# HG changeset patch
# User fgiacomoni
# Date 1538663834 14400
# Node ID be582bcd6585ab412f550625beb071948a6c5c18

 Master branch Updating - - Fxx

diff -r 000000000000 -r be582bcd6585 README.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/README.txt	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,66 @@
+## ****** match_mass environnemnt : ****** ##
+# version December 2014 M Landi / M Petera / JF Martin
+
+## --- PERL compilator / libraries : --- ##
+$ perl -v
+This is perl, v5.10.1 (*) built for x86_64-linux-thread-multi
+--
+
+# libs CORE PERL : 
+use strict ;
+use warnings ;
+use Carp qw (cluck croak carp) ;
+use Data::Dumper ;
+use Getopt::Long ;
+use POSIX ;
+use List::Util qw( min max );
+use FindBin ;
+
+# libs CPAN PERL : 
+use Math::BigFloat;
+use LWP::Simple;
+use LWP::UserAgent;
+use URI::URL;
+use SOAP::Lite;
+use Encode;
+use HTML::Template ;
+use Net::SSL ;
+use Data::Dumper ;
+use REST::Client;	
+use JSON;
+
+# libs pfem PERL : libs are now integrated
+use lib::conf  qw( :ALL ) ;
+use lib::csv  qw( :ALL ) ;
+use lib::json  qw( :ALL ) ;
+
+## --- R bin and Packages : --- ##
+NA
+
+## --- Binary dependencies --- ##
+Uses a local database : "inhouse.tsv" in some cases
+"create_inhouse_bank.pl" : allows to recreate "inhouse.tsv"
+--
+
+## --- Config : --- ##
+Edit the following lines in the config file : conf_pf.ini
+with  your personal token used to manage and allow Pforest access / the WS PeakForest url
+PF_GLOBAL_TOKEN
+PF_WS_URL=https://rest.peakforest.org
+PF_REST_QUERY_CLEAN_RANGE=/spectra/lcms/peaks/get-range-clean
+
+--
+
+## --- XML HELP PART --- ##
+one image : 
+bank_inhouse.png
+--
+
+## --- DATASETS --- ##
+No data set ! waiting for galaxy pages
+--
+
+## --- ??? COMMENTS ??? --- ##
+Uses a local database : "inhouse.tsv" in some cases
+"create_inhouse_bank.pl" : allows to recreate "inhouse.tsv"
+--
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 bank_inhouse.pl
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/bank_inhouse.pl	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,493 @@
+#!perl
+
+## script  : bank_inhouse.pl
+#=============================================================================
+#                              Included modules and versions
+#=============================================================================
+## Perl modules
+use strict ;
+use warnings ;
+use Carp qw (cluck croak carp) ;
+
+use Data::Dumper ;
+use Getopt::Long ;
+use POSIX ;
+use List::Util qw( min max );
+use FindBin ; ## Allows you to locate the directory of original perl script
+
+## Specific Modules
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+use lib::bih qw( :ALL ) ;
+
+## PFEM Perl Modules
+use lib::conf  qw( :ALL ) ;
+use lib::csv  qw( :ALL ) ;
+
+## Initialized values
+my ( $help ) = ( undef ) ;
+my ( $mass ) = ( undef ) ;
+my ( $masses_file, $nbline_header, $col_mass ) = ( undef, undef, undef ) ;
+my ( $col_rt, $manual_rt, $rt_delta, $mz_delta_type, $mz_delta, $rtdb ) = ( undef, undef, undef, undef, undef, undef ) ;
+my ( $mode, $tissues, $bank_in, $bank_name, $col_mzdb) = ( undef, undef, undef, undef, undef ) ;
+my ( $out_tab, $out_html, $out_xls, $out_json, $out_full ) = ( undef, undef, undef, undef, undef ) ;
+my ($rest_mode) = ('no') ;
+
+my ( $verbose ) = ( 2 ) ; ## verbose level is 3 for debugg
+
+#=============================================================================
+#                                Manage EXCEPTIONS
+#=============================================================================
+
+&GetOptions ( 	"h"					=> \$help,				# HELP
+				"masse:s"			=> \$mass,				## option : one masse
+				"input:s"			=> \$masses_file,		## option : path to the input
+				"rest:s"			=> \$rest_mode,			## option : allow uses of peakforest rest service 
+				"nbheader:i"		=> \$nbline_header,		## numbre of header line present in file
+				"colrt:i"			=> \$col_rt,			## Column retention time for retrieve formula/masses list in tabular file
+				"rt:s"				=> \$manual_rt,			## Retention time for manual masses list
+				"rt_delta:f"		=> \$rt_delta,			## Delta for retention time
+				"colmass:i"			=> \$col_mass,			## Column id for retrieve formula list in tabular file
+				"mz_delta:s"		=> \$mz_delta_type,		## Delta type for masses
+				"mass_delta:f"		=> \$mz_delta,			## Delta for masses
+				"mode:s"			=> \$mode,				## Molecular species (positive/negative/neutral) 
+				"tissues:s"			=> \$tissues,			## Restricted to certain characterization and localization (blood/plasma/urine/peptide) 
+				"bank_in:s"			=> \$bank_in,			## option : path to a personal data bank
+				"bank_name:s"		=> \$bank_name,			## option : name of the bank
+				"mzdb:i"			=> \$col_mzdb,			## Column number in which is the masses of the personal data bank
+				"rtdb:i"			=> \$rtdb,				## Column number in which is the retention time of the personal data bank
+				"outputJson:s"		=> \$out_json,			## option : path to the ouput (results)
+				"outputXls:s"		=> \$out_xls,			## option : path to the ouput (tabular : results )
+				"outputTab:s"		=> \$out_tab,			## path to the ouput (tabular : input+results (1 col) )
+				"outputView:s"		=> \$out_html,			## option : path to the results view (output2)
+				"outputFull:s"		=> \$out_full,			## path to the ouput (tabular : input+results (x col) )
+			) ;
+
+#=============================================================================
+#                                EXCEPTIONS
+#=============================================================================
+## if you put the option -help or -h function help is started
+if ( defined $help ) { &help() ; }
+
+#=============================================================================
+#                                MAIN SCRIPT
+#=============================================================================
+
+
+print "The bank_inhouse program is launched as:\n";
+print "./bank_inhouse.pl " ;
+print "--h "  if (defined $help) ;
+print "--masse $mass " if (defined $mass) ;
+print "--input $masses_file " if (defined $masses_file) ;
+print "--rest $rest_mode " if (defined $rest_mode) ;
+print "--nbheader $nbline_header " if (defined $nbline_header) ;
+print "--colrt $col_rt " if (defined $col_rt) ;
+print "--rt $manual_rt " if (defined $manual_rt) ;
+print "--colmass $col_mass " if (defined $col_mass) ;
+print "--mz_delta $mz_delta_type " if (defined $mz_delta_type) ;
+print "--mass_delta $mz_delta " if (defined $mz_delta) ;
+print "--mode $mode " if (defined $mode) ;
+print "--tissues $tissues " if (defined $tissues) ;
+print "--bank_in $bank_in " if (defined $bank_in) ;
+print "--bank_name $bank_name " if (defined $bank_name) ;
+print "--mzdb $col_mzdb " if (defined $col_mzdb) ;
+print "--rtdb $rtdb " if (defined $rtdb) ;
+print "--outputJson $out_json " if (defined $out_json) ;
+print "--outputXls $out_xls " if (defined $out_xls) ;
+print "--outputTab $out_tab " if (defined $out_tab) ;
+print "--outputView $out_html " if (defined $out_html) ;
+print "--outputFull $out_full " if (defined $out_full) ;
+print "\n" ;
+
+
+
+## -------------- Conf file ------------------------ :
+my ( $CONF, $PF_CONF ) = ( undef, undef ) ;
+foreach my $conf ( <$binPath/*.cfg> ) {
+	my $oConf = lib::conf::new() ;
+	$CONF = $oConf->as_conf($conf) ;
+}
+
+## PForest dedicated conf
+if ((defined $rest_mode ) and ( $rest_mode eq "yes" )) {
+	foreach my $ini ( <$binPath/*.ini> ) {
+		my $oConf = lib::conf::new() ;
+		$PF_CONF = $oConf->as_conf($ini) ;
+	}
+}
+
+## --------------- Global parameters ---------------- :
+my ( $masses, $rt, $results, $header_choice ) = ( undef, undef, undef, undef, undef ) ; ##############
+my ( $complete_rows, $nb_pages_for_html_out ) = ( undef, 1 ) ;
+
+my $oBih = lib::bih::new() ;
+
+## --------------- retrieve input data -------------- :
+
+## manage manual mass(es)
+if ( ( defined $mass ) and ( $mass ne "" ) ) {
+	$mass =~ tr/,/./ ;
+	@$masses = split(' ', $mass);
+	if  ( ( defined $manual_rt ) and ( $manual_rt ne "" ) ) {
+		$manual_rt =~ tr/,/./ ;
+		@$rt = split(' ', $manual_rt) ;
+		if  ( $#$rt != $#$masses) {	croak "You have not given the same number of masses and retention time\n" ;	}
+	}
+} ## END IF
+
+## manage csv file containing list of masses
+elsif ( ( defined $masses_file ) and ( $masses_file ne "" ) and ( -e $masses_file ) ) {
+	## parse all csv for later : output csv build
+	my $ocsv_input  = lib::csv->new() ;
+	my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ;
+	$complete_rows = $ocsv_input->parse_csv_object($complete_csv, \$masses_file) ;
+	
+	## parse csv ids and masses
+	my $ocsv = lib::csv->new() ;
+	my $csv = $ocsv->get_csv_object( "\t" ) ;
+	if ( ( defined $nbline_header ) and ( $nbline_header > 0 ) ) { $header_choice = 'yes' ; }	else{ $header_choice = 'no' ; }
+	$masses = $ocsv->get_value_from_csv_multi_header( $csv, $masses_file, $col_mass, $header_choice, $nbline_header ) ; ## retrieve mz values on csv
+	if  ( ( defined $col_rt ) and ( $col_rt ne "" ) ) {
+		$rt = $ocsv->get_value_from_csv_multi_header( $csv, $masses_file, $col_rt, $header_choice, $nbline_header ) ; ## retrieve rt values on csv
+	}
+}
+
+# --------------- retrieve personal data bank input -------------- :
+
+my ($complete_bank, $bank_head) = (undef, undef) ;
+
+## check up $bank_in and parse
+if ( ( defined $bank_in ) and ( $bank_in ne '' ) and ( -e $bank_in ) and ( defined $col_mzdb ) and ( $col_mzdb ne '' ) ) {
+	## parse csv bank_in
+	my $ocsv_input  = lib::csv->new() ;
+	my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ;
+	($complete_bank, $bank_head)= $oBih->parse_bank_interest($complete_csv, \$bank_in, $col_mzdb-1) ;
+}
+## manage rest service of PeakForest and set $masses and $rt with given databases
+elsif  ( ( defined $rest_mode ) and ( $rest_mode eq "yes" ) ) {
+	$bank_name = "PeakForest";
+	if ( ( $PF_CONF->{PF_GLOBAL_TOKEN} ne "" ) and ( $PF_CONF->{PF_WS_URL} ne "" ) ) {
+		## init
+		my $opfws = lib::bih::new() ;
+		## get min and max values of user query
+		my ($min, $max) = (0, 0) ;
+			
+		if ( ( defined $masses ) and ( scalar (@{$masses}) > 0 ) ) {
+			$min = min @{$masses} ;
+			$max = max @{$masses} ;
+#			print Dumper $masses ;
+			## TODO: adjust min and max with delta
+			my ( $min_delta, undef ) = $opfws->mz_delta_conversion(\$min, \$mz_delta_type, \$mz_delta) ;
+			my ( undef, $max_delta ) = $opfws->mz_delta_conversion(\$max, \$mz_delta_type, \$mz_delta) ;
+
+			## get clean range database json from PForest WS : 
+			my $pf_json = $opfws->db_pforest_get_clean_range($PF_CONF->{PF_WS_URL}, $PF_CONF->{PF_REST_QUERY_CLEAN_RANGE}, $$min_delta, $$max_delta, $mode) ;
+			if (defined $pf_json) {
+				($complete_bank, $bank_head) = $opfws->map_pfjson_bankobject($pf_json) ;
+			}
+		} ## End IF
+		else {
+			croak "Fatal error : your mass list is empty\n" ;
+		}
+	} ## End IF PForest param
+	else {	croak "Can't work : missing a PForest REST paramater\n" ;	}
+} ## End ELSIF PForest
+elsif ( ( defined $CONF->{'INHOUSE_BANK'} ) and ( $CONF->{'INHOUSE_BANK'} ne '' ) ) {
+	$col_mzdb = 4;
+	$bank_name = "internal_bank";
+	if  ( (defined $col_rt) or (defined $manual_rt) or (defined $rt_delta) ) {	croak "No retention time in the internal bank, please use your own bank\n" ;	}
+	my $html_file = $binPath.'/'.$CONF->{'INHOUSE_BANK'} ;
+	if ( -e $html_file ) {
+		## parse all csv for later : output csv build
+		my $ocsv_input  = lib::csv->new() ;
+		my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ;
+		($complete_bank, $bank_head)= $oBih->parse_bank_interest($complete_csv, \$html_file, $col_mzdb-1) ;
+	}
+	else {	croak "Can't work : no local inhouse bank name '$html_file'\n" ;	}
+}
+else {	croak "Can't work : missing an inhouse bank\n" ;	}
+
+## ---------------- launch queries -------------------- :
+
+my $ionization = undef ;
+my $characterization = undef ;
+my $valH = undef ;
+my $bank = undef ;
+my $search_condition = undef ;
+
+#($valH, $ionization)= $oBih->manage_mode($mode, $CONF->{'PROTON_MZ'}, $CONF->{'ELECTRON_MZ'}) ;
+
+######### Manage Tissues ##############################################################################
+#if ( ( !defined $tissues ) or ( $tissues eq '' ) or ( $tissues eq 'none' ) ) {
+#	$characterization = ['None'];
+#} else {	@{$characterization} = split(",", $tissues);	}
+######### End #########################################################################################
+
+#if ( (@$ionization = (['None'])) and (@$characterization = (['None']))) {	$bank = $complete_bank;	}
+#else  {	$bank = FILTER LA BANK;	}
+$bank = $complete_bank;
+$valH = 0 ;
+
+#if ( ( defined $mz_delta ) and ( $mz_delta > 0 ) and ( defined $ionization ) and ( defined $characterization ) and ( defined $masses ) and ( defined $ids ) and ( defined $bank ) ) {
+#	$search_condition = "Search params : Molecular specie = $mode / delta = $mz_delta / characterization and localization = $tissues \n bank file = $bank_in" ;
+
+if ( ( defined $mz_delta ) and ( $mz_delta >= 0 ) and ( defined $masses ) and ( defined $bank ) ) {
+	## prepare masses list and execute query
+	$results = [] ;
+	if ($mz_delta != 0){
+		my @sort_masses_bank = sort { $a <=> $b } keys(%$bank);
+		
+		my $compt_masses = 0;
+		foreach my $mz (@$masses) {
+			$compt_masses++;
+			my ($MZmessage) = $oBih->check_interval($mz, 0, 10000) ;
+			if ( $MZmessage eq 'OK' ){
+				my ( $min, $max ) = $oBih->mz_delta_conversion(\$mz, \$mz_delta_type, \$mz_delta) ;
+				
+				my ($marj_inf) = $oBih->dichotomi_search(\@sort_masses_bank, $min) ;
+				my ($marj_sup) = $oBih->dichotomi_search(\@sort_masses_bank, $max) ;
+				
+				my $result = [];
+				if($$marj_inf != $$marj_sup){
+					if ($$marj_inf == -1){	$$marj_inf=0;	}
+					for (my $i=$$marj_inf; $i<$$marj_sup; $i++){
+						my $bank_tmp = $$bank{$sort_masses_bank[$i]};
+						if  ( ( defined $rt ) and ( $rt ne "" ) ) {
+							my ($RTmessage) = $oBih->check_interval($$rt[$compt_masses-1], 0, 60) ;
+							if ( $RTmessage eq 'OK' ){
+								my $bank_rt = [];
+								for(my $nb_rt=0; $nb_rt<=$#$bank_tmp; $nb_rt++){
+									my ($RTbank) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], 0, 60) ;
+									my ($RTsearch) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], $$rt[$compt_masses-1]-$rt_delta, $$rt[$compt_masses-1]+$rt_delta) ;
+									if ( ($RTbank eq 'OK') and ($RTsearch eq 'OK') ){
+										push (@$result, $bank_tmp->[$nb_rt]) ;
+									}
+									elsif ($RTbank ne 'OK'){	croak "At least one retention time in bank is not valid : $RTbank\n" ;	}
+								}
+							}
+							else {	croak "The $compt_masses th analyzed retention time : $RTmessage\n" ;	}
+						}
+						else {	push (@$result, @$bank_tmp) ;	}
+					}
+				}
+				else{	$result = [];	}
+				push (@$results, [@$result]) ;
+			}
+			else {	croak "The $compt_masses th value : $MZmessage\n" ;	}
+			print Dumper $results if ($verbose>2) ;
+		} ## End FOREACH MZ queried
+	} ## End IF
+	else{
+		my $result = [];
+		my $compt_masses = 0;
+		foreach my $mz (@$masses) {
+			$compt_masses++;
+			my ($MZmessage) = $oBih->check_interval($mz, 0, 10000) ;
+			if ( $MZmessage eq 'OK' ){
+				if ($$bank{$mz}){
+					my $bank_tmp = $$bank{$mz};
+					if  ( ( defined $rt ) and ( $rt ne "" ) ) {
+						my ($RTmessage) = $oBih->check_interval($$rt[$compt_masses-1], 0, 60) ;
+						if ( $RTmessage eq 'OK' ){my $bank_rt = [];
+							for(my $nb_rt=0; $nb_rt<=$#$bank_tmp; $nb_rt++){
+								my ($RTbank) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], 0, 60) ;
+								my ($RTsearch) = $oBih->check_interval($bank_tmp->[$nb_rt]->[$rtdb-1], $$rt[$compt_masses-1]-$rt_delta, $$rt[$compt_masses-1]+$rt_delta) ;
+								if ( ($RTbank eq 'OK') and ($RTsearch eq 'OK') ){
+									push (@$bank_rt, $bank_tmp->[$nb_rt]) ;
+								}
+								elsif ($RTbank ne 'OK'){	croak "At least one retention time in bank is not valid : $RTbank\n" ;	}
+							}
+							if ($#$bank_rt>=0){		## If there is at least one result
+								push (@$result, $bank_rt) ;
+							}	## else $bank_rt = [] as defined
+						}
+						else {	croak "The $compt_masses th analyzed retention time : $RTmessage\n" ;	}
+					}
+					else {	push (@$result, [$bank_tmp]) ;	}
+				}
+				else {	push (@$result, [] ) ;	}
+			}
+			else {	croak "The $compt_masses th mass : $MZmessage\n" ;	}
+		}
+		$results = [@$results, @$result] ;
+	}
+}
+else {
+	croak "Can't work : missing paramaters (list of ids, masses, delta, ionization, characterization or inhouse_bank)\n" ;
+} ## end ELSE
+
+
+if  ( ( defined $rt ) and ( $rt ne "" ) ) {	unshift (@$bank_head, ("DELTA_mass(".$mz_delta.$mz_delta_type.")", "MASS_Result", "DELTA_RT(".$rt_delta.")", "RT_Result")) ;	}
+else {	unshift (@$bank_head, ("DELTA_mass(".$mz_delta.$mz_delta_type.")", "MASS_Result")) ;	}
+
+
+## -------------- Produce JSON output ------------------ :
+if ( ( defined $out_json ) and ( defined $results ) ) {
+	open(JSON, '>:utf8', "$out_json") or die "Cant' create the json file\n" ;
+	print JSON Dumper $results;
+	close(JSON) ;
+} ## END IF
+else {
+	#croak "Can't create a json output for Massbank : no result found or your output file is not defined\n" ;
+}
+
+## -------------- Produce HTML output ------------------ :
+
+#if ( ( defined $out_html ) and ( defined $results ) ) {
+#	## Uses N mz and theirs entries per page (see config file).
+#	# how many pages you need with your input mz list?
+#	$nb_pages_for_html_out = ceil( scalar(@{$masses} ) / $CONF->{HTML_ENTRIES_PER_PAGE} )  ;
+#	
+#	my $oHtml = lib::bih::new() ;
+#	my ($tbody_object) = $oHtml->set_html_tbody_object( $nb_pages_for_html_out, $CONF->{HTML_ENTRIES_PER_PAGE} ) ;
+#	($tbody_object) = $oHtml->add_mz_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $ids) ;
+#	($tbody_object) = $oHtml->add_entries_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $results) ;
+#	print Dumper $tbody_object;exit;
+#	my $output_html = $oHtml->write_html_skel(\$out_html, $tbody_object, $nb_pages_for_html_out, $search_condition, $CONF->{'HTML_TEMPLATE'}, $CONF->{'JS_GALAXY_PATH'}, $CONF->{'CSS_GALAXY_PATH'}) ;
+#	
+#} ## END IF
+#else {	croak "Can't create a HTML output for HMDB : no result found or your output file is not defined\n" ;	}
+
+## -------------- Produce XLS like output ------------------ :
+if ( ( defined $out_xls ) and ( defined $results ) ) {
+	my $oxls = lib::bih::new() ;
+	$oxls->write_excel_like_mass($masses, $mz_delta_type, $mz_delta, $col_mzdb, $rt, $rt_delta, $rtdb, $results, $out_xls, $bank_head) ;
+} ## END IF
+else {	croak "Can't create a tabular output for BiH (like xls): no result found or your output file is not defined\n" ;	}
+
+## -------------- Produce CSV output ------------------ :
+if (defined $results) {
+	if ( defined $masses_file ) {	# produce a csv based on METLIN format
+		if ( defined $out_tab ) {
+			my $sep = "#";
+			my $ocsv = lib::bih::new() ;
+			my $lm_matrix = undef ;
+			if ( ( $header_choice eq 'yes' ) and ( defined $nbline_header ) and ( $nbline_header > 0 )) {
+				my $header = join("$sep", @$bank_head);
+				my $out_head = "BiH_".$bank_name."_(".$header.")";
+				$lm_matrix = $ocsv->set_lm_matrix_object($out_head, $masses, $col_mzdb, $results, $rt, $rtdb, $bank_head, $sep ) ;
+				$lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, $nbline_header-1) ;
+			}
+			elsif ( ( $header_choice eq 'no' ) or ( $nbline_header <= 0 )) {
+				$lm_matrix = $ocsv->set_lm_matrix_object(undef, $masses, $col_mzdb, $results, $rt, $rtdb, $bank_head, $sep ) ;
+				$lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, 0) ;
+			}
+			else {	croak "The number of header line is not identifiable\n" ;	}
+			$ocsv->write_csv_skel(\$out_tab, $lm_matrix) ;
+		}
+		else {	croak "Can't create a tabular output for BiH : your output file is not defined\n" ;	}
+	}
+	elsif (defined $mass) { } ## no csv output for manual masses
+	else {	croak "the input format is not identifiable or your output file is not defined\n" ;	}
+} ## END IF
+else {	croak "Can't create a tabular output for BiH : no result found\n" ;	}
+
+## -------------- Produce Full output ------------------ :
+if (defined $results) {
+	if ( defined $masses_file ) {
+		if ( defined $out_full ) {
+			my $sep = "\t";
+			my $ofull = lib::bih::new() ;
+			if ( ( $header_choice eq 'yes' ) and ( defined $nbline_header ) and ( $nbline_header > 0 )) {
+				$ofull->write_full_excel_like($complete_rows, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rt, $rt_delta, $rtdb, $results, $out_full, $nbline_header, $bank_head, "BiH_$bank_name") ;
+			}
+			elsif ( ( $header_choice eq 'no' ) or ( $nbline_header <= 0 )) {
+				$ofull->write_full_excel_like($complete_rows, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rt, $rt_delta, $rtdb, $results, $out_full, 0, undef, undef) ;
+			}
+			else {	croak "The number of header line is not identifiable\n" ;	}
+		}
+	}
+	elsif (defined $mass) { } ## no csv output for manual masses
+	else {	croak "the input format is not identifiable or your output file is not defined\n" ;	}
+} ## END IF
+else {	croak "Can't create a full output for BiH : no result found\n" ;	}
+
+
+#====================================================================================
+# Help subroutine called with -h option
+# number of arguments : 0
+# Argument(s)        :
+# Return           : 1
+#====================================================================================
+sub help {
+	print STDERR "
+bank_inhouse
+
+# bank_inhouse is a script to query a in house bank (file) using chemical mass and return a list of common names.
+# Input : mass or list of masses
+# Author : Marion LANDI and Franck Giacomoni (for the Rest part)
+# Email : franck.giacomoni\@clermont.inra.fr
+# Version : 1.1
+# Created : 15/10/2014
+# Updated : 15/12/2015
+USAGE :		 
+		bank_inhouse.pl -masse [mass]
+		 		-tolerance [Delta of mass (Da)] -mode [Ionization type: positive/negative/neutral] 
+		 		-tissues [Restricted to certain tissues] -- optionnal
+		 		-bank_in [file for in personal house bank] -- optionnal
+		 		-outputTab [output file tabular format] -outputView [output file html format]
+				-verbose
+		OR				
+		bank_inhouse.pl -input [path to list of masses file]
+			-nbHeader [nb of lines of headers : 0-n] -colId [Ids colunm number in input file] -colmass [masses col] -colrt [RT col]
+ 			-tolerance [Delta of mass (Da)] -mode [molecular type: positive/negative/neutral]
+ 			-bank_in [file for in house bank]
+ 			-tissues [Restricted to certain tissues] 
+ 			-outputTab [output file tabular format] -outputView [output file html format]
+		 				
+		OR 
+		bank_inhouse.pl	-masse [mass]
+				-rest [get the PeakForest ref db : yes|no]
+				-mz_delta [Delta type for mass (Da or PPM)] -mass_delta [Delta for mass (Da or PPM)] -mode [molecular type: positive/negative/neutral]
+		 		-outputXls [output xls format]
+		 		
+		Others output formats: 		
+		 		-outputJson [output json format]  -outputFull [output format is input+res]
+		";
+	exit(1);
+}
+
+## END of script - M Landi 
+
+__END__
+
+=head1 NAME
+
+ bank_inhouse.pl -- script for
+
+=head1 USAGE
+
+ bank_inhouse.pl -precursors -arg1 [-arg2] 
+ or bank_inhouse.pl -help
+
+=head1 SYNOPSIS
+
+This script manage ... 
+
+=head1 DESCRIPTION
+
+This main program is a ...
+
+=over 4
+
+=item B<function01>
+
+=item B<function02>
+
+=back
+
+=head1 AUTHOR
+
+Marion LANDI E<lt>marion.landi@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 15 / 10 / 2014
+
+version 2 : 21 / 11 / 2014
+
+=cut
diff -r 000000000000 -r be582bcd6585 bank_inhouse.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/bank_inhouse.xml	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,446 @@
+<tool id="bank_inhouse" name="bank_inhouse" version="1.1.3">
+  <description>
+        search by accurate mass (and by Retention time) on a local bank
+  </description>
+  
+  <requirements>
+  	<requirement type="package" version="2.90">perl-json</requirement>
+  	<requirement type="package" version="1.97">perl-text-csv</requirement>
+  	<requirement type="package" version="6.15">perl-lwp-simple</requirement>
+  	<requirement type="package" version="1.74">perl-uri</requirement>
+  	<requirement type="package" version="1.19">perl-soap-lite</requirement>
+  	<requirement type="package" version="2.97">perl-html-template</requirement>
+  	<requirement type="package" version="0.428">perl-list-moreutils</requirement>
+  	<requirement type="package" version="6.15">perl-libwww-perl</requirement>
+  </requirements>
+  <stdio>
+      <exit_code range="1" level="fatal" />
+  </stdio>
+  
+   <command><![CDATA[
+      perl $__tool_directory__/bank_inhouse.pl
+      
+      #if str($input_type.choice) == "YES":
+         -input "${input_type.variableMetadata_in}"
+         #if str($input_type.header.header_choice) == "YES":
+             -nbheader "${input_type.header.nbheader}"
+         #end if
+         
+         -colmass "${input_type.colmass}"
+         #if str($input_type.use_file_rt.rt_file_choice) == "YES":
+             -colrt "${input_type.use_file_rt.colrt}"
+             -rt_delta "${input_type.use_file_rt.rt_file_delta}"
+         #end if
+      #else:
+         #if str($input_type.use_rt.rt_choice) == "YES":
+             -rt "${input_type.use_rt.rt}"
+             -rt_delta "${input_type.use_rt.rt_delta}"
+         #end if
+         -masse "${input_type.masse}"
+      #end if
+      
+      -mz_delta "${mz_delta_type.mz_delta}"
+      -mass_delta "${mz_delta_type.mass_delta}"
+
+      #if str($bank_type.perso_bank) == "YES":
+         -bank_in "${bank_type.bank_in}" -bank_name "${bank_type.bank_in.name}"
+         -mzdb "${bank_type.mzdb}"
+         #if str($bank_type.bank_rt.bank_rt_choice) == "YES":
+             -rtdb "${bank_type.bank_rt.rtdb}"
+         #end if
+      #end if
+
+      #if str($input_type.choice) == "YES":
+          -outputTab "$variableMetadata_out"
+          -outputXls "$bankInhouseResXls_filein"
+          #if str($outfiles) == "YES":
+            -outputFull "$variableMetadata_full_out"
+          #end if
+      #else:
+          -outputXls "$bankInhouseResXls_manualin"
+      #end if
+      
+      #if str($outfiles) == "YES":
+        -outputJson "$Json"
+      #end if
+  ]]></command>
+  
+  <inputs>
+      <conditional name="input_type">
+        <param name="choice" type="select" display="radio" label="* Would you use a file?" help="if 'NO' is selected then one or more mass(es) must be entered manually">
+          <option value="NO">NO</option>
+          <option value="YES" selected="true">YES</option>
+        </param>
+        <when value="YES">
+          <param name="variableMetadata_in" type="data" label="FILE OF MASSES (format: tabular)" help="Generally variable metadata file" format="tabular" />
+          
+          <conditional name="header">
+            <param name="header_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Do you have a header?" help="if 'YES' is selected then enter your number of header lines" />
+            <when value="YES">
+              <param name="nbheader" type="integer" label="Number of header lines" value="1" min="1" max="10" help="number of lines not containing masses"/>
+            </when>
+            <when value="NO"/>
+          </conditional>
+          
+          <conditional name="use_file_rt">
+            <param name="rt_file_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Would you use retention time (RT)?" help="Do you have retention times in your bank? In your analyzed file? Would you use it?" />
+            <when value="YES">
+              <param name="colrt" label="Column of retention time (RT)" type="data_column" data_ref="variableMetadata_in" accept_default="true" />
+              <param name="rt_file_delta" label="Delta of retention time (RT) (in minutes)" type="float" value="0.1" min="0" max="60" help="Default value is 0.1min"/>
+            </when>
+            <when value="NO"/>
+          </conditional>
+          
+          <param name="colmass" label="Column of masses (MZ)" type="data_column" data_ref="variableMetadata_in" accept_default="true" />
+        </when>
+        <when value="NO">
+          <conditional name="use_rt">
+            <param name="rt_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Would you use retention time (RT)?" help="Do you have retention times in your bank? Would you use it?" />
+            <when value="YES">
+              <param name="rt" label="retention time (RT) to submit" type="text" size="10" help="For a rt list, writes : rt1 rt2 rt3. Your values ​​must be separated by spaces. You should use dot (.) like decimal separator"/>
+              <param name="rt_delta" label="Delta of retention time (RT) (in minutes)" type="float" value="0.1" min="0" max="60" help="Default value is 0.1min"/>
+            </when>
+            <when value="NO"/>
+          </conditional>
+          
+          <param name="masse" type="text" label="Mass (MZ) to submit"  size="20" help="For a masses list, writes : m1 m2 m3. Your values ​​must be separated by spaces. You should use dot (.) like decimal separator"/>
+        </when>
+      </conditional>
+      
+      <conditional name="mz_delta_type">
+        <param name="mz_delta" label="Delta type" type="select"  display="radio" help="">
+          <option value="Da">Da</option>
+          <option value="ppm">ppm</option>
+        </param>
+        <when value="Da">
+          <param name="mass_delta" label="Delta of mass (MZ) (in Dalton)" type="float" value="0.005" min="0" max="3000" help="Default value is 0.005 Da"/>
+        </when>
+        <when value="ppm">
+          <param name="mass_delta" label="Delta of mass (MZ) (in ppm)" type="float" value="5" min="0" max="300000" help="Default value is 5 ppm"/>
+        </when>
+      </conditional>
+      
+      <conditional name="bank_type">
+         <param name="perso_bank" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="* Use personal data bank?" help="if 'NO' is selected an internal file will be used! It doesn't contain a retention time (RT)" />
+         <when value="YES">
+            <param name="bank_in" type="data" label="BANK FILE" help="" format="tabular" />
+            <param name="mzdb" label="Column of masses (MZ) in Bank file" type="data_column" data_ref="bank_in" accept_default="true" />
+            <conditional name="bank_rt">
+              <param name="bank_rt_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Have you used the retention time (RT) for your input data?" help="Do you have retention times in your bank? In your analyzed data? Would you use it?" />
+              <when value="YES">
+                <param name="rtdb" label="Column of retention time (RT) in Bank file" type="data_column" data_ref="bank_in" accept_default="true" />
+              </when>
+              <when value="NO"/>
+            </conditional>
+         </when>
+         <when value="NO"/>
+    </conditional>
+    <param name="outfiles" type="select" label="* Would you more output?" display="radio" help="if 'YES' is selected then 2 more files will be generate (JSON + variableMetadata and bank full column)">
+        <option value="YES">YES</option>
+        <option value="NO" selected="true">NO</option>
+    </param>
+  </inputs>
+  
+  <outputs>
+    <data name="variableMetadata_out" format="tabular" label="${tool.name}_${input_type.variableMetadata_in.name}_TSV" >
+      <filter>(input_type['choice'] == 'YES')</filter>
+    </data>
+    <data name="bankInhouseResXls_filein" format="tabular" label="${tool.name}_${input_type.variableMetadata_in.name}_XLS" >
+      <filter>(input_type['choice'] == 'YES')</filter>
+    </data>
+    <data name="variableMetadata_full_out" format="tabular" label="${tool.name}_${input_type.variableMetadata_in.name}_full_TSV" >
+      <filter>(input_type['choice'] == 'YES')</filter>
+      <filter>(outfiles == 'YES')</filter>
+    </data>
+    <data name="bankInhouseResXls_manualin" format="tabular" label="${tool.name}_manual_XLS" >
+      <filter>(input_type['choice'] == 'NO')</filter>
+    </data>
+    <data name="Json" format="vjson" label="${tool.name}_Json" >
+      <filter>(outfiles == 'YES')</filter>
+    </data>
+    <!--<data name="View" format="html" label="${tool.name}_View" ></data>-->
+  </outputs>
+  
+  <tests>
+    <test>
+      <param name="choice" value="NO"/>
+      <param name="rt_choice" value="NO"/>
+      <param name="masse" value="422.0849114 18.0105647 535.3181236 209.987659 98.952389"/>
+      <param name="mz_delta" value="Da"/>
+      <param name="mass_delta" value="0.005"/>
+      <param name="perso_bank" value="NO"/>
+      <param name="outfiles" value="NO"/>
+      <output name="bankInhouseResXls_manualin" file="out_test1.tabular"/>
+    </test>
+    <test>
+      <param name="choice" value="YES"/>
+      <param name="variableMetadata_in" value="in_test2.tabular"/>
+      <param name="header_choice" value="YES"/>
+      <param name="nbheader" value="1"/>
+      <param name="rt_file_choice" value="NO"/>
+      <param name="colmass" value="2"/>
+      <param name="mz_delta" value="Da"/>
+      <param name="mass_delta" value="0.005"/>
+      <param name="perso_bank" value="NO"/>
+      <param name="outfiles" value="NO"/>
+  
+      <output name="variableMetadata_out" file="out_test2a.tabular"/>
+      <output name="bankInhouseResXls_filein" file="out_test2b.tabular"/>
+    </test>
+    <!--
+    <test>
+      <param name="choice" value="YES"/>
+      <param name="variableMetadata_in" value="in_test3.tabular"/>
+      <param name="header_choice" value="YES"/>
+      <param name="nbheader" value="1"/>
+      <param name="rt_file_choice" value="NO"/>
+      <param name="colmass" value="2"/>
+      <param name="mz_delta" value="Da"/>
+      <param name="mass_delta" value="0.005"/>
+      <param name="perso_bank" value="NO"/>
+      <param name="outfiles" value="NO"/>
+  
+      <output name="variableMetadata_out" file="out_test3a.tabular"/>
+      <output name="bankInhouseResXls_filein" file="out_test3b.tabular"/>
+    </test>
+    <test>
+      <param name="choice" value="YES"/>
+      <param name="variableMetadata_in" value="in_test4.tabular"/>
+      <param name="header_choice" value="YES"/>
+      <param name="nbheader" value="1"/>
+      <param name="rt_file_choice" value="YES"/>
+      <param name="colrt" value="10"/>
+      <param name="rt_file_delta" value="0.2"/>
+      <param name="colmass" value="8"/>
+      <param name="mz_delta" value="Da"/>
+      <param name="mass_delta" value="0"/>
+      <param name="perso_bank" value="YES"/>
+      <param name="bank_in" value="in_test4.tabular"/>
+      <param name="mzdb" value="8"/>
+      <param name="bank_rt_choice" value="YES"/>
+      <param name="rtdb" value="10"/>
+      <param name="outfiles" value="YES"/>
+  
+      <output name="variableMetadata_out" file="out_test4a.tabular"/>
+      <output name="bankInhouseResXls_filein" file="out_test4b.tabular"/>
+      <output name="variableMetadata_full_out" file="out_test4c.tabular"/>
+      <output name="Json" file="out_test4d.vjson"/>
+    </test>-->
+  </tests>
+  
+  <help><![CDATA[
+
+.. class:: infomark
+
+**Authors**
+  | Marion Landi - FLAME ; PFEM ; INRA ; MetaboHUB (for original version and development of this Perl script and for xml interface and Perl wrapper)
+
+---------------------------------------------------
+
+
+==============
+bank_inhouse
+==============
+
+-----------
+Description
+-----------
+
+ | Search informations on a local bank with one or more mass(es), with or without retention time, in a file or entered manually
+
+
+Keywords
+========
+
+Masses + rt to inhouse info
+
+
+-----------------
+Workflow position
+-----------------
+
+
+.. image:: bank_inhouse.png
+        :width: 800
+
+
+-----------
+Input files
+-----------
+
+
++-----------------------------+-----------+
+| Parameter : num + label     |  Format   |
++=============================+===========+
+| 1 : File of masses          |  tabular  |
++-----------------------------+-----------+
+| 2 : personal data bank file |  tabular  |
++-----------------------------+-----------+
+
+File of masses (Generally variable metadata file) must have at least the 2 following column : 
+    | Id : column to identify masses in the tsv input file
+    | Masses : column with all the masses in the tsv input file
+    | RT : (optional) column with all the retention time in the tsv input file
+    | 
+
+personal data bank file must contain certain columns :
+    | Masses (Mandatory) and RT (optional)
+    | 
+
+----------
+Parameters
+----------
+
+Would you use a file
+    | Choose whether the masses are in a file or entered manually
+    | YES (default) : parameters **File of masses ; Do you have a header ; Column of Id ; Column of masses** are visible
+    | NO : parameter **Mass to submit** is visible
+    |
+
+
+If 'use file'='YES'
+
+File of masses
+    | see "Input files" section above
+    | Tabular file format, Generally variable metadata file
+    | 
+
+Do you have a header
+    | YES (default) : parameter **Number of header lines** is visible
+    | NO : all lines are considered to contain masses
+    |
+
+If 'have a header'='YES'
+
+Number of header lines
+    | Number of lines not containing masses values, these lines will be ignored
+    |
+
+In all header cases :
+
+Column of Id
+    | Specify the column number for the id in the tsv input file
+    |
+
+Would you use retention time (RT)
+    | YES (default) : parameter **Column of retention time (RT)** and **Delta of retention time (RT) (in minutes)** are visible
+    | NO : Search will be made solely on the basis of the masses
+    |
+
+If 'Would you use retention time (RT)'='YES'
+
+Column of retention time (RT)
+    | Specify the column number for the retention time (RT) in the tsv input file
+    |
+
+Delta of retention time (RT) (in minutes)
+    | Specify a delta to apply on  retention time - This value is a float.
+    |
+
+In all RT cases :
+
+Column of masses
+    | Specify the column number for the mass in the tsv input file
+    |
+
+
+If 'use file'='NO'
+
+Would you use retention time (RT)
+    | YES (default) : parameter **retention time (RT) to submit** and **Delta of retention time (RT) (in minutes)** are visible
+    | NO : Search will be made solely on the basis of the masses
+    |
+
+If 'Would you use retention time (RT)'='YES'
+
+retention time (RT) to submit 
+    | Specify a list of retention time to request
+    | one or more retention time entered manually
+    | For a RT list, writes : rt1 rt2 rt3
+    | You must separate yours values with space
+    | dot (.) is for float number
+    |
+Delta of retention time (RT) (in minutes)
+    | Specify a delta to apply on  retention time - This value is a float.
+    |
+
+In all RT cases :
+
+Mass to submit
+    | Specify a list of mass to request
+    | one or more mass(es) entered manually
+    | For a masses list, writes : m1 m2 m3
+    | You must separate yours values with space
+    | dot (.) is for float number
+    |
+
+In all cases :
+
+Delta type 
+    | Specify a delta type : "in Dalton" or "in ppm"
+    |
+
+Delta of mass ("in Dalton" or "in ppm" according to choice)
+    | Specify a delta to apply on mass - This value is a float.
+    |
+
+Use personal data bank
+    | YES : parameter **Bank file**, **Column of masses (MZ) in Bank file** and **Column of retention time (RT) in Bank file** (optional) are visible, the search will be made only on the information of the file
+    | NO : a internal bank will be used
+    |
+
+If 'Use personal data bank'='YES'
+
+Bank file
+    | see "Input files" section above
+    | Tabular file format, Generally variable metadata file
+    | 
+
+Column of masses
+    | Specify the column number for the mass in the bank input file
+    |
+
+Have you used the retention time (RT) for your input data 
+    | Answering same as for "Would you use retention time (RT)"
+    | YES (default) : parameter **Column of retention time (RT) in Bank file** is visible
+    | NO : Search will be made solely on the basis of the masses
+    |
+
+Column of retention time (RT) in Bank file
+    | Specify the column number for the rt in the bank input file
+    |
+
+
+------------
+Output files
+------------
+
+Two types of files (if you manually enter the masses both files are mingled):
+    | bank_inhouse_(input.name)_TSV.tabular : for linking with others modules.
+    | 
+    | bank_inhouse_(input.name)_XLS.tabular : an excel-like output will be available. 
+    | 
+
+
+---------------------------------------------------
+
+
+---------------
+Working example
+---------------
+
+
+.. class:: warningmark
+
+Refer to the corresponding W4M HowTo section: http://workflow4metabolomics.org/howto
+ | Format Data For Postprocessing
+ | Perform LCMS Annotations
+
+.. class:: warningmark
+
+And their "W4M courses 2016":
+ | Using Galaxy4Metabolomics - W4M table format for Galaxy
+ | Annotation Banks - Annotation  
+	
+	]]></help>
+</tool>
diff -r 000000000000 -r be582bcd6585 bih.tmpl
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/bih.tmpl	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,129 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<!DOCTYPE html>
+<html lang="en">
+	<head>
+		<meta charset="utf-8">
+		<meta name="viewport" content="width=device-width, initial-scale=1.0">
+		<meta name="description" content="">
+		<meta name="author" content="INRA de Clermont-Ferrand">
+	
+		<title>Galaxy bank_inhouse queries - All results</title>
+		
+		<link rel="stylesheet" href="css.php" media="all">
+		<link rel="stylesheet" href="<TMPL_VAR NAME=CSS_GALAXY_PATH>/simplePagination.css"/>
+		
+		<!-- JavaScript -->
+		<script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script>
+		<script src="<TMPL_VAR NAME=JS_GALAXY_PATH>/jquery.simplePagination.js"></script>
+		<style>
+			
+			body {padding-top: 70px}
+			div.lm-table-warning {font-size: 1.4em;font-weight: bold;padding-right: 25px;color: #21536a;margin-left: 3px;}
+			tr.green td  {background-color: #eaf2d3; color: black;}
+			tr.blank td {background-color: #9999CC; color: black;}
+			table {font-family:\"Trebuchet MS\", Arial, Helvetica, sans-serif;width:100%;border-collapse:collapse;}
+			table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}
+			table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}
+			td.center-align {text-align:center;}
+			footer {margin: 50px 0;}
+			
+		</style>
+		<script>
+			function test(pageNumber)
+			{
+			  var page="#page-id-"+pageNumber;
+			  $('.select').hide()
+			  $(page).show()
+
+			}
+		</script>
+	</head>
+	<body>
+		<div class="container">
+		<div class="lm-table-warning">Results of bank_inhouse queries - <TMPL_VAR NAME=CONDITIONS></div>
+		<div id="detail_table_source" style="display:none"></div>
+		<p>
+		<div id="choose">
+		</div>
+		<p>
+		
+		<div id="ms_search_0" class="ms-search-table"></div>
+		<!-- HeadRows-->
+		<table id="detail_table" class="detail">
+			<col style="width:30px;"><!-- Ids (m/z)-->
+			<col style="width:30px;"><!-- Mass (m/z)-->
+			<col style="width:30px;"><!-- Compound-->
+			<col style="width:120px;"><!-- name-->
+			<col style="width:40px;"><!-- adduct-->
+			<col style="width:50px;"><!-- adduct type-->
+			<col style="width:60px;"><!-- adduct mw-->
+			<col style="width:60px;"><!-- cpd mw-->
+			<col style="width:50px;"><!-- delta-->
+			<thead>
+				<th>ID from input</th>
+				<th>Mass (m/z)</th>
+				<th>Compound_ID</th>
+				<th>Formula</th>
+				<th>Compound MW (Da)</th>
+				<th>Adduct</th>
+				<th>Adduct_Type</th>
+				<th>Adduct MW (Da)</th>
+				<th>Delta</th>
+			</thead>
+			<TMPL_LOOP NAME=PAGES>
+			<tbody class="select" id="page-id-<TMPL_VAR NAME=PAGE_NB>">
+				<TMPL_LOOP NAME=MASSES>
+				<tr class="<TMPL_VAR NAME=MZ_COLOR>">
+					<td class="center-align" ><TMPL_VAR NAME=MASSES_ID_QUERY></td>
+					<td id="<TMPL_VAR NAME=MASSES_NB>" class="center-align" ><TMPL_VAR NAME=MASSES_MZ_QUERY></td>
+					<td class="center-align" colspan="7"></td>
+				</tr>
+				<TMPL_LOOP NAME=ENTRIES>
+				<tr class="<TMPL_VAR NAME=ENTRY_COLOR>">
+					<td class="center-align" colspan="2"></td>
+					<td class="center-align"><a href="http://www.bank_inhouse.ca/metabolites/<TMPL_VAR NAME=ENTRY_ENTRY_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_ENTRY_ID></a></td>
+					<td class="center-align"><TMPL_VAR NAME=ENTRY_FORMULA></td>
+					<td class="center-align"><TMPL_VAR NAME=ENTRY_CPD_MZ></td>
+					<td class="center-align"><TMPL_VAR NAME=ENTRY_ADDUCT></td>
+					<td class="center-align"><TMPL_VAR NAME=ENTRY_ADDUCT_TYPE></td>
+					<td class="center-align"><TMPL_VAR NAME=ENTRY_ADDUCT_MZ></td>
+					<td class="center-align"><TMPL_VAR NAME=ENTRY_DELTA></td>
+				</tr>
+				</TMPL_LOOP>
+				</TMPL_LOOP>
+			</tbody>
+			</TMPL_LOOP>
+		</table>
+		</div>
+		
+		<div class="container">
+			<hr>
+			<footer>
+			<div class="row">
+			  <div class="col-lg-12">
+				<p>
+				<a href="http://jigsaw.w3.org/css-validator/check/referer" target="_blank">
+					<img style="border:0;width:88px;height:31px"
+						src="http://jigsaw.w3.org/css-validator/images/vcss-blue"
+						alt="Valid CSS!" />
+				</a>
+				</p>
+				<p>Copyright &copy; INRA, M Landi 2014 - Jquery Pluggin by <a href="http://flaviusmatis.github.com/" target="_blank">Flavius Matis</a></p>
+			  </div>
+			 </div>
+		 </footer>
+		</div>
+		<script language="javascript">
+			$(function() {
+				$('#choose').pagination({
+					items: <TMPL_VAR NAME=PAGES_NB>,
+					itemsOnPage: 1,
+					currentPage: 1,
+					onInit: function () { test(1); },
+					cssStyle: 'light-theme',
+					onPageClick: function(pageNumber){test(pageNumber)}
+				}).pagination('redraw');
+			});
+		</script>
+	</body>
+</html>
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 conf_bih.cfg
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/conf_bih.cfg	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,19 @@
+## Conf file for bank_inhouse.pl script
+#
+## Version -- edited by M Landi/F Giacomoni 
+VERSION=2018.10.01 
+#
+## ARGVT
+INHOUSE_BANK=inhouse.tsv
+#
+## MZ value
+PROTON_MZ=1.0078250321
+ELECTRON_MZ=0.0005486
+#
+## Galaxy url for HTML JS and CSS path 
+JS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts
+CSS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style
+#
+## HTML OUTPUT : 
+HTML_ENTRIES_PER_PAGE=4
+HTML_TEMPLATE=bank_inhouse.tmpl
diff -r 000000000000 -r be582bcd6585 inhouse.tsv
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/inhouse.tsv	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,290095 @@
+ENTRY	NAME	FORMULA	MASS	PATHWAYS	SOURCE	MODE	TISSUES
+HMDB03813	2-Acyl-sn-glycero-3-phosphocholine	Not Available	0	http://www.hmdb.ca/metabolites/HMDB03813	HMDB	NA	NA
+HMDB03813	2-Acyl-sn-glycero-3-phosphocholine	Not Available	0	HMDB03813	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06053	Omega-muricholic acid	NA	0	NA	HMDB2010	NA	NA
+MetaCyc04471	e- [e;electron;]	NA	0.001	NA	metacyc	NA	NA
+C00080	H+	H	1.0078	NA	KEGG	NA	NA
+HMDB01362	Hydrogen	H	1.00782	http://www.hmdb.ca/metabolites/HMDB01362	HMDB	NA	NA
+HMDB01362	Hydrogen	H	1.00782	HMDB01362	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00001	H+ [hydrogen ion;proton;H;]	H1	1.007825	12408-02-5	metacyc	NA	NA
+MetaCyc00002	H2 [hydrogen;hydrogen molecule;]	H2	2.01565	1333-74-0	metacyc	NA	NA
+HMDB01362	Hydrogen	H2	2.01565	NA	HMDB2010	NA	NA
+C00282	Hydrogen	H2	2.0157	NA	KEGG	NA	NA
+HMDB05949	Lithium	Li	7.016	http://www.hmdb.ca/metabolites/HMDB05949	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05949	Lithium	Li	7.016	http://www.hmdb.ca/metabolites/HMDB05949	HMDB	NA	NA
+C15473	Lithium	Li	7.016	NA	KEGG	NA	NA
+HMDB05949	Lithium	Li	7.016	http://www.hmdb.ca/metabolites/HMDB05949	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05949	Lithium	Li	7.016	HMDB05949	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05949	Lithium	[Li]+	7.016	NA	HMDB2010	NA	NA
+MetaCyc00003	Li+ [lithium ion;]	LI1	7.016004	NA	metacyc	NA	NA
+3988	Human urotensin II	ETPDCFWKYCV	9	MH2+	Inhouse_peptide	NA	peptide
+HMDB02387	Beryllium	Be	9.01218	http://www.hmdb.ca/metabolites/HMDB02387	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02387	Beryllium	Be	9.01218	http://www.hmdb.ca/metabolites/HMDB02387	HMDB	NA	NA
+HMDB02387	Beryllium	Be	9.01218	http://www.hmdb.ca/metabolites/HMDB02387	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02387	Beryllium	Be	9.01218	HMDB02387	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02387	Beryllium	[Be]2+	9.01218	NA	HMDB2010	NA	NA
+C16460	Beryllium	Be	9.0122	NA	KEGG	NA	NA
+HMDB02386	Boron	[B]3+	11.00931	NA	HMDB2010	NA	NA
+MJ000001	Nitrogen 	N	14.003074	NA	MeJP	NA	NA
+HMDB02386	Boron	BH3	14.03278	http://www.hmdb.ca/metabolites/HMDB02386	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02386	Boron	BH3	14.03278	http://www.hmdb.ca/metabolites/HMDB02386	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02386	Boron	BH3	14.03278	http://www.hmdb.ca/metabolites/HMDB02386	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02386	Boron	BH3	14.03278	http://www.hmdb.ca/metabolites/HMDB02386	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02386	Boron	BH3	14.03278	http://www.hmdb.ca/metabolites/HMDB02386	HMDB	NA	NA
+HMDB02386	Boron	BH3	14.03278	http://www.hmdb.ca/metabolites/HMDB02386	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02386	Boron	BH3	14.03278	HMDB02386	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00004	methyl-group [methyl group;CH3;]	C1H3	15.023475	NA	metacyc	NA	NA
+HMDB01845	Amide	H2N	16.01872	http://www.hmdb.ca/metabolites/HMDB01845	HMDB	NA	NA
+HMDB01845	Amide	H2N	16.01872	HMDB01845	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02714	Methane	CH4	16.0313	http://www.hmdb.ca/metabolites/HMDB02714	HMDB	NA	NA
+C01438	Methane	CH4	16.0313	NA	KEGG	NA	NA
+MJ000002	Methane 	CH4	16.0313	NA	MeJP	NA	NA
+MetaCyc00005	methane []	C1H4	16.0313	NA	metacyc	NA	NA
+HMDB02714	Methane	CH4	16.0313	HMDB02714	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02714	Methane	CH4	16.0313	NA	HMDB2010	NA	NA
+C01328	HO-	OH	17.0027	NA	KEGG	NA	NA
+C01329	Nucleoside phosphate	C5H10O7PR	17.0027	NA	KEGG	NA	NA
+C16844	Hydroxyl radical	OH	17.0027	NA	KEGG	NA	NA
+HMDB01039	Hydroxide	HO	17.00274	http://www.hmdb.ca/metabolites/HMDB01039	HMDB	NA	NA
+MetaCyc00006	OH- [hydroxyl;hydroxyl ion;OH;hydroxide;hydroxide ion;]	H1O1	17.00274	14280-30-9	metacyc	NA	NA
+HMDB01039	Hydroxide	HO	17.00274	HMDB01039	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01039	Hydroxide	[OH]-	17.002741	NA	HMDB2010	NA	NA
+C00014	NH3	NH3	17.0265	NA	KEGG	NA	NA
+MJ000003	NH3 	H3N	17.026549	NA	MeJP	NA	NA
+MetaCyc00007	ammonia [NH3;]	H3N1	17.026549	7664-41-7	metacyc	NA	NA
+HMDB00051	Ammonia	NH3	17.02655	http://www.hmdb.ca/metabolites/HMDB00051	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00051	Ammonia	NH3	17.02655	http://www.hmdb.ca/metabolites/HMDB00051	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00051	Ammonia	NH3	17.02655	http://www.hmdb.ca/metabolites/HMDB00051	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00051	Ammonia	NH3	17.02655	http://www.hmdb.ca/metabolites/HMDB00051	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00051	Ammonia	NH3	17.02655	http://www.hmdb.ca/metabolites/HMDB00051	HMDB	NA	NA
+HMDB00051	Ammonia	NH3	17.02655	http://www.hmdb.ca/metabolites/HMDB00051	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00051	Ammonia	NH3	17.02655	HMDB00051	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00051	Ammonia	NH3	17.02655	NA	HMDB2010	NA	NA
+3988	Human urotensin II	ETPDCFWKYCV	18	opioid	Inhouse_peptide	NA	peptide
+HMDB02111	Water	H2O	18.010559	NA	HMDB2010	NA	NA
+HMDB02111	Water	H2O	18.01056	http://www.hmdb.ca/metabolites/HMDB02111	HMDB	NA	NA
+HMDB02111	Water	H2O	18.01056	HMDB02111	PFEM_hmdb_metabocards_official	NA	NA
+MJ000004	Water 	H2O	18.010564	NA	MeJP	NA	NA
+MJ000005	H2O 	H2O	18.010564	NA	MeJP	NA	NA
+MetaCyc00008	H2O [H20;hydrogen oxide;water;]	H2O1	18.010565	7732-18-5	metacyc	NA	NA
+C00001	H2O	H2O	18.0106	NA	KEGG	NA	NA
+MetaCyc00009	NH4+ [ammonium;]	H4N1	18.034374	14798-03-9	metacyc	NA	NA
+C01342	NH4+	NH4	18.0344	NA	KEGG	NA	NA
+C01343	Alkylmercury	HgR	18.0344	NA	KEGG	NA	NA
+HMDB00662	Fluorine	F	18.9984	http://www.hmdb.ca/metabolites/HMDB00662	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00662	Fluorine	F	18.9984	http://www.hmdb.ca/metabolites/HMDB00662	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00662	Fluorine	F	18.9984	http://www.hmdb.ca/metabolites/HMDB00662	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00662	Fluorine	F	18.9984	http://www.hmdb.ca/metabolites/HMDB00662	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00662	Fluorine	F	18.9984	http://www.hmdb.ca/metabolites/HMDB00662	HMDB	NA	NA
+C00742	Fluoride	F	18.9984	NA	KEGG	NA	NA
+HMDB00662	Fluorine	F	18.9984	http://www.hmdb.ca/metabolites/HMDB00662	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00662	Fluorine	F	18.9984	HMDB00662	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00662	Fluorine	[F]-	18.9984	NA	HMDB2010	NA	NA
+MetaCyc00010	fluoride [fluoride ion;F-;F;]	F1	18.998403	NA	metacyc	NA	NA
+MetaCyc00011	oxonium [H3O+;]	H3O1	19.01839	NA	metacyc	NA	NA
+C16487	Hydrofluoric acid	HF	20.0062	NA	KEGG	NA	NA
+MJ000006	Sodium 	Na	22.989769	NA	MeJP	NA	NA
+HMDB00588	Sodium	Na	22.98977	http://www.hmdb.ca/metabolites/HMDB00588	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00588	Sodium	Na	22.98977	http://www.hmdb.ca/metabolites/HMDB00588	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00588	Sodium	Na	22.98977	http://www.hmdb.ca/metabolites/HMDB00588	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00588	Sodium	Na	22.98977	http://www.hmdb.ca/metabolites/HMDB00588	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00588	Sodium	Na	22.98977	http://www.hmdb.ca/metabolites/HMDB00588	HMDB	NA	NA
+MetaCyc00012	Na+ [Sodium;sodium ion;]	NA1	22.98977	7440-23-5	metacyc	NA	NA
+HMDB00588	Sodium	Na	22.98977	http://www.hmdb.ca/metabolites/HMDB00588	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00588	Sodium	Na	22.98977	HMDB00588	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00588	Sodium	[Na]+	22.989771	NA	HMDB2010	NA	NA
+C01330	Sodium	Na	22.9898	NA	KEGG	NA	NA
+C01334	RCl	ClR	22.9898	NA	KEGG	NA	NA
+C01335	ROH	HOR	22.9898	NA	KEGG	NA	NA
+C01336	Aryl thiol	HSR	22.9898	NA	KEGG	NA	NA
+C00305	Magnesium	Mg	23.985	NA	KEGG	NA	NA
+HMDB00547	Magnesium	Mg	23.98504	http://www.hmdb.ca/metabolites/HMDB00547	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00547	Magnesium	Mg	23.98504	http://www.hmdb.ca/metabolites/HMDB00547	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00547	Magnesium	Mg	23.98504	http://www.hmdb.ca/metabolites/HMDB00547	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00547	Magnesium	Mg	23.98504	http://www.hmdb.ca/metabolites/HMDB00547	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00547	Magnesium	Mg	23.98504	http://www.hmdb.ca/metabolites/HMDB00547	HMDB	NA	NA
+HMDB00547	Magnesium	Mg	23.98504	http://www.hmdb.ca/metabolites/HMDB00547	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00547	Magnesium	Mg	23.98504	HMDB00547	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00547	Magnesium	[Mg]2+	23.985041	NA	HMDB2010	NA	NA
+MetaCyc00013	Mg2+ [magnesium;Mg+2;Mg++;magnesium ion;]	MG1	23.985042	NA	metacyc	NA	NA
+MJ000007	Lithium hydroxide 	HLiO	24.018743	NA	MeJP	NA	NA
+HMDB02084	Cyanide	CN	26.00307	http://www.hmdb.ca/metabolites/HMDB02084	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02084	Cyanide	CN	26.00307	http://www.hmdb.ca/metabolites/HMDB02084	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02084	Cyanide	CN	26.00307	http://www.hmdb.ca/metabolites/HMDB02084	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02084	Cyanide	CN	26.00307	http://www.hmdb.ca/metabolites/HMDB02084	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02084	Cyanide	CN	26.00307	http://www.hmdb.ca/metabolites/HMDB02084	HMDB	NA	NA
+HMDB02084	Cyanide	CN	26.00307	http://www.hmdb.ca/metabolites/HMDB02084	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02084	Cyanide	CN	26.00307	HMDB02084	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02084	Cyanide	[CN]-	26.003071	NA	HMDB2010	NA	NA
+C00177	Cyanide	CN	26.0031	NA	KEGG	NA	NA
+MJ000008	Acetylene 	C2H2	26.01565	NA	MeJP	NA	NA
+MetaCyc00014	acetylene [ethyne;ethine;]	C2H2	26.01565	NA	metacyc	NA	NA
+C01548	Acetylene	C2H2	26.0157	NA	KEGG	NA	NA
+HMDB01247	Aluminum	Al	26.98154	http://www.hmdb.ca/metabolites/HMDB01247	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01247	Aluminum	Al	26.98154	http://www.hmdb.ca/metabolites/HMDB01247	HMDB	NA	NA
+HMDB01247	Aluminum	Al	26.98154	http://www.hmdb.ca/metabolites/HMDB01247	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01247	Aluminum	Al	26.98154	HMDB01247	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01247	Aluminum	[Al]3+	26.981541	NA	HMDB2010	NA	NA
+MJ000009	Cyanide 	CHN	27.010899	NA	MeJP	NA	NA
+MetaCyc00015	hydrogen cyanide [cyanide;hydrocyanic acid;]	C1H1N1	27.010899	57-12-5	metacyc	NA	NA
+MetaCyc00016	imino-group []	C1H1N1	27.010899	NA	metacyc	NA	NA
+C01326	Hydrogen cyanide	CHN	27.0109	NA	KEGG	NA	NA
+HMDB02175	Silicon	[Si]4+	27.976931	NA	HMDB2010	NA	NA
+C00237	CO	CO	27.9949	NA	KEGG	NA	NA
+HMDB01361	Carbon monoxide	CO	27.994909	NA	HMDB2010	NA	NA
+MetaCyc00017	CO [carbon monoxide;carbon monooxide;]	C1O1	27.994915	630-08-0	metacyc	NA	NA
+C00697	Nitrogen	N2	28.0061	NA	KEGG	NA	NA
+MJ000010	Nitrogen 	N2	28.006148	NA	MeJP	NA	NA
+MetaCyc00018	N2 [nitrogen molecule;nitrogen;]	N2	28.006148	7727-37-9	metacyc	NA	NA
+HMDB01371	Nitrogen	N2	28.006149	NA	HMDB2010	NA	NA
+HMDB01371	Nitrogen	N2	28.00615	http://www.hmdb.ca/metabolites/HMDB01371	HMDB	NA	NA
+HMDB01371	Nitrogen	N2	28.00615	HMDB01371	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00019	amino-group []	C1H2N1	28.018724	NA	metacyc	NA	NA
+C06547	Ethylene	C2H4	28.0313	NA	KEGG	NA	NA
+MJ000011	Ethylene 	C2H4	28.0313	NA	MeJP	NA	NA
+MetaCyc00020	ethene [olefiant gas;elayl;ethylene;]	C2H4	28.0313	NA	metacyc	NA	NA
+MetaCyc00021	hydroxyl-group []	C1H1O1	29.00274	NA	metacyc	NA	NA
+MJ000012	Nitrogen oxide (NO) 	NO	29.997988	NA	MeJP	NA	NA
+MJ000013	Nitric oxide 	NO	29.997988	NA	MeJP	NA	NA
+MetaCyc00022	NH(4)OH [ammonium hydroxide;]	N1O1	29.997989	NA	metacyc	NA	NA
+HMDB03378	Nitric oxide	NO	29.99799	NA	HMDB2010	NA	NA
+C00533	Nitric oxide	NO	29.998	NA	KEGG	NA	NA
+HMDB01426	Formaldehyde	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01426	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01361	Carbon monoxide	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01361	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01426	Formaldehyde	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01426	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01426	Formaldehyde	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01426	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01426	Formaldehyde	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01426	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01361	Carbon monoxide	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01361	HMDB	NA	NA
+HMDB01426	Formaldehyde	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01426	HMDB	NA	NA
+HMDB01361	Carbon monoxide	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01361	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01426	Formaldehyde	CH2O	30.01056	http://www.hmdb.ca/metabolites/HMDB01426	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01361	Carbon monoxide	CH2O	30.01056	HMDB01361	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01426	Formaldehyde	CH2O	30.01056	HMDB01426	PFEM_hmdb_metabocards_official	NA	NA
+MJ000014	Formaldehyde 	CH2O	30.010564	NA	MeJP	NA	NA
+HMDB01426	Formaldehyde	CH2O	30.010565	NA	HMDB2010	NA	NA
+MetaCyc00023	formaldehyde [formalin;methanal;formol;]	C1H2O1	30.010565	50-00-0	metacyc	NA	NA
+C00067	Formaldehyde	CH2O	30.0106	NA	KEGG	NA	NA
+C05360	Diimine	N2H2	30.0218	NA	KEGG	NA	NA
+MJ000015	Ethane 	C2H6	30.04695	NA	MeJP	NA	NA
+HMDB01315	Phosphorus	P	30.973761	NA	HMDB2010	NA	NA
+HMDB03378	Nitric oxide	HNO	31.00581	http://www.hmdb.ca/metabolites/HMDB03378	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03378	Nitric oxide	HNO	31.00581	http://www.hmdb.ca/metabolites/HMDB03378	HMDB	NA	NA
+HMDB03378	Nitric oxide	HNO	31.00581	http://www.hmdb.ca/metabolites/HMDB03378	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03378	Nitric oxide	HNO	31.00581	HMDB03378	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00024	nitric oxide [NO;nitrogen monoxide;nitrogen protoxide;]	H1N1O1	31.005814	10102-43-9	metacyc	NA	NA
+HMDB00164	Methylamine	CH5N	31.042198	NA	HMDB2010	NA	NA
+MJ000016	Methylamine 	CH5N	31.042199	NA	MeJP	NA	NA
+MetaCyc00025	NH2- []	C1H5N1	31.042199	NA	metacyc	NA	NA
+MetaCyc00026	methylamine [methylammonium;monomethylammonium ion;monomethylamine;aminomethane;methylammonium ion;methanamine;]	C1H5N1	31.042199	74-89-5	metacyc	NA	NA
+HMDB00164	Methylamine	CH5N	31.0422	http://www.hmdb.ca/metabolites/HMDB00164	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00164	Methylamine	CH5N	31.0422	http://www.hmdb.ca/metabolites/HMDB00164	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00164	Methylamine	CH5N	31.0422	http://www.hmdb.ca/metabolites/HMDB00164	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00164	Methylamine	CH5N	31.0422	http://www.hmdb.ca/metabolites/HMDB00164	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00164	Methylamine	CH5N	31.0422	http://www.hmdb.ca/metabolites/HMDB00164	HMDB	NA	NA
+C00218	Methylamine	CH5N	31.0422	NA	KEGG	NA	NA
+HMDB00164	Methylamine	CH5N	31.0422	http://www.hmdb.ca/metabolites/HMDB00164	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00164	Methylamine	CH5N	31.0422	HMDB00164	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00598	Sulfide	[S]2-	31.972071	NA	HMDB2010	NA	NA
+MetaCyc00027	S2- []	S1	31.972071	NA	metacyc	NA	NA
+C00087	Sulfur	S	31.9721	NA	KEGG	NA	NA
+C00007	Oxygen	O2	31.9898	NA	KEGG	NA	NA
+C00704	O2.-	O2	31.9898	NA	KEGG	NA	NA
+MJ000017	Oxygen 	O2	31.989829	NA	MeJP	NA	NA
+MetaCyc00028	O2 [oxygen;oxygen molecule;]	O2	31.989829	7782-44-7	metacyc	NA	NA
+MetaCyc00029	O2- [Superoxide anion;peroxide radical;O2(.-);superoxide;]	O2	31.989829	NA	metacyc	NA	NA
+HMDB01377	Oxygen	O2	31.98983	http://www.hmdb.ca/metabolites/HMDB01377	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01377	Oxygen	O2	31.98983	http://www.hmdb.ca/metabolites/HMDB01377	HMDB	NA	NA
+HMDB02168	Superoxide	O2	31.98983	http://www.hmdb.ca/metabolites/HMDB02168	HMDB	NA	NA
+HMDB01377	Oxygen	O2	31.98983	http://www.hmdb.ca/metabolites/HMDB01377	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01377	Oxygen	O2	31.98983	HMDB01377	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02168	Superoxide	O2	31.98983	HMDB02168	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01377	Oxygen	O2	31.98983	NA	HMDB2010	NA	NA
+HMDB02168	Superoxide	O2	31.98983	NA	HMDB2010	NA	NA
+HMDB02175	Silicon	H4Si	32.00823	http://www.hmdb.ca/metabolites/HMDB02175	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02175	Silicon	H4Si	32.00823	http://www.hmdb.ca/metabolites/HMDB02175	HMDB	NA	NA
+HMDB02175	Silicon	H4Si	32.00823	http://www.hmdb.ca/metabolites/HMDB02175	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02175	Silicon	H4Si	32.00823	HMDB02175	PFEM_hmdb_metabocards_official	NA	NA
+C00132	Methanol	CH4O	32.0262	NA	KEGG	NA	NA
+HMDB01875	Methanol	CH4O	32.02621	http://www.hmdb.ca/metabolites/HMDB01875	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01875	Methanol	CH4O	32.02621	http://www.hmdb.ca/metabolites/HMDB01875	HMDB	NA	NA
+HMDB01875	Methanol	CH4O	32.02621	http://www.hmdb.ca/metabolites/HMDB01875	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01875	Methanol	CH4O	32.02621	HMDB01875	PFEM_hmdb_metabocards_official	NA	NA
+MJ000018	Methanol 	CH4O	32.026214	NA	MeJP	NA	NA
+HMDB01875	Methanol	CH4O	32.026215	NA	HMDB2010	NA	NA
+MetaCyc00030	methanol [MetOH;carbinol;MeOH;methyl alcohol;wood alcohol;]	C1H4O1	32.026215	67-56-1	metacyc	NA	NA
+C05361	Hydrazine	N2H4	32.0374	NA	KEGG	NA	NA
+MetaCyc00031	hydrazine []	H4N2	32.037448	NA	metacyc	NA	NA
+MetaCyc00032	HS- [hydrogen sulfide ion;]	H1S1	32.979896	NA	metacyc	NA	NA
+HMDB03338	Hydroxylamine	H3NO	33.02146	http://www.hmdb.ca/metabolites/HMDB03338	HMDB	NA	NA
+HMDB03338	Hydroxylamine	H3NO	33.02146	HMDB03338	PFEM_hmdb_metabocards_official	NA	NA
+MJ000019	Hydroxylamine 	H3NO	33.021463	NA	MeJP	NA	NA
+MetaCyc00033	hydroxylamine [NH2OH;]	H3N1O1	33.021464	7803-49-8	metacyc	NA	NA
+HMDB03338	Hydroxylamine	H3NO	33.021465	NA	HMDB2010	NA	NA
+C00192	Hydroxylamine	NH3O	33.0215	NA	KEGG	NA	NA
+C00283	Hydrogen sulfide	H2S	33.9877	NA	KEGG	NA	NA
+HMDB00598	Sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB00598	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00598	Sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB00598	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03276	Hydrogen sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB03276	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00598	Sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB00598	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00598	Sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB00598	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00598	Sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB00598	HMDB	NA	NA
+HMDB03276	Hydrogen sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB03276	HMDB	NA	NA
+MJ000020	Hydrogen sulfide 	H2S	33.98772	NA	MeJP	NA	NA
+MJ000021	Sulfur 	H2S	33.98772	NA	MeJP	NA	NA
+HMDB00598	Sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB00598	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03276	Hydrogen sulfide	H2S	33.98772	http://www.hmdb.ca/metabolites/HMDB03276	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00598	Sulfide	H2S	33.98772	HMDB00598	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03276	Hydrogen sulfide	H2S	33.98772	HMDB03276	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03276	Hydrogen sulfide	H2S	33.98772	NA	HMDB2010	NA	NA
+MetaCyc00034	hydrogen sulfide [sulfide;H2S;]	H2S1	33.987721	06/04/7783	metacyc	NA	NA
+HMDB01315	Phosphorus	H3P	33.99724	http://www.hmdb.ca/metabolites/HMDB01315	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01315	Phosphorus	H3P	33.99724	http://www.hmdb.ca/metabolites/HMDB01315	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01315	Phosphorus	H3P	33.99724	http://www.hmdb.ca/metabolites/HMDB01315	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01315	Phosphorus	H3P	33.99724	http://www.hmdb.ca/metabolites/HMDB01315	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01315	Phosphorus	H3P	33.99724	http://www.hmdb.ca/metabolites/HMDB01315	HMDB	NA	NA
+HMDB01315	Phosphorus	H3P	33.99724	http://www.hmdb.ca/metabolites/HMDB01315	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01315	Phosphorus	H3P	33.99724	HMDB01315	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03125	Hydrogen peroxide	H2O2	34.005478	NA	HMDB2010	NA	NA
+MJ000022	Hydrogen peroxide (H2O2) 	H2O2	34.005479	NA	MeJP	NA	NA
+MetaCyc00035	H2O2 [hydroperoxide;perhydrol;hydrogen peroxide;]	H2O2	34.005479	7722-84-1	metacyc	NA	NA
+HMDB03125	Hydrogen peroxide	H2O2	34.00548	http://www.hmdb.ca/metabolites/HMDB03125	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03125	Hydrogen peroxide	H2O2	34.00548	http://www.hmdb.ca/metabolites/HMDB03125	HMDB	NA	NA
+HMDB03125	Hydrogen peroxide	H2O2	34.00548	http://www.hmdb.ca/metabolites/HMDB03125	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03125	Hydrogen peroxide	H2O2	34.00548	HMDB03125	PFEM_hmdb_metabocards_official	NA	NA
+C00027	H2O2	H2O2	34.0055	NA	KEGG	NA	NA
+C00028	Acceptor	H2O2	34.0055	NA	KEGG	NA	NA
+C11147	Fluoromethane	CH3F	34.0219	NA	KEGG	NA	NA
+HMDB00492	Chlorine	[Cl]-	34.968849	NA	HMDB2010	NA	NA
+HMDB00492	Chloride	Cl	34.96885	http://www.hmdb.ca/metabolites/HMDB00492	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00492	Chloride	Cl	34.96885	http://www.hmdb.ca/metabolites/HMDB00492	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00492	Chloride	Cl	34.96885	http://www.hmdb.ca/metabolites/HMDB00492	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00492	Chloride	Cl	34.96885	http://www.hmdb.ca/metabolites/HMDB00492	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00492	Chloride	Cl	34.96885	http://www.hmdb.ca/metabolites/HMDB00492	HMDB	NA	NA
+HMDB00492	Chloride	Cl	34.96885	http://www.hmdb.ca/metabolites/HMDB00492	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00492	Chloride	Cl	34.96885	HMDB00492	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00036	chloride [chloride ion;Cl-;]	CL1	34.968853	NA	metacyc	NA	NA
+C00698	Cl-	Cl	34.9689	NA	KEGG	NA	NA
+C01358	NH4OH	NH4	35.0371	NA	KEGG	NA	NA
+MJ000023	Hydrogen chloride 	ClH	35.976677	NA	MeJP	NA	NA
+MetaCyc00037	HCl [hydrogen chloride;hydrochloric acid;]	H1CL1	35.976678	NA	metacyc	NA	NA
+HMDB02306	Hydrochloric acid	ClH	35.97668	http://www.hmdb.ca/metabolites/HMDB02306	HMDB	NA	NA
+HMDB02306	Hydrochloric acid	ClH	35.97668	HMDB02306	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02306	Hydrochloric acid	ClH	35.976681	NA	HMDB2010	NA	NA
+C01327	Hydrochloric acid	HCl	35.9767	NA	KEGG	NA	NA
+HMDB00123	Glycine	C2H5NO2	37.516014	MH2+	Inhouse_peptide	NA	peptide
+C00238	Potassium	K	38.9637	NA	KEGG	NA	NA
+MJ000024	Potassium 	K	38.963706	NA	MeJP	NA	NA
+MetaCyc00038	K+ [potassium;potassium ion;]	K1	38.963707	NA	metacyc	NA	NA
+HMDB00586	Potassium	K	38.96371	http://www.hmdb.ca/metabolites/HMDB00586	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00586	Potassium	K	38.96371	http://www.hmdb.ca/metabolites/HMDB00586	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00586	Potassium	K	38.96371	http://www.hmdb.ca/metabolites/HMDB00586	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00586	Potassium	K	38.96371	http://www.hmdb.ca/metabolites/HMDB00586	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00586	Potassium	K	38.96371	http://www.hmdb.ca/metabolites/HMDB00586	HMDB	NA	NA
+HMDB00586	Potassium	K	38.96371	http://www.hmdb.ca/metabolites/HMDB00586	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00586	Potassium	K	38.96371	HMDB00586	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00586	Potassium	[K]+	38.963711	NA	HMDB2010	NA	NA
+HMDB00464	Calcium	[Ca]2+	39.962589	NA	HMDB2010	NA	NA
+HMDB00464	Calcium	Ca	39.96259	http://www.hmdb.ca/metabolites/HMDB00464	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00464	Calcium	Ca	39.96259	http://www.hmdb.ca/metabolites/HMDB00464	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00464	Calcium	Ca	39.96259	http://www.hmdb.ca/metabolites/HMDB00464	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00464	Calcium	Ca	39.96259	http://www.hmdb.ca/metabolites/HMDB00464	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00464	Calcium	Ca	39.96259	http://www.hmdb.ca/metabolites/HMDB00464	HMDB	NA	NA
+HMDB00464	Calcium	Ca	39.96259	http://www.hmdb.ca/metabolites/HMDB00464	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00464	Calcium	Ca	39.96259	HMDB00464	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00039	Ca2+ [Ca2+;Ca+2;Ca++;calcium ion;]	CA1	39.962591	NA	metacyc	NA	NA
+C00076	Calcium	Ca	39.9626	NA	KEGG	NA	NA
+C12567	Magnesium oxide	MgO	39.98	NA	KEGG	NA	NA
+C12569	Sodium hydroxide	Na	39.9925	NA	KEGG	NA	NA
+C12570	Transferred to D01170	Na	39.9925	NA	KEGG	NA	NA
+C12571	Transferred to D01171	Na	39.9925	NA	KEGG	NA	NA
+C12572	Transferred to D01172	Na	39.9925	NA	KEGG	NA	NA
+C12573	Transferred to D01173	Na	39.9925	NA	KEGG	NA	NA
+MJ000025	Calcium 	CaH2	41.978241	NA	MeJP	NA	NA
+MJ000026	Lithium chloride (LiCl) 	ClLi	41.984856	NA	MeJP	NA	NA
+MJ000027	Sodium fluoride (NaF) 	FNa	41.988172	NA	MeJP	NA	NA
+C08142	Sodium fluoride	Na	41.9882	NA	KEGG	NA	NA
+C08143	Transferred to D00944	Na	41.9882	NA	KEGG	NA	NA
+C08144	Transferred to D00945	Na	41.9882	NA	KEGG	NA	NA
+HMDB02078	Cyanate	[OCN]-	41.99799	NA	HMDB2010	NA	NA
+MJ000028	Cyanamide 	CH2N2	42.021798	NA	MeJP	NA	NA
+MetaCyc00040	cyanamide [Carbodiimide;]	C1H2N2	42.021798	420-04-2	metacyc	NA	NA
+C01566	Cyanamide	CH2N2	42.0218	NA	KEGG	NA	NA
+MJ000029	Cyclopropane 	C3H6	42.04695	NA	MeJP	NA	NA
+MetaCyc00041	Propene []	C3H6	42.04695	NA	metacyc	NA	NA
+C11505	Propene	C3H6	42.047	NA	KEGG	NA	NA
+C01417	Cyanate	CHNO	43.0058	NA	KEGG	NA	NA
+HMDB02078	Cyanate	CHNO	43.00581	http://www.hmdb.ca/metabolites/HMDB02078	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02078	Cyanate	CHNO	43.00581	http://www.hmdb.ca/metabolites/HMDB02078	HMDB	NA	NA
+HMDB02078	Cyanate	CHNO	43.00581	http://www.hmdb.ca/metabolites/HMDB02078	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02078	Cyanate	CHNO	43.00581	HMDB02078	PFEM_hmdb_metabocards_official	NA	NA
+MJ000030	Cyanate 	CHNO	43.005813	NA	MeJP	NA	NA
+MetaCyc00042	NCOH []	C1H1N1O1	43.005814	NA	metacyc	NA	NA
+MetaCyc00043	cyanate [cyanic acid;hydrogen cyanate;]	C1H1N1O1	43.005814	420-05-3	metacyc	NA	NA
+MetaCyc00044	aziridine [ethylenimine;aziridine;ethylene-imine;azacyclopropane;dimethylenimine;azirane;aminoethylene;]	C2H5N1	43.042199	151-56-4	metacyc	NA	NA
+C11687	Aziridine	C2H5N	43.0422	NA	KEGG	NA	NA
+C00011	CO2	CO2	43.9898	NA	KEGG	NA	NA
+C00012	Peptide	C2H4NO2R	43.9898	NA	KEGG	NA	NA
+MJ000031	CO2 	CO2	43.989829	NA	MeJP	NA	NA
+MJ000032	Carbon dioxide 	CO2	43.989829	NA	MeJP	NA	NA
+MetaCyc00045	CO2 [carbonic anhydride;carbonic acid gas;carbon dioxide;]	C1O2	43.989829	124-38-9	metacyc	NA	NA
+HMDB01967	Carbon Dioxide	CO2	43.98983	http://www.hmdb.ca/metabolites/HMDB01967	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01967	Carbon Dioxide	CO2	43.98983	http://www.hmdb.ca/metabolites/HMDB01967	HMDB	NA	NA
+HMDB01967	Carbon Dioxide	CO2	43.98983	http://www.hmdb.ca/metabolites/HMDB01967	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01967	Carbon Dioxide	CO2	43.98983	HMDB01967	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01967	Carbon dioxide	CO2	43.98983	NA	HMDB2010	NA	NA
+MJ000033	Nitrous oxide 	N2O	44.001062	NA	MeJP	NA	NA
+MJ000034	Nitrogen oxide (N2O) 	N2O	44.001062	NA	MeJP	NA	NA
+MetaCyc00046	nitrous oxide [N2O;]	N2O1	44.001063	10024-97-2	metacyc	NA	NA
+C00887	Nitrous oxide	N2O	44.0011	NA	KEGG	NA	NA
+HMDB06782	N-Formylderivatives	CH2NO	44.01364	http://www.hmdb.ca/metabolites/HMDB06782	HMDB	NA	NA
+HMDB06782	N-Formylderivatives	CH2NO	44.01364	HMDB06782	PFEM_hmdb_metabocards_official	NA	NA
+C00084	Acetaldehyde	C2H4O	44.0262	NA	KEGG	NA	NA
+C06548	Ethylene oxide	C2H4O	44.0262	NA	KEGG	NA	NA
+HMDB00990	Acetaldehyde	C2H4O	44.02621	http://www.hmdb.ca/metabolites/HMDB00990	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00990	Acetaldehyde	C2H4O	44.02621	http://www.hmdb.ca/metabolites/HMDB00990	HMDB	NA	NA
+HMDB00990	Acetaldehyde	C2H4O	44.02621	http://www.hmdb.ca/metabolites/HMDB00990	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00990	Acetaldehyde	C2H4O	44.02621	HMDB00990	PFEM_hmdb_metabocards_official	NA	NA
+MJ000035	Acetaldehyde 	C2H4O	44.026214	NA	MeJP	NA	NA
+MJ000036	Ethylene oxide 	C2H4O	44.026214	NA	MeJP	NA	NA
+MJ000037	Menfegol 	C2H4O	44.026214	NA	MeJP	NA	NA
+HMDB00990	Acetaldehyde	C2H4O	44.026215	NA	HMDB2010	NA	NA
+MetaCyc00047	polyvinyl alcohol [hydroxyethylene;ethenol;alcotex 17F-H;]	C2H4O1	44.026215	9002-89-5	metacyc	NA	NA
+MetaCyc00048	acetaldehyde [acetic aldehyde;ethanal;aldehyde;ethyl aldehyde;]	C2H4O1	44.026215	75-07-0	metacyc	NA	NA
+MJ000038	Propane 	C3H8	44.0626	NA	MeJP	NA	NA
+HMDB00056	Beta-Alanine	C3H7NO2	44.523838	MH2+	Inhouse_peptide	NA	peptide
+HMDB00161	L-Alanine	C3H7NO2	44.523838	MH2+	Inhouse_peptide	NA	peptide
+HMDB00271	Sarcosine	C3H7NO2	44.523838	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00049	thiol-group []	C1H1S1	44.979896	NA	metacyc	NA	NA
+MetaCyc00050	carboxyl-group []	C1H1O2	44.997654	NA	metacyc	NA	NA
+HMDB01536	Formamide	CH3NO	45.02146	http://www.hmdb.ca/metabolites/HMDB01536	HMDB	NA	NA
+HMDB01536	Formamide	CH3NO	45.02146	HMDB01536	PFEM_hmdb_metabocards_official	NA	NA
+MJ000039	Formamide 	CH3NO	45.021463	NA	MeJP	NA	NA
+MetaCyc00051	formamide [carbamaldehyde;Methanamide;]	C1H3N1O1	45.021464	75-12-7	metacyc	NA	NA
+HMDB01536	Formamide	CH3NO	45.021465	NA	HMDB2010	NA	NA
+C00488	Formamide	CH3NO	45.0215	NA	KEGG	NA	NA
+C00543	Dimethylamine	C2H7N	45.0578	NA	KEGG	NA	NA
+C00797	Ethylamine	C2H7N	45.0578	NA	KEGG	NA	NA
+MJ000040	Dimethylamine 	C2H7N	45.057849	NA	MeJP	NA	NA
+MJ000041	Ethylamine 	C2H7N	45.057849	NA	MeJP	NA	NA
+MetaCyc00052	ethylamine [ethanamine;aminoethane;]	C2H7N1	45.057849	75-04-7	metacyc	NA	NA
+MetaCyc00053	dimethylamine [{CH3}2NH2;]	C2H7N1	45.057849	124-40-3	metacyc	NA	NA
+HMDB00087	Dimethylamine	C2H7N	45.05785	http://www.hmdb.ca/metabolites/HMDB00087	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00087	Dimethylamine	C2H7N	45.05785	http://www.hmdb.ca/metabolites/HMDB00087	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00087	Dimethylamine	C2H7N	45.05785	http://www.hmdb.ca/metabolites/HMDB00087	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00087	Dimethylamine	C2H7N	45.05785	http://www.hmdb.ca/metabolites/HMDB00087	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00087	Dimethylamine	C2H7N	45.05785	http://www.hmdb.ca/metabolites/HMDB00087	HMDB	NA	NA
+HMDB00087	Dimethylamine	C2H7N	45.05785	http://www.hmdb.ca/metabolites/HMDB00087	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00087	Dimethylamine	C2H7N	45.05785	HMDB00087	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00087	Dimethylamine	C2H7N	45.05785	NA	HMDB2010	NA	NA
+HMDB13231	Ethylamine	C2H7N	45.05785	NA	HMDB2010	NA	NA
+HMDB02786	Nitrite	[NO2]-	45.992901	NA	HMDB2010	NA	NA
+MetaCyc00054	nitrogen dioxide [nitrogen oxide;NO2;]	N1O2	45.992903	10102-44-0	metacyc	NA	NA
+MetaCyc00055	nitrite [NO2;NO2-;]	N1O2	45.992903	14797-65-0	metacyc	NA	NA
+HMDB00142	Formic acid	CH2O2	46.005478	NA	HMDB2010	NA	NA
+MJ000042	Formic acid 	CH2O2	46.005479	NA	MeJP	NA	NA
+MJ000043	Formate 	CH2O2	46.005479	NA	MeJP	NA	NA
+MetaCyc00056	formate [formic acid;]	C1H2O2	46.005479	64-18-6	metacyc	NA	NA
+HMDB00142	Formic acid	CH2O2	46.00548	http://www.hmdb.ca/metabolites/HMDB00142	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00142	Formic acid	CH2O2	46.00548	http://www.hmdb.ca/metabolites/HMDB00142	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00142	Formic acid	CH2O2	46.00548	http://www.hmdb.ca/metabolites/HMDB00142	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00142	Formic acid	CH2O2	46.00548	http://www.hmdb.ca/metabolites/HMDB00142	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00142	Formic acid	CH2O2	46.00548	http://www.hmdb.ca/metabolites/HMDB00142	HMDB	NA	NA
+HMDB00142	Formic acid	CH2O2	46.00548	http://www.hmdb.ca/metabolites/HMDB00142	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00142	Formic acid	CH2O2	46.00548	HMDB00142	PFEM_hmdb_metabocards_official	NA	NA
+C00058	Formate	CH2O2	46.0055	NA	KEGG	NA	NA
+HMDB00108	Ethanol	C2H6O	46.04186	http://www.hmdb.ca/metabolites/HMDB00108	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00108	Ethanol	C2H6O	46.04186	http://www.hmdb.ca/metabolites/HMDB00108	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00108	Ethanol	C2H6O	46.04186	http://www.hmdb.ca/metabolites/HMDB00108	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00108	Ethanol	C2H6O	46.04186	http://www.hmdb.ca/metabolites/HMDB00108	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00108	Ethanol	C2H6O	46.04186	http://www.hmdb.ca/metabolites/HMDB00108	HMDB	NA	NA
+HMDB00108	Ethanol	C2H6O	46.04186	http://www.hmdb.ca/metabolites/HMDB00108	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00108	Ethanol	C2H6O	46.04186	HMDB00108	PFEM_hmdb_metabocards_official	NA	NA
+MJ000044	Ethanol 	C2H6O	46.041864	NA	MeJP	NA	NA
+MJ000045	Dimethyl ether 	C2H6O	46.041864	NA	MeJP	NA	NA
+MJ000046	Ethanol 	C2H6O	46.041864	NA	MeJP	NA	NA
+MetaCyc00057	ethanol [absolute alcohol;alcohol;EtOH;eth;ethyl alcohol;grain alcohol;]	C2H6O1	46.041865	64-17-5	metacyc	NA	NA
+HMDB00108	Ethanol	C2H6O	46.041866	NA	HMDB2010	NA	NA
+C00469	Ethanol	C2H6O	46.0419	NA	KEGG	NA	NA
+C00470	Pectate	C12H18O13	46.0419	NA	KEGG	NA	NA
+C00471	Plasmin	C12H18O13	46.0419	NA	KEGG	NA	NA
+C11144	Dimethyl ether	C2H6O	46.0419	NA	KEGG	NA	NA
+C00088	Nitrite	HNO2	47.0007	NA	KEGG	NA	NA
+MJ000047	Nitrite 	HNO2	47.000728	NA	MeJP	NA	NA
+HMDB02786	Nitrite	HNO2	47.00073	http://www.hmdb.ca/metabolites/HMDB02786	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02786	Nitrite	HNO2	47.00073	http://www.hmdb.ca/metabolites/HMDB02786	HMDB	NA	NA
+HMDB02786	Nitrite	HNO2	47.00073	http://www.hmdb.ca/metabolites/HMDB02786	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02786	Nitrite	HNO2	47.00073	HMDB02786	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01966	Titanium	[Ti]4+	47.947948	NA	HMDB2010	NA	NA
+HMDB01966	Titanium	Ti	47.94795	http://www.hmdb.ca/metabolites/HMDB01966	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01966	Titanium	Ti	47.94795	http://www.hmdb.ca/metabolites/HMDB01966	HMDB	NA	NA
+HMDB01966	Titanium	Ti	47.94795	http://www.hmdb.ca/metabolites/HMDB01966	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01966	Titanium	Ti	47.94795	HMDB01966	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03227	Methanethiol	CH4S	48.003368	NA	HMDB2010	NA	NA
+HMDB03227	Methanethiol	CH4S	48.00337	http://www.hmdb.ca/metabolites/HMDB03227	HMDB	NA	NA
+HMDB03227	Methanethiol	CH4S	48.00337	HMDB03227	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00058	methanethiol [methyl-mercaptan;]	C1H4S1	48.003371	NA	metacyc	NA	NA
+MetaCyc00059	methanethiol [methylmercaptan;mercaptomethane;thiomethane;methyl sulfhydrate;thiomethyl alcohol;]	C1H4S1	48.003371	NA	metacyc	NA	NA
+C00409	Methanethiol	CH4S	48.0034	NA	KEGG	NA	NA
+MJ000048	Chloromethane 	CH3Cl	49.992327	NA	MeJP	NA	NA
+MetaCyc00060	methyl chloride [CH3Cl;chloromethane;monochloromethane;]	C1H3CL1	49.992328	74-87-3	metacyc	NA	NA
+HMDB02503	Vanadium	[V]3+	50.943958	NA	HMDB2010	NA	NA
+HMDB02503	Vanadium	V	50.94396	http://www.hmdb.ca/metabolites/HMDB02503	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02503	Vanadium	V	50.94396	http://www.hmdb.ca/metabolites/HMDB02503	HMDB	NA	NA
+HMDB02503	Vanadium	V	50.94396	http://www.hmdb.ca/metabolites/HMDB02503	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02503	Vanadium	V	50.94396	HMDB02503	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01050	Hypochlorite	ClO	50.96377	http://www.hmdb.ca/metabolites/HMDB01050	HMDB	NA	NA
+HMDB01050	Hypochlorite	ClO	50.96377	HMDB01050	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01050	Hypochlorite	[ClO]-	50.963772	NA	HMDB2010	NA	NA
+HMDB00092	Dimethylglycine	C4H9NO2	51.531666	MH2+	Inhouse_peptide	NA	peptide
+HMDB00112	Gamma-Aminobutyric acid	C4H9NO2	51.531666	MH2+	Inhouse_peptide	NA	peptide
+HMDB00452	L-Alpha-aminobutyric acid	C4H9NO2	51.531666	MH2+	Inhouse_peptide	NA	peptide
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	51.531666	MH2+	Inhouse_peptide	NA	peptide
+HMDB02166	(S)-b-aminoisobutyric acid	C4H9NO2	51.531666	MH2+	Inhouse_peptide	NA	peptide
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	51.531666	MH2+	Inhouse_peptide	NA	peptide
+HMDB00599	Chromium	Cr	51.94051	http://www.hmdb.ca/metabolites/HMDB00599	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00599	Chromium	Cr	51.94051	http://www.hmdb.ca/metabolites/HMDB00599	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00599	Chromium	Cr	51.94051	http://www.hmdb.ca/metabolites/HMDB00599	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00599	Chromium	Cr	51.94051	http://www.hmdb.ca/metabolites/HMDB00599	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00599	Chromium	Cr	51.94051	http://www.hmdb.ca/metabolites/HMDB00599	HMDB	NA	NA
+HMDB00599	Chromium	Cr	51.94051	http://www.hmdb.ca/metabolites/HMDB00599	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00599	Chromium	Cr	51.94051	HMDB00599	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00599	Chromium	[Cr]3+	51.94051	NA	HMDB2010	NA	NA
+MetaCyc00061	Cr6+ [Cr6+;Cr(VI);]	CR1	51.940512	NA	metacyc	NA	NA
+MetaCyc00062	Cr3+ [Cr3+;Cr(III);]	CR1	51.940512	NA	metacyc	NA	NA
+HMDB00097	Choline	C5H14NO	52.053768	MH2+	Inhouse_peptide	NA	peptide
+HMDB00187	L-Serine	C3H7NO3	52.5212975	MH2+	Inhouse_peptide	NA	peptide
+HMDB03406	D-Serine	C3H7NO3	52.5212975	MH2+	Inhouse_peptide	NA	peptide
+MJ000049	Ammonium chloride ((NH4)Cl) 	ClH4N	53.003226	NA	MeJP	NA	NA
+MetaCyc00063	NH4Cl []	H4N1CL1	53.003227	NA	metacyc	NA	NA
+C01998	Acrylonitrile	C3H3N	53.0265	NA	KEGG	NA	NA
+C02000	Alkyl sulfate	HSO4R	53.0265	NA	KEGG	NA	NA
+MJ000050	Acrylonitrile 	C3H3N	53.026549	NA	MeJP	NA	NA
+MetaCyc00064	acrylonitrile []	C3H3N1	53.026549	107-13-1	metacyc	NA	NA
+MJ000051	2-Propyn-1-al 	C3H2O	54.010564	NA	MeJP	NA	NA
+HMDB06803	2-Propyn-1-al	C3H2O	54.010567	NA	HMDB2010	NA	NA
+C05985	2-Propyn-1-al	C3H2O	54.0106	NA	KEGG	NA	NA
+MetaCyc00065	butadiene [1,3-butadiene;divinyl;]	C4H6	54.04695	106-99-0	metacyc	NA	NA
+C16450	1,3-Butadiene	C4H6	54.047	NA	KEGG	NA	NA
+C16451	Coal-tar pitches	C4H6	54.047	NA	KEGG	NA	NA
+HMDB01333	Manganese	[Mn]2+	54.938049	NA	HMDB2010	NA	NA
+MJ000052	Manganese 	Mn	54.938049	NA	MeJP	NA	NA
+HMDB01333	Manganese	Mn	54.93805	http://www.hmdb.ca/metabolites/HMDB01333	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01333	Manganese	Mn	54.93805	http://www.hmdb.ca/metabolites/HMDB01333	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01333	Manganese	Mn	54.93805	http://www.hmdb.ca/metabolites/HMDB01333	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01333	Manganese	Mn	54.93805	http://www.hmdb.ca/metabolites/HMDB01333	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01333	Manganese	Mn	54.93805	http://www.hmdb.ca/metabolites/HMDB01333	HMDB	NA	NA
+MetaCyc00066	Mn+3 [manganese (III) ion;Mn(III);]	MN1	54.93805	7439-96-5	metacyc	NA	NA
+MetaCyc00067	Mn2+ [manganese ion;Mn(II);Mn+2;Mn++;manganese (II) ion;]	MN1	54.93805	7439-96-5	metacyc	NA	NA
+HMDB01333	Manganese	Mn	54.93805	http://www.hmdb.ca/metabolites/HMDB01333	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01333	Manganese	Mn	54.93805	HMDB01333	PFEM_hmdb_metabocards_official	NA	NA
+C00034	Manganese	Mn	54.9381	NA	KEGG	NA	NA
+HMDB00870	Histamine	C5H9N3	55.5398215	MH2+	Inhouse_peptide	NA	peptide
+C00023	Iron	Fe	55.9349	NA	KEGG	NA	NA
+C14818	Fe2+	Fe	55.9349	NA	KEGG	NA	NA
+C14819	Fe3+	Fe	55.9349	NA	KEGG	NA	NA
+HMDB00692	Iron	Fe	55.93494	http://www.hmdb.ca/metabolites/HMDB00692	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00692	Iron	Fe	55.93494	http://www.hmdb.ca/metabolites/HMDB00692	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00692	Iron	Fe	55.93494	http://www.hmdb.ca/metabolites/HMDB00692	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00692	Iron	Fe	55.93494	http://www.hmdb.ca/metabolites/HMDB00692	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00692	Iron	Fe	55.93494	http://www.hmdb.ca/metabolites/HMDB00692	HMDB	NA	NA
+HMDB00692	Iron	Fe	55.93494	http://www.hmdb.ca/metabolites/HMDB00692	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00692	Iron	Fe	55.93494	HMDB00692	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00692	Iron	[Fe]2+	55.93494	NA	HMDB2010	NA	NA
+MJ000053	Iron 	Fe	55.934942	NA	MeJP	NA	NA
+MetaCyc00068	Fe3+ [ferric iron;Fe3+;Fe+++;Fe+3;]	FE1	55.934942	NA	metacyc	NA	NA
+MetaCyc00069	Fe2+ [Fe+2;Fe++;ferrous iron;Fe+2;Fe2+;]	FE1	55.934942	NA	metacyc	NA	NA
+C13140	Calcium oxide	CaO	55.9575	NA	KEGG	NA	NA
+C12568	Potassium hydroxide	KOH	55.9664	NA	KEGG	NA	NA
+MJ000054	Magnesium peroxide (MgO2) 	MgO2	55.974871	NA	MeJP	NA	NA
+C17732	Magnesium peroxide	MgO2	55.9749	NA	KEGG	NA	NA
+C01471	Acrolein	C3H4O	56.0262	NA	KEGG	NA	NA
+C05986	2-Propyn-1-ol	C3H4O	56.0262	NA	KEGG	NA	NA
+MJ000055	2-Propenal 	C3H4O	56.026214	NA	MeJP	NA	NA
+MJ000056	2-Propyn-1-ol 	C3H4O	56.026214	NA	MeJP	NA	NA
+MetaCyc00070	acrolein []	C3H4O1	56.026215	107-02-8	metacyc	NA	NA
+C14150	Cyclopropylamine	C3H7N	57.0578	NA	KEGG	NA	NA
+MetaCyc00071	cyclopropylamine [cyclopropanamine;aminocyclopropane;]	C3H7N1	57.057849	NA	metacyc	NA	NA
+HMDB00162	L-Proline	C5H9NO2	57.531666	MH2+	Inhouse_peptide	NA	peptide
+C00291	Nickel	Ni	57.9353	NA	KEGG	NA	NA
+HMDB02457	Nickel	Ni	57.93534	http://www.hmdb.ca/metabolites/HMDB02457	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02457	Nickel	Ni	57.93534	http://www.hmdb.ca/metabolites/HMDB02457	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02457	Nickel	Ni	57.93534	http://www.hmdb.ca/metabolites/HMDB02457	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02457	Nickel	Ni	57.93534	http://www.hmdb.ca/metabolites/HMDB02457	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02457	Nickel	Ni	57.93534	http://www.hmdb.ca/metabolites/HMDB02457	HMDB	NA	NA
+HMDB02457	Nickel	Ni	57.93534	http://www.hmdb.ca/metabolites/HMDB02457	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02457	Nickel	Ni	57.93534	HMDB02457	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02457	Nickel	[Ni]2+	57.935341	NA	HMDB2010	NA	NA
+MetaCyc00072	Ni2+ [nickel;Ni++;Ni+2;]	NI1	57.935348	NA	metacyc	NA	NA
+MJ000057	Sodium chloride (NaCl) 	ClNa	57.958622	NA	MeJP	NA	NA
+MetaCyc00073	NaCl [sodium chloride;]	NA1CL1	57.958622	NA	metacyc	NA	NA
+MJ000058	Potassium fluoride 	FK	57.96211	NA	MeJP	NA	NA
+HMDB01453	Thiocyanate	[SCN]-	57.97514	NA	HMDB2010	NA	NA
+C07876	Magnesium hydroxide	MgH2O2	57.9905	NA	KEGG	NA	NA
+MJ000059	Magnesium hydroxide 	H2MgO2	57.990521	NA	MeJP	NA	NA
+C14448	Glyoxal	C2H2O2	58.0055	NA	KEGG	NA	NA
+HMDB01659	Acetone	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB01659	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01659	Acetone	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB01659	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01659	Acetone	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB01659	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01659	Acetone	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB01659	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01659	Acetone	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB01659	HMDB	NA	NA
+HMDB03366	Propanal	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB03366	HMDB	NA	NA
+HMDB01659	Acetone	C3H6O	58.04186	http://www.hmdb.ca/metabolites/HMDB01659	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01659	Acetone	C3H6O	58.04186	HMDB01659	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03366	Propanal	C3H6O	58.04186	HMDB03366	PFEM_hmdb_metabocards_official	NA	NA
+MJ000060	Acetone 	C3H6O	58.041864	NA	MeJP	NA	NA
+MJ000061	Propanal 	C3H6O	58.041864	NA	MeJP	NA	NA
+MJ000062	2-Propen-1-ol 	C3H6O	58.041864	NA	MeJP	NA	NA
+MJ000063	Acetone 	C3H6O	58.041864	NA	MeJP	NA	NA
+MJ000064	Propanal 	C3H6O	58.041864	NA	MeJP	NA	NA
+MetaCyc00074	acetone [dimethylketone;2-propanone;propanone;]	C3H6O1	58.041865	67-64-1	metacyc	NA	NA
+MetaCyc00075	(S)-1,2-epoxypropane []	C3H6O1	58.041865	NA	metacyc	NA	NA
+MetaCyc00076	(R)-1,2-epoxypropane []	C3H6O1	58.041865	NA	metacyc	NA	NA
+MetaCyc00077	propanal [Propionaldehyde;]	C3H6O1	58.041865	123-38-6	metacyc	NA	NA
+MetaCyc00078	(S)-1,2-epoxypropane []	C3H6O1	58.041865	NA	metacyc	NA	NA
+MetaCyc00079	allyl alcohol []	C3H6O1	58.041865	107-18-6	metacyc	NA	NA
+HMDB01659	Acetone	C3H6O	58.041866	NA	HMDB2010	NA	NA
+HMDB03366	Propanal	C3H6O	58.041866	NA	HMDB2010	NA	NA
+C00207	Acetone	C3H6O	58.0419	NA	KEGG	NA	NA
+C00479	Propanal	C3H6O	58.0419	NA	KEGG	NA	NA
+C00480	Pullulan	C3H6O	58.0419	NA	KEGG	NA	NA
+C02001	Allyl alcohol	C3H6O	58.0419	NA	KEGG	NA	NA
+C02002	C3a anaphylatoxin	C3H6O	58.0419	NA	KEGG	NA	NA
+C02003	Anthocyanidin	C15H9O5R2	58.0419	NA	KEGG	NA	NA
+C11506	(R)-1,2-Epoxypropane	C3H6O	58.0419	NA	KEGG	NA	NA
+C11507	(S)-1,2-Epoxypropane	C3H6O	58.0419	NA	KEGG	NA	NA
+C15508	1,2-Epoxypropane	C3H6O	58.0419	NA	KEGG	NA	NA
+MJ000065	2-Methylpropane 	C4H10	58.07825	NA	MeJP	NA	NA
+HMDB02287	Homocysteine thiolactone	C4H7NOS	58.512417	MH2+	Inhouse_peptide	NA	peptide
+HMDB00532	Acetylglycine	C4H7NO3	58.5212975	MH2+	Inhouse_peptide	NA	peptide
+HMDB00128	Guanidoacetic acid	C3H7N3O2	58.5269125	MH2+	Inhouse_peptide	NA	peptide
+HMDB00043	Betaine	C5H11NO2	58.5394895	MH2+	Inhouse_peptide	NA	peptide
+HMDB00883	L-Valine	C5H11NO2	58.5394895	MH2+	Inhouse_peptide	NA	peptide
+HMDB00608	Cobalt	[Co]2+	58.933189	NA	HMDB2010	NA	NA
+HMDB00608	Cobalt	Co	58.93319	http://www.hmdb.ca/metabolites/HMDB00608	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00608	Cobalt	Co	58.93319	http://www.hmdb.ca/metabolites/HMDB00608	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00608	Cobalt	Co	58.93319	http://www.hmdb.ca/metabolites/HMDB00608	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00608	Cobalt	Co	58.93319	http://www.hmdb.ca/metabolites/HMDB00608	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00608	Cobalt	Co	58.93319	http://www.hmdb.ca/metabolites/HMDB00608	HMDB	NA	NA
+HMDB00608	Cobalt	Co	58.93319	http://www.hmdb.ca/metabolites/HMDB00608	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00608	Cobalt	Co	58.93319	HMDB00608	PFEM_hmdb_metabocards_official	NA	NA
+C00175	Cobalt ion	Co	58.9332	NA	KEGG	NA	NA
+C00176	Flavin	C12H9N4O2R	58.9332	NA	KEGG	NA	NA
+MetaCyc00080	Co2+ [Co+2;Co++;cobalt ion;]	COBALT1	58.9332	7440-48-4	metacyc	NA	NA
+MJ000066	Thiocyanic acid 	CHNS	58.982969	NA	MeJP	NA	NA
+HMDB01453	Thiocyanate	CHNS	58.98297	http://www.hmdb.ca/metabolites/HMDB01453	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01453	Thiocyanate	CHNS	58.98297	http://www.hmdb.ca/metabolites/HMDB01453	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01453	Thiocyanate	CHNS	58.98297	http://www.hmdb.ca/metabolites/HMDB01453	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01453	Thiocyanate	CHNS	58.98297	http://www.hmdb.ca/metabolites/HMDB01453	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01453	Thiocyanate	CHNS	58.98297	http://www.hmdb.ca/metabolites/HMDB01453	HMDB	NA	NA
+MetaCyc00081	thiocyanate [thiocyanic acid;thiocyanate;hydrogen thiocyanate;]	C1H1N1S1	58.98297	463-56-9	metacyc	NA	NA
+HMDB01453	Thiocyanate	CHNS	58.98297	http://www.hmdb.ca/metabolites/HMDB01453	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01453	Thiocyanate	CHNS	58.98297	HMDB01453	PFEM_hmdb_metabocards_official	NA	NA
+C01755	Thiocyanate	CHNS	58.983	NA	KEGG	NA	NA
+C01812	Haloacetate	C2H3O2X	59.0133	NA	KEGG	NA	NA
+C01813	Haloalcohol	CH2OXR	59.0133	NA	KEGG	NA	NA
+MetaCyc00082	acetate [acet;acetic acid;ethanoic acid;]	C2H3O2	59.013304	71-50-1	metacyc	NA	NA
+C06244	Acetamide	C2H5NO	59.0371	NA	KEGG	NA	NA
+C06246	Gla protein	C7H8N2O6R2	59.0371	NA	KEGG	NA	NA
+C06247	Gla protein precursor	C6H8N2O4R2	59.0371	NA	KEGG	NA	NA
+C06735	Aminoacetaldehyde	C2H5NO	59.0371	NA	KEGG	NA	NA
+C11489	NMF	C2H5NO	59.0371	NA	KEGG	NA	NA
+HMDB03656	Acetaldehyde oxime	C2H5NO	59.03711	http://www.hmdb.ca/metabolites/HMDB03656	HMDB	NA	NA
+HMDB03656	Acetaldehyde oxime	C2H5NO	59.03711	HMDB03656	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01122	N-Methylformamide	C2H5NO	59.037113	NA	HMDB2010	NA	NA
+HMDB03656	Acetaldehyde oxime	C2H5NO	59.037113	NA	HMDB2010	NA	NA
+HMDB06284	L-2,4-diaminobutyric acid	C4H10N2O2	59.037113	MH2+	Inhouse_peptide	NA	peptide
+MJ000067	Acetamide 	C2H5NO	59.037113	NA	MeJP	NA	NA
+MJ000068	N-Methylformamide 	C2H5NO	59.037113	NA	MeJP	NA	NA
+MJ000069	Acetaldehyde oxime 	C2H5NO	59.037113	NA	MeJP	NA	NA
+MetaCyc00083	aminoacetaldehyde []	C2H5N1O1	59.037114	452-86-8	metacyc	NA	NA
+MetaCyc00084	acetamide []	C2H5N1O1	59.037114	60-35-5	metacyc	NA	NA
+HMDB01842	Guanidine	CH5N3	59.048347	NA	HMDB2010	NA	NA
+MJ000070	Guanidine 	CH5N3	59.048347	NA	MeJP	NA	NA
+HMDB01842	Guanidine	CH5N3	59.04835	http://www.hmdb.ca/metabolites/HMDB01842	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01842	Guanidine	CH5N3	59.04835	http://www.hmdb.ca/metabolites/HMDB01842	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01842	Guanidine	CH5N3	59.04835	http://www.hmdb.ca/metabolites/HMDB01842	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01842	Guanidine	CH5N3	59.04835	http://www.hmdb.ca/metabolites/HMDB01842	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01842	Guanidine	CH5N3	59.04835	http://www.hmdb.ca/metabolites/HMDB01842	HMDB	NA	NA
+HMDB01842	Guanidine	CH5N3	59.04835	http://www.hmdb.ca/metabolites/HMDB01842	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01842	Guanidine	CH5N3	59.04835	HMDB01842	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00906	Trimethylamine	C3H9N	59.073498	NA	HMDB2010	NA	NA
+MJ000071	Trimethylamine 	C3H9N	59.073499	NA	MeJP	NA	NA
+MJ000072	1-Propylamine 	C3H9N	59.073499	NA	MeJP	NA	NA
+MJ000073	Trimethylamine 	C3H9N	59.073499	NA	MeJP	NA	NA
+MetaCyc00085	trimethylamine [(CH3)3NH;(CH3)3NH+;]	C3H9N1	59.073499	75-50-3	metacyc	NA	NA
+MetaCyc00086	isopropylamine []	C3H9N1	59.073499	NA	metacyc	NA	NA
+HMDB00906	Trimethylamine	C3H9N	59.0735	http://www.hmdb.ca/metabolites/HMDB00906	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00906	Trimethylamine	C3H9N	59.0735	http://www.hmdb.ca/metabolites/HMDB00906	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00906	Trimethylamine	C3H9N	59.0735	http://www.hmdb.ca/metabolites/HMDB00906	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00906	Trimethylamine	C3H9N	59.0735	http://www.hmdb.ca/metabolites/HMDB00906	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00906	Trimethylamine	C3H9N	59.0735	http://www.hmdb.ca/metabolites/HMDB00906	HMDB	NA	NA
+C00565	Trimethylamine	C3H9N	59.0735	NA	KEGG	NA	NA
+C06748	Isopropylamine	C3H9N	59.0735	NA	KEGG	NA	NA
+HMDB00906	Trimethylamine	C3H9N	59.0735	http://www.hmdb.ca/metabolites/HMDB00906	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00906	Trimethylamine	C3H9N	59.0735	HMDB00906	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00167	L-Threonine	C4H9NO3	59.5291215	MH2+	Inhouse_peptide	NA	peptide
+MJ000074	Silica 	O2Si	59.966755	NA	MeJP	NA	NA
+C16459	Crystalline silica	SiO2	59.9668	NA	KEGG	NA	NA
+MetaCyc00087	carbonyl sulfide []	C1O1S1	59.966985	NA	metacyc	NA	NA
+C07331	Carbonyl sulfide	COS	59.967	NA	KEGG	NA	NA
+MetaCyc00088	thioformamide []	C1H2N1S1	59.990795	NA	metacyc	NA	NA
+MetaCyc00089	carbamate []	C1H2N1O2	60.008553	NA	metacyc	NA	NA
+C00033	Acetate	C2H4O2	60.0211	NA	KEGG	NA	NA
+C00266	Glycolaldehyde	C2H4O2	60.0211	NA	KEGG	NA	NA
+MJ000075	Acetate 	C2H4O2	60.021129	NA	MeJP	NA	NA
+MJ000076	Glycolaldehyde 	C2H4O2	60.021129	NA	MeJP	NA	NA
+MJ000077	Acetic acid 	C2H4O2	60.021129	NA	MeJP	NA	NA
+MetaCyc00090	glycolaldehyde [2-OH-acetaldehyde;glycolaldehyde;hydroxyacetaldehyde;2-hydroxyethanal;]	C2H4O2	60.021129	141-46-8	metacyc	NA	NA
+HMDB00042	Acetic acid	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB00042	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00042	Acetic acid	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB00042	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00042	Acetic acid	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB00042	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00042	Acetic acid	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB00042	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00042	Acetic acid	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB00042	HMDB	NA	NA
+HMDB03344	Glycolaldehyde	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB03344	HMDB	NA	NA
+HMDB00042	Acetic acid	C2H4O2	60.02113	http://www.hmdb.ca/metabolites/HMDB00042	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00042	Acetic acid	C2H4O2	60.02113	HMDB00042	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03344	Glycolaldehyde	C2H4O2	60.02113	HMDB03344	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00042	Acetic acid	C2H4O2	60.02113	NA	HMDB2010	NA	NA
+HMDB03344	Glycolaldehyde	C2H4O2	60.02113	NA	HMDB2010	NA	NA
+CJneg0001	Malonic acid [(M-H)-(CO2)]-	C2H3O2	60.021725	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0001	Malonic acid [(M-H)-(CO2)]-	C2H3O2	60.021725	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00294	Urea	CH4N2O	60.03236	http://www.hmdb.ca/metabolites/HMDB00294	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00294	Urea	CH4N2O	60.03236	http://www.hmdb.ca/metabolites/HMDB00294	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00294	Urea	CH4N2O	60.03236	http://www.hmdb.ca/metabolites/HMDB00294	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00294	Urea	CH4N2O	60.03236	http://www.hmdb.ca/metabolites/HMDB00294	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00294	Urea	CH4N2O	60.03236	http://www.hmdb.ca/metabolites/HMDB00294	HMDB	NA	NA
+HMDB00294	Urea	CH4N2O	60.03236	http://www.hmdb.ca/metabolites/HMDB00294	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00294	Urea	CH4N2O	60.03236	HMDB00294	PFEM_hmdb_metabocards_official	NA	NA
+MJ000078	Urea 	CH4N2O	60.032362	NA	MeJP	NA	NA
+MetaCyc00091	urea [bromisovalum;carmol;basodexan;carbamide;]	C1H4N2O1	60.032363	57-13-6	metacyc	NA	NA
+HMDB00294	Urea	CH4N2O	60.032364	NA	HMDB2010	NA	NA
+C00086	Urea	CH4N2O	60.0324	NA	KEGG	NA	NA
+C01845	Propan-2-ol	C3H8O	60.0575	NA	KEGG	NA	NA
+C05979	Propane-1-ol	C3H8O	60.0575	NA	KEGG	NA	NA
+C05980	Cardiolipin	C13H18O17P2R4	60.0575	NA	KEGG	NA	NA
+C05981	Phosphatidylinositol-3,4,5-trisphosphate	C11H20O22P4R2	60.0575	NA	KEGG	NA	NA
+HMDB00820	Propyl alcohol	C3H8O	60.05751	http://www.hmdb.ca/metabolites/HMDB00820	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00863	Isopropyl alcohol	C3H8O	60.05751	http://www.hmdb.ca/metabolites/HMDB00863	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00820	Propyl alcohol	C3H8O	60.05751	http://www.hmdb.ca/metabolites/HMDB00820	HMDB	NA	NA
+HMDB00863	Isopropyl alcohol	C3H8O	60.05751	http://www.hmdb.ca/metabolites/HMDB00863	HMDB	NA	NA
+HMDB00820	Propyl alcohol	C3H8O	60.05751	http://www.hmdb.ca/metabolites/HMDB00820	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00863	Isopropyl alcohol	C3H8O	60.05751	http://www.hmdb.ca/metabolites/HMDB00863	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00820	Propyl alcohol	C3H8O	60.05751	HMDB00820	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00863	Isopropyl alcohol	C3H8O	60.05751	HMDB00863	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00820	Propyl alcohol	C3H8O	60.057514	NA	HMDB2010	NA	NA
+HMDB00863	Isopropyl alcohol	C3H8O	60.057514	NA	HMDB2010	NA	NA
+MJ000079	2-Propanol 	C3H8O	60.057514	NA	MeJP	NA	NA
+MJ000080	Propan-2-ol 	C3H8O	60.057514	NA	MeJP	NA	NA
+MJ000081	Propane-1-ol 	C3H8O	60.057514	NA	MeJP	NA	NA
+MetaCyc00092	n-propanol [osmosol extra;optal;1-hydroxypropane;ethylcarbinol;propane-1-ol;1-propanol;propanol;propylalcohol;]	C3H8O1	60.057515	71-23-8	metacyc	NA	NA
+MetaCyc00093	iso-propanol [Propan-2-ol;iso-propylalcohol;2-hydroxypropane;2-propanol;]	C3H8O1	60.057515	67-63-0	metacyc	NA	NA
+MetaCyc00094	ethanediamine [1,2-ethanediamine;]	C2H8N2	60.068748	NA	metacyc	NA	NA
+MetaCyc00095	ethylenediamine [1,2-diaminoethane;1,2-ethanediamine;dimethylenediamine;]	C2H8N2	60.068748	333-18-6	metacyc	NA	NA
+HMDB00574	L-Cysteine	C3H7NO2S	60.5098765	MH2+	Inhouse_peptide	NA	peptide
+C17381	Dihydroxyaluminum	Al	60.987	NA	KEGG	NA	NA
+HMDB00595	Hydrogen carbonate	[HCO3]-	60.992569	NA	HMDB2010	NA	NA
+MetaCyc00096	HCO3- [HCO3;bicarbonate;CO32-;CO3-2;carbonate;]	C1H1O3	60.992569	144-55-8	metacyc	NA	NA
+HMDB00595	Hydrogen Carbonate	CHO3	60.99257	http://www.hmdb.ca/metabolites/HMDB00595	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00595	Hydrogen Carbonate	CHO3	60.99257	http://www.hmdb.ca/metabolites/HMDB00595	HMDB	NA	NA
+HMDB00595	Hydrogen Carbonate	CHO3	60.99257	http://www.hmdb.ca/metabolites/HMDB00595	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00595	Hydrogen Carbonate	CHO3	60.99257	HMDB00595	PFEM_hmdb_metabocards_official	NA	NA
+C00288	HCO3-	HCO3	60.9926	NA	KEGG	NA	NA
+HMDB03551	Carbamic acid	CH3NO2	61.016376	NA	HMDB2010	NA	NA
+MJ000082	Carbamate 	CH3NO2	61.016378	NA	MeJP	NA	NA
+HMDB03551	Carbamic acid	CH3NO2	61.01638	http://www.hmdb.ca/metabolites/HMDB03551	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03551	Carbamic acid	CH3NO2	61.01638	http://www.hmdb.ca/metabolites/HMDB03551	HMDB	NA	NA
+HMDB03551	Carbamic acid	CH3NO2	61.01638	http://www.hmdb.ca/metabolites/HMDB03551	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03551	Carbamic acid	CH3NO2	61.01638	HMDB03551	PFEM_hmdb_metabocards_official	NA	NA
+C01563	Carbamate	CH3NO2	61.0164	NA	KEGG	NA	NA
+HMDB00149	Ethanolamine	C2H7NO	61.05276	http://www.hmdb.ca/metabolites/HMDB00149	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00149	Ethanolamine	C2H7NO	61.05276	http://www.hmdb.ca/metabolites/HMDB00149	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00149	Ethanolamine	C2H7NO	61.05276	http://www.hmdb.ca/metabolites/HMDB00149	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00149	Ethanolamine	C2H7NO	61.05276	http://www.hmdb.ca/metabolites/HMDB00149	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00149	Ethanolamine	C2H7NO	61.05276	http://www.hmdb.ca/metabolites/HMDB00149	HMDB	NA	NA
+HMDB00149	Ethanolamine	C2H7NO	61.05276	http://www.hmdb.ca/metabolites/HMDB00149	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00149	Ethanolamine	C2H7NO	61.05276	HMDB00149	PFEM_hmdb_metabocards_official	NA	NA
+MJ000083	Ethanolamine 	C2H7NO	61.052763	NA	MeJP	NA	NA
+MJ000084	2-Aminoethanol 	C2H7NO	61.052763	NA	MeJP	NA	NA
+MetaCyc00097	ethanolamine [2-aminoethanol;monoethanolamine;colamine;ethanol-amine;]	C2H7N1O1	61.052764	141-43-5	metacyc	NA	NA
+HMDB00149	Ethanolamine	C2H7NO	61.052765	NA	HMDB2010	NA	NA
+C00189	Ethanolamine	C2H7NO	61.0528	NA	KEGG	NA	NA
+HMDB01488	Nicotinic acid	C6H5NO2	61.516014	MH2+	Inhouse_peptide	NA	peptide
+HMDB02243	Picolinic acid	C6H5NO2	61.516014	MH2+	Inhouse_peptide	NA	peptide
+C16845	Peroxynitrite	NO3	61.9878	NA	KEGG	NA	NA
+MetaCyc00098	NO3- [NO3;nitrate;]	N1O3	61.987818	14797-55-8	metacyc	NA	NA
+HMDB02878	Nitrate	NO3	61.98782	http://www.hmdb.ca/metabolites/HMDB02878	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02179	Peroxynitrite	NO3	61.98782	http://www.hmdb.ca/metabolites/HMDB02179	HMDB	NA	NA
+HMDB02878	Nitrate	NO3	61.98782	http://www.hmdb.ca/metabolites/HMDB02878	HMDB	NA	NA
+HMDB02878	Nitrate	NO3	61.98782	http://www.hmdb.ca/metabolites/HMDB02878	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02179	Peroxynitrite	NO3	61.98782	HMDB02179	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02878	Nitrate	NO3	61.98782	HMDB02878	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02179	Peroxynitrite	[NO3]-	61.98782	NA	HMDB2010	NA	NA
+HMDB02878	Nitrate	[NO3]-	61.98782	NA	HMDB2010	NA	NA
+C06793	Vinyl chloride	C2H3Cl	61.9923	NA	KEGG	NA	NA
+MJ000085	Vinyl chloride 	C2H3Cl	61.992327	NA	MeJP	NA	NA
+MetaCyc00099	vinyl-chloride [VC;]	C2H3CL1	61.992328	NA	metacyc	NA	NA
+HMDB03538	Carbonic acid	CH2O3	62.000389	NA	HMDB2010	NA	NA
+HMDB03538	Carbonic acid	CH2O3	62.00039	http://www.hmdb.ca/metabolites/HMDB03538	HMDB	NA	NA
+HMDB03538	Carbonic acid	CH2O3	62.00039	HMDB03538	PFEM_hmdb_metabocards_official	NA	NA
+MJ000086	H2CO3 	CH2O3	62.000393	NA	MeJP	NA	NA
+MetaCyc00100	H2CO3 [carbonic acid;]	C1H2O3	62.000394	463-79-6	metacyc	NA	NA
+C01353	Carbonic acid	H2CO3	62.0004	NA	KEGG	NA	NA
+C01355	Fructan	H2CO3	62.0004	NA	KEGG	NA	NA
+C01356	Lipid	H2CO3	62.0004	NA	KEGG	NA	NA
+C01818	Hyponitrite	N2H2O2	62.0116	NA	KEGG	NA	NA
+MetaCyc00101	hyponitrous acid [hyponitrite;]	H2N2O2	62.011627	NA	metacyc	NA	NA
+MJ000087	Fluoroacetaldehyde 	C2H3FO	62.016792	NA	MeJP	NA	NA
+C15488	Fluoroacetaldehyde	C2H3FO	62.0168	NA	KEGG	NA	NA
+C12486	Boric acid	H3BO3	62.0175	NA	KEGG	NA	NA
+C12487	Transferred to D01090	H3BO3	62.0175	NA	KEGG	NA	NA
+C12488	Transferred to D01091	H3BO3	62.0175	NA	KEGG	NA	NA
+C12489	Transferred to D01092	H3BO3	62.0175	NA	KEGG	NA	NA
+MJ000088	Boric acid (H3BO3) 	BH3O3	62.017524	NA	MeJP	NA	NA
+C00580	Dimethyl sulfide	C2H6S	62.019	NA	KEGG	NA	NA
+HMDB02303	Dimethylsulfide	C2H6S	62.01902	http://www.hmdb.ca/metabolites/HMDB02303	HMDB	NA	NA
+HMDB02303	Dimethylsulfide	C2H6S	62.01902	HMDB02303	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02303	Dimethylsulfide	C2H6S	62.01902	NA	HMDB2010	NA	NA
+MetaCyc00102	dimethylsulfide [reduced dimethyl sulfoxide;dimethyl sulphide;dimethylsulphide;DMS;dimethyl sulfide;]	C2H6S1	62.019021	75-18-3	metacyc	NA	NA
+MJ000089	Glycol 	C2H6O2	62.036779	NA	MeJP	NA	NA
+MetaCyc00103	ethylene glycol [monoethylene glycol;2-hydroxyethanol;ethanediol;1,2-ethanediol;glycol;]	C2H6O2	62.036779	107-21-1	metacyc	NA	NA
+C01380	Ethylene glycol	C2H6O2	62.0368	NA	KEGG	NA	NA
+C15588	Glycol	C2H6O2	62.0368	NA	KEGG	NA	NA
+HMDB00251	Taurine	C2H7NO3S	62.507332	MH2+	Inhouse_peptide	NA	peptide
+HMDB00657	Copper	Cu	62.9296	http://www.hmdb.ca/metabolites/HMDB00657	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00657	Copper	Cu	62.9296	http://www.hmdb.ca/metabolites/HMDB00657	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00657	Copper	Cu	62.9296	http://www.hmdb.ca/metabolites/HMDB00657	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00657	Copper	Cu	62.9296	http://www.hmdb.ca/metabolites/HMDB00657	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00657	Copper	Cu	62.9296	http://www.hmdb.ca/metabolites/HMDB00657	HMDB	NA	NA
+C00070	Copper	Cu	62.9296	NA	KEGG	NA	NA
+C00071	Aldehyde	CHOR	62.9296	NA	KEGG	NA	NA
+HMDB00657	Copper	Cu	62.9296	http://www.hmdb.ca/metabolites/HMDB00657	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00657	Copper	Cu	62.9296	HMDB00657	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00657	Copper	[Cu]2+	62.9296	NA	HMDB2010	NA	NA
+MetaCyc00104	Cu2+ [Cu+2;Cu++;cupric ion;]	CU1	62.929601	NA	metacyc	NA	NA
+MetaCyc00105	Cu+ [Cu(I);cuprous ion;]	CU1	62.929601	NA	metacyc	NA	NA
+C00244	Nitrate	HNO3	62.9956	NA	KEGG	NA	NA
+MJ000090	Nitrate 	HNO3	62.995642	NA	MeJP	NA	NA
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	63.0214655	MH2+	Inhouse_peptide	NA	peptide
+C00038	Zinc	Zn	63.9291	NA	KEGG	NA	NA
+C00039	DNA	C10H17O8PR2	63.9291	NA	KEGG	NA	NA
+C00040	Acyl-CoA	C22H35N7O17P3SR	63.9291	NA	KEGG	NA	NA
+HMDB01303	Zinc	[Zn]2+	63.929138	NA	HMDB2010	NA	NA
+HMDB01303	Zinc	Zn	63.92914	http://www.hmdb.ca/metabolites/HMDB01303	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01303	Zinc	Zn	63.92914	http://www.hmdb.ca/metabolites/HMDB01303	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01303	Zinc	Zn	63.92914	http://www.hmdb.ca/metabolites/HMDB01303	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01303	Zinc	Zn	63.92914	http://www.hmdb.ca/metabolites/HMDB01303	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01303	Zinc	Zn	63.92914	http://www.hmdb.ca/metabolites/HMDB01303	HMDB	NA	NA
+HMDB01303	Zinc	Zn	63.92914	http://www.hmdb.ca/metabolites/HMDB01303	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01303	Zinc	Zn	63.92914	HMDB01303	PFEM_hmdb_metabocards_official	NA	NA
+C09306	Sulfur dioxide	SO2	63.9619	NA	KEGG	NA	NA
+MetaCyc00106	sulphur dioxide [sulfur dioxide;SO2;]	O2S1	63.9619	09/05/7446	metacyc	NA	NA
+MJ000091	Chloroethane 	C2H5Cl	64.007977	NA	MeJP	NA	NA
+HMDB00267	Pyroglutamic acid	C5H7NO3	64.5212935	MH2+	Inhouse_peptide	NA	peptide
+HMDB00070	Pipecolic acid	C6H11NO2	64.5394895	MH2+	Inhouse_peptide	NA	peptide
+HMDB00716	L-Pipecolic acid	C6H11NO2	64.5394895	MH2+	Inhouse_peptide	NA	peptide
+HMDB05960	D-Pipecolic acid	C6H11NO2	64.5394895	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00107	KCN [kalium cyanid;]	C1N1K1	64.966781	NA	metacyc	NA	NA
+MJ000092	Sodium cyanate 	CNNaO	64.987758	NA	MeJP	NA	NA
+MetaCyc00108	sodium azide [azide;NaN3;hydrazoic acid, sodium salt;]	N3NA1	64.998992	26628-22-8	metacyc	NA	NA
+MetaCyc04470	Zn2+ [Zinc;Zn+2;Zn++;zinc ion;]	NA	65.38	7440-66-6	metacyc	NA	NA
+HMDB00725	Hydroxyproline	C5H9NO3	65.5291215	MH2+	Inhouse_peptide	NA	peptide
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	65.5291215	MH2+	Inhouse_peptide	NA	peptide
+HMDB06055	4-Hydroxy-L-proline	C5H9NO3	65.5291215	MH2+	Inhouse_peptide	NA	peptide
+HMDB00064	Creatine	C4H9N3O2	65.5347365	MH2+	Inhouse_peptide	NA	peptide
+HMDB00172	L-Isoleucine	C6H13NO2	65.5473175	MH2+	Inhouse_peptide	NA	peptide
+HMDB00557	L-Alloisoleucine	C6H13NO2	65.5473175	MH2+	Inhouse_peptide	NA	peptide
+HMDB00687	L-Leucine	C6H13NO2	65.5473175	MH2+	Inhouse_peptide	NA	peptide
+HMDB01901	Aminocaproic acid	C6H13NO2	65.5473175	MH2+	Inhouse_peptide	NA	peptide
+HMDB03640	Beta-Leucine	C6H13NO2	65.5473175	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00109	hypophosphite [phosphinate;phosphinic acid;]	H3O2P1	65.987066	10039-56-2	metacyc	NA	NA
+C05339	Phosphinate	H3PO2	65.9871	NA	KEGG	NA	NA
+7616	ACE inhibitor	GG	66.021	MH2+	Inhouse_peptide	NA	peptide
+HMDB00168	L-Asparagine	C4H8N2O3	66.0267485	MH2+	Inhouse_peptide	NA	peptide
+MJ000093	1,1-Difluoroethane 	C2H4F2	66.028106	NA	MeJP	NA	NA
+MJ000094	Lithium acetate 	C2H3LiO2	66.029308	NA	MeJP	NA	NA
+HMDB00214	Ornithine	C5H12N2O2	66.044937	MH2+	Inhouse_peptide	NA	peptide
+HMDB03374	D-Ornithine	C5H12N2O2	66.044937	MH2+	Inhouse_peptide	NA	peptide
+HMDB00191	L-Aspartic acid	C4H7NO4	66.518753	MH2+	Inhouse_peptide	NA	peptide
+HMDB06483	D-Aspartic acid	C4H7NO4	66.518753	MH2+	Inhouse_peptide	NA	peptide
+HMDB02077	Chlorite	[ClO2]-	66.958679	NA	HMDB2010	NA	NA
+MJ000095	3-Butenoic acid; Nitrile 	C4H5N	67.042199	NA	MeJP	NA	NA
+MJ000096	Pyrrole 	C4H5N	67.042199	NA	MeJP	NA	NA
+HMDB00742	Homocysteine	C4H9NO2S	67.5177	MH2+	Inhouse_peptide	NA	peptide
+C01486	Chlorite	HO2Cl	67.9665	NA	KEGG	NA	NA
+MetaCyc00110	chlorite []	H1O2CL1	67.966507	NA	metacyc	NA	NA
+HMDB02077	Chlorite	ClHO2	67.96651	http://www.hmdb.ca/metabolites/HMDB02077	HMDB	NA	NA
+HMDB02077	Chlorite	ClHO2	67.96651	HMDB02077	PFEM_hmdb_metabocards_official	NA	NA
+C06145	3-Butyn-1-al	C4H4O	68.0262	NA	KEGG	NA	NA
+C14275	Furan	C4H4O	68.0262	NA	KEGG	NA	NA
+HMDB06853	3-Butyn-1-al	C4H4O	68.02621	http://www.hmdb.ca/metabolites/HMDB06853	HMDB	NA	NA
+HMDB06853	3-Butyn-1-al	C4H4O	68.02621	HMDB06853	PFEM_hmdb_metabocards_official	NA	NA
+MJ000097	Furan 	C4H4O	68.026214	NA	MeJP	NA	NA
+HMDB06853	3-Butyn-1-al	C4H4O	68.026215	NA	HMDB2010	NA	NA
+C00481	Pyrazole	C3H4N2	68.0374	NA	KEGG	NA	NA
+C01589	Imidazole	C3H4N2	68.0374	NA	KEGG	NA	NA
+HMDB01525	Imidazole	C3H4N2	68.037445	NA	HMDB2010	NA	NA
+MJ000098	2-Amino-2-propenoic acid; Nitrile 	C3H4N2	68.037448	NA	MeJP	NA	NA
+MJ000099	Imidazole 	C3H4N2	68.037448	NA	MeJP	NA	NA
+MetaCyc00111	pyrazole [1,2-diazole;]	C3H4N2	68.037448	NA	metacyc	NA	NA
+MetaCyc00112	imidazole [imidazole;]	C3H4N2	68.037448	288-32-4	metacyc	NA	NA
+HMDB01525	Imidazole	C3H4N2	68.03745	http://www.hmdb.ca/metabolites/HMDB01525	HMDB	NA	NA
+HMDB01525	Imidazole	C3H4N2	68.03745	HMDB01525	PFEM_hmdb_metabocards_official	NA	NA
+C16521	Isoprene	C5H8	68.0626	NA	KEGG	NA	NA
+MJ000100	2-Methyl-1,3-butadiene 	C5H8	68.0626	NA	MeJP	NA	NA
+MJ000101	2-Pentyne 	C5H8	68.0626	NA	MeJP	NA	NA
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	68.523842	MH2+	Inhouse_peptide	NA	peptide
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	68.523842	MH2+	Inhouse_peptide	NA	peptide
+HMDB01478	Gallium	Ga	68.92557	http://www.hmdb.ca/metabolites/HMDB01478	HMDB	NA	NA
+HMDB01478	Gallium	Ga	68.92557	HMDB01478	PFEM_hmdb_metabocards_official	NA	NA
+MJ000102	Sodium nitrite 	NNaO2	68.982672	NA	MeJP	NA	NA
+C11598	Hydroxylamine hydrochloride	NH3O	68.9981	NA	KEGG	NA	NA
+HMDB00301	Urocanic acid	C6H6N2O2	69.0214615	MH2+	Inhouse_peptide	NA	peptide
+C02420	Isobutyronitrile	C4H7N	69.0578	NA	KEGG	NA	NA
+C15668	1-Pyrroline	C4H7N	69.0578	NA	KEGG	NA	NA
+C15669	Teicoplanin A3	C66H57Cl2N8O23	69.0578	NA	KEGG	NA	NA
+MJ000103	3,4-Dihydro-2H-pyrrole 	C4H7N	69.057849	NA	MeJP	NA	NA
+MetaCyc00113	1-pyrroline []	C4H7N1	69.057849	NA	metacyc	NA	NA
+MetaCyc00114	2-methylpropionitrile []	C4H7N1	69.057849	NA	metacyc	NA	NA
+HMDB06804	Propynoic acid	C3H2O2	70.005478	NA	HMDB2010	NA	NA
+MJ000104	Propynoate 	C3H2O2	70.005479	NA	MeJP	NA	NA
+MetaCyc00115	propynoate [acetylene monocarboxylic acid;Propiolic acid;Acetylenecarboxylic acid;Acetylenemonocarboxylate;]	C3H2O2	70.005479	471-25-0	metacyc	NA	NA
+HMDB06804	Propynoate	C3H2O2	70.00548	http://www.hmdb.ca/metabolites/HMDB06804	HMDB	NA	NA
+HMDB06804	Propynoate	C3H2O2	70.00548	HMDB06804	PFEM_hmdb_metabocards_official	NA	NA
+C00804	Propynoate	C3H2O2	70.0055	NA	KEGG	NA	NA
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	70.029289	MH2+	Inhouse_peptide	NA	peptide
+HMDB04988	Pi-Methylimidazoleacetic acid	C6H8N2O2	70.029289	MH2+	Inhouse_peptide	NA	peptide
+MJ000105	3-Butyn-1-al 	C4H6O	70.041864	NA	MeJP	NA	NA
+MJ000106	2,5-Dihydrofuran 	C4H6O	70.041864	NA	MeJP	NA	NA
+MJ000107	2-Butenal 	C4H6O	70.041864	NA	MeJP	NA	NA
+MJ000108	2-Methyl-2-propenal 	C4H6O	70.041864	NA	MeJP	NA	NA
+MJ000109	3-Buten-2-one 	C4H6O	70.041864	NA	MeJP	NA	NA
+MJ000110	Divinyl ether 	C4H6O	70.041864	NA	MeJP	NA	NA
+C06146	3-Butyn-1-ol	C4H6O	70.0419	NA	KEGG	NA	NA
+C06147	((R)-3-Hydroxybutanoyl)(n-2)	C4H6O	70.0419	NA	KEGG	NA	NA
+C17721	Vinyl ether	C4H6O	70.0419	NA	KEGG	NA	NA
+MJ000111	alpha-Aminopropiononitrile 	C3H6N2	70.053098	NA	MeJP	NA	NA
+MJ000112	beta-Aminopropionitrile 	C3H6N2	70.053098	NA	MeJP	NA	NA
+MJ000113	3-Aminopropanoic acid; Nitrile 	C3H6N2	70.053098	NA	MeJP	NA	NA
+MetaCyc00116	&beta;-aminopropionitrile [3-aminopropanenitrile;aminopropionitrile;2-cyanoethylamine;3-aminopropionitrile;&beta;-alaminenitrile;&beta;-alaninenitrile;3-amino-propatenitrile;3-amino-propionitrile,;&beta;-cyanoethylamine;]	C3H6N2	70.053098	NA	metacyc	NA	NA
+HMDB04101	beta-Aminopropionitrile	C3H6N2	70.0531	http://www.hmdb.ca/metabolites/HMDB04101	HMDB	NA	NA
+C05670	beta-Aminopropionitrile	C3H6N2	70.0531	NA	KEGG	NA	NA
+C05714	alpha-Aminopropiononitrile	C3H6N2	70.0531	NA	KEGG	NA	NA
+HMDB04101	beta-Aminopropionitrile	C3H6N2	70.0531	HMDB04101	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04101	Beta-Aminopropionitrile	C3H6N2	70.053101	NA	HMDB2010	NA	NA
+MJ000114	2-Methyl-2-butene 	C5H10	70.07825	NA	MeJP	NA	NA
+C01659	Acrylamide	C3H5NO	71.0371	NA	KEGG	NA	NA
+HMDB04296	Acrylamide	C3H5NO	71.03711	http://www.hmdb.ca/metabolites/HMDB04296	HMDB	NA	NA
+HMDB04296	Acrylamide	C3H5NO	71.03711	HMDB04296	PFEM_hmdb_metabocards_official	NA	NA
+MJ000115	2-Propenoic acid; Amide 	C3H5NO	71.037113	NA	MeJP	NA	NA
+MJ000116	Acrylamide 	C3H5NO	71.037113	NA	MeJP	NA	NA
+MetaCyc00117	acrylamide []	C3H5N1O1	71.037114	NA	metacyc	NA	NA
+HMDB04296	Acrylamide	C3H5NO	71.037117	NA	HMDB2010	NA	NA
+MetaCyc00118	2-pyrazoline []	C3H7N2	71.060923	NA	metacyc	NA	NA
+MJ000117	Pyrrolidine 	C4H9N	71.073499	NA	MeJP	NA	NA
+MetaCyc00119	pyrrolidine [pyrrolidine;tetrahydropyrrol;]	C4H9N1	71.073499	123-75-1	metacyc	NA	NA
+C12244	3-Buten-1-amine	C4H9N	71.0735	NA	KEGG	NA	NA
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR273	Valine F2	NA	71.077175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR273	Valine F2	NA	71.077175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR273	Valine F2	NA	71.077175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR273	Valine F2	F2	71.077175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR273	Valine F2	NA	71.077175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR273	Valine F2	F2	71.077175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04827	Proline betaine	C7H13NO2	71.5473175	MH2+	Inhouse_peptide	NA	peptide
+C17392	Calcium sulfide	CaS	71.9347	NA	KEGG	NA	NA
+MJ000118	Calcium peroxide (CaO2) 	CaO2	71.95242	NA	MeJP	NA	NA
+EUR204	Malondialdehyde	C3H4O2	72.0211	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR204	Malondialdehyde	C3H4O2	72.0211	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR204	Malondialdehyde	C3H4O2	72.0211	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR204	Malondialdehyde	C3H4O2	72.0211	Wishlist	Inhousejuil11	NA	NA
+C00511	Propenoate	C3H4O2	72.0211	NA	KEGG	NA	NA
+C00546	Methylglyoxal	C3H4O2	72.0211	NA	KEGG	NA	NA
+HMDB01167	Pyruvaldehyde	C3H4O2	72.021126	NA	HMDB2010	NA	NA
+HMDB06112	Malondialdehyde	C3H4O2	72.021126	NA	HMDB2010	NA	NA
+MJ000119	Methylglyoxal 	C3H4O2	72.021129	NA	MeJP	NA	NA
+MJ000120	Propenoate 	C3H4O2	72.021129	NA	MeJP	NA	NA
+MJ000121	2-Oxetanone 	C3H4O2	72.021129	NA	MeJP	NA	NA
+MJ000122	2-Propenoic acid 	C3H4O2	72.021129	NA	MeJP	NA	NA
+MJ000123	Pyruvaldehyde 	C3H4O2	72.021129	NA	MeJP	NA	NA
+MetaCyc00120	methylglyoxal [oxopropanal;acetylformaldehyde;pyruvic aldehyde;pyruvaldehyde;methyl-glyoxal;2-oxo-propanal;]	C3H4O2	72.021129	78-98-8	metacyc	NA	NA
+MetaCyc00121	acrylate []	C3H4O2	72.021129	NA	metacyc	NA	NA
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01167	Pyruvaldehyde	C3H4O2	72.02113	http://www.hmdb.ca/metabolites/HMDB01167	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06112	Malondialdehyde	C3H4O2	72.02113	http://www.hmdb.ca/metabolites/HMDB06112	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01167	Pyruvaldehyde	C3H4O2	72.02113	http://www.hmdb.ca/metabolites/HMDB01167	HMDB	NA	NA
+HMDB06112	Malondialdehyde	C3H4O2	72.02113	http://www.hmdb.ca/metabolites/HMDB06112	HMDB	NA	NA
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	HMDB	NA	NA
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	Inhouse_PFEM	NA	NA
+HMDB01167	Pyruvaldehyde	C3H4O2	72.02113	http://www.hmdb.ca/metabolites/HMDB01167	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06112	Malondialdehyde	C3H4O2	72.02113	http://www.hmdb.ca/metabolites/HMDB06112	PFEM_hmdb_metabocards_blood	NA	blood
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR204	Malondialdehyde	C3H4O2	72.02113	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01167	Pyruvaldehyde	C3H4O2	72.02113	HMDB01167	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06112	Malondialdehyde	C3H4O2	72.02113	HMDB06112	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0002	Maleic acid [(M-H)-(CO2)]-	C3H3O2	72.021725	C18rt(min)=1.6 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0003	Fumaric acid [(M-H)-(CO2)]-	C3H3O2	72.021725	C18rt(min)=1.1 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0002	Maleic acid [(M-H)-(CO2)]-	C3H3O2	72.021725	C18rt(min)=1.6 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0003	Fumaric acid [(M-H)-(CO2)]-	C3H3O2	72.021725	C18rt(min)=1.1 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C01412	Butanal	C4H8O	72.0575	NA	KEGG	NA	NA
+C02845	Methyl ethyl ketone	C4H8O	72.0575	NA	KEGG	NA	NA
+HMDB00246	Tetrahydrofuran	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB00246	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00474	Butanone	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB00474	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00246	Tetrahydrofuran	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB00246	HMDB	NA	NA
+HMDB00474	Butanone	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB00474	HMDB	NA	NA
+HMDB03543	Butanal	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB03543	HMDB	NA	NA
+HMDB00246	Tetrahydrofuran	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB00246	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00474	Butanone	C4H8O	72.05751	http://www.hmdb.ca/metabolites/HMDB00474	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00246	Tetrahydrofuran	C4H8O	72.05751	HMDB00246	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00474	Butanone	C4H8O	72.05751	HMDB00474	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03543	Butanal	C4H8O	72.05751	HMDB03543	PFEM_hmdb_metabocards_official	NA	NA
+MJ000124	2-Butanone 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000125	2-Buten-1-ol 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000126	2-Methylpropanal 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000127	3-Buten-1-ol 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000128	Butanal 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000129	Ethyl vinyl ether 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000130	3-Butyn-1-ol 	C4H8O	72.057514	NA	MeJP	NA	NA
+MJ000131	Butanal 	C4H8O	72.057514	NA	MeJP	NA	NA
+MetaCyc00122	methyl ethyl ketone [MEK;methylethylketone;butanone;2-butanone;ethylmethylketone;]	C4H8O1	72.057515	78-93-3	metacyc	NA	NA
+MetaCyc00123	isobutanal [isobutyraldehyde;]	C4H8O1	72.057515	NA	metacyc	NA	NA
+MetaCyc00124	butyraldehyde [1-butanal;butanal;n-butyraldehyde;]	C4H8O1	72.057515	123-72-8	metacyc	NA	NA
+HMDB00246	Tetrahydrofuran	C4H8O	72.057518	NA	HMDB2010	NA	NA
+HMDB00474	Butanone	C4H8O	72.057518	NA	HMDB2010	NA	NA
+HMDB03543	Butanal	C4H8O	72.057518	NA	HMDB2010	NA	NA
+MetaCyc00125	pyrazolidine []	C3H8N2	72.068748	NA	metacyc	NA	NA
+MJ000132	Pentane 	C5H12	72.0939	NA	MeJP	NA	NA
+HMDB03681	4-Acetamidobutanoic acid	C6H11NO3	72.536949	MH2+	Inhouse_peptide	NA	peptide
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	72.5425645	MH2+	Inhouse_peptide	NA	peptide
+MJ000133	Methyl isothiocyanate 	C2H3NS	72.998619	NA	MeJP	NA	NA
+C15809	Iminoglycine	C2H3NO2	73.0164	NA	KEGG	NA	NA
+C15810	C15810	C2H3NO2	73.0164	NA	KEGG	NA	NA
+C15811	[Enzyme]-cysteine	C4H6N2O2SR2	73.0164	NA	KEGG	NA	NA
+C15812	[Enzyme]-S-sulfanylcysteine	C4H6N2O2S2R2	73.0164	NA	KEGG	NA	NA
+C15813	C15813	C4H6N2O2S2R2	73.0164	NA	KEGG	NA	NA
+C15814	C15814	C4H6N2O2S2R2	73.0164	NA	KEGG	NA	NA
+C15815	C15815	C4H6N2O2S2R2	73.0164	NA	KEGG	NA	NA
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR213	Cysteine F3	NA	73.021875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR213	Cysteine F3	NA	73.021875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR213	Cysteine F3	NA	73.021875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR213	Cystéine F3	F3	73.021875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR213	Cysteine F3	NA	73.021875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR213	Cysteine F3	F3	73.021875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7598	ACE inhibitor	GA	73.029	MH2+	Inhouse_peptide	NA	peptide
+7600	ACE inhibitor	AG	73.029	MH2+	Inhouse_peptide	NA	peptide
+HMDB00641	L-Glutamine	C5H10N2O3	73.034569	MH2+	Inhouse_peptide	NA	peptide
+HMDB02134	Aminoacetone	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB02134	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02134	Aminoacetone	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB02134	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02134	Aminoacetone	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB02134	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02134	Aminoacetone	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB02134	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01106	3-Aminopropionaldehyde	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB01106	HMDB	NA	NA
+HMDB01888	N,N-Dimethylformamide	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB01888	HMDB	NA	NA
+HMDB02134	Aminoacetone	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB02134	HMDB	NA	NA
+HMDB02134	Aminoacetone	C3H7NO	73.05276	http://www.hmdb.ca/metabolites/HMDB02134	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01106	3-Aminopropionaldehyde	C3H7NO	73.05276	HMDB01106	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01888	N,N-Dimethylformamide	C3H7NO	73.05276	HMDB01888	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02134	Aminoacetone	C3H7NO	73.05276	HMDB02134	PFEM_hmdb_metabocards_official	NA	NA
+MJ000134	Aminoacetone 	C3H7NO	73.052763	NA	MeJP	NA	NA
+MJ000135	beta-Aminopropion aldehyde 	C3H7NO	73.052763	NA	MeJP	NA	NA
+MJ000136	1-Amino-2-propanone 	C3H7NO	73.052763	NA	MeJP	NA	NA
+MJ000137	Dimethylformamide 	C3H7NO	73.052763	NA	MeJP	NA	NA
+MetaCyc00126	propionamide [propanamide;propanimidic acid;propionic acid;propionic acid amide;propionic amide;propionimidic acid;propylamide;]	C3H7N1O1	73.052764	NA	metacyc	NA	NA
+MetaCyc00127	3-aminopropionaldehyde [3-APA;]	C3H7N1O1	73.052764	NA	metacyc	NA	NA
+MetaCyc00128	N,N-Dimethylformamide [N,N-Dimethylmethanamide;DMF;]	C3H7N1O1	73.052764	68-12-2	metacyc	NA	NA
+MetaCyc00129	aminoacetone []	C3H7N1O1	73.052764	298-08-8	metacyc	NA	NA
+MetaCyc00130	acetone-oxime []	C3H7N1O1	73.052764	127-06-0	metacyc	NA	NA
+MetaCyc00131	3-amino-propanal []	C3H7N1O1	73.052764	NA	metacyc	NA	NA
+HMDB01106	3-Aminopropionaldehyde	C3H7NO	73.052765	NA	HMDB2010	NA	NA
+HMDB01888	N,N-Dimethylformamide	C3H7NO	73.052765	NA	HMDB2010	NA	NA
+HMDB02134	Aminoacetone	C3H7NO	73.052765	NA	HMDB2010	NA	NA
+HMDB00182	L-Lysine	C6H14N2O2	73.052765	MH2+	Inhouse_peptide	NA	peptide
+C01888	Aminoacetone	C3H7NO	73.0528	NA	KEGG	NA	NA
+C01889	Arabinoxylan	C3H7NO	73.0528	NA	KEGG	NA	NA
+C01890	Arylalkylamine	NH2R	73.0528	NA	KEGG	NA	NA
+C01995	Acetone oxime	C3H7NO	73.0528	NA	KEGG	NA	NA
+C03134	N,N-Dimethylformamide	C3H7NO	73.0528	NA	KEGG	NA	NA
+C03135	N-Acetyl-D-amino acid	C4H6NO3R	73.0528	NA	KEGG	NA	NA
+C05665	3-Aminopropanal	C3H7NO	73.0528	NA	KEGG	NA	NA
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR226	Threonine F4	NA	73.056475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR226	Threonine F4	NA	73.056475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR226	Threonine F4	NA	73.056475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR226	Thréonin F4	F4	73.056475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR226	Threonine F4	NA	73.056475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR226	Threonin F4	F4	73.056475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	73.0590515	MH2+	Inhouse_peptide	NA	peptide
+HMDB01522	Methylguanidine	C2H7N3	73.063995	NA	HMDB2010	NA	NA
+MetaCyc00132	methylguanidine []	C2H7N3	73.063997	471-29-4	metacyc	NA	NA
+HMDB01522	Methylguanidine	C2H7N3	73.064	http://www.hmdb.ca/metabolites/HMDB01522	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01522	Methylguanidine	C2H7N3	73.064	http://www.hmdb.ca/metabolites/HMDB01522	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01522	Methylguanidine	C2H7N3	73.064	http://www.hmdb.ca/metabolites/HMDB01522	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01522	Methylguanidine	C2H7N3	73.064	http://www.hmdb.ca/metabolites/HMDB01522	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01522	Methylguanidine	C2H7N3	73.064	http://www.hmdb.ca/metabolites/HMDB01522	HMDB	NA	NA
+C02294	Methylguanidine	C2H7N3	73.064	NA	KEGG	NA	NA
+HMDB01522	Methylguanidine	C2H7N3	73.064	http://www.hmdb.ca/metabolites/HMDB01522	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01522	Methylguanidine	C2H7N3	73.064	HMDB01522	PFEM_hmdb_metabocards_official	NA	NA
+C02787	2-Methylpropanamine	C4H11N	73.0891	NA	KEGG	NA	NA
+C02789	3'-Extranucleotides	C10H17O10PR2	73.0891	NA	KEGG	NA	NA
+C02790	3'-Hydroxyflavonoid	C10H17O10PR2	73.0891	NA	KEGG	NA	NA
+MJ000138	1-Butylamine 	C4H11N	73.089149	NA	MeJP	NA	NA
+MJ000139	2-Methyl-1-propylamine 	C4H11N	73.089149	NA	MeJP	NA	NA
+MJ000140	Tetramethylammonium(1+) 	C4H12N(+)	73.089149	NA	MeJP	NA	NA
+MetaCyc00133	diethylamine []	C4H11N1	73.089149	109-89-7	metacyc	NA	NA
+MetaCyc00134	2-methylpropanamine [2-Methyl-1-propanamine;Isobutylamine;]	C4H11N1	73.089149	78-81-9	metacyc	NA	NA
+MetaCyc00135	butylamine [N-butylamine;1-butylamine;butylamine;butanamine;1-butanamine;]	C4H11N1	73.089149	109-73-9	metacyc	NA	NA
+MetaCyc00136	sec-butylamine [2-aminobutane;2-aminobutane base;2-butanamine;2-butylamine;butafume;deccotane;butanamine;frucote;methylpropylamine;]	C4H11N1	73.089149	13952-84-6	metacyc	NA	NA
+HMDB00148	L-Glutamic acid	C5H9NO4	73.526581	MH2+	Inhouse_peptide	NA	peptide
+HMDB03339	D-Glutamic acid	C5H9NO4	73.526581	MH2+	Inhouse_peptide	NA	peptide
+HMDB02501	Germanium	Ge	73.92118	http://www.hmdb.ca/metabolites/HMDB02501	HMDB	NA	NA
+HMDB02501	Germanium	Ge	73.92118	HMDB02501	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02501	Germanium	[Ge]4+	73.921181	NA	HMDB2010	NA	NA
+C15472	Germanium	Ge	73.9212	NA	KEGG	NA	NA
+MJ000141	Potassium chloride 	ClK	73.932559	NA	MeJP	NA	NA
+MetaCyc00137	KCl [potassium chloride;]	CL1K1	73.93256	NA	metacyc	NA	NA
+MJ000142	Sodium hypochlorite 	ClNaO	73.953537	NA	MeJP	NA	NA
+MJ000143	Calcium hydroxide 	CaH2O2	73.96807	NA	MeJP	NA	NA
+C12277	Calcium hydroxide	CaH2O2	73.9681	NA	KEGG	NA	NA
+HMDB00119	Glyoxylic acid	C2H2O3	74.00039	http://www.hmdb.ca/metabolites/HMDB00119	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00119	Glyoxylic acid	C2H2O3	74.00039	http://www.hmdb.ca/metabolites/HMDB00119	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00119	Glyoxylic acid	C2H2O3	74.00039	http://www.hmdb.ca/metabolites/HMDB00119	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00119	Glyoxylic acid	C2H2O3	74.00039	http://www.hmdb.ca/metabolites/HMDB00119	HMDB	NA	NA
+HMDB00119	Glyoxylic acid	C2H2O3	74.00039	HMDB00119	PFEM_hmdb_metabocards_official	NA	NA
+MJ000144	Glyoxylate 	C2H2O3	74.000393	NA	MeJP	NA	NA
+MJ000145	Glyoxylic acid 	C2H2O3	74.000393	NA	MeJP	NA	NA
+MetaCyc00138	glyoxylate [glyoxalate;glyox;glyoxylic acid;]	C2H2O3	74.000394	298-12-4	metacyc	NA	NA
+HMDB00119	Glyoxylic acid	C2H2O3	74.000397	NA	HMDB2010	NA	NA
+C00048	Glyoxylate	C2H2O3	74.0004	NA	KEGG	NA	NA
+C08463	Triacetylene	C6H2	74.0156	NA	KEGG	NA	NA
+MJ000146	1,3,5-Hexatriyne 	C6H2	74.01565	NA	MeJP	NA	NA
+MJ000147	Lithium carbonate 	CLi2O3	74.016751	NA	MeJP	NA	NA
+C07964	Lithium carbonate	CO3	74.0168	NA	KEGG	NA	NA
+C18091	Ethylnitronate	C2H4NO2	74.0242	NA	KEGG	NA	NA
+MJ000148	1-Hydroxy-2-propanone 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000149	Ethyl formate 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000150	Methyl acetate 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000151	Propanoic acid 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000152	(R)-Lactaldehyde 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000153	(S)-Lactaldehyde 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000154	3-Hydroxypropanal 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000155	Hydroxyacetone 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000156	Lactaldehyde 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MJ000157	Propanoate 	C3H6O2	74.036779	NA	MeJP	NA	NA
+MetaCyc00139	propionate [propionic acid;ethylformic acid;methylacetic acid;propanoate;]	C3H6O2	74.036779	79-09-4	metacyc	NA	NA
+MetaCyc00140	methylacetate []	C3H6O2	74.036779	79-20-9	metacyc	NA	NA
+MetaCyc00141	lactaldehyde [(S)-lactaldehyde;L-lactaldehyde;lactald;]	C3H6O2	74.036779	598-35-6	metacyc	NA	NA
+MetaCyc00142	3-hydroxypropionaldehyde [hydroxypropionaldehyde;3-hydroxypropanal;]	C3H6O2	74.036779	NA	metacyc	NA	NA
+MetaCyc00143	(R)-Lactaldehyde [D-Lactaldehyde;D-2-Hydroxy-propionaldehyde;]	C3H6O2	74.036779	NA	metacyc	NA	NA
+MetaCyc00144	acetol [hydroxyacetone;acetylmethanol;1-hydroxyacetone;]	C3H6O2	74.036779	NA	metacyc	NA	NA
+HMDB00237	Propionic acid	C3H6O2	74.03678	http://www.hmdb.ca/metabolites/HMDB00237	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00237	Propionic acid	C3H6O2	74.03678	http://www.hmdb.ca/metabolites/HMDB00237	HMDB	NA	NA
+HMDB03052	Lactaldehyde	C3H6O2	74.03678	http://www.hmdb.ca/metabolites/HMDB03052	HMDB	NA	NA
+HMDB03453	3-Hydroxypropanal	C3H6O2	74.03678	http://www.hmdb.ca/metabolites/HMDB03453	HMDB	NA	NA
+HMDB06458	D-Lactaldehyde	C3H6O2	74.03678	http://www.hmdb.ca/metabolites/HMDB06458	HMDB	NA	NA
+HMDB00237	Propionic acid	C3H6O2	74.03678	http://www.hmdb.ca/metabolites/HMDB00237	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00237	Propionic acid	C3H6O2	74.03678	HMDB00237	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03052	Lactaldehyde	C3H6O2	74.03678	HMDB03052	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03453	3-Hydroxypropanal	C3H6O2	74.03678	HMDB03453	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06458	D-Lactaldehyde	C3H6O2	74.03678	HMDB06458	PFEM_hmdb_metabocards_official	NA	NA
+LABER047	propionic	NA	74.036781	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER047	propionic	NA	74.036781	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER047	propionic	NA	74.036781	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER047	propionic	NA	74.036781	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER047	propionic	NA	74.036781	NA	HMDB	NA	NA
+HMDB00237	Propionic acid	C3H6O2	74.036781	NA	HMDB2010	NA	NA
+HMDB03052	Lactaldehyde	C3H6O2	74.036781	NA	HMDB2010	NA	NA
+HMDB03453	3-Hydroxypropanal	C3H6O2	74.036781	NA	HMDB2010	NA	NA
+HMDB06458	D-Lactaldehyde	C3H6O2	74.036781	NA	HMDB2010	NA	NA
+HMDB06961	Hydroxyacetone	C3H6O2	74.036781	NA	HMDB2010	NA	NA
+LABER047	propionic	NA	74.036781	NA	Inhouse_PFEM	NA	NA
+LABER047	propionic	NA	74.036781	NA	Inhousejuil11	NA	NA
+LABER047	propionic	NA	74.036781	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER047	propionic	NA	74.036781	NA	PFEM_hmdb_metabocards_official	NA	NA
+C00163	Propanoate	C3H6O2	74.0368	NA	KEGG	NA	NA
+C00424	(S)-Lactaldehyde	C3H6O2	74.0368	NA	KEGG	NA	NA
+C00426	Dermatan sulfate	C3H6O2	74.0368	NA	KEGG	NA	NA
+C00937	(R)-Lactaldehyde	C3H6O2	74.0368	NA	KEGG	NA	NA
+C00938	1,3-beta-D-Xylan	C3H6O2	74.0368	NA	KEGG	NA	NA
+C00969	3-Hydroxypropanal	C3H6O2	74.0368	NA	KEGG	NA	NA
+C05235	Hydroxyacetone	C3H6O2	74.0368	NA	KEGG	NA	NA
+C05236	5-Methyltetrahydropteroyl-L-glutamate	C3H6O2	74.0368	NA	KEGG	NA	NA
+C05237	Tetrahydropteroyl-L-glutamate	C3H6O2	74.0368	NA	KEGG	NA	NA
+C05999	Lactaldehyde	C3H6O2	74.0368	NA	KEGG	NA	NA
+C10920	Glycidol	C3H6O2	74.0368	NA	KEGG	NA	NA
+C17530	Methyl acetate	C3H6O2	74.0368	NA	KEGG	NA	NA
+C07447	Acetylhydrazine	C2H6N2O	74.048	NA	KEGG	NA	NA
+C14704	N-Nitrosodimethylamine	C2H6N2O	74.048	NA	KEGG	NA	NA
+C16363	N-Methylurea	C2H6N2O	74.048	NA	KEGG	NA	NA
+MetaCyc00145	glycinamide []	C2H6N2O1	74.048013	598-41-4	metacyc	NA	NA
+MetaCyc00146	glycinamide [glycine amide;2-aminoacetamide;]	C2H6N2O1	74.048013	NA	metacyc	NA	NA
+MJ000158	Hydrazinecarboximidamide 	CH6N4	74.059246	NA	MeJP	NA	NA
+HMDB04327	Butanol	C4H10O	74.07316	http://www.hmdb.ca/metabolites/HMDB04327	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04327	Butanol	C4H10O	74.07316	http://www.hmdb.ca/metabolites/HMDB04327	HMDB	NA	NA
+HMDB06006	Isobutanol	C4H10O	74.07316	http://www.hmdb.ca/metabolites/HMDB06006	HMDB	NA	NA
+HMDB04327	Butanol	C4H10O	74.07316	http://www.hmdb.ca/metabolites/HMDB04327	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04327	Butanol	C4H10O	74.07316	HMDB04327	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06006	Isobutanol	C4H10O	74.07316	HMDB06006	PFEM_hmdb_metabocards_official	NA	NA
+MJ000159	1-Butanol 	C4H10O	74.073164	NA	MeJP	NA	NA
+MJ000160	1-Methoxypropane 	C4H10O	74.073164	NA	MeJP	NA	NA
+MJ000161	2-Butanol 	C4H10O	74.073164	NA	MeJP	NA	NA
+MJ000162	2-Methyl-1-propanol 	C4H10O	74.073164	NA	MeJP	NA	NA
+MJ000163	Diethyl ether 	C4H10O	74.073164	NA	MeJP	NA	NA
+MetaCyc00147	isobutanol [butanol;]	C4H10O1	74.073165	NA	metacyc	NA	NA
+MetaCyc00148	diethylether [ether;]	C4H10O1	74.073165	NA	metacyc	NA	NA
+MetaCyc00149	2-butanol [sec-butyl alcohol;butylene hydrate;methyl ethyl carbinol;2-hydroxybutane;]	C4H10O1	74.073165	NA	metacyc	NA	NA
+MetaCyc00150	n-butanol [n-butyl alcohol;1-butanol;butanol;1-hydroxybutane;]	C4H10O1	74.073165	71-36-3	metacyc	NA	NA
+HMDB04327	1-Butanol	C4H10O	74.073166	NA	HMDB2010	NA	NA
+HMDB06006	Isobutanol	C4H10O	74.073166	NA	HMDB2010	NA	NA
+HMDB11469	2-Butanol	C4H10O	74.073166	NA	HMDB2010	NA	NA
+C06142	1-Butanol	C4H10O	74.0732	NA	KEGG	NA	NA
+C06143	Poly-beta-hydroxybutyrate	C4H10O	74.0732	NA	KEGG	NA	NA
+C13240	Ether	C4H10O	74.0732	NA	KEGG	NA	NA
+C13241	Transferred to D01773	C4H10O	74.0732	NA	KEGG	NA	NA
+C13242	Transferred to D01774	C4H10O	74.0732	NA	KEGG	NA	NA
+C13243	Transferred to D01775	C4H10O	74.0732	NA	KEGG	NA	NA
+C13244	Transferred to D01776	C4H10O	74.0732	NA	KEGG	NA	NA
+C13245	Transferred to D00161	C4H10O	74.0732	NA	KEGG	NA	NA
+C13246	Transferred to D01778	C4H10O	74.0732	NA	KEGG	NA	NA
+C13247	Transferred to D01779	C4H10O	74.0732	NA	KEGG	NA	NA
+C13248	Transferred to D01780	C4H10O	74.0732	NA	KEGG	NA	NA
+C13249	Transferred to D01781	C4H10O	74.0732	NA	KEGG	NA	NA
+C13250	Transferred to D01782	C4H10O	74.0732	NA	KEGG	NA	NA
+C13251	Transferred to D01783	C4H10O	74.0732	NA	KEGG	NA	NA
+C13252	Transferred to D01784	C4H10O	74.0732	NA	KEGG	NA	NA
+C13253	Transferred to D01785	C4H10O	74.0732	NA	KEGG	NA	NA
+C14710	Isobutyl alcohol	C4H10O	74.0732	NA	KEGG	NA	NA
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.084396	NA	HMDB2010	NA	NA
+HMDB13136	1,2 Diaminopropane	C3H10N2	74.084396	NA	HMDB2010	NA	NA
+MJ000164	1,3-Diaminopropane 	C3H10N2	74.084398	NA	MeJP	NA	NA
+MetaCyc00151	1,3-diaminopropane [Trimethylenediamine;1,3-Propanediamine;Propane-1,3-diamine;1,3-DAP;]	C3H10N2	74.084398	109-76-2	metacyc	NA	NA
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	http://www.hmdb.ca/metabolites/HMDB00002	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	http://www.hmdb.ca/metabolites/HMDB00002	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	http://www.hmdb.ca/metabolites/HMDB00002	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	http://www.hmdb.ca/metabolites/HMDB00002	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	http://www.hmdb.ca/metabolites/HMDB00002	HMDB	NA	NA
+C00986	1,3-Diaminopropane	C3H10N2	74.0844	NA	KEGG	NA	NA
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	http://www.hmdb.ca/metabolites/HMDB00002	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00002	1,3-Diaminopropane	C3H10N2	74.0844	HMDB00002	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00152	tetramethylammonium [tetramethylazanium;trimethylaminomethane;artilacer;yodurtan;banikol;]	C4H12N1	74.096974	NA	metacyc	NA	NA
+HMDB00696	L-Methionine	C5H11NO2S	74.525528	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00153	As+5 [arsenic ion;]	AS1	74.921596	NA	metacyc	NA	NA
+HMDB02290	Arsenic	As	74.9216	http://www.hmdb.ca/metabolites/HMDB02290	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02290	Arsenic	As	74.9216	http://www.hmdb.ca/metabolites/HMDB02290	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02290	Arsenic	As	74.9216	http://www.hmdb.ca/metabolites/HMDB02290	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02290	Arsenic	As	74.9216	http://www.hmdb.ca/metabolites/HMDB02290	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02290	Arsenic	As	74.9216	http://www.hmdb.ca/metabolites/HMDB02290	HMDB	NA	NA
+HMDB02290	Arsenic	As	74.9216	http://www.hmdb.ca/metabolites/HMDB02290	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02290	Arsenic	As	74.9216	HMDB02290	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02290	Arsenic	[As]3+	74.9216	NA	HMDB2010	NA	NA
+EUR024	Glycine	C2H5NO2	75.032	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR024	Glycine	C2H5NO2	75.032	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR024	Glycine	C2H5NO2	75.032	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR024	Glycine	C2H5NO2	75.032	Wishlist	Inhousejuil11	NA	NA
+C00037	Glycine	C2H5NO2	75.032	NA	KEGG	NA	NA
+C01837	Nitroethane	C2H5NO2	75.032	NA	KEGG	NA	NA
+C06808	Acetohydroxamic acid	C2H5NO2	75.032	NA	KEGG	NA	NA
+PJ000001	G 	C2H5NO2	75.032	NA	PeJP	NA	NA
+HMDB00123	Glycine	C2H5NO2	75.032028	NA	HMDB2010	NA	NA
+MJ000165	Glycine 	C2H5NO2	75.032028	NA	MeJP	NA	NA
+MJ000166	N-Hydroxyacetamide 	C2H5NO2	75.032028	NA	MeJP	NA	NA
+MJ000167	Glycine 	C2H5NO2	75.032028	NA	MeJP	NA	NA
+MetaCyc00154	nitroethane []	C2H5N1O2	75.032028	79-24-3	metacyc	NA	NA
+MetaCyc00155	glycine [G;aminoacetic acid;gly;]	C2H5N1O2	75.032028	56-40-6	metacyc	NA	NA
+HMDB00123	Glycine	C2H5NO2	75.03203	http://www.hmdb.ca/metabolites/HMDB00123	PFEM_hmdb_metabocards_urine	NA	urine
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	PFEM_hmdb_metabocards_urine	NA	urine
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00123	Glycine	C2H5NO2	75.03203	http://www.hmdb.ca/metabolites/HMDB00123	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00123	Glycine	C2H5NO2	75.03203	http://www.hmdb.ca/metabolites/HMDB00123	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00123	Glycine	C2H5NO2	75.03203	http://www.hmdb.ca/metabolites/HMDB00123	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00123	Glycine	C2H5NO2	75.03203	http://www.hmdb.ca/metabolites/HMDB00123	HMDB	NA	NA
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	HMDB	NA	NA
+HMDB00123	Glycine	C2H5NO2	75.03203	NA  ;SYN:(2S)-2-Amino-3-methylbutanoate; (2S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutanoate; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbutyric acid; (S)-2-amino-3-methyl-Butanoate; (S)-2-amino-3-methyl-Butanoic acid; (S)-Valine; (S)-a-Amino-b-methylbutyrate; (S)-a-Amino-b-methylbutyric acid; 2-Amino-3-methylbutanoate; 2-Amino-3-methylbutanoic acid; 2-Amino-3-methylbutyrate; 2-Amino-3-methylbutyric acid; L-(+)-a-Aminoisovalerate; L-(+)-a-Aminoisovaleric acid; L-a-Amino-b-methylbutyrate; L-a-Amino-b-methylbutyric acid; L-valine; valine; (S)-alpha-Amino-beta-methylbutyrate; (S)-alpha-Amino-beta-methylbutyric acid; L-(+)-alpha-Aminoisovalerate; L-(+)-alpha-Aminoisovaleric acid; L-alpha-Amino-beta-methylbutyrate; L-alpha-Amino-beta-methylbutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	Inhouse_PFEM	NA	NA
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	Inhousejuil11	NA	NA
+HMDB00123	Glycine	C2H5NO2	75.03203	http://www.hmdb.ca/metabolites/HMDB00123	PFEM_hmdb_metabocards_blood	NA	blood
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	PFEM_hmdb_metabocards_blood	NA	blood
+LABER007	Glycine	C2H5NO2	75.03203	RT 1.95 fragt 76, 30, 43, 44	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00123	Glycine	C2H5NO2	75.03203	HMDB00123	PFEM_hmdb_metabocards_official	NA	NA
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR431	glycine F1	NA	75.037975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR431	glycine F1	NA	75.037975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR431	glycine F1	NA	75.037975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR431	glycine F1	NA	75.037975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR431	glycine F1	C2H5NO2	75.037975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00156	semicarbazide [Carbamoylhydrazine;Aminourea;Hydrazinecarboxamide;]	C1H5N3O1	75.043262	NA	metacyc	NA	NA
+C02077	Semicarbazide	CH5N3O	75.0433	NA	KEGG	NA	NA
+C01104	Trimethylamine N-oxide	C3H9NO	75.0684	NA	KEGG	NA	NA
+C03194	(R)-1-Aminopropan-2-ol	C3H9NO	75.0684	NA	KEGG	NA	NA
+C05771	1-Aminopropan-2-ol	C3H9NO	75.0684	NA	KEGG	NA	NA
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	http://www.hmdb.ca/metabolites/HMDB00925	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	http://www.hmdb.ca/metabolites/HMDB00925	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	http://www.hmdb.ca/metabolites/HMDB00925	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	http://www.hmdb.ca/metabolites/HMDB00925	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	http://www.hmdb.ca/metabolites/HMDB00925	HMDB	NA	NA
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	http://www.hmdb.ca/metabolites/HMDB00925	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00925	Trimethylamine oxide	C3H9NO	75.06841	HMDB00925	PFEM_hmdb_metabocards_official	NA	NA
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	HMDB	NA	NA
+HMDB00925	Trimethylamine N-oxide	C3H9NO	75.068413	NA	HMDB2010	NA	NA
+HMDB12136	1-Amino-propan-2-ol	C3H9NO	75.068413	NA	HMDB2010	NA	NA
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	Inhouse_PFEM	NA	NA
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	Inhousejuil11	NA	NA
+MJ000168	2-Aminoethanol; N-Me 	C3H9NO	75.068413	NA	MeJP	NA	NA
+MJ000169	Trimethylamine oxide 	C3H9NO	75.068413	NA	MeJP	NA	NA
+MJ000170	(R)-1-Aminopropan-2-ol 	C3H9NO	75.068413	NA	MeJP	NA	NA
+MJ000171	1-Aminopropan-2-ol 	C3H9NO	75.068413	NA	MeJP	NA	NA
+MJ000172	Trimethylamine N-oxide 	C3H9NO	75.068413	NA	MeJP	NA	NA
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER024	Trimethylamine-N-oxide	NA	75.068413	RT 1.90; 2.45 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00157	trimethylamine-N-oxide []	C3H9N1O1	75.068414	1184-78-7	metacyc	NA	NA
+MetaCyc00158	N-monomethylethanolamine []	C3H9N1O1	75.068414	NA	metacyc	NA	NA
+MetaCyc00159	trimethylamine oxide [CH33NO;]	C3H9N1O1	75.068414	1184-78-7	metacyc	NA	NA
+MetaCyc00160	2-methoxyethylamine [2-methoxyethanamine;]	C3H9N1O1	75.068414	NA	metacyc	NA	NA
+MetaCyc00161	1-amino-propan-2-ol [(R)-1-aminopropan-2-ol;D-1-amino-2-propanol;D-1-aminopropan-2-ol;]	C3H9N1O1	75.068414	78-96-6	metacyc	NA	NA
+MJ000173	Carbon disulfide 	CS2	75.944141	NA	MeJP	NA	NA
+MetaCyc00162	carbon disulfide [CS2;]	C1S2	75.944141	NA	metacyc	NA	NA
+MetaCyc00163	thioacetate [Thioacetic acid;]	C2H4O1S1	75.998285	507-09-5	metacyc	NA	NA
+C01857	Thioacetate	C2H4OS	75.9983	NA	KEGG	NA	NA
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	76.0008775	MH2+	Inhouse_peptide	NA	peptide
+C14415	Thiourea	CH4N2S	76.0095	NA	KEGG	NA	NA
+MetaCyc00164	thiourea [2-thiopseudourea;2-thiourea;pseudothiourea;sulfourea;THU;thiocarbamide;thiocarbonic acid diamide;&beta;-thiopseudourea;]	C1H4N2S1	76.009519	NA	metacyc	NA	NA
+C00160	Glycolate	C2H4O3	76.016	NA	KEGG	NA	NA
+C00161	2-Oxo acid	C2HO3R	76.016	NA	KEGG	NA	NA
+C00162	Fatty acid	CHO2R	76.016	NA	KEGG	NA	NA
+HMDB00115	Glycolic acid	C2H4O3	76.01604	http://www.hmdb.ca/metabolites/HMDB00115	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00115	Glycolic acid	C2H4O3	76.01604	http://www.hmdb.ca/metabolites/HMDB00115	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00115	Glycolic acid	C2H4O3	76.01604	http://www.hmdb.ca/metabolites/HMDB00115	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00115	Glycolic acid	C2H4O3	76.01604	http://www.hmdb.ca/metabolites/HMDB00115	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00115	Glycolic acid	C2H4O3	76.01604	http://www.hmdb.ca/metabolites/HMDB00115	HMDB	NA	NA
+HMDB00115	Glycolic acid	C2H4O3	76.01604	http://www.hmdb.ca/metabolites/HMDB00115	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00115	Glycolic acid	C2H4O3	76.01604	HMDB00115	PFEM_hmdb_metabocards_official	NA	NA
+MJ000174	Glycolate 	C2H4O3	76.016043	NA	MeJP	NA	NA
+MJ000175	Hydroxyacetic acid 	C2H4O3	76.016043	NA	MeJP	NA	NA
+MetaCyc00165	glycolate [hydroxyacetic acid;glycolic acid;]	C2H4O3	76.016044	79-14-1	metacyc	NA	NA
+LABER036	Glycolic	NA	76.016045	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER036	Glycolic	NA	76.016045	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER036	Glycolic	NA	76.016045	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER036	Glycolic	NA	76.016045	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER036	Glycolic	NA	76.016045	NA	HMDB	NA	NA
+HMDB00115	Glycolic acid	C2H4O3	76.016045	NA	HMDB2010	NA	NA
+LABER036	Glycolic	NA	76.016045	NA	Inhouse_PFEM	NA	NA
+LABER036	Glycolic	NA	76.016045	NA	Inhousejuil11	NA	NA
+LABER036	Glycolic	NA	76.016045	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER036	Glycolic	NA	76.016045	NA	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0004	Threonic acid / Erythronic acid [(M-H)-(C2H4O2)]-	C2H3O3	76.016625	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0005	Glyceric acid [(M-H)-(CH2O)]-	C2H3O3	76.016625	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0004	Threonic acid / Erythronic acid [(M-H)-(C2H4O2)]-	C2H3O3	76.016625	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0005	Glyceric acid [(M-H)-(CH2O)]-	C2H3O3	76.016625	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000176	Hydroxyurea 	CH4N2O2	76.027277	NA	MeJP	NA	NA
+MetaCyc00166	hydroxy-urea [hydroxycarbamide;hydrea;oncocarbide;hydroxyurea;carbamide oxide;]	C1H4N2O2	76.027277	127-07-1	metacyc	NA	NA
+C07044	Hydroxyurea	CH4N2O2	76.0273	NA	KEGG	NA	NA
+MJ000177	1-Fluoro-2-propanone 	C3H5FO	76.032442	NA	MeJP	NA	NA
+C08390	Propane-1-thiol	C3H8S	76.0347	NA	KEGG	NA	NA
+C08391	Propane-2-thiol	C3H8S	76.0347	NA	KEGG	NA	NA
+C00583	Propane-1,2-diol	C3H8O2	76.0524	NA	KEGG	NA	NA
+C02457	Propane-1,3-diol	C3H8O2	76.0524	NA	KEGG	NA	NA
+C02461	Protein Cys-Cys	C7H11N3O3S2R2	76.0524	NA	KEGG	NA	NA
+C02912	(R)-Propane-1,2-diol	C3H8O2	76.0524	NA	KEGG	NA	NA
+C02917	(S)-Propane-1,2-diol	C3H8O2	76.0524	NA	KEGG	NA	NA
+HMDB01881	Propylene glycol	C3H8O2	76.052429	NA	HMDB2010	NA	NA
+HMDB06213	(S)-Propane-1,2-diol	C3H8O2	76.052429	NA	HMDB2010	NA	NA
+MJ000178	Propane-1,2-diol 	C3H8O2	76.052429	NA	MeJP	NA	NA
+MJ000179	Propane-1,3-diol 	C3H8O2	76.052429	NA	MeJP	NA	NA
+MJ000180	1,2-Propanediol 	C3H8O2	76.052429	NA	MeJP	NA	NA
+HMDB01881	Propylene glycol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB01881	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01881	Propylene glycol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB01881	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01881	Propylene glycol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB01881	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01881	Propylene glycol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB01881	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01881	Propylene glycol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB01881	HMDB	NA	NA
+HMDB06213	(S)-Propane-1,2-diol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB06213	HMDB	NA	NA
+MetaCyc00167	propane-1,2-diol [propanediol;1,2-propane-diol;L-1,2-propanediol;propylene glycol;1,2-propanediol;1,2-dihydroxypropane;]	C3H8O2	76.05243	57-55-6	metacyc	NA	NA
+MetaCyc00168	1,3-propanediol [propane-1,3-diol;Trimethylene glycol;PDO;TMG;]	C3H8O2	76.05243	504-63-2	metacyc	NA	NA
+MetaCyc00169	2-methoxyethanol [2-methoxyethanol;ethylene glycol monomethyl ether;methyl cellosolve;]	C3H8O2	76.05243	109-86-4	metacyc	NA	NA
+HMDB01881	Propylene glycol	C3H8O2	76.05243	http://www.hmdb.ca/metabolites/HMDB01881	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01881	Propylene glycol	C3H8O2	76.05243	HMDB01881	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06213	(S)-Propane-1,2-diol	C3H8O2	76.05243	HMDB06213	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	76.5212935	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00170	another strange group []	C1H4N1O1P1	77.00305	NA	metacyc	NA	NA
+C01678	Cysteamine	C2H7NS	77.0299	NA	KEGG	NA	NA
+C01679	Cytochrome	C2H7NS	77.0299	NA	KEGG	NA	NA
+MJ000181	2-Aminoethanethiol 	C2H7NS	77.029919	NA	MeJP	NA	NA
+MJ000182	Cysteamine 	C2H7NS	77.029919	NA	MeJP	NA	NA
+HMDB02991	Cysteamine	C2H7NS	77.02992	http://www.hmdb.ca/metabolites/HMDB02991	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02991	Cysteamine	C2H7NS	77.02992	http://www.hmdb.ca/metabolites/HMDB02991	HMDB	NA	NA
+MetaCyc00171	cysteamine [2-aminoethanethiol;&beta;-aminoethanethiol;&beta;-mercaptoethylamine;mercaptamine;thioethanolamine;]	C2H7N1S1	77.02992	60-23-1	metacyc	NA	NA
+HMDB02991	Cysteamine	C2H7NS	77.02992	http://www.hmdb.ca/metabolites/HMDB02991	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02991	Cysteamine	C2H7NS	77.02992	HMDB02991	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02991	Cysteamine	C2H7NS	77.029922	NA	HMDB2010	NA	NA
+C03122	Haloaromatic compound	C6H5X	77.0391	NA	KEGG	NA	NA
+HMDB12295	Trimethyl sulfonium	C3H9S	77.042496	NA	HMDB2010	NA	NA
+MetaCyc00172	trimethyl sulfonium []	C3H9S1	77.042496	2181-42-2	metacyc	NA	NA
+C01008	Trimethylsulfonium	C3H9S	77.0425	NA	KEGG	NA	NA
+MJ000183	Ammonium acetate 	C2H7NO2	77.047678	NA	MeJP	NA	NA
+HMDB00177	L-Histidine	C6H9N3O2	77.5347365	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00173	sodium sulfide [Na2S;]	NA2S1	77.95161	1313-82-2	metacyc	NA	NA
+C06754	Chloroacetaldehyde	C2H3ClO	77.9872	NA	KEGG	NA	NA
+MJ000184	Chloroacetaldehyde 	C2H3ClO	77.987242	NA	MeJP	NA	NA
+MetaCyc00174	2-chloroacetaldehyde []	C2H3O1CL1	77.987242	NA	metacyc	NA	NA
+MJ000185	Aluminium hydroxide 	AlH3O3	77.989757	NA	MeJP	NA	NA
+C13391	Aluminum hydroxide	AlH3O3	77.9898	NA	KEGG	NA	NA
+C06108	Fluoroacetate	C2H3FO2	78.0117	NA	KEGG	NA	NA
+C06109	Cytochrome P-450 oxidized form	C2H3FO2	78.0117	NA	KEGG	NA	NA
+C06110	Cytochrome P-450 reduced form	C2H3FO2	78.0117	NA	KEGG	NA	NA
+MJ000186	Fluoroacetic acid 	C2H3FO2	78.011707	NA	MeJP	NA	NA
+C00928	Mercaptoethanol	C2H6OS	78.0139	NA	KEGG	NA	NA
+C00929	Oligonucleotide	C10H17O8PR2	78.0139	NA	KEGG	NA	NA
+C00930	Oligosaccharide	C10H17O8PR2	78.0139	NA	KEGG	NA	NA
+C11143	Dimethyl sulfoxide	C2H6OS	78.0139	NA	KEGG	NA	NA
+MJ000187	Dimethyl sulfoxide 	C2H6OS	78.013935	NA	MeJP	NA	NA
+MetaCyc00175	dimethyl sulfoxide [DMSO;sulfinylbismethane;]	C2H6O1S1	78.013936	NA	metacyc	NA	NA
+MetaCyc00176	2-mercaptoethanol [&beta;-mercaptoethanol;]	C2H6O1S1	78.013936	NA	metacyc	NA	NA
+HMDB02151	Dimethyl sulfoxide	C2H6OS	78.013939	NA	HMDB2010	NA	NA
+HMDB02151	Dimethyl sulfoxide	C2H6OS	78.01394	http://www.hmdb.ca/metabolites/HMDB02151	HMDB	NA	NA
+HMDB02151	Dimethyl sulfoxide	C2H6OS	78.01394	HMDB02151	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01505	benzene	C6H6	78.04695	http://www.hmdb.ca/metabolites/HMDB01505	HMDB	NA	NA
+MJ000188	Benzene 	C6H6	78.04695	NA	MeJP	NA	NA
+MetaCyc00177	benzene [benzol;benzole;]	C6H6	78.04695	71-43-2	metacyc	NA	NA
+HMDB01505	benzene	C6H6	78.04695	HMDB01505	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01505	Benzene	C6H6	78.046951	NA	HMDB2010	NA	NA
+C01407	Benzene	C6H6	78.047	NA	KEGG	NA	NA
+C01324	Bromide	Br	78.9183	NA	KEGG	NA	NA
+MetaCyc00178	Br- [bromide;bromide ion;]	BR1	78.918338	NA	metacyc	NA	NA
+HMDB02500	Bromine	Br	78.91834	http://www.hmdb.ca/metabolites/HMDB02500	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02500	Bromine	Br	78.91834	http://www.hmdb.ca/metabolites/HMDB02500	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02500	Bromine	Br	78.91834	http://www.hmdb.ca/metabolites/HMDB02500	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02500	Bromine	Br	78.91834	http://www.hmdb.ca/metabolites/HMDB02500	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02500	Bromine	Br	78.91834	http://www.hmdb.ca/metabolites/HMDB02500	HMDB	NA	NA
+HMDB02500	Bromine	Br	78.91834	http://www.hmdb.ca/metabolites/HMDB02500	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02500	Bromine	Br	78.91834	HMDB02500	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02500	Bromide	[Br]-	78.918343	NA	HMDB2010	NA	NA
+HMDB01443	Phosphite	[PO3]3-	78.958504	NA	HMDB2010	NA	NA
+HMDB01443	Phosphite	O3P	78.95851	http://www.hmdb.ca/metabolites/HMDB01443	HMDB	NA	NA
+HMDB01443	Phosphite	O3P	78.95851	HMDB01443	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00179	2-chloroethylamine [ethanamine, 2-chloro-;2-chloroethanamine;]	C2H6N1CL1	79.018877	NA	metacyc	NA	NA
+HMDB00926	Pyridine	C5H5N	79.042198	NA	HMDB2010	NA	NA
+MJ000189	Pyridine 	C5H5N	79.042199	NA	MeJP	NA	NA
+MetaCyc00180	pyridine []	C5H5N1	79.042199	110-86-1	metacyc	NA	NA
+MetaCyc00181	pyridine-ring []	C5H5N1	79.042199	NA	metacyc	NA	NA
+HMDB00926	Pyridine	C5H5N	79.0422	http://www.hmdb.ca/metabolites/HMDB00926	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00926	Pyridine	C5H5N	79.0422	http://www.hmdb.ca/metabolites/HMDB00926	HMDB	NA	NA
+C00747	Pyridine	C5H5N	79.0422	NA	KEGG	NA	NA
+HMDB00926	Pyridine	C5H5N	79.0422	http://www.hmdb.ca/metabolites/HMDB00926	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00926	Pyridine	C5H5N	79.0422	HMDB00926	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00678	Isovalerylglycine	C7H13NO3	79.5447695	MH2+	Inhouse_peptide	NA	peptide
+C01529	Selenium	Se	79.9165	NA	KEGG	NA	NA
+HMDB01349	Selenium	[Se]2-	79.916519	NA	HMDB2010	NA	NA
+HMDB01349	Selenium	Se	79.91652	http://www.hmdb.ca/metabolites/HMDB01349	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01349	Selenium	Se	79.91652	http://www.hmdb.ca/metabolites/HMDB01349	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01349	Selenium	Se	79.91652	http://www.hmdb.ca/metabolites/HMDB01349	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01349	Selenium	Se	79.91652	http://www.hmdb.ca/metabolites/HMDB01349	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01349	Selenium	Se	79.91652	http://www.hmdb.ca/metabolites/HMDB01349	HMDB	NA	NA
+HMDB01349	Selenium	Se	79.91652	http://www.hmdb.ca/metabolites/HMDB01349	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01349	Selenium	Se	79.91652	HMDB01349	PFEM_hmdb_metabocards_official	NA	NA
+MJ000190	Selenium 	Se	79.916521	NA	MeJP	NA	NA
+MetaCyc00182	Se-2 [selenide ion;]	SE1	79.916522	NA	metacyc	NA	NA
+MJ000191	Zinc oxide 	OZn	79.924061	NA	MeJP	NA	NA
+C13645	Hydrobromic acid	HBr	79.9262	NA	KEGG	NA	NA
+MJ000192	Titanium(IV) oxide (TiO2) 	O2Ti	79.937776	NA	MeJP	NA	NA
+HMDB00240	Sulfite	O3S	79.95681	http://www.hmdb.ca/metabolites/HMDB00240	HMDB	NA	NA
+HMDB00240	Sulfite	O3S	79.95681	HMDB00240	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00183	sulfite [SO3;SO3-2;]	O3S1	79.956815	7782-99-2	metacyc	NA	NA
+HMDB00240	Sulfite	[SO3]2-	79.956818	NA	HMDB2010	NA	NA
+MetaCyc00184	phosphite []	H1O3P1	79.96633	NA	metacyc	NA	NA
+MetaCyc00185	x-phosphate-group []	H1O3P1	79.96633	NA	metacyc	NA	NA
+MJ000193	Calcium cyanamide 	CCaN2	79.968739	NA	MeJP	NA	NA
+MJ000194	2-Chloroethanol 	C2H5ClO	80.002892	NA	MeJP	NA	NA
+MetaCyc00186	2-chloroethanol []	C2H5O1CL1	80.002892	107-07-3	metacyc	NA	NA
+C06753	2-Chloroethanol	C2H5ClO	80.0029	NA	KEGG	NA	NA
+7590	ACE inhibitor	AA	80.037	MH2+	Inhouse_peptide	NA	peptide
+C00396	Pyrimidine	C4H4N2	80.0374	NA	KEGG	NA	NA
+HMDB03361	Pyrimidine	C4H4N2	80.037445	NA	HMDB2010	NA	NA
+MetaCyc00187	pyrimidine [pyrimidine-ring;]	C4H4N2	80.037448	NA	metacyc	NA	NA
+HMDB03361	Pyrimidine	C4H4N2	80.03745	http://www.hmdb.ca/metabolites/HMDB03361	HMDB	NA	NA
+HMDB03361	Pyrimidine	C4H4N2	80.03745	HMDB03361	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	80.0605925	MH2+	Inhouse_peptide	NA	peptide
+HMDB00510	Aminoadipic acid	C6H11NO4	80.534401	MH2+	Inhouse_peptide	NA	peptide
+HMDB00062	L-Carnitine	C7H15NO3	80.552597	MH2+	Inhouse_peptide	NA	peptide
+C11481	HSO3-	HSO3	80.9646	NA	KEGG	NA	NA
+C11482	Holo-Lys2	HSR	80.9646	NA	KEGG	NA	NA
+HMDB01033	Hydrogen sulfite	[HSO3]-	80.964638	NA	HMDB2010	NA	NA
+HMDB01033	Hydrogen Sulfite	HO3S	80.96464	http://www.hmdb.ca/metabolites/HMDB01033	HMDB	NA	NA
+MetaCyc00188	HSO3- [HSO3;bisulfite;]	H1O3S1	80.96464	NA	metacyc	NA	NA
+HMDB01033	Hydrogen Sulfite	HO3S	80.96464	HMDB01033	PFEM_hmdb_metabocards_official	NA	NA
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR271	5hydroxymethyluracil F4	NA	81.026375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR271	5hydroxymethyluracil F4	NA	81.026375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR271	5hydroxymethyluracil F4	NA	81.026375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR271	5hydroxyméthyluracil F4	F4	81.026375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR271	5hydroxymethyluracil F4	NA	81.026375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR271	5hydroxymethyluracil F4	F4	81.026375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7607	ACE inhibitor	GS	81.0265	MH2+	Inhouse_peptide	NA	peptide
+7618	ACE inhibitor	SG	81.0265	MH2+	Inhouse_peptide	NA	peptide
+HMDB00450	5-Hydroxylysine	C6H14N2O3	81.0502245	MH2+	Inhouse_peptide	NA	peptide
+C16933	3,6-Dihydropyridine	C5H7N	81.0578	NA	KEGG	NA	NA
+MJ000195	Dimethylaminotrihydroborate(1-); Na salt 	C2H9BNNa	81.072574	NA	MeJP	NA	NA
+HMDB01890	Acetylcysteine	C5H9NO3S	81.5151595	MH2+	Inhouse_peptide	NA	peptide
+MJ000196	Selenide 	H2Se	81.932171	NA	MeJP	NA	NA
+MetaCyc00189	selenide [Hydrogen selenide;]	H2SE1	81.932172	531-44-2	metacyc	NA	NA
+HMDB11110	Hydrogen selenide	H2Se	81.932175	NA	HMDB2010	NA	NA
+C01528	Selenide	H2Se	81.9322	NA	KEGG	NA	NA
+HMDB03008	Bisulfite	H2O3S	81.97246	http://www.hmdb.ca/metabolites/HMDB03008	HMDB	NA	NA
+HMDB03008	Bisulfite	H2O3S	81.97246	HMDB03008	PFEM_hmdb_metabocards_official	NA	NA
+MJ000197	Sulfite 	H2O3S	81.972464	NA	MeJP	NA	NA
+MJ000198	Sulfurous acid 	H2O3S	81.972464	NA	MeJP	NA	NA
+MetaCyc00190	H2SO3 [sulfurous acid;]	H2O3S1	81.972465	7782-99-2	metacyc	NA	NA
+C00094	Sulfite	H2SO3	81.9725	NA	KEGG	NA	NA
+MetaCyc00191	phosphonate [phosphorous acid;]	H3O3P1	81.98198	13598-36-2	metacyc	NA	NA
+C06701	Phosphonate	PH3O3	81.982	NA	KEGG	NA	NA
+C06702	Polyamine	PH3O3	81.982	NA	KEGG	NA	NA
+C06703	Quaternary amine	PH3O3	81.982	NA	KEGG	NA	NA
+C06704	Iron chelate	PH3O3	81.982	NA	KEGG	NA	NA
+C06705	Capsular polysaccharide	PH3O3	81.982	NA	KEGG	NA	NA
+C06706	Lipo-oligosaccharide	PH3O3	81.982	NA	KEGG	NA	NA
+C06707	Teichoic acid	PH3O3	81.982	NA	KEGG	NA	NA
+C06708	Xenobiotic	PH3O3	81.982	NA	KEGG	NA	NA
+CJneg0006	Glycerol Phosphate [(M-H)-(C3H6O3)]-	H2O3P	81.982525	C18rt(min)=0.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0006	Glycerol Phosphate [(M-H)-(C3H6O3)]-	H2O3P	81.982525	C18rt(min)=0.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc00192	4-imidazolone []	C3H2N2O1	82.016713	NA	metacyc	NA	NA
+MJ000199	2-Methylfuran 	C5H6O	82.041864	NA	MeJP	NA	NA
+MJ000200	4(5)-Methylimidazole 	C4H6N2	82.053098	NA	MeJP	NA	NA
+C07837	Fomepizole	C4H6N2	82.0531	NA	KEGG	NA	NA
+MJ000201	1,5-Hexadiene 	C6H10	82.07825	NA	MeJP	NA	NA
+MJ000202	1-Methylcyclopentene 	C6H10	82.07825	NA	MeJP	NA	NA
+MJ000203	3-Methylcyclopentene 	C6H10	82.07825	NA	MeJP	NA	NA
+HMDB02005	Methionine sulfoxide	C5H11NO3S	82.5229795	MH2+	Inhouse_peptide	NA	peptide
+HMDB00159	L-Phenylalanine	C9H11NO2	82.5394895	MH2+	Inhouse_peptide	NA	peptide
+HMDB02036	Chlorate	[ClO3]-	82.953598	NA	HMDB2010	NA	NA
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR222	Acide Glutamique F4	NA	83.037475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR222	Acide Glutamique F4	NA	83.037475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR222	Acide Glutamique F4	NA	83.037475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR222	Acide Glutamique F4	NA	83.037475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR222	Glutamic acid F4	F4	83.037475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR225	Threonine F3	NA	83.038175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR225	Threonine F3	NA	83.038175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR225	Threonine F3	NA	83.038175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR225	Threonin F3	F3	83.038175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR225	Threonine F3	NA	83.038175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR225	Threonin F3	F3	83.038175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C05239	5-Aminoimidazole	C3H5N3	83.0483	NA	KEGG	NA	NA
+C05241	Ureidoglycolate	C3H5N3	83.0483	NA	KEGG	NA	NA
+C05242	6-Hydroxy-2-oxohexanoate	C3H5N3	83.0483	NA	KEGG	NA	NA
+HMDB03929	5-Aminoimidazole	C3H5N3	83.048347	NA	HMDB2010	NA	NA
+MJ000204	2-Aminoimidazole 	C3H5N3	83.048347	NA	MeJP	NA	NA
+MJ000205	4(5)-Aminoimidazole 	C3H5N3	83.048347	NA	MeJP	NA	NA
+MJ000206	5-Aminoimidazole 	C3H5N3	83.048347	NA	MeJP	NA	NA
+MetaCyc00193	4-aminoimidazole []	C3H5N3	83.048347	NA	metacyc	NA	NA
+MetaCyc00194	amino-imidazole []	C3H5N3	83.048347	NA	metacyc	NA	NA
+HMDB03929	5-Aminoimidazole	C3H5N3	83.04835	http://www.hmdb.ca/metabolites/HMDB03929	HMDB	NA	NA
+HMDB03929	5-Aminoimidazole	C3H5N3	83.04835	HMDB03929	PFEM_hmdb_metabocards_official	NA	NA
+MJ000207	Piperideine 	C5H9N	83.073499	NA	MeJP	NA	NA
+MJ000208	2,3-Dihydro-3-methyl-1H-pyrrole 	C5H9N	83.073499	NA	MeJP	NA	NA
+MJ000209	2,3-Dihydro-3-methylpyrrole 	C5H9N	83.073499	NA	MeJP	NA	NA
+MJ000210	Pentanoic acid; Nitrile 	C5H9N	83.073499	NA	MeJP	NA	NA
+C06181	Piperideine	C5H9N	83.0735	NA	KEGG	NA	NA
+MJ000211	Dichloromethane 	CH2Cl2	83.953355	NA	MeJP	NA	NA
+MetaCyc00195	dichloromethane [Methylene chloride;Methylene dichloride;CH2Cl2;]	C1H2CL2	83.953355	75-09-2	metacyc	NA	NA
+C02271	Dichloromethane	CH2Cl2	83.9534	NA	KEGG	NA	NA
+C01485	Chlorate	HO3Cl	83.9614	NA	KEGG	NA	NA
+HMDB02036	Chloric acid	ClHO3	83.96142	http://www.hmdb.ca/metabolites/HMDB02036	HMDB	NA	NA
+HMDB02036	Chloric acid	ClHO3	83.96142	HMDB02036	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00196	chlorate [chloric acid;]	H1O3CL1	83.961422	7790-93-4	metacyc	NA	NA
+MJ000212	Magnesium carbonate 	CMgO3	83.969785	NA	MeJP	NA	NA
+C12893	Magnesium carbonate	CO3	83.9698	NA	KEGG	NA	NA
+C12894	Transferred to D01447	CO3	83.9698	NA	KEGG	NA	NA
+C12895	Transferred to D01448	CO3	83.9698	NA	KEGG	NA	NA
+C12603	Sodium bicarbonate	HCO3	83.9823	NA	KEGG	NA	NA
+C12604	Transferred to D01204	HCO3	83.9823	NA	KEGG	NA	NA
+C12605	Transferred to D01205	HCO3	83.9823	NA	KEGG	NA	NA
+C12606	Transferred to D01206	HCO3	83.9823	NA	KEGG	NA	NA
+C12607	Transferred to D01207	HCO3	83.9823	NA	KEGG	NA	NA
+C12608	Transferred to D01208	HCO3	83.9823	NA	KEGG	NA	NA
+MJ000213	Sodium hydrogen carbonate 	CHNaO3	83.982338	NA	MeJP	NA	NA
+C02648	4-Hydroxy-2-butynal	C4H4O2	84.0211	NA	KEGG	NA	NA
+C06144	3-Butynoate	C4H4O2	84.0211	NA	KEGG	NA	NA
+C17601	2(5H)-Furanone	C4H4O2	84.0211	NA	KEGG	NA	NA
+C17602	2(3H)-Furanone	C4H4O2	84.0211	NA	KEGG	NA	NA
+MJ000214	2-(Hydroxymethyl)-2-cyclopropen-1-one 	C4H4O2	84.021129	NA	MeJP	NA	NA
+MJ000215	2-Hydroxy-3-methylenecyclopropanone 	C4H4O2	84.021129	NA	MeJP	NA	NA
+MetaCyc00197	4-hydroxy-2-butynal [4-hydroxybut-2-ynal;]	C4H4O2	84.021129	NA	metacyc	NA	NA
+HMDB04363	Imidazolone	C3H4N2O	84.03236	http://www.hmdb.ca/metabolites/HMDB04363	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04363	Imidazolone	C3H4N2O	84.03236	http://www.hmdb.ca/metabolites/HMDB04363	HMDB	NA	NA
+HMDB04363	Imidazolone	C3H4N2O	84.03236	http://www.hmdb.ca/metabolites/HMDB04363	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04363	Imidazolone	C3H4N2O	84.03236	HMDB04363	PFEM_hmdb_metabocards_official	NA	NA
+MJ000216	5-Imidazolone 	C3H4N2O	84.032362	NA	MeJP	NA	NA
+HMDB04363	Imidazolone	C3H4N2O	84.032364	NA	HMDB2010	NA	NA
+C06195	Imidazolone	C3H4N2O	84.0324	NA	KEGG	NA	NA
+C11261	3-Amino-1,2,4-triazole	C2H4N4	84.0436	NA	KEGG	NA	NA
+C00557	Cyclopentanone	C5H8O	84.0575	NA	KEGG	NA	NA
+C07330	3-Methylbut-2-enal	C5H8O	84.0575	NA	KEGG	NA	NA
+C15604	Prenal	C5H8O	84.0575	NA	KEGG	NA	NA
+HMDB01184	Methyl propenyl ketone	C5H8O	84.05751	http://www.hmdb.ca/metabolites/HMDB01184	HMDB	NA	NA
+HMDB01184	Methyl propenyl ketone	C5H8O	84.05751	HMDB01184	PFEM_hmdb_metabocards_official	NA	NA
+MJ000217	2-Methyl-2-butenal 	C5H8O	84.057514	NA	MeJP	NA	NA
+MJ000218	2-Methylcyclobutanone 	C5H8O	84.057514	NA	MeJP	NA	NA
+MJ000219	2-Pentenal 	C5H8O	84.057514	NA	MeJP	NA	NA
+MJ000220	3-Methyl-2-butenal 	C5H8O	84.057514	NA	MeJP	NA	NA
+MJ000221	4-Penten-2-one 	C5H8O	84.057514	NA	MeJP	NA	NA
+MetaCyc00198	3-methyl-2-butenal [3-methylbut-2-enal;3,3-dimethyl-acrylaldehyde;prenal;]	C5H8O1	84.057515	NA	metacyc	NA	NA
+MetaCyc00199	cyclopentanone []	C5H8O1	84.057515	120-92-3	metacyc	NA	NA
+HMDB01184	Methyl propenyl ketone	C5H8O	84.057518	NA	HMDB2010	NA	NA
+HMDB12157	3-Methyl-2-butenal	C5H8O	84.057518	NA	HMDB2010	NA	NA
+CJneg0007	Adipic acid [(M-H)-(H2O)-(CO2)]-	C5H7O	84.058025	C18rt(min)=5.1 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0007	Adipic acid [(M-H)-(H2O)-(CO2)]-	C5H7O	84.058025	C18rt(min)=5.1 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C06178	1-Methylpyrrolinium	C5H10N	84.0813	NA	KEGG	NA	NA
+MJ000222	1-Methylpyrrolinium 	C5H10N	84.081324	NA	MeJP	NA	NA
+C11249	Cyclohexane	C6H12	84.0939	NA	KEGG	NA	NA
+MJ000223	2,3-Dimethyl-2-butene 	C6H12	84.0939	NA	MeJP	NA	NA
+MJ000224	Methylcyclopentane 	C6H12	84.0939	NA	MeJP	NA	NA
+HMDB00001	1-Methylhistidine	C7H11N3O2	84.5425645	MH2+	Inhouse_peptide	NA	peptide
+HMDB00479	3-Methylhistidine	C7H11N3O2	84.5425645	MH2+	Inhouse_peptide	NA	peptide
+HMDB01327	Rubidium	[Rb]+	84.911789	NA	HMDB2010	NA	NA
+HMDB01327	Rubidium	Rb	84.91179	http://www.hmdb.ca/metabolites/HMDB01327	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01327	Rubidium	Rb	84.91179	http://www.hmdb.ca/metabolites/HMDB01327	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01327	Rubidium	Rb	84.91179	http://www.hmdb.ca/metabolites/HMDB01327	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01327	Rubidium	Rb	84.91179	http://www.hmdb.ca/metabolites/HMDB01327	HMDB	NA	NA
+HMDB01327	Rubidium	Rb	84.91179	HMDB01327	PFEM_hmdb_metabocards_official	NA	NA
+C17061	Rubidium	Rb	84.9118	NA	KEGG	NA	NA
+MJ000225	Potassium nitrite (KNO2) 	KNO2	84.95661	NA	MeJP	NA	NA
+MJ000226	4-Isoxazolol 	C3H3NO2	85.016378	NA	MeJP	NA	NA
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR218	Hydroxyproline F3	NA	85.051875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR218	Hydroxyproline F3	NA	85.051875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR218	Hydroxyproline F3	NA	85.051875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR218	Hydroxyproline F3	NA	85.051875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR218	Hydroxyproline F3	F3	85.051875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02039	2-Pyrrolidinone	C4H7NO	85.05276	http://www.hmdb.ca/metabolites/HMDB02039	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02039	2-Pyrrolidinone	C4H7NO	85.05276	http://www.hmdb.ca/metabolites/HMDB02039	HMDB	NA	NA
+HMDB02039	2-Pyrrolidinone	C4H7NO	85.05276	http://www.hmdb.ca/metabolites/HMDB02039	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02039	2-Pyrrolidinone	C4H7NO	85.05276	HMDB02039	PFEM_hmdb_metabocards_official	NA	NA
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	HMDB	NA	NA
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc00200	acetone cyanohydrin [2-hydroxy-2-methylpropanenitrile;2-hydroxyisobutyronitrile;]	C4H7N1O1	85.052764	75-86-5	metacyc	NA	NA
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR046	2-pyrrolidone	C4H7NO	85.052764	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02039	2-Pyrrolidinone	C4H7NO	85.052765	NA	HMDB2010	NA	NA
+EUR046	2-pyrrolidone	C4H7NO	85.0528	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR046	2-pyrrolidone	C4H7NO	85.0528	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR046	2-pyrrolidone	C4H7NO	85.0528	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR046	2-pyrrolidone	C4H7NO	85.0528	Wishlist	Inhousejuil11	NA	NA
+C02659	Acetone cyanohydrin	C4H7NO	85.0528	NA	KEGG	NA	NA
+EUR326	2-Pyrrolidone F1	NA	85.056175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR326	2-Pyrrolidone F1	NA	85.056175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR326	2-Pyrrolidone F1	NA	85.056175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR326	2-Pyrrolidone F1	NA	85.056175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR323	Isoleucine F2	NA	85.086075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR323	Isoleucine F2	NA	85.086075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR323	Isoleucine F2	NA	85.086075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR323	Isoleucine F2	NA	85.086075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR323	Isoleucine F2	F2	85.086075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR325	Leucine F2	NA	85.087575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR325	Leucine F2	NA	85.087575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR325	Leucine F2	NA	85.087575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR325	Leucine F2	F2	85.087575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR325	Leucine F2	NA	85.087575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR325	Leucine F2	F2	85.087575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C01746	Piperidine	C5H11N	85.0891	NA	KEGG	NA	NA
+MJ000227	1-Methylpyrrolidine 	C5H11N	85.089149	NA	MeJP	NA	NA
+MJ000228	Piperidine 	C5H11N	85.089149	NA	MeJP	NA	NA
+MJ000229	Trimethylvinylammonium(1+) 	C5H12N(+)	85.089149	NA	MeJP	NA	NA
+MetaCyc00201	piperidine [hexahydro-pyridine;]	C5H11N1	85.089149	110-89-4	metacyc	NA	NA
+MJ000230	Chlorodifluoromethane 	CHClF2	85.973484	NA	MeJP	NA	NA
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR294	Methionine F5	NA	86.021675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR294	Methionine F5	NA	86.021675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR294	Methionine F5	NA	86.021675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR294	Methionine F5	F5	86.021675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR294	Methionine F5	NA	86.021675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR294	Methionine F5	F5	86.021675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+2753	peptide regulating the stomach mucosal membrane activity	GP	86.0365	MH2+	Inhouse_peptide	NA	peptide
+2754	peptide regulating the stomach mucosal membrane activity	PG	86.0365	MH2+	Inhouse_peptide	NA	peptide
+3169	dipeptidyl peptidase IV inhibitor	GP	86.0365	MH2+	Inhouse_peptide	NA	peptide
+3283	NA	GP	86.0365	MH2+	Inhouse_peptide	NA	peptide
+3285	NA	PG	86.0365	MH2+	Inhouse_peptide	NA	peptide
+3460	Prolyl endopeptidase inhibitor	PG	86.0365	MH2+	Inhouse_peptide	NA	peptide
+3461	Prolyl endopeptidase inhibitor	GP	86.0365	MH2+	Inhouse_peptide	NA	peptide
+7512	ACE inhibitor from Alaskan pollack skin	GP	86.0365	MH2+	Inhouse_peptide	NA	peptide
+7625	ACE inhibitor	PG	86.0365	MH2+	Inhouse_peptide	NA	peptide
+MJ000231	2,3-Butanedione 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MJ000232	2-Butenoic acid 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MJ000233	2-Methyl-2-propenoic acid 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MJ000234	3-Butenoic acid 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MJ000235	4-Hydroxy-2-butenal 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MJ000236	3-Butynoate 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MJ000237	Diacetyl 	C4H6O2	86.036779	NA	MeJP	NA	NA
+MetaCyc00202	vinyl acetate []	C4H6O2	86.036779	NA	metacyc	NA	NA
+MetaCyc00203	diacetyl [2,3-butanedione;biacetyl;dimethylglyoxal;2,3-diketobutane;2,3-dioxobutane;butadione;dimethyl diketone;butanedione;]	C4H6O2	86.036779	431-03-8	metacyc	NA	NA
+MetaCyc00204	crotonate [2-Butenoate;b-methylacrylic acid;trans-2-butenoic acid;2-Butenoic acid;Crotonic acid;&beta;-methylacrylic acid;]	C4H6O2	86.036779	3724-65-0	metacyc	NA	NA
+MetaCyc00205	2-butyne-1,4-diol []	C4H6O2	86.036779	110-65-6	metacyc	NA	NA
+HMDB00549	gamma-Butyrolactone	C4H6O2	86.03678	http://www.hmdb.ca/metabolites/HMDB00549	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00549	gamma-Butyrolactone	C4H6O2	86.03678	http://www.hmdb.ca/metabolites/HMDB00549	HMDB	NA	NA
+HMDB02523	Oxolan-3-one	C4H6O2	86.03678	http://www.hmdb.ca/metabolites/HMDB02523	HMDB	NA	NA
+HMDB03407	Diacetyl	C4H6O2	86.03678	http://www.hmdb.ca/metabolites/HMDB03407	HMDB	NA	NA
+HMDB00549	gamma-Butyrolactone	C4H6O2	86.03678	http://www.hmdb.ca/metabolites/HMDB00549	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00549	gamma-Butyrolactone	C4H6O2	86.03678	HMDB00549	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02523	Oxolan-3-one	C4H6O2	86.03678	HMDB02523	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03407	Diacetyl	C4H6O2	86.03678	HMDB03407	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00549	Gamma-Butyrolactone	C4H6O2	86.036781	NA	HMDB2010	NA	NA
+HMDB02523	Oxolan-3-one	C4H6O2	86.036781	NA	HMDB2010	NA	NA
+HMDB03407	Diacetyl	C4H6O2	86.036781	NA	HMDB2010	NA	NA
+HMDB10720	But-2-enoic acid	C4H6O2	86.036781	NA	HMDB2010	NA	NA
+C00741	Diacetyl	C4H6O2	86.0368	NA	KEGG	NA	NA
+C01770	1,4-Lactone	C4H6O2	86.0368	NA	KEGG	NA	NA
+C01771	2-Butenoate	C4H6O2	86.0368	NA	KEGG	NA	NA
+C02497	2-Butyne-1,4-diol	C4H6O2	86.0368	NA	KEGG	NA	NA
+C16267	Cyclopropanecarboxylate	C4H6O2	86.0368	NA	KEGG	NA	NA
+C16835	Succinic aldehyde	C4H6O2	86.0368	NA	KEGG	NA	NA
+CJneg0008	Citric acid [(M-H)-(H2O)-2(CO2)]-	C4H5O2	86.037325	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0008	Citric acid [(M-H)-(H2O)-2(CO2)]-	C4H5O2	86.037325	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00721	Glycylproline	C7H12N2O3	86.0423965	MH2+	Inhouse_peptide	NA	peptide
+HMDB06478	iso-Valeraldehyde	C5H10O	86.07316	http://www.hmdb.ca/metabolites/HMDB06478	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06478	iso-Valeraldehyde	C5H10O	86.07316	http://www.hmdb.ca/metabolites/HMDB06478	HMDB	NA	NA
+HMDB06478	iso-Valeraldehyde	C5H10O	86.07316	http://www.hmdb.ca/metabolites/HMDB06478	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06478	iso-Valeraldehyde	C5H10O	86.07316	HMDB06478	PFEM_hmdb_metabocards_official	NA	NA
+MJ000238	1-Penten-3-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000239	2-Methyl-2-buten-1-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000240	2-Methyl-3-buten-2-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000241	2-Methylbutanal 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000242	2-Pentanone 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000243	2-Penten-1-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000244	3-Methyl-2-butanone 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000245	3-Methyl-2-buten-1-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000246	3-Methyl-3-buten-1-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000247	3-Methyl-3-buten-2-ol 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000248	3-Methylbutanal 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000249	3-Pentanone 	C5H10O	86.073164	NA	MeJP	NA	NA
+MJ000250	Pentanal 	C5H10O	86.073164	NA	MeJP	NA	NA
+MetaCyc00206	prenol []	C5H10O1	86.073165	556-82-1	metacyc	NA	NA
+MetaCyc00207	pentan-2-one []	C5H10O1	86.073165	107-87-9	metacyc	NA	NA
+MetaCyc00208	2-methylbutanal [2-methylbutyraldehyde;]	C5H10O1	86.073165	96-17-3	metacyc	NA	NA
+MetaCyc00209	cyclopentanol []	C5H10O1	86.073165	96-41-3	metacyc	NA	NA
+MetaCyc00210	3-methylbutanal [3-methylbutanal;isoamylaldehyde;isopentaldehyde;]	C5H10O1	86.073165	NA	metacyc	NA	NA
+HMDB06478	Iso-Valeraldehyde	C5H10O	86.073166	NA	HMDB2010	NA	NA
+C01390	Prenol	C5H10O	86.0732	NA	KEGG	NA	NA
+C01392	alpha-Tubulin	C11H13N2O4R	86.0732	NA	KEGG	NA	NA
+C01949	Pentan-2-one	C5H10O	86.0732	NA	KEGG	NA	NA
+C02020	Cyclopentanol	C5H10O	86.0732	NA	KEGG	NA	NA
+C02021	Cytochrome c1	C5H10O	86.0732	NA	KEGG	NA	NA
+C02223	2-Methylbutanal	C5H10O	86.0732	NA	KEGG	NA	NA
+C07329	3-Methylbutanal	C5H10O	86.0732	NA	KEGG	NA	NA
+CJneg0009	3-methyl-2-oxovaleric acid [(M-H)-(CO2)]-	C5H9O	86.073725	C18rt(min)=5.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0009	3-methyl-2-oxovaleric acid [(M-H)-(CO2)]-	C5H9O	86.073725	C18rt(min)=5.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000251	Piperazine 	C4H10N2	86.084398	NA	MeJP	NA	NA
+MetaCyc00211	piperazine [pripsen;hexahydropyrazine;piperazidine;diethylenediamine;]	C4H10N2	86.084398	110-85-0	metacyc	NA	NA
+C07973	Piperazine	C4H10N2	86.0844	NA	KEGG	NA	NA
+MJ000252	Hexane 	C6H14	86.10955	NA	MeJP	NA	NA
+C11271	n-Hexane	C6H14	86.1096	NA	KEGG	NA	NA
+HMDB04225	2-Oxoarginine	C6H11N3O3	86.540024	MH2+	Inhouse_peptide	NA	peptide
+MJ000253	Ethyl isothiocyanate 	C3H5NS	87.014269	NA	MeJP	NA	NA
+C02218	2-Aminoacrylate	C3H5NO2	87.032	NA	KEGG	NA	NA
+C06695	2-Oxazolidinone	C3H5NO2	87.032	NA	KEGG	NA	NA
+HMDB03609	2-Aminoacrylic acid	C3H5NO2	87.032028	NA	HMDB2010	NA	NA
+MJ000254	2-Amino-2-propenoic acid 	C3H5NO2	87.032028	NA	MeJP	NA	NA
+MJ000255	3-Isoxazolidinone 	C3H5NO2	87.032028	NA	MeJP	NA	NA
+MJ000256	Pyruvaldehyde; 1-Oxime 	C3H5NO2	87.032028	NA	MeJP	NA	NA
+MetaCyc00212	dehydroalanine []	C3H5N1O2	87.032028	NA	metacyc	NA	NA
+MetaCyc00213	2-aminoacrylate []	C3H5N1O2	87.032028	NA	metacyc	NA	NA
+HMDB03609	2-Aminoacrylate	C3H5NO2	87.03203	http://www.hmdb.ca/metabolites/HMDB03609	HMDB	NA	NA
+HMDB03609	2-Aminoacrylate	C3H5NO2	87.03203	HMDB03609	PFEM_hmdb_metabocards_official	NA	NA
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR442	Serine F2	NA	87.033475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR442	Serine F2	NA	87.033475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR442	Serine F2	NA	87.033475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR442	Serine F2	F2	87.033475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR442	Serine F2	NA	87.033475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR442	Serine F2	F2	87.033475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7594	ACE inhibitor	VG	87.0445	MH2+	Inhouse_peptide	NA	peptide
+7608	ACE inhibitor	GV	87.0445	MH2+	Inhouse_peptide	NA	peptide
+HMDB03357	N-Acetylornithine	C7H14N2O3	87.0502245	MH2+	Inhouse_peptide	NA	peptide
+HMDB00517	L-Arginine	C6H14N4O2	87.0558395	MH2+	Inhouse_peptide	NA	peptide
+C00555	4-Aminobutyraldehyde	C4H9NO	87.0684	NA	KEGG	NA	NA
+C03219	2-Methylpropanal oxime	C4H9NO	87.0684	NA	KEGG	NA	NA
+C14452	Morpholine	C4H9NO	87.0684	NA	KEGG	NA	NA
+HMDB01080	4-Aminobutyraldehyde	C4H9NO	87.06841	http://www.hmdb.ca/metabolites/HMDB01080	HMDB	NA	NA
+HMDB01080	4-Aminobutyraldehyde	C4H9NO	87.06841	HMDB01080	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01080	4-Aminobutyraldehyde	C4H9NO	87.068413	NA	HMDB2010	NA	NA
+MJ000257	N-Ethylacetamide 	C4H9NO	87.068413	NA	MeJP	NA	NA
+MJ000258	4-Aminobutanal 	C4H9NO	87.068413	NA	MeJP	NA	NA
+MetaCyc00214	morpholine [tetrahydro-14-iso-xazine;]	C4H9N1O1	87.068414	110-91-8	metacyc	NA	NA
+MetaCyc00215	isobutyramide [2-methylpropionamide;]	C4H9N1O1	87.068414	563-83-7	metacyc	NA	NA
+MetaCyc00216	ethylacetimidate []	C4H9N1O1	87.068414	NA	metacyc	NA	NA
+MetaCyc00217	(Z)-2-methylpropanal-oxime []	C4H9N1O1	87.068414	NA	metacyc	NA	NA
+MetaCyc00218	butyramide [n-butylamide;n-butyramide;butanamide;butanimidic acid;butanoic acid, amide;]	C4H9N1O1	87.068414	NA	metacyc	NA	NA
+MetaCyc00219	(E)-2-methylpropanal-oxime []	C4H9N1O1	87.068414	151-00-8	metacyc	NA	NA
+MetaCyc00220	4-amino-butyraldehyde [4-aminobutanal;&gamma;-aminobutyraldehyde;4-aminobutyraldehyde;]	C4H9N1O1	87.068414	4390-05-0	metacyc	NA	NA
+MJ000259	3-Methyl-1-butylamine 	C5H13N	87.104799	NA	MeJP	NA	NA
+MetaCyc00221	n-amylamine [1-pentanamine;1-aminopentane;1-pentylamine;monoamylamine;norleucamine;n-amylamine;n-pentylamine;]	C5H13N1	87.104799	110-58-7	metacyc	NA	NA
+C02640	3-Methylbutanamine	C5H13N	87.1048	NA	KEGG	NA	NA
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	87.5240325	MH2+	Inhouse_peptide	NA	peptide
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	87.5296555	MH2+	Inhouse_peptide	NA	peptide
+HMDB00904	Citrulline	C6H13N3O3	87.547844	MH2+	Inhouse_peptide	NA	peptide
+HMDB03148	Argininic acid	C6H13N3O3	87.547844	MH2+	Inhouse_peptide	NA	peptide
+C13884	Strontium	Sr	87.9056	NA	KEGG	NA	NA
+HMDB03642	Strontium	[Sr]2+	87.905609	NA	HMDB2010	NA	NA
+HMDB03642	Strontium	Sr	87.90561	http://www.hmdb.ca/metabolites/HMDB03642	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03642	Strontium	Sr	87.90561	http://www.hmdb.ca/metabolites/HMDB03642	HMDB	NA	NA
+HMDB03642	Strontium	Sr	87.90561	http://www.hmdb.ca/metabolites/HMDB03642	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03642	Strontium	Sr	87.90561	HMDB03642	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00222	FeS iron-sulfur center [iron-sulfur cluster;FeS iron-sulfur cluster;FeS cluster;FeS center;FeS;thioxoiron;ferrous sulfide;]	S1FE1	87.907013	NA	metacyc	NA	NA
+C00022	Pyruvate	C3H4O3	88.016	NA	KEGG	NA	NA
+C00222	3-Oxopropanoate	C3H4O3	88.016	NA	KEGG	NA	NA
+C12069	3-Hydroxypropenoate	C3H4O3	88.016	NA	KEGG	NA	NA
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	http://www.hmdb.ca/metabolites/HMDB00243	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	http://www.hmdb.ca/metabolites/HMDB00243	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	http://www.hmdb.ca/metabolites/HMDB00243	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	http://www.hmdb.ca/metabolites/HMDB00243	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	http://www.hmdb.ca/metabolites/HMDB00243	HMDB	NA	NA
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	http://www.hmdb.ca/metabolites/HMDB00243	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00243	Pyruvic acid	C3H4O3	88.01604	HMDB00243	PFEM_hmdb_metabocards_official	NA	NA
+MJ000260	3-Oxopropanoate 	C3H4O3	88.016043	NA	MeJP	NA	NA
+MJ000261	Pyruvate 	C3H4O3	88.016043	NA	MeJP	NA	NA
+MJ000262	3-Oxopropanoic acid 	C3H4O3	88.016043	NA	MeJP	NA	NA
+MJ000263	Pyruvic acid 	C3H4O3	88.016043	NA	MeJP	NA	NA
+MetaCyc00223	malonate semialdehyde [3-oxopropanoate;malonate-S-ald;]	C3H4O3	88.016044	926-61-4	metacyc	NA	NA
+MetaCyc00224	3-hydroxypropenoate []	C3H4O3	88.016044	503-66-2	metacyc	NA	NA
+MetaCyc00225	pyruvate [BTS;&alpha;-ketopropionic acid;acetylformic acid;pyroracemic acid;2-oxopropanoic acid;pyruvic acid;2-oxopropanoate;2-oxo-propionic acid;]	C3H4O3	88.016044	127-17-3	metacyc	NA	NA
+HMDB00243	Pyruvic acid	C3H4O3	88.016045	NA	HMDB2010	NA	NA
+HMDB11111	Malonic semialdehyde	C3H4O3	88.016045	NA	HMDB2010	NA	NA
+CJneg0010	Ascorbic acid [(M-H)-(C2H4O2)-(CO)]-	C3H3O3	88.016625	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0011	Pyruvic acid [(M-H)]-	C3H3O3	88.016625	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0012	Glyceric acid [(M-H)-(H2O)]-	C3H3O3	88.016625	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0010	Ascorbic acid [(M-H)-(C2H4O2)-(CO)]-	C3H3O3	88.016625	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0011	Pyruvic acid [(M-H)]-	C3H3O3	88.016625	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0012	Glyceric acid [(M-H)-(H2O)]-	C3H3O3	88.016625	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+7612	ACE inhibitor	GT	88.034	MH2+	Inhouse_peptide	NA	peptide
+7621	ACE inhibitor	TG	88.034	MH2+	Inhouse_peptide	NA	peptide
+MJ000264	3-(Methylthio)-1-propene 	C4H8S	88.03467	NA	MeJP	NA	NA
+MetaCyc00226	tetrahydrothiophene []	C4H8S1	88.034671	110-01-0	metacyc	NA	NA
+C00246	Butanoic acid	C4H8O2	88.0524	NA	KEGG	NA	NA
+C00466	Acetoin	C4H8O2	88.0524	NA	KEGG	NA	NA
+C00810	(R)-Acetoin	C4H8O2	88.0524	NA	KEGG	NA	NA
+C00849	Ethyl acetate	C4H8O2	88.0524	NA	KEGG	NA	NA
+C01769	(S)-Acetoin	C4H8O2	88.0524	NA	KEGG	NA	NA
+C02632	2-Methylpropanoate	C4H8O2	88.0524	NA	KEGG	NA	NA
+C14440	1,4-Dioxane	C4H8O2	88.0524	NA	KEGG	NA	NA
+LABER046	Isobutyric	NA	88.052429	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER046	Isobutyric	NA	88.052429	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER046	Isobutyric	NA	88.052429	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER046	Isobutyric	NA	88.052429	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER046	Isobutyric	NA	88.052429	NA	HMDB	NA	NA
+HMDB00039	Butyric acid	C4H8O2	88.052429	NA	HMDB2010	NA	NA
+HMDB01873	Isobutyric acid	C4H8O2	88.052429	NA	HMDB2010	NA	NA
+HMDB03243	Acetoin	C4H8O2	88.052429	NA	HMDB2010	NA	NA
+LABER046	Isobutyric	NA	88.052429	NA	Inhouse_PFEM	NA	NA
+LABER046	Isobutyric	NA	88.052429	NA	Inhousejuil11	NA	NA
+MJ000265	(R)-Acetoin 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000266	(S)-Acetoin 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000267	1-Hydroxy-2-butanone 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000268	2-Butene-1,4-diol 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000269	2-Methylpropanoate 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000270	2-Methylpropanoic acid 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000271	3-Hydroxy-2-butanone 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000272	Butanoate 	C4H8O2	88.052429	NA	MeJP	NA	NA
+MJ000273	Ethyl acetate 	C4H8O2	88.052429	NA	MeJP	NA	NA
+LABER046	Isobutyric	NA	88.052429	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER046	Isobutyric	NA	88.052429	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00039	Butyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB00039	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00039	Butyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB00039	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01873	Isobutyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB01873	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03243	Acetoin	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB03243	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00039	Butyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB00039	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00039	Butyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB00039	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00039	Butyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB00039	HMDB	NA	NA
+HMDB01873	Isobutyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB01873	HMDB	NA	NA
+HMDB03243	Acetoin	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB03243	HMDB	NA	NA
+MetaCyc00227	isobutyrate [2-methylpropionic acid;2-methylpropanoic acid;isobutyric acid;isobutanoate;dimethylacetic acid;2-methylpropanoate;]	C4H8O2	88.05243	79-31-2	metacyc	NA	NA
+MetaCyc00228	ethylacetate [ethylether;ether;ethyl;acetic-acid-ethylester;acet-eth-ester;acet-ethylester;acet-et-ester;Acetic ester;]	C4H8O2	88.05243	141-78-6	metacyc	NA	NA
+MetaCyc00229	(S)-Acetoin [(S)-2-Acetoin;]	C4H8O2	88.05243	NA	metacyc	NA	NA
+MetaCyc00230	butyrate [Butyrate (n-C4:0);2-butanoate;butyric acid;butanoic acid;ethylacetic acid;butanoate;1-propanecarboxylic acid;propylformic acid;]	C4H8O2	88.05243	107-92-6	metacyc	NA	NA
+MetaCyc00231	acetoin [(R)-acetoin;acetylmethylcarbinol;3-hydroxy-2-butanone;(R)-2-acetoin;(R)-3-hydroxy-2-butanone;(R)-dimethylketol;(R)-3-hydroxybutan-2-one;3-hydroxybutan-2-one;]	C4H8O2	88.05243	513-86-0	metacyc	NA	NA
+HMDB00039	Butyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB00039	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01873	Isobutyric acid	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB01873	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03243	Acetoin	C4H8O2	88.05243	http://www.hmdb.ca/metabolites/HMDB03243	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00039	Butyric acid	C4H8O2	88.05243	HMDB00039	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01873	Isobutyric acid	C4H8O2	88.05243	HMDB01873	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03243	Acetoin	C4H8O2	88.05243	HMDB03243	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00232	alaninamide []	C3H8N2O1	88.063663	NA	metacyc	NA	NA
+C16364	N,N'-Dimethylurea	C3H8N2O	88.0637	NA	KEGG	NA	NA
+C07328	3-Methylbutanol	C5H12O	88.0888	NA	KEGG	NA	NA
+C11344	Methyl tert-butyl ether	C5H12O	88.0888	NA	KEGG	NA	NA
+C16834	1-Pentanol	C5H12O	88.0888	NA	KEGG	NA	NA
+HMDB06007	Isopentanol	C5H12O	88.088814	NA	HMDB2010	NA	NA
+MJ000274	1-Methoxy-2-methylpropane 	C5H12O	88.088815	NA	MeJP	NA	NA
+MJ000275	1-Pentanol 	C5H12O	88.088815	NA	MeJP	NA	NA
+MJ000276	2-Methyl-1-butanol 	C5H12O	88.088815	NA	MeJP	NA	NA
+MJ000277	2-Methyl-2-butanol 	C5H12O	88.088815	NA	MeJP	NA	NA
+MJ000278	3-Methyl-1-butanol 	C5H12O	88.088815	NA	MeJP	NA	NA
+MetaCyc00233	n-pentanol [n-pentyl-alcohol;pentyl-alcohol;1-pentanol;pentanol;pentan-1-ol;]	C5H12O1	88.088815	71-41-0	metacyc	NA	NA
+MetaCyc00234	2-methylbutanol [active amyl alcohol;2-methyl-n-butanol;2-methylbutyl alcohol;sec-butylcarbinol;]	C5H12O1	88.088815	NA	metacyc	NA	NA
+MetaCyc00235	isoamyl alcohol [isopentanol;]	C5H12O1	88.088815	NA	metacyc	NA	NA
+MetaCyc00236	3-methylbutanol []	C5H12O1	88.088815	NA	metacyc	NA	NA
+C00134	Putrescine	C4H12N2	88.1	NA	KEGG	NA	NA
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	PFEM_hmdb_metabocards_urine	NA	urine
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	HMDB	NA	NA
+HMDB01414	Putrescine	C4H12N2	88.100044	NA	HMDB2010	NA	NA
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	Inhouse_PFEM	NA	NA
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	Inhousejuil11	NA	NA
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	PFEM_hmdb_metabocards_blood	NA	blood
+LABER037	Putrescine	NA	88.100044	RT 1.5 fragt 89, 72, 30	PFEM_hmdb_metabocards_official	NA	NA
+MJ000279	Putrescine 	C4H12N2	88.100048	NA	MeJP	NA	NA
+MJ000280	1,4-Butanediamine 	C4H12N2	88.100048	NA	MeJP	NA	NA
+MetaCyc00237	putrescine [1,4-diaminobutane;1,4-butanediamine;tetramethylenediamine;putrescine;]	C4H12N2	88.100048	110-60-1	metacyc	NA	NA
+HMDB01414	Putrescine	C4H12N2	88.10005	http://www.hmdb.ca/metabolites/HMDB01414	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01414	Putrescine	C4H12N2	88.10005	http://www.hmdb.ca/metabolites/HMDB01414	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01414	Putrescine	C4H12N2	88.10005	http://www.hmdb.ca/metabolites/HMDB01414	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01414	Putrescine	C4H12N2	88.10005	http://www.hmdb.ca/metabolites/HMDB01414	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01414	Putrescine	C4H12N2	88.10005	http://www.hmdb.ca/metabolites/HMDB01414	HMDB	NA	NA
+HMDB01414	Putrescine	C4H12N2	88.10005	http://www.hmdb.ca/metabolites/HMDB01414	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01414	Putrescine	C4H12N2	88.10005	HMDB01414	PFEM_hmdb_metabocards_official	NA	NA
+C00824	Iron-sulfur	FeHS	88.9148	NA	KEGG	NA	NA
+MJ000281	Hydroxyiminoacetic acid 	C2H3NO3	89.011292	NA	MeJP	NA	NA
+MetaCyc00238	oxamate []	C2H3N1O3	89.011293	471-47-6	metacyc	NA	NA
+C01444	Oxamate	C2H3NO3	89.0113	NA	KEGG	NA	NA
+C01445	Poly(G)	C20H25N10O12P	89.0113	NA	KEGG	NA	NA
+C01446	Pro-Xaa	C7H11N2O3R	89.0113	NA	KEGG	NA	NA
+HMDB00078	Cysteinylglycine	C5H10N2O3S	89.020607	MH2+	Inhouse_peptide	NA	peptide
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR289	Homocysteine F5	NA	89.033475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR289	Homocysteine F5	NA	89.033475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR289	Homocysteine F5	NA	89.033475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR289	Homocysteine F5	NA	89.033475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR289	Homocysteine F5	F5	89.033475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	HMDB	NA	NA
+HMDB00056	Beta-Alanine	C3H7NO2	89.047676	NA	HMDB2010	NA	NA
+HMDB00161	L-Alanine	C3H7NO2	89.047676	NA	HMDB2010	NA	NA
+HMDB00271	Sarcosine	C3H7NO2	89.047676	NA	HMDB2010	NA	NA
+HMDB01310	D-Alanine	C3H7NO2	89.047676	NA	HMDB2010	NA	NA
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	Inhouse_PFEM	NA	NA
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	Inhousejuil11	NA	NA
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER059	Sarcosine	NA	89.047676	RT 1.99 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MJ000282	Alanine 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000283	D-Alanine 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000284	L-Alanine 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000285	Sarcosine 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000286	beta-Alanine 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000287	2-Methylaminoacetic acid 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000288	3-Aminopropanoic acid 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000289	Alanine 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MJ000290	Ethyl carbamate 	C3H7NO2	89.047678	NA	MeJP	NA	NA
+MetaCyc00239	urethan [urethane;ethyl carbamate;]	C3H7N1O2	89.047678	NA	metacyc	NA	NA
+MetaCyc00240	sarcosine [N-methylglycine;]	C3H7N1O2	89.047678	107-97-1	metacyc	NA	NA
+MetaCyc00241	2-nitropropane []	C3H7N1O2	89.047678	79-46-9	metacyc	NA	NA
+MetaCyc00242	L-alanine [alanine;L-&alpha;-alanine;]	C3H7N1O2	89.047678	56-41-7	metacyc	NA	NA
+MetaCyc00243	D-alanine []	C3H7N1O2	89.047678	338-69-2	metacyc	NA	NA
+MetaCyc00244	&beta;-alanine [&beta;-alanine;3-aminopropanoate;]	C3H7N1O2	89.047678	107-95-9	metacyc	NA	NA
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00056	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00161	L-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00161	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00271	Sarcosine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00271	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00056	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00161	L-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00161	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00271	Sarcosine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00271	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00056	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00161	L-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00161	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00271	Sarcosine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00271	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00056	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00161	L-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00161	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00271	Sarcosine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00271	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00056	HMDB	NA	NA
+HMDB00161	L-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00161	HMDB	NA	NA
+HMDB00271	Sarcosine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00271	HMDB	NA	NA
+HMDB01310	D-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB01310	HMDB	NA	NA
+HMDB00056	Beta-Alanine	C3H7NO2	89.04768	Aromatic/Heterocyclic glycine conjugates  ;SYN:((2-hydroxybenzoyl)amino)acetic acid; (2-Hydroxybenzoyl)glycine; 2-Hydroxybenzoylglycine; 2-Hydroxyhippurate; 2-Hydroxyhippuric acid; 2-hydroxybenzoylaminoacetate; 2-hydroxybenzoylaminoacetic acid; N-(2-Hydroxybenzoyl)-glycine; N-Salicyloylglycine; N-o-Hydroxybenzoylglycine; Salicylglycine; Salicyloylglycine; Salicylurate; Salicyluric acid; [(2-Hydroxybenzoyl)amino]acetate; [(2-Hydroxybenzoyl)amino]acetic acid; o-Hydroxyhippurate; o-Hydroxyhippuric acid; o-hydroxy-Hippurate; o-hydroxy-Hippuric acid; ortho-Hydroxyhippurate; ortho-Hydroxyhippuric acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00161	L-Alanine	C3H7NO2	89.04768	Polypeptides  ;SYN:Hypertensin; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Angiotonin; Ang II; Asp-arg-val-TYR-ile-his-pro-phe; 1-8-Angiotensin I; Angiotensin 2; Human angiotensin II; Angiotensin II (human); Angiotensin II (mouse); Ile(5)-angiotensin IIH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00271	Sarcosine	C3H7NO2	89.04768	NA  ;SYN:3-Carboxylpyridine; 3-Carboxypyridine; 3-Pyridinecarboxylate; 3-Pyridinecarboxylic acid; 3-Pyridylcarboxylate; 3-Pyridylcarboxylic acid; Akotin; Apelagrin; Daskil; Efacin; Enduracin; Linic; Niac; Niacor; Nicacid; Nicangin; Nico-Span; Nicodelmine; Niconacid; Nicosan 3; Nicotinate; Nicotinic acid; Nicotinipca; Nicyl; Nyclin; Pellagrin; Pelonin; Slo-niacin; niacin; niacine; nicamin; nicobid; nicocap; nicolar; wampocapH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00056	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00161	L-Alanine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00161	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00271	Sarcosine	C3H7NO2	89.04768	http://www.hmdb.ca/metabolites/HMDB00271	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00056	beta-Alanine	C3H7NO2	89.04768	HMDB00056	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00161	L-Alanine	C3H7NO2	89.04768	HMDB00161	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00271	Sarcosine	C3H7NO2	89.04768	HMDB00271	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01310	D-Alanine	C3H7NO2	89.04768	HMDB01310	PFEM_hmdb_metabocards_official	NA	NA
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	PFEM_hmdb_metabocards_urine	NA	urine
+EUR017	Alanine	C3H7NO2	89.0477	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR017	Alanine	C3H7NO2	89.0477	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR017	Alanine	C3H7NO2	89.0477	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	HMDB	NA	NA
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	Inhouse_PFEM	NA	NA
+EUR017	Alanine	C3H7NO2	89.0477	Wishlist	Inhousejuil11	NA	NA
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	Inhousejuil11	NA	NA
+C00041	L-Alanine	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C00099	beta-Alanine	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C00133	D-Alanine	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C00213	Sarcosine	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C01401	Alanine	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C01402	Anilide	C7H6NOR	89.0477	NA	KEGG	NA	NA
+C01537	Urethane	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C01538	Vimentin	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C01539	Viologen	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C02116	2-Nitropropane	C3H7NO2	89.0477	NA	KEGG	NA	NA
+C11488	HMMF	C3H7NO2	89.0477	NA	KEGG	NA	NA
+PJ000002	A 	C3H7NO2	89.0477	NA	PeJP	NA	NA
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	PFEM_hmdb_metabocards_blood	NA	blood
+LABER009	Alanine	C3H7NO2	89.0477	RT 1.78 90, 44	PFEM_hmdb_metabocards_official	NA	NA
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR345	Acide pantothenique F5	NA	89.049075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR345	Acide pantothenique F5	NA	89.049075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR345	Acide pantothenique F5	NA	89.049075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR345	Acide pantothenique F5	NA	89.049075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR345	pantothenic acid F5	F5	89.049075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR432	Alanine F1	NA	89.049675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR432	Alanine F1	NA	89.049675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C06383	N-(Aminomethyl)urea	C2H7N3O	89.0589	NA	KEGG	NA	NA
+MJ000291	1-Amino-2-methyl-2-propanol 	C4H11NO	89.084063	NA	MeJP	NA	NA
+MJ000292	2-(Dimethylamino)ethanol 	C4H11NO	89.084063	NA	MeJP	NA	NA
+MJ000293	(Hydroxymethyl)trimethylammonium(1+) 	C4H12NO(+)	89.084064	NA	MeJP	NA	NA
+MetaCyc00245	N-dimethylethanolamine []	C4H11N1O1	89.084064	NA	metacyc	NA	NA
+HMDB01475	Zirconium	Zr	89.9047	http://www.hmdb.ca/metabolites/HMDB01475	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01475	Zirconium	Zr	89.9047	http://www.hmdb.ca/metabolites/HMDB01475	HMDB	NA	NA
+HMDB01475	Zirconium	Zr	89.9047	http://www.hmdb.ca/metabolites/HMDB01475	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01475	Zirconium	Zr	89.9047	HMDB01475	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01475	Zirconium	[Zr]4+	89.904701	NA	HMDB2010	NA	NA
+C06613	trans-3-Chloroallyl aldehyde	C3H3ClO	89.9872	NA	KEGG	NA	NA
+C16348	cis-3-Chloroallyl aldehyde	C3H3ClO	89.9872	NA	KEGG	NA	NA
+HMDB06917	Cis-3-Chloroallyl aldehyde	C3H3ClO	89.98724	http://www.hmdb.ca/metabolites/HMDB06917	HMDB	NA	NA
+HMDB06920	trans-3-Chloroallyl aldehyde	C3H3ClO	89.98724	http://www.hmdb.ca/metabolites/HMDB06920	HMDB	NA	NA
+HMDB06917	Cis-3-Chloroallyl aldehyde	C3H3ClO	89.98724	HMDB06917	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06920	trans-3-Chloroallyl aldehyde	C3H3ClO	89.98724	HMDB06920	PFEM_hmdb_metabocards_official	NA	NA
+MJ000294	3-Chloroallyl aldehyde 	C3H3ClO	89.987242	NA	MeJP	NA	NA
+C00209	Oxalate	C2H2O4	89.9953	NA	KEGG	NA	NA
+HMDB02329	Oxalic acid	C2H2O4	89.995308	NA	HMDB2010	NA	NA
+MJ000295	Oxalate 	C2H2O4	89.995308	NA	MeJP	NA	NA
+MJ000296	Oxalic acid 	C2H2O4	89.995308	NA	MeJP	NA	NA
+MetaCyc00246	oxalate [oxalic acid;ethanedioic acid;]	C2H2O4	89.995309	144-62-7	metacyc	NA	NA
+HMDB02329	Oxalic acid	C2H2O4	89.99531	http://www.hmdb.ca/metabolites/HMDB02329	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02329	Oxalic acid	C2H2O4	89.99531	http://www.hmdb.ca/metabolites/HMDB02329	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02329	Oxalic acid	C2H2O4	89.99531	http://www.hmdb.ca/metabolites/HMDB02329	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02329	Oxalic acid	C2H2O4	89.99531	http://www.hmdb.ca/metabolites/HMDB02329	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02329	Oxalic acid	C2H2O4	89.99531	http://www.hmdb.ca/metabolites/HMDB02329	HMDB	NA	NA
+HMDB02329	Oxalic acid	C2H2O4	89.99531	http://www.hmdb.ca/metabolites/HMDB02329	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02329	Oxalic acid	C2H2O4	89.99531	HMDB02329	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0013	Malonic acid [(2M-H)-(C4H6O4)]-	C2HO4	89.995825	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0014	Oxalic acid [(M-H)]-	C2HO4	89.995825	C18rt(min)=0.95 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0013	Malonic acid [(2M-H)-(C4H6O4)]-	C2HO4	89.995825	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0014	Oxalic acid [(M-H)]-	C2HO4	89.995825	C18rt(min)=0.95 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C08389	Propanethial S-oxide	C3H6OS	90.0139	NA	KEGG	NA	NA
+MetaCyc00247	carboxymethoxylamine [(aminooxy)acetic acid;(aminooxy)acetate;hydroxylamine-O-acetic acid;]	C2H4N1O3	90.019118	645-88-5	metacyc	NA	NA
+HMDB03269	Nicotinuric acid	C8H8N2O3	90.0267485	MH2+	Inhouse_peptide	NA	peptide
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00190	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00700	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01311	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01882	Dihydroxyacetone	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01882	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00190	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00700	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01051	Glyceraldehyde	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01051	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01311	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00190	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00700	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01311	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01882	Dihydroxyacetone	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01882	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00190	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00700	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01311	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01882	Dihydroxyacetone	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01882	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00190	HMDB	NA	NA
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00700	HMDB	NA	NA
+HMDB01051	Glyceraldehyde	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01051	HMDB	NA	NA
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01311	HMDB	NA	NA
+HMDB01882	Dihydroxyacetone	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01882	HMDB	NA	NA
+HMDB03328	b-Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB03328	HMDB	NA	NA
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00190	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB00700	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01051	Glyceraldehyde	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01051	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	http://www.hmdb.ca/metabolites/HMDB01311	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00190	L-Lactic acid	C3H6O3	90.03169	HMDB00190	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.03169	HMDB00700	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01051	Glyceraldehyde	C3H6O3	90.03169	HMDB01051	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01311	D-Lactic acid	C3H6O3	90.03169	HMDB01311	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01882	Dihydroxyacetone	C3H6O3	90.03169	HMDB01882	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03328	b-Hydroxypropionic acid	C3H6O3	90.03169	HMDB03328	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00190	L-Lactic acid	C3H6O3	90.031693	NA	HMDB2010	NA	NA
+HMDB00700	Hydroxypropionic acid	C3H6O3	90.031693	NA	HMDB2010	NA	NA
+HMDB01051	Glyceraldehyde	C3H6O3	90.031693	NA	HMDB2010	NA	NA
+HMDB01311	D-Lactic acid	C3H6O3	90.031693	NA	HMDB2010	NA	NA
+HMDB01882	Dihydroxyacetone	C3H6O3	90.031693	NA	HMDB2010	NA	NA
+MJ000297	1,3-Dihydroxy-2-propanone 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MJ000298	2-Hydroxypropanoic acid 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MJ000299	(R)-Lactate 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MJ000300	(S)-Lactate 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MJ000301	3-Hydroxypropanoate 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MJ000302	D-Glyceraldehyde 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MJ000303	Glycerone 	C3H6O3	90.031694	NA	MeJP	NA	NA
+MetaCyc00248	lactate [lactic acid;L(+)-lactate;(S)-lactate;L-lactate;lactasol;lac;2-hydroxypropanoic acid;2-hydroxypropionic acid;]	C3H6O3	90.031694	79-33-4	metacyc	NA	NA
+MetaCyc00249	L-glyceraldehyde []	C3H6O3	90.031694	NA	metacyc	NA	NA
+MetaCyc00250	glyceraldehyde [D-glyceraldehyde;&alpha;,&beta;-dihydroxypropionaldehyde;]	C3H6O3	90.031694	367-47-5	metacyc	NA	NA
+MetaCyc00251	dihydroxy-acetone [glycerone;1,3-dihydroxyacetone;]	C3H6O3	90.031694	96-26-4	metacyc	NA	NA
+MetaCyc00252	D-lactate [(R)-2-hydroxypropanate;(R)-lactate;lactate;]	C3H6O3	90.031694	10326-41-7	metacyc	NA	NA
+MetaCyc00253	3-hydroxy-propionate [3-Hydroxypropanoate;&beta;-hydroxypropionate;3-Hydroxypropanoic acid;3-Hydropropionic acid;Hydracrylic acid;]	C3H6O3	90.031694	503-66-2	metacyc	NA	NA
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	HMDB	NA	NA
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	Inhouse_PFEM	NA	NA
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR197	Lactate	C3H6O3	90.031695	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR197	Lactate	C3H6O3	90.0317	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR197	Lactate	C3H6O3	90.0317	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR197	Lactate	C3H6O3	90.0317	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR197	Lactate	C3H6O3	90.0317	Wishlist	Inhousejuil11	NA	NA
+C00184	Glycerone	C3H6O3	90.0317	NA	KEGG	NA	NA
+C00186	(S)-Lactate	C3H6O3	90.0317	NA	KEGG	NA	NA
+C00256	(R)-Lactate	C3H6O3	90.0317	NA	KEGG	NA	NA
+C00577	D-Glyceraldehyde	C3H6O3	90.0317	NA	KEGG	NA	NA
+C01013	3-Hydroxypropanoate	C3H6O3	90.0317	NA	KEGG	NA	NA
+C01432	Lactate	C3H6O3	90.0317	NA	KEGG	NA	NA
+C02154	Glyceraldehyde	C3H6O3	90.0317	NA	KEGG	NA	NA
+C02426	L-Glyceraldehyde	C3H6O3	90.0317	NA	KEGG	NA	NA
+CJneg0015	Lactic acid [(M-H)]-	C3H5O3	90.032225	C18rt(min)=1.1 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0015	Lactic acid [(M-H)]-	C3H5O3	90.032225	C18rt(min)=1.1 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02390	Methylazoxymethanol	C2H6N2O2	90.0429	NA	KEGG	NA	NA
+C02391	Carboxylic ester	CO2R2	90.0429	NA	KEGG	NA	NA
+C06384	N-(Hydroxymethyl)urea	C2H6N2O2	90.0429	NA	KEGG	NA	NA
+MetaCyc00254	N-hydroxymethylurea []	C2H6N2O2	90.042927	1000-82-4	metacyc	NA	NA
+MetaCyc00255	methylazoxymethanol [CH(3)-N(O)=N-CH(2)OH;methyl-ONN-azoxymethanol;]	C2H6N2O2	90.042927	NA	metacyc	NA	NA
+C02272	Diethyl sulfide	C4H10S	90.0503	NA	KEGG	NA	NA
+HMDB03156	2,3-Butanediol	C4H10O2	90.068077	NA	HMDB2010	NA	NA
+MJ000304	(R,R)-Butane-2,3-diol 	C4H10O2	90.068079	NA	MeJP	NA	NA
+MJ000305	(S,S)-Butane-2,3-diol 	C4H10O2	90.068079	NA	MeJP	NA	NA
+MJ000306	1,3-Butanediol 	C4H10O2	90.068079	NA	MeJP	NA	NA
+MJ000307	2,3-Butanediol 	C4H10O2	90.068079	NA	MeJP	NA	NA
+HMDB03156	2,3-Butanediol	C4H10O2	90.06808	http://www.hmdb.ca/metabolites/HMDB03156	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03156	2,3-Butanediol	C4H10O2	90.06808	http://www.hmdb.ca/metabolites/HMDB03156	HMDB	NA	NA
+MetaCyc00256	(S,S)-Butane-2,3-diol [(S,S)-2,3-Butanediol;(S,S)-2,3-Butylene glycol;]	C4H10O2	90.06808	19132-06-0	metacyc	NA	NA
+MetaCyc00257	2,3-butanediol [D(-)-2,3-butanediol;2,3-butylene glycol;(R,R)-2,3-butanediol;butanediol;(R,R)-Butane-2,3-diol;(R,R)-2,3-Butylene glycol;]	C4H10O2	90.06808	24347-58-8	metacyc	NA	NA
+HMDB03156	2,3-Butanediol	C4H10O2	90.06808	http://www.hmdb.ca/metabolites/HMDB03156	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03156	2,3-Butanediol	C4H10O2	90.06808	HMDB03156	PFEM_hmdb_metabocards_official	NA	NA
+C03044	(R,R)-Butane-2,3-diol	C4H10O2	90.0681	NA	KEGG	NA	NA
+C03046	(S,S)-Butane-2,3-diol	C4H10O2	90.0681	NA	KEGG	NA	NA
+C14687	2-Ethoxyethanol	C4H10O2	90.0681	NA	KEGG	NA	NA
+MetaCyc00258	N4-hydroxy-1-aminopropane []	C3H10N2O1	90.079313	NA	metacyc	NA	NA
+HMDB00158	L-Tyrosine	C9H11NO3	90.536949	MH2+	Inhouse_peptide	NA	peptide
+MJ000308	N-Hydroxyglycine 	C2H5NO3	91.026943	NA	MeJP	NA	NA
+MetaCyc00259	aminooxyacetate []	C2H5N1O3	91.026943	NA	metacyc	NA	NA
+MJ000309	1-Amino-2-propanethiol 	C3H9NS	91.045569	NA	MeJP	NA	NA
+C06057	3-Aminopropane-1,2-diol	C3H9NO2	91.0633	NA	KEGG	NA	NA
+C06058	Nitroalkane	NO2R	91.0633	NA	KEGG	NA	NA
+C06059	Cyclic amidines	NO2R	91.0633	NA	KEGG	NA	NA
+C06060	Amidines	CH3N2R	91.0633	NA	KEGG	NA	NA
+C06061	Nitrogenous compounds	NH2R	91.0633	NA	KEGG	NA	NA
+C06062	Ceramide phosphoethanolamine	C21H42N2O6PR	91.0633	NA	KEGG	NA	NA
+MJ000310	3-Aminopropane-1,2-diol 	C3H9NO2	91.063328	NA	MeJP	NA	NA
+MetaCyc00260	tetramethylammonium hydroxide [TMAH;]	C4H13N1O1	91.099714	NA	metacyc	NA	NA
+C02086	Thioglycolate	C2H4O2S	91.9932	NA	KEGG	NA	NA
+MetaCyc00261	thioglycolate [thioglycolic acid;mercaptoacetic acid;]	C2H4O2S1	91.9932	NA	metacyc	NA	NA
+HMDB06913	cis-3-Chloro-2-propene-1-ol	C3H5ClO	92.00289	http://www.hmdb.ca/metabolites/HMDB06913	HMDB	NA	NA
+HMDB06918	trans-3-Chloroallyl alcohol	C3H5ClO	92.00289	http://www.hmdb.ca/metabolites/HMDB06918	HMDB	NA	NA
+HMDB06913	cis-3-Chloro-2-propene-1-ol	C3H5ClO	92.00289	HMDB06913	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06918	trans-3-Chloroallyl alcohol	C3H5ClO	92.00289	HMDB06918	PFEM_hmdb_metabocards_official	NA	NA
+MJ000311	cis-3-Chloro-2-propene-1-ol 	C3H5ClO	92.002892	NA	MeJP	NA	NA
+MJ000312	trans-3-Chloro-2-propene-1-ol 	C3H5ClO	92.002892	NA	MeJP	NA	NA
+C06611	trans-3-Chloro-2-propene-1-ol	C3H5ClO	92.0029	NA	KEGG	NA	NA
+C06612	cis-3-Chloro-2-propene-1-ol	C3H5ClO	92.0029	NA	KEGG	NA	NA
+C14449	Epichlorohydrin	C3H5ClO	92.0029	NA	KEGG	NA	NA
+MJ000313	2,4-Hexadiynal 	C6H4O	92.026214	NA	MeJP	NA	NA
+HMDB01565	Phosphorylcholine	C5H15NO4P	92.036934	MH2+	Inhouse_peptide	NA	peptide
+EUR008	Glycerol	C3H8O3	92.0473	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR008	Glycerol	C3H8O3	92.0473	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR008	Glycerol	C3H8O3	92.0473	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR008	Glycerol	C3H8O3	92.0473	Wishlist	Inhousejuil11	NA	NA
+C00116	Glycerol	C3H8O3	92.0473	NA	KEGG	NA	NA
+HMDB00131	Glycerol	C3H8O3	92.04734	http://www.hmdb.ca/metabolites/HMDB00131	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00131	Glycerol	C3H8O3	92.04734	http://www.hmdb.ca/metabolites/HMDB00131	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00131	Glycerol	C3H8O3	92.04734	http://www.hmdb.ca/metabolites/HMDB00131	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00131	Glycerol	C3H8O3	92.04734	http://www.hmdb.ca/metabolites/HMDB00131	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00131	Glycerol	C3H8O3	92.04734	http://www.hmdb.ca/metabolites/HMDB00131	HMDB	NA	NA
+HMDB00131	Glycerol	C3H8O3	92.04734	http://www.hmdb.ca/metabolites/HMDB00131	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00131	Glycerol	C3H8O3	92.04734	HMDB00131	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00131	Glycerol	C3H8O3	92.04734	NA	HMDB2010	NA	NA
+MJ000314	Glycerol 	C3H8O3	92.047344	NA	MeJP	NA	NA
+MetaCyc00262	glycerol [1,2,3-trihydroxypropane;glycerin;1,2,3-trihydroxypropanol;]	C3H8O3	92.047344	56-81-5	metacyc	NA	NA
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	HMDB	NA	NA
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	Inhouse_PFEM	NA	NA
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR008	Glycerol	C3H8O3	92.047345	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+C01455	Toluene	C7H8	92.0626	NA	KEGG	NA	NA
+MJ000315	Toluene 	C7H8	92.0626	NA	MeJP	NA	NA
+MetaCyc00263	toluene [methylbenzol;monomethyl benzene;antisal 1a;tolu-sol;methacide;phenyl methane;methylbenzene;toluol;]	C7H8	92.0626	108-88-3	metacyc	NA	NA
+HMDB00272	Phosphoserine	C3H8NO6P	92.504463	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00264	strange group []	C2H5O2S1	93.001025	NA	metacyc	NA	NA
+3177	dipeptidyl-aminopeptidase IV inhibitor	AP	93.0445	MH2+	Inhouse_peptide	NA	peptide
+3179	dipeptidyl-aminopeptidase IV inhibitor	PA	93.0445	MH2+	Inhouse_peptide	NA	peptide
+7584	ACE inhibitor	AP	93.0445	MH2+	Inhouse_peptide	NA	peptide
+C00292	Aniline	C6H7N	93.0578	NA	KEGG	NA	NA
+C00293	Glucose	C6H7N	93.0578	NA	KEGG	NA	NA
+C14447	2-Methylpyridine	C6H7N	93.0578	NA	KEGG	NA	NA
+HMDB03012	Aniline	C6H7N	93.057846	NA	HMDB2010	NA	NA
+MJ000316	2-Methylpyridine 	C6H7N	93.057849	NA	MeJP	NA	NA
+MetaCyc00265	aniline [benzenamine;aminobenzene;phenylamine;]	C6H7N1	93.057849	62-53-3	metacyc	NA	NA
+HMDB03012	Aniline	C6H7N	93.05785	http://www.hmdb.ca/metabolites/HMDB03012	HMDB	NA	NA
+HMDB03012	Aniline	C6H7N	93.05785	HMDB03012	PFEM_hmdb_metabocards_official	NA	NA
+C07755	Magnesium chloride	MgCl2	93.9227	NA	KEGG	NA	NA
+MetaCyc00266	MgCl2 []	MG1CL2	93.922747	NA	metacyc	NA	NA
+C11089	Dichloroacetylene	C2Cl2	93.9377	NA	KEGG	NA	NA
+MJ000317	Bromomethane 	CH3Br	93.941812	NA	MeJP	NA	NA
+MJ000318	Chloroacetic acid 	C2H3ClO2	93.982157	NA	MeJP	NA	NA
+MetaCyc00267	chloroacetate [chloroacetic acid;]	C2H3O2CL1	93.982157	NA	metacyc	NA	NA
+C06755	Chloroacetic acid	C2H3ClO2	93.9822	NA	KEGG	NA	NA
+HMDB05879	Dimethyldisulfide	C2H6S2	93.991089	NA	HMDB2010	NA	NA
+HMDB05879	Dimethyldisulfide	C2H6S2	93.99109	http://www.hmdb.ca/metabolites/HMDB05879	HMDB	NA	NA
+HMDB05879	Dimethyldisulfide	C2H6S2	93.99109	HMDB05879	PFEM_hmdb_metabocards_official	NA	NA
+MJ000319	Dimethyl disulfide 	C2H6S2	93.991091	NA	MeJP	NA	NA
+C08371	Dimethyl disulfide	C2H6S2	93.9911	NA	KEGG	NA	NA
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	HMDB	NA	NA
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	Inhouse_PFEM	NA	NA
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC009	Dimethyl sulfone	C2H6O2S	94.0088	RT3.7	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04983	Dimethyl sulfone	C2H6O2S	94.00885	http://www.hmdb.ca/metabolites/HMDB04983	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04983	Dimethyl sulfone	C2H6O2S	94.00885	http://www.hmdb.ca/metabolites/HMDB04983	HMDB	NA	NA
+HMDB04983	Dimethyl sulfone	C2H6O2S	94.00885	http://www.hmdb.ca/metabolites/HMDB04983	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04983	Dimethyl sulfone	C2H6O2S	94.00885	HMDB04983	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04983	Dimethyl sulfone	C2H6O2S	94.00885	NA	HMDB2010	NA	NA
+C11142	Sulfonylbismethane	C2H6O2S	94.0089	NA	KEGG	NA	NA
+MJ000320	1-Chloro-2-propanol 	C3H7ClO	94.018542	NA	MeJP	NA	NA
+HMDB00228	Phenol	C6H6O	94.04186	http://www.hmdb.ca/metabolites/HMDB00228	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00228	Phenol	C6H6O	94.04186	http://www.hmdb.ca/metabolites/HMDB00228	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00228	Phenol	C6H6O	94.04186	http://www.hmdb.ca/metabolites/HMDB00228	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00228	Phenol	C6H6O	94.04186	http://www.hmdb.ca/metabolites/HMDB00228	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00228	Phenol	C6H6O	94.04186	http://www.hmdb.ca/metabolites/HMDB00228	HMDB	NA	NA
+HMDB00228	Phenol	C6H6O	94.04186	http://www.hmdb.ca/metabolites/HMDB00228	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00228	Phenol	C6H6O	94.04186	HMDB00228	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00228	Phenol	C6H6O	94.041862	NA	HMDB2010	NA	NA
+MJ000321	Phenol 	C6H6O	94.041864	NA	MeJP	NA	NA
+MetaCyc00268	phenol [carbolic acid;phenylalcohol;]	C6H6O1	94.041865	108-95-2	metacyc	NA	NA
+C00146	Phenol	C6H6O	94.0419	NA	KEGG	NA	NA
+C01782	Arene oxide	C6H6O	94.0419	NA	KEGG	NA	NA
+C15584	Phenols	C6H6O	94.0419	NA	KEGG	NA	NA
+C15585	myo-Inositol phosphate	C6H6O	94.0419	NA	KEGG	NA	NA
+CJneg0016	Phenylsulfate/Phenolsulfonic acid [(M-H)-(SO3)]-	C6H5OS0	94.042425	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0016	Phenylsulfate/Phenolsulfonic acid [(M-H)-(SO3)]-	C6H5OS0	94.042425	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3172	dipeptidyl-aminopeptidase IV inhibitor	VA	94.0525	MH2+	Inhouse_peptide	NA	peptide
+7595	ACE inhibitor	IG	94.0525	MH2+	Inhouse_peptide	NA	peptide
+7596	ACE inhibitor	GI	94.0525	MH2+	Inhouse_peptide	NA	peptide
+7599	ACE inhibitor	GL	94.0525	MH2+	Inhouse_peptide	NA	peptide
+7619	ACE inhibitor	LG	94.0525	MH2+	Inhouse_peptide	NA	peptide
+MJ000322	4-Aminopyridine 	C5H6N2	94.053098	NA	MeJP	NA	NA
+C13728	4-Aminopyridine	C5H6N2	94.0531	NA	KEGG	NA	NA
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR210	Histamine F2 	NA	94.053575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR210	Histamine F2 	NA	94.053575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR210	Histamine F2 	NA	94.053575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR210	Histamine F2	F2	94.053575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR210	Histamine F2 	NA	94.053575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR210	Histamine F2	F2	94.053575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0070	Aniline isomer [(M+H)]+ (13C)	C513CH8N	94.060675	C18rt(min)=1.05 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0071	1-methylnicotinamide 2-Methylnicotinamide [(M)-(NHCO)]+ (13C)	C513CH8NO0	94.060675	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0070	Aniline isomer [(M+H)]+ (13C)	C513CH8N	94.060675	C18rt(min)=1.05 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0071	1-methylnicotinamide § 2-Methylnicotinamide [(M)-(NHCO)]+ (13C)	C513CH8NO0	94.060675	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00670	Homo-L-arginine	C7H16N4O2	94.0636595	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00269	N-Methylpyridinium []	C6H8N1	94.065674	NA	metacyc	NA	NA
+C02724	N-Methylpyridinium	C6H8N	94.0657	NA	KEGG	NA	NA
+7624	ACE inhibitor	NG	94.53195	MH2+	Inhouse_peptide	NA	peptide
+HMDB00679	Homocitrulline	C7H15N3O3	94.5556715	MH2+	Inhouse_peptide	NA	peptide
+HMDB01429	Phosphate	O4P	94.95342	http://www.hmdb.ca/metabolites/HMDB01429	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01429	Phosphate	O4P	94.95342	http://www.hmdb.ca/metabolites/HMDB01429	HMDB	NA	NA
+MetaCyc00270	phosphate [inorganic phosphate;phosphate-inorganic;Pi;orthophosphate;PO43-;HPO42-;HPO4-2;]	O4P1	94.95342	14265-44-2	metacyc	NA	NA
+HMDB01429	Phosphate	O4P	94.95342	http://www.hmdb.ca/metabolites/HMDB01429	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01429	Phosphate	O4P	94.95342	HMDB01429	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01429	Phosphate	[PO4]3-	94.953423	NA	HMDB2010	NA	NA
+7620	ACE inhibitor	GD	95.02395	MH2+	Inhouse_peptide	NA	peptide
+7681	ACE inhibitor from soy	DG	95.02395	MH2+	Inhouse_peptide	NA	peptide
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR430	2-pyridone F1	NA	95.036075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0072	Nicotinamide [(M+H)-(HCN)]+	C5H6NO	95.036575	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0072	Nicotinamide [(M+H)-(HCN)]+	C5H6NO	95.036575	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR045	2-pyridone	C5H5NO	95.0371	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR045	2-pyridone	C5H5NO	95.0371	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR045	2-pyridone	C5H5NO	95.0371	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR045	2-pyridone	C5H5NO	95.0371	Wishlist	Inhousejuil11	NA	NA
+C02502	2-Hydroxypyridine	C5H5NO	95.0371	NA	KEGG	NA	NA
+C02503	2-Iron ferredoxin	C5H5NO	95.0371	NA	KEGG	NA	NA
+MJ000323	1H-Pyrrole-2-carboxaldehyde 	C5H5NO	95.037113	NA	MeJP	NA	NA
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	HMDB	NA	NA
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc00271	2-hydroxypyridine []	C5H5N1O1	95.037114	142-08-5	metacyc	NA	NA
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR045	2-pyridone	C5H5NO	95.037114	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ000324	Zinc peroxide (ZnO2) 	O2Zn	95.918975	NA	MeJP	NA	NA
+C05703	Methaneselenol	CH4Se	95.9478	NA	KEGG	NA	NA
+MJ000325	Methaneselenol 	CH4Se	95.947821	NA	MeJP	NA	NA
+HMDB01448	Sulfate	[SO4]2-	95.951729	NA	HMDB2010	NA	NA
+MetaCyc00272	sulfate [sulphate;SO4-2;SO42-;SO4--;]	O4S1	95.951729	14808-79-8	metacyc	NA	NA
+HMDB01448	Sulfate	O4S	95.95173	http://www.hmdb.ca/metabolites/HMDB01448	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01448	Sulfate	O4S	95.95173	http://www.hmdb.ca/metabolites/HMDB01448	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01448	Sulfate	O4S	95.95173	http://www.hmdb.ca/metabolites/HMDB01448	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01448	Sulfate	O4S	95.95173	http://www.hmdb.ca/metabolites/HMDB01448	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01448	Sulfate	O4S	95.95173	http://www.hmdb.ca/metabolites/HMDB01448	HMDB	NA	NA
+HMDB01448	Sulfate	O4S	95.95173	http://www.hmdb.ca/metabolites/HMDB01448	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01448	Sulfate	O4S	95.95173	HMDB01448	PFEM_hmdb_metabocards_official	NA	NA
+MJ000326	cis-1,2-Dichloroethene 	C2H2Cl2	95.953355	NA	MeJP	NA	NA
+MJ000327	trans-1,2-Dichloroethene 	C2H2Cl2	95.953355	NA	MeJP	NA	NA
+MetaCyc00273	dichloroethene [DCE;cis-1,2-dichloroethene;]	C2H2CL2	95.953355	NA	metacyc	NA	NA
+MetaCyc00274	1,1-DCE [1,1,-dichloroethene;]	C2H2CL2	95.953355	NA	metacyc	NA	NA
+C06791	trans-1,2-Dichloroethene	C2H2Cl2	95.9534	NA	KEGG	NA	NA
+C06792	cis-1,2-Dichloroethene	C2H2Cl2	95.9534	NA	KEGG	NA	NA
+C14039	1,1-Dichloroethylene	C2H2Cl2	95.9534	NA	KEGG	NA	NA
+HMDB00973	Hydrogen phosphate	HO4P	95.96125	http://www.hmdb.ca/metabolites/HMDB00973	HMDB	NA	NA
+HMDB00973	Hydrogen phosphate	HO4P	95.96125	HMDB00973	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00973	Hydrogen phosphate	[HPO4]2-	95.96125	NA	HMDB2010	NA	NA
+C11145	Methanesulfonic acid	CH4SO3	95.9881	NA	KEGG	NA	NA
+MetaCyc00275	methylsulfonate [methanesulfonate;MSA;Methanesulfonic acid;]	C1H4O3S1	95.988115	75-75-2	metacyc	NA	NA
+C07090	Protoanemonin	C5H4O2	96.0211	NA	KEGG	NA	NA
+C14279	Furfural	C5H4O2	96.0211	NA	KEGG	NA	NA
+MJ000328	Protoanemonin 	C5H4O2	96.021129	NA	MeJP	NA	NA
+MJ000329	2-Furancarboxaldehyde 	C5H4O2	96.021129	NA	MeJP	NA	NA
+MJ000330	3-Furancarboxaldehyde 	C5H4O2	96.021129	NA	MeJP	NA	NA
+MJ000331	5-Methylene-2(5H)-furanone 	C5H4O2	96.021129	NA	MeJP	NA	NA
+JH028	Glutaric acid  [M+H-2H2O]+	NA	96.0224	4.25	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH028	Glutaric acid  [M+H-2H2O]+	NA	96.0224	4.25	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH028	Glutaric acid  [M+H-2H2O]+	NA	96.0224	4.25	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH028	Glutaric acid  [M+H-2H2O]+	NA	96.0224	4.25	Inhousejuil11	NA	NA
+C11272	Fluorobenzene	C6H5F	96.0375	NA	KEGG	NA	NA
+MJ000332	Ammonium carbonate 	CH8N2O3	96.053492	NA	MeJP	NA	NA
+C02395	Cyclohex-2-enone	C6H8O	96.0575	NA	KEGG	NA	NA
+C02396	Cytochrome b-562	C6H8O	96.0575	NA	KEGG	NA	NA
+C02397	Cytochrome b-566	C6H8O	96.0575	NA	KEGG	NA	NA
+C02398	Cytochrome c-553	C6H8O	96.0575	NA	KEGG	NA	NA
+C02399	D-Xylosylprotein	C9H14N2O7R2	96.0575	NA	KEGG	NA	NA
+MJ000333	2,4-Hexadienal 	C6H8O	96.057514	NA	MeJP	NA	NA
+MJ000334	2-Ethylfuran 	C6H8O	96.057514	NA	MeJP	NA	NA
+MJ000335	3-Ethylfuran 	C6H8O	96.057514	NA	MeJP	NA	NA
+MetaCyc00276	cyclohex-2-enone [2-Cyclohexen-1-one;]	C6H8O1	96.057515	930-68-7	metacyc	NA	NA
+MJ000336	2,4(5)-Dimethylimidazole 	C5H8N2	96.068748	NA	MeJP	NA	NA
+MJ000337	Bicyclo[4.1.0]heptane 	C7H12	96.0939	NA	MeJP	NA	NA
+MJ000338	Ethylidenecyclopentane 	C7H12	96.0939	NA	MeJP	NA	NA
+MetaCyc00277	KSCN [potassium thiocyanate;]	C1N1S1K1	96.938852	NA	metacyc	NA	NA
+MetaCyc00278	HSO4- []	H1O4S1	96.959554	NA	metacyc	NA	NA
+HMDB02105	Dihydrogen Phosphate	H2O4P	96.96907	http://www.hmdb.ca/metabolites/HMDB02105	HMDB	NA	NA
+MetaCyc00279	phosphate-group []	H2O4P1	96.96907	NA	metacyc	NA	NA
+HMDB02105	Dihydrogen Phosphate	H2O4P	96.96907	HMDB02105	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02105	Dihydrogen phosphate	[H2PO4]-	96.96907	NA	HMDB2010	NA	NA
+MetaCyc00280	phosphoramidate [amidophosphoric acid;phosphoramidic acid;]	H4N1O3P1	96.99288	NA	metacyc	NA	NA
+MetaCyc00281	phosphoramide []	H4N1O3P1	96.99288	NA	metacyc	NA	NA
+C02306	Phosphoramidate	PNH4O3	96.9929	NA	KEGG	NA	NA
+C02307	Phosphorylase a	PNH4O3	96.9929	NA	KEGG	NA	NA
+C02308	Phosphorylase b	PNH4O3	96.9929	NA	KEGG	NA	NA
+C02311	Primary diamine	H4N2	96.9929	NA	KEGG	NA	NA
+MetaCyc00282	maleimide [2,5-pyrroledione;]	C4H3N1O2	97.016378	NA	metacyc	NA	NA
+C07272	Maleimide	C4H3NO2	97.0164	NA	KEGG	NA	NA
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	97.034569	MH2+	Inhouse_peptide	NA	peptide
+CJpos0073	2-aminoadipic acid [(M+H)-(H2O)-(HCOOH)]+	C5H8NO	97.052175	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0074	Gly-pro (glycylproline) [(M+H)-(C2H5NO2)]+	C5H8NO	97.052175	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0073	2-aminoadipic acid [(M+H)-(H2O)-(HCOOH)]+	C5H8NO	97.052175	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0074	Gly-pro (glycylproline) [(M+H)-(C2H5NO2)]+	C5H8NO	97.052175	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000339	3-Hydroxy-4-pentenoic acid, Nitrile 	C5H7NO	97.052763	NA	MeJP	NA	NA
+MJ000340	5,6-Dihydro-2(1H)-pyridinone 	C5H7NO	97.052763	NA	MeJP	NA	NA
+C02026	Deoxycytosine	C4H7N3	97.064	NA	KEGG	NA	NA
+CJpos0075	Stachydrine (Proline betaine) [(M+H)-HCOOH]+	C6H12N	97.088575	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0075	Stachydrine (Proline betaine) [(M+H)-HCOOH]+	C6H12N	97.088575	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00840	Salicyluric acid	C9H9NO4	97.526581	MH2+	Inhouse_peptide	NA	peptide
+C00150	Molybdenum	Mo	97.9054	NA	KEGG	NA	NA
+C00151	L-Amino acid	C2H4NO2R	97.9054	NA	KEGG	NA	NA
+HMDB01302	Molybdenum	Mo	97.90541	http://www.hmdb.ca/metabolites/HMDB01302	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01302	Molybdenum	Mo	97.90541	http://www.hmdb.ca/metabolites/HMDB01302	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01302	Molybdenum	Mo	97.90541	http://www.hmdb.ca/metabolites/HMDB01302	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01302	Molybdenum	Mo	97.90541	http://www.hmdb.ca/metabolites/HMDB01302	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01302	Molybdenum	Mo	97.90541	http://www.hmdb.ca/metabolites/HMDB01302	HMDB	NA	NA
+HMDB01302	Molybdenum	Mo	97.90541	http://www.hmdb.ca/metabolites/HMDB01302	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01302	Molybdenum	Mo	97.90541	HMDB01302	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01302	Molybdenum	[Mo]2+	97.905411	NA	HMDB2010	NA	NA
+MJ000341	Sulfate 	H2O4S	97.967379	NA	MeJP	NA	NA
+MetaCyc00283	H2SO4 [sulfuric acid;]	H2O4S1	97.967379	7664-93-9	metacyc	NA	NA
+C00059	Sulfate	H2SO4	97.9674	NA	KEGG	NA	NA
+C00060	Carboxylate	CO2R	97.9674	NA	KEGG	NA	NA
+C06752	1,2-Dichloroethane	C2H4Cl2	97.969	NA	KEGG	NA	NA
+MJ000342	1,2-Dichloroethane 	C2H4Cl2	97.969005	NA	MeJP	NA	NA
+MetaCyc00284	1,2-dichloroethane []	C2H4CL2	97.969006	NA	metacyc	NA	NA
+MJ000343	Orthophosphate 	H3O4P	97.976895	NA	MeJP	NA	NA
+HMDB02142	Phosphoric acid	H3O4P	97.976898	NA	HMDB2010	NA	NA
+HMDB02142	Phosphoric acid	H3O4P	97.9769	http://www.hmdb.ca/metabolites/HMDB02142	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02142	Phosphoric acid	H3O4P	97.9769	http://www.hmdb.ca/metabolites/HMDB02142	HMDB	NA	NA
+C00009	Orthophosphate	H3PO4	97.9769	NA	KEGG	NA	NA
+HMDB02142	Phosphoric acid	H3O4P	97.9769	http://www.hmdb.ca/metabolites/HMDB02142	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02142	Phosphoric acid	H3O4P	97.9769	HMDB02142	PFEM_hmdb_metabocards_official	NA	NA
+C12554	Potassium acetate	C2H3O2	97.977	NA	KEGG	NA	NA
+C12555	Transferred to D01155	C2H3O2	97.977	NA	KEGG	NA	NA
+C12556	Transferred to D01156	C2H3O2	97.977	NA	KEGG	NA	NA
+CJneg0017	dUMP [(M-H)-(C9H10O4N2)]-	H2O4P	97.977425	C18rt(min)=1.07 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0017	dUMP [(M-H)-(C9H10O4N2)]-	H2O4P	97.977425	C18rt(min)=1.07 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000344	2-Furanmethanol 	C5H6O2	98.036779	NA	MeJP	NA	NA
+MJ000345	3-Furanmethanol 	C5H6O2	98.036779	NA	MeJP	NA	NA
+MJ000346	4-Hydroxy-2-cyclopenten-1-one 	C5H6O2	98.036779	NA	MeJP	NA	NA
+MJ000347	4-Hydroxy-2-methylenebutanoic acid; Lactone 	C5H6O2	98.036779	NA	MeJP	NA	NA
+MJ000348	5-Methyl-2(3H)-furanone 	C5H6O2	98.036779	NA	MeJP	NA	NA
+C05562	Imidazole-4-methanol	C4H6N2O	98.048	NA	KEGG	NA	NA
+MJ000349	Imidazole acetaldehyde 	C4H6N2O	98.048012	NA	MeJP	NA	NA
+MJ000350	5-Imino-2H-pyrrol-2-ol 	C4H6N2O	98.048012	NA	MeJP	NA	NA
+CJpos0076	Hexanoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+	C6H11O	98.072575	C18rt(min)=6.65 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0077	Hexanoylglycine [(M+H)-(C2H5NO2)]+	C6H11N0O	98.072575	C18rt(min)=6.45 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0078	Isovalerylalanine isomer [(M+H)-(C2H5NO2)]+	C6H11N0O	98.072575	C18rt(min)=6.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0079	Hydroxysuberic acid isomer [(M+H)-2(HCOOH)]+	C6H11O	98.072575	C18rt(min)=5.15 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0076	Hexanoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+	C6H11O	98.072575	C18rt(min)=6.65 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0077	Hexanoylglycine [(M+H)-(C2H5NO2)]+	C6H11N0O	98.072575	C18rt(min)=6.45 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0078	Isovalerylalanine isomer [(M+H)-(C2H5NO2)]+	C6H11N0O	98.072575	C18rt(min)=6.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0079	Hydroxysuberic acid isomer [(M+H)-2(HCOOH)]+	C6H11O	98.072575	C18rt(min)=5.15 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03315	Cyclohexanone	C6H10O	98.07316	http://www.hmdb.ca/metabolites/HMDB03315	HMDB	NA	NA
+HMDB03315	Cyclohexanone	C6H10O	98.07316	HMDB03315	PFEM_hmdb_metabocards_official	NA	NA
+MJ000351	Cyclohexanone 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000352	1-Hexyn-3-ol 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000353	2,4-Hexadien-1-ol 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000354	2-Hexenal 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000355	2-Methyl-2-pentenal 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000356	2-Methyl-4-pentenal 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000357	3-Hexenal 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000358	3-Methyl-1-pentyn-3-ol 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000359	4-Methyl-3-penten-2-one 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000360	5-Hexen-2-one 	C6H10O	98.073164	NA	MeJP	NA	NA
+MJ000361	Cyclohexanone 	C6H10O	98.073164	NA	MeJP	NA	NA
+MetaCyc00285	trans-2-hexenal []	C6H10O1	98.073165	6728-26-3	metacyc	NA	NA
+MetaCyc00286	cis-3-hexenal []	C6H10O1	98.073165	6789-80-6	metacyc	NA	NA
+MetaCyc00287	cyclohexanone []	C6H10O1	98.073165	108-94-1	metacyc	NA	NA
+HMDB03315	Cyclohexanone	C6H10O	98.073166	NA	HMDB2010	NA	NA
+C00414	Cyclohexanone	C6H10O	98.0732	NA	KEGG	NA	NA
+C08497	Leaf aldehyde	C6H10O	98.0732	NA	KEGG	NA	NA
+C16310	3-Hexenal	C6H10O	98.0732	NA	KEGG	NA	NA
+MJ000362	2-Iminopiperidine 	C5H10N2	98.084398	NA	MeJP	NA	NA
+MJ000363	4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole 	C5H10N2	98.084398	NA	MeJP	NA	NA
+HMDB03966	Selenomethionine	C5H11NO2Se	98.4977495	MH2+	Inhouse_peptide	NA	peptide
+HMDB00609	DL-Dopa	C9H11NO4	98.534401	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00288	vanadate []	O3V1	98.928708	NA	metacyc	NA	NA
+HMDB05843	Allyl isothiocyanate	C4H5NS	99.014267	NA	HMDB2010	NA	NA
+MJ000364	3-Isothiocyanato-1-propene 	C4H5NS	99.014269	NA	MeJP	NA	NA
+MJ000365	3-Thiocyanato-1-propene 	C4H5NS	99.014269	NA	MeJP	NA	NA
+MJ000366	Thiiraneacetic acid; Nitrile 	C4H5NS	99.014269	NA	MeJP	NA	NA
+HMDB05843	Allyl isothiocyanate	C4H5NS	99.01427	http://www.hmdb.ca/metabolites/HMDB05843	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05843	Allyl isothiocyanate	C4H5NS	99.01427	http://www.hmdb.ca/metabolites/HMDB05843	HMDB	NA	NA
+HMDB05843	Allyl isothiocyanate	C4H5NS	99.01427	http://www.hmdb.ca/metabolites/HMDB05843	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05843	Allyl isothiocyanate	C4H5NS	99.01427	HMDB05843	PFEM_hmdb_metabocards_official	NA	NA
+C07273	Succinimide	C4H5NO2	99.032	NA	KEGG	NA	NA
+C11103	Hymexazol	C4H5NO2	99.032	NA	KEGG	NA	NA
+MJ000367	1,3-Dihydro-3-hydroxy-2H-pyrrol-2-one 	C4H5NO2	99.032028	NA	MeJP	NA	NA
+MJ000368	1,5-Dihydro-5-hydroxy-2H-pyrrol-2-one 	C4H5NO2	99.032028	NA	MeJP	NA	NA
+MJ000369	2-Amino-3-butynoic acid 	C4H5NO2	99.032028	NA	MeJP	NA	NA
+MJ000370	3-Methyl-2H-azirine-2-carboxylic acid 	C4H5NO2	99.032028	NA	MeJP	NA	NA
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR270	5hydroxymethyluracil F3	NA	99.032175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR270	5hydroxymethyluracil F3	NA	99.032175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR270	5hydroxymethyluracil F3	NA	99.032175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR270	5hydroxyméthyluracil F3	F3	99.032175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR270	5hydroxymethyluracil F3	NA	99.032175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR270	5hydroxymethyluracil F3	F3	99.032175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0080	Guanidoacetic acid (and isomer) [(M+H)-(H2O)]+	C3H6N3O	99.042675	C18rt(min)=0.9 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0080	Guanidoacetic acid (and isomer) [(M+H)-(H2O)]+	C3H6N3O	99.042675	C18rt(min)=0.9 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000371	Cyanoacetohydrazide 	C3H5N3O	99.043261	NA	MeJP	NA	NA
+MJ000372	1,2,4-Triazole-3,5-diamine 	C2H5N5	99.054495	NA	MeJP	NA	NA
+CJpos0081	Methyl (hydroxymethyl)pyrrolidine-carboxylate Methyl (hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+	C5H10NO	99.067875	C18rt(min)=4.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0082	4-Acetamidobutanoic acid isomer [(M+H)-(HCOOH)]+	C5H10NO	99.067875	C18rt(min)=1.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0083	Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+	C5H10NO	99.067875	C18rt(min)=4.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0084	Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+	C5H10NO	99.067875	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0085	Valine Betaine [(M+H)-(H2O)]+	C5H10NO	99.067875	C18rt(min)=1.03 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0081	Methyl (hydroxymethyl)pyrrolidine-carboxylate § Methyl (hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+	C5H10NO	99.067875	C18rt(min)=4.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0082	4-Acetamidobutanoic acid isomer [(M+H)-(HCOOH)]+	C5H10NO	99.067875	C18rt(min)=1.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0083	Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+	C5H10NO	99.067875	C18rt(min)=4.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0084	Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+	C5H10NO	99.067875	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0085	Valine § Betaine [(M+H)-(H2O)]+	C5H10NO	99.067875	C18rt(min)=1.03 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11118	N-Methyl-2-pyrrolidinone	C5H9NO	99.0684	NA	KEGG	NA	NA
+HMDB11749	2-Piperidinone	C5H9NO	99.068413	NA	HMDB2010	NA	NA
+MJ000373	1-Methyl-2-pyrrolidinone 	C5H9NO	99.068413	NA	MeJP	NA	NA
+MJ000374	2-Methyl-2-butenoic acid, Amide 	C5H9NO	99.068413	NA	MeJP	NA	NA
+MJ000375	4-Piperidinone 	C5H9NO	99.068413	NA	MeJP	NA	NA
+MJ000376	1-Methylpiperidine 	C6H13N	99.104799	NA	MeJP	NA	NA
+MetaCyc00289	cyclohexylamine [Cyclohexanamine;]	C6H13N1	99.104799	108-91-8	metacyc	NA	NA
+C00571	Cyclohexylamine	C6H13N	99.1048	NA	KEGG	NA	NA
+C00572	Divalent cation	C6H13N	99.1048	NA	KEGG	NA	NA
+C00573	Keratan sulfate	C6H13N	99.1048	NA	KEGG	NA	NA
+C00574	beta-D-Fucoside	C6H11O5R	99.1048	NA	KEGG	NA	NA
+C08129	Calcium carbonate	CO3	99.9473	NA	KEGG	NA	NA
+MJ000377	Calcium carbonate 	CCaO3	99.947335	NA	MeJP	NA	NA
+MJ000378	1-Chloro-1,1-difluoroethane 	C2H3ClF2	99.989134	NA	MeJP	NA	NA
+MJ000379	2-Chloro-1,1-difluoroethane 	C2H3ClF2	99.989134	NA	MeJP	NA	NA
+MJ000380	2-Aminothiazole 	C3H4N2S	100.009518	NA	MeJP	NA	NA
+MetaCyc00290	2-oxobut-3-enanoate []	C4H4O3	100.016044	NA	metacyc	NA	NA
+CJpos0086	Guanidoacetic acid (and isomer) [(M+H)-(NH3)]+	C3H5N2O2	100.026775	C18rt(min)=0.9 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0086	Guanidoacetic acid (and isomer) [(M+H)-(NH3)]+	C3H5N2O2	100.026775	C18rt(min)=0.9 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C05146	Hydantoin	C3H4N2O2	100.0273	NA	KEGG	NA	NA
+CJpos0087	2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)-(H2O)]+	C5H9O2	100.051875	C18rt(min)=4.58 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0088	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)-(H2O)]+	C5H9O2	100.051875	C18rt(min)=4.06 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0089	Mevalonic acid isomer [(M+H)-(CH2O)-(H2O)]+	C5H9O2	100.051875	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0090	6-Aminocaproic acid [(M+H)-(CH5N)]+	C5H9N0O2	100.051875	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0091	Valine Betaine [(M+H)-(NH3)]+	C5H9N0O2	100.051875	C18rt(min)=1.03 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0087	2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)-(H2O)]+	C5H9O2	100.051875	C18rt(min)=4.58 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0088	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)-(H2O)]+	C5H9O2	100.051875	C18rt(min)=4.06 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0089	Mevalonic acid isomer [(M+H)-(CH2O)-(H2O)]+	C5H9O2	100.051875	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0090	6-Aminocaproic acid [(M+H)-(CH5N)]+	C5H9N0O2	100.051875	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0091	Valine § Betaine [(M+H)-(NH3)]+	C5H9N0O2	100.051875	C18rt(min)=1.03 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02240	5-Valerolactone	C5H8O2	100.0524	NA	KEGG	NA	NA
+C08279	Tiglic acid	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12518	Glutaral	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12519	Transferred to D01121	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12520	Transferred to D01122	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12521	Transferred to D01123	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12522	Transferred to D01124	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12523	Transferred to D01125	C5H8O2	100.0524	NA	KEGG	NA	NA
+C12524	Transferred to D01126	C5H8O2	100.0524	NA	KEGG	NA	NA
+C14527	Methyl methacrylate	C5H8O2	100.0524	NA	KEGG	NA	NA
+C15499	Pentane-2,4-dione	C5H8O2	100.0524	NA	KEGG	NA	NA
+HMDB00509	Senecioic acid	C5H8O2	100.052429	NA	HMDB2010	NA	NA
+HMDB01470	Tiglic acid	C5H8O2	100.052429	NA	HMDB2010	NA	NA
+HMDB01862	2-Ethylacrylic acid	C5H8O2	100.052429	NA	HMDB2010	NA	NA
+HMDB02167	3-Methylbutyrolactone	C5H8O2	100.052429	NA	HMDB2010	NA	NA
+MJ000381	2,4-Pentanedione 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000382	2-Hydroxy-2-methylcyclobutanone 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000383	2-Methyl-2-butenoic acid 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000384	3-Methyl-2-butenoic acid 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000385	Dihydro-2-methyl-3(2H)-furanone 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000386	Dihydro-3-methyl-2(3H)-furanone 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000387	Dihydro-5-methyl-2(3H)-furanone 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000388	Pentanedial 	C5H8O2	100.052429	NA	MeJP	NA	NA
+MJ000389	Tetrahydro-2H-pyran-2-one 	C5H8O2	100.052429	NA	MeJP	NA	NA
+HMDB00509	Senecioic acid	C5H8O2	100.05243	http://www.hmdb.ca/metabolites/HMDB00509	HMDB	NA	NA
+HMDB01470	Tiglic acid	C5H8O2	100.05243	http://www.hmdb.ca/metabolites/HMDB01470	HMDB	NA	NA
+HMDB01862	2-Ethylacrylic acid	C5H8O2	100.05243	http://www.hmdb.ca/metabolites/HMDB01862	HMDB	NA	NA
+HMDB02167	3-Methylbutyrolactone	C5H8O2	100.05243	http://www.hmdb.ca/metabolites/HMDB02167	HMDB	NA	NA
+MetaCyc00291	3-methyl-4-trans-hydroxy-2-butenal []	C5H8O2	100.05243	NA	metacyc	NA	NA
+MetaCyc00292	3-methyl-4-cis-hydroxy-2-butenal []	C5H8O2	100.05243	NA	metacyc	NA	NA
+MetaCyc00293	5-valerolactone []	C5H8O2	100.05243	542-28-9	metacyc	NA	NA
+MetaCyc00294	tiglate [tiglic acid;]	C5H8O2	100.05243	NA	metacyc	NA	NA
+HMDB00509	Senecioic acid	C5H8O2	100.05243	HMDB00509	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01470	Tiglic acid	C5H8O2	100.05243	HMDB01470	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01862	2-Ethylacrylic acid	C5H8O2	100.05243	HMDB01862	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02167	3-Methylbutyrolactone	C5H8O2	100.05243	HMDB02167	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0018	(2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)-(H2O)]-	C5H7O2	100.053025	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0018	(2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)-(H2O)]-	C5H7O2	100.053025	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0092	Dihydrothymine isomer [(M+H)-(CO)]+	C4H9N2O	100.063075	C18rt(min)=5.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0092	Dihydrothymine isomer [(M+H)-(CO)]+	C4H9N2O	100.063075	C18rt(min)=5.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000390	Gyromitrin 	C4H8N2O	100.063662	NA	MeJP	NA	NA
+C08305	Gyromitrin	C4H8N2O	100.0637	NA	KEGG	NA	NA
+CJpos0093	Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=4.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0094	methyl(hydroxymethyl)pyrrolidine-carboxylate methyl(hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=4.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0095	Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0096	N-Acetylputrescine (and isomer) [(M+H)-(CH5N)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0093	Glu-Val [(M+H)-(C5H7O3N)-(H2O)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=4.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0094	methyl(hydroxymethyl)pyrrolidine-carboxylate § methyl(hydroxy)piperidine-carboxylate [(M+H)-(C2H4O2)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=4.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0095	Gly-pro (glycylproline) [(M+H)-(C2H3NO2)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0096	N-Acetylputrescine (and isomer) [(M+H)-(CH5N)]+ (13C)	C413CH10NO	100.071175	C18rt(min)=1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00854	Cyclohexanol	C6H12O	100.0888	NA	KEGG	NA	NA
+C02373	4-Methylpentanal	C6H12O	100.0888	NA	KEGG	NA	NA
+C02374	5'-Dephospho-DNA	C10H17O8PR2	100.0888	NA	KEGG	NA	NA
+C02893	Unsaturated alcohol	C6H12O	100.0888	NA	KEGG	NA	NA
+C08492	Leaf alcohol	C6H12O	100.0888	NA	KEGG	NA	NA
+HMDB00753	3-Hexanone	C6H12O	100.08881	http://www.hmdb.ca/metabolites/HMDB00753	HMDB	NA	NA
+HMDB01318	4-Methylpentanal	C6H12O	100.08881	http://www.hmdb.ca/metabolites/HMDB01318	HMDB	NA	NA
+HMDB02939	Methyl isobutyl ketone	C6H12O	100.08881	http://www.hmdb.ca/metabolites/HMDB02939	HMDB	NA	NA
+HMDB05842	2-Oxohexane	C6H12O	100.08881	http://www.hmdb.ca/metabolites/HMDB05842	HMDB	NA	NA
+HMDB05846	Isopropyl ethyl ketone	C6H12O	100.08881	http://www.hmdb.ca/metabolites/HMDB05846	HMDB	NA	NA
+HMDB05994	Hexanal	C6H12O	100.08881	http://www.hmdb.ca/metabolites/HMDB05994	HMDB	NA	NA
+HMDB00753	3-Hexanone	C6H12O	100.08881	HMDB00753	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01318	4-Methylpentanal	C6H12O	100.08881	HMDB01318	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02939	Methyl isobutyl ketone	C6H12O	100.08881	HMDB02939	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05842	2-Oxohexane	C6H12O	100.08881	HMDB05842	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05846	Isopropyl ethyl ketone	C6H12O	100.08881	HMDB05846	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05994	Hexanal	C6H12O	100.08881	HMDB05994	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00753	3-Hexanone	C6H12O	100.088814	NA	HMDB2010	NA	NA
+HMDB01318	4-Methylpentanal	C6H12O	100.088814	NA	HMDB2010	NA	NA
+HMDB02939	Methyl isobutyl ketone	C6H12O	100.088814	NA	HMDB2010	NA	NA
+HMDB05842	2-Oxohexane	C6H12O	100.088814	NA	HMDB2010	NA	NA
+HMDB05846	Ethyl isopropyl ketone	C6H12O	100.088814	NA	HMDB2010	NA	NA
+HMDB05994	Hexanal	C6H12O	100.088814	NA	HMDB2010	NA	NA
+MJ000391	4-Methylpentanal 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000392	Cyclohexanol 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000393	1-Hexen-3-ol 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000394	2-Ethylbutanal 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000395	2-Hexanone 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000396	2-Hexen-1-ol 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000397	3-Hexen-1-ol 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000398	4-Hexen-1-ol 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000399	4-Methyl-2-pentanone 	C6H12O	100.088815	NA	MeJP	NA	NA
+MJ000400	Hexanal 	C6H12O	100.088815	NA	MeJP	NA	NA
+MetaCyc00295	hexanal []	C6H12O1	100.088815	66-25-1	metacyc	NA	NA
+MetaCyc00296	cyclohexanol [tramadol;cyclohexyl-alcohol;]	C6H12O1	100.088815	108-93-0	metacyc	NA	NA
+MetaCyc00297	4-methylpentanal [isocaproaldehyde;isohexanal;]	C6H12O1	100.088815	1119-16-0	metacyc	NA	NA
+MetaCyc00298	trans-2-hexenol []	C6H12O1	100.088815	NA	metacyc	NA	NA
+MetaCyc00299	cis-3-hexenol []	C6H12O1	100.088815	928-96-1	metacyc	NA	NA
+MJ000401	Heptane 	C7H16	100.1252	NA	MeJP	NA	NA
+MJ000402	2-Methylhexane 	C7H16	100.1252	NA	MeJP	NA	NA
+MJ000403	Potassium nitrate (KNO3) 	KNO3	100.951524	NA	MeJP	NA	NA
+MJ000404	1,3,4-Thiadiazol-2-amine 	C2H3N3S	101.004767	NA	MeJP	NA	NA
+MJ000405	2-Isothiocyanatopropane 	C4H7NS	101.029919	NA	MeJP	NA	NA
+MJ000406	4,5-Dihydro-2-methylthiazole 	C4H7NS	101.029919	NA	MeJP	NA	NA
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR224	Threonine F2	NA	101.046375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR224	Threonine F2	NA	101.046375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR224	Threonine F2	NA	101.046375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR224	Thréonin F2	F2	101.046375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR224	Threonine F2	NA	101.046375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR224	Threonin F2	F2	101.046375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR221	Acide Glutamique F3	NA	101.047175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR221	Acide Glutamique F3	NA	101.047175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR221	Acide Glutamique F3	NA	101.047175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR221	Acide Glutamique F3	NA	101.047175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR221	Glutamic acid F3	F3	101.047175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ000407	1-Aminocyclopropanecarboxylic acid 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000408	2-(Aminomethyl)-2-propenoic acid 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000409	2-Amino-2-butenoic acid 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000410	2-Amino-3-butenoic acid 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000411	2-Azetidinecarboxylic acid 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000412	3-Aminodihydro-2(3H)-furanone 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000413	4-Hydroxy-2-pyrrolidinone 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000414	5-Hydroxy-2-pyrrolidinone 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MJ000415	1-Aminocyclopropane-1-carboxylate 	C4H7NO2	101.047678	NA	MeJP	NA	NA
+MetaCyc00300	1-aminocyclopropane-1-carboxylate [1-Aminocyclopropane-1-carboxylic acid;]	C4H7N1O2	101.047678	22059-21-8	metacyc	NA	NA
+MetaCyc00301	2-aminobutan-4-olide []	C4H7N1O2	101.047678	NA	metacyc	NA	NA
+MetaCyc00302	homoserine lactone [2(3H)-furanone, 3-aminodihydro-;]	C4H7N1O2	101.047678	NA	metacyc	NA	NA
+C01234	1-Aminocyclopropane-1-carboxylate	C4H7NO2	101.0477	NA	KEGG	NA	NA
+C02926	2-Aminobutan-4-olide	C4H7NO2	101.0477	NA	KEGG	NA	NA
+C07509	Diacetylmonoxime	C4H7NO2	101.0477	NA	KEGG	NA	NA
+C08267	L-Azetidine 2-carboxylic acid	C4H7NO2	101.0477	NA	KEGG	NA	NA
+C11106	Acetoacetamide	C4H7NO2	101.0477	NA	KEGG	NA	NA
+C17234	2-Aminobut-2-enoate	C4H7NO2	101.0477	NA	KEGG	NA	NA
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR293	Methionine F4	NA	101.048775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR293	Methionine F4	NA	101.048775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR293	Methionine F4	NA	101.048775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR293	Methionine F4	F4	101.048775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR293	Methionine F4	NA	101.048775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR293	Methionine F4	F4	101.048775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+3175	dipeptidyl-aminopeptidase IV inhibitor	LA	101.0605	MH2+	Inhouse_peptide	NA	peptide
+4006	Ubiqitin-mediated proteolysis activating peptide	LA	101.0605	MH2+	Inhouse_peptide	NA	peptide
+7562	ACE inhibitor from soy hydrolysate	IA	101.0605	MH2+	Inhouse_peptide	NA	peptide
+7585	ACE inhibitor	LA	101.0605	MH2+	Inhouse_peptide	NA	peptide
+8193	ACE inhibitor	AI	101.0605	MH2+	Inhouse_peptide	NA	peptide
+C07672	Biguanide	C2H7N5	101.0701	NA	KEGG	NA	NA
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	101.0714875	MH2+	Inhouse_peptide	NA	peptide
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	101.0714875	MH2+	Inhouse_peptide	NA	peptide
+CJpos0097	N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+	C5H12NO	101.083475	C18rt(min)=1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0097	N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+	C5H12NO	101.083475	C18rt(min)=1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000416	3-Methylbutanoic acid; Amide 	C5H11NO	101.084063	NA	MeJP	NA	NA
+MJ000417	N-(2-Hydroxyethyl)aziridine; N-Me 	C5H12NO(+)	101.084064	NA	MeJP	NA	NA
+MetaCyc00303	pentanamide [Valeramide;]	C5H11N1O1	101.084064	626-97-1	metacyc	NA	NA
+MetaCyc00304	2-methylpropanal O-methyloxime []	C5H11N1O1	101.084064	NA	metacyc	NA	NA
+C01842	Pentanamide	C5H11NO	101.0841	NA	KEGG	NA	NA
+C01843	Polyproline	C10H16N2O3	101.0841	NA	KEGG	NA	NA
+C03982	2-Methylpropanal O-methyloxime	C5H11NO	101.0841	NA	KEGG	NA	NA
+C03983	3'-Hydroxyloligoribonucleotide	C10H17O10PR2	101.0841	NA	KEGG	NA	NA
+C10974	4-Methylaminobutanal	C5H11NO	101.0841	NA	KEGG	NA	NA
+C12455	5-Aminopentanal	C5H11NO	101.0841	NA	KEGG	NA	NA
+C17255	3-Methylbutyraldehyde oxime	C5H11NO	101.0841	NA	KEGG	NA	NA
+MJ000418	Trihydro(morpholine-N4)boron 	C4H12BNO	101.101194	NA	MeJP	NA	NA
+CJpos0098	Spermine [(M+2H)]++	C10H28N4	101.107275	C18rt(min)=0.69 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0098	Spermine [(M+2H)]++	C10H28N4	101.107275	C18rt(min)=0.69 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C08306	Hexylamine	C6H15N	101.1204	NA	KEGG	NA	NA
+C14691	Triethylamine	C6H15N	101.1204	NA	KEGG	NA	NA
+MJ000419	1-Hexylamine 	C6H15N	101.120449	NA	MeJP	NA	NA
+MJ000420	3-Methyl-1-butylamine; N-Me 	C6H15N	101.120449	NA	MeJP	NA	NA
+MetaCyc00305	triethylamine []	C6H15N1	101.120449	121-44-8	metacyc	NA	NA
+2890	neuropeptide inhibitor	GQ	101.5395	MH2+	Inhouse_peptide	NA	peptide
+7610	ACE inhibitor	GQ	101.5395	MH2+	Inhouse_peptide	NA	peptide
+7617	ACE inhibitor	QG	101.5395	MH2+	Inhouse_peptide	NA	peptide
+7604	ACE inhibitor	KG	101.5575	MH2+	Inhouse_peptide	NA	peptide
+7611	ACE inhibitor	GK	101.5575	MH2+	Inhouse_peptide	NA	peptide
+HMDB00201	L-Acetylcarnitine	C9H17NO4	101.5578765	MH2+	Inhouse_peptide	NA	peptide
+CJpos0099	Spermine [(M+2H)]++ (13C)	C913CH28N4	101.608975	C18rt(min)=0.69 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0099	Spermine [(M+2H)]++ (13C)	C913CH28N4	101.608975	C18rt(min)=0.69 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000421	Sodium bromide (NaBr) 	BrNa	101.908107	NA	MeJP	NA	NA
+C13515	Rubidium hydroxide	RbHO	101.9145	NA	KEGG	NA	NA
+C13516	Transferred to D02014	RbHO	101.9145	NA	KEGG	NA	NA
+C13517	Transferred to D02015	RbHO	101.9145	NA	KEGG	NA	NA
+C13518	Transferred to D02016	RbHO	101.9145	NA	KEGG	NA	NA
+C13519	Transferred to D02017	RbHO	101.9145	NA	KEGG	NA	NA
+C13520	Transferred to D02018	RbHO	101.9145	NA	KEGG	NA	NA
+MJ000422	Dichlorofluoromethane 	CHCl2F	101.943933	NA	MeJP	NA	NA
+MetaCyc00306	ketopyruvate [pyr;]	C3H2O4	101.995309	NA	metacyc	NA	NA
+HMDB03015	Malonate	C3H2O4	101.99531	http://www.hmdb.ca/metabolites/HMDB03015	HMDB	NA	NA
+HMDB03015	Malonate	C3H2O4	101.99531	HMDB03015	PFEM_hmdb_metabocards_official	NA	NA
+MJ000423	1,1,1,2-Tetrafluoroethane 	C2H2F4	102.009262	NA	MeJP	NA	NA
+C14398	Ethylenethiourea	C3H6N2S	102.0252	NA	KEGG	NA	NA
+CJpos0100	Carnitine (and isomer) [(M+H)-(NC3H9)]+	C4H7N0O3	102.031175	C18rt(min)=0.95 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0100	Carnitine (and isomer) [(M+H)-(NC3H9)]+	C4H7N0O3	102.031175	C18rt(min)=0.95 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+7615	ACE inhibitor	GE	102.0315	MH2+	Inhouse_peptide	NA	peptide
+7622	ACE inhibitor	EG	102.0315	MH2+	Inhouse_peptide	NA	peptide
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00005	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00060	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00005	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00060	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00005	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00060	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00005	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00060	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00005	HMDB	NA	NA
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00060	HMDB	NA	NA
+HMDB01172	2-Methyl-3-oxopropanoic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB01172	HMDB	NA	NA
+HMDB01259	Succinic acid semialdehyde	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB01259	HMDB	NA	NA
+HMDB02217	S-Methylmalonic acid semialdehyde	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB02217	HMDB	NA	NA
+HMDB03381	4-Hydroxycrotonic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB03381	HMDB	NA	NA
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00005	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	http://www.hmdb.ca/metabolites/HMDB00060	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.03169	HMDB00005	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00060	Acetoacetic acid	C4H6O3	102.03169	HMDB00060	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01172	2-Methyl-3-oxopropanoic acid	C4H6O3	102.03169	HMDB01172	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01259	Succinic acid semialdehyde	C4H6O3	102.03169	HMDB01259	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02217	S-Methylmalonic acid semialdehyde	C4H6O3	102.03169	HMDB02217	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03381	4-Hydroxycrotonic acid	C4H6O3	102.03169	HMDB03381	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00005	2-Ketobutyric acid	C4H6O3	102.031693	NA	HMDB2010	NA	NA
+HMDB00060	Acetoacetic acid	C4H6O3	102.031693	NA	HMDB2010	NA	NA
+HMDB01172	2-Methyl-3-oxopropanoic acid	C4H6O3	102.031693	NA	HMDB2010	NA	NA
+HMDB01259	Succinic acid semialdehyde	C4H6O3	102.031693	NA	HMDB2010	NA	NA
+HMDB02217	(S)-Methylmalonic acid semialdehyde	C4H6O3	102.031693	NA	HMDB2010	NA	NA
+HMDB03381	4-Hydroxycrotonic acid	C4H6O3	102.031693	NA	HMDB2010	NA	NA
+MJ000424	2-Oxobutanoic acid 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000425	4-Hydroxy-2-oxobutanal 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000426	4-Methyl-1,3-dioxolan-2-one 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000427	4-Oxobutanoic acid 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000428	Dihydro-4-hydroxy-2(3H)-furanone 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000429	(S)-Methylmalonate semialdehyde 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000430	2-Oxobutanoate 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000431	Acetoacetate 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MJ000432	Succinate semialdehyde 	C4H6O3	102.031694	NA	MeJP	NA	NA
+MetaCyc00307	succinate semialdehyde [succinyl semialdehyde;succ-S-ald;succinic semialdehyde;]	C4H6O3	102.031694	692-29-5	metacyc	NA	NA
+MetaCyc00308	methylmalonate-semialdehyde [2-methyl-3-oxopropanoate;CH3-malonate-S-ald;ch3-malonate-semialdehyde;]	C4H6O3	102.031694	08/04/6236	metacyc	NA	NA
+MetaCyc00309	acetoacetate [3-ketobutyrate;3-oxobutanate;oxobutyrate;acetoacetic acid;3-oxobutyric acid;3-oxobutanoic acid;diacetic acid;&beta;-ketobutyric acid;]	C4H6O3	102.031694	541-50-4	metacyc	NA	NA
+MetaCyc00310	2-oxobutanoate [2-oxobutyrate;2-ketobutyrate;2-oxobutyric acid;&alpha;-oxobutyric acid;&alpha;-ketobutyrate;&alpha;-ketobutyric acid;2-oxo-butyrate;2-keto-butyrate;2-ketobutyric acid;]	C4H6O3	102.031694	600-18-0	metacyc	NA	NA
+MetaCyc00311	methyl pyruvate [propanoic acid, 2-oxo-, methyl ester;pyruvic acid methylester;]	C4H6O3	102.031694	600-22-6	metacyc	NA	NA
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	HMDB	NA	NA
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	Inhouse_PFEM	NA	NA
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR200	2-Ketobutyric acid	C4H6O3	102.031695	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR200	2-Ketobutyric acid	C4H6O3	102.0317	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR200	2-Ketobutyric acid	C4H6O3	102.0317	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR200	2-Ketobutyric acid	C4H6O3	102.0317	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR200	2-Ketobutyric acid	C4H6O3	102.0317	Wishlist	Inhousejuil11	NA	NA
+C00109	2-Oxobutanoate	C4H6O3	102.0317	NA	KEGG	NA	NA
+C00110	Dolichyl phosphate	C20H37O4P	102.0317	NA	KEGG	NA	NA
+C00164	Acetoacetate	C4H6O3	102.0317	NA	KEGG	NA	NA
+C00165	Diacylglycerol	C5H6O5R2	102.0317	NA	KEGG	NA	NA
+C00232	Succinate semialdehyde	C4H6O3	102.0317	NA	KEGG	NA	NA
+C00349	2-Methyl-3-oxopropanoate	C4H6O3	102.0317	NA	KEGG	NA	NA
+C00350	Phosphatidylethanolamine	C7H12NO8PR2	102.0317	NA	KEGG	NA	NA
+C00351	5'-Phosphooligonucleotide	C10H19O14P3R2	102.0317	NA	KEGG	NA	NA
+C06002	(S)-Methylmalonate semialdehyde	C4H6O3	102.0317	NA	KEGG	NA	NA
+C06005	(S)-3-Hydroxy-3-methyl-2-oxopentanoate	C4H6O3	102.0317	NA	KEGG	NA	NA
+7606	ACE inhibitor	DA	102.03195	MH2+	Inhouse_peptide	NA	peptide
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR237	Carnitine F2	NA	102.031975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR237	Carnitine F2	NA	102.031975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR237	Carnitine F2	NA	102.031975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR237	Carnitine F2	NA	102.031975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR237	Carnitine F2	F2	102.031975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0019	?-Ketoglutaric acid [(M-H)-(CO2)]-	C4H5O3	102.032225	C18rt(min)=1.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0019	?-Ketoglutaric acid [(M-H)-(CO2)]-	C4H5O3	102.032225	C18rt(min)=1.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02718	N-Formiminoglycine	C3H6N2O2	102.0429	NA	KEGG	NA	NA
+C06682	DL-Cycloserine	C3H6N2O2	102.0429	NA	KEGG	NA	NA
+C08057	Cycloserine	C3H6N2O2	102.0429	NA	KEGG	NA	NA
+C08058	Transferred to D00878	C3H6N2O2	102.0429	NA	KEGG	NA	NA
+MJ000433	N-Formiminoglycine 	C3H6N2O2	102.042927	NA	MeJP	NA	NA
+MJ000434	4-Amino-3-isoxazolidinone 	C3H6N2O2	102.042927	NA	MeJP	NA	NA
+MJ000435	N-(Iminomethyl)glycine 	C3H6N2O2	102.042927	NA	MeJP	NA	NA
+MetaCyc00312	L-cycloserine [L-4-amino-3-isoxazolidinone;L-4-amino-3-isoxazolidone;]	C3H6N2O2	102.042927	NA	metacyc	NA	NA
+MetaCyc00313	D-cycloserine [D-4-amino-3-isoxazolidinone;D-4-amino-3-isoxazolidone;orientomycin;Seromycin;]	C3H6N2O2	102.042927	68-41-7	metacyc	NA	NA
+MetaCyc00314	N-formimino-glycine [formimino-glycine;formimino-gly;]	C3H6N2O2	102.042927	03/06/2140	metacyc	NA	NA
+HMDB00929	L-Tryptophan	C11H12N2O2	102.044937	MH2+	Inhouse_peptide	NA	peptide
+JH063	Phenylalanine [M+H-HCOOH-NH3]+	NA	102.0462	1.66	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH063	Phenylalanine [M+H-HCOOH-NH3]+	NA	102.0462	1.66	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH063	Phenylalanine [M+H-HCOOH-NH3]+	NA	102.0462	1.66	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH063	Phenylalanine [M+H-HCOOH-NH3]+	NA	102.0462	1.66	Inhousejuil11	NA	NA
+MJ000436	2,2-Dimethylthietane 	C5H10S	102.050321	NA	MeJP	NA	NA
+MJ000437	2,3-Dimethylthietane 	C5H10S	102.050321	NA	MeJP	NA	NA
+MJ000438	3-Methyl-2-butene-1-thiol 	C5H10S	102.050321	NA	MeJP	NA	NA
+HMDB06284	L-3-Amino-isobutanoate	C4H8NO2	102.0555	http://www.hmdb.ca/metabolites/HMDB06284	HMDB	NA	NA
+HMDB06284	L-3-Amino-isobutanoate	C4H8NO2	102.0555	HMDB06284	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0101	Valeric acid isomer [(M+H)]+	C5H11O2	102.067575	C18rt(min)=5.14 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0102	(2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+	C5H11O2	102.067575	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0103	(2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+	C5H11O2	102.067575	C18rt(min)=4.75 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0104	Mevalonic acid isomer [(M+H)-(HCOOH)]+	C5H11O2	102.067575	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0101	Valeric acid isomer [(M+H)]+	C5H11O2	102.067575	C18rt(min)=5.14 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0102	(2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+	C5H11O2	102.067575	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0103	(2-methoxyethoxy)propanoic acid [(M+H)-(HCOOH)]+	C5H11O2	102.067575	C18rt(min)=4.75 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0104	Mevalonic acid isomer [(M+H)-(HCOOH)]+	C5H11O2	102.067575	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER042	Valeric	NA	102.068077	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER044	isovaleric	pas vu	102.068077	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER042	Valeric	NA	102.068077	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER044	isovaleric	pas vu	102.068077	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER042	Valeric	NA	102.068077	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER044	isovaleric	pas vu	102.068077	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER042	Valeric	NA	102.068077	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER044	isovaleric	pas vu	102.068077	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER042	Valeric	NA	102.068077	NA	HMDB	NA	NA
+LABER044	isovaleric	pas vu	102.068077	NA	HMDB	NA	NA
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	HMDB	NA	NA
+HMDB00718	Isovaleric acid	C5H10O2	102.068077	NA	HMDB2010	NA	NA
+HMDB00892	Valeric acid	C5H10O2	102.068077	NA	HMDB2010	NA	NA
+HMDB02176	Ethylmethylacetic acid	C5H10O2	102.068077	NA	HMDB2010	NA	NA
+LABER042	Valeric	NA	102.068077	NA	Inhouse_PFEM	NA	NA
+LABER044	isovaleric	pas vu	102.068077	NA	Inhouse_PFEM	NA	NA
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	Inhouse_PFEM	NA	NA
+LABER042	Valeric	NA	102.068077	NA	Inhousejuil11	NA	NA
+LABER044	isovaleric	pas vu	102.068077	NA	Inhousejuil11	NA	NA
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	Inhousejuil11	NA	NA
+LABER042	Valeric	NA	102.068077	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER044	isovaleric	pas vu	102.068077	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER042	Valeric	NA	102.068077	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER044	isovaleric	pas vu	102.068077	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER048	2-methyl-butyric acid	NA	102.068077	NA	PFEM_hmdb_metabocards_official	NA	NA
+MJ000439	2-Methyl-1-propanol; Formyl 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000440	2-Methylbutanoic acid 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000441	2-Methylpropanoic acid; Me ester 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000442	3-Hydroxy-3-methylbutanal 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000443	3-Methylbutanoic acid 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000444	Isopropyl acetate 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000445	Pentanoic acid 	C5H10O2	102.068079	NA	MeJP	NA	NA
+MJ000446	Tetrahydro-2-furanmethanol 	C5H10O2	102.068079	NA	MeJP	NA	NA
+HMDB00718	Isovaleric acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB00718	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00892	Valeric acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB00892	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00718	Isovaleric acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB00718	HMDB	NA	NA
+HMDB00892	Valeric acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB00892	HMDB	NA	NA
+HMDB02176	Ethylmethylacetic acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB02176	HMDB	NA	NA
+MetaCyc00315	valerate [valerate;valerianic acid;pentanoic acid;pentanoate;]	C5H10O2	102.06808	109-52-4	metacyc	NA	NA
+MetaCyc00316	isovalerate []	C5H10O2	102.06808	NA	metacyc	NA	NA
+MetaCyc00317	2-methylbutyrate [&alpha;-methylbutyrate;]	C5H10O2	102.06808	NA	metacyc	NA	NA
+HMDB00718	Isovaleric acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB00718	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00892	Valeric acid	C5H10O2	102.06808	http://www.hmdb.ca/metabolites/HMDB00892	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00718	Isovaleric acid	C5H10O2	102.06808	HMDB00718	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00892	Valeric acid	C5H10O2	102.06808	HMDB00892	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02176	Ethylmethylacetic acid	C5H10O2	102.06808	HMDB02176	PFEM_hmdb_metabocards_official	NA	NA
+C00803	Pentanoate	C5H10O2	102.0681	NA	KEGG	NA	NA
+C08262	3-Methylbutanoic acid	C5H10O2	102.0681	NA	KEGG	NA	NA
+CJneg0020	Adipic acid [(M-H)-(CO2)]-	C5H9O2	102.068625	C18rt(min)=5.1 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0021	Valeric acid isomer [(M-H)]-	C5H9O2	102.068625	C18rt(min)=5.14 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0020	Adipic acid [(M-H)-(CO2)]-	C5H9O2	102.068625	C18rt(min)=5.1 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0021	Valeric acid isomer [(M-H)]-	C5H9O2	102.068625	C18rt(min)=5.14 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14422	N-Nitrosodiethylamine	C4H10N2O	102.0793	NA	KEGG	NA	NA
+CJpos0105	N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+ (13C)	C413CH12NO	102.086875	C18rt(min)=1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0105	N-Acetylputrescine (and isomer) [(M+H)-(CH3N)]+ (13C)	C413CH12NO	102.086875	C18rt(min)=1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01252	Betaine aldehyde	C5H12NO	102.091888	NA	HMDB2010	NA	NA
+MJ000447	Betaine aldehyde 	C5H12NO	102.091889	NA	MeJP	NA	NA
+MetaCyc00318	betaine aldehyde [glycine betaine aldehyde;]	C5H12N1O1	102.091889	7418-61-3	metacyc	NA	NA
+HMDB01252	Betaine aldehyde	C5H12NO	102.09189	http://www.hmdb.ca/metabolites/HMDB01252	HMDB	NA	NA
+HMDB01252	Betaine aldehyde	C5H12NO	102.09189	HMDB01252	PFEM_hmdb_metabocards_official	NA	NA
+C00576	Betaine aldehyde	C5H12NO	102.0919	NA	KEGG	NA	NA
+MJ000448	1-Ethoxy-2-methylpropane 	C6H14O	102.104465	NA	MeJP	NA	NA
+MJ000449	1-Hexanol 	C6H14O	102.104465	NA	MeJP	NA	NA
+MJ000450	3-Methyl-1-pentanol 	C6H14O	102.104465	NA	MeJP	NA	NA
+MetaCyc00319	hexanol []	C6H14O1	102.104465	111-27-3	metacyc	NA	NA
+MetaCyc00320	dipropylether [di-N-propylether;1-propoxypropane;1,1'-oxybispropane;4-oxaheptane;Di-n-propyl ether;dipropyl ether;dipropyl oxide;ether, di-n-propyl-;propane, 1,1'-oxybis-;propyl ether;n-propyl ether;]	C6H14O1	102.104465	NA	metacyc	NA	NA
+MJ000451	1,4-Butanediamine; N-Me 	C5H14N2	102.115698	NA	MeJP	NA	NA
+MJ000452	1,5-Pentanediamine 	C5H14N2	102.115698	NA	MeJP	NA	NA
+MJ000453	Cadaverine 	C5H14N2	102.115698	NA	MeJP	NA	NA
+MJ000454	N-Methylputrescine 	C5H14N2	102.115698	NA	MeJP	NA	NA
+MetaCyc00321	cadaverine [1,5-Diaminopentane;1,5-pentanediamine;pentamethylenediamine;BioDex 1-;cadaverine;]	C5H14N2	102.115698	462-94-2	metacyc	NA	NA
+MetaCyc00322	N-methylputrescine []	C5H14N2	102.115698	NA	metacyc	NA	NA
+LABER038	cadaverine	NA	102.1157	RT 1.58	PFEM_hmdb_metabocards_urine	NA	urine
+LABER038	cadaverine	NA	102.1157	RT 1.58	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER038	cadaverine	NA	102.1157	RT 1.58	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER038	cadaverine	NA	102.1157	RT 1.58	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02322	Cadaverine	C5H14N2	102.1157	http://www.hmdb.ca/metabolites/HMDB02322	HMDB	NA	NA
+HMDB03661	N-Methylputrescine	C5H14N2	102.1157	http://www.hmdb.ca/metabolites/HMDB03661	HMDB	NA	NA
+LABER038	cadaverine	NA	102.1157	RT 1.58	HMDB	NA	NA
+LABER038	cadaverine	NA	102.1157	RT 1.58	Inhouse_PFEM	NA	NA
+LABER038	cadaverine	NA	102.1157	RT 1.58	Inhousejuil11	NA	NA
+C01672	Cadaverine	C5H14N2	102.1157	NA	KEGG	NA	NA
+C02723	N-Methylputrescine	C5H14N2	102.1157	NA	KEGG	NA	NA
+LABER038	cadaverine	NA	102.1157	RT 1.58	PFEM_hmdb_metabocards_blood	NA	blood
+LABER038	cadaverine	NA	102.1157	RT 1.58	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02322	Cadaverine	C5H14N2	102.1157	HMDB02322	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03661	N-Methylputrescine	C5H14N2	102.1157	HMDB03661	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02322	Cadaverine	C5H14N2	102.1157	NA	HMDB2010	NA	NA
+HMDB03661	N-Methylputrescine	C5H14N2	102.1157	NA	HMDB2010	NA	NA
+HMDB06509	Nervonyl carnitine	C6H16N	102.12827	http://www.hmdb.ca/metabolites/HMDB06509	HMDB	NA	NA
+HMDB06509	Nervonyl carnitine	C6H16N	102.12827	HMDB06509	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06509	Nervonyl carnitine	C6H16N	102.128273	NA	HMDB2010	NA	NA
+MJ000455	2-Oxazolidinethione 	C3H5NOS	103.009184	NA	MeJP	NA	NA
+C02193	Pyruvate oxime	C3H5NO3	103.0269	NA	KEGG	NA	NA
+C11822	2-Aminomalonate semialdehyde	C3H5NO3	103.0269	NA	KEGG	NA	NA
+C11823	2,3-Ene acid	C3H3O2R	103.0269	NA	KEGG	NA	NA
+C11824	Cyclic amide	C3H3O2R	103.0269	NA	KEGG	NA	NA
+HMDB02455	Pyruvatoxime	C3H5NO3	103.026939	NA	HMDB2010	NA	NA
+HMDB11602	3-Oxoalanine	C3H5NO3	103.026939	NA	HMDB2010	NA	NA
+HMDB02455	Pyruvatoxime	C3H5NO3	103.02694	http://www.hmdb.ca/metabolites/HMDB02455	HMDB	NA	NA
+HMDB02455	Pyruvatoxime	C3H5NO3	103.02694	HMDB02455	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00323	pyruvic oxime []	C3H5N1O3	103.026943	NA	metacyc	NA	NA
+MetaCyc00324	2-aminomalonate-semialdehyde []	C3H5N1O3	103.026943	NA	metacyc	NA	NA
+7597	ACE inhibitor	GM	103.0307	MH2+	Inhouse_peptide	NA	peptide
+7609	ACE inhibitor	MG	103.0307	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00325	biuret [allophanamide;carbamylurea;imidodicarbonic diamide;]	C2H5N3O2	103.038176	108-19-0	metacyc	NA	NA
+C06555	Biuret	C2H5N3O2	103.0382	NA	KEGG	NA	NA
+C14595	Methylnitrosourea	C2H5N3O2	103.0382	NA	KEGG	NA	NA
+HMDB02187	2-Methyl-3-hydroxybutanoic acid	C4H7O3	103.03952	http://www.hmdb.ca/metabolites/HMDB02187	HMDB	NA	NA
+HMDB02187	2-Methyl-3-hydroxybutanoic acid	C4H7O3	103.03952	HMDB02187	PFEM_hmdb_metabocards_official	NA	NA
+C09814	Benzonitrile	C7H5N	103.0422	NA	KEGG	NA	NA
+CJpos0106	Methionine (and isomer) [(M+H)-(HCOOH)]+	C4H10NS	103.045075	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0106	Methionine (and isomer) [(M+H)-(HCOOH)]+	C4H10NS	103.045075	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000456	2-Methylthiazolidine 	C4H9NS	103.045569	NA	MeJP	NA	NA
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR292	Methionine F3	NA	103.046775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR292	Methionine F3	NA	103.046775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR292	Methionine F3	NA	103.046775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR292	Methionine F3	F3	103.046775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR292	Methionine F3	NA	103.046775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR292	Methionine F3	F3	103.046775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0107	Aminobutyric acid (and isomers) [(M+H)]+	C4H10NO2	103.062775	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0107	Aminobutyric acid (and isomers) [(M+H)]+	C4H10NO2	103.062775	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR601	N,N-Dimethylglycine 	[M+H]+	103.0633	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR601	N,N-Dimethylglycine 	[M+H]+	103.0633	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR601	N,N-Dimethylglycine 	[M+H]+	103.0633	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR601	N,N-Dimethylglycine 	[M+H]+	103.0633	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00334	4-Aminobutanoate	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C00335	Collagen type IV	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C01026	N,N-Dimethylglycine	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C01205	(R)-3-Amino-2-methylpropanoate	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C02261	D-2-Aminobutyrate	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C02356	(S)-2-Aminobutanoate	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C02721	N-Methyl-L-alanine	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C03284	L-3-Amino-isobutanoate	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C03665	2-Amino-2-methylpropanoate	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C05145	3-Aminoisobutyric acid	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C11109	HBA	C4H9NO2	103.0633	NA	KEGG	NA	NA
+C11735	N-Ethylglycine	C4H9NO2	103.0633	NA	KEGG	NA	NA
+MJ000457	N,N-Dimethylglycine 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000458	3-Aminoisobutanoate 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000459	4-Aminobutanoate 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000460	L-3-Amino-isobutanoate 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000461	2-Aminobutanoic acid 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000462	2-Aminoethanol; O-Ac 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000463	3-Amino-2-methylpropanoic acid 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000464	3-Aminobutanoic acid 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+MJ000465	4-Aminobutanoic acid 	C4H9NO2	103.063328	NA	MeJP	NA	NA
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+MetaCyc00326	DL-3-aminobutyrate [DL-3-aminobutyric acid;dl-&beta;-amino-n-butyric acid;3-aminobutyric acid;3-aminobutanoic acid;butyric acid, 3-amino-, (.+/-.)-;butanoic acid, 3-amino-, (.+/-.)-;]	C4H9N1O2	103.063329	NA	metacyc	NA	NA
+MetaCyc00327	(R)-3-Amino-2-methylpropanoate []	C4H9N1O2	103.063329	NA	metacyc	NA	NA
+MetaCyc00328	(S)-3-Amino-2-methylpropanoate []	C4H9N1O2	103.063329	NA	metacyc	NA	NA
+MetaCyc00329	N-Methyl-L-alanine []	C4H9N1O2	103.063329	3913-67-5	metacyc	NA	NA
+MetaCyc00330	&beta;-alanine-methyl-ester []	C4H9N1O2	103.063329	NA	metacyc	NA	NA
+MetaCyc00331	4-aminobutyrate [GABA;4-aminobutyric acid;4-aminobutanoate;&gamma;-aminobutyrate;4-amino-n-butyric acid;&gamma;-amino-n-butyric acid;]	C4H9N1O2	103.063329	56-12-2	metacyc	NA	NA
+MetaCyc00332	3-amino-isobutyrate [&beta;-aminoisobutyrate;3-amino-isobutyric acid;3-aminoisobutyrate;]	C4H9N1O2	103.063329	144-90-1	metacyc	NA	NA
+MetaCyc00333	N-methyl-&beta;-alanine []	C4H9N1O2	103.063329	NA	metacyc	NA	NA
+MetaCyc00334	dimethylglycine [N,N-dimethylglycine;]	C4H9N1O2	103.063329	1118-68-9	metacyc	NA	NA
+MetaCyc00335	2-aminobutyrate [2-aminobutyric acid;2-amino-n-butyric Acid;butyrine;&alpha;-aminobutyric acid;]	C4H9N1O2	103.063329	2835-81-6	metacyc	NA	NA
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR601	N,N-Dimethylglycine 	F1	103.063329	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00092	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00112	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00452	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02166	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00092	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00112	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00452	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB01906	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02166	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB03911	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00092	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00112	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00452	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02166	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00092	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00112	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00452	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02166	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00092	HMDB	NA	NA
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00112	HMDB	NA	NA
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00452	HMDB	NA	NA
+HMDB00650	D-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00650	HMDB	NA	NA
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB01906	HMDB	NA	NA
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02166	HMDB	NA	NA
+HMDB02299	R-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02299	HMDB	NA	NA
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB03911	HMDB	NA	NA
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	NA  ;SYN:(2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate; (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid; L-N-Acetyltyrosine; L-N-acetyl-Tyrosine; N-Acetyl-L-tyrosine; N-Acetyl-tyrosine; N-Acetyltyrosine; N-acetyl-4-hydroxyphenylalanineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00112	Gamma-Aminobutyric acid	C4H9NO2	103.06333	NA  ;SYN:(2S)-2-Amino-3-methylbutanoate; (2S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutanoate; (S)-2-Amino-3-methylbutanoic acid; (S)-2-Amino-3-methylbutyrate; (S)-2-Amino-3-methylbutyric acid; (S)-2-amino-3-methyl-Butanoate; (S)-2-amino-3-methyl-Butanoic acid; (S)-Valine; (S)-a-Amino-b-methylbutyrate; (S)-a-Amino-b-methylbutyric acid; 2-Amino-3-methylbutanoate; 2-Amino-3-methylbutanoic acid; 2-Amino-3-methylbutyrate; 2-Amino-3-methylbutyric acid; L-(+)-a-Aminoisovalerate; L-(+)-a-Aminoisovaleric acid; L-a-Amino-b-methylbutyrate; L-a-Amino-b-methylbutyric acid; L-valine; valine; (S)-alpha-Amino-beta-methylbutyrate; (S)-alpha-Amino-beta-methylbutyric acid; L-(+)-alpha-Aminoisovalerate; L-(+)-alpha-Aminoisovaleric acid; L-alpha-Amino-beta-methylbutyrate; L-alpha-Amino-beta-methylbutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB00452	L-Alpha-aminobutyric acid	C4H9NO2	103.06333	NA  ;SYN:2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoate; 2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid; ADMA; NG,NG-Dimethyl-L-arginine; NG,NG-dimethylarginine; NG-dimethylarginine; Asymmetric dimethylarginine; N(omega),N(omega)-dimethyl-L-arginine; Nomega,Nomega'-Dimethyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	103.06333	NA  ;SYN:(2R)-2,5-diaminopentanoate; (2R)-2,5-diaminopentanoic acid; (R)-ornithine; ornithineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB02166	(S)-b-aminoisobutyric acid	C4H9NO2	103.06333	NA  ;SYN:N-Acetyl-4-aminobutanoate; 4-Acetamidobutyric acid; N-acetyl-gamma-amino-n-butyric acid; N-Acetyl-4-aminobutyric acid; 4-(Acetylamino)butanoic acid; N-acetyl-gamma-aminobutyrate; N-acetyl-GABA; N4-Acetylaminobutanoate; N-Acetyl-4-aminobutanoic acid; 4-(Acetylamino)butanoate; N4-Acetylaminobutanoic acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	103.06333	Tetrapeptides  ;SYN:L-threonyl-l-LYSYL-l-prolyl-l-arginine; Polytuftsin; Tuftsin polymerH2Blood	Inhouse_peptide	NA	peptide
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00092	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00112	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB00452	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB01906	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB02166	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	103.06333	http://www.hmdb.ca/metabolites/HMDB03911	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00092	Dimethylglycine	C4H9NO2	103.06333	HMDB00092	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00112	gamma-Aminobutyric acid	C4H9NO2	103.06333	HMDB00112	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00452	L-alpha-aminobutyric acid	C4H9NO2	103.06333	HMDB00452	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00650	D-alpha-aminobutyric acid	C4H9NO2	103.06333	HMDB00650	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	103.06333	HMDB01906	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02166	S-b-aminoisobutyric acid	C4H9NO2	103.06333	HMDB02166	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02299	R-b-aminoisobutyric acid	C4H9NO2	103.06333	HMDB02299	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	103.06333	HMDB03911	PFEM_hmdb_metabocards_official	NA	NA
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	HMDB	NA	NA
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	HMDB	NA	NA
+HMDB00092	Dimethylglycine	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB00112	Gamma-Aminobutyric acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB00452	L-Alpha-aminobutyric acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB00650	D-Alpha-aminobutyric acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB01906	2-Aminoisobutyric acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB02166	(S)-b-aminoisobutyric acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB02299	(R)-b-aminoisobutyric acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+HMDB03911	3-Aminoisobutanoic acid	C4H9NO2	103.063332	NA	HMDB2010	NA	NA
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	Inhouse_PFEM	NA	NA
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	Inhouse_PFEM	NA	NA
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	Inhousejuil11	NA	NA
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	Inhousejuil11	NA	NA
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER027	dimethylglycine	NA	103.063332	RT 2.12; 2.40 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+LABER057	dimethylglycine	NA	103.063332	RT 2.08 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	HMDB	NA	NA
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	Inhouse_PFEM	NA	NA
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis020	N,N-Dimethylglycine	HMDB00092_RT1.08_add	103.064	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0108	Choline [(M)]+	C5H14NO	103.099175	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0108	Choline [(M)]+	C5H14NO	103.099175	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000466	1-Dimethylamino-2-propanol 	C5H13NO	103.099714	NA	MeJP	NA	NA
+MJ000467	Choline 	C5H14NO(+)	103.099714	NA	MeJP	NA	NA
+JH166	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+	NA	103.9938	13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH166	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+	NA	103.9938	13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH166	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+	NA	103.9938	13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH166	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-NH3]+	NA	103.9938	13.56	Inhousejuil11	NA	NA
+MJ000468	Carboxylatotrihydroborate(2-); Di-Na salt 	CH3BNa2O2	104.002149	NA	MeJP	NA	NA
+HMDB00691	Malonic acid	C3H4O4	104.010956	NA	HMDB2010	NA	NA
+HMDB01352	Hydroxypyruvic acid	C3H4O4	104.010956	NA	HMDB2010	NA	NA
+HMDB06938	Tartronate semialdehyde	C3H4O4	104.010956	NA	HMDB2010	NA	NA
+MJ000469	2-Hydroxy-3-oxopropanoate 	C3H4O4	104.010958	NA	MeJP	NA	NA
+MJ000470	Hydroxypyruvate 	C3H4O4	104.010958	NA	MeJP	NA	NA
+MJ000471	Malonate 	C3H4O4	104.010958	NA	MeJP	NA	NA
+MJ000472	3-Hydroxy-2-oxopropanoic acid 	C3H4O4	104.010958	NA	MeJP	NA	NA
+MJ000473	Propanedioic acid 	C3H4O4	104.010958	NA	MeJP	NA	NA
+MetaCyc00336	tartronate semialdehyde [2-hydroxy-3-oxopropanoate;tartronic semialdehyde;hydroxymalonaldehydic acid;tartronate-S-ald;]	C3H4O4	104.010959	2480-77-5	metacyc	NA	NA
+MetaCyc00337	hydroxypyruvate [OH-pyruvate;OH-pyr;3-hydroxypyruvate;]	C3H4O4	104.010959	1113-60-6	metacyc	NA	NA
+MetaCyc00338	malonate [propanedioic acid;malonic acid;]	C3H4O4	104.010959	141-82-2	metacyc	NA	NA
+MetaCyc00339	malonyl []	C3H4O4	104.010959	NA	metacyc	NA	NA
+HMDB00691	Malonic acid	C3H4O4	104.01096	http://www.hmdb.ca/metabolites/HMDB00691	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00691	Malonic acid	C3H4O4	104.01096	http://www.hmdb.ca/metabolites/HMDB00691	HMDB	NA	NA
+HMDB01352	Hydroxypyruvic acid	C3H4O4	104.01096	http://www.hmdb.ca/metabolites/HMDB01352	HMDB	NA	NA
+HMDB06781	Tartronate semialdehyde	C3H4O4	104.01096	http://www.hmdb.ca/metabolites/HMDB06781	HMDB	NA	NA
+HMDB00691	Malonic acid	C3H4O4	104.01096	http://www.hmdb.ca/metabolites/HMDB00691	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00691	Malonic acid	C3H4O4	104.01096	HMDB00691	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01352	Hydroxypyruvic acid	C3H4O4	104.01096	HMDB01352	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06781	Tartronate semialdehyde	C3H4O4	104.01096	HMDB06781	PFEM_hmdb_metabocards_official	NA	NA
+C00168	Hydroxypyruvate	C3H4O4	104.011	NA	KEGG	NA	NA
+C00383	Malonate	C3H4O4	104.011	NA	KEGG	NA	NA
+C00384	Neomycin	C12H25N4O5R	104.011	NA	KEGG	NA	NA
+C01146	2-Hydroxy-3-oxopropanoate	C3H4O4	104.011	NA	KEGG	NA	NA
+CJneg0022	Malonic acid [(M-H)]-	C3H3O4	104.011525	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0022	Malonic acid [(M-H)]-	C3H3O4	104.011525	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000474	Urea-1-carboxylate 	C2H4N2O3	104.022192	NA	MeJP	NA	NA
+MetaCyc00340	urea-1-carboxylate [allophanate;allophanic acid;]	C2H4N2O3	104.022192	NA	metacyc	NA	NA
+C01010	Urea-1-carboxylate	C2H4N2O3	104.0222	NA	KEGG	NA	NA
+JH092	Hippuric acid [M+H-glycine]+	NA	104.023	10.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH092	Hippuric acid [M+H-glycine]+	NA	104.023	10.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH092	Hippuric acid [M+H-glycine]+	NA	104.023	10.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH092	Hippuric acid [M+H-glycine]+	NA	104.023	10.55	Inhousejuil11	NA	NA
+CJpos0109	Hippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O	104.025675	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0109	Hippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O	104.025675	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc00341	tetrahydrothiophene 1-oxide []	C4H8O1S1	104.029586	1600-44-8	metacyc	NA	NA
+MetaCyc00342	3-methylthiopropanal [methional;3-methylthiopropional;3-methylthio-propionaldehyde;3-methylsulfanyl-propanal;3-methylmercapto-propionaldehyde;]	C4H8O1S1	104.029586	NA	metacyc	NA	NA
+C02221	2-Cyanopyridine	C6H4N2	104.0374	NA	KEGG	NA	NA
+C02234	4-Cyanopyridine	C6H4N2	104.0374	NA	KEGG	NA	NA
+MetaCyc00343	3-cyanopyridine []	C6H4N2	104.037448	100-54-9	metacyc	NA	NA
+HMDB00684	L-Kynurenine	C10H12N2O3	104.0423965	MH2+	Inhouse_peptide	NA	peptide
+C00989	4-Hydroxybutanoic acid	C4H8O3	104.0473	NA	KEGG	NA	NA
+C01089	(R)-3-Hydroxybutanoate	C4H8O3	104.0473	NA	KEGG	NA	NA
+C01188	3-Hydroxy-2-methylpropanoate	C4H8O3	104.0473	NA	KEGG	NA	NA
+C01991	4-Hydroxyacid	C4H8O3	104.0473	NA	KEGG	NA	NA
+C01992	5'-Nucleotide	C5H10O7PR	104.0473	NA	KEGG	NA	NA
+C03197	(S)-3-Hydroxybutanoate	C4H8O3	104.0473	NA	KEGG	NA	NA
+C05984	2-Hydroxybutanoic acid	C4H8O3	104.0473	NA	KEGG	NA	NA
+C06001	(S)-3-Hydroxyisobutyrate	C4H8O3	104.0473	NA	KEGG	NA	NA
+C14601	Methyl methoxyacetate	C4H8O3	104.0473	NA	KEGG	NA	NA
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00008	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00011	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00023	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00357	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00442	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00729	PFEM_hmdb_metabocards_urine	NA	urine
+LABER030	b-OHbutyric	NA	104.04734	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER030	b-OHbutyric	NA	104.04734	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00008	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00011	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00023	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00357	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00442	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00710	4-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00710	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00729	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER030	b-OHbutyric	NA	104.04734	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00008	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00011	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00023	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00357	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00442	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00729	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER030	b-OHbutyric	NA	104.04734	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00008	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00011	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00023	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00357	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00442	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00729	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00008	HMDB	NA	NA
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00011	HMDB	NA	NA
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00023	HMDB	NA	NA
+HMDB00336	(R)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00336	HMDB	NA	NA
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00357	HMDB	NA	NA
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00442	HMDB	NA	NA
+HMDB00710	4-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00710	HMDB	NA	NA
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00729	HMDB	NA	NA
+HMDB00758	Hydroxybutanoic acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00758	HMDB	NA	NA
+LABER030	b-OHbutyric	NA	104.04734	NA	HMDB	NA	NA
+LABER030	b-OHbutyric	NA	104.04734	NA	Inhouse_PFEM	NA	NA
+LABER030	b-OHbutyric	NA	104.04734	NA	Inhousejuil11	NA	NA
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00008	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00011	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00023	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00357	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00442	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00710	4-Hydroxybutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00710	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	http://www.hmdb.ca/metabolites/HMDB00729	PFEM_hmdb_metabocards_blood	NA	blood
+LABER030	b-OHbutyric	NA	104.04734	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER030	b-OHbutyric	NA	104.04734	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	HMDB00008	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	HMDB00011	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	HMDB00023	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00336	(R)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	HMDB00336	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	HMDB00357	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	HMDB00442	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00710	4-Hydroxybutyric acid	C4H8O3	104.04734	HMDB00710	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00729	a-Hydroxyisobutyric acid	C4H8O3	104.04734	HMDB00729	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00758	Hydroxybutanoic acid	C4H8O3	104.04734	HMDB00758	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00008	2-Hydroxybutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00011	(R)-3-Hydroxybutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00023	(S)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00336	(R)-3-Hydroxyisobutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00357	3-Hydroxybutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00442	(S)-3-Hydroxybutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00710	4-Hydroxybutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+HMDB00729	Alpha-Hydroxyisobutyric acid	C4H8O3	104.04734	NA	HMDB2010	NA	NA
+MJ000475	(R)-3-Hydroxybutanoate 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MJ000476	(S)-3-Hydroxyisobutyrate 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MJ000477	2-Hydroxybutyrate 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MJ000478	4-Hydroxybutanoate 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MJ000479	3-Hydroxybutanoic acid 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MJ000480	4-Hydroxybutanoic acid 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MJ000481	Ethoxyacetic acid 	C4H8O3	104.047344	NA	MeJP	NA	NA
+MetaCyc00344	D-3-hydroxy-butyrate [&beta;-hydroxybutyrate;]	C4H8O3	104.047344	300-85-6	metacyc	NA	NA
+MetaCyc00345	3,4-dihydroxy-2-butanone [tetrolose;]	C4H8O3	104.047344	NA	metacyc	NA	NA
+MetaCyc00346	methyl D-lactate [methyl (R)-lactate;]	C4H8O3	104.047344	17392-83-5	metacyc	NA	NA
+MetaCyc00347	2-hydroxybutyrate [2-hydroxybutyric acid;]	C4H8O3	104.047344	19054-57-0	metacyc	NA	NA
+MetaCyc00348	(R)-3-hydroxybutanoate [(R)-3-hydroxybutanoic acid;(R)-3-hydroxybutyric acid;]	C4H8O3	104.047344	625-72-9	metacyc	NA	NA
+MetaCyc00349	(S)-3-hydroxybutanoate [&beta;-hydroxybutyrate;3-hydroxybutyric acid;3-hydroxybutanoic acid;3-hydroxybutyrate;(S)-hydroxybutanoate;(S)-3-hydroxybutanoic acid;(S)-3-hydroxybutyric acid;]	C4H8O3	104.047344	NA	metacyc	NA	NA
+MetaCyc00350	4-hydroxybutyrate [4-hydroxybutanoate;4-OH-but;4-hydroxybutanoic acid;4-hydroxybutyric acid;]	C4H8O3	104.047344	591-81-1	metacyc	NA	NA
+MetaCyc00351	3-hydroxy-isobutyrate [3-Hydroxy-2-methylpropanoate;3-Hydroxyisobutyric acid;3-OH-iso-but;3-OH-isobutyrate;]	C4H8O3	104.047344	2068-83-9	metacyc	NA	NA
+MJ000482	2,3-Diaminopropanoic acid 	C3H8N2O2	104.058577	NA	MeJP	NA	NA
+MJ000483	Ethylurea; N'-Hydroxy 	C3H8N2O2	104.058577	NA	MeJP	NA	NA
+HMDB02006	2,3-Diaminopropionic acid	C3H8N2O2	104.058578	NA	HMDB2010	NA	NA
+MetaCyc00352	L-2,3-diaminopropanoate []	C3H8N2O2	104.058578	4033-39-0	metacyc	NA	NA
+MetaCyc00353	2,3-diaminopropionate [2,3-diaminopropanoate;2,3-diaminopropionic acid;2,3-diaminopropanoic acid;]	C3H8N2O2	104.058578	NA	metacyc	NA	NA
+HMDB02006	2,3-Diaminopropionic acid	C3H8N2O2	104.05858	http://www.hmdb.ca/metabolites/HMDB02006	HMDB	NA	NA
+HMDB02006	2,3-Diaminopropionic acid	C3H8N2O2	104.05858	HMDB02006	PFEM_hmdb_metabocards_official	NA	NA
+C03401	L-2,3-Diaminopropanoate	C3H8N2O2	104.0586	NA	KEGG	NA	NA
+C03402	L-Asparaginyl-tRNA(Asn)	C14H23N2O12PR2	104.0586	NA	KEGG	NA	NA
+C06393	2,3-Diaminopropanoate	C3H8N2O2	104.0586	NA	KEGG	NA	NA
+C07083	Styrene	C8H8	104.0626	NA	KEGG	NA	NA
+MJ000484	Styrene 	C8H8	104.0626	NA	MeJP	NA	NA
+MetaCyc00354	styrene []	C8H8	104.0626	100-42-5	metacyc	NA	NA
+CJpos0110	Aminobutyric acid (and isomers) [(M+H)]+ (13C)	C313CH10NO2	104.066175	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0110	Aminobutyric acid (and isomers) [(M+H)]+ (13C)	C313CH10NO2	104.066175	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000485	1,4-Diamino-2-butanol 	C4H12N2O	104.094963	NA	MeJP	NA	NA
+CJpos0111	Choline [(M]+ (13C)	C413CH14NO	104.102475	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0111	Choline [(M]+ (13C)	C413CH14NO	104.102475	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00114	Choline	C5H14NO	104.1075	NA	KEGG	NA	NA
+HMDB00097	Choline	C5H14NO	104.107536	NA	HMDB2010	NA	NA
+MJ000486	Choline 	C5H14NO	104.107539	NA	MeJP	NA	NA
+MetaCyc00355	choline []	C5H14N1O1	104.107539	123-41-1	metacyc	NA	NA
+HMDB00097	Choline	C5H14NO	104.10754	http://www.hmdb.ca/metabolites/HMDB00097	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00097	Choline	C5H14NO	104.10754	http://www.hmdb.ca/metabolites/HMDB00097	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00097	Choline	C5H14NO	104.10754	http://www.hmdb.ca/metabolites/HMDB00097	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00097	Choline	C5H14NO	104.10754	http://www.hmdb.ca/metabolites/HMDB00097	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00097	Choline	C5H14NO	104.10754	http://www.hmdb.ca/metabolites/HMDB00097	HMDB	NA	NA
+HMDB00097	Choline	C5H14NO	104.10754	NA  ;SYN:1H-Imidazole-4-ethanamine; 2-(1H-Imidazol-4-yl)ethanamine; 2-(1H-Imidazol-4-yl)ethylamine; 2-(1H-Imidazol-5-yl)ethanamine; 2-(1H-Imidazol-5-yl)ethylamine; 2-(4-Imidazolyl)ethanamine; 2-(4-Imidazolyl)ethylamine; 2-imidazol-4-yl-Ethylamine; 2-imidazol-4-ylethylamine; 4-(2-Aminoethyl)-1H-imidazole; 4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; 5-Imidazoleethylamine; b-Imidazolyl-4-ethylamine; beta-Aminoethylglyoxaline; beta-Aminoethylimidazole; beta-aminothethylglyoxaline; beta-Imidazolyl-4-ethylamine; Eramin; Ergamine; Ergotidine; Free histamine; Histamine; HSM; L-Histamin base; L-Histamine; TheramineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00097	Choline	C5H14NO	104.10754	http://www.hmdb.ca/metabolites/HMDB00097	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00097	Choline	C5H14NO	104.10754	HMDB00097	PFEM_hmdb_metabocards_official	NA	NA
+MJ000487	Nitrourea 	CH3N3O3	105.01744	NA	MeJP	NA	NA
+MJ000488	Thiocarbamic acid; OH-form, O-Et ester 	C3H7NOS	105.024834	NA	MeJP	NA	NA
+MJ000489	Thiocarbamic acid; SH-form, S-Et ester 	C3H7NOS	105.024834	NA	MeJP	NA	NA
+CJpos0112	Hippuric acid [(M+H)-(C2H5NO2)]+ (13C)	C613CH5N0O	105.028975	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0112	Hippuric acid [(M+H)-(C2H5NO2)]+ (13C)	C613CH5N0O	105.028975	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02018	Cyanopyrazine	C5H3N3	105.0327	NA	KEGG	NA	NA
+CJpos0113	Serine [M+H]+	C3H8O3N	105.042075	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0113	Serine [M+H]+	C3H8O3N	105.042075	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00187	L-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB00187	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00187	L-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB00187	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03406	D-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB03406	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00187	L-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB00187	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00187	L-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB00187	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00187	L-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB00187	HMDB	NA	NA
+HMDB03406	D-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB03406	HMDB	NA	NA
+HMDB00187	L-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB00187	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03406	D-Serine	C3H7NO3	105.04259	http://www.hmdb.ca/metabolites/HMDB03406	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00187	L-Serine	C3H7NO3	105.04259	HMDB00187	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03406	D-Serine	C3H7NO3	105.04259	HMDB03406	PFEM_hmdb_metabocards_official	NA	NA
+MJ000490	N-Hydroxyalanine 	C3H7NO3	105.042593	NA	MeJP	NA	NA
+MJ000491	Serine 	C3H7NO3	105.042593	NA	MeJP	NA	NA
+MJ000492	D-Serine 	C3H7NO3	105.042593	NA	MeJP	NA	NA
+MJ000493	L-Serine 	C3H7NO3	105.042593	NA	MeJP	NA	NA
+MetaCyc00356	D-serine []	C3H7N1O3	105.042593	312-84-5	metacyc	NA	NA
+MetaCyc00357	L-serine [S;serine;ser;L-ser;]	C3H7N1O3	105.042593	56-45-1	metacyc	NA	NA
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	HMDB	NA	NA
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	Inhouse_PFEM	NA	NA
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR036	Serine	C3H7NO3	105.042594	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00187	L-Serine	C3H7NO3	105.042595	NA	HMDB2010	NA	NA
+HMDB03406	D-Serine	C3H7NO3	105.042595	NA	HMDB2010	NA	NA
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	PFEM_hmdb_metabocards_urine	NA	urine
+EUR036	Serine	C3H7NO3	105.0426	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR036	Serine	C3H7NO3	105.0426	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR036	Serine	C3H7NO3	105.0426	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	HMDB	NA	NA
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	Inhouse_PFEM	NA	NA
+EUR036	Serine	C3H7NO3	105.0426	Wishlist	Inhousejuil11	NA	NA
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	Inhousejuil11	NA	NA
+C00065	L-Serine	C3H7NO3	105.0426	NA	KEGG	NA	NA
+C00066	tRNA	C10H17O10PR2	105.0426	NA	KEGG	NA	NA
+C00716	DL-Serine	C3H7NO3	105.0426	NA	KEGG	NA	NA
+C00717	Alditol	C2H5O2R	105.0426	NA	KEGG	NA	NA
+C00718	Amylose	C2H5O2R	105.0426	NA	KEGG	NA	NA
+C00740	D-Serine	C3H7NO3	105.0426	NA	KEGG	NA	NA
+PJ000003	S 	C3H7NO3	105.0426	NA	PeJP	NA	NA
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	PFEM_hmdb_metabocards_blood	NA	blood
+LABER010	Serine	C3H7NO3	105.0426	RT 1.93 fragt 106, 60, 42, 70	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00187	L-Serine	C3H7NO3	105.0426	Tripeptides  ;SYN:(Des-Gly)-Glutathione; 3GC; 5-L-Glutamyl-L-cysteine; H-Glu(Cys-OH)-OH; H-gamma-Glu-Cys-OH; L-g-Glutamyl-L-cysteine; L-gamma-Glutamylcysteine; N-(1-carboxy-2-mercaptoethyl)-L-Glutamine; N-L-gamma-glutamyl-L-Cysteine; g-Glutamylcysteine; g-L-Glutamyl-L-cysteine; gamma-Glu-cys; gamma-Glutamylcysteine; gamma-L-Glutamyl-L-cysteine; xN-L-g-glutamyl-Glutamine; L-gamma-Glutamyl-L-cysteine; xN-L-gamma-glutamyl-Glutamine; 5-L-glutamylcysteineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03406	D-Serine	C3H7NO3	105.0426	NA  ;SYN:N,n-dimethyl-l-proline; L-proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; Prestwick-08G03; Homostachydrine;  StachydrineH2Blood; Urine	Inhouse_peptide	NA	peptide
+EUR441	Serine F1	NA	105.042875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR441	Serine F1	NA	105.042875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR441	Serine F1	NA	105.042875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR441	Serine F1	NA	105.042875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+CJneg0023	Serine [M-H]-	C3H6O3N	105.043125	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0023	Serine [M-H]-	C3H6O3N	105.043125	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000494	1,2-Ethanediamine; N-Nitro 	C2H7N3O2	105.053826	NA	MeJP	NA	NA
+MetaCyc00358	4-vinylpyridine []	C7H7N1	105.057849	NA	metacyc	NA	NA
+C03354	3-Methylthiopropanamine	C4H11NS	105.0612	NA	KEGG	NA	NA
+MJ000495	3-(Methylthio)propylamine 	C4H11NS	105.06122	NA	MeJP	NA	NA
+MetaCyc00359	3-methylthiopropanamine []	C4H11N1S1	105.06122	NA	metacyc	NA	NA
+MJ000496	Diethanolamine 	C4H11NO2	105.078978	NA	MeJP	NA	NA
+HMDB04437	Diethanolamine	C4H11NO2	105.078979	NA	HMDB2010	NA	NA
+HMDB04437	Diethanolamine	C4H11NO2	105.07898	http://www.hmdb.ca/metabolites/HMDB04437	HMDB	NA	NA
+HMDB04437	Diethanolamine	C4H11NO2	105.07898	HMDB04437	PFEM_hmdb_metabocards_official	NA	NA
+C06772	Diethanolamine	C4H11NO2	105.079	NA	KEGG	NA	NA
+C11260	2-Amino-2-methyl-1,3-propandiol	C4H11NO2	105.079	NA	KEGG	NA	NA
+HMDB01434	3-Methoxytyrosine	C10H13NO4	105.5422285	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00360	Pd2+ [Pd2+;Pd++;Pd+2;]	PD1	105.903483	NA	metacyc	NA	NA
+MJ000497	cis-3-Chloroacrylic acid 	C3H3ClO2	105.982157	NA	MeJP	NA	NA
+MJ000498	trans-3-Chloroacrylic acid 	C3H3ClO2	105.982157	NA	MeJP	NA	NA
+MJ000499	2-Chloro-2-propenoic acid 	C3H3ClO2	105.982157	NA	MeJP	NA	NA
+MJ000500	3-Chloro-2-propenoic acid 	C3H3ClO2	105.982157	NA	MeJP	NA	NA
+HMDB06914	cis-3-Chloroacrylic acid	C3H3ClO2	105.98216	http://www.hmdb.ca/metabolites/HMDB06914	HMDB	NA	NA
+HMDB06919	trans 3 Chloroacrylic acid	C3H3ClO2	105.98216	http://www.hmdb.ca/metabolites/HMDB06919	HMDB	NA	NA
+HMDB06914	cis-3-Chloroacrylic acid	C3H3ClO2	105.98216	HMDB06914	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06919	trans 3 Chloroacrylic acid	C3H3ClO2	105.98216	HMDB06919	PFEM_hmdb_metabocards_official	NA	NA
+C06614	trans-3-Chloroacrylic acid	C3H3ClO2	105.9822	NA	KEGG	NA	NA
+C06615	cis-3-Chloroacrylic acid	C3H3ClO2	105.9822	NA	KEGG	NA	NA
+MetaCyc00361	S-methylthioglycolate [(methylthio)acetic acid;]	C3H6O2S1	106.00885	2444-37-3	metacyc	NA	NA
+MetaCyc00362	3-mercaptopropionate [3-mercaptopropanoic acid;3-thiopropionic acid;3-thiopropanoic acid;&beta;-thiopropionic acid;]	C3H6O2S1	106.00885	NA	metacyc	NA	NA
+C03173	S-Methylthioglycolate	C3H6O2S	106.0089	NA	KEGG	NA	NA
+C00258	D-Glycerate	C3H6O4	106.0266	NA	KEGG	NA	NA
+MJ000501	2,3-Dihydroxypropanoic acid 	C3H6O4	106.026608	NA	MeJP	NA	NA
+MJ000502	D-Glycerate 	C3H6O4	106.026608	NA	MeJP	NA	NA
+MetaCyc00363	glycerate [(R)-glycerate;D-glycerate;]	C3H6O4	106.026609	6000-40-4	metacyc	NA	NA
+HMDB00139	Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB00139	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB06372	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00139	Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB00139	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB06372	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00139	Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB00139	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB06372	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00139	Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB00139	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB06372	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00139	Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB00139	HMDB	NA	NA
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB06372	HMDB	NA	NA
+HMDB00139	Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB00139	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	http://www.hmdb.ca/metabolites/HMDB06372	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00139	Glyceric acid	C3H6O4	106.02661	HMDB00139	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06372	L-Glyceric acid	C3H6O4	106.02661	HMDB06372	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00139	Glyceric acid	C3H6O4	106.026611	NA	HMDB2010	NA	NA
+HMDB06372	L-Glyceric acid	C3H6O4	106.026611	NA	HMDB2010	NA	NA
+CJneg0024	Glyceric acid [(M-H)]-	C3H5O4	106.027125	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0024	Glyceric acid [(M-H)]-	C3H5O4	106.027125	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C11214	Thiocarbohydrazide	CH6N4S	106.0313	NA	KEGG	NA	NA
+JH190	Phloretin (fragment1)	NA	106.0368	17.67	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH190	Phloretin (fragment1)	NA	106.0368	17.67	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH190	Phloretin (fragment1)	NA	106.0368	17.67	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH190	Phloretin (fragment1)	NA	106.0368	17.67	Inhousejuil11	NA	NA
+MJ000503	2-Aminoethanol nitrate 	C2H6N2O3	106.037842	NA	MeJP	NA	NA
+7601	ACE inhibitor	GH	106.0395	MH2+	Inhouse_peptide	NA	peptide
+7614	ACE inhibitor	HG	106.0395	MH2+	Inhouse_peptide	NA	peptide
+CJpos0114	Tyrosine isomer [(M+H)-(C2H5NO2)]+	C7H7N0O	106.041275	C18rt(min)=6.02 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0115	Tetrahydrohippuric acid [(M+H)-(C2H7NO2)]+	C7H7N0O	106.041275	C18rt(min)=6.33 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0114	Tyrosine isomer [(M+H)-(C2H5NO2)]+	C7H7N0O	106.041275	C18rt(min)=6.02 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0115	Tetrahydrohippuric acid [(M+H)-(C2H7NO2)]+	C7H7N0O	106.041275	C18rt(min)=6.33 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06115	Benzaldehyde	C7H6O	106.04186	http://www.hmdb.ca/metabolites/HMDB06115	HMDB	NA	NA
+HMDB06115	Benzaldehyde	C7H6O	106.04186	HMDB06115	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06115	Benzaldehyde	C7H6O	106.041862	NA	HMDB2010	NA	NA
+MJ000504	Benzaldehyde 	C7H6O	106.041864	NA	MeJP	NA	NA
+MetaCyc00364	benzaldehyde [benzanoaldehyde;]	C7H6O1	106.041865	100-52-7	metacyc	NA	NA
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR256	Norepinephrine F4	NA	106.041875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR256	Norepinephrine F4	NA	106.041875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR256	Norepinephrine F4	NA	106.041875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR256	Norépinephrine F4	F4	106.041875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR256	Norepinephrine F4	NA	106.041875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR256	Norepinephrine F4	F4	106.041875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C00193	Aromatic aldehyde	C7H6O	106.0419	NA	KEGG	NA	NA
+C00261	Benzaldehyde	C7H6O	106.0419	NA	KEGG	NA	NA
+MJ000505	4-Fluorobutanoic acid 	C4H7FO2	106.043007	NA	MeJP	NA	NA
+MJ000506	3-Mercapto-1-propanol; S-Me 	C4H10OS	106.045235	NA	MeJP	NA	NA
+MetaCyc00365	methionol [3-methylthiopropanol;3-methylmercapto-1-propanol;3-hydroxypropyl methyl sulfide;&gamma;-methylmercaptopropyl alcohol;3-methylsulfanyl-1-propanol;]	C4H10O1S1	106.045236	NA	metacyc	NA	NA
+3170	dipeptidyl peptidase IV inhibitor	PP	106.052	MH2+	Inhouse_peptide	NA	peptide
+7836	ACE inhibitor	PP	106.052	MH2+	Inhouse_peptide	NA	peptide
+MJ000507	1,2,3-Butanetriol 	C4H10O3	106.062994	NA	MeJP	NA	NA
+C14689	Diethylene glycol	C4H10O3	106.063	NA	KEGG	NA	NA
+MJ000508	Ethylbenzene 	C8H10	106.07825	NA	MeJP	NA	NA
+MJ000509	m-Xylene 	C8H10	106.07825	NA	MeJP	NA	NA
+MJ000510	o-Xylene 	C8H10	106.07825	NA	MeJP	NA	NA
+MJ000511	p-Xylene 	C8H10	106.07825	NA	MeJP	NA	NA
+MJ000512	1,2-Dimethylbenzene 	C8H10	106.07825	NA	MeJP	NA	NA
+MetaCyc00366	ethylbenzene []	C8H10	106.07825	NA	metacyc	NA	NA
+MetaCyc00367	m-xylene [meta-xylene;m-xylene;dimethylbenzene;xylol;]	C8H10	106.07825	NA	metacyc	NA	NA
+MetaCyc00368	p-xylene [para-xylene;p-xylene;dimethylbenzene;]	C8H10	106.07825	106-42-3	metacyc	NA	NA
+MetaCyc00369	o-xylene [ortho-xylene;o-xylene;dimethylbenzene;]	C8H10	106.07825	NA	metacyc	NA	NA
+C06756	p-Xylene	C8H10	106.0783	NA	KEGG	NA	NA
+C07111	Ethylbenzene	C8H10	106.0783	NA	KEGG	NA	NA
+C07208	m-Xylene	C8H10	106.0783	NA	KEGG	NA	NA
+C07212	o-Xylene	C8H10	106.0783	NA	KEGG	NA	NA
+HMDB02659	Silver	[Ag]+	106.905098	NA	HMDB2010	NA	NA
+HMDB02659	Silver	Ag	106.9051	http://www.hmdb.ca/metabolites/HMDB02659	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02659	Silver	Ag	106.9051	http://www.hmdb.ca/metabolites/HMDB02659	HMDB	NA	NA
+C06710	Silver	Ag	106.9051	NA	KEGG	NA	NA
+HMDB02659	Silver	Ag	106.9051	http://www.hmdb.ca/metabolites/HMDB02659	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02659	Silver	Ag	106.9051	HMDB02659	PFEM_hmdb_metabocards_official	NA	NA
+MJ000513	Chloromethyl thiocyanate 	C2H2ClNS	106.959647	NA	MeJP	NA	NA
+JH012	Taurine [M+H-H20]+	NA	107.0045	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH012	Taurine [M+H-H20]+	NA	107.0045	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH012	Taurine [M+H-H20]+	NA	107.0045	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH012	Taurine [M+H-H20]+	NA	107.0045	1.28	Inhousejuil11	NA	NA
+C06876	Nitrosobenzene	C6H5NO	107.0371	NA	KEGG	NA	NA
+C07327	Pyridine-3-aldehyde	C6H5NO	107.0371	NA	KEGG	NA	NA
+C17500	6-Iminocyclohexa-2,4-dienone	C6H5NO	107.0371	NA	KEGG	NA	NA
+MJ000514	Nitrosobenzene 	C6H5NO	107.037113	NA	MeJP	NA	NA
+MetaCyc00370	nitrosobenzene []	C6H5N1O1	107.037114	586-96-9	metacyc	NA	NA
+C02638	3-Fluoro-D-alanine	C3H6FNO2	107.0383	NA	KEGG	NA	NA
+C16632	alpha-Fluoro-beta-alanine	C3H6FNO2	107.0383	NA	KEGG	NA	NA
+CJpos0116	Tyrosine isomer [(M+H)-(C2H5NO2)]+ (13C)	C613CH7N0O	107.044675	C18rt(min)=6.02 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0116	Tyrosine isomer [(M+H)-(C2H5NO2)]+ (13C)	C613CH7N0O	107.044675	C18rt(min)=6.02 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+3181	dipeptidyl-aminopeptidase IV inhibitor	VP	107.06	MH2+	Inhouse_peptide	NA	peptide
+7587	ACE inhibitor	VP	107.06	MH2+	Inhouse_peptide	NA	peptide
+MJ000515	Benzylamine 	C7H9N	107.073499	NA	MeJP	NA	NA
+MetaCyc00371	N-methylaniline []	C7H9N1	107.073499	100-61-8	metacyc	NA	NA
+C02299	N-Methylaniline	C7H9N	107.0735	NA	KEGG	NA	NA
+C02301	O-Acylcarnitine	C8H14NO4R	107.0735	NA	KEGG	NA	NA
+C02302	Oligoxyloglucan	C8H14NO4R	107.0735	NA	KEGG	NA	NA
+C02303	Peptidylglycine	C4H7N2O3R	107.0735	NA	KEGG	NA	NA
+C14403	2-Aminotoluene	C7H9N	107.0735	NA	KEGG	NA	NA
+C15562	Benzylamine	C7H9N	107.0735	NA	KEGG	NA	NA
+MJ000516	Trihydro(4-methylpyridine)boron 	C6H10BN	107.090629	NA	MeJP	NA	NA
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	107.5174635	MH2+	Inhouse_peptide	NA	peptide
+C12218	Fe(CN)2	C2FeN2	107.9411	NA	KEGG	NA	NA
+MJ000517	Bromoethane 	C2H5Br	107.957462	NA	MeJP	NA	NA
+MJ000518	Ethyl methyl disulfide 	C3H8S2	108.006741	NA	MeJP	NA	NA
+CJpos0117	4-Pyridoxic acid  isomer [(M+H)-(C2H5NO2)]+	C6H5N0O2	108.020575	C18rt(min)=5.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0117	4-Pyridoxic acid  isomer [(M+H)-(C2H5NO2)]+	C6H5N0O2	108.020575	C18rt(min)=5.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH016	Phloroglucinol [M+H-H20]+	NA	108.0206	4.44	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH016	Phloroglucinol [M+H-H20]+	NA	108.0206	4.44	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH016	Phloroglucinol [M+H-H20]+	NA	108.0206	4.44	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH016	Phloroglucinol [M+H-H20]+	NA	108.0206	4.44	Inhousejuil11	NA	NA
+C00472	p-Benzoquinone	C6H4O2	108.0211	NA	KEGG	NA	NA
+C02351	o-Benzoquinone	C6H4O2	108.0211	NA	KEGG	NA	NA
+C02352	1,4-beta-D-Xylan	C6H4O2	108.0211	NA	KEGG	NA	NA
+HMDB03364	Quinone	C6H4O2	108.021126	NA	HMDB2010	NA	NA
+HMDB12133	1,2-Benzoquinone	C6H4O2	108.021126	NA	HMDB2010	NA	NA
+MJ000519	1,4-Benzoquinone 	C6H4O2	108.021129	NA	MeJP	NA	NA
+MJ000520	Quinone 	C6H4O2	108.021129	NA	MeJP	NA	NA
+MetaCyc00372	p-benzoquinone [2,5-cyclohexadiene-1,4-dione;chinone;quinone;]	C6H4O2	108.021129	NA	metacyc	NA	NA
+MetaCyc00373	1,2-benzoquinone []	C6H4O2	108.021129	NA	metacyc	NA	NA
+HMDB03364	Quinone	C6H4O2	108.02113	http://www.hmdb.ca/metabolites/HMDB03364	HMDB	NA	NA
+HMDB03364	Quinone	C6H4O2	108.02113	HMDB03364	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0118	Imidazoleacetic acid isomers [(M+H)-(H2O)]+	C5H5N2O	108.031775	C18rt(min)=0.94 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0118	Imidazoleacetic acid isomers [(M+H)-(H2O)]+	C5H5N2O	108.031775	C18rt(min)=0.94 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000521	2-Amino-3-fluoropropanoic acid, 2-Deutero compd. 	C3H5DFNO2	108.044533	NA	MeJP	NA	NA
+7833	ACE inhibitor	PT	108.0495	MH2+	Inhouse_peptide	NA	peptide
+CJpos0119	Tetrahydrohippuric acid [(M+H)-(C2H5NO2)]+	C7H9N0O	108.056975	C18rt(min)=6.33 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0119	Tetrahydrohippuric acid [(M+H)-(C2H5NO2)]+	C7H9N0O	108.056975	C18rt(min)=6.33 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00556	Benzyl alcohol	C7H8O	108.0575	NA	KEGG	NA	NA
+C01403	Anisole	C7H8O	108.0575	NA	KEGG	NA	NA
+C01467	3-Cresol	C7H8O	108.0575	NA	KEGG	NA	NA
+C01468	4-Cresol	C7H8O	108.0575	NA	KEGG	NA	NA
+C01469	ADP-sugar	C10H14N5O10P2R	108.0575	NA	KEGG	NA	NA
+C01542	o-Cresol	C7H8O	108.0575	NA	KEGG	NA	NA
+C03485	Aromatic primary alcohol	C7H8O	108.0575	NA	KEGG	NA	NA
+HMDB01858	p-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB01858	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01858	p-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB01858	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02048	m-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB02048	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02055	o-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB02055	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01858	p-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB01858	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01858	p-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB01858	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01858	p-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB01858	HMDB	NA	NA
+HMDB02048	m-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB02048	HMDB	NA	NA
+HMDB02055	o-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB02055	HMDB	NA	NA
+HMDB03119	Benzyl alcohol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB03119	HMDB	NA	NA
+HMDB01858	p-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB01858	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02048	m-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB02048	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02055	o-Cresol	C7H8O	108.05751	http://www.hmdb.ca/metabolites/HMDB02055	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01858	p-Cresol	C7H8O	108.05751	HMDB01858	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02048	m-Cresol	C7H8O	108.05751	HMDB02048	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02055	o-Cresol	C7H8O	108.05751	HMDB02055	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03119	Benzyl alcohol	C7H8O	108.05751	HMDB03119	PFEM_hmdb_metabocards_official	NA	NA
+MJ000522	2-Methylphenol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000523	3-Methylphenol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000524	4,6-Heptadiyn-3-ol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000525	4-Methylphenol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000526	Benzyl alcohol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000527	3-Cresol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000528	4-Cresol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000529	Benzyl alcohol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MJ000530	o-Cresol 	C7H8O	108.057514	NA	MeJP	NA	NA
+MetaCyc00374	anisole [methoxybenzene;methyl phenyl ether;phenol methyl ether;]	C7H8O1	108.057515	100-66-3	metacyc	NA	NA
+MetaCyc00375	m-cresol [meta-cresol;3-methylphenol;m-toluol;m-oxytoluene;1-hydroxy-3-methylbenzene;3-methyl-1-hydroxybenzene;m-cresylic acid;meta-cresylic acid;m-methylphenol;3-hydroxytoluene;hydroxy-3-methylbenzene;m-kresol;3-cresol;]	C7H8O1	108.057515	108-39-4	metacyc	NA	NA
+MetaCyc00376	o-cresol [2-hydroxytoluene;o-methylphenol;]	C7H8O1	108.057515	95-48-7	metacyc	NA	NA
+MetaCyc00377	p-cresol [4-hydroxytoluene;p-hydroxytoluene;4-cresol;4-methylphenol;]	C7H8O1	108.057515	106-44-5	metacyc	NA	NA
+MetaCyc00378	benzyl alcohol [&alpha;-hydroxytoluene;benzenemethanol;phenylmethanol;phenylcarbinol;hydroxymethylbenzene;]	C7H8O1	108.057515	100-51-6	metacyc	NA	NA
+HMDB01858	p-Cresol	C7H8O	108.057518	NA	HMDB2010	NA	NA
+HMDB02048	m-Cresol	C7H8O	108.057518	NA	HMDB2010	NA	NA
+HMDB02055	o-Cresol	C7H8O	108.057518	NA	HMDB2010	NA	NA
+HMDB03119	Benzyl alcohol	C7H8O	108.057518	NA	HMDB2010	NA	NA
+HMDB04620	N-a-Acetyl-L-arginine	C8H16N4O3	108.061119	MH2+	Inhouse_peptide	NA	peptide
+3183	dipeptidyl-aminopeptidase IV inhibitor	VV	108.068	MH2+	Inhouse_peptide	NA	peptide
+CJpos0120	Methylhistamine isomers [(M+H)-(NH3)]+	C6H9N2	108.068175	C18rt(min)=0.79 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0120	Methylhistamine isomers [(M+H)-(NH3)]+	C6H9N2	108.068175	C18rt(min)=0.79 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02304	Phenylhydrazine	C6H8N2	108.0687	NA	KEGG	NA	NA
+C02454	Phenylenediamine	C6H8N2	108.0687	NA	KEGG	NA	NA
+C14402	1,2-Diaminobenzene	C6H8N2	108.0687	NA	KEGG	NA	NA
+C17926	2-Pyridinemethanamine	C6H8N2	108.0687	NA	KEGG	NA	NA
+MJ000531	2,5-Dimethylpyrazine 	C6H8N2	108.068748	NA	MeJP	NA	NA
+MJ000532	2-Amino-4-methylpyridine 	C6H8N2	108.068748	NA	MeJP	NA	NA
+MJ000533	3-(Aminomethyl)pyridine 	C6H8N2	108.068748	NA	MeJP	NA	NA
+MetaCyc00379	phenylhydrazine [hydrazine, phenyl-;hydrazine-benzene;hydrazobenzene;hydrazinobenzene;monophenylhydrazine;]	C6H8N2	108.068748	NA	metacyc	NA	NA
+MJ000534	1,3,5-Octatriene 	C8H12	108.0939	NA	MeJP	NA	NA
+MJ000535	1,3,6-Octatriene 	C8H12	108.0939	NA	MeJP	NA	NA
+MJ000536	2,4,6-Octatriene 	C8H12	108.0939	NA	MeJP	NA	NA
+MJ000537	2-Methyl-1,3,5-heptatriene 	C8H12	108.0939	NA	MeJP	NA	NA
+3174	dipeptidyl-aminopeptidase IV inhibitor	KA	108.5655	MH2+	Inhouse_peptide	NA	peptide
+7743	ACE inhibitor	KA	108.5655	MH2+	Inhouse_peptide	NA	peptide
+HMDB00824	Propionylcarnitine	C10H19NO4	108.5657045	MH2+	Inhouse_peptide	NA	peptide
+C00519	Hypotaurine	C2H7NO2S	109.0197	NA	KEGG	NA	NA
+C00520	Plasminogen	C2H7NO2S	109.0197	NA	KEGG	NA	NA
+MJ000538	2-Aminoethanesulfinic acid 	C2H7NO2S	109.019749	NA	MeJP	NA	NA
+MJ000539	Hypotaurine 	C2H7NO2S	109.019749	NA	MeJP	NA	NA
+MetaCyc00380	hypotaurine []	C2H7N1O2S1	109.019749	300-84-5	metacyc	NA	NA
+HMDB00965	Hypotaurine	C2H7NO2S	109.01975	http://www.hmdb.ca/metabolites/HMDB00965	HMDB	NA	NA
+HMDB00965	Hypotaurine	C2H7NO2S	109.01975	HMDB00965	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00965	Hypotaurine	C2H7NO2S	109.019753	NA	HMDB2010	NA	NA
+C02389	p-Benzosemiquinone	C6H5O2	109.029	NA	KEGG	NA	NA
+C05060	o-Benzosemiquinone	C6H5O2	109.029	NA	KEGG	NA	NA
+C05067	trans-3-Enoyl-CoA	C25H39N7O17P3SR	109.029	NA	KEGG	NA	NA
+MJ000540	(2-Aminoethyl)phosphinic acid 	C2H8NO2P	109.029265	NA	MeJP	NA	NA
+7623	ACE inhibitor	EA	109.0395	MH2+	Inhouse_peptide	NA	peptide
+CJpos0121	4-Aminophenol (and isomers) [(M+H)]+	C6H8NO	109.052175	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0121	4-Aminophenol (and isomers) [(M+H)]+	C6H8NO	109.052175	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01169	4-Aminophenol	C6H7NO	109.05276	http://www.hmdb.ca/metabolites/HMDB01169	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01169	4-Aminophenol	C6H7NO	109.05276	http://www.hmdb.ca/metabolites/HMDB01169	HMDB	NA	NA
+HMDB01169	4-Aminophenol	C6H7NO	109.05276	http://www.hmdb.ca/metabolites/HMDB01169	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01169	4-Aminophenol	C6H7NO	109.05276	HMDB01169	PFEM_hmdb_metabocards_official	NA	NA
+MJ000541	2-Acetylpyrrole 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000542	2-Aminophenol 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000543	2-Pyridinemethanol 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000544	3-Pyridinol; Me ether 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000545	4-Hydroxy-2-methylpyridine 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000546	2-Aminophenol 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000547	4-Hydroxyaniline 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MJ000548	N-Hydroxyarylamine 	C6H7NO	109.052763	NA	MeJP	NA	NA
+MetaCyc00381	hydroxyaminobenzene []	C6H7N1O1	109.052764	NA	metacyc	NA	NA
+MetaCyc00382	hydroxylaminobenzene [&beta;-phenylhydroxylamine;N-hydroxyaniline;phenylhydroxylamine;]	C6H7N1O1	109.052764	100-65-2	metacyc	NA	NA
+MetaCyc00383	4-hydroxyaniline [4-aminophenol;p-aminophenol;4-aminobenzenol;p-hydroxyaniline;p-aminobenzenol;]	C6H7N1O1	109.052764	123-30-8	metacyc	NA	NA
+MetaCyc00384	2-aminophenol [2-amino-1-hydroxybenzene;]	C6H7N1O1	109.052764	NA	metacyc	NA	NA
+HMDB01169	4-Aminophenol	C6H7NO	109.052765	NA	HMDB2010	NA	NA
+C01987	2-Aminophenol	C6H7NO	109.0528	NA	KEGG	NA	NA
+C02372	4-Hydroxyaniline	C6H7NO	109.0528	NA	KEGG	NA	NA
+C02720	Hydroxylaminobenzene	C6H7NO	109.0528	NA	KEGG	NA	NA
+C05058	m-Aminophenol	C6H7NO	109.0528	NA	KEGG	NA	NA
+JH048	Histidine [M+H-HCOOH]+	NA	109.0578	1.03	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH048	Histidine [M+H-HCOOH]+	NA	109.0578	1.03	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH048	Histidine [M+H-HCOOH]+	NA	109.0578	1.03	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH048	Histidine [M+H-HCOOH]+	NA	109.0578	1.03	Inhousejuil11	NA	NA
+MJ000549	1H-Imidazo[1,2-b]pyrazole; 2,3-Dihydro 	C5H7N3	109.063997	NA	MeJP	NA	NA
+MJ000550	1H-Pyrrole-3-carboximidamide 	C5H7N3	109.063997	NA	MeJP	NA	NA
+MJ000551	3,4-Pyridinediamine 	C5H7N3	109.063997	NA	MeJP	NA	NA
+MetaCyc00385	Dap [2,6-Diaminopyridine;2,6-pyridinediamine;pyridine, 2,6-diamino-;pyridine-2,6-diyldiamine;]	C5H7N3	109.063997	NA	metacyc	NA	NA
+C10133	Brunfelsamidine	C5H7N3	109.064	NA	KEGG	NA	NA
+C11335	N,N,N-Trimethylmethanaminium chloride	C4H12N	109.0658	NA	KEGG	NA	NA
+C11520	Cyclohexyl isocyanide	C7H11N	109.0891	NA	KEGG	NA	NA
+MetaCyc00386	cyclohexyl-isocyanide []	C7H11N1	109.089149	NA	metacyc	NA	NA
+HMDB00210	Pantothenic acid	C9H17NO5	109.555336	MH2+	Inhouse_peptide	NA	peptide
+MJ000552	Calcium chloride (CaCl2) 	CaCl2	109.900296	NA	MeJP	NA	NA
+C08130	Calcium chloride anhydrous	CaCl2	109.9003	NA	KEGG	NA	NA
+C08132	Transferred to D00934	CaCl2	109.9003	NA	KEGG	NA	NA
+C08133	Transferred to D00935	CaCl2	109.9003	NA	KEGG	NA	NA
+C08135	Transferred to D00937	CaCl2	109.9003	NA	KEGG	NA	NA
+C02535	Dimethyl selenide	C2H6Se	109.9635	NA	KEGG	NA	NA
+C02536	Dolichyl palmitate	C36H66O2	109.9635	NA	KEGG	NA	NA
+C06609	trans-1,3-Dichloropropene	C3H4Cl2	109.969	NA	KEGG	NA	NA
+C06610	cis-1,3-Dichloropropene	C3H4Cl2	109.969	NA	KEGG	NA	NA
+MJ000553	cis-1,3-Dichloropropene 	C3H4Cl2	109.969005	NA	MeJP	NA	NA
+MJ000554	trans-1,3-Dichloropropene 	C3H4Cl2	109.969005	NA	MeJP	NA	NA
+C17943	Formylphosphonate	CH3O4P	109.9769	NA	KEGG	NA	NA
+MJ000555	Lithium sulfate (Li2SO4) 	Li2O4S	109.983737	NA	MeJP	NA	NA
+MJ000556	Dimethyl disulfide; S-Oxide 	C2H6OS2	109.986006	NA	MeJP	NA	NA
+JH078	Aconitic acid (cis-) [M+H-H2O-HCOOH]+	NA	109.9999	7.59	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH078	Aconitic acid (cis-) [M+H-H2O-HCOOH]+	NA	109.9999	7.59	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH078	Aconitic acid (cis-) [M+H-H2O-HCOOH]+	NA	109.9999	7.59	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH078	Aconitic acid (cis-) [M+H-H2O-HCOOH]+	NA	109.9999	7.59	Inhousejuil11	NA	NA
+JH119	Citric acid [M+H-HCOOH-2OH]+	NA	110	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH119	Citric acid [M+H-HCOOH-2OH]+	NA	110	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH119	Citric acid [M+H-HCOOH-2OH]+	NA	110	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH119	Citric acid [M+H-HCOOH-2OH]+	NA	110	2.57	Inhousejuil11	NA	NA
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	HMDB	NA	NA
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	Inhouse_PFEM	NA	NA
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC027	UNKNOWN signif manip paracetamol	NA	110.0028	RT2.4	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00387	methylmethanesulfonate [methylmesylate;methylmethansulphonate;methylmethansulfonat;]	C2H6O3S1	110.003765	NA	metacyc	NA	NA
+CJpos0122	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O2)]+	C6H7O2	110.036275	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0122	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O2)]+	C6H7O2	110.036275	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000557	Catechol 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000558	Hydroquinone 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000559	Resorcinol 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000560	1,2-Benzenediol 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000561	1,3-Benzenediol 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000562	1,4-Benzenediol 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000563	2,4-Hexadienedial 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000564	2-Acetylfuran 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000565	2-Methyl-4H-pyran-4-one 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MJ000566	5-Methyl-2-furancarboxaldehyde 	C6H6O2	110.036779	NA	MeJP	NA	NA
+MetaCyc00388	hydroquinone [1,4-benzenediol;hydroquinol;benzene-1,4-diol;]	C6H6O2	110.036779	123-31-9	metacyc	NA	NA
+MetaCyc00389	resorcinol [1,3-dihydroxybenzene;]	C6H6O2	110.036779	NA	metacyc	NA	NA
+MetaCyc00390	catechol [pyrocatechol;2-hydroxyphenol;pyrocatechin;1,2-dihydroxybenzene;1,2-benzenediol;benzenediol;]	C6H6O2	110.036779	120-80-9	metacyc	NA	NA
+MetaCyc00391	benzosemiquinone [p-benzosemiquinone;]	C6H6O2	110.036779	NA	metacyc	NA	NA
+HMDB00957	Pyrocatechol	C6H6O2	110.03678	http://www.hmdb.ca/metabolites/HMDB00957	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00957	Pyrocatechol	C6H6O2	110.03678	http://www.hmdb.ca/metabolites/HMDB00957	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00957	Pyrocatechol	C6H6O2	110.03678	http://www.hmdb.ca/metabolites/HMDB00957	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00957	Pyrocatechol	C6H6O2	110.03678	http://www.hmdb.ca/metabolites/HMDB00957	HMDB	NA	NA
+HMDB02434	Hydroquinone	C6H6O2	110.03678	http://www.hmdb.ca/metabolites/HMDB02434	HMDB	NA	NA
+HMDB00957	Pyrocatechol	C6H6O2	110.03678	HMDB00957	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02434	Hydroquinone	C6H6O2	110.03678	HMDB02434	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00957	Pyrocatechol	C6H6O2	110.036781	NA	HMDB2010	NA	NA
+HMDB02434	Hydroquinone	C6H6O2	110.036781	NA	HMDB2010	NA	NA
+C00090	Catechol	C6H6O2	110.0368	NA	KEGG	NA	NA
+C00530	p-Benzenediol	C6H6O2	110.0368	NA	KEGG	NA	NA
+C01751	Resorcinol	C6H6O2	110.0368	NA	KEGG	NA	NA
+C01785	Benzenediol	C6H6O2	110.0368	NA	KEGG	NA	NA
+C11115	5-Methyl-2-furaldehyde	C6H6O2	110.0368	NA	KEGG	NA	NA
+C15571	Catechol	C6H6O2	110.0368	NA	KEGG	NA	NA
+CJneg0025	3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO2)]-	C6H5O2	110.037325	C18rt(min)=4.83 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0026	pyrocatechol sulfate isomer [(M-H)-(SO3)]-	C6H5O2S0	110.037325	C18rt(min)=4.88 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0025	3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO2)]-	C6H5O2	110.037325	C18rt(min)=4.83 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0026	pyrocatechol sulfate isomer [(M-H)-(SO3)]-	C6H5O2S0	110.037325	C18rt(min)=4.88 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3173	dipeptidyl-aminopeptidase IV inhibitor	MA	110.0387	MH2+	Inhouse_peptide	NA	peptide
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	110.0423965	MH2+	Inhouse_peptide	NA	peptide
+CJpos0123	Imidazolelactic acid isomers [(M+H)-(HCOOH)]+	C5H7N2O	110.047475	C18rt(min)=0.95 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0123	Imidazolelactic acid isomers [(M+H)-(HCOOH)]+	C5H7N2O	110.047475	C18rt(min)=0.95 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02560	N-Acetylimidazole	C5H6N2O	110.048	NA	KEGG	NA	NA
+C02562	N-Acyl-L-arginine	C7H13N4O3R	110.048	NA	KEGG	NA	NA
+C05130	Imidazole-4-acetaldehyde	C5H6N2O	110.048	NA	KEGG	NA	NA
+HMDB03905	Imidazole-4-acetaldehyde	C5H6N2O	110.04801	http://www.hmdb.ca/metabolites/HMDB03905	HMDB	NA	NA
+HMDB03905	Imidazole-4-acetaldehyde	C5H6N2O	110.04801	HMDB03905	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03905	Imidazole-4-acetaldehyde	C5H6N2O	110.048012	NA	HMDB2010	NA	NA
+MJ000567	1H-Pyrrole-2-carboxylic acid; Amide 	C5H6N2O	110.048012	NA	MeJP	NA	NA
+MetaCyc00392	imidazole acetaldehyde []	C5H6N2O1	110.048013	NA	metacyc	NA	NA
+MetaCyc00393	N-acetylimidazole []	C5H6N2O1	110.048013	2466-76-4	metacyc	NA	NA
+CJpos0124	4-Aminophenol (and isomers) [(M+H)]+ (13C)	C513CH8NO	110.055575	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0124	4-Aminophenol (and isomers) [(M+H)]+ (13C)	C513CH8NO	110.055575	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000568	1H-Pyrazole-1-carboximidamide 	C4H6N4	110.059246	NA	MeJP	NA	NA
+CJpos0125	Suberic acid [(M+H)-(H2O)-(HCOOH)]+	C7H11O	110.072575	C18rt(min)=6.46 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0125	Suberic acid [(M+H)-(H2O)-(HCOOH)]+	C7H11O	110.072575	C18rt(min)=6.46 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000569	2-Isopropylfuran 	C7H10O	110.073164	NA	MeJP	NA	NA
+MJ000570	2-Methyl-1-cyclopentene-1-carboxaldehyde 	C7H10O	110.073164	NA	MeJP	NA	NA
+MJ000571	2-Propylfuran 	C7H10O	110.073164	NA	MeJP	NA	NA
+MJ000572	3-Methyl-2-cyclohexen-1-one 	C7H10O	110.073164	NA	MeJP	NA	NA
+MJ000573	1,3-Octadiene 	C8H14	110.10955	NA	MeJP	NA	NA
+C11033	AMPA	CH6NO3P	111.0085	NA	KEGG	NA	NA
+CJpos0126	Glutamine [(M+H)-(H2O)-(NH3)]+	C5H6NO2	111.031475	C18rt(min)=0.87 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0127	Dihydrothymine [(M+H)-(NH3)]+	C5H6NO2	111.031475	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0128	Hydroxynicotinic acid isomers [(M+H)-(CO)]+	C5H6NO2	111.031475	C18rt(min)=1.05 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0126	Glutamine [(M+H)-(H2O)-(NH3)]+	C5H6NO2	111.031475	C18rt(min)=0.87 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0127	Dihydrothymine [(M+H)-(NH3)]+	C5H6NO2	111.031475	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0128	Hydroxynicotinic acid isomers [(M+H)-(CO)]+	C5H6NO2	111.031475	C18rt(min)=1.05 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01059	2,5-Dihydroxypyridine	C5H5NO2	111.032	NA	KEGG	NA	NA
+C02932	3,4-Dihydroxypyridine	C5H5NO2	111.032	NA	KEGG	NA	NA
+C03056	2,6-Dihydroxypyridine	C5H5NO2	111.032	NA	KEGG	NA	NA
+C03927	3-Hydroxy-4H-pyrid-4-one	C5H5NO2	111.032	NA	KEGG	NA	NA
+C05942	Pyrrole-2-carboxylate	C5H5NO2	111.032	NA	KEGG	NA	NA
+HMDB04230	Pyrrole-2-carboxylic acid	C5H5NO2	111.032028	NA	HMDB2010	NA	NA
+MJ000574	2,5-Dihydroxypyridine 	C5H5NO2	111.032028	NA	MeJP	NA	NA
+MJ000575	Pyrrole-2-carboxylate 	C5H5NO2	111.032028	NA	MeJP	NA	NA
+MJ000576	1H-Pyrrole-2-carboxylic acid 	C5H5NO2	111.032028	NA	MeJP	NA	NA
+MetaCyc00394	pyrrole-2-carboxylate []	C5H5N1O2	111.032028	634-97-9	metacyc	NA	NA
+MetaCyc00395	3,4-dihydroxypyridin [3,4-dihydroxypyridine;]	C5H5N1O2	111.032028	NA	metacyc	NA	NA
+MetaCyc00396	N-methylmaleimide []	C5H5N1O2	111.032028	NA	metacyc	NA	NA
+MetaCyc00397	2,6-dihydroxypyridine []	C5H5N1O2	111.032028	NA	metacyc	NA	NA
+MetaCyc00398	3-hydroxy-4h-pyrid-4-one []	C5H5N1O2	111.032028	NA	metacyc	NA	NA
+MetaCyc00399	2,5-dihydroxypyridine [2(1H)-pyridinone, 5-hydroxy-;2,5-dihydroxypyridine;]	C5H5N1O2	111.032028	NA	metacyc	NA	NA
+HMDB04230	Pyrrole-2-carboxylic acid	C5H5NO2	111.03203	http://www.hmdb.ca/metabolites/HMDB04230	HMDB	NA	NA
+HMDB04230	Pyrrole-2-carboxylic acid	C5H5NO2	111.03203	HMDB04230	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0027	Pyrroledicarboxylic acid [(M-H)-(CO2)]-	C5H4NO2	111.032625	C18rt(min)=5.2 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0027	Pyrroledicarboxylic acid [(M-H)-(CO2)]-	C5H4NO2	111.032625	C18rt(min)=5.2 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00099	L-Cystathionine	C7H14N2O4S	111.0337145	MH2+	Inhouse_peptide	NA	peptide
+CJpos0129	Cytosine [(M+H)]+	C4H6N3O	111.042675	C18rt(min)=0.95 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0129	Cytosine [(M+H)]+	C4H6N3O	111.042675	C18rt(min)=0.95 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	PFEM_hmdb_metabocards_urine	NA	urine
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	HMDB	NA	NA
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	HMDB	NA	NA
+HMDB00630	Cytosine	C4H5N3O	111.043259	NA	HMDB2010	NA	NA
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	Inhouse_PFEM	NA	NA
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	Inhouse_PFEM	NA	NA
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	Inhousejuil11	NA	NA
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	Inhousejuil11	NA	NA
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	PFEM_hmdb_metabocards_blood	NA	blood
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER073	Cytosine	NA	111.043259	112, 95, 52, 69	PFEM_hmdb_metabocards_official	NA	NA
+LABER086	Cytosine	NA	111.043259	RT 2.13 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00630	Cytosine	C4H5N3O	111.04326	http://www.hmdb.ca/metabolites/HMDB00630	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00630	Cytosine	C4H5N3O	111.04326	http://www.hmdb.ca/metabolites/HMDB00630	HMDB	NA	NA
+HMDB00630	Cytosine	C4H5N3O	111.04326	http://www.hmdb.ca/metabolites/HMDB00630	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00630	Cytosine	C4H5N3O	111.04326	HMDB00630	PFEM_hmdb_metabocards_official	NA	NA
+MJ000577	1H-Pyrazole-1-carboxylic acid; Amide 	C4H5N3O	111.043261	NA	MeJP	NA	NA
+MJ000578	4-Amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one 	C4H5N3O	111.043261	NA	MeJP	NA	NA
+MJ000579	Cytosine 	C4H5N3O	111.043261	NA	MeJP	NA	NA
+MetaCyc00400	cytosine [4-amino-2-oxo-1,2-dihydropyrimidine;]	C4H5N3O1	111.043262	71-30-7	metacyc	NA	NA
+C00380	Cytosine	C4H5N3O	111.0433	NA	KEGG	NA	NA
+C00381	Dolichol	C20H36O	111.0433	NA	KEGG	NA	NA
+C00382	Fucose	C20H36O	111.0433	NA	KEGG	NA	NA
+7591	ACE inhibitor	GF	111.0445	MH2+	Inhouse_peptide	NA	peptide
+7605	ACE inhibitor	FG	111.0445	MH2+	Inhouse_peptide	NA	peptide
+C11010	2-Fluoroaniline	C6H6FN	111.0484	NA	KEGG	NA	NA
+C11013	3-Fluoroaniline	C6H6FN	111.0484	NA	KEGG	NA	NA
+C11014	4-Fluoroaniline	C6H6FN	111.0484	NA	KEGG	NA	NA
+MJ000580	1,3,5-Triazinediamine 	C3H5N5	111.054495	NA	MeJP	NA	NA
+MJ000581	2,3-Dihydro-1H-pyrrole; N-Ac 	C6H9NO	111.068413	NA	MeJP	NA	NA
+MJ000582	3-Ethylidene-2-pyrrolidinone 	C6H9NO	111.068413	NA	MeJP	NA	NA
+MJ000583	Polyvidone 	C6H9NO	111.068413	NA	MeJP	NA	NA
+CJpos0130	Histamine [M+H]+	C5H10N3	111.079075	C18rt(min)=0.77 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0130	Histamine [M+H]+	C5H10N3	111.079075	C18rt(min)=0.77 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR209	Histamine F1	NA	111.079375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR209	Histamine F1	NA	111.079375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR209	Histamine F1	NA	111.079375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR209	Histamine F1	NA	111.079375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR209	Histamine F1	C5H9N3	111.079375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR025	Histamine	C5H9N3	111.0796	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR025	Histamine	C5H9N3	111.0796	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR025	Histamine	C5H9N3	111.0796	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR025	Histamine	C5H9N3	111.0796	Wishlist	Inhousejuil11	NA	NA
+C00388	1H-Imidazole-4-ethanamine	C5H9N3	111.0796	NA	KEGG	NA	NA
+HMDB00870	Histamine	C5H9N3	111.07964	Medium chain acyl carnitines  ;SYN:(-)-Lauroylcarnitine; (R)-Dodecanoylcarnitine; Dodecanoyl-L-carnitine; L-Carnitine dodecanoyl ester; Lauroyl-L(-)-carnitin; Lauroyl-L-carnitine; LauroylcarnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00870	Histamine	C5H9N3	111.079643	NA	HMDB2010	NA	NA
+MJ000584	1H-Imidazole-4-ethanamine 	C5H9N3	111.079647	NA	MeJP	NA	NA
+MJ000585	3-(2-Aminoethyl)pyrazole 	C5H9N3	111.079647	NA	MeJP	NA	NA
+MJ000586	Histamine 	C5H9N3	111.079647	NA	MeJP	NA	NA
+MetaCyc00401	histamine [peremin;]	C5H9N3	111.079647	51-45-6	metacyc	NA	NA
+HMDB00870	Histamine	C5H9N3	111.07965	http://www.hmdb.ca/metabolites/HMDB00870	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00870	Histamine	C5H9N3	111.07965	http://www.hmdb.ca/metabolites/HMDB00870	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00870	Histamine	C5H9N3	111.07965	http://www.hmdb.ca/metabolites/HMDB00870	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00870	Histamine	C5H9N3	111.07965	http://www.hmdb.ca/metabolites/HMDB00870	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00870	Histamine	C5H9N3	111.07965	http://www.hmdb.ca/metabolites/HMDB00870	HMDB	NA	NA
+HMDB00870	Histamine	C5H9N3	111.07965	http://www.hmdb.ca/metabolites/HMDB00870	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00870	Histamine	C5H9N3	111.07965	HMDB00870	PFEM_hmdb_metabocards_official	NA	NA
+PFEM045F1	Histamine	F1	111.0826	NA	Inhouse_original	NA	NA
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	111.5422285	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00402	thiosulfate [S2O3;S2O32-;S2O3-2;]	O3S2	111.928885	NA	metacyc	NA	NA
+HMDB00257	Thiosulfate	[S2O3]2-	111.928886	NA	HMDB2010	NA	NA
+C14857	1,1-Dichloroethylene epoxide	C2H2Cl2O	111.9483	NA	KEGG	NA	NA
+C14858	2,2-Dichloroacetaldehyde	C2H2Cl2O	111.9483	NA	KEGG	NA	NA
+C14859	Chloroacetyl chloride	C2H2Cl2O	111.9483	NA	KEGG	NA	NA
+C02704	Monomethyl sulfate	CH4O4S	111.983	NA	KEGG	NA	NA
+C02705	Mucus glycoprotein	C4H6N2O3R2	111.983	NA	KEGG	NA	NA
+C02706	Myelin proteolipid	C4H6N2O3R2	111.983	NA	KEGG	NA	NA
+C02707	Myosin heavy chain	C5H8N2O3R2	111.983	NA	KEGG	NA	NA
+MetaCyc00403	monomethyl sulfate [Methyl sulfate;]	C1H4O4S1	111.983029	75-93-4	metacyc	NA	NA
+C06455	Hydroxymethylphosphonate	CH5O4P	111.9925	NA	KEGG	NA	NA
+MJ000587	Chlorobenzene 	C6H5Cl	112.007977	NA	MeJP	NA	NA
+MetaCyc00404	chlorobenzene [monochlorobenzene;]	C6H5CL1	112.007978	108-90-7	metacyc	NA	NA
+C06990	Chlorobenzene	C6H5Cl	112.008	NA	KEGG	NA	NA
+C06991	Transferred to D00315	C6H5Cl	112.008	NA	KEGG	NA	NA
+C06992	Transferred to D00316	C6H5Cl	112.008	NA	KEGG	NA	NA
+C06993	Transferred to D00317	C6H5Cl	112.008	NA	KEGG	NA	NA
+C06994	Transferred to D00318	C6H5Cl	112.008	NA	KEGG	NA	NA
+C06995	Transferred to D00319	C6H5Cl	112.008	NA	KEGG	NA	NA
+C01546	2-Furoate	C5H4O3	112.016	NA	KEGG	NA	NA
+C01547	ADP-aldose	C5H4O3	112.016	NA	KEGG	NA	NA
+HMDB00617	2-Furoic acid	C5H4O3	112.01604	http://www.hmdb.ca/metabolites/HMDB00617	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00617	2-Furoic acid	C5H4O3	112.01604	http://www.hmdb.ca/metabolites/HMDB00617	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00617	2-Furoic acid	C5H4O3	112.01604	http://www.hmdb.ca/metabolites/HMDB00617	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00444	3-Furoic acid	C5H4O3	112.01604	http://www.hmdb.ca/metabolites/HMDB00444	HMDB	NA	NA
+HMDB00617	2-Furoic acid	C5H4O3	112.01604	http://www.hmdb.ca/metabolites/HMDB00617	HMDB	NA	NA
+HMDB00444	3-Furoic acid	C5H4O3	112.01604	HMDB00444	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00617	2-Furoic acid	C5H4O3	112.01604	HMDB00617	PFEM_hmdb_metabocards_official	NA	NA
+MJ000588	2,3-Dihydroxy-2,4-cyclopentadien-1-one 	C5H4O3	112.016043	NA	MeJP	NA	NA
+MJ000589	2-Furancarboxylic acid 	C5H4O3	112.016043	NA	MeJP	NA	NA
+MJ000590	3-Furancarboxylic acid 	C5H4O3	112.016043	NA	MeJP	NA	NA
+MJ000591	3-Hydroxy-2H-pyran-2-one 	C5H4O3	112.016043	NA	MeJP	NA	NA
+MJ000592	3-Hydroxy-4H-pyran-4-one 	C5H4O3	112.016043	NA	MeJP	NA	NA
+MetaCyc00405	2-furoate []	C5H4O3	112.016044	88-14-2	metacyc	NA	NA
+HMDB00444	3-Furoic acid	C5H4O3	112.016045	NA	HMDB2010	NA	NA
+HMDB00617	2-Furoic acid	C5H4O3	112.016045	NA	HMDB2010	NA	NA
+CJneg0028	Citric acid [(M-H)-2(H2O)-(CO2)]-	C5H3O3	112.016625	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0028	Citric acid [(M-H)-2(H2O)-(CO2)]-	C5H3O3	112.016625	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0033	Ascorbic acid [(M-H)-(H2O)-(HCOOH)]-	C5H3O3	112.016725	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0033	Ascorbic acid [(M-H)-(H2O)-(HCOOH)]-	C5H3O3	112.016725	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR429	Deoxyuridine F6	NA	112.023175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR429	Deoxyuridine F6	NA	112.023175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR429	Deoxyuridine F6	NA	112.023175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR429	Deoxyuridine F6	NA	112.023175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR429	Deoxyuridine F6	F6	112.023175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0131	Uracil [(M+H)]+	C4H5N2O2	112.026775	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0131	Uracil [(M+H)]+	C4H5N2O2	112.026775	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	PFEM_hmdb_metabocards_urine	NA	urine
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	HMDB	NA	NA
+HMDB00300	Uracil	C4H4N2O2	112.027275	NA	HMDB2010	NA	NA
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	Inhouse_PFEM	NA	NA
+LABER064	Uracil	NA	112.027275	113.034475	Inhouse_sept12	NA	NA
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	Inhousejuil11	NA	NA
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	PFEM_hmdb_metabocards_blood	NA	blood
+LABER064	Uracil	HMDB00300_RT1.93_add	112.027275	RT 2.6 fragt 113, 70, 40, 43, 96	PFEM_hmdb_metabocards_official	NA	NA
+MJ000593	2-Butynedioic acid; Diamide 	C4H4N2O2	112.027277	NA	MeJP	NA	NA
+MJ000594	3(5)-Pyrazolecarboxylic acid 	C4H4N2O2	112.027277	NA	MeJP	NA	NA
+MJ000595	Pyrazinol; NH-form, 4-Oxide 	C4H4N2O2	112.027277	NA	MeJP	NA	NA
+MJ000596	Uracil 	C4H4N2O2	112.027277	NA	MeJP	NA	NA
+MetaCyc00406	uracil []	C4H4N2O2	112.027277	66-22-8	metacyc	NA	NA
+HMDB00300	Uracil	C4H4N2O2	112.02728	http://www.hmdb.ca/metabolites/HMDB00300	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00300	Uracil	C4H4N2O2	112.02728	http://www.hmdb.ca/metabolites/HMDB00300	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00300	Uracil	C4H4N2O2	112.02728	http://www.hmdb.ca/metabolites/HMDB00300	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00300	Uracil	C4H4N2O2	112.02728	http://www.hmdb.ca/metabolites/HMDB00300	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00300	Uracil	C4H4N2O2	112.02728	http://www.hmdb.ca/metabolites/HMDB00300	HMDB	NA	NA
+HMDB00300	Uracil	C4H4N2O2	112.02728	http://www.hmdb.ca/metabolites/HMDB00300	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00300	Uracil	C4H4N2O2	112.02728	HMDB00300	PFEM_hmdb_metabocards_official	NA	NA
+EUR602	Uracil 	[M+H]+	112.0273	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR602	Uracil 	[M+H]+	112.0273	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR602	Uracil 	[M+H]+	112.0273	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR602	Uracil 	[M+H]+	112.0273	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00106	Uracil	C4H4N2O2	112.0273	NA	KEGG	NA	NA
+C00107	Dipeptide	C4H6N2O3R2	112.0273	NA	KEGG	NA	NA
+CJneg0029	Uracil [(M-H)]-	C4H3N2O2	112.027825	C18rt(min)=1.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0029	Uracil [(M-H)]-	C4H3N2O2	112.027825	C18rt(min)=1.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C16485	4-Fluorophenol	C6H5FO	112.0324	NA	KEGG	NA	NA
+C16486	Astaxanthin diester	C42H50O6R2	112.0324	NA	KEGG	NA	NA
+MJ000597	2,4-Dimethylthiophene 	C6H8S	112.03467	NA	MeJP	NA	NA
+MetaCyc00407	hydroxypyridine N-oxide [3-pyridinol-1-oxide;3-hydroxypyridine-N-oxide;3-hydroxypyridine 1-oxide;3-pyridinol N-oxide;]	C5H6N1O2	112.039853	NA	metacyc	NA	NA
+HMDB00732	Hydroxykynurenine	C10H12N2O4	112.039856	MH2+	Inhouse_peptide	NA	peptide
+CJpos0132	(2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+	C6H9O2	112.051875	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0133	(2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+	C6H9O2	112.051875	C18rt(min)=4.75 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0132	(2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+	C6H9O2	112.051875	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0133	(2-methoxyethoxy)propanoic acid [(M+H)-2(H2O)]+	C6H9O2	112.051875	C18rt(min)=4.75 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01066	Cyclohexane-1,3-dione	C6H8O2	112.0524	NA	KEGG	NA	NA
+C04091	cis-1,2-Dihydrobenzene-1,2-diol	C6H8O2	112.0524	NA	KEGG	NA	NA
+C04221	trans-1,2-Dihydrobenzene-1,2-diol	C6H8O2	112.0524	NA	KEGG	NA	NA
+C06105	Cyclohexane-1,2-dione	C6H8O2	112.0524	NA	KEGG	NA	NA
+C08063	1,4-Cyclohexanedione	C6H8O2	112.0524	NA	KEGG	NA	NA
+C08502	Parasorbic acid	C6H8O2	112.0524	NA	KEGG	NA	NA
+HMDB01164	trans-1,2-Dihydrobenzene-1,2-diol	C6H8O2	112.052429	NA	HMDB2010	NA	NA
+MJ000598	Cyclohexan-1,2-dione 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000599	cis-1,2-Dihydrobenzene-1,2-diol 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000600	2,4-Hexadienoic acid 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000601	2-Cyclopentene-1-carboxylic acid 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000602	2-Hydroxy-5-methyl-2-cyclopenten-1-one 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000603	2-Methyl-4H-pyran-4-one; 5,6-Dihydro 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000604	3,5-Dimethyl-2(5H)-furanone 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000605	3-Methyl-1,2-cyclopentanedione 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000606	3-Methyl-4-oxo-2-pentenal 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000607	4-Oxo-2-hexen-1-al 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000608	5,5-Dimethyl-2(5H)-furanone 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000609	5,6-Dihydro-6-methyl-2H-pyran-2-one 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000610	5-Hydroxy-3-methyl-2-pentenoic acid, Lactone 	C6H8O2	112.052429	NA	MeJP	NA	NA
+MJ000611	6-Hydroxy-2,4-hexadienal 	C6H8O2	112.052429	NA	MeJP	NA	NA
+HMDB01164	trans-1,2-Dihydrobenzene-1,2-diol	C6H8O2	112.05243	http://www.hmdb.ca/metabolites/HMDB01164	HMDB	NA	NA
+MetaCyc00408	cyclohexane-1,3-dione []	C6H8O2	112.05243	504-02-9	metacyc	NA	NA
+MetaCyc00409	sorbate [sorbic acid;2-propenylacrylic acid;1,3-pentadiene-1-carboxylic acid;2,4-hexadienoic acid;(2-butenylidene)acetic acid;crotylidene acetic acid;(E,E)-2,4-hexadienoic acid;hexa-2,4-dienoic acid;panosorb;hexadienoic acid;sorbistat;trans,trans-2,4-hexadienoic acid;trans,trans-sorbic acid;preservastat;&alpha;-trans-&gamma;-trans-Sorbic acid;]	C6H8O2	112.05243	110-44-1	metacyc	NA	NA
+MetaCyc00410	trans-1,2-Dihydrobenzene-1,2-diol []	C6H8O2	112.05243	NA	metacyc	NA	NA
+MetaCyc00411	cis-1,2-Dihydrobenzene-1,2-diol [cis-Benzeneglycol;cis-Cyclohexa-3,5-diene-1,2-diol;]	C6H8O2	112.05243	NA	metacyc	NA	NA
+HMDB01164	trans-1,2-Dihydrobenzene-1,2-diol	C6H8O2	112.05243	HMDB01164	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0030	(2-methoxyethoxy)propanoic acid [(M-H)-2(H2O)]-	C6H7O2	112.053025	C18rt(min)=4.75 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0030	(2-methoxyethoxy)propanoic acid [(M-H)-2(H2O)]-	C6H7O2	112.053025	C18rt(min)=4.75 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0134	Gly-pro (glycylproline) [(M+H)-(C2H4O2)]+	C5H9N2O	112.063075	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0134	Gly-pro (glycylproline) [(M+H)-(C2H4O2)]+	C5H9N2O	112.063075	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH085	Citrulline (L-) [M+H-HCOOH-NH3]+	NA	112.0631	1.22	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH085	Citrulline (L-) [M+H-HCOOH-NH3]+	NA	112.0631	1.22	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH085	Citrulline (L-) [M+H-HCOOH-NH3]+	NA	112.0631	1.22	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH085	Citrulline (L-) [M+H-HCOOH-NH3]+	NA	112.0631	1.22	Inhousejuil11	NA	NA
+MJ000612	1H-Imidazole-4(5)-ethanol 	C5H8N2O	112.063662	NA	MeJP	NA	NA
+MJ000613	1-Methyl-2-cyclohexen-1-ol 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000614	2,5-Heptadien-1-ol 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000615	2-Heptenal 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000616	2-Methyl-2-cyclohexen-1-ol 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000617	3-Heptenal 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000618	3-Methyl-2-cyclohexen-1-ol 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000619	3-Methyl-3-cyclohexen-1-ol 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000620	3-Methylcyclohexanone 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000621	4-Hepten-2-one 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000622	4-Heptenal 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000623	4-Methyl-4-hexen-3-one 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000624	4-Methylcyclohexanone 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000625	5-Methyl-3-hexen-2-one 	C7H12O	112.088815	NA	MeJP	NA	NA
+MJ000626	cyclo[2.2.1]heptan-2-ol 	C7H12O	112.088815	NA	MeJP	NA	NA
+CJneg0031	Suberic acid [(M-H)-(H2O)-(CO2)]-	C7H11O	112.089325	C18rt(min)=6.46 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0031	Suberic acid [(M-H)-(H2O)-(CO2)]-	C7H11O	112.089325	C18rt(min)=6.46 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000627	1-Ethyl-2-methylcyclopentane 	C8H16	112.1252	NA	MeJP	NA	NA
+HMDB06407	Selenophosphate	H2PSe	112.90593	http://www.hmdb.ca/metabolites/HMDB06407	HMDB	NA	NA
+HMDB06407	Selenophosphate	H2PSe	112.90593	HMDB06407	PFEM_hmdb_metabocards_official	NA	NA
+JH023	Creatine [M+H-H20]+	NA	112.9266	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH023	Creatine [M+H-H20]+	NA	112.9266	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH023	Creatine [M+H-H20]+	NA	112.9266	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH023	Creatine [M+H-H20]+	NA	112.9266	1.23	Inhousejuil11	NA	NA
+C00320	Thiosulfate	HS2O3	112.9367	NA	KEGG	NA	NA
+C00321	Trypsinogen	HS2O3	112.9367	NA	KEGG	NA	NA
+HMDB00257	Thiosulfate	HO3S2	112.93671	http://www.hmdb.ca/metabolites/HMDB00257	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00257	Thiosulfate	HO3S2	112.93671	http://www.hmdb.ca/metabolites/HMDB00257	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00257	Thiosulfate	HO3S2	112.93671	http://www.hmdb.ca/metabolites/HMDB00257	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00257	Thiosulfate	HO3S2	112.93671	http://www.hmdb.ca/metabolites/HMDB00257	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00257	Thiosulfate	HO3S2	112.93671	http://www.hmdb.ca/metabolites/HMDB00257	HMDB	NA	NA
+HMDB00257	Thiosulfate	HO3S2	112.93671	http://www.hmdb.ca/metabolites/HMDB00257	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00257	Thiosulfate	HO3S2	112.93671	HMDB00257	PFEM_hmdb_metabocards_official	NA	NA
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR359	Flavine adenine dinucleotide F9	NA	112.955275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR359	Flavine adenine dinucleotide F9	NA	112.955275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR359	Flavine adenine dinucleotide F9	NA	112.955275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR359	Flavine adénine dinucléotide F9	F9	112.955275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR359	Flavine adenine dinucleotide F9	NA	112.955275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR359	Flavine adenine dinucleotide F9	F9	112.955275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR449	Flavine Mononucleotide F7	NA	112.956175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR449	Flavine Mononucleotide F7	NA	112.956175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR449	Flavine Mononucleotide F7	NA	112.956175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR449	Flavine Mononucléotide F7	F7	112.956175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR449	Flavine Mononucleotide F7	NA	112.956175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR449	Flavine Mononucleotide F7	F7	112.956175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH042	Glutamic acid [M+H-H2O-NH3]+	NA	112.9563	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH042	Glutamic acid [M+H-H2O-NH3]+	NA	112.9563	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH042	Glutamic acid [M+H-H2O-NH3]+	NA	112.9563	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH042	Glutamic acid [M+H-H2O-NH3]+	NA	112.9563	1.23	Inhousejuil11	NA	NA
+JH019	Pyroglutamic acid (DL) [M+H-OH]+	NA	112.9579	2.45	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH019	Pyroglutamic acid (DL) [M+H-OH]+	NA	112.9579	2.45	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH019	Pyroglutamic acid (DL) [M+H-OH]+	NA	112.9579	2.45	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH019	Pyroglutamic acid (DL) [M+H-OH]+	NA	112.9579	2.45	Inhousejuil11	NA	NA
+C03629	O-Phosphorylhydroxylamine	PNH4O4	112.9878	NA	KEGG	NA	NA
+MJ000628	4-Isoxazolecarboxylic acid 	C4H3NO3	113.011292	NA	MeJP	NA	NA
+C14414	Nitrofuran	C4H3NO3	113.0113	NA	KEGG	NA	NA
+CJneg0032	Citric acid [(M-H)-2(H2O)-(CO2)]- (13C)	C4[13]CH3O3	113.019925	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0032	Citric acid [(M-H)-2(H2O)-(CO2)]- (13C)	C4[13]CH3O3	113.019925	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14531	Azomycin	C3H3N3O2	113.0225	NA	KEGG	NA	NA
+MJ000629	1,2,4-Triazine-3,5-diol 	C3H3N3O2	113.022526	NA	MeJP	NA	NA
+MJ000630	2-Nitroimidazole 	C3H3N3O2	113.022526	NA	MeJP	NA	NA
+MetaCyc00412	cis-2-hydroxypenta-2,4-dienoate [2-hydroxypenta-2,4-dienoate;2-hydroxy-2,4-pentadienoate;]	C5H5O3	113.023869	NA	metacyc	NA	NA
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	113.0294875	MH2+	Inhouse_peptide	NA	peptide
+MJ000631	4-Isothiocyanato-1-butene 	C5H7NS	113.029919	NA	MeJP	NA	NA
+MJ000632	Thiiranepropanoic acid; Nitrile 	C5H7NS	113.029919	NA	MeJP	NA	NA
+CJpos0135	N-Acetylaspartic acid [(M+H)-(H2O)-(CO2)]+	C5H8NO2	113.047175	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0135	N-Acetylaspartic acid [(M+H)-(H2O)-(CO2)]+	C5H8NO2	113.047175	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+3184	dipeptidyl-aminopeptidase IV inhibitor	HA	113.0475	MH2+	Inhouse_peptide	NA	peptide
+7835	ACE inhibitor	AH	113.0475	MH2+	Inhouse_peptide	NA	peptide
+7886	peptide derived from egg white albumin	AH	113.0475	MH2+	Inhouse_peptide	NA	peptide
+HMDB01301	1-Pyrroline-5-carboxylic acid	C5H7NO2	113.047676	NA	HMDB2010	NA	NA
+HMDB06875	1-Pyrroline-2-carboxylic acid	C5H7NO2	113.047676	NA	HMDB2010	NA	NA
+HMDB00245	Porphobilinogen	C10H14N2O4	113.047676	MH2+	Inhouse_peptide	NA	peptide
+MJ000633	2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000634	2,4-Pyrrolidinedione; Enol-form, Me ether 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000635	2-Amino-4-pentynoic acid 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000636	2-Azabicyclo[2.1.0]pentane-3-carboxylic acid 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000637	3,4-Dihydro-2H-pyrrole-2-carboxylic acid 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000638	4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000639	7-Oxa-3-azabicyclo[4.1.0]heptan-2-one 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000640	Jatropham 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000641	(S)-1-Pyrroline-5-carboxylate 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MJ000642	1-Pyrroline-2-carboxylate 	C5H7NO2	113.047678	NA	MeJP	NA	NA
+MetaCyc00413	pyrroline 5-carboxylate [L-&Delta;1-pyrroline-5-carboxylate;(S)-1-pyrroline-5-carboxylate;1-pyrroline-5-carboxylate;L-1-pyrroline-5-carboxylate;&delta;-1-pyrroline-5-carboxylic acid;&delta;-1-pyrroline-5-carboxylate;]	C5H7N1O2	113.047678	2906-39-0	metacyc	NA	NA
+MetaCyc00414	&delta;-(1)-pyrroline 2-carboxylate [1-pyrroline 2-carboxylate;]	C5H7N1O2	113.047678	NA	metacyc	NA	NA
+MetaCyc00415	3,4-dihydro-2H-pyrrole-2-carboxylate []	C5H7N1O2	113.047678	NA	metacyc	NA	NA
+MetaCyc00416	1-pyrroline-2-carboxylate [1-pyrroline-2-carboxylic acid;]	C5H7N1O2	113.047678	NA	metacyc	NA	NA
+HMDB01301	L-d-1-Pyrroline-5-carboxylic acid	C5H7NO2	113.04768	http://www.hmdb.ca/metabolites/HMDB01301	HMDB	NA	NA
+HMDB06875	1-Pyrroline-2-carboxylate	C5H7NO2	113.04768	http://www.hmdb.ca/metabolites/HMDB06875	HMDB	NA	NA
+HMDB01301	L-d-1-Pyrroline-5-carboxylic acid	C5H7NO2	113.04768	HMDB01301	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06875	1-Pyrroline-2-carboxylate	C5H7NO2	113.04768	HMDB06875	PFEM_hmdb_metabocards_official	NA	NA
+C03564	1-Pyrroline-2-carboxylate	C5H7NO2	113.0477	NA	KEGG	NA	NA
+C03565	2''-Nucleotidylgentamicin	C5H7NO2	113.0477	NA	KEGG	NA	NA
+C03566	2''-Nucleotidyltobramycin	C22H43N5O15PR	113.0477	NA	KEGG	NA	NA
+C03912	(S)-1-Pyrroline-5-carboxylate	C5H7NO2	113.0477	NA	KEGG	NA	NA
+C04322	3,4-Dihydro-2H-Pyrrole-2-carboxylate	C5H7NO2	113.0477	NA	KEGG	NA	NA
+C07275	Glutarimide	C5H7NO2	113.0477	NA	KEGG	NA	NA
+CJneg0034	N-Acetylaspartic acid [(M-H)-(H2O)-(CO2)]-	C5H6NO2	113.048225	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0034	N-Acetylaspartic acid [(M-H)-(H2O)-(CO2)]-	C5H6NO2	113.048225	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR217	Hydroxyproline F2	NA	113.048975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR217	Hydroxyproline F2	NA	113.048975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR217	Hydroxyproline F2	NA	113.048975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR217	Hydroxyproline F2	NA	113.048975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR217	Hydroxyproline F2	F2	113.048975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00033	Carnosine	C9H14N4O3	113.0532915	MH2+	Inhouse_peptide	NA	peptide
+PFEM030F1	Creatinine	F1	113.0555	NA	Inhouse_original	NA	NA
+CJpos0136	Creatinine (and isomer) [(M+H)]+	C4H8N3O	113.058375	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0136	Creatinine (and isomer) [(M+H)]+	C4H8N3O	113.058375	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR246	Creatinine F1	NA	113.058475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR246	Creatinine F1	NA	113.058475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR246	Creatinine F1	NA	113.058475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR246	Creatinine	C4H7N3O	113.058475	114.065675	Inhouse_sept12	NA	NA
+EUR246	Creatinine F1	NA	113.058475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR246	Creatinine	C4H7N3O	113.058475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR047	Creatinine	C4H7N3O	113.0589	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR603	Creatinine 	[M+H]+	113.0589	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR047	Creatinine	C4H7N3O	113.0589	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR603	Creatinine 	[M+H]+	113.0589	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR047	Creatinine	C4H7N3O	113.0589	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR603	Creatinine 	[M+H]+	113.0589	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR047	Creatinine	C4H7N3O	113.0589	Wishlist	Inhousejuil11	NA	NA
+EUR603	Creatinine 	[M+H]+	113.0589	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00791	Creatinine	C4H7N3O	113.0589	NA	KEGG	NA	NA
+HMDB00562	Creatinine	C4H7N3O	113.05891	http://www.hmdb.ca/metabolites/HMDB00562	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00562	Creatinine	C4H7N3O	113.05891	http://www.hmdb.ca/metabolites/HMDB00562	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00562	Creatinine	C4H7N3O	113.05891	http://www.hmdb.ca/metabolites/HMDB00562	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00562	Creatinine	C4H7N3O	113.05891	http://www.hmdb.ca/metabolites/HMDB00562	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00562	Creatinine	C4H7N3O	113.05891	http://www.hmdb.ca/metabolites/HMDB00562	HMDB	NA	NA
+HMDB00562	Creatinine	C4H7N3O	113.05891	http://www.hmdb.ca/metabolites/HMDB00562	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00562	Creatinine	C4H7N3O	113.05891	HMDB00562	PFEM_hmdb_metabocards_official	NA	NA
+MJ000643	Creatinine 	C4H7N3O	113.058911	NA	MeJP	NA	NA
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	HMDB	NA	NA
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc00417	creatinine [krebiozen;creatinine;2-imino-1-methyl-4-imidazolidinone;1-methyl-2-amino-imidazol-4-one;]	C4H7N3O1	113.058912	60-27-5	metacyc	NA	NA
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR047	Creatinine	C4H7N3O	113.058912	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00562	Creatinine	C4H7N3O	113.058914	NA	HMDB2010	NA	NA
+JH001	Creatinine [M]	C4H7N3O	113.0591	1.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH001	Creatinine [M]	C4H7N3O	113.0591	1.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH001	Creatinine [M]	C4H7N3O	113.0591	1.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH001	Creatinine [M]	C4H7N3O	113.0591	1.02	Inhousejuil11	NA	NA
+EUR553	creatinine	[M+H]+	113.059175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR553	creatinine	[M+H]+	113.059175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR553	creatinine	[M+H]+	113.059175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR553	creatinine	[M+H]+	113.059175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+CJpos0137	Isovalerylglycine [(M+H)-(HCOOH)]+	C6H12NO	113.083475	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0138	6-Aminocaproic acid [(M+H)-(H2O)]+	C6H12NO	113.083475	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0139	Leucine (and isomers) [(M+H)-(H2O)]+	C6H12NO	113.083475	C18rt(min)=1.08 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0140	N-Acetylputrescine (and isomer) [(M+H)-(NH3)]+	C6H12NO	113.083475	C18rt(min)=1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0137	Isovalerylglycine [(M+H)-(HCOOH)]+	C6H12NO	113.083475	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0138	6-Aminocaproic acid [(M+H)-(H2O)]+	C6H12NO	113.083475	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0139	Leucine (and isomers) [(M+H)-(H2O)]+	C6H12NO	113.083475	C18rt(min)=1.08 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0140	N-Acetylputrescine (and isomer) [(M+H)-(NH3)]+	C6H12NO	113.083475	C18rt(min)=1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000644	1-(1-Aziridinyl)-3-buten-2-ol 	C6H11NO	113.084063	NA	MeJP	NA	NA
+MJ000645	1-Piperidinecarboxaldehyde 	C6H11NO	113.084063	NA	MeJP	NA	NA
+MJ000646	3-Ethyl-2-pyrrolidinone 	C6H11NO	113.084063	NA	MeJP	NA	NA
+MJ000647	3-Methyl-3-pentenoic acid, Amide 	C6H11NO	113.084063	NA	MeJP	NA	NA
+MJ000648	epsilon-Caprolactam 	C6H11NO	113.084064	NA	MeJP	NA	NA
+MetaCyc00418	&epsilon;-caprolactam [&epsilon;-caprolactam;hexahydro-2H-Azepin-2-one;hexahydro-2-azepinone;aminocaproic lactam;6-aminocaproic acid lactam;6-aminohexanoic acid cyclic lactam;2-azacycloheptanone;6-caprolactam;&gamma;-caprolactam;6-hexanelactam;hexanolactam;hexanoic acid-6-amino-lactam;2-perhydroazepinone;cyclohexanone iso-oxime;2-oxohexamethylenimine;hexannic acid;perhydroazepin-2-one;E-caprolactam;]	C6H11N1O1	113.084064	105-60-2	metacyc	NA	NA
+C06593	epsilon-Caprolactam	C6H11NO	113.0841	NA	KEGG	NA	NA
+MJ000649	2,6-Dimethylpiperidine 	C7H15N	113.120449	NA	MeJP	NA	NA
+HMDB03638	Cadmium	[Cd]2+	113.903358	NA	HMDB2010	NA	NA
+HMDB03638	Cadmium	Cd	113.90336	http://www.hmdb.ca/metabolites/HMDB03638	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03638	Cadmium	Cd	113.90336	http://www.hmdb.ca/metabolites/HMDB03638	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03638	Cadmium	Cd	113.90336	http://www.hmdb.ca/metabolites/HMDB03638	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03638	Cadmium	Cd	113.90336	http://www.hmdb.ca/metabolites/HMDB03638	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03638	Cadmium	Cd	113.90336	http://www.hmdb.ca/metabolites/HMDB03638	HMDB	NA	NA
+HMDB03638	Cadmium	Cd	113.90336	http://www.hmdb.ca/metabolites/HMDB03638	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03638	Cadmium	Cd	113.90336	HMDB03638	PFEM_hmdb_metabocards_official	NA	NA
+C01413	Cadmium	Cd	113.9034	NA	KEGG	NA	NA
+C05529	H2S2O3	H2S2O3	113.9445	NA	KEGG	NA	NA
+MetaCyc00419	thiophosphate [phosphorothiolate;phosphorothionate;]	H3O3P1S1	113.954051	NA	metacyc	NA	NA
+MJ000650	2,2-Dichloroethanol 	C2H4Cl2O	113.96392	NA	MeJP	NA	NA
+C03248	Acetylenedicarboxylate	C4H2O4	113.9953	NA	KEGG	NA	NA
+MJ000651	Acetylenedicarboxylate 	C4H2O4	113.995308	NA	MeJP	NA	NA
+MetaCyc00420	acetylenedicarboxylate [acetylenedicarboxylic acid;2-butynedioic acid;]	C4H2O4	113.995309	NA	metacyc	NA	NA
+MetaCyc00421	parabanate [parabanic acid;2,4,5-trioxoimidazolidine;]	C3H2N2O3	114.006542	120-89-8	metacyc	NA	NA
+MJ000652	5-Fluoro-4-hydroxypyrimidine 	C4H3FN2O	114.02294	NA	MeJP	NA	NA
+MJ000653	1,3-Dihydro-1-methyl-2H-imidazole-2-thione 	C4H6N2S	114.025168	NA	MeJP	NA	NA
+MJ000654	2-Amino-4-methylthiazole 	C4H6N2S	114.025168	NA	MeJP	NA	NA
+MJ000655	3-Hydroxymethyl-2(5H)-furanone 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000656	3-Methoxy-2(5H)-furanone 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000657	4-Hydroxy-5-methyl-2(5H)-furanone 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000658	4-Hydroxy-5-methyl-3(2H)-furanone 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000659	Dihydro-2H-pyran-2,5(6H)-dione 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000660	Dihydro-4-hydroxy-3-methylene-2(3H)-furanone 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000661	2-Hydroxy-2,4-pentadienoate 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MJ000662	cis-Acetylacrylate 	C5H6O3	114.031694	NA	MeJP	NA	NA
+MetaCyc00422	L-erythro-ascorbate [erythro-ascorbate;]	C5H6O3	114.031694	NA	metacyc	NA	NA
+MetaCyc00423	2-hydroxy-4-pentenoate []	C5H6O3	114.031694	NA	metacyc	NA	NA
+MetaCyc00424	2-oxopent-4-enoate [2-oxopent-4-enoate;2-keto-4-pentenoate;oxopent-4-enoate;2-keto-4-pentenoic acid;2-ketopent-4-enoic acid;]	C5H6O3	114.031694	159694-16-3	metacyc	NA	NA
+C00596	2-Hydroxy-2,4-pentadienoate	C5H6O3	114.0317	NA	KEGG	NA	NA
+C07091	cis-Acetylacrylate	C5H6O3	114.0317	NA	KEGG	NA	NA
+JH029	Glutaric acid  [M+H-H20]+	NA	114.033	4.25	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH029	Glutaric acid  [M+H-H20]+	NA	114.033	4.25	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH029	Glutaric acid  [M+H-H20]+	NA	114.033	4.25	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH029	Glutaric acid  [M+H-H20]+	NA	114.033	4.25	Inhousejuil11	NA	NA
+CJpos0141	3-ureidopropionic acid Asparagine [(M+H)-(H2O)]+	C4H7N2O2	114.042375	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0142	5,6-Dihydrouracil [(M+H)]+	C4H7N2O2	114.042375	C18rt(min)=1.1 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0141	3-ureidopropionic acid § Asparagine [(M+H)-(H2O)]+	C4H7N2O2	114.042375	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0142	5,6-Dihydrouracil [(M+H)]+	C4H7N2O2	114.042375	C18rt(min)=1.1 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00429	5,6-Dihydrouracil	C4H6N2O2	114.0429	NA	KEGG	NA	NA
+C02512	3-Cyano-L-alanine	C4H6N2O2	114.0429	NA	KEGG	NA	NA
+C02565	N-Methylhydantoin	C4H6N2O2	114.0429	NA	KEGG	NA	NA
+C02777	2,5-Dioxopiperazine	C4H6N2O2	114.0429	NA	KEGG	NA	NA
+C08311	Muscimol	C4H6N2O2	114.0429	NA	KEGG	NA	NA
+MJ000663	5,6-Dihydrouracil 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000664	3-Cyano-L-alanine 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000665	N-Methylhydantoin 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000666	2-Amino-3-cyanopropanoic acid 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000667	3-Amidino-2-propenoic acid 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000668	5-(Aminomethyl)-3(2H)-isoxazolone 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000669	5-Methyl-2,4-imidazolidinedione 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MJ000670	Dihydro-2,4(1H,3H)-pyrimidinedione 	C4H6N2O2	114.042927	NA	MeJP	NA	NA
+MetaCyc00425	N-methylhydantoin [N-Methylimidazolidine-2,4-dione;]	C4H6N2O2	114.042927	NA	metacyc	NA	NA
+MetaCyc00426	2,5-dioxopiperazine [2,5-piperazinedione;cycloglycylglycine;glycylglycine lactam;]	C4H6N2O2	114.042927	NA	metacyc	NA	NA
+MetaCyc00427	3-cyano-L-alanine [3-cyanoalanine;L-3-Cyanoalanine;]	C4H6N2O2	114.042927	NA	metacyc	NA	NA
+MetaCyc00428	a 2,4-dioxotetrahydropyrimidine []	C4H6N2O2	114.042927	NA	metacyc	NA	NA
+MetaCyc00429	dihydrouracil [5,6-dihydrouracil;DI-H-uracil;4,5-dihydrouracil;]	C4H6N2O2	114.042927	504-07-4	metacyc	NA	NA
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB00076	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB00076	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB00076	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB00076	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB00076	HMDB	NA	NA
+HMDB03646	N-Methylhydantoin	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB03646	HMDB	NA	NA
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	http://www.hmdb.ca/metabolites/HMDB00076	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00076	Dihydrouracil	C4H6N2O2	114.04293	HMDB00076	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03646	N-Methylhydantoin	C4H6N2O2	114.04293	HMDB03646	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00076	Dihydrouracil	C4H6N2O2	114.042931	NA	HMDB2010	NA	NA
+HMDB03646	N-Methylhydantoin	C4H6N2O2	114.042931	NA	HMDB2010	NA	NA
+C08370	Diallyl sulfide	C6H10S	114.0503	NA	KEGG	NA	NA
+MJ000671	Di-2-propenyl sulfide 	C6H10S	114.050321	NA	MeJP	NA	NA
+CJpos0143	Creatinine (and isomer) [(M+H)]+ (13C)	C313CH8N3O	114.061675	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0143	Creatinine (and isomer) [(M+H)]+ (13C)	C313CH8N3O	114.061675	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+3180	dipeptidyl-aminopeptidase IV inhibitor	LP	114.068	MH2+	Inhouse_peptide	NA	peptide
+7513	ACE inhibitor from Alaskan pollack skin	PL	114.068	MH2+	Inhouse_peptide	NA	peptide
+7581	ACE inhibitor	IP	114.068	MH2+	Inhouse_peptide	NA	peptide
+HMDB00453	Delta-Hexanolactone	C6H10O2	114.068077	NA	HMDB2010	NA	NA
+HMDB03843	Gamma-Caprolactone	C6H10O2	114.068077	NA	HMDB2010	NA	NA
+HMDB10719	trans-Hex-2-enoic acid	C6H10O2	114.068077	NA	HMDB2010	NA	NA
+MJ000672	2,3-Hexanedione 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000673	2-Hexenoic acid 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000674	2-Hexyne-1,4-diol 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000675	3-Hexenoic acid 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000676	4-Ethyldihydro-2(3H)-furanone 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000677	4-Methyl-2-pentenoic acid 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000678	4-Methyl-3-pentenoic acid 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000679	5-Ethyldihydro-2(3H)-furanone 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000680	5-Oxohexanal 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000681	Dihydro-3,5-dimethyl-2(3H)-furanone 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000682	Dihydro-4,5-dimethyl-2(3H)-furanone 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000683	Tetrahydro-6-methyl-2H-pyran-2-one 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000684	2-Hydroxycyclohexan-1-one 	C6H10O2	114.068079	NA	MeJP	NA	NA
+MJ000685	6-Hexanolide 	C6H10O2	114.068079	NA	MeJP	NA	NA
+HMDB00453	delta-Hexanolactone	C6H10O2	114.06808	http://www.hmdb.ca/metabolites/HMDB00453	HMDB	NA	NA
+HMDB03843	gamma-Caprolactone	C6H10O2	114.06808	http://www.hmdb.ca/metabolites/HMDB03843	HMDB	NA	NA
+MetaCyc00430	6-hexanolide [1-oxa-2-oxocycloheptane;&epsilon;-caprolactone;hexano-6-lactone;]	C6H10O2	114.06808	502-44-3	metacyc	NA	NA
+MetaCyc00431	3-hydroxycyclohexanone []	C6H10O2	114.06808	NA	metacyc	NA	NA
+MetaCyc00432	2-hydroxycyclohexan-1-one []	C6H10O2	114.06808	533-60-8	metacyc	NA	NA
+HMDB00453	delta-Hexanolactone	C6H10O2	114.06808	HMDB00453	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03843	gamma-Caprolactone	C6H10O2	114.06808	HMDB03843	PFEM_hmdb_metabocards_official	NA	NA
+C01147	2-Hydroxycyclohexan-1-one	C6H10O2	114.0681	NA	KEGG	NA	NA
+C01880	6-Hexanolide	C6H10O2	114.0681	NA	KEGG	NA	NA
+C03228	3-Hydroxycyclohexanone	C6H10O2	114.0681	NA	KEGG	NA	NA
+CJneg0035	2-isopropylmalic acid [(M-H)-(H2O)-(CO2)]-	C6H9O2	114.068625	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0036	2,2-dimethylglutaric acid [(M-H)-(HCOOH)]-	C6H9O2	114.068625	C18rt(min)=6.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0035	2-isopropylmalic acid [(M-H)-(H2O)-(CO2)]-	C6H9O2	114.068625	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0036	2,2-dimethylglutaric acid [(M-H)-(HCOOH)]-	C6H9O2	114.068625	C18rt(min)=6.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00323	3-Amino-2-piperidone	C5H10N2O	114.07931	http://www.hmdb.ca/metabolites/HMDB00323	HMDB	NA	NA
+HMDB00323	3-Amino-2-piperidone	C5H10N2O	114.07931	HMDB00323	PFEM_hmdb_metabocards_official	NA	NA
+MJ000686	1-Pyrrolidinecarboxamide 	C5H10N2O	114.079312	NA	MeJP	NA	NA
+MJ000687	2-Amino-4,5-dihydro-4,4-dimethyloxazole 	C5H10N2O	114.079312	NA	MeJP	NA	NA
+HMDB00323	3-Amino-2-piperidone	C5H10N2O	114.079315	NA	HMDB2010	NA	NA
+CJpos0144	Isovalerylglycine [(M+H)-(HCOOH)]+ (13C)	C513CH12NO	114.086875	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0144	Isovalerylglycine [(M+H)-(HCOOH)]+ (13C)	C513CH12NO	114.086875	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03671	2-Heptanone	C7H14O	114.104462	NA	HMDB2010	NA	NA
+HMDB04814	4-Heptanone	C7H14O	114.104462	NA	HMDB2010	NA	NA
+HMDB05841	Ethyl isobutyl ketone	C7H14O	114.104462	NA	HMDB2010	NA	NA
+MJ000688	2,4-Dimethyl-3-pentanone 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000689	2,4-Dimethylpentanal 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000690	2-Heptanone 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000691	2-Methylhexanal 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000692	3-Methyl-2-hexanone 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000693	3-Methylcyclohexanol 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000694	4-Heptanone 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000695	4-Hepten-2-ol 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000696	4-Methyl-3-hexanone 	C7H14O	114.104465	NA	MeJP	NA	NA
+MJ000697	Heptanal 	C7H14O	114.104465	NA	MeJP	NA	NA
+MetaCyc00433	heptaldehyde [heptanal;enanthal;]	C7H14O1	114.104465	NA	metacyc	NA	NA
+HMDB04814	4-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB04814	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04814	4-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB04814	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04814	4-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB04814	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04814	4-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB04814	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03671	2-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB03671	HMDB	NA	NA
+HMDB04814	4-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB04814	HMDB	NA	NA
+HMDB05841	Ethyl isobutyl ketone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB05841	HMDB	NA	NA
+HMDB04814	4-Heptanone	C7H14O	114.10447	http://www.hmdb.ca/metabolites/HMDB04814	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03671	2-Heptanone	C7H14O	114.10447	HMDB03671	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04814	4-Heptanone	C7H14O	114.10447	HMDB04814	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05841	Ethyl isobutyl ketone	C7H14O	114.10447	HMDB05841	PFEM_hmdb_metabocards_official	NA	NA
+C08380	2-Heptanone	C7H14O	114.1045	NA	KEGG	NA	NA
+C14390	Heptanal	C7H14O	114.1045	NA	KEGG	NA	NA
+CJpos0145	Trimethylamine oxide [(2M+H)-2(H2O)]+	C6H15N2O0	114.115175	C18rt(min)=0.89 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0145	Trimethylamine oxide [(2M+H)-2(H2O)]+	C6H15N2O0	114.115175	C18rt(min)=0.89 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01485	Octane	C8H18	114.14085	http://www.hmdb.ca/metabolites/HMDB01485	HMDB	NA	NA
+MJ000698	2,3-Dimethylhexane 	C8H18	114.14085	NA	MeJP	NA	NA
+MJ000699	3,3-Dimethylhexane 	C8H18	114.14085	NA	MeJP	NA	NA
+MJ000700	3-Methylheptane 	C8H18	114.14085	NA	MeJP	NA	NA
+MJ000701	Octane 	C8H18	114.14085	NA	MeJP	NA	NA
+HMDB01485	Octane	C8H18	114.14085	HMDB01485	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00434	octane [n-octane;]	C8H18	114.140851	111-65-9	metacyc	NA	NA
+HMDB01485	Octane	C8H18	114.140854	NA	HMDB2010	NA	NA
+C01387	Octane	C8H18	114.1409	NA	KEGG	NA	NA
+C11627	ortho-Vanadate	VO4	114.9236	NA	KEGG	NA	NA
+MJ000702	Thiosulfate 	H3O3S2	114.95236	NA	MeJP	NA	NA
+MetaCyc00435	sodium diethyldithiocarbamate []	C1H2N1NA1S2	114.952635	NA	metacyc	NA	NA
+C01596	Maleamate	C4H5NO3	115.0269	NA	KEGG	NA	NA
+MJ000703	Maleamate 	C4H5NO3	115.026943	NA	MeJP	NA	NA
+MetaCyc00436	maleamate [maleic acid monoamide;maleamate;maleamic acid;]	C4H5N1O3	115.026943	557-24-4	metacyc	NA	NA
+CJneg0037	Aspartic acid [(M-H)-(H2O)]-	C4H4NO3	115.027525	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0038	N-Acetylaspartic acid [(M-H)-(C2H4O2)]-	C4H4NO3	115.027525	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0037	Aspartic acid [(M-H)-(H2O)]-	C4H4NO3	115.027525	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0038	N-Acetylaspartic acid [(M-H)-(C2H4O2)]-	C4H4NO3	115.027525	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000704	1-Isothiocyanato-2-methylpropane 	C5H9NS	115.045569	NA	MeJP	NA	NA
+MJ000705	1-Isothiocyanatobutane 	C5H9NS	115.045569	NA	MeJP	NA	NA
+MJ000706	2-Isothiocyanatobutane 	C5H9NS	115.045569	NA	MeJP	NA	NA
+JH002	Proline [M+H]+	C5H9NO2	115.0612	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH002	Proline [M+H]+	C5H9NO2	115.0612	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH002	Proline [M+H]+	C5H9NO2	115.0612	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH002	Proline [M+H]+	C5H9NO2	115.0612	1.28	Inhousejuil11	NA	NA
+CJpos0146	N-acetylneuraminic acid [(M+H)-(C6H10O7)]+	C5H10NO2	115.062775	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0147	Proline [M+H]+	C5H10O2N	115.062775	C18rt(min)=0.94 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0148	4-Acetamidobutanoic acid isomer [(M+H)-(CH2O)]+	C5H10NO2	115.062775	C18rt(min)=1.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0146	N-acetylneuraminic acid [(M+H)-(C6H10O7)]+	C5H10NO2	115.062775	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0147	Proline [M+H]+	C5H10O2N	115.062775	C18rt(min)=0.94 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0148	4-Acetamidobutanoic acid isomer [(M+H)-(CH2O)]+	C5H10NO2	115.062775	C18rt(min)=1.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	PFEM_hmdb_metabocards_urine	NA	urine
+EUR604	Proline 	[M+H]+	115.0633	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR604	Proline 	[M+H]+	115.0633	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR604	Proline 	[M+H]+	115.0633	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	HMDB	NA	NA
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	Inhouse_PFEM	NA	NA
+LABER012	Proline	NA	115.0633	116.0705	Inhouse_sept12	NA	NA
+EUR604	Proline 	[M+H]+	115.0633	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	Inhousejuil11	NA	NA
+C00148	L-Proline	C5H9NO2	115.0633	NA	KEGG	NA	NA
+C00763	D-Proline	C5H9NO2	115.0633	NA	KEGG	NA	NA
+C16435	Proline	C5H9NO2	115.0633	NA	KEGG	NA	NA
+C18170	3-Acetamidopropanal	C5H9NO2	115.0633	NA	KEGG	NA	NA
+PJ000004	P 	C5H9NO2	115.0633	NA	PeJP	NA	NA
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	PFEM_hmdb_metabocards_blood	NA	blood
+LABER012	Proline	NA	115.0633	RT 2.34 fragt 116, 70, 68	PFEM_hmdb_metabocards_official	NA	NA
+MJ000707	D-Proline 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000708	L-Proline 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000709	2-(Aminomethyl)-2-propenoic acid; Me ester 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000710	2-Amino-4-hydroxypentanoic acid, Lactone 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000711	2-Amino-4-pentenoic acid 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000712	4-Amino-2-methylenebutanoic acid 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000713	5-Hydroxy-2-pyrrolidinone, Me ether 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MJ000714	Proline 	C5H9NO2	115.063328	NA	MeJP	NA	NA
+MetaCyc00437	L-proline [2-pyrrolidinecarboxylic acid;P;proline;prol;pro;]	C5H9N1O2	115.063329	147-85-3	metacyc	NA	NA
+MetaCyc00438	D-proline []	C5H9N1O2	115.063329	344-25-2	metacyc	NA	NA
+HMDB00162	L-Proline	C5H9NO2	115.06333	http://www.hmdb.ca/metabolites/HMDB00162	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00162	L-Proline	C5H9NO2	115.06333	http://www.hmdb.ca/metabolites/HMDB00162	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00162	L-Proline	C5H9NO2	115.06333	http://www.hmdb.ca/metabolites/HMDB00162	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00162	L-Proline	C5H9NO2	115.06333	http://www.hmdb.ca/metabolites/HMDB00162	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00162	L-Proline	C5H9NO2	115.06333	http://www.hmdb.ca/metabolites/HMDB00162	HMDB	NA	NA
+HMDB00162	L-Proline	C5H9NO2	115.06333	Polypeptides  ;SYN:Hypertensin; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Angiotonin; Ang II; Asp-arg-val-TYR-ile-his-pro-phe; 1-8-Angiotensin I; Angiotensin 2; Human angiotensin II; Angiotensin II (human); Angiotensin II (mouse); Ile(5)-angiotensin IIH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00162	L-Proline	C5H9NO2	115.06333	http://www.hmdb.ca/metabolites/HMDB00162	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00162	L-Proline	C5H9NO2	115.06333	HMDB00162	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00162	L-Proline	C5H9NO2	115.063332	NA	HMDB2010	NA	NA
+HMDB03411	D-Proline	C5H9NO2	115.063332	NA	HMDB2010	NA	NA
+8320	Glucose uptake stimulating peptide	VL	115.076	MH2+	Inhouse_peptide	NA	peptide
+8321	Glucose uptake stimulating peptide	LV	115.076	MH2+	Inhouse_peptide	NA	peptide
+8322	Glucose uptake stimulating peptide	IV	115.076	MH2+	Inhouse_peptide	NA	peptide
+CJpos0149	Carnitine (and isomer) [(M+H)-(HCOOH)]+	C6H14NO	115.099175	C18rt(min)=0.95 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0149	Carnitine (and isomer) [(M+H)-(HCOOH)]+	C6H14NO	115.099175	C18rt(min)=0.95 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000715	1-Methylpiperidine; N-Oxide 	C6H13NO	115.099714	NA	MeJP	NA	NA
+MJ000716	2-Methyl-1-propylamine; N-Ac 	C6H13NO	115.099714	NA	MeJP	NA	NA
+MJ000717	4-Amino-4-methyl-2-pentanone 	C6H13NO	115.099714	NA	MeJP	NA	NA
+MJ000718	4-Methylpentanoic acid; Amide 	C6H13NO	115.099714	NA	MeJP	NA	NA
+MJ000719	1-Ethyl-1-(2-hydroxyethyl)aziridinium(1+) 	C6H14NO(+)	115.099714	NA	MeJP	NA	NA
+MJ000720	1-Heptylamine 	C7H17N	115.136099	NA	MeJP	NA	NA
+MJ000721	2-Heptylamine 	C7H17N	115.136099	NA	MeJP	NA	NA
+MJ000722	2-Methyl-1-propylamine; N-Propyl 	C7H17N	115.136099	NA	MeJP	NA	NA
+MJ000723	4-Methyl-2-hexylamine 	C7H17N	115.136099	NA	MeJP	NA	NA
+7603	ACE inhibitor	GR	115.561	MH2+	Inhouse_peptide	NA	peptide
+HMDB00736	Isobutyryl-L-carnitine	C11H21NO4	115.573532	MH2+	Inhouse_peptide	NA	peptide
+HMDB02013	Butyrylcarnitine	C11H21NO4	115.573532	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00439	chromate []	O4CR1	115.92017	NA	metacyc	NA	NA
+LABER049	Fumarate	NA	116.010956	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER049	Fumarate	NA	116.010956	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER049	Fumarate	NA	116.010956	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER049	Fumarate	NA	116.010956	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER049	Fumarate	NA	116.010956	NA	HMDB	NA	NA
+HMDB00134	Fumaric acid	C4H4O4	116.010956	NA	HMDB2010	NA	NA
+HMDB00176	Maleic acid	C4H4O4	116.010956	NA	HMDB2010	NA	NA
+LABER049	Fumarate	NA	116.010956	NA	Inhouse_PFEM	NA	NA
+LABER049	Fumarate	NA	116.010956	NA	Inhousejuil11	NA	NA
+LABER049	Fumarate	NA	116.010956	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER049	Fumarate	NA	116.010956	NA	PFEM_hmdb_metabocards_official	NA	NA
+MJ000724	Fumarate 	C4H4O4	116.010958	NA	MeJP	NA	NA
+MJ000725	Maleic acid 	C4H4O4	116.010958	NA	MeJP	NA	NA
+MJ000726	Fumaric acid 	C4H4O4	116.010958	NA	MeJP	NA	NA
+MetaCyc00440	maleate [maleic acid;cis-butenedioic acid;]	C4H4O4	116.010959	110-16-7	metacyc	NA	NA
+MetaCyc00441	fumarate [fum;fumaric acid;]	C4H4O4	116.010959	110-17-8	metacyc	NA	NA
+HMDB00134	Fumaric acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00134	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00176	Maleic acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00176	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00134	Fumaric acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00134	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00134	Fumaric acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00134	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00176	Maleic acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00176	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00134	Fumaric acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00134	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00176	Maleic acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00176	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00134	Fumaric acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00134	HMDB	NA	NA
+HMDB00176	Maleic acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00176	HMDB	NA	NA
+HMDB00134	Fumaric acid	C4H4O4	116.01096	http://www.hmdb.ca/metabolites/HMDB00134	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00134	Fumaric acid	C4H4O4	116.01096	HMDB00134	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00176	Maleic acid	C4H4O4	116.01096	HMDB00176	PFEM_hmdb_metabocards_official	NA	NA
+C00122	Fumarate	C4H4O4	116.011	NA	KEGG	NA	NA
+C01384	Maleic acid	C4H4O4	116.011	NA	KEGG	NA	NA
+C02150	Formylpyruvate	C4H4O4	116.011	NA	KEGG	NA	NA
+CJneg0039	Fumaric acid [M-H]-	C4H3O4	116.011525	C18rt(min)=1.1 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0040	Maleic acid [(M-H)]-	C4H3O4	116.011525	C18rt(min)=1.6 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0044	Ascorbic acid [(M-H)-(C2H4O2)]-	C4H3O4	116.011525	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0039	Fumaric acid [M-H]-	C4H3O4	116.011525	C18rt(min)=1.1 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0040	Maleic acid [(M-H)]-	C4H3O4	116.011525	C18rt(min)=1.6 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0044	Ascorbic acid [(M-H)-(C2H4O2)]-	C4H3O4	116.011525	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH220	Chlorogenic acid [163-HCOOH]+	NA	116.0257	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH220	Chlorogenic acid [163-HCOOH]+	NA	116.0257	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH220	Chlorogenic acid [163-HCOOH]+	NA	116.0257	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH220	Chlorogenic acid [163-HCOOH]+	NA	116.0257	11.5	Inhousejuil11	NA	NA
+MJ000727	2-Propenylthiourea 	C4H8N2S	116.040818	NA	MeJP	NA	NA
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR428	Deoxyuridine F5	NA	116.046675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR428	Deoxyuridine F5	NA	116.046675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR428	Deoxyuridine F5	NA	116.046675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR428	Deoxyuridine F5	NA	116.046675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR428	Deoxyuridine F5	F5	116.046675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0150	(2-methoxyethoxy)propanoic acid [(M+H)-(CH3OH)]+	C5H9O3	116.046775	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0150	(2-methoxyethoxy)propanoic acid [(M+H)-(CH3OH)]+	C5H9O3	116.046775	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00141	3-Methyl-2-oxobutanoic acid	C5H8O3	116.0473	NA	KEGG	NA	NA
+C02233	3-Oxopentanoic acid	C5H8O3	116.0473	NA	KEGG	NA	NA
+C03273	5-Oxopentanoate	C5H8O3	116.0473	NA	KEGG	NA	NA
+C06255	2-Oxopentanoic acid	C5H8O3	116.0473	NA	KEGG	NA	NA
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00019	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB01865	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00019	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB01865	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00019	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB01865	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00019	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB01865	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00019	HMDB	NA	NA
+HMDB00310	Methylacetoacetic acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00310	HMDB	NA	NA
+HMDB00720	Levulinic acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00720	HMDB	NA	NA
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB01865	HMDB	NA	NA
+HMDB03771	2-Methylacetoacetic acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB03771	HMDB	NA	NA
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB00019	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	http://www.hmdb.ca/metabolites/HMDB01865	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00019	a-Ketoisovaleric acid	C5H8O3	116.04734	HMDB00019	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00310	Methylacetoacetic acid	C5H8O3	116.04734	HMDB00310	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00720	Levulinic acid	C5H8O3	116.04734	HMDB00720	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	HMDB01865	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03771	2-Methylacetoacetic acid	C5H8O3	116.04734	HMDB03771	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00019	Alpha-ketoisovaleric acid	C5H8O3	116.04734	NA	HMDB2010	NA	NA
+HMDB00310	Methylacetoacetic acid	C5H8O3	116.04734	NA	HMDB2010	NA	NA
+HMDB00720	Levulinic acid	C5H8O3	116.04734	NA	HMDB2010	NA	NA
+HMDB01865	2-Oxovaleric acid	C5H8O3	116.04734	NA	HMDB2010	NA	NA
+HMDB03771	2-Methylacetoacetic acid	C5H8O3	116.04734	NA	HMDB2010	NA	NA
+HMDB12233	Glutarate semialdehyde	C5H8O3	116.04734	NA	HMDB2010	NA	NA
+MJ000728	(R)-2-Oxoisovalerate 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000729	3-Methyl-2-oxobutanoate 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000730	Glutarate semialdehyde 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000731	2-Hydroxymethyl-2-butenoic acid 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000732	2-Oxopentanoic acid 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000733	3-Methyl-2-oxobutanoic acid 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000734	4-Cyclopentene-1,2,3-triol 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000735	4-Oxopentanoic acid 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000736	5-Hydroxy-2,3-pentanedione 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MJ000737	Dihydro-4-hydroxy-3-methyl-2(3H)-furanone 	C5H8O3	116.047344	NA	MeJP	NA	NA
+MetaCyc00442	2-ketopentanoate [2-ketopentanoic acid;2-oxopentanoic acid;2-oxovaleric acid;2-oxopentanoate;&alpha;-ketovaleric acid;]	C5H8O3	116.047344	1821-02-9	metacyc	NA	NA
+MetaCyc00443	glutarate semialdehyde [5-oxopentanoate;]	C5H8O3	116.047344	NA	metacyc	NA	NA
+MetaCyc00444	2-keto-isovalerate [2-oxo-3-methylbutanoate;3-methyl-2-oxobutanoate;&alpha;-keto-isovaleric acid;&alpha;-ketoisopentanoic acid;&alpha;-keto-isovalerate;&alpha;-oxoisovalerate;&alpha;-ketovaline;2-oxoisovalerate;2-ketovaline;&alpha;-keto-valine;2-oxoisopentanoate;2-keto-3-methylbutyric acid;]	C5H8O3	116.047344	759-05-7	metacyc	NA	NA
+CJneg0041	2-Oxoadipic acid [(M-H)-(CO2)]-	C5H7O3	116.047925	C18rt(min)=4.65 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0042	3-Oxoadipic acid [(M-H)-(CO2)]-	C5H7O3	116.047925	C18rt(min)=4.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0041	2-Oxoadipic acid [(M-H)-(CO2)]-	C5H7O3	116.047925	C18rt(min)=4.65 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0042	3-Oxoadipic acid [(M-H)-(CO2)]-	C5H7O3	116.047925	C18rt(min)=4.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000738	3-Amino-2-pyrrolidinone, N-OH 	C4H8N2O2	116.058577	NA	MeJP	NA	NA
+MJ000739	5-(Aminomethyl)-3-isoxazolidinone 	C4H8N2O2	116.058577	NA	MeJP	NA	NA
+C16622	N,N'-Diacetylhydrazine	C4H8N2O2	116.0586	NA	KEGG	NA	NA
+MJ000740	2-Propylthietane 	C6H12S	116.065971	NA	MeJP	NA	NA
+EUR004	4-hydroxyhexenal	C6H12O2	116.0837	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR004	4-hydroxyhexenal	C6H12O2	116.0837	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR004	4-hydroxyhexenal	C6H12O2	116.0837	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR004	4-hydroxyhexenal	C6H12O2	116.0837	Wishlist	Inhousejuil11	NA	NA
+C01585	Hexanoic acid	C6H12O2	116.0837	NA	KEGG	NA	NA
+C02948	4-Hydroxyhexan-3-one	C6H12O2	116.0837	NA	KEGG	NA	NA
+C03739	trans-Cyclohexane-1,2-diol	C6H12O2	116.0837	NA	KEGG	NA	NA
+C03740	(5-L-Glutamyl)-L-amino acid	C7H11N2O5R	116.0837	NA	KEGG	NA	NA
+C12293	Isoamyl formate	C6H12O2	116.0837	NA	KEGG	NA	NA
+C12304	Butyl acetate	C6H12O2	116.0837	NA	KEGG	NA	NA
+C12313	cis-Cyclohexane-1,2-diol	C6H12O2	116.0837	NA	KEGG	NA	NA
+MJ000741	trans-Cyclohexane-1,2-diol 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000742	1,2-Cyclohexanediol 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000743	1-Hydroxy-3-hexanone 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000744	2,4,5-Trimethyl-1,3-dioxolane 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000745	2-Ethylbutanoic acid 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000746	2-Hydroxy-3-hexanone 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000747	2-Methyl-1-propanol; Ac 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000748	2-Methylbutanoic acid, Me ester 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000749	2-Methylpentanoic acid 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000750	2-Methylpropanoic acid; Et ester 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000751	3-Hydroxy-2-hexanone 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000752	3-Methylpentanoic acid 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000753	4-Hydroxy-4-methyl-2-pentanone 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000754	4-Methylpentanoic acid 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000755	6-Hydroxy-3-hexanone 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000756	Butanoic acid; Et ester 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000757	Hexanoic acid 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000758	Pentanoic acid; Me ester 	C6H12O2	116.083729	NA	MeJP	NA	NA
+MJ000759	Tetrahydro-5-methyl-2-furanmethanol 	C6H12O2	116.083729	NA	MeJP	NA	NA
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00535	Caproic acid	C6H12O2	116.08373	http://www.hmdb.ca/metabolites/HMDB00535	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00535	Caproic acid	C6H12O2	116.08373	http://www.hmdb.ca/metabolites/HMDB00535	HMDB	NA	NA
+HMDB00689	Isocaproic acid	C6H12O2	116.08373	http://www.hmdb.ca/metabolites/HMDB00689	HMDB	NA	NA
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	HMDB	NA	NA
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc00445	trans-cyclohexane-1,2-diol []	C6H12O2	116.08373	1460-57-7	metacyc	NA	NA
+MetaCyc00446	hexanoate [Hexanoate (n-C6:0);hexanoic acid;caproate;]	C6H12O2	116.08373	142-62-1	metacyc	NA	NA
+MetaCyc00447	4-hydroxyhexan-3-one [4-Hydroxy-3-hexanone;Propioin;]	C6H12O2	116.08373	4984-85-4	metacyc	NA	NA
+HMDB00535	Caproic acid	C6H12O2	116.08373	http://www.hmdb.ca/metabolites/HMDB00535	PFEM_hmdb_metabocards_blood	NA	blood
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR004	4-hydroxyhexenal	C6H12O2	116.08373	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00535	Caproic acid	C6H12O2	116.08373	HMDB00535	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00689	Isocaproic acid	C6H12O2	116.08373	HMDB00689	PFEM_hmdb_metabocards_official	NA	NA
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER045	caproic	NA	116.083733	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER045	caproic	NA	116.083733	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER045	caproic	NA	116.083733	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER045	caproic	NA	116.083733	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	HMDB	NA	NA
+LABER045	caproic	NA	116.083733	NA	HMDB	NA	NA
+HMDB00535	Caproic acid	C6H12O2	116.083733	NA	HMDB2010	NA	NA
+HMDB00689	Isocaproic acid	C6H12O2	116.083733	NA	HMDB2010	NA	NA
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	Inhouse_PFEM	NA	NA
+LABER045	caproic	NA	116.083733	NA	Inhouse_PFEM	NA	NA
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	Inhousejuil11	NA	NA
+LABER045	caproic	NA	116.083733	NA	Inhousejuil11	NA	NA
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER045	caproic	NA	116.083733	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER043	Isocaproic acid or 4-methyl-valerate	NA	116.083733	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER045	caproic	NA	116.083733	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12176	5-Aminopentanamide	C5H12N2O	116.094963	NA	HMDB2010	NA	NA
+MJ000760	5-Aminopentanamide 	C5H12N2O	116.094963	NA	MeJP	NA	NA
+MJ000761	(Carbamoylmethyl)trimethylammonium(1+) 	C5H13N2O(+)	116.094963	NA	MeJP	NA	NA
+MetaCyc00448	5-aminopentanamide []	C5H12N2O1	116.094963	NA	metacyc	NA	NA
+C00990	5-Aminopentanamide	C5H12N2O	116.095	NA	KEGG	NA	NA
+C00991	alpha-D-Aldose 1-phosphate	C5H12N2O	116.095	NA	KEGG	NA	NA
+HMDB12296	Trimethylaminoacetone	C6H14NO	116.107536	NA	HMDB2010	NA	NA
+MetaCyc00449	trimethylaminoacetone []	C6H14N1O1	116.107539	NA	metacyc	NA	NA
+MJ000762	1-Heptanol 	C7H16O	116.120115	NA	MeJP	NA	NA
+MJ000763	2-Heptanol 	C7H16O	116.120115	NA	MeJP	NA	NA
+MJ000764	2-Methyl-1-hexanol 	C7H16O	116.120115	NA	MeJP	NA	NA
+MJ000765	3-Heptanol 	C7H16O	116.120115	NA	MeJP	NA	NA
+MJ000766	4-Methyl-1-hexanol 	C7H16O	116.120115	NA	MeJP	NA	NA
+MJ000767	4-Methyl-3-hexanol 	C7H16O	116.120115	NA	MeJP	NA	NA
+C02231	3-Nitroacrylate	C3H3NO4	117.0062	NA	KEGG	NA	NA
+MetaCyc00450	3-nitroacrylate []	C3H3N1O4	117.006208	NA	metacyc	NA	NA
+CJneg0043	Maleic acid [(M-H)]- (13C)	C3[13]CH3O4	117.014825	C18rt(min)=1.6 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0043	Maleic acid [(M-H)]- (13C)	C3[13]CH3O4	117.014825	C18rt(min)=1.6 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH032	Homocysteine [M+H-H20]+	NA	117.0247	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH032	Homocysteine [M+H-H20]+	NA	117.0247	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH032	Homocysteine [M+H-H20]+	NA	117.0247	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH032	Homocysteine [M+H-H20]+	NA	117.0247	1.28	Inhousejuil11	NA	NA
+HMDB02287	Homocysteine thiolactone	C4H7NOS	117.02483	http://www.hmdb.ca/metabolites/HMDB02287	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02287	Homocysteine thiolactone	C4H7NOS	117.02483	http://www.hmdb.ca/metabolites/HMDB02287	HMDB	NA	NA
+HMDB02287	Homocysteine thiolactone	C4H7NOS	117.02483	Tripeptides  ;SYN:Epsilon-(gamma-glu)-LYS; Epsilon-(gamma-l-glutamyl)-l-lysine; Epsilon-(gamma-glutamyl)lysine; Epsilon-(gamma-glutamyl)-lysine; Epsilon-(gamma-glutamyl)lysine isodipeptide; N(epsilon)-(gamma-glutamyl)-lysine; N(6)-L-gamma-Glutamyl-L-lysineH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB02287	Homocysteine thiolactone	C4H7NOS	117.02483	http://www.hmdb.ca/metabolites/HMDB02287	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02287	Homocysteine thiolactone	C4H7NOS	117.02483	HMDB02287	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02287	Homocysteine thiolactone	C4H7NOS	117.024834	NA	HMDB2010	NA	NA
+MJ000768	3-(Methylthio)-2-propenoic acid, Amide 	C4H7NOS	117.024834	NA	MeJP	NA	NA
+MJ000769	3-Isothiocyanato-1-propanol 	C4H7NOS	117.024834	NA	MeJP	NA	NA
+MJ000770	4-Methyl-2-oxazolidinethione 	C4H7NOS	117.024834	NA	MeJP	NA	NA
+MJ000771	Tetrahydro-2H-1,3-oxazine-2-thione 	C4H7NOS	117.024834	NA	MeJP	NA	NA
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR288	Homocysteine F4	NA	117.026775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR288	Homocysteine F4	NA	117.026775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR288	Homocysteine F4	NA	117.026775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR288	Homocysteine F4	NA	117.026775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR288	Homocysteine F4	F4	117.026775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+8330	Stimulating vasoactive substance release	SE	117.037	MH2+	Inhouse_peptide	NA	peptide
+HMDB00532	Acetylglycine	C4H7NO3	117.04259	http://www.hmdb.ca/metabolites/HMDB00532	HMDB	NA	NA
+HMDB06454	L-2-Amino-3-oxobutanoate	C4H7NO3	117.04259	http://www.hmdb.ca/metabolites/HMDB06454	HMDB	NA	NA
+HMDB00532	Acetylglycine	C4H7NO3	117.04259	HMDB00532	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06454	L-2-Amino-3-oxobutanoate	C4H7NO3	117.04259	HMDB06454	PFEM_hmdb_metabocards_official	NA	NA
+MJ000772	2-Amino-4-oxobutanoic acid 	C4H7NO3	117.042593	NA	MeJP	NA	NA
+MJ000773	3-Amino-2-oxetanecarboxylic acid 	C4H7NO3	117.042593	NA	MeJP	NA	NA
+MJ000774	N-Acetylglycine 	C4H7NO3	117.042593	NA	MeJP	NA	NA
+MJ000775	L-2-Amino-3-oxobutanoate 	C4H7NO3	117.042593	NA	MeJP	NA	NA
+MJ000776	L-Aspartate 4-semialdehyde 	C4H7NO3	117.042593	NA	MeJP	NA	NA
+MetaCyc00451	succanimate [succanimic acid;]	C4H7N1O3	117.042593	638-32-4	metacyc	NA	NA
+MetaCyc00452	2-amino-3-oxobutanoate [2-amino-acetoacetate;2-amino-3-ketobutyrate;2-amino-3-oxobutyrate;&alpha;-amino-&beta;-ketobutyrate;L-2-amino-3-oxobutanoate;]	C4H7N1O3	117.042593	NA	metacyc	NA	NA
+MetaCyc00453	L-aspartate-semialdehyde [L-aspartic 4-semialdehyde;L-aspartate-4-semialdehyde;L-aspartate &beta;-semialdehyde;]	C4H7N1O3	117.042593	15106-57-7	metacyc	NA	NA
+MetaCyc00454	3-ketothreonine [3-K-thr;3-oxothreonine;3-keto-thr;]	C4H7N1O3	117.042593	NA	metacyc	NA	NA
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	HMDB	NA	NA
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	Inhouse_PFEM	NA	NA
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.042594	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00532	Acetylglycine	C4H7NO3	117.042595	NA	HMDB2010	NA	NA
+HMDB06454	L-2-Amino-3-oxobutanoic acid	C4H7NO3	117.042595	NA	HMDB2010	NA	NA
+HMDB12249	L-Aspartate-semialdehyde	C4H7NO3	117.042595	NA	HMDB2010	NA	NA
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.0426	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.0426	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.0426	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR011	2-amino-3-ketobutyric acid	C4H7NO3	117.0426	Wishlist	Inhousejuil11	NA	NA
+C00441	L-Aspartate 4-semialdehyde	C4H7NO3	117.0426	NA	KEGG	NA	NA
+C00444	5'-Phosphooligoribonucleotide	C10H19O16P3R2	117.0426	NA	KEGG	NA	NA
+C03214	2-Amino-3-oxobutanoate	C4H7NO3	117.0426	NA	KEGG	NA	NA
+C03508	L-2-Amino-3-oxobutanoic acid	C4H7NO3	117.0426	NA	KEGG	NA	NA
+HMDB00532	Acetylglycine	C4H7NO3	117.0426	Aromatic/Heterocyclic glycine conjugates  ;SYN:4-Aminohippurate; Aminohippurate; Aminohippuric acid; Chlorphentermine; N-(4-Aminobenzoyl)glycine; N-(p-Aminobenzoyl)aminoacetate; N-(p-Aminobenzoyl)aminoacetic acid; N-(p-Aminobenzoyl)glycine; N-(para-aminobenzoyl)glycine; Nefrotest; PAH; Paha; p-Aminohippurate; p-Aminohippuric acid; para-Aminohippurate; para-Aminohippuric acid; paraaminohippuric acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+CJpos0151	Guanidoacetic acid (and isomer) [(M+H)]+	C3H8N3O2	117.053275	C18rt(min)=0.9 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0151	Guanidoacetic acid (and isomer) [(M+H)]+	C3H8N3O2	117.053275	C18rt(min)=0.9 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00581	Guanidinoacetate	C3H7N3O2	117.0538	NA	KEGG	NA	NA
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	HMDB	NA	NA
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.053825	NA	HMDB2010	NA	NA
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	Inhouse_PFEM	NA	NA
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	Inhousejuil11	NA	NA
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER026	Guanidinoacetic	NA	117.053825	RT 2.10; 2.48 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MJ000777	Guanidinoacetic acid 	C3H7N3O2	117.053826	NA	MeJP	NA	NA
+MJ000778	Guanidinoacetate 	C3H7N3O2	117.053826	NA	MeJP	NA	NA
+MetaCyc00455	guanidinoacetate [N-amidinoglycine;glycocyamine;guanidinoacetic acid;]	C3H7N3O2	117.053826	352-97-6	metacyc	NA	NA
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	http://www.hmdb.ca/metabolites/HMDB00128	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	http://www.hmdb.ca/metabolites/HMDB00128	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	http://www.hmdb.ca/metabolites/HMDB00128	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	http://www.hmdb.ca/metabolites/HMDB00128	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	http://www.hmdb.ca/metabolites/HMDB00128	HMDB	NA	NA
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	NA  ;SYN:(2S)-2-amino-5-(carbamoylamino)pentanoic acid; (S)-2-Amino-5-ureidopentanoate; (S)-2-Amino-5-ureidopentanoic acid; (S)-2-amino-5-(aminocarbonyl)aminopentanoic acid; 2-Amino-5-uredovalerate; 2-Amino-5-uredovaleric acid; 2-Amino-5-ureidovalerate; 2-Amino-5-ureidovaleric acid; A-amino-d-ureidovalerate; A-amino-d-ureidovaleric acid; Alpha-amino-delta-ureidovalerate; Alpha-amino-delta-ureidovaleric acid; Alpha-amino-gamma-ureidovalerate; Alpha-amino-gamma-ureidovaleric acid; Amino-ureidovalerate; Amino-ureidovaleric acid; CIR; CIT; Cytrulline; D-ureidonorvaline; DL-citrulline; Delta-ureidonorvaline; Gammaureidonorvaline; H-cit-oh; L(+)-2-Amino-5-ureidovalerate; L(+)-2-Amino-5-ureidovaleric acid; L(+)-citrulline; L-2-Amino-5-ureido-valerate; L-2-Amino-5-ureido-valeric acid; L-2-Amino-5-ureidovalerate; L-2-Amino-5-ureidovaleric acid; L-N5-carbamoyl-Ornithine; L-citrulline; L-cytrulline; N()-carbamylornithine; N(5)-(aminocarbonyl)-DL-Ornithine; N(delta)-carbamylornithine; N-carbamylornithine; N5-(Aminocarbonyl)-L-ornithine; N5-(Aminocarbonyl)ornithine; N5-(aminocarbonyl)-Ornithine; N5-Carbamoyl-L-ornithine; N5-carbamoylornithine; N5-carbamylornithine; N<SUP>5</SUP>-(aminocarbonyl)ornithine; ND-carbamylornithine; Ndelta-carbamy-ornithine; Ndelta-carbamylornithine; Ngamma-carbamylornithine; Sitrulline; Ureidonorvaline; Ureidovalerate; Ureidovaleric acid; (2S)-2-amino-5-(carbamoylamino)pentanoate; (S)-2-amino-5-(aminocarbonyl)aminopentanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	http://www.hmdb.ca/metabolites/HMDB00128	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00128	Guanidoacetic acid	C3H7N3O2	117.05383	HMDB00128	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0045	Guanidoacetic acid (and isomer) [(M-H)]-	C3H6N3O2	117.054425	C18rt(min)=0.9 Neg identified a,b,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0045	Guanidoacetic acid (and isomer) [(M-H)]-	C3H6N3O2	117.054425	C18rt(min)=0.9 Neg identified a,b,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00463	Indole	C8H7N	117.0578	NA	KEGG	NA	NA
+C00464	Mannan	C8H7N	117.0578	NA	KEGG	NA	NA
+C16074	Phenylacetonitrile	C8H7N	117.0578	NA	KEGG	NA	NA
+HMDB00738	Indole	C8H7N	117.057846	NA	HMDB2010	NA	NA
+MJ000779	Indole 	C8H7N	117.057849	NA	MeJP	NA	NA
+MJ000780	Phenylacetic acid; Nitrile 	C8H7N	117.057849	NA	MeJP	NA	NA
+MetaCyc00456	phenylacetonitrile []	C8H7N1	117.057849	NA	metacyc	NA	NA
+MetaCyc00457	indole []	C8H7N1	117.057849	120-72-9	metacyc	NA	NA
+HMDB00738	Indole	C8H7N	117.05785	http://www.hmdb.ca/metabolites/HMDB00738	HMDB	NA	NA
+HMDB00738	Indole	C8H7N	117.05785	HMDB00738	PFEM_hmdb_metabocards_official	NA	NA
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	PFEM_hmdb_metabocards_urine	NA	urine
+JH004	Betaine [M+H]+	C5H11NO2	117.0781	1.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH004	Betaine [M+H]+	C5H11NO2	117.0781	1.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH004	Betaine [M+H]+	C5H11NO2	117.0781	1.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	HMDB	NA	NA
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	Inhouse_PFEM	NA	NA
+JH004	Betaine [M+H]+	C5H11NO2	117.0781	1.46	Inhousejuil11	NA	NA
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	PFEM_hmdb_metabocards_blood	NA	blood
+JH004	Betaine 	C5H11NO2	117.0781	Rtobs1.46	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0152	Valine Betaine [M+H]+	C5H12O2N	117.078475	C18rt(min)=1.03 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0152	Valine § Betaine [M+H]+	C5H12O2N	117.078475	C18rt(min)=1.03 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR272	Valine F1	NA	117.078675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR272	Valine F1	NA	117.078675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR272	Valine F1	NA	117.078675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR272	Valine F1	NA	117.078675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR272	Valine F1	C5H11NO2	117.078675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ000781	5-Aminopentanoate 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000782	Betaine 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000783	L-Valine 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000784	2-Amino-2-methylbutanoic acid 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000785	3-Hydroxy-2-(hydroxymethyl)pyrrolidine 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000786	3-Methylbutyl nitrite 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000787	Betaine 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000788	Ethyl N-ethylcarbamate 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+MJ000789	Valine 	C5H11NO2	117.078978	NA	MeJP	NA	NA
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	PFEM_hmdb_metabocards_urine	NA	urine
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	HMDB	NA	NA
+HMDB00043	Betaine	C5H11NO2	117.078979	NA	HMDB2010	NA	NA
+HMDB00883	L-Valine	C5H11NO2	117.078979	NA	HMDB2010	NA	NA
+HMDB01382	Vaporole	C5H11NO2	117.078979	NA	HMDB2010	NA	NA
+HMDB02141	N-Methyl-a-aminoisobutyric acid	C5H11NO2	117.078979	NA	HMDB2010	NA	NA
+HMDB03355	5-Aminopentanoic acid	C5H11NO2	117.078979	NA	HMDB2010	NA	NA
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	Inhouse_PFEM	NA	NA
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	Inhousejuil11	NA	NA
+MetaCyc00458	L-2-aminopentanoate [L-2-aminopentanoic acid;L-(+)-2-aminovaleric acid;L-norvaline;norvaline;]	C5H11N1O2	117.078979	6600-40-4	metacyc	NA	NA
+MetaCyc00459	4-methylaminobutyrate []	C5H11N1O2	117.078979	NA	metacyc	NA	NA
+MetaCyc00460	glycine betaine [oxyneurine;lycine;acidin-pepsin;betaine;trimethylammonioacetate;N,N,N-trimethylglycine;]	C5H11N1O2	117.078979	107-43-7	metacyc	NA	NA
+MetaCyc00461	5-aminopentanoate [5-aminovalerate;&delta;-aminovalerate;]	C5H11N1O2	117.078979	660-88-8	metacyc	NA	NA
+MetaCyc00462	L-valine [V;val;valine;]	C5H11N1O2	117.078979	72-18-4	metacyc	NA	NA
+MetaCyc00463	D-valine [2-amino-3-methylbutanoic acid(D);D-2-amino-3-methylbutyric acid;D-2-amino-3-methylbutanoic acid;(R)-valine;]	C5H11N1O2	117.078979	640-68-6	metacyc	NA	NA
+MetaCyc00464	N,N-dimethyl-&beta;-alanine []	C5H11N1O2	117.078979	NA	metacyc	NA	NA
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	PFEM_hmdb_metabocards_blood	NA	blood
+LABER021	betaine	NA	117.078979	RT 2.17-2.48	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00043	Betaine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00043	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00883	L-Valine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00883	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00043	Betaine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00043	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00883	L-Valine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00883	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00043	Betaine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00043	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00883	L-Valine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00883	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00043	Betaine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00043	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00883	L-Valine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00883	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00043	Betaine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00043	HMDB	NA	NA
+HMDB00883	L-Valine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00883	HMDB	NA	NA
+HMDB01382	Vaporole	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB01382	HMDB	NA	NA
+HMDB02141	N-Methyl-a-aminoisobutyric acid	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB02141	HMDB	NA	NA
+HMDB03355	5-Aminopentanoic acid	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB03355	HMDB	NA	NA
+HMDB00043	Betaine	C5H11NO2	117.07898	Short chain acyl carnitines  ;SYN:(+/-)-Propionylcarnitine chloride; (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salt; 3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt; L-Propionylcarnitine; O-Propanoylcarnitine; O-Propionylcarnitine; Propionyl carnitine; propionyl-carnitine;Propionyl-l-carnitineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00883	L-Valine	C5H11NO2	117.07898	NA  ;SYN:( -)-3-Amino-2-thiolanon; ( -)-3-Aminotetrahydro-2-thiophenon; (+-)-3-Aminodihydro-2(3H)-thiophenone; 3-Aminodihydro-2(3H)-thiophenone; DL-3-Aminotetrahydro-2-thiophenone; DL-Homocysteine thiolactone; L-Homocysteine thiolactoneH2Blood	Inhouse_peptide	NA	peptide
+HMDB00043	Betaine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00043	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00883	L-Valine	C5H11NO2	117.07898	http://www.hmdb.ca/metabolites/HMDB00883	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00043	Betaine	C5H11NO2	117.07898	HMDB00043	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00883	L-Valine	C5H11NO2	117.07898	HMDB00883	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01382	Vaporole	C5H11NO2	117.07898	HMDB01382	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02141	N-Methyl-a-aminoisobutyric acid	C5H11NO2	117.07898	HMDB02141	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03355	5-Aminopentanoic acid	C5H11NO2	117.07898	HMDB03355	PFEM_hmdb_metabocards_official	NA	NA
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	PFEM_hmdb_metabocards_urine	NA	urine
+EUR039	Valine	C5H11NO2	117.079	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR039	Valine	C5H11NO2	117.079	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR039	Valine	C5H11NO2	117.079	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	HMDB	NA	NA
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	Inhouse_PFEM	NA	NA
+EUR039	Valine	C5H11NO2	117.079	Wishlist	Inhousejuil11	NA	NA
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	Inhousejuil11	NA	NA
+C00183	L-Valine	C5H11NO2	117.079	NA	KEGG	NA	NA
+C00431	5-Aminopentanoate	C5H11NO2	117.079	NA	KEGG	NA	NA
+C00719	Betaine	C5H11NO2	117.079	NA	KEGG	NA	NA
+C00720	RBr	BrR	117.079	NA	KEGG	NA	NA
+C00721	Dextrin	BrR	117.079	NA	KEGG	NA	NA
+C00722	Epoxide	C2H2OR2	117.079	NA	KEGG	NA	NA
+C00723	Insulin	C2H2OR2	117.079	NA	KEGG	NA	NA
+C01799	D-Norvaline	C5H11NO2	117.079	NA	KEGG	NA	NA
+C01826	L-Norvaline	C5H11NO2	117.079	NA	KEGG	NA	NA
+C03571	2-Amino-2-methylbutanoate	C5H11NO2	117.079	NA	KEGG	NA	NA
+C06417	D-Valine	C5H11NO2	117.079	NA	KEGG	NA	NA
+C07457	Amyl nitrite	C5H11NO2	117.079	NA	KEGG	NA	NA
+C15987	4-Methylaminobutyrate	C5H11NO2	117.079	NA	KEGG	NA	NA
+C16436	Valine	C5H11NO2	117.079	NA	KEGG	NA	NA
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	PFEM_hmdb_metabocards_blood	NA	blood
+LABER017	Valine	C5H11NO2	117.079	RT 2.73 fragt 118, 55, 72	PFEM_hmdb_metabocards_official	NA	NA
+PJ000005	V 	C5H11NO2	117.079	NA	PeJP	NA	NA
+EUR550	betaine	[M+H]+	117.079175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR550	betaine	[M+H]+	117.079175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR550	betaine	[M+H]+	117.079175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR550	betaine	[M+H]+	117.079175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+MJ000790	Boranecarboxylic acid trimethylamine complex 	C4H12BNO2	117.096109	NA	MeJP	NA	NA
+MJ000791	1-Amino-2-methyl-2-propanol; N,N-Di-Me 	C6H15NO	117.115364	NA	MeJP	NA	NA
+MJ000792	1-Hydroxy-N,N,N-trimethyl-2-propanaminium(1+) 	C6H16NO(+)	117.115364	NA	MeJP	NA	NA
+MJ000793	2-Hydroxy-N,N,N-trimethyl-1-propanaminium(1+) 	C6H16NO(+)	117.115364	NA	MeJP	NA	NA
+C13198	Potassium bromide	Br	117.882	NA	KEGG	NA	NA
+MJ000794	Potassium bromide (KBr) 	BrK	117.882044	NA	MeJP	NA	NA
+MJ000795	Chloroform 	CHCl3	117.914383	NA	MeJP	NA	NA
+MetaCyc00465	chloroform [CF;methyl trichloride;formyl trichloride;methane trichloride;methenyl trichloride;trichloroform;trichloromethane;CHCl3;]	C1H1CL3	117.914383	67-66-3	metacyc	NA	NA
+C13827	Chloroform	CHCl3	117.9144	NA	KEGG	NA	NA
+C00830	Oxomalonate	C3H2O5	117.9902	NA	KEGG	NA	NA
+MJ000796	Oxopropanedioic acid 	C3H2O5	117.990223	NA	MeJP	NA	NA
+MetaCyc00466	oxomalonate [oxomalonic acid;ketomalonic acid;mesoxalic acid;]	C3H2O5	117.990223	473-90-5	metacyc	NA	NA
+MetaCyc00467	2-hydroxymalonate [tartronate;]	C3H2O5	117.990223	NA	metacyc	NA	NA
+MJ000797	3-(Methylthio)-2-propenoic acid 	C4H6O2S	118.00885	NA	MeJP	NA	NA
+MetaCyc00468	3-aci-nitropropanoate [3-aci-nitoropropionic acid;]	C3H4N1O4	118.014033	NA	metacyc	NA	NA
+C11119	N-Nitroso-1,3-thiazolidine	C3H6N2OS	118.0201	NA	KEGG	NA	NA
+EUR196	Methylmalonic acid	C4H6O4	118.0266	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR605	Methylmalonic acid 	[M-H]-	118.0266	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR196	Methylmalonic acid	C4H6O4	118.0266	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR605	Methylmalonic acid 	[M-H]-	118.0266	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR196	Methylmalonic acid	C4H6O4	118.0266	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR605	Methylmalonic acid 	[M-H]-	118.0266	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR196	Methylmalonic acid	C4H6O4	118.0266	Wishlist	Inhousejuil11	NA	NA
+EUR605	Methylmalonic acid 	[M-H]-	118.0266	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00042	Succinate	C4H6O4	118.0266	NA	KEGG	NA	NA
+C02170	Methylmalonate	C4H6O4	118.0266	NA	KEGG	NA	NA
+C02171	Mononucleotide	C5H10O7PR	118.0266	NA	KEGG	NA	NA
+C10900	Methyl oxalate	C4H6O4	118.0266	NA	KEGG	NA	NA
+MJ000798	2,3,4-Trihydroxybutanoic acid, 1,4-Lactone 	C4H6O4	118.026608	NA	MeJP	NA	NA
+MJ000799	3-Hydroxy-2-oxobutanoic acid 	C4H6O4	118.026608	NA	MeJP	NA	NA
+MJ000800	4-Hydroxy-2-oxobutanoic acid 	C4H6O4	118.026608	NA	MeJP	NA	NA
+MJ000801	Succinic acid 	C4H6O4	118.026608	NA	MeJP	NA	NA
+MJ000802	Methylmalonate 	C4H6O4	118.026608	NA	MeJP	NA	NA
+MJ000803	Succinate 	C4H6O4	118.026608	NA	MeJP	NA	NA
+MetaCyc00469	D,L-malic semialdehyde []	C4H6O4	118.026609	NA	metacyc	NA	NA
+MetaCyc00470	methylmalonate [Methylmalonic acid;]	C4H6O4	118.026609	516-05-2	metacyc	NA	NA
+MetaCyc00471	succinate [succinic acid;suc;succ;butanedioic acid;ethylenesuccinic acid;]	C4H6O4	118.026609	110-15-6	metacyc	NA	NA
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00202	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00254	Succinic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00254	PFEM_hmdb_metabocards_urine	NA	urine
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00202	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00254	Succinic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00254	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00202	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00254	Succinic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00254	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00202	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00254	Succinic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00254	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00202	HMDB	NA	NA
+HMDB00254	Succinic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00254	HMDB	NA	NA
+HMDB00349	Erythrono-1,4-lactone	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00349	HMDB	NA	NA
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	HMDB	NA	NA
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	Inhouse_PFEM	NA	NA
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	119.03381	Inhouse_sept12	NA	NA
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00202	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00254	Succinic acid	C4H6O4	118.02661	http://www.hmdb.ca/metabolites/HMDB00254	PFEM_hmdb_metabocards_blood	NA	blood
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR196	Methylmalonic acid	C4H6O4	118.02661	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR605	Methylmalonic acid 	C4H6O4	118.02661	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00202	Methylmalonic acid	C4H6O4	118.02661	HMDB00202	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00254	Succinic acid	C4H6O4	118.02661	HMDB00254	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00349	Erythrono-1,4-lactone	C4H6O4	118.02661	HMDB00349	PFEM_hmdb_metabocards_official	NA	NA
+LABER029	Succinic	NA	118.026611	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER029	Succinic	NA	118.026611	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER029	Succinic	NA	118.026611	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER029	Succinic	NA	118.026611	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER029	Succinic	NA	118.026611	NA	HMDB	NA	NA
+HMDB00202	Methylmalonic acid	C4H6O4	118.026611	NA	HMDB2010	NA	NA
+HMDB00254	Succinic acid	C4H6O4	118.026611	NA	HMDB2010	NA	NA
+HMDB00349	Erythrono-1,4-lactone	C4H6O4	118.026611	NA	HMDB2010	NA	NA
+HMDB00940	Threonolactone	C4H6O4	118.026611	NA	HMDB2010	NA	NA
+LABER029	Succinic	NA	118.026611	NA	Inhouse_PFEM	NA	NA
+LABER029	Succinic	NA	118.026611	NA	Inhousejuil11	NA	NA
+LABER029	Succinic	NA	118.026611	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER029	Succinic	NA	118.026611	NA	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0046	Methylmalonic acid [(M-H)]-	C4H5O4	118.027125	C18rt(min)=2.33 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0047	Methylmalonic acid isomer [(M-H)]-	C4H5O4	118.027125	C18rt(min)=1.71 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0048	Threonolactone [(M-H)]-	C4H5O4	118.027125	C18rt(min)=1.96 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0046	Methylmalonic acid [(M-H)]-	C4H5O4	118.027125	C18rt(min)=2.33 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0047	Methylmalonic acid isomer [(M-H)]-	C4H5O4	118.027125	C18rt(min)=1.71 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0048	Threonolactone [(M-H)]-	C4H5O4	118.027125	C18rt(min)=1.96 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C10899	Allophanic acid, methyl ester	C3H6N2O3	118.0378	NA	KEGG	NA	NA
+MJ000804	[(Methylamino)carbonyl]carbamic acid 	C3H6N2O3	118.037842	NA	MeJP	NA	NA
+MetaCyc00472	N-carbamoylglycine [N-carbamoyl glycine;carbamoyl glycine;]	C3H6N2O3	118.037842	NA	metacyc	NA	NA
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR423	Tyrosine F6	NA	118.041275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR423	Tyrosine F6	NA	118.041275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJpos0153	4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(C2H5NO2)]+	C8H7N0O	118.041275	C18rt(min)=6.62 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR423	Tyrosine F6	NA	118.041275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0153	4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(C2H5NO2)]+	C8H7N0O	118.041275	C18rt(min)=6.62 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR423	Tyrosine F6	NA	118.041275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR423	Tyrosine F6	F6	118.041275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH059	Coumaric acid (p-) [M+H-HCOOH]+	NA	118.04133	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH099	Caffeic acid [M+H-HCO2H-OH]+	NA	118.04133	12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH059	Coumaric acid (p-) [M+H-HCOOH]+	NA	118.04133	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH099	Caffeic acid [M+H-HCO2H-OH]+	NA	118.04133	12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH059	Coumaric acid (p-) [M+H-HCOOH]+	NA	118.04133	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH099	Caffeic acid [M+H-HCO2H-OH]+	NA	118.04133	12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH059	Coumaric acid (p-) [M+H-HCOOH]+	NA	118.04133	13.89	Inhousejuil11	NA	NA
+JH099	Caffeic acid [M+H-HCO2H-OH]+	NA	118.04133	12.21	Inhousejuil11	NA	NA
+MJ000805	2,3-Octadiene-5,7-diyn-1-ol 	C8H6O	118.041864	NA	MeJP	NA	NA
+MJ000806	2,4,6-Octatriyn-1-ol 	C8H6O	118.041864	NA	MeJP	NA	NA
+MJ000807	3,5,7-Octatriyn-1-ol 	C8H6O	118.041864	NA	MeJP	NA	NA
+MJ000808	Benzofuran 	C8H6O	118.041864	NA	MeJP	NA	NA
+C14512	Benzofuran	C8H6O	118.0419	NA	KEGG	NA	NA
+MJ000809	2-Methyl-1,3-oxathiane 	C5H10OS	118.045235	NA	MeJP	NA	NA
+MJ000810	Tetrahydro-2-methylthiophene-3-ol 	C5H10OS	118.045235	NA	MeJP	NA	NA
+3176	dipeptidyl-aminopeptidase IV inhibitor	FA	118.0525	MH2+	Inhouse_peptide	NA	peptide
+7583	ACE inhibitor	AF	118.0525	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00473	benzimidazole []	C7H6N2	118.053098	NA	metacyc	NA	NA
+C02009	Benzimidazole	C7H6N2	118.0531	NA	KEGG	NA	NA
+CJpos0154	2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)]+	C5H11O3	118.062475	C18rt(min)=4.58 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0155	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)]+	C5H11O3	118.062475	C18rt(min)=4.06 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0156	Mevalonic acid isomer [(M+H)-(CH2O)]+	C5H11O3	118.062475	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0154	2-hydroxy-2-methylbutyric acid (2-hydroxyisovaleric acid) [(M+H)]+	C5H11O3	118.062475	C18rt(min)=4.58 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0155	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M+H)]+	C5H11O3	118.062475	C18rt(min)=4.06 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0156	Mevalonic acid isomer [(M+H)-(CH2O)]+	C5H11O3	118.062475	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00354	2-Methyl-3-hydroxybutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00354	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00396	2-Ethylhydracrylic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00396	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00754	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01863	2-Hydroxyvaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01863	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01987	2-Hydroxy-2-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01987	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00407	2-Hydroxy-3-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00407	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00754	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00354	2-Methyl-3-hydroxybutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00354	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00396	2-Ethylhydracrylic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00396	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00754	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01863	2-Hydroxyvaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01863	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01987	2-Hydroxy-2-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01987	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00354	2-Methyl-3-hydroxybutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00354	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00396	2-Ethylhydracrylic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00396	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00754	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01863	2-Hydroxyvaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01863	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01987	2-Hydroxy-2-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01987	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00351	3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00351	HMDB	NA	NA
+HMDB00354	2-Methyl-3-hydroxybutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00354	HMDB	NA	NA
+HMDB00396	2-Ethylhydracrylic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00396	HMDB	NA	NA
+HMDB00407	2-Hydroxy-3-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00407	HMDB	NA	NA
+HMDB00410	3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00410	HMDB	NA	NA
+HMDB00531	3-Hydroxyvaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00531	HMDB	NA	NA
+HMDB00642	Erythronilic acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00642	HMDB	NA	NA
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00754	HMDB	NA	NA
+HMDB01863	2-Hydroxyvaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01863	HMDB	NA	NA
+HMDB01987	2-Hydroxy-2-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB01987	HMDB	NA	NA
+HMDB02011	4-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB02011	HMDB	NA	NA
+HMDB00407	2-Hydroxy-3-methylbutyric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00407	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	http://www.hmdb.ca/metabolites/HMDB00754	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00351	3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	C5H10O3	118.06299	HMDB00351	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00354	2-Methyl-3-hydroxybutyric acid	C5H10O3	118.06299	HMDB00354	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00396	2-Ethylhydracrylic acid	C5H10O3	118.06299	HMDB00396	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00407	2-Hydroxy-3-methylbutyric acid	C5H10O3	118.06299	HMDB00407	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00410	3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid	C5H10O3	118.06299	HMDB00410	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00531	3-Hydroxyvaleric acid	C5H10O3	118.06299	HMDB00531	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00642	Erythronilic acid	C5H10O3	118.06299	HMDB00642	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.06299	HMDB00754	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01863	2-Hydroxyvaleric acid	C5H10O3	118.06299	HMDB01863	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01987	2-Hydroxy-2-methylbutyric acid	C5H10O3	118.06299	HMDB01987	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02011	4-Hydroxyisovaleric acid	C5H10O3	118.06299	HMDB02011	PFEM_hmdb_metabocards_official	NA	NA
+MJ000811	2-Hydroxy-3-methylbutanoic acid 	C5H10O3	118.062994	NA	MeJP	NA	NA
+MJ000812	3-Hydroxy-2-methylbutanoic acid 	C5H10O3	118.062994	NA	MeJP	NA	NA
+MJ000813	3-Hydroxypentanoic acid 	C5H10O3	118.062994	NA	MeJP	NA	NA
+MetaCyc00474	5-hydroxypentanoate []	C5H10O3	118.062994	NA	metacyc	NA	NA
+HMDB00351	3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00354	2-Methyl-3-hydroxybutyric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00396	2-Ethylhydracrylic acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00407	2-Hydroxy-3-methylbutyric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00410	3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00531	3-Hydroxyvaleric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00642	Erythronilic acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB00754	3-Hydroxyisovaleric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB01863	2-Hydroxyvaleric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB01987	2-Hydroxy-2-methylbutyric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+HMDB02011	4-Hydroxyisovaleric acid	C5H10O3	118.062996	NA	HMDB2010	NA	NA
+C02804	5-Hydroxypentanoate	C5H10O3	118.063	NA	KEGG	NA	NA
+C02805	5-Oxoprolyl-peptide	C7H9N2O4R	118.063	NA	KEGG	NA	NA
+CJneg0049	2-hydroxy-3-methylbutyric acid  [(M-H)]-	C5H9O3	118.063525	C18rt(min)=4.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0050	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]-	C5H9O3	118.063525	C18rt(min)=4.06 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0051	2-hydroxy-2-methylbutyric acid [(M-H)]-	C5H9O3	118.063525	C18rt(min)=4.58 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0052	(2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)]-	C5H9O3	118.063525	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0049	2-hydroxy-3-methylbutyric acid  [(M-H)]-	C5H9O3	118.063525	C18rt(min)=4.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0050	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]-	C5H9O3	118.063525	C18rt(min)=4.06 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0051	2-hydroxy-2-methylbutyric acid [(M-H)]-	C5H9O3	118.063525	C18rt(min)=4.58 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0052	(2-methoxyethoxy)propanoic acid [(M-H)-(CH2O)]-	C5H9O3	118.063525	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03283	L-2,4-Diaminobutanoate	C4H10N2O2	118.0742	NA	KEGG	NA	NA
+C08291	3-Methylamino-L-alanine	C4H10N2O2	118.0742	NA	KEGG	NA	NA
+HMDB02362	2,4-Diaminobutyric acid	C4H10N2O2	118.074226	NA	HMDB2010	NA	NA
+HMDB06284	L-2,4-diaminobutyric acid	C4H10N2O2	118.074226	NA	HMDB2010	NA	NA
+MJ000814	2,3-Diaminobutanoic acid 	C4H10N2O2	118.074227	NA	MeJP	NA	NA
+MJ000815	2,4-Diaminobutanoic acid 	C4H10N2O2	118.074227	NA	MeJP	NA	NA
+MJ000816	L-2,4-Diaminobutanoate 	C4H10N2O2	118.074227	NA	MeJP	NA	NA
+MetaCyc00475	L-2,4-diaminobutanoate [diaminobutyrate;2,4-diamino-L-butyrate;L-2,4-diaminobutyrate;L-2,4-diaminobutyric acid;]	C4H10N2O2	118.074228	1758-80-1	metacyc	NA	NA
+HMDB02362	2,4-Diaminobutyric acid	C4H10N2O2	118.07423	http://www.hmdb.ca/metabolites/HMDB02362	HMDB	NA	NA
+HMDB03719	L-2,4 diaminobutyric acid	C4H10N2O2	118.07423	http://www.hmdb.ca/metabolites/HMDB03719	HMDB	NA	NA
+HMDB06284	L-2,4-diaminobutyric acid	C4H10N2O2	118.07423	NA  ;SYN:L-N(sup 2)-(Phenylacetyl)glutamine; N(2)-(phenylacetyl)-L-glutamine; Phenylacetyl-l-glutamine; Phenylacetylglutamine; alpha-N-Phenylacetyl-L-glutamineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB02362	2,4-Diaminobutyric acid	C4H10N2O2	118.07423	HMDB02362	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03719	L-2,4 diaminobutyric acid	C4H10N2O2	118.07423	HMDB03719	PFEM_hmdb_metabocards_official	NA	NA
+C14395	alpha-Methylstyrene	C9H10	118.0783	NA	KEGG	NA	NA
+CJpos0157	Valine Betaine [M+H]+ (13C)	C4[13]CH12O2N	118.081775	C18rt(min)=1.03 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0157	Valine § Betaine [M+H]+ (13C)	C4[13]CH12O2N	118.081775	C18rt(min)=1.03 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000817	1,5-Hexanediol 	C6H14O2	118.099379	NA	MeJP	NA	NA
+MJ000818	2,3-Hexanediol 	C6H14O2	118.099379	NA	MeJP	NA	NA
+MJ000819	2-Methyl-2,4-pentanediol 	C6H14O2	118.099379	NA	MeJP	NA	NA
+MetaCyc00476	2-methylcholine []	C6H16N1O1	118.123189	NA	metacyc	NA	NA
+C02224	2-Methylcholine	C6H16NO	118.1232	NA	KEGG	NA	NA
+HMDB01417	Permanganate	MnO4	118.9177	http://www.hmdb.ca/metabolites/HMDB01417	HMDB	NA	NA
+HMDB01417	Permanganate	MnO4	118.9177	HMDB01417	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01417	Permanganate	[MnO4]-	118.917702	NA	HMDB2010	NA	NA
+MJ000820	2-Thiazolidinethione 	C3H5NS2	118.98634	NA	MeJP	NA	NA
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR212	Cysteine F2	NA	119.004075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR214	Cysteine F4	NA	119.004075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR212	Cysteine F2	NA	119.004075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR214	Cysteine F4	NA	119.004075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR212	Cysteine F2	NA	119.004075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR214	Cysteine F4	NA	119.004075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR212	Cystéine F2	F2	119.004075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR214	Cystéine F4	F4	119.004075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR212	Cysteine F2	NA	119.004075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR214	Cysteine F4	NA	119.004075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR212	Cysteine F2	F2	119.004075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR214	Cysteine F4	F4	119.004075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ000821	3-Nitropropanoic acid 	C3H5NO4	119.021857	NA	MeJP	NA	NA
+MJ000822	N-Formyl-N-hydroxyglycine 	C3H5NO4	119.021857	NA	MeJP	NA	NA
+MJ000823	beta-Nitropropanoate 	C3H5NO4	119.021857	NA	MeJP	NA	NA
+HMDB01147	Aminomalonic acid	C3H5NO4	119.021858	NA	HMDB2010	NA	NA
+MetaCyc00477	N-formyl-N-hydroxy-aminoacetate [N-formyl-N-hydroxyglycine;2-(formyl-hydroxy-amino)acetic acid;]	C3H5N1O4	119.021858	NA	metacyc	NA	NA
+MetaCyc00478	aminomalonate []	C3H5N1O4	119.021858	NA	metacyc	NA	NA
+MetaCyc00479	3-nitropropanoate [3-nitropropionate;]	C3H5N1O4	119.021858	504-88-1	metacyc	NA	NA
+HMDB01147	Aminomalonic acid	C3H5NO4	119.02186	http://www.hmdb.ca/metabolites/HMDB01147	HMDB	NA	NA
+HMDB01147	Aminomalonic acid	C3H5NO4	119.02186	HMDB01147	PFEM_hmdb_metabocards_official	NA	NA
+C00872	Aminomalonate	C3H5NO4	119.0219	NA	KEGG	NA	NA
+C03071	3-aci-Nitropropanoate	C3H5NO4	119.0219	NA	KEGG	NA	NA
+C05669	beta-Nitropropanoate	C3H5NO4	119.0219	NA	KEGG	NA	NA
+CJneg0053	Methylmalonic acid isomer [(M-H)]- (13C)	C313CH5O4	119.030525	C18rt(min)=1.71 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0053	Methylmalonic acid isomer [(M-H)]- (13C)	C313CH5O4	119.030525	C18rt(min)=1.71 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000824	1,2-Hydrazinedicarboxylic acid; Monoamide 	C2H5N3O3	119.033091	NA	MeJP	NA	NA
+CJpos0158	4-Pyridoxic acid  isomer [(M+H)-(H2O)-(HCOOH)]+	C7H6NO	119.036575	C18rt(min)=4.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0159	Pyridylacetylglycine [(M+H)-(C2H5NO2)]+	C7H6NO	119.036575	C18rt(min)=4.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0158	4-Pyridoxic acid  isomer [(M+H)-(H2O)-(HCOOH)]+	C7H6NO	119.036575	C18rt(min)=4.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0159	Pyridylacetylglycine [(M+H)-(C2H5NO2)]+	C7H6NO	119.036575	C18rt(min)=4.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc00480	S-acetylthioethanolamine []	C4H9N1O1S1	119.040485	NA	metacyc	NA	NA
+C03537	S-Acetylthioethanolamine	C4H9NOS	119.0405	NA	KEGG	NA	NA
+2882	Immunostimulating peptide	YG	119.042	MH2+	Inhouse_peptide	NA	peptide
+3532	ACE inhibitor	GY	119.042	MH2+	Inhouse_peptide	NA	peptide
+3553	ACE inhibitor	YG	119.042	MH2+	Inhouse_peptide	NA	peptide
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR223	Threonine F1	NA	119.056275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR223	Threonine F1	NA	119.056275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR223	Threonine F1	NA	119.056275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR223	Threonine F1	NA	119.056275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR223	Threonin	C4H9NO3	119.056275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PFEM054F1	L-Threonine	F1	119.0566	NA	Inhouse_original	NA	NA
+CJpos0160	Threonine (and isomer) [M+H]+	C4H10O3N	119.057675	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0160	Threonine (and isomer) [M+H]+	C4H10O3N	119.057675	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	PFEM_hmdb_metabocards_urine	NA	urine
+EUR032	L-Threonine	C4H9NO3	119.0582	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR032	L-Threonine	C4H9NO3	119.0582	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR032	L-Threonine	C4H9NO3	119.0582	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER001	Thréonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	HMDB	NA	NA
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	Inhouse_PFEM	NA	NA
+EUR032	L-Threonine	C4H9NO3	119.0582	Wishlist	Inhousejuil11	NA	NA
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	Inhousejuil11	NA	NA
+C00188	L-Threonine	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C00263	L-Homoserine	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C00264	3-Oxoacyl-CoA	C24H37N7O18P3SR	119.0582	NA	KEGG	NA	NA
+C00820	D-Threonine	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C00821	DNA adenine	C10H14N5O6P	119.0582	NA	KEGG	NA	NA
+C02115	2-Methylserine	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C03678	4-Amino-3-hydroxybutanoate	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C05519	L-Allothreonine	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C11108	(-)-erythro-(2R,3R)-Dihydroxybutylamide	C4H9NO3	119.0582	NA	KEGG	NA	NA
+C12317	D-Allothreonine	C4H9NO3	119.0582	NA	KEGG	NA	NA
+PJ000006	T 	C4H9NO3	119.0582	NA	PeJP	NA	NA
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	PFEM_hmdb_metabocards_blood	NA	blood
+LABER001	Threonin	C4H9NO3	119.0582	RT 1.99 fragt 120, 57, 56, 74, 102	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00167	L-Threonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00167	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00167	L-Threonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00167	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00719	L-Homoserine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00719	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00167	L-Threonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00167	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00167	L-Threonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00167	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00167	L-Threonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00167	HMDB	NA	NA
+HMDB00719	L-Homoserine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00719	HMDB	NA	NA
+HMDB04041	L-Allothreonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB04041	HMDB	NA	NA
+HMDB00167	L-Threonine	C4H9NO3	119.05824	Polypeptides  ;SYN:Des-Asp-1-Angiotensin IIH2Blood	Inhouse_peptide	NA	peptide
+HMDB00167	L-Threonine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00167	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00719	L-Homoserine	C4H9NO3	119.05824	http://www.hmdb.ca/metabolites/HMDB00719	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00167	L-Threonine	C4H9NO3	119.05824	HMDB00167	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00719	L-Homoserine	C4H9NO3	119.05824	HMDB00719	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04041	L-Allothreonine	C4H9NO3	119.05824	HMDB04041	PFEM_hmdb_metabocards_official	NA	NA
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	PFEM_hmdb_metabocards_urine	NA	urine
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	HMDB	NA	NA
+HMDB00167	L-Threonine	C4H9NO3	119.058243	NA	HMDB2010	NA	NA
+HMDB00719	L-Homoserine	C4H9NO3	119.058243	NA	HMDB2010	NA	NA
+HMDB04041	L-Allothreonine	C4H9NO3	119.058243	NA	HMDB2010	NA	NA
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	Inhouse_PFEM	NA	NA
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	Inhousejuil11	NA	NA
+MJ000825	2-Amino-3-hydroxy-2-methylpropanoic acid 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000826	2-Amino-3-hydroxybutanoic acid 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000827	2-Amino-4-hydroxybutanoic acid 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000828	3-Amino-4-hydroxybutanoic acid 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000829	4-Amino-3-hydroxybutanoic acid 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000830	N-(2-Hydroxyethyl)glycine 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000831	Serine, N-Me 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000832	L-Allothreonine 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000833	L-Homoserine 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MJ000834	L-Threonine 	C4H9NO3	119.058243	NA	MeJP	NA	NA
+MetaCyc00481	L-allo-threonine []	C4H9N1O3	119.058243	28954-12-3	metacyc	NA	NA
+MetaCyc00482	2-methylserine []	C4H9N1O3	119.058243	NA	metacyc	NA	NA
+MetaCyc00483	4-amino-3-hydroxybutanoate [4-amino-3-hydroxybutanoic acid;4-amino-3-hydroxobutanoate;]	C4H9N1O3	119.058243	352-21-6	metacyc	NA	NA
+MetaCyc00484	L-threonine [T;thr;thre;L-thr;threonine;2-amino-3-hydroxybutyric acid;]	C4H9N1O3	119.058243	72-19-5	metacyc	NA	NA
+MetaCyc00485	D-threonine [D-thr;2-amino-3-hydroxybutyric acid;]	C4H9N1O3	119.058243	632-20-2	metacyc	NA	NA
+MetaCyc00486	homoserine [homo-ser;L-homoserine;]	C4H9N1O3	119.058243	672-15-1	metacyc	NA	NA
+MetaCyc00487	ch3-serine [CH3-ser;1-CH3-serine;methylserine;1-methylserine;]	C4H9N1O3	119.058243	NA	metacyc	NA	NA
+MetaCyc00488	allothreonine [DL-allothreonine;allo-thr;]	C4H9N1O3	119.058243	2676-21-3	metacyc	NA	NA
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	PFEM_hmdb_metabocards_blood	NA	blood
+LABER058	Homoserine	NA	119.058243	RT 1.97 fragt 120, 44, 56, 74, 102	PFEM_hmdb_metabocards_official	NA	NA
+JH005	Threonine (DL) [M+H]+	C4H9NO3	119.0586	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH005	Threonine (DL) [M+H]+	C4H9NO3	119.0586	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH005	Threonine (DL) [M+H]+	C4H9NO3	119.0586	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH005	Threonine (DL) [M+H]+	C4H9NO3	119.0586	1.28	Inhousejuil11	NA	NA
+CJneg0054	Threonine (and isomer) [(M-H)]-	C4H8O3N	119.058825	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0054	Threonine (and isomer) [(M-H)]-	C4H8O3N	119.058825	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH062	Phenylalanine [M+H-HCOOH]+	NA	119.0628	1.66	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH062	Phenylalanine [M+H-HCOOH]+	NA	119.0628	1.66	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH062	Phenylalanine [M+H-HCOOH]+	NA	119.0628	1.66	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH062	Phenylalanine [M+H-HCOOH]+	NA	119.0628	1.66	Inhousejuil11	NA	NA
+CJneg0055	2-hydroxy-3-methylbutyric acid  [(M-H)]- (13C)	C413CH9O3	119.066925	C18rt(min)=4.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0056	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]- (13C)	C413CH9O3	119.066925	C18rt(min)=4.06 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0057	2-hydroxy-2-methylbutyric acid [(M-H)]- (13C)	C413CH9O3	119.066925	C18rt(min)=4.58 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0055	2-hydroxy-3-methylbutyric acid  [(M-H)]- (13C)	C413CH9O3	119.066925	C18rt(min)=4.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0056	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)]- (13C)	C413CH9O3	119.066925	C18rt(min)=4.06 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0057	2-hydroxy-2-methylbutyric acid [(M-H)]- (13C)	C413CH9O3	119.066925	C18rt(min)=4.58 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR340	Phenylalanine F4	NA	119.070475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR340	Phenylalanine F4	NA	119.070475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR340	Phenylalanine F4	NA	119.070475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR340	Phenylalanine F4	NA	119.070475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR340	Phenylalanine F4	F4	119.070475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0161	Phenylalanine [(M+H)-(HCOOH)]+	C8H10N	119.072975	C18rt(min)=4.46 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0161	Phenylalanine [(M+H)-(HCOOH)]+	C8H10N	119.072975	C18rt(min)=4.46 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000835	1-Amino-3-methyl-2,3-butanediol 	C5H13NO2	119.094628	NA	MeJP	NA	NA
+MJ000836	Tetramethylammonium(1+); Formate 	C5H13NO2	119.094628	NA	MeJP	NA	NA
+MJ000837	Rubidium chloride 	ClRb	119.880642	NA	MeJP	NA	NA
+MJ000838	Strontium peroxide (SrO2) 	O2Sr	119.895443	NA	MeJP	NA	NA
+HMDB01960	Tin	Sn	119.90219	http://www.hmdb.ca/metabolites/HMDB01960	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01960	Tin	Sn	119.90219	http://www.hmdb.ca/metabolites/HMDB01960	HMDB	NA	NA
+HMDB01960	Tin	Sn	119.90219	http://www.hmdb.ca/metabolites/HMDB01960	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01960	Tin	Sn	119.90219	HMDB01960	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01960	Tin	[Sn]4+	119.902191	NA	HMDB2010	NA	NA
+MJ000839	Dichlorodifluoromethane 	CCl2F2	119.934511	NA	MeJP	NA	NA
+MJ000840	Magnesium sulfate 	MgO4S	119.936771	NA	MeJP	NA	NA
+MJ000841	Magnesium phosphate (Mg(HPO4)) 	HMgO4P	119.946286	NA	MeJP	NA	NA
+MJ000842	Sodium phosphate (Na(H2PO4)) 	H2NaO4P	119.958839	NA	MeJP	NA	NA
+C00957	Mercaptopyruvate	C3H4O3S	119.9881	NA	KEGG	NA	NA
+C00958	Plasmenylcholine	C11H21NO7PR2	119.9881	NA	KEGG	NA	NA
+HMDB01368	3-Mercaptopyruvic acid	C3H4O3S	119.98811	http://www.hmdb.ca/metabolites/HMDB01368	HMDB	NA	NA
+HMDB01368	3-Mercaptopyruvic acid	C3H4O3S	119.98811	HMDB01368	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01368	3-Mercaptopyruvic acid	C3H4O3S	119.988113	NA	HMDB2010	NA	NA
+MJ000843	Mercaptopyruvate 	C3H4O3S	119.988114	NA	MeJP	NA	NA
+MetaCyc00489	3-mercaptopyruvate [mercaptopyruvate;3-mercaptopyruvic acid;&beta;-thiopyruvate;&beta;-mercaptopyruvate;]	C3H4O3S1	119.988115	2464-23-5	metacyc	NA	NA
+MJ000844	Aluminium monoacetate dihydroxide 	C2H5AlO4	120.000322	NA	MeJP	NA	NA
+MetaCyc00490	hydroxymalonate []	C3H4O5	120.005873	80-69-3	metacyc	NA	NA
+C02287	Hydroxymalonate	C3H4O5	120.0059	NA	KEGG	NA	NA
+C02288	Reduced insulin	C3H4O5	120.0059	NA	KEGG	NA	NA
+C01871	1,4-Dithiane	C4H8S2	120.0067	NA	KEGG	NA	NA
+C01872	1-Haloalkane	CH2XR	120.0067	NA	KEGG	NA	NA
+C01873	2,5-Arabinan	CH2XR	120.0067	NA	KEGG	NA	NA
+C08383	Methyl allyl disulfide	C4H8S2	120.0067	NA	KEGG	NA	NA
+MJ000845	1,3-Dithiane 	C4H8S2	120.006741	NA	MeJP	NA	NA
+MJ000846	Ethyl vinyl disulfide 	C4H8S2	120.006741	NA	MeJP	NA	NA
+MJ000847	Methyl 1-propenyl disulfide 	C4H8S2	120.006741	NA	MeJP	NA	NA
+MJ000848	Methyl 2-propenyl disulfide 	C4H8S2	120.006741	NA	MeJP	NA	NA
+HMDB00192	L-Cystine	C6H12N2O4S2	120.0119245	MH2+	Inhouse_peptide	NA	peptide
+MJ000849	N-Nitroglycine 	C2H4N2O4	120.017106	NA	MeJP	NA	NA
+CJpos0162	m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O2	120.020575	C18rt(min)=6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0163	o-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O2	120.020575	C18rt(min)=6.4 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0164	p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O2	120.020575	C18rt(min)=4.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0162	m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O2	120.020575	C18rt(min)=6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0163	o-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O2	120.020575	C18rt(min)=6.4 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0164	p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+	C7H5N0O2	120.020575	C18rt(min)=4.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH036	Hydroxybenzoic acid (p-) [M+H-H20]+	NA	120.0206	11.43	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH036	Hydroxybenzoic acid (p-) [M+H-H20]+	NA	120.0206	11.43	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH036	Hydroxybenzoic acid (p-) [M+H-H20]+	NA	120.0206	11.43	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH036	Hydroxybenzoic acid (p-) [M+H-H20]+	NA	120.0206	11.43	Inhousejuil11	NA	NA
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR235	Acide sialique F9	NA	120.021875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR235	Acide sialique F9	NA	120.021875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR235	Acide sialique F9	NA	120.021875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR235	Acide sialique F9	NA	120.021875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR235	Sialic acid F9	F9	120.021875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01527	3-Methylthiopropionic acid	C4H8O2S	120.024498	NA	HMDB2010	NA	NA
+HMDB01527	3-Methylthiopropionic acid	C4H8O2S	120.0245	http://www.hmdb.ca/metabolites/HMDB01527	HMDB	NA	NA
+C08276	3-(Methylthio)propionic acid	C4H8O2S	120.0245	NA	KEGG	NA	NA
+MetaCyc00491	3-methylthiopropionate [3-methylthiopropionic acid;]	C4H8O2S1	120.0245	NA	metacyc	NA	NA
+MetaCyc00492	sulfolane [2,3,4,5-tetrahydrothiophene-1,1-dioxide;1,1-dioxidetetrahydrothiofuran;1,1-dioxothiolan;1,1-dioxidetetrahydrothiophene;bondelane A;bondolane A;cyclic tetramethylene sulfone;cyclotetramethylene sulfone;dihydrobutadiene sulfone;dihydrobutadiene sulphone;dioxothiolan;sulfalone;sulfolan;sulpholane;tetramethylene sulfone;sulphoxaline;tetrahydrothiophene 1,1-dioxide;tetrahydrothiophene 1-dioxide;tetrahydrothiophene dioxide;thiacyclopentane dioxide;thiophene, tetrahydro-, 1,1-dioxide;]	C4H8O2S1	120.0245	126-33-0	metacyc	NA	NA
+MetaCyc00493	3-S-methylthiopropionate [3-methylthiopropionic acid;methyl-3-mercaptopropionate;methyl-&beta;-mercaptopropionate;]	C4H8O2S1	120.0245	NA	metacyc	NA	NA
+HMDB01527	3-Methylthiopropionic acid	C4H8O2S	120.0245	HMDB01527	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0165	Aminonicotinic acid isomers [(M+H)-(H2O)]+	C6H5N2O	120.031775	C18rt(min)=1.06 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0165	Aminonicotinic acid isomers [(M+H)-(H2O)]+	C6H5N2O	120.031775	C18rt(min)=1.06 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000850	4-Diazo-2,5-cyclohexadien-1-one 	C6H4N2O	120.032362	NA	MeJP	NA	NA
+MJ000851	N-Hydroxymethyl-N'-methylthiourea 	C3H8N2OS	120.035733	NA	MeJP	NA	NA
+CJpos0166	4-Pyridoxic acid  isomer [(M+H)-(H2O)-(HCOOH)]+ (13C)	C613CH6NO	120.039875	C18rt(min)=4.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0167	Pyridylacetylglycine [(M+H)-(C2H5NO2)]+ (13C)	C613CH6NO	120.039875	C18rt(min)=4.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0166	4-Pyridoxic acid  isomer [(M+H)-(H2O)-(HCOOH)]+ (13C)	C613CH6NO	120.039875	C18rt(min)=4.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0167	Pyridylacetylglycine [(M+H)-(C2H5NO2)]+ (13C)	C613CH6NO	120.039875	C18rt(min)=4.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000852	Erythrose 	C4H8O4	120.042258	NA	MeJP	NA	NA
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+HMDB00360	2,4-Dihydroxybutanoic acid	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+HMDB00498	4-Deoxyerythronic acid	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+HMDB02453	4-Deoxythreonic acid	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+HMDB02601	A,b-Dihydroxyisobutyric acid	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+HMDB02649	Erythrose	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+HMDB06293	L-Erythrulose	C4H8O4	120.042259	NA	HMDB2010	NA	NA
+MetaCyc00494	L-erythrulose [L-glycero-tetrulose;]	C4H8O4	120.042259	40031-31-0	metacyc	NA	NA
+MetaCyc00495	threose []	C4H8O4	120.042259	29884-64-8	metacyc	NA	NA
+MetaCyc00496	D-erythrose [erythrose;]	C4H8O4	120.042259	1758-51-6	metacyc	NA	NA
+MetaCyc00497	D-erythrulose []	C4H8O4	120.042259	496-55-9	metacyc	NA	NA
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00337	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00360	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00337	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00360	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00337	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00360	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00337	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00360	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00337	HMDB	NA	NA
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00360	HMDB	NA	NA
+HMDB00498	4-Deoxyerythronic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00498	HMDB	NA	NA
+HMDB02453	4-Deoxythreonic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB02453	HMDB	NA	NA
+HMDB02601	a,b-dihydroxyisobutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB02601	HMDB	NA	NA
+HMDB02649	Erythrose	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB02649	HMDB	NA	NA
+HMDB06293	L-Erythrulose	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB06293	HMDB	NA	NA
+HMDB06860	Monoacylglycerol	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB06860	HMDB	NA	NA
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00337	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	http://www.hmdb.ca/metabolites/HMDB00360	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00337	(S)-3,4-Dihydroxybutyric acid	C4H8O4	120.04226	HMDB00337	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00360	2,4-dihydroxybutanoic acid	C4H8O4	120.04226	HMDB00360	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00498	4-Deoxyerythronic acid	C4H8O4	120.04226	HMDB00498	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02453	4-Deoxythreonic acid	C4H8O4	120.04226	HMDB02453	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02601	a,b-dihydroxyisobutyric acid	C4H8O4	120.04226	HMDB02601	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02649	Erythrose	C4H8O4	120.04226	HMDB02649	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06293	L-Erythrulose	C4H8O4	120.04226	HMDB06293	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06860	Monoacylglycerol	C4H8O4	120.04226	HMDB06860	PFEM_hmdb_metabocards_official	NA	NA
+C01796	D-Erythrose	C4H8O4	120.0423	NA	KEGG	NA	NA
+C01798	D-Glucoside	C6H11O6R	120.0423	NA	KEGG	NA	NA
+C02022	D-Erythrulose	C4H8O4	120.0423	NA	KEGG	NA	NA
+C02023	D-Galactoside	C6H11O6R	120.0423	NA	KEGG	NA	NA
+C02045	L-Erythrulose	C4H8O4	120.0423	NA	KEGG	NA	NA
+C06463	D-Threose	C4H8O4	120.0423	NA	KEGG	NA	NA
+CJneg0058	Pentose [(M-H)-(CH2O)]-	C4H7O4	120.042825	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0059	Hexose [(M-H)-(C2H4O2)]-	C4H7O4	120.042825	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0058	Pentose [(M-H)-(CH2O)]-	C4H7O4	120.042825	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0059	Hexose [(M-H)-(C2H4O2)]-	C4H7O4	120.042825	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB01366	Purine	C5H4N4	120.043594	NA	HMDB2010	NA	NA
+MetaCyc00498	purine []	C5H4N4	120.043596	120-73-0	metacyc	NA	NA
+MetaCyc00499	purine-ring []	C5H4N4	120.043596	NA	metacyc	NA	NA
+HMDB01366	Purine	C5H4N4	120.0436	http://www.hmdb.ca/metabolites/HMDB01366	HMDB	NA	NA
+C15587	Purine	C5H4N4	120.0436	NA	KEGG	NA	NA
+HMDB01366	Purine	C5H4N4	120.0436	HMDB01366	PFEM_hmdb_metabocards_official	NA	NA
+MJ000853	2-Amino-3-(aminooxy)propanoic acid 	C3H8N2O3	120.053492	NA	MeJP	NA	NA
+C00601	Phenylacetaldehyde	C8H8O	120.0575	NA	KEGG	NA	NA
+C00602	beta-D-Galactoside	C6H11O6R	120.0575	NA	KEGG	NA	NA
+C02083	Styrene oxide	C8H8O	120.0575	NA	KEGG	NA	NA
+C05627	4-Hydroxystyrene	C8H8O	120.0575	NA	KEGG	NA	NA
+C06758	p-Tolualdehyde	C8H8O	120.0575	NA	KEGG	NA	NA
+C07113	Acetophenone	C8H8O	120.0575	NA	KEGG	NA	NA
+C07209	3-Methylbenzaldehyde	C8H8O	120.0575	NA	KEGG	NA	NA
+C07214	2-Methylbenzaldehyde	C8H8O	120.0575	NA	KEGG	NA	NA
+HMDB04072	4-Hydroxystyrene	C8H8O	120.05751	http://www.hmdb.ca/metabolites/HMDB04072	HMDB	NA	NA
+HMDB06236	Phenylacetaldehyde	C8H8O	120.05751	http://www.hmdb.ca/metabolites/HMDB06236	HMDB	NA	NA
+HMDB04072	4-Hydroxystyrene	C8H8O	120.05751	HMDB04072	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06236	Phenylacetaldehyde	C8H8O	120.05751	HMDB06236	PFEM_hmdb_metabocards_official	NA	NA
+MJ000854	4-Vinylphenol 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000855	7-Octene-3,5-diyn-1-ol 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000856	Acetophenone 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000857	Phenylacetaldehyde 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000858	2-Methylbenzaldehyde 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000859	3-Methylbenzaldehyde 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000860	4-Hydroxystyrene 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000861	Acetophenone 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000862	Phenylacetaldehyde 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000863	Styrene oxide 	C8H8O	120.057514	NA	MeJP	NA	NA
+MJ000864	p-Tolualdehyde 	C8H8O	120.057514	NA	MeJP	NA	NA
+MetaCyc00500	phenylacetaldehyde []	C8H8O1	120.057515	122-78-1	metacyc	NA	NA
+MetaCyc00501	styrene oxide []	C8H8O1	120.057515	96-09-3	metacyc	NA	NA
+MetaCyc00502	4-vinylphenol [4-hydroxystyrene;]	C8H8O1	120.057515	NA	metacyc	NA	NA
+MetaCyc00503	acetophenone [phenylmethylketone;methylphenylketone;]	C8H8O1	120.057515	98-86-2	metacyc	NA	NA
+HMDB04072	4-Hydroxystyrene	C8H8O	120.057518	NA	HMDB2010	NA	NA
+HMDB06236	Phenylacetaldehyde	C8H8O	120.057518	NA	HMDB2010	NA	NA
+MJ000865	2-Mercapto-3-methyl-1-butanol 	C5H12OS	120.060885	NA	MeJP	NA	NA
+HMDB00194	Anserine	C10H16N4O3	120.061119	MH2+	Inhouse_peptide	NA	peptide
+CJpos0168	Urea [(2M+H)]+	C2H9N4O2	120.064175	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0168	Urea [(2M+H)]+	C2H9N4O2	120.064175	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01784	Benzamidine	C7H8N2	120.0687	NA	KEGG	NA	NA
+CJpos0169	Phenylalanine [(M+H)-(HCOOH)]+ (13C)	C7[13]CH10N	120.076275	C18rt(min)=4.46 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0169	Phenylalanine [(M+H)-(HCOOH)]+ (13C)	C7[13]CH10N	120.076275	C18rt(min)=4.46 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C14396	Cumene	C9H12	120.0939	NA	KEGG	NA	NA
+C14508	Mesitylene	C9H12	120.0939	NA	KEGG	NA	NA
+C14518	1,2,3-Trimethylbenzene	C9H12	120.0939	NA	KEGG	NA	NA
+C14522	3-Ethyltoluene	C9H12	120.0939	NA	KEGG	NA	NA
+C14533	1,2,4-Trimethylbenzene	C9H12	120.0939	NA	KEGG	NA	NA
+C14572	2-Ethyltoluene	C9H12	120.0939	NA	KEGG	NA	NA
+MJ000866	1,2,4-Tris(methylene)cyclohexane 	C9H12	120.0939	NA	MeJP	NA	NA
+MJ000867	3,5-Nonadiyne 	C9H12	120.0939	NA	MeJP	NA	NA
+MJ000868	Isopropylbenzene 	C9H12	120.0939	NA	MeJP	NA	NA
+MetaCyc00504	pseudocumene [psi-cumene;1,2,4-trimethylbenzene;1,2,5-trimethylbenzene;1,3,4-trimethylbenzene;asymmetrical trimethylbenzene;pseudocumol;as-trimethylbenzene;uns-trimethylbenzene;]	C9H12	120.0939	NA	metacyc	NA	NA
+MetaCyc00505	betaine aldehyde hydrate []	C5H14N1O2	120.102454	NA	metacyc	NA	NA
+C07345	Betaine aldehyde hydrate	C5H14NO2	120.1025	NA	KEGG	NA	NA
+HMDB04118	Antimony	[Sb]3+	120.903809	NA	HMDB2010	NA	NA
+MetaCyc00506	xanthate []	C3H5O1S2	120.978181	NA	metacyc	NA	NA
+MJ000869	3-Mercaptolactate 	C3H5O3S	120.995939	NA	MeJP	NA	NA
+MJ000870	Dihydro-4H-1,3,5-dithiazine 	C3H7NS2	121.00199	NA	MeJP	NA	NA
+PFEM031F1	cysteine	F1	121.0133	NA	Inhouse_original	NA	NA
+CJpos0170	Aminonicotinic acid isomers [(M+H)-(NH3)]+	C6H4NO2	121.015875	C18rt(min)=1.06 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0170	Aminonicotinic acid isomers [(M+H)-(NH3)]+	C6H4NO2	121.015875	C18rt(min)=1.06 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR211	Cysteine F1	NA	121.018375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR211	Cysteine F1	NA	121.018375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR211	Cysteine F1	NA	121.018375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR211	Cysteine F1	NA	121.018375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR211	Cysteine F1	C3H7NO2S	121.018375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH006	Cysteine (L-) [M+H]+	C3H7NO2S	121.0195	1.27	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH006	Cysteine (L-) [M+H]+	C3H7NO2S	121.0195	1.27	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH006	Cysteine (L-) [M+H]+	C3H7NO2S	121.0195	1.27	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH006	Cysteine (L-) [M+H]+	C3H7NO2S	121.0195	1.27	Inhousejuil11	NA	NA
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	PFEM_hmdb_metabocards_urine	NA	urine
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	HMDB	NA	NA
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	Inhouse_PFEM	NA	NA
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	Inhousejuil11	NA	NA
+C00097	L-Cysteine	C3H7NO2S	121.0197	NA	KEGG	NA	NA
+C00098	Oligopeptide	C2H4NO2R	121.0197	NA	KEGG	NA	NA
+C00736	Cysteine	C3H7NO2S	121.0197	NA	KEGG	NA	NA
+C00793	D-Cysteine	C3H7NO2S	121.0197	NA	KEGG	NA	NA
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	PFEM_hmdb_metabocards_blood	NA	blood
+LABER011	Cysteine	C3H7NO2S	121.0197	RT 2.11 fragt 122, 59, 76, 87	PFEM_hmdb_metabocards_official	NA	NA
+MJ000871	3-Amino-2-mercaptopropanoic acid 	C3H7NO2S	121.019749	NA	MeJP	NA	NA
+MJ000872	Cysteine 	C3H7NO2S	121.019749	NA	MeJP	NA	NA
+MJ000873	D-Cysteine 	C3H7NO2S	121.019749	NA	MeJP	NA	NA
+MJ000874	L-Cysteine 	C3H7NO2S	121.019749	NA	MeJP	NA	NA
+MetaCyc00507	L-cysteine [C;carbocysteine;cysteine;Cys;]	C3H7N1O2S1	121.019749	52-90-4	metacyc	NA	NA
+MetaCyc00508	D-cysteine []	C3H7N1O2S1	121.019749	921-01-7	metacyc	NA	NA
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB00574	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB00574	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB00574	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB00574	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB00574	HMDB	NA	NA
+HMDB03417	D-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB03417	HMDB	NA	NA
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	NA  ;SYN:2-Acetylamino-3-mercapto-propionate; 2-Acetylamino-3-mercapto-propionic acid;  Acetadote; Acetilcisteina; Acetylcysteine; Acetylcysteinum; Fluimicil Infantil; Fluimucetin;  Flumucetin; Fluprowit;  L-Acetylcysteine; Mercapturic acid; N-Acety-L-Cysteine; N-Acetyl-3-mercaptoalanine; N-Acetyl-L-(+)-cysteine;  N-Acetylcysteine; Sodium 2-acetamido-3-mercaptopropionateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	http://www.hmdb.ca/metabolites/HMDB00574	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00574	L-Cysteine	C3H7NO2S	121.01975	HMDB00574	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03417	D-Cysteine	C3H7NO2S	121.01975	HMDB03417	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00574	L-Cysteine	C3H7NO2S	121.019753	NA	HMDB2010	NA	NA
+HMDB03417	D-Cysteine	C3H7NO2S	121.019753	NA	HMDB2010	NA	NA
+EUR019	cysteine	C3H7NO2S	121.0198	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR019	cysteine	C3H7NO2S	121.0198	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR019	cysteine	C3H7NO2S	121.0198	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR019	cysteine	C3H7NO2S	121.0198	Wishlist	Inhousejuil11	NA	NA
+PJ000007	C 	C3H7NO2S	121.0198	NA	PeJP	NA	NA
+CJpos0171	m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C)	C613CH5N0O2	121.023975	C18rt(min)=6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0172	p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C)	C613CH5N0O2	121.023975	C18rt(min)=4.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0171	m-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C)	C613CH5N0O2	121.023975	C18rt(min)=6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0172	p-Hydroxyhippuric acid [(M+H)-(C2H5NO2)]+ (13C)	C613CH5N0O2	121.023975	C18rt(min)=4.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03392	Dimethylsulfonioacetate	C4H9O2S	121.0323	NA	KEGG	NA	NA
+MetaCyc00509	dimethylsulfonioacetate [carboxymethyl-dimethyl-sulfonium;]	C4H9O2S1	121.032325	NA	metacyc	NA	NA
+CJneg0060	Hexose [(M-H)-(C2H4O2)]- (13C)	C313CH7O4	121.046125	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0060	Hexose [(M-H)-(C2H4O2)]- (13C)	C313CH7O4	121.046125	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB04461	Benzamide	C7H7NO	121.05276	http://www.hmdb.ca/metabolites/HMDB04461	HMDB	NA	NA
+HMDB04461	Benzamide	C7H7NO	121.05276	HMDB04461	PFEM_hmdb_metabocards_official	NA	NA
+MJ000875	2-Aminobenzaldehyde 	C7H7NO	121.052763	NA	MeJP	NA	NA
+MJ000876	Benzamide 	C7H7NO	121.052763	NA	MeJP	NA	NA
+HMDB04461	Benzamide	C7H7NO	121.052765	NA	HMDB2010	NA	NA
+C09815	Benzamide	C7H7NO	121.0528	NA	KEGG	NA	NA
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR250	Thiamine monophosphate F4	NA	121.059775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR250	Thiamine monophosphate F4	NA	121.059775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR250	Thiamine monophosphate F4	NA	121.059775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR250	Thiamine monophosphate F4	NA	121.059775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR250	Thiamin monophosphate F4	F4	121.059775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR244	Thiamine pyrophosphate F6	NA	121.062575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR244	Thiamine pyrophosphate F6	NA	121.062575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR244	Thiamine pyrophosphate F6	NA	121.062575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR244	Thiamine pyrophosphate F6	NA	121.062575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR244	Thiamin pyrophosphate F6	F6	121.062575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0173	Urea [(2M+H)]+ (13C)	C13CH9N4O2	121.067575	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0173	Urea [(2M+H)]+ (13C)	C13CH9N4O2	121.067575	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0174	Aminobutyric acid (and isomers) [(M+H)+(H2O)]+	C4H12NO3	121.073375	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0174	Aminobutyric acid (and isomers) [(M+H)+(H2O)]+	C4H12NO3	121.073375	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000877	2-Amino-2-(hydroxymethyl)-1,3-propanediol 	C4H11NO3	121.073893	NA	MeJP	NA	NA
+MetaCyc00510	Tris [tris(hydroxymethyl)amino methane;]	C4H11N1O3	121.073893	NA	metacyc	NA	NA
+C07182	Tromethamine	C4H11NO3	121.0739	NA	KEGG	NA	NA
+C07183	Transferred to D00397	C4H11NO3	121.0739	NA	KEGG	NA	NA
+CJpos0175	Nicotine [(M+H)-(C2H3N)]+	C8H12N	121.088575	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0175	Nicotine [(M+H)-(C2H3N)]+	C8H12N	121.088575	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02455	1-Phenylethylamine	C8H11N	121.0891	NA	KEGG	NA	NA
+C02456	Phosphorhodopsin	C8H11N	121.0891	NA	KEGG	NA	NA
+C02846	N,N-Dimethylaniline	C8H11N	121.0891	NA	KEGG	NA	NA
+C02847	N-Acetyl amino acid	C4H6NO3R	121.0891	NA	KEGG	NA	NA
+C02848	N-Acetyl-D-galactosaminide	C8H14NO6R	121.0891	NA	KEGG	NA	NA
+C02850	N-Acyl-L-amino acid	C3H3NO3R2	121.0891	NA	KEGG	NA	NA
+C02851	N-Acyl-L-citrulline	C7H12N3O4R	121.0891	NA	KEGG	NA	NA
+C05332	Phenethylamine	C8H11N	121.0891	NA	KEGG	NA	NA
+C11003	2,4-Dimethylaniline	C8H11N	121.0891	NA	KEGG	NA	NA
+C11004	2,6-Dimethylaniline	C8H11N	121.0891	NA	KEGG	NA	NA
+C14455	N-Ethylaniline	C8H11N	121.0891	NA	KEGG	NA	NA
+HMDB01020	N,N-Dimethylaniline	C8H11N	121.089149	NA	HMDB2010	NA	NA
+HMDB02017	1-Phenylethylamine	C8H11N	121.089149	NA	HMDB2010	NA	NA
+HMDB12275	Phenylethylamine	C8H11N	121.089149	NA	HMDB2010	NA	NA
+MJ000878	2-Phenylethylamine 	C8H11N	121.089149	NA	MeJP	NA	NA
+MJ000879	Benzylamine; N-Me 	C8H11N	121.089149	NA	MeJP	NA	NA
+MJ000880	Phenethylamine 	C8H11N	121.089149	NA	MeJP	NA	NA
+MetaCyc00511	N,N-dimethylaniline []	C8H11N1	121.089149	121-69-7	metacyc	NA	NA
+MetaCyc00512	phenylethylamine [Phenethylamine;&beta;-phenylethylamine;phenylethylamine;2-phenylethylamine;]	C8H11N1	121.089149	64-04-0	metacyc	NA	NA
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB02017	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB02017	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB02017	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB02017	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01020	N,N-Dimethylaniline	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB01020	HMDB	NA	NA
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB02017	HMDB	NA	NA
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	http://www.hmdb.ca/metabolites/HMDB02017	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01020	N,N-Dimethylaniline	C8H11N	121.08915	HMDB01020	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02017	Benzeneethanamine	C8H11N	121.08915	HMDB02017	PFEM_hmdb_metabocards_official	NA	NA
+3342	ACE inhibitor	GPA	121.555	MH2+	Inhouse_peptide	NA	peptide
+7837	ACE inhibitor	PQ	121.555	MH2+	Inhouse_peptide	NA	peptide
+7810	ACE inhibitor from anchovy and bonito	KP	121.573	MH2+	Inhouse_peptide	NA	peptide
+8218	Antioxidative peptide	KP	121.573	MH2+	Inhouse_peptide	NA	peptide
+HMDB02366	Tiglylcarnitine	C12H21NO4	121.573532	MH2+	Inhouse_peptide	NA	peptide
+MJ000881	Aluminium phosphate (1:1) 	AlO4P	121.934958	NA	MeJP	NA	NA
+C14870	2-Bromoacetaldehyde	C2H3BrO	121.9367	NA	KEGG	NA	NA
+MJ000882	Sodium perchlorate 	ClNaO4	121.93828	NA	MeJP	NA	NA
+HMDB12216	Dimethylarsinous acid	C2H7AsO	121.971283	NA	HMDB2010	NA	NA
+MetaCyc00513	dimethylarsinous acid [DMAIII;]	C2H7O1AS1	121.971286	NA	metacyc	NA	NA
+MJ000883	1-Bromopropane 	C3H7Br	121.973112	NA	MeJP	NA	NA
+MJ000884	1,2-Dithiolan-4-ol 	C3H6OS2	121.986006	NA	MeJP	NA	NA
+HMDB02127	3-Mercaptolactic acid	C3H6O3S	122.003761	NA	HMDB2010	NA	NA
+HMDB02127	3-Mercaptolactic acid	C3H6O3S	122.00377	http://www.hmdb.ca/metabolites/HMDB02127	HMDB	NA	NA
+HMDB02127	3-Mercaptolactic acid	C3H6O3S	122.00377	HMDB02127	PFEM_hmdb_metabocards_official	NA	NA
+C05823	3-Mercaptolactate	C3H6O3S	122.0038	NA	KEGG	NA	NA
+MJ000885	Diethyl disulfide 	C4H10S2	122.022391	NA	MeJP	NA	NA
+MetaCyc00514	nicotinate [3-pyridinecarboxylic acid;nicotinic acid;wampocap;nicolar;nicocap;nicobid;nico-400-;nicamin;niacin;niacine;vitamin B3;]	C6H4N1O2	122.024203	59-67-6	metacyc	NA	NA
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR422	Tyrosine F5	NA	122.035275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR422	Tyrosine F5	NA	122.035275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR422	Tyrosine F5	NA	122.035275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR422	Tyrosine F5	NA	122.035275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR422	Tyrosine F5	F5	122.035275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH068	Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+	NA	122.0362	11.86	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH068	Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+	NA	122.0362	11.86	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH068	Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+	NA	122.0362	11.86	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH068	Dihydroxyphenyl acetic acid (3,4-) [M+H-HCOOH]+	NA	122.0362	11.86	Inhousejuil11	NA	NA
+MJ000886	4-Hydroxybenzaldehyde 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000887	Benzoate 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000888	Salicylaldehyde 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000889	2-Hydroxybenzaldehyde 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000890	2-Methyl-1,4-benzoquinone 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000891	4-Hydroxybenzaldehyde 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000892	Benzoic acid 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MJ000893	Tropolone 	C7H6O2	122.036779	NA	MeJP	NA	NA
+MetaCyc00515	salicylaldehyde []	C7H6O2	122.036779	NA	metacyc	NA	NA
+MetaCyc00516	tropolone [Tropomyosins;]	C7H6O2	122.036779	NA	metacyc	NA	NA
+MetaCyc00517	4-hydroxybenzaldehyde [p-Hydroxybenzaldehyde;]	C7H6O2	122.036779	123-08-0	metacyc	NA	NA
+MetaCyc00518	3-hydroxybenzaldehyde []	C7H6O2	122.036779	100-83-4	metacyc	NA	NA
+MetaCyc00519	benzoate [benzoic acid;benzenecarboxylic acid;phenylformic acid;]	C7H6O2	122.036779	65-85-0	metacyc	NA	NA
+HMDB01870	Benzoic acid	C7H6O2	122.03678	http://www.hmdb.ca/metabolites/HMDB01870	HMDB	NA	NA
+HMDB01870	Benzoic acid	C7H6O2	122.03678	HMDB01870	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01870	Benzoic acid	C7H6O2	122.036781	NA	HMDB2010	NA	NA
+HMDB11718	4-Hydroxybenzaldehyde	C7H6O2	122.036781	NA	HMDB2010	NA	NA
+JH201	Catechin (fragment1)	NA	122.0368	11.34	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH201	Catechin (fragment1)	NA	122.0368	11.34	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH201	Catechin (fragment1)	NA	122.0368	11.34	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH201	Catechin (fragment1)	NA	122.0368	11.34	Inhousejuil11	NA	NA
+C00180	Benzoate	C7H6O2	122.0368	NA	KEGG	NA	NA
+C00539	Aromatic acid	C7H6O2	122.0368	NA	KEGG	NA	NA
+C00633	4-Hydroxybenzaldehyde	C7H6O2	122.0368	NA	KEGG	NA	NA
+C00634	Chondroitin 4-sulfate	C7H6O2	122.0368	NA	KEGG	NA	NA
+C00635	Chondroitin 6-sulfate	C7H6O2	122.0368	NA	KEGG	NA	NA
+C03067	3-Hydroxybenzaldehyde	C7H6O2	122.0368	NA	KEGG	NA	NA
+C06202	Salicylaldehyde	C7H6O2	122.0368	NA	KEGG	NA	NA
+C15474	Tropolone	C7H6O2	122.0368	NA	KEGG	NA	NA
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	PFEM_hmdb_metabocards_urine	NA	urine
+JH007	Benzoic acid [M+H]+	C7H6O2	122.0371	14.38	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH007	Benzoic acid [M+H]+	C7H6O2	122.0371	14.38	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH007	Benzoic acid [M+H]+	C7H6O2	122.0371	14.38	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	HMDB	NA	NA
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	Inhouse_PFEM	NA	NA
+JH007	Benzoic acid [M+H]+	C7H6O2	122.0371	14.38	Inhousejuil11	NA	NA
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	PFEM_hmdb_metabocards_blood	NA	blood
+JH007	Benzoic acid 	C7H6O2	122.0371	Rtobs14.38	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0061	Benzoic acid isomer [M-H]-	C7H5O2	122.037325	C18rt(min)=5.38 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0061	Benzoic acid isomer [M-H]-	C7H5O2	122.037325	C18rt(min)=5.38 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PFEM062F1	Nicotinamide	F1	122.0396	NA	Inhouse_original	NA	NA
+MJ000894	2,2'-Thiobisethanol 	C4H10O2S	122.04015	NA	MeJP	NA	NA
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	NA	122.043075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	NA	122.043075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	NA	122.043075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR315	Nicotinamide adénine di nucléotide phosphate F8	F8	122.043075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	NA	122.043075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR315	Nicotinamide adenine di nucleotide phosphate F8	F8	122.043075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR279	Nicotinamide F1	NA	122.045675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0062	Hexose [(M-H)-(C2H4O2)]- (18O)	C4H7O318O	122.047025	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0062	Hexose [(M-H)-(C2H4O2)]- (18O)	C4H7O318O	122.047025	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0176	Nicotinamide [(M+H)]+	C6H7N2O	122.047475	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0176	Nicotinamide [(M+H)]+	C6H7N2O	122.047475	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR048	Nicotinamide	C6H6N2O	122.048	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR048	Nicotinamide	C6H6N2O	122.048	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR048	Nicotinamide	C6H6N2O	122.048	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR048	Nicotinamide	C6H6N2O	122.048	Wishlist	Inhousejuil11	NA	NA
+C00153	Nicotinamide	C6H6N2O	122.048	NA	KEGG	NA	NA
+C01950	Picolinamide	C6H6N2O	122.048	NA	KEGG	NA	NA
+C02421	Isonicotineamide	C6H6N2O	122.048	NA	KEGG	NA	NA
+C02424	L-Arginine ester	C6H13N4O2R	122.048	NA	KEGG	NA	NA
+HMDB01406	Niacinamide	C6H6N2O	122.04801	http://www.hmdb.ca/metabolites/HMDB01406	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01406	Niacinamide	C6H6N2O	122.04801	http://www.hmdb.ca/metabolites/HMDB01406	HMDB	NA	NA
+HMDB01406	Niacinamide	C6H6N2O	122.04801	http://www.hmdb.ca/metabolites/HMDB01406	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01406	Niacinamide	C6H6N2O	122.04801	HMDB01406	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01406	Niacinamide	C6H6N2O	122.048012	NA	HMDB2010	NA	NA
+MJ000895	Nicotinamide 	C6H6N2O	122.048012	NA	MeJP	NA	NA
+MJ000896	3-Pyridinecarboxamide 	C6H6N2O	122.048012	NA	MeJP	NA	NA
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	HMDB	NA	NA
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc00520	nicotinamide [6-aminonicotinamide;vitamin PP;niacinamide;]	C6H6N2O1	122.048013	98-92-0	metacyc	NA	NA
+MetaCyc00521	E-pyridine-3-aldoxime []	C6H6N2O1	122.048013	NA	metacyc	NA	NA
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR048	Nicotinamide	C6H6N2O	122.048013	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+C16200	Phenylboronic acid	C6H7BO2	122.0539	NA	KEGG	NA	NA
+C00503	Erythritol	C4H10O4	122.0579	NA	KEGG	NA	NA
+C16884	D-Threitol	C4H10O4	122.0579	NA	KEGG	NA	NA
+HMDB02994	Erythritol	C4H10O4	122.057907	NA	HMDB2010	NA	NA
+HMDB04136	D-Threitol	C4H10O4	122.057907	NA	HMDB2010	NA	NA
+MJ000897	Erythritol 	C4H10O4	122.057908	NA	MeJP	NA	NA
+MJ000898	Threitol 	C4H10O4	122.057908	NA	MeJP	NA	NA
+MetaCyc00522	erythritol [1,2,3, 4-Tetrahydroxybutane;1,2,3,4-Butanetetrol, (R*,S*)-;Phycitol;Erythritol, meso-;Erythrol;Erythrit;Butanetetrol;meso-Erythritol;1,2,3,4-butanetetrol;]	C4H10O4	122.057909	149-32-6	metacyc	NA	NA
+MetaCyc00523	D-erythritol []	C4H10O4	122.057909	NA	metacyc	NA	NA
+MetaCyc00524	L-threitol []	C4H10O4	122.057909	2319-57-5	metacyc	NA	NA
+HMDB02994	Erythritol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB02994	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04136	D-Threitol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB04136	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02994	Erythritol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB02994	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04136	D-Threitol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB04136	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02994	Erythritol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB02994	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04136	D-Threitol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB04136	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02994	Erythritol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB02994	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04136	D-Threitol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB04136	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02994	Erythritol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB02994	HMDB	NA	NA
+HMDB04136	D-Threitol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB04136	HMDB	NA	NA
+HMDB02994	Erythritol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB02994	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04136	D-Threitol	C4H10O4	122.05791	http://www.hmdb.ca/metabolites/HMDB04136	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02994	Erythritol	C4H10O4	122.05791	HMDB02994	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04136	D-Threitol	C4H10O4	122.05791	HMDB04136	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0177	Urea [(2M+H)]+ (18O)	C2H9N4O18O	122.068375	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0177	Urea [(2M+H)]+ (18O)	C2H9N4O18O	122.068375	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000899	1-Phenylethanol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000900	2-Methylbenzyl alcohol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000901	3-Methylbenzyl alcohol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000902	4-Methylbenzyl alcohol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000903	Phenylethylalcohol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000904	1-Phenylethanol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000905	2,3-Dimethyl-5-methylene-2-cyclopenten-1-one 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000906	2,3-Dimethylphenol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000907	2,5-Dimethylphenol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000908	2,6-Dimethylphenol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000909	2-Phenylethanol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000910	4-Ethylphenol 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000911	4-Methylphenol; Me ether 	C8H10O	122.073164	NA	MeJP	NA	NA
+MJ000912	6-Methyl-5-hepten-3-yn-2-one 	C8H10O	122.073164	NA	MeJP	NA	NA
+MetaCyc00525	S-1-phenylethanol []	C8H10O1	122.073165	NA	metacyc	NA	NA
+MetaCyc00526	R-1-phenylethanol [benzenemethanol, &alpha;-methyl,(R)-,;(R)-&alpha;-methylbenzyl alcohol;]	C8H10O1	122.073165	NA	metacyc	NA	NA
+MetaCyc00527	2-phenylethanol [benzeneethanol;phenethanol;]	C8H10O1	122.073165	NA	metacyc	NA	NA
+MetaCyc00528	1-phenylethanol []	C8H10O1	122.073165	NA	metacyc	NA	NA
+C05853	Phenylethyl alcohol	C8H10O	122.0732	NA	KEGG	NA	NA
+C06757	4-Methylbenzyl alcohol	C8H10O	122.0732	NA	KEGG	NA	NA
+C07112	1-Phenylethanol	C8H10O	122.0732	NA	KEGG	NA	NA
+C07213	2-Methylbenzyl alcohol	C8H10O	122.0732	NA	KEGG	NA	NA
+C07216	3-Methylbenzyl alcohol	C8H10O	122.0732	NA	KEGG	NA	NA
+C07217	Transferred to D00414	C8H10O	122.0732	NA	KEGG	NA	NA
+C11348	(S)-1-Phenylethanol	C8H10O	122.0732	NA	KEGG	NA	NA
+C11349	Amino group donor	C8H10O	122.0732	NA	KEGG	NA	NA
+C13637	4-Ethylphenol	C8H10O	122.0732	NA	KEGG	NA	NA
+C14385	2-Ethylphenol	C8H10O	122.0732	NA	KEGG	NA	NA
+C14386	3-Ethylphenol	C8H10O	122.0732	NA	KEGG	NA	NA
+C14582	2,4-Dimethylphenol	C8H10O	122.0732	NA	KEGG	NA	NA
+3182	dipeptidyl-aminopeptidase IV inhibitor	LL	122.084	MH2+	Inhouse_peptide	NA	peptide
+8323	Glucose uptake stimulating peptide	IL	122.084	MH2+	Inhouse_peptide	NA	peptide
+8324	Glucose uptake stimulating peptide	LI	122.084	MH2+	Inhouse_peptide	NA	peptide
+8325	Glucose uptake stimulating peptide	II	122.084	MH2+	Inhouse_peptide	NA	peptide
+8326	Glucose uptake stimulating peptide	LL	122.084	MH2+	Inhouse_peptide	NA	peptide
+MJ000913	Trimethylpyrazine 	C7H10N2	122.084398	NA	MeJP	NA	NA
+C14401	2,4-Diaminotoluene	C7H10N2	122.0844	NA	KEGG	NA	NA
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR408	Acide retinoique F6	NA	122.106875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR408	Acide retinoique F6	NA	122.106875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR408	Acide retinoique F6	NA	122.106875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR408	Acide retinoique F6	NA	122.106875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR408	Retinoic acid F6	F6	122.106875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ000914	2,3-Dimethylbicyclo[2.2.1]hept-2-ene 	C9H14	122.10955	NA	MeJP	NA	NA
+7832	ACE inhibitor	LN	122.56345	MH2+	Inhouse_peptide	NA	peptide
+4005	NA	RA	122.569	MH2+	Inhouse_peptide	NA	peptide
+7588	ACE inhibitor	RA	122.569	MH2+	Inhouse_peptide	NA	peptide
+7742	ACE inhibitor	AR	122.569	MH2+	Inhouse_peptide	NA	peptide
+7558	ACE inhibitor from buckwheat	VK	122.581	MH2+	Inhouse_peptide	NA	peptide
+HMDB00688	Isovalerylcarnitine	C12H23NO4	122.581352	MH2+	Inhouse_peptide	NA	peptide
+C06697	Arsenite	AsO3	122.9063	NA	KEGG	NA	NA
+C06698	Monosaccharide	AsO3	122.9063	NA	KEGG	NA	NA
+C06699	Polar amino acid	AsO3	122.9063	NA	KEGG	NA	NA
+C06700	Nonpolar amino acid	AsO3	122.9063	NA	KEGG	NA	NA
+HMDB11620	Arsenite	AsO3	122.906342	NA	HMDB2010	NA	NA
+MetaCyc00529	methylarsonite [MMAIII;methylarsonous acid;]	C1H4O2AS1	122.942726	NA	metacyc	NA	NA
+MetaCyc00530	2-bromoethylamine [2-aminoethylbromide;2-bromoethanamide;2-bromoethylamine;&beta;-bromoethylamine;2-bromo-ethanamine,;2-bromo-ethylamine;]	C2H6N1BR1	122.968362	NA	metacyc	NA	NA
+C02634	3-Chloro-D-alanine	C3H6ClNO2	123.0087	NA	KEGG	NA	NA
+C02635	3-Chloro-L-alanine	C3H6ClNO2	123.0087	NA	KEGG	NA	NA
+MetaCyc00531	3-chloro-L-alanine []	C3H6N1O2CL1	123.008706	NA	metacyc	NA	NA
+MetaCyc00532	3-chloro-D-alanine []	C3H6N1O2CL1	123.008706	NA	metacyc	NA	NA
+PFEM061F1	niacin	F1	123.0135	NA	Inhouse_original	NA	NA
+C03311	Thien-2-ylacetonitrile	C6H5NS	123.0143	NA	KEGG	NA	NA
+EUR295	Niacine F1	NA	123.030875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR295	Niacine F1	NA	123.030875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR295	Niacine F1	NA	123.030875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR295	Niacine F1	NA	123.030875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+CJpos0178	Nicotinic acid [(M+H)]+	C6H6NO2	123.031475	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0179	Nicotinic acid isomer [(M+H)]+	C6H6NO2	123.031475	C18rt(min)=4.47 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0178	Nicotinic acid [(M+H)]+	C6H6NO2	123.031475	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0179	Nicotinic acid isomer [(M+H)]+	C6H6NO2	123.031475	C18rt(min)=4.47 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR035	niacin	C6H5NO2	123.032	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR035	niacin	C6H5NO2	123.032	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR035	niacin	C6H5NO2	123.032	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR035	niacin	C6H5NO2	123.032	Wishlist	Inhousejuil11	NA	NA
+C00253	Nicotinate	C6H5NO2	123.032	NA	KEGG	NA	NA
+C06813	Nitrobenzene	C6H5NO2	123.032	NA	KEGG	NA	NA
+C07446	Isonicotinic acid	C6H5NO2	123.032	NA	KEGG	NA	NA
+C10164	Picolinic acid	C6H5NO2	123.032	NA	KEGG	NA	NA
+HMDB01488	Nicotinic acid	C6H5NO2	123.032028	NA	HMDB2010	NA	NA
+HMDB02243	Picolinic acid	C6H5NO2	123.032028	NA	HMDB2010	NA	NA
+MJ000915	Nicotinate 	C6H5NO2	123.032028	NA	MeJP	NA	NA
+MJ000916	2-Hydroxy-4-imino-2,5-cyclohexadienone 	C6H5NO2	123.032028	NA	MeJP	NA	NA
+MJ000917	2-Pyridinecarboxylic acid 	C6H5NO2	123.032028	NA	MeJP	NA	NA
+MJ000918	3-Pyridinecarboxylic acid 	C6H5NO2	123.032028	NA	MeJP	NA	NA
+MetaCyc00533	picolinate [2-pyridinecarboxylate;picolinic acid;2-pyridine carboxylic acid;]	C6H5N1O2	123.032028	98-98-6	metacyc	NA	NA
+MetaCyc00534	nitrobenzene [benzene-NO2;nitro-benzene;]	C6H5N1O2	123.032028	98-95-3	metacyc	NA	NA
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	HMDB	NA	NA
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	Inhouse_PFEM	NA	NA
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR035	Niacin	C6H5NO2	123.032029	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01488	Nicotinic acid	C6H5NO2	123.03203	http://www.hmdb.ca/metabolites/HMDB01488	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02243	Picolinic acid	C6H5NO2	123.03203	http://www.hmdb.ca/metabolites/HMDB02243	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01488	Nicotinic acid	C6H5NO2	123.03203	http://www.hmdb.ca/metabolites/HMDB01488	HMDB	NA	NA
+HMDB02243	Picolinic acid	C6H5NO2	123.03203	http://www.hmdb.ca/metabolites/HMDB02243	HMDB	NA	NA
+HMDB01488	Nicotinic acid	C6H5NO2	123.03203	Aromatic/Heterocyclic glycine conjugates  ;SYN:N-(3-pyridinylcarbonyl)-(9CI)-glycine; N-(3-pyridinylcarbonyl)-glycine; N-(Pyridin-3-ylcarbonyl)glycine; N-Nicotinurate; N-Nicotinuric acid; N-Nicotinylglycine; N-nicotinoyl-(8CI)-Glycine; N-nicotinoyl-Glycine; Nicotinoyl-glycine; Nicotinoylglycine; Nicotinurate; NicotinylglycineH2Blood	Inhouse_peptide	NA	peptide
+HMDB02243	Picolinic acid	C6H5NO2	123.03203	NA  ;SYN:N-Acetyl-4-aminobutanoate; 4-Acetamidobutyric acid; N-acetyl-gamma-amino-n-butyric acid; N-Acetyl-4-aminobutyric acid; 4-(Acetylamino)butanoic acid; N-acetyl-gamma-aminobutyrate; N-acetyl-GABA; N4-Acetylaminobutanoate; N-Acetyl-4-aminobutanoic acid; 4-(Acetylamino)butanoate; N4-Acetylaminobutanoic acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01488	Nicotinic acid	C6H5NO2	123.03203	http://www.hmdb.ca/metabolites/HMDB01488	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02243	Picolinic acid	C6H5NO2	123.03203	http://www.hmdb.ca/metabolites/HMDB02243	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01488	Nicotinic acid	C6H5NO2	123.03203	HMDB01488	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02243	Picolinic acid	C6H5NO2	123.03203	HMDB02243	PFEM_hmdb_metabocards_official	NA	NA
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR267	Nicotinamide adenine di nucleotide F7	NA	123.032275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR267	Nicotinamide adenine di nucleotide F7	NA	123.032275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR267	Nicotinamide adenine di nucleotide F7	NA	123.032275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR267	Nicotinamide adénine di nucléotide F7	F7	123.032275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR267	Nicotinamide adenine di nucleotide F7	NA	123.032275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR267	Nicotinamide adenine di nucleotide F7	F7	123.032275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0063	Nicotinic acid [(M-H)]-	C6H4NO2	123.032625	C18rt(min)=1.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0064	Nicotinic acid isomer [(M-H)]-	C6H4NO2	123.032625	C18rt(min)=4.47 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0063	Nicotinic acid [(M-H)]-	C6H4NO2	123.032625	C18rt(min)=1.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0064	Nicotinic acid isomer [(M-H)]-	C6H4NO2	123.032625	C18rt(min)=4.47 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0065	Benzoic acid isomer [M-H]- (13C)	C6[13]CH5O2	123.040725	C18rt(min)=5.38 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0065	Benzoic acid isomer [M-H]- (13C)	C6[13]CH5O2	123.040725	C18rt(min)=5.38 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ000919	Pyrazinecarboxylic acid; Amide 	C5H5N3O	123.043261	NA	MeJP	NA	NA
+MetaCyc00535	pyrazinamide [pyrazinecarboxamide;pyrazinoic acid amide;pyrazine carboxylamide;]	C5H5N3O1	123.043262	NA	metacyc	NA	NA
+C01956	Pyrazinamide	C5H5N3O	123.0433	NA	KEGG	NA	NA
+MJ000920	(3-Aminopropyl)phosphinic acid 	C3H10NO2P	123.044915	NA	MeJP	NA	NA
+3171	dipeptidyl-aminopeptidase IV inhibitor	MP	123.0462	MH2+	Inhouse_peptide	NA	peptide
+7828	ACE inhibitor	EV	123.055	MH2+	Inhouse_peptide	NA	peptide
+7829	ACE inhibitor	VE	123.055	MH2+	Inhouse_peptide	NA	peptide
+MJ000921	2-Aminobenzyl alcohol 	C7H9NO	123.068413	NA	MeJP	NA	NA
+MJ000922	2-Hydroxybenzylamine 	C7H9NO	123.068413	NA	MeJP	NA	NA
+MJ000923	3-Acetyl-4-methylpyrrole 	C7H9NO	123.068413	NA	MeJP	NA	NA
+MJ000924	3-Hydroxybenzylamine 	C7H9NO	123.068413	NA	MeJP	NA	NA
+MJ000925	4-Hydroxybenzylamine 	C7H9NO	123.068413	NA	MeJP	NA	NA
+MJ000926	5,6,7,7a-Tetrahydro-3H-pyrrolizin-3-one 	C7H9NO	123.068413	NA	MeJP	NA	NA
+JH074	Methyl-L-histidine (3-) [M+H-HCOOH]+	NA	123.0761	1.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH074	Methyl-L-histidine (3-) [M+H-HCOOH]+	NA	123.0761	1.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH074	Methyl-L-histidine (3-) [M+H-HCOOH]+	NA	123.0761	1.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH074	Methyl-L-histidine (3-) [M+H-HCOOH]+	NA	123.0761	1.02	Inhousejuil11	NA	NA
+MJ000927	2-(1H-Imidazol-4-yl)cyclopropanamine 	C6H9N3	123.079647	NA	MeJP	NA	NA
+MJ000928	4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine 	C6H9N3	123.079647	NA	MeJP	NA	NA
+MJ000929	Dimethylaminopyrazine 	C6H9N3	123.079647	NA	MeJP	NA	NA
+MJ000930	1-Methylenepyrrolizidine 	C8H13N	123.104799	NA	MeJP	NA	NA
+MJ000931	2,3,4,5-Tetrahydro-6-(1-propenyl)pyridine 	C8H13N	123.104799	NA	MeJP	NA	NA
+7834	ACE inhibitor	TQ	123.5525	MH2+	Inhouse_peptide	NA	peptide
+HMDB02095	Malonylcarnitine	C10H17NO6	123.5527955	MH2+	Inhouse_peptide	NA	peptide
+MJ000932	1,2,4-Trithiolane 	C2H4S3	123.947512	NA	MeJP	NA	NA
+HMDB12259	Methylarsonite	CH5AsO2	123.950546	NA	HMDB2010	NA	NA
+C07295	Methylarsonite	CH5AsO2	123.9506	NA	KEGG	NA	NA
+C00593	Sulfoacetaldehyde	C2H4O4S	123.983	NA	KEGG	NA	NA
+MetaCyc00536	sulfoacetaldehyde [2-sulfoacetaldehyde;2-oxo-ethanesulfonate;]	C2H4O4S1	123.983029	NA	metacyc	NA	NA
+C03167	Phosphonoacetaldehyde	C2H5O4P	123.9925	NA	KEGG	NA	NA
+C03168	Poly(D-galactosamine)	C2H5O4P	123.9925	NA	KEGG	NA	NA
+MJ000933	Phosphonoacetaldehyde 	C2H5O4P	123.992545	NA	MeJP	NA	NA
+MetaCyc00537	phosphonoacetaldehyde [phosphonoacetaldehyde;2-phosphonoacetaldehyde;phosphonic acid, (2-oxoethyl)-;acetylphosphonate;]	C2H5O4P1	123.992545	NA	metacyc	NA	NA
+MJ000934	2,3-Dimercapto-1-propanol 	C3H8OS2	124.001656	NA	MeJP	NA	NA
+MetaCyc00538	6-S-acetyl-dihydrolipoate [6-S-acetyldihydrolipoate;]	C3H8O1S2	124.001656	NA	metacyc	NA	NA
+C02924	Dimercaprol	C3H8OS2	124.0017	NA	KEGG	NA	NA
+C07103	2-Hydroxy-1,4-benzoquinone	C6H4O3	124.016	NA	KEGG	NA	NA
+MJ000935	2-Hydroxy-1,4-benzoquinone 	C6H4O3	124.016044	NA	MeJP	NA	NA
+MetaCyc00539	hydroxybenzoquinone [2-hydroxy-1,4-benzoquinone;2-hydroxycyclohexa-2,5-diene-1,4-dione;]	C6H4O3	124.016044	NA	metacyc	NA	NA
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR269	5hydroxymethyluracil F2	NA	124.024275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR269	5hydroxymethyluracil F2	NA	124.024275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR269	5hydroxymethyluracil F2	NA	124.024275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR269	5hydroxyméthyluracil F2	F2	124.024275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR269	5hydroxymethyluracil F2	NA	124.024275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR269	5hydroxymethyluracil F2	F2	124.024275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00540	pyrazinoate [pyrazinoic acid;pyrazinecarboxylic acid;pyrazinemonocarboxylic acid;]	C5H4N2O2	124.027277	NA	metacyc	NA	NA
+MJ000936	Phenylmethanethiol 	C7H8S	124.03467	NA	MeJP	NA	NA
+MJ000937	Pyrazine diazohydroxide 	C4H4N4O	124.03851	NA	MeJP	NA	NA
+7830	ACE inhibitor	TE	124.0445	MH2+	Inhouse_peptide	NA	peptide
+CJpos0180	2-hydroxybenzyl alcohol [(M+H)]+	C7H9O2	124.051875	C18rt(min)=5.58 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0180	2-hydroxybenzyl alcohol [(M+H)]+	C7H9O2	124.051875	C18rt(min)=5.58 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	PFEM_hmdb_metabocards_urine	NA	urine
+JH009	Methylcatechol [M+H]+	C7H8O2	124.0519	10.86	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH009	Methylcatechol [M+H]+	C7H8O2	124.0519	10.86	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH009	Methylcatechol [M+H]+	C7H8O2	124.0519	10.86	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	HMDB	NA	NA
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	Inhouse_PFEM	NA	NA
+JH009	Methylcatechol [M+H]+	C7H8O2	124.0519	10.86	Inhousejuil11	NA	NA
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	PFEM_hmdb_metabocards_blood	NA	blood
+JH009	Methylcatechol 	C7H8O2	124.0519	Rtobs10.86	PFEM_hmdb_metabocards_official	NA	NA
+JH010	Methylcatechol (4-) [M+H]+	C7H8O2	124.0524	10.93	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH010	Methylcatechol (4-) [M+H]+	C7H8O2	124.0524	10.93	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH010	Methylcatechol (4-) [M+H]+	C7H8O2	124.0524	10.93	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH010	Methylcatechol (4-) [M+H]+	C7H8O2	124.0524	10.93	Inhousejuil11	NA	NA
+C00727	Orcinol	C7H8O2	124.0524	NA	KEGG	NA	NA
+C01502	o-Methoxyphenol	C7H8O2	124.0524	NA	KEGG	NA	NA
+C02323	Salicyl alcohol	C7H8O2	124.0524	NA	KEGG	NA	NA
+C02324	Secondary amine	NHR2	124.0524	NA	KEGG	NA	NA
+C02923	2,3-Dihydroxytoluene	C7H8O2	124.0524	NA	KEGG	NA	NA
+C03351	3-Hydroxybenzyl alcohol	C7H8O2	124.0524	NA	KEGG	NA	NA
+C06730	4-Methylcatechol	C7H8O2	124.0524	NA	KEGG	NA	NA
+C15572	Guaiacol	C7H8O2	124.0524	NA	KEGG	NA	NA
+C15573	beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminylproteoglycan	C14H22NO12R	124.0524	NA	KEGG	NA	NA
+C15574	N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-	C22H35N2O17R	124.0524	NA	KEGG	NA	NA
+C15575	N-Acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosylproteoglycan	C14H22NO12R	124.0524	NA	KEGG	NA	NA
+C15576	beta-D-Glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-	C20H30NO18R	124.0524	NA	KEGG	NA	NA
+C15577	N-Acetyl-beta-D-galactosaminyl-(1->4)-beta-D-	C14H22NO12R	124.0524	NA	KEGG	NA	NA
+C15578	beta-D-Glucuronosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-	C20H30NO18R	124.0524	NA	KEGG	NA	NA
+C17467	p-Hydroxybenzyl alcohol	C7H8O2	124.0524	NA	KEGG	NA	NA
+HMDB00873	4-Methylcatechol	C7H8O2	124.052429	NA	HMDB2010	NA	NA
+HMDB01398	Guaiacol	C7H8O2	124.052429	NA	HMDB2010	NA	NA
+HMDB11724	4-Hydroxybenzyl alcohol	C7H8O2	124.052429	NA	HMDB2010	NA	NA
+MJ000938	2,3-Dihydroxytoluene 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000939	1,4-Benzenediol; Mono-Me ether 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000940	1-(2-Furanyl)-1-propanone 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000941	2-Acetyl-3-methylfuran 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000942	2-Acetyl-5-methylfuran 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000943	2-Hydroxybenzyl alcohol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000944	2-Methoxyphenol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000945	2-Methyl-1,4-benzenediol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000946	3-Hydroxybenzyl alcohol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000947	4,6-Heptadiyne-1,3-diol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000948	4,6-Heptadiyne-2,3-diol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000949	4-Hydroxy-4-vinyl-2-cyclopenten-1-one 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000950	4-Hydroxybenzyl alcohol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000951	4-Methylcatechol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+MJ000952	5-Methyl-1,3-benzenediol 	C7H8O2	124.052429	NA	MeJP	NA	NA
+HMDB00873	4-Methylcatechol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB00873	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01398	Guaiacol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB01398	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00873	4-Methylcatechol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB00873	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00873	4-Methylcatechol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB00873	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00873	4-Methylcatechol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB00873	HMDB	NA	NA
+HMDB01398	Guaiacol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB01398	HMDB	NA	NA
+MetaCyc00541	orcinol [5-methyl-1,3-benzenediol;5-methylresorcinol;3,5-toluenediol;3,5-dihydroxytoluene;]	C7H8O2	124.05243	504-15-4	metacyc	NA	NA
+MetaCyc00542	guaiacol [o-Methoxyphenol;Catechol monomethyl ether;]	C7H8O2	124.05243	90-05-1	metacyc	NA	NA
+MetaCyc00543	salicyl alcohol [Saligenin;2-Hydroxybenzyl alcohol;]	C7H8O2	124.05243	90-01-7	metacyc	NA	NA
+MetaCyc00544	3-methylcatechol [2,3-dihydroxytoluene;]	C7H8O2	124.05243	488-17-5	metacyc	NA	NA
+MetaCyc00545	4-methylresorcinol [1,3-benzenediol, 4-methyl-;]	C7H8O2	124.05243	NA	metacyc	NA	NA
+MetaCyc00546	4-methylcatechol []	C7H8O2	124.05243	452-86-8	metacyc	NA	NA
+MetaCyc00547	3-hydroxybenzyl alcohol [3-Hydroxybenzenemethanol;]	C7H8O2	124.05243	620-24-6	metacyc	NA	NA
+MetaCyc00548	4-hydroxybenzyl alcohol []	C7H8O2	124.05243	623-05-2	metacyc	NA	NA
+HMDB01398	Guaiacol	C7H8O2	124.05243	http://www.hmdb.ca/metabolites/HMDB01398	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00873	4-Methylcatechol	C7H8O2	124.05243	HMDB00873	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01398	Guaiacol	C7H8O2	124.05243	HMDB01398	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0066	Hydroxybenzyl alcohol isomer [(M-H)]-	C7H7O2	124.053025	C18rt(min)=6.19 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0067	3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]-	C7H7O2	124.053025	C18rt(min)=5.21 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0068	3-hydroxybenzyl alcohol [(M-H)]-	C7H7O2	124.053025	C18rt(min)=5.26 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0069	Methoxysalicylic acid isomer [(M-H)-(CO2)]-	C7H7O2	124.053025	C18rt(min)=6.2 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0070	2-hydroxybenzyl alcohol [(M-H)]-	C7H7O2	124.053025	C18rt(min)=5.58 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0066	Hydroxybenzyl alcohol isomer [(M-H)]-	C7H7O2	124.053025	C18rt(min)=6.19 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0067	3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]-	C7H7O2	124.053025	C18rt(min)=5.21 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0068	3-hydroxybenzyl alcohol [(M-H)]-	C7H7O2	124.053025	C18rt(min)=5.26 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0069	Methoxysalicylic acid isomer [(M-H)-(CO2)]-	C7H7O2	124.053025	C18rt(min)=6.2 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0070	2-hydroxybenzyl alcohol [(M-H)]-	C7H7O2	124.053025	C18rt(min)=5.58 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	124.0636595	MH2+	Inhouse_peptide	NA	peptide
+HMDB04181	Methylimidazole acetaldehyde	C6H8N2O	124.06366	http://www.hmdb.ca/metabolites/HMDB04181	HMDB	NA	NA
+HMDB04181	Methylimidazole acetaldehyde	C6H8N2O	124.06366	HMDB04181	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04181	Methylimidazole acetaldehyde	C6H8N2O	124.06366	NA	HMDB2010	NA	NA
+MJ000953	4,6-Dimethyl-3-hydroxypyridazine 	C6H8N2O	124.063662	NA	MeJP	NA	NA
+MJ000954	3-Methylimidazole acetaldehyde 	C6H8N2O	124.063662	NA	MeJP	NA	NA
+C03007	N-Propanoylimidazole	C6H8N2O	124.0637	NA	KEGG	NA	NA
+C05827	Methylimidazole acetaldehyde	C6H8N2O	124.0637	NA	KEGG	NA	NA
+MJ000955	1-Acetyl-5-methylcyclopentene 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000956	1-Ethynylcyclohexanol 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000957	2,3,5-Trimethyl-2-cyclopenten-1-one 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000958	2,4-Dimethyl-2,4-hexadien-1-ol, Aldehyde 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000959	2-Butylfuran 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000960	2-Isopropyl-5-methylfuran 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000961	3,5,5-Trimethyl-2-cyclopenten-1-one 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000962	6-Methyl-3,5-heptadien-2-one 	C8H12O	124.088815	NA	MeJP	NA	NA
+MJ000963	1,2,3,3-Tetramethylcyclopentene 	C9H16	124.1252	NA	MeJP	NA	NA
+MJ000964	1,3-Nonadiene 	C9H16	124.1252	NA	MeJP	NA	NA
+MJ000965	1,8-Nonadiene 	C9H16	124.1252	NA	MeJP	NA	NA
+MJ000966	1-Ethyl-5-methylcyclohexene 	C9H16	124.1252	NA	MeJP	NA	NA
+MJ000967	2,6-Dimethyl-2,4-heptadiene 	C9H16	124.1252	NA	MeJP	NA	NA
+MJ000968	2-Isopropyl-1,4-hexadiene 	C9H16	124.1252	NA	MeJP	NA	NA
+JH011	Taurine [M+H]+	C2H7NO3S	125.012	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH011	Taurine [M+H]+	C2H7NO3S	125.012	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH011	Taurine [M+H]+	C2H7NO3S	125.012	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH011	Taurine [M+H]+	C2H7NO3S	125.012	1.28	Inhousejuil11	NA	NA
+CJpos0181	Taurine (and isomer) [M+H]+	C2H8O3NS	125.014075	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0181	Taurine (and isomer) [M+H]+	C2H8O3NS	125.014075	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00251	Taurine	C2H7NO3S	125.01466	http://www.hmdb.ca/metabolites/HMDB00251	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00251	Taurine	C2H7NO3S	125.01466	http://www.hmdb.ca/metabolites/HMDB00251	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00251	Taurine	C2H7NO3S	125.01466	http://www.hmdb.ca/metabolites/HMDB00251	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00251	Taurine	C2H7NO3S	125.01466	http://www.hmdb.ca/metabolites/HMDB00251	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00251	Taurine	C2H7NO3S	125.01466	http://www.hmdb.ca/metabolites/HMDB00251	HMDB	NA	NA
+HMDB00251	Taurine	C2H7NO3S	125.01466	NA  ;SYN:3-methoxytyrosine; 3-methoxy-tyrosine; l-3-Methoxy tyrosine; L-3-Methoxytyrosine; 3-O-Methyldopa; L-4-Hydroxy-3-methoxyphenylalanine; vanilalanineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00251	Taurine	C2H7NO3S	125.01466	http://www.hmdb.ca/metabolites/HMDB00251	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00251	Taurine	C2H7NO3S	125.01466	HMDB00251	PFEM_hmdb_metabocards_official	NA	NA
+MJ000969	2-Aminoethanesulfonic acid 	C2H7NO3S	125.014663	NA	MeJP	NA	NA
+MJ000970	Taurine 	C2H7NO3S	125.014663	NA	MeJP	NA	NA
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	PFEM_hmdb_metabocards_urine	NA	urine
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	HMDB	NA	NA
+HMDB00251	Taurine	C2H7NO3S	125.014664	NA	HMDB2010	NA	NA
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	Inhouse_PFEM	NA	NA
+LABER032	Taurine 	NA	125.014664	126.021864	Inhouse_sept12	NA	NA
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	Inhousejuil11	NA	NA
+MetaCyc00549	taurine [tauphon;taufon;taurine;2-aminoethanesulfonic acid;aminoetylsulphonic acid;ethylaminesulphonic acid;]	C2H7N1O3S1	125.014664	107-35-7	metacyc	NA	NA
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	PFEM_hmdb_metabocards_blood	NA	blood
+LABER032	Taurine 	HMDB00251_RT1_add	125.014664	RT 2.10; 2.40 fragt 126, 108, 44	PFEM_hmdb_metabocards_official	NA	NA
+EUR606	Taurine 	[M+H]+	125.0147	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR606	Taurine 	[M+H]+	125.0147	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR606	Taurine 	[M+H]+	125.0147	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR606	Taurine 	[M+H]+	125.0147	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00245	Taurine	C2H7NO3S	125.0147	NA	KEGG	NA	NA
+CJneg0071	Taurine (and isomer) [M-H]-	C2H6O3NS	125.015225	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0071	Taurine (and isomer) [M-H]-	C2H6O3NS	125.015225	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB11747	Ciliatine	C2H8NO3P	125.024178	NA	HMDB2010	NA	NA
+MJ000971	(2-Aminoethyl)phosphonate 	C2H8NO3P	125.024179	NA	MeJP	NA	NA
+MJ000972	(2-Aminoethyl)phosphonic acid 	C2H8NO3P	125.024179	NA	MeJP	NA	NA
+MetaCyc00550	(2-aminoethyl)phosphonate [Ciliatine;2-Aminoethylphosphonate;]	C2H8N1O3P1	125.02418	NA	metacyc	NA	NA
+C03557	2-Aminoethylphosphonate	C2H8NO3P	125.0242	NA	KEGG	NA	NA
+C03782	D-(1-Aminoethyl)phosphonate	C2H8NO3P	125.0242	NA	KEGG	NA	NA
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR249	Thiamine monophosphate F3	NA	125.027275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR249	Thiamine monophosphate F3	NA	125.027275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR249	Thiamine monophosphate F3	NA	125.027275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR249	Thiamine monophosphate F3	NA	125.027275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR249	Thiamin monophosphate F3	F3	125.027275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR243	Thiamine pyrophosphate F5	NA	125.028675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR243	Thiamine pyrophosphate F5	NA	125.028675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR243	Thiamine pyrophosphate F5	NA	125.028675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR243	Thiamine pyrophosphate F5	NA	125.028675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR243	Thiamin pyrophosphate F5	F5	125.028675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01049	Gamma-Glutamylcysteine	C8H14N2O5S	125.0311735	MH2+	Inhouse_peptide	NA	peptide
+MJ000973	3,4-Dihydroxy-2-methylpyridine 	C6H7NO2	125.047678	NA	MeJP	NA	NA
+MJ000974	3-Pyridinemethanol; N-Oxide 	C6H7NO2	125.047678	NA	MeJP	NA	NA
+MJ000975	5-Hydroxy-2-(hydroxymethyl)pyridine 	C6H7NO2	125.047678	NA	MeJP	NA	NA
+MetaCyc00551	N-ethylmaleimide [ethylmaleimide;maleic acid N-ethylimide;maleimide, N-ethyl-;N-EM;1H-pyrrole-2,5-dione, 1-ethyl-;]	C6H7N1O2	125.047678	NA	metacyc	NA	NA
+MetaCyc00552	aminohydroquinone []	C6H7N1O2	125.047678	NA	metacyc	NA	NA
+MetaCyc00553	3-hydroxyaminophenol []	C6H7N1O2	125.047678	NA	metacyc	NA	NA
+C02441	N-Ethylmaleimide	C6H7NO2	125.0477	NA	KEGG	NA	NA
+C02854	N-Furfurylformamide	C6H7NO2	125.0477	NA	KEGG	NA	NA
+C14602	3-Hydroxyaminophenol	C6H7NO2	125.0477	NA	KEGG	NA	NA
+C14604	Aminohydroquinone	C6H7NO2	125.0477	NA	KEGG	NA	NA
+C16671	3,6-Dihydronicotinic acid	C6H7NO2	125.0477	NA	KEGG	NA	NA
+CJneg0072	3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]- (13C)	C613CH7O2	125.056325	C18rt(min)=5.21 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0073	3-hydroxybenzyl alcohol [(M-H)]- (13C)	C613CH7O2	125.056325	C18rt(min)=5.26 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0072	3,4-dihydroxyphenylacetic acid [(M-H)-(CO2)]- (13C)	C613CH7O2	125.056325	C18rt(min)=5.21 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0073	3-hydroxybenzyl alcohol [(M-H)]- (13C)	C613CH7O2	125.056325	C18rt(min)=5.26 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0182	Methylcytosine isomers [(M+H)]+	C5H8N3O	125.058375	C18rt(min)=1 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0182	Methylcytosine isomers [(M+H)]+	C5H8N3O	125.058375	C18rt(min)=1 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02376	5-Methylcytosine	C5H7N3O	125.0589	NA	KEGG	NA	NA
+C02377	5-Oxoprolyl-tRNA	C15H22NO12PR2	125.0589	NA	KEGG	NA	NA
+HMDB02894	5-Methylcytosine	C5H7N3O	125.05891	http://www.hmdb.ca/metabolites/HMDB02894	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02894	5-Methylcytosine	C5H7N3O	125.05891	http://www.hmdb.ca/metabolites/HMDB02894	HMDB	NA	NA
+HMDB04339	2-O-Methylcytosine	C5H7N3O	125.05891	http://www.hmdb.ca/metabolites/HMDB04339	HMDB	NA	NA
+HMDB02894	5-Methylcytosine	C5H7N3O	125.05891	http://www.hmdb.ca/metabolites/HMDB02894	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02894	5-Methylcytosine	C5H7N3O	125.05891	HMDB02894	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04339	2-O-Methylcytosine	C5H7N3O	125.05891	HMDB04339	PFEM_hmdb_metabocards_official	NA	NA
+MJ000976	4-Amino-2-hydroxy-5-methylpyrimidine 	C5H7N3O	125.058911	NA	MeJP	NA	NA
+MJ000977	5-Methylcytosine 	C5H7N3O	125.058911	NA	MeJP	NA	NA
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	PFEM_hmdb_metabocards_urine	NA	urine
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	HMDB	NA	NA
+HMDB02894	5-Methylcytosine	C5H7N3O	125.058914	NA	HMDB2010	NA	NA
+HMDB04339	2-O-Methylcytosine	C5H7N3O	125.058914	NA	HMDB2010	NA	NA
+HMDB11601	3-Methylcytosine	C5H7N3O	125.058914	NA	HMDB2010	NA	NA
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	Inhouse_PFEM	NA	NA
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	Inhousejuil11	NA	NA
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	PFEM_hmdb_metabocards_blood	NA	blood
+LABER068	5-methyl cytosine	NA	125.058914	RT 2.5	PFEM_hmdb_metabocards_official	NA	NA
+MJ000978	1,2,3,4-Tetrahydropyridine; Ac 	C7H11NO	125.084063	NA	MeJP	NA	NA
+MJ000979	6-Acetyl-1,2,3,4-tetrahydropyridine 	C7H11NO	125.084063	NA	MeJP	NA	NA
+CJpos0183	Methylhistamine isomers [M+H]+	C6H12N3	125.094775	C18rt(min)=0.79 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0183	Methylhistamine isomers [M+H]+	C6H12N3	125.094775	C18rt(min)=0.79 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000980	?-Methylhistamine 	C6H11N3	125.095297	NA	MeJP	NA	NA
+MJ000981	Histamine 	C6H11N3	125.095297	NA	MeJP	NA	NA
+MJ000982	N-Methylhistamine 	C6H11N3	125.095297	NA	MeJP	NA	NA
+MetaCyc00554	N&tau;-methylhistamine [N-methyl-histamine;methylhistamine;N(T)-methylhistamine;]	C6H11N3	125.095297	673-50-7	metacyc	NA	NA
+HMDB00898	1-Methylhistamine	C6H11N3	125.095299	NA	HMDB2010	NA	NA
+HMDB01861	3-Methylhistamine	C6H11N3	125.095299	NA	HMDB2010	NA	NA
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB00898	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB00898	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01861	3-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB01861	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB00898	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB00898	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB00898	HMDB	NA	NA
+HMDB01861	3-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB01861	HMDB	NA	NA
+C05127	N-Methylhistamine	C6H11N3	125.0953	NA	KEGG	NA	NA
+C17928	2-Methylhistamine	C6H11N3	125.0953	NA	KEGG	NA	NA
+C17929	4-Methylhistamine	C6H11N3	125.0953	NA	KEGG	NA	NA
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB00898	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01861	3-Methylhistamine	C6H11N3	125.0953	http://www.hmdb.ca/metabolites/HMDB01861	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00898	1-Methylhistamine	C6H11N3	125.0953	HMDB00898	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01861	3-Methylhistamine	C6H11N3	125.0953	HMDB01861	PFEM_hmdb_metabocards_official	NA	NA
+C10138	gamma-Coniceine	C8H15N	125.1204	NA	KEGG	NA	NA
+MJ000983	Silver(I) fluoride 	AgF	125.903496	NA	MeJP	NA	NA
+MetaCyc00555	arsenite [arsenic trioxide;arsenic oxide;arsenic (III) oxide;arsenous trioxide;arsenic sesquioxide;arsenous oxide;white arsenic;diarsenic trioxide;crude arsenic;arsenious oxide;arsenic (III) trioxide;arsenous anhydride;arsenolite;arsenous acid anhydride;arsenous oxide anhydride;arsodent;claudelite;clauditite;arsenicum album;diarsonic trioxide;diarsenic oxide;]	H3O3AS1	125.929815	NA	metacyc	NA	NA
+MJ000984	Dimethyl trisulfide 	C2H6S3	125.963162	NA	MeJP	NA	NA
+C08372	Dimethyl trisulfide	C2H6S3	125.9632	NA	KEGG	NA	NA
+C02405	Formyl phosphate	CH3O5P	125.9718	NA	KEGG	NA	NA
+C02408	Gelatin type III	CH3O5P	125.9718	NA	KEGG	NA	NA
+C02409	GlcMan9(GlcNAc)2	CH3O5P	125.9718	NA	KEGG	NA	NA
+C02410	Glucosylated DNA	C16H27O13PR2	125.9718	NA	KEGG	NA	NA
+C06456	Phosphonoformate	CH3O5P	125.9718	NA	KEGG	NA	NA
+MJ000985	Formyl phosphate 	CH3O5P	125.971809	NA	MeJP	NA	NA
+MJ000986	Phosphonoformic acid 	CH3O5P	125.971809	NA	MeJP	NA	NA
+MetaCyc00556	formyl phosphate []	C1H3O5P1	125.97181	1189-72-6	metacyc	NA	NA
+MJ000987	Methanesulfonothioic acid; Me ester 	C2H6O2S2	125.98092	NA	MeJP	NA	NA
+MetaCyc00557	methylmethanethiosulfonate []	C2H6O2S2	125.980921	NA	metacyc	NA	NA
+MJ000988	2-Hydroxy-1-ethanesulfonic acid 	C2H6O4S	125.998679	NA	MeJP	NA	NA
+MJ000989	2-Hydroxyethanesulfonate 	C2H6O4S	125.998679	NA	MeJP	NA	NA
+MetaCyc00558	isethionate [Isethionic acid;2-Hydroxyethanesulfonate;2-Hydroxyethanesulfonic acid;2-Hydroxyethane-1-sulfonic acid;]	C2H6O4S1	125.998679	107-36-8	metacyc	NA	NA
+HMDB03903	2-Hydroxyethanesulfonate	C2H6O4S	125.99868	http://www.hmdb.ca/metabolites/HMDB03903	HMDB	NA	NA
+HMDB03903	2-Hydroxyethanesulfonate	C2H6O4S	125.99868	HMDB03903	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03903	2-Hydroxyethanesulfonate	C2H6O4S	125.99868	NA	HMDB2010	NA	NA
+C05123	2-Hydroxyethanesulfonate	C2H6O4S	125.9987	NA	KEGG	NA	NA
+MJ000990	Amitivir 	C3H2N4S	126.000016	NA	MeJP	NA	NA
+HMDB12228	Ethylphosphate	C2H7O4P	126.008194	NA	HMDB2010	NA	NA
+C06451	2-Hydroxyethylphosphonate	C2H7O4P	126.0082	NA	KEGG	NA	NA
+MJ000991	2-Acetylthiophene 	C6H6OS	126.013935	NA	MeJP	NA	NA
+MJ000992	2-Mercaptophenol 	C6H6OS	126.013935	NA	MeJP	NA	NA
+C14451	4-Chlorotoluene	C7H7Cl	126.0236	NA	KEGG	NA	NA
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR260	Ergothioneine F4	NA	126.024475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR260	Ergothioneine F4	NA	126.024475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR260	Ergothioneine F4	NA	126.024475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR260	Ergothionéine F4	F4	126.024475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR260	Ergothioneine F4	NA	126.024475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR260	Ergothioneine F4	F4	126.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ000993	2-Amino-3-pyridinethiol 	C5H6N2S	126.025168	NA	MeJP	NA	NA
+MJ000994	(2,2,2-Trifluoroethoxy)ethene 	C4H5F3O	126.029249	NA	MeJP	NA	NA
+JH015	Phloroglucinol [M+H]+	C6H6O3	126.0304	4.44	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH015	Phloroglucinol [M+H]+	C6H6O3	126.0304	4.44	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH015	Phloroglucinol [M+H]+	C6H6O3	126.0304	4.44	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH015	Phloroglucinol [M+H]+	C6H6O3	126.0304	4.44	Inhousejuil11	NA	NA
+CJpos0184	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+	C6H7O3	126.031175	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0184	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+	C6H7O3	126.031175	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ000995	1,2,3-Benzenetriol 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ000996	1,2,4-Benzenetriol 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ000997	1,3,5-Benzenetriol 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ000998	1,6-Anhydro-3,4-dideoxy-glycero-hex-3-enopyranos-2-ulose 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ000999	2,5-Dioxo-3-hexenal 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001000	2-(Hydroxyacetyl)furan 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001001	2-Hydroxy-3-methyl-4H-pyran-4-one 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001002	3-Hydroxy-2-methyl-4H-pyran-4-one 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001003	4-Hydroxy-2H-pyran-3-carboxaldehyde 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001004	4-Hydroxy-6-methyl-2H-pyran-2-one 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001005	5-Hydroxy-3-vinyl-2(5H)-furanone 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001006	5-Hydroxymethyl-2-furancarboxaldehyde 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MJ001007	Benzene-1,2,4-triol 	C6H6O3	126.031694	NA	MeJP	NA	NA
+MetaCyc00559	triacetate lactone []	C6H6O3	126.031694	675-10-5	metacyc	NA	NA
+MetaCyc00560	pyrogallol [1,2,3-trihydroxybenzene;1,2,3-benzenetriol;C.I. Oxidation Base 32;C.I. 76515;fouramine base ap;Fouramine Brown AP;fourrine 85;fourrine PG;Piral;Pyro;pyrogallic acid;]	C6H6O3	126.031694	NA	metacyc	NA	NA
+MetaCyc00561	triacetic acid lactone []	C6H6O3	126.031694	NA	metacyc	NA	NA
+MetaCyc00562	phloroglucinol [1,3,5-trihydroxybenzene;1,3,5-benzenetriol;1,3,5-THB;]	C6H6O3	126.031694	108-73-6	metacyc	NA	NA
+MetaCyc00563	benzene-1,2,4-triol [1,2,4-trihydroxybenzene;hydroxyquinol;4-hydroxycatechol;]	C6H6O3	126.031694	533-73-3	metacyc	NA	NA
+C01108	1,2,3-Trihydroxybenzene	C6H6O3	126.0317	NA	KEGG	NA	NA
+C02183	Phloroglucinol	C6H6O3	126.0317	NA	KEGG	NA	NA
+C02752	Triacetate lactone	C6H6O3	126.0317	NA	KEGG	NA	NA
+C02814	Benzene-1,2,4-triol	C6H6O3	126.0317	NA	KEGG	NA	NA
+C02815	C4b-binding protein	C6H6O3	126.0317	NA	KEGG	NA	NA
+C02816	Calmodulin L-lysine	C7H13N3O2R2	126.0317	NA	KEGG	NA	NA
+C11101	5-Hydroxymethyl-2-furaldehyde	C6H6O3	126.0317	NA	KEGG	NA	NA
+C11918	Maltol	C6H6O3	126.0317	NA	KEGG	NA	NA
+CJneg0074	Hydroxyanthranilic acid isomer [(M-H)-(HCN)]-	C6H5N0O3	126.032225	C18rt(min)=5.25 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0075	3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO)]-	C6H5O3	126.032225	C18rt(min)=4.83 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0074	Hydroxyanthranilic acid isomer [(M-H)-(HCN)]-	C6H5N0O3	126.032225	C18rt(min)=5.25 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0075	3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)-(CO)]-	C6H5O3	126.032225	C18rt(min)=4.83 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0185	Imidazoleacetic acid isomers [(M+H)]+	C5H7N2O2	126.042375	C18rt(min)=0.94 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0186	Thymidine [(M+H)-(C5H8O3)]+	C5H7N2O2	126.042375	C18rt(min)=1.17 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0185	Imidazoleacetic acid isomers [(M+H)]+	C5H7N2O2	126.042375	C18rt(min)=0.94 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0186	Thymidine [(M+H)-(C5H8O3)]+	C5H7N2O2	126.042375	C18rt(min)=1.17 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00178	Thymine	C5H6N2O2	126.0429	NA	KEGG	NA	NA
+C02835	Imidazole-4-acetate	C5H6N2O2	126.0429	NA	KEGG	NA	NA
+MJ001008	Imidazole-4-acetate 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MJ001009	Thymine 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MJ001010	1H-Imidazole-1-acetic acid 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MJ001011	1H-Imidazole-4(5)-acetic acid 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MJ001012	2,5-Dihydroxy-3-methylpyrazine 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MJ001013	4-Methyl-1H-pyrazole-3(5)-carboxylic acid 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MJ001014	Thymine 	C5H6N2O2	126.042927	NA	MeJP	NA	NA
+MetaCyc00564	4-imidazoleacetate [imidazole-4-acetate;imidazoleacetic acid;]	C5H6N2O2	126.042927	NA	metacyc	NA	NA
+MetaCyc00565	thymine [5-methyluracil;5-methyl-2,4(1H,3H)-pyrimidinedione;]	C5H6N2O2	126.042927	65-71-4	metacyc	NA	NA
+HMDB00262	Thymine	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB00262	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB02024	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00262	Thymine	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB00262	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB02024	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00262	Thymine	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB00262	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB02024	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00262	Thymine	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB00262	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB02024	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00262	Thymine	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB00262	HMDB	NA	NA
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB02024	HMDB	NA	NA
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	NA  ;SYN:4-(carbamimidamido)butanoate; 4-(carbamimidamido)butanoic acid; 4-Guanidinobutanoate; 4-Guanidinobutyrate; 4-Guanidinobutyric acid; 4-guanidinobutanoic acid; gamma-Guanidinobutyrate; gamma-Guanidinobutyric acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00262	Thymine	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB00262	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	http://www.hmdb.ca/metabolites/HMDB02024	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00262	Thymine	C5H6N2O2	126.04293	HMDB00262	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.04293	HMDB02024	PFEM_hmdb_metabocards_official	NA	NA
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	PFEM_hmdb_metabocards_urine	NA	urine
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	HMDB	NA	NA
+HMDB00262	Thymine	C5H6N2O2	126.042931	NA	HMDB2010	NA	NA
+HMDB02024	Imidazoleacetic acid	C5H6N2O2	126.042931	NA	HMDB2010	NA	NA
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	Inhouse_PFEM	NA	NA
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	Inhousejuil11	NA	NA
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	PFEM_hmdb_metabocards_blood	NA	blood
+LABER067	Thymine	NA	126.042931	RT 2.58 fragt 127, 110, 54, 56, 84	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0076	Imidazoleacetic acid isomers [(M-H)]-	C5H5N2O2	126.043525	C18rt(min)=0.94 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0076	Imidazoleacetic acid isomers [(M-H)]-	C5H5N2O2	126.043525	C18rt(min)=0.94 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3563	ACE inhibitor	AY	126.05	MH2+	Inhouse_peptide	NA	peptide
+7589	ACE inhibitor	YA	126.05	MH2+	Inhouse_peptide	NA	peptide
+7685	ACE inhibitor from garlic	SF	126.05	MH2+	Inhouse_peptide	NA	peptide
+7866	peptide from Okara protein	AY	126.05	MH2+	Inhouse_peptide	NA	peptide
+HMDB03192	5-Aminoimidazole-4-carboxamide	C4H6N4O	126.05416	http://www.hmdb.ca/metabolites/HMDB03192	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02128	2,4-Diamino-6-hydroxypyrimidine	C4H6N4O	126.05416	http://www.hmdb.ca/metabolites/HMDB02128	HMDB	NA	NA
+HMDB03192	5-Aminoimidazole-4-carboxamide	C4H6N4O	126.05416	http://www.hmdb.ca/metabolites/HMDB03192	HMDB	NA	NA
+MJ001015	5-Amino-4-imidazolecarboxyamide 	C4H6N4O	126.05416	NA	MeJP	NA	NA
+HMDB03192	5-Aminoimidazole-4-carboxamide	C4H6N4O	126.05416	http://www.hmdb.ca/metabolites/HMDB03192	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02128	2,4-Diamino-6-hydroxypyrimidine	C4H6N4O	126.05416	HMDB02128	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03192	5-Aminoimidazole-4-carboxamide	C4H6N4O	126.05416	HMDB03192	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02128	2,4-Diamino-6-hydroxypyrimidine	C4H6N4O	126.054161	NA	HMDB2010	NA	NA
+HMDB03192	5-Aminoimidazole-4-carboxamide	C4H6N4O	126.054161	NA	HMDB2010	NA	NA
+MetaCyc00566	5-amino-4-imidazolecarboxyamide [1H-imidazole-4-carboxamide, 5-amino-;5(4)-amino-4(5)-imidazolecarboxamide;5-aminoimidazole-4-carboxamide;4-amino-5-carbamoylimidazole;4-amino-5-imidazolecarboxamide;]	C4H6N4O1	126.054161	NA	metacyc	NA	NA
+C04051	5-Amino-4-imidazolecarboxyamide	C4H6N4O	126.0542	NA	KEGG	NA	NA
+7842	ACE inhibitor	HP	126.055	MH2+	Inhouse_peptide	NA	peptide
+7843	ACE inhibitor	PH	126.055	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00567	melamine [cyanurotriamide;cyanurotriamine;cyanuramide;isomelamine;theoharn;2,4,6-triamino-1,3,5-triazine;]	C3H6N6	126.065394	NA	metacyc	NA	NA
+C08737	Melamine	C3H6N6	126.0654	NA	KEGG	NA	NA
+MetaCyc00568	N3-methylcytosine []	C5H8N3O1	126.066737	NA	metacyc	NA	NA
+CJpos0187	Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+	C7H11O2	126.067575	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0187	Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+	C7H11O2	126.067575	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001016	2,4-Heptadienoic acid 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001017	2-Methyl-2,4-hexadienoic acid 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001018	3,4-Dimethyl-1,2-cyclopentanedione 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001019	3,5-Dimethyl-1,2-cyclopentanedione 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001020	3-Ethyl-1,2-cyclopentanedione 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001021	3-Heptene-2,5-dione 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001022	3-Methyl-1,2-cyclohexanedione 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001023	4,5-Dihydro-2,4-dimethyl-3-furancarboxaldehyde 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001024	4-Hepten-6-yne-2,3-diol 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001025	4-Hydroxy-4-methyl-2-cyclohexen-1-one 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MJ001026	Toluene-cis-1,2-dihydrodiol 	C7H10O2	126.068079	NA	MeJP	NA	NA
+MetaCyc00569	toluene-cis-1,2-dihydrodiol [toluene-cis-1,2-dihydroxydiol;toluene-cis-dihydrodiol;(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol;(+)-cis-1S,2R-dihydroxy-3-methyl-cyclohexa-3,5-diene;]	C7H10O2	126.06808	41977-20-2	metacyc	NA	NA
+C04592	Toluene-cis-dihydrodiol	C7H10O2	126.0681	NA	KEGG	NA	NA
+C12101	Cyclohex-1-enecarboxylic acid	C7H10O2	126.0681	NA	KEGG	NA	NA
+CJpos0188	Gly-pro (glycylproline) [(M+H)-(HCOOH)]+	C6H11N2O	126.078775	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0189	Pro-Gly (prolylglycine) [(M+H)-(HCOOH)]+	C6H11N2O	126.078775	C18rt(min)=0.98 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0188	Gly-pro (glycylproline) [(M+H)-(HCOOH)]+	C6H11N2O	126.078775	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0189	Pro-Gly (prolylglycine) [(M+H)-(HCOOH)]+	C6H11N2O	126.078775	C18rt(min)=0.98 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0190	Methylhistamine isomers [M+H]+ (13C)	C513CH12N3	126.098075	C18rt(min)=0.79 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0190	Methylhistamine isomers [M+H]+ (13C)	C513CH12N3	126.098075	C18rt(min)=0.79 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001027	1,4-Octadien-3-ol 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001028	1,5-Octadien-3-ol 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001029	1-Octen-3-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001030	2,4,4-Trimethylcyclopentanone 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001031	2,4-Dimethyl-2,4-hexadien-1-ol 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001032	2,4-Octadien-1-ol 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001033	2-Ethylcyclopentanecarboxaldehyde 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001034	2-Isopropylcyclopentanone 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001035	2-Octenal 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001036	3-Methyl-3-hepten-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001037	3-Methyl-5-hepten-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001038	3-Octen-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001039	4-Methyl-4-hepten-3-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001040	5,7-Octadien-3-ol 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001041	5-Ethyl-1-cyclopentene-1-methanol 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001042	5-Methyl-2-hepten-4-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001043	5-Octen-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001044	6-Methyl-3-hepten-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001045	6-Methyl-5-hepten-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001046	6-Methyl-6-hepten-2-one 	C8H14O	126.104465	NA	MeJP	NA	NA
+MJ001047	7-Octenal 	C8H14O	126.104465	NA	MeJP	NA	NA
+C07287	Sulcatone	C8H14O	126.1045	NA	KEGG	NA	NA
+CJneg0077	Azelaic acid [(M-H)-(H2O)-(CO2)]-	C8H13O	126.105025	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0077	Azelaic acid [(M-H)-(H2O)-(CO2)]-	C8H13O	126.105025	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc00570	1,5-diazabicyclononane [1,5-diazabicyclo[4.3.0]nonane;]	C7H14N2	126.115698	NA	metacyc	NA	NA
+MJ001048	1-Nonene 	C9H18	126.14085	NA	MeJP	NA	NA
+MJ001049	2-Methyl-2-octene 	C9H18	126.14085	NA	MeJP	NA	NA
+MJ001050	Isopropylcyclohexane 	C9H18	126.14085	NA	MeJP	NA	NA
+MJ001051	Iodine 	I	126.904468	NA	MeJP	NA	NA
+HMDB12238	Iodide	I	126.904472	NA	HMDB2010	NA	NA
+C00708	Iodide	I	126.9045	NA	KEGG	NA	NA
+MJ001052	Dichloroacetic acid; Amide 	C2H3Cl2NO	126.959169	NA	MeJP	NA	NA
+C14450	4-Chloroaniline	C6H6ClN	127.0189	NA	KEGG	NA	NA
+MJ001053	1H-Pyrazole-1-carbothioamide 	C4H5N3S	127.020417	NA	MeJP	NA	NA
+C03458	2,3,6-Trihydroxypyridine	C5H5NO3	127.0269	NA	KEGG	NA	NA
+MJ001054	4-Hydroxy-1H-pyrrole-2-carboxylic acid 	C5H5NO3	127.026943	NA	MeJP	NA	NA
+MetaCyc00571	2,3,6-trihydroxypyridine []	C5H5N1O3	127.026943	NA	metacyc	NA	NA
+CJpos0191	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+ (13C)	C513CH7O3	127.034475	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0191	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H4O)]+ (13C)	C513CH7O3	127.034475	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001055	5-Amino-4-imidazole carboxylate 	C4H5N3O2	127.038176	NA	MeJP	NA	NA
+MJ001056	2-Methyl-4(5)-nitroimidazole 	C4H5N3O2	127.038176	NA	MeJP	NA	NA
+MetaCyc00572	4-amino-5-imidazole carboxylate [5-amino-4-imidazole carboxylate;]	C4H5N3O2	127.038176	NA	metacyc	NA	NA
+C05516	5-Amino-4-imidazole carboxylate	C4H5N3O2	127.0382	NA	KEGG	NA	NA
+C16621	1-Methyl-4-nitroimidazole	C4H5N3O2	127.0382	NA	KEGG	NA	NA
+MJ001057	4-Isothiocyanato-2-methyl-1-butene 	C6H9NS	127.045569	NA	MeJP	NA	NA
+MJ001058	5-Isothiocyanato-1-pentene 	C6H9NS	127.045569	NA	MeJP	NA	NA
+MJ001059	Thiiranebutanoic acid; Nitrile 	C6H9NS	127.045569	NA	MeJP	NA	NA
+C08733	2-Hydroxy-4,6-diamino-1,3,5-triazine	C3H5N5O	127.0494	NA	KEGG	NA	NA
+MetaCyc00573	ammeline [ammelin;4,6-diamino-1,3,5-triazin-2-ol;2,4-diamino-1,3,5-triazin-6-one;]	C3H5N5O1	127.04941	NA	metacyc	NA	NA
+CJpos0192	4-Acetamidobutanoic acid [(M+H)-(H2O)]+	C6H10NO2	127.062775	C18rt(min)=1.02 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0193	4-Aminophenol (and isomers) [(M+H)+(H2O)]+	C6H10NO2	127.062775	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0192	4-Acetamidobutanoic acid [(M+H)-(H2O)]+	C6H10NO2	127.062775	C18rt(min)=1.02 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0193	4-Aminophenol (and isomers) [(M+H)+(H2O)]+	C6H10NO2	127.062775	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00450	(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate	C6H9NO2	127.0633	NA	KEGG	NA	NA
+C04092	delta1-Piperideine-2-carboxylate	C6H9NO2	127.0633	NA	KEGG	NA	NA
+C04093	poly-cis-Polyprenyl diphosphate	C5H12O7P2	127.0633	NA	KEGG	NA	NA
+C04096	(S)-2-Hydroxymonocarboxylic acid	C2H3O3R	127.0633	NA	KEGG	NA	NA
+C04097	2-alpha-D-Mannosylheteroglycan	C2H3O3R	127.0633	NA	KEGG	NA	NA
+C04098	3-alpha-D-Mannosylheteroglycan	C2H3O3R	127.0633	NA	KEGG	NA	NA
+C04099	1,4-alpha-D-Glucooligosaccharide	C2H3O3R	127.0633	NA	KEGG	NA	NA
+C08268	L-Baikiain	C6H9NO2	127.0633	NA	KEGG	NA	NA
+C08292	alpha-(Methylenecyclopropyl)glycine	C6H9NO2	127.0633	NA	KEGG	NA	NA
+C10149	Guvacine	C6H9NO2	127.0633	NA	KEGG	NA	NA
+C13694	Isoguvacine	C6H9NO2	127.0633	NA	KEGG	NA	NA
+MJ001060	2,3,4,5-Tetrahydropyridine-2-carboxylate 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001061	delta1-Piperideine-2-carboxylate 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001062	1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001063	1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001064	1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001065	2-Amino-3,5-hexadienoic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001066	2-Amino-3-methylene-4-pentenoic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001067	2-Amino-4,5-hexadienoic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001068	2-Amino-4-hexynoic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001069	2-Amino-5-hexynoic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001070	2-Azabicyclo[2.1.1]hexane-1-carboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001071	3,4,5,6-Tetrahydro-2-pyridinecarboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001072	3-Azabicyclo[3.1.0]hexane-2-carboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001073	4-Methylene-2-pyrrolidinecarboxylic acid 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001074	Jatropham, Me ether 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MJ001075	?-(Methylenecyclopropyl)glycine 	C6H9NO2	127.063328	NA	MeJP	NA	NA
+MetaCyc00574	&Delta;6-piperideine-2-carboxylate [&Delta;6-piperideine-2-L-carboxylate;]	C6H9N1O2	127.063329	NA	metacyc	NA	NA
+MetaCyc00575	&Delta;1-piperideine-2-carboxylate [2,3,4,5-tetrahydropyridine-2-carboxylate;1,2-didehydropiperidine-2-carboxylate;]	C6H9N1O2	127.063329	2756-89-0	metacyc	NA	NA
+MetaCyc00576	N-ethylsuccinimide [ethylsuccinimide;succinimide, N-ethyl;]	C6H9N1O2	127.063329	NA	metacyc	NA	NA
+MetaCyc00577	&Delta;1-piperidine-6-carboxylate [&Delta;1-piperidine-6-carboxylic acid;2,3,4,5-tetrahydropyridine-2-carboxylate;]	C6H9N1O2	127.063329	NA	metacyc	NA	NA
+HMDB01084	D-1-Piperideine-2-carboxylic acid	C6H9NO2	127.06333	http://www.hmdb.ca/metabolites/HMDB01084	HMDB	NA	NA
+HMDB01084	D-1-Piperideine-2-carboxylic acid	C6H9NO2	127.06333	HMDB01084	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01084	D-1-Piperideine-2-carboxylic acid	C6H9NO2	127.063332	NA	HMDB2010	NA	NA
+HMDB12130	(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate	C6H9NO2	127.063332	NA	HMDB2010	NA	NA
+CJpos0194	Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+ (13C)	C613CH11O2	127.070875	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0194	Dihydroxyphenylethyleneglycol isomer [(M+H)-(CO2)]+ (13C)	C613CH11O2	127.070875	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0195	N-Acetylleucine  [(M+H)-(HCOOH)]+	C7H14NO	127.099175	C18rt(min)=6.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0195	N-Acetylleucine  [(M+H)-(HCOOH)]+	C7H14NO	127.099175	C18rt(min)=6.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11519	N-Cyclohexylformamide	C7H13NO	127.0997	NA	KEGG	NA	NA
+MJ001076	Hygrine, N-De-Me 	C7H13NO	127.099714	NA	MeJP	NA	NA
+MetaCyc00578	N-cyclohexylformamide []	C7H13N1O1	127.099714	NA	metacyc	NA	NA
+C08303	Galegine	C6H13N3	127.1109	NA	KEGG	NA	NA
+MJ001077	Galegine 	C6H13N3	127.110947	NA	MeJP	NA	NA
+MetaCyc00579	1-(3-aminopropyl)-pyrrolinium []	C7H15N2	127.123523	NA	metacyc	NA	NA
+MJ001078	2,6-Dimethylpiperidine, N-Me 	C8H17N	127.136099	NA	MeJP	NA	NA
+MJ001079	2-Cyclohexylethylamine 	C8H17N	127.136099	NA	MeJP	NA	NA
+MJ001080	2-Propylpiperidine 	C8H17N	127.136099	NA	MeJP	NA	NA
+C06523	Coniine	C8H17N	127.1361	NA	KEGG	NA	NA
+MetaCyc00580	NiCl2 [NiCl2;Nickel Chloride;dichloronickel;]	CL2NI1	127.873053	NA	metacyc	NA	NA
+C14711	Nickel chloride	NiCl2	127.8731	NA	KEGG	NA	NA
+MetaCyc00581	selenite []	O3SE1	127.901266	NA	metacyc	NA	NA
+HMDB11119	Selenite	O3Se	127.901268	NA	HMDB2010	NA	NA
+C05684	Selenite	SeO3	127.9013	NA	KEGG	NA	NA
+C02661	Bromochloromethane	CH2BrCl	127.9028	NA	KEGG	NA	NA
+C02664	Cobra venom factor	CH2BrCl	127.9028	NA	KEGG	NA	NA
+C02665	Collagen alpha1(I)	CH2BrCl	127.9028	NA	KEGG	NA	NA
+MJ001081	Bromochloromethane 	CH2BrCl	127.90284	NA	MeJP	NA	NA
+MetaCyc00582	bromochloromethane [Methylene chlorobromide;]	C1H2CL1BR1	127.90284	74-97-5	metacyc	NA	NA
+C05590	HI	HI	127.9123	NA	KEGG	NA	NA
+MetaCyc00583	dithionite [S2O42-;]	O4S2	127.9238	NA	metacyc	NA	NA
+C17478	Calcium oxalate	C2O4	127.9423	NA	KEGG	NA	NA
+C11149	Dichloroacetate	C2H2Cl2O2	127.9432	NA	KEGG	NA	NA
+MJ001082	1,3-Dichloro-2-propanol 	C3H6Cl2O	127.97957	NA	MeJP	NA	NA
+C14399	1,3-Dichloro-2-propanol	C3H6Cl2O	127.9796	NA	KEGG	NA	NA
+MJ001083	4-Chlorophenol 	C6H5ClO	128.002892	NA	MeJP	NA	NA
+C02124	4-Chlorophenol	C6H5ClO	128.0029	NA	KEGG	NA	NA
+C02125	4-Nitroanilide	C7H5N2O3R	128.0029	NA	KEGG	NA	NA
+C14219	2-Chlorophenol	C6H5ClO	128.0029	NA	KEGG	NA	NA
+C14270	3-Chlorophenol	C6H5ClO	128.0029	NA	KEGG	NA	NA
+MJ001084	2,3-Dihydro-2-thioxo-4(1H)-pyrimidinone 	C4H4N2OS	128.004433	NA	MeJP	NA	NA
+MJ001085	2-Hydroxy-4-mercaptopyrimidine 	C4H4N2OS	128.004433	NA	MeJP	NA	NA
+JH120	Citric acid [M+H-HCOOH-H2O]+	NA	128.0109	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH120	Citric acid [M+H-HCOOH-H2O]+	NA	128.0109	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH120	Citric acid [M+H-HCOOH-H2O]+	NA	128.0109	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH120	Citric acid [M+H-HCOOH-H2O]+	NA	128.0109	2.57	Inhousejuil11	NA	NA
+MJ001086	3,5-Dihydroxy-4H-pyran-4-one 	C5H4O4	128.010958	NA	MeJP	NA	NA
+MJ001087	Barbiturate 	C4H4N2O3	128.022192	NA	MeJP	NA	NA
+MJ001088	2,3-Dihydro-2-oxo-1H-imidazole-4-carboxylic acid 	C4H4N2O3	128.022192	NA	MeJP	NA	NA
+MetaCyc00584	barbiturate []	C4H4N2O3	128.022192	NA	metacyc	NA	NA
+C00813	Barbiturate	C4H4N2O3	128.0222	NA	KEGG	NA	NA
+C11116	Methylparabanic acid	C4H4N2O3	128.0222	NA	KEGG	NA	NA
+MJ001089	2-Nonene-4,6,8-triynal 	C9H4O	128.026214	NA	MeJP	NA	NA
+C16472	3-Fluorocatechol	C6H5FO2	128.0274	NA	KEGG	NA	NA
+C16473	4-Fluorocatechol	C6H5FO2	128.0274	NA	KEGG	NA	NA
+MJ001090	2-Furanmethanethiol; S-Me 	C6H8OS	128.029585	NA	MeJP	NA	NA
+C08734	2,4-Dihydroxy-6-amino-1,3,5-triazine	C3H4N4O2	128.0334	NA	KEGG	NA	NA
+MetaCyc00585	ammelide [ammedlide;2,4-dihydroxy-6-amino-1,3,5-triazine;6-amino-1,3,5-triazine-2,4-diol;]	C3H4N4O2	128.033425	NA	metacyc	NA	NA
+C17927	Thiazolylethylamine	C5H8N2S	128.0408	NA	KEGG	NA	NA
+MJ001091	2-(2-Aminoethyl)thiazole 	C5H8N2S	128.040818	NA	MeJP	NA	NA
+CJpos0196	Adipoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+	C6H9O3	128.046775	C18rt(min)=5.25 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0197	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+	C6H9O3	128.046775	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0198	Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+	C6H9O3	128.046775	C18rt(min)=4.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0196	Adipoylcarnitine [(M+H)-NC3H9-C4H4O2-H2O]+	C6H9O3	128.046775	C18rt(min)=5.25 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0197	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+	C6H9O3	128.046775	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0198	Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+	C6H9O3	128.046775	C18rt(min)=4.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01125	Dihydro-4,4-dimethyl-2,3-Furandione	C6H8O3	128.0473	NA	KEGG	NA	NA
+C06719	Dihydrophloroglucinol	C6H8O3	128.0473	NA	KEGG	NA	NA
+C06761	(4E)-2-Oxohexenoic acid	C6H8O3	128.0473	NA	KEGG	NA	NA
+C11354	2-Hydroxy-cis-hex-2,4-dienoate	C6H8O3	128.0473	NA	KEGG	NA	NA
+MJ001092	2-Oxohex-trans-4-enoate 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001093	2,5-Furandimethanol 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001094	3-Hydroxy-4,5-dimethyl-2(5H)-furanone 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001095	4,5-Dihydroxy-3-methyl-2-cyclopenten-1-one 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001096	4-Hydroxy-2,5-dimethyl-3(2H)-furanone 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001097	5,6-Dihydro-4-methoxy-2H-pyran-2-one 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001098	5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001099	5-(1-Hydroxyethyl)-2(5H)-furanone 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001100	5-Acetyltetrahydro-2(3H)-furanone 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MJ001101	5-Hydroxymethyl-4-methyl-2(5H)-furanone 	C6H8O3	128.047344	NA	MeJP	NA	NA
+MetaCyc00586	dihydrophloroglucinol []	C6H8O3	128.047344	NA	metacyc	NA	NA
+MetaCyc00587	2-oxopantoyl lactone [2-dehydropantolactone;2-dehydropantoyl lactone;]	C6H8O3	128.047344	NA	metacyc	NA	NA
+CJneg0078	2,2-dimethylsuccinic acid [(M-H)-(H2O)]-	C6H7O3	128.047925	C18rt(min)=5.63 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0078	2,2-dimethylsuccinic acid [(M-H)-(H2O)]-	C6H7O3	128.047925	C18rt(min)=5.63 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0199	Dihydrothymine [(M+H)]+	C5H9N2O2	128.058075	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0200	Dihydrothymine isomer [(M+H)]+	C5H9N2O2	128.058075	C18rt(min)=5.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0201	Glutamine [(M+H)-(H2O)]+	C5H9N2O2	128.058075	C18rt(min)=0.87 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0199	Dihydrothymine [(M+H)]+	C5H9N2O2	128.058075	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0200	Dihydrothymine isomer [(M+H)]+	C5H9N2O2	128.058075	C18rt(min)=5.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0201	Glutamine [(M+H)-(H2O)]+	C5H9N2O2	128.058075	C18rt(min)=0.87 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001102	5,6-Dihydrothymine 	C5H8N2O2	128.058577	NA	MeJP	NA	NA
+MJ001103	alpha-Amino-gamma-cyanobutanoate 	C5H8N2O2	128.058577	NA	MeJP	NA	NA
+MJ001104	gamma-Amino-gamma-cyanobutanoate 	C5H8N2O2	128.058577	NA	MeJP	NA	NA
+MJ001105	3-Methyl-2,5-piperazinedione 	C5H8N2O2	128.058577	NA	MeJP	NA	NA
+MJ001106	5(4H)-Isoxazolone; 2H-Oxo-form, N-(2-Aminoethyl) 	C5H8N2O2	128.058577	NA	MeJP	NA	NA
+MJ001107	Squamolone 	C5H8N2O2	128.058577	NA	MeJP	NA	NA
+HMDB00079	Dihydrothymine	C5H8N2O2	128.058578	NA	HMDB2010	NA	NA
+MetaCyc00588	dihydro-thymine [dihydrothymine;]	C5H8N2O2	128.058578	NA	metacyc	NA	NA
+HMDB00079	Dihydrothymine	C5H8N2O2	128.05858	http://www.hmdb.ca/metabolites/HMDB00079	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00079	Dihydrothymine	C5H8N2O2	128.05858	http://www.hmdb.ca/metabolites/HMDB00079	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00079	Dihydrothymine	C5H8N2O2	128.05858	http://www.hmdb.ca/metabolites/HMDB00079	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00079	Dihydrothymine	C5H8N2O2	128.05858	http://www.hmdb.ca/metabolites/HMDB00079	HMDB	NA	NA
+HMDB00079	Dihydrothymine	C5H8N2O2	128.05858	HMDB00079	PFEM_hmdb_metabocards_official	NA	NA
+C00906	5,6-Dihydrothymine	C5H8N2O2	128.0586	NA	KEGG	NA	NA
+C00907	Gelatin type V	C5H8N2O2	128.0586	NA	KEGG	NA	NA
+C05715	gamma-Amino-gamma-cyanobutanoate	C5H8N2O2	128.0586	NA	KEGG	NA	NA
+C05717	alpha-Amino-gamma-cyanobutanoate	C5H8N2O2	128.0586	NA	KEGG	NA	NA
+C05718	2-Oxoacid oxime	C2H2NO3R	128.0586	NA	KEGG	NA	NA
+C05720	Reduced 2,6-Dichlorophenolindophenol	C2H2NO3R	128.0586	NA	KEGG	NA	NA
+C05721	Reduced methylene blue	C2H2NO3R	128.0586	NA	KEGG	NA	NA
+C05723	Poly-gamma-D-glutamate	C2H2NO3R	128.0586	NA	KEGG	NA	NA
+C05726	S-Substituted L-cysteine	C3H6NO2SR	128.0586	NA	KEGG	NA	NA
+C05727	S-Substituted N-acetyl-L-cysteine	C5H8NO3SR	128.0586	NA	KEGG	NA	NA
+C05729	R-S-Cysteinylglycine	C5H9N2O3SR	128.0586	NA	KEGG	NA	NA
+CJneg0079	Dihydrothymine isomer [(M-H)]-	C5H7N2O2	128.059125	C18rt(min)=5.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0079	Dihydrothymine isomer [(M-H)]-	C5H7N2O2	128.059125	C18rt(min)=5.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00829	Naphthalene	C10H8	128.0626	NA	KEGG	NA	NA
+C13392	Azulene	C10H8	128.0626	NA	KEGG	NA	NA
+C13393	Transferred to D02405	C10H8	128.0626	NA	KEGG	NA	NA
+C13394	Transferred to D01918	C10H8	128.0626	NA	KEGG	NA	NA
+C13395	Transferred to D01919	C10H8	128.0626	NA	KEGG	NA	NA
+C13396	Transferred to D01920	C10H8	128.0626	NA	KEGG	NA	NA
+C13397	Transferred to D01921	C10H8	128.0626	NA	KEGG	NA	NA
+C13398	Transferred to D01922	C10H8	128.0626	NA	KEGG	NA	NA
+C13399	Transferred to D01923	C10H8	128.0626	NA	KEGG	NA	NA
+MJ001108	Azulene 	C10H8	128.0626	NA	MeJP	NA	NA
+MJ001109	Naphthalene 	C10H8	128.0626	NA	MeJP	NA	NA
+MetaCyc00589	naphthalene [naphthalene-ring;]	C10H8	128.0626	91-20-3	metacyc	NA	NA
+C08487	Ethyl 2-methylbut-2-enoate	C7H12O2	128.0837	NA	KEGG	NA	NA
+C09822	Cyclohexane-1-carboxylate	C7H12O2	128.0837	NA	KEGG	NA	NA
+C10921	Butyl acrylate	C7H12O2	128.0837	NA	KEGG	NA	NA
+C10976	1-Oxa-2-oxo-3-methylcycloheptane	C7H12O2	128.0837	NA	KEGG	NA	NA
+C11950	3-Isopropylbut-3-enoic acid	C7H12O2	128.0837	NA	KEGG	NA	NA
+C13714	alpha-EMGBL	C7H12O2	128.0837	NA	KEGG	NA	NA
+C13717	beta-EMGBL	C7H12O2	128.0837	NA	KEGG	NA	NA
+MJ001110	1-Hydroxy-3-methylene-2-pentanone; Me ether 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001111	2-Hexenoic acid, Me ester 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001112	2-Methyl-2-butenoic acid, Et ester 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001113	3,4-Heptanedione 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001114	3-Hexen-1-ol, Formyl 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001115	3-Hexenoic acid, Me ester 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001116	3-Methyl-2-buten-1-ol; Ac 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001117	3-Methyl-2-hexenoic acid 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001118	4-Heptenoic acid 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001119	5-Methyl-2,3-hexanedione 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001120	Cyclohexanecarboxylic acid 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001121	Dihydro-5-propyl-2(3H)-furanone 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MJ001122	Tetrahydro-3,6-dimethyl-2H-pyran-2-one 	C7H12O2	128.083729	NA	MeJP	NA	NA
+MetaCyc00590	cyclohexane-1-carboxylate []	C7H12O2	128.08373	NA	metacyc	NA	NA
+MJ001123	2-Piperidinecarboxylic acid, Amide 	C6H12N2O	128.094963	NA	MeJP	NA	NA
+MetaCyc00591	L-2-amino-hexano-6-lactam []	C6H12N2O1	128.094963	NA	metacyc	NA	NA
+MetaCyc00592	D-2-amino-hexano-6-lactam []	C6H12N2O1	128.094963	NA	metacyc	NA	NA
+MetaCyc00593	L-lysine 1,6-lactam []	C6H12N2O1	128.094963	NA	metacyc	NA	NA
+C02837	L-Lysine 1,6-lactam	C6H12N2O	128.095	NA	KEGG	NA	NA
+C05328	D-2-Amino-hexano-6-lactam	C6H12N2O	128.095	NA	KEGG	NA	NA
+C05329	(2R)-2-Methylacyl-CoA	C24H39N7O17P3SR	128.095	NA	KEGG	NA	NA
+C01545	1-Octanal	C8H16O	128.1201	NA	KEGG	NA	NA
+C07288	Sulcatol	C8H16O	128.1201	NA	KEGG	NA	NA
+C14272	1-Octen-3-ol	C8H16O	128.1201	NA	KEGG	NA	NA
+C17145	3-Octanone	C8H16O	128.1201	NA	KEGG	NA	NA
+MJ001124	1-Octen-3-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001125	2,5-Diethyltetrahydrofuran 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001126	2-Ethylhexanal 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001127	2-Octanone 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001128	2-Octen-1-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001129	3-Octanone 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001130	3-Octen-1-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001131	4-Methyl-3-heptanone 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001132	5-Methyl-3-heptanone 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001133	5-Octen-1-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001134	6-Methyl-2-heptanone 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001135	6-Methyl-2-hepten-4-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001136	6-Methyl-5-hepten-2-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001137	7-Octen-4-ol 	C8H16O	128.120115	NA	MeJP	NA	NA
+MJ001138	Octanal 	C8H16O	128.120115	NA	MeJP	NA	NA
+MetaCyc00594	1-octanal [1-Caprylaldehyde;1-Octylaldehyde;1-Octaldehyde;]	C8H16O1	128.120115	124-13-0	metacyc	NA	NA
+HMDB01140	Octanal	C8H16O	128.120117	NA	HMDB2010	NA	NA
+HMDB01140	Octanal	C8H16O	128.12012	http://www.hmdb.ca/metabolites/HMDB01140	HMDB	NA	NA
+HMDB01140	Octanal	C8H16O	128.12012	HMDB01140	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0202	Spermidine [(M+H)-(NH3)]+	C7H17N2	128.130775	C18rt(min)=0.71 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0202	Spermidine [(M+H)-(NH3)]+	C7H17N2	128.130775	C18rt(min)=0.71 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001139	(Cyclohexylmethyl)hydrazine 	C7H16N2	128.131348	NA	MeJP	NA	NA
+MJ001140	Nonane 	C9H20	128.1565	NA	MeJP	NA	NA
+MJ001141	2,2,3,4-Tetramethylpentane 	C9H20	128.1565	NA	MeJP	NA	NA
+MJ001142	2,3,4-Trimethylhexane 	C9H20	128.1565	NA	MeJP	NA	NA
+MJ001143	2-Methyloctane 	C9H20	128.1565	NA	MeJP	NA	NA
+MJ001144	3,4-Dimethylheptane 	C9H20	128.1565	NA	MeJP	NA	NA
+MJ001145	3,5-Dimethylheptane 	C9H20	128.1565	NA	MeJP	NA	NA
+HMDB00086	Glycerophosphocholine	C8H20NO6P	128.551407	MH2+	Inhouse_peptide	NA	peptide
+3375	ACE inhibitor	AAP	128.563	MH2+	Inhouse_peptide	NA	peptide
+MJ001146	Cobalt(II) chloride (CoCl2) 	Cl2Co	128.870905	NA	MeJP	NA	NA
+MetaCyc00595	CoCl2 [Cobaltous Chloride;dichlorocobalt;]	CL2COBALT1	128.870906	NA	metacyc	NA	NA
+C06554	Cyanuric acid	C3H3N3O3	129.0174	NA	KEGG	NA	NA
+MetaCyc00596	cyanurate [cyanuric acid;sym-triazine-2,4,6-triol;sym-triazinetriol;triazinetriol;1,3,5-triazine-2,4,6(1H,3H,5H)-trione;triazine-2,4,6(1H,3H,5H)-trione;triazine-2,4,6-triol;1,3,5-triazine-2,4,6-triol;triazinetrione;trihydroxycyanidine;trihydroxy-1,3,5-triazine;2,4,6-trihydroxy-1,3,5-triazine;pseudocyanuric acid;tricarbimide;tricyanic acid;isocyanuric acid;]	C3H3N3O3	129.017441	108-80-5	metacyc	NA	NA
+C16817	Goitrin	C5H7NOS	129.0248	NA	KEGG	NA	NA
+MJ001147	5-Vinyl-2-oxazolidinethione 	C5H7NOS	129.024834	NA	MeJP	NA	NA
+MJ001148	4-Amino-5-fluoro-2-hydroxypyrimidine 	C4H4FN3O	129.033839	NA	MeJP	NA	NA
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR307	Gluthation oxyde F9	NA	129.036675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR307	Gluthation oxyde F9	NA	129.036675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR307	Gluthation oxyde F9	NA	129.036675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR307	Gluthation oxyde F9	NA	129.036675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR307	glutathione oxidized F9	F9	129.036675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH039	Glutamine [M+H-NH3]+	NA	129.037	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH039	Glutamine [M+H-NH3]+	NA	129.037	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH039	Glutamine [M+H-NH3]+	NA	129.037	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH039	Glutamine [M+H-NH3]+	NA	129.037	1.28	Inhousejuil11	NA	NA
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR220	Acide Glutamique F2	NA	129.039475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR220	Acide Glutamique F2	NA	129.039475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR220	Acide Glutamique F2	NA	129.039475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR220	Acide Glutamique F2	NA	129.039475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR220	Glutamic acid F2	F2	129.039475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH041	Glutamic acid [M+H-H20]+	NA	129.0406	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH041	Glutamic acid [M+H-H20]+	NA	129.0406	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH041	Glutamic acid [M+H-H20]+	NA	129.0406	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH041	Glutamic acid [M+H-H20]+	NA	129.0406	1.23	Inhousejuil11	NA	NA
+JH144	Alanyl glutamine [glutamine-NH3]+	NA	129.0412	1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH144	Alanyl glutamine [glutamine-NH3]+	NA	129.0412	1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH144	Alanyl glutamine [glutamine-NH3]+	NA	129.0412	1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH144	Alanyl glutamine [glutamine-NH3]+	NA	129.0412	1.12	Inhousejuil11	NA	NA
+CJpos0203	Oxoproline [(M+H)]+	C5H8NO3	129.042075	C18rt(min)=1.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0204	Phenylacetylglutamine [(M+H)-(C8H9NO)]+	C5H8NO3	129.042075	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0205	Oxoproline [(M+H)]+	C5H8NO3	129.042075	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0206	Oxoproline isomer [(M+H)]+	C5H8NO3	129.042075	C18rt(min)=5.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0203	Oxoproline [(M+H)]+	C5H8NO3	129.042075	C18rt(min)=1.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0204	Phenylacetylglutamine [(M+H)-(C8H9NO)]+	C5H8NO3	129.042075	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0205	Oxoproline [(M+H)]+	C5H8NO3	129.042075	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0206	Oxoproline isomer [(M+H)]+	C5H8NO3	129.042075	C18rt(min)=5.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.042587	NA	HMDB2010	NA	NA
+HMDB00805	Pyrrolidonecarboxylic acid	C5H7NO3	129.042587	NA	HMDB2010	NA	NA
+HMDB01369	Pyrroline hydroxycarboxylic acid	C5H7NO3	129.042587	NA	HMDB2010	NA	NA
+HMDB01843	N-Acryloylglycine	C5H7NO3	129.042587	NA	HMDB2010	NA	NA
+HMDB02234	1-Pyrroline-4-hydroxy-2-carboxylate	C5H7NO3	129.042587	NA	HMDB2010	NA	NA
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00267	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00267	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00267	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00267	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00267	HMDB	NA	NA
+HMDB00805	Pyrrolidonecarboxylic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00805	HMDB	NA	NA
+HMDB01369	Pyrroline hydroxycarboxylic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB01369	HMDB	NA	NA
+HMDB01843	N-Acryloylglycine	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB01843	HMDB	NA	NA
+HMDB02234	1-Pyrroline-4-hydroxy-2-carboxylate	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB02234	HMDB	NA	NA
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	NA  ;SYN:2-Amino-3-hydroxybenzoate; 2-Amino-3-hydroxybenzoic acid; 2-amino-3-hydroxy-Benzoate; 2-amino-3-hydroxy-Benzoic acid; 3-Hydroxy-2-aminobenzoate; 3-Hydroxy-2-aminobenzoic acid; 3-Hydroxy-anthranilsaeure; 3-hydroxyanthranilic acid; 3-Hydroxyanthranilate; 3-OHAA; 3-OH-anthranilic acid; 3-Oxyanthranilate; 3-Oxyanthranilic acid; 3-hydroxanthranilate; 3-hydroxyantranilic acid; 3-hydroxy-Anthranilate; 3-hydroxy-Anthranilic acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	http://www.hmdb.ca/metabolites/HMDB00267	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00267	Pyroglutamic acid	C5H7NO3	129.04259	HMDB00267	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00805	Pyrrolidonecarboxylic acid	C5H7NO3	129.04259	HMDB00805	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01369	Pyrroline hydroxycarboxylic acid	C5H7NO3	129.04259	HMDB01369	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01843	N-Acryloylglycine	C5H7NO3	129.04259	HMDB01843	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02234	1-Pyrroline-4-hydroxy-2-carboxylate	C5H7NO3	129.04259	HMDB02234	PFEM_hmdb_metabocards_official	NA	NA
+MJ001149	2-Amino-3-hydroxy-4-pentynoic acid 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001150	3,4-Dihydro-4-hydroxy-2H-pyrrole-2-carboxylic acid 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001151	4-Oxo-2-pyrrolidinecarboxylic acid 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001152	5,5-Dimethyl-2,4-oxazolidinedione 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001153	5-Oxo-2-pyrrolidinecarboxylic acid 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001154	?-Oxo-1-azetidineacetic acid 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001155	1-Pyrroline-4-hydroxy-2-carboxylate 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001156	4-Oxoproline 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001157	5-Oxo-D-proline 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001158	5-Oxoproline 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MJ001159	L-1-Pyrroline-3-hydroxy-5-carboxylate 	C5H7NO3	129.042593	NA	MeJP	NA	NA
+MetaCyc00597	pyrroline-hydroxy-carboxylate [L-&Delta;1-pyrroline 3-hydroxy-5-carboxylate;]	C5H7N1O3	129.042593	NA	metacyc	NA	NA
+MetaCyc00598	pyrrolidone-carboxylate [pyrrolidone-COO;]	C5H7N1O3	129.042593	98-79-3	metacyc	NA	NA
+MetaCyc00599	5-oxo-D-proline [D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid;]	C5H7N1O3	129.042593	4042-36-8	metacyc	NA	NA
+MetaCyc00600	1-pyrroline-4-hydroxy-2-carboxylate []	C5H7N1O3	129.042593	NA	metacyc	NA	NA
+MetaCyc00601	5-oxoproline [L-5-pyrrolidone-2-carboxylic acid;L-pyroglutamic acid;5-oxo-L-proline;pyroglutamic acid;pyroglutamate;5-pyrrolidone-2-carboxylic acid;]	C5H7N1O3	129.042593	98-79-3	metacyc	NA	NA
+MetaCyc00602	4-oxoproline [4-oxopyrrolidine-2-carboxylic acid;]	C5H7N1O3	129.042593	NA	metacyc	NA	NA
+EUR607	L-Pyroglutamic acid 	[M+H]+	129.0426	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR607	L-Pyroglutamic acid 	[M+H]+	129.0426	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR607	L-Pyroglutamic acid 	[M+H]+	129.0426	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR607	L-Pyroglutamic acid 	[M+H]+	129.0426	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C01877	4-Oxoproline	C5H7NO3	129.0426	NA	KEGG	NA	NA
+C01879	5-Oxoproline	C5H7NO3	129.0426	NA	KEGG	NA	NA
+C02237	5-Oxo-D-proline	C5H7NO3	129.0426	NA	KEGG	NA	NA
+C04281	L-1-Pyrroline-3-hydroxy-5-carboxylate	C5H7NO3	129.0426	NA	KEGG	NA	NA
+C04282	1-Pyrroline-4-hydroxy-2-carboxylate	C5H7NO3	129.0426	NA	KEGG	NA	NA
+C04283	2'-Deoxyribonucleoside triphosphate	C5H12O12P3R	129.0426	NA	KEGG	NA	NA
+JH018	Pyroglutamic acid (DL) [M+H]+	C5H7NO3	129.0427	2.45	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH018	Pyroglutamic acid (DL) [M+H]+	C5H7NO3	129.0427	2.45	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH018	Pyroglutamic acid (DL) [M+H]+	C5H7NO3	129.0427	2.45	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH018	Pyroglutamic acid (DL) [M+H]+	C5H7NO3	129.0427	2.45	Inhousejuil11	NA	NA
+CJneg0080	Oxoproline [(M-H)]-	C5H6NO3	129.043125	C18rt(min)=1.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0081	Oxoproline [(M-H)]-	C5H6NO3	129.043125	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0082	N-Acetylaspartic acid [(M-H)-(HCOOH)]-	C5H6NO3	129.043125	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0080	Oxoproline [(M-H)]-	C5H6NO3	129.043125	C18rt(min)=1.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0081	Oxoproline [(M-H)]-	C5H6NO3	129.043125	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0082	N-Acetylaspartic acid [(M-H)-(HCOOH)]-	C5H6NO3	129.043125	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	HMDB	NA	NA
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	Inhouse_PFEM	NA	NA
+MLBis019	Pyroglutamic acid	NA	129.0432	130.0504	Inhouse_sept12	NA	NA
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis019	Pyroglutamic acid	HMDB00267_RT3.2_add84	129.0432	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0207	Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+ (13C)	C513CH9O3	129.050175	C18rt(min)=4.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0208	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+ (13C)	C513CH9O3	129.050175	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0207	Hydroxysuberic acid isomer [(M+H)-(C2H6O2)]+ (13C)	C513CH9O3	129.050175	C18rt(min)=4.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0208	Dihydroxyphenylethyleneglycol isomer [(M+H)-(C2H2O)]+ (13C)	C513CH9O3	129.050175	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C06323	Isoquinoline	C9H7N	129.0578	NA	KEGG	NA	NA
+C06413	Quinoline	C9H7N	129.0578	NA	KEGG	NA	NA
+HMDB11664	3-Methylene-indolenine	C9H7N	129.057846	NA	HMDB2010	NA	NA
+MJ001160	Isoquinoline 	C9H7N	129.057849	NA	MeJP	NA	NA
+MJ001161	Quinoline 	C9H7N	129.057849	NA	MeJP	NA	NA
+MetaCyc00603	quinoline []	C9H7N1	129.057849	91-22-5	metacyc	NA	NA
+MetaCyc00604	isoquinoline []	C9H7N1	129.057849	119-65-3	metacyc	NA	NA
+MJ001162	1-Isothiocyanato-2-methylbutane 	C6H11NS	129.06122	NA	MeJP	NA	NA
+MJ001163	1-Isothiocyanato-3-methylbutane 	C6H11NS	129.06122	NA	MeJP	NA	NA
+MJ001164	1-Isothiocyanatopentane 	C6H11NS	129.06122	NA	MeJP	NA	NA
+MJ001165	2,5-Dihydro-2,4,5-trimethylthiazole 	C6H11NS	129.06122	NA	MeJP	NA	NA
+MJ001166	5-Mercaptopentanoic acid; S-Me, nitrile 	C6H11NS	129.06122	NA	MeJP	NA	NA
+CJpos0209	Pipecolic acid [(M+H)]+	C6H12NO2	129.078475	C18rt(min)=1.06 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0209	Pipecolic acid [(M+H)]+	C6H12NO2	129.078475	C18rt(min)=1.06 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001167	L-Pipecolate 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001168	N4-Acetylaminobutanal 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001169	Nitrobenzene 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001170	1-Amino-2-ethylcyclopropanecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001171	1-Amino-3-methylcyclobutanecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001172	1-Aminocyclopentanecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001173	2-Amino-3-cyclopropylpropanoic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001174	2-Amino-3-methyl-3-pentenoic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001175	2-Amino-3-methylenepentanoic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001176	2-Amino-4-hexenoic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001177	2-Amino-5-hexenoic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001178	2-Aminocyclopentanecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001179	2-Piperidinecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001180	2-Pyrrolidineacetic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001181	3-Aminocyclopentanecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001182	3-Pyrrolidinecarboxylic acid; N-Me 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001183	4-Amino-5-hexenoic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001184	4-Methyl-2-pyrrolidinecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001185	5-Methyl-2-pyrrolidinecarboxylic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001186	?-Amino-1-methylcyclopropaneacetic acid 	C6H11NO2	129.078978	NA	MeJP	NA	NA
+MJ001187	4-Azoniaspiro[3.3]heptane-2,6-diol 	C6H12NO2(+)	129.078978	NA	MeJP	NA	NA
+HMDB00070	Pipecolic acid	C6H11NO2	129.078979	NA	HMDB2010	NA	NA
+HMDB00716	L-Pipecolic acid	C6H11NO2	129.078979	NA	HMDB2010	NA	NA
+HMDB04226	N4-Acetylaminobutanal	C6H11NO2	129.078979	NA	HMDB2010	NA	NA
+HMDB05960	D-Pipecolic acid	C6H11NO2	129.078979	NA	HMDB2010	NA	NA
+MetaCyc00605	L-pipecolate [pipecolate;]	C6H11N1O2	129.078979	3105-95-1	metacyc	NA	NA
+MetaCyc00606	monomethyl proline []	C6H11N1O2	129.078979	NA	metacyc	NA	NA
+MetaCyc00607	N-acetyl-4-aminobutanal [N-acetyl-&gamma;-aminobutyraldehyde;]	C6H11N1O2	129.078979	NA	metacyc	NA	NA
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00070	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00070	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00716	L-Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00716	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05960	D-Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB05960	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00070	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00070	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00070	HMDB	NA	NA
+HMDB00716	L-Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00716	HMDB	NA	NA
+HMDB04226	N4-Acetylaminobutanal	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB04226	HMDB	NA	NA
+HMDB05960	D-Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB05960	HMDB	NA	NA
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	NA  ;SYN:(+)-pyridinoline; 1-(2S)-(+)-pyridinoline; 4-((2S)-2-amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt; Hydroxylysylpyridinoline; PyridinolineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00716	L-Pipecolic acid	C6H11NO2	129.07898	NA  ;SYN:1H-imidazol-4-ylacetic acid; 1H-Imidazole-4-acetic acid; 4(5)-Imidazoleacetate; 4-Imidazoleacetate; 4-Imidazoleacetic acid; IAA; IMAC; imidazol-4-ylacetic acid; Imidazole acetate; Imidazole-4-acetate; Imidazole-4-acetic acid; Imidazolyl-4-acetic acid; IZC; Lopac-I-0375H2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB05960	D-Pipecolic acid	C6H11NO2	129.07898	Long chain acyl carnitines  ;SYN:(2E)-Hexadecenoyl-carnitine; trans-2-Hexadecenoyl-carnitineH2Blood	Inhouse_peptide	NA	peptide
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00070	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00716	L-Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB00716	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05960	D-Pipecolic acid	C6H11NO2	129.07898	http://www.hmdb.ca/metabolites/HMDB05960	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00070	Pipecolic acid	C6H11NO2	129.07898	HMDB00070	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00716	L-Pipecolic acid	C6H11NO2	129.07898	HMDB00716	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04226	N4-Acetylaminobutanal	C6H11NO2	129.07898	HMDB04226	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05960	D-Pipecolic acid	C6H11NO2	129.07898	HMDB05960	PFEM_hmdb_metabocards_official	NA	NA
+C00408	L-Pipecolate	C6H11NO2	129.079	NA	KEGG	NA	NA
+C03969	1-Aminocyclopentanecarboxylate	C6H11NO2	129.079	NA	KEGG	NA	NA
+C05936	N4-Acetylaminobutanal	C6H11NO2	129.079	NA	KEGG	NA	NA
+C07500	Vigabatrin	C6H11NO2	129.079	NA	KEGG	NA	NA
+C13696	(+)-TACP	C6H11NO2	129.079	NA	KEGG	NA	NA
+C02647	4-Guanidinobutanal	C5H11N3O	129.0902	NA	KEGG	NA	NA
+MJ001188	4-Guanidinobutanal 	C5H11N3O	129.090212	NA	MeJP	NA	NA
+MetaCyc00608	4-guanidinobutyraldehyde [&gamma;-4-guanidinobutyraldehyde;4-guanidinobutanal;]	C5H11N3O1	129.090212	NA	metacyc	NA	NA
+C07151	Metformin	C4H11N5	129.1014	NA	KEGG	NA	NA
+C07152	Transferred to D00382	C4H11N5	129.1014	NA	KEGG	NA	NA
+HMDB01921	1,1-Dimethylbiguanide	C4H11N5	129.10144	NA	HMDB2010	NA	NA
+MJ001189	N,N-Dimethylimidodicarbonimidic diamide 	C4H11N5	129.101445	NA	MeJP	NA	NA
+MJ001190	3-Methyl-1-butylamine; N-Ac 	C7H15NO	129.115364	NA	MeJP	NA	NA
+MetaCyc00609	N-methylhexanamide []	C7H15N1O1	129.115364	NA	metacyc	NA	NA
+C02722	N-Methylhexanamide	C7H15NO	129.1154	NA	KEGG	NA	NA
+MJ001191	6-Methyl-2-heptylamine 	C8H19N	129.151749	NA	MeJP	NA	NA
+C01740	Octylamine	C8H19N	129.1518	NA	KEGG	NA	NA
+3518	ACE inhibitor	VAA	129.571	MH2+	Inhouse_peptide	NA	peptide
+7831	ACE inhibitor	LQ	129.571	MH2+	Inhouse_peptide	NA	peptide
+7693	ACE inhibitor from wakame	KL	129.589	MH2+	Inhouse_peptide	NA	peptide
+8217	Antioxidative peptide	LK	129.589	MH2+	Inhouse_peptide	NA	peptide
+HMDB00705	Hexanoylcarnitine	C13H25NO4	129.5891725	MH2+	Inhouse_peptide	NA	peptide
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	129.5891725	MH2+	Inhouse_peptide	NA	peptide
+C11906	Sodium arsenite	NaAsO2	129.9012	NA	KEGG	NA	NA
+HMDB01854	Tellurium	[Te]4+	129.906219	NA	HMDB2010	NA	NA
+HMDB01854	Tellurium	Te	129.90622	http://www.hmdb.ca/metabolites/HMDB01854	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01854	Tellurium	Te	129.90622	http://www.hmdb.ca/metabolites/HMDB01854	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01854	Tellurium	Te	129.90622	http://www.hmdb.ca/metabolites/HMDB01854	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01854	Tellurium	Te	129.90622	http://www.hmdb.ca/metabolites/HMDB01854	HMDB	NA	NA
+HMDB01854	Tellurium	Te	129.90622	HMDB01854	PFEM_hmdb_metabocards_official	NA	NA
+MJ001192	Trichloroethylene 	C2HCl3	129.914383	NA	MeJP	NA	NA
+MJ001193	Trichloroethene 	C2HCl3	129.914383	NA	MeJP	NA	NA
+MetaCyc00610	trichloroethene [TCE;trichloroethylene;]	C2H1CL3	129.914383	NA	metacyc	NA	NA
+C06790	Trichloroethene	C2HCl3	129.9144	NA	KEGG	NA	NA
+MetaCyc00611	dithiophosphate []	H3O2P1S2	129.931207	NA	metacyc	NA	NA
+C14860	2,2-Dichloro-1,1-ethanediol	C2H4Cl2O2	129.9588	NA	KEGG	NA	NA
+MJ001194	5-Fluoro-2,4(1H,3H)-pyrimidinedione 	C4H3FN2O2	130.017855	NA	MeJP	NA	NA
+C07649	5-FU	C4H3FN2O2	130.0179	NA	KEGG	NA	NA
+MJ001195	5-(Aminomethyl)-3(2H)-isothiazolone 	C4H6N2OS	130.020083	NA	MeJP	NA	NA
+C00433	2,5-Dioxopentanoate	C5H6O4	130.0266	NA	KEGG	NA	NA
+C00434	Double-stranded DNA	C10H17O8PR2	130.0266	NA	KEGG	NA	NA
+C00435	Oxidized rubredoxin	C10H17O8PR2	130.0266	NA	KEGG	NA	NA
+C00490	Itaconate	C5H6O4	130.0266	NA	KEGG	NA	NA
+C01732	Mesaconate	C5H6O4	130.0266	NA	KEGG	NA	NA
+C02132	Acetylpyruvate	C5H6O4	130.0266	NA	KEGG	NA	NA
+C02133	Acyl phosphate	CH2O5PR	130.0266	NA	KEGG	NA	NA
+C02214	(E)-Glutaconate	C5H6O4	130.0266	NA	KEGG	NA	NA
+C02226	2-Methylmaleate	C5H6O4	130.0266	NA	KEGG	NA	NA
+C02800	4,5-Dioxopentanoate	C5H6O4	130.0266	NA	KEGG	NA	NA
+MJ001196	4,5-Dioxopentanoic acid 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001197	Fumaric acid; Mono-Me ester 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001198	Methylenebutanedioic acid 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001199	2,5-Dioxopentanoate 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001200	4,5-Dioxopentanoate 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001201	2-Methylmaleate 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001202	Itaconate 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MJ001203	Mesaconate 	C5H6O4	130.026608	NA	MeJP	NA	NA
+MetaCyc00612	mesaconate [2-methylfumarate;mesaconic acid;(E)-2-methyl-2-butanedionic acid;]	C5H6O4	130.026609	498-24-8	metacyc	NA	NA
+MetaCyc00613	itaconate [propylenedicarboxylic acid;methylenebutanedioic acid;2-propene-1,2-dicarboxylic acid;methylenesuccinic acid;itaconic acid;itaconate;]	C5H6O4	130.026609	97-65-4	metacyc	NA	NA
+MetaCyc00614	glutaconate [(E)-glutaconate;]	C5H6O4	130.026609	NA	metacyc	NA	NA
+MetaCyc00615	diketovalerate [diketovalerate;]	C5H6O4	130.026609	NA	metacyc	NA	NA
+MetaCyc00616	2,5-dioxopentanoate [2-ketoglutarate semialdehyde;2-oxoglutarate semialdehyde;&alpha;-ketoglutarate semialdehyde;]	C5H6O4	130.026609	NA	metacyc	NA	NA
+MetaCyc00617	acetylpyruvate []	C5H6O4	130.026609	NA	metacyc	NA	NA
+MetaCyc00618	4,5-dioxopentanoate [4-ketoglutarate semialdehyde;4-oxoglutarate semialdehyde;]	C5H6O4	130.026609	NA	metacyc	NA	NA
+MetaCyc00619	citraconate [2-methylmaleate;citraconic acid;methylmaleic acid;]	C5H6O4	130.026609	498-23-7	metacyc	NA	NA
+HMDB00620	Glutaconic acid	C5H6O4	130.02661	http://www.hmdb.ca/metabolites/HMDB00620	HMDB	NA	NA
+HMDB00634	Citraconic acid	C5H6O4	130.02661	http://www.hmdb.ca/metabolites/HMDB00634	HMDB	NA	NA
+HMDB00749	Mesaconic acid	C5H6O4	130.02661	http://www.hmdb.ca/metabolites/HMDB00749	HMDB	NA	NA
+HMDB02092	Itaconic acid	C5H6O4	130.02661	http://www.hmdb.ca/metabolites/HMDB02092	HMDB	NA	NA
+HMDB00620	Glutaconic acid	C5H6O4	130.02661	HMDB00620	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00634	Citraconic acid	C5H6O4	130.02661	HMDB00634	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00749	Mesaconic acid	C5H6O4	130.02661	HMDB00749	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02092	Itaconic acid	C5H6O4	130.02661	HMDB02092	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00620	Glutaconic acid	C5H6O4	130.026611	NA	HMDB2010	NA	NA
+HMDB00634	Citraconic acid	C5H6O4	130.026611	NA	HMDB2010	NA	NA
+HMDB00749	Mesaconic acid	C5H6O4	130.026611	NA	HMDB2010	NA	NA
+HMDB02092	Itaconic acid	C5H6O4	130.026611	NA	HMDB2010	NA	NA
+HMDB13233	Gamma-delta-Dioxovaleric acid	C5H6O4	130.026611	NA	HMDB2010	NA	NA
+CJneg0087	Ascorbic acid [(M-H)-(HCOOH)]-	C5H5O4	130.027025	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0087	Ascorbic acid [(M-H)-(HCOOH)]-	C5H5O4	130.027025	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0083	Citric acid [(M-H)-(H2O)-(CO2)]-	C5H5O4	130.027125	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0083	Citric acid [(M-H)-(H2O)-(CO2)]-	C5H5O4	130.027125	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0210	Cinnamoylglycine [(M+H)-(C2H5NO2)]+	C9H7N0O	130.041275	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0210	Cinnamoylglycine [(M+H)-(C2H5NO2)]+	C9H7N0O	130.041275	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001204	2-Nonene-4,6,8-triyn-1-ol 	C9H6O	130.041864	NA	MeJP	NA	NA
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR339	Phenylalanine F3	NA	130.042675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR339	Phenylalanine F3	NA	130.042675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR339	Phenylalanine F3	NA	130.042675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR339	Phenylalanine F3	NA	130.042675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR339	Phenylalanine F3	F3	130.042675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C16483	4-Fluorocyclohexadiene-cis,cis-1,2-diol	C6H7FO2	130.043	NA	KEGG	NA	NA
+C16484	1-Fluorocyclohexadiene-cis,cis-1,2-diol	C6H7FO2	130.043	NA	KEGG	NA	NA
+CJpos0211	Phenylacetylglutamine [(M+H)-(C8H9NO)]+ (13C)	C413CH8NO3	130.045375	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0211	Phenylacetylglutamine [(M+H)-(C8H9NO)]+ (13C)	C413CH8NO3	130.045375	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0084	Oxoproline [(M-H)]- (13C)	C413CH6NO3	130.046525	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0084	Oxoproline [(M-H)]- (13C)	C413CH6NO3	130.046525	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ001205	2-Amino-3-azidopropanoic acid 	C3H6N4O2	130.049075	NA	MeJP	NA	NA
+CJpos0212	(2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+	C6H11O3	130.062475	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0213	(2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+	C6H11O3	130.062475	C18rt(min)=4.75 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0214	Mevalonic acid isomer [(M+H)-(H2O)]+	C6H11O3	130.062475	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0215	4-methyl-2-oxovaleric acid (ketoleucine) [(M+H)]+	C6H11O3	130.062475	C18rt(min)=5.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0212	(2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+	C6H11O3	130.062475	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0213	(2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+	C6H11O3	130.062475	C18rt(min)=4.75 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0214	Mevalonic acid isomer [(M+H)-(H2O)]+	C6H11O3	130.062475	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0215	4-methyl-2-oxovaleric acid (ketoleucine) [(M+H)]+	C6H11O3	130.062475	C18rt(min)=5.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00408	2-Methyl-3-ketovaleric acid	C6H10O3	130.062988	NA	HMDB2010	NA	NA
+HMDB00491	3-Methyl-2-oxovaleric acid	C6H10O3	130.062988	NA	HMDB2010	NA	NA
+HMDB00695	Ketoleucine	C6H10O3	130.062988	NA	HMDB2010	NA	NA
+HMDB01864	2-Ketohexanoic acid	C6H10O3	130.062988	NA	HMDB2010	NA	NA
+HMDB06024	Mevalonolactone	C6H10O3	130.062988	NA	HMDB2010	NA	NA
+HMDB10717	3-Oxohexanoic acid	C6H10O3	130.062988	NA	HMDB2010	NA	NA
+HMDB00491	3-Methyl-2-oxovaleric acid	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00491	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00695	Ketoleucine	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00695	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00408	2-Methyl-3-ketovaleric acid	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00408	HMDB	NA	NA
+HMDB00491	3-Methyl-2-oxovaleric acid	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00491	HMDB	NA	NA
+HMDB00695	Ketoleucine	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00695	HMDB	NA	NA
+HMDB01864	2-Ketohexanoic acid	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB01864	HMDB	NA	NA
+HMDB00491	3-Methyl-2-oxovaleric acid	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00491	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00695	Ketoleucine	C6H10O3	130.06299	http://www.hmdb.ca/metabolites/HMDB00695	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00408	2-Methyl-3-ketovaleric acid	C6H10O3	130.06299	HMDB00408	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00491	3-Methyl-2-oxovaleric acid	C6H10O3	130.06299	HMDB00491	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00695	Ketoleucine	C6H10O3	130.06299	HMDB00695	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01864	2-Ketohexanoic acid	C6H10O3	130.06299	HMDB01864	PFEM_hmdb_metabocards_official	NA	NA
+MJ001206	2-Oxohexanoic acid 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001207	3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001208	3-Methyl-4-oxopentanoic acid 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001209	4-Hydroxy-4-methyl-2-pentenoic acid 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001210	4-Methyl-2-oxopentanoic acid 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001211	5-(1-Hydroxyethyl)-2(5H)-furanone, 3,4-Dihydro 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001212	5-Ethoxy-4,5-dihydro-2(3H)furanone 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001213	5-Hydroxy-3-methyl-2-pentenoic acid 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001214	5-Hydroxy-4-oxohexanal 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001215	Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001216	(R)-2-Oxo-3-methylpentanoate 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001217	3-Methyl-2-oxopentanoate 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001218	4-Methyl-2-oxopentanoate 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MJ001219	Adipate semialdehyde 	C6H10O3	130.062994	NA	MeJP	NA	NA
+MetaCyc00620	pantoyl lactone [(R)-pantolactone;(R)-Pantoyl lactone;(3R)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone;]	C6H10O3	130.062994	599-04-2	metacyc	NA	NA
+MetaCyc00621	ethyl-acetoacetate [3-oxobutanoic acid ethyl ester;acetoacetic acid, ethyl ester;active acetyl acetate;diacetic ether;butanoic acid, 3-oxo-ethyl ester;ethyl 3-oxobutanoate;ethyl 3-oxobutyrate;ethyl acetoacetate;ethyl acetylacetate;ethyl acetylacetonate;ethyl &beta;-ketobutyrate;]	C6H10O3	130.062994	NA	metacyc	NA	NA
+MetaCyc00622	&beta;-ketoisocaproate []	C6H10O3	130.062994	NA	metacyc	NA	NA
+MetaCyc00623	6-oxohexanoate [6-ketohexanoate;6-oxohexanoic acid;6-ketohexanoic acid;]	C6H10O3	130.062994	NA	metacyc	NA	NA
+MetaCyc00624	6-hydroxyhexan-6-olide [7-hydroxyoxepan-2-one;]	C6H10O3	130.062994	NA	metacyc	NA	NA
+MetaCyc00625	5-oxohexanoate []	C6H10O3	130.062994	06/01/3128	metacyc	NA	NA
+MetaCyc00626	2-ketoisocaproate [2-keto-4-methyl-pentanoate;2-oxoisocaproate;4-methyl-2-oxopentanoate;2-oxo-4-methylpentanoate;&alpha;-ketoisocaproate;&alpha;-oxoisocaproate;]	C6H10O3	130.062994	816-66-0	metacyc	NA	NA
+MetaCyc00627	2-oxohexanoate []	C6H10O3	130.062994	NA	metacyc	NA	NA
+MetaCyc00628	2-keto-3-methyl-valerate [(3S)-3-Methyl-2-oxopentanoate;&alpha;-keto-methylvalerate;2-oxo-3-methylvalerate;(S)-2-oxo-3-methylpentanoate;(S)-3-methyl-2-oxopentanoate;2-oxo-3-methylpentanoate;3-methyl-2-oxopentanoate;&alpha;-keto-&beta;-methyl-valerate;]	C6H10O3	130.062994	1460-34-0	metacyc	NA	NA
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR608	Mevalonolactone 	NA	130.062995	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR608	Mevalonolactone 	NA	130.062995	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR608	±Mevalonolactone 	[M+H]+	130.063	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR608	±Mevalonolactone 	[M+H]+	130.063	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR608	±Mevalonolactone 	[M+H]+	130.063	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+7826	ACE inhibitor	EI	130.063	MH2+	Inhouse_peptide	NA	peptide
+7827	ACE inhibitor	IE	130.063	MH2+	Inhouse_peptide	NA	peptide
+7888	antioxidative peptide	EL	130.063	MH2+	Inhouse_peptide	NA	peptide
+EUR608	±Mevalonolactone 	[M+H]+	130.063	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00233	4-Methyl-2-oxopentanoate	C6H10O3	130.063	NA	KEGG	NA	NA
+C00671	(S)-3-Methyl-2-oxopentanoic acid	C6H10O3	130.063	NA	KEGG	NA	NA
+C00902	2-Oxohexanoic acid	C6H10O3	130.063	NA	KEGG	NA	NA
+C01012	(R)-Pantolactone	C6H10O3	130.063	NA	KEGG	NA	NA
+C02122	3-Oxohexanoic acid	C6H10O3	130.063	NA	KEGG	NA	NA
+C02129	5-Oxohexanoic acid	C6H10O3	130.063	NA	KEGG	NA	NA
+C03241	6-Hydroxyhexan-6-olide	C6H10O3	130.063	NA	KEGG	NA	NA
+C03465	3-Methyl-2-oxopentanoate	C6H10O3	130.063	NA	KEGG	NA	NA
+C03467	beta-Ketoisocaproate	C6H10O3	130.063	NA	KEGG	NA	NA
+C03500	Ethyl 3-oxobutanoate	C6H10O3	130.063	NA	KEGG	NA	NA
+C03501	Fc fragment of human IgA	C6H10O3	130.063	NA	KEGG	NA	NA
+C06008	(3R)-3-Methyl-2-oxopentanoic acid	C6H10O3	130.063	NA	KEGG	NA	NA
+C06102	Adipate semialdehyde	C6H10O3	130.063	NA	KEGG	NA	NA
+C12314	1-Oxa-2-oxo-3-hydroxycycloheptane	C6H10O3	130.063	NA	KEGG	NA	NA
+C14530	2-Hydroxyethyl methacrylate	C6H10O3	130.063	NA	KEGG	NA	NA
+CJneg0085	3-methyl-2-oxovaleric acid [(M-H)]-	C6H9O3	130.063525	C18rt(min)=5.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0086	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)]-	C6H9O3	130.063525	C18rt(min)=5.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0085	3-methyl-2-oxovaleric acid [(M-H)]-	C6H9O3	130.063525	C18rt(min)=5.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0086	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)]-	C6H9O3	130.063525	C18rt(min)=5.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	HMDB	NA	NA
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	Inhouse_PFEM	NA	NA
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis010	Mevalonolactone	HMDB06024_RT4.11_add113	130.0636	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+7698	ACE inhibitor from wakame	NK	130.06845	MH2+	Inhouse_peptide	NA	peptide
+C01483	Casein K	C5H10N2O2	130.0742	NA	KEGG	NA	NA
+C10140	Cucurbitine	C5H10N2O2	130.0742	NA	KEGG	NA	NA
+MJ001220	1-Amino-2-pyrrolidinecarboxylic acid 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+MJ001221	3-Amino-2-piperidinone, N-Hydroxy 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+MJ001222	3-Amino-2-pyrrolidinecarboxylic acid 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+MJ001223	3-Amino-3-pyrrolidinecarboxylic acid 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+MJ001224	3-Amino-4-methyl-2-pyrrolidinone, N-Hydroxy 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+MJ001225	4-Amino-2-pyrrolidinecarboxylic acid 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+MJ001226	Hexahydro-3-pyridazinecarboxylic acid 	C5H10N2O2	130.074227	NA	MeJP	NA	NA
+CJpos0216	Pipecolic acid [(M+H)]+ (13C)	C513CH12NO2	130.081775	C18rt(min)=1.06 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0216	Pipecolic acid [(M+H)]+ (13C)	C513CH12NO2	130.081775	C18rt(min)=1.06 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH061	Phenylalanine [M+H-H2O-NH2]+	NA	130.0846	1.66	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH061	Phenylalanine [M+H-H2O-NH2]+	NA	130.0846	1.66	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH061	Phenylalanine [M+H-H2O-NH2]+	NA	130.0846	1.66	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH061	Phenylalanine [M+H-H2O-NH2]+	NA	130.0846	1.66	Inhousejuil11	NA	NA
+MetaCyc00629	vigabatrin []	C6H12N1O2	130.086804	NA	metacyc	NA	NA
+MJ001227	1-Hexanol; Formyl 	C7H14O2	130.099379	NA	MeJP	NA	NA
+MJ001228	3-Methyl-1-butanol; Ac 	C7H14O2	130.099379	NA	MeJP	NA	NA
+MJ001229	4-Methylpentanoic acid; Me ester 	C7H14O2	130.099379	NA	MeJP	NA	NA
+MJ001230	Heptanoic acid 	C7H14O2	130.099379	NA	MeJP	NA	NA
+MJ001231	Hexanoic acid; Me ester 	C7H14O2	130.099379	NA	MeJP	NA	NA
+MJ001232	Pentanoic acid; Et ester 	C7H14O2	130.099379	NA	MeJP	NA	NA
+HMDB00666	Heptanoic acid	C7H14O2	130.09938	http://www.hmdb.ca/metabolites/HMDB00666	HMDB	NA	NA
+MetaCyc00630	heptanoate [heptanoic acid;enanthic acid;oenanthylic acid;]	C7H14O2	130.09938	NA	metacyc	NA	NA
+HMDB00666	Heptanoic acid	C7H14O2	130.09938	HMDB00666	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00666	Heptanoic acid	C7H14O2	130.09938	NA	HMDB2010	NA	NA
+C12290	Ethyl isovalerate	C7H14O2	130.0994	NA	KEGG	NA	NA
+C12291	Transferred to D01086	C7H14O2	130.0994	NA	KEGG	NA	NA
+C12296	Isoamyl  acetate	C7H14O2	130.0994	NA	KEGG	NA	NA
+C17714	Heptanoic acid	C7H14O2	130.0994	NA	KEGG	NA	NA
+CJpos0217	N-Acetylputrescine (and isomer) [(M+H)]+	C6H15N2O	130.110075	C18rt(min)=1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0217	N-Acetylputrescine (and isomer) [(M+H)]+	C6H15N2O	130.110075	C18rt(min)=1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02714	N-Acetylputrescine	C6H14N2O	130.1106	NA	KEGG	NA	NA
+C02715	N-Acyl-L-aspartate	C5H6NO5R	130.1106	NA	KEGG	NA	NA
+C02716	N-Acyl-L-glutamine	C6H9N2O4R	130.1106	NA	KEGG	NA	NA
+HMDB02064	N-Acetylputrescine	C6H14N2O	130.11061	http://www.hmdb.ca/metabolites/HMDB02064	HMDB	NA	NA
+HMDB02064	N-Acetylputrescine	C6H14N2O	130.11061	HMDB02064	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02064	N-Acetylputrescine	C6H14N2O	130.110611	NA	HMDB2010	NA	NA
+MJ001233	Leucine, Amide 	C6H14N2O	130.110613	NA	MeJP	NA	NA
+MJ001234	N-Acetylputrescine 	C6H14N2O	130.110613	NA	MeJP	NA	NA
+MetaCyc00631	N-acetylputrescine [monoacetylputrescine;]	C6H14N2O1	130.110613	18233-70-0	metacyc	NA	NA
+C00179	Agmatine	C5H14N4	130.1218	NA	KEGG	NA	NA
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	PFEM_hmdb_metabocards_urine	NA	urine
+LABER087	Agmatine	NA	130.121841	RT 1.62	PFEM_hmdb_metabocards_urine	NA	urine
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER087	Agmatine	NA	130.121841	RT 1.62	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER087	Agmatine	NA	130.121841	RT 1.62	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER087	Agmatine	NA	130.121841	RT 1.62	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	HMDB	NA	NA
+LABER087	Agmatine	NA	130.121841	RT 1.62	HMDB	NA	NA
+HMDB01432	Agmatine	C5H14N4	130.121841	NA	HMDB2010	NA	NA
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	Inhouse_PFEM	NA	NA
+LABER087	Agmatine	NA	130.121841	RT 1.62	Inhouse_PFEM	NA	NA
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	Inhousejuil11	NA	NA
+LABER087	Agmatine	NA	130.121841	RT 1.62	Inhousejuil11	NA	NA
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	PFEM_hmdb_metabocards_blood	NA	blood
+LABER087	Agmatine	NA	130.121841	RT 1.62	PFEM_hmdb_metabocards_blood	NA	blood
+LABER074	Agmatine	NA	130.121841	131, 72, 60, 97, 114	PFEM_hmdb_metabocards_official	NA	NA
+LABER087	Agmatine	NA	130.121841	RT 1.62	PFEM_hmdb_metabocards_official	NA	NA
+MJ001235	(4-Aminobutyl)guanidine 	C5H14N4	130.121846	NA	MeJP	NA	NA
+MJ001236	Agmatine 	C5H14N4	130.121846	NA	MeJP	NA	NA
+MetaCyc00632	agmatine []	C5H14N4	130.121846	306-60-5	metacyc	NA	NA
+HMDB01432	Agmatine	C5H14N4	130.12186	http://www.hmdb.ca/metabolites/HMDB01432	HMDB	NA	NA
+HMDB01432	Agmatine	C5H14N4	130.12186	HMDB01432	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01345	4-Trimethylammoniobutanal	C7H16NO	130.12318	http://www.hmdb.ca/metabolites/HMDB01345	HMDB	NA	NA
+HMDB01345	4-Trimethylammoniobutanal	C7H16NO	130.12318	HMDB01345	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01345	4-Trimethylammoniobutanal	C7H16NO	130.123184	NA	HMDB2010	NA	NA
+MJ001237	4-Trimethylammoniobutanal 	C7H16NO	130.123189	NA	MeJP	NA	NA
+MetaCyc00633	4-trimethylammoniobutanal [trimethyl-(4-oxobutyl)ammonium;]	C7H16N1O1	130.123189	NA	metacyc	NA	NA
+C01149	4-Trimethylammoniobutanal	C7H16NO	130.1232	NA	KEGG	NA	NA
+C01150	5'-Phosphomononucleotides	C5H10O7PR	130.1232	NA	KEGG	NA	NA
+HMDB01183	Octanol	C8H18O	130.135757	NA	HMDB2010	NA	NA
+MJ001238	1-Octanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001239	2-Ethyl-1-hexanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001240	2-Methyl-4-heptanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001241	2-Octanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001242	3-Ethyl-4-methyl-1-pentanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001243	3-Octanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001244	4-Methyl-3-heptanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MJ001245	5-Methyl-3-heptanol 	C8H18O	130.135765	NA	MeJP	NA	NA
+MetaCyc00634	octanol [1-octanol;caprylic alcohol;N-octanol;octanol;octyl-alcohol;N-octyl-alcohol;]	C8H18O1	130.135765	111-87-5	metacyc	NA	NA
+MetaCyc00635	2-ethylhexan-1-ol []	C8H18O1	130.135765	104-76-7	metacyc	NA	NA
+HMDB01183	Octanol	C8H18O	130.13577	http://www.hmdb.ca/metabolites/HMDB01183	HMDB	NA	NA
+HMDB01183	Octanol	C8H18O	130.13577	HMDB01183	PFEM_hmdb_metabocards_official	NA	NA
+C00756	1-Octanol	C8H18O	130.1358	NA	KEGG	NA	NA
+C02498	2-Ethylhexan-1-ol	C8H18O	130.1358	NA	KEGG	NA	NA
+C17144	3-Octanol	C8H18O	130.1358	NA	KEGG	NA	NA
+C07512	Tetraethylammonium	C8H20N	130.1596	NA	KEGG	NA	NA
+8114	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GGE	130.542	MH2+	Inhouse_peptide	NA	peptide
+7579	ACE inhibitor	GW	130.55	MH2+	Inhouse_peptide	NA	peptide
+7613	ACE inhibitor	WG	130.55	MH2+	Inhouse_peptide	NA	peptide
+8134	peptide derived from dried bonito	KD	130.56045	MH2+	Inhouse_peptide	NA	peptide
+MJ001246	N-Chlorosulfamic acid 	ClH2NO3S	130.944391	NA	MeJP	NA	NA
+MJ001247	Trifluoroferrate(II)(1-); NH4 salt 	F3FeH4N	130.964525	NA	MeJP	NA	NA
+HMDB01131	Iminoaspartic acid	C4H5NO4	131.021851	NA	HMDB2010	NA	NA
+MJ001248	2,3-Aziridinedicarboxylic acid 	C4H5NO4	131.021857	NA	MeJP	NA	NA
+MJ001249	2-Oxosuccinamate 	C4H5NO4	131.021857	NA	MeJP	NA	NA
+MJ001250	Iminoaspartate 	C4H5NO4	131.021857	NA	MeJP	NA	NA
+MetaCyc00636	L-keto-succinamate [ketosuccinamate;L-oxosuccinamate;]	C4H5N1O4	131.021858	NA	metacyc	NA	NA
+MetaCyc00637	iminoaspartate [&alpha;-iminosuccinate;]	C4H5N1O4	131.021858	NA	metacyc	NA	NA
+MetaCyc00638	2-oxosuccinamate [&alpha;-ketosuccinamate;]	C4H5N1O4	131.021858	NA	metacyc	NA	NA
+HMDB01131	Iminoaspartic acid	C4H5NO4	131.02187	http://www.hmdb.ca/metabolites/HMDB01131	HMDB	NA	NA
+HMDB01131	Iminoaspartic acid	C4H5NO4	131.02187	HMDB01131	PFEM_hmdb_metabocards_official	NA	NA
+C02362	2-Oxosuccinamate	C4H5NO4	131.0219	NA	KEGG	NA	NA
+C05840	Iminoaspartate	C4H5NO4	131.0219	NA	KEGG	NA	NA
+MJ001251	2-Oxo-2-phenylacetic acid; Nitrile 	C8H5NO	131.037113	NA	MeJP	NA	NA
+MJ001252	3H-Indol-3-one 	C8H5NO	131.037113	NA	MeJP	NA	NA
+MJ001253	4-Ethyl-2-oxazolidinethione 	C5H9NOS	131.040484	NA	MeJP	NA	NA
+MJ001254	5,5-Dimethyl-2-oxazolidinethione 	C5H9NOS	131.040484	NA	MeJP	NA	NA
+CJpos0218	Cinnamoylglycine [(M+H)-(C2H5NO2)]+ (13C)	C813CH7N0O	131.044675	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0218	Cinnamoylglycine [(M+H)-(C2H5NO2)]+ (13C)	C813CH7N0O	131.044675	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PFEM047F1	Hydroxyproline	F1	131.0512	NA	Inhouse_original	NA	NA
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR216	Hydroxyproline F1	NA	131.056175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR216	Hydroxyproline F1	NA	131.056175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR216	Hydroxyproline F1	NA	131.056175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR216	Hydroxyproline F1	NA	131.056175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR216	Hydroxyproline F1	C5H9NO4	131.056175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0219	N-Acetylalanine [(M+H)]+	C5H10NO3	131.057675	C18rt(min)=1.8 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0220	Hydroxyproline [(M+H)]+	C5H10NO3	131.057675	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0221	Hydroxyproline isomers [(M+H)]+	C5H10NO3	131.057675	C18rt(min)=1.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0222	N-Acetylaspartic acid [(M+H)-(CO2)]+	C5H10NO3	131.057675	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0219	N-Acetylalanine [(M+H)]+	C5H10NO3	131.057675	C18rt(min)=1.8 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0220	Hydroxyproline [(M+H)]+	C5H10NO3	131.057675	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0221	Hydroxyproline isomers [(M+H)]+	C5H10NO3	131.057675	C18rt(min)=1.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0222	N-Acetylaspartic acid [(M+H)-(CO2)]+	C5H10NO3	131.057675	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR023	glutamic semialdehyde	C5H9NO3	131.0582	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR027	Hydroxyproline	C5H9NO3	131.0582	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR023	glutamic semialdehyde	C5H9NO3	131.0582	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR027	Hydroxyproline	C5H9NO3	131.0582	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR023	glutamic semialdehyde	C5H9NO3	131.0582	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR027	Hydroxyproline	C5H9NO3	131.0582	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR023	glutamic semialdehyde	C5H9NO3	131.0582	Wishlist	Inhousejuil11	NA	NA
+EUR027	Hydroxyproline	C5H9NO3	131.0582	Wishlist	Inhousejuil11	NA	NA
+C00430	5-Aminolevulinate	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01015	4-Hydroxy-L-proline	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01016	5'-Phosphomonoester	C5H10O7PR	131.0582	NA	KEGG	NA	NA
+C01073	N-Acetyl-beta-alanine	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01074	N-Acetylgalactosamine	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01110	5-Amino-2-oxopentanoic acid	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01157	trans-4-Hydroxy-L-proline	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01165	L-Glutamate 5-semialdehyde	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01166	Oxidized polyvinyl alcohol	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C01167	Protein tyrosine phosphate	C10H11N2O6PR2	131.0582	NA	KEGG	NA	NA
+C03341	2-Amino-4-oxopentanoic acid	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C03440	cis-4-Hydroxy-D-proline	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C03441	cis-4-Hydroxy-L-proline	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C03651	trans-4-Hydroxy-D-proline	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C03741	(S)-4-Amino-5-oxopentanoate	C5H9NO3	131.0582	NA	KEGG	NA	NA
+C05147	trans-L-3-Hydroxyproline	C5H9NO3	131.0582	NA	KEGG	NA	NA
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00725	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB01149	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00725	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB01149	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00725	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB01149	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00725	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB01149	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00725	HMDB	NA	NA
+HMDB00766	N-Acetyl-L-alanine	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00766	HMDB	NA	NA
+HMDB00783	Propionylglycine	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00783	HMDB	NA	NA
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB01149	HMDB	NA	NA
+HMDB02104	l-Glutamic-gamma-semialdehyde	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB02104	HMDB	NA	NA
+HMDB02113	3-Hydroxy-L-proline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB02113	HMDB	NA	NA
+HMDB06272	5-Amino-2-oxopentanoate	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB06272	HMDB	NA	NA
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	NA  ;SYN:N-epsilon-methyllysine; N(6)-Methyllysine; N(6)-methyl-L-lysine; Epsilon-n-methyllysine; (2S)-2-amino-6-(methylamino)hexanoic acid; N-methyl-lysine; N6-Methyl-L-lysine; (S)-2-amino-6-methylaminohexanoic acid; N(zeta)-methyllysine; Epsilon-methyllysine; (2S)-2-amino-6-(methylamino)hexanoate; (S)-2-amino-6-methylaminohexanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	NA  ;SYN:Arginic acid; Argininic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB06055	4-Hydroxy-L-proline	C5H9NO3	131.05824	Long chain acyl carnitines  ;SYN:(2E)-Hexadecenoyl-carnitine; trans-2-Hexadecenoyl-carnitineH2Blood	Inhouse_peptide	NA	peptide
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB00725	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	http://www.hmdb.ca/metabolites/HMDB01149	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00725	Hydroxyproline	C5H9NO3	131.05824	HMDB00725	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00766	N-Acetyl-L-alanine	C5H9NO3	131.05824	HMDB00766	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00783	Propionylglycine	C5H9NO3	131.05824	HMDB00783	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.05824	HMDB01149	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02104	l-Glutamic-gamma-semialdehyde	C5H9NO3	131.05824	HMDB02104	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02113	3-Hydroxy-L-proline	C5H9NO3	131.05824	HMDB02113	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06272	5-Amino-2-oxopentanoate	C5H9NO3	131.05824	HMDB06272	PFEM_hmdb_metabocards_official	NA	NA
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	PFEM_hmdb_metabocards_urine	NA	urine
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	HMDB	NA	NA
+HMDB00725	Hydroxyproline	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB00766	N-Acetyl-L-alanine	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB00783	Propionylglycine	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB01149	5-Aminolevulinic acid	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB02104	L-Glutamic-gamma-semialdehyde	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB02113	3-Hydroxy-L-proline	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB06055	4-Hydroxy-L-proline	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+HMDB06272	5-Amino-2-oxopentanoic acid	C5H9NO3	131.058243	NA	HMDB2010	NA	NA
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	Inhouse_PFEM	NA	NA
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	Inhousejuil11	NA	NA
+MJ001255	2-Amino-4-methoxy-3-butenoic acid 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001256	3,4-Dihydro-3,4-dihydroxy-2-(hydroxymethyl)-2H-pyrrole 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001257	3-Hydroxy-2-pyrrolidinecarboxylic acid 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001258	4-Amino-5-oxopentanoic acid 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001259	4-Hydroxy-2-pyrrolidinecarboxylic acid 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001260	5-Amino-4-oxopentanoic acid 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001261	5-Aminotetrahydro-6-hydroxy-2H-pyran-2-one 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001262	?-Amino-1-hydroxycyclopropaneacetic acid 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001263	(S)-4-Amino-5-oxopentanoate 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001264	2-Amino-4-oxopentanoate 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001265	2-Oxo-5-aminovalerate 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001266	5-Amino-2-oxopentanoate 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001267	5-Aminolevulinate 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001268	L-Glutamate 5-semialdehyde 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001269	N-Acetyl-beta-alanine 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001270	cis-4-Hydroxy-D-proline 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MJ001271	trans-4-Hydroxy-L-proline 	C5H9NO3	131.058243	NA	MeJP	NA	NA
+MetaCyc00639	glutamate-1-semialdehyde [(S)-4-amino-5-oxopentanoate;L-Glutamate 1-semialdehyde;]	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00640	trans-L-3-hydroxyproline []	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00641	N-Acetyl-&beta;-alanine []	C5H9N1O3	131.058243	3025-95-4	metacyc	NA	NA
+MetaCyc00642	2-amino-4-oxopentanoate []	C5H9N1O3	131.058243	4439-83-2	metacyc	NA	NA
+MetaCyc00643	cis-4-hydroxy-D-proline []	C5H9N1O3	131.058243	2584-71-6	metacyc	NA	NA
+MetaCyc00644	5-amino-levulinate [5-Amino-4-oxopentanoate;5-amino-4-oxo-pentanoic acid;5-amino-levulinic acid;5-amino-4-oxopentanoic acid;&gamma;-aminolevulinic acid;5-aminolevulinic acid;5-aminolevulinate;ALA;&delta;-aminolevulinic acid;]	C5H9N1O3	131.058243	106-60-5	metacyc	NA	NA
+MetaCyc00645	2-keto-ornithine [5-amino-2-oxo-pentanoic acid;&alpha;-keto-&delta;-aminovaleric acid;5-amino-2-oxo-pentanoate;2-keto-5-aminovalerate;&alpha;-keto-&delta;-aminovalerate;]	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00646	4-hydroxy-L-proline [trans-4-hydroxy-L-proline;]	C5H9N1O3	131.058243	51-35-4	metacyc	NA	NA
+MetaCyc00647	3-hydroxy-L-proline []	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00648	2-keto-5-aminovalerate [2-oxo-5-aminovalerate;]	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00649	2-amino-4-oxo-pentoate [2-NH2,4k-pentoate;]	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00650	L-glutamate &gamma;-semialdehyde [glutamic &gamma;-semialdehyde;L-glutamate-5-semialdehyde;glutamate-semialdehyde;]	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+MetaCyc00651	L-4-hydroxy-proline [hydroxy-L-proline;L-4-hydroxyproline;oxyproline;4-hydroxyproline;cis-4-hydroxyproline;OH-pro;hydroxyproline;]	C5H9N1O3	131.058243	51-35-4	metacyc	NA	NA
+MetaCyc00652	allo-4-hydroxy-D-proline []	C5H9N1O3	131.058243	NA	metacyc	NA	NA
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	PFEM_hmdb_metabocards_blood	NA	blood
+LABER063	cis-OHproline	NA	131.058243	RT 2.01 fragt 86.06	PFEM_hmdb_metabocards_official	NA	NA
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	HMDB	NA	NA
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	Inhouse_PFEM	NA	NA
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR023	glutamic semialdehyde	C5H9NO3	131.058244	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0088	Hydroxyproline [(M-H)]-	C5H8NO3	131.058825	C18rt(min)=0.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0089	Hydroxyproline isomers [(M-H)]-	C5H8NO3	131.058825	C18rt(min)=1.6 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0090	N-Acetylaspartic acid [(M-H)-(CO2)]-	C5H8NO3	131.058825	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0088	Hydroxyproline [(M-H)]-	C5H8NO3	131.058825	C18rt(min)=0.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0089	Hydroxyproline isomers [(M-H)]-	C5H8NO3	131.058825	C18rt(min)=1.6 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0090	N-Acetylaspartic acid [(M-H)-(CO2)]-	C5H8NO3	131.058825	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3178	dipeptidyl-aminopeptidase IV inhibitor	FP	131.06	MH2+	Inhouse_peptide	NA	peptide
+3502	ACE inhibitor (BSA fr, 221-222)	FP	131.06	MH2+	Inhouse_peptide	NA	peptide
+CJpos0223	(2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ (13C)	C513CH11O3	131.065775	C18rt(min)=4.75 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0224	Mevalonic acid isomer [(M+H)-(H2O)]+ (13C)	C5[13]CH11O3	131.065775	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0223	(2-methoxyethoxy)propanoic acid [(M+H)-(H2O)]+ (13C)	C513CH11O3	131.065775	C18rt(min)=4.75 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0224	Mevalonic acid isomer [(M+H)-(H2O)]+ (13C)	C5[13]CH11O3	131.065775	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0091	3-methyl-2-oxovaleric acid [(M-H)]- (13C)	C513CH9O3	131.066925	C18rt(min)=5.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0091	3-methyl-2-oxovaleric acid [(M-H)]- (13C)	C513CH9O3	131.066925	C18rt(min)=5.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	PFEM_hmdb_metabocards_urine	NA	urine
+JH022	Creatine [M+H]+	C4H9N3O2	131.0684	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH022	Creatine [M+H]+	C4H9N3O2	131.0684	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH022	Creatine [M+H]+	C4H9N3O2	131.0684	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	HMDB	NA	NA
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	Inhouse_PFEM	NA	NA
+JH022	Creatine [M+H]+	C4H9N3O2	131.0684	1.23	Inhousejuil11	NA	NA
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	PFEM_hmdb_metabocards_blood	NA	blood
+JH022	Creatine 	C4H9N3O2	131.0684	Rtobs1.23	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0225	Creatine [(M+H)]+	C4H10N3O2	131.068975	C18rt(min)=0.93 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0225	Creatine [(M+H)]+	C4H10N3O2	131.068975	C18rt(min)=0.93 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR554	Creatine	[M-H]+	131.069175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR554	Creatine	[M-H]+	131.069175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR554	Creatine	[M-H]+	131.069175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR554	Creatine	[M-H]+	131.069175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+HMDB00064	Creatine	C4H9N3O2	131.06947	http://www.hmdb.ca/metabolites/HMDB00064	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00064	Creatine	C4H9N3O2	131.06947	http://www.hmdb.ca/metabolites/HMDB00064	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00064	Creatine	C4H9N3O2	131.06947	http://www.hmdb.ca/metabolites/HMDB00064	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00064	Creatine	C4H9N3O2	131.06947	http://www.hmdb.ca/metabolites/HMDB00064	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00064	Creatine	C4H9N3O2	131.06947	http://www.hmdb.ca/metabolites/HMDB00064	HMDB	NA	NA
+HMDB00064	Creatine	C4H9N3O2	131.06947	Long chain acyl carnitines  ;SYN:(-)-Stearoylcarnitine; (R)-3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-1-Propanaminium inner salt; (R)-Stearoylcarnitine; L-(3-carboxy-2-hydroxypropyl)trimethyl-Ammonium stearate hydroxide inner salt; L-Stearic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; L-Stearoylcarnitine; Stearoyl-L-carnitine; Stearoylcarnitine;acylcarnitine C18:0;Octadecanoylcarnitine; Octadecanoyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00064	Creatine	C4H9N3O2	131.06947	http://www.hmdb.ca/metabolites/HMDB00064	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00064	Creatine	C4H9N3O2	131.06947	HMDB00064	PFEM_hmdb_metabocards_official	NA	NA
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	HMDB	NA	NA
+HMDB00064	Creatine	C4H9N3O2	131.069473	NA	HMDB2010	NA	NA
+HMDB13222	beta-Guanidinopropionic acid	C4H9N3O2	131.069473	NA	HMDB2010	NA	NA
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	Inhouse_PFEM	NA	NA
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	Inhousejuil11	NA	NA
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER025	Creatine	C4H9N3O2	131.069473	RT 2.30; 2.40 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MJ001272	Creatine 	C4H9N3O2	131.069476	NA	MeJP	NA	NA
+MJ001273	3-Guanidinopropanoic acid 	C4H9N3O2	131.069476	NA	MeJP	NA	NA
+MJ001274	Creatine 	C4H9N3O2	131.069476	NA	MeJP	NA	NA
+MetaCyc00653	creatine [methylguanidinoacetic acid;N-amidinosarcosine;methylglycocyamine;N-methyl-N-guanylglycine;]	C4H9N3O2	131.069477	57-00-1	metacyc	NA	NA
+MetaCyc00654	3-guanidinopropanoate [3-guanidinopropionate;]	C4H9N3O2	131.069477	NA	metacyc	NA	NA
+C00300	Creatine	C4H9N3O2	131.0695	NA	KEGG	NA	NA
+C03065	3-Guanidinopropanoate	C4H9N3O2	131.0695	NA	KEGG	NA	NA
+CJneg0092	Creatine [(M-H)]-	C4H8N3O2	131.070025	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0092	Creatine [(M-H)]-	C4H8N3O2	131.070025	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ001275	3-Methyl-1H-indole 	C9H9N	131.073499	NA	MeJP	NA	NA
+MJ001276	3-Phenylpropanoic acid; Nitrile 	C9H9N	131.073499	NA	MeJP	NA	NA
+MetaCyc00655	6-methyl indole []	C9H9N1	131.073499	NA	metacyc	NA	NA
+HMDB00466	3-Methylindole	C9H9N	131.0735	http://www.hmdb.ca/metabolites/HMDB00466	HMDB	NA	NA
+C02596	Tolylacetonitrile	C9H9N	131.0735	NA	KEGG	NA	NA
+C02597	Tripsin inhibitor	C9H9N	131.0735	NA	KEGG	NA	NA
+C02601	[Pyruvate kinase]	C4H6N2O3R2	131.0735	NA	KEGG	NA	NA
+C02603	alpha-D-Mannoside	C6H11O6R	131.0735	NA	KEGG	NA	NA
+C08313	Skatole	C9H9N	131.0735	NA	KEGG	NA	NA
+HMDB00466	3-Methylindole	C9H9N	131.0735	HMDB00466	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00466	3-Methylindole	C9H9N	131.073502	NA	HMDB2010	NA	NA
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR322	Isoleucine F1	NA	131.091275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR322	Isoleucine F1	NA	131.091275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR322	Isoleucine F1	NA	131.091275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR322	Isoleucine F1	NA	131.091275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR322	Isoleucine F1	F1	131.091275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PFEM051F1	L-Isoleucine	F1	131.092	NA	Inhouse_original	NA	NA
+JH025	Isoleucine (L-) [M+H]+	C6H13NO2	131.0924	1.61	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH025	Isoleucine (L-) [M+H]+	C6H13NO2	131.0924	1.61	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH025	Isoleucine (L-) [M+H]+	C6H13NO2	131.0924	1.61	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH025	Isoleucine (L-) [M+H]+	C6H13NO2	131.0924	1.61	Inhousejuil11	NA	NA
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR324	Leucine F1	NA	131.092675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR324	Leucine F1	NA	131.092675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH026	Leucine (DL) [M+H]+	C6H13NO2	131.093	1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH026	Leucine (DL) [M+H]+	C6H13NO2	131.093	1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH026	Leucine (DL) [M+H]+	C6H13NO2	131.093	1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH026	Leucine (DL) [M+H]+	C6H13NO2	131.093	1.64	Inhousejuil11	NA	NA
+CJpos0226	Norleucine [(M+H)]+	C6H14NO2	131.094075	C18rt(min)=2.48 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0227	6-Aminocaproic acid [(M+H)]+	C6H14NO2	131.094075	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0228	Leucine (and isomers) [M+H]+	C6H14O2N	131.094075	C18rt(min)=1.08 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0226	Norleucine [(M+H)]+	C6H14NO2	131.094075	C18rt(min)=2.48 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0227	6-Aminocaproic acid [(M+H)]+	C6H14NO2	131.094075	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0228	Leucine (and isomers) [M+H]+	C6H14O2N	131.094075	C18rt(min)=1.08 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR557	Leucine/isoleucine	[M+H]+	131.094175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR557	Leucine/isoleucine	[M+H]+	131.094175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR557	Leucine/isoleucine	[M+H]+	131.094175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR557	Leucine/isoleucine	NA	131.094175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR557	Leucine/isoleucine	[M+H]+	131.094175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR557	Leucine/isoleucine	NA	131.094175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	PFEM_hmdb_metabocards_urine	NA	urine
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	PFEM_hmdb_metabocards_urine	NA	urine
+EUR029	L-Isoleucine	C6H13NO2	131.0946	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR030	L-Leucine	C6H13NO2	131.0946	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR609	Isoleucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR610	Leucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR029	L-Isoleucine	C6H13NO2	131.0946	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR030	L-Leucine	C6H13NO2	131.0946	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR609	Isoleucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR610	Leucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR029	L-Isoleucine	C6H13NO2	131.0946	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR030	L-Leucine	C6H13NO2	131.0946	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR609	Isoleucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR610	Leucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	HMDB	NA	NA
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	HMDB	NA	NA
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	Inhouse_PFEM	NA	NA
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	Inhouse_PFEM	NA	NA
+LABER002	Leucine	C6H13NO2	131.0946	132.1018	Inhouse_sept12	NA	NA
+LABER014	Isoleucine	NA	131.0946	132.1018	Inhouse_sept12	NA	NA
+EUR029	L-Isoleucine	C6H13NO2	131.0946	Wishlist	Inhousejuil11	NA	NA
+EUR030	L-Leucine	C6H13NO2	131.0946	Wishlist	Inhousejuil11	NA	NA
+EUR609	Isoleucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+EUR610	Leucine 	[M+H]+	131.0946	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	Inhousejuil11	NA	NA
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	Inhousejuil11	NA	NA
+C00123	L-Leucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C00407	L-Isoleucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C01570	D-Leucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C01933	L-Norleucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C02378	6-Aminohexanoate	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C02486	(3R)-beta-Leucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C06418	D-Isoleucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C08263	beta-Alaninebetaine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C16434	Isoleucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C16439	Leucine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+C16647	N,N-Diethylglycine	C6H13NO2	131.0946	NA	KEGG	NA	NA
+PJ000008	L 	C6H13NO2	131.0946	NA	PeJP	NA	NA
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	PFEM_hmdb_metabocards_blood	NA	blood
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	PFEM_hmdb_metabocards_blood	NA	blood
+LABER002	Leucine	C6H13NO2	131.0946	RT 2.92 fragt 132, 86, 44, 69	PFEM_hmdb_metabocards_official	NA	NA
+LABER014	Isoleucine	HMDB00172_RT3.77_add86	131.0946	RT 2.91 fragt 132, 86, 44, 69	PFEM_hmdb_metabocards_official	NA	NA
+MJ001277	2-Amino-3,3-dimethylbutanoic acid 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001278	2-Amino-3-methylpentanoic acid 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001279	2-Methyl-3,4-piperidinediol 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001280	3-Amino-2-methylpentanoic acid 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001281	6-Aminohexanoic acid 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001282	Alanine trimethylbetaine 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001283	Leucine 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001284	(3R)-beta-Leucine 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001285	6-Aminohexanoate 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001286	L-Isoleucine 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MJ001287	L-Leucine 	C6H13NO2	131.094628	NA	MeJP	NA	NA
+MetaCyc00656	L-2-aminohexanoate [L-norleucine;L-2-aminohexanoic acid;L-aminohexanoate;L-aminohexanoic acid;]	C6H13N1O2	131.094629	327-57-1	metacyc	NA	NA
+MetaCyc00657	6-aminohexanoate [capracid;caplamin;caprolisin;capramol;capralense;aminokapron;atsemin;afibrin;acepramine;hexanoic acid, 6-amino-;6-amino-n-hexanoic acid;6-aminocaproic acid;acepramin;&epsilon;-aminocaproate;6-amino-n-caproic acid;aminocaproic acid;amicar;epsilcapramine;6-amino-n-caproate;6-aminohexanoic acid;&epsilon;-aminocaproic acid;]	C6H13N1O2	131.094629	60-32-2	metacyc	NA	NA
+MetaCyc00658	&beta;-leucine [(3R)-&beta;-2-amino-4-methylvaleric acid;L-&beta;-leucine;3-amino-4-methylpentanoate;(3R)-&beta;-leucine;]	C6H13N1O2	131.094629	NA	metacyc	NA	NA
+MetaCyc00659	L-leucine [(2S)-&alpha;-2-amino-4-methylvaleric acid;L;leu;leucine;2-amino-4-methylvaleric acid;(2S)-&alpha;-leucine;]	C6H13N1O2	131.094629	61-90-5	metacyc	NA	NA
+MetaCyc00660	L-isoleucine [I;ile;iso-leucine;]	C6H13N1O2	131.094629	73-32-5	metacyc	NA	NA
+MetaCyc00661	&beta;-alanine betaine [N,N,N-trimethyl-&beta;-alanine;]	C6H13N1O2	131.094629	NA	metacyc	NA	NA
+HMDB00172	L-Isoleucine	C6H13NO2	131.094635	NA	HMDB2010	NA	NA
+HMDB00557	L-Alloisoleucine	C6H13NO2	131.094635	NA	HMDB2010	NA	NA
+HMDB00687	L-Leucine	C6H13NO2	131.094635	NA	HMDB2010	NA	NA
+HMDB01645	L-Norleucine	C6H13NO2	131.094635	NA	HMDB2010	NA	NA
+HMDB01901	Aminocaproic acid	C6H13NO2	131.094635	NA	HMDB2010	NA	NA
+HMDB03640	Beta-Leucine	C6H13NO2	131.094635	NA	HMDB2010	NA	NA
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00172	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00687	L-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00687	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00172	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00687	L-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00687	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01901	e-Aminocaproic acid	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB01901	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03640	beta-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB03640	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00172	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00687	L-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00687	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00172	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00687	L-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00687	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00172	HMDB	NA	NA
+HMDB00687	L-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00687	HMDB	NA	NA
+HMDB01645	L-Norleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB01645	HMDB	NA	NA
+HMDB01901	e-Aminocaproic acid	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB01901	HMDB	NA	NA
+HMDB03640	beta-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB03640	HMDB	NA	NA
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	Polypeptides  ;SYN:[leu]enkephalin; [Leu 5]enkephalin; [5-Leucine]Enkephalin; [Leu5]-Enkephalin; Leucine enkephalinH2Blood	Inhouse_peptide	NA	peptide
+HMDB00557	L-Alloisoleucine	C6H13NO2	131.09464	NA  ;SYN:3-Chloro-L-tyrosine; L-(8CI)-3-chloro-Tyrosine; Monochlorotyrosine; ChlorotyrosineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00687	L-Leucine	C6H13NO2	131.09464	NA  ;SYN:DL-Methionine sulfoxide; L-Methionine sulfoxide; S-oxide-methionine; alpha-amino-gamma-(methylsulfinyl)-Butyric acid; 2-amino-4-(methylsulfinyl)-Butanoic acid; 2-amino-4-(methylsulfinyl)-Butanoate; L-methionine R-oxide;L-methionine (S)-S-oxideH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01901	Aminocaproic acid	C6H13NO2	131.09464	NA  ;SYN:(2S)-2-acetamido-5-aminopentanoic acid; AOR; N(2)-acetyl-L-ornithine; N2-Acetyl-L-ornithine; (2S)-2-acetamido-5-aminopentanoate; Acetyl-OrnithineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03640	Beta-Leucine	C6H13NO2	131.09464	NA  ;SYN:1-Methyl-5-imidazoleacetic acid; 1-methyl-Imidazole-5-acetic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00172	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00687	L-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB00687	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01901	e-Aminocaproic acid	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB01901	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03640	beta-Leucine	C6H13NO2	131.09464	http://www.hmdb.ca/metabolites/HMDB03640	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00172	L-Isoleucine	C6H13NO2	131.09464	HMDB00172	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00687	L-Leucine	C6H13NO2	131.09464	HMDB00687	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01645	L-Norleucine	C6H13NO2	131.09464	HMDB01645	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01901	e-Aminocaproic acid	C6H13NO2	131.09464	HMDB01901	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03640	beta-Leucine	C6H13NO2	131.09464	HMDB03640	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0093	N-Acetylleucine  [(M-H)-(C2H2O)]-	C6H12NO2	131.095225	C18rt(min)=6.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0093	N-Acetylleucine  [(M-H)-(C2H2O)]-	C6H12NO2	131.095225	C18rt(min)=6.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ001288	(4-Aminobutyl)urea 	C5H13N3O	131.105862	NA	MeJP	NA	NA
+MJ001289	(4-Hydroxybutyl)guanidine 	C5H13N3O	131.105862	NA	MeJP	NA	NA
+MJ001290	N-Carbamoylputrescine 	C5H13N3O	131.105862	NA	MeJP	NA	NA
+MetaCyc00662	N-carbamoylputrescine []	C5H13N3O1	131.105862	6851-51-0	metacyc	NA	NA
+C00436	N-Carbamoylputrescine	C5H13N3O	131.1059	NA	KEGG	NA	NA
+C17146	4-Guanidino-1-butanol	C5H13N3O	131.1059	NA	KEGG	NA	NA
+CJpos0229	N-Acetylputrescine (and isomer) [(M+H)]+ (13C)	C513CH15N2O	131.113375	C18rt(min)=1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0229	N-Acetylputrescine (and isomer) [(M+H)]+ (13C)	C513CH15N2O	131.113375	C18rt(min)=1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03375	Norspermidine	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03376	Blood group A substance	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03377	Blood group B substance	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03378	Coagulation Factor VIIa	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03379	Coagulation Factor XIIa	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03380	Complement component C2	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03381	Complement component C4	C6H17N3	131.1422	NA	KEGG	NA	NA
+C03382	Complement receptor CR1	C6H17N3	131.1422	NA	KEGG	NA	NA
+HMDB11634	Norspermidine	C6H17N3	131.142242	NA	HMDB2010	NA	NA
+MJ001291	3,3'-Diaminodipropylamine 	C6H17N3	131.142247	NA	MeJP	NA	NA
+MetaCyc00663	bis(3-aminopropyl)amine [3,3'-Iminobispropylamine;]	C6H17N3	131.142248	56-18-8	metacyc	NA	NA
+MJ001292	Aluminium(III) chloride (AlCl3) 	AlCl3	131.888096	NA	MeJP	NA	NA
+MJ001293	Xenon 	Xe	131.904154	NA	MeJP	NA	NA
+C13373	Xenon	Xe	131.9042	NA	KEGG	NA	NA
+C13374	Transferred to D01902	Xe	131.9042	NA	KEGG	NA	NA
+C13375	Transferred to D01903	Xe	131.9042	NA	KEGG	NA	NA
+MJ001294	1,1,2-Trichloroethane 	C2H3Cl3	131.930033	NA	MeJP	NA	NA
+MetaCyc00664	1,1,2-trichloroethane []	C2H3CL3	131.930033	NA	metacyc	NA	NA
+MetaCyc00665	1,1,1-trichloroethane []	C2H3CL3	131.930033	NA	metacyc	NA	NA
+HMDB03256	Malate	C4H4O5	132.00587	http://www.hmdb.ca/metabolites/HMDB03256	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03256	Malate	C4H4O5	132.00587	http://www.hmdb.ca/metabolites/HMDB03256	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03256	Malate	C4H4O5	132.00587	http://www.hmdb.ca/metabolites/HMDB03256	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00223	Oxalacetic acid	C4H4O5	132.00587	http://www.hmdb.ca/metabolites/HMDB00223	HMDB	NA	NA
+HMDB03256	Malate	C4H4O5	132.00587	http://www.hmdb.ca/metabolites/HMDB03256	HMDB	NA	NA
+HMDB00223	Oxalacetic acid	C4H4O5	132.00587	HMDB00223	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03256	Malate	C4H4O5	132.00587	HMDB03256	PFEM_hmdb_metabocards_official	NA	NA
+MJ001295	trans-2,3-Epoxysuccinate 	C4H4O5	132.005873	NA	MeJP	NA	NA
+MJ001296	2-Hydroxyethylenedicarboxylate 	C4H4O5	132.005873	NA	MeJP	NA	NA
+MJ001297	Oxaloacetate 	C4H4O5	132.005873	NA	MeJP	NA	NA
+MJ001298	2,3-Oxiranedicarboxylic acid 	C4H4O5	132.005873	NA	MeJP	NA	NA
+MJ001299	Oxobutanedioic acid 	C4H4O5	132.005873	NA	MeJP	NA	NA
+MetaCyc00666	oxaloacetate [keto-oxaloacetate;oxaloacetic acid;oxalacetic acid;oxaloacetate;oxalacetate;]	C4H4O5	132.005873	328-42-7	metacyc	NA	NA
+MetaCyc00667	enol-oxaloacetate [enol-oxaloacetic acid;2-hydroxyethylenedicarboxylate;]	C4H4O5	132.005873	2088920	metacyc	NA	NA
+MetaCyc00668	trans-2,3-Epoxysuccinate []	C4H4O5	132.005873	NA	metacyc	NA	NA
+HMDB00223	Oxalacetic acid	C4H4O5	132.005875	NA	HMDB2010	NA	NA
+C00036	Oxaloacetate	C4H4O5	132.0059	NA	KEGG	NA	NA
+C03548	trans-2,3-Epoxysuccinate	C4H4O5	132.0059	NA	KEGG	NA	NA
+C03981	2-Hydroxyethylenedicarboxylate	C4H4O5	132.0059	NA	KEGG	NA	NA
+C00802	Oxalureate	C3H4N2O4	132.0171	NA	KEGG	NA	NA
+MetaCyc00669	oxalureate [Oxaluric acid;Monooxalylurea;]	C3H4N2O4	132.017107	585-05-7	metacyc	NA	NA
+MetaCyc00670	(NH4)2SO4 [ammonium sulfate;]	H8N2O4S1	132.020477	NA	metacyc	NA	NA
+MJ001300	2,4,6-Octatriynoic acid 	C8H4O2	132.021129	NA	MeJP	NA	NA
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR291	Methionine F2	NA	132.022775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR291	Methionine F2	NA	132.022775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR291	Methionine F2	NA	132.022775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR291	Methionine F2	F2	132.022775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR291	Methionine F2	NA	132.022775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR291	Methionine F2	F2	132.022775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0230	Methionine (and isomer) [(M+H)-(NH3)]+	C5H9O2S	132.023975	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0230	Methionine (and isomer) [(M+H)-(NH3)]+	C5H9O2S	132.023975	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11074	THTC	C5H8O2S	132.0245	NA	KEGG	NA	NA
+C16630	5,6-Dihydro-5-fluorouracil	C4H5FN2O2	132.0335	NA	KEGG	NA	NA
+7616	ACE inhibitor	GG	132.042	antioxidative	Inhouse_peptide	NA	peptide
+HMDB00576	Monoethyl malonic acid	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+HMDB00622	Ethylmalonic acid	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+HMDB00661	Glutaric acid	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+HMDB01844	Methylsuccinic acid	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+HMDB02001	Dimethylmalonic acid	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+HMDB06833	2-Acetolactate	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+HMDB06855	(S)-2-Acetolactate	C5H8O4	132.042252	NA	HMDB2010	NA	NA
+MJ001301	(R)-3-Hydroxy-3-methyl-2-oxobutanoate 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001302	(S)-2-Acetolactate 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001303	2-Acetolactate 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001304	4-Hydroxy-2-oxopentanoate 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001305	Glutarate 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001306	alpha-Hydroxymethyl succinate semialdehyde 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001307	2-C-Methyl-1,4-erythronolactone 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001308	3,4-Dihydroxy-2-methylenebutanoic acid 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001309	4,5-Dihydro-3,4-dihydroxy-3-methyl-2(3H)-furanone 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001310	4,5-Dihydro-3-hydroxy-5-(hydroxymethyl)-2(3H)-furanone 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001311	4,5-Dihydro-4-hydroxy-5-(hydroxymethyl)-2(3H)-furanone 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001312	5-Deoxy-1,4-lyxonolactone 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001313	5-Hydroxy-4-oxopentanoic acid 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001314	Arabinan 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001315	Pentanedioic acid 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MJ001316	Xylan 	C5H8O4	132.042258	NA	MeJP	NA	NA
+MetaCyc00671	glutarate []	C5H8O4	132.042259	NA	metacyc	NA	NA
+MetaCyc00672	4,5-dihydroxy-2,3-pentanedione [(S)-4,5-dihydroxypentan-2,3-dione;DHPD;]	C5H8O4	132.042259	NA	metacyc	NA	NA
+MetaCyc00673	2-deoxyribonolactone [deoxyribonolactone;]	C5H8O4	132.042259	NA	metacyc	NA	NA
+MetaCyc00674	mono-methyl hydrogen succinate [butanedioic acid, monomethyl ester;methyl hydrogen succinate;]	C5H8O4	132.042259	3878-55-5	metacyc	NA	NA
+MetaCyc00675	3-hydroxy-3-methyl-2-oxobutanoate [2-Oxo-3-hydroxyisovalerate;]	C5H8O4	132.042259	NA	metacyc	NA	NA
+MetaCyc00676	4-hydroxy-2-ketovalerate [HKP;4-hydroxy-2-keto-pentanoic acid;4-hydroxy-2-ketovaleric acid;4-hydroxy-2-oxo-valeric acid;4-hydroxy-2-oxo-pentanoic acid;4-hydroxy-2-oxovaleric acid;2-oxo-4-hydroxyvalerate;4-hydroxy-2-oxo-valerate;4-hydroxy-2-oxopentanoate;]	C5H8O4	132.042259	111844-33-8	metacyc	NA	NA
+MetaCyc00677	2-hydroxymethyl-4-oxobutanoate [&alpha;-hydroxymethyl succinate semialdehyde;2-hydroxymethyl succinate semialdehyde;]	C5H8O4	132.042259	NA	metacyc	NA	NA
+MetaCyc00678	2-acetolactate [(S)-2-hydroxy-2-methyl-3-oxobutanoate;&alpha;-acetolactate;]	C5H8O4	132.042259	NA	metacyc	NA	NA
+MetaCyc00679	methylsuccinate []	C5H8O4	132.042259	NA	metacyc	NA	NA
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR611	Glutaric acid 	NA	132.04226	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR611	Glutaric acid 	C5H8O4	132.04226	133.04946	Inhouse_sept12	NA	NA
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR611	Glutaric acid 	NA	132.04226	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00622	Ethylmalonic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00622	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00661	Glutaric acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00661	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01844	Methylsuccinic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB01844	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00661	Glutaric acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00661	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00622	Ethylmalonic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00622	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00661	Glutaric acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00661	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01844	Methylsuccinic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB01844	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00622	Ethylmalonic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00622	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00661	Glutaric acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00661	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01844	Methylsuccinic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB01844	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00576	Monoethyl malonic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00576	HMDB	NA	NA
+HMDB00622	Ethylmalonic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00622	HMDB	NA	NA
+HMDB00661	Glutaric acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00661	HMDB	NA	NA
+HMDB01844	Methylsuccinic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB01844	HMDB	NA	NA
+HMDB02001	Dimethylmalonic acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB02001	HMDB	NA	NA
+HMDB06833	2-Acetolactate 	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB06833	HMDB	NA	NA
+HMDB06855	(S)-2-Acetolactate	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB06855	HMDB	NA	NA
+HMDB00661	Glutaric acid	C5H8O4	132.04227	http://www.hmdb.ca/metabolites/HMDB00661	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00576	Monoethyl malonic acid	C5H8O4	132.04227	HMDB00576	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00622	Ethylmalonic acid	C5H8O4	132.04227	HMDB00622	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00661	Glutaric acid	C5H8O4	132.04227	HMDB00661	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01844	Methylsuccinic acid	C5H8O4	132.04227	HMDB01844	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02001	Dimethylmalonic acid	C5H8O4	132.04227	HMDB02001	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06833	2-Acetolactate 	C5H8O4	132.04227	HMDB06833	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06855	(S)-2-Acetolactate	C5H8O4	132.04227	HMDB06855	PFEM_hmdb_metabocards_official	NA	NA
+EUR611	Glutaric acid 	[M-H]-	132.0423	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR611	Glutaric acid 	[M-H]-	132.0423	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR611	Glutaric acid 	[M-H]-	132.0423	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR611	Glutaric acid 	[M-H]-	132.0423	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00489	Glutarate	C5H8O4	132.0423	NA	KEGG	NA	NA
+C00900	2-Acetolactate	C5H8O4	132.0423	NA	KEGG	NA	NA
+C02674	Deoxyribonolactone	C5H8O4	132.0423	NA	KEGG	NA	NA
+C03589	4-Hydroxy-2-oxopentanoate	C5H8O4	132.0423	NA	KEGG	NA	NA
+C04106	2-(Hydroxymethyl)-4-oxobutanoate	C5H8O4	132.0423	NA	KEGG	NA	NA
+C04181	3-Hydroxy-3-methyl-2-oxobutanoic acid	C5H8O4	132.0423	NA	KEGG	NA	NA
+C06010	(S)-2-Acetolactate	C5H8O4	132.0423	NA	KEGG	NA	NA
+C11838	(4S)-4,5-Dihydroxypentan-2,3-dione	C5H8O4	132.0423	NA	KEGG	NA	NA
+HMDB00844	Pteridine	C6H4N4	132.04359	http://www.hmdb.ca/metabolites/HMDB00844	HMDB	NA	NA
+HMDB00844	Pteridine	C6H4N4	132.04359	HMDB00844	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00680	pteridine-ring []	C6H4N4	132.043596	NA	metacyc	NA	NA
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	PFEM_hmdb_metabocards_urine	NA	urine
+JH027	Glutaric acid  [M+H]+	C5H8O4	132.0436	4.25	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH027	Glutaric acid  [M+H]+	C5H8O4	132.0436	4.25	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH027	Glutaric acid  [M+H]+	C5H8O4	132.0436	4.25	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	HMDB	NA	NA
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	Inhouse_PFEM	NA	NA
+JH027	Glutaric acid  [M+H]+	C5H8O4	132.0436	4.25	Inhousejuil11	NA	NA
+C07581	Pteridine	C6H4N4	132.0436	NA	KEGG	NA	NA
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	PFEM_hmdb_metabocards_blood	NA	blood
+JH027	Glutaric acid  	C5H8O4	132.0436	Rtobs4.25	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0231	3-ureidopropionic acid Asparagine [(M+H)]+	C4H9N2O3	132.052975	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0231	3-ureidopropionic acid § Asparagine [(M+H)]+	C4H9N2O3	132.052975	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001317	3-Ureidopropionate 	C4H8N2O3	132.053492	NA	MeJP	NA	NA
+MJ001318	L-Asparagine 	C4H8N2O3	132.053492	NA	MeJP	NA	NA
+MJ001319	Asparagine 	C4H8N2O3	132.053492	NA	MeJP	NA	NA
+MJ001320	Polynoxylin 	C4H8N2O3	132.053492	NA	MeJP	NA	NA
+MJ001321	[(Methylamino)carbonyl]carbamic acid; Me ester 	C4H8N2O3	132.053492	NA	MeJP	NA	NA
+MetaCyc00681	N-carbamoyl-D-alanine [carbamoyl-D-alanine;]	C4H8N2O3	132.053492	NA	metacyc	NA	NA
+MetaCyc00682	N-carbamoylsarcosine [carbamoyl sarcosine;]	C4H8N2O3	132.053492	NA	metacyc	NA	NA
+MetaCyc00683	3-ureidopropionate [3-Ureidopropanoate;&beta;-Ureidopropionic acid;N-Carbamoyl-&beta;-alanine;]	C4H8N2O3	132.053492	NA	metacyc	NA	NA
+MetaCyc00684	2-ureido-propionate []	C4H8N2O3	132.053492	NA	metacyc	NA	NA
+MetaCyc00685	L-asparagine [asparagine;&alpha;-aminosuccinamic acid;(-)-asparagine;(S)-2,4-diamino-4-oxobutanoic acid;(S)-asparagine;2,4-diamino-4-oxobutanoic acid, (S)-;2-aminosuccinamic acid, L-;agedoite;altheine;asparagine acid;aspartic acid &beta;-amide;butanoic acid, 2,4-diamino-4-oxo-, (S)-;L-2,4-diamino-4-oxobutanoic acid;L-asparatamine;L-&beta;-asparagine;]	C4H8N2O3	132.053492	70-47-3	metacyc	NA	NA
+MetaCyc00686	D-asparagine []	C4H8N2O3	132.053492	NA	metacyc	NA	NA
+MetaCyc00687	glycylglycine []	C4H8N2O3	132.053492	556-50-3	metacyc	NA	NA
+HMDB00026	Ureidopropionic acid	C4H8N2O3	132.053497	NA	HMDB2010	NA	NA
+HMDB00168	L-Asparagine	C4H8N2O3	132.053497	NA	HMDB2010	NA	NA
+HMDB11733	Glycyl-glycine	C4H8N2O3	132.053497	NA	HMDB2010	NA	NA
+HMDB12265	N-Carbamoylsarcosine	C4H8N2O3	132.053497	NA	HMDB2010	NA	NA
+HMDB00026	Ureidopropionic acid	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00026	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00168	PFEM_hmdb_metabocards_urine	NA	urine
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	PFEM_hmdb_metabocards_urine	NA	urine
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00168	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00026	Ureidopropionic acid	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00026	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00168	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00026	Ureidopropionic acid	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00026	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00168	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00026	Ureidopropionic acid	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00026	HMDB	NA	NA
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00168	HMDB	NA	NA
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	HMDB	NA	NA
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	Inhouse_PFEM	NA	NA
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	Inhousejuil11	NA	NA
+C00152	L-Asparagine	C4H8N2O3	132.0535	NA	KEGG	NA	NA
+C01043	N-Carbamoylsarcosine	C4H8N2O3	132.0535	NA	KEGG	NA	NA
+C01905	D-Asparagine	C4H8N2O3	132.0535	NA	KEGG	NA	NA
+C02037	Glycylglycine	C4H8N2O3	132.0535	NA	KEGG	NA	NA
+C02038	Glycylpeptide	C2H5NO2	132.0535	NA	KEGG	NA	NA
+C02642	3-Ureidopropionate	C4H8N2O3	132.0535	NA	KEGG	NA	NA
+C16438	Asparagine	C4H8N2O3	132.0535	NA	KEGG	NA	NA
+PJ000009	N 	C4H8N2O3	132.0535	NA	PeJP	NA	NA
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	http://www.hmdb.ca/metabolites/HMDB00168	PFEM_hmdb_metabocards_blood	NA	blood
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	PFEM_hmdb_metabocards_blood	NA	blood
+LABER008	Asparagine	NA	132.0535	RT 1.95 133, 74, 70, 87	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00026	Ureidopropionic acid	C4H8N2O3	132.0535	HMDB00026	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	HMDB00168	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00168	L-Asparagine	C4H8N2O3	132.0535	Polypeptides  ;SYN:Des-Asp-1-Angiotensin IIH2Blood	Inhouse_peptide	NA	peptide
+CJneg0094	3-ureidopropionic acid / Asparagine [(M-H)]-	C4H7N2O3	132.054025	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0094	3-ureidopropionic acid / Asparagine [(M-H)]-	C4H7N2O3	132.054025	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB06344	Alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	132.055496	MH2+	Inhouse_peptide	NA	peptide
+C00903	Cinnamaldehyde	C9H8O	132.0575	NA	KEGG	NA	NA
+C01504	Indanone	C9H8O	132.0575	NA	KEGG	NA	NA
+C07727	2-Indanone	C9H8O	132.0575	NA	KEGG	NA	NA
+C16592	Atropaldehyde	C9H8O	132.0575	NA	KEGG	NA	NA
+HMDB03441	Cinnamaldehyde	C9H8O	132.05751	http://www.hmdb.ca/metabolites/HMDB03441	HMDB	NA	NA
+HMDB03441	Cinnamaldehyde	C9H8O	132.05751	HMDB03441	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03441	Cinnamaldehyde	C9H8O	132.05751	NA	HMDB2010	NA	NA
+MJ001322	3,4-Nonadiene-6,8-diyn-1-ol 	C9H8O	132.057514	NA	MeJP	NA	NA
+MJ001323	3,5,7-Nonatriyn-1-ol 	C9H8O	132.057514	NA	MeJP	NA	NA
+MJ001324	3-Phenyl-2-propenal 	C9H8O	132.057514	NA	MeJP	NA	NA
+MJ001325	2-Indanone 	C9H8O	132.057514	NA	MeJP	NA	NA
+MJ001326	Cinnamaldehyde 	C9H8O	132.057514	NA	MeJP	NA	NA
+MJ001327	Indanone 	C9H8O	132.057514	NA	MeJP	NA	NA
+MetaCyc00688	cinnamaldehyde []	C9H8O1	132.057515	NA	metacyc	NA	NA
+MetaCyc00689	2-indanone []	C9H8O1	132.057515	615-13-4	metacyc	NA	NA
+MetaCyc00690	indanone [1-indanone;Hydrindone;1H-Inden-1-one, 2,3-dihydro-;]	C9H8O1	132.057515	83-33-0	metacyc	NA	NA
+MJ001328	4-Mercapto-4-methyl-2-pentanone 	C6H12OS	132.060885	NA	MeJP	NA	NA
+C06381	Methylenediurea	C3H8N4O2	132.0647	NA	KEGG	NA	NA
+MetaCyc00691	methylenediurea []	C3H8N4O2	132.064726	NA	metacyc	NA	NA
+3384	ACE inhibitor	VF	132.068	MH2+	Inhouse_peptide	NA	peptide
+C01819	Indoleamine	C8H8N2	132.0687	NA	KEGG	NA	NA
+C01820	Isolichenin	C8H8N2	132.0687	NA	KEGG	NA	NA
+CJpos0232	Creatine [(M+H)]+ (13C)	C313CH10N3O2	132.072275	C18rt(min)=0.93 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0232	Creatine [(M+H)]+ (13C)	C313CH10N3O2	132.072275	C18rt(min)=0.93 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C13773	1,1-Diethyl-2-hydroxy-2-nitrosohydrazine	C4H10N3O2	132.0773	NA	KEGG	NA	NA
+C13774	Transferred to D02141	C4H10N3O2	132.0773	NA	KEGG	NA	NA
+C03264	D-2-Hydroxyisocaproate	C6H12O3	132.0786	NA	KEGG	NA	NA
+C03499	Ethyl (R)-3-hydroxybutanoate	C6H12O3	132.0786	NA	KEGG	NA	NA
+C06103	6-Hydroxyhexanoic acid	C6H12O3	132.0786	NA	KEGG	NA	NA
+C07834	Paraldehyde	C6H12O3	132.0786	NA	KEGG	NA	NA
+C07835	Transferred to D00706	C6H12O3	132.0786	NA	KEGG	NA	NA
+HMDB00525	5-Hydroxyhexanoic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00525	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00525	5-Hydroxyhexanoic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00525	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00525	5-Hydroxyhexanoic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00525	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00317	2-Hydroxy-3-methylpentanoic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00317	HMDB	NA	NA
+HMDB00409	(5R)-5-Hydroxyhexanoic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00409	HMDB	NA	NA
+HMDB00525	5-Hydroxyhexanoic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00525	HMDB	NA	NA
+HMDB00624	D-Leucic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00624	HMDB	NA	NA
+HMDB00665	Leucinic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00665	HMDB	NA	NA
+HMDB00746	Hydroxyisocaproic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB00746	HMDB	NA	NA
+HMDB01624	2-Hydroxycaproic acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB01624	HMDB	NA	NA
+HMDB01975	2-Ethyl-2-Hydroxybutyric acid	C6H12O3	132.07864	http://www.hmdb.ca/metabolites/HMDB01975	HMDB	NA	NA
+HMDB00317	2-Hydroxy-3-methylpentanoic acid	C6H12O3	132.07864	HMDB00317	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00409	(5R)-5-Hydroxyhexanoic acid	C6H12O3	132.07864	HMDB00409	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00525	5-Hydroxyhexanoic acid	C6H12O3	132.07864	HMDB00525	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00624	D-Leucic acid	C6H12O3	132.07864	HMDB00624	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00665	Leucinic acid	C6H12O3	132.07864	HMDB00665	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00746	Hydroxyisocaproic acid	C6H12O3	132.07864	HMDB00746	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01624	2-Hydroxycaproic acid	C6H12O3	132.07864	HMDB01624	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01975	2-Ethyl-2-Hydroxybutyric acid	C6H12O3	132.07864	HMDB01975	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00317	2-Hydroxy-3-methylpentanoic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB00409	(5R)-5-Hydroxyhexanoic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB00525	5-Hydroxyhexanoic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB00624	D-Leucic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB00665	Leucinic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB00746	Hydroxyisocaproic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB01624	2-Hydroxycaproic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB01975	2-Ethyl-2-Hydroxybutyric acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+HMDB10718	(R)-3-Hydroxyhexanoic acid	C6H12O3	132.078644	NA	HMDB2010	NA	NA
+MJ001329	2,4,6-Trimethyl-1,3,5-trioxane 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001330	2-Hydroxy-3-methylpentanoic acid 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001331	2-Hydroxy-4-methylpentanoic acid 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001332	2-Hydroxyhexanoic acid 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001333	3-Hydroxy-3-methylpentanoic acid 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001334	4,5-Dihydroxyhexanal 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001335	5-Hydroxy-4,4-dimethyl-1,3-dioxane 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MJ001336	6-Hydroxyhexanoate 	C6H12O3	132.078644	NA	MeJP	NA	NA
+MetaCyc00692	6-hydroxyhexanoate []	C6H12O3	132.078644	NA	metacyc	NA	NA
+HMDB00214	Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB00214	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00214	Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB00214	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03374	D-Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB03374	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00214	Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB00214	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00214	Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB00214	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00214	Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB00214	HMDB	NA	NA
+HMDB03374	D-Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB03374	HMDB	NA	NA
+HMDB00214	Ornithine	C5H12N2O2	132.08987	NA  ;SYN:5-amino-4-oxo-Pentanoate; 5-amino-4-oxo-Pentanoic acid; 5-Amino-4-oxopentanoate; 5-Amino-4-oxopentanoic acid; 5-Amino-4-oxovalerate; 5-Amino-4-oxovaleric acid; 5-amino-Levulinate; 5-amino-Levulinic acid; 5-aminolaevulinate; 5-Aminolaevulinic acid; 5-Aminolevulinate; Aladerm; Amino-levulinic acid; Aminolevulinate; Aminolevulinic acid; delta-aminolevulinate; delta-Aminolevulinic acid; KerastickH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03374	D-Ornithine	C5H12N2O2	132.08987	NA  ;SYN:N2-Acetyl-L-arginine; N-alpha-l-acetyl-arginine; N-acetyl-l-arginine; N-alpha-Acetyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00214	Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB00214	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03374	D-Ornithine	C5H12N2O2	132.08987	http://www.hmdb.ca/metabolites/HMDB03374	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00214	Ornithine	C5H12N2O2	132.08987	HMDB00214	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03374	D-Ornithine	C5H12N2O2	132.08987	HMDB03374	PFEM_hmdb_metabocards_official	NA	NA
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	PFEM_hmdb_metabocards_urine	NA	urine
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	HMDB	NA	NA
+HMDB00214	Ornithine	C5H12N2O2	132.089874	NA	HMDB2010	NA	NA
+HMDB03374	D-Ornithine	C5H12N2O2	132.089874	NA	HMDB2010	NA	NA
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	Inhouse_PFEM	NA	NA
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	Inhousejuil11	NA	NA
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	PFEM_hmdb_metabocards_blood	NA	blood
+LABER056	ornithine	NA	132.089874	RT 1.64 fragt 133, 70, 116	PFEM_hmdb_metabocards_official	NA	NA
+MJ001337	D-threo-2,4-Diaminopentanoate 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001338	D-Ornithine 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001339	L-Ornithine 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001340	2,4-Diamino-3-methylbutanoic acid 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001341	2,4-Diaminopentanoic acid 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001342	2,5-Diaminopentanoic acid 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001343	2-Amino-3-(dimethylamino)propanoic acid 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MJ001344	Antibiotic KT 151 	C5H12N2O2	132.089877	NA	MeJP	NA	NA
+MetaCyc00693	N4-acetyl-N4-hydroxy-1-aminopropane []	C5H12N2O2	132.089878	NA	metacyc	NA	NA
+MetaCyc00694	2,5-diaminopentanoate []	C5H12N2O2	132.089878	NA	metacyc	NA	NA
+MetaCyc00695	2,4-diaminopentanoate [2,4-di-NH2-pentanoate;2,4-diaminopentanoate;(2R,4S)-2, 4-diaminopentanoate;]	C5H12N2O2	132.089878	126253-36-9	metacyc	NA	NA
+MetaCyc00696	D-ornithine []	C5H12N2O2	132.089878	348-66-3	metacyc	NA	NA
+MetaCyc00697	L-ornithine [Ornithine;2, 5-diaminovaleric acid;2, 5-diaminopentanoic acid;2, 5-diaminopentanoate;&alpha;,&delta;-diaminovaleric acid;]	C5H12N2O2	132.089878	70-26-8	metacyc	NA	NA
+C00077	L-Ornithine	C5H12N2O2	132.0899	NA	KEGG	NA	NA
+C00515	D-Ornithine	C5H12N2O2	132.0899	NA	KEGG	NA	NA
+C00516	Fibronectin	C5H12N2O2	132.0899	NA	KEGG	NA	NA
+C01602	Ornithine	C5H12N2O2	132.0899	NA	KEGG	NA	NA
+C01603	Paramylon	C5H12N2O2	132.0899	NA	KEGG	NA	NA
+C03943	(2R,4S)-2,4-Diaminopentanoate	C5H12N2O2	132.0899	NA	KEGG	NA	NA
+C14114	Tetralin	C10H12	132.0939	NA	KEGG	NA	NA
+C14411	Dicyclopentadiene	C10H12	132.0939	NA	KEGG	NA	NA
+MJ001345	1-Methyl-4-(2-propenyl)benzene 	C10H12	132.0939	NA	MeJP	NA	NA
+MJ001346	p-Mentha-1,3,5,8-tetraene 	C10H12	132.0939	NA	MeJP	NA	NA
+CJpos0233	Norleucine [(M+H)]+ (13C)	C513CH14NO2	132.097475	C18rt(min)=2.48 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0234	Leucine (and isomers) [M+H]+ (13C)	C5[13]CH14O2N	132.097475	C18rt(min)=1.08 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0233	Norleucine [(M+H)]+ (13C)	C513CH14NO2	132.097475	C18rt(min)=2.48 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0234	Leucine (and isomers) [M+H]+ (13C)	C5[13]CH14O2N	132.097475	C18rt(min)=1.08 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001347	(3-Aminopropoxy)guanidine 	C4H12N4O	132.101111	NA	MeJP	NA	NA
+MJ001348	2,2-Diethyl-1,3-propanediol 	C7H16O2	132.115029	NA	MeJP	NA	NA
+MetaCyc00698	CuCl2 [CuCl2;Cupric Chloride;dichlorocopper;]	CL2CU1	132.867307	NA	metacyc	NA	NA
+C07280	Rhodanine	C3H3NOS2	132.9656	NA	KEGG	NA	NA
+C07281	[eIF5A-precursor]-lysine	C7H13N3O2R2	132.9656	NA	KEGG	NA	NA
+C07282	[eIF5A-precursor]-deoxyhypusine	C11H22N4O2R2	132.9656	NA	KEGG	NA	NA
+C07283	(1->3)-beta-D-Galactopyranans	C12H22O10	132.9656	NA	KEGG	NA	NA
+MJ001349	1-Isothiocyanato-2-(methylthio)ethane 	C4H7NS2	133.00199	NA	MeJP	NA	NA
+MJ001350	4-Thiazolidinecarboxylic acid 	C4H7NO2S	133.019749	NA	MeJP	NA	NA
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR287	Homocysteine F3	NA	133.020075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR287	Homocysteine F3	NA	133.020075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR287	Homocysteine F3	NA	133.020075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR287	Homocysteine F3	NA	133.020075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR287	Homocysteine F3	F3	133.020075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0235	N-Acetylaspartic acid [(M+H)-(C2H2O)]+	C4H8NO4	133.036975	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0235	N-Acetylaspartic acid [(M+H)-(C2H2O)]+	C4H8NO4	133.036975	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	PFEM_hmdb_metabocards_urine	NA	urine
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	HMDB	NA	NA
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	Inhouse_PFEM	NA	NA
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	Inhousejuil11	NA	NA
+C00049	L-Aspartate	C4H7NO4	133.0375	NA	KEGG	NA	NA
+C00050	Metal	C4H7NO4	133.0375	NA	KEGG	NA	NA
+C00402	D-Aspartate	C4H7NO4	133.0375	NA	KEGG	NA	NA
+C00403	Polypeptide	C4H6N2O3R2	133.0375	NA	KEGG	NA	NA
+C00404	(Phosphate)n	H4P2O7	133.0375	NA	KEGG	NA	NA
+C00405	D-Amino acid	C2H4NO2R	133.0375	NA	KEGG	NA	NA
+C16433	Aspartate	C4H7NO4	133.0375	NA	KEGG	NA	NA
+PJ000010	D 	C4H7NO4	133.0375	NA	PeJP	NA	NA
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	PFEM_hmdb_metabocards_blood	NA	blood
+LABER015	Aspartic aid	NA	133.0375	RT 2.05 134, 74, 70, 88	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00191	L-Aspartic acid	C4H7NO4	133.037506	NA	HMDB2010	NA	NA
+HMDB06483	D-Aspartic acid	C4H7NO4	133.037506	NA	HMDB2010	NA	NA
+HMDB11753	Iminodiacetate	C4H7NO4	133.037506	NA	HMDB2010	NA	NA
+MJ001351	D-Aspartate 	C4H7NO4	133.037507	NA	MeJP	NA	NA
+MJ001352	L-Aspartate 	C4H7NO4	133.037507	NA	MeJP	NA	NA
+MJ001353	4-Amino-2-hydroxy-3-oxobutanoic acid 	C4H7NO4	133.037507	NA	MeJP	NA	NA
+MJ001354	Aspartic acid 	C4H7NO4	133.037507	NA	MeJP	NA	NA
+MetaCyc00699	2-hydroxysuccinamate []	C4H7N1O4	133.037508	NA	metacyc	NA	NA
+MetaCyc00700	L-aspartate [L-aspartic acid;aspartic acid;D;aspartate;asp;]	C4H7N1O4	133.037508	56-84-8	metacyc	NA	NA
+MetaCyc00701	D-aspartate [D-aspartic acid;]	C4H7N1O4	133.037508	1783-96-6	metacyc	NA	NA
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB00191	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB00191	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06483	D-Aspartatic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB06483	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB00191	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB00191	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB00191	HMDB	NA	NA
+HMDB06483	D-Aspartatic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB06483	HMDB	NA	NA
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	Tripeptides  ;SYN:a-Spaglumic acid; Acetyl-a-L-aspartylglutamic acid; Isospaglumic acid; N-(N-Acetylaspartyl)glutamic acid; N-Acetyl-a-L-aspartyl-L-glutamic acid; N-Acetyl-a-aspartylglutamic acid; N-Acetyl-L-aspartyl-L-glutamic acid; NAAG; alpha-Spaglumic acid; Acetyl-alpha-L-aspartylglutamic acid; N-Acetyl-alpha-L-aspartyl-L-glutamic acid; N-Acetyl-alpha-aspartylglutamic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB06483	D-Aspartic acid	C4H7NO4	133.03751	NA  ;SYN:(-)-Aspartic acid; (2R)-2-Aminobutanedioic acid; (R)-2-Aminobutanedioic acid; (R)-2-Aminosuccinic acid; (R)-Aspartic acid; 1-Amino-1,2-carboxyethane; aspartic acid; D-(-)-Aspartic acid; D-aspartate; D-Asparaginsaeure; D-aspartic acid; delta-asparaginsaeure; delta-aspartic acid; Lopac-alpha-9256; Tocris-0213; delta-(-)-Aspartic acid; (2R)-2-Aminobutanedioate; (R)-2-Aminobutanedioate; delta-aspartateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB00191	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06483	D-Aspartatic acid	C4H7NO4	133.03751	http://www.hmdb.ca/metabolites/HMDB06483	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00191	L-Aspartic acid	C4H7NO4	133.03751	HMDB00191	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06483	D-Aspartatic acid	C4H7NO4	133.03751	HMDB06483	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0095	Aspartic acid [(M-H)]-	C4H6NO4	133.038025	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0095	Aspartic acid [(M-H)]-	C4H6NO4	133.038025	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02091	Ureidoglycine	C3H7N3O3	133.0487	NA	KEGG	NA	NA
+C02092	Xaa-ornithine	C7H14N3O3R	133.0487	NA	KEGG	NA	NA
+C06382	N-(Carboxyaminomethyl)urea	C3H7N3O3	133.0487	NA	KEGG	NA	NA
+MetaCyc00702	ureidoglycine []	C3H7N3O3	133.048741	NA	metacyc	NA	NA
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR321	Pyridoxine F3	NA	133.051075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR321	Pyridoxine F3	NA	133.051075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR321	Pyridoxine F3	NA	133.051075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR321	Pyridoxine F3	NA	133.051075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR321	Pyridoxine F3	F3	133.051075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04094	Indoxyl	C8H7NO	133.05276	http://www.hmdb.ca/metabolites/HMDB04094	HMDB	NA	NA
+HMDB04094	Indoxyl	C8H7NO	133.05276	HMDB04094	PFEM_hmdb_metabocards_official	NA	NA
+MJ001355	1H-Indol-2-ol 	C8H7NO	133.052763	NA	MeJP	NA	NA
+MJ001356	1H-Indol-3-ol 	C8H7NO	133.052763	NA	MeJP	NA	NA
+MJ001357	2-Hydroxy-2-phenylacetonitrile 	C8H7NO	133.052763	NA	MeJP	NA	NA
+MJ001358	4-(Tetrahydro-2-furylidene)-2-butynenitrile 	C8H7NO	133.052763	NA	MeJP	NA	NA
+MJ001359	4-Hydroxyphenylacetonitrile 	C8H7NO	133.052763	NA	MeJP	NA	NA
+MJ001360	Indoxyl 	C8H7NO	133.052763	NA	MeJP	NA	NA
+MetaCyc00703	mandelonitrile []	C8H7N1O1	133.052764	NA	metacyc	NA	NA
+MetaCyc00704	indoxyl [indole-3-ol;]	C8H7N1O1	133.052764	NA	metacyc	NA	NA
+MetaCyc00705	indolin-2-one [indolin-2(1H)-one;]	C8H7N1O1	133.052764	NA	metacyc	NA	NA
+MetaCyc00706	4-hydroxyphenylacetonitrile [4-Hydroxybenzyl cyanide;]	C8H7N1O1	133.052764	14191-95-8	metacyc	NA	NA
+HMDB04094	Indoxyl	C8H7NO	133.052765	NA	HMDB2010	NA	NA
+C00561	Mandelonitrile	C8H7NO	133.0528	NA	KEGG	NA	NA
+C00562	Phosphoprotein	C8H7NO	133.0528	NA	KEGG	NA	NA
+C02040	Hydroxyindole	C8H7NO	133.0528	NA	KEGG	NA	NA
+C02615	(S)-Mandelonitrile	C8H7NO	133.0528	NA	KEGG	NA	NA
+C02616	1,3-alpha-D-Glucan	C8H7NO	133.0528	NA	KEGG	NA	NA
+C03766	4-Hydroxyphenylacetonitrile	C8H7NO	133.0528	NA	KEGG	NA	NA
+C05658	Indoxyl	C8H7NO	133.0528	NA	KEGG	NA	NA
+C12312	Indolin-2-one	C8H7NO	133.0528	NA	KEGG	NA	NA
+C17241	4-Methylthiobutanaldoxime	C5H11NOS	133.0561	NA	KEGG	NA	NA
+MetaCyc00707	4-methylthiobutanaldoxime []	C5H11N1O1S1	133.056135	NA	metacyc	NA	NA
+8185	ACE inhibitor	TF	133.0575	MH2+	Inhouse_peptide	NA	peptide
+C10901	2-Aminobenzimidazole	C7H7N3	133.064	NA	KEGG	NA	NA
+MJ001361	1-Nitro-2-pentanol 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001362	2-Amino-3-hydroxybutanoic acid, N-Me 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001363	2-Amino-3-hydroxypentanoic acid 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001364	2-Amino-4-hydroxy-3-methylbutanoic acid 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001365	2-Amino-4-hydroxypentanoic acid 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001366	2-Amino-5-hydroxypentanoic acid 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001367	3,4-Dihydroxy-2-(hydroxymethyl)pyrrolidine 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001368	Alanine, N-(2-Hydroxyethyl) 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MJ001369	Serine, N,O-Di-Me 	C5H11NO3	133.073893	NA	MeJP	NA	NA
+MetaCyc00708	N-hydroxyvaline []	C5H11N1O3	133.073893	NA	metacyc	NA	NA
+C07155	Tranylcypromine	C9H11N	133.0891	NA	KEGG	NA	NA
+MJ001370	2,3-Dihydro-2-methylindole 	C9H11N	133.089149	NA	MeJP	NA	NA
+MJ001371	2-Aminoindane 	C9H11N	133.089149	NA	MeJP	NA	NA
+MJ001372	2-Phenylcyclopropylamine 	C9H11N	133.089149	NA	MeJP	NA	NA
+MJ001373	Noractinidine 	C9H11N	133.089149	NA	MeJP	NA	NA
+MJ001374	Zinc chloride 	Cl2Zn	133.866851	NA	MeJP	NA	NA
+MetaCyc00709	ZnCl2 [zinc chloride;dichlorozinc;]	CL2ZN1	133.866852	NA	metacyc	NA	NA
+C12217	Fe(CN)3	C3FeN3	133.9442	NA	KEGG	NA	NA
+MJ001375	Aluminium formate hydroxide (Al(OOCH)2OH) 	C2H3AlO5	133.979586	NA	MeJP	NA	NA
+C00149	(S)-Malate	C4H6O5	134.0215	NA	KEGG	NA	NA
+C00497	(R)-Malate	C4H6O5	134.0215	NA	KEGG	NA	NA
+C00711	Malate	C4H6O5	134.0215	NA	KEGG	NA	NA
+C03064	3-Dehydro-L-threonate	C4H6O5	134.0215	NA	KEGG	NA	NA
+HMDB00156	L-Malic acid	C4H6O5	134.02151	http://www.hmdb.ca/metabolites/HMDB00156	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00156	L-Malic acid	C4H6O5	134.02151	http://www.hmdb.ca/metabolites/HMDB00156	HMDB	NA	NA
+HMDB00744	Malic acid	C4H6O5	134.02151	http://www.hmdb.ca/metabolites/HMDB00744	HMDB	NA	NA
+HMDB00156	L-Malic acid	C4H6O5	134.02151	http://www.hmdb.ca/metabolites/HMDB00156	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00156	L-Malic acid	C4H6O5	134.02151	HMDB00156	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00744	Malic acid	C4H6O5	134.02151	HMDB00744	PFEM_hmdb_metabocards_official	NA	NA
+MJ001376	(R)-Malate 	C4H6O5	134.021523	NA	MeJP	NA	NA
+MJ001377	(S)-Malate 	C4H6O5	134.021523	NA	MeJP	NA	NA
+MJ001378	3-Dehydro-L-threonate 	C4H6O5	134.021523	NA	MeJP	NA	NA
+MJ001379	Malic acid 	C4H6O5	134.021523	NA	MeJP	NA	NA
+MetaCyc00710	(R)-malate [D-malate;D-malic acid;D-(+)-malic acid;]	C4H6O5	134.021523	636-61-3	metacyc	NA	NA
+MetaCyc00711	3-dehydro-L-threonate []	C4H6O5	134.021523	NA	metacyc	NA	NA
+MetaCyc00712	3-ketothreonate [3-oxothreonate;]	C4H6O5	134.021523	NA	metacyc	NA	NA
+MetaCyc00713	malate [hydroxysuccinic acid;hydroxybutanedioic acid;malic acid;L-mal;mal;L-malate;(S)-malate;DL-malic acid;]	C4H6O5	134.021523	6915-15-7	metacyc	NA	NA
+HMDB00156	L-Malic acid	C4H6O5	134.02153	NA	HMDB2010	NA	NA
+HMDB00744	Malic acid	C4H6O5	134.02153	NA	HMDB2010	NA	NA
+CJneg0096	Malic acid [M-H]-	C4H5O5	134.022125	C18rt(min)=1.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0096	Malic acid [M-H]-	C4H5O5	134.022125	C18rt(min)=1.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ001380	3,3-Dimethyl-1,2-dithiolane 	C5H10S2	134.022391	NA	MeJP	NA	NA
+MJ001381	3,4-Dimethyl-1,2-dithiolane 	C5H10S2	134.022391	NA	MeJP	NA	NA
+JH045	Guanine [M+H-NH3]+	NA	134.0229	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH045	Guanine [M+H-NH3]+	NA	134.0229	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH045	Guanine [M+H-NH3]+	NA	134.0229	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH045	Guanine [M+H-NH3]+	NA	134.0229	1.23	Inhousejuil11	NA	NA
+HMDB00575	DL-Homocystine	C8H16N2O4S2	134.0275725	MH2+	Inhouse_peptide	NA	peptide
+MJ001382	[(Methylamino)carbonyl]carbamic acid; N2-Hydroxy 	C3H6N2O4	134.032756	NA	MeJP	NA	NA
+MJ001383	(-)-Ureidoglycolate 	C3H6N2O4	134.032756	NA	MeJP	NA	NA
+MetaCyc00714	ureidoglycollate []	C3H6N2O4	134.032757	NA	metacyc	NA	NA
+MetaCyc00715	(+)-ureidoglycolate [(+) ureidoglycollate;]	C3H6N2O4	134.032757	NA	metacyc	NA	NA
+MetaCyc00716	(S)-ureidoglycolate [(-)-ureidoglycolate;ureidoglycolate;]	C3H6N2O4	134.032757	2017665	metacyc	NA	NA
+MetaCyc00717	carbamoyl oxamate []	C3H6N2O4	134.032757	NA	metacyc	NA	NA
+HMDB01005	(S)-Ureidoglycolic acid	C3H6N2O4	134.03276	http://www.hmdb.ca/metabolites/HMDB01005	HMDB	NA	NA
+HMDB01005	(S)-Ureidoglycolic acid	C3H6N2O4	134.03276	HMDB01005	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01005	(S)-Ureidoglycolic acid	C3H6N2O4	134.032761	NA	HMDB2010	NA	NA
+C00603	(-)-Ureidoglycolate	C3H6N2O4	134.0328	NA	KEGG	NA	NA
+C02766	(+)-Ureidoglycolate	C3H6N2O4	134.0328	NA	KEGG	NA	NA
+C02768	(Glycerophosphate)n	C3H9O6P	134.0328	NA	KEGG	NA	NA
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR255	Norepinephrine F3	NA	134.034075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR255	Norepinephrine F3	NA	134.034075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR255	Norepinephrine F3	NA	134.034075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR255	Norepinephrine F3	NA	134.034075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR255	Norepinephrine F3	F3	134.034075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH218	Chlorogenic acid [163-CO]+	NA	134.0362	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH218	Chlorogenic acid [163-CO]+	NA	134.0362	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH218	Chlorogenic acid [163-CO]+	NA	134.0362	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH218	Chlorogenic acid [163-CO]+	NA	134.0362	11.5	Inhousejuil11	NA	NA
+JH100	Caffeic acid [M+H-HCOOH]+	NA	134.03625	12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH100	Caffeic acid [M+H-HCOOH]+	NA	134.03625	12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH100	Caffeic acid [M+H-HCOOH]+	NA	134.03625	12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH100	Caffeic acid [M+H-HCOOH]+	NA	134.03625	12.21	Inhousejuil11	NA	NA
+MJ001384	5-Benzofuranol 	C8H6O2	134.036779	NA	MeJP	NA	NA
+MJ001385	6-Octene-2,4-diynoic acid 	C8H6O2	134.036779	NA	MeJP	NA	NA
+MetaCyc00718	phenylglyoxal [benzoylcarboxaldehyde;benzoylformaldehyde;phenylethanedione;&alpha;-oxobenzeneacetaldehyde;benzeneacetaldehyde, &alpha;-oxo-, monohydrate;glyoxal, phenyl-;]	C8H6O2	134.036779	NA	metacyc	NA	NA
+MJ001386	3-(Methylthio)propanoic acid; Me ester 	C5H10O2S	134.04015	NA	MeJP	NA	NA
+MJ001387	(2-Carboxyethyl)dimethylsulfonium(1+) 	C5H11O2S(+)	134.04015	NA	MeJP	NA	NA
+C04022	S,S-Dimethyl-beta-propiothetin	C5H10O2S	134.0402	NA	KEGG	NA	NA
+CJneg0097	Aspartic acid [(M-H)]- (13C)	C313CH6NO4	134.041425	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0097	Aspartic acid [(M-H)]- (13C)	C313CH6NO4	134.041425	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc00719	adenine-ring []	C5H4N5	134.04667	NA	metacyc	NA	NA
+CJpos0236	Nicotinuric acid isomer [(M+H)-(HCOOH)]+	C7H7N2O	134.047475	C18rt(min)=5.31 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0236	Nicotinuric acid isomer [(M+H)-(HCOOH)]+	C7H7N2O	134.047475	C18rt(min)=5.31 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+7684	ACE inhibitor from garlic	SY	134.0475	MH2+	Inhouse_peptide	NA	peptide
+MJ001388	4-Hydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, nitrile 	C7H6N2O	134.048012	NA	MeJP	NA	NA
+MJ001389	4-Hydroxy-3-pyridinecarboxylic acid; OH-form, Me ether, nitrile 	C7H6N2O	134.048012	NA	MeJP	NA	NA
+MJ001390	6-Hydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, nitrile 	C7H6N2O	134.048012	NA	MeJP	NA	NA
+MJ001391	Ricinidine 	C7H6N2O	134.048012	NA	MeJP	NA	NA
+CJpos0237	Deoxyribose [(M+H)]+	C5H11O4	134.057375	C18rt(min)=0.97 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0237	Deoxyribose [(M+H)]+	C5H11O4	134.057375	C18rt(min)=0.97 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01801	Deoxyribose	C5H10O4	134.0579	NA	KEGG	NA	NA
+C02783	2-Deoxy-L-arabinose	C5H10O4	134.0579	NA	KEGG	NA	NA
+C04039	2,3-Dihydroxy-3-methylbutanoate	C5H10O4	134.0579	NA	KEGG	NA	NA
+C04272	(R)-2,3-Dihydroxy-3-methylbutanoate	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06257	1-Deoxy-D-xylulose	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06258	Globin	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06259	Ferrocytochrome b	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06260	Ferricytochrome b	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06262	Phosphorus	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06263	Silicon	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06264	Aluminium	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06265	Carbon	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06266	Boron	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06267	Vanadium	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06268	Chromium	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06269	Arsenic	C5H10O4	134.0579	NA	KEGG	NA	NA
+C06272	Gal-beta1->3GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer	C45H79N2O23R	134.0579	NA	KEGG	NA	NA
+C06273	Gal-beta1->4GalNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer	C45H79N2O23R	134.0579	NA	KEGG	NA	NA
+C06297	NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer	C53H90N3O31R	134.0579	NA	KEGG	NA	NA
+C06299	NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer	C64H107N4O37R	134.0579	NA	KEGG	NA	NA
+C06300	NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer	C64H107N4O40R	134.0579	NA	KEGG	NA	NA
+C06302	GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer	C61H103N4O36R	134.0579	NA	KEGG	NA	NA
+C08347	2-Deoxy-alpha-D-ribopyranose	C5H10O4	134.0579	NA	KEGG	NA	NA
+HMDB00421	2,3-Dihydroxyvaleric acid	C5H10O4	134.057907	NA	HMDB2010	NA	NA
+HMDB01292	1-Deoxy-D-xylulose	C5H10O4	134.057907	NA	HMDB2010	NA	NA
+HMDB03224	Deoxyribose	C5H10O4	134.057907	NA	HMDB2010	NA	NA
+HMDB12141	(R)-2,3-Dihydroxy-isovalerate	C5H10O4	134.057907	NA	HMDB2010	NA	NA
+MJ001392	(R)-2,3-Dihydroxy-3-methylbutanoate 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001393	2,3-Dihydroxy-3-methylbutanoate 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001394	Deoxyribose 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001395	2,3-Dihydroxy-2-methylbutanoic acid 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001396	2,3-Dihydroxy-3-methylbutanoic acid 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001397	2-Deoxy-erythro-pentose 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001398	3,4,5-Trihydroxy-2-pentanone 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001399	3-Deoxy-erythro-pentose 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MJ001400	4-Deoxy-erythro-pentose 	C5H10O4	134.057908	NA	MeJP	NA	NA
+MetaCyc00720	2,3-dihydroxy-isovalerate [2,3-dihydroxy-3-methylbutanoate;(R)-2,3-dihydroxy-3-methylbutanoate;&alpha;,&beta;-dihydroxy-isovalerate;]	C5H10O4	134.057909	NA	metacyc	NA	NA
+MetaCyc00721	nt-pentose-ring []	C5H10O4	134.057909	NA	metacyc	NA	NA
+MetaCyc00722	deoxyribose [2'-deoxyribose;2-deoxyribose;2-deoxy-D-ribose;]	C5H10O4	134.057909	533-67-5	metacyc	NA	NA
+MetaCyc00723	1-deoxy-D-xylulose [1-deoxy-xylulose;]	C5H10O4	134.057909	NA	metacyc	NA	NA
+HMDB00421	2,3-Dihydroxyvaleric acid	C5H10O4	134.05791	http://www.hmdb.ca/metabolites/HMDB00421	HMDB	NA	NA
+HMDB01292	1-deoxy-D-xylulose	C5H10O4	134.05791	http://www.hmdb.ca/metabolites/HMDB01292	HMDB	NA	NA
+HMDB03224	Deoxyribose	C5H10O4	134.05791	http://www.hmdb.ca/metabolites/HMDB03224	HMDB	NA	NA
+HMDB00421	2,3-Dihydroxyvaleric acid	C5H10O4	134.05791	HMDB00421	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01292	1-deoxy-D-xylulose	C5H10O4	134.05791	HMDB01292	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03224	Deoxyribose	C5H10O4	134.05791	HMDB03224	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0098	5-Methylthioribose [(M-H)-(CH2S)]-	C5H9O4S0	134.058425	C18rt(min)=1.09 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0098	5-Methylthioribose [(M-H)-(CH2S)]-	C5H9O4S0	134.058425	C18rt(min)=1.09 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C05649	Dihydropteridine	C6H6N4	134.0592	NA	KEGG	NA	NA
+MetaCyc00724	6,7-dihydropteridine [dihydropteridine;]	C6H6N4	134.059246	NA	metacyc	NA	NA
+MetaCyc00725	3-deazaadenine []	C6H6N4	134.059246	NA	metacyc	NA	NA
+HMDB01441	Dihydropteridine	C6H6N4	134.05925	http://www.hmdb.ca/metabolites/HMDB01441	HMDB	NA	NA
+HMDB01441	Dihydropteridine	C6H6N4	134.05925	HMDB01441	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01441	Dihydropteridine	C6H6N4	134.05925	NA	HMDB2010	NA	NA
+C08270	L-Canaline	C4H10N2O3	134.0691	NA	KEGG	NA	NA
+HMDB12251	L-Canaline	C4H10N2O3	134.069138	NA	HMDB2010	NA	NA
+MJ001401	2-Amino-4-(aminooxy)butanoic acid 	C4H10N2O3	134.069142	NA	MeJP	NA	NA
+MetaCyc00726	L-canaline [L-a-amino-g-(aminooxy)-n-butyric acid;L-2-amino-4-(aminooxy)butyric acid;L-2-amino-4-(aminooxy)butyrate;]	C4H10N2O3	134.069142	496-93-5	metacyc	NA	NA
+3305	NA	LH	134.071	MH2+	Inhouse_peptide	NA	peptide
+3317	NA	HL	134.071	MH2+	Inhouse_peptide	NA	peptide
+7602	ACE inhibitor	HL	134.071	MH2+	Inhouse_peptide	NA	peptide
+MJ001402	3-Nonene-5,7-diyn-1-ol 	C9H10O	134.073164	NA	MeJP	NA	NA
+MJ001403	3-Phenyl-2-propen-1-ol 	C9H10O	134.073164	NA	MeJP	NA	NA
+MJ001404	3-Phenylpropanal 	C9H10O	134.073164	NA	MeJP	NA	NA
+MJ001405	4-(2-Propenyl)phenol 	C9H10O	134.073164	NA	MeJP	NA	NA
+MJ001406	4-Nonene-6,8-diyn-1-ol 	C9H10O	134.073164	NA	MeJP	NA	NA
+MJ001407	7-Nonene-3,5-diyn-1-ol 	C9H10O	134.073164	NA	MeJP	NA	NA
+MetaCyc00727	chavicol []	C9H10O1	134.073165	NA	metacyc	NA	NA
+MetaCyc00728	cinnamyl alcohol [cinnamic alcohol;]	C9H10O1	134.073165	NA	metacyc	NA	NA
+MetaCyc00729	1-indanol []	C9H10O1	134.073165	10/06/6351	metacyc	NA	NA
+C01710	Indan-1-ol	C9H10O	134.0732	NA	KEGG	NA	NA
+C02394	Cinnamyl alcohol	C9H10O	134.0732	NA	KEGG	NA	NA
+C15512	Phenylacetone	C9H10O	134.0732	NA	KEGG	NA	NA
+C16930	Chavicol	C9H10O	134.0732	NA	KEGG	NA	NA
+MJ001408	2-[(3-Aminopropyl)amino]ethanethiol 	C5H14N2S	134.087769	NA	MeJP	NA	NA
+C07651	WR 1065	C5H14N2S	134.0878	NA	KEGG	NA	NA
+MJ001409	1,4,5-Hexanetriol 	C6H14O3	134.094294	NA	MeJP	NA	NA
+HMDB05805	P-cymene	C10H14	134.10954	http://www.hmdb.ca/metabolites/HMDB05805	HMDB	NA	NA
+HMDB05805	P-cymene	C10H14	134.10954	HMDB05805	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05805	p-Cymene	C10H14	134.109543	NA	HMDB2010	NA	NA
+MJ001410	p-Cymene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001411	1-Isopropyl-2-methylbenzene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001412	1-Isopropyl-3-methylbenzene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001413	1-Isopropyl-4-methylbenzene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001414	1-Methyl-2-propylbenzene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001415	2(10),3-Pinadiene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001416	2,6-Dimethyl-1,3,5,7-octatetraene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001417	6-(1-Propenyl)-1,4-cycloheptadiene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001418	o-Mentha-1(7),5,8-triene 	C10H14	134.10955	NA	MeJP	NA	NA
+MJ001419	p-Mentha-1,3,8-triene 	C10H14	134.10955	NA	MeJP	NA	NA
+MetaCyc00730	p-cymene [4-isopropyltoluene;p-isopropyltoluene;p-methyl cumene;4-methyl isopropylbenzene;methyl-4-(1-methylethyl)benzene;1-methyl-4-isopropylbenzene;dolcymene;cymol;]	C10H14	134.10955	99-87-6	metacyc	NA	NA
+C06575	p-Cymene	C10H14	134.1096	NA	KEGG	NA	NA
+C14142	sec-Butylbenzene	C10H14	134.1096	NA	KEGG	NA	NA
+C14534	1,2,4,5-Tetramethylbenzene	C10H14	134.1096	NA	KEGG	NA	NA
+C14583	1,4-Diethylbenzene	C10H14	134.1096	NA	KEGG	NA	NA
+C18150	n-Butylbenzene	C10H14	134.1096	NA	KEGG	NA	NA
+2756	peptide regulating the stomach mucosal membrane activity	PGP	134.5625	MH2+	Inhouse_peptide	NA	peptide
+3046	inhibitor of insulin secretion	PGP	134.5625	MH2+	Inhouse_peptide	NA	peptide
+3284	antithrombotic peptide	PGP	134.5625	MH2+	Inhouse_peptide	NA	peptide
+3459	Prolyl endopeptidase inhibitor	PGP	134.5625	MH2+	Inhouse_peptide	NA	peptide
+3464	Chemotactic peptide	PGP	134.5625	MH2+	Inhouse_peptide	NA	peptide
+7820	ACE inhibitor from wheat gliadin	GPP	134.5625	MH2+	Inhouse_peptide	NA	peptide
+MJ001420	(Glycinato-N,O)dihydroxyaluminium 	C2H6AlNO4	135.011221	NA	MeJP	NA	NA
+MJ001421	Benzothiazole 	C7H5NS	135.014269	NA	MeJP	NA	NA
+MJ001422	Phenyl isothiocyanate 	C7H5NS	135.014269	NA	MeJP	NA	NA
+PFEM046F1	Homocysteine	F1	135.0265	NA	Inhouse_original	NA	NA
+MJ001423	2-Benzoxazolol 	C7H5NO2	135.032028	NA	MeJP	NA	NA
+JH031	Homocysteine [M+H]+	C4H9NO2S	135.0325	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH031	Homocysteine [M+H]+	C4H9NO2S	135.0325	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH031	Homocysteine [M+H]+	C4H9NO2S	135.0325	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH031	Homocysteine [M+H]+	C4H9NO2S	135.0325	1.28	Inhousejuil11	NA	NA
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR285	Homocysteine F1	NA	135.033975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR285	Homocysteine F1	NA	135.033975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR285	Homocysteine F1	NA	135.033975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR285	Homocysteine F1	NA	135.033975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR285	Homocysteine 	C4H9NO2S	135.033975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ001424	Homocysteine 	C4H9NO2S	135.035399	NA	MeJP	NA	NA
+MJ001425	L-Homocysteine 	C4H9NO2S	135.035399	NA	MeJP	NA	NA
+MJ001426	2-Amino-3-mercaptobutanoic acid 	C4H9NO2S	135.035399	NA	MeJP	NA	NA
+MJ001427	2-Amino-4-mercaptobutanoic acid 	C4H9NO2S	135.035399	NA	MeJP	NA	NA
+MJ001428	Cysteine, Me ester 	C4H9NO2S	135.035399	NA	MeJP	NA	NA
+MJ001429	Cysteine, S-Me 	C4H9NO2S	135.035399	NA	MeJP	NA	NA
+MetaCyc00731	L-homocysteine [homo-cys;homocysteine;]	C4H9N1O2S1	135.035399	454-28-4	metacyc	NA	NA
+EUR026	Homocysteine	C4H9NO2S	135.0354	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00742	Homocysteine	C4H9NO2S	135.0354	http://www.hmdb.ca/metabolites/HMDB00742	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02108	Methylcysteine	C4H9NO2S	135.0354	http://www.hmdb.ca/metabolites/HMDB02108	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR026	Homocysteine	C4H9NO2S	135.0354	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR026	Homocysteine	C4H9NO2S	135.0354	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00742	Homocysteine	C4H9NO2S	135.0354	http://www.hmdb.ca/metabolites/HMDB00742	HMDB	NA	NA
+HMDB02108	Methylcysteine	C4H9NO2S	135.0354	http://www.hmdb.ca/metabolites/HMDB02108	HMDB	NA	NA
+EUR026	Homocysteine	C4H9NO2S	135.0354	Wishlist	Inhousejuil11	NA	NA
+C00155	L-Homocysteine	C4H9NO2S	135.0354	NA	KEGG	NA	NA
+C05330	Homocysteine	C4H9NO2S	135.0354	NA	KEGG	NA	NA
+HMDB00742	Homocysteine	C4H9NO2S	135.0354	http://www.hmdb.ca/metabolites/HMDB00742	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02108	Methylcysteine	C4H9NO2S	135.0354	http://www.hmdb.ca/metabolites/HMDB02108	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00742	Homocysteine	C4H9NO2S	135.0354	HMDB00742	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02108	Methylcysteine	C4H9NO2S	135.0354	HMDB02108	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00742	Homocysteine	C4H9NO2S	135.0354	NA  ;SYN:His-R; N(Tau)-ribosylhistidineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00742	Homocysteine	C4H9NO2S	135.0354	NA	HMDB2010	NA	NA
+HMDB02108	Methylcysteine	C4H9NO2S	135.0354	NA	HMDB2010	NA	NA
+CJpos0238	Creatinine (and isomer) [(M+Na)]+	C4H7N3NaO	135.040275	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0238	Creatinine (and isomer) [(M+Na)]+	C4H7N3NaO	135.040275	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	HMDB	NA	NA
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	Inhouse_PFEM	NA	NA
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC010	Homocysteine	C4H9NO2S	135.0418	RT0.7	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00732	S,S-dimethyl-&beta;-propiothetin [DMPT;DMSP;dimethylpropiothetin;S-dimethylsulfonium propionic acid;]	C5H11O2S1	135.047975	7314-30-9	metacyc	NA	NA
+MetaCyc00733	dimethylsulfoniopropionate [DMSP;dimethylpropiothetin;]	C5H11O2S1	135.047975	NA	metacyc	NA	NA
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR276	Adenosine monophosphate F3	NA	135.049975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR276	Adenosine monophosphate F3	NA	135.049975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR276	Adenosine monophosphate F3	NA	135.049975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR276	Adénosine monophosphate F3	F3	135.049975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR276	Adenosine monophosphate F3	NA	135.049975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR276	Adenosine monophosphate F3	F3	135.049975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR358	Flavine adenine dinucleotide F8	NA	135.050075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR358	Flavine adenine dinucleotide F8	NA	135.050075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR358	Flavine adenine dinucleotide F8	NA	135.050075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR358	Flavine adenine dinucléotide F8	F8	135.050075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR358	Flavine adenine dinucleotide F8	NA	135.050075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR358	Flavine adenine dinucleotide F8	F8	135.050075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR266	Nicotinamide adenine di nucleotide F6	NA	135.051475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR266	Nicotinamide adenine di nucleotide F6	NA	135.051475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR266	Nicotinamide adenine di nucleotide F6	NA	135.051475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR266	Nicotinamide adénine di nucléotide F6	F6	135.051475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR266	Nicotinamide adenine di nucleotide F6	NA	135.051475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR266	Nicotinamide adenine di nucleotide F6	F6	135.051475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	NA	135.051675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	NA	135.051675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	NA	135.051675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR314	Nicotinamide adénine di nucléotide phosphate F7	F7	135.051675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	NA	135.051675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR314	Nicotinamide adenine di nucleotide phosphate F7	F7	135.051675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ001430	2-Amino-3,4-dihydroxybutanoic acid 	C4H9NO4	135.053157	NA	MeJP	NA	NA
+MJ001431	2-Amino-3-hydroxy-2-(hydroxymethyl)propanoic acid 	C4H9NO4	135.053157	NA	MeJP	NA	NA
+MJ001432	4-Hydroxy-L-threonine 	C4H9NO4	135.053157	NA	MeJP	NA	NA
+MetaCyc00734	hydroxymethylserine [OH-CH3-ser;OH-CH3-serine;(hydroxymethyl)serine;]	C4H9N1O4	135.053158	NA	metacyc	NA	NA
+C03059	2-Hydroxymethylserine	C4H9NO4	135.0532	NA	KEGG	NA	NA
+C03061	2-Methylhomogentisate	C4H9NO4	135.0532	NA	KEGG	NA	NA
+C06056	4-Hydroxy-L-threonine	C4H9NO4	135.0532	NA	KEGG	NA	NA
+HMDB00034	Adenine	C5H5N5	135.054489	NA	HMDB2010	NA	NA
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR612	Adenine 	NA	135.054495	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR612	Adenine 	NA	135.054495	136.061695	Inhouse_sept12	NA	NA
+MJ001433	2-Aminoimidazo[4,5-d]pyridazine 	C5H5N5	135.054495	NA	MeJP	NA	NA
+MJ001434	Adenine 	C5H5N5	135.054495	NA	MeJP	NA	NA
+MetaCyc00735	adenine [2-aminopurine;]	C5H5N5	135.054495	73-24-5	metacyc	NA	NA
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR612	Adenine 	NA	135.054495	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00034	Adenine	C5H5N5	135.0545	http://www.hmdb.ca/metabolites/HMDB00034	PFEM_hmdb_metabocards_urine	NA	urine
+EUR612	Adenine 	[M+H]+	135.0545	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00034	Adenine	C5H5N5	135.0545	http://www.hmdb.ca/metabolites/HMDB00034	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR612	Adenine 	[M+H]+	135.0545	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00034	Adenine	C5H5N5	135.0545	http://www.hmdb.ca/metabolites/HMDB00034	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR612	Adenine 	[M+H]+	135.0545	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00034	Adenine	C5H5N5	135.0545	http://www.hmdb.ca/metabolites/HMDB00034	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00034	Adenine	C5H5N5	135.0545	http://www.hmdb.ca/metabolites/HMDB00034	HMDB	NA	NA
+EUR612	Adenine 	[M+H]+	135.0545	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00147	Adenine	C5H5N5	135.0545	NA	KEGG	NA	NA
+HMDB00034	Adenine	C5H5N5	135.0545	http://www.hmdb.ca/metabolites/HMDB00034	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00034	Adenine	C5H5N5	135.0545	HMDB00034	PFEM_hmdb_metabocards_official	NA	NA
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	HMDB	NA	NA
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	Inhouse_PFEM	NA	NA
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis025	Adenine	HMDB00034_RT1.93_add	135.0551	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+JH102	Tyrosine [M+H-HCOOH]+	NA	135.0607	1.65	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH102	Tyrosine [M+H-HCOOH]+	NA	135.0607	1.65	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH102	Tyrosine [M+H-HCOOH]+	NA	135.0607	1.65	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH102	Tyrosine [M+H-HCOOH]+	NA	135.0607	1.65	Inhousejuil11	NA	NA
+CJneg0099	5-Methylthioribose [(M-H)-(CH2S)]- (13C)	C413CH9O4S0	135.061825	C18rt(min)=1.09 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0099	5-Methylthioribose [(M-H)-(CH2S)]- (13C)	C413CH9O4S0	135.061825	C18rt(min)=1.09 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR421	Tyrosine F4	NA	135.063675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR421	Tyrosine F4	NA	135.063675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR421	Tyrosine F4	NA	135.063675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR421	Tyrosine F4	NA	135.063675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR421	Tyrosine F4	F4	135.063675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0239	Phenylacetylglutamine [(M+H)-(C5H7O3N)]+	C8H10NO	135.067875	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0239	Phenylacetylglutamine [(M+H)-(C5H7O3N)]+	C8H10NO	135.067875	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02505	2-Phenylacetamide	C8H9NO	135.0684	NA	KEGG	NA	NA
+C02506	21-Hydroxysteroid	C8H9NO	135.0684	NA	KEGG	NA	NA
+C07565	N-Phenylacetamide	C8H9NO	135.0684	NA	KEGG	NA	NA
+C15561	N-Benzylformamide	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16075	(Z)-Phenylacetaldehyde oxime	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16076	Urotensin I	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16077	Neurophysin I	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16078	Neurophysin II	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16079	Corticotropin-releasing hormone	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16080	Urocortin I	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16081	Urocortin II	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16082	Urocortin III	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16084	Gonadotropin-releasing hormone II	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16085	Growth hormone-releasing hormone (1-29)	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16086	Prolactin-releasing peptide-31	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16087	Prolactin-releasing peptide-20	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16088	Pituitary adenylate cyclase-activating peptide-38	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16089	Pituitary adenylate cyclase-activating peptide-27	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16090	Metastin	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16091	Kisspeptin-14	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16092	Kisspeptin-13	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16093	Kisspeptin-10	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16094	Substance P	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16095	Neuropeptide K	C8H9NO	135.0684	NA	KEGG	NA	NA
+C16096	Neuropeptide gamma	C8H9NO	135.0684	NA	KEGG	NA	NA
+HMDB01122	N-Methylformamide	C8H9NO	135.06841	http://www.hmdb.ca/metabolites/HMDB01122	HMDB	NA	NA
+HMDB01250	N-Acetylarylamine	C8H9NO	135.06841	http://www.hmdb.ca/metabolites/HMDB01250	HMDB	NA	NA
+HMDB01122	N-Methylformamide	C8H9NO	135.06841	HMDB01122	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01250	N-Acetylarylamine	C8H9NO	135.06841	HMDB01250	PFEM_hmdb_metabocards_official	NA	NA
+MJ001435	2-Phenylacetamide 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001436	2'-Aminoacetophenone 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001437	2,3-Dihydro-1H-indol-5-ol 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001438	2-Acetyl-4-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001439	2-Acetyl-6-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001440	2-Aminoacetophenone 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001441	3-Acetyl-2-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001442	3-Acetyl-4-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001443	4-Acetyl-2-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001444	4-Acetyl-3-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001445	5-Acetyl-2-methylpyridine 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001446	Aniline; N-Ac 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001447	Danaidal 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001448	Danaidone 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MJ001449	Phenylacetic acid; Amide 	C8H9NO	135.068413	NA	MeJP	NA	NA
+MetaCyc00736	N-acetylarylamine []	C8H9N1O1	135.068414	NA	metacyc	NA	NA
+MetaCyc00737	2-phenylacetamide [N-Phenylacetamide;2-Acetanilide;Acetanilide;]	C8H9N1O1	135.068414	103-84-4	metacyc	NA	NA
+MetaCyc00738	phenylacetaldoxime [(Z)-phenylacetaldehyde oxime;]	C8H9N1O1	135.068414	NA	metacyc	NA	NA
+HMDB01250	N-Acetylarylamine	C8H9NO	135.06842	NA	HMDB2010	NA	NA
+HMDB10715	2-Phenylacetamide	C8H9NO	135.06842	NA	HMDB2010	NA	NA
+CJneg0100	Hippuric acid [(M-H)-(CO2)]-	C8H8NO	135.068925	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0100	Hippuric acid [(M-H)-(CO2)]-	C8H8NO	135.068925	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB12128	(R)-Amphetamine	C9H13N	135.104797	NA	HMDB2010	NA	NA
+MJ001450	1-Phenyl-2-propylamine 	C9H13N	135.104799	NA	MeJP	NA	NA
+MJ001451	2-Phenylethylamine; N-Me 	C9H13N	135.104799	NA	MeJP	NA	NA
+MJ001452	3-Butylpyridine 	C9H13N	135.104799	NA	MeJP	NA	NA
+MetaCyc00739	(R)-amphetamine [L-amphetamine;levamphetamine;]	C9H13N1	135.104799	NA	metacyc	NA	NA
+MetaCyc00740	(S)-amphetamine [D-amphetamine;dextroamphetamine;]	C9H13N1	135.104799	NA	metacyc	NA	NA
+C07514	Amphetamine	C9H13N	135.1048	NA	KEGG	NA	NA
+C07884	Dextroamphetamine	C9H13N	135.1048	NA	KEGG	NA	NA
+C07885	Transferred to D00737	C9H13N	135.1048	NA	KEGG	NA	NA
+7545	ACE inhibitor	GPV	135.5705	MH2+	Inhouse_peptide	NA	peptide
+43	Skin gelatin	GPV	135.571	MH2+	Inhouse_peptide	NA	peptide
+3537	ACE inhibitor	PR	135.5765	MH2+	Inhouse_peptide	NA	peptide
+7582	ACE inhibitor	RP	135.5765	MH2+	Inhouse_peptide	NA	peptide
+MJ001453	Trichlorofluoromethane 	CCl3F	135.904961	NA	MeJP	NA	NA
+C13194	Calcium sulfate	SO4	135.9143	NA	KEGG	NA	NA
+C13195	Transferred to D01729	SO4	135.9143	NA	KEGG	NA	NA
+C13196	Transferred to D01730	SO4	135.9143	NA	KEGG	NA	NA
+MJ001454	Potassium hydrogen sulfate (KHSO4) 	HKO4S	135.923261	NA	MeJP	NA	NA
+MJ001455	1-Bromo-2-propanone 	C3H5BrO	135.952377	NA	MeJP	NA	NA
+MJ001456	Methyl 1-propenyl disulfide, 4-Oxide 	C4H8OS2	136.001656	NA	MeJP	NA	NA
+MJ001457	Methyl 1-propenyl disulfide, 5-Oxide 	C4H8OS2	136.001656	NA	MeJP	NA	NA
+MJ001458	Methyl 1-propenyl disulfide, 4-Oxide 	C4H8OS2	136.001656	NA	MeJP	NA	NA
+MJ001459	Methyl 1-propenyl disulfide, 5-Oxide 	C4H8OS2	136.001656	NA	MeJP	NA	NA
+MJ001460	Methyl 2-propenyl disulfide; 4-Oxide 	C4H8OS2	136.001656	NA	MeJP	NA	NA
+MJ001461	Methyl 2-propenyl disulfide; 5-Oxide 	C4H8OS2	136.001656	NA	MeJP	NA	NA
+C03804	S-Methyl-1-thio-D-glycerate	C4H8O3S	136.0194	NA	KEGG	NA	NA
+PFEM048F1	Hypoxanthine	F1	136.0251	NA	Inhouse_original	NA	NA
+MJ001462	Eniluracil 	C6H4N2O2	136.027277	NA	MeJP	NA	NA
+MJ001463	Tetrahydro-2H-1,2,4-thiadiazine; S,S-Dioxide 	C3H8N2O2S	136.030648	NA	MeJP	NA	NA
+JH034	Hypoxanthine [M+H]+	C5H4N4O	136.0309	1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH034	Hypoxanthine [M+H]+	C5H4N4O	136.0309	1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH034	Hypoxanthine [M+H]+	C5H4N4O	136.0309	1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH034	Hypoxanthine [M+H]+	C5H4N4O	136.0309	1.64	Inhousejuil11	NA	NA
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR316	Hypoxanthine F1	NA	136.035075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00613	Erythronic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00613	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00943	Threonic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00943	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00613	Erythronic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00613	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00613	Erythronic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00613	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00943	Threonic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00943	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00613	Erythronic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00613	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00943	Threonic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00943	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00613	Erythronic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00613	HMDB	NA	NA
+HMDB00943	Threonic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00943	HMDB	NA	NA
+HMDB00613	Erythronic acid	C4H8O5	136.03717	http://www.hmdb.ca/metabolites/HMDB00613	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00613	Erythronic acid	C4H8O5	136.03717	HMDB00613	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00943	Threonic acid	C4H8O5	136.03717	HMDB00943	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00613	Erythronic acid	C4H8O5	136.03717	NA	HMDB2010	NA	NA
+HMDB00943	Threonic acid	C4H8O5	136.03717	NA	HMDB2010	NA	NA
+MJ001464	L-Threonate 	C4H8O5	136.037173	NA	MeJP	NA	NA
+MetaCyc00741	L-threonate [threonate;]	C4H8O5	136.037173	7306-96-9	metacyc	NA	NA
+C01620	Threonate	C4H8O5	136.0372	NA	KEGG	NA	NA
+CJneg0101	Threonic acid / Erythronic acid [(M-H)]-	C4H7O5	136.037725	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0102	Gluconic acid (and isomers) [(M-H)-(C2H4O2)]-	C4H7O5	136.037725	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0101	Threonic acid / Erythronic acid [(M-H)]-	C4H7O5	136.037725	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0102	Gluconic acid (and isomers) [(M-H)-(C2H4O2)]-	C4H7O5	136.037725	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0240	Hypoxanthine [(M+H)]+	C5H5N4O	136.037975	C18rt(min)=1.3 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0241	Hypoxanthine isomer [(M+H)]+	C5H5N4O	136.037975	C18rt(min)=4.58 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0240	Hypoxanthine [(M+H)]+	C5H5N4O	136.037975	C18rt(min)=1.3 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0241	Hypoxanthine isomer [(M+H)]+	C5H5N4O	136.037975	C18rt(min)=4.58 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001465	Ethyl isopropyl disulfide 	C5H12S2	136.038041	NA	MeJP	NA	NA
+MJ001466	Ethyl propyl disulfide 	C5H12S2	136.038041	NA	MeJP	NA	NA
+EUR066	Hypoxanthine	C5H4N4O	136.0385	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR066	Hypoxanthine	C5H4N4O	136.0385	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR066	Hypoxanthine	C5H4N4O	136.0385	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR066	Hypoxanthine	C5H4N4O	136.0385	Wishlist	Inhousejuil11	NA	NA
+C00262	Hypoxanthine	C5H4N4O	136.0385	NA	KEGG	NA	NA
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	http://www.hmdb.ca/metabolites/HMDB00157	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	http://www.hmdb.ca/metabolites/HMDB00157	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	http://www.hmdb.ca/metabolites/HMDB00157	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	http://www.hmdb.ca/metabolites/HMDB00157	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	http://www.hmdb.ca/metabolites/HMDB00157	HMDB	NA	NA
+MJ001467	1H-Pyrazolo[3,4-d]pyrimidin-4-ol 	C5H4N4O	136.03851	NA	MeJP	NA	NA
+MJ001468	6-Purinol 	C5H4N4O	136.03851	NA	MeJP	NA	NA
+MJ001469	Hypoxanthine 	C5H4N4O	136.03851	NA	MeJP	NA	NA
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	http://www.hmdb.ca/metabolites/HMDB00157	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00157	Hypoxanthine	C5H4N4O	136.03851	HMDB00157	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00742	hypoxanthine []	C5H4N4O1	136.038511	68-94-0	metacyc	NA	NA
+HMDB00157	Hypoxanthine	C5H4N4O	136.038513	NA	HMDB2010	NA	NA
+CJpos0242	Creatinine (and isomer) [(M+Na)]+ (13C)	C313CH7N3NaO	136.043675	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0242	Creatinine (and isomer) [(M+Na)]+ (13C)	C313CH7N3NaO	136.043675	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001470	7-Amino-1H-1,2,3-triazolo[4,5-d]pyrimidine 	C4H4N6	136.049744	NA	MeJP	NA	NA
+JH129	Hydroferulic acid [M+H-HCOOH-CH2]+	NA	136.0506	12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH129	Hydroferulic acid [M+H-HCOOH-CH2]+	NA	136.0506	12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH129	Hydroferulic acid [M+H-HCOOH-CH2]+	NA	136.0506	12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH129	Hydroferulic acid [M+H-HCOOH-CH2]+	NA	136.0506	12.75	Inhousejuil11	NA	NA
+JH106	Homovanillic acid [M+H-HCOOH]+	NA	136.0519	11.27	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH106	Homovanillic acid [M+H-HCOOH]+	NA	136.0519	11.27	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH106	Homovanillic acid [M+H-HCOOH]+	NA	136.0519	11.27	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH106	Homovanillic acid [M+H-HCOOH]+	NA	136.0519	11.27	Inhousejuil11	NA	NA
+EUR613	Phenylacetic acid 	[M-H]-	136.0524	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR613	Phenylacetic acid 	[M-H]-	136.0524	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR613	Phenylacetic acid 	[M-H]-	136.0524	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR613	Phenylacetic acid 	[M-H]-	136.0524	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00548	Phenyl acetate	C8H8O2	136.0524	NA	KEGG	NA	NA
+C00549	RNA (poly(U))	C18H23N4O14P	136.0524	NA	KEGG	NA	NA
+C00550	Sphingomyelin	C24H49N2O6PR	136.0524	NA	KEGG	NA	NA
+C00551	beta-D-Glucan	C12H22O11	136.0524	NA	KEGG	NA	NA
+C01454	Toluate	C8H8O2	136.0524	NA	KEGG	NA	NA
+C03765	4-Hydroxyphenylacetaldehyde	C8H8O2	136.0524	NA	KEGG	NA	NA
+C05613	Benzylformate	C8H8O2	136.0524	NA	KEGG	NA	NA
+C05615	Lignin	C8H8O2	136.0524	NA	KEGG	NA	NA
+C06224	3,4-Dihydroxystyrene	C8H8O2	136.0524	NA	KEGG	NA	NA
+C06227	Fe(III)hydroxamate	C3H6FeN3O6R3	136.0524	NA	KEGG	NA	NA
+C07085	3-Vinylcatechol	C8H8O2	136.0524	NA	KEGG	NA	NA
+C07086	Phenylacetic acid	C8H8O2	136.0524	NA	KEGG	NA	NA
+C07189	2-Hydroxyacetophenone	C8H8O2	136.0524	NA	KEGG	NA	NA
+C07190	Transferred to D00401	C8H8O2	136.0524	NA	KEGG	NA	NA
+C07191	Transferred to D00402	C8H8O2	136.0524	NA	KEGG	NA	NA
+C07211	m-Methylbenzoate	C8H8O2	136.0524	NA	KEGG	NA	NA
+C07215	o-Toluate	C8H8O2	136.0524	NA	KEGG	NA	NA
+C10700	4'-Hydroxyacetophenone	C8H8O2	136.0524	NA	KEGG	NA	NA
+C10761	p-Anisaldehyde	C8H8O2	136.0524	NA	KEGG	NA	NA
+C14087	3-Methylsalicylaldehyde	C8H8O2	136.0524	NA	KEGG	NA	NA
+C15583	Phenyl acetate	C8H8O2	136.0524	NA	KEGG	NA	NA
+HMDB00209	Phenylacetic acid	C8H8O2	136.052429	NA	HMDB2010	NA	NA
+MJ001471	3,4-Dihydroxystyrene 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001472	2'-Hydroxyacetophenone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001473	2,3-Dimethyl-1,4-benzoquinone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001474	2,5-Dimethyl-1,4-benzoquinone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001475	2-Ethyl-1,4-benzoquinone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001476	2-Hydroxy-6-methylbenzaldehyde 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001477	2-Hydroxyacetophenone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001478	3'-Hydroxyacetophenone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001479	3-(3-Furanyl)-2-methyl-2-propenal 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001480	3-Vinylcatechol 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001481	4'-Hydroxyacetophenone 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001482	4-Hydroxyphenylacetaldehyde 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001483	4-Methoxybenzaldehyde 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001484	4-Methylbenzoic acid 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001485	4-Vinyl-1,2-benzenediol 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001486	4-Vinyl-1,3-benzenediol 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001487	6-(1-Propenyl)-2H-pyran-2-one 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001488	Benzoic acid; Me ester 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001489	Benzylformate 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001490	Phenylacetic acid 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001491	Toluate 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001492	m-Methylbenzoate 	C8H8O2	136.052429	NA	MeJP	NA	NA
+MJ001493	o-Toluate 	C8H8O2	136.052429	NA	MeJP	NA	NA
+HMDB00209	Benzeneacetic acid	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB00209	PFEM_hmdb_metabocards_urine	NA	urine
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01326	Phenyl acetate	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB01326	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00209	Benzeneacetic acid	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB00209	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00209	Benzeneacetic acid	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB00209	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00209	Benzeneacetic acid	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB00209	HMDB	NA	NA
+HMDB01326	Phenyl acetate	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB01326	HMDB	NA	NA
+HMDB02340	2-Methylbenzoic acid	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB02340	HMDB	NA	NA
+EUR613	Phenylacetic acid 	NA	136.05243	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+MetaCyc00743	phenylacetate [Phenylacetic acid;]	C8H8O2	136.05243	CAS: 103-82-2	metacyc	NA	NA
+MetaCyc00744	(4-hydroxyphenyl)acetaldehyde []	C8H8O2	136.05243	60-11-7	metacyc	NA	NA
+MetaCyc00745	methylbenzoate []	C8H8O2	136.05243	NA	metacyc	NA	NA
+MetaCyc00746	benzylformate []	C8H8O2	136.05243	104-57-4	metacyc	NA	NA
+MetaCyc00747	4-toluenecarboxylate [p-toluate;]	C8H8O2	136.05243	NA	metacyc	NA	NA
+HMDB01326	Phenyl acetate	C8H8O2	136.05243	http://www.hmdb.ca/metabolites/HMDB01326	PFEM_hmdb_metabocards_blood	NA	blood
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR613	Phenylacetic acid 	NA	136.05243	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00209	Benzeneacetic acid	C8H8O2	136.05243	HMDB00209	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01326	Phenyl acetate	C8H8O2	136.05243	HMDB01326	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02340	2-Methylbenzoic acid	C8H8O2	136.05243	HMDB02340	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0243	1-methylnicotinamide 2-Methylnicotinamide [(M)]+	C7H9N2O	136.063075	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0243	1-methylnicotinamide § 2-Methylnicotinamide [(M)]+	C7H9N2O	136.063075	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03152	N-Methylnicotinamide	C7H8N2O	136.06366	http://www.hmdb.ca/metabolites/HMDB03152	HMDB	NA	NA
+HMDB03152	N-Methylnicotinamide	C7H8N2O	136.06366	HMDB03152	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03152	N-Methylnicotinamide	C7H8N2O	136.06366	NA	HMDB2010	NA	NA
+MJ001494	3-(1H-Pyrrol-3-yl)-2-propenoic acid, Amide 	C7H8N2O	136.063662	NA	MeJP	NA	NA
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	HMDB	NA	NA
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	Inhouse_PFEM	NA	NA
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR049	N'-methylnicotinamide	C7H8N2O	136.063663	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR049	N'-methylnicotinamide	C7H8N2O	136.0637	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR049	N'-methylnicotinamide	C7H8N2O	136.0637	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR049	N'-methylnicotinamide	C7H8N2O	136.0637	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR049	N'-methylnicotinamide	C7H8N2O	136.0637	Wishlist	Inhousejuil11	NA	NA
+CJneg0103	Hippuric acid [(M-H)-(CO2)]- (13C)	C713CH8NO	136.072325	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0103	Hippuric acid [(M-H)-(CO2)]- (13C)	C713CH8NO	136.072325	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ001495	1,2,3,5-Pentanetetrol 	C5H12O4	136.073558	NA	MeJP	NA	NA
+MJ001496	1,2,4,5-Pentanetetrol 	C5H12O4	136.073558	NA	MeJP	NA	NA
+MJ001497	1-Deoxyribitol 	C5H12O4	136.073558	NA	MeJP	NA	NA
+MJ001498	1-Deoxyxylitol 	C5H12O4	136.073558	NA	MeJP	NA	NA
+MJ001499	2-Methyl-1,2,3,4-butanetetrol 	C5H12O4	136.073558	NA	MeJP	NA	NA
+MJ001500	5-Deoxyarabinitol 	C5H12O4	136.073558	NA	MeJP	NA	NA
+MetaCyc00748	D-Apiitol []	C5H12O4	136.073559	NA	metacyc	NA	NA
+HMDB11659	2-Methylerythritol	C5H12O4	136.073563	NA	HMDB2010	NA	NA
+HMDB01216	Tetrahydropteridine	C6H8N4	136.07489	NA	HMDB2010	NA	NA
+MetaCyc00749	5,6,7,8-tetrahydropteridine [tetrahydropteridine;]	C6H8N4	136.074896	NA	metacyc	NA	NA
+C05650	Tetrahydropteridine	C6H8N4	136.0749	NA	KEGG	NA	NA
+HMDB01216	Tetrahydropteridine	C6H8N4	136.07491	http://www.hmdb.ca/metabolites/HMDB01216	HMDB	NA	NA
+HMDB01216	Tetrahydropteridine	C6H8N4	136.07491	HMDB01216	PFEM_hmdb_metabocards_official	NA	NA
+JH245	Oleuropein N/A	NA	136.0796	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH245	Oleuropein N/A	NA	136.0796	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH245	Oleuropein N/A	NA	136.0796	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH245	Oleuropein N/A	NA	136.0796	14.15	Inhousejuil11	NA	NA
+C14311	4-Propylphenol	C9H12O	136.0888	NA	KEGG	NA	NA
+MJ001501	1-(4-Methylphenyl)ethanol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001502	10-Nor-2-thujen-4-one 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001503	2-Ethyl-4-methylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001504	2-Ethyl-5-methylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001505	2-Phenylethanol; Me ether 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001506	3-Ethyl-4-methylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001507	3-Ethyl-5-methylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001508	3-Isopropylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001509	3-Phenyl-1-propanol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001510	4-Ethyl-2-methylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001511	4-Isopropylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+MJ001512	5-Ethyl-2-methylphenol 	C9H12O	136.088815	NA	MeJP	NA	NA
+C04203	N,N-Dimethyl-1,4-phenylenediamine	C8H12N2	136.1	NA	KEGG	NA	NA
+C07430	Phenelzine	C8H12N2	136.1	NA	KEGG	NA	NA
+C07431	Transferred to D00505	C8H12N2	136.1	NA	KEGG	NA	NA
+MJ001513	(1-Phenylethyl)hydrazine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001514	(2-Phenylethyl)hydrazine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001515	1,2-Diamino-4,5-dimethylbenzene 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001516	2-(2-Methylaminoethyl)pyridine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001517	3-Ethyl-2,5-dimethylpyrazine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001518	5-Ethyl-2,3-dimethylpyrazine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001519	Bongardine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MJ001520	Tetramethylpyrazine 	C8H12N2	136.100048	NA	MeJP	NA	NA
+MetaCyc00750	N,N-dimethyl-1,4-phenylenediamine []	C8H12N2	136.100048	NA	metacyc	NA	NA
+HMDB03375	D-Limonene	C10H16	136.125198	NA	HMDB2010	NA	NA
+HMDB04321	(+)-Limonene	C10H16	136.125198	NA	HMDB2010	NA	NA
+HMDB05806	Gamma-terpinene	C10H16	136.125198	NA	HMDB2010	NA	NA
+HMDB06525	(+)-a-Pinene	C10H16	136.125198	NA	HMDB2010	NA	NA
+HMDB03375	(-)-Limonene	C10H16	136.1252	http://www.hmdb.ca/metabolites/HMDB03375	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03375	(-)-Limonene	C10H16	136.1252	http://www.hmdb.ca/metabolites/HMDB03375	HMDB	NA	NA
+HMDB04321	(+)-Limonene	C10H16	136.1252	http://www.hmdb.ca/metabolites/HMDB04321	HMDB	NA	NA
+HMDB05806	gamma-terpinene	C10H16	136.1252	http://www.hmdb.ca/metabolites/HMDB05806	HMDB	NA	NA
+HMDB06525	(+)-alpha-Pinene	C10H16	136.1252	http://www.hmdb.ca/metabolites/HMDB06525	HMDB	NA	NA
+C00521	(-)-Limonene	C10H16	136.1252	NA	KEGG	NA	NA
+C06074	Myrcene	C10H16	136.1252	NA	KEGG	NA	NA
+C06075	Terpinolene	C10H16	136.1252	NA	KEGG	NA	NA
+C06076	Comphene	C10H16	136.1252	NA	KEGG	NA	NA
+C06077	Pinene	C10H16	136.1252	NA	KEGG	NA	NA
+C06078	Limonene	C10H16	136.1252	NA	KEGG	NA	NA
+C06099	(+)-Limonene	C10H16	136.1252	NA	KEGG	NA	NA
+C06304	(+)-Comphene	C10H16	136.1252	NA	KEGG	NA	NA
+C06305	(-)-Comphene	C10H16	136.1252	NA	KEGG	NA	NA
+C06306	(+)-alpha-Pinene	C10H16	136.1252	NA	KEGG	NA	NA
+C06307	(-)-beta-Pinene	C10H16	136.1252	NA	KEGG	NA	NA
+C06308	(-)-alpha-Pinene	C10H16	136.1252	NA	KEGG	NA	NA
+C09839	Car-3-ene	C10H16	136.1252	NA	KEGG	NA	NA
+C09873	beta-Ocimene	C10H16	136.1252	NA	KEGG	NA	NA
+C09875	(R)-(-)-alpha-Phellandrene	C10H16	136.1252	NA	KEGG	NA	NA
+C09877	(+)-beta-Phellandrene	C10H16	136.1252	NA	KEGG	NA	NA
+C09880	alpha-Pinene	C10H16	136.1252	NA	KEGG	NA	NA
+C09882	beta-Pinene	C10H16	136.1252	NA	KEGG	NA	NA
+C09898	alpha-Terpinene	C10H16	136.1252	NA	KEGG	NA	NA
+C09900	gamma-Terpinene	C10H16	136.1252	NA	KEGG	NA	NA
+C11382	(+)-3-Carene	C10H16	136.1252	NA	KEGG	NA	NA
+C11391	(S)-(+)-alpha-Phellandrene	C10H16	136.1252	NA	KEGG	NA	NA
+C11392	(-)-beta-Phellandrene	C10H16	136.1252	NA	KEGG	NA	NA
+C16777	Sabinene	C10H16	136.1252	NA	KEGG	NA	NA
+MJ001521	Myrcene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001522	Terpinolene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001523	1,1-Dimethyl-2-(3-methyl-1,3-butadienyl)cyclopropane 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001524	1,7,7-Trimethyltricyclo[2.2.1.02,6]heptane 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001525	2,2-Dimethyl-5-methylenebicyclo[2.2.1]heptane 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001526	2,5,5-Trimethylbicyclo[2.2.1]hept-2-ene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001527	2,5-Dimethyl-3-vinyl-1,4-hexadiene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001528	2,6-Dimethyl-1,4,7-octatriene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001529	2,6-Dimethyl-2,4,7-octatriene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001530	2-Carene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001531	2-Methyl-6-methylene-1,7-octadiene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001532	3,7-Dimethyl-1,3,6-octatriene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001533	3,7-Dimethyl-1,3,7-octatriene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001534	3-Carene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001535	3-Thujene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001536	4(10)-Thujene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001537	7,7-Dimethyl-2-methylenebicyclo[2.2.1]heptane 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001538	7-Methyl-3-methylene-1,6-octadiene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001539	?-Pinene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001540	Camphene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001541	Car-3(10)-ene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001542	Chamene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001543	Limonene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001544	Rothrockene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001545	m-Mentha-1(6),3(8)-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001546	m-Mentha-1,3(8)-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001547	m-Mentha-1,8-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001548	p-Mentha-1(7),2-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001549	p-Mentha-1(7),3-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001550	p-Mentha-1,3-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001551	p-Mentha-1,4(8)-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001552	p-Mentha-1,4-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001553	p-Mentha-1,5-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001554	p-Mentha-2,4(8)-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001555	p-Mentha-2,4-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001556	p-Mentha-3,8-diene 	C10H16	136.1252	NA	MeJP	NA	NA
+MJ001557	?-Pinene 	C10H16	136.1252	NA	MeJP	NA	NA
+HMDB03375	(-)-Limonene	C10H16	136.1252	http://www.hmdb.ca/metabolites/HMDB03375	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03375	(-)-Limonene	C10H16	136.1252	HMDB03375	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04321	(+)-Limonene	C10H16	136.1252	HMDB04321	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05806	gamma-terpinene	C10H16	136.1252	HMDB05806	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06525	(+)-alpha-Pinene	C10H16	136.1252	HMDB06525	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00751	pinene [&alpha;-pinene;]	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00752	&beta;-pinene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00753	(+)-(4R)-limonene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00754	&beta;-phellandrene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00755	(-)-camphene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00756	(Z)-&beta;-ocimene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00757	tricyclene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00758	2-carene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00759	(+)-(1S)-&alpha;-thujene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00760	(-)-(1S)-sabinene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00761	(-)-(1S,5S)-&alpha;-pinene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00762	(-)-(1S,5S)-&beta;-pinene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00763	terpinolene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00764	(E)-&beta;-ocimene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00765	myrcene []	C10H16	136.125201	NA	metacyc	NA	NA
+MetaCyc00766	limonene [(-)-(4S)-limonene;(-)-(S)-limonene;]	C10H16	136.125201	NA	metacyc	NA	NA
+HMDB00667	L-Thyronine	C15H15NO4	136.550049	MH2+	Inhouse_peptide	NA	peptide
+3539	ACE inhibitor from alpha-zein	LAA	136.579	MH2+	Inhouse_peptide	NA	peptide
+7628	ACE inhibitor from k-CN (fr, 67-68)	VR	136.5845	MH2+	Inhouse_peptide	NA	peptide
+HMDB11625	Dimethylarsinate	C2H6AsO2	136.958374	NA	HMDB2010	NA	NA
+MetaCyc00767	dimethylarsinate [cacodylate;DMAV;]	C2H6O2AS1	136.958376	NA	metacyc	NA	NA
+C16281	Thiobenzamide	C7H7NS	137.0299	NA	KEGG	NA	NA
+MetaCyc00768	1-mononitroglycerol [1-nitrate-1,2,3-propanetriol;glycerol 1-mononitrate;glyceryl 1-mononitrate;glycerol-1-nitrate;1-mononitroglycerin;]	C3H7N1O5	137.032422	624-43-1	metacyc	NA	NA
+MetaCyc00769	2-mononitroglycerol [2-nitrooxy-propane-1,3-diol;]	C3H7N1O5	137.032422	620-12-2	metacyc	NA	NA
+MJ001558	1,4-Dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one 	C4H3N5O	137.033759	NA	MeJP	NA	NA
+CJneg0104	Threonic acid / Erythronic acid [(M-H)]- (13C)	C313CH7O5	137.041125	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0104	Threonic acid / Erythronic acid [(M-H)]- (13C)	C313CH7O5	137.041125	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH003	Proline [M+Na]+	C5H9NO2	137.0439	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH003	Proline [M+Na]+	C5H9NO2	137.0439	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH003	Proline [M+Na]+	C5H9NO2	137.0439	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH003	Proline [M+Na]+	C5H9NO2	137.0439	1.28	Inhousejuil11	NA	NA
+CJpos0244	Trigonelline (and isomer) [(M+H)]+	C7H8NO2	137.047175	C18rt(min)=0.93 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0244	Trigonelline (and isomer) [(M+H)]+	C7H8NO2	137.047175	C18rt(min)=0.93 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	HMDB	NA	NA
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	Inhouse_PFEM	NA	NA
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	Inhousejuil11	NA	NA
+MJ001559	2-Aminobenzoic acid 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001560	2-Aminophenolyl 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001561	2-Carboxy1-methylpyridinium betaine 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001562	2-Hydroxybenzamide 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001563	2-Methyl-4-pyridinecarboxylic acid 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001564	3-(1H-Pyrrol-3-yl)-2-propenoic acid 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001565	3-Carboxy-1-methylpyridinium betaine 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001566	3-Pyridinecarboxylic acid; Me ester 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001567	4-Aminobenzoic acid 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001568	4-Aminobenzoate 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MJ001569	Anthranilate 	C7H7NO2	137.047678	NA	MeJP	NA	NA
+MetaCyc00770	salicylamide [2-hydroxybenzamide;]	C7H7N1O2	137.047678	65-45-2	metacyc	NA	NA
+MetaCyc00771	p-aminobenzoate [para-aminobenzoic acid;p-aminobenzoic acid;para-aminobenzoate;4-aminobenzoate;4-aminobenzoic acid;]	C7H7N1O2	137.047678	150-13-0	metacyc	NA	NA
+MetaCyc00772	methylnicotinate [1-methylnicotinate;N-methyl-nicotinate;trigonelline;]	C7H7N1O2	137.047678	NA	metacyc	NA	NA
+MetaCyc00773	4-nitrotoluene [4NT;]	C7H7N1O2	137.047678	NA	metacyc	NA	NA
+MetaCyc00774	anthranilate [anthranilic acid;2-aminobenzoic acid;vitamin L1;o-aminobenzoic acid;2-aminobenzoate;]	C7H7N1O2	137.047678	118-92-3	metacyc	NA	NA
+MetaCyc00775	3-pyridylacetate [3-pyridylacetic acid;3-pyridineacetic acid;2-(3-pyridyl)acetic acid;coletin;lessterol;lioxone;minedil;piridil;pyridine-3-acetic acid;toneon;]	C7H7N1O2	137.047678	NA	metacyc	NA	NA
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER023	Trigonelline	NA	137.047678	RT 2.4 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR614	Para-aminobenzoic acid 	NA	137.047679	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01123	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01392	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01123	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01392	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01538	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01123	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01392	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01123	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01392	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01123	HMDB	NA	NA
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01392	HMDB	NA	NA
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01538	HMDB	NA	NA
+HMDB01891	m-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01891	HMDB	NA	NA
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	NA  ;SYN:1,4-methyl-imidazoleacetic acid; 1,4-Methylimidazoleacetate; 1-Methyl-4-imidazoleacetate; 1-Methyl-4-imidazoleacetic acid; 1-Methylimidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetic acid; Methylimidazole acetate; Methylimidazoleacetate; Methylimidazoleacetic acid; N tau-methylimidazoleacetic acid; Tele-methylimidazoleacetate; Tele-methylimidazoleacetic acid; MIAAH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	137.04768	Aromatic/Heterocyclic glycine conjugates  ;SYN:N-(3-pyridinylcarbonyl)-(9CI)-glycine; N-(3-pyridinylcarbonyl)-glycine; N-(Pyridin-3-ylcarbonyl)glycine; N-Nicotinurate; N-Nicotinuric acid; N-Nicotinylglycine; N-nicotinoyl-(8CI)-Glycine; N-nicotinoyl-Glycine; Nicotinoyl-glycine; Nicotinoylglycine; Nicotinurate; NicotinylglycineH2Blood	Inhouse_peptide	NA	peptide
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01123	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01392	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	137.04768	http://www.hmdb.ca/metabolites/HMDB01538	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.04768	HMDB01123	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.04768	HMDB01392	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	137.04768	HMDB01538	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01891	m-Aminobenzoic acid	C7H7NO2	137.04768	HMDB01891	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00875	Trigonelline	C7H7NO2	137.047684	NA	HMDB2010	NA	NA
+HMDB01123	2-Aminobenzoic acid	C7H7NO2	137.047684	NA	HMDB2010	NA	NA
+HMDB01392	p-Aminobenzoic acid	C7H7NO2	137.047684	NA	HMDB2010	NA	NA
+HMDB01538	3-Pyridylacetic acid	C7H7NO2	137.047684	NA	HMDB2010	NA	NA
+HMDB01891	m-Aminobenzoic acid	C7H7NO2	137.047684	NA	HMDB2010	NA	NA
+EUR614	Para-aminobenzoic acid 	[M+H]+	137.0477	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR614	Para-aminobenzoic acid 	[M+H]+	137.0477	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR614	Para-aminobenzoic acid 	[M+H]+	137.0477	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR614	Para-aminobenzoic acid 	[M+H]+	137.0477	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00108	Anthranilate	C7H7NO2	137.0477	NA	KEGG	NA	NA
+C00568	4-Aminobenzoate	C7H7NO2	137.0477	NA	KEGG	NA	NA
+C00569	Arabinogalactan	C7H7NO2	137.0477	NA	KEGG	NA	NA
+C01004	N-Methylnicotinate	C7H7NO2	137.0477	NA	KEGG	NA	NA
+C14394	4-Nitrotoluene	C7H7NO2	137.0477	NA	KEGG	NA	NA
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	HMDB	NA	NA
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	Inhouse_PFEM	NA	NA
+MLBis011	Para-aminobenzoic acid	NA	137.0483	138.0555	Inhouse_sept12	NA	NA
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis011	Para-aminobenzoic acid	HMDB01392_RT5.09_add120,94	137.0483	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+C15533	4-Fluoro-L-threonine	C4H8FNO3	137.0488	NA	KEGG	NA	NA
+C15534	2-Arylethylamine	C2H6NR	137.0488	NA	KEGG	NA	NA
+C15535	N-Acetyl-2-arylethylamine	C4H8NOR	137.0488	NA	KEGG	NA	NA
+MJ001570	2-Amino-4-fluoro-3-hydroxybutanoic acid 	C4H8FNO3	137.048821	NA	MeJP	NA	NA
+C07054	Isoniazid	C6H7N3O	137.0589	NA	KEGG	NA	NA
+MJ001571	3-Pyridinecarboxylic acid; Hydrazide 	C6H7N3O	137.058911	NA	MeJP	NA	NA
+MJ001572	7,8-Dihydroimidazo[1,5-c]pyrimidin-5(6H)-one 	C6H7N3O	137.058911	NA	MeJP	NA	NA
+MJ001573	Isoniazid 	C6H7N3O	137.058911	NA	MeJP	NA	NA
+MetaCyc00776	isoniazide []	C6H7N3O1	137.058912	NA	metacyc	NA	NA
+MJ001574	(3-Aminopropyl)methylphosphinic acid 	C4H12NO2P	137.060565	NA	MeJP	NA	NA
+CJpos0245	1-methylnicotinamide 2-Methylnicotinamide [(M)]+ (13C)	C613CH9N2O	137.066475	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0245	1-methylnicotinamide § 2-Methylnicotinamide [(M)]+ (13C)	C613CH9N2O	137.066475	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.071487	NA	HMDB2010	NA	NA
+MJ001575	1-Methylnicotinamide 	C7H9N2O	137.071487	NA	MeJP	NA	NA
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	HMDB	NA	NA
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc00777	1-methylnicotinamide []	C7H9N2O1	137.071488	NA	metacyc	NA	NA
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR044	1-Methylnicotinamide	C7H9N2O	137.071488	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	http://www.hmdb.ca/metabolites/HMDB00699	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	http://www.hmdb.ca/metabolites/HMDB00699	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	http://www.hmdb.ca/metabolites/HMDB00699	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	http://www.hmdb.ca/metabolites/HMDB00699	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	http://www.hmdb.ca/metabolites/HMDB00699	HMDB	NA	NA
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	http://www.hmdb.ca/metabolites/HMDB00699	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00699	1-Methylnicotinamide	C7H9N2O	137.07149	HMDB00699	PFEM_hmdb_metabocards_official	NA	NA
+EUR044	1-Methylnicotinamide	C7H9N2O	137.0715	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR044	1-Methylnicotinamide	C7H9N2O	137.0715	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR044	1-Methylnicotinamide	C7H9N2O	137.0715	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR044	1-Methylnicotinamide	C7H9N2O	137.0715	Wishlist	Inhousejuil11	NA	NA
+C02918	1-Methylnicotinamide	C7H9N2O	137.0715	NA	KEGG	NA	NA
+C07400	Pralidoxime	C7H9N2O	137.0715	NA	KEGG	NA	NA
+7680	ACE inhibitor from pea vicilin	QK	137.076	MH2+	Inhouse_peptide	NA	peptide
+HMDB00306	Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB00306	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04989	m-Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB04989	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00306	Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB00306	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01065	Phenylethanolamine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB01065	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04989	m-Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB04989	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00306	Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB00306	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04989	m-Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB04989	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00306	Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB00306	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04989	m-Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB04989	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00306	Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB00306	HMDB	NA	NA
+HMDB01065	Phenylethanolamine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB01065	HMDB	NA	NA
+HMDB01466	nn-Dimethylaniline-n-oxide	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB01466	HMDB	NA	NA
+HMDB04989	m-Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB04989	HMDB	NA	NA
+HMDB00306	Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB00306	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01065	Phenylethanolamine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB01065	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04989	m-Tyramine	C8H11NO	137.08406	http://www.hmdb.ca/metabolites/HMDB04989	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00306	Tyramine	C8H11NO	137.08406	HMDB00306	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01065	Phenylethanolamine	C8H11NO	137.08406	HMDB01065	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01466	nn-Dimethylaniline-n-oxide	C8H11NO	137.08406	HMDB01466	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04989	m-Tyramine	C8H11NO	137.08406	HMDB04989	PFEM_hmdb_metabocards_official	NA	NA
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	PFEM_hmdb_metabocards_urine	NA	urine
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	HMDB	NA	NA
+HMDB00306	Tyramine	C8H11NO	137.084061	NA	HMDB2010	NA	NA
+HMDB01065	2-Hydroxyphenethylamine	C8H11NO	137.084061	NA	HMDB2010	NA	NA
+HMDB01466	Dimethylaniline-N-oxide	C8H11NO	137.084061	NA	HMDB2010	NA	NA
+HMDB04989	m-Tyramine	C8H11NO	137.084061	NA	HMDB2010	NA	NA
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	Inhouse_PFEM	NA	NA
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	Inhousejuil11	NA	NA
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	PFEM_hmdb_metabocards_blood	NA	blood
+LABER061	tyramine	NA	137.084061	RT 2.67 fragt 121.0646	PFEM_hmdb_metabocards_official	NA	NA
+MJ001576	2-(2-Methoxyethyl)pyridine 	C8H11NO	137.084063	NA	MeJP	NA	NA
+MJ001577	2-Amino-1-phenylethanol 	C8H11NO	137.084063	NA	MeJP	NA	NA
+MJ001578	2-Aminobenzyl alcohol; Me ether 	C8H11NO	137.084063	NA	MeJP	NA	NA
+MJ001579	3-(2-Aminoethyl)phenol 	C8H11NO	137.084063	NA	MeJP	NA	NA
+MJ001580	4-(2-Aminoethyl)phenol 	C8H11NO	137.084063	NA	MeJP	NA	NA
+MJ001581	5,6,7,7a-Tetrahydro-1H-indole-2(3H)-one 	C8H11NO	137.084063	NA	MeJP	NA	NA
+MJ001582	Tyramine 	C8H11NO	137.084064	NA	MeJP	NA	NA
+MetaCyc00778	tyramine [tyrosamine;4-(2-Aminoethyl)phenol;p-Hydroxyphenethylamine;2-(p-Hydroxyphenyl)ethylamine;]	C8H11N1O1	137.084064	51-67-2	metacyc	NA	NA
+MetaCyc00779	phenylethanolamine []	C8H11N1O1	137.084064	7568-93-6	metacyc	NA	NA
+MetaCyc00780	nn-dimethylaniline-n-oxide []	C8H11N1O1	137.084064	NA	metacyc	NA	NA
+C00483	Tyramine	C8H11NO	137.0841	NA	KEGG	NA	NA
+C00484	Arylamide	C7H6NOR	137.0841	NA	KEGG	NA	NA
+C01183	N,N-Dimethylaniline N-oxide	C8H11NO	137.0841	NA	KEGG	NA	NA
+C02735	Phenylethanolamine	C8H11NO	137.0841	NA	KEGG	NA	NA
+C02736	Phosphatidyl ester	C5H6O8PR3	137.0841	NA	KEGG	NA	NA
+C02737	Phosphatidylserine	C8H12NO10PR2	137.0841	NA	KEGG	NA	NA
+C03473	1-(p-Hydroxyphenyl)ethylamine	C8H11NO	137.0841	NA	KEGG	NA	NA
+C16570	4-Hydroxy-2,6-dimethylaniline	C8H11NO	137.0841	NA	KEGG	NA	NA
+3751	NA	KK	137.094	MH2+	Inhouse_peptide	NA	peptide
+MJ001583	4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine; N6-Me 	C7H11N3	137.095297	NA	MeJP	NA	NA
+C16400	2,4,6-Triaminotoluene	C7H11N3	137.0953	NA	KEGG	NA	NA
+4007	NA	WA	137.558	MH2+	Inhouse_peptide	NA	peptide
+7543	ACE inhibitor	AW	137.558	MH2+	Inhouse_peptide	NA	peptide
+7840	ACE inhibitor	EK	137.568	MH2+	Inhouse_peptide	NA	peptide
+7841	ACE inhibitor	KE	137.568	MH2+	Inhouse_peptide	NA	peptide
+HMDB03869	Epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	137.574066	MH2+	Inhouse_peptide	NA	peptide
+C13881	Ba2+	Ba	137.9052	NA	KEGG	NA	NA
+C13882	Transferred to D02152	Ba	137.9052	NA	KEGG	NA	NA
+HMDB04142	Barium	Ba	137.90524	http://www.hmdb.ca/metabolites/HMDB04142	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04142	Barium	Ba	137.90524	http://www.hmdb.ca/metabolites/HMDB04142	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04142	Barium	Ba	137.90524	http://www.hmdb.ca/metabolites/HMDB04142	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04142	Barium	Ba	137.90524	http://www.hmdb.ca/metabolites/HMDB04142	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04142	Barium	Ba	137.90524	http://www.hmdb.ca/metabolites/HMDB04142	HMDB	NA	NA
+HMDB04142	Barium	Ba	137.90524	http://www.hmdb.ca/metabolites/HMDB04142	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04142	Barium	Ba	137.90524	HMDB04142	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04142	Barium	[Ba]2+	137.905243	NA	HMDB2010	NA	NA
+MJ001584	Potassium carbonate (K2CO3) 	CK2O3	137.912157	NA	MeJP	NA	NA
+MetaCyc00781	methylarsonate [MMAV;]	C1H3O3AS1	137.929815	NA	metacyc	NA	NA
+MJ001585	1,2,3-Trithiane 	C3H6S3	137.963162	NA	MeJP	NA	NA
+MJ001586	1,2,4-Trithiane 	C3H6S3	137.963162	NA	MeJP	NA	NA
+C07308	Dimethylarsinate	C2H7AsO2	137.9662	NA	KEGG	NA	NA
+MJ001587	1,2-Dithiolan-4-ol; S1-Oxide (cis) 	C3H6O2S2	137.98092	NA	MeJP	NA	NA
+MJ001588	1,2-Dithiolan-4-ol; S1-Oxide (trans) 	C3H6O2S2	137.98092	NA	MeJP	NA	NA
+JH080	Aconitic acid (cis-) N/A	NA	137.9948	7.59	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH080	Aconitic acid (cis-) N/A	NA	137.9948	7.59	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH080	Aconitic acid (cis-) N/A	NA	137.9948	7.59	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH080	Aconitic acid (cis-) N/A	NA	137.9948	7.59	Inhousejuil11	NA	NA
+MJ001589	Phosphonomycin 	C3H7O4P	138.008195	NA	MeJP	NA	NA
+MJ001590	(3-Methyloxiranyl)phosphonic acid 	C3H7O4P	138.008195	NA	MeJP	NA	NA
+C06454	Fosfomycin	C3H7O4P	138.0082	NA	KEGG	NA	NA
+MJ001591	5-Diazo-2,4(1H,3H)-pyrimidinedione 	C4H2N4O2	138.017775	NA	MeJP	NA	NA
+C14480	5-Diazouracil	C4H2N4O2	138.0178	NA	KEGG	NA	NA
+JH202	Catechin (fragment2)	NA	138.0302	11.34	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH202	Catechin (fragment2)	NA	138.0302	11.34	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH202	Catechin (fragment2)	NA	138.0302	11.34	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH202	Catechin (fragment2)	NA	138.0302	11.34	Inhousejuil11	NA	NA
+HMDB00500	4-Hydroxybenzoic acid	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB00500	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00500	4-Hydroxybenzoic acid	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB00500	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00500	4-Hydroxybenzoic acid	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB00500	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00500	4-Hydroxybenzoic acid	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB00500	HMDB	NA	NA
+HMDB01895	Salicylic acid	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB01895	HMDB	NA	NA
+HMDB02466	3-Hydroxybenzoic acid	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB02466	HMDB	NA	NA
+HMDB04062	Gentisate aldehyde	C7H6O3	138.03169	http://www.hmdb.ca/metabolites/HMDB04062	HMDB	NA	NA
+HMDB00500	4-Hydroxybenzoic acid	C7H6O3	138.03169	HMDB00500	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01895	Salicylic acid	C7H6O3	138.03169	HMDB01895	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02466	3-Hydroxybenzoic acid	C7H6O3	138.03169	HMDB02466	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04062	Gentisate aldehyde	C7H6O3	138.03169	HMDB04062	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00500	4-Hydroxybenzoic acid	C7H6O3	138.031693	NA	HMDB2010	NA	NA
+HMDB01895	Salicylic acid	C7H6O3	138.031693	NA	HMDB2010	NA	NA
+HMDB02466	3-Hydroxybenzoic acid	C7H6O3	138.031693	NA	HMDB2010	NA	NA
+HMDB04062	Gentisate aldehyde	C7H6O3	138.031693	NA	HMDB2010	NA	NA
+MJ001592	1-(2-Furanyl)-1,2-propanedione 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001593	2,3-Dihydroxy-2,4,6-cycloheptatrien-1-one 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001594	2-Hydroxy-3-methyl-1,4-benzoquinone 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001595	2-Hydroxy-6-methyl-1,4-benzoquinone 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001596	2-Hydroxybenzoic acid 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001597	3,4-Dihydroxybenzaldehyde 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001598	3,4-Methylenedioxyphenol 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001599	3-Hydroxybenzoic acid 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001600	4-Hydroxybenzoic acid 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001601	Hydroxy-1,4-benzoquinone; Me ether 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001602	Hydroxymethyl-1,4-benzoquinone 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001603	3-Hydroxybenzoate 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001604	4-Hydroxybenzoate 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001605	Gentisate aldehyde 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MJ001606	Salicylate 	C7H6O3	138.031694	NA	MeJP	NA	NA
+MetaCyc00782	salicylate [salicylic acid;o-hydroxybenzoic acid;]	C7H6O3	138.031694	69-72-7	metacyc	NA	NA
+MetaCyc00783	3-hydroxybenzoate [3-hydroxybenzoic acid;m-hydroxybenzoate;]	C7H6O3	138.031694	NA	metacyc	NA	NA
+MetaCyc00784	protocatechualdehyde []	C7H6O3	138.031694	NA	metacyc	NA	NA
+MetaCyc00785	p-hydroxybenzoate [4-hydroxybenzoate;]	C7H6O3	138.031694	99-96-7	metacyc	NA	NA
+C00156	4-Hydroxybenzoate	C7H6O3	138.0317	NA	KEGG	NA	NA
+C00157	Phosphatidylcholine	C10H18NO8PR2	138.0317	NA	KEGG	NA	NA
+C00587	3-Hydroxybenzoate	C7H6O3	138.0317	NA	KEGG	NA	NA
+C00805	Salicylate	C7H6O3	138.0317	NA	KEGG	NA	NA
+C05585	Gentisate aldehyde	C7H6O3	138.0317	NA	KEGG	NA	NA
+C10832	Sesamol	C7H6O3	138.0317	NA	KEGG	NA	NA
+C16700	3,4-Dihydroxybenzaldehyde	C7H6O3	138.0317	NA	KEGG	NA	NA
+CJneg0105	4-hydroxybenzoic acid [(M-H)]-	C7H5O3	138.032225	C18rt(min)=5.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0106	Salicylic acid (2-hydroxybenzoic acid) [(M-H)]-	C7H5O3	138.032225	C18rt(min)=7.51 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0107	Sulfosalicylic acid isomer [(M-H)-(SO3)]-	C7H5O3S0	138.032225	C18rt(min)=4.8 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0105	4-hydroxybenzoic acid [(M-H)]-	C7H5O3	138.032225	C18rt(min)=5.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0106	Salicylic acid (2-hydroxybenzoic acid) [(M-H)]-	C7H5O3	138.032225	C18rt(min)=7.51 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0107	Sulfosalicylic acid isomer [(M-H)-(SO3)]-	C7H5O3S0	138.032225	C18rt(min)=4.8 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	PFEM_hmdb_metabocards_urine	NA	urine
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	11.43	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	11.43	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	11.43	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	HMDB	NA	NA
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	Inhouse_PFEM	NA	NA
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	11.43	Inhousejuil11	NA	NA
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	PFEM_hmdb_metabocards_blood	NA	blood
+JH035	Hydroxybenzoic acid (p-) [M+H]+	C7H6O3	138.0328	Rtobs11.43	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00786	1-butanesulfonate [1-butanesulfonic acid;1-butane sulfonic acid;butane-1-sulfonic acid;butanesulfonate;n-butyl-1-sulfonate;]	C4H10O3S1	138.035065	NA	metacyc	NA	NA
+8329	Stimulating vasoactive substance release	EE	138.042	MH2+	Inhouse_peptide	NA	peptide
+CJpos0246	Aminonicotinic acid isomers [(M+H)]+	C6H7N2O2	138.042375	C18rt(min)=1.06 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0246	Aminonicotinic acid isomers [(M+H)]+	C6H7N2O2	138.042375	C18rt(min)=1.06 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00785	Urocanate	C6H6N2O2	138.0429	NA	KEGG	NA	NA
+C02126	4-Nitroaniline	C6H6N2O2	138.0429	NA	KEGG	NA	NA
+C02128	5'-Phospho-DNA	C10H18O11P2R2	138.0429	NA	KEGG	NA	NA
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB00301	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB00301	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02730	Nicotinamide N-oxide	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB02730	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB00301	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB00301	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB00301	HMDB	NA	NA
+HMDB02241	cis-Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB02241	HMDB	NA	NA
+HMDB02730	Nicotinamide N-oxide	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB02730	HMDB	NA	NA
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	NA  ;SYN:2-(3-Pyridyl)acetate; 2-(3-Pyridyl)acetic acid; 2-(Pyridin-3-yl)acetate; 2-(Pyridin-3-yl)acetic acid; 3-Carboxymethylpyridine; 3-Pyridylacetate; 3-Pyridylacetic acid; Coletin; Lessterol; Lioxone; Minedil; Piridil; Piristerol; Pyridin-3-ylacetate; Pyridin-3-ylacetic acid; Toneon; a-(3-Pyridyl)acetate; a-(3-Pyridyl)acetic acid; alpha-(3-Pyridyl)acetate; alpha-(3-Pyridyl)acetic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB00301	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02730	Nicotinamide N-oxide	C6H6N2O2	138.04292	http://www.hmdb.ca/metabolites/HMDB02730	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00301	Urocanic acid	C6H6N2O2	138.04292	HMDB00301	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02241	cis-Urocanic acid	C6H6N2O2	138.04292	HMDB02241	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02730	Nicotinamide N-oxide	C6H6N2O2	138.04292	HMDB02730	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00301	Urocanic acid	C6H6N2O2	138.042923	NA	HMDB2010	NA	NA
+HMDB02730	Nicotinamide N-oxide	C6H6N2O2	138.042923	NA	HMDB2010	NA	NA
+MJ001607	Urocanate 	C6H6N2O2	138.042927	NA	MeJP	NA	NA
+MJ001608	1H-Pyrrole-2-carboxylic acidylamide 	C6H6N2O2	138.042927	NA	MeJP	NA	NA
+MJ001609	3-Pyridinecarboxamide; N'-Hydroxy 	C6H6N2O2	138.042927	NA	MeJP	NA	NA
+MJ001610	4-Hydroxy-3-pyridinecarboxylic acid; Amide 	C6H6N2O2	138.042927	NA	MeJP	NA	NA
+MJ001611	5-Oxo-2(5H)-isoxazolepropanoic acid; Nitrile 	C6H6N2O2	138.042927	NA	MeJP	NA	NA
+MJ001612	Urocanic acid 	C6H6N2O2	138.042927	NA	MeJP	NA	NA
+MetaCyc00787	urocanate [urocanic acid;trans-urocanate;]	C6H6N2O2	138.042927	104-98-3	metacyc	NA	NA
+MetaCyc00788	4-nitroaniline [p-nitroaniline;4-nitrobenzeneamine;]	C6H6N2O2	138.042927	100-01-6	metacyc	NA	NA
+MJ001613	1-Undecene-3,5,7,9-tetrayne 	C11H6	138.04695	NA	MeJP	NA	NA
+MJ001614	Benzyl methyl sulfide 	C8H10S	138.050321	NA	MeJP	NA	NA
+CJpos0247	Trigonelline (and isomer) [(M+H)]+ (13C)	C613CH8NO2	138.050475	C18rt(min)=0.93 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0247	Trigonelline (and isomer) [(M+H)]+ (13C)	C613CH8NO2	138.050475	C18rt(min)=0.93 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB12182	8-Hydroxypurine	C5H6N4O	138.054153	NA	HMDB2010	NA	NA
+MJ001615	1,3-Dimethoxybenzene 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001616	1,4-Benzenediol; Mono-Et ether 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001617	1,4-Dimethoxybenzene 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001618	1-(4-Hydroxyphenyl)ethanol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001619	2,5-Dimethyl-1,3-benzenediol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001620	2,6-Dimethyl-1,4-benzenediol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001621	2,6-Octadienedial 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001622	2-(4-Hydroxyphenyl)ethanol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001623	2-Ethyl-1,4-benzenediol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001624	2-Methyl-1,4-benzenediol; 4-Me ether 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001625	2-Phenoxyethanol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001626	3,5-Octadiyne-1,8-diol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001627	4,5-Dimethyl-1,3-benzenediol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001628	4-Ethyl-1,2-benzenediol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001629	4-Hydroxybenzyl alcohol; 4-Me ether 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001630	4-Hydroxybenzyl alcohol; ?-Me ether 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001631	4-Methyl-1,2-benzenediol; 2-Me ether 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001632	5-Methyl-1,3-benzenediol; Mono-Me ether 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001633	3-Ethylcatechol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+MJ001634	Styrene cis-glycol 	C8H10O2	138.068079	NA	MeJP	NA	NA
+HMDB04284	Tyrosol	C8H10O2	138.06808	http://www.hmdb.ca/metabolites/HMDB04284	HMDB	NA	NA
+MetaCyc00789	3-ethylcatechol [2,3-dihydroxyethylbenzene;3-ethyl-benzene-1,2-diol;]	C8H10O2	138.06808	NA	metacyc	NA	NA
+HMDB04284	Tyrosol	C8H10O2	138.06808	HMDB04284	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04284	Tyrosol	C8H10O2	138.068085	NA	HMDB2010	NA	NA
+C03352	3-Methoxybenzyl alcohol	C8H10O2	138.0681	NA	KEGG	NA	NA
+C06044	4-Hydroxyphenylethanol	C8H10O2	138.0681	NA	KEGG	NA	NA
+C06728	3-Ethylcatechol	C8H10O2	138.0681	NA	KEGG	NA	NA
+C07084	Styrene cis-glycol	C8H10O2	138.0681	NA	KEGG	NA	NA
+C11480	2-Methyl-6-oxohepta-2,4-dienal	C8H10O2	138.0681	NA	KEGG	NA	NA
+C13638	1-(4'-Hydroxyphenyl)ethanol	C8H10O2	138.0681	NA	KEGG	NA	NA
+C13639	Transferred to D02109	C8H10O2	138.0681	NA	KEGG	NA	NA
+C13640	Transferred to D02110	C8H10O2	138.0681	NA	KEGG	NA	NA
+C13641	Transferred to D02111	C8H10O2	138.0681	NA	KEGG	NA	NA
+C13643	Transferred to D02113	C8H10O2	138.0681	NA	KEGG	NA	NA
+C13644	Transferred to D02114	C8H10O2	138.0681	NA	KEGG	NA	NA
+C03994	4-Hydroxymethylphenylhydrazine	C7H10N2O	138.0793	NA	KEGG	NA	NA
+C11765	ProPAM	C7H10N2O	138.0793	NA	KEGG	NA	NA
+MJ001635	1H-Pyrrole-3-propanoic acid; Amide 	C7H10N2O	138.079312	NA	MeJP	NA	NA
+MJ001636	3,5-Dimethyl-2(1H)-pyrazinone; OH-form, Me ether 	C7H10N2O	138.079312	NA	MeJP	NA	NA
+MJ001637	3-Hydroxybenzylhydrazine 	C7H10N2O	138.079312	NA	MeJP	NA	NA
+MJ001638	Pyracrimycin A 	C7H10N2O	138.079312	NA	MeJP	NA	NA
+MetaCyc00790	4-hydroxymethylphenylhydrazine []	C7H10N2O1	138.079313	NA	metacyc	NA	NA
+C13692	Pentylenetetrazole	C6H10N4	138.0905	NA	KEGG	NA	NA
+MJ001639	2-Amino-4-(3-amino-1-propenyl)-1H-imidazole 	C6H10N4	138.090546	NA	MeJP	NA	NA
+MJ001640	6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine 	C6H10N4	138.090546	NA	MeJP	NA	NA
+MJ001641	2,6-Nonadienal 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001642	2-Isopropyl-5-methyl-2-cyclopenten-1-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001643	2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-ol 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001644	2-Pentylfuran 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001645	3,5,5-Trimethyl-2-cyclohexen-1-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001646	3,5,5-Trimethyl-3-cyclohexen-1-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001647	3,6-Nonadienal 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001648	4,4-Dimethyl-2-cyclohepten-1-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001649	4-Acetyl-1-methylcyclohexene 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001650	4-Isopropyl-2-cyclohexen-1-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001651	5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001652	5-Isopropylbicyclo[3.1.0]hexan-2-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MJ001653	6,6-Dimethylbicyclo[3.1.1]heptan-2-one 	C9H14O	138.104465	NA	MeJP	NA	NA
+MetaCyc00791	c-3,6-nonadienal []	C9H14O1	138.104465	NA	metacyc	NA	NA
+C08499	Nona-2,6-dienal	C9H14O	138.1045	NA	KEGG	NA	NA
+C14743	Isophorone	C9H14O	138.1045	NA	KEGG	NA	NA
+C16323	3,6-Nonadienal	C9H14O	138.1045	NA	KEGG	NA	NA
+MJ001654	3,7-Dimethyl-1,6-octadiene 	C10H18	138.14085	NA	MeJP	NA	NA
+MJ001655	p-Menth-1-ene 	C10H18	138.14085	NA	MeJP	NA	NA
+MJ001656	p-Menth-3-ene 	C10H18	138.14085	NA	MeJP	NA	NA
+MJ001657	p-Menth-4(8)-ene 	C10H18	138.14085	NA	MeJP	NA	NA
+MJ001658	p-Menth-8-ene 	C10H18	138.14085	NA	MeJP	NA	NA
+C11215	Arsenate ion	AsO4	138.9013	NA	KEGG	NA	NA
+CJpos0248	Hydroxynicotinic acid isomers [(M+H)]+	C6H6NO3	139.026375	C18rt(min)=1.05 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0248	Hydroxynicotinic acid isomers [(M+H)]+	C6H6NO3	139.026375	C18rt(min)=1.05 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00870	4-Nitrophenol	C6H5NO3	139.0269	NA	KEGG	NA	NA
+C00871	Alkylated DNA	C10H17O8PR2	139.0269	NA	KEGG	NA	NA
+C01020	6-Hydroxynicotinate	C6H5NO3	139.0269	NA	KEGG	NA	NA
+C01021	Aromatic amino acid	C3H6NO2R	139.0269	NA	KEGG	NA	NA
+C01022	Caldesmon phosphate	C3H6NO2R	139.0269	NA	KEGG	NA	NA
+C01988	2-Nitrophenol	C6H5NO3	139.0269	NA	KEGG	NA	NA
+C14418	3-Nitrophenol	C6H5NO3	139.0269	NA	KEGG	NA	NA
+MJ001659	4-Nitrophenol 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MJ001660	6-Hydroxynicotinate 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MJ001661	3-Hydroxy-2-pyridinecarboxylic acid 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MJ001662	3-Pyridinecarboxylic acid; N-Oxide 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MJ001663	5-Formyl-1H-pyrrole-2-carboxylic acid 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MJ001664	5-Hydroxy-2-pyridinecarboxylic acid 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MJ001665	Basidalin 	C6H5NO3	139.026943	NA	MeJP	NA	NA
+MetaCyc00792	6-hydroxynicotinate [6-hydroxy-nicotinate;]	C6H5N1O3	139.026943	5006-66-6	metacyc	NA	NA
+MetaCyc00793	p-nitrophenol [4-Nitrophenol;PNP;Niphen;4-Hydroxynitrobenzene;]	C6H5N1O3	139.026943	100-02-7	metacyc	NA	NA
+MetaCyc00794	2-nitrophenol []	C6H5N1O3	139.026943	88-75-5	metacyc	NA	NA
+HMDB01232	4-Nitrophenol	C6H5NO3	139.026947	NA	HMDB2010	NA	NA
+HMDB02658	6-Hydroxynicotinic acid	C6H5NO3	139.026947	NA	HMDB2010	NA	NA
+HMDB13188	3-Hydroxypicolinic acid	C6H5NO3	139.026947	NA	HMDB2010	NA	NA
+HMDB01232	4-Nitrophenol	C6H5NO3	139.02695	http://www.hmdb.ca/metabolites/HMDB01232	HMDB	NA	NA
+HMDB02658	6-Hydroxynicotinic acid	C6H5NO3	139.02695	http://www.hmdb.ca/metabolites/HMDB02658	HMDB	NA	NA
+HMDB01232	4-Nitrophenol	C6H5NO3	139.02695	HMDB01232	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02658	6-Hydroxynicotinic acid	C6H5NO3	139.02695	HMDB02658	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0108	Hydroxynicotinic acid isomer [(M-H)]-	C6H4NO3	139.027525	C18rt(min)=4.48 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0109	Hydroxynicotinic acid isomers [(M-H)]-	C6H4NO3	139.027525	C18rt(min)=1.05 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0110	4-Nitrophenol [(M-H)]-	C6H4NO3	139.027525	C18rt(min)=7.53 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0108	Hydroxynicotinic acid isomer [(M-H)]-	C6H4NO3	139.027525	C18rt(min)=4.48 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0109	Hydroxynicotinic acid isomers [(M-H)]-	C6H4NO3	139.027525	C18rt(min)=1.05 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0110	4-Nitrophenol [(M-H)]-	C6H4NO3	139.027525	C18rt(min)=7.53 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03349	3-Aminopropanesulfonate	C3H9NO3S	139.0303	NA	KEGG	NA	NA
+MJ001666	2-Aminoethanesulfonic acid; N-Me 	C3H9NO3S	139.030313	NA	MeJP	NA	NA
+MJ001667	2-Amino-4-pyrimidinecarboxylic acid 	C5H5N3O2	139.038176	NA	MeJP	NA	NA
+HMDB01978	5-Hydroxypyrazinamide	C5H5N3O2	139.038177	NA	HMDB2010	NA	NA
+HMDB01978	5-Hydroxypyrazinamide	C5H5N3O2	139.03818	http://www.hmdb.ca/metabolites/HMDB01978	HMDB	NA	NA
+HMDB01978	5-Hydroxypyrazinamide	C5H5N3O2	139.03818	HMDB01978	PFEM_hmdb_metabocards_official	NA	NA
+C05679	N-Monomethyl-2-aminoethylphosphonate	C3H10NO3P	139.0398	NA	KEGG	NA	NA
+MJ001668	N-Monomethyl-2-aminoethylphosphonate 	C3H10NO3P	139.039829	NA	MeJP	NA	NA
+MJ001669	(2-Aminoethyl)phosphonic acid; N-Me 	C3H10NO3P	139.039829	NA	MeJP	NA	NA
+7839	ACE inhibitor	ME	139.0412	MH2+	Inhouse_peptide	NA	peptide
+CJpos0249	Aminonicotinic acid isomers [(M+H)]+ (13C)	C513CH7N2O2	139.045775	C18rt(min)=1.06 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0249	Aminonicotinic acid isomers [(M+H)]+ (13C)	C513CH7N2O2	139.045775	C18rt(min)=1.06 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+3666	ACE inhibitor	YP	139.0575	MH2+	Inhouse_peptide	NA	peptide
+CJpos0250	Valine Betaine [M+Na]+	C5H11O2NNa	139.060375	C18rt(min)=1.03 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0250	Valine § Betaine [M+Na]+	C5H11O2NNa	139.060375	C18rt(min)=1.03 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0251	Tiglylglycine [(M+H)-(H2O)]+	C7H10NO2	139.062775	C18rt(min)=5.1 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0251	Tiglylglycine [(M+H)-(H2O)]+	C7H10NO2	139.062775	C18rt(min)=5.1 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C12110	Gabaculine	C7H9NO2	139.0633	NA	KEGG	NA	NA
+HMDB00875	Trigonelline	C7H9NO2	139.06332	http://www.hmdb.ca/metabolites/HMDB00875	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00875	Trigonelline	C7H9NO2	139.06332	http://www.hmdb.ca/metabolites/HMDB00875	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00875	Trigonelline	C7H9NO2	139.06332	http://www.hmdb.ca/metabolites/HMDB00875	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00875	Trigonelline	C7H9NO2	139.06332	http://www.hmdb.ca/metabolites/HMDB00875	HMDB	NA	NA
+HMDB00875	Trigonelline	C7H9NO2	139.06332	HMDB00875	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12153	3,4-Dihydroxybenzylamine	C7H9NO2	139.063324	NA	HMDB2010	NA	NA
+MJ001670	N-Methylnicotinate 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001671	2-Amino-4-hepten-6-ynoic acid 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001672	2-Ethyl-3-methyl-2-butenedioic acid, Imide 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001673	2-Hydroxy-4,6-dimethylpyridine; NH-form, N-Hydroxy 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001674	3,4-Dihydroxy-2-methylpyridine; NH-form, N-Me 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001675	3-Acetyl-4-(hydroxymethyl)pyrrole 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001676	4-Methyl-1H-pyrrole-2-carboxylic acid; Me ester 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001677	5,6,7,7a-Tetrahydro-7a-hydroxy-3H-pyrrolizin-3-one 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001678	5-Amino-1,3-cyclohexadiene-1-carboxylic acid 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001679	6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid, Aldehyde 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MJ001680	Dihydro-1H-pyrrolizine-3,5(2H,6H)-dione 	C7H9NO2	139.063328	NA	MeJP	NA	NA
+MetaCyc00795	3,4-dihydroxybenzylamine [4-(aminomethyl)-1,2-benzenediol;1,2-benzenediol, 4-(aminomethyl)-;]	C7H9N1O2	139.063329	NA	metacyc	NA	NA
+HMDB12234	Histidinal	C6H9N3O	139.074554	NA	HMDB2010	NA	NA
+MJ001681	4-Amino-5-hydroxymethyl-2-methylpyrimidine 	C6H9N3O	139.074561	NA	MeJP	NA	NA
+MJ001682	L-Histidinal 	C6H9N3O	139.074561	NA	MeJP	NA	NA
+MJ001683	4-Amino-5-(hydroxymethyl)-2-methylpyrimidine 	C6H9N3O	139.074561	NA	MeJP	NA	NA
+MetaCyc00796	hydroxymethylpyrimidine [6-amino-5-hydroxymethyl-2-methylpyrimidine;4-amino-2-methyl-5-pyrimidinemethanol;pyramine;pyramin;Toxopyrimidine;HMP;4-amino-2-methyl-5-hydroxymethylpyrimidine;4-amino-5-hydroxymethyl-2-methylpyrimidine;]	C6H9N3O1	139.074562	73-67-6	metacyc	NA	NA
+MetaCyc00797	histidinal [L-histidinal;]	C6H9N3O1	139.074562	NA	metacyc	NA	NA
+C01279	4-Amino-5-hydroxymethyl-2-methylpyrimidine	C6H9N3O	139.0746	NA	KEGG	NA	NA
+C01929	L-Histidinal	C6H9N3O	139.0746	NA	KEGG	NA	NA
+3551	ACE inhibitor (from bovine beta-Lg)	LF	139.076	MH2+	Inhouse_peptide	NA	peptide
+7593	ACE inhibitor	IF	139.076	MH2+	Inhouse_peptide	NA	peptide
+C00783	Tropinone	C8H13NO	139.0997	NA	KEGG	NA	NA
+C10400	Supinidine	C8H13NO	139.0997	NA	KEGG	NA	NA
+C16697	1-Indolizidinone	C8H13NO	139.0997	NA	KEGG	NA	NA
+MJ001684	Tropinone 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001685	1-Methylenepyrrolizidine, N-Oxide 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001686	2,4-Octadienoic acid, Amide 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001687	4-Acetyl-1,2,3,6-tetrahydro-1-methylpyridine 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001688	4-Ethyl-2,4-hexadienoic acid, Amide 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001689	7-Hydroxy-1-methylenepyrrolizidine 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001690	8-Methyl-8-azabicyclo[3.2.1]octan-3-one 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001691	Crotalaria goreensis Base C 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001692	Hygrine, 1',2-Didehydro(E-) 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001693	Supinidine 	C8H13NO	139.099714	NA	MeJP	NA	NA
+MJ001694	2-Furanmethanamine; N-Tri-Me 	C8H14NO(+)	139.099714	NA	MeJP	NA	NA
+MetaCyc00798	tropinone []	C8H13N1O1	139.099714	532-24-1	metacyc	NA	NA
+MJ001695	4-[2-(Dimethylamino)ethyl]imidazole 	C7H13N3	139.110947	NA	MeJP	NA	NA
+MJ001696	2-Methyl-6-(1-propenyl)piperidine 	C9H17N	139.136099	NA	MeJP	NA	NA
+C10165	Pinidine	C9H17N	139.1361	NA	KEGG	NA	NA
+3355	Stimulating vasoactive substance release	SSS	139.548	MH2+	Inhouse_peptide	NA	peptide
+7683	ACE inhibitor from garlic	NF	139.55545	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc00799	arsenate [inorganic arsenate;orthoarsenate;AsO43-;]	H1O4AS1	139.90908	7778-39-4	metacyc	NA	NA
+MJ001697	1,2,4-Trithiolane; 1-Oxide 	C2H4OS3	139.942426	NA	MeJP	NA	NA
+MJ001698	1,2,4-Trithiolane; 4-Oxide 	C2H4OS3	139.942426	NA	MeJP	NA	NA
+MJ001699	2,3-Dichloro-2-propenoic acid 	C3H2Cl2O2	139.943184	NA	MeJP	NA	NA
+MJ001700	3,3-Dichloro-2-propenoic acid 	C3H2Cl2O2	139.943184	NA	MeJP	NA	NA
+HMDB12258	Methylarsonate	CH5AsO3	139.945465	NA	HMDB2010	NA	NA
+MJ001701	Methylarsonic acid 	CH5AsO3	139.945465	NA	MeJP	NA	NA
+C07294	Methylarsonate	CH5AsO3	139.9455	NA	KEGG	NA	NA
+MJ001702	Cyclopentanepentone 	C5O5	139.974573	NA	MeJP	NA	NA
+C14179	Sulfoacetate	C2H4O5S	139.9779	NA	KEGG	NA	NA
+MJ001703	Sulfoacetaldehyde 	C2H4O5S	139.977943	NA	MeJP	NA	NA
+HMDB01494	Acetylphosphate	C2H5O5P	139.987457	NA	HMDB2010	NA	NA
+HMDB04110	Phosphonoacetate	C2H5O5P	139.987457	NA	HMDB2010	NA	NA
+MJ001704	Phosphonoacetic acid 	C2H5O5P	139.987459	NA	MeJP	NA	NA
+MJ001705	Acetyl phosphate 	C2H5O5P	139.987459	NA	MeJP	NA	NA
+MJ001706	Phosphonoacetate 	C2H5O5P	139.987459	NA	MeJP	NA	NA
+HMDB01494	Acetylphosphate	C2H5O5P	139.98746	http://www.hmdb.ca/metabolites/HMDB01494	HMDB	NA	NA
+HMDB04110	Phosphonoacetate	C2H5O5P	139.98746	http://www.hmdb.ca/metabolites/HMDB04110	HMDB	NA	NA
+MetaCyc00800	phosphonoacetate [Phosphonoacetic acid;]	C2H5O5P1	139.98746	NA	metacyc	NA	NA
+MetaCyc00801	acetylphosphate [acetyl-P;]	C2H5O5P1	139.98746	19926-71-7	metacyc	NA	NA
+HMDB01494	Acetylphosphate	C2H5O5P	139.98746	HMDB01494	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04110	Phosphonoacetate	C2H5O5P	139.98746	HMDB04110	PFEM_hmdb_metabocards_official	NA	NA
+C00227	Acetyl phosphate	C2H5O5P	139.9875	NA	KEGG	NA	NA
+C00229	Acyl-carrier protein	HSR	139.9875	NA	KEGG	NA	NA
+C05682	Phosphonoacetate	C2H5O5P	139.9875	NA	KEGG	NA	NA
+MJ001707	4-Chlorobenzaldehyde 	C7H5ClO	140.002892	NA	MeJP	NA	NA
+C06648	4-Chlorobenzaldehyde	C7H5ClO	140.0029	NA	KEGG	NA	NA
+MJ001708	cis-4-Carboxymethylenebut-2-en-4-olide 	C6H4O4	140.010958	NA	MeJP	NA	NA
+MJ001709	2,5-Dihydroxy-1,4-benzoquinone 	C6H4O4	140.010958	NA	MeJP	NA	NA
+MetaCyc00802	4-carboxymethylenebut-2-en-4-olide [cis-4-carboxymethylenebut-2-en-4-olide;]	C6H4O4	140.010959	3374-46-7	metacyc	NA	NA
+C04431	cis-4-Carboxymethylenebut-2-en-4-olide	C6H4O4	140.011	NA	KEGG	NA	NA
+C04432	tRNA containing 6-isopentenyladenosine	C15H22N5O7P	140.011	NA	KEGG	NA	NA
+C12838	trans-4-Carboxymethylenebut-2-en-4-olide	C6H4O4	140.011	NA	KEGG	NA	NA
+C12839	Transferred to D01393	C6H4O4	140.011	NA	KEGG	NA	NA
+C12840	Transferred to D01394	C6H4O4	140.011	NA	KEGG	NA	NA
+C12841	Transferred to D01395	C6H4O4	140.011	NA	KEGG	NA	NA
+MetaCyc00803	5-hydroxymethyluracil []	C5H4N2O3	140.022192	4433-40-3	metacyc	NA	NA
+C17206	Uracil 5-carbaldehyde	C5H4N2O3	140.0222	NA	KEGG	NA	NA
+C17207	1,4-beta-D-Mannooligosaccharide	H2O	140.0222	NA	KEGG	NA	NA
+C06452	2-Hydroxypropylphosphonate	C3H9O4P	140.0238	NA	KEGG	NA	NA
+MetaCyc00804	4-fluorobenzoate [p-fluorobenzoic acid;]	C7H5O2F1	140.027358	NA	metacyc	NA	NA
+MetaCyc00805	2-fluorobenzoate []	C7H5O2F1	140.027358	NA	metacyc	NA	NA
+C02359	2-Fluorobenzoate	C7H5FO2	140.0274	NA	KEGG	NA	NA
+C02364	3-Fluorobenzoate	C7H5FO2	140.0274	NA	KEGG	NA	NA
+C02371	4-Fluorobenzoate	C7H5FO2	140.0274	NA	KEGG	NA	NA
+MJ001710	2,3-Dihydro-6-methylthieno[2,3-c]furan 	C7H8OS	140.029585	NA	MeJP	NA	NA
+MJ001711	2-Acetyl-5-methylthiophene 	C7H8OS	140.029585	NA	MeJP	NA	NA
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR278	Acide urique F2	NA	140.031875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR278	Acide urique F2	NA	140.031875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR278	Acide urique F2	NA	140.031875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR278	Acide urique F2	NA	140.031875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR278	Uric acid F2	F2	140.031875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C11764	Sarin	C4H10FO2P	140.0402	NA	KEGG	NA	NA
+MJ001712	3-Methyl-2-pyrazinethiol; SH-form, S-Me 	C6H8N2S	140.040818	NA	MeJP	NA	NA
+C03338	2,3,5-Trihydroxytoluene	C7H8O3	140.0473	NA	KEGG	NA	NA
+C10792	Gentisyl alcohol	C7H8O3	140.0473	NA	KEGG	NA	NA
+C14110	4-Hydroxymethylcatechol	C7H8O3	140.0473	NA	KEGG	NA	NA
+C16401	2,4,6-Trihydroxytoluene	C7H8O3	140.0473	NA	KEGG	NA	NA
+MJ001713	-Methyl-1,2,4-benzenetriol 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001714	1,2,3-Benzenetriol; 1-Me ether 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001715	1,2,3-Benzenetriol; 2-Me ether 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001716	1,3,5-Benzenetriol; Mono-Me ether 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001717	2,5-Dihydroxybenzyl alcohol 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001718	2-Ethyl-3-hydroxy-4H-pyran-4-one 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001719	2-Methylene-3-oxocyclopentanecarboxylic acid 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001720	3,5-Dihydroxy-5-vinyl-2-cyclopenten-1-one 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001721	4-Hydroxy-3,6-dimethyl-2H-pyran-2-one 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001722	5-Methyl-1,2,3-benzenetriol 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001723	6-Methyl-1,2,4-benzenetriol 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001724	Epoformin 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MJ001725	Isoepiepoformin 	C7H8O3	140.047344	NA	MeJP	NA	NA
+MetaCyc00806	2,3,5-trihydroxytoluene []	C7H8O3	140.047344	NA	metacyc	NA	NA
+JH082	Arginine [M+H-2NH2]+	NA	140.05804	1.13	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH082	Arginine [M+H-2NH2]+	NA	140.05804	1.13	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH082	Arginine [M+H-2NH2]+	NA	140.05804	1.13	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH082	Arginine [M+H-2NH2]+	NA	140.05804	1.13	Inhousejuil11	NA	NA
+CJpos0252	Methylimidazoleacetic acid isomers [(M+H)]+	C6H9N2O2	140.058075	C18rt(min)=0.93 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0252	Methylimidazoleacetic acid isomers [(M+H)]+	C6H9N2O2	140.058075	C18rt(min)=0.93 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001726	3-Methylimidazoleacetic acid 	C6H8N2O2	140.058577	NA	MeJP	NA	NA
+MJ001727	1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione 	C6H8N2O2	140.058577	NA	MeJP	NA	NA
+MJ001728	1H-Imidazole-4(5)-propanoic acid 	C6H8N2O2	140.058577	NA	MeJP	NA	NA
+MJ001729	2,3-Dihydro-5-imino-2-pyridinecarboxylic acid 	C6H8N2O2	140.058577	NA	MeJP	NA	NA
+MJ001730	4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol 	C6H8N2O2	140.058577	NA	MeJP	NA	NA
+MJ001731	Norzooanemonin 	C6H8N2O2	140.058577	NA	MeJP	NA	NA
+HMDB02144	1,3-Dimethyluracil	C6H8N2O2	140.058578	NA	HMDB2010	NA	NA
+HMDB02271	Imidazolepropionic acid	C6H8N2O2	140.058578	NA	HMDB2010	NA	NA
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.058578	NA	HMDB2010	NA	NA
+HMDB04988	Pi-Methylimidazoleacetic acid	C6H8N2O2	140.058578	NA	HMDB2010	NA	NA
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB02820	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB04988	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB04988	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB02820	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB04988	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB02820	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB04988	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02144	1,3-Dimethyluracil	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB02144	HMDB	NA	NA
+HMDB02271	Imidazolepropionic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB02271	HMDB	NA	NA
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB02820	HMDB	NA	NA
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB04988	HMDB	NA	NA
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.05858	NA  ;SYN:pentosidineH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB04988	Pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	  ;SYN:H-Ala-Pro-Gly-Pro-Arg-OH; APGPR; N2-[1-[N-(1-L-alanyl-L-prolyl)glycyl]-L-prolyl] L-Arginine; L-alanyl-L-prolylglycyl-L-prolyl-L-ArginineH2Blood	Inhouse_peptide	NA	peptide
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	http://www.hmdb.ca/metabolites/HMDB04988	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02144	1,3-Dimethyluracil	C6H8N2O2	140.05858	HMDB02144	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02271	Imidazolepropionic acid	C6H8N2O2	140.05858	HMDB02271	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02820	Methylimidazoleacetic acid	C6H8N2O2	140.05858	HMDB02820	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04988	pi-Methylimidazoleacetic acid	C6H8N2O2	140.05858	HMDB04988	PFEM_hmdb_metabocards_official	NA	NA
+C05828	Methylimidazoleacetic acid	C6H8N2O2	140.0586	NA	KEGG	NA	NA
+C13693	4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol	C6H8N2O2	140.0586	NA	KEGG	NA	NA
+C17717	5-Phenyl-1,3-pentadiyne	C11H8	140.0626	NA	KEGG	NA	NA
+C17796	Norcapillene	C11H8	140.0626	NA	KEGG	NA	NA
+MJ001732	1,3-Undecadiene-5,7,9-triyne 	C11H8	140.0626	NA	MeJP	NA	NA
+MJ001733	1,9-Undecadiene-3,5,7-triyne 	C11H8	140.0626	NA	MeJP	NA	NA
+MJ001734	1-Phenyl-1,3-pentadiyne 	C11H8	140.0626	NA	MeJP	NA	NA
+MJ001735	5-Phenyl-1,3-pentadiyne 	C11H8	140.0626	NA	MeJP	NA	NA
+3492	ACE inhibitor from sake	VY	140.0655	MH2+	Inhouse_peptide	NA	peptide
+8224	antioxidative peptide	VY	140.0655	MH2+	Inhouse_peptide	NA	peptide
+C06727	cis-1,2-Dihydro-3-ethylcatechol	C8H12O2	140.0837	NA	KEGG	NA	NA
+C16656	2-Propyl-2,4-pentadienoic acid	C8H12O2	140.0837	NA	KEGG	NA	NA
+C18011	7-Hydroxy-6-methylhepta-3,5-dienal	C8H12O2	140.0837	NA	KEGG	NA	NA
+MJ001736	cis-1,2-Dihydro-3-ethylcatechol 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001737	2,4-Hexadien-1-ol, Ac 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001738	2-(2-Hydroxypropyl)-4-methylfuran 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001739	2-Ethyl-2,3-dihydro-6-methyl-4H-pyran-4-one 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001740	5,6-Dihydro-6-propyl-2H-pyran-2-one 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001741	5-(1-Butenyl)-dihydro-2(3H)-furanone 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001742	5-Methyl-3-propyl-2(5H)-furanone 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MJ001743	6-Ethyl-2,3-dihydro-2-methyl-4H-pyran-4-one 	C8H12O2	140.083729	NA	MeJP	NA	NA
+MetaCyc00807	cis-1,2-dihydro-3-ethylcatechol [cis-2,3-dihydroxy-2,3-dihydroethylbenzene;cis-3-ethyl-cyclohexa-3,5-diene-1,2-diol;]	C8H12O2	140.08373	NA	metacyc	NA	NA
+MJ001744	Loline; N-De-Me 	C7H12N2O	140.094963	NA	MeJP	NA	NA
+MJ001745	Pyracrimycin A, 1,2-Dihydro 	C7H12N2O	140.094963	NA	MeJP	NA	NA
+MJ001746	1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane 	C6H12N4	140.106196	NA	MeJP	NA	NA
+MJ001747	1-Nonen-3-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001748	1-Nonen-4-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001749	2,2,6-Trimethylcyclohexanone 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001750	2,3-Dihydro-2,5-dimethyl-2-isopropylfuran 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001751	2,3-Dihydro-2-isopropyl-2,5-dimethylfuran 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001752	2,3-Dimethylbicyclo[2.2.1]heptan-2-ol 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001753	2,4-Dimethyl-2,4-heptadien-1-ol 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001754	2,6-Dimethyl-5-heptenal 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001755	2,6-Nonadien-1-ol 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001756	2-(3-Methylcyclopentyl)propanal 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001757	2-Nonen-4-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001758	2-Nonenal 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001759	3,5-Dimethyl-3-hepten-2-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001760	3,6-Nonadien-1-ol 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001761	3-Nonen-2-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001762	5-Nonen-2-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001763	6,8-Nonadien-2-ol 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001764	6-Butyl-3,4-dihydro-2H-pyran 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001765	6-Nonen-2-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001766	6-Nonenal 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001767	7-Methyl-4-octen-3-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001768	7-Nonen-4-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001769	8-Nonen-2-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MJ001770	8-Nonen-3-one 	C9H16O	140.120115	NA	MeJP	NA	NA
+MetaCyc00808	t-2-nonenal [trans-2-nonealdehyde;3-hexyl-2-propenal;(E)-2-nonen-1-al;(E)-2-nonenal;trans-2-nonen-1-al;heptylidene acetaldehyde;]	C9H16O1	140.120115	NA	metacyc	NA	NA
+MetaCyc00809	c-3-nonenal []	C9H16O1	140.120115	NA	metacyc	NA	NA
+CJneg0111	Sebacic acid [(M-H)-(H2O)-(CO2)]-	C9H15O	140.120625	C18rt(min)=7.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0111	Sebacic acid [(M-H)-(H2O)-(CO2)]-	C9H15O	140.120625	C18rt(min)=7.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ001771	1-Isopropyl-2,3-dimethylcyclopentane 	C10H20	140.1565	NA	MeJP	NA	NA
+MJ001772	Butylcyclohexane 	C10H20	140.1565	NA	MeJP	NA	NA
+MJ001773	p-Menthane 	C10H20	140.1565	NA	MeJP	NA	NA
+C00169	Carbamoyl phosphate	CH4NO5P	140.9827	NA	KEGG	NA	NA
+MJ001774	Carbamoyl phosphate 	CH4NO5P	140.982708	NA	MeJP	NA	NA
+MetaCyc00810	carbamoyl-phosphate [carbamoyl-P;carbamyl-phosphate;]	C1H4N1O5P1	140.982709	590-55-6	metacyc	NA	NA
+HMDB01096	Carbamoylphosphate	CH4NO5P	140.98271	http://www.hmdb.ca/metabolites/HMDB01096	HMDB	NA	NA
+HMDB01096	Carbamoylphosphate	CH4NO5P	140.98271	HMDB01096	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01096	Carbamoylphosphate	CH4NO5P	140.982712	NA	HMDB2010	NA	NA
+C14281	5-Nitrofurfural	C5H3NO4	141.0062	NA	KEGG	NA	NA
+C16552	Nornitrogen mustard	C4H9Cl2N	141.0112	NA	KEGG	NA	NA
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.019089	NA	HMDB2010	NA	NA
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	http://www.hmdb.ca/metabolites/HMDB00224	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	http://www.hmdb.ca/metabolites/HMDB00224	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	http://www.hmdb.ca/metabolites/HMDB00224	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	http://www.hmdb.ca/metabolites/HMDB00224	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	http://www.hmdb.ca/metabolites/HMDB00224	HMDB	NA	NA
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	http://www.hmdb.ca/metabolites/HMDB00224	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00224	O-Phosphoethanolamine	C2H8NO4P	141.01909	HMDB00224	PFEM_hmdb_metabocards_official	NA	NA
+MJ001775	(2-Amino-1-hydroxyethyl)phosphonic acid 	C2H8NO4P	141.019094	NA	MeJP	NA	NA
+MJ001776	1-Hydroxy-2-aminoethylphosphonate 	C2H8NO4P	141.019094	NA	MeJP	NA	NA
+MJ001777	Ethanolamine phosphate 	C2H8NO4P	141.019094	NA	MeJP	NA	NA
+MetaCyc00811	phosphoryl-ethanolamine [phosphoethanolamine;ethanolamine phosphate;O-Phosphorylethanolamine;O-Phosphoethanolamine;]	C2H8N1O4P1	141.019094	1071-23-4	metacyc	NA	NA
+C00346	Ethanolamine phosphate	C2H8NO4P	141.0191	NA	KEGG	NA	NA
+C00347	Long-chain carboxylate	C3H5O2R	141.0191	NA	KEGG	NA	NA
+C05678	1-Hydroxy-2-aminoethylphosphonate	C2H8NO4P	141.0191	NA	KEGG	NA	NA
+HMDB01280	2-Aminomuconic acid semialdehyde	C6H7NO3	141.042587	NA	HMDB2010	NA	NA
+HMDB01280	2-Aminomuconic acid semialdehyde	C6H7NO3	141.04259	http://www.hmdb.ca/metabolites/HMDB01280	HMDB	NA	NA
+HMDB01280	2-Aminomuconic acid semialdehyde	C6H7NO3	141.04259	HMDB01280	PFEM_hmdb_metabocards_official	NA	NA
+MJ001778	2,3,5-Trihydroxy-6-methylpyridine 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MJ001779	2-(Aminomethyl)-5-hydroxy-4H-pyran-4-one 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MJ001780	3-Amino-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MJ001781	5-Amino-2(5H)-furanone, N-Ac 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MJ001782	5-Methyl-3-isoxazolecarboxylic acid; Me ester 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MJ001783	Gentiocrucine 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MJ001784	2-Aminomuconate semialdehyde 	C6H7NO3	141.042593	NA	MeJP	NA	NA
+MetaCyc00812	1,4,5,6-tetrahydro-6-oxonicotinate []	C6H7N1O3	141.042593	NA	metacyc	NA	NA
+MetaCyc00813	2-aminomuconate semialdehyde [2-Aminomuconate 6-semialdehyde;2-aminomuconic semialdehyde;]	C6H7N1O3	141.042593	NA	metacyc	NA	NA
+C03824	2-Aminomuconate semialdehyde	C6H7NO3	141.0426	NA	KEGG	NA	NA
+C04226	6-Oxo-1,4,5,6-tetrahydronicotinate	C6H7NO3	141.0426	NA	KEGG	NA	NA
+C09960	Gentianaine	C6H7NO3	141.0426	NA	KEGG	NA	NA
+MJ001785	2-Methyl-4(5)-nitroimidazole; 3H-form, N-Me 	C5H7N3O2	141.053826	NA	MeJP	NA	NA
+MJ001786	4-Amino-5-hydroxymethyl-2(1H)-pyrimidinone 	C5H7N3O2	141.053826	NA	MeJP	NA	NA
+MetaCyc00814	2-amino-4-carboxypyrimidine []	C5H7N3O2	141.053826	NA	metacyc	NA	NA
+8219	antioxidative peptide	TY	141.055	MH2+	Inhouse_peptide	NA	peptide
+MJ001787	2-(2-Methylpropyl)thiazole 	C7H11NS	141.06122	NA	MeJP	NA	NA
+MJ001788	6-Isothiocyanato-1-hexene 	C7H11NS	141.06122	NA	MeJP	NA	NA
+CJpos0253	Methylimidazoleacetic acid isomers [(M+H)]+ (13C)	C513CH9N2O2	141.061375	C18rt(min)=0.93 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0253	Methylimidazoleacetic acid isomers [(M+H)]+ (13C)	C513CH9N2O2	141.061375	C18rt(min)=0.93 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0254	Isovalerylglycine [(M+H)-(H2O)]+	C7H12NO2	141.078475	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0255	Pantothenic acid [(M+H)-(C2H6O3)]+	C7H12O2N	141.078475	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0254	Isovalerylglycine [(M+H)-(H2O)]+	C7H12NO2	141.078475	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0255	Pantothenic acid [(M+H)-(C2H6O3)]+	C7H12O2N	141.078475	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001789	1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001790	1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid; Me ester 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001791	2,3-Dehydro-?-stachydrine 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001792	2-Amino-4-methyl-5-hexynoic acid 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001793	3-Ethyl-3-methyl-2,5-pyrrolidinedione 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001794	3-Methyl-1-pentyn-3-ol, Carbamoyl 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001795	Hexahydro-7a-hydroxy-3H-pyrrolizin-3-one 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001796	Hypoglycin A 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001797	?-Amino-2-cyclopentene-1-acetic acid; 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+MJ001798	?-Amino-2-cyclopentene-1-acetic acid 	C7H11NO2	141.078978	NA	MeJP	NA	NA
+C07505	Ethosuximide	C7H11NO2	141.079	NA	KEGG	NA	NA
+C08287	L-Hypoglycin	C7H11NO2	141.079	NA	KEGG	NA	NA
+C10128	Arecaidine	C7H11NO2	141.079	NA	KEGG	NA	NA
+C16821	Guvacoline	C7H11NO2	141.079	NA	KEGG	NA	NA
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	HMDB	NA	NA
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	Inhouse_PFEM	NA	NA
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC011	L-Histidinol	C6H11N3O	141.0798	RT0.9	PFEM_hmdb_metabocards_official	NA	NA
+C00860	L-Histidinol	C6H11N3O	141.0902	NA	KEGG	NA	NA
+HMDB03431	L-Histidinol	C6H11N3O	141.09021	http://www.hmdb.ca/metabolites/HMDB03431	HMDB	NA	NA
+HMDB03431	L-Histidinol	C6H11N3O	141.09021	HMDB03431	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03431	L-Histidinol	C6H11N3O	141.09021	NA	HMDB2010	NA	NA
+MJ001799	L-Histidinol 	C6H11N3O	141.090212	NA	MeJP	NA	NA
+MetaCyc00815	histidinol [histidol;histidinol;L-histidinol;]	C6H11N3O1	141.090212	501-28-0	metacyc	NA	NA
+MJ001800	Hygrine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001801	Pelletierine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001802	Tropine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001803	1-Hydroxymethylpyrrolizidine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001804	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001805	Conhydrinone 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001806	Hygrine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001807	Pelletierine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MJ001808	Physoperuvine 	C8H15NO	141.115364	NA	MeJP	NA	NA
+MetaCyc00816	tropine []	C8H15N1O1	141.115364	120-29-6	metacyc	NA	NA
+MetaCyc00817	pseudotropine []	C8H15N1O1	141.115364	135-97-7	metacyc	NA	NA
+C00729	Tropine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C00731	28S rRNA	C8H15NO	141.1154	NA	KEGG	NA	NA
+C02066	Pseudotropine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C06179	Hygrine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C06182	Pelletierine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C10864	Physoperuvine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C11359	(-)-Hygrine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C12440	Trachelanthamidine	C8H15NO	141.1154	NA	KEGG	NA	NA
+C12441	18-Carbamoyl-3,5,7,9,11,13,15,17-octaoxo-octadecanoyl-[acp]	C19H20NO10SR	141.1154	NA	KEGG	NA	NA
+C12442	18-Carbamoyl-9-hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]	C19H22NO10SR	141.1154	NA	KEGG	NA	NA
+MJ001809	2-Amino-1-cyclopentylpropane, N-Me 	C9H19N	141.151749	NA	MeJP	NA	NA
+MJ001810	2-Cyclohexylethylamine; N-Me 	C9H19N	141.151749	NA	MeJP	NA	NA
+MJ001811	2-Methyl-6-propylpiperidine 	C9H19N	141.151749	NA	MeJP	NA	NA
+MJ001812	2-Propylpiperidine, N-Me 	C9H19N	141.151749	NA	MeJP	NA	NA
+MJ001813	6-Methyl-5-hepten-2-amine, N-Me 	C9H19N	141.151749	NA	MeJP	NA	NA
+C10159	(+)-N-Methylconiine	C9H19N	141.1518	NA	KEGG	NA	NA
+8115	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GAH	141.558	MH2+	Inhouse_peptide	NA	peptide
+7633	ACE inhibitor from k-CN (fr, 120-122)	PAP	141.5705	MH2+	Inhouse_peptide	NA	peptide
+7844	ACE inhibitor	HK	141.576	MH2+	Inhouse_peptide	NA	peptide
+MJ001814	Silver(I) chloride 	AgCl	141.873945	NA	MeJP	NA	NA
+MJ001815	1-Bromo-2-chloroethane 	C2H4BrCl	141.91849	NA	MeJP	NA	NA
+MetaCyc00818	x-pyrophosphate-group []	O5P2	141.922096	NA	metacyc	NA	NA
+C01478	Arsenic acid	H3AsO4	141.9247	NA	KEGG	NA	NA
+HMDB12190	Arsenate	AsH3O4	141.924728	NA	HMDB2010	NA	NA
+MJ001816	Iodomethane 	CH3I	141.927943	NA	MeJP	NA	NA
+MJ001817	Sodium sulfate 	Na2O4S	141.931268	NA	MeJP	NA	NA
+MetaCyc00819	Na2SO4 []	O4NA2S1	141.931269	NA	metacyc	NA	NA
+C13199	Sodium sulfate	SO4	141.9313	NA	KEGG	NA	NA
+C13200	Transferred to D01733	SO4	141.9313	NA	KEGG	NA	NA
+C13201	Transferred to D01734	SO4	141.9313	NA	KEGG	NA	NA
+C13202	Transferred to D01735	SO4	141.9313	NA	KEGG	NA	NA
+C13203	Transferred to D01736	SO4	141.9313	NA	KEGG	NA	NA
+C13204	Transferred to D01737	SO4	141.9313	NA	KEGG	NA	NA
+C13205	Transferred to D01738	SO4	141.9313	NA	KEGG	NA	NA
+C13206	Transferred to D01739	SO4	141.9313	NA	KEGG	NA	NA
+C13207	Transferred to D01740	SO4	141.9313	NA	KEGG	NA	NA
+C13208	Transferred to D01741	SO4	141.9313	NA	KEGG	NA	NA
+C13209	Transferred to D01742	SO4	141.9313	NA	KEGG	NA	NA
+C13210	Transferred to D01743	SO4	141.9313	NA	KEGG	NA	NA
+C13211	Transferred to D01744	SO4	141.9313	NA	KEGG	NA	NA
+C13212	Transferred to D01745	SO4	141.9313	NA	KEGG	NA	NA
+C13213	Transferred to D01746	SO4	141.9313	NA	KEGG	NA	NA
+C13214	Transferred to D01747	SO4	141.9313	NA	KEGG	NA	NA
+C13215	Transferred to D01748	SO4	141.9313	NA	KEGG	NA	NA
+C13216	Transferred to D01749	SO4	141.9313	NA	KEGG	NA	NA
+C13217	Transferred to D01750	SO4	141.9313	NA	KEGG	NA	NA
+C13218	Transferred to D01751	SO4	141.9313	NA	KEGG	NA	NA
+C13219	Transferred to D01752	SO4	141.9313	NA	KEGG	NA	NA
+C13220	Transferred to D01753	SO4	141.9313	NA	KEGG	NA	NA
+C13221	Transferred to D01754	SO4	141.9313	NA	KEGG	NA	NA
+C13222	Transferred to D01755	SO4	141.9313	NA	KEGG	NA	NA
+C13223	Transferred to D01756	SO4	141.9313	NA	KEGG	NA	NA
+C13224	Transferred to D01757	SO4	141.9313	NA	KEGG	NA	NA
+C13225	Transferred to D01758	SO4	141.9313	NA	KEGG	NA	NA
+C13226	Transferred to D01759	SO4	141.9313	NA	KEGG	NA	NA
+C13227	Transferred to D01760	SO4	141.9313	NA	KEGG	NA	NA
+C13228	Transferred to D01761	SO4	141.9313	NA	KEGG	NA	NA
+C13229	Transferred to D01762	SO4	141.9313	NA	KEGG	NA	NA
+C13230	Transferred to D01763	SO4	141.9313	NA	KEGG	NA	NA
+C13231	Transferred to D01764	SO4	141.9313	NA	KEGG	NA	NA
+C13232	Transferred to D01765	SO4	141.9313	NA	KEGG	NA	NA
+C13233	Transferred to D01766	SO4	141.9313	NA	KEGG	NA	NA
+C13234	Transferred to D01767	SO4	141.9313	NA	KEGG	NA	NA
+MJ001818	Methyl methylthio selenide 	C2H6SSe	141.935542	NA	MeJP	NA	NA
+MJ001819	Disodium phosphate 	HNa2O4P	141.940784	NA	MeJP	NA	NA
+C13558	Dibasic sodium phosphate	HPO4	141.9408	NA	KEGG	NA	NA
+C13559	Transferred to D02052	HPO4	141.9408	NA	KEGG	NA	NA
+C13560	Transferred to D02053	HPO4	141.9408	NA	KEGG	NA	NA
+C13561	Transferred to D02054	HPO4	141.9408	NA	KEGG	NA	NA
+C13562	Transferred to D02055	HPO4	141.9408	NA	KEGG	NA	NA
+C13563	Transferred to D02056	HPO4	141.9408	NA	KEGG	NA	NA
+C13565	Transferred to D02058	HPO4	141.9408	NA	KEGG	NA	NA
+C13566	Transferred to D02059	HPO4	141.9408	NA	KEGG	NA	NA
+C13567	Transferred to D02060	HPO4	141.9408	NA	KEGG	NA	NA
+C13568	Transferred to D02061	HPO4	141.9408	NA	KEGG	NA	NA
+C03576	2-Mercaptoethanesulfonate	C2H6O3S2	141.9758	NA	KEGG	NA	NA
+HMDB03745	Mesna	C2H6O3S2	141.97583	NA	HMDB2010	NA	NA
+MJ001820	2-Mercaptoethanesulfonate 	C2H6O3S2	141.975835	NA	MeJP	NA	NA
+MJ001821	2-Mercaptoethanesulfonic acid 	C2H6O3S2	141.975835	NA	MeJP	NA	NA
+MetaCyc00820	coenzyme M [CoM;2-mercaptoethanesulfonate;H-S-CoM;]	C2H6O3S2	141.975835	NA	metacyc	NA	NA
+HMDB03745	Mesna	C2H6O3S2	141.97585	http://www.hmdb.ca/metabolites/HMDB03745	HMDB	NA	NA
+HMDB03745	Mesna	C2H6O3S2	141.97585	HMDB03745	PFEM_hmdb_metabocards_official	NA	NA
+C14688	Bis(2-chloroethyl)ether	C4H8Cl2O	141.9952	NA	KEGG	NA	NA
+HMDB02818	Alloxan	C4H2N2O4	142.00145	NA	HMDB2010	NA	NA
+MJ001822	2,4,5,6(1H,3H)-Pyrimidinetetrone 	C4H2N2O4	142.001456	NA	MeJP	NA	NA
+MetaCyc00821	alloxan [2,4,5,6(1H,3H)-pyrimidinetetrone;5,6-dioxouracil;2,4,5,6-tetraoxohexahydropyrimidine;]	C4H2N2O4	142.001457	11/03/2244	metacyc	NA	NA
+HMDB02818	Alloxan	C4H2N2O4	142.00146	http://www.hmdb.ca/metabolites/HMDB02818	HMDB	NA	NA
+HMDB02818	Alloxan	C4H2N2O4	142.00146	HMDB02818	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0112	Glyceric acid [(M+Cl)]-	C3H6ClO4	142.003825	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0112	Glyceric acid [(M+Cl)]-	C3H6ClO4	142.003825	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02595	Thien-2-ylacetate	C6H6O2S	142.0089	NA	KEGG	NA	NA
+C03359	4-Chloro-2-methylphenol	C7H7ClO	142.0185	NA	KEGG	NA	NA
+C14331	4-Chloro-m-cresol	C7H7ClO	142.0185	NA	KEGG	NA	NA
+C15220	2-Chloro-4-methylphenol	C7H7ClO	142.0185	NA	KEGG	NA	NA
+MJ001823	4-Chloro-3-methylphenol 	C7H7ClO	142.018542	NA	MeJP	NA	NA
+MJ001824	7-Chloro-2,3-heptadien-5-yn-1-ol 	C7H7ClO	142.018542	NA	MeJP	NA	NA
+MJ001825	4-Hydroxy-2-mercapto-6-methylpyrimidine 	C5H6N2OS	142.020083	NA	MeJP	NA	NA
+C00682	2-Hydroxymuconate semialdehyde	C6H6O4	142.0266	NA	KEGG	NA	NA
+C02480	cis,cis-Muconate	C6H6O4	142.0266	NA	KEGG	NA	NA
+C03586	2-Oxo-2,3-dihydrofuran-5-acetate	C6H6O4	142.0266	NA	KEGG	NA	NA
+C03587	3beta-Hydroxysterol ester	C18H27O2R	142.0266	NA	KEGG	NA	NA
+C03647	cis,trans-Hexadienedioate	C6H6O4	142.0266	NA	KEGG	NA	NA
+C03743	1,2,3,5-Tetrahydroxybenzene	C6H6O4	142.0266	NA	KEGG	NA	NA
+C04105	2,5-Dihydro-5-oxofuran-2-acetate	C6H6O4	142.0266	NA	KEGG	NA	NA
+C06603	cis,trans-4-Hydroxymuconic semialdehyde	C6H6O4	142.0266	NA	KEGG	NA	NA
+C14516	Kojic acid	C6H6O4	142.0266	NA	KEGG	NA	NA
+C14610	(S)-5-Oxo-2,5-dihydrofuran-2-acetate	C6H6O4	142.0266	NA	KEGG	NA	NA
+MJ001826	2,5-Dihydro-4-methyl-5-oxo-3-furancarboxylic acid 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001827	2-Hydroxy-2-hydroxymethyl-4-cyclopentene-1,3-dione 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001828	3,5-Dihydroxy-2-methyl-4H-pyran-4-one 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001829	3,5-Dihydroxy-4H-pyran-4-one; Mono-Me ether 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001830	3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001831	4,5-Dihydroxy-6-methyl-2H-pyran-2-one 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001832	4-Hydroxy-6-hydroxymethyl-2H-pyran-2-one 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001833	5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001834	5-Hydroxymethyl-2-furancarboxylic acid 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001835	2,5-Dihydro-5-oxofuran-2-acetate 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001836	2-Oxo-2,3-dihydrofuran-5-acetate 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001837	cis,cis-Muconate 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001838	cis,trans-4-Hydroxymuconic semialdehyde 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MJ001839	2-Hydroxymuconate semialdehyde 	C6H6O4	142.026608	NA	MeJP	NA	NA
+MetaCyc00822	2-hydroxymuconate semialdehyde [2-hydroxymuconic semialdehyde;]	C6H6O4	142.026609	NA	metacyc	NA	NA
+MetaCyc00823	2,5-dihydro-5-oxofuran-2-acetate [(+)-4-Hydroxy-4-carboxymethylisocrotonolactone;2-Oxo-2,5-dihydrofuran-5-acetate;Muconolactone;5-oxo-2,5-dihydrofuran-2-acetate;4-Carboxymethyl-4-hydroxyisocrotonolactone;(S)-5-oxo-2,5-dihydrofuran-2-acetate;]	C6H6O4	142.026609	6666-46-2	metacyc	NA	NA
+MetaCyc00824	cis,cis-muconate [cis,cis-hexadienedioate;]	C6H6O4	142.026609	1119-72-8	metacyc	NA	NA
+MetaCyc00825	4-hydroxymuconic semialdehyde [cis,trans-4-hydroxymuconic semialdehyde;]	C6H6O4	142.026609	NA	metacyc	NA	NA
+MetaCyc00826	&beta;-ketoadipate-enol-lactone [5-oxo-4,5-dihydrofuran-2-acetate;4,5-dihydro-5-oxofuran-2-acetate;2-oxo-2,3-dihydrofuran-5-acetate;2,3-dihydro-2-oxofuran-5-acetate;&beta;-ketoadipate-enol-lactone;3-oxoadipate-enol-lactone;]	C6H6O4	142.026609	NA	metacyc	NA	NA
+MetaCyc00827	1,2,3,5-tetrahydroxybenzene []	C6H6O4	142.026609	634-94-6	metacyc	NA	NA
+HMDB02349	trans-trans-Muconic acid	C6H6O4	142.02661	http://www.hmdb.ca/metabolites/HMDB02349	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02349	trans-trans-Muconic acid	C6H6O4	142.02661	http://www.hmdb.ca/metabolites/HMDB02349	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02349	trans-trans-Muconic acid	C6H6O4	142.02661	http://www.hmdb.ca/metabolites/HMDB02349	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02349	trans-trans-Muconic acid	C6H6O4	142.02661	http://www.hmdb.ca/metabolites/HMDB02349	HMDB	NA	NA
+HMDB02432	Sumiki's acid	C6H6O4	142.02661	http://www.hmdb.ca/metabolites/HMDB02432	HMDB	NA	NA
+HMDB06331	cis,cis-Muconic acid	C6H6O4	142.02661	http://www.hmdb.ca/metabolites/HMDB06331	HMDB	NA	NA
+HMDB02349	trans-trans-Muconic acid	C6H6O4	142.02661	HMDB02349	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02432	Sumiki's acid	C6H6O4	142.02661	HMDB02432	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06331	cis,cis-Muconic acid	C6H6O4	142.02661	HMDB06331	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02349	trans-trans-Muconic acid	C6H6O4	142.026611	NA	HMDB2010	NA	NA
+HMDB02432	Sumiki's acid	C6H6O4	142.026611	NA	HMDB2010	NA	NA
+HMDB06331	cis,cis-Muconic acid	C6H6O4	142.026611	NA	HMDB2010	NA	NA
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.0378	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.0378	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.0378	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.0378	Wishlist	Inhousejuil11	NA	NA
+C03088	5-Hydroxymethyluracil	C5H6N2O3	142.0378	NA	KEGG	NA	NA
+C05133	4-Imidazolone-5-acetate	C5H6N2O3	142.0378	NA	KEGG	NA	NA
+C05281	5-Methylbarbiturate	C5H6N2O3	142.0378	NA	KEGG	NA	NA
+HMDB00469	5-Hydroxymethyluracil	C5H6N2O3	142.03784	http://www.hmdb.ca/metabolites/HMDB00469	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00469	5-Hydroxymethyluracil	C5H6N2O3	142.03784	http://www.hmdb.ca/metabolites/HMDB00469	HMDB	NA	NA
+HMDB00469	5-Hydroxymethyluracil	C5H6N2O3	142.03784	http://www.hmdb.ca/metabolites/HMDB00469	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00469	5-Hydroxymethyluracil	C5H6N2O3	142.03784	HMDB00469	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00469	5-Hydroxymethyluracil	C5H6N2O3	142.037842	NA	HMDB2010	NA	NA
+MJ001840	5-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione 	C5H6N2O3	142.037842	NA	MeJP	NA	NA
+MJ001841	4-Imidazolone-5-acetate 	C5H6N2O3	142.037842	NA	MeJP	NA	NA
+MetaCyc00828	5-methyl-barbiturate []	C5H6N2O3	142.037842	NA	metacyc	NA	NA
+MetaCyc00829	5-hydroxy-4-imidazoleacetate [(5-hydroxyimidazole)-4-acetate;]	C5H6N2O3	142.037842	NA	metacyc	NA	NA
+MetaCyc00830	2-hydroxy-4-carboxypyrimidine []	C5H6N2O3	142.037842	NA	metacyc	NA	NA
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	HMDB	NA	NA
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	Inhouse_PFEM	NA	NA
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR061	5-hydroxy-methyluracil	C5H6N2O3	142.037843	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0113	5-hydroxymethyluracil [(M-H)]-	C5H5N2O3	142.038425	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0113	5-hydroxymethyluracil [(M-H)]-	C5H5N2O3	142.038425	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR268	5hydroxyméthyluracil F1	NA	142.040975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR268	5hydroxymethyluracil F1	NA	142.040975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06215	naphthalene epoxide	C10H6O	142.04185	http://www.hmdb.ca/metabolites/HMDB06215	HMDB	NA	NA
+HMDB06215	naphthalene epoxide	C10H6O	142.04185	HMDB06215	PFEM_hmdb_metabocards_official	NA	NA
+MJ001842	1-Decene-4,6,8-triyn-3-one 	C10H6O	142.041864	NA	MeJP	NA	NA
+MJ001843	2-Decene-4,6,8-triyn-1-al 	C10H6O	142.041864	NA	MeJP	NA	NA
+MJ001844	4,5-Diamino-2,6-dihydroxypyrimidine 	C4H6N4O2	142.049075	NA	MeJP	NA	NA
+MetaCyc00831	2,5,6-trihydroxy-3-methylpyridine [5-methylpyridine-2,3,6-triol;]	C6H8N1O3	142.050418	NA	metacyc	NA	NA
+MJ001845	1H-Indole-3-carboxylic acid; Nitrile 	C9H6N2	142.053098	NA	MeJP	NA	NA
+JH108	N-acetyl-L-glutamine [M+H-HCOOH]+	NA	142.0583	1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH108	N-acetyl-L-glutamine [M+H-HCOOH]+	NA	142.0583	1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH108	N-acetyl-L-glutamine [M+H-HCOOH]+	NA	142.0583	1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH108	N-acetyl-L-glutamine [M+H-HCOOH]+	NA	142.0583	1.64	Inhousejuil11	NA	NA
+CJpos0256	Mono-methyl-adipate [(M+H)-(H2O)]+	C7H11O3	142.062475	C18rt(min)=6.27 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0257	3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C)	C7H11O3	142.062475	C18rt(min)=5.8 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0258	3-hydroxybenzyl alcohol [(M+H)+(H2O)]+	C7H11O3	142.062475	C18rt(min)=5.26 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0259	Pimelic acid 3-methyladipic acid [(M+H)-(H2O)]+	C7H11O3	142.062475	C18rt(min)=5.77 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0256	Mono-methyl-adipate [(M+H)-(H2O)]+	C7H11O3	142.062475	C18rt(min)=6.27 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0257	3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C)	C7H11O3	142.062475	C18rt(min)=5.8 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0258	3-hydroxybenzyl alcohol [(M+H)+(H2O)]+	C7H11O3	142.062475	C18rt(min)=5.26 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0259	Pimelic acid § 3-methyladipic acid [(M+H)-(H2O)]+	C7H11O3	142.062475	C18rt(min)=5.77 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001846	2,3-Dihydro-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001847	2,3-Dihydro-6-(hydroxymethyl)-2-methyl-4H-pyran-4-one 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001848	2,5-Furandimethanol; Mono-Me ether 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001849	2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001850	2-Methyl-3-oxocyclopentanecarboxylic acid 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001851	4-Hydroxy-2,5-dimethyl-3(2H)-furanone, Me ether 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001852	5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001853	6-Hydroxy-1,4-cycloheptanedione 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001854	Epoformin; 2?-Alcohol, 5-epimer 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001855	Epoformin; 3,4-Dihydro(3S-) 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MJ001856	Tetrahydro-4-hydroxy-4-vinyl-2H-pyran-2-one 	C7H10O3	142.062994	NA	MeJP	NA	NA
+MetaCyc00832	4-oxocyclohexanecarboxylate [4-oxocyclohexane-1-carboxylic acid;4-carboxycyclohexanone;]	C7H10O3	142.062994	NA	metacyc	NA	NA
+C03767	4-Oxocyclohexanecarboxylate	C7H10O3	142.063	NA	KEGG	NA	NA
+C03768	4-Substituted phenylacetate	C8H7O2R	142.063	NA	KEGG	NA	NA
+CJneg0114	2,2-dimethylglutaric acid [(M-H)-(H2O)]-	C7H9O3	142.063525	C18rt(min)=6.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0115	3-hydroxybenzyl alcohol [(M-H)+(H2O)]-	C7H9O3	142.063525	C18rt(min)=5.26 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0116	Hydroxybenzyl alcohol isomer [(M-H)+(H2O)]-	C7H9O3	142.063525	C18rt(min)=6.19 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0114	2,2-dimethylglutaric acid [(M-H)-(H2O)]-	C7H9O3	142.063525	C18rt(min)=6.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0115	3-hydroxybenzyl alcohol [(M-H)+(H2O)]-	C7H9O3	142.063525	C18rt(min)=5.26 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0116	Hydroxybenzyl alcohol isomer [(M-H)+(H2O)]-	C7H9O3	142.063525	C18rt(min)=6.19 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C06231	Ectoine	C6H10N2O2	142.0742	NA	KEGG	NA	NA
+C06232	Molybdate	C6H10N2O2	142.0742	NA	KEGG	NA	NA
+MJ001857	1,4,5,6-Tetrahydro-2-methyl-4(6)-pyrimidinecarboxylic acid 	C6H10N2O2	142.074227	NA	MeJP	NA	NA
+MJ001858	2-Oxo-1-pyrrolidineacetic acid; Amide 	C6H10N2O2	142.074227	NA	MeJP	NA	NA
+MJ001859	Pyrostatin A; 3-Deoxy 	C6H10N2O2	142.074227	NA	MeJP	NA	NA
+MetaCyc00833	ectoine [1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid;]	C6H10N2O2	142.074228	96702-03-3	metacyc	NA	NA
+MJ001860	1,3,9-Undecatriene-5,7-diyne 	C11H10	142.07825	NA	MeJP	NA	NA
+MJ001861	1-Undecene-5,7,9-triyne 	C11H10	142.07825	NA	MeJP	NA	NA
+C14082	1-Methylnaphthalene	C11H10	142.0783	NA	KEGG	NA	NA
+C14098	2-Methylnaphthalene	C11H10	142.0783	NA	KEGG	NA	NA
+MJ001862	1,3,3-Trimethyl-2,7-dioxabicyclo[2.2.1]heptane 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001863	1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001864	1-Oxaspiro[3.5]nonan-7-ol 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001865	3-Hexen-1-ol, Ac 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001866	3-Hexenoic acid, Et ester 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001867	3-Methyl-2-heptenoic acid 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001868	3-Methyl-3-heptenoic acid 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001869	3-Methyleneheptanoic acid 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001870	4-(1-Propenyl)-1,2-cyclopentanediol 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001871	7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]octane 	C8H14O2	142.099379	NA	MeJP	NA	NA
+MJ001872	Tetrahydro-3,5,6-trimethyl-2H-pyran-2-one 	C8H14O2	142.099379	NA	MeJP	NA	NA
+HMDB00392	2-Octenoic acid	C8H14O2	142.09938	http://www.hmdb.ca/metabolites/HMDB00392	HMDB	NA	NA
+HMDB01568	trans-2-Octenoic acid	C8H14O2	142.09938	http://www.hmdb.ca/metabolites/HMDB01568	HMDB	NA	NA
+HMDB00392	2-Octenoic acid	C8H14O2	142.09938	HMDB00392	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01568	trans-2-Octenoic acid	C8H14O2	142.09938	HMDB01568	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00392	2-Octenoic acid	C8H14O2	142.09938	NA	HMDB2010	NA	NA
+HMDB01568	trans-2-Octenoic acid	C8H14O2	142.09938	NA	HMDB2010	NA	NA
+C12104	Cycloheptanecarboxylic acid	C8H14O2	142.0994	NA	KEGG	NA	NA
+C12297	Cyclohexyl acetate	C8H14O2	142.0994	NA	KEGG	NA	NA
+C16648	2-n-Propyl-4-pentenoic acid	C8H14O2	142.0994	NA	KEGG	NA	NA
+C16653	2-n-Propyl-2-pentenoic acid	C8H14O2	142.0994	NA	KEGG	NA	NA
+C16654	2-n-Propyl-3-pentenoic acid	C8H14O2	142.0994	NA	KEGG	NA	NA
+CJpos0260	Aminobutyric acid (and isomers) [(2M+H)-(H2O)-(HCOOH)]+	C7H15ON2	142.110075	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0260	Aminobutyric acid (and isomers) [(2M+H)-(H2O)-(HCOOH)]+	C7H15ON2	142.110075	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11458	Crotono-betaine	C8H16NO	142.1232	NA	KEGG	NA	NA
+MJ001873	1-Nonen-3-ol 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001874	2,6-Dimethyl-6-hepten-1-ol 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001875	2-Nonanone 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001876	3-Nonanone 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001877	3-Nonen-1-ol 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001878	4-Nonanone 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001879	6-Methyl-3-octanone 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001880	6-Nonen-2-ol 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001881	Nonanal 	C9H18O	142.135765	NA	MeJP	NA	NA
+MJ001882	1-Pentene-1,5-diamine, N,N,N-Tri-Me 	C8H19N2(+)	142.146998	NA	MeJP	NA	NA
+MJ001883	Decane 	C10H22	142.17215	NA	MeJP	NA	NA
+7751	ACE inhibitor from shark meat hydrolysate	CF	142.534	MH2+	Inhouse_peptide	NA	peptide
+3094	gliadin 1 exorphin	PLG	142.5785	MH2+	Inhouse_peptide	NA	peptide
+3370	ACE inhibitor from beta-CN (177-179)	AVP	142.5785	MH2+	Inhouse_peptide	NA	peptide
+3521	ACE inhibitor	VAP	142.5785	MH2+	Inhouse_peptide	NA	peptide
+7506	ACE inhibitor from Alaskan pollack skin	GPL	142.5785	MH2+	Inhouse_peptide	NA	peptide
+7507	ACE inhibitor from Alaskan pollack skin	PGL	142.5785	MH2+	Inhouse_peptide	NA	peptide
+7508	ACE inhibitor from Alaskan pollack skin	LGP	142.5785	MH2+	Inhouse_peptide	NA	peptide
+7509	ACE inhibitor from Alaskan pollack skin	GLP	142.5785	MH2+	Inhouse_peptide	NA	peptide
+7510	ACE inhibitor from Alaskan pollack skin	PLG	142.5785	MH2+	Inhouse_peptide	NA	peptide
+7511	ACE inhibitor from Alaskan pollack skin	LPG	142.5785	MH2+	Inhouse_peptide	NA	peptide
+44	Skin gelatin	GPL	142.579	MH2+	Inhouse_peptide	NA	peptide
+MJ001884	2-Methyl-5-thiazolecarboxylic acid 	C5H5NO2S	143.004099	NA	MeJP	NA	NA
+MJ001885	4-Methyl-5-thiazolecarboxylic acid 	C5H5NO2S	143.004099	NA	MeJP	NA	NA
+MJ001886	5-Oxo-2(5H)-isoxazoleacetic acid 	C5H5NO4	143.021857	NA	MeJP	NA	NA
+JH114	Kynurenic acid [M+H-HCOOH]+	NA	143.03658	12.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH114	Kynurenic acid [M+H-HCOOH]+	NA	143.03658	12.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH114	Kynurenic acid [M+H-HCOOH]+	NA	143.03658	12.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH114	Kynurenic acid [M+H-HCOOH]+	NA	143.03658	12.5	Inhousejuil11	NA	NA
+MJ001887	5-(2-Hydroxyethyl)-4-methylthiazole 	C6H9NOS	143.040484	NA	MeJP	NA	NA
+MJ001888	3-(Methoxymethylene)-2-pyrrolidinethione 	C6H9NOS	143.040484	NA	MeJP	NA	NA
+MJ001889	5-(2-Propenyl)-2-oxazolidinethione 	C6H9NOS	143.040484	NA	MeJP	NA	NA
+MetaCyc00834	4-methyl-5-(&beta;-hydroxyethyl)thiazole [4-methyl-5-(2-hydroxyethyl)-thiazole;THZ;5-(2-Hydroxyethyl)-4-methylthiazole;HET;]	C6H9N1O1S1	143.040485	137-00-8	metacyc	NA	NA
+C04294	5-(2-Hydroxyethyl)-4-methylthiazole	C6H9NOS	143.0405	NA	KEGG	NA	NA
+C13738	Tet-glycine	C3H5N5O2	143.0443	NA	KEGG	NA	NA
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR435	Glucosamine F3	NA	143.055875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR435	Glucosamine F3	NA	143.055875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR435	Glucosamine F3	NA	143.055875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR435	Glucosamine F3	NA	143.055875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR435	Glucosamine F3	F3	143.055875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+2755	peptide regulating the stomach mucosal membrane activity	GPGG	143.0575	MH2+	Inhouse_peptide	NA	peptide
+3458	Prolyl endopeptidase inhibitor	GPGG	143.0575	MH2+	Inhouse_peptide	NA	peptide
+3462	NA	GPGG	143.0575	MH2+	Inhouse_peptide	NA	peptide
+CJpos0261	N2-acetylaminoadipic acid [(M+H)-(C2H4O2)]+	C6H10NO3	143.057675	C18rt(min)=4.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0262	2-aminoadipic acid [(M+H)-(H2O)]+	C6H10NO3	143.057675	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0261	N2-acetylaminoadipic acid [(M+H)-(C2H4O2)]+	C6H10NO3	143.057675	C18rt(min)=4.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0262	2-aminoadipic acid [(M+H)-(H2O)]+	C6H10NO3	143.057675	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C17357	2-Hydroxymethylclavam	C6H9NO3	143.0582	NA	KEGG	NA	NA
+HMDB00894	Vinylacetylglycine	C6H9NO3	143.058243	NA	HMDB2010	NA	NA
+MJ001890	1,2,3,6-Tetrahydro-3-hydroxy-2-pyridinecarboxylic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001891	2-Amino-3-formyl-3-pentenoic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001892	2-Amino-3-hydroxy-4-hexynoic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001893	2-Amino-6-hydroxy-4-hexynoic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001894	2-Hydroxymethylclavam 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001895	3,5,5-Trimethyl-2,4-oxazolidinedione 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001896	3-Amino-4-methyl-2-oxetanone, N-Ac 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001897	4-Oxo-2-piperidinecarboxylic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001898	5-Methyl-4-oxo-2-pyrrolidinecarboxylic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+MJ001899	7-Oxa-3-azabicyclo[4.1.0]heptane-6-carboxylic acid 	C6H9NO3	143.058243	NA	MeJP	NA	NA
+CJneg0117	N2-acetylaminoadipic acid [(M-H)-(C2H4O2)]-	C6H8NO3	143.058825	C18rt(min)=4.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0117	N2-acetylaminoadipic acid [(M-H)-(C2H4O2)]-	C6H8NO3	143.058825	C18rt(min)=4.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0263	3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C)	C613CH11O3	143.065775	C18rt(min)=5.8 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0263	3,3-Dimethylglutaric acid [(M+H)-(H2O)]+ (13C)	C613CH11O3	143.065775	C18rt(min)=5.8 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0264	Methylcytosine isomers [(M+H)+(H2O)]+	C5H10N3O2	143.068975	C18rt(min)=1 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0264	Methylcytosine isomers [(M+H)+(H2O)]+	C5H10N3O2	143.068975	C18rt(min)=1 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001900	2-Amino-4,5-dihydro-1H-imidazole-4-acetic acid 	C5H9N3O2	143.069476	NA	MeJP	NA	NA
+CJpos0265	Tryptamine [(M+H)-(NH3)]+	C10H10N	143.072975	C18rt(min)=5.58 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0265	Tryptamine [(M+H)-(NH3)]+	C10H10N	143.072975	C18rt(min)=5.58 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ001901	2-Methylquinoline 	C10H9N	143.073499	NA	MeJP	NA	NA
+MetaCyc00835	quinaldine [2-methylquinoline;]	C10H9N1	143.073499	NA	metacyc	NA	NA
+MetaCyc00836	3-methylquinoline [3-methyl-1-benzazine;&beta;-methylquinoline;]	C10H9N1	143.073499	612-58-8	metacyc	NA	NA
+C02227	2-Naphthylamine	C10H9N	143.0735	NA	KEGG	NA	NA
+C14790	1-Naphthylamine	C10H9N	143.0735	NA	KEGG	NA	NA
+MJ001902	1-Isothiocyanato-4-methylpentane 	C7H13NS	143.07687	NA	MeJP	NA	NA
+MJ001903	1-Isothiocyanatohexane 	C7H13NS	143.07687	NA	MeJP	NA	NA
+MJ001904	4,5-Dihydro-2-(1-methylpropyl)thiazole 	C7H13NS	143.07687	NA	MeJP	NA	NA
+CJpos0266	Valeric acid isomer [(M+H)+(CH3CN)]+	C7H14NO2	143.094075	C18rt(min)=5.14 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0267	Stachydrine (Proline betaine) [(M+H)]+	C7H14NO2	143.094075	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0266	Valeric acid isomer [(M+H)+(CH3CN)]+	C7H14NO2	143.094075	C18rt(min)=5.14 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0267	Stachydrine (Proline betaine) [(M+H)]+	C7H14NO2	143.094075	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C04114	4-(Trimethylammonio)but-2-enoate	C7H13NO2	143.0946	NA	KEGG	NA	NA
+C10172	Stachydrine	C7H13NO2	143.0946	NA	KEGG	NA	NA
+MJ001905	2-Amino-3-cyclopropylbutanoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001906	2-Amino-3-methylenehexanoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001907	2-Amino-3-pentanone, N-Ac 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001908	2-Amino-4-methyl-4-hexenoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001909	2-Amino-4-methyl-5-hexenoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001910	2-Amino-4-methylenehexanoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001911	2-Amino-5-methyl-4-hexenoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001912	2-Amino-5-methyl-5-hexenoic acid 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001913	3-Pyrrolidinecarboxylic acid; Dimethylbetaine 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001914	4-tert-Butyl-2-oxazolidinone 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001915	8-Azabicyclo[3.2.1]octane-2,3-diol 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001916	8-Azabicyclo[3.2.1]octane-2,6-diol 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001917	8-Azabicyclo[3.2.1]octane-2,7-diol 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001918	8-Azabicyclo[3.2.1]octane-3,7-diol 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001919	Senecio doria Necine base 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MJ001920	Stachydrine 	C7H13NO2	143.094628	NA	MeJP	NA	NA
+MetaCyc00837	crotono-betaine [4-(trimethylammonio)but-2-enoate;]	C7H13N1O2	143.094629	6666-46-2	metacyc	NA	NA
+MetaCyc00838	stachydrine [proline betaine;N,N-dimethyl proline;]	C7H13N1O2	143.094629	NA	metacyc	NA	NA
+HMDB04827	Proline betaine	C7H13NO2	143.094635	NA	HMDB2010	NA	NA
+HMDB04827	Proline betaine	C7H13NO2	143.09464	http://www.hmdb.ca/metabolites/HMDB04827	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04827	Proline betaine	C7H13NO2	143.09464	http://www.hmdb.ca/metabolites/HMDB04827	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04827	Proline betaine	C7H13NO2	143.09464	http://www.hmdb.ca/metabolites/HMDB04827	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04827	Proline betaine	C7H13NO2	143.09464	http://www.hmdb.ca/metabolites/HMDB04827	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04827	Proline betaine	C7H13NO2	143.09464	http://www.hmdb.ca/metabolites/HMDB04827	HMDB	NA	NA
+HMDB04827	Proline betaine	C7H13NO2	143.09464	  ;SYN:H-Ala-Pro-Gly-Pro-Arg-OH; APGPR; N2-[1-[N-(1-L-alanyl-L-prolyl)glycyl]-L-prolyl] L-Arginine; L-alanyl-L-prolylglycyl-L-prolyl-L-ArginineH2Blood	Inhouse_peptide	NA	peptide
+HMDB04827	Proline betaine	C7H13NO2	143.09464	http://www.hmdb.ca/metabolites/HMDB04827	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04827	Proline betaine	C7H13NO2	143.09464	HMDB04827	PFEM_hmdb_metabocards_official	NA	NA
+MJ001921	(4-Hydroxy-3-methyl-2-butenyl)guanidine 	C6H13N3O	143.105862	NA	MeJP	NA	NA
+C10152	(-)-Hygroline	C8H17NO	143.131	NA	KEGG	NA	NA
+C10168	Pseudoconhydrine	C8H17NO	143.131	NA	KEGG	NA	NA
+MJ001922	2-Ethyl-3-methylpentanoic acid; Amide 	C8H17NO	143.131014	NA	MeJP	NA	NA
+MJ001923	2-Propylpentanoic acid; Amide 	C8H17NO	143.131014	NA	MeJP	NA	NA
+MJ001924	6-Propyl-3-piperidinol 	C8H17NO	143.131014	NA	MeJP	NA	NA
+MJ001925	Conhydrine 	C8H17NO	143.131014	NA	MeJP	NA	NA
+MJ001926	Hygroline 	C8H17NO	143.131014	NA	MeJP	NA	NA
+MJ001927	Sedridine 	C8H17NO	143.131014	NA	MeJP	NA	NA
+C15853	Dehydrospermidine	C7H17N3	143.1422	NA	KEGG	NA	NA
+C15854	N-(4-Aminobutylidene)-[eIF5A-precursor]-lysine	C11H20N4O2R2	143.1422	NA	KEGG	NA	NA
+C15855	Apelin-13	C11H20N4O2R2	143.1422	NA	KEGG	NA	NA
+C15856	Apelin-36	C11H20N4O2R2	143.1422	NA	KEGG	NA	NA
+HMDB02089	N-Ribosylhistidine	C11H17N3O6	143.5558625	MH2+	Inhouse_peptide	NA	peptide
+3406	ACE inhibitor	TAP	143.568	MH2+	Inhouse_peptide	NA	peptide
+7635	ACE inhibitor from k-CN (fr, 51-53)	VAV	143.5865	MH2+	Inhouse_peptide	NA	peptide
+3257	beta-lactokinin	RL	143.5925	MH2+	Inhouse_peptide	NA	peptide
+3258	beta-lactokinin	IR	143.5925	MH2+	Inhouse_peptide	NA	peptide
+8215	Antioxidative peptide	IR	143.5925	MH2+	Inhouse_peptide	NA	peptide
+8246	renin inhibitor	IR	143.5925	MH2+	Inhouse_peptide	NA	peptide
+8247	CaMPDE inhibitor	IR	143.5925	MH2+	Inhouse_peptide	NA	peptide
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	143.604828	MH2+	Inhouse_peptide	NA	peptide
+MJ001928	Selenium sulfides; Selenium sulfide (SeS2) 	S2Se	143.860663	NA	MeJP	NA	NA
+MJ001929	Zinc sulfite 	O3SZn	143.885961	NA	MeJP	NA	NA
+MJ001930	Dihydroxyaluminium sodium carbonate 	CH2AlNaO5	143.961531	NA	MeJP	NA	NA
+MetaCyc00839	2-chloroethylphosphonate [2-chloroethylphosphonic acid;2-CEPA;]	C2H6O3P1CL1	143.974308	NA	metacyc	NA	NA
+C02375	4-Chlorocatechol	C6H5ClO2	143.9978	NA	KEGG	NA	NA
+C05618	3-Chlorocatechol	C6H5ClO2	143.9978	NA	KEGG	NA	NA
+C06601	Chlorohydroquinone	C6H5ClO2	143.9978	NA	KEGG	NA	NA
+MJ001931	3-Chlorocatechol 	C6H5ClO2	143.997807	NA	MeJP	NA	NA
+MJ001932	4-Chlorocatechol 	C6H5ClO2	143.997807	NA	MeJP	NA	NA
+MJ001933	Chlorohydroquinone 	C6H5ClO2	143.997807	NA	MeJP	NA	NA
+MetaCyc00840	chlorohydroquinone [CHQ;]	C6H5O2CL1	143.997807	615-67-8	metacyc	NA	NA
+MetaCyc00841	4-chlororesorcinol []	C6H5O2CL1	143.997807	NA	metacyc	NA	NA
+MJ001934	Dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione 	C4H4N2O2S	143.999348	NA	MeJP	NA	NA
+MJ001935	3,4-Dihydro-3-vinyl-1,2-dithiin 	C6H8S2	144.006741	NA	MeJP	NA	NA
+JH097	Caffeic acid [M+H-2H2O]+	NA	144.0206	12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH219	Chlorogenic acid [163-H2O]+	NA	144.0206	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH097	Caffeic acid [M+H-2H2O]+	NA	144.0206	12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH219	Chlorogenic acid [163-H2O]+	NA	144.0206	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH097	Caffeic acid [M+H-2H2O]+	NA	144.0206	12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH219	Chlorogenic acid [163-H2O]+	NA	144.0206	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH097	Caffeic acid [M+H-2H2O]+	NA	144.0206	12.21	Inhousejuil11	NA	NA
+JH219	Chlorogenic acid [163-H2O]+	NA	144.0206	11.5	Inhousejuil11	NA	NA
+MJ001936	2-Nonene-4,6,8-triynoic acid 	C9H4O2	144.021129	NA	MeJP	NA	NA
+JH125	Ferulic acid [M+H-OCH3-OH]	NA	144.02115	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH125	Ferulic acid [M+H-OCH3-OH]	NA	144.02115	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH125	Ferulic acid [M+H-OCH3-OH]	NA	144.02115	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH125	Ferulic acid [M+H-OCH3-OH]	NA	144.02115	13.89	Inhousejuil11	NA	NA
+MJ001937	Ethchlorovynol 	C7H9ClO	144.034192	NA	MeJP	NA	NA
+C07833	Ethchlorvynol	C7H9ClO	144.0342	NA	KEGG	NA	NA
+HMDB00393	3-Hexenedioic acid	C6H8O4	144.042252	NA	HMDB2010	NA	NA
+HMDB00522	3-Methylglutaconic acid	C6H8O4	144.042252	NA	HMDB2010	NA	NA
+HMDB02266	(E)-2-Methylglutaconic acid	C6H8O4	144.042252	NA	HMDB2010	NA	NA
+HMDB13311	trans-2-Hexenedioic acid	C6H8O4	144.042252	NA	HMDB2010	NA	NA
+MJ001938	2-Methyleneglutarate 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001939	Dimethylmaleate 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001940	Methylitaconate 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001941	1,1-Cyclobutanedicarboxylic acid 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001942	2,3-Dihydro-3,6-dihydroxy-2-methyl-4H-pyran-4-one 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001943	2,3-Dihydro-5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001944	2-Hydroxy-2-(hydroxymethyl)-2H-pyran-3(6H)-one 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001945	3-Methyl-2-pentenedioic acid 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001946	4,5-Dihydroxy-5-hydroxymethyl-2-cyclopenten-1-one 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MJ001947	Tetrahydro-5-oxo-3-furanacetic acid 	C6H8O4	144.042258	NA	MeJP	NA	NA
+MetaCyc00842	triacetate []	C6H8O4	144.042259	2140-49-0	metacyc	NA	NA
+MetaCyc00843	dimethylmaleate [2,3-dimethylmaleic acid;]	C6H8O4	144.042259	624-48-6	metacyc	NA	NA
+MetaCyc00844	2-methylene-3-methylsuccinate [2CH2-3CH3-SUCC;2-CH2-3-CH3-succinate;methylitaconate;]	C6H8O4	144.042259	NA	metacyc	NA	NA
+MetaCyc00845	&alpha;-methylene glutarate [2-CH2-glutarate;2-methyleneglutarate;]	C6H8O4	144.042259	3621-79-2	metacyc	NA	NA
+HMDB00393	3-Hexenedioic acid	C6H8O4	144.04227	http://www.hmdb.ca/metabolites/HMDB00393	HMDB	NA	NA
+HMDB00522	3-Methylglutaconic acid	C6H8O4	144.04227	http://www.hmdb.ca/metabolites/HMDB00522	HMDB	NA	NA
+HMDB02266	(E)-2-Methylglutaconic acid	C6H8O4	144.04227	http://www.hmdb.ca/metabolites/HMDB02266	HMDB	NA	NA
+HMDB03520	2-Methylglutaconic acid	C6H8O4	144.04227	http://www.hmdb.ca/metabolites/HMDB03520	HMDB	NA	NA
+HMDB00393	3-Hexenedioic acid	C6H8O4	144.04227	HMDB00393	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00522	3-Methylglutaconic acid	C6H8O4	144.04227	HMDB00522	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02266	(E)-2-Methylglutaconic acid	C6H8O4	144.04227	HMDB02266	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03520	2-Methylglutaconic acid	C6H8O4	144.04227	HMDB03520	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0268	Acetylcarnitine (and isomer) [(M+H)-(NC3H9)]+	C6H9O4	144.042275	C18rt(min)=1.05 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0268	Acetylcarnitine (and isomer) [(M+H)-(NC3H9)]+	C6H9O4	144.042275	C18rt(min)=1.05 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00922	2,3-Dimethylmaleate	C6H8O4	144.0423	NA	KEGG	NA	NA
+C00923	Ferricytochrome	C6H8O4	144.0423	NA	KEGG	NA	NA
+C00924	Ferrocytochrome	C6H8O4	144.0423	NA	KEGG	NA	NA
+C00925	Heparan sulfate	C6H8O4	144.0423	NA	KEGG	NA	NA
+C01757	Triacetate	C6H8O4	144.0423	NA	KEGG	NA	NA
+C01758	Troponin I	C6H8O4	144.0423	NA	KEGG	NA	NA
+C02295	Methylitaconate	C6H8O4	144.0423	NA	KEGG	NA	NA
+C02297	N-Acetyldiamine	C2H6N2O	144.0423	NA	KEGG	NA	NA
+C02930	2-Methyleneglutarate	C6H8O4	144.0423	NA	KEGG	NA	NA
+MJ001948	2,3,4,5-Tetrahydro-4-hydroxy-3-pyridazinecarboxylic acid 	C5H8N2O3	144.053492	NA	MeJP	NA	NA
+C11713	beta-Naphthol	C10H8O	144.0575	NA	KEGG	NA	NA
+C11714	alpha-Naphthol	C10H8O	144.0575	NA	KEGG	NA	NA
+C14786	(1R,2S)-Naphthalene 1,2-oxide	C10H8O	144.0575	NA	KEGG	NA	NA
+C14787	(1S,2R)-Naphthalene 1,2-oxide	C10H8O	144.0575	NA	KEGG	NA	NA
+HMDB06215	Naphthalene epoxide	C10H8O	144.05751	NA	HMDB2010	NA	NA
+HMDB12138	1-Naphthol	C10H8O	144.05751	NA	HMDB2010	NA	NA
+HMDB12322	2-Naphthol	C10H8O	144.05751	NA	HMDB2010	NA	NA
+MJ001949	2,8-Decadiene-4,6-diyn-1-al 	C10H8O	144.057514	NA	MeJP	NA	NA
+MJ001950	2-Decene-4,6,8-triyn-1-ol 	C10H8O	144.057514	NA	MeJP	NA	NA
+MJ001951	2-Naphthol 	C10H8O	144.057514	NA	MeJP	NA	NA
+MetaCyc00846	1-naphthol [&alpha;-naphthol;]	C10H8O1	144.057515	90-15-3	metacyc	NA	NA
+C13720	alpha-EMTBL	C7H12OS	144.0609	NA	KEGG	NA	NA
+HMDB03681	4-Acetamidobutanoic acid	C6H10NO3	144.06607	http://www.hmdb.ca/metabolites/HMDB03681	HMDB	NA	NA
+HMDB03681	4-Acetamidobutanoic acid	C6H10NO3	144.06607	HMDB03681	PFEM_hmdb_metabocards_official	NA	NA
+MJ001952	2-Aminoquinoline 	C9H8N2	144.068748	NA	MeJP	NA	NA
+MJ001953	4-Methylquinazoline 	C9H8N2	144.068748	NA	MeJP	NA	NA
+MJ001954	1-Isopropyl-2-imidazolidinethione 	C6H12N2S	144.072119	NA	MeJP	NA	NA
+CJpos0269	Tryptamine [(M+H)-(NH3)]+ (13C)	C913CH10N	144.076275	C18rt(min)=5.58 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0269	Tryptamine [(M+H)-(NH3)]+ (13C)	C913CH10N	144.076275	C18rt(min)=5.58 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C04404	trans-4-Hydroxycyclohexanecarboxylate	C7H12O3	144.0786	NA	KEGG	NA	NA
+C16590	7-Oxoheptanoic acid	C7H12O3	144.0786	NA	KEGG	NA	NA
+HMDB01988	4-Hydroxycyclohexylcarboxylic acid	C7H12O3	144.07864	http://www.hmdb.ca/metabolites/HMDB01988	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01988	4-Hydroxycyclohexylcarboxylic acid	C7H12O3	144.07864	http://www.hmdb.ca/metabolites/HMDB01988	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01988	4-Hydroxycyclohexylcarboxylic acid	C7H12O3	144.07864	http://www.hmdb.ca/metabolites/HMDB01988	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01988	4-Hydroxycyclohexylcarboxylic acid	C7H12O3	144.07864	http://www.hmdb.ca/metabolites/HMDB01988	HMDB	NA	NA
+HMDB01988	4-Hydroxycyclohexylcarboxylic acid	C7H12O3	144.07864	HMDB01988	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01988	4-Hydroxycyclohexylcarboxylic acid	C7H12O3	144.078644	NA	HMDB2010	NA	NA
+MJ001955	4-Ethyldihydro-3-hydroxy-4-methyl-2(3H)-furanone 	C7H12O3	144.078644	NA	MeJP	NA	NA
+MJ001956	5-Ethyltetrahydro-4-hydroxy-2H-pyran-2-one 	C7H12O3	144.078644	NA	MeJP	NA	NA
+MJ001957	Botryodiplodin 	C7H12O3	144.078644	NA	MeJP	NA	NA
+MJ001958	Dihydro-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone 	C7H12O3	144.078644	NA	MeJP	NA	NA
+MJ001959	Tetrahydro-5-hydroxy-6,6-dimethyl-2H-pyran-2-one 	C7H12O3	144.078644	NA	MeJP	NA	NA
+MetaCyc00847	ethyl-2-methylacetoacetate []	C7H12O3	144.078644	NA	metacyc	NA	NA
+MetaCyc00848	7-oxoheptanoate [7-oxoheptanoic acid;7-oxoheptanoate;]	C7H12O3	144.078644	NA	metacyc	NA	NA
+MetaCyc00849	trans-4-hydroxycyclohexanecarboxylate [4-hydroxycyclohexanecarboxylate;4-hydroxycyclohexane-1-carboxylic acid;]	C7H12O3	144.078644	NA	metacyc	NA	NA
+MJ001960	2,6-Diamino-2,3,4,6-tetradeoxy-glycero-hex-4-enopyranose 	C6H12N2O2	144.089877	NA	MeJP	NA	NA
+MJ001961	2,6-Diamino-4-hexenoic acid 	C6H12N2O2	144.089877	NA	MeJP	NA	NA
+MJ001962	2-Methoxy-1-pyrrolidinecarboxamide 	C6H12N2O2	144.089877	NA	MeJP	NA	NA
+MJ001963	4-Amino-2-piperidinecarboxylic acid 	C6H12N2O2	144.089877	NA	MeJP	NA	NA
+MJ001964	Geomycin 	C6H12N2O2	144.089877	NA	MeJP	NA	NA
+MJ001965	Hexanedioic acid; Diamide 	C6H12N2O2	144.089877	NA	MeJP	NA	NA
+C16837	4-Amino-1-piperidinecarboxylic acid	C6H12N2O2	144.0899	NA	KEGG	NA	NA
+MJ001966	1,9-Undecadiene-5,7-diyne 	C11H12	144.0939	NA	MeJP	NA	NA
+MJ001967	2-Pentylthietane 	C8H16S	144.097271	NA	MeJP	NA	NA
+CJpos0270	Stachydrine (Proline betaine) [(M+H)]+ (13C)	C613CH14NO2	144.097475	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0270	Stachydrine (Proline betaine) [(M+H)]+ (13C)	C613CH14NO2	144.097475	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03078	4-Guanidinobutanamide	C5H12N4O	144.1011	NA	KEGG	NA	NA
+MJ001968	4-Guanidinobutanamide 	C5H12N4O	144.101111	NA	MeJP	NA	NA
+MJ001969	4-Guanidinobutanoic acid; Amide 	C5H12N4O	144.101111	NA	MeJP	NA	NA
+MetaCyc00850	4-guanidinobutyramide [4-guanidinobutanamide;4-guanidobutanamide;4-guanido-butyramide;&gamma;-guanidinobutyramide;]	C5H12N4O1	144.101111	NA	metacyc	NA	NA
+C06423	Octanoic acid	C8H16O2	144.115	NA	KEGG	NA	NA
+C07185	Valproic acid	C8H16O2	144.115	NA	KEGG	NA	NA
+C07186	Transferred to D00400	C8H16O2	144.115	NA	KEGG	NA	NA
+MJ001970	2-Ethylhexanoic acid 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001971	2-Hydroxy-3-octanone 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001972	2-Methylpropanoic acid; 2-Methylpropyl ester 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001973	2-Methylpropanoic acid; Butyl ester 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001974	2-Propylpentanoic acid 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001975	3-Ethyl-4-methylpentanoic acid 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001976	3-Hydroxy-2-octanone 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001977	5-Hydroxy-4-methyl-3-heptanone 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001978	5-Methylhexanoic acid; Me ester 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001979	5-Octene-1,3-diol 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001980	6-Methylheptanoic acid 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001981	Hexanoic acid; Et ester 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001982	Octanoic acid 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001983	Pityol 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MJ001984	Tetrahydro-2,2,6-trimethyl-2H-pyran-3-ol 	C8H16O2	144.115029	NA	MeJP	NA	NA
+MetaCyc00851	octanoate [octanoate (n-C8:0);C-8 acid;n-caprylic acid;caprylic acid;capryloate;1-heptanecarboxylic acid;neo-fat 8;octanoic acid;n-octanoic acid;n-octic acid;octoic acid;n-octylic acid;]	C8H16O2	144.11503	124-07-2	metacyc	NA	NA
+LABER050	caprylic acid	NA	144.115036	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER050	caprylic acid	NA	144.115036	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER050	caprylic acid	NA	144.115036	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER050	caprylic acid	NA	144.115036	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER050	caprylic acid	NA	144.115036	NA	HMDB	NA	NA
+HMDB00482	Caprylic acid	C8H16O2	144.115036	NA	HMDB2010	NA	NA
+HMDB01877	Valproic acid	C8H16O2	144.115036	NA	HMDB2010	NA	NA
+LABER050	caprylic acid	NA	144.115036	NA	Inhouse_PFEM	NA	NA
+LABER050	caprylic acid	NA	144.115036	NA	Inhousejuil11	NA	NA
+LABER050	caprylic acid	NA	144.115036	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER050	caprylic acid	NA	144.115036	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00482	Caprylic acid	C8H16O2	144.11504	http://www.hmdb.ca/metabolites/HMDB00482	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01877	Valproic acid	C8H16O2	144.11504	http://www.hmdb.ca/metabolites/HMDB01877	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00482	Caprylic acid	C8H16O2	144.11504	http://www.hmdb.ca/metabolites/HMDB00482	HMDB	NA	NA
+HMDB01877	Valproic acid	C8H16O2	144.11504	http://www.hmdb.ca/metabolites/HMDB01877	HMDB	NA	NA
+HMDB00482	Caprylic acid	C8H16O2	144.11504	http://www.hmdb.ca/metabolites/HMDB00482	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01877	Valproic acid	C8H16O2	144.11504	http://www.hmdb.ca/metabolites/HMDB01877	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00482	Caprylic acid	C8H16O2	144.11504	HMDB00482	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01877	Valproic acid	C8H16O2	144.11504	HMDB01877	PFEM_hmdb_metabocards_official	NA	NA
+MJ001985	2-(Pentylamino)acetamide 	C7H16N2O	144.126263	NA	MeJP	NA	NA
+MetaCyc00852	1-(3-aminopropyl)-4-aminobutanal []	C7H16N2O1	144.126263	NA	metacyc	NA	NA
+HMDB02284	N-Acetylcadaverine	C7H16N2O	144.126266	NA	HMDB2010	NA	NA
+HMDB12135	1-(3-Aminopropyl)-4-aminobutanal	C7H16N2O	144.126266	NA	HMDB2010	NA	NA
+HMDB02284	N-Acetylcadaverine	C7H16N2O	144.12627	http://www.hmdb.ca/metabolites/HMDB02284	HMDB	NA	NA
+HMDB02284	N-Acetylcadaverine	C7H16N2O	144.12627	HMDB02284	PFEM_hmdb_metabocards_official	NA	NA
+MJ001986	(4-Aminobutyl)guanidine; N6-Me 	C6H16N4	144.137496	NA	MeJP	NA	NA
+MJ001987	(5-Aminopentyl)guanidine 	C6H16N4	144.137496	NA	MeJP	NA	NA
+C11459	Butyro-betaine	C8H18NO	144.1388	NA	KEGG	NA	NA
+C14696	1-Nonanol	C9H20O	144.1514	NA	KEGG	NA	NA
+MJ001988	1-Nonanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001989	2-Methyl-4-octanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001990	2-Nonanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001991	3-Methyl-4-octanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001992	3-Nonanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001993	4-Nonanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001994	5-Methyl-4-octanol 	C9H20O	144.151415	NA	MeJP	NA	NA
+MJ001995	(1-Methylheptyl)hydrazine 	C8H20N2	144.162648	NA	MeJP	NA	NA
+MJ001996	N,N,N',N'-Tetramethyl-1,4-butanediamine 	C8H20N2	144.162648	NA	MeJP	NA	NA
+MetaCyc00853	1,8-diaminooctane []	C8H20N2	144.162649	NA	metacyc	NA	NA
+MJ001997	2-Amino-5-nitrothiazole 	C3H3N3O2S	144.994597	NA	MeJP	NA	NA
+C06560	Deisopropyldeethylatrazine	C3H4ClN5	145.0155	NA	KEGG	NA	NA
+MJ001998	6-Octene-2,4-diynedioic acid, 1-Mononitrile 	C8H3NO2	145.016378	NA	MeJP	NA	NA
+C04445	3,4-Dehydrothiomorpholine-3-carboxylate	C5H7NO2S	145.0197	NA	KEGG	NA	NA
+MetaCyc00854	3,4-dehydrothiomorpholine-3-carboxylate [5,6-dihydro-2H-1,4-thiazine-3-carboxylate;]	C5H7N1O2S1	145.019749	NA	metacyc	NA	NA
+C00940	2-Oxoglutaramate	C5H7NO4	145.0375	NA	KEGG	NA	NA
+C05572	4-Oxoglutaramate	C5H7NO4	145.0375	NA	KEGG	NA	NA
+HMDB01552	2-Keto-glutaramic acid	C5H7NO4	145.037506	NA	HMDB2010	NA	NA
+MJ001999	2-Oxoglutaramate 	C5H7NO4	145.037507	NA	MeJP	NA	NA
+MJ002000	4-Oxoglutaramate 	C5H7NO4	145.037507	NA	MeJP	NA	NA
+MetaCyc00855	4-oxoglutaramate []	C5H7N1O4	145.037508	NA	metacyc	NA	NA
+MetaCyc00856	2-keto-glutaramate [2-oxoglutaramate;]	C5H7N1O4	145.037508	18465-19-5	metacyc	NA	NA
+HMDB01552	2-Keto-glutaramic acid	C5H7NO4	145.03751	http://www.hmdb.ca/metabolites/HMDB01552	HMDB	NA	NA
+HMDB01552	2-Keto-glutaramic acid	C5H7NO4	145.03751	HMDB01552	PFEM_hmdb_metabocards_official	NA	NA
+MJ002001	Quisqualamine 	C4H7N3O3	145.048741	NA	MeJP	NA	NA
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR363	Tryptophan F4	NA	145.049975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR363	Tryptophan F4	NA	145.049975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR363	Tryptophan F4	NA	145.049975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR363	Tryptophan F4	NA	145.049975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR363	Tryptophan F4	F4	145.049975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0271	5-hydroxyindoleacetic acid [(M+H)-(HCOOH)]+	C9H8NO	145.052175	C18rt(min)=5.68 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0271	5-hydroxyindoleacetic acid [(M+H)-(HCOOH)]+	C9H8NO	145.052175	C18rt(min)=5.68 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002002	1H-Indole-3-carboxaldehyde 	C9H7NO	145.052763	NA	MeJP	NA	NA
+MJ002003	1H-Indole-7-carboxaldehyde 	C9H7NO	145.052763	NA	MeJP	NA	NA
+MJ002004	8-Quinolinol 	C9H7NO	145.052763	NA	MeJP	NA	NA
+MetaCyc00857	quinolin-4-ol []	C9H7N1O1	145.052764	611-36-9	metacyc	NA	NA
+MetaCyc00858	quinolin-2(1H)-one [quinolin-2-one;]	C9H7N1O1	145.052764	NA	metacyc	NA	NA
+MetaCyc00859	quinolin-2-ol []	C9H7N1O1	145.052764	59-31-4	metacyc	NA	NA
+MetaCyc00860	isoquinolin-12H-one []	C9H7N1O1	145.052764	491-30-5	metacyc	NA	NA
+MetaCyc00861	3-methyleneoxindole [3-methylene-1H-indol-2-one;]	C9H7N1O1	145.052764	NA	metacyc	NA	NA
+MetaCyc00862	indole-3-carboxaldehyde []	C9H7N1O1	145.052764	NA	metacyc	NA	NA
+C02796	3-Methyleneoxindole	C9H7NO	145.0528	NA	KEGG	NA	NA
+C06324	1(2H)-Isoquinolinone	C9H7NO	145.0528	NA	KEGG	NA	NA
+C06338	Quinolin-2-ol	C9H7NO	145.0528	NA	KEGG	NA	NA
+C06343	Quinolin-4-ol	C9H7NO	145.0528	NA	KEGG	NA	NA
+C06415	2(1H)-Quinolinone	C9H7NO	145.0528	NA	KEGG	NA	NA
+C08493	Indole-3-carboxaldehyde	C9H7NO	145.0528	NA	KEGG	NA	NA
+CJneg0118	kynurenic acid [(M-H)-(CO2)]-	C9H6NO	145.053325	C18rt(min)=5.39 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0118	kynurenic acid [(M-H)-(CO2)]-	C9H6NO	145.053325	C18rt(min)=5.39 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002005	5-Ethyl-5-methyl-2-oxazolidinethione 	C6H11NOS	145.056134	NA	MeJP	NA	NA
+HMDB00052	Argininosuccinic acid	C10H18N4O6	145.06131	MH2+	Inhouse_peptide	NA	peptide
+CJpos0272	4-Acetamidobutanoic acid [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=2.91 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0273	4-Acetamidobutanoic acid isomer [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=1.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0274	N-Isobutyrylglycine [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=4 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0275	4-Acetamidobutanoic acid [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=1.02 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0276	4-Aminophenol (and isomers) [(M+H)+2(H2O)]+	C6H12NO3	145.073375	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0272	4-Acetamidobutanoic acid [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=2.91 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0273	4-Acetamidobutanoic acid isomer [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=1.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0274	N-Isobutyrylglycine [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=4 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0275	4-Acetamidobutanoic acid [(M+H)]+	C6H12NO3	145.073375	C18rt(min)=1.02 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0276	4-Aminophenol (and isomers) [(M+H)+2(H2O)]+	C6H12NO3	145.073375	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00730	Isobutyrylglycine	C6H11NO3	145.07388	http://www.hmdb.ca/metabolites/HMDB00730	HMDB	NA	NA
+HMDB00808	N-Butyrylglycine	C6H11NO3	145.07388	http://www.hmdb.ca/metabolites/HMDB00808	HMDB	NA	NA
+HMDB01263	Allysine	C6H11NO3	145.07388	http://www.hmdb.ca/metabolites/HMDB01263	HMDB	NA	NA
+HMDB00730	Isobutyrylglycine	C6H11NO3	145.07388	HMDB00730	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00808	N-Butyrylglycine	C6H11NO3	145.07388	HMDB00808	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01263	Allysine	C6H11NO3	145.07388	HMDB01263	PFEM_hmdb_metabocards_official	NA	NA
+MJ002006	(S)-5-Amino-3-oxohexanoate 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002007	2-Amino-3-oxohexanoate 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002008	4-Acetamidobutanoate 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002009	4-Methylene-L-glutamate 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002010	6-Amino-2-oxohexanoate 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002011	L-2-Aminoadipate 6-semialdehyde 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002012	1-Amino-3-(hydroxymethyl)cyclobutanecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002013	2-Amino-1-hydroxy-1-cyclobutaneacetic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002014	2-Amino-3-hydroxymethyl-3-pentenoic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002015	2-Amino-3-methyl-4-oxopentanoic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002016	2-Amino-4-oxohexanoic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002017	2-Amino-6-oxohexanoic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002018	3-Hydroxy-2-piperidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002019	3-Hydroxy-2-pyrrolidinecarboxylic acid, N-Me 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002020	3-Hydroxy-4-methyl-2-pyrrolidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002021	3-Hydroxy-5-methyl-2-pyrrolidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002022	4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002023	4-Hydroxy-2-piperidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002024	4-Hydroxy-2-pyrrolidinecarboxylic acid, N-Me 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002025	4-Hydroxy-3-piperidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MJ002026	5-Hydroxy-2-piperidinecarboxylic acid 	C6H11NO3	145.073893	NA	MeJP	NA	NA
+MetaCyc00863	4-acetamidobutanoate []	C6H11N1O3	145.073893	NA	metacyc	NA	NA
+MetaCyc00864	N-acetyl-4-aminobutyrate [N-acetyl-&gamma;-aminobutyrate;]	C6H11N1O3	145.073893	NA	metacyc	NA	NA
+MetaCyc00865	(S)-5-amino-3-oxohexanoate []	C6H11N1O3	145.073893	40802-96-8	metacyc	NA	NA
+MetaCyc00866	&alpha;-aminoadipate 6-semialdehyde [2-aminoadipate 6-semialdehyde;L-2-aminoadipate 6-semialdehyde;]	C6H11N1O3	145.073893	NA	metacyc	NA	NA
+MetaCyc00867	2-aminoadipate-6-semialdehyde [2-aminoadipate semialdehyde;allysine;]	C6H11N1O3	145.073893	1962-83-0	metacyc	NA	NA
+MetaCyc00868	5-hydroxy-pipecolate []	C6H11N1O3	145.073893	NA	metacyc	NA	NA
+MetaCyc00869	2-keto-6-aminocaproate [2-oxo-6-aminohexanoate;2-oxo-6-aminocaproate;6-amino-2-oxohexanoate;]	C6H11N1O3	145.073893	NA	metacyc	NA	NA
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	HMDB	NA	NA
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	Inhouse_PFEM	NA	NA
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR018	Aminoadipic semialdehyde	C6H11NO3	145.073894	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00730	Isobutyrylglycine	C6H11NO3	145.073898	NA	HMDB2010	NA	NA
+HMDB00808	N-Butyrylglycine	C6H11NO3	145.073898	NA	HMDB2010	NA	NA
+HMDB01263	Allysine	C6H11NO3	145.073898	NA	HMDB2010	NA	NA
+HMDB03681	4-Acetamidobutanoic acid	C6H11NO3	145.073898	NA	HMDB2010	NA	NA
+HMDB12131	(S)-5-Amino-3-oxohexanoate	C6H11NO3	145.073898	NA	HMDB2010	NA	NA
+HMDB12151	2-Keto-6-aminocaproate	C6H11NO3	145.073898	NA	HMDB2010	NA	NA
+EUR018	aminoadipic semialdehyde	C6H11NO3	145.0739	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR018	aminoadipic semialdehyde	C6H11NO3	145.0739	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR018	aminoadipic semialdehyde	C6H11NO3	145.0739	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR018	aminoadipic semialdehyde	C6H11NO3	145.0739	Wishlist	Inhousejuil11	NA	NA
+C02946	4-Acetamidobutanoate	C6H11NO3	145.0739	NA	KEGG	NA	NA
+C03239	6-Amino-2-oxohexanoate	C6H11NO3	145.0739	NA	KEGG	NA	NA
+C03656	(S)-5-Amino-3-oxohexanoic acid	C6H11NO3	145.0739	NA	KEGG	NA	NA
+C04076	L-2-Aminoadipate 6-semialdehyde	C6H11NO3	145.0739	NA	KEGG	NA	NA
+C05825	2-Amino-5-oxohexanoate	C6H11NO3	145.0739	NA	KEGG	NA	NA
+HMDB03681	4-Acetamidobutanoic acid	C6H11NO3	145.0739	Tripeptides  ;SYN:Protirelin; Protirelin (JP15/USAN); Relefact TRH (TN); TRF; TRH; Thyroliberin; Thyrotropin releasing hormone; Thyrotropin-releasing factor; Thyrotropin-releasing factor (8CI); (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2; L-Pyroglutamyl-L-histidyl-L-prolinamide; L-Pyroglutamyl-L-histidyl-L-proline amide; Lopremone; Prem; Relefact TRH; Rifathyroin; Rifotironin; Stimu TSH; Synthetic TRF; Synthetic TRH; Synthetic TSH-releasing factor; Synthetic TSH-releasing hormone; Synthetic thyrotropin-releasing factor; Synthetic thyrotropin-releasing hormone; TSH-RF; TSH-releasing factor; TSH-releasing hormone; Thypinone; Thyrefact; Thyroid releasing hormone; Thyroid-stimulating hormone-releasing factor; Thyrotropic hormone-releasing factor; Thyrotropic hormone-releasing hormone; Thyrotropic releasing hormone; Thyrotropic-releasing factor; Thyrotropin-releasing hormoneH2Blood; Urine	Inhouse_peptide	NA	peptide
+CJneg0119	N2-acetylaminoadipic acid [(M-H)-C2H2O2]-	C6H10O3N	145.074425	C18rt(min)=4.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0120	4-Acetamidobutanoic acid [(M-H)]-	C6H10NO3	145.074425	C18rt(min)=2.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0119	N2-acetylaminoadipic acid [(M-H)-C2H2O2]-	C6H10O3N	145.074425	C18rt(min)=4.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0120	4-Acetamidobutanoic acid [(M-H)]-	C6H10NO3	145.074425	C18rt(min)=2.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00290	Fibrin	C5H11N3O2	145.0851	NA	KEGG	NA	NA
+C01035	4-Guanidinobutanoate	C5H11N3O2	145.0851	NA	KEGG	NA	NA
+MJ002027	4-Guanidinobutanoate 	C5H11N3O2	145.085126	NA	MeJP	NA	NA
+MJ002028	2,3,5-Triamino-2,3,5-trideoxyarabinonic acid, 1,4-Lactone 	C5H11N3O2	145.085126	NA	MeJP	NA	NA
+MJ002029	4-Guanidinobutanoic acid 	C5H11N3O2	145.085126	NA	MeJP	NA	NA
+MetaCyc00870	4-guanidinobutyrate [&gamma;-guanidinobutyrate;4-guanidinobutanoate;]	C5H11N3O2	145.085127	NA	metacyc	NA	NA
+MetaCyc00871	4-guanido-butyrate []	C5H11N3O2	145.085127	NA	metacyc	NA	NA
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	145.085129	NA	HMDB2010	NA	NA
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	145.08513	http://www.hmdb.ca/metabolites/HMDB03464	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	145.08513	http://www.hmdb.ca/metabolites/HMDB03464	HMDB	NA	NA
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	145.08513	NA  ;SYN:N,n-dimethyl-l-proline; L-proline betaine; (S)-2-carboxy-1,1-dimethylpyrrolidinium; (2S)-2-carboxy-1,1-dimethylpyrrolidinium; Prestwick-08G03; Homostachydrine;  StachydrineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	145.08513	http://www.hmdb.ca/metabolites/HMDB03464	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03464	4-Guanidinobutanoic acid	C5H11N3O2	145.08513	HMDB03464	PFEM_hmdb_metabocards_official	NA	NA
+MJ002030	2,4-Dimethyl-1H-indole 	C10H11N	145.089149	NA	MeJP	NA	NA
+CJpos0277	Stachydrine (Proline betaine) [(M+H)]+ (18O)	C7H14NO18O	145.098275	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0277	Stachydrine (Proline betaine) [(M+H)]+ (18O)	C7H14NO18O	145.098275	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06831	3-Dehydroxycarnitine	C7H15NO2	145.110275	NA	HMDB2010	NA	NA
+MJ002031	2-Amino-3-methylhexanoic acid 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002032	2-Amino-3-methylpentanoic acid, N-Me 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002033	2-Amino-3-pentanol, N-Ac 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002034	2-Amino-4-methylhexanoic acid 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002035	2-Amino-5-methylhexanoic acid 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002036	2-Aminoheptanoic acid 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002037	Actinine 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002038	Emylcamate 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002039	Leucine, N-Me 	C7H15NO2	145.110278	NA	MeJP	NA	NA
+MJ002040	Acetylcholine(1+) 	C7H16NO2(+)	145.110278	NA	MeJP	NA	NA
+MetaCyc00872	&gamma;-butyrobetaine [3-carboxypropyl-trimethyl-ammonium;4-trimethylammoniobutanoate;]	C7H15N1O2	145.110279	NA	metacyc	NA	NA
+HMDB06831	3-Dehydroxycarnitine	C7H15NO2	145.11028	http://www.hmdb.ca/metabolites/HMDB06831	HMDB	NA	NA
+HMDB06831	3-Dehydroxycarnitine	C7H15NO2	145.11028	HMDB06831	PFEM_hmdb_metabocards_official	NA	NA
+C01930	L-Lysinamide	C6H15N3O	145.1215	NA	KEGG	NA	NA
+C01931	L-Lysyl-tRNA	C16H29N2O11PR2	145.1215	NA	KEGG	NA	NA
+MJ002041	6-Amino-2-methyl-2-heptanol 	C8H19NO	145.146664	NA	MeJP	NA	NA
+CJpos0278	Spermidine [M+H]+	C7H20N3	145.157375	C18rt(min)=0.71 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0278	Spermidine [M+H]+	C7H20N3	145.157375	C18rt(min)=0.71 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002042	Spermidine 	C7H19N3	145.157897	NA	MeJP	NA	NA
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	PFEM_hmdb_metabocards_urine	NA	urine
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	HMDB	NA	NA
+HMDB01257	Spermidine	C7H19N3	145.157898	NA	HMDB2010	NA	NA
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	Inhouse_PFEM	NA	NA
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	Inhousejuil11	NA	NA
+MetaCyc00873	spermidine []	C7H19N3	145.157898	124-20-9	metacyc	NA	NA
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	PFEM_hmdb_metabocards_blood	NA	blood
+LABER040	Spermidine	NA	145.157898	RT 1.48 fragt 146, 112, 58, 72, 84	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01257	Spermidine	C7H19N3	145.1579	http://www.hmdb.ca/metabolites/HMDB01257	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01257	Spermidine	C7H19N3	145.1579	http://www.hmdb.ca/metabolites/HMDB01257	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01257	Spermidine	C7H19N3	145.1579	http://www.hmdb.ca/metabolites/HMDB01257	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01257	Spermidine	C7H19N3	145.1579	http://www.hmdb.ca/metabolites/HMDB01257	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01257	Spermidine	C7H19N3	145.1579	http://www.hmdb.ca/metabolites/HMDB01257	HMDB	NA	NA
+C00315	Spermidine	C7H19N3	145.1579	NA	KEGG	NA	NA
+C00316	Tripeptide	C6H8N3O4R3	145.1579	NA	KEGG	NA	NA
+HMDB01257	Spermidine	C7H19N3	145.1579	http://www.hmdb.ca/metabolites/HMDB01257	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01257	Spermidine	C7H19N3	145.1579	HMDB01257	PFEM_hmdb_metabocards_official	NA	NA
+C11148	TCE epoxide	C2HCl3O	145.9093	NA	KEGG	NA	NA
+C14866	Chloral	C2HCl3O	145.9093	NA	KEGG	NA	NA
+C14867	Dichloroacetyl chloride	C2HCl3O	145.9093	NA	KEGG	NA	NA
+C05697	Selenate	H2SeO4	145.9118	NA	KEGG	NA	NA
+MetaCyc00874	selenate []	H2O4SE1	145.91183	NA	metacyc	NA	NA
+C14400	1,2,3-Trichloropropane	C3H5Cl3	145.9457	NA	KEGG	NA	NA
+C07092	1,4-Dichlorobenzene	C6H4Cl2	145.969	NA	KEGG	NA	NA
+C14328	1,2-Dichlorobenzene	C6H4Cl2	145.969	NA	KEGG	NA	NA
+MJ002043	1,4-Dichlorobenzene 	C6H4Cl2	145.969005	NA	MeJP	NA	NA
+MetaCyc00875	1,4-dichlorobenzene [DCB;Dichloricide;Evola;globol;p-chlorophenyl chloride;p-dichlorobenzol;PARA;para-Dichlorobenzene;Para-zene;Paracide;Paradow;Paramoth;paranuggets;PDB;PDCB;persia-perazol;santochlor;]	C6H4CL2	145.969006	106-46-7	metacyc	NA	NA
+MetaCyc00876	ortho-dichloro-benzene [O-dichlorobenzene;2-dichlorobenzene;O-dichloro-benzene;1,2-dichloro-benzene;]	C6H4CL2	145.969006	95-50-1	metacyc	NA	NA
+C08735	2-Chloro-4-hydroxy-6-amino-1,3,5-triazine	C3H3ClN4O	145.9995	NA	KEGG	NA	NA
+C12837	3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene	C6H7ClO2	146.0135	NA	KEGG	NA	NA
+C13695	ZAPA	C4H6N2O2S	146.015	NA	KEGG	NA	NA
+CJpos0279	Citric acid [(M+H)-(HCOOH)]+	C5H7O5	146.020975	C18rt(min)=1.6 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0279	Citric acid [(M+H)-(HCOOH)]+	C5H7O5	146.020975	C18rt(min)=1.6 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00026	2-Oxoglutarate	C5H6O5	146.0215	NA	KEGG	NA	NA
+C03716	Oxaloacetate 4-methyl ester	C5H6O5	146.0215	NA	KEGG	NA	NA
+C05406	5-Hydroxy-2,4-dioxopentanoate	C5H6O5	146.0215	NA	KEGG	NA	NA
+C05407	2-Dehydro-3-deoxy-D-alabinonate	C5H6O5	146.0215	NA	KEGG	NA	NA
+C06030	Methyloxaloacetate	C5H6O5	146.0215	NA	KEGG	NA	NA
+C06316	Dehydro-D-arabinono-1,4-lactone	C5H6O5	146.0215	NA	KEGG	NA	NA
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	http://www.hmdb.ca/metabolites/HMDB00208	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	http://www.hmdb.ca/metabolites/HMDB00208	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	http://www.hmdb.ca/metabolites/HMDB00208	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	http://www.hmdb.ca/metabolites/HMDB00208	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	http://www.hmdb.ca/metabolites/HMDB00208	HMDB	NA	NA
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	http://www.hmdb.ca/metabolites/HMDB00208	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02151	HMDB00208	PFEM_hmdb_metabocards_official	NA	NA
+MJ002044	2-Oxoglutarate 	C5H6O5	146.021523	NA	MeJP	NA	NA
+MJ002045	Methyloxaloacetate 	C5H6O5	146.021523	NA	MeJP	NA	NA
+MJ002046	2-Oxopentanedioic acid 	C5H6O5	146.021523	NA	MeJP	NA	NA
+MJ002047	3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone 	C5H6O5	146.021523	NA	MeJP	NA	NA
+MetaCyc00877	methyloxaloacetate [methyloxalo-acetate;2-methyl-3-oxo-succinic acid;]	C5H6O5	146.021523	NA	metacyc	NA	NA
+MetaCyc00878	oxaloacetate 4-methyl ester []	C5H6O5	146.021523	NA	metacyc	NA	NA
+MetaCyc00879	D-erythro-ascorbate [erythro-ascorbate;]	C5H6O5	146.021523	NA	metacyc	NA	NA
+MetaCyc00880	5-hydroxy-2,4-dioxopentanoate [5-hydroxy-2,4-dioxovalerate;(4S)-5-hydroxy-2,4-dioxopentanoate;]	C5H6O5	146.021523	NA	metacyc	NA	NA
+MetaCyc00881	&alpha;-ketoglutarate [ketoglutarate;&alpha;-ketoglutarate;2-oxoglutaric acid;&alpha;-ketoglutaric acid;&alpha;-oxoglutarate;2-oxoglutarate;2-ketoglutaric acid;2-ketoglutarate;2-oxopentanedionic acid;2-oxopentanedionate;]	C5H6O5	146.021523	328-50-7	metacyc	NA	NA
+LABER065	ketoglutaric	NA	146.02153	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER065	ketoglutaric	NA	146.02153	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER065	ketoglutaric	NA	146.02153	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER065	ketoglutaric	NA	146.02153	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER065	ketoglutaric	NA	146.02153	NA	HMDB	NA	NA
+LABER065	ketoglutaric	NA	146.02153	NA	Inhouse_PFEM	NA	NA
+LABER065	ketoglutaric	NA	146.02153	NA	Inhousejuil11	NA	NA
+LABER065	ketoglutaric	NA	146.02153	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER065	ketoglutaric	NA	146.02153	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00208	Oxoglutaric acid	C5H6O5	146.02153	NA	HMDB2010	NA	NA
+CJneg0129	Ascorbic acid [(M-H)-(CH2O)]-	C5H5O5	146.021925	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0129	Ascorbic acid [(M-H)-(CH2O)]-	C5H5O5	146.021925	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0121	?-Ketoglutaric acid [(M-H)]-	C5H5O5	146.022025	C18rt(min)=1.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0121	?-Ketoglutaric acid [(M-H)]-	C5H5O5	146.022025	C18rt(min)=1.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002048	1-Propenyl 2-propenyl disulfide 	C6H10S2	146.022391	NA	MeJP	NA	NA
+MJ002049	3,4-Dihydro-3-vinyl-1,2-dithiin; 1',2'-Dihydro 	C6H10S2	146.022391	NA	MeJP	NA	NA
+MJ002050	3,4-Dihydro-3-vinyl-1,2-dithiin; 1',2'-dihydro 	C6H10S2	146.022391	NA	MeJP	NA	NA
+MJ002051	Di-1-propenyl disulfide 	C6H10S2	146.022391	NA	MeJP	NA	NA
+MJ002052	Di-2-propenyl disulfide 	C6H10S2	146.022391	NA	MeJP	NA	NA
+C08369	Diallyl disulfide	C6H10S2	146.0224	NA	KEGG	NA	NA
+MetaCyc00882	3-oxo-3-ureidopropanoate []	C4H6N2O4	146.032757	NA	metacyc	NA	NA
+C11117	5-N-Methyloxaluric acid	C4H6N2O4	146.0328	NA	KEGG	NA	NA
+C15607	3-Oxo-3-ureidopropanoate	C4H6N2O4	146.0328	NA	KEGG	NA	NA
+JH104	Tyrosine [M+H-NH3-H2O]+	NA	146.0336	1.65	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH104	Tyrosine [M+H-NH3-H2O]+	NA	146.0336	1.65	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH104	Tyrosine [M+H-NH3-H2O]+	NA	146.0336	1.65	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH104	Tyrosine [M+H-NH3-H2O]+	NA	146.0336	1.65	Inhousejuil11	NA	NA
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR420	Tyrosine F3	NA	146.035575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR420	Tyrosine F3	NA	146.035575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR420	Tyrosine F3	NA	146.035575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR420	Tyrosine F3	NA	146.035575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR420	Tyrosine F3	F3	146.035575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH058	Coumaric acid (p-) [M+H-H20]+	NA	146.0362	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH058	Coumaric acid (p-) [M+H-H20]+	NA	146.0362	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH058	Coumaric acid (p-) [M+H-H20]+	NA	146.0362	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH058	Coumaric acid (p-) [M+H-H20]+	NA	146.0362	13.89	Inhousejuil11	NA	NA
+HMDB01218	Coumarin	C9H6O2	146.03677	http://www.hmdb.ca/metabolites/HMDB01218	HMDB	NA	NA
+HMDB02359	Phenylpropiolic acid	C9H6O2	146.03677	http://www.hmdb.ca/metabolites/HMDB02359	HMDB	NA	NA
+HMDB01218	Coumarin	C9H6O2	146.03677	HMDB01218	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02359	Phenylpropiolic acid	C9H6O2	146.03677	HMDB02359	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01218	Coumarin	C9H6O2	146.036774	NA	HMDB2010	NA	NA
+HMDB02359	Phenylpropiolic acid	C9H6O2	146.036774	NA	HMDB2010	NA	NA
+MJ002053	Coumarine 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002054	2-Nonene-4,6,8-triyn-1-ol, 2,3-Epoxide 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002055	2H-1-Benzopyran-2-one 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002056	3,4-Nonadiene-6,8-diynoic acid 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002057	4,6,8-Nonatriynoic acid 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002058	4-(1,3-Butadiynyl)-4-cyclopentene-1,3-diol, 1-Ketone 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002059	5-Benzofurancarboxaldehyde 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002060	6-Benzofurancarboxaldehyde 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MJ002061	Cyclopenta[c]pyran-7-carboxaldehyde 	C9H6O2	146.036779	NA	MeJP	NA	NA
+MetaCyc00883	coumarin [coumarin;cumarin;]	C9H6O2	146.036779	NA	metacyc	NA	NA
+C05851	Coumarin	C9H6O2	146.0368	NA	KEGG	NA	NA
+MJ002062	(2-Carboxycyclopropyl)dimethylsulfonium 	C6H10O2S	146.04015	NA	MeJP	NA	NA
+MJ002063	5-(Methylthio)-2,3-pentanedione 	C6H10O2S	146.04015	NA	MeJP	NA	NA
+C11072	THTA	C6H10O2S	146.0402	NA	KEGG	NA	NA
+C14473	1(2H)-Phthalazinone	C8H6N2O	146.048	NA	KEGG	NA	NA
+MJ002064	4-Quinazolinol 	C8H6N2O	146.048012	NA	MeJP	NA	NA
+CJpos0280	Adipoylcarnitine [(M+H)-NC3H9-C4H4O2]+	C6H11O4	146.057375	C18rt(min)=5.25 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0281	Methylglutaric acid [(M+H)]+	C6H11O4	146.057375	C18rt(min)=5.15 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0280	Adipoylcarnitine [(M+H)-NC3H9-C4H4O2]+	C6H11O4	146.057375	C18rt(min)=5.25 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0281	Methylglutaric acid [(M+H)]+	C6H11O4	146.057375	C18rt(min)=5.15 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR195	Adipic acid	C6H10O4	146.0579	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR615	adipic acid	[M-H]-	146.0579	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR195	Adipic acid	C6H10O4	146.0579	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR615	adipic acid	[M-H]-	146.0579	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR195	Adipic acid	C6H10O4	146.0579	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR615	adipic acid	[M-H]-	146.0579	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR195	Adipic acid	C6H10O4	146.0579	Wishlist	Inhousejuil11	NA	NA
+EUR615	adipic acid	[M-H]-	146.0579	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00659	2-Aceto-2-hydroxybutanoate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C00772	Mevaldate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C00966	2-Dehydropantoate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C01053	(R)-4-Dehydropantoate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C04237	3-Hydroxy-3-methyl-2-oxopentanoic acid	C6H10O4	146.0579	NA	KEGG	NA	NA
+C04239	5'-Dephospho-RNA 3'-mononucleotide	C10H18O13P2R2	146.0579	NA	KEGG	NA	NA
+C06006	(S)-2-Aceto-2-hydroxybutanoate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C06104	Adipate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C06762	4-Hydroxy-2-oxohexanoic acid	C6H10O4	146.0579	NA	KEGG	NA	NA
+C14463	(R)-3-Hydroxy-3-methyl-2-oxopentanoate	C6H10O4	146.0579	NA	KEGG	NA	NA
+C16272	3-Hydroxy-5-oxohexanoate	C6H10O4	146.0579	NA	KEGG	NA	NA
+HMDB00422	2-Methylglutaric acid	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+HMDB00448	Adipic acid	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+HMDB00752	Methylglutaric acid	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+HMDB00858	Monomethyl glutaric acid	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+HMDB02074	2,2-Dimethylsuccinic acid	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+HMDB02173	Solerol	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+HMDB06900	(S)-2-Aceto-2-hydroxybutanoic acid	C6H10O4	146.057907	NA	HMDB2010	NA	NA
+MJ002065	(R)-4-Dehydropantoate 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002066	(S)-2-Aceto-2-hydroxybutanoate 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002067	2-Dehydropantoate 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002068	4-Hydroxy-2-oxohexanoate 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002069	Adipate 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002070	1,4:3,6-Dianhydroglucitol 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002071	1,4:3,6-Dianhydromannitol 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002072	3,4-Dihydroxy-2-methylenebutanoic acid, Me ester 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002073	3,6-Dideoxy-erythro-hexopyranos-4-ulose 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002074	3-Hydroxy-3-methyl-5-oxopentanoic acid 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002075	3-Hydroxy-4-hydroxymethyl-4-pentenoic acid 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002076	4-(Hydroxymethyl)-4-cyclopentene-1,2,3-triol 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002077	4-Hydroxybutanoic acid; Ac 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002078	5-Cyclohexene-1,2,3,4-tetrol 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002079	5-Hydroxy-3-methoxy-2-pentenoic acid 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002080	Gloiosiphone B 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002081	Hexanedioic acid 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MJ002082	Tetrahydro-5-hydroxy-2-hydroxymethyl-4H-pyran-4-one 	C6H10O4	146.057908	NA	MeJP	NA	NA
+MetaCyc00884	mevaldate [mevaldic acid;]	C6H10O4	146.057909	NA	metacyc	NA	NA
+MetaCyc00885	(R)-4-Dehydropantoate []	C6H10O4	146.057909	NA	metacyc	NA	NA
+MetaCyc00886	3-hydroxy-5-oxohexanoate []	C6H10O4	146.057909	109138-72-9	metacyc	NA	NA
+MetaCyc00887	adipate [adipic acid;hexanedioic acid;]	C6H10O4	146.057909	124-04-9	metacyc	NA	NA
+MetaCyc00888	2-dehydropantoate [ketopantoate;2-keto-pantoate;]	C6H10O4	146.057909	NA	metacyc	NA	NA
+MetaCyc00889	2-aceto-2-hydroxy-butyrate [&alpha;-aceto-&alpha;-hydroxybutyrate;]	C6H10O4	146.057909	3142-65-2	metacyc	NA	NA
+HMDB00422	2-Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00422	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00448	Adipic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00448	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00752	Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00752	PFEM_hmdb_metabocards_urine	NA	urine
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00448	Adipic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00448	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00422	2-Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00422	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00448	Adipic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00448	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00752	Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00752	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00422	2-Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00422	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00448	Adipic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00448	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00752	Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00752	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00422	2-Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00422	HMDB	NA	NA
+HMDB00448	Adipic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00448	HMDB	NA	NA
+HMDB00752	Methylglutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00752	HMDB	NA	NA
+HMDB00858	Monomethyl glutaric acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00858	HMDB	NA	NA
+HMDB02074	2,2-Dimethylsuccinic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB02074	HMDB	NA	NA
+HMDB02173	Solerole	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB02173	HMDB	NA	NA
+HMDB06900	(S)-2-Aceto-2-hydroxybutanoate	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB06900	HMDB	NA	NA
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	HMDB	NA	NA
+EUR615	adipic acid	NA	146.05791	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	Inhouse_PFEM	NA	NA
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR615	adipic acid	NA	146.05791	147.06511	Inhouse_sept12	NA	NA
+HMDB00448	Adipic acid	C6H10O4	146.05791	http://www.hmdb.ca/metabolites/HMDB00448	PFEM_hmdb_metabocards_blood	NA	blood
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR195	Adipic acid	C6H10O4	146.05791	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR615	adipic acid	NA	146.05791	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00422	2-Methylglutaric acid	C6H10O4	146.05791	HMDB00422	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00448	Adipic acid	C6H10O4	146.05791	HMDB00448	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00752	Methylglutaric acid	C6H10O4	146.05791	HMDB00752	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00858	Monomethyl glutaric acid	C6H10O4	146.05791	HMDB00858	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02074	2,2-Dimethylsuccinic acid	C6H10O4	146.05791	HMDB02074	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02173	Solerole	C6H10O4	146.05791	HMDB02173	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06900	(S)-2-Aceto-2-hydroxybutanoate	C6H10O4	146.05791	HMDB06900	PFEM_hmdb_metabocards_official	NA	NA
+3319	NA	HH	146.058	MH2+	Inhouse_peptide	NA	peptide
+7598	ACE inhibitor	GA	146.058	antioxidative	Inhouse_peptide	NA	peptide
+7600	ACE inhibitor	AG	146.058	antioxidative	Inhouse_peptide	NA	peptide
+CJneg0122	2,2-dimethylsuccinic acid [(M-H)]-	C6H9O4	146.058425	C18rt(min)=5.63 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0123	Adipic acid [M-H]-	C6H9O4	146.058425	C18rt(min)=5.1 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0124	Methylglutaric acid [M-H]-	C6H9O4	146.058425	C18rt(min)=5.15 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0125	Methylglutaric acid isomer [M-H]-	C6H9O4	146.058425	C18rt(min)=4.21 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0122	2,2-dimethylsuccinic acid [(M-H)]-	C6H9O4	146.058425	C18rt(min)=5.63 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0123	Adipic acid [M-H]-	C6H9O4	146.058425	C18rt(min)=5.1 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0124	Methylglutaric acid [M-H]-	C6H9O4	146.058425	C18rt(min)=5.15 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0125	Methylglutaric acid isomer [M-H]-	C6H9O4	146.058425	C18rt(min)=4.21 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	PFEM_hmdb_metabocards_urine	NA	urine
+JH038	Glutamine [M+H]+	C5H10N2O3	146.0664	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH038	Glutamine [M+H]+	C5H10N2O3	146.0664	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH038	Glutamine [M+H]+	C5H10N2O3	146.0664	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	HMDB	NA	NA
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	Inhouse_PFEM	NA	NA
+JH038	Glutamine [M+H]+	C5H10N2O3	146.0664	1.28	Inhousejuil11	NA	NA
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	PFEM_hmdb_metabocards_blood	NA	blood
+JH038	Glutamine 	C5H10N2O3	146.0664	Rtobs1.28	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0282	Glutamine [M+H]+	C5H11O3N2	146.068575	C18rt(min)=0.87 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0283	Dihydrothymine isomer [(M+H)+(H2O)]+	C5H11N2O3	146.068575	C18rt(min)=5.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0282	Glutamine [M+H]+	C5H11O3N2	146.068575	C18rt(min)=0.87 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0283	Dihydrothymine isomer [(M+H)+(H2O)]+	C5H11N2O3	146.068575	C18rt(min)=5.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	PFEM_hmdb_metabocards_urine	NA	urine
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	HMDB	NA	NA
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	Inhouse_PFEM	NA	NA
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	Inhousejuil11	NA	NA
+C00064	L-Glutamine	C5H10N2O3	146.0691	NA	KEGG	NA	NA
+C00303	Glutamine	C5H10N2O3	146.0691	NA	KEGG	NA	NA
+C00304	Kanamycin	C18H33N3O10	146.0691	NA	KEGG	NA	NA
+C00819	D-Glutamine	C5H10N2O3	146.0691	NA	KEGG	NA	NA
+C05100	3-Ureidoisobutyrate	C5H10N2O3	146.0691	NA	KEGG	NA	NA
+C05102	alpha-Hydroxy fatty acid	C2H3O3R	146.0691	NA	KEGG	NA	NA
+C16673	Isoglutamine	C5H10N2O3	146.0691	NA	KEGG	NA	NA
+PJ000011	Q 	C5H10N2O3	146.0691	NA	PeJP	NA	NA
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	PFEM_hmdb_metabocards_blood	NA	blood
+LABER013	Glycine	NA	146.0691	RT 2.01 fragt 147, 84, 41, 56, 130	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00641	L-Glutamine	C5H10N2O3	146.069138	NA	HMDB2010	NA	NA
+HMDB02031	Ureidoisobutyric acid	C5H10N2O3	146.069138	NA	HMDB2010	NA	NA
+HMDB03423	D-Glutamine	C5H10N2O3	146.069138	NA	HMDB2010	NA	NA
+HMDB06899	Alanylglycine	C5H10N2O3	146.069138	NA	HMDB2010	NA	NA
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB00641	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02031	Ureidoisobutyric acid	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB02031	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB00641	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB00641	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02031	Ureidoisobutyric acid	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB02031	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB00641	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02031	Ureidoisobutyric acid	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB02031	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB00641	HMDB	NA	NA
+HMDB02031	Ureidoisobutyric acid	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB02031	HMDB	NA	NA
+HMDB03423	D-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB03423	HMDB	NA	NA
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	NA  ;SYN:6-Amino-n-hexanoic acid; 6-Aminocaproic acid; 6-Aminohexanoate; 6-amino-Hexanoic acid; 6-aminohexanoic acid; Acepramin; Acepramine; Acikaprin; Afibrin; Amicar; Amikar; Aminokapron; Atsemin; Caplamin; Capracid; Capramol; Capranol; Caprocid; Caprolisin; Epsamon; Epsicapron; Epsikapron; Epsillon-Aminocaproic acid' Epsilcapramin; Epsilcapramine; Epsilon S; H-6-Ahx-OH; H-EAhx-OH; H-epsilon-Acp-OH; Hemocaprol; Hemopar; Hepin; Ipsilon; Respramin; e-Amino-n-hexanoic acid; e-Aminocaproate; e-Aminocaproic acid USP; e-Aminohexanoic acid; e-Leucine; e-Norleucine; epsilon-Aminocaproic acid; epsilon-Norleucine; epsilon-S; omega-Aminocaproic acid; omega-Aminohexanoic acid; w-Aminocaproic acid; w-Aminohexanoic acid; epsilon-Amino-n-hexanoic acid; epsilon-Aminocaproate; epsilon-Aminocaproic acid USP; epsilon-Aminohexanoic acid; epsilon-Leucine; 6-Amino-n-hexanoate; 6-Aminocaproate; 6-amino-Hexanoate; Epsillon-Aminocaproate; e-Amino-n-hexanoate; e-Aminocaproic acid; e-Aminohexanoate; omega-Aminocaproate; omega-Aminohexanoate; w-Aminocaproate; w-Aminohexanoate; epsilon-Amino-n-hexanoate; epsilon-Aminohexanoate; Epsillon-Aminocaproic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	http://www.hmdb.ca/metabolites/HMDB00641	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00641	L-Glutamine	C5H10N2O3	146.06914	HMDB00641	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02031	Ureidoisobutyric acid	C5H10N2O3	146.06914	HMDB02031	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03423	D-Glutamine	C5H10N2O3	146.06914	HMDB03423	PFEM_hmdb_metabocards_official	NA	NA
+MJ002083	2,3-Diaminopropanoic acid, N3-Ac 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002084	Asparagine, N-Me 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002085	Glutamine 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002086	Hexahydro-5-hydroxy-3-pyridazinecarboxylic acid 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002087	Isoglutamine 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002088	3-Ureidoisobutyrate 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002089	D-Glutamine 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MJ002090	L-Glutamine 	C5H10N2O3	146.069142	NA	MeJP	NA	NA
+MetaCyc00890	N-methyl-N-carbamoyl-D-alanine [methyl-carbamoyl-D-alanine;]	C5H10N2O3	146.069142	NA	metacyc	NA	NA
+MetaCyc00891	isoglutamine []	C5H10N2O3	146.069142	NA	metacyc	NA	NA
+MetaCyc00892	ala-gly [alanyl-glycine;]	C5H10N2O3	146.069142	NA	metacyc	NA	NA
+MetaCyc00893	3-ureido-isobutyrate []	C5H10N2O3	146.069142	NA	metacyc	NA	NA
+MetaCyc00894	L-glutamine [Q;proglumide;glum;gln;glutamine;glumin;2-aminoglutaramic acid;glutamic acid 5-amide;]	C5H10N2O3	146.069142	56-85-9	metacyc	NA	NA
+MetaCyc00895	D-glutamine [glutamide;]	C5H10N2O3	146.069142	5959-95-5	metacyc	NA	NA
+PJ000012	GA 	C5H10N2O3	146.0692	NA	PeJP	NA	NA
+CJneg0126	Dihydrothymine isomer [(M-H)+(H2O)]-	C5H9N2O3	146.069725	C18rt(min)=5.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0127	Glutamine [M-H]-	C5H9O3N2	146.069725	C18rt(min)=0.87 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0126	Dihydrothymine isomer [(M-H)+(H2O)]-	C5H9N2O3	146.069725	C18rt(min)=5.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0127	Glutamine [M-H]-	C5H9O3N2	146.069725	C18rt(min)=0.87 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH165	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+	NA	146.0726	13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH165	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+	NA	146.0726	13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH165	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+	NA	146.0726	13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH165	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-HCOOH-2OH]+	NA	146.0726	13.56	Inhousejuil11	NA	NA
+MJ002091	2,6,8-Decatrien-4-ynal 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002092	2,8-Decadiene-4,6-diyn-1-ol 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002093	2-Decene-4,6-diynal 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002094	3,4-Decadiene-6,8-diyn-1-ol 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002095	4,5-Decadiene-7,9-diyn-1-ol 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002096	4,5-Dimethylbenzofuran 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002097	4,6,8-Decatriyn-1-ol 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002098	4-(1-Methylethenyl)benzaldehyde 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002099	4-Indanecarboxaldehyde 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002100	4-Phenyl-2-butenal 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002101	4-Phenyl-3-buten-2-one 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002102	5,7,9-Decatriyn-1-ol 	C10H10O	146.073164	NA	MeJP	NA	NA
+MJ002103	5-Indanecarboxaldehyde 	C10H10O	146.073164	NA	MeJP	NA	NA
+HMDB03701	Dimethylbenzimidazole	C9H10N2	146.084396	NA	HMDB2010	NA	NA
+MJ002104	Dimethylbenzimidazole 	C9H10N2	146.084398	NA	MeJP	NA	NA
+MJ002105	1H-Indole-3-methanamine 	C9H10N2	146.084398	NA	MeJP	NA	NA
+MJ002106	2-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine 	C9H10N2	146.084398	NA	MeJP	NA	NA
+MJ002107	Myosmine 	C9H10N2	146.084398	NA	MeJP	NA	NA
+MetaCyc00896	dimethylbenzimidazole [DMB;5,6-Dimethylbenzimidazole;]	C9H10N2	146.084398	582-60-5	metacyc	NA	NA
+C03114	Dimethylbenzimidazole	C9H10N2	146.0844	NA	KEGG	NA	NA
+C10160	Myosmine	C9H10N2	146.0844	NA	KEGG	NA	NA
+HMDB02207	3-Hydroxyisoheptanoic acid	C7H14O3	146.09428	http://www.hmdb.ca/metabolites/HMDB02207	HMDB	NA	NA
+HMDB02207	3-Hydroxyisoheptanoic acid	C7H14O3	146.09428	HMDB02207	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc00897	ethyl-(2R)-methyl-(3S)-hydroxybutanoate []	C7H14O3	146.094294	NA	metacyc	NA	NA
+HMDB02207	3-Hydroxyisoheptanoic acid	C7H14O3	146.094299	NA	HMDB2010	NA	NA
+CJpos0284	Lysine [M+H]+	C6H15O2N2	146.104975	C18rt(min)=0.8 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0284	Lysine [M+H]+	C6H15O2N2	146.104975	C18rt(min)=0.8 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	PFEM_hmdb_metabocards_urine	NA	urine
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	HMDB	NA	NA
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	Inhouse_PFEM	NA	NA
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	Inhousejuil11	NA	NA
+C00047	L-Lysine	C6H14N2O2	146.1055	NA	KEGG	NA	NA
+C00739	D-Lysine	C6H14N2O2	146.1055	NA	KEGG	NA	NA
+C01142	(3S)-3,6-Diaminohexanoate	C6H14N2O2	146.1055	NA	KEGG	NA	NA
+C01186	(3S,5S)-3,5-Diaminohexanoate	C6H14N2O2	146.1055	NA	KEGG	NA	NA
+C05161	2,5-Diaminohexanoate	C6H14N2O2	146.1055	NA	KEGG	NA	NA
+C16440	Lysine	C6H14N2O2	146.1055	NA	KEGG	NA	NA
+PJ000013	K 	C6H14N2O2	146.1055	NA	PeJP	NA	NA
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	PFEM_hmdb_metabocards_blood	NA	blood
+LABER006	Lysine	NA	146.1055	RT 1.6 fragt 147, 84, 130	PFEM_hmdb_metabocards_official	NA	NA
+MJ002108	(3S)-3,6-Diaminohexanoate 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002109	(3S,5S)-3,5-Diaminohexanoate 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002110	2,5-Diaminohexanoate 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002111	D-Lysine 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002112	L-Lysine 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002113	2,4-Diamino-2,3,4,6-tetradeoxy-arabino-hexose 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002114	2,5-Diaminopentanoic acid, N5-Me 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002115	2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002116	3,5-Diaminohexanoic acid 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002117	3,6-Diaminohexanoic acid 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MJ002118	Lysine 	C6H14N2O2	146.105527	NA	MeJP	NA	NA
+MetaCyc00898	(3S)-3,6-diaminohexanoate [L-&beta;-lysine;]	C6H14N2O2	146.105528	504-21-2	metacyc	NA	NA
+MetaCyc00899	(3S,5S)-3,5-diaminohexanoate [L-erythro-3,5-diaminohexanoate;(3S,5S)-3,5-diaminocaproate;L-erythro-3,5-diaminocaproate;]	C6H14N2O2	146.105528	34281-55-5	metacyc	NA	NA
+MetaCyc00900	2,5-diaminohexanoate []	C6H14N2O2	146.105528	NA	metacyc	NA	NA
+MetaCyc00901	L-lysine [K;lysine;L-lys;lys;2,6-diaminohexanoic acid;lysine acid;]	C6H14N2O2	146.105528	56-87-1	metacyc	NA	NA
+MetaCyc00902	D-lysine [D-2,6-diaminohexanoic acid;]	C6H14N2O2	146.105528	923-27-3	metacyc	NA	NA
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB00182	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB00182	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB00182	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB00182	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB00182	HMDB	NA	NA
+HMDB03405	D-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB03405	HMDB	NA	NA
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	Tripeptides  ;SYN:(Des-Gly)-Glutathione; 3GC; 5-L-Glutamyl-L-cysteine; H-Glu(Cys-OH)-OH; H-gamma-Glu-Cys-OH; L-g-Glutamyl-L-cysteine; L-gamma-Glutamylcysteine; N-(1-carboxy-2-mercaptoethyl)-L-Glutamine; N-L-gamma-glutamyl-L-Cysteine; g-Glutamylcysteine; g-L-Glutamyl-L-cysteine; gamma-Glu-cys; gamma-Glutamylcysteine; gamma-L-Glutamyl-L-cysteine; xN-L-g-glutamyl-Glutamine; L-gamma-Glutamyl-L-cysteine; xN-L-gamma-glutamyl-Glutamine; 5-L-glutamylcysteineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	http://www.hmdb.ca/metabolites/HMDB00182	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	HMDB00182	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03405	D-Lysine	C6H14N2O2	146.10553	HMDB03405	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00182	L-Lysine	C6H14N2O2	146.10553	NA	HMDB2010	NA	NA
+HMDB03405	D-Lysine	C6H14N2O2	146.10553	NA	HMDB2010	NA	NA
+HMDB12114	(3S)-3,6-Diaminohexanoate	C6H14N2O2	146.10553	NA	HMDB2010	NA	NA
+HMDB12115	(3S,5S)-3,5-Diaminohexanoate	C6H14N2O2	146.10553	NA	HMDB2010	NA	NA
+MJ002119	3-(1,3-Butadienyl)-4-vinylcyclopentene 	C11H14	146.10955	NA	MeJP	NA	NA
+MJ002120	6-(1,3-Butadienyl)-1,4-cycloheptadiene 	C11H14	146.10955	NA	MeJP	NA	NA
+HMDB00895	Acetylcholine 	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB00895	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB01161	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00895	Acetylcholine 	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB00895	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00895	Acetylcholine 	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB00895	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00895	Acetylcholine 	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB00895	HMDB	NA	NA
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB01161	HMDB	NA	NA
+C01181	4-Trimethylammoniobutanoate	C7H16NO2	146.1181	NA	KEGG	NA	NA
+C01996	Acetylcholine	C7H16NO2	146.1181	NA	KEGG	NA	NA
+C01997	Histone N6-acetyl-L-lysine	C9H15N3O3R2	146.1181	NA	KEGG	NA	NA
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	146.1181	http://www.hmdb.ca/metabolites/HMDB01161	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00895	Acetylcholine 	C7H16NO2	146.1181	HMDB00895	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	146.1181	HMDB01161	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	146.1181	NA  ;SYN:Arginic acid; Argininic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB00895	Acetylcholine	C7H16NO2	146.118103	NA	HMDB2010	NA	NA
+HMDB01161	4-Trimethylammoniobutanoic acid	C7H16NO2	146.118103	NA	HMDB2010	NA	NA
+MJ002121	4-Trimethylammoniobutanoate 	C7H16NO2	146.118103	NA	MeJP	NA	NA
+MJ002122	Acetylcholine 	C7H16NO2	146.118103	NA	MeJP	NA	NA
+MetaCyc00903	acetylcholine [Ach;O-Acetylcholine;]	C7H16N1O2	146.118104	51-84-3	metacyc	NA	NA
+MJ002123	1,3-Octanediol 	C8H18O2	146.130679	NA	MeJP	NA	NA
+MJ002124	2,3-Octanediol 	C8H18O2	146.130679	NA	MeJP	NA	NA
+C14218	Octane-1,8-diol	C8H18O2	146.1307	NA	KEGG	NA	NA
+C14271	2-Ethyl-1,3-hexanediol	C8H18O2	146.1307	NA	KEGG	NA	NA
+C14273	1,2-Octanediol	C8H18O2	146.1307	NA	KEGG	NA	NA
+C07166	Trientine	C6H18N4	146.1531	NA	KEGG	NA	NA
+C07167	Transferred to D00389	C6H18N4	146.1531	NA	KEGG	NA	NA
+MJ002125	Triethylenetetramine 	C6H18N4	146.153146	NA	MeJP	NA	NA
+CJpos0285	Spermidine [M+H]+ (13C)	C6[13]CH20N3	146.160675	C18rt(min)=0.71 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0285	Spermidine [M+H]+ (13C)	C6[13]CH20N3	146.160675	C18rt(min)=0.71 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+7692	ACE inhibitor	KF	146.581	MH2+	Inhouse_peptide	NA	peptide
+8248	Renin inhibitor	KF	146.581	MH2+	Inhouse_peptide	NA	peptide
+8249	CaMPDE inhibitor	KF	146.581	MH2+	Inhouse_peptide	NA	peptide
+MJ002126	Chromium phosphate (CrPO4) 	CrO4P	146.893931	NA	MeJP	NA	NA
+MJ002127	3,5-Dichloropyridine 	C5H3Cl2N	146.964254	NA	MeJP	NA	NA
+C08736	2-Chloro-4,6-dihydroxy-1,3,5-triazine	C3H2ClN3O2	146.9836	NA	KEGG	NA	NA
+CJpos0286	Taurine (and isomer) [M+Na]+	C2H7O3NNaS	146.996075	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0286	Taurine (and isomer) [M+Na]+	C2H7O3NNaS	146.996075	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH014	Taurine [M+Na]+	NA	146.9968	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH014	Taurine [M+Na]+	NA	146.9968	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH014	Taurine [M+Na]+	NA	146.9968	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH014	Taurine [M+Na]+	NA	146.9968	1.28	Inhousejuil11	NA	NA
+MJ002128	Oxobutanedioic acid; Oxo-form, Oxime 	C4H5NO5	147.016772	NA	MeJP	NA	NA
+MetaCyc00904	threo-3-hydroxy-L-aspartate [L-threo-3-hydroxyaspartate;]	C4H5N1O5	147.016772	NA	metacyc	NA	NA
+MJ002129	1-Isothiocyanato-3-(methylthio)propane 	C5H9NS2	147.01764	NA	MeJP	NA	NA
+CJneg0128	?-Ketoglutaric acid [(M-H)]- (13C)	C413CH5O5	147.025425	C18rt(min)=1.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0128	?-Ketoglutaric acid [(M-H)]- (13C)	C413CH5O5	147.025425	C18rt(min)=1.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C05579	Indole-5,6-quinone	C8H5NO2	147.032	NA	KEGG	NA	NA
+C11129	Isatin	C8H5NO2	147.032	NA	KEGG	NA	NA
+HMDB06779	Indole-5,6-quinone	C8H5NO2	147.032028	NA	HMDB2010	NA	NA
+MJ002130	1H-Indole-2,3-dione 	C8H5NO2	147.032028	NA	MeJP	NA	NA
+MJ002131	8-Hydroxy-2,4,6-octatriynoic acid; Amide 	C8H5NO2	147.032028	NA	MeJP	NA	NA
+MetaCyc00905	isatin []	C8H5N1O2	147.032028	NA	metacyc	NA	NA
+HMDB06779	Indole-5,6-quinone	C8H5NO2	147.03203	http://www.hmdb.ca/metabolites/HMDB06779	HMDB	NA	NA
+HMDB06779	Indole-5,6-quinone	C8H5NO2	147.03203	HMDB06779	PFEM_hmdb_metabocards_official	NA	NA
+MJ002132	3-Thiomorpholinecarboxylic acid 	C5H9NO2S	147.035399	NA	MeJP	NA	NA
+MJ002133	Glycothiomin 	C5H9NO2S	147.035399	NA	MeJP	NA	NA
+MJ002134	Tetrahydro-2H-1,3-thiazine-4-carboxylic acid 	C5H9NO2S	147.035399	NA	MeJP	NA	NA
+MetaCyc00906	thiomorpholine-3-carboxylate []	C5H9N1O2S1	147.035399	20960-92-3	metacyc	NA	NA
+C03901	Thiomorpholine 3-carboxylate	C5H9NO2S	147.0354	NA	KEGG	NA	NA
+C03903	Yeast alpha-factor pheromone	C5H9NO2S	147.0354	NA	KEGG	NA	NA
+C03904	alpha-N-Peptidyl-L-glutamate	C9H13N3O6R2	147.0354	NA	KEGG	NA	NA
+C03905	alpha-N-Peptidyl-L-glutamine	C9H14N4O5R2	147.0354	NA	KEGG	NA	NA
+C14592	N-Methyl-N'-nitro-N-nitrosoguanidine	C2H5N5O3	147.0392	NA	KEGG	NA	NA
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR366	Folate F3	NA	147.042075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR366	Folate F3	NA	147.042075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR366	Folate F3	NA	147.042075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR366	Folate F3	F3	147.042075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR366	Folate F3	NA	147.042075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR366	Folate F3	F3	147.042075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00930	trans-Cinnamic acid	C9H7O2	147.0446	http://www.hmdb.ca/metabolites/HMDB00930	HMDB	NA	NA
+HMDB00930	trans-Cinnamic acid	C9H7O2	147.0446	HMDB00930	PFEM_hmdb_metabocards_official	NA	NA
+EUR219	Acide Glutamique F1	NA	147.051575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR219	Acide Glutamique F1	NA	147.051575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR219	Acide Glutamique F1	NA	147.051575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR219	Acide Glutamique F1	NA	147.051575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	PFEM_hmdb_metabocards_urine	NA	urine
+JH040	Glutamic acid [M+H]+	C5H9NO4	147.0521	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH040	Glutamic acid [M+H]+	C5H9NO4	147.0521	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH040	Glutamic acid [M+H]+	C5H9NO4	147.0521	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	HMDB	NA	NA
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	Inhouse_PFEM	NA	NA
+JH040	Glutamic acid [M+H]+	C5H9NO4	147.0521	1.23	Inhousejuil11	NA	NA
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	PFEM_hmdb_metabocards_blood	NA	blood
+JH040	Glutamic acid 	C5H9NO4	147.0521	Rtobs1.23	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0287	O-Acetylserine (and isomer) [(M+H)]+	C5H10NO4	147.052575	C18rt(min)=0.89 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0287	O-Acetylserine (and isomer) [(M+H)]+	C5H10NO4	147.052575	C18rt(min)=0.89 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002135	2-Amino-3-methylbutanedioic acid 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002136	2-Amino-5-hydroxy-4-oxopentanoic acid 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002137	3,4-Dihydroxy-2-pyrrolidinecarboxylic acid 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002138	3-(Carboxymethylamino)propanoic acid 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002139	3-Aminopentanedioic acid 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002140	3-Nitropropanoic acid; Et ester 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002141	Aspartic acid, N-Me 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002142	Glutamic acid 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002143	Methyl [(acetylamino)oxy]acetate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002144	N-Carboxymethylalanine 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002145	Serine, O-Ac 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002146	2-Oxo-4-hydroxy-5-aminovalerate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002147	D-Glutamate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002148	Glutamate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002149	Isoglutamate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002150	L-4-Hydroxyglutamate semialdehyde 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002151	L-Glutamate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002152	L-threo-3-Methylaspartate 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MJ002153	O-Acetyl-L-serine 	C5H9NO4	147.053157	NA	MeJP	NA	NA
+MetaCyc00907	N-(Carboxymethyl)-D-alanine []	C5H9N1O4	147.053158	NA	metacyc	NA	NA
+MetaCyc00908	O-acetyl-L-serine [O3-acetyl-L-serine;acetylserine;O-acetylserine;]	C5H9N1O4	147.053158	66638-22-0	metacyc	NA	NA
+MetaCyc00909	2-keto-4-hydroxy-5-aminovalerate [2-keto-4-hydroxy-5-amino-valerate;2-keto-4-hdyroxy-5-aminovalerate;]	C5H9N1O4	147.053158	NA	metacyc	NA	NA
+MetaCyc00910	L-Glutamate []	C5H9N1O4	147.053158	NA	metacyc	NA	NA
+MetaCyc00911	L-glutamate [1-amino-propane-1,3-dicarboxylic acid;glutacid;glutaminic acid;L-glutamic acid;&alpha;-aminoglutaric acid;E;glt;glu;glut;glutamate;L-glu;2-aminopentanedioic acid;]	C5H9N1O4	147.053158	56-86-0	metacyc	NA	NA
+MetaCyc00912	D-glutamate [D-glutamic acid;]	C5H9N1O4	147.053158	6893-26-1	metacyc	NA	NA
+MetaCyc00913	(2S, 3S)-3-methylaspartate [3-methylaspartate;&beta;-methylaspartate;L-threo-3-methylaspartate;L-threo-3-methyl-aspartate;]	C5H9N1O4	147.053158	31571-69-4	metacyc	NA	NA
+MetaCyc00914	L-4-hydroxyglutamate semialdehyde [4-hydroxyglutamate semialdehyde;]	C5H9N1O4	147.053158	NA	metacyc	NA	NA
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB00148	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02931	N-Acetylserine	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB02931	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB00148	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03339	D-Glutamate	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB03339	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB00148	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02931	N-Acetylserine	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB02931	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB00148	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02931	N-Acetylserine	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB02931	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB00148	HMDB	NA	NA
+HMDB02393	N-Methyl-D-aspartic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB02393	HMDB	NA	NA
+HMDB02931	N-Acetylserine	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB02931	HMDB	NA	NA
+HMDB03011	O-Acetylserine	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB03011	HMDB	NA	NA
+HMDB03339	D-Glutamate	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB03339	HMDB	NA	NA
+HMDB06556	L-4-Hydroxyglutamate semialdehyde	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB06556	HMDB	NA	NA
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	NA  ;SYN:(-)-tryptophan; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (S)-1H-Indole-3-alanine; (S)-2-Amino-3-(3-indolyl)propionic acid; (S)-a-Amino-1H-indole-3-propanoate; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-a-Aminoindole-3-propionate; (S)-a-Aminoindole-3-propionic acid; (S)-alpha-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; (S)-alpha-Aminoindole-3-propionic acid; (l)-tryptophan; (s)-a-amino-b-indolepropionate; (s)-a-amino-b-indolepropionic acid; (s)-alpha-amino-beta-indolepropionic acid; (s)-tryptophan; 1-beta-3-Indolylalanine; 1H-Indole-3-Alanine; 1beta-3-Indolylalanine; 2-Amino-3-indolylpropanoate; 2-Amino-3-indolylpropanoic acid; 3-Indol-3-ylalanine; Ardeytropin; H-TRP-oh; Indole-3-alanine; Kalma; L-(-)-tryptophan; L-Tryptophan; 3-(1H-indol-3-yl)-L-Alanine; L-alpha-amino-3-indolepropionic acid; L-alpha-aminoindole-3-propionic acid; L-beta-3-indolylalanine; L-tryptofan; L-tryptophane; Lopac-T-0254; Lyphan; Optimax; Pacitron; Sedanoct; Triptofano; Trofan; Tryptacin; Tryptan; Tryptophan; Tryptophane; Tryptophanum; alpha'-Amino-3-indolepropionic acid; alpha-Aminoindole-3-propionic acid; l-b-3-Indolylalanine; (S)-alpha-Amino-1H-indole-3-propanoate; (S)-alpha-Aminoindole-3-propionate; (s)-alpha-amino-beta-indolepropionate; (2S)-2-amino-3-(1H-indol-3-yl)propanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB03339	D-Glutamic acid	C5H9NO4	147.05316	NA  ;SYN:a-keto-d-Guanidinovaleric acid; d-Guanidino-a-oxovaleric acid; d-Guanido-a-ketovaleric acid; 2-Oxo-5-guanidinovaleric acid; 5-Guanidino-2-oxovaleric acid; alpha-keto-delta-Guanidinovaleric acid; delta-Guanidino-alpha-oxovaleric acid; delta-Guanido-alpha-ketovaleric acid; 5-(diaminomethylideneamino)-2-oxopentanoic acid; 5-(diaminomethylideneamino)-2-oxopentanoateH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB00148	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03339	D-Glutamate	C5H9NO4	147.05316	http://www.hmdb.ca/metabolites/HMDB03339	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00148	L-Glutamic acid	C5H9NO4	147.05316	HMDB00148	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02393	N-Methyl-D-aspartic acid	C5H9NO4	147.05316	HMDB02393	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02931	N-Acetylserine	C5H9NO4	147.05316	HMDB02931	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03011	O-Acetylserine	C5H9NO4	147.05316	HMDB03011	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03339	D-Glutamate	C5H9NO4	147.05316	HMDB03339	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06556	L-4-Hydroxyglutamate semialdehyde	C5H9NO4	147.05316	HMDB06556	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00148	L-Glutamic acid	C5H9NO4	147.053162	NA	HMDB2010	NA	NA
+HMDB02393	N-Methyl-D-aspartic acid	C5H9NO4	147.053162	NA	HMDB2010	NA	NA
+HMDB02931	N-Acetylserine	C5H9NO4	147.053162	NA	HMDB2010	NA	NA
+HMDB03011	O-Acetylserine	C5H9NO4	147.053162	NA	HMDB2010	NA	NA
+HMDB03339	D-Glutamic acid	C5H9NO4	147.053162	NA	HMDB2010	NA	NA
+HMDB06556	L-4-Hydroxyglutamate semialdehyde	C5H9NO4	147.053162	NA	HMDB2010	NA	NA
+EUR551	glutamic acid	[M-H]+	147.053175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR551	glutamic acid	[M-H]+	147.053175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR551	glutamic acid	[M-H]+	147.053175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR551	glutamic acid	[M-H]+	147.053175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR028	L-glutamic acid	C5H9NO4	147.0532	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR028	L-glutamic acid	C5H9NO4	147.0532	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR028	L-glutamic acid	C5H9NO4	147.0532	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR028	L-glutamic acid	C5H9NO4	147.0532	Wishlist	Inhousejuil11	NA	NA
+C00025	L-Glutamate	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C00217	D-Glutamate	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C00302	DL-Glutamate	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C00979	O-Acetyl-L-serine	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C00980	Polyvinyl alcohol	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C03618	L-threo-3-Methylaspartate	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C03790	N-(Carboxymethyl)-D-alanine	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C03791	N-Acetyl-alpha-melanotropin	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C03792	N-Acyl-D-mannosaminolactone	C7H10NO6R	147.0532	NA	KEGG	NA	NA
+C05574	Isoglutamate	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C05938	L-4-Hydroxyglutamate semialdehyde	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C05941	2-Oxo-4-hydroxy-5-aminovalerate	C5H9NO4	147.0532	NA	KEGG	NA	NA
+C12269	N-Methyl-D-aspartic acid	C5H9NO4	147.0532	NA	KEGG	NA	NA
+PJ000014	E 	C5H9NO4	147.0532	NA	PeJP	NA	NA
+8250	CaMPDE inhibitor	EF	147.055	MH2+	Inhouse_peptide	NA	peptide
+8251	Renin inhibitor	EF	147.055	MH2+	Inhouse_peptide	NA	peptide
+PFEM050F1	L-glutamic acid	F1	147.0605	NA	Inhouse_original	NA	NA
+CJneg0130	Adipic acid [M-H]- (13C)	C5[13]CH9O4	147.061825	C18rt(min)=5.1 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0130	Adipic acid [M-H]- (13C)	C5[13]CH9O4	147.061825	C18rt(min)=5.1 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002154	Albizziine 	C4H9N3O3	147.064391	NA	MeJP	NA	NA
+C08264	L-Albizziine	C4H9N3O3	147.0644	NA	KEGG	NA	NA
+C02366	3-Methyloxindole	C9H9NO	147.0684	NA	KEGG	NA	NA
+C14639	2-Indanone oxime	C9H9NO	147.0684	NA	KEGG	NA	NA
+HMDB05785	Indole-3-carbinol	C9H9NO	147.06841	http://www.hmdb.ca/metabolites/HMDB05785	HMDB	NA	NA
+HMDB05785	Indole-3-carbinol	C9H9NO	147.06841	HMDB05785	PFEM_hmdb_metabocards_official	NA	NA
+MJ002155	1-(2-Aminophenyl)-2-propen-1-one 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002156	1-(2-Furanylmethyl)-1H-pyrrole 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002157	1-Methyloxindole 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002158	1H-Indole-7-methanol 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002159	3-Hydroxyphenylacetic acid; Me ether, nitrile 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002160	3-Phenyl-2-propenoic acid, Amide 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002161	Coelobillardierine; 7,8-Didehydro 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MJ002162	Coelobillardierine; Ketone 	C9H9NO	147.068413	NA	MeJP	NA	NA
+MetaCyc00915	3-methyloxindole [3-methyl-1,3-dihydroindol-2-one;]	C9H9N1O1	147.068414	NA	metacyc	NA	NA
+HMDB05785	Indole-3-carbinol	C9H9NO	147.06842	NA	HMDB2010	NA	NA
+C17245	5-Methylthiopentanaldoxime	C6H13NOS	147.0718	NA	KEGG	NA	NA
+CJneg0131	Dihydrothymine isomer [(M-H)+(H2O)]- (13C)	C413CH9N2O3	147.073025	C18rt(min)=5.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0131	Dihydrothymine isomer [(M-H)+(H2O)]- (13C)	C413CH9N2O3	147.073025	C18rt(min)=5.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3381	ACE inhibitor	LY	147.0735	MH2+	Inhouse_peptide	NA	peptide
+3383	ACE inhibitor	IY	147.0735	MH2+	Inhouse_peptide	NA	peptide
+3550	ACE inhibitor (from bovine beta-Lg)	YL	147.0735	MH2+	Inhouse_peptide	NA	peptide
+7872	peptide from soybean protein isolates: beta-conglycinin and glycinin	LY	147.0735	MH2+	Inhouse_peptide	NA	peptide
+7873	peptide from soybean protein isolates: beta-conglycinin and glycinin	IY	147.0735	MH2+	Inhouse_peptide	NA	peptide
+8310	Anxiolytic peptide	YL	147.0735	MH2+	Inhouse_peptide	NA	peptide
+MJ002163	N-(Hydrazinohydrazonomethyl)glycine 	C3H9N5O2	147.075624	NA	MeJP	NA	NA
+MJ002164	[1-(Hydrazinoiminomethyl)hydrazino]acetic acid 	C3H9N5O2	147.075624	NA	MeJP	NA	NA
+MJ002165	[2-(Hydrazinoiminomethyl)hydrazino]acetic acid 	C3H9N5O2	147.075624	NA	MeJP	NA	NA
+CJneg0132	Pantothenic acid [(M-H)-(C3H4O2)]-	C6H12O3N	147.089025	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0132	Pantothenic acid [(M-H)-(C3H4O2)]-	C6H12O3N	147.089025	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C10144	Fagomine	C6H13NO3	147.0895	NA	KEGG	NA	NA
+MJ002166	2-(Hydroxymethyl)-3,4-piperidinediol 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002167	2-Amino-3-hydroxy-4-methylpentanoic acid 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002168	2-Amino-4-hydroxy-3,3-dimethylbutanoic acid 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002169	2-Amino-4-hydroxy-3-methylpentanoic acid 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002170	2-Amino-4-hydroxy-4-methylpentanoic acid 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002171	2-Amino-4-hydroxybutanoic acid, Et ether 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002172	2-Amino-5-hydroxyhexanoic acid 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002173	3,4-Dihydroxy-2-(hydroxymethyl)-5-methylpyrrolidine 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002174	3-Amino-2,3,6-trideoxy-arabino-hexose 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002175	3-Amino-2,3,6-trideoxy-lyxo-hexose 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002176	3-Amino-2,3,6-trideoxy-ribo-hexose 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002177	Oxibetaine 	C6H13NO3	147.089543	NA	MeJP	NA	NA
+MJ002178	1,2,3,4-Tetrahydroquinoline; N-Me 	C10H13N	147.104799	NA	MeJP	NA	NA
+MJ002179	2,3,4,5-Tetrahydro-1H-2-benzazepine 	C10H13N	147.104799	NA	MeJP	NA	NA
+MJ002180	5,6,7,8-Tetrahydro-4-methylquinoline 	C10H13N	147.104799	NA	MeJP	NA	NA
+MJ002181	Actinidine 	C10H13N	147.104799	NA	MeJP	NA	NA
+C09910	Actinidine	C10H13N	147.1048	NA	KEGG	NA	NA
+MJ002182	Trimethyl[3-(methylthio)propyl]ammonium(1+) 	C7H18NS(+)	147.10817	NA	MeJP	NA	NA
+3515	ACE inhibitor	GGY	147.5525	MH2+	Inhouse_peptide	NA	peptide
+3741	Immunomodulating peptide	YGG	147.5525	MH2+	Inhouse_peptide	NA	peptide
+7647	ACE inhibitor	YGG	147.5525	MH2+	Inhouse_peptide	NA	peptide
+7682	ACE inhibitor from garlic	NY	147.55295	MH2+	Inhouse_peptide	NA	peptide
+C07490	Trichloroethanol	C2H3Cl3O	147.9249	NA	KEGG	NA	NA
+MJ002183	2,2,2-Trichloroethanol 	C2H3Cl3O	147.924947	NA	MeJP	NA	NA
+C11352	5,6-Dichloro-1,3-cyclohexadiene	C6H6Cl2	147.9847	NA	KEGG	NA	NA
+C11353	2-Hydroxy-3-chloropenta-2,4-dienoate	C5H5ClO3	147.9927	NA	KEGG	NA	NA
+MJ002184	Hydroxyoxobutanedioic acid 	C4H4O6	148.000787	NA	MeJP	NA	NA
+MJ002185	2-Hydroxy-3-oxosuccinate 	C4H4O6	148.000787	NA	MeJP	NA	NA
+MJ002186	Dihydroxyfumarate 	C4H4O6	148.000787	NA	MeJP	NA	NA
+MetaCyc00916	2-hydroxy-3-oxosuccinate [Oxaloglycolate;]	C4H4O6	148.000788	NA	metacyc	NA	NA
+MetaCyc00917	dihydroxyfumarate [Dihydroxyfumaric acid;]	C4H4O6	148.000788	133-38-0	metacyc	NA	NA
+HMDB02050	Dihydroxyfumarate	C4H4O6	148.00079	http://www.hmdb.ca/metabolites/HMDB02050	HMDB	NA	NA
+HMDB02050	Dihydroxyfumarate	C4H4O6	148.00079	HMDB02050	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02050	Dihydroxyfumaric acid	C4H4O6	148.000793	NA	HMDB2010	NA	NA
+C00975	Dihydroxyfumarate	C4H4O6	148.0008	NA	KEGG	NA	NA
+C03459	2-Hydroxy-3-oxosuccinate	C4H4O6	148.0008	NA	KEGG	NA	NA
+JH017	Phloroglucinol [M+Na]+	NA	148.0159	4.44	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH017	Phloroglucinol [M+Na]+	NA	148.0159	4.44	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH017	Phloroglucinol [M+Na]+	NA	148.0159	4.44	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH017	Phloroglucinol [M+Na]+	NA	148.0159	4.44	Inhousejuil11	NA	NA
+C01180	4-Methylthio-2-oxobutanoic acid	C5H8O3S	148.0194	NA	KEGG	NA	NA
+HMDB01553	2-Oxo-4-methylthiobutanoic acid	C5H8O3S	148.019409	NA	HMDB2010	NA	NA
+MJ002187	4-Methylthio-2-oxobutanoate 	C5H8O3S	148.019414	NA	MeJP	NA	NA
+MetaCyc00918	2-oxo-4-methylthiobutanoate [2-keto-4-methylthiobutyrate;4-methylthio-2-oxobutanoate;&alpha;-keto-4-methylthiobutyrate;4-methylthio-2-ketobutyrate;4-methylthio-2-ketobutanoate;4-methylthio-2-oxobutyrate;2-ketomethiobutyrate;KMTB;&alpha;-ketomethiobutyrate;2-keto-4-methylthiobutyric acid;&alpha;-ketomethiobutyric acid;&alpha;-keto-&gamma;-methylthiobutyrate;&alpha;-keto-&gamma;-methylthiobutyric acid;2-oxo-4-methylthiobutanoic acid;]	C5H8O3S1	148.019415	NA	metacyc	NA	NA
+HMDB01553	2-Oxo-4-methylthiobutanoic acid	C5H8O3S	148.01942	http://www.hmdb.ca/metabolites/HMDB01553	HMDB	NA	NA
+HMDB01553	2-Oxo-4-methylthiobutanoic acid	C5H8O3S	148.01942	HMDB01553	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00694	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01900	Ribonolactone	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB01900	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00428	3-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00428	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00606	D-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00606	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00694	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00694	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01900	Ribonolactone	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB01900	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00694	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01900	Ribonolactone	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB01900	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00426	Citramalic acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00426	HMDB	NA	NA
+HMDB00428	3-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00428	HMDB	NA	NA
+HMDB00606	D-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00606	HMDB	NA	NA
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00694	HMDB	NA	NA
+HMDB01900	Ribonolactone	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB01900	HMDB	NA	NA
+HMDB00428	3-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00428	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00606	D-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00606	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	http://www.hmdb.ca/metabolites/HMDB00694	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00426	Citramalic acid	C5H8O5	148.03717	HMDB00426	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00428	3-Hydroxyglutaric acid	C5H8O5	148.03717	HMDB00428	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00606	D-2-Hydroxyglutaric acid	C5H8O5	148.03717	HMDB00606	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	HMDB00694	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01900	Ribonolactone	C5H8O5	148.03717	HMDB01900	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00426	Citramalic acid	C5H8O5	148.03717	NA	HMDB2010	NA	NA
+HMDB00428	3-Hydroxyglutaric acid	C5H8O5	148.03717	NA	HMDB2010	NA	NA
+HMDB00606	D-2-Hydroxyglutaric acid	C5H8O5	148.03717	NA	HMDB2010	NA	NA
+HMDB00694	L-2-Hydroxyglutaric acid	C5H8O5	148.03717	NA	HMDB2010	NA	NA
+HMDB01900	Ribonolactone	C5H8O5	148.03717	NA	HMDB2010	NA	NA
+HMDB11676	D-Xylono-1,5-lactone	C5H8O5	148.03717	NA	HMDB2010	NA	NA
+MJ002188	2-Hydroxy-2-methylbutanedioic acid 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002189	L-Xylono-1,4-lactone 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002190	(R)-2-Methylmalate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002191	(S)-2-Methylmalate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002192	2-Dehydro-3-deoxy-D-arabinonate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002193	2-Dehydro-3-deoxy-D-xylonate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002194	2-Dehydro-3-deoxy-L-arabinonate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002195	2-Hydroxyglutarate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002196	D-Xylonolactone 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002197	D-erythro-3-Methylmalate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002198	D-threo-3-Methylmalate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MJ002199	L-threo-3-Methylmalate 	C5H8O5	148.037173	NA	MeJP	NA	NA
+MetaCyc00919	S-citramalate [&alpha;-methylmalate;(S)-2-methylmalic acid;(3S)-citramalate;(3S)-citramalic acid;(3S)-&alpha;-hydroxypyrotartaric acid;(S)-2-methylmalate;L-citramalic acid;L-&alpha;-hydroxypyrotartaric acid;L-citramalate;S-citramalic acid;S-&alpha;-hydroxypyrotartaric acid;citramalate;2-methylmalate;L-(+)-citramalate;]	C5H8O5	148.037173	2306-22-1	metacyc	NA	NA
+MetaCyc00920	(R)-2-hydroxyglutarate [(R)-2-hydroxyglutaric acid;2-hydroxyglutarate;2-hydroxyglutaric acid;hydroxyglutarate;hydroxyglutaric acid;]	C5H8O5	148.037173	13095-47-1	metacyc	NA	NA
+MetaCyc00921	L-xylono-1,4-lactone []	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00922	L-Arabino-1,5-lactone []	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00923	D-xylono-1,4-lactone []	C5H8O5	148.037173	15384-37-9	metacyc	NA	NA
+MetaCyc00924	&beta;-methyl-D-malate [erythro-&beta;-methyl-D-malate;]	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00925	(S)-2-Hydroxyglutarate [(S)-2-Hydroxyglutaric acid;2-Hydroxyglutarate;2-Hydroxyglutaric acid;]	C5H8O5	148.037173	13095-48-2	metacyc	NA	NA
+MetaCyc00926	L-arabinono-1,4-lactone []	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00927	D-xylonolactone [D-xylono-1,5-lactone;]	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00928	D-arabinono-1,4-lactone []	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00929	(R)-citramalate [(R)-2-methylmalic acid;(3R)-citramalate;(3R)-citramalic acid;(3R)-&alpha;-hydroxypyrotartaric acid;D-citramalate;D-citramalic acid;D-&alpha;-hydroxypyrotartaric acid;(R)-2-methylmalate;(R)-(-)-citramalic acid;]	C5H8O5	148.037173	10/08/6236	metacyc	NA	NA
+MetaCyc00930	2-dehydro-3-deoxy-L-pentonate [2-dehydro-3-deoxy-L-xylonate;]	C5H8O5	148.037173	3495-27-0	metacyc	NA	NA
+MetaCyc00931	2-dehydro-3-deoxy-D-pentonate [2-dehydro-3-deoxy-D-xylonate;]	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00932	2-dehydro-3-deoxy-L-arabinonate []	C5H8O5	148.037173	NA	metacyc	NA	NA
+MetaCyc00933	2-hydroxyglutarate [2-hydroxyglutaric acid;&alpha;-hydroxyglutarate;&alpha;-hydroxy-glutarate;2-hydroxyglutarate;]	C5H8O5	148.037173	2889-31-8	metacyc	NA	NA
+MetaCyc00934	2-dehydro-3-deoxy-D-arabinonate []	C5H8O5	148.037173	NA	metacyc	NA	NA
+C00652	D-Arabinono-1,4-lactone	C5H8O5	148.0372	NA	KEGG	NA	NA
+C00653	Poly(ribitol phosphate)	C5H8O5	148.0372	NA	KEGG	NA	NA
+C00684	2-Dehydro-3-deoxy-L-arabinonate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C00685	3-Oxoacyl-[acyl-carrier protein]	C3H2O2SR2	148.0372	NA	KEGG	NA	NA
+C00686	N-Acyl-D-mannosamine 6-phosphate	C7H13NO9PR	148.0372	NA	KEGG	NA	NA
+C00815	Citramalate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C00816	Collagenase	C5H8O5	148.0372	NA	KEGG	NA	NA
+C01087	(R)-2-Hydroxyglutarate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C01114	L-Arabinono-1,4-lactone	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02266	D-Xylonolactone	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02612	(R)-2-Methylmalate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02613	(S)-2-Hydroxy acid	C2H3O3R	148.0372	NA	KEGG	NA	NA
+C02614	(S)-2-Methylmalate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02630	2-Hydroxyglutarate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02753	D-Xylono-1,4-lactone	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02754	Yeast cytochrome c	C5H8O5	148.0372	NA	KEGG	NA	NA
+C02755	[Glu(-Cys)]n+1-Gly	C10H17N3O6S	148.0372	NA	KEGG	NA	NA
+C02756	[Xanthine oxidase]	C10H17N3O6S	148.0372	NA	KEGG	NA	NA
+C02757	alpha-L-Rhamnoside	C6H11O5R	148.0372	NA	KEGG	NA	NA
+C02758	alpha-Melanotropin	C6H11O5R	148.0372	NA	KEGG	NA	NA
+C02994	L-Xylono-1,4-lactone	C5H8O5	148.0372	NA	KEGG	NA	NA
+C03196	(S)-2-Hydroxyglutarate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C03826	2-Dehydro-3-deoxy-D-xylonate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C05405	L-Arabinono-1,5-lactone	C5H8O5	148.0372	NA	KEGG	NA	NA
+C06029	L-threo-3-Methylmalate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C06031	D-threo-3-Methylmalate	C5H8O5	148.0372	NA	KEGG	NA	NA
+C06032	D-erythro-3-Methylmalate	C5H8O5	148.0372	NA	KEGG	NA	NA
+CJneg0133	Citric acid [(M-H)-(CO2)]-	C5H7O5	148.037725	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0133	Citric acid [(M-H)-(CO2)]-	C5H7O5	148.037725	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002200	1-Methylpropyl vinyl disulfide 	C6H12S2	148.038041	NA	MeJP	NA	NA
+MJ002201	1-Propenyl propyl disulfide 	C6H12S2	148.038041	NA	MeJP	NA	NA
+MJ002202	2-Propenyl propyl disulfide 	C6H12S2	148.038041	NA	MeJP	NA	NA
+MJ002203	3-Propyl-1,2-dithiolane 	C6H12S2	148.038041	NA	MeJP	NA	NA
+2749	ion flow regulating peptide	DY	148.04495	MH2+	Inhouse_peptide	NA	peptide
+C03015	O-Carbamoyl-L-serine	C4H8N2O4	148.0484	NA	KEGG	NA	NA
+C03016	O-Phosphotropomyosin	C4H7N2O6PR2	148.0484	NA	KEGG	NA	NA
+C03124	beta-L-Aspartylhydroxamate	C4H8N2O4	148.0484	NA	KEGG	NA	NA
+C03125	L-Cysteinyl-tRNA(Cys)	C18H26N6O11PSR	148.0484	NA	KEGG	NA	NA
+MJ002204	2,3-Diaminobutanedioic acid 	C4H8N2O4	148.048406	NA	MeJP	NA	NA
+MJ002205	O-Carbamoylserine 	C4H8N2O4	148.048406	NA	MeJP	NA	NA
+MJ002206	N-Carbamoylsarcosine 	C4H8N2O4	148.048406	NA	MeJP	NA	NA
+MetaCyc00935	O-carbamoyl-L-serine []	C4H8N2O4	148.048407	2105-23-9	metacyc	NA	NA
+MetaCyc00936	L-aspartylhydroxamate []	C4H8N2O4	148.048407	NA	metacyc	NA	NA
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR338	Phenylalanine F2	NA	148.051875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR338	Phenylalanine F2	NA	148.051875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJpos0288	Phenylalanine [(M+H)-(NH3)]+	C9H9O2	148.051875	C18rt(min)=4.46 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR338	Phenylalanine F2	NA	148.051875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0288	Phenylalanine [(M+H)-(NH3)]+	C9H9O2	148.051875	C18rt(min)=4.46 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR338	Phenylalanine F2	NA	148.051875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR338	Phenylalanine F2	F2	148.051875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH064	Phenylalanine [M+H-NH3]+	NA	148.0524	1.66	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH064	Phenylalanine [M+H-NH3]+	NA	148.0524	1.66	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH064	Phenylalanine [M+H-NH3]+	NA	148.0524	1.66	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH064	Phenylalanine [M+H-NH3]+	NA	148.0524	1.66	Inhousejuil11	NA	NA
+C00423	trans-Cinnamate	C9H8O2	148.0524	NA	KEGG	NA	NA
+C02274	Dihydrocoumarin	C9H8O2	148.0524	NA	KEGG	NA	NA
+C05608	4-Hydroxycinnamyl aldehyde	C9H8O2	148.0524	NA	KEGG	NA	NA
+C07720	3-Hydroxy-1-indanone	C9H8O2	148.0524	NA	KEGG	NA	NA
+C07728	3-Isochromanone	C9H8O2	148.0524	NA	KEGG	NA	NA
+C10438	Cinnamic acid	C9H8O2	148.0524	NA	KEGG	NA	NA
+C17268	Pyruvophenone	C9H8O2	148.0524	NA	KEGG	NA	NA
+HMDB00567	Cinnamic acid	C9H8O2	148.052429	NA	HMDB2010	NA	NA
+HMDB00930	trans-Cinnamic acid	C9H8O2	148.052429	NA	HMDB2010	NA	NA
+MJ002207	2-Methyl-1,4-benzenedicarboxaldehyde 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002208	2-Octene-4,6-diynoic acid; Me ester 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002209	3,4-Dihydro-2H-1-benzopyran-2-one 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002210	3,5,7-Nonatriyne-1,2-diol 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002211	3-(2-Hydroxyphenyl)-2-propenal 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002212	3-(4-Hydroxyphenyl)-2-propenal 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002213	3-Hydroxy-1-indanone 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002214	3-Isochromanone 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002215	3-Phenyl-2-propenoic acid 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002216	4,6,8-Nonatriyne-1,2-diol 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002217	4-(1,3-Butadiynyl)-4-cyclopentene-1,3-diol 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002218	4-(2,3-Butadienyl)-2H-pyran-2-one 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002219	4-Hydroxycinnamyl aldehyde 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002220	4-Nonene-6,8-diynoic acid 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002221	5-Benzofuranol; Me ether 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002222	5-Hydroxymethylbenzofuran 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002223	Di-2-furanylmethane 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002224	Dihydrocoumarin 	C9H8O2	148.052429	NA	MeJP	NA	NA
+MJ002225	trans-Cinnamate 	C9H8O2	148.052429	NA	MeJP	NA	NA
+HMDB00567	Cinnamic acid	C9H8O2	148.05243	http://www.hmdb.ca/metabolites/HMDB00567	HMDB	NA	NA
+MetaCyc00937	coumaraldehyde []	C9H8O2	148.05243	NA	metacyc	NA	NA
+MetaCyc00938	trans-cinnamate [&beta;-phenylacrylic acid;3-phenyl-2-propenoic acid;cinnamic acid;cinnamate;trans-cinnamic acid;(E)-cinnamate;]	C9H8O2	148.05243	140-10-3	metacyc	NA	NA
+MetaCyc00939	3-isochromanone []	C9H8O2	148.05243	NA	metacyc	NA	NA
+MetaCyc00940	dihydrocoumarin [meliotine;2-chromanone;melilotin;melilotol;melilotic lactone;hydrocinnamic acid, o-hydroxy-,lactone;hydrocoumarin;2H-1-benzopyran-2-one, 3,4-dihydro-;3,4-dihydrocoumarin;1,2-benzodihydropyrone;]	C9H8O2	148.05243	119-84-6	metacyc	NA	NA
+MetaCyc00941	3-hydroxy-1-indanone []	C9H8O2	148.05243	NA	metacyc	NA	NA
+HMDB00567	Cinnamic acid	C9H8O2	148.05243	HMDB00567	PFEM_hmdb_metabocards_official	NA	NA
+3385	ACE inhibitor	MF	148.0542	MH2+	Inhouse_peptide	NA	peptide
+MJ002226	3-(Methylthio)propanoic acid; Et ester 	C6H12O2S	148.0558	NA	MeJP	NA	NA
+CJpos0289	(2-methoxyethoxy)propanoic acid [(M+H)]+	C6H13O4	148.072975	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0290	(2-methoxyethoxy)propanoic acid [(M+H)]+	C6H13O4	148.072975	C18rt(min)=4.75 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0291	Mevalonic acid isomer [(M+H)]+	C6H13O4	148.072975	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0292	Mevalonic acid isomer [(M+H)]+	C6H13O4	148.072975	C18rt(min)=5.18 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0289	(2-methoxyethoxy)propanoic acid [(M+H)]+	C6H13O4	148.072975	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0290	(2-methoxyethoxy)propanoic acid [(M+H)]+	C6H13O4	148.072975	C18rt(min)=4.75 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0291	Mevalonic acid isomer [(M+H)]+	C6H13O4	148.072975	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0292	Mevalonic acid isomer [(M+H)]+	C6H13O4	148.072975	C18rt(min)=5.18 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002227	1,2,3,4-Cyclohexanetetrol 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002228	1,2,4,5-Cyclohexanetetrol 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002229	2,3-Dihydroxy-3-methylpentanoic acid 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002230	2,4-Dihydroxy-3,3-dimethylbutanoic acid 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002231	2,6-Dideoxy-arabino-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002232	2,6-Dideoxy-lyxo-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002233	2,6-Dideoxy-ribo-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002234	2,6-Dideoxy-xylo-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002235	3,5-Dihydroxy-3-methylpentanoic acid 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002236	3,6-Dideoxy-arabino-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002237	3,6-Dideoxy-ribo-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002238	3,6-Dideoxy-xylo-hexose 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002239	3-Ethoxy-2-oxobutanal, Hydrate 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002240	(R)-2,3-Dihydroxy-3-methylpentanoate 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002241	(R)-Mevalonate 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MJ002242	(R)-Pantoate 	C6H12O4	148.073558	NA	MeJP	NA	NA
+MetaCyc00942	(R)-mevalonate [mevalonate;mevalonic acid;]	C6H12O4	148.073559	150-97-0	metacyc	NA	NA
+MetaCyc00943	L-pantoate [pantoate;(R)-pantoate;]	C6H12O4	148.073559	470-29-1	metacyc	NA	NA
+MetaCyc00944	(S)-Mevalonate [(S)-Mevalonic acid;(S)-3,5-Dihydroxy-3-methylvaleric acid;]	C6H12O4	148.073559	150-97-0	metacyc	NA	NA
+MetaCyc00945	2,3-dihydroxy-3-methylvalerate [(R)-2,3-Dihydroxy-3-methylpentanoate;(R)-2,3-Dihydroxy-3-methylvalerate;2,3-dihydroxy-3-methylpentanoate;]	C6H12O4	148.073559	NA	metacyc	NA	NA
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	http://www.hmdb.ca/metabolites/HMDB00227	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	http://www.hmdb.ca/metabolites/HMDB00227	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	http://www.hmdb.ca/metabolites/HMDB00227	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	http://www.hmdb.ca/metabolites/HMDB00227	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	http://www.hmdb.ca/metabolites/HMDB00227	HMDB	NA	NA
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	http://www.hmdb.ca/metabolites/HMDB00227	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00227	Mevalonic acid	C6H12O4	148.07356	HMDB00227	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00227	Mevalonic acid	C6H12O4	148.073563	NA	HMDB2010	NA	NA
+HMDB12140	(R) 2,3-Dihydroxy-3-methylvalerate	C6H12O4	148.073563	NA	HMDB2010	NA	NA
+C00418	(R)-Mevalonate	C6H12O4	148.0736	NA	KEGG	NA	NA
+C00419	Polynucleotide	C10H17O10PR2	148.0736	NA	KEGG	NA	NA
+C00420	Polysaccharide	C12H22O11	148.0736	NA	KEGG	NA	NA
+C00421	Collagen type V	C12H22O11	148.0736	NA	KEGG	NA	NA
+C00422	Triacylglycerol	C6H5O6R3	148.0736	NA	KEGG	NA	NA
+C00522	(R)-Pantoate	C6H12O4	148.0736	NA	KEGG	NA	NA
+C02104	(S)-Mevalonate	C6H12O4	148.0736	NA	KEGG	NA	NA
+C03348	3,6-Dideoxy-L-galactose	C6H12O4	148.0736	NA	KEGG	NA	NA
+C04104	2,3-Dihydroxy-3-methylpentanoate	C6H12O4	148.0736	NA	KEGG	NA	NA
+C06007	(R)-2,3-Dihydroxy-3-methylpentanoate	C6H12O4	148.0736	NA	KEGG	NA	NA
+C06471	Abequose	C6H12O4	148.0736	NA	KEGG	NA	NA
+CJneg0134	(2-methoxyethoxy)propanoic acid [(M-H)]-	C6H11O4	148.074125	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0135	(2-methoxyethoxy)propanoic acid [(M-H)]-	C6H11O4	148.074125	C18rt(min)=4.75 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0136	Mevalonic acid isomer [(M-H)]-	C6H11O4	148.074125	C18rt(min)=4.55 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0134	(2-methoxyethoxy)propanoic acid [(M-H)]-	C6H11O4	148.074125	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0135	(2-methoxyethoxy)propanoic acid [(M-H)]-	C6H11O4	148.074125	C18rt(min)=4.75 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0136	Mevalonic acid isomer [(M-H)]-	C6H11O4	148.074125	C18rt(min)=4.55 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002243	2,5-Diamino-3-hydroxypentanoic acid 	C5H12N2O3	148.084792	NA	MeJP	NA	NA
+MJ002244	2,5-Diamino-4-hydroxypentanoic acid 	C5H12N2O3	148.084792	NA	MeJP	NA	NA
+MJ002245	N5-Hydroxyornithine 	C5H12N2O3	148.084792	NA	MeJP	NA	NA
+MJ002246	O-(2-Aminoethyl)serine 	C5H12N2O3	148.084792	NA	MeJP	NA	NA
+CJpos0293	Heptylmalonic acid  [(M+H)-3(H2O)]+	C10H13O	148.088275	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0293	Heptylmalonic acid  [(M+H)-3(H2O)]+	C10H13O	148.088275	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C06577	p-Cumic aldehyde	C10H12O	148.0888	NA	KEGG	NA	NA
+C10428	Anethole	C10H12O	148.0888	NA	KEGG	NA	NA
+C10452	Estragole	C10H12O	148.0888	NA	KEGG	NA	NA
+C14309	5,6,7,8-Tetrahydro-2-naphthol	C10H12O	148.0888	NA	KEGG	NA	NA
+C17965	trans-Lachnophyllol	C10H12O	148.0888	NA	KEGG	NA	NA
+MJ002247	p-Cumic aldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002248	2,3,4-Trimethylbenzaldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002249	2,3,6-Trimethylbenzaldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002250	2,4,5-Trimethylbenzaldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002251	2,4,6-Trimethylbenzaldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002252	2,6,8-Decatrien-4-yn-1-ol 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002253	2,6-Decadien-4-ynal 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002254	2-Decene-4,6-diyn-1-ol 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002255	3,4,5-Trimethylbenzaldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002256	3,7-Dimethyl-2,6-octadien-4-ynal 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002257	3-(4-Methyl-1,4-pentadienyl)furan 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002258	4-(1-Propenyl)phenol, Me ether 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002259	4-(2-Propenyl)phenol; Me ether 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002260	4-Isopropyl-2,4,6-cycloheptatrienone 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002261	4-Isopropylbenzaldehyde 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002262	8-Decene-4,6-diyn-1-ol 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002263	p-Mentha-1,3,5,8-tetraen-2-ol 	C10H12O	148.088815	NA	MeJP	NA	NA
+MJ002264	?-Clausenan 	C10H12O	148.088815	NA	MeJP	NA	NA
+MetaCyc00946	methylchavicol [estragole;]	C10H12O1	148.088815	NA	metacyc	NA	NA
+MetaCyc00947	p-cumic aldehyde [cuminaldehyde;cuminal;cuminic aldehyde;cumaldehyde;4-isopropylbenzaldehyde;]	C10H12O1	148.088815	122-03-2	metacyc	NA	NA
+HMDB02214	Cuminaldehyde	C10H12O	148.08882	http://www.hmdb.ca/metabolites/HMDB02214	HMDB	NA	NA
+HMDB02214	Cuminaldehyde	C10H12O	148.08882	HMDB02214	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02214	Cuminaldehyde	C10H12O	148.088821	NA	HMDB2010	NA	NA
+MJ002265	3-Mercapto-1-hexanol, S-Me 	C7H16OS	148.092185	NA	MeJP	NA	NA
+C06524	Nornicotine	C9H12N2	148.1	NA	KEGG	NA	NA
+C11360	(+)-Nornicotine	C9H12N2	148.1	NA	KEGG	NA	NA
+MJ002266	3-(2-Pyrrolidinyl)pyridine 	C9H12N2	148.100048	NA	MeJP	NA	NA
+MetaCyc00948	nornicotine []	C9H12N2	148.100048	NA	metacyc	NA	NA
+HMDB01126	Nornicotine	C9H12N2	148.10005	http://www.hmdb.ca/metabolites/HMDB01126	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01126	Nornicotine	C9H12N2	148.10005	http://www.hmdb.ca/metabolites/HMDB01126	HMDB	NA	NA
+HMDB01126	Nornicotine	C9H12N2	148.10005	http://www.hmdb.ca/metabolites/HMDB01126	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01126	Nornicotine	C9H12N2	148.10005	HMDB01126	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01126	Nornicotine	C9H12N2	148.100052	NA	HMDB2010	NA	NA
+C16993	Ectocarpen	C11H16	148.1252	NA	KEGG	NA	NA
+MJ002267	1,3,5,8-Undecatetraene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002268	1-(1,3-Hexadienyl)-2-vinylcyclopropane 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002269	1-(2-Pentenyl)-1,3-cyclohexadiene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002270	1-Isopropyl-2,4-dimethylbenzene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002271	1-tert-Butyl-3-methylbenzene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002272	1-tert-Butyl-4-methylbenzene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002273	2,4,6,8-Undecatetraene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002274	3-(1-Butenyl)-4-vinylcyclopentene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002275	4-(1,3-Hexadienyl)-1-cyclopentene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002276	4-(1-Propenyl)-5-vinylcyclohexene 	C11H16	148.1252	NA	MeJP	NA	NA
+MJ002277	6-(1-Butenyl)-1,4-cycloheptadiene 	C11H16	148.1252	NA	MeJP	NA	NA
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	148.5226595	MH2+	Inhouse_peptide	NA	peptide
+MJ002278	2-Amino-4-chloro-4-pentenoic acid 	C5H8ClNO2	149.024356	NA	MeJP	NA	NA
+MJ002279	2-Amino-5-chloro-4-pentenoic acid 	C5H8ClNO2	149.024356	NA	MeJP	NA	NA
+MJ002280	3-Chloro-4-hydroxy-2-piperidinone 	C5H8ClNO2	149.024356	NA	MeJP	NA	NA
+MetaCyc00949	L-2-amino-4-chloropent-4-enoate [2-amino-4-chloro-4-pentenoic acid;]	C5H8N1O2CL1	149.024356	55528-30-8	metacyc	NA	NA
+C04075	L-2-Amino-4-chloropent-4-enoate	C5H8ClNO2	149.0244	NA	KEGG	NA	NA
+C02660	Benzyl thiocyanate	C8H7NS	149.0299	NA	KEGG	NA	NA
+C03098	Benzyl isothiocyanate	C8H7NS	149.0299	NA	KEGG	NA	NA
+C03101	Coagulation Factor IX	C8H7NS	149.0299	NA	KEGG	NA	NA
+C03102	Coagulation Factor XI	C8H7NS	149.0299	NA	KEGG	NA	NA
+C03103	Cyclobutadipyrimidine	C8H7NS	149.0299	NA	KEGG	NA	NA
+MJ002281	2-Methylbenzothiazole 	C8H7NS	149.029919	NA	MeJP	NA	NA
+MJ002282	Benzyl isothiocyanate 	C8H7NS	149.029919	NA	MeJP	NA	NA
+MJ002283	Benzyl thiocyanate 	C8H7NS	149.029919	NA	MeJP	NA	NA
+MetaCyc00950	benzyl thiocyanate []	C8H7N1S1	149.02992	3012-37-1	metacyc	NA	NA
+MetaCyc00951	benzylisothiocyanate []	C8H7N1S1	149.02992	622-78-6	metacyc	NA	NA
+C03961	erythro-3-Hydroxy-Ls-aspartate	C4H7NO5	149.0324	NA	KEGG	NA	NA
+C11511	threo-3-Hydroxy-L-aspartate	C4H7NO5	149.0324	NA	KEGG	NA	NA
+MJ002284	2-Amino-3-hydroxybutanedioic acid 	C4H7NO5	149.032422	NA	MeJP	NA	NA
+MJ002285	N-Hydroxyaspartic acid 	C4H7NO5	149.032422	NA	MeJP	NA	NA
+MetaCyc00952	erythro-3-hydroxy-L-aspartate [erythro-3-hydroxy-L-aspartic acid;erythro-3-hydroxy-Ls-aspartate;]	C4H7N1O5	149.032422	NA	metacyc	NA	NA
+PFEM057F1	Methionine	F1	149.0332	NA	Inhouse_original	NA	NA
+MJ002286	4-Dimethylamino-1,2-dithiolane 	C5H11NS2	149.03329	NA	MeJP	NA	NA
+MJ002287	Diethyldithiocarbamic acid 	C5H11NS2	149.03329	NA	MeJP	NA	NA
+C11474	Nereistoxin	C5H11NS2	149.0333	NA	KEGG	NA	NA
+C11475	DNA containing guanine	C10H14N5O7P	149.0333	NA	KEGG	NA	NA
+CJneg0137	Creatinine (and isomer) [(M+Cl)]-	C4H7ClN3O	149.036125	C18rt(min)=0.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0137	Creatinine (and isomer) [(M+Cl)]-	C4H7ClN3O	149.036125	C18rt(min)=0.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR347	Pyridoxal F2	NA	149.037775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR347	Pyridoxal F2	NA	149.037775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR347	Pyridoxal F2	NA	149.037775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR347	Pyridoxal F2	NA	149.037775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR347	Pyridoxal F2	F2	149.037775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ002288	2,3-Diaminopropanoic acid, N3-Nitro 	C3H7N3O4	149.043655	NA	MeJP	NA	NA
+MJ002289	Alanosine 	C3H7N3O4	149.043655	NA	MeJP	NA	NA
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR298	Vitamine B6 F3	NA	149.044975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR298	Vitamine B6 F3	NA	149.044975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR298	Vitamine B6 F3	NA	149.044975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR298	Vitamine B6 F3	NA	149.044975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR298	Vitamin B6 F3	F3	149.044975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ002290	(2,4-Dihydroxyphenyl)acetic acid; Nitrile 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002291	1H-Indole-2,5-diol 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002292	1H-Indole-5,6-diol 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002293	1H-Indole-6,7-diol 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002294	2-Hydroxy-2-isocyano-4-vinyl-3-cyclopenten-1-one 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002295	5-Hydroxy-3-isocyano-5-vinyl-2-cyclopenten-1-one 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002296	Gentianadine 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002297	2,3-Dihydroxyindole 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002298	5,6-Dihydroxyindole 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002299	Indole-5,6-quinone 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002300	2-Formylaminobenzaldehyde 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MJ002301	4-Hydroxymandelonitrile 	C8H7NO2	149.047678	NA	MeJP	NA	NA
+MetaCyc00953	dioxindole []	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+MetaCyc00954	5,6-dihydroxyindole []	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+MetaCyc00955	(S)-4-hydroxymandelonitrile [4-hydroxymandelonitrile;]	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+MetaCyc00956	benzoxazin-3-one []	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+MetaCyc00957	3-hydroxyindolin-2-one []	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+MetaCyc00958	2-formylaminobenzaldehyde []	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+MetaCyc00959	2,3-dihydroxyindole []	C8H7N1O2	149.047678	NA	metacyc	NA	NA
+HMDB04058	5,6-Dihydroxyindole	C8H7NO2	149.04768	http://www.hmdb.ca/metabolites/HMDB04058	HMDB	NA	NA
+HMDB04058	5,6-Dihydroxyindole	C8H7NO2	149.04768	HMDB04058	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04058	5,6-Dihydroxyindole	C8H7NO2	149.047684	NA	HMDB2010	NA	NA
+C00650	4-Hydroxymandelonitrile	C8H7NO2	149.0477	NA	KEGG	NA	NA
+C02775	2,3-Dihydroxyindole	C8H7NO2	149.0477	NA	KEGG	NA	NA
+C03574	2-Formylaminobenzaldehyde	C8H7NO2	149.0477	NA	KEGG	NA	NA
+C03742	(S)-4-Hydroxymandelonitrile	C8H7NO2	149.0477	NA	KEGG	NA	NA
+C05578	5,6-Dihydroxyindole	C8H7NO2	149.0477	NA	KEGG	NA	NA
+C09957	Gentianadine	C8H7NO2	149.0477	NA	KEGG	NA	NA
+C11130	3-Hydroxyindolin-2-one	C8H7NO2	149.0477	NA	KEGG	NA	NA
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR290	Methionine F1	NA	149.048875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR290	Methionine F1	NA	149.048875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0294	Methionine (and isomer) [M+H]+	C5H12O2NS	149.050475	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0294	Methionine (and isomer) [M+H]+	C5H12O2NS	149.050475	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00073	L-Methionine	C5H11NO2S	149.051	NA	KEGG	NA	NA
+C00855	D-Methionine	C5H11NO2S	149.051	NA	KEGG	NA	NA
+C00856	DNA cytosine	C9H14N3O7P	149.051	NA	KEGG	NA	NA
+C01733	Methionine	C5H11NO2S	149.051	NA	KEGG	NA	NA
+C07418	Penicillamine	C5H11NO2S	149.051	NA	KEGG	NA	NA
+C07419	Transferred to D00497	C5H11NO2S	149.051	NA	KEGG	NA	NA
+MJ002302	Methionine 	C5H11NO2S	149.051049	NA	MeJP	NA	NA
+MJ002303	Penicillamine 	C5H11NO2S	149.051049	NA	MeJP	NA	NA
+MJ002304	L-Methionine 	C5H11NO2S	149.051049	NA	MeJP	NA	NA
+MetaCyc00960	L-methionine [M;met;methionine;]	C5H11N1O2S1	149.051049	63-68-3	metacyc	NA	NA
+MetaCyc00961	D-methionine [D-2-amino-4-(methylthio)butyric acid;]	C5H11N1O2S1	149.051049	348-67-4	metacyc	NA	NA
+HMDB00696	L-Methionine	C5H11NO2S	149.051056	NA	HMDB2010	NA	NA
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	http://www.hmdb.ca/metabolites/HMDB00696	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	http://www.hmdb.ca/metabolites/HMDB00696	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	http://www.hmdb.ca/metabolites/HMDB00696	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	http://www.hmdb.ca/metabolites/HMDB00696	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	http://www.hmdb.ca/metabolites/HMDB00696	HMDB	NA	NA
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	Short chain acyl carnitines  ;SYN:O-Butanoylcarnitine;(R)-3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-Propanaminium; (3-carboxy-2-hydroxypropyl)trimethyl-L-butyrate;  ester with (3-carboxy-2-hydroxypropyl)trimethylammonium  L-Butyric acid; ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium Butyric acid; Butyryl-L-carnitine; L-Carnitine butyryl ester; n-Butyryl-L(-)-carnitineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	http://www.hmdb.ca/metabolites/HMDB00696	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00696	L-Methionine	C5H11NO2S	149.05106	HMDB00696	PFEM_hmdb_metabocards_official	NA	NA
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	PFEM_hmdb_metabocards_urine	NA	urine
+EUR034	Methionine	C5H11NO2S	149.0511	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR616	Methionine 	[M+H]+	149.0511	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR034	Methionine	C5H11NO2S	149.0511	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR616	Methionine 	[M+H]+	149.0511	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR034	Methionine	C5H11NO2S	149.0511	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR616	Methionine 	[M+H]+	149.0511	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	HMDB	NA	NA
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	Inhouse_PFEM	NA	NA
+LABER003	Methionine	NA	149.0511	150.0583	Inhouse_sept12	NA	NA
+EUR034	Methionine	C5H11NO2S	149.0511	Wishlist	Inhousejuil11	NA	NA
+EUR616	Methionine 	[M+H]+	149.0511	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	Inhousejuil11	NA	NA
+PJ000015	M 	C5H11NO2S	149.0511	NA	PeJP	NA	NA
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	PFEM_hmdb_metabocards_blood	NA	blood
+LABER003	Methionine	HMDB00696_RT1.93_add133,104,102	149.0511	RT 2.86 fragt 150, 133, 56, 61, 104	PFEM_hmdb_metabocards_official	NA	NA
+MJ002305	2-Amino-2-deoxylyxose 	C5H11NO4	149.068807	NA	MeJP	NA	NA
+MJ002306	2-Amino-2-deoxyribose 	C5H11NO4	149.068807	NA	MeJP	NA	NA
+MJ002307	2-Amino-2-deoxyxylose 	C5H11NO4	149.068807	NA	MeJP	NA	NA
+MJ002308	2-Amino-4,5-dihydroxypentanoic acid 	C5H11NO4	149.068807	NA	MeJP	NA	NA
+MJ002309	3-Amino-3-deoxyribose 	C5H11NO4	149.068807	NA	MeJP	NA	NA
+MJ002310	4-Amino-4-deoxyarabinose 	C5H11NO4	149.068807	NA	MeJP	NA	NA
+MetaCyc00962	N,N-dihydroxyvaline []	C5H11N1O4	149.068808	NA	metacyc	NA	NA
+MetaCyc00963	4-amino-4-deoxy-L-arabinose [L-Ara4N;]	C5H11N1O4	149.068808	NA	metacyc	NA	NA
+CJpos0295	Methyladenine isomers [(M+H)]+	C6H8N5	149.069575	C18rt(min)=1.06 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0295	Methyladenine isomers [(M+H)]+	C6H8N5	149.069575	C18rt(min)=1.06 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00913	3-Methyladenine	C6H7N5	149.0701	NA	KEGG	NA	NA
+C02216	1-Methyladenine	C6H7N5	149.0701	NA	KEGG	NA	NA
+C02241	7-Methyladenine	C6H7N5	149.0701	NA	KEGG	NA	NA
+C08434	6-Methylaminopurine	C6H7N5	149.0701	NA	KEGG	NA	NA
+HMDB02099	6-Methyladenine	C6H7N5	149.07014	http://www.hmdb.ca/metabolites/HMDB02099	HMDB	NA	NA
+HMDB02099	6-Methyladenine	C6H7N5	149.07014	HMDB02099	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02099	6-Methyladenine	C6H7N5	149.070145	NA	HMDB2010	NA	NA
+HMDB11599	1-Methyladenine	C6H7N5	149.070145	NA	HMDB2010	NA	NA
+HMDB11600	3-Methyladenine	C6H7N5	149.070145	NA	HMDB2010	NA	NA
+HMDB11614	7-Methyladenine	C6H7N5	149.070145	NA	HMDB2010	NA	NA
+MJ002311	6-Amino-2-methylpurine 	C6H7N5	149.070145	NA	MeJP	NA	NA
+MJ002312	6-Amino-3-methylpurine 	C6H7N5	149.070145	NA	MeJP	NA	NA
+MJ002313	Adenine; 6N-Me 	C6H7N5	149.070145	NA	MeJP	NA	NA
+MJ002314	Spongopurine 	C6H7N5	149.070145	NA	MeJP	NA	NA
+MetaCyc00964	1-methyladenine []	C6H7N5	149.070145	5142-22-3	metacyc	NA	NA
+CJpos0296	(2-methoxyethoxy)propanoic acid [(M+H)]+ (13C)	C513CH13O4	149.076375	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0296	(2-methoxyethoxy)propanoic acid [(M+H)]+ (13C)	C513CH13O4	149.076375	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002315	2-Amino-1-phenyl-1-propanone 	C9H11NO	149.084063	NA	MeJP	NA	NA
+MJ002316	Coelobillardierine 	C9H11NO	149.084063	NA	MeJP	NA	NA
+MJ002317	Isogentialutine 	C9H11NO	149.084063	NA	MeJP	NA	NA
+MJ002318	Venoterpine 	C9H11NO	149.084063	NA	MeJP	NA	NA
+C08301	D-Cathinone	C9H11NO	149.0841	NA	KEGG	NA	NA
+C17236	3-Phenylpropionaldoxim	C9H11NO	149.0841	NA	KEGG	NA	NA
+CJpos0297	Choline [(M)+(HCOOH)]+	C6H16NO3	149.104675	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0297	Choline [(M)+(HCOOH)]+	C6H16NO3	149.104675	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002319	Tris(2-hydroxyethyl)amine 	C6H15NO3	149.105193	NA	MeJP	NA	NA
+MJ002320	Triethanolamine 	C6H15NO3	149.105193	NA	MeJP	NA	NA
+C06771	Triethanolamine	C6H15NO3	149.1052	NA	KEGG	NA	NA
+C07164	Methamphetamine	C10H15N	149.1204	NA	KEGG	NA	NA
+C07438	Phentermine	C10H15N	149.1204	NA	KEGG	NA	NA
+C07439	Transferred to D00509	C10H15N	149.1204	NA	KEGG	NA	NA
+C11001	2,6-Diethylaniline	C10H15N	149.1204	NA	KEGG	NA	NA
+MJ002321	1-Phenyl-2-propylamine, N-Me 	C10H15N	149.120449	NA	MeJP	NA	NA
+MJ002322	2,3,4,5-Tetrahydro-6-(1,3-pentadienyl)pyridine 	C10H15N	149.120449	NA	MeJP	NA	NA
+MJ002323	2-Methyl-1-phenyl-2-propylamine 	C10H15N	149.120449	NA	MeJP	NA	NA
+MJ002324	2-Phenyl-1-propylamine, N-Me 	C10H15N	149.120449	NA	MeJP	NA	NA
+MJ002325	2-Phenylethylamine; N,N-Di-Me 	C10H15N	149.120449	NA	MeJP	NA	NA
+MJ002326	3,4-Dihydro-3-methyl-5-(1,3-pentadienyl)-2H-pyrrole 	C10H15N	149.120449	NA	MeJP	NA	NA
+MJ002327	Ortetamine 	C10H15N	149.120449	NA	MeJP	NA	NA
+MetaCyc00965	phentermine [duromine;ionamin;fastin;ortetamine;lipopill;mirapront;]	C10H15N1	149.120449	NA	metacyc	NA	NA
+3507	ACE inhibitor (beta-LG fr, 78-80)	IPA	149.5865	MH2+	Inhouse_peptide	NA	peptide
+3597	ACE inhibitor	AIP	149.5865	MH2+	Inhouse_peptide	NA	peptide
+7570	ACE inhibitor from chicken muscle	LAP	149.5865	MH2+	Inhouse_peptide	NA	peptide
+7819	ACE inhibitor from wheat gliadin	IAP	149.5865	MH2+	Inhouse_peptide	NA	peptide
+8304	Dipeptidyl peptidase IV inhibitor	IPA	149.5865	MH2+	Inhouse_peptide	NA	peptide
+41	Muscle	LAP	149.587	MH2+	Inhouse_peptide	NA	peptide
+MJ002328	Sodium iodide 	INa	149.894238	NA	MeJP	NA	NA
+C01892	Asparagusate	C4H6O2S2	149.9809	NA	KEGG	NA	NA
+MetaCyc00966	asparagusate []	C4H6O2S2	149.980921	02/04/2224	metacyc	NA	NA
+C14872	Thiodiacetic acid	C4H6O4S	149.9987	NA	KEGG	NA	NA
+MJ002329	1-Bromopentane 	C5H11Br	150.004413	NA	MeJP	NA	NA
+MJ002330	5-(1-Propynyl)-2-thiophenecarboxaldehyde 	C8H6OS	150.013935	NA	MeJP	NA	NA
+C00552	meso-Tartaric acid	C4H6O6	150.0164	NA	KEGG	NA	NA
+C00898	(R,R)-Tartaric acid	C4H6O6	150.0164	NA	KEGG	NA	NA
+C02107	(S,S)-Tartaric acid	C4H6O6	150.0164	NA	KEGG	NA	NA
+HMDB00956	Tartaric acid	C4H6O6	150.01643	http://www.hmdb.ca/metabolites/HMDB00956	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00956	Tartaric acid	C4H6O6	150.01643	http://www.hmdb.ca/metabolites/HMDB00956	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00956	Tartaric acid	C4H6O6	150.01643	http://www.hmdb.ca/metabolites/HMDB00956	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00956	Tartaric acid	C4H6O6	150.01643	http://www.hmdb.ca/metabolites/HMDB00956	HMDB	NA	NA
+HMDB00956	Tartaric acid	C4H6O6	150.01643	HMDB00956	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00956	Tartaric acid	C4H6O6	150.016434	NA	HMDB2010	NA	NA
+MJ002331	(R,R)-Tartaric acid 	C4H6O6	150.016437	NA	MeJP	NA	NA
+MJ002332	meso-Tartaric acid 	C4H6O6	150.016437	NA	MeJP	NA	NA
+MJ002333	Tartaric acid 	C4H6O6	150.016437	NA	MeJP	NA	NA
+MetaCyc00967	tartrate [Weinsaeure;(+)-tartrate;L-tartrate;tartaric acid;(R,R)-tartrate;L-tartaric acid;]	C4H6O6	150.016438	87-69-4	metacyc	NA	NA
+MetaCyc00968	meso-tartrate [meso-tartaric acid;meso-tartrate;mesotartaric acid;]	C4H6O6	150.016438	147-73-9	metacyc	NA	NA
+MetaCyc00969	D-tartrate [(-)-tartrate;unnatural tartrate;D-tartarate;(S,S)-tartrate;D-tartaric acid;]	C4H6O6	150.016438	NA	metacyc	NA	NA
+HMDB00292	Xanthine	C5H2N4O2	150.01778	http://www.hmdb.ca/metabolites/HMDB00292	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00292	Xanthine	C5H2N4O2	150.01778	http://www.hmdb.ca/metabolites/HMDB00292	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00292	Xanthine	C5H2N4O2	150.01778	http://www.hmdb.ca/metabolites/HMDB00292	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00292	Xanthine	C5H2N4O2	150.01778	http://www.hmdb.ca/metabolites/HMDB00292	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00292	Xanthine	C5H2N4O2	150.01778	http://www.hmdb.ca/metabolites/HMDB00292	HMDB	NA	NA
+HMDB00292	Xanthine	C5H2N4O2	150.01778	http://www.hmdb.ca/metabolites/HMDB00292	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00292	Xanthine	C5H2N4O2	150.01778	HMDB00292	PFEM_hmdb_metabocards_official	NA	NA
+JH071	Vanillic acid [M+H-H20]+	NA	150.03116	11.79	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH071	Vanillic acid [M+H-H20]+	NA	150.03116	11.79	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH071	Vanillic acid [M+H-H20]+	NA	150.03116	11.79	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH071	Vanillic acid [M+H-H20]+	NA	150.03116	11.79	Inhousejuil11	NA	NA
+HMDB01587	Phenylglyoxylic acid	C8H6O3	150.03169	http://www.hmdb.ca/metabolites/HMDB01587	HMDB	NA	NA
+HMDB01587	Phenylglyoxylic acid	C8H6O3	150.03169	HMDB01587	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01587	Phenylglyoxylic acid	C8H6O3	150.031693	NA	HMDB2010	NA	NA
+MJ002334	3,4-Methylenedioxybenzaldehyde 	C8H6O3	150.031694	NA	MeJP	NA	NA
+MJ002335	4-Hydroxy-1,3-benzenedicarboxaldehyde 	C8H6O3	150.031694	NA	MeJP	NA	NA
+MJ002336	4-Hydroxyphthalide 	C8H6O3	150.031694	NA	MeJP	NA	NA
+MJ002337	7-Hydroxyphthalide 	C8H6O3	150.031694	NA	MeJP	NA	NA
+MJ002338	8-Hydroxy-2-octene-4,6-diynoic acid 	C8H6O3	150.031694	NA	MeJP	NA	NA
+MJ002339	alpha-Oxo-benzeneacetic acid 	C8H6O3	150.031694	NA	MeJP	NA	NA
+MetaCyc00970	phenylglyoxylate []	C8H6O3	150.031694	NA	metacyc	NA	NA
+MetaCyc00971	benzoylformate [Benzoylformic acid;Phenylglyoxylic acid;]	C8H6O3	150.031694	611-73-4	metacyc	NA	NA
+MetaCyc00972	2-carboxybenzaldehyde [Phthalaldehydic acid;o-formylbenzoic acid;o-formylbenzoate;2-formylbenzoate;]	C8H6O3	150.031694	119-67-5	metacyc	NA	NA
+MetaCyc00973	4-carboxybenzaldehyde []	C8H6O3	150.031694	619-66-9	metacyc	NA	NA
+C02137	alpha-Oxo-benzeneacetic acid	C8H6O3	150.0317	NA	KEGG	NA	NA
+C03057	2-Carboxybenzaldehyde	C8H6O3	150.0317	NA	KEGG	NA	NA
+C10812	Piperonal	C8H6O3	150.0317	NA	KEGG	NA	NA
+MJ002340	2,4-Dihydroxy-3-pyridinecarboxylic acid; 4-Me ether, nitrile 	C7H6N2O2	150.042927	NA	MeJP	NA	NA
+MJ002341	2,4-Dihydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, nitrile 	C7H6N2O2	150.042927	NA	MeJP	NA	NA
+MJ002342	4-Diazo-3-methoxy-2,5-cyclohexadien-1-one 	C7H6N2O2	150.042927	NA	MeJP	NA	NA
+MJ002343	4-Hydroxy-3-pyridinecarboxylic acid; OH-form, Me ether, nitrile, N-oxide 	C7H6N2O2	150.042927	NA	MeJP	NA	NA
+C16631	alpha-Fluoro-beta-ureidopropionic acid	C4H7FN2O3	150.0441	NA	KEGG	NA	NA
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	HMDB	NA	NA
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	Inhouse_PFEM	NA	NA
+C00121	D-Ribose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00181	D-Xylose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00216	D-Arabinose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00259	L-Arabinose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00309	D-Ribulose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00310	D-Xylulose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00312	L-Xylulose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00476	D-Lyxose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C00508	L-Ribulose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C01394	Xylose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C01396	5S-rRNA	C5H10O5	150.0528	NA	KEGG	NA	NA
+C01488	D-Apiose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C01508	L-Lyxose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C01510	L-Xylose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C02096	beta-D-Xylose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C02204	alpha-D-Lyxose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C02205	alpha-D-Xylose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C02479	beta-L-Arabinose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C02604	alpha-L-Arabinose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C02605	beta-L-Rhamnoside	C6H11O5R	150.0528	NA	KEGG	NA	NA
+C02607	kappa-Carrageenan	C6H11O5R	150.0528	NA	KEGG	NA	NA
+C05052	Ribulose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C05056	cis-2-Enoyl-CoA	C24H37N7O17P3SR	150.0528	NA	KEGG	NA	NA
+C05057	cis-3-Enoyl-CoA	C25H39N7O17P3SR	150.0528	NA	KEGG	NA	NA
+C06115	L-Arabinofuranose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C08346	beta-D-Apiose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C08353	beta-D-Ribopyranose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C08354	alpha-D-Ribulose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C11476	L-Arabinose	C5H10O5	150.0528	NA	KEGG	NA	NA
+C11477	Sugar	C5H10O5	150.0528	NA	KEGG	NA	NA
+C11478	tRNA containing 5-aminomethyl-2-thiouridine	C10H16N3O8PS	150.0528	NA	KEGG	NA	NA
+C16639	beta-D-Ribofuranose	C5H10O5	150.0528	NA	KEGG	NA	NA
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC030	UNKNOWN signif manip paracetamol	NA	150.0528	RT4.5	PFEM_hmdb_metabocards_official	NA	NA
+MJ002344	L-Arabino-1,4-lactone 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002345	L-Arabino-1,5-lactone 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002346	D-Lyxose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002347	D-Ribose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002348	D-Ribulose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002349	D-Xylose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002350	D-Xylulose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002351	L-Arabinose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002352	L-Lyxose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002353	L-Ribulose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002354	L-Xylose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002355	L-Xylulose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002356	2,4-Dihydroxy-2-(hydroxymethyl)butanoic acid 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002357	Apiose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002358	Arabinose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002359	Lyxose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002360	Ribose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002361	Xylose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MJ002362	threo-2-Pentulose 	C5H10O5	150.052823	NA	MeJP	NA	NA
+MetaCyc00974	pentose-ring []	C5H10O5	150.052823	NA	metacyc	NA	NA
+MetaCyc00975	apiose [D-apiose;]	C5H10O5	150.052823	NA	metacyc	NA	NA
+MetaCyc00976	D-ribulose [D-erythro-pentulose;D-erythropentulose;erythropentulose;]	C5H10O5	150.052823	5556-48-9	metacyc	NA	NA
+MetaCyc00977	L-ribulose [ribulose;]	C5H10O5	150.052823	2042-27-5	metacyc	NA	NA
+MetaCyc00978	L-xylulose [xylulose;]	C5H10O5	150.052823	527-50-4	metacyc	NA	NA
+MetaCyc00979	L-xylose []	C5H10O5	150.052823	609-06-3	metacyc	NA	NA
+MetaCyc00980	L-lyxose []	C5H10O5	150.052823	1949-78-6	metacyc	NA	NA
+MetaCyc00981	L-ribose []	C5H10O5	150.052823	NA	metacyc	NA	NA
+MetaCyc00982	D-xylose [xylose;&alpha;-D-xylose;]	C5H10O5	150.052823	58-86-6	metacyc	NA	NA
+MetaCyc00983	D-ribose [&alpha;-D-ribose;ribose;&alpha;-D-ribose-5;]	C5H10O5	150.052823	50-69-1	metacyc	NA	NA
+MetaCyc00984	D-lyxose []	C5H10O5	150.052823	65-42-9	metacyc	NA	NA
+MetaCyc00985	D-arabinose [arabinose;]	C5H10O5	150.052823	10323-20-3	metacyc	NA	NA
+MetaCyc00986	xylulose [D-xylulose;D-threo-pentulose;]	C5H10O5	150.052823	551-84-8	metacyc	NA	NA
+MetaCyc00987	&beta;-L-arabinose []	C5H10O5	150.052823	NA	metacyc	NA	NA
+MetaCyc00988	&alpha;-L-arabinose [arabinose;]	C5H10O5	150.052823	147-81-9	metacyc	NA	NA
+MetaCyc00989	D-Lyxose []	C5H10O5	150.052823	1114-34-7	metacyc	NA	NA
+HMDB00098	D-Xylose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB00283	D-Ribose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB00366	2-Deoxyribonic acid	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB00621	D-Ribulose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB00646	L-Arabinose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB01644	D-Xylulose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB03371	L-Ribulose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB12194	Beta-D-ribopyranose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB12325	Arabinofuranose	C5H10O5	150.052826	NA	HMDB2010	NA	NA
+HMDB00098	D-Xylose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00098	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00283	D-Ribose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00283	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00646	L-Arabinose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00646	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00751	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01644	D-Xylulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB01644	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00098	D-Xylose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00098	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00283	D-Ribose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00283	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00646	L-Arabinose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00646	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00751	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01644	D-Xylulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB01644	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00098	D-Xylose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00098	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00283	D-Ribose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00283	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00646	L-Arabinose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00646	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00751	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01644	D-Xylulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB01644	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00098	D-Xylose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00098	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00283	D-Ribose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00283	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00646	L-Arabinose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00646	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00751	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01644	D-Xylulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB01644	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00098	D-Xylose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00098	HMDB	NA	NA
+HMDB00283	D-Ribose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00283	HMDB	NA	NA
+HMDB00366	2-Deoxyribonic acid	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00366	HMDB	NA	NA
+HMDB00621	D-Ribulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00621	HMDB	NA	NA
+HMDB00646	L-Arabinose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00646	HMDB	NA	NA
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00751	HMDB	NA	NA
+HMDB01644	D-Xylulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB01644	HMDB	NA	NA
+HMDB03371	L-Ribulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB03371	HMDB	NA	NA
+HMDB00098	D-Xylose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00098	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00283	D-Ribose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00283	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00646	L-Arabinose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00646	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB00751	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01644	D-Xylulose	C5H10O5	150.05283	http://www.hmdb.ca/metabolites/HMDB01644	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00098	D-Xylose	C5H10O5	150.05283	HMDB00098	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00283	D-Ribose	C5H10O5	150.05283	HMDB00283	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00366	2-Deoxyribonic acid	C5H10O5	150.05283	HMDB00366	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00621	D-Ribulose	C5H10O5	150.05283	HMDB00621	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00646	L-Arabinose	C5H10O5	150.05283	HMDB00646	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00751	L-Threo-2-pentulose	C5H10O5	150.05283	HMDB00751	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01644	D-Xylulose	C5H10O5	150.05283	HMDB01644	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03371	L-Ribulose	C5H10O5	150.05283	HMDB03371	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0138	Pentose [(M-H)]-	C5H9O5	150.053325	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0139	Hexose [(M-H)-(CH2O)]-	C5H9O5	150.053325	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0138	Pentose [(M-H)]-	C5H9O5	150.053325	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0139	Hexose [(M-H)-(CH2O)]-	C5H9O5	150.053325	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0298	Methylinosine [(M+H)-(C5H8O4)]+	C6H7N4O	150.053575	C18rt(min)=4.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0298	Methylinosine [(M+H)-(C5H8O4)]+	C6H7N4O	150.053575	C18rt(min)=4.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002363	Diisopropyl disulfide 	C6H14S2	150.053691	NA	MeJP	NA	NA
+MJ002364	Dipropyl disulfide 	C6H14S2	150.053691	NA	MeJP	NA	NA
+MJ002365	Ethyl 1-methylpropyl disulfide 	C6H14S2	150.053691	NA	MeJP	NA	NA
+C08373	Dipropyl disulfide	C6H14S2	150.0537	NA	KEGG	NA	NA
+HMDB13141	1-Methylhypoxanthine	C6H6N4O	150.054153	NA	HMDB2010	NA	NA
+MJ002366	Dezaguanine 	C6H6N4O	150.05416	NA	MeJP	NA	NA
+JH128	Hydroferulic acid [M+H-HCOOH]+	NA	150.0625	12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH128	Hydroferulic acid [M+H-HCOOH]+	NA	150.0625	12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH128	Hydroferulic acid [M+H-HCOOH]+	NA	150.0625	12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH128	Hydroferulic acid [M+H-HCOOH]+	NA	150.0625	12.75	Inhousejuil11	NA	NA
+MJ002367	2,6-Purinediamine 	C5H6N6	150.065394	NA	MeJP	NA	NA
+MJ002368	2'-Hydroxy-4'-methylacetophenone 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002369	2'-Hydroxy-6'-methylacetophenone 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002370	2,5-Dimethylbenzoic acid 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002371	2-(2-Furanyl)-3-methyl-2-butenal 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002372	2-Nonene-4,6-diyne-1,9-diol 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002373	3'-Hydroxy-4'-methylacetophenone 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002374	3,4-Dimethylbenzoic acid 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002375	3-Phenylpropanoic acid 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002376	4'-Hydroxyacetophenone; Me ether 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002377	4-(2-Propenyl)-1,2-benzenediol 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002378	4-Methylphenol; Ac 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002379	5-Ethyl-2-hydroxy-2,4,6-cycloheptatrien-1-one 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002380	7,8-Epoxy-3,5-nonadiyn-1-ol 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002381	Benzoic acid; Et ester 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002382	Benzyl acetate 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002383	Phenylacetic acid; Me ester 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002384	Propyl-1,4-benzoquinone 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002385	Trimethyl-1,4-benzoquinone 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002386	4-Coumaryl alcohol 	C9H10O2	150.068079	NA	MeJP	NA	NA
+MJ002387	Phenylpropanoate 	C9H10O2	150.068079	NA	MeJP	NA	NA
+HMDB00764	Hydrocinnamic acid	C9H10O2	150.06808	http://www.hmdb.ca/metabolites/HMDB00764	HMDB	NA	NA
+HMDB02097	4-Ethylbenzoic acid	C9H10O2	150.06808	http://www.hmdb.ca/metabolites/HMDB02097	HMDB	NA	NA
+HMDB02222	3-Methylphenylacetic acid	C9H10O2	150.06808	http://www.hmdb.ca/metabolites/HMDB02222	HMDB	NA	NA
+HMDB02237	3,4-Dimethylbenzoic acid	C9H10O2	150.06808	http://www.hmdb.ca/metabolites/HMDB02237	HMDB	NA	NA
+HMDB03654	4-Coumaryl alcohol	C9H10O2	150.06808	http://www.hmdb.ca/metabolites/HMDB03654	HMDB	NA	NA
+MetaCyc00990	benzylacetate []	C9H10O2	150.06808	NA	metacyc	NA	NA
+MetaCyc00991	4-vinylguaiacol []	C9H10O2	150.06808	NA	metacyc	NA	NA
+MetaCyc00992	3-phenylpropionate [3-phenylpropionic acid;hydrocinnamic acid;HCA;Phenylpropanoate;]	C9H10O2	150.06808	2628-17-3	metacyc	NA	NA
+MetaCyc00993	coumaryl-alcohol []	C9H10O2	150.06808	NA	metacyc	NA	NA
+HMDB00764	Hydrocinnamic acid	C9H10O2	150.06808	HMDB00764	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02097	4-Ethylbenzoic acid	C9H10O2	150.06808	HMDB02097	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02222	3-Methylphenylacetic acid	C9H10O2	150.06808	HMDB02222	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02237	3,4-Dimethylbenzoic acid	C9H10O2	150.06808	HMDB02237	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03654	4-Coumaryl alcohol	C9H10O2	150.06808	HMDB03654	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00764	Hydrocinnamic acid	C9H10O2	150.068085	NA	HMDB2010	NA	NA
+HMDB02097	4-Ethylbenzoic acid	C9H10O2	150.068085	NA	HMDB2010	NA	NA
+HMDB02222	3-Methylphenylacetic acid	C9H10O2	150.068085	NA	HMDB2010	NA	NA
+HMDB02237	3,4-Dimethylbenzoic acid	C9H10O2	150.068085	NA	HMDB2010	NA	NA
+HMDB03654	4-Coumaryl alcohol	C9H10O2	150.068085	NA	HMDB2010	NA	NA
+HMDB11743	2-Phenylpropionate	C9H10O2	150.068085	NA	HMDB2010	NA	NA
+C01963	Tolylacetate	C9H10O2	150.0681	NA	KEGG	NA	NA
+C02646	4-Coumaryl alcohol	C9H10O2	150.0681	NA	KEGG	NA	NA
+C05629	Phenylpropanoate	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13342	p-Hydroxypropiophenone	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13343	Transferred to D01871	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13344	Transferred to D01872	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13345	Transferred to D01873	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13346	Transferred to D01874	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13347	Transferred to D01875	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13348	Transferred to D01876	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13349	Transferred to D01877	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13350	Transferred to D01878	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13351	Transferred to D01879	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13352	Transferred to D01880	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13353	Transferred to D01881	C9H10O2	150.0681	NA	KEGG	NA	NA
+C13354	Transferred to D01882	C9H10O2	150.0681	NA	KEGG	NA	NA
+C15513	Benzyl acetate	C9H10O2	150.0681	NA	KEGG	NA	NA
+C16706	4-Hydroxydihydrocinnamaldehyde	C9H10O2	150.0681	NA	KEGG	NA	NA
+MetaCyc00994	N1-methyladenine []	C6H8N5	150.07797	NA	metacyc	NA	NA
+C17512	N-Methylanthranilamide	C8H10N2O	150.0793	NA	KEGG	NA	NA
+MJ002388	7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one 	C8H10N2O	150.079312	NA	MeJP	NA	NA
+3506	ACE inhibitor	GKP	150.0835	MH2+	Inhouse_peptide	NA	peptide
+MJ002389	1,2,4,5-Hexanetetrol 	C6H14O4	150.089208	NA	MeJP	NA	NA
+HMDB01878	Thymol	C10H14O	150.104462	NA	HMDB2010	NA	NA
+HMDB03647	Perillyl aldehyde	C10H14O	150.104462	NA	HMDB2010	NA	NA
+HMDB04487	(+)-(S)-Carvone	C10H14O	150.104462	NA	HMDB2010	NA	NA
+MJ002390	1-Acetyl-4-isopropenylcyclopentene 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002391	2(10)-Pinen-3-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002392	2,4,4-Trimethylbicyclo[3.1.1]hept-2-en-6-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002393	2,4,7-Decatrienal 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002394	2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002395	2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002396	2,6,6-Trimethyl-2,4-cycloheptadien-1-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002397	2,6,6-Trimethylbicyclo[3.2.0]hept-2-en-7-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002398	2,6-Decadien-4-yn-1-ol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002399	2-(4-Methylphenyl)-1-propanol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002400	2-(4-Methylphenyl)-2-propanol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002401	2-Caren-10-al 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002402	2-Isopropyl-4-methylphenol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002403	2-Isopropyl-5-methylphenol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002404	2-Methyl-1-phenyl-2-propanol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002405	2-Pinen-10-ol, 10-Aldehyde 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002406	2-Pinen-4-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002407	2-Pinen-6-ol, Ketone 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002408	3,6,6-Trimethyl-2,4-cycloheptadien-1-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002409	3,7-Dimethyl-2,4,6-octatrienal 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002410	3,9-Epoxy-p-mentha-1,4(8)-diene 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002411	3-(4-Methyl-3-pentenyl)furan 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002412	3-Caren-2-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002413	3-Caren-5-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002414	3-Methyl-2-(3-methyl-2-butenyl)furan 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002415	3-Thujen-10-al 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002416	3-Thujen-2-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002417	4,6-Decadiyn-1-ol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002418	4-Butylphenol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002419	4-Isopropyl-2-methylphenol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002420	4-Isopropylbenzyl alcohol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002421	5-Isopropyl-2-methylphenol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002422	Menthofuran 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002423	Teresantalol; 8-Aldehyde 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002424	p-Mentha-1,4(8)-dien-3-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002425	p-Mentha-1,8-dien-10-ol, Aldehyde 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002426	p-Mentha-1,8-dien-3-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002427	p-Mentha-1,8-dien-6-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002428	p-Mentha-1,8-dien-7-al 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002429	p-Mentha-2,4(8),5-trien-1-ol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002430	p-Mentha-3,8-dien-2-one 	C10H14O	150.104465	NA	MeJP	NA	NA
+MJ002431	p-Cumic alcohol 	C10H14O	150.104465	NA	MeJP	NA	NA
+MetaCyc00995	adamantanone [tricyclo[3.3.13,7]decan-2-one;]	C10H14O1	150.104465	700-58-3	metacyc	NA	NA
+MetaCyc00996	piperitenone []	C10H14O1	150.104465	491-09-8	metacyc	NA	NA
+MetaCyc00997	perillyl aldehyde [Perillaldehyde;]	C10H14O1	150.104465	2111-75-3	metacyc	NA	NA
+MetaCyc00998	p-cumic alcohol [4-isopropylbenzyl alcohol;cuminyl alcohol;cuminic alcohol;4-(1-methylethyl)-benzenemethanol;]	C10H14O1	150.104465	536-60-7	metacyc	NA	NA
+MetaCyc00999	(+)-sabinone []	C10H14O1	150.104465	NA	metacyc	NA	NA
+MetaCyc01000	(+)-menthofuran [menthofuran;]	C10H14O1	150.104465	NA	metacyc	NA	NA
+MetaCyc01001	(-)-isopiperitenone []	C10H14O1	150.104465	529-01-1	metacyc	NA	NA
+MetaCyc01002	(-)-carvone []	C10H14O1	150.104465	6485-40-1	metacyc	NA	NA
+HMDB01878	Thymol	C10H14O	150.10448	http://www.hmdb.ca/metabolites/HMDB01878	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01878	Thymol	C10H14O	150.10448	http://www.hmdb.ca/metabolites/HMDB01878	HMDB	NA	NA
+HMDB03647	Perillyl aldehyde	C10H14O	150.10448	http://www.hmdb.ca/metabolites/HMDB03647	HMDB	NA	NA
+HMDB04487	(+)-(S)-Carvone	C10H14O	150.10448	http://www.hmdb.ca/metabolites/HMDB04487	HMDB	NA	NA
+HMDB01878	Thymol	C10H14O	150.10448	http://www.hmdb.ca/metabolites/HMDB01878	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01878	Thymol	C10H14O	150.10448	HMDB01878	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03647	Perillyl aldehyde	C10H14O	150.10448	HMDB03647	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04487	(+)-(S)-Carvone	C10H14O	150.10448	HMDB04487	PFEM_hmdb_metabocards_official	NA	NA
+C01767	(-)-Carvone	C10H14O	150.1045	NA	KEGG	NA	NA
+C01768	(Alginate)n	C10H14O	150.1045	NA	KEGG	NA	NA
+C01868	(+)-Sabinone	C10H14O	150.1045	NA	KEGG	NA	NA
+C01951	Piperitenone	C10H14O	150.1045	NA	KEGG	NA	NA
+C01952	Polyarginine	C12H26N8O3	150.1045	NA	KEGG	NA	NA
+C02289	Isopiperitenone	C10H14O	150.1045	NA	KEGG	NA	NA
+C02485	(-)-Isopiperitenone	C10H14O	150.1045	NA	KEGG	NA	NA
+C02576	Perillyl aldehyde	C10H14O	150.1045	NA	KEGG	NA	NA
+C06576	p-Cumic alcohol	C10H14O	150.1045	NA	KEGG	NA	NA
+C09840	Carvacrol	C10H14O	150.1045	NA	KEGG	NA	NA
+C09843	Chrysanthenone	C10H14O	150.1045	NA	KEGG	NA	NA
+C09868	Menthofuran	C10H14O	150.1045	NA	KEGG	NA	NA
+C09884	Pinocarvone	C10H14O	150.1045	NA	KEGG	NA	NA
+C09908	Thymol	C10H14O	150.1045	NA	KEGG	NA	NA
+C09911	Umbellulone	C10H14O	150.1045	NA	KEGG	NA	NA
+C09913	Verbenone	C10H14O	150.1045	NA	KEGG	NA	NA
+C11383	(+)-(S)-Carvone	C10H14O	150.1045	NA	KEGG	NA	NA
+C11394	(+)-Chrysanthenone	C10H14O	150.1045	NA	KEGG	NA	NA
+C11939	Myrtenal	C10H14O	150.1045	NA	KEGG	NA	NA
+C14130	2-tert-Butylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C14138	2-sec-Butylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C14139	4-sec-Butylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C14140	Transferred to D02297	C10H14O	150.1045	NA	KEGG	NA	NA
+C14188	3-tert-Butylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C14200	4-tert-Butylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C14464	4-n-Butylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C14741	4-Isopropyl-3-methylphenol	C10H14O	150.1045	NA	KEGG	NA	NA
+C16955	Eucarvone	C10H14O	150.1045	NA	KEGG	NA	NA
+C17062	Safranal	C10H14O	150.1045	NA	KEGG	NA	NA
+C18025	(+)-Menthofuran	C10H14O	150.1045	NA	KEGG	NA	NA
+CJpos0299	Choline [(M)+(HCOOH)]+ (13C)	C513CH16NO3	150.107975	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0299	Choline [(M)+(HCOOH)]+ (13C)	C513CH16NO3	150.107975	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002432	(1-Methyl-2-phenylethyl)hydrazine 	C9H14N2	150.115698	NA	MeJP	NA	NA
+MJ002433	2,5-Dimethyl-3-propylpyrazine 	C9H14N2	150.115698	NA	MeJP	NA	NA
+MJ002434	3,5-Diethyl-2-methylpyrazine 	C9H14N2	150.115698	NA	MeJP	NA	NA
+CJpos0300	Trimethylamine oxide [(2M+H)]+	C6H19N2O2	150.136275	C18rt(min)=0.89 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0300	Trimethylamine oxide [(2M+H)]+	C6H19N2O2	150.136275	C18rt(min)=0.89 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002435	1,2,3,15-Tetranor-4,6,10-farnesatriene 	C11H18	150.14085	NA	MeJP	NA	NA
+MJ002436	1,3,5-Undecatriene 	C11H18	150.14085	NA	MeJP	NA	NA
+MJ002437	1-(1,3-Hexadienyl)-2-vinylcyclopropane, 3',4'-Dihydro 	C11H18	150.14085	NA	MeJP	NA	NA
+MJ002438	3-(1-Butenyl)-4-vinylcyclopentene, 1',2'-Dihydro 	C11H18	150.14085	NA	MeJP	NA	NA
+MJ002439	4-(1,3-Hexadienyl)-1-cyclopentene, 3',4'-Dihydro 	C11H18	150.14085	NA	MeJP	NA	NA
+MJ002440	6-Butyl-1,4-cycloheptadiene 	C11H18	150.14085	NA	MeJP	NA	NA
+7554	ACE inhibitor from Tricholoma giganteum	GEP	150.5575	MH2+	Inhouse_peptide	NA	peptide
+7817	ACE inhibitor from mushroom Tricholoma giganteum	GEP	150.5575	MH2+	Inhouse_peptide	NA	peptide
+8190	peptide from buckwheat	PW	150.5655	MH2+	Inhouse_peptide	NA	peptide
+3538	ACE inhibitor	VSP	150.576	MH2+	Inhouse_peptide	NA	peptide
+MJ002441	Iron phosphate (FePO4) 	FeO4P	150.888362	NA	MeJP	NA	NA
+MJ002442	Manganese(II) sulfate (MnSO4) 	MnO4S	150.889778	NA	MeJP	NA	NA
+HMDB01405	3-Sulfinylpyruvic acid	C3H3O5S	150.97012	http://www.hmdb.ca/metabolites/HMDB01405	HMDB	NA	NA
+HMDB01405	3-Sulfinylpyruvic acid	C3H3O5S	150.97012	HMDB01405	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01405	3-Sulfinylpyruvic acid	C3H3O5S	150.970123	NA	HMDB2010	NA	NA
+MetaCyc01003	3-hydrohydroxyphosphorylpyruvate []	C3H4O5P1	150.979635	144705-32-8	metacyc	NA	NA
+MetaCyc01004	3-mercapto-2-mercaptomethylpropanoate []	C4H7O2S2	150.988746	NA	metacyc	NA	NA
+EUR653	Selenomethionine fragment	NA	150.990775	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR653	Selenomethionine fragment	NA	150.990775	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR653	Selenomethionine fragment	NA	150.990775	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR653	Selenomethionine fragment	NA	150.990775	1.31	Inhousejuil11	NA	NA
+MJ002443	1,2-Benzisothiazol-3(2H)-one 	C7H5NOS	151.009184	NA	MeJP	NA	NA
+MJ002444	2-Benzothiazolol 	C7H5NOS	151.009184	NA	MeJP	NA	NA
+CJpos0301	Creatinine (and isomer) [(M+K)]+	C4H7KN3O	151.014275	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0301	Creatinine (and isomer) [(M+K)]+	C4H7KN3O	151.014275	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002445	3-Chloro-1H-indole 	C8H6ClN	151.018876	NA	MeJP	NA	NA
+MetaCyc01005	4-chlorophenylacetonitrile []	C8H6N1CL1	151.018877	140-53-4	metacyc	NA	NA
+C03679	4-Chlorophenylacetonitrile	C8H6ClN	151.0189	NA	KEGG	NA	NA
+C17089	6-Chloroindole	C8H6ClN	151.0189	NA	KEGG	NA	NA
+JH021	Pyroglutamic acid (DL) [M+Na]+	NA	151.0245	2.45	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH021	Pyroglutamic acid (DL) [M+Na]+	NA	151.0245	2.45	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH021	Pyroglutamic acid (DL) [M+Na]+	NA	151.0245	2.45	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH021	Pyroglutamic acid (DL) [M+Na]+	NA	151.0245	2.45	Inhousejuil11	NA	NA
+C04584	6-Imino-5-oxocyclohexa-1,3-dienecarboxylate	C7H5NO3	151.0269	NA	KEGG	NA	NA
+MJ002446	1,2-Benzisoxazole-3,6-diol 	C7H5NO3	151.026943	NA	MeJP	NA	NA
+MJ002447	4-Hydroxy-3-nitrosobenzaldehyde 	C7H5NO3	151.026943	NA	MeJP	NA	NA
+MetaCyc01006	4-nitrobenzaldehyde [4NBZ;]	C7H5N1O3	151.026943	555-16-8	metacyc	NA	NA
+MetaCyc01007	6-imino-5-oxocyclohexa-1,3-dienecarboxylate []	C7H5N1O3	151.026943	NA	metacyc	NA	NA
+MJ002448	2-Amino-3-fluorobutanedioic acid 	C4H6FNO4	151.028085	NA	MeJP	NA	NA
+MJ002449	S-Methylcysteine sulfoxide; (S)C(S)S-form 	C4H9NO3S	151.030313	NA	MeJP	NA	NA
+CJneg0140	Creatinine (and isomer) [(M+Cl)]- (37Cl)	C4H7Cl037ClN3O	151.033225	C18rt(min)=0.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0140	Creatinine (and isomer) [(M+Cl)]- (37Cl)	C4H7Cl037ClN3O	151.033225	C18rt(min)=0.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	PFEM_hmdb_metabocards_urine	NA	urine
+JH044	Guanine [M+H]+	C5H5N5O	151.0372	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH044	Guanine [M+H]+	C5H5N5O	151.0372	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH044	Guanine [M+H]+	C5H5N5O	151.0372	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	HMDB	NA	NA
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	Inhouse_PFEM	NA	NA
+JH044	Guanine [M+H]+	C5H5N5O	151.0372	1.23	Inhousejuil11	NA	NA
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	PFEM_hmdb_metabocards_blood	NA	blood
+JH044	Guanine 	C5H5N5O	151.0372	Rtobs1.23	PFEM_hmdb_metabocards_official	NA	NA
+MJ002450	2-Amino-4-chloropentanoic acid 	C5H10ClNO2	151.040006	NA	MeJP	NA	NA
+C02419	Hypotaurocyamine	C3H9N3O2S	151.0415	NA	KEGG	NA	NA
+MJ002451	2-(Hydroxymethyl)-2-nitro-1,3-propanediol 	C4H9NO5	151.048072	NA	MeJP	NA	NA
+CJpos0302	Guanine [(M+H)]+	C5H6N5O	151.048875	C18rt(min)=1.09 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0302	Guanine [(M+H)]+	C5H6N5O	151.048875	C18rt(min)=1.09 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00242	Guanine	C5H5N5O	151.0494	NA	KEGG	NA	NA
+HMDB00132	Guanine	C5H5N5O	151.049408	NA	HMDB2010	NA	NA
+HMDB00403	2-Hydroxyadenine	C5H5N5O	151.049408	NA	HMDB2010	NA	NA
+HMDB00542	8-Hydroxyadenine	C5H5N5O	151.049408	NA	HMDB2010	NA	NA
+MJ002452	Guanine 	C5H5N5O	151.049409	NA	MeJP	NA	NA
+MJ002453	4-Amino-3-hydroxy-1H-pyrazolo[3,4-d]pyrimidine 	C5H5N5O	151.049409	NA	MeJP	NA	NA
+MJ002454	6-Amino-2-hydroxypurine 	C5H5N5O	151.049409	NA	MeJP	NA	NA
+MJ002455	6-Amino-8-hydroxypurine 	C5H5N5O	151.049409	NA	MeJP	NA	NA
+MJ002456	Guanine 	C5H5N5O	151.049409	NA	MeJP	NA	NA
+HMDB00132	Guanine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00132	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00132	Guanine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00132	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00132	Guanine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00132	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00132	Guanine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00132	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00132	Guanine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00132	HMDB	NA	NA
+HMDB00403	2-Hydroxyadenine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00403	HMDB	NA	NA
+HMDB00542	8-Hydroxyadenine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00542	HMDB	NA	NA
+MetaCyc01008	guanine []	C5H5N5O1	151.04941	73-40-5	metacyc	NA	NA
+HMDB00132	Guanine	C5H5N5O	151.04941	http://www.hmdb.ca/metabolites/HMDB00132	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00132	Guanine	C5H5N5O	151.04941	HMDB00132	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00403	2-Hydroxyadenine	C5H5N5O	151.04941	HMDB00403	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00542	8-Hydroxyadenine	C5H5N5O	151.04941	HMDB00542	PFEM_hmdb_metabocards_official	NA	NA
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	HMDB	NA	NA
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	Inhouse_PFEM	NA	NA
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC015	Paracetamol	C8H9NO2	151.0558	RT5.1	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0141	Pentose [(M-H)]- (13C)	C413CH9O5	151.056725	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0141	Pentose [(M-H)]- (13C)	C413CH9O5	151.056725	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0303	Methylinosine [(M+H)-(C5H8O4)]+ (13C)	C513CH7N4O	151.056975	C18rt(min)=4.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0303	Methylinosine [(M+H)-(C5H8O4)]+ (13C)	C513CH7N4O	151.056975	C18rt(min)=4.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR254	Norepinephrine F2	NA	151.057475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR254	Norepinephrine F2	NA	151.057475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR254	Norepinephrine F2	NA	151.057475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR254	Norépinephrine F2	F2	151.057475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR254	Norepinephrine F2	NA	151.057475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR254	Norepinephrine F2	F2	151.057475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR320	Pyridoxine F2	NA	151.059475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR320	Pyridoxine F2	NA	151.059475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR320	Pyridoxine F2	NA	151.059475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR320	Pyridoxine F2	NA	151.059475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR320	Pyridoxine F2	F2	151.059475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0304	Hippuric acid [(M+H)-(CO)]+	C8H10NO2	151.062775	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0305	Acetaminophen [(M+H)]+	C8H10NO2	151.062775	C18rt(min)=4.86 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0306	Acetaminophen glucuronide [(M+H)-(C6H8O6)]+	C8H10NO2	151.062775	C18rt(min)=4.12 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0307	Acetaminophen isomer [(M+H)]+	C8H10NO2	151.062775	C18rt(min)=5.7 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0304	Hippuric acid [(M+H)-(CO)]+	C8H10NO2	151.062775	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0305	Acetaminophen [(M+H)]+	C8H10NO2	151.062775	C18rt(min)=4.86 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0306	Acetaminophen glucuronide [(M+H)-(C6H8O6)]+	C8H10NO2	151.062775	C18rt(min)=4.12 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0307	Acetaminophen isomer [(M+H)]+	C8H10NO2	151.062775	C18rt(min)=5.7 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02709	N-(Acetyloxy)benzenamine	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C03005	N-Methylanthranilate	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C03522	N-Methyl-4-aminobenzoate	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C03523	N-Substituted amino acid	C3H3NO3R2	151.0633	NA	KEGG	NA	NA
+C04350	(E)-4-Hydroxyphenylacetaldehyde-oxime	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C04353	(Z)-4-Hydroxyphenylacetaldehyde-oxime	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C06804	Acetaminophen	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C07301	(R)-Mandelamide	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C16571	2-Amino-3-methylbenzoate	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C17755	Dopamine quinone	C8H9NO2	151.0633	NA	KEGG	NA	NA
+C17756	2-Descarboxy-cyclo-dopa	C8H9NO2	151.0633	NA	KEGG	NA	NA
+HMDB01859	Acetaminophen	C8H9NO2	151.06332	http://www.hmdb.ca/metabolites/HMDB01859	HMDB	NA	NA
+HMDB02210	2-Phenylglycine	C8H9NO2	151.06332	http://www.hmdb.ca/metabolites/HMDB02210	HMDB	NA	NA
+HMDB01859	Acetaminophen	C8H9NO2	151.06332	HMDB01859	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02210	2-Phenylglycine	C8H9NO2	151.06332	HMDB02210	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01859	Acetaminophen	C8H9NO2	151.063324	NA	HMDB2010	NA	NA
+HMDB02210	2-Phenylglycine	C8H9NO2	151.063324	NA	HMDB2010	NA	NA
+HMDB12219	Dopamine quinone	C8H9NO2	151.063324	NA	HMDB2010	NA	NA
+MJ002457	4-Hydroxyphenylacetaldoxime 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002458	(4-Hydroxyphenyl)acetaldehyde; Oxime 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002459	1-Nitro-2-phenylethane 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002460	2'-Amino-3'-hydroxyacetophenone 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002461	2'-Amino-5'-hydroxyacetophenone 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002462	2-(Methylamino)benzoic acid 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002463	2-Aminobenzoic acid; Me ester 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002464	2-Aminophenol; N-Ac 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002465	2-Hydroxy-3-methylbenzoic acid; Amide 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002466	3-Aminophenol; N-Ac 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002467	3-Pyridinecarboxylic acid; Et ester 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002468	4-Aminophenol; N-Ac 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002469	Coclauril 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002470	Danaidal; 7R-Hydroxy 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MJ002471	Loroquine 	C8H9NO2	151.063328	NA	MeJP	NA	NA
+MetaCyc01009	R-mandelamide []	C8H9N1O2	151.063329	NA	metacyc	NA	NA
+MetaCyc01010	acetaminophen [tylenol;paracetamol;datril;]	C8H9N1O2	151.063329	NA	metacyc	NA	NA
+MetaCyc01011	(Z)-4-hydroxyphenylacetaldehyde oxime [(Z)-p-hydroxyphenylacetaldehyde oxime;]	C8H9N1O2	151.063329	NA	metacyc	NA	NA
+MetaCyc01012	N-Methylanthranilate [N-Methylanthranilic acid;2-(Methylamino)benzoic acid;]	C8H9N1O2	151.063329	119-68-6	metacyc	NA	NA
+MetaCyc01013	(Z)-4-hydroxyphenylacetaldehyde oxime [(E)-[p-hydroxyphenylacetaldehyde oxime];4-hydroxyphenylacetaldehyde oxime;p-hydroxyphenylacetaldehyde oxime;p-hydroxyphenylacetaldoxime;]	C8H9N1O2	151.063329	NA	metacyc	NA	NA
+MetaCyc01014	(E)-4-hydroxyphenylacetaldehyde oxime [(E)-4-hydroxyphenylacetaldoxime;(E)-p-hydroxyphenylacetaldehyde oxime;]	C8H9N1O2	151.063329	NA	metacyc	NA	NA
+CJneg0142	Acetaminophen [(M-H)]-	C8H8NO2	151.063925	C18rt(min)=4.86 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0142	Acetaminophen [(M-H)]-	C8H8NO2	151.063925	C18rt(min)=4.86 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002472	1-Phenylsemicarbazide 	C7H9N3O	151.074561	NA	MeJP	NA	NA
+C05026	N3-Metyladenine	C6H9N5	151.0858	NA	KEGG	NA	NA
+7586	ACE inhibitor	KR	151.0975	MH2+	Inhouse_peptide	NA	peptide
+C02343	(+)-Norephedrine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C02442	N-Methyltyramine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C02444	N6-Acyl-L-lysine	C7H13N2O3R	151.0997	NA	KEGG	NA	NA
+C03711	N-Methylphenylethanolamine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C07911	Phenylpropanolamine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C08300	D-Cathine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C10158	Mearsine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C11776	alpha-Methyl-m-tyramine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C16719	(-)-Norephedrine	C9H13NO	151.0997	NA	KEGG	NA	NA
+C16720	Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine	C13H19N5O4R2	151.0997	NA	KEGG	NA	NA
+MJ002473	N-Methyltyramine 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002474	2,4,6,6-Tetramethyl-3(6H)-pyridinone 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002475	2-(4-Methoxyphenyl)ethylamine 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002476	2-Amino-1-phenyl-1-propanol 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002477	3-(2-Aminopropyl)phenol 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002478	4-(2-Aminoethyl)phenol; N-Me 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002479	4-(2-Aminopropyl)phenol 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002480	Halostachine 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MJ002481	Pulchellalactam 	C9H13NO	151.099714	NA	MeJP	NA	NA
+MetaCyc01015	N-methylphenylethanolamine []	C9H13N1O1	151.099714	68579-60-2	metacyc	NA	NA
+MetaCyc01016	N-methyltyramine []	C9H13N1O1	151.099714	370-98-9	metacyc	NA	NA
+HMDB01387	N-Methylphenylethanolamine	C9H13NO	151.099716	NA	HMDB2010	NA	NA
+HMDB01942	Phenylpropanolamine	C9H13NO	151.099716	NA	HMDB2010	NA	NA
+HMDB03633	N-Methyltyramine	C9H13NO	151.099716	NA	HMDB2010	NA	NA
+HMDB01942	Phenylpropanolamine	C9H13NO	151.09972	http://www.hmdb.ca/metabolites/HMDB01942	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01387	N-Methylphenylethanolamine	C9H13NO	151.09972	http://www.hmdb.ca/metabolites/HMDB01387	HMDB	NA	NA
+HMDB01942	Phenylpropanolamine	C9H13NO	151.09972	http://www.hmdb.ca/metabolites/HMDB01942	HMDB	NA	NA
+HMDB03633	N-Methyltyramine	C9H13NO	151.09972	http://www.hmdb.ca/metabolites/HMDB03633	HMDB	NA	NA
+HMDB01942	Phenylpropanolamine	C9H13NO	151.09972	http://www.hmdb.ca/metabolites/HMDB01942	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01387	N-Methylphenylethanolamine	C9H13NO	151.09972	HMDB01387	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01942	Phenylpropanolamine	C9H13NO	151.09972	HMDB01942	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03633	N-Methyltyramine	C9H13NO	151.09972	HMDB03633	PFEM_hmdb_metabocards_official	NA	NA
+MJ002482	4-(4-Methyl-3-pyrrolidinyl)-1H-imidazole 	C8H13N3	151.110947	NA	MeJP	NA	NA
+MJ002483	1-Aminoadamantane 	C10H17N	151.136099	NA	MeJP	NA	NA
+MJ002484	2,3,4,5-Tetrahydro-6-(4-pentenyl)pyridine 	C10H17N	151.136099	NA	MeJP	NA	NA
+MJ002485	4-Hydroxy-2-(1,3-pentadienyl)piperidine, 4-Deoxy 	C10H17N	151.136099	NA	MeJP	NA	NA
+C06818	Amantadine	C10H17N	151.1361	NA	KEGG	NA	NA
+CJpos0308	Trimethylamine oxide [(2M+H)]+ (13C)	C513CH19N2O2	151.139675	C18rt(min)=0.89 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0308	Trimethylamine oxide [(2M+H)]+ (13C)	C513CH19N2O2	151.139675	C18rt(min)=0.89 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+17	Actomyosin	VW	151.5735	MH2+	Inhouse_peptide	NA	peptide
+3486	ACE inhibitor from sake lees	VW	151.5735	MH2+	Inhouse_peptide	NA	peptide
+MJ002486	Chromium(III) oxide (Cr2O3) 	Cr2O3	151.865767	NA	MeJP	NA	NA
+C07561	Carbon tetrachloride	CCl4	151.8754	NA	KEGG	NA	NA
+C07562	Transferred to D00558	CCl4	151.8754	NA	KEGG	NA	NA
+C07563	Transferred to D00559	CCl4	151.8754	NA	KEGG	NA	NA
+MJ002487	Carbon tetrachloride 	CCl4	151.87541	NA	MeJP	NA	NA
+MetaCyc01017	carbon tetrachloride [carbon tet;CT;methane tetrachloride;perchorormethane;carbon chloride;tetrachorocarbon;carbona;tetrachloromethane;CCl4;]	C1CL4	151.875411	56-23-5	metacyc	NA	NA
+MJ002488	Iron(II) sulfate (FeSO4) 	FeO4S	151.886671	NA	MeJP	NA	NA
+MJ002489	Potassium peroxymonosulfate 	HKO5S	151.918175	NA	MeJP	NA	NA
+C05527	3-Sulfinylpyruvate	C3H4O5S	151.9779	NA	KEGG	NA	NA
+HMDB02332	b-Sulfinyl pyruvate	C3H4O5S	151.97794	http://www.hmdb.ca/metabolites/HMDB02332	HMDB	NA	NA
+HMDB02332	b-Sulfinyl pyruvate	C3H4O5S	151.97794	HMDB02332	PFEM_hmdb_metabocards_official	NA	NA
+MJ002490	3-Sulfinylpyruvate 	C3H4O5S	151.977943	NA	MeJP	NA	NA
+MetaCyc01018	3-sulfinyl-pyruvate [3-sulphinyl-pyruvate;&beta;-sulfinylpyruvate;]	C3H4O5S1	151.977944	NA	metacyc	NA	NA
+HMDB02332	B-Sulfinyl pyruvate	C3H4O5S	151.977951	NA	HMDB2010	NA	NA
+MJ002491	3,5-Dimethyl-1,2,4-trithiolane 	C4H8S3	151.978812	NA	MeJP	NA	NA
+MJ002492	Methyl 2-propenyl trisulfide 	C4H8S3	151.978812	NA	MeJP	NA	NA
+C06368	3-(Hydrohydroxyphosphoryl)pyruvate	C3H5O5P	151.9875	NA	KEGG	NA	NA
+MJ002493	3-Mercapto-2-(mercaptomethyl)propanoic acid 	C4H8O2S2	151.99657	NA	MeJP	NA	NA
+MetaCyc01019	oxidized dithiothreitol []	C4H8O2S2	151.996571	51621-02-4	metacyc	NA	NA
+MetaCyc01020	4,5-cis-dihydroxy-1,2-dithiacyclohexane []	C4H8O2S2	151.996571	NA	metacyc	NA	NA
+C01119	Oxidized dithiothreitol	C4H8O2S2	151.9966	NA	KEGG	NA	NA
+C04371	3-Mercapto-2-mercaptomethylpropanoate	C4H8O2S2	151.9966	NA	KEGG	NA	NA
+C04372	3-O-L-Alanyl-1-O-phosphatidylglycerol	C11H18NO11PR2	151.9966	NA	KEGG	NA	NA
+C06484	4,5-cis-Dihydroxy-1,2-dithiacyclohexane	C4H8O2S2	151.9966	NA	KEGG	NA	NA
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	152.00175	http://www.hmdb.ca/metabolites/HMDB00996	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	152.00175	http://www.hmdb.ca/metabolites/HMDB00996	HMDB	NA	NA
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	152.00175	http://www.hmdb.ca/metabolites/HMDB00996	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	152.00175	HMDB00996	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	152.001755	NA	HMDB2010	NA	NA
+HMDB00996	3-Sulfinoalanine	C3H6NO4S	152.00176	Short chain acyl carnitines  ;SYN:Tiglyl-l-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+JH186	Naringenin (C7H4O4)	NA	152.01097	17.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH186	Naringenin (C7H4O4)	NA	152.01097	17.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH186	Naringenin (C7H4O4)	NA	152.01097	17.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH186	Naringenin (C7H4O4)	NA	152.01097	17.87	Inhousejuil11	NA	NA
+MJ002494	1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-thione 	C5H4N4S	152.015666	NA	MeJP	NA	NA
+MJ002495	6-Purinethiol 	C5H4N4S	152.015666	NA	MeJP	NA	NA
+C01756	Thiopurine	C5H4N4S	152.0157	NA	KEGG	NA	NA
+C02380	6-Mercaptopurine	C5H4N4S	152.0157	NA	KEGG	NA	NA
+PFEM089F1	Xanthine	F1	152.0196	NA	Inhouse_original	NA	NA
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR317	Xanthine F1	NA	152.029575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR317	Xanthine F1	NA	152.029575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR317	Xanthine F1	NA	152.029575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR317	Xanthine F1	NA	152.029575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR317	Xanthine F1	C5H4N4O2	152.029575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0309	Xanthosine [(M+H)-(C5H8O4)]+	C5H5N4O2	152.032875	C18rt(min)=4.27 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0310	Xanthine [(M+H)]+	C5H5N4O2	152.032875	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0311	Xanthine [(M+H)]+	C5H5N4O2	152.032875	C18rt(min)=1.84 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0309	Xanthosine [(M+H)-(C5H8O4)]+	C5H5N4O2	152.032875	C18rt(min)=4.27 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0310	Xanthine [(M+H)]+	C5H5N4O2	152.032875	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0311	Xanthine [(M+H)]+	C5H5N4O2	152.032875	C18rt(min)=1.84 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR068	Xanthine	C5H4N4O2	152.0334	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR068	Xanthine	C5H4N4O2	152.0334	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR068	Xanthine	C5H4N4O2	152.0334	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR068	Xanthine	C5H4N4O2	152.0334	Wishlist	Inhousejuil11	NA	NA
+C00385	Xanthine	C5H4N4O2	152.0334	NA	KEGG	NA	NA
+C07599	Alloxanthine	C5H4N4O2	152.0334	NA	KEGG	NA	NA
+MJ002496	1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione 	C5H4N4O2	152.033425	NA	MeJP	NA	NA
+MJ002497	Xanthine 	C5H4N4O2	152.033425	NA	MeJP	NA	NA
+MetaCyc01021	xanthine [2,6-dioxopurine;]	C5H4N4O2	152.033425	69-89-6	metacyc	NA	NA
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	HMDB	NA	NA
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	Inhouse_PFEM	NA	NA
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR068	Xanthine	C5H4N4O2	152.033426	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00786	Oxypurinol	C5H4N4O2	152.03343	http://www.hmdb.ca/metabolites/HMDB00786	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00786	Oxypurinol	C5H4N4O2	152.03343	http://www.hmdb.ca/metabolites/HMDB00786	HMDB	NA	NA
+HMDB01182	6,8-Dihydroxypurine	C5H4N4O2	152.03343	http://www.hmdb.ca/metabolites/HMDB01182	HMDB	NA	NA
+HMDB00786	Oxypurinol	C5H4N4O2	152.03343	http://www.hmdb.ca/metabolites/HMDB00786	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00786	Oxypurinol	C5H4N4O2	152.03343	HMDB00786	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01182	6,8-Dihydroxypurine	C5H4N4O2	152.03343	HMDB01182	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00292	Xanthine	C5H4N4O2	152.033432	NA	HMDB2010	NA	NA
+HMDB00786	Oxypurinol	C5H4N4O2	152.033432	NA	HMDB2010	NA	NA
+HMDB01182	6,8-Dihydroxypurine	C5H4N4O2	152.033432	NA	HMDB2010	NA	NA
+MetaCyc01022	phenylthiourea []	C7H8N2S1	152.040819	NA	metacyc	NA	NA
+JH046	Hydroxyphenylacetic acid (p-) [M+H]+	C8H8O3	152.0434	10.79	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH046	Hydroxyphenylacetic acid (p-) [M+H]+	C8H8O3	152.0434	10.79	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH046	Hydroxyphenylacetic acid (p-) [M+H]+	C8H8O3	152.0434	10.79	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH046	Hydroxyphenylacetic acid (p-) [M+H]+	C8H8O3	152.0434	10.79	Inhousejuil11	NA	NA
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	HMDB	NA	NA
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	Inhouse_PFEM	NA	NA
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	Inhousejuil11	NA	NA
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER028	4-hydroxyphenylacetic	trouve pas m/z 217	152.043748	NA	PFEM_hmdb_metabocards_official	NA	NA
+MJ002498	Bis(2-aminoethyl) disulfide 	C4H12N2S2	152.044189	NA	MeJP	NA	NA
+MJ002499	5-Amino-1,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one 	C4H4N6O	152.044658	NA	MeJP	NA	NA
+HMDB01067	N-Acetylaspartylglutamic acid	C11H16N2O8	152.045334	MH2+	Inhouse_peptide	NA	peptide
+C00642	4-Hydroxyphenylacetate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C00755	4-Hydroxy-3-methoxy-benzaldehyde	C8H8O3	152.0473	NA	KEGG	NA	NA
+C01983	(R)-Mandelate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C01984	(S)-Mandelate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C01985	11-Oxosteroid	C8H8O3	152.0473	NA	KEGG	NA	NA
+C02181	Phenoxyacetate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C02519	4-Methoxybenzoate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C02520	5'-Ribonucleotide	C5H10O7PR	152.0473	NA	KEGG	NA	NA
+C02521	5S-rRNA precursor	C10H17O10PR2	152.0473	NA	KEGG	NA	NA
+C02639	3-Methoxytropolone	C8H8O3	152.0473	NA	KEGG	NA	NA
+C02657	6-Methylsalicylate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C02658	Aldoxime	CH2NOR	152.0473	NA	KEGG	NA	NA
+C03663	2',4'-Dihydroxyacetophenone	C8H8O3	152.0473	NA	KEGG	NA	NA
+C04043	3,4-Dihydroxyphenylacetaldehyde	C8H8O3	152.0473	NA	KEGG	NA	NA
+C05593	3-Hydroxyphenylacetate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C05852	2-Hydroxyphenylacetate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C10675	3',4'-Dihydroxyacetophenone	C8H8O3	152.0473	NA	KEGG	NA	NA
+C10804	2-(Hydroxymethyl)benzoic acid	C8H8O3	152.0473	NA	KEGG	NA	NA
+C12064	Resorcinol monoacetate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C12305	Methyl salicylate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C13635	4-Hydroxyphenacyl alcohol	C8H8O3	152.0473	NA	KEGG	NA	NA
+C13636	4-Hydroxyphenyl acetate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C14088	3-Methylsalicylate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C14103	4-Methylsalicylate	C8H8O3	152.0473	NA	KEGG	NA	NA
+C14108	4-Hydroxymethylsalicylaldehyde	C8H8O3	152.0473	NA	KEGG	NA	NA
+C17900	Menisdaurilide	C8H8O3	152.0473	NA	KEGG	NA	NA
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00020	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00440	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04815	4-Hydroxy-3-methylbenzoic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB04815	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00020	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00440	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00020	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00440	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04815	4-Hydroxy-3-methylbenzoic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB04815	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00020	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00440	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04815	4-Hydroxy-3-methylbenzoic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB04815	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00020	HMDB	NA	NA
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00440	HMDB	NA	NA
+HMDB00669	ortho-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00669	HMDB	NA	NA
+HMDB00703	Mandelic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00703	HMDB	NA	NA
+HMDB01101	p-Anisic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB01101	HMDB	NA	NA
+HMDB02390	3-Cresotinic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB02390	HMDB	NA	NA
+HMDB03791	3,4-Dihydroxyphenylacetaldehyde	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB03791	HMDB	NA	NA
+HMDB04815	4-Hydroxy-3-methylbenzoic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB04815	HMDB	NA	NA
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00020	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	http://www.hmdb.ca/metabolites/HMDB00440	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.04733	HMDB00020	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.04733	HMDB00440	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00669	ortho-Hydroxyphenylacetic acid	C8H8O3	152.04733	HMDB00669	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00703	Mandelic acid	C8H8O3	152.04733	HMDB00703	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01101	p-Anisic acid	C8H8O3	152.04733	HMDB01101	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02390	3-Cresotinic acid	C8H8O3	152.04733	HMDB02390	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03791	3,4-Dihydroxyphenylacetaldehyde	C8H8O3	152.04733	HMDB03791	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04815	4-Hydroxy-3-methylbenzoic acid	C8H8O3	152.04733	HMDB04815	PFEM_hmdb_metabocards_official	NA	NA
+MJ002500	3,4-Dihydroxyphenylacetaldehyde 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002501	(R)-Mandelate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002502	(S)-Mandelate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002503	2-Hydroxyphenylacetate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002504	3-Hydroxyphenylacetate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002505	4-Hydroxy-3-methoxy-benzaldehyde 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002506	4-Hydroxyphenylacetate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002507	4-Methoxybenzoate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002508	1,3-Benzenediol; Mono-Ac 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002509	1,4-Benzenediol; Mono-Ac 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002510	1-(2-Furanyl)-1,2-butanedione 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002511	1-(5-Methyl-2-furanyl)-1,2-propanedione 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002512	2',4'-Dihydroxyacetophenone 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002513	2',5'-Dihydroxyacetophenone 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002514	2',6'-Dihydroxyacetophenone 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002515	2,3-Dihydroxybenzaldehyde; 3-Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002516	2,4-Dihydroxybenzaldehyde; 4-Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002517	2,5-Dihydroxybenzaldehyde; 2-Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002518	2,6-Dihydroxy-4-methylbenzaldehyde 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002519	2-Hydroxy-3-methoxy-2,4,6-cycloheptatrien-1-one 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002520	2-Hydroxy-3-methyl-1,4-benzoquinone; Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002521	2-Hydroxy-3-methylbenzoic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002522	2-Hydroxy-5-methyl-1,4-benzoquinone; Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002523	2-Hydroxy-6-methyl-1,4-benzoquinone; Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002524	2-Hydroxy-6-methylbenzoic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002525	2-Hydroxyphenylacetic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002526	2-Methoxybenzoic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002527	2-Oxepincarboxylic acid; Me ester 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002528	3',4'-Dihydroxyacetophenone 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002529	3,4-Dihydroxybenzaldehyde; 3-Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002530	3,4-Dihydroxyphenylacetaldehyde 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002531	3,5-Dihydroxybenzaldehyde; Mono Me ether 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002532	3-Methoxybenzoic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002533	4-Hydroxybenzoic acid; Me ester 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002534	4-Hydroxyphenylacetic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002535	4-Methoxybenzoic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002536	6-Acetyl-3-methyl-2H-pyran-2-one 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002537	Aquilegiolide 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002538	Ilexlactone 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002539	Mandelic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002540	Methyl 2-hydroxybenzoate 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MJ002541	Phenoxyacetic acid 	C8H8O3	152.047344	NA	MeJP	NA	NA
+MetaCyc01023	vanillin [4-hydroxy-3-methoxybenzaldehyde;]	C8H8O3	152.047344	121-33-5	metacyc	NA	NA
+MetaCyc01024	methylsalicylate []	C8H8O3	152.047344	NA	metacyc	NA	NA
+MetaCyc01025	6-methylsalicylate [Methylsalicylic acid;6-Methyl 2-hydroxybenzenecarboxylate;]	C8H8O3	152.047344	NA	metacyc	NA	NA
+MetaCyc01026	2',4'-dihydroxyacetophenone [Resacetophenone;]	C8H8O3	152.047344	89-84-9	metacyc	NA	NA
+MetaCyc01027	(S)-mandelate [(S)-2-hydroxy-2-phenylacetic acid;(S)-2-hydroxy-2-phenylacetate;(S)-mandelic acid;]	C8H8O3	152.047344	90-64-2	metacyc	NA	NA
+MetaCyc01028	(R)-mandelate [(R)-2-hydroxy-2-phenylacetic acid;(R)-2-hydroxy-2-phenylacetate;(R)-mandelic acid;]	C8H8O3	152.047344	NA	metacyc	NA	NA
+MetaCyc01029	4-methoxybenzoate [4-Methoxybenzoic acid;4-Anisic acid;]	C8H8O3	152.047344	NA	metacyc	NA	NA
+MetaCyc01030	4-hydroxyphenylacetate [4-HPA;p-hydroxyphenylacetic acid;benzeneacetic acid, 4-hydroxy-;DL-para-hydroxyphenylacetic acid;4-hydroxyphenylacetic acid;4-hydroxyphenyl acetate;]	C8H8O3	152.047344	156-38-7	metacyc	NA	NA
+MetaCyc01031	4-carboxybenzyl alcohol []	C8H8O3	152.047344	NA	metacyc	NA	NA
+MetaCyc01032	3,4-dihydroxyphenylacetaldehyde [protocatechuatealdehyde;]	C8H8O3	152.047344	NA	metacyc	NA	NA
+MetaCyc01033	3-hydroxyphenylacetate [m-hydroxyphenylacetic acid;3-hydroxyphenylacetic acid;m-hydroxyphenylacetate;]	C8H8O3	152.047344	102-29-4	metacyc	NA	NA
+HMDB00020	p-Hydroxyphenylacetic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB00440	3-Hydroxyphenylacetic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB00669	Ortho-Hydroxyphenylacetic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB00703	Mandelic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB01101	p-Anisic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB02390	3-Cresotinic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB03791	3,4-Dihydroxyphenylacetaldehyde	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB04815	4-Hydroxy-3-methylbenzoic acid	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+HMDB12308	Vanillin	C8H8O3	152.047348	NA	HMDB2010	NA	NA
+CJneg0143	4-hydroxyphenylacetic acid [(M-H)]-	C8H7O3	152.047925	C18rt(min)=5.81 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0144	3-Hydroxyphenylacetic acid [(M-H)]-	C8H7O3	152.047925	C18rt(min)=6.06 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0145	p-Anisic acid [(M-H)]-	C8H7O3	152.047925	C18rt(min)=7.24 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0146	2-Hydroxyphenylacetic acid  [(M-H)]-	C8H7O3	152.047925	C18rt(min)=6.24 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0143	4-hydroxyphenylacetic acid [(M-H)]-	C8H7O3	152.047925	C18rt(min)=5.81 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0144	3-Hydroxyphenylacetic acid [(M-H)]-	C8H7O3	152.047925	C18rt(min)=6.06 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0145	p-Anisic acid [(M-H)]-	C8H7O3	152.047925	C18rt(min)=7.24 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0146	2-Hydroxyphenylacetic acid  [(M-H)]-	C8H7O3	152.047925	C18rt(min)=6.24 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0147	Pentose [(M-H)]- (18O)	C5H9O418O	152.057625	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0147	Pentose [(M-H)]- (18O)	C5H9O418O	152.057625	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002542	N1-Methyl-2-pyridone-5-carboxamide 	C7H8N2O2	152.058577	NA	MeJP	NA	NA
+MJ002543	N1-Methyl-4-pyridone-5-carboxamide 	C7H8N2O2	152.058577	NA	MeJP	NA	NA
+MJ002544	2,4-Diaminobenzoic acid 	C7H8N2O2	152.058577	NA	MeJP	NA	NA
+MJ002545	4-Hydrazinobenzoic acid 	C7H8N2O2	152.058577	NA	MeJP	NA	NA
+HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.058578	NA	HMDB2010	NA	NA
+HMDB04194	N1-Methyl-4-pyridone-3-carboxamide	C7H8N2O2	152.058578	NA	HMDB2010	NA	NA
+HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.05858	http://www.hmdb.ca/metabolites/HMDB04193	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.05858	http://www.hmdb.ca/metabolites/HMDB04193	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.05858	http://www.hmdb.ca/metabolites/HMDB04193	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.05858	http://www.hmdb.ca/metabolites/HMDB04193	HMDB	NA	NA
+HMDB04194	N1-Methyl-4-pyridone-3-carboxamide	C7H8N2O2	152.05858	http://www.hmdb.ca/metabolites/HMDB04194	HMDB	NA	NA
+HMDB04193	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.05858	HMDB04193	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04194	N1-Methyl-4-pyridone-3-carboxamide	C7H8N2O2	152.05858	HMDB04194	PFEM_hmdb_metabocards_official	NA	NA
+C05842	N1-Methyl-2-pyridone-5-carboxamide	C7H8N2O2	152.0586	NA	KEGG	NA	NA
+C05843	N1-Methyl-4-pyridone-5-carboxamide	C7H8N2O2	152.0586	NA	KEGG	NA	NA
+C16398	2-Amino-4-nitrotoluene	C7H8N2O2	152.0586	NA	KEGG	NA	NA
+CJpos0312	Acetaminophen [(M+H)]+ (13C)	C713CH10NO2	152.066175	C18rt(min)=4.86 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0313	Acetaminophen glucuronide [(M+H)-(C6H8O6)]+ (13C)	C713CH10NO2	152.066175	C18rt(min)=4.12 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0314	Acetaminophen isomer [(M+H)]+ (13C)	C713CH10NO2	152.066175	C18rt(min)=5.7 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0312	Acetaminophen [(M+H)]+ (13C)	C713CH10NO2	152.066175	C18rt(min)=4.86 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0313	Acetaminophen glucuronide [(M+H)-(C6H8O6)]+ (13C)	C713CH10NO2	152.066175	C18rt(min)=4.12 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0314	Acetaminophen isomer [(M+H)]+ (13C)	C713CH10NO2	152.066175	C18rt(min)=5.7 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0315	Arabitol (and isomers) [(M+H)]+	C5H13O5	152.067975	C18rt(min)=4.17 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0315	Arabitol (and isomers) [(M+H)]+	C5H13O5	152.067975	C18rt(min)=4.17 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00508	Ribitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00508	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00568	D-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00568	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02917	D-Xylitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB02917	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00508	Ribitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00508	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00568	D-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00568	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01851	L-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB01851	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02917	D-Xylitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB02917	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00508	Ribitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00508	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00568	D-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00568	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02917	D-Xylitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB02917	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00508	Ribitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00508	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00568	D-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00568	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02917	D-Xylitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB02917	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00508	Ribitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00508	HMDB	NA	NA
+HMDB00568	D-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00568	HMDB	NA	NA
+HMDB01851	L-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB01851	HMDB	NA	NA
+HMDB02917	D-Xylitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB02917	HMDB	NA	NA
+HMDB00508	Ribitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00508	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00568	D-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB00568	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01851	L-Arabitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB01851	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02917	D-Xylitol	C5H12O5	152.06847	http://www.hmdb.ca/metabolites/HMDB02917	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00508	Ribitol	C5H12O5	152.06847	HMDB00508	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00568	D-Arabitol	C5H12O5	152.06847	HMDB00568	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01851	L-Arabitol	C5H12O5	152.06847	HMDB01851	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02917	D-Xylitol	C5H12O5	152.06847	HMDB02917	PFEM_hmdb_metabocards_official	NA	NA
+MJ002546	2-(Hydroxymethyl)-1,2,3,4-butanetetrol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002547	Arabinitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002548	Ribitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002549	Xylitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002550	D-Arabitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002551	L-Arabitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002552	Ribitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MJ002553	Xylitol 	C5H12O5	152.068473	NA	MeJP	NA	NA
+MetaCyc01034	xylitol []	C5H12O5	152.068473	87-99-0	metacyc	NA	NA
+MetaCyc01035	L-arabitol [arabitol;arabinitol;1,2,3,4,5-pentanepentol;L-arabinol;L-arabinitol;L-lyxitol;]	C5H12O5	152.068473	7643-75-6	metacyc	NA	NA
+MetaCyc01036	D-arabitol [D-arabinitol;D-arabinol;D-lyxitol;]	C5H12O5	152.068473	488-82-4	metacyc	NA	NA
+MetaCyc01037	ribitol [meso-ribitol;adonitol;]	C5H12O5	152.068473	488-81-3	metacyc	NA	NA
+HMDB00508	Ribitol	C5H12O5	152.068481	NA	HMDB2010	NA	NA
+HMDB00568	D-Arabitol	C5H12O5	152.068481	NA	HMDB2010	NA	NA
+HMDB01851	L-Arabitol	C5H12O5	152.068481	NA	HMDB2010	NA	NA
+HMDB02917	D-Xylitol	C5H12O5	152.068481	NA	HMDB2010	NA	NA
+C00379	Xylitol	C5H12O5	152.0685	NA	KEGG	NA	NA
+C00474	Ribitol	C5H12O5	152.0685	NA	KEGG	NA	NA
+C00532	L-Arabitol	C5H12O5	152.0685	NA	KEGG	NA	NA
+C01569	D-Apiitol	C5H12O5	152.0685	NA	KEGG	NA	NA
+C01904	D-Arabitol	C5H12O5	152.0685	NA	KEGG	NA	NA
+CJneg0148	Gluconic acid (and isomers) [(M-H)-(CO2)]-	C5H11O5	152.069025	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0148	Gluconic acid (and isomers) [(M-H)-(CO2)]-	C5H11O5	152.069025	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C01014	3-Isopropylcatechol	C9H12O2	152.0837	NA	KEGG	NA	NA
+MJ002554	1-Phenyl-1,2-propanediol 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002555	2,4,5-Trimethyl-1,3-benzenediol 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002556	2-Formyl-3-methyl-2-cyclopentene-1-acetaldehyde 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002557	2-Hydroxy-4,4,6-trimethyl-2,5-cyclohexadien-1-one 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002558	3-(4-Hydroxyphenyl)-1-propanol 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002559	4,5,6-Trimethyl-1,3-benzenediol 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002560	4-Ethyl-1,2-benzenediol; 1-Me ether 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002561	4-Ethyl-1,2-benzenediol; 2-Me ether 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002562	5-(2-Pentenyl)-2(5H)-furanone 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002563	5-Methyl-1,3-benzenediol; Di-Me ether 	C9H12O2	152.083729	NA	MeJP	NA	NA
+MJ002564	2-Isopropyl-3-methoxypyrazine 	C8H12N2O	152.094963	NA	MeJP	NA	NA
+C00808	(+)-Camphor	C10H16O	152.1201	NA	KEGG	NA	NA
+C00809	(-)-Camphor	C10H16O	152.1201	NA	KEGG	NA	NA
+C00964	(-)-trans-Carveol	C10H16O	152.1201	NA	KEGG	NA	NA
+C00965	1,3-beta-D-Glucan	C10H16O	152.1201	NA	KEGG	NA	NA
+C01123	(-)-trans-Isopiperitenol	C10H16O	152.1201	NA	KEGG	NA	NA
+C01499	Geranial	C10H16O	152.1201	NA	KEGG	NA	NA
+C02213	(+)-cis-Sabinol	C10H16O	152.1201	NA	KEGG	NA	NA
+C02452	Perillyl alcohol	C10H16O	152.1201	NA	KEGG	NA	NA
+C02759	alpha-Pinene-oxide	C10H16O	152.1201	NA	KEGG	NA	NA
+C02761	beta-L-Arabinoside	C5H9O5R	152.1201	NA	KEGG	NA	NA
+C02762	beta-Limit dextrin	C5H9O5R	152.1201	NA	KEGG	NA	NA
+C04435	(Z)-2-Methyl-5-isopropylhexa-2,5-dienal	C10H16O	152.1201	NA	KEGG	NA	NA
+C07271	Limonene-1,2-epoxide	C10H16O	152.1201	NA	KEGG	NA	NA
+C09847	cis-Citral	C10H16O	152.1201	NA	KEGG	NA	NA
+C09859	Fenchone	C10H16O	152.1201	NA	KEGG	NA	NA
+C09885	(+)-Piperitone	C10H16O	152.1201	NA	KEGG	NA	NA
+C09893	Pulegone	C10H16O	152.1201	NA	KEGG	NA	NA
+C09906	Thujone	C10H16O	152.1201	NA	KEGG	NA	NA
+C11387	(1S,4R)-(-)-Fenchone	C10H16O	152.1201	NA	KEGG	NA	NA
+C11395	(4R,6R)-cis-Carveol	C10H16O	152.1201	NA	KEGG	NA	NA
+C11398	(1R,4R)-Dihydrocarvone	C10H16O	152.1201	NA	KEGG	NA	NA
+C11401	(1S,4R)-Iso-dihydrocarvone	C10H16O	152.1201	NA	KEGG	NA	NA
+C11408	(4S,6S)-cis-Carveol	C10H16O	152.1201	NA	KEGG	NA	NA
+C11409	(+)-trans-Carveol	C10H16O	152.1201	NA	KEGG	NA	NA
+C11412	(1R,4S)-Iso-dihydrocarvone	C10H16O	152.1201	NA	KEGG	NA	NA
+C11415	(1S,4S)-Dihydrocarvone	C10H16O	152.1201	NA	KEGG	NA	NA
+C11938	Myrtenol	C10H16O	152.1201	NA	KEGG	NA	NA
+C11941	Pinocarveol	C10H16O	152.1201	NA	KEGG	NA	NA
+C11942	trans-2-Methyl-5-isopropylhexa-2,5-dienal	C10H16O	152.1201	NA	KEGG	NA	NA
+C11951	(+)-cis-Isopulegone	C10H16O	152.1201	NA	KEGG	NA	NA
+C17623	(-)-Pulegone	C10H16O	152.1201	NA	KEGG	NA	NA
+C18018	p-Menth-8-en-2-one	C10H16O	152.1201	NA	KEGG	NA	NA
+MJ002565	1,2-Epoxy-2,5-dimethyl-3-vinyl-4-hexene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002566	1,2-Epoxy-p-menth-8-ene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002567	1,8-Epoxy-p-menthane; 2,3-Didehydro 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002568	2(10)-Pinen-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002569	2,2,5-Trimethyl-4-cyclohepten-1-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002570	2,3-Epoxy-2-methyl-6-methylene-7-octene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002571	2,3-Epoxypinane 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002572	2,4,4-Trimethyl-1-cyclohexene-1-carboxaldehyde 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002573	2,4-Decadienal 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002574	2,5,6,6-Tetramethyl-2-cyclohexen-1-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002575	2,5-Dihydro-3-methyl-2-(3-methyl-2-butenyl)furan 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002576	2,5-Dihydro-3-methyl-2-(3-methyl-3-butenyl)furan 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002577	2,5-Dihydro-4-methyl-2-(3-methyl-2-butenyl)furan 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002578	2,5-Dimethyl-4-vinyl-1,5-hexadien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002579	2,6-Dimethyl-1,7-octadien-3-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002580	2,6-Dimethyl-5,7-octadien-4-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002581	2-Methyl-6-methylene-1,7-octadien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002582	2-Methyl-6-methylene-2,7-octadien-1-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002583	2-Methyl-6-methylene-2,7-octadien-4-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002584	2-Methyl-6-methylene-3,7-octadien-2-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002585	2-Methyl-6-methylene-7-octen-3-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002586	2-Ochtoden-1-al 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002587	2-Pinen-10-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002588	2-Pinen-4-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002589	2-Pinen-8-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002590	2-Thujen-4-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002591	3,3,4-Trimethyl-1-cyclohexene-1-carboxaldehyde 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002592	3,3,6-Trimethyl-1,5-heptadien-4-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002593	3,4-Epoxy-p-menth-1(7)-ene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002594	3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002595	3,7-Dimethyl-1,3,6-octatriene, 6R,7-Epoxide 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002596	3,7-Dimethyl-1,5,7-octatrien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002597	3,7-Dimethyl-2,6-octadienal 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002598	3,9-Epoxy-p-menth-1-ene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002599	3-Pinanone 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002600	3-Thujanone 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002601	4(10)-Thujen-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002602	4,8-Epoxy-p-menth-1-ene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002603	4-Acetyl-1,4-dimethyl-1-cyclohexene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002604	4-Isopropyl-2,3-dimethyl-2-cyclopenten-1-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002605	5,5-Dimethyl-6-methylenebicyclo[2.2.1]heptan-2-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002606	5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002607	6,8-Epoxy-p-menth-2-ene 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002608	8,8-Dimethyl-2-methylene-6-oxabicyclo[3.2.1]octane 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002609	9,10-Cyclo-p-menth-1-en-4-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002610	Artemisiole 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002611	Campholenic alcohol; Aldehyde 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002612	Camphor 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002613	Fenchone 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002614	Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta[c]furan 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002615	Homocamfin 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002616	Junionone 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002617	Lyratol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002618	Matatabiether 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002619	Pinol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002620	Teresantalol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002621	Tetrahydro-4-methyl-2-(3-methyl-1,3-butadienyl)furan 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002622	m-Mentha-1(6),8-dien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002623	p-Menth-1(7)-en-2-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002624	p-Menth-1-en-3-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002625	p-Menth-1-en-5-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002626	p-Menth-1-en-6-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002627	p-Menth-1-en-7-al 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002628	p-Menth-3-en-9-al 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002629	p-Menth-4(8)-en-3-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002630	p-Menth-8-en-2-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002631	p-Menth-8-en-3-one 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002632	p-Mentha-1(6),8-dien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002633	p-Mentha-1(7),2-dien-4-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002634	p-Mentha-1(7),5-dien-2-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002635	p-Mentha-1(7),8-dien-2-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002636	p-Mentha-1(7),8-dien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002637	p-Mentha-1,4(8)-dien-3-one; 3-Alcohol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002638	p-Mentha-1,8-dien-10-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002639	p-Mentha-1,8-dien-3-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002640	p-Mentha-1,8-dien-4-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002641	p-Mentha-1,8-dien-6-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002642	p-Mentha-1,8-dien-7-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002643	p-Mentha-2,8-dien-1-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MJ002644	p-Mentha-3,8-dien-1-ol 	C10H16O	152.120115	NA	MeJP	NA	NA
+MetaCyc01038	geranial []	C10H16O1	152.120115	5392-40-5	metacyc	NA	NA
+MetaCyc01039	(Z)-2-methyl-5-isopropylhexa-2,5-dienal [cis-2-methyl-5-isopropylhexa-2,5-dienal;]	C10H16O1	152.120115	NA	metacyc	NA	NA
+MetaCyc01040	D-camphor [2-camphanone;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;2-camphonone;camphor oil;bornan-2-one;1,7,7-trimethylnorcamphor;2-bornanone;(+)-camphor;]	C10H16O1	152.120115	464-49-3	metacyc	NA	NA
+MetaCyc01041	perillyl alcohol [(-)-perillyl alcohol;]	C10H16O1	152.120115	536-59-4	metacyc	NA	NA
+MetaCyc01042	&alpha;-pinene-oxide []	C10H16O1	152.120115	1686-14-2	metacyc	NA	NA
+MetaCyc01043	(+)-cis-sabinol []	C10H16O1	152.120115	NA	metacyc	NA	NA
+MetaCyc01044	(-)-camphor []	C10H16O1	152.120115	464-48-2	metacyc	NA	NA
+MetaCyc01045	(-)-trans-Isopiperitenol []	C10H16O1	152.120115	NA	metacyc	NA	NA
+MetaCyc01046	(-)-trans-carveol []	C10H16O1	152.120115	NA	metacyc	NA	NA
+MetaCyc01047	(+)-pulegone []	C10H16O1	152.120115	NA	metacyc	NA	NA
+MetaCyc01048	(+)-cis-isopulegone []	C10H16O1	152.120115	NA	metacyc	NA	NA
+HMDB03450	(-)-trans-Carveol	C10H16O	152.120117	NA	HMDB2010	NA	NA
+HMDB03634	Perillyl alcohol	C10H16O	152.120117	NA	HMDB2010	NA	NA
+HMDB03667	Alpha-Pinene-oxide	C10H16O	152.120117	NA	HMDB2010	NA	NA
+HMDB03634	Perillyl alcohol	C10H16O	152.12012	http://www.hmdb.ca/metabolites/HMDB03634	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03450	(-)-trans-Carveol	C10H16O	152.12012	http://www.hmdb.ca/metabolites/HMDB03450	HMDB	NA	NA
+HMDB03634	Perillyl alcohol	C10H16O	152.12012	http://www.hmdb.ca/metabolites/HMDB03634	HMDB	NA	NA
+HMDB03667	alpha-Pinene-oxide	C10H16O	152.12012	http://www.hmdb.ca/metabolites/HMDB03667	HMDB	NA	NA
+HMDB03634	Perillyl alcohol	C10H16O	152.12012	http://www.hmdb.ca/metabolites/HMDB03634	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03450	(-)-trans-Carveol	C10H16O	152.12012	HMDB03450	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03634	Perillyl alcohol	C10H16O	152.12012	HMDB03634	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03667	alpha-Pinene-oxide	C10H16O	152.12012	HMDB03667	PFEM_hmdb_metabocards_official	NA	NA
+MJ002645	1,5-Undecadiene 	C11H20	152.1565	NA	MeJP	NA	NA
+3098	fragment of bovine beta casein (91-93)	GVM	152.5647	MH2+	Inhouse_peptide	NA	peptide
+MJ002646	Copper(II) formate 	C2H2CuO4	152.924909	NA	MeJP	NA	NA
+C01962	Thiocysteine	C3H7NO2S2	152.9918	NA	KEGG	NA	NA
+MJ002647	Thiocysteine 	C3H7NO2S2	152.991819	NA	MeJP	NA	NA
+HMDB03585	Thiocysteine	C3H7NO2S2	152.99182	http://www.hmdb.ca/metabolites/HMDB03585	HMDB	NA	NA
+MetaCyc01049	thiocysteine []	C3H7N1O2S2	152.99182	5652-32-4	metacyc	NA	NA
+HMDB03585	Thiocysteine	C3H7NO2S2	152.99182	HMDB03585	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03585	Thiocysteine	C3H7NO2S2	152.991821	NA	HMDB2010	NA	NA
+MJ002648	3-Sulfino-L-alanine 	C3H7NO4S	153.009578	NA	MeJP	NA	NA
+MJ002649	Cysteinesulfinic acid 	C3H7NO4S	153.009578	NA	MeJP	NA	NA
+MetaCyc01050	L-cysteine sulfinate [cysteine sulphinate;cysteine sulfinate;]	C3H7N1O4S1	153.009578	NA	metacyc	NA	NA
+MetaCyc01051	3-sulfinoalanine [3-Sulfino-L-alanine;L-Cysteinesulfinic acid;3-sulphino-L-alanine;]	C3H7N1O4S1	153.009578	1115-65-7	metacyc	NA	NA
+C00606	3-Sulfino-L-alanine	C3H7NO4S	153.0096	NA	KEGG	NA	NA
+C00607	Chondroitin sulfate	C3H7NO4S	153.0096	NA	KEGG	NA	NA
+C00608	Deoxyribonucleotide	C5H10O6PR	153.0096	NA	KEGG	NA	NA
+C00609	Long-chain aldehyde	C3H5OR	153.0096	NA	KEGG	NA	NA
+MJ002650	2-Amino-3-(hydroxyphosphinyl)propanoic acid 	C3H8NO4P	153.019094	NA	MeJP	NA	NA
+MJ002651	2-Amino-4-chloro-3-hydroxybutanoic acid 	C4H8ClNO3	153.01927	NA	MeJP	NA	NA
+C16283	Thiobenzamide S-oxide	C7H7NOS	153.0248	NA	KEGG	NA	NA
+CJneg0149	Guanidoacetic acid (and isomer) [(M+Cl)]-	C3H7ClN3O2	153.031025	C18rt(min)=0.9 Neg identified a,b,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0149	Guanidoacetic acid (and isomer) [(M+Cl)]-	C3H7ClN3O2	153.031025	C18rt(min)=0.9 Neg identified a,b,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0316	Hydroxyanthranilic acid isomer [(M+H)]+	C7H8NO3	153.042075	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0316	Hydroxyanthranilic acid isomer [(M+H)]+	C7H8NO3	153.042075	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.042587	NA	HMDB2010	NA	NA
+HMDB01972	3-Aminosalicylic acid	C7H7NO3	153.042587	NA	HMDB2010	NA	NA
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01476	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01476	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01476	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01476	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01476	HMDB	NA	NA
+HMDB01972	3-Aminosalicylic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01972	HMDB	NA	NA
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	NA  ;SYN:L-N-amidinoaspartic acid; N-(aminoiminomethyl)-L-aspartic acid; N-Amidino-L-aspartate; N-amidino-L-aspartic acid; N-carbamimidoyl-L-aspartic acid; GuanidinosuccinateH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	http://www.hmdb.ca/metabolites/HMDB01476	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01476	3-Hydroxyanthranilic acid	C7H7NO3	153.04259	HMDB01476	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01972	3-Aminosalicylic acid	C7H7NO3	153.04259	HMDB01972	PFEM_hmdb_metabocards_official	NA	NA
+MJ002652	2-Amino-3-hydroxybenzoic acid 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002653	2-Amino-5-hydroxybenzoic acid 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002654	3-Amino-5-hydroxybenzoic acid 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002655	4-Amino-2-hydroxybenzoic acid 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002656	5-Amino-2-hydroxybenzoic acid 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002657	7-Oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002658	Maleimycin 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002659	3-Hydroxy-2-methylpyridine-5-carboxylate 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MJ002660	3-Hydroxyanthranilate 	C7H7NO3	153.042593	NA	MeJP	NA	NA
+MetaCyc01052	4-hydroxylaminobenzoate []	C7H7N1O3	153.042593	NA	metacyc	NA	NA
+MetaCyc01053	4-nitrobenzyl alcohol [4NBA;]	C7H7N1O3	153.042593	619-73-8	metacyc	NA	NA
+MetaCyc01054	salicylhydroxamic acid [salicylhydroxamic acid;2-hydroxybenzohydroxamic acid;N,2-dihydroxybenzenecarboximidic acid;N,2-dihydroxybenzamide;salicylohydroxamic acid;SHAM;]	C7H7N1O3	153.042593	NA	metacyc	NA	NA
+MetaCyc01055	3-hydroxy-2-methylpyridine-5-carboxylate []	C7H7N1O3	153.042593	NA	metacyc	NA	NA
+MetaCyc01056	3-hydroxy-anthranilate [3-hydroxyanthranilate;]	C7H7N1O3	153.042593	548-93-6	metacyc	NA	NA
+C00632	3-Hydroxyanthranilate	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C01270	3-Hydroxy-2-methylpyridine-5-carboxylate	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C01271	(3R)-3-Hydroxyacyl-[acyl-carrier protein]	C3H4O2SR2	153.0426	NA	KEGG	NA	NA
+C02518	4-Aminosalicylate	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C06669	1-Carbapen-2-em-3-carboxylic acid	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C07555	4-Nitroanisole	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C11343	Salicylhydroxamic acid	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C12107	AHBA	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C12115	3-Amino-4-hydroxybenzoic acid	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C16235	o-Hydroxylaminobenzoate	C7H7NO3	153.0426	NA	KEGG	NA	NA
+C16236	Protein N6-(octanoyl)lysine	C8H16NOR	153.0426	NA	KEGG	NA	NA
+C16237	Protein N6-(lipoyl)lysine	C8H14NOS2R	153.0426	NA	KEGG	NA	NA
+CJneg0150	Hydroxyanthranilic acid isomer [(M-H)]-	C7H6NO3	153.043125	C18rt(min)=4.55 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0151	Hydroxyanthranilic acid isomer [(M-H)]-	C7H6NO3	153.043125	C18rt(min)=5.25 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0150	Hydroxyanthranilic acid isomer [(M-H)]-	C7H6NO3	153.043125	C18rt(min)=4.55 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0151	Hydroxyanthranilic acid isomer [(M-H)]-	C7H6NO3	153.043125	C18rt(min)=5.25 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002661	2-Aminoethanesulfonic acid; N,N-Di-Me 	C4H11NO3S	153.045963	NA	MeJP	NA	NA
+CJneg0152	p-Anisic acid [(M-H)]- (13C)	C713CH7O3	153.051225	C18rt(min)=7.24 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0153	3-Hydroxyphenylacetic acid [(M-H)]- (13C)	C713CH7O3	153.051225	C18rt(min)=6.06 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0154	2-Hydroxyphenylacetic acid  [(M-H)]- (13C)	C713CH7O3	153.051225	C18rt(min)=6.24 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0152	p-Anisic acid [(M-H)]- (13C)	C713CH7O3	153.051225	C18rt(min)=7.24 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0153	3-Hydroxyphenylacetic acid [(M-H)]- (13C)	C713CH7O3	153.051225	C18rt(min)=6.06 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0154	2-Hydroxyphenylacetic acid  [(M-H)]- (13C)	C713CH7O3	153.051225	C18rt(min)=6.24 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH024	Creatine [M+Na]+	NA	153.0521	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH024	Creatine [M+Na]+	NA	153.0521	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH024	Creatine [M+Na]+	NA	153.0521	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH024	Creatine [M+Na]+	NA	153.0521	1.23	Inhousejuil11	NA	NA
+CJpos0317	N4-acetylcytidine [(M+H)-(C5H8O4)]+	C6H8N3O2	153.053275	C18rt(min)=4.51 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0317	N4-acetylcytidine [(M+H)-(C5H8O4)]+	C6H8N3O2	153.053275	C18rt(min)=4.51 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0156	Methylhistidine [(M-H)-(CH4)]-	C6H6N3O2	153.054425	C18rt(min)=0.78 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0156	Methylhistidine [(M-H)-(CH4)]-	C6H6N3O2	153.054425	C18rt(min)=0.78 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002662	(2-Aminoethyl)phosphonic acid; N,N-Di-Me 	C4H12NO3P	153.055479	NA	MeJP	NA	NA
+MJ002663	N-Dimethyl-2-aminoethylphosphonate 	C4H12NO3P	153.055479	NA	MeJP	NA	NA
+C05680	N-Dimethyl-2-aminoethylphosphonate	C4H12NO3P	153.0555	NA	KEGG	NA	NA
+C05681	Ceramide 2-aminoethylphosphonate	C21H42N2O5PR	153.0555	NA	KEGG	NA	NA
+CJneg0155	Betaine [(M+Cl)]-	C5H11ClNO2	153.056225	C18rt(min)=0.86 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0155	Betaine [(M+Cl)]-	C5H11ClNO2	153.056225	C18rt(min)=0.86 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002664	6-Hydrazino-3-pyridazinecarboxamide 	C5H7N5O	153.065059	NA	MeJP	NA	NA
+HMDB04816	FAPy-adenine	C5H7N5O	153.065063	NA	HMDB2010	NA	NA
+CJpos0318	Tyrosine isomer [(M+H)-(CO)]+	C8H12NO2	153.078475	C18rt(min)=6.02 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0318	Tyrosine isomer [(M+H)-(CO)]+	C8H12NO2	153.078475	C18rt(min)=6.02 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002665	4-(2-Aminoethyl)-1,2-benzenediol 	C8H11NO2	153.078978	NA	MeJP	NA	NA
+MJ002666	3,4-Dihydro-4-propylidene-2H-pyrrole-2-carboxylic acid 	C8H11NO2	153.078978	NA	MeJP	NA	NA
+MJ002667	4-Amino-1,3-benzenediol; Di-Me ether 	C8H11NO2	153.078978	NA	MeJP	NA	NA
+MJ002668	5-Hydroxy-4,6-dimethyl-3-pyridinemethanol 	C8H11NO2	153.078978	NA	MeJP	NA	NA
+MJ002669	Dopamine 	C8H11NO2	153.078978	NA	MeJP	NA	NA
+MJ002670	Octopamine 	C8H11NO2	153.078978	NA	MeJP	NA	NA
+LABER076	Dopamine	NA	153.078979	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER089	Dopamine	NA	153.078979	RT 2.58 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER076	Dopamine	NA	153.078979	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER089	Dopamine	NA	153.078979	RT 2.58 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER076	Dopamine	NA	153.078979	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER089	Dopamine	NA	153.078979	RT 2.58 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER076	Dopamine	NA	153.078979	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER089	Dopamine	NA	153.078979	RT 2.58 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER076	Dopamine	NA	153.078979	NA	HMDB	NA	NA
+LABER089	Dopamine	NA	153.078979	RT 2.58 	HMDB	NA	NA
+HMDB00073	Dopamine	C8H11NO2	153.078979	NA	HMDB2010	NA	NA
+HMDB04825	p-Octopamine	C8H11NO2	153.078979	NA	HMDB2010	NA	NA
+HMDB12309	Vanillylamine	C8H11NO2	153.078979	NA	HMDB2010	NA	NA
+LABER076	Dopamine	NA	153.078979	NA	Inhouse_PFEM	NA	NA
+LABER089	Dopamine	NA	153.078979	RT 2.58 	Inhouse_PFEM	NA	NA
+LABER076	Dopamine	NA	153.078979	NA	Inhousejuil11	NA	NA
+LABER089	Dopamine	NA	153.078979	RT 2.58 	Inhousejuil11	NA	NA
+MetaCyc01057	dopamine [deoxyepinephrine;hydroxytyramine;3,4-dihydroxyphenethylamine;intropin;2-(3,4-dihydroxyphenyl)ethylamine;4-(2-aminoethyl)benzene-1,2-diol;]	C8H11N1O2	153.078979	51-61-6	metacyc	NA	NA
+MetaCyc01058	1-(4-hydroxyphenyl)-2-aminoethanol [Octopamine;p-Hydroxyphenylethanolamine;]	C8H11N1O2	153.078979	104-14-3	metacyc	NA	NA
+LABER076	Dopamine	NA	153.078979	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER089	Dopamine	NA	153.078979	RT 2.58 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER076	Dopamine	NA	153.078979	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER089	Dopamine	NA	153.078979	RT 2.58 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00073	Dopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB00073	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB04825	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00073	Dopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB00073	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB04825	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00073	Dopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB00073	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB04825	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00073	Dopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB00073	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB04825	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00073	Dopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB00073	HMDB	NA	NA
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB04825	HMDB	NA	NA
+HMDB00073	Dopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB00073	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	http://www.hmdb.ca/metabolites/HMDB04825	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00073	Dopamine	C8H11NO2	153.07898	HMDB00073	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04825	p-Octopamine	C8H11NO2	153.07898	HMDB04825	PFEM_hmdb_metabocards_official	NA	NA
+C03758	Dopamine	C8H11NO2	153.079	NA	KEGG	NA	NA
+C04227	1-(4-Hydroxyphenyl)-2-aminoethanol	C8H11NO2	153.079	NA	KEGG	NA	NA
+C16666	Vanillylamine	C8H11NO2	153.079	NA	KEGG	NA	NA
+C05135	4-(beta-Acetylaminoethyl)imidazole	C7H11N3O	153.0902	NA	KEGG	NA	NA
+C16399	2,4-Diamino-6-hydroxylaminotoluene	C7H11N3O	153.0902	NA	KEGG	NA	NA
+HMDB13253	N-Acetylhistamine	C7H11N3O	153.09021	NA	HMDB2010	NA	NA
+MJ002671	Histamine 	C7H11N3O	153.090211	NA	MeJP	NA	NA
+MJ002672	4-(beta-Acetylaminoethyl)imidazole 	C7H11N3O	153.090212	NA	MeJP	NA	NA
+C07454	N-Guanylhistamine	C6H11N5	153.1014	NA	KEGG	NA	NA
+MJ002673	Histaguanidine 	C6H11N5	153.101445	NA	MeJP	NA	NA
+MJ002674	Supinidine, Me ether 	C9H15NO	153.115364	NA	MeJP	NA	NA
+MJ002675	5-Methyl-2-furanmethanamine; N,N,N-Tri-Me 	C9H16NO(+)	153.115364	NA	MeJP	NA	NA
+C10865	Pseudopelletierine	C9H15NO	153.1154	NA	KEGG	NA	NA
+MJ002676	1,2,3,6-Tetrahydro-2,2,6,6-tetramethylpyridine; N-Me 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002677	2,3,4,5-Tetrahydro-6-pentylpyridine 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002678	Azacyclo-6-undecene 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002679	Butynamine 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002680	N-Normethylskytanthine 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002681	Octahydro-5,7-dimethylindolizine 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002682	Saururine 	C10H19N	153.151749	NA	MeJP	NA	NA
+MJ002683	Skytanthus acutus Alkaloid E 	C10H19N	153.151749	NA	MeJP	NA	NA
+HMDB00021	Iodotyrosine	C9H10INO3	153.4852755	MH2+	Inhouse_peptide	NA	peptide
+HMDB00125	Glutathione	C10H17N3O6S	153.5419005	MH2+	Inhouse_peptide	NA	peptide
+MJ002684	Ethylarsonic acid 	C2H7AsO3	153.961115	NA	MeJP	NA	NA
+MJ002685	S-1-Propenyl thiosulfate 	C3H6O3S2	153.975835	NA	MeJP	NA	NA
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR357	Flavine adenine dinucleotide F7	NA	153.980875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR357	Flavine adenine dinucleotide F7	NA	153.980875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR357	Flavine adenine dinucleotide F7	NA	153.980875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR357	Flavine adénine dinucléotide F7	F7	153.980875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR357	Flavine adenine dinucleotide F7	NA	153.980875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR357	Flavine adenine dinucleotide F7	F7	153.980875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR448	Flavine Mononucleotide F6	NA	153.982575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR448	Flavine Mononucleotide F6	NA	153.982575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR448	Flavine Mononucleotide F6	NA	153.982575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR448	Flavine Mononucléotide F6	F6	153.982575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR448	Flavine Mononucleotide F6	NA	153.982575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR448	Flavine Mononucleotide F6	F6	153.982575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ002686	3-Chlorotetrahydrothiophene, S,S-Dioxide 	C4H7ClO2S	153.985527	NA	MeJP	NA	NA
+MJ002687	Ethyl (methylthio)methyl disulfide 	C4H10S3	153.994462	NA	MeJP	NA	NA
+MetaCyc01059	uracil 5-carboxylate [Uracil 5-carboxylic acid;]	C5H2N2O4	154.001457	23945-44-0	metacyc	NA	NA
+C02876	Propanoyl phosphate	C3H7O5P	154.0031	NA	KEGG	NA	NA
+C03505	Hydroxyacetone phosphate	C3H7O5P	154.0031	NA	KEGG	NA	NA
+C03947	Glycerol 1,2-cyclic phosphate	C3H7O5P	154.0031	NA	KEGG	NA	NA
+MJ002688	Propanoyl phosphate 	C3H7O5P	154.003109	NA	MeJP	NA	NA
+MJ002689	2-Hydroxy-3-(hydroxyphosphinyl)propanoic acid 	C3H7O5P	154.003109	NA	MeJP	NA	NA
+MetaCyc01060	propionyl-P [propionyl-phosphate;propanoyl-P;Propanoyl phosphate;]	C3H7O5P1	154.00311	121-69-7	metacyc	NA	NA
+MetaCyc01061	hydroxyacetone phosphate [acetol phosphate;]	C3H7O5P1	154.00311	NA	metacyc	NA	NA
+MetaCyc01062	glycerol 1,2-cyclic phosphate []	C3H7O5P1	154.00311	NA	metacyc	NA	NA
+MJ002690	2-Mercaptobenzoic acid 	C7H6O2S	154.00885	NA	MeJP	NA	NA
+C00265	Dithiothreitol	C4H10O2S2	154.0122	NA	KEGG	NA	NA
+C00950	Dithioerythritol	C4H10O2S2	154.0122	NA	KEGG	NA	NA
+MetaCyc01063	dithiothreitol [dithiothreitol;DTT;1,4-Dithiothreitol;threo-1,4-Dimercapto-2,3-butanediol;1,4-disulfanylbutane-2,3-diol;1,4-Dithio-dl-threitol;]	C4H10O2S2	154.012221	12/03/3483	metacyc	NA	NA
+MetaCyc01064	dithioerythritol [DTE;erythro-1, 4-dimercapto-2,3-butanediol;]	C4H10O2S2	154.012221	6892-68-8	metacyc	NA	NA
+C06647	4-Chloroacetophenone	C8H7ClO	154.0185	NA	KEGG	NA	NA
+MJ002691	4-Chloroacetophenone 	C8H7ClO	154.018542	NA	MeJP	NA	NA
+MJ002692	Sodium perborate tetrahydrate 	BH8NaO7	154.026077	NA	MeJP	NA	NA
+C00196	2,3-Dihydroxybenzoate	C7H6O4	154.0266	NA	KEGG	NA	NA
+C00230	3,4-Dihydroxybenzoate	C7H6O4	154.0266	NA	KEGG	NA	NA
+C00628	2,5-Dihydroxybenzoate	C7H6O4	154.0266	NA	KEGG	NA	NA
+C16748	Patulin	C7H6O4	154.0266	NA	KEGG	NA	NA
+MJ002693	1,7-Dioxaspiro[4.4]non-2-ene-4,8-dione 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002694	2,3,4-Trihydroxy-2,4,6-cycloheptatrien-1-one 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002695	2,3-Dihydroxy-5-methyl-1,4-benzoquinone 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002696	2,3-Dihydroxybenzoic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002697	2,4,5-Trihydroxybenzaldehyde 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002698	2,4-Dihydroxybenzoic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002699	2,5-Dihydroxy-3-methyl-1,4-benzoquinone 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002700	2,5-Dihydroxybenzoic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002701	3,4,5-Trihydroxybenzaldehyde 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002702	3,4-Dihydroxybenzoic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002703	3,5-Dihydroxybenzoic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002704	4-Oxo-4H-pyran-3-acetic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002705	Isopatulin 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002706	Patulin 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002707	Phyllostine 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002708	Terreic acid 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002709	2,3-Dihydroxybenzoate 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002710	2,5-Dihydroxybenzoate 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MJ002711	3,4-Dihydroxybenzoate 	C7H6O4	154.026608	NA	MeJP	NA	NA
+MetaCyc01065	2,5-dihydroxybenzoate [Gentisic acid;Hydroquinonecarboxylic acid;Gentisate;]	C7H6O4	154.026609	490-79-9	metacyc	NA	NA
+MetaCyc01066	2,3-dihydroxybenzoate [2,3-Dihydroxybenzoic acid;]	C7H6O4	154.026609	303-38-8	metacyc	NA	NA
+MetaCyc01067	protocatechuate [protocatechuic acid;3,4-dihydroxybenzoate;3,4-dihydrobenzoic acid;Pca;]	C7H6O4	154.026609	NA	metacyc	NA	NA
+HMDB00152	Gentisic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB00152	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00397	2-Pyrocatechuic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB00397	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01856	Protocatechuic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB01856	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00152	Gentisic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB00152	HMDB	NA	NA
+HMDB00397	2-Pyrocatechuic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB00397	HMDB	NA	NA
+HMDB01856	Protocatechuic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB01856	HMDB	NA	NA
+HMDB00152	Gentisic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB00152	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00397	2-Pyrocatechuic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB00397	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01856	Protocatechuic acid	C7H6O4	154.02661	http://www.hmdb.ca/metabolites/HMDB01856	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00152	Gentisic acid	C7H6O4	154.02661	HMDB00152	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00397	2-Pyrocatechuic acid	C7H6O4	154.02661	HMDB00397	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01856	Protocatechuic acid	C7H6O4	154.02661	HMDB01856	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00152	Gentisic acid	C7H6O4	154.026611	NA	HMDB2010	NA	NA
+HMDB00397	2-Pyrocatechuic acid	C7H6O4	154.026611	NA	HMDB2010	NA	NA
+HMDB01856	Protocatechuic acid	C7H6O4	154.026611	NA	HMDB2010	NA	NA
+HMDB13173	3,5-Dihydroxyphenylbenzoic acid	C7H6O4	154.026611	NA	HMDB2010	NA	NA
+CJneg0157	2,5-dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=5.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0158	2,6-Dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=6.12 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0159	3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=4.83 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0160	2,3-Dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=5.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0157	2,5-dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=5.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0158	2,6-Dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=6.12 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0159	3,5-dihydroxybenzoic acid / 3,4-dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=4.83 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0160	2,3-Dihydroxybenzoic acid [(M-H)]-	C7H5O4	154.027125	C18rt(min)=5.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14706	Diethyl sulfate	C4H10O4S	154.03	NA	KEGG	NA	NA
+C03277	Imidazol-5-yl-pyruvate	C6H6N2O3	154.0378	NA	KEGG	NA	NA
+C03278	Inactivated bradykinin	C6H6N2O3	154.0378	NA	KEGG	NA	NA
+C03762	3-Imidazole-2-oxopropanoate	C6H6N2O3	154.0378	NA	KEGG	NA	NA
+MJ002712	5-Methylpyrazinecarboxylic acid; 4-N-Oxide 	C6H6N2O3	154.037842	NA	MeJP	NA	NA
+MJ002713	Imidazol-5-yl-pyruvate 	C6H6N2O3	154.037842	NA	MeJP	NA	NA
+MetaCyc01068	imidazole-pyruvate [3-(imidazol-5-yl)-pyruvate;imidazol-5-yl-pyruvate;]	C6H6N2O3	154.037842	NA	metacyc	NA	NA
+HMDB12209	Diethylphosphate	C4H11O4P	154.03949	NA	HMDB2010	NA	NA
+MJ002714	Diethylphosphoric acid 	C4H11O4P	154.039495	NA	MeJP	NA	NA
+MetaCyc01069	diethylphosphate [Diethylphosphoric acid;O,O-diethylphosphoric acid;diethylphosphate;phosphoric acid, diethyl ester;diethyl hydrogen phosphate;diethyl phosphoric acid;]	C4H11O4P1	154.039495	598-02-7	metacyc	NA	NA
+C06608	Diethylphosphoric acid	C4H11O4P	154.0395	NA	KEGG	NA	NA
+MJ002715	1-Phenyl-2,4-pentadiyn-1-one 	C11H6O	154.041864	NA	MeJP	NA	NA
+CJpos0319	Hydroxyanthranilic acid isomer [(M+H)]+ (13C)	C613CH8NO3	154.045375	C18rt(min)=4.55 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0319	Hydroxyanthranilic acid isomer [(M+H)]+ (13C)	C613CH8NO3	154.045375	C18rt(min)=4.55 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002716	1H-Imidazole-4,5-dicarboxamide 	C5H6N4O2	154.049075	NA	MeJP	NA	NA
+CJpos0320	N4-acetylcytidine [(M+H)-(C5H8O4)]+ (13C)	C513CH8N3O2	154.056675	C18rt(min)=4.51 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0320	N4-acetylcytidine [(M+H)-(C5H8O4)]+ (13C)	C513CH8N3O2	154.056675	C18rt(min)=4.51 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0321	Butyrylcarnitine [(M+H)-(NC3H9)-(H2O)]+	C8H11N0O3	154.062475	C18rt(min)=4.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0322	Hydroxysuberic acid isomer [(M+H)-2(H2O)]+	C8H11O3	154.062475	C18rt(min)=4.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0321	Butyrylcarnitine [(M+H)-(NC3H9)-(H2O)]+	C8H11N0O3	154.062475	C18rt(min)=4.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0322	Hydroxysuberic acid isomer [(M+H)-2(H2O)]+	C8H11O3	154.062475	C18rt(min)=4.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH135	Syringic acid [M+H-OMe-Me]+	NA	154.0629	11.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH135	Syringic acid [M+H-OMe-Me]+	NA	154.0629	11.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH135	Syringic acid [M+H-OMe-Me]+	NA	154.0629	11.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH135	Syringic acid [M+H-OMe-Me]+	NA	154.0629	11.87	Inhousejuil11	NA	NA
+HMDB05784	Hydroxytyrosol	C8H10O3	154.062988	NA	HMDB2010	NA	NA
+HMDB05784	Hydroxytyrosol	C8H10O3	154.06299	http://www.hmdb.ca/metabolites/HMDB05784	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05784	Hydroxytyrosol	C8H10O3	154.06299	http://www.hmdb.ca/metabolites/HMDB05784	HMDB	NA	NA
+HMDB05784	Hydroxytyrosol	C8H10O3	154.06299	http://www.hmdb.ca/metabolites/HMDB05784	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05784	Hydroxytyrosol	C8H10O3	154.06299	HMDB05784	PFEM_hmdb_metabocards_official	NA	NA
+MJ002717	1,2,3-Benzenetriol; 1,2-Di-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002718	1,2,3-Benzenetriol; 1,3-Di-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002719	1,2,4-Benzenetriol; 1,2-Di-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002720	2,2-Dimethyl-1,3,5-cyclohexanetrione 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002721	2-(2,5-Dihydroxyphenyl)ethanol 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002722	2-(3,4-Dihydroxyphenyl)ethanol 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002723	3,4-Dihydroxybenzyl alcohol; 3-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002724	3,5-Dihydroxybenzyl alcohol; 3-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002725	4-Hydroxy-3,6-dimethyl-2H-pyran-2-one; Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002726	5,6,7,8-Tetrahydro-8-methyl-2H-oxecin-2,5-dione 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002727	5-Hydroxy-3-methoxy-5-vinyl-2-cyclopenten-1-one 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002728	5-Methyl-1,2,3-benzenetriol; 1-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002729	6-Methyl-1,2,4-benzenetriol; 2-Me ether 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002730	Aquilegiolide; 4,5-Dihydro 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002731	Aquilegiolide; 7a-Epimer, 4,5-dihydro 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002732	Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone; 3,4-Didehydro 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002733	Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone; 5-Epimer, 3,4-didehydro 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002734	Hexahydro-3a,4-dihydroxy-6(2H)-benzofuranone, 4-Deoxy, 4,5-didehydro 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002735	Phomalactone 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002736	Rengyolone 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002737	Terrein 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002738	?-Oxo-3-cyclohexene-1-acetic acid 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MJ002739	4-Hydroxy-3-methoxy-benzenemethanol 	C8H10O3	154.062994	NA	MeJP	NA	NA
+MetaCyc01070	vanillyl alcohol []	C8H10O3	154.062994	498-00-0	metacyc	NA	NA
+C06317	4-Hydroxy-3-methoxy-benzenemethanol	C8H10O3	154.063	NA	KEGG	NA	NA
+C10787	2,6-Dimethoxyphenol	C8H10O3	154.063	NA	KEGG	NA	NA
+CJpos0323	Gly-pro (glycylproline) [(M+H)-(H2O)]+	C7H11N2O2	154.073675	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0324	Pro-Gly (prolylglycine) [(M+H)-(H2O)]+	C7H11N2O2	154.073675	C18rt(min)=0.98 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0323	Gly-pro (glycylproline) [(M+H)-(H2O)]+	C7H11N2O2	154.073675	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0324	Pro-Gly (prolylglycine) [(M+H)-(H2O)]+	C7H11N2O2	154.073675	C18rt(min)=0.98 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002740	Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione 	C7H10N2O2	154.074227	NA	MeJP	NA	NA
+MJ002741	Pyracrimycin B 	C7H10N2O2	154.074227	NA	MeJP	NA	NA
+MJ002742	Zooanemonin 	C7H10N2O2	154.074227	NA	MeJP	NA	NA
+MJ002743	Biphenyl 	C12H10	154.07825	NA	MeJP	NA	NA
+MJ002744	1-Phenyl-1,3-hexadiyne 	C12H10	154.07825	NA	MeJP	NA	NA
+MJ002745	1-Phenyl-2,4-hexadiyne 	C12H10	154.07825	NA	MeJP	NA	NA
+MJ002746	2,4-Dodecadiene-6,8,10-triyne 	C12H10	154.07825	NA	MeJP	NA	NA
+MJ002747	3-Methyl-3-phenyl-1,4-pentadiyne 	C12H10	154.07825	NA	MeJP	NA	NA
+MetaCyc01071	Biphenyl []	C12H10	154.07825	NA	metacyc	NA	NA
+C06588	Biphenyl	C12H10	154.0783	NA	KEGG	NA	NA
+C16927	Capillene	C12H10	154.0783	NA	KEGG	NA	NA
+MJ002748	1-Hydroxy-2-nonyn-4-one 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002749	2,4-Hexadien-1-ol, Propanoyl 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002750	2,6-Dimethyl-2,5-heptadienoic acid 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002751	2,6-Nonadienoic acid 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002752	3-Butyl-5-methyl-5H-furan-2-one 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002753	3-Ethenyl-3,4-dihydro-2H-pyran-4-ethanol 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002754	3-Hexenoic acid, 2-Propenyl ester 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002755	3-Nonene-2,5-dione 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002756	4,6,8-Nonatriene-2,3-diol 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002757	4-Vinyl-2,8-dioxabicyclo[3.3.1]nonane 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002758	6-Hydroxy-6-methyl-3,7-octadien-2-one 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002759	6-Methyl-2,4-octadienoic acid 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002760	7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002761	8-Nonynoic acid 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002762	Boschnialactone 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002763	Dihydro-5-(2-pentenyl)-2(3H)-furanone 	C9H14O2	154.099379	NA	MeJP	NA	NA
+MJ002764	Mitsugashiwalactone 	C9H14O2	154.099379	NA	MeJP	NA	NA
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	HMDB	NA	NA
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	Inhouse_PFEM	NA	NA
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR007	4-oxo-2-nonenal	C9H14O2	154.09938	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR007	4-oxo-2-nonenal	C9H14O2	154.0994	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR007	4-oxo-2-nonenal	C9H14O2	154.0994	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR007	4-oxo-2-nonenal	C9H14O2	154.0994	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR007	4-oxo-2-nonenal	C9H14O2	154.0994	Wishlist	Inhousejuil11	NA	NA
+C09772	Boschnialactone	C9H14O2	154.0994	NA	KEGG	NA	NA
+MJ002765	1,2,5,6-Tetrahydro-3-pyridinecarboxaldehyde; N-Me, (E)-O-methyloxime 	C8H14N2O	154.110613	NA	MeJP	NA	NA
+MJ002766	Loline 	C8H14N2O	154.110613	NA	MeJP	NA	NA
+MJ002767	Guancidine 	C7H14N4	154.121846	NA	MeJP	NA	NA
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR517	12-HPETE F6	NA	154.135325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR517	12-HPETE F6	NA	154.135325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR517	12-HPETE F6	NA	154.135325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR517	12-HPETE F6	NA	154.135325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR517	12-HPETE F6	F6	154.135325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04043	Alpha-Terpineol	C10H18O	154.135757	NA	HMDB2010	NA	NA
+HMDB04472	Eucalyptol	C10H18O	154.135757	NA	HMDB2010	NA	NA
+HMDB05812	Geraniol	C10H18O	154.135757	NA	HMDB2010	NA	NA
+MJ002768	1,2-Dimethyl-3-(1-methylethenyl)cyclopentanol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002769	1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002770	1,4-Epoxy-p-menthane 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002771	1,8-Epoxy-p-menthane 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002772	1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002773	10-Pinanol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002774	2,5,5-Trimethyl-3,6-heptadien-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002775	2,6-Dimethyl-4,7-octadien-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002776	2,6-Dimethyl-5,7-octadien-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002777	2,6-Dimethyl-7-octen-3-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002778	2,6-Dimethyl-7-octen-4-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002779	2-Bornanol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002780	2-Caranol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002781	2-Decenal 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002782	2-Methyl-6-methylene-2,7-octadien-4-ol, 2,3-Dihydro 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002783	2-Methyl-6-methylene-7-octen-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002784	2-Ochtoden-1-al, 1-Alcohol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002785	3,3,6-Trimethyl-1,5-heptadien-4-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002786	3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002787	3,7-Dimethyl-1,6-octadien-3-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002788	3,7-Dimethyl-2,6-octadien-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002789	3,7-Dimethyl-3,6-octadien-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002790	3,7-Dimethyl-6-octenal 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002791	3-Caranol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002792	3-Methyl-2-nonen-4-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002793	3-Pinanol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002794	4,6-Dimethyl-4-octen-3-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002795	4,6-Dimethyl-6-octen-3-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002796	4,7-Decadien-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002797	4-Thujanol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002798	4-tert-Butyl-2-cyclohexen-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002799	5-Ethyl-6-methyl-3-hepten-2-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002800	6,8-Epoxy-p-menthane 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002801	7-Methyl-3-methylene-6-octen-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002802	7-Methyl-3-methylene-7-octen-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002803	?-Necrodol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002804	Campholenic alcohol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002805	Chrysanthemol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002806	Lavandulol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002807	Rose oxide 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002808	Santolina alcohol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002809	Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002810	m-Menth-1(6)-en-8-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002811	m-Menth-1-en-8-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002812	m-Menth-8-en-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002813	p-Menth-1(7)-en-8-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002814	p-Menth-1-en-3-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002815	p-Menth-1-en-4-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002816	p-Menth-1-en-5-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002817	p-Menth-1-en-7-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002818	p-Menth-1-en-8-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002819	p-Menth-1-en-9-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002820	p-Menth-2-en-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002821	p-Menth-3-en-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002822	p-Menth-3-en-8-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002823	p-Menth-4(8)-en-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002824	p-Menth-4(8)-en-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002825	p-Menth-4(8)-en-3-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002826	p-Menth-4(8)-en-7-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002827	p-Menth-8-en-1-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002828	p-Menth-8-en-2-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002829	p-Menth-8-en-3-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002830	p-Menth-8-en-7-ol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002831	p-Menthan-2-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002832	p-Menthan-3-one 	C10H18O	154.135765	NA	MeJP	NA	NA
+MJ002833	(-)-endo-Fenchol 	C10H18O	154.135765	NA	MeJP	NA	NA
+MetaCyc01072	geraniol []	C10H18O1	154.135765	106-24-1	metacyc	NA	NA
+MetaCyc01073	(-)-endo-fenchol [fenchyl alcohol;]	C10H18O1	154.135765	1632-73-1	metacyc	NA	NA
+MetaCyc01074	sabinene hydrate []	C10H18O1	154.135765	546-79-2	metacyc	NA	NA
+MetaCyc01075	3,7-dimethylocta-1,6-dien-3-ol []	C10H18O1	154.135765	NA	metacyc	NA	NA
+MetaCyc01076	(-)-(4S)-&alpha;-terpineol []	C10H18O1	154.135765	NA	metacyc	NA	NA
+MetaCyc01077	(-)-borneol [L-borneol;(1S,2R,4S)-(-)-borneol;]	C10H18O1	154.135765	NA	metacyc	NA	NA
+MetaCyc01078	(+)-borneol [d-borneol;borneocamphor;endo-2-bornanol;sumatra camphor;(1R,2S,4R)-(+)-borneol;]	C10H18O1	154.135765	NA	metacyc	NA	NA
+MetaCyc01079	(+)-isomenthone []	C10H18O1	154.135765	NA	metacyc	NA	NA
+MetaCyc01080	1,8-cineole [cineole;1,8-epoxy-p-menthane;1,8-oxido-p-menthane;eucalyptol;cajeputol;]	C10H18O1	154.135765	NA	metacyc	NA	NA
+MetaCyc01081	(-)-menthone [l-menthone;p-menthan-3-one;]	C10H18O1	154.135765	10458-14-7	metacyc	NA	NA
+HMDB04472	Eucalyptol	C10H18O	154.13577	http://www.hmdb.ca/metabolites/HMDB04472	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04043	alpha-Terpineol	C10H18O	154.13577	http://www.hmdb.ca/metabolites/HMDB04043	HMDB	NA	NA
+HMDB04472	Eucalyptol	C10H18O	154.13577	http://www.hmdb.ca/metabolites/HMDB04472	HMDB	NA	NA
+HMDB05812	Geraniol	C10H18O	154.13577	http://www.hmdb.ca/metabolites/HMDB05812	HMDB	NA	NA
+HMDB04472	Eucalyptol	C10H18O	154.13577	http://www.hmdb.ca/metabolites/HMDB04472	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04043	alpha-Terpineol	C10H18O	154.13577	HMDB04043	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04472	Eucalyptol	C10H18O	154.13577	HMDB04472	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05812	Geraniol	C10H18O	154.13577	HMDB05812	PFEM_hmdb_metabocards_official	NA	NA
+C00843	(-)-Menthone	C10H18O	154.1358	NA	KEGG	NA	NA
+C01411	Borneol	C10H18O	154.1358	NA	KEGG	NA	NA
+C01500	Geraniol	C10H18O	154.1358	NA	KEGG	NA	NA
+C01765	(+)-Borneol	C10H18O	154.1358	NA	KEGG	NA	NA
+C01766	(-)-Borneol	C10H18O	154.1358	NA	KEGG	NA	NA
+C02344	(-)-endo-Fenchol	C10H18O	154.1358	NA	KEGG	NA	NA
+C02462	Sabinene hydrate	C10H18O	154.1358	NA	KEGG	NA	NA
+C02484	(+)-trans-Pulegol	C10H18O	154.1358	NA	KEGG	NA	NA
+C03039	(+)-trans-Piperitenol	C10H18O	154.1358	NA	KEGG	NA	NA
+C03985	3,7-Dimethylocta-1,6-dien-3-ol	C10H18O	154.1358	NA	KEGG	NA	NA
+C09844	1,8-Cineole	C10H18O	154.1358	NA	KEGG	NA	NA
+C09848	(R)-(+)-Citronellal	C10H18O	154.1358	NA	KEGG	NA	NA
+C09871	Nerol	C10H18O	154.1358	NA	KEGG	NA	NA
+C09902	(R)-(+)-alpha-Terpineol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11384	(S)-(-)-Citronellal	C10H18O	154.1358	NA	KEGG	NA	NA
+C11385	Globotetraosylceramide	C45H79N2O23R	154.1358	NA	KEGG	NA	NA
+C11388	(-)-Linalool	C10H18O	154.1358	NA	KEGG	NA	NA
+C11389	(+)-Linalool	C10H18O	154.1358	NA	KEGG	NA	NA
+C11390	(+)-Menthone	C10H18O	154.1358	NA	KEGG	NA	NA
+C11393	(-)-alpha-Terpineol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11396	(1R,2R,4R)-Dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11397	(1R,2S,4R)-Neo-dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11399	(1S,2S,4R)-Iso-dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11400	(1S,2R,4R)-Neoiso-dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11410	(1R,2S,4S)- Neoiso-dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11411	(1R,2R,4S)-Iso-dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11413	(1S,2S,4S)-Dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11416	(1S,2R,4S)-Neo-dihydrocarveol	C10H18O	154.1358	NA	KEGG	NA	NA
+C11952	(+)-Isomenthone	C10H18O	154.1358	NA	KEGG	NA	NA
+C16772	DL-alpha-Terpineol	C10H18O	154.1358	NA	KEGG	NA	NA
+C16909	1,4-Cineole	C10H18O	154.1358	NA	KEGG	NA	NA
+C17073	Terpineol-4	C10H18O	154.1358	NA	KEGG	NA	NA
+C17125	(-)-Isomenthone	C10H18O	154.1358	NA	KEGG	NA	NA
+C17384	Citronellal	C10H18O	154.1358	NA	KEGG	NA	NA
+C17517	beta-Terpineol	C10H18O	154.1358	NA	KEGG	NA	NA
+C17518	gamma-Terpineol	C10H18O	154.1358	NA	KEGG	NA	NA
+C17611	Chrysanthemol	C10H18O	154.1358	NA	KEGG	NA	NA
+C18017	8-p-Menthen-2-ol	C10H18O	154.1358	NA	KEGG	NA	NA
+MJ002834	1-Undecene 	C11H22	154.17215	NA	MeJP	NA	NA
+MJ002835	3-Undecene 	C11H22	154.17215	NA	MeJP	NA	NA
+MJ002836	4-Undecene 	C11H22	154.17215	NA	MeJP	NA	NA
+8026	synthetic peptide	PHG	154.5655	MH2+	Inhouse_peptide	NA	peptide
+7691	ACE inhibitor from wakame	KY	154.5785	MH2+	Inhouse_peptide	NA	peptide
+7697	ACE inhibitor from wakame	YK	154.5785	MH2+	Inhouse_peptide	NA	peptide
+C17383	Cobaltous sulfate	SO4	154.8849	NA	KEGG	NA	NA
+HMDB03629	2-Chlorobenzoic acid	C7H4ClO2	154.98997	http://www.hmdb.ca/metabolites/HMDB03629	HMDB	NA	NA
+HMDB03629	2-Chlorobenzoic acid	C7H4ClO2	154.98997	HMDB03629	PFEM_hmdb_metabocards_official	NA	NA
+C11731	m-Chlorobenzamide	C7H6ClNO	155.0138	NA	KEGG	NA	NA
+HMDB02916	4-Nitrocatechol	C6H5NO4	155.021851	NA	HMDB2010	NA	NA
+HMDB06200	2,4-Dihydroxy-nitrophenol	C6H5NO4	155.021851	NA	HMDB2010	NA	NA
+MJ002837	1H-Pyrrole-2,3-dicarboxylic acid 	C6H5NO4	155.021857	NA	MeJP	NA	NA
+MJ002838	1H-Pyrrole-2,5-dicarboxylic acid 	C6H5NO4	155.021857	NA	MeJP	NA	NA
+MJ002839	2-Nitro-1,4-benzenediol 	C6H5NO4	155.021857	NA	MeJP	NA	NA
+MJ002840	4-Nitrocatechol 	C6H5NO4	155.021857	NA	MeJP	NA	NA
+MetaCyc01082	2,6-dihydroxynicotinate []	C6H5N1O4	155.021858	NA	metacyc	NA	NA
+MetaCyc01083	4-nitrocatechol []	C6H5N1O4	155.021858	09/04/3316	metacyc	NA	NA
+HMDB02916	4-Nitrocatechol	C6H5NO4	155.02187	http://www.hmdb.ca/metabolites/HMDB02916	HMDB	NA	NA
+HMDB06200	2,4 dihydroxy nitrophenol	C6H5NO4	155.02187	http://www.hmdb.ca/metabolites/HMDB06200	HMDB	NA	NA
+HMDB02916	4-Nitrocatechol	C6H5NO4	155.02187	HMDB02916	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06200	2,4 dihydroxy nitrophenol	C6H5NO4	155.02187	HMDB06200	PFEM_hmdb_metabocards_official	NA	NA
+C02235	4-Nitrocatechol	C6H5NO4	155.0219	NA	KEGG	NA	NA
+C15523	2,6-Dihydroxynicotinate	C6H5NO4	155.0219	NA	KEGG	NA	NA
+CJneg0161	Pyrroledicarboxylic acid [(M-H)]-	C6H4NO4	155.022425	C18rt(min)=5.2 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0161	Pyrroledicarboxylic acid [(M-H)]-	C6H4NO4	155.022425	C18rt(min)=5.2 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002841	2-Amino-3-hydroxy-1-propanesulfonic acid 	C3H9NO4S	155.025228	NA	MeJP	NA	NA
+MJ002842	2,2'-Dichloro-N-methyldiethylamine 	C5H11Cl2N	155.026854	NA	MeJP	NA	NA
+C07115	Mechlorethamine	C5H11Cl2N	155.0269	NA	KEGG	NA	NA
+CJneg0162	2,5-dihydroxybenzoic acid [(M-H)]- (13C)	C613CH5O4	155.030525	C18rt(min)=5.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0163	2,6-Dihydroxybenzoic acid [(M-H)]- (13C)	C613CH5O4	155.030525	C18rt(min)=6.12 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0162	2,5-dihydroxybenzoic acid [(M-H)]- (13C)	C613CH5O4	155.030525	C18rt(min)=5.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0163	2,6-Dihydroxybenzoic acid [(M-H)]- (13C)	C613CH5O4	155.030525	C18rt(min)=6.12 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C01210	N-Methylethanolamine phosphate	C3H10NO4P	155.0347	NA	KEGG	NA	NA
+C01211	Procollagen 5-hydroxy-L-lysine	C7H13N3O3R2	155.0347	NA	KEGG	NA	NA
+C04122	D-1-Aminopropan-2-ol O-phosphate	C3H10NO4P	155.0347	NA	KEGG	NA	NA
+C04125	[Isocitrate dehydrogenase (NADP+)]	C4H6N2O3R2	155.0347	NA	KEGG	NA	NA
+C04126	L-1-Aminopropan-2-ol O-phosphate	C3H10NO4P	155.0347	NA	KEGG	NA	NA
+C04128	Low-density lipoprotein L-serine	C4H6N2O3R2	155.0347	NA	KEGG	NA	NA
+C04129	Membrane-derived oligosaccharide	C4H6N2O3R2	155.0347	NA	KEGG	NA	NA
+MetaCyc01084	(R)-1-aminopropan-2-yl phosphate []	C3H10N1O4P1	155.034744	NA	metacyc	NA	NA
+MetaCyc01085	N-methylethanolamine phosphate [P-MME;]	C3H10N1O4P1	155.034744	NA	metacyc	NA	NA
+7752	ACE inhibitor from shark meat hydrolysate	EY	155.0525	MH2+	Inhouse_peptide	NA	peptide
+C17367	(3S,5S)-Carbapenam-3-carboxylic acid	C7H9NO3	155.0582	NA	KEGG	NA	NA
+MJ002843	1-Hydroxy-5-methoxy-6-methyl-2(1H)-pyridinone 	C7H9NO3	155.058243	NA	MeJP	NA	NA
+MJ002844	2,4-Pyrrolidinedione; Enol-form, Me ether, N-Ac 	C7H9NO3	155.058243	NA	MeJP	NA	NA
+MJ002845	6-Amino-5-hydroxy-1,3-cyclohexadiene-1-carboxylic acid 	C7H9NO3	155.058243	NA	MeJP	NA	NA
+MJ002846	7-Oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 	C7H9NO3	155.058243	NA	MeJP	NA	NA
+MJ002847	Allomethadione 	C7H9NO3	155.058243	NA	MeJP	NA	NA
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	PFEM_hmdb_metabocards_urine	NA	urine
+JH047	Histidine [M+H]+	C6H9N3O2	155.0652	1.03	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH047	Histidine [M+H]+	C6H9N3O2	155.0652	1.03	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH047	Histidine [M+H]+	C6H9N3O2	155.0652	1.03	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	HMDB	NA	NA
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	Inhouse_PFEM	NA	NA
+JH047	Histidine [M+H]+	C6H9N3O2	155.0652	1.03	Inhousejuil11	NA	NA
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	PFEM_hmdb_metabocards_blood	NA	blood
+JH047	Histidine 	C6H9N3O2	155.0652	Rtobs1.03	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0325	Histidine (and isomer) [M+H]+	C6H10O2N3	155.068975	C18rt(min)=0.83 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0325	Histidine (and isomer) [M+H]+	C6H10O2N3	155.068975	C18rt(min)=0.83 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR549	Histidine	[M+H]+	155.069175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR549	Histidine	[M+H]+	155.069175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR549	Histidine	[M+H]+	155.069175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR549	Histidine	C6H9N3O2	155.069175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR549	Histidine	[M+H]+	155.069175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR549	Histidine	C6H9N3O2	155.069175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	http://www.hmdb.ca/metabolites/HMDB00177	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	http://www.hmdb.ca/metabolites/HMDB00177	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	http://www.hmdb.ca/metabolites/HMDB00177	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	http://www.hmdb.ca/metabolites/HMDB00177	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	http://www.hmdb.ca/metabolites/HMDB00177	HMDB	NA	NA
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	Polypeptides  ;SYN:[leu]enkephalin; [Leu 5]enkephalin; [5-Leucine]Enkephalin; [Leu5]-Enkephalin; Leucine enkephalinH2Blood	Inhouse_peptide	NA	peptide
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	http://www.hmdb.ca/metabolites/HMDB00177	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00177	L-Histidine	C6H9N3O2	155.06947	HMDB00177	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00177	L-Histidine	C6H9N3O2	155.069473	NA	HMDB2010	NA	NA
+MJ002848	Histidine 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MJ002849	L-Histidine 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MJ002850	2-Amino-3-(1-pyrazolyl)propanoic acid 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MJ002851	2-Methyl-4(5)-nitroimidazole; 3H-form, N-Et 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MJ002852	4-Amino-2-methoxy-5-pyrimidinemethanol 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MJ002853	Histidine 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MJ002854	Medazomide 	C6H9N3O2	155.069476	NA	MeJP	NA	NA
+MetaCyc01086	3-(pyrazol-1-yl)-L-alanine [&beta;-(pyrazol-1-yl)-L-alanine;]	C6H9N3O2	155.069477	NA	metacyc	NA	NA
+MetaCyc01087	bacimethrin [2-methoxy-4-amino-5-hydroxymethylpyrimidine;4-amino-2-methoxy-5-pyrimidinemethanol;4-amino-5-hydroxymethyl-2-methoxypyrimidine;bacimethrine;5-pyrimidinemethanol, 4-amino-2-methoxy-;]	C6H9N3O2	155.069477	NA	metacyc	NA	NA
+MetaCyc01088	L-histidine [L-histidine;glyoxaline-5-alanine;&alpha;-amino-4-imidazoleproprionic acid;(S)-&alpha;-amino-1H-imidazole-4-propanoic acid;H;histidine;his;]	C6H9N3O2	155.069477	71-00-1	metacyc	NA	NA
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	PFEM_hmdb_metabocards_urine	NA	urine
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	HMDB	NA	NA
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	Inhouse_PFEM	NA	NA
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	Inhousejuil11	NA	NA
+C00135	L-Histidine	C6H9N3O2	155.0695	NA	KEGG	NA	NA
+C00768	Histidine	C6H9N3O2	155.0695	NA	KEGG	NA	NA
+C00769	Kininogen	C6H9N3O2	155.0695	NA	KEGG	NA	NA
+C01162	3-(Pyrazol-1-yl)-L-alanine	C6H9N3O2	155.0695	NA	KEGG	NA	NA
+C06419	D-Histidine	C6H9N3O2	155.0695	NA	KEGG	NA	NA
+PJ000016	H 	C6H9N3O2	155.0695	NA	PeJP	NA	NA
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	PFEM_hmdb_metabocards_blood	NA	blood
+LABER019	Histidine	NA	155.0695	156, 110, 83, 93	PFEM_hmdb_metabocards_official	NA	NA
+MJ002855	4-Phenylpyridine 	C11H9N	155.073499	NA	MeJP	NA	NA
+MJ002856	7-Isothiocyanato-1-heptene 	C8H13NS	155.07687	NA	MeJP	NA	NA
+C06557	Deisopropylhydroxyatrazine	C5H9N5O	155.0807	NA	KEGG	NA	NA
+MetaCyc01089	deethylhydroxyatrazine [OAIT;2-hydroxy-4-amino-6-isopropylamino-s-triazine;]	C5H9N5O1	155.08071	NA	metacyc	NA	NA
+MetaCyc01090	N-ethylammeline [OEAT;deisopropylhydroxyatrazine;2-hydroxy-4-ethylamino-6-amino-s-triazine;]	C5H9N5O1	155.08071	7313-54-4	metacyc	NA	NA
+CJpos0326	N-Acetylleucine  [(M+H)-(H2O)]+	C8H14NO2	155.094075	C18rt(min)=6.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0326	N-Acetylleucine  [(M+H)-(H2O)]+	C8H14NO2	155.094075	C18rt(min)=6.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C06177	Retronecine	C8H13NO2	155.0946	NA	KEGG	NA	NA
+C10129	Arecoline	C8H13NO2	155.0946	NA	KEGG	NA	NA
+C10321	Heliotridine	C8H13NO2	155.0946	NA	KEGG	NA	NA
+C10866	Scopoline	C8H13NO2	155.0946	NA	KEGG	NA	NA
+MJ002857	1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid, N-Di-Me, betaine 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002858	1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid; Me ester 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002859	1,2-Epoxy-1-hydroxymethylpyrrolizidine 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002860	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002861	3-Ethyl-3-methylpentanedioic acid; Imide 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002862	7-Hydroxy-1-methylenepyrrolizidine, N-Oxide 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002863	Atpenin; Atpenin A4 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002864	Hexahydro-7a-hydroxy-3H-pyrrolizin-3-one, Me ether 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002865	Scopine 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002866	Scopoline 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002867	?-Amino-?-methyl-2-methylenecyclopropanepropanoic acid 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+MJ002868	Retronecine 	C8H13NO2	155.094628	NA	MeJP	NA	NA
+C06184	N-Methylpelletierine	C9H17NO	155.131	NA	KEGG	NA	NA
+MJ002869	1-(6-Methyl-2-piperidinyl)-2-propanone 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002870	2,2,6,6-Tetramethyl-4-piperidinone 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002871	2,2-Diethyl-4-pentenoic acid; Amide 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002872	2-(2-Hydroxybutyl)piperidine, 8-Ketone 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002873	Octahydro-8-indolizinemethanol 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002874	Pelletierine, N-Me 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002875	N-Methylpelletierine 	C9H17NO	155.131014	NA	MeJP	NA	NA
+MJ002876	1,2,2,6,6-Pentamethylpiperidine 	C10H21N	155.167399	NA	MeJP	NA	NA
+MJ002877	2-Butylpiperidine, N-Me 	C10H21N	155.167399	NA	MeJP	NA	NA
+MJ002878	3-Methylpyrrolidine, N-(2-Methylbutyl) 	C10H21N	155.167399	NA	MeJP	NA	NA
+MJ002879	3-Methylpyrrolidine, N-(3-Methylbutyl) 	C10H21N	155.167399	NA	MeJP	NA	NA
+MJ002880	Cylexedrine 	C10H21N	155.167399	NA	MeJP	NA	NA
+MJ002881	N-Methyl-2-cyclohexyl-2-propylamine 	C10H21N	155.167399	NA	MeJP	NA	NA
+MJ002882	2-Propylpiperidine, N-Di-Me 	C10H22N(+)	155.167399	NA	MeJP	NA	NA
+3524	ACE inhibitor (from bovine beta-CN)	VPP	155.586	MH2+	Inhouse_peptide	NA	peptide
+MJ002883	Iodoethane 	C2H5I	155.943593	NA	MeJP	NA	NA
+MetaCyc01091	iodoethane [ethyl iodide;]	C2H5I1	155.943593	NA	metacyc	NA	NA
+MJ002884	Bromobenzene 	C6H5Br	155.957462	NA	MeJP	NA	NA
+MetaCyc01092	bromobenzene []	C6H5BR1	155.957463	108-86-1	metacyc	NA	NA
+C11036	Bromobenzene	C6H5Br	155.9575	NA	KEGG	NA	NA
+MJ002885	2-Phosphoglycolate 	C2H5O6P	155.982374	NA	MeJP	NA	NA
+MetaCyc01093	2-phosphoglycolate [2-p-glycolate;phosphoglycolate;Phosphoglycolic acid;]	C2H5O6P1	155.982374	NA	metacyc	NA	NA
+HMDB00816	Phosphoglycolic acid	C2H5O6P	155.982376	NA	HMDB2010	NA	NA
+HMDB00816	Phosphoglycolic acid	C2H5O6P	155.98238	http://www.hmdb.ca/metabolites/HMDB00816	HMDB	NA	NA
+HMDB00816	Phosphoglycolic acid	C2H5O6P	155.98238	HMDB00816	PFEM_hmdb_metabocards_official	NA	NA
+C00988	2-Phosphoglycolate	C2H5O6P	155.9824	NA	KEGG	NA	NA
+MJ002886	2-(Methylthio)ethanesulfonate 	C3H8O3S2	155.991485	NA	MeJP	NA	NA
+MJ002887	S-Propyl thiosulfate 	C3H8O3S2	155.991485	NA	MeJP	NA	NA
+MetaCyc01094	methyl-CoM [CH3-CoM;Me-S-CoM;Me-CoM;2-(methylthio)ethanesulfonate;methylcoenzyme M;CH3-S-CoM;s-methyl-CoM;]	C3H8O3S2	155.991486	NA	metacyc	NA	NA
+C03920	2-(Methylthio)ethanesulfonate	C3H8O3S2	155.9915	NA	KEGG	NA	NA
+HMDB01544	m-Chlorobenzoic acid	C7H5ClO2	155.9978	http://www.hmdb.ca/metabolites/HMDB01544	HMDB	NA	NA
+C02357	2-Chlorobenzoate	C7H5ClO2	155.9978	NA	KEGG	NA	NA
+C02370	4-Chlorobenzoate	C7H5ClO2	155.9978	NA	KEGG	NA	NA
+HMDB01544	m-Chlorobenzoic acid	C7H5ClO2	155.9978	HMDB01544	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01544	m-Chlorobenzoic acid	C7H5ClO2	155.997803	NA	HMDB2010	NA	NA
+MJ002888	4-Chlorobenzoate 	C7H5ClO2	155.997807	NA	MeJP	NA	NA
+MetaCyc01095	4-chlorobenzoate [4-Chlorobenzoic acid;]	C7H5O2CL1	155.997807	74-11-3	metacyc	NA	NA
+MetaCyc01096	m-chlorobenzoate [m-chlorobenzoic acid;3-chlorobenzoic acid;]	C7H5O2CL1	155.997807	NA	metacyc	NA	NA
+MetaCyc01097	2-chlorobenzoate [2-chlorobenzoic acid;o-chlorobenzoic acid;]	C7H5O2CL1	155.997807	118-91-2	metacyc	NA	NA
+JH077	Aconitic acid (cis-) [M+H-H20]+	NA	155.9997	7.59	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH077	Aconitic acid (cis-) [M+H-H20]+	NA	155.9997	7.59	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH077	Aconitic acid (cis-) [M+H-H20]+	NA	155.9997	7.59	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH077	Aconitic acid (cis-) [M+H-H20]+	NA	155.9997	7.59	Inhousejuil11	NA	NA
+JH117	Citric acid [M+H-2H2O]+	NA	156.0017	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH117	Citric acid [M+H-2H2O]+	NA	156.0017	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH117	Citric acid [M+H-2H2O]+	NA	156.0017	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH117	Citric acid [M+H-2H2O]+	NA	156.0017	2.57	Inhousejuil11	NA	NA
+MetaCyc01098	5-azaorotate [oxonate;allantoxanic acid;5-azaorotic acid;1,4,5,6-tetrahydro-4,6-dioxo-s-triazine-2-carboxylic acid;oxonic acid;2,6-dihydroxytriazinecarboxylate;s-triazine-2,4-dione-6-carboxylate;]	C4H2N3O4	156.004531	NA	metacyc	NA	NA
+HMDB04812	2,5-Furandicarboxylic acid	C6H4O5	156.00587	http://www.hmdb.ca/metabolites/HMDB04812	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04812	2,5-Furandicarboxylic acid	C6H4O5	156.00587	http://www.hmdb.ca/metabolites/HMDB04812	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04812	2,5-Furandicarboxylic acid	C6H4O5	156.00587	http://www.hmdb.ca/metabolites/HMDB04812	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04812	2,5-Furandicarboxylic acid	C6H4O5	156.00587	http://www.hmdb.ca/metabolites/HMDB04812	HMDB	NA	NA
+HMDB04812	2,5-Furandicarboxylic acid	C6H4O5	156.00587	HMDB04812	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04812	2,5-Furandicarboxylic acid	C6H4O5	156.005875	NA	HMDB2010	NA	NA
+MJ002889	(4-Chlorophenyl)dihydroxyborane 	C6H6BClO2	156.014937	NA	MeJP	NA	NA
+C00295	Orotate	C5H4N2O4	156.0171	NA	KEGG	NA	NA
+C03030	Uracil 5-carboxylate	C5H4N2O4	156.0171	NA	KEGG	NA	NA
+HMDB00226	Orotic acid	C5H4N2O4	156.017105	NA	HMDB2010	NA	NA
+MJ002890	Orotate 	C5H4N2O4	156.017106	NA	MeJP	NA	NA
+MJ002891	2,6-Dihydroxy-4-pyrimidinecarboxylic acid 	C5H4N2O4	156.017106	NA	MeJP	NA	NA
+MetaCyc01099	orotate [orotic acid;]	C5H4N2O4	156.017107	65-86-1	metacyc	NA	NA
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	http://www.hmdb.ca/metabolites/HMDB00226	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	http://www.hmdb.ca/metabolites/HMDB00226	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	http://www.hmdb.ca/metabolites/HMDB00226	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	http://www.hmdb.ca/metabolites/HMDB00226	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	http://www.hmdb.ca/metabolites/HMDB00226	HMDB	NA	NA
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	http://www.hmdb.ca/metabolites/HMDB00226	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00226	Orotic acid	C5H4N2O4	156.01711	HMDB00226	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0164	Orotic acid (and isomer) [(M-H)]-	C5H3N2O4	156.017625	C18rt(min)=1.03 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0164	Orotic acid (and isomer) [(M-H)]-	C5H3N2O4	156.017625	C18rt(min)=1.03 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc01100	1,2-propanediol 1-phosphate [propane-1,2-diol 1-phosphate;]	C3H9O5P1	156.01876	NA	metacyc	NA	NA
+C03894	Propane-1,2-diol 1-phosphate	C3H9O5P	156.0188	NA	KEGG	NA	NA
+C03895	Peptide-L-methionine (S)-S-oxide	C6H10N2O3SR2	156.0188	NA	KEGG	NA	NA
+C03896	Protein(N-Glu, Asp, Cystine)	C15H23N4O10S2R	156.0188	NA	KEGG	NA	NA
+MJ002892	4-Chloro-3,5-dimethylphenol 	C8H9ClO	156.034192	NA	MeJP	NA	NA
+C14715	4-Chloro-3,5-dimethylphenol	C8H9ClO	156.0342	NA	KEGG	NA	NA
+C13711	Thio-THIP	C6H8N2OS	156.0357	NA	KEGG	NA	NA
+CJpos0327	Deoxyribose [(M+Na)]+	C5H10NaO4	156.039275	C18rt(min)=0.97 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0328	Deoxyribose isomer [(M+Na)]+	C5H10NaO4	156.039275	C18rt(min)=2.44 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0327	Deoxyribose [(M+Na)]+	C5H10NaO4	156.039275	C18rt(min)=0.97 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0328	Deoxyribose isomer [(M+Na)]+	C5H10NaO4	156.039275	C18rt(min)=2.44 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002893	2,3-Dihydro-2,3-dihydroxybenzoate 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002894	2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002895	2-Hydroxy-6-keto-2,4-heptadienoate 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002896	3-Methyl-cis,cis-hexadienedioate 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002897	4-Carboxymethyl-4-methylbut-2-en-1,4-olide 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002898	2,5-Dihydro-2-methyl-5-oxo-2-furanacetic acid 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002899	2,5-Dihydro-2-oxo-3(5H)-furanpropanoic acid 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002900	3,4-Dihydro-4-oxo-2H-pyran-5-acetic acid 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002901	3,4-Epoxy-5-hydroxy-1-cyclohexenecarboxylic acid 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002902	4,5-Epoxy-3-hydroxy-1-cyclohexenecarboxylic acid 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002903	4-Hydroxy-6-hydroxymethyl-2H-pyran-2-one; 4-Me ether 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002904	5-Hydroxy-3-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002905	5-Methyl-1,2,3,4-benzenetetrol 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002906	Ascladiol 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002907	Epoxydon 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002908	Oxysporone 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002909	Phyllosticta Plant growth regulator 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002910	Sphaeropsidone 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MJ002911	Terremutin 	C7H8O4	156.042258	NA	MeJP	NA	NA
+MetaCyc01101	2,3-dihydro-2,3-dihydroxybenzoate [2,3-Dihydroxy-2,3-dihydrobenzoate;]	C7H8O4	156.042259	NA	metacyc	NA	NA
+MetaCyc01102	1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate []	C7H8O4	156.042259	NA	metacyc	NA	NA
+MetaCyc01103	1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate []	C7H8O4	156.042259	NA	metacyc	NA	NA
+MetaCyc01104	4-carboxymethyl-4-methylbut-2-en-1,4-olide [4-Methylmuconolactone;]	C7H8O4	156.042259	NA	metacyc	NA	NA
+MetaCyc01105	4-carboxymethyl-3-methylbut-2-en-1,4-olide [3-Methylmuconolactone;]	C7H8O4	156.042259	NA	metacyc	NA	NA
+MetaCyc01106	cis,cis-2-hydroxy-6-oxohepta-2,4-dienoate []	C7H8O4	156.042259	7244-95-3	metacyc	NA	NA
+MetaCyc01107	cis-1,2-dihydroxybenzoate [1,2-cis-dihydroxybenzoate;cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate;]	C7H8O4	156.042259	100459-00-5	metacyc	NA	NA
+C04112	3-Methyl-cis,cis-hexadienedioate	C7H8O4	156.0423	NA	KEGG	NA	NA
+C04171	(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate	C7H8O4	156.0423	NA	KEGG	NA	NA
+C04558	4-Carboxymethyl-3-methylbut-2-en-1,4-olide	C7H8O4	156.0423	NA	KEGG	NA	NA
+C04559	4-Carboxymethyl-4-methylbut-2-en-1,4-olide	C7H8O4	156.0423	NA	KEGG	NA	NA
+C04634	1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate	C7H8O4	156.0423	NA	KEGG	NA	NA
+C04635	1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine	C7H15NO6PR	156.0423	NA	KEGG	NA	NA
+C04636	1-Acyl-2-linoleoyl-sn-glycero-3-phosphocholine	C27H50NO8PR	156.0423	NA	KEGG	NA	NA
+C04637	1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate	C11H19O19P3R2	156.0423	NA	KEGG	NA	NA
+C06210	2-Hydroxy-6-keto-2,4-heptadienoate	C7H8O4	156.0423	NA	KEGG	NA	NA
+C06321	1,6-Dihydroxy-cis-2,4-cyclohexadiene-1-carboxylic acid	C7H8O4	156.0423	NA	KEGG	NA	NA
+C06760	2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde	C7H8O4	156.0423	NA	KEGG	NA	NA
+3388	ACE inhibitor	MY	156.0517	MH2+	Inhouse_peptide	NA	peptide
+8090	peptide derived from sardine muscle	MY	156.0517	MH2+	Inhouse_peptide	NA	peptide
+CJpos0329	Imidazolelactic acid isomers [(M+H)]+	C6H9N2O3	156.052975	C18rt(min)=0.95 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0329	Imidazolelactic acid isomers [(M+H)]+	C6H9N2O3	156.052975	C18rt(min)=0.95 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002912	4-Imidazolone-5-propanoate 	C6H8N2O3	156.053492	NA	MeJP	NA	NA
+MJ002913	Imidazole lactate 	C6H8N2O3	156.053492	NA	MeJP	NA	NA
+MJ002914	2-Hydroxy-3-(4-imidazolyl)propanoic acid 	C6H8N2O3	156.053492	NA	MeJP	NA	NA
+MJ002915	5-Amino-2-hexynedioic acid; 1-Monoamide 	C6H8N2O3	156.053492	NA	MeJP	NA	NA
+MetaCyc01108	imidazole-lactate [(S)-3-(imidazol-5-yl)-lactate;imidazol-5-yl-lactate;]	C6H8N2O3	156.053492	NA	metacyc	NA	NA
+MetaCyc01109	4-imidazolone-5-propionate [4-imidazolone-5-propanoate;4-imidazolone-5-propionic acid;4,5-dihydro-4-oxo-5-imidazolepropanoate;imidazolone propionic acid;imidazolonepropanoate;imidazolone propionate;(S)-3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate;3-(5-oxo-4,5-dihydro-3H-imidazol-4-yl)propanoate;]	C6H8N2O3	156.053492	17340-16-8	metacyc	NA	NA
+HMDB00544	5-Hydroxymethyl-4-methyluracil	C6H8N2O3	156.053497	NA	HMDB2010	NA	NA
+HMDB01014	4-Imidazolone-5-propionic acid	C6H8N2O3	156.053497	NA	HMDB2010	NA	NA
+HMDB02320	Imidazolelactic acid	C6H8N2O3	156.053497	NA	HMDB2010	NA	NA
+HMDB02320	Imidazolelactic acid	C6H8N2O3	156.0535	http://www.hmdb.ca/metabolites/HMDB02320	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02320	Imidazolelactic acid	C6H8N2O3	156.0535	http://www.hmdb.ca/metabolites/HMDB02320	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02320	Imidazolelactic acid	C6H8N2O3	156.0535	http://www.hmdb.ca/metabolites/HMDB02320	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00544	5-Hydroxymethyl-4-methyluracil	C6H8N2O3	156.0535	http://www.hmdb.ca/metabolites/HMDB00544	HMDB	NA	NA
+HMDB01014	4-Imidazolone-5-propionic acid	C6H8N2O3	156.0535	http://www.hmdb.ca/metabolites/HMDB01014	HMDB	NA	NA
+HMDB02320	Imidazolelactic acid	C6H8N2O3	156.0535	http://www.hmdb.ca/metabolites/HMDB02320	HMDB	NA	NA
+C03680	4-Imidazolone-5-propanoate	C6H8N2O3	156.0535	NA	KEGG	NA	NA
+C03817	(S)-3-(Imidazol-5-yl)lactate	C6H8N2O3	156.0535	NA	KEGG	NA	NA
+C03819	1-Acylglycerophosphoinositol	C10H18O12PR	156.0535	NA	KEGG	NA	NA
+C03820	1-Alkyl-2-acetyl-sn-glycerol	C5H9O4R	156.0535	NA	KEGG	NA	NA
+C05568	Imidazole lactate	C6H8N2O3	156.0535	NA	KEGG	NA	NA
+HMDB00544	5-Hydroxymethyl-4-methyluracil	C6H8N2O3	156.0535	HMDB00544	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01014	4-Imidazolone-5-propionic acid	C6H8N2O3	156.0535	HMDB01014	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02320	Imidazolelactic acid	C6H8N2O3	156.0535	HMDB02320	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0165	Imidazolelactic acid isomers [(M-H)]-	C6H7N2O3	156.054025	C18rt(min)=0.95 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0165	Imidazolelactic acid isomers [(M-H)]-	C6H7N2O3	156.054025	C18rt(min)=0.95 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14090	1-Naphthaldehyde	C11H8O	156.0575	NA	KEGG	NA	NA
+C14099	2-Naphthaldehyde	C11H8O	156.0575	NA	KEGG	NA	NA
+MJ002916	5-(3-Hydroxyphenyl)-1,3-pentadiyne 	C11H8O	156.057514	NA	MeJP	NA	NA
+MetaCyc01110	1-naphthaldehyde []	C11H8O1	156.057515	NA	metacyc	NA	NA
+C06558	N-Ethylammelide	C5H8N4O2	156.0647	NA	KEGG	NA	NA
+C11345	Triazolealanine	C5H8N4O2	156.0647	NA	KEGG	NA	NA
+MJ002917	2-Amino-3-(1H-1,2,4-triazol-3-yl)propanoic acid 	C5H8N4O2	156.064725	NA	MeJP	NA	NA
+MetaCyc01111	N-ethylammelide [N-ethylammelide;OOET;]	C5H8N4O2	156.064726	NA	metacyc	NA	NA
+C02938	3-Indoleacetonitrile	C10H8N2	156.0687	NA	KEGG	NA	NA
+HMDB06524	3-Indoleacetonitrile	C10H8N2	156.068741	NA	HMDB2010	NA	NA
+MJ002918	1H-Indole-3-acetic acid; Nitrile 	C10H8N2	156.068748	NA	MeJP	NA	NA
+MJ002919	2,3'-Bipyridine 	C10H8N2	156.068748	NA	MeJP	NA	NA
+MJ002920	3-Indoleacetonitrile 	C10H8N2	156.068748	NA	MeJP	NA	NA
+MetaCyc01112	indole-3-acetonitrile [indole-3-ylacetonitrile;3-indoleacetonitrile;(indole-3-yl)acetonitrile;]	C10H8N2	156.068748	NA	metacyc	NA	NA
+MetaCyc01113	2,2'-bipyridyl [2,2'-bipyridine;]	C10H8N2	156.068748	NA	metacyc	NA	NA
+HMDB06524	3-Indoleacetonitrile	C10H8N2	156.06876	http://www.hmdb.ca/metabolites/HMDB06524	HMDB	NA	NA
+HMDB06524	3-Indoleacetonitrile	C10H8N2	156.06876	HMDB06524	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0330	Histidine (and isomer) [M+H]+ (13C)	C5[13]CH10O2N3	156.072275	C18rt(min)=0.83 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0330	Histidine (and isomer) [M+H]+ (13C)	C5[13]CH10O2N3	156.072275	C18rt(min)=0.83 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0331	Suberic acid [(M+H)-(H2O)]+	C8H13O3	156.078075	C18rt(min)=6.46 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0331	Suberic acid [(M+H)-(H2O)]+	C8H13O3	156.078075	C18rt(min)=6.46 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ002921	5,6-Dihydro-6-(2-hydroxypropyl)-2H-pyran-2-one 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002922	5,6-Dihydroxy-3,6-dimethyl-2-cyclohexen-1-one 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002923	7-Methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002924	8-Hydroxy-5,6-octadienoic acid 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002925	Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002926	Hexahydro-3a,6(4H)-benzofurandiol, 6-Ketone 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002927	Rengyolone; 6?-Alcohol 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002928	?-Oxo-3-cyclohexene-1-acetic acid, ?-Alcohol 	C8H12O3	156.078644	NA	MeJP	NA	NA
+MJ002929	Ectylurea 	C7H12N2O2	156.089877	NA	MeJP	NA	NA
+C14217	1,6-Dimethylnaphthalene	C12H12	156.0939	NA	KEGG	NA	NA
+C14329	1,2-Dimethylnaphthalene	C12H12	156.0939	NA	KEGG	NA	NA
+C14330	2,6-Dimethylnaphthalene	C12H12	156.0939	NA	KEGG	NA	NA
+C14703	1,8-Dimethylnaphthalene	C12H12	156.0939	NA	KEGG	NA	NA
+MJ002930	1,4-Dimethylazulene 	C12H12	156.0939	NA	MeJP	NA	NA
+CJpos0332	N-Acetylleucine  [(M+H)-(H2O)]+ (13C)	C713CH14NO2	156.097475	C18rt(min)=6.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0332	N-Acetylleucine  [(M+H)-(H2O)]+ (13C)	C713CH14NO2	156.097475	C18rt(min)=6.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR006	4-hydroxynonenal	C9H16O2	156.115	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR006	4-hydroxynonenal	C9H16O2	156.115	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR006	4-hydroxynonenal	C9H16O2	156.115	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR006	4-hydroxynonenal	C9H16O2	156.115	Wishlist	Inhousejuil11	NA	NA
+C02445	Nonane-4,6-dione	C9H16O2	156.115	NA	KEGG	NA	NA
+C02446	O-Alkylglycerone	C3H5O3R	156.115	NA	KEGG	NA	NA
+C02447	O-Methylated RNA	C16H22N4O11PR	156.115	NA	KEGG	NA	NA
+C08471	Chalcogran	C9H16O2	156.115	NA	KEGG	NA	NA
+C08501	gamma-Nonalactone	C9H16O2	156.115	NA	KEGG	NA	NA
+MJ002931	(Tetrahydro-4-methyl-2H-pyran-2-yl)-2-propanone 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002932	1,3-Dimethyl-2,9-dioxabicyclo[3.3.1]nonane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002933	1,7-Dioxaspiro[5.5]undecane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002934	2,6-Dimethyl-5-heptenal, 1-Carboxylic acid 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002935	2-Ethyl-1,6-dioxaspiro[4.4]nonane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002936	2-Hepten-1-ol; Ac 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002937	2-Hydroxy-2,6,6-trimethylcyclohexanone 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002938	2-Methyl-1,6-dioxaspiro[4.5]decane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002939	2-Nonenoic acid 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002940	3,6-Dimethyl-2,4-heptanedione 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002941	3-(2-Hydroxypropyl)cyclohexanone 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002942	3-Nonenoic acid 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002943	4,5,7-Trimethyl-6,8-dioxabicyclo[3.2.1]octane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002944	4-Hydroxy-2-nonenal 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002945	4-Octenoic acid, Me ester 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002946	5-Butyldihydro-4-methyl-2(3H)-furanone 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002947	5-Ethyl-7-methyl-6,8-dioxabicyclo[3.2.1]octane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002948	6-Ethyltetrahydro-3,5-dimethyl-2H-pyran-2-one 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002949	6-Hydroxy-4,6-dimethyl-3-hepten-2-one 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002950	7-Methyl-1,6-dioxaspiro[4.5]decane 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002951	Brevicomin 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002952	Dihydro-5-pentyl-2(3H)-furanone 	C9H16O2	156.115029	NA	MeJP	NA	NA
+MJ002953	Hexanoic acid; 2-Propenyl ester 	C9H16O2	156.115029	NA	MeJP	NA	NA
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	HMDB	NA	NA
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc01114	nonane-4,6-dione []	C9H16O2	156.11503	NA	metacyc	NA	NA
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR006	4-hydroxynonenal	C9H16O2	156.11503	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04362	4-Hydroxynonenal	C9H16O2	156.115036	NA	HMDB2010	NA	NA
+HMDB04362	4-Hydroxynonenal	C9H16O2	156.11504	http://www.hmdb.ca/metabolites/HMDB04362	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04362	4-Hydroxynonenal	C9H16O2	156.11504	http://www.hmdb.ca/metabolites/HMDB04362	HMDB	NA	NA
+HMDB04362	4-Hydroxynonenal	C9H16O2	156.11504	http://www.hmdb.ca/metabolites/HMDB04362	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04362	4-Hydroxynonenal	C9H16O2	156.11504	HMDB04362	PFEM_hmdb_metabocards_official	NA	NA
+C00400	(-)-Menthol	C10H20O	156.1514	NA	KEGG	NA	NA
+C00401	Chondroitin	C10H20O	156.1514	NA	KEGG	NA	NA
+C00553	(+)-Neomenthol	C10H20O	156.1514	NA	KEGG	NA	NA
+C09849	beta-Citronellol	C10H20O	156.1514	NA	KEGG	NA	NA
+C11386	(-)-Citronellol	C10H20O	156.1514	NA	KEGG	NA	NA
+C12307	Decanal	C10H20O	156.1514	NA	KEGG	NA	NA
+HMDB03352	Menthol	C10H20O	156.15141	http://www.hmdb.ca/metabolites/HMDB03352	HMDB	NA	NA
+HMDB03352	Menthol	C10H20O	156.15141	HMDB03352	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03352	Menthol	C10H20O	156.151413	NA	HMDB2010	NA	NA
+HMDB11623	Decanal	C10H20O	156.151413	NA	HMDB2010	NA	NA
+MJ002954	1-Cyclohexyl-2-methyl-1-propanol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002955	2,3,6-Trimethyl-5-hepten-1-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002956	2-Decanone 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002957	3,7-Dimethyl-6-octen-1-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002958	3,7-Dimethyl-6-octen-2-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002959	3-Decen-1-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002960	4-Decanone 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002961	4-Methyl-5-nonanone 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002962	5-Decen-1-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002963	6-Methyl-3-nonanone 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002964	7-Methyl-3-methylene-1-octanol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002965	Decanal 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002966	p-Menthan-1-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002967	p-Menthan-2-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002968	p-Menthan-3-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002969	p-Menthan-4-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002970	p-Menthan-7-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002971	p-Menthan-8-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MJ002972	p-Menthan-9-ol 	C10H20O	156.151415	NA	MeJP	NA	NA
+MetaCyc01115	(+)-neoisomenthol []	C10H20O1	156.151415	NA	metacyc	NA	NA
+MetaCyc01116	(+)-isomenthol []	C10H20O1	156.151415	NA	metacyc	NA	NA
+MetaCyc01117	(+)-neomenthol []	C10H20O1	156.151415	NA	metacyc	NA	NA
+MetaCyc01118	(-)-menthol []	C10H20O1	156.151415	2216-51-5	metacyc	NA	NA
+MJ002973	1,4-Butanediamine; N-(3-Methyl-2-butenyl) 	C9H20N2	156.162648	NA	MeJP	NA	NA
+MJ002974	2-Methyldecane 	C11H24	156.1878	NA	MeJP	NA	NA
+MJ002975	3-Methyldecane 	C11H24	156.1878	NA	MeJP	NA	NA
+MJ002976	4-Methyldecane 	C11H24	156.1878	NA	MeJP	NA	NA
+MJ002977	5-Methyldecane 	C11H24	156.1878	NA	MeJP	NA	NA
+MJ002978	Undecane 	C11H24	156.1878	NA	MeJP	NA	NA
+MJ002979	Chromium(III) chloride (CrCl3) 	Cl3Cr	156.84707	NA	MeJP	NA	NA
+MJ002980	Cysteaminesulfonic acid 	C2H7NO3S2	156.986734	NA	MeJP	NA	NA
+C14407	2-Chloronitrobenzene	C6H4ClNO2	156.9931	NA	KEGG	NA	NA
+C14456	4-Chloronitrobenzene	C6H4ClNO2	156.9931	NA	KEGG	NA	NA
+JH033	Homocysteine [M+Na]+	NA	156.9949	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH033	Homocysteine [M+Na]+	NA	156.9949	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH033	Homocysteine [M+Na]+	NA	156.9949	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH033	Homocysteine [M+Na]+	NA	156.9949	1.28	Inhousejuil11	NA	NA
+MetaCyc01119	cysteamine S-phosphate [ethanethiol, 2-amino-, S-ester with phosphorothioic acid;phosphocysteamine;2-aminoethanethiol dihydrogen phosphate (ester);cysteamine S-phosphate;s-(2-aminoethyl) phosphorothioate;phosphorothioic acid, s-(2-aminoethyl) ester;ethanethiol, 2-amino-, dihydrogen phosphate (ester);]	C2H8N1O3P1S1	156.99625	NA	metacyc	NA	NA
+MJ002981	Oteracil 	C4H3N3O4	157.012355	NA	MeJP	NA	NA
+MJ002982	1,5-Dihydro-4H-furo[3,4-d][1,3]thiazin-7(2H)-one 	C6H7NO2S	157.019749	NA	MeJP	NA	NA
+CJpos0333	N-Acetylaspartic acid [(M+H)-(H2O)]+	C6H8NO4	157.036975	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0333	N-Acetylaspartic acid [(M+H)-(H2O)]+	C6H8NO4	157.036975	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02220	2-Aminomuconate	C6H7NO4	157.0375	NA	KEGG	NA	NA
+C14293	5-Nitro-2-furfuryl methyl ether	C6H7NO4	157.0375	NA	KEGG	NA	NA
+C17358	Clavam-2-carboxylate	C6H7NO4	157.0375	NA	KEGG	NA	NA
+HMDB01241	2-Aminomuconic acid	C6H7NO4	157.037506	NA	HMDB2010	NA	NA
+MJ002983	2-Aminomuconate 	C6H7NO4	157.037507	NA	MeJP	NA	NA
+MJ002984	2-(Hydroxymethyl)-5-nitrofuran; Me ether 	C6H7NO4	157.037507	NA	MeJP	NA	NA
+MJ002985	2-Oxo-4-methylenepentanedioic acid; 5-Amide 	C6H7NO4	157.037507	NA	MeJP	NA	NA
+MJ002986	5-Oxo-2(5H)-isoxazolepropanoic acid 	C6H7NO4	157.037507	NA	MeJP	NA	NA
+MJ002987	7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3-carboxylic acid 	C6H7NO4	157.037507	NA	MeJP	NA	NA
+MetaCyc01120	4-methylene-L-glutamate []	C6H7N1O4	157.037508	NA	metacyc	NA	NA
+MetaCyc01121	2-amino-muconate [2-Aminomuconate;]	C6H7N1O4	157.037508	NA	metacyc	NA	NA
+HMDB01241	2-Aminomuconic acid	C6H7NO4	157.03751	http://www.hmdb.ca/metabolites/HMDB01241	HMDB	NA	NA
+HMDB01241	2-Aminomuconic acid	C6H7NO4	157.03751	HMDB01241	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01122	cycocel [cyclocel;antywylegacz;chlormequat;]	C5H13N1CL2	157.042505	NA	metacyc	NA	NA
+MJ002988	4-Quinolinecarboxaldehyde 	C10H7NO	157.052763	NA	MeJP	NA	NA
+C14788	1-Nitrosonaphthalene	C10H7NO	157.0528	NA	KEGG	NA	NA
+CJneg0166	Imidazolelactic acid isomers [(M-H)]- (13C)	C513CH7N2O3	157.057425	C18rt(min)=0.95 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0166	Imidazolelactic acid isomers [(M-H)]- (13C)	C513CH7N2O3	157.057425	C18rt(min)=0.95 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ002989	Amthamine 	C6H11N3S	157.067368	NA	MeJP	NA	NA
+CJpos0334	3-Methylcrotonylglycine [(M+H)]+	C7H12NO3	157.073375	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0335	Asp-Leu Asp-Ile [(M+H)-(C3H7O2N)]+	C7H12NO3	157.073375	C18rt(min)=5.15 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0336	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+	C7H12NO3	157.073375	C18rt(min)=5.1 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0337	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+	C7H12NO3	157.073375	C18rt(min)=4.55 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0338	Tiglylglycine [(M+H)]+	C7H12NO3	157.073375	C18rt(min)=5.1 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0334	3-Methylcrotonylglycine [(M+H)]+	C7H12NO3	157.073375	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0335	Asp-Leu § Asp-Ile [(M+H)-(C3H7O2N)]+	C7H12NO3	157.073375	C18rt(min)=5.15 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0336	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+	C7H12NO3	157.073375	C18rt(min)=5.1 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0337	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+	C7H12NO3	157.073375	C18rt(min)=4.55 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0338	Tiglylglycine [(M+H)]+	C7H12NO3	157.073375	C18rt(min)=5.1 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00959	Tiglylglycine	C7H11NO3	157.07388	http://www.hmdb.ca/metabolites/HMDB00959	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00959	Tiglylglycine	C7H11NO3	157.07388	http://www.hmdb.ca/metabolites/HMDB00959	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00959	Tiglylglycine	C7H11NO3	157.07388	http://www.hmdb.ca/metabolites/HMDB00959	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00459	3-Methylcrotonylglycine	C7H11NO3	157.07388	http://www.hmdb.ca/metabolites/HMDB00459	HMDB	NA	NA
+HMDB00894	Vinylacetylglycine	C7H11NO3	157.07388	http://www.hmdb.ca/metabolites/HMDB00894	HMDB	NA	NA
+HMDB00959	Tiglylglycine	C7H11NO3	157.07388	http://www.hmdb.ca/metabolites/HMDB00959	HMDB	NA	NA
+HMDB00459	3-Methylcrotonylglycine	C7H11NO3	157.07388	HMDB00459	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00894	Vinylacetylglycine	C7H11NO3	157.07388	HMDB00894	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00959	Tiglylglycine	C7H11NO3	157.07388	HMDB00959	PFEM_hmdb_metabocards_official	NA	NA
+MJ002990	2-Amino-4-hydroxy-3-methylbutanoic acid, Lactone, N-Ac 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+MJ002991	2-Amino-4-hydroxy-6-heptynoic acid 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+MJ002992	2-Amino-4-hydroxymethyl-5-hexynoic acid 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+MJ002993	3-(2-Hydroxyethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+MJ002994	Ethadione 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+MJ002995	Furanomycin 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+MJ002996	Paramethadione 	C7H11NO3	157.073893	NA	MeJP	NA	NA
+HMDB00459	3-Methylcrotonylglycine	C7H11NO3	157.073898	NA	HMDB2010	NA	NA
+HMDB00959	Tiglylglycine	C7H11NO3	157.073898	NA	HMDB2010	NA	NA
+C07411	Paramethadione	C7H11NO3	157.0739	NA	KEGG	NA	NA
+C17361	2-Hydroxyethylclavam	C7H11NO3	157.0739	NA	KEGG	NA	NA
+C17724	Ethadione	C7H11NO3	157.0739	NA	KEGG	NA	NA
+CJneg0167	Tiglylglycine [(M-H)]-	C7H10NO3	157.074425	C18rt(min)=5.1 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0168	3-Methylcrotonylglycine [(M-H)]-	C7H10NO3	157.074425	C18rt(min)=5.2 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0167	Tiglylglycine [(M-H)]-	C7H10NO3	157.074425	C18rt(min)=5.1 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0168	3-Methylcrotonylglycine [(M-H)]-	C7H10NO3	157.074425	C18rt(min)=5.2 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0339	5,6-Dihydrouracil [(2M+H)-(C2HNO2)]+	C6H12N3O2	157.084575	C18rt(min)=1.1 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0339	5,6-Dihydrouracil [(2M+H)-(C2HNO2)]+	C6H12N3O2	157.084575	C18rt(min)=1.1 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH083	Arginine [M+H-NH3]+	NA	157.08514	1.13	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH083	Arginine [M+H-NH3]+	NA	157.08514	1.13	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH083	Arginine [M+H-NH3]+	NA	157.08514	1.13	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH083	Arginine [M+H-NH3]+	NA	157.08514	1.13	Inhousejuil11	NA	NA
+MJ002997	3-Methyl-4-phenyl-1H-pyrrole 	C11H11N	157.089149	NA	MeJP	NA	NA
+MJ002998	1-Hydroxy-1-hydroxymethylpyrrolizidine 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ002999	2-Pyrrolidineacetic acid, N-Me, Me ester 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003000	3-Aminopropanal; N-(3-Methylbutanoyl) 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003001	4-(Aminomethyl)cyclohexanecarboxylic acid 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003002	8-Azabicyclo[3.2.1]octane-2,6-diol, N-Me 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003003	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003004	Homostachydrine 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003005	Octahydro-1,2-indolizinediol 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+MJ003006	Oxanamide 	C8H15NO2	157.110278	NA	MeJP	NA	NA
+C08283	Homostachydrine	C8H15NO2	157.1103	NA	KEGG	NA	NA
+C10155	Lentiginosine	C8H15NO2	157.1103	NA	KEGG	NA	NA
+C07674	Buformin	C6H15N5	157.1327	NA	KEGG	NA	NA
+MJ003007	1-Butylbiguanide 	C6H15N5	157.132745	NA	MeJP	NA	NA
+MJ003008	2-(2-Hydroxybutyl)piperidine 	C9H19NO	157.146664	NA	MeJP	NA	NA
+MJ003009	2-(2-Hydroxypropyl)-6-methylpiperidine 	C9H19NO	157.146664	NA	MeJP	NA	NA
+MJ003010	4-Hydroxy-2-methyl-6-propylpiperidine 	C9H19NO	157.146664	NA	MeJP	NA	NA
+MJ003011	6-Propyl-3-piperidinol, N-Me 	C9H19NO	157.146664	NA	MeJP	NA	NA
+MJ003012	4-Propyl-4-heptylamine 	C10H23N	157.183049	NA	MeJP	NA	NA
+3541	ACE inhibitor	LSP	157.584	MH2+	Inhouse_peptide	NA	peptide
+8318	Dvl protein binding	VVV	157.602	MH2+	Inhouse_peptide	NA	peptide
+HMDB00651	Decanoylcarnitine	C17H33NO4	157.6204835	MH2+	Inhouse_peptide	NA	peptide
+MJ003013	Strontium chloride (SrCl2) 	Cl2Sr	157.843319	NA	MeJP	NA	NA
+MJ003014	Potassium permanganate 	KMnO4	157.881414	NA	MeJP	NA	NA
+MJ003015	Tin fluoride (SnF2) 	F2Sn	157.899002	NA	MeJP	NA	NA
+MJ003016	Sodium thiosulfate 	Na2O3S2	157.908424	NA	MeJP	NA	NA
+MJ003017	2-Bromo-1-chloroethanol 	C2H4BrClO	157.913405	NA	MeJP	NA	NA
+MJ003018	Dimethyl tetrasulfide 	C2H6S4	157.935232	NA	MeJP	NA	NA
+MetaCyc01123	benzenesulfonate [benzenesulfonic acid;BS;]	C6H6O3S1	158.003765	NA	metacyc	NA	NA
+MJ003019	2-Chloro-5-methyl-1,3-benzenediol 	C7H7ClO2	158.013457	NA	MeJP	NA	NA
+MJ003020	4-Chloro-5-methyl-1,3-benzenediol 	C7H7ClO2	158.013457	NA	MeJP	NA	NA
+C03591	5-Chloro-3-methylcatechol	C7H7ClO2	158.0135	NA	KEGG	NA	NA
+MJ003021	2-(Aminomethyl)-4-thiazolecarboxylic acid 	C5H6N2O2S	158.014998	NA	MeJP	NA	NA
+MJ003022	5-(Mercaptomethyl)-2,4(1H,3H)-pyrimidinedione 	C5H6N2O2S	158.014998	NA	MeJP	NA	NA
+C02222	2-Maleylacetate	C6H6O5	158.0215	NA	KEGG	NA	NA
+C02501	2-Hydroxymuconate	C6H6O5	158.0215	NA	KEGG	NA	NA
+C03453	(Z)-5-Oxohex-2-enedioate	C6H6O5	158.0215	NA	KEGG	NA	NA
+C03454	1-Alkenyl-2-acylglycerol	C6H8O4R2	158.0215	NA	KEGG	NA	NA
+C03676	3-Hydroxy-cis,cis-muconate	C6H6O5	158.0215	NA	KEGG	NA	NA
+C06035	4-Methylene-2-oxoglutarate	C6H6O5	158.0215	NA	KEGG	NA	NA
+C06036	Trigalactosyl-diacylglycerol	C23H36O20R2	158.0215	NA	KEGG	NA	NA
+C06037	Digalactosyl-diacylglycerol	C17H26O15R2	158.0215	NA	KEGG	NA	NA
+C06038	Acyl1-monogalactosyl-diacylglycerol	C12H15O11R3	158.0215	NA	KEGG	NA	NA
+C06040	Diglucosyl-diacylglycerol	C17H26O15R2	158.0215	NA	KEGG	NA	NA
+C06041	Glycerophosphoglycoglycerolipid	C20H33O20PR2	158.0215	NA	KEGG	NA	NA
+C06042	Lipoteichoic acid	C92H201O140P25R2	158.0215	NA	KEGG	NA	NA
+C06043	D-Alanyl-lipoteichoic acid	C167H326N25O165P25R2	158.0215	NA	KEGG	NA	NA
+MJ003023	3-Hydroxy-cis,cis-muconate 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003024	(Z)-5-Oxohex-2-enedioate 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003025	2-Hydroxymuconate 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003026	2-Maleylacetate 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003027	4-Carboxy-2-oxo-4-pentanoate 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003028	4-Methylene-2-oxoglutarate 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003029	2-Methylene-4-oxopentanedioic acid 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003030	2-Oxo-4-methylenepentanedioic acid 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003031	3,5-Dihydroxy-2-hydroxymethyl-4H-pyran-4-one 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MJ003032	Zymonic acid 	C6H6O5	158.021523	NA	MeJP	NA	NA
+MetaCyc01124	4-oxohex-2-enedioate [2-maleylacetate;maleylacetate;]	C6H6O5	158.021523	NA	metacyc	NA	NA
+MetaCyc01125	maleylacetate [2-maleyacetate;]	C6H6O5	158.021523	NA	metacyc	NA	NA
+MetaCyc01126	2-oxo-4-carboxypent-4-enoate []	C6H6O5	158.021523	NA	metacyc	NA	NA
+MetaCyc01127	2-maleylacetate []	C6H6O5	158.021523	NA	metacyc	NA	NA
+MetaCyc01128	4-oxalocrotonate [&gamma;-oxalocrotonate;(Z)-5-oxohex-2-enedioate;]	C6H6O5	158.021523	NA	metacyc	NA	NA
+MetaCyc01129	3-HYDROXY-CIS,CIS-MUCONATE []	C6H6O5	158.021523	NA	metacyc	NA	NA
+MetaCyc01130	2-hydroxymuconate []	C6H6O5	158.021523	NA	metacyc	NA	NA
+MJ003033	Ibotenic acid 	C5H6N2O4	158.032756	NA	MeJP	NA	NA
+MJ003034	Muscazone 	C5H6N2O4	158.032756	NA	MeJP	NA	NA
+MJ003035	(S)-Dihydroorotate 	C5H6N2O4	158.032756	NA	MeJP	NA	NA
+MetaCyc01131	dihydroorotate [4,5-dihydroorotate;4,5-dihydroorotic acid;hydroorotic acid;(S)-dihydroorotate;di-H-orotate;L-dihydroorotate;5,6-dihydroorotate;L-4,5-dihydroorotate;4-pyrimidinecarboxylic acid;hexahydro-2,6-dioxo-;]	C5H6N2O4	158.032757	155-54-4	metacyc	NA	NA
+MetaCyc01132	L-5-carboxymethylhydantoin []	C5H6N2O4	158.032757	5427-26-9	metacyc	NA	NA
+HMDB00528	4,5-Dihydroorotic acid	C5H6N2O4	158.03276	http://www.hmdb.ca/metabolites/HMDB00528	HMDB	NA	NA
+HMDB03349	(S)-Dihydroorotate	C5H6N2O4	158.03276	http://www.hmdb.ca/metabolites/HMDB03349	HMDB	NA	NA
+HMDB00528	4,5-Dihydroorotic acid	C5H6N2O4	158.03276	HMDB00528	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03349	(S)-Dihydroorotate	C5H6N2O4	158.03276	HMDB03349	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00528	4,5-Dihydroorotic acid	C5H6N2O4	158.032761	NA	HMDB2010	NA	NA
+HMDB03349	L-Dihydroorotic acid	C5H6N2O4	158.032761	NA	HMDB2010	NA	NA
+C00337	(S)-Dihydroorotate	C5H6N2O4	158.0328	NA	KEGG	NA	NA
+C00338	Lipopolysaccharide	C5H6N2O4	158.0328	NA	KEGG	NA	NA
+C00339	Long-chain alcohol	CH3OR	158.0328	NA	KEGG	NA	NA
+C00340	Reduced rubredoxin	CH3OR	158.0328	NA	KEGG	NA	NA
+C03703	L-5-Carboxymethylhydantoin	C5H6N2O4	158.0328	NA	KEGG	NA	NA
+C03706	Lysosomal-enzyme D-mannose	C6H11O6R	158.0328	NA	KEGG	NA	NA
+C03707	Monoterpenol acetate ester	C2H3O2R	158.0328	NA	KEGG	NA	NA
+C03708	N-Acetyl-O-acetylneuraminate	C2H3O2R	158.0328	NA	KEGG	NA	NA
+C10600	Ibotenic acid	C5H6N2O4	158.0328	NA	KEGG	NA	NA
+CJneg0169	Erithrol (and isomers) [(M+Cl)]-	C4H10ClO4	158.035125	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0169	Erithrol (and isomers) [(M+Cl)]-	C4H10ClO4	158.035125	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003036	1-Decene-4,6,8-triyn-3-one; 1?,2?-Epoxide 	C10H6O2	158.036779	NA	MeJP	NA	NA
+MJ003037	10-Hydroxy-8-decene-2,4,6-triynal 	C10H6O2	158.036779	NA	MeJP	NA	NA
+MJ003038	2-Decene-4,6,8-triynoic acid 	C10H6O2	158.036779	NA	MeJP	NA	NA
+MJ003039	2-Nonene-4,6,8-triynoic acid, Me ester 	C10H6O2	158.036779	NA	MeJP	NA	NA
+MJ003040	5-(2,4-Hexadiynylidene)-2(5H)-furanone 	C10H6O2	158.036779	NA	MeJP	NA	NA
+MetaCyc01133	1,2-naphthoquinone []	C10H6O2	158.036779	NA	metacyc	NA	NA
+C02617	1,4-Naphthoquinone	C10H6O2	158.0368	NA	KEGG	NA	NA
+C14783	1,2-Naphthoquinone	C10H6O2	158.0368	NA	KEGG	NA	NA
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	PFEM_hmdb_metabocards_urine	NA	urine
+JH050	Allantoin [M+H]+	C4H6N4O3	158.0423	1.37	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH050	Allantoin [M+H]+	C4H6N4O3	158.0423	1.37	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH050	Allantoin [M+H]+	C4H6N4O3	158.0423	1.37	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	HMDB	NA	NA
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	Inhouse_PFEM	NA	NA
+JH050	Allantoin [M+H]+	C4H6N4O3	158.0423	1.37	Inhousejuil11	NA	NA
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	PFEM_hmdb_metabocards_blood	NA	blood
+JH050	Allantoin	C4H6N4O3	158.0423	Rtobs1.37	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00462	Allantoin	C4H6N4O3	158.04399	http://www.hmdb.ca/metabolites/HMDB00462	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00462	Allantoin	C4H6N4O3	158.04399	http://www.hmdb.ca/metabolites/HMDB00462	HMDB	NA	NA
+MJ003041	Allantoin 	C4H6N4O3	158.04399	NA	MeJP	NA	NA
+MJ003042	(R)(-)-Allantoin 	C4H6N4O3	158.04399	NA	MeJP	NA	NA
+MJ003043	(S)(+)-Allantoin 	C4H6N4O3	158.04399	NA	MeJP	NA	NA
+MetaCyc01134	(S)(+)-allantoin []	C4H6N4O3	158.04399	NA	metacyc	NA	NA
+MetaCyc01135	(R)(-)-allantoin []	C4H6N4O3	158.04399	NA	metacyc	NA	NA
+MetaCyc01136	allantoin []	C4H6N4O3	158.04399	97-59-6	metacyc	NA	NA
+HMDB00462	Allantoin	C4H6N4O3	158.04399	http://www.hmdb.ca/metabolites/HMDB00462	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00462	Allantoin	C4H6N4O3	158.04399	HMDB00462	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00462	Allantoin	C4H6N4O3	158.043991	NA	HMDB2010	NA	NA
+C01551	Allantoin	C4H6N4O3	158.044	NA	KEGG	NA	NA
+C02348	(R)(-)-Allantoin	C4H6N4O3	158.044	NA	KEGG	NA	NA
+C02350	(S)(+)-Allantoin	C4H6N4O3	158.044	NA	KEGG	NA	NA
+C02631	2-Isopropylmaleate	C7H10O4	158.0579	NA	KEGG	NA	NA
+C04670	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate	C7H10O4	158.0579	NA	KEGG	NA	NA
+C04815	5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one	C7H10O4	158.0579	NA	KEGG	NA	NA
+C04816	Dephospho-[[hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]	C7H10O4	158.0579	NA	KEGG	NA	NA
+C04817	Protein alpha-D-glucosyl-1,2-beta-D-galactosyl-L-hydroxylysine	C19H33N3O13R2	158.0579	NA	KEGG	NA	NA
+C04818	beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide	C14H24NO11R	158.0579	NA	KEGG	NA	NA
+C05126	Dimethyl citraconate	C7H10O4	158.0579	NA	KEGG	NA	NA
+HMDB00635	Succinylacetone	C7H10O4	158.057907	NA	HMDB2010	NA	NA
+HMDB12241	Isopropylmaleate	C7H10O4	158.057907	NA	HMDB2010	NA	NA
+MJ003044	2-Isopropylmaleate 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003045	2,5,6-Trihydroxy-3-methyl-2-cyclohexen-1-one 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003046	2-Ethyl-3-methyl-2-butenedioic acid 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003047	3,4,6-Trihydroxy-2-methyl-2-cyclohexen-1-one 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003048	4,5,6-Trihydroxy-2-methyl-2-cyclohexen-1-one 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003049	4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-one, 1'-Deoxy 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003050	4,5-Dihydroxy-4-(1-hydroxyethyl)-2-cyclopenten-1-one 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MJ003051	Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone, 1'-Ketone 	C7H10O4	158.057908	NA	MeJP	NA	NA
+MetaCyc01137	5-D-(5/6)-5-C-(hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one []	C7H10O4	158.057909	NA	metacyc	NA	NA
+MetaCyc01138	dimethyl-citraconate []	C7H10O4	158.057909	617-54-9	metacyc	NA	NA
+MetaCyc01139	(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate []	C7H10O4	158.057909	NA	metacyc	NA	NA
+HMDB00635	Succinylacetone	C7H10O4	158.05791	http://www.hmdb.ca/metabolites/HMDB00635	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00555	3-Methyladipic acid	C7H10O4	158.05791	http://www.hmdb.ca/metabolites/HMDB00555	HMDB	NA	NA
+HMDB00635	Succinylacetone	C7H10O4	158.05791	http://www.hmdb.ca/metabolites/HMDB00635	HMDB	NA	NA
+HMDB00635	Succinylacetone	C7H10O4	158.05791	http://www.hmdb.ca/metabolites/HMDB00635	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00555	3-Methyladipic acid	C7H10O4	158.05791	HMDB00555	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00635	Succinylacetone	C7H10O4	158.05791	HMDB00635	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0170	2-isopropylmalic acid [(M-H)-(H2O)]-	C7H9O4	158.058425	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0170	2-isopropylmalic acid [(M-H)-(H2O)]-	C7H9O4	158.058425	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH086	Citrulline (L-) [M+H-NH3]+	NA	158.0674	1.22	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH086	Citrulline (L-) [M+H-NH3]+	NA	158.0674	1.22	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH086	Citrulline (L-) [M+H-NH3]+	NA	158.0674	1.22	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH086	Citrulline (L-) [M+H-NH3]+	NA	158.0674	1.22	Inhousejuil11	NA	NA
+C01109	4-Methylene-L-glutamine	C6H10N2O3	158.0691	NA	KEGG	NA	NA
+C16432	5-Hydroxyectoine	C6H10N2O3	158.0691	NA	KEGG	NA	NA
+MJ003052	1,4,5,6-Tetrahydro-5-hydroxy-2-methyl-4(6)-pyrimidinecarboxylic acid 	C6H10N2O3	158.069142	NA	MeJP	NA	NA
+MJ003053	2-Amino-4-methylenepentanedioic acid, ?-Amide 	C6H10N2O3	158.069142	NA	MeJP	NA	NA
+MJ003054	Oxiracetam 	C6H10N2O3	158.069142	NA	MeJP	NA	NA
+MJ003055	Pyrostatin A 	C6H10N2O3	158.069142	NA	MeJP	NA	NA
+MJ003056	4-Methylene-L-glutamine 	C6H10N2O3	158.069142	NA	MeJP	NA	NA
+MetaCyc01140	4-methylene-L-glutamine []	C6H10N2O3	158.069142	NA	metacyc	NA	NA
+C02909	(2-Naphthyl)methanol	C11H10O	158.0732	NA	KEGG	NA	NA
+C14089	1-Hydroxymethylnaphthalene	C11H10O	158.0732	NA	KEGG	NA	NA
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR386	Oestradiol F3	NA	158.073975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR386	Oestradiol F3	NA	158.073975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR386	Oestradiol F3	NA	158.073975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR386	Oestradiol F3	NA	158.073975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR386	Oestradiol F3	F3	158.073975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0340	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ (13C)	C613CH12NO3	158.076675	C18rt(min)=5.1 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0341	3-Methylcrotonylglycine [(M+H)]+ (13C)	C613CH12NO3	158.076675	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0342	Tiglylglycine [(M+H)]+ (13C)	C613CH12NO3	158.076675	C18rt(min)=5.1 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0340	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)-(HCOOH)]+ (13C)	C613CH12NO3	158.076675	C18rt(min)=5.1 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0341	3-Methylcrotonylglycine [(M+H)]+ (13C)	C613CH12NO3	158.076675	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0342	Tiglylglycine [(M+H)]+ (13C)	C613CH12NO3	158.076675	C18rt(min)=5.1 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0171	Tiglylglycine [(M-H)]- (13C)	C613CH10NO3	158.077825	C18rt(min)=5.1 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0171	Tiglylglycine [(M-H)]- (13C)	C613CH10NO3	158.077825	C18rt(min)=5.1 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003057	1-Methyl-4(1H)-quinolinone; Imine 	C10H10N2	158.084398	NA	MeJP	NA	NA
+MJ003058	2,4-Dimethylquinazoline 	C10H10N2	158.084398	NA	MeJP	NA	NA
+MJ003059	3-(2-Pyrrolyl)pyridine; N-Me 	C10H10N2	158.084398	NA	MeJP	NA	NA
+MJ003060	Imidazole; N-Benzyl 	C10H10N2	158.084398	NA	MeJP	NA	NA
+C10161	Nicotyrine	C10H10N2	158.0844	NA	KEGG	NA	NA
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR362	Tryptophan F3	NA	158.084475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR362	Tryptophan F3	NA	158.084475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR362	Tryptophan F3	NA	158.084475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR362	Tryptophan F3	NA	158.084475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR362	Tryptophan F3	F3	158.084475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00451	cis-4-Hydroxycyclohexylacetic acid	C8H14O3	158.09428	http://www.hmdb.ca/metabolites/HMDB00451	HMDB	NA	NA
+HMDB00909	trans-4-Hydroxycyclohexylacetic acid	C8H14O3	158.09428	http://www.hmdb.ca/metabolites/HMDB00909	HMDB	NA	NA
+HMDB00451	cis-4-Hydroxycyclohexylacetic acid	C8H14O3	158.09428	HMDB00451	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00909	trans-4-Hydroxycyclohexylacetic acid	C8H14O3	158.09428	HMDB00909	PFEM_hmdb_metabocards_official	NA	NA
+MJ003061	2-Oxooctanoic acid 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003062	4-Hydroxy-4-(2-hydroxyethyl)cyclohexanone 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003063	5-Hydroxy-4-methyl-2-heptenoic acid 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003064	6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003065	Cephalosporolide D 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003066	Hexahydro-3a,6(4H)-benzofurandiol 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003067	Rengyoxide 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MJ003068	Tetrahydro-6-methyl-2H-pyran-2-acetic acid 	C8H14O3	158.094294	NA	MeJP	NA	NA
+MetaCyc01141	ethyl-3-oxohexanoate []	C8H14O3	158.094294	3249-68-1	metacyc	NA	NA
+HMDB00451	cis-4-Hydroxycyclohexylacetic acid	C8H14O3	158.094299	NA	HMDB2010	NA	NA
+HMDB00909	trans-4-Hydroxycyclohexylacetic acid	C8H14O3	158.094299	NA	HMDB2010	NA	NA
+HMDB10721	3-Oxooctanoic acid	C8H14O3	158.094299	NA	HMDB2010	NA	NA
+HMDB13211	alpha-Ketooctanoic acid	C8H14O3	158.094299	NA	HMDB2010	NA	NA
+C02975	Ethyl 3-oxohexanoate	C8H14O3	158.0943	NA	KEGG	NA	NA
+C16652	3-Oxovalproic acid	C8H14O3	158.0943	NA	KEGG	NA	NA
+C16655	2-n-Propyl-4-oxopentanoic acid	C8H14O3	158.0943	NA	KEGG	NA	NA
+MJ003069	3,4-Heptanedione; Dioxime 	C7H14N2O2	158.105527	NA	MeJP	NA	NA
+MJ003070	1,4-Dimethylazulene; 3,3a-Dihydro 	C12H14	158.10955	NA	MeJP	NA	NA
+HMDB00798	Oenanthic ether	C9H18O2	158.130676	NA	HMDB2010	NA	NA
+HMDB00847	Pelargonic acid	C9H18O2	158.130676	NA	HMDB2010	NA	NA
+MJ003071	1-Heptanol; Ac 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003072	1-Hydroxy-5-nonanone 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003073	2-Ethylheptanoic acid 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003074	3-Ethyl-4-methylpentanoic acid, Me ester 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003075	3-Methyl-1-butanol; Butanoyl 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003076	6-Methyloctanoic acid 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003077	9-Hydroxy-4-nonanone 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003078	Hexanoic acid; Isopropyl ester 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003079	Nonanoic acid 	C9H18O2	158.130679	NA	MeJP	NA	NA
+MJ003080	Octanoic acid; Me ester 	C9H18O2	158.130679	NA	MeJP	NA	NA
+HMDB00798	Oenanthic ether	C9H18O2	158.13068	http://www.hmdb.ca/metabolites/HMDB00798	HMDB	NA	NA
+HMDB00847	Pelargonic acid	C9H18O2	158.13068	http://www.hmdb.ca/metabolites/HMDB00847	HMDB	NA	NA
+HMDB00798	Oenanthic ether	C9H18O2	158.13068	HMDB00798	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00847	Pelargonic acid	C9H18O2	158.13068	HMDB00847	PFEM_hmdb_metabocards_official	NA	NA
+C01601	Nonanoic acid	C9H18O2	158.1307	NA	KEGG	NA	NA
+MJ003081	1-Decanol 	C10H22O	158.167065	NA	MeJP	NA	NA
+MJ003082	3,7-Dimethyl-1-octanol 	C10H22O	158.167065	NA	MeJP	NA	NA
+MJ003083	4-Methyl-1-nonanol 	C10H22O	158.167065	NA	MeJP	NA	NA
+MJ003084	4-Methyl-5-nonanol 	C10H22O	158.167065	NA	MeJP	NA	NA
+HMDB11624	Decyl alcohol	C10H22O	158.167068	NA	HMDB2010	NA	NA
+C01633	1-Decanol	C10H22O	158.1671	NA	KEGG	NA	NA
+C01635	tRNA(Ala)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01636	tRNA(Arg)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01637	tRNA(Asn)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01638	tRNA(Asp)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01639	tRNA(Cys)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01640	tRNA(Gln)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01641	tRNA(Glu)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01642	tRNA(Gly)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01643	tRNA(His)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01644	tRNA(Ile)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01645	tRNA(Leu)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01646	tRNA(Lys)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01647	tRNA(Met)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01648	tRNA(Phe)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01649	tRNA(Pro)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01650	tRNA(Ser)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01651	tRNA(Thr)	C10H17O10PR2	158.1671	NA	KEGG	NA	NA
+C01652	tRNA(Trp)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01653	tRNA(Val)	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+C01654	1,6-Mannan	C15H21N5O10PR	158.1671	NA	KEGG	NA	NA
+3389	ACE inhibitor from alphas1-CN	LW	158.5815	MH2+	Inhouse_peptide	NA	peptide
+7544	ACE inhibitor	IW	158.5815	MH2+	Inhouse_peptide	NA	peptide
+MJ003085	Copper(II) sulfate 	CuO4S	158.88133	NA	MeJP	NA	NA
+MetaCyc01142	CuSO4 [Cupric Sulfate;Copper Sulfate;]	O4S1CU1	158.88133	NA	metacyc	NA	NA
+MJ003086	4-Isothiocyanato-1-(methylthio)-1-butene 	C6H9NS2	159.01764	NA	MeJP	NA	NA
+MJ003087	Raphanusanin 	C6H9NS2	159.01764	NA	MeJP	NA	NA
+MJ003088	4-(2,5-Dioxo-4-imidazolidinyl)carbamic acid 	C4H5N3O4	159.028005	NA	MeJP	NA	NA
+CJpos0343	Trigonelline (and isomer) [(M+Na)]+	C7H7NNaO2	159.029075	C18rt(min)=0.93 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0343	Trigonelline (and isomer) [(M+Na)]+	C7H7NNaO2	159.029075	C18rt(min)=0.93 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH142	Xanthurenic acid [M+H-HCOOH]+	NA	159.0315	12.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH142	Xanthurenic acid [M+H-HCOOH]+	NA	159.0315	12.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH142	Xanthurenic acid [M+H-HCOOH]+	NA	159.0315	12.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH142	Xanthurenic acid [M+H-HCOOH]+	NA	159.0315	12.46	Inhousejuil11	NA	NA
+MJ003089	4-Isothiocyanatobutanoic acid; Me ester 	C6H9NO2S	159.035399	NA	MeJP	NA	NA
+CJneg0172	Erithrol (and isomers) [(M+Cl)]- (13C)	C313CH10ClO4	159.038525	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0172	Erithrol (and isomers) [(M+Cl)]- (13C)	C313CH10ClO4	159.038525	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003090	1,4,5-Trihydroxy-2-cyclopentene-1-carboxamide 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MJ003091	1-Amino-1,3-cyclobutanedicarboxylic acid 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MJ003092	2,4-Pyrrolidinedicarboxylic acid 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MJ003093	2-Amino-4-methylenepentanedioic acid 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MJ003094	4-Amino-2,3,4-trideoxy-erythro-hex-2-enuronic acid 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MJ003095	?-Amino-2-carboxycyclopropaneacetic acid 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MJ003096	?-Amino-2-carboxycyclopropaneacetic acid 	C6H9NO4	159.053157	NA	MeJP	NA	NA
+MetaCyc01143	N-Methyl-2-oxoglutaramate []	C6H9N1O4	159.053158	NA	metacyc	NA	NA
+MetaCyc01144	&beta;-alanopine []	C6H9N1O4	159.053158	NA	metacyc	NA	NA
+MetaCyc01145	2,2'-iminodipropanoate [Alanopine;]	C6H9N1O4	159.053158	NA	metacyc	NA	NA
+C00651	4-Methylene-L-glutamate	C6H9NO4	159.0532	NA	KEGG	NA	NA
+C03623	N-Methyl-2-oxoglutaramate	C6H9NO4	159.0532	NA	KEGG	NA	NA
+3494	ACE inhibitor from sake	HY	159.0605	MH2+	Inhouse_peptide	NA	peptide
+MJ003097	Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid 	C5H9N3O3	159.064391	NA	MeJP	NA	NA
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR336	Serotonine F2	NA	159.065675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR336	Serotonine F2	NA	159.065675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR336	Serotonine F2	NA	159.065675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR336	Serotonine F2	NA	159.065675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR336	Serotonine F2	F2	159.065675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0344	Serotonin [(M+H)-(NH3)]+	C10H10NO	159.067875	C18rt(min)=4.15 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0345	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M+H)-(C2H5NO)]+	C10H10ON	159.067875	C18rt(min)=5.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0344	Serotonin [(M+H)-(NH3)]+	C10H10NO	159.067875	C18rt(min)=4.15 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0345	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M+H)-(C2H5NO)]+	C10H10ON	159.067875	C18rt(min)=5.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00637	Indole-3-acetaldehyde	C10H9NO	159.0684	NA	KEGG	NA	NA
+C00638	Long-chain fatty acid	C3H5O2R	159.0684	NA	KEGG	NA	NA
+C06345	3-Methyl-quinolin-2-ol	C10H9NO	159.0684	NA	KEGG	NA	NA
+C10663	Echinopsine	C10H9NO	159.0684	NA	KEGG	NA	NA
+C14789	N-Hydroxy-1-aminonaphthalene	C10H9NO	159.0684	NA	KEGG	NA	NA
+HMDB01190	Indoleacetaldehyde	C10H9NO	159.06841	http://www.hmdb.ca/metabolites/HMDB01190	HMDB	NA	NA
+HMDB01190	Indoleacetaldehyde	C10H9NO	159.06841	HMDB01190	PFEM_hmdb_metabocards_official	NA	NA
+MJ003098	Indole-3-acetaldehyde 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003099	1-Methyl-4(1H)-quinolinone 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003100	1H-Indole-3-acetaldehyde 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003101	2(1H)-Quinolinone; NH-form, N-Me 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003102	2-(Aminomethylene)-1-indanone 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003103	3-Ethylidene-1,3-dihydro-2H-indol-2-one 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003104	3-Oxiranyl-1H-indole 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003105	4-Hydroxymethylquinoline 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003106	8-Hydroxy-5-methylquinoline 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MJ003107	Pediculidine 	C10H9NO	159.068413	NA	MeJP	NA	NA
+MetaCyc01146	indole acetaldehyde [indole-3-acetaldehyde;2-(indol-3-yl)acetaldehyde;]	C10H9N1O1	159.068414	2591-98-2	metacyc	NA	NA
+MetaCyc01147	3-methyl-2-oxo-1,2-dihydroquinoline [3-methylhydroquinolin-2-one;3-methyl-2-quinolinone;2-hydroxy-3-methylquinoline;3-methylcarbostyril;]	C10H9N1O1	159.068414	2721-59-7	metacyc	NA	NA
+HMDB01190	Indoleacetaldehyde	C10H9NO	159.06842	NA	HMDB2010	NA	NA
+CJpos0346	Methyl (hydroxymethyl)pyrrolidine-carboxylate Methyl (hydroxy)piperidine-carboxylate [(M+H)]+	C7H14NO3	159.088975	C18rt(min)=4.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0347	Isovalerylglycine [(M+H)]+	C7H14NO3	159.088975	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0348	Valerylglycine isomer [(M+H)]+	C7H14NO3	159.088975	C18rt(min)=5.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0346	Methyl (hydroxymethyl)pyrrolidine-carboxylate § Methyl (hydroxy)piperidine-carboxylate [(M+H)]+	C7H14NO3	159.088975	C18rt(min)=4.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0347	Isovalerylglycine [(M+H)]+	C7H14NO3	159.088975	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0348	Valerylglycine isomer [(M+H)]+	C7H14NO3	159.088975	C18rt(min)=5.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03087	5-Acetamidopentanoate	C7H13NO3	159.0895	NA	KEGG	NA	NA
+C08269	(-)-Betonicine	C7H13NO3	159.0895	NA	KEGG	NA	NA
+C10151	3-Hydroxystachydrine	C7H13NO3	159.0895	NA	KEGG	NA	NA
+C10850	Calystegin A3	C7H13NO3	159.0895	NA	KEGG	NA	NA
+HMDB00339	2-Methylbutyrylglycine	C7H13NO3	159.089539	NA	HMDB2010	NA	NA
+HMDB00678	Isovalerylglycine	C7H13NO3	159.089539	NA	HMDB2010	NA	NA
+HMDB00927	Valerylglycine	C7H13NO3	159.089539	NA	HMDB2010	NA	NA
+HMDB11757	N-Acetylvaline	C7H13NO3	159.089539	NA	HMDB2010	NA	NA
+HMDB12154	3-Dehydrocarnitine	C7H13NO3	159.089539	NA	HMDB2010	NA	NA
+HMDB12175	5-Acetamidovalerate	C7H13NO3	159.089539	NA	HMDB2010	NA	NA
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00678	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00678	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00678	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00678	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00339	2-Methylbutyrylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00339	HMDB	NA	NA
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00678	HMDB	NA	NA
+HMDB00927	Valerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00927	HMDB	NA	NA
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	NA  ;SYN:2-Amino-2-methylpropanoate; 2-Amino-2-methylpropanoic acid; 2-Aminoisobutyrate; 2-Aminoisobutyric acid; 2-Methylalanine; AIB; a-Aminoisobutanoate; a-Aminoisobutanoic acid; a-Aminoisobutyrate; a-Aminoisobutyric acid; a-Methylalanine; alpha-Aminoisobutanoate; alpha-Aminoisobutanoic acid; alpha-Aminoisobutyrate; alpha-Aminoisobutyric acid; alpha-MethylalanineH2Blood	Inhouse_peptide	NA	peptide
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	http://www.hmdb.ca/metabolites/HMDB00678	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00339	2-Methylbutyrylglycine	C7H13NO3	159.08954	HMDB00339	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00678	Isovalerylglycine	C7H13NO3	159.08954	HMDB00678	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00927	Valerylglycine	C7H13NO3	159.08954	HMDB00927	PFEM_hmdb_metabocards_official	NA	NA
+MJ003108	2-Amino-6-hydroxy-4-methyl-4-hexenoic acid 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003109	2-Amino-6-hydroxy-5-methyl-4-hexenoic acid 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003110	2-Azetidinecarboxylic acid, N-(3-Hydroxypropyl) 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003111	3-Hydroxystachydrine 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003112	4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003113	4-Hydroxy-2-piperidinecarboxylic acid, Me ether 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003114	4-Hydroxy-2-piperidinecarboxylic acid, N-Me 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003115	4-Hydroxy-2-pyrrolidinecarboxylic acid, Me ether, N-Me 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003116	4-Hydroxy-3-pyrrolidinecarboxylic acid, N,N-Di-Me, betaine 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003117	5-Hydroxy-6-methyl-2-piperidinecarboxylic acid 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003118	8-Azabicyclo[3.2.1]octane-1,2,3-triol 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003119	8-Azabicyclo[3.2.1]octane-1,2,4-triol 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003120	8-Azabicyclo[3.2.1]octane-1,2,7-triol 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003121	8-Azabicyclo[3.2.1]octane-1,3,4-triol 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MJ003122	5-Acetamidopentanoate 	C7H13NO3	159.089543	NA	MeJP	NA	NA
+MetaCyc01148	5-acetamidovalerate [5-acetamidopentanoate;]	C7H13N1O3	159.089543	NA	metacyc	NA	NA
+MetaCyc01149	3-dehydrocarnitine [3-de-H-carnitine;]	C7H13N1O3	159.089543	10457-99-5	metacyc	NA	NA
+CJneg0173	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]-	C7H12NO3	159.090125	C18rt(min)=4.55 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0174	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]-	C7H12NO3	159.090125	C18rt(min)=5.1 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0175	Isovalerylglycine [(M-H)]-	C7H12NO3	159.090125	C18rt(min)=5.2 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0176	Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M-H)]-	C7H12NO3	159.090125	C18rt(min)=4.6 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0173	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]-	C7H12NO3	159.090125	C18rt(min)=4.55 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0174	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]-	C7H12NO3	159.090125	C18rt(min)=5.1 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0175	Isovalerylglycine [(M-H)]-	C7H12NO3	159.090125	C18rt(min)=5.2 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0176	Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M-H)]-	C7H12NO3	159.090125	C18rt(min)=4.6 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C13688	delta-Guanidinovaleric acid	C6H13N3O2	159.1008	NA	KEGG	NA	NA
+MJ003123	Pargyline 	C11H13N	159.104799	NA	MeJP	NA	NA
+C07414	Pargyline	C11H13N	159.1048	NA	KEGG	NA	NA
+MJ003124	2-Amino-6-methylheptanoic acid 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003125	2-Methoxy-N-(3-methylbutyl)acetamide 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003126	4-(Dimethylamino)-2,3,4,6-tetradeoxy-threo-hexose 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003127	4-Amino-2,3,4,6-tetradeoxy-erythro-hexose, N,N-Di-Me 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003128	5-Aminopentanoic acid; N,N,N-Tri-Me, betaine 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003129	Pregabalin 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003130	Valine, N-Tri-Me, betaine 	C8H17NO2	159.125928	NA	MeJP	NA	NA
+MJ003131	2-Hydroxy-N,N,N-trimethyl-1-propanaminium(1+), Ac 	C8H18NO2(+)	159.125928	NA	MeJP	NA	NA
+MJ003132	Choline; O-Propanoyl 	C8H18NO2(+)	159.125928	NA	MeJP	NA	NA
+MetaCyc01150	2-aminocaprylate [2-aminocaprylic acid;&alpha;-aminocaprylic acid;2-aminooctanoic acid;]	C8H17N1O2	159.125929	644-90-6	metacyc	NA	NA
+HMDB00991	DL-2-Aminooctanoic acid	C8H17NO2	159.12593	http://www.hmdb.ca/metabolites/HMDB00991	HMDB	NA	NA
+HMDB00991	DL-2-Aminooctanoic acid	C8H17NO2	159.12593	HMDB00991	PFEM_hmdb_metabocards_official	NA	NA
+LABER081	2-amino-octanoic	NA	159.125931	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER081	2-amino-octanoic	NA	159.125931	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER081	2-amino-octanoic	NA	159.125931	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER081	2-amino-octanoic	NA	159.125931	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER081	2-amino-octanoic	NA	159.125931	NA	HMDB	NA	NA
+HMDB00991	DL-2-Aminooctanoic acid	C8H17NO2	159.125931	NA	HMDB2010	NA	NA
+LABER081	2-amino-octanoic	NA	159.125931	NA	Inhouse_PFEM	NA	NA
+LABER081	2-amino-octanoic	NA	159.125931	NA	Inhousejuil11	NA	NA
+LABER081	2-amino-octanoic	NA	159.125931	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER081	2-amino-octanoic	NA	159.125931	NA	PFEM_hmdb_metabocards_official	NA	NA
+MJ003133	1-Amino-2-propanol, Et ether, N,N-di-Et 	C9H21NO	159.162314	NA	MeJP	NA	NA
+C06366	Homospermidine	C8H21N3	159.1735	NA	KEGG	NA	NA
+C16565	Aminopropylcadaverine	C8H21N3	159.1735	NA	KEGG	NA	NA
+MJ003134	4,4'-Diaminodibutylamine 	C8H21N3	159.173547	NA	MeJP	NA	NA
+MJ003135	Spermidine; N'-Me 	C8H21N3	159.173547	NA	MeJP	NA	NA
+MetaCyc01151	sym-homospermidine []	C8H21N3	159.173548	NA	metacyc	NA	NA
+HMDB12189	Aminopropylcadaverine	C8H21N3	159.173553	NA	HMDB2010	NA	NA
+MJ003136	Zinc sulfate 	O4SZn	159.880875	NA	MeJP	NA	NA
+C02677	Dimethyl telluride	C2H6Te	159.9532	NA	KEGG	NA	NA
+JH008	Benzoic acid [M+K]+	NA	159.9832	14.38	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH008	Benzoic acid [M+K]+	NA	159.9832	14.38	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH008	Benzoic acid [M+K]+	NA	159.9832	14.38	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH008	Benzoic acid [M+K]+	NA	159.9832	14.38	Inhousejuil11	NA	NA
+MetaCyc01152	methyl-acetylphosphonate [phosphonic acid, acetyl-, monomethyl ester, monosodium salt;]	C3H6O4NA1P1	159.99014	NA	metacyc	NA	NA
+C06328	6-Chlorobenzene-1,2,4-triol	C6H5ClO3	159.9927	NA	KEGG	NA	NA
+C07102	5-Chloro-1,2,4-trihydroxybenzene	C6H5ClO3	159.9927	NA	KEGG	NA	NA
+MJ003137	5-Chloro-1,2,4-trihydroxybenzene 	C6H5ClO3	159.992721	NA	MeJP	NA	NA
+MJ003138	6-Chlorobenzene-1,2,4-triol 	C6H5ClO3	159.992721	NA	MeJP	NA	NA
+MJ003139	2-Chloro-1,3,5-benzenetriol 	C6H5ClO3	159.992721	NA	MeJP	NA	NA
+MetaCyc01153	6-chlorohydroxyquinol [6-chloro-1,2,4-trihydroxybenzene;6-CHQ;]	C6H5O3CL1	159.992722	NA	metacyc	NA	NA
+MJ003140	5,5-Dimethyl-2,4-imidazolidinedithione 	C5H8N2S2	160.012889	NA	MeJP	NA	NA
+C16474	3-Fluoro-cis,cis-muconate	C6H5FO4	160.0172	NA	KEGG	NA	NA
+C16475	2-Fluoro-cis,cis-muconate	C6H5FO4	160.0172	NA	KEGG	NA	NA
+C16476	4-Fluoromuconolactone	C6H5FO4	160.0172	NA	KEGG	NA	NA
+C16477	5-Fluoromuconolactone	C6H5FO4	160.0172	NA	KEGG	NA	NA
+MJ003141	Thiacremonone 	C6H8O3S	160.019414	NA	MeJP	NA	NA
+MJ003142	2-Chloro-3-(1-hydroxyethyl)-2-cyclopenten-1-one 	C7H9ClO2	160.029107	NA	MeJP	NA	NA
+CJneg0177	Erithrol (and isomers) [(M+Cl)]- (37Cl)	C4H10Cl037ClO4	160.032225	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0177	Erithrol (and isomers) [(M+Cl)]- (37Cl)	C4H10Cl037ClO4	160.032225	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00225	Oxoadipic acid	C6H8O5	160.03717	http://www.hmdb.ca/metabolites/HMDB00225	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00225	Oxoadipic acid	C6H8O5	160.03717	http://www.hmdb.ca/metabolites/HMDB00225	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00225	Oxoadipic acid	C6H8O5	160.03717	http://www.hmdb.ca/metabolites/HMDB00225	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00225	Oxoadipic acid	C6H8O5	160.03717	http://www.hmdb.ca/metabolites/HMDB00225	HMDB	NA	NA
+HMDB00398	3-Oxoadipic acid	C6H8O5	160.03717	http://www.hmdb.ca/metabolites/HMDB00398	HMDB	NA	NA
+HMDB00225	Oxoadipic acid	C6H8O5	160.03717	HMDB00225	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00398	3-Oxoadipic acid	C6H8O5	160.03717	HMDB00398	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00225	Oxoadipic acid	C6H8O5	160.03717	NA	HMDB2010	NA	NA
+HMDB00398	3-Oxoadipic acid	C6H8O5	160.03717	NA	HMDB2010	NA	NA
+MJ003143	2-(Dihydroxymethyl)-2-hydroxy-2H-pyran-3(6H)-one 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MJ003144	2-Methyl-4-oxopentanedioic acid 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MJ003145	2-Oxohexanedioic acid 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MJ003146	3,5/4-Trihydroxycyclohexa-1,2-dione 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MJ003147	D-2,3-Diketo 4-deoxy-epi-inositol 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MJ003148	2-Oxoadipate 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MJ003149	3-Oxoadipate 	C6H8O5	160.037173	NA	MeJP	NA	NA
+MetaCyc01154	&beta;-ketoadipate [3-oxoadipate;3-ketoadipate;]	C6H8O5	160.037173	NA	metacyc	NA	NA
+MetaCyc01155	&alpha;-ketoadipate [2-ketoadipate;2-oxoadipate;2-keto-adipate;2-oxohexanedionic acid;]	C6H8O5	160.037173	3184-35-8	metacyc	NA	NA
+MetaCyc01156	D-2,3-diketo-4-deoxy-epi-inositol [3,5/4-Trihydroxycyclohexa-1,2-dione;]	C6H8O5	160.037173	NA	metacyc	NA	NA
+C00322	2-Oxoadipate	C6H8O5	160.0372	NA	KEGG	NA	NA
+C00846	3-Oxoadipate	C6H8O5	160.0372	NA	KEGG	NA	NA
+C04287	3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione	C6H8O5	160.0372	NA	KEGG	NA	NA
+C06891	D-2,3-Diketo 4-deoxy-epi-inositol	C6H8O5	160.0372	NA	KEGG	NA	NA
+C16159	2-Formylglutarate	C6H8O5	160.0372	NA	KEGG	NA	NA
+C16160	Linoleoyl-[acyl-carrier protein]	C18H31OSR	160.0372	NA	KEGG	NA	NA
+C16161	alpha-Linolenoyl-ACP	C18H29OSR	160.0372	NA	KEGG	NA	NA
+CJneg0178	2-Oxoadipic acid [(M-H)]-	C6H7O5	160.037725	C18rt(min)=4.65 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0179	3-Oxoadipic acid [(M-H)]-	C6H7O5	160.037725	C18rt(min)=4.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0178	2-Oxoadipic acid [(M-H)]-	C6H7O5	160.037725	C18rt(min)=4.65 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0179	3-Oxoadipic acid [(M-H)]-	C6H7O5	160.037725	C18rt(min)=4.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03409	N-Formimino-L-aspartate	C5H8N2O4	160.0484	NA	KEGG	NA	NA
+C08298	Tricholomic acid	C5H8N2O4	160.0484	NA	KEGG	NA	NA
+MJ003150	Tricholomic acid 	C5H8N2O4	160.048406	NA	MeJP	NA	NA
+MJ003151	N-Formimino-L-aspartate 	C5H8N2O4	160.048406	NA	MeJP	NA	NA
+MetaCyc01157	N-formimino-L-aspartate [N-formimidoyl-L-aspartate;]	C5H8N2O4	160.048407	NA	metacyc	NA	NA
+C03012	Naphthalene-1,2-diol	C10H8O2	160.0524	NA	KEGG	NA	NA
+C07719	2-Formyl-1-indanone	C10H8O2	160.0524	NA	KEGG	NA	NA
+C07726	1-Formyl-2-indanone	C10H8O2	160.0524	NA	KEGG	NA	NA
+C14785	1,4-Dihydroxynaphthalene	C10H8O2	160.0524	NA	KEGG	NA	NA
+C16213	2,3-Dihydroxynaphthalene	C10H8O2	160.0524	NA	KEGG	NA	NA
+MJ003152	Naphthalene-1,2-diol 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003153	1,8-Naphthalenediol 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003154	1-Formyl-2-indanone 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003155	1-Hydroxy-4,6,8-decatriyn-3-one 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003156	10-Hydroxy-2,8-decadiene-4,6-diynal 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003157	2,8-Decadiene-4,6-diynoic acid 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003158	2-Decene-4,6,8-triyn-1-ol, 2R*,3S*-Epoxide 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003159	2-Decene-4,6,8-triyne-1,10-diol 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003160	2-Formyl-1-indanone 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003161	2-Methyl-4-benzofurancarboxaldehyde 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003162	3,4-Nonadiene-6,8-diynoic acid, Me ester 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003163	3-Methyl-4H-1-benzopyran-4-one 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003164	5-(1,2,4-Hexatrienylidene)-2(5H)-furanone 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003165	Matricarialactone 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MJ003166	Viburtinal 	C10H8O2	160.052429	NA	MeJP	NA	NA
+MetaCyc01158	naphthalene-1,2-diol [1,2-dihydroxynaphthalene;]	C10H8O2	160.05243	574-00-5	metacyc	NA	NA
+MetaCyc01159	2-formyl-1-indanone []	C10H8O2	160.05243	NA	metacyc	NA	NA
+MetaCyc01160	1-formyl-2-indanone [1-Formal-2-indanone;]	C10H8O2	160.05243	NA	metacyc	NA	NA
+8096	ACE inhibitor	AGSS	160.061	MH2+	Inhouse_peptide	NA	peptide
+MJ003167	1-Methyl-4(1H)-quinazolinone 	C9H8N2O	160.063662	NA	MeJP	NA	NA
+MJ003168	1H-Indole-3-carboxylic acid; Amide 	C9H8N2O	160.063662	NA	MeJP	NA	NA
+MJ003169	2-Hydroxy-5-methyl-1,6-naphthyridine 	C9H8N2O	160.063662	NA	MeJP	NA	NA
+MJ003170	4-Hydroxy-2-methylquinazoline 	C9H8N2O	160.063662	NA	MeJP	NA	NA
+CJpos0349	3,3-Dimethylglutaric acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=5.8 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0350	2,2-dimethylglutaric acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=6.04 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0351	2,2-dimethylglutaric acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=6.04 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0352	Pimelic acid 3-methyladipic acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=5.77 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0349	3,3-Dimethylglutaric acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=5.8 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0350	2,2-dimethylglutaric acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=6.04 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0351	2,2-dimethylglutaric acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=6.04 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0352	Pimelic acid § 3-methyladipic acid [(M+H)]+	C7H13O4	160.072975	C18rt(min)=5.77 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003171	2,3,4-Trihydroxy-6-methylcyclohexanone 	C7H12O4	160.073558	NA	MeJP	NA	NA
+MJ003172	Diethyl malonate 	C7H12O4	160.073558	NA	MeJP	NA	NA
+MJ003173	Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone 	C7H12O4	160.073558	NA	MeJP	NA	NA
+MJ003174	Heptanedioic acid 	C7H12O4	160.073558	NA	MeJP	NA	NA
+MJ003175	6-Carboxyhexanoate 	C7H12O4	160.073558	NA	MeJP	NA	NA
+MetaCyc01161	pimelate [heptanedioate;6-carboxyhexanoate;pimelic acid;]	C7H12O4	160.073559	NA	metacyc	NA	NA
+MetaCyc01162	(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate []	C7H12O4	160.073559	NA	metacyc	NA	NA
+HMDB00857	Pimelic acid	C7H12O4	160.07356	http://www.hmdb.ca/metabolites/HMDB00857	PFEM_hmdb_metabocards_urine	NA	urine
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00857	Pimelic acid	C7H12O4	160.07356	http://www.hmdb.ca/metabolites/HMDB00857	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00857	Pimelic acid	C7H12O4	160.07356	http://www.hmdb.ca/metabolites/HMDB00857	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00857	Pimelic acid	C7H12O4	160.07356	http://www.hmdb.ca/metabolites/HMDB00857	HMDB	NA	NA
+HMDB02441	3,3-Dimethylglutaric acid	C7H12O4	160.07356	http://www.hmdb.ca/metabolites/HMDB02441	HMDB	NA	NA
+EUR617	Pimelic acid 	NA	160.07356	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR617	Pimelic acid 	NA	160.07356	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00857	Pimelic acid	C7H12O4	160.07356	HMDB00857	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02441	3,3-Dimethylglutaric acid	C7H12O4	160.07356	HMDB02441	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00555	3-Methyladipic acid	C7H12O4	160.073563	NA	HMDB2010	NA	NA
+HMDB00857	Pimelic acid	C7H12O4	160.073563	NA	HMDB2010	NA	NA
+HMDB02441	3,3-Dimethylglutaric acid	C7H12O4	160.073563	NA	HMDB2010	NA	NA
+EUR617	Pimelic acid 	[M-H]-	160.0736	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR617	Pimelic acid 	[M-H]-	160.0736	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR617	Pimelic acid 	[M-H]-	160.0736	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR617	Pimelic acid 	[M-H]-	160.0736	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C02656	6-Carboxyhexanoate	C7H12O4	160.0736	NA	KEGG	NA	NA
+C04687	(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate	C7H12O4	160.0736	NA	KEGG	NA	NA
+C04688	(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]	C14H27O2SR	160.0736	NA	KEGG	NA	NA
+C16657	2-Propylsuccinic acid	C7H12O4	160.0736	NA	KEGG	NA	NA
+7590	ACE inhibitor	AA	160.074	antioxidative	Inhouse_peptide	NA	peptide
+CJneg0180	2,2-dimethylglutaric acid [(M-H)]-	C7H11O4	160.074125	C18rt(min)=6.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0181	Pimelic acid / 3-methyladipic acid [(M-H)]-	C7H11O4	160.074125	C18rt(min)=5.77 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0182	Mono-methyl-adipate [(M-H)]-	C7H11O4	160.074125	C18rt(min)=6.27 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0183	Mono-methyl-adipate isomer [(M-H)]-	C7H11O4	160.074125	C18rt(min)=4.38 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0180	2,2-dimethylglutaric acid [(M-H)]-	C7H11O4	160.074125	C18rt(min)=6.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0181	Pimelic acid / 3-methyladipic acid [(M-H)]-	C7H11O4	160.074125	C18rt(min)=5.77 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0182	Mono-methyl-adipate [(M-H)]-	C7H11O4	160.074125	C18rt(min)=6.27 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0183	Mono-methyl-adipate isomer [(M-H)]-	C7H11O4	160.074125	C18rt(min)=4.38 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003176	1-Hydrazinophthalazine 	C8H8N4	160.074896	NA	MeJP	NA	NA
+C07040	Hydralazine	C8H8N4	160.0749	NA	KEGG	NA	NA
+C07041	Transferred to D00340	C8H8N4	160.0749	NA	KEGG	NA	NA
+HMDB03459	D-Alanyl-D-alanine	C6H12N2O3	160.08479	http://www.hmdb.ca/metabolites/HMDB03459	HMDB	NA	NA
+HMDB03459	D-Alanyl-D-alanine	C6H12N2O3	160.08479	HMDB03459	PFEM_hmdb_metabocards_official	NA	NA
+MJ003177	2,4-Diaminobutanoic acid, N4-Ac 	C6H12N2O3	160.084792	NA	MeJP	NA	NA
+MJ003178	2,4-Diaminobutanoic acid, N2-Ac 	C6H12N2O3	160.084792	NA	MeJP	NA	NA
+MJ003179	2,6-Diamino-4-oxohexanoic acid 	C6H12N2O3	160.084792	NA	MeJP	NA	NA
+MJ003180	2-Amino-4-(2-aminoethoxy)-3-butenoic acid 	C6H12N2O3	160.084792	NA	MeJP	NA	NA
+MJ003181	Asparagine, N-Et 	C6H12N2O3	160.084792	NA	MeJP	NA	NA
+MJ003182	D-Alanyl-D-alanine 	C6H12N2O3	160.084792	NA	MeJP	NA	NA
+MetaCyc01163	N5-methyl-L-glutamine [methylglutamine;N5-methylglutamine;]	C6H12N2O3	160.084792	NA	metacyc	NA	NA
+MetaCyc01164	N-acetyl-L-2,4-diaminobutanoate [N&gamma;-acetyl-L-2,4-diaminobutyrate;N&gamma;-acetyl-L-2,4-diaminobutyric acid;N&gamma;-acetyl-L-2,4-diaminobutanoate;NADA;]	C6H12N2O3	160.084792	NA	metacyc	NA	NA
+MetaCyc01165	D-alanyl-D-alanine []	C6H12N2O3	160.084792	923-16-0	metacyc	NA	NA
+HMDB03459	D-Alanyl-D-alanine	C6H12N2O3	160.084793	NA	HMDB2010	NA	NA
+C00993	D-Alanyl-D-alanine	C6H12N2O3	160.0848	NA	KEGG	NA	NA
+C03153	N5-Methyl-L-glutamine	C6H12N2O3	160.0848	NA	KEGG	NA	NA
+C06442	N-gamma-Acetyldiaminobutyrate	C6H12N2O3	160.0848	NA	KEGG	NA	NA
+C06443	Hydroxamate	CH2NO2R	160.0848	NA	KEGG	NA	NA
+C10996	Daminozide	C6H12N2O3	160.0848	NA	KEGG	NA	NA
+PJ000017	AA 	C6H12N2O3	160.0848	NA	PeJP	NA	NA
+MJ003183	5,6-Undecadiene-8,10-diyn-1-ol 	C11H12O	160.088815	NA	MeJP	NA	NA
+MJ003184	2-Methyl-4-propyl-1,3-oxathiane 	C8H16OS	160.092185	NA	MeJP	NA	NA
+CJpos0353	Methyl (hydroxymethyl)pyrrolidine-carboxylate Methyl (hydroxy)piperidine-carboxylate [(M+H)]+ (13C)	C613CH14NO3	160.092375	C18rt(min)=4.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0354	Isovalerylglycine [(M+H)]+ (13C)	C613CH14NO3	160.092375	C18rt(min)=5.2 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0355	Valerylglycine isomer [(M+H)]+ (13C)	C613CH14NO3	160.092375	C18rt(min)=5.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0353	Methyl (hydroxymethyl)pyrrolidine-carboxylate § Methyl (hydroxy)piperidine-carboxylate [(M+H)]+ (13C)	C613CH14NO3	160.092375	C18rt(min)=4.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0354	Isovalerylglycine [(M+H)]+ (13C)	C613CH14NO3	160.092375	C18rt(min)=5.2 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0355	Valerylglycine isomer [(M+H)]+ (13C)	C613CH14NO3	160.092375	C18rt(min)=5.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0184	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C)	C613CH12NO3	160.093425	C18rt(min)=5.1 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0185	Isovalerylglycine [(M-H)]- (13C)	C613CH12NO3	160.093425	C18rt(min)=5.2 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0186	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C)	C613CH12NO3	160.093425	C18rt(min)=4.55 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0184	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C)	C613CH12NO3	160.093425	C18rt(min)=5.1 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0185	Isovalerylglycine [(M-H)]- (13C)	C613CH12NO3	160.093425	C18rt(min)=5.2 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0186	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(CO2)]- (13C)	C613CH12NO3	160.093425	C18rt(min)=4.55 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02636	3-Dehydrocarnitine	C7H14NO3	160.0974	NA	KEGG	NA	NA
+CJpos0356	Tryptamine [(M+H)]+	C10H13N2	160.099475	C18rt(min)=5.58 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0356	Tryptamine [(M+H)]+	C10H13N2	160.099475	C18rt(min)=5.58 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00398	Tryptamine	C10H12N2	160.1	NA	KEGG	NA	NA
+C00399	Ubiquinone	C14H18O4	160.1	NA	KEGG	NA	NA
+C02548	2-(2-Aminoethyl)indole	C10H12N2	160.1	NA	KEGG	NA	NA
+C07147	Tolazoline	C10H12N2	160.1	NA	KEGG	NA	NA
+C10126	Anatabine	C10H12N2	160.1	NA	KEGG	NA	NA
+C16906	Anabaseine	C10H12N2	160.1	NA	KEGG	NA	NA
+MJ003185	1,2,3,6-Tetrahydro-2,3'-bipyridine 	C10H12N2	160.100048	NA	MeJP	NA	NA
+MJ003186	1H-Indole-3-methanamine; 3-N-Me 	C10H12N2	160.100048	NA	MeJP	NA	NA
+MJ003187	2-Benzyl-4,5-dihydro-1H-imidazole 	C10H12N2	160.100048	NA	MeJP	NA	NA
+MJ003188	3,4,5,6-Tetrahydro-2,3'-bipyridine 	C10H12N2	160.100048	NA	MeJP	NA	NA
+MJ003189	Tryptamine 	C10H12N2	160.100048	NA	MeJP	NA	NA
+MetaCyc01166	tryptamine [3-(2-aminoethyl)indole;]	C10H12N2	160.100048	61-54-1	metacyc	NA	NA
+HMDB00303	Tryptamine	C10H12N2	160.10005	http://www.hmdb.ca/metabolites/HMDB00303	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00303	Tryptamine	C10H12N2	160.10005	http://www.hmdb.ca/metabolites/HMDB00303	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00303	Tryptamine	C10H12N2	160.10005	http://www.hmdb.ca/metabolites/HMDB00303	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00303	Tryptamine	C10H12N2	160.10005	http://www.hmdb.ca/metabolites/HMDB00303	HMDB	NA	NA
+HMDB04476	Anatabine	C10H12N2	160.10005	http://www.hmdb.ca/metabolites/HMDB04476	HMDB	NA	NA
+HMDB00303	Tryptamine	C10H12N2	160.10005	HMDB00303	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04476	Anatabine	C10H12N2	160.10005	HMDB04476	PFEM_hmdb_metabocards_official	NA	NA
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	PFEM_hmdb_metabocards_urine	NA	urine
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	HMDB	NA	NA
+HMDB00303	Tryptamine	C10H12N2	160.100052	NA	HMDB2010	NA	NA
+HMDB04476	Anatabine	C10H12N2	160.100052	NA	HMDB2010	NA	NA
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	Inhouse_PFEM	NA	NA
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	Inhousejuil11	NA	NA
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	PFEM_hmdb_metabocards_blood	NA	blood
+LABER075	Tryptamine	NA	160.100052	RT 2.83 fragt 144.08	PFEM_hmdb_metabocards_official	NA	NA
+C03864	Ethyl (R)-3-hydroxyhexanoate	C8H16O3	160.1099	NA	KEGG	NA	NA
+C03865	Ethyl (S)-3-hydroxyhexanoate	C8H16O3	160.1099	NA	KEGG	NA	NA
+C03866	Glucuronoxylan D-glucuronate	C8H16O3	160.1099	NA	KEGG	NA	NA
+C03867	High-mannose oligosaccharide	C8H16O3	160.1099	NA	KEGG	NA	NA
+C16649	4-Hydroxyvalproic acid	C8H16O3	160.1099	NA	KEGG	NA	NA
+C16650	5-Hydroxyvalproic acid	C8H16O3	160.1099	NA	KEGG	NA	NA
+C16651	3-Hydroxyvalproic acid	C8H16O3	160.1099	NA	KEGG	NA	NA
+C17527	Rengyol	C8H16O3	160.1099	NA	KEGG	NA	NA
+HMDB00486	7-Hydroxyoctanoic acid	C8H16O3	160.10994	http://www.hmdb.ca/metabolites/HMDB00486	HMDB	NA	NA
+HMDB00711	Hydroxyoctanoic acid	C8H16O3	160.10994	http://www.hmdb.ca/metabolites/HMDB00711	HMDB	NA	NA
+HMDB01954	3-hydroxyoctanoic acid	C8H16O3	160.10994	http://www.hmdb.ca/metabolites/HMDB01954	HMDB	NA	NA
+HMDB02264	(R)-2-Hydroxycaprylic acid	C8H16O3	160.10994	http://www.hmdb.ca/metabolites/HMDB02264	HMDB	NA	NA
+HMDB00486	7-Hydroxyoctanoic acid	C8H16O3	160.10994	HMDB00486	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00711	Hydroxyoctanoic acid	C8H16O3	160.10994	HMDB00711	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01954	3-hydroxyoctanoic acid	C8H16O3	160.10994	HMDB01954	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02264	(R)-2-Hydroxycaprylic acid	C8H16O3	160.10994	HMDB02264	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00486	7-Hydroxyoctanoic acid	C8H16O3	160.10994	NA	HMDB2010	NA	NA
+HMDB00711	Hydroxyoctanoic acid	C8H16O3	160.10994	NA	HMDB2010	NA	NA
+HMDB01954	3-Hydroxyoctanoic acid	C8H16O3	160.10994	NA	HMDB2010	NA	NA
+HMDB02264	(R)-2-Hydroxycaprylic acid	C8H16O3	160.10994	NA	HMDB2010	NA	NA
+HMDB10722	(R)-3-Hydroxyoctanoic acid	C8H16O3	160.10994	NA	HMDB2010	NA	NA
+MJ003190	1-(2-Hydroxyethyl)-1,4-cyclohexanediol 	C8H16O3	160.109944	NA	MeJP	NA	NA
+MJ003191	3-Hydroxyoctanoic acid 	C8H16O3	160.109944	NA	MeJP	NA	NA
+MJ003192	4,5-Dihydroxyhexanal, ?-Et pyranoside 	C8H16O3	160.109944	NA	MeJP	NA	NA
+MJ003193	5-Hydroxyoctanoic acid 	C8H16O3	160.109944	NA	MeJP	NA	NA
+MJ003194	8-Hydroxyoctanoic acid 	C8H16O3	160.109944	NA	MeJP	NA	NA
+MetaCyc01167	ethyl (S)-3-hydroxyhexanoate [3-hydroxyhexanoic acid ethyl ester;]	C8H16O3	160.109944	NA	metacyc	NA	NA
+MetaCyc01168	ethyl (R)-3-hydroxyhexanoate [3-hydroxyhexanoic acid ethyl ester;]	C8H16O3	160.109944	NA	metacyc	NA	NA
+MJ003195	2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-heptose 	C7H16N2O2	160.121177	NA	MeJP	NA	NA
+MJ003196	2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose, 6-N-Me 	C7H16N2O2	160.121177	NA	MeJP	NA	NA
+MJ003197	3,4-Diaminobutanoic acid, N4-Tri-Me 	C7H16N2O2	160.121177	NA	MeJP	NA	NA
+MJ003198	Lysine, N6-Me 	C7H16N2O2	160.121177	NA	MeJP	NA	NA
+MJ003199	Putreanine 	C7H16N2O2	160.121177	NA	MeJP	NA	NA
+MetaCyc01169	N6-Methyl-L-lysine []	C7H16N2O2	160.121178	NA	metacyc	NA	NA
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	160.121185	NA	HMDB2010	NA	NA
+HMDB06009	Isoputreanine	C7H16N2O2	160.121185	NA	HMDB2010	NA	NA
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	160.12119	http://www.hmdb.ca/metabolites/HMDB02038	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	160.12119	http://www.hmdb.ca/metabolites/HMDB02038	HMDB	NA	NA
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	160.12119	NA  ;SYN:3,5-Diiodotyrocine; 3,5-Iodo-L-tyrosine; 3,5-L-Diiodotyrosine; 4-Hydroxy-3,5-diiodophenylalanine;L-3,5-DiioDOTyrosine; L-DiiodotyrosineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	160.12119	http://www.hmdb.ca/metabolites/HMDB02038	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02038	N(6)-Methyllysine	C7H16N2O2	160.12119	HMDB02038	PFEM_hmdb_metabocards_official	NA	NA
+C02728	N6-Methyl-L-lysine	C7H16N2O2	160.1212	NA	KEGG	NA	NA
+C02729	O-Phosphoprotamine	C7H16N2O2	160.1212	NA	KEGG	NA	NA
+MJ003200	Inflatene 	C12H16	160.1252	NA	MeJP	NA	NA
+C07471	Methacholine	C8H18NO2	160.1338	NA	KEGG	NA	NA
+C07472	Transferred to D00524	C8H18NO2	160.1338	NA	KEGG	NA	NA
+MJ003201	1,3-Nonanediol 	C9H20O2	160.146329	NA	MeJP	NA	NA
+MJ003202	2-Isopropyl-1,5-hexanediol 	C9H20O2	160.146329	NA	MeJP	NA	NA
+3489	ACE inhibitor from sake lees	RF	160.5845	MH2+	Inhouse_peptide	NA	peptide
+7592	ACE inhibitor	FR	160.5845	MH2+	Inhouse_peptide	NA	peptide
+MJ003203	Iron(III) chloride 	Cl3Fe	160.8415	NA	MeJP	NA	NA
+HMDB06407	Selenophosphate	[H2PO3Se]-	160.890686	NA	HMDB2010	NA	NA
+C02791	3,4-Dichloroaniline	C6H5Cl2N	160.9799	NA	KEGG	NA	NA
+C14419	2,4-Dichloroaniline	C6H5Cl2N	160.9799	NA	KEGG	NA	NA
+C14712	2,5-Dichloroaniline	C6H5Cl2N	160.9799	NA	KEGG	NA	NA
+MetaCyc01170	3,4-dichloroaniline []	C6H5N1CL2	160.979905	NA	metacyc	NA	NA
+MJ003204	5-(2-Chloroethyl)-4-methylthiazole 	C6H8ClNS	161.006597	NA	MeJP	NA	NA
+C01044	N-Formyl-L-aspartate	C5H7NO5	161.0324	NA	KEGG	NA	NA
+HMDB02273	4-Hydroxy-L-glutamate	C5H7NO5	161.03242	http://www.hmdb.ca/metabolites/HMDB02273	HMDB	NA	NA
+HMDB02467	alpha-Ketoglutaric acid oxime	C5H7NO5	161.03242	http://www.hmdb.ca/metabolites/HMDB02467	HMDB	NA	NA
+HMDB02273	4-Hydroxy-L-glutamate	C5H7NO5	161.03242	HMDB02273	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02467	alpha-Ketoglutaric acid oxime	C5H7NO5	161.03242	HMDB02467	PFEM_hmdb_metabocards_official	NA	NA
+MJ003205	N-Formyl-L-aspartate 	C5H7NO5	161.032422	NA	MeJP	NA	NA
+MetaCyc01171	N-formyl-L-aspartate [formyl aspartate;]	C5H7N1O5	161.032422	19427-28-2	metacyc	NA	NA
+HMDB02273	4-Hydroxy-L-glutamic acid	C5H7NO5	161.032425	NA	HMDB2010	NA	NA
+HMDB02467	A-Ketoglutaric acid oxime	C5H7NO5	161.032425	NA	HMDB2010	NA	NA
+MJ003206	1-Isothiocyanato-4-(methylthio)butane 	C6H11NS2	161.03329	NA	MeJP	NA	NA
+MJ003207	1-Thiocyanato-4-(methylthio)butane 	C6H11NS2	161.03329	NA	MeJP	NA	NA
+JH112	Kynurenic acid [M+H-CO]+	NA	161.0471	12.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH112	Kynurenic acid [M+H-CO]+	NA	161.0471	12.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH112	Kynurenic acid [M+H-CO]+	NA	161.0471	12.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH112	Kynurenic acid [M+H-CO]+	NA	161.0471	12.5	Inhousejuil11	NA	NA
+CJpos0357	Hippuric acid [(M+H)-(H2O)]+	C9H8NO2	161.047175	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0358	3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+	C9H8NO2	161.047175	C18rt(min)=6.2 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0357	Hippuric acid [(M+H)-(H2O)]+	C9H8NO2	161.047175	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0358	3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+	C9H8NO2	161.047175	C18rt(min)=6.2 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003208	1H-Indole-2-carboxylic acid 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003209	1H-Indole-3-carboxylic acid 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003210	3,8-Quinolinediol 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003211	4,8-Quinolinediol 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003212	5-Hydroxy-1H-indole-3-carboxaldehyde 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003213	5-Methyl-1H-indole-4,7-dione 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003214	6-Hydroxy-1H-indole-3-carboxaldehyde 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003215	4,6-Dihydroxyquinoline 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MJ003216	4,8-Dihydroxyquinoline 	C9H7NO2	161.047678	NA	MeJP	NA	NA
+MetaCyc01172	quinolin-3,4-diol []	C9H7N1O2	161.047678	NA	metacyc	NA	NA
+MetaCyc01173	quinolin-2,8-diol []	C9H7N1O2	161.047678	NA	metacyc	NA	NA
+MetaCyc01174	3-hydroxy-1H-quinolin-4-one []	C9H7N1O2	161.047678	NA	metacyc	NA	NA
+HMDB02285	2-Indolecarboxylic acid	C9H7NO2	161.04768	http://www.hmdb.ca/metabolites/HMDB02285	HMDB	NA	NA
+HMDB03320	Indole-3-carboxylic acid	C9H7NO2	161.04768	http://www.hmdb.ca/metabolites/HMDB03320	HMDB	NA	NA
+HMDB04077	4,6-Dihydroxyquinoline	C9H7NO2	161.04768	http://www.hmdb.ca/metabolites/HMDB04077	HMDB	NA	NA
+HMDB02285	2-Indolecarboxylic acid	C9H7NO2	161.04768	HMDB02285	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03320	Indole-3-carboxylic acid	C9H7NO2	161.04768	HMDB03320	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04077	4,6-Dihydroxyquinoline	C9H7NO2	161.04768	HMDB04077	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02285	2-Indolecarboxylic acid	C9H7NO2	161.047684	NA	HMDB2010	NA	NA
+HMDB03320	Indole-3-carboxylic acid	C9H7NO2	161.047684	NA	HMDB2010	NA	NA
+HMDB04077	4,6-Dihydroxyquinoline	C9H7NO2	161.047684	NA	HMDB2010	NA	NA
+C05637	4,8-Dihydroxyquinoline	C9H7NO2	161.0477	NA	KEGG	NA	NA
+C05639	4,6-Dihydroxyquinoline	C9H7NO2	161.0477	NA	KEGG	NA	NA
+C06330	Quinoline-3,4-diol	C9H7NO2	161.0477	NA	KEGG	NA	NA
+C06342	Quinolin-2,8-diol	C9H7NO2	161.0477	NA	KEGG	NA	NA
+C11503	3-Hydroxy-1H-quinolin-4-one	C9H7NO2	161.0477	NA	KEGG	NA	NA
+C16716	4-Hydroxy-2-quinolone	C9H7NO2	161.0477	NA	KEGG	NA	NA
+CJneg0187	Xanthurenic acid [(M-H)-(CO2)]-	C9H6NO2	161.048225	C18rt(min)=5.11 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0187	Xanthurenic acid [(M-H)-(CO2)]-	C9H6NO2	161.048225	C18rt(min)=5.11 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C16759	S-Allyl-L-cysteine	C6H11NO2S	161.051	NA	KEGG	NA	NA
+MJ003217	Cysteine, S-2-Propenyl 	C6H11NO2S	161.051049	NA	MeJP	NA	NA
+MJ003218	Entadamide A 	C6H11NO2S	161.051049	NA	MeJP	NA	NA
+MJ003219	S-(1-Propenyl)cysteine 	C6H11NO2S	161.051049	NA	MeJP	NA	NA
+MJ003220	Methyl(1,2,3,6-tetrahydro-4-pyridinyl)phosphinic acid 	C6H12NO2P	161.060565	NA	MeJP	NA	NA
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR434	Glucosamine F2	NA	161.066975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR434	Glucosamine F2	NA	161.066975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR434	Glucosamine F2	NA	161.066975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR434	Glucosamine F2	NA	161.066975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR434	Glucosamine F2	F2	161.066975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0359	2-aminoadipic acid [(M+H)]+	C6H12NO4	161.068275	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0359	2-aminoadipic acid [(M+H)]+	C6H12NO4	161.068275	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00956	L-2-Aminoadipate	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C01046	N-Methyl-L-glutamate	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C01077	O-Acetyl-L-homoserine	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C01078	Procollagen L-proline	C6H8N2O2R2	161.0688	NA	KEGG	NA	NA
+C02207	beta-Alanopine	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C03210	Alanopine	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C05016	L-Glutamate methylester	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C06234	4-Methyl-L-glutamate	C6H11NO4	161.0688	NA	KEGG	NA	NA
+C06235	Alkylphosphonate	PH2O4R	161.0688	NA	KEGG	NA	NA
+C17581	3-Amino-2,3-dideoxy-scyllo-inosose	C6H11NO4	161.0688	NA	KEGG	NA	NA
+HMDB00510	Aminoadipic acid	C6H11NO4	161.0688	Short chain quaternary ammonium salts  ;SYN:Choline phosphate; N-Trimethyl-2-aminoethylphosphonate; O-Phosphocholine; Phosphocholine; Phosphoryl-cholineH2Blood; Breast Milk; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00510	Aminoadipic acid	C6H11NO4	161.068802	NA	HMDB2010	NA	NA
+MJ003221	4-Methyl-L-glutamate 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003222	L-2-Aminoadipate 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003223	N-Methyl-L-glutamate 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003224	O-Acetyl-L-homoserine 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003225	2,2'-Iminobispropanoic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003226	2,3'-Iminobispropanoic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003227	2-Amino-4-hydroxybutanoic acid, O-Ac 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003228	2-Amino-4-methylpentanedioic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003229	2-Aminohexanedioic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003230	3-Aminopentanedioic acid; N-Me 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003231	4,5-Dihydroxy-2-piperidinecarboxylic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003232	4-Hydroxy-5-hydroxymethyl-2-pyrrolidinecarboxylic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MJ003233	5-Amino-6-hydroxy-4-oxohexanoic acid 	C6H11NO4	161.068807	NA	MeJP	NA	NA
+MetaCyc01175	L-2-aminohexanedioate []	C6H11N1O4	161.068808	NA	metacyc	NA	NA
+MetaCyc01176	O-acetyl-L-homoserine [acetylhomoserine;O-acetylhomoserine;]	C6H11N1O4	161.068808	NA	metacyc	NA	NA
+MetaCyc01177	&alpha;-aminoadipate [L-&alpha;-aminoadipate;L-&alpha;-aminoadipic acid;L-2-aminoadipic acid;L-2-aminoadipate;]	C6H11N1O4	161.068808	542-32-5	metacyc	NA	NA
+MetaCyc01178	N-methyl-L-glutamate [N-methyl-L-glutamic acid;]	C6H11N1O4	161.068808	NA	metacyc	NA	NA
+MetaCyc01179	2-aminoadipate [2-aminoadipic acid;]	C6H11N1O4	161.068808	542-32-5	metacyc	NA	NA
+HMDB00510	Aminoadipic acid	C6H11NO4	161.06882	http://www.hmdb.ca/metabolites/HMDB00510	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00510	Aminoadipic acid	C6H11NO4	161.06882	http://www.hmdb.ca/metabolites/HMDB00510	HMDB	NA	NA
+HMDB00510	Aminoadipic acid	C6H11NO4	161.06882	http://www.hmdb.ca/metabolites/HMDB00510	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00510	Aminoadipic acid	C6H11NO4	161.06882	HMDB00510	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0188	2-aminoadipic acid [(M-H)]-	C6H10NO4	161.069325	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0188	2-aminoadipic acid [(M-H)]-	C6H10NO4	161.069325	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003234	5-Amino-1-phenyl-1H-tetrazole 	C7H7N5	161.070145	NA	MeJP	NA	NA
+CJneg0189	Pimelic acid / 3-methyladipic acid [(M-H)]- (13C)	C613CH11O4	161.077425	C18rt(min)=5.77 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0189	Pimelic acid / 3-methyladipic acid [(M-H)]- (13C)	C613CH11O4	161.077425	C18rt(min)=5.77 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003235	4-Guanidino-3-hydroxybutanoic acid 	C5H11N3O3	161.080041	NA	MeJP	NA	NA
+MJ003236	Azoxybacilin 	C5H11N3O3	161.080041	NA	MeJP	NA	NA
+HMDB03447	Tryptophanol	C10H11NO	161.08406	http://www.hmdb.ca/metabolites/HMDB03447	HMDB	NA	NA
+HMDB03447	Tryptophanol	C10H11NO	161.08406	HMDB03447	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03447	Tryptophanol	C10H11NO	161.084061	NA	HMDB2010	NA	NA
+MJ003237	2-Methyl-1H-indole-4-methanol 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003238	3-(2-Hydroxyethyl)indole 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003239	3-(2-Methylphenyl)-2-propenoic acid, Amide 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003240	Abikoviromycin 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003241	Boschniakine 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003242	Pedicularidine 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003243	Pediculine 	C10H11NO	161.084063	NA	MeJP	NA	NA
+MJ003244	Indole-3-ethanol 	C10H11NO	161.084064	NA	MeJP	NA	NA
+MetaCyc01180	indole-3-ethanol [Tryptophol;]	C10H11N1O1	161.084064	526-55-6	metacyc	NA	NA
+C00955	Indole-3-ethanol	C10H11NO	161.0841	NA	KEGG	NA	NA
+C09915	Boschniakine	C10H11NO	161.0841	NA	KEGG	NA	NA
+C17246	6-Methylthiohexanaldoxime	C7H15NOS	161.0874	NA	KEGG	NA	NA
+MJ003245	Dimaprit 	C6H15N3S	161.098668	NA	MeJP	NA	NA
+C17930	Dimaprit	C6H15N3S	161.0987	NA	KEGG	NA	NA
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	PFEM_hmdb_metabocards_urine	NA	urine
+JH053	Carnitine (D-) [M+H]+	C17H15NO3	161.1011	1.19	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH053	Carnitine (D-) [M+H]+	C17H15NO3	161.1011	1.19	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH053	Carnitine (D-) [M+H]+	C17H15NO3	161.1011	1.19	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	HMDB	NA	NA
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	Inhouse_PFEM	NA	NA
+JH053	Carnitine (D-) [M+H]+	C17H15NO3	161.1011	1.19	Inhousejuil11	NA	NA
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	PFEM_hmdb_metabocards_blood	NA	blood
+JH053	Carnitine (D-) 	C17H15NO3	161.1011	Rtobs1.19	PFEM_hmdb_metabocards_official	NA	NA
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR236	Carnitine F1	NA	161.102475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR236	Carnitine F1	NA	161.102475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR236	Carnitine F1	NA	161.102475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR236	Carnitine F1	NA	161.102475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR236	Carnitine F1	C7H15NO3	161.102475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0360	Carnitine (and isomer) [(M+H)]+	C7H16NO3	161.104675	C18rt(min)=0.95 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0360	Carnitine (and isomer) [(M+H)]+	C7H16NO3	161.104675	C18rt(min)=0.95 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR552	carnitine	[M+H]+	161.105175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR552	carnitine	[M+H]+	161.105175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR552	carnitine	[M+H]+	161.105175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR552	carnitine	[M+H]+	161.105175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	http://www.hmdb.ca/metabolites/HMDB00062	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	http://www.hmdb.ca/metabolites/HMDB00062	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	http://www.hmdb.ca/metabolites/HMDB00062	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	http://www.hmdb.ca/metabolites/HMDB00062	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	http://www.hmdb.ca/metabolites/HMDB00062	HMDB	NA	NA
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	Long chain acyl carnitines  ;SYN:(-)-Stearoylcarnitine; (R)-3-carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-1-Propanaminium inner salt; (R)-Stearoylcarnitine; L-(3-carboxy-2-hydroxypropyl)trimethyl-Ammonium stearate hydroxide inner salt; L-Stearic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; L-Stearoylcarnitine; Stearoyl-L-carnitine; Stearoylcarnitine;acylcarnitine C18:0;Octadecanoylcarnitine; Octadecanoyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	http://www.hmdb.ca/metabolites/HMDB00062	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00062	L-Carnitine	C7H15NO3	161.10519	HMDB00062	PFEM_hmdb_metabocards_official	NA	NA
+MJ003246	3-Amino-2,3,6-trideoxy-3-C-methyl-lyxo-hexose 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003247	3-Amino-2,3,6-trideoxy-3-C-methyl-xylo-hexose; L-Pyranose-form 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003248	3-Amino-2,3,6-trideoxy-arabino-hexose, 4-Me 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003249	3-Amino-2-hydroxy-5-methylhexanoic acid 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003250	3-Hydroxy-2-(hydroxymethyl)pyrrolidine, N-(2-Hydroxyethyl) 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003251	4-Amino-2,4,6-trideoxy-3-O-methyl-ribo-hexose 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003252	4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003253	4-Amino-2,4,6-trideoxy-arabino-hexose, 3-Me 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003254	Carnitine 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MJ003255	Eremosamine 	C7H15NO3	161.105193	NA	MeJP	NA	NA
+MetaCyc01181	D-carnitine [S-(+)-3-hydroxy-4-trimethylaminobutyrate;carnitine (D-form);(S)-carnitine;]	C7H15N1O3	161.105193	541-14-0	metacyc	NA	NA
+MetaCyc01182	L-carnitine [&gamma;-Trimethyl-hydroxybutyrobetaine;3-hydroxy-4-trimethylammoniobutanoate;R-(-)-3-hydroxy-4-trimethylaminobutyrate;vitamin B T;bicarnesine;(S)-carnitine;L-&gamma;-trimethyl-&beta;-hydroxybutyrobetaine;vitamin BT;3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium;]	C7H15N1O3	161.105193	541-15-1	metacyc	NA	NA
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	PFEM_hmdb_metabocards_urine	NA	urine
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	HMDB	NA	NA
+HMDB00062	L-Carnitine	C7H15NO3	161.105194	NA	HMDB2010	NA	NA
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	Inhouse_PFEM	NA	NA
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	Inhousejuil11	NA	NA
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	PFEM_hmdb_metabocards_blood	NA	blood
+LABER031	Carnitine 	C7H15NO3	161.105194	RT 2 162, 103, 58, 60, 85	PFEM_hmdb_metabocards_official	NA	NA
+EUR050	Carnitine	C7H15NO3	161.1052	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR050	Carnitine	C7H15NO3	161.1052	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR050	Carnitine	C7H15NO3	161.1052	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR050	Carnitine	C7H15NO3	161.1052	Wishlist	Inhousejuil11	NA	NA
+C00318	L-Carnitine	C7H15NO3	161.1052	NA	KEGG	NA	NA
+C15025	(S)-Carnitine	C7H15NO3	161.1052	NA	KEGG	NA	NA
+HMDB01010	Nicotine imine	C10H13N2	161.10786	http://www.hmdb.ca/metabolites/HMDB01010	HMDB	NA	NA
+HMDB01010	Nicotine imine	C10H13N2	161.10786	HMDB01010	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01183	nicotine-&Delta;1'5'-iminium ion [nicotine imine;(S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium;11C-nicotine imine;nicotine iminium;pyrrolidium, 1-(methylene-11C)-2-(3-pyridinyl)-, (S)-;]	C10H13N2	161.107873	NA	metacyc	NA	NA
+HMDB01010	Nicotine imine	C10H13N2	161.10788	NA	HMDB2010	NA	NA
+MJ003256	1,2,3,4-Tetrahydroquinoline; N-Et 	C11H15N	161.120449	NA	MeJP	NA	NA
+MJ003257	1-Phenyl-4-penten-2-amine 	C11H15N	161.120449	NA	MeJP	NA	NA
+MJ003258	2,3-Dihydro-2-methyl-1H-indene-2-methanamine 	C11H15N	161.120449	NA	MeJP	NA	NA
+MJ003259	2-Phenylcyclopentylamine 	C11H15N	161.120449	NA	MeJP	NA	NA
+MJ003260	5,6,7,8-Tetrahydro-2,4-dimethylquinoline 	C11H15N	161.120449	NA	MeJP	NA	NA
+MJ003261	5,6,7,8-Tetrahydro-2,5-dimethylquinoline 	C11H15N	161.120449	NA	MeJP	NA	NA
+HMDB06078	Putreanine	C7H17N2O2	161.128998	NA	HMDB2010	NA	NA
+C02290	L-Carnitinamide	C7H17N2O2	161.129	NA	KEGG	NA	NA
+C06850	Bethanechol	C7H17N2O2	161.129	NA	KEGG	NA	NA
+C06851	Transferred to D00245	C7H17N2O2	161.129	NA	KEGG	NA	NA
+MetaCyc01184	L-Carnitinamide []	C7H17N2O2	161.129003	NA	metacyc	NA	NA
+8022	synthetic peptide	PHA	161.5735	MH2+	Inhouse_peptide	NA	peptide
+MJ003262	Bromodichloromethane 	CHBrCl2	161.863868	NA	MeJP	NA	NA
+C14708	Bromodichloromethane	CHBrCl2	161.8639	NA	KEGG	NA	NA
+MetaCyc01185	MoO42- [molybdate;molybdate ion;MoO4-2;]	O4MO1	161.885066	NA	metacyc	NA	NA
+MetaCyc01186	tellurite [TeO2;]	O2TE1	161.896052	NA	metacyc	NA	NA
+HMDB12288	Tellurite	O2Te	161.896057	NA	HMDB2010	NA	NA
+HMDB03840	Phosphoroselenoic acid	H3O3PSe	161.898499	NA	HMDB2010	NA	NA
+HMDB03840	Phosphoroselenoic acid 	H3O3PSe	161.8985	http://www.hmdb.ca/metabolites/HMDB03840	HMDB	NA	NA
+C05172	Selenophosphate	PH3SeO3	161.8985	NA	KEGG	NA	NA
+HMDB03840	Phosphoroselenoic acid 	H3O3PSe	161.8985	HMDB03840	PFEM_hmdb_metabocards_official	NA	NA
+MJ003263	Selenophosphate 	H3O3PSe	161.898502	NA	MeJP	NA	NA
+MetaCyc01187	selenophosphate [SePO3;]	H3O3P1SE1	161.898502	16561-29-8	metacyc	NA	NA
+MJ003264	Sodium chromate(VI) (Na2CrO4) 	CrNa2O4	161.899709	NA	MeJP	NA	NA
+C11150	Trichloroacetate	C2HCl3O2	161.9042	NA	KEGG	NA	NA
+MJ003265	1,1,3-Trichloro-2-propanol 	C3H5Cl3O	161.940597	NA	MeJP	NA	NA
+C02625	2,4-Dichlorophenol	C6H4Cl2O	161.9639	NA	KEGG	NA	NA
+C06602	2,5-Dichlorophenol	C6H4Cl2O	161.9639	NA	KEGG	NA	NA
+C07096	2,6-Dichlorophenol	C6H4Cl2O	161.9639	NA	KEGG	NA	NA
+C14462	3,4-Dichlorophenol	C6H4Cl2O	161.9639	NA	KEGG	NA	NA
+HMDB04811	2,4-Dichlorophenol	C6H4Cl2O	161.96391	http://www.hmdb.ca/metabolites/HMDB04811	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04811	2,4-Dichlorophenol	C6H4Cl2O	161.96391	http://www.hmdb.ca/metabolites/HMDB04811	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04811	2,4-Dichlorophenol	C6H4Cl2O	161.96391	http://www.hmdb.ca/metabolites/HMDB04811	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04811	2,4-Dichlorophenol	C6H4Cl2O	161.96391	http://www.hmdb.ca/metabolites/HMDB04811	HMDB	NA	NA
+HMDB04811	2,4-Dichlorophenol	C6H4Cl2O	161.96391	HMDB04811	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04811	2,4-Dichlorophenol	C6H4Cl2O	161.963913	NA	HMDB2010	NA	NA
+MJ003266	2,6-Dichlorophenol 	C6H4Cl2O	161.96392	NA	MeJP	NA	NA
+MJ003267	2,4-Dichlorophenol 	C6H4Cl2O	161.96392	NA	MeJP	NA	NA
+MJ003268	2,5-Dichlorophenol 	C6H4Cl2O	161.96392	NA	MeJP	NA	NA
+MJ003269	2,6-Dichlorophenol 	C6H4Cl2O	161.96392	NA	MeJP	NA	NA
+MetaCyc01188	2,5-dichlorophenol [2,5-DCP;]	C6H4O1CL2	161.96392	583-78-8	metacyc	NA	NA
+MetaCyc01189	2,4-dichlorophenol []	C6H4O1CL2	161.96392	120-83-2	metacyc	NA	NA
+MJ003270	5-Chlorobarbituric acid 	C4H3ClN2O3	161.983219	NA	MeJP	NA	NA
+C14700	2-Chloro-1,1,2-trifluoroethyl ethyl ether	C4H6ClF3O	162.0059	NA	KEGG	NA	NA
+MJ003271	5-(Chloromethyl)-5-hydroxy-3-methyl-2(5H)-furanone 	C6H7ClO3	162.008371	NA	MeJP	NA	NA
+MJ003272	Aluminium diacetate monohydroxide 	C4H7AlO5	162.010886	NA	MeJP	NA	NA
+MJ003273	5-(2-Thienyl)-2-penten-4-ynal 	C9H6OS	162.013935	NA	MeJP	NA	NA
+C01127	4-Hydroxy-2-oxoglutarate	C5H6O6	162.0164	NA	KEGG	NA	NA
+C01128	Complement component C3b	C5H6O6	162.0164	NA	KEGG	NA	NA
+C01129	Complement component C4b	C5H6O6	162.0164	NA	KEGG	NA	NA
+C05946	D-4-Hydroxy-2-oxoglutarate	C5H6O6	162.0164	NA	KEGG	NA	NA
+HMDB02070	4-Hydroxy-2-oxoglutaric acid	C5H6O6	162.01643	http://www.hmdb.ca/metabolites/HMDB02070	HMDB	NA	NA
+HMDB02070	4-Hydroxy-2-oxoglutaric acid	C5H6O6	162.01643	HMDB02070	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02070	4-Hydroxy-2-oxoglutaric acid	C5H6O6	162.016434	NA	HMDB2010	NA	NA
+MJ003274	4-Hydroxy-2-oxoglutarate 	C5H6O6	162.016437	NA	MeJP	NA	NA
+MJ003275	D-4-Hydroxy-2-oxoglutarate 	C5H6O6	162.016437	NA	MeJP	NA	NA
+MJ003276	2-Hydroxy-4-oxopentanedioic acid 	C5H6O6	162.016437	NA	MeJP	NA	NA
+MetaCyc01190	D-4-hydroxy-2-keto-glutarate [4-hydroxy-2-oxoglutarate;D-4-hydroxy-2-ketoglutarate;2-k-4-OH-glutarate;2-keto-4-hydroxyglutarate;2-Oxo-4-hydroxyglutarate;4-hydroxy-2-ketoglutarate;]	C5H6O6	162.016438	1187-99-1	metacyc	NA	NA
+CJneg0190	Fumaric acid [(M-H)+(HCOOH)]-	C5H5O6	162.017025	C18rt(min)=1.1 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0190	Fumaric acid [(M-H)+(HCOOH)]-	C5H5O6	162.017025	C18rt(min)=1.1 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07600	Allicin	C6H10OS2	162.0173	NA	KEGG	NA	NA
+MJ003277	1-Propenyl 2-propenyl disulfide, 4-Oxide 	C6H10OS2	162.017306	NA	MeJP	NA	NA
+MJ003278	1-Propenyl 2-propenyl disulfide, 5-Oxide 	C6H10OS2	162.017306	NA	MeJP	NA	NA
+MJ003279	1-Propenyl 2-propenyl disulfide, 4-Oxide 	C6H10OS2	162.017306	NA	MeJP	NA	NA
+MJ003280	1-Propenyl 2-propenyl disulfide, 5-Oxide 	C6H10OS2	162.017306	NA	MeJP	NA	NA
+MJ003281	2,3-Dimethyl-5,6-dithiabicyclo[2.1.1]hexane, 5?-Oxide 	C6H10OS2	162.017306	NA	MeJP	NA	NA
+MJ003282	Allicin 	C6H10OS2	162.017306	NA	MeJP	NA	NA
+MJ003283	1-Piperazinecarbodithioic acid 	C5H10N2S2	162.028539	NA	MeJP	NA	NA
+JH225	Chlorogenic acid N/A	NA	162.0298	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH225	Chlorogenic acid N/A	NA	162.0298	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH225	Chlorogenic acid N/A	NA	162.0298	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH225	Chlorogenic acid N/A	NA	162.0298	11.5	Inhousejuil11	NA	NA
+JH098	Caffeic acid [M+H-H20]+	NA	162.0311	12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH098	Caffeic acid [M+H-H20]+	NA	162.0311	12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH098	Caffeic acid [M+H-H20]+	NA	162.0311	12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH098	Caffeic acid [M+H-H20]+	NA	162.0311	12.21	Inhousejuil11	NA	NA
+HMDB02149	3 hydroxycoumarin	C9H6O3	162.03169	http://www.hmdb.ca/metabolites/HMDB02149	HMDB	NA	NA
+HMDB02149	3 hydroxycoumarin	C9H6O3	162.03169	HMDB02149	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02149	3 Hydroxycoumarin	C9H6O3	162.031693	NA	HMDB2010	NA	NA
+MJ003284	3-Hydroxy-2H-1-benzopyran-2-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003285	4-Hydroxy-2H-1-benzopyran-2-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003286	5-Benzofurancarboxylic acid 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003287	5-Hydroxy-2H-1-benzopyran-2-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003288	6-Hydroxy-2H-1-benzopyran-2-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003289	7-Hydroxy-2H-1-benzopyran-2-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003290	8-Hydroxy-1H-2-benzopyran-1-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003291	8-Hydroxy-2H-1-benzopyran-2-one 	C9H6O3	162.031694	NA	MeJP	NA	NA
+MJ003292	9-Hydroxy-2,4,6-nonatriynoic acid 	C9H6O3	162.031694	NA	MeJP	NA	NA
+C09315	Umbelliferone	C9H6O3	162.0317	NA	KEGG	NA	NA
+HMDB12134	1,2-Dihydroxy-3-keto-5-methylthiopentene	C6H10O3S	162.035065	NA	HMDB2010	NA	NA
+MetaCyc01191	1,2-dihydroxy-3-keto-5-methylthiopentene [1,2-dihydroxy-3-keto-5-methylthiopentene anion;1,2-dihydroxy-3-keto-5-methylthiopentane;]	C6H10O3S1	162.035065	NA	metacyc	NA	NA
+MetaCyc01192	2-oxo-5-methylthiopentanoic-acid []	C6H10O3S1	162.035065	NA	metacyc	NA	NA
+C15606	1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one	C6H10O3S	162.0351	NA	KEGG	NA	NA
+C17211	2-Oxo-5-methylthiopentanoic acid	C6H10O3S	162.0351	NA	KEGG	NA	NA
+CJpos0361	Nicotinuric acid isomer [(M+H)-(H2O)]+	C8H7N2O2	162.042375	C18rt(min)=5.31 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0361	Nicotinuric acid isomer [(M+H)-(H2O)]+	C8H7N2O2	162.042375	C18rt(min)=5.31 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003293	2,4(1H,3H)-Quinazolinedione 	C8H6N2O2	162.042927	NA	MeJP	NA	NA
+MJ003294	2-(2-Hydroxyphenyl)-1,3,4-oxadiazole 	C8H6N2O2	162.042927	NA	MeJP	NA	NA
+C11196	Methomyl	C5H10N2O2S	162.0463	NA	KEGG	NA	NA
+C11197	Transferred to D01051	C5H10N2O2S	162.0463	NA	KEGG	NA	NA
+MJ003295	1-Tridecene-3,5,7,9,11-pentayne 	C13H6	162.04695	NA	MeJP	NA	NA
+C08464	Tridec-1-ene-3,5,7,9,11-pentayne	C13H6	162.047	NA	KEGG	NA	NA
+CJpos0362	3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+ (13C)	C813CH8NO2	162.050475	C18rt(min)=6.2 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0362	3-indole carboxylic acid glucuronide [(M+H)-(C6H8O6)]+ (13C)	C813CH8NO2	162.050475	C18rt(min)=6.2 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00478	Lichenin	C6H10O5	162.0528	NA	KEGG	NA	NA
+C01088	(R)-3,3-Dimethylmalate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C01989	3-Ethylmalate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C02360	2-Hydroxyadipate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C02488	(R)-2-Ethylmalate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C02489	(R)-2-Hydroxyacid	C2H3O3R	162.0528	NA	KEGG	NA	NA
+C02490	1,2-beta-D-Glucan	OH	162.0528	NA	KEGG	NA	NA
+C02492	1,4-beta-D-Mannan	OH	162.0528	NA	KEGG	NA	NA
+C02493	1,6-beta-D-Glucan	C12H22O11	162.0528	NA	KEGG	NA	NA
+C02991	L-Rhamnono-1,4-lactone	C6H10O5	162.0528	NA	KEGG	NA	NA
+C02992	L-Threonyl-tRNA(Thr)	C14H24NO12PR2	162.0528	NA	KEGG	NA	NA
+C03652	(2R,3S)-2,3-Dimethylmalate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C03761	3-Hydroxy-3-methylglutarate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C03827	2-Dehydro-3-deoxy-L-fuconate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C03979	2-Dehydro-3-deoxy-L-rhamnonate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C06158	D-Fucono-1,4-lactone	C6H10O5	162.0528	NA	KEGG	NA	NA
+C06159	2-Dehydro-3-deoxy-D-fuconate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C06474	3,6-Anhydrogalactose	C6H10O5	162.0528	NA	KEGG	NA	NA
+C06478	3,6-Anhydroglucose	C6H10O5	162.0528	NA	KEGG	NA	NA
+C06479	Ketosteroid	C6H10O5	162.0528	NA	KEGG	NA	NA
+C06481	L-Seryl-tRNA(Sec)	C13H22NO12PR2	162.0528	NA	KEGG	NA	NA
+C06482	L-Selenocysteinyl-tRNA(Sec)	C13H22NO11PSeR2	162.0528	NA	KEGG	NA	NA
+C06483	N-Acetyl-alpha-D-galactosaminyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-	C20H34NO15R	162.0528	NA	KEGG	NA	NA
+C06485	1,5-Anhydro-D-fructose	C6H10O5	162.0528	NA	KEGG	NA	NA
+C11592	Diethyl pyrocarbonate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C16390	(S)-2-(Hydroxymethyl)glutarate	C6H10O5	162.0528	NA	KEGG	NA	NA
+C17209	2-Deoxy-scyllo-inosose	C6H10O5	162.0528	NA	KEGG	NA	NA
+C18028	L-Fucono-1,5-lactone	C6H10O5	162.0528	NA	KEGG	NA	NA
+MJ003296	(R)-3,3-Dimethylmalate 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003297	2,3-Dimethylmalate 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003298	D-Fucono-1,4-lactone 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003299	L-Rhamno-1,4-lactone 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003300	(R)-2-Ethylmalate 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003301	2-Dehydro-3-deoxy-D-fuconate 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003302	2-Dehydro-3-deoxy-L-rhamnonate 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003303	3-Ethylmalate 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003304	1,5-Anhydrofructose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003305	1,6-Anhydromannose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003306	2,5-Anhydroidose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003307	3,6-Anhydrogalactose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003308	3-Hydroxy-3-methylpentanedioic acid 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003309	6-Deoxy-arabino-hexos-5-ulose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003310	6-Deoxy-lyxo-hexos-2-ulose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003311	6-Deoxymannonic acid, 1,4-Lactone 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003312	Cellulose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003313	Glycogen 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003314	Laminarin; Insoluble-form 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003315	Laminarin; Soluble-form 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003316	Lichenan 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003317	Mannan 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003318	Streptose 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MJ003319	Tetrahydro-5,5-dihydroxy-2-(hydroxymethyl)-4H-pyran-4-one 	C6H10O5	162.052823	NA	MeJP	NA	NA
+MetaCyc01193	L-rhamno-1,4-lactone []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01194	diethylpyrocarbonate [DEPC;]	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01195	2-dehydro-3-deoxy-l-rhamnonate []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01196	2-dehydro-3-deoxy-L-fuconate []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01197	(R)-2-Ethylmalate []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01198	2,3-dimethylmalate []	C6H10O5	162.052823	31519-20-7	metacyc	NA	NA
+MetaCyc01199	(2R,3S)-2,3-dimethylmalate []	C6H10O5	162.052823	73522-92-6	metacyc	NA	NA
+MetaCyc01200	3-hydroxy-3-methylglutarate [3-hydorxy-3-methylglutaric acid;&beta;-Hydroxy-&beta;-methylglutaric acid;dicrotalic acid;3-hydroxy-3-methylpentanedioic acid;]	C6H10O5	162.052823	503-49-1	metacyc	NA	NA
+MetaCyc01201	(S)-3-Hydroxy-3-methylglutarate [(S)-3-Hydroxy-3-methylglutaric acid;(S)-Meglutol;]	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01202	2-hydroxyadipate []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01203	3-ethylmalate []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01204	(R)-3,3-Dimethylmalate []	C6H10O5	162.052823	NA	metacyc	NA	NA
+MetaCyc01205	2-dehydro-3-deoxy-D-fuconate []	C6H10O5	162.052823	35902-09-1	metacyc	NA	NA
+HMDB00321	2-Hydroxyadipic acid	C6H10O5	162.052826	NA	HMDB2010	NA	NA
+HMDB00345	3-Hydroxyadipic acid	C6H10O5	162.052826	NA	HMDB2010	NA	NA
+HMDB00355	3-Hydroxymethylglutaric acid	C6H10O5	162.052826	NA	HMDB2010	NA	NA
+HMDB00368	2(R)-Hydroxyadipic acid	C6H10O5	162.052826	NA	HMDB2010	NA	NA
+HMDB00640	Glucosan	C6H10O5	162.052826	NA	HMDB2010	NA	NA
+HMDB00321	2-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00321	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00345	3-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00345	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00355	3-Hydroxymethylglutaric acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00355	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00640	Glucosan	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00640	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00321	2-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00321	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00345	3-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00345	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00355	3-Hydroxymethylglutaric acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00355	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00640	Glucosan	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00640	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00321	2-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00321	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00345	3-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00345	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00355	3-Hydroxymethylglutaric acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00355	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00640	Glucosan	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00640	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00321	2-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00321	HMDB	NA	NA
+HMDB00345	3-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00345	HMDB	NA	NA
+HMDB00355	3-Hydroxymethylglutaric acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00355	HMDB	NA	NA
+HMDB00368	2(R)-Hydroxyadipic acid	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00368	HMDB	NA	NA
+HMDB00640	Glucosan	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB00640	HMDB	NA	NA
+HMDB06798	1,4-beta-D-Mannan	C6H10O5	162.05283	http://www.hmdb.ca/metabolites/HMDB06798	HMDB	NA	NA
+HMDB00321	2-Hydroxyadipic acid	C6H10O5	162.05283	HMDB00321	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00345	3-Hydroxyadipic acid	C6H10O5	162.05283	HMDB00345	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00355	3-Hydroxymethylglutaric acid	C6H10O5	162.05283	HMDB00355	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00368	2(R)-Hydroxyadipic acid	C6H10O5	162.05283	HMDB00368	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00640	Glucosan	C6H10O5	162.05283	HMDB00640	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06798	1,4-beta-D-Mannan	C6H10O5	162.05283	HMDB06798	PFEM_hmdb_metabocards_official	NA	NA
+7607	ACE inhibitor	GS	162.053	antioxidative	Inhouse_peptide	NA	peptide
+7618	ACE inhibitor	SG	162.053	antioxidative	Inhouse_peptide	NA	peptide
+MJ003320	1-Methylpropyl 1-propenyl disulfide 	C7H14S2	162.053691	NA	MeJP	NA	NA
+MJ003321	4-Hydroxyglutamine 	C5H10N2O4	162.064056	NA	MeJP	NA	NA
+PJ000018	GS 	C5H10N2O4	162.0641	NA	PeJP	NA	NA
+MJ003322	2,3-Dihydro-2-hydroxy-6-methyl-3-methylenebenzofuran 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003323	2,8-Decadiene-4,6-diyne-1,10-diol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003324	2-(2,4-Hexadiynylidene)tetrahydro-3-furanol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003325	3,4-Dihydro-4-hydroxy-1(2H)-naphthalenone 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003326	3-(2-Hydroxyphenyl)-2-propenal, Me ether 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003327	3-(4-Hydroxyphenyl)-2-propenal, Me ether 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003328	3-Phenyl-2-propenoic acid, Me ester 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003329	4,5-Decadiene-7,9-diyne-1,3-diol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003330	4,6,8-Decatriyne-1,2-diol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003331	4,6,8-Decatriyne-1,3-diol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003332	4-(4-Hydroxyphenyl)-3-buten-2-one 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003333	4-Hydroxy-7-methyl-1-indanone 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003334	5-(2-Hexynylidene)-2(5H)-furanone 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003335	6-Methyl-3-benzofuranmethanol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003336	?-Dolabrin 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003337	Cleviolide 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003338	Isosafrole 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003339	Safrole 	C10H10O2	162.068079	NA	MeJP	NA	NA
+MJ003340	cis-1,2-Dihydronaphthalene-1,2-diol 	C10H10O2	162.068079	NA	MeJP	NA	NA
+HMDB02333	Safrole	C10H10O2	162.06808	http://www.hmdb.ca/metabolites/HMDB02333	HMDB	NA	NA
+MetaCyc01206	methylcinnamate []	C10H10O2	162.06808	NA	metacyc	NA	NA
+MetaCyc01207	cis-1,2-dihydronaphthalene-1,2-diol [(1R,2S)-1,2-dihydro-1,2-dihyroxynaphthalene;(1R,2S)-naphthalene-1,2-dihydrodiol;naphthalene dihydrodiol;cis-1,2-dihydroxy-1,2-dihydronaphthalene;(1R,2S)-1,2-Dihydronaphthalene-1,2-diol;3,4-dihydronaphthalene-3,4-diol;cis-1,2-dihydronaphthalene-1,2-diol;(1R, 2S)-1,2-Dihydronaphthalene-1,2-diol;]	C10H10O2	162.06808	NA	metacyc	NA	NA
+HMDB02333	Safrole	C10H10O2	162.06808	HMDB02333	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02333	Safrole	C10H10O2	162.068085	NA	HMDB2010	NA	NA
+C04314	cis-1,2-Dihydronaphthalene-1,2-diol	C10H10O2	162.0681	NA	KEGG	NA	NA
+C04315	sn-3-D-Galactosyl-sn-2-acylglycerol	C10H17O9R	162.0681	NA	KEGG	NA	NA
+C04514	(1S,2S)-1,2-Dihydronaphthalene-1,2-diol	C10H10O2	162.0681	NA	KEGG	NA	NA
+C04515	(3S)-3-Hydroxyacyl-N-acylthioethanolamine	C6H9NO3SR2	162.0681	NA	KEGG	NA	NA
+C06205	1,2-Dihydronaphthalene-1,2-diol	C10H10O2	162.0681	NA	KEGG	NA	NA
+C06358	Methyl cinnamate	C10H10O2	162.0681	NA	KEGG	NA	NA
+C10472	Isosafrole	C10H10O2	162.0681	NA	KEGG	NA	NA
+C10475	p-Methoxycinnamaldehyde	C10H10O2	162.0681	NA	KEGG	NA	NA
+C10490	Safrole	C10H10O2	162.0681	NA	KEGG	NA	NA
+C12088	4-Hydroxycinnamoylmethane	C10H10O2	162.0681	NA	KEGG	NA	NA
+C15419	trans-2-Phenylcyclopropanecarboxylic acid	C10H10O2	162.0681	NA	KEGG	NA	NA
+MetaCyc01208	7-mercaptoheptanoate [7-mercaptoheptanoic acid;7-mercaptoheptanoate;]	C7H14O2S1	162.07145	NA	metacyc	NA	NA
+C16593	7-Mercaptoheptanoic acid	C7H14O2S	162.0715	NA	KEGG	NA	NA
+C13840	1-Ethyl-2-benzimidazolinone	C9H10N2O	162.0793	NA	KEGG	NA	NA
+MJ003341	2-Amino-4,5-dihydro-5-phenyloxazole 	C9H10N2O	162.079312	NA	MeJP	NA	NA
+MJ003342	Jasminidine 	C9H10N2O	162.079312	NA	MeJP	NA	NA
+MetaCyc01209	norcotinine [demethylcotinine;]	C9H10N2O1	162.079313	NA	metacyc	NA	NA
+HMDB01297	Norcotinine	C9H10N2O	162.079315	NA	HMDB2010	NA	NA
+HMDB01297	Norcotinine	C9H10N2O	162.07932	http://www.hmdb.ca/metabolites/HMDB01297	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01297	Norcotinine	C9H10N2O	162.07932	http://www.hmdb.ca/metabolites/HMDB01297	HMDB	NA	NA
+HMDB01297	Norcotinine	C9H10N2O	162.07932	http://www.hmdb.ca/metabolites/HMDB01297	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01297	Norcotinine	C9H10N2O	162.07932	HMDB01297	PFEM_hmdb_metabocards_official	NA	NA
+C08234	beta-Cymaropyranose	C7H14O4	162.0892	NA	KEGG	NA	NA
+C08237	beta-L-Oleandropyranose	C7H14O4	162.0892	NA	KEGG	NA	NA
+MJ003343	2,3-Dihydroxy-2-isopropylbutanoic acid 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003344	2,6-Dideoxy-3-C-methyl-arabino-hexose 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003345	2,6-Dideoxy-3-C-methyl-ribo-hexose 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003346	2,6-Dideoxy-3-C-methyl-xylo-hexose 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003347	2,6-Dideoxy-3-O-methyl-lyxo-hexose 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003348	2,6-Dideoxy-lyxo-hexose, 4-Me 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003349	2,6-Dideoxy-ribo-hexose, 4-Me 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003350	2,6-Dideoxy-ribo-hexose; ?-L-Pyranose-form, Me glycoside 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003351	2,6-Dideoxy-xylo-hexose, 3-Me 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003352	3,6-Dideoxy-arabino-hexose; Me glycoside 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003353	4-(Hydroxymethy)l-1,2,3-cyclohexanetriol 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003354	Cymarose 	C7H14O4	162.089208	NA	MeJP	NA	NA
+MJ003355	Oleandrose 	C7H14O4	162.089208	NA	MeJP	NA	NA
+C01028	N6-Hydroxy-L-lysine	C6H14N2O3	162.1004	NA	KEGG	NA	NA
+C02627	2-Deoxystreptamine	C6H14N2O3	162.1004	NA	KEGG	NA	NA
+C16741	5-Hydroxy-L-lysine	C6H14N2O3	162.1004	NA	KEGG	NA	NA
+C16742	allo-Hydroxy-L-lysine	C6H14N2O3	162.1004	NA	KEGG	NA	NA
+HMDB00450	5-Hydroxylysine	C6H14N2O3	162.10043	http://www.hmdb.ca/metabolites/HMDB00450	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00450	5-Hydroxylysine	C6H14N2O3	162.10043	http://www.hmdb.ca/metabolites/HMDB00450	HMDB	NA	NA
+HMDB00450	5-Hydroxylysine	C6H14N2O3	162.10043	http://www.hmdb.ca/metabolites/HMDB00450	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00450	5-Hydroxylysine	C6H14N2O3	162.10043	HMDB00450	PFEM_hmdb_metabocards_official	NA	NA
+MJ003356	N6-Hydroxy-L-lysine 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003357	Procollagen 5-hydroxy-L-lysine 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003358	1,3-Diamino-1,2,3-trideoxy-myo-inositol 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003359	2,4-Diamino-2,4,6-trideoxyglucose 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003360	2,6-Diamino-2,3,6-trideoxy-ribo-hexose 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003361	2,6-Diamino-5-hydroxyhexanoic acid 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003362	3,6-Diamino-4-hydroxyhexanoic acid 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003363	3,6-Diamino-5-hydroxyhexanoic acid 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MJ003364	Lysine, N6-Hydroxy 	C6H14N2O3	162.100442	NA	MeJP	NA	NA
+MetaCyc01210	hydroxy-lysine [5-hydroxylysine;5-hydroxy-L-lysine;]	C6H14N2O3	162.100442	NA	metacyc	NA	NA
+MetaCyc01211	N6-Hydroxy-L-lysine []	C6H14N2O3	162.100442	NA	metacyc	NA	NA
+MetaCyc01212	5-hydroxy-L-lysine []	C6H14N2O3	162.100442	NA	metacyc	NA	NA
+MetaCyc01213	L-erythro-5-hydroxy-lysine [&delta;-hydroxy-L-lysine;hydroxylysine;L-erythro-5-hydroxylysine;]	C6H14N2O3	162.100442	28902-93-4	metacyc	NA	NA
+HMDB00450	5-Hydroxylysine	C6H14N2O3	162.100449	NA	HMDB2010	NA	NA
+HMDB00450	5-Hydroxylysine	C6H14N2O3	162.10045	NA  ;SYN:2-(3-Pyridyl)acetate; 2-(3-Pyridyl)acetic acid; 2-(Pyridin-3-yl)acetate; 2-(Pyridin-3-yl)acetic acid; 3-Carboxymethylpyridine; 3-Pyridylacetate; 3-Pyridylacetic acid; Coletin; Lessterol; Lioxone; Minedil; Piridil; Piristerol; Pyridin-3-ylacetate; Pyridin-3-ylacetic acid; Toneon; a-(3-Pyridyl)acetate; a-(3-Pyridyl)acetic acid; alpha-(3-Pyridyl)acetate; alpha-(3-Pyridyl)acetic acidH2Blood	Inhouse_peptide	NA	peptide
+MJ003365	1-Phenyl-1-pentanone 	C11H14O	162.104465	NA	MeJP	NA	NA
+MJ003366	9-Undecene-5,7-diyn-3-ol 	C11H14O	162.104465	NA	MeJP	NA	NA
+MJ003367	Caudoxirene 	C11H14O	162.104465	NA	MeJP	NA	NA
+MJ003368	Lamoxirene 	C11H14O	162.104465	NA	MeJP	NA	NA
+CJpos0363	Carnitine (and isomer) [(M+H)]+ (13C)	C613CH16NO3	162.107975	C18rt(min)=0.95 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0363	Carnitine (and isomer) [(M+H)]+ (13C)	C613CH16NO3	162.107975	C18rt(min)=0.95 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00487	Carnitine	C7H16NO3	162.113	NA	KEGG	NA	NA
+MJ003369	Carnitine 	C7H16NO3	162.113018	NA	MeJP	NA	NA
+CJpos0364	Nicotine [(M+H)]+	C10H15N2	162.115175	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0364	Nicotine [(M+H)]+	C10H15N2	162.115175	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01934	L(-)-Nicotine pestanal	C10H14N2	162.115692	NA	HMDB2010	NA	NA
+HMDB04350	Anabasine	C10H14N2	162.115692	NA	HMDB2010	NA	NA
+MJ003370	3-(2-Piperidinyl)pyridine 	C10H14N2	162.115698	NA	MeJP	NA	NA
+MJ003371	Metanicotine 	C10H14N2	162.115698	NA	MeJP	NA	NA
+MJ003372	N-(2,4-Dimethylphenyl)methanimidamide; N'-Me 	C10H14N2	162.115698	NA	MeJP	NA	NA
+MJ003373	Nicotine 	C10H14N2	162.115698	NA	MeJP	NA	NA
+MJ003374	Anabasine 	C10H14N2	162.115698	NA	MeJP	NA	NA
+MJ003375	Nicotine 	C10H14N2	162.115698	NA	MeJP	NA	NA
+MetaCyc01214	(R)-nicotine []	C10H14N2	162.115698	NA	metacyc	NA	NA
+MetaCyc01215	nicotine []	C10H14N2	162.115698	NA	metacyc	NA	NA
+C00745	Nicotine	C10H14N2	162.1157	NA	KEGG	NA	NA
+C06180	Anabasine	C10H14N2	162.1157	NA	KEGG	NA	NA
+C11357	(-)-Anabasine	C10H14N2	162.1157	NA	KEGG	NA	NA
+C16150	(R,S)-Nicotine	C10H14N2	162.1157	NA	KEGG	NA	NA
+C16386	(R)-Nicotine	C10H14N2	162.1157	NA	KEGG	NA	NA
+HMDB04350	Anabasine	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB04350	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01934	L(-)-Nicotine pestanal	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB01934	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04350	Anabasine	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB04350	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04350	Anabasine	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB04350	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04350	Anabasine	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB04350	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01934	L(-)-Nicotine pestanal	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB01934	HMDB	NA	NA
+HMDB04350	Anabasine	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB04350	HMDB	NA	NA
+HMDB01934	L(-)-Nicotine pestanal	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB01934	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04350	Anabasine	C10H14N2	162.11571	http://www.hmdb.ca/metabolites/HMDB04350	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01934	L(-)-Nicotine pestanal	C10H14N2	162.11571	HMDB01934	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04350	Anabasine	C10H14N2	162.11571	HMDB04350	PFEM_hmdb_metabocards_official	NA	NA
+MJ003376	1,3,7-Octanetriol 	C8H18O3	162.125594	NA	MeJP	NA	NA
+MJ003377	Terbuprol 	C8H18O3	162.125594	NA	MeJP	NA	NA
+MJ003378	11,12,13-Trinor-1(10),4,6-germacratriene 	C12H18	162.14085	NA	MeJP	NA	NA
+MJ003379	2,3,3a,4,5,6-Hexahydro-1,4-dimethylazulene 	C12H18	162.14085	NA	MeJP	NA	NA
+MJ003380	Albene 	C12H18	162.14085	NA	MeJP	NA	NA
+MJ003381	Clavukerin A 	C12H18	162.14085	NA	MeJP	NA	NA
+MJ003382	Cogeijerene 	C12H18	162.14085	NA	MeJP	NA	NA
+MJ003383	Geijerene 	C12H18	162.14085	NA	MeJP	NA	NA
+MJ003384	Isoclavukerin A 	C12H18	162.14085	NA	MeJP	NA	NA
+7992	synthetic peptide	LHG	162.5815	MH2+	Inhouse_peptide	NA	peptide
+2664	synthetic fr, of human beta-CN (127-129) ACE inhibitor	PLP	162.594	MH2+	Inhouse_peptide	NA	peptide
+3391	ACE inhibitor	LPP	162.594	MH2+	Inhouse_peptide	NA	peptide
+3522	ACE inhibitor (from bovine b-CN)	IPP	162.594	MH2+	Inhouse_peptide	NA	peptide
+MJ003385	Pertechnetate(VII)(1-) 	O4Tc(-)	162.894699	NA	MeJP	NA	NA
+JH013	Taurine [M+K]+	NA	162.9654	1.28	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH013	Taurine [M+K]+	NA	162.9654	1.28	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH013	Taurine [M+K]+	NA	162.9654	1.28	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH013	Taurine [M+K]+	NA	162.9654	1.28	Inhousejuil11	NA	NA
+CJpos0365	Taurine (and isomer) [M+K]+	C2H7O3NKS	162.969975	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0365	Taurine (and isomer) [M+K]+	C2H7O3NKS	162.969975	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003386	2-Thioxo-4-thiazolidinecarboxylic acid 	C4H5NO2S2	162.976169	NA	MeJP	NA	NA
+C14764	2-Thiophenesulfonamide	C4H5NO2S2	162.9762	NA	KEGG	NA	NA
+MJ003387	Acesulfame 	C4H5NO4S	162.993928	NA	MeJP	NA	NA
+MJ003388	1-Isothiocyanato-3-(methylsulfinyl)propane 	C5H9NOS2	163.012555	NA	MeJP	NA	NA
+HMDB06095	3-Methylsulfinylpropyl isothiocyanate	C5H9NOS2	163.012558	NA	HMDB2010	NA	NA
+HMDB06095	3-Methylsulfinylpropyl isothiocyanate	C5H9NOS2	163.01256	http://www.hmdb.ca/metabolites/HMDB06095	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06095	3-Methylsulfinylpropyl isothiocyanate	C5H9NOS2	163.01256	http://www.hmdb.ca/metabolites/HMDB06095	HMDB	NA	NA
+HMDB06095	3-Methylsulfinylpropyl isothiocyanate	C5H9NOS2	163.01256	http://www.hmdb.ca/metabolites/HMDB06095	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06095	3-Methylsulfinylpropyl isothiocyanate	C5H9NOS2	163.01256	HMDB06095	PFEM_hmdb_metabocards_official	NA	NA
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	PFEM_hmdb_metabocards_urine	NA	urine
+JH054	Acetylcysteine [M+H]+	C5H9NO3S	163.0258	3.81	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH054	Acetylcysteine [M+H]+	C5H9NO3S	163.0258	3.81	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH054	Acetylcysteine [M+H]+	C5H9NO3S	163.0258	3.81	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	HMDB	NA	NA
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	Inhouse_PFEM	NA	NA
+JH054	Acetylcysteine [M+H]+	C5H9NO3S	163.0258	3.81	Inhousejuil11	NA	NA
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	PFEM_hmdb_metabocards_blood	NA	blood
+JH054	Acetylcysteine 	C5H9NO3S	163.0258	Rtobs3.81	PFEM_hmdb_metabocards_official	NA	NA
+MJ003389	2H-1,3-Benzoxazine-2,4(3H)-dione 	C8H5NO3	163.026943	NA	MeJP	NA	NA
+MJ003390	6-Octene-2,4-diynedioic acid, 1-Monoamide 	C8H5NO3	163.026943	NA	MeJP	NA	NA
+HMDB01890	Acetylcysteine	C5H9NO3S	163.0303	http://www.hmdb.ca/metabolites/HMDB01890	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01890	Acetylcysteine	C5H9NO3S	163.0303	http://www.hmdb.ca/metabolites/HMDB01890	HMDB	NA	NA
+C06809	Acetylcysteine	C5H9NO3S	163.0303	NA	KEGG	NA	NA
+HMDB01890	Acetylcysteine	C5H9NO3S	163.0303	http://www.hmdb.ca/metabolites/HMDB01890	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01890	Acetylcysteine	C5H9NO3S	163.0303	HMDB01890	PFEM_hmdb_metabocards_official	NA	NA
+MJ003391	Chondrine 	C5H9NO3S	163.030313	NA	MeJP	NA	NA
+MJ003392	N-Acetylcysteine 	C5H9NO3S	163.030313	NA	MeJP	NA	NA
+MJ003393	Tiopronin 	C5H9NO3S	163.030313	NA	MeJP	NA	NA
+MetaCyc01216	mercapturate [N-acetylcysteinyl conjugate;AcCySR;]	C5H9N1O3S1	163.030314	NA	metacyc	NA	NA
+HMDB01890	Acetylcysteine	C5H9NO3S	163.030319	NA	HMDB2010	NA	NA
+HMDB01890	Acetylcysteine	C5H9NO3S	163.03032	NA  ;SYN:(2R)-2-aminopentanedioate; (2R)-2-aminopentanedioic acid; (R)-2-aminopentanedioate; (R)-2-aminopentanedioic acid; D-2-Aminoglutarate; D-2-Aminoglutaric acid; D-2-Aminopentanedioate; D-2-Aminopentanedioic acid; D-Glutamate; D-Glutamic acid; D-Glutaminate; D-Glutaminic acid; D-Glutaminsaeure; DGL; Lopac-G-2128; R-(-)-Glutamate; R-(-)-Glutamic acid; Tocris-0217; glutamate;  glutamic acid D-form; Lopac-gamma-2128; delta-2-Aminoglutarate; delta-2-Aminoglutaric acid; delta-2-Aminopentanedioate; delta-2-Aminopentanedioic acid; delta-Glutamate; delta-Glutamic acid; delta-Glutaminate; delta-Glutaminic acid; delta-GlutaminsaeureH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ003394	2-Amino-5-chloro-4-hexenoic acid 	C6H10ClNO2	163.040006	NA	MeJP	NA	NA
+MJ003395	2-Amino-5-chloro-5-hexenoic acid 	C6H10ClNO2	163.040006	NA	MeJP	NA	NA
+MJ003396	1-Isothiocyanato-2-phenylethane 	C9H9NS	163.045569	NA	MeJP	NA	NA
+MJ003397	L-erythro-4-Hydroxyglutamate 	C5H9NO5	163.048072	NA	MeJP	NA	NA
+MJ003398	2-Amino-3-hydroxypentanedioic acid 	C5H9NO5	163.048072	NA	MeJP	NA	NA
+MJ003399	2-Amino-4-hydroxypentanedioic acid 	C5H9NO5	163.048072	NA	MeJP	NA	NA
+MJ003400	3-Amino-2-hydroxypentanedioic acid 	C5H9NO5	163.048072	NA	MeJP	NA	NA
+MJ003401	N-Carboxymethylserine 	C5H9NO5	163.048072	NA	MeJP	NA	NA
+MetaCyc01217	threo-3-hydroxy-glutamate []	C5H9N1O5	163.048072	NA	metacyc	NA	NA
+MetaCyc01218	3-hydroxy-L-glutamate [3-Hydroxy-L-glutamic acid;]	C5H9N1O5	163.048072	NA	metacyc	NA	NA
+MetaCyc01219	L-erythro-4-hydroxy-glutamate [4-Hydroxy-L-glutamate;erythro-4-hydroxyglutamate;4-Hydroxy-L-glutamic acid;]	C5H9N1O5	163.048072	NA	metacyc	NA	NA
+C03066	3-Hydroxy-L-glutamate	C5H9NO5	163.0481	NA	KEGG	NA	NA
+C03079	4-Hydroxy-L-glutamate	C5H9NO5	163.0481	NA	KEGG	NA	NA
+C05947	L-erythro-4-Hydroxyglutamate	C5H9NO5	163.0481	NA	KEGG	NA	NA
+C00715	Pterin	C6H5N5O	163.0494	NA	KEGG	NA	NA
+HMDB00802	Pterin	C6H5N5O	163.049408	NA	HMDB2010	NA	NA
+MJ003402	2-Amino-4-hydroxypteridine 	C6H5N5O	163.049409	NA	MeJP	NA	NA
+HMDB00802	Pterin	C6H5N5O	163.04941	http://www.hmdb.ca/metabolites/HMDB00802	HMDB	NA	NA
+MetaCyc01220	2-amino-4-hydroxypteridine []	C6H5N5O1	163.04941	2236-60-4	metacyc	NA	NA
+HMDB00802	Pterin	C6H5N5O	163.04941	HMDB00802	PFEM_hmdb_metabocards_official	NA	NA
+MJ003403	3-[[(Hydroxyamino)carbonyl]amino]alanine 	C4H9N3O4	163.059305	NA	MeJP	NA	NA
+MJ003404	Homoalanosine 	C4H9N3O4	163.059305	NA	MeJP	NA	NA
+C05834	3-Methyldioxyindole	C9H9NO2	163.0633	NA	KEGG	NA	NA
+HMDB01424	4-(3-Pyridyl)-3-butenoic acid	C9H9NO2	163.06332	http://www.hmdb.ca/metabolites/HMDB01424	HMDB	NA	NA
+HMDB04186	3-Methyldioxyindole	C9H9NO2	163.06332	http://www.hmdb.ca/metabolites/HMDB04186	HMDB	NA	NA
+HMDB01424	4-(3-Pyridyl)-3-butenoic acid	C9H9NO2	163.06332	HMDB01424	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04186	3-Methyldioxyindole	C9H9NO2	163.06332	HMDB04186	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01424	4-(3-Pyridyl)-3-butenoic acid	C9H9NO2	163.063324	NA	HMDB2010	NA	NA
+HMDB04186	3-Methyldioxyindole	C9H9NO2	163.063324	NA	HMDB2010	NA	NA
+MJ003405	3-Methyldioxyindole 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003406	3,4-Dihydro-1(2H)-isoquinolinone; N-Hydroxy 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003407	5-Phenyl-2-oxazolidinone 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003408	5-Vinyl-3-pyridinecarboxylic acid; Me ester 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003409	Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, Imide 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003410	Gentiana macrophylla Alkaloid B 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003411	Gentianidine 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003412	Homothallin 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003413	Isonitrinic acid F 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MJ003414	N-[2-(4-Hydroxyphenyl)ethenyl]formamide 	C9H9NO2	163.063328	NA	MeJP	NA	NA
+MetaCyc01221	5-(3-pyridyl)-tetrahydro-furan-2-one []	C9H9N1O2	163.063329	NA	metacyc	NA	NA
+MetaCyc01222	4-(3-pyridyl)-3-butenoate [4-(3-pyridyl)-3-butenoic acid;]	C9H9N1O2	163.063329	NA	metacyc	NA	NA
+HMDB02169	S-(2-carboxypropyl)-Cysteamine	C6H13NO2S	163.066696	NA	HMDB2010	NA	NA
+MJ003415	2-Amino-5-(methylthio)pentanoic acid 	C6H13NO2S	163.066699	NA	MeJP	NA	NA
+MJ003416	Cysteine, S-Propyl 	C6H13NO2S	163.066699	NA	MeJP	NA	NA
+MetaCyc01223	ethionine [D-ethionine;L-ethionine;]	C6H13N1O2S1	163.066699	13073-35-3	metacyc	NA	NA
+MetaCyc01224	homomethionine []	C6H13N1O2S1	163.066699	NA	metacyc	NA	NA
+HMDB02169	S-(2-carboxypropyl)-Cysteamine	C6H13NO2S	163.0667	http://www.hmdb.ca/metabolites/HMDB02169	HMDB	NA	NA
+C11227	Ethionine	C6H13NO2S	163.0667	NA	KEGG	NA	NA
+C17213	Homomethionine	C6H13NO2S	163.0667	NA	KEGG	NA	NA
+HMDB02169	S-(2-carboxypropyl)-Cysteamine	C6H13NO2S	163.0667	HMDB02169	PFEM_hmdb_metabocards_official	NA	NA
+7642	ACE inhibitor from porcine myosin (80-82)	NPP	163.07345	MH2+	Inhouse_peptide	NA	peptide
+10	Myosin	NPP	163.074	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc01225	p-cumate [cuminic acid;4-isopropylbenzoic acid;]	C10H11O2	163.075905	536-66-3	metacyc	NA	NA
+HMDB11727	Bicine	C6H13NO4	163.084457	NA	HMDB2010	NA	NA
+MJ003417	2-(Hydroxymethyl)-3,4,5-piperidinetriol 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003418	2-Amino-2,3-dideoxy-ribo-hexopyranose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003419	2-Amino-2,6-dideoxygalactose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003420	2-Amino-2,6-dideoxyglucose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003421	2-Amino-2,6-dideoxymannose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003422	2-Amino-2,6-dideoxytalose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003423	2-Amino-3,4-dihydroxybutanoic acid, 4-Et ether 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003424	2-Amino-4,5-dihydroxy-3-methylpentanoic acid 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003425	2-Amino-4,5-dihydroxy-4-methylpentanoic acid 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003426	3,4-Dihydroxy-2,5-bis(hydroxymethyl)pyrrolidine 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003427	3-Amino-3,6-dideoxyglucose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003428	3-Amino-3,6-dideoxymannose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003429	3-Deoxy-3-(methylamino)arabinose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003430	3-Deoxy-3-(methylamino)xylose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003431	4-Amino-4,6-dideoxygalactose; D-Pyranose-form 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003432	4-Amino-4,6-dideoxyglucose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003433	4-Amino-4,6-dideoxymannose 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MJ003434	Xantholamine 	C6H13NO4	163.084457	NA	MeJP	NA	NA
+MetaCyc01226	1,5-dideoxy-1,5-imino-D-galactitol []	C6H13N1O4	163.084458	NA	metacyc	NA	NA
+MetaCyc01227	1-deoxynojirimycin [DNJ;dNM;1,5-dideoxy-1,5-imino-D-glucitol;1,5-deoxy-1,5-imino-D-mannitol;(2R,3R,4R,5S)-2-hydroxymethyl-piperidine-3,4,5-triol;]	C6H13N1O4	163.084458	NA	metacyc	NA	NA
+C10141	Deoxymannojirimycin	C6H13NO4	163.0845	NA	KEGG	NA	NA
+C10143	DMDP	C6H13NO4	163.0845	NA	KEGG	NA	NA
+C15478	D-Fucosamine	C6H13NO4	163.0845	NA	KEGG	NA	NA
+C15479	D-Quinovosamine	C6H13NO4	163.0845	NA	KEGG	NA	NA
+C16843	Deoxynojirimycin	C6H13NO4	163.0845	NA	KEGG	NA	NA
+C17580	2-Deoxy-scyllo-inosamine	C6H13NO4	163.0845	NA	KEGG	NA	NA
+MetaCyc01228	1-ethyladenine []	C7H9N5	163.085795	NA	metacyc	NA	NA
+HMDB00473	6-Dimethylaminopurine	C7H9N5	163.0858	http://www.hmdb.ca/metabolites/HMDB00473	HMDB	NA	NA
+HMDB00473	6-Dimethylaminopurine	C7H9N5	163.0858	HMDB00473	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00473	6-Dimethylaminopurine	C7H9N5	163.0858	NA	HMDB2010	NA	NA
+MJ003435	2,3,5-Triamino-2,3,5-trideoxyarabinonic acid 	C5H13N3O3	163.095691	NA	MeJP	NA	NA
+CJpos0366	Phe Ser Ser Phe [(M+H)-(C2H3NO3)]+	C10H14NO	163.099175	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0366	Phe Ser § Ser Phe [(M+H)-(C2H3NO3)]+	C10H14NO	163.099175	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C04351	(R)-2-Methylimino-1-phenylpropan-1-ol	C10H13NO	163.0997	NA	KEGG	NA	NA
+C06746	N-Acetylphenylethylamine	C10H13NO	163.0997	NA	KEGG	NA	NA
+C11487	EPA	C10H13NO	163.0997	NA	KEGG	NA	NA
+MJ003436	1,2,3,4-Tetrahydro-6-isoquinolinol; Me ether 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003437	1,2,3,4-Tetrahydro-6-isoquinolinol; N-Me 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003438	1,2,3,4-Tetrahydro-7-isoquinolinol; Me ether 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003439	1,2,3,4-Tetrahydro-8-isoquinolinol; N-Me 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003440	1,2,3,4-Tetrahydro-8-quinolinol; N-Me 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003441	1-Phenyl-2-propylamine, N-Formyl 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003442	2-Aminoacetophenone; N,N-Di-Me 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003443	5,6-Dihydro-2-(1,3-pentadienyl)-4(1H)-pyridinone 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003444	Pediculinine 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MJ003445	Tecostidine 	C10H13NO	163.099714	NA	MeJP	NA	NA
+MetaCyc01229	N-acetylphenylethylamine [N-(2-phenylethyl)-acetamide;]	C10H13N1O1	163.099714	NA	metacyc	NA	NA
+HMDB03072	Quinic acid	C10H13NO	163.099716	NA	HMDB2010	NA	NA
+CJpos0367	Nicotine [(M+H)]+ (13C)	C913CH15N2	163.118475	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0367	Nicotine [(M+H)]+ (13C)	C913CH15N2	163.118475	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003446	1-Phenyl-2-propylamine, N-Et 	C11H17N	163.136099	NA	MeJP	NA	NA
+MJ003447	1-Phenyl-2-propylamine, N,N-Di-Me 	C11H17N	163.136099	NA	MeJP	NA	NA
+MJ003448	2-Methyl-3-phenyl-2-butylamine 	C11H17N	163.136099	NA	MeJP	NA	NA
+MJ003449	2-Phenylethylamine; N,N,N-Tri-Me 	C11H18N(+)	163.136099	NA	MeJP	NA	NA
+C07889	Mephentermine	C11H17N	163.1361	NA	KEGG	NA	NA
+2653	synthetic fr, of human beta-CN (168-170) ACE inhibitor	VLP	163.602	MH2+	Inhouse_peptide	NA	peptide
+3166	Diprotin B	VPL	163.602	MH2+	Inhouse_peptide	NA	peptide
+3350	Stimulating vasoactive substance release	VPL	163.602	MH2+	Inhouse_peptide	NA	peptide
+C06789	Tetrachloroethene	C2Cl4	163.8754	NA	KEGG	NA	NA
+MJ003450	Tetrachloroethene 	C2Cl4	163.87541	NA	MeJP	NA	NA
+MJ003451	Tetrachloroethylene 	C2Cl4	163.87541	NA	MeJP	NA	NA
+MetaCyc01230	tetrachloroethene [PCE;1,1,2,2-tetrachloroethylene;tetrachloroethylene;]	C2CL4	163.875411	127-18-4	metacyc	NA	NA
+HMDB12260	Molybdate	H2MoO4	163.900711	NA	HMDB2010	NA	NA
+MJ003452	2,2,2-Trichloro-1,1-ethanediol 	C2H3Cl3O2	163.919862	NA	MeJP	NA	NA
+C06899	Chloral hydrate	C2H3Cl3O2	163.9199	NA	KEGG	NA	NA
+C06900	Transferred to D00266	C2H3Cl3O2	163.9199	NA	KEGG	NA	NA
+C06901	Transferred to D00267	C2H3Cl3O2	163.9199	NA	KEGG	NA	NA
+C07517	Methoxyflurane	C3H4Cl2F2O	163.9607	NA	KEGG	NA	NA
+MJ003453	2,2-Dichloro-1,1-difluoro-1-methoxyethane 	C3H4Cl2F2O	163.960726	NA	MeJP	NA	NA
+CJneg0191	Glyceric acid [(M-H)+(NaCl)]-	C3H5ClNaO4	163.985825	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0191	Glyceric acid [(M-H)+(NaCl)]-	C3H5ClNaO4	163.985825	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003454	3-[(Carboxymethyl)thio]propanoic acid 	C5H8O4S	164.014329	NA	MeJP	NA	NA
+MJ003455	6-Diazo-5-oxo-1,3-cyclohexadiene-1-carboxylic acid 	C7H4N2O3	164.022192	NA	MeJP	NA	NA
+MJ003456	4-Chloro-3-oxobutanoic acid; Et ester 	C6H9ClO3	164.024021	NA	MeJP	NA	NA
+MJ003457	2-Hydroxy-2-(hydroxymethyl)butanedioic acid 	C5H8O6	164.032087	NA	MeJP	NA	NA
+MJ003458	Lyxuronic acid 	C5H8O6	164.032087	NA	MeJP	NA	NA
+MJ003459	Riburonic acid 	C5H8O6	164.032087	NA	MeJP	NA	NA
+C02928	2-Dehydro-D-xylonate	C5H8O6	164.0321	NA	KEGG	NA	NA
+C02929	2-Hydroxy carboxylate	C2H3O3R	164.0321	NA	KEGG	NA	NA
+MJ003460	1-Propenyl propyl disulfide, 4-Oxide 	C6H12OS2	164.032956	NA	MeJP	NA	NA
+MJ003461	1-Propenyl propyl disulfide, 5-Oxide 	C6H12OS2	164.032956	NA	MeJP	NA	NA
+MJ003462	1-Propenyl propyl disulfide, 4-Oxide 	C6H12OS2	164.032956	NA	MeJP	NA	NA
+MJ003463	1-Propenyl propyl disulfide, 5-Oxide 	C6H12OS2	164.032956	NA	MeJP	NA	NA
+MJ003464	2-Propenyl propyl disulfide; 4-Oxide 	C6H12OS2	164.032956	NA	MeJP	NA	NA
+C03212	2,4-Dihydroxypteridine	C6H4N4O2	164.0334	NA	KEGG	NA	NA
+MetaCyc01231	2,4-dihydroxypteridine []	C6H4N4O2	164.033425	487-21-8	metacyc	NA	NA
+MJ003465	5-Chlorohexahydro-3-pyridazinecarboxylic acid 	C5H9ClN2O2	164.035255	NA	MeJP	NA	NA
+JH103	Tyrosine [M+H-NH3]+	NA	164.0426	1.65	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH103	Tyrosine [M+H-NH3]+	NA	164.0426	1.65	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH103	Tyrosine [M+H-NH3]+	NA	164.0426	1.65	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH103	Tyrosine [M+H-NH3]+	NA	164.0426	1.65	Inhousejuil11	NA	NA
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR419	Tyrosine F2	NA	164.044475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR419	Tyrosine F2	NA	164.044475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR419	Tyrosine F2	NA	164.044475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR419	Tyrosine F2	NA	164.044475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR419	Tyrosine F2	F2	164.044475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0368	Tyrosine [(M+H)-(NH3)]+	C9H9O3	164.046775	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0368	Tyrosine [(M+H)-(NH3)]+	C9H9O3	164.046775	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	PFEM_hmdb_metabocards_urine	NA	urine
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	HMDB	NA	NA
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	Inhouse_PFEM	NA	NA
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	13.89	Inhousejuil11	NA	NA
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	PFEM_hmdb_metabocards_blood	NA	blood
+JH057	Coumaric acid (p-) [M+H]+	C9H8O3	164.0468	Rtobs13.89	PFEM_hmdb_metabocards_official	NA	NA
+C00166	Phenylpyruvate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C00811	4-Coumarate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C00812	Alkyl thiol	HSR	164.0473	NA	KEGG	NA	NA
+C01772	trans-2-Hydroxycinnamate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C01775	Actinomycin	C9H8O3	164.0473	NA	KEGG	NA	NA
+C02763	2-Hydroxy-3-phenylpropenoate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C02764	tRNA pseudouridine	C9H13N2O9P	164.0473	NA	KEGG	NA	NA
+C05838	cis-2-Hydroxycinnamate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C06738	cis-p-Coumarate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C07114	Benzoyl acetate	C9H8O3	164.0473	NA	KEGG	NA	NA
+C10945	Caffeic aldehyde	C9H8O3	164.0473	NA	KEGG	NA	NA
+C12621	3-Coumaric acid	C9H8O3	164.0473	NA	KEGG	NA	NA
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB00205	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB00205	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB00205	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB00205	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB00205	HMDB	NA	NA
+HMDB01713	m-Coumaric acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB01713	HMDB	NA	NA
+HMDB02035	4-Hydroxycinnamic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB02035	HMDB	NA	NA
+HMDB02641	2-Hydroxycinnamic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB02641	HMDB	NA	NA
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	http://www.hmdb.ca/metabolites/HMDB00205	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.04733	HMDB00205	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01713	m-Coumaric acid	C9H8O3	164.04733	HMDB01713	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02035	4-Hydroxycinnamic acid	C9H8O3	164.04733	HMDB02035	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02641	2-Hydroxycinnamic acid	C9H8O3	164.04733	HMDB02641	PFEM_hmdb_metabocards_official	NA	NA
+MJ003466	2-Coumarate 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003467	4-Coumarate 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003468	Benzoyl acetate 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003469	Phenylpyruvate 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003470	cis-2-Hydroxy cinnamate 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003471	enol-Phenylpyruvate 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003472	2-Oxo-3-phenylpropanoic acid 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003473	3',4'-Methylenedioxyacetophenone 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003474	3-(2-Hydroxyphenyl)-2-propenoic acid 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003475	3-(3-Hydroxyphenoxy)-2-propenal 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003476	3-(3-Hydroxyphenyl)-2-propenoic acid 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003477	3-(4-Hydroxyphenyl)-2-propenoic acid 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003478	4,6,8-Nonatriyne-1,2,3-triol 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003479	5-Acetyl-2-hydroxybenzaldehyde 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003480	7-Hydroxy-4-methyl-1(3H)-isobenzofuranone 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003481	8-Hydroxy-1H-2-benzopyran-1-one; 3,4-Dihydro 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MJ003482	9-Hydroxy-7-nonene-3,5-diynoic acid 	C9H8O3	164.047344	NA	MeJP	NA	NA
+MetaCyc01232	phenylpyruvate [phenylpyruvate;phenylpyruvic acid;&alpha;-ketohydrocinnamic acid;3-phenyl-2-oxopropanoate;keto-phenylpyruvate;]	C9H8O3	164.047344	156-06-9	metacyc	NA	NA
+MetaCyc01233	enol-phenylpyruvate []	C9H8O3	164.047344	5801-57-0	metacyc	NA	NA
+MetaCyc01234	4-coumarate [p-coumarate;trans-4-hydroxycinnamate;p-coumaric acid;4-Hydroxycinnamic acid;4-Hydroxycinnamate;coumarate;]	C9H8O3	164.047344	7400-08-0	metacyc	NA	NA
+MetaCyc01235	cis-p-coumarate []	C9H8O3	164.047344	NA	metacyc	NA	NA
+MetaCyc01236	benzoyl-acetate []	C9H8O3	164.047344	NA	metacyc	NA	NA
+MetaCyc01237	2-coumarate [2-Hydroxycinnamate;trans-2-hydroxycinnamate;]	C9H8O3	164.047344	NA	metacyc	NA	NA
+MetaCyc01238	coumarinate [coumarinic acid;]	C9H8O3	164.047344	NA	metacyc	NA	NA
+HMDB00205	Phenylpyruvic acid	C9H8O3	164.047348	NA	HMDB2010	NA	NA
+HMDB01713	m-Coumaric acid	C9H8O3	164.047348	NA	HMDB2010	NA	NA
+HMDB02035	4-Hydroxycinnamic acid	C9H8O3	164.047348	NA	HMDB2010	NA	NA
+HMDB02641	2-Hydroxycinnamic acid	C9H8O3	164.047348	NA	HMDB2010	NA	NA
+HMDB12225	Enol-phenylpyruvate	C9H8O3	164.047348	NA	HMDB2010	NA	NA
+JH200	Epicatechin [M+H-OH-C6H5O2]+	NA	164.0477	11.82	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH200	Epicatechin [M+H-OH-C6H5O2]+	NA	164.0477	11.82	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH200	Epicatechin [M+H-OH-C6H5O2]+	NA	164.0477	11.82	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH200	Epicatechin [M+H-OH-C6H5O2]+	NA	164.0477	11.82	Inhousejuil11	NA	NA
+JH203	Catechin (fragment3)	NA	164.0478	11.34	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH203	Catechin (fragment3)	NA	164.0478	11.34	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH203	Catechin (fragment3)	NA	164.0478	11.34	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH203	Catechin (fragment3)	NA	164.0478	11.34	Inhousejuil11	NA	NA
+MJ003483	3-Dimethylsulfonio 2-methoxypropanoate 	C6H12O3S	164.050714	NA	MeJP	NA	NA
+MJ003484	4-Aminobenzaldehyde; N-Me, N-nitroso 	C8H8N2O2	164.058577	NA	MeJP	NA	NA
+MJ003485	Aldisin 	C8H8N2O2	164.058577	NA	MeJP	NA	NA
+MJ003486	Ricinine 	C8H8N2O2	164.058577	NA	MeJP	NA	NA
+MetaCyc01239	ricinine []	C8H8N2O2	164.058578	524-40-3	metacyc	NA	NA
+C01526	Ricinine	C8H8N2O2	164.0586	NA	KEGG	NA	NA
+MJ003487	S-(2-Aminoethyl)cysteine 	C5H12N2O2S	164.061948	NA	MeJP	NA	NA
+C08456	1-Phenylhepta-1,3,5-triyne	C13H8	164.0626	NA	KEGG	NA	NA
+MJ003488	1,11-Tridecadiene-3,5,7,9-tetrayne 	C13H8	164.0626	NA	MeJP	NA	NA
+MJ003489	1,12-Tridecadiene-3,5,7,9-tetrayne 	C13H8	164.0626	NA	MeJP	NA	NA
+MJ003490	1,3-Tridecadiene-5,7,9,11-tetrayne 	C13H8	164.0626	NA	MeJP	NA	NA
+MJ003491	1-Phenyl-1,3,5-heptatriyne 	C13H8	164.0626	NA	MeJP	NA	NA
+3556	ACE inhibitor	FY	164.0655	MH2+	Inhouse_peptide	NA	peptide
+HMDB00174	L-Fucose	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB00174	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02712	1,5-Anhydrosorbitol	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB02712	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00174	L-Fucose	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB00174	HMDB	NA	NA
+HMDB00849	Rhamnose	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB00849	HMDB	NA	NA
+HMDB02712	1,5-Anhydrosorbitol	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB02712	HMDB	NA	NA
+HMDB03081	beta-D-Fucose	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB03081	HMDB	NA	NA
+HMDB00174	L-Fucose	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB00174	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02712	1,5-Anhydrosorbitol	C6H12O5	164.06847	http://www.hmdb.ca/metabolites/HMDB02712	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00174	L-Fucose	C6H12O5	164.06847	HMDB00174	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00849	Rhamnose	C6H12O5	164.06847	HMDB00849	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02712	1,5-Anhydrosorbitol	C6H12O5	164.06847	HMDB02712	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03081	beta-D-Fucose	C6H12O5	164.06847	HMDB03081	PFEM_hmdb_metabocards_official	NA	NA
+MJ003492	1,5-Anhydroglucitol 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003493	1,5-Anhydromannitol 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003494	2-Deoxy-arabino-hexose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003495	2-O-Methylxylose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003496	3-O-Methylxylose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003497	5-Deoxy-3-C-hydroxymethyllyxose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003498	6-Deoxyallose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003499	6-Deoxyaltrose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003500	6-Deoxyglucose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003501	6-Deoxygulose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003502	6-Deoxytalose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003503	Fucose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003504	Rhamnose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003505	Ribose, 3-Me 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003506	Starch; Unbranched-form 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003507	muco-Quercitol 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003508	proto-Quercitol 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003509	vibo-Quercitol 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003510	6-Deoxy-D-galactose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003511	6-Deoxy-L-galactose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003512	L-Fuculose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003513	L-Rhamnofuranose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003514	L-Rhamnose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MJ003515	L-Rhamnulose 	C6H12O5	164.068473	NA	MeJP	NA	NA
+MetaCyc01240	L-rhamnofuranose []	C6H12O5	164.068473	NA	metacyc	NA	NA
+MetaCyc01241	2-deoxyglucose []	C6H12O5	164.068473	NA	metacyc	NA	NA
+MetaCyc01242	2-deoxy-D-glucose []	C6H12O5	164.068473	154-17-6	metacyc	NA	NA
+MetaCyc01243	1,5-anhydro-D-glucitol [1,5-anhydro-D-sorbitol;1,5-anhydroglucitol;]	C6H12O5	164.068473	NA	metacyc	NA	NA
+MetaCyc01244	L-rhamnose [6-deoxy-L-mannose;rhamnose;L-mannomethylose;isodulcit;]	C6H12O5	164.068473	3615-41-6	metacyc	NA	NA
+MetaCyc01245	L-fuculose [fuculose;]	C6H12O5	164.068473	13074-08-3	metacyc	NA	NA
+MetaCyc01246	L-fucose [fucose;6-deoxy-L-galactose;L-galactomethylose;]	C6H12O5	164.068473	2438-80-4	metacyc	NA	NA
+MetaCyc01247	2-deoxy-D-galactose [2-deoxy-D-lyxohexose;deoxygalactose;]	C6H12O5	164.068473	NA	metacyc	NA	NA
+MetaCyc01248	rhamnulose [L-rhamnulose;]	C6H12O5	164.068473	14807-05-7	metacyc	NA	NA
+MetaCyc01249	1-O-methyl-&beta;-D-xylopyranose [methyl &beta;-D-xyloside;methyl &beta;-D-xylopyranoside;]	C6H12O5	164.068473	612-05-5	metacyc	NA	NA
+HMDB00174	L-Fucose	C6H12O5	164.068481	NA	HMDB2010	NA	NA
+HMDB00849	Rhamnose	C6H12O5	164.068481	NA	HMDB2010	NA	NA
+HMDB02712	1,5-Anhydrosorbitol	C6H12O5	164.068481	NA	HMDB2010	NA	NA
+HMDB03081	Beta-D-Fucose	C6H12O5	164.068481	NA	HMDB2010	NA	NA
+HMDB10207	L-Rhamnulose	C6H12O5	164.068481	NA	HMDB2010	NA	NA
+HMDB12327	2-Deoxygalactopyranose	C6H12O5	164.068481	NA	HMDB2010	NA	NA
+C00507	L-Rhamnose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C00586	2-Deoxy-D-glucose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C00861	L-Rhamnulose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C01018	6-Deoxy-D-galactose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C01019	6-Deoxy-L-galactose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C01684	D-Rhamnose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C01721	L-Fuculose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C02095	beta-D-Fucose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C02338	beta-L-Rhamnose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C02339	m7G(5')pppR-RNA	C21H34N5O23P4R2	164.0685	NA	KEGG	NA	NA
+C02431	L-Rhamnofuranose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C02434	Long-chain ester	C2H2O2R2	164.0685	NA	KEGG	NA	NA
+C02436	Methylated amine	CH4NR	164.0685	NA	KEGG	NA	NA
+C02440	N-Desulfoheparin	CH4NR	164.0685	NA	KEGG	NA	NA
+C02476	alpha-L-Rhamnose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C02522	6-Deoxy-D-glucose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C02525	Aliphatic alcohol	HOR	164.0685	NA	KEGG	NA	NA
+C02781	2-Deoxy-D-galactose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C07326	1,5-Anhydro-D-glucitol	C6H12O5	164.0685	NA	KEGG	NA	NA
+C08258	(+)-Quercitol	C6H12O5	164.0685	NA	KEGG	NA	NA
+C08259	(-)-Viburnitol	C6H12O5	164.0685	NA	KEGG	NA	NA
+C08352	alpha-D-Quinovopyranose	C6H12O5	164.0685	NA	KEGG	NA	NA
+C16538	1,5-Anhydro-D-mannitol	C6H12O5	164.0685	NA	KEGG	NA	NA
+CJneg0192	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)+(HCOOH)]-	C6H11O5	164.069025	C18rt(min)=4.06 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0193	Deoxyhexose [(M-H)]-	C6H11O5	164.069025	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0194	2-hydroxy-3-methylbutyric acid  [(M-H)+(HCOOH)]-	C6H11O5	164.069025	C18rt(min)=4.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0195	2-hydroxy-2-methylbutyric acid [(M-H)+(HCOOH)]-	C6H11O5	164.069025	C18rt(min)=4.58 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0192	3-hydroxy-3-methylbutyric acid (3-hydroxyisovaleric acid) [(M-H)+(HCOOH)]-	C6H11O5	164.069025	C18rt(min)=4.06 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0193	Deoxyhexose [(M-H)]-	C6H11O5	164.069025	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0194	2-hydroxy-3-methylbutyric acid  [(M-H)+(HCOOH)]-	C6H11O5	164.069025	C18rt(min)=4.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0195	2-hydroxy-2-methylbutyric acid [(M-H)+(HCOOH)]-	C6H11O5	164.069025	C18rt(min)=4.58 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003516	Butyl isopropyl disulfide 	C7H16S2	164.069341	NA	MeJP	NA	NA
+MJ003517	Butyl propyl disulfide 	C7H16S2	164.069341	NA	MeJP	NA	NA
+MJ003518	Isopropyl 1-methylpropyl disulfide 	C7H16S2	164.069341	NA	MeJP	NA	NA
+MJ003519	6-Purinol; 1,9-Dihydro-form, 1,9-Di-Me 	C7H8N4O	164.06981	NA	MeJP	NA	NA
+C03172	S-Methyl-L-methionine	C6H14NO2S	164.0745	NA	KEGG	NA	NA
+MJ003520	S-Methylmethionine 	C6H14NO2S	164.074524	NA	MeJP	NA	NA
+MetaCyc01250	S-methyl-L-methionine [S-methylmethionine;]	C6H14N1O2S1	164.074524	4727-40-6	metacyc	NA	NA
+MJ003521	Dametralast 	C6H8N6	164.081044	NA	MeJP	NA	NA
+C06578	p-Cumate	C10H12O2	164.0837	NA	KEGG	NA	NA
+C09858	Evodone	C10H12O2	164.0837	NA	KEGG	NA	NA
+C09904	beta-Thujaplicin	C10H12O2	164.0837	NA	KEGG	NA	NA
+C09905	gamma-Thujaplicin	C10H12O2	164.0837	NA	KEGG	NA	NA
+C10453	Eugenol	C10H12O2	164.0837	NA	KEGG	NA	NA
+C10469	Isoeugenol	C10H12O2	164.0837	NA	KEGG	NA	NA
+C12303	Phenethyl acetate	C10H12O2	164.0837	NA	KEGG	NA	NA
+HMDB05809	Eugenol	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB05809	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00329	2-Phenylbutyric acid	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB00329	HMDB	NA	NA
+HMDB00543	Benzenebutanoic acid	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB00543	HMDB	NA	NA
+HMDB01955	3-Phenylbutyric acid	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB01955	HMDB	NA	NA
+HMDB05802	Isoeugenol	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB05802	HMDB	NA	NA
+HMDB05809	Eugenol	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB05809	HMDB	NA	NA
+HMDB05809	Eugenol	C10H12O2	164.08372	http://www.hmdb.ca/metabolites/HMDB05809	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00329	2-Phenylbutyric acid	C10H12O2	164.08372	HMDB00329	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00543	Benzenebutanoic acid	C10H12O2	164.08372	HMDB00543	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01955	3-Phenylbutyric acid	C10H12O2	164.08372	HMDB01955	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05802	Isoeugenol	C10H12O2	164.08372	HMDB05802	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05809	Eugenol	C10H12O2	164.08372	HMDB05809	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00329	2-Phenylbutyric acid	C10H12O2	164.083725	NA	HMDB2010	NA	NA
+HMDB00543	Benzenebutanoic acid	C10H12O2	164.083725	NA	HMDB2010	NA	NA
+HMDB01955	3-Phenylbutyric acid	C10H12O2	164.083725	NA	HMDB2010	NA	NA
+HMDB05802	Isoeugenol	C10H12O2	164.083725	NA	HMDB2010	NA	NA
+HMDB05809	Eugenol	C10H12O2	164.083725	NA	HMDB2010	NA	NA
+MJ003522	p-Cumate 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003523	1-(4-Hydroxyphenyl)-2-propanone; Me ether 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003524	10-Hydroxy-4,6-decadiyn-3-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003525	2,3,4-Trimethylbenzoic acid 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003526	2,3,6-Trimethylbenzoic acid 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003527	2-Decene-4,6-diyne-1,10-diol 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003528	2-Hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003529	2-Hydroxy-4(6)-isopropyl-2,4,6-cycloheptatrien-1-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003530	2-Hydroxy-4-isopropylbenzaldehyde 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003531	2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003532	2-Methoxy-4-(1-propenyl)phenol 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003533	2-Methoxy-4-(2-propenyl)phenol 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003534	2-Methoxy-5-(1-propenyl)phenol 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003535	2-Methoxy-5-(2-propenyl)phenol 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003536	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003537	3-Carene-2,5-dione 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003538	3-Hydroxy-4-phenyl-2-butanone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003539	3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003540	3-Oxo-p-mentha-1,4(8)-dien-7-al 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003541	3-Oxo-p-mentha-1,8-dien-7-al 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003542	4,6-Decadiynoic acid 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003543	4-(1-Propenyl)phenol, 1',2'-Epoxide, Me ether 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003544	4-(2-Hydroxyphenyl)-2-butanone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003545	4-(4-Hydroxyphenyl)-2-butanone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003546	4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003547	4-Isopropylbenzoic acid 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003548	4-Vinyl-1,2-benzenediol; Di-Me ether 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003549	4-Vinyl-1,3-benzenediol; Di-Me ether 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003550	5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003551	5-(1-Butenyl)-6-methyl-2H-pyran-2-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003552	5-(4-Hexen-2-ynyl)dihydro-2(5H)-furanone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003553	5-Pentyl-2-furancarboxaldehyde; 4',5'-Didehydro 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003554	6-(1-Pentenyl)-2H-pyran-2-one 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003555	Benzoic acid; Isopropyl ester 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003556	Benzoic acid; Propyl ester 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003557	Egomaketone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003558	Elsholtzione; 2',3'-Didehydro 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003559	Evodone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003560	Isoegomaketone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003561	Lepalone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003562	Nepetalactone, 7,8-Didehydro 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003563	Perillenal 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003564	Phenylacetic acid; Et ester 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003565	Plagiolactone 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MJ003566	p-Mentha-3,6-diene-2,5-dione 	C10H12O2	164.083729	NA	MeJP	NA	NA
+MetaCyc01251	isoeugenol []	C10H12O2	164.08373	NA	metacyc	NA	NA
+MetaCyc01252	eugenol []	C10H12O2	164.08373	NA	metacyc	NA	NA
+3047	inhibitor of fibrinogen and thrombin coagulation	GPR	164.087	MH2+	Inhouse_peptide	NA	peptide
+3378	ACE inhibitor	GRP	164.087	MH2+	Inhouse_peptide	NA	peptide
+HMDB12246	Kynuramine	C9H12N2O	164.094955	NA	HMDB2010	NA	NA
+MJ003567	3-(2-Azetidinylmethoxy)pyridine 	C9H12N2O	164.094963	NA	MeJP	NA	NA
+MJ003568	Kynuramine 	C9H12N2O	164.094963	NA	MeJP	NA	NA
+MJ003569	Phenylalanine, Amide 	C9H12N2O	164.094963	NA	MeJP	NA	NA
+MetaCyc01253	kynuramine [diaminopropiophenone;]	C9H12N2O1	164.094963	NA	metacyc	NA	NA
+C11224	Fenuron	C9H12N2O	164.095	NA	KEGG	NA	NA
+C08490	Jasmone	C11H16O	164.1201	NA	KEGG	NA	NA
+C14226	p-tert-Amylphenol	C11H16O	164.1201	NA	KEGG	NA	NA
+C14466	4-n-Pentylphenol	C11H16O	164.1201	NA	KEGG	NA	NA
+C14697	4-Isopentylphenol	C11H16O	164.1201	NA	KEGG	NA	NA
+MJ003570	1-Phenyl-1-pentanol 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003571	2,5,6,6-Tetramethyl-1,3-cyclohexadienecarboxaldehyde 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003572	2-(4-Methylphenyl)-2-propanol; Me ether 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003573	2-Isopropyl-5-methylphenol; Me ether 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003574	3-Isopropyl-2-methylphenol; Me ether 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003575	3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003576	4-Butyl-2,6-cycloheptadienone 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003577	5-Isopropyl-2-methylphenol; Me ether 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003578	6-Butyl-2,4-cycloheptadienone 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003579	Norbicycloekasantalal 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003580	Norecasantalol; Aldehyde 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003581	Santalone 	C11H16O	164.120115	NA	MeJP	NA	NA
+MJ003582	1',3,4,4',5,5',6,6'-Octahydro-2,3'-bipyridine 	C10H16N2	164.131348	NA	MeJP	NA	NA
+MJ003583	1-Methyl-1-(1-methyl-2-phenylethyl)hydrazine 	C10H16N2	164.131348	NA	MeJP	NA	NA
+MJ003584	3-Butyl-2,5-dimethylpyrazine 	C10H16N2	164.131348	NA	MeJP	NA	NA
+MJ003585	11,12,13-Trinor-5-eudesmene 	C12H20	164.1565	NA	MeJP	NA	NA
+MJ003586	4-Isopropylidene-1-methyl-1-vinylcyclohexane 	C12H20	164.1565	NA	MeJP	NA	NA
+MJ003587	5-Ethyl-3-methyl-2,4,6-nonatriene 	C12H20	164.1565	NA	MeJP	NA	NA
+CJneg0196	Oxoproline [(M+Cl)]-	C5H7ClNO3	165.019825	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0196	Oxoproline [(M+Cl)]-	C5H7ClNO3	165.019825	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003588	4-Hydroxybenzyl isothiocyanate 	C8H7NOS	165.024834	NA	MeJP	NA	NA
+C17243	4-Methylthiobutylthiohydroximate	C5H11NOS2	165.0282	NA	KEGG	NA	NA
+MetaCyc01254	4-methylthiobutylhydroximate [4-methylthiobutylhydroxamic-acid;]	C5H11N1O1S2	165.028205	NA	metacyc	NA	NA
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	HMDB	NA	NA
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	Inhouse_PFEM	NA	NA
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC012	Methionine sulfoxide	C5H11NO3S	165.0358	RT4.6	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00867	Ribonic acid	C5H9O6	165.03992	http://www.hmdb.ca/metabolites/HMDB00867	HMDB	NA	NA
+HMDB00867	Ribonic acid	C5H9O6	165.03992	HMDB00867	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01255	3-methylxanthine []	C6H5N4O2	165.04125	NA	metacyc	NA	NA
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR328	Acide 4-pyridoxique F2	NA	165.041875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR328	Acide 4-pyridoxique F2	NA	165.041875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR328	Acide 4-pyridoxique F2	NA	165.041875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR328	Acide 4-pyridoxique F2	NA	165.041875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR328	Acide 4-pyridoxique F2	F2	165.041875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0369	4-Pyridoxic acid  isomer [(M+H)-(H2O)]+	C8H8NO3	165.042075	C18rt(min)=5.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0370	4-Pyridoxic acid  isomer [(M+H)-(H2O)]+	C8H8NO3	165.042075	C18rt(min)=4.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0369	4-Pyridoxic acid  isomer [(M+H)-(H2O)]+	C8H8NO3	165.042075	C18rt(min)=5.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0370	4-Pyridoxic acid  isomer [(M+H)-(H2O)]+	C8H8NO3	165.042075	C18rt(min)=4.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03454	4-Pyridoxolactone	C8H7NO3	165.042587	NA	HMDB2010	NA	NA
+HMDB04089	Formylanthranilic acid	C8H7NO3	165.042587	NA	HMDB2010	NA	NA
+HMDB04291	5-Pyridoxolactone	C8H7NO3	165.042587	NA	HMDB2010	NA	NA
+HMDB03454	4-Pyridoxolactone	C8H7NO3	165.04259	http://www.hmdb.ca/metabolites/HMDB03454	HMDB	NA	NA
+HMDB04089	Formylanthranilic acid	C8H7NO3	165.04259	http://www.hmdb.ca/metabolites/HMDB04089	HMDB	NA	NA
+HMDB04291	5-Pyridoxolactone	C8H7NO3	165.04259	http://www.hmdb.ca/metabolites/HMDB04291	HMDB	NA	NA
+HMDB03454	4-Pyridoxolactone	C8H7NO3	165.04259	HMDB03454	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04089	Formylanthranilic acid	C8H7NO3	165.04259	HMDB04089	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04291	5-Pyridoxolactone	C8H7NO3	165.04259	HMDB04291	PFEM_hmdb_metabocards_official	NA	NA
+MJ003589	2,3-Dihydro-1-oxo-1H-pyrrolizine-3-carboxylic acid 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003590	2-(4-Hydroxyphenyl)-2-oxoacetaldehyde; 1-Oxime(E-) 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003591	2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003592	6,7-Dihydro-4H-furo[2,3-c]azepine-4,8(5H)-dione 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003593	6-Methoxy-2(3H)-benzoxazolone 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003594	4-Pyridoxolactone 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003595	5-Pyridoxolactone 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MJ003596	Formylanthranilate 	C8H7NO3	165.042593	NA	MeJP	NA	NA
+MetaCyc01256	N-formylanthranilate []	C8H7N1O3	165.042593	3342-77-6	metacyc	NA	NA
+MetaCyc01257	HBOA [2-hydroxy-2H-1,4-benzoxazin-3(4H)-one;]	C8H7N1O3	165.042593	NA	metacyc	NA	NA
+MetaCyc01258	4-pyridoxolactone []	C8H7N1O3	165.042593	NA	metacyc	NA	NA
+MetaCyc01259	isatinate [&alpha;-aminophenyl glyoxylate;]	C8H7N1O3	165.042593	NA	metacyc	NA	NA
+C00971	4-Pyridoxolactone	C8H7NO3	165.0426	NA	KEGG	NA	NA
+C00972	Aromatic oxo acid	C3H3O3R	165.0426	NA	KEGG	NA	NA
+C00973	Cyclomaltodextrin	C18H30O15	165.0426	NA	KEGG	NA	NA
+C02803	4-Nitroacetophenone	C8H7NO3	165.0426	NA	KEGG	NA	NA
+C03757	3,4-Dihydroxymandelonitrile	C8H7NO3	165.0426	NA	KEGG	NA	NA
+C05653	Formylanthranilate	C8H7NO3	165.0426	NA	KEGG	NA	NA
+C06052	5-Pyridoxolactone	C8H7NO3	165.0426	NA	KEGG	NA	NA
+C15769	HBOA	C8H7NO3	165.0426	NA	KEGG	NA	NA
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	PFEM_hmdb_metabocards_urine	NA	urine
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	HMDB	NA	NA
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.045959	NA	HMDB2010	NA	NA
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	Inhouse_PFEM	NA	NA
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	PFEM_hmdb_metabocards_blood	NA	blood
+TEST009	Methionine sulfoxide	C5H11NO3S	165.045959	http://www.hmdb.ca/metabolites/HMDB02005	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	http://www.hmdb.ca/metabolites/HMDB02005	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	http://www.hmdb.ca/metabolites/HMDB02005	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	http://www.hmdb.ca/metabolites/HMDB02005	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	http://www.hmdb.ca/metabolites/HMDB02005	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	http://www.hmdb.ca/metabolites/HMDB02005	HMDB	NA	NA
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	NA  ;SYN:(2R)-2-amino-3-hydroxypropanoate; (2R)-2-amino-3-hydroxypropanoic acid; (R)-2-amino-3-hydroxypropanoate; (R)-2-amino-3-hydroxypropanoic acid; D-Serin; DL-Serine; DSN; Serine D-formH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	http://www.hmdb.ca/metabolites/HMDB02005	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02005	Methionine sulfoxide	C5H11NO3S	165.04596	HMDB02005	PFEM_hmdb_metabocards_official	NA	NA
+MJ003597	L-Methionine S-oxide 	C5H11NO3S	165.045963	NA	MeJP	NA	NA
+MJ003598	2-Amino-4-(hydroxymethylthio)butanoic acid 	C5H11NO3S	165.045963	NA	MeJP	NA	NA
+MJ003599	Cysteine, S-Et, S-oxide 	C5H11NO3S	165.045963	NA	MeJP	NA	NA
+MJ003600	Methionine sulfoxide; (S)C(S)S-form 	C5H11NO3S	165.045963	NA	MeJP	NA	NA
+MetaCyc01260	L-methionine sulfoxide [L-methionine-S-sulfoxide;L-methionine S-oxide;methionine sulfoxide;]	C5H11N1O3S1	165.045964	454-41-1	metacyc	NA	NA
+C02989	L-Methionine S-oxide	C5H11NO3S	165.046	NA	KEGG	NA	NA
+C15998	L-Methionine (R)-S-oxide	C5H11NO3S	165.046	NA	KEGG	NA	NA
+C15999	L-Methionine (S)-S-oxide	C5H11NO3S	165.046	NA	KEGG	NA	NA
+C16000	Urodilatin	C5H11NO3S	165.046	NA	KEGG	NA	NA
+MJ003601	3,5-Pyridinedicarboxylic acid; Diamide 	C7H7N3O2	165.053826	NA	MeJP	NA	NA
+MJ003602	2-Amino-3,4,5-trihydroxypentanoic acid 	C5H11NO5	165.063722	NA	MeJP	NA	NA
+MJ003603	Xylonic acid, Amide 	C5H11NO5	165.063722	NA	MeJP	NA	NA
+CJpos0371	N2-methylguanosine [(M+H)-(C5H8O4)]+	C6H8N5O	165.064475	C18rt(min)=4.52 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0371	N2-methylguanosine [(M+H)-(C5H8O4)]+	C6H8N5O	165.064475	C18rt(min)=4.52 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003604	1-Methylguanine 	C6H7N5O	165.065059	NA	MeJP	NA	NA
+MJ003605	6-Amino-2-hydroxypurine; 6-N-Me 	C6H7N5O	165.065059	NA	MeJP	NA	NA
+MJ003606	Guanine; N2-Me 	C6H7N5O	165.065059	NA	MeJP	NA	NA
+HMDB00897	7-Methylguanine	C6H7N5O	165.06506	http://www.hmdb.ca/metabolites/HMDB00897	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00897	7-Methylguanine	C6H7N5O	165.06506	http://www.hmdb.ca/metabolites/HMDB00897	HMDB	NA	NA
+HMDB01566	3-Methylguanine	C6H7N5O	165.06506	http://www.hmdb.ca/metabolites/HMDB01566	HMDB	NA	NA
+HMDB03282	1-Methylguanine	C6H7N5O	165.06506	http://www.hmdb.ca/metabolites/HMDB03282	HMDB	NA	NA
+HMDB06040	N2-Methylguanine	C6H7N5O	165.06506	http://www.hmdb.ca/metabolites/HMDB06040	HMDB	NA	NA
+HMDB00897	7-Methylguanine	C6H7N5O	165.06506	http://www.hmdb.ca/metabolites/HMDB00897	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00897	7-Methylguanine	C6H7N5O	165.06506	HMDB00897	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01566	3-Methylguanine	C6H7N5O	165.06506	HMDB01566	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03282	1-Methylguanine	C6H7N5O	165.06506	HMDB03282	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06040	N2-Methylguanine	C6H7N5O	165.06506	HMDB06040	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00897	7-Methylguanine	C6H7N5O	165.065063	NA	HMDB2010	NA	NA
+HMDB01566	3-Methylguanine	C6H7N5O	165.065063	NA	HMDB2010	NA	NA
+HMDB03282	1-Methylguanine	C6H7N5O	165.065063	NA	HMDB2010	NA	NA
+HMDB06040	N2-Methylguanine	C6H7N5O	165.065063	NA	HMDB2010	NA	NA
+C02230	3-Methylguanine	C6H7N5O	165.0651	NA	KEGG	NA	NA
+C02242	7-Methylguanine	C6H7N5O	165.0651	NA	KEGG	NA	NA
+7641	ACE inhibitor from porcine myosin (308-310)	TNP	165.07095	MH2+	Inhouse_peptide	NA	peptide
+8254	ACE inhibitor	AGSP	165.071	MH2+	Inhouse_peptide	NA	peptide
+12	Myosin	TNP	165.0715	MH2+	Inhouse_peptide	NA	peptide
+CJpos0372	Stachydrine (Proline betaine) [(M+Na)]+	C7H13NNaO2	165.076075	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0372	Stachydrine (Proline betaine) [(M+Na)]+	C7H13NNaO2	165.076075	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PFEM053F1	L-Phenylalanine	F1	165.0772	NA	Inhouse_original	NA	NA
+HMDB01921	1,1-Dimethylbiguanide	C4H12ClN5	165.07812	http://www.hmdb.ca/metabolites/HMDB01921	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01921	1,1-Dimethylbiguanide	C4H12ClN5	165.07812	http://www.hmdb.ca/metabolites/HMDB01921	HMDB	NA	NA
+HMDB01921	1,1-Dimethylbiguanide	C4H12ClN5	165.07812	http://www.hmdb.ca/metabolites/HMDB01921	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01921	1,1-Dimethylbiguanide	C4H12ClN5	165.07812	HMDB01921	PFEM_hmdb_metabocards_official	NA	NA
+JH060	Phenylalanine [M+H]+	C9H11NO2	165.07844	1.66	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH060	Phenylalanine [M+H]+	C9H11NO2	165.07844	1.66	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH060	Phenylalanine [M+H]+	C9H11NO2	165.07844	1.66	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH060	Phenylalanine [M+H]+	C9H11NO2	165.07844	1.66	Inhousejuil11	NA	NA
+CJpos0373	Phenylalanine [M+H]+	C9H12O2N	165.078475	C18rt(min)=4.46 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0373	Phenylalanine [M+H]+	C9H12O2N	165.078475	C18rt(min)=4.46 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR337	Phenylalanine F1	NA	165.078875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR337	Phenylalanine F1	NA	165.078875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR337	Phenylalanine F1	NA	165.078875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	166.086075	Inhouse_sept12	NA	NA
+EUR337	Phenylalanine F1	NA	165.078875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR337	Phenylalanine F1	C9H11NO2	165.078875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ003607	5-Hydroxykynurenamine 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003608	D-Phenylalanine 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003609	L-Phenylalanine 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003610	2-(Methylamino)benzoic acid; Me ester 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003611	2-Amino-2-phenylacetic acid, N-Me 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003612	2-Hydroxybenzamide; Et ether 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003613	4-Aminobenzoic acid; Et ester 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003614	4-Hydroxybenzylamine; N-Ac 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003615	4-Methoxyaniline; N-Ac 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003616	5-Ethyl-3-pyridinecarboxylic acid; Me ester 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003617	Gentiatibetine 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003618	Oxerine 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003619	Parapropamol 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003620	Phenylacetohydroxamic acid; N-Me 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+MJ003621	Phenylalanine 	C9H11NO2	165.078978	NA	MeJP	NA	NA
+HMDB00159	L-Phenylalanine	C9H11NO2	165.078979	NA	HMDB2010	NA	NA
+HMDB01007	3-Pyridinebutanoic acid	C9H11NO2	165.078979	NA	HMDB2010	NA	NA
+HMDB04992	Benzocaine	C9H11NO2	165.078979	NA	HMDB2010	NA	NA
+HMDB06044	Norsalsolinol	C9H11NO2	165.078979	NA	HMDB2010	NA	NA
+MetaCyc01261	4-(3-pyridyl)-butanoate [4-(3-pyridyl)-butanoic acid;]	C9H11N1O2	165.078979	NA	metacyc	NA	NA
+MetaCyc01262	L-phenylalanine [F;endophenyl;phenylalanine;phe;]	C9H11N1O2	165.078979	63-91-2	metacyc	NA	NA
+MetaCyc01263	D-phenylalanine [D-&alpha;-amino-&beta;-phenylpropionic acid;]	C9H11N1O2	165.078979	673-06-3	metacyc	NA	NA
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB00159	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB00159	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB00159	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB00159	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB00159	HMDB	NA	NA
+HMDB04992	Benzocaine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB04992	HMDB	NA	NA
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	NA  ;SYN:3-Sulphino-L-alanine; Cysteine sulfinic acid; Cysteine sulfinate; 3-sulfino- Alanine; 3-Sulfino-L-alanine; L-cysteinesulfinic acid; L-cysteine sulfinic acid; Cysteine hydrogen sulfite ester; Alanine 3-sulfinic acidH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	http://www.hmdb.ca/metabolites/HMDB00159	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00159	L-Phenylalanine	C9H11NO2	165.07898	HMDB00159	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04992	Benzocaine	C9H11NO2	165.07898	HMDB04992	PFEM_hmdb_metabocards_official	NA	NA
+EUR031	L-Phenylalanine	C9H11NO2	165.079	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR618	Phenylalanine 	[M+H]+	165.079	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR031	L-Phenylalanine	C9H11NO2	165.079	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR618	Phenylalanine 	[M+H]+	165.079	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR031	L-Phenylalanine	C9H11NO2	165.079	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR618	Phenylalanine 	[M+H]+	165.079	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR031	L-Phenylalanine	C9H11NO2	165.079	Wishlist	Inhousejuil11	NA	NA
+EUR618	Phenylalanine 	[M+H]+	165.079	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00079	L-Phenylalanine	C9H11NO2	165.079	NA	KEGG	NA	NA
+C02057	Phenylalanine	C9H11NO2	165.079	NA	KEGG	NA	NA
+C02058	Phosphoramide	PNH3O3R	165.079	NA	KEGG	NA	NA
+C02265	D-Phenylalanine	C9H11NO2	165.079	NA	KEGG	NA	NA
+C07527	Benzocaine	C9H11NO2	165.079	NA	KEGG	NA	NA
+C18090	Tricaine	C9H11NO2	165.079	NA	KEGG	NA	NA
+PJ000019	F 	C9H11NO2	165.079	NA	PeJP	NA	NA
+EUR559	phenylalanine	[M+H]+	165.079175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR559	phenylalanine	[M+H]+	165.079175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR559	phenylalanine	[M+H]+	165.079175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR559	phenylalanine	[M+H]+	165.079175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+CJneg0197	Phenylalanine [M-H]-	C9H10O2N	165.079525	C18rt(min)=4.46 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0198	Tetrahydrohippuric acid [(M-H)-H2O]-	C9H10O2N	165.079525	C18rt(min)=6.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0197	Phenylalanine [M-H]-	C9H10O2N	165.079525	C18rt(min)=4.46 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0198	Tetrahydrohippuric acid [(M-H)-H2O]-	C9H10O2N	165.079525	C18rt(min)=6.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3749	NA	KPS	165.089	MH2+	Inhouse_peptide	NA	peptide
+7741	ACE inhibitor	RR	165.101	MH2+	Inhouse_peptide	NA	peptide
+7569	ACE inhibitor from chicken muscle	LKA	165.1075	MH2+	Inhouse_peptide	NA	peptide
+7626	ACE inhibitor from k-CN (fr, 22-24)	IAK	165.1075	MH2+	Inhouse_peptide	NA	peptide
+8132	peptide derived from dried bonito	KAI	165.1075	MH2+	Inhouse_peptide	NA	peptide
+39	Creatine kinase	LKA	165.108	MH2+	Inhouse_peptide	NA	peptide
+HMDB01943	Pseudoephedrine	C10H15NO	165.115356	NA	HMDB2010	NA	NA
+HMDB04366	Hordenine	C10H15NO	165.115356	NA	HMDB2010	NA	NA
+HMDB01943	Pseudoephedrine	C10H15NO	165.11536	http://www.hmdb.ca/metabolites/HMDB01943	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01943	Pseudoephedrine	C10H15NO	165.11536	http://www.hmdb.ca/metabolites/HMDB01943	HMDB	NA	NA
+HMDB04366	Hordenine	C10H15NO	165.11536	http://www.hmdb.ca/metabolites/HMDB04366	HMDB	NA	NA
+HMDB01943	Pseudoephedrine	C10H15NO	165.11536	http://www.hmdb.ca/metabolites/HMDB01943	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01943	Pseudoephedrine	C10H15NO	165.11536	HMDB01943	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04366	Hordenine	C10H15NO	165.11536	HMDB04366	PFEM_hmdb_metabocards_official	NA	NA
+MJ003622	Hordenine 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003623	2-(4-Methoxyphenyl)ethylamine; N-Me 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003624	2-(Methylamino)-1-phenyl-1-propanol 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003625	2-Dimethylamino-1-phenylethanol 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003626	4-(2-Aminopropyl)phenol, Me ether 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003627	Ferruginine 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003628	Homotyramine; N-Me 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003629	Hordenine 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003630	Lindenialine 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003631	Pholedrine 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MJ003632	Talsaclidine 	C10H15NO	165.115364	NA	MeJP	NA	NA
+MetaCyc01264	(R)-2-methylimino-1-phenylpropan-1-ol []	C10H15N1O1	165.115364	NA	metacyc	NA	NA
+MetaCyc01265	(-)-ephedrine []	C10H15N1O1	165.115364	299-42-3	metacyc	NA	NA
+C01575	Ephedrine	C10H15NO	165.1154	NA	KEGG	NA	NA
+C02765	(+)-Pseudoephedrine	C10H15NO	165.1154	NA	KEGG	NA	NA
+C06199	Hordenine	C10H15NO	165.1154	NA	KEGG	NA	NA
+C10841	Anatoxin a	C10H15NO	165.1154	NA	KEGG	NA	NA
+MJ003633	2-Amino-3,5,6-trimethylpyrazine; N,N-Di-Me 	C9H15N3	165.126597	NA	MeJP	NA	NA
+MJ003634	4,5,6,7-Tetrahydro-2H-indazol-3-amine; N2,3-N-Di-Me 	C9H15N3	165.126597	NA	MeJP	NA	NA
+MJ003635	Immepip 	C9H15N3	165.126597	NA	MeJP	NA	NA
+C17932	Immepip	C9H15N3	165.1266	NA	KEGG	NA	NA
+MJ003636	?4-Dehydroskytanthine 	C11H19N	165.151749	NA	MeJP	NA	NA
+MJ003637	?4a-Dehydroskytanthine 	C11H19N	165.151749	NA	MeJP	NA	NA
+2872	opioid lipotropin fr:14-17	NAGA	165.56895	MH2+	Inhouse_peptide	NA	peptide
+7824	ACE inhibitor from micro algae	IAE	165.5815	MH2+	Inhouse_peptide	NA	peptide
+MJ003638	Potassium iodide 	IK	165.868175	NA	MeJP	NA	NA
+C08219	Potassium iodide	K	165.8682	NA	KEGG	NA	NA
+C08220	Transferred to D01017	K	165.8682	NA	KEGG	NA	NA
+C08221	Transferred to D01018	K	165.8682	NA	KEGG	NA	NA
+C08222	Transferred to D01019	K	165.8682	NA	KEGG	NA	NA
+C08223	Transferred to D01020	K	165.8682	NA	KEGG	NA	NA
+C08224	Transferred to D01021	K	165.8682	NA	KEGG	NA	NA
+C08225	Transferred to D01022	K	165.8682	NA	KEGG	NA	NA
+C08226	Transferred to D00756	K	165.8682	NA	KEGG	NA	NA
+C08227	Transferred to D01024	K	165.8682	NA	KEGG	NA	NA
+MJ003639	1,1,2,2-Tetrachloroethane 	C2H2Cl4	165.89106	NA	MeJP	NA	NA
+MetaCyc01266	1,1,2,2-tetrachloroethane []	C2H2CL4	165.891061	NA	metacyc	NA	NA
+MetaCyc01267	1,1,1,2-tetrachloroethane []	C2H2CL4	165.891061	NA	metacyc	NA	NA
+C14705	1,1,1,2-Tetrachloroethane	C2H2Cl4	165.8911	NA	KEGG	NA	NA
+MetaCyc01268	3-bromopyruvate [bromopyruvate;3-bromopyruvic acid;bromopyruvic acid;3-bromo-2-oxopropanoic acid;]	C3H3O3BR1	165.926557	NA	metacyc	NA	NA
+C14873	Thiodiacetic acid sulfoxide	C4H6O5S	165.9936	NA	KEGG	NA	NA
+MJ003640	3,5-Dialkyl-1,2,4-trithiolanes; 3-Ethyl-5-methyl-1,2,4-trithiolane 	C5H10S3	165.994462	NA	MeJP	NA	NA
+C17948	Deamino-alpha-keto-demethylphosphinothricin	C4H7O5P	166.0031	NA	KEGG	NA	NA
+C01606	Phthalate	C8H6O4	166.0266	NA	KEGG	NA	NA
+C03590	4-Hydroxyphenylglyoxylate	C8H6O4	166.0266	NA	KEGG	NA	NA
+C06337	Terephthalate	C8H6O4	166.0266	NA	KEGG	NA	NA
+C14096	3-Formylsalicylic acid	C8H6O4	166.0266	NA	KEGG	NA	NA
+C14100	4-Formylsalicylic acid	C8H6O4	166.0266	NA	KEGG	NA	NA
+MJ003641	1,2-Benzenedicarboxylic acid 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003642	1,3-Benzenedicarboxylic acid 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003643	1,4-Benzenedicarboxylic acid 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003644	2-(4-Hydroxyphenyl)-2-oxoacetic acid 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003645	2-Formyl-6-hydroxybenzoic acid 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003646	3,4-Methylenedioxybenzoic acid 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003647	5,6-Dihydroxy-1(3H)-isobenzofuranone 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003648	5,7-Dihydroxy-1(3H)-isobenzofuranone 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003649	4-Hydroxyphenylglyoxylate 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003650	Phthalate 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MJ003651	Terephthalate 	C8H6O4	166.026608	NA	MeJP	NA	NA
+MetaCyc01269	terephthalate [1,4-dicarboxybenzene;]	C8H6O4	166.026609	NA	metacyc	NA	NA
+MetaCyc01270	phthalate [phthalic acid;1,2-benzenedicarboxylic acid;o-benzenedicarboxylic acid;benzene-1,2-dicarboxylic acid;o-phthalic acid;o-dicarboxybenzene;]	C8H6O4	166.026609	88-99-3	metacyc	NA	NA
+MetaCyc01271	p-hydroxybenzoylformate [4-hydroxyphenylglyoxylate;4-hydroxybenzoylformate;2-(4-hydroxyphenyl)-2-oxo-acetic acid;]	C8H6O4	166.026609	NA	metacyc	NA	NA
+HMDB02428	Terephthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02428	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02107	Phthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02107	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02428	Terephthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02428	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02428	Terephthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02428	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02107	Phthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02107	HMDB	NA	NA
+HMDB02334	Benzoquinoneacetic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02334	HMDB	NA	NA
+HMDB02428	Terephthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02428	HMDB	NA	NA
+HMDB02107	Phthalic acid	C8H6O4	166.02661	http://www.hmdb.ca/metabolites/HMDB02107	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02107	Phthalic acid	C8H6O4	166.02661	HMDB02107	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02334	Benzoquinoneacetic acid	C8H6O4	166.02661	HMDB02334	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02428	Terephthalic acid	C8H6O4	166.02661	HMDB02428	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02107	Phthalic acid	C8H6O4	166.026611	NA	HMDB2010	NA	NA
+HMDB02334	Benzoquinoneacetic acid	C8H6O4	166.026611	NA	HMDB2010	NA	NA
+HMDB02428	Terephthalic acid	C8H6O4	166.026611	NA	HMDB2010	NA	NA
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR234	Acide sialique F8	NA	166.030175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR234	Acide sialique F8	NA	166.030175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR234	Acide sialique F8	NA	166.030175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR234	Acide sialique F8	NA	166.030175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR234	Sialic acid F8	F8	166.030175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C16614	6-Methylmercaptopurine	C6H6N4S	166.0313	NA	KEGG	NA	NA
+C12114	4-Hydroxy-3-nitrosobenzamide	C7H6N2O3	166.0378	NA	KEGG	NA	NA
+MJ003652	4-Hydroxy-3-nitrosobenzoic acid; Amide 	C7H6N2O3	166.037842	NA	MeJP	NA	NA
+C00502	D-Xylonate	C5H10O6	166.0477	NA	KEGG	NA	NA
+C00545	L-Arabinonate	C5H10O6	166.0477	NA	KEGG	NA	NA
+C00878	D-Arabinonate	C5H10O6	166.0477	NA	KEGG	NA	NA
+C01685	D-Ribonate	C5H10O6	166.0477	NA	KEGG	NA	NA
+C01687	Desmycosin	C5H10O6	166.0477	NA	KEGG	NA	NA
+C05411	L-Xylonate	C5H10O6	166.0477	NA	KEGG	NA	NA
+C05412	L-Lyxonate	C5H10O6	166.0477	NA	KEGG	NA	NA
+MJ003653	Xylonic acid 	C5H10O6	166.047738	NA	MeJP	NA	NA
+MJ003654	D-Xylonate 	C5H10O6	166.047738	NA	MeJP	NA	NA
+MJ003655	L-Arabinonate 	C5H10O6	166.047738	NA	MeJP	NA	NA
+MJ003656	L-Lyxonate 	C5H10O6	166.047738	NA	MeJP	NA	NA
+MJ003657	L-Xylonate 	C5H10O6	166.047738	NA	MeJP	NA	NA
+MetaCyc01272	L-xylonate [xylonate;]	C5H10O6	166.047738	NA	metacyc	NA	NA
+MetaCyc01273	D-xylonate []	C5H10O6	166.047738	526-91-0	metacyc	NA	NA
+MetaCyc01274	D-Ribonate []	C5H10O6	166.047738	NA	metacyc	NA	NA
+MetaCyc01275	L-arabinonate []	C5H10O6	166.047738	608-53-7	metacyc	NA	NA
+MetaCyc01276	D-arabinonate []	C5H10O6	166.047738	NA	metacyc	NA	NA
+HMDB00539	Arabinonic acid	C5H10O6	166.04774	http://www.hmdb.ca/metabolites/HMDB00539	HMDB	NA	NA
+HMDB00539	Arabinonic acid	C5H10O6	166.04774	HMDB00539	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00539	Arabinonic acid	C5H10O6	166.047745	NA	HMDB2010	NA	NA
+HMDB00867	Ribonic acid	C5H10O6	166.047745	NA	HMDB2010	NA	NA
+CJneg0199	Ribonic acic (and isomers) [(M-H)]-	C5H9O6	166.048325	C18rt(min)=0.94 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0199	Ribonic acic (and isomers) [(M-H)]-	C5H9O6	166.048325	C18rt(min)=0.94 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0374	7-Methylxanthine [(M+H)]+	C6H7N4O2	166.048575	C18rt(min)=4.01 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0375	1-Methylxanthine [(M+H)]+	C6H7N4O2	166.048575	C18rt(min)=4.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0376	9-Methylxanthine [(M+H)]+	C6H7N4O2	166.048575	C18rt(min)=4.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0374	7-Methylxanthine [(M+H)]+	C6H7N4O2	166.048575	C18rt(min)=4.01 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0375	1-Methylxanthine [(M+H)]+	C6H7N4O2	166.048575	C18rt(min)=4.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0376	9-Methylxanthine [(M+H)]+	C6H7N4O2	166.048575	C18rt(min)=4.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003658	Dipropyl disulfide; S-Oxide 	C6H14OS2	166.048606	NA	MeJP	NA	NA
+HMDB01886	3-Methylxanthine	C6H6N4O2	166.049072	NA	HMDB2010	NA	NA
+HMDB01991	7-Methylxanthine	C6H6N4O2	166.049072	NA	HMDB2010	NA	NA
+HMDB10738	1-Methylxanthine	C6H6N4O2	166.049072	NA	HMDB2010	NA	NA
+MJ003659	3,7-Dihydro-3-methyl-1H-purine-2,6-dione 	C6H6N4O2	166.049075	NA	MeJP	NA	NA
+MJ003660	Xanthine; 7H-form, 7-Me 	C6H6N4O2	166.049075	NA	MeJP	NA	NA
+MetaCyc01277	7-methylxanthine []	C6H6N4O2	166.049075	NA	metacyc	NA	NA
+HMDB01886	3-Methylxanthine	C6H6N4O2	166.04909	http://www.hmdb.ca/metabolites/HMDB01886	HMDB	NA	NA
+HMDB01991	7-Methylxanthine	C6H6N4O2	166.04909	http://www.hmdb.ca/metabolites/HMDB01991	HMDB	NA	NA
+HMDB01886	3-Methylxanthine	C6H6N4O2	166.04909	HMDB01886	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01991	7-Methylxanthine	C6H6N4O2	166.04909	HMDB01991	PFEM_hmdb_metabocards_official	NA	NA
+C16353	7-Methylxanthine	C6H6N4O2	166.0491	NA	KEGG	NA	NA
+C16357	3-Methylxanthine	C6H6N4O2	166.0491	NA	KEGG	NA	NA
+C16358	1-Methylxanthine	C6H6N4O2	166.0491	NA	KEGG	NA	NA
+CJneg0200	1-Methylxanthine [(M-H)]-	C6H5N4O2	166.049625	C18rt(min)=4.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0201	9-Methylxanthine [(M-H)]-	C6H5N4O2	166.049625	C18rt(min)=4.3 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0202	7-Methylxanthine [(M-H)]-	C6H5N4O2	166.049625	C18rt(min)=4.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0200	1-Methylxanthine [(M-H)]-	C6H5N4O2	166.049625	C18rt(min)=4.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0201	9-Methylxanthine [(M-H)]-	C6H5N4O2	166.049625	C18rt(min)=4.3 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0202	7-Methylxanthine [(M-H)]-	C6H5N4O2	166.049625	C18rt(min)=4.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003661	2-Ethyl-4-pyridinecarbothioamide 	C8H10N2S	166.056469	NA	MeJP	NA	NA
+C07665	Ethionamide	C8H10N2S	166.0565	NA	KEGG	NA	NA
+HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB00748	L-3-Phenyllactic acid	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB00779	Phenyllactic acid	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB02072	4-Methoxyphenylacetic acid	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB02199	Desaminotyrosine	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB02229	3-Phenoxypropionic acid	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB05175	Homovanillin	C9H10O3	166.062988	NA	HMDB2010	NA	NA
+HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00375	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00375	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00375	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00375	HMDB	NA	NA
+HMDB00475	Atrolactic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00475	HMDB	NA	NA
+HMDB00563	D-Phenyllactic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00563	HMDB	NA	NA
+HMDB00779	Phenyllactic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB00779	HMDB	NA	NA
+HMDB02072	4-Methoxyphenylacetic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB02072	HMDB	NA	NA
+HMDB02199	Desaminotyrosine	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB02199	HMDB	NA	NA
+HMDB02229	3-Phenoxypropionic acid	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB02229	HMDB	NA	NA
+HMDB05175	Homovanillin	C9H10O3	166.06299	http://www.hmdb.ca/metabolites/HMDB05175	HMDB	NA	NA
+HMDB00375	3-(3-Hydroxyphenyl)propanoic acid	C9H10O3	166.06299	HMDB00375	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00475	Atrolactic acid	C9H10O3	166.06299	HMDB00475	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00563	D-Phenyllactic acid	C9H10O3	166.06299	HMDB00563	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00779	Phenyllactic acid	C9H10O3	166.06299	HMDB00779	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02072	4-Methoxyphenylacetic acid	C9H10O3	166.06299	HMDB02072	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02199	Desaminotyrosine	C9H10O3	166.06299	HMDB02199	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02229	3-Phenoxypropionic acid	C9H10O3	166.06299	HMDB02229	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05175	Homovanillin	C9H10O3	166.06299	HMDB05175	PFEM_hmdb_metabocards_official	NA	NA
+MJ003662	1-(3,5-Dihydroxyphenyl)-2-propanone 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003663	1-(3-Furanyl)-1,4-pentanedione 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003664	2',4'-Dihydroxy-6'-methylacetophenone 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003665	2',4'-Dihydroxyacetophenone; 4'-Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003666	2',5'-Dihydroxy-4'-methylacetophenone 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003667	2',5'-Dihydroxyacetophenone; 5-Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003668	2,4-Dihydroxy-3,6-dimethylbenzaldehyde 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003669	2,4-Dihydroxy-6-methylbenzaldehyde; 2-Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003670	2-(4-Hydroxyphenyl)propanoic acid 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003671	2-Hydroxy-3-phenylpropanoic acid 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003672	2-Hydroxybenzoic acid; Et ester 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003673	2-Methoxybenzoic acid; Me ester 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003674	3',4'-Dihydroxyacetophenone; 3'-Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003675	3',4'-Dihydroxyacetophenone; 4'-Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003676	3,4-Dihydroxybenzaldehyde; 3-Et ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003677	3,4-Dimethoxybenzaldehyde 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003678	3-(2-Hydroxyphenyl)propanoic acid 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003679	3-(4-Hydroxyphenyl)propanoic acid 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003680	3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003681	3-Hydroxy-2,5-dimethyl-1,4-benzoquinone; Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003682	3-Hydroxy-3-phenylpropanoic acid 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003683	4-(2-Hydroxyethyl)benzoic acid 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003684	4-Hydroxy-6-phenyl-2(1H)-pyranone; Me ether 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003685	4-Hydroxybenzoic acid; Et ester 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003686	4-Hydroxyphenylacetic acid; Me ester 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003687	4-Methoxybenzoic acid; Me ester 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003688	4-Nonene-6,8-diyne-1,2,3-triol 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003689	5-(1-Propenyl)-1,2,3-benzenetriol 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003690	6-Deoxyaucubigenin; 1-Ketone (lactone) 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003691	8,9-Dihydroxy-4,6-nonadiyn-3-one 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003692	3-(2-Hydroxyphenyl)propanoate 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003693	3-Methoxy-4-hydroxyphenylacetaldehyde 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003694	Phenyllactate 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MJ003695	Tropate 	C9H10O3	166.062994	NA	MeJP	NA	NA
+MetaCyc01278	veratraldehyde [3,4-dimethoxybenzaldehyde;]	C9H10O3	166.062994	120-14-9	metacyc	NA	NA
+MetaCyc01279	tropate []	C9H10O3	166.062994	529-64-6	metacyc	NA	NA
+MetaCyc01280	phloretate []	C9H10O3	166.062994	501-97-3	metacyc	NA	NA
+MetaCyc01281	(R)-phenyllactate []	C9H10O3	166.062994	NA	metacyc	NA	NA
+MetaCyc01282	3-(3-hydroxyphenyl)propionate [3-(3-hydroxyphenyl)propionic acid;m-hydroxyphenylpropionic acid;m-hydroxyphenylpropionate;MHP;3HPP;]	C9H10O3	166.062994	NA	metacyc	NA	NA
+MetaCyc01283	melilotate [3-(2-Hydroxyphenyl) propionate;3-(2-Hydroxyphenyl)propionic acid;3-(o-Hydroxyphenyl) propionic acid;3-(2-hydroxyphenyl)propanoate;]	C9H10O3	166.062994	495-78-3	metacyc	NA	NA
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR619	D-3-Phenyllactic acid 	NA	166.062995	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR619	D-3-Phenyllactic acid 	[M-H]-	166.063	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR619	D-3-Phenyllactic acid 	[M-H]-	166.063	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR619	D-3-Phenyllactic acid 	[M-H]-	166.063	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR619	D-3-Phenyllactic acid 	[M-H]-	166.063	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C01198	3-(2-Hydroxyphenyl)propanoate	C9H10O3	166.063	NA	KEGG	NA	NA
+C01199	5'-Hydroxyoligoribonucleotide	C10H17O10PR2	166.063	NA	KEGG	NA	NA
+C01200	N-Acylneuraminate 9-phosphate	C10H17NO12PR	166.063	NA	KEGG	NA	NA
+C01456	Tropate	C9H10O3	166.063	NA	KEGG	NA	NA
+C01744	Phloretate	C9H10O3	166.063	NA	KEGG	NA	NA
+C02201	Veratraldehyde	C9H10O3	166.063	NA	KEGG	NA	NA
+C02363	3-Ethoxybenzoate	C9H10O3	166.063	NA	KEGG	NA	NA
+C03080	4-Hydroxyhydratropate	C9H10O3	166.063	NA	KEGG	NA	NA
+C05581	3-Methoxy-4-hydroxyphenylacetaldehyde	C9H10O3	166.063	NA	KEGG	NA	NA
+C05607	Phenyllactate	C9H10O3	166.063	NA	KEGG	NA	NA
+C10712	Paeonol	C9H10O3	166.063	NA	KEGG	NA	NA
+C11380	Apocynin	C9H10O3	166.063	NA	KEGG	NA	NA
+C11457	3-(3-Hydroxy-phenyl)-propanoic acid	C9H10O3	166.063	NA	KEGG	NA	NA
+C12206	Caffeyl alcohol	C9H10O3	166.063	NA	KEGG	NA	NA
+CJneg0203	Phenyllactic acid [(M-H)]-	C9H9O3	166.063525	C18rt(min)=6.62 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0203	Phenyllactic acid [(M-H)]-	C9H9O3	166.063525	C18rt(min)=6.62 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3201	chymotrypsin inhibitor	GAW	166.0685	MH2+	Inhouse_peptide	NA	peptide
+MJ003696	2-Amino-3-(2-pyridinyl)propanoic acid 	C8H10N2O2	166.074227	NA	MeJP	NA	NA
+MJ003697	4,5,6,7-Tetrahydro-2H-pyrrolo[3,4-c]pyridine-6-carboxylic acid 	C8H10N2O2	166.074227	NA	MeJP	NA	NA
+MJ003698	Cephalosporidine 	C8H10N2O2	166.074227	NA	MeJP	NA	NA
+MJ003699	Clavulazine 	C8H10N2O2	166.074227	NA	MeJP	NA	NA
+MJ003700	Fluorene 	C13H10	166.07825	NA	MeJP	NA	NA
+MJ003701	1,3,11-Tridecatriene-5,7,9-triyne 	C13H10	166.07825	NA	MeJP	NA	NA
+MJ003702	1,3,5-Tridecatriene-7,9,11-triyne 	C13H10	166.07825	NA	MeJP	NA	NA
+MJ003703	1-Phenyl-5-heptene-1,3-diyne 	C13H10	166.07825	NA	MeJP	NA	NA
+MetaCyc01284	fluorene [9H-Fluorene;o-Biphenylenemethane;diphenylenemethane;2,2'-methylenebiphenyl;o-biphenylmethane;2,3-benzindene;&alpha;-diphenylenemethane-9H-fluorene;]	C13H10	166.07825	NA	metacyc	NA	NA
+C07715	Fluorene	C13H10	166.0783	NA	KEGG	NA	NA
+C07716	Transferred to D00631	C13H10	166.0783	NA	KEGG	NA	NA
+C08457	1-Phenyl-5-heptene-1,3-diyne	C13H10	166.0783	NA	KEGG	NA	NA
+MJ003704	3-(4-Methyl-3-pentenyl)thiophene 	C10H14S	166.081621	NA	MeJP	NA	NA
+MJ003705	3-Methyl-2-(3-methyl-2-butenyl)thiophene 	C10H14S	166.081621	NA	MeJP	NA	NA
+CJpos0377	Phenylalanine [M+H]+ (13C)	C8[13]CH12O2N	166.081775	C18rt(min)=4.46 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0377	Phenylalanine [M+H]+ (13C)	C8[13]CH12O2N	166.081775	C18rt(min)=4.46 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003706	1-Deoxyglucitol 	C6H14O5	166.084123	NA	MeJP	NA	NA
+MJ003707	6-Deoxyglucitol 	C6H14O5	166.084123	NA	MeJP	NA	NA
+MJ003708	Rhamnitol 	C6H14O5	166.084123	NA	MeJP	NA	NA
+3386	ACE inhibitor	KW	166.0865	MH2+	Inhouse_peptide	NA	peptide
+JH134	Syringic acid [M+H-OMe]+	NA	166.0908	11.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH134	Syringic acid [M+H-OMe]+	NA	166.0908	11.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH134	Syringic acid [M+H-OMe]+	NA	166.0908	11.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH134	Syringic acid [M+H-OMe]+	NA	166.0908	11.87	Inhousejuil11	NA	NA
+MJ003709	Cyromazine, ANSI 	C6H10N6	166.096694	NA	MeJP	NA	NA
+MetaCyc01285	N-cyclopropylmelamine [cypromazine;larvadex;vetrazin;vetrazine;azimethiphos;]	C6H10N6	166.096694	NA	metacyc	NA	NA
+C14147	Cyromazine	C6H10N6	166.0967	NA	KEGG	NA	NA
+CJpos0378	Heptylmalonic acid  [(M+H)-2(H2O)]+	C10H15O2	166.098875	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0378	Heptylmalonic acid  [(M+H)-2(H2O)]+	C10H15O2	166.098875	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003710	1,2-Epoxy-p-menth-4(8)-en-3-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003711	1,2:3,4-Diepoxy-p-menth-8-ene 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003712	1,4-Epidioxy-p-mentha-2,8-diene 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003713	1,6-Epoxy-p-menth-8-en-2-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003714	1-(3-Furanyl)-4-methyl-1-pentanone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003715	1-Phenyl-2,3-butanediol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003716	10-Hydroxy-3-thujen-2-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003717	2(10)-Pinene-3,6-diol, 3-Ketone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003718	2(10)-Pinene-3,6-diol, 6-Ketone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003719	2,2,9-Trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003720	2,4,6-Decatrienoic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003721	2,4,7-Decatrienoic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003722	2,5,6,6-Tetramethyl-2-cyclohexene-1,4-dione 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003723	2,6,8-Decatrienoic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003724	2-Hydroxy-p-mentha-1,4(8)-dien-3-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003725	2-Hydroxy-p-mentha-1,8-dien-6-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003726	2-Isopropyl-5-methyl-1,4-benzenediol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003727	2-Pinen-10-ol, 10-Carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003728	3,5,7-Decatrienoic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003729	3-(4-Hydroxyphenyl)-1-propanol; 4'-Me ether 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003730	3-Caren-10-oic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003731	3-Hydroxy-p-mentha-1,8-dien-7-al 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003732	3-Methyl-5-(2-methylpropyl)-2-furancarboxaldehyde 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003733	4,4-Dimethyl-1,6-cycloheptadiene-1-carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003734	4,4-Dimethyl-2,5-cycloheptadiene-1-carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003735	4,4-Dimethyl-2,6-cycloheptadiene-1-carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003736	4,5-Dihydro-3-methyl-5-(3-methyl-1,3-butadienyl)-2(3H)-furanone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003737	4-(4-Hydroxyphenyl)-2-butanol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003738	4-Caren-10-oic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003739	4-Ethyl-1,2-benzenediol; Di-Me ether 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003740	4-Isopropyl-1,2-benzenediol; 1-Me ether 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003741	5,5-Dimethyl-1,3-cycloheptadiene-1-carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003742	5,6-Dihydro-6-(2-pentenyl)-2H-pyran-2-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003743	5-(1,1-Dimethyl-2-propenyl)-3-methyl-2(4H)-furanone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003744	5-(1-Butenyl)-6-methyl-2H-pyran-2-one, 1',2'-Dihydro 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003745	5-Ethylidene-5,6-dihydro-3,6,6-trimethyl-2-pyranone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003746	5-Hydroxy-3-caren-2-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003747	5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003748	5-Hydroxy-p-mentha-6,8-dien-2-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003749	5-Hydroxyadamantanone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003750	5-Isopropyl-2-methyl-1,3-benzenediol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003751	5-Pentyl-2-furancarboxaldehyde 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003752	6-Pentyl-2H-pyran-2-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003753	8,8-Dimethyl-2-methylene-6-oxabicyclo[3.2.1]octan-7-one 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003754	8-Hydroxy-2,4,6-decatrienal 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003755	?-Acaridial 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003756	Actinidialactone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003757	Cinerolone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003758	Dehydroiridodial 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003759	Dihydro-3-(4-methyl-3-pentenylidene)-2(3H)-furanone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003760	Dihydronepetalactone; 4,11-Didehydro 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003761	Dolichodial 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003762	Elsholtzione 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003763	Elymniafuran 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003764	Ferulol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003765	Filifolide A 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003766	Filifolide B 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003767	Lepalone; 3-Alcohol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003768	Lyratol, 1-Carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003769	Mintlactone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003770	Neonepetalactone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003771	Nepetalactone 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003772	Plagiodial 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003773	Santolinolides 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003774	Teresantalol; 8-Carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003775	Teucrium lactone C 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003776	Tsaokoin 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003777	o-Mentha-1(7),4,8-triene-3,6-diol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003778	p-Menth-1-en-9,3-olide 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003779	p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 8,10-Dihydro 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003780	p-Mentha-1,3,5-triene-2,8-diol 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003781	p-Mentha-1,8-dien-7-al, 7-Carboxylic acid 	C10H14O2	166.099379	NA	MeJP	NA	NA
+MJ003782	?-Acaridial 	C10H14O2	166.099379	NA	MeJP	NA	NA
+HMDB04586	Perillic acid	C10H14O2	166.09938	http://www.hmdb.ca/metabolites/HMDB04586	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04586	Perillic acid	C10H14O2	166.09938	http://www.hmdb.ca/metabolites/HMDB04586	HMDB	NA	NA
+MetaCyc01286	2,5-diketocamphane [2,5-dioxocamphane;]	C10H14O2	166.09938	NA	metacyc	NA	NA
+MetaCyc01287	4-oxahomoadamantan-5-one [4-oxatricyclo[4.3.1.13,8]undecan-5-one;]	C10H14O2	166.09938	NA	metacyc	NA	NA
+MetaCyc01288	5-hydroxyadamantan-2-one []	C10H14O2	166.09938	NA	metacyc	NA	NA
+MetaCyc01289	(+)-bornane-2,5-dione [bornanedione;]	C10H14O2	166.09938	NA	metacyc	NA	NA
+MetaCyc01290	1-(3,4-dimethylphenyl)ethane-1,2-diol []	C10H14O2	166.09938	NA	metacyc	NA	NA
+HMDB04586	Perillic acid	C10H14O2	166.09938	http://www.hmdb.ca/metabolites/HMDB04586	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04586	Perillic acid	C10H14O2	166.09938	HMDB04586	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04586	Perillic acid	C10H14O2	166.09938	NA	HMDB2010	NA	NA
+C03037	(+)-Bornane-2,5-dione	C10H14O2	166.0994	NA	KEGG	NA	NA
+C09777	Dolichodial	C10H14O2	166.0994	NA	KEGG	NA	NA
+C09791	Nepetalactone cis-trans-form	C10H14O2	166.0994	NA	KEGG	NA	NA
+C09792	Nepetalactone trans-cis-form	C10H14O2	166.0994	NA	KEGG	NA	NA
+C09841	Carvone oxide	C10H14O2	166.0994	NA	KEGG	NA	NA
+C09887	Piquerol A	C10H14O2	166.0994	NA	KEGG	NA	NA
+C09896	Rotundifolone	C10H14O2	166.0994	NA	KEGG	NA	NA
+C11924	Perillic acid	C10H14O2	166.0994	NA	KEGG	NA	NA
+C11940	Myrtenic acid	C10H14O2	166.0994	NA	KEGG	NA	NA
+C14351	4-Butoxyphenol	C10H14O2	166.0994	NA	KEGG	NA	NA
+C14515	Camphorquinone	C10H14O2	166.0994	NA	KEGG	NA	NA
+C17622	10-Oxogeranial	C10H14O2	166.0994	NA	KEGG	NA	NA
+C17690	4-(4-Hydroxyphenyl)-2-butanol	C10H14O2	166.0994	NA	KEGG	NA	NA
+C17824	(+/-)-Asarinol A	C10H14O2	166.0994	NA	KEGG	NA	NA
+MJ003783	(1-Methyl-2-phenoxyethyl)hydrazine 	C9H14N2O	166.110613	NA	MeJP	NA	NA
+MJ003784	2-Methoxy-3-(1-methylpropyl)pyrazine 	C9H14N2O	166.110613	NA	MeJP	NA	NA
+MJ003785	2-Methoxy-3-(2-methylpropyl)pyrazine 	C9H14N2O	166.110613	NA	MeJP	NA	NA
+MJ003786	3-Isopropyl-2-methoxy-5-methylpyrazine 	C9H14N2O	166.110613	NA	MeJP	NA	NA
+MJ003787	3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole 	C9H14N2O	166.110613	NA	MeJP	NA	NA
+C06976	Edrophonium	C10H16NO	166.1232	NA	KEGG	NA	NA
+MJ003788	1,5,8-Undecatrien-3-ol 	C11H18O	166.135765	NA	MeJP	NA	NA
+MJ003789	2,5,6,6-Tetramethyl-2-cyclohexenecarboxaldehyde 	C11H18O	166.135765	NA	MeJP	NA	NA
+MJ003790	2-Ethyl-4,6,6-trimethyl-2-cyclohexen-1-one 	C11H18O	166.135765	NA	MeJP	NA	NA
+MJ003791	3-Methyl-2-pentyl-2-cyclopentenone 	C11H18O	166.135765	NA	MeJP	NA	NA
+MJ003792	Norecasantalol 	C11H18O	166.135765	NA	MeJP	NA	NA
+MJ003793	3-(2-Piperidinyl)pyridine, Tetrahydro 	C10H18N2	166.146998	NA	MeJP	NA	NA
+7838	ACE inhibitor	EW	166.5605	MH2+	Inhouse_peptide	NA	peptide
+3393	ACE inhibitor	FAP	166.5785	MH2+	Inhouse_peptide	NA	peptide
+3573	NA	AFP	166.5785	MH2+	Inhouse_peptide	NA	peptide
+7644	ACE inhibitor from porcine myosin (306-308)	ITT	166.589	MH2+	Inhouse_peptide	NA	peptide
+14	Myosin	ITT	166.5895	MH2+	Inhouse_peptide	NA	peptide
+C14437	2-Mercaptobenzothiazole	C7H5NS2	166.9863	NA	KEGG	NA	NA
+MJ003794	2(3H)-Benzothiazolethione 	C7H5NS2	166.98634	NA	MeJP	NA	NA
+JH020	Pyroglutamic acid (DL) [M+K]+	NA	167.0022	2.45	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH020	Pyroglutamic acid (DL) [M+K]+	NA	167.0022	2.45	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH020	Pyroglutamic acid (DL) [M+K]+	NA	167.0022	2.45	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH020	Pyroglutamic acid (DL) [M+K]+	NA	167.0022	2.45	Inhousejuil11	NA	NA
+MJ003795	2,6-Benzothiazolediol 	C7H5NO2S	167.004099	NA	MeJP	NA	NA
+MJ003796	Neamphine 	C6H5N3OS	167.015332	NA	MeJP	NA	NA
+MetaCyc01291	urate [8-hydroxyxanthine;2,6,8-trihydroxypurine;trioxopurine;2,6,8-trioxypurine;purine-2,6,8-(1H,3H,9H)-trione;uric acid;]	C5H3N4O3	167.020515	69-93-2	metacyc	NA	NA
+HMDB00232	Quinolinic acid	C7H5NO4	167.021851	NA	HMDB2010	NA	NA
+MJ003797	2,3-Pyridinedicarboxylic acid 	C7H5NO4	167.021857	NA	MeJP	NA	NA
+MJ003798	2,6-Pyridinedicarboxylic acid 	C7H5NO4	167.021857	NA	MeJP	NA	NA
+MJ003799	Pyridine-2,3-dicarboxylate 	C7H5NO4	167.021857	NA	MeJP	NA	NA
+MetaCyc01292	quinolinate [2,3-pyridinedicarboxylic acid;2,3-pyridinedicarboxylate;quinolinic acid;pyridine-2,3-dicarboxylic acid;pyridine-2,3-dicarboxylate;]	C7H5N1O4	167.021858	89-00-9	metacyc	NA	NA
+MetaCyc01293	2,4-pyridinedicarboxylate []	C7H5N1O4	167.021858	NA	metacyc	NA	NA
+MetaCyc01294	4-nitrobenzoate [4NBZate;]	C7H5N1O4	167.021858	NA	metacyc	NA	NA
+MetaCyc01295	dipicolinate [dipicolinic acid;]	C7H5N1O4	167.021858	NA	metacyc	NA	NA
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	http://www.hmdb.ca/metabolites/HMDB00232	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	http://www.hmdb.ca/metabolites/HMDB00232	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	http://www.hmdb.ca/metabolites/HMDB00232	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	http://www.hmdb.ca/metabolites/HMDB00232	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	http://www.hmdb.ca/metabolites/HMDB00232	HMDB	NA	NA
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	http://www.hmdb.ca/metabolites/HMDB00232	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00232	Quinolinic acid	C7H5NO4	167.02187	HMDB00232	PFEM_hmdb_metabocards_official	NA	NA
+C03722	Pyridine-2,3-dicarboxylate	C7H5NO4	167.0219	NA	KEGG	NA	NA
+C03723	Ribonucleoside diphosphate	C5H11O10P2R	167.0219	NA	KEGG	NA	NA
+C16234	o-Nitrobenzoate	C7H5NO4	167.0219	NA	KEGG	NA	NA
+HMDB06462	Homocysteinesulfinic acid	C4H9NO4S	167.02522	http://www.hmdb.ca/metabolites/HMDB06462	HMDB	NA	NA
+HMDB06462	Homocysteinesulfinic acid	C4H9NO4S	167.02522	HMDB06462	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06462	Homocysteinesulfinic acid	C4H9NO4S	167.025223	NA	HMDB2010	NA	NA
+MJ003800	Thioguanine 	C5H5N5S	167.026565	NA	MeJP	NA	NA
+MetaCyc01296	2-thioadenine [2-mercaptoadenine;]	C5H5N5S1	167.026566	NA	metacyc	NA	NA
+MetaCyc01297	thioguanine [6-thioguanine;6-mercaptoguanine;]	C5H5N5S1	167.026566	NA	metacyc	NA	NA
+C07648	Thioguanine	C5H5N5S	167.0266	NA	KEGG	NA	NA
+C17962	Demethylphosphinothricin	C4H10NO4P	167.0347	NA	KEGG	NA	NA
+MJ003801	2-Amino-4-(hydroxyphosphinyl)butanoic acid 	C4H10NO4P	167.034744	NA	MeJP	NA	NA
+HMDB03584	Taurocyamine	C3H9N3O3S	167.03645	http://www.hmdb.ca/metabolites/HMDB03584	HMDB	NA	NA
+HMDB03584	Taurocyamine	C3H9N3O3S	167.03645	HMDB03584	PFEM_hmdb_metabocards_official	NA	NA
+MJ003802	2-Guanidinoethanesulfonic acid 	C3H9N3O3S	167.036461	NA	MeJP	NA	NA
+MJ003803	Taurocyamine 	C3H9N3O3S	167.036461	NA	MeJP	NA	NA
+MetaCyc01298	taurocyamine []	C3H9N3O3S1	167.036462	543-18-0	metacyc	NA	NA
+MetaCyc01299	hypotaurocyamine [[amino-(2-sulfoethylamino)methylene]ammonium;]	C3H9N3O3S1	167.036462	NA	metacyc	NA	NA
+HMDB03584	Taurocyamine	C3H9N3O3S	167.036469	NA	HMDB2010	NA	NA
+C01959	Taurocyamine	C3H9N3O3S	167.0365	NA	KEGG	NA	NA
+C01960	Tetrapeptide	C8H10N4O5R4	167.0365	NA	KEGG	NA	NA
+MetaCyc01300	phenylacetothiohydroximate [phenylacetothiohydroxamic acid;]	C8H9N1O1S1	167.040485	NA	metacyc	NA	NA
+C03719	Phenylacetothiohydroximate	C8H9NOS	167.0405	NA	KEGG	NA	NA
+C03721	Protein tyrosine-O-sulfate	C10H10N2O6SR2	167.0405	NA	KEGG	NA	NA
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR333	8-hydroxydeoxyguanosine F2	NA	167.041075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR333	8-hydroxydeoxyguanosine F2	NA	167.041075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR333	8-hydroxydeoxyguanosine F2	NA	167.041075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR333	8-hydroxydeoxyguanosine F2	NA	167.041075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR333	8-hydroxydeoxyguanosine F2	F2	167.041075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR330	8-hydroxyguanosine F2	NA	167.041675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR330	8-hydroxyguanosine F2	NA	167.041675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR330	8-hydroxyguanosine F2	NA	167.041675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR330	8-hydroxyguanosine F2	NA	167.041675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR330	8-hydroxyguanosine F2	F2	167.041675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ003804	4-Amino-3,6-dihydroxy-1H-pyrazolo[3,4-d]pyrimidine 	C5H5N5O2	167.044324	NA	MeJP	NA	NA
+MJ003805	6-Amino-2,8-dihydroxypurine 	C5H5N5O2	167.044324	NA	MeJP	NA	NA
+MJ003806	Guanine; 7-Oxide 	C5H5N5O2	167.044324	NA	MeJP	NA	NA
+HMDB00401	2,8-Dihydroxyadenine	C5H5N5O2	167.044327	NA	HMDB2010	NA	NA
+HMDB02032	8-Hydroxyguanine	C5H5N5O2	167.044327	NA	HMDB2010	NA	NA
+HMDB02032	8-Hydroxyguanine	C5H5N5O2	167.04433	http://www.hmdb.ca/metabolites/HMDB02032	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00401	2,8-Dihydroxyadenine	C5H5N5O2	167.04433	http://www.hmdb.ca/metabolites/HMDB00401	HMDB	NA	NA
+HMDB02032	8-Hydroxyguanine	C5H5N5O2	167.04433	http://www.hmdb.ca/metabolites/HMDB02032	HMDB	NA	NA
+HMDB02032	8-Hydroxyguanine	C5H5N5O2	167.04433	http://www.hmdb.ca/metabolites/HMDB02032	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00401	2,8-Dihydroxyadenine	C5H5N5O2	167.04433	HMDB00401	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02032	8-Hydroxyguanine	C5H5N5O2	167.04433	HMDB02032	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0204	Creatine [(M+Cl)]-	C4H9ClN3O2	167.046725	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0204	Creatine [(M+Cl)]-	C4H9ClN3O2	167.046725	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003807	Zapotidine 	C7H9N3S	167.051717	NA	MeJP	NA	NA
+CJpos0379	7-Methylxanthine [(M+H)]+ (13C)	C513CH7N4O2	167.051875	C18rt(min)=4.01 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0380	1-Methylxanthine [(M+H)]+ (13C)	C513CH7N4O2	167.051875	C18rt(min)=4.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0381	9-Methylxanthine [(M+H)]+ (13C)	C513CH7N4O2	167.051875	C18rt(min)=4.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0379	7-Methylxanthine [(M+H)]+ (13C)	C513CH7N4O2	167.051875	C18rt(min)=4.01 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0380	1-Methylxanthine [(M+H)]+ (13C)	C513CH7N4O2	167.051875	C18rt(min)=4.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0381	9-Methylxanthine [(M+H)]+ (13C)	C513CH7N4O2	167.051875	C18rt(min)=4.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0205	1-Methylxanthine [(M-H)]- (13C)	C513CH5N4O2	167.053025	C18rt(min)=4.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0206	9-Methylxanthine [(M-H)]- (13C)	C513CH5N4O2	167.053025	C18rt(min)=4.3 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0205	1-Methylxanthine [(M-H)]- (13C)	C513CH5N4O2	167.053025	C18rt(min)=4.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0206	9-Methylxanthine [(M-H)]- (13C)	C513CH5N4O2	167.053025	C18rt(min)=4.3 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR346	Pyridoxal F1	NA	167.056275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR346	Pyridoxal F1	NA	167.056275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR346	Pyridoxal F1	NA	167.056275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR346	Pyridoxal F1	NA	167.056275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR346	Pyridoxal F1	C8H9NO3	167.056275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0382	Pyridoxal isomer [(M+H)]+	C8H10NO3	167.057675	C18rt(min)=1.07 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0382	Pyridoxal isomer [(M+H)]+	C8H10NO3	167.057675	C18rt(min)=1.07 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH158	N-acetyl-D-glucosamine [M+H-3H2O]+	NA	167.05771	1.39	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH158	N-acetyl-D-glucosamine [M+H-3H2O]+	NA	167.05771	1.39	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH158	N-acetyl-D-glucosamine [M+H-3H2O]+	NA	167.05771	1.39	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH158	N-acetyl-D-glucosamine [M+H-3H2O]+	NA	167.05771	1.39	Inhousejuil11	NA	NA
+EUR070	Pyridoxal	C8H9NO3	167.0582	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR070	Pyridoxal	C8H9NO3	167.0582	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR070	Pyridoxal	C8H9NO3	167.0582	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR070	Pyridoxal	C8H9NO3	167.0582	Wishlist	Inhousejuil11	NA	NA
+C00250	Pyridoxal	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C03493	D-4-Hydroxyphenylglycine	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C03986	3-Hydroxy-4-methylanthranilate	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C05831	3-Methoxyanthranilate	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C06051	Isopyridoxal	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C12323	L-4-Hydroxyphenylglycine	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C14170	p-Aminosalicylic acid methyl ester	C8H9NO3	167.0582	NA	KEGG	NA	NA
+C14171	Orthoform	C8H9NO3	167.0582	NA	KEGG	NA	NA
+HMDB01545	Pyridoxal	C8H9NO3	167.05824	http://www.hmdb.ca/metabolites/HMDB01545	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01545	Pyridoxal	C8H9NO3	167.05824	http://www.hmdb.ca/metabolites/HMDB01545	HMDB	NA	NA
+HMDB04290	Isopyridoxal	C8H9NO3	167.05824	http://www.hmdb.ca/metabolites/HMDB04290	HMDB	NA	NA
+HMDB01545	Pyridoxal	C8H9NO3	167.05824	http://www.hmdb.ca/metabolites/HMDB01545	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01545	Pyridoxal	C8H9NO3	167.05824	HMDB01545	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04290	Isopyridoxal	C8H9NO3	167.05824	HMDB04290	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01545	Pyridoxal	C8H9NO3	167.058243	NA	HMDB2010	NA	NA
+HMDB04290	Isopyridoxal	C8H9NO3	167.058243	NA	HMDB2010	NA	NA
+MJ003808	2-Amino-1,4-benzenediol; N-Ac 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003809	2-Amino-2-(4-hydroxyphenyl)acetic acid 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003810	2-Amino-3',4'-dihydroxyacetophenone 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003811	2-Hydroxy-5-isocyano-?-methyl-6-oxabicyclo[3.1.0]hex-3-ene-2-methanol 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003812	3-Amino-4-hydroxybenzoic acid; Me ester 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003813	3-Pyridinecarboxylic acid; N-(2-Hydroxyethyl), betaine 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003814	4,5,6,7-Tetrahydro-6,7-dihydroxy-1H-indol-4-one 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003815	4-(2-Nitroethyl)phenol 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003816	4-Amino-2-hydroxybenzoic acid; Me ester 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003817	4-Amino-3-hydroxybenzoic acid; Me ester 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003818	6-Hydroxy-3-pyridinecarboxylic acid; NH-form, N-Me, Me ester 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003819	Huazhongilexol 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003820	Isonitrin B 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003821	Melanoxazal 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003822	Melanoxidin; 3'-Ketone 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MJ003823	Pyridoxal 	C8H9NO3	167.058243	NA	MeJP	NA	NA
+MetaCyc01301	pyridoxal []	C8H9N1O3	167.058243	66-72-8	metacyc	NA	NA
+MetaCyc01302	D-4-hydroxyphenylglycine []	C8H9N1O3	167.058243	22818-40-2	metacyc	NA	NA
+MetaCyc01303	3-hydroxy-4-methylanthranilate []	C8H9N1O3	167.058243	NA	metacyc	NA	NA
+MetaCyc01304	isopyridoxal []	C8H9N1O3	167.058243	NA	metacyc	NA	NA
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	HMDB	NA	NA
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	Inhouse_PFEM	NA	NA
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR070	Pyridoxal	C8H9NO3	167.058244	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0207	Phenyllactic acid [(M-H)]- (13C)	C813CH9O3	167.066925	C18rt(min)=6.62 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0207	Phenyllactic acid [(M-H)]- (13C)	C813CH9O3	167.066925	C18rt(min)=6.62 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+7643	ACE inhibitor from porcine myosin (307-309)	TTN	167.06845	MH2+	Inhouse_peptide	NA	peptide
+13	Myosin	TTN	167.069	MH2+	Inhouse_peptide	NA	peptide
+MJ003824	Spinacine 	C7H9N3O2	167.069476	NA	MeJP	NA	NA
+C16396	2,4-Diamino-6-nitrotoluene	C7H9N3O2	167.0695	NA	KEGG	NA	NA
+C16397	2,6-Diamino-4-nitrotoluene	C7H9N3O2	167.0695	NA	KEGG	NA	NA
+MJ003825	(2-Trimethylammonioethyl)phosphonic acid betaine 	C5H14NO3P	167.071129	NA	MeJP	NA	NA
+MJ003826	Carbazole 	C12H9N	167.073499	NA	MeJP	NA	NA
+C08060	Carbazole	C12H9N	167.0735	NA	KEGG	NA	NA
+7632	ACE inhibitor from b-Lg (fr, 7-9)	MKG	167.0777	MH2+	Inhouse_peptide	NA	peptide
+C14148	N-Cyclopropylammeline	C6H9N5O	167.0807	NA	KEGG	NA	NA
+MetaCyc01305	N-cyclopropylammeline [2-hydroxy-4-amino-6-(cyclopropylamino)-1,3,5-triazine;]	C6H9N5O1	167.08071	NA	metacyc	NA	NA
+CJpos0383	Phenylalanine [M+H]+ (18O)	C9H12O[18]ON	167.082675	C18rt(min)=4.46 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0383	Phenylalanine [M+H]+ (18O)	C9H12O[18]ON	167.082675	C18rt(min)=4.46 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01869	(-)-Sympatol	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C04548	Synephrine	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C04549	1-Phosphatidyl-1D-myo-inositol 3-phosphate	C11H18O16P2R2	167.0946	NA	KEGG	NA	NA
+C05587	3-Methoxytyramine	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C07146	Metaraminol	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C07441	Phenylephrine	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C07442	Transferred to D00511	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C07453	Epinine	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C07832	Ethinamate	C9H13NO2	167.0946	NA	KEGG	NA	NA
+C08273	2,5-Dihydrophenylalanine	C9H13NO2	167.0946	NA	KEGG	NA	NA
+MJ003827	2-Amino-1-(3-hydroxyphenyl)-1-propanol 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003828	2-Amino-1-(3-hydroxyphenyl)ethanol, N-Me 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003829	3,3-Diethyl-2,4(1H,3H)-pyridinedione 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003830	3-(Dimethylamino)-5-hydroxy-5-vinyl-2-cyclopenten-1-one 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003831	4-Hydroxy-3-methoxyphenethylamine 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003832	8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003833	Epinine 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003834	Ethinamate 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003835	Octopamine, O4-Me 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003836	Synephrine 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003837	?-Amino-1,4-cyclohexadiene-1-propanoic acid 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MJ003838	3-Methoxytyramine 	C9H13NO2	167.094628	NA	MeJP	NA	NA
+MetaCyc01306	4-methoxytyramine [3-hydroxy-4-methoxyphenethylamine;4-O-methyldopamine;]	C9H13N1O2	167.094629	NA	metacyc	NA	NA
+MetaCyc01307	3-methoxytyramine [methoxytyramine;]	C9H13N1O2	167.094629	NA	metacyc	NA	NA
+MetaCyc01308	1-(4-hydroxyphenyl)-2-(methylamino)ethanol []	C9H13N1O2	167.094629	NA	metacyc	NA	NA
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.094635	NA	HMDB2010	NA	NA
+HMDB02182	Phenylephrine	C9H13NO2	167.094635	NA	HMDB2010	NA	NA
+HMDB04826	p-Synephrine	C9H13NO2	167.094635	NA	HMDB2010	NA	NA
+HMDB12162	4-Methoxytyramine	C9H13NO2	167.094635	NA	HMDB2010	NA	NA
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB00022	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB04826	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB00022	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02182	Phenylephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB02182	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB04826	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB00022	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB04826	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB00022	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB04826	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB00022	HMDB	NA	NA
+HMDB02182	Phenylephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB02182	HMDB	NA	NA
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB04826	HMDB	NA	NA
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB00022	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02182	Phenylephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB02182	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	http://www.hmdb.ca/metabolites/HMDB04826	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00022	3-Methoxytyramine	C9H13NO2	167.09464	HMDB00022	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02182	Phenylephrine	C9H13NO2	167.09464	HMDB02182	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04826	p-Synephrine	C9H13NO2	167.09464	HMDB04826	PFEM_hmdb_metabocards_official	NA	NA
+MJ003839	Imifuramine 	C8H13N3O	167.105862	NA	MeJP	NA	NA
+MJ003840	Solsodomine B 	C8H13N3O	167.105862	NA	MeJP	NA	NA
+C10916	2-Dimethylamino-5,6-dimethylpyrimidin-4-ol	C8H13N3O	167.1059	NA	KEGG	NA	NA
+MJ003841	2,4-Decadienoic acid, Amide 	C10H17NO	167.131014	NA	MeJP	NA	NA
+MJ003842	4-Hydroxy-2-(1,3-pentadienyl)piperidine 	C10H17NO	167.131014	NA	MeJP	NA	NA
+MJ003843	Incarvilline; 8,9-Diepimer, 7-ketone, N-de-Me 	C10H17NO	167.131014	NA	MeJP	NA	NA
+MJ003844	Octahydro-4-methyl-2H-quinolizin-2-one 	C10H17NO	167.131014	NA	MeJP	NA	NA
+MJ003845	2,5-Dialkylpyrrolidines; 2-Ethyl-5-pentylpyrrolidine, 1,2-Didehydro 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003846	2,5-Dialkylpyrrolidines; 2-Ethyl-5-pentylpyrrolidine, 1,5-Didehydro 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003847	5-Propylindolizidine 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003848	Dendrobates Alkaloid 167A 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003849	Mecamylamine 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003850	N-Methyl-N-2-propynyl-2-heptanamine 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003851	Skytanthine 	C11H21N	167.167399	NA	MeJP	NA	NA
+MJ003852	Skytanthus acutus Alkaloid B 	C11H21N	167.167399	NA	MeJP	NA	NA
+C07511	Mecamylamine	C11H21N	167.1674	NA	KEGG	NA	NA
+C09987	beta-Skytanthine	C11H21N	167.1674	NA	KEGG	NA	NA
+2737	regulating phosphoinositole mechanism peptide	GFL	167.5865	MH2+	Inhouse_peptide	NA	peptide
+2740	regulating phosphoinositole mechanism peptide	GLF	167.5865	MH2+	Inhouse_peptide	NA	peptide
+3061	fragment of human b-casein fr: 60-62	GFL	167.5865	MH2+	Inhouse_peptide	NA	peptide
+3472	alpha-lactorphin	GLF	167.5865	MH2+	Inhouse_peptide	NA	peptide
+7639	ACE inhibitor from tuna muscles	IFG	167.5865	MH2+	Inhouse_peptide	NA	peptide
+MJ003853	Caesium chloride (CsCl) 	ClCs	167.874299	NA	MeJP	NA	NA
+MJ003854	Methyl (1-propenylthio) selenide 	C4H8SSe	167.951192	NA	MeJP	NA	NA
+MJ003855	Methyl (2-propenylthio) selenide 	C4H8SSe	167.951192	NA	MeJP	NA	NA
+HMDB03288	Selenocysteine	C3H6NO2Se	167.956375	NA	HMDB2010	NA	NA
+HMDB04122	Selenocystine	C6H12N2O4Se2	167.956375	MH2+	Inhouse_peptide	NA	peptide
+HMDB03288	Selenocysteine	C3H6NO2Se	167.95638	http://www.hmdb.ca/metabolites/HMDB03288	HMDB	NA	NA
+HMDB03288	Selenocysteine	C3H6NO2Se	167.95638	HMDB03288	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04045	3-Sulfopyruvic acid	C3H4O6S	167.97285	http://www.hmdb.ca/metabolites/HMDB04045	HMDB	NA	NA
+HMDB04045	3-Sulfopyruvic acid	C3H4O6S	167.97285	HMDB04045	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04045	3-Sulfopyruvic acid	C3H4O6S	167.972855	NA	HMDB2010	NA	NA
+MJ003856	3-Sulfopyruvate 	C3H4O6S	167.972858	NA	MeJP	NA	NA
+MetaCyc01309	sulfopyruvate [3-sulfopyruvate;]	C3H4O6S1	167.972859	NA	metacyc	NA	NA
+C05528	3-Sulfopyruvate	C3H4O6S	167.9729	NA	KEGG	NA	NA
+MJ003857	1-Chloro-1,1,3,3,3-pentafluoropropane 	C3H2ClF5	167.976518	NA	MeJP	NA	NA
+MJ003858	3-Phosphonopyruvate 	C3H5O6P	167.982374	NA	MeJP	NA	NA
+MJ003859	Phosphoenolpyruvate 	C3H5O6P	167.982374	NA	MeJP	NA	NA
+MJ003860	2-Oxo-3-phosphonopropanoic acid 	C3H5O6P	167.982374	NA	MeJP	NA	NA
+MetaCyc01310	phosphoenolpyruvate [P-enol-pyruvate;P-enol-pyr;PEP;]	C3H5O6P1	167.982374	138-08-9	metacyc	NA	NA
+MetaCyc01311	3-phosphonopyruvate []	C3H5O6P1	167.982374	NA	metacyc	NA	NA
+HMDB00263	Phosphoenolpyruvic acid	C3H5O6P	167.982376	NA	HMDB2010	NA	NA
+HMDB00263	Phosphoenolpyruvic acid	C3H5O6P	167.98238	http://www.hmdb.ca/metabolites/HMDB00263	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00263	Phosphoenolpyruvic acid	C3H5O6P	167.98238	http://www.hmdb.ca/metabolites/HMDB00263	HMDB	NA	NA
+HMDB00263	Phosphoenolpyruvic acid	C3H5O6P	167.98238	http://www.hmdb.ca/metabolites/HMDB00263	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00263	Phosphoenolpyruvic acid	C3H5O6P	167.98238	HMDB00263	PFEM_hmdb_metabocards_official	NA	NA
+C00074	Phosphoenolpyruvate	C3H5O6P	167.9824	NA	KEGG	NA	NA
+C02798	3-Phosphonopyruvate	C3H5O6P	167.9824	NA	KEGG	NA	NA
+C16849	Hydroxypyruvaldehyde phosphate	C3H5O6P	167.9824	NA	KEGG	NA	NA
+MJ003861	6-Hydroxy-1,3-benzoxathiol-2-one 	C7H4O3S	167.988114	NA	MeJP	NA	NA
+MJ003862	4-Hydroxy-3-dithiolanemethanol, 1R-Oxide 	C4H8O3S2	167.991485	NA	MeJP	NA	NA
+MJ003863	4-Hydroxy-3-dithiolanemethanol, 1S-Oxide 	C4H8O3S2	167.991485	NA	MeJP	NA	NA
+MJ003864	4-Hydroxy-3-dithiolanemethanol, 2R-Oxide 	C4H8O3S2	167.991485	NA	MeJP	NA	NA
+MJ003865	4-Hydroxy-3-dithiolanemethanol, 2S-Oxide 	C4H8O3S2	167.991485	NA	MeJP	NA	NA
+MJ003866	Desflurane 	C3H2F6O	168.000983	NA	MeJP	NA	NA
+C07519	Desflurane	C3H2F6O	168.001	NA	KEGG	NA	NA
+C13841	Zoxazolamine	C7H5ClN2O	168.009	NA	KEGG	NA	NA
+MJ003867	2-Amino-5-chlorobenzoxazole 	C7H5ClN2O	168.00904	NA	MeJP	NA	NA
+MJ003868	1-(Ethylthio)ethyl methyl disulfide 	C5H12S3	168.010112	NA	MeJP	NA	NA
+MJ003869	Ethyl (ethylthio)methyl disulfide 	C5H12S3	168.010112	NA	MeJP	NA	NA
+MJ003870	Ethyl 1-(methylthio)ethyl disulfide 	C5H12S3	168.010112	NA	MeJP	NA	NA
+MJ003871	Methyl 1-(methylthio)propyl disulfide 	C5H12S3	168.010112	NA	MeJP	NA	NA
+C14702	1,2-Dinitrobenzene	C6H4N2O4	168.0171	NA	KEGG	NA	NA
+MJ003872	Butanoylphosphate 	C4H9O5P	168.018759	NA	MeJP	NA	NA
+MetaCyc01312	2-methylpropanoyl phosphate [2-Methylpropionyl phosphate;]	C4H9O5P1	168.01876	NA	metacyc	NA	NA
+MetaCyc01313	butyryl phosphate [butyryl-P;butanoyl phosphate;phosphobutyrate;]	C4H9O5P1	168.01876	NA	metacyc	NA	NA
+C02527	Butanoylphosphate	C4H9O5P	168.0188	NA	KEGG	NA	NA
+C03754	2-Methylpropanoyl phosphate	C4H9O5P	168.0188	NA	KEGG	NA	NA
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR277	Acide urique F1	NA	168.027375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR277	Acide urique F1	NA	168.027375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR277	Acide urique F1	NA	168.027375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR277	Acide urique F1	NA	168.027375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR277	Uric acid 	C5H4N4O3	168.027375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0384	Uric acid [(M+H)]+	C5H5N4O3	168.027775	C18rt(min)=1.37 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0385	Uric acid [(M+H)]+	C5H5N4O3	168.027775	C18rt(min)=1.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0384	Uric acid [(M+H)]+	C5H5N4O3	168.027775	C18rt(min)=1.37 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0385	Uric acid [(M+H)]+	C5H5N4O3	168.027775	C18rt(min)=1.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH066	Uric acid [M+H]+	C5H4N4O3	168.0278	2.38	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH066	Uric acid [M+H]+	C5H4N4O3	168.0278	2.38	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH066	Uric acid [M+H]+	C5H4N4O3	168.0278	2.38	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH066	Uric acid [M+H]+	C5H4N4O3	168.0278	2.38	Inhousejuil11	NA	NA
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR556	uric acid	[M+H]+	168.028175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR556	uric acid	[M+H]+	168.028175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR556	uric acid	[M+H]+	168.028175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR556	Uric acid	NA	168.028175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR556	uric acid	[M+H]+	168.028175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR556	Uric acid	NA	168.028175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR067	Uric acid	C5H4N4O3	168.0283	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR620	Uric acid 	[M+H]+	168.0283	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR067	Uric acid	C5H4N4O3	168.0283	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR620	Uric acid 	[M+H]+	168.0283	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR067	Uric acid	C5H4N4O3	168.0283	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR620	Uric acid 	[M+H]+	168.0283	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR067	Uric acid	C5H4N4O3	168.0283	Wishlist	Inhousejuil11	NA	NA
+EUR620	Uric acid 	[M+H]+	168.0283	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00366	Urate	C5H4N4O3	168.0283	NA	KEGG	NA	NA
+C00367	Casein	C5H4N4O3	168.0283	NA	KEGG	NA	NA
+C00369	Starch	C5H4N4O3	168.0283	NA	KEGG	NA	NA
+HMDB00289	Uric acid	C5H4N4O3	168.028336	NA	HMDB2010	NA	NA
+HMDB00289	Uric acid	C5H4N4O3	168.028336	169.035536	Inhouse_sept12	NA	NA
+HMDB00289	Uric acid	C5H4N4O3	168.02834	http://www.hmdb.ca/metabolites/HMDB00289	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00289	Uric acid	C5H4N4O3	168.02834	http://www.hmdb.ca/metabolites/HMDB00289	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00289	Uric acid	C5H4N4O3	168.02834	http://www.hmdb.ca/metabolites/HMDB00289	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00289	Uric acid	C5H4N4O3	168.02834	http://www.hmdb.ca/metabolites/HMDB00289	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00289	Uric acid	C5H4N4O3	168.02834	http://www.hmdb.ca/metabolites/HMDB00289	HMDB	NA	NA
+MJ003873	Uric acid 	C5H4N4O3	168.02834	NA	MeJP	NA	NA
+HMDB00289	Uric acid	C5H4N4O3	168.02834	http://www.hmdb.ca/metabolites/HMDB00289	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00289	Uric acid	C5H4N4O3	168.02834	HMDB00289	PFEM_hmdb_metabocards_official	NA	NA
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	HMDB	NA	NA
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	Inhouse_PFEM	NA	NA
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR067	Uric acid	C5H4N4O3	168.028341	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0208	Uric acid [(M-H)]-	C5H3N4O3	168.028925	C18rt(min)=1.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0209	Uric acid [(M-H)]-	C5H3N4O3	168.028925	C18rt(min)=1.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0208	Uric acid [(M-H)]-	C5H3N4O3	168.028925	C18rt(min)=1.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0209	Uric acid [(M-H)]-	C5H3N4O3	168.028925	C18rt(min)=1.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ003874	7-Chloro-4-indanol 	C9H9ClO	168.034192	NA	MeJP	NA	NA
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	PFEM_hmdb_metabocards_urine	NA	urine
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	11.86	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	11.86	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	11.86	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	HMDB	NA	NA
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	Inhouse_PFEM	NA	NA
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	11.86	Inhousejuil11	NA	NA
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	PFEM_hmdb_metabocards_blood	NA	blood
+JH067	Dihydroxyphenyl acetic acid (3,4-) [M+H]+	C8H8O4	168.0366	Rtobs11.86	PFEM_hmdb_metabocards_official	NA	NA
+PFEM083F1	Uric acid	F1	168.0371	NA	Inhouse_original	NA	NA
+JH191	Phloretin (fragment2)	NA	168.0394	17.67	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH191	Phloretin (fragment2)	NA	168.0394	17.67	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH191	Phloretin (fragment2)	NA	168.0394	17.67	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH191	Phloretin (fragment2)	NA	168.0394	17.67	Inhousejuil11	NA	NA
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	PFEM_hmdb_metabocards_urine	NA	urine
+JH070	Vanillic acid [M+H]+	C8H8O4	168.0409	11.79	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH070	Vanillic acid [M+H]+	C8H8O4	168.0409	11.79	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH070	Vanillic acid [M+H]+	C8H8O4	168.0409	11.79	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	HMDB	NA	NA
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	Inhouse_PFEM	NA	NA
+JH070	Vanillic acid [M+H]+	C8H8O4	168.0409	11.79	Inhousejuil11	NA	NA
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	PFEM_hmdb_metabocards_blood	NA	blood
+JH070	Vanillic acid 	C8H8O4	168.0409	Rtobs11.79	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00130	Homogentisic acid	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+HMDB00484	Vanillic acid	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+HMDB00822	p-Hydroxymandelic acid	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+HMDB01868	5-Methoxysalicylic acid	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+HMDB06242	3,4-Dihydroxymandelaldehyde	C8H8O4	168.042252	NA	HMDB2010	NA	NA
+MJ003875	2,6-Dihydroxyphenylacetate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003876	2-Hydroxy-6-oxoocta-2,4,7-trienoate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003877	3,4-Dihydroxymandelaldehyde 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003878	3,4-Dihydroxyphenylacetate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003879	(R)-4-Hydroxymandelate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003880	(S)-4-Hydroxymandelate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003881	Homogentisate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003882	Vanillate 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003883	(2,4-Dihydroxyphenyl)acetic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003884	(2,5-Dihydroxyphenyl)acetic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003885	(3,4-Dihydroxyphenyl)acetic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003886	1,2,3-Benzenetriol; 1-Ac 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003887	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003888	2',3',4'-Trihydroxyacetophenone 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003889	2',4',6'-Trihydroxyacetophenone 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003890	2,3',4'-Trihydroxyacetophenone 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003891	2,3-Dihydroxy-1,4-benzoquinone; Di-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003892	2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003893	2,3-Dihydroxy-5-methyl-1,4-benzoquinone; 2-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003894	2,3-Dihydroxy-5-methyl-1,4-benzoquinone; 3-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003895	2,3-Dihydroxybenzoic acid; 3-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003896	2,4-Dihydroxy-6-hydroxymethylbenzaldehyde 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003897	2,4-Dihydroxy-6-methylbenzoic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003898	2,4-Dihydroxybenzoic acid; 2-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003899	2,4-Dihydroxybenzoic acid; 4-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003900	2,4-Dihydroxybenzoic acid; Me ester 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003901	2,5-Dihydroxy-1,4-benzoquinone; Di-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003902	2,5-Dihydroxybenzoic acid; Me ester 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003903	2,6-Dihydroxy-1,4-benzoquinone; Di-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003904	2,6-Dihydroxy-3,5-dimethyl-1,4-benzoquinone 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003905	2,6-Dihydroxy-4-methylbenzoic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003906	2,6-Dihydroxybenzoic acid; Mono-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003907	2-Hydroxy-2-(4-hydroxyphenyl)acetic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003908	3,3a,7,7a-Tetrahydro-3a-hydroxy-2,6-benzofurandione 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003909	3,4,6-Trihydroxy-2-methylbenzaldehyde 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003910	3,4-Dihydroxybenzoic acid; 3-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003911	3,4-Dihydroxybenzoic acid; 4-Me ether 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003912	3,4-Dihydroxybenzoic acid; Me ester 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003913	3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003914	3-Ethyl-2,5-dihydroxy-1,4-benzoquinone 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003915	4-Ethyl-2-oxo-2H-pyran-6-carboxylic acid 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003916	4-Hydroxy-6-(2-oxopropyl)-2H-pyran-2-one 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003917	Citreopyrones; Citreopyrone C 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003918	Griffonilide 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MJ003919	Xanthofusin 	C8H8O4	168.042258	NA	MeJP	NA	NA
+MetaCyc01314	vanillate [4-hydroxy-3-methoxybenzoate;]	C8H8O4	168.042259	NA	metacyc	NA	NA
+MetaCyc01315	homogentisate [2,5-dihydroxyphenylacetate;]	C8H8O4	168.042259	NA	metacyc	NA	NA
+MetaCyc01316	3,4-dihydroxyphenylglycolaldehyde []	C8H8O4	168.042259	NA	metacyc	NA	NA
+MetaCyc01317	3,4-dihydroxyphenylacetate [3,4-Dihydroxyphenylacetic acid;Homoprotocatechuate;]	C8H8O4	168.042259	102-32-9	metacyc	NA	NA
+MetaCyc01318	orsellinate [o-Orsellinic acid;2,4-Dihydroxy-6-methylbenzoic acid;2,4-Dihydroxy-6-methylbenzoate;4,6-Dihydroxy-o-toluic acid;]	C8H8O4	168.042259	480-64-8	metacyc	NA	NA
+MetaCyc01319	(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate []	C8H8O4	168.042259	NA	metacyc	NA	NA
+MetaCyc01320	(S)-4-Hydroxymandelate [L-p-hydroxymandelate;L-4-hydroxymandelate;]	C8H8O4	168.042259	NA	metacyc	NA	NA
+MetaCyc01321	(R)-4-Hydroxymandelate [D-p-hydroxymandelate;D-4-hydroxymandelate;]	C8H8O4	168.042259	NA	metacyc	NA	NA
+MetaCyc01322	4-hydroxymandelate []	C8H8O4	168.042259	NA	metacyc	NA	NA
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00130	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00750	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00822	p-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00822	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01336	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00130	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00484	Vanillic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00484	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00750	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01336	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00130	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00750	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00822	p-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00822	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01336	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00130	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00750	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00822	p-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00822	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01336	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00130	HMDB	NA	NA
+HMDB00484	Vanillic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00484	HMDB	NA	NA
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00750	HMDB	NA	NA
+HMDB00822	p-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00822	HMDB	NA	NA
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01336	HMDB	NA	NA
+HMDB01868	5-Methoxysalicylic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01868	HMDB	NA	NA
+HMDB06242	3,4-Dihydroxymandelaldehyde	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB06242	HMDB	NA	NA
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00130	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00484	Vanillic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00484	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB00750	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	http://www.hmdb.ca/metabolites/HMDB01336	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00130	Homogentisic acid	C8H8O4	168.04227	HMDB00130	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00484	Vanillic acid	C8H8O4	168.04227	HMDB00484	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00750	3-Hydroxymandelic acid	C8H8O4	168.04227	HMDB00750	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00822	p-Hydroxymandelic acid	C8H8O4	168.04227	HMDB00822	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01336	3,4-Dihydroxybenzeneacetic acid	C8H8O4	168.04227	HMDB01336	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01868	5-Methoxysalicylic acid	C8H8O4	168.04227	HMDB01868	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06242	3,4-Dihydroxymandelaldehyde	C8H8O4	168.04227	HMDB06242	PFEM_hmdb_metabocards_official	NA	NA
+C00544	Homogentisate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C01161	3,4-Dihydroxyphenylacetate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C01839	Orsellinate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C03198	(S)-4-Hydroxymandelate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C03235	4-Hydroxypheoxyacetate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C03236	5'-Phosphodinucleotide	C10H18O13P2R2	168.0423	NA	KEGG	NA	NA
+C05343	(R)-4-Hydroxymandelate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C05577	3,4-Dihydroxymandelaldehyde	C8H8O4	168.0423	NA	KEGG	NA	NA
+C06207	2,6-Dihydroxyphenylacetate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C06672	Vanillate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C07087	2-Hydroxy-6-oxoocta-2,4,7-trienoate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C10331	2,6-Dimethoxybenzoquinone	C8H8O4	168.0423	NA	KEGG	NA	NA
+C11527	4-Hydroxymandelate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C11529	N-Carbamoyl-L-amino acid	C3H5N2O3R	168.0423	NA	KEGG	NA	NA
+C11531	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranoside	C11H19O10R	168.0423	NA	KEGG	NA	NA
+C14109	4-Hydroxymethylsalicylate	C8H8O4	168.0423	NA	KEGG	NA	NA
+C16215	1,2-Dihydrophthalic acid	C8H8O4	168.0423	NA	KEGG	NA	NA
+CJneg0210	3,4-dihydroxyphenylacetic acid [(M-H)]-	C8H7O4	168.042825	C18rt(min)=5.21 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0211	3-Methoxysalicylic acid [(M-H)]-	C8H7O4	168.042825	C18rt(min)=6.9 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0212	4-hydroxymandelic acid [(M-H)]-	C8H7O4	168.042825	C18rt(min)=2.53 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0213	Methoxysalicylic acid isomer [(M-H)]-	C8H7O4	168.042825	C18rt(min)=6.9 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0214	Methoxysalicylic acid isomer [(M-H)]-	C8H7O4	168.042825	C18rt(min)=6.2 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0215	Hydroxymandelic acid isomer [(M-H)]-	C8H7O4	168.042825	C18rt(min)=5.6 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0210	3,4-dihydroxyphenylacetic acid [(M-H)]-	C8H7O4	168.042825	C18rt(min)=5.21 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0211	3-Methoxysalicylic acid [(M-H)]-	C8H7O4	168.042825	C18rt(min)=6.9 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0212	4-hydroxymandelic acid [(M-H)]-	C8H7O4	168.042825	C18rt(min)=2.53 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0213	Methoxysalicylic acid isomer [(M-H)]-	C8H7O4	168.042825	C18rt(min)=6.9 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0214	Methoxysalicylic acid isomer [(M-H)]-	C8H7O4	168.042825	C18rt(min)=6.2 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0215	Hydroxymandelic acid isomer [(M-H)]-	C8H7O4	168.042825	C18rt(min)=5.6 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0386	Glutamine [M+Na]+ 	C5H10O3N2Na	168.050575	C18rt(min)=0.87 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0386	Glutamine [M+Na]+ 	C5H10O3N2Na	168.050575	C18rt(min)=0.87 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ003920	2-Amino-1,4-benzenediol; N-Me, N-nitroso 	C7H8N2O3	168.053492	NA	MeJP	NA	NA
+HMDB13159	2,3-Diaminosalicylic acid	C7H8N2O3	168.053497	NA	HMDB2010	NA	NA
+CJneg0216	1-Methylxanthine [(M-H)]- (18O)	C6H5N4O18O	168.053825	C18rt(min)=4.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0216	1-Methylxanthine [(M-H)]- (18O)	C6H5N4O18O	168.053825	C18rt(min)=4.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07729	Dibenzofuran	C12H8O	168.0575	NA	KEGG	NA	NA
+C07730	Transferred to D00632	C12H8O	168.0575	NA	KEGG	NA	NA
+C08398	Capillin	C12H8O	168.0575	NA	KEGG	NA	NA
+MJ003921	1-Phenyl-2,4-hexadiyn-1-one 	C12H8O	168.057514	NA	MeJP	NA	NA
+MJ003922	Dibenzofuran 	C12H8O	168.057514	NA	MeJP	NA	NA
+MetaCyc01323	dibenzofuran [DBF;diphenylene oxide;]	C12H8O1	168.057515	132-64-9	metacyc	NA	NA
+C15075	3-Fluoro-1-(4-hydroxyphenyl)-1-propanone	C9H9FO2	168.0587	NA	KEGG	NA	NA
+C14149	N-Cyclopropylammelide	C6H8N4O2	168.0647	NA	KEGG	NA	NA
+MJ003923	Azepinomycin 	C6H8N4O2	168.064725	NA	MeJP	NA	NA
+MetaCyc01324	N-cyclopropylammelide [6-(cyclopropylamino)-1,3,5-triazine-2,4-diol;2,4-dihydroxy-6-(cyclopropylamino)-1,3,5-triazine;]	C6H8N4O2	168.064726	NA	metacyc	NA	NA
+C11320	D-Ornithine hydrochloride	C5H12N2O2	168.0666	NA	KEGG	NA	NA
+MJ003924	3-(2-Isocyanoethenyl)-1H-indole 	C11H8N2	168.068748	NA	MeJP	NA	NA
+MJ003925	?-Carboline 	C11H8N2	168.068748	NA	MeJP	NA	NA
+MJ003926	6-Amino-4,5,6,7-tetrahydrobenzothiazole; N-Me 	C8H12N2S	168.072119	NA	MeJP	NA	NA
+C16250	MTIC	C5H8N6O	168.076	NA	KEGG	NA	NA
+MJ003927	1-(3,5-Dihydroxyphenyl)-2-propanol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003928	1-(3-Furanyl)-1,4-pentanediol; 1-Ketone 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003929	1-(3-Furanyl)-1,4-pentanediol; 4-Ketone 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003930	1-(4-Hydroxyphenyl)-1,2-ethanediol, 4'-Me ether 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003931	1-(4-Hydroxyphenyl)-1,2-propanediol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003932	2,4-Dimethyl-1,3,5-benzenetriol; 3-Me ether 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003933	2,5-Dihydroxybenzyl alcohol; 2-Et ether 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003934	2-(2-Hydroxyethyl)-4-methoxyphenol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003935	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003936	2-Hydroxy-2,4-dimethyl-5-propenyl-3(2H)-furanone 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003937	3,4-Dimethoxybenzyl alcohol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003938	3,5-Nonadiyne-1,2,7-triol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003939	3-(3,4-Dihydroxyphenyl)-1-propanol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003940	3-(4-Hydroxyphenyl)-1,2-propanediol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003941	5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003942	5-Methyl-1,2,3-benzenetriol; 1,3-Di-Me ether 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003943	6-(3-Oxo-1-cyclopropen-1-yl)hexanoic acid 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003944	6-Ethyl-4-hydroxy-3,5-dimethyl-2H-pyran-2-one 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003945	6-Ethyl-4-methoxy-5-methyl-2H-pyran-2-one 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003946	Avellaneol 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003947	Crescentin V 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MJ003948	Serpenone 	C9H12O3	168.078644	NA	MeJP	NA	NA
+MetaCyc01325	6-isobutyl-4-hydroxy-2-pyrone []	C9H12O3	168.078644	NA	metacyc	NA	NA
+C06459	N-Trimethyl-2-aminoethylphosphonate	C5H15NO3P	168.079	NA	KEGG	NA	NA
+C06461	Hydroxyaldehyde	C2H3O2R	168.079	NA	KEGG	NA	NA
+CJpos0387	Lysine [M+Na]+	C6H14O2N2Na	168.086975	C18rt(min)=0.8 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0387	Lysine [M+Na]+	C6H14O2N2Na	168.086975	C18rt(min)=0.8 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0388	Pyridoxamine isomer [(M+H)]+	C8H13N2O2	168.089375	C18rt(min)=4.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0389	Pyridoxamine isomer [(M+H)]+	C8H13N2O2	168.089375	C18rt(min)=4.45 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0388	Pyridoxamine isomer [(M+H)]+	C8H13N2O2	168.089375	C18rt(min)=4.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0389	Pyridoxamine isomer [(M+H)]+	C8H13N2O2	168.089375	C18rt(min)=4.45 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01431	Pyridoxamine	C8H12N2O2	168.08987	http://www.hmdb.ca/metabolites/HMDB01431	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01431	Pyridoxamine	C8H12N2O2	168.08987	http://www.hmdb.ca/metabolites/HMDB01431	HMDB	NA	NA
+HMDB01431	Pyridoxamine	C8H12N2O2	168.08987	http://www.hmdb.ca/metabolites/HMDB01431	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01431	Pyridoxamine	C8H12N2O2	168.08987	HMDB01431	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01431	Pyridoxamine	C8H12N2O2	168.089874	NA	HMDB2010	NA	NA
+MJ003949	Pyridoxamine 	C8H12N2O2	168.089877	NA	MeJP	NA	NA
+MJ003950	3-Isopropyl-6-methylene-2,5-piperazinedione 	C8H12N2O2	168.089877	NA	MeJP	NA	NA
+MJ003951	Cyclo(prolylalanyl) 	C8H12N2O2	168.089877	NA	MeJP	NA	NA
+MJ003952	Loline; N-De-Me, N-formyl 	C8H12N2O2	168.089877	NA	MeJP	NA	NA
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	HMDB	NA	NA
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc01326	pyridoxamine [PM;]	C8H12N2O2	168.089878	85-87-0	metacyc	NA	NA
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR072	Pyridoxamine	C8H12N2O2	168.089878	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR072	Pyridoxamine	C8H12N2O2	168.0899	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR072	Pyridoxamine	C8H12N2O2	168.0899	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR072	Pyridoxamine	C8H12N2O2	168.0899	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR072	Pyridoxamine	C8H12N2O2	168.0899	Wishlist	Inhousejuil11	NA	NA
+C00534	Pyridoxamine	C8H12N2O2	168.0899	NA	KEGG	NA	NA
+C11846	Cyclo(deltaAla-L-Val)	C8H12N2O2	168.0899	NA	KEGG	NA	NA
+C13710	4-PIOL	C8H12N2O2	168.0899	NA	KEGG	NA	NA
+MJ003953	1,3,5,11-Tridecatetraene-7,9-diyne 	C13H12	168.0939	NA	MeJP	NA	NA
+MJ003954	2,4,6,8-Tridecatetrayne 	C13H12	168.0939	NA	MeJP	NA	NA
+C00848	6-Oxocineole	C10H16O2	168.115	NA	KEGG	NA	NA
+C02108	1,2-Campholide	C10H16O2	168.115	NA	KEGG	NA	NA
+C02109	1-N-Hydromicin	C10H16O2	168.115	NA	KEGG	NA	NA
+C03448	(+)-exo-5-Hydroxycamphor	C10H16O2	168.115	NA	KEGG	NA	NA
+C06069	Iridodial	C10H16O2	168.115	NA	KEGG	NA	NA
+C08489	(Z)-3,5-Hexadienyl butyrate	C10H16O2	168.115	NA	KEGG	NA	NA
+C08498	Lilac aldehyde	C10H16O2	168.115	NA	KEGG	NA	NA
+C08546	Tiglyl tiglate	C10H16O2	168.115	NA	KEGG	NA	NA
+C09785	(+)-Iridodial	C10H16O2	168.115	NA	KEGG	NA	NA
+C09786	Iridomyrmecin	C10H16O2	168.115	NA	KEGG	NA	NA
+C09804	(+)-Iridodial	C10H16O2	168.115	NA	KEGG	NA	NA
+C09836	Ascaridole	C10H16O2	168.115	NA	KEGG	NA	NA
+C09842	Chrysanthemic acid	C10H16O2	168.115	NA	KEGG	NA	NA
+C09854	Diosphenol	C10H16O2	168.115	NA	KEGG	NA	NA
+C11402	(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone	C10H16O2	168.115	NA	KEGG	NA	NA
+C11403	(3S,6R)-6-Isopropenyl-3-methyl-2-oxo-oxepanone	C10H16O2	168.115	NA	KEGG	NA	NA
+C11414	(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone	C10H16O2	168.115	NA	KEGG	NA	NA
+C11418	(3S,6S)-6-Isopropenyl-3-methyl-2-oxo-oxepanone	C10H16O2	168.115	NA	KEGG	NA	NA
+C11651	8-Epiiridodial	C10H16O2	168.115	NA	KEGG	NA	NA
+C11937	(1S,4R)-1-Hydroxy-2-oxolimonene	C10H16O2	168.115	NA	KEGG	NA	NA
+C11943	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid	C10H16O2	168.115	NA	KEGG	NA	NA
+C11944	cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid	C10H16O2	168.115	NA	KEGG	NA	NA
+C16461	Geranic acid	C10H16O2	168.115	NA	KEGG	NA	NA
+C18019	1-Hydroxy-p-Menth-8-en-2-one	C10H16O2	168.115	NA	KEGG	NA	NA
+MJ003955	1,2-Epoxy-p-menthan-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003956	1,3(8)-Ochtodiene-5,6-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003957	1,4-Epoxy-o-menth-2-en-8-ol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003958	1,4-Ochtodiene-3,6-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003959	1,7-Octadien-3-ol, Ac 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003960	1,8-Epoxy-p-menthane; 3-Oxo 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003961	1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane, 2'-Carboxylic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003962	1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propen-1-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003963	10-Pinanol, Carboxylic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003964	2(10)-Pinene-3,6-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003965	2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003966	2,3-Epoxy-2,6-dimethyl-5,7-octadien-4-ol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003967	2,3-Epoxy-3,7-dimethyl-6-octenal 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003968	2,4,4-Trimethyl-1-cyclohexene-1-carboxaldehyde; Carboxylic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003969	2,4-Decadienoic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003970	2,4-Ochtodiene-1,6-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003971	2,4-Octadien-1-ol, Ac 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003972	2,5-Dihydro-2-hydroxy-3-methyl-2-(3-methyl-2-butenyl)furan 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003973	2,5-Dimethyl-4-vinyl-1,5-hexadien-3-ol, 3-Hydroperoxide 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003974	2-Cyclopentene-1-pentanoic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003975	2-Hydroxy-4-pinanone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003976	2-Hydroxy-p-menth-1-en-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003977	2-Methyl-6-methylene-1,7-octadiene; 3-Hydroperoxy 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003978	2-Methyl-6-methylene-3,7-octadien-2-ol, 2-Hydroperoxide 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003979	2-Pinene-4,10-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003980	2-Pinene-9,10-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003981	3,3,6-Trimethyl-1,5-heptadien-4-one; 5,6-Epoxide 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003982	3,6-Epidioxy-p-menth-1-ene 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003983	3,7-Dimethyl-2,6-octadienoic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003984	3,9-Epoxy-p-menth-1-en-8-ol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003985	3-Cyclohexyl-2-butenoic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003986	3-Hydroxy-2-bornanone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003987	3-Hydroxy-p-menth-1-en-6-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003988	3-Hydroxy-p-menth-1-en-7-al 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003989	3-Hydroxy-p-menth-3-en-2-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003990	4,7-Octadienoic acid, Et ester 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003991	4,8-Epoxy-p-menthan-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003992	4-Decen-9-olide 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003993	4-Hydroxy-2-(4-methyl-3-pentenyl)-2-butenal 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003994	4-Hydroxy-p-menth-1-en-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003995	4-Hydroxy-p-menth-8-en-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003996	5,6-Dihydro-6-pentyl-2H-pyran-2-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003997	5-(1-Hexenyl)-dihydro-2(3H)-furanone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003998	5-(3-Hexenyl)-dihydro-2(3H)-furanone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ003999	5-Hydroxy-2,5-dimethyl-4-vinyl-2-hexenal 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004000	5-Hydroxy-p-menth-1-en-6-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004001	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004002	5-Methyl-3-(3-methylbutyl)-2(5H)-furanone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004003	6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004004	6-Hydroxy-2-camphanone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004005	6-Hydroxy-p-menth-1-en-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004006	7-Hydroxy-p-menth-1-en-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004007	8-Hydroxy-p-menth-4-en-3-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004008	8-Hydroxy-p-menth-6-en-2-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004009	8-Nonynoic acid; Me ester 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004010	9-Decynoic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004011	Allomatatabiol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004012	Ascaridole 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004013	Bottrospicatol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004014	Campholenic alcohol; Aldehyde, 3,4-epoxide 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004015	Chrysanthemic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004016	Dihydronepetalactone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004017	Eldanolide 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004018	Fliederaldehyde 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004019	Iridodial 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004020	Iridomyrmecin 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004021	Lineatin 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004022	Matatabiol 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004023	Pyrocin 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004024	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; 3-Ketone 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004025	Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004026	p-Menth-1-en-7-oic acid 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004027	6-Oxocineole 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MJ004028	Iridodial 	C10H16O2	168.115029	NA	MeJP	NA	NA
+MetaCyc01327	5-exo-hydroxycamphor [(+)-exo-5-hydroxycamphor;(+)-5-exo-hydroxycamphor;]	C10H16O2	168.11503	1607-84-7	metacyc	NA	NA
+MetaCyc01328	6-oxocineole [(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one;]	C10H16O2	168.11503	NA	metacyc	NA	NA
+MetaCyc01329	nerolate [nerolic acid;geranic acid;3,7-dimethyl-2,6-octadienoic acid;neric acid;]	C10H16O2	168.11503	NA	metacyc	NA	NA
+MJ004029	Loline; N-Me 	C9H16N2O	168.126263	NA	MeJP	NA	NA
+MJ004030	1,5-Undecadien-3-ol 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004031	1-Undecen-3-one 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004032	10-Undecen-2-one 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004033	2,6-Diethyl-3,4-dihydro-3,5-dimethyl-2H-pyran 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004034	2-Methyl-2-bornanol 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004035	2-Undecenal 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004036	3-Isopropyl-6-methyl-4,6-heptadien-1-ol 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004037	3-Methyl-3-decen-2-one 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004038	4,6-Dimethyl-6-nonen-3-one 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004039	5-Undecen-2-one 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004040	?-Cyclohomogeraniol 	C11H20O	168.151415	NA	MeJP	NA	NA
+MJ004041	1,1'-Bipiperidine 	C10H20N2	168.162648	NA	MeJP	NA	NA
+3380	ACE inhibitor	RY	168.582	MH2+	Inhouse_peptide	NA	peptide
+MJ004042	Silver nitrate (AgNO3) 	AgNO3	168.89291	NA	MeJP	NA	NA
+MetaCyc01330	AgNO3 [silver nitrate;nitric acid, silver(1+) salt;lunar caustic;argerol;argenti nitras;silver mononitrate;]	N1O3AG1	168.892911	NA	metacyc	NA	NA
+C05688	L-Selenocysteine	C3H7NO2Se	168.9642	NA	KEGG	NA	NA
+MJ004043	Selenocysteine 	C3H7NO2Se	168.9642	NA	MeJP	NA	NA
+MetaCyc01331	L-selenocysteine [seleno-cysteine;]	C3H7N1O2SE1	168.9642	NA	metacyc	NA	NA
+C07279	2-Aminoethylarsonate	C2H8AsNO3	168.972	NA	KEGG	NA	NA
+CJpos0390	Taurine (and isomer) [(M-H)+2(Na)]+	C2H6O3NNa2S	168.977975	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0390	Taurine (and isomer) [(M-H)+2(Na)]+	C2H6O3NNa2S	168.977975	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004044	5-Chloro-2(3H)-benzoxazolone 	C7H4ClNO2	168.993056	NA	MeJP	NA	NA
+C07931	Chlorzoxazone	C7H4ClNO2	168.9931	NA	KEGG	NA	NA
+C07932	Transferred to D00772	C7H4ClNO2	168.9931	NA	KEGG	NA	NA
+HMDB02757	Cysteic acid	C3H7NO5S	169.004486	NA	HMDB2010	NA	NA
+HMDB02757	Cysteic acid	C3H7NO5S	169.00449	http://www.hmdb.ca/metabolites/HMDB02757	HMDB	NA	NA
+HMDB02757	Cysteic acid	C3H7NO5S	169.00449	HMDB02757	PFEM_hmdb_metabocards_official	NA	NA
+MJ004045	L-Cysteate 	C3H7NO5S	169.004493	NA	MeJP	NA	NA
+MJ004046	Cysteic acid 	C3H7NO5S	169.004493	NA	MeJP	NA	NA
+MetaCyc01332	L-cysteate [cysteate;L-Cysteic acid;3-Sulfoalanine;2-Amino-3-sulfopropionic acid;]	C3H7N1O5S1	169.004493	NA	metacyc	NA	NA
+C00506	L-Cysteate	C3H7NO5S	169.0045	NA	KEGG	NA	NA
+C01705	Glyphosate	C3H8NO5P	169.014	NA	KEGG	NA	NA
+C01706	Haloalkene	C2H2XR	169.014	NA	KEGG	NA	NA
+C01707	Hemiacetal	CH2O2R2	169.014	NA	KEGG	NA	NA
+C01708	Hemoglobin	CH2O2R2	169.014	NA	KEGG	NA	NA
+C05672	2-Amino-3-phosphonopropanoate	C3H8NO5P	169.014	NA	KEGG	NA	NA
+C11638	3-Amino-2-oxopropyl phosphate	C3H8NO5P	169.014	NA	KEGG	NA	NA
+C12021	Alanylphosphate	C3H8NO5P	169.014	NA	KEGG	NA	NA
+HMDB00370	2-Amino-3-phosphonopropionic acid	C3H8NO5P	169.014008	NA	HMDB2010	NA	NA
+MJ004047	2-Amino-3-phosphonopropanoic acid 	C3H8NO5P	169.014008	NA	MeJP	NA	NA
+MJ004048	2-Amino-3-phosphonopropanoate 	C3H8NO5P	169.014008	NA	MeJP	NA	NA
+MetaCyc01333	1-amino-propan-2-one-3-phosphate []	C3H8N1O5P1	169.014009	NA	metacyc	NA	NA
+HMDB00370	2-Amino-3-phosphonopropionic acid	C3H8NO5P	169.01401	http://www.hmdb.ca/metabolites/HMDB00370	HMDB	NA	NA
+HMDB00370	2-Amino-3-phosphonopropionic acid	C3H8NO5P	169.01401	HMDB00370	PFEM_hmdb_metabocards_official	NA	NA
+C16285	Thiobenzamide S,S-dioxide	C7H7NO2S	169.0197	NA	KEGG	NA	NA
+C14494	4-Chloroacetanilide	C8H8ClNO	169.0294	NA	KEGG	NA	NA
+C14619	o-Chloroacetanilide	C8H8ClNO	169.0294	NA	KEGG	NA	NA
+CJpos0391	Uric acid [(M+H)]+ (13C)	C413CH5N4O3	169.031175	C18rt(min)=1.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0391	Uric acid [(M+H)]+ (13C)	C413CH5N4O3	169.031175	C18rt(min)=1.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0217	Uric acid [(M-H)]- (13C)	C413CH3N4O3	169.032225	C18rt(min)=1.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0218	Uric acid [(M-H)]- (13C)	C413CH3N4O3	169.032225	C18rt(min)=1.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0217	Uric acid [(M-H)]- (13C)	C413CH3N4O3	169.032225	C18rt(min)=1.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0218	Uric acid [(M-H)]- (13C)	C413CH3N4O3	169.032225	C18rt(min)=1.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03340	L-2,3-Dihydrodipicolinate	C7H7NO4	169.0375	NA	KEGG	NA	NA
+C11465	3,5-Dihydroxyanthranilate	C7H7NO4	169.0375	NA	KEGG	NA	NA
+C12477	3-Methylpyrrole-2,4-dicarboxylic acid	C7H7NO4	169.0375	NA	KEGG	NA	NA
+C17385	2-Methoxy-5-nitrophenol	C7H7NO4	169.0375	NA	KEGG	NA	NA
+C17386	2-Methoxy-4-nitrophenol	C7H7NO4	169.0375	NA	KEGG	NA	NA
+HMDB00439	2-Furoylglycine	C7H7NO4	169.037506	NA	HMDB2010	NA	NA
+HMDB12247	L-2,3-Dihydrodipicolinate	C7H7NO4	169.037506	NA	HMDB2010	NA	NA
+MJ004049	2,3-Dihydrodipicolinate 	C7H7NO4	169.037507	NA	MeJP	NA	NA
+MJ004050	1H-Pyrrole-2,5-dicarboxylic acid; Mono-Me ester 	C7H7NO4	169.037507	NA	MeJP	NA	NA
+MJ004051	2-Amino-4,5-dihydroxybenzoic acid 	C7H7NO4	169.037507	NA	MeJP	NA	NA
+MJ004052	4-Hydroxy-3-nitrobenzyl alcohol 	C7H7NO4	169.037507	NA	MeJP	NA	NA
+MetaCyc01334	1,4-dihydrodipicolinate [1,4-dihydrodipicolinic acid;]	C7H7N1O4	169.037508	NA	metacyc	NA	NA
+MetaCyc01335	L-2,3-dihydrodipicolinate [2,3-dihydrodipicolinate;dihydrodipicolinate;2,3-di-H-dipicolinate;]	C7H7N1O4	169.037508	NA	metacyc	NA	NA
+HMDB00439	2-Furoylglycine	C7H7NO4	169.03751	http://www.hmdb.ca/metabolites/HMDB00439	HMDB	NA	NA
+HMDB00439	2-Furoylglycine	C7H7NO4	169.03751	HMDB00439	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0219	Creatine [(M+Cl)]- (37Cl)	C4H9Cl037ClN3O2	169.043725	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0219	Creatine [(M+Cl)]- (37Cl)	C4H9Cl037ClN3O2	169.043725	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004053	2-(Dimethylamino)ethanol; O-Phosphate 	C4H12NO4P	169.050394	NA	MeJP	NA	NA
+MJ004054	Demanyl phosphate 	C4H12NO4P	169.050394	NA	MeJP	NA	NA
+MetaCyc01336	N-dimethylethanolamine phosphate [P-DME;]	C4H12N1O4P1	169.050394	NA	metacyc	NA	NA
+C13482	Phosphodimethylethanolamine	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13483	Transferred to D01984	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13484	Transferred to D01985	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13485	Transferred to D01986	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13486	Transferred to D01987	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13487	Transferred to D01988	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13488	Transferred to D01989	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13489	Transferred to D01990	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13491	Transferred to D01991	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+C13492	Transferred to D01992	C4H12NO4P	169.0504	NA	KEGG	NA	NA
+MJ004055	Ristianol 	C8H11NOS	169.056134	NA	MeJP	NA	NA
+MJ004056	1-(4-Chlorophenyl)-2-propylamine 	C9H12ClN	169.065827	NA	MeJP	NA	NA
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR253	Norepinephrine F1	NA	169.073275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR253	Norepinephrine F1	NA	169.073275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR253	Norepinephrine F1	NA	169.073275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR253	Norepinephrine F1	NA	169.073275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR253	Norepinephrine 	NA	169.073275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00216	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01537	6-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB01537	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04817	5-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB04817	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00216	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00239	Pyridoxine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00239	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00216	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01537	6-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB01537	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04817	5-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB04817	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00216	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01537	6-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB01537	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04817	5-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB04817	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00216	HMDB	NA	NA
+HMDB00239	Pyridoxine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00239	HMDB	NA	NA
+HMDB01537	6-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB01537	HMDB	NA	NA
+HMDB04817	5-Hydroxydopamine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB04817	HMDB	NA	NA
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00216	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00239	Pyridoxine	C8H11NO3	169.07388	http://www.hmdb.ca/metabolites/HMDB00239	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00216	Norepinephrine	C8H11NO3	169.07388	HMDB00216	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00239	Pyridoxine	C8H11NO3	169.07388	HMDB00239	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01537	6-Hydroxydopamine	C8H11NO3	169.07388	HMDB01537	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04817	5-Hydroxydopamine	C8H11NO3	169.07388	HMDB04817	PFEM_hmdb_metabocards_official	NA	NA
+MJ004057	4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004058	Isopyridoxal 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004059	Pyridoxine 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004060	2-Amino-3-(3-furanyl)propanoic acid, N-Me 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004061	2-Amino-4-hydroxy-2-cyclohexen-1-one, N-Ac 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004062	3,4,5-Trihydroxyphenethylamine 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004063	4-(4-Oxazolyl)-3-(hydroxymethyl)-3-buten-2-ol 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004064	5-(2-Aminoethyl)-1,2,4-benzenetriol 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004065	Melanoxidin 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004066	Norepinephrine 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MJ004067	Pyridoxine 	C8H11NO3	169.073893	NA	MeJP	NA	NA
+MetaCyc01337	pyridoxine [vitamin B6;2-methyl-3-hydroxy-4,5-bis(hydroxy-methyl) pyridine;]	C8H11N1O3	169.073893	65-23-6	metacyc	NA	NA
+MetaCyc01338	noradrenaline [norepinephrine;]	C8H11N1O3	169.073893	NA	metacyc	NA	NA
+MetaCyc01339	6-hydroxydopamine [oxidopamine;hydroxydopamine;]	C8H11N1O3	169.073893	NA	metacyc	NA	NA
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	HMDB	NA	NA
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	Inhouse_PFEM	NA	NA
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR073	Pyridoxine	C8H11NO3	169.073894	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00216	Norepinephrine	C8H11NO3	169.073898	NA	HMDB2010	NA	NA
+HMDB00239	Pyridoxine	C8H11NO3	169.073898	NA	HMDB2010	NA	NA
+HMDB01537	6-Hydroxydopamine	C8H11NO3	169.073898	NA	HMDB2010	NA	NA
+HMDB04817	5-Hydroxydopamine	C8H11NO3	169.073898	NA	HMDB2010	NA	NA
+EUR073	Pyridoxine	C8H11NO3	169.0739	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR194	Norepinephrine	C8H11NO3	169.0739	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR073	Pyridoxine	C8H11NO3	169.0739	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR194	Norepinephrine	C8H11NO3	169.0739	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR073	Pyridoxine	C8H11NO3	169.0739	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR194	Norepinephrine	C8H11NO3	169.0739	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR073	Pyridoxine	C8H11NO3	169.0739	Wishlist	Inhousejuil11	NA	NA
+EUR194	Norepinephrine	C8H11NO3	169.0739	Wishlist	Inhousejuil11	NA	NA
+C00314	Pyridoxine	C8H11NO3	169.0739	NA	KEGG	NA	NA
+C00547	L-Noradrenaline	C8H11NO3	169.0739	NA	KEGG	NA	NA
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR319	Pyridoxine F1	NA	169.074975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR319	Pyridoxine F1	NA	169.074975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR319	Pyridoxine F1	NA	169.074975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR319	Pyridoxine F1	NA	169.074975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR319	Pyridoxine F1	C8H11NO3	169.074975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	PFEM_hmdb_metabocards_urine	NA	urine
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	1.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	1.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	1.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	HMDB	NA	NA
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	Inhouse_PFEM	NA	NA
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	170.0904	Inhouse_sept12	NA	NA
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	1.02	Inhousejuil11	NA	NA
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	PFEM_hmdb_metabocards_blood	NA	blood
+JH073	Methyl-L-histidine (3-) [M+H]+	C7H11N3O2	169.0832	Rtobs1.02	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0392	Methylhistidine isomers [(M+H)]+	C7H12N3O2	169.084575	C18rt(min)=0.78 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0392	Methylhistidine isomers [(M+H)]+	C7H12N3O2	169.084575	C18rt(min)=0.78 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR621	1-Methyl-L-Histidine 	[M+H]+	169.0851	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR621	1-Methyl-L-Histidine 	[M+H]+	169.0851	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR621	1-Methyl-L-Histidine 	[M+H]+	169.0851	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR621	1-Methyl-L-Histidine 	[M+H]+	169.0851	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C01152	N(pi)-Methyl-L-histidine	C7H11N3O2	169.0851	NA	KEGG	NA	NA
+C01153	Orthophosphoric monoester	PH2O4R	169.0851	NA	KEGG	NA	NA
+C03298	Nalpha-Methylhistidine	C7H11N3O2	169.0851	NA	KEGG	NA	NA
+MJ004068	N(pai)-Methyl-L-histidine 	C7H11N3O2	169.085126	NA	MeJP	NA	NA
+MJ004069	1-Methylhistidine 	C7H11N3O2	169.085126	NA	MeJP	NA	NA
+MJ004070	2-Isopropyl-1-methyl-5-nitroimidazole 	C7H11N3O2	169.085126	NA	MeJP	NA	NA
+MJ004071	3-Methylhistidine 	C7H11N3O2	169.085126	NA	MeJP	NA	NA
+MJ004072	Aminozooanemonin 	C7H11N3O2	169.085126	NA	MeJP	NA	NA
+MetaCyc01340	N(&pi;)-methyl-L-histidine [1-methyl-histidine;]	C7H11N3O2	169.085127	NA	metacyc	NA	NA
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.085129	NA	HMDB2010	NA	NA
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.085129	NA	HMDB2010	NA	NA
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00001	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00479	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00001	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00479	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00001	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00479	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00001	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00479	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00001	HMDB	NA	NA
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00479	HMDB	NA	NA
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	NA  ;SYN:(2S)-2-acetamidobutanedioic acid; (S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; Acetyl-l-aspartate; Acetyl-l-aspartic acid; Acetylaspartate; Acetylaspartic acid; L-n-acetylaspartate; L-n-acetylaspartic acid; N-acetyl-l-aspartate; N-acetyl-l-aspartic acid; N-acetyl-s-aspartate; N-acetyl-s-aspartic acid; N-acetylaspartate; N-acetylaspartic acid; NAA; (2S)-2-acetamidobutanedioate; (S)-2-(acetylamino)butanedioateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	Short chain quaternary ammonium salts  ;SYN:Choline phosphate; N-Trimethyl-2-aminoethylphosphonate; O-Phosphocholine; Phosphocholine; Phosphoryl-cholineH2Blood; Breast Milk; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00001	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	http://www.hmdb.ca/metabolites/HMDB00479	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00001	1-Methylhistidine	C7H11N3O2	169.08513	HMDB00001	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00479	3-Methylhistidine	C7H11N3O2	169.08513	HMDB00479	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0220	Methylhistidine [(M-H)]-	C7H10N3O2	169.085725	C18rt(min)=0.78 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0220	Methylhistidine [(M-H)]-	C7H10N3O2	169.085725	C18rt(min)=0.78 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	HMDB	NA	NA
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	Inhouse_PFEM	NA	NA
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis031	1-Methyl-L-Histidine	HMDB00001_RT1_add124	169.0858	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+C10998	4-Aminobiphenyl	C12H11N	169.0891	NA	KEGG	NA	NA
+C11016	Diphenylamine	C12H11N	169.0891	NA	KEGG	NA	NA
+MJ004073	2-(1-Propenyl)quinoline 	C12H11N	169.089149	NA	MeJP	NA	NA
+CJpos0393	Pyridoxamine isomer [(M+H)]+ (13C)	C713CH13N2O2	169.092675	C18rt(min)=4.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0394	Pyridoxamine isomer [(M+H)]+ (13C)	C713CH13N2O2	169.092675	C18rt(min)=4.45 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0393	Pyridoxamine isomer [(M+H)]+ (13C)	C713CH13N2O2	169.092675	C18rt(min)=4.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0394	Pyridoxamine isomer [(M+H)]+ (13C)	C713CH13N2O2	169.092675	C18rt(min)=4.45 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004074	1,2-Epoxy-1-hydroxymethylpyrrolizidine; Me ether 	C9H15NO2	169.110278	NA	MeJP	NA	NA
+MJ004075	1-Pyrrolizidinecarboxylic acid, Me ester 	C9H15NO2	169.110278	NA	MeJP	NA	NA
+MJ004076	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Me 	C9H15NO2	169.110278	NA	MeJP	NA	NA
+MJ004077	3,3-Diethyl-2,4-piperidinedione 	C9H15NO2	169.110278	NA	MeJP	NA	NA
+C17730	Piperidione	C9H15NO2	169.1103	NA	KEGG	NA	NA
+MJ004078	2-(2-Hydroxybutyl)piperidine, 8-Ketone, N-Me 	C10H19NO	169.146664	NA	MeJP	NA	NA
+MJ004079	Epilupinine 	C10H19NO	169.146664	NA	MeJP	NA	NA
+MJ004080	Halosaline, 8-Ketone 	C10H19NO	169.146664	NA	MeJP	NA	NA
+MJ004081	Lupinine 	C10H19NO	169.146664	NA	MeJP	NA	NA
+MJ004082	Nitramine 	C10H19NO	169.146664	NA	MeJP	NA	NA
+MJ004083	Virgilidine 	C10H19NO	169.146664	NA	MeJP	NA	NA
+MJ004084	N,N,N,3-Tetramethyl-2-oxocyclopentanemethanaminium(1+) 	C10H20NO(+)	169.146664	NA	MeJP	NA	NA
+C10163	Nitramine	C10H19NO	169.1467	NA	KEGG	NA	NA
+C10773	Lupinine	C10H19NO	169.1467	NA	KEGG	NA	NA
+MJ004085	Neramexane 	C11H23N	169.183049	NA	MeJP	NA	NA
+7636	ACE inhibitor from k-CN (fr, 78-80)	SHP	169.571	MH2+	Inhouse_peptide	NA	peptide
+8034	synthetic peptide	PHS	169.571	MH2+	Inhouse_peptide	NA	peptide
+7988	synthetic peptide	LHA	169.5895	MH2+	Inhouse_peptide	NA	peptide
+MJ004086	Calcium phosphinate 	CaH4O4P2	169.921072	NA	MeJP	NA	NA
+MJ004087	Iron(II) fumarate 	C4H2FeO4	169.93025	NA	MeJP	NA	NA
+MJ004088	1,2-Dichloro-1,1,2,2-tetrafluoroethane 	C2Cl2F4	169.931318	NA	MeJP	NA	NA
+MJ004089	1,2,3,5-Tetrathiepane 	C3H6S4	169.935232	NA	MeJP	NA	NA
+MJ004090	1,2,4,6-Tetrathiepane 	C3H6S4	169.935232	NA	MeJP	NA	NA
+MJ004091	1-Iodopropane 	C3H7I	169.959243	NA	MeJP	NA	NA
+MJ004092	2-Iodopropane 	C3H7I	169.959243	NA	MeJP	NA	NA
+MetaCyc01341	1-iodopropane []	C3H7I1	169.959243	NA	metacyc	NA	NA
+MJ004093	2-Hydroxydithiobenzoic acid 	C7H6OS2	169.986006	NA	MeJP	NA	NA
+CJneg0221	Uracil [(M-H)+(NaCl)]-	C4H3ClN2NaO2	169.986425	C18rt(min)=1.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0221	Uracil [(M-H)+(NaCl)]-	C4H3ClN2NaO2	169.986425	C18rt(min)=1.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02543	Glycerone sulfate	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C02544	Glycogen synthase	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C02545	Glycosaminoglycan	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C02546	Glycyl amino acid	C4H7N2O3R	169.9885	NA	KEGG	NA	NA
+C02914	(S)-2-O-Sulfolactate	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C11499	(S)-3-Sulfolactate	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C11537	(2R)-3-Sulfolactate	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C16069	3-Sulfolactate	C3H6O6S	169.9885	NA	KEGG	NA	NA
+C17205	(R)-2-O-Sulfolactate	C3H6O6S	169.9885	NA	KEGG	NA	NA
+MetaCyc01342	L-sulfolactate [(R)-3-sulfolactate;(R)-sulfolactate;]	C3H6O6S1	169.988509	NA	metacyc	NA	NA
+MetaCyc01343	(S)-2-O-sulfolactate []	C3H6O6S1	169.988509	NA	metacyc	NA	NA
+MJ004094	2,2-Dichloro-1,3-cyclopentanediol 	C5H8Cl2O2	169.990134	NA	MeJP	NA	NA
+MJ004095	1,1,1,2,3,3,3-Heptafluoropropane 	C3HF7	169.996647	NA	MeJP	NA	NA
+C00111	Glycerone phosphate	C3H7O6P	169.998	NA	KEGG	NA	NA
+C00118	D-Glyceraldehyde 3-phosphate	C3H7O6P	169.998	NA	KEGG	NA	NA
+C00661	DL-Glyceraldehyde 3-phosphate	C3H7O6P	169.998	NA	KEGG	NA	NA
+C00662	Reduced adrenal ferredoxin	C3H7O6P	169.998	NA	KEGG	NA	NA
+HMDB01112	D-Glyceraldehyde 3-phosphate	C3H7O6P	169.99802	http://www.hmdb.ca/metabolites/HMDB01112	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01473	Dihydroxyacetone phosphate	C3H7O6P	169.99802	http://www.hmdb.ca/metabolites/HMDB01473	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01112	D-Glyceraldehyde 3-phosphate	C3H7O6P	169.99802	http://www.hmdb.ca/metabolites/HMDB01112	HMDB	NA	NA
+HMDB01473	Dihydroxyacetone phosphate	C3H7O6P	169.99802	http://www.hmdb.ca/metabolites/HMDB01473	HMDB	NA	NA
+HMDB01112	D-Glyceraldehyde 3-phosphate	C3H7O6P	169.99802	http://www.hmdb.ca/metabolites/HMDB01112	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01473	Dihydroxyacetone phosphate	C3H7O6P	169.99802	http://www.hmdb.ca/metabolites/HMDB01473	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01112	D-Glyceraldehyde 3-phosphate	C3H7O6P	169.99802	HMDB01112	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01473	Dihydroxyacetone phosphate	C3H7O6P	169.99802	HMDB01473	PFEM_hmdb_metabocards_official	NA	NA
+MJ004096	Glyceraldehyde-3-phosphate 	C3H7O6P	169.998024	NA	MeJP	NA	NA
+MJ004097	(2R)-2-Hydroxy-3-(phosphonooxy)-propanal 	C3H7O6P	169.998024	NA	MeJP	NA	NA
+MJ004098	Glycerone phosphate 	C3H7O6P	169.998024	NA	MeJP	NA	NA
+MetaCyc01344	(S)-phospholactate []	C3H7O6P1	169.998024	NA	metacyc	NA	NA
+MetaCyc01345	(R)-phospholactate []	C3H7O6P1	169.998024	NA	metacyc	NA	NA
+MetaCyc01346	phosphopyruvate []	C3H7O6P1	169.998024	NA	metacyc	NA	NA
+MetaCyc01347	L-glyceraldehyde-3-phosphate [L-glyceraldehyde 3-phosphate;]	C3H7O6P1	169.998024	NA	metacyc	NA	NA
+MetaCyc01348	D-glyceraldehyde-3-phosphate [D-glyceraldehdye-3-phosphate;3-phosphoglyceraldehyde;D-glyceraldehyde-3-P;glyceraldehyde-3-phosphate;gap;glyceraldehyde-phosphate;glyceraldehyde-P;glyceraldehyde-3-P;(2R)-2-hydroxy-3-(phosphonooxy)-propanal;]	C3H7O6P1	169.998024	142-10-9	metacyc	NA	NA
+MetaCyc01349	dihydroxy-acetone-phosphate [DHAP;glycerone-phosphate;dihydroxyacetone 3-phosphate;dihydroxyacetone-P;di-OH-acetone-P;dihydroxyacetone-phosphate;]	C3H7O6P1	169.998024	57-04-5	metacyc	NA	NA
+MetaCyc01350	D-phospholactate [phospholactate;]	C3H7O6P1	169.998024	18365-82-7	metacyc	NA	NA
+MetaCyc01351	L-lactyl-phosphate [2-phospho-L-lactate;phospholactate;]	C3H7O6P1	169.998024	NA	metacyc	NA	NA
+HMDB01112	D-Glyceraldehyde 3-phosphate	C3H7O6P	169.998032	NA	HMDB2010	NA	NA
+HMDB01473	Dihydroxyacetone phosphate	C3H7O6P	169.998032	NA	HMDB2010	NA	NA
+JH030	Glutaric acid  [M+K]+	NA	170.0031	4.25	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH030	Glutaric acid  [M+K]+	NA	170.0031	4.25	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH030	Glutaric acid  [M+K]+	NA	170.0031	4.25	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH030	Glutaric acid  [M+K]+	NA	170.0031	4.25	Inhousejuil11	NA	NA
+MJ004099	3-(2-Furanyl)-2-mercapto-2-propenoic acid 	C7H6O3S	170.003764	NA	MeJP	NA	NA
+MJ004100	3-Chloro-4-hydroxybenzaldehyde; Me ether 	C8H7ClO2	170.013457	NA	MeJP	NA	NA
+MJ004101	4-Chloro-3-hydroxybenzaldehyde; Me ether 	C8H7ClO2	170.013457	NA	MeJP	NA	NA
+MJ004102	4-Chlorophenylacetate 	C8H7ClO2	170.013457	NA	MeJP	NA	NA
+MetaCyc01352	4-chlorophenylacetate [4-chlorophenyl acetic acid;4-chlorophenylacetic acid;4-chlorophenyl acetate;]	C8H7O2CL1	170.013457	1878-66-6	metacyc	NA	NA
+C03077	4-Chlorophenylacetate	C8H7ClO2	170.0135	NA	KEGG	NA	NA
+MJ004103	Thiourocanic acid 	C6H6N2O2S	170.014998	NA	MeJP	NA	NA
+C05571	Thiourocanic acid	C6H6N2O2S	170.015	NA	KEGG	NA	NA
+HMDB01460	Diethylthiophosphate	C4H11O3PS	170.016647	NA	HMDB2010	NA	NA
+HMDB01460	Diethylthiophosphate	C4H11O3PS	170.01665	http://www.hmdb.ca/metabolites/HMDB01460	HMDB	NA	NA
+HMDB01460	Diethylthiophosphate	C4H11O3PS	170.01665	HMDB01460	PFEM_hmdb_metabocards_official	NA	NA
+MJ004104	Diethylthiophosphoric acid 	C4H11O3PS	170.016651	NA	MeJP	NA	NA
+MetaCyc01353	diethylthiophosphate [DETP;Diethylthiophosphoric acid;]	C4H11O3P1S1	170.016651	5871-17-0	metacyc	NA	NA
+C06607	Diethylthiophosphoric acid	C4H11O3PS	170.0167	NA	KEGG	NA	NA
+C01424	Gallate	C7H6O5	170.0215	NA	KEGG	NA	NA
+HMDB05807	Gallic acid	C7H6O5	170.02151	http://www.hmdb.ca/metabolites/HMDB05807	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05807	Gallic acid	C7H6O5	170.02151	http://www.hmdb.ca/metabolites/HMDB05807	HMDB	NA	NA
+HMDB05807	Gallic acid	C7H6O5	170.02151	http://www.hmdb.ca/metabolites/HMDB05807	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05807	Gallic acid	C7H6O5	170.02151	HMDB05807	PFEM_hmdb_metabocards_official	NA	NA
+MJ004105	Gallate 	C7H6O5	170.021523	NA	MeJP	NA	NA
+MJ004106	2,4,6-Trihydroxybenzoic acid 	C7H6O5	170.021523	NA	MeJP	NA	NA
+MJ004107	3,4,5-Trihydroxybenzoic acid 	C7H6O5	170.021523	NA	MeJP	NA	NA
+MetaCyc01354	gallate [Gallic acid;3,4,5-Trihydroxybenzoic acid;3,4,5-Trihydroxybenzoate;Pyrogallol-5-carboxylic acid;]	C7H6O5	170.021523	149-91-7	metacyc	NA	NA
+HMDB05807	Gallic acid	C7H6O5	170.02153	NA	HMDB2010	NA	NA
+MetaCyc01355	1,3-dinitrobenzene []	C6H6N2O4	170.032757	NA	metacyc	NA	NA
+CJneg0222	Deoxyribose [(M+Cl)]-	C5H10ClO4	170.035125	C18rt(min)=0.97 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0223	Deoxyribose isomer [(M+Cl)]-	C5H10ClO4	170.035125	C18rt(min)=2.44 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0222	Deoxyribose [(M+Cl)]-	C5H10ClO4	170.035125	C18rt(min)=0.97 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0223	Deoxyribose isomer [(M+Cl)]-	C5H10ClO4	170.035125	C18rt(min)=2.44 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004108	5-Ureido-4-imidazole carboxylate 	C5H6N4O3	170.04399	NA	MeJP	NA	NA
+MetaCyc01356	4-ureido-5-imidazole carboxylate [4-ureido-5-imidazole carboxylate;]	C5H6N4O3	170.04399	NA	metacyc	NA	NA
+C05515	5-Ureido-4-imidazole carboxylate	C5H6N4O3	170.044	NA	KEGG	NA	NA
+MJ004109	Olpimedone 	C7H10N2OS	170.051383	NA	MeJP	NA	NA
+MJ004110	Propylthiouracil 	C7H10N2OS	170.051383	NA	MeJP	NA	NA
+C07569	Propylthiouracil	C7H10N2OS	170.0514	NA	KEGG	NA	NA
+CJpos0395	Dihydroxyphenylethyleneglycol isomer [(M+H)]+	C8H11O4	170.057375	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0395	Dihydroxyphenylethyleneglycol isomer [(M+H)]+	C8H11O4	170.057375	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C05576	3,4-Dihydroxyphenylethyleneglycol	C8H10O4	170.0579	NA	KEGG	NA	NA
+C06720	1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate	C8H10O4	170.0579	NA	KEGG	NA	NA
+C06729	cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate	C8H10O4	170.0579	NA	KEGG	NA	NA
+C06731	1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate	C8H10O4	170.0579	NA	KEGG	NA	NA
+C07123	2-Hydroxy-6-oxo-octa-2,4-dienoate	C8H10O4	170.0579	NA	KEGG	NA	NA
+C16804	Penicillic acid	C8H10O4	170.0579	NA	KEGG	NA	NA
+HMDB00318	3,4-Dihydroxyphenylglycol	C8H10O4	170.057907	NA	HMDB2010	NA	NA
+MJ004111	1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004112	1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004113	2-Hydroxy-6-oxo-octa-2,4-dienoate 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004114	3,4-Dihydroxyphenylethyleneglycol 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004115	cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004116	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004117	1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid; Me ester 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004118	2-Acetyl-3,4-dimethoxyfuran 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004119	2-Acetyl-3,5-dihydroxy-2-cyclohexen-1-one 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004120	3,4-Dihydroxy-3-cyclobutene-1,2-dione; Di-Et ester 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004121	3,4-Epoxy-5-hydroxy-1-cyclohexenecarboxylic acid, Me ester 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004122	3,6-Bis(hydroxymethyl)-2-methyl-4H-pyran-4-one 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004123	5-(1-Hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004124	5-(Hydroxymethyl)-1,2,3-benzenetriol; 1'-Me ether 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004125	5-Methyl-1,2,3,4-benzenetetrol; 2-Me ether 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004126	Coriloxin 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004127	Penicillic acid 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MJ004128	Tetrahydro-4-hydroxy-5-methylene-2H-pyran-2-one; Ac 	C8H10O4	170.057908	NA	MeJP	NA	NA
+MetaCyc01357	cis-1,2-dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate [4-methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid;]	C8H10O4	170.057909	NA	metacyc	NA	NA
+MetaCyc01358	1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate [1,2-dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate;1,6-dihydroxy-5-methyl-cyclohexa-2,4-diene-1-carboxylic acid;1,6-dihydroxy-5-methylcyclohexa-2,4-diene-1-carboxylate;]	C8H10O4	170.057909	NA	metacyc	NA	NA
+MetaCyc01359	1,2-dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate []	C8H10O4	170.057909	NA	metacyc	NA	NA
+HMDB00318	3,4-Dihydroxyphenylglycol	C8H10O4	170.05791	http://www.hmdb.ca/metabolites/HMDB00318	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00318	3,4-Dihydroxyphenylglycol	C8H10O4	170.05791	http://www.hmdb.ca/metabolites/HMDB00318	HMDB	NA	NA
+HMDB00318	3,4-Dihydroxyphenylglycol	C8H10O4	170.05791	http://www.hmdb.ca/metabolites/HMDB00318	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00318	3,4-Dihydroxyphenylglycol	C8H10O4	170.05791	HMDB00318	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0224	2-hydroxybenzyl alcohol [(M-H)+(HCOOH)]-	C8H9O4	170.058425	C18rt(min)=5.58 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0224	2-hydroxybenzyl alcohol [(M-H)+(HCOOH)]-	C8H9O4	170.058425	C18rt(min)=5.58 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C17931	Imetit	C6H10N4S	170.0626	NA	KEGG	NA	NA
+MJ004129	Imetit 	C6H10N4S	170.062617	NA	MeJP	NA	NA
+MJ004130	1-(2-Hydroxyphenyl)-2,4-hexadiyne 	C12H10O	170.073164	NA	MeJP	NA	NA
+MJ004131	1-(3-Hydroxyphenyl)-2,4-hexadiyne 	C12H10O	170.073164	NA	MeJP	NA	NA
+MJ004132	1-Phenyl-1-hexen-4-yn-3-one 	C12H10O	170.073164	NA	MeJP	NA	NA
+MJ004133	1-Phenyl-2,4-hexadiyn-1-ol 	C12H10O	170.073164	NA	MeJP	NA	NA
+MJ004134	2-Biphenylol 	C12H10O	170.073164	NA	MeJP	NA	NA
+MJ004135	4-Methyl-1-azulenecarboxaldehyde 	C12H10O	170.073164	NA	MeJP	NA	NA
+MJ004136	Diphenyl ether 	C12H10O	170.073164	NA	MeJP	NA	NA
+MetaCyc01360	2-hydroxybiphenyl [HBP;o-hydroxybiphenyl;o-hydroxydiphenyl;2-hydroxydiphenyl;2-phenylphenol;orthoxenol;2-biphenylol;o-xonal;1,1'-biphenyl-2-ol;(1,1-biphenyl)-2-ol;orthohydroxydiphenyl;biphenyl-2-ol;biphenylol;o-phenylphenol;]	C12H10O1	170.073165	90-43-7	metacyc	NA	NA
+C02499	2-Hydroxybiphenyl	C12H10O	170.0732	NA	KEGG	NA	NA
+C14224	4-Hydroxybiphenyl	C12H10O	170.0732	NA	KEGG	NA	NA
+C14342	3-Hydroxybiphenyl	C12H10O	170.0732	NA	KEGG	NA	NA
+MJ004137	Linsidomine 	C6H10N4O2	170.080375	NA	MeJP	NA	NA
+MJ004138	Viomycidine 	C6H10N4O2	170.080375	NA	MeJP	NA	NA
+MetaCyc01361	N-isopropylammelide [2,4-dihydroxy-6-(isopropylamino)-s-triazine;OOIT;]	C6H10N4O2	170.080376	NA	metacyc	NA	NA
+C06553	N-Isopropylammelide	C6H10N4O2	170.0804	NA	KEGG	NA	NA
+MJ004139	4-Methyl-2,3'-bipyridine 	C11H10N2	170.084398	NA	MeJP	NA	NA
+MJ004140	4-Methyl-3,3'-bipyridine 	C11H10N2	170.084398	NA	MeJP	NA	NA
+MJ004141	5-Methyl-2,3'-bipyridine 	C11H10N2	170.084398	NA	MeJP	NA	NA
+MJ004142	2-Chloro-7-methyl-3-methylene-1,6-octadiene 	C10H15Cl	170.086228	NA	MeJP	NA	NA
+CJpos0396	Methylhistidine isomers [(M+H)]+ (13C)	C613CH12N3O2	170.087975	C18rt(min)=0.78 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0396	Methylhistidine isomers [(M+H)]+ (13C)	C613CH12N3O2	170.087975	C18rt(min)=0.78 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004143	1-(3-Furanyl)-1,4-pentanediol 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004144	2-Acetyl-1-isopropylcyclopropanecarboxylic acid 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004145	4-Hydroxy-3-methyl-2-oxabicyclo[3.3.1]nonan-6-one 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004146	4-Oxo-2-nonenoic acid 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004147	5-Hydroxy-3-(1-hydroxy-2-methylpropyl)-4-methyl-2(5H)-furanone; 5-Deoxy 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004148	8-Hydroxy-6-methyl-2,4-octadienoic acid 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004149	Argyol 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004150	Buergerinin G; 3-Deoxo 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004151	Dihydro-3-(2-methyl-3-oxobutyl)-2(5H)-furanone 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004152	Isoboonein 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004153	Lachnellin D 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004154	Mentzetriol 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004155	Mitsugashiwalactone; 7?-Hydroxy 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004156	Naucleol 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004157	Ningpogenin 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004158	Serpenone; 1',2'-Dihydro 	C9H14O3	170.094294	NA	MeJP	NA	NA
+MJ004159	Tetrahydro-4-hydroxy-5-methyl-6-(1-propenyl)-2H-pyran-2-one 	C9H14O3	170.094294	NA	MeJP	NA	NA
+C14280	Furfural diethyl acetal	C9H14O3	170.0943	NA	KEGG	NA	NA
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR473	Thromboxane B2 F6	NA	170.094925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR473	Thromboxane B2 F6	NA	170.094925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR473	Thromboxane B2 F6	NA	170.094925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR473	Thromboxane B2 F6	NA	170.094925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR473	Thromboxane B2 F6	F6	170.094925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C11310	1-Methyl-4-phenylpyridinium	C12H12N	170.097	NA	KEGG	NA	NA
+7645	ACE inhibitor from porcine myosin (981-983	PPK	170.099	MH2+	Inhouse_peptide	NA	peptide
+8168	peptide derived from ?-casein (109-111)	PPK	170.099	MH2+	Inhouse_peptide	NA	peptide
+11	Myosin	PPK	170.1	MH2+	Inhouse_peptide	NA	peptide
+C07841	Levetiracetam	C8H14N2O2	170.1055	NA	KEGG	NA	NA
+C07842	Transferred to D00710	C8H14N2O2	170.1055	NA	KEGG	NA	NA
+C07843	Transferred to D00711	C8H14N2O2	170.1055	NA	KEGG	NA	NA
+MJ004160	3-(2-Methylpropyl)-2,5-piperazinedione 	C8H14N2O2	170.105527	NA	MeJP	NA	NA
+MJ004161	Cyclo(alanylvalyl) 	C8H14N2O2	170.105527	NA	MeJP	NA	NA
+MJ004162	Etiracetam 	C8H14N2O2	170.105527	NA	MeJP	NA	NA
+MJ004163	1,3,5-Tridecatriene-7,9-diyne 	C13H14	170.10955	NA	MeJP	NA	NA
+MJ004164	2,8,10-Tridecatriene-4,6-diyne 	C13H14	170.10955	NA	MeJP	NA	NA
+C08395	Aethusin	C13H14	170.1096	NA	KEGG	NA	NA
+HMDB04980	trans-4-Decenoic acid	C10H18O2	170.130676	NA	HMDB2010	NA	NA
+HMDB04981	cis-4-Decenoic acid	C10H18O2	170.130676	NA	HMDB2010	NA	NA
+HMDB10726	trans-Dec-2-enoic acid	C10H18O2	170.130676	NA	HMDB2010	NA	NA
+HMDB12183	8-Methylnonenoate	C10H18O2	170.130676	NA	HMDB2010	NA	NA
+MJ004165	6-endo-Hydroxycineole 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004166	1,4-Epoxy-p-menthan-2-ol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004167	1-(3-Hydroxymethyl-2,2-dimethylcyclopropyl)-2-methyl-2-propen-1-one; 2,3-Dihydro 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004168	1-Octen-3-ol, Ac 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004169	2,10-Bornanediol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004170	2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene, 3,4-Dihydro 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004171	2,5,5-Trimethyl-2,6-heptadiene-1,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004172	2,5-Bornanediol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004173	2,5-Dimethyl-3-vinyl-5-hexene-2,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004174	2,5-Dimethyl-4-vinyl-5-hexene-2,3-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004175	2,6-Bornanediol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004176	2,6-Dimethyl-1,7-octadiene-3,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004177	2,6-Dimethyl-2,6-octadiene-1,8-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004178	2,6-Dimethyl-2,7-octadiene-1,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004179	2,6-Dimethyl-3,7-octadiene-2,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004180	2,6-Dimethyl-5,7-octadiene-2,3-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004181	2,7-Dimethyl-1,6-dioxaspiro[4.5]decane 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004182	2,8-Bornanediol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004183	2,9-Bornanediol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004184	2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004185	2-Decenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004186	2-Ethyl-1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004187	2-Hexen-1-ol, Butanoyl 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004188	2-Methyl-6-methylene-7-octene-2,3-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004189	2-Octen-1-ol, Ac 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004190	3,7-Dimethyl-1,6-octadien-3-ol, 10-Hydroxy 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004191	3,7-Dimethyl-1,6-octadiene-3,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004192	3,7-Dimethyl-2,6-octadiene-1,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004193	3,7-Dimethyl-2,7-octadiene-1,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004194	3,7-Dimethyl-6-octenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004195	3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004196	3-Decenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004197	3-Hexen-1-ol, 2-Methylpropanoyl 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004198	3-Hexen-1-ol, Butanoyl 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004199	3-Nonenoic acid, Me ester 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004200	4-Decenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004201	4-Decyne-3,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004202	4-Hydroxy-2,6-dimethyl-7-octen-3-one 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004203	4-Octenoic acid, Et ester 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004204	5-Ethyl-5-hydroxy-6-methyl-3-hepten-2-one 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004205	5-Ethyl-6-methyl-3-hepten-2-one, 3,4-Epoxide 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004206	5-Hexyldihydro-2(3H)-furanone 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004207	5-Octen-1-ol, Ac 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004208	6-Hydroxy-2,6-dimethyl-7-octen-4-one 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004209	6-Methyl-2-vinyl-5-heptene-1,2-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004210	7-Decenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004211	7-Methyl-3-methylene-6-octene-1,2-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004212	8-Decenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004213	9,10-Cyclo-p-menthane-2,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004214	9,10-Pinanediol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004215	9-Decenoic acid 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004216	9-Hydroxydecanoic acid, Lactone 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004217	?-Acaridial; Dialcohol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004218	Dehydroiridodiol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004219	Dihydro-4-methyl-5-pentyl-2(3H)-furanone 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004220	Lilac alcohol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004221	Linalyl oxide 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004222	Multistriatin 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004223	Neomatatabiol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004224	Tetrahydro-3,5-dimethyl-6-propyl-2H-pyran-2-one 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004225	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004226	Tetrahydro-6-isopropyl-3,5-dimethyl-2H-pyran-2-one 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004227	Tetrahydro-6-pentyl-2H-pyran-2-one 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004228	p-Menth-1(7)-ene-2,3-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004229	p-Menth-1-ene-3,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004230	p-Menth-1-ene-5,6-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004231	p-Menth-1-ene-6,8-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004232	p-Menth-1-ene-8,9-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004233	p-Menth-2-ene-1,4-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004234	p-Menth-2-ene-1,7-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004235	p-Menth-3-ene-1,2-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004236	p-Menth-4-ene-1,2-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004237	p-Menth-5-ene-1,2-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+MJ004238	p-Menth-8-ene-1,2-diol 	C10H18O2	170.130679	NA	MeJP	NA	NA
+HMDB04981	cis-4-Decenoic acid	C10H18O2	170.13068	http://www.hmdb.ca/metabolites/HMDB04981	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04980	trans-4-Decenoic acid	C10H18O2	170.13068	http://www.hmdb.ca/metabolites/HMDB04980	HMDB	NA	NA
+HMDB04981	cis-4-Decenoic acid	C10H18O2	170.13068	http://www.hmdb.ca/metabolites/HMDB04981	HMDB	NA	NA
+MetaCyc01362	(E)-3,7-dimethylocta-1,6-dien-3,8-diol []	C10H18O2	170.13068	NA	metacyc	NA	NA
+MetaCyc01363	6-endo-hydroxycineole []	C10H18O2	170.13068	NA	metacyc	NA	NA
+HMDB04981	cis-4-Decenoic acid	C10H18O2	170.13068	http://www.hmdb.ca/metabolites/HMDB04981	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04980	trans-4-Decenoic acid	C10H18O2	170.13068	HMDB04980	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04981	cis-4-Decenoic acid	C10H18O2	170.13068	HMDB04981	PFEM_hmdb_metabocards_official	NA	NA
+C03092	6-endo-Hydroxycineole	C10H18O2	170.1307	NA	KEGG	NA	NA
+C04433	(E)-3,7-Dimethylocta-1,6-diene-3,8-diol	C10H18O2	170.1307	NA	KEGG	NA	NA
+C07276	Limonene-1,2-diol	C10H18O2	170.1307	NA	KEGG	NA	NA
+C09790	(+)-Neomatatabiol	C10H18O2	170.1307	NA	KEGG	NA	NA
+C16462	Citronellate	C10H18O2	170.1307	NA	KEGG	NA	NA
+C17621	10-Hydroxygeraniol	C10H18O2	170.1307	NA	KEGG	NA	NA
+C18020	p-Menth-8-ene-1,2-diol	C10H18O2	170.1307	NA	KEGG	NA	NA
+C18027	(4R,7S)-7-Isopropyl-4-methyloxepan-2-one	C10H18O2	170.1307	NA	KEGG	NA	NA
+C18066	7-Isopropyl-4-methyloxepan-2-one	C10H18O2	170.1307	NA	KEGG	NA	NA
+C18202	8-Methyl-6-nonenoic acid	C10H18O2	170.1307	NA	KEGG	NA	NA
+MJ004239	10-Undecen-2-ol 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004240	2-Undecanone 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004241	3,3,7-Trimethyl-6-octen-1-ol 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004242	3-Methyl-3-decen-1-ol 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004243	3-Methyl-4-decen-1-ol 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004244	3-Undecanone 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004245	6-Undecen-2-ol 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004246	9-Undecen-1-ol 	C11H22O	170.167065	NA	MeJP	NA	NA
+MJ004247	Undecanal 	C11H22O	170.167065	NA	MeJP	NA	NA
+MetaCyc01364	2-undecanone []	C11H22O1	170.167065	112-12-9	metacyc	NA	NA
+C01875	2-Undecanone	C11H22O	170.1671	NA	KEGG	NA	NA
+MJ004248	Dodecane 	C12H26	170.20345	NA	MeJP	NA	NA
+C08374	Dodecane	C12H26	170.2035	NA	KEGG	NA	NA
+2642	synthetic fr, of human beta-CN, ACE inhibitor	ILP	170.61	MH2+	Inhouse_peptide	NA	peptide
+3167	diprotin A	IPI	170.61	MH2+	Inhouse_peptide	NA	peptide
+3713	ACE inhibitor from alpha-zein	LLP	170.61	MH2+	Inhouse_peptide	NA	peptide
+C11040	2,6-Dichlorobenzonitrile	C7H3Cl2N	170.9643	NA	KEGG	NA	NA
+C13058	Calcium L-aspartate	C4H5NO4	170.9844	NA	KEGG	NA	NA
+C13059	Transferred to D01599	C4H5NO4	170.9844	NA	KEGG	NA	NA
+C13060	Transferred to D01600	C4H5NO4	170.9844	NA	KEGG	NA	NA
+MJ004249	2-Amino-4,4-dichlorobutanoic acid 	C4H7Cl2NO2	170.985383	NA	MeJP	NA	NA
+HMDB02238	L-Homocysteine sulfonic acid	C3H9NO3S2	171.00238	NA	HMDB2010	NA	NA
+HMDB02238	L-Homocysteine sulfonic acid	C3H9NO3S2	171.0024	http://www.hmdb.ca/metabolites/HMDB02238	HMDB	NA	NA
+HMDB02238	L-Homocysteine sulfonic acid	C3H9NO3S2	171.0024	HMDB02238	PFEM_hmdb_metabocards_official	NA	NA
+MJ004250	2-Amino-3-chlorobenzoic acid 	C7H6ClNO2	171.008706	NA	MeJP	NA	NA
+MJ004251	Diethyldithiocarbamic acid; Na salt 	C5H10NNaS2	171.015235	NA	MeJP	NA	NA
+MJ004252	2,2'-Dichloro-N-methyldiethylamine; N-Oxide 	C5H11Cl2NO	171.021769	NA	MeJP	NA	NA
+MJ004253	4(5)-Nitro-2-imidazolecarboxylic acid; 3H-form, N-Me 	C5H5N3O4	171.028005	NA	MeJP	NA	NA
+CJpos0397	Kynurenic acid [(M+H)-(H2O)]+	C10H6NO2	171.031475	C18rt(min)=5.39 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0397	Kynurenic acid [(M+H)-(H2O)]+	C10H6NO2	171.031475	C18rt(min)=5.39 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH113	Kynurenic acid [M+H-H20]+	NA	171.0315	12.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH113	Kynurenic acid [M+H-H20]+	NA	171.0315	12.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH113	Kynurenic acid [M+H-H20]+	NA	171.0315	12.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH113	Kynurenic acid [M+H-H20]+	NA	171.0315	12.5	Inhousejuil11	NA	NA
+MJ004254	2-Propyl-5-thiazolecarboxylic acid 	C7H9NO2S	171.035399	NA	MeJP	NA	NA
+C14412	4-Toluenesulfonamide	C7H9NO2S	171.0354	NA	KEGG	NA	NA
+JH109	N-acetyl-L-glutamine [M+H-NH3]+	NA	171.0515	1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH109	N-acetyl-L-glutamine [M+H-NH3]+	NA	171.0515	1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH109	N-acetyl-L-glutamine [M+H-NH3]+	NA	171.0515	1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH109	N-acetyl-L-glutamine [M+H-NH3]+	NA	171.0515	1.64	Inhousejuil11	NA	NA
+MJ004255	2-Hydroxymethylclavam; Formyl 	C7H9NO4	171.053157	NA	MeJP	NA	NA
+MJ004256	4,5-Dihydroxy-1H-pyrrole-3-carboxylic acid; 4-Me ether, Me ester 	C7H9NO4	171.053157	NA	MeJP	NA	NA
+MJ004257	4-(Hydroxymethyl)-6-methyl-2,3,5-pyridinetriol 	C7H9NO4	171.053157	NA	MeJP	NA	NA
+MJ004258	Hermidin 	C7H9NO4	171.053157	NA	MeJP	NA	NA
+MJ004259	2,3,4,5-Tetrahydrodipicolinate 	C7H9NO4	171.053157	NA	MeJP	NA	NA
+MetaCyc01365	tetrahydrodipicolinate [2,3,4,5-Tetrahydrodipicolinate;L-2,3,4,5-tetrahydrodipicolinate;&Delta;1-piperideine-2,6-dicarboxylate;]	C7H9N1O4	171.053158	52-52-8	metacyc	NA	NA
+HMDB12289	Tetrahydrodipicolinate	C7H9NO4	171.053162	NA	HMDB2010	NA	NA
+C03972	2,3,4,5-Tetrahydrodipicolinate	C7H9NO4	171.0532	NA	KEGG	NA	NA
+C03974	2-Acyl-sn-glycerol 3-phosphate	C4H8O7PR	171.0532	NA	KEGG	NA	NA
+C12108	AminoDHS	C7H9NO4	171.0532	NA	KEGG	NA	NA
+C17356	2-Formyloxymethylclavam	C7H9NO4	171.0532	NA	KEGG	NA	NA
+CJpos0398	Dihydroxyphenylethyleneglycol isomer [(M+H)]+ (13C)	C713CH11O4	171.060675	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0398	Dihydroxyphenylethyleneglycol isomer [(M+H)]+ (13C)	C713CH11O4	171.060675	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004260	2-Amino-3-hydroxy-3-(4-imidazolyl)propanoic acid 	C6H9N3O3	171.064391	NA	MeJP	NA	NA
+MJ004261	2-Amino-6-diazo-5-oxohexanoic acid 	C6H9N3O3	171.064391	NA	MeJP	NA	NA
+MJ004262	Metronidazole 	C6H9N3O3	171.064391	NA	MeJP	NA	NA
+MetaCyc01366	6-diazo-5-oxo-L-norleucine [diazooxonorleucine;6-diazo-5-oxo-L-norleucine;]	C6H9N3O3	171.064391	764-17-0	metacyc	NA	NA
+3544	ACE inhibitor	LNP	171.08945	MH2+	Inhouse_peptide	NA	peptide
+C10284	Crotanecine	C8H13NO3	171.0895	NA	KEGG	NA	NA
+C11837	N-Butyryl-L-homoserine lactone	C8H13NO3	171.0895	NA	KEGG	NA	NA
+MJ004263	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, N-Oxide 	C8H13NO3	171.089543	NA	MeJP	NA	NA
+MJ004264	2-Amino-4-hydroxy-3-methylpentanoic acid, ?-Lactone, N-Ac 	C8H13NO3	171.089543	NA	MeJP	NA	NA
+MJ004265	Crotanecine 	C8H13NO3	171.089543	NA	MeJP	NA	NA
+MJ004266	Diethadione 	C8H13NO3	171.089543	NA	MeJP	NA	NA
+MJ004267	Fumaric acid; 2-Methylpropylamide 	C8H13NO3	171.089543	NA	MeJP	NA	NA
+MJ004268	N-(Tetrahydro-2-oxo-3-furanyl)butanamide 	C8H13NO3	171.089543	NA	MeJP	NA	NA
+MJ004269	2-Propylquinoline 	C12H13N	171.104799	NA	MeJP	NA	NA
+MJ004270	Rasagiline 	C12H13N	171.104799	NA	MeJP	NA	NA
+3975	ACE inhibitor	VPK	171.107	MH2+	Inhouse_peptide	NA	peptide
+MJ004271	Moroxydine 	C6H13N5O	171.11201	NA	MeJP	NA	NA
+MJ004272	1-(Aminomethyl)cyclohexaneacetic acid 	C9H17NO2	171.125928	NA	MeJP	NA	NA
+MJ004273	4-Hydroxy-2-methyl-6-propylpiperidine, 2'-Oxo 	C9H17NO2	171.125928	NA	MeJP	NA	NA
+MJ004274	Stachydrine, Et ester 	C9H18NO2(+)	171.125928	NA	MeJP	NA	NA
+HMDB05015	Gabapentin	C9H17NO2	171.12593	http://www.hmdb.ca/metabolites/HMDB05015	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05015	Gabapentin	C9H17NO2	171.12593	http://www.hmdb.ca/metabolites/HMDB05015	HMDB	NA	NA
+HMDB05015	Gabapentin	C9H17NO2	171.12593	http://www.hmdb.ca/metabolites/HMDB05015	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05015	Gabapentin	C9H17NO2	171.12593	HMDB05015	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05015	Gabapentin	C9H17NO2	171.125931	NA	HMDB2010	NA	NA
+MJ004275	1-(3-Methylbutyl)-3-pyrrolidinemethanol 	C10H21NO	171.162314	NA	MeJP	NA	NA
+MJ004276	2-(2-Hydroxybutyl)piperidine, N-Me 	C10H21NO	171.162314	NA	MeJP	NA	NA
+MJ004277	2-Methyl-4-(3-methyl-1-pyrrolidinyl)-1-butanol 	C10H21NO	171.162314	NA	MeJP	NA	NA
+MJ004278	6-Pentyl-3-piperidinol 	C10H21NO	171.162314	NA	MeJP	NA	NA
+MJ004279	Halosaline 	C10H21NO	171.162314	NA	MeJP	NA	NA
+MJ004280	(1,1,3,3-Tetramethylbutyl)guanidine 	C9H21N3	171.173547	NA	MeJP	NA	NA
+MJ004281	6-Methyl-2-heptylamine, N-Isopropyl 	C11H25N	171.198699	NA	MeJP	NA	NA
+7542	ACE inhibitor	DLP	171.58145	MH2+	Inhouse_peptide	NA	peptide
+3421	ACE inhibitor	LVL	171.618	MH2+	Inhouse_peptide	NA	peptide
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	171.6361235	MH2+	Inhouse_peptide	NA	peptide
+MJ004282	Dibromomethane 	CH2Br2	171.852325	NA	MeJP	NA	NA
+MJ004283	2-Iodoethanol 	C2H5IO	171.938508	NA	MeJP	NA	NA
+C14453	4-Bromophenol	C6H5BrO	171.9524	NA	KEGG	NA	NA
+C14839	Bromobenzene-3,4-oxide	C6H5BrO	171.9524	NA	KEGG	NA	NA
+C14840	Bromobenzene-2,3-oxide	C6H5BrO	171.9524	NA	KEGG	NA	NA
+C14841	2-Bromophenol	C6H5BrO	171.9524	NA	KEGG	NA	NA
+MJ004284	3-Chloro-4-hydroxybenzoic acid 	C7H5ClO3	171.992721	NA	MeJP	NA	NA
+MJ004285	3,5-Dihydroxy-4-oxo-4H-pyran-2-carboxylic acid 	C6H4O6	172.000787	NA	MeJP	NA	NA
+MJ004286	Tetrahydroxy-1,4-benzoquinone 	C6H4O6	172.000787	NA	MeJP	NA	NA
+MJ004287	2,2-Bis(chloromethyl)-1,3-propanediol 	C5H10Cl2O2	172.005784	NA	MeJP	NA	NA
+C06011	Benzenamine sulfate	C6H6NO3S	172.0068	NA	KEGG	NA	NA
+C06012	Cytochrome c3	C6H6NO3S	172.0068	NA	KEGG	NA	NA
+C06014	EF-Ts	C6H6NO3S	172.0068	NA	KEGG	NA	NA
+C06016	Pentosan	C6H6NO3S	172.0068	NA	KEGG	NA	NA
+MetaCyc01367	benzenamine sulfate []	C6H6N1O3S1	172.006839	NA	metacyc	NA	NA
+HMDB00126	Glyceryl phosphate	C3H9O6P	172.01367	http://www.hmdb.ca/metabolites/HMDB00126	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00126	Glyceryl phosphate	C3H9O6P	172.01367	http://www.hmdb.ca/metabolites/HMDB00126	HMDB	NA	NA
+HMDB02520	beta-Glycerophosphoric acid	C3H9O6P	172.01367	http://www.hmdb.ca/metabolites/HMDB02520	HMDB	NA	NA
+HMDB02722	Phosphatidyl glycerol	C3H9O6P	172.01367	http://www.hmdb.ca/metabolites/HMDB02722	HMDB	NA	NA
+HMDB00126	Glyceryl phosphate	C3H9O6P	172.01367	http://www.hmdb.ca/metabolites/HMDB00126	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00126	Glyceryl phosphate	C3H9O6P	172.01367	HMDB00126	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02520	beta-Glycerophosphoric acid	C3H9O6P	172.01367	HMDB02520	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02722	Phosphatidyl glycerol	C3H9O6P	172.01367	HMDB02722	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00126	Glycerol 3-phosphate	C3H9O6P	172.013672	NA	HMDB2010	NA	NA
+HMDB02520	Beta-Glycerophosphoric acid	C3H9O6P	172.013672	NA	HMDB2010	NA	NA
+MJ004288	sn-Glycerol 3-phosphate 	C3H9O6P	172.013674	NA	MeJP	NA	NA
+MJ004289	Glycerol 2-monophosphate 	C3H9O6P	172.013674	NA	MeJP	NA	NA
+MetaCyc01368	sn-glyceryl-phosphate []	C3H9O6P1	172.013675	NA	metacyc	NA	NA
+MetaCyc01369	sn-glycerol-1-phosphate []	C3H9O6P1	172.013675	NA	metacyc	NA	NA
+MetaCyc01370	sn-glycerol-3-phosphate [&alpha;-glycerophosphoric acid;glycerol-3-P;glycerol-1-phosphate;&alpha;-glycerophosphate;D-glycerol-3-phosphate;rac-Glycerol 3-phosphate;glycerol-3-phosphate;]	C3H9O6P1	172.013675	57-03-4	metacyc	NA	NA
+MetaCyc01371	glycerol 2-phosphate []	C3H9O6P1	172.013675	3249-68-1	metacyc	NA	NA
+MetaCyc01372	2-glycerophosphate []	C3H9O6P1	172.013675	NA	metacyc	NA	NA
+C00093	sn-Glycerol 3-phosphate	C3H9O6P	172.0137	NA	KEGG	NA	NA
+C00623	Glycerol 1-phosphate	C3H9O6P	172.0137	NA	KEGG	NA	NA
+C02979	Glycerol 2-phosphate	C3H9O6P	172.0137	NA	KEGG	NA	NA
+C03189	DL-Glycerol 1-phosphate	C3H9O6P	172.0137	NA	KEGG	NA	NA
+CJneg0225	Glycerol Phosphate [(M-H)]-	C3H8O6P	172.014225	C18rt(min)=0.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0225	Glycerol Phosphate [(M-H)]-	C3H8O6P	172.014225	C18rt(min)=0.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C06677	Toluene-4-sulfonate	C7H8O3S	172.0194	NA	KEGG	NA	NA
+HMDB11635	p-Cresol sulfate	C7H8O3S	172.019409	NA	HMDB2010	NA	NA
+MJ004290	Toluene-4-sulfonate 	C7H8O3S	172.019414	NA	MeJP	NA	NA
+MetaCyc01373	4-toluenesulfonate [p-toluenesulfonate;4-toluenesulphonate;]	C7H8O3S1	172.019415	104-15-4	metacyc	NA	NA
+MJ004291	2-(3-Chloro-4-hydroxyphenyl)ethanol 	C8H9ClO2	172.029107	NA	MeJP	NA	NA
+MJ004292	2-Chloro-5-methyl-1,3-benzenediol; 1-Me ether 	C8H9ClO2	172.029107	NA	MeJP	NA	NA
+MJ004293	3-Chloro-4-hydroxybenzyl alcohol; 4-Me ether 	C8H9ClO2	172.029107	NA	MeJP	NA	NA
+C07458	Sulfanilamide	C6H8N2O2S	172.0306	NA	KEGG	NA	NA
+MJ004294	3-Amino-3-(2-thiazolyl)propanoic acid 	C6H8N2O2S	172.030648	NA	MeJP	NA	NA
+MJ004295	4-Aminobenzenesulfonic acid; Amide 	C6H8N2O2S	172.030648	NA	MeJP	NA	NA
+CJpos0399	Pentose [(M+Na)]+	C5H10NaO5	172.034175	C18rt(min)=0.95 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0399	Pentose [(M+Na)]+	C5H10NaO5	172.034175	C18rt(min)=0.95 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004296	4,5-Dihydroxy-3-oxo-1-cyclohexenecarboxylic acid 	C7H8O5	172.037173	NA	MeJP	NA	NA
+MJ004297	2-Hydroxy-5-methyl-cis,cis-muconate 	C7H8O5	172.037173	NA	MeJP	NA	NA
+MJ004298	2-Hydroxyhepta-2,4-dienedioate 	C7H8O5	172.037173	NA	MeJP	NA	NA
+MJ004299	2-Hydroxy-5-methyl-cis-muconate 	C7H8O5	172.037173	NA	MeJP	NA	NA
+MJ004300	2-Oxohept-3-enedioate 	C7H8O5	172.037173	NA	MeJP	NA	NA
+MJ004301	3-Dehydroshikimate 	C7H8O5	172.037173	NA	MeJP	NA	NA
+MetaCyc01374	2,4,6-trioxoheptanoate []	C7H8O5	172.037173	NA	metacyc	NA	NA
+MetaCyc01375	3-dehydro-shikimate [3-dehydroshikimic acid;5-dehydroshikimic acid;5-dehydroshikimate;]	C7H8O5	172.037173	2922-42-1	metacyc	NA	NA
+MetaCyc01376	2-hydroxyhepta-2,4-dienedioate [2-hydroxy-hept-2,4-diene-1,7-dioate;HHDD;2-hydroxyhepta-2,4-diene-1,7-dioate;]	C7H8O5	172.037173	NA	metacyc	NA	NA
+MetaCyc01377	2-oxohept-3-enedioate []	C7H8O5	172.037173	NA	metacyc	NA	NA
+MetaCyc01378	2-oxo-hept-3-ene-1,7-dioate [OHED;]	C7H8O5	172.037173	NA	metacyc	NA	NA
+C02637	3-Dehydroshikimate	C7H8O5	172.0372	NA	KEGG	NA	NA
+C02652	5-Dehydroshikimate	C7H8O5	172.0372	NA	KEGG	NA	NA
+C02654	5-Substituted dCMP	C9H13N3O7PR	172.0372	NA	KEGG	NA	NA
+C03063	2-Oxohept-3-enedioate	C7H8O5	172.0372	NA	KEGG	NA	NA
+C05600	2-Hydroxyhepta-2,4-dienedioate	C7H8O5	172.0372	NA	KEGG	NA	NA
+C07478	2-Hydroxy-5-methyl-cis,cis-muconate	C7H8O5	172.0372	NA	KEGG	NA	NA
+C07479	2-Oxo-5-methyl-cis-muconate	C7H8O5	172.0372	NA	KEGG	NA	NA
+MJ004302	Clazamycin 	C7H9ClN2O	172.04034	NA	MeJP	NA	NA
+MJ004303	Pralidoxime(1+); Chloride 	C7H9ClN2O	172.04034	NA	MeJP	NA	NA
+C05565	Hydantoin-5-propionate	C6H8N2O4	172.0484	NA	KEGG	NA	NA
+C13739	(R)-AMAA	C6H8N2O4	172.0484	NA	KEGG	NA	NA
+HMDB01212	Hydantoin-5-propionic acid	C6H8N2O4	172.048401	NA	HMDB2010	NA	NA
+MJ004304	1-Amino-1,2,3-propanetricarboxylic acid, 1''-Nitrile 	C6H8N2O4	172.048406	NA	MeJP	NA	NA
+MJ004305	?-Amino-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid 	C6H8N2O4	172.048406	NA	MeJP	NA	NA
+MJ004306	Antibiotic TAN 950B 	C6H8N2O4	172.048406	NA	MeJP	NA	NA
+MJ004307	?-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid 	C6H8N2O4	172.048406	NA	MeJP	NA	NA
+MJ004308	?-Amino-5-oxo-2(5H)-isoxazolepropanoic acid 	C6H8N2O4	172.048406	NA	MeJP	NA	NA
+MJ004309	Hydantoin-5-propionate 	C6H8N2O4	172.048406	NA	MeJP	NA	NA
+MetaCyc01379	hydantoin propionate []	C6H8N2O4	172.048407	NA	metacyc	NA	NA
+MetaCyc01380	hydantoin-5-propionate []	C6H8N2O4	172.048407	NA	metacyc	NA	NA
+HMDB01212	Hydantoin-5-propionic acid	C6H8N2O4	172.04842	http://www.hmdb.ca/metabolites/HMDB01212	HMDB	NA	NA
+HMDB01212	Hydantoin-5-propionic acid	C6H8N2O4	172.04842	HMDB01212	PFEM_hmdb_metabocards_official	NA	NA
+EUR201	menaquinone-n	C11H8O2	172.0524	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR201	menaquinone-n	C11H8O2	172.0524	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR201	menaquinone-n	C11H8O2	172.0524	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR201	menaquinone-n	C11H8O2	172.0524	Wishlist	Inhousejuil11	NA	NA
+C05377	Menadione	C11H8O2	172.0524	NA	KEGG	NA	NA
+C08446	Dehydromatricaria ester	C11H8O2	172.0524	NA	KEGG	NA	NA
+C08774	(Z)-2-Decene-4,6,8-triynoic acid methylester	C11H8O2	172.0524	NA	KEGG	NA	NA
+C11427	1-Hydroxy-2-naphthaldehyde	C11H8O2	172.0524	NA	KEGG	NA	NA
+C14091	1-Naphthoic acid	C11H8O2	172.0524	NA	KEGG	NA	NA
+C14101	2-Naphthoic acid	C11H8O2	172.0524	NA	KEGG	NA	NA
+HMDB01892	Menadione	C11H8O2	172.052429	NA	HMDB2010	NA	NA
+MJ004310	2,3-Methylenedioxynaphthalene 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004311	2-Decene-4,6,8-triynoic acid, Me ester 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004312	2-Methyl-1,4-naphthoquinone 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004313	3,9,10-Undecatriene-5,7-diynoic acid 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004314	3-Undecene-5,7,10-triynoic acid 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004315	5-Methyl-1,4-naphthoquinone 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004316	6-Methyl-1,4-naphthoquinone 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004317	6-Phenyl-2H-pyran-2-one 	C11H8O2	172.052429	NA	MeJP	NA	NA
+MJ004318	Nemotin 	C11H8O2	172.052429	NA	MeJP	NA	NA
+HMDB01892	Menadione	C11H8O2	172.05243	http://www.hmdb.ca/metabolites/HMDB01892	PFEM_hmdb_metabocards_urine	NA	urine
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01892	Menadione	C11H8O2	172.05243	http://www.hmdb.ca/metabolites/HMDB01892	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01892	Menadione	C11H8O2	172.05243	http://www.hmdb.ca/metabolites/HMDB01892	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01892	Menadione	C11H8O2	172.05243	http://www.hmdb.ca/metabolites/HMDB01892	HMDB	NA	NA
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	HMDB	NA	NA
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc01381	menadione [2-methylnaphthoquinone;1,4-naphthalenedione, 2-methyl-;vitamin K3;1,4-naphthoquinone, 2-methyl-;2-methyl-1,4-naphthalenedione;]	C11H8O2	172.05243	57414-02-5	metacyc	NA	NA
+MetaCyc01382	1-naphthoate [1-naphthoic acid;]	C11H8O2	172.05243	NA	metacyc	NA	NA
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR201	menaquinone-n	C11H8O2	172.05243	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01892	Menadione	C11H8O2	172.05243	HMDB01892	PFEM_hmdb_metabocards_official	NA	NA
+MJ004319	4-Hydroxy-1H-indole-3-acetic acid; Nitrile 	C10H8N2O	172.063662	NA	MeJP	NA	NA
+MJ004320	4-Quinolinecarboxaldehyde; Oxime 	C10H8N2O	172.063662	NA	MeJP	NA	NA
+CJpos0400	Butyrylcarnitine [(M+H)-(NC3H9)]+	C8H13N0O4	172.072975	C18rt(min)=4.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0401	Hydroxysuberic acid isomer [(M+H)-(H2O)]+	C8H13O4	172.072975	C18rt(min)=4.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0400	Butyrylcarnitine [(M+H)-(NC3H9)]+	C8H13N0O4	172.072975	C18rt(min)=4.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0401	Hydroxysuberic acid isomer [(M+H)-(H2O)]+	C8H13O4	172.072975	C18rt(min)=4.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+2753	peptide regulating the stomach mucosal membrane activity	GP	172.073	antibacterial	Inhouse_peptide	NA	peptide
+2754	peptide regulating the stomach mucosal membrane activity	PG	172.073	antibacterial	Inhouse_peptide	NA	peptide
+3169	dipeptidyl peptidase IV inhibitor	GP	172.073	celiac toxic	Inhouse_peptide	NA	peptide
+3283	NA	GP	172.073	celiac toxic	Inhouse_peptide	NA	peptide
+3285	NA	PG	172.073	celiac toxic	Inhouse_peptide	NA	peptide
+3460	Prolyl endopeptidase inhibitor	PG	172.073	ACE inhibitor	Inhouse_peptide	NA	peptide
+3461	Prolyl endopeptidase inhibitor	GP	172.073	ACE inhibitor	Inhouse_peptide	NA	peptide
+7512	ACE inhibitor from Alaskan pollack skin	GP	172.073	antioxidative	Inhouse_peptide	NA	peptide
+7625	ACE inhibitor	PG	172.073	antioxidative	Inhouse_peptide	NA	peptide
+MJ004321	Dihydro-5-(1-hydroxy-2-butenyl)-2(3H)-furanone; 4?-Hydroxy 	C8H12O4	172.073558	NA	MeJP	NA	NA
+MJ004322	Garlicin 	C8H12O4	172.073558	NA	MeJP	NA	NA
+MJ004323	Hexahydro-3a,4-dihydroxy-6(2H)-benzofuranone 	C8H12O4	172.073558	NA	MeJP	NA	NA
+MJ004324	Penicillic acid; 5,6-Dihydro 	C8H12O4	172.073558	NA	MeJP	NA	NA
+HMDB00341	2-Octenedioic acid	C8H12O4	172.07356	http://www.hmdb.ca/metabolites/HMDB00341	HMDB	NA	NA
+HMDB04982	cis-4-Octenedioic acid	C8H12O4	172.07356	http://www.hmdb.ca/metabolites/HMDB04982	HMDB	NA	NA
+HMDB00341	2-Octenedioic acid	C8H12O4	172.07356	HMDB00341	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04982	cis-4-Octenedioic acid	C8H12O4	172.07356	HMDB04982	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00341	2-Octenedioic acid	C8H12O4	172.073563	NA	HMDB2010	NA	NA
+HMDB04982	cis-4-Octenedioic acid	C8H12O4	172.073563	NA	HMDB2010	NA	NA
+HMDB13312	trans-3-Octenedioic acid	C8H12O4	172.073563	NA	HMDB2010	NA	NA
+CJpos0402	Pro-Gly (prolylglycine) [(M+H)]+	C7H13N2O3	172.084275	C18rt(min)=0.98 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0403	Gly-pro (glycylproline) [(M+H)]+	C7H13N2O3	172.084275	C18rt(min)=1.02 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0402	Pro-Gly (prolylglycine) [(M+H)]+	C7H13N2O3	172.084275	C18rt(min)=0.98 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0403	Gly-pro (glycylproline) [(M+H)]+	C7H13N2O3	172.084275	C18rt(min)=1.02 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	http://www.hmdb.ca/metabolites/HMDB00721	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	http://www.hmdb.ca/metabolites/HMDB00721	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	http://www.hmdb.ca/metabolites/HMDB00721	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	http://www.hmdb.ca/metabolites/HMDB00721	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	http://www.hmdb.ca/metabolites/HMDB00721	HMDB	NA	NA
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	NA  ;SYN:N-epsilon-methyllysine; N(6)-Methyllysine; N(6)-methyl-L-lysine; Epsilon-n-methyllysine; (2S)-2-amino-6-(methylamino)hexanoic acid; N-methyl-lysine; N6-Methyl-L-lysine; (S)-2-amino-6-methylaminohexanoic acid; N(zeta)-methyllysine; Epsilon-methyllysine; (2S)-2-amino-6-(methylamino)hexanoate; (S)-2-amino-6-methylaminohexanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	http://www.hmdb.ca/metabolites/HMDB00721	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00721	Glycylproline	C7H12N2O3	172.08479	HMDB00721	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00721	Glycylproline	C7H12N2O3	172.084793	NA	HMDB2010	NA	NA
+HMDB11178	L-prolyl-L-glycine	C7H12N2O3	172.084793	NA	HMDB2010	NA	NA
+PJ000020	GP 	C7H12N2O3	172.0848	NA	PeJP	NA	NA
+C16928	Capillone	C12H12O	172.0888	NA	KEGG	NA	NA
+MJ004325	3,5,7-Dodecatriene-9,11-diyn-1-ol 	C12H12O	172.088815	NA	MeJP	NA	NA
+MJ004326	3,7-Dimethyl-1H-indene-5-carboxaldehyde 	C12H12O	172.088815	NA	MeJP	NA	NA
+MJ004327	4-Dodecene-6,8,10-triyn-3-ol 	C12H12O	172.088815	NA	MeJP	NA	NA
+MJ004328	6-Phenyl-3,5-hexadien-2-one 	C12H12O	172.088815	NA	MeJP	NA	NA
+MJ004329	Palutropone 	C12H12O	172.088815	NA	MeJP	NA	NA
+MJ004330	4-Hydroxyarginine, Lactone 	C6H12N4O2	172.096025	NA	MeJP	NA	NA
+MJ004331	Capreomycidine 	C6H12N4O2	172.096025	NA	MeJP	NA	NA
+MJ004332	Carnosadine 	C6H12N4O2	172.096025	NA	MeJP	NA	NA
+MJ004333	Enduracididine 	C6H12N4O2	172.096025	NA	MeJP	NA	NA
+3760	NA	KPT	172.0965	MH2+	Inhouse_peptide	NA	peptide
+C10656	Deoxypeganine	C11H12N2	172.1	NA	KEGG	NA	NA
+MJ004334	1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline 	C11H12N2	172.100048	NA	MeJP	NA	NA
+MJ004335	2-Ethyl-4-methylquinazoline 	C11H12N2	172.100048	NA	MeJP	NA	NA
+MJ004336	2-Chloro-1,7,7-trimethylbicyclo[2.2.1]heptane 	C10H17Cl	172.101878	NA	MeJP	NA	NA
+C16322	9-Oxononanoic acid	C9H16O3	172.1099	NA	KEGG	NA	NA
+MJ004337	1,7-Dioxaspiro[5.5]undecan-4-ol 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004338	1-(Hydroxymethyl)cyclohexaneacetic acid 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004339	3-Hydroxy-2-methylenebutanoic acid, 2-Methylpropyl ester 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004340	3-Hydroxy-2-methylenebutanoic acid, Butyl ester 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004341	4-(Hydroxymethyl)-4,6-octadiene-2,3-diol 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004342	6-Ethyltetrahydro-4-hydroxy-3,5-dimethyl-2H-pyran-2-one 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004343	Brevicomin, 2R-Hydroxy 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004344	Cerberidol 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004345	Decarestrictine L 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004346	Dihydro-4-hydroxy-5-pentyl-2(3H)-furanone 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004347	Eucommiol; 6-Deoxy 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004348	Tetrahydro-4-hydroxy-6-isopropyl-5-methyl-2H-pyran-2-one 	C9H16O3	172.109944	NA	MeJP	NA	NA
+MJ004349	Tetrahydro-4-hydroxy-6-methyl-2-(2-oxopropyl)-2H-pyran 	C9H16O3	172.109944	NA	MeJP	NA	NA
+8105	peptide derived from dried bonito	VKV	172.115	MH2+	Inhouse_peptide	NA	peptide
+MJ004350	1,2-Dihydro-1,1,6-trimethylnaphthalene 	C13H16	172.1252	NA	MeJP	NA	NA
+MJ004351	1,4-Tridecadiene-7,9-diyne 	C13H16	172.1252	NA	MeJP	NA	NA
+C02131	Acetylagmatine	C7H16N4O	172.1324	NA	KEGG	NA	NA
+C03047	1,4-Diguanidinobutane	C6H16N6	172.1436	NA	KEGG	NA	NA
+MJ004352	1,4-Diguanidinobutane 	C6H16N6	172.143644	NA	MeJP	NA	NA
+MetaCyc01383	1,4-diguanidinobutane []	C6H16N6	172.143645	NA	metacyc	NA	NA
+C01571	Decanoic acid	C10H20O2	172.1463	NA	KEGG	NA	NA
+C02904	p-Menthane-3,8-diol	C10H20O2	172.1463	NA	KEGG	NA	NA
+C02905	tRNA(Asp)-queuosine	C27H39N5O19P2R2	172.1463	NA	KEGG	NA	NA
+C12289	Isoamyl isovalerate	C10H20O2	172.1463	NA	KEGG	NA	NA
+C12292	Ethyl octanoate	C10H20O2	172.1463	NA	KEGG	NA	NA
+MJ004353	1-(1-Ethoxyethoxy)-3-hexene 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004354	1-Hexanol; Butanoyl 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004355	1-Octanol; Ac 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004356	2,6-Dimethyl-3,7-octadiene-2,6-diol; 3,4-Dihydro 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004357	2,6-Dimethyloctanoic acid 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004358	3,7-Dimethyl-2-octene-1,8-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004359	3-Isopropyl-2-heptene-1,6-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004360	3-Methylbutanoic acid; 3-Methylbutyl ester 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004361	4,5-Dimethyloctanoic acid 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004362	4,6-Dimethyloctanoic acid 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004363	7-Hydroxy-3,3-dimethyl-2-octanone 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004364	Decanoic acid 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004365	Hexanoic acid; Butyl ester 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004366	Nonanoic acid; Me ester 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004367	Octanoic acid; Et ester 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004368	p-Menthane-1,2-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004369	p-Menthane-1,3-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004370	p-Menthane-1,4-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004371	p-Menthane-1,8-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004372	p-Menthane-2,3-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004373	p-Menthane-2,5-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+MJ004374	p-Menthane-3,8-diol 	C10H20O2	172.146329	NA	MeJP	NA	NA
+HMDB00511	Capric acid	C10H20O2	172.14633	http://www.hmdb.ca/metabolites/HMDB00511	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00511	Capric acid	C10H20O2	172.14633	http://www.hmdb.ca/metabolites/HMDB00511	HMDB	NA	NA
+MetaCyc01384	n-decanoate [Decanoate (n-C10:0);decanoic acid;caprate;n-capric acid;caprinic acid;caprinate;]	C10H20O2	172.14633	1002-62-6	metacyc	NA	NA
+HMDB00511	Capric acid	C10H20O2	172.14633	http://www.hmdb.ca/metabolites/HMDB00511	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00511	Capric acid	C10H20O2	172.14633	HMDB00511	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00511	Capric acid	C10H20O2	172.146332	NA	HMDB2010	NA	NA
+MJ004375	1-Undecanol 	C11H24O	172.182715	NA	MeJP	NA	NA
+MJ004376	2-Undecanol 	C11H24O	172.182715	NA	MeJP	NA	NA
+2617	synthetic fr, of human beta-CN (99-101) ACE inhibitor	VMP	172.5802	MH2+	Inhouse_peptide	NA	peptide
+3379	ACE inhibitor	AKK	172.6125	MH2+	Inhouse_peptide	NA	peptide
+MJ004377	2-Chloro-4-nitrophenol 	C6H4ClNO3	172.98797	NA	MeJP	NA	NA
+MJ004378	2-Amino-5-nitrothiazoleyl 	C4H3N3O3S	172.989511	NA	MeJP	NA	NA
+MJ004379	4-Aminobenzenesulfonate 	C6H7NO3S	173.014663	NA	MeJP	NA	NA
+MetaCyc01385	orthanilate [2-aminobenzenesulfonate;2-aminobenzenesulfonic acid;]	C6H7N1O3S1	173.014664	NA	metacyc	NA	NA
+C06333	2-Aminobenzenesulfonate	C6H7NO3S	173.0147	NA	KEGG	NA	NA
+C06334	3-Aminobenzenesulfonate	C6H7NO3S	173.0147	NA	KEGG	NA	NA
+C06335	4-Aminobenzenesulfonate	C6H7NO3S	173.0147	NA	KEGG	NA	NA
+CJneg0226	Trigonelline (and isomer) [(M+Cl)]-	C7H7ClNO2	173.024925	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0226	Trigonelline (and isomer) [(M+Cl)]-	C7H7ClNO2	173.024925	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB03470	N-Formyl-L-glutamate	C6H7NO5	173.03242	http://www.hmdb.ca/metabolites/HMDB03470	HMDB	NA	NA
+HMDB03470	N-Formyl-L-glutamate	C6H7NO5	173.03242	HMDB03470	PFEM_hmdb_metabocards_official	NA	NA
+MJ004380	Azaserine 	C5H7N3O4	173.043655	NA	MeJP	NA	NA
+MetaCyc01386	L-azaserine [azaserine;]	C5H7N3O4	173.043656	115-02-6	metacyc	NA	NA
+C06556	Deisopropylatrazine	C5H8ClN5	173.0468	NA	KEGG	NA	NA
+MetaCyc01387	deisopropylatrazine [CEAT;2-chloro-4-ethylamino-6-amino-s-triazine;deethylsimazine;]	C5H8N5CL1	173.046823	NA	metacyc	NA	NA
+MJ004381	4-Quinolinecarboxylic acid 	C10H7NO2	173.047678	NA	MeJP	NA	NA
+MJ004382	6,7-Methylenedioxyisoquinoline 	C10H7NO2	173.047678	NA	MeJP	NA	NA
+MJ004383	7-Quinolinecarboxylic acid 	C10H7NO2	173.047678	NA	MeJP	NA	NA
+MJ004384	8-Hydroxy-4-quinolinecarboxaldehyde 	C10H7NO2	173.047678	NA	MeJP	NA	NA
+MetaCyc01388	quinoline-4-carboxylate []	C10H7N1O2	173.047678	486-74-8	metacyc	NA	NA
+MetaCyc01389	quinaldate []	C10H7N1O2	173.047678	93-10-7	metacyc	NA	NA
+MetaCyc01390	indole-3-glyoxal [3-indoleglyoxal;]	C10H7N1O2	173.047678	NA	metacyc	NA	NA
+HMDB00842	Quinaldic acid	C10H7NO2	173.04768	http://www.hmdb.ca/metabolites/HMDB00842	HMDB	NA	NA
+HMDB00842	Quinaldic acid	C10H7NO2	173.04768	HMDB00842	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00842	Quinaldic acid	C10H7NO2	173.047684	NA	HMDB2010	NA	NA
+C06325	2-Quinolinecarboxylic acid	C10H7NO2	173.0477	NA	KEGG	NA	NA
+C06414	4-Quinolinecarboxylic acid	C10H7NO2	173.0477	NA	KEGG	NA	NA
+C14040	1-Nitronaphthalene	C10H7NO2	173.0477	NA	KEGG	NA	NA
+C14041	Transferred to D02258	C10H7NO2	173.0477	NA	KEGG	NA	NA
+C14042	Transferred to D02259	C10H7NO2	173.0477	NA	KEGG	NA	NA
+C01250	N-Acetyl-L-glutamate 5-semialdehyde	C7H11NO4	173.0688	NA	KEGG	NA	NA
+C12121	5-Deoxy-5-aminoshikimic acid	C7H11NO4	173.0688	NA	KEGG	NA	NA
+C17366	(2S,5S)-trans-Carboxymethylproline	C7H11NO4	173.0688	NA	KEGG	NA	NA
+HMDB06488	N-Acetyl-L-glutamate 5-semialdehyde	C7H11NO4	173.068802	NA	HMDB2010	NA	NA
+MJ004385	6-Acetamido-2-oxohexanoate 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004386	N-Acetyl-L-glutamate 5-semialdehyde 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004387	2,6-Piperidinedicarboxylic acid 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004388	2-Amino-3-heptenedioic acid 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004389	2-Amino-4-ethylidenepentanedioic acid 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004390	2-Amino-4-hydroxyheptanedioic acid; 7,4-Lactone 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004391	3-Hydroxy-2,3-dimethyl-5-oxo-2-pyrrolidinecarboxylic acid 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004392	4-Hydroxy-2-pyrrolidinecarboxylic acid, N-Ac 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MJ004393	?-Amino-1,2-cyclopropanediacetic acid 	C7H11NO4	173.068807	NA	MeJP	NA	NA
+MetaCyc01391	d1-piperidine-dicarboxylate [d1-piperidine-2,6-dicarboxylate;dl-piperidine-2,6-dicarboxylate;]	C7H11N1O4	173.068808	NA	metacyc	NA	NA
+MetaCyc01392	N-acetyl-L-glutamate 5-semialdehyde [N-acetylglutamate &gamma;-semialdehyde;N-acetyl-L-glutamate-5-semialdehyde;N-acetyl-L-glutamate semialdehyde;N-acetylglutamate semialdehyde;2-acetamido-5-oxopentanoate;]	C7H11N1O4	173.068808	NA	metacyc	NA	NA
+HMDB06488	N-Acetyl-L-glutamate 5-semialdehyde	C7H11NO4	173.06882	http://www.hmdb.ca/metabolites/HMDB06488	HMDB	NA	NA
+HMDB06488	N-Acetyl-L-glutamate 5-semialdehyde	C7H11NO4	173.06882	HMDB06488	PFEM_hmdb_metabocards_official	NA	NA
+3164	laminin-like peptide	RGD	173.07445	MH2+	Inhouse_peptide	NA	peptide
+C03771	5-Guanidino-2-oxopentanoate	C6H11N3O3	173.08	NA	KEGG	NA	NA
+MJ004394	2-Oxoarginine 	C6H11N3O3	173.080041	NA	MeJP	NA	NA
+MJ004395	5-Guanidino-2-oxopentanoate 	C6H11N3O3	173.080041	NA	MeJP	NA	NA
+MJ004396	5-Guanidino-2-oxopentanoic acid 	C6H11N3O3	173.080041	NA	MeJP	NA	NA
+MetaCyc01393	2-ketoarginine [2-oxo-5-guanidinopentanoate;2-oxo-5-guanidino-pentanoate;5-guanidino-2-oxo-pentanoate;&alpha;-ketoarginine;2-oxoarginine;5-guanidino-2-oxopentanoate;2-keto-5-guanidinovalerate;]	C6H11N3O3	173.080041	NA	metacyc	NA	NA
+HMDB04225	2-Oxoarginine	C6H11N3O3	173.080048	NA	HMDB2010	NA	NA
+HMDB04225	2-Oxoarginine	C6H11N3O3	173.08005	http://www.hmdb.ca/metabolites/HMDB04225	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04225	2-Oxoarginine	C6H11N3O3	173.08005	http://www.hmdb.ca/metabolites/HMDB04225	HMDB	NA	NA
+HMDB06815	2-Oxo-5-guanidinopentanoate	C6H11N3O3	173.08005	http://www.hmdb.ca/metabolites/HMDB06815	HMDB	NA	NA
+HMDB04225	2-Oxoarginine	C6H11N3O3	173.08005	NA  ;SYN:L-4-hydroxy-proline; L-4-Hydroxyproline; L-4-allo-hydroxy-Proline; 4-hydroxy-L-Proline; cis-4-hydroxy-L-Proline; cis-4-hydroxyproline;(2S)-4-hydroxypyrrolidine-2-carboxylic acid; (4S)-4-hydroxy-L-Proline; allo-4-Hydroxy-L-proline; allo-4-Hydroxyproline; allo-hydroxy-L-Proline; L-AllohydroxyprolineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB04225	2-Oxoarginine	C6H11N3O3	173.08005	http://www.hmdb.ca/metabolites/HMDB04225	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04225	2-Oxoarginine	C6H11N3O3	173.08005	HMDB04225	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06815	2-Oxo-5-guanidinopentanoate	C6H11N3O3	173.08005	HMDB06815	PFEM_hmdb_metabocards_official	NA	NA
+MJ004397	2-Acetyl-3-methylindole 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004398	4-Amino-2-methyl-1-naphthol 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004399	4-Hydroxy-2,3-dimethylquinoline 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004400	4-Hydroxy-2-methylquinoline; NH-form, N-Me 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004401	4-Hydroxy-2-methylquinoline; OH-form, Me ether 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004402	6-Hydroxy-4,8-dimethylquinoline 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004403	6-Hydroxy-5,7-dimethylquinoline 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004404	7-Methyl-1H-indole-3-carboxaldehyde; N-Me 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004405	Louisianin C 	C11H11NO	173.084063	NA	MeJP	NA	NA
+MJ004406	4-Methoxy-1-methylquinolinium(1+) 	C11H12NO(+)	173.084064	NA	MeJP	NA	NA
+C12346	1,3-Dimethyl-8-isoquinolinol	C11H11NO	173.0841	NA	KEGG	NA	NA
+8130	peptide derived from dried bonito	EAK	173.0865	MH2+	Inhouse_peptide	NA	peptide
+CJpos0404	Hexanoylglycine [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.45 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0405	Isovalerylalanine isomer [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0406	N-Acetylisoleucine [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0407	N-Acetylleucine  [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0404	Hexanoylglycine [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.45 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0405	Isovalerylalanine isomer [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0406	N-Acetylisoleucine [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0407	N-Acetylleucine  [(M+H)]+	C8H16NO3	173.104675	C18rt(min)=6.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00701	Hexanoylglycine	C8H15NO3	173.10519	http://www.hmdb.ca/metabolites/HMDB00701	HMDB	NA	NA
+HMDB00747	Isovalerylalanine	C8H15NO3	173.10519	http://www.hmdb.ca/metabolites/HMDB00747	HMDB	NA	NA
+HMDB02087	Isovalerylsarcosine	C8H15NO3	173.10519	http://www.hmdb.ca/metabolites/HMDB02087	HMDB	NA	NA
+HMDB00701	Hexanoylglycine	C8H15NO3	173.10519	HMDB00701	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00747	Isovalerylalanine	C8H15NO3	173.10519	HMDB00747	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02087	Isovalerylsarcosine	C8H15NO3	173.10519	HMDB02087	PFEM_hmdb_metabocards_official	NA	NA
+MJ004407	1,7-Dihydroxy-1-hydroxymethylpyrrolizidine 	C8H15NO3	173.105193	NA	MeJP	NA	NA
+MJ004408	2-Amino-3-methylpentanoic acid, N-Ac 	C8H15NO3	173.105193	NA	MeJP	NA	NA
+MJ004409	5,5-Dimethyl-2-morpholineacetic acid 	C8H15NO3	173.105193	NA	MeJP	NA	NA
+MJ004410	Castanospermine; 6-Epimer, 7-deoxy 	C8H15NO3	173.105193	NA	MeJP	NA	NA
+MJ004411	Leucine, N-Ac 	C8H15NO3	173.105193	NA	MeJP	NA	NA
+MJ004412	Swainsonine 	C8H15NO3	173.105193	NA	MeJP	NA	NA
+MetaCyc01394	N-acetyl-L-leucine []	C8H15N1O3	173.105193	1188-21-2	metacyc	NA	NA
+HMDB00701	Hexanoylglycine	C8H15NO3	173.105194	NA	HMDB2010	NA	NA
+HMDB00747	Isovalerylalanine	C8H15NO3	173.105194	NA	HMDB2010	NA	NA
+HMDB02087	Isovalerylsarcosine	C8H15NO3	173.105194	NA	HMDB2010	NA	NA
+HMDB11756	N-Acetylleucine	C8H15NO3	173.105194	NA	HMDB2010	NA	NA
+C02710	N-Acetyl-L-leucine	C8H15NO3	173.1052	NA	KEGG	NA	NA
+C10173	Swainsonine	C8H15NO3	173.1052	NA	KEGG	NA	NA
+CJneg0227	Isovalerylalanine isomer [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0228	Hexanoylglycine [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.45 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0229	N-Acetylisoleucine [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0230	N-Acetylleucine  [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0227	Isovalerylalanine isomer [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0228	Hexanoylglycine [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.45 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0229	N-Acetylisoleucine [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0230	N-Acetylleucine  [(M-H)]-	C8H14NO3	173.105725	C18rt(min)=6.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH153	Pantothenic acid [M+H-HCOOH]+	NA	173.1124	6.63	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH153	Pantothenic acid [M+H-HCOOH]+	NA	173.1124	6.63	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH153	Pantothenic acid [M+H-HCOOH]+	NA	173.1124	6.63	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH153	Pantothenic acid [M+H-HCOOH]+	NA	173.1124	6.63	Inhousejuil11	NA	NA
+C08288	L-Indospicine	C7H15N3O2	173.1164	NA	KEGG	NA	NA
+MJ004413	Indospicine 	C7H15N3O2	173.116426	NA	MeJP	NA	NA
+MJ004414	N5-(1-Iminoethyl)ornithine 	C7H15N3O2	173.116426	NA	MeJP	NA	NA
+C04599	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine	C12H15N	173.1204	NA	KEGG	NA	NA
+C15476	Norselegiline	C12H15N	173.1204	NA	KEGG	NA	NA
+MJ004415	1,2,3,6-Tetrahydro-4-phenylpyridine; N-Me 	C12H15N	173.120449	NA	MeJP	NA	NA
+MJ004416	Bicifadine 	C12H15N	173.120449	NA	MeJP	NA	NA
+MetaCyc01395	1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine []	C12H15N1	173.120449	28289-54-5	metacyc	NA	NA
+MJ004417	3-Methyl-1-[3-(methylthio)propyl]pyrrolidine 	C9H19NS	173.12382	NA	MeJP	NA	NA
+MJ004418	2-Amino-3-methylpentanoic acid, N-Tri-Me, betaine 	C9H19NO2	173.141578	NA	MeJP	NA	NA
+MJ004419	2-Amino-7-methyloctanoic acid 	C9H19NO2	173.141578	NA	MeJP	NA	NA
+MJ004420	4-(Dimethylamino)-2,3,4,6-tetradeoxy-threo-hexose; ?-D-Pyranose-form, Me glycoside 	C9H19NO2	173.141578	NA	MeJP	NA	NA
+MJ004421	Leucine trimethylbetaine 	C9H19NO2	173.141578	NA	MeJP	NA	NA
+MJ004422	5-Aminopentanoic acid; N-Tri-Me, Me ester 	C9H20NO2(+)	173.141578	NA	MeJP	NA	NA
+3066	thymosin-like peptide	EAE	173.5605	MH2+	Inhouse_peptide	NA	peptide
+C13192	Potassium sulfate	SO4	173.8791	NA	KEGG	NA	NA
+C13193	Transferred to D01727	SO4	173.8791	NA	KEGG	NA	NA
+MJ004423	Potassium sulfate (K2SO4) 	K2O4S	173.879142	NA	MeJP	NA	NA
+MJ004424	Dipotassium phosphate 	HK2O4P	173.888658	NA	MeJP	NA	NA
+C13197	Potassium dibasic phosphate	HPO4	173.8887	NA	KEGG	NA	NA
+MJ004425	Bis(methylthio) selenide 	C2H6S2Se	173.907613	NA	MeJP	NA	NA
+HMDB00250	Pyrophosphate	[P2O7]4-	173.911926	NA	HMDB2010	NA	NA
+MJ004426	Ytterbium 	Yb	173.938858	NA	MeJP	NA	NA
+MJ004427	Aluminium chloride hydroxide (Al2Cl(OH)5) 	Al2ClH5O5	173.945627	NA	MeJP	NA	NA
+MJ004428	cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide 	C6H3ClO4	173.971986	NA	MeJP	NA	NA
+MJ004429	trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide 	C6H3ClO4	173.971986	NA	MeJP	NA	NA
+MetaCyc01396	trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide []	C6H3O4CL1	173.971986	NA	metacyc	NA	NA
+MetaCyc01397	cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide []	C6H3O4CL1	173.971986	NA	metacyc	NA	NA
+MetaCyc01398	2-chloro-trans-dienelactone [2<l>trans</l>-2-Chlorodienelactone;]	C6H3O4CL1	173.971986	NA	metacyc	NA	NA
+C04706	cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide	C6H3ClO4	173.972	NA	KEGG	NA	NA
+C04729	trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide	C6H3ClO4	173.972	NA	KEGG	NA	NA
+C04730	GM3	C42H73N2O21R	173.972	NA	KEGG	NA	NA
+MJ004430	Phenol; Hydrogen sulfate 	C6H6O4S	173.998679	NA	MeJP	NA	NA
+C00850	Aryl sulfate	C6H6O4S	173.9987	NA	KEGG	NA	NA
+C00851	Chitodextrin	C6H6O4S	173.9987	NA	KEGG	NA	NA
+C02180	Phenylsulfate	C6H6O4S	173.9987	NA	KEGG	NA	NA
+C12849	p-Phenolsulfonic acid	C6H6O4S	173.9987	NA	KEGG	NA	NA
+C12850	Transferred to D01404	C6H6O4S	173.9987	NA	KEGG	NA	NA
+C12851	Transferred to D01405	C6H6O4S	173.9987	NA	KEGG	NA	NA
+C12852	Transferred to D01406	C6H6O4S	173.9987	NA	KEGG	NA	NA
+CJneg0231	Phenylsulfate/Phenolsulfonic acid [(M-H)]-	C6H5O4S	173.999225	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0231	Phenylsulfate/Phenolsulfonic acid [(M-H)]-	C6H5O4S	173.999225	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004431	3-(Bromomethyl)cyclohexene 	C7H11Br	174.004412	NA	MeJP	NA	NA
+MetaCyc01399	phenol-phosphate []	C6H7O4P1	174.008195	NA	metacyc	NA	NA
+C02734	Phenolic phosphate	C6H7O4P	174.0082	NA	KEGG	NA	NA
+MJ004432	2-Chloro-5-(hydroxymethyl)-1,4-benzenediol 	C7H7ClO3	174.008371	NA	MeJP	NA	NA
+MJ004433	2-Chloro-6-(hydroxymethyl)-1,4-benzenediol 	C7H7ClO3	174.008371	NA	MeJP	NA	NA
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	PFEM_hmdb_metabocards_urine	NA	urine
+JH076	Aconitic acid (cis-) [M+H]+	C6H6O6	174.0136	7.59	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH076	Aconitic acid (cis-) [M+H]+	C6H6O6	174.0136	7.59	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH076	Aconitic acid (cis-) [M+H]+	C6H6O6	174.0136	7.59	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	HMDB	NA	NA
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	Inhouse_PFEM	NA	NA
+JH076	Aconitic acid (cis-) [M+H]+	C6H6O6	174.0136	7.59	Inhousejuil11	NA	NA
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	PFEM_hmdb_metabocards_blood	NA	blood
+JH076	Aconitic acid (cis-) 	C6H6O6	174.0136	Rtobs7.59	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01400	phenylmethanesulfonyl fluoride [PMSF;]	C7H7O2F1S1	174.015078	NA	metacyc	NA	NA
+C06747	Phenylmethanesulfonyl fluoride	C7H7FO2S	174.0151	NA	KEGG	NA	NA
+CJpos0408	Citric acid [(M+H)-(H2O)]+	C6H7O6	174.015875	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0409	Citric acid [(M+H)-(H2O)]+	C6H7O6	174.015875	C18rt(min)=1.6 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0408	Citric acid [(M+H)-(H2O)]+	C6H7O6	174.015875	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0409	Citric acid [(M+H)-(H2O)]+	C6H7O6	174.015875	C18rt(min)=1.6 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00417	cis-Aconitate	C6H6O6	174.0164	NA	KEGG	NA	NA
+C02341	trans-Aconitate	C6H6O6	174.0164	NA	KEGG	NA	NA
+C02342	'Activated' tRNA	C6H6O6	174.0164	NA	KEGG	NA	NA
+C05422	Dehydroascorbate	C6H6O6	174.0164	NA	KEGG	NA	NA
+HMDB00072	cis-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00072	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00958	trans-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00958	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01264	Dehydroascorbic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB01264	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00072	cis-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00072	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00958	trans-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00958	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00072	cis-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00072	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00958	trans-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00958	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00072	cis-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00072	HMDB	NA	NA
+HMDB00958	trans-Aconitic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB00958	HMDB	NA	NA
+HMDB01264	Dehydroascorbic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB01264	HMDB	NA	NA
+HMDB01264	Dehydroascorbic acid	C6H6O6	174.01643	http://www.hmdb.ca/metabolites/HMDB01264	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00072	cis-Aconitic acid	C6H6O6	174.01643	HMDB00072	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00958	trans-Aconitic acid	C6H6O6	174.01643	HMDB00958	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01264	Dehydroascorbic acid	C6H6O6	174.01643	HMDB01264	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00072	cis-Aconitic acid	C6H6O6	174.016434	NA	HMDB2010	NA	NA
+HMDB00958	trans-Aconitic acid	C6H6O6	174.016434	NA	HMDB2010	NA	NA
+HMDB01264	Dehydroascorbic acid	C6H6O6	174.016434	NA	HMDB2010	NA	NA
+MJ004434	L-Dehydroascorbate 	C6H6O6	174.016437	NA	MeJP	NA	NA
+MJ004435	cis-Aconitate 	C6H6O6	174.016437	NA	MeJP	NA	NA
+MJ004436	Aconitic acid 	C6H6O6	174.016437	NA	MeJP	NA	NA
+MJ004437	Dehydroascorbic acid 	C6H6O6	174.016437	NA	MeJP	NA	NA
+MetaCyc01401	L-dehydro-ascorbate [dehydroascorbate;]	C6H6O6	174.016438	NA	metacyc	NA	NA
+MetaCyc01402	trans-aconitate [trans-aconitic acid;]	C6H6O6	174.016438	4023-65-8	metacyc	NA	NA
+MetaCyc01403	cis-aconitate []	C6H6O6	174.016438	585-84-2	metacyc	NA	NA
+CJneg0232	Citric acid [(M-H)-(H2O)]-	C6H5O6	174.017025	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0232	Citric acid [(M-H)-(H2O)]-	C6H5O6	174.017025	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH118	Citric acid [M+H-H20]+	NA	174.018	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH118	Citric acid [M+H-H20]+	NA	174.018	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH118	Citric acid [M+H-H20]+	NA	174.018	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH118	Citric acid [M+H-H20]+	NA	174.018	2.57	Inhousejuil11	NA	NA
+MJ004438	1-Oxo-1H-2-benzopyran-3-carboxaldehyde 	C10H6O3	174.031694	NA	MeJP	NA	NA
+MJ004439	10-Hydroxy-2-decene-4,6,8-triynoic acid 	C10H6O3	174.031694	NA	MeJP	NA	NA
+MJ004440	2-Hydroxy-1,4-naphthoquinone 	C10H6O3	174.031694	NA	MeJP	NA	NA
+MJ004441	5-Hydroxy-1,4-naphthoquinone 	C10H6O3	174.031694	NA	MeJP	NA	NA
+MJ004442	Furo[2,3,4-d,e]-1-benzopyran-2(5H)-one 	C10H6O3	174.031694	NA	MeJP	NA	NA
+MetaCyc01404	5-hydroxy-1,4-naphthoquinone []	C10H6O3	174.031694	NA	metacyc	NA	NA
+MetaCyc01405	juglone [5-hydroxy-1,4-naphthoquinone;]	C10H6O3	174.031694	NA	metacyc	NA	NA
+C03840	5-Hydroxy-1,4-naphthoquinone	C10H6O3	174.0317	NA	KEGG	NA	NA
+C10368	Lawsone	C10H6O3	174.0317	NA	KEGG	NA	NA
+C16478	3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	C7H7FO4	174.0328	NA	KEGG	NA	NA
+C16479	5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	C7H7FO4	174.0328	NA	KEGG	NA	NA
+C16480	4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	C7H7FO4	174.0328	NA	KEGG	NA	NA
+C16481	6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	C7H7FO4	174.0328	NA	KEGG	NA	NA
+C16482	2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate	C7H7FO4	174.0328	NA	KEGG	NA	NA
+C00493	Shikimate	C7H10O5	174.0528	NA	KEGG	NA	NA
+C04236	(2S)-2-Isopropyl-3-oxosuccinate	C7H10O5	174.0528	NA	KEGG	NA	NA
+C16588	2-Oxopimelate	C7H10O5	174.0528	NA	KEGG	NA	NA
+MJ004443	3-Carboxy-4-methyl-2-oxopentanoate 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004444	Shikimate 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004445	2-Oxoheptanedioic acid 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004446	3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004447	3,4,5,6-Tetrahydroxy-2-methyl-2-cyclohexen-1-one 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004448	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004449	4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004450	4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-one 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004451	4,5-Dihydroxy-4-(1-hydroxyethyl)-2-cyclopenten-1-one; 2,3-Epoxide 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004452	Quinic acid, Lactone 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MJ004453	Tetrahydro-3-hydroxy-5-oxo-3-furanacetic acid; Me ester 	C7H10O5	174.052823	NA	MeJP	NA	NA
+MetaCyc01406	shikimate [shikimic acid;]	C7H10O5	174.052823	138-59-0	metacyc	NA	NA
+MetaCyc01407	2-isopropyl-3-oxosuccinate [(2S)-2-isopropyl-3-oxosuccinate;]	C7H10O5	174.052823	NA	metacyc	NA	NA
+MetaCyc01408	&alpha;-ketopimelate [2-oxoheptanedionic acid;]	C7H10O5	174.052823	NA	metacyc	NA	NA
+HMDB03070	Shikimic acid	C7H10O5	174.052826	NA	HMDB2010	NA	NA
+HMDB12149	2-Isopropyl-3-oxosuccinate	C7H10O5	174.052826	NA	HMDB2010	NA	NA
+HMDB03070	Shikimic acid	C7H10O5	174.05283	http://www.hmdb.ca/metabolites/HMDB03070	HMDB	NA	NA
+HMDB03070	Shikimic acid	C7H10O5	174.05283	HMDB03070	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0233	Shikimic acid isomer [M-H]-	C7H9O5	174.053425	C18rt(min)=0.9 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0233	Shikimic acid isomer [M-H]-	C7H9O5	174.053425	C18rt(min)=0.9 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004454	Di-2-butenyl disulfide 	C8H14S2	174.053691	NA	MeJP	NA	NA
+HMDB00854	Formiminoglutamic acid	C6H10N2O4	174.064056	NA	HMDB2010	NA	NA
+HMDB06028	N-Acetylasparagine	C6H10N2O4	174.064056	NA	HMDB2010	NA	NA
+MJ004455	N-Formimino-L-glutamate 	C6H10N2O4	174.064056	NA	MeJP	NA	NA
+MJ004456	1-Amino-2-nitro-1-cyclopentanecarboxylic acid 	C6H10N2O4	174.064056	NA	MeJP	NA	NA
+MJ004457	2-Amino-3-(2-nitrocyclopropyl)propanoic acid 	C6H10N2O4	174.064056	NA	MeJP	NA	NA
+MJ004458	4-Amino-2,4-pyrrolidinedicarboxylic acid 	C6H10N2O4	174.064056	NA	MeJP	NA	NA
+MJ004459	Glutamic acid, N-Formimidoyl 	C6H10N2O4	174.064056	NA	MeJP	NA	NA
+MetaCyc01409	formyl-isoglutamine []	C6H10N2O4	174.064057	NA	metacyc	NA	NA
+MetaCyc01410	N-formimino-L-glutamate [N-formimino-glutamate;formiminoglutamate;formimino-glu;&alpha;-formamidinoglutarate;N-formimidoyl-L-glutamate;]	C6H10N2O4	174.064057	816-90-0	metacyc	NA	NA
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	HMDB	NA	NA
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	Inhouse_PFEM	NA	NA
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR022	Formimino glutamic acid	C6H10N2O4	174.064058	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00854	Formiminoglutamic acid	C6H10N2O4	174.06406	http://www.hmdb.ca/metabolites/HMDB00854	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00854	Formiminoglutamic acid	C6H10N2O4	174.06406	http://www.hmdb.ca/metabolites/HMDB00854	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00854	Formiminoglutamic acid	C6H10N2O4	174.06406	http://www.hmdb.ca/metabolites/HMDB00854	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00854	Formiminoglutamic acid	C6H10N2O4	174.06406	http://www.hmdb.ca/metabolites/HMDB00854	HMDB	NA	NA
+HMDB00854	Formiminoglutamic acid	C6H10N2O4	174.06406	HMDB00854	PFEM_hmdb_metabocards_official	NA	NA
+EUR022	formimino glutamic acid	C6H10N2O4	174.0641	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR022	formimino glutamic acid	C6H10N2O4	174.0641	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR022	formimino glutamic acid	C6H10N2O4	174.0641	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR022	formimino glutamic acid	C6H10N2O4	174.0641	Wishlist	Inhousejuil11	NA	NA
+C00439	N-Formimino-L-glutamate	C6H10N2O4	174.0641	NA	KEGG	NA	NA
+C16674	Formylisoglutamine	C6H10N2O4	174.0641	NA	KEGG	NA	NA
+JH163	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+	NA	174.0675	13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH163	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+	NA	174.0675	13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH163	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+	NA	174.0675	13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH163	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-2OH]+	NA	174.0675	13.56	Inhousejuil11	NA	NA
+MJ004460	1,4-Naphthalenediol; Mono-Me ether 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004461	1,8-Naphthalenediol; Mono-Me ether 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004462	2,5-Dimethyl-4H-1-benzopyran-4-one 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004463	2,8-Decadiene-4,6-diynoic acid, Me ester 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004464	2-(3-Methyl-3-buten-1-ynyl)-1,4-benzenediol 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004465	2-Methyl-1,4-naphthalenediol 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004466	3-Methyl-1,8-naphthalenediol 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004467	5-(2-Methyloxiranyl)benzofuran 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004468	5-Phenyl-2,4-pentadienoic acid 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MJ004469	6-Hydroxy-5-vinylbenzofuran; Me ether 	C11H10O2	174.068079	NA	MeJP	NA	NA
+MetaCyc01411	menadiol [menadiol;]	C11H10O2	174.06808	NA	metacyc	NA	NA
+C07126	Menadiol	C11H10O2	174.0681	NA	KEGG	NA	NA
+C12344	1,8-Dihydroxy-3-methylnaphthalene	C11H10O2	174.0681	NA	KEGG	NA	NA
+C14084	1,2-Dihydroxy-8-methylnaphthalene	C11H10O2	174.0681	NA	KEGG	NA	NA
+C02693	(Indol-3-yl)acetamide	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C02695	Isomaltosaccharide	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C02699	L-Citrulline ester	C6H12N3O3R	174.0793	NA	KEGG	NA	NA
+C02937	Indole-3-acetaldehyde oxime	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C13008	Edaravone	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C13009	Transferred to D01553	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C13010	Transferred to D01554	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C13011	Transferred to D01555	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C13012	Transferred to D01556	C10H10N2O	174.0793	NA	KEGG	NA	NA
+C13013	Transferred to D01557	C10H10N2O	174.0793	NA	KEGG	NA	NA
+MJ004470	1,2-Dimethyl-4(1H)-quinazolinone 	C10H10N2O	174.079312	NA	MeJP	NA	NA
+MJ004471	1H-Indole-3-acetic acid; Amide 	C10H10N2O	174.079312	NA	MeJP	NA	NA
+MJ004472	2-Hydroxymethyl-4-methylquinazoline 	C10H10N2O	174.079312	NA	MeJP	NA	NA
+MJ004473	Indole-3-acetaldoxime 	C10H10N2O	174.079313	NA	MeJP	NA	NA
+MJ004474	Indole-3-acetamide 	C10H10N2O	174.079313	NA	MeJP	NA	NA
+MetaCyc01412	indole-3-acetamide [1H-indole-3-acetamide;indole-3-acetamide;indoleacetamide;]	C10H10N2O1	174.079313	879-37-8	metacyc	NA	NA
+MetaCyc01413	indole-3-acetaldoxime [3-indoleacetaldoxime;indole-3-acetaldehyde oxime;]	C10H10N2O1	174.079313	NA	metacyc	NA	NA
+HMDB06240	Demethylated antipyrine	C10H10N2O	174.079315	NA	HMDB2010	NA	NA
+HMDB06240	Demethylated antipyrine	C10H10N2O	174.07932	http://www.hmdb.ca/metabolites/HMDB06240	HMDB	NA	NA
+HMDB06240	Demethylated antipyrine	C10H10N2O	174.07932	HMDB06240	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0410	Suberic acid [M+H]+	C8H15O4	174.088675	C18rt(min)=6.46 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0410	Suberic acid [M+H]+	C8H15O4	174.088675	C18rt(min)=6.46 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+7594	ACE inhibitor	VG	174.089	antioxidative	Inhouse_peptide	NA	peptide
+7608	ACE inhibitor	GV	174.089	antioxidative	Inhouse_peptide	NA	peptide
+HMDB00893	Suberic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00893	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00893	Suberic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00893	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00893	Suberic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00893	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00893	Suberic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00893	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00837	cis-3-octenedioic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00837	HMDB	NA	NA
+HMDB00893	Suberic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00893	HMDB	NA	NA
+HMDB02023	Ethyladipic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB02023	HMDB	NA	NA
+C08278	Suberic acid	C8H14O4	174.0892	NA	KEGG	NA	NA
+C14570	Dimethyl adipate	C8H14O4	174.0892	NA	KEGG	NA	NA
+C16658	2-Propylglutaric acid	C8H14O4	174.0892	NA	KEGG	NA	NA
+HMDB00893	Suberic acid	C8H14O4	174.0892	http://www.hmdb.ca/metabolites/HMDB00893	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00837	cis-3-octenedioic acid	C8H14O4	174.0892	HMDB00837	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00893	Suberic acid	C8H14O4	174.0892	HMDB00893	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02023	Ethyladipic acid	C8H14O4	174.0892	HMDB02023	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00893	Suberic acid	C8H14O4	174.089203	NA	HMDB2010	NA	NA
+HMDB02023	Ethyladipic acid	C8H14O4	174.089203	NA	HMDB2010	NA	NA
+MJ004475	3-Hydroxy-4-hydroxymethyl-4-pentenoic acid; Et ester 	C8H14O4	174.089208	NA	MeJP	NA	NA
+MJ004476	3-Isopropylpentanedioic acid 	C8H14O4	174.089208	NA	MeJP	NA	NA
+MJ004477	3-Methylheptanedioic acid 	C8H14O4	174.089208	NA	MeJP	NA	NA
+MJ004478	Octanedioic acid 	C8H14O4	174.089208	NA	MeJP	NA	NA
+MJ004479	Vertimycin 	C8H14O4	174.089208	NA	MeJP	NA	NA
+CJneg0234	Suberic acid [M-H]-	C8H13O4	174.089725	C18rt(min)=6.46 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0234	Suberic acid [M-H]-	C8H13O4	174.089725	C18rt(min)=6.46 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C10665	Echinorine	C11H12NO	174.0919	NA	KEGG	NA	NA
+C00437	N-Acetylornithine	C7H14N2O3	174.1004	NA	KEGG	NA	NA
+C01047	N5-Ethyl-L-glutamine	C7H14N2O3	174.1004	NA	KEGG	NA	NA
+C01048	Polyprenyl phosphate	C5H11O4P	174.1004	NA	KEGG	NA	NA
+HMDB03357	N-Acetylornithine	C7H14N2O3	174.10043	http://www.hmdb.ca/metabolites/HMDB03357	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03357	N-Acetylornithine	C7H14N2O3	174.10043	http://www.hmdb.ca/metabolites/HMDB03357	HMDB	NA	NA
+HMDB03357	N-Acetylornithine	C7H14N2O3	174.10043	http://www.hmdb.ca/metabolites/HMDB03357	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03357	N-Acetylornithine	C7H14N2O3	174.10043	HMDB03357	PFEM_hmdb_metabocards_official	NA	NA
+MJ004480	N2-Acetyl-L-ornithine 	C7H14N2O3	174.100442	NA	MeJP	NA	NA
+MJ004481	1-Amino-8-azabicyclo[3.2.1]octane-2,3,4-triol 	C7H14N2O3	174.100442	NA	MeJP	NA	NA
+MJ004482	2,5-Diaminopentanoic acid, N2-Ac 	C7H14N2O3	174.100442	NA	MeJP	NA	NA
+MJ004483	2,5-Diaminopentanoic acid, N5-Ac 	C7H14N2O3	174.100442	NA	MeJP	NA	NA
+MJ004484	Theanine 	C7H14N2O3	174.100442	NA	MeJP	NA	NA
+MetaCyc01414	N-acetyl-L-ornithine [N2-acetyl-ornithine;N-&alpha;-acetylornithine;N-acetylornithine;acetylornithine;N2-acetyl-L-ornithine;]	C7H14N2O3	174.100442	2185-16-2	metacyc	NA	NA
+MetaCyc01415	N5-ethyl-L-glutamine [N5-ethylglutamine;]	C7H14N2O3	174.100442	NA	metacyc	NA	NA
+HMDB03357	N-Acetylornithine	C7H14N2O3	174.100449	NA	HMDB2010	NA	NA
+HMDB03357	N-Acetylornithine	C7H14N2O3	174.10045	NA  ;SYN:N2-Acetyl-L-arginine; N-alpha-l-acetyl-arginine; N-acetyl-l-arginine; N-alpha-Acetyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ000021	GV 	C7H14N2O3	174.1005	NA	PeJP	NA	NA
+MJ004485	11,12,13-Trinor-1(5),6,9-guaiatrien-8-one 	C12H14O	174.104465	NA	MeJP	NA	NA
+MJ004486	11,12,13-Trinor-7-calamenone 	C12H14O	174.104465	NA	MeJP	NA	NA
+MJ004487	6-Phenyl-3-hexen-2-one 	C12H14O	174.104465	NA	MeJP	NA	NA
+MJ004488	6-Phenyl-4-hexyn-2-ol 	C12H14O	174.104465	NA	MeJP	NA	NA
+MJ004489	Palutropone; 1,2-Dihydro 	C12H14O	174.104465	NA	MeJP	NA	NA
+C17783	Capillanol	C12H14O	174.1045	NA	KEGG	NA	NA
+CJpos0411	Hexanoylglycine [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.45 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0412	Isovalerylalanine isomer [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0413	N-Acetylisoleucine [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0414	N-Acetylleucine  [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.23 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0411	Hexanoylglycine [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.45 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0412	Isovalerylalanine isomer [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0413	N-Acetylisoleucine [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0414	N-Acetylleucine  [(M+H)]+ (13C)	C713CH16NO3	174.107975	C18rt(min)=6.23 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0235	Hexanoylglycine [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.45 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0236	Isovalerylalanine isomer [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0237	N-Acetylisoleucine [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0238	N-Acetylleucine  [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0235	Hexanoylglycine [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.45 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0236	Isovalerylalanine isomer [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0237	N-Acetylisoleucine [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0238	N-Acetylleucine  [(M-H)]- (13C)	C713CH14NO3	174.109125	C18rt(min)=6.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH081	Arginine [M+H]+	C6H14N4O2	174.11114	1.13	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH081	Arginine [M+H]+	C6H14N4O2	174.11114	1.13	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH081	Arginine [M+H]+	C6H14N4O2	174.11114	1.13	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH081	Arginine [M+H]+	C6H14N4O2	174.11114	1.13	Inhousejuil11	NA	NA
+CJpos0415	Arginine (and isomer) [M+H]+	C6H15O2N4	174.111175	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0415	Arginine (and isomer) [M+H]+	C6H15O2N4	174.111175	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004490	D-Arginine 	C6H14N4O2	174.111675	NA	MeJP	NA	NA
+MJ004491	L-Arginine 	C6H14N4O2	174.111675	NA	MeJP	NA	NA
+MJ004492	Arginine 	C6H14N4O2	174.111675	NA	MeJP	NA	NA
+MetaCyc01416	L-arginine [2-amino-5-guanidinovaleric acid;R;arginine;arg;]	C6H14N4O2	174.111676	74-79-3	metacyc	NA	NA
+MetaCyc01417	D-arginine [D-2-Amino-5-guanidinovaleric acid;]	C6H14N4O2	174.111676	157-06-2	metacyc	NA	NA
+HMDB00517	L-Arginine	C6H14N4O2	174.111679	NA	HMDB2010	NA	NA
+HMDB03416	D-Arginine	C6H14N4O2	174.111679	NA	HMDB2010	NA	NA
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB00517	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB00517	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB00517	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB00517	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB00517	HMDB	NA	NA
+HMDB03416	D-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB03416	HMDB	NA	NA
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	Aromatic/Heterocyclic glycine conjugates  ;SYN:4-Aminohippurate; Aminohippurate; Aminohippuric acid; Chlorphentermine; N-(4-Aminobenzoyl)glycine; N-(p-Aminobenzoyl)aminoacetate; N-(p-Aminobenzoyl)aminoacetic acid; N-(p-Aminobenzoyl)glycine; N-(para-aminobenzoyl)glycine; Nefrotest; PAH; Paha; p-Aminohippurate; p-Aminohippuric acid; para-Aminohippurate; para-Aminohippuric acid; paraaminohippuric acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	http://www.hmdb.ca/metabolites/HMDB00517	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00517	L-Arginine	C6H14N4O2	174.11168	HMDB00517	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03416	D-Arginine	C6H14N4O2	174.11168	HMDB03416	PFEM_hmdb_metabocards_official	NA	NA
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	PFEM_hmdb_metabocards_urine	NA	urine
+EUR622	Arginine 	[M+H]+	174.1117	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR622	Arginine 	[M+H]+	174.1117	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR622	Arginine 	[M+H]+	174.1117	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	HMDB	NA	NA
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	Inhouse_PFEM	NA	NA
+EUR622	Arginine 	[M+H]+	174.1117	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	Inhousejuil11	NA	NA
+C00062	L-Arginine	C6H14N4O2	174.1117	NA	KEGG	NA	NA
+C00792	D-Arginine	C6H14N4O2	174.1117	NA	KEGG	NA	NA
+C02385	Amino acid(Arg-)	C6H14N4O2	174.1117	NA	KEGG	NA	NA
+PJ000022	R 	C6H14N4O2	174.1117	NA	PeJP	NA	NA
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	PFEM_hmdb_metabocards_blood	NA	blood
+LABER016	Arginine	NA	174.1117	RT 1.73 175, 60, 70, 116, 130	PFEM_hmdb_metabocards_official	NA	NA
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR548	Arginine	NA	174.112175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR548	Arginine	NA	174.112175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR548	Arginine	[M+H]+	174.1122	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR548	Arginine	[M+H]+	174.1122	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR548	Arginine	[M+H]+	174.1122	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR548	Arginine	[M+H]+	174.1122	identifies dans serum NuGO	Inhousejuil11	NA	NA
+HMDB04370	N-Methyltryptamine	C11H14N2	174.115692	NA	HMDB2010	NA	NA
+MJ004493	1,2,3,6-Tetrahydro-2,3'-bipyridine, N-Me 	C11H14N2	174.115698	NA	MeJP	NA	NA
+MJ004494	1-(1H-Indol-3-yl)-2-propylamine 	C11H14N2	174.115698	NA	MeJP	NA	NA
+MJ004495	3-(Dimethylaminomethyl)indole 	C11H14N2	174.115698	NA	MeJP	NA	NA
+MJ004496	5,6,7,8,9,10-Hexahydro-7,10-iminocycloocta[c]pyridine 	C11H14N2	174.115698	NA	MeJP	NA	NA
+MJ004497	N-Methyltryptamine 	C11H14N2	174.115698	NA	MeJP	NA	NA
+C06213	N-Methyltryptamine	C11H14N2	174.1157	NA	KEGG	NA	NA
+C06215	Levan	C12H22O11	174.1157	NA	KEGG	NA	NA
+C08304	Gramine	C11H14N2	174.1157	NA	KEGG	NA	NA
+HMDB04370	N-Methyltryptamine	C11H14N2	174.11571	http://www.hmdb.ca/metabolites/HMDB04370	HMDB	NA	NA
+HMDB04370	N-Methyltryptamine	C11H14N2	174.11571	HMDB04370	PFEM_hmdb_metabocards_official	NA	NA
+MJ004498	3-Hydroxynonanoic acid 	C9H18O3	174.125594	NA	MeJP	NA	NA
+MJ004499	7-Hydroxynonanoic acid 	C9H18O3	174.125594	NA	MeJP	NA	NA
+MJ004500	8-Hydroxynonanoic acid 	C9H18O3	174.125594	NA	MeJP	NA	NA
+HMDB13287	Ne,Ne dimethyllysine	C8H18N2O2	174.136826	NA	HMDB2010	NA	NA
+MJ004501	2,3,4,6,7-Pentadeoxy-2,6-diamino-ribo-heptose, N6-Me 	C8H18N2O2	174.136827	NA	MeJP	NA	NA
+MJ004502	2,5-Diaminopentanoic acid, N5-Tri-Me 	C8H18N2O2	174.136827	NA	MeJP	NA	NA
+MJ004503	Lysine, N6-Di-Me 	C8H18N2O2	174.136827	NA	MeJP	NA	NA
+MJ004504	5,7a-Dihydro-1,4,4,7a-tetramethyl-4H-indene 	C13H18	174.14085	NA	MeJP	NA	NA
+MJ004505	Bellenamine 	C7H18N4O	174.148061	NA	MeJP	NA	NA
+C07473	Muscarine	C9H20NO2	174.1494	NA	KEGG	NA	NA
+MJ004506	Muscarine 	C9H20NO2	174.149403	NA	MeJP	NA	NA
+JH227	Curcumin N/A	NA	174.1525	21.48	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH227	Curcumin N/A	NA	174.1525	21.48	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH227	Curcumin N/A	NA	174.1525	21.48	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH227	Curcumin N/A	NA	174.1525	21.48	Inhousejuil11	NA	NA
+MJ004507	N,N'-Bis(3-aminopropyl)-1,2-ethanediamine 	C8H22N4	174.184446	NA	MeJP	NA	NA
+7918	synthetic peptide	GHH	174.5685	MH2+	Inhouse_peptide	NA	peptide
+7823	ACE inhibitor from micro algae	FAL	174.5945	MH2+	Inhouse_peptide	NA	peptide
+HMDB01061	Iodate	IO3	174.88922	http://www.hmdb.ca/metabolites/HMDB01061	HMDB	NA	NA
+HMDB01061	Iodate	IO3	174.88922	HMDB01061	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01061	Iodate	[IO3]-	174.889221	NA	HMDB2010	NA	NA
+CJneg0239	Phenylsulfate/Phenolsulfonic acid [(M-H)]- (13C)	C513CH5O4S	175.002625	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0239	Phenylsulfate/Phenolsulfonic acid [(M-H)]- (13C)	C513CH5O4S	175.002625	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0416	Trigonelline (and isomer) [(M+K)]+	C7H7KNO2	175.002975	C18rt(min)=0.93 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0416	Trigonelline (and isomer) [(M+K)]+	C7H7KNO2	175.002975	C18rt(min)=0.93 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004508	4-Isothiocyanato-1-(methylsulfinyl)-1-butene 	C6H9NOS2	175.012555	NA	MeJP	NA	NA
+CJneg0240	Citric acid [(M-H)-(H2O)]- (13C)	C5[13]CH5O6	175.020325	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0240	Citric acid [(M-H)-(H2O)]- (13C)	C5[13]CH5O6	175.020325	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004509	5-(3-Chloropropyl)-4-methylthiazole 	C7H10ClNS	175.022247	NA	MeJP	NA	NA
+MJ004510	Monodehydroascorbate 	C6H7O6	175.024263	NA	MeJP	NA	NA
+MetaCyc01418	monodehydroascorbate []	C6H7O6	175.024263	NA	metacyc	NA	NA
+C01041	Monodehydroascorbate	C6H7O6	175.0243	NA	KEGG	NA	NA
+C08055	Aminosalicylate sodium anhydrous	C7H6NO3	175.0245	NA	KEGG	NA	NA
+C08056	Transferred to D00135	C7H6NO3	175.0245	NA	KEGG	NA	NA
+MJ004511	2-Quinolinemethanethiol 	C10H9NS	175.045569	NA	MeJP	NA	NA
+CJpos0417	N-Acetylaspartic acid [(M+H)]+	C6H10NO5	175.047575	C18rt(min)=1.04 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0417	N-Acetylaspartic acid [(M+H)]+	C6H10NO5	175.047575	C18rt(min)=1.04 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.048065	NA	HMDB2010	NA	NA
+HMDB03470	N-Formyl-L-glutamic acid	C6H9NO5	175.048065	NA	HMDB2010	NA	NA
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	http://www.hmdb.ca/metabolites/HMDB00812	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	http://www.hmdb.ca/metabolites/HMDB00812	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	http://www.hmdb.ca/metabolites/HMDB00812	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	http://www.hmdb.ca/metabolites/HMDB00812	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	http://www.hmdb.ca/metabolites/HMDB00812	HMDB	NA	NA
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	Short chain acyl carnitines  ;SYN:2-[(2-carboxyacetyl)oxy]-4-hydroxy-N,N,N-trimethyl-4-oxo-1-Butanaminium  inner salt; 3-carboxy-2-[(carboxyacetyl)oxy]-N,N,N-trimethyl-1-Propanaminium  inner salt; Malonyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	http://www.hmdb.ca/metabolites/HMDB00812	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00812	N-Acetyl-L-aspartic acid	C6H9NO5	175.04807	HMDB00812	PFEM_hmdb_metabocards_official	NA	NA
+MJ004512	2-Amino-3-oxoadipate 	C6H9NO5	175.048072	NA	MeJP	NA	NA
+MJ004513	N-Acetyl-L-aspartate 	C6H9NO5	175.048072	NA	MeJP	NA	NA
+MJ004514	N-Formyl-L-glutamate 	C6H9NO5	175.048072	NA	MeJP	NA	NA
+MJ004515	2-Amino-3-hydroxy-4-methylenepentanedioic acid 	C6H9NO5	175.048072	NA	MeJP	NA	NA
+MJ004516	Aspartic acid, N-Ac 	C6H9NO5	175.048072	NA	MeJP	NA	NA
+MJ004517	N-(Carboxyacetyl)alanine 	C6H9NO5	175.048072	NA	MeJP	NA	NA
+MetaCyc01419	N-formyl-L-glutamate []	C6H9N1O5	175.048072	NA	metacyc	NA	NA
+MetaCyc01420	N-Acetyl-L-aspartate []	C6H9N1O5	175.048072	NA	metacyc	NA	NA
+MetaCyc01421	2-amino-3-ketoadipate []	C6H9N1O5	175.048072	NA	metacyc	NA	NA
+MetaCyc01422	formylglutamate [formyl-glu;]	C6H9N1O5	175.048072	NA	metacyc	NA	NA
+C01042	N-Acetyl-L-aspartate	C6H9NO5	175.0481	NA	KEGG	NA	NA
+C01045	N-Formyl-L-glutamate	C6H9NO5	175.0481	NA	KEGG	NA	NA
+C05520	2-Amino-3-oxoadipate	C6H9NO5	175.0481	NA	KEGG	NA	NA
+C05524	Aminoacyl-L-methionine	C6H9NO5	175.0481	NA	KEGG	NA	NA
+CJneg0241	N-Acetylaspartic acid [(M-H)]-	C6H8NO5	175.048625	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0242	Oxoproline [(M-H)+(HCOOH)]-	C6H8NO5	175.048625	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0241	N-Acetylaspartic acid [(M-H)]-	C6H8NO5	175.048625	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0242	Oxoproline [(M-H)+(HCOOH)]-	C6H8NO5	175.048625	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004518	1-Isothiocyanato-5-(methylthio)pentane 	C7H13NS2	175.04894	NA	MeJP	NA	NA
+C15996	7-Cyano-7-deazaguanine	C7H5N5O	175.0494	NA	KEGG	NA	NA
+MetaCyc01423	7-cyano-7-deazaguanine [preQ0;]	C7H5N5O1	175.04941	NA	metacyc	NA	NA
+CJneg0243	Shikimic acid isomer [M-H]- (13C)	C6[13]CH9O5	175.056725	C18rt(min)=0.9 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0243	Shikimic acid isomer [M-H]- (13C)	C6[13]CH9O5	175.056725	C18rt(min)=0.9 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03139	N-Amidino-L-aspartate	C5H9N3O4	175.0593	NA	KEGG	NA	NA
+MetaCyc01424	N-amidino-L-aspartate [N-amidino-L-aspartic acid;guanidinosuccinic acid;]	C5H9N3O4	175.059306	6133-30-8	metacyc	NA	NA
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	http://www.hmdb.ca/metabolites/HMDB03157	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	http://www.hmdb.ca/metabolites/HMDB03157	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	http://www.hmdb.ca/metabolites/HMDB03157	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	http://www.hmdb.ca/metabolites/HMDB03157	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	http://www.hmdb.ca/metabolites/HMDB03157	HMDB	NA	NA
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	NA  ;SYN:(+-)-Selenomethionine; (2S)-2-amino-4-(methylseleno)butanoic acid; (S)-2-amino-4-(methylseleno)-Butanoic acid; (S)-2-Amino-4-(methylseleno)butanoic acid; (S)-2-Amino-4-(methylseleno)butyric acid; 2-amino-4-(methylseleno)butanoate; 2-amino-4-(methylseleno)butanoic acid; 2-Amino-4-(methylselenyl)butyrate; 2-Amino-4-(methylselenyl)butyric acid; DL-Selenomethionine; L(+)-Selenomethionine; L-2-amino-4-(methylselenyl)-Butyric acid; L-Selenomethionine; L-Selenomethioninum; MSE; Selenium methionine; Selenium-L-methionine; Seleno-D,L-methionine; Seleno-DL-methionine; Seleno-L-methionine; Selenomethionine Se 75; SeMet; Sethotope; (2S)-2-amino-4-(methylseleno)butanoate; (S)-2-amino-4-(methylseleno)-Butanoate; (S)-2-Amino-4-(methylseleno)butanoateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	http://www.hmdb.ca/metabolites/HMDB03157	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.05931	HMDB03157	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03157	Guanidinosuccinic acid	C5H9N3O4	175.059311	NA	HMDB2010	NA	NA
+CJpos0418	4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+	C10H10NO2	175.062775	C18rt(min)=6.62 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0418	4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+	C10H10NO2	175.062775	C18rt(min)=6.62 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00954	Indole-3-acetate	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C01386	NH2Mec	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C02298	N-Acetylindoxyl	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C03230	(Indol-3-yl)glycolaldehyde	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C05634	5-Hydroxyindoleacetaldehyde	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C06331	2-Methylquinoline-3,4-diol	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C06344	3-Methyl-quinolin-2,8-diol	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C06525	Gentianine	C10H9NO2	175.0633	NA	KEGG	NA	NA
+C11504	3-Hydroxy-2-methyl-1H-quinolin-4-one	C10H9NO2	175.0633	NA	KEGG	NA	NA
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB00197	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB00197	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB00197	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB00197	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB00197	HMDB	NA	NA
+HMDB04073	5-Hydroxyindoleacetaldehyde	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB04073	HMDB	NA	NA
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	http://www.hmdb.ca/metabolites/HMDB00197	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00197	Indoleacetic acid	C10H9NO2	175.06332	HMDB00197	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04073	5-Hydroxyindoleacetaldehyde	C10H9NO2	175.06332	HMDB04073	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00197	Indoleacetic acid	C10H9NO2	175.063324	NA	HMDB2010	NA	NA
+HMDB04073	5-Hydroxyindoleacetaldehyde	C10H9NO2	175.063324	NA	HMDB2010	NA	NA
+MJ004519	3-Indoleglycolaldehyde 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004520	5-Hydroxyindoleacetaldehyde 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004521	Indole-3-acetate 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004522	N-Acetylindoxyl 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004523	1-Phenyl-2-propyn-1-ol, Carbamate 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004524	1H-Indol-3-ol; OH-form, O-Ac 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004525	1H-Indole-3-acetic acid 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004526	1H-Indole-3-carboxaldehyde; 1-Methoxy 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004527	1H-Indole-3-carboxylic acid; Me ester 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004528	2,4-Quinolinediol; 2-One-form, 4-Me ether 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004529	3-(Hydroxyacetyl)-1H-indole 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004530	Gentiana Alkaloid V 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MJ004531	Gentianine 	C10H9NO2	175.063328	NA	MeJP	NA	NA
+MetaCyc01425	indole-3-ketol []	C10H9N1O2	175.063329	NA	metacyc	NA	NA
+MetaCyc01426	5-hydroxyindole acetaldehyde []	C10H9N1O2	175.063329	NA	metacyc	NA	NA
+MetaCyc01427	indole-3-glycol aldehyde [2-hydroxy-2-(1H-indol-3-yl)acetaldehyde;3-indoleglycol aldehyde;]	C10H9N1O2	175.063329	NA	metacyc	NA	NA
+MetaCyc01428	3-hydroxy-2-methyl-1H-quinolin-4-one []	C10H9N1O2	175.063329	NA	metacyc	NA	NA
+MetaCyc01429	indole-3-acetate [IAA;indole-3-acetic acid;indoleacetic acid;auxin;indoleacetate;]	C10H9N1O2	175.063329	87-51-4	metacyc	NA	NA
+CJneg0244	Indoleacetic acid [(M-H)]-	C10H8NO2	175.063925	C18rt(min)=7.36 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0245	Indoleacetic acid isomer [(M-H)]-	C10H8NO2	175.063925	C18rt(min)=4.78 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0244	Indoleacetic acid [(M-H)]-	C10H8NO2	175.063925	C18rt(min)=7.36 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0245	Indoleacetic acid isomer [(M-H)]-	C10H8NO2	175.063925	C18rt(min)=4.78 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB02201	N-Carboxyethyl-g-aminobutyric acid	C7H13NO4	175.084457	NA	HMDB2010	NA	NA
+MJ004532	1-Nitro-2-pentanol, Ac 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004533	2-Amino-4-ethylpentanedioic acid 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004534	2-Aminoheptanedioic acid 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004535	2-Ethylglutamic acid 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004536	4,5-Dihydroxy-2-piperidinecarboxylic acid, N-Me 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004537	8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004538	8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004539	8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004540	Detoxinine 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+MJ004541	Valienamine 	C7H13NO4	175.084457	NA	MeJP	NA	NA
+HMDB02201	N-Carboxyethyl-gamma-aminobutyric acid	C7H13NO4	175.08446	http://www.hmdb.ca/metabolites/HMDB02201	HMDB	NA	NA
+HMDB02201	N-Carboxyethyl-gamma-aminobutyric acid	C7H13NO4	175.08446	HMDB02201	PFEM_hmdb_metabocards_official	NA	NA
+C10851	Calystegin B2	C7H13NO4	175.0845	NA	KEGG	NA	NA
+C10898	2-Benzimidazolylguanidine	C8H9N5	175.0858	NA	KEGG	NA	NA
+3377	ACE inhibitor (from bovine as1-CN)	FGK	175.0915	MH2+	Inhouse_peptide	NA	peptide
+CJneg0246	Suberic acid [M-H]- (13C)	C7[13]CH13O4	175.093125	C18rt(min)=6.46 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0246	Suberic acid [M-H]- (13C)	C7[13]CH13O4	175.093125	C18rt(min)=6.46 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0419	Citrulline isomers [(M+H)]+	C6H14N3O3	175.095175	C18rt(min)=0.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0419	Citrulline isomers [(M+H)]+	C6H14N3O3	175.095175	C18rt(min)=0.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	PFEM_hmdb_metabocards_urine	NA	urine
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	HMDB	NA	NA
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	Inhouse_PFEM	NA	NA
+LABER055	citrulline	NA	175.09536	176.10256	Inhouse_sept12	NA	NA
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	Inhousejuil11	NA	NA
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	PFEM_hmdb_metabocards_blood	NA	blood
+LABER055	citrulline	NA	175.09536	RT 2.12 fragt 176, 159, 70, 113	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00904	Citrulline	C6H13N3O3	175.095688	NA	HMDB2010	NA	NA
+HMDB03148	Argininic acid	C6H13N3O3	175.095688	NA	HMDB2010	NA	NA
+HMDB00904	Citrulline	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB00904	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00904	Citrulline	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB00904	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03148	Argininic acid	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB03148	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00904	Citrulline	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB00904	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00904	Citrulline	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB00904	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00904	Citrulline	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB00904	HMDB	NA	NA
+HMDB03148	Argininic acid	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB03148	HMDB	NA	NA
+HMDB00904	Citrulline	C6H13N3O3	175.09569	NA  ;SYN:( -)-3-Amino-2-thiolanon; ( -)-3-Aminotetrahydro-2-thiophenon; (+-)-3-Aminodihydro-2(3H)-thiophenone; 3-Aminodihydro-2(3H)-thiophenone; DL-3-Aminotetrahydro-2-thiophenone; DL-Homocysteine thiolactone; L-Homocysteine thiolactoneH2Blood	Inhouse_peptide	NA	peptide
+HMDB03148	Argininic acid	C6H13N3O3	175.09569	NA  ;SYN:(+-)-Selenomethionine; (2S)-2-amino-4-(methylseleno)butanoic acid; (S)-2-amino-4-(methylseleno)-Butanoic acid; (S)-2-Amino-4-(methylseleno)butanoic acid; (S)-2-Amino-4-(methylseleno)butyric acid; 2-amino-4-(methylseleno)butanoate; 2-amino-4-(methylseleno)butanoic acid; 2-Amino-4-(methylselenyl)butyrate; 2-Amino-4-(methylselenyl)butyric acid; DL-Selenomethionine; L(+)-Selenomethionine; L-2-amino-4-(methylselenyl)-Butyric acid; L-Selenomethionine; L-Selenomethioninum; MSE; Selenium methionine; Selenium-L-methionine; Seleno-D,L-methionine; Seleno-DL-methionine; Seleno-L-methionine; Selenomethionine Se 75; SeMet; Sethotope; (2S)-2-amino-4-(methylseleno)butanoate; (S)-2-amino-4-(methylseleno)-Butanoate; (S)-2-Amino-4-(methylseleno)butanoateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00904	Citrulline	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB00904	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03148	Argininic acid	C6H13N3O3	175.09569	http://www.hmdb.ca/metabolites/HMDB03148	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00904	Citrulline	C6H13N3O3	175.09569	HMDB00904	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03148	Argininic acid	C6H13N3O3	175.09569	HMDB03148	PFEM_hmdb_metabocards_official	NA	NA
+MJ004542	2-Amino-5-amidinooxypentanoic acid 	C6H13N3O3	175.095691	NA	MeJP	NA	NA
+MJ004543	Citrulline 	C6H13N3O3	175.095691	NA	MeJP	NA	NA
+MJ004544	L-Citrulline 	C6H13N3O3	175.095691	NA	MeJP	NA	NA
+MetaCyc01430	citrulline [N&gamma;-carbamylornithine;&alpha;-amino-&gamma;-ureidovaleric acid;&gamma;ureidonorvaline;N5-(Aminocarbonyl)-L-ornithine;L-citrulline;]	C6H13N3O3	175.095691	372-75-8	metacyc	NA	NA
+EUR623	Citrulline 	[M+H]+	175.0957	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR623	Citrulline 	[M+H]+	175.0957	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR623	Citrulline 	[M+H]+	175.0957	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR623	Citrulline 	[M+H]+	175.0957	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00327	L-Citrulline	C6H13N3O3	175.0957	NA	KEGG	NA	NA
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	HMDB	NA	NA
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	Inhouse_PFEM	NA	NA
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis016	Citrulline	HMDB00904_RT1.17_add159,113	175.0963	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	PFEM_hmdb_metabocards_urine	NA	urine
+JH084	Citrulline (L-) [M+H]+	C6H13N3O3	175.0973	1.22	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH084	Citrulline (L-) [M+H]+	C6H13N3O3	175.0973	1.22	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH084	Citrulline (L-) [M+H]+	C6H13N3O3	175.0973	1.22	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	HMDB	NA	NA
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	Inhouse_PFEM	NA	NA
+JH084	Citrulline (L-) [M+H]+	C6H13N3O3	175.0973	1.22	Inhousejuil11	NA	NA
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	PFEM_hmdb_metabocards_blood	NA	blood
+JH084	Citrulline (L-)	C6H13N3O3	175.0973	Rtobs1.22	PFEM_hmdb_metabocards_official	NA	NA
+MJ004545	2-Methyl-1H-indole-4-methanol; Me ether 	C11H13NO	175.099714	NA	MeJP	NA	NA
+MJ004546	4-Amino-1-phenyl-1-penten-3-one 	C11H13NO	175.099714	NA	MeJP	NA	NA
+C17249	7-Methylthioheptanaldoxime	C8H17NOS	175.1031	NA	KEGG	NA	NA
+C13650	Debrisoquin	C10H13N3	175.1109	NA	KEGG	NA	NA
+C13651	Glucagon hydrochloride	C10H13N3	175.1109	NA	KEGG	NA	NA
+HMDB06543	Debrisoquine	C10H13N3	175.110947	NA	HMDB2010	NA	NA
+MJ004547	Debrisoquine 	C10H13N3	175.110947	NA	MeJP	NA	NA
+MJ004548	Phenamazoline 	C10H13N3	175.110947	NA	MeJP	NA	NA
+HMDB06543	Debrisoquine	C10H13N3	175.11095	http://www.hmdb.ca/metabolites/HMDB06543	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06543	Debrisoquine	C10H13N3	175.11095	http://www.hmdb.ca/metabolites/HMDB06543	HMDB	NA	NA
+HMDB06543	Debrisoquine	C10H13N3	175.11095	http://www.hmdb.ca/metabolites/HMDB06543	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06543	Debrisoquine	C10H13N3	175.11095	HMDB06543	PFEM_hmdb_metabocards_official	NA	NA
+MJ004549	Homodimaprit 	C7H17N3S	175.114318	NA	MeJP	NA	NA
+MJ004550	2,3,6-Trideoxy-3-dimethylamino-ribo-hexose 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004551	2-Ethyl-6-methyl-3,4,5-piperidinetriol 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004552	3,4,6-Trideoxy-3-dimethylamino-xylo-hexose 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004553	3-(Dimethylamino)-2,3,6-trideoxy-arabino-hexose 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004554	3-(Dimethylamino)-2,3,6-trideoxy-lyxo-hexose 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004555	4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose; ?-D-Pyranose-form, Me glycoside 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004556	4-Amino-3-hydroxy-6-methylheptanoic acid 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004557	6-Ethyl-2-hydroxymethyl-3,4-piperidinediol 	C8H17NO3	175.120843	NA	MeJP	NA	NA
+MJ004558	Lactoylcholine 	C8H18NO3(+)	175.120843	NA	MeJP	NA	NA
+C18174	Carboxynorspermidine	C7H17N3O2	175.1321	NA	KEGG	NA	NA
+MJ004559	1,2,3,4-Tetrahydro-2,2,8-trimethylquinoline 	C12H17N	175.136099	NA	MeJP	NA	NA
+MJ004560	1-Phenylcyclohexylamine 	C12H17N	175.136099	NA	MeJP	NA	NA
+MJ004561	Nigrifactin 	C12H17N	175.136099	NA	MeJP	NA	NA
+C10162	Nigrifactin	C12H17N	175.1361	NA	KEGG	NA	NA
+7868	peptide from Okara protein	ADF	175.56595	MH2+	Inhouse_peptide	NA	peptide
+2738	regulating phosphoinositole mechanism peptide	LGY	175.584	MH2+	Inhouse_peptide	NA	peptide
+2739	regulating phosphoinositole mechanism peptide	GLY	175.584	MH2+	Inhouse_peptide	NA	peptide
+3099	fragment of bovine alpha s1 casein (92-94)	LGY	175.584	MH2+	Inhouse_peptide	NA	peptide
+3546	ACE inhibitor	VAY	175.584	MH2+	Inhouse_peptide	NA	peptide
+3973	ACE inhibitor (from bovine a-La)	YGL	175.584	MH2+	Inhouse_peptide	NA	peptide
+8036	synthetic peptide	PHV	175.589	MH2+	Inhouse_peptide	NA	peptide
+MJ004562	Chloroiodomethane 	CH2ClI	175.888971	NA	MeJP	NA	NA
+MJ004563	Iodic acid (HIO3) 	HIO3	175.897037	NA	MeJP	NA	NA
+C13964	Fosfomycin calcium	C3H5O4P	175.9551	NA	KEGG	NA	NA
+C13965	Transferred to D02188	C3H5O4P	175.9551	NA	KEGG	NA	NA
+C13966	Transferred to D02189	C3H5O4P	175.9551	NA	KEGG	NA	NA
+MJ004564	1,1,1-Trichloro-2-methyl-2-propanol 	C4H7Cl3O	175.956247	NA	MeJP	NA	NA
+MJ004565	Methanediphosphonic acid 	CH6O6P2	175.96396	NA	MeJP	NA	NA
+MetaCyc01431	methylenediphosphonate [methylenediphosphonic acid;MDP;methylenediphosphonate;methanediphosphonic acid;methanebisphosphonic acid;medronic acid;]	C1H6O6P2	175.963961	NA	metacyc	NA	NA
+JH037	Hydroxybenzoic acid (p-) [M+K]+	NA	175.98759	11.43	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH037	Hydroxybenzoic acid (p-) [M+K]+	NA	175.98759	11.43	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH037	Hydroxybenzoic acid (p-) [M+K]+	NA	175.98759	11.43	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH037	Hydroxybenzoic acid (p-) [M+K]+	NA	175.98759	11.43	Inhousejuil11	NA	NA
+C03572	2-Chloro-cis,cis-muconate	C6H5ClO4	175.9876	NA	KEGG	NA	NA
+C03573	2-Deoxy-alpha-D-glucoside	C6H11O5R	175.9876	NA	KEGG	NA	NA
+C03585	3-Chloro-cis,cis-muconate	C6H5ClO4	175.9876	NA	KEGG	NA	NA
+C04522	2-Chloro-2,5-dihydro-5-oxofuran-2-acetate	C6H5ClO4	175.9876	NA	KEGG	NA	NA
+C07089	5-Chloro-2-hydroxymuconic semialdehyde	C6H5ClO4	175.9876	NA	KEGG	NA	NA
+C16266	3-Chloro-2-hydroxymuconic semialdehyde	C6H5ClO4	175.9876	NA	KEGG	NA	NA
+MJ004566	2-Chloro-2,5-dihydro-5-oxofuran-2-acetate 	C6H5ClO4	175.987636	NA	MeJP	NA	NA
+MJ004567	3-Chloro-cis,cis-muconate 	C6H5ClO4	175.987636	NA	MeJP	NA	NA
+MJ004568	5-Chloro-2-hydroxymuconic semialdehyde 	C6H5ClO4	175.987636	NA	MeJP	NA	NA
+MetaCyc01432	3-chloro-cis,cis-muconate []	C6H5O4CL1	175.987636	NA	metacyc	NA	NA
+MetaCyc01433	2-chloro-cis,cis-muconate []	C6H5O4CL1	175.987636	NA	metacyc	NA	NA
+MetaCyc01434	2-chloro-2,5-dihydro-5-oxofuran-2-acetate [5-Chloro-2,5-dihydro-2-oxofuran-5-acetate;2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate;]	C6H5O4CL1	175.987636	NA	metacyc	NA	NA
+C08171	Sodium thiosalicylate	C7H5O2S	175.9908	NA	KEGG	NA	NA
+C08172	Transferred to D00972	C7H5O2S	175.9908	NA	KEGG	NA	NA
+MJ004569	4-Fluorobenzenesulfonic acid 	C6H5FO3S	175.994342	NA	MeJP	NA	NA
+CJneg0247	Phenylsulfate/Phenolsulfonic acid [(M-H)]- (34S)	C6H5O4S034S	175.995025	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0247	Phenylsulfate/Phenolsulfonic acid [(M-H)]- (34S)	C6H5O4S034S	175.995025	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004570	2-Chloro-4-hydroxy-4-(1-hydroxyethyl)-2-cyclopenten-1-one 	C7H9ClO3	176.024021	NA	MeJP	NA	NA
+NOREF1	ascorbic acid	NA	176.03	177.0372	Inhouse_sept12	NA	NA
+MJ004571	1,2,3-Propanetricarboxylic acid 	C6H8O6	176.032087	NA	MeJP	NA	NA
+MJ004572	2-Hydroxy-2-methyl-4-oxopentanedioic acid 	C6H8O6	176.032087	NA	MeJP	NA	NA
+MJ004573	Alginic acid 	C6H8O6	176.032087	NA	MeJP	NA	NA
+MJ004574	Ascorbic acid 	C6H8O6	176.032087	NA	MeJP	NA	NA
+MJ004575	Glucurono-6,3-lactone 	C6H8O6	176.032087	NA	MeJP	NA	NA
+MJ004576	Isoascorbic acid 	C6H8O6	176.032087	NA	MeJP	NA	NA
+MJ004577	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004578	2-Hydroxy-3-oxoadipate 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004579	4-Hydroxy-4-methyl-2-oxoglutarate 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004580	5-Dehydro-4-deoxy-D-glucuronate 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004581	Ascorbate 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004582	D-Galacturonolactone 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004583	D-Glucuronolactone 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MJ004584	Parapyruvate 	C6H8O6	176.032088	NA	MeJP	NA	NA
+MetaCyc01435	L-ascorbate [vitamin C;ascorbate;L-ascorbate (vitamin C);ascorbic acid;]	C6H8O6	176.032088	50-81-7	metacyc	NA	NA
+MetaCyc01436	D-glucuronolactone [D-glucurono-3,6-lactone;D-glucurono-6,3-lactone;glucuronolactone;]	C6H8O6	176.032088	32449-92-6	metacyc	NA	NA
+MetaCyc01437	4-hydroxy-4-carboxy-2-oxovalerate []	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01438	2-hydroxy-3-oxoadipate []	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01439	D-Glucurono-6,2-lactone []	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01440	5-dehydro-4-deoxy-D-glucuronate [4,5-dihydroxy-2,6-dioxo-hexanoic acid;4-deoxy-L-threo-5-hexosulose uronate;]	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01441	tricarballylate [tricarballylic acid;1,2,3-propanetricarboxylic acid;]	C6H8O6	176.032088	99-14-9	metacyc	NA	NA
+MetaCyc01442	3-deoxy-D-glycero-2,5-hexodiulosonate [(4S)-4,6-dihydroxy-2,5-dioxohexanoate;2,5-diketo-3-deoxy-D-gluconate;]	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01443	L-xylo-Hexulonolactone []	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01444	4-hydroxy-4-methyl-2-oxoglutarate [4-hydroxy-4-methyl-2-ketoglutarate;]	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01445	(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate [4,5-dihydroxy-2,6-dioxo-hexanoic acid;]	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01446	2-keto-L-Gulonolactone []	C6H8O6	176.032088	NA	metacyc	NA	NA
+MetaCyc01447	1,5-anhydro-D-fructose []	C6H8O6	176.032088	NA	metacyc	NA	NA
+HMDB00044	Ascorbic acid	C6H8O6	176.032089	NA	HMDB2010	NA	NA
+HMDB06355	D-Glucurono-6,3-lactone	C6H8O6	176.032089	NA	HMDB2010	NA	NA
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB00044	PFEM_hmdb_metabocards_urine	NA	urine
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB00044	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB00044	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB00044	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB00044	HMDB	NA	NA
+HMDB06355	D-glucurono-6,3-lactone	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB06355	HMDB	NA	NA
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	HMDB	NA	NA
+EUR624	Ascorbic acid 	NA	176.03209	non détecté dans standard mix	HMDB	NA	NA
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	Inhouse_PFEM	NA	NA
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	Inhouse_PFEM	NA	NA
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	http://www.hmdb.ca/metabolites/HMDB00044	PFEM_hmdb_metabocards_blood	NA	blood
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	PFEM_hmdb_metabocards_blood	NA	blood
+EUR198	Vitamin C	C6H8O6	176.03209	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR624	Ascorbic acid 	NA	176.03209	non detecte dans standard mix	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00044	Ascorbic acid	C6H8O6	176.03209	HMDB00044	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06355	D-glucurono-6,3-lactone	C6H8O6	176.03209	HMDB06355	PFEM_hmdb_metabocards_official	NA	NA
+EUR198	Vitamin C	C6H8O6	176.0321	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR624	Ascorbic acid 	NA	176.0321	non detecte dans standard mix	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR198	Vitamin C	C6H8O6	176.0321	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR624	Ascorbic acid 	NA	176.0321	non detecte dans standard mix	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR198	Vitamin C	C6H8O6	176.0321	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR624	Ascorbic acid 	NA	176.0321	non detecte dans standard mix	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR198	Vitamin C	C6H8O6	176.0321	Wishlist	Inhousejuil11	NA	NA
+EUR624	Ascorbic acid 	NA	176.0321	non detecte dans standard mix	Inhousejuil11	NA	NA
+C00072	Ascorbate	C6H8O6	176.0321	NA	KEGG	NA	NA
+C02670	D-Glucuronolactone	C6H8O6	176.0321	NA	KEGG	NA	NA
+C02671	D-Glutamyl-peptide	C5H9N2O3R	176.0321	NA	KEGG	NA	NA
+C02672	D-Hexose phosphate	C5H9N2O3R	176.0321	NA	KEGG	NA	NA
+C03217	2-Hydroxy-3-oxoadipate	C6H8O6	176.0321	NA	KEGG	NA	NA
+C03289	L-xylo-Hexulonolactone	C6H8O6	176.0321	NA	KEGG	NA	NA
+C03387	D-Glucurono-6,2-lactone	C6H8O6	176.0321	NA	KEGG	NA	NA
+C03391	DNA 6-methylaminopurine	C11H16N5O6P	176.0321	NA	KEGG	NA	NA
+C04053	5-Dehydro-4-deoxy-D-glucuronate	C6H8O6	176.0321	NA	KEGG	NA	NA
+C04349	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate	C6H8O6	176.0321	NA	KEGG	NA	NA
+C04471	(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate	C6H8O6	176.0321	NA	KEGG	NA	NA
+C04473	3-alpha-D-Galactosyl-[lipopolysaccharide glucose]	C6H8O6	176.0321	NA	KEGG	NA	NA
+C04475	1-Alkyl-2-acylglycerophosphoethanolamine	C6H12NO7PR2	176.0321	NA	KEGG	NA	NA
+C04476	1-Alkyl-sn-glycero-3-phosphoethanolamine	C5H13NO6PR	176.0321	NA	KEGG	NA	NA
+C06033	Parapyruvate	C6H8O6	176.0321	NA	KEGG	NA	NA
+C06430	D-Galacturonolactone	C6H8O6	176.0321	NA	KEGG	NA	NA
+C06440	2-Dehydro-D-glucono-1,5-lactone	C6H8O6	176.0321	NA	KEGG	NA	NA
+CJneg0248	Ascorbic acid [M-H]-	C6H7O6	176.032625	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0248	Ascorbic acid [M-H]-	C6H7O6	176.032625	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00438	N-Carbamoyl-L-aspartate	C5H8N2O5	176.0433	NA	KEGG	NA	NA
+C04209	N3-Oxalyl-L-2,3-diaminopropanoate	C5H8N2O5	176.0433	NA	KEGG	NA	NA
+HMDB00828	Ureidosuccinic acid	C5H8N2O5	176.04332	http://www.hmdb.ca/metabolites/HMDB00828	HMDB	NA	NA
+HMDB00828	Ureidosuccinic acid	C5H8N2O5	176.04332	HMDB00828	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00828	Ureidosuccinic acid	C5H8N2O5	176.04332	NA	HMDB2010	NA	NA
+MJ004585	2-Amino-3-(oxalylamino)propanoic acid 	C5H8N2O5	176.043321	NA	MeJP	NA	NA
+MJ004586	3-Amino-2-(oxalylamino)propanoic acid 	C5H8N2O5	176.043321	NA	MeJP	NA	NA
+MJ004587	N-Carbamoyl-L-aspartate 	C5H8N2O5	176.043321	NA	MeJP	NA	NA
+MetaCyc01448	N-3-oxalyl-L-2,3-diaminopropanoate [L-&alpha;-amino-&beta;-oxalylaminopropionic acid;]	C5H8N2O5	176.043321	5302-45-4	metacyc	NA	NA
+MetaCyc01449	carbamoyl-L-aspartate [carbamyul-L-aspartate;N-carbamoyl-L-aspartate;carbamyul-aspartate;carbamoyl-aspartate;carbamyl-aspartate;carbamyl-L-aspartate;]	C5H8N2O5	176.043321	16649-79-9	metacyc	NA	NA
+CJpos0420	Monoethyl phthalate [(M+H)-(H2O)]+	C10H9O3	176.046775	C18rt(min)=7.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0420	Monoethyl phthalate [(M+H)-(H2O)]+	C10H9O3	176.046775	C18rt(min)=7.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH124	Ferulic acid [M+H-H20]+	NA	176.0468	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH124	Ferulic acid [M+H-H20]+	NA	176.0468	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH124	Ferulic acid [M+H-H20]+	NA	176.0468	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH124	Ferulic acid [M+H-H20]+	NA	176.0468	13.89	Inhousejuil11	NA	NA
+C01173	1,3,8-Naphthalenertriol	C10H8O3	176.0473	NA	KEGG	NA	NA
+C03081	4-Methylumbelliferone	C10H8O3	176.0473	NA	KEGG	NA	NA
+C09268	Herniarin	C10H8O3	176.0473	NA	KEGG	NA	NA
+MJ004588	1,3,8-Naphthalenetriol 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004589	1,4,5-Naphthalenetriol 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004590	10-Hydroxy-2,8-decadiene-4,6-diynoic acid 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004591	2,8-Decadiene-4,6-diynoic acid, 8,9-Epoxide 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004592	3-(3,4-Methylenedioxyphenyl)propenal 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004593	4-Hydroxy-3-methyl-2H-1-benzopyran-2-one 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004594	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004595	5-Hydroxy-1,4-naphthoquinone; 2,3-Dihydro 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004596	5-Hydroxy-2-methyl-4H-1-benzopyran-4-one 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004597	5-Hydroxy-2H-1-benzopyran-2-one; Me ether 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004598	5-Hydroxy-4-phenyl-2(5H)-furanone 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004599	7-Hydroxy-2H-1-benzopyran-2-one; Me ether 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004600	7-Hydroxy-4-methyl-2H-1-benzopyran-2-one 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004601	7-Hydroxy-6-methyl-2H-1-benzopyran-2-one 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004602	8-Hydroxy-2H-1-benzopyran-2-one; Me ether 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004603	8-Hydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MJ004604	Erythrocentaurin 	C10H8O3	176.047344	NA	MeJP	NA	NA
+MetaCyc01450	1,3,8-naphthalenetriol [1,3,8-trihydroxynaphthalene;]	C10H8O3	176.047344	NA	metacyc	NA	NA
+MetaCyc01451	4-methylumbelliferone [Hymecromone;]	C10H8O3	176.047344	90-33-5	metacyc	NA	NA
+JH209	Hesperetin (C10H9O3)	NA	176.0482	17.78	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH209	Hesperetin (C10H9O3)	NA	176.0482	17.78	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH209	Hesperetin (C10H9O3)	NA	176.0482	17.78	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH209	Hesperetin (C10H9O3)	NA	176.0482	17.78	Inhousejuil11	NA	NA
+C17216	2-Oxo-6-methylthiohexanoic acid	C7H12O3S	176.0507	NA	KEGG	NA	NA
+MJ004605	Erysulfide; S-Oxide (S-) 	C7H12O3S	176.050714	NA	MeJP	NA	NA
+HMDB01209	Allantoic acid	C4H8N4O4	176.05455	http://www.hmdb.ca/metabolites/HMDB01209	HMDB	NA	NA
+HMDB01209	Allantoic acid	C4H8N4O4	176.05455	HMDB01209	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01209	Allantoic acid	C4H8N4O4	176.05455	NA	HMDB2010	NA	NA
+MJ004606	Allantoic acid 	C4H8N4O4	176.054554	NA	MeJP	NA	NA
+MJ004607	Allantoate 	C4H8N4O4	176.054554	NA	MeJP	NA	NA
+MetaCyc01452	allantoate []	C4H8N4O4	176.054555	99-16-1	metacyc	NA	NA
+C00499	Allantoate	C4H8N4O4	176.0546	NA	KEGG	NA	NA
+MJ004608	2,4(1H,3H)-Quinazolinedione; Di-NH-form, 1-Me 	C9H8N2O2	176.058577	NA	MeJP	NA	NA
+MJ004609	2-Amino-5-phenyl-4(5H)-oxazolone 	C9H8N2O2	176.058577	NA	MeJP	NA	NA
+MetaCyc01453	phenylhydantoin []	C9H8N2O2	176.058578	NA	metacyc	NA	NA
+MetaCyc01454	4-hydroxyaminoquinoline-N-oxide []	C9H8N2O2	176.058578	4637-56-3	metacyc	NA	NA
+C04050	4-Hydroxyaminoquinoline N-oxide	C9H8N2O2	176.0586	NA	KEGG	NA	NA
+C07899	Pemoline	C9H8N2O2	176.0586	NA	KEGG	NA	NA
+C07900	Interferon alfa-2a	C9H8N2O2	176.0586	NA	KEGG	NA	NA
+C07901	Interferon beta-1b	C9H8N2O2	176.0586	NA	KEGG	NA	NA
+C07902	Interferon gamma-1b	C9H8N2O2	176.0586	NA	KEGG	NA	NA
+C07903	Interleukin-2	C9H8N2O2	176.0586	NA	KEGG	NA	NA
+MJ004610	Fosmenic acid 	C7H13O3P	176.06023	NA	MeJP	NA	NA
+CJpos0421	4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+ (13C)	C913CH10NO2	176.066175	C18rt(min)=6.62 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0421	4-methylhippuric acid (para-methylhippuric acid) [(M+H)-(H2O)]+ (13C)	C913CH10NO2	176.066175	C18rt(min)=6.62 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+7612	ACE inhibitor	GT	176.068	antioxidative	Inhouse_peptide	NA	peptide
+7621	ACE inhibitor	TG	176.068	antioxidative	Inhouse_peptide	NA	peptide
+HMDB00402	2-Isopropylmalic acid	C7H12O5	176.06847	http://www.hmdb.ca/metabolites/HMDB00402	HMDB	NA	NA
+HMDB02025	2,3-Dimethyl-3-hydroxyglutaric acid	C7H12O5	176.06847	http://www.hmdb.ca/metabolites/HMDB02025	HMDB	NA	NA
+HMDB00402	2-Isopropylmalic acid	C7H12O5	176.06847	HMDB00402	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02025	2,3-Dimethyl-3-hydroxyglutaric acid	C7H12O5	176.06847	HMDB02025	PFEM_hmdb_metabocards_official	NA	NA
+MJ004611	1-Deoxy-2,7-anhydroaltroheptulose 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004612	2-Hydroxy-2-isopropylbutanedioic acid 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004613	2-Hydroxy-3-isopropylbutanedioic acid 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004614	2-Hydroxyheptanedioic acid 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004615	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004616	Cyclophellitol 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004617	2-Isopropylmalate 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004618	2-Propylmalate 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004619	3-Isopropylmalate 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MJ004620	3-Propylmalate 	C7H12O5	176.068473	NA	MeJP	NA	NA
+MetaCyc01455	3-propylmalate []	C7H12O5	176.068473	NA	metacyc	NA	NA
+MetaCyc01456	2-isopropylmalate [3-hydroxy-4-methyl-3-carboxypentanoate;3-carboxy-3-hydroxy-4-methylpentanoate;3-carboxy-3-hydroxy-isocaproate;&alpha;-isopropylmalate;(2S)-2-isopropylmalate;]	C7H12O5	176.068473	NA	metacyc	NA	NA
+MetaCyc01457	3-isopropylmalate [2-D-threo-hydroxy-3-carboxy-isocaproate;3-carboxy-2-hydroxy-4-methylpentanoate;&beta;-isopropylmalate;]	C7H12O5	176.068473	NA	metacyc	NA	NA
+HMDB00402	2-Isopropylmalic acid	C7H12O5	176.068481	NA	HMDB2010	NA	NA
+HMDB02025	2,3-Dimethyl-3-hydroxyglutaric acid	C7H12O5	176.068481	NA	HMDB2010	NA	NA
+HMDB12156	3-Isopropylmalate	C7H12O5	176.068481	NA	HMDB2010	NA	NA
+C02123	3-Propylmalate	C7H12O5	176.0685	NA	KEGG	NA	NA
+C02504	(2S)-2-Isopropylmalate	C7H12O5	176.0685	NA	KEGG	NA	NA
+C03328	(R)-2-(n-Propyl)-malate	C7H12O5	176.0685	NA	KEGG	NA	NA
+C04411	(2R,3S)-3-Isopropylmalate	C7H12O5	176.0685	NA	KEGG	NA	NA
+C05994	2-Propylmalate	C7H12O5	176.0685	NA	KEGG	NA	NA
+CJneg0249	2-isopropylmalic acid [(M-H)]-	C7H11O5	176.069025	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0250	3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]-	C7H11O5	176.069025	C18rt(min)=5.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0251	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]-	C7H11O5	176.069025	C18rt(min)=5.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0249	2-isopropylmalic acid [(M-H)]-	C7H11O5	176.069025	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0250	3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]-	C7H11O5	176.069025	C18rt(min)=5.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0251	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]-	C7H11O5	176.069025	C18rt(min)=5.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000023	GT 	C6H12N2O4	176.0797	NA	PeJP	NA	NA
+MJ004621	N4-(2-Hydroxyethyl)asparagine 	C6H12N2O4	176.079706	NA	MeJP	NA	NA
+C06359	Ethyl cinnamate	C11H12O2	176.0837	NA	KEGG	NA	NA
+C08453	Lachnophyllum ester	C11H12O2	176.0837	NA	KEGG	NA	NA
+C10389	Prenylbenzoquinone	C11H12O2	176.0837	NA	KEGG	NA	NA
+C12299	Cinnamyl acetate	C11H12O2	176.0837	NA	KEGG	NA	NA
+C14083	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene	C11H12O2	176.0837	NA	KEGG	NA	NA
+C14102	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene	C11H12O2	176.0837	NA	KEGG	NA	NA
+C14111	5,6,7,8-Tetrahydro-2-naphthoic acid	C11H12O2	176.0837	NA	KEGG	NA	NA
+MJ004622	2,2-Dimethyl-2H-1-benzopyran-6-ol 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004623	2,3-Dihydro-2,6-dimethyl-4H-1-benzopyran-4-one 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004624	2-(3-Methyl-2-butenyl)-1,4-benzenediol; Quinone 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004625	2-Decene-4,6-diynoic acid, Me ester 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004626	2-Methyl-1-phenyl-3-butyne-1,2-diol 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004627	3-Phenyl-2-propen-1-ol, Ac 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004628	3-Phenyl-2-propenoic acid, Et ester 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004629	5,6-Undecadiene-8,10-diyne-1,3-diol 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004630	5,6-Undecadiene-8,10-diyne-1,4-diol 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004631	5-Methoxy-6,7-dimethylbenzofuran 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004632	5-Phenyl-3-pentenoic acid 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004633	8-Decene-4,6-diynoic acid, Me ester 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MJ004634	Chestersiene 	C11H12O2	176.083729	NA	MeJP	NA	NA
+MetaCyc01458	8-thio-octanoate []	C8H16O2S1	176.0871	NA	metacyc	NA	NA
+MetaCyc01459	6-thio-octanoate []	C8H16O2S1	176.0871	NA	metacyc	NA	NA
+C00308	Canavanine	C5H12N4O3	176.0909	NA	KEGG	NA	NA
+HMDB02706	Canavanine	C5H12N4O3	176.09094	http://www.hmdb.ca/metabolites/HMDB02706	HMDB	NA	NA
+MJ004635	Canavanine 	C5H12N4O3	176.09094	NA	MeJP	NA	NA
+MetaCyc01460	canavanine [L-canavanine;2-amino-4-(guanidinooxy)butyrate;2-amino-4-(guanidinooxy)butyric acid;]	C5H12N4O3	176.09094	543-38-4	metacyc	NA	NA
+HMDB02706	Canavanine	C5H12N4O3	176.09094	HMDB02706	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02706	Canavanine	C5H12N4O3	176.090942	NA	HMDB2010	NA	NA
+CJpos0422	Serotonin [(M+H)]+	C10H13N2O	176.094375	C18rt(min)=4.15 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0423	Cotinine [(M+H)]+	C10H13N2O	176.094375	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0422	Serotonin [(M+H)]+	C10H13N2O	176.094375	C18rt(min)=4.15 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0423	Cotinine [(M+H)]+	C10H13N2O	176.094375	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	HMDB	NA	NA
+HMDB00259	Serotonin	C10H12N2O	176.094955	NA	HMDB2010	NA	NA
+HMDB01046	Cotinine	C10H12N2O	176.094955	NA	HMDB2010	NA	NA
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	Inhouse_PFEM	NA	NA
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	Inhousejuil11	NA	NA
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER077	Serotonine	C10H12N2O	176.094955	RT 2.64 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00259	Serotonin	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB00259	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00259	Serotonin	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB00259	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01046	Cotinine	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB01046	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00259	Serotonin	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB00259	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00259	Serotonin	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB00259	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00259	Serotonin	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB00259	HMDB	NA	NA
+HMDB01046	Cotinine	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB01046	HMDB	NA	NA
+HMDB00259	Serotonin	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB00259	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01046	Cotinine	C10H12N2O	176.09496	http://www.hmdb.ca/metabolites/HMDB01046	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00259	Serotonin	C10H12N2O	176.09496	HMDB00259	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01046	Cotinine	C10H12N2O	176.09496	HMDB01046	PFEM_hmdb_metabocards_official	NA	NA
+MJ004636	3-(2-Aminoethyl)-1H-indol-5-ol 	C10H12N2O	176.094963	NA	MeJP	NA	NA
+MJ004637	3-(2-Pyrrolidinyl)pyridine, N-Formyl 	C10H12N2O	176.094963	NA	MeJP	NA	NA
+MJ004638	5-Hydroxytryptamine 	C10H12N2O	176.094963	NA	MeJP	NA	NA
+MJ004639	Cotinine 	C10H12N2O	176.094963	NA	MeJP	NA	NA
+MetaCyc01461	serotonin [5-methoxytryptamine;5-HT;hydroxytryptamine;5-hydroxytryptamine;]	C10H12N2O1	176.094963	50-67-9	metacyc	NA	NA
+MetaCyc01462	N-hydroxyl-tryptamine []	C10H12N2O1	176.094963	NA	metacyc	NA	NA
+MetaCyc01463	cotinine []	C10H12N2O1	176.094963	NA	metacyc	NA	NA
+EUR199	Serotonin	C10H12N2O	176.095	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR199	Serotonin	C10H12N2O	176.095	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR199	Serotonin	C10H12N2O	176.095	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR199	Serotonin	C10H12N2O	176.095	Wishlist	Inhousejuil11	NA	NA
+C00780	Serotonin	C10H12N2O	176.095	NA	KEGG	NA	NA
+C17203	N-Hydroxyl-tryptamine	C10H12N2O	176.095	NA	KEGG	NA	NA
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR335	Serotonine F1	NA	176.095575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ004640	1,2,6-Trihydroxy-2-methyl-4-heptanone 	C8H16O4	176.104859	NA	MeJP	NA	NA
+MJ004641	2,3-Dihydroxy-2-isopropylbutanoic acid, O3-Me 	C8H16O4	176.104859	NA	MeJP	NA	NA
+MJ004642	2,6-Dideoxy-3-C-methyl-3-O-methyl-ribo-hexose 	C8H16O4	176.104859	NA	MeJP	NA	NA
+MJ004643	2,6-Dideoxy-3-C-methyl-xylo-hexose, 3-Me 	C8H16O4	176.104859	NA	MeJP	NA	NA
+MJ004644	2,6-Dideoxy-3-O-methyl-lyxo-hexose; ?-D-Pyranose-form, Me glycoside 	C8H16O4	176.104859	NA	MeJP	NA	NA
+MJ004645	2,6-Dideoxy-arabino-hexose, O3-Et 	C8H16O4	176.104859	NA	MeJP	NA	NA
+MJ004646	5-Hydroxy-4-hydroxymethyl-2-propyl-1,3-dioxane 	C8H16O4	176.104859	NA	MeJP	NA	NA
+C11917	L-Cladinose	C8H16O4	176.1049	NA	KEGG	NA	NA
+MJ004647	1,3-Diamino-1,2,3-trideoxy-myo-inositol; N-Me 	C7H16N2O3	176.116092	NA	MeJP	NA	NA
+MJ004648	3,6-Diamino-5-hydroxyheptanoic acid 	C7H16N2O3	176.116092	NA	MeJP	NA	NA
+MJ004649	11,12,13-Trinor-6,9-eremophiladien-8-one 	C12H16O	176.120115	NA	MeJP	NA	NA
+MJ004650	11-Dodecene-2,4-diyn-1-ol 	C12H16O	176.120115	NA	MeJP	NA	NA
+MJ004651	4-(4-Methylphenyl)-2-pentanone 	C12H16O	176.120115	NA	MeJP	NA	NA
+MJ004652	5,6,7,8-Tetrahydro-8-methyl-2-naphthalenol; Me ether 	C12H16O	176.120115	NA	MeJP	NA	NA
+MJ004653	2,5-Dimethyl-3-(3-methyl-2-butenyl)pyrazine 	C11H16N2	176.131348	NA	MeJP	NA	NA
+MJ004654	3-(2-Piperidinyl)pyridine, N-Me 	C11H16N2	176.131348	NA	MeJP	NA	NA
+MJ004655	3-(2-Pyrrolidinyl)pyridine, N-Et 	C11H16N2	176.131348	NA	MeJP	NA	NA
+MJ004656	1,2,3,4,6,7,8,9-Octahydrodipyrido[1,2-a:1',2'-c]imidazol-10-ium(1+) 	C11H17N2(+)	176.131348	NA	MeJP	NA	NA
+MJ004657	3,5,7,9-Tridecatetraene 	C13H20	176.1565	NA	MeJP	NA	NA
+MJ004658	4,6,8-Megastigmatriene 	C13H20	176.1565	NA	MeJP	NA	NA
+8035	synthetic peptide	PHT	176.5785	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc01464	pyrophosphate-group []	H3O7P2	176.9354	NA	metacyc	NA	NA
+MJ004659	2-(2-Hydroxyphenyl)thiazole 	C9H7NOS	177.024834	NA	MeJP	NA	NA
+MJ004660	2-Amino-1,1,2-ethanetricarboxylic acid 	C5H7NO6	177.027336	NA	MeJP	NA	NA
+MJ004661	1-Isothiocyanato-4-(methylsulfinyl)butane 	C6H11NOS2	177.028205	NA	MeJP	NA	NA
+HMDB05792	Sulforaphane	C6H11NOS2	177.02821	http://www.hmdb.ca/metabolites/HMDB05792	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05792	Sulforaphane	C6H11NOS2	177.02821	http://www.hmdb.ca/metabolites/HMDB05792	HMDB	NA	NA
+HMDB05792	Sulforaphane	C6H11NOS2	177.02821	http://www.hmdb.ca/metabolites/HMDB05792	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05792	Sulforaphane	C6H11NOS2	177.02821	HMDB05792	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05792	Sulforaphane	C6H11NOS2	177.028214	NA	HMDB2010	NA	NA
+HMDB06899	Alanylglycine	C5H9N2O3S	177.03339	http://www.hmdb.ca/metabolites/HMDB06899	HMDB	NA	NA
+HMDB06899	Alanylglycine	C5H9N2O3S	177.03339	HMDB06899	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0252	Ascorbic acid [M-H]- (13C)	C5[13]CH7O6	177.036025	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0252	Ascorbic acid [M-H]- (13C)	C5[13]CH7O6	177.036025	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH140	Xanthurenic acid [M+H-CO]+	NA	177.042	12.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH140	Xanthurenic acid [M+H-CO]+	NA	177.042	12.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH140	Xanthurenic acid [M+H-CO]+	NA	177.042	12.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH140	Xanthurenic acid [M+H-CO]+	NA	177.042	12.46	Inhousejuil11	NA	NA
+CJpos0424	?-hydroxyhippuric acid [(M+H)-(H2O)]+	C9H8NO3	177.042075	C18rt(min)=5.18 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0425	Xanthurenic acid [(M+H)-(CO)]+	C9H8NO3	177.042075	C18rt(min)=5.11 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0424	?-hydroxyhippuric acid [(M+H)-(H2O)]+	C9H8NO3	177.042075	C18rt(min)=5.18 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0425	Xanthurenic acid [(M+H)-(CO)]+	C9H8NO3	177.042075	C18rt(min)=5.11 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004662	4-Acetyl-2(3H)-benzoxazolone 	C9H7NO3	177.042593	NA	MeJP	NA	NA
+MJ004663	5-Methoxy-1H-indole-4,7-dione 	C9H7NO3	177.042593	NA	MeJP	NA	NA
+MJ004664	6,8-Dihydroxy-1(2H)-isoquinolinone 	C9H7NO3	177.042593	NA	MeJP	NA	NA
+MJ004665	6-Methoxy -1H-indole-4,7-dione 	C9H7NO3	177.042593	NA	MeJP	NA	NA
+MJ004666	Dermadin 	C9H7NO3	177.042593	NA	MeJP	NA	NA
+MJ004667	Isonitrinic acid E 	C9H7NO3	177.042593	NA	MeJP	NA	NA
+HMDB01015	N-Formyl-L-methionine	C6H11NO3S	177.045959	NA	HMDB2010	NA	NA
+HMDB01015	N-Formyl-L-methionine	C6H11NO3S	177.04596	http://www.hmdb.ca/metabolites/HMDB01015	HMDB	NA	NA
+HMDB01015	N-Formyl-L-methionine	C6H11NO3S	177.04596	HMDB01015	PFEM_hmdb_metabocards_official	NA	NA
+MJ004668	N-Formyl-L-methionine 	C6H11NO3S	177.045963	NA	MeJP	NA	NA
+MJ004669	Alliin; (R)C(S)S-form 	C6H11NO3S	177.045963	NA	MeJP	NA	NA
+MJ004670	Cycloalliin 	C6H11NO3S	177.045963	NA	MeJP	NA	NA
+MJ004671	Entadamide A, S-Oxide (R-) 	C6H11NO3S	177.045963	NA	MeJP	NA	NA
+MJ004672	Methionine, N-Formyl 	C6H11NO3S	177.045963	NA	MeJP	NA	NA
+MJ004673	S-(1-Propenyl)cysteine, S-Oxide 	C6H11NO3S	177.045963	NA	MeJP	NA	NA
+MetaCyc01465	N-formyl-L-methionine [fMet;N-formyl-methionine;formylmethionine;]	C6H11N1O3S1	177.045964	4289-98-9	metacyc	NA	NA
+C03145	N-Formyl-L-methionine	C6H11NO3S	177.046	NA	KEGG	NA	NA
+C08265	Alliin	C6H11NO3S	177.046	NA	KEGG	NA	NA
+C08295	S-[(E)-Prop-1-enyl]-L-cysteine S-oxide	C6H11NO3S	177.046	NA	KEGG	NA	NA
+CJneg0253	N-Formylmethionine [(M-H)]-	C6H10NO3S	177.046525	C18rt(min)=5.13 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0254	N-Formylmethionine isomer [(M-H)]-	C6H10NO3S	177.046525	C18rt(min)=4.64 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0253	N-Formylmethionine [(M-H)]-	C6H10NO3S	177.046525	C18rt(min)=5.13 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0254	N-Formylmethionine isomer [(M-H)]-	C6H10NO3S	177.046525	C18rt(min)=4.64 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH049	Histidine [M+Na]+	NA	177.0497	1.03	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH049	Histidine [M+Na]+	NA	177.0497	1.03	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH049	Histidine [M+Na]+	NA	177.0497	1.03	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH049	Histidine [M+Na]+	NA	177.0497	1.03	Inhousejuil11	NA	NA
+CJpos0426	Histidine (and isomer) [M+Na]+	C6H9O2N3Na	177.050875	C18rt(min)=0.83 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0426	Histidine (and isomer) [M+Na]+	C6H9O2N3Na	177.050875	C18rt(min)=0.83 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ004674	1-Isothiocyanato-3-phenylpropane 	C10H11NS	177.06122	NA	MeJP	NA	NA
+C06034	4-Hydroxy-4-methylglutamate	C6H11NO5	177.0637	NA	KEGG	NA	NA
+C17576	3-Keto-scyllo-inosamine	C6H11NO5	177.0637	NA	KEGG	NA	NA
+MJ004675	2,2'-Iminobispropanoic acid, N-Hydroxy 	C6H11NO5	177.063722	NA	MeJP	NA	NA
+MJ004676	2-Amino-3-hydroxy-4-methylpentanedioic acid 	C6H11NO5	177.063722	NA	MeJP	NA	NA
+MJ004677	2-Amino-4-hydroxy-4-methylpentanedioic acid 	C6H11NO5	177.063722	NA	MeJP	NA	NA
+MJ004678	3,4,5-Trihydroxy-2-piperidinecarboxylic acid 	C6H11NO5	177.063722	NA	MeJP	NA	NA
+MJ004679	3-Amino-3,4-dideoxy-xylo-hexuronic acid 	C6H11NO5	177.063722	NA	MeJP	NA	NA
+MJ004680	4-Hydroxy-4-methylglutamate 	C6H11NO5	177.063722	NA	MeJP	NA	NA
+CJneg0255	2-isopropylmalic acid [(M-H)]- (13C)	C613CH11O5	177.072425	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0256	3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (13C)	C613CH11O5	177.072425	C18rt(min)=5.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0257	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (13C)	C613CH11O5	177.072425	C18rt(min)=5.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0255	2-isopropylmalic acid [(M-H)]- (13C)	C613CH11O5	177.072425	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0256	3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (13C)	C613CH11O5	177.072425	C18rt(min)=5.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0257	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (13C)	C613CH11O5	177.072425	C18rt(min)=5.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB12271	O-Ureidohomoserine	C5H11N3O4	177.074951	NA	HMDB2010	NA	NA
+MetaCyc01466	O-ureidohomoserine []	C5H11N3O4	177.074956	NA	metacyc	NA	NA
+MJ004681	2-(4-Hydroxyphenyl)ethenamine; N-Ac 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004682	3-(2-Methylphenyl)-3-oxopropanamide 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004683	5-(3-Butenyl)-2-pyridinecarboxylic acid 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004684	5-Hydroxy-3-(2-hydroxyethyl)indole 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004685	Boschniakinic acid 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004686	Euphrosine 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004687	N-[2-(4-Hydroxyphenyl)ethenyl]formamide; Me ether 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+MJ004688	Pedicularidine; Carboxylic acid 	C10H11NO2	177.078978	NA	MeJP	NA	NA
+HMDB01855	5-Hydroxytryptophol	C10H11NO2	177.078979	NA	HMDB2010	NA	NA
+MetaCyc01467	indole-3-glycol []	C10H11N1O2	177.078979	NA	metacyc	NA	NA
+HMDB01855	5-Hydroxytryptophol	C10H11NO2	177.07898	http://www.hmdb.ca/metabolites/HMDB01855	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01855	5-Hydroxytryptophol	C10H11NO2	177.07898	http://www.hmdb.ca/metabolites/HMDB01855	HMDB	NA	NA
+HMDB01855	5-Hydroxytryptophol	C10H11NO2	177.07898	http://www.hmdb.ca/metabolites/HMDB01855	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01855	5-Hydroxytryptophol	C10H11NO2	177.07898	HMDB01855	PFEM_hmdb_metabocards_official	NA	NA
+C17217	Dihomomethionine	C7H15NO2S	177.0823	NA	KEGG	NA	NA
+C16452	N'-Nitrosonornicotine	C9H11N3O	177.0902	NA	KEGG	NA	NA
+MJ004689	N-(4-Chlorobutyl)butanamide 	C8H16ClNO	177.092041	NA	MeJP	NA	NA
+7793	Antioxidant peptide derived from egg ovalbumin	AHK	177.0945	MH2+	Inhouse_peptide	NA	peptide
+C16994	Anthopleurine	C7H15NO4	177.1001	NA	KEGG	NA	NA
+MJ004690	2-(2-Hydroxyethyl)-5-(hydroxymethyl)-3,4-pyrrolidinediol 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MJ004691	2-(Hydroxymethyl)-3,4,5-piperidinetriol, N-Me 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MJ004692	2-Amino-4,5-dihydroxy-3,4-dimethylpentanoic acid 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MJ004693	3-Deoxy-3-(methylamino)arabinose; ?-L-Pyranose-form, Me glycoside 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MJ004694	4-Amino-2,3-dihydroxybutanoic acid, N,N,N-Tri-Me, betaine 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MJ004695	4-Amino-6-hydroxymethyl-1,2,3-cyclohexanetriol 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MJ004696	Garosamine 	C7H15NO4	177.100107	NA	MeJP	NA	NA
+MetaCyc01468	validamine [1D-1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-chiro-inositol;]	C7H15N1O4	177.100108	32780-32-8	metacyc	NA	NA
+MJ004697	1,2,3,4-Tetrahydro-ar-methoxy-1-methylisoquinoline 	C11H15NO	177.115364	NA	MeJP	NA	NA
+MJ004698	3-Methyl-2-phenylmorpholine 	C11H15NO	177.115364	NA	MeJP	NA	NA
+MJ004699	4-Amino-1-phenyl-1-penten-3-ol 	C11H15NO	177.115364	NA	MeJP	NA	NA
+MJ004700	Metamfepramone 	C11H15NO	177.115364	NA	MeJP	NA	NA
+MJ004701	Valerianine 	C11H15NO	177.115364	NA	MeJP	NA	NA
+C07432	Phenmetrazine	C11H15NO	177.1154	NA	KEGG	NA	NA
+C09991	Valerianine	C11H15NO	177.1154	NA	KEGG	NA	NA
+MJ004702	1-Benzyl-2,3-dimethylguanidine 	C10H15N3	177.126597	NA	MeJP	NA	NA
+MJ004703	2-Methyl-3-(1-piperidinyl)pyrazine 	C10H15N3	177.126597	NA	MeJP	NA	NA
+MetaCyc01469	nicotine isomethonium ion [N-methylnicotinium ion;]	C11H17N2	177.139174	NA	metacyc	NA	NA
+HMDB01009	N-Methylnicotinium	C11H17N2	177.139175	NA	HMDB2010	NA	NA
+HMDB01009	N-Methylnicotinium	C11H17N2	177.13918	http://www.hmdb.ca/metabolites/HMDB01009	HMDB	NA	NA
+HMDB01009	N-Methylnicotinium	C11H17N2	177.13918	HMDB01009	PFEM_hmdb_metabocards_official	NA	NA
+8000	synthetic peptide	LHS	177.587	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc01470	Fe2S2 iron-sulfur cluster [iron-sulfur center;2Fe-2S iron-sulfur cluster;2Fe-2S center;2Fe-2S cluster;2Fe-2S;Fe2S2;iron(2+) cation; iron; sulfanide;Fe2S2 iron-sulfur center;]	H2S2FE2	177.829676	NA	metacyc	NA	NA
+MJ004704	4,5-Dichloro-2,2-difluoro-1,3-dioxolane 	C3H2Cl2F2O2	177.939991	NA	MeJP	NA	NA
+C00013	Diphosphate	P2H4O7	177.9432	NA	KEGG	NA	NA
+MJ004705	Pyrophosphate 	H4O7P2	177.943225	NA	MeJP	NA	NA
+MetaCyc01471	diphosphate [PPi;PP;pyrophosphate;]	H4O7P2	177.943226	09/03/2466	metacyc	NA	NA
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	http://www.hmdb.ca/metabolites/HMDB00250	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	http://www.hmdb.ca/metabolites/HMDB00250	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	http://www.hmdb.ca/metabolites/HMDB00250	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	http://www.hmdb.ca/metabolites/HMDB00250	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	http://www.hmdb.ca/metabolites/HMDB00250	HMDB	NA	NA
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	http://www.hmdb.ca/metabolites/HMDB00250	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00250	Pyrophosphate	H4O7P2	177.94324	HMDB00250	PFEM_hmdb_metabocards_official	NA	NA
+C02933	3,5-Dichlorocatechol	C6H4Cl2O2	177.9588	NA	KEGG	NA	NA
+C06600	2,5-Dichlorohydroquinone	C6H4Cl2O2	177.9588	NA	KEGG	NA	NA
+C07094	3,6-Dichlorocatechol	C6H4Cl2O2	177.9588	NA	KEGG	NA	NA
+C07097	2,6-Dichlorohydroquinone	C6H4Cl2O2	177.9588	NA	KEGG	NA	NA
+MJ004706	2,5-Dichlorohydroquinone 	C6H4Cl2O2	177.958834	NA	MeJP	NA	NA
+MJ004707	2,6-Dichlorohydroquinone 	C6H4Cl2O2	177.958834	NA	MeJP	NA	NA
+MJ004708	3,5-Dichlorocatechol 	C6H4Cl2O2	177.958834	NA	MeJP	NA	NA
+MJ004709	3,6-Dichlorocatechol 	C6H4Cl2O2	177.958834	NA	MeJP	NA	NA
+MetaCyc01472	2,6-dichloro-p-hydroquinone [2,6-DiCH;DiCH;]	C6H4O2CL2	177.958835	NA	metacyc	NA	NA
+MetaCyc01473	2,5-dichlorohydroquinone [2,5-DCHQ;]	C6H4O2CL2	177.958835	824-69-1	metacyc	NA	NA
+MetaCyc01474	3,6-dichlorocatechol [3,6-Dichloro-1,2-benzenediol;3,6-Dichloro-1,2-dihydroxybenzene;3,6-Dichloropyrocatechol;Pyrocatechol;]	C6H4O2CL2	177.958835	NA	metacyc	NA	NA
+MetaCyc01475	3,5-dichlorocatechol []	C6H4O2CL2	177.958835	13673-92-2	metacyc	NA	NA
+EUR651	Selenomethionine [M+H-H2O]+	NA	177.973775	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR651	Selenomethionine [M+H-H2O]+	NA	177.973775	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR651	Selenomethionine [M+H-H2O]+	NA	177.973775	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR651	Selenomethionine [M+H-H2O]+	NA	177.973775	1.31	Inhousejuil11	NA	NA
+MJ004710	1-Chloro-1,2,2,3-tetrafluoro-3-methoxycyclopropane 	C4H3ClF4O	177.980855	NA	MeJP	NA	NA
+MJ004711	Di-2-propenyl trisulfide 	C6H10S3	177.994462	NA	MeJP	NA	NA
+C11582	2-Chlorophenylhydrazine hydrochloride	C6H7ClN2	178.0065	NA	KEGG	NA	NA
+MJ004712	Acivicin 	C5H7ClN2O3	178.014519	NA	MeJP	NA	NA
+C03093	7,8-Dihydroxycoumarin	C9H6O4	178.0266	NA	KEGG	NA	NA
+C03094	Acylaminoacyl-peptide	C9H6O4	178.0266	NA	KEGG	NA	NA
+C03095	N-Aminoacyl-L-histidine	C7H8N3O3R	178.0266	NA	KEGG	NA	NA
+C09001	5,7-Dihydroxychromone	C9H6O4	178.0266	NA	KEGG	NA	NA
+C09263	Esculetin	C9H6O4	178.0266	NA	KEGG	NA	NA
+C16828	Caffeoquinone	C9H6O4	178.0266	NA	KEGG	NA	NA
+MJ004713	3,7-Dihydroxy-2H-1-benzopyran-2-one 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004714	4,7-Dihydroxy-2H-1-benzopyran-2-one 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004715	5,7-Dihydroxy-2H-1-benzopyran-2-one 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004716	5,7-Dihydroxy-4H-1-benzopyran-4-one 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004717	6,7-Dihydroxy-2H-1-benzopyran-2-one 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004718	6,7-Methylenedioxyphthalide 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004719	7,8-Dihydroxy-2H-1-benzopyran-2-one 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MJ004720	Caffeoquinone 	C9H6O4	178.026608	NA	MeJP	NA	NA
+MetaCyc01476	7,8-dihydroxycoumarin []	C9H6O4	178.026609	486-35-1	metacyc	NA	NA
+C15415	1-Phenyl-5-mercaptotetrazole	C7H6N4S	178.0313	NA	KEGG	NA	NA
+C01419	Cys-Gly	C5H10N2O3S	178.0412	NA	KEGG	NA	NA
+PJ000024	GC 	C5H10N2O3S	178.0412	NA	PeJP	NA	NA
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	http://www.hmdb.ca/metabolites/HMDB00078	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	http://www.hmdb.ca/metabolites/HMDB00078	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	http://www.hmdb.ca/metabolites/HMDB00078	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	http://www.hmdb.ca/metabolites/HMDB00078	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	http://www.hmdb.ca/metabolites/HMDB00078	HMDB	NA	NA
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	NA  ;SYN:(+)-pyridinoline; 1-(2S)-(+)-pyridinoline; 4-((2S)-2-amino-2-carboxyethyl)-1-((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)-3-((3S)-3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium inner salt; Hydroxylysylpyridinoline; PyridinolineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	http://www.hmdb.ca/metabolites/HMDB00078	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.04121	HMDB00078	PFEM_hmdb_metabocards_official	NA	NA
+MJ004721	Cys-Gly 	C5H10N2O3S	178.041212	NA	MeJP	NA	NA
+MetaCyc01477	Cys-Gly []	C5H10N2O3S1	178.041213	NA	metacyc	NA	NA
+HMDB00078	Cysteinylglycine	C5H10N2O3S	178.041214	NA	HMDB2010	NA	NA
+MJ004722	1-Tridecene-3,5,7,9,11-pentayne; 1,2S-Epoxide 	C13H6O	178.041864	NA	MeJP	NA	NA
+MJ004723	2,12-Tridecadiene-4,6,8,10-tetrayn-1-ol; Aldehyde 	C13H6O	178.041864	NA	MeJP	NA	NA
+C00198	D-Glucono-1,5-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C00204	2-Dehydro-3-deoxy-D-gluconate	C6H10O6	178.0477	NA	KEGG	NA	NA
+C00205	hn	C6H10O6	178.0477	NA	KEGG	NA	NA
+C00273	5-Dehydro-D-fructose	C6H10O6	178.0477	NA	KEGG	NA	NA
+C00691	2,4,6/3,5-Pentahydroxycyclohexanone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C01040	L-Gulono-1,4-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C01115	L-Galactono-1,4-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C01117	Nucleoside 5'-phosphate	C5H10O7PR	178.0477	NA	KEGG	NA	NA
+C01216	2-Dehydro-3-deoxy-D-galactonate	C6H10O6	178.0477	NA	KEGG	NA	NA
+C02669	D-Galactono-1,5-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C02692	Hexose-1,5-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C02779	2-Dehydro-D-glucose	C6H10O6	178.0477	NA	KEGG	NA	NA
+C03107	D-Glucono-1,4-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C03269	D-galacto-Hexodialdose	C6H10O6	178.0477	NA	KEGG	NA	NA
+C03272	Globoside	C45H79N2O23R	178.0477	NA	KEGG	NA	NA
+C03383	D-Galactono-1,4-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C03926	3-Dehydro-2-deoxy-D-gluconate	C6H10O6	178.0477	NA	KEGG	NA	NA
+C03932	5-Dehydro-2-deoxy-D-gluconate	C6H10O6	178.0477	NA	KEGG	NA	NA
+C03933	5-D-Glutamyl-D-glutamyl-peptide	C10H16N3O6R	178.0477	NA	KEGG	NA	NA
+C05394	3-Keto-beta-D-galactose	C6H10O6	178.0477	NA	KEGG	NA	NA
+C05410	Gulono-1,4-lactone	C6H10O6	178.0477	NA	KEGG	NA	NA
+C06892	2-Deoxy-5-keto-D-gluconic acid	C6H10O6	178.0477	NA	KEGG	NA	NA
+C16737	5-Deoxy glucuronic acid	C6H10O6	178.0477	NA	KEGG	NA	NA
+C16738	Sulfuric monoester	HSO4R	178.0477	NA	KEGG	NA	NA
+C16739	L-Arginyl-protein	C8H16N5O3R	178.0477	NA	KEGG	NA	NA
+C16740	Procollagen L-lysine	C7H13N3O2R2	178.0477	NA	KEGG	NA	NA
+C17577	myo-Inosose-5	C6H10O6	178.0477	NA	KEGG	NA	NA
+MJ004724	1,4-Gluconolactone 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004725	Aceric acid 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004726	myo-Inosose 2 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004727	ribo-Hexos-3-ulose 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004728	2,4,6/3,5-Pentahydroxycyclohexanone 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004729	D-Glucono-1,5-lactone 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004730	L-Galactono-1,4-lactone 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004731	L-Gulono-1,4-lactone 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004732	2-Dehydro-3-deoxy-D-gluconate 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004733	2-Dehydro-D-glucose 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004734	2-Deoxy-5-keto-D-gluconic acid 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MJ004735	3-Keto-beta-D-galactose 	C6H10O6	178.047738	NA	MeJP	NA	NA
+MetaCyc01478	L-gulono-1,4-lactone [L-gulonolactone;gulonolactone;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01479	glucono-&delta;-lactone [1,5-Gluconolactone;D-Gluconolactone;D-glucono-1,5-lactone;&delta;-gluconolactone;D-glucono-&delta;-lactone;Gluconic lactone;Gluconic acid lactone;]	C6H10O6	178.047738	90-80-2	metacyc	NA	NA
+MetaCyc01480	3-dehydro-2-deoxy-D-gluconate [3-dehydro-2-deoxy-gluconate;de-O-K-gluconate;2-deoxy-3-ketogluconate;2-deoxy-3-oxogluconate;deoxy-ketogluconate;2-deoxy-3-dehydro-D-gluconate;]	C6H10O6	178.047738	91446-99-0	metacyc	NA	NA
+MetaCyc01481	D-galactono-1,4-lactone [D-galactonolactone;D-galactono-&gamma;-lactone;D-galactonic acid &gamma;-lactone;&gamma;-D-galactonolactone;D-(-)-galactonic acid &gamma;-lactone;]	C6H10O6	178.047738	07/02/2782	metacyc	NA	NA
+MetaCyc01482	D-aldonolactone []	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01483	5-dehydro-2-deoxy-D-gluconate [2-deoxy-5-keto-D-gluconate;2-deoxy-5-keto-D-gluconic acid;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01484	glucono-1,5-lactone [D-glucono-1,5-lactone;gluconolactone;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01485	5-dehydro-D-fructose []	C6H10O6	178.047738	1684-29-3	metacyc	NA	NA
+MetaCyc01486	L-galactono-1,4-lactone [L-galactono-&gamma;-lactone;]	C6H10O6	178.047738	1668-08-2	metacyc	NA	NA
+MetaCyc01487	2-dehydro-D-glucose []	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01488	D-galacto-hexodialdose []	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01489	3-keto-&beta;-D-galactose [3-dehydro-&beta;-D-galactose;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01490	2-dehydro-3-deoxy-D-gluconate [2-keto-3-deoxy-D-gluconate;3-deoxy-2-oxo-D-gluconate;2-keto-3-deoxygluconate;]	C6H10O6	178.047738	17510-99-5	metacyc	NA	NA
+MetaCyc01491	2-dehydro-3-deoxy-D-galactonate [2-keto-3-deoxy-D-galactonate;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01492	2-keto-myo-inositol [Scyllo-inosine;2,4,6/3,5-Pentahydroxycyclohexanone;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01493	myo-inosose [myo-inosose-2;myo-2-inosose;inosose;myo-Inosose;]	C6H10O6	178.047738	488-64-2	metacyc	NA	NA
+MetaCyc01494	glucono-&gamma;-lactone [gluconic-acid-&gamma;-lactone;gluconate-&gamma;-lactone;L-glucono-1,4-lactone;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+MetaCyc01495	3-dehydro-&alpha;-D-glucose [3-keto-&alpha;-D-glucose;3-dehydro-&alpha;-glucose;]	C6H10O6	178.047738	NA	metacyc	NA	NA
+HMDB00150	Gluconolactone	C6H10O6	178.04774	http://www.hmdb.ca/metabolites/HMDB00150	HMDB	NA	NA
+HMDB01353	2-Keto-3-deoxy-D-gluconic acid	C6H10O6	178.04774	http://www.hmdb.ca/metabolites/HMDB01353	HMDB	NA	NA
+HMDB01385	3-Keto-b-D-galactose	C6H10O6	178.04774	http://www.hmdb.ca/metabolites/HMDB01385	HMDB	NA	NA
+HMDB02541	Galactonolactone	C6H10O6	178.04774	http://www.hmdb.ca/metabolites/HMDB02541	HMDB	NA	NA
+HMDB03466	L-Gulonolactone	C6H10O6	178.04774	http://www.hmdb.ca/metabolites/HMDB03466	HMDB	NA	NA
+HMDB00150	Gluconolactone	C6H10O6	178.04774	HMDB00150	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01353	2-Keto-3-deoxy-D-gluconic acid	C6H10O6	178.04774	HMDB01353	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01385	3-Keto-b-D-galactose	C6H10O6	178.04774	HMDB01385	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02541	Galactonolactone	C6H10O6	178.04774	HMDB02541	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03466	L-Gulonolactone	C6H10O6	178.04774	HMDB03466	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00150	Gluconolactone	C6H10O6	178.047745	NA	HMDB2010	NA	NA
+HMDB01353	2-Keto-3-deoxy-D-gluconic acid	C6H10O6	178.047745	NA	HMDB2010	NA	NA
+HMDB01385	3-Keto-b-D-galactose	C6H10O6	178.047745	NA	HMDB2010	NA	NA
+HMDB02541	Galactonolactone	C6H10O6	178.047745	NA	HMDB2010	NA	NA
+HMDB03466	L-Gulonolactone	C6H10O6	178.047745	NA	HMDB2010	NA	NA
+CJneg0258	Gluconic acid (and isomers) [(M-H)-(H2O)]-	C6H9O6	178.048325	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0258	Gluconic acid (and isomers) [(M-H)-(H2O)]-	C6H9O6	178.048325	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004736	3-Amino-1,2,4-benzotriazine; 1,4-Dioxide 	C7H6N4O2	178.049075	NA	MeJP	NA	NA
+MJ004737	Ciapilome 	C7H6N4O2	178.049075	NA	MeJP	NA	NA
+MJ004738	Melizame 	C7H6N4O2	178.049075	NA	MeJP	NA	NA
+MetaCyc01496	N-acetylanthranilate [2-(acetylamino)-benzoate;]	C9H8N1O3	178.050418	89-52-1	metacyc	NA	NA
+MJ004739	2(1H)-Benzimidazolinethione; SH-form, S-Et 	C9H10N2S	178.056469	NA	MeJP	NA	NA
+MJ004740	3-Amino-1,2-benzisothiazole; N-Et 	C9H10N2S	178.056469	NA	MeJP	NA	NA
+JH127	Hydroferulic acid [M+H-H20]+	NA	178.06246	12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH127	Hydroferulic acid [M+H-H20]+	NA	178.06246	12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH127	Hydroferulic acid [M+H-H20]+	NA	178.06246	12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH127	Hydroferulic acid [M+H-H20]+	NA	178.06246	12.75	Inhousejuil11	NA	NA
+HMDB02040	4-Methoxycinnamic acid	C10H10O3	178.062988	NA	HMDB2010	NA	NA
+HMDB02040	4-Methoxycinnamic acid	C10H10O3	178.06299	http://www.hmdb.ca/metabolites/HMDB02040	HMDB	NA	NA
+HMDB02040	4-Methoxycinnamic acid	C10H10O3	178.06299	HMDB02040	PFEM_hmdb_metabocards_official	NA	NA
+MJ004741	1-(3,4-Dihydroxyphenyl)-1-propanone; Methylene ether 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004742	10-Hydroxy-2-decene-4,6-diynoic acid 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004743	10-Hydroxy-8-decene-4,6-diynoic acid 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004744	2,3-Dihydro-5-hydroxy-2-methyl-4H-1-benzopyran-4-one 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004745	2,4-Diacetylphenol 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004746	3,4-Dihydro-3,8-dihydroxy-1(2H)-naphthalenone 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004747	3,4-Dihydro-8-hydroxy-3-methyl-2H-1-benzopyran-2-one 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004748	3-(3-Hydroxy-4-methoxyphenyl)-2-propenal 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004749	3-(4-Hydroxyphenyl)-2-propenoic acid, Me ester 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004750	3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004751	3-Ethyl-7-hydroxy-1(3H)-isobenzofuranone 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004752	3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 3'-Oxo 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004753	4H-1-Benzopyran-6,7-diol; 6-Me ether 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004754	5-Acetyl-2-hydroxybenzaldehyde; Me ether 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004755	7-Hydroxy-4,6-dimethyl-1(3H)-isobenzofuranone 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004756	8-Hydroxy-2-decene-4,6-diynoic acid 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004757	9-Oxo-2,4,5,7-decatetraenoic acid 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004758	Coniferaldehyde 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004759	Isosclerone 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004760	Mellein 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004761	Sclerone 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004762	?-Dolabrinol 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MJ004763	Coniferyl aldehyde 	C10H10O3	178.062994	NA	MeJP	NA	NA
+MetaCyc01497	coniferyl aldehyde [4-hydroxy-3-methoxycinnamaldehyde;4-hydroxy-3-methoxycinnamic aldehyde;coniferaldehyde;]	C10H10O3	178.062994	458-36-6	metacyc	NA	NA
+C01624	Vermelone	C10H10O3	178.063	NA	KEGG	NA	NA
+C02666	Coniferyl aldehyde	C10H10O3	178.063	NA	KEGG	NA	NA
+C02667	Coproporphyrinogen	C10H10O3	178.063	NA	KEGG	NA	NA
+C10667	3-Acetyl-6-methoxybenzaldehyde	C10H10O3	178.063	NA	KEGG	NA	NA
+C14784	1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene	C10H10O3	178.063	NA	KEGG	NA	NA
+MJ004764	4-Dimethylsulfonio 2-methoxybutanoate 	C7H14O3S	178.066365	NA	MeJP	NA	NA
+MJ004765	5-Dimethylsulfonio 3-hydroxypentanoate 	C7H14O3S	178.066365	NA	MeJP	NA	NA
+CJneg0259	2-isopropylmalic acid [(M-H)]- (18O)	C7H11O418O	178.073225	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0260	3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (18O)	C7H11O418O	178.073225	C18rt(min)=5.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0261	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (18O)	C7H11O418O	178.073225	C18rt(min)=5.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0259	2-isopropylmalic acid [(M-H)]- (18O)	C7H11O418O	178.073225	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0260	3-methyl-2-oxovaleric acid [(M-H)+(HCOOH)]- (18O)	C7H11O418O	178.073225	C18rt(min)=5.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0261	4-methyl-2-oxovaleric acid (ketoleucine) [(M-H)+(HCOOH)]- (18O)	C7H11O418O	178.073225	C18rt(min)=5.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07428	Phenacemide	C9H10N2O2	178.0742	NA	KEGG	NA	NA
+MJ004766	(Phenylacetyl)urea 	C9H10N2O2	178.074227	NA	MeJP	NA	NA
+MJ004767	2-Acetamidobenzoic acid; Amide 	C9H10N2O2	178.074227	NA	MeJP	NA	NA
+MetaCyc01498	4-oxo-4-(3-pyridyl)-butanamide [4-(3-pyridyl)-4-oxobutyramide;]	C9H10N2O2	178.074228	NA	metacyc	NA	NA
+HMDB01267	4-Oxo-4-(3-pyridyl)-butanamide	C9H10N2O2	178.07423	http://www.hmdb.ca/metabolites/HMDB01267	HMDB	NA	NA
+HMDB04145	BOX B	C9H10N2O2	178.07423	http://www.hmdb.ca/metabolites/HMDB04145	HMDB	NA	NA
+HMDB04146	BOX A	C9H10N2O2	178.07423	http://www.hmdb.ca/metabolites/HMDB04146	HMDB	NA	NA
+HMDB01267	4-Oxo-4-(3-pyridyl)-butanamide	C9H10N2O2	178.07423	HMDB01267	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04145	BOX B	C9H10N2O2	178.07423	HMDB04145	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04146	BOX A	C9H10N2O2	178.07423	HMDB04146	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01267	4-Oxo-4-(3-pyridyl)-butanamide	C9H10N2O2	178.074234	NA	HMDB2010	NA	NA
+HMDB04145	BOX B	C9H10N2O2	178.074234	NA	HMDB2010	NA	NA
+HMDB04146	BOX A	C9H10N2O2	178.074234	NA	HMDB2010	NA	NA
+MJ004768	2,12-Tetradecadiene-4,6,8,10-tetrayne 	C14H10	178.07825	NA	MeJP	NA	NA
+MJ004769	Phenanthrene 	C14H10	178.07825	NA	MeJP	NA	NA
+MetaCyc01499	phenanthrene-ring []	C14H10	178.07825	NA	metacyc	NA	NA
+C11422	Phenanthrene	C14H10	178.0783	NA	KEGG	NA	NA
+C14315	Anthracene	C14H10	178.0783	NA	KEGG	NA	NA
+C08235	beta-D-Digitalopyranose	C7H14O5	178.0841	NA	KEGG	NA	NA
+C16287	D-Thevetose	C7H14O5	178.0841	NA	KEGG	NA	NA
+MJ004770	2-Deoxy-arabino-hexose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004771	2-O-Methylxylose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004772	5-(Hydroxymethyl)-1,2,3,4-cyclohexanetetrol 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004773	5-(Hydroxymethyl)-1,2,3,4-cyclopentanetetrol; 2-Me ether 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004774	5-Deoxy-3-C-hydroxymethyllyxose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004775	6-Deoxy-3-C-methylgulose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004776	6-Deoxy-3-C-methylmannose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004777	6-Deoxy-3-O-methylaltrose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004778	6-Deoxy-3-O-methylgalactose 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004779	6-Deoxyallose, 2-Me 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004780	6-Deoxyallose, 3-Me 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004781	6-Deoxyaltrose, 4-Me 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004782	6-Deoxytalose, 3-Me 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004783	Fucose, 2-Me 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004784	Rhamnose, 2-Me 	C7H14O5	178.084123	NA	MeJP	NA	NA
+MJ004785	Bis(1-methylpropyl) disulfide 	C8H18S2	178.084991	NA	MeJP	NA	NA
+MJ004786	Dibutyl disulfide 	C8H18S2	178.084991	NA	MeJP	NA	NA
+MJ004787	2,3-Diamino-2,3-dideoxyglucose; ?-D-Pyranose-form 	C6H14N2O4	178.095356	NA	MeJP	NA	NA
+MJ004788	2,6-Diamino-2,6-dideoxyglucose 	C6H14N2O4	178.095356	NA	MeJP	NA	NA
+MJ004789	4,6-Diamino-1,2,3,5-cyclohexanetetrol 	C6H14N2O4	178.095356	NA	MeJP	NA	NA
+C01854	Streptamine	C6H14N2O4	178.0954	NA	KEGG	NA	NA
+C17574	2-epi-Streptamine	C6H14N2O4	178.0954	NA	KEGG	NA	NA
+3542	ACE inhibitor	LQP	178.097	MH2+	Inhouse_peptide	NA	peptide
+7822	ACE inhibitor from micro algae	IAPG	178.097	MH2+	Inhouse_peptide	NA	peptide
+8184	ACE Inhibitor	IQP	178.097	MH2+	Inhouse_peptide	NA	peptide
+MJ004790	1-Butyl-3,4-methylenedioxybenzene 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004791	2,6-Decadien-4-ynoic acid, Me ester 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004792	2-(3-Methyl-2-butenyl)-1,4-benzenediol 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004793	2-Methylpropanoic acid; Benzyl ester 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004794	3-(2-Hydroxy-4-methylphenyl)-2-butanone 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004795	3-(4-Hydroxyphenyl)-2-propen-1-ol, Di-Me ether 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004796	4,6-Decadiynoic acid; Me ester 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004797	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004798	4-(1,2-Dimethyl-2-propenyl)-1,3-benzenediol 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004799	4-(1-Propenyl)-1,2-benzenediol, Di-Me ether 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004800	4-(2-Propenyl)-1,2-benzenediol; 2-Et ether 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004801	4-(2-Propenyl)-1,2-benzenediol; Di-Me ether 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004802	4-(2-Propenyl)-1,3-benzenediol; Di-Me ether 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004803	4-(4-Hydroxyphenyl)-2-butanone; Me ether 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004804	5,5-Dimethyl-1,3,6-cycloheptatriene-1-carboxylic acid; Me ester 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004805	Actinidiolide 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004806	Andirolactone 	C11H14O2	178.099379	NA	MeJP	NA	NA
+MJ004807	Pyrethrolone 	C11H14O2	178.099379	NA	MeJP	NA	NA
+HMDB02043	5-Phenylvaleric acid	C11H14O2	178.09938	http://www.hmdb.ca/metabolites/HMDB02043	HMDB	NA	NA
+MetaCyc01500	isomethyleugenol []	C11H14O2	178.09938	NA	metacyc	NA	NA
+MetaCyc01501	methyleugenol []	C11H14O2	178.09938	NA	metacyc	NA	NA
+HMDB02043	5-Phenylvaleric acid	C11H14O2	178.09938	HMDB02043	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02043	5-Phenylvaleric acid	C11H14O2	178.09938	NA	HMDB2010	NA	NA
+C10454	Eugenol methyl ether	C11H14O2	178.0994	NA	KEGG	NA	NA
+C10478	Methylisoeugenol	C11H14O2	178.0994	NA	KEGG	NA	NA
+C14535	4-t-Butylbenzoic acid	C11H14O2	178.0994	NA	KEGG	NA	NA
+C14709	1,1-Dimethylethyl benzoate	C11H14O2	178.0994	NA	KEGG	NA	NA
+C17663	3-Phenylpropyl acetate	C11H14O2	178.0994	NA	KEGG	NA	NA
+C17665	2-Phenylpropyl acetate	C11H14O2	178.0994	NA	KEGG	NA	NA
+C17666	1-Phenylpropyl acetate	C11H14O2	178.0994	NA	KEGG	NA	NA
+C17782	3,5-Dimethoxyallylbenzene	C11H14O2	178.0994	NA	KEGG	NA	NA
+JH211	Hesperetin N/A	NA	178.1096	17.78	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH211	Hesperetin N/A	NA	178.1096	17.78	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH211	Hesperetin N/A	NA	178.1096	17.78	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH211	Hesperetin N/A	NA	178.1096	17.78	Inhousejuil11	NA	NA
+C01056	(S)-6-Hydroxynicotine	C10H14N2O	178.1106	NA	KEGG	NA	NA
+C01058	11beta-Hydroxysteroid	C10H14N2O	178.1106	NA	KEGG	NA	NA
+C03043	(R)-6-Hydroxynicotine	C10H14N2O	178.1106	NA	KEGG	NA	NA
+C16569	Glycinexylidide	C10H14N2O	178.1106	NA	KEGG	NA	NA
+HMDB01240	Pseudooxynicotine	C10H14N2O	178.11061	http://www.hmdb.ca/metabolites/HMDB01240	HMDB	NA	NA
+HMDB01329	2'-Hydroxynicotine	C10H14N2O	178.11061	http://www.hmdb.ca/metabolites/HMDB01329	HMDB	NA	NA
+HMDB01497	Nicotine-1'-N-oxide	C10H14N2O	178.11061	http://www.hmdb.ca/metabolites/HMDB01497	HMDB	NA	NA
+HMDB01240	Pseudooxynicotine	C10H14N2O	178.11061	HMDB01240	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01329	2'-Hydroxynicotine	C10H14N2O	178.11061	HMDB01329	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01497	Nicotine-1'-N-oxide	C10H14N2O	178.11061	HMDB01497	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01240	Pseudooxynicotine	C10H14N2O	178.110611	NA	HMDB2010	NA	NA
+HMDB01329	2'-Hydroxynicotine	C10H14N2O	178.110611	NA	HMDB2010	NA	NA
+HMDB01497	Nicotine-1'-N-oxide	C10H14N2O	178.110611	NA	HMDB2010	NA	NA
+MJ004808	5-Butyl-2-pyridinecarboxylic acid; Amide 	C10H14N2O	178.110613	NA	MeJP	NA	NA
+MJ004809	Bongardine; N-Ac 	C10H14N2O	178.110613	NA	MeJP	NA	NA
+MJ004810	N,N-Diethyl-3-pyridinecarboxamide 	C10H14N2O	178.110613	NA	MeJP	NA	NA
+MJ004811	Nicotine, 1'-N-Oxide 	C10H14N2O	178.110613	NA	MeJP	NA	NA
+MetaCyc01502	(R)-6-hydroxynicotine [(D)-6-hydroxynicotine;]	C10H14N2O1	178.110613	NA	metacyc	NA	NA
+MetaCyc01503	4-(methylamino)-1-(3-pyridyl)-1-butanone [pseudooxynicotine;1-butanone, 4-(methylamino)-1-(3-pyridinyl)-;]	C10H14N2O1	178.110613	NA	metacyc	NA	NA
+MetaCyc01504	2'-hydroxynicotine []	C10H14N2O1	178.110613	NA	metacyc	NA	NA
+MetaCyc01505	nicotine-1'-N-oxide [nicotine N'-oxide;]	C10H14N2O1	178.110613	NA	metacyc	NA	NA
+MetaCyc01506	L-6-hydroxynicotine [(S)-6-hydroxynicotine;]	C10H14N2O1	178.110613	NA	metacyc	NA	NA
+3349	ACE inhibitor	IKP	178.115	MH2+	Inhouse_peptide	NA	peptide
+7549	ACE inhibitor	LKP	178.115	MH2+	Inhouse_peptide	NA	peptide
+8216	Antioxidative peptide	LKP	178.115	MH2+	Inhouse_peptide	NA	peptide
+38	Aldolase	LKP	178.1155	MH2+	Inhouse_peptide	NA	peptide
+MJ004812	1,2-Bis(2-methoxyethoxy)ethane 	C8H18O4	178.120509	NA	MeJP	NA	NA
+MJ004813	(4-Hydroxystyryl)trimethylammonium(1+) 	C11H16NO	178.123189	NA	MeJP	NA	NA
+MJ004814	11,12,13-Trinor-1(10)-eremophilen-7-one 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004815	11,12,13-Trinor-6,10(14)-guaiadien-4-ol 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004816	11-Methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004817	2,5-Diisopropylphenol 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004818	2,6-Diisopropylphenol 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004819	4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004820	4-(4-Methyl-3-cyclohexenyl)-3-penten-2-one 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004821	5,7-Dimethyl-2,6,8-decatrien-4-one 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004822	5-Methyl-2-pentylphenol 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004823	7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004824	Geijerone 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004825	Quinceoxepine 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004826	Tricycloekasantalol; Aldehyde 	C12H18O	178.135765	NA	MeJP	NA	NA
+MJ004827	?-Methyl-4-(2-methylpropyl)benzyl alcohol 	C12H18O	178.135765	NA	MeJP	NA	NA
+C07523	Propofol	C12H18O	178.1358	NA	KEGG	NA	NA
+C14465	4-n-Hexylphenol	C12H18O	178.1358	NA	KEGG	NA	NA
+MJ004828	2,5-Dimethyl-3-(3-methyl-2-butenyl)pyrazine; 2',3'-Dihydro 	C11H18N2	178.146998	NA	MeJP	NA	NA
+MJ004829	3,5-Dimethyl-2-pentylpyrazine 	C11H18N2	178.146998	NA	MeJP	NA	NA
+MJ004830	6-Ethyl-4-methyl-3,5,7-decatriene 	C13H22	178.17215	NA	MeJP	NA	NA
+7859	ACE inhibitor	IEP	178.589	MH2+	Inhouse_peptide	NA	peptide
+8139	synthetic peptide	PEL	178.589	MH2+	Inhouse_peptide	NA	peptide
+3356	Stimulating vasoactive substance release	LLL	178.626	MH2+	Inhouse_peptide	NA	peptide
+C11105	5-Methyl-3-isoxazolyl sulfate	C4H5NO5S	178.9888	NA	KEGG	NA	NA
+MJ004831	4-Amino-3-chloro-2-pentenedioic acid 	C5H6ClNO4	178.998535	NA	MeJP	NA	NA
+MJ004832	1-Isothiocyanato-3-(methylthio)propane; S,S-Dioxide 	C5H9NO2S2	179.007469	NA	MeJP	NA	NA
+MJ004833	5-Chloro-8-hydroxyquinoline 	C9H6ClNO	179.013791	NA	MeJP	NA	NA
+C03727	S-Carboxymethyl-L-cysteine	C5H9NO4S	179.0252	NA	KEGG	NA	NA
+C03730	Single-stranded nucleotide	C10H19O16P3R2	179.0252	NA	KEGG	NA	NA
+MJ004834	S-Carboxymethylcysteine 	C5H9NO4S	179.025228	NA	MeJP	NA	NA
+MetaCyc01507	S-carboxymethyl-D-cysteine []	C5H9N1O4S1	179.025228	NA	metacyc	NA	NA
+MetaCyc01508	S-Carboxymethyl-L-cysteine []	C5H9N1O4S1	179.025228	638-23-3	metacyc	NA	NA
+MJ004835	2-Amino-5-chloro-4-hydroxy-5-hexenoic acid 	C6H10ClNO3	179.03492	NA	MeJP	NA	NA
+MJ004836	2-Amino-5-chloro-6-hydroxy-4-hexenoic acid 	C6H10ClNO3	179.03492	NA	MeJP	NA	NA
+MJ004837	3-Hydroxybenzyl isothiocyanate; Me ether 	C9H9NOS	179.040484	NA	MeJP	NA	NA
+MJ004838	4-Hydroxybenzyl isothiocyanate; Me ether 	C9H9NOS	179.040484	NA	MeJP	NA	NA
+MJ004839	5-Phenyl-2-oxazolidinethione 	C9H9NOS	179.040484	NA	MeJP	NA	NA
+MJ004840	2-Amino-3,4-dihydroxypentanedioic acid 	C5H9NO6	179.042987	NA	MeJP	NA	NA
+C03975	2-Amino-4,7-dihydroxypteridine	C6H5N5O2	179.0443	NA	KEGG	NA	NA
+MJ004841	2-Amino-4,7-dihydroxypteridine 	C6H5N5O2	179.044324	NA	MeJP	NA	NA
+MJ004842	Reumycin 	C6H5N5O2	179.044324	NA	MeJP	NA	NA
+MJ004843	Xanthopterin 	C6H5N5O2	179.044324	NA	MeJP	NA	NA
+MetaCyc01509	2-amino-4,7-dihydroxypteridine []	C6H5N5O2	179.044324	529-69-1	metacyc	NA	NA
+HMDB00704	Isoxanthopterin	C6H5N5O2	179.044327	NA	HMDB2010	NA	NA
+HMDB00704	Isoxanthopterin	C6H5N5O2	179.04433	http://www.hmdb.ca/metabolites/HMDB00704	HMDB	NA	NA
+HMDB00704	Isoxanthopterin	C6H5N5O2	179.04433	HMDB00704	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06856	D-Glucoside	C6H11O6	179.05556	http://www.hmdb.ca/metabolites/HMDB06856	HMDB	NA	NA
+HMDB06856	D-Glucoside	C6H11O6	179.05556	HMDB06856	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0427	Caffeine [(M+H)-(CH3•)]+	C7H8N4O2	179.056375	C18rt(min)=5.58 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0427	Caffeine [(M+H)-(CH3•)]+	C7H8N4O2	179.056375	C18rt(min)=5.58 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0428	Hippuric acid [(M+H)]+	C9H10NO3	179.057675	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0428	Hippuric acid [(M+H)]+	C9H10NO3	179.057675	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR625	Hippuric acid 	[M+H]+	179.0582	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR625	Hippuric acid 	[M+H]+	179.0582	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR625	Hippuric acid 	[M+H]+	179.0582	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR625	Hippuric acid 	[M+H]+	179.0582	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C01586	Hippurate	C9H9NO3	179.0582	NA	KEGG	NA	NA
+C01587	Human IgA	C9H9NO3	179.0582	NA	KEGG	NA	NA
+C06332	N-Acetylanthranilate	C9H9NO3	179.0582	NA	KEGG	NA	NA
+C06339	2,5,6-Trihydroxy-5,6-dihydroquinoline	C9H9NO3	179.0582	NA	KEGG	NA	NA
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00714	PFEM_hmdb_metabocards_urine	NA	urine
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00714	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00714	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00714	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00714	HMDB	NA	NA
+HMDB00992	3-succinoylpyridine	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00992	HMDB	NA	NA
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	HMDB	NA	NA
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	Inhouse_PFEM	NA	NA
+LABER033	Hippuric acid 	C9H9NO3	179.05824	180.06544	Inhouse_sept12	NA	NA
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	Inhousejuil11	NA	NA
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	http://www.hmdb.ca/metabolites/HMDB00714	PFEM_hmdb_metabocards_blood	NA	blood
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER033	Hippuric acid 	C9H9NO3	179.05824	RT 15.11 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00714	Hippuric acid	C9H9NO3	179.05824	HMDB00714	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00992	3-succinoylpyridine	C9H9NO3	179.05824	HMDB00992	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00714	Hippuric acid	C9H9NO3	179.058243	NA	HMDB2010	NA	NA
+HMDB00992	3-Succinoylpyridine	C9H9NO3	179.058243	NA	HMDB2010	NA	NA
+MJ004844	2-Oxo-3-phenylpropanoic acid; Oxo-form, Oxime 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004845	4-Aminobenzoic acid; N-Ac 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004846	4-Hydroxy-8-isocyano-1-oxaspiro[4.4]non-6-en-2-one 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004847	Adrenochrome 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004848	Erbstatin 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004849	N-Acetyl-2-hydroxybenzamide 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004850	N-Benzoylglycine 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MJ004851	Hippurate 	C9H9NO3	179.058243	NA	MeJP	NA	NA
+MetaCyc01510	hippurate [Hippuric acid;N-Benzoylglycine;Benzoylaminoacetic acid;]	C9H9N1O3	179.058243	495-69-2	metacyc	NA	NA
+MetaCyc01511	4-oxo-4-(3-pyridyl)-butanoate [4-oxo-4-(3-pyridyl)-butanoic acid;3-succinoylpyridine;&gamma;-oxo-3-pyridinebutanoic acid;&gamma;-oxo-3-pyridinebutanoate;]	C9H9N1O3	179.058243	NA	metacyc	NA	NA
+MetaCyc01512	2,5,6-trihydroxy-5,6-dihydroquinoline []	C9H9N1O3	179.058243	NA	metacyc	NA	NA
+JH091	Hippuric acid [M+H]+	C9H9NO3	179.0588	10.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH091	Hippuric acid [M+H]+	C9H9NO3	179.0588	10.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH091	Hippuric acid [M+H]+	C9H9NO3	179.0588	10.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH091	Hippuric acid [M+H]+	C9H9NO3	179.0588	10.55	Inhousejuil11	NA	NA
+CJneg0262	Hippuric acid [(M-H)]-	C9H8NO3	179.058825	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0262	Hippuric acid [(M-H)]-	C9H8NO3	179.058825	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02824	Cyclohexylsulfamate	C6H13NO3S	179.0616	NA	KEGG	NA	NA
+MJ004852	4-Amino-5-(methylthio)-1,2,3-cyclopentanetriol 	C6H13NO3S	179.061613	NA	MeJP	NA	NA
+MJ004853	Cyclohexylsulfamic acid 	C6H13NO3S	179.061613	NA	MeJP	NA	NA
+MJ004854	Fudosteine 	C6H13NO3S	179.061613	NA	MeJP	NA	NA
+MJ004855	Methionine sulfoxide; (S)C(?)S-form, N-Me 	C6H13NO3S	179.061613	NA	MeJP	NA	NA
+MJ004856	S-Propylcysteine sulfoxide; (R)C(R)S-form 	C6H13NO3S	179.061613	NA	MeJP	NA	NA
+MJ004857	S-Propylcysteine sulfoxide; (R)C(S)S-form 	C6H13NO3S	179.061613	NA	MeJP	NA	NA
+MetaCyc01513	cyclohexylsulfamate [Cyclohexylsulfamic acid;Cylamic acid;Cyclohexylamide sulfate;]	C6H13N1O3S1	179.061614	100-88-9	metacyc	NA	NA
+3474	ACE inhibitor	GDAP	179.06845	MH2+	Inhouse_peptide	NA	peptide
+MJ004858	Cytallene 	C8H9N3O2	179.069476	NA	MeJP	NA	NA
+C07585	N-Acetylisoniazid	C8H9N3O2	179.0695	NA	KEGG	NA	NA
+MJ004859	Cyclohept[b]indole 	C13H9N	179.073499	NA	MeJP	NA	NA
+8042	synthetic peptide	PWG	179.076	MH2+	Inhouse_peptide	NA	peptide
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR433	Glucosamine F1	NA	179.078375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR433	Glucosamine F1	NA	179.078375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR433	Glucosamine F1	NA	179.078375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR433	Glucosamine F1	NA	179.078375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR433	Glucosamine F1	C6H13NO5	179.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ004860	1-Amino-1-deoxy-scyllo-inositol 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004861	D-Glucosamine 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004862	1-Amino-1-deoxyfructose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004863	2-Amino-2-deoxygalactose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004864	2-Amino-2-deoxyglucose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004865	2-Amino-2-deoxygulose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004866	2-Amino-2-deoxymannose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004867	2-Amino-2-deoxytalose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004868	3-Amino-3-deoxyglucose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004869	4-Amino-4-deoxyglucose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004870	5-Amino-5-deoxygalactose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004871	5-Amino-5-deoxyglucose; D-Pyranose-form 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004872	5-Amino-5-deoxymannose; D-Pyranose-form 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MJ004873	6-Amino-6-deoxyglucose 	C6H13NO5	179.079372	NA	MeJP	NA	NA
+MetaCyc01514	1-amino-1-deoxy-scyllo-inositol [scyllo-inosamine;]	C6H13N1O5	179.079373	NA	metacyc	NA	NA
+MetaCyc01515	glucosamine [2-amino-2-deoxyglucose;chitosamine;D-glucosamine;]	C6H13N1O5	179.079373	3416-24-8	metacyc	NA	NA
+MetaCyc01516	galactosamine []	C6H13N1O5	179.079373	7535-00-4	metacyc	NA	NA
+MetaCyc01517	D-mannosamine [2-amino-2-Deoxy-D-Mannose;D-mannosamine;]	C6H13N1O5	179.079373	5505-63-5	metacyc	NA	NA
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	HMDB	NA	NA
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	HMDB	NA	NA
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	Inhouse_PFEM	NA	NA
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	Inhouse_PFEM	NA	NA
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR040	Fructosamine	C6H13NO5	179.079374	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR043	Glucosamine	C6H13NO5	179.079374	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01514	Glucosamine	C6H13NO5	179.079376	NA	HMDB2010	NA	NA
+HMDB02030	Fructosamine	C6H13NO5	179.079376	NA	HMDB2010	NA	NA
+HMDB01514	Glucosamine	C6H13NO5	179.07938	http://www.hmdb.ca/metabolites/HMDB01514	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02030	Fructosamine	C6H13NO5	179.07938	http://www.hmdb.ca/metabolites/HMDB02030	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01514	Glucosamine	C6H13NO5	179.07938	http://www.hmdb.ca/metabolites/HMDB01514	HMDB	NA	NA
+HMDB02030	Fructosamine	C6H13NO5	179.07938	http://www.hmdb.ca/metabolites/HMDB02030	HMDB	NA	NA
+HMDB01514	Glucosamine	C6H13NO5	179.07938	http://www.hmdb.ca/metabolites/HMDB01514	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02030	Fructosamine	C6H13NO5	179.07938	http://www.hmdb.ca/metabolites/HMDB02030	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01514	Glucosamine	C6H13NO5	179.07938	HMDB01514	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02030	Fructosamine	C6H13NO5	179.07938	HMDB02030	PFEM_hmdb_metabocards_official	NA	NA
+EUR040	Fructosamine	C6H13NO5	179.0794	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR043	glucosamine	C6H13NO5	179.0794	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR040	Fructosamine	C6H13NO5	179.0794	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR043	glucosamine	C6H13NO5	179.0794	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR040	Fructosamine	C6H13NO5	179.0794	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR043	glucosamine	C6H13NO5	179.0794	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR040	Fructosamine	C6H13NO5	179.0794	Wishlist	Inhousejuil11	NA	NA
+EUR043	glucosamine	C6H13NO5	179.0794	Wishlist	Inhousejuil11	NA	NA
+C00329	D-Glucosamine	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C01214	1-Amino-1-deoxy-scyllo-inositol	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C02262	D-Galactosamine	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C03570	D-Mannosamine	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C06763	Nojirimycin	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C08349	beta-D-Glucosamine	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C12212	Kanosamine	C6H13NO5	179.0794	NA	KEGG	NA	NA
+C17578	neo-Inosamine-2	C6H13NO5	179.0794	NA	KEGG	NA	NA
+CJpos0429	Dimethylguanosine [(M+H)-(C5H8O4)]+	C7H10N5O	179.080175	C18rt(min)=4.71 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0429	Dimethylguanosine [(M+H)-(C5H8O4)]+	C7H10N5O	179.080175	C18rt(min)=4.71 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C16675	7-Aminomethyl-7-deazaguanine	C7H9N5O	179.0807	NA	KEGG	NA	NA
+C16676	N6-Alkylaminopurine-9-beta-D-glucoside	C11H14N5O5R	179.0807	NA	KEGG	NA	NA
+HMDB11690	7-Aminomethyl-7-carbaguanine	C7H9N5O	179.080704	NA	HMDB2010	NA	NA
+MJ004874	1,3-Dimethylguanine 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MJ004875	1,6,7,9-Tetrahydro-6-imino-1,9-dimethyl-8H-purin-8-one 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MJ004876	2-Amino-5-aminomethylpyrrolo[2,3-d]pyrimidin-4(3H)-one 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MJ004877	3-Methylguanine; 7H-form, 7-Me 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MJ004878	6-Amino-2-hydroxypurine; 1,3-Di-Me 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MJ004879	6-Amino-2-hydroxypurine; 3,7-Di-Me 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MJ004880	Herbipoline 	C7H9N5O	179.080709	NA	MeJP	NA	NA
+MetaCyc01518	7-aminomethyl-7-deazaguanine [preQ1;]	C7H9N5O1	179.08071	NA	metacyc	NA	NA
+PFEM043F1	glucosamine	F1	179.0816	NA	Inhouse_original	NA	NA
+C07591	Phenacetin	C10H13NO2	179.0946	NA	KEGG	NA	NA
+C09642	(-)-Salsolinol	C10H13NO2	179.0946	NA	KEGG	NA	NA
+C10146	Fusaric acid	C10H13NO2	179.0946	NA	KEGG	NA	NA
+C14579	Xylylcarb	C10H13NO2	179.0946	NA	KEGG	NA	NA
+C17235	L-Homophenylalanine	C10H13NO2	179.0946	NA	KEGG	NA	NA
+MJ004881	1,2,3,4-Tetrahydro-4,8-dihydroxy-2-methylisoquinoline 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004882	1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methylisoquinoline 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004883	2-(3,4-Methylenedioxyphenyl)ethylamine; N-Me 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004884	2-Amino-1,2,3,4-tetrahydro-5,6-dihydroxynaphthalene 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004885	2-Amino-1,2,3,4-tetrahydro-6,7-dihydroxynaphthalene 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004886	2-Amino-1-phenyl-1-propanol, N-Formyl 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004887	2-Hydroxy-N-isopropylbenzamide 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004888	2-Propoxybenzamide 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004889	3-(2-Carboxyethyl)-1,4-dimethylpyridinium 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004890	3-Hydroxy-3-(2-methylphenyl)propanoic acid, Amide 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004891	4-(2-Aminoethyl)phenol; N-Ac 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004892	4-Amino-3-phenylbutanoic acid 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004893	4-Ethoxyaniline; N-Ac 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004894	5-Butyl-2-pyridinecarboxylic acid 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004895	5-Ethyl-4-methyl-3-pyridinecarboxylic acid; Me ester 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004896	Maltoxazine 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004897	Oliveridine 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004898	Phenylalanine, N-Me 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004899	Tenamfetamine 	C10H13NO2	179.094628	NA	MeJP	NA	NA
+MJ004900	2,3-Dihydro-5,6-dihydroxy-1,1-dimethylindolium(1+) 	C10H14NO2(+)	179.094628	NA	MeJP	NA	NA
+HMDB01189	2(N)-Methyl-norsalsolinol	C10H13NO2	179.094635	NA	HMDB2010	NA	NA
+HMDB05199	(R)-Salsolinol	C10H13NO2	179.094635	NA	HMDB2010	NA	NA
+HMDB05199	(R)-Salsolinol	C10H13NO2	179.09464	http://www.hmdb.ca/metabolites/HMDB05199	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01189	2(N)-Methyl-norsalsolinol	C10H13NO2	179.09464	http://www.hmdb.ca/metabolites/HMDB01189	HMDB	NA	NA
+HMDB05199	(R)-Salsolinol	C10H13NO2	179.09464	http://www.hmdb.ca/metabolites/HMDB05199	HMDB	NA	NA
+HMDB05199	(R)-Salsolinol	C10H13NO2	179.09464	http://www.hmdb.ca/metabolites/HMDB05199	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01189	2(N)-Methyl-norsalsolinol	C10H13NO2	179.09464	HMDB01189	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05199	(R)-Salsolinol	C10H13NO2	179.09464	HMDB05199	PFEM_hmdb_metabocards_official	NA	NA
+MJ004901	Iproniazid 	C9H13N3O	179.105862	NA	MeJP	NA	NA
+C11777	Iproniazid	C9H13N3O	179.1059	NA	KEGG	NA	NA
+3547	ACE inhibitor	IRA	179.111	MH2+	Inhouse_peptide	NA	peptide
+8103	peptide derived from dried bonito	VKL	179.123	MH2+	Inhouse_peptide	NA	peptide
+8133	peptide derived from dried bonito	KVI	179.123	MH2+	Inhouse_peptide	NA	peptide
+C07220	Mexiletine	C11H17NO	179.131	NA	KEGG	NA	NA
+C09988	Tecomine	C11H17NO	179.131	NA	KEGG	NA	NA
+C17903	(+)-N-methylpseudoephedrine	C11H17NO	179.131	NA	KEGG	NA	NA
+MJ004902	2-(4-Methoxyphenyl)ethylamine; N,N-Di-Me 	C11H17NO	179.131014	NA	MeJP	NA	NA
+MJ004903	2-Dimethylamino-1-phenyl-1-propanol 	C11H17NO	179.131014	NA	MeJP	NA	NA
+MJ004904	Methoxyphenamine 	C11H17NO	179.131014	NA	MeJP	NA	NA
+MJ004905	Mexiletine 	C11H17NO	179.131014	NA	MeJP	NA	NA
+MJ004906	Tecomanine 	C11H17NO	179.131014	NA	MeJP	NA	NA
+MJ004907	Hordenine; N-Me 	C11H18NO(+)	179.131014	NA	MeJP	NA	NA
+MJ004908	Leptodactyline 	C11H18NO(+)	179.131014	NA	MeJP	NA	NA
+MJ004909	4-Cyclohexyl-3-ethyl-4H-1,2,4-triazole 	C10H17N3	179.142247	NA	MeJP	NA	NA
+MJ004910	1-(1-Adamantyl)ethylamine 	C12H21N	179.167399	NA	MeJP	NA	NA
+MJ004911	1-Amino-3,5-dimethyladamantane 	C12H21N	179.167399	NA	MeJP	NA	NA
+C07236	Rimantadine	C12H21N	179.1674	NA	KEGG	NA	NA
+C07237	Transferred to D00425	C12H21N	179.1674	NA	KEGG	NA	NA
+C07238	Transferred to D00426	C12H21N	179.1674	NA	KEGG	NA	NA
+C13736	Memantine	C12H21N	179.1674	NA	KEGG	NA	NA
+7637	ACE inhibitor from bonito bowels	GHF	179.5735	MH2+	Inhouse_peptide	NA	peptide
+3	Sarcoplasmic	FHG	179.574	MH2+	Inhouse_peptide	NA	peptide
+7746	ACE inhibitor from pearl oyster	LVE	179.597	MH2+	Inhouse_peptide	NA	peptide
+MJ004912	2-Bromo-1,1,1,2-tetrafluoroethane 	C2HBrF4	179.919775	NA	MeJP	NA	NA
+C06594	1,2,4-Trichlorobenzene	C6H3Cl3	179.93	NA	KEGG	NA	NA
+C14408	1,2,3-Trichlorobenzene	C6H3Cl3	179.93	NA	KEGG	NA	NA
+MJ004913	1,2,4-Trichlorobenzene 	C6H3Cl3	179.930033	NA	MeJP	NA	NA
+MetaCyc01519	1,2,4-trichlorobenzene [1,2,4-TCB;]	C6H3CL3	179.930033	120-82-1	metacyc	NA	NA
+MJ004914	Methioflurane 	C3H4Cl2F2S	179.937882	NA	MeJP	NA	NA
+MJ004915	2,3-Dichloro-4-nitro-1H-pyrrole 	C4H2Cl2N2O2	179.949332	NA	MeJP	NA	NA
+EUR650	Selenomethionine [M+H-H2O]+	NA	179.971075	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR650	Selenomethionine [M+H-H2O]+	NA	179.971075	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR650	Selenomethionine [M+H-H2O]+	NA	179.971075	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR650	Selenomethionine [M+H-H2O]+	NA	179.971075	1.31	Inhousejuil11	NA	NA
+MJ004916	2,5-Dichloro-2,5-cyclohexadiene-1,4-diol 	C6H6Cl2O2	179.974484	NA	MeJP	NA	NA
+MJ004917	3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene 	C6H6Cl2O2	179.974484	NA	MeJP	NA	NA
+MetaCyc01520	2,5-dichloro-2,5-cyclohexadiene-1,4-diol [2,5-DDOL;]	C6H6O2CL2	179.974485	NA	metacyc	NA	NA
+MetaCyc01521	1,4-dichlorobenzene dihydrodiol [3,6-dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene;p-dichlorobenzene dihydrodiol;]	C6H6O2CL2	179.974485	NA	metacyc	NA	NA
+C06599	2,5-Dichloro-2,5-cyclohexadiene-1,4-diol	C6H6Cl2O2	179.9745	NA	KEGG	NA	NA
+C07093	3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene	C6H6Cl2O2	179.9745	NA	KEGG	NA	NA
+MJ004918	2-Bromo-3-methylbutanoic acid 	C5H9BrO2	179.978592	NA	MeJP	NA	NA
+MJ004919	1-(Methylthio)ethyl 2-propenyl disulfide 	C6H12S3	180.010112	NA	MeJP	NA	NA
+MJ004920	3,5-Dialkyl-1,2,4-trithiolanes; 3-(2-Methylpropyl)-1,2,4-trithiolane 	C6H12S3	180.010112	NA	MeJP	NA	NA
+MJ004921	Chlorimidazine 	C6H10Cl2N2	180.022103	NA	MeJP	NA	NA
+JH052	Allantoin [M+Na]+	NA	180.0243	1.37	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH052	Allantoin [M+Na]+	NA	180.0243	1.37	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH052	Allantoin [M+Na]+	NA	180.0243	1.37	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH052	Allantoin [M+Na]+	NA	180.0243	1.37	Inhousejuil11	NA	NA
+MJ004922	2-Acetyl-3-hydroxy-5-(1-propynyl)thiophene 	C9H8O2S	180.0245	NA	MeJP	NA	NA
+MJ004923	1,5-Dihydro-2,4,6(3H)-pteridinetrione 	C6H4N4O3	180.02834	NA	MeJP	NA	NA
+MJ004924	2,4,7(1H,3H,8H)-Pteridinetrione 	C6H4N4O3	180.02834	NA	MeJP	NA	NA
+JH133	Syringic acid [M+H-H20]+	NA	180.0399	11.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH133	Syringic acid [M+H-H20]+	NA	180.0399	11.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH133	Syringic acid [M+H-H20]+	NA	180.0399	11.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH133	Syringic acid [M+H-H20]+	NA	180.0399	11.87	Inhousejuil11	NA	NA
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	PFEM_hmdb_metabocards_urine	NA	urine
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	HMDB	NA	NA
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	Inhouse_PFEM	NA	NA
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	12.21	Inhousejuil11	NA	NA
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	PFEM_hmdb_metabocards_blood	NA	blood
+JH096	Caffeic acid [M+H]+	C9H8O4	180.0417	Rtobs12.21	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00707	4-Hydroxyphenylpyruvic acid	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+HMDB01879	Aspirin	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+HMDB01964	Caffeic acid	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+HMDB02130	Monomethyl phthalate	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+HMDB03501	3,4-Dihydroxy-trans-cinnamate	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+HMDB06915	2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+HMDB11663	3-Hydroxyphenylpyruvic acid	C9H8O4	180.042252	NA	HMDB2010	NA	NA
+MJ004925	3,4-Dihydroxy-trans-cinnamate 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004926	2-Hydroxy-3-(4-hydroxyphenyl)propenoate 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004927	3-(4-Hydroxyphenyl)pyruvate 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004928	2,2,6-Trihydroxy-2H-1-benzopyran 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004929	2-Acetoxybenzoic acid 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004930	2-Formyl-3-hydroxybenzoic acid; Acid-form, Me ester 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004931	2-Hydroxy-4,5-methylenedioxybenzaldehyde; Me ether 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004932	2-Hydroxy-6-(hydroxymethyl)benzaldehyde; 1''-O-Formyl 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004933	3-(2,3-Dihydroxyphenyl)-2-propenoic acid 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004934	3-(2,5-Dihydroxyphenyl)-2-propenoic acid 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004935	3-(3,4-Dihydroxyphenyl)-2-propenoic acid 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004936	3-(3,5-Dihydroxyphenyl)-2-propenoic acid 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004937	3-(4-Hydroxyphenyl)-2-oxopropanoic acid 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004938	4,5-Dihydroxy-1,3-benzenedicarboxaldehyde; 5-Me ether 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004939	5,7-Dihydroxy-1(3H)-isobenzofuranone; 5-Me ether 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004940	5,7-Dihydroxy-4-methyl-1(3H)-isobenzofuranone 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004941	5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MJ004942	Carolic acid, 5,6-Didehydro 	C9H8O4	180.042258	NA	MeJP	NA	NA
+MetaCyc01522	p-hydroxyphenylpyruvate [hydroxyphenylpyruvate;4-hydroxyphenylpyruvate;]	C9H8O4	180.042259	156-39-8	metacyc	NA	NA
+MetaCyc01523	trans-Caffeate [caffeic acid;3,4-dihydroxy-trans-cinnamate;]	C9H8O4	180.042259	NA	metacyc	NA	NA
+MetaCyc01524	aspirin [Acetylsalicylic acid;2-Acetoxybenzenecarboxylic acid;Acetylsalicylate;]	C9H8O4	180.042259	50-78-2	metacyc	NA	NA
+MetaCyc01525	caffeate [caffeic acid;]	C9H8O4	180.042259	NA	metacyc	NA	NA
+MetaCyc01526	3-(4-hydroxyphenyl)pyruvate [4-hydroxyphenylpyruvate;p-hydroxyphenylpyruvic acid;]	C9H8O4	180.042259	NA	metacyc	NA	NA
+MetaCyc01527	benzylmalonate []	C9H8O4	180.042259	NA	metacyc	NA	NA
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR626	caffeic acid	NA	180.04226	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR626	caffeic acid	NA	180.04226	181.04946	Inhouse_sept12	NA	NA
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR626	caffeic acid	NA	180.04226	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB00707	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01964	Caffeic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01964	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB00707	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01879	Aspirin	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01879	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01964	Caffeic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01964	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB00707	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01964	Caffeic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01964	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB00707	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01964	Caffeic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01964	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB00707	HMDB	NA	NA
+HMDB01879	Aspirin	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01879	HMDB	NA	NA
+HMDB01964	Caffeic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01964	HMDB	NA	NA
+HMDB02130	Monomethyl phthalate	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB02130	HMDB	NA	NA
+HMDB03501	3,4-Dihydroxy-trans-cinnamate	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB03501	HMDB	NA	NA
+HMDB06915	2-Hydroxy-3-(4-hydroxyphenyl)propenoate	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB06915	HMDB	NA	NA
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB00707	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01879	Aspirin	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01879	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01964	Caffeic acid	C9H8O4	180.04227	http://www.hmdb.ca/metabolites/HMDB01964	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00707	Hydroxyphenylpyruvic acid	C9H8O4	180.04227	HMDB00707	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01879	Aspirin	C9H8O4	180.04227	HMDB01879	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01964	Caffeic acid	C9H8O4	180.04227	HMDB01964	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02130	Monomethyl phthalate	C9H8O4	180.04227	HMDB02130	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03501	3,4-Dihydroxy-trans-cinnamate	C9H8O4	180.04227	HMDB03501	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06915	2-Hydroxy-3-(4-hydroxyphenyl)propenoate	C9H8O4	180.04227	HMDB06915	PFEM_hmdb_metabocards_official	NA	NA
+EUR626	caffeic acid	[M+H]+	180.0423	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR626	caffeic acid	[M+H]+	180.0423	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR626	caffeic acid	[M+H]+	180.0423	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR626	caffeic acid	[M+H]+	180.0423	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C01179	3-(4-Hydroxyphenyl)pyruvate	C9H8O4	180.0423	NA	KEGG	NA	NA
+C01197	Caffeate	C9H8O4	180.0423	NA	KEGG	NA	NA
+C01405	Aspirin	C9H8O4	180.0423	NA	KEGG	NA	NA
+C01406	Azocoll	C9H8O4	180.0423	NA	KEGG	NA	NA
+C01481	Caffeate	C9H8O4	180.0423	NA	KEGG	NA	NA
+C05350	2-Hydroxy-3-(4-hydroxyphenyl)propenoate	C9H8O4	180.0423	NA	KEGG	NA	NA
+C05351	Phenylamide sulfate	C9H8O4	180.0423	NA	KEGG	NA	NA
+C12623	trans-2,3-Dihydroxycinnamate	C9H8O4	180.0423	NA	KEGG	NA	NA
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	HMDB	NA	NA
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	Inhouse_PFEM	NA	NA
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis003	caffeic acid	HMDB01964_RT6.4_add163, 145	180.0429	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0430	5-Methylthioribose [(M+H)]+	C6H13O4S	180.045075	C18rt(min)=1.09 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0430	5-Methylthioribose [(M+H)]+	C6H13O4S	180.045075	C18rt(min)=1.09 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03089	5-Methylthio-D-ribose	C6H12O4S	180.0456	NA	KEGG	NA	NA
+HMDB01087	5-Methylthioribose	C6H12O4S	180.04562	http://www.hmdb.ca/metabolites/HMDB01087	HMDB	NA	NA
+HMDB01087	5-Methylthioribose	C6H12O4S	180.04562	HMDB01087	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01087	5-Methylthioribose	C6H12O4S	180.045624	NA	HMDB2010	NA	NA
+MetaCyc01528	5-methylthioribose [S5-methyl-5-thio-D-ribose;5-methylthio-D-ribose;MTR;S-methyl-5-thio-D-ribose;]	C6H12O4S1	180.04563	NA	metacyc	NA	NA
+MJ004943	3-Pyridinecarboxaldehyde; Thiosemicarbazone 	C7H8N4S	180.046966	NA	MeJP	NA	NA
+C14623	6-(Ethylthio)purine	C7H8N4S	180.047	NA	KEGG	NA	NA
+CJpos0431	Nicotinuric acid isomer [(M+H)]+	C8H9N2O3	180.052975	C18rt(min)=5.31 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0431	Nicotinuric acid isomer [(M+H)]+	C8H9N2O3	180.052975	C18rt(min)=5.31 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR350	3-Nitrotyrosine F3	NA	180.053275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR350	3-Nitrotyrosine F3	NA	180.053275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR350	3-Nitrotyrosine F3	NA	180.053275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR350	3-Nitrotyrosine F3	NA	180.053275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR350	3-Nitrotyrosine F3	F3	180.053275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ004944	Nicotinurate 	C8H8N2O3	180.053492	NA	MeJP	NA	NA
+MJ004945	3-Acetyl-2,5-diamino-1,4-benzoquinone 	C8H8N2O3	180.053492	NA	MeJP	NA	NA
+MJ004946	Nicotinuric acid 	C8H8N2O3	180.053492	NA	MeJP	NA	NA
+HMDB03269	Nicotinuric acid	C8H8N2O3	180.053497	NA	HMDB2010	NA	NA
+HMDB03269	Nicotinuric acid	C8H8N2O3	180.0535	http://www.hmdb.ca/metabolites/HMDB03269	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03269	Nicotinuric acid	C8H8N2O3	180.0535	http://www.hmdb.ca/metabolites/HMDB03269	HMDB	NA	NA
+C05380	Nicotinurate	C8H8N2O3	180.0535	NA	KEGG	NA	NA
+C16623	Isonicotinylglycine	C8H8N2O3	180.0535	NA	KEGG	NA	NA
+HMDB03269	Nicotinuric acid	C8H8N2O3	180.0535	http://www.hmdb.ca/metabolites/HMDB03269	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03269	Nicotinuric acid	C8H8N2O3	180.0535	HMDB03269	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03269	Nicotinuric acid	C8H8N2O3	180.0535	NA  ;SYN:3,3'-Diselenobisalanine; 3,3'-Diselenodialanine; D,L-Selenocystine; DL-Selenocystine; Selenium cystine; Seleno-DL-cystineH2Blood	Inhouse_peptide	NA	peptide
+CJneg0263	Nicotinuric acid isomer [(M-H)]-	C8H7N2O3	180.054025	C18rt(min)=5.31 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0263	Nicotinuric acid isomer [(M-H)]-	C8H7N2O3	180.054025	C18rt(min)=5.31 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ004947	Methionine sulfoximine 	C5H12N2O3S	180.056862	NA	MeJP	NA	NA
+C03510	L-Methionine sulfoximine	C5H12N2O3S	180.0569	NA	KEGG	NA	NA
+C03511	L-Phenylalanyl-tRNA(Phe)	C19H26NO11PR2	180.0569	NA	KEGG	NA	NA
+C03512	L-Tryptophanyl-tRNA(Trp)	C26H31N7O11PR	180.0569	NA	KEGG	NA	NA
+C03829	2S,5S-Methionine sulfoximine	C5H12N2O3S	180.0569	NA	KEGG	NA	NA
+C06712	Fluoren-9-one	C13H8O	180.0575	NA	KEGG	NA	NA
+MJ004948	1,11-Tridecadiene-3,5,7,9-tetrayne; 1,2-Epoxide 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004949	1,11-Tridecadiene-3,5,7,9-tetrayne; 11,12-Epoxide 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004950	1,3-Tridecadiene-5,7,9,11-tetrayne, 1,2-Epoxide 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004951	12-Tridecene-4,6,8,10-tetraynal 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004952	2,10,12-Tridecatriene-4,6,8-triyn-1-ol, Aldehyde 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004953	2,12-Tridecadiene-4,6,8,10-tetrayn-1-ol 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004954	2-(1-Nonene-3,5,7-triynyl)furan 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004955	7-Phenyl-2,4,6-heptatriyn-1-ol 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004956	7-Phenyl-2-heptene-4,6-diynal 	C13H8O	180.057514	NA	MeJP	NA	NA
+MJ004957	Fluoren-9-one 	C13H8O	180.057514	NA	MeJP	NA	NA
+MetaCyc01529	9-fluorenone [Fluorenone;9H-Fluoren-9-one;]	C13H8O1	180.057515	486-25-9	metacyc	NA	NA
+CJpos0432	Hippuric acid [(M+H)]+ (13C)	C813CH10NO3	180.061075	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0432	Hippuric acid [(M+H)]+ (13C)	C813CH10NO3	180.061075	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0264	Hippuric acid [(M-H)]- (13C)	C813CH8NO3	180.062125	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0264	Hippuric acid [(M-H)]- (13C)	C813CH8NO3	180.062125	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00122	D-Glucose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB00143	D-Galactose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB00169	D-Mannose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB00211	Myoinositol	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB00346	3-Deoxyarabinohexonic acid	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB00516	Beta-D-Glucose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB00660	D-Fructose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB01151	Allose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB01266	L-Sorbose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB03345	Alpha-D-Glucose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB03418	D-Tagatose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB03449	Beta-D-Galactose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB06088	Scyllitol	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+HMDB12326	L-Gulose	C6H12O6	180.063385	NA	HMDB2010	NA	NA
+MJ004958	D-Fructose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004959	D-Galactose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004960	D-Glucose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004961	D-Mannose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004962	D-Tagatose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004963	L-Rhamnonate 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004964	L-Sorbose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004965	alpha-D-Glucose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004966	beta-D-Fructose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004967	beta-D-Galactose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004968	beta-D-Glucose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004969	myo-Inositol 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004970	6-Deoxymannonic acid 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004971	Allose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004972	Fructose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004973	Fuconic acid 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004974	Galactose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004975	Glucose; D-Pyranose-form 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004976	Glucose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004977	Mannose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004978	Psicose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004979	Sorbose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004980	Tagatose 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004981	Talose; ?-D-Furanose-form 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004982	Xylonic acid, Me ester 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004983	chiro-Inositol 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004984	muco-Inositol 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004985	myo-Inositol 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004986	neo-Inositol 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MJ004987	scyllo-Inositol 	C6H12O6	180.063388	NA	MeJP	NA	NA
+MetaCyc01530	L-rhamnonate []	C6H12O6	180.063388	6422-34-0	metacyc	NA	NA
+MetaCyc01531	L-galactose []	C6H12O6	180.063388	NA	metacyc	NA	NA
+MetaCyc01532	2-deoxygluconate [de-O-gluconate;2-deoxy-D-gluconate;2-deoxygluconic acid;2-deoxy-D-gluconic acid;]	C6H12O6	180.063388	3442-69-1	metacyc	NA	NA
+MetaCyc01533	D-hamamelose []	C6H12O6	180.063388	4573-78-8	metacyc	NA	NA
+MetaCyc01534	D-fuconate []	C6H12O6	180.063388	NA	metacyc	NA	NA
+MetaCyc01535	L-Fuconate []	C6H12O6	180.063388	26372-13-4	metacyc	NA	NA
+MetaCyc01536	myo-inositol [chiro-inositol;mesoinositol;inositol;]	C6H12O6	180.063388	87-89-8	metacyc	NA	NA
+MetaCyc01537	L-glucose []	C6H12O6	180.063388	921-60-8	metacyc	NA	NA
+MetaCyc01538	&beta;-D-glucose [glucose;dextrose;glc;glc-ring;D-glucose-ring;D-glucose;glucoside;&beta;-D-glucopyranose;&beta;-glucose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;]	C6H12O6	180.063388	50-99-7	metacyc	NA	NA
+MetaCyc01539	&alpha;-D-glucose [&alpha;-glucose;D-glucose;glucose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;]	C6H12O6	180.063388	NA	metacyc	NA	NA
+MetaCyc01540	&beta;-D-galactose [galactose;galactopyranoside;galactopyranose;D-galactose;cerebrose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;]	C6H12O6	180.063388	59-23-4	metacyc	NA	NA
+MetaCyc01541	&alpha;-D-galactose [&alpha;-galactose;6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetraol;]	C6H12O6	180.063388	NA	metacyc	NA	NA
+MetaCyc01542	D-psicose [D-ribo-2-ketohexose;D-ribo-2-hexulose;D-psicose;allulose;psicose;]	C6H12O6	180.063388	23140-52-5	metacyc	NA	NA
+MetaCyc01543	&beta;-D-fructose []	C6H12O6	180.063388	NA	metacyc	NA	NA
+MetaCyc01544	D-allose [allose;&beta;-D-allose;]	C6H12O6	180.063388	2595-97-3	metacyc	NA	NA
+MetaCyc01545	tagatose [D-tagatose;]	C6H12O6	180.063388	17598-81-1	metacyc	NA	NA
+MetaCyc01546	sorbose [L-sorbose;D-sorbose;]	C6H12O6	180.063388	87-79-6	metacyc	NA	NA
+MetaCyc01547	mannose [mannopyranoside;mannopyranose;D-mannose;]	C6H12O6	180.063388	3458-28-4	metacyc	NA	NA
+MetaCyc01548	idose [idopyranose;idose;]	C6H12O6	180.063388	2152-76-3	metacyc	NA	NA
+MetaCyc01549	gulose [&alpha;-D-gulopyranose;]	C6H12O6	180.063388	19163-87-2	metacyc	NA	NA
+MetaCyc01550	fructose [laevosan;levugen;laevoral;fructosteril;levulose;fru;fru-ring;D-fructose-ring;D-fructose;]	C6H12O6	180.063388	30237-26-4	metacyc	NA	NA
+MetaCyc01551	altrose [D-altropyranose;D-altrose;]	C6H12O6	180.063388	5987-68-8	metacyc	NA	NA
+HMDB00122	D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00122	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00143	D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00143	PFEM_hmdb_metabocards_urine	NA	urine
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00122	D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00122	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00143	D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00143	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00169	D-Mannose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00169	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00211	Myoinositol	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00211	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00660	D-Fructose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00660	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06088	epi-inositol	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB06088	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00122	D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00122	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00143	D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00143	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00122	D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00122	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00143	D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00143	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00122	D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00122	HMDB	NA	NA
+HMDB00143	D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00143	HMDB	NA	NA
+HMDB00169	D-Mannose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00169	HMDB	NA	NA
+HMDB00211	Myoinositol	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00211	HMDB	NA	NA
+HMDB00346	3-Deoxyarabinohexonic acid	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00346	HMDB	NA	NA
+HMDB00516	beta-D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00516	HMDB	NA	NA
+HMDB00660	D-Fructose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00660	HMDB	NA	NA
+HMDB01151	Allose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB01151	HMDB	NA	NA
+HMDB01266	L-Sorbose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB01266	HMDB	NA	NA
+HMDB03345	alpha-D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB03345	HMDB	NA	NA
+HMDB03418	D-Tagatose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB03418	HMDB	NA	NA
+HMDB03449	beta-D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB03449	HMDB	NA	NA
+HMDB06088	epi-inositol	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB06088	HMDB	NA	NA
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	HMDB	NA	NA
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	Inhouse_PFEM	NA	NA
+HMDB00122	D-Glucose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00122	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00143	D-Galactose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00143	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00169	D-Mannose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00169	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00211	Myoinositol	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00211	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00660	D-Fructose	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB00660	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06088	epi-inositol	C6H12O6	180.06339	http://www.hmdb.ca/metabolites/HMDB06088	PFEM_hmdb_metabocards_blood	NA	blood
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR041	Glucose	C6H12O6	180.06339	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00122	D-Glucose	C6H12O6	180.06339	HMDB00122	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00143	D-Galactose	C6H12O6	180.06339	HMDB00143	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00169	D-Mannose	C6H12O6	180.06339	HMDB00169	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00211	Myoinositol	C6H12O6	180.06339	HMDB00211	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00346	3-Deoxyarabinohexonic acid	C6H12O6	180.06339	HMDB00346	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00516	beta-D-Glucose	C6H12O6	180.06339	HMDB00516	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00660	D-Fructose	C6H12O6	180.06339	HMDB00660	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01151	Allose	C6H12O6	180.06339	HMDB01151	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01266	L-Sorbose	C6H12O6	180.06339	HMDB01266	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03345	alpha-D-Glucose	C6H12O6	180.06339	HMDB03345	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03418	D-Tagatose	C6H12O6	180.06339	HMDB03418	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03449	beta-D-Galactose	C6H12O6	180.06339	HMDB03449	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06088	epi-inositol	C6H12O6	180.06339	HMDB06088	PFEM_hmdb_metabocards_official	NA	NA
+EUR041	Glucose	C6H12O6	180.0634	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR041	Glucose	C6H12O6	180.0634	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR041	Glucose	C6H12O6	180.0634	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR041	Glucose	C6H12O6	180.0634	Wishlist	Inhousejuil11	NA	NA
+C00031	D-Glucose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00095	D-Fructose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00124	D-Galactose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00125	Ferricytochrome c	C42H44FeN8O8S2R4	180.0634	NA	KEGG	NA	NA
+C00126	Ferrocytochrome c	C42H44FeN8O8S2R4	180.0634	NA	KEGG	NA	NA
+C00137	myo-Inositol	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00138	Reduced ferredoxin	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00139	Oxidized ferredoxin	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00159	D-Mannose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00221	beta-D-Glucose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00247	L-Sorbose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00267	alpha-D-Glucose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00737	D-Aldose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00738	D-Hexose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00764	D-Sorbose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00795	D-Tagatose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00936	alpha-D-Mannose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00962	beta-D-Galactose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C00963	beta-D-Glucoside	C6H11O6R	180.0634	NA	KEGG	NA	NA
+C00984	alpha-D-Galactose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01383	Ketose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01452	Sorbose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01487	D-Allose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01582	Galactose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01662	Aldohexose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01663	Alkylamide	CH2NOR	180.0634	NA	KEGG	NA	NA
+C01664	Alkylamine	NH2R	180.0634	NA	KEGG	NA	NA
+C01667	Bacitracin	NH2R	180.0634	NA	KEGG	NA	NA
+C01680	D-Fuconate	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01719	L-Fructose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01720	L-Fuconate	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01825	L-Galactose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01906	D-Hamamelose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01934	L-Rhamnonate	C6H12O6	180.0634	NA	KEGG	NA	NA
+C01935	Maltodextrin	C6H12O6	180.0634	NA	KEGG	NA	NA
+C02209	beta-D-Mannose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C02210	beta-Endorphin	C6H12O6	180.0634	NA	KEGG	NA	NA
+C02211	tRNA precursor	C10H17O10PR2	180.0634	NA	KEGG	NA	NA
+C02336	beta-D-Fructose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C02337	beta-D-Xyloside	C5H9O5R	180.0634	NA	KEGG	NA	NA
+C02782	2-Deoxy-D-gluconate	C6H12O6	180.0634	NA	KEGG	NA	NA
+C05003	Fructose(pyranose)	C6H12O6	180.0634	NA	KEGG	NA	NA
+C05005	Glycolipid	C6H12O6	180.0634	NA	KEGG	NA	NA
+C05009	Heme-thiolate(P-450)	C38H37FeN6O6SR2	180.0634	NA	KEGG	NA	NA
+C06152	muco-Inositol	C6H12O6	180.0634	NA	KEGG	NA	NA
+C06153	scyllo-Inositol	C6H12O6	180.0634	NA	KEGG	NA	NA
+C06464	D-Altrose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C06465	D-Gulose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C06466	D-Idose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C06467	D-Talose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C06468	D-Psicose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C08351	beta-D-Hamamelopyranose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C08356	alpha-L-Sorbopyranose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C10906	D-Fructose	C6H12O6	180.0634	NA	KEGG	NA	NA
+C15923	L-Gulose	C6H12O6	180.0634	NA	KEGG	NA	NA
+CJneg0265	Hexose [(M-H)]-	C6H11O6	180.063925	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0265	Hexose [(M-H)]-	C6H11O6	180.063925	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0433	Paraxanthine Theophylline [(M+H)]+	C7H9N4O2	180.064175	C18rt(min)=5.1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0434	Theobromine [(M+H)]+	C7H9N4O2	180.064175	C18rt(min)=4.79 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0433	Paraxanthine § Theophylline [(M+H)]+	C7H9N4O2	180.064175	C18rt(min)=5.1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0434	Theobromine [(M+H)]+	C7H9N4O2	180.064175	C18rt(min)=4.79 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C07130	Theophylline	C7H8N4O2	180.0647	NA	KEGG	NA	NA
+C07131	Transferred to D00372	C7H8N4O2	180.0647	NA	KEGG	NA	NA
+C07480	Theobromine	C7H8N4O2	180.0647	NA	KEGG	NA	NA
+C13747	1,7-Dimethylxanthine	C7H8N4O2	180.0647	NA	KEGG	NA	NA
+MJ004988	Theobromine 	C7H8N4O2	180.064725	NA	MeJP	NA	NA
+MJ004989	Theophylline 	C7H8N4O2	180.064725	NA	MeJP	NA	NA
+MJ004990	Xanthine; 7H-form, 1,7-Di-Me 	C7H8N4O2	180.064725	NA	MeJP	NA	NA
+MetaCyc01552	theobromine [3,7-dimethylxanthine;]	C7H8N4O2	180.064726	NA	metacyc	NA	NA
+MetaCyc01553	paraxanthine [1,7-dimethylxanthine;]	C7H8N4O2	180.064726	NA	metacyc	NA	NA
+HMDB01860	Paraxanthine	C7H8N4O2	180.064728	NA	HMDB2010	NA	NA
+HMDB01889	Theophylline	C7H8N4O2	180.064728	NA	HMDB2010	NA	NA
+HMDB02825	Theobromine	C7H8N4O2	180.064728	NA	HMDB2010	NA	NA
+HMDB01860	Paraxanthine	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB01860	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01889	Theophylline	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB01889	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02825	Theobromine	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB02825	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01860	Paraxanthine	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB01860	HMDB	NA	NA
+HMDB01889	Theophylline	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB01889	HMDB	NA	NA
+HMDB02825	Theobromine	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB02825	HMDB	NA	NA
+HMDB01860	Paraxanthine	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB01860	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01889	Theophylline	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB01889	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02825	Theobromine	C7H8N4O2	180.06473	http://www.hmdb.ca/metabolites/HMDB02825	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01860	Paraxanthine	C7H8N4O2	180.06473	HMDB01860	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01889	Theophylline	C7H8N4O2	180.06473	HMDB01889	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02825	Theobromine	C7H8N4O2	180.06473	HMDB02825	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0266	Paraxanthine / Theophylline [(M-H)]-	C7H7N4O2	180.065325	C18rt(min)=5.1 Neg identified a,b,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0267	Theobromine [(M-H)]-	C7H7N4O2	180.065325	C18rt(min)=4.79 Neg identified a,b,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0266	Paraxanthine / Theophylline [(M-H)]-	C7H7N4O2	180.065325	C18rt(min)=5.1 Neg identified a,b,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0267	Theobromine [(M-H)]-	C7H7N4O2	180.065325	C18rt(min)=4.79 Neg identified a,b,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+7640	ACE inhibitor from porcine myosin (79-81)	MNP	180.06765	MH2+	Inhouse_peptide	NA	peptide
+9	Myosin	MNP	180.068	MH2+	Inhouse_peptide	NA	peptide
+C00604	1,10-Phenanthroline	C12H8N2	180.0687	NA	KEGG	NA	NA
+C00605	2,3-Dehydroacyl-CoA	C24H37N7O17P3SR	180.0687	NA	KEGG	NA	NA
+MetaCyc01554	o-phenanthroline [phenanthroline;1,10-phenanthroline;1,10-Fenanthroline;1,10-o-phenanthroline;2-phenanthroline;4,5-diazaphenanthrene;orthophenanthroline;&beta;-phenanthroline;]	C12H8N2	180.068748	NA	metacyc	NA	NA
+MJ004991	Protionamide 	C9H12N2S	180.072119	NA	MeJP	NA	NA
+C00590	Coniferyl alcohol	C10H12O3	180.0786	NA	KEGG	NA	NA
+C00591	N-Acylneuraminate	C10H16NO9R	180.0786	NA	KEGG	NA	NA
+C15475	U 0521	C10H12O3	180.0786	NA	KEGG	NA	NA
+HMDB11751	3-Methoxybenzenepropanoic acid	C10H12O3	180.078644	NA	HMDB2010	NA	NA
+MJ004992	1,8-Dihydroxy-4,6-decadiyn-3-one 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004993	1-(2,6-Dihydroxyphenyl)-1-butanone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004994	1-(3,4-Dihydroxyphenyl)-1-propanone; 3-Me ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004995	2',4'-Dihydroxy-3',5'-dimethylacetophenone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004996	2,4-Dihydroxy-3,6-dimethylbenzaldehyde; 2-Me ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004997	2,4-Dihydroxy-3,6-dimethylbenzaldehyde; 4-Me ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004998	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ004999	2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005000	2-Hydroxy-3-phenylpropanoic acid, Me ester 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005001	2-Methoxy-6-propyl-1,4-benzoquinone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005002	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005003	3-(3,5-Dihydroxyphenyl)-2-butanone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005004	3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 1',2'-Epoxide 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005005	3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 3'-Hydroxy 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005006	4-(3,4-Dihydroxyphenyl)-2-butanone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005007	4-Hydroxy-3,5-dimethylbenzoic acid; Me ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005008	4-Hydroxy-4-phenylbutanoic acid 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005009	4-Hydroxybenzoic acid; Propyl ester 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005010	4-Hydroxybenzoic acid; Propyl ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005011	4-Hydroxybenzyl alcohol; 4-Me ether, Ac 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005012	5,6-Dihydro-6-(4-oxo-2-pentenyl)-2H-pyran-2-one 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005013	5-(1-Butenyl)-6-methyl-2H-pyran-2-one, 1'?,2'?-Epoxide 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005014	5-(2-Propenyl)-1,2,3-benzenetriol; 1-Me ether 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005015	5-Hydroxy-p-mentha-1,4-diene-3,6-dione 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005016	8,10-Dihydroxy-4,6-decadiyn-3-one 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005017	Adriadysiolide 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005018	Dihydro-5-(5-hydroxy-3-hexen-1-ynyl)-2(5H)-furanone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005019	Evodone, 6?-Hydroxy 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005020	Pestalopyrone 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MJ005021	Coniferyl alcohol 	C10H12O3	180.078644	NA	MeJP	NA	NA
+MetaCyc01555	coniferyl alcohol [coniferyl alcohol;4-hydroxy-3-methoxycinnamyl alcohol;3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol;4-(3-hydroxy-1-propenyl)-2-methoxyphenol;&gamma;-hydroxyisoeugenol;coniferol;]	C10H12O3	180.078644	458-35-5	metacyc	NA	NA
+7491	ACE inhibitor	GVW	180.084	MH2+	Inhouse_peptide	NA	peptide
+HMDB04076	5-Hydroxykynurenamine	C9H12N2O2	180.08987	http://www.hmdb.ca/metabolites/HMDB04076	HMDB	NA	NA
+HMDB04076	5-Hydroxykynurenamine	C9H12N2O2	180.08987	HMDB04076	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04076	5-Hydroxykynurenamine	C9H12N2O2	180.089874	NA	HMDB2010	NA	NA
+HMDB13319	Tyrosinamide	C9H12N2O2	180.089874	NA	HMDB2010	NA	NA
+MJ005022	3-Hydroxykynurenamine 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+MJ005023	1,5-Dihydro-3-methyl-1-(5-oxo-2-pyrrolidinyl)-2H-pyrrol-2-one 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+MJ005024	2-Amino-3-(4-aminophenyl)propanoic acid 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+MJ005025	3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+MJ005026	5-(1-Aminoethyl)-3-pyridinecarboxylic acid, Me ester 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+MJ005027	Antibiotic SF 2771 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+MJ005028	Tyrosine, Amide 	C9H12N2O2	180.089877	NA	MeJP	NA	NA
+C05636	3-Hydroxykynurenamine	C9H12N2O2	180.0899	NA	KEGG	NA	NA
+C05638	5-Hydroxykynurenamine	C9H12N2O2	180.0899	NA	KEGG	NA	NA
+C12033	p-Aminophenylalanine	C9H12N2O2	180.0899	NA	KEGG	NA	NA
+7580	ACE inhibitor	RW	180.09	MH2+	Inhouse_peptide	NA	peptide
+8214	Antioxidative peptide	RW	180.09	MH2+	Inhouse_peptide	NA	peptide
+MJ005029	1,4-Diamino-1,4-dideoxyglucitol 	C6H16N2O4	180.111007	NA	MeJP	NA	NA
+C03929	3-tert-Butyl-5-methylcatechol	C11H16O2	180.115	NA	KEGG	NA	NA
+MJ005030	1-(3-Hydroxyphenyl)-1-pentanol 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005031	2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005032	2,4,6-Decatrienoic acid, Me ester 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005033	2-Isopropyl-5-methyl-1,4-benzenediol; 2-Me ether 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005034	2-Isopropyl-5-methyl-1,4-benzenediol; 5-Me ether 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005035	3,4-Dimethyl-5-pentylidene-2(5H)-furanone 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005036	5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005037	5-(3,6-Heptadienyl)dihydro-2(3H)-furanone 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005038	6-Ethyl-3-(2-methylpropyl)-2H-pyran-2-one 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005039	Jasmololone 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005040	Jasmolone 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005041	Limonenecarboxylic acid 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005042	Norecasantalol; Carboxylic acid 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005043	p-Mentha-1,3,5-triene-2,8-diol; 2-Me ether 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005044	p-Mentha-1,3,5-triene-2,8-diol; 8-Me ether 	C11H16O2	180.115029	NA	MeJP	NA	NA
+MJ005045	Rilmenidine 	C10H16N2O	180.126263	NA	MeJP	NA	NA
+MJ005046	Smipine 	C10H16N2O	180.126263	NA	MeJP	NA	NA
+C11120	Rilmenidine	C10H16N2O	180.1263	NA	KEGG	NA	NA
+C10575	Candicine	C11H18NO	180.1388	NA	KEGG	NA	NA
+C08375	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol	C12H20O	180.1514	NA	KEGG	NA	NA
+MJ005047	11,12,13-Trinor-5-eudesmene; 5?,6?-Epoxide 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005048	2,5,6,6-Tetramethyl-2-cyclohexeneacetaldehyde 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005049	2,6-Dodecadienal 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005050	2-Hexyl-3-methyl-2-cyclopenten-1-one 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005051	3,6,8-Dodecatrien-1-ol 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005052	5,7-Dodecadienal 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005053	5-Isopropyl-2-propyl-2-cyclohexen-1-one 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005054	9,11-Dodecadienal 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005055	Geosmin; 7,8-Didehydro 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005056	Quinceoxepine; 4,5-Dihydro (cis-) 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005057	Quinceoxepine; 4,5-Dihydro (trans-) 	C12H20O	180.151415	NA	MeJP	NA	NA
+MJ005058	Tricycloekasantalol 	C12H20O	180.151415	NA	MeJP	NA	NA
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR516	12-HPETE F5	NA	180.151625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR516	12-HPETE F5	NA	180.151625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR516	12-HPETE F5	NA	180.151625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR516	12-HPETE F5	NA	180.151625	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR516	12-HPETE F5	F5	180.151625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ005059	1,5-Tridecadiene 	C13H24	180.1878	NA	MeJP	NA	NA
+HMDB04143	Tantalum	Ta	180.94798	http://www.hmdb.ca/metabolites/HMDB04143	HMDB	NA	NA
+HMDB04143	Tantalum	Ta	180.94798	HMDB04143	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04143	Tantalum	[Ta]5+	180.947983	NA	HMDB2010	NA	NA
+C10910	2-Methylthiobenzothiazole	C8H7NS2	181.002	NA	KEGG	NA	NA
+C11473	Evisect	C5H11NS3	181.0054	NA	KEGG	NA	NA
+MJ005060	2,6-Benzothiazolediol; N-Me 	C8H7NO2S	181.019749	NA	MeJP	NA	NA
+MJ005061	Cysteine, S-(Methylthiomethyl) 	C5H11NO2S2	181.023119	NA	MeJP	NA	NA
+CJneg0268	1,7-dimethyluric acid [(M-H)-(CH3•)]-	C6H4N4O3	181.036725	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0268	1,7-dimethyluric acid [(M-H)-(CH3•)]-	C6H4N4O3	181.036725	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C06050	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate	C8H7NO4	181.0375	NA	KEGG	NA	NA
+C15770	DIBOA	C8H7NO4	181.0375	NA	KEGG	NA	NA
+HMDB06954	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate	C8H7NO4	181.037506	NA	HMDB2010	NA	NA
+MJ005062	2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; N-Hydroxy 	C8H7NO4	181.037507	NA	MeJP	NA	NA
+MJ005063	3-Amino-2-hydroxybenzoic acidyl 	C8H7NO4	181.037507	NA	MeJP	NA	NA
+MJ005064	3-Amino-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one, N-Ac, 5-ketone 	C8H7NO4	181.037507	NA	MeJP	NA	NA
+MJ005065	3-Carboxy-1-(carboxymethyl)pyridinium betaine 	C8H7NO4	181.037507	NA	MeJP	NA	NA
+MJ005066	4-(2-Nitroethenyl)-1,2-benzenediol 	C8H7NO4	181.037507	NA	MeJP	NA	NA
+MetaCyc01556	p-nitrophenyl acetate [p-nitrophenyl acetate (VAN);4-nitrophenyl acetate;acetic acid p-nitrophenyl ester;p-acetoxynitrobenzene;p-nitrophenol acetate;acetic acid, 4-nitrophenyl ester;]	C8H7N1O4	181.037508	NA	metacyc	NA	NA
+MetaCyc01557	DIBOA [2,4-dihydrozy-2H-1,4-benzoxazin-3(4H)-one;]	C8H7N1O4	181.037508	NA	metacyc	NA	NA
+MJ005067	3-Amino-1-propanesulfonic acid; N-Ac 	C5H11NO4S	181.040878	NA	MeJP	NA	NA
+MetaCyc01558	thioguanine S-methylether []	C6H7N5S1	181.042216	NA	metacyc	NA	NA
+MetaCyc01559	thioadenine S-methylether []	C6H7N5S1	181.042216	NA	metacyc	NA	NA
+CJpos0435	5-Methylthioribose [(M+H)]+ (13C)	C513CH13O4S	181.048475	C18rt(min)=1.09 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0435	5-Methylthioribose [(M+H)]+ (13C)	C513CH13O4S	181.048475	C18rt(min)=1.09 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0436	Stachydrine (Proline betaine) [(M+K)]+	C7H13KNO2	181.049975	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0436	Stachydrine (Proline betaine) [(M+K)]+	C7H13KNO2	181.049975	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005068	Glufosinate 	C5H12NO4P	181.050394	NA	MeJP	NA	NA
+C04650	L-2-Amino-4-(hydroxymethylphosphinyl)butanoate	C5H12NO4P	181.0504	NA	KEGG	NA	NA
+C05042	Phosphinothricin	C5H12NO4P	181.0504	NA	KEGG	NA	NA
+C05046	Protein(Arg,Arg-Pro)	C5H12NO4P	181.0504	NA	KEGG	NA	NA
+C05047	Protein(Arg-,Lys-,Phe-)	C5H12NO4P	181.0504	NA	KEGG	NA	NA
+C05048	Protein(Gly-,Ala-,Val-,Leu-,Ile-)	C5H12NO4P	181.0504	NA	KEGG	NA	NA
+C05049	Protein(Phe-,Leu)	C5H12NO4P	181.0504	NA	KEGG	NA	NA
+CJpos0437	Nicotinuric acid isomer [(M+H)]+ (13C)	C713CH9N2O3	181.056275	C18rt(min)=5.31 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0437	Nicotinuric acid isomer [(M+H)]+ (13C)	C713CH9N2O3	181.056275	C18rt(min)=5.31 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06037	8-Hydroxy-7-methylguanine	C6H7N5O2	181.05997	http://www.hmdb.ca/metabolites/HMDB06037	HMDB	NA	NA
+HMDB06037	8-Hydroxy-7-methylguanine	C6H7N5O2	181.05997	HMDB06037	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06037	8-Hydroxy-7-methylguanine	C6H7N5O2	181.059982	NA	HMDB2010	NA	NA
+CJpos0438	Hippuric acid [(M+H)]+ (18O)	C9H10NO218O	181.061975	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0438	Hippuric acid [(M+H)]+ (18O)	C9H10NO218O	181.061975	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0269	Hippuric acid [(M-H)]- (18O)	C9H8NO218O	181.063025	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0269	Hippuric acid [(M-H)]- (18O)	C9H8NO218O	181.063025	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005069	Naphtho[2,1-e]-1,2,4-triazine 	C11H7N3	181.063997	NA	MeJP	NA	NA
+CJneg0270	Hexose [(M-H)]- (13C)	C513CH11O6	181.067325	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0270	Hexose [(M-H)]- (13C)	C513CH11O6	181.067325	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0439	Paraxanthine Theophylline [(M+H)]+ (13C)	C613CH9N4O2	181.067575	C18rt(min)=5.1 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0440	Theobromine [(M+H)]+ (13C)	C613CH9N4O2	181.067575	C18rt(min)=4.79 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0439	Paraxanthine § Theophylline [(M+H)]+ (13C)	C613CH9N4O2	181.067575	C18rt(min)=5.1 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0440	Theobromine [(M+H)]+ (13C)	C613CH9N4O2	181.067575	C18rt(min)=4.79 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR418	Tyrosine F1	NA	181.072675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR418	Tyrosine F1	NA	181.072675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR418	Tyrosine F1	NA	181.072675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR418	Tyrosine F1	NA	181.072675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR418	Tyrosine F1	C9H11NO3	181.072675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH101	Tyrosine [M+H]+	C9H11NO3	181.0729	1.65	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH101	Tyrosine [M+H]+	C9H11NO3	181.0729	1.65	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH101	Tyrosine [M+H]+	C9H11NO3	181.0729	1.65	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH101	Tyrosine [M+H]+	C9H11NO3	181.0729	1.65	Inhousejuil11	NA	NA
+CJpos0441	L-Threo-3-Phenylserine [M+H]+	C9H12O3N	181.073375	C18rt(min)=2.1 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0442	Tyrosine [M+H]+	C9H12O3N	181.073375	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0443	Tyrosine isomer [(M+H)]+	C9H12NO3	181.073375	C18rt(min)=6.02 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0450	Tyrosine [M+H]+ (13C)	C8[13]CH12O3N	181.073375	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0441	L-Threo-3-Phenylserine [M+H]+	C9H12O3N	181.073375	C18rt(min)=2.1 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0442	Tyrosine [M+H]+	C9H12O3N	181.073375	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0443	Tyrosine isomer [(M+H)]+	C9H12NO3	181.073375	C18rt(min)=6.02 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0450	Tyrosine [M+H]+ (13C)	C8[13]CH12O3N	181.073375	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+7490	ACE inhibitor	GTW	181.0735	MH2+	Inhouse_peptide	NA	peptide
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB00158	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB00158	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB00158	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB00158	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB00158	HMDB	NA	NA
+HMDB01119	4-Hydroxy-4-(3-pyridyl)-butanoic acid	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB01119	HMDB	NA	NA
+HMDB02184	L-Threo-3-Phenylserine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB02184	HMDB	NA	NA
+HMDB03831	beta-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB03831	HMDB	NA	NA
+HMDB06050	o-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB06050	HMDB	NA	NA
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	http://www.hmdb.ca/metabolites/HMDB00158	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00158	L-Tyrosine	C9H11NO3	181.07388	HMDB00158	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01119	4-Hydroxy-4-(3-pyridyl)-butanoic acid	C9H11NO3	181.07388	HMDB01119	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02184	L-Threo-3-Phenylserine	C9H11NO3	181.07388	HMDB02184	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03831	beta-Tyrosine	C9H11NO3	181.07388	HMDB03831	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06050	o-Tyrosine	C9H11NO3	181.07388	HMDB06050	PFEM_hmdb_metabocards_official	NA	NA
+MJ005070	3-Amino-3-(4-hydroxyphenyl)propanoate 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005071	L-Tyrosine 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005072	Tyrosine 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005073	2-Amino-3-(2-hydroxyphenyl)propanoic acid 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005074	2-Amino-3-(3-hydroxyphenyl)propanoic acid 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005075	3-Amino-4-hydroxybenzoic acid; Et ester 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005076	4-(2-Nitroethyl)phenol; Me ether 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005077	4-Amino-2-hydroxybenzoic acid; Et ester 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005078	5-(1-Hydroxyethyl)-3-pyridinecarboxylic acid; Me ester 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005079	Adrenalone 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005080	Erbstatin; 1',2'-Dihydro 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005081	N-Hydroxyphenylalanine 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005082	Styramate 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MJ005083	Tyrosine 	C9H11NO3	181.073893	NA	MeJP	NA	NA
+MetaCyc01560	D-tyrosine [2-amino-3-(4-hydroxyphenyl)-propanoic acid;]	C9H11N1O3	181.073893	NA	metacyc	NA	NA
+MetaCyc01561	&alpha;-aminooxy-&beta;-phenylpropionate []	C9H11N1O3	181.073893	NA	metacyc	NA	NA
+MetaCyc01562	L-threo-3-Phenylserine []	C9H11N1O3	181.073893	NA	metacyc	NA	NA
+MetaCyc01563	4-hydroxy-4-(3-pyridyl)-butanoate [4-hydroxy-4-(3-pyridyl)-butanoic acid;&gamma;-(3-pyridyl)-&gamma;-hydroxybutyric acid;4-(3-pyridyl)-4-hydroxybutyric acid;]	C9H11N1O3	181.073893	NA	metacyc	NA	NA
+MetaCyc01564	3-amino-3-(4-hydroxyphenyl)propanoate []	C9H11N1O3	181.073893	NA	metacyc	NA	NA
+MetaCyc01565	L-tyrosine [Y;tyr;tyrosine;]	C9H11N1O3	181.073893	60-18-4	metacyc	NA	NA
+HMDB00158	L-Tyrosine	C9H11NO3	181.073898	NA	HMDB2010	NA	NA
+HMDB01119	4-Hydroxy-4-(3-pyridyl)-butanoic acid	C9H11NO3	181.073898	NA	HMDB2010	NA	NA
+HMDB02184	L-Threo-3-Phenylserine	C9H11NO3	181.073898	NA	HMDB2010	NA	NA
+HMDB03831	Beta-Tyrosine	C9H11NO3	181.073898	NA	HMDB2010	NA	NA
+HMDB06050	o-Tyrosine	C9H11NO3	181.073898	NA	HMDB2010	NA	NA
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	PFEM_hmdb_metabocards_urine	NA	urine
+EUR033	L-Tyrosine	C9H11NO3	181.0739	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR627	Tyrosine 	[M+H]+	181.0739	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR033	L-Tyrosine	C9H11NO3	181.0739	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR627	Tyrosine 	[M+H]+	181.0739	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR033	L-Tyrosine	C9H11NO3	181.0739	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR627	Tyrosine 	[M+H]+	181.0739	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	HMDB	NA	NA
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	Inhouse_PFEM	NA	NA
+LABER005	Tyrosine	C9H11NO3	181.0739	182.0811	Inhouse_sept12	NA	NA
+EUR033	L-Tyrosine	C9H11NO3	181.0739	Wishlist	Inhousejuil11	NA	NA
+EUR627	Tyrosine 	[M+H]+	181.0739	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	Inhousejuil11	NA	NA
+C00082	L-Tyrosine	C9H11NO3	181.0739	NA	KEGG	NA	NA
+C01536	DL-Tyrosine	C9H11NO3	181.0739	NA	KEGG	NA	NA
+C03290	L-threo-3-Phenylserine	C9H11NO3	181.0739	NA	KEGG	NA	NA
+C04368	3-Amino-3-(4-hydroxyphenyl)propanoate	C9H11NO3	181.0739	NA	KEGG	NA	NA
+C06420	D-Tyrosine	C9H11NO3	181.0739	NA	KEGG	NA	NA
+PJ000025	Y 	C9H11NO3	181.0739	NA	PeJP	NA	NA
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	PFEM_hmdb_metabocards_blood	NA	blood
+LABER005	Tyrosine	C9H11NO3	181.0739	RT 2.93 fragt 182, 136, 77, 91, 119	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00158	L-Tyrosine	C9H11NO3	181.0739	NA  ;SYN:3-Sulphino-L-alanine; Cysteine sulfinic acid; Cysteine sulfinate; 3-sulfino- Alanine; 3-Sulfino-L-alanine; L-cysteinesulfinic acid; L-cysteine sulfinic acid; Cysteine hydrogen sulfite ester; Alanine 3-sulfinic acidH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+EUR558	Tyrosine	[M+H]+	181.074175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR558	Tyrosine	[M+H]+	181.074175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR558	Tyrosine	[M+H]+	181.074175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR558	Tyrosine	[M+H]+	181.074175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+CJneg0271	Tyrosine isomer [(M-H)]-	C9H10NO3	181.074425	C18rt(min)=6.02 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0271	Tyrosine isomer [(M-H)]-	C9H10NO3	181.074425	C18rt(min)=6.02 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	181.085129	MH2+	Inhouse_peptide	NA	peptide
+PFEM055F1	L-Tyrosine	F1	181.0862	NA	Inhouse_original	NA	NA
+MJ005084	Acetylcholine(1+); Chloride 	C7H16ClNO2	181.086956	NA	MeJP	NA	NA
+C08201	Acetylcholine chloride	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08202	Transferred to D01000	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08203	Transferred to D01001	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08204	Transferred to D01002	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08205	Transferred to D01003	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08206	Transferred to D01004	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08207	Transferred to D01005	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08208	Transferred to D01006	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08209	Transferred to D01007	C7H16NO2	181.087	NA	KEGG	NA	NA
+C08210	Transferred to D01008	C7H16NO2	181.087	NA	KEGG	NA	NA
+MJ005085	1-Methyl-9H-carbazole 	C13H11N	181.089149	NA	MeJP	NA	NA
+MJ005086	3-Methyl-9H-carbazole 	C13H11N	181.089149	NA	MeJP	NA	NA
+HMDB02249	6-methyltetrahydropterin	C7H11N5O	181.096359	NA	HMDB2010	NA	NA
+HMDB02249	6-methyltetrahydropterin	C7H11N5O	181.09636	http://www.hmdb.ca/metabolites/HMDB02249	HMDB	NA	NA
+HMDB02249	6-methyltetrahydropterin	C7H11N5O	181.09636	HMDB02249	PFEM_hmdb_metabocards_official	NA	NA
+C07410	Pyridostigmine	C9H13N2O2	181.0977	NA	KEGG	NA	NA
+MJ005087	2-Amino-1-(3-hydroxyphenyl)ethanol, N-Et 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005088	2-Nitro-p-mentha-1,5-diene 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005089	3,3-Diethyl-5-methyl-2,4(1H,3H)-pyridinedione 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005090	3,4-Dimethoxyphenethylamine 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005091	4-Hydroxy-3-methoxyphenethylamine; N-Me 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005092	6-Nitro-p-mentha-1(7),2-diene 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005093	Dopamine; N,N-Di-Me 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005094	Hexapropymate 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005095	Oxilofrine 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005096	Synephrine, 4-Me ether 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005097	Synephrine, ?-Me ether 	C10H15NO2	181.110278	NA	MeJP	NA	NA
+MJ005098	Azepexole 	C9H15N3O	181.121512	NA	MeJP	NA	NA
+MJ005099	2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro[4.5]decane 	C11H19NO	181.146664	NA	MeJP	NA	NA
+MJ005100	?4a-Dehydroskytanthine; 7?-Hydroxy 	C11H19NO	181.146664	NA	MeJP	NA	NA
+MJ005101	Incarvilline; 4,5,8-Triepimer, 7-ketone 	C11H19NO	181.146664	NA	MeJP	NA	NA
+MJ005102	Incarvilline; 8,9-Diepimer, 7-ketone 	C11H19NO	181.146664	NA	MeJP	NA	NA
+MJ005103	Kopsone 	C11H19NO	181.146664	NA	MeJP	NA	NA
+MJ005104	Polonicumtoxin C 	C11H19NO	181.146664	NA	MeJP	NA	NA
+MJ005105	1-(Cyclohexylmethyl)piperidine 	C12H23N	181.183049	NA	MeJP	NA	NA
+MJ005106	3,5-Dodecadien-2-amine 	C12H23N	181.183049	NA	MeJP	NA	NA
+MJ005107	Dendrobates Alkaloid 181A 	C12H23N	181.183049	NA	MeJP	NA	NA
+MJ005108	Dendrobates Alkaloid 181B 	C12H23N	181.183049	NA	MeJP	NA	NA
+MJ005109	Dimecamine 	C12H23N	181.183049	NA	MeJP	NA	NA
+C14686	Dicyclohexylamine	C12H23N	181.1831	NA	KEGG	NA	NA
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	PFEM_hmdb_metabocards_urine	NA	urine
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	HMDB	NA	NA
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	Inhouse_PFEM	NA	NA
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	PFEM_hmdb_metabocards_blood	NA	blood
+TEST010	Phenylalanine : (ortho/)meta-tyrosine	C9H11NO3	181.19	Merck index 9494	PFEM_hmdb_metabocards_official	NA	NA
+7908	synthetic peptide	AHH	181.5765	MH2+	Inhouse_peptide	NA	peptide
+7983	synthetic peptide	HAH	181.5765	MH2+	Inhouse_peptide	NA	peptide
+MJ005110	Magnesium bromide (MgBr2) 	Br2Mg	181.821717	NA	MeJP	NA	NA
+MJ005111	Zinc acetate 	C4H6O4Zn	181.955755	NA	MeJP	NA	NA
+MJ005112	2,3-Dimercaptobutanedioic acid 	C4H6O4S2	181.97075	NA	MeJP	NA	NA
+C07598	Succimer	C4H6O4S2	181.9708	NA	KEGG	NA	NA
+HMDB04119	Selenohomocysteine	C4H8NO2Se	181.97202	http://www.hmdb.ca/metabolites/HMDB04119	HMDB	NA	NA
+HMDB04119	Selenohomocysteine	C4H8NO2Se	181.97202	HMDB04119	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01566	selenohomocysteine [2-amino-4-selanyl-butanoic acid;]	C4H8N1O2SE1	181.972025	NA	metacyc	NA	NA
+EUR652	Selenomethionine [M+H-H2O]+	NA	181.978775	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR652	Selenomethionine [M+H-H2O]+	NA	181.978775	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR652	Selenomethionine [M+H-H2O]+	NA	181.978775	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR652	Selenomethionine [M+H-H2O]+	NA	181.978775	1.31	Inhousejuil11	NA	NA
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR356	Flavine adenine dinucleotide F6	NA	181.979375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR356	Flavine adenine dinucleotide F6	NA	181.979375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR356	Flavine adenine dinucleotide F6	NA	181.979375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR356	Flavine adénine dinucléotide F6	F6	181.979375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR356	Flavine adenine dinucleotide F6	NA	181.979375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR356	Flavine adenine dinucleotide F6	F6	181.979375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR447	Flavine Mononucleotide F5	NA	181.979875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR447	Flavine Mononucleotide F5	NA	181.979875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR447	Flavine Mononucleotide F5	NA	181.979875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR447	Flavine Mononucléotide F5	F5	181.979875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR447	Flavine Mononucleotide F5	NA	181.979875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR447	Flavine Mononucleotide F5	F5	181.979875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ005113	Chlorazodin 	C2H4Cl2N6	181.987449	NA	MeJP	NA	NA
+MJ005114	Methyl 3-(methylthio)-1-propenyl disulfide, 7-Oxide 	C5H10OS3	181.989377	NA	MeJP	NA	NA
+C17941	2-Oxo-4-phosphonobutanoate	C4H7O6P	181.998	NA	KEGG	NA	NA
+MJ005115	Bis(2,2,2-trifluoroethyl) ether 	C4H4F6O	182.016633	NA	MeJP	NA	NA
+MetaCyc01567	1,3-dinitroglycerol [1,2,3-propanetriol 1,3-dinitrate;glycerol-1,3-dinitrate;]	C3H6N2O7	182.017501	623-87-0	metacyc	NA	NA
+MetaCyc01568	1,2-dinitroglycerol [1,2,3-propanetriol 1,2-dinitrate;glycerol-1,2-dinitrate;]	C3H6N2O7	182.017501	621-65-8	metacyc	NA	NA
+MJ005116	2-(1,3-Butadiynyl)-5-(3-buten-1-ynyl)thiophene 	C12H6S	182.01902	NA	MeJP	NA	NA
+C01853	Stipitatate	C8H6O5	182.0215	NA	KEGG	NA	NA
+C06680	4-Hydroxyphthalate	C8H6O5	182.0215	NA	KEGG	NA	NA
+C12325	3,5-Dihydroxyphenylglyoxylate	C8H6O5	182.0215	NA	KEGG	NA	NA
+C14097	2-Hydroxyisophthalic acid	C8H6O5	182.0215	NA	KEGG	NA	NA
+MJ005117	4-Hydroxyphthalate 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MJ005118	2-(2,5-Dihydroxyphenyl)-2-oxoacetic acid 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MJ005119	2-(3,4-Dihydroxyphenyl)-2-oxoacetic acid 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MJ005120	2-Hydroxy-1,4-benzenedicarboxylic acid 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MJ005121	3,4,5-Trihydroxy-1,2-benzenedicarboxaldehyde 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MJ005122	5-Hydroxy-1,3-benzenedicarboxylic acid 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MJ005123	Stipitatic acid 	C8H6O5	182.021523	NA	MeJP	NA	NA
+MetaCyc01569	stipitatate []	C8H6O5	182.021523	4440-39-5	metacyc	NA	NA
+MJ005124	Ethyl 1-(ethylthio)ethyl disulfide 	C6H14S3	182.025762	NA	MeJP	NA	NA
+MJ005125	2-Amino-5-nitrobenzoic acid 	C7H6N2O4	182.032756	NA	MeJP	NA	NA
+MJ005126	4-Amino-2,3-pyridinedicarboxylic acid 	C7H6N2O4	182.032756	NA	MeJP	NA	NA
+MJ005127	4-Amino-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxamide; 5-Ketone 	C7H6N2O4	182.032756	NA	MeJP	NA	NA
+C11006	2,4-Dinitrotoluene	C7H6N2O4	182.0328	NA	KEGG	NA	NA
+C11008	2,6-Dinitrotoluene	C7H6N2O4	182.0328	NA	KEGG	NA	NA
+C14306	Nitrofurylacrylamide	C7H6N2O4	182.0328	NA	KEGG	NA	NA
+MetaCyc01570	acenaphthenequinone []	C12H6O2	182.036779	NA	metacyc	NA	NA
+C02807	Acenaphthenequinone	C12H6O2	182.0368	NA	KEGG	NA	NA
+CJpos0444	5-Methylthioribose [(M+H)]+ (34S)	C6H13O4S034S	182.040875	C18rt(min)=1.09 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0444	5-Methylthioribose [(M+H)]+ (34S)	C6H13O4S034S	182.040875	C18rt(min)=1.09 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0445	1-methyluric acid [(M+H)]+	C6H7N4O3	182.043475	C18rt(min)=4.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0445	1-methyluric acid [(M+H)]+	C6H7N4O3	182.043475	C18rt(min)=4.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03099	1-Methyluric acid	C6H6N4O3	182.04399	http://www.hmdb.ca/metabolites/HMDB03099	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01970	3-Methyluric acid	C6H6N4O3	182.04399	http://www.hmdb.ca/metabolites/HMDB01970	HMDB	NA	NA
+HMDB01973	9-Methyluric acid	C6H6N4O3	182.04399	http://www.hmdb.ca/metabolites/HMDB01973	HMDB	NA	NA
+HMDB03099	1-Methyluric acid	C6H6N4O3	182.04399	http://www.hmdb.ca/metabolites/HMDB03099	HMDB	NA	NA
+HMDB03099	1-Methyluric acid	C6H6N4O3	182.04399	http://www.hmdb.ca/metabolites/HMDB03099	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01970	3-Methyluric acid	C6H6N4O3	182.04399	HMDB01970	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01973	9-Methyluric acid	C6H6N4O3	182.04399	HMDB01973	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03099	1-Methyluric acid	C6H6N4O3	182.04399	HMDB03099	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01970	3-Methyluric acid	C6H6N4O3	182.043991	NA	HMDB2010	NA	NA
+HMDB01973	9-Methyluric acid	C6H6N4O3	182.043991	NA	HMDB2010	NA	NA
+HMDB03099	1-Methyluric acid	C6H6N4O3	182.043991	NA	HMDB2010	NA	NA
+HMDB11107	7-Methyluric acid	C6H6N4O3	182.043991	NA	HMDB2010	NA	NA
+C16355	7-Methyluric acid	C6H6N4O3	182.044	NA	KEGG	NA	NA
+C16359	1-Methyluric acid	C6H6N4O3	182.044	NA	KEGG	NA	NA
+CJneg0272	1-methyluric acid [(M-H)]-	C6H5N4O3	182.044525	C18rt(min)=4.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0272	1-methyluric acid [(M-H)]-	C6H5N4O3	182.044525	C18rt(min)=4.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0273	Glutamine [M+Cl]-	C5H10O3N2Cl	182.046325	C18rt(min)=0.87 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0273	Glutamine [M+Cl]-	C5H10O3N2Cl	182.046325	C18rt(min)=0.87 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005128	3-(2-Thienyl)piperazinone 	C8H10N2OS	182.051383	NA	MeJP	NA	NA
+CJpos0446	2,2-dimethylglutaric acid [(M+Na)]+	C7H12NaO4	182.054975	C18rt(min)=6.04 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0447	Mono-methyl-adipate [(M+Na)]+	C7H12NaO4	182.054975	C18rt(min)=6.27 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0448	Mono-methyl-adipate isomer [(M+Na)]+	C7H12NaO4	182.054975	C18rt(min)=4.38 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0446	2,2-dimethylglutaric acid [(M+Na)]+	C7H12NaO4	182.054975	C18rt(min)=6.04 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0447	Mono-methyl-adipate [(M+Na)]+	C7H12NaO4	182.054975	C18rt(min)=6.27 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0448	Mono-methyl-adipate isomer [(M+Na)]+	C7H12NaO4	182.054975	C18rt(min)=4.38 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03672	3-(4-Hydroxyphenyl)lactate	C9H10O4	182.0579	NA	KEGG	NA	NA
+C03964	(R)-3-(4-Hydroxyphenyl)lactate	C9H10O4	182.0579	NA	KEGG	NA	NA
+C04044	3-(2,3-Dihydroxyphenyl)propanoate	C9H10O4	182.0579	NA	KEGG	NA	NA
+C05582	Homovanillate	C9H10O4	182.0579	NA	KEGG	NA	NA
+C05583	3-Methoxy-4-hydroxyphenylglycolaldehyde	C9H10O4	182.0579	NA	KEGG	NA	NA
+C10447	3,4-Dihydroxyphenylpropanoate	C9H10O4	182.0579	NA	KEGG	NA	NA
+C10680	2',6'-Dihydroxy-4'-methoxyacetophenone	C9H10O4	182.0579	NA	KEGG	NA	NA
+C12622	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol	C9H10O4	182.0579	NA	KEGG	NA	NA
+HMDB00118	Homovanillic acid	C9H10O4	182.057907	NA	HMDB2010	NA	NA
+HMDB00333	Isohomovanillic acid	C9H10O4	182.057907	NA	HMDB2010	NA	NA
+HMDB00423	3,4-Dihydroxyhydrocinnamic acid	C9H10O4	182.057907	NA	HMDB2010	NA	NA
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.057907	NA	HMDB2010	NA	NA
+HMDB02643	3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	C9H10O4	182.057907	NA	HMDB2010	NA	NA
+HMDB04061	3-Methoxy-4-hydroxyphenylglycolaldehyde	C9H10O4	182.057907	NA	HMDB2010	NA	NA
+MJ005129	3-(2,3-Dihydroxyphenyl)propanoate 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005130	3-(4-Hydroxyphenyl)lactate 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005131	3-Methoxy-4-hydroxyphenylacetate 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005132	3-Methoxy-4-hydroxyphenylglycolaldehyde 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005133	Homovanillate 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005134	(2,4-Dihydroxyphenyl)acetic acid; Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005135	(2,5-Dihydroxyphenyl)acetic acid; Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005136	1,2-Ethanediol; Mono(4-hydroxybenzoyl) 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005137	1,3-Dihydro-4,5,7-trihydroxy-6-methylisobenzofuran 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005138	1-(2,4,6-Trihydroxyphenyl)-1-propanone 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005139	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005140	2',3',4'-Trihydroxyacetophenone; 4'-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005141	2',3',6'-Trihydroxyacetophenone; 2'-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005142	2',4',5'-Trihydroxyacetophenone; 4'-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005143	2',4',6'-Trihydroxyacetophenone; 2'-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005144	2',4',6'-Trihydroxyacetophenone; 4'-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005145	2,3',4'-Trihydroxyacetophenone; 3'-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005146	2,3,4-Trihydroxy-2,4,6-cycloheptatrien-1-one; 3,4-Di-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005147	2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone; Mono-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005148	2,3-Dihydroxy-5-methyl-1,4-benzoquinone; Di-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005149	2,4,5-Trihydroxybenzaldehyde; 2-Et ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005150	2,4-Dihydroxy-3,6-dimethylbenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005151	2,4-Dihydroxy-6-methylbenzoic acid; 2-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005152	2,4-Dihydroxy-6-methylbenzoic acid; 4-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005153	2,4-Dihydroxybenzoic acid; 2-Me ether, Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005154	2,4-Dihydroxybenzoic acid; 4-Me ether, Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005155	2,4-Dihydroxybenzoic acid; Et ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005156	2,4-Dimethoxybenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005157	2,5-Dihydroxybenzoic acid; 5-Me ether, Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005158	2,6-Dihydroxy-3,5-dimethyl-1,4-benzoquinone; Mono-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005159	2,6-Dimethoxybenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005160	2-Ethyl-4,6-dihydroxybenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005161	2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005162	2-Hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005163	2-Hydroxybenzoic acid; 2-Hydroxyethyl ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005164	2-Hydroxybenzoic acid; Methoxymethyl ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005165	3,4,5-Trihydroxybenzaldehyde; 3,5-Di-Me ether 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005166	3,4-Dihydroxybenzoic acid; 3-Me ether, Me ester 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005167	3,4-Dimethoxybenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005168	3,5-Dimethoxybenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005169	3-(3,4-Dihydroxyphenyl)propanoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005170	4,6-Dihydroxy-2,3-dimethylbenzoic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005171	5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; 2'-Oxo 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005172	Carolic acid 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005173	Ethisolide 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005174	Methylenomycin A 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005175	Palasonin 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005176	Vermopyrone 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MJ005177	Xylobovide 	C9H10O4	182.057908	NA	MeJP	NA	NA
+MetaCyc01571	homovanillate [homovanillic acid;vanillacetic acid;3-methoxy-4-hydroxyphenylacetate;3-methoxy-4-hydroxyphenylacetic acid;4-hydroxy-3-methoxyphenylacetic acid;4-hydroxy-3-methoxybenzenacetic acid;]	C9H10O4	182.057909	NA	metacyc	NA	NA
+MetaCyc01572	R(+)-4-hydroxyphenyllactate [R(+)-4-hydroxyphenyllactic acid;]	C9H10O4	182.057909	NA	metacyc	NA	NA
+MetaCyc01573	(R)-3-(4-hydroxyphenyl)lactate []	C9H10O4	182.057909	NA	metacyc	NA	NA
+MetaCyc01574	3-(4-hydroxyphenyl)lactate [4-hydroxyphenyllactate;p-hydroxyphenyllactate;]	C9H10O4	182.057909	NA	metacyc	NA	NA
+MetaCyc01575	3-(2,3-dihydroxyphenyl)propionate [3-(2,3-dihydroxyphenyl)propionic acid;2,3-DHP;3-(2,3-Dihydroxyphenyl)propanoate;]	C9H10O4	182.057909	NA	metacyc	NA	NA
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00118	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00755	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00118	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00423	3,4-Dihydroxyhydrocinnamic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00423	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00755	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00118	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00755	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00118	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00755	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00118	HMDB	NA	NA
+HMDB00333	Isohomovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00333	HMDB	NA	NA
+HMDB00423	3,4-Dihydroxyhydrocinnamic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00423	HMDB	NA	NA
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00755	HMDB	NA	NA
+HMDB02643	3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB02643	HMDB	NA	NA
+HMDB04061	3-Methoxy-4-hydroxyphenylglycolaldehyde	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB04061	HMDB	NA	NA
+HMDB06776	3-Methoxy-4-hydroxy-phenylglycolaldehyde  	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB06776	HMDB	NA	NA
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00118	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00423	3,4-Dihydroxyhydrocinnamic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00423	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	http://www.hmdb.ca/metabolites/HMDB00755	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00118	Homovanillic acid	C9H10O4	182.05791	HMDB00118	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00333	Isohomovanillic acid	C9H10O4	182.05791	HMDB00333	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00423	3,4-Dihydroxyhydrocinnamic acid	C9H10O4	182.05791	HMDB00423	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00755	Hydroxyphenyllactic acid	C9H10O4	182.05791	HMDB00755	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02643	3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	C9H10O4	182.05791	HMDB02643	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04061	3-Methoxy-4-hydroxyphenylglycolaldehyde	C9H10O4	182.05791	HMDB04061	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06776	3-Methoxy-4-hydroxy-phenylglycolaldehyde  	C9H10O4	182.05791	HMDB06776	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0274	Hydroxyphenyllactic acid [(M-H)]-	C9H9O4	182.058425	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0275	Isohomovanillic acid [(M-H)]-	C9H9O4	182.058425	C18rt(min)=6.18 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0276	Homovanillic acid [M-H]-	C9H9O4	182.058425	C18rt(min)=6.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0274	Hydroxyphenyllactic acid [(M-H)]-	C9H9O4	182.058425	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0275	Isohomovanillic acid [(M-H)]-	C9H9O4	182.058425	C18rt(min)=6.18 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0276	Homovanillic acid [M-H]-	C9H9O4	182.058425	C18rt(min)=6.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005178	2-Deoxy-2-fluoroglucose 	C6H11FO5	182.059051	NA	MeJP	NA	NA
+MJ005179	1,2,4-Triazino[5,6-c]quinoline 	C10H6N4	182.059246	NA	MeJP	NA	NA
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	PFEM_hmdb_metabocards_urine	NA	urine
+JH105	Homovanillic acid [M+H]+	C9H10O4	182.0611	11.27	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH105	Homovanillic acid [M+H]+	C9H10O4	182.0611	11.27	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH105	Homovanillic acid [M+H]+	C9H10O4	182.0611	11.27	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	HMDB	NA	NA
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	Inhouse_PFEM	NA	NA
+JH105	Homovanillic acid [M+H]+	C9H10O4	182.0611	11.27	Inhousejuil11	NA	NA
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	PFEM_hmdb_metabocards_blood	NA	blood
+JH105	Homovanillic acid 	C9H10O4	182.0611	Rtobs11.27	PFEM_hmdb_metabocards_official	NA	NA
+MJ005180	1-Hexanol; O-Sulfate 	C6H14O4S	182.061279	NA	MeJP	NA	NA
+MJ005181	1,3-Dimethyl-6-oxiranyl-2,4(1H,3H)-pyrimidinedione 	C8H10N2O3	182.069142	NA	MeJP	NA	NA
+MJ005182	2-(4-Hydroxy-3-nitrophenyl)ethylamine 	C8H10N2O3	182.069142	NA	MeJP	NA	NA
+MJ005183	3-(2-Oxo-5-pyridinyl)alanine 	C8H10N2O3	182.069142	NA	MeJP	NA	NA
+MJ005184	?-Amino-5-hydroxy-2-pyridinepropanoic acid 	C8H10N2O3	182.069142	NA	MeJP	NA	NA
+MJ005185	Choline phosphate 	C6H15O4P	182.070795	NA	MeJP	NA	NA
+MetaCyc01576	diisopropyl phosphate [2-(hydroxy-isopropoxy-phosphinoyl)oxypropane;]	C6H15O4P1	182.070795	NA	metacyc	NA	NA
+MetaCyc01577	triethyl phosphate [phosphoric acid, triethyl ester;TEP;ethyl phosphate;triethoxyphosphine oxide;]	C6H15O4P1	182.070795	78-40-0	metacyc	NA	NA
+C03113	Diisopropyl phosphate	C6H15O4P	182.0708	NA	KEGG	NA	NA
+JH148	Alanyl glutamine [M+H-NH3-H2O]+	NA	182.0717	1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH148	Alanyl glutamine [M+H-NH3-H2O]+	NA	182.0717	1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH148	Alanyl glutamine [M+H-NH3-H2O]+	NA	182.0717	1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH148	Alanyl glutamine [M+H-NH3-H2O]+	NA	182.0717	1.12	Inhousejuil11	NA	NA
+MJ005186	Fluoren-9-ol 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005187	1,3,11-Tridecatriene-5,7,9-triyne; 1,2-Epoxide 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005188	2,10,12-Tridecatriene-4,6,8-triyn-1-ol 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005189	2,3-Dihydro-2-(1-nonene-3,5,7-triynyl)furan 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005190	2,5-Dihydro-2-(6,8-nonadien-2,4-diynylidene)furan 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005191	2-(1,3-Butadienyl)-3-(1,3,5-heptatriynyl)oxirane 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005192	2-(3-Phenyl-1-propynyl)furan 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005193	2-(6,8-Nonadiene-2,4-diynyl)furan 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005194	7-Phenyl-2-heptene-4,6-diyn-1-ol 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005195	Atractylodin 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005196	Benzophenone 	C13H10O	182.073164	NA	MeJP	NA	NA
+MJ005197	Ponticaepoxide 	C13H10O	182.073164	NA	MeJP	NA	NA
+MetaCyc01578	9-fluorenol [9H-fluoren-9-ol;9-hydroxyfluorene;fluoren-9-ol;]	C13H10O1	182.073165	1689-64-1	metacyc	NA	NA
+HMDB13163	2-Hydroxyfluorene	C13H10O	182.073166	NA	HMDB2010	NA	NA
+C01464	Xanthan	C13H10O	182.0732	NA	KEGG	NA	NA
+C06354	Benzophenone	C13H10O	182.0732	NA	KEGG	NA	NA
+C06711	Fluoren-9-ol	C13H10O	182.0732	NA	KEGG	NA	NA
+C08399	Carlina oxide	C13H10O	182.0732	NA	KEGG	NA	NA
+C14460	2-Hydroxyfluorene	C13H10O	182.0732	NA	KEGG	NA	NA
+C16918	Atractylodin	C13H10O	182.0732	NA	KEGG	NA	NA
+CJpos0449	L-Threo-3-Phenylserine [M+H]+ (13C)	C8[13]CH12O3N	182.076675	C18rt(min)=2.1 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0451	Tyrosine isomer [(M+H)]+ (13C)	C813CH12NO3	182.076675	C18rt(min)=6.02 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0449	L-Threo-3-Phenylserine [M+H]+ (13C)	C8[13]CH12O3N	182.076675	C18rt(min)=2.1 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0451	Tyrosine isomer [(M+H)]+ (13C)	C813CH12NO3	182.076675	C18rt(min)=6.02 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0277	Tyrosine isomer [(M-H)]- (13C)	C813CH10NO3	182.077825	C18rt(min)=6.02 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0277	Tyrosine isomer [(M-H)]- (13C)	C813CH10NO3	182.077825	C18rt(min)=6.02 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00392	Mannitol	C6H14O6	182.079	NA	KEGG	NA	NA
+C00393	Fibrinogen	C6H14O6	182.079	NA	KEGG	NA	NA
+C00794	D-Sorbitol	C6H14O6	182.079	NA	KEGG	NA	NA
+C01489	D-Iditol	C6H14O6	182.079	NA	KEGG	NA	NA
+C01490	Dermatan	C6H14O6	182.079	NA	KEGG	NA	NA
+C01491	Factor H	C6H14O6	182.079	NA	KEGG	NA	NA
+C01492	Factor X	C6H14O6	182.079	NA	KEGG	NA	NA
+C01493	Farnesol	C6H14O6	182.079	NA	KEGG	NA	NA
+C01507	L-Iditol	C6H14O6	182.079	NA	KEGG	NA	NA
+C01697	Galactitol	C6H14O6	182.079	NA	KEGG	NA	NA
+C01698	Galactogen	C6H12O6	182.079	NA	KEGG	NA	NA
+C01722	L-Glucitol	C6H14O6	182.079	NA	KEGG	NA	NA
+C01723	Lactenocin	C6H14O6	182.079	NA	KEGG	NA	NA
+MJ005198	Allitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005199	Galactitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005200	Glucitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005201	Iditol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005202	Mannitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005203	Talitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005204	D-Iditol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005205	D-Mannitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005206	D-Sorbitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005207	Galactitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MJ005208	L-Glucitol 	C6H14O6	182.079038	NA	MeJP	NA	NA
+MetaCyc01579	D-sorbitol [L-gulitol;D-glucitol;meglumine;iso-sorbide;glucitol;sorbitol;]	C6H14O6	182.079038	50-70-4	metacyc	NA	NA
+MetaCyc01580	mannitol [D-mannitol;mitobronitol;]	C6H14O6	182.079038	69-65-8	metacyc	NA	NA
+MetaCyc01581	talose [iditol;]	C6H14O6	182.079038	24557-79-7	metacyc	NA	NA
+MetaCyc01582	L-iditol []	C6H14O6	182.079038	488-45-9	metacyc	NA	NA
+MetaCyc01583	D-Iditol []	C6H14O6	182.079038	25878-23-3	metacyc	NA	NA
+MetaCyc01584	galactitol [dulcitol;dulcite;dulcose;]	C6H14O6	182.079038	608-66-2	metacyc	NA	NA
+HMDB00107	Galactitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00107	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00765	Mannitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00765	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00107	Galactitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00107	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00247	Sorbitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00247	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00765	Mannitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00765	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00107	Galactitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00107	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00765	Mannitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00765	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00107	Galactitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00107	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00765	Mannitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00765	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00107	Galactitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00107	HMDB	NA	NA
+HMDB00247	Sorbitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00247	HMDB	NA	NA
+HMDB00765	Mannitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00765	HMDB	NA	NA
+HMDB00107	Galactitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00107	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00247	Sorbitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00247	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00765	Mannitol	C6H14O6	182.07904	http://www.hmdb.ca/metabolites/HMDB00765	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00107	Galactitol	C6H14O6	182.07904	HMDB00107	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00247	Sorbitol	C6H14O6	182.07904	HMDB00247	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00765	Mannitol	C6H14O6	182.07904	HMDB00765	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00107	Galactitol	C6H14O6	182.079041	NA	HMDB2010	NA	NA
+HMDB00247	Sorbitol	C6H14O6	182.079041	NA	HMDB2010	NA	NA
+HMDB00765	Mannitol	C6H14O6	182.079041	NA	HMDB2010	NA	NA
+HMDB11632	L-Iditol	C6H14O6	182.079041	NA	HMDB2010	NA	NA
+CJneg0278	Mannitol (and isomers) [(M-H)]-	C6H13O6	182.079625	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0278	Mannitol (and isomers) [(M-H)]-	C6H13O6	182.079625	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005209	Lathyrine 	C7H10N4O2	182.080375	NA	MeJP	NA	NA
+C08290	L-Lathyrine	C7H10N4O2	182.0804	NA	KEGG	NA	NA
+MJ005210	Carbamoylcholine(1+); Chloride 	C6H15ClN2O2	182.082205	NA	MeJP	NA	NA
+MJ005211	1-Methyl-?-carboline 	C12H10N2	182.084398	NA	MeJP	NA	NA
+MJ005212	?-Carboline; N2-Me 	C12H11N2(+)	182.084398	NA	MeJP	NA	NA
+C09209	Harman	C12H10N2	182.0844	NA	KEGG	NA	NA
+MJ005213	3-(2-Azetidinylmethoxy)-2-fluoropyridine 	C9H11FN2O	182.085541	NA	MeJP	NA	NA
+MJ005214	Eflornithine 	C6H12F2N2O2	182.086684	NA	MeJP	NA	NA
+C07997	Eflornithine	C6H12F2N2O2	182.0867	NA	KEGG	NA	NA
+C07998	Transferred to D00829	C6H12F2N2O2	182.0867	NA	KEGG	NA	NA
+C07494	Soman	C7H16FO2P	182.0872	NA	KEGG	NA	NA
+MJ005215	Dacarbazine 	C6H10N6O	182.091608	NA	MeJP	NA	NA
+MJ005216	Iridotrial 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005217	1-(2,4-Dihydroxyphenyl)-2-propanol, 4'-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005218	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005219	1-(4-Hydroxyphenyl)-1,2-propanediol, 1-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005220	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005221	1-Hydroxy-p-menth-4(8)-en-9,3-olide 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005222	2,2,4,4-Tetramethyl-1,3,5-cyclohexanetrione 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005223	2-Methyl-1,3,5-benzenetriol; Tri-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005224	3-(2-Methylphenoxy)-1,2-propanediol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005225	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005226	3-Ethyl-4-hydroxy-6-isopropyl-2H-pyran-2-one 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005227	4,5-Epoxy-3-hydroxy-2-caranone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005228	4,6-Decadiyne-1,3,8-triol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005229	4-(3,4-Dihydroxyphenyl)-2-butanol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005230	4-Hydroxy-6-(3-methylbutyl)-2H-pyran-2-one 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005231	4-Hydroxy-6-isopropyl-3,5-dimethyl-2H-pyran-2-one 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005232	5,6-Dihydro-6-(4-oxo-2-pentenyl)-2H-pyran-2-one, 7,8-Dihydro 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005233	5-Ethyl-4,6-dimethyl-1,2,3-benzenetriol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005234	5-Hydroxy-4-(4-methyl-3-pentenyl)-2(5H)-furanone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005235	6-Propyl-1,2,4-benzenetriol; 2-Me ether 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005236	9-Oxo-2,7-decadienoic acid 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005237	Asarinol C 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005238	Boschnaloside; Aglucone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005239	Chenopanone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005240	Dihydro-5-(1-hydroxy-2,4-hexadienyl)-2(3H)-furanone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005241	Diplodialide B; 4-Ketone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005242	Paeoniisothujone 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005243	Paeonisuffrone; 8-Deoxy 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005244	Peperinic acid 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005245	Phomapyrone C 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005246	Ramulosin 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005247	[2-(5-Oxo-1-cyclopenten-1-yl)methyl]butanoic acid 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005248	p-Mentha-1,3,5-triene-2,3,6-triol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005249	p-Mentha-1,3,5-triene-2,3,7-triol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005250	p-Mentha-1,3,5-triene-3,8,9-triol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MJ005251	p-Mentha-1,3,5-triene-3,9,10-triol 	C10H14O3	182.094294	NA	MeJP	NA	NA
+MetaCyc01585	dihydroconiferyl alcohol []	C10H14O3	182.094294	NA	metacyc	NA	NA
+MetaCyc01586	2-oxo-&Delta;3-4,5,5-trimethylcyclopentenylacetate [2-oxo-&delta;3-4,5,5-trimethylcyclopentenylacetate;]	C10H14O3	182.094294	NA	metacyc	NA	NA
+MetaCyc01587	5-oxo-1,2-campholide []	C10H14O3	182.094294	NA	metacyc	NA	NA
+MetaCyc01588	1-hydroxy-4-oxahomoadamantan-5-one [4-oxatricyclo-[4.3.13,8]undecan-1-ol-5-one;]	C10H14O3	182.094294	NA	metacyc	NA	NA
+C02952	5-Oxo-1,2-campholide	C10H14O3	182.0943	NA	KEGG	NA	NA
+C06070	Iridotrial	C10H14O3	182.0943	NA	KEGG	NA	NA
+C07159	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate	C10H14O3	182.0943	NA	KEGG	NA	NA
+C10448	Dihydroconiferyl alcohol	C10H14O3	182.0943	NA	KEGG	NA	NA
+C17822	3,4,5-Trimethoxytoluene	C10H14O3	182.0943	NA	KEGG	NA	NA
+C17823	2,4,5-Trimethoxytoluene	C10H14O3	182.0943	NA	KEGG	NA	NA
+C17825	(+/-)-Asarinol B	C10H14O3	182.0943	NA	KEGG	NA	NA
+MJ005252	3-Methylene-6-(1-methylpropyl)-2,5-piperazinedione 	C9H14N2O2	182.105527	NA	MeJP	NA	NA
+MJ005253	3-Methylene-6-(2-methylpropyl)-2,5-piperazinedione 	C9H14N2O2	182.105527	NA	MeJP	NA	NA
+MJ005254	Alaptide 	C9H14N2O2	182.105527	NA	MeJP	NA	NA
+MJ005255	Loline; N-De-Me, N-Ac 	C9H14N2O2	182.105527	NA	MeJP	NA	NA
+MJ005256	Lolineyl 	C9H14N2O2	182.105527	NA	MeJP	NA	NA
+MJ005257	Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one 	C9H14N2O2	182.105527	NA	MeJP	NA	NA
+C14685	1,2-Dihydrostilbene	C14H14	182.1096	NA	KEGG	NA	NA
+MJ005258	2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene; Dihydro 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005259	2,4-Decadienoic acid, Me ester 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005260	2,6-Dimethyl-1,5-heptadien-3-ol, Ac 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005261	2-(1-Propenyl)-4,6-octadiene-1,2-diol 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005262	3,4-Dimethyl-5-pentyl-2(5H)-furanone 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005263	3,7-Dimethyl-2,6-octadien-1-ol, Formyl 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005264	3-Ethyl-1,8-dimethyl-2,9-dioxabicyclo[3.3.1]non-7-ene 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005265	3-Hexyl-5-methyl-2(5H)-furanone 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005266	3-Isopropyl-6-methyl-4,6-heptadien-1-ol, Carboxylic acid 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005267	3-Myodeserten-1-ol, Me ether 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005268	4,8-Decadienoic acid; Me ester 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005269	4-Hexyl-1,3-cyclopentanedione 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005270	5-Methyl-3-(4-methylpentyl)-2(5H)-furanone 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005271	9-Decynoic acid; Me ester 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005272	Nordavanone 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005273	Santolinic acid; Me ester 	C11H18O2	182.130679	NA	MeJP	NA	NA
+MJ005274	Tetrahydroactinidiolide 	C11H18O2	182.130679	NA	MeJP	NA	NA
+C12294	Geranyl formate	C11H18O2	182.1307	NA	KEGG	NA	NA
+C14113	Decahydro-2-naphthoic acid	C11H18O2	182.1307	NA	KEGG	NA	NA
+MJ005275	Guanacline 	C9H18N4	182.153146	NA	MeJP	NA	NA
+MJ005276	1-Dodecen-3-one 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005277	10-Undecyn-2-ol; Me ether 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005278	2-Butyl-2-octenal 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005279	2-Dodecenal 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005280	2-Ethyl-6-isopropyl-3-methyl-1-cyclohexanone 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005281	2-Ethyl-6-isopropyl-3-methylcyclohexanone 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005282	3,5-Dodecadien-1-ol 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005283	3,6-Dodecadien-1-ol 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005284	4,6-Dimethyl-4-decen-3-one 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005285	5,7-Dodecadien-1-ol 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005286	7,9-Dodecadien-1-ol 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005287	7-Dodecenal 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005288	8,10-Dodecadien-1-ol 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005289	9-Dodecenal 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005290	Cyclododecanone 	C12H22O	182.167065	NA	MeJP	NA	NA
+MJ005291	Geosmin 	C12H22O	182.167065	NA	MeJP	NA	NA
+C16286	Geosmin	C12H22O	182.1671	NA	KEGG	NA	NA
+MJ005292	1-Tridecene 	C13H26	182.20345	NA	MeJP	NA	NA
+MJ005293	6-Tridecene 	C13H26	182.20345	NA	MeJP	NA	NA
+7559	ACE inhibitor from buckwheat	PSY	182.5735	MH2+	Inhouse_peptide	NA	peptide
+3558	ACE inhibitor	LAY	182.592	MH2+	Inhouse_peptide	NA	peptide
+8027	synthetic peptide	PHI	182.597	MH2+	Inhouse_peptide	NA	peptide
+8029	synthetic peptide	PHL	182.597	MH2+	Inhouse_peptide	NA	peptide
+MJ005294	2-Bromo-2-nitro-1-propanol 	C3H6BrNO3	182.953105	NA	MeJP	NA	NA
+MJ005295	Benzoselenazole 	C7H5NSe	182.95872	NA	MeJP	NA	NA
+CJneg0279	Taurine (and isomer) [(M-H)+(NaCl)]-	C2H6O3NClNaS	182.973825	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0279	Taurine (and isomer) [(M-H)+(NaCl)]-	C2H6O3NClNaS	182.973825	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB04113	Se-Methylselenocysteine	C4H9NO2Se	182.97984	http://www.hmdb.ca/metabolites/HMDB04113	HMDB	NA	NA
+HMDB04113	Se-Methylselenocysteine	C4H9NO2Se	182.97984	HMDB04113	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04113	Se-Methylselenocysteine	C4H9NO2Se	182.979843	NA	HMDB2010	NA	NA
+HMDB04119	Selenohomocysteine	C4H9NO2Se	182.979843	NA	HMDB2010	NA	NA
+MJ005296	Selenocysteine; Se-Me 	C4H9NO2Se	182.97985	NA	MeJP	NA	NA
+MJ005297	Se-Methylselenocysteine 	C4H9NO2Se	182.97985	NA	MeJP	NA	NA
+MJ005298	Selenohomocysteine 	C4H9NO2Se	182.97985	NA	MeJP	NA	NA
+C05689	Se-Methyl-L-selenocysteine	C4H9NO2Se	182.9799	NA	KEGG	NA	NA
+C05698	Selenohomocysteine	C4H9NO2Se	182.9799	NA	KEGG	NA	NA
+MJ005299	Saccharin 	C7H5NO3S	182.999013	NA	MeJP	NA	NA
+MetaCyc01589	saccharin []	C7H5N1O3S1	182.999014	NA	metacyc	NA	NA
+C14426	Acephate	C4H10NO3PS	183.0119	NA	KEGG	NA	NA
+MetaCyc01590	5-hydroxyisourate []	C5H3N4O4	183.01543	NA	metacyc	NA	NA
+MJ005300	Enaminomycin A 	C7H5NO5	183.016772	NA	MeJP	NA	NA
+C16511	L-Homocysteic acid	C4H9NO5S	183.0201	NA	KEGG	NA	NA
+HMDB02205	L-Homocysteic acid	C4H9NO5S	183.02014	http://www.hmdb.ca/metabolites/HMDB02205	HMDB	NA	NA
+HMDB02205	L-Homocysteic acid	C4H9NO5S	183.02014	HMDB02205	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02205	L-Homocysteic acid	C4H9NO5S	183.020142	NA	HMDB2010	NA	NA
+MJ005301	2-Amino-4-sulfobutanoic acid 	C4H9NO5S	183.020143	NA	MeJP	NA	NA
+MetaCyc01591	L-Methionine sulfone [(S)-Amino-4-(methylsulphonyl)butyric acid;]	C4H9N1O5S1	183.020143	NA	metacyc	NA	NA
+C14713	2,4-Dinitroaniline	C6H5N3O4	183.028	NA	KEGG	NA	NA
+MJ005302	2-Amino-4-phosphonobutanoic acid 	C4H10NO5P	183.029658	NA	MeJP	NA	NA
+MJ005303	Fosmidomycin 	C4H10NO5P	183.029658	NA	MeJP	NA	NA
+MetaCyc01592	fosmidomycin []	C4H10N1O5P1	183.029659	NA	metacyc	NA	NA
+MJ005304	Oxisuran 	C8H9NO2S	183.035399	NA	MeJP	NA	NA
+C17239	p-Hydroxyphenylacetothiohydroximate	C8H9NO2S	183.0354	NA	KEGG	NA	NA
+CJpos0452	1-methyluric acid [(M+H)]+ (13C)	C513CH7N4O3	183.046775	C18rt(min)=4.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0452	1-methyluric acid [(M+H)]+ (13C)	C513CH7N4O3	183.046775	C18rt(min)=4.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0280	1-methyluric acid [(M-H)]- (13C)	C513CH5N4O3	183.047925	C18rt(min)=4.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0280	1-methyluric acid [(M-H)]- (13C)	C513CH5N4O3	183.047925	C18rt(min)=4.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR327	Acide 4-pyridoxique F1	NA	183.052275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR327	Acide 4-pyridoxique F1	NA	183.052275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR327	Acide 4-pyridoxique F1	NA	183.052275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR327	Acide 4-pyridoxique F1	NA	183.052275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR327	4-pyridoxique acid F1	NA	183.052275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0453	4-Pyridoxic acid  isomer [(M+H)]+	C8H10NO4	183.052575	C18rt(min)=5.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0454	4-Pyridoxic acid  isomer [(M+H)]+	C8H10NO4	183.052575	C18rt(min)=4.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0453	4-Pyridoxic acid  isomer [(M+H)]+	C8H10NO4	183.052575	C18rt(min)=5.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0454	4-Pyridoxic acid  isomer [(M+H)]+	C8H10NO4	183.052575	C18rt(min)=4.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005305	1-(4-Hydroxy-3-nitrophenyl)ethanol 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005306	2-(2-Furoyl)alanine 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005307	2-(4-Hydroxy-3-nitrophenyl)ethanol 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005308	2-Amino-2-(3,5-dihydroxyphenyl)acetic acid 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005309	3-Amino-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one, N-Ac 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005310	4-(2-Nitroethyl)-1,2-benzenediol 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005311	Isohematinic acid 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005312	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005313	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MJ005314	4-Pyridoxate 	C8H9NO4	183.053157	NA	MeJP	NA	NA
+MetaCyc01593	4-pyridoxate [4-Pyridoxic acid;]	C8H9N1O4	183.053158	82-82-6	metacyc	NA	NA
+MetaCyc01594	3-hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate [5-pyridoxate;]	C8H9N1O4	183.053158	NA	metacyc	NA	NA
+MetaCyc01595	3-carboxy-4-methoxy-N-methyl-2-pyridone []	C8H9N1O4	183.053158	NA	metacyc	NA	NA
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	HMDB	NA	NA
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	Inhouse_PFEM	NA	NA
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR069	4-Pyridoxic acid	C8H9NO4	183.053159	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	http://www.hmdb.ca/metabolites/HMDB00017	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	http://www.hmdb.ca/metabolites/HMDB00017	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	http://www.hmdb.ca/metabolites/HMDB00017	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	http://www.hmdb.ca/metabolites/HMDB00017	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	http://www.hmdb.ca/metabolites/HMDB00017	HMDB	NA	NA
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	http://www.hmdb.ca/metabolites/HMDB00017	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.05316	HMDB00017	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00017	4-Pyridoxic acid	C8H9NO4	183.053162	NA	HMDB2010	NA	NA
+EUR069	4-Pyridoxic acid	C8H9NO4	183.0532	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR069	4-Pyridoxic acid	C8H9NO4	183.0532	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR069	4-Pyridoxic acid	C8H9NO4	183.0532	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR069	4-Pyridoxic acid	C8H9NO4	183.0532	Wishlist	Inhousejuil11	NA	NA
+C00847	4-Pyridoxate	C8H9NO4	183.0532	NA	KEGG	NA	NA
+C04447	3-Carboxy-4-methoxy-N-methyl-2-pyridone	C8H9NO4	183.0532	NA	KEGG	NA	NA
+C04448	3-Hydroxymethyl ceph-3-em-4-carboxylate	C9H8N2O5SR2	183.0532	NA	KEGG	NA	NA
+C04773	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate	C8H9NO4	183.0532	NA	KEGG	NA	NA
+C04775	D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R	C18H31O16R	183.0532	NA	KEGG	NA	NA
+C04776	Peptide	C18H29N3O13R2	183.0532	NA	KEGG	NA	NA
+C04777	High-mannose glycopeptide containing -{Man(GlcNAc)2}Asn-	C18H29N3O13R2	183.0532	NA	KEGG	NA	NA
+C11466	5-Methoxy-3-hydroxyanthranilate	C8H9NO4	183.0532	NA	KEGG	NA	NA
+C12026	3,5-Dihydroxy-phenylglycine	C8H9NO4	183.0532	NA	KEGG	NA	NA
+CJneg0281	4-Pyridoxic acid  isomer [(M-H)]-	C8H8NO4	183.053725	C18rt(min)=5.6 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0281	4-Pyridoxic acid  isomer [(M-H)]-	C8H8NO4	183.053725	C18rt(min)=5.6 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH146	Alanyl glutamine [M+H-2NH3]+	NA	183.0545	1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH146	Alanyl glutamine [M+H-2NH3]+	NA	183.0545	1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH146	Alanyl glutamine [M+H-2NH3]+	NA	183.0545	1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH146	Alanyl glutamine [M+H-2NH3]+	NA	183.0545	1.12	Inhousejuil11	NA	NA
+C00919	Choline sulfate	C5H13NO4S	183.0565	NA	KEGG	NA	NA
+MJ005315	Choline; Sulfate (inner salt) 	C5H13NO4S	183.056528	NA	MeJP	NA	NA
+MetaCyc01596	choline sulfate []	C5H13N1O4S1	183.056529	NA	metacyc	NA	NA
+CJneg0282	Hydroxyphenyllactic acid [(M-H)]- (13C)	C813CH9O4	183.061825	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0282	Hydroxyphenyllactic acid [(M-H)]- (13C)	C813CH9O4	183.061825	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C16403	4-Amino-2-hydroxylamino-6-nitrotoluene	C7H9N3O3	183.0644	NA	KEGG	NA	NA
+C11217	p-Fluorophenylalanine	C9H10FNO2	183.0696	NA	KEGG	NA	NA
+MJ005316	6-[(2-Methylpropyl)thio]-2-pyridinol 	C9H13NOS	183.071784	NA	MeJP	NA	NA
+C04744	2,6-Diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine	C6H9N5O2	183.0756	NA	KEGG	NA	NA
+HMDB11657	2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine	C6H9N5O2	183.075623	NA	HMDB2010	NA	NA
+8031	synthetic peptide	PHN	183.07645	MH2+	Inhouse_peptide	NA	peptide
+MJ005317	1-(2-Chlorophenyl)-2-methyl-2-propylamine 	C10H14ClN	183.081477	NA	MeJP	NA	NA
+MJ005318	Chlorphentermine 	C10H14ClN	183.081477	NA	MeJP	NA	NA
+C07559	Chlorphentermine	C10H14ClN	183.0815	NA	KEGG	NA	NA
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR238	Carnitine F3	NA	183.087075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR238	Carnitine F3	NA	183.087075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR238	Carnitine F3	NA	183.087075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR238	Carnitine F3	NA	183.087075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR238	Carnitine F3	F3	183.087075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+3781	dipeptidyl carboxypeptidase inhibitor	PPPG	183.0885	MH2+	Inhouse_peptide	NA	peptide
+3782	dipeptidyl carboxypeptidase inhibitor	PPGP	183.0885	MH2+	Inhouse_peptide	NA	peptide
+CJpos0455	Pantothenic acid [(M+H)-2(H2O)]+	C9H14O3N	183.088975	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0456	Tetrahydrohippuric acid [(M+H)]+	C9H14NO3	183.088975	C18rt(min)=6.33 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0455	Pantothenic acid [(M+H)-2(H2O)]+	C9H14O3N	183.088975	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0456	Tetrahydrohippuric acid [(M+H)]+	C9H14NO3	183.088975	C18rt(min)=6.33 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+7646	ACE inhibitor from pea vicilin	GYK	183.089	MH2+	Inhouse_peptide	NA	peptide
+C00788	L-Adrenaline	C9H13NO3	183.0895	NA	KEGG	NA	NA
+C05589	L-Normetanephrine	C9H13NO3	183.0895	NA	KEGG	NA	NA
+C11768	Levonordefrin	C9H13NO3	183.0895	NA	KEGG	NA	NA
+C17925	Nordephrine	C9H13NO3	183.0895	NA	KEGG	NA	NA
+HMDB00068	Epinephrine	C9H13NO3	183.089539	NA	HMDB2010	NA	NA
+HMDB00819	Normetanephrine	C9H13NO3	183.089539	NA	HMDB2010	NA	NA
+HMDB02832	Methylnoradrenaline	C9H13NO3	183.089539	NA	HMDB2010	NA	NA
+HMDB00068	Epinephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00068	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00819	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00068	Epinephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00068	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00819	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00068	Epinephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00068	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00819	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00068	Epinephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00068	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00819	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00068	Epinephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00068	HMDB	NA	NA
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00819	HMDB	NA	NA
+HMDB02832	Methylnoradrenaline	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB02832	HMDB	NA	NA
+HMDB00068	Epinephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00068	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	http://www.hmdb.ca/metabolites/HMDB00819	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00068	Epinephrine	C9H13NO3	183.08954	HMDB00068	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00819	Normetanephrine	C9H13NO3	183.08954	HMDB00819	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02832	Methylnoradrenaline	C9H13NO3	183.08954	HMDB02832	PFEM_hmdb_metabocards_official	NA	NA
+MJ005319	2-Amino-1-(3,4-dihydroxyphenyl)-1-propanol 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005320	3,4,5-Trihydroxyphenethylamine; 3'-Me ether 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005321	3,4,5-Trihydroxyphenethylamine; N-Me 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005322	Adrenaline 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005323	Nortenuazonic acid 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005324	Pancratium sickenbergi Alkaloid 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005325	Pyridoxine; O1''-Me 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005326	4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MJ005327	L-Normetanephrine 	C9H13NO3	183.089543	NA	MeJP	NA	NA
+MetaCyc01597	adrenaline [epinephrine;L-epinephrine;]	C9H13N1O3	183.089543	NA	metacyc	NA	NA
+JH151	Pantothenic acid [M+H-2H2O]+	NA	183.09	6.63	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH151	Pantothenic acid [M+H-2H2O]+	NA	183.09	6.63	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH151	Pantothenic acid [M+H-2H2O]+	NA	183.09	6.63	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH151	Pantothenic acid [M+H-2H2O]+	NA	183.09	6.63	Inhousejuil11	NA	NA
+CJneg0283	Tetrahydrohippuric acid [(M-H)]-	C9H12NO3	183.090125	C18rt(min)=6.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0283	Tetrahydrohippuric acid [(M-H)]-	C9H12NO3	183.090125	C18rt(min)=6.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR344	Acide pantothenique F4	NA	183.090475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR344	Acide pantothenique F4	NA	183.090475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR344	Acide pantothenique F4	NA	183.090475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR344	Acide pantothenique F4	NA	183.090475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR344	Pantothenic acid F4	F4	183.090475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ005328	Histidinol, N-Ac 	C8H13N3O2	183.100776	NA	MeJP	NA	NA
+MetaCyc01598	n&alpha;-n&alpha;-dimethyl-L-histidine []	C8H13N3O2	183.100777	NA	metacyc	NA	NA
+C04259	Nalpha,Nalpha-Dimethyl-L-histidine	C8H13N3O2	183.1008	NA	KEGG	NA	NA
+C04260	O-D-Alanyl-poly(ribitol phosphate)	C8H13N3O2	183.1008	NA	KEGG	NA	NA
+C04261	Protein N(pi)-phospho-L-histidine	C7H9N4O5PR2	183.1008	NA	KEGG	NA	NA
+C04262	Protein N(tau)-phospho-L-histidine	C7H9N4O5PR2	183.1008	NA	KEGG	NA	NA
+MJ005329	6-(3-Methyl-1,3-butadienyl)-1H-indole 	C13H13N	183.104799	NA	MeJP	NA	NA
+C12452	Acetyltropine	C10H17NO2	183.1259	NA	KEGG	NA	NA
+C12453	Acetylpseudotropine	C10H17NO2	183.1259	NA	KEGG	NA	NA
+MJ005330	1-Hydroxymethylpyrrolizidine, Ac 	C10H17NO2	183.125928	NA	MeJP	NA	NA
+MJ005331	1-Pyrrolizidinecarboxylic acid, Et ester 	C10H17NO2	183.125928	NA	MeJP	NA	NA
+MJ005332	3,3-Diethyl-5-methyl-2,4-piperidinedione 	C10H17NO2	183.125928	NA	MeJP	NA	NA
+MJ005333	6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, Amide 	C10H17NO2	183.125928	NA	MeJP	NA	NA
+MJ005334	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, Ac 	C10H17NO2	183.125928	NA	MeJP	NA	NA
+MJ005335	Polihexanide 	C8H17N5	183.148395	NA	MeJP	NA	NA
+C09989	Tecostanine	C11H21NO	183.1623	NA	KEGG	NA	NA
+MJ005336	4a-Hydroxyskytanthine 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005337	Halosaline, 8-Ketone, N-Me 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005338	Hydroxyskytanthine I 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005339	Incarvilline 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005340	Nitramine, N-Me 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005341	Skytanthine, N-Oxide 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005342	Tecostanine 	C11H21NO	183.162314	NA	MeJP	NA	NA
+MJ005343	2,2,6,6-Tetramethyl-4-piperidinone; N,N-Di-Me 	C11H22NO(+)	183.162314	NA	MeJP	NA	NA
+MJ005344	1-Ethyl-3-(2-methylbutyl)piperidine 	C12H25N	183.198699	NA	MeJP	NA	NA
+7869	peptide from Okara protein	SDF	183.56345	MH2+	Inhouse_peptide	NA	peptide
+8023	synthetic peptide	PHD	183.56845	MH2+	Inhouse_peptide	NA	peptide
+3488	ACE inhibitor from sake lees	YW	183.571	MH2+	Inhouse_peptide	NA	peptide
+7898	peptide from bovine b-lactoglobulin	WY	183.571	MH2+	Inhouse_peptide	NA	peptide
+8002	synthetic peptide	LHV	183.605	MH2+	Inhouse_peptide	NA	peptide
+C15233	Cadmium chloride	CdCl2	183.8411	NA	KEGG	NA	NA
+MetaCyc01599	arsonoacetate []	C2H5O5AS1	183.935295	NA	metacyc	NA	NA
+C06550	Arsonoacetate	C2H5AsO5	183.9353	NA	KEGG	NA	NA
+MJ005345	1-Iodo-2-propanone 	C3H5IO	183.938508	NA	MeJP	NA	NA
+MJ005346	Methyl 2-propenyl tetrasulfide 	C4H8S4	183.950883	NA	MeJP	NA	NA
+C00753	Tungsten	W	183.9509	NA	KEGG	NA	NA
+C00754	Vanadate	W	183.9509	NA	KEGG	NA	NA
+HMDB01989	Tungsten	[W]4+	183.950928	NA	HMDB2010	NA	NA
+HMDB01989	Tungsten	W	183.95093	http://www.hmdb.ca/metabolites/HMDB01989	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01989	Tungsten	W	183.95093	http://www.hmdb.ca/metabolites/HMDB01989	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01989	Tungsten	W	183.95093	http://www.hmdb.ca/metabolites/HMDB01989	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01989	Tungsten	W	183.95093	http://www.hmdb.ca/metabolites/HMDB01989	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01989	Tungsten	W	183.95093	http://www.hmdb.ca/metabolites/HMDB01989	HMDB	NA	NA
+HMDB01989	Tungsten	W	183.95093	http://www.hmdb.ca/metabolites/HMDB01989	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01989	Tungsten	W	183.95093	HMDB01989	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01600	W+6 [tungsten ion;]	W1	183.950933	NA	metacyc	NA	NA
+C07516	Enflurane	C3H2ClF5O	183.9714	NA	KEGG	NA	NA
+C07518	Isoflurane	C3H2ClF5O	183.9714	NA	KEGG	NA	NA
+MJ005347	2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane 	C3H2ClF5O	183.971433	NA	MeJP	NA	NA
+MJ005348	2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane 	C3H2ClF5O	183.971433	NA	MeJP	NA	NA
+MJ005349	1-Iodobutane 	C4H9I	183.974893	NA	MeJP	NA	NA
+MJ005350	3-Phosphonooxypyruvate 	C3H5O7P	183.977289	NA	MeJP	NA	NA
+MetaCyc01601	3-phospho-hydroxypyruvate [3-phosphonooxypyruvate;3-P-hydroxypyruvate;3-p-OH-pyr;3-phosphohydroxypyruvate;3-p-OH-pyruvate;3-p-hydroxy-pyr;3-phosphohydroxy-pyr;phosphohydroxypyruate;]	C3H5O7P1	183.977289	3913-50-6	metacyc	NA	NA
+HMDB01024	Phosphohydroxypyruvic acid	C3H5O7P	183.97729	http://www.hmdb.ca/metabolites/HMDB01024	HMDB	NA	NA
+HMDB01024	Phosphohydroxypyruvic acid	C3H5O7P	183.97729	HMDB01024	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01024	Phosphohydroxypyruvic acid	C3H5O7P	183.977295	NA	HMDB2010	NA	NA
+C03232	3-Phosphonooxypyruvate	C3H5O7P	183.9773	NA	KEGG	NA	NA
+MJ005351	4-Oxo-4H-pyran-2,6-dicarboxylic acid 	C7H4O6	184.000787	NA	MeJP	NA	NA
+MJ005352	2-Pyrone-4,6-dicarboxylate 	C7H4O6	184.000787	NA	MeJP	NA	NA
+MetaCyc01602	2-pyrone-4,6-dicarboxylate [2-pyrone-4,6-dicarboxylic acid;&alpha;-pyrone-4,6-dicarboxylate;&alpha;-pyrone-4,6-dicarboxylic acid;]	C7H4O6	184.000788	NA	metacyc	NA	NA
+C03671	2-Pyrone-4,6-dicarboxylate	C7H4O6	184.0008	NA	KEGG	NA	NA
+C08476	Chelidonic acid	C7H4O6	184.0008	NA	KEGG	NA	NA
+CJneg0284	Imidazoleacetic acid isomers [(M-H)+(NaCl)]-	C5H5ClN2NaO2	184.002125	C18rt(min)=0.94 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0284	Imidazoleacetic acid isomers [(M-H)+(NaCl)]-	C5H5ClN2NaO2	184.002125	C18rt(min)=0.94 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005353	Methyl 1-(methylthio)propyl disulfide; 5-Oxide 	C5H12OS3	184.005027	NA	MeJP	NA	NA
+C16613	6-Thiourate	C5H4N4O2S	184.0055	NA	KEGG	NA	NA
+C02496	2,4-Dinitrophenol	C6H4N2O5	184.012	NA	KEGG	NA	NA
+MetaCyc01603	3,4-dihydroxy-2-butanone-4-P [3,4-dihydroxy-2-butanone-4-phosphate;tetrolose phosphate;]	C4H9O6P1	184.013675	NA	metacyc	NA	NA
+C15556	3,4-Dihydroxy-2-butanone 4-phosphate	C4H9O6P	184.0137	NA	KEGG	NA	NA
+C11821	5-Hydroxyisourate	C5H4N4O4	184.0233	NA	KEGG	NA	NA
+CJpos0457	Glutamine [M+K]+ 	C5H10O3N2K	184.024475	C18rt(min)=0.87 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0457	Glutamine [M+K]+ 	C5H10O3N2K	184.024475	C18rt(min)=0.87 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005354	Dibenzothiophene 	C12H8S	184.03467	NA	MeJP	NA	NA
+MetaCyc01604	dibenzothiophene [DBT;diphenylene sulfide;]	C12H8S1	184.034671	132-65-0	metacyc	NA	NA
+HMDB01866	3,4-Dihydroxymandelic acid	C8H8O5	184.03717	http://www.hmdb.ca/metabolites/HMDB01866	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01866	3,4-Dihydroxymandelic acid	C8H8O5	184.03717	http://www.hmdb.ca/metabolites/HMDB01866	HMDB	NA	NA
+HMDB01866	3,4-Dihydroxymandelic acid	C8H8O5	184.03717	http://www.hmdb.ca/metabolites/HMDB01866	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01866	3,4-Dihydroxymandelic acid	C8H8O5	184.03717	HMDB01866	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01866	3,4-Dihydroxymandelic acid	C8H8O5	184.03717	NA	HMDB2010	NA	NA
+HMDB13198	4-O-Methylgallic acid	C8H8O5	184.03717	NA	HMDB2010	NA	NA
+MJ005355	2,3,5-Trihydroxyphenylacetic acid 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005356	2,3,6-Trihydroxybenzoic acid; 2-Me ether 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005357	2,3-Dihydroxy-5-methyl-1,4-benzoquinone; 2-Me ether, 5,6-epoxide 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005358	2,4,6-Trihydroxybenzoic acid; Me ester 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005359	2,5-Dihydroxy-3-methoxy-6-methyl-1,4-benzoquinone 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005360	2,5-Furandiacetic acid 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005361	3,4,5-Trihydroxybenzoic acid; 3-Me ether 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005362	3,4,5-Trihydroxybenzoic acid; 4-Me ether 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005363	3,4,5-Trihydroxybenzoic acid; Me ester 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005364	6-Hydroxymethyl-2,3,4-trihydroxybenzaldehyde 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005365	Pevalic acid 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MJ005366	3,4-Dihydroxymandelate 	C8H8O5	184.037173	NA	MeJP	NA	NA
+MetaCyc01605	3-O-methylgallate []	C8H8O5	184.037173	NA	metacyc	NA	NA
+C05580	3,4-Dihydroxymandelate	C8H8O5	184.0372	NA	KEGG	NA	NA
+C05616	3-O-Methylgallate	C8H8O5	184.0372	NA	KEGG	NA	NA
+MJ005367	4-Amino-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxamide 	C7H8N2O4	184.048406	NA	MeJP	NA	NA
+C07732	Dibenzo-p-dioxin	C12H8O2	184.0524	NA	KEGG	NA	NA
+C14409	2-Hydroxydibenzofuran	C12H8O2	184.0524	NA	KEGG	NA	NA
+MJ005368	6-Hydroxy-1-phenyl-2,4-hexadiyn-1-one 	C12H8O2	184.052429	NA	MeJP	NA	NA
+MJ005369	Dibenzo-p-dioxin 	C12H8O2	184.052429	NA	MeJP	NA	NA
+MetaCyc01606	dibenzo-p-dioxin [dibenzodioxin;dibenzo[1,4]dioxin;dibenzo[b,e]dioxin;diphenylene dioxide;oxanthrene;phenodioxin;]	C12H8O2	184.05243	262-12-4	metacyc	NA	NA
+CJpos0458	4-Pyridoxic acid  isomer [(M+H)]+ (13C)	C713CH10NO4	184.055975	C18rt(min)=5.6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0458	4-Pyridoxic acid  isomer [(M+H)]+ (13C)	C713CH10NO4	184.055975	C18rt(min)=5.6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0285	4-Pyridoxic acid  isomer [(M-H)]- (13C)	C713CH8NO4	184.057025	C18rt(min)=5.6 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0285	4-Pyridoxic acid  isomer [(M-H)]- (13C)	C713CH8NO4	184.057025	C18rt(min)=5.6 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005370	3-(5-Oxazolyl)-1H-indole 	C11H8N2O	184.063662	NA	MeJP	NA	NA
+MJ005371	Diisopropyl phosphorofluoridate 	C6H14FO3P	184.066459	NA	MeJP	NA	NA
+MetaCyc01607	diisopropyl fluorophosphate []	C6H14O3F1P1	184.066459	NA	metacyc	NA	NA
+C00202	Isoflurophate	C6H14FO3P	184.0665	NA	KEGG	NA	NA
+CJpos0459	Tiglylcarnitine 2-ethylacrylylcarnitine [(M+H)-NC3H9]+	C9H13O4	184.072975	C18rt(min)=5.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0459	Tiglylcarnitine § 2-ethylacrylylcarnitine [(M+H)-NC3H9]+	C9H13O4	184.072975	C18rt(min)=5.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005372	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005373	1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005374	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 4'-Me ether 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005375	1-(4-Hydroxyphenyl)-1,2,3-propanetriol 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005376	2-(3,4,5-Trihydroxyphenyl)ethanol; 4'-Me ether 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005377	4-Formyl-3-(2-oxoethyl)-4-hexenoic acid 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005378	5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; (1'S)-Hydroxy 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005379	5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; 2'-Hydroxy 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005380	7,8-Didehydro-6,10-dihydroxy-11-noriridomyrmecin 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005381	Artselaenin C 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005382	Asperlactone 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005383	Aspyrone 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005384	Buergerinin G 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005385	Deutziogenin 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005386	Genipic acid 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005387	Hypoxylactone 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005388	Jiofuran 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005389	Ningpogenin; 3-Oxo 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005390	Vertipyronediol; 1'-Deoxy 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005391	Viteolide I 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005392	2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MJ005393	3-Methoxy-4-hydroxyphenylethyleneglycol 	C9H12O4	184.073558	NA	MeJP	NA	NA
+MetaCyc01608	2-hydroxy-6-oxo-7-methyl-octa-2,4-dienoate []	C9H12O4	184.073559	NA	metacyc	NA	NA
+MetaCyc01609	cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol [cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol;3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate;]	C9H12O4	184.073559	NA	metacyc	NA	NA
+HMDB01490	Vanylglycol	C9H12O4	184.07356	http://www.hmdb.ca/metabolites/HMDB01490	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01490	Vanylglycol	C9H12O4	184.07356	http://www.hmdb.ca/metabolites/HMDB01490	HMDB	NA	NA
+HMDB01490	Vanylglycol	C9H12O4	184.07356	http://www.hmdb.ca/metabolites/HMDB01490	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01490	Vanylglycol	C9H12O4	184.07356	HMDB01490	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01490	Vanylglycol	C9H12O4	184.073563	NA	HMDB2010	NA	NA
+C04535	7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate	C9H12O4	184.0736	NA	KEGG	NA	NA
+C05594	3-Methoxy-4-hydroxyphenylethyleneglycol	C9H12O4	184.0736	NA	KEGG	NA	NA
+C06582	2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate	C9H12O4	184.0736	NA	KEGG	NA	NA
+C10765	Antiarol	C9H12O4	184.0736	NA	KEGG	NA	NA
+C11456	cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	C9H12O4	184.0736	NA	KEGG	NA	NA
+C11588	cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol	C9H12O4	184.0736	NA	KEGG	NA	NA
+HMDB01565	Phosphorylcholine	C5H15NO4P	184.073868	NA	HMDB2010	NA	NA
+MetaCyc01610	phosphoryl-choline [choline phosphate;phosphocholine;N-Trimethyl-2-aminoethylphosphonate;O-Phosphocholine;]	C5H15N1O4P1	184.073869	107-73-3	metacyc	NA	NA
+HMDB01565	Phosphorylcholine	C5H15NO4P	184.07387	http://www.hmdb.ca/metabolites/HMDB01565	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01565	Phosphorylcholine	C5H15NO4P	184.07387	http://www.hmdb.ca/metabolites/HMDB01565	HMDB	NA	NA
+HMDB01565	Phosphorylcholine	C5H15NO4P	184.07387	NA  ;SYN:Guanidino-N(1),N(2)-dimethylarginine; N(G1),N(G2)-Dimethylarginine; N,n'-dimethylarginine; N5-((methylamino)(methylimino)methyl)-L-Ornithine; N5-(N,N'-dimethylamidino)-L-Ornithine; N5-[bis(methylamino)methylene]-L-Ornithine; NG,N'G-Dimethyl-L-arginine; NG,N'G-dimethylarginine; NG,NG'-dimethylarginineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01565	Phosphorylcholine	C5H15NO4P	184.07387	http://www.hmdb.ca/metabolites/HMDB01565	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01565	Phosphorylcholine	C5H15NO4P	184.07387	HMDB01565	PFEM_hmdb_metabocards_official	NA	NA
+C00588	Choline phosphate	C5H15NO4P	184.0739	NA	KEGG	NA	NA
+C00589	Collagen type III	C5H15NO4P	184.0739	NA	KEGG	NA	NA
+MJ005394	Barbital 	C8H12N2O3	184.084792	NA	MeJP	NA	NA
+MJ005395	Pentizidone 	C8H12N2O3	184.084792	NA	MeJP	NA	NA
+MJ005396	Primocarcin 	C8H12N2O3	184.084792	NA	MeJP	NA	NA
+MetaCyc01611	barbital [ethylbarbital;diethylmalonylurea;diemal;barbitone;veronal;medinal;barbital;]	C8H12N2O3	184.084792	57-44-3	metacyc	NA	NA
+MJ005397	1-(2-Methoxyphenyl)-2,4-hexadiyne 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005398	2,5-Dihydro-2-(4,6,8-nonatrien-2-ynylidene)furan 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005399	2,8,10,12-Tridecatetraene-4,6-diyn-1-ol 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005400	2,8,10-Tridecatriene-4,6-diynal 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005401	2-(1-Nonene-3,5,7-triynyl)furan, 2,3,4,5-Tetrahydro 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005402	3,4-Dihydro-2H-naphtho[2,3-b]pyran 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005403	3,5-Tridecadiene-7,9,11-triyn-1-ol 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005404	3,8-Dimethyl-1-azulenecarboxaldehyde 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005405	4-Benzylphenol 	C13H12O	184.088815	NA	MeJP	NA	NA
+MJ005406	7-Phenyl-4,6-heptadiyn-2-ol 	C13H12O	184.088815	NA	MeJP	NA	NA
+8058	synthetic peptide	RHG	184.09	MH2+	Inhouse_peptide	NA	peptide
+CJpos0460	Tetrahydrohippuric acid [(M+H)]+ (13C)	C813CH14NO3	184.092375	C18rt(min)=6.33 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0460	Tetrahydrohippuric acid [(M+H)]+ (13C)	C813CH14NO3	184.092375	C18rt(min)=6.33 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0286	Tetrahydrohippuric acid [(M-H)]- (13C)	C813CH12NO3	184.093425	C18rt(min)=6.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0286	Tetrahydrohippuric acid [(M-H)]- (13C)	C813CH12NO3	184.093425	C18rt(min)=6.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc01612	lathyrine [&beta;-(2-amino-pyrimidin-4-yl)alanine;]	C7H12N4O2	184.096026	NA	metacyc	NA	NA
+C10625	Withasomnine	C12H12N2	184.1	NA	KEGG	NA	NA
+C16444	Benzidine	C12H12N2	184.1	NA	KEGG	NA	NA
+MJ005407	3,4-Dihydro-1-methyl-?-carboline 	C12H12N2	184.100048	NA	MeJP	NA	NA
+MJ005408	5,6-Dihydro-3-phenyl-4H-pyrrolo[1,2-b]pyrazole 	C12H12N2	184.100048	NA	MeJP	NA	NA
+CJpos0461	2-ethylsuberic acid  [(M+H)-(H2O)]+	C10H17O3	184.109375	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0462	Heptylmalonic acid  [(M+H)-(H2O)]+	C10H17O3	184.109375	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0461	2-ethylsuberic acid  [(M+H)-(H2O)]+	C10H17O3	184.109375	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0462	Heptylmalonic acid  [(M+H)-(H2O)]+	C10H17O3	184.109375	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03843	5-exo-Hydroxy-1,2-campholide	C10H16O3	184.1099	NA	KEGG	NA	NA
+C04718	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one	C10H16O3	184.1099	NA	KEGG	NA	NA
+C06066	4,5-Dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one	C10H16O3	184.1099	NA	KEGG	NA	NA
+C11405	(3R)-3-Isopropenyl-6-oxoheptanoate	C10H16O3	184.1099	NA	KEGG	NA	NA
+C11419	(3S)-3-Isopropenyl-6-oxoheptanoate	C10H16O3	184.1099	NA	KEGG	NA	NA
+MJ005409	1,2-Dihydroxy-p-menth-3-en-5-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005410	1,3-Dihydroxy-p-menth-3-en-2-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005411	1,6-Dihydroxy-p-menth-3-en-2-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005412	1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005413	10-Oxo-8-decenoic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005414	2,3,10-Bornanetriol, 3-Ketone 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005415	2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005416	2,8-Dihydroxy-p-menth-3-en-5-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005417	3,8-Dihydroxy-p-menth-1-en-6-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005418	4,5-Dihydroxy-2,6,6-trimethyl-2-cyclohepten-1-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005419	5-Butyltetrahydrofuro[3,2-b]furan-2(3H)-one 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005420	5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone; 5-Deoxy 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005421	6,8-Decadiene-1,3,5-triol, 5-Ketone 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005422	6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005423	7-Hydroxy-6-methyl-2,4-nonadienoic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005424	8-Hydroxy-p-menth-1-en-7-oic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005425	9,10-Dihydroxy-2-fenchanone 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005426	9-Oxo-2-decenoic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005427	Aspinolide A 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005428	Diplodialide B 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005429	Elsholtzidiol 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005430	Lachnellin B 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005431	Nepetalic acid 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005432	Ramulosin; 8?,8a?-Dihydro, 3,4a-diepimer 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005433	Ramulosin; 8?,8a?-Dihydro 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MJ005434	Secothujene 	C10H16O3	184.109944	NA	MeJP	NA	NA
+MetaCyc01613	4,5-dihydro-5,5-dimethyl-4-(3-oxobutyl)furan-2(3H)-one [(R)-5,5-dimethyl-4-(3'-oxobutyl)-4,5-dihydrofuran-2(3H)-one;]	C10H16O3	184.109944	NA	metacyc	NA	NA
+MetaCyc01614	1,6,6-trimethyl-2,7-dioxobicyclo-(3,2,2)nonan-3-one [1,6,6-trimethyl-2,7-dioxabicyclo(3,2,2)nonan-3-one;]	C10H16O3	184.109944	NA	metacyc	NA	NA
+MJ005435	Mitoguazone 	C5H12N8	184.118492	NA	MeJP	NA	NA
+CJpos0463	Asp-Leu Asp-Ile [(M+H)-(H2O)-(CO2)]+	C9H17N2O2	184.120675	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0463	Asp-Leu § Asp-Ile [(M+H)-(H2O)-(CO2)]+	C9H17N2O2	184.120675	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005436	Apronolide 	C9H16N2O2	184.121177	NA	MeJP	NA	NA
+MJ005437	Cyclo(alanylisoleucyl) 	C9H16N2O2	184.121177	NA	MeJP	NA	NA
+MJ005438	Cyclo(alanylleucyl) 	C9H16N2O2	184.121177	NA	MeJP	NA	NA
+C09633	Chamazulene	C14H16	184.1252	NA	KEGG	NA	NA
+MJ005439	1,2-Dihydro-3-isopropenyl-5-methylnaphthalene 	C14H16	184.1252	NA	MeJP	NA	NA
+MJ005440	1,4-Dimethyl-7-ethylazulene 	C14H16	184.1252	NA	MeJP	NA	NA
+C08571	gamma-Undecalactone	C11H20O2	184.1463	NA	KEGG	NA	NA
+C12295	Citronellyl formate	C11H20O2	184.1463	NA	KEGG	NA	NA
+C13823	11-Undecanolactone	C11H20O2	184.1463	NA	KEGG	NA	NA
+C13910	Undecylenic acid	C11H20O2	184.1463	NA	KEGG	NA	NA
+C13911	Transferred to D02160	C11H20O2	184.1463	NA	KEGG	NA	NA
+C13912	Transferred to D02161	C11H20O2	184.1463	NA	KEGG	NA	NA
+MJ005441	1-Nonen-3-ol, Ac 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005442	10-Undecenoic acid 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005443	2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene; Tetrahydro 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005444	2,3,7-Trimethyl-1,6-dioxaspiro[4.5]decane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005445	2,7-Diethyl-1,6-dioxaspiro[4.4]nonane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005446	2,7-Dimethyl-1,6-dioxaspiro[4.6]undecane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005447	2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005448	2-Ethyl-1,7-dioxaspiro[5.5]undecane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005449	2-Hexyl-1-cyclopropaneacetic acid 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005450	2-Methyl-1,7-dioxaspiro[5.6]dodecane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005451	2-Methyl-2-pentenoic acid, (S)-1-Methylbutyl ester 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005452	2-Methyl-7-propyl-1,6-dioxaspiro[4.4]nonane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005453	3,7-Dimethyl-6-octenoic acid, Me ester 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005454	3-Hexen-1-ol, Pentanoyl 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005455	3-Methyl-3-decenoic acid 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005456	3-Methyl-4-decenoic acid 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005457	4,6-Dimethyl-3,7-nonanediol; Diketone 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005458	5-Heptyldihydro-2(3H)-furanone 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005459	7-Ethyl-2-methyl-1,6-dioxaspiro[4.5]decane 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005460	7-Hydroxy-4,6-dimethyl-4-nonen-3-one 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005461	8-Nonen-1-ol; Ac 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005462	Chokol G 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005463	Sordidin 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005464	Stellatol 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005465	Tetrahydro-5-methyl-6-pentyl-2H-pyran-2-one 	C11H20O2	184.146329	NA	MeJP	NA	NA
+MJ005466	Guanazodine 	C9H20N4	184.168796	NA	MeJP	NA	NA
+C02278	Dodecylaldehyde	C12H24O	184.1827	NA	KEGG	NA	NA
+MJ005467	10-Dodecen-1-ol 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005468	11-Dodecen-1-ol 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005469	2-Dodecanone 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005470	3-Dodecen-1-ol 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005471	4,5-Dimethyldecanal 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005472	4,8-Dimethyldecanal 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005473	8-Dodecen-1-ol 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005474	9-Dodecen-1-ol 	C12H24O	184.182715	NA	MeJP	NA	NA
+MJ005475	Dodecanal 	C12H24O	184.182715	NA	MeJP	NA	NA
+C13834	Tridecane	C13H28	184.2191	NA	KEGG	NA	NA
+MJ005476	2,2,4-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005477	2,2,8-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005478	2,2,9-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005479	2,3,4-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005480	2,3,7-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005481	2,6,7-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005482	2,6,8-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005483	2-Methyldodecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005484	3,3,4-Trimethyldecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005485	3-Methyldodecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005486	4-Methyldodecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005487	5-Methyldodecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005488	6-Methyldodecane 	C13H28	184.2191	NA	MeJP	NA	NA
+MJ005489	Tridecane 	C13H28	184.2191	NA	MeJP	NA	NA
+8001	synthetic peptide	LHT	184.5945	MH2+	Inhouse_peptide	NA	peptide
+HMDB02014	cis-5-Tetradecenoylcarnitine	C21H39NO4	184.6439515	MH2+	Inhouse_peptide	NA	peptide
+MJ005490	Sodium pertechnetate (NaTcO4) 	NaO4Tc	184.876643	NA	MeJP	NA	NA
+MetaCyc01615	iodoacetate [monoiodoacetate;]	C2H2O2I1	184.909947	NA	metacyc	NA	NA
+MetaCyc01616	iodoacetamide [iodoacetoamide;2-iodoacetamide;acetamide, 2-iodo-;monoiodoacetamide;surauto;N-(3-methoxy-4-butoxybenzyl)thiobarbituric acid;]	C2H4N1O1I1	184.933757	NA	metacyc	NA	NA
+CJpos0464	Taurine (and isomer) [(M-H)+Na+K]+	C2H6O3NNaKS	184.951975	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0464	Taurine (and isomer) [(M-H)+Na+K]+	C2H6O3NNaKS	184.951975	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005491	6-Chloro-1,2-benzisothiazol-3(2H)-one 	C7H4ClNOS	184.970212	NA	MeJP	NA	NA
+JH043	Glutamic acid [M+K]+	NA	184.9979	1.23	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH043	Glutamic acid [M+K]+	NA	184.9979	1.23	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH043	Glutamic acid [M+K]+	NA	184.9979	1.23	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH043	Glutamic acid [M+K]+	NA	184.9979	1.23	Inhousejuil11	NA	NA
+C02703	L-Serine O-sulfate	C3H7NO6S	184.9994	NA	KEGG	NA	NA
+MetaCyc01617	L-serine O-sulfate []	C3H7N1O6S1	184.999408	NA	metacyc	NA	NA
+C01005	O-Phospho-L-serine	C3H8NO6P	185.0089	NA	KEGG	NA	NA
+C02532	D-O-Phosphoserine	C3H8NO6P	185.0089	NA	KEGG	NA	NA
+MJ005492	3-Phosphoserine 	C3H8NO6P	185.008923	NA	MeJP	NA	NA
+MJ005493	Fosfoxacin 	C3H8NO6P	185.008923	NA	MeJP	NA	NA
+MJ005494	O-Phosphoserine 	C3H8NO6P	185.008923	NA	MeJP	NA	NA
+MetaCyc01618	3-phospho-serine [O-phospho-L-serine;serine phosphate;phosphorylserine;seryl phosphate;3-P-serine;serine-3-p;serine-3-phosphate;phosphoserine;P-serine;3-phospho-1-serine;P-ser;3-phosphoserine;]	C3H8N1O6P1	185.008924	17885-08-4	metacyc	NA	NA
+HMDB00272	Phosphoserine	C3H8NO6P	185.008926	NA	HMDB2010	NA	NA
+HMDB01721	DL-O-Phosphoserine	C3H8NO6P	185.008926	NA	HMDB2010	NA	NA
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB00272	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB00272	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB00272	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB00272	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB00272	HMDB	NA	NA
+HMDB01721	DL-O-Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB01721	HMDB	NA	NA
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	NA  ;SYN:3-Carboxylpyridine; 3-Carboxypyridine; 3-Pyridinecarboxylate; 3-Pyridinecarboxylic acid; 3-Pyridylcarboxylate; 3-Pyridylcarboxylic acid; Akotin; Apelagrin; Daskil; Efacin; Enduracin; Linic; Niac; Niacor; Nicacid; Nicangin; Nico-Span; Nicodelmine; Niconacid; Nicosan 3; Nicotinate; Nicotinic acid; Nicotinipca; Nicyl; Nyclin; Pellagrin; Pelonin; Slo-niacin; niacin; niacine; nicamin; nicobid; nicocap; nicolar; wampocapH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	http://www.hmdb.ca/metabolites/HMDB00272	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00272	Phosphoserine	C3H8NO6P	185.00893	HMDB00272	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01721	DL-O-Phosphoserine	C3H8NO6P	185.00893	HMDB01721	PFEM_hmdb_metabocards_official	NA	NA
+C04409	2-Amino-3-carboxymuconate semialdehyde	C7H7NO5	185.0324	NA	KEGG	NA	NA
+HMDB01330	2-amino-3-carboxymuconic acid semialdehyde	C7H7NO5	185.03242	http://www.hmdb.ca/metabolites/HMDB01330	HMDB	NA	NA
+HMDB01330	2-amino-3-carboxymuconic acid semialdehyde	C7H7NO5	185.03242	HMDB01330	PFEM_hmdb_metabocards_official	NA	NA
+MJ005495	2-Amino-3-carboxymuconate semialdehyde 	C7H7NO5	185.032422	NA	MeJP	NA	NA
+MJ005496	6-Hydroxy-5-methoxy-1-methyl-2,3,4(1H)-pyridinetrione 	C7H7NO5	185.032422	NA	MeJP	NA	NA
+MJ005497	Amino(3-oxo-1-propenyl)-2-butenedioic acid 	C7H7NO5	185.032422	NA	MeJP	NA	NA
+MJ005498	Enaminomycin C 	C7H7NO5	185.032422	NA	MeJP	NA	NA
+MetaCyc01619	2-amino-3-carboxymuconate semialdehyde [2-amino-3-carboxymuconate-6-semialdehyde;ACS;]	C7H7N1O5	185.032422	NA	metacyc	NA	NA
+MetaCyc01620	2-amino-3-(3-oxoprop-2-enyl)-but-2-enedioate []	C7H7N1O5	185.032422	NA	metacyc	NA	NA
+HMDB01330	2-Amino-3-carboxymuconic acid semialdehyde	C7H7NO5	185.032425	NA	HMDB2010	NA	NA
+MJ005499	10-Hydroxy-2,4,6,8-undecatetraynoic acid; Amide 	C11H7NO2	185.047678	NA	MeJP	NA	NA
+JH157	N-acetyl-D-glucosamine [M+H-2H2O]+	NA	185.0683	1.39	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH157	N-acetyl-D-glucosamine [M+H-2H2O]+	NA	185.0683	1.39	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH157	N-acetyl-D-glucosamine [M+H-2H2O]+	NA	185.0683	1.39	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH157	N-acetyl-D-glucosamine [M+H-2H2O]+	NA	185.0683	1.39	Inhousejuil11	NA	NA
+MJ005500	1-(1-Hydroxyethyl)-3-isocyano-4-cyclopentene-1,2,3-triol 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+MJ005501	1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+MJ005502	2-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+MJ005503	2-Amino-4,5-dihydroxy-2-cyclohexen-1-one, N-Ac 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+MJ005504	2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+MJ005505	5-Hydroxy-4-methoxymethyl-1H-pyrrole-3-carboxylic acid; Me ester 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+MJ005506	?-Amino-3-carboxybicyclo[1.1.1]pentane-1-acetic acid 	C8H11NO4	185.068807	NA	MeJP	NA	NA
+CJneg0287	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(H2O)]-	C8H10NO4	185.069325	C18rt(min)=5.1 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0287	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)-(H2O)]-	C8H10NO4	185.069325	C18rt(min)=5.1 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0465	5,6-Dihydrouracil [(2M+H)-(NHCO)]+	C7H12N3O3	185.079475	C18rt(min)=1.1 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0465	5,6-Dihydrouracil [(2M+H)-(NHCO)]+	C7H12N3O3	185.079475	C18rt(min)=1.1 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005507	Secnidazole 	C7H11N3O3	185.080041	NA	MeJP	NA	NA
+MJ005508	Ternidazole 	C7H11N3O3	185.080041	NA	MeJP	NA	NA
+MJ005509	2-(1-Propenyl)quinoline; 1',2'-Epoxide 	C12H11NO	185.084063	NA	MeJP	NA	NA
+MJ005510	4-(1H-Indol-3-yl)-3-buten-2-one 	C12H11NO	185.084063	NA	MeJP	NA	NA
+MetaCyc01621	N-hydroxy-4-aminobiphenyl []	C12H11N1O1	185.084064	1204-79-1	metacyc	NA	NA
+C03622	N-Hydroxy-4-aminobiphenyl	C12H11NO	185.0841	NA	KEGG	NA	NA
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR259	Ergothioneine F3	NA	185.095375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR259	Ergothioneine F3	NA	185.095375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR259	Ergothioneine F3	NA	185.095375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR259	Ergothioneine F3	NA	185.095375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR259	Ergothioneine F3	F3	185.095375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06348	pseudoecgonine	C9H15NO3	185.10519	http://www.hmdb.ca/metabolites/HMDB06348	HMDB	NA	NA
+HMDB06548	ecgonine	C9H15NO3	185.10519	http://www.hmdb.ca/metabolites/HMDB06548	HMDB	NA	NA
+HMDB06348	pseudoecgonine	C9H15NO3	185.10519	HMDB06348	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06548	ecgonine	C9H15NO3	185.10519	HMDB06548	PFEM_hmdb_metabocards_official	NA	NA
+MJ005511	6-Hydroxy-1-pyrrolizidinecarboxylic acid, Me ester 	C9H15NO3	185.105193	NA	MeJP	NA	NA
+MJ005512	8-Azabicyclo[3.2.1]octane-2,6-diol, 6-Ac 	C9H15NO3	185.105193	NA	MeJP	NA	NA
+MJ005513	Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid 	C9H15NO3	185.105193	NA	MeJP	NA	NA
+MJ005514	Otonecine 	C9H15NO3	185.105193	NA	MeJP	NA	NA
+HMDB06348	Pseudoecgonine	C9H15NO3	185.105194	NA	HMDB2010	NA	NA
+HMDB06548	Ecgonine	C9H15NO3	185.105194	NA	HMDB2010	NA	NA
+C10356	Otonecine	C9H15NO3	185.1052	NA	KEGG	NA	NA
+C10858	Ecgonine	C9H15NO3	185.1052	NA	KEGG	NA	NA
+C12449	Pseudoecgonine	C9H15NO3	185.1052	NA	KEGG	NA	NA
+3404	ACE inhibitor	VRP	185.1105	MH2+	Inhouse_peptide	NA	peptide
+HMDB06828	Protein N6-methyl-L-lysine	C8H15N3O2	185.11642	http://www.hmdb.ca/metabolites/HMDB06828	HMDB	NA	NA
+HMDB06828	Protein N6-methyl-L-lysine	C8H15N3O2	185.11642	HMDB06828	PFEM_hmdb_metabocards_official	NA	NA
+MJ005515	3-(3-Methyl-2-butenyl)-1H-indole 	C13H15N	185.120449	NA	MeJP	NA	NA
+MJ005516	5-(3-Methyl-2-butenyl)-1H-indole 	C13H15N	185.120449	NA	MeJP	NA	NA
+MJ005517	6-(3-Methyl-2-butenyl)-1H-indole 	C13H15N	185.120449	NA	MeJP	NA	NA
+MJ005518	7-(3-Methyl-2-butenyl)-1H-indole 	C13H15N	185.120449	NA	MeJP	NA	NA
+CJpos0466	Asp-Leu Asp-Ile [(M+H)-(H2O)-(CO2)]+ (13C)	C813CH17N2O2	185.123975	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0466	Asp-Leu § Asp-Ile [(M+H)-(H2O)-(CO2)]+ (13C)	C813CH17N2O2	185.123975	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005519	4-Hydroxyepilupinine 	C10H19NO2	185.141578	NA	MeJP	NA	NA
+MJ005520	Epilupinine, N-Oxide 	C10H19NO2	185.141578	NA	MeJP	NA	NA
+MJ005521	Procymate 	C10H19NO2	185.141578	NA	MeJP	NA	NA
+MJ005522	Choline; O-(3-Methyl-2-butenoyl) 	C10H20NO2(+)	185.141578	NA	MeJP	NA	NA
+MJ005523	Etoformin 	C8H19N5	185.164045	NA	MeJP	NA	NA
+MJ005524	2,2-Dipropylpentanoic acid; Amide 	C11H23NO	185.177964	NA	MeJP	NA	NA
+MJ005525	Halosaline, N-Me 	C11H23NO	185.177964	NA	MeJP	NA	NA
+MJ005526	Silver(I) bromide (AgBr) 	AgBr	185.82343	NA	MeJP	NA	NA
+MetaCyc01622	1,2-dibromoethane []	C2H4BR2	185.867975	NA	metacyc	NA	NA
+C11088	1,2-Dibromoethane	C2H4Br2	185.868	NA	KEGG	NA	NA
+MJ005527	Disodium arsenate 	AsHNa2O4	185.888619	NA	MeJP	NA	NA
+C14846	4-Bromo-3,5-cyclohexadiene-1,2-dione	C6H3BrO2	185.9316	NA	KEGG	NA	NA
+MJ005528	Bis[(methylthio)methyl] disulfide 	C4H10S4	185.966533	NA	MeJP	NA	NA
+MJ005529	Bis(2-hydroxyethyl) trisulfide 	C4H10O2S3	185.984291	NA	MeJP	NA	NA
+MJ005530	O-Ethyl S-(methylthiomethyl) thiosulfite 	C4H10O2S3	185.984291	NA	MeJP	NA	NA
+MJ005531	Pyrrothine 	C6H6N2OS2	185.992154	NA	MeJP	NA	NA
+C00197	3-Phospho-D-glycerate	C3H7O7P	185.9929	NA	KEGG	NA	NA
+C00597	3-Phospho-DL-glycerate	C3H7O7P	185.9929	NA	KEGG	NA	NA
+C00631	2-Phospho-D-glycerate	C3H7O7P	185.9929	NA	KEGG	NA	NA
+HMDB00362	2-Phosphoglyceric acid	C3H7O7P	185.992935	NA	HMDB2010	NA	NA
+HMDB00807	3-Phosphoglyceric acid	C3H7O7P	185.992935	NA	HMDB2010	NA	NA
+HMDB03391	2-Phospho-D-glyceric acid	C3H7O7P	185.992935	NA	HMDB2010	NA	NA
+MJ005532	2-Phospho-D-glycerate 	C3H7O7P	185.992939	NA	MeJP	NA	NA
+MJ005533	3-Phospho-D-glycerate 	C3H7O7P	185.992939	NA	MeJP	NA	NA
+MetaCyc01623	3-phosphoglycerate [3-phospho-(R)-glycerate;3-phospho-glyceric acid;g3p;3-pg;3-P-glycerate;glycerate 3-phosphate;3-phospho-D-glycerate;3-P-D-glycerate;glycerate-3-P;D-Glycerate 3-phosphate;phosphoglycerate;]	C3H7O7P1	185.992939	820-11-1	metacyc	NA	NA
+MetaCyc01624	2-phosphoglycerate [phosphoglycerate;2-phosphoglyceric acid;2-pg;2-P-glycerate;glycerate 2-phosphate;2-phospho-D-glycerate;2-P-D-glycerate;D-Glycerate 2-phosphate;]	C3H7O7P1	185.992939	2553-59-5	metacyc	NA	NA
+HMDB00362	2-Phosphoglyceric acid	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB00362	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00807	3-Phosphoglyceric acid	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB00807	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00362	2-Phosphoglyceric acid	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB00362	HMDB	NA	NA
+HMDB00807	3-Phosphoglyceric acid	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB00807	HMDB	NA	NA
+HMDB03391	2-Phospho-D-glycerate	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB03391	HMDB	NA	NA
+HMDB00362	2-Phosphoglyceric acid	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB00362	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00807	3-Phosphoglyceric acid	C3H7O7P	185.99294	http://www.hmdb.ca/metabolites/HMDB00807	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00362	2-Phosphoglyceric acid	C3H7O7P	185.99294	HMDB00362	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00807	3-Phosphoglyceric acid	C3H7O7P	185.99294	HMDB00807	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03391	2-Phospho-D-glycerate	C3H7O7P	185.99294	HMDB03391	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06039	8-Chloroxanthine	C5H3ClN4O2	185.994446	NA	HMDB2010	NA	NA
+HMDB06039	8-Chloroxanthine	C5H3ClN4O2	185.99445	http://www.hmdb.ca/metabolites/HMDB06039	HMDB	NA	NA
+HMDB06039	8-Chloroxanthine	C5H3ClN4O2	185.99445	HMDB06039	PFEM_hmdb_metabocards_official	NA	NA
+MJ005534	4-Sulfobenzaldehyde 	C7H6O4S	185.998679	NA	MeJP	NA	NA
+MetaCyc01625	4-sulfobenzaldehyde [4-sulphobenzaldehyde;p-sulfobenzaldehyde;]	C7H6O4S1	185.998679	NA	metacyc	NA	NA
+MetaCyc01626	4-formylbenzenesulfonate [4-sulfobenzaldehyde;]	C7H6O4S1	185.998679	NA	metacyc	NA	NA
+C06679	4-Sulfobenzaldehyde	C7H6O4S	185.9987	NA	KEGG	NA	NA
+MJ005535	(3-Chloro-4-hydroxyphenyl)acetic acid 	C8H7ClO3	186.008371	NA	MeJP	NA	NA
+MJ005536	3-Chloro-2,6-dihydroxy-4-methylbenzaldehyde 	C8H7ClO3	186.008371	NA	MeJP	NA	NA
+MJ005537	3-Chloro-4-hydroxybenzoic acid; Me ether 	C8H7ClO3	186.008371	NA	MeJP	NA	NA
+MJ005538	3-Chloro-6-hydroxy-4-methylbenzoic acid 	C8H7ClO3	186.008371	NA	MeJP	NA	NA
+MJ005539	4-Chlorophenoxyacetate 	C8H7ClO3	186.008371	NA	MeJP	NA	NA
+C07088	4-Chlorophenoxyacetate	C8H7ClO3	186.0084	NA	KEGG	NA	NA
+C01163	3-Carboxy-cis,cis-muconate	C7H6O6	186.0164	NA	KEGG	NA	NA
+C01278	2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate	C7H6O6	186.0164	NA	KEGG	NA	NA
+C02167	Maleylpyruvate	C7H6O6	186.0164	NA	KEGG	NA	NA
+C02514	3-Fumarylpyruvate	C7H6O6	186.0164	NA	KEGG	NA	NA
+C03666	2-Carboxy-cis,cis-muconate	C7H6O6	186.0164	NA	KEGG	NA	NA
+C03667	2-Hydroxycarbonyl compound	C2H3O2R	186.0164	NA	KEGG	NA	NA
+C03668	2-Hydroxydicarboxylic acid	C3H4O5	186.0164	NA	KEGG	NA	NA
+C04480	3-Carboxy-2-hydroxymuconate semialdehyde	C7H6O6	186.0164	NA	KEGG	NA	NA
+C04482	3-Phosphatidyl-1'-(3'-O-L-lysyl)glycerol	C14H25N2O11PR2	186.0164	NA	KEGG	NA	NA
+C04484	4-Carboxy-2-hydroxymuconate semialdehyde	C7H6O6	186.0164	NA	KEGG	NA	NA
+C04553	3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate	C7H6O6	186.0164	NA	KEGG	NA	NA
+C05375	2-Hydroxy-2-hydropyrone-4,6-dicarboxylate	C7H6O6	186.0164	NA	KEGG	NA	NA
+MJ005540	2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005541	3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005542	3-Carboxy-cis,cis-muconate 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005543	3-Carboxy-2-hydroxymuconate semialdehyde 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005544	3-Fumarylpyruvate 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005545	4-Carboxy-2-hydroxymuconate semialdehyde 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005546	Maleylpyruvate 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005547	2-Carboxy-2,5-dihydro-5-oxo-2-furanacetic acid 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005548	3-Carboxy-2,5-dihydro-5-oxo-2-furanacetic acid 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MJ005549	Osbeckic acid 	C7H6O6	186.016437	NA	MeJP	NA	NA
+MetaCyc01627	2-hydroxy-4-carboxymuconate-6- semialdehyde [4-carboxy-2-hydroxymuconate semialdehyde;4-carboxy-2-hydroxymuconate-6-semialdehyde;4-carboxy-2-hydroxy-muconate semialdehyde;HCMS;&alpha;-hydroxy-&gamma;-carboxymuconic &epsilon;-semialdehyde;&alpha;-hydroxy-&gamma;-carboxymuconic semialdehyde;4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde;]	C7H6O6	186.016438	28345-81-5	metacyc	NA	NA
+MetaCyc01628	2-carboxy-2,5-dihydro-5-oxofuran-2-acetate [2-carboxy-5-oxo-2,5-dihydrofuran-2-acetate;&gamma;-carboxymuconolactone;4-carboxymuconolactone;5-Carboxy-2,5-dihydro-2-oxofuran-5-acetate;]	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01629	3-carboxy-2,5-dihydro-5-oxofuran-2-acetate [3-carboxy-5-oxo-2,5-dihydrofuran-2-acetate;4-carboxy-2,5-dihydro-2-oxofuran-5-acetate;4-carboxymuconolactone;&gamma;-carboxymuconolactone;]	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01630	3-fumarylpyruvate [fumarylpyruvate;]	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01631	2-hydroxy-4-carboxymuconate semialdehyde semiacetal []	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01632	3-carboxy-2-hydroxymuconate semialdehyde []	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01633	3-carboxy-cis,cis-muconate [cis,cis-butadiene-1,2,4-tricarboxylate;&beta;-carboxy-cis,cis-muconate;]	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01634	2-carboxy-cis,cis-muconate []	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01635	maleylpyruvate [Maleylpyruvic acid;3-Maleylpyruvate;]	C7H6O6	186.016438	NA	metacyc	NA	NA
+MetaCyc01636	2-carboxymuconate []	C7H6O6	186.016438	NA	metacyc	NA	NA
+CJneg0288	Pentose [(M+Cl)]-	C5H10ClO5	186.030025	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0288	Pentose [(M+Cl)]-	C5H10ClO5	186.030025	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005550	2H-Furo[2,3-h][1]benzopyran-2-one 	C11H6O3	186.031694	NA	MeJP	NA	NA
+MJ005551	Psoralen 	C11H6O3	186.031694	NA	MeJP	NA	NA
+MetaCyc01637	psoralen [phytoalexin;7H-Furo[3,2-g][1]benzopyran-7-one;6-hydroxy-5-benzofuranacrylic acid &gamma;-lactone;ficusin;]	C11H6O3	186.031694	NA	metacyc	NA	NA
+C09060	Angelicin	C11H6O3	186.0317	NA	KEGG	NA	NA
+C09305	Psoralen	C11H6O3	186.0317	NA	KEGG	NA	NA
+MJ005552	2-Chloro-5-methyl-1,3-benzenediol; Di-Me ether 	C9H11ClO2	186.044757	NA	MeJP	NA	NA
+MJ005553	4-(Chloromethyl)-1,2-benzenediol; Di-Me ether 	C9H11ClO2	186.044757	NA	MeJP	NA	NA
+MJ005554	4-Chloro-5-methyl-1,3-benzenediol; Di-Me ether 	C9H11ClO2	186.044757	NA	MeJP	NA	NA
+MJ005555	2-(1-Aminopropyl)-4-thiazolecarboxylic acid 	C7H10N2O2S	186.046298	NA	MeJP	NA	NA
+MJ005556	Carbimazole 	C7H10N2O2S	186.046298	NA	MeJP	NA	NA
+MJ005557	Mafenide 	C7H10N2O2S	186.046298	NA	MeJP	NA	NA
+C07106	Mafenide	C7H10N2O2S	186.0463	NA	KEGG	NA	NA
+C07615	Carbimazole	C7H10N2O2S	186.0463	NA	KEGG	NA	NA
+CJpos0467	Deoxyhexose [(M+Na)]+	C6H12NaO5	186.049875	C18rt(min)=0.91 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0467	Deoxyhexose [(M+Na)]+	C6H12NaO5	186.049875	C18rt(min)=0.91 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005558	2-(3,5,7-Octatrien-1-ynyl)thiophene 	C12H10S	186.050321	NA	MeJP	NA	NA
+MJ005559	1-(3,4,5-Trihydroxyphenyl)-1,2-ethanediol 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005560	3,5-Dihydroxy-2-hydroxymethyl-4H-pyran-4-one; 1'-Et ether 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005561	3a,4,5,7a-Tetrahydro-4,5-dihydroxy-6-methyl-1,3-benzodioxol-2-one 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005562	4,5-Dihydroxy-5-hydroxymethyl-2-cyclopenten-1-one, 1'-Ac 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005563	4,5-Dihydroxy-5-hydroxymethyl-2-cyclopenten-1-one, 4-Ac 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005564	Erinapyrone C 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005565	Kjellmanianone 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005566	Oospolide 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005567	Riburonic acid; ?-D-Furanose-form, 1,5-Lactone, 2,3-O-isopropylidene 	C8H10O5	186.052823	NA	MeJP	NA	NA
+MJ005568	2-Amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propanoic acid 	C7H10N2O4	186.064056	NA	MeJP	NA	NA
+MJ005569	2-Amino-4-(2,5-dihydro-5-oxo-2-isoxazolyl)butanoic acid 	C7H10N2O4	186.064056	NA	MeJP	NA	NA
+MJ005570	?-Amino-5-oxo-2(5H)-isoxazolebutanoic acid 	C7H10N2O4	186.064056	NA	MeJP	NA	NA
+C13672	(S)-AMPA	C7H10N2O4	186.0641	NA	KEGG	NA	NA
+MJ005571	1-(2-Hydroxyphenyl)-2,4-hexadiyn-1-ol 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005572	1-Naphthaleneacetic acid 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005573	2,3-Dimethyl-1,4-naphthoquinone 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005574	2,7-Dimethyl-1,4-naphthoquinone 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005575	2-Decene-4,6,8-triyn-1-ol, Ac 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005576	3,8-Dimethyl-1,2-naphthoquinone 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005577	4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Aldehyde 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005578	4-Hydroxy-5,6-dodecadiene-8,10-diynoic acid, ?-Lactone 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005579	4-Methyl-1-azulenecarboxylic acid 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MJ005580	Biphenyl-2,3-diol 	C12H10O2	186.068079	NA	MeJP	NA	NA
+MetaCyc01638	biphenyl-2, 3-diol [2, 3-dihydroxybiphenyl;biphenyl-2, 3-diol;3-phenylcatechol;]	C12H10O2	186.06808	1133-63-7	metacyc	NA	NA
+MetaCyc01639	(+-)-trans-acenaphthene-1,2-diol [trans-1,2-acenaphthylene glycol;]	C12H10O2	186.06808	NA	metacyc	NA	NA
+C02526	Biphenyl-2,3-diol	C12H10O2	186.0681	NA	KEGG	NA	NA
+C03209	2,2'-Dihydroxybiphenyl	C12H10O2	186.0681	NA	KEGG	NA	NA
+C04167	(+/-)-trans-Acenaphthene-1,2-diol	C12H10O2	186.0681	NA	KEGG	NA	NA
+C08448	Eutypine	C12H10O2	186.0681	NA	KEGG	NA	NA
+C10310	Chimaphylin	C12H10O2	186.0681	NA	KEGG	NA	NA
+C13014	1-Naphthylacetic acid	C12H10O2	186.0681	NA	KEGG	NA	NA
+C13015	Transferred to D01559	C12H10O2	186.0681	NA	KEGG	NA	NA
+C14297	4,4'-Dihydroxybiphenyl	C12H10O2	186.0681	NA	KEGG	NA	NA
+C10659	Deoxyvasicinone	C11H10N2O	186.0793	NA	KEGG	NA	NA
+MJ005581	1-(3-Aminophenyl)-2(1H)-pyridinone 	C11H10N2O	186.079312	NA	MeJP	NA	NA
+MJ005582	1H-Indole-3-acetic acid; Nitrile, 1-methoxy 	C11H10N2O	186.079312	NA	MeJP	NA	NA
+MJ005583	2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one 	C11H10N2O	186.079312	NA	MeJP	NA	NA
+MJ005584	2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one 	C11H10N2O	186.079312	NA	MeJP	NA	NA
+MJ005585	3-(1H-Indol-3-yl)-2-propenoic acid, Amide 	C11H10N2O	186.079312	NA	MeJP	NA	NA
+MJ005586	4-Hydroxy-1H-indole-3-acetic acid; Me ether, nitrile 	C11H10N2O	186.079312	NA	MeJP	NA	NA
+MJ005587	1-Chloro-2,4-ochtodien-6-ol 	C10H15ClO	186.081142	NA	MeJP	NA	NA
+MJ005588	Desdamethine 	C8H14N2OS	186.082683	NA	MeJP	NA	NA
+8039	synthetic peptide	PWA	186.084	MH2+	Inhouse_peptide	NA	peptide
+CJpos0468	2-methylbutyroylcarnitine [(M+H)-C3H9N]+	C9H15O4	186.088675	C18rt(min)=5.55 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0469	Isovalerylcarnitine [(M+H)-C3H9N]+	C9H15O4	186.088675	C18rt(min)=5.65 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0468	2-methylbutyroylcarnitine [(M+H)-C3H9N]+	C9H15O4	186.088675	C18rt(min)=5.55 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0469	Isovalerylcarnitine [(M+H)-C3H9N]+	C9H15O4	186.088675	C18rt(min)=5.65 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+3177	dipeptidyl-aminopeptidase IV inhibitor	AP	186.089	celiac toxic	Inhouse_peptide	NA	peptide
+3179	dipeptidyl-aminopeptidase IV inhibitor	PA	186.089	celiac toxic	Inhouse_peptide	NA	peptide
+7584	ACE inhibitor	AP	186.089	antioxidative	Inhouse_peptide	NA	peptide
+C14112	cis-2-Carboxycyclohexyl-acetic acid	C9H14O4	186.0892	NA	KEGG	NA	NA
+MJ005589	1,2-Dimethyl-1,3-cyclopentanedicarboxylic acid 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005590	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 2,3,5,6-Tetrahydro, Me ester 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005591	5-Hydroxy-3-(1-hydroxy-2-methylpropyl)-4-methyl-2(5H)-furanone 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005592	Aspyrone; Deepoxy, 2'S-hydroxy 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005593	Cistanin 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005594	Eucommiol; 10-Deoxy, 1-carboxylic acid 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005595	Jioglutolide 	C9H14O4	186.089208	NA	MeJP	NA	NA
+MJ005596	2,6-Diamino-4-hexenoic acid, N2-Ac 	C8H14N2O3	186.100442	NA	MeJP	NA	NA
+MJ005597	4-Amino-2-piperidinecarboxylic acid, N-Ac 	C8H14N2O3	186.100442	NA	MeJP	NA	NA
+MJ005598	N-Ethoxycarbonylprolinamide 	C8H14N2O3	186.100442	NA	MeJP	NA	NA
+PJ000026	AP 	C8H14N2O3	186.1005	NA	PeJP	NA	NA
+MJ005599	2,2-Dimethyl-6-vinyl-2H-benzopyran 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005600	2,8,10-Tridecatriene-4,6-diyn-1-ol 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005601	2,8,10-Tridecatriene-4,6-diyne; 10,11-Epoxide 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005602	2-Tridecene-4,6,8-triyn-1-ol 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005603	3,5,11-Tridecatriene-7,9-diyn-1-ol 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005604	3,5,7-Tridecatriene-9,11-diyn-1-ol 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005605	4-Tridecene-7,9,11-triyn-1-ol 	C13H14O	186.104465	NA	MeJP	NA	NA
+MJ005606	8-Mercapto-p-menthan-3-one 	C10H18OS	186.107835	NA	MeJP	NA	NA
+MJ005607	Tetrahydrolathyrine 	C7H14N4O2	186.111675	NA	MeJP	NA	NA
+MJ005608	1,2,3,4-Tetrahydro-1-methyl-?-carboline 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005609	1,2,3,4-Tetrahydro-2-methyl-?-carboline 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005610	2,3,4,5-Tetrahydro[1,4]diazepino[1,2-a]indole 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005611	3,4,6,7,8,9-Hexahydrophenazine 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005612	4-[(2,6-Dimethylphenyl)methyl]-1H-imidazole 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005613	6,8,9,11-Tetrahydro-7H-pyrido[2,1-b]quinazoline 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005614	Altinicline 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005615	Detomidine 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005616	Efetozole 	C12H14N2	186.115698	NA	MeJP	NA	NA
+MJ005617	Newbouldine 	C12H14N2	186.115698	NA	MeJP	NA	NA
+C09089	Calligonine	C12H14N2	186.1157	NA	KEGG	NA	NA
+C14701	Paraquat	C12H14N2	186.1157	NA	KEGG	NA	NA
+MJ005618	1,4-Epoxy-p-menthane-2,3-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005619	1,8-Epoxy-p-menthane-2,4-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005620	1,8-Epoxy-p-menthane-2,5-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005621	1,8-Epoxy-p-menthane-2,6-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005622	1,8-Epoxy-p-menthane-2,7-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005623	1,8-Epoxy-p-menthane-7,9-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005624	10-Hydroxy-2-decenoic acid 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005625	10-Hydroxy-8-decenoic acid 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005626	2,3,10-Bornanetriol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005627	2,6-Dimethyl-3,6-octadiene-1,2,8-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005628	2,9,10-Bornanetriol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005629	2-(1-Hydroxycyclohexyl)butanoic acid 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005630	3,7-Dimethyl-1,6-octadien-3-ol, 5,10-Dihydroxy 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005631	3,7-Dimethyl-1,6-octadiene-3,4,5-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005632	3,7-Dimethyl-2,5-octadiene-1,7-diol, 7-Hydroperoxide 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005633	3-Cyclohexyl-3-hydroxybutanoic acid 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005634	3-Hydroxy-2-methylenebutanoic acid, 2-Methylbutyl ester 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005635	3-Hydroxy-2-methylenebutanoic acid, 3-Methylbutyl ester 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005636	3-Hydroxy-5-octenoic acid, Et ester 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005637	3-Hydroxymethyl-7-methyl-2,7-octadiene-1,6-diol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005638	4,5-Dihydroxy-2-decenal 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005639	4-Decyne-1,3,6-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005640	4-Ethenyltetrahydro-3-hydroxy-2,5,5-trimethyl-2-furanmethanol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005641	4-Peroxyachipendole 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005642	5-Octene-1,3-diol, 1-Ac 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005643	6,8-Decadiene-1,3,5-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005644	6-Methyl-2-methylene-6-octene-1,3,8-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005645	6-Methyl-2-methylene-7-octene-1,3,6-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005646	8-Hydroxy-2,6-dimethyl-2-octenoic acid 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005647	9-Hydroxy-2-decenoic acid 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005648	Dihydro-4-hydroxy-5-methyl-3-(2-methylbutyl)-2(3H)-furanone 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005649	Dihydro-4-hydroxy-5-methyl-3-(3-methylbutyl)-2(3H)-furanone 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005650	Dihydro-5-(1-hydroxyhexyl)-2(3H)-furanone 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005651	Dihydro-5-(4-hydroxy-4-methylpentyl)-2(3H)-furanone 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005652	Diplodialide B; 5,6-Dihydro 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005653	Tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-one 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005654	p-Menth-1-ene-3,6-diol, 1?,2?-Epoxide 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MJ005655	p-Menth-2-ene-1,4,8-triol 	C10H18O3	186.125594	NA	MeJP	NA	NA
+MetaCyc01640	10-oxodecanoate [10-oxodecanoic acid;9-Formylnonanoic acid;]	C10H18O3	186.125594	NA	metacyc	NA	NA
+HMDB10724	3-Oxodecanoic acid	C10H18O3	186.125595	NA	HMDB2010	NA	NA
+C02217	10-Oxodecanoate	C10H18O3	186.1256	NA	KEGG	NA	NA
+C11404	(3R)-6-Hydroxy-3-isopropenyl-heptanoate	C10H18O3	186.1256	NA	KEGG	NA	NA
+C11406	(5R)-6-Hydroxy-5-isopropenyl-2-methylhexanoate	C10H18O3	186.1256	NA	KEGG	NA	NA
+C11417	(3S)-6-Hydroxy-3-isopropenyl-heptanoate	C10H18O3	186.1256	NA	KEGG	NA	NA
+C11420	(5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate	C10H18O3	186.1256	NA	KEGG	NA	NA
+C13945	2-Oxodecanoic acid	C10H18O3	186.1256	NA	KEGG	NA	NA
+C17620	Epomediol	C10H18O3	186.1256	NA	KEGG	NA	NA
+3361	ACE inhibitor from sardine	LKL	186.131	MH2+	Inhouse_peptide	NA	peptide
+8107	peptide derived from dried bonito	IKL	186.131	MH2+	Inhouse_peptide	NA	peptide
+MJ005656	Capuride 	C9H18N2O2	186.136827	NA	MeJP	NA	NA
+MJ005657	1,4-Dimethyl-7-ethylazulene; 3,6-Dihydro 	C14H18	186.14085	NA	MeJP	NA	NA
+MJ005658	1,4-Dimethyl-7-ethylazulene; 5,6-Dihydro 	C14H18	186.14085	NA	MeJP	NA	NA
+MJ005659	6,13-Tetradecadiene-1,3-diyne 	C14H18	186.14085	NA	MeJP	NA	NA
+C02581	Propanoylagmatine	C8H18N4O	186.1481	NA	KEGG	NA	NA
+C02582	Protein disulfide	C7H9N3O3S2R2	186.1481	NA	KEGG	NA	NA
+C02583	Protein glutamine	C6H9N3O3R2	186.1481	NA	KEGG	NA	NA
+MJ005660	1,5-Diguanidinopentane 	C7H18N6	186.159294	NA	MeJP	NA	NA
+MJ005661	1-Octanol; Propanoyl 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005662	2,4,6-Trimethyloctanoic acid 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005663	2,4-Dimethylnonanoic acid 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005664	3,4-Epoxy-5-isopropyl-2-methyl-2-heptanol 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005665	4-Methyloctanoic acid, Et ester 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005666	7-Hydroxy-4,6-dimethyl-3-nonanone 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005667	8-Methyldecanoic acid 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005668	9-Methyldecanoic acid 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005669	Decanoic acid; Me ester 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005670	Octanoic acid; Isopropyl ester 	C11H22O2	186.161979	NA	MeJP	NA	NA
+MJ005671	Undecanoic acid 	C11H22O2	186.161979	NA	MeJP	NA	NA
+HMDB00947	Undecanoic acid	C11H22O2	186.161987	NA	HMDB2010	NA	NA
+HMDB02373	4,6-Dimethylnonanoic acid	C11H22O2	186.161987	NA	HMDB2010	NA	NA
+HMDB00947	Undecanoic acid	C11H22O2	186.16199	http://www.hmdb.ca/metabolites/HMDB00947	HMDB	NA	NA
+HMDB02373	4,6-Dimethylnonanoic acid	C11H22O2	186.16199	http://www.hmdb.ca/metabolites/HMDB02373	HMDB	NA	NA
+HMDB00947	Undecanoic acid	C11H22O2	186.16199	HMDB00947	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02373	4,6-Dimethylnonanoic acid	C11H22O2	186.16199	HMDB02373	PFEM_hmdb_metabocards_official	NA	NA
+C17715	Undecanoic acid	C11H22O2	186.162	NA	KEGG	NA	NA
+HMDB11626	Dodecanol	C12H26O	186.198364	NA	HMDB2010	NA	NA
+MJ005672	1-Dodecanol 	C12H26O	186.198365	NA	MeJP	NA	NA
+MJ005673	2-Butyl-1-octanol 	C12H26O	186.198365	NA	MeJP	NA	NA
+MJ005674	2-Dodecanol 	C12H26O	186.198365	NA	MeJP	NA	NA
+C02277	1-Dodecanol	C12H26O	186.1984	NA	KEGG	NA	NA
+7654	ACE inhibitor from wakame	NKL	186.61045	MH2+	Inhouse_peptide	NA	peptide
+MJ005675	2-Amino-5-nitrothiazole; N-Ac 	C5H5N3O3S	187.005161	NA	MeJP	NA	NA
+JH141	Xanthurenic acid [M+H-H20]+	NA	187.0264	12.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH141	Xanthurenic acid [M+H-H20]+	NA	187.0264	12.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH141	Xanthurenic acid [M+H-H20]+	NA	187.0264	12.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH141	Xanthurenic acid [M+H-H20]+	NA	187.0264	12.46	Inhousejuil11	NA	NA
+MJ005676	N-(2-Sulfoethyl)pyridinium betaine 	C7H9NO3S	187.030313	NA	MeJP	NA	NA
+MJ005677	2-(Acetamidomethylene)succinate 	C7H9NO5	187.048072	NA	MeJP	NA	NA
+MJ005678	1-Aminocyclopropanecarboxylic acid; N-Malonyl 	C7H9NO5	187.048072	NA	MeJP	NA	NA
+MJ005679	4-Amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 	C7H9NO5	187.048072	NA	MeJP	NA	NA
+MJ005680	Fumarylalanine 	C7H9NO5	187.048072	NA	MeJP	NA	NA
+MetaCyc01641	2-(acetamidomethylene)succinate []	C7H9N1O5	187.048072	NA	metacyc	NA	NA
+C01215	2-(Acetamidomethylene)succinate	C7H9NO5	187.0481	NA	KEGG	NA	NA
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR361	Tryptophan F2	NA	187.056475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR361	Tryptophan F2	NA	187.056475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR361	Tryptophan F2	NA	187.056475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR361	Tryptophan F2	NA	187.056475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR361	Tryptophan F2	F2	187.056475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ005681	Enteromycin, Amide 	C6H9N3O4	187.059305	NA	MeJP	NA	NA
+MetaCyc01642	deethylatrazine [CIAT;2-chloro-4-amino-6-isopropylamino-s-triazine;6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;]	C6H10N5CL1	187.062473	NA	metacyc	NA	NA
+C06559	Deethylatrazine	C6H10ClN5	187.0625	NA	KEGG	NA	NA
+CJpos0470	Tryptophan isomer [(M+H)-(NH3)]+	C11H10NO2	187.062775	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0470	Tryptophan isomer [(M+H)-(NH3)]+	C11H10NO2	187.062775	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH138	Tryptophan [M+H-NH3]+	NA	187.0628	7.04	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH138	Tryptophan [M+H-NH3]+	NA	187.0628	7.04	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH138	Tryptophan [M+H-NH3]+	NA	187.0628	7.04	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH138	Tryptophan [M+H-NH3]+	NA	187.0628	7.04	Inhousejuil11	NA	NA
+HMDB00734	Indoleacrylic acid	C11H9NO2	187.06332	http://www.hmdb.ca/metabolites/HMDB00734	HMDB	NA	NA
+HMDB00734	Indoleacrylic acid	C11H9NO2	187.06332	HMDB00734	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00734	Indoleacrylic acid	C11H9NO2	187.063324	NA	HMDB2010	NA	NA
+MJ005682	2-Quinolinecarboxylic acid; N-Me, zwitterion 	C11H9NO2	187.063328	NA	MeJP	NA	NA
+MJ005683	3-(1H-Indol-3-yl)-2-propenoic acid 	C11H9NO2	187.063328	NA	MeJP	NA	NA
+MJ005684	N-(2,5-Dihydroxyphenyl)pyridinium(1+) 	C11H10NO2(+)	187.063328	NA	MeJP	NA	NA
+MJ005685	4-Methyl-2-quinazolinecarboxylic acid; Amide 	C10H9N3O	187.074561	NA	MeJP	NA	NA
+MJ005686	Amrinone 	C10H9N3O	187.074561	NA	MeJP	NA	NA
+HMDB12150	2-Keto-6-acetamidocaproate	C8H13NO4	187.084457	NA	HMDB2010	NA	NA
+MJ005687	2-Amino-4-propylidenepentanedioic acid 	C8H13NO4	187.084457	NA	MeJP	NA	NA
+MJ005688	3-Aminodihydro-2(3H)-furanone, N-(3?-Hydroxybutanoyl) 	C8H13NO4	187.084457	NA	MeJP	NA	NA
+MetaCyc01643	N2-acetyl-&alpha;-aminoadipate semialdehyde []	C8H13N1O4	187.084458	NA	metacyc	NA	NA
+MetaCyc01644	3-oxo-6-acetamidohexanoate [6-acetamido-3-oxohexanoate;]	C8H13N1O4	187.084458	NA	metacyc	NA	NA
+MetaCyc01645	2-keto-6-acetamidocaproate [2-keto-6-acetamidohexanoate;6-acetamido-2-oxohexanoate;2-oxo-6-acetamidocaproate;]	C8H13N1O4	187.084458	NA	metacyc	NA	NA
+C03682	6-Acetamido-3-oxohexanoate	C8H13NO4	187.0845	NA	KEGG	NA	NA
+C05548	6-Acetamido-2-oxohexanoate	C8H13NO4	187.0845	NA	KEGG	NA	NA
+C11842	N-(3-(S)-Hydroxybutyryl)homoserine lactone	C8H13NO4	187.0845	NA	KEGG	NA	NA
+C12988	N2-Acetyl-L-aminoadipate semialdehyde	C8H13NO4	187.0845	NA	KEGG	NA	NA
+8009	synthetic peptide	LWG	187.092	MH2+	Inhouse_peptide	NA	peptide
+MJ005689	4-Hydroxy-2-propylquinoline 	C12H13NO	187.099714	NA	MeJP	NA	NA
+MJ005690	Nafomine 	C12H13NO	187.099714	NA	MeJP	NA	NA
+C11086	Molinate	C9H17NOS	187.1031	NA	KEGG	NA	NA
+MJ005691	Imafen 	C11H13N3	187.110947	NA	MeJP	NA	NA
+C07939	Amantadine hydrochloride	C10H17N	187.1128	NA	KEGG	NA	NA
+C07940	Transferred to D00778	C10H17N	187.1128	NA	KEGG	NA	NA
+C01092	8-Amino-7-oxononanoate	C9H17NO3	187.1208	NA	KEGG	NA	NA
+C12029	(E)-2-Butenyl-4-methyl-threonine	C9H17NO3	187.1208	NA	KEGG	NA	NA
+C12030	Mycosubtilin	C37H51N12O14R	187.1208	NA	KEGG	NA	NA
+MJ005692	8-Amino-7-oxononanoate 	C9H17NO3	187.120843	NA	MeJP	NA	NA
+MJ005693	4-Aminobutanoic acid; N-(2,2-Dimethylpropanoyl) 	C9H17NO3	187.120843	NA	MeJP	NA	NA
+MJ005694	8-Amino-7-oxononanoic acid 	C9H17NO3	187.120843	NA	MeJP	NA	NA
+MetaCyc01646	8-amino-7-oxononanoate [7-keto-8-aminopelargonate;KAPA;7-KAP;]	C9H17N1O3	187.120843	NA	metacyc	NA	NA
+MJ005695	N6-(Iminoethyl)lysine 	C8H17N3O2	187.132076	NA	MeJP	NA	NA
+MJ005696	1,2,3,4,5,6-Hexahydro-1,6-methano-3-benzazocine, 3-Me 	C13H17N	187.136099	NA	MeJP	NA	NA
+MJ005697	Selegiline 	C13H17N	187.136099	NA	MeJP	NA	NA
+C04469	(+/-)-2-(4'-Isobutylphenyl)propionitrile	C13H17N	187.1361	NA	KEGG	NA	NA
+C07245	Selegiline	C13H17N	187.1361	NA	KEGG	NA	NA
+C12889	n-Decanohydroxamic acid	C10H21NO2	187.1572	NA	KEGG	NA	NA
+C12890	Transferred to D01444	C10H21NO2	187.1572	NA	KEGG	NA	NA
+CJpos0471	N1-acetylspermidine [(M+H)]+	C9H22N3O	187.167875	C18rt(min)=0.86 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0471	N1-acetylspermidine [(M+H)]+	C9H22N3O	187.167875	C18rt(min)=0.86 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.168457	NA	HMDB2010	NA	NA
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.168457	NA	HMDB2010	NA	NA
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB01276	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB02189	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB01276	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB02189	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB01276	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB02189	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB01276	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB02189	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB01276	HMDB	NA	NA
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB02189	HMDB	NA	NA
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB01276	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	http://www.hmdb.ca/metabolites/HMDB02189	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01276	N1-Acetylspermidine	C9H21N3O	187.16846	HMDB01276	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02189	N8-Acetylspermidine	C9H21N3O	187.16846	HMDB02189	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01647	an N-acetylspermidine []	C9H21N3O1	187.168462	NA	metacyc	NA	NA
+MetaCyc01648	N1-acetylspermidine []	C9H21N3O1	187.168462	34450-16-3	metacyc	NA	NA
+MetaCyc01649	N8-acetylspermidine [N-[4-(3-aminopropylamino)butyl]acetamide;]	C9H21N3O1	187.168462	34450-15-2	metacyc	NA	NA
+C00612	N1-Acetylspermidine	C9H21N3O	187.1685	NA	KEGG	NA	NA
+C00613	Protein-L-arginine	C7H13N5O2R2	187.1685	NA	KEGG	NA	NA
+C00614	Protein glutamate	C6H8N2O4R2	187.1685	NA	KEGG	NA	NA
+C00615	Protein histidine	C7H8N4O2R2	187.1685	NA	KEGG	NA	NA
+C01029	N8-Acetylspermidine	C9H21N3O	187.1685	NA	KEGG	NA	NA
+3372	ACE inhibitor from b-CN (179-181)	PYP	187.5835	MH2+	Inhouse_peptide	NA	peptide
+MJ005698	1,2,3,5,6-Pentathiepane 	C2H4S5	187.891653	NA	MeJP	NA	NA
+C08382	Lenthionine	C2H4S5	187.8917	NA	KEGG	NA	NA
+MJ005699	2-Bromo-1,4-benzenediol 	C6H5BrO2	187.947292	NA	MeJP	NA	NA
+MetaCyc01650	4-bromoresorcinol [2-bromobenzene-1,5-diol;1,3-benzenediol, 4-bromo-;]	C6H5O2BR1	187.947292	NA	metacyc	NA	NA
+C14843	4-Bromocatechol	C6H5BrO2	187.9473	NA	KEGG	NA	NA
+C14845	4-Bromophenol-2,3-epoxide	C6H5BrO2	187.9473	NA	KEGG	NA	NA
+MJ005700	4-Bromo-1H-pyrrole-2-carboxylic acid; Amide 	C5H5BrN2O	187.958525	NA	MeJP	NA	NA
+MJ005701	5-Bromo-1H-pyrrole-2-carboxylic acid; Amide 	C5H5BrN2O	187.958525	NA	MeJP	NA	NA
+MJ005702	2,3-Dimercapto-1-propanesulfonic acid 	C3H8O3S3	187.963556	NA	MeJP	NA	NA
+C10922	2,3-Dimercaptopropane-1-sulfonic acid	C3H8O3S3	187.9636	NA	KEGG	NA	NA
+MJ005703	Octafluoropropane 	C3F8	187.987225	NA	MeJP	NA	NA
+MJ005704	2-Chloro-3,6-dihydroxy-5-methyl-1,4-benzoquinone 	C7H5ClO4	187.987636	NA	MeJP	NA	NA
+MJ005705	2-Decene-4,6,8-triynedioic acid 	C10H4O4	188.010958	NA	MeJP	NA	NA
+C06678	4-Sulfobenzyl alcohol	C7H8O4S	188.0143	NA	KEGG	NA	NA
+MJ005706	4-Sulfobenzyl alcohol 	C7H8O4S	188.014329	NA	MeJP	NA	NA
+MetaCyc01651	4-sulfobenzyl alcohol [p-sulfobenzyl alcohol;4-sulphobenzyl alcohol;]	C7H8O4S1	188.014329	NA	metacyc	NA	NA
+MetaCyc01652	4-(hydroxymethyl)benzenesulfonate [4-Sulfobenzyl alcohol;]	C7H8O4S1	188.014329	NA	metacyc	NA	NA
+C15663	CMN 131	C7H8N2S	188.0175	NA	KEGG	NA	NA
+MJ005707	3-Chloro-6-methyl-1,2,4-benzenetriol; 2-Me ether 	C8H9ClO3	188.024021	NA	MeJP	NA	NA
+MJ005708	Fluoresone 	C8H9FO2S	188.030728	NA	MeJP	NA	NA
+MJ005709	2-Butene-1,2,4-tricarboxylic acid 	C7H8O6	188.032087	NA	MeJP	NA	NA
+MJ005710	But-1-ene-1,2,4-tricarboxylate 	C7H8O6	188.032088	NA	MeJP	NA	NA
+MetaCyc01653	(E)-3-(methoxycarbonyl)pent-2-enedioate [E-3-carboxy-2-pentenedioate 6-methyl ester;monomethyl-ester-of-trans-aconitate;]	C7H8O6	188.032088	NA	metacyc	NA	NA
+MetaCyc01654	cis-homoaconitate [but-1-ene-1,2,4-tricarboxylate;homo-cis-aconitate;(Z)-1,2,4-but-1-enetricarboxylic acid;]	C7H8O6	188.032088	NA	metacyc	NA	NA
+MetaCyc01655	(E)-2-(methoxycarbonylmethyl)butenedioate []	C7H8O6	188.032088	NA	metacyc	NA	NA
+MetaCyc01656	&alpha;,&epsilon;-diketopimelate []	C7H8O6	188.032088	NA	metacyc	NA	NA
+MetaCyc01657	trans-homoaconitate [homo-trans-aconitate;(E)-1,2,4-but-1-enetricarboxylic acid;]	C7H8O6	188.032088	NA	metacyc	NA	NA
+MetaCyc01658	2-methyl-cis-aconitate [cis-2-Methylaconitate;(Z)-But-2-ene-1,2,3-tricarboxylate;2-methylaconitate;]	C7H8O6	188.032088	99-98-9	metacyc	NA	NA
+MetaCyc01659	3-carboxyhex-2-enedioate [3-carboxyhex-2-enedioate;But-1-ene-1,2,4-tricarboxylate;]	C7H8O6	188.032088	NA	metacyc	NA	NA
+HMDB06357	cis-2-Methylaconitate	C7H8O6	188.032089	NA	HMDB2010	NA	NA
+HMDB06357	cis-2-Methylaconitate	C7H8O6	188.03209	http://www.hmdb.ca/metabolites/HMDB06357	HMDB	NA	NA
+HMDB06357	cis-2-Methylaconitate	C7H8O6	188.03209	HMDB06357	PFEM_hmdb_metabocards_official	NA	NA
+C04002	(Z)-But-1-ene-1,2,4-tricarboxylate	C7H8O6	188.0321	NA	KEGG	NA	NA
+C04225	(Z)-But-2-ene-1,2,3-tricarboxylate	C7H8O6	188.0321	NA	KEGG	NA	NA
+C11514	(E)-3-(Methoxycarbonyl)pent-2-enedioate	C7H8O6	188.0321	NA	KEGG	NA	NA
+C11515	(E)-2-(Methoxycarbonylmethyl)butenedioate	C7H8O6	188.0321	NA	KEGG	NA	NA
+C16579	trans-Homoaconitate	C7H8O6	188.0321	NA	KEGG	NA	NA
+C16581	D-threo-Aldono-1,5-lactone	C5H7O5R	188.0321	NA	KEGG	NA	NA
+MJ005711	4-Chlorobiphenyl 	C12H9Cl	188.039278	NA	MeJP	NA	NA
+C06584	4-Chlorobiphenyl	C12H9Cl	188.0393	NA	KEGG	NA	NA
+C14353	2-Chlorobiphenyl	C12H9Cl	188.0393	NA	KEGG	NA	NA
+MJ005712	Enteromycin 	C6H8N2O5	188.043321	NA	MeJP	NA	NA
+C03203	1-Hydroxy-2-naphthoate	C11H8O3	188.0473	NA	KEGG	NA	NA
+C10387	Plumbagin	C11H8O3	188.0473	NA	KEGG	NA	NA
+C10398	Ramentaceone	C11H8O3	188.0473	NA	KEGG	NA	NA
+C16212	3-Hydroxy-2-naphthoate	C11H8O3	188.0473	NA	KEGG	NA	NA
+MJ005713	10-Hydroxy-8-decene-2,4,6-triynoic acid, Me ester 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005714	2-(4-Methyl-2-furanyl)-1,4-benzoquinone 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005715	2-Benzoyl-3-hydroxyfuran 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005716	2-Hydroxy-1,4-naphthoquinone; Me ether 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005717	2-Hydroxy-3-methyl-1,4-naphthoquinone 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005718	5-Hydroxy-2-methyl-1,4-naphthoquinone 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005719	5-Hydroxy-7-methyl-1,4-naphthoquinone 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MJ005720	8-Hydroxy-2-methyl-1,4-naphthoquinone 	C11H8O3	188.047344	NA	MeJP	NA	NA
+MetaCyc01660	1-hydroxy-2-naphthoate []	C11H8O3	188.047344	NA	metacyc	NA	NA
+MetaCyc01661	plumbagine [plumbagin;]	C11H8O3	188.047344	NA	metacyc	NA	NA
+MJ005721	2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetic acid; Nitrile 	C10H8N2O2	188.058577	NA	MeJP	NA	NA
+MJ005722	2-Acetyl-4(3H)-quinazolinone 	C10H8N2O2	188.058577	NA	MeJP	NA	NA
+MJ005723	3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one 	C10H8N2O2	188.058577	NA	MeJP	NA	NA
+MJ005724	4-Methyl-2-quinazolinecarboxylic acid 	C10H8N2O2	188.058577	NA	MeJP	NA	NA
+MJ005725	8-Hydroxy-4-quinolinecarboxaldehyde; Oxime 	C10H8N2O2	188.058577	NA	MeJP	NA	NA
+MJ005726	Damirone A; N1,N5-Di-de-Me 	C10H8N2O2	188.058577	NA	MeJP	NA	NA
+MJ005727	1-(Methylthio)-5-phenyl-1-penten-3-yne 	C12H12S	188.065971	NA	MeJP	NA	NA
+CJpos0472	Tryptophan isomer [(M+H)-(NH3)]+ (13C)	C1013CH10NO2	188.066175	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0472	Tryptophan isomer [(M+H)-(NH3)]+ (13C)	C1013CH10NO2	188.066175	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005728	3,5-Dihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one 	C8H12O5	188.068473	NA	MeJP	NA	NA
+MJ005729	Monocrotalic acid 	C8H12O5	188.068473	NA	MeJP	NA	NA
+MJ005730	Penicillic acid; 5,6-Dihydro, 6-hydroxy 	C8H12O5	188.068473	NA	MeJP	NA	NA
+MJ005731	Tetrahydro-2,5-furandiacetic acid 	C8H12O5	188.068473	NA	MeJP	NA	NA
+MetaCyc01662	&alpha;-ketosuberate [2-oxooctanedionic acid;]	C8H12O5	188.068473	NA	metacyc	NA	NA
+C16589	2-Oxosuberate	C8H12O5	188.0685	NA	KEGG	NA	NA
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	PFEM_hmdb_metabocards_urine	NA	urine
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	HMDB	NA	NA
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	Inhouse_PFEM	NA	NA
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	1.64	Inhousejuil11	NA	NA
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	PFEM_hmdb_metabocards_blood	NA	blood
+JH107	N-acetyl-L-glutamine [M+H]+	C7H12N2O4	188.0795	Rtobs1.64	PFEM_hmdb_metabocards_official	NA	NA
+MJ005732	?-Amino-3-hydroxy-2-oxo-3-azetidinebutanoic acid 	C7H12N2O4	188.079706	NA	MeJP	NA	NA
+MJ005733	Aceglutamide 	C7H12N2O4	188.079706	NA	MeJP	NA	NA
+HMDB06029	N-Acetylglutamine	C7H12N2O4	188.07971	http://www.hmdb.ca/metabolites/HMDB06029	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06029	N-Acetylglutamine	C7H12N2O4	188.07971	http://www.hmdb.ca/metabolites/HMDB06029	HMDB	NA	NA
+HMDB06029	N-Acetylglutamine	C7H12N2O4	188.07971	http://www.hmdb.ca/metabolites/HMDB06029	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06029	N-Acetylglutamine	C7H12N2O4	188.07971	HMDB06029	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06029	N-Acetylglutamine	C7H12N2O4	188.079712	NA	HMDB2010	NA	NA
+HMDB11173	L-glycyl-L-hydroxyproline	C7H12N2O4	188.079712	NA	HMDB2010	NA	NA
+C06589	cis-2,3-Dihydro-2,3-dihydroxybiphenyl	C12H12O2	188.0837	NA	KEGG	NA	NA
+C06592	NDP-N-methyl-L-glucosamine	C12H24NO14P2R	188.0837	NA	KEGG	NA	NA
+C16924	Butylidenephthalide	C12H12O2	188.0837	NA	KEGG	NA	NA
+MJ005734	cis-2,3-Dihydro-2,3-dihydroxybiphenyl 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005735	1,8-Decadiene-3,6-diyn-5-ol, Ac 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005736	1,8-Naphthalenediol; Di-Me ether 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005737	2,2-Dimethyl-5-phenyl-3(2H)-furanone 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005738	2,8-Decadiene-4,6-diyn-1-ol, Ac 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005739	2-Isopropyl-4H-1-benzopyran-4-one 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005740	2-Methylene-3-buten-1-ol; Benzoyl 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005741	3,4,7-Trimethyl-2H-1-benzopyran-2-one 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005742	3-(2-Methylpropylidene)-1(3H)-isobenzofuranone 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005743	3-Butylidene-1(3H)-isobenzofuranone 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005744	3-Methyl-1,8-naphthalenediol; 8-Me ether 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005745	3-Propyl-1H-2-benzopyran-1-one 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005746	4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Alcohol 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MJ005747	Fomannoxin 	C12H12O2	188.083729	NA	MeJP	NA	NA
+MetaCyc01663	cis-3-phenylcyclohexa-3,5-diene-1,2-diol [cis-2,3-dihydro-2,3-dihydroxybiphenyl;]	C12H12O2	188.08373	NA	metacyc	NA	NA
+MetaCyc01664	(1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol []	C12H12O2	188.08373	NA	metacyc	NA	NA
+MJ005748	Glutamine, N2-Carbamoyl, amide 	C6H12N4O3	188.09094	NA	MeJP	NA	NA
+MJ005749	Gongrine 	C6H12N4O3	188.09094	NA	MeJP	NA	NA
+MJ005750	Streptolidine 	C6H12N4O3	188.09094	NA	MeJP	NA	NA
+MJ005751	1,2,3,4-Tetrahydro-6-hydroxy-?-carboline 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005752	1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline; 1-Hydroxy 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005753	1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline; N-Oxide 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005754	1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005755	2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; 9-Alcohol 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005756	2-Ethyl-1-methyl-4(1H)-quinazolinone 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005757	5-(4-Aminophenyl)-2,4-pentadienoic acid; Amide 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005758	Cytisine, 11,12-Didehydro 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005759	Cytisine, 12,13-Didehydro 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+MJ005760	Peganine 	C11H12N2O	188.094963	NA	MeJP	NA	NA
+C10733	Peganine	C11H12N2O	188.095	NA	KEGG	NA	NA
+MJ005761	1,4-Butanediamine; N-[3-(Methylthio)-2-propenoyl](E-) 	C8H16N2OS	188.098333	NA	MeJP	NA	NA
+HMDB00784	Azelaic acid	C9H16O4	188.104858	NA	HMDB2010	NA	NA
+HMDB11717	Nonate	C9H16O4	188.104858	NA	HMDB2010	NA	NA
+MJ005762	2-Butyl-3-methylbutanedioic acid 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005763	Aspinonene 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005764	Cerberidol; 5?,9?-Epoxide 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005765	Cyclocerberidol 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005766	Dihydro-3-(1-hydroxybutyl)-4-(hydroxymethyl)-2(3H)-furanone 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005767	Eucommiol 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005768	Isoaspinonene 	C9H16O4	188.104859	NA	MeJP	NA	NA
+MJ005769	Nonanedioic acid 	C9H16O4	188.104859	NA	MeJP	NA	NA
+HMDB00784	Azelaic acid	C9H16O4	188.10486	http://www.hmdb.ca/metabolites/HMDB00784	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00784	Azelaic acid	C9H16O4	188.10486	http://www.hmdb.ca/metabolites/HMDB00784	HMDB	NA	NA
+HMDB00784	Azelaic acid	C9H16O4	188.10486	http://www.hmdb.ca/metabolites/HMDB00784	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00784	Azelaic acid	C9H16O4	188.10486	HMDB00784	PFEM_hmdb_metabocards_official	NA	NA
+EUR628	azelaic acid	[M+H]+	188.1049	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR628	azelaic acid	[M+H]+	188.1049	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR628	azelaic acid	[M+H]+	188.1049	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR628	azelaic acid	[M+H]+	188.1049	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C08261	Azelaic acid	C9H16O4	188.1049	NA	KEGG	NA	NA
+3172	dipeptidyl-aminopeptidase IV inhibitor	VA	188.105	celiac toxic	Inhouse_peptide	NA	peptide
+7595	ACE inhibitor	IG	188.105	antioxidative	Inhouse_peptide	NA	peptide
+7596	ACE inhibitor	GI	188.105	antioxidative	Inhouse_peptide	NA	peptide
+7599	ACE inhibitor	GL	188.105	antioxidative	Inhouse_peptide	NA	peptide
+7619	ACE inhibitor	LG	188.105	antioxidative	Inhouse_peptide	NA	peptide
+CJneg0289	Azelaic acid [(M-H)]-	C9H15O4	188.105425	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0289	Azelaic acid [(M-H)]-	C9H15O4	188.105425	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	HMDB	NA	NA
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	Inhouse_PFEM	NA	NA
+MLBis002	azelaic acid	NA	188.1055	189.1127	Inhouse_sept12	NA	NA
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis002	azelaic acid	HMDB00784_RT8.21_add	188.1055	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00206	N6-Acetyl-L-lysine	C8H16N2O3	188.116089	NA	HMDB2010	NA	NA
+HMDB00446	N-Alpha-acetyllysine	C8H16N2O3	188.116089	NA	HMDB2010	NA	NA
+HMDB00759	Glycyl-L-leucine	C8H16N2O3	188.116089	NA	HMDB2010	NA	NA
+HMDB00206	N6-Acetyl-L-lysine	C8H16N2O3	188.11609	http://www.hmdb.ca/metabolites/HMDB00206	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00206	N6-Acetyl-L-lysine	C8H16N2O3	188.11609	http://www.hmdb.ca/metabolites/HMDB00206	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00206	N6-Acetyl-L-lysine	C8H16N2O3	188.11609	http://www.hmdb.ca/metabolites/HMDB00206	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00206	N6-Acetyl-L-lysine	C8H16N2O3	188.11609	http://www.hmdb.ca/metabolites/HMDB00206	HMDB	NA	NA
+HMDB00446	N-alpha-Acetyllysine	C8H16N2O3	188.11609	http://www.hmdb.ca/metabolites/HMDB00446	HMDB	NA	NA
+HMDB00759	Glycyl-L-leucine	C8H16N2O3	188.11609	http://www.hmdb.ca/metabolites/HMDB00759	HMDB	NA	NA
+HMDB00206	N6-Acetyl-L-lysine	C8H16N2O3	188.11609	HMDB00206	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00446	N-alpha-Acetyllysine	C8H16N2O3	188.11609	HMDB00446	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00759	Glycyl-L-leucine	C8H16N2O3	188.11609	HMDB00759	PFEM_hmdb_metabocards_official	NA	NA
+MJ005770	Glutamine, N5-Isopropyl 	C8H16N2O3	188.116092	NA	MeJP	NA	NA
+MJ005771	Lysine, N2-Ac 	C8H16N2O3	188.116092	NA	MeJP	NA	NA
+MJ005772	Lysine, N6-Ac 	C8H16N2O3	188.116092	NA	MeJP	NA	NA
+MJ005773	N6-Acetyl-L-lysine 	C8H16N2O3	188.116092	NA	MeJP	NA	NA
+MetaCyc01665	N2-acetyl-L-Lysine []	C8H16N2O3	188.116092	NA	metacyc	NA	NA
+MetaCyc01666	3-amino-6-acetamidohexanoate [6-acetamido-3-aminohexanoate;]	C8H16N2O3	188.116092	NA	metacyc	NA	NA
+MetaCyc01667	&epsilon;-N-acetyl-L-lysine [acetyllysine;N-&epsilon;-acetyllysine;]	C8H16N2O3	188.116092	692-04-6	metacyc	NA	NA
+MetaCyc01668	N6-acetyl-L-lysine [&epsilon;-N-acetyl-L-lysine;]	C8H16N2O3	188.116092	NA	metacyc	NA	NA
+C02155	Glycyl-leucine	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C02158	Hydroxypro-Xaa	C7H11N2O4R	188.1161	NA	KEGG	NA	NA
+C02727	N6-Acetyl-L-lysine	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C03846	6-Acetamido-3-aminohexanoate	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C03847	6-Phospho-beta-D-galactoside	C6H12O9PR	188.1161	NA	KEGG	NA	NA
+C12989	N2-Acetyl-L-lysine	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C12990	Transferred to D01535	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C12991	Transferred to D01536	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C12992	Transferred to D01537	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C12993	Transferred to D02588	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C12994	Transferred to D01538	C8H16N2O3	188.1161	NA	KEGG	NA	NA
+C12995	Laureth 4	C12H26O	188.1161	NA	KEGG	NA	NA
+C12996	Transferred to D01540	C12H26O	188.1161	NA	KEGG	NA	NA
+C12997	Transferred to D01541	C12H26O	188.1161	NA	KEGG	NA	NA
+C12998	Transferred to D01542	C12H26O	188.1161	NA	KEGG	NA	NA
+C12999	Transferred to D01543	C12H26O	188.1161	NA	KEGG	NA	NA
+C13000	Transferred to D01544	C12H26O	188.1161	NA	KEGG	NA	NA
+C13001	Transferred to D01545	C12H26O	188.1161	NA	KEGG	NA	NA
+C13002	Transferred to D01546	C12H26O	188.1161	NA	KEGG	NA	NA
+C13003	Transferred to D01547	C12H26O	188.1161	NA	KEGG	NA	NA
+C13004	Transferred to D01548	C12H26O	188.1161	NA	KEGG	NA	NA
+C13005	Transferred to D01549	C12H26O	188.1161	NA	KEGG	NA	NA
+C13006	Transferred to D01550	C12H26O	188.1161	NA	KEGG	NA	NA
+C13007	Transferred to D01551	C12H26O	188.1161	NA	KEGG	NA	NA
+PJ000027	GL 	C8H16N2O3	188.1161	NA	PeJP	NA	NA
+MJ005774	1,5-Tridecadiene-7,9-diyn-4-ol 	C13H16O	188.120115	NA	MeJP	NA	NA
+MJ005775	4-(2,3,4-Trimethylphenyl)-3-buten-2-one 	C13H16O	188.120115	NA	MeJP	NA	NA
+MJ005776	4-(3,3-Dimethyl-1,4-pentadienyl)phenol 	C13H16O	188.120115	NA	MeJP	NA	NA
+MJ005777	5,11-Tridecadiene-7,9-diyn-4-ol 	C13H16O	188.120115	NA	MeJP	NA	NA
+MJ005778	5-Methyl-2-phenyl-2-hexenal 	C13H16O	188.120115	NA	MeJP	NA	NA
+MJ005779	7-Phenyl-4-hepten-3-one 	C13H16O	188.120115	NA	MeJP	NA	NA
+MJ005780	8,10-Tridecadiene-4,6-diyn-1-ol 	C13H16O	188.120115	NA	MeJP	NA	NA
+C01924	Homoarginine	C7H16N4O2	188.1273	NA	KEGG	NA	NA
+C03884	Ngamma-Monomethyl-L-arginine	C7H16N4O2	188.1273	NA	KEGG	NA	NA
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	PFEM_hmdb_metabocards_urine	NA	urine
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	HMDB	NA	NA
+HMDB00670	Homo-L-arginine	C7H16N4O2	188.127319	NA	HMDB2010	NA	NA
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	Inhouse_PFEM	NA	NA
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	Inhousejuil11	NA	NA
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	PFEM_hmdb_metabocards_blood	NA	blood
+LABER062	homoarginine	NA	188.127319	RT 1.81 fragt 172.1080, 144.1131, 130.0862	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00670	Homo-L-arginine	C7H16N4O2	188.12732	NA  ;SYN:2-Amino-2-methylpropanoate; 2-Amino-2-methylpropanoic acid; 2-Aminoisobutyrate; 2-Aminoisobutyric acid; 2-Methylalanine; AIB; a-Aminoisobutanoate; a-Aminoisobutanoic acid; a-Aminoisobutyrate; a-Aminoisobutyric acid; a-Methylalanine; alpha-Aminoisobutanoate; alpha-Aminoisobutanoic acid; alpha-Aminoisobutyrate; alpha-Aminoisobutyric acid; alpha-MethylalanineH2Blood	Inhouse_peptide	NA	peptide
+MJ005781	2-Methylarginine 	C7H16N4O2	188.127325	NA	MeJP	NA	NA
+MJ005782	3-Amino-5-guanidinopentanoic acid; N3-Me 	C7H16N4O2	188.127325	NA	MeJP	NA	NA
+MJ005783	Blastidic acid 	C7H16N4O2	188.127325	NA	MeJP	NA	NA
+MJ005784	Homoarginine 	C7H16N4O2	188.127325	NA	MeJP	NA	NA
+MJ005785	NG-Methylarginine 	C7H16N4O2	188.127325	NA	MeJP	NA	NA
+HMDB00670	Homo-L-arginine	C7H16N4O2	188.12733	http://www.hmdb.ca/metabolites/HMDB00670	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00670	Homo-L-arginine	C7H16N4O2	188.12733	http://www.hmdb.ca/metabolites/HMDB00670	HMDB	NA	NA
+HMDB00670	Homo-L-arginine	C7H16N4O2	188.12733	http://www.hmdb.ca/metabolites/HMDB00670	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00670	Homo-L-arginine	C7H16N4O2	188.12733	HMDB00670	PFEM_hmdb_metabocards_official	NA	NA
+C08302	N,N-Dimethyltryptamine	C12H16N2	188.1313	NA	KEGG	NA	NA
+HMDB05973	Dimethyltryptamine	C12H16N2	188.131348	NA	HMDB2010	NA	NA
+MJ005786	1,2,3,4,6,7,8,9-Octahydrophenazine 	C12H16N2	188.131348	NA	MeJP	NA	NA
+MJ005787	1,3,4,6,7,11b-Hexahydro-2H-pyrazino[2,1-a]isoquinoline 	C12H16N2	188.131348	NA	MeJP	NA	NA
+MJ005788	3-(2-Aminobutyl)indole 	C12H16N2	188.131348	NA	MeJP	NA	NA
+MJ005789	Fenproporex 	C12H16N2	188.131348	NA	MeJP	NA	NA
+MJ005790	Ipidacrine 	C12H16N2	188.131348	NA	MeJP	NA	NA
+MJ005791	N,N-Dimethyltryptamine 	C12H16N2	188.131348	NA	MeJP	NA	NA
+MJ005792	3-(Dimethylaminomethyl)indole; N-Me 	C12H17N2(+)	188.131348	NA	MeJP	NA	NA
+HMDB05973	dimethyltryptamine	C12H16N2	188.13135	http://www.hmdb.ca/metabolites/HMDB05973	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB05973	dimethyltryptamine	C12H16N2	188.13135	http://www.hmdb.ca/metabolites/HMDB05973	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB05973	dimethyltryptamine	C12H16N2	188.13135	http://www.hmdb.ca/metabolites/HMDB05973	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB05973	dimethyltryptamine	C12H16N2	188.13135	http://www.hmdb.ca/metabolites/HMDB05973	HMDB	NA	NA
+HMDB05973	dimethyltryptamine	C12H16N2	188.13135	HMDB05973	PFEM_hmdb_metabocards_official	NA	NA
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.1412	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.1412	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.1412	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.1412	Wishlist	Inhousejuil11	NA	NA
+C02774	10-Hydroxydecanoic acid	C10H20O3	188.1412	NA	KEGG	NA	NA
+C18067	6-Hydroxy-3,7-dimethyloctanoate	C10H20O3	188.1412	NA	KEGG	NA	NA
+HMDB02203	3-Hydroxycapric acid	C10H20O3	188.14124	http://www.hmdb.ca/metabolites/HMDB02203	HMDB	NA	NA
+HMDB02203	3-Hydroxycapric acid	C10H20O3	188.14124	HMDB02203	PFEM_hmdb_metabocards_official	NA	NA
+MJ005793	2,5-Dimethyl-4-vinyl-2,3,5-hexanetriol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005794	2,6-Dimethyl-7-octene-2,3,6-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005795	3-Hydroxydecanoic acid 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005796	5-Hydroxydecanoic acid 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005797	6-Hydroxydecanoic acid 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005798	7-Hydroxydecanoic acid 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005799	7-Methyl-3-methylene-1,6,7-octanetriol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005800	8-Decene-1,3,5-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005801	9-Hydroxydecanoic acid 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005802	Promoxolane 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005803	p-Menthane-1,2,3-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005804	p-Menthane-1,2,4-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005805	p-Menthane-1,7,8-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005806	p-Menthane-1,8,9-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+MJ005807	p-Menthane-2,8,9-triol 	C10H20O3	188.141244	NA	MeJP	NA	NA
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	HMDB	NA	NA
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc01669	10-hydroxydecanoate []	C10H20O3	188.141245	1679-53-4	metacyc	NA	NA
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR003	4-hydroxy-hex-2-enal-diethylacetal	C10H20O3	188.141245	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02203	3-Hydroxycapric acid	C10H20O3	188.141251	NA	HMDB2010	NA	NA
+HMDB10725	(R)-3-Hydroxydecanoic acid	C10H20O3	188.141251	NA	HMDB2010	NA	NA
+MJ005808	6-N-Trimethyllysine betaine 	C9H20N2O2	188.152477	NA	MeJP	NA	NA
+MJ005809	7,8-Diaminononanoate 	C9H20N2O2	188.152477	NA	MeJP	NA	NA
+MJ005810	N6,N6,N6-Trimethyl-L-lysine 	C9H20N2O2	188.152477	NA	MeJP	NA	NA
+MetaCyc01670	N6,N6,N6-trimethyl-L-lysine [(5-amino-5-carboxylato-pentyl)-trimethyl-ammonium;]	C9H20N2O2	188.152478	NA	metacyc	NA	NA
+MetaCyc01671	7,8-diaminononanoate [7,8-diaminopelargonate;DAPA;]	C9H20N2O2	188.152478	NA	metacyc	NA	NA
+HMDB01325	N6,N6,N6-Trimethyl-L-lysine	C9H20N2O2	188.15248	http://www.hmdb.ca/metabolites/HMDB01325	HMDB	NA	NA
+HMDB01325	N6,N6,N6-Trimethyl-L-lysine	C9H20N2O2	188.15248	HMDB01325	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01325	N6,N6,N6-Trimethyl-L-lysine	C9H20N2O2	188.152481	NA	HMDB2010	NA	NA
+C01037	7,8-Diaminononanoate	C9H20N2O2	188.1525	NA	KEGG	NA	NA
+C01038	Coagulation Factor X	C9H20N2O2	188.1525	NA	KEGG	NA	NA
+C03793	N6,N6,N6-Trimethyl-L-lysine	C9H20N2O2	188.1525	NA	KEGG	NA	NA
+MJ005811	1,2,3,4-Tetrahydro-1,1,5,6-tetramethylnaphthalene 	C14H20	188.1565	NA	MeJP	NA	NA
+MJ005812	1,2,3,4-Tetrahydro-2,2,7,8-tetramethylnaphthalene 	C14H20	188.1565	NA	MeJP	NA	NA
+MJ005813	6-(4-Methylphenyl)-1-hexene 	C14H20	188.1565	NA	MeJP	NA	NA
+CJpos0473	N1-acetylspermidine [(M+H)]+ (13C)	C813CH22N3O	188.171275	C18rt(min)=0.86 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0473	N1-acetylspermidine [(M+H)]+ (13C)	C813CH22N3O	188.171275	C18rt(min)=0.86 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005814	4,6-Dimethyl-3,7-nonanediol 	C11H24O2	188.17763	NA	MeJP	NA	NA
+MJ005815	7,9-Dodecadien-1-ol, Ac 	C11H24O2	188.17763	NA	MeJP	NA	NA
+MJ005816	N,N'-Bis(3-aminopropyl)-1,3-propanediamine 	C9H24N4	188.200096	NA	MeJP	NA	NA
+3505	ACE inhibitor (beta-CN fr,59-61)	VYP	188.5915	MH2+	Inhouse_peptide	NA	peptide
+7634	ACE inhibitor from k-CN (fr, 21-23)	YVP	188.5915	MH2+	Inhouse_peptide	NA	peptide
+C10934	2,6-Dichlorobenzamide	C7H5Cl2NO	188.9748	NA	KEGG	NA	NA
+MJ005817	Nifurmerone 	C6H4ClNO4	188.982885	NA	MeJP	NA	NA
+HMDB04823	Lanthionine ketimine	C6H7NO4S	189.00958	http://www.hmdb.ca/metabolites/HMDB04823	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04823	Lanthionine ketimine	C6H7NO4S	189.00958	http://www.hmdb.ca/metabolites/HMDB04823	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04823	Lanthionine ketimine	C6H7NO4S	189.00958	http://www.hmdb.ca/metabolites/HMDB04823	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04823	Lanthionine ketimine	C6H7NO4S	189.00958	http://www.hmdb.ca/metabolites/HMDB04823	HMDB	NA	NA
+HMDB04823	Lanthionine ketimine	C6H7NO4S	189.00958	HMDB04823	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04823	Lanthionine ketimine	C6H7NO4S	189.009583	NA	HMDB2010	NA	NA
+C11327	2-Pyridyl hydroxymethane sulfonic acid	C6H7NO4S	189.0096	NA	KEGG	NA	NA
+CJneg0290	Creatine [(M-H)+(NaCl)]-	C4H8ClN3NaO2	189.028625	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0290	Creatine [(M-H)+(NaCl)]-	C4H8ClN3NaO2	189.028625	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005818	Quisqualic acid 	C5H7N3O5	189.03857	NA	MeJP	NA	NA
+C08296	Quisqualic acid	C5H7N3O5	189.0386	NA	KEGG	NA	NA
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	PFEM_hmdb_metabocards_urine	NA	urine
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	12.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	12.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	12.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	HMDB	NA	NA
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	Inhouse_PFEM	NA	NA
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	12.5	Inhousejuil11	NA	NA
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	PFEM_hmdb_metabocards_blood	NA	blood
+JH111	Kynurenic acid [M+H]+	C10H7NO3	189.042	Rtobs12.5	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0474	Kynurenic acid [(M+H)]+	C10H8NO3	189.042075	C18rt(min)=5.39 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0474	Kynurenic acid [(M+H)]+	C10H8NO3	189.042075	C18rt(min)=5.39 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00715	Kynurenic acid	C10H7NO3	189.042587	NA	HMDB2010	NA	NA
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	http://www.hmdb.ca/metabolites/HMDB00715	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	http://www.hmdb.ca/metabolites/HMDB00715	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	http://www.hmdb.ca/metabolites/HMDB00715	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	http://www.hmdb.ca/metabolites/HMDB00715	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	http://www.hmdb.ca/metabolites/HMDB00715	HMDB	NA	NA
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	http://www.hmdb.ca/metabolites/HMDB00715	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00715	Kynurenic acid	C10H7NO3	189.04259	HMDB00715	PFEM_hmdb_metabocards_official	NA	NA
+MJ005819	2-Hydroxy-4-quinolinecarboxylic acid; NH-form 	C10H7NO3	189.042593	NA	MeJP	NA	NA
+MJ005820	3-Hydroxy-2-quinolinecarboxylic acid 	C10H7NO3	189.042593	NA	MeJP	NA	NA
+MJ005821	4-Hydroxy-2-quinolinecarboxylic acid 	C10H7NO3	189.042593	NA	MeJP	NA	NA
+MJ005822	6,7-Methylenedioxyisoquinolone 	C10H7NO3	189.042593	NA	MeJP	NA	NA
+MJ005823	4-Hydroxy-2-quinolinecarboxylic acid 	C10H7NO3	189.042593	NA	MeJP	NA	NA
+MJ005824	N-Acetylisatin 	C10H7NO3	189.042593	NA	MeJP	NA	NA
+MetaCyc01672	N-acetylisatin []	C10H7N1O3	189.042593	574-17-4	metacyc	NA	NA
+MetaCyc01673	kynurenate [kynurenic acid;kynurenate;]	C10H7N1O3	189.042593	492-27-3	metacyc	NA	NA
+MetaCyc01674	indole-3-glyoxylate []	C10H7N1O3	189.042593	NA	metacyc	NA	NA
+C01717	4-Hydroxy-2-quinolinecarboxylic acid	C10H7NO3	189.0426	NA	KEGG	NA	NA
+C02172	N-Acetylisatin	C10H7NO3	189.0426	NA	KEGG	NA	NA
+C02173	N-Acylmuramate	C10H16NO8R	189.0426	NA	KEGG	NA	NA
+C02174	Oligophosphate	C10H16NO8R	189.0426	NA	KEGG	NA	NA
+C02179	Peptidyl amide	C2H5N2OR	189.0426	NA	KEGG	NA	NA
+C14800	1-Nitronaphthalene-5,6-oxide	C10H7NO3	189.0426	NA	KEGG	NA	NA
+C14802	1-Nitronaphthalene-7,8-oxide	C10H7NO3	189.0426	NA	KEGG	NA	NA
+C16715	2-Oxo-1,2-dihydroquinoline-4-carboxylate	C10H7NO3	189.0426	NA	KEGG	NA	NA
+CJneg0291	kynurenic acid [(M-H)]-	C10H6NO3	189.043125	C18rt(min)=5.39 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0291	kynurenic acid [(M-H)]-	C10H6NO3	189.043125	C18rt(min)=5.39 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005825	Thiotepa 	C6H12N3PS	189.048954	NA	MeJP	NA	NA
+C07641	Thiotepa	C6H12N3PS	189.049	NA	KEGG	NA	NA
+JH169	Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+	NA	189.055	15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH169	Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+	NA	189.055	15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH169	Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+	NA	189.055	15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH169	Trimethoxycinnamic acid (3,4,5-) [M+H-H20-OCH3]+	NA	189.055	15.69	Inhousejuil11	NA	NA
+3353	Antithrombotic peptide	SSGE	189.0635	MH2+	Inhouse_peptide	NA	peptide
+C00624	N-Acetyl-L-glutamate	C7H11NO5	189.0637	NA	KEGG	NA	NA
+C00625	N-Acyl-D-mannosamine	C7H12NO6R	189.0637	NA	KEGG	NA	NA
+C03871	L-2-Amino-6-oxoheptanedioate	C7H11NO5	189.0637	NA	KEGG	NA	NA
+C12109	AminoDHQ	C7H11NO5	189.0637	NA	KEGG	NA	NA
+HMDB01138	N-Acetylglutamic acid	C7H11NO5	189.06372	http://www.hmdb.ca/metabolites/HMDB01138	HMDB	NA	NA
+HMDB01138	N-Acetylglutamic acid	C7H11NO5	189.06372	HMDB01138	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00590	Glutarylglycine	C7H11NO5	189.063721	NA	HMDB2010	NA	NA
+HMDB01138	N-Acetylglutamic acid	C7H11NO5	189.063721	NA	HMDB2010	NA	NA
+MJ005826	Glutamic acid, N-Ac 	C7H11NO5	189.063722	NA	MeJP	NA	NA
+MJ005827	L-2-Amino-6-oxoheptanedioate 	C7H11NO5	189.063722	NA	MeJP	NA	NA
+MJ005828	N-Acetyl-L-glutamate 	C7H11NO5	189.063722	NA	MeJP	NA	NA
+MetaCyc01675	L-&alpha;-amino-&epsilon;-keto-pimelate [L-2-Amino-6-oxopimelate;L-2-Amino-6-oxoheptanedioate;]	C7H11N1O5	189.063722	NA	metacyc	NA	NA
+MetaCyc01676	N-acetyl-L-glutamate [N-acetylglutamic acid;acetyl-glu;N-acetyl-glutamate;acetyl-glutamate;N-acetyl L-glutamic acid;NAG;]	C7H11N1O5	189.063722	1188-37-0	metacyc	NA	NA
+7624	ACE inhibitor	NG	189.0639	antioxidative	Inhouse_peptide	NA	peptide
+MJ005829	1-Isothiocyanato-6-(methylthio)hexane 	C8H15NS2	189.06459	NA	MeJP	NA	NA
+CJpos0475	Tryptophan isomer [(M+H)-(NH3)]+ (13C2)	C913C2H10NO2	189.069475	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0475	Tryptophan isomer [(M+H)-(NH3)]+ (13C2)	C913C2H10NO2	189.069475	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005830	Caracemide 	C6H11N3O4	189.074955	NA	MeJP	NA	NA
+MJ005831	Glycylglycylglycine 	C6H11N3O4	189.074955	NA	MeJP	NA	NA
+C03140	N-Amidino-L-glutamate	C6H11N3O4	189.075	NA	KEGG	NA	NA
+PJ000028	GN 	C6H11N3O4	189.075	NA	PeJP	NA	NA
+MJ005832	1H-Indole-3-acetic acid; Me ester 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005833	1H-Indole-3-propanoic acid 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005834	2,4-Quinolinediol; 2-One-form, 4-Me ether, N-Me 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005835	2,4-Quinolinediol; Diol-form, Di-Me ether 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005836	3-Phenyl-2,5-pyrrolidinedione, N-Me 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005837	5-(4-Aminophenyl)-2,4-pentadienoic acid 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005838	6,7-Dihydroxy-1-methylisoquinoline; 6-Me ether 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005839	6,7-Isoquinolinediol; Di-Me ether 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005840	7,8-Isoquinolinediol; Di-Me ether 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005841	Louisianin B; 5-Ketone 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+MJ005842	Racemigerine 	C11H11NO2	189.078978	NA	MeJP	NA	NA
+HMDB02302	3-Indolepropionic acid	C11H11NO2	189.078979	NA	HMDB2010	NA	NA
+HMDB02302	3-Indolepropionic acid	C11H11NO2	189.07898	http://www.hmdb.ca/metabolites/HMDB02302	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02302	3-Indolepropionic acid	C11H11NO2	189.07898	http://www.hmdb.ca/metabolites/HMDB02302	HMDB	NA	NA
+HMDB02302	3-Indolepropionic acid	C11H11NO2	189.07898	http://www.hmdb.ca/metabolites/HMDB02302	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02302	3-Indolepropionic acid	C11H11NO2	189.07898	HMDB02302	PFEM_hmdb_metabocards_official	NA	NA
+C07437	Phensuximide	C11H11NO2	189.079	NA	KEGG	NA	NA
+C09348	Backebergine	C11H11NO2	189.079	NA	KEGG	NA	NA
+C12345	1,3-Dimethyl-6,8-isoquinolinediol	C11H11NO2	189.079	NA	KEGG	NA	NA
+8221	antioxidative peptide	TSTA	189.0815	MH2+	Inhouse_peptide	NA	peptide
+C06751	Prenyl-L-cysteine	C8H15NO2S	189.0823	NA	KEGG	NA	NA
+MJ005843	Prenisteine 	C8H15NO2S	189.082349	NA	MeJP	NA	NA
+MetaCyc01677	S-prenyl-L-cysteine [prenyl-L-cysteine;S-prenyl-L-cysteine;]	C8H15N1O2S1	189.082349	NA	metacyc	NA	NA
+HMDB12286	S-Prenyl-L-cysteine	C8H15NO2S	189.082352	NA	HMDB2010	NA	NA
+MJ005844	2-Imino-3-methyl-1-phenyl-4-imidazolidinone 	C10H11N3O	189.090211	NA	MeJP	NA	NA
+MJ005845	Agaricone 	C10H11N3O	189.090211	NA	MeJP	NA	NA
+MJ005846	Crotoniazide 	C10H11N3O	189.090211	NA	MeJP	NA	NA
+MJ005847	Tambjamine A 	C10H11N3O	189.090211	NA	MeJP	NA	NA
+C02256	Castanospermine	C8H15NO4	189.1001	NA	KEGG	NA	NA
+C02257	Cereal D-glucan	C8H15NO4	189.1001	NA	KEGG	NA	NA
+C02259	Collagen type X	C8H15NO4	189.1001	NA	KEGG	NA	NA
+C06326	(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate	C8H15NO4	189.1001	NA	KEGG	NA	NA
+C10124	Alexine	C8H15NO4	189.1001	NA	KEGG	NA	NA
+C10132	Australine	C8H15NO4	189.1001	NA	KEGG	NA	NA
+C11843	2 -(Butylamido)-4-hydroxybutanoic acid	C8H15NO4	189.1001	NA	KEGG	NA	NA
+MJ005848	1,2,7-Trihydroxy-3-(hydroxymethyl)-1H-pyrrolizidine 	C8H15NO4	189.100107	NA	MeJP	NA	NA
+MJ005849	2-Amino-4-methylheptanedioic acid 	C8H15NO4	189.100107	NA	MeJP	NA	NA
+MJ005850	8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, N-Me 	C8H15NO4	189.100107	NA	MeJP	NA	NA
+MJ005851	Castanospermine 	C8H15NO4	189.100107	NA	MeJP	NA	NA
+MJ005852	Swainsonine; N-Oxide 	C8H15NO4	189.100107	NA	MeJP	NA	NA
+MetaCyc01678	(2S)-2-{[1-(R)-carboxyethyl]amino}pentanoate []	C8H15N1O4	189.100108	NA	metacyc	NA	NA
+CJneg0292	Stachydrine (Proline betaine) [(M-H)+(HCOOH)]-	C8H14NO4	189.100625	C18rt(min)=0.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0292	Stachydrine (Proline betaine) [(M-H)+(HCOOH)]-	C8H14NO4	189.100625	C18rt(min)=0.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB03933	Pentosidine	C17H26N6O4	189.100769	MH2+	Inhouse_peptide	NA	peptide
+CJneg0293	Azelaic acid [(M-H)]- (13C)	C813CH15O4	189.108725	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0293	Azelaic acid [(M-H)]- (13C)	C813CH15O4	189.108725	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02427	L-Homocitrulline	C7H15N3O3	189.1113	NA	KEGG	NA	NA
+C02429	L-Leucyl-protein	C8H15N2O3R	189.1113	NA	KEGG	NA	NA
+C02430	L-Methionyl-tRNA	C20H30N6O11PSR	189.1113	NA	KEGG	NA	NA
+HMDB00679	Homocitrulline	C7H15N3O3	189.11134	http://www.hmdb.ca/metabolites/HMDB00679	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00679	Homocitrulline	C7H15N3O3	189.11134	http://www.hmdb.ca/metabolites/HMDB00679	HMDB	NA	NA
+HMDB00679	Homocitrulline	C7H15N3O3	189.11134	Polypeptides  ;SYN:3-(Phenylalanine)-8-lysine oxytocin; 8-L-Lysine vasopressin; ADH; Antidiuretic hormone; Diapid; Pitressin; Pitressin Tannate; PressynH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB00679	Homocitrulline	C7H15N3O3	189.11134	http://www.hmdb.ca/metabolites/HMDB00679	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00679	Homocitrulline	C7H15N3O3	189.11134	HMDB00679	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01679	L-homocitrulline [homocitrulline;]	C7H15N3O3	189.111341	1190-49-4	metacyc	NA	NA
+HMDB00679	Homocitrulline	C7H15N3O3	189.111343	NA	HMDB2010	NA	NA
+MJ005853	Boschniakine, N-Et 	C12H16NO(+)	189.115364	NA	MeJP	NA	NA
+MetaCyc01680	1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine N- oxide []	C12H15N1O1	189.115364	NA	metacyc	NA	NA
+C04731	1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide	C12H15NO	189.1154	NA	KEGG	NA	NA
+C11081	EPTC	C9H19NOS	189.1187	NA	KEGG	NA	NA
+C17251	8-Methylthiooctanaldoxime	C9H19NOS	189.1187	NA	KEGG	NA	NA
+MJ005854	2,3,6-Trideoxy-3-dimethylamino-ribo-hexose; ?-L-Pyranose-form, Me glycoside 	C9H19NO3	189.136493	NA	MeJP	NA	NA
+MJ005855	2,3,6-Trideoxy-3-dimethylamino-ribo-hexose; ?-L-Pyranose-form, Me glycoside 	C9H19NO3	189.136493	NA	MeJP	NA	NA
+C18172	Carboxyspermidine	C8H19N3O2	189.1477	NA	KEGG	NA	NA
+MJ005856	2-(6-Methyl-2,4-octadienyl)-1H-pyrrole 	C13H19N	189.151749	NA	MeJP	NA	NA
+MJ005857	3-Methylpyrrolidine, N-(2-Phenylethyl) 	C13H19N	189.151749	NA	MeJP	NA	NA
+MJ005858	5,6,7,8-Tetrahydro-5-methyl-2-propylquinoline 	C13H19N	189.151749	NA	MeJP	NA	NA
+MJ005859	Enefexine 	C13H19N	189.151749	NA	MeJP	NA	NA
+C14690	Tetraethylenepentamine	C8H23N5	189.1953	NA	KEGG	NA	NA
+7922	synthetic peptide	SHH	189.574	MH2+	Inhouse_peptide	NA	peptide
+7638	ACE inhibitor from tuna muscles	LTF	189.5995	MH2+	Inhouse_peptide	NA	peptide
+MJ005860	Sodium disulfite 	Na2O5S2	189.898253	NA	MeJP	NA	NA
+C06670	2,4-Dichlorobenzoate	C7H4Cl2O2	189.9588	NA	KEGG	NA	NA
+MJ005861	2,4-Dichlorobenzoate 	C7H4Cl2O2	189.958834	NA	MeJP	NA	NA
+C14842	Bromobenzene-2,3-dihydrodiol	C6H7BrO2	189.9629	NA	KEGG	NA	NA
+C14844	Bromobenzene-3,4-dihydrodiol	C6H7BrO2	189.9629	NA	KEGG	NA	NA
+MJ005862	4-Sulfocatechol 	C6H6O5S	189.993594	NA	MeJP	NA	NA
+MetaCyc01681	3-sulfocatechol [3SC;2,3-dihydroxybenzenesulfonate;]	C6H6O5S1	189.993594	NA	metacyc	NA	NA
+C06336	3-Sulfocatechol	C6H6O5S	189.9936	NA	KEGG	NA	NA
+C06674	4-Sulfocatechol	C6H6O5S	189.9936	NA	KEGG	NA	NA
+CJneg0294	pyrocatechol sulfate isomer [(M-H)]-	C6H5O5S	189.994125	C18rt(min)=4.88 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0294	pyrocatechol sulfate isomer [(M-H)]-	C6H5O5S	189.994125	C18rt(min)=4.88 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005863	2,4-Dichloro-3,5-dimethylphenol 	C8H8Cl2O	189.99522	NA	MeJP	NA	NA
+HMDB03974	Oxalosuccinic acid	C6H6O7	190.01135	http://www.hmdb.ca/metabolites/HMDB03974	HMDB	NA	NA
+HMDB03974	Oxalosuccinic acid	C6H6O7	190.01135	HMDB03974	PFEM_hmdb_metabocards_official	NA	NA
+MJ005864	Oxalosuccinate 	C6H6O7	190.011352	NA	MeJP	NA	NA
+HMDB03974	Oxalosuccinic acid	C6H6O7	190.011353	NA	HMDB2010	NA	NA
+MetaCyc01682	oxalosuccinate [oxalo-succ;]	C6H6O7	190.011353	NA	metacyc	NA	NA
+C05379	Oxalosuccinate	C6H6O7	190.0114	NA	KEGG	NA	NA
+C04110	3,5-Dihydroxy-1,4-naphthoquinone	C10H6O4	190.0266	NA	KEGG	NA	NA
+C18078	Ayapin	C10H6O4	190.0266	NA	KEGG	NA	NA
+MJ005865	2,4,6-Decatriynedioic acid 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005866	2,5-Dihydroxy-1,4-naphthoquinone 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005867	2,8-Decadiene-4,6-diynedioic acid 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005868	2,8-Dihydroxy-1,4-naphthoquinone 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005869	2-Oxo-2H-1-benzopyran-4-carboxylic acid 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005870	4-Oxo-4H-1-benzopyran-2-carboxylic acid 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005871	6,7-Methylenedioxy-2H-1-benzopyran-2-one 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005872	6,7-Methylenedioxy-4H-1-benzopyran-4-one 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005873	7,8-Dihydroxy-2H-1-benzopyran-2-one; Methylene ether 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005874	7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxaldehyde 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MJ005875	Cerberinic acid 	C10H6O4	190.026608	NA	MeJP	NA	NA
+MetaCyc01683	3,5-dihydroxy-1,4-naphthoquinone []	C10H6O4	190.026609	NA	metacyc	NA	NA
+CJpos0476	Glutamine [(M-H+2Na)]+	C5H9N2Na2O3	190.032475	C18rt(min)=0.87 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0476	Glutamine [(M-H+2Na)]+	C5H9N2Na2O3	190.032475	C18rt(min)=0.87 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03474	4-Nitroquinoline N-oxide	C9H6N2O3	190.0378	NA	KEGG	NA	NA
+C03475	5'-Phosphopolynucleotide	C10H18O13P2R2	190.0378	NA	KEGG	NA	NA
+MJ005876	8-Hydroxy-5-nitroquinoline 	C9H6N2O3	190.037842	NA	MeJP	NA	NA
+MetaCyc01684	4-nitroquinoline-N-oxide []	C9H6N2O3	190.037842	NA	metacyc	NA	NA
+CJpos0477	Kynurenic acid [(M+H)]+ (13C)	C913CH8NO3	190.045375	C18rt(min)=5.39 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0477	Kynurenic acid [(M+H)]+ (13C)	C913CH8NO3	190.045375	C18rt(min)=5.39 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0295	kynurenic acid [(M-H)]- (13C)	C913CH6NO3	190.046525	C18rt(min)=5.39 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0295	kynurenic acid [(M-H)]- (13C)	C913CH6NO3	190.046525	C18rt(min)=5.39 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00944	3-Dehydroquinate	C7H10O6	190.0477	NA	KEGG	NA	NA
+C04049	4-Hydroxy-4-methyl-2-oxoadipate	C7H10O6	190.0477	NA	KEGG	NA	NA
+C05601	4-Hydroxy-2-oxo-heptanedioate	C7H10O6	190.0477	NA	KEGG	NA	NA
+C06201	2,4-Dihydroxyhept-2-enedioate	C7H10O6	190.0477	NA	KEGG	NA	NA
+MJ005877	4-Hydroxy-2-oxoheptanedioic acid 	C7H10O6	190.047738	NA	MeJP	NA	NA
+MJ005878	2,4-Dihydroxyhept-2-enedioate 	C7H10O6	190.047738	NA	MeJP	NA	NA
+MJ005879	3-Dehydroquinate 	C7H10O6	190.047738	NA	MeJP	NA	NA
+MJ005880	4-Hydroxy-2-ketopimelate 	C7H10O6	190.047738	NA	MeJP	NA	NA
+MetaCyc01685	3-dehydroquinate [3-dehydroquinic acid;5-dehydroquinic acid;5-dehydroquinate;5-de-H-quinate;]	C7H10O6	190.047738	10534-44-8	metacyc	NA	NA
+MetaCyc01686	4-hydroxy-2-ketopimelate [2-oxo-4-hydroxyhepta-1,7-dioate;2-keto-4-hydroxypimelate;]	C7H10O6	190.047738	NA	metacyc	NA	NA
+7620	ACE inhibitor	GD	190.0479	antioxidative	Inhouse_peptide	NA	peptide
+7681	ACE inhibitor from soy	DG	190.0479	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc01687	2-oxindole-3-acetate [2-indolinone-3-acetic acid;2-oxindole-3-acetic acid;2-indolinone-3-acetate;]	C10H8N1O3	190.050418	NA	metacyc	NA	NA
+MJ005881	N-Carbamyl-L-glutamate 	C6H10N2O5	190.058971	NA	MeJP	NA	NA
+MJ005882	2-Amino-4-(oxalylamino)butanoic acid 	C6H10N2O5	190.058971	NA	MeJP	NA	NA
+MJ005883	4-Amino-2-(oxalylamino)butanoic acid 	C6H10N2O5	190.058971	NA	MeJP	NA	NA
+MJ005884	Alahopcin; Dealanyl 	C6H10N2O5	190.058971	NA	MeJP	NA	NA
+MJ005885	Glutamic acid, N-Carbamoyl 	C6H10N2O5	190.058971	NA	MeJP	NA	NA
+MetaCyc01688	N-carbamyl-L-glutamate []	C6H10N2O5	190.058971	NA	metacyc	NA	NA
+HMDB11165	L-beta-aspartyl-L-glycine	C6H10N2O5	190.058975	NA	HMDB2010	NA	NA
+C05829	N-Carbamyl-L-glutamate	C6H10N2O5	190.059	NA	KEGG	NA	NA
+C08266	L-alpha-Amino-gamma-oxalylaminobutyric acid	C6H10N2O5	190.059	NA	KEGG	NA	NA
+PJ000029	GD 	C6H10N2O5	190.059	NA	PeJP	NA	NA
+MJ005886	Giracodazole 	C6H11ClN4O	190.062138	NA	MeJP	NA	NA
+MJ005887	1-(5-Benzofuranyl)-2-hydroxy-1-propanone 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005888	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, Me ester 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005889	2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005890	3-Hydroxy-5-phenylpentanoic acid 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005891	4-Hydroxy-5,6-undecadiene-8,10-diynoic acid 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005892	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; Me ether 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005893	5-(4-Hydroxyphenyl)-2,4-pentadienoic acid 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005894	5-Acetyl-7-hydroxybenzofuran; Me ether 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005895	5-Hydroxy-1,3-indanedione; Enol-form, Di-Me ether 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005896	5-Hydroxy-2,7-dimethyl-4H-1-benzopyran-4-one 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005897	5-Hydroxy-4-methyl-2H-1-benzopyran-2-one; Me ether 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005898	7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005899	7-Hydroxy-6-methyl-2H-1-benzopyran-2-one; Me ether 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005900	7-Methyl-1,4,5-naphthalenetriol 	C11H10O3	190.062994	NA	MeJP	NA	NA
+MJ005901	8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one 	C11H10O3	190.062994	NA	MeJP	NA	NA
+C11052	7-Ethoxycoumarin	C11H10O3	190.063	NA	KEGG	NA	NA
+C14105	1,2-Dihydroxy-7-hydroxymethylnaphthalene	C11H10O3	190.063	NA	KEGG	NA	NA
+C15102	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid	C11H10O3	190.063	NA	KEGG	NA	NA
+C17916	Coixinden A	C11H10O3	190.063	NA	KEGG	NA	NA
+C17220	2-Oxo-7-methylthioheptanoic acid	C8H14O3S	190.0664	NA	KEGG	NA	NA
+CJpos0478	Kynurenine isomer [(M+H)-(H2O)]+	C10H11N2O2	190.073675	C18rt(min)=4.46 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0478	Kynurenine isomer [(M+H)-(H2O)]+	C10H11N2O2	190.073675	C18rt(min)=4.46 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C17204	Indole-3-acetaldoxime N-oxide	C10H10N2O2	190.0742	NA	KEGG	NA	NA
+MJ005902	1H-Benzimidazole-2-propanoic acid 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+MJ005903	2,4(1H,3H)-Quinazolinedione; Di-NH-form, 1,3-Di-Me 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+MJ005904	2,5-Di-1-aziridinylbenzoquinone 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+MJ005905	2-(1-Hydroxyethyl)-4(3H)-quinazolinone 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+MJ005906	3,4-Dihydro-5-(2-pyridinyl)-2H-pyrrole-2-carboxylic acid 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+MJ005907	4-Methoxy-2,2'-bipyrrole-5-carboxaldehyde 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+MJ005908	6-Hydroxy-1H-indole-3-acetic acid; Amide 	C10H10N2O2	190.074227	NA	MeJP	NA	NA
+C11015	Aldicarb	C7H14N2O2S	190.0776	NA	KEGG	NA	NA
+CJpos0479	Hydroxysuberic acid isomer [(M+H)]+	C8H15O5	190.083575	C18rt(min)=4.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0480	Hydroxysuberic acid isomer [(M+H)]+	C8H15O5	190.083575	C18rt(min)=5.15 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0479	Hydroxysuberic acid isomer [(M+H)]+	C8H15O5	190.083575	C18rt(min)=4.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0480	Hydroxysuberic acid isomer [(M+H)]+	C8H15O5	190.083575	C18rt(min)=5.15 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+8032	synthetic peptide	PHQ	190.084	MH2+	Inhouse_peptide	NA	peptide
+C04546	(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	C8H14O5	190.0841	NA	KEGG	NA	NA
+HMDB00325	3-Hydroxysuberic acid	C8H14O5	190.08412	http://www.hmdb.ca/metabolites/HMDB00325	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00325	3-Hydroxysuberic acid	C8H14O5	190.08412	http://www.hmdb.ca/metabolites/HMDB00325	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00325	3-Hydroxysuberic acid	C8H14O5	190.08412	http://www.hmdb.ca/metabolites/HMDB00325	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00325	3-Hydroxysuberic acid	C8H14O5	190.08412	http://www.hmdb.ca/metabolites/HMDB00325	HMDB	NA	NA
+HMDB00325	3-Hydroxysuberic acid	C8H14O5	190.08412	HMDB00325	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00325	3-Hydroxysuberic acid	C8H14O5	190.084122	NA	HMDB2010	NA	NA
+MJ005909	2,6-Dideoxy-lyxo-hexose, 3-Ac 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MJ005910	2-Hydroxy-2-(2-methylpropyl)butanedioic acid 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MJ005911	3-Hydroxy-2,3,4-trimethylpentanedioic acid 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MJ005912	3-Hydroxybutanoic acid, 3-O-(3R-Hydroxybutanoyl) 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MJ005913	4-C-Acetyl-2,6-dideoxy-xylo-hexose 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MJ005914	Sphydrofuran 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MJ005915	(R)-3-((R)-3-Hydroxybutanoyloxy)-butanoate 	C8H14O5	190.084123	NA	MeJP	NA	NA
+MetaCyc01689	(R)-3-((R)-3-hydroxybutanoyloxy)-butanoate []	C8H14O5	190.084124	NA	metacyc	NA	NA
+CJneg0296	Hydroxysuberic acid isomer [(M-H)]-	C8H13O5	190.084625	C18rt(min)=4.9 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0297	Hydroxysuberic acid isomer [(M-H)]-	C8H13O5	190.084625	C18rt(min)=5.15 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0298	6-(2-hydroxyethoxy)-6-oxohexanoic acid  [(M-H)]-	C8H13O5	190.084625	C18rt(min)=5.35 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0299	6-(carboxymethoxy)-hexanoic acid [(M-H)]-	C8H13O5	190.084625	C18rt(min)=5.65 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0300	Hydroxysuberic acid isomer [(M-H)]-	C8H13O5	190.084625	C18rt(min)=6.3 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0296	Hydroxysuberic acid isomer [(M-H)]-	C8H13O5	190.084625	C18rt(min)=4.9 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0297	Hydroxysuberic acid isomer [(M-H)]-	C8H13O5	190.084625	C18rt(min)=5.15 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0298	6-(2-hydroxyethoxy)-6-oxohexanoic acid  [(M-H)]-	C8H13O5	190.084625	C18rt(min)=5.35 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0299	6-(carboxymethoxy)-hexanoic acid [(M-H)]-	C8H13O5	190.084625	C18rt(min)=5.65 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0300	Hydroxysuberic acid isomer [(M-H)]-	C8H13O5	190.084625	C18rt(min)=6.3 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ005916	1-Azabicyclo[2.2.2]octan-3-one; O-Methyloxime; hydrochloride 	C8H15ClN2O	190.08729	NA	MeJP	NA	NA
+HMDB01370	Diaminopimelic acid	C7H14N2O4	190.095352	NA	HMDB2010	NA	NA
+MJ005917	LL-2,6-Diaminoheptanedioate 	C7H14N2O4	190.095356	NA	MeJP	NA	NA
+MJ005918	meso-2,6-Diaminoheptanedioate 	C7H14N2O4	190.095356	NA	MeJP	NA	NA
+MJ005919	2,4-Diaminobutanoic acid, 4-(2-Hydroxypropanoyl) 	C7H14N2O4	190.095356	NA	MeJP	NA	NA
+MJ005920	Rhizobitoxin 	C7H14N2O4	190.095356	NA	MeJP	NA	NA
+MetaCyc01690	meso-diaminopimelate [meso-2,6-diaminopimelate;meso-A2pm;meso-diaminoheptanedioate;meso-2,6-diaminoheptanedioate;meso-1-&alpha;,&epsilon;-diaminopimelate;D,L-diaminopimelate;D,L-DAP;D,L-meso-diaminoheptanedioate;M-DAP;]	C7H14N2O4	190.095357	922-54-3	metacyc	NA	NA
+MetaCyc01691	L,L-diaminopimelate [L,L-A2pm;L,L-DAP;L,L-2,6-diaminopimelate;L,L-2,6-diaminoheptanedioate;]	C7H14N2O4	190.095357	14289-34-0	metacyc	NA	NA
+MetaCyc01692	D,D-diaminopimelate [D,D-A2pm;DD-2,6-diaminopeptanedioate;D,D-&alpha;-&epsilon;-diaminopimelate;D,D-2,6-diaminopimelate;D,D-DAP;]	C7H14N2O4	190.095357	NA	metacyc	NA	NA
+HMDB01370	Diaminopimelic acid	C7H14N2O4	190.09537	http://www.hmdb.ca/metabolites/HMDB01370	HMDB	NA	NA
+HMDB01370	Diaminopimelic acid	C7H14N2O4	190.09537	HMDB01370	PFEM_hmdb_metabocards_official	NA	NA
+C00666	LL-2,6-Diaminoheptanedioate	C7H14N2O4	190.0954	NA	KEGG	NA	NA
+C00667	Oxidized adrenal ferredoxin	C7H14N2O4	190.0954	NA	KEGG	NA	NA
+C00680	meso-2,6-Diaminoheptanedioate	C7H14N2O4	190.0954	NA	KEGG	NA	NA
+C00681	1-Acyl-sn-glycerol 3-phosphate	C4H8O7PR	190.0954	NA	KEGG	NA	NA
+PJ000030	AT 	C7H14N2O4	190.0954	NA	PeJP	NA	NA
+3750	dipeptidyl carboxypeptidase inhibitor	PPPA	190.0965	MH2+	Inhouse_peptide	NA	peptide
+3771	dipeptidyl carboxypeptidase inhibitor	PPAP	190.0965	MH2+	Inhouse_peptide	NA	peptide
+MJ005921	Dihydralazine 	C8H10N6	190.096694	NA	MeJP	NA	NA
+MJ005922	2,2,8-Trimethyl-2H-1-benzopyran-6-ol 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005923	2,2-Dimethyl-2H-1-benzopyran-6-ol; Me ether 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005924	2,2-Dimethyl-2H-1-benzopyran-7-ol; Me ether 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005925	2,2-Dimethyl-2H-1-benzopyran-8-ol; Me ether 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005926	2,3-Dihydro-6-methoxy-2-(1-methylethenyl)benzofuran 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005927	2,6,8-Decatrien-4-yn-1-ol, Ac 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005928	2-Decene-4,6-diyn-1-ol, Ac 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005929	2-Decene-4,6-diynoic acid, Et ester 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005930	2-Hydroxy-6-pentylbenzyl alcohol; 1',2',3',4'-Tetradehydro(E,E-) 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005931	2-Methyl-5-prenylbenzoquinone 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005932	3,4-Dihydro-4-hydroxy-2,7-dimethyl-1(2H)-naphthalenone 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005933	3,4-Dihydro-4-hydroxy-3,6-dimethyl-1(2H)-naphthalenone 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005934	3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005935	3,4-Dihydro-5-hydroxy-4,7-dimethyl-1(2H)-naphthalenone 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005936	3,5,7,9,11-Dodecapentaenoic acid 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005937	3,7-Dimethyl-5-indanecarboxylic acid 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005938	3-(2-Methylpropylidene)-1(3H)-isobenzofuranone, 3a,4-Dihydro 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005939	3-Butyl-1(3H)-isobenzofuranone 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005940	3-Methyl-2-butenoic acid; Benzyl ester 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005941	4-(1,3-Butadienyl)-1,2-dimethoxybenzene 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005942	4-Hydroxybenzaldehyde; O-(3-Methyl-2-butenyl) 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005943	8-Decene-4,6-diyn-1-ol, Ac 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005944	Fomannoxin, 4''-Alcohol 	C12H14O2	190.099379	NA	MeJP	NA	NA
+MJ005945	Ligustilide 	C12H14O2	190.099379	NA	MeJP	NA	NA
+C06360	Propyl cinnamate	C12H14O2	190.0994	NA	KEGG	NA	NA
+C06361	Anthocyanidin-3,5-diglucoside	C27H29O15R2	190.0994	NA	KEGG	NA	NA
+C06362	Hydroxycinnamoyl-CoA	C27H29O15R2	190.0994	NA	KEGG	NA	NA
+C06363	Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside	C27H29O15R2	190.0994	NA	KEGG	NA	NA
+C06364	1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol	C11H16O10R2	190.0994	NA	KEGG	NA	NA
+C06365	Glc-alpha1->2Glc-alpha1->3acyl2Gro	C17H26O15R2	190.0994	NA	KEGG	NA	NA
+C08452	Ichthyotherol	C12H14O2	190.0994	NA	KEGG	NA	NA
+C09017	Precocene 1	C12H14O2	190.0994	NA	KEGG	NA	NA
+C12459	3-Dimethylallyl-4-hydroxybenzaldehyde	C12H14O2	190.0994	NA	KEGG	NA	NA
+C12460	3-Dimethylallyl-beta-hydroxy-L-tyrosyl-[pcp]	C14H18NO3SR	190.0994	NA	KEGG	NA	NA
+C12461	L-Tyrosyl-[pcp]	C9H10NO2SR	190.0994	NA	KEGG	NA	NA
+C12462	beta-Hydroxy-L-tyrosyl-[pcp]	C9H10NO3SR	190.0994	NA	KEGG	NA	NA
+C12463	beta-Keto-L-tyrosyl-[pcp]	C9H8NO3SR	190.0994	NA	KEGG	NA	NA
+C12464	3-Methyl-beta-keto-L-tyrosyl-[pcp]	C10H10NO3SR	190.0994	NA	KEGG	NA	NA
+C12465	2-Hydroxy-3-methyl-beta-keto-L-tyrosyl-[pcp]	C10H10NO4SR	190.0994	NA	KEGG	NA	NA
+C16987	Ligustilide	C12H14O2	190.0994	NA	KEGG	NA	NA
+8028	synthetic peptide	PHK	190.102	MH2+	Inhouse_peptide	NA	peptide
+HMDB04224	N-(omega)-Hydroxyarginine	C6H14N4O3	190.10658	http://www.hmdb.ca/metabolites/HMDB04224	HMDB	NA	NA
+HMDB04224	N-(omega)-Hydroxyarginine	C6H14N4O3	190.10658	HMDB04224	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04224	N-(o)-Hydroxyarginine	C6H14N4O3	190.106583	NA	HMDB2010	NA	NA
+MJ005946	N-(omega)-Hydroxyarginine 	C6H14N4O3	190.10659	NA	MeJP	NA	NA
+MJ005947	4-Hydroxyarginine 	C6H14N4O3	190.10659	NA	MeJP	NA	NA
+MJ005948	N5-Hydroxyarginine 	C6H14N4O3	190.10659	NA	MeJP	NA	NA
+C05933	N-(omega)-Hydroxyarginine	C6H14N4O3	190.1066	NA	KEGG	NA	NA
+C08284	gamma-Hydroxy-L-arginine	C6H14N4O3	190.1066	NA	KEGG	NA	NA
+C05659	5-Methoxytryptamine	C11H14N2O	190.1106	NA	KEGG	NA	NA
+C06212	N-Methylserotonin	C11H14N2O	190.1106	NA	KEGG	NA	NA
+C10763	Cytisine	C11H14N2O	190.1106	NA	KEGG	NA	NA
+C13665	2-Methyl-5-hydroxytryptamine	C11H14N2O	190.1106	NA	KEGG	NA	NA
+HMDB04095	5-Methoxytryptamine	C11H14N2O	190.11061	http://www.hmdb.ca/metabolites/HMDB04095	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04095	5-Methoxytryptamine	C11H14N2O	190.11061	http://www.hmdb.ca/metabolites/HMDB04095	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04095	5-Methoxytryptamine	C11H14N2O	190.11061	http://www.hmdb.ca/metabolites/HMDB04095	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04095	5-Methoxytryptamine	C11H14N2O	190.11061	http://www.hmdb.ca/metabolites/HMDB04095	HMDB	NA	NA
+HMDB04369	N-Methylserotonin	C11H14N2O	190.11061	http://www.hmdb.ca/metabolites/HMDB04369	HMDB	NA	NA
+HMDB04095	5-Methoxytryptamine	C11H14N2O	190.11061	HMDB04095	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04369	N-Methylserotonin	C11H14N2O	190.11061	HMDB04369	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04095	5-Methoxytryptamine	C11H14N2O	190.110611	NA	HMDB2010	NA	NA
+HMDB04369	N-Methylserotonin	C11H14N2O	190.110611	NA	HMDB2010	NA	NA
+MJ005949	2-Hydroxytryptamine; Nb-Me 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005950	3-(2-Aminoethyl)-5-hydroxy-2-methylindole 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005951	3-(2-Aminopropyl)-1H-indol-5-ol 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005952	3-(2-Pyrrolidinyl)pyridine, N-Ac 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005953	3-(Dimethylaminomethyl)indole; N-Oxide 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005954	5-Hydroxytryptamine; Nb-Me 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005955	6-Hydroxytryptamine; Me ether 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005956	Alline 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005957	Cytisine 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005958	N-Methyltryptamine; Nb-Hydroxy 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005959	5-Methoxytryptamine 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005960	N-Methylserotonin 	C11H14N2O	190.110613	NA	MeJP	NA	NA
+MJ005961	Diptocarpaine; S-Deoxo 	C8H18N2OS	190.113983	NA	MeJP	NA	NA
+MJ005962	Crescentin IV 	C9H18O4	190.120509	NA	MeJP	NA	NA
+MJ005963	2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol; 8-Ketone 	C13H18O	190.135765	NA	MeJP	NA	NA
+MJ005964	3,5,8-Megastigmatrien-7-one 	C13H18O	190.135765	NA	MeJP	NA	NA
+MJ005965	3-(4-Isopropylphenyl)-2-methylpropanal 	C13H18O	190.135765	NA	MeJP	NA	NA
+MJ005966	4,6,8-Megastigmatrien-3-one 	C13H18O	190.135765	NA	MeJP	NA	NA
+MJ005967	4,7,9-Megastigmatrien-3-one 	C13H18O	190.135765	NA	MeJP	NA	NA
+MJ005968	10-Fluorodecanoic acid 	C10H19FO2	190.136908	NA	MeJP	NA	NA
+MJ005969	3-(2-Pyrrolidinyl)pyridine, N-Isopropyl 	C12H18N2	190.146998	NA	MeJP	NA	NA
+MJ005970	3,5,7-Trimethyl-2,4,6,8-undecatetraene 	C14H22	190.17215	NA	MeJP	NA	NA
+MJ005971	Khusitene 	C14H22	190.17215	NA	MeJP	NA	NA
+MJ005972	Senedigitalene 	C14H22	190.17215	NA	MeJP	NA	NA
+MJ005973	Sesquifenchene 	C14H22	190.17215	NA	MeJP	NA	NA
+3352	Antihrombotic peptide	WGC	190.55	MH2+	Inhouse_peptide	NA	peptide
+8024	synthetic peptide	PHE	190.576	MH2+	Inhouse_peptide	NA	peptide
+7498	ACE inhibitor from as2-CN	TVY	190.589	MH2+	Inhouse_peptide	NA	peptide
+7479	ACE inhibitor	HLL	190.613	MH2+	Inhouse_peptide	NA	peptide
+7993	synthetic peptide	LHI	190.613	MH2+	Inhouse_peptide	NA	peptide
+7995	synthetic peptide	LHL	190.613	MH2+	Inhouse_peptide	NA	peptide
+MJ005974	2,2,2-Trichloroethanol; Urethane 	C3H4Cl3NO2	190.930761	NA	MeJP	NA	NA
+MJ005975	Chloralformamide 	C3H4Cl3NO2	190.930761	NA	MeJP	NA	NA
+MetaCyc01693	2-chloromaleylacetate []	C6H4O5CL1	190.974726	NA	metacyc	NA	NA
+MJ005976	3,5-Dichloro-4-hydroxy-2,6-dimethylpyridine 	C7H7Cl2NO	190.990469	NA	MeJP	NA	NA
+CJneg0301	pyrocatechol sulfate isomer [(M-H)]- (13C)	C513CH5O5S	190.997525	C18rt(min)=4.88 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0301	pyrocatechol sulfate isomer [(M-H)]- (13C)	C513CH5O5S	190.997525	C18rt(min)=4.88 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB06795	Thioredoxin	C6H9NO2S2	191.00748	http://www.hmdb.ca/metabolites/HMDB06795	HMDB	NA	NA
+HMDB06795	Thioredoxin	C6H9NO2S2	191.00748	HMDB06795	PFEM_hmdb_metabocards_official	NA	NA
+C17938	5,6-Indolequinone-2-carboxylic acid	C9H5NO4	191.0219	NA	KEGG	NA	NA
+MJ005977	Tetrahydro-1,4-thiazine-3,5-dicarboxylic acid 	C6H9NO4S	191.025228	NA	MeJP	NA	NA
+CJneg0302	Creatine [(M-H)+(NaCl)]- (37Cl)	C4H8Cl037ClN3NaO2	191.025725	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0302	Creatine [(M-H)+(NaCl)]- (37Cl)	C4H8Cl037ClN3NaO2	191.025725	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH164	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+	NA	191.0339	13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH164	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+	NA	191.0339	13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH164	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+	NA	191.0339	13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH164	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H2O-CH3]+	NA	191.0339	13.56	Inhousejuil11	NA	NA
+MJ005978	2-(Methylthio)-1H-indole-3-carboxaldehyde 	C10H9NOS	191.040484	NA	MeJP	NA	NA
+C11048	Brassicanal A	C10H9NOS	191.0405	NA	KEGG	NA	NA
+MJ005979	1,4:3,6-Dianhydroglucitol, 5-Nitrate 	C6H9NO6	191.042987	NA	MeJP	NA	NA
+MJ005980	2-Amino-4-hydroxybutanoic acid, O-Oxaloyl 	C6H9NO6	191.042987	NA	MeJP	NA	NA
+MJ005981	3-Amino-1,1,3-propanetricarboxylic acid 	C6H9NO6	191.042987	NA	MeJP	NA	NA
+MetaCyc01694	1-carboxyglutamate [1-carboxyglutamic acid;]	C6H9N1O6	191.042987	53445-96-8	metacyc	NA	NA
+C07714	Isosorbide mononitrate	C6H9NO6	191.043	NA	KEGG	NA	NA
+C08294	O-Oxalylhomoserine	C6H9NO6	191.043	NA	KEGG	NA	NA
+C14695	Nitrilotriacetic acid	C6H9NO6	191.043	NA	KEGG	NA	NA
+MJ005982	1-Isothiocyanato-5-(methylthio)pentane; S-Oxide 	C7H13NOS2	191.043855	NA	MeJP	NA	NA
+CJpos0481	Kynurenic acid [(M+H)]+ (18O)	C10H8NO218O	191.046275	C18rt(min)=5.39 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0481	Kynurenic acid [(M+H)]+ (18O)	C10H8NO218O	191.046275	C18rt(min)=5.39 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ005983	2,4-Diamino-5-phenylthiazole 	C9H9N3S	191.051717	NA	MeJP	NA	NA
+CJpos0482	Kynurenine isomer [(M+H)-(NH3)]+	C10H10NO3	191.057675	C18rt(min)=4.46 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0483	5-hydroxyindoleacetic acid [(M+H)]+	C10H10NO3	191.057675	C18rt(min)=5.68 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0482	Kynurenine isomer [(M+H)-(NH3)]+	C10H10NO3	191.057675	C18rt(min)=4.46 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0483	5-hydroxyindoleacetic acid [(M+H)]+	C10H10NO3	191.057675	C18rt(min)=5.68 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C05635	5-Hydroxyindoleacetate	C10H9NO3	191.0582	NA	KEGG	NA	NA
+C06725	5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline	C10H9NO3	191.0582	NA	KEGG	NA	NA
+C16596	5-Phenyl-1,3-oxazinane-2,4-dione	C10H9NO3	191.0582	NA	KEGG	NA	NA
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	http://www.hmdb.ca/metabolites/HMDB00763	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	http://www.hmdb.ca/metabolites/HMDB00763	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	http://www.hmdb.ca/metabolites/HMDB00763	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	http://www.hmdb.ca/metabolites/HMDB00763	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	http://www.hmdb.ca/metabolites/HMDB00763	HMDB	NA	NA
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	http://www.hmdb.ca/metabolites/HMDB00763	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.05824	HMDB00763	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00763	5-Hydroxyindoleacetic acid	C10H9NO3	191.058243	NA	HMDB2010	NA	NA
+MJ005984	1,2,3,4-Tetrahydro-4-oxo-2-quinolinecarboxylic acid 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005985	3,4-Dihydro-6,7-methylenedioxy-1(2H)-isoquinolinone 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005986	3-(Hydroxyacetyl)-1H-indole; 5-Hydroxy 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005987	3-Furanmethanol; O-(2-Pyrrolecarbonyl) 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005988	4,7,8-Quinolinetriol; 8-Me ether 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005989	5-Hydroxy-1H-indole-3-acetic acid 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005990	6,8-Dihydroxy-3-methyl-1(2H)-isoquinolinone 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005991	Dermadin; Me ester 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MJ005992	5-Hydroxyindoleacetate 	C10H9NO3	191.058243	NA	MeJP	NA	NA
+MetaCyc01695	indole-3-glycolate []	C10H9N1O3	191.058243	NA	metacyc	NA	NA
+MetaCyc01696	5,6-dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline [5,6-dihydroxy-3-methylhydroquinolin-2-one;]	C10H9N1O3	191.058243	NA	metacyc	NA	NA
+MetaCyc01697	5-hydroxyindole acetate []	C10H9N1O3	191.058243	54-16-0	metacyc	NA	NA
+CJneg0303	5-hydroxyindoleacetic acid [(M-H)]-	C10H8NO3	191.058825	C18rt(min)=5.68 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0303	5-hydroxyindoleacetic acid [(M-H)]-	C10H8NO3	191.058825	C18rt(min)=5.68 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02712	N-Acetylmethionine	C7H13NO3S	191.0616	NA	KEGG	NA	NA
+HMDB11745	N-Acetyl-L-methionine	C7H13NO3S	191.061615	NA	HMDB2010	NA	NA
+JH075	Methyl-L-histidine (3-) [M+Na]+	NA	191.0658	1.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH075	Methyl-L-histidine (3-) [M+Na]+	NA	191.0658	1.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH075	Methyl-L-histidine (3-) [M+Na]+	NA	191.0658	1.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH075	Methyl-L-histidine (3-) [M+Na]+	NA	191.0658	1.02	Inhousejuil11	NA	NA
+CJpos0484	Methylhistidine isomers [(M+Na)]+	C7H11N3NaO2	191.066475	C18rt(min)=0.78 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0484	Methylhistidine isomers [(M+Na)]+	C7H11N3NaO2	191.066475	C18rt(min)=0.78 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C10897	Carbendazim	C9H9N3O2	191.0695	NA	KEGG	NA	NA
+MJ005993	1-Isothiocyanato-4-phenylbutane 	C11H13NS	191.07687	NA	MeJP	NA	NA
+MJ005994	2-Amino-2-deoxyxylose; ?-D-form, N-Ac 	C7H13NO5	191.079372	NA	MeJP	NA	NA
+MJ005995	2-Amino-2-deoxyxylose; ?-L-form, N-Ac 	C7H13NO5	191.079372	NA	MeJP	NA	NA
+MJ005996	2-Amino-4-hydroxyheptanedioic acid 	C7H13NO5	191.079372	NA	MeJP	NA	NA
+MJ005997	3-Amino-3,6-dideoxyglucose, N-Formyl 	C7H13NO5	191.079372	NA	MeJP	NA	NA
+MJ005998	8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol 	C7H13NO5	191.079372	NA	MeJP	NA	NA
+MJ005999	Decilonitrose 	C7H13NO5	191.079372	NA	MeJP	NA	NA
+C16850	2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid	C7H13NO5	191.0794	NA	KEGG	NA	NA
+MJ006000	4-Hydroxycitrulline 	C6H13N3O4	191.090605	NA	MeJP	NA	NA
+7997	synthetic peptide	LHN	191.09245	MH2+	Inhouse_peptide	NA	peptide
+MJ006001	1,2,3,4-Tetrahydro-2-methyl-6,7-methylenedioxyisoquinoline 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006002	3,4-Dihydro-6,7-dihydroxyisoquinoline; Di-Me ether 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006003	3-Ethyl-1,3-dihydro-3-methoxy-2H-indol-2-one 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006004	5-Hydroxy-3-(2-hydroxyethyl)indole; 5-Me ether 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006005	5-Methyl-6-phenyl-3-morpholinone 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006006	Echinine 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006007	Louisianin B 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006008	Louisianin C; 2',3'-Dihydro, 1?-hydroxy 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006009	N-(2-Hydroxyethyl)cinnamamide 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006010	Rhexifoline; Deoxy 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006011	Strobiline 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006012	Xylaramide; (?)-(E)--form 	C11H13NO2	191.094628	NA	MeJP	NA	NA
+MJ006013	3,4-Dihydro-6,7-dihydroxyisoquinoline; N,O6-Di-Me 	C11H14NO2(+)	191.094628	NA	MeJP	NA	NA
+MJ006014	3,4-Dihydro-6,7-dihydroxyisoquinoline; N,O7-Di-Me 	C11H14NO2(+)	191.094628	NA	MeJP	NA	NA
+HMDB01896	5-Methoxytryptophol	C11H13NO2	191.094635	NA	HMDB2010	NA	NA
+HMDB01896	5-Methoxytryptophol	C11H13NO2	191.09464	http://www.hmdb.ca/metabolites/HMDB01896	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01896	5-Methoxytryptophol	C11H13NO2	191.09464	http://www.hmdb.ca/metabolites/HMDB01896	HMDB	NA	NA
+HMDB01896	5-Methoxytryptophol	C11H13NO2	191.09464	http://www.hmdb.ca/metabolites/HMDB01896	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01896	5-Methoxytryptophol	C11H13NO2	191.09464	HMDB01896	PFEM_hmdb_metabocards_official	NA	NA
+8054	synthetic peptide	RHA	191.098	MH2+	Inhouse_peptide	NA	peptide
+C17221	Trihomomethionine	C8H17NO2S	191.098	NA	KEGG	NA	NA
+MJ006015	Leucoagaricone 	C10H13N3O	191.105862	NA	MeJP	NA	NA
+HMDB06468	4-Hydroxydebrisoquine	C10H13N3O	191.105865	NA	HMDB2010	NA	NA
+HMDB06468	4-hydroxydebrisoquine	C10H13N3O	191.10587	http://www.hmdb.ca/metabolites/HMDB06468	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06468	4-hydroxydebrisoquine	C10H13N3O	191.10587	http://www.hmdb.ca/metabolites/HMDB06468	HMDB	NA	NA
+HMDB06468	4-hydroxydebrisoquine	C10H13N3O	191.10587	http://www.hmdb.ca/metabolites/HMDB06468	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06468	4-hydroxydebrisoquine	C10H13N3O	191.10587	HMDB06468	PFEM_hmdb_metabocards_official	NA	NA
+MJ006016	2-Ethyl-6-hydroxymethyl-3,4,5-piperidinetriol 	C8H17NO4	191.115758	NA	MeJP	NA	NA
+MJ006017	3-Amino-3,6-dideoxyglucose, N,N-Di-Me 	C8H17NO4	191.115758	NA	MeJP	NA	NA
+MJ006018	4-Amino-4,6-dideoxy-3-C-methylmannose, 2-Me 	C8H17NO4	191.115758	NA	MeJP	NA	NA
+MJ006019	4-Amino-4,6-dideoxyglucose, N,N-Di-Me 	C8H17NO4	191.115758	NA	MeJP	NA	NA
+C15344	N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	C9H13N5	191.1171	NA	KEGG	NA	NA
+MetaCyc01698	cotinine methonium ion [N-methylcotininium ion;cotinine methonium ion;]	C11H15N2O1	191.118438	NA	metacyc	NA	NA
+HMDB01365	Cotinine methonium ion	C11H15N2O	191.118439	NA	HMDB2010	NA	NA
+HMDB01365	Cotinine methonium ion	C11H15N2O	191.11844	http://www.hmdb.ca/metabolites/HMDB01365	HMDB	NA	NA
+HMDB01365	Cotinine methonium ion	C11H15N2O	191.11844	HMDB01365	PFEM_hmdb_metabocards_official	NA	NA
+C07904	Phendimetrazine	C12H17NO	191.131	NA	KEGG	NA	NA
+C10935	N,N-Diethyl-m-toluamide	C12H17NO	191.131	NA	KEGG	NA	NA
+C10938	N,N-Diethylphenylacetamide	C12H17NO	191.131	NA	KEGG	NA	NA
+MJ006020	3-Amino-3,4-dihydro-2-methyl-2H-1-benzopyran, N,N-Di-Me 	C12H17NO	191.131014	NA	MeJP	NA	NA
+MJ006021	3-Methylbenzoic acid; Diethylamide 	C12H17NO	191.131014	NA	MeJP	NA	NA
+MJ006022	?-Phenyl-2-piperidinemethanol 	C12H17NO	191.131014	NA	MeJP	NA	NA
+MJ006023	Indanorex 	C12H17NO	191.131014	NA	MeJP	NA	NA
+MJ006024	Phenylacetic acid; Diethylamide 	C12H17NO	191.131014	NA	MeJP	NA	NA
+MJ006025	Hippocasine; Natural-form 	C13H21N	191.167399	NA	MeJP	NA	NA
+MJ006026	Propyleine 	C13H21N	191.167399	NA	MeJP	NA	NA
+8030	synthetic peptide	PHM	191.5752	MH2+	Inhouse_peptide	NA	peptide
+7989	synthetic peptide	LHD	191.58445	MH2+	Inhouse_peptide	NA	peptide
+MJ006027	Trithionate 	O6S3	191.885699	NA	MeJP	NA	NA
+C01861	Trithionate	S3O6	191.8857	NA	KEGG	NA	NA
+MetaCyc01699	S3O6 [(O3S.S.SO3)2-;trithionate;]	O6S3	191.8857	NA	metacyc	NA	NA
+MJ006028	2-Bromo-1,1,2-trifluoroethanol, Me ether 	C3H4BrF3O	191.939762	NA	MeJP	NA	NA
+MJ006029	Trichloroacetaldehyde; Mono-Et acetal 	C4H7Cl3O2	191.951162	NA	MeJP	NA	NA
+MJ006030	Hydroxymethanediphosphonic acid 	CH6O7P2	191.958875	NA	MeJP	NA	NA
+MJ006031	1,4-Diisothiocyanatobenzene 	C8H4N2S2	191.981589	NA	MeJP	NA	NA
+MJ006032	2-Chloromaleylacetate 	C6H5ClO5	191.982551	NA	MeJP	NA	NA
+C06329	2-Chloromaleylacetate	C6H5ClO5	191.9826	NA	KEGG	NA	NA
+C03753	2-Chloro-1,4-naphthoquinone	C10H5ClO2	191.9978	NA	KEGG	NA	NA
+MJ006033	6-Chloro-4,5-dihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-one 	C7H9ClO4	192.018936	NA	MeJP	NA	NA
+MJ006034	2-(1-Propynyl)-5-pyruvoylthiophene 	C10H8O2S	192.0245	NA	MeJP	NA	NA
+MJ006035	5-(2-Thienyl)-2-penten-4-ynoic acid, Me ester 	C10H8O2S	192.0245	NA	MeJP	NA	NA
+MJ006036	5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone 	C10H8O2S	192.0245	NA	MeJP	NA	NA
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	PFEM_hmdb_metabocards_urine	NA	urine
+JH116	Citric acid [M+H]+	C6H8O7	192.025	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH116	Citric acid [M+H]+	C6H8O7	192.025	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH116	Citric acid [M+H]+	C6H8O7	192.025	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	HMDB	NA	NA
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	Inhouse_PFEM	NA	NA
+JH116	Citric acid [M+H]+	C6H8O7	192.025	2.57	Inhousejuil11	NA	NA
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	PFEM_hmdb_metabocards_blood	NA	blood
+JH116	Citric acid 	C6H8O7	192.025	Rtobs2.57	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0485	Citric acid [M+H]+	C6H9O7	192.026475	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0486	Citric acid [M+H]+	C6H9O7	192.026475	C18rt(min)=1.6 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0485	Citric acid [M+H]+	C6H9O7	192.026475	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0486	Citric acid [M+H]+	C6H9O7	192.026475	C18rt(min)=1.6 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00094	Citric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00094	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00193	Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00193	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00094	Citric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00094	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00193	Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00193	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00094	Citric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00094	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00193	Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00193	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00094	Citric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00094	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00193	Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00193	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00094	Citric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00094	HMDB	NA	NA
+HMDB00193	Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00193	HMDB	NA	NA
+HMDB01874	D-threo-Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB01874	HMDB	NA	NA
+HMDB05971	Diketogulonic acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB05971	HMDB	NA	NA
+HMDB06511	2,3-Dioxo-L-gulonate	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB06511	HMDB	NA	NA
+HMDB00094	Citric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00094	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00193	Isocitric acid	C6H8O7	192.02699	http://www.hmdb.ca/metabolites/HMDB00193	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00094	Citric acid	C6H8O7	192.02699	HMDB00094	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00193	Isocitric acid	C6H8O7	192.02699	HMDB00193	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01874	D-threo-Isocitric acid	C6H8O7	192.02699	HMDB01874	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05971	Diketogulonic acid	C6H8O7	192.02699	HMDB05971	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06511	2,3-Dioxo-L-gulonate	C6H8O7	192.02699	HMDB06511	PFEM_hmdb_metabocards_official	NA	NA
+EUR629	Citric acid 	[M-H]-	192.027	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR629	Citric acid 	[M-H]-	192.027	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR629	Citric acid 	[M-H]-	192.027	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR629	Citric acid 	[M-H]-	192.027	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00158	Citrate	C6H8O7	192.027	NA	KEGG	NA	NA
+C00311	Isocitrate	C6H8O7	192.027	NA	KEGG	NA	NA
+C00451	(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate	C6H8O7	192.027	NA	KEGG	NA	NA
+C00454	NDP	C5H11O10P2R	192.027	NA	KEGG	NA	NA
+C00679	5-Dehydro-4-deoxy-D-glucarate	C6H8O7	192.027	NA	KEGG	NA	NA
+C02780	2,5-Didehydro-D-gluconate	C6H8O7	192.027	NA	KEGG	NA	NA
+C03600	Carboxymethyloxysuccinate	C6H8O7	192.027	NA	KEGG	NA	NA
+C03921	2-Dehydro-3-deoxy-D-glucarate	C6H8O7	192.027	NA	KEGG	NA	NA
+C03922	2-Deoxystreptamine antibiotic	C6H12N2O3R2	192.027	NA	KEGG	NA	NA
+C03924	3'-Phosphooligoribonucleotide	C10H18O13P2R2	192.027	NA	KEGG	NA	NA
+C04575	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate	C6H8O7	192.027	NA	KEGG	NA	NA
+C04617	(1S,2S)-1-Hydroxypropane-1,2,3-tricarboxylate	C6H8O7	192.027	NA	KEGG	NA	NA
+C04618	(3R)-3-Hydroxybutanoyl-[acyl-carrier protein]	C4H7O2SR	192.027	NA	KEGG	NA	NA
+C04619	(3R)-3-Hydroxydecanoyl-[acyl-carrier protein]	C10H19O2SR	192.027	NA	KEGG	NA	NA
+C04620	(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein]	C8H15O2SR	192.027	NA	KEGG	NA	NA
+MJ006037	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006038	2,3-Dioxo-L-gulonate 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006039	2-Dehydro-3-deoxy-D-glucarate 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006040	5-Dehydro-4-deoxy-D-glucarate 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006041	Citrate 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006042	Isocitrate 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006043	Citric acid 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MJ006044	Isocitric acid 	C6H8O7	192.027002	NA	MeJP	NA	NA
+MetaCyc01700	isocitrate [isocitric acid;D-isocitrate;threo-Ds-isocitrate;I-CIT;]	C6H8O7	192.027003	320-77-4	metacyc	NA	NA
+MetaCyc01701	carboxymethyloxysuccinate []	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01702	(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate []	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01703	(1S,2S)-1-hydroxypropane-1,2,3-tricarboxylate []	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01704	(1R, 2S)-1-hydroxypropane-1,2,3-tricarboxylate [isocitric acid;D-threo-isocitric acid;]	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01705	citrate [citr;cit;citric acid;2-hydroxy-1,2,3-propanetricarboxylic acid;]	C6H8O7	192.027003	77-92-9	metacyc	NA	NA
+MetaCyc01706	5-keto-4-deoxy-D-glucarate [5-dehydro-4-deoxy-D-glucarate;]	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01707	2,5-didehydro-D-gluconate [2,5-diketo-D-gluconate;2,5-diketogluconic acid;2-dehydro-L-idonate;]	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01708	2-keto-3-deoxy-D-glucarate [2-dehydro-3-deoxy-D-glucarate;2-keto-3-deoxy-glucarate;]	C6H8O7	192.027003	NA	metacyc	NA	NA
+MetaCyc01709	2,3-diketo-L-gulonate [2,3-Dioxo-L-gulonate;]	C6H8O7	192.027003	583-08-4	metacyc	NA	NA
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR629	Citric acid 	NA	192.027005	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR629	Citric acid 	NA	192.027005	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00094	Citric acid	C6H8O7	192.027008	NA	HMDB2010	NA	NA
+HMDB00193	Isocitric acid	C6H8O7	192.027008	NA	HMDB2010	NA	NA
+HMDB01874	D-threo-Isocitric acid	C6H8O7	192.027008	NA	HMDB2010	NA	NA
+HMDB05971	Diketogulonic acid	C6H8O7	192.027008	NA	HMDB2010	NA	NA
+HMDB06511	2,3-Diketo-L-gulonate	C6H8O7	192.027008	NA	HMDB2010	NA	NA
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR555	Citric acid	[M-H]-	192.027025	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR555	Citric acid	[M-H]-	192.027025	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR555	Citric acid	[M-H]-	192.027025	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR555	Citric acid	NA	192.027025	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR555	Citric acid	[M-H]-	192.027025	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR555	Citric acid	NA	192.027025	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0306	?-Ketoglutaric acid [(M-H)+(HCOOH)]-	C6H7O7	192.027125	C18rt(min)=1.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0306	?-Ketoglutaric acid [(M-H)+(HCOOH)]-	C6H7O7	192.027125	C18rt(min)=1.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0304	Citric acid [M-H]-	C6H7O7	192.027525	C18rt(min)=1.6 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0305	Citric acid [M-H]-	C6H7O7	192.027525	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0304	Citric acid [M-H]-	C6H7O7	192.027525	C18rt(min)=1.6 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0305	Citric acid [M-H]-	C6H7O7	192.027525	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006045	2-Hydroxychromene-2-carboxylate 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006046	Scopoletin 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006047	trans-O-Hydroxybenzylidenepyruvate 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006048	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 8,9-Epoxide 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006049	2,10-Dihydroxy-4,6,8-decatriynoic acid 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006050	2-Decene-4,6-diynedioic acid 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006051	2-Methyl-6-methoxy-4,7-benzofurandione 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006052	3,7-Dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006053	3-(3,4-Methylenedioxyphenyl)propenoic acid 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006054	4-Hydroxy-5-benzofurancarboxylic acid; Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006055	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006056	5,7-Dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006057	5,7-Dihydroxy-4H-1-benzopyran-4-one; 7-Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006058	5-Hydroxy-4-(4-hydroxyphenyl)-2(5H)-furanone 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006059	6,7-Dihydroxy-4H-1-benzopyran-4-one; 6-Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006060	6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006061	6-Hydroxy-3-methylene-1,4-benzodioxin-2(3H)-one; Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006062	6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006063	6-Methoxy-3-methyl-4,5-isobenzofurandione 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006064	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006065	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-Me ether 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006066	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MJ006067	Anemonin 	C10H8O4	192.042258	NA	MeJP	NA	NA
+MetaCyc01710	1,3,6,8-naphthalenetetrol [1,3,6,8-tetrahydroxynaphthalene;]	C10H8O4	192.042259	18512-30-6	metacyc	NA	NA
+MetaCyc01711	scopoletin []	C10H8O4	192.042259	NA	metacyc	NA	NA
+MetaCyc01712	trans-O-hydroxybenzylidenepyruvate [tHBPA;]	C10H8O4	192.042259	NA	metacyc	NA	NA
+MetaCyc01713	2-hydroxychromene-2-carboxylate [HCCA;]	C10H8O4	192.042259	NA	metacyc	NA	NA
+MetaCyc01714	cis-O-hydroxybenzylidenepyruvate [cHBPA;]	C10H8O4	192.042259	NA	metacyc	NA	NA
+MetaCyc01715	2-hydroxy-4-(2'-oxo-3,5-cyclohexadienyl)-buta-2,4-dienoate []	C10H8O4	192.042259	NA	metacyc	NA	NA
+MetaCyc01716	5,7-dihydroxy-2-methylchromone []	C10H8O4	192.042259	NA	metacyc	NA	NA
+C01752	Scopoletin	C10H8O4	192.0423	NA	KEGG	NA	NA
+C01938	Naphthazarin	C10H8O4	192.0423	NA	KEGG	NA	NA
+C01939	Neutral salt	C10H8O4	192.0423	NA	KEGG	NA	NA
+C03830	3,4-Dehydro-6-hydroxymellein	C10H8O4	192.0423	NA	KEGG	NA	NA
+C04033	1,3,6,8-Naphthalenetetrol	C10H8O4	192.0423	NA	KEGG	NA	NA
+C04034	1,6-beta-D-Galactosylgalactogen	C12H22O11	192.0423	NA	KEGG	NA	NA
+C06203	trans-O-Hydroxybenzylidenepyruvate	C10H8O4	192.0423	NA	KEGG	NA	NA
+C06204	2-Hydroxychromene-2-carboxylate	C10H8O4	192.0423	NA	KEGG	NA	NA
+C10290	Acamelin	C10H8O4	192.0423	NA	KEGG	NA	NA
+C16913	Anemonin	C10H8O4	192.0423	NA	KEGG	NA	NA
+C18077	Methylenedioxycinnamic acid	C10H8O4	192.0423	NA	KEGG	NA	NA
+C18079	Isoscopoletin	C10H8O4	192.0423	NA	KEGG	NA	NA
+MJ006068	Lofemizole 	C10H9ClN2	192.045426	NA	MeJP	NA	NA
+MJ006069	Erysulfide; S-Dioxide 	C7H12O4S	192.045629	NA	MeJP	NA	NA
+C15348	6-(Allylthio)purine	C8H8N4S	192.047	NA	KEGG	NA	NA
+MJ006070	N-Alanylcysteine; D-L-form 	C6H12N2O3S	192.056862	NA	MeJP	NA	NA
+PJ000031	AC 	C6H12N2O3S	192.0569	NA	PeJP	NA	NA
+CJpos0487	5-hydroxyindoleacetic acid [(M+H)]+ (13C)	C913CH10NO3	192.061075	C18rt(min)=5.68 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0487	5-hydroxyindoleacetic acid [(M+H)]+ (13C)	C913CH10NO3	192.061075	C18rt(min)=5.68 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006071	D-Galactono-1,4-lactone 	C7H12O6	192.063388	NA	MeJP	NA	NA
+MJ006072	3-Dehydro-L-gulonate 	C7H12O6	192.063388	NA	MeJP	NA	NA
+MJ006073	4-Hydroxy-2-oxo-heptandioate 	C7H12O6	192.063388	NA	MeJP	NA	NA
+MJ006074	Quinate 	C7H12O6	192.063388	NA	MeJP	NA	NA
+MJ006075	Quinic acid 	C7H12O6	192.063388	NA	MeJP	NA	NA
+MJ006076	Riburonic acid; ?-D-Furanose-form, Me glycoside, Me ester 	C7H12O6	192.063388	NA	MeJP	NA	NA
+MetaCyc01717	quinate [L-quinate;quinic acid;]	C7H12O6	192.063388	77-95-2	metacyc	NA	NA
+MetaCyc01718	5D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone []	C7H12O6	192.063388	NA	metacyc	NA	NA
+MetaCyc01719	sedoheptulose anhydride [sedoheptulosan;5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;2,7-anhydro-&beta;-D-altro-2-Heptulopyranose;]	C7H12O6	192.063388	469-90-9	metacyc	NA	NA
+HMDB03072	Quinic acid	C7H12O6	192.06339	http://www.hmdb.ca/metabolites/HMDB03072	HMDB	NA	NA
+HMDB03072	Quinic acid	C7H12O6	192.06339	HMDB03072	PFEM_hmdb_metabocards_official	NA	NA
+C00296	Quinate	C7H12O6	192.0634	NA	KEGG	NA	NA
+C00297	Sulfide	SR2	192.0634	NA	KEGG	NA	NA
+C00298	Trypsin	SR2	192.0634	NA	KEGG	NA	NA
+C01295	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	C7H12O6	192.0634	NA	KEGG	NA	NA
+C12113	Valiolone	C7H12O6	192.0634	NA	KEGG	NA	NA
+CJneg0307	Quinic acid [(M-H)]-	C7H11O6	192.063925	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0307	Quinic acid [(M-H)]-	C7H11O6	192.063925	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000032	SS 	C6H12N2O5	192.0746	NA	PeJP	NA	NA
+MJ006077	2,3-Diamino-2,3-dideoxyglucuronic acid 	C6H12N2O5	192.074621	NA	MeJP	NA	NA
+C10435	Carpacin	C11H12O3	192.0786	NA	KEGG	NA	NA
+C10480	Myristicin	C11H12O3	192.0786	NA	KEGG	NA	NA
+C10493	Sarisan	C11H12O3	192.0786	NA	KEGG	NA	NA
+C12343	Isoshinanolone	C11H12O3	192.0786	NA	KEGG	NA	NA
+C14104	cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene	C11H12O3	192.0786	NA	KEGG	NA	NA
+C16896	Nakitriol	C11H12O3	192.0786	NA	KEGG	NA	NA
+C17840	Dehydrozingerone	C11H12O3	192.0786	NA	KEGG	NA	NA
+MJ006078	1-(2,5-Dihydroxyphenyl)-3-methyl-2-buten-1-one 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006079	1-(4-Hydroxyphenyl)-2-propen-1-ol, 1-Ac 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006080	1-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Ac 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006081	1-Methoxy-4,5-(methylenedioxy)-2-propenylbenzene 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006082	10-Hydroxy-2-decene-4,6-diynoic acid, Me ester 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006083	2,3-Dihydro-2-methyl-7-benzofurancarboxylic acid, Me ester 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006084	2,3-Dihydro-5-hydroxy-2-methyl-4H-1-benzopyran-4-one, Me ether 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006085	2,3-Dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006086	2,4-Diacetylphenol; Me ether 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006087	3,4-Dihydro-4,5-dihydroxy-2-methyl-1(2H)-naphthalenone 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006088	3,4-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006089	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006090	3,4-Dihydro-8-hydroxy-3,7-dimethyl-1H-2-benzopyran-1-one 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006091	3-(2,6-Dimethoxyphenyl)-2-propenal 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006092	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Methylene, 1-Me ether 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006093	3-(3,4-Dimethoxyphenyl)-2-propenal 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006094	3-(3-Hydroxypropyl)phthalide 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006095	3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, Me ester 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006096	4-(3,4-Dihydroxyphenyl)-2-butanone; 3,4-Didehydro, 3-Me ether 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006097	4-Hydroxy-3-(3-hydroxy-1-butynyl)benzenemethanol 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006098	4H-1-Benzopyran-6,7-diol; Di-Me ether 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006099	5-(1,2-Dihydroxypropyl)benzofuran 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006100	5-(1-Propenyl)-1,2,3-benzenetriol, 1,2-Methylene, 3-Me ether 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006101	5-Benzyldihydro-3-hydroxy-2(3H)-furanone 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006102	Asaricin 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006103	Asperpentyne 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006104	Croweacin 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006105	Isoshinanolone 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006106	Myristicin 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006107	Nakitriol 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006108	Shinanolone 	C11H12O3	192.078644	NA	MeJP	NA	NA
+MJ006109	Tetrahydro-6-(4-hydroxyphenyl)-2H-pyran-2-one 	C11H12O3	192.078644	NA	MeJP	NA	NA
+JH171	Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+	NA	192.0791	15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH171	Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+	NA	192.0791	15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH171	Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+	NA	192.0791	15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH171	Trimethoxycinnamic acid (3,4,5-) [M+H-HCOOH]+	NA	192.0791	15.69	Inhousejuil11	NA	NA
+CJpos0488	Trans-3-hydroxycotinine [(M+H)]+	C10H13N2O2	192.089375	C18rt(min)=1.01 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0488	Trans-3-hydroxycotinine [(M+H)]+	C10H13N2O2	192.089375	C18rt(min)=1.01 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01411	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01390	Hydroxycotinine	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01390	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01411	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01411	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01411	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01004	Oxoamide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01004	HMDB	NA	NA
+HMDB01324	N'-Hydroxymethylnorcotinine	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01324	HMDB	NA	NA
+HMDB01390	Hydroxycotinine	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01390	HMDB	NA	NA
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01411	HMDB	NA	NA
+HMDB01427	5'-Hydroxycotinine	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01427	HMDB	NA	NA
+HMDB01390	Hydroxycotinine	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01390	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	http://www.hmdb.ca/metabolites/HMDB01411	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01004	Oxoamide	C10H12N2O2	192.08987	HMDB01004	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01324	N'-Hydroxymethylnorcotinine	C10H12N2O2	192.08987	HMDB01324	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01390	Hydroxycotinine	C10H12N2O2	192.08987	HMDB01390	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.08987	HMDB01411	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01427	5'-Hydroxycotinine	C10H12N2O2	192.08987	HMDB01427	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01004	Oxoamide	C10H12N2O2	192.089874	NA	HMDB2010	NA	NA
+HMDB01324	N'-Hydroxymethylnorcotinine	C10H12N2O2	192.089874	NA	HMDB2010	NA	NA
+HMDB01390	Hydroxycotinine	C10H12N2O2	192.089874	NA	HMDB2010	NA	NA
+HMDB01411	Cotinine N-oxide	C10H12N2O2	192.089874	NA	HMDB2010	NA	NA
+HMDB01427	5'-Hydroxycotinine	C10H12N2O2	192.089874	NA	HMDB2010	NA	NA
+MJ006110	13-Nor-7(11)-dehydropilocarpine 	C10H12N2O2	192.089877	NA	MeJP	NA	NA
+MJ006111	3-Hydroxy-11-norcytisine 	C10H12N2O2	192.089877	NA	MeJP	NA	NA
+MJ006112	4-(3-Pyridinylcarbonyl)morpholine 	C10H12N2O2	192.089877	NA	MeJP	NA	NA
+MJ006113	Acanthicifoline 	C10H12N2O2	192.089877	NA	MeJP	NA	NA
+MetaCyc01720	4-oxo-4-(3-pyridyl)-N-methylbutanamide [4-(3-pyridyl)-4-oxo-N-methylbutyramide;&gamma;-(3-pyridyl)-&gamma;-oxo-N-methylbutyramide;]	C10H12N2O2	192.089878	NA	metacyc	NA	NA
+MetaCyc01721	N'-hydroxymethyl-norcotinine []	C10H12N2O2	192.089878	NA	metacyc	NA	NA
+MetaCyc01722	cotinine N-oxide [(5s)-1-methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone;2-pyrrolidinone, 1-methyl-5-(1-oxido-3-pyridinyl)-, (5S)-;2-pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, N-oxide, (S)-;]	C10H12N2O2	192.089878	NA	metacyc	NA	NA
+MetaCyc01723	5'-hydroxycotinine [allohydroxycotinine;]	C10H12N2O2	192.089878	NA	metacyc	NA	NA
+MetaCyc01724	trans-3'-hydroxycotinine []	C10H12N2O2	192.089878	NA	metacyc	NA	NA
+C09907	Acanthicifoline	C10H12N2O2	192.0899	NA	KEGG	NA	NA
+C16151	2,6-Dihydroxy-N-methylmyosmine	C10H12N2O2	192.0899	NA	KEGG	NA	NA
+MJ006114	2-O-Methylxylose, 3,4-Di-Me 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006115	6-Deoxy-2,3-di-O-methylallose 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006116	6-Deoxy-3-C-methyl-2-O-methyltalose 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006117	6-Deoxy-3-C-methylmannose, 2-Me 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006118	6-Deoxy-5-C-methyl-lyxo-hexose, 4-Me 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006119	?-Octose 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006120	Rhamnose, 2,4-Di-Me 	C8H16O5	192.099773	NA	MeJP	NA	NA
+MJ006121	Yersiniose 	C8H16O5	192.099773	NA	MeJP	NA	NA
+C11913	D-Mycinose	C8H16O5	192.0998	NA	KEGG	NA	NA
+MJ006122	Rhizobitoxin, Dihydro 	C7H16N2O4	192.111007	NA	MeJP	NA	NA
+MJ006123	2-Iminomethyl-3-methyl-6-methylamino-9H-purine 	C8H12N6	192.112344	NA	MeJP	NA	NA
+C09909	Thymyl acetate	C12H16O2	192.115	NA	KEGG	NA	NA
+MJ006124	11,12,13-Trinor-1(10)-spirovetivene-2,7-dione 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006125	11,12,13-Trinor-1,3,5-bisabolatrien-10-oic acid 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006126	11,12,13-Trinor-4-amorphene-3,8-dione 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006127	2,6-Decadien-4-yn-1-ol, Ac 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006128	2-(2-Hydroxy-4-methylphenyl)-3-pentanone 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006129	2-(3-Methyl-2-butenyl)-1,4-benzenediol; 4-Me ether 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006130	2-Hydroxy-6-pentylbenzyl alcohol; 1',2'-Didehydro(E-) 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006131	2-Methoxy-5-(1-propenyl)phenol, Et ether 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006132	2-Methylbutanoic acid, Benzyl ester 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006133	4-(1,3-Butadienyl)-1,2-dimethoxybenzene, 3',4'-Dihydro 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006134	5-Isopropyl-2-methylphenol; Ac 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006135	6-Hydroxy-11,12,13-trinor-1(10),7-nardosinadien-9-one 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006136	Elijopyrone D 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006137	Ibufenac 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006138	Norpechuelol; 8-Ketone 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006139	Phenylacetic acid; Butyl ester 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006140	Senkyunolide A 	C12H16O2	192.115029	NA	MeJP	NA	NA
+MJ006141	o-Mentha-1(7),4,8-trien-3-ol, Ac 	C12H16O2	192.115029	NA	MeJP	NA	NA
+3543	ACE inhibitor	LRP	192.1185	MH2+	Inhouse_peptide	NA	peptide
+7547	ACE inhibitor	IRP	192.1185	MH2+	Inhouse_peptide	NA	peptide
+MJ006142	2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine 	C11H16N2O	192.126263	NA	MeJP	NA	NA
+MJ006143	3-[(1-Methyl-2-pyrrolidinyl)methoxy]pyridine 	C11H16N2O	192.126263	NA	MeJP	NA	NA
+MJ006144	Tocainide 	C11H16N2O	192.126263	NA	MeJP	NA	NA
+MJ006145	Virgilidone; Didehydro 	C11H16N2O	192.126263	NA	MeJP	NA	NA
+MJ006146	3-(Diethylcarbamoyl)-1-methylpyridinium(1+) 	C11H17N2O(+)	192.126263	NA	MeJP	NA	NA
+C07142	Tocainide	C11H16N2O	192.1263	NA	KEGG	NA	NA
+C12286	alpha-Ionone	C13H20O	192.1514	NA	KEGG	NA	NA
+C12287	beta-Ionone	C13H20O	192.1514	NA	KEGG	NA	NA
+C14698	4-n-Heptylphenol	C13H20O	192.1514	NA	KEGG	NA	NA
+MJ006147	1-(3,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006148	2,3-Diisopropyl-5-methylphenol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006149	2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006150	2,4-Diisopropyl-3-methylphenol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006151	2,4-Diisopropyl-5-methylphenol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006152	2,5-Diisopropyl-3-methylphenol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006153	2,5-Diisopropyl-4-methylphenol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006154	2,5-Epoxy-6,8-megastigmadiene 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006155	2,6-Diisopropyl-3-methylphenol 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006156	2,7-Epoxy-4,8-megastigmadiene 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006157	3,5,8-Megastigmatrien-7-one; 3,4-Dihydro 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006158	3-(2,5,6,6-Tetramethyl-2-cyclohexenyl)-2-propenal 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006159	4,7-Epoxy-5(11),8-megastigmadiene 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006160	4,7-Megastigmadien-9-one 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006161	4,8-Megastigmadien-7-one 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006162	5(13),7-Megastigmadien-9-one 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006163	5,7-Megastigmadien-9-one 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006164	5,8-Megastigmadien-4-one 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006165	5,9-Epoxy-3,6-megastigmadiene 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006166	?-Ionone 	C13H20O	192.151415	NA	MeJP	NA	NA
+MJ006167	Vitispirane 	C13H20O	192.151415	NA	MeJP	NA	NA
+MetaCyc01725	&beta;-ionone [9-apo-&beta;-caroten-9-one;]	C13H20O1	192.151415	NA	metacyc	NA	NA
+MJ006168	2-Hexyl-3,5-dimethylpyrazine 	C12H20N2	192.162648	NA	MeJP	NA	NA
+MJ006169	Amiflamine 	C12H20N2	192.162648	NA	MeJP	NA	NA
+MJ006170	Tremorine 	C12H20N2	192.162648	NA	MeJP	NA	NA
+MJ006171	3-Nor-4-patchoulene 	C14H24	192.1878	NA	MeJP	NA	NA
+3040	Inhibitor of fibrinogen and thrombin coagulation	GPRG	192.5975	MH2+	Inhouse_peptide	NA	peptide
+MJ006172	2-Bromo-2-ethylbutanoic acid; Amide 	C6H12BrNO	193.010226	NA	MeJP	NA	NA
+MJ006173	1-Isothiocyanato-4-(methylthio)butane; S-Dioxide 	C6H11NO2S2	193.023119	NA	MeJP	NA	NA
+MJ006174	S-(Allylthio)cysteine 	C6H11NO2S2	193.023119	NA	MeJP	NA	NA
+MJ006175	Fosfocreatinine 	C4H8N3O4P	193.025242	NA	MeJP	NA	NA
+CJneg0310	?-Ketoglutaric acid [(M-H)+(HCOOH)]- (13C)	C513CH7O7	193.030425	C18rt(min)=1.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0310	?-Ketoglutaric acid [(M-H)+(HCOOH)]- (13C)	C513CH7O7	193.030425	C18rt(min)=1.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0308	Citric acid [M-H]- (13C)	C5[13]CH7O7	193.030925	C18rt(min)=1.6 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0309	Citric acid [M-H]- (13C)	C5[13]CH7O7	193.030925	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0308	Citric acid [M-H]- (13C)	C5[13]CH7O7	193.030925	C18rt(min)=1.6 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0309	Citric acid [M-H]- (13C)	C5[13]CH7O7	193.030925	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C01693	L-Dopachrome	C9H7NO4	193.0375	NA	KEGG	NA	NA
+C04185	5,6-Dihydroxyindole-2-carboxylate	C9H7NO4	193.0375	NA	KEGG	NA	NA
+C12468	3-Amino-4,7-dihydroxycoumarin	C9H7NO4	193.0375	NA	KEGG	NA	NA
+C15566	D-Dopachrome	C9H7NO4	193.0375	NA	KEGG	NA	NA
+HMDB01253	5,6-Dihydroxyindole-2-carboxylic acid	C9H7NO4	193.037506	NA	HMDB2010	NA	NA
+HMDB01430	L-Dopachrome	C9H7NO4	193.037506	NA	HMDB2010	NA	NA
+HMDB11622	D-Dopachrome	C9H7NO4	193.037506	NA	HMDB2010	NA	NA
+MJ006176	L-Dopachrome 	C9H7NO4	193.037507	NA	MeJP	NA	NA
+MJ006177	3,4,5,8-Quinolinetetrol 	C9H7NO4	193.037507	NA	MeJP	NA	NA
+MJ006178	5,6-Dihydroxy-1H-indole-2-carboxylic acid 	C9H7NO4	193.037507	NA	MeJP	NA	NA
+MJ006179	Antibiotic 2188 	C9H7NO4	193.037507	NA	MeJP	NA	NA
+MetaCyc01726	L-dopachrome [2-L-carboxy-2,3-dihydroindole-5,6-quinone;]	C9H7N1O4	193.037508	NA	metacyc	NA	NA
+MetaCyc01727	D-dopachrome []	C9H7N1O4	193.037508	NA	metacyc	NA	NA
+MetaCyc01728	5,6-dihydroxyindole-2-carboxylate [DHICA;]	C9H7N1O4	193.037508	NA	metacyc	NA	NA
+HMDB01253	5,6-Dihydroxyindole-2-carboxylic acid	C9H7NO4	193.03751	http://www.hmdb.ca/metabolites/HMDB01253	HMDB	NA	NA
+HMDB01430	L-Dopachrome	C9H7NO4	193.03751	http://www.hmdb.ca/metabolites/HMDB01430	HMDB	NA	NA
+HMDB01253	5,6-Dihydroxyindole-2-carboxylic acid	C9H7NO4	193.03751	HMDB01253	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01430	L-Dopachrome	C9H7NO4	193.03751	HMDB01430	PFEM_hmdb_metabocards_official	NA	NA
+MJ006180	S-(2-Carboxyethyl)cysteine 	C6H11NO4S	193.040878	NA	MeJP	NA	NA
+MetaCyc01729	N-acetyl-DL-methionine [acetyl-DL-methionine;]	C6H11N1O4S1	193.040879	NA	metacyc	NA	NA
+C16421	AI-2	C5H10BO7	193.052	NA	KEGG	NA	NA
+MJ006181	2-Amino-2-deoxyaltruronic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MJ006182	2-Amino-2-deoxygalacturonic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MJ006183	2-Amino-2-deoxyglucuronic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MJ006184	2-Amino-2-deoxyguluronic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MJ006185	2-Amino-2-deoxymannuronic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MJ006186	2-Amino-4,5-dihydroxyhexanedioic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MJ006187	4-Amino-4-deoxyglucuronic acid 	C6H11NO6	193.058637	NA	MeJP	NA	NA
+MetaCyc01730	glucuronamide [2,3,4,5-tetrahydroxy-6-oxo-hexanamide;]	C6H11N1O6	193.058637	NA	metacyc	NA	NA
+MJ006188	2-Amino-6-(hydroxymethyl)-4(1H)-pteridinone 	C7H7N5O2	193.059974	NA	MeJP	NA	NA
+MJ006189	Chrysopterin 	C7H7N5O2	193.059974	NA	MeJP	NA	NA
+MJ006190	Fervenulin 	C7H7N5O2	193.059974	NA	MeJP	NA	NA
+MJ006191	Reumycin; 7-Me ether 	C7H7N5O2	193.059974	NA	MeJP	NA	NA
+MJ006192	Toxoflavin 	C7H7N5O2	193.059974	NA	MeJP	NA	NA
+C16789	Toxoflavine	C7H7N5O2	193.06	NA	KEGG	NA	NA
+CJneg0311	Quinic acid [(M-H)]- (13C)	C613CH11O6	193.067325	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0311	Quinic acid [(M-H)]- (13C)	C613CH11O6	193.067325	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0489	2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+	C10H12NO3	193.073375	C18rt(min)=6.13 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0490	4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+	C10H12NO3	193.073375	C18rt(min)=6.62 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0491	Methylhippuric acid isomer [(M+H)]+	C10H12NO3	193.073375	C18rt(min)=6.25 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0489	2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+	C10H12NO3	193.073375	C18rt(min)=6.13 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0490	4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+	C10H12NO3	193.073375	C18rt(min)=6.62 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0491	Methylhippuric acid isomer [(M+H)]+	C10H12NO3	193.073375	C18rt(min)=6.25 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00821	Phenylacetylglycine	C10H11NO3	193.07388	http://www.hmdb.ca/metabolites/HMDB00821	HMDB	NA	NA
+HMDB00859	Methylhippuric acid	C10H11NO3	193.07388	http://www.hmdb.ca/metabolites/HMDB00859	HMDB	NA	NA
+HMDB00821	Phenylacetylglycine	C10H11NO3	193.07388	HMDB00821	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00859	Methylhippuric acid	C10H11NO3	193.07388	HMDB00859	PFEM_hmdb_metabocards_official	NA	NA
+MJ006193	(4-Aminophenyl)acetic acid; N-Ac 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006194	(N-Phenylacetyl)glycine 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006195	3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; 6-Me ether 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006196	3-Aminopropanoic acid; N-Benzoyl 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006197	3-Hydroxy-4-methoxy-3-methyloxindole 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006198	4-Aminophenol; N,O-Di-Ac 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006199	6-Methoxy-3-(1-propenyl)-2-pyridinecarboxylic acid 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006200	Cerpegin 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006201	Cichorine 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006202	Dehydrodopamine, N-Ac 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006203	Gentianal 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006204	Gentioflavine 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MJ006205	Lepiotin A 	C10H11NO3	193.073893	NA	MeJP	NA	NA
+MetaCyc01731	5,6-dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline [5,6-dihydroxy-3-methyl-1,5,6-trihydroquinolin-2-one;5,6-dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline;]	C10H11N1O3	193.073893	NA	metacyc	NA	NA
+HMDB00821	Phenylacetylglycine	C10H11NO3	193.073898	NA	HMDB2010	NA	NA
+HMDB00859	Methylhippuric acid	C10H11NO3	193.073898	NA	HMDB2010	NA	NA
+HMDB11723	2-Methylhippuric acid	C10H11NO3	193.073898	NA	HMDB2010	NA	NA
+HMDB13245	m-Methylhippuric acid	C10H11NO3	193.073898	NA	HMDB2010	NA	NA
+HMDB13292	p-Methylhippuric acid	C10H11NO3	193.073898	NA	HMDB2010	NA	NA
+C03450	(3-Arylcarbonyl)-alanine	C10H11NO3	193.0739	NA	KEGG	NA	NA
+C05598	Phenylacetylglycine	C10H11NO3	193.0739	NA	KEGG	NA	NA
+C06726	5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline	C10H11NO3	193.0739	NA	KEGG	NA	NA
+C09962	Gentioflavine	C10H11NO3	193.0739	NA	KEGG	NA	NA
+C10581	Cichorine	C10H11NO3	193.0739	NA	KEGG	NA	NA
+C16587	3-Carbamoyl-2-phenylpropionaldehyde	C10H11NO3	193.0739	NA	KEGG	NA	NA
+C16595	4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one	C10H11NO3	193.0739	NA	KEGG	NA	NA
+CJneg0312	4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]-	C10H10NO3	193.074425	C18rt(min)=6.62 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0313	Methylhippuric acid isomer [(M-H)]-	C10H10NO3	193.074425	C18rt(min)=6.25 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0314	2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]-	C10H10NO3	193.074425	C18rt(min)=6.13 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0312	4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]-	C10H10NO3	193.074425	C18rt(min)=6.62 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0313	Methylhippuric acid isomer [(M-H)]-	C10H10NO3	193.074425	C18rt(min)=6.25 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0314	2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]-	C10H10NO3	193.074425	C18rt(min)=6.13 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006206	5-Dimethylsulfonio 2-amino-4-hydroxypentanoate 	C7H15NO3S	193.077264	NA	MeJP	NA	NA
+MJ006207	4-(3,3-Dimethyl-1-triazenyl)benzoic acid 	C9H11N3O2	193.085126	NA	MeJP	NA	NA
+CJpos0492	Trans-3-hydroxycotinine [(M+H)]+ (15N)	C10H13N15NO2	193.086375	C18rt(min)=1.01 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0492	Trans-3-hydroxycotinine [(M+H)]+ (15N)	C10H13N15NO2	193.086375	C18rt(min)=1.01 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C14417	2-Anthramine	C14H11N	193.0891	NA	KEGG	NA	NA
+MJ006208	2-Methyl-6-(phenylethynyl)pyridine 	C14H11N	193.089149	NA	MeJP	NA	NA
+CJpos0493	Trans-3-hydroxycotinine [(M+H)]+ (13C)	C913CH13N2O2	193.092675	C18rt(min)=1.01 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0493	Trans-3-hydroxycotinine [(M+H)]+ (13C)	C913CH13N2O2	193.092675	C18rt(min)=1.01 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006209	2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol 	C7H15NO5	193.095022	NA	MeJP	NA	NA
+MJ006210	2-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine 	C7H15NO5	193.095022	NA	MeJP	NA	NA
+MJ006211	2-Amino-2-deoxyglucose, N-Me 	C7H15NO5	193.095022	NA	MeJP	NA	NA
+MJ006212	2-Amino-2-deoxygulose, N-Me 	C7H15NO5	193.095022	NA	MeJP	NA	NA
+MJ006213	Valiolamine 	C7H15NO5	193.095022	NA	MeJP	NA	NA
+MJ006214	1,3,7-Trimethylguanine 	C8H11N5O	193.096359	NA	MeJP	NA	NA
+MJ006215	1,3,7-Trimethylisoguanine 	C8H11N5O	193.096359	NA	MeJP	NA	NA
+MJ006216	Caissarone 	C8H11N5O	193.096359	NA	MeJP	NA	NA
+MJ006217	Herbipoline; N1-Me 	C8H12N5O(+)	193.09636	NA	MeJP	NA	NA
+MJ006218	Heteromine C 	C8H12N5O(+)	193.09636	NA	MeJP	NA	NA
+MJ006219	Heteromine D; N2-De-Me 	C8H12N5O(+)	193.09636	NA	MeJP	NA	NA
+MJ006220	Flutonidine 	C10H12FN3	193.101525	NA	MeJP	NA	NA
+3564	NA	LSPA	193.1025	MH2+	Inhouse_peptide	NA	peptide
+HMDB03626	(R)-N-Methylsalsolinol	C11H15NO2	193.110275	NA	HMDB2010	NA	NA
+HMDB03892	(S)-N-Methylsalsolinol	C11H15NO2	193.110275	NA	HMDB2010	NA	NA
+MJ006221	1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006222	1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-1-methylisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006223	1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-2-methylisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006224	1,2,3,4-Tetrahydro-7,8-dihydroxyisoquinoline; 7-Me ether, N-Me 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006225	1,2,3,4-Tetrahydro-7,8-dimethoxyisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006226	1,2,3,4-Tetrahydro-7-hydroxy-5-methoxy-2-methylisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006227	1,2,3,4-Tetrahydro-7-hydroxy-6-methoxy-1-methylisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006228	1,2,3,4-Tetrahydro-8-hydroxy-7-methoxy-1-methylisoquinoline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006229	2-Amino-2-phenylpropanoic acid, N,N-Di-Me 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006230	3-(Ethoxymethyl)-6,7-dihydro-8(5H)-indolizinone 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006231	4-Aminobenzoic acid; 2-Methylpropyl ester 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006232	4-Aminobenzoic acid; Butyl ester 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006233	Corypalline 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006234	Exepanol 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006235	Methoxyphedrine 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006236	N,?-Dimethyl-3,4-(methylenedioxy)phenethylamine 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006237	Phenylalanine, N,N-Di-Me 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+MJ006238	Strobiline; 10,11-Dihydro 	C11H15NO2	193.110278	NA	MeJP	NA	NA
+HMDB03626	(R)-N-Methylsalsolinol	C11H15NO2	193.11028	http://www.hmdb.ca/metabolites/HMDB03626	HMDB	NA	NA
+HMDB03892	(S)-N-Methylsalsolinol	C11H15NO2	193.11028	http://www.hmdb.ca/metabolites/HMDB03892	HMDB	NA	NA
+HMDB03626	(R)-N-Methylsalsolinol	C11H15NO2	193.11028	HMDB03626	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03892	(S)-N-Methylsalsolinol	C11H15NO2	193.11028	HMDB03892	PFEM_hmdb_metabocards_official	NA	NA
+C07577	3,4-Methylenedioxymethamphetamine	C11H15NO2	193.1103	NA	KEGG	NA	NA
+C07875	Butamben	C11H15NO2	193.1103	NA	KEGG	NA	NA
+C09460	Heliamine	C11H15NO2	193.1103	NA	KEGG	NA	NA
+C09640	(-)-Salsoline	C11H15NO2	193.1103	NA	KEGG	NA	NA
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR427	Deoxyuridine F4	NA	193.110475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR427	Deoxyuridine F4	NA	193.110475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR427	Deoxyuridine F4	NA	193.110475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR427	Deoxyuridine F4	NA	193.110475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR427	Deoxyuridine F4	F4	193.110475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR318	Xanthine F2	NA	193.111875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR318	Xanthine F2	NA	193.111875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR318	Xanthine F2	NA	193.111875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR318	Xanthine F2	NA	193.111875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR318	Xanthine F2	F2	193.111875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ006239	(3-Phenoxypropyl)guanidine 	C10H15N3O	193.121512	NA	MeJP	NA	NA
+MJ006240	Sabcomeline 	C10H15N3O	193.121512	NA	MeJP	NA	NA
+3528	ACE inhibitor	LVR	193.1265	MH2+	Inhouse_peptide	NA	peptide
+MJ006241	Alvameline 	C9H15N5	193.132745	NA	MeJP	NA	NA
+MJ006242	2,4,6-Dodecatrienoic acid, Amide 	C12H19NO	193.146664	NA	MeJP	NA	NA
+MJ006243	Elaeokanine A 	C12H19NO	193.146664	NA	MeJP	NA	NA
+MJ006244	Etafedrine 	C12H19NO	193.146664	NA	MeJP	NA	NA
+MJ006245	2-(4-Methoxyphenyl)ethylamine; N,N,N-Tri-Me 	C12H20NO(+)	193.146664	NA	MeJP	NA	NA
+MJ006246	5,6,7,8-Tetrahydro-5-methyl-2-propylquinoline; 1,4,4a,8a-Tetrahydro 	C13H23N	193.183049	NA	MeJP	NA	NA
+MJ006247	Dodecahydro-2-methylpyrido[2,1,6-de]quinolizine 	C13H23N	193.183049	NA	MeJP	NA	NA
+MJ006248	1-Boratricyclo[3.3.1.13,7]decane; NMe3 complex 	C12H24BN	193.20018	NA	MeJP	NA	NA
+3714	ACE inhibitor	LQQ	193.6	MH2+	Inhouse_peptide	NA	peptide
+7862	peptide from prawn muscle (Penaeus japonicus)	IKK	193.636	MH2+	Inhouse_peptide	NA	peptide
+MJ006249	1,1,3,3-Tetrachloro-2-propanone 	C3H2Cl4O	193.885975	NA	MeJP	NA	NA
+MJ006250	3-Bromo-1,1,2,2-tetrafluoropropane 	C3H3BrF4	193.935425	NA	MeJP	NA	NA
+CJneg0315	Glycerol Phosphate [(M-2H+Na)]-	C3H7NaO6P	193.996125	C18rt(min)=0.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0315	Glycerol Phosphate [(M-2H+Na)]-	C3H7NaO6P	193.996125	C18rt(min)=0.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C12836	2-Chloro-3-oxoadipate	C6H7ClO5	193.9982	NA	KEGG	NA	NA
+MJ006251	3-Mercapto-2-(mercaptomethyl)propanoic acid; S-Ac 	C6H10O3S2	194.007135	NA	MeJP	NA	NA
+MJ006252	Acivicin, 4S-Hydroxy 	C5H7ClN2O4	194.009434	NA	MeJP	NA	NA
+MJ006253	3,6,7-Trihydroxy-2H-1-benzopyran-2-one 	C9H6O5	194.021523	NA	MeJP	NA	NA
+MJ006254	6,7,8-Trihydroxy-2H-1-benzopyran-2-one 	C9H6O5	194.021523	NA	MeJP	NA	NA
+MJ006255	Stipitalide 	C9H6O5	194.021523	NA	MeJP	NA	NA
+MJ006256	5,5'-Dimethyl-2,2'-bithiophene 	C10H10S2	194.022391	NA	MeJP	NA	NA
+MJ006257	1-(Methylthio)propyl 1-propenyl disulfide 	C7H14S3	194.025762	NA	MeJP	NA	NA
+MJ006258	3,5-Dialkyl-1,2,4-trithiolanes; 3-Methyl-5-(2-methylpropyl)-1,2,4-trithiolane 	C7H14S3	194.025762	NA	MeJP	NA	NA
+MJ006259	Methyl 1-(1-propenylthio)propyl disulfide 	C7H14S3	194.025762	NA	MeJP	NA	NA
+MJ006260	1,6-Dichloro-2-methyl-1,5-heptadien-3-ol 	C8H12Cl2O	194.02652	NA	MeJP	NA	NA
+CJneg0316	Imidazoleacetic acid isomers [(M-H)+(HCOONa)]-	C6H6N2NaO4	194.030925	C18rt(min)=0.94 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0316	Imidazoleacetic acid isomers [(M-H)+(HCOONa)]-	C6H6N2NaO4	194.030925	C18rt(min)=0.94 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0317	Citric acid [M-H]- (18O)	C6H7O6[18]O	194.031825	C18rt(min)=1.6 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0318	Citric acid [M-H]- (18O)	C6H7O6[18]O	194.031825	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0317	Citric acid [M-H]- (18O)	C6H7O6[18]O	194.031825	C18rt(min)=1.6 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0318	Citric acid [M-H]- (18O)	C6H7O6[18]O	194.031825	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006261	Cremeomycin 	C8H6N2O4	194.032756	NA	MeJP	NA	NA
+MJ006262	2-Acetyl-3-hydroxy-5-(1-propynyl)thiophene; Me ether 	C10H10O2S	194.04015	NA	MeJP	NA	NA
+MJ006263	2-Hydroxy-1-[5-(1-propynyl)-2-thienyl]-1-propanone 	C10H10O2S	194.04015	NA	MeJP	NA	NA
+HMDB00127	D-Glucuronic acid	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB02545	Galacturonic acid	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB02704	Iduronic acid	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB03363	Pectic acid	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB03402	Pectin	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB06334	3-Dehydro-L-gulonate	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB11731	5-Keto-D-gluconate	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB11732	2-Keto-L-gluconate	C6H10O7	194.042648	NA	HMDB2010	NA	NA
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB00127	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02704	Iduronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB02704	PFEM_hmdb_metabocards_urine	NA	urine
+LABER035	Glucuronic acid	NA	194.04265	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER035	Glucuronic acid	NA	194.04265	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB00127	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER035	Glucuronic acid	NA	194.04265	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB00127	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02704	Iduronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB02704	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER035	Glucuronic acid	NA	194.04265	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB00127	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02704	Iduronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB02704	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB00127	HMDB	NA	NA
+HMDB02545	Galacturonic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB02545	HMDB	NA	NA
+HMDB02704	Iduronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB02704	HMDB	NA	NA
+HMDB03363	Pectic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB03363	HMDB	NA	NA
+HMDB03402	Pectin	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB03402	HMDB	NA	NA
+HMDB06334	3-Dehydro-L-gulonate	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB06334	HMDB	NA	NA
+LABER035	Glucuronic acid	NA	194.04265	NA	HMDB	NA	NA
+LABER035	Glucuronic acid	NA	194.04265	NA	Inhouse_PFEM	NA	NA
+LABER035	Glucuronic acid	NA	194.04265	NA	Inhousejuil11	NA	NA
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	http://www.hmdb.ca/metabolites/HMDB00127	PFEM_hmdb_metabocards_blood	NA	blood
+LABER035	Glucuronic acid	NA	194.04265	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER035	Glucuronic acid	NA	194.04265	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00127	D-Glucuronic acid	C6H10O7	194.04265	HMDB00127	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02545	Galacturonic acid	C6H10O7	194.04265	HMDB02545	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02704	Iduronic acid	C6H10O7	194.04265	HMDB02704	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03363	Pectic acid	C6H10O7	194.04265	HMDB03363	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03402	Pectin	C6H10O7	194.04265	HMDB03402	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06334	3-Dehydro-L-gulonate	C6H10O7	194.04265	HMDB06334	PFEM_hmdb_metabocards_official	NA	NA
+MJ006264	Galacturonic acid; ?-D-Pyranose-form 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006265	Galacturonic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006266	Glucuronic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006267	Guluronic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006268	Iduronic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006269	Mannuronic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006270	arabino-2-Hexulosonic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006271	xylo-2-Hexulosonic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006272	xylo-5-Hexulosonic acid 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006273	2-Dehydro-D-gluconate 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006274	D-Fructuronate 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006275	D-Galacturonate 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006276	D-Glucuronate 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MJ006277	D-Tagaturonate 	C6H10O7	194.042652	NA	MeJP	NA	NA
+MetaCyc01732	glucuronate [D-glucuronate;glucuronic acid;D-glucuronic acid;]	C6H10O7	194.042653	576-37-4	metacyc	NA	NA
+MetaCyc01733	fructuronate [D-fructuronate;]	C6H10O7	194.042653	669-90-9	metacyc	NA	NA
+MetaCyc01734	D-tagaturonate [tagaturonate;]	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01735	galacturonate [D-galacturonate;D-galaturonate;galaturonate;D-galacturonic acid;]	C6H10O7	194.042653	685-73-4	metacyc	NA	NA
+MetaCyc01736	2-dehydro-D-gluconate [2-dehydro-L-gulonate;2-keto-L-gulonate;2-keto-D-gluconate;2KDG;]	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01737	D-Mannuronate [D-Mannuronic acid;]	C6H10O7	194.042653	1986-14-7	metacyc	NA	NA
+MetaCyc01738	5-keto-D-gluconic acid [5-dehydrogluconate;5-dehydro-D-gluconate;]	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01739	5-ketogluconate [5-dehydro-D-gluconate;5-keto-D-gluconate;5-k-gluconate;]	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01740	5-dehydrogluconate []	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01741	3-keto-L-gulonate [3-dehydro-L-gulonate;]	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01742	iduronate []	C6H10O7	194.042653	NA	metacyc	NA	NA
+MetaCyc01743	3-keto-D-gulonate [3-dehydro-D-gulonate;]	C6H10O7	194.042653	NA	metacyc	NA	NA
+C00191	D-Glucuronate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C00333	D-Galacturonate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C00558	D-Tagaturonate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C00618	3-Dehydro-L-gulonate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C00905	D-Fructuronate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C01062	5-Dehydro-D-gluconate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C02024	D-Mannuronate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C03342	2-Dehydro-D-galactonate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C06472	L-Iduronic acid	C6H10O7	194.0427	NA	KEGG	NA	NA
+C06473	2-Keto-D-gluconic acid	C6H10O7	194.0427	NA	KEGG	NA	NA
+C06477	L-Guluronic acid	C6H10O7	194.0427	NA	KEGG	NA	NA
+C08348	Galacturonic acid	C6H10O7	194.0427	NA	KEGG	NA	NA
+C08350	beta-D-Glucopyranuronic acid	C6H10O7	194.0427	NA	KEGG	NA	NA
+C15673	2-Dehydro-L-idonate	C6H10O7	194.0427	NA	KEGG	NA	NA
+C16245	D-Glucuronic acid	C6H10O7	194.0427	NA	KEGG	NA	NA
+CJneg0319	Glucuronic acid (and isomers) [(M-H)]-	C6H9O7	194.043225	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0319	Glucuronic acid (and isomers) [(M-H)]-	C6H9O7	194.043225	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006278	6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione 	C7H6N4O3	194.04399	NA	MeJP	NA	NA
+MJ006279	Luciopterin 	C7H6N4O3	194.04399	NA	MeJP	NA	NA
+MJ006280	Temozolomide 	C6H6N6O2	194.055223	NA	MeJP	NA	NA
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	PFEM_hmdb_metabocards_urine	NA	urine
+JH123	Ferulic acid [M+H]+	C10H10O4	194.0573	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH123	Ferulic acid [M+H]+	C10H10O4	194.0573	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH123	Ferulic acid [M+H]+	C10H10O4	194.0573	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	HMDB	NA	NA
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	Inhouse_PFEM	NA	NA
+JH123	Ferulic acid [M+H]+	C10H10O4	194.0573	13.89	Inhousejuil11	NA	NA
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	PFEM_hmdb_metabocards_blood	NA	blood
+JH123	Ferulic acid 	C10H10O4	194.0573	Rtobs13.89	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0494	Isoferulic acid [(M+H)]+	C10H11O4	194.057375	C18rt(min)=6.64 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0495	Monoethyl phthalate [(M+H)]+	C10H11O4	194.057375	C18rt(min)=7.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0494	Isoferulic acid [(M+H)]+	C10H11O4	194.057375	C18rt(min)=6.64 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0495	Monoethyl phthalate [(M+H)]+	C10H11O4	194.057375	C18rt(min)=7.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00779	Scytalone	C10H10O4	194.0579	NA	KEGG	NA	NA
+C01494	Ferulate	C10H10O4	194.0579	NA	KEGG	NA	NA
+C02379	6-Hydroxymellein	C10H10O4	194.0579	NA	KEGG	NA	NA
+C09974	2,4,8-Trihydroxy-1-tetralone	C10H10O4	194.0579	NA	KEGG	NA	NA
+C10470	Isoferulic acid	C10H10O4	194.0579	NA	KEGG	NA	NA
+C10477	Methyl caffeate	C10H10O4	194.0579	NA	KEGG	NA	NA
+C11233	Dimethyl phthalate	C10H10O4	194.0579	NA	KEGG	NA	NA
+C12204	5-Hydroxyconiferaldehyde	C10H10O4	194.0579	NA	KEGG	NA	NA
+C16982	Kakuol	C10H10O4	194.0579	NA	KEGG	NA	NA
+HMDB00954	trans-Ferulic acid	C10H10O4	194.057907	NA	HMDB2010	NA	NA
+HMDB00955	Isoferulic acid	C10H10O4	194.057907	NA	HMDB2010	NA	NA
+HMDB02120	Monoethyl phthalate	C10H10O4	194.057907	NA	HMDB2010	NA	NA
+MJ006281	Ferulate 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006282	-(3,4-Dihydroxyphenyl)-2-propenoic acid, Me ester 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006283	1,4-Benzenedicarboxylic acid; Di-Me ester 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006284	1,4-Benzenediol; Di-Ac 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006285	1,4-Dihydro-6,8-dihydroxy-1-methyl-3H-2-benzopyran-3-one 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006286	1-(2,4,5-Trihydroxyphenyl)-1-propanone; 4',5'-Methylene ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006287	2,10-Dihydroxy-4-decene-6,8-diynoic acid 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006288	2,2,6-Trihydroxy-2H-1-benzopyran; 6-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006289	2,3-Dihydro-6-hydroxy-2-methyl-5-benzofurancarboxylic acid 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006290	2,3:8,9-Diepoxy-4,6-decadiyne-1,10-diol 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006291	2,6-Octadien-4-ynedioic acid, Di-Me ester 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006292	3,4-Dihydro-2,4,5-trihydroxy-1(2H)-naphthalenone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006293	3,4-Dihydro-2,4,8-trihydroxy-1(2H)-naphthalenone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006294	3,4-Dihydro-3,4,5-trihydroxy-1(2H)-naphthalenone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006295	3,4-Dihydro-3,4,8-trihydroxy-1(2H)-naphthalenone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006296	3,4-Dihydro-3,6,8-trihydroxy-1(2H)-naphthalenone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006297	3,4-Dihydro-3,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006298	3,4-Dihydro-4,6,8-trihydroxy-1(2H)-naphthalenone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006299	3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006300	3,4-Dihydro-5,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006301	3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006302	3,4-Dihydro-7,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006303	3,5-Dihydroxy-4-methyl-1,2-benzenedicarboxaldehyde; 3-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006304	3-(2,3-Dihydroxyphenyl)-2-propenoic acid, 3-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006305	3-(2,5-Dihydroxyphenyl)-2-propenoic acid; Me ester 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006306	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006307	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006308	3-(4-Hydroxyphenyl)-3-oxopropanoic acid; Me ester 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006309	3-(4-Hydroxyphenyl)-3-oxopropanoic acid; Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006310	3-Ethyl-7-hydroxy-1(3H)-isobenzofuranone, 4-Hydroxy 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006311	3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one, 3'-Carboxylic acid 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006312	4,6-Dihydroxy-1(3H)-isobenzofuranone; Di-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006313	4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 4-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006314	4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 6-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006315	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006316	5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone; 5-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006317	5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone; 7-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006318	6,7-Dihydroxy-1(3H)-isobenzofuranone; Di-Me ether 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006319	6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one; 3,4-Dihydro 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006320	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; 3,4-Dihydro 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006321	Citreopyrones; Citreopyrone B 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006322	Gentiopicral 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006323	Pyrenolide B; 7?,8?-Epoxide 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006324	Radiatinol 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MJ006325	Uchinol 	C10H10O4	194.057908	NA	MeJP	NA	NA
+MetaCyc01744	ferulate [ferulate;ferulic acid;3-methoxy-4-hydroxycinnamic acid;caffeic acid 3-methyl ether;4-hydroxy-3-methoxycinnamic acid;3-methoxy-4-hydroxy-trans-cinnamate;]	C10H10O4	194.057909	1135-24-6	metacyc	NA	NA
+MetaCyc01745	scytalone []	C10H10O4	194.057909	49598-85-8	metacyc	NA	NA
+MetaCyc01746	6-hydroxymellein [6,8-dihydroxy-3-methyl-isochroman-1-one;]	C10H10O4	194.057909	NA	metacyc	NA	NA
+MetaCyc01747	5-hydroxy-coniferaldehyde []	C10H10O4	194.057909	NA	metacyc	NA	NA
+HMDB00954	trans-Ferulic acid	C10H10O4	194.05791	http://www.hmdb.ca/metabolites/HMDB00954	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00954	trans-Ferulic acid	C10H10O4	194.05791	http://www.hmdb.ca/metabolites/HMDB00954	HMDB	NA	NA
+HMDB00955	Isoferulic acid	C10H10O4	194.05791	http://www.hmdb.ca/metabolites/HMDB00955	HMDB	NA	NA
+HMDB02120	Monoethyl phthalate	C10H10O4	194.05791	http://www.hmdb.ca/metabolites/HMDB02120	HMDB	NA	NA
+HMDB00954	trans-Ferulic acid	C10H10O4	194.05791	http://www.hmdb.ca/metabolites/HMDB00954	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00954	trans-Ferulic acid	C10H10O4	194.05791	HMDB00954	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00955	Isoferulic acid	C10H10O4	194.05791	HMDB00955	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02120	Monoethyl phthalate	C10H10O4	194.05791	HMDB02120	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0320	Monoethyl phthalate [(M-H)]-	C10H9O4	194.058425	C18rt(min)=7.45 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0321	mono-Benzyl malonate [(M-H)]-	C10H9O4	194.058425	C18rt(min)=6.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0322	Dihydroxycinnamic acid methyl ester [(M-H)]-	C10H9O4	194.058425	C18rt(min)=5.7 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0323	Isoferulic acid [(M-H)]-	C10H9O4	194.058425	C18rt(min)=6.64 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0320	Monoethyl phthalate [(M-H)]-	C10H9O4	194.058425	C18rt(min)=7.45 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0321	mono-Benzyl malonate [(M-H)]-	C10H9O4	194.058425	C18rt(min)=6.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0322	Dihydroxycinnamic acid methyl ester [(M-H)]-	C10H9O4	194.058425	C18rt(min)=5.7 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0323	Isoferulic acid [(M-H)]-	C10H9O4	194.058425	C18rt(min)=6.64 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C15347	6-(Isopropylthio)purine	C8H10N4S	194.0626	NA	KEGG	NA	NA
+CJpos0496	Pyridylacetylglycine [(M+H)]+	C9H11N2O3	194.068575	C18rt(min)=4.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0496	Pyridylacetylglycine [(M+H)]+	C9H11N2O3	194.068575	C18rt(min)=4.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	194.069138	NA	HMDB2010	NA	NA
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	194.06914	http://www.hmdb.ca/metabolites/HMDB01867	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	194.06914	http://www.hmdb.ca/metabolites/HMDB01867	HMDB	NA	NA
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	194.06914	Polypeptides  ;SYN:GSSG; Glutathione disulfide; Oxiglutatione; L(-)-Glutathione(oxidized)H2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	194.06914	http://www.hmdb.ca/metabolites/HMDB01867	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01867	4-Aminohippuric acid	C9H10N2O3	194.06914	HMDB01867	PFEM_hmdb_metabocards_official	NA	NA
+MJ006326	Hydroxyphenylpropanedioic acid; Diamide 	C9H10N2O3	194.069142	NA	MeJP	NA	NA
+MJ006327	Macrophominol 	C9H10N2O3	194.069142	NA	MeJP	NA	NA
+MJ006328	N-(4-Aminobenzoyl)glycine 	C9H10N2O3	194.069142	NA	MeJP	NA	NA
+MJ006329	Nicotinylalanine 	C9H10N2O3	194.069142	NA	MeJP	NA	NA
+MJ006330	Olmidine 	C9H10N2O3	194.069142	NA	MeJP	NA	NA
+MetaCyc01748	N-carbamoyl-D-phenylglycine []	C9H10N2O3	194.069142	NA	metacyc	NA	NA
+CJneg0324	Pyridylacetylglycine [(M-H)]-	C9H9N2O3	194.069725	C18rt(min)=4.64 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0324	Pyridylacetylglycine [(M-H)]-	C9H9N2O3	194.069725	C18rt(min)=4.64 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006331	Anthrone; Enol-form 	C14H10O	194.073164	NA	MeJP	NA	NA
+C11429	Phenanthrene-9,10-oxide	C14H10O	194.0732	NA	KEGG	NA	NA
+C11430	9-Hydroxyphenanthrene	C14H10O	194.0732	NA	KEGG	NA	NA
+C11431	Phenanthrene-1,2-oxide	C14H10O	194.0732	NA	KEGG	NA	NA
+C11432	1-Phenanthrol	C14H10O	194.0732	NA	KEGG	NA	NA
+CJpos0497	2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+ (13C)	C913CH12NO3	194.076675	C18rt(min)=6.13 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0498	4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+ (13C)	C913CH12NO3	194.076675	C18rt(min)=6.62 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0499	Methylhippuric acid isomer [(M+H)]+ (13C)	C913CH12NO3	194.076675	C18rt(min)=6.25 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0497	2-methylhippuric acid (ortho-methylhippuric acid) [(M+H)]+ (13C)	C913CH12NO3	194.076675	C18rt(min)=6.13 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0498	4-methylhippuric acid (para-methylhippuric acid) [(M+H)]+ (13C)	C913CH12NO3	194.076675	C18rt(min)=6.62 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0499	Methylhippuric acid isomer [(M+H)]+ (13C)	C913CH12NO3	194.076675	C18rt(min)=6.25 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0325	4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]- (13C)	C913CH10NO3	194.077825	C18rt(min)=6.62 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0326	2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]- (13C)	C913CH10NO3	194.077825	C18rt(min)=6.13 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0325	4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)]- (13C)	C913CH10NO3	194.077825	C18rt(min)=6.62 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0326	2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)]- (13C)	C913CH10NO3	194.077825	C18rt(min)=6.13 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03365	5-O-Methyl-myo-inositol	C7H14O6	194.079	NA	KEGG	NA	NA
+C03619	Methyl beta-D-galactoside	C7H14O6	194.079	NA	KEGG	NA	NA
+C03620	Monocarboxylic acid amide	CH2NOR	194.079	NA	KEGG	NA	NA
+C03659	1-O-Methyl-myo-inositol	C7H14O6	194.079	NA	KEGG	NA	NA
+C03660	3-O-Methyl-myo-inositol	C7H14O6	194.079	NA	KEGG	NA	NA
+C03844	D-Pinitol	C7H14O6	194.079	NA	KEGG	NA	NA
+C05163	O-Methyl-scyllo-inositol	C7H14O6	194.079	NA	KEGG	NA	NA
+C06352	4-O-Methyl-myo-inositol	C7H14O6	194.079	NA	KEGG	NA	NA
+C06353	6-O-Methyl-myo-inositol	C7H14O6	194.079	NA	KEGG	NA	NA
+C08257	(-)-Quebrachitol	C7H14O6	194.079	NA	KEGG	NA	NA
+MJ006332	1-C-Methyl-scyllo-inositol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006333	1-O-Methyl-myo-inositol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006334	2-Deoxy-arabino-hexonic acid, Me ester 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006335	3-O-Methylgalactose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006336	3-O-Methylglucose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006337	3-O-Methylmannose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006338	4-C-Methyl-myo-inositol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006339	4-O-Methyl-myo-inositol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006340	6-Deoxy-altro-heptose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006341	6-Deoxy-manno-heptose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006342	6-O-Methylgalactose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006343	7-Deoxy-D-glycero-D-gluco-heptose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006344	7-Deoxy-L-glycero-D-gluco-heptose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006345	7-Deoxy-altro-2-heptulose 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006346	Fulvanol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006347	Methyl ?-D-glucopyranoside 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006348	Sequoyitol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006349	allo-Inositol; 5-Me 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006350	chiro-Inositol, 1-Me 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006351	chiro-Inositol, 3-Me 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006352	chiro-Inositol, 2-Me 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006353	chiro-Inositol, 3-Me 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006354	muco-Inositol; 1-Me 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006355	1-O-Methyl-myo-inositol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MJ006356	3-O-Methyl-myo-inositol 	C7H14O6	194.079038	NA	MeJP	NA	NA
+MetaCyc01749	methyl-&beta;-D-galactoside [methyl &beta;-D-galactopyranoside;]	C7H14O6	194.079038	1824-94-8	metacyc	NA	NA
+MetaCyc01750	5D-5-O-methyl-chiro-inositol [6-methoxycyclohexane-1,2,3,4,5-pentaol;]	C7H14O6	194.079038	NA	metacyc	NA	NA
+MetaCyc01751	3-O-methyl-&alpha;-D-glucopyranose []	C7H14O6	194.079038	13224-94-7	metacyc	NA	NA
+MetaCyc01752	3-O-methyl-myo-inositol [1-methyl-myo-inositol;1D-3-O-methyl-myo-inositol;]	C7H14O6	194.079038	NA	metacyc	NA	NA
+MetaCyc01753	5-O-methyl-myo-inositol [1D-5-O-methyl-myo-inositol;sequoyitol;]	C7H14O6	194.079038	523-92-2	metacyc	NA	NA
+MetaCyc01754	4-methyl-myo-inositol [4-O-methyl-myo-inositol;]	C7H14O6	194.079038	NA	metacyc	NA	NA
+MetaCyc01755	1-O-methyl-myo-inositol [1D-1-O-methyl-myo-inositol;]	C7H14O6	194.079038	NA	metacyc	NA	NA
+MetaCyc01756	methyl &alpha;-D-mannopyranoside [&alpha;-methyl mannopyranoside;1-O-methyl-&alpha;-D-mannopyranoside;methyl &alpha;-D-mannoside;&alpha;-D-methyl mannoside;&alpha;-methyl-D-(-)-mannoside;]	C7H14O6	194.079038	617-04-9	metacyc	NA	NA
+MetaCyc01757	methyl &alpha;-D-glucoside [&alpha;-methyl-D-glucoside;&alpha;-Methylglucoside;methyl &alpha;-D-glucopyranose;methyl &alpha;-D-glucopyranoside;Methyl-D-glucoside;]	C7H14O6	194.079038	97-30-3	metacyc	NA	NA
+MetaCyc01758	methyl &beta;-D-glucoside [methyl-&beta;-D-glucopyranoside;1-O-methyl-&beta;-D-glucopyranose;methyl-&beta;-D-glucopyranoside hemihydrate;]	C7H14O6	194.079038	709-50-2	metacyc	NA	NA
+MetaCyc01759	methyl-&alpha;-D-galactopyranoside [1-O-methyl-&alpha;-D-galactopyranose;]	C7H14O6	194.079038	3396-99-4	metacyc	NA	NA
+CJpos0500	Caffeine [(M+H)]+	C8H11N4O2	194.079875	C18rt(min)=5.58 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0500	Caffeine [(M+H)]+	C8H11N4O2	194.079875	C18rt(min)=5.58 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006357	Caffeine 	C8H10N4O2	194.080375	NA	MeJP	NA	NA
+MJ006358	Xanthine; 7H-form, 3-Propyl 	C8H10N4O2	194.080375	NA	MeJP	NA	NA
+MetaCyc01760	caffeine [1,3,7-trimethylxanthine;]	C8H10N4O2	194.080376	NA	metacyc	NA	NA
+HMDB01847	Caffeine	C8H10N4O2	194.08038	http://www.hmdb.ca/metabolites/HMDB01847	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01847	Caffeine	C8H10N4O2	194.08038	http://www.hmdb.ca/metabolites/HMDB01847	HMDB	NA	NA
+HMDB01847	Caffeine	C8H10N4O2	194.08038	http://www.hmdb.ca/metabolites/HMDB01847	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01847	Caffeine	C8H10N4O2	194.08038	HMDB01847	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01847	Caffeine	C8H10N4O2	194.080383	NA	HMDB2010	NA	NA
+EUR630	Caffeine 	[M+H]+	194.0804	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR630	Caffeine 	[M+H]+	194.0804	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR630	Caffeine 	[M+H]+	194.0804	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR630	Caffeine 	[M+H]+	194.0804	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C07481	Caffeine	C8H10N4O2	194.0804	NA	KEGG	NA	NA
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	HMDB	NA	NA
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	Inhouse_PFEM	NA	NA
+MLBis015	Caffeine	NA	194.081	195.0882	Inhouse_sept12	NA	NA
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis015	Caffeine	HMDB01847_RT5.85_add	194.081	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+8049	synthetic peptide	PWS	194.0815	MH2+	Inhouse_peptide	NA	peptide
+MJ006359	1-Vinyl-?-carboline 	C13H10N2	194.084398	NA	MeJP	NA	NA
+MJ006360	2-Aminoacridine 	C13H10N2	194.084398	NA	MeJP	NA	NA
+MJ006361	3-Aminoacridine 	C13H10N2	194.084398	NA	MeJP	NA	NA
+MJ006362	4-Aminoacridine 	C13H10N2	194.084398	NA	MeJP	NA	NA
+MJ006363	9-Aminoacridine 	C13H10N2	194.084398	NA	MeJP	NA	NA
+MJ006364	1-(3,4-Dihydroxyphenyl)-1-propanone; Di-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006365	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006366	2,3-Dihydro-2,2-dimethyl-2H-1-benzopyran-4,6-diol 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006367	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one; 2-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006368	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one; 7-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006369	2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; 7-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006370	2-Acetyl-4,4,6-trimethyl-1,3-cyclohexanedione; 4,5-Didehydro 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006371	2-Hydroxy-5-(3-hydroxybutyl)benzaldehyde 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006372	2-Hydroxybenzoic acid; Butyl ester 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006373	2-Vinyl-1,3,5-benzenetriol; Tri-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006374	3,4-Dihydro-3,6-dihydroxy-2,2-dimethyl-2H-1-benzopyran 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006375	3,4-Dihydro-3-methyl-1H-2-benzopyran-6,8-diol, 8-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006376	3,4-Dihydro-6,7-dihydroxy-1,1-dimethyl-1H-2-benzopyran 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006377	3-(1-Hexenyl)-4-methyl-2,5-furandione 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006378	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006379	3-(3-Methyl-1,3-butadienylidene)-7-oxabicyclo[4.1.0]heptane-2,5-diol 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006380	3-Hydroxy-5-phenylpentanoic acid, O-?-D-Glucopyranoside 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006381	4,5-Dimethoxy-2-(2-propenyl)phenol 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006382	4-(1-Propenyl)-1,2-benzenediol, Di-Me ether, 1'R*,2'R*-epoxide 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006383	4-(2,5-Dihydroxyphenyl)-2-methyl-3-buten-2-ol 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006384	4-(3,4-Dihydroxyphenyl)-2-butanone; 3-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006385	4-(3,4-Dihydroxyphenyl)-2-butanone; 4-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006386	4-(3,4-Dihydroxyphenyl)-2-buten-1-ol, 3'-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006387	4-Hydroxybenzoic acid; Butyl ester 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006388	5-(2-Propenyl)-1,2,3-benzenetriol; 1,2-Di-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006389	5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006390	5-(2-Propenyl)-1,2,4-benzenetriol; 1,4-Di-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006391	5-Hydroxy-3-(3-methyl-3-butenyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006392	5-Hydroxy-?,?-dimethyl-2-benzofuranmethanol; 2,3-Dihydro 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006393	5-Vinyl-1,2,4-benzenetriol; Tri-Me ether 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006394	Feroxidin 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006395	Galiellactone 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006396	Kobifuranone B 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006397	Loliolide, 6-Ketone 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006398	Nakienone A 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006399	Nakienone B 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006400	Nakienone C 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006401	Nectriapyrone 	C11H14O3	194.094294	NA	MeJP	NA	NA
+MJ006402	Xialenone C; 3a,6a-Dideoxy, 3a,6a-didehydro, 2?,3?-dihydro 	C11H14O3	194.094294	NA	MeJP	NA	NA
+C17497	Zingerone	C11H14O3	194.0943	NA	KEGG	NA	NA
+8005	synthetic peptide	LWA	194.1	MH2+	Inhouse_peptide	NA	peptide
+MJ006403	Trimethyl[3-(methylthio)propyl]ammonium(1+); S-Me 	C8H21NS2(+)	194.103716	NA	MeJP	NA	NA
+C01297	6-Hydroxypseudooxynicotine	C10H14N2O2	194.1055	NA	KEGG	NA	NA
+C17964	Pilocarpidine	C10H14N2O2	194.1055	NA	KEGG	NA	NA
+MJ006404	2-Amino-3-(aminomethylphenyl)propanoic acid 	C10H14N2O2	194.105527	NA	MeJP	NA	NA
+MJ006405	5-Hydroxy-3,4'-dimethyl-[1,2'-bipyrrole]-2,5'(2'H,5H)-dione; 5-Deoxy, 3',4'-dihydro 	C10H14N2O2	194.105527	NA	MeJP	NA	NA
+MJ006406	Loline; 5,6-Didehydro, N-Ac 	C10H14N2O2	194.105527	NA	MeJP	NA	NA
+MJ006407	Nerbacadol 	C10H14N2O2	194.105527	NA	MeJP	NA	NA
+MJ006408	Phenocoll 	C10H14N2O2	194.105527	NA	MeJP	NA	NA
+MJ006409	Pilocarpine, N-De-Me 	C10H14N2O2	194.105527	NA	MeJP	NA	NA
+MetaCyc01761	6-hydroxypseudooxynicotine [1-(6-hydroxypyrid-3-yl)-4-(methylamino)butan-1-one;(3-methylamino-propyl)-(6-hydroxy-pyridyl-(3))-ketone;1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one;]	C10H14N2O2	194.105528	NA	metacyc	NA	NA
+MJ006410	Azimexon 	C9H14N4O	194.116761	NA	MeJP	NA	NA
+MJ006411	1-Hydroxy-11,12,13-trinor-9-eremophilen-8-one; 1?-form 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006412	11,12,13-Trinor-3,8-eudesmanedione 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006413	11-Methyl-3,6-undecadienolide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006414	2,4,6-Dodecatrienoic acid 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006415	2,4,7-Decatrienoic acid, Et ester 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006416	2-Acetoxy-p-mentha-1,8-diene 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006417	2-Isopropyl-5-methyl-1,4-benzenediol; Di-Me ether 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006418	2-Isopropyl-5-methylphenol; (2-Hydroxyethyl) ether 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006419	2-Pinen-10-ol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006420	2-Pinen-6-ol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006421	2-Pinen-8-ol; Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006422	3,6,9-Dodecatrienoic acid 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006423	4(10)-Thujen-3-ol; Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006424	4,8-Dimethyl-4,8-decadienolide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006425	4-Hexyl-1,3-benzenediol 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006426	4-Hydroxy-11,12,13-trinor-7-eudesmanone, 5,6-Didehydro 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006427	4-Hydroxy-11,12,13-trinor-7-eudesmanone, 8,9-Didehydro 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006428	5,5-Dimethyl-6-methylenebicyclo[2.2.1]heptan-2-ol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006429	5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006430	6,8-Dimethyl-2,4,6-decatrienoic acid 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006431	6-(1-Heptenyl)-5,6-dihydro-2H-pyran-2-one 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006432	6-Heptyl-2H-pyran-2-one 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006433	Anastrephin 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006434	Clavukerin C 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006435	Clavularin A 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006436	Cnidilide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006437	Dihydro-5-(2,5-octadienyl)-2(3H)-furanone 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006438	Elijopyrone D; 1',2'-Dihydro 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006439	Lyratol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006440	Neocnidilide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006441	Norbisabolide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006442	Norpechuelol 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006443	Suspensolide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006444	Tuberolide 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006445	p-Mentha-1(7),5-dien-2-ol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+MJ006446	p-Mentha-1,8-dien-10-ol, Ac 	C12H18O2	194.130679	NA	MeJP	NA	NA
+C14305	4-Hexyloxyphenol	C12H18O2	194.1307	NA	KEGG	NA	NA
+C16937	Cnidilide	C12H18O2	194.1307	NA	KEGG	NA	NA
+C17002	Neocnidilide	C12H18O2	194.1307	NA	KEGG	NA	NA
+MJ006447	1,1',4,4',5,5',6,6'-Octahydro-5-methoxy-2,3'-bipyridine 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006448	1,2,3,4-Tetrahydro-5-(2-pyrrolidinyl)pyridine; N1-Ac 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006449	Lupinus Alkaloid P2 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006450	Mutaaspergillic acid; Dideoxy 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006451	Prisotinol 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006452	Tenuamine 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006453	Tetrahydrocytisine 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006454	Virgilidone 	C11H18N2O	194.141913	NA	MeJP	NA	NA
+MJ006455	Coryphanthine 	C12H20NO	194.154489	NA	MeJP	NA	NA
+MJ006456	1,2-Dinor-6,10-farnesadien-3-one 	C13H22O	194.167065	NA	MeJP	NA	NA
+MJ006457	5,7-Megastigmadien-9-one; 7,8-Dihydro 	C13H22O	194.167065	NA	MeJP	NA	NA
+MJ006458	5,9-Epoxy-3,6-megastigmadiene, 6?,7-Dihydro 	C13H22O	194.167065	NA	MeJP	NA	NA
+MJ006459	5,9-Epoxy-3,6-megastigmadiene, 6?,7-Dihydro 	C13H22O	194.167065	NA	MeJP	NA	NA
+MJ006460	5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one 	C13H22O	194.167065	NA	MeJP	NA	NA
+MJ006461	5-Isopropyl-8-methyl-6,8-nonadien-2-one 	C13H22O	194.167065	NA	MeJP	NA	NA
+MJ006462	Theaspirane 	C13H22O	194.167065	NA	MeJP	NA	NA
+MetaCyc01762	oxidized latia luciferin []	C13H22O1	194.167065	NA	metacyc	NA	NA
+C03527	Oxidized Latia luciferin	C13H22O	194.1671	NA	KEGG	NA	NA
+C03529	Peptide formylkynurenine	C12H11N3O4R2	194.1671	NA	KEGG	NA	NA
+C03530	Peptidyl-L-lysyl-peptide	C12H20N5O5R3	194.1671	NA	KEGG	NA	NA
+C03531	Peptidyl-allysyl-peptide	C12H17N4O6R3	194.1671	NA	KEGG	NA	NA
+C03533	Picornavirus polyprotein	C12H17N4O6R3	194.1671	NA	KEGG	NA	NA
+C03535	Polysulfate of cellulose	C12H17N4O6R3	194.1671	NA	KEGG	NA	NA
+MJ006463	1,4-Bis(cyclopropylmethyl)-1,4-piperazine 	C12H22N2	194.178298	NA	MeJP	NA	NA
+MJ006464	3-Nonyl-1H-pyrazole 	C12H22N2	194.178298	NA	MeJP	NA	NA
+3296	NA	HHP	194.584	MH2+	Inhouse_peptide	NA	peptide
+3300	NA	PHH	194.584	MH2+	Inhouse_peptide	NA	peptide
+3311	NA	HPH	194.584	MH2+	Inhouse_peptide	NA	peptide
+MJ006465	Zirconium chloride (ZrCl3) 	Cl3Zr	194.811261	NA	MeJP	NA	NA
+C15997	Potassium 2,6-dihydroxytriazinecarboxylate	C4H2N3O4	194.9682	NA	KEGG	NA	NA
+MJ006466	3-Bromo-1H-indole 	C8H6BrN	194.968361	NA	MeJP	NA	NA
+EUR648	Selenomethionine [M+H]+	NA	194.998675	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR648	Selenomethionine [M+H]+	NA	194.998675	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR648	Selenomethionine [M+H]+	NA	194.998675	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR648	Selenomethionine [M+H]+	NA	194.998675	1.31	Inhousejuil11	NA	NA
+MJ006467	2-Amino-5-phosphono-3-pentenoic acid 	C5H10NO5P	195.029658	NA	MeJP	NA	NA
+MJ006468	2-Amino-5,8-dihydro-4,6,7(1H)-pteridinetrione 	C6H5N5O3	195.039239	NA	MeJP	NA	NA
+MJ006469	Elmustine 	C5H10ClN3O3	195.041068	NA	MeJP	NA	NA
+CJneg0327	Glucuronic acid (and isomers) [(M-H)]- (13C)	C513CH9O7	195.046525	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0327	Glucuronic acid (and isomers) [(M-H)]- (13C)	C513CH9O7	195.046525	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0501	m-Hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0502	o-Hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=6.4 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0503	p-Hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=4.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0504	?-hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=5.18 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0501	m-Hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0502	o-Hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=6.4 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0503	p-Hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=4.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0504	?-hydroxyhippuric acid [(M+H)]+	C9H10NO4	195.052575	C18rt(min)=5.18 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006470	2,6-Pyridinedicarboxylic acid; Di-Me ester 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006471	2,6-Pyridinedicarboxylic acid; Mono-Et ester 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006472	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 7-Me ether 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006473	3-(4-Hydroxyphenyl)-2-oxopropanoic acid; Oxime 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006474	3-[(Carboxymethyl)amino]benzoic acid 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006475	6,7-Dimethoxy-1(3H)-benzoxazolone 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006476	?-Amino-4-carboxybenzeneacetic acid 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006477	Dioxolide A; 3a,4-Didehydro 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006478	Dopaquinone 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006479	Forphenicine 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006480	N-(2-Hydroxybenzoyl)glycine 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006481	Pencolide 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006482	?-Amino-3-carboxybenzeneacetic acid 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006483	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MJ006484	Dopaquinone 	C9H9NO4	195.053157	NA	MeJP	NA	NA
+MetaCyc01763	dopaquinone []	C9H9N1O4	195.053158	NA	metacyc	NA	NA
+MetaCyc01764	HMBOA [2-hydroxy-7-methoxy-1,4-benzoxazin-3-one;]	C9H9N1O4	195.053158	NA	metacyc	NA	NA
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB00840	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB06116	3-Hydroxyhippuric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB06116	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB00840	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB00840	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB06116	3-Hydroxyhippuric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB06116	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB00840	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB06116	3-Hydroxyhippuric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB06116	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB00840	HMDB	NA	NA
+HMDB01229	Dopaquinone	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB01229	HMDB	NA	NA
+HMDB02016	4-Carboxyphenylglycine	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB02016	HMDB	NA	NA
+HMDB02404	alpha-Hydroxyhippuric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB02404	HMDB	NA	NA
+HMDB04067	Leucodopachrome	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB04067	HMDB	NA	NA
+HMDB06116	3-Hydroxyhippuric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB06116	HMDB	NA	NA
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	NA  ;SYN:L-b-Aminoisobutyric acid; L-3-Amino-2-methylpropionic acid; L-3-Amino-2-methylpropanoic acid; L-2-methyl-b-Alanine; (S)-b-Aminoisobutyric acid; (S)-3-amino-2-methyl-Propanoic acid; (+)-b-Aminoisobutyric acid; (+)-a-Methyl-b-alanine; S-b-aminoisobutyrate; S-beta-aminoisobutyrate; S-beta-aminoisobutyric acid; L-beta-Aminoisobutyric acid; L-2-methyl-beta-Alanine; (S)-beta-Aminoisobutyric acid; (+)-beta-Aminoisobutyric acid; (+)-alpha-Methyl-beta-alanine; L-beta-aminoisobutyrate; L-b-aminoisobutyrate; L-3-Amino-isobutanoate; (S)-3-Amino-isobutyrate; L-3-Amino-isobutyrate; (S)-3-Amino-isobutanoate; (S)-3-Amino-2-methylpropanoate; L-3-Amino-isobutanoic acid; (S)-3-Amino-isobutyric acid; L-3-Amino-isobutyric acid; (S)-3-Amino-isobutanoic acid; (S)-3-Amino-2-methylpropanoic acid; L-3-Amino-2-methylpropanoate; (S)-3-amino-2-methyl-PropanoateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	http://www.hmdb.ca/metabolites/HMDB00840	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00840	Salicyluric acid	C9H9NO4	195.05316	HMDB00840	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01229	Dopaquinone	C9H9NO4	195.05316	HMDB01229	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02016	4-Carboxyphenylglycine	C9H9NO4	195.05316	HMDB02016	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02404	alpha-Hydroxyhippuric acid	C9H9NO4	195.05316	HMDB02404	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04067	Leucodopachrome	C9H9NO4	195.05316	HMDB04067	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06116	3-Hydroxyhippuric acid	C9H9NO4	195.05316	HMDB06116	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00840	Salicyluric acid	C9H9NO4	195.053162	NA	HMDB2010	NA	NA
+HMDB01229	Dopaquinone	C9H9NO4	195.053162	NA	HMDB2010	NA	NA
+HMDB02016	4-Carboxyphenylglycine	C9H9NO4	195.053162	NA	HMDB2010	NA	NA
+HMDB02404	Alpha-Hydroxyhippuric acid	C9H9NO4	195.053162	NA	HMDB2010	NA	NA
+HMDB04067	Leucodopachrome	C9H9NO4	195.053162	NA	HMDB2010	NA	NA
+HMDB06116	3-Hydroxyhippuric acid	C9H9NO4	195.053162	NA	HMDB2010	NA	NA
+C00822	Dopaquinone	C9H9NO4	195.0532	NA	KEGG	NA	NA
+C04274	1,2-Epoxy-3-(p-Nitrophenoxy)propane	C9H9NO4	195.0532	NA	KEGG	NA	NA
+C05604	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole	C9H9NO4	195.0532	NA	KEGG	NA	NA
+C05605	Copachrome	C9H9NO4	195.0532	NA	KEGG	NA	NA
+C05606	Melanin	C9H9NO4	195.0532	NA	KEGG	NA	NA
+C07588	Salicyluric acid	C9H9NO4	195.0532	NA	KEGG	NA	NA
+CJneg0328	m-Hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=6 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0329	o-Hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=6.4 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0330	p-Hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0331	?-hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0328	m-Hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=6 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0329	o-Hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=6.4 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0330	p-Hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0331	?-hydroxyhippuric acid [(M-H)]-	C9H8NO4	195.053725	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006485	4-Amino-5-(methylthio)-1,2,3-cyclopentanetriol, S-Oxide 	C6H13NO4S	195.056528	NA	MeJP	NA	NA
+CJpos0505	Monoethyl phthalate [(M+H)]+ (13C)	C913CH11O4	195.060675	C18rt(min)=7.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0505	Monoethyl phthalate [(M+H)]+ (13C)	C913CH11O4	195.060675	C18rt(min)=7.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+3121	a1-chain of collagen fr,: 435-438	DGEA	195.06345	MH2+	Inhouse_peptide	NA	peptide
+CJneg0332	Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M+Cl)]-	C7H13ClNO3	195.066725	C18rt(min)=4.6 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0332	Methyl (hydroxymethyl)pyrrolidine-carboxylate / Methyl (hydroxy)piperidine-carboxylate [(M+Cl)]-	C7H13ClNO3	195.066725	C18rt(min)=4.6 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14591	4-(2-Benzofuranyl)pyridine	C13H9NO	195.0684	NA	KEGG	NA	NA
+MJ006486	4-(2-Benzofuranyl)pyridine 	C13H9NO	195.068413	NA	MeJP	NA	NA
+MJ006487	9H-Carbazole-3-carboxaldehyde 	C13H9NO	195.068413	NA	MeJP	NA	NA
+MJ006488	Acridone 	C13H9NO	195.068413	NA	MeJP	NA	NA
+MJ006489	Onychine 	C13H9NO	195.068413	NA	MeJP	NA	NA
+MJ006490	Fluparoxan 	C10H10FNO2	195.069556	NA	MeJP	NA	NA
+CJpos0506	Pyridylacetylglycine [(M+H)]+ (13C)	C813CH11N2O3	195.071975	C18rt(min)=4.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0506	Pyridylacetylglycine [(M+H)]+ (13C)	C813CH11N2O3	195.071975	C18rt(min)=4.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006491	2-Amino-2-deoxy-D-gluconate 	C6H13NO6	195.074287	NA	MeJP	NA	NA
+MetaCyc01765	glucosaminate [D-Glucosaminate;D-Glucosaminic acid;Glucosaminate;2-amino-2-deoxy-D-gluconate;]	C6H13N1O6	195.074287	3646-68-2	metacyc	NA	NA
+C02264	D-Glucose oxime	C6H13NO6	195.0743	NA	KEGG	NA	NA
+C03752	2-Amino-2-deoxy-D-gluconate	C6H13NO6	195.0743	NA	KEGG	NA	NA
+C01300	2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine	C7H9N5O2	195.0756	NA	KEGG	NA	NA
+MJ006492	2-Amino-6,8-dihydroxypurine; 7,O6-Di-Me 	C7H9N5O2	195.075624	NA	MeJP	NA	NA
+MJ006493	2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine 	C7H9N5O2	195.075624	NA	MeJP	NA	NA
+MetaCyc01766	6-hydroxymethyl-dihydropterin [dihydropterin-CH2OH;2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine;]	C7H9N5O2	195.075625	NA	metacyc	NA	NA
+MetaCyc01767	2-amino-4-hydroxy-6-hydroxymethyl dihydropteridin [2-amino-4-hydroxy-6-hydroxy-methyl-dihydropteridin;2-amino-4-hydroxy-6-hydroxymethyldihydropteridin;]	C7H9N5O2	195.075625	NA	metacyc	NA	NA
+MJ006494	2-(1H-imidazol-4-yl)quinoline 	C12H9N3	195.079647	NA	MeJP	NA	NA
+C10970	SK&F 86466	C11H14ClN	195.0815	NA	KEGG	NA	NA
+CJpos0507	Caffeine [(M+H)]+ (13C)	C713CH11N4O2	195.083175	C18rt(min)=5.58 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0507	Caffeine [(M+H)]+ (13C)	C713CH11N4O2	195.083175	C18rt(min)=5.58 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+3341	ACE inhibitor	FQP	195.089	MH2+	Inhouse_peptide	NA	peptide
+C03404	L-Tyrosine methyl ester	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C03405	Lactosylceramide sulfate	C31H56NO16SR	195.0895	NA	KEGG	NA	NA
+C07921	Metyrosine	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C07922	Transferred to D00763	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C07923	Transferred to D00764	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C07924	Transferred to D00765	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C07925	Transferred to D00766	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C07926	Transferred to D00767	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C10588	Damascenine	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C11820	alpha-Methyl-m-tyrosine	C10H13NO3	195.0895	NA	KEGG	NA	NA
+C16586	2-Phenyl-1,3-propanediol monocarbamate	C10H13NO3	195.0895	NA	KEGG	NA	NA
+MJ006495	2-Amino-3-(3-hydroxymethylphenyl)propanoic acid 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006496	2-Amino-3-(4-hydroxymethylphenyl)propanoic acid 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006497	2-Amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006498	2-Amino-3-(4-methoxyphenyl)propanoic acid 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006499	2-Amino-3-hydroxybenzoic acid; O,N-Di-Me, Me ester 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006500	2-Hydroxyethyl benzylcarbamate 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006501	3-Amino-2-hydroxy-4-phenylbutanoic acid 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006502	4-Ethoxyaniline; N-(Hydroxyacetyl) 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006503	5-(1-Hydroxyethyl)-3-pyridinecarboxylic acid; Me ether, Me ester 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006504	5-(3-Hydroxybutyl)-2-pyridinecarboxylic acid 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006505	Dopamine; N-Ac 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006506	Linavuline 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MJ006507	N-Methyltyrosine 	C10H13NO3	195.089543	NA	MeJP	NA	NA
+MetaCyc01768	L-tyrosine-methyl-ester []	C10H13N1O3	195.089543	1080-06-4	metacyc	NA	NA
+MJ006508	Aminometradine 	C9H13N3O2	195.100776	NA	MeJP	NA	NA
+MJ006509	Amisometradine 	C9H13N3O2	195.100776	NA	MeJP	NA	NA
+MJ006510	Carpronium(1+); Chloride 	C8H18ClNO2	195.102606	NA	MeJP	NA	NA
+MJ006511	2-Methyl-6-styrylpyridine 	C14H13N	195.104799	NA	MeJP	NA	NA
+MJ006512	N-Methyl-N-2-propynyl-2-naphthalenamine 	C14H13N	195.104799	NA	MeJP	NA	NA
+MJ006513	1-Amino-1-deoxyglucitol, N-Me 	C7H17NO5	195.110672	NA	MeJP	NA	NA
+MJ006514	2-Amino-1-(2,5-dimethoxyphenyl)propane 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006515	3,4-Dimethoxyphenethylamine; N-Me 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006516	4-(3-Aminopropyl)-1,2-benzenediol; Di-Me ether 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006517	4-Hydroxy-3-methoxyphenethylamine; N,N-Di-Me 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006518	5-(Hydroxymethyl)-1H-pyrrole-2-carboxaldehyde; N-(3-Methylbutyl) 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006519	Deterenol 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006520	Glaucenamide 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006521	Metaterol 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006522	Synephrine, ?-Et ether 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006523	Tecomanine; 4-Hydroxy 	C11H17NO2	195.125928	NA	MeJP	NA	NA
+MJ006524	Coryneine 	C11H18NO2(+)	195.125928	NA	MeJP	NA	NA
+MJ006525	Dolichotheline 	C10H17N3O	195.137162	NA	MeJP	NA	NA
+C16696	Dolichotheline	C10H17N3O	195.1372	NA	KEGG	NA	NA
+MJ006526	2,4-Octadienoic acid, 2-Methylpropylamide 	C12H21NO	195.162314	NA	MeJP	NA	NA
+MJ006527	2-(1-Piperidinylmethyl)cyclohexanone 	C12H21NO	195.162314	NA	MeJP	NA	NA
+MJ006528	Calyxamine A 	C12H21NO	195.162314	NA	MeJP	NA	NA
+MJ006529	Dicarprine C 	C12H21NO	195.162314	NA	MeJP	NA	NA
+MJ006530	Elaeokanine B 	C12H21NO	195.162314	NA	MeJP	NA	NA
+MJ006531	Pterogynidine 	C11H21N3	195.173547	NA	MeJP	NA	NA
+MJ006532	Pterogynine 	C11H21N3	195.173547	NA	MeJP	NA	NA
+MJ006533	2,5-Dialkylpyrrolidines; 2-Ethyl-5-heptylpyrrolidine, 1,2-Didehydro 	C13H25N	195.198699	NA	MeJP	NA	NA
+MJ006534	2,5-Dialkylpyrrolidines; 2-Ethyl-5-heptylpyrrolidine, 1,5-Didehydro 	C13H25N	195.198699	NA	MeJP	NA	NA
+MJ006535	2-Butyldecahydroquinoline 	C13H25N	195.198699	NA	MeJP	NA	NA
+MJ006536	3-Butyloctahydro-5-methyl-1H-indolizine 	C13H25N	195.198699	NA	MeJP	NA	NA
+MJ006537	4-Methyl-6-propylquinolizidine 	C13H25N	195.198699	NA	MeJP	NA	NA
+MJ006538	Decahydro-2-methyl-5-propylquinoline 	C13H25N	195.198699	NA	MeJP	NA	NA
+MJ006539	Pumiliotoxin C 	C13H25N	195.198699	NA	MeJP	NA	NA
+3354	Antithrombotic peptide	DEE	195.55545	MH2+	Inhouse_peptide	NA	peptide
+7794	Antioxidant peptide derived from egg ovalbumin	VHH	195.592	MH2+	Inhouse_peptide	NA	peptide
+7985	synthetic peptide	HVH	195.592	MH2+	Inhouse_peptide	NA	peptide
+2627	synthetic fr,of human beta-CN (50-52) ACE inhibitor	IYP	195.5995	MH2+	Inhouse_peptide	NA	peptide
+7550	ACE inhibitor	LYP	195.5995	MH2+	Inhouse_peptide	NA	peptide
+7803	ACE inhibitor from as2-casein	IPY	195.5995	MH2+	Inhouse_peptide	NA	peptide
+7807	ACE inhibitor from caprine b-Lg	LLF	195.618	MH2+	Inhouse_peptide	NA	peptide
+C07515	Halothane	C2HBrClF3	195.8902	NA	KEGG	NA	NA
+MJ006540	2-Bromo-2-chloro-1,1,1-trifluoroethane 	C2HBrClF3	195.890225	NA	MeJP	NA	NA
+MJ006541	1,1,3,3-Tetrachloro-2-propanol 	C3H4Cl4O	195.901625	NA	MeJP	NA	NA
+C07098	2,4,6-Trichlorophenol	C6H3Cl3O	195.9249	NA	KEGG	NA	NA
+C07101	2,4,5-Trichlorophenol	C6H3Cl3O	195.9249	NA	KEGG	NA	NA
+MJ006542	2,4,5-Trichlorophenol 	C6H3Cl3O	195.924947	NA	MeJP	NA	NA
+MJ006543	2,4,6-Trichlorophenol 	C6H3Cl3O	195.924947	NA	MeJP	NA	NA
+MJ006544	2,4,5-Trichlorophenol 	C6H3Cl3O	195.924947	NA	MeJP	NA	NA
+MetaCyc01769	trichlorophenol []	C6H3O1CL3	195.924948	NA	metacyc	NA	NA
+MetaCyc01770	1-carboxyvinyl carboxyphosphonate [carboxyphosphonoenolpyruvate;]	C4H5O7P1	195.977289	NA	metacyc	NA	NA
+C06367	1-Carboxyvinyl carboxyphosphonate	C4H5O7P	195.9773	NA	KEGG	NA	NA
+C17946	Carboxyphosphonopyruvate	C4H5O7P	195.9773	NA	KEGG	NA	NA
+JH051	Allantoin [M+K]+	NA	195.9862	1.37	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH051	Allantoin [M+K]+	NA	195.9862	1.37	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH051	Allantoin [M+K]+	NA	195.9862	1.37	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH051	Allantoin [M+K]+	NA	195.9862	1.37	Inhousejuil11	NA	NA
+JH079	Aconitic acid (cis-) [M+Na]+	NA	195.9992	7.59	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH079	Aconitic acid (cis-) [M+Na]+	NA	195.9992	7.59	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH079	Aconitic acid (cis-) [M+Na]+	NA	195.9992	7.59	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH079	Aconitic acid (cis-) [M+Na]+	NA	195.9992	7.59	Inhousejuil11	NA	NA
+MetaCyc01771	xanthine-8-carboxylate []	C6H4N4O4	196.023255	2577-18-6	metacyc	NA	NA
+MetaCyc01772	tetrahydroxypteridine []	C6H4N4O4	196.023255	2817-14-3	metacyc	NA	NA
+C03178	Tetrahydroxypteridine	C6H4N4O4	196.0233	NA	KEGG	NA	NA
+C03179	Transferrin[Fe(III)]2	C6H4N4O4	196.0233	NA	KEGG	NA	NA
+C03314	Xanthine-8-carboxylate	C6H4N4O4	196.0233	NA	KEGG	NA	NA
+C03315	[Dinitrogen reductase]	C7H13N5O2R2	196.0233	NA	KEGG	NA	NA
+C03317	alpha-Amino acid ester	C2H3NO2R2	196.0233	NA	KEGG	NA	NA
+C03318	alpha-Tubulin L-lysine	C7H13N3O2R2	196.0233	NA	KEGG	NA	NA
+MJ006545	2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene, 3',4'-Didehydro 	C13H8S	196.03467	NA	MeJP	NA	NA
+MJ006546	2-(3-Buten-1-ynyl)-5-(1,3-pentadiynyl)thiophene 	C13H8S	196.03467	NA	MeJP	NA	NA
+MJ006547	2-Formyl-3,5-dihydroxy-4-methylbenzoic acid 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006548	3,4,5-Trihydroxy-6-methyl-1,2-benzenedicarboxaldehyde 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006549	3,4,6-Trihydroxy-2-methylbenzoic acid; 3,4-Methylene ether 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006550	3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006551	3-Formyl-2,4-dihydroxy-6-methylbenzoic acid 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006552	3-Hydroxy-4,5-methylenedioxybenzoic acid; Me ether 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006553	4,5,7-Trihydroxy-6-methyl-1(3H)-isobenzofuranone 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MJ006554	3-(3,4-Dihydroxyphenyl)pyruvate 	C9H8O5	196.037173	NA	MeJP	NA	NA
+MetaCyc01773	3,4-dihydroxyphenylpyruvate [3-(3,4-dihydroxyphenyl)-2-oxo-propanoic acid;3-(3,4-dihydroxyphenyl)pyruvate;]	C9H8O5	196.037173	NA	metacyc	NA	NA
+C04045	3-(3,4-Dihydroxyphenyl)pyruvate	C9H8O5	196.0372	NA	KEGG	NA	NA
+C04046	3-D-Glucosyl-1,2-diacylglycerol	C11H16O10R2	196.0372	NA	KEGG	NA	NA
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR233	Acide sialique F7	NA	196.039175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR233	Acide sialique F7	NA	196.039175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR233	Acide sialique F7	NA	196.039175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR233	Acide sialique F7	NA	196.039175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR233	Sialic acid F7	F7	196.039175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ006555	Clominorex 	C9H9ClN2O	196.04034	NA	MeJP	NA	NA
+MJ006556	1-Thioglucose 	C6H12O5S	196.040544	NA	MeJP	NA	NA
+MJ006557	5-Thiomannose; D-Pyranose-form 	C6H12O5S	196.040544	NA	MeJP	NA	NA
+MetaCyc01774	1-thio-&beta;-D-glucose [thioglucose;2-(hydroxymethyl)-6-sulfanyl-tetrahydropyran-3,4,5-triol ]	C6H12O5S1	196.040544	NA	metacyc	NA	NA
+MJ006558	1-(Methylthio)propyl propyl disulfide 	C7H16S3	196.041412	NA	MeJP	NA	NA
+MJ006559	Ethyl 1-(ethylthio)propyl disulfide 	C7H16S3	196.041412	NA	MeJP	NA	NA
+C07723	4-Hydroxy-9-fluorenone	C13H8O2	196.0524	NA	KEGG	NA	NA
+C16211	6,7-Benzocoumarin	C13H8O2	196.0524	NA	KEGG	NA	NA
+MJ006560	3,5,7,9,11-Tridecapentayne-1,2-diol 	C13H8O2	196.052429	NA	MeJP	NA	NA
+MJ006561	4-Hydroxy-9-fluorenone 	C13H8O2	196.052429	NA	MeJP	NA	NA
+MJ006562	5-(6,8-Nona-2,4-diynylidene)-2(5H)-furanone 	C13H8O2	196.052429	NA	MeJP	NA	NA
+MJ006563	Velutyne 	C13H8O2	196.052429	NA	MeJP	NA	NA
+MJ006564	Xanthone 	C13H8O2	196.052429	NA	MeJP	NA	NA
+MetaCyc01775	4-hydroxy-9-fluorenone []	C13H8O2	196.05243	1986-00-1	metacyc	NA	NA
+CJpos0508	?-hydroxyhippuric acid [(M+H)]+ (13C)	C813CH10NO4	196.055975	C18rt(min)=5.18 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0508	?-hydroxyhippuric acid [(M+H)]+ (13C)	C813CH10NO4	196.055975	C18rt(min)=5.18 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0333	m-Hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=6 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0334	o-Hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=6.4 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0335	p-Hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0336	?-hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0333	m-Hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=6 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0334	o-Hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=6.4 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0335	p-Hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0336	?-hydroxyhippuric acid [(M-H)]- (13C)	C813CH8NO4	196.057025	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00565	Galactonic acid	C6H12O7	196.0583	http://www.hmdb.ca/metabolites/HMDB00565	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00565	Galactonic acid	C6H12O7	196.0583	http://www.hmdb.ca/metabolites/HMDB00565	HMDB	NA	NA
+HMDB00625	Gluconic acid	C6H12O7	196.0583	http://www.hmdb.ca/metabolites/HMDB00625	HMDB	NA	NA
+HMDB03290	Gulonic acid	C6H12O7	196.0583	http://www.hmdb.ca/metabolites/HMDB03290	HMDB	NA	NA
+C00257	D-Gluconic acid	C6H12O7	196.0583	NA	KEGG	NA	NA
+C00514	D-Mannonate	C6H12O7	196.0583	NA	KEGG	NA	NA
+C00770	L-Idonate	C6H12O7	196.0583	NA	KEGG	NA	NA
+C00771	Laminarin	C12H22O11	196.0583	NA	KEGG	NA	NA
+C00800	L-Gulonate	C6H12O7	196.0583	NA	KEGG	NA	NA
+C00801	Nucleoside	C5H9O4R	196.0583	NA	KEGG	NA	NA
+C00817	D-Altronate	C6H12O7	196.0583	NA	KEGG	NA	NA
+C00880	D-Galactonate	C6H12O7	196.0583	NA	KEGG	NA	NA
+C03215	2-Carboxy-D-arabinitol	C6H12O7	196.0583	NA	KEGG	NA	NA
+C15930	L-Galactonate	C6H12O7	196.0583	NA	KEGG	NA	NA
+C15931	Magainin 1	C6H12O7	196.0583	NA	KEGG	NA	NA
+HMDB00565	Galactonic acid	C6H12O7	196.0583	http://www.hmdb.ca/metabolites/HMDB00565	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00565	Galactonic acid	C6H12O7	196.0583	HMDB00565	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00625	Gluconic acid	C6H12O7	196.0583	HMDB00625	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03290	Gulonic acid	C6H12O7	196.0583	HMDB03290	PFEM_hmdb_metabocards_official	NA	NA
+MJ006565	D-Galactonate 	C6H12O7	196.058302	NA	MeJP	NA	NA
+MJ006566	D-Gluconic acid 	C6H12O7	196.058302	NA	MeJP	NA	NA
+MJ006567	D-Mannonate 	C6H12O7	196.058302	NA	MeJP	NA	NA
+MJ006568	L-Gulonate 	C6H12O7	196.058302	NA	MeJP	NA	NA
+MJ006569	2-C-(Hydroxymethyl)ribonic acid 	C6H12O7	196.058302	NA	MeJP	NA	NA
+MetaCyc01776	L-idonate [L-idonic acid;]	C6H12O7	196.058303	1114-17-6	metacyc	NA	NA
+MetaCyc01777	gluconate [D-gluconate;D-gluconoate;gluconic acid;D-gluconic acid;dextronic acid;aldonic acid;maltonic acid;]	C6H12O7	196.058303	526-95-4	metacyc	NA	NA
+MetaCyc01778	D-galactonate [galactonate;]	C6H12O7	196.058303	NA	metacyc	NA	NA
+MetaCyc01779	D-altronate [altronate;]	C6H12O7	196.058303	NA	metacyc	NA	NA
+MetaCyc01780	2-carboxy-D-arabinitol []	C6H12O7	196.058303	NA	metacyc	NA	NA
+MetaCyc01781	D-mannonate [mannonate;]	C6H12O7	196.058303	NA	metacyc	NA	NA
+MetaCyc01782	L-gulonate [gulonate;]	C6H12O7	196.058303	NA	metacyc	NA	NA
+MetaCyc01783	D-gulonate []	C6H12O7	196.058303	NA	metacyc	NA	NA
+HMDB00565	Galactonic acid	C6H12O7	196.058304	NA	HMDB2010	NA	NA
+HMDB00625	Gluconic acid	C6H12O7	196.058304	NA	HMDB2010	NA	NA
+HMDB03290	Gulonic acid	C6H12O7	196.058304	NA	HMDB2010	NA	NA
+CJneg0337	Gluconic acid (and isomers) [(M-H)]-	C6H11O7	196.058825	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0337	Gluconic acid (and isomers) [(M-H)]-	C6H11O7	196.058825	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0509	3,7-Dimethyluric acid [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.3 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0510	1,7-dimethyluric acid [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.96 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0511	1,3-dimethyluric acid [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.67 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0512	Dimethyluric acid isomer [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=5.1 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0513	Dimethyluric acid isomer [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=6 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0514	Dimethyluric acid isomer [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.8 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0509	3,7-Dimethyluric acid [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.3 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0510	1,7-dimethyluric acid [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.96 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0511	1,3-dimethyluric acid [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.67 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0512	Dimethyluric acid isomer [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=5.1 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0513	Dimethyluric acid isomer [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=6 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0514	Dimethyluric acid isomer [(M+H)]+	C7H9N4O3	196.059075	C18rt(min)=4.8 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C16356	1,7-Dimethyluric acid	C7H8N4O3	196.0596	NA	KEGG	NA	NA
+C16360	3,7-Dimethyluric acid	C7H8N4O3	196.0596	NA	KEGG	NA	NA
+MJ006570	Uric acid; 1,3-Di-Me 	C7H8N4O3	196.05964	NA	MeJP	NA	NA
+HMDB01857	1,3-Dimethyluric acid	C7H8N4O3	196.059647	NA	HMDB2010	NA	NA
+HMDB01982	3,7-Dimethyluric acid	C7H8N4O3	196.059647	NA	HMDB2010	NA	NA
+HMDB02026	1,9-Dimethyluric acid	C7H8N4O3	196.059647	NA	HMDB2010	NA	NA
+HMDB04308	7,9-Dimethyluric acid	C7H8N4O3	196.059647	NA	HMDB2010	NA	NA
+HMDB11103	1,7-Dimethyluric acid	C7H8N4O3	196.059647	NA	HMDB2010	NA	NA
+HMDB01857	1,3-Dimethyluric acid	C7H8N4O3	196.05965	http://www.hmdb.ca/metabolites/HMDB01857	HMDB	NA	NA
+HMDB01982	3,7-Dimethyluric acid	C7H8N4O3	196.05965	http://www.hmdb.ca/metabolites/HMDB01982	HMDB	NA	NA
+HMDB02026	1,9-Dimethyluric acid	C7H8N4O3	196.05965	http://www.hmdb.ca/metabolites/HMDB02026	HMDB	NA	NA
+HMDB04308	7,9-Dimethyluric acid	C7H8N4O3	196.05965	http://www.hmdb.ca/metabolites/HMDB04308	HMDB	NA	NA
+HMDB01857	1,3-Dimethyluric acid	C7H8N4O3	196.05965	HMDB01857	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01982	3,7-Dimethyluric acid	C7H8N4O3	196.05965	HMDB01982	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02026	1,9-Dimethyluric acid	C7H8N4O3	196.05965	HMDB02026	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04308	7,9-Dimethyluric acid	C7H8N4O3	196.05965	HMDB04308	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0338	1,3-dimethyluric acid [(M-H)]-	C7H7N4O3	196.060225	C18rt(min)=4.67 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0339	1,7-dimethyluric acid [(M-H)]-	C7H7N4O3	196.060225	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0340	3,7-Dimethyluric acid [(M-H)]-	C7H7N4O3	196.060225	C18rt(min)=4.3 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0338	1,3-dimethyluric acid [(M-H)]-	C7H7N4O3	196.060225	C18rt(min)=4.67 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0339	1,7-dimethyluric acid [(M-H)]-	C7H7N4O3	196.060225	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0340	3,7-Dimethyluric acid [(M-H)]-	C7H7N4O3	196.060225	C18rt(min)=4.3 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006571	Alafosfalin 	C5H13N2O4P	196.061293	NA	MeJP	NA	NA
+MJ006572	1-Phenazinol 	C12H8N2O	196.063662	NA	MeJP	NA	NA
+MJ006573	2-Phenazinol 	C12H8N2O	196.063662	NA	MeJP	NA	NA
+MJ006574	?-Carboline-1-carboxaldehyde 	C12H8N2O	196.063662	NA	MeJP	NA	NA
+MetaCyc01784	pyocyanine-reduced [pyocyanine-red;]	C12H8N2O1	196.063663	528-71-2	metacyc	NA	NA
+MJ006575	4'-Ethynyl-2-fluoro-1,1'-biphenyl 	C14H9F	196.068828	NA	MeJP	NA	NA
+MJ006576	4,8-Diazido-2,6-dioxabicyclo[3.3.0]octane 	C6H8N6O2	196.070873	NA	MeJP	NA	NA
+MJ006577	1-(2,4,6-Trihydroxyphenyl)-1-butanone 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006578	1-(3,4-Dihydroxyphenyl)-1,2-propanediol; 3',4'-Methylene ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006579	1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3'-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006580	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; Et ester 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006581	2',4',6'-Trihydroxy-3'-methylacetophenone; 2'-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006582	2',4',6'-Trihydroxy-3'-methylacetophenone; 4'-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006583	2',4',6'-Trihydroxy-3'-methylacetophenone; 6'-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006584	2',4',6'-Trihydroxyacetophenone; 2',4'-Di-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006585	2',4',6'-Trihydroxyacetophenone; 2',6'-Di-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006586	2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone; Di-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006587	2,4,5-Trihydroxybenzaldehyde; 2,4,5-Tri-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006588	2,4-Dihydroxy-3,5,6-trimethylbenzoic acid 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006589	2,4-Dihydroxy-3,6-dimethylbenzoic acid; 4-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006590	2,4-Dihydroxy-3,6-dimethylbenzoic acid; Me ester 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006591	2,4-Dihydroxy-6-hydroxymethylbenzaldehyde; 1',2-Di-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006592	2,4-Dihydroxy-6-methylbenzoic acid; 4-Me ether, Me ester 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006593	2,4-Dihydroxy-6-methylbenzoic acid; Et ester 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006594	2,4-Dihydroxy-6-propylbenzoic acid 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006595	2,5-Dihydroxy-3,6-dimethyl-1,4-benzoquinone; 2,5-Di-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006596	2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3',4'-Methylene ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006597	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006598	3',4',5'-Trihydroxyacetophenone; 3',5'-Di-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006599	3,4,5-Trihydroxybenzaldehyde; Tri-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006600	3,5-Dimethoxybenzoic acid; Me ester 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006601	3,6-Dihydroxy-p-mentha-3,6-diene-2,5-dione 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006602	3-(3,4-Dihydroxyphenyl)propanoic acid; 3-Me ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006603	3-(3,4-Methylenedioxyphenyl)-1,2-propanediol 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006604	4,9-Dioxo-2,7-decadienoic acid 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006605	4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006606	5-Methyl-1,2,3,4-benzenetetrol; 1,4-Di-Me, 2,3-methylene ether 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006607	Amagnalactone 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006608	Batatic acid 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006609	Cantharidin 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006610	Chilenone A 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006611	Cladobotrin V 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006612	Clivonecic acid 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006613	Curvulol 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006614	Decarestrictine A1; 3-Ketone 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006615	Epoxyconiferyl alcohol 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006616	Gelsemide; 7-Deoxy 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006617	Gelsemide; 9-Deoxy 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006618	Hallerone 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006619	Naucledal 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006620	Paeonilactone A; 7,9-Didehydro 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006621	Pestalopyrone; 3'-Hydroxy 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006622	Phomalactone; Ac 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006623	Pyrenolide B; 8-Hydroxy 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006624	Ramulosin; 4?-Hydroxy, 6,7-didehydro 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006625	Ramulosin; 4?-Hydroxy, 6,7-didehydro 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006626	Telephinone a 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MJ006627	2,3-Dihydroxy-p-cumate 	C10H12O4	196.073558	NA	MeJP	NA	NA
+MetaCyc01785	2,3-dihydroxy-p-cumate [4-isopropyl-o-pyrocatechuic acid;2,3-dihydroxy-4-(1-methylethyl)-benzoic acid;]	C10H12O4	196.073559	19420-61-2	metacyc	NA	NA
+MetaCyc01786	5-hydroxy-coniferyl-alcohol []	C10H12O4	196.073559	NA	metacyc	NA	NA
+MetaCyc01787	phlorisobutyrophenone []	C10H12O4	196.073559	NA	metacyc	NA	NA
+HMDB00434	Homoveratric acid	C10H12O4	196.07356	http://www.hmdb.ca/metabolites/HMDB00434	HMDB	NA	NA
+HMDB00434	Homoveratric acid	C10H12O4	196.07356	HMDB00434	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00434	Homoveratric acid	C10H12O4	196.073563	NA	HMDB2010	NA	NA
+C06580	2,3-Dihydroxy-p-cumate	C10H12O4	196.0736	NA	KEGG	NA	NA
+C10664	Acetosyringone	C10H12O4	196.0736	NA	KEGG	NA	NA
+C10684	2',6'-Dimethoxy-4'-hydroxyacetophenone	C10H12O4	196.0736	NA	KEGG	NA	NA
+C10726	Xanthoxylin	C10H12O4	196.0736	NA	KEGG	NA	NA
+C12205	5-Hydroxyconiferyl alcohol	C10H12O4	196.0736	NA	KEGG	NA	NA
+C16778	Cantharidin	C10H12O4	196.0736	NA	KEGG	NA	NA
+C17455	Paeonilactone B	C10H12O4	196.0736	NA	KEGG	NA	NA
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	PFEM_hmdb_metabocards_urine	NA	urine
+JH126	Hydroferulic acid [M+H]+	C10H12O4	196.0754	12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH126	Hydroferulic acid [M+H]+	C10H12O4	196.0754	12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH126	Hydroferulic acid [M+H]+	C10H12O4	196.0754	12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	HMDB	NA	NA
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	Inhouse_PFEM	NA	NA
+JH126	Hydroferulic acid [M+H]+	C10H12O4	196.0754	12.75	Inhousejuil11	NA	NA
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	PFEM_hmdb_metabocards_blood	NA	blood
+JH126	Hydroferulic acid 	C10H12O4	196.0754	Rtobs12.75	PFEM_hmdb_metabocards_official	NA	NA
+C11738	m-Chlorophenylpiperazine	C10H13ClN2	196.0767	NA	KEGG	NA	NA
+C14746	Chlorphenamidine	C10H13ClN2	196.0767	NA	KEGG	NA	NA
+MJ006628	1-(2-Oxo-5-pyrrolidinyl)-5-hydroxy-3-methyl-3-pyrrolin-2-one 	C9H12N2O3	196.084792	NA	MeJP	NA	NA
+MJ006629	2-Amino-4,5-dihydroxybenzoic acid; N-Et, amide 	C9H12N2O3	196.084792	NA	MeJP	NA	NA
+MJ006630	5-Allyl-5-ethylbarbituric acid 	C9H12N2O3	196.084792	NA	MeJP	NA	NA
+C14763	trans-4-Hydroxystilbene	C14H12O	196.0888	NA	KEGG	NA	NA
+C16014	cis-Stilbene oxide	C14H12O	196.0888	NA	KEGG	NA	NA
+MJ006631	1-(4-Hydroxyphenyl)-2-phenylethylene 	C14H12O	196.088815	NA	MeJP	NA	NA
+MJ006632	7-Deoxy-D-glycero-D-manno-heptitol 	C7H16O6	196.094688	NA	MeJP	NA	NA
+MJ006633	1H-Imidazole-4,5-dicarboxamide; N1,4N,5N-Tri-Me 	C8H12N4O2	196.096025	NA	MeJP	NA	NA
+MJ006634	Bethanechol(1+), Chloride 	C7H17ClN2O2	196.097855	NA	MeJP	NA	NA
+MJ006635	1-Ethyl-?-carboline 	C13H12N2	196.100048	NA	MeJP	NA	NA
+MJ006636	1-Methyl-?-carboline; Nb-Me 	C13H13N2(+)	196.100048	NA	MeJP	NA	NA
+MJ006637	Manozodil 	C10H16N2S	196.103419	NA	MeJP	NA	NA
+MJ006638	1-(4-Hydroxyphenyl)-1,2-propanediol, 1-Et ether 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006639	2-(2-Butenylidene)-5-heptene-1,3,4-triol, 11-Aldehyde 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006640	2-Acetyl-4,4,6-trimethyl-1,3-cyclohexanedione 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006641	3-(1-Hexenyl)-5-(hydroxymethyl)-2(5H)-furanone 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006642	3-(1-Hexenyl)-5-hydroxy-5-methyl-2(5H)-furanone 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006643	3-Ethyl-1,8-dimethyl-2,9-dioxabicyclo[3.3.1]non-7-ene; 6-Oxo 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006644	3-Ethyl-4-hydroxy-6-(1-methylpropyl)-2H-pyran-2-one 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006645	4,7-Dihydroxy-3,7-dimethyl-2,8-nonadienoic acid, 1,4-Lactone 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006646	4-(3,4-Dihydroxyphenyl)-2-butanol, 3'-Me ether 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006647	4-Isopropyl-1,2,3-benzenetriol; 1,2-Di-Me ether 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006648	4-Isopropyl-7-oxo-5-octen-4-olide 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006649	7-Deoxypanepoxydol 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006650	Artselaenin A 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006651	Fucusic acid 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006652	Kobifuranone A 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006653	Kobifuranone B; 2-Deoxo, 5-oxo, 3,4-dihydro 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006654	Loliolide 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006655	Spiroxabovolide 	C11H16O3	196.109944	NA	MeJP	NA	NA
+MJ006656	Ulufuranol 	C11H16O3	196.109944	NA	MeJP	NA	NA
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR472	Thromboxane B2 F5	NA	196.111225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR472	Thromboxane B2 F5	NA	196.111225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR472	Thromboxane B2 F5	NA	196.111225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR472	Thromboxane B2 F5	NA	196.111225	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR472	Thromboxane B2 F5	F5	196.111225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7488	ACE inhibitor (fragment of bovine b-LG)	VFK	196.115	MH2+	Inhouse_peptide	NA	peptide
+MJ006657	1H-Imidazole-1-heptanoic acid 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006658	2-Amino-4-(4-amino-2,5-cyclohexadienyl)butanoic acid; (S)-trans-form 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006659	2-Isopropyl-3,5-dimethoxy-6-methylpyrazine 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006660	Amiclenomycin 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006661	Cyclo(prolylvalyl) 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006662	Fasoracetam 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006663	Loline; N-Ac 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006664	Loline; N-De-Me, N-propanoyl 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+MJ006665	N,N-Diethyl-3,5-dimethyl-4-isoxazolecarboxamide 	C10H16N2O2	196.121177	NA	MeJP	NA	NA
+C13311	Fasoracetam	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13312	Transferred to D01840	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13313	Transferred to D01841	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13314	Transferred to D01842	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13315	Transferred to D01843	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13316	Transferred to D01844	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13317	Transferred to D01845	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13318	Transferred to D01846	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13319	Transferred to D01847	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13320	Transferred to D01848	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13321	Transferred to D01849	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13322	Transferred to D01850	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13323	Transferred to D01851	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13324	Transferred to D01852	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C13325	Transferred to D01853	C10H16N2O2	196.1212	NA	KEGG	NA	NA
+C14581	1,3-Diphenylpropane	C15H16	196.1252	NA	KEGG	NA	NA
+MJ006666	1,7-Epidioxy-5-guaiene 	C15H16	196.1252	NA	MeJP	NA	NA
+MJ006667	8,10-Pentadecadiene-2,4,6-triyne 	C15H16	196.1252	NA	MeJP	NA	NA
+MJ006668	Lactarofulvene 	C15H16	196.1252	NA	MeJP	NA	NA
+MJ006669	Rolgamidine 	C9H16N4O	196.132411	NA	MeJP	NA	NA
+C17486	Coryneine	C11H18NO2	196.1338	NA	KEGG	NA	NA
+MJ006670	1,3,5-Triazine-2,4,6-triamine; N-Penta-Me 	C8H16N6	196.143644	NA	MeJP	NA	NA
+C08486	Ethyl(E,Z)-decadienoate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C09837	(1S,2R,4S)-(-)-Bornyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C09861	Geranyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C09863	Linalyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C11338	Bornyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C12300	alpha-Terpinyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C12301	beta-Terpinyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C12302	gamma-Terpinyl acetate	C12H20O2	196.1463	NA	KEGG	NA	NA
+C12306	Allyl cyclohexylpropionate	C12H20O2	196.1463	NA	KEGG	NA	NA
+MJ006671	1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006672	11-Methyl-3-undecenolide 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006673	12-Hydroxy-3-dodecenoic acid, Lactone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006674	12-Hydroxy-9-dodecenoic acid, Lactone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006675	2,4-Decadienoic acid, Et ester 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006676	2,4-Dodecadienoic acid 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006677	2-Cyclopentene-1-heptanoic acid 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006678	3,3,6-Trimethyl-1,5-heptadien-4-ol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006679	3,4,5-Trimethyl-5-pentyl-2(5H)-furanone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006680	3,4-Di-1-butenyltetrahydro-2-furanol 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006681	3,7-Dimethyl-1,6-octadien-3-ol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006682	3,7-Dimethyl-2,6-octadien-1-ol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006683	3-Heptyl-5-methyl-2(5H)-furanone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006684	3-Hexen-1-ol, 4-Hexenoyl(E-) 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006685	4-Hydroxy-11,12,13-trinor-7-eudesmanone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006686	4-Isopropyl-7-methyl-5,7-octadienoic acid 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006687	5-Methyl-3-(5-methylhexyl)-2(5H)-furanone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006688	6-Heptyl-5,6-dihydro-2H-pyran-2-one 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006689	7,9-Decadien-1-ol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006690	8-Dodecen-11-olide 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006691	9-Hydroxy-8-methyl-4,6-undecadien-3-one 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006692	?-Necrodol; ?4,5-Isomer, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006693	Campholenic alcohol; Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006694	Dihydro-5-(1-octenyl)-2(3H)-furanone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006695	Dihydro-5-(2-octenyl)-2(3H)-furanone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006696	Dodecahydro-4a-hydroxy-1(2H)-benzocyclooctenone 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006697	Phoracantholide M 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006698	Planococcol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006699	Santolina alcohol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006700	p-Menth-1-en-4-ol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+MJ006701	p-Menth-4(8)-en-2-ol, Ac 	C12H20O2	196.146329	NA	MeJP	NA	NA
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR525	12,13-EPOME F4	NA	196.148025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR525	12,13-EPOME F4	NA	196.148025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR525	12,13-EPOME F4	NA	196.148025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR525	12,13-EPOME F4	NA	196.148025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR525	12,13-EPOME F4	F4	196.148025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ006702	Spirgetine 	C10H20N4	196.168796	NA	MeJP	NA	NA
+MJ006703	12-Tridecen-2-one 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006704	2-Methylcyclododecanone 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006705	3-Tridecen-2-one 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006706	4,7-Tridecadien-1-ol 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006707	4-Tridecenal 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006708	5-Tridecenal 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006709	6-Tridecenal 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006710	7-Tridecenal 	C13H24O	196.182715	NA	MeJP	NA	NA
+MJ006711	1-Tetradecene 	C14H28	196.2191	NA	MeJP	NA	NA
+MJ006712	Cyclotetradecane 	C14H28	196.2191	NA	MeJP	NA	NA
+7923	synthetic peptide	THH	196.5815	MH2+	Inhouse_peptide	NA	peptide
+7541	ACE inhibitor from wheat germ hydrolysate	IVY	196.6075	MH2+	Inhouse_peptide	NA	peptide
+7749	ACE inhibitor from sea bream scales hydrolysate	VIY	196.6075	MH2+	Inhouse_peptide	NA	peptide
+8150	peptide derived from bovine kappa-casein (30-32)	YVL	196.6075	MH2+	Inhouse_peptide	NA	peptide
+8268	f(30-32) of bovine kappa casein	YVL	196.6075	MH2+	Inhouse_peptide	NA	peptide
+MJ006713	Tetraaquadichloromanganese(II) 	Cl2H8MnO4	196.918013	NA	MeJP	NA	NA
+MJ006714	1,3-Dichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione 	C3HCl2N3O3	196.939496	NA	MeJP	NA	NA
+HMDB04138	Gold	[Au]+	196.966568	NA	HMDB2010	NA	NA
+HMDB04138	Gold	Au	196.96657	http://www.hmdb.ca/metabolites/HMDB04138	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04138	Gold	Au	196.96657	http://www.hmdb.ca/metabolites/HMDB04138	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04138	Gold	Au	196.96657	http://www.hmdb.ca/metabolites/HMDB04138	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04138	Gold	Au	196.96657	http://www.hmdb.ca/metabolites/HMDB04138	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04138	Gold	Au	196.96657	http://www.hmdb.ca/metabolites/HMDB04138	HMDB	NA	NA
+HMDB04138	Gold	Au	196.96657	http://www.hmdb.ca/metabolites/HMDB04138	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04138	Gold	Au	196.96657	HMDB04138	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06905	Acylglycerone phosphate	C4H6O7P	196.98511	http://www.hmdb.ca/metabolites/HMDB06905	HMDB	NA	NA
+HMDB06905	Acylglycerone phosphate	C4H6O7P	196.98511	HMDB06905	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01788	2-oxopropyl-CoM [2-oxopropyl-CoM;]	C5H9O4S2	196.994225	NA	metacyc	NA	NA
+HMDB03966	Selenomethionine	C5H11NO2Se	196.995499	NA	HMDB2010	NA	NA
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	http://www.hmdb.ca/metabolites/HMDB03966	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	http://www.hmdb.ca/metabolites/HMDB03966	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	http://www.hmdb.ca/metabolites/HMDB03966	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	http://www.hmdb.ca/metabolites/HMDB03966	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	http://www.hmdb.ca/metabolites/HMDB03966	HMDB	NA	NA
+C05335	L-Selenomethionine	C5H11NO2Se	196.9955	NA	KEGG	NA	NA
+C05336	Selenomethionyl-tRNA(Met)	C20H30N6O11PSeR	196.9955	NA	KEGG	NA	NA
+MJ006715	Selenomethionine 	C5H11NO2Se	196.9955	NA	MeJP	NA	NA
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	http://www.hmdb.ca/metabolites/HMDB03966	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	HMDB03966	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03966	Selenomethionine	C5H11NO2Se	196.9955	NA  ;SYN:(+)-Pipecolic acid; (+)-Pipecolinic acid; (2R)-2-Piperidinecarboxylic acid; (2R)-piperidine-2-carboxylic acid; (R)-()-2-Piperidinecarboxylic acid; (R)-(+)-Pipecolic acid; (R)-2-Piperidinecarboxylic acid; (R)-Pipecolic acid; (R)-Pipecolinic acid; (R)-Piperidine-2-carboxylic acid; 6-Carboxypiperidine; D-(+)- Pipecolic acid; D-(+)-Pipecolic acid; D-Homoproline; D-Pipecolic acid; D-Pipecolinic acid; D-Piperidine-2-carboxylic acidH2Blood	Inhouse_peptide	NA	peptide
+EUR647	Selenomethionine [M+H]+	NA	196.999375	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR647	Selenomethionine [M+H]+	NA	196.999375	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR647	Selenomethionine [M+H]+	NA	196.999375	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR647	Selenomethionine [M+H]+	NA	196.999375	1.31	Inhousejuil11	NA	NA
+MJ006716	Antibiotic SF 2312 	C4H8NO6P	197.008923	NA	MeJP	NA	NA
+MJ006717	Marasmine; (R)C (S)S-form 	C5H11NO3S2	197.018034	NA	MeJP	NA	NA
+MJ006718	Phosphoguanidinoacetate 	C3H8N3O5P	197.020156	NA	MeJP	NA	NA
+HMDB03705	Phosphoguanidinoacetate	C3H8N3O5P	197.020157	NA	HMDB2010	NA	NA
+MetaCyc01789	guanidinoacetate-phosphate [guanidinoacetate-P;guanidoacetate phosphate;guanidoacetate-P;phosphoguanidoacetate;phosphoguanidinoacetate;]	C3H8N3O5P1	197.020157	NA	metacyc	NA	NA
+HMDB03705	Phosphoguanidinoacetate	C3H8N3O5P	197.02016	http://www.hmdb.ca/metabolites/HMDB03705	HMDB	NA	NA
+HMDB03705	Phosphoguanidinoacetate	C3H8N3O5P	197.02016	HMDB03705	PFEM_hmdb_metabocards_official	NA	NA
+C03166	Phosphoguanidinoacetate	C3H8N3O5P	197.0202	NA	KEGG	NA	NA
+C04604	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	C8H7NO5	197.0324	NA	KEGG	NA	NA
+C06661	Clavulanate-9-aldehyde	C8H7NO5	197.0324	NA	KEGG	NA	NA
+C15771	TRIBOA	C8H7NO5	197.0324	NA	KEGG	NA	NA
+MJ006719	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate 	C8H7NO5	197.032422	NA	MeJP	NA	NA
+MJ006720	Clavulanate-9-aldehyde 	C8H7NO5	197.032422	NA	MeJP	NA	NA
+MJ006721	(4-Hydroxy-3-nitrophenyl)acetic acid 	C8H7NO5	197.032422	NA	MeJP	NA	NA
+MetaCyc01790	TRIBOA [2,4,7-trihydroxy-2H-1,4-benzoxazin-3(4H)-one;]	C8H7N1O5	197.032422	NA	metacyc	NA	NA
+MetaCyc01791	3-hydroxy-2-methylpyridine-4,5-dicarboxylate []	C8H7N1O5	197.032422	NA	metacyc	NA	NA
+HMDB06955	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	C8H7NO5	197.032425	NA	HMDB2010	NA	NA
+MJ006722	N-(2-Sulfoethyl)alanine 	C5H11NO5S	197.035793	NA	MeJP	NA	NA
+MetaCyc01792	tauropine []	C5H11N1O5S1	197.035793	33497-79-9	metacyc	NA	NA
+C01616	Tauropine	C5H11NO5S	197.0358	NA	KEGG	NA	NA
+MJ006723	Nihydrazone 	C7H7N3O4	197.043655	NA	MeJP	NA	NA
+C16394	4-Amino-2,6-dinitrotoluene	C7H7N3O4	197.0437	NA	KEGG	NA	NA
+C16395	2-Amino-4,6-dinitrotoluene	C7H7N3O4	197.0437	NA	KEGG	NA	NA
+C13734	2-Amino-5-phosphopentanoic acid	C5H12NO5P	197.0453	NA	KEGG	NA	NA
+C17942	FR 900098	C5H12NO5P	197.0453	NA	KEGG	NA	NA
+MJ006724	2-Amino-5-phosphonopentanoic acid 	C5H12NO5P	197.045309	NA	MeJP	NA	NA
+MJ006725	4-Phosphonoisovaline 	C5H12NO5P	197.045309	NA	MeJP	NA	NA
+MJ006726	3H-Phenoxazin-3-one 	C12H7NO2	197.047678	NA	MeJP	NA	NA
+MJ006727	4-Hydroxyphenylthiocarbamic acid; OH-form, Et ester 	C9H11NO2S	197.051049	NA	MeJP	NA	NA
+MJ006728	Furaguanidine 	C6H7N5O3	197.054889	NA	MeJP	NA	NA
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	HMDB	NA	NA
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	Inhouse_PFEM	NA	NA
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC003	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0558	RT9.3	PFEM_hmdb_metabocards_official	NA	NA
+C04071	Guanidinoethyl methyl phosphate	C4H12N3O4P	197.0565	NA	KEGG	NA	NA
+C04072	Heparin-glucosamine 3-O-sulfate	C4H12N3O4P	197.0565	NA	KEGG	NA	NA
+C04073	Heparosan-N-sulfate L-iduronate	C4H12N3O4P	197.0565	NA	KEGG	NA	NA
+MJ006729	Creatinol; O-Phosphate 	C4H12N3O4P	197.056542	NA	MeJP	NA	NA
+MetaCyc01793	guanidinoethyl methyl phosphate [2-(hydroxy-methoxy-phosphinoyl)oxyethylaminoformamidine;]	C4H12N3O4P1	197.056542	NA	metacyc	NA	NA
+CJpos0515	?-hydroxyhippuric acid [(M+H)]+ (18O)	C9H10NO318O	197.056875	C18rt(min)=5.18 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0515	?-hydroxyhippuric acid [(M+H)]+ (18O)	C9H10NO318O	197.056875	C18rt(min)=5.18 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006730	Beclamide 	C10H12ClNO	197.060741	NA	MeJP	NA	NA
+CJneg0341	Gluconic acid (and isomers) [(M-H)]- (13C)	C513CH11O7	197.062225	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0341	Gluconic acid (and isomers) [(M-H)]- (13C)	C513CH11O7	197.062225	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0516	1,7-dimethyluric acid [(M+H)]+ (13C)	C613CH9N4O3	197.062475	C18rt(min)=4.96 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0517	1,3-dimethyluric acid [(M+H)]+ (13C)	C613CH9N4O3	197.062475	C18rt(min)=4.67 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0516	1,7-dimethyluric acid [(M+H)]+ (13C)	C613CH9N4O3	197.062475	C18rt(min)=4.96 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0517	1,3-dimethyluric acid [(M+H)]+ (13C)	C613CH9N4O3	197.062475	C18rt(min)=4.67 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0342	1,3-dimethyluric acid [(M-H)]- (13C)	C613CH7N4O3	197.063525	C18rt(min)=4.67 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0343	1,7-dimethyluric acid [(M-H)]- (13C)	C613CH7N4O3	197.063525	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0342	1,3-dimethyluric acid [(M-H)]- (13C)	C613CH7N4O3	197.063525	C18rt(min)=4.67 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0343	1,7-dimethyluric acid [(M-H)]- (13C)	C613CH7N4O3	197.063525	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00355	3,4-Dihydroxy-L-phenylalanine	C9H11NO4	197.0688	NA	KEGG	NA	NA
+C03004	N-Hydroxy-L-tyrosine	C9H11NO4	197.0688	NA	KEGG	NA	NA
+HMDB00609	DL-Dopa	C9H11NO4	197.0688	Polypeptides  ;SYN:Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2H2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	PFEM_hmdb_metabocards_urine	NA	urine
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	HMDB	NA	NA
+HMDB00181	L-Dopa	C9H11NO4	197.068802	NA	HMDB2010	NA	NA
+HMDB00609	DL-Dopa	C9H11NO4	197.068802	NA	HMDB2010	NA	NA
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	Inhouse_PFEM	NA	NA
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	PFEM_hmdb_metabocards_blood	NA	blood
+TEST014	Tyrosine : DOPA	C9H11NO4	197.068802	http://www.hmdb.ca/metabolites/HMDB00181	PFEM_hmdb_metabocards_official	NA	NA
+MJ006731	3,4-Dihydroxy-L-phenylalanine 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006732	N-Hydroxy-L-tyrosine 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006733	2-Amino-3-(2,3-dihydroxyphenyl)propanoic acid 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006734	2-Amino-3-(2,5-dihydroxyphenyl)propanoic acid 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006735	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006736	Dioxolide A 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006737	Forfenimex 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006738	N-Hydroxytyrosine 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MJ006739	Versimide 	C9H11NO4	197.068807	NA	MeJP	NA	NA
+MetaCyc01794	L-dopa []	C9H11N1O4	197.068808	NA	metacyc	NA	NA
+MetaCyc01795	N-hydroxy-L-tyrosine []	C9H11N1O4	197.068808	NA	metacyc	NA	NA
+MetaCyc01796	L-dopa [3,4-dihydroxy-L-phenylalanine;dihydroxyphenylalanine;L-dihydroxy-phenylalanine;]	C9H11N1O4	197.068808	59-92-7	metacyc	NA	NA
+HMDB00181	L-Dopa	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00181	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00181	L-Dopa	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00181	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00181	L-Dopa	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00181	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00181	L-Dopa	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00181	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00181	L-Dopa	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00181	HMDB	NA	NA
+HMDB00609	Dihydroxyphenylalanine	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00609	HMDB	NA	NA
+HMDB00181	L-Dopa	C9H11NO4	197.06882	http://www.hmdb.ca/metabolites/HMDB00181	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00181	L-Dopa	C9H11NO4	197.06882	HMDB00181	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00609	Dihydroxyphenylalanine	C9H11NO4	197.06882	HMDB00609	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0518	Citrulline isomers [(M+Na)]+	C6H13N3NaO3	197.077075	C18rt(min)=0.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0518	Citrulline isomers [(M+Na)]+	C6H13N3NaO3	197.077075	C18rt(min)=0.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH088	Citrulline (L-) [M+Na]+	NA	197.0777	1.22	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH088	Citrulline (L-) [M+Na]+	NA	197.0777	1.22	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH088	Citrulline (L-) [M+Na]+	NA	197.0777	1.22	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH088	Citrulline (L-) [M+Na]+	NA	197.0777	1.22	Inhousejuil11	NA	NA
+C02997	N-Acetyl-L-histidine	C8H11N3O3	197.08	NA	KEGG	NA	NA
+C02998	N-Acetylarylalkylamine	C2H4NOR	197.08	NA	KEGG	NA	NA
+C12245	Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate	C8H11N3O3	197.08	NA	KEGG	NA	NA
+MJ006740	Histidine, N?-Ac 	C8H11N3O3	197.080041	NA	MeJP	NA	NA
+MetaCyc01797	N-acetyl-L-histidine []	C8H11N3O3	197.080041	02/01/2497	metacyc	NA	NA
+MJ006741	1-Cinnamoyl-1H-pyrrole 	C13H11NO	197.084063	NA	MeJP	NA	NA
+MJ006742	1-Hydroxy-3-methyl-9H-carbazole 	C13H11NO	197.084063	NA	MeJP	NA	NA
+MJ006743	2-Hydroxy-3-methyl-9H-carbazole 	C13H11NO	197.084063	NA	MeJP	NA	NA
+MJ006744	2-Hydroxy-7-methyl-9H-carbazole 	C13H11NO	197.084063	NA	MeJP	NA	NA
+MJ006745	3-Hydroxy-6-methyl-9H-carbazole 	C13H11NO	197.084063	NA	MeJP	NA	NA
+MJ006746	Stizolamine 	C7H11N5O2	197.091274	NA	MeJP	NA	NA
+MJ006747	Mefenidil 	C12H11N3	197.095297	NA	MeJP	NA	NA
+C14416	3-Amino-1-methyl-5H-pyrido[4,3-b]indole	C12H11N3	197.0953	NA	KEGG	NA	NA
+MJ006748	Mofegiline 	C11H13F2N	197.101605	NA	MeJP	NA	NA
+HMDB04063	Metanephrine	C10H15NO3	197.10519	http://www.hmdb.ca/metabolites/HMDB04063	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04063	Metanephrine	C10H15NO3	197.10519	http://www.hmdb.ca/metabolites/HMDB04063	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04063	Metanephrine	C10H15NO3	197.10519	http://www.hmdb.ca/metabolites/HMDB04063	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04063	Metanephrine	C10H15NO3	197.10519	http://www.hmdb.ca/metabolites/HMDB04063	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04063	Metanephrine	C10H15NO3	197.10519	http://www.hmdb.ca/metabolites/HMDB04063	HMDB	NA	NA
+HMDB04063	Metanephrine	C10H15NO3	197.10519	http://www.hmdb.ca/metabolites/HMDB04063	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04063	Metanephrine	C10H15NO3	197.10519	HMDB04063	PFEM_hmdb_metabocards_official	NA	NA
+MJ006749	2-Amino-1-(2,5-dimethoxyphenyl)ethanol 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006750	2-Amino-1-(3,4-dihydroxyphenyl)-1-butanol 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006751	2-Amino-3-(2,3-dihydroxyphenyl)-1-propanol, 2'-Me ether 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006752	3,4,5-Trihydroxyphenethylamine; 3',5'-Di-Me ether 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006753	3-Hydroxy-4,5-dimethoxyphenethylamine 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006754	Adrenaline, N-Me 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006755	Dioxifedrine 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006756	Metanephrine 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006757	Tenuazonic acid 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+MJ006758	L-Metanephrine 	C10H15NO3	197.105193	NA	MeJP	NA	NA
+HMDB04063	Metanephrine	C10H15NO3	197.105194	NA	HMDB2010	NA	NA
+C05588	L-Metanephrine	C10H15NO3	197.1052	NA	KEGG	NA	NA
+C08511	Tenuazonic acid	C10H15NO3	197.1052	NA	KEGG	NA	NA
+MJ006759	Histidine trimethylbetaine 	C9H15N3O2	197.116426	NA	MeJP	NA	NA
+MJ006760	2-Pentylquinoline; 1',2'-Didehydro 	C14H15N	197.120449	NA	MeJP	NA	NA
+MJ006761	Noformicin 	C8H15N5O	197.12766	NA	MeJP	NA	NA
+MJ006762	Pildralazine 	C8H15N5O	197.12766	NA	MeJP	NA	NA
+MetaCyc01798	hydroxyatrazine [2-hydroxy-4-(ethylamino)-6-(isopropylamino)-s-triazine;hydroxydechloroatrazine;4-(ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine;]	C8H15N5O1	197.12766	NA	metacyc	NA	NA
+C06552	Hydroxyatrazine	C8H15N5O	197.1277	NA	KEGG	NA	NA
+MJ006763	2-(2-Hydroxypropyl)-1-methyl-5-(2-oxopropyl)pyrrolidine; 2'-Ketone 	C11H19NO2	197.141578	NA	MeJP	NA	NA
+MJ006764	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Propanoyl 	C11H19NO2	197.141578	NA	MeJP	NA	NA
+MJ006765	Centperazine 	C10H19N3O	197.152812	NA	MeJP	NA	NA
+MJ006766	2,5-Dialkylpyrrolidines; 2-Butyl-5-pentylpyrrolidine 	C13H27N	197.214349	NA	MeJP	NA	NA
+MJ006767	2,5-Dialkylpyrrolidines; 2-Ethyl-5-heptylpyrrolidine 	C13H27N	197.214349	NA	MeJP	NA	NA
+8220	antioxidative peptide	TFE	197.5785	MH2+	Inhouse_peptide	NA	peptide
+MJ006768	Calcium bromide (CaBr2) 	Br2Ca	197.799266	NA	MeJP	NA	NA
+C13189	Calcium bromide	CaBr2	197.7993	NA	KEGG	NA	NA
+C13190	Transferred to D01724	CaBr2	197.7993	NA	KEGG	NA	NA
+C13191	Transferred to D01725	CaBr2	197.7993	NA	KEGG	NA	NA
+MJ006769	Bis(cyano-C)argentate(1-); K salt 	C2AgKN2	197.874947	NA	MeJP	NA	NA
+MJ006770	Sodium iodate(V) (NaIO3) 	INaO3	197.878981	NA	MeJP	NA	NA
+MJ006771	3-Iodo-2-propenoic acid 	C3H3IO2	197.917772	NA	MeJP	NA	NA
+MJ006772	3-Bromotetrahydrothiophene, S,S-Dioxide 	C4H7BrO2S	197.935012	NA	MeJP	NA	NA
+MJ006773	2,4,5-Trichloro-2,5-cyclohexadiene-1-ol 	C6H5Cl3O	197.940597	NA	MeJP	NA	NA
+MetaCyc01799	2,4,5-trichloro-2,5-cyclohexadiene-1-diol [2,4,5-DNOL;]	C6H5O1CL3	197.940598	NA	metacyc	NA	NA
+C06598	2,4,5-Trichloro-2,5-cyclohexadiene-1-ol	C6H5Cl3O	197.9406	NA	KEGG	NA	NA
+C04309	Phosphoenol-4-deoxy-3-tetrulosonate	C4H7O7P	197.9929	NA	KEGG	NA	NA
+C04311	Protein L-isoaspartate methyl ester	C6H8N2O4R2	197.9929	NA	KEGG	NA	NA
+C04312	RNA terminal-2',3'-cyclic-phosphate	C10H16O12P2R2	197.9929	NA	KEGG	NA	NA
+C04313	beta-Substituted alpha-L-amino acid	C3H5NO2R2	197.9929	NA	KEGG	NA	NA
+HMDB11750	Dihydroxyacetone Phosphate Acyl Ester	C4H7O7P	197.992935	NA	HMDB2010	NA	NA
+C11497	2-Oxopropyl-CoM	C5H10O4S2	198.0021	NA	KEGG	NA	NA
+C03223	3,4-Dihydroxyphthalate	C8H6O6	198.0164	NA	KEGG	NA	NA
+C03233	4,5-Dihydroxyphthalate	C8H6O6	198.0164	NA	KEGG	NA	NA
+MJ006774	4,5-Dihydroxyphthalate 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006775	2,5-Dihydroxy-1,4-benzenedicarboxylic acid 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006776	2-Oxo-2-(2,4,5-trihydroxyphenyl)acetic acid 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006777	3,5-Dihydroxy-1,2-benzenedicarboxylic acid 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006778	4,5-Dihydroxy-1,2-benzenedicarboxylic acid 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006779	4,5-Dihydroxy-1,3-benzenedicarboxylic acid 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006780	4-Oxo-4H-pyran-2,6-dicarboxylic acid; Mono-Me ester 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MJ006781	Puberulic acid 	C8H6O6	198.016437	NA	MeJP	NA	NA
+MetaCyc01800	4,5-dihydroxyphthalate []	C8H6O6	198.016438	NA	metacyc	NA	NA
+MetaCyc01801	3,4-dihydroxyphthalate []	C8H6O6	198.016438	NA	metacyc	NA	NA
+MJ006782	Phosphonothrixin 	C5H11O6P	198.029324	NA	MeJP	NA	NA
+MJ006783	Naphtho[1,2-b]furan-4,5-dione 	C12H6O3	198.031694	NA	MeJP	NA	NA
+MJ006784	Naphtho[2,3-b]furan-4,9-dione 	C12H6O3	198.031694	NA	MeJP	NA	NA
+C16550	Dechloroethylcyclophosphamide	C5H12ClN2O2P	198.0325	NA	KEGG	NA	NA
+C16555	2-Dechloroethylifosfamide	C5H12ClN2O2P	198.0325	NA	KEGG	NA	NA
+C08042	Nitrofurazone	C6H6N4O4	198.0389	NA	KEGG	NA	NA
+C08043	Povidone-iodine	xI2	198.0389	NA	KEGG	NA	NA
+C08044	Transferred to D00864	xI2	198.0389	NA	KEGG	NA	NA
+C08045	Transferred to D00865	xI2	198.0389	NA	KEGG	NA	NA
+C11283	2,4-Dinitrophenylhydrazine	C6H6N4O4	198.0389	NA	KEGG	NA	NA
+MJ006785	5-Nitro-2-furancarboxaldehyde; Semicarbazone 	C6H6N4O4	198.038904	NA	MeJP	NA	NA
+MetaCyc01802	dinitrophenylhydrazine [2,4-dinitrophebylhydrazine;1-hydrazine-2,4-dinitrobenzene;2,4-dnph;hydrazine, (2,4-dinitrophenyl)-;]	C6H6N4O4	198.038905	NA	metacyc	NA	NA
+MJ006786	2-Chloro-3-(4-hydroxyphenyl)-2-propen-1-ol, 4'-Me ether 	C10H11ClO2	198.044757	NA	MeJP	NA	NA
+MJ006787	2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene 	C13H10S	198.050321	NA	MeJP	NA	NA
+MJ006788	2-(3-Buten-1-ynyl)-5-(1,3-pentadiynyl)thiophene; 3'',4''-Dihydro (E-) 	C13H10S	198.050321	NA	MeJP	NA	NA
+MJ006789	2-Phenyl-5-(1-propynyl)thiophene 	C13H10S	198.050321	NA	MeJP	NA	NA
+MJ006790	4-Methyldibenzothiophene 	C13H10S	198.050321	NA	MeJP	NA	NA
+C01207	3-(3,4-Dihydroxyphenyl)lactate	C9H10O5	198.0528	NA	KEGG	NA	NA
+C01209	Malonyl-[acyl-carrier protein]	C3H3O3SR	198.0528	NA	KEGG	NA	NA
+C05584	3-Methoxy-4-hydroxymandelate	C9H10O5	198.0528	NA	KEGG	NA	NA
+C10833	Syringic acid	C9H10O5	198.0528	NA	KEGG	NA	NA
+MJ006791	3-(3,4-Dihydroxyphenyl)lactate 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006792	3-Methoxy-4-hydroxymandelate 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006793	1,3-Dihydro-4-methyl-1,5,6,7-isobenzofurantetrol 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006794	2,3,5-Trihydroxy-1,4-benzoquinone; Tri-Me ether 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006795	2,4,5-Trihydroxybenzoic acid; 2-Et ether 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006796	3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006797	3,4,5-Trihydroxybenzoic acid; 3-Me ether, Me ester 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006798	3,4,5-Trihydroxybenzoic acid; 4-Et ether 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006799	3,4,5-Trihydroxybenzoic acid; Et ester 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006800	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MJ006801	Epoxydon, 1'-Ac 	C9H10O5	198.052823	NA	MeJP	NA	NA
+MetaCyc01803	vanillyl mandelate []	C9H10O5	198.052823	55-10-7	metacyc	NA	NA
+MetaCyc01804	R(-)-3,4-dihydroxyphenyllactate [R(-)-3,4-dihydroxyphenyllactic acid;]	C9H10O5	198.052823	NA	metacyc	NA	NA
+MetaCyc01805	R(+)-3,4-dihydroxyphenyllactate [R(+)-3,4-dihydroxyphenyllactic acid;]	C9H10O5	198.052823	NA	metacyc	NA	NA
+MetaCyc01806	3-(3,4-dihydroxyphenyl)lactate [3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid;]	C9H10O5	198.052823	NA	metacyc	NA	NA
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.052826	NA	HMDB2010	NA	NA
+HMDB02085	Syringic acid	C9H10O5	198.052826	NA	HMDB2010	NA	NA
+HMDB03503	3-(3,4-Dihydroxyphenyl)lactic acid	C9H10O5	198.052826	NA	HMDB2010	NA	NA
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB00291	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB00291	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03503	3-(3,4-Dihydroxyphenyl)lactic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB03503	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB00291	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB00291	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB00291	HMDB	NA	NA
+HMDB02085	Syringic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB02085	HMDB	NA	NA
+HMDB03503	3-(3,4-Dihydroxyphenyl)lactic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB03503	HMDB	NA	NA
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB00291	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03503	3-(3,4-Dihydroxyphenyl)lactic acid	C9H10O5	198.05283	http://www.hmdb.ca/metabolites/HMDB03503	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00291	Vanillylmandelic acid	C9H10O5	198.05283	HMDB00291	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02085	Syringic acid	C9H10O5	198.05283	HMDB02085	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03503	3-(3,4-Dihydroxyphenyl)lactic acid	C9H10O5	198.05283	HMDB03503	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0344	4-hydroxyphenylacetic acid [(M-H)+(HCOOH)]-	C9H9O5	198.053325	C18rt(min)=5.81 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0345	3-Hydroxyphenylacetic acid [(M-H)+(HCOOH)]-	C9H9O5	198.053325	C18rt(min)=6.06 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0344	4-hydroxyphenylacetic acid [(M-H)+(HCOOH)]-	C9H9O5	198.053325	C18rt(min)=5.81 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0345	3-Hydroxyphenylacetic acid [(M-H)+(HCOOH)]-	C9H9O5	198.053325	C18rt(min)=6.06 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	PFEM_hmdb_metabocards_urine	NA	urine
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	11.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	11.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	11.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	HMDB	NA	NA
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	Inhouse_PFEM	NA	NA
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	11.87	Inhousejuil11	NA	NA
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	PFEM_hmdb_metabocards_blood	NA	blood
+JH132	Syringic acid [M+H]+	C9H10O5	198.0538	Rtobs11.87	PFEM_hmdb_metabocards_official	NA	NA
+MJ006802	5-(2-Azetidinylmethoxy)-2-chloropyridine 	C9H11ClN2O	198.05599	NA	MeJP	NA	NA
+CJneg0346	Gluconic acid (and isomers) [(M-H)]- (18O)	C6H11O618O	198.063125	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0346	Gluconic acid (and isomers) [(M-H)]- (18O)	C6H11O618O	198.063125	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0519	1,7-dimethyluric acid [(M+H)]+ (18O)	C7H9N4O218O	198.063375	C18rt(min)=4.96 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0519	1,7-dimethyluric acid [(M+H)]+ (18O)	C7H9N4O218O	198.063375	C18rt(min)=4.96 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ006803	Clavaminic acid 	C8H10N2O4	198.064056	NA	MeJP	NA	NA
+MJ006804	Leucenine 	C8H10N2O4	198.064056	NA	MeJP	NA	NA
+MetaCyc01807	mimosine [L-mimosine;&beta;-(3-hydroxy-4-pyridon-1-yl)-L-alanine;3-(3,4-dihydroxypyridin-1-yl)-L-alanine;]	C8H10N2O4	198.064057	NA	metacyc	NA	NA
+MetaCyc01808	(S)-2-amino-3-(3-hydroxy-4-oxo-4h-pyridin-1-yl)propanoate []	C8H10N2O4	198.064057	NA	metacyc	NA	NA
+C04771	(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate	C8H10N2O4	198.0641	NA	KEGG	NA	NA
+C04772	1,6-alpha-D-Mannosyl-1,6-alpha-D-mannosyloligosaccharide	C18H31O16	198.0641	NA	KEGG	NA	NA
+C06660	Clavaminic acid	C8H10N2O4	198.0641	NA	KEGG	NA	NA
+CJneg0347	1,3-dimethyluric acid [(M-H)]- (18O)	C7H7N4O218O	198.064425	C18rt(min)=4.67 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0347	1,3-dimethyluric acid [(M-H)]- (18O)	C7H7N4O218O	198.064425	C18rt(min)=4.67 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006805	2-Chloro-6-(1-piperazinyl)pyrazine 	C8H11ClN4	198.067224	NA	MeJP	NA	NA
+MJ006806	1,3,5-Tridecatriene-7,9,11-triyne, 3,4:5,6-Diepoxide 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006807	1-Phenyl-2,4-hexadiyn-1-one; 2'-Methoxy 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006808	11-Tridecene-3,5,7,9-tetrayne-1,2-diol 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006809	3,5,7,8-Tridecatetraene-10,12-diynoic acid 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006810	3,6-Dihydro-6-(2,4,6-octatriynylidene)-2H-pyran-3-ol 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006811	3-Tridecene-5,7,9,11-tetrayne-1,2-diol 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006812	3-[5-(2,4-Hexadiynyl)-2-furanyl]-2-propenal 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006813	4-Hydroxybenzophenone 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006814	6-(2-Phenylethenyl)-2H-pyran-2-one 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006815	Atractylodin; 9'-Hydroxy 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006816	Capillarin 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006817	Mycosinol; 4-Deoxy (7E-) 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006818	Mycosinol; 4-Deoxy (7Z-) 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006819	1,2-Dihydroxyfluorene 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MJ006820	3,4-Dihydroxyfluorene 	C13H10O2	198.068079	NA	MeJP	NA	NA
+MetaCyc01809	3,4-dihydroxyfluorene []	C13H10O2	198.06808	NA	metacyc	NA	NA
+MetaCyc01810	1,2-dihydroxyfluorene []	C13H10O2	198.06808	NA	metacyc	NA	NA
+C07717	3,4-Dihydroxyfluorene	C13H10O2	198.0681	NA	KEGG	NA	NA
+C07724	1,2-Dihydroxyfluorene	C13H10O2	198.0681	NA	KEGG	NA	NA
+C08447	Dehydrosafynol	C13H10O2	198.0681	NA	KEGG	NA	NA
+C14230	4-Hydroxybenzophenone	C13H10O2	198.0681	NA	KEGG	NA	NA
+C16926	Capillarin	C13H10O2	198.0681	NA	KEGG	NA	NA
+HMDB04400	5-Acetylamino-6-amino-3-methyluracil	C7H10N4O3	198.075287	NA	HMDB2010	NA	NA
+HMDB04400	5-Acetylamino-6-amino-3-methyluracil	C7H10N4O3	198.07529	http://www.hmdb.ca/metabolites/HMDB04400	HMDB	NA	NA
+HMDB04400	5-Acetylamino-6-amino-3-methyluracil	C7H10N4O3	198.07529	HMDB04400	PFEM_hmdb_metabocards_official	NA	NA
+C16366	5-Acetylamino-6-amino-3-methyluracil	C7H10N4O3	198.0753	NA	KEGG	NA	NA
+CJpos0520	Serotonin [(M+Na)]+	C10H12N2NaO	198.076375	C18rt(min)=4.15 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0521	Cotinine [(M+Na)]+	C10H12N2NaO	198.076375	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0520	Serotonin [(M+Na)]+	C10H12N2NaO	198.076375	C18rt(min)=4.15 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0521	Cotinine [(M+Na)]+	C10H12N2NaO	198.076375	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C06537	Harmalol	C12H10N2O	198.0793	NA	KEGG	NA	NA
+C14742	N-Nitrosodiphenylamine	C12H10N2O	198.0793	NA	KEGG	NA	NA
+C15042	4-(2-Pyrazinylethenyl)phenol	C12H10N2O	198.0793	NA	KEGG	NA	NA
+MJ006821	1-Hydroxymethyl-?-carboline 	C12H10N2O	198.079312	NA	MeJP	NA	NA
+MJ006822	1-Methyl-?-carboline; N-Oxide 	C12H10N2O	198.079312	NA	MeJP	NA	NA
+MJ006823	6-Hydroxy-1-methyl-?-carboline 	C12H10N2O	198.079312	NA	MeJP	NA	NA
+MJ006824	7-Hydroxy-1-methyl-?-carboline 	C12H10N2O	198.079312	NA	MeJP	NA	NA
+MJ006825	7-Methoxy-1-methyl-?-carboline; 1-De-Me 	C12H10N2O	198.079312	NA	MeJP	NA	NA
+MJ006826	Pimprinine 	C12H10N2O	198.079312	NA	MeJP	NA	NA
+HMDB04998	Guaifenesin	C10H14O4	198.0892	http://www.hmdb.ca/metabolites/HMDB04998	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04998	Guaifenesin	C10H14O4	198.0892	http://www.hmdb.ca/metabolites/HMDB04998	HMDB	NA	NA
+C06579	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate	C10H14O4	198.0892	NA	KEGG	NA	NA
+C09853	1,2-Dihydroxymint lactone	C10H14O4	198.0892	NA	KEGG	NA	NA
+C16644	1-(3,4-Dimethoxyphenyl)ethane-1,2-diol	C10H14O4	198.0892	NA	KEGG	NA	NA
+C17454	Paeonilactone A	C10H14O4	198.0892	NA	KEGG	NA	NA
+HMDB04998	Guaifenesin	C10H14O4	198.0892	http://www.hmdb.ca/metabolites/HMDB04998	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04998	Guaifenesin	C10H14O4	198.0892	HMDB04998	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04998	Guaifenesin	C10H14O4	198.089203	NA	HMDB2010	NA	NA
+MJ006827	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006828	(4-Hydroxycyclohexylidene)acetic acid, Ac 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006829	1,2-Dihydroxy-p-menth-4(8)-en-9,3-olide 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006830	1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 5'-Me ether 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006831	2,3-Dimethoxy-5,6-dimethyl-2-cyclohexene-1,4-dione 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006832	2,7-Dimethyl-2,4-octadienedioic acid 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006833	2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3'-Me ether 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006834	2-(3,5-Dimethoxyphenoxy)ethanol 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006835	2-Butanoyl-3,5-dihydroxy-2-cyclohexen-1-one 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006836	3,6-Dimethyl-1,2,4,5-benzenetetrol; 1,4-Di-Me ether 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006837	3,8-Epidioxy-1,2-epoxy-p-menth-4-en-3-ol 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006838	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006839	3-(3,4-Dihydroxyphenyl)-1,2-propanediol, 3'-Me ether 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006840	4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006841	4,6-Decadiyne-1,3,8,10-tetrol 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006842	4,6-Dimethyl-1,2,3,5-benzenetetrol; 1,3-Di-Me ether 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006843	5-(1-Hydroxybutyl)-6-hydroxymethyl-2H-pyran-2-one 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006844	Cephalosporolide B 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006845	Cephalosporolide E 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006846	Chrysanthemumdicarboxylic acid 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006847	Decarestrictine A1 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006848	Decarestrictine D; 3-Deoxy, 7-ketone 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006849	Decarestrictine H 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006850	Decarestrictine I 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006851	Decarestrictine K 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006852	Gardendiol 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006853	Guaifenesin 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006854	Lissoketal 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006855	Norsantolinifolide A 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006856	Paeonilactone A 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006857	Paeonimetabolin I 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006858	Paeonisuffrone 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006859	Ramulosin; 4?-Hydroxy 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MJ006860	Ramulosin; 6?-Hydroxy 	C10H14O4	198.089208	NA	MeJP	NA	NA
+MetaCyc01811	1-(3,4-dimethoxylphenyl)ethane-1,2-diol []	C10H14O4	198.089209	NA	metacyc	NA	NA
+MetaCyc01812	cis-2,3-dihydroxy-2,3-dihydro-p-cumate []	C10H14O4	198.089209	NA	metacyc	NA	NA
+C11799	SK&F 91581	C8H14N4S	198.0939	NA	KEGG	NA	NA
+3768	dipeptidyl carboxypeptidase inhibitor	PPSP	198.094	MH2+	Inhouse_peptide	NA	peptide
+3778	dipeptidyl carboxypeptidase inhibitor	PPPS	198.094	MH2+	Inhouse_peptide	NA	peptide
+7998	synthetic peptide	LHQ	198.1	MH2+	Inhouse_peptide	NA	peptide
+MJ006861	Metharbital 	C9H14N2O3	198.100442	NA	MeJP	NA	NA
+MJ006862	Pedatisectine D 	C9H14N2O3	198.100442	NA	MeJP	NA	NA
+MJ006863	Probarbital 	C9H14N2O3	198.100442	NA	MeJP	NA	NA
+MJ006864	13-Nor-1,3,5,7,9-guaiapentaen-11-one 	C14H14O	198.104465	NA	MeJP	NA	NA
+MJ006865	4,6,12-Tetradecatriene-8,10-diyn-1-ol, Aldehyde 	C14H14O	198.104465	NA	MeJP	NA	NA
+MJ006866	4,6-Tetradecadiene-8,10,12-triyn-1-ol 	C14H14O	198.104465	NA	MeJP	NA	NA
+MJ006867	6-Tetradecene-8,10,12-triyn-3-one 	C14H14O	198.104465	NA	MeJP	NA	NA
+C14340	4-(2-Phenylethyl)phenol	C14H14O	198.1045	NA	KEGG	NA	NA
+3410	ACE inhibitor	ALPP	198.1125	MH2+	Inhouse_peptide	NA	peptide
+7668	ACE inhibitor from k-CN (95-98)	AIPP	198.1125	MH2+	Inhouse_peptide	NA	peptide
+MJ006868	9-Amino-1,2,3,4-tetrahydroacridine 	C13H14N2	198.115698	NA	MeJP	NA	NA
+MJ006869	?-Phenyl-2-pyridineethanamine 	C13H14N2	198.115698	NA	MeJP	NA	NA
+C01453	Tacrine	C13H14N2	198.1157	NA	KEGG	NA	NA
+C14288	4,4'-Methylenedianiline	C13H14N2	198.1157	NA	KEGG	NA	NA
+C15141	N-(Phenylmethyl)-N-methyl-2-pyridinamine	C13H14N2	198.1157	NA	KEGG	NA	NA
+7994	synthetic peptide	LHK	198.118	MH2+	Inhouse_peptide	NA	peptide
+MJ006870	Hercynine 	C9H16N3O2	198.124251	NA	MeJP	NA	NA
+MetaCyc01813	n(&alpha;),n(&alpha;),n(&alpha;)-trimethyl-L-histidine [Hercynine;]	C9H16N3O2	198.124252	NA	metacyc	NA	NA
+C05575	Hercynine	C9H16N3O2	198.1243	NA	KEGG	NA	NA
+MJ006871	1,3-Dihydroxy-4-methyl-6,8-decadien-5-one 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006872	2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid, Me ester 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006873	2-(2-Butenylidene)-5-heptene-1,3,4-triol 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006874	3,7-Dimethyl-4,7-epoxy-8-nonenoic acid 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006875	4-Hydroxy-2-methoxy-p-menth-1-en-3-one 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006876	4-Methyl-?-oxo-cyclohexanebutanoic acid 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006877	5-(2-Furanyl)-1-pentanol; (2-Hydroxyethyl) ether 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006878	5-Hydroxy-3,4-dimethyl-5-pentyl-2(5H)-furanone 	C11H18O3	198.125594	NA	MeJP	NA	NA
+MJ006879	Aeginetolide 	C11H18O3	198.125594	NA	MeJP	NA	NA
+C06185	Slaframine	C10H18N2O2	198.1368	NA	KEGG	NA	NA
+MJ006880	3,6-Diisopropyl-2,5-piperazinedione 	C10H18N2O2	198.136827	NA	MeJP	NA	NA
+MJ006881	Slaframine 	C10H18N2O2	198.136827	NA	MeJP	NA	NA
+MJ006882	1,3,6,9,12-Pentadecapentaen-14-yne 	C15H18	198.14085	NA	MeJP	NA	NA
+MJ006883	1-Isopropyl-4,6-dimethylnaphthalene 	C15H18	198.14085	NA	MeJP	NA	NA
+MJ006884	2,8,10-Pentadecatriene-4,6-diyne 	C15H18	198.14085	NA	MeJP	NA	NA
+MJ006885	2-Isopropyl-4,8-dimethylazulene 	C15H18	198.14085	NA	MeJP	NA	NA
+MJ006886	4-Isopropyl-1,6-dimethylnaphthalene 	C15H18	198.14085	NA	MeJP	NA	NA
+MJ006887	7-Isopropyl-1,4-dimethylazulene 	C15H18	198.14085	NA	MeJP	NA	NA
+MJ006888	7-Isopropyl-2,4-dimethylazulene 	C15H18	198.14085	NA	MeJP	NA	NA
+C09675	Guaiazulene	C15H18	198.1409	NA	KEGG	NA	NA
+MJ006889	Amidinomycin 	C9H18N4O	198.148061	NA	MeJP	NA	NA
+MJ006890	11,12,13-Trinor-2,6-farnesadiene-1,10-diol 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006891	11-Hydroxy-5-dodecen-2-one 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006892	2,2,8-Trimethyl-1,7-dioxaspiro[5.5]undecane 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006893	2,4,8-Trimethyl-1,7-dioxaspiro[5.5]undecane 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006894	2,4-Dimethyl-2-pentenoic acid, (S)-1-Methylbutyl ester 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006895	2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006896	2-Propyl-1,7-dioxaspiro[5.5]undecane 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006897	3,4-Epoxy-2-dodecanone 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006898	3,7-Dimethyl-6-octen-1-ol, Ac 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006899	3-Dodecenoic acid 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006900	3-Hexen-1-ol, Hexanoyl 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006901	3-Oxododecanal 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006902	4-Dodecenoic acid 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006903	5-Decen-1-ol, Ac 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006904	5-Isopropyl-3-nonene-2,8-diol, 8-Ketone 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006905	6-Heptyltetrahydro-2H-pyran-2-one 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006906	7-Decen-1-ol, Ac 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006907	7-Dodecenoic acid 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006908	7-Methyl-6-nonen-3-ol, Ac 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006909	9-Dodecenoic acid 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006910	Chokol A 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006911	Cybullol 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006912	Dihydro-5-octyl-2(3H)-furanone 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006913	Hexanoic acid; (E)-2-Hexenyl ester 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MJ006914	Invictolide 	C12H22O2	198.161979	NA	MeJP	NA	NA
+MetaCyc01814	l-menthyl acetate []	C12H22O2	198.16198	NA	metacyc	NA	NA
+HMDB00529	5-Dodecenoic acid	C12H22O2	198.161987	NA	HMDB2010	NA	NA
+HMDB10729	trans-Dodec-2-enoic acid	C12H22O2	198.161987	NA	HMDB2010	NA	NA
+HMDB00529	5-Dodecenoic acid	C12H22O2	198.16199	http://www.hmdb.ca/metabolites/HMDB00529	HMDB	NA	NA
+HMDB00529	5-Dodecenoic acid	C12H22O2	198.16199	HMDB00529	PFEM_hmdb_metabocards_official	NA	NA
+C09870	(-)-Menthyl acetate	C12H22O2	198.162	NA	KEGG	NA	NA
+C12298	Citronellyl acetate	C12H22O2	198.162	NA	KEGG	NA	NA
+C16825	Neomenthyl acetate	C12H22O2	198.162	NA	KEGG	NA	NA
+C16947	Decanoyl acetaldehyde	C12H22O2	198.162	NA	KEGG	NA	NA
+C07036	Guanethidine	C10H22N4	198.1844	NA	KEGG	NA	NA
+MJ006915	(4-Aminobutyl)guanidine; N6-(3-Methyl-2-butenyl) 	C10H22N4	198.184446	NA	MeJP	NA	NA
+MJ006916	Guanethidine 	C10H22N4	198.184446	NA	MeJP	NA	NA
+MJ006917	N-(4-Aminobutyl)-N'-(3-methyl-2-butenyl)guanidine 	C10H22N4	198.184446	NA	MeJP	NA	NA
+MJ006918	Spherophysine 	C10H22N4	198.184446	NA	MeJP	NA	NA
+MetaCyc01815	N-prenylagmatine []	C10H22N4	198.184447	NA	metacyc	NA	NA
+MJ006919	12-Tridecen-2-ol 	C13H26O	198.198365	NA	MeJP	NA	NA
+MJ006920	2-Tridecanone 	C13H26O	198.198365	NA	MeJP	NA	NA
+MJ006921	4-Tridecen-1-ol 	C13H26O	198.198365	NA	MeJP	NA	NA
+MJ006922	6-Tridecen-2-ol 	C13H26O	198.198365	NA	MeJP	NA	NA
+MJ006923	Tridecanal 	C13H26O	198.198365	NA	MeJP	NA	NA
+MJ006924	2,4-Dimethyldodecane 	C14H30	198.23475	NA	MeJP	NA	NA
+MJ006925	Tetradecane 	C14H30	198.234751	NA	MeJP	NA	NA
+7990	synthetic peptide	LHE	198.592	MH2+	Inhouse_peptide	NA	peptide
+HMDB06317	trans-Hexadec-2-enoyl carnitine	C23H43NO4	198.659607	MH2+	Inhouse_peptide	NA	peptide
+MJ006926	2-Bromo-2-nitro-1,3-propanediol 	C3H6BrNO4	198.94802	NA	MeJP	NA	NA
+MJ006927	Oxophenarsine 	C6H6AsNO2	198.961449	NA	MeJP	NA	NA
+MJ006928	2,6-Pyridinedicarbothioic acid 	C7H5NO2S2	198.976169	NA	MeJP	NA	NA
+MJ006929	(Iodomethyl)trimethylammonium(1+) 	C4H11IN(+)	198.985792	NA	MeJP	NA	NA
+MJ006930	S-Sulfo-L-cysteine 	C4H9NO4S2	198.997299	NA	MeJP	NA	NA
+EUR649	Selenomethionine [M+H]+	NA	198.998175	1.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR649	Selenomethionine [M+H]+	NA	198.998175	1.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR649	Selenomethionine [M+H]+	NA	198.998175	1.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR649	Selenomethionine [M+H]+	NA	198.998175	1.31	Inhousejuil11	NA	NA
+HMDB06859	1-Acyl-sn-glycerol 3-phosphate	C4H8O7P	199.00076	http://www.hmdb.ca/metabolites/HMDB06859	HMDB	NA	NA
+HMDB06859	1-Acyl-sn-glycerol 3-phosphate	C4H8O7P	199.00076	HMDB06859	PFEM_hmdb_metabocards_official	NA	NA
+MJ006931	6-Methoxy-2(3H)-benzoxazolone; 5-Chloro 	C8H6ClNO3	199.00362	NA	MeJP	NA	NA
+MetaCyc01816	2-(S)-hydroxypropyl-CoM []	C5H11O4S2	199.009875	NA	metacyc	NA	NA
+MetaCyc01817	2-(R)-hydroxypropyl-CoM []	C5H11O4S2	199.009875	NA	metacyc	NA	NA
+HMDB03484	O-Phosphohomoserine	C4H10NO6P	199.024567	NA	HMDB2010	NA	NA
+HMDB11185	O-Phosphothreonine	C4H10NO6P	199.024567	NA	HMDB2010	NA	NA
+HMDB03484	O-Phosphohomoserine	C4H10NO6P	199.02457	http://www.hmdb.ca/metabolites/HMDB03484	HMDB	NA	NA
+HMDB03484	O-Phosphohomoserine	C4H10NO6P	199.02457	HMDB03484	PFEM_hmdb_metabocards_official	NA	NA
+MJ006932	2-Amino-4-hydroxybutanoic acid, O-Phosphate 	C4H10NO6P	199.024573	NA	MeJP	NA	NA
+MJ006933	O-Phospho-L-homoserine 	C4H10NO6P	199.024573	NA	MeJP	NA	NA
+MetaCyc01818	L-threonine O-3-phosphate []	C4H10N1O6P1	199.024574	NA	metacyc	NA	NA
+MetaCyc01819	phosphothreonine [O-phospho-L-threonine;]	C4H10N1O6P1	199.024574	1114-81-4	metacyc	NA	NA
+MetaCyc01820	O-phospho-L-homoserine [o-phosphohomoserine;]	C4H10N1O6P1	199.024574	NA	metacyc	NA	NA
+C01102	O-Phospho-L-homoserine	C4H10NO6P	199.0246	NA	KEGG	NA	NA
+C05702	O-Phosphorylhomoserine	C4H10NO6P	199.0246	NA	KEGG	NA	NA
+C12147	L-Threonine O-3-phosphate	C4H10NO6P	199.0246	NA	KEGG	NA	NA
+C12215	Iminoerythrose 4-phosphate	C4H10NO6P	199.0246	NA	KEGG	NA	NA
+MJ006934	2-Amino-3-(4-chlorophenyl)propanoic acid 	C9H10ClNO2	199.040006	NA	MeJP	NA	NA
+MetaCyc01821	p-chlorophenylalanine []	C9H10N1O2CL1	199.040006	1991-78-2	metacyc	NA	NA
+C04078	Methylmethionine sulfonium salt	C6H14NO2S	199.0434	NA	KEGG	NA	NA
+MJ006935	Phenothiazine 	C12H9NS	199.045569	NA	MeJP	NA	NA
+CJneg0348	Hydroxyproline [(M-H)+(HCOONa)]-	C6H9NNaO5	199.046225	C18rt(min)=0.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0348	Hydroxyproline [(M-H)+(HCOONa)]-	C6H9NNaO5	199.046225	C18rt(min)=0.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006936	Clavulanic acid 	C8H9NO5	199.048072	NA	MeJP	NA	NA
+MJ006937	2-Amino-3-(5-carboxy-3-furanyl)propanoic acid 	C8H9NO5	199.048072	NA	MeJP	NA	NA
+MJ006938	?-Amino-3,4,5-trihydroxybenzeneacetic acid 	C8H9NO5	199.048072	NA	MeJP	NA	NA
+MJ006939	Clavulanic acid 	C8H9NO5	199.048072	NA	MeJP	NA	NA
+MJ006940	?-Amino-4-carboxy-3-furanpropanoic acid 	C8H9NO5	199.048072	NA	MeJP	NA	NA
+C06662	Clavulanic acid	C8H9NO5	199.0481	NA	KEGG	NA	NA
+C06663	Olivanic acid	C9H10NO4SR	199.0481	NA	KEGG	NA	NA
+C11833	Isoclavulanic acid	C8H9NO5	199.0481	NA	KEGG	NA	NA
+MJ006941	Lazabemide 	C8H10ClN3O	199.051239	NA	MeJP	NA	NA
+MJ006942	2-Aminoethanesulfonic acid; N-(2,3-Dihydroxypropyl) 	C5H13NO5S	199.051443	NA	MeJP	NA	NA
+C03584	3-(Uracil-1-yl)-L-alanine	C7H9N3O4	199.0593	NA	KEGG	NA	NA
+C08289	Isowillardiine	C7H9N3O4	199.0593	NA	KEGG	NA	NA
+C15178	5-Nitro-2-furancarboxaldehyde (2-hydroxyethyl)hydrazone	C7H9N3O4	199.0593	NA	KEGG	NA	NA
+C16402	2,4-Dihydroxylamino-6-nitrotoluene	C7H9N3O4	199.0593	NA	KEGG	NA	NA
+C16414	2-Amino-5-hydroxyl-4-hydroxylamino-6-nitrotoluene	C7H9N3O4	199.0593	NA	KEGG	NA	NA
+MJ006943	Isowillardiine 	C7H9N3O4	199.059305	NA	MeJP	NA	NA
+MJ006944	Willardiine 	C7H9N3O4	199.059305	NA	MeJP	NA	NA
+MetaCyc01822	3-(uracil-1-yl)-L-alanine []	C7H9N3O4	199.059306	NA	metacyc	NA	NA
+MetaCyc01823	isowillardiine [3-(uracil-3-yl)-L-alanine;&beta;-uracil-3-ylalanine;]	C7H9N3O4	199.059306	NA	metacyc	NA	NA
+MetaCyc01824	willardiine [3-(uracil-1-yl)-L-serine;&beta;-uracil-1-ylalanine;]	C7H9N3O4	199.059306	NA	metacyc	NA	NA
+C10660	Dictamnine	C12H9NO2	199.0633	NA	KEGG	NA	NA
+C10697	Isodictamnine	C12H9NO2	199.0633	NA	KEGG	NA	NA
+MJ006945	4-Methoxyfuro[2,3-b]quinoline 	C12H9NO2	199.063328	NA	MeJP	NA	NA
+MJ006946	Isodictamnine 	C12H9NO2	199.063328	NA	MeJP	NA	NA
+MetaCyc01825	3-(3,4-dihydroxypyridin-1-yl)-L-alanine []	C8H11N2O4	199.071882	NA	metacyc	NA	NA
+C04446	3-(3,4-Dihydroxypyridin-1-yl)-L-alanine	C8H11N2O4	199.0719	NA	KEGG	NA	NA
+MJ006947	Toldimfos 	C9H14NO2P	199.076215	NA	MeJP	NA	NA
+MJ006948	Anticapsin 	C9H13NO4	199.084457	NA	MeJP	NA	NA
+MJ006949	Fulvanine A; 6'-Deoxy 	C9H13NO4	199.084457	NA	MeJP	NA	NA
+8066	synthetic peptide	RHS	199.0955	MH2+	Inhouse_peptide	NA	peptide
+MJ006950	N-(2-Cyanoethyl)glutamine 	C8H13N3O3	199.095691	NA	MeJP	NA	NA
+MJ006951	gamma-Glutamyl-beta-aminopropiononitrile 	C8H13N3O3	199.095691	NA	MeJP	NA	NA
+C06114	gamma-Glutamyl-beta-aminopropiononitrile	C8H13N3O3	199.0957	NA	KEGG	NA	NA
+MJ006952	1-(1H-Indol-3-yl)-3-methyl-2-buten-1-one 	C13H13NO	199.099714	NA	MeJP	NA	NA
+MJ006953	2-(1-Propenyl)quinoline; 4-Methoxy 	C13H13NO	199.099714	NA	MeJP	NA	NA
+MJ006954	3-(3-Methyl-2-butenylidene)-2-indolinone 	C13H13NO	199.099714	NA	MeJP	NA	NA
+MJ006955	5-(1H-Indol-3-yl)-3-penten-2-one 	C13H13NO	199.099714	NA	MeJP	NA	NA
+MJ006956	7-(3-Methyl-2-butenyl)-1H-indole; 1'-Oxo 	C13H13NO	199.099714	NA	MeJP	NA	NA
+MJ006957	N-(3-Phenylpropanoyl)pyrrole 	C13H13NO	199.099714	NA	MeJP	NA	NA
+MJ006958	Cevimeline 	C10H17NOS	199.103084	NA	MeJP	NA	NA
+C11180	Pyrimethanil	C12H13N3	199.1109	NA	KEGG	NA	NA
+MJ006959	Bis(2-pyridinylmethyl)amine 	C12H13N3	199.110947	NA	MeJP	NA	NA
+MJ006960	Bis(3-pyridylmethyl)amine 	C12H13N3	199.110947	NA	MeJP	NA	NA
+MJ006961	Gapicomine 	C12H13N3	199.110947	NA	MeJP	NA	NA
+C10411	Tussilagine	C10H17NO3	199.1208	NA	KEGG	NA	NA
+C12448	Ecgonine methyl ester	C10H17NO3	199.1208	NA	KEGG	NA	NA
+HMDB06406	ecgonine methyl ester	C10H17NO3	199.12083	http://www.hmdb.ca/metabolites/HMDB06406	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06406	ecgonine methyl ester	C10H17NO3	199.12083	http://www.hmdb.ca/metabolites/HMDB06406	HMDB	NA	NA
+HMDB06406	ecgonine methyl ester	C10H17NO3	199.12083	http://www.hmdb.ca/metabolites/HMDB06406	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06406	ecgonine methyl ester	C10H17NO3	199.12083	HMDB06406	PFEM_hmdb_metabocards_official	NA	NA
+MJ006962	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Ac 	C10H17NO3	199.120843	NA	MeJP	NA	NA
+MJ006963	Antibiotic MBH 001 	C10H17NO3	199.120843	NA	MeJP	NA	NA
+MJ006964	Ecgonine, Me ester 	C10H17NO3	199.120843	NA	MeJP	NA	NA
+MJ006965	Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid, Me ester 	C10H17NO3	199.120843	NA	MeJP	NA	NA
+HMDB06406	Ecgonine methyl ester	C10H17NO3	199.12085	NA	HMDB2010	NA	NA
+HMDB06829	Protein N6,N6-dimethyl-L-lysine	C9H17N3O2	199.13208	http://www.hmdb.ca/metabolites/HMDB06829	HMDB	NA	NA
+HMDB06829	Protein N6,N6-dimethyl-L-lysine	C9H17N3O2	199.13208	HMDB06829	PFEM_hmdb_metabocards_official	NA	NA
+MJ006966	2-Pentylquinoline 	C14H17N	199.136099	NA	MeJP	NA	NA
+MJ006967	2-(2-Hydroxypropyl)-1-methyl-5-(2-oxopropyl)pyrrolidine 	C11H21NO2	199.157228	NA	MeJP	NA	NA
+MJ006968	7a-Hydroxyskytanthine, N-Oxide 	C11H21NO2	199.157228	NA	MeJP	NA	NA
+MJ006969	Incarvilline; 5-Hydroxy 	C11H21NO2	199.157228	NA	MeJP	NA	NA
+MJ006970	N,N-Diethyl-4-methyl-1-piperazinecarboxamide 	C10H21N3O	199.168462	NA	MeJP	NA	NA
+C07968	Diethylcarbamazine	C10H21N3O	199.1685	NA	KEGG	NA	NA
+C07969	Transferred to D00803	C10H21N3O	199.1685	NA	KEGG	NA	NA
+C13831	Dodecanamide	C12H25NO	199.1936	NA	KEGG	NA	NA
+MJ006971	Dodecanoic acid; Amide 	C12H25NO	199.193614	NA	MeJP	NA	NA
+MJ006972	Octamylamine 	C13H29N	199.229999	NA	MeJP	NA	NA
+8025	synthetic peptide	PHF	199.589	MH2+	Inhouse_peptide	NA	peptide
+7996	synthetic peptide	LHM	199.5912	MH2+	Inhouse_peptide	NA	peptide
+3744	NA	VGAPG	199.5995	MH2+	Inhouse_peptide	NA	peptide
+3745	NA	GVAPG	199.5995	MH2+	Inhouse_peptide	NA	peptide
+3373	ACE inhibitor from beta-CN	PQR	199.6055	MH2+	Inhouse_peptide	NA	peptide
+3625	NA	RKP	199.6235	MH2+	Inhouse_peptide	NA	peptide
+3626	NA	KRP	199.6235	MH2+	Inhouse_peptide	NA	peptide
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	199.6674345	MH2+	Inhouse_peptide	NA	peptide
+MJ006973	Dibromoacetaldehyde 	C2H2Br2O	199.847239	NA	MeJP	NA	NA
+MJ006974	(Methylthio) (2-propenylthio) selenide 	C4H8S2Se	199.923263	NA	MeJP	NA	NA
+MJ006975	3-Bromo-4-hydroxybenzaldehyde 	C7H5BrO2	199.947292	NA	MeJP	NA	NA
+MJ006976	3-Bromobenzoic acid 	C7H5BrO2	199.947292	NA	MeJP	NA	NA
+MJ006977	Orosomycin; N-De-Me 	C6H4N2O2S2	199.971418	NA	MeJP	NA	NA
+MJ006978	3-Chloro-1,2-propanediol, Dinitrate 	C3H5ClN2O6	199.983613	NA	MeJP	NA	NA
+MJ006979	3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 	C7H4O7	199.995702	NA	MeJP	NA	NA
+MJ006980	2-Chloro-4-nitrobenzoic acid; Amide 	C7H5ClN2O3	199.998869	NA	MeJP	NA	NA
+C07520	Sevoflurane	C4H3F7O	200.0072	NA	KEGG	NA	NA
+MJ006981	1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane 	C4H3F7O	200.007212	NA	MeJP	NA	NA
+MJ006982	D-Erythrose 4-phosphate 	C4H9O7P	200.008589	NA	MeJP	NA	NA
+MetaCyc01826	erythrulose-1-phosphate [erythrulose-1-P;glycerotetrulose-1-P;glycerotetrulose-1-phosphate;]	C4H9O7P1	200.008589	NA	metacyc	NA	NA
+MetaCyc01827	D-erythrose-4-phosphate [erythrose-4P;threose 4-phosphate;erythrose-4-phosphate;erythrose-4-P;D-erythrose-4-P;]	C4H9O7P1	200.008589	585-18-2	metacyc	NA	NA
+HMDB01321	D-Erythrose 4-phosphate	C4H9O7P	200.00859	http://www.hmdb.ca/metabolites/HMDB01321	HMDB	NA	NA
+HMDB01321	D-Erythrose 4-phosphate	C4H9O7P	200.00859	HMDB01321	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01321	D-Erythrose 4-phosphate	C4H9O7P	200.008591	NA	HMDB2010	NA	NA
+C00279	D-Erythrose 4-phosphate	C4H9O7P	200.0086	NA	KEGG	NA	NA
+C03109	D-Threose 4-phosphate	C4H9O7P	200.0086	NA	KEGG	NA	NA
+C03110	DNA N4-methylcytosine	C10H16N3O7P	200.0086	NA	KEGG	NA	NA
+C03394	Erythrulose 1-phosphate	C4H9O7P	200.0086	NA	KEGG	NA	NA
+C03395	Fatty acid methyl ester	C2H3O2R	200.0086	NA	KEGG	NA	NA
+C03396	Gelatin chain alpha1(I)	C2H3O2R	200.0086	NA	KEGG	NA	NA
+C03397	Gelatin chain alpha2(I)	C2H3O2R	200.0086	NA	KEGG	NA	NA
+C03399	Glucosylated glycogenin	C2H3O2R	200.0086	NA	KEGG	NA	NA
+C03400	Glycoside of aldohexose	C6H11O6R	200.0086	NA	KEGG	NA	NA
+C03604	D-Erythrulose 4-phosphate	C4H9O7P	200.0086	NA	KEGG	NA	NA
+C11496	(R)-2-Hydroxypropyl-CoM	C5H12O4S2	200.0177	NA	KEGG	NA	NA
+C11498	(S)-2-Hydroxypropyl-CoM	C5H12O4S2	200.0177	NA	KEGG	NA	NA
+MetaCyc01828	2-hydroxypropyl-CoM []	C5H12O4S2	200.0177	NA	metacyc	NA	NA
+C13701	CPP	C9H9ClO3	200.024	NA	KEGG	NA	NA
+MJ006983	4-Chloro-3,5-dihydroxybenzaldehyde; Di-Me ether 	C9H9ClO3	200.024021	NA	MeJP	NA	NA
+MJ006984	2-[4-(2-Thienyl)-1-buten-3-ynyl]furan 	C12H8OS	200.029585	NA	MeJP	NA	NA
+MetaCyc01829	dibenzothiophene-5-oxide [DBTO;]	C12H8O1S1	200.029586	1013-23-6	metacyc	NA	NA
+MJ006985	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate 	C8H8O6	200.032088	NA	MeJP	NA	NA
+MJ006986	2-Hydroxy-5-carboxymethylmuconate semialdehyde 	C8H8O6	200.032088	NA	MeJP	NA	NA
+MJ006987	4-Fumarylacetoacetate 	C8H8O6	200.032088	NA	MeJP	NA	NA
+MJ006988	4-Maleylacetoacetate 	C8H8O6	200.032088	NA	MeJP	NA	NA
+MetaCyc01830	(1R,2S)-dihydroxy-1,4-dicarboxy-3,5-cyclohexadiene [(1R,2S)-dihydroxy-3,5-cyclohexadiene-1,4-dicarboxylic acid;]	C8H8O6	200.032088	NA	metacyc	NA	NA
+MetaCyc01831	2-hydroxy-5-carboxymethylmuconate semialdehyde [2-hydroxy-5-carboxymethyl-cis,cis-muconate 6-semialdehyde;2-hydroxy-5-carboxymethylmuconate 6-semialdehyde;5-carboxymethyl-2-hydroxymuconate 6-semialdehyde;5-carboxymethyl-2-hydroxymuconate semialdehyde;]	C8H8O6	200.032088	NA	metacyc	NA	NA
+MetaCyc01832	(1R,6S)-dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate [Cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate;(1R,6S)-dihydroxycyclohexa-2,4-dicarboxylate;(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate;terephthalate-1,2-cis-dihydrodiol;cis-4,5-dihydroxycyclohexa-1(6),d-diene-1,4-dicarboxylate;]	C8H8O6	200.032088	NA	metacyc	NA	NA
+MetaCyc01833	cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate [phthalate-4,5-cis-dihydrodiol;]	C8H8O6	200.032088	130073-64-2	metacyc	NA	NA
+MetaCyc01834	4-maleyl-acetoacetate []	C8H8O6	200.032088	NA	metacyc	NA	NA
+MetaCyc01835	4-fumaryl-acetoacetate []	C8H8O6	200.032088	NA	metacyc	NA	NA
+HMDB01268	4-Fumarylacetoacetic acid	C8H8O6	200.032089	NA	HMDB2010	NA	NA
+HMDB02052	Maleylacetoacetic acid	C8H8O6	200.032089	NA	HMDB2010	NA	NA
+HMDB01268	4-Fumarylacetoacetic acid	C8H8O6	200.03209	http://www.hmdb.ca/metabolites/HMDB01268	HMDB	NA	NA
+HMDB02052	Maleylacetoacetic acid	C8H8O6	200.03209	http://www.hmdb.ca/metabolites/HMDB02052	HMDB	NA	NA
+HMDB01268	4-Fumarylacetoacetic acid	C8H8O6	200.03209	HMDB01268	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02052	Maleylacetoacetic acid	C8H8O6	200.03209	HMDB02052	PFEM_hmdb_metabocards_official	NA	NA
+C01036	4-Maleylacetoacetate	C8H8O6	200.0321	NA	KEGG	NA	NA
+C01061	4-Fumarylacetoacetate	C8H8O6	200.0321	NA	KEGG	NA	NA
+C04642	2-Hydroxy-5-carboxymethylmuconate semialdehyde	C8H8O6	200.0321	NA	KEGG	NA	NA
+C04783	cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate	C8H8O6	200.0321	NA	KEGG	NA	NA
+C05592	3-Carboxymethylmuconate	C8H8O6	200.0321	NA	KEGG	NA	NA
+C06318	(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate	C8H8O6	200.0321	NA	KEGG	NA	NA
+MJ006989	3-(2-Thiazolyl)-1H-indole 	C11H8N2S	200.040818	NA	MeJP	NA	NA
+MetaCyc01836	3-thiazol-2'-yl-indole [Camalexin;]	C11H8N2S1	200.040819	NA	metacyc	NA	NA
+MJ006990	Nifuratrone 	C7H8N2O5	200.043321	NA	MeJP	NA	NA
+CJneg0349	Deoxyhexose [(M+Cl)]-	C6H12ClO5	200.045725	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0349	Deoxyhexose [(M+Cl)]-	C6H12ClO5	200.045725	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ006991	5-Methyl-4H-furo[2,3-b][1]benzopyran-4-one 	C12H8O3	200.047344	NA	MeJP	NA	NA
+MJ006992	Naphtho[1,2-b]furan-4,5-dione; 2,3-Dihydro 	C12H8O3	200.047344	NA	MeJP	NA	NA
+MJ006993	Naphtho[2,3-b]furan-4,9-dione; 2,3-Dihydro 	C12H8O3	200.047344	NA	MeJP	NA	NA
+MJ006994	Ronidazole 	C6H8N4O4	200.054554	NA	MeJP	NA	NA
+C12673	Tegafur	C8H9FN2O3	200.0597	NA	KEGG	NA	NA
+C12674	Transferred to D01245	C8H9FN2O3	200.0597	NA	KEGG	NA	NA
+MJ006995	Tegafur 	C8H9FN2O3	200.05972	NA	MeJP	NA	NA
+MJ006996	2-Chloro-1-hydroxy-3(8),5-ochtodien-4-one 	C10H13ClO2	200.060407	NA	MeJP	NA	NA
+MJ006997	5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione 	C8H12N2O2S	200.061948	NA	MeJP	NA	NA
+MJ006998	3-(1-Formyl-1-propenyl)pentanedioic acid 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ006999	5-Ethyl-4-methoxy-6-methyl-2H-pyran-2-one; 1',2'-Dihydroxy 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ007000	Antirrhinolide 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ007001	Astepyrone 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ007002	Rehmaglutin C 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ007003	Scabrogenin 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ007004	Vertipyronediol 	C9H12O5	200.068473	NA	MeJP	NA	NA
+MJ007005	3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin 	C10H16S2	200.069341	NA	MeJP	NA	NA
+C06659	Dihydroclavaminic acid	C8H12N2O4	200.0797	NA	KEGG	NA	NA
+C17360	Alanylclavam	C8H12N2O4	200.0797	NA	KEGG	NA	NA
+MJ007006	Clavalanine 	C8H12N2O4	200.079706	NA	MeJP	NA	NA
+MJ007007	Clavaminic acid, 3,1'-Dihydro 	C8H12N2O4	200.079706	NA	MeJP	NA	NA
+MJ007008	Dihydroclavaminic acid 	C8H12N2O4	200.079706	NA	MeJP	NA	NA
+JH147	Alanyl glutamine [M+H-NH3]+	NA	200.0807	1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH147	Alanyl glutamine [M+H-NH3]+	NA	200.0807	1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH147	Alanyl glutamine [M+H-NH3]+	NA	200.0807	1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH147	Alanyl glutamine [M+H-NH3]+	NA	200.0807	1.12	Inhousejuil11	NA	NA
+C07721	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene	C13H12O2	200.0837	NA	KEGG	NA	NA
+C08458	Safynol	C13H12O2	200.0837	NA	KEGG	NA	NA
+C08741	Dehydrotremetone	C13H12O2	200.0837	NA	KEGG	NA	NA
+C14244	4-(Benzyloxyl)phenol	C13H12O2	200.0837	NA	KEGG	NA	NA
+C14298	Bis(4-hydroxyphenyl)methane	C13H12O2	200.0837	NA	KEGG	NA	NA
+C14747	2,2'-Bisphenol F	C13H12O2	200.0837	NA	KEGG	NA	NA
+MJ007009	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007010	1,5-Tridecadiene-7,9,11-triyne-3,4-diol 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007011	13-Hydroxy-2,8,10-tridecatriene-4,6-diynal 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007012	2,3,6-Trimethyl-1,4-naphthoquinone 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007013	3,11-Tridecadiene-5,7,9-triyne-1,2-diol 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007014	3-(1-Butenyl)-1H-2-benzopyran-1-one 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007015	4,4'-Dihydroxydiphenylmethane 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007016	4-(Benzyloxy)phenol 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007017	4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Aldehyde, Me ether 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007018	4-Methyl-1-azulenecarboxylic acid; Me ester 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007019	5-Acetyl-2-isopropenylbenzofuran 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007020	7-Phenyl-4,6-heptadiyne-2,3-diol 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007021	Goniothalamin 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MJ007022	Mycosinol; 4-Deoxy, 2,3-dihydro (7E-) 	C13H12O2	200.083729	NA	MeJP	NA	NA
+MetaCyc01837	(+)-(3S,4R)-cis-3,4-dihydroxy-3,4-dihydrofluorene []	C13H12O2	200.08373	NA	metacyc	NA	NA
+C16362	3,6,8-Trimethylallantoin	C7H12N4O3	200.0909	NA	KEGG	NA	NA
+MJ007023	5,6-Dihydro-3-phenyl-4H-pyrrolo[1,2-b]pyrazole; 4'-Hydroxy 	C12H12N2O	200.094963	NA	MeJP	NA	NA
+MJ007024	6,7,8,9-Tetrahydropyrido[2,1-b]quinazolin-11-one 	C12H12N2O	200.094963	NA	MeJP	NA	NA
+MJ007025	Harmalol 	C12H12N2O	200.094963	NA	MeJP	NA	NA
+MJ007026	Strychnocarpine 	C12H12N2O	200.094963	NA	MeJP	NA	NA
+C14759	4-Aminophenyl ether	C12H12N2O	200.095	NA	KEGG	NA	NA
+8051	synthetic peptide	PWV	200.0995	MH2+	Inhouse_peptide	NA	peptide
+8188	peptide from buckwheat	VPW	200.0995	MH2+	Inhouse_peptide	NA	peptide
+CJpos0522	Hexanoylcarnitine [(M+H)-(NC3H9)]+	C10H17N0O4	200.104275	C18rt(min)=6.65 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0522	Hexanoylcarnitine [(M+H)-(NC3H9)]+	C10H17N0O4	200.104275	C18rt(min)=6.65 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00603	cis-4-Decenedioic acid	C10H16O4	200.104858	NA	HMDB2010	NA	NA
+HMDB13226	cis-4-Decenedioic acid	C10H16O4	200.104858	NA	HMDB2010	NA	NA
+HMDB13227	cis-5-Decenedioic acid	C10H16O4	200.104858	NA	HMDB2010	NA	NA
+MJ007027	1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007028	1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one, 7-Hydroperoxide 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007029	2,3-Dihydroxy-4-decynoic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007030	2-Decenedioic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007031	3,5,7-Trihydroxy-p-menth-1-en-6-one 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007032	3,7-Dimethyl-2-octene-1,8-dioic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007033	4-Decenedioic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007034	5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007035	Alyxialactone 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007036	Amplexin 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007037	Decarestrictine C1 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007038	Decarestrictine J 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007039	Djalonenol 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007040	Exogonic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007041	Gelsemiol 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007042	Mussaenin A 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007043	Nepetalinic acid 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007044	Patriscabrol 	C10H16O4	200.104859	NA	MeJP	NA	NA
+MJ007045	Villosol 	C10H16O4	200.104859	NA	MeJP	NA	NA
+HMDB00603	Decenedioic acid	C10H16O4	200.10486	http://www.hmdb.ca/metabolites/HMDB00603	HMDB	NA	NA
+HMDB00603	Decenedioic acid	C10H16O4	200.10486	HMDB00603	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0523	Asp-Leu Asp-Ile [(M+H)-(HCOOH)]+	C9H17N2O3	200.115575	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0523	Asp-Leu § Asp-Ile [(M+H)-(HCOOH)]+	C9H17N2O3	200.115575	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ007046	4,6,10,12-Tetradecatetraen-8-yn-1-ol, Aldehyde 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007047	4,6,12-Tetradecatriene-8,10-diyn-1-ol 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007048	4,6,8-Tetradecatriene-10,12-diyn-3-ol 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007049	5-Isopropyl-8-methyl-2-naphthol 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007050	6,12-Tetradecadien-8,10-diyn-3-one 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007051	6-Tetradecene-8,10,12-triyn-3-ol 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007052	Chamaecynenol; 3,4-Didehydro,15-aldehyde 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007053	Liguhodgsonal, Deoxy 	C14H16O	200.120115	NA	MeJP	NA	NA
+MJ007054	8-Mercapto-p-menthan-3-one, S-Me 	C11H20OS	200.123485	NA	MeJP	NA	NA
+MJ007055	Stendomycidine 	C8H16N4O2	200.127325	NA	MeJP	NA	NA
+C07450	Dexmedetomidine	C13H16N2	200.1313	NA	KEGG	NA	NA
+C07912	Tetrahydrozoline	C13H16N2	200.1313	NA	KEGG	NA	NA
+MJ007056	1,2,3,4-Tetrahydro-1-methyl-?-carboline, Nb-Me 	C13H16N2	200.131348	NA	MeJP	NA	NA
+MJ007057	1,3',4',5-Tetrahydro-7'-methylspiro[4H-imidazole-4,2'(1'H)-naphthalene] 	C13H16N2	200.131348	NA	MeJP	NA	NA
+MJ007058	4-[2-(2,6-Dimethylphenyl)ethyl]-1H-imidazole 	C13H16N2	200.131348	NA	MeJP	NA	NA
+MJ007059	Medetomidine 	C13H16N2	200.131348	NA	MeJP	NA	NA
+MJ007060	Tetryzoline 	C13H16N2	200.131348	NA	MeJP	NA	NA
+MJ007061	11-Hydroxy-9-undecenoic acid 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007062	2-(2-Butenylidene)-5-heptene-1,3,4-triol, 2,3-Dihydro 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007063	3-Hexyldihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007064	6-Oxoundecanoic acid 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007065	9-Hydroxy-10-undecenoic acid 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007066	9-Oxononanoic acid; Et ester 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007067	Ficusone 	C11H20O3	200.141244	NA	MeJP	NA	NA
+MJ007068	Valrocemide 	C10H20N2O2	200.152477	NA	MeJP	NA	NA
+MetaCyc01838	dimethylsuberimidate []	C10H20N2O2	200.152478	NA	metacyc	NA	NA
+MJ007069	1(10),2,4-Aromadendratriene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007070	1,3,5,7(14),10-Bisabolapentaene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007071	1,3,5,9,11-Bisabolapentaene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007072	2,4,8,10-Pentadecatetraen-6-yne 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007073	2,9-Pentadecadiene-4,6-diyne 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007074	3,6,9,12-Pentadecatetraen-1-yne 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007075	?-Calacorene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007076	Cyclolaurene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007077	Isolaurene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007078	Laurene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007079	?-Calacorene 	C15H20	200.1565	NA	MeJP	NA	NA
+MJ007080	?-Corocalene 	C15H20	200.1565	NA	MeJP	NA	NA
+C02679	Dodecanoic acid	C12H24O2	200.1776	NA	KEGG	NA	NA
+HMDB00638	Dodecanoic acid	C12H24O2	200.177628	NA	HMDB2010	NA	NA
+HMDB00638	Dodecanoic acid	C12H24O2	200.17763	http://www.hmdb.ca/metabolites/HMDB00638	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00638	Dodecanoic acid	C12H24O2	200.17763	http://www.hmdb.ca/metabolites/HMDB00638	HMDB	NA	NA
+MJ007081	1-Decanol; Ac 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007082	1-Octanol; Butanoyl 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007083	10-Methylundecanoic acid 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007084	2,4,6-Trimethylnonanoic acid 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007085	2,4,6-Trimethyloctanoic acid, Me ester 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007086	2,6-Dimethyldecanoic acid 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007087	2,8-Dimethyldecanoic acid 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007088	3,7-Dimethyl-1-octanol, Ac 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007089	4,9-Dimethyldecanoic acid 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007090	5-Isopropyl-3-nonene-2,8-diol 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007091	6-Methyl-3-nonanol; Ac 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007092	8-Hydroxy-2,5,8-trimethyl-4-nonanone 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007093	Decanoic acid; Et ester 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MJ007094	Dodecanoic acid 	C12H24O2	200.17763	NA	MeJP	NA	NA
+MetaCyc01839	dodecanoate [Dodecanoate (n-C12:0);]	C12H24O2	200.17763	143-07-7	metacyc	NA	NA
+HMDB00638	Dodecanoic acid	C12H24O2	200.17763	http://www.hmdb.ca/metabolites/HMDB00638	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00638	Dodecanoic acid	C12H24O2	200.17763	HMDB00638	PFEM_hmdb_metabocards_official	NA	NA
+C14509	1-Tridecanol	C13H28O	200.214	NA	KEGG	NA	NA
+MJ007095	1-Tridecanol 	C13H28O	200.214015	NA	MeJP	NA	NA
+MJ007096	9-Methyl-6-dodecanol 	C13H28O	200.214015	NA	MeJP	NA	NA
+MetaCyc01840	1,12-diaminooctane []	C12H28N2	200.225249	NA	metacyc	NA	NA
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR407	Acide retinoique F5	NA	200.257375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR407	Acide retinoique F5	NA	200.257375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR407	Acide retinoique F5	NA	200.257375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR407	Acide retinoique F5	NA	200.257375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR407	Retinoic acid F5	F5	200.257375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+3786	NA	GYY	200.5735	MH2+	Inhouse_peptide	NA	peptide
+7867	antioxidative peptide from Okara protein	GYY	200.5735	MH2+	Inhouse_peptide	NA	peptide
+7946	Antioxidative peptide	YYG	200.5735	MH2+	Inhouse_peptide	NA	peptide
+7967	Antioxidative peptide	YGY	200.5735	MH2+	Inhouse_peptide	NA	peptide
+CJpos0524	Taurine (and isomer) [(M-H)+2(K)]+	C2H6O3NK2S	200.925875	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0524	Taurine (and isomer) [(M-H)+2(K)]+	C2H6O3NK2S	200.925875	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C05705	Selenocysteine seleninic acid	C3H7NO4Se	200.954	NA	KEGG	NA	NA
+MJ007097	Selenocysteine selenate 	C3H7NO4Se	200.954029	NA	MeJP	NA	NA
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	http://www.hmdb.ca/metabolites/HMDB00731	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	http://www.hmdb.ca/metabolites/HMDB00731	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	http://www.hmdb.ca/metabolites/HMDB00731	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	http://www.hmdb.ca/metabolites/HMDB00731	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	http://www.hmdb.ca/metabolites/HMDB00731	HMDB	NA	NA
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	http://www.hmdb.ca/metabolites/HMDB00731	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00731	S-sulphocysteine	C3H7NO5S2	200.97656	HMDB00731	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00731	Cysteine-S-sulfate	C3H7NO5S2	200.976562	NA	HMDB2010	NA	NA
+MJ007098	S-Sulfocysteine 	C3H7NO5S2	200.976563	NA	MeJP	NA	NA
+MetaCyc01841	S-sulfo-L-cysteine [S-sulfocysteine;]	C3H7N1O5S2	200.976564	NA	metacyc	NA	NA
+C05824	S-Sulfo-L-cysteine	C3H7NO5S2	200.9766	NA	KEGG	NA	NA
+JH055	Acetylcysteine [M+K]+	NA	200.98622	3.81	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH055	Acetylcysteine [M+K]+	NA	200.98622	3.81	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH055	Acetylcysteine [M+K]+	NA	200.98622	3.81	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH055	Acetylcysteine [M+K]+	NA	200.98622	3.81	Inhousejuil11	NA	NA
+MJ007099	Tetramethylammonium(1+); Iodide 	C4H12IN	201.001442	NA	MeJP	NA	NA
+MJ007100	4-Sulfobenzoic acid; S-Amide 	C7H7NO4S	201.009578	NA	MeJP	NA	NA
+MJ007101	7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline 	C9H9Cl2N	201.011204	NA	MeJP	NA	NA
+MJ007102	2-Amino-2-(3-chloro-4-hydroxyphenyl)acetic acid 	C8H8ClNO3	201.01927	NA	MeJP	NA	NA
+MJ007103	?-Amino-2-chloro-5-hydroxybenzeneacetic acid 	C8H8ClNO3	201.01927	NA	MeJP	NA	NA
+MJ007104	Cavernicolin 1; 5,7-Bisdebromo, 5-chloro 	C8H8ClNO3	201.01927	NA	MeJP	NA	NA
+MetaCyc01842	5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate []	C5H5N4O5	201.025994	NA	metacyc	NA	NA
+MJ007105	2-(4-Thiazolyl)-1H-benzimidazole 	C10H7N3S	201.036067	NA	MeJP	NA	NA
+CJpos0525	Hippuric acid [(M+Na)]+	C9H9NNaO3	201.039675	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0525	Hippuric acid [(M+Na)]+	C9H9NNaO3	201.039675	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH094	Hippuric acid [M+Na]+	NA	201.0414	10.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH094	Hippuric acid [M+Na]+	NA	201.0414	10.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH094	Hippuric acid [M+Na]+	NA	201.0414	10.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH094	Hippuric acid [M+Na]+	NA	201.0414	10.55	Inhousejuil11	NA	NA
+CJneg0350	Deoxyhexose [(M+Cl)]- (13C)	C513CH12ClO5	201.049025	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0350	Deoxyhexose [(M+Cl)]- (13C)	C513CH12ClO5	201.049025	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0351	Stachydrine (Proline betaine) [(M-H)+(NaCl)]-	C7H12ClNNaO2	201.053825	C18rt(min)=0.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0351	Stachydrine (Proline betaine) [(M-H)+(NaCl)]-	C7H12ClNNaO2	201.053825	C18rt(min)=0.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007106	1-Methyl-4-mercaptohistidine 	C7H11N3O2S	201.057197	NA	MeJP	NA	NA
+MJ007107	5-Mercaptohistidine, 1-Me 	C7H11N3O2S	201.057197	NA	MeJP	NA	NA
+MJ007108	Leptosphaerin 	C8H11NO5	201.063722	NA	MeJP	NA	NA
+MJ007109	Misonidazole 	C7H11N3O4	201.074955	NA	MeJP	NA	NA
+C11172	Simazine	C7H12ClN5	201.0781	NA	KEGG	NA	NA
+MJ007110	Methylcarbamic acid; 1-Naphthyl ester 	C12H11NO2	201.078978	NA	MeJP	NA	NA
+C07491	Carbaryl	C12H11NO2	201.079	NA	KEGG	NA	NA
+C08061	2'-Aminobiphenyl-2,3-diol	C12H11NO2	201.079	NA	KEGG	NA	NA
+8050	synthetic peptide	PWT	201.089	MH2+	Inhouse_peptide	NA	peptide
+MJ007111	4-Amino-6-methyl-2-phenyl-3(2H)-pyridazinone 	C11H11N3O	201.090211	NA	MeJP	NA	NA
+MJ007112	Edrophonium(1+); Chloride 	C10H16ClNO	201.092041	NA	MeJP	NA	NA
+CJpos0526	Pantothenic acid [(M+H)-(H2O)]+	C9H16O4N	201.099575	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0526	Pantothenic acid [(M+H)-(H2O)]+	C9H16O4N	201.099575	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR343	Acide pantothenique F3	NA	201.100475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR343	Acide pantothenique F3	NA	201.100475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR343	Acide pantothenique F3	NA	201.100475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR343	Acide pantothenique F3	NA	201.100475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR343	pantothenic acid F3	F3	201.100475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+JH152	Pantothenic acid [M+H-H20]+	NA	201.1017	6.63	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH152	Pantothenic acid [M+H-H20]+	NA	201.1017	6.63	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH152	Pantothenic acid [M+H-H20]+	NA	201.1017	6.63	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH152	Pantothenic acid [M+H-H20]+	NA	201.1017	6.63	Inhousejuil11	NA	NA
+8319	Dvl protein binding	VWV	201.1075	MH2+	Inhouse_peptide	NA	peptide
+C02691	Heteropyrithiamine	C11H13N4	201.114	NA	KEGG	NA	NA
+MetaCyc01843	heteropyrithiamine []	C11H13N4	201.114021	NA	metacyc	NA	NA
+MJ007113	1-Cinnamoylpyrrolidine 	C13H15NO	201.115364	NA	MeJP	NA	NA
+MJ007114	4-Hydroxy-2-propylquinoline; NH-form, N-Me 	C13H15NO	201.115364	NA	MeJP	NA	NA
+MJ007115	4-Hydroxy-2-propylquinoline; OH-form, Me ether 	C13H15NO	201.115364	NA	MeJP	NA	NA
+MJ007116	4-Hydroxyphenylacetic acid; O-(3-Methyl-2-butenyl), nitrile 	C13H15NO	201.115364	NA	MeJP	NA	NA
+MJ007117	Indanazoline 	C12H15N3	201.126597	NA	MeJP	NA	NA
+HMDB00832	Capryloylglycine	C10H19NO3	201.13649	http://www.hmdb.ca/metabolites/HMDB00832	HMDB	NA	NA
+HMDB00832	Capryloylglycine	C10H19NO3	201.13649	HMDB00832	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00832	Capryloylglycine	C10H19NO3	201.13649	NA	HMDB2010	NA	NA
+MJ007118	2-Amino-3-hydroxy-4-methyl-6-octenoic acid, N-Me 	C10H19NO3	201.136493	NA	MeJP	NA	NA
+MJ007119	8-Amino-2-methyl-7-oxononanoic acid 	C10H19NO3	201.136493	NA	MeJP	NA	NA
+MJ007120	Alanine, N-(5-Methyl-3-oxohexyl) 	C10H19NO3	201.136493	NA	MeJP	NA	NA
+3752	NA	KKK	201.141	MH2+	Inhouse_peptide	NA	peptide
+8116	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GAWA	201.587	MH2+	Inhouse_peptide	NA	peptide
+MJ007121	1,2,4,5,7-Pentathiocane 	C3H6S5	201.907303	NA	MeJP	NA	NA
+MJ007122	1,2,4,6-Tetrathiepane; 4,4-Dioxide 	C3H6O2S4	201.925062	NA	MeJP	NA	NA
+MJ007123	1,5,2,4-Dioxadithiepane; S,S,S',S'-Tetraoxide 	C3H6O6S2	201.960579	NA	MeJP	NA	NA
+MJ007124	3-Bromo-4-hydroxybenzyl alcohol 	C7H7BrO2	201.962942	NA	MeJP	NA	NA
+MJ007125	5-Bromo-2-hydroxybenzyl alcohol 	C7H7BrO2	201.962942	NA	MeJP	NA	NA
+C00703	Mercury(2+)	Hg	201.9706	NA	KEGG	NA	NA
+C01319	Hg	Hg	201.9706	NA	KEGG	NA	NA
+C01321	RI	IR	201.9706	NA	KEGG	NA	NA
+C01322	RX	XR	201.9706	NA	KEGG	NA	NA
+MetaCyc01844	Hg2+ [Hg++;Hg+2;mercury ion;mercury (II);]	HG1	201.970626	NA	metacyc	NA	NA
+MetaCyc01845	Hg0 [elemental mercury;metallic mercury;mercury;quicksilver;]	HG1	201.970626	NA	metacyc	NA	NA
+HMDB03625	Mercury	Hg	201.97064	http://www.hmdb.ca/metabolites/HMDB03625	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03625	Mercury	Hg	201.97064	http://www.hmdb.ca/metabolites/HMDB03625	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03625	Mercury	Hg	201.97064	http://www.hmdb.ca/metabolites/HMDB03625	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03625	Mercury	Hg	201.97064	http://www.hmdb.ca/metabolites/HMDB03625	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03625	Mercury	Hg	201.97064	http://www.hmdb.ca/metabolites/HMDB03625	HMDB	NA	NA
+HMDB03625	Mercury	Hg	201.97064	http://www.hmdb.ca/metabolites/HMDB03625	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03625	Mercury	Hg	201.97064	HMDB03625	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03625	Mercury	[Hg]2+	201.970642	NA	HMDB2010	NA	NA
+CJneg0352	Oxalic acid [(2M-2H+Na)]-	C4H2NaO8	201.973125	C18rt(min)=0.95 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0352	Oxalic acid [(2M-2H+Na)]-	C4H2NaO8	201.973125	C18rt(min)=0.95 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14397	Dinitrochlorobenzene	C6H3ClN2O4	201.9781	NA	KEGG	NA	NA
+MetaCyc01846	1-chloro-2,4-dinitrobenzene [CDNB;]	C6H3N2O4CL1	201.978134	NA	metacyc	NA	NA
+MJ007126	4-Sulfobenzoate 	C7H6O5S	201.993594	NA	MeJP	NA	NA
+MetaCyc01847	4-sulfobenzoate []	C7H6O5S1	201.993594	636-78-2	metacyc	NA	NA
+C02236	4-Sulfobenzoate	C7H6O5S	201.9936	NA	KEGG	NA	NA
+C06206	Benzoyl phosphate	C7H7O5P	202.0031	NA	KEGG	NA	NA
+MJ007127	Benzoyl phosphate 	C7H7O5P	202.003109	NA	MeJP	NA	NA
+MJ007128	4-(Hydroxyphenyl)diazenesulfonic acid 	C6H6N2O4S	202.004827	NA	MeJP	NA	NA
+MJ007129	2-Hydroxy-2-hydropyrone-4,6-dicarboxylate 	C7H6O7	202.011352	NA	MeJP	NA	NA
+MJ007130	4-Carboxy-2-hydroxy-cis,cis-muconate 	C7H6O7	202.011352	NA	MeJP	NA	NA
+MJ007131	4-Carboxy-2-hydroxyhexa-2,4-dienedioate 	C7H6O7	202.011352	NA	MeJP	NA	NA
+MJ007132	4-Carboxy-2-oxo-3-hexenedioate 	C7H6O7	202.011352	NA	MeJP	NA	NA
+MJ007133	Prozymonic acid 	C7H6O7	202.011352	NA	MeJP	NA	NA
+MetaCyc01848	4-oxalomesaconate [&gamma;-oxalomesaconate;(E)-3-carboxy-5-oxo-2-hexenedioic-acid;]	C7H6O7	202.011353	NA	metacyc	NA	NA
+MetaCyc01849	4-carboxy-2-hydroxy-cis,cis-muconate [4-carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate;]	C7H6O7	202.011353	NA	metacyc	NA	NA
+MetaCyc01850	4-carboxy-2-oxo-3-hexenedioate []	C7H6O7	202.011353	NA	metacyc	NA	NA
+MetaCyc01851	4-carboxy-2-hydroxyhexa-2,4-dienedioate [2-hydroxy-4-carboxymuconate;4-carboxy-2-hydroxymuconate;]	C7H6O7	202.011353	NA	metacyc	NA	NA
+C04324	4-Carboxy-2-hydroxy-cis,cis-muconate	C7H6O7	202.0114	NA	KEGG	NA	NA
+C04434	(E)-4-Oxobut-1-ene-1,2,4-tricarboxylate	C7H6O7	202.0114	NA	KEGG	NA	NA
+C04451	4-Carboxy-2-hydroxyhexa-2,4-dienedioate	C7H6O7	202.0114	NA	KEGG	NA	NA
+C05364	4-Carboxy-2-oxo-3-hexenedioate	C7H6O7	202.0114	NA	KEGG	NA	NA
+C05365	E-Coniferyl alcohol	C7H6O7	202.0114	NA	KEGG	NA	NA
+C03494	D-Erythritol 4-phosphate	C4H11O7P	202.0242	NA	KEGG	NA	NA
+MetaCyc01852	D-erythritol-4-phosphate []	C4H11O7P1	202.024239	NA	metacyc	NA	NA
+C00758	Bergaptol	C11H6O4	202.0266	NA	KEGG	NA	NA
+C00759	Caldesmon	C11H6O4	202.0266	NA	KEGG	NA	NA
+C00760	Cellulose	C11H6O4	202.0266	NA	KEGG	NA	NA
+C00841	Xanthotoxol	C11H6O4	202.0266	NA	KEGG	NA	NA
+C18084	Isobergaptol	C11H6O4	202.0266	NA	KEGG	NA	NA
+C18085	6-Hydroxyangelicin	C11H6O4	202.0266	NA	KEGG	NA	NA
+C18086	2'-Hydroxy caffeic acid	C8H7O3R	202.0266	NA	KEGG	NA	NA
+C18087	2'-Hydroxyferulic acid	C9H9O3R	202.0266	NA	KEGG	NA	NA
+C18088	2'-Hydroxy-MDCA	C9H7O3R	202.0266	NA	KEGG	NA	NA
+C18089	2',4'-Dihydroxycinnamic acid	C8H7O2R	202.0266	NA	KEGG	NA	NA
+MJ007134	6-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one 	C11H6O4	202.026608	NA	MeJP	NA	NA
+MJ007135	Bergaptol 	C11H6O4	202.026608	NA	MeJP	NA	NA
+MJ007136	Isobergaptol 	C11H6O4	202.026608	NA	MeJP	NA	NA
+MJ007137	Xanthotoxol 	C11H6O4	202.026608	NA	MeJP	NA	NA
+MetaCyc01853	xanthotoxol [8-hydroxyfuranocoumarin;]	C11H6O4	202.026609	2009-24-7	metacyc	NA	NA
+MetaCyc01854	bergaptol [5-hydroxyfuranocoumarin;]	C11H6O4	202.026609	486-60-2	metacyc	NA	NA
+MJ007138	Magnesium lactate 	C6H10MgO6	202.032779	NA	MeJP	NA	NA
+C12248	5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate	C5H6N4O5	202.0338	NA	KEGG	NA	NA
+MJ007139	3-(4-Chlorophenoxy)-1,2-propanediol 	C9H11ClO3	202.039671	NA	MeJP	NA	NA
+MJ007140	4-Chloro-3,5-dihydroxybenzyl alcohol; 1,3-Di-Me ether 	C9H11ClO3	202.039671	NA	MeJP	NA	NA
+C07928	Chlorphenesin	C9H11ClO3	202.0397	NA	KEGG	NA	NA
+C07929	Transferred to D00769	C9H11ClO3	202.0397	NA	KEGG	NA	NA
+CJneg0353	Deoxyhexose [(M+Cl)]- (37Cl)	C6H12Cl037ClO5	202.042725	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0353	Deoxyhexose [(M+Cl)]- (37Cl)	C6H12Cl037ClO5	202.042725	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0527	Hexose [(M+Na)]+	C6H12NaO6	202.044775	C18rt(min)=0.92 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0527	Hexose [(M+Na)]+	C6H12NaO6	202.044775	C18rt(min)=0.92 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ007141	1-(2,3-Dihydro-2-furyl)-4-(thien-2-yl)but-1-en-3-yne 	C12H10OS	202.045235	NA	MeJP	NA	NA
+MJ007142	5-(Methylthio)-1-phenyl-4-penten-2-yn-1-one 	C12H10OS	202.045235	NA	MeJP	NA	NA
+MJ007143	cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate 	C8H10O6	202.047738	NA	MeJP	NA	NA
+MetaCyc01855	cis-(homo)2aconitate [(Z)-1,2,5-pent-1-enetricarboxylic acid;]	C8H10O6	202.047738	NA	metacyc	NA	NA
+MJ007144	Antafenite 	C11H10N2S	202.056469	NA	MeJP	NA	NA
+MJ007145	Penmacric acid 	C7H10N2O5	202.058971	NA	MeJP	NA	NA
+MJ007146	2,2'-Dihydroxydiphenyl ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007147	2,5-Diacetylbenzofuran 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007148	2-(1-Methylethenyl)-5-benzofurancarboxylic acid 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007149	2-Hydroxy-3,6-dimethyl-1,4-naphthoquinone 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007150	4,5-Dihydroxy-2-naphthalenecarboxaldehyde; 4-Me ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007151	4-Hydroxy-2H-1-benzopyran-2-one; 2-Oxo-form, 4-(2-Propenyl) ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007152	4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007153	4-Hydroxy-6-phenyl-2(1H)-pyranone; Me ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007154	5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007155	5-Hydroxy-2-methyl-1,4-naphthoquinone; Me ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007156	7-(Hydroxymethyl)-2-methylnaphthoquinone 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007157	8-Hydroxy-3-methyl-1,2-naphthoquinone; Me ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007158	8-Hydroxy-6-methyl-1,2-naphthoquinone; Me ether 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007159	Frustulosin 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007160	Spizofurone 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MJ007161	2,2',3-Trihydroxybiphenyl 	C12H10O3	202.062994	NA	MeJP	NA	NA
+MetaCyc01856	2,2',3-trihydroxybiphenyl []	C12H10O3	202.062994	91368-55-7	metacyc	NA	NA
+C03569	2,2',3-Trihydroxybiphenyl	C12H10O3	202.063	NA	KEGG	NA	NA
+C06732	alpha,beta-Didehydrotryptophan	C11H10N2O2	202.0742	NA	KEGG	NA	NA
+C10744	Vasicinone	C11H10N2O2	202.0742	NA	KEGG	NA	NA
+MJ007162	2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; 5-Hydroxy 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MJ007163	2,3-Dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; N4-Oxide 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MJ007164	7-Amino-1,6-dimethyl-5,8-isoquinolinedione 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MJ007165	Damirone A; N5-De-Me 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MJ007166	Dehydrotryptophan 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MJ007167	Tolimidone 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MJ007168	Vasicinone 	C11H10N2O2	202.074227	NA	MeJP	NA	NA
+MetaCyc01857	&alpha;,&beta;-didehydrotryptophan []	C11H10N2O2	202.074228	NA	metacyc	NA	NA
+MJ007169	Fluoranthene 	C16H10	202.07825	NA	MeJP	NA	NA
+C14335	Pyrene	C16H10	202.0783	NA	KEGG	NA	NA
+C04067	Diethyl 2-methyl-3-oxosuccinate	C9H14O5	202.0841	NA	KEGG	NA	NA
+MJ007170	2,10-Dioxatricyclo[6.2.1.05,11]undecane-6,7,8-triol 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007171	3-(1-Formyl-1-propenyl)pentanedioic acid, 9-Alcohol 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007172	6-Deoxy-arabino-hexos-5-ulose; D-Furanose-form, ?-1,2-O-Isopropylidene 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007173	Bissetone 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007174	Dihydro-3-(1-hydroxyethyl)-4-methyl-2(3H)-furanone; 5-Acetoxy 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007175	Dihydrocatalpolgenin 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007176	Eucommiol; 1-Carboxylic acid 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MJ007177	Rehmaglutin A 	C9H14O5	202.084123	NA	MeJP	NA	NA
+MetaCyc01858	diethyl-2-methyl-3-oxosuccinate []	C9H14O5	202.084124	759-65-9	metacyc	NA	NA
+C10930	Metamitron	C10H10N4O	202.0855	NA	KEGG	NA	NA
+MJ007178	Proclavaminic acid 	C8H14N2O4	202.095356	NA	MeJP	NA	NA
+MJ007179	Coprine 	C8H14N2O4	202.095356	NA	MeJP	NA	NA
+MJ007180	Proclavaminic acid 	C8H14N2O4	202.095356	NA	MeJP	NA	NA
+MJ007181	?-Amino-2-carboxy-1-azetidinebutanoic acid 	C8H14N2O4	202.095356	NA	MeJP	NA	NA
+MetaCyc01859	proclavaminate []	C8H14N2O4	202.095357	NA	metacyc	NA	NA
+C06658	Proclavaminic acid	C8H14N2O4	202.0954	NA	KEGG	NA	NA
+C08271	Coprine	C8H14N2O4	202.0954	NA	KEGG	NA	NA
+PJ000033	SP 	C8H14N2O4	202.0954	NA	PeJP	NA	NA
+8017	synthetic peptide	LWS	202.0975	MH2+	Inhouse_peptide	NA	peptide
+3976	ACE inhibitor	LAMA	202.0992	MH2+	Inhouse_peptide	NA	peptide
+MJ007182	1,5,11-Tridecatriene-7,9-diyne-3,4-diol 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007183	1-(2-Hydroxy-5-vinylphenyl)-3-methyl-2-buten-1-one 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007184	2,8,10-Tridecatriene-4,6-diyn-1-ol; 10,11-Epoxide 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007185	3,5,11-Tridecadiene-7,9-diyne-1,2-diol 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007186	3,5,11-Tridecatriene-7,9-diyne-1,2-diol 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007187	3-(3-Methylbutylidene)-1(3H)-isobenzofuranone 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007188	3-Methyl-1,8-naphthalenediol; Di-Me ether 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007189	3-Tridecene-5,7,9-triyne-1,2-diol 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007190	4-Acetyl-2-(3-methyl-1,3-butadienyl)phenol 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007191	4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid; 1'-Alcohol, Me ether 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007192	6-Acetyl-2,2-dimethyl-2H-1-benzopyran 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007193	7-Acetyl-4-methylene-1,2,3,4-tetrahydro-1-naphthalenol 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007194	Incrustoporin 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007195	Myrochromanol, Ketone 	C13H14O2	202.099379	NA	MeJP	NA	NA
+MJ007196	Tremetone 	C13H14O2	202.099379	NA	MeJP	NA	NA
+C08992	Tremetone	C13H14O2	202.0994	NA	KEGG	NA	NA
+MetaCyc01860	isopentenyladenine [N6-&Delta;2-isopentenyladenine;iP;]	C10H12N5	202.10927	NA	metacyc	NA	NA
+MJ007197	1,2,3,4-Tetrahydro-1-methyl-?-carboline, Nb-Oxide 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007198	1,2,3,4-Tetrahydro-6-hydroxy-?-carboline; Me ether 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007199	1H-Indole-3-propanoic acid; Methylamide 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007200	7-Hydroxy-1-methyl-?-carboline; 1,2,3,4-Tetrahydro 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007201	Acetryptine 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007202	Dehydrobufotenine 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007203	Horsfiline, Demethoxy 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007204	Newbouldine, 4'-Hydroxy 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007205	Shepherdine 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007206	Tryptamine; Nb-Ac 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+MJ007207	Tryptamine; Nb-Formyl, Nb-Me 	C12H14N2O	202.110613	NA	MeJP	NA	NA
+CJpos0528	Heptylmalonic acid  [(M+H)]+	C10H19O4	202.119975	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0529	2-ethylsuberic acid  [(M+H)]+	C10H19O4	202.119975	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0528	Heptylmalonic acid  [(M+H)]+	C10H19O4	202.119975	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0529	2-ethylsuberic acid  [(M+H)]+	C10H19O4	202.119975	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C08277	Sebacic acid	C10H18O4	202.1205	NA	KEGG	NA	NA
+C14566	Diethyl adipate	C10H18O4	202.1205	NA	KEGG	NA	NA
+C17803	Dimethyl suberate	C10H18O4	202.1205	NA	KEGG	NA	NA
+MJ007208	2-Hydroxy-3-methylbutanoic acid, 3-Methylbutanoyl 	C10H18O4	202.120509	NA	MeJP	NA	NA
+MJ007209	3,5,7-Trihydroxy-p-menth-1-en-6-one, 6?-Alcohol 	C10H18O4	202.120509	NA	MeJP	NA	NA
+MJ007210	Decanedioic acid 	C10H18O4	202.120509	NA	MeJP	NA	NA
+MJ007211	Feigrisolide A 	C10H18O4	202.120509	NA	MeJP	NA	NA
+MJ007212	Oxalic acid; Dibutyl ester 	C10H18O4	202.120509	NA	MeJP	NA	NA
+MetaCyc01861	sebacate [sebacic acid;1,10-decanedioic acid;1,8-Octanedicarboxylic acid;n-decanedioic acid;decanedioic acid;decanedicarboxylic acid;]	C10H18O4	202.120509	111-20-6	metacyc	NA	NA
+HMDB00792	Sebacic acid	C10H18O4	202.12051	http://www.hmdb.ca/metabolites/HMDB00792	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00792	Sebacic acid	C10H18O4	202.12051	http://www.hmdb.ca/metabolites/HMDB00792	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00792	Sebacic acid	C10H18O4	202.12051	http://www.hmdb.ca/metabolites/HMDB00792	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00792	Sebacic acid	C10H18O4	202.12051	http://www.hmdb.ca/metabolites/HMDB00792	HMDB	NA	NA
+HMDB00792	Sebacic acid	C10H18O4	202.12051	HMDB00792	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00792	Sebacic acid	C10H18O4	202.120514	NA	HMDB2010	NA	NA
+3175	dipeptidyl-aminopeptidase IV inhibitor	LA	202.121	celiac toxic	Inhouse_peptide	NA	peptide
+4006	Ubiqitin-mediated proteolysis activating peptide	LA	202.121	antifungal	Inhouse_peptide	NA	peptide
+7562	ACE inhibitor from soy hydrolysate	IA	202.121	antioxidative	Inhouse_peptide	NA	peptide
+7585	ACE inhibitor	LA	202.121	antioxidative	Inhouse_peptide	NA	peptide
+8193	ACE inhibitor	AI	202.121	NA  ;SYN:Argininosuccinate; Argininosuccinic acid; Arginosuccinate; Arginosuccinic acid; L-Argininosuccinate; L-Argininosuccinic acid; L-Arginosuccinate; L-Arginosuccinic acid; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartate; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartic acid; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartate; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartic acid; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartate; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartic acid; 2-(N(omega)-L-arginino)succinate; 2-(N(omega)-L-arginino)succinic acid; N-(L-arginino) succinate; N-(L-arginino) succinic acid; 2-(Nw-L-arginino)butanedioic acid; 2-(N(omega)-L-arginine)succinate; 2-(N(omega)-L-arginine)succinic acid; N-(L-Arginino)succinate; N-(L-Arginino)succinic acid; ASA; N(omega)-(L-arginino)succinate; N(omega)-(L-arginino)succinic acid; 2-(Nw-L-arginino)butanedioateH2Blood; Urine	Inhouse_peptide	NA	peptide
+CJneg0354	Sebacic acid [M-H]-	C10H17O4	202.121025	C18rt(min)=7.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0355	2-ethylsuberic acid  [(M-H)]-	C10H17O4	202.121025	C18rt(min)=6.6 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0356	Heptylmalonic acid  [(M-H)]-	C10H17O4	202.121025	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0354	Sebacic acid [M-H]-	C10H17O4	202.121025	C18rt(min)=7.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0355	2-ethylsuberic acid  [(M-H)]-	C10H17O4	202.121025	C18rt(min)=6.6 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0356	Heptylmalonic acid  [(M-H)]-	C10H17O4	202.121025	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007213	3,4-Diaminobutanoic acid, N4-Tri-Me, N3-Ac 	C9H18N2O3	202.131742	NA	MeJP	NA	NA
+PJ000034	AL 	C9H18N2O3	202.1318	NA	PeJP	NA	NA
+MJ007214	1,2,3,4-Tetrahydro-2-isopropenyl-8-methyl-1-naphthol 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007215	13-Nor-2,4(15)-eudesmadien-11-yn-1-ol 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007216	4,6,10,12-Tetradecatetraen-8-yn-1-ol 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007217	4-(1-Propenyl)phenol, O-(3-Methyl-2-butenyl) 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007218	4-(2-Propenyl)phenol; O-(3-Methyl-2-butenyl) 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007219	5-(1,3-Heptadienyl)-6-methylene-2-cyclohexen-1-one 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007220	6,12-Tetradecadiene-8,10-diyn-3-ol 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007221	8-Tetradecene-11,13-diyn-2-one 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007222	Anisoxide 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007223	Chamaecynenol; 3,4-Didehydro 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007224	Chamaecynone 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007225	Khusilal 	C14H18O	202.135765	NA	MeJP	NA	NA
+MJ007226	Ligudentatol 	C14H18O	202.135765	NA	MeJP	NA	NA
+C12288	alpha-Amylcinnamaldehyde	C14H18O	202.1358	NA	KEGG	NA	NA
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	202.14297	http://www.hmdb.ca/metabolites/HMDB01539	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	202.14297	http://www.hmdb.ca/metabolites/HMDB03334	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	202.14297	http://www.hmdb.ca/metabolites/HMDB01539	HMDB	NA	NA
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	202.14297	http://www.hmdb.ca/metabolites/HMDB03334	HMDB	NA	NA
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	202.14297	http://www.hmdb.ca/metabolites/HMDB01539	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	202.14297	http://www.hmdb.ca/metabolites/HMDB03334	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	202.14297	HMDB01539	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	202.14297	HMDB03334	PFEM_hmdb_metabocards_official	NA	NA
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	PFEM_hmdb_metabocards_urine	NA	urine
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	HMDB	NA	NA
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	202.142975	NA	HMDB2010	NA	NA
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	202.142975	NA	HMDB2010	NA	NA
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	Inhouse_PFEM	NA	NA
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	Inhousejuil11	NA	NA
+MJ007227	NG,N'G-Dimethylarginine 	C8H18N4O2	202.142975	NA	MeJP	NA	NA
+MJ007228	NG,NG-Dimethylarginine 	C8H18N4O2	202.142975	NA	MeJP	NA	NA
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	PFEM_hmdb_metabocards_blood	NA	blood
+LABER054	Sym Dimethylarginine	NA	202.142975	RT 2.18 fragt 158.1287, 116.0706, 88.0869	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01862	NG,NG-dimethyl-L-arginine []	C8H18N4O2	202.142976	102783-24-4	metacyc	NA	NA
+HMDB01539	Dimethyl-L-arginine	C8H18N4O2	202.14298	NA  ;SYN:Guanidino-N(1),N(2)-dimethylarginine; N(G1),N(G2)-Dimethylarginine; N,n'-dimethylarginine; N5-((methylamino)(methylimino)methyl)-L-Ornithine; N5-(N,N'-dimethylamidino)-L-Ornithine; N5-[bis(methylamino)methylene]-L-Ornithine; NG,N'G-Dimethyl-L-arginine; NG,N'G-dimethylarginine; NG,NG'-dimethylarginineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03334	Symmetric dimethylarginine	C8H18N4O2	202.14298	NA  ;SYN:3,3'-Diselenobisalanine; 3,3'-Diselenodialanine; D,L-Selenocystine; DL-Selenocystine; Selenium cystine; Seleno-DL-cystineH2Blood	Inhouse_peptide	NA	peptide
+C01404	Arg-OEt	C8H18N4O2	202.143	NA	KEGG	NA	NA
+C03626	Nomega,Nomega'-Dimethyl-L-arginine	C8H18N4O2	202.143	NA	KEGG	NA	NA
+C03627	Neutral glycosphingolipid	C8H18N4O2	202.143	NA	KEGG	NA	NA
+MJ007229	Dicarbine 	C13H18N2	202.146998	NA	MeJP	NA	NA
+MJ007230	N,N-Dimethyltryptamine; Nb-Me 	C13H19N2(+)	202.146998	NA	MeJP	NA	NA
+MJ007231	3-Hydroxy-2-methylpentanoic acid, 1-Ethylpropyl ester 	C11H22O3	202.156894	NA	MeJP	NA	NA
+MJ007232	3-Hydroxyundecanoic acid 	C11H22O3	202.156894	NA	MeJP	NA	NA
+MJ007233	1(10),4-Aromadendradiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007234	1(10),6,11-Spirovetivatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007235	1(10),8-Aristoladiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007236	1,3,5,10-Bisabolatetraene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007237	1,3,5,11-Bisabolatetraene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007238	1,3,5,8,10-Farnesapentaene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007239	1,3,5-Herbertatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007240	1,3,5-Himachalatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007241	1,3,7(11),8-Elematetraene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007242	1,3-Maaliadiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007243	1,4(15),11-Eudesmatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007244	1,4,9-Cadinatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007245	1,5-Africanadiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007246	1,7(11),10(14)-Spirovetivatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007247	1,7(11),9-Eremophilatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007248	1,9,11-Eremophilatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007249	1,9-Aristoladiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007250	2,4(15)-Copadiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007251	2,4,11-Eudesmatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007252	2,4,8-Pentadecatrien-6-yne 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007253	2,4,9-Pentadecatrien-6-yne 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007254	2,4-Patchouladiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007255	3(15),4-Gymnomitradiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007256	3(15),4-Thujopsadiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007257	3,10(14)-Aromadendradiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007258	3,5,11-Eudesmatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007259	3,6,9-Pentadecatrien-1-yne 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007260	3,7,11-Acoratriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007261	4(15),5,11-Cadinatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007262	4(15),7(11),8-Eudesmatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007263	5),3-Aromadendradiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007264	5,7(14)-Silphiperfoladiene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007265	6,9,11-Eremophilatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007266	7,9,11-Nardosinatriene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007267	Anastreptene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007268	Calamenene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007269	Cuparene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007270	Laurene; 7,8-Dihydro 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007271	Laurene; 8,11-Dihydro 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007272	Olivacene 	C15H22	202.17215	NA	MeJP	NA	NA
+MJ007273	Saccogynol; 3-Deoxy 	C15H22	202.17215	NA	MeJP	NA	NA
+C09649	alpha-Curcumene	C15H22	202.1722	NA	KEGG	NA	NA
+MJ007274	1,12-Dodecanediol 	C12H26O2	202.19328	NA	MeJP	NA	NA
+MJ007275	5-Isopropyl-3-nonene-2,8-diol, 3,4-Dihydro 	C12H26O2	202.19328	NA	MeJP	NA	NA
+CJpos0530	Spermine [(M+H)]+	C10H27N4	202.215175	C18rt(min)=0.69 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0530	Spermine [(M+H)]+	C10H27N4	202.215175	C18rt(min)=0.69 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00750	Spermine	C10H26N4	202.2157	NA	KEGG	NA	NA
+HMDB01256	Spermine	C10H26N4	202.21574	http://www.hmdb.ca/metabolites/HMDB01256	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01256	Spermine	C10H26N4	202.21574	http://www.hmdb.ca/metabolites/HMDB01256	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01256	Spermine	C10H26N4	202.21574	http://www.hmdb.ca/metabolites/HMDB01256	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01256	Spermine	C10H26N4	202.21574	http://www.hmdb.ca/metabolites/HMDB01256	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01256	Spermine	C10H26N4	202.21574	http://www.hmdb.ca/metabolites/HMDB01256	HMDB	NA	NA
+HMDB01256	Spermine	C10H26N4	202.21574	http://www.hmdb.ca/metabolites/HMDB01256	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01256	Spermine	C10H26N4	202.21574	HMDB01256	PFEM_hmdb_metabocards_official	NA	NA
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	HMDB	NA	NA
+HMDB01256	Spermine	C10H26N4	202.215744	NA	HMDB2010	NA	NA
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	Inhouse_PFEM	NA	NA
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	Inhousejuil11	NA	NA
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER039	Spermine	NA	202.215744	RT 1.52 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MJ007276	Spermine 	C10H26N4	202.215746	NA	MeJP	NA	NA
+MJ007277	Thermospermine 	C10H26N4	202.215746	NA	MeJP	NA	NA
+MJ007278	Spermine 	C10H26N4	202.215746	NA	MeJP	NA	NA
+MetaCyc01863	spermine [gerontine;musculamine;neuridine;diaminopropyl-tetramethylenediamine;]	C10H26N4	202.215747	71-44-3	metacyc	NA	NA
+C07510	Hexamethonium	C12H30N2	202.2409	NA	KEGG	NA	NA
+3351	Stimulating vasoactive substance release	EEE	202.563	MH2+	Inhouse_peptide	NA	peptide
+8225	antioxidative peptide	SWN	202.57695	MH2+	Inhouse_peptide	NA	peptide
+3301	NA	HLH	202.6	MH2+	Inhouse_peptide	NA	peptide
+3302	NA	LHH	202.6	MH2+	Inhouse_peptide	NA	peptide
+7478	ACE inhibitor	HHL	202.6	MH2+	Inhouse_peptide	NA	peptide
+7909	synthetic peptide	IHH	202.6	MH2+	Inhouse_peptide	NA	peptide
+7984	synthetic peptide	HIH	202.6	MH2+	Inhouse_peptide	NA	peptide
+MJ007279	4-Bromo-1H-pyrrole-2-carboxylic acid; Me ester 	C6H6BrNO2	202.958191	NA	MeJP	NA	NA
+MJ007280	2-Amino-5-bromo-4-hydroxy-6-methylpyrimidine 	C5H6BrN3O	202.969424	NA	MeJP	NA	NA
+MJ007281	Tris(2-chloroethyl)amine 	C6H12Cl3N	203.003532	NA	MeJP	NA	NA
+MetaCyc01864	(E)-4-oxobut-1-ene-1,2,4-tricarboxylate []	C7H7O7	203.019178	NA	metacyc	NA	NA
+JH065	Phenylalanine [M+K]+	NA	203.0229	1.66	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH065	Phenylalanine [M+K]+	NA	203.0229	1.66	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH065	Phenylalanine [M+K]+	NA	203.0229	1.66	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH065	Phenylalanine [M+K]+	NA	203.0229	1.66	Inhousejuil11	NA	NA
+HMDB02015	Cystathionine ketimine	C7H9NO4S	203.02522	http://www.hmdb.ca/metabolites/HMDB02015	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02015	Cystathionine ketimine	C7H9NO4S	203.02522	http://www.hmdb.ca/metabolites/HMDB02015	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02015	Cystathionine ketimine	C7H9NO4S	203.02522	http://www.hmdb.ca/metabolites/HMDB02015	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02015	Cystathionine ketimine	C7H9NO4S	203.02522	http://www.hmdb.ca/metabolites/HMDB02015	HMDB	NA	NA
+HMDB02015	Cystathionine ketimine	C7H9NO4S	203.02522	HMDB02015	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02015	Cystathionine ketimine	C7H9NO4S	203.025223	NA	HMDB2010	NA	NA
+MJ007282	4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 	C7H9NO4S	203.025228	NA	MeJP	NA	NA
+MJ007283	1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol; 3-Deoxy, 3-chloro 	C8H10ClNO3	203.03492	NA	MeJP	NA	NA
+MJ007284	2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 	C7H9NO6	203.042987	NA	MeJP	NA	NA
+MJ007285	2-(2,3-Dicarboxycyclopropyl)glycine 	C7H9NO6	203.042987	NA	MeJP	NA	NA
+MJ007286	Tasuldine 	C10H9N3S	203.051717	NA	MeJP	NA	NA
+C00331	Indolepyruvate	C11H9NO3	203.0582	NA	KEGG	NA	NA
+C10127	Anibine	C11H9NO3	203.0582	NA	KEGG	NA	NA
+MJ007287	3-(1H-Indol-3-yl)-2-propenoic acid, 7'-Hydroxy 	C11H9NO3	203.058243	NA	MeJP	NA	NA
+MJ007288	6,7-Methylenedioxyisoquinolone; N-Me 	C11H9NO3	203.058243	NA	MeJP	NA	NA
+MJ007289	8-Hydroxy-2-quinolinecarboxylic acid; Me ether 	C11H9NO3	203.058243	NA	MeJP	NA	NA
+MJ007290	Anibine 	C11H9NO3	203.058243	NA	MeJP	NA	NA
+MJ007291	?-Oxo-1H-indole-3-propanoic acid 	C11H9NO3	203.058243	NA	MeJP	NA	NA
+MJ007292	Indolepyruvate 	C11H9NO3	203.058243	NA	MeJP	NA	NA
+MetaCyc01865	indole-3-pyruvate [indole-pyr;indolepyruvic acid;(indol-3-yl)pyruvate;indolepyruvate;3-(indol-3-yl)pyruvate;]	C11H9N1O3	203.058243	35656-49-6	metacyc	NA	NA
+MJ007293	N-(1H-Indole-3-carbonyl)urea 	C10H9N3O2	203.069476	NA	MeJP	NA	NA
+JH159	N-acetyl-D-glucosamine [M+H-H20]+	NA	203.07884	1.39	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH159	N-acetyl-D-glucosamine [M+H-H20]+	NA	203.07884	1.39	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH159	N-acetyl-D-glucosamine [M+H-H20]+	NA	203.07884	1.39	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH159	N-acetyl-D-glucosamine [M+H-H20]+	NA	203.07884	1.39	Inhousejuil11	NA	NA
+CJpos0531	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+	C8H14NO5	203.078875	C18rt(min)=5.1 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0532	N2-acetylaminoadipic acid [(M+H)]+	C8H14NO5	203.078875	C18rt(min)=4.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0533	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+	C8H14NO5	203.078875	C18rt(min)=4.55 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0531	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+	C8H14NO5	203.078875	C18rt(min)=5.1 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0532	N2-acetylaminoadipic acid [(M+H)]+	C8H14NO5	203.078875	C18rt(min)=4.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0533	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M+H)]+	C8H14NO5	203.078875	C18rt(min)=4.55 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+2890	neuropeptide inhibitor	GQ	203.079	NA	Inhouse_peptide	NA	peptide
+7610	ACE inhibitor	GQ	203.079	antioxidative	Inhouse_peptide	NA	peptide
+7617	ACE inhibitor	QG	203.079	antioxidative	Inhouse_peptide	NA	peptide
+MJ007294	1,2,7-Trihydroxy-3-(hydroxymethyl)-1H-pyrrolizidine, 1'-Carboxylic acid 	C8H13NO5	203.079372	NA	MeJP	NA	NA
+MJ007295	2,4-Dihydroxy-3,3,4-trimethyl-5-oxo-2-pyrrolidinecarboxylic acid 	C8H13NO5	203.079372	NA	MeJP	NA	NA
+MJ007296	Chitin 	C8H13NO5	203.079372	NA	MeJP	NA	NA
+MJ007297	Oryzacidin 	C8H13NO5	203.079372	NA	MeJP	NA	NA
+MetaCyc01866	N2-acetyl-&alpha;-aminoadipate []	C8H13N1O5	203.079373	NA	metacyc	NA	NA
+C12986	N2-Acetyl-L-aminoadipate	C8H13NO5	203.0794	NA	KEGG	NA	NA
+7919	synthetic peptide	NHH	203.07945	MH2+	Inhouse_peptide	NA	peptide
+CJneg0357	N2-acetylaminoadipic acid [(M-H)]-	C8H12NO5	203.079925	C18rt(min)=4.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0358	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]-	C8H12NO5	203.079925	C18rt(min)=4.55 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0359	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]-	C8H12NO5	203.079925	C18rt(min)=5.1 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0357	N2-acetylaminoadipic acid [(M-H)]-	C8H12NO5	203.079925	C18rt(min)=4.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0358	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]-	C8H12NO5	203.079925	C18rt(min)=4.55 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0359	(ethoxycarbonyl)-hydroxypyrrolidine-carboxylic acid_(methoxyacetyl)-hydroxypyrrolidine-carboxylic acid [(M-H)]-	C8H12NO5	203.079925	C18rt(min)=5.1 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007298	1-Isothiocyanato-7-(methylthio)heptane 	C9H17NS2	203.08024	NA	MeJP	NA	NA
+C15383	(5-Phenyl-1,2,4-triazol-3-yl)urea	C9H9N5O	203.0807	NA	KEGG	NA	NA
+MJ007299	Adenallene 	C9H9N5O	203.080709	NA	MeJP	NA	NA
+MJ007300	Wye base 	C9H9N5O	203.080709	NA	MeJP	NA	NA
+C01365	X-Trp	C11H11N2O2X	203.0821	NA	KEGG	NA	NA
+3200	chymotrypsin inhibitor	PGAY	203.0865	MH2+	Inhouse_peptide	NA	peptide
+8087	peptide derived from tuna cooking juice	PAGY	203.0865	MH2+	Inhouse_peptide	NA	peptide
+PJ000035	GQ 	C7H13N3O4	203.0906	NA	PeJP	NA	NA
+MJ007301	Antibiotic YN 0165JA 	C7H13N3O4	203.090605	NA	MeJP	NA	NA
+MJ007302	1-[4-(Trifluoromethyl)phenyl]-2-propylamine 	C10H12F3N	203.092184	NA	MeJP	NA	NA
+MJ007303	Norfenfluramine 	C10H12F3N	203.092184	NA	MeJP	NA	NA
+C10615	Shihunine	C12H13NO2	203.0946	NA	KEGG	NA	NA
+C11284	Indolebutyric acid	C12H13NO2	203.0946	NA	KEGG	NA	NA
+MJ007304	1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione 	C12H13NO2	203.094628	NA	MeJP	NA	NA
+MJ007305	1H-Indole-3-butanoic acid 	C12H13NO2	203.094628	NA	MeJP	NA	NA
+MJ007306	6,7-Dihydroxy-1-methylisoquinoline; Di-Me ether 	C12H13NO2	203.094628	NA	MeJP	NA	NA
+MJ007307	Norsecurinine 	C12H13NO2	203.094628	NA	MeJP	NA	NA
+MJ007308	Shihunine 	C12H13NO2	203.094628	NA	MeJP	NA	NA
+MJ007309	6,7-Dimethoxy-2-methylisoquinolinium(1+) 	C12H14NO2(+)	203.094628	NA	MeJP	NA	NA
+HMDB02096	3-Indolebutyric acid	C12H13NO2	203.094635	NA	HMDB2010	NA	NA
+HMDB02096	3-Indolebutyric acid	C12H13NO2	203.09464	http://www.hmdb.ca/metabolites/HMDB02096	HMDB	NA	NA
+HMDB02096	3-Indolebutyric acid	C12H13NO2	203.09464	HMDB02096	PFEM_hmdb_metabocards_official	NA	NA
+3168	dipeptidyl peptidase IV inhibitor	PPPP	203.104	MH2+	Inhouse_peptide	NA	peptide
+MJ007310	2-Amino-4-(4-hydroxybenzyl)-1-methyl-1H-imidazole 	C11H13N3O	203.105862	NA	MeJP	NA	NA
+MJ007311	3-(2-Aminoethyl)-1H-indole-5-carboxylic acid; Amide 	C11H13N3O	203.105862	NA	MeJP	NA	NA
+MJ007312	Ciamexon 	C11H13N3O	203.105862	NA	MeJP	NA	NA
+MJ007313	Feprosidnine 	C11H13N3O	203.105862	NA	MeJP	NA	NA
+MJ007314	Sumanirole 	C11H13N3O	203.105862	NA	MeJP	NA	NA
+MetaCyc01867	L-Tryptophanamide []	C11H13N3O1	203.105862	NA	metacyc	NA	NA
+HMDB13318	Tryptophanamide	C11H13N3O	203.105865	NA	HMDB2010	NA	NA
+C00977	L-Tryptophanamide	C11H13N3O	203.1059	NA	KEGG	NA	NA
+7604	ACE inhibitor	KG	203.115	antioxidative	Inhouse_peptide	NA	peptide
+7611	ACE inhibitor	GK	203.115	antioxidative	Inhouse_peptide	NA	peptide
+CJpos0534	Acetylcarnitine (and isomer) [(M+H)]+	C9H18NO4	203.115175	C18rt(min)=1.05 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0535	Acetylcarnitine (and isomer) [(M+H)]+	C9H18NO4	203.115175	C18rt(min)=1.5 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0534	Acetylcarnitine (and isomer) [(M+H)]+	C9H18NO4	203.115175	C18rt(min)=1.05 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0535	Acetylcarnitine (and isomer) [(M+H)]+	C9H18NO4	203.115175	C18rt(min)=1.5 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	http://www.hmdb.ca/metabolites/HMDB00201	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	http://www.hmdb.ca/metabolites/HMDB00201	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	http://www.hmdb.ca/metabolites/HMDB00201	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	http://www.hmdb.ca/metabolites/HMDB00201	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	http://www.hmdb.ca/metabolites/HMDB00201	HMDB	NA	NA
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	NA  ;SYN:1-Amino-2-carboxybenzene; 2-Aminobenzoate; 2-Aminobenzoic acid; 2-Aminophenylacetate; 2-Aminophenylacetic acid; 2-Carboxyaniline; 2-amino-Benzoate; 2-amino-Benzoic acid; Anthranate; Anthranic acid; Anthranilate; Anthranilic acid; Carboxyaniline; H-2-Abz-OH; Kyselina anthranilova; Kyselina o-aminobenzoova; Ortho-amidobenzoate; Ortho-amidobenzoic acid; Ortho-aminobenzoate; Ortho-aminobenzoic acid; Vitamin L; Vitamin L1; anthranilic acid gr; o-Aminobenzoate; o-Aminobenzoic acid; o-Anthranilate; o-Anthranilic acid; o-Carboxyaniline; o-amino-Benzoate; o-amino-Benzoic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	http://www.hmdb.ca/metabolites/HMDB00201	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.11575	HMDB00201	PFEM_hmdb_metabocards_official	NA	NA
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	HMDB	NA	NA
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	HMDB	NA	NA
+HMDB00201	L-Acetylcarnitine	C9H17NO4	203.115753	NA	HMDB2010	NA	NA
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	Inhouse_PFEM	NA	NA
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	Inhouse_PFEM	NA	NA
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	Inhousejuil11	NA	NA
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	Inhousejuil11	NA	NA
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER071	O-acetyl-carnitine	NA	203.115753	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER084	O-acetyl-carnitine	NA	203.115753	RT 2.52 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MJ007315	1,2-Dihydroxy-3,5-bis(hydroxymethyl)-1H-pyrrolizidine 	C9H17NO4	203.115758	NA	MeJP	NA	NA
+MetaCyc01868	(-)O-acetylcarnitine [O-acetylcarnitine;]	C9H17N1O4	203.115758	NA	metacyc	NA	NA
+MJ007316	Triacanthine 	C10H13N5	203.117095	NA	MeJP	NA	NA
+MJ007317	Zeatin, Deoxy 	C10H13N5	203.117095	NA	MeJP	NA	NA
+MetaCyc01869	N6-dimethylallyladenine [N(6)-dimethylallyladenine;]	C10H13N5	203.117095	NA	metacyc	NA	NA
+C04083	N6-(delta2-Isopentenyl)-adenine	C10H13N5	203.1171	NA	KEGG	NA	NA
+C08435	Triacanthine	C10H13N5	203.1171	NA	KEGG	NA	NA
+CJpos0536	Heptylmalonic acid  [(M+H)]+ (13C)	C913CH19O4	203.123275	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0536	Heptylmalonic acid  [(M+H)]+ (13C)	C913CH19O4	203.123275	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0360	Sebacic acid [M-H]- (13C)	C9[13C]H17O4	203.124425	C18rt(min)=7.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0361	Heptylmalonic acid  [(M-H)]- (13C)	C913CH17O4	203.124425	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0360	Sebacic acid [M-H]- (13C)	C9[13C]H17O4	203.124425	C18rt(min)=7.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0361	Heptylmalonic acid  [(M-H)]- (13C)	C913CH17O4	203.124425	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000036	GK 	C8H17N3O3	203.127	NA	PeJP	NA	NA
+MJ007318	2-Methyl-4-(3-indolyl)-1-butanol 	C13H17NO	203.131014	NA	MeJP	NA	NA
+MJ007319	2-Nonene-6,8-diynoic acid, 2-Methylpropylamide 	C13H17NO	203.131014	NA	MeJP	NA	NA
+MJ007320	6,7-Dihydro-1,3,6,6-tetramethyl-8(5H)-isoquinolinone 	C13H17NO	203.131014	NA	MeJP	NA	NA
+MJ007321	Crotamiton 	C13H17NO	203.131014	NA	MeJP	NA	NA
+C17253	9-Methylthiononanaldoxime	C10H21NOS	203.1344	NA	KEGG	NA	NA
+MJ007322	N-(5-Amino-6,7-dihydroxyheptyl)ethanimidamide 	C9H21N3O2	203.163376	NA	MeJP	NA	NA
+MJ007323	1-Phenylcyclohexylamine; N-Et 	C14H21N	203.167399	NA	MeJP	NA	NA
+MJ007324	8-Methyl-5-(4-pentenyl)indolizidine; 2',3'Z,4',5'-Tetradehydro 	C14H21N	203.167399	NA	MeJP	NA	NA
+MJ007325	Dendrobates Alkaloid 203 	C14H21N	203.167399	NA	MeJP	NA	NA
+C15125	N-(Cyclohexylmethyl)-N-methylbenzenamine	C14H21N	203.1674	NA	KEGG	NA	NA
+CJpos0537	Spermine [(M+H)]+ (13C)	C913CH27N4	203.218575	C18rt(min)=0.69 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0537	Spermine [(M+H)]+ (13C)	C913CH27N4	203.218575	C18rt(min)=0.69 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+7906	synthetic peptide	HDH	203.57145	MH2+	Inhouse_peptide	NA	peptide
+7978	synthetic peptide	DHH	203.57145	MH2+	Inhouse_peptide	NA	peptide
+3557	ACE inhibitor	FNQ	203.58445	MH2+	Inhouse_peptide	NA	peptide
+3065	fragment of bovine beta-casein 191-193	LLY	203.6155	MH2+	Inhouse_peptide	NA	peptide
+7657	ACE inhibitor from human plasma	LIY	203.6155	MH2+	Inhouse_peptide	NA	peptide
+MJ007326	1-Bromo-1,3-dichloro-2-propanone 	C3H3BrCl2O	203.874432	NA	MeJP	NA	NA
+MJ007327	3-Bromo-1,1-dichloro-2-propanone 	C3H3BrCl2O	203.874432	NA	MeJP	NA	NA
+MJ007328	2-Bromo-1,3,5-benzenetriol 	C6H5BrO3	203.942206	NA	MeJP	NA	NA
+MJ007329	2-Bromo-5,6-epoxy-4-hydroxy-2-cyclohexen-1-one 	C6H5BrO3	203.942206	NA	MeJP	NA	NA
+MJ007330	3,5-Dichloro-4-hydroxybenzaldehyde; Me ether 	C8H6Cl2O2	203.974484	NA	MeJP	NA	NA
+MJ007331	Hydroxymethoxybenzenesulfonic acid 	C7H8O5S	204.009244	NA	MeJP	NA	NA
+CJneg0362	Methoxysalicylic acid isomer [(M+Cl)]-	C8H8ClO4	204.019525	C18rt(min)=6.9 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0362	Methoxysalicylic acid isomer [(M+Cl)]-	C8H8ClO4	204.019525	C18rt(min)=6.9 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C11164	CCCP	C9H5ClN4	204.0203	NA	KEGG	NA	NA
+MJ007332	Aluminium acetate 	C6H9AlO6	204.021451	NA	MeJP	NA	NA
+C05533	Oxaloglutarate	C7H8O7	204.027	NA	KEGG	NA	NA
+C05535	alpha-Aminoadipoyl-S-acyl enzyme	C6H10NO3SR	204.027	NA	KEGG	NA	NA
+MJ007333	Oxaloglutarate 	C7H8O7	204.027002	NA	MeJP	NA	NA
+MJ007334	Daucic acid 	C7H8O7	204.027002	NA	MeJP	NA	NA
+MetaCyc01870	oxalo-glutarate []	C7H8O7	204.027003	NA	metacyc	NA	NA
+C14195	4-Chloro-4'-biphenylol	C12H9ClO	204.0342	NA	KEGG	NA	NA
+C14755	2-Chloro-4-biphenylol	C12H9ClO	204.0342	NA	KEGG	NA	NA
+C15202	2'-Chloro-4-biphenylol	C12H9ClO	204.0342	NA	KEGG	NA	NA
+MJ007335	4-Hydroxy-2-mercapto-6-phenylpyrimidine 	C10H8N2OS	204.035733	NA	MeJP	NA	NA
+MJ007336	1,4-Dihydroxy-2-naphthoate 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007337	2,5-Dihydroxy-1,4-naphthoquinone; 2-Me ether 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007338	2,7-Dihydroxy-5-methyl-1,4-naphthoquinone 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007339	2,8-Dihydroxy-1,4-naphthoquinone; 2-Me ether 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007340	3,5-Dihydroxy-2-methyl-1,4-naphthoquinone 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007341	5,6-Dihydroxy-2-methyl-1,4-naphthoquinone 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007342	5,8-Dihydroxy-2-methyl-1,4-naphthoquinone 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007343	5-Hydroxy-2-methyl-1,4-naphthoquinone; 2?,3?-Epoxide 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007344	6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; Methylene ether 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007345	6-Acetyl-7-hydroxy-2H-1-benzopyran-2-one 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007346	7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxaldehyde; Me ether 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007347	7-Hydroxy-2H-1-benzopyran-2-one; Ac 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007348	Antibiotic LL-Z 1220 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007349	Cerberinic acid; Me ester 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MJ007350	Murrayacarpin A; 1'-Aldehyde 	C11H8O4	204.042258	NA	MeJP	NA	NA
+MetaCyc01871	1,4-dihydroxy-2-naphthoate [DHNA;]	C11H8O4	204.042259	NA	metacyc	NA	NA
+C03657	1,4-Dihydroxy-2-naphthoate	C11H8O4	204.0423	NA	KEGG	NA	NA
+C03658	1-Hydroxyalkyl-sn-glycerol	C4H9O4R	204.0423	NA	KEGG	NA	NA
+C06986	Spirodilactone	C11H8O4	204.0423	NA	KEGG	NA	NA
+C10335	Droserone	C11H8O4	204.0423	NA	KEGG	NA	NA
+C14093	1,2-Dihydroxy-8-carboxynaphthalene	C11H8O4	204.0423	NA	KEGG	NA	NA
+C17018	1,4-Dihydroxy-6-naphthoate	C11H8O4	204.0423	NA	KEGG	NA	NA
+MJ007351	2,6-Dichloro-7-methyl-3-methylene-1,6-octadiene 	C10H14Cl2	204.047255	NA	MeJP	NA	NA
+HMDB06784	Lipoylprotein	C8H14NOS2	204.05168	http://www.hmdb.ca/metabolites/HMDB06784	HMDB	NA	NA
+HMDB06877	Lipoamide-E	C8H14NOS2	204.05168	http://www.hmdb.ca/metabolites/HMDB06877	HMDB	NA	NA
+HMDB06784	Lipoylprotein	C8H14NOS2	204.05168	HMDB06784	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06877	Lipoamide-E	C8H14NOS2	204.05168	HMDB06877	PFEM_hmdb_metabocards_official	NA	NA
+MJ007352	Cistanin; 7-Deoxy, 7?-chloro 	C9H13ClO3	204.055321	NA	MeJP	NA	NA
+MJ007353	8-(2-Thienyl)-3,5-octadien-7-yn-1-ol 	C12H12OS	204.060885	NA	MeJP	NA	NA
+7615	ACE inhibitor	GE	204.063	antioxidative	Inhouse_peptide	NA	peptide
+7622	ACE inhibitor	EG	204.063	antioxidative	Inhouse_peptide	NA	peptide
+MJ007354	3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one 	C8H12O6	204.063388	NA	MeJP	NA	NA
+MJ007355	Riburonic acid; ?-D-Furanose-form, 2,3-O-Isopropylidene 	C8H12O6	204.063388	NA	MeJP	NA	NA
+7606	ACE inhibitor	DA	204.0639	antioxidative	Inhouse_peptide	NA	peptide
+MJ007356	Indeno[1,2,3-ij][2,7]naphthyridine 	C14H8N2	204.068748	NA	MeJP	NA	NA
+C07070	Levamisole	C11H12N2S	204.0721	NA	KEGG	NA	NA
+MJ007357	Tetramisole 	C11H12N2S	204.072119	NA	MeJP	NA	NA
+PJ000037	GE 	C7H12N2O5	204.0746	NA	PeJP	NA	NA
+HMDB11162	L-beta-aspartyl-L-alanine	C7H12N2O5	204.074615	NA	HMDB2010	NA	NA
+HMDB11667	5-L-Glutamylglycine	C7H12N2O5	204.074615	NA	HMDB2010	NA	NA
+MJ007358	N?-Aspartylalanine; L-L-form 	C7H12N2O5	204.074621	NA	MeJP	NA	NA
+MJ007359	Trehalamine 	C7H12N2O5	204.074621	NA	MeJP	NA	NA
+MetaCyc01872	glycyl-L-glutamate [glycyl-L-glutamic acid;gly-glu;]	C7H12N2O5	204.074622	7412-78-4	metacyc	NA	NA
+C09921	3-Butylidene-7-hydroxyphthalide	C12H12O3	204.0786	NA	KEGG	NA	NA
+MJ007360	2,2-Dimethyl-2H-1-benzopyran-6-carboxylic acid 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007361	2,3-Dihydro-1-methoxy-6-methyl-3-oxo-1H-indene-4-carboxaldehyde 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007362	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-5-benzofurancarboxaldehyde; 2,3-Didehydro 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007363	2,3-Dihydro-3-hydroxy-2-(1-methylethenyl)-5-benzofurancarboxaldehyde 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007364	2,8-Decadiene-4,6-diyne-1,10-diol, Ac 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007365	3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxaldehyde 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007366	3,4-Dihydro-4-hydroxy-2-naphthalenecarboxylic acid, Me ether 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007367	3-Butylidene-1(3H)-isobenzofuranone, 9-Hydroxy 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007368	3-Butylidene-1(3H)-isobenzofuranone, 5-Hydroxy 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007369	3-Butylidene-1(3H)-isobenzofuranone, 7-Hydroxy 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007370	3-Butylidene-1(3H)-isobenzofuranone, 9-Hydroxy 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007371	4,6-Dihydroxy-5-vinylbenzofuran; Di-Me ether 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007372	4-Hydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Me ether 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007373	4-Hydroxy-5,6-dodecadiene-8,10-diynoic acid 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007374	4-Hydroxy-5,6-undecadiene-8,10-diynoic acid, Me ester 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007375	6-Methyl-1,2,8-naphthalenetriol; 1-Me ether 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007376	6-Methyl-3-benzofuranmethanol; Ac 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007377	Fomannoxin, 4''-Carboxylic acid 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007378	Frustulosin; 1'-Alcohol 	C12H12O3	204.078644	NA	MeJP	NA	NA
+MJ007379	Ligustilide; 4,5-Didehydro, 7-hydroxy 	C12H12O3	204.078644	NA	MeJP	NA	NA
+C17224	2-Oxo-8-methylthiooctanoic acid	C9H16O3S	204.082	NA	KEGG	NA	NA
+2736	regulating phosphoinositole mechanism peptide	GFW	204.084	MH2+	Inhouse_peptide	NA	peptide
+PFEM082F1	tryptophan	F1	204.0854	NA	Inhouse_original	NA	NA
+MJ007380	3,6-Bis[(aminooxy)methyl]-2,5-piperazinedione 	C6H12N4O4	204.085854	NA	MeJP	NA	NA
+JH137	Tryptophan [M+H]+	C11H12N2O2	204.0893	7.04	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH137	Tryptophan [M+H]+	C11H12N2O2	204.0893	7.04	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH137	Tryptophan [M+H]+	C11H12N2O2	204.0893	7.04	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH137	Tryptophan [M+H]+	C11H12N2O2	204.0893	7.04	Inhousejuil11	NA	NA
+CJpos0538	Tryptophan isomer [(M+H)]+	C11H13N2O2	204.089375	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0538	Tryptophan isomer [(M+H)]+	C11H13N2O2	204.089375	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	http://www.hmdb.ca/metabolites/HMDB00929	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	http://www.hmdb.ca/metabolites/HMDB00929	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	http://www.hmdb.ca/metabolites/HMDB00929	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	http://www.hmdb.ca/metabolites/HMDB00929	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	http://www.hmdb.ca/metabolites/HMDB00929	HMDB	NA	NA
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	Short chain acyl carnitines  ;SYN:Tiglyl-l-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	http://www.hmdb.ca/metabolites/HMDB00929	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00929	L-Tryptophan	C11H12N2O2	204.08987	HMDB00929	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00929	L-Tryptophan	C11H12N2O2	204.089874	NA	HMDB2010	NA	NA
+MJ007381	L-Tryptophan 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007382	Tryptophan 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007383	2-(3-Hydroxypropyl)-4(3H)-quinazolinone 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007384	2-(Dimethylamino)-5-phenyl-4(5H)-oxazolone 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007385	2-(Ethylamino)-5-phenyl-4(5H)-oxazolone 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007386	3-Ethyl-5-phenyl-2,4-imidazolidinedione 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007387	3-Methyl-6-phenyl-2,5-piperazinedione 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007388	4-Amino-6,7-dimethoxyquinoline 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007389	5-Ethyl-5-phenyl-2,4-imidazolinedione 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007390	Cytisine, 11-Oxo 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007391	Idazoxan 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007392	Ledazerol 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007393	Metazamide 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007394	Peganine, N4-Oxide 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007395	Tryptophan 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MJ007396	Vasicinol 	C11H12N2O2	204.089877	NA	MeJP	NA	NA
+MetaCyc01873	D-tryptophan []	C11H12N2O2	204.089878	153-94-6	metacyc	NA	NA
+MetaCyc01874	L-tryptophan [W;tryptacin;trofan;trp;tryptophan;2-amino-3-indolylpropanic acid;]	C11H12N2O2	204.089878	73-22-3	metacyc	NA	NA
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	PFEM_hmdb_metabocards_urine	NA	urine
+EUR038	tryptophan	C11H12N2O2	204.0899	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR631	Tryptophan 	[M+H]+	204.0899	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR038	tryptophan	C11H12N2O2	204.0899	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR631	Tryptophan 	[M+H]+	204.0899	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR038	tryptophan	C11H12N2O2	204.0899	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR631	Tryptophan 	[M+H]+	204.0899	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	HMDB	NA	NA
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	Inhouse_PFEM	NA	NA
+EUR038	tryptophan	C11H12N2O2	204.0899	Wishlist	Inhousejuil11	NA	NA
+EUR631	Tryptophan 	[M+H]+	204.0899	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	Inhousejuil11	NA	NA
+C00078	L-Tryptophan	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C00525	D-Tryptophan	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C00806	Tryptophan	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C00807	Xyloglucan	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C07839	Ethotoin	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C10743	Vasicinol	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C10968	Idazoxan	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+C14916	Nirvanol	C11H12N2O2	204.0899	NA	KEGG	NA	NA
+PJ000038	W 	C11H12N2O2	204.0899	NA	PeJP	NA	NA
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	PFEM_hmdb_metabocards_blood	NA	blood
+LABER004	Tryptophan	NA	204.0899	RT 13.07 fragt 205, 146, 91, 115, 118	PFEM_hmdb_metabocards_official	NA	NA
+EUR560	Tryptophan	[M+H]+	204.090175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR560	Tryptophan	[M+H]+	204.090175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR560	Tryptophan	[M+H]+	204.090175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR560	Tryptophan	[M+H]+	204.090175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+CJneg0363	Tryptophan isomer [(M-H)]-	C11H11N2O2	204.090425	C18rt(min)=5.26 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0363	Tryptophan isomer [(M-H)]-	C11H11N2O2	204.090425	C18rt(min)=5.26 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR360	Tryptophan F1	NA	204.092275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR360	Tryptophan F1	NA	204.092275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR360	Tryptophan F1	NA	204.092275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR360	Tryptophane	C11H12N2O2	204.092275	205.099475	Inhouse_sept12	NA	NA
+EUR360	Tryptophan F1	NA	204.092275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR360	Tryptophan F1	C11H12N2O2	204.092275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ007397	2-(2,4-Hexadiynyl)naphthalene 	C16H12	204.0939	NA	MeJP	NA	NA
+C06385	Dimethylenetriurea	C5H12N6O3	204.0971	NA	KEGG	NA	NA
+MJ007398	2,6-Dideoxy-3-C-methyl-arabino-hexose, 4-Ac 	C9H16O5	204.099773	NA	MeJP	NA	NA
+MJ007399	2,6-Dideoxy-3-C-methyl-ribo-hexose, 4-Ac 	C9H16O5	204.099773	NA	MeJP	NA	NA
+MJ007400	4-C-Acetyl-2,6-dideoxy-xylo-hexose; ?-L-Pyranose-form, Me glycoside 	C9H16O5	204.099773	NA	MeJP	NA	NA
+MJ007401	4-C-Acetyl-2,6-dideoxy-xylo-hexose; ?-L-Pyranose-form, Me glycoside 	C9H16O5	204.099773	NA	MeJP	NA	NA
+MJ007402	5-Deoxy-3-C-hydroxymethyllyxose; ?-L-Furanose-form, 1,2-O-Isopropylidene 	C9H16O5	204.099773	NA	MeJP	NA	NA
+C04586	Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate	C9H16O5	204.0998	NA	KEGG	NA	NA
+C04587	Diethyl (2S,3R)-2-methyl-3-hydroxysuccinate	C9H16O5	204.0998	NA	KEGG	NA	NA
+MJ007403	Solsodomine A 	C10H12N4O	204.101111	NA	MeJP	NA	NA
+8033	synthetic peptide	PHR	204.1055	MH2+	Inhouse_peptide	NA	peptide
+C03955	N6-Acetyl-N6-hydroxy-L-lysine	C8H16N2O4	204.111	NA	KEGG	NA	NA
+C03956	Oligoglycosylglucosylceramide	C19H35NO3R	204.111	NA	KEGG	NA	NA
+C03957	Peptide 3-hydroxy-L-aspartate	C5H6N2O5R2	204.111	NA	KEGG	NA	NA
+C04210	N5-(L-1-Carboxyethyl)-L-ornithine	C8H16N2O4	204.111	NA	KEGG	NA	NA
+PJ000039	SV 	C8H16N2O4	204.111	NA	PeJP	NA	NA
+MJ007404	N6-Acetyl-N6-hydroxy-L-lysine 	C8H16N2O4	204.111007	NA	MeJP	NA	NA
+MJ007405	2,4-Diamino-2,4,6-trideoxygalactose, N2-Ac 	C8H16N2O4	204.111007	NA	MeJP	NA	NA
+MJ007406	2,4-Diamino-2,4,6-trideoxyglucose, 4-N-Ac 	C8H16N2O4	204.111007	NA	MeJP	NA	NA
+MJ007407	2,6-Diamino-5-hydroxyhexanoic acid, N6-Ac 	C8H16N2O4	204.111007	NA	MeJP	NA	NA
+MJ007408	3-Methyl-2,4-pentanediol; Dicarbamate 	C8H16N2O4	204.111007	NA	MeJP	NA	NA
+MJ007409	Lysine, N6-Carboxymethyl 	C8H16N2O4	204.111007	NA	MeJP	NA	NA
+MetaCyc01875	N6-acetyl-N6-hydroxy-L-lysine [N6-acetyl-N6-hydroxylysine;]	C8H16N2O4	204.111007	NA	metacyc	NA	NA
+MetaCyc01876	N5-(L-1-Carboxyethyl)-L-ornithine []	C8H16N2O4	204.111007	NA	metacyc	NA	NA
+2830	PEP inhibitor	PPPV	204.112	MH2+	Inhouse_peptide	NA	peptide
+C07642	Triethylenemelamine	C9H12N6	204.1123	NA	KEGG	NA	NA
+MJ007410	2,4,6-Tri-1-aziridinyl-1,3,5-triazine 	C9H12N6	204.112344	NA	MeJP	NA	NA
+C10702	4'-Hydroxy-3'-prenylacetophenone	C13H16O2	204.115	NA	KEGG	NA	NA
+C16694	Plastoquinone-1	C13H16O2	204.115	NA	KEGG	NA	NA
+MJ007411	1-(5,6-Dihydro-2H-pyran-3-yl)-2-phenylethanol 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007412	1-Phenyl-1,5-heptanedione 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007413	2,2-Dimethyl-2H-1-benzopyran-6-ethanol 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007414	3-Hexen-1-ol, Benzoyl 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007415	3-Phenyl-2-propen-1-ol, Butanoyl 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007416	3a,4-Dihydro-3-(3-methylbutylidene)-1(3H)-isobenzofuranone 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007417	4-(2,4-Hexadienyl)-3-(1-propenyl)-2(5H)-furanone 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007418	4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007419	5,11-Tridecadiene-7,9-diyne-3,4-diol 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007420	6-Acetyl-2,2-dimethyl-2H-1-benzopyran; 1'-Alcohol 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007421	6-Acetyl-2,2-dimethyl-2H-1-benzopyran; 3,4-Dihydro 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007422	Moskachan B; 5'-Deoxo, 5',6'-didehydro 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007423	Myrochromanol 	C13H16O2	204.115029	NA	MeJP	NA	NA
+MJ007424	Ternin 	C13H16O2	204.115029	NA	MeJP	NA	NA
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR406	Acide retinoique F4	NA	204.115075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR406	Acide retinoique F4	NA	204.115075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR406	Acide retinoique F4	NA	204.115075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR406	Acide retinoique F4	NA	204.115075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR406	Retinoic acid F4	F4	204.115075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0539	Acetylcarnitine (and isomer) [(M+H)]+ (13C)	C813CH18NO4	204.118575	C18rt(min)=1.05 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0539	Acetylcarnitine (and isomer) [(M+H)]+ (13C)	C813CH18NO4	204.118575	C18rt(min)=1.05 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C08286	(+)-gamma-Hydroxy-L-homoarginine	C7H16N4O3	204.1222	NA	KEGG	NA	NA
+MJ007425	?-Hydroxyhomoarginine 	C7H16N4O3	204.12224	NA	MeJP	NA	NA
+MJ007426	O-Acetylcarnitine 	C9H18NO4	204.123583	NA	MeJP	NA	NA
+C02571	O-Acetylcarnitine	C9H18NO4	204.1236	NA	KEGG	NA	NA
+MJ007427	3-(2-Dimethylaminoethyl)-4-hydroxyindole 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007428	3-(Dimethylaminomethyl)-5-hydroxyindole; Me ether 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007429	5-Methoxytryptamine; Nb-Me 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007430	7-Methoxygramine 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007431	Bufotenine 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007432	Cytisine, N-Me 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007433	N,N-Dimethyltryptamine; Nb-Oxide 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MJ007434	Nebracetam 	C12H16N2O	204.126263	NA	MeJP	NA	NA
+MetaCyc01877	bufotenine [dimethylserotonin;mappine;5-HydroxyN,N-dimethyltryptamine;N,N-dimethyl-5-hydroxytryptamine;mappin;bufotenin;]	C12H16N2O1	204.126263	487-93-4	metacyc	NA	NA
+C08299	Bufotenine	C12H16N2O	204.1263	NA	KEGG	NA	NA
+C08312	Psilocin	C12H16N2O	204.1263	NA	KEGG	NA	NA
+C10760	Caulophylline	C12H16N2O	204.1263	NA	KEGG	NA	NA
+MJ007435	3,7-Dimethyl-3-octene-1,2,6,7-tetrol 	C10H20O4	204.136159	NA	MeJP	NA	NA
+MJ007436	3,7-Dimethyl-6-octene-1,2,3,8-tetrol 	C10H20O4	204.136159	NA	MeJP	NA	NA
+MJ007437	5-Butyl-1,2,3,5-cyclohexanetetrol 	C10H20O4	204.136159	NA	MeJP	NA	NA
+MJ007438	7-Methyl-3-methylene-1,2,6,7-octanetetrol 	C10H20O4	204.136159	NA	MeJP	NA	NA
+MJ007439	p-Menthane-1,2,3,4-tetrol 	C10H20O4	204.136159	NA	MeJP	NA	NA
+MJ007440	p-Menthane-1,2,8,9-tetrol 	C10H20O4	204.136159	NA	MeJP	NA	NA
+MJ007441	2,6-Diamino-5-hydroxyhexanoic acid, N6-Tri-Me, betaine 	C9H20N2O3	204.147392	NA	MeJP	NA	NA
+MJ007442	12-Nor-5-zizaen-2-one 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007443	12-Nor-6(13)-zizaen-2-one 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007444	13-Tetradecene-2,4-diyn-1-ol 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007445	4-Octylphenol; 3',4'-Didehydro(E-) 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007446	4-Octylphenol; 4',5'-Didehydro(E-) 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007447	5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007448	6,7-Epoxy-1,3-tetradecadiyne 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007449	Bornelone 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007450	Chamaecynenol 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007451	Cyclomenol 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007452	Khusitene, 11-Oxo 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007453	Mayurone 	C14H20O	204.151415	NA	MeJP	NA	NA
+MJ007454	1,3-Dibutoxy-2-propanol 	C11H24O3	204.172544	NA	MeJP	NA	NA
+MJ007455	Ethambutol 	C10H24N2O2	204.183778	NA	MeJP	NA	NA
+C06984	Ethambutol	C10H24N2O2	204.1838	NA	KEGG	NA	NA
+C06985	Transferred to D00314	C10H24N2O2	204.1838	NA	KEGG	NA	NA
+C01841	Pentalenene	C15H24	204.1878	NA	KEGG	NA	NA
+C01860	Trichodiene	C15H24	204.1878	NA	KEGG	NA	NA
+C02004	Aristolochene	C15H24	204.1878	NA	KEGG	NA	NA
+C02005	Artiopeptin I	C15H24	204.1878	NA	KEGG	NA	NA
+C06394	(+)-delta-Cadinene	C15H24	204.1878	NA	KEGG	NA	NA
+C06395	[Protein]-L-serine	C4H6N2O3R2	204.1878	NA	KEGG	NA	NA
+C06396	[Protein]-D-serine	C4H6N2O3R2	204.1878	NA	KEGG	NA	NA
+C09625	beta-Cadinene	C15H24	204.1878	NA	KEGG	NA	NA
+C09629	beta-Caryophyllene	C15H24	204.1878	NA	KEGG	NA	NA
+C09630	alpha-Cedrene	C15H24	204.1878	NA	KEGG	NA	NA
+C09635	alpha-Chamigrene	C15H24	204.1878	NA	KEGG	NA	NA
+C09637	beta-Chamigrene	C15H24	204.1878	NA	KEGG	NA	NA
+C09639	alpha-Copaene	C15H24	204.1878	NA	KEGG	NA	NA
+C09647	alpha-Cubebene	C15H24	204.1878	NA	KEGG	NA	NA
+C09648	beta-Cubebene	C15H24	204.1878	NA	KEGG	NA	NA
+C09665	alpha-Farnesene	C15H24	204.1878	NA	KEGG	NA	NA
+C09666	beta-Farnesene	C15H24	204.1878	NA	KEGG	NA	NA
+C09672	Germacrene B	C15H24	204.1878	NA	KEGG	NA	NA
+C09684	Humulene	C15H24	204.1878	NA	KEGG	NA	NA
+C09691	Isocaryophyllene	C15H24	204.1878	NA	KEGG	NA	NA
+C09699	Longifolene	C15H24	204.1878	NA	KEGG	NA	NA
+C09718	beta-Santalene	C15H24	204.1878	NA	KEGG	NA	NA
+C09723	beta-Selinene	C15H24	204.1878	NA	KEGG	NA	NA
+C09740	Thujopsene	C15H24	204.1878	NA	KEGG	NA	NA
+C09749	alpha-Ylangene	C15H24	204.1878	NA	KEGG	NA	NA
+C09750	Zingiberene	C15H24	204.1878	NA	KEGG	NA	NA
+C12142	Vetispiradiene	C15H24	204.1878	NA	KEGG	NA	NA
+C16028	Amorpha-4,11-diene	C15H24	204.1878	NA	KEGG	NA	NA
+C16029	Cocaine- and Amphetamine- regulated transcript (42-89)	C15H24	204.1878	NA	KEGG	NA	NA
+C16030	Melanin-concentrating hormone	C15H24	204.1878	NA	KEGG	NA	NA
+C16031	Neuropeptide GE	C15H24	204.1878	NA	KEGG	NA	NA
+C16032	Neuropeptide W-30	C15H24	204.1878	NA	KEGG	NA	NA
+C16033	Neuropeptide W-23	C15H24	204.1878	NA	KEGG	NA	NA
+C16034	Neuropeptide B-29	C15H24	204.1878	NA	KEGG	NA	NA
+C16035	Neuropeptide B-23	C15H24	204.1878	NA	KEGG	NA	NA
+C16036	Neuropeptide S	C15H24	204.1878	NA	KEGG	NA	NA
+C16037	Leumorphin	C15H24	204.1878	NA	KEGG	NA	NA
+C16141	(+)-Germacrene A	C15H24	204.1878	NA	KEGG	NA	NA
+C16142	(-)-Germacrene D	C15H24	204.1878	NA	KEGG	NA	NA
+C16269	(+)-epi-Isozizaene	C15H24	204.1878	NA	KEGG	NA	NA
+C16775	beta-Bisabolene	C15H24	204.1878	NA	KEGG	NA	NA
+C16776	beta-Sesquiphellandrene	C15H24	204.1878	NA	KEGG	NA	NA
+C16814	gamma-Bisabolene	C15H24	204.1878	NA	KEGG	NA	NA
+C16815	alpha-Cadinene	C15H24	204.1878	NA	KEGG	NA	NA
+C16829	gamma-Humulene	C15H24	204.1878	NA	KEGG	NA	NA
+C16830	D-Aldonolactone	C15H24	204.1878	NA	KEGG	NA	NA
+C17065	Sesquicarene	C15H24	204.1878	NA	KEGG	NA	NA
+C17088	alpha-Bergamotene	C15H24	204.1878	NA	KEGG	NA	NA
+C17094	beta-Elemene	C15H24	204.1878	NA	KEGG	NA	NA
+C17120	beta-Gurjunene	C15H24	204.1878	NA	KEGG	NA	NA
+C17277	(+)-Valencene	C15H24	204.1878	NA	KEGG	NA	NA
+C17505	Cyperene	C15H24	204.1878	NA	KEGG	NA	NA
+MJ007456	1(10),11-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007457	1(10),11-Eremophiladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007458	1(10),11-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007459	1(10),11-Spirovetivadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007460	1(10),3-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007461	1(10),4(15),5-Germacratriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007462	1(10),4,11-Germacratriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007463	1(10),4,6-Germacratriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007464	1(10),4,7(11)-Germacratriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007465	1(10),4-Amorphadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007466	1(10),4-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007467	1(10),4-Lepidozadien-15-al, Deoxo 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007468	1(10),5,11-Germacratriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007469	1(10),7(11)-Eremophiladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007470	1(10),7(11)-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007471	1(10)-Aristolene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007472	1(10)-Aromadendrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007473	1(5),11-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007474	1(5),6-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007475	1(5),7(11)-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007476	1(6),4-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007477	1(6),5(10)-Brasiladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007478	1,2,3,4,4a,5,6,7-Octahydro-4a,5-dimethyl-2-(1-methylethenyl)naphthalene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007479	1,3(15),10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007480	1,3(15),6,10-Farnesatetraene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007481	1,3(15),6-Humulatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007482	1,3(15)-Himachaladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007483	1,3,10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007484	1,3,11-Elematriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007485	1,3,6,10-Farnesatetraene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007486	1,3,6-Elematriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007487	1,3,7(11)-Elematriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007488	1,3-Himachaladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007489	1,4-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007490	1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007491	1,5,7(11)-Elematriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007492	1,6-Himachaladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007493	1,7(14),10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007494	1-Africanene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007495	1-Aromadendrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007496	1-Methyl-4-(1,2,2-trimethylcyclopentyl)-1,3-cyclohexadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007497	1-Methyl-4-(1,2,2-trimethylcyclopentyl)-1,4-cyclohexadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007498	1-Silphinene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007499	10(14)-Aromadendrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007500	10-Panasinsanene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007501	11(1?10)-Abeo-1(5)-patchoulene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007502	11-Bourbonene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007503	11-Rotundene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007504	2,4,6,10-Farnesatetraene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007505	2,5,11-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007506	2,6,10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007507	2,6,9-Humulatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007508	2,6-Himachaladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007509	2,7(14),10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007510	2,7(14),9-Humulatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007511	2,7(14)-Chamigradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007512	2,7(14)-Himachaladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007513	2,7,10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007514	2,7,9-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007515	2,7-Chamigradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007516	2,7-Himachaladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007517	2-Isocomene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007518	2-Modhephene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007519	2-Rossalene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007520	2-Sterpurene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007521	3(13)-Isocomene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007522	3(15),6-Astericadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007523	3(15),6-Caryophylladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007524	3(15),7(14),10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007525	3(15)-Africanene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007526	3(15)-Cedrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007527	3(15)-Gymnomitrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007528	3(15)-Panasinsanene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007529	3,10(14)-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007530	3,10(14)-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007531	3,10(14)-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007532	3,10-Precapnelladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007533	3,11-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007534	3,11-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007535	3,5,10-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007536	3,5-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007537	3,5-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007538	3,5-Eudesmadiene; 10?-form 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007539	3,5-Muuroladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007540	3,7(11)-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007541	3,7(11)-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007542	3,9-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007543	3-Bourbonene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007544	3-Cedrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007545	3-Copaene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007546	3-Cubebene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007547	3-Gymnomitrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007548	3-Longipinene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007549	3-Patchoulene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007550	3-Thujopsene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007551	4(11),8-Daucadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007552	4(15),10(14)-Bulgaradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007553	4(15),10(14)-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007554	4(15),10(14)-Muuroladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007555	4(15),11-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007556	4(15),5,11-Muurolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007557	4(15),5-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007558	4(15),5-Bulgaradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007559	4(15),5-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007560	4(15),5-Muuroladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007561	4(15),7(11)-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007562	4(15),7-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007563	4(15),9-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007564	4(15)-Bourbonene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007565	4(15)-Cubebene, 11-Hydroxy 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007566	4(15)-Hirsutene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007567	4,10(14)-Amorphadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007568	4,10(14)-Muuroladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007569	4,10(15)-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007570	4,11(13)-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007571	4,11-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007572	4,11-Amorphadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007573	4,11-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007574	4,11-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007575	4,6,10(15)-Germacratriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007576	4,6-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007577	4,6-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007578	4,7(11)-Acoradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007579	4,7(11)-Amorphadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007580	4,7(11)-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007581	4,8-Daucadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007582	4,9-Amorphadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007583	4,9-Bulgaradiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007584	4,9-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007585	4,9-Muuroladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007586	4-Aromadendrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007587	4-Patchoulen-15-ol; Deoxy 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007588	5(10),6-Brasiladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007589	5,10-Brasiladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007590	5,10-Pinguisadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007591	5,11-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007592	5,7(14),8-Bisabolatriene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007593	5-Africanene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007594	5-Ethyl-3,7-dimethyl-2,4,6,8-undecatetraene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007595	5-Silphiperfolene; 7?H-form 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007596	5-Silphiperfolene; 7àH-form 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007597	6(13)-Zizaene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007598	6(8),7(11)-Valerenadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007599	6,10(14)-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007600	6,11-Eudesmadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007601	6,9-Guaiadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007602	6-Protoilludene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007603	6-Silphiperfolene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007604	7(12)-Sativene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007605	7(15)-Sinularene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007606	7-Cedrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007607	7-Ethyl-3,5-dimethyl-2,4,6,8-undecatetraene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007608	7-Presilphiperfolene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007609	8,11-Daucadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007610	9(12)-Capnellene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007611	9,11-Cadinadiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007612	9,11-Eremophiladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007613	9-Aristolene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007614	9-Aromadendrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007615	9-Patchoulene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007616	?-Bergamotene; trans-form 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007617	?-Duprezianene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007618	?-Gorgonene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007619	?-Maaliene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007620	?-Microbiotene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007621	?-Neoclovene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007622	?-Santala-3(15),10-diene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007623	Bicycloelemene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007624	Bicyclogermacrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007625	Caridiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007626	Cascarilladiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007627	Chenopodene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007628	Clovene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007629	Cyclocopacamphane 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007630	Cyclomyltaylenol; Deoxy 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007631	Cyclosativene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007632	Cycloseychellene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007633	Cyclosinularane 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007634	Dehydro-?-monocyclonerolidol 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007635	Erythrodiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007636	Ishwarane 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007637	Isoclovene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007638	Isolongifolene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007639	Italicene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007640	Kelsoene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007641	Longicyclene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007642	Longifolene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007643	Neoclovene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007644	Pentalenene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007645	Prezizaene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007646	Pseudoclovene B 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007647	Senoxydene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007648	Sesquicarene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007649	Sesquisabinene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007650	Seychellene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007651	Spirolepechinene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007652	Stachynene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007653	Striatene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007654	Tridensene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007655	?-Bergamotene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007656	?-Duprezianene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007657	?-Microbiotene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007658	?-Pseudowiddrene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007659	?-Santal-10-ene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007660	?-Cuprenene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007661	Aristolochene 	C15H24	204.1878	NA	MeJP	NA	NA
+MJ007662	Trichodiene 	C15H24	204.1878	NA	MeJP	NA	NA
+MetaCyc01878	trichodiene []	C15H24	204.187801	28624-60-4	metacyc	NA	NA
+MetaCyc01879	pentalenene [cyclopenta[c]pentalene;]	C15H24	204.187801	NA	metacyc	NA	NA
+MetaCyc01880	(+)-&delta;-cadinene []	C15H24	204.187801	NA	metacyc	NA	NA
+MetaCyc01881	aristolochene []	C15H24	204.187801	26620-71-3	metacyc	NA	NA
+MetaCyc01882	vetispiradiene []	C15H24	204.187801	NA	metacyc	NA	NA
+MetaCyc01883	5-epi-aristolochene [5-epiaristolochene;]	C15H24	204.187801	NA	metacyc	NA	NA
+MetaCyc01884	amorpha-4,11-diene []	C15H24	204.187801	NA	metacyc	NA	NA
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	PFEM_hmdb_metabocards_urine	NA	urine
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	HMDB	NA	NA
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	Inhouse_PFEM	NA	NA
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	PFEM_hmdb_metabocards_blood	NA	blood
+TEST001	 N?(carboxymethyl)lysine (CML)    +sucre (glucose/fructose/galactose ?)	C8H16N2O4	204.22364	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=123800	PFEM_hmdb_metabocards_official	NA	NA
+C11041	2,6-Dichlorothiobenzamide	C7H5Cl2NS	204.952	NA	KEGG	NA	NA
+C12284	Saccharin sodium anhydrous	C7H4NO3S	204.981	NA	KEGG	NA	NA
+MJ007663	N-Chloro-4-methylbenzenesulfonamide 	C7H8ClNO2S	204.996426	NA	MeJP	NA	NA
+JH177	Glucosamine 6-phosphate [M+H-3H2O]+	NA	205.0135	1.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH177	Glucosamine 6-phosphate [M+H-3H2O]+	NA	205.0135	1.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH177	Glucosamine 6-phosphate [M+H-3H2O]+	NA	205.0135	1.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH177	Glucosamine 6-phosphate [M+H-3H2O]+	NA	205.0135	1.21	Inhousejuil11	NA	NA
+MJ007664	2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; Aldehyde 	C10H7NO2S	205.019749	NA	MeJP	NA	NA
+MJ007665	4-Amino-2-methyl-5-phosphomethylpyrimidine 	C5H8N3O4P	205.025242	NA	MeJP	NA	NA
+CJpos0540	Xanthurenic acid [(M+H)]+	C10H8NO4	205.036975	C18rt(min)=5.11 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0540	Xanthurenic acid [(M+H)]+	C10H8NO4	205.036975	C18rt(min)=5.11 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	PFEM_hmdb_metabocards_urine	NA	urine
+JH139	Xanthurenic acid [M+H]+	C10H7NO4	205.037	12.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH139	Xanthurenic acid [M+H]+	C10H7NO4	205.037	12.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH139	Xanthurenic acid [M+H]+	C10H7NO4	205.037	12.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	HMDB	NA	NA
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	Inhouse_PFEM	NA	NA
+JH139	Xanthurenic acid [M+H]+	C10H7NO4	205.037	12.46	Inhousejuil11	NA	NA
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	PFEM_hmdb_metabocards_blood	NA	blood
+JH139	Xanthurenic acid 	C10H7NO4	205.037	Rtobs12.46	PFEM_hmdb_metabocards_official	NA	NA
+C02470	Xanthurenic acid	C10H7NO4	205.0375	NA	KEGG	NA	NA
+C02471	[Glu(-Cys)]n-Gly	C2H5NO2	205.0375	NA	KEGG	NA	NA
+C02472	alpha-D-Fucoside	C6H11O5R	205.0375	NA	KEGG	NA	NA
+C02473	alpha-D-Lyxoside	C5H9O5R	205.0375	NA	KEGG	NA	NA
+C02474	alpha-L-Arabinan	C5H9O5R	205.0375	NA	KEGG	NA	NA
+C02475	alpha-L-Fucoside	C6H11O5R	205.0375	NA	KEGG	NA	NA
+C05663	6-Hydroxykynurenate	C10H7NO4	205.0375	NA	KEGG	NA	NA
+C08480	6-Hydroxykynurenic acid	C10H7NO4	205.0375	NA	KEGG	NA	NA
+HMDB00881	Xanthurenic acid	C10H7NO4	205.037506	NA	HMDB2010	NA	NA
+MJ007666	6-Hydroxykynurenate 	C10H7NO4	205.037507	NA	MeJP	NA	NA
+MJ007667	Xanthurenic acid 	C10H7NO4	205.037507	NA	MeJP	NA	NA
+MJ007668	2,8-Dihydroxy-4-quinolinecarboxylic acid 	C10H7NO4	205.037507	NA	MeJP	NA	NA
+MJ007669	3,4-Dihydroxy-2-quinolinecarboxylic acid 	C10H7NO4	205.037507	NA	MeJP	NA	NA
+MJ007670	4,6-Dihydroxy-2-quinolinecarboxylic acid 	C10H7NO4	205.037507	NA	MeJP	NA	NA
+MetaCyc01885	xanthurenate []	C10H7N1O4	205.037508	NA	metacyc	NA	NA
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	http://www.hmdb.ca/metabolites/HMDB00881	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	http://www.hmdb.ca/metabolites/HMDB00881	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	http://www.hmdb.ca/metabolites/HMDB00881	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	http://www.hmdb.ca/metabolites/HMDB00881	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	http://www.hmdb.ca/metabolites/HMDB00881	HMDB	NA	NA
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	http://www.hmdb.ca/metabolites/HMDB00881	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00881	Xanthurenic acid	C10H7NO4	205.03751	HMDB00881	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0364	Xanthurenic acid [(M-H)]-	C10H6NO4	205.038025	C18rt(min)=5.11 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0364	Xanthurenic acid [(M-H)]-	C10H6NO4	205.038025	C18rt(min)=5.11 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007671	Hexahydro-1,4-thiazepine-3,5-dicarboxylic acid 	C7H11NO4S	205.040878	NA	MeJP	NA	NA
+MJ007672	N-Acetylcysteine, S-Ac 	C7H11NO4S	205.040878	NA	MeJP	NA	NA
+MJ007673	Telmesteine 	C7H11NO4S	205.040878	NA	MeJP	NA	NA
+JH170	Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+	NA	205.0504	15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH170	Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+	NA	205.0504	15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH170	Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+	NA	205.0504	15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH170	Trimethoxycinnamic acid (3,4,5-) [M+H-H2O-CH3]+	NA	205.0504	15.69	Inhousejuil11	NA	NA
+C00248	Lipoamide	C8H15NOS2	205.0595	NA	KEGG	NA	NA
+MJ007674	1-Isothiocyanato-6-(methylthio)hexane; S-Oxide 	C8H15NOS2	205.059505	NA	MeJP	NA	NA
+MJ007675	3-(1-Methyl-2-pyrrolidinyl)-1,2-dithiolan-4-ol 	C8H15NOS2	205.059505	NA	MeJP	NA	NA
+MJ007676	Lipoamide 	C8H15NOS2	205.059505	NA	MeJP	NA	NA
+MetaCyc01886	lipoamide [5-(1,2-dithiolan-3-yl)-pentanamide;DL-lipoamide;]	C8H15N1O1S2	205.059505	940-69-2	metacyc	NA	NA
+HMDB00962	Lipoamide	C8H15NOS2	205.059509	NA	HMDB2010	NA	NA
+HMDB00962	Lipoamide	C8H15NOS2	205.05951	http://www.hmdb.ca/metabolites/HMDB00962	HMDB	NA	NA
+HMDB00962	Lipoamide	C8H15NOS2	205.05951	HMDB00962	PFEM_hmdb_metabocards_official	NA	NA
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR284	Neopterine F5	NA	205.062475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR284	Neopterine F5	NA	205.062475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR284	Neopterine F5	NA	205.062475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR284	Néoptérine F5	F5	205.062475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR284	Neopterine F5	NA	205.062475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR284	Neopterine F5	F5	205.062475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0541	Cinnamoylglycine [(M+H)]+	C11H12NO3	205.073375	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0541	Cinnamoylglycine [(M+H)]+	C11H12NO3	205.073375	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB00671	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB00671	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB00671	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB00671	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB00671	HMDB	NA	NA
+HMDB04096	5-Methoxyindoleacetate	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB04096	HMDB	NA	NA
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	http://www.hmdb.ca/metabolites/HMDB00671	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00671	Indolelactic acid	C11H11NO3	205.07388	HMDB00671	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04096	5-Methoxyindoleacetate	C11H11NO3	205.07388	HMDB04096	PFEM_hmdb_metabocards_official	NA	NA
+MJ007677	5-Methoxyindoleacetate 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007678	Indolelactate 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007679	1,6,7-Isoquinolinetriol; NH-form, O6,N-Di-Me 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007680	1H-Indole-3-carboxylic acid; N-Methoxy, Me ester 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007681	2,3,4-Quinolinetriol; 3,4-Di-Me ether 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007682	2,3-Dihydro-2-oxo-1H-indole-3-acetic acid, Me ester 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007683	2,4,6-Quinolinetriol; NH-form, N,O4-Di-Me 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007684	2,4,8-Quinolinetriol; 4,8-Di-Me ether 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007685	2,4,8-Quinolinetriol; NH-form, O4,N-di-Me 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007686	2,4-Quinolinediol; 2-One-form, 4-Me ether, N-methoxy 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007687	3,4-Dihydro-6,7-methylenedioxy-1(2H)-isoquinolinone; N-Me 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007688	4-Methoxy-7,8-dimethyl-2H-pyrano[4,3-b]pyridin-2-one 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007689	5-Hydroxy-1H-indole-3-acetic acid; Me ether 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007690	6,8-Dihydroxy-3,4-dimethyl-1(2H)-isoquinolinone 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007691	Cotarnoline 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007692	Gentianamine 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007693	Racemigerine; 6,7-Epoxide 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MJ007694	Scaevoline 	C11H11NO3	205.073893	NA	MeJP	NA	NA
+MetaCyc01887	indole-3-lactate [indole lactate;]	C11H11N1O3	205.073893	1821-52-9	metacyc	NA	NA
+HMDB00671	Indolelactic acid	C11H11NO3	205.073898	NA	HMDB2010	NA	NA
+HMDB04096	5-Methoxyindoleacetate	C11H11NO3	205.073898	NA	HMDB2010	NA	NA
+HMDB11621	Cinnamoylglycine	C11H11NO3	205.073898	NA	HMDB2010	NA	NA
+C02043	Indolelactate	C11H11NO3	205.0739	NA	KEGG	NA	NA
+C05660	5-Methoxyindoleacetate	C11H11NO3	205.0739	NA	KEGG	NA	NA
+C09961	Gentianamine	C11H11NO3	205.0739	NA	KEGG	NA	NA
+C10741	Swietenidin B	C11H11NO3	205.0739	NA	KEGG	NA	NA
+CJneg0365	Cinnamoylglycine [(M-H)]-	C11H10NO3	205.074425	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0365	Cinnamoylglycine [(M-H)]-	C11H10NO3	205.074425	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007695	Tizabrin 	C8H15NO3S	205.077264	NA	MeJP	NA	NA
+MJ007696	Lobendazole 	C10H11N3O2	205.085126	NA	MeJP	NA	NA
+MJ007697	2-Phenylquinoline 	C15H11N	205.089149	NA	MeJP	NA	NA
+MJ007698	3-Phenylquinoline 	C15H11N	205.089149	NA	MeJP	NA	NA
+MJ007699	Cinflumide 	C12H12FNO	205.090292	NA	MeJP	NA	NA
+CJpos0542	Tryptophan isomer [(M+H)]+ (13C)	C1013CH13N2O2	205.092675	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0542	Tryptophan isomer [(M+H)]+ (13C)	C1013CH13N2O2	205.092675	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0366	Tryptophan isomer [(M-H)]- (13C)	C1013CH11N2O2	205.093825	C18rt(min)=5.26 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0366	Tryptophan isomer [(M-H)]- (13C)	C1013CH11N2O2	205.093825	C18rt(min)=5.26 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C15480	N-Acetyl-D-fucosamine	C8H15NO5	205.095	NA	KEGG	NA	NA
+C15481	N-Acetyl-D-quinovosamine	C8H15NO5	205.095	NA	KEGG	NA	NA
+MJ007700	2-Amino-2,6-dideoxytalose, N-Ac 	C8H15NO5	205.095022	NA	MeJP	NA	NA
+MJ007701	3-Deoxy-3-(methylamino)arabinose, N-Ac 	C8H15NO5	205.095022	NA	MeJP	NA	NA
+MJ007702	8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentol, N-Me 	C8H15NO5	205.095022	NA	MeJP	NA	NA
+MJ007703	Casuarine 	C8H15NO5	205.095022	NA	MeJP	NA	NA
+MJ007704	Evernitrose 	C8H15NO5	205.095022	NA	MeJP	NA	NA
+MJ007705	Rubranitrose 	C8H15NO5	205.095022	NA	MeJP	NA	NA
+MetaCyc01888	chitin [&beta;-1,4-poly-N-acetyl-D-glucosamine;[1,4-(N-acetyl-&beta;-D-glucosaminyl) ]n;[1,4-(N-acetyl-&beta;-D-glucosaminyl) ]n +1;]	C8H15N1O5	205.095023	1398-61-4	metacyc	NA	NA
+MJ007706	2-(3-Fluorophenyl)-1H-imidazole-4-ethanamine 	C11H12FN3	205.101525	NA	MeJP	NA	NA
+MJ007707	1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline, 1,2-Didehydro 	C12H15NO2	205.110278	NA	MeJP	NA	NA
+MJ007708	Bellendine 	C12H15NO2	205.110278	NA	MeJP	NA	NA
+MJ007709	Dihydroshihunine 	C12H15NO2	205.110278	NA	MeJP	NA	NA
+MJ007710	Isobellendine 	C12H15NO2	205.110278	NA	MeJP	NA	NA
+MJ007711	N-(2-Hydroxyethyl)cinnamamide; N-Me 	C12H15NO2	205.110278	NA	MeJP	NA	NA
+MJ007712	Norsecurinine, 14,15-Dihydro 	C12H15NO2	205.110278	NA	MeJP	NA	NA
+C10846	Bellendine	C12H15NO2	205.1103	NA	KEGG	NA	NA
+8068	synthetic peptide	RHV	205.1135	MH2+	Inhouse_peptide	NA	peptide
+C17225	Tetrahomomethionine	C9H19NO2S	205.1137	NA	KEGG	NA	NA
+8308	ACE inhibitor	VVPP	205.12	MH2+	Inhouse_peptide	NA	peptide
+MJ007713	Triacsin B 	C11H15N3O	205.121512	NA	MeJP	NA	NA
+C05944	Pantothenol	C9H19NO4	205.1314	NA	KEGG	NA	NA
+MJ007714	Pantothenol 	C9H19NO4	205.131408	NA	MeJP	NA	NA
+MJ007715	4-Amino-4,6-dideoxy-3-C-methylmannose; ?-D-Pyranose-form, Me glycoside, N-Me 	C9H19NO4	205.131408	NA	MeJP	NA	NA
+MJ007716	4-Amino-4,6-dideoxy-3-C-methylmannose; ?-D-Pyranose-form, Me glycoside, N-Me 	C9H19NO4	205.131408	NA	MeJP	NA	NA
+MJ007717	Panthenol 	C9H19NO4	205.131408	NA	MeJP	NA	NA
+MetaCyc01889	pantothenol [dexpanthenol;bepanthen;panthenol;pantothenol;pantothenylol alcohol;]	C9H19N1O4	205.131408	81-13-0	metacyc	NA	NA
+HMDB04231	Pantothenol	C9H19NO4	205.131409	NA	HMDB2010	NA	NA
+HMDB04231	Pantothenol	C9H19NO4	205.13141	http://www.hmdb.ca/metabolites/HMDB04231	HMDB	NA	NA
+HMDB04231	Pantothenol	C9H19NO4	205.13141	HMDB04231	PFEM_hmdb_metabocards_official	NA	NA
+C07673	Phenformin	C10H15N5	205.1327	NA	KEGG	NA	NA
+MJ007718	Phenformin 	C10H15N5	205.132745	NA	MeJP	NA	NA
+MJ007719	Trapidil 	C10H15N5	205.132745	NA	MeJP	NA	NA
+MJ007720	2-(Diethylamino)-1-phenyl-1-propanone 	C13H19NO	205.146664	NA	MeJP	NA	NA
+MJ007721	5-(3-Furanyl)-8-methylindolizidine 	C13H19NO	205.146664	NA	MeJP	NA	NA
+MJ007722	Pyrrolsedamine 	C13H19NO	205.146664	NA	MeJP	NA	NA
+MJ007723	Sedamine, N-De-Me 	C13H19NO	205.146664	NA	MeJP	NA	NA
+C06954	Diethylpropion	C13H19NO	205.1467	NA	KEGG	NA	NA
+C01259	3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C9H21N2O3	205.1552	NA	KEGG	NA	NA
+HMDB01422	3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C9H21N2O3	205.15521	http://www.hmdb.ca/metabolites/HMDB01422	HMDB	NA	NA
+HMDB01422	3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C9H21N2O3	205.15521	HMDB01422	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01422	3-Hydroxy-N6,N6,N6-trimethyl-L-lysine	C9H21N2O3	205.155212	NA	HMDB2010	NA	NA
+MJ007724	3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 	C9H21N2O3	205.155217	NA	MeJP	NA	NA
+MetaCyc01890	3-hydroxy-N6,N6,N6-trimethyl-L-lysine [(5-amino-5-carboxy-4-hydroxy-pentyl)-trimethyl-ammonium;]	C9H21N2O3	205.155218	NA	metacyc	NA	NA
+MJ007725	8-Methyl-5-(4-pentenyl)indolizidine; 4',5'-Didehydro 	C14H23N	205.183049	NA	MeJP	NA	NA
+MJ007726	Dendrobates Alkaloid 203; Dihydro (?) 	C14H23N	205.183049	NA	MeJP	NA	NA
+MJ007727	Dendrobates Alkaloid 205B 	C14H23N	205.183049	NA	MeJP	NA	NA
+MJ007728	Dibromochloromethane 	CHBr2Cl	205.813353	NA	MeJP	NA	NA
+C14692	Chlorodibromomethane	CHBr2Cl	205.8134	NA	KEGG	NA	NA
+MJ007729	Hexathiepane 	CH2S6	205.848074	NA	MeJP	NA	NA
+MJ007730	3,5-Dichloro-4-hydroxybenzoic acid 	C7H4Cl2O3	205.953749	NA	MeJP	NA	NA
+MJ007731	2,6-Dichloro-4-nitroaniline 	C6H4Cl2N2O2	205.964982	NA	MeJP	NA	NA
+C11000	2,6-Dichloro-4-nitroaniline	C6H4Cl2N2O2	205.965	NA	KEGG	NA	NA
+C07736	Etidronic acid	C2H8O7P2	205.9745	NA	KEGG	NA	NA
+C07737	Transferred to D00634	C2H8O7P2	205.9745	NA	KEGG	NA	NA
+C07738	Transferred to D00635	C2H8O7P2	205.9745	NA	KEGG	NA	NA
+C07739	Transferred to D00636	C2H8O7P2	205.9745	NA	KEGG	NA	NA
+MJ007732	1-Hydroxy-1,1-ethanediphosphonic acid 	C2H8O7P2	205.974525	NA	MeJP	NA	NA
+C11252	Chloroneb	C8H8Cl2O2	205.9901	NA	KEGG	NA	NA
+MJ007733	2-(3,5-Dichloro-4-hydroxyphenyl)ethanol 	C8H8Cl2O2	205.990134	NA	MeJP	NA	NA
+MJ007734	3,5-Dichloro-4-hydroxybenzyl alcohol; 4-Me ether 	C8H8Cl2O2	205.990134	NA	MeJP	NA	NA
+MJ007735	4,6-Dichloro-5-methyl-1,3-benzenediol; Mono-Me ether 	C8H8Cl2O2	205.990134	NA	MeJP	NA	NA
+C13793	3-Bromo-2Z-heptenoic acid	C7H11BrO2	205.9942	NA	KEGG	NA	NA
+MJ007736	3-Bromo-2-heptenoic acid 	C7H11BrO2	205.994242	NA	MeJP	NA	NA
+MetaCyc01891	2-furaldehyde []	C6H7O6P1	205.998024	NA	metacyc	NA	NA
+JH072	Vanillic acid [M+K]+	NA	205.99816	11.79	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH072	Vanillic acid [M+K]+	NA	205.99816	11.79	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH072	Vanillic acid [M+K]+	NA	205.99816	11.79	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH072	Vanillic acid [M+K]+	NA	205.99816	11.79	Inhousejuil11	NA	NA
+MJ007737	3-Oxalomalate 	C6H6O8	206.006267	NA	MeJP	NA	NA
+MetaCyc01892	3-oxalomalate [3-oxalomalic acid;oxalomalic acid;]	C6H6O8	206.006267	89304-26-7	metacyc	NA	NA
+C01990	3-Oxalomalate	C6H6O8	206.0063	NA	KEGG	NA	NA
+C18012	Flaviolin	C10H6O5	206.0215	NA	KEGG	NA	NA
+MJ007738	2,3,5-Trihydroxy-1,4-naphthoquinone 	C10H6O5	206.021523	NA	MeJP	NA	NA
+MJ007739	2,3-Dihydro-3-methylene-2-oxo-1,4-benzodioxin-6-carboxylic acid 	C10H6O5	206.021523	NA	MeJP	NA	NA
+MJ007740	2,5,7-Trihydroxy-1,4-naphthoquinone 	C10H6O5	206.021523	NA	MeJP	NA	NA
+MJ007741	2,5,8-Trihydroxy-1,4-naphthoquinone 	C10H6O5	206.021523	NA	MeJP	NA	NA
+MJ007742	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Methylene ether 	C10H6O5	206.021523	NA	MeJP	NA	NA
+MJ007743	7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid 	C10H6O5	206.021523	NA	MeJP	NA	NA
+MJ007744	2-Chloro-2-butenedioic acid, Di-Et ester 	C8H11ClO4	206.034586	NA	MeJP	NA	NA
+MJ007745	3-[5-(1-Propynyl)-2-thienyl]-2-propenoic acid, Me ester 	C11H10O2S	206.04015	NA	MeJP	NA	NA
+MJ007746	5-(3-Methylthio-2-hexen-4-ynylidene)-2(5H)-furanone 	C11H10O2S	206.04015	NA	MeJP	NA	NA
+MJ007747	5-(5-Methyl-2-thienyl)-2-penten-4-ynoic acid, Me ester 	C11H10O2S	206.04015	NA	MeJP	NA	NA
+MJ007748	5-(5-Methylthio-4-hexen-2-ynylidene)-2(5H)-furanone 	C11H10O2S	206.04015	NA	MeJP	NA	NA
+MJ007749	5-Methyl-4-(methylthio)-2H-1-benzopyran-2-one 	C11H10O2S	206.04015	NA	MeJP	NA	NA
+MJ007750	6-[4-(Methylthio)-1,2,3-pentatrienyl]-2H-pyran-2-one 	C11H10O2S	206.04015	NA	MeJP	NA	NA
+CJpos0543	Xanthurenic acid [(M+H)]+ (13C)	C913CH8NO4	206.040275	C18rt(min)=5.11 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0543	Xanthurenic acid [(M+H)]+ (13C)	C913CH8NO4	206.040275	C18rt(min)=5.11 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00379	2-Methylcitric acid	C7H10O7	206.042648	NA	HMDB2010	NA	NA
+HMDB03518	Homocitric acid	C7H10O7	206.042648	NA	HMDB2010	NA	NA
+HMDB06471	Methylisocitric acid	C7H10O7	206.042648	NA	HMDB2010	NA	NA
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB00379	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB00379	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB00379	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB00379	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB00379	HMDB	NA	NA
+HMDB03518	Homocitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB03518	HMDB	NA	NA
+HMDB06471	D.L-methylisocitrate	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB06471	HMDB	NA	NA
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	http://www.hmdb.ca/metabolites/HMDB00379	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00379	2-Methylcitric acid	C7H10O7	206.04265	HMDB00379	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03518	Homocitric acid	C7H10O7	206.04265	HMDB03518	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06471	D.L-methylisocitrate	C7H10O7	206.04265	HMDB06471	PFEM_hmdb_metabocards_official	NA	NA
+MJ007751	Citric acid; 2-Me ester 	C7H10O7	206.042652	NA	MeJP	NA	NA
+MJ007752	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate 	C7H10O7	206.042652	NA	MeJP	NA	NA
+MJ007753	2-Hydroxybutane-1,2,4-tricarboxylate 	C7H10O7	206.042652	NA	MeJP	NA	NA
+MJ007754	2-Methylcitrate 	C7H10O7	206.042652	NA	MeJP	NA	NA
+MJ007755	Homoisocitrate 	C7H10O7	206.042652	NA	MeJP	NA	NA
+MetaCyc01893	homoisocitrate [(-)-1-hydroxy-1,2,4-butanetricarboxylate;homo-I-cit;1-Hydroxy-1,2,4-butanetricarboxylate;2-hydroxy-3-carboxyadipate;homo-iso-citrate;1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid;1-Hydroxybutane-1,2,4-tricarboxylate;(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate;]	C7H10O7	206.042653	NA	metacyc	NA	NA
+MetaCyc01894	homocitrate [homocit;2-Hydroxybutane-1,2,4-tricarboxylate;Homocitric acid;3-Hydroxy-3-carboxyadipic acid;]	C7H10O7	206.042653	3562-74-1	metacyc	NA	NA
+MetaCyc01895	2-methylcitrate [2-hydroxybutane-1,2,3-tricarboxylate;(2S,3S)-2-methylcitrate;]	C7H10O7	206.042653	96-17-3	metacyc	NA	NA
+MetaCyc01896	methylisocitrate [(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate;Methylisocitric acid;(2R,3S)2-methylisocitrate;]	C7H10O7	206.042653	20298-95-7	metacyc	NA	NA
+MetaCyc01897	(-) threo-isohomocitrate [(2R,3S)-1-hydroxy-1,2,4-butanetricarboxylic acid;(2R,3S)-1-hydroxy-1,2,4-butanetricarboxylate;]	C7H10O7	206.042653	NA	metacyc	NA	NA
+MetaCyc01898	(S)-homocitrate [(S)-2-hydroxy-1,2,4-butanetricarboxylic acid;]	C7H10O7	206.042653	NA	metacyc	NA	NA
+C01251	(R)-2-Hydroxybutane-1,2,4-tricarboxylate	C7H10O7	206.0427	NA	KEGG	NA	NA
+C02225	2-Methylcitrate	C7H10O7	206.0427	NA	KEGG	NA	NA
+C04593	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate	C7H10O7	206.0427	NA	KEGG	NA	NA
+C05662	Homoisocitrate	C7H10O7	206.0427	NA	KEGG	NA	NA
+EUR130	Lipoic acid	C8H14O2S2	206.0435	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR130	Lipoic acid	C8H14O2S2	206.0435	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR130	Lipoic acid	C8H14O2S2	206.0435	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR130	Lipoic acid	C8H14O2S2	206.0435	Wishlist	Inhousejuil11	NA	NA
+C00725	Lipoate	C8H14O2S2	206.0435	NA	KEGG	NA	NA
+C00726	Nitrile	CNR	206.0435	NA	KEGG	NA	NA
+C16241	(R)-Lipoic acid	C8H14O2S2	206.0435	NA	KEGG	NA	NA
+HMDB01451	Lipoic acid	C8H14O2S2	206.043518	NA	HMDB2010	NA	NA
+HMDB01451	Lipoic acid	C8H14O2S2	206.04352	http://www.hmdb.ca/metabolites/HMDB01451	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01451	Lipoic acid	C8H14O2S2	206.04352	http://www.hmdb.ca/metabolites/HMDB01451	HMDB	NA	NA
+HMDB01451	Lipoic acid	C8H14O2S2	206.04352	http://www.hmdb.ca/metabolites/HMDB01451	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01451	Lipoic acid	C8H14O2S2	206.04352	HMDB01451	PFEM_hmdb_metabocards_official	NA	NA
+MJ007756	?-Lipoic acid 	C8H14O2S2	206.043521	NA	MeJP	NA	NA
+MJ007757	?-Lipoic acid 	C8H14O2S2	206.043521	NA	MeJP	NA	NA
+MetaCyc01899	lipoate [&alpha;-liponic acid;5-(1,2-dithiolan-3-yl)-pentanoate;lipoic acid;]	C8H14O2S2	206.043521	62-46-4	metacyc	NA	NA
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	HMDB	NA	NA
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	Inhouse_PFEM	NA	NA
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR130	Lipoic acid	C8H14O2S2	206.043524	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01900	dioxindole-3-acetate []	C10H8N1O4	206.045333	NA	metacyc	NA	NA
+MetaCyc01901	7-hydroxy-2-oxindole-3-acetic-acid [7-hydroxy-2-indolinone-3-acetic acid;]	C10H8N1O4	206.045333	NA	metacyc	NA	NA
+MetaCyc01902	indolylmethylthiohydroximate [indolylmethylthiohydroximic acid;]	C10H10N2O1S1	206.051384	NA	metacyc	NA	NA
+C16516	Indolylmethylthiohydroximate	C10H10N2OS	206.0514	NA	KEGG	NA	NA
+JH162	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+	NA	206.0573	13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH162	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+	NA	206.0573	13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH162	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+	NA	206.0573	13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH162	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H-H20]+	NA	206.0573	13.56	Inhousejuil11	NA	NA
+C09012	Lathodoratin	C11H10O4	206.0579	NA	KEGG	NA	NA
+C09311	Scoparone	C11H10O4	206.0579	NA	KEGG	NA	NA
+C14085	2-Hydroxy-8-methylchromene-2-carboxylate	C11H10O4	206.0579	NA	KEGG	NA	NA
+C14086	2-Hydroxy-3-methylbenzalpyruvate	C11H10O4	206.0579	NA	KEGG	NA	NA
+C14092	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene	C11H10O4	206.0579	NA	KEGG	NA	NA
+MJ007758	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 8,9-Epoxide, Me ester 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007759	2,3-Dihydro-3,5-dihydroxy-2-methylnaphthoquinone 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007760	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 1''-Oxo 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007761	3-(2-Methoxy-4,5-methylenedioxyphenyl)propenal 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007762	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, Aldehyde, 3'-Me, 4',5'-methylene ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007763	3-(3,4,5-Trihydroxyphenyl)-2-propenal, 3,4-Methylene, 5-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007764	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Vinyl ester 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007765	3-Ethyl-5,7-dihydroxy-4H-1-benzopyran-4-one 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007766	4,6-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007767	4,7-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007768	4,8-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007769	4-Hydroxy-5-(hydroxymethyl)-2H-1-benzopyran-2-one; 4-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007770	5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007771	5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007772	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 5-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007773	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007774	5,7-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007775	5,7-Dihydroxy-4H-1-benzopyran-4-one; Di-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007776	5,7-Dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007777	5,8-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007778	6,7-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007779	6,7-Dihydroxy-4H-1-benzopyran-4-one; Di-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007780	6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one; 6-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007781	7,8-Dihydroxy-2H-1-benzopyran-2-one; Di-Me ether 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007782	7-Hydroxy-2-(hydroxymethyl)-5-methyl-4H-1-benzopyran-4-one 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007783	7-Hydroxy-6-(hydroxymethyl)-2H-1-benzopyran-2-one; O7-Me 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007784	8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one; 1'-Deoxy 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007785	8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one; 2'-Deoxy 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007786	Anhydrosepedonin 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007787	Cladobotrin I 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007788	Murrayacarpin A 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007789	Pedicellatin 	C11H10O4	206.057908	NA	MeJP	NA	NA
+MJ007790	Plumbagic acid, ?-Lactone 	C11H10O4	206.057908	NA	MeJP	NA	NA
+7597	ACE inhibitor	GM	206.0614	antioxidative	Inhouse_peptide	NA	peptide
+7609	ACE inhibitor	MG	206.0614	antioxidative	Inhouse_peptide	NA	peptide
+MJ007791	1-Chloro-3-chloromethyl-7-methyl-2,6-octadiene 	C10H16Cl2	206.062905	NA	MeJP	NA	NA
+HMDB06785	Dihydrolipoylprotein	C8H16NOS2	206.06734	http://www.hmdb.ca/metabolites/HMDB06785	HMDB	NA	NA
+HMDB06879	Dihydrolipoamide-E	C8H16NOS2	206.06734	http://www.hmdb.ca/metabolites/HMDB06879	HMDB	NA	NA
+HMDB06785	Dihydrolipoylprotein	C8H16NOS2	206.06734	HMDB06785	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06879	Dihydrolipoamide-E	C8H16NOS2	206.06734	HMDB06879	PFEM_hmdb_metabocards_official	NA	NA
+MJ007792	2-Hydroxymethyl-3-methylquinoxaline; 1,4-Dioxide 	C10H10N2O3	206.069142	NA	MeJP	NA	NA
+MJ007793	2-Pyruvoylaminobenzamide 	C10H10N2O3	206.069142	NA	MeJP	NA	NA
+MJ007794	Caroxazone 	C10H10N2O3	206.069142	NA	MeJP	NA	NA
+MJ007795	Paraxazone 	C10H10N2O3	206.069142	NA	MeJP	NA	NA
+MJ007796	Phyllurine 	C10H10N2O3	206.069142	NA	MeJP	NA	NA
+MJ007797	[(2-Acetylphenyl)amino]iminoacetic acid 	C10H10N2O3	206.069142	NA	MeJP	NA	NA
+MJ007798	4-tert-Butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane; 1-Oxide 	C8H15O4P	206.070795	NA	MeJP	NA	NA
+PJ000040	GM 	C7H14N2O3S	206.0725	NA	PeJP	NA	NA
+CJpos0544	Cinnamoylglycine [(M+H)]+ (13C)	C1013CH12NO3	206.076675	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0544	Cinnamoylglycine [(M+H)]+ (13C)	C1013CH12NO3	206.076675	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0367	Cinnamoylglycine [(M-H)]- (13C)	C1013CH10NO3	206.077825	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0367	Cinnamoylglycine [(M-H)]- (13C)	C1013CH10NO3	206.077825	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007799	5,6,7,8-Tetrahydro-4-methylquinoline-8-carbothiamide 	C11H14N2S	206.087769	NA	MeJP	NA	NA
+MJ007800	Pyrantel 	C11H14N2S	206.087769	NA	MeJP	NA	NA
+MJ007801	Tiquinamide 	C11H14N2S	206.087769	NA	MeJP	NA	NA
+C07409	Pyrantel	C11H14N2S	206.0878	NA	KEGG	NA	NA
+MJ007802	2,6-Diamino-3-hydroxyheptanedioic acid 	C7H14N2O5	206.090271	NA	MeJP	NA	NA
+MJ007803	5-Amino-2-(aminomethyl)-2-hydroxyhexanedioic acid 	C7H14N2O5	206.090271	NA	MeJP	NA	NA
+MetaCyc01903	meso-2,6-diamino-3-hydroxypimelate [meso-diamino-3-hydroxypimelate;]	C7H14N2O5	206.090272	NA	metacyc	NA	NA
+PJ000041	ST 	C7H14N2O5	206.0903	NA	PeJP	NA	NA
+MJ007804	1-(2,5-Dihydroxyphenyl)-3-methyl-2-buten-1-one; 5-Me ether 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007805	2,3-Dihydro-3-hydroxy-5-hydroxymethyl-2-isopropenylbenzofuran 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007806	2,3-Dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one; Me ether 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007807	2,5-Dihydroxy-4-(1-methylethenyl)benzaldehyde; Di-Me ether 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007808	2-Methoxy-4-(2-propenyl)phenol; Ac 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007809	2-Methoxy-5-(2-propenyl)phenol; Ac 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007810	2-Methyl-2-butene-1,4-diol, 4-Benzoyl 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007811	2-Methyl-2H-1-benzopyran-5,7-diol, Di-Me ether 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007812	3,4-Dihydro-5-(1-hydroxy-2-phenylethyl)-2(5H)-furanone 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007813	3,4-Dihydro-8-hydroxy-3,5,7-trimethyl-1H-2-benzopyran-1-one 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007814	3,4-Dihydroxybenzaldehyde; 4-O-(3-Methyl-2-butenyl) 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007815	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-Ac 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007816	3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, Et ester 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007817	3-Butyl-1(3H)-isobenzofuranone, 7-Hydroxy 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007818	3-Butyl-4-hydroxy-1(3H)-isobenzofuranone 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007819	4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007820	4-Hydroxybenzaldehyde; O-(4-Hydroxy-3-methyl-2-butenyl)(Z-) 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007821	4-Prenyloxybenzoic acid 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007822	5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one, 5'-Ketone 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007823	5-Hydroxy-?,?-dimethyl-2-benzofuranmethanol; 5-Me ether 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007824	6-Hydroxy-11,12,13-trinor-1(10),7-eremophiladiene-2,9-dione 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007825	Furofenac 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007826	Ligustilide; 6,7-Epoxide 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007827	Ligustilide; 9-Hydroxy 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007828	Trisnorcybrodolide 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MJ007829	p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 9-Ac 	C12H14O3	206.094294	NA	MeJP	NA	NA
+MetaCyc01904	benzyl-2-methyl-3-oxobutanoate [2-methyl-3-oxo-butanoic acid benzyl ester;]	C12H14O3	206.094294	NA	metacyc	NA	NA
+C04000	Benzyl 2-methyl-3-oxobutanoate	C12H14O3	206.0943	NA	KEGG	NA	NA
+C04001	Blood coagulation Factor VIIIa	C12H14O3	206.0943	NA	KEGG	NA	NA
+C10476	p-Methoxycinnamic acid ethyl ester	C12H14O3	206.0943	NA	KEGG	NA	NA
+C12458	3-Dimethylallyl-4-hydroxybenzoate	C12H14O3	206.0943	NA	KEGG	NA	NA
+C14567	Acetyleugenol	C12H14O3	206.0943	NA	KEGG	NA	NA
+CJpos0545	Tryptophan isomer [(M+H)]+ (13C2)	C913C2H13N2O2	206.096075	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0545	Tryptophan isomer [(M+H)]+ (13C2)	C913C2H13N2O2	206.096075	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00569	Deoxypyridinoline	C18H28N4O7	206.0979005	MH2+	Inhouse_peptide	NA	peptide
+8067	synthetic peptide	RHT	206.103	MH2+	Inhouse_peptide	NA	peptide
+C07499	Phenylethylmalonamide	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12590	Pheneturide	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12591	Transferred to D01191	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12592	Transferred to D01192	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12593	Transferred to D01193	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12594	Transferred to D01194	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12595	Transferred to D01195	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12596	Transferred to D01196	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12597	Transferred to D01197	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+C12598	Transferred to D01198	C11H14N2O2	206.1055	NA	KEGG	NA	NA
+MJ007830	Cytisine, Nb-Oxide 	C11H14N2O2	206.105527	NA	MeJP	NA	NA
+MJ007831	Donaxaridine 	C11H14N2O2	206.105527	NA	MeJP	NA	NA
+MJ007832	Pheneturide 	C11H14N2O2	206.105527	NA	MeJP	NA	NA
+MJ007833	Vasicol 	C11H14N2O2	206.105527	NA	MeJP	NA	NA
+MJ007834	Diptocarpaine 	C8H18N2O2S	206.108898	NA	MeJP	NA	NA
+2821	PEP inhibitor	TPPV	206.1095	MH2+	Inhouse_peptide	NA	peptide
+C14761	trans,trans-1,4-Diphenyl-1,3-butadiene	C16H14	206.1096	NA	KEGG	NA	NA
+MJ007835	6-Deoxyaltrose; ?-D-Pyranose-form, Me glycoside, 2,3-di-Me 	C9H18O5	206.115423	NA	MeJP	NA	NA
+C17575	Actinamine	C8H18N2O4	206.1267	NA	KEGG	NA	NA
+7667	ACE inhibitor from k-CN (94-97)	IAIP	206.1285	MH2+	Inhouse_peptide	NA	peptide
+HMDB01925	Ibuprofen	C13H18O2	206.130676	NA	HMDB2010	NA	NA
+MJ007836	2,3,4,5-Tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-2,2'-bifuran 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007837	2-(1,3-Butadienyl)tetrahydro-4-(1,3-pentadienyl)-3-furanol 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007838	2-(4-Hydroxyphenyl)ethanol; 4'-O-(3-Methyl-2-butenyl) 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007839	2-Hydroxy-5-methyl-1-phenyl-3-hexanone 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007840	5-Hydroxy-7-phenyl-3-heptanone 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007841	6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007842	Aureonitol 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007843	Eremopetasinorol; 3-Ketone 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007844	Ibuprofen 	C13H18O2	206.130679	NA	MeJP	NA	NA
+MJ007845	Qinghaosu I 	C13H18O2	206.130679	NA	MeJP	NA	NA
+HMDB01925	Ibuprofen	C13H18O2	206.13068	http://www.hmdb.ca/metabolites/HMDB01925	HMDB	NA	NA
+HMDB01925	Ibuprofen	C13H18O2	206.13068	HMDB01925	PFEM_hmdb_metabocards_official	NA	NA
+C01588	Ibuprofen	C13H18O2	206.1307	NA	KEGG	NA	NA
+C02185	Plastoquinol-1	C13H18O2	206.1307	NA	KEGG	NA	NA
+C02186	Prolyl-peptide	C7H11N2O3R	206.1307	NA	KEGG	NA	NA
+C02188	Protein lysine	C7H13N3O2R2	206.1307	NA	KEGG	NA	NA
+C02189	Protein serine	C4H6N2O3R2	206.1307	NA	KEGG	NA	NA
+C07485	Oxotremorine	C12H18N2O	206.1419	NA	KEGG	NA	NA
+C11005	Isoproturon	C12H18N2O	206.1419	NA	KEGG	NA	NA
+C16561	Monoethylglycinexylidide	C12H18N2O	206.1419	NA	KEGG	NA	NA
+MJ007846	1',3,4,4',5,5',6,6'-Octahydro-2,3'-bipyridine; N-Ac 	C12H18N2O	206.141913	NA	MeJP	NA	NA
+MJ007847	Oxotremorine 	C12H18N2O	206.141913	NA	MeJP	NA	NA
+MJ007848	Pivhydrazine 	C12H18N2O	206.141913	NA	MeJP	NA	NA
+MJ007849	3,7-Dimethyl-1,2,6,7-octanetetrol 	C10H22O4	206.151809	NA	MeJP	NA	NA
+MJ007850	2-(2,6-Dimethylphenyl)-N,N-dimethylhydrazinecarboximidamide 	C11H18N4	206.153146	NA	MeJP	NA	NA
+MJ007851	1,10-Epoxy-15-nor-4-bicyclogermacrene 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007852	11-Nor-8-drimen-7-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007853	13-Nor-1,3-elemadien-11-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007854	13-Nor-4(15)-oppositen-11-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007855	13-Nor-6-eudesmen-11-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007856	13-Nor-6-eudesmen-8-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007857	14-Nor-3(15)-caryophyllen-6-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007858	15-Nor-2-acoren-4-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007859	15-Nor-3-gymnomitranone 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007860	3-Methyl-6-(1-methyl-5-hexenyl)-2-cyclohexen-1-one 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007861	5(1?10)-Abeo-15-nor-3-patchoulen-1-ol 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007862	5,7,9,11-Tetradecatetraen-1-ol 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007863	?-Irone 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007864	Ambraaldehyde 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007865	Inflatenone 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007866	Norbourbonone 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007867	Rudbeckianone 	C14H22O	206.167065	NA	MeJP	NA	NA
+MJ007868	?-Irone 	C14H22O	206.167065	NA	MeJP	NA	NA
+C09690	alpha-Irone	C14H22O	206.1671	NA	KEGG	NA	NA
+C11350	(+)-trans-alpha-Irone	C14H22O	206.1671	NA	KEGG	NA	NA
+C14132	4-Octylphenol	C14H22O	206.1671	NA	KEGG	NA	NA
+C14205	4-tert-Octylphenol	C14H22O	206.1671	NA	KEGG	NA	NA
+MJ007869	2,4,10-Farnesatriene 	C15H26	206.20345	NA	MeJP	NA	NA
+MJ007870	2,6,10-Farnesatriene 	C15H26	206.20345	NA	MeJP	NA	NA
+MJ007871	4-Muurolene 	C15H26	206.20345	NA	MeJP	NA	NA
+MJ007872	8(12)-Drimene 	C15H26	206.20345	NA	MeJP	NA	NA
+3763	NA	LNPA	206.60795	MH2+	Inhouse_peptide	NA	peptide
+8106	peptide derived from dried bonito	PKAV	206.6255	MH2+	Inhouse_peptide	NA	peptide
+MJ007873	2-Bromo-2-ethyl-3-methylbutanoic acid, Amide 	C7H14BrNO	207.025876	NA	MeJP	NA	NA
+C11628	p-Aminobenzamidine dihydrochloride	C7H9N3	207.033	NA	KEGG	NA	NA
+MJ007874	2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; Alcohol 	C10H9NO2S	207.035399	NA	MeJP	NA	NA
+MJ007875	2-Hydroxy-2-(hydroxyaminocarbonyl)pentanedioic acid 	C6H9NO7	207.037901	NA	MeJP	NA	NA
+MJ007876	2-Amino-4-hydroxy-6-pteridinecarboxylic acid 	C7H5N5O3	207.039239	NA	MeJP	NA	NA
+MJ007877	3,6-Dihydro-6-methyl-5-(4-pyridinyl)-2H-1,3,4-thiadiazin-2-one 	C9H9N3OS	207.046632	NA	MeJP	NA	NA
+MJ007878	1-(2,3-Dihydro-2-oxo-3-furanyl)-5-(hydroxymethyl)-1H-pyrrole-2-carboxaldehyde 	C10H9NO4	207.053157	NA	MeJP	NA	NA
+MJ007879	Murrayaculatine 	C10H9NO4	207.053157	NA	MeJP	NA	NA
+MJ007880	4-(2-Aminophenyl)-2,4-dioxobutanoate 	C10H9NO4	207.053157	NA	MeJP	NA	NA
+MJ007881	2-Formaminobenzoylacetate 	C10H9NO4	207.053157	NA	MeJP	NA	NA
+MetaCyc01905	4-(2-aminophenyl)-2,4-dioxobutanoate []	C10H9N1O4	207.053158	NA	metacyc	NA	NA
+HMDB00978	4-(2-Aminophenyl)-2,4-dioxobutanoic acid	C10H9NO4	207.05316	http://www.hmdb.ca/metabolites/HMDB00978	HMDB	NA	NA
+HMDB00978	4-(2-Aminophenyl)-2,4-dioxobutanoic acid	C10H9NO4	207.05316	HMDB00978	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00978	4-(2-Aminophenyl)-2,4-dioxobutanoic acid	C10H9NO4	207.053162	NA	HMDB2010	NA	NA
+C01252	4-(2-Aminophenyl)-2,4-dioxobutanoate	C10H9NO4	207.0532	NA	KEGG	NA	NA
+C01253	ADP-D-ribosyl-[dinitrogen reductase]	C22H34N10O15P2R2	207.0532	NA	KEGG	NA	NA
+C05835	2-Formaminobenzoylacetate	C10H9NO4	207.0532	NA	KEGG	NA	NA
+C12466	3-Amino-4,7-dihydroxy-8-methylcoumarin	C10H9NO4	207.0532	NA	KEGG	NA	NA
+C12467	2-Hydroxy-beta-keto-L-tyrosyl-[pcp]	C9H8NO4SR	207.0532	NA	KEGG	NA	NA
+C14801	1-Nitro-5,6-dihydroxy-dihydronaphthalene	C10H9NO4	207.0532	NA	KEGG	NA	NA
+C14876	S-(2-Hydroxyethyl)-N-acetyl-L-cysteine	C7H13NO4S	207.0565	NA	KEGG	NA	NA
+MJ007882	3-[(2-Amino-2-carboxyethyl)thio]butanoic acid 	C7H13NO4S	207.056528	NA	MeJP	NA	NA
+MJ007883	Isobuteine 	C7H13NO4S	207.056528	NA	MeJP	NA	NA
+C10902	Methyl 5-hydroxy-2-benzimidazole carbamate	C9H9N3O3	207.0644	NA	KEGG	NA	NA
+C16624	Isoniazid pyruvate	C9H9N3O3	207.0644	NA	KEGG	NA	NA
+C16605	2H-Dibenz[b,f]azepin-2-one	C14H9NO	207.0684	NA	KEGG	NA	NA
+MJ007884	Niranin; 2',3'-Didehydro (E-) 	C11H13NOS	207.071784	NA	MeJP	NA	NA
+MJ007885	Niranin; 2',3'-Didehydro (Z-) 	C11H13NOS	207.071784	NA	MeJP	NA	NA
+CJpos0546	9-Methylxanthine [(M+H)+(CH3CN)]+	C8H10N5O2	207.075075	C18rt(min)=4.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0546	9-Methylxanthine [(M+H)+(CH3CN)]+	C8H10N5O2	207.075075	C18rt(min)=4.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00985	Dihydrolipoamide	C8H17NOS2	207.07515	NA	HMDB2010	NA	NA
+MJ007886	Dihydrolipoamide 	C8H17NOS2	207.075155	NA	MeJP	NA	NA
+MetaCyc01906	dihydrolipoamide []	C8H17N1O1S2	207.075156	NA	metacyc	NA	NA
+HMDB00985	Dihydrolipoamide	C8H17NOS2	207.07516	http://www.hmdb.ca/metabolites/HMDB00985	HMDB	NA	NA
+HMDB00985	Dihydrolipoamide	C8H17NOS2	207.07516	HMDB00985	PFEM_hmdb_metabocards_official	NA	NA
+C00579	Dihydrolipoamide	C8H17NOS2	207.0752	NA	KEGG	NA	NA
+MJ007887	6-Acetyl-2-amino-7,8-dihydro-4(3H)-pteridinone 	C8H9N5O2	207.075624	NA	MeJP	NA	NA
+MJ007888	6-Amino-2-hydroxypurine; 1-Me, 6-N-Ac 	C8H9N5O2	207.075624	NA	MeJP	NA	NA
+MJ007889	6-Amino-9H-purine-9-propanoic acid 	C8H9N5O2	207.075624	NA	MeJP	NA	NA
+CJpos0547	Cinnamoylglycine [(M+H)]+ (18O)	C11H12NO218O	207.077575	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0547	Cinnamoylglycine [(M+H)]+ (18O)	C11H12NO218O	207.077575	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C15549	Anthocyanin	C15H11O	207.081	NA	KEGG	NA	NA
+CJpos0548	N-Acetylphenylalanine [(M+H)]+	C11H14NO3	207.088975	C18rt(min)=6.6 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0548	N-Acetylphenylalanine [(M+H)]+	C11H14NO3	207.088975	C18rt(min)=6.6 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03519	N-Acetyl-L-phenylalanine	C11H13NO3	207.0895	NA	KEGG	NA	NA
+C05620	N-Acetyl-D-phenylalanine	C11H13NO3	207.0895	NA	KEGG	NA	NA
+C09933	Cantleyine	C11H13NO3	207.0895	NA	KEGG	NA	NA
+C09986	Rhexifoline	C11H13NO3	207.0895	NA	KEGG	NA	NA
+HMDB00512	N-Acetyl-L-phenylalanine	C11H13NO3	207.089539	NA	HMDB2010	NA	NA
+HMDB00860	Phenylpropionylglycine	C11H13NO3	207.089539	NA	HMDB2010	NA	NA
+HMDB02042	3-Phenylpropionylglycine	C11H13NO3	207.089539	NA	HMDB2010	NA	NA
+HMDB00512	N-Acetyl-L-phenylalanine	C11H13NO3	207.08954	http://www.hmdb.ca/metabolites/HMDB00512	HMDB	NA	NA
+HMDB00860	Phenylpropionylglycine	C11H13NO3	207.08954	http://www.hmdb.ca/metabolites/HMDB00860	HMDB	NA	NA
+HMDB02042	3-Phenylpropionylglycine	C11H13NO3	207.08954	http://www.hmdb.ca/metabolites/HMDB02042	HMDB	NA	NA
+HMDB00512	N-Acetyl-L-phenylalanine	C11H13NO3	207.08954	HMDB00512	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00860	Phenylpropionylglycine	C11H13NO3	207.08954	HMDB00860	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02042	3-Phenylpropionylglycine	C11H13NO3	207.08954	HMDB02042	PFEM_hmdb_metabocards_official	NA	NA
+MJ007890	1,2,3,4-Tetrahydro-6-hydroxy-1-methyl-3-isoquinolinecarboxylic acid 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007891	1-(1H-Indol-3-yl)-1,2,3-propanetriol 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007892	1-(2-Acetamidophenyl)-2-hydroxy-1-propanone 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007893	3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; 6-Me ether, N-Me 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007894	3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; Di-Me ether 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007895	3,4-Dihydro-8-hydroxy-6,7-dimethoxyisoquinoline 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007896	4-(2-Hydroxybenzoyl)morpholine 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007897	Cantleyine 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007898	Gentiananine 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007899	Hupeol 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007900	Hydrastinine 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007901	Lepiotin A; 5-Me ether 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007902	Rhexifoline 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007903	Thurfyl nicotinate 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007904	Toloxatone 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007905	N-Acetyl-D-phenylalanine 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MJ007906	N-Acetyl-L-phenylalanine 	C11H13NO3	207.089543	NA	MeJP	NA	NA
+MetaCyc01907	N-acetyl-L-phenylalanine []	C11H13N1O3	207.089543	2018-61-3	metacyc	NA	NA
+CJneg0368	 2-acetamido-4-methylphenyl acetate [(M-H)]-	C11H12NO3	207.090125	C18rt(min)=6.75 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0369	N-Acetylphenylalanine [(M-H)]-	C11H12NO3	207.090125	C18rt(min)=6.6 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0368	 2-acetamido-4-methylphenyl acetate [(M-H)]-	C11H12NO3	207.090125	C18rt(min)=6.75 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0369	N-Acetylphenylalanine [(M-H)]-	C11H12NO3	207.090125	C18rt(min)=6.6 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007907	Felinine 	C8H17NO3S	207.092914	NA	MeJP	NA	NA
+MJ007908	Guabenxan 	C10H13N3O2	207.100776	NA	MeJP	NA	NA
+MJ007909	Guanoxan 	C10H13N3O2	207.100776	NA	MeJP	NA	NA
+HMDB11603	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone	C10H13N3O2	207.100784	NA	HMDB2010	NA	NA
+C15418	5-(alpha-Phenylethyl)semioxamazide	C10H13N3O2	207.1008	NA	KEGG	NA	NA
+C16453	NNK (carcinogen)	C10H13N3O2	207.1008	NA	KEGG	NA	NA
+3531	ACE inhibitor from as1-CN	PLW	207.1075	MH2+	Inhouse_peptide	NA	peptide
+8044	synthetic peptide	PWI	207.1075	MH2+	Inhouse_peptide	NA	peptide
+8045	synthetic peptide	PWL	207.1075	MH2+	Inhouse_peptide	NA	peptide
+8187	peptide from buckwheat	WPL	207.1075	MH2+	Inhouse_peptide	NA	peptide
+MJ007910	Miglitol 	C8H17NO5	207.110672	NA	MeJP	NA	NA
+C02852	N-Ethylglycocyamine	C8H17NO5	207.1107	NA	KEGG	NA	NA
+C02853	N-Formyl amino acid	C3H4NO3R	207.1107	NA	KEGG	NA	NA
+C07708	Miglitol	C8H17NO5	207.1107	NA	KEGG	NA	NA
+C12067	2-Deoxy-2-dimethylamino-alpha-D-Glucose	C8H17NO5	207.1107	NA	KEGG	NA	NA
+MJ007911	Heteromine C; N2-Me 	C9H14N5O(+)	207.11201	NA	MeJP	NA	NA
+MJ007912	Heteromine D 	C9H14N5O(+)	207.11201	NA	MeJP	NA	NA
+C14168	3-(Dimethylamino)propyl benzoate	C12H17NO2	207.1259	NA	KEGG	NA	NA
+C14425	2-sec-Butylphenyl N-methylcarbamate	C12H17NO2	207.1259	NA	KEGG	NA	NA
+MJ007913	1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethylisoquinoline, O-De-Me 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007914	1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007915	1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007916	1,2,3,4-Tetrahydro-7-hydroxy-6-methoxy-1-methylisoquinoline, N-Me 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007917	2-(Pentyloxy)benzamide 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007918	4'-tert-Butoxyacetanilide 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007919	6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007920	Bellendine, 2,3-Dihydro 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007921	Isobellendine, 5?,11?-Dihydro 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007922	Phenylalanine, N,N,N-Tri-Me, betaine 	C12H17NO2	207.125928	NA	MeJP	NA	NA
+MJ007923	Corypalline; N-Me 	C12H18NO2(+)	207.125928	NA	MeJP	NA	NA
+MJ007924	Alchornine 	C11H17N3O	207.137162	NA	MeJP	NA	NA
+MJ007925	Meobentine 	C11H17N3O	207.137162	NA	MeJP	NA	NA
+MJ007926	Triacsin B; 6,9-Dihydro 	C11H17N3O	207.137162	NA	MeJP	NA	NA
+MJ007927	Triacsin B; 8,9-Dihydro 	C11H17N3O	207.137162	NA	MeJP	NA	NA
+C09912	Arenaine	C11H17N3O	207.1372	NA	KEGG	NA	NA
+C10567	Alchornine	C11H17N3O	207.1372	NA	KEGG	NA	NA
+C09872	Luciduline	C13H21NO	207.1623	NA	KEGG	NA	NA
+MJ007928	Hippocasine; Natural-form, 3a-Epimer, N-oxide 	C13H21NO	207.162314	NA	MeJP	NA	NA
+MJ007929	Hippocasine; Natural-form, N-Oxide 	C13H21NO	207.162314	NA	MeJP	NA	NA
+MJ007930	Luciduline 	C13H21NO	207.162314	NA	MeJP	NA	NA
+MJ007931	Polycanthisine 	C13H21NO	207.162314	NA	MeJP	NA	NA
+MJ007932	1-(1-Adamantyl)-2-methyl-2-propylamine 	C14H25N	207.198699	NA	MeJP	NA	NA
+MJ007933	1-Ethyl-4-(2-propenyl)quinolizidine 	C14H25N	207.198699	NA	MeJP	NA	NA
+MJ007934	3,5,13-Tetradecatrien-2-amine 	C14H25N	207.198699	NA	MeJP	NA	NA
+MJ007935	8-Methyl-5-(4-pentenyl)indolizidine 	C14H25N	207.198699	NA	MeJP	NA	NA
+7939	synthetic peptide	YYA	207.5815	MH2+	Inhouse_peptide	NA	peptide
+7953	synthetic peptide	AYY	207.5815	MH2+	Inhouse_peptide	NA	peptide
+7957	synthetic peptide	YAY	207.5815	MH2+	Inhouse_peptide	NA	peptide
+8038	synthetic peptide	PHY	207.5865	MH2+	Inhouse_peptide	NA	peptide
+8046	synthetic peptide	PWN	207.58695	MH2+	Inhouse_peptide	NA	peptide
+7991	synthetic peptide	LHF	207.605	MH2+	Inhouse_peptide	NA	peptide
+C15455	Sodium molybdate	MoO4	207.8646	NA	KEGG	NA	NA
+C12834	2,5-Dichloro-carboxymethylenebut-2-en-4-olide	C6H2Cl2O4	207.933	NA	KEGG	NA	NA
+C06696	Lead	Pb	207.9766	NA	KEGG	NA	NA
+MetaCyc01908	Pb2+ []	PB1	207.976636	NA	metacyc	NA	NA
+HMDB04628	Lead	Pb	207.97665	http://www.hmdb.ca/metabolites/HMDB04628	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04628	Lead	Pb	207.97665	http://www.hmdb.ca/metabolites/HMDB04628	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04628	Lead	Pb	207.97665	http://www.hmdb.ca/metabolites/HMDB04628	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04628	Lead	Pb	207.97665	http://www.hmdb.ca/metabolites/HMDB04628	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04628	Lead	Pb	207.97665	http://www.hmdb.ca/metabolites/HMDB04628	HMDB	NA	NA
+HMDB04628	Lead	Pb	207.97665	http://www.hmdb.ca/metabolites/HMDB04628	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04628	Lead	Pb	207.97665	HMDB04628	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04628	Lead	[Pb]2+	207.976654	NA	HMDB2010	NA	NA
+MJ007936	Stipitatonic acid 	C9H4O6	208.000787	NA	MeJP	NA	NA
+MetaCyc01909	stipitatonate []	C9H4O6	208.000788	606-39-3	metacyc	NA	NA
+C02080	Stipitatonate	C9H4O6	208.0008	NA	KEGG	NA	NA
+MJ007937	5-Acetyl-2,2'-bithiophene 	C10H8OS2	208.001656	NA	MeJP	NA	NA
+MJ007938	[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide 	C7H12OS3	208.005027	NA	MeJP	NA	NA
+MJ007939	Antienite 	C9H8N2S2	208.012889	NA	MeJP	NA	NA
+C16201	1-Naphthalenesulfonic acid	C10H8O3S	208.0194	NA	KEGG	NA	NA
+C16202	2-Naphthalenesulfonic acid	C10H8O3S	208.0194	NA	KEGG	NA	NA
+MJ007940	1,2-Dihydroxy-1,2,3-propanetricarboxylic acid 	C6H8O8	208.021917	NA	MeJP	NA	NA
+CJneg0370	Malonic acid [(2M-H)]-	C6H7O8	208.022425	C18rt(min)=1.04 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0370	Malonic acid [(2M-H)]-	C6H7O8	208.022425	C18rt(min)=1.04 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ007941	Ulosantoin 	C5H9N2O5P	208.024907	NA	MeJP	NA	NA
+MJ007942	1,3-Dihydro-4-hydroxy-3-oxo-1-isobenzofuranacetic acid 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007943	3,4,8-Trihydroxy-2H-1-benzopyran-2-one; 4-Me ether 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007944	3,7,8-Trihydroxy-2H-1-benzopyran-2-one; 3-Me ether 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007945	3-Acetyl-5,7-dihydroxy-1(3H)-isobenzofuranone 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007946	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007947	5,7-Dihydroxy-2-(hydroxymethyl)-4H-1-benzopyran-4-one 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007948	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007949	6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007950	6,8-Dihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one 	C10H8O5	208.037173	NA	MeJP	NA	NA
+MJ007951	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one 	C10H8O5	208.037173	NA	MeJP	NA	NA
+C09265	Fraxetin	C10H8O5	208.0372	NA	KEGG	NA	NA
+MetaCyc01910	2-methylamine-furan []	C6H11N1O5P1	208.037484	NA	metacyc	NA	NA
+C17210	2-(2'-Methylthio)ethylmalic acid	C7H12O5S	208.0405	NA	KEGG	NA	NA
+C17212	3-(2'-Methylthio)ethylmalic acid	C7H12O5S	208.0405	NA	KEGG	NA	NA
+MetaCyc01911	3-(2'-methylthio)ethylmalic-acid []	C7H12O5S1	208.040544	NA	metacyc	NA	NA
+MetaCyc01912	2-(2'-methylthio)ethylmalic-acid []	C7H12O5S1	208.040544	NA	metacyc	NA	NA
+MJ007952	1-Methylpropyl 3-(methylthio)-2-propenyl disulfide 	C8H16S3	208.041412	NA	MeJP	NA	NA
+MJ007953	3,5-Dialkyl-1,2,4-trithiolanes; 3-Ethyl-5-(2-methylpropyl)-1,2,4-trithiolane 	C8H16S3	208.041412	NA	MeJP	NA	NA
+MJ007954	Lanthionine 	C6H12N2O4S	208.051777	NA	MeJP	NA	NA
+MetaCyc01913	lanthionine [L-alanine, 3,3'-thiobis-;L-alanine, 3,3'-thiodi-;L-lanthionine;&beta;,&beta;'-thiodi-L-alanine;sulfide, bis(2-amino-2-carboxyethyl), (R-(R*,R*))-;L-cysteine, S-((2R)-2-amino-2-carboxyethyl)-;L-cysteine, S-(2-amino-2-carboxyethyl)-, (R)-;]	C6H12N2O4S1	208.051778	NA	metacyc	NA	NA
+PJ000042	SC 	C6H12N2O4S	208.0518	NA	PeJP	NA	NA
+C03243	9,10-Phenanthroquinone	C14H8O2	208.0524	NA	KEGG	NA	NA
+C03245	ADP-D-ribosyl-acceptor	C14H8O2	208.0524	NA	KEGG	NA	NA
+C11445	4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne	C14H8O2	208.0524	NA	KEGG	NA	NA
+C16207	9,10-Anthraquinone	C14H8O2	208.0524	NA	KEGG	NA	NA
+MJ007955	9,10-Anthraquinone 	C14H8O2	208.052429	NA	MeJP	NA	NA
+MJ007956	3-(Methylthio)-2-propenoic acid, Benzyl ester 	C11H12O2S	208.0558	NA	MeJP	NA	NA
+MJ007957	3-[5-(1-Propenyl)-2-thienyl]-2-propenoic acid, Me ester 	C11H12O2S	208.0558	NA	MeJP	NA	NA
+MJ007958	5-(1-Propynyl)-2-thiophenepropanoic acid; Me ester 	C11H12O2S	208.0558	NA	MeJP	NA	NA
+MJ007959	4-C-Methylglucuronic acid 	C7H12O7	208.058302	NA	MeJP	NA	NA
+MJ007960	Galacturonic acid, Me ester 	C7H12O7	208.058302	NA	MeJP	NA	NA
+MJ007961	Glucuronic acid, 4-Me 	C7H12O7	208.058302	NA	MeJP	NA	NA
+MetaCyc01914	methyl-&beta;-D-glucuronide [methylglucopyranosiduronic acid;methyl-&beta;-D-glucopyranosiduronic acid;methyl &beta;-glucuronide;]	C7H12O7	208.058303	4356-84-7	metacyc	NA	NA
+MetaCyc01915	1-O-methyl-&beta;-D-glucuronate [1-O-methyl-&beta;-D-glucuronic acid;]	C7H12O7	208.058303	134253-42-2	metacyc	NA	NA
+MetaCyc01916	dihydrolipoate [Dihydrolipoic acid;Dihydrothioctic acid;DHLP;]	C8H16O2S2	208.059171	462-20-4	metacyc	NA	NA
+HMDB12210	Dihydrolipoate	C8H16O2S2	208.059174	NA	HMDB2010	NA	NA
+C02147	Dihydrolipoate	C8H16O2S2	208.0592	NA	KEGG	NA	NA
+C02148	Divalent metal	C8H16O2S2	208.0592	NA	KEGG	NA	NA
+MJ007962	3,5-Dimethyl-2-(3-pyridinyl)-4-thiazolidinone 	C10H12N2OS	208.067033	NA	MeJP	NA	NA
+MJ007963	2-Amino-3,4,5-trihydroxypentanoic acid, 5-Carbamate 	C6H12N2O6	208.069536	NA	MeJP	NA	NA
+MJ007964	1,2-Ethanediol; 4-Hydroxycinnamoyl(E-) 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007965	1,2-Ethanediol; 4-Hydroxycinnamoyl(Z-) 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007966	1-(2,3,6-Trihydroxyphenyl)-3-penten-1-one 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007967	1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3'-Me, 4',5'-methylene ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007968	2,3-Dihydroxy-8-undecene-4,6-diynoic acid 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007969	2-Methoxy-6-(1-methyl-2-oxopropyl)benzoquinone 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007970	3,4-Dihydro-3,4,8-trihydroxy-3-methyl-1(2H)-naphthalenone 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007971	3,4-Dihydro-5,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Me ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007972	3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007973	3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 6-Me ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007974	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 1''-Hydroxy 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007975	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 4R-Hydroxy 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007976	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 4S-Hydroxy 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007977	3-(2,5-Dihydroxyphenyl)-2-propenoic acid; 2-Me ether, Me ester 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007978	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3'-Me, 4',5'-methylene ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007979	3-(4-Methoxyphenoxy)-2-propenoic acid, Me ester 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007980	4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; Di-Me ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007981	4-Acetyl-3-methoxy-5-methylbenzoic acid 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007982	4-Vinyl-1,2,3,5-benzenetetrol; 1,2-Methylene, 3,5-di-Me ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007983	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 7-Me ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007984	Anserinone B; Ketone 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007985	Citreopyrones; Citreopyrone F 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007986	Cladobotrin II 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007987	Convolvulol 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007988	Didemnenone A 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007989	Furapiole 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007990	Homouchinol 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007991	Panepoxydone; 5-Ketone 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007992	Plumbolactone A 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007993	Pyrenocine A 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007994	Pyrenocine D 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007995	Radiatinol; Me ether 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007996	Sinapaldehyde 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007997	Tetrenolin 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007998	Xialenone C; 3a-Deoxy, 4-ketone 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ007999	Xialenone C; 6a-Deoxy, 4-ketone 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MJ008000	Sinapoyl aldehyde 	C11H12O4	208.073558	NA	MeJP	NA	NA
+MetaCyc01917	sinapaldehyde []	C11H12O4	208.073559	NA	metacyc	NA	NA
+MetaCyc01918	(R)-2-benzylsuccinate [(R)-2-benzylsuccinic acid;]	C11H12O4	208.073559	NA	metacyc	NA	NA
+MetaCyc01919	6-methoxymellein [isocoumarin;]	C11H12O4	208.073559	13410-15-6	metacyc	NA	NA
+HMDB12127	(R)-2-Benzylsuccinate	C11H12O4	208.073563	NA	HMDB2010	NA	NA
+C02381	6-Methoxymellein	C11H12O4	208.0736	NA	KEGG	NA	NA
+C05610	Sinapoyl aldehyde	C11H12O4	208.0736	NA	KEGG	NA	NA
+C09816	Benzylsuccinate	C11H12O4	208.0736	NA	KEGG	NA	NA
+C11690	Epibatidine	C11H13ClN2	208.0767	NA	KEGG	NA	NA
+MJ008001	Epibatidine 	C11H13ClN2	208.076726	NA	MeJP	NA	NA
+MJ008002	5-Octen-1-ol, Sulfate 	C8H16O4S	208.076929	NA	MeJP	NA	NA
+8040	synthetic peptide	PWD	208.07895	MH2+	Inhouse_peptide	NA	peptide
+CJpos0549	Kynurenine isomer [(M+H)]+	C10H13N2O3	208.084275	C18rt(min)=4.46 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0549	Kynurenine isomer [(M+H)]+	C10H13N2O3	208.084275	C18rt(min)=4.46 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	http://www.hmdb.ca/metabolites/HMDB00684	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	http://www.hmdb.ca/metabolites/HMDB00684	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	http://www.hmdb.ca/metabolites/HMDB00684	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	http://www.hmdb.ca/metabolites/HMDB00684	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	http://www.hmdb.ca/metabolites/HMDB00684	HMDB	NA	NA
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	Polypeptides  ;SYN:3-(Phenylalanine)-8-lysine oxytocin; 8-L-Lysine vasopressin; ADH; Antidiuretic hormone; Diapid; Pitressin; Pitressin Tannate; PressynH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	http://www.hmdb.ca/metabolites/HMDB00684	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00684	L-Kynurenine	C10H12N2O3	208.08479	HMDB00684	PFEM_hmdb_metabocards_official	NA	NA
+MJ008003	2,3-Diaminopropanoic acid, N3-Benzoyl 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008004	2-Amino-5-oxo-5-(2-pyridinyl)pentanoic acid 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008005	2-Aminobenzoic acid; Amide, N2-(2S-hydroxypropanoyl) 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008006	5,5'-Oxybis[1,5-dihydro-3-methyl-2H-pyrrol-2-one] 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008007	5-Hydroxy-3,4'-dimethyl-[1,2'-bipyrrole]-2,5'(2'H,5H)-dione 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008008	Allobarbital 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008009	Kynurenine 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008010	Formyl-5-hydroxykynurenamine 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MJ008011	L-Kynurenine 	C10H12N2O3	208.084792	NA	MeJP	NA	NA
+MetaCyc01920	kynurenine [L-kynurenine;]	C10H12N2O3	208.084792	343-65-7	metacyc	NA	NA
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	PFEM_hmdb_metabocards_urine	NA	urine
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	HMDB	NA	NA
+HMDB00684	L-Kynurenine	C10H12N2O3	208.084793	NA	HMDB2010	NA	NA
+HMDB12948	Formyl-5-hydroxykynurenamine	C10H12N2O3	208.084793	NA	HMDB2010	NA	NA
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	Inhouse_PFEM	NA	NA
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	PFEM_hmdb_metabocards_blood	NA	blood
+TEST012	kynurenine	C10H12N2O3	208.084793	http://www.hmdb.ca/metabolites/HMDB00684	PFEM_hmdb_metabocards_official	NA	NA
+C00328	L-Kynurenine	C10H12N2O3	208.0848	NA	KEGG	NA	NA
+C01718	Kynurenine	C10H12N2O3	208.0848	NA	KEGG	NA	NA
+C05647	Formyl-5-hydroxykynurenamine	C10H12N2O3	208.0848	NA	KEGG	NA	NA
+C01484	Chalcone	C15H12O	208.0888	NA	KEGG	NA	NA
+C11433	1-Methoxyphenanthrene	C15H12O	208.0888	NA	KEGG	NA	NA
+C15589	Chalcone	C15H12O	208.0888	NA	KEGG	NA	NA
+C15590	Acylglycerol	C15H12O	208.0888	NA	KEGG	NA	NA
+MJ008012	Chalcone 	C15H12O	208.088815	NA	MeJP	NA	NA
+MetaCyc01921	chalcone [1,3-Diphenyl-2-Propen-1-one;chalkone;benzylideneacetophenone;benzalacetophenone;phenylstyryl ketone;]	C15H12O1	208.088815	94-41-7	metacyc	NA	NA
+HMDB03066	Chalcone	C15H12O	208.08882	http://www.hmdb.ca/metabolites/HMDB03066	HMDB	NA	NA
+HMDB03066	Chalcone	C15H12O	208.08882	HMDB03066	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03066	Chalcone	C15H12O	208.088821	NA	HMDB2010	NA	NA
+CJpos0550	N-Acetylphenylalanine [(M+H)]+ (13C)	C1013CH14NO3	208.092375	C18rt(min)=6.6 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0550	N-Acetylphenylalanine [(M+H)]+ (13C)	C1013CH14NO3	208.092375	C18rt(min)=6.6 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0371	N-Acetylphenylalanine [(M-H)]- (13C)	C1013CH12NO3	208.093425	C18rt(min)=6.6 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0371	N-Acetylphenylalanine [(M-H)]- (13C)	C1013CH12NO3	208.093425	C18rt(min)=6.6 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008013	1,3-Di-O-methyl-myo-inositol 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008014	1,4-Di-O-methyl-myo-inositol 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008015	2,3-Di-O-methylglucose 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008016	3,6-Di-O-methylglucose 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008017	Ethyl galactoside; ?-D-Pyranose-form 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008018	Ethyl galactoside; ?-D-Pyranose-form 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008019	Ethyl glucoside; ?-D-Pyranose-form 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008020	chiro-Inositol, 1,4-Di-Me 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008021	muco-Inositol; 1,2-Di-Me 	C8H16O6	208.094688	NA	MeJP	NA	NA
+MJ008022	2-Benzylbenzimidazole 	C14H12N2	208.100048	NA	MeJP	NA	NA
+C04561	Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	C12H16O3	208.1099	NA	KEGG	NA	NA
+C04562	Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate	C12H16O3	208.1099	NA	KEGG	NA	NA
+C10390	Primin	C12H16O3	208.1099	NA	KEGG	NA	NA
+C10430	beta-Asarone	C12H16O3	208.1099	NA	KEGG	NA	NA
+C10451	Elemicin	C12H16O3	208.1099	NA	KEGG	NA	NA
+C15765	Coronafacic acid	C12H16O3	208.1099	NA	KEGG	NA	NA
+C16975	Isoelemicin	C12H16O3	208.1099	NA	KEGG	NA	NA
+C17821	2,4,5-Trimethoxy-1-allylbenzene	C12H16O3	208.1099	NA	KEGG	NA	NA
+C17846	alpha-Asaron	C12H16O3	208.1099	NA	KEGG	NA	NA
+MJ008023	1,2,4-Trimethoxy-5-(1-propenyl)benzene 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008024	1,2,4-Trimethoxy-5-(2-propenyl)benzene 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008025	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, Tri-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008026	12-Oxo-5,8,10-dodecatrienoic acid 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008027	2,3-Dihydro-6-hydroxy-2,2-dimethyl-4H-1-benzopyran-4-one; 4-Alcohol, Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008028	2,6-Dihydroxy-4-isopropylbenzaldehyde; Di-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008029	2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one; Di-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008030	2-(1-Propenyl)-1,3,5-benzenetriol, Tri-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008031	2-Hydroxybenzoic acid; 3-Methylbutyl ester 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008032	2-Isopropyl-5-methyl-1,4-benzenediol; 5-Ac 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008033	2-Methoxy-6-pentyl-1,4-benzoquinone 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008034	3,4-Dihydro-6,8-dihydroxy-3,5,7-trimethyl-1H-2-benzopyran 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008035	3,4-Dihydro-8-methoxy-3,5-dimethyl-1H-2-benzopyran-6-ol 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008036	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, Tri-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008037	3-Hydroxy-3-methyl-2-phenylpentanoic acid 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008038	3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008039	4-(1-Propenyl)-1,2,3-benzenetriol; Tri-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008040	4-(2,5-Dihydroxy-3-methylphenyl)-2-butanone; 2'-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008041	4-(2,5-Dihydroxyphenyl)-2-methyl-3-buten-2-ol; 2-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008042	4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 3',4'-Di-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008043	4-(3,4-Dihydroxyphenyl)-3-buten-2-ol, 3',4'-Di-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008044	4-Hydroxy-2-pinen-6-one, Ac 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008045	5'-Hydroxyjasmonic acid lactone 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008046	5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008047	5-(1-Propenyl)-1,2,3-benzenetriol, Tri-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008048	5-(2-Propenyl)-1,2,3-benzenetriol; Tri-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008049	5-(Hydroxymethyl)-3-(3-methyl-2-butenyl)-1,2-benzenediol 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008050	6-Prenyl-1,2,4-benzenetriol; 2-Me ether 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008051	8-Hydroxy-6-methoxy-3,7-dimethylisochroman 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008052	Calythrone 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008053	Coronafacic acid 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008054	Deisopropylngaione 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008055	Diplosporin; 5-Deoxy 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008056	Elijopyrone D; 1',2'-Dihydro, 1'-oxo 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008057	Jasmine ketolactone 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008058	Jasmonic acid; 3-Epimer, 4,5-didehydro 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008059	Jasmonic acid; 4,5-Didehydro 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008060	Jasmonic acid; 7-Epimer, 11,12-didehydro 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008061	Oudenone 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008062	Senkyunolide A; 3-Hydroxy 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008063	Senkyunolide K 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008064	Xanthostemone 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008065	p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 8,10-Dihydro, 9-Ac 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008066	p-Mentha-1,3,5-triene-8,9-diol; 9-Ac 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MJ008067	1,6,6-Trimethyl-2,7-dioxobicyclo-[3.2.2]nonan-3-one 	C12H16O3	208.109944	NA	MeJP	NA	NA
+MetaCyc01922	benzyl (2r,3s)-2-methyl-3-hydroxybutanoate [3-hydroxy-2-methyl-butanoic acid benzyl ester;]	C12H16O3	208.109944	NA	metacyc	NA	NA
+8019	synthetic peptide	LWV	208.1155	MH2+	Inhouse_peptide	NA	peptide
+CJpos0551	Phe Ser Ser Phe [(M+H)-(CO2)]+	C11H17N2O2	208.120675	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0551	Phe Ser § Ser Phe [(M+H)-(CO2)]+	C11H17N2O2	208.120675	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ008068	2-(1-Phenylethyl)hydrazinecarboxylic acid, Et ester 	C11H16N2O2	208.121177	NA	MeJP	NA	NA
+MJ008069	Aloracetam 	C11H16N2O2	208.121177	NA	MeJP	NA	NA
+MJ008070	Pilocarpine 	C11H16N2O2	208.121177	NA	MeJP	NA	NA
+MJ008071	Safrazine 	C11H16N2O2	208.121177	NA	MeJP	NA	NA
+C07474	Pilocarpine	C11H16N2O2	208.1212	NA	KEGG	NA	NA
+C11071	Aminocarb	C11H16N2O2	208.1212	NA	KEGG	NA	NA
+C14467	cis-1,2-Diphenylcyclobutane	C16H16	208.1252	NA	KEGG	NA	NA
+C14562	2,4-Diphenyl-1-butene	C16H16	208.1252	NA	KEGG	NA	NA
+C15449	trans-1,2-Diphenylcyclobutane	C16H16	208.1252	NA	KEGG	NA	NA
+MJ008072	1,6,8-Hexadecatriene-10,12,14-triyne 	C16H16	208.1252	NA	MeJP	NA	NA
+MJ008073	2,4-Diphenyl-1-butene 	C16H16	208.1252	NA	MeJP	NA	NA
+C14236	4-Heptyloxyphenol	C13H20O2	208.1463	NA	KEGG	NA	NA
+MJ008074	1,5,8-Undecatrien-3-ol, Ac 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008075	1-[5-(2-Butenylidene)tetrahydro-4,4-dimethyl-2-furanyl]-2-propanone 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008076	2,3,4,5-Tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-2,2'-bifuran, 1'',2''-Dihydro 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008077	2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol; 7?-Hydroxy 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008078	2-Hydroxy-5,7-megastigmadien-9-one 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008079	2-Hydroxy-6-pentylbenzyl alcohol; 1'-Me ether 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008080	3,5,8-Megastigmatrien-7-one; 3,4-Dihydro, 3-hydroxy 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008081	3,5,8-Megastigmatrien-7-one; 3,4-Dihydro, 4-hydroxy 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008082	3-Hydroxy-5,7-megastigmadien-9-one 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008083	3-Hydroxy-5,8-megastigmadien-7-one 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008084	4,6,10,12-Tridecatetraene-2,8-diol 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008085	4,7-Megastigmadiene-3,9-diol, 9-Ketone 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008086	4,7-Megastigmadiene-3,9-diol, 3-Ketone 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008087	5,6-Epoxy-7-megastigmen-9-one 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008088	5,9-Epoxy-3,6-megastigmadien-8-ol 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008089	5,9-Epoxy-3,6-megastigmadiene, 6?,7?-Epoxide 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008090	5,9:6,9-Diepoxy-3-megastigmene 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008091	5,9:6,9-Diepoxy-4-megastigmene 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008092	5-Isopropyl-2-methyl-8-oxo-2,6-nonadienal 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008093	5-Megastigmen-7-yne-3,9-diol 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008094	6,10-Dimethyl-5,9-undecadiene-2,8-dione 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008095	Actinidol 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008096	Eremopetasinorol 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008097	Lyratol, Propanoyl 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008098	Prosopidione 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008099	Solanofuran 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008100	Stegobiene 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MJ008101	Theaspirone 	C13H20O2	208.146329	NA	MeJP	NA	NA
+MetaCyc01923	3-hydroxy-9-apo-&beta;-caroten-9-one [3-hydroxy-&beta;-ionone;]	C13H20O2	208.14633	NA	metacyc	NA	NA
+MetaCyc01924	3-hydroxy-9-apo-&delta;-caroten-9-one []	C13H20O2	208.14633	NA	metacyc	NA	NA
+MJ008102	3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008103	Amiterol 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008104	Ammodendrine 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008105	Aspergillic acid, Deoxy 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008106	Chamaecytisus Alkaloid C2 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008107	Elaeokanidine A 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008108	Flavacol 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008109	Lusitanine 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+MJ008110	Tetrahydrocytisine; N-Me 	C12H20N2O	208.157563	NA	MeJP	NA	NA
+C10125	Ammodendrine	C12H20N2O	208.1576	NA	KEGG	NA	NA
+MJ008111	11,13-Tetradecadienal 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008112	15-Nor-2,10-bisaboladien-7-ol 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008113	2,6,10-Trimethyl-5,9-undecadienal 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008114	5-Cyclotetradecen-1-one 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008115	6,10-Dimethyl-9-methylene-5-undecen-2-one 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008116	8,10-Tetradecadienal 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008117	9,11-Tetradecadienal 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008118	9,12-Tetradecadienal 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008119	?-Irone, 7,8-Dihydro 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008120	Anthoplalone; Deformyl 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008121	?-Irone, 7,8-Dihydro 	C14H24O	208.182715	NA	MeJP	NA	NA
+MJ008122	1,8-Pentadecadiene 	C15H28	208.2191	NA	MeJP	NA	NA
+MJ008123	Drimane 	C15H28	208.2191	NA	MeJP	NA	NA
+MJ008124	Eudesmane 	C15H28	208.2191	NA	MeJP	NA	NA
+8073	synthetic peptide	RWG	208.6005	MH2+	Inhouse_peptide	NA	peptide
+HMDB02196	Bismuth	Bi	208.98039	http://www.hmdb.ca/metabolites/HMDB02196	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02196	Bismuth	Bi	208.98039	http://www.hmdb.ca/metabolites/HMDB02196	HMDB	NA	NA
+HMDB02196	Bismuth	Bi	208.98039	http://www.hmdb.ca/metabolites/HMDB02196	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02196	Bismuth	Bi	208.98039	HMDB02196	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02196	Bismuth	[Bi]3+	208.980392	NA	HMDB2010	NA	NA
+C15471	Bismuth	Bi	208.9804	NA	KEGG	NA	NA
+MJ008125	6-Hydroxy-5-benzothiazoleacetic acid 	C9H7NO3S	209.014663	NA	MeJP	NA	NA
+MJ008126	Cassipoureamide A 	C6H11NO3S2	209.018034	NA	MeJP	NA	NA
+MJ008127	4-Chloro-1H-indole-3-acetic acid 	C10H8ClNO2	209.024356	NA	MeJP	NA	NA
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR349	3-Nitrotyrosine F2	NA	209.035375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR349	3-Nitrotyrosine F2	NA	209.035375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR349	3-Nitrotyrosine F2	NA	209.035375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR349	3-Nitrotyrosine F2	NA	209.035375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR349	3-Nitrotyrosine F2	F2	209.035375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ008128	Cysteine, S-(2-Carboxy-2-hydroxyethyl) 	C6H11NO5S	209.035793	NA	MeJP	NA	NA
+MJ008129	S-(2-Carboxyethyl)cysteine, S-Oxide 	C6H11NO5S	209.035793	NA	MeJP	NA	NA
+MJ008130	N-(2-Methoxy-2-propenyl)trimethylammonium(1+); Bromide 	C7H16BrNO	209.041526	NA	MeJP	NA	NA
+C17949	N-Acetyldemethylphosphinothricin	C6H12NO5P	209.0453	NA	KEGG	NA	NA
+MJ008131	2-Amino-4-methyl-5-phosphono-3-pentenoic acid 	C6H12NO5P	209.045309	NA	MeJP	NA	NA
+MJ008132	Benz[g]isoquinoline-5,10-dione 	C13H7NO2	209.047678	NA	MeJP	NA	NA
+MJ008133	(4-Methoxyphenyl)-N-methyl-2-oxothioacetamide 	C10H11NO2S	209.051049	NA	MeJP	NA	NA
+MJ008134	3,4-Dimethoxybenzyl isothiocyanate 	C10H11NO2S	209.051049	NA	MeJP	NA	NA
+MJ008135	5-(4-Methoxyphenyl)-2-oxazolidinethione 	C10H11NO2S	209.051049	NA	MeJP	NA	NA
+MJ008136	Aerugine 	C10H11NO2S	209.051049	NA	MeJP	NA	NA
+MJ008137	Entadamide B 	C7H15NO2S2	209.05442	NA	MeJP	NA	NA
+MJ008138	Elmustine; N'-Me 	C6H12ClN3O3	209.056718	NA	MeJP	NA	NA
+C03710	N-Benzyloxycarbonylglycine	C10H11NO4	209.0688	NA	KEGG	NA	NA
+C05596	p-Hydroxyphenylacetylglycine	C10H11NO4	209.0688	NA	KEGG	NA	NA
+C16591	3-Carbamoyl-2-phenylpropionic acid	C10H11NO4	209.0688	NA	KEGG	NA	NA
+HMDB00735	Hydroxyphenylacetylglycine	C10H11NO4	209.068802	NA	HMDB2010	NA	NA
+MJ008139	4-Hydroxyphenylacetylglycine 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008140	1,2,3,4-Tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylic acid 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008141	2-Amino-3',4'-dihydroxyacetophenone; N-Ac 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008142	2-Amino-3-(3-carboxyphenyl)propanoic acid 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008143	3-(1,2-Dihydroxy-4-isocyano-3-cyclopenten-1-yl)-2-propenoic acid, Me ester 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008144	?-Amino-4-carboxy-2-methylbenzeneacetic acid 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008145	Penidilamine 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MJ008146	Spiroarogenic acid 	C10H11NO4	209.068807	NA	MeJP	NA	NA
+MetaCyc01925	N-Benzyloxycarbonylglycine [N-CBZ-glycine;]	C10H11N1O4	209.068808	1138-80-3	metacyc	NA	NA
+HMDB00735	Hydroxyphenylacetylglycine	C10H11NO4	209.06882	http://www.hmdb.ca/metabolites/HMDB00735	HMDB	NA	NA
+HMDB00735	Hydroxyphenylacetylglycine	C10H11NO4	209.06882	HMDB00735	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0372	3-Methoxysalicylic acid [(M-H)+(CH3CN)]-	C10H10NO4	209.069325	C18rt(min)=6.9 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0373	Methoxysalicylic acid isomer [(M-H)+(CH3CN)]-	C10H10NO4	209.069325	C18rt(min)=6.2 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0372	3-Methoxysalicylic acid [(M-H)+(CH3CN)]-	C10H10NO4	209.069325	C18rt(min)=6.9 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0373	Methoxysalicylic acid isomer [(M-H)+(CH3CN)]-	C10H10NO4	209.069325	C18rt(min)=6.2 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008147	Tolonidine 	C10H12ClN3	209.071975	NA	MeJP	NA	NA
+MJ008148	Tetraethylammonium(1+); Bromide 	C8H20BrN	209.077912	NA	MeJP	NA	NA
+C16420	4-Acetamido-2-amino-6-nitrotoluene	C9H11N3O3	209.08	NA	KEGG	NA	NA
+CJneg0374	Isovalerylalanine isomer [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0375	N-Acetylisoleucine [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.08 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0376	Hexanoylglycine [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.45 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0377	N-Acetylleucine  [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0374	Isovalerylalanine isomer [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0375	N-Acetylisoleucine [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.08 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0376	Hexanoylglycine [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.45 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0377	N-Acetylleucine  [(M+Cl)]-	C8H15ClNO3	209.082425	C18rt(min)=6.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008149	10-Methylacridone 	C14H11NO	209.084063	NA	MeJP	NA	NA
+MJ008150	3-Methyl-9H-carbazoleyl 	C14H11NO	209.084063	NA	MeJP	NA	NA
+C16604	2-Hydroxyiminostilbene	C14H11NO	209.0841	NA	KEGG	NA	NA
+MJ008151	Niranin 	C11H15NOS	209.087434	NA	MeJP	NA	NA
+CJpos0552	Kynurenine isomer [(M+H)]+ (13C)	C913CH13N2O3	209.087575	C18rt(min)=4.46 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0552	Kynurenine isomer [(M+H)]+ (13C)	C913CH13N2O3	209.087575	C18rt(min)=4.46 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ008152	3-(6-Amino-9H-purin-9-yl)-1,2-propanediol 	C8H11N5O2	209.091274	NA	MeJP	NA	NA
+MJ008153	Aciclovir; 6-Deoxy 	C8H11N5O2	209.091274	NA	MeJP	NA	NA
+MetaCyc01926	(S)-9-(2,3-dihydroxypropyl)-adenine []	C8H11N5O2	209.091275	NA	metacyc	NA	NA
+MJ008154	2-(1H-imidazol-4-yl)quinoline; 1'-Me 	C13H11N3	209.095297	NA	MeJP	NA	NA
+MJ008155	2-(1H-imidazol-4-yl)quinoline; 3'-Me 	C13H11N3	209.095297	NA	MeJP	NA	NA
+MJ008156	3,6-Acridinediamine 	C13H11N3	209.095297	NA	MeJP	NA	NA
+MJ008157	Prodigiosene 	C13H11N3	209.095297	NA	MeJP	NA	NA
+C11181	Proflavine	C13H11N3	209.0953	NA	KEGG	NA	NA
+MJ008158	Talipexole 	C10H15N3S	209.098668	NA	MeJP	NA	NA
+8018	synthetic peptide	LWT	209.105	MH2+	Inhouse_peptide	NA	peptide
+MJ008159	1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxyisoquinoline 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008160	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinoline 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008161	1-(3-Methoxy-4,5-methylenedioxyphenyl)-2-propylamine 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008162	2-(2-Ethoxyethoxy)benzamide 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008163	2-Hydroxypropanoic acid, p-Ethoxyanilide 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008164	2-Phenyl-1,2-butanediol, 1-Carbamate 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008165	3-(3,4-Dihydroxyphenyl)propanoic acid; Di-Me ether, amide 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008166	Anisomycin, O-De-Me, O-de-Ac 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008167	Propoxur 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+MJ008168	Tyrosine, N,N-Di-Me 	C11H15NO3	209.105193	NA	MeJP	NA	NA
+C01458	Tyr-OEt	C11H15NO3	209.1052	NA	KEGG	NA	NA
+C12231	Anhalamine	C11H15NO3	209.1052	NA	KEGG	NA	NA
+C14262	p-Lactophenetide	C11H15NO3	209.1052	NA	KEGG	NA	NA
+C14334	Propoxur	C11H15NO3	209.1052	NA	KEGG	NA	NA
+MJ008169	Clathryimine A; Decarboxy 	C15H16N(+)	209.120449	NA	MeJP	NA	NA
+CJpos0553	Phe Ser Ser Phe [(M+H)-(CO2)]+ (13C)	C1013CH17N2O2	209.123975	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0553	Phe Ser § Ser Phe [(M+H)-(CO2)]+ (13C)	C1013CH17N2O2	209.123975	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ008170	Minoxidil 	C9H15N5O	209.12766	NA	MeJP	NA	NA
+MetaCyc01927	minoxidil [loniten;theroxidil;alopexil;]	C9H15N5O1	209.12766	NA	metacyc	NA	NA
+MJ008171	1-(2,5-Dimethoxy-4-methylphenyl)-1-propylamine 	C12H19NO2	209.141578	NA	MeJP	NA	NA
+MJ008172	3,4-Dimethoxyphenethylamine; N,N-Di-Me 	C12H19NO2	209.141578	NA	MeJP	NA	NA
+MJ008173	Bamethan 	C12H19NO2	209.141578	NA	MeJP	NA	NA
+MJ008174	Elaeokanine E 	C12H19NO2	209.141578	NA	MeJP	NA	NA
+MJ008175	Fepradinol 	C12H19NO2	209.141578	NA	MeJP	NA	NA
+MJ008176	4-Hydroxy-3-methoxyphenethylamine; N,N,N-Tri-Me 	C12H20NO2(+)	209.141578	NA	MeJP	NA	NA
+MJ008177	Salicifoline 	C12H20NO2(+)	209.141578	NA	MeJP	NA	NA
+MJ008178	Triacsin B; 6,7,8,9-Tetrahydro 	C11H19N3O	209.152812	NA	MeJP	NA	NA
+MJ008179	Mercaptoundecahydrododecaborate(2-) 	B12H12S2(-)	209.157532	NA	MeJP	NA	NA
+MJ008180	2,4,6-Trimethyl-2,4-decadienoic acid, Amide 	C13H23NO	209.177964	NA	MeJP	NA	NA
+MJ008181	Dicarprine C; N-Me 	C13H23NO	209.177964	NA	MeJP	NA	NA
+MJ008182	Dodecahydro-2-methylpyrido[2,1,6-de]quinolizine, N-Oxide 	C13H23NO	209.177964	NA	MeJP	NA	NA
+MJ008183	Luciduline, 2?-Alcohol 	C13H23NO	209.177964	NA	MeJP	NA	NA
+MJ008184	Pumiliotoxin 209F 	C13H23NO	209.177964	NA	MeJP	NA	NA
+MJ008185	3,5,13-Tetradecatrien-2-amine, 13,14-Dihydro 	C14H27N	209.214349	NA	MeJP	NA	NA
+MJ008186	5,8-Dipropylindolizidine 	C14H27N	209.214349	NA	MeJP	NA	NA
+MJ008187	8-Methyl-5-(4-pentenyl)indolizidine; Dihydro 	C14H27N	209.214349	NA	MeJP	NA	NA
+MetaCyc01928	trichloroanisole []	C7H5O1CL3	209.940598	NA	metacyc	NA	NA
+C11510	2,4.6-Trichloroanisole	C7H5Cl3O	209.9406	NA	KEGG	NA	NA
+MJ008188	2,4-Dichloro-cis,cis-muconate 	C6H4Cl2O4	209.948664	NA	MeJP	NA	NA
+MJ008189	2,5-Dichloro-cis,cis-muconate 	C6H4Cl2O4	209.948664	NA	MeJP	NA	NA
+MetaCyc01929	2,5-dichloro-cis,cis-muconate [2,5-dichloro-cis,cis-muconic acid;]	C6H4O4CL2	209.948664	NA	metacyc	NA	NA
+MetaCyc01930	2,4-dichloro-cis,cis-muconate []	C6H4O4CL2	209.948664	72945-11-0	metacyc	NA	NA
+MetaCyc01931	2,4-dichloro-2,5-dihydro-5-oxofuran-2-acetate [3,5-Dichloro-2,5-dihydro-2-oxofuran-5-acetate;]	C6H4O4CL2	209.948664	NA	metacyc	NA	NA
+C03918	2,4-Dichloro-cis,cis-muconate	C6H4Cl2O4	209.9487	NA	KEGG	NA	NA
+C04625	2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate	C6H4Cl2O4	209.9487	NA	KEGG	NA	NA
+C04627	D-Galactosyl-N-acetyl-alpha-D-galactosaminide	C14H24NO11R	209.9487	NA	KEGG	NA	NA
+C07095	2,5-Dichloro-cis,cis-muconate	C6H4Cl2O4	209.9487	NA	KEGG	NA	NA
+MJ008190	Zinc(II) propanoate 	C6H10O4Zn	209.987055	NA	MeJP	NA	NA
+MJ008191	5-Formyl-2-thiophenecarboxylic acid; Nitrile, thiosemicarbazone 	C7H6N4S2	210.003387	NA	MeJP	NA	NA
+CJpos0554	7-Methylxanthine [(M-H+2Na)]+	C6H5N4Na2O2	210.012375	C18rt(min)=4.01 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0554	7-Methylxanthine [(M-H+2Na)]+	C6H5N4Na2O2	210.012375	C18rt(min)=4.01 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ008192	1,3,5-Benzenetricarboxylic acid 	C9H6O6	210.016437	NA	MeJP	NA	NA
+MJ008193	Fluorocitric acid 	C6H7FO7	210.01758	NA	MeJP	NA	NA
+MetaCyc01932	fluoro-citrate [2-fluoro-L-erythro-citrate;erythrofluorocitrate (isomer);fluoro-citrate;]	C6H7O7F1	210.017581	357-89-1	metacyc	NA	NA
+MJ008194	1-(Methylthio)propyl 1-propenyl disulfide; 2-Oxide 	C7H14OS3	210.020677	NA	MeJP	NA	NA
+MJ008195	1-(Methylthio)propyl 2-propenyl disulfide; 2-Oxide 	C7H14OS3	210.020677	NA	MeJP	NA	NA
+MJ008196	Methyl 1-(1-propenylthio)propyl disulfide, 5-Oxide 	C7H14OS3	210.020677	NA	MeJP	NA	NA
+MJ008197	Methyl 1-(2-propenylthio)propyl disulfide; 5-Oxide 	C7H14OS3	210.020677	NA	MeJP	NA	NA
+CJneg0378	5-hydroxymethyluracil [(M-H)+(HCOONa)]-	C6H6N2NaO5	210.025825	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0378	5-hydroxymethyluracil [(M-H)+(HCOONa)]-	C6H6N2NaO5	210.025825	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008198	2-Nitro-4-(2-nitroethenyl)phenol 	C8H6N2O5	210.027671	NA	MeJP	NA	NA
+MJ008199	Arcamine 	C5H10N2O5S	210.031042	NA	MeJP	NA	NA
+HMDB00639	Galactaric acid	C6H10O8	210.037567	NA	HMDB2010	NA	NA
+HMDB00663	Glucaric acid	C6H10O8	210.037567	NA	HMDB2010	NA	NA
+MJ008200	Allaric acid 	C6H10O8	210.037567	NA	MeJP	NA	NA
+MJ008201	Galactaric acid 	C6H10O8	210.037567	NA	MeJP	NA	NA
+MJ008202	Idaric acid 	C6H10O8	210.037567	NA	MeJP	NA	NA
+MJ008203	D-Galactarate 	C6H10O8	210.037567	NA	MeJP	NA	NA
+MJ008204	D-Glucarate 	C6H10O8	210.037567	NA	MeJP	NA	NA
+MetaCyc01933	D-glucarate [glucarate;D-glucaric acid;L-gularic acid;D-saccharic acid;D-glucosaccharic acid;]	C6H10O8	210.037567	87-73-0	metacyc	NA	NA
+MetaCyc01934	D-galactarate [galactarate;galactaric acid;mucic acid;]	C6H10O8	210.037567	526-99-8	metacyc	NA	NA
+HMDB00639	Galactaric acid	C6H10O8	210.03757	http://www.hmdb.ca/metabolites/HMDB00639	HMDB	NA	NA
+HMDB00663	Glucaric acid	C6H10O8	210.03757	http://www.hmdb.ca/metabolites/HMDB00663	HMDB	NA	NA
+HMDB00639	Galactaric acid	C6H10O8	210.03757	HMDB00639	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00663	Glucaric acid	C6H10O8	210.03757	HMDB00663	PFEM_hmdb_metabocards_official	NA	NA
+C00767	Glucarate	C6H10O8	210.0376	NA	KEGG	NA	NA
+C00818	D-Glucarate	C6H10O8	210.0376	NA	KEGG	NA	NA
+C00879	D-Galactarate	C6H10O8	210.0376	NA	KEGG	NA	NA
+C01807	Galactarate	C6H10O8	210.0376	NA	KEGG	NA	NA
+C01808	Ganglioside	C6H10O8	210.0376	NA	KEGG	NA	NA
+C01810	Glucomannan	H2O	210.0376	NA	KEGG	NA	NA
+C12649	Citric acid monohydrate	C6H8O7	210.0376	NA	KEGG	NA	NA
+MJ008205	4,7-Phenanthroline-5,6-dione 	C12H6N2O2	210.042927	NA	MeJP	NA	NA
+MJ008206	Thibenzazoline 	C9H10N2O2S	210.046298	NA	MeJP	NA	NA
+CJpos0555	Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+	C8H12NaO5	210.049875	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0555	Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+	C8H12NaO5	210.049875	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ008207	8-Methylthio-1,7-tridecadiene-3,5,9,11-tetrayne 	C14H10S	210.050321	NA	MeJP	NA	NA
+MJ008208	Lithium citrate 	C6H5Li3O7	210.051539	NA	MeJP	NA	NA
+C05619	5-Hydroxyferulate	C10H10O5	210.0528	NA	KEGG	NA	NA
+MJ008209	5-Hydroxyferulate 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008210	2,3,4,5-Tetrahydroxybenzaldehyde; 4,5-Di-Me, 2,3-methylene ether 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008211	2,3-Dihydro-5,7,8-trihydroxy-2H-1-benzopyran-4-one; 8-Me ether 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008212	2,4-Diacetyl-1,3,5-benzenetriol 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008213	2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008214	2-(2-Hydroxy-5-methoxyphenoxy)-2-propenoic acid 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008215	2-Acetyl-3,5-dihydroxyphenylacetic acid 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008216	3,4,6-Trihydroxy-2-methylbenzoic acid; 3,4-Methylene, 6-Me ether 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008217	3,4-Dihydro-3,4,6,8-tetrahydroxy-1(2H)-naphthalenone 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008218	3,4-Dihydro-3,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008219	3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 6-Hydroxy 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008220	3,4-Dihydro-5,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008221	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3-Me ether 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008222	3-Acetyl-2,4,6-trihydroxybenzaldehyde; 4-Me ether 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008223	3-Formyl-2,4-dihydroxy-6-methylbenzoic acid; Me ester 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008224	4-Acetyl-2,5-dihydroxy-3-methoxybenzaldehyde 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MJ008225	Stipitatic acid; Et ester 	C10H10O5	210.052823	NA	MeJP	NA	NA
+MetaCyc01935	2-oxo-4-hydroxy-4-(2'-hydroxyphenyl)-butyrate []	C10H10O5	210.052823	NA	metacyc	NA	NA
+MetaCyc01936	5-hydroxy-ferulic-acid [5-hydroxy ferulate;]	C10H10O5	210.052823	NA	metacyc	NA	NA
+HMDB11714	Vanilpyruvic acid	C10H10O5	210.052826	NA	HMDB2010	NA	NA
+MJ008226	Butyl 1-(methylthio)propyl disulfide 	C8H18S3	210.057062	NA	MeJP	NA	NA
+MJ008227	Ethyl 1-(propylthio)propyl disulfide 	C8H18S3	210.057062	NA	MeJP	NA	NA
+JH110	N-acetyl-L-glutamine [M+Na]+	NA	210.0607	1.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH110	N-acetyl-L-glutamine [M+Na]+	NA	210.0607	1.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH110	N-acetyl-L-glutamine [M+Na]+	NA	210.0607	1.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH110	N-acetyl-L-glutamine [M+Na]+	NA	210.0607	1.64	Inhousejuil11	NA	NA
+CJpos0556	Aminosalicyluric acid [(M+H)]+	C9H11N2O4	210.063475	C18rt(min)=4.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0556	Aminosalicyluric acid [(M+H)]+	C9H11N2O4	210.063475	C18rt(min)=4.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ008228	2-Amino-2-(4-hydroxyphenyl)acetic acid, N-Carbamoyl 	C9H10N2O4	210.064056	NA	MeJP	NA	NA
+MetaCyc01937	N-carbamoyl-p-hydroxy-D-phenylglycine []	C9H10N2O4	210.064057	NA	metacyc	NA	NA
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR426	Deoxyuridine F3	NA	210.064275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR426	Deoxyuridine F3	NA	210.064275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR426	Deoxyuridine F3	NA	210.064275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR426	Deoxyuridine F3	NA	210.064275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR426	Deoxyuridine F3	F3	210.064275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0379	Aminosalicyluric acid [(M-H)]-	C9H9N2O4	210.064625	C18rt(min)=4.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0379	Aminosalicyluric acid [(M-H)]-	C9H9N2O4	210.064625	C18rt(min)=4.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0380	Suberic acid [M+Cl]-	C8H14O4Cl	210.066425	C18rt(min)=6.46 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0380	Suberic acid [M+Cl]-	C8H14O4Cl	210.066425	C18rt(min)=6.46 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008229	Golfomycin A 	C14H10O2	210.068079	NA	MeJP	NA	NA
+MetaCyc01938	phenanthrene-3,4-diol []	C14H10O2	210.06808	NA	metacyc	NA	NA
+C03164	Phenanthrene-3,4-diol	C14H10O2	210.0681	NA	KEGG	NA	NA
+C16204	1,2-Anthracenediol	C14H10O2	210.0681	NA	KEGG	NA	NA
+C16206	9,10-Dihydroxyanthracene	C14H10O2	210.0681	NA	KEGG	NA	NA
+MJ008230	Thiolactomycin 	C11H14O2S	210.07145	NA	MeJP	NA	NA
+C11165	Thiolactomycin	C11H14O2S	210.0715	NA	KEGG	NA	NA
+CJneg0381	Methoxysalicylic acid isomer [(M-H)+(CH3CN)]- (13C)	C913CH10NO4	210.072725	C18rt(min)=6.2 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0381	Methoxysalicylic acid isomer [(M-H)+(CH3CN)]- (13C)	C913CH10NO4	210.072725	C18rt(min)=6.2 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB03219	Sedoheptulose	C7H14O7	210.07394	http://www.hmdb.ca/metabolites/HMDB03219	HMDB	NA	NA
+HMDB03219	Sedoheptulose	C7H14O7	210.07394	HMDB03219	PFEM_hmdb_metabocards_official	NA	NA
+MJ008231	Sedoheptulose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008232	D-glycero-D-altro-Heptose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008233	D-glycero-D-galacto-Heptose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008234	D-glycero-D-gluco-Heptose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008235	D-glycero-D-manno-Heptose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008236	D-glycero-L-manno-Heptose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008237	L-glycero-D-manno-Heptose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008238	allo-2-Heptulose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008239	altro-2-Heptulose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008240	altro-3-Heptulose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008241	galacto-2-Heptulose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008242	ido-2-Heptulose; ?-L-Pyranose-form 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MJ008243	manno-2-Heptulose 	C7H14O7	210.073952	NA	MeJP	NA	NA
+MetaCyc01939	D-sedoheptulose []	C7H14O7	210.073953	3019-74-7	metacyc	NA	NA
+HMDB03219	Sedoheptulose	C7H14O7	210.073959	NA	HMDB2010	NA	NA
+C02076	Sedoheptulose	C7H14O7	210.074	NA	KEGG	NA	NA
+C08236	alpha-D-Mannoheptulopyranose	C7H14O7	210.074	NA	KEGG	NA	NA
+C08355	beta-D-Sedoheptulopyranose	C7H14O7	210.074	NA	KEGG	NA	NA
+CJneg0382	Deoxyhexose [(M-H)+(HCOOH)]-	C7H13O7	210.074525	C18rt(min)=0.91 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0382	Deoxyhexose [(M-H)+(HCOOH)]-	C7H13O7	210.074525	C18rt(min)=0.91 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB02123	1,3,7-Trimethyluric acid	C8H10N4O3	210.075287	NA	HMDB2010	NA	NA
+HMDB02123	1,3,7-Trimethyluric acid	C8H10N4O3	210.07529	http://www.hmdb.ca/metabolites/HMDB02123	HMDB	NA	NA
+HMDB02123	1,3,7-Trimethyluric acid	C8H10N4O3	210.07529	HMDB02123	PFEM_hmdb_metabocards_official	NA	NA
+C16361	1,3,7-Trimethyluric acid	C8H10N4O3	210.0753	NA	KEGG	NA	NA
+C12143	2-Aminoacridone	C13H10N2O	210.0793	NA	KEGG	NA	NA
+MJ008244	1-Acetyl-?-carboline 	C13H10N2O	210.079312	NA	MeJP	NA	NA
+MJ008245	1-Phenazinol; Me ether 	C13H10N2O	210.079312	NA	MeJP	NA	NA
+MJ008246	8-Hydroxy-1-vinyl-?-carboline 	C13H10N2O	210.079312	NA	MeJP	NA	NA
+MJ008247	Pyocyanine 	C13H10N2O	210.079312	NA	MeJP	NA	NA
+7920	synthetic peptide	QHH	210.087	MH2+	Inhouse_peptide	NA	peptide
+CJneg0383	Azelaic acid [(M-2H+Na)]-	C9H14NaO4	210.087325	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0383	Azelaic acid [(M-2H+Na)]-	C9H14NaO4	210.087325	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc01940	N4-Phosphoagmatine []	C5H15N4O3P1	210.088177	NA	metacyc	NA	NA
+C02726	N4-Phosphoagmatine	C5H15N4O3P	210.0882	NA	KEGG	NA	NA
+C02325	Sinapyl alcohol	C11H14O4	210.0892	NA	KEGG	NA	NA
+C02327	Thiogalactoside	C6H11O5SR	210.0892	NA	KEGG	NA	NA
+C07350	3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one	C11H14O4	210.0892	NA	KEGG	NA	NA
+C07351	Phlorisobutyrophenone	C11H14O4	210.0892	NA	KEGG	NA	NA
+C10709	Multifidol	C11H14O4	210.0892	NA	KEGG	NA	NA
+MJ008248	Sinapyl alcohol 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008249	1-(2,4,6-Trihydroxyphenyl)-1-butanone; 4-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008250	1-(3,4,5-Trihydroxyphenyl)-1-propanone; 3',5'-Di-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008251	1a,2,3,5,6,7b-Hexahydro-2-hydroxy-6,6-dimethyl-4H-oxireno[h][1]benzopyran-4-one 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008252	1a,2,4,5,7,7a-Hexahydro-2-hydroxy-4,4-dimethyl-6H-oxireno[g][1]benzopyran-6-one 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008253	2',4',6'-Trihydroxy-3',5'-dimethylacetophenone; 4'-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008254	2',4',6'-Trihydroxy-3'-methylacetophenone; 2',4'-Di-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008255	2',4',6'-Trihydroxy-3'-methylacetophenone; 4',6'-Di-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008256	2',4',6'-Trihydroxyacetophenone; Tri-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008257	2',4'-Dihydroxyacetophenone; 4'-O-(2-Hydroxypropyl) 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008258	2,3-Dimethoxy-5-propyl-1,4-benzoquinone 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008259	2,4-Dihydroxy-3,5,6-trimethylbenzoic acid; Me ester 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008260	2,4-Dihydroxy-3,6-dimethylbenzoic acid; Et ester 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008261	2-Hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone; ?-O-Et 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008262	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008263	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008264	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008265	3-(2,4-Dihydroxyphenyl)propanoic acid; 4-Me ether, Me ester 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008266	3-(3,4,5-Trihydroxyphenyl)propanal; 3,5-Di-Me ether 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008267	3-Hydroxy-5-(4-hydroxyphenyl)pentanoic acid 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008268	3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008269	6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid; Me ester 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008270	9,10-Epoxy-8-hydroxy-9-methyl-2,4,6-decatrienoic acid 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008271	Agistatin A; Demethoxy, 2,3-didehydro 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008272	Anserinone B 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008273	Canadensolide 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008274	Cladobotrin II; 1'-Alcohol 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008275	Didemnenone C 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008276	Isopanepoxydone 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008277	Kobifuranone B; 1''-Hydroxy (ketone hydrate) 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008278	Neopanepoxydol; 5-Ketone 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008279	Panepoxydone 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008280	Pyrenocine A; 1'-Alcohol 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008281	Sinapyl alcohol 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008282	Terrestric acid 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MJ008283	Xialenone C; 3a-Deoxy 	C11H14O4	210.089208	NA	MeJP	NA	NA
+MetaCyc01941	sinapyl-alcohol []	C11H14O4	210.089209	NA	metacyc	NA	NA
+MetaCyc01942	phlorisovalerophenone [3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one;PIVP;]	C11H14O4	210.089209	NA	metacyc	NA	NA
+MetaCyc01943	6-(4-methyl-2-oxopentyl)-4-hydroxy-2-pyrone []	C11H14O4	210.089209	NA	metacyc	NA	NA
+MJ008284	3-Ethyl-4-methyl-1-pentanol, O-Sulfate 	C8H18O4S	210.092579	NA	MeJP	NA	NA
+MJ008285	6-Methyl-1-heptanol; O-Sulfate 	C8H18O4S	210.092579	NA	MeJP	NA	NA
+CJpos0557	Glu-Val [(M+H)-2(H2O)]+	C10H15N2O3	210.099875	C18rt(min)=4.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0557	Glu-Val [(M+H)-2(H2O)]+	C10H15N2O3	210.099875	C18rt(min)=4.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C07826	Aprobarbital	C10H14N2O3	210.1004	NA	KEGG	NA	NA
+C15986	2,6-Dihydroxypseudooxynicotine	C10H14N2O3	210.1004	NA	KEGG	NA	NA
+MJ008286	2,4-Diamino-3-hydroxybenzoic acid; N2,N4-Di-Me, Me ester 	C10H14N2O3	210.100442	NA	MeJP	NA	NA
+MJ008287	2-Amino-4-hydroxy-3-methyl-4-(2-pyridinyl)butanoic acid 	C10H14N2O3	210.100442	NA	MeJP	NA	NA
+MJ008288	5-Hydroxy-3,4'-dimethyl-[1,2'-bipyrrole]-2,5'(2'H,5H)-dione; 3',4'-Dihydro 	C10H14N2O3	210.100442	NA	MeJP	NA	NA
+MJ008289	Aprobarbital 	C10H14N2O3	210.100442	NA	MeJP	NA	NA
+MJ008290	Chinese bittersweet alkaloid I 	C10H14N2O3	210.100442	NA	MeJP	NA	NA
+MJ008291	Octahydro-2-hydroxy-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione 	C10H14N2O3	210.100442	NA	MeJP	NA	NA
+MetaCyc01944	2,6-dihydroxypseudooxynicotine []	C10H14N2O3	210.100442	NA	metacyc	NA	NA
+FL1D99NS0001	Dihydrochalcone	C15H14O	210.10446	1083-30-3	knapsack	NA	NA
+MJ008292	1,3-Diphenyl-1-propanone 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008293	1-(4-Hydroxyphenyl)-2-phenylethylene, Me ether 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008294	2,2-Dimethylnaphtho[1,2-b]pyran 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008295	4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008296	5,7-Pentadecadien-9,11,13-triynal 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008297	5,7-Pentadecadiene-9,11,13-triyn-2-one 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008298	Chromolaenin; 9,10-Didehydro 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008299	Linderazulene 	C15H14O	210.104465	NA	MeJP	NA	NA
+MJ008300	Obtusastyrene 	C15H14O	210.104465	NA	MeJP	NA	NA
+C09696	Lactaroviolin	C15H14O	210.1045	NA	KEGG	NA	NA
+C14679	p-Methoxystilbene	C15H14O	210.1045	NA	KEGG	NA	NA
+7981	synthetic peptide	HKH	210.105	MH2+	Inhouse_peptide	NA	peptide
+7986	synthetic peptide	KHH	210.105	MH2+	Inhouse_peptide	NA	peptide
+MJ008301	1H-Imidazole-4,5-dicarboxamide; N1-Et, 4N,5N-di-Me 	C9H14N4O2	210.111675	NA	MeJP	NA	NA
+MJ008302	2,5-Dimethyl-3-(2-phenylethenyl)pyrazine 	C14H14N2	210.115698	NA	MeJP	NA	NA
+MJ008303	Naphazoline 	C14H14N2	210.115698	NA	MeJP	NA	NA
+MJ008304	1-Hydroxy-11,12,13-trinor-7,10-chiloscyphanolide 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008305	1-Hydroxy-3,7-dimethyl-2,6-octadien-4-one, Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008306	12-Hydroxy-5,8,10-dodecatrienoic acid 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008307	2(10)-Pinene-3,6-diol, 6-Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008308	2,10-Dihydroxy-11,12,13-trinor-6-eremophilen-8-one 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008309	2-(2-Acetoxy-1-methylethenyl)-5-methylcyclopentanecarboxaldehyde 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008310	3-Myodeserten-1-ol, Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008311	7-Hydroxy-p-menth-1-en-3-one, Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008312	8-Hydroxy-p-menth-6-en-2-one, Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008313	Crocinervolide 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008314	Elijopyrone D; 1',2'-Dihydro, 1'-hydroxy 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008315	Jasmonic acid 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008316	Libanotic acid 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008317	Patulolide C; 5-Ketone 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008318	Pulchellon 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008319	Putaminoxin C 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008320	Sedanonic acid 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008321	Umuravumbolide; O-De-Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008322	p-Mentha-1(7),2-diene-8,9-diol; 9-Ac 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008323	p-Mentha-1,3,5-triene-2,3,5-triol; 2,3-Di-Me ether 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MJ008324	p-Mentha-1,3,5-triene-2,3,5-triol; 3,5-Di-Me ether 	C12H18O3	210.125594	NA	MeJP	NA	NA
+MetaCyc01945	(-)-jasmonate [(-)-jasmonic acid;jasmonic acid;(3R,7R)-(-)-jasmonate;]	C12H18O3	210.125594	NA	metacyc	NA	NA
+MetaCyc01946	(+)-7-isojasmonate [(+)-7-isojasmonic acid;isojasmonic acid;(3R,7S)-(+)-7-isojasmonate;]	C12H18O3	210.125594	NA	metacyc	NA	NA
+MetaCyc01947	(+)-jasmonate [(3S,7S) (+)-jasmonate;]	C12H18O3	210.125594	NA	metacyc	NA	NA
+MetaCyc01948	(-)-7-isojasmonate [(3S,7R)-(-)-7-isojasmonate;]	C12H18O3	210.125594	NA	metacyc	NA	NA
+C08491	(-)-Jasmonic acid	C12H18O3	210.1256	NA	KEGG	NA	NA
+C16317	(+)-7-Isojasmonic acid	C12H18O3	210.1256	NA	KEGG	NA	NA
+MJ008325	1-Hydroxy-3-isobutyl-6-isopropyl-2(1H)-pyrazinone 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008326	1-Hydroxy-6-isopropyl-3-(1-methylpropyl)-2(1H)-pyrazinone 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008327	1H-Imidazole-1-octanoic acid 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008328	Cyclo(4-methylprolylnorvalyl) 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008329	Cyclo(leucylprolyl) 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008330	Loline; N-De-Me, N-(2-methylpropanoyl) 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008331	Loline; N-De-Me, N-butanoyl 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008332	Mutaaspergillic acid; N-Deoxy 	C11H18N2O2	210.136827	NA	MeJP	NA	NA
+MJ008333	1,6,8,14-Hexadecatetraene-10,12-diyne 	C16H18	210.14085	NA	MeJP	NA	NA
+MJ008334	1,7-Hexadecadiene-10,12,14-triyne 	C16H18	210.14085	NA	MeJP	NA	NA
+C17063	Salicifoline	C12H20NO2	210.1494	NA	KEGG	NA	NA
+MJ008335	Tris(dimethylamino)-1,3,5-triazine 	C9H18N6	210.159294	NA	MeJP	NA	NA
+MJ008336	1,5-Undecadien-3-ol, Ac 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008337	2,4,6-Trimethyl-2,4-decadienoic acid 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008338	2,6-Dodecadienoic acid, Me ester 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008339	3,3,6-Trimethyl-1,5-heptadien-4-ol, Propanoyl 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008340	3,7-Dimethyl-2,7-octadien-1-ol, Propanoyl 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008341	3-Hydroxy-5,8-megastigmadien-7-one, 8,9-Dihydro 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008342	4,7-Megastigmadiene-3,9-diol 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008343	4-Octyl-1,3-cyclopentanedione 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008344	5(13),7-Megastigmadiene-6,9-diol 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008345	5-Megastigmene-3,9-diol; 3?-form, 9-Ketone 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008346	5-Methyl-2-octyl-3(2H)-furanone 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008347	7-Methyl-3-methylene-7-octen-1-ol; Propanoyl 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008348	9,10-Epoxytetrahydroedulan 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008349	9-Hydroxy-4-megastigmen-3-one 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008350	9-Hydroxy-5-megastigmen-4-one 	C13H22O2	210.161979	NA	MeJP	NA	NA
+MJ008351	1-Aminopyrrolizidine, N1-(2-Methylbutanoyl) 	C12H22N2O	210.173213	NA	MeJP	NA	NA
+MJ008352	4,5-Dihydro-N-(2-propylcyclohexyl)-2-oxazolamine 	C12H22N2O	210.173213	NA	MeJP	NA	NA
+MJ008353	Cytisus laburnum Alkaloid 	C12H22N2O	210.173213	NA	MeJP	NA	NA
+MJ008354	N-(2-Ethyl-6-methylcyclohexyl)-4,5-dihydro-2-oxazolamine 	C12H22N2O	210.173213	NA	MeJP	NA	NA
+MJ008355	Pexantel 	C12H22N2O	210.173213	NA	MeJP	NA	NA
+MJ008356	11-Nor-8,9-drimanediol, 9-Deoxy 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008357	11-Tetradecenal 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008358	2,4-Tetradecadien-1-ol 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008359	4,6,8-Trimethyl-7,9-undecadien-5-ol 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008360	5-Tetradecenal 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008361	7-Methyl-3-propyl-2,6-decadien-1-ol 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008362	7-Tetradecen-2-one 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008363	7-Tetradecenal 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008364	9,12-Tetradecadien-1-ol 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008365	9-Tetradecenal 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008366	Cyclotetradecanone 	C14H26O	210.198365	NA	MeJP	NA	NA
+MJ008367	1-Pentadecene 	C15H30	210.23475	NA	MeJP	NA	NA
+MJ008368	7-Pentadecene 	C15H30	210.23475	NA	MeJP	NA	NA
+7907	synthetic peptide	HEH	210.579	MH2+	Inhouse_peptide	NA	peptide
+7979	synthetic peptide	EHH	210.579	MH2+	Inhouse_peptide	NA	peptide
+7863	peptide from prawn muscle (Penaeus japonicus)	FKK	210.628	MH2+	Inhouse_peptide	NA	peptide
+MJ008369	5-Bromo-5-nitro-1,3-dioxane 	C4H6BrNO4	210.94802	NA	MeJP	NA	NA
+MJ008370	(3-Bromo-4-hydroxyphenyl)acetic acid; Nitrile 	C8H6BrNO	210.963276	NA	MeJP	NA	NA
+MJ008371	6-Bromo-5-hydroxy-1H-indole 	C8H6BrNO	210.963276	NA	MeJP	NA	NA
+MJ008372	Selenomethionine, Se-Me 	C6H14NO2Se(+)	211.01115	NA	MeJP	NA	NA
+MJ008373	3,5-Dinitrobenzoic acid; Amide 	C7H5N3O5	211.02292	NA	MeJP	NA	NA
+JH115	Kynurenic acid [M+Na]+	NA	211.0246	12.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH115	Kynurenic acid [M+Na]+	NA	211.0246	12.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH115	Kynurenic acid [M+Na]+	NA	211.0246	12.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH115	Kynurenic acid [M+Na]+	NA	211.0246	12.5	Inhousejuil11	NA	NA
+C02305	Phosphocreatine	C4H10N3O5P	211.0358	NA	KEGG	NA	NA
+MJ008374	Phosphocreatine 	C4H10N3O5P	211.035807	NA	MeJP	NA	NA
+MetaCyc01949	creatine-phosphate [N-phosphocreatine;neo-ton;phosphorylcreatine;phosphocreatine;P-creatine;creatine-P;]	C4H10N3O5P1	211.035807	67-07-2	metacyc	NA	NA
+HMDB01511	Phosphocreatine	C4H10N3O5P	211.03581	http://www.hmdb.ca/metabolites/HMDB01511	HMDB	NA	NA
+HMDB01511	Phosphocreatine	C4H10N3O5P	211.03581	HMDB01511	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01511	Phosphocreatine	C4H10N3O5P	211.035812	NA	HMDB2010	NA	NA
+C14266	p-Chloroacetoacetanilide	C10H10ClNO2	211.04	NA	KEGG	NA	NA
+MJ008375	Chlorthenoxazine 	C10H10ClNO2	211.040006	NA	MeJP	NA	NA
+HMDB11639	Topaquinone	C9H9NO5	211.048065	NA	HMDB2010	NA	NA
+MJ008376	5-(2'-Formylethyl)-4,6-dihydroxypicolinate 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008377	2,3-Dihydroxybenzoylglycine 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008378	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Hydroxy, O7-Me 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008379	2-Amino-3,6-dihydroxybenzoic acid; N-Ac 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008380	3-(4-Hydroxy-3-nitrophenyl)propanoic acid 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008381	Betalamic acid 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008382	Muscaflavin 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MJ008383	?-Amino-3-carboxy-4-hydroxybenzeneacetic acid 	C9H9NO5	211.048072	NA	MeJP	NA	NA
+MetaCyc01950	topaquinone [6-hydroxydopa quinone;]	C9H9N1O5	211.048072	NA	metacyc	NA	NA
+MetaCyc01951	DIMBOA [2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one;]	C9H9N1O5	211.048072	NA	metacyc	NA	NA
+MetaCyc01952	2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one []	C9H9N1O5	211.048072	NA	metacyc	NA	NA
+C04720	DIMBOA	C9H9NO5	211.0481	NA	KEGG	NA	NA
+C05654	5-(2'-Formylethyl)-4,6-dihydroxypicolinate	C9H9NO5	211.0481	NA	KEGG	NA	NA
+C08538	Betalamic acid	C9H9NO5	211.0481	NA	KEGG	NA	NA
+CJpos0558	Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+ (13C)	C713CH12NaO5	211.053275	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0558	Dihydroxyphenylethyleneglycol isomer [(M+Na)+(H2O)]+ (13C)	C713CH12NaO5	211.053275	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	HMDB	NA	NA
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	Inhouse_PFEM	NA	NA
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC026	UNKNOWN signif manip paracetamol	NA	211.0548	RT1.9	PFEM_hmdb_metabocards_official	NA	NA
+C13280	Nicorandil	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13281	Transferred to D01811	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13282	Transferred to D01812	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13283	Transferred to D01813	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13284	Transferred to D01814	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13285	Transferred to D01815	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13286	Transferred to D01816	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13287	Transferred to D01817	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13288	Transferred to D01818	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13289	Transferred to D01819	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13290	Transferred to D01820	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13291	Transferred to D01821	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13292	Transferred to D01822	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13293	Transferred to D01823	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13294	Transferred to D01824	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13295	Transferred to D01825	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+C13296	Transferred to D01826	C8H9N3O4	211.0593	NA	KEGG	NA	NA
+MJ008384	Nicorandil 	C8H9N3O4	211.059305	NA	MeJP	NA	NA
+MJ008385	N-(3-Chlorophenyl)imidodicarbonimidic diamide 	C8H10ClN5	211.062473	NA	MeJP	NA	NA
+C13646	m-Chlorophenylbiguanide	C8H10ClN5	211.0625	NA	KEGG	NA	NA
+C13647	Transferred to D02115	C8H10ClN5	211.0625	NA	KEGG	NA	NA
+C13648	Transferred to D02116	C8H10ClN5	211.0625	NA	KEGG	NA	NA
+C13649	Transferred to D02117	C8H10ClN5	211.0625	NA	KEGG	NA	NA
+C10923	2-Nitrofluorene	C13H9NO2	211.0633	NA	KEGG	NA	NA
+C14952	3-Amino-6H-dibenzo[b,d]pyran-6-one	C13H9NO2	211.0633	NA	KEGG	NA	NA
+MJ008386	1-Hydroxy-9H-carbazole-3-carboxaldehyde 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+MJ008387	1-Hydroxyacridone 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+MJ008388	2-Hydroxy-9H-carbazole-3-carboxylic acid; 3-Aldehyde 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+MJ008389	3-Methyl-1H-carbazole-1,4(9H)-dione 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+MJ008390	7-Hydroxy-9H-carbazole-3-carboxaldehyde 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+MJ008391	Dielsinol; Deoxy 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+MJ008392	Onychine; 8-Hydroxy 	C13H9NO2	211.063328	NA	MeJP	NA	NA
+CJpos0559	Aminosalicyluric acid [(M+H)]+ (13C)	C813CH11N2O4	211.066875	C18rt(min)=4.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0559	Aminosalicyluric acid [(M+H)]+ (13C)	C813CH11N2O4	211.066875	C18rt(min)=4.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0384	Aminosalicyluric acid [(M-H)]- (13C)	C813CH9N2O4	211.067925	C18rt(min)=4.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0384	Aminosalicyluric acid [(M-H)]- (13C)	C813CH9N2O4	211.067925	C18rt(min)=4.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008393	8-Amino-1-hydroxyphenazine 	C12H9N3O	211.074561	NA	MeJP	NA	NA
+MJ008394	?-Carboline-1-carboxylic acid; Amide 	C12H9N3O	211.074561	NA	MeJP	NA	NA
+MJ008395	Milrinone 	C12H9N3O	211.074561	NA	MeJP	NA	NA
+C07224	Milrinone	C12H9N3O	211.0746	NA	KEGG	NA	NA
+MJ008396	Fenaclon 	C11H14ClNO	211.076391	NA	MeJP	NA	NA
+HMDB01434	3-Methoxytyrosine	C10H13NO4	211.084457	NA	HMDB2010	NA	NA
+HMDB11754	Methyldopa	C10H13NO4	211.084457	NA	HMDB2010	NA	NA
+MJ008397	2-Amino-3-(2,4-dihydroxy-6-methylphenyl)propanoic acid 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008398	2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008399	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3'-Me ether 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008400	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, Me ester 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008401	2-Amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008402	4-(2-Formyl-5-hydroxymethyl-1H-pyrrol-1-yl)butanoic acid 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008403	Enicoflavine 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008404	Lisadimate 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MJ008405	Norepinephrine, N-Ac 	C10H13NO4	211.084457	NA	MeJP	NA	NA
+MetaCyc01953	&alpha;-methyldopa [&alpha;-methyl-L-dopa;&alpha;-methyldopa;]	C10H13N1O4	211.084458	555-30-6	metacyc	NA	NA
+HMDB01434	3-Methoxytyrosine	C10H13NO4	211.08446	http://www.hmdb.ca/metabolites/HMDB01434	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01434	3-Methoxytyrosine	C10H13NO4	211.08446	http://www.hmdb.ca/metabolites/HMDB01434	HMDB	NA	NA
+HMDB01434	3-Methoxytyrosine	C10H13NO4	211.08446	NA  ;SYN:L-N-amidinoaspartic acid; N-(aminoiminomethyl)-L-aspartic acid; N-Amidino-L-aspartate; N-amidino-L-aspartic acid; N-carbamimidoyl-L-aspartic acid; GuanidinosuccinateH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB01434	3-Methoxytyrosine	C10H13NO4	211.08446	http://www.hmdb.ca/metabolites/HMDB01434	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01434	3-Methoxytyrosine	C10H13NO4	211.08446	HMDB01434	PFEM_hmdb_metabocards_official	NA	NA
+C07194	Methyldopa anhydrous	C10H13NO4	211.0845	NA	KEGG	NA	NA
+C09946	Enicoflavine	C10H13NO4	211.0845	NA	KEGG	NA	NA
+MJ008406	1-(6-Chloro-2-pyridinyl)-4-piperidinamine 	C10H14ClN3	211.087625	NA	MeJP	NA	NA
+MJ008407	Chlorobethanidine 	C10H14ClN3	211.087625	NA	MeJP	NA	NA
+MJ008408	Pentopyranine A 	C9H13N3O3	211.095691	NA	MeJP	NA	NA
+MJ008409	Zalcitabine 	C9H13N3O3	211.095691	NA	MeJP	NA	NA
+C07207	Zalcitabine	C9H13N3O3	211.0957	NA	KEGG	NA	NA
+MJ008410	1-Hydroxy-3-methyl-9H-carbazole; Me ether 	C14H13NO	211.099714	NA	MeJP	NA	NA
+MJ008411	2-Hydroxy-3-methyl-9H-carbazole; Me ether 	C14H13NO	211.099714	NA	MeJP	NA	NA
+MJ008412	3-Hydroxy-6-methyl-9H-carbazole; Me ether 	C14H13NO	211.099714	NA	MeJP	NA	NA
+MJ008413	4-Hydroxy-6-methyl-9H-carbazole; Me ether 	C14H13NO	211.099714	NA	MeJP	NA	NA
+MJ008414	Norletimol 	C14H13NO	211.099714	NA	MeJP	NA	NA
+8149	peptide derived from bovine k-casein (28-30)	IQY	211.1025	MH2+	Inhouse_peptide	NA	peptide
+8180	peptide derived from bovine k-casein (28-30)	IQY	211.1025	MH2+	Inhouse_peptide	NA	peptide
+8267	f(28-30) of bovine kappa casein	IQY	211.1025	MH2+	Inhouse_peptide	NA	peptide
+MJ008415	Heteromine H 	C8H13N5O2	211.106924	NA	MeJP	NA	NA
+MJ008416	N-(3-Chloropropyl)-?-methylphenethylamine 	C12H18ClN	211.112777	NA	MeJP	NA	NA
+MJ008417	Xylamine 	C12H18ClN	211.112777	NA	MeJP	NA	NA
+MJ008418	Pramipexole 	C10H17N3S	211.114318	NA	MeJP	NA	NA
+3769	dipeptidyl carboxypeptidase inhibitor	PPLP	211.12	MH2+	Inhouse_peptide	NA	peptide
+7656	ACE inhibitor from wakame	IYK	211.1205	MH2+	Inhouse_peptide	NA	peptide
+8229	ACE inhibitor	IKY	211.1205	MH2+	Inhouse_peptide	NA	peptide
+C06546	Mescaline	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07056	Isoproterenol	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07057	Transferred to D00347	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07058	Transferred to D00348	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07059	Transferred to D00349	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07060	Transferred to D00350	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07061	Transferred to D00351	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07144	Metaproterenol	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07145	Transferred to D00379	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C07513	Methoxamine	C11H17NO3	211.1208	NA	KEGG	NA	NA
+C11703	L-Isoprenaline	C11H17NO3	211.1208	NA	KEGG	NA	NA
+MJ008419	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Me, O7-Ac 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008420	3-Hydroxy-4,5-dimethoxyphenethylamine; N-Me 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008421	Dioxethedrin 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008422	Isoprenaline 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008423	Macromerine, N-De-Me 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008424	Mescaline 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008425	Metanephrine; N-Me 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008426	Methoxamine 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008427	Orciprenaline 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008428	Tetrahydrocantleyine 	C11H17NO3	211.120843	NA	MeJP	NA	NA
+MJ008429	?-Methyl-?-phenylbenzeneethanamine 	C15H17N	211.136099	NA	MeJP	NA	NA
+MJ008430	Dibenzylamine; N-Me 	C15H17N	211.136099	NA	MeJP	NA	NA
+MJ008431	Flerobuterol 	C12H18FNO	211.137242	NA	MeJP	NA	NA
+C10592	Elaeokanine C	C12H21NO2	211.1572	NA	KEGG	NA	NA
+MJ008432	8-Azabicyclo[3.2.1]octan-3-ol, O-(2-Methylbutanoyl) 	C12H21NO2	211.157228	NA	MeJP	NA	NA
+MJ008433	8-Azabicyclo[3.2.1]octan-3-ol, O-(3-Methylbutanoyl) 	C12H21NO2	211.157228	NA	MeJP	NA	NA
+MJ008434	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(2-Methylpropanoyl) 	C12H21NO2	211.157228	NA	MeJP	NA	NA
+MJ008435	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Butanoyl 	C12H21NO2	211.157228	NA	MeJP	NA	NA
+MJ008436	Elaeokanine C 	C12H21NO2	211.157228	NA	MeJP	NA	NA
+MJ008437	Epilupinine, Ac 	C12H21NO2	211.157228	NA	MeJP	NA	NA
+MJ008438	Pumiliotoxin C, 6R-Hydroxy 	C13H25NO	211.193614	NA	MeJP	NA	NA
+7921	synthetic peptide	MHH	211.5782	MH2+	Inhouse_peptide	NA	peptide
+8227	ACE inhibitor	IEY	211.5945	MH2+	Inhouse_peptide	NA	peptide
+7655	ACE inhibitor from wakame	YNK	211.59995	MH2+	Inhouse_peptide	NA	peptide
+HMDB06469	Linoleyl carnitine	C25H45NO4	211.6674345	MH2+	Inhouse_peptide	NA	peptide
+MJ008439	3,3-Dibromo-2-propenal 	C3H2Br2O	211.847239	NA	MeJP	NA	NA
+MJ008440	Strontium nitrate 	N2O6Sr	211.88125	NA	MeJP	NA	NA
+MJ008441	2,3,6-Trichlorohydroquinone 	C6H3Cl3O2	211.919862	NA	MeJP	NA	NA
+MetaCyc01954	2,3,6-trichlorohydroquinone []	C6H3O2CL3	211.919862	NA	metacyc	NA	NA
+C07099	2,3,6-Trichlorohydroquinone	C6H3Cl3O2	211.9199	NA	KEGG	NA	NA
+C12831	3,4,6-Trichlorocatechol	C6H3Cl3O2	211.9199	NA	KEGG	NA	NA
+C00324	Ferricyanide	C6FeN6	211.9534	NA	KEGG	NA	NA
+C01913	Ferrocyanide	C6FeN6	211.9534	NA	KEGG	NA	NA
+C01915	Galactolipid	C6H11O6R	211.9534	NA	KEGG	NA	NA
+MJ008442	Thiotropocin 	C8H4O3S2	211.960185	NA	MeJP	NA	NA
+MJ008443	Troposulfenin 	C8H4O3S2	211.960185	NA	MeJP	NA	NA
+C12105	Thiotropocin	C8H4O3S2	211.9602	NA	KEGG	NA	NA
+MJ008444	4-Amino-5-bromopyrrolo[2,3-d]pyrimidine 	C6H5BrN4	211.969758	NA	MeJP	NA	NA
+MetaCyc01955	thialysine [&gamma;-thialysine;S-2-aminoethyl cysteine;4-thialysine;]	C5H12N2O2SE1	212.006399	NA	metacyc	NA	NA
+C17947	2-Phosphinomethylmalate	C5H9O7P	212.0086	NA	KEGG	NA	NA
+CJneg0385	Ascorbic acid [(M+Cl)]-	C6H8ClO6	212.009325	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0385	Ascorbic acid [(M+Cl)]-	C6H8ClO6	212.009325	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C05690	Se-Methylselenomethionine	C6H14NO2Se	212.019	NA	KEGG	NA	NA
+MJ008445	4-Chloro-7-hydroxy-5-methoxy-2-methylbenzofuran 	C10H9ClO3	212.024021	NA	MeJP	NA	NA
+MJ008446	Clorindanic acid 	C10H9ClO3	212.024021	NA	MeJP	NA	NA
+MJ008447	1,2-Benzisoxazole-3-methanesulfonic acid; Amide 	C8H8N2O3S	212.025562	NA	MeJP	NA	NA
+C07504	Zonisamide	C8H8N2O3S	212.0256	NA	KEGG	NA	NA
+MJ008448	2-(3,4-Epoxy-1-butynyl)-5-(1,3-pentadiynyl)thiophene 	C13H8OS	212.029585	NA	MeJP	NA	NA
+MJ008449	5-[5-(3-Buten-1-ynyl)-2-thienyl]-2-penten-4-yn-1-ol, 1-Aldehyde 	C13H8OS	212.029585	NA	MeJP	NA	NA
+MJ008450	[4-[5-(1-Propynyl)-2-thienyl]-1,3-butadiynyl]oxirane 	C13H8OS	212.029585	NA	MeJP	NA	NA
+MJ008451	2-Formyl-3,5-dihydroxy-4-hydroxymethylbenzoic acid 	C9H8O6	212.032087	NA	MeJP	NA	NA
+MJ008452	4-Oxo-4H-pyran-2,6-dicarboxylic acid; Di-Me ester 	C9H8O6	212.032087	NA	MeJP	NA	NA
+MJ008453	3-(2-Carboxyethenyl)-cis,cis-muconate 	C9H8O6	212.032088	NA	MeJP	NA	NA
+MetaCyc01956	3-(2-carboxyethenyl)-cis,cis-muconate []	C9H8O6	212.032088	NA	metacyc	NA	NA
+C04366	3-(2-Carboxyethenyl)-cis,cis-muconate	C9H8O6	212.0321	NA	KEGG	NA	NA
+C12624	2-Hydroxy-6-ketononatrienedioate	C9H8O6	212.0321	NA	KEGG	NA	NA
+MJ008454	1-(Methylthio)propyl propyl disulfide; 2-Oxide 	C7H16OS3	212.036327	NA	MeJP	NA	NA
+MJ008455	Methyl 1-(propylthio)propyl disulfide; 5-Oxide 	C7H16OS3	212.036327	NA	MeJP	NA	NA
+MJ008456	1H-Naphtho[2,3-c]pyran-5,10-dione 	C13H8O3	212.047344	NA	MeJP	NA	NA
+MJ008457	2-Hydroxyxanthone 	C13H8O3	212.047344	NA	MeJP	NA	NA
+MJ008458	3-Hydroxy-6H-dibenzo[b,d]pyran-6-one 	C13H8O3	212.047344	NA	MeJP	NA	NA
+MJ008459	4-Hydroxyxanthone 	C13H8O3	212.047344	NA	MeJP	NA	NA
+MJ008460	Peniophorin B 	C13H8O3	212.047344	NA	MeJP	NA	NA
+CJneg0386	1-Methylxanthine [(M-H)+(HCOOH)]-	C7H7N4O4	212.055125	C18rt(min)=4.23 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0386	1-Methylxanthine [(M-H)+(HCOOH)]-	C7H7N4O4	212.055125	C18rt(min)=4.23 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008461	6-Azidotetrazolo[5,1-a]phthalazine 	C8H4N8	212.055892	NA	MeJP	NA	NA
+MJ008462	Isophenoxazine 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008463	1,6-Phenazinediol 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008464	1,8-Phenazinediol 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008465	1,9-Phenazinediol 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008466	1-Phenazinol; 10-Oxide 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008467	2,3-Phenazinediol 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008468	2-Amino-3H-phenoxazin-3-one 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MJ008469	Demethyloxyaaptamine 	C12H8N2O2	212.058577	NA	MeJP	NA	NA
+MetaCyc01957	isophenoxazine [2-amino-3H-phenoxazin-3-one;2-amino-phenoxazin-3-one;questiomycin A;2-aminophenoxazon;2-aminophenoxazone;2-amino-3-phenoxazone;]	C12H8N2O2	212.058578	NA	metacyc	NA	NA
+C02161	Isophenoxazine	C12H8N2O2	212.0586	NA	KEGG	NA	NA
+MJ008470	1,2,3,4-Tetrahydro-7-isoquinolinesulfonamide 	C9H12N2O2S	212.061948	NA	MeJP	NA	NA
+MJ008471	Cyclo(prolylthioprolyl) 	C9H12N2O2S	212.061948	NA	MeJP	NA	NA
+HMDB00913	Vanillactic acid	C10H12O5	212.06847	http://www.hmdb.ca/metabolites/HMDB00913	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00913	Vanillactic acid	C10H12O5	212.06847	http://www.hmdb.ca/metabolites/HMDB00913	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00913	Vanillactic acid	C10H12O5	212.06847	http://www.hmdb.ca/metabolites/HMDB00913	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00913	Vanillactic acid	C10H12O5	212.06847	http://www.hmdb.ca/metabolites/HMDB00913	HMDB	NA	NA
+HMDB00913	Vanillactic acid	C10H12O5	212.06847	HMDB00913	PFEM_hmdb_metabocards_official	NA	NA
+MJ008472	1-(3,4-Dihydroxyphenyl)-2,3-dihydroxy-1-propanone; 3'-Me ether 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008473	2,3',4',5'-Tetrahydroxyacetophenone; 3',5'-Di-Me ether 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008474	2,3,4,6-Tetrahydroxybenzaldehyde; 2,3,4-Tri-Me ether 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008475	2,3,4-Trihydroxybenzoic acid; 3,4-Di-Me ether, Me ester 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008476	2,5-Furandipropanoic acid 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008477	3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether, Me ester 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008478	3,4,5-Trihydroxybenzoic acid; 4-Me ether, Et ester 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008479	3,4,5-Trihydroxybenzoic acid; Propyl ester 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008480	3,4,5-Trihydroxybenzoic acid; Tri-Me ether 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008481	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, Me ester 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008482	Asperlin 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008483	Gelsemide 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008484	Gentiolactone 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008485	Humicolactone 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008486	Pyrenolide D 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MJ008487	Ramulosin; 4?-Hydroxy, 6,7-didehydro, 6?,7?-epoxide 	C10H12O5	212.068473	NA	MeJP	NA	NA
+MetaCyc01958	n-propyl-gallate [propyl 3,4,5-trihydroxybenzoate;gallic acid propyl ester;]	C10H12O5	212.068473	NA	metacyc	NA	NA
+HMDB00913	Vanillactic acid	C10H12O5	212.068481	NA	HMDB2010	NA	NA
+C10674	Danielone	C10H12O5	212.0685	NA	KEGG	NA	NA
+C11155	n-Propyl gallate	C10H12O5	212.0685	NA	KEGG	NA	NA
+MJ008488	N-[(3-Chlorophenyl)methyl]-N'-ethylurea 	C10H13ClN2O	212.07164	NA	MeJP	NA	NA
+7601	ACE inhibitor	GH	212.079	antioxidative	Inhouse_peptide	NA	peptide
+7614	ACE inhibitor	HG	212.079	antioxidative	Inhouse_peptide	NA	peptide
+C01408	Benzoin	C14H12O2	212.0837	NA	KEGG	NA	NA
+C01745	Pinosylvin	C14H12O2	212.0837	NA	KEGG	NA	NA
+C04468	(+)-cis-3,4-Dihydrophenanthrene-3,4-diol	C14H12O2	212.0837	NA	KEGG	NA	NA
+C11428	trans-9(S),10(S)-Dihydrodiolphenanthrene	C14H12O2	212.0837	NA	KEGG	NA	NA
+C14233	4,4'-Dihydroxystilbene	C14H12O2	212.0837	NA	KEGG	NA	NA
+C16203	Anthracene cis-1,2-dihydrodiol	C14H12O2	212.0837	NA	KEGG	NA	NA
+C16205	Anthracene-9,10-dihydrodiol	C14H12O2	212.0837	NA	KEGG	NA	NA
+MJ008489	Pinosylvin 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008490	1-Phenyl-2,4-hexadiyn-1-ol, Ac 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008491	2,4,6,12-Tetradecatetraene-8,10-diynoic acid 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008492	2-(2,4-Hexadiynylidene)-5-(propionylmethylidene)-2,5-dihydrofuran 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008493	2-(3-Phenyl-1-propynyl)furan; 2'-Methoxy 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008494	3,4'-Dihydroxystilbene 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008495	3,5-Dihydroxystilbene 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008496	4-Biphenylacetic acid 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008497	6H,12H-Dibenzo[b,f][1,5]dioxocin 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008498	Benzoic acid; Benzyl ester 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008499	Diphenylacetic acid 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MJ008500	Diphenylmethane-2-carboxylic acid 	C14H12O2	212.083729	NA	MeJP	NA	NA
+MetaCyc01959	benzoin [2-Hydroxy-1,2-diphenylethanone;]	C14H12O2	212.08373	119-53-9	metacyc	NA	NA
+MetaCyc01960	benzylbenzoate []	C14H12O2	212.08373	NA	metacyc	NA	NA
+MetaCyc01961	pinosylvin [3,5-stilbenediol;trans-3,5-dihydroxystilbene;]	C14H12O2	212.08373	102-61-4	metacyc	NA	NA
+MetaCyc01962	(+)-cis-3,4-dihydrophenanthrene-3,4-diol [cis-3,4-dihydroxy-3,4-dihydrophenanthrene;]	C14H12O2	212.08373	NA	metacyc	NA	NA
+MJ008501	Thiolactomycin ? 	C11H16O2S	212.0871	NA	MeJP	NA	NA
+C08255	Perseitol	C7H16O7	212.0896	NA	KEGG	NA	NA
+C08260	Volemitol	C7H16O7	212.0896	NA	KEGG	NA	NA
+MJ008502	D-glycero-D-galacto-Heptitol 	C7H16O7	212.089602	NA	MeJP	NA	NA
+MJ008503	D-glycero-D-gluco-Heptitol 	C7H16O7	212.089602	NA	MeJP	NA	NA
+MJ008504	D-glycero-D-manno-Heptitol 	C7H16O7	212.089602	NA	MeJP	NA	NA
+MJ008505	(1-Aziridinylmethyl)-3-(2-nitro-1H-imidazol-1-yl)-2-propanol 	C8H12N4O3	212.09094	NA	MeJP	NA	NA
+PJ000043	GH 	C8H12N4O3	212.091	NA	PeJP	NA	NA
+MJ008506	1-(1-Hydroxyethyl)-?-carboline 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008507	1-(2-Hydroxyethyl)-?-carboline 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008508	1-Ethyl-?-carboline; 2-N-Oxide 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008509	6-Hydroxy-1-methyl-?-carboline; Me ether 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008510	7-Methoxy-1-methyl-?-carboline 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008511	?-Carboline; 3,4-Dihydro, 9-Ac 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008512	Pimprinethine 	C13H12N2O	212.094963	NA	MeJP	NA	NA
+MJ008513	6-Methoxy-?-carboline; N2-Me 	C13H13N2O(+)	212.094963	NA	MeJP	NA	NA
+C01748	Pyocyanine	C13H12N2O	212.095	NA	KEGG	NA	NA
+C06538	Harmine	C13H12N2O	212.095	NA	KEGG	NA	NA
+MJ008514	Albutoin 	C10H16N2OS	212.098333	NA	MeJP	NA	NA
+3170	dipeptidyl peptidase IV inhibitor	PP	212.104	celiac toxic	Inhouse_peptide	NA	peptide
+7836	ACE inhibitor	PP	212.104	immunomodulating	Inhouse_peptide	NA	peptide
+MJ008515	1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 1,5'-Di-Me ether 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008516	1-(2,5-Dihydroxyphenyl)-3-methyl-2,3-butanediol 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008517	3-(3,5-Dihydroxyphenyl)-1,2-propanediol; 3',5'-Di-Me ether 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008518	5,6-Dihydro-4-methoxy-6-(1-oxopentyl)-2H-pyran-2-one 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008519	5-Propyl-1,2,3,4-benzenetetrol; 2,3-Di-Me ether 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008520	Depudecin 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008521	Dihydro-4-hydroxy-5-(1-hydroxy-4-methyl-2-pentenyl)-3-methoxy-2(3H)-furanone; 4-Deoxy, 3,4-didehydro 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008522	Dihydrocanadensolide 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008523	Eutypoxide B 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008524	Guaietolin 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008525	Methylenolactocin 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008526	Neopanepoxydol 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008527	Sinapyl alcohol, 2,3-Dihydro 	C11H16O4	212.104859	NA	MeJP	NA	NA
+MJ008528	Siphonostegiol 	C11H16O4	212.104859	NA	MeJP	NA	NA
+C14617	Chrysoidine free base	C12H12N4	212.1062	NA	KEGG	NA	NA
+MJ008529	Burimamide 	C9H16N4S	212.109567	NA	MeJP	NA	NA
+C07448	Burimamide	C9H16N4S	212.1096	NA	KEGG	NA	NA
+HMDB11180	L-prolyl-L-proline	C10H16N2O3	212.116089	NA	HMDB2010	NA	NA
+MJ008530	Butabarbital 	C10H16N2O3	212.116092	NA	MeJP	NA	NA
+MJ008531	Butobarbital 	C10H16N2O3	212.116092	NA	MeJP	NA	NA
+MJ008532	Loline; N-Ac, N-oxide 	C10H16N2O3	212.116092	NA	MeJP	NA	NA
+C07827	Butabarbital	C10H16N2O3	212.1161	NA	KEGG	NA	NA
+C07828	Transferred to D00699	C10H16N2O3	212.1161	NA	KEGG	NA	NA
+PJ000044	PP 	C10H16N2O3	212.1161	NA	PeJP	NA	NA
+C14258	p-Cumylphenol	C15H16O	212.1201	NA	KEGG	NA	NA
+C14666	1-(4-Methoxyphenyl)-2-phenylethane	C15H16O	212.1201	NA	KEGG	NA	NA
+MJ008533	1,3,5,7(11),9-Guaiapentaen-15-al 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008534	1,3-Diphenyl-1-propanol 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008535	1,8,10,14-Pentadecatetraene-4,6-diyn-3-ol 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008536	1,8,10-Pentadecatriene-4,6-diyn-3-one 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008537	1-[(3-Methyl-2-butenyl)oxy]naphthalene 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008538	14-Cadalenal 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008539	2,8,10-Pentadecatriene-4,6-diyn-1-al 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008540	3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-b]pyran 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008541	3-(2-Phenylethyl)phenol; Me ether 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008542	3-Methyl-8-phenyl-3,5,7-octatrien-2-one 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008543	4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde; 11,12-Dihydro 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008544	4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde; 15-Alcohol 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008545	5,7,13-Pentadecatriene-9,11-diyn-4-one 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008546	5,7,13-Pentadecatriene-9,11-diynal 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008547	Benzofuranoeremophil-1-ene 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008548	Chromolaenin 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008549	Demethylcacalohastine; Deoxy 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008550	Linderazulene; 2,3-Dihydro 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008551	Pallescensin E 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008552	Pyrocurzerenone 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008553	Spiniferin 1 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008554	Spiniferin 2 	C15H16O	212.120115	NA	MeJP	NA	NA
+MJ008555	Tavacpallescensin 	C15H16O	212.120115	NA	MeJP	NA	NA
+3260	beta-lactokinin	HIR	212.1215	MH2+	Inhouse_peptide	NA	peptide
+7999	synthetic peptide	LHR	212.1215	MH2+	Inhouse_peptide	NA	peptide
+8059	synthetic peptide	RHI	212.1215	MH2+	Inhouse_peptide	NA	peptide
+8061	synthetic peptide	RHL	212.1215	MH2+	Inhouse_peptide	NA	peptide
+2820	PEP inhibitor	LPPV	212.128	MH2+	Inhouse_peptide	NA	peptide
+C14443	3,3'-Dimethylbenzidine	C14H16N2	212.1313	NA	KEGG	NA	NA
+MJ008556	Atipamezole 	C14H16N2	212.131348	NA	MeJP	NA	NA
+MJ008557	Harmicine 	C14H16N2	212.131348	NA	MeJP	NA	NA
+MJ008558	Napactadine 	C14H16N2	212.131348	NA	MeJP	NA	NA
+MJ008559	Napamezole 	C14H16N2	212.131348	NA	MeJP	NA	NA
+C08482	Cucurbic acid	C12H20O3	212.1412	NA	KEGG	NA	NA
+C08509	Putaminoxin	C12H20O3	212.1412	NA	KEGG	NA	NA
+C16309	Traumatin	C12H20O3	212.1412	NA	KEGG	NA	NA
+C16311	12-Oxo-9(Z)-dodecenoic acid	C12H20O3	212.1412	NA	KEGG	NA	NA
+MJ008560	1,2-Epoxy-p-menthan-3-ol, Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008561	1-Hydroxy-p-menthan-3-one, Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008562	10-Hydroxy-11,12,13-trinor-2,6-farnesadien-1-oic acid 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008563	12-Oxo-10-dodecenoic acid 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008564	2,3-Bornanediol, 2-Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008565	3,4-Dihydroxy-11,12,13-trinor-8-eudesmanone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008566	3,7-Dimethyl-2,5-octadiene-1,7-diol, 1-Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008567	3,7-Dimethyl-2,6-octadien-1-ol, 6,7-Epoxide, Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008568	3-Oxo-2-pentylcyclopentaneacetic acid 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008569	4-(5-Hydroxyheptyl)-3-methyl-2(5H)-furanone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008570	4-(6-Hydroxyheptyl)-3-methyl-2(5H)-furanone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008571	5,6-Dihydro-6-(6-hydroxyheptyl)-2H-pyran-2-one 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008572	5,7-Dihydroxy-p-menth-1(6)-en-2-one, 7-Et ether 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008573	5-Hexyltetrahydrofuro[3,2-b]furan-2(3H)-one 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008574	5-Isopropyl-3-nonene-2,8-diol, 3,4-Epoxide, 2,8-diketone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008575	5-Methoxy-3,4-dimethyl-5-pentyl-2(5H)-furanone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008576	5-Methyl-2-(1-methylethenyl)-3-hexene-1,5-diol, 1-Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008577	Chokolic acid A; 14-Deoxy 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008578	Cucurbic acid 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008579	Gardenone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008580	Patulolide C 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008581	Putaminoxin 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008582	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008583	Tetrahydro-4-hydroxy-5-(1-methyl-2-propenyl)-3,3,5-trimethyl-2H-pyran-2-one 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008584	p-Menth-1(7)-ene-2,8-diol, 8-Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008585	p-Menth-2-ene-1,8-diol; 8-Ac 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MJ008586	?,5-Dimethyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane-7-methanol; Ketone 	C12H20O3	212.141244	NA	MeJP	NA	NA
+MetaCyc01963	12-oxo-c-9-dodecenoate []	C12H20O3	212.141245	NA	metacyc	NA	NA
+MetaCyc01964	12-oxo-trans-10-dodecenoate [traumatin;]	C12H20O3	212.141245	NA	metacyc	NA	NA
+MetaCyc01965	12-oxo-cis-9-dodecenoate []	C12H20O3	212.141245	NA	metacyc	NA	NA
+MJ008587	3-Isopropyl-6-(1-methylpropyl)-2,5-piperazinedione 	C11H20N2O2	212.152477	NA	MeJP	NA	NA
+MJ008588	Cyclo(leucylvalyl) 	C11H20N2O2	212.152477	NA	MeJP	NA	NA
+C16836	1,4'-Bipiperidine-1'-carboxylic acid	C11H20N2O2	212.1525	NA	KEGG	NA	NA
+C18206	cis-11-Methyl-2-dodecenoic acid	C13H24O2	212.1776	NA	KEGG	NA	NA
+MJ008589	12-Tridecanolide 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008590	2,7-Diethyl-1,6-dioxaspiro[4.6]undecane 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008591	2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008592	2-Butyl-7-methyl-1,6-dioxaspiro[4.5]decane 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008593	2-Dodecenoic acid, Me ester 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008594	2-Ethyl-7-propyl-1,6-dioxaspiro[4.5]decane 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008595	2-Methyl-8-propyl-1,7-dioxaspiro[5.5]undecane 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008596	3,7-Dimethyl-6-octen-1-ol, Propanoyl 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008597	3-Methyl-4-decen-1-ol, Ac 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008598	4,7-Megastigmadiene-3,9-diol, 7,8-Dihydro 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008599	5-Megastigmene-3,9-diol 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008600	7-Butyl-2-methyl-1,6-dioxaspiro[4.5]decane 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008601	7-Undecen-1-ol, Ac 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008602	8-Hydroxy-5-isopropyl-8-methyl-6-nonen-2-one 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008603	9-Dodecen-1-ol, Formyl 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008604	Oxacyclotetradecan-2-one 	C13H24O2	212.17763	NA	MeJP	NA	NA
+MJ008605	10-Methyl-2-tridecanone 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008606	10-Tetradecen-1-ol 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008607	11-Tetradecen-1-ol 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008608	12-Tetradecen-1-ol 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008609	2-Tetradecanone 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008610	3-Tetradecanone 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008611	7-Tetradecen-1-ol 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008612	9-Tetradecen-1-ol 	C14H28O	212.214015	NA	MeJP	NA	NA
+MJ008613	Tetradecanal 	C14H28O	212.214015	NA	MeJP	NA	NA
+C08388	Pentadecane	C15H32	212.2504	NA	KEGG	NA	NA
+MJ008614	Pentadecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008615	2,5-Dimethyltridecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008616	2,6,11-Trimethyldodecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008617	2,8-Dimethyltridecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008618	2-Methyltetradecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008619	3-Methyltetradecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008620	4,8-Dimethyltridecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008621	4-Methyltetradecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008622	5-Methyltetradecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008623	6-Methyltetradecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008624	7-Methyltetradecane 	C15H32	212.250401	NA	MeJP	NA	NA
+MJ008625	Farnesane 	C15H32	212.250401	NA	MeJP	NA	NA
+2870	opioid peptide	YPF	212.5915	MH2+	Inhouse_peptide	NA	peptide
+8063	synthetic peptide	RHN	212.60095	MH2+	Inhouse_peptide	NA	peptide
+7560	ACE inhibitor from soy hydrolysate	FFL	212.61	MH2+	Inhouse_peptide	NA	peptide
+3043	inhibitor of fibrinogen and thrombin coagulation	GPRP	212.613	MH2+	Inhouse_peptide	NA	peptide
+MJ008626	5,7-Dichloro-8-hydroxyquinoline 	C9H5Cl2NO	212.974819	NA	MeJP	NA	NA
+MJ008627	4-Bromoaniline; N-Ac 	C8H8BrNO	212.978926	NA	MeJP	NA	NA
+MetaCyc01966	3-hydroxy-4-phospho-hydroxy-&alpha;-ketobutyrate [2-Oxo-3-hydroxy-4-phosphobutanoate;]	C4H6O8P1	212.980029	NA	metacyc	NA	NA
+C05708	Selenomethionine Se-oxide	C5H11NO3Se	212.9904	NA	KEGG	NA	NA
+C05710	N-Hydroxy-amino acid	C2H4NO3R	212.9904	NA	KEGG	NA	NA
+MJ008628	Selenomethionine se-oxide 	C5H11NO3Se	212.990415	NA	MeJP	NA	NA
+MetaCyc01967	246-trinitrobenzene []	C6H3N3O6	213.002185	NA	metacyc	NA	NA
+C03082	4-Phospho-L-aspartate	C4H8NO7P	213.0038	NA	KEGG	NA	NA
+C03083	4-Substituted anilide	C7H5NOR2	213.0038	NA	KEGG	NA	NA
+C03084	4-Substituted aniline	C6H6NR	213.0038	NA	KEGG	NA	NA
+C03085	5'-Acylphosphoinosine	C11H12N4O9PR	213.0038	NA	KEGG	NA	NA
+C03086	5'-Acylphosphouridine	C11H12N4O10PR	213.0038	NA	KEGG	NA	NA
+C07335	2-Amino-3-oxo-4-phosphonooxybutyrate	C4H8NO7P	213.0038	NA	KEGG	NA	NA
+MJ008629	4-Phospho-L-aspartate 	C4H8NO7P	213.003838	NA	MeJP	NA	NA
+MetaCyc01968	2-amino-3-oxo-4-phosphonooxybutyrate [L-2-amino-3-oxo-4-phosphonooxybutyrate;]	C4H8N1O7P1	213.003838	NA	metacyc	NA	NA
+MetaCyc01969	L-aspartyl-4-phosphate [4-phospho-L-aspartate;L-4-aspartyl phosphate;L-&beta;-aspartyl-P;L-&beta;-aspartyl-phosphate;L-aspartyl-4-P;L-aspartyl-&beta;-phosphate;]	C4H8N1O7P1	213.003838	22138-53-0	metacyc	NA	NA
+HMDB12250	L-Aspartyl-4-phosphate	C4H8NO7P	213.003845	NA	HMDB2010	NA	NA
+MJ008630	Carmustine 	C5H9Cl2N3O2	213.007181	NA	MeJP	NA	NA
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	http://www.hmdb.ca/metabolites/HMDB00682	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	http://www.hmdb.ca/metabolites/HMDB00682	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	http://www.hmdb.ca/metabolites/HMDB00682	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	http://www.hmdb.ca/metabolites/HMDB00682	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	http://www.hmdb.ca/metabolites/HMDB00682	HMDB	NA	NA
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	http://www.hmdb.ca/metabolites/HMDB00682	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.00958	HMDB00682	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00682	Indoxyl sulfate	C8H7NO4S	213.009583	NA	HMDB2010	NA	NA
+HMDB01309	m-Chlorohippuric acid	C9H8ClNO3	213.01927	http://www.hmdb.ca/metabolites/HMDB01309	HMDB	NA	NA
+HMDB01309	m-Chlorohippuric acid	C9H8ClNO3	213.01927	HMDB01309	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc01970	m-chlorohippurate [m-chlorohippuric acid;]	C9H8N1O3CL1	213.019271	NA	metacyc	NA	NA
+HMDB01309	m-Chlorohippuric acid	C9H8ClNO3	213.019272	NA	HMDB2010	NA	NA
+MJ008631	Se-Methylselenomethionine 	C6H15NO2Se	213.0268	NA	MeJP	NA	NA
+MJ008632	4,5-Dihydroxy-2-nitrobenzoic acid; 5-Me ether 	C8H7NO6	213.027336	NA	MeJP	NA	NA
+C16392	4-Hydroxylamino-2,6-dinitrotoluene	C7H7N3O5	213.0386	NA	KEGG	NA	NA
+C16393	2-Hydroxylamino-4,6-dinitrotoluene	C7H7N3O5	213.0386	NA	KEGG	NA	NA
+CJpos0560	Citrulline isomers [(M+K)]+	C6H13KN3O3	213.051075	C18rt(min)=0.9 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0560	Citrulline isomers [(M+K)]+	C6H13KN3O3	213.051075	C18rt(min)=0.9 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH087	Citrulline (L-) [M+K]+	NA	213.0516	1.22	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH087	Citrulline (L-) [M+K]+	NA	213.0516	1.22	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH087	Citrulline (L-) [M+K]+	NA	213.0516	1.22	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH087	Citrulline (L-) [M+K]+	NA	213.0516	1.22	Inhousejuil11	NA	NA
+C01800	Deazaflavin	C11H7N3O2	213.0538	NA	KEGG	NA	NA
+MJ008633	Imidazo[1,2-a]quinoxaline-2-carboxylic acid 	C11H7N3O2	213.053826	NA	MeJP	NA	NA
+MJ008634	Zyzzin; 5-Oxo analogue 	C11H7N3O2	213.053826	NA	MeJP	NA	NA
+MJ008635	?-Baclofen 	C10H12ClNO2	213.055656	NA	MeJP	NA	NA
+MJ008636	Baclofen 	C10H12ClNO2	213.055656	NA	MeJP	NA	NA
+C14506	Chlorpropham	C10H12ClNO2	213.0557	NA	KEGG	NA	NA
+C15503	N,N-Dihydroxy-L-tyrosine	C9H11NO5	213.0637	NA	KEGG	NA	NA
+MJ008637	2-Amino-3-(2,4,5-trihydroxyphenyl)propanoic acid 	C9H11NO5	213.063722	NA	MeJP	NA	NA
+MJ008638	2-Amino-3-(3,4,5-trihydroxyphenyl)propanoic acid 	C9H11NO5	213.063722	NA	MeJP	NA	NA
+MJ008639	Droxidopa 	C9H11NO5	213.063722	NA	MeJP	NA	NA
+MJ008640	Speranskatine A, N-De-Me 	C9H11NO5	213.063722	NA	MeJP	NA	NA
+MetaCyc01971	N,N-dihydroxy-L-tyrosine []	C9H11N1O5	213.063722	NA	metacyc	NA	NA
+MJ008641	Tolfamide 	C8H12N3O2P	213.066713	NA	MeJP	NA	NA
+MJ008642	2-Amino-6-diazo-5-oxohexanoic acid, N-Ac 	C8H11N3O4	213.074955	NA	MeJP	NA	NA
+MJ008643	Troxacitabine 	C8H11N3O4	213.074955	NA	MeJP	NA	NA
+MJ008644	2-Hydroxybenzamide; N-Ph 	C13H11NO2	213.078978	NA	MeJP	NA	NA
+MJ008645	4-Methoxyfuro[2,3-b]quinoline; O-De-Me, O-Et 	C13H11NO2	213.078978	NA	MeJP	NA	NA
+MJ008646	Balazipone 	C13H11NO2	213.078978	NA	MeJP	NA	NA
+C12865	Benzyl nicotinate	C13H11NO2	213.079	NA	KEGG	NA	NA
+C12866	Transferred to D01420	C13H11NO2	213.079	NA	KEGG	NA	NA
+C12867	Transferred to D01421	C13H11NO2	213.079	NA	KEGG	NA	NA
+C12868	Transferred to D01422	C13H11NO2	213.079	NA	KEGG	NA	NA
+C13697	Fenamic acid	C13H11NO2	213.079	NA	KEGG	NA	NA
+C03169	Pyrimidine nucleoside	C9H13N2O4	213.0875	NA	KEGG	NA	NA
+MJ008647	6-Methyl-2-(phenylazo)-3-pyridinol 	C12H11N3O	213.090211	NA	MeJP	NA	NA
+C07433	Phenmetrazine hydrochloride	C11H15NO	213.092	NA	KEGG	NA	NA
+MJ008648	Clorprenaline 	C11H16ClNO	213.092041	NA	MeJP	NA	NA
+8055	synthetic peptide	RHD	213.09295	MH2+	Inhouse_peptide	NA	peptide
+2938	myelopeptide	VDPP	213.09945	MH2+	Inhouse_peptide	NA	peptide
+C11839	N-(3-Oxohexanoyl)homoserine lactone	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12819	Kainic acid	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12820	Transferred to D01382	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12821	Transferred to D01383	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12822	Transferred to D01384	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12823	Transferred to D01385	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12824	Transferred to D01386	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12825	Transferred to D01387	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12826	Transferred to D01388	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12827	Transferred to D01389	C10H15NO4	213.1001	NA	KEGG	NA	NA
+C12828	Transferred to D01390	C10H15NO4	213.1001	NA	KEGG	NA	NA
+MJ008649	3,3'-[Iminobis(methylene)]bis-2(3H)furanone 	C10H15NO4	213.100107	NA	MeJP	NA	NA
+MJ008650	3-Aminodihydro-2(3H)-furanone, N-(3-Oxohexanoyl) 	C10H15NO4	213.100107	NA	MeJP	NA	NA
+MJ008651	4-Ethoxyhexahydro-3a-hydroxy-1H-indole-2,6-dione 	C10H15NO4	213.100107	NA	MeJP	NA	NA
+MJ008652	Fulvanine A; 6'-Deoxy, 5-Me ether 	C10H15NO4	213.100107	NA	MeJP	NA	NA
+MJ008653	Kainic acid 	C10H15NO4	213.100107	NA	MeJP	NA	NA
+C07429	Phenazopyridine	C11H11N5	213.1014	NA	KEGG	NA	NA
+MJ008654	2,6-Diamino-3-phenylazopyridine 	C11H11N5	213.101445	NA	MeJP	NA	NA
+C14457	Simetryn	C8H15N5S	213.1048	NA	KEGG	NA	NA
+MJ008655	2-Decene-4,6,8-triynoic acid, 2-Methylpropylamide 	C14H15NO	213.115364	NA	MeJP	NA	NA
+MJ008656	Oxdralazine 	C8H15N5O2	213.122574	NA	MeJP	NA	NA
+MJ008657	2-(1-Piperazinyl)quinoline 	C13H15N3	213.126597	NA	MeJP	NA	NA
+MJ008658	Hexahydro-7a-hydroxy-3H-pyrrolizin-3-one, (1-Ethoxyethyl) ether 	C11H19NO3	213.136493	NA	MeJP	NA	NA
+MJ008659	Trichoponamic acid 	C11H19NO3	213.136493	NA	MeJP	NA	NA
+C11844	N-Heptanoylhomoserine lactone	C11H19NO3	213.1365	NA	KEGG	NA	NA
+C07035	Guanadrel	C10H19N3O2	213.1477	NA	KEGG	NA	NA
+MJ008660	Complanatin 	C10H19N3O2	213.147726	NA	MeJP	NA	NA
+MJ008661	Guanadrel 	C10H19N3O2	213.147726	NA	MeJP	NA	NA
+MJ008662	Herbindole A 	C15H19N	213.151749	NA	MeJP	NA	NA
+MJ008663	1-Amino-3-tridecen-2-ol 	C13H27NO	213.209264	NA	MeJP	NA	NA
+MJ008664	1-Amino-4-tridecen-2-ol 	C13H27NO	213.209264	NA	MeJP	NA	NA
+MJ008665	1-Amino-5-tridecen-2-ol 	C13H27NO	213.209264	NA	MeJP	NA	NA
+MJ008666	12-Methyl-1-tridecylamine 	C14H31N	213.245649	NA	MeJP	NA	NA
+HMDB03171	Tetradecylamine	C14H31N	213.24565	http://www.hmdb.ca/metabolites/HMDB03171	HMDB	NA	NA
+HMDB03171	Tetradecylamine	C14H31N	213.24565	HMDB03171	PFEM_hmdb_metabocards_official	NA	NA
+3762	NA	VGVPG	213.615	MH2+	Inhouse_peptide	NA	peptide
+3595	NA	KAIP	213.6335	MH2+	Inhouse_peptide	NA	peptide
+HMDB00848	Stearoylcarnitine	C25H49NO4	213.683075	MH2+	Inhouse_peptide	NA	peptide
+MJ008667	1,1-Dibromo-2-propanone 	C3H4Br2O	213.86289	NA	MeJP	NA	NA
+MJ008668	1,3-Dibromo-2-propanone 	C3H4Br2O	213.86289	NA	MeJP	NA	NA
+MetaCyc01972	1,3-dibromopropan-2-one []	C3H4O1BR2	213.86289	NA	metacyc	NA	NA
+MJ008669	1,2,3,4-Tetrachlorobenzene 	C6H2Cl4	213.89106	NA	MeJP	NA	NA
+MJ008670	Thioperoxydicarbonic acid; Di-Me ester 	C4H6O2S4	213.925062	NA	MeJP	NA	NA
+C12832	3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene	C6H5Cl3O2	213.9355	NA	KEGG	NA	NA
+C03076	4-Bromophenylacetate	C8H7BrO2	213.9629	NA	KEGG	NA	NA
+MJ008671	1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Ac 	C7H6N2O2S2	213.987068	NA	MeJP	NA	NA
+MJ008672	Orosomycin 	C7H6N2O2S2	213.987068	NA	MeJP	NA	NA
+C14181	2-Benzothiazolesulfonamide	C7H6N2O2S2	213.9871	NA	KEGG	NA	NA
+HMDB06801	2-Oxo-3-hydroxy-4-phosphobutanoate	C4H7O8P	213.98785	http://www.hmdb.ca/metabolites/HMDB06801	HMDB	NA	NA
+HMDB06801	2-Oxo-3-hydroxy-4-phosphobutanoate	C4H7O8P	213.98785	HMDB06801	PFEM_hmdb_metabocards_official	NA	NA
+MJ008673	2-Oxo-3-hydroxy-4-phosphobutanoate 	C4H7O8P	213.987853	NA	MeJP	NA	NA
+HMDB06801	2-Oxo-3-hydroxy-4-phosphobutanoic acid	C4H7O8P	213.987854	NA	HMDB2010	NA	NA
+MetaCyc01973	(S)-phosphomalate []	C4H7O8P1	213.987854	NA	metacyc	NA	NA
+MetaCyc01974	(R)-phosphomalate []	C4H7O8P1	213.987854	NA	metacyc	NA	NA
+C06054	2-Oxo-3-hydroxy-4-phosphobutanoate	C4H7O8P	213.9879	NA	KEGG	NA	NA
+CJpos0561	Citric acid [M+Na]+	C6H8O7Na	214.008375	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0561	Citric acid [M+Na]+	C6H8O7Na	214.008375	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH122	Citric acid [M+Na]+	NA	214.0097	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH122	Citric acid [M+Na]+	NA	214.0097	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH122	Citric acid [M+Na]+	NA	214.0097	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH122	Citric acid [M+Na]+	NA	214.0097	2.57	Inhousejuil11	NA	NA
+MetaCyc01975	phospho-hydroxy-threonine [O-Phospho-4-hydroxy-L-threonine;4-phospho-hydroxy-L-threonine;4-phospho-hydroxy-threonine;]	C4H9N1O7P1	214.011663	NA	metacyc	NA	NA
+MJ008674	Niridazole 	C6H6N4O3S	214.01606	NA	MeJP	NA	NA
+MetaCyc01976	selenalysine []	C5H14N2O2SE1	214.02205	NA	metacyc	NA	NA
+MJ008675	3,5-Dinitro-1,2-benzenediol; 1-Me ether 	C7H6N2O6	214.022585	NA	MeJP	NA	NA
+C17101	3,5-Dinitroguaiacol	C7H6N2O6	214.0226	NA	KEGG	NA	NA
+MJ008676	Antibiotic WS 1921 	C8H10N2OS2	214.023454	NA	MeJP	NA	NA
+C00672	2-Deoxy-D-ribose 1-phosphate	C5H11O7P	214.0242	NA	KEGG	NA	NA
+C00673	2-Deoxy-D-ribose 5-phosphate	C5H11O7P	214.0242	NA	KEGG	NA	NA
+C11437	1-Deoxy-D-xylulose 5-phosphate	C5H11O7P	214.0242	NA	KEGG	NA	NA
+C16637	5-Deoxyribose-1-phosphate	C5H11O7P	214.0242	NA	KEGG	NA	NA
+C16638	O-Phosphoseryl-tRNA(Sec)	C13H23NO15P2R2	214.0242	NA	KEGG	NA	NA
+MJ008677	2-Deoxy-D-ribose 1-phosphate 	C5H11O7P	214.024239	NA	MeJP	NA	NA
+MJ008678	2-Deoxy-D-ribose 5-phosphate 	C5H11O7P	214.024239	NA	MeJP	NA	NA
+MJ008679	2-Deoxy-erythro-pentose, 5-Phosphate 	C5H11O7P	214.024239	NA	MeJP	NA	NA
+MJ008680	3,4,5-Trihydroxy-2-pentanone, 5-Phosphate 	C5H11O7P	214.024239	NA	MeJP	NA	NA
+MetaCyc01977	deoxy-D-ribose 1-phosphate [2-deoxy-&alpha;-D-ribose 1-phosphate;]	C5H11O7P1	214.024239	NA	metacyc	NA	NA
+MetaCyc01978	deoxyribose-1-phosphate [2-deoxy-D-ribose-1-phosphate;2-deoxy-&alpha;-D-ribose 1-phosphate;]	C5H11O7P1	214.024239	17210-42-3	metacyc	NA	NA
+MetaCyc01979	1-deoxy-D-xylulose 5-phosphate [DXP;deoxyxylulose-5-phosphate;D-1-deoxyxylulose-5-P;1-deoxy-D-threo-pentulose 5-phosphate;DOXP;]	C5H11O7P1	214.024239	NA	metacyc	NA	NA
+MetaCyc01980	deoxyribose-5-phosphate [2-deoxy-D-ribose-5-phosphate;deoxyribose-5-P;2-deoxyribose-5-P;2-deoxyribose-5-phosphate;2-deoxy-&alpha;-D-ribose 5-phosphate;]	C5H11O7P1	214.024239	102916-66-5	metacyc	NA	NA
+HMDB01031	Deoxyribose 5-phosphate	C5H11O7P	214.024246	NA	HMDB2010	NA	NA
+HMDB01213	1-Deoxy-D-xylulose 5-phosphate	C5H11O7P	214.024246	NA	HMDB2010	NA	NA
+HMDB01351	Deoxyribose 1-phosphate	C5H11O7P	214.024246	NA	HMDB2010	NA	NA
+HMDB01031	Deoxyribose 5-phosphate	C5H11O7P	214.02425	http://www.hmdb.ca/metabolites/HMDB01031	HMDB	NA	NA
+HMDB01213	1-Deoxy-D-xylulose 5-phosphate	C5H11O7P	214.02425	http://www.hmdb.ca/metabolites/HMDB01213	HMDB	NA	NA
+HMDB01351	Deoxyribose 1-phosphate	C5H11O7P	214.02425	http://www.hmdb.ca/metabolites/HMDB01351	HMDB	NA	NA
+HMDB01031	Deoxyribose 5-phosphate	C5H11O7P	214.02425	HMDB01031	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01213	1-Deoxy-D-xylulose 5-phosphate	C5H11O7P	214.02425	HMDB01213	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01351	Deoxyribose 1-phosphate	C5H11O7P	214.02425	HMDB01351	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0387	Deoxyribose phosphate (and isomers) [(M-H)]-	C5H10O7P	214.024825	C18rt(min)=0.9 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0387	Deoxyribose phosphate (and isomers) [(M-H)]-	C5H10O7P	214.024825	C18rt(min)=0.9 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03861	Dibenzo[1,4]dioxin-2,3-dione	C12H6O4	214.0266	NA	KEGG	NA	NA
+C03862	Dolichyl phosphate D-mannose	C26H47O9P	214.0266	NA	KEGG	NA	NA
+MJ008681	5-Hydroxynaphtho[2,3-b]furan-4,9-dione 	C12H6O4	214.026608	NA	MeJP	NA	NA
+MJ008682	Naphtho[1,2-b]furan-4,5-dione; 3-Hydroxy 	C12H6O4	214.026608	NA	MeJP	NA	NA
+MetaCyc01981	dibenzo[1,4]dioxin-2,3-dione []	C12H6O4	214.026609	NA	metacyc	NA	NA
+MJ008683	2-Bromo-7-methyl-3-methylene-1,6-octadiene 	C10H15Br	214.035713	NA	MeJP	NA	NA
+MJ008684	3-(Bromomethylene)-7-methyl-1,6-octadiene 	C10H15Br	214.035713	NA	MeJP	NA	NA
+MJ008685	?-Carboline-1,3,4-trione 	C11H6N2O3	214.037842	NA	MeJP	NA	NA
+MJ008686	1-(3-Chloro-4-methoxyphenyl)-3-hydroxy-1-propanone 	C10H11ClO3	214.039671	NA	MeJP	NA	NA
+MJ008687	Clofibric acid 	C10H11ClO3	214.039671	NA	MeJP	NA	NA
+C13700	Clofibric acid	C10H11ClO3	214.0397	NA	KEGG	NA	NA
+MJ008688	4-Aminobenzenesulfonic acid; Amide, Namide-Ac 	C8H10N2O3S	214.041212	NA	MeJP	NA	NA
+MJ008689	7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 	C8H10N2O3S	214.041212	NA	MeJP	NA	NA
+MJ008690	2-(3,5-Hexadien-1-ynyl)-5-(1-propynyl)thiophene, 5',6'-Epoxide 	C13H10OS	214.045235	NA	MeJP	NA	NA
+MJ008691	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol 	C13H10OS	214.045235	NA	MeJP	NA	NA
+MJ008692	5-[5-(3-Buten-1-ynyl)-2-thienyl]-2-penten-4-yn-1-ol 	C13H10OS	214.045235	NA	MeJP	NA	NA
+MJ008693	6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyn-1-ol 	C13H10OS	214.045235	NA	MeJP	NA	NA
+C04479	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate	C9H10O6	214.0477	NA	KEGG	NA	NA
+MJ008694	Biglandulinic acid 	C9H10O6	214.047738	NA	MeJP	NA	NA
+MJ008695	Carolinic acid 	C9H10O6	214.047738	NA	MeJP	NA	NA
+MJ008696	2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate 	C9H10O6	214.047738	NA	MeJP	NA	NA
+MetaCyc01982	2-hydroxy-6-oxonona-2,4-diene-1,9-dioate [2-hydroxy-6-oxo-nona-2,4-diene 1,9-dicarboxylate;2-hydroxy-6-ketononadienedioic acid;2-hydroxy-6-ketononadienedicarboxylate;]	C9H10O6	214.047738	53-42-9	metacyc	NA	NA
+MJ008697	Alloxazine 	C10H6N4O2	214.049075	NA	MeJP	NA	NA
+MJ008698	Antibiotic TAN 1307 	C9H11ClN2O2	214.050905	NA	MeJP	NA	NA
+MJ008699	Sulfaguanidine 	C7H10N4O2S	214.052446	NA	MeJP	NA	NA
+MJ008700	Amifostine 	C5H15N2O3PS	214.054099	NA	MeJP	NA	NA
+C06819	Amifostine	C5H15N2O3PS	214.0541	NA	KEGG	NA	NA
+MJ008701	3-(2-Thiazolyl)-1H-indole; N1-Me 	C12H10N2S	214.056469	NA	MeJP	NA	NA
+MJ008702	Gostatin 	C8H10N2O5	214.058971	NA	MeJP	NA	NA
+C13673	(S)-ACPA	C8H10N2O5	214.059	NA	KEGG	NA	NA
+MJ008703	11-Tridecene-3,5,7,9-tetrayne-1,2,13-triol 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008704	2,4-Dihydroxybenzophenone 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008705	2-(2,4,6-Octatriynylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008706	4'-Hydroxy-2-biphenylcarboxylic acid 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008707	4-Formyl-1-azulenecarboxylic acid; Me ester 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008708	4-Hydroxymethyl-1-azulenecarboxylic acid; 14-Aldehyde, Me ester 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008709	5-Ethylfuro[2,3-b][1]benzopyran-4-one 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008710	5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008711	6-[2-(4-Hydroxyphenyl)ethenyl]-2H-pyran-2-one 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008712	Anhydrobarakol 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008713	Giparmen 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008714	Mycosinol 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008715	Phenyl 2-hydroxybenzoate 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MJ008716	3,4-Dihydroxy-3,4-dihydro-9-fluorenone 	C13H10O3	214.062994	NA	MeJP	NA	NA
+MetaCyc01983	3,4-dihydroxy-3,4-dihydro-9-fluorenone []	C13H10O3	214.062994	NA	metacyc	NA	NA
+MetaCyc01984	1,10-dihydro-1,10-dihydroxyfluoren-9-one [DDF;]	C13H10O3	214.062994	NA	metacyc	NA	NA
+C07722	3,4-Dihydroxy-3,4-dihydro-9-fluorenone	C13H10O3	214.063	NA	KEGG	NA	NA
+C08455	Mycosinol	C13H10O3	214.063	NA	KEGG	NA	NA
+C14163	Phenyl salicylate	C13H10O3	214.063	NA	KEGG	NA	NA
+C14215	2,4-Dihydroxybenzophenone	C13H10O3	214.063	NA	KEGG	NA	NA
+C14220	4,4'-Dihydroxybenzophenone	C13H10O3	214.063	NA	KEGG	NA	NA
+C14284	2,2'-Dihydroxybenzophenone	C13H10O3	214.063	NA	KEGG	NA	NA
+C14507	Diphenyl carbonate	C13H10O3	214.063	NA	KEGG	NA	NA
+C16262	1-Hydro-1,1a-dihydroxy-9-fluorenone	C13H10O3	214.063	NA	KEGG	NA	NA
+MJ008717	Tolmesoxide 	C10H14O3S	214.066365	NA	MeJP	NA	NA
+MJ008718	Etanidazole 	C7H10N4O4	214.070204	NA	MeJP	NA	NA
+MJ008719	Metronidazole; Carbamoyl 	C7H10N4O4	214.070204	NA	MeJP	NA	NA
+MJ008720	3-(1H-Indol-3-yl)-2-propenoic acid, Amide, Nb-formyl 	C12H10N2O2	214.074227	NA	MeJP	NA	NA
+MJ008721	Aaptamine; O9-De-Me 	C12H10N2O2	214.074227	NA	MeJP	NA	NA
+MJ008722	Caerulomycin E 	C12H10N2O2	214.074227	NA	MeJP	NA	NA
+MJ008723	2-(3-Chlorophenyl)-3-methyl-2,3-butanediol 	C11H15ClO2	214.076057	NA	MeJP	NA	NA
+MJ008724	2-(4-Chlorophenyl)-3-methyl-2,3-butanediol 	C11H15ClO2	214.076057	NA	MeJP	NA	NA
+HMDB04822	Methyl bisnorbiotinyl ketone	C9H14N2O2S	214.077606	NA	HMDB2010	NA	NA
+HMDB04822	Methyl bisnorbiotinyl ketone	C9H14N2O2S	214.07761	http://www.hmdb.ca/metabolites/HMDB04822	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04822	Methyl bisnorbiotinyl ketone	C9H14N2O2S	214.07761	http://www.hmdb.ca/metabolites/HMDB04822	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04822	Methyl bisnorbiotinyl ketone	C9H14N2O2S	214.07761	http://www.hmdb.ca/metabolites/HMDB04822	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04822	Methyl bisnorbiotinyl ketone	C9H14N2O2S	214.07761	http://www.hmdb.ca/metabolites/HMDB04822	HMDB	NA	NA
+HMDB04822	Methyl bisnorbiotinyl ketone	C9H14N2O2S	214.07761	HMDB04822	PFEM_hmdb_metabocards_official	NA	NA
+MJ008725	7-(Methylthio)-1,3,5,7-tridecatetraene-9,11-diyne 	C14H14S	214.081621	NA	MeJP	NA	NA
+MJ008726	3-(5-Hydroxymethyl-5-methyl-2-oxo-5H-furan-3-yl)-2-methylpropanoic acid 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008727	Acetomycin 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008728	Borreriagenin 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008729	Decarestrictine B 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008730	Guaiacylglycerol 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008731	Macedonine 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008732	Paeoniflorigenone; Debenzoyl 	C10H14O5	214.084123	NA	MeJP	NA	NA
+MJ008733	Seneciphyllic acid 	C10H14O5	214.084123	NA	MeJP	NA	NA
+C11802	Oxaburimamide	C8H14N4OS	214.0888	NA	KEGG	NA	NA
+C14332	Metribuzin	C8H14N4OS	214.0888	NA	KEGG	NA	NA
+HMDB00851	Pyridinoline	C18H28N4O8	214.095352	MH2+	Inhouse_peptide	NA	peptide
+MJ008734	Cyclo(aspartylleucyl) 	C9H14N2O4	214.095356	NA	MeJP	NA	NA
+MJ008735	Pedatisectine E 	C9H14N2O4	214.095356	NA	MeJP	NA	NA
+MJ008736	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole 	C10H10N6	214.096694	NA	MeJP	NA	NA
+MJ008737	Pseudozoanthoxin A 	C10H10N6	214.096694	NA	MeJP	NA	NA
+MJ008738	1,2-Bis(3-hydroxyphenyl)ethane 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008739	1-(3,5-Dihydroxyphenyl)-2-phenylethane 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008740	1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008741	2,4,6,8,10,12-Tetradecahexaenedial 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008742	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008743	3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-Me ether 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008744	3,5-Biphenyldiol; Di-Me ether 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008745	4,6-Tetradecadiene-8,10,12-triyn-1-ol, 4,5-Epoxide 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008746	4,6-Tetradecadiene-8,10,12-triyne-1,3-diol 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008747	7-Phenyl-2,4,6-heptatrienoic acid, Me ester 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008748	Boropinal A 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008749	Ichthyothereol 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008750	Platyphyllide 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008751	Seselin; 2-Deoxo 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008752	Spiro[cyclohexane-1,2'(2H)-indan]-1',4(3'H)-dione 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008753	Tetradehydrochromoarnottione 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MJ008754	Xanthorrhoein 	C14H14O2	214.099379	NA	MeJP	NA	NA
+MetaCyc01985	dihydropinosylvin []	C14H14O2	214.09938	NA	metacyc	NA	NA
+HMDB12111	(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol	C14H14O2	214.09938	NA	HMDB2010	NA	NA
+C10254	Dihydropinosylvin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C10269	Lunularin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C11834	4-Benzyloxybenzyl alcohol	C14H14O2	214.0994	NA	KEGG	NA	NA
+C13687	Cunaniol	C14H14O2	214.0994	NA	KEGG	NA	NA
+C14341	4,4'-Dihydroxybibenzyl	C14H14O2	214.0994	NA	KEGG	NA	NA
+C14349	1,1-Bis(4-hydroxyphenyl)ethane	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16015	(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16016	Urotensin II	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16017	alpha-Endorphin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16018	gamma-Endorphin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16019	beta-Lipotropin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16020	gamma-Lipotropin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16021	Somatostatin-28	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16022	Somatostatin-14	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16023	Cortistatin-29	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16024	Cortistatin-17	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16025	Ghrelin	C14H14O2	214.0994	NA	KEGG	NA	NA
+C16027	Cocaine- and Amphetamine- regulated transcript (1-39)	C14H14O2	214.0994	NA	KEGG	NA	NA
+8182	ACE Inhibitor	ALEP	214.1075	MH2+	Inhouse_peptide	NA	peptide
+C06536	Harmaline	C13H14N2O	214.1106	NA	KEGG	NA	NA
+HMDB03188	Harmaline	C13H14N2O	214.11061	http://www.hmdb.ca/metabolites/HMDB03188	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03188	Harmaline	C13H14N2O	214.11061	http://www.hmdb.ca/metabolites/HMDB03188	HMDB	NA	NA
+HMDB03188	Harmaline	C13H14N2O	214.11061	http://www.hmdb.ca/metabolites/HMDB03188	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03188	Harmaline	C13H14N2O	214.11061	HMDB03188	PFEM_hmdb_metabocards_official	NA	NA
+MJ008755	3,4-Dihydro-1-methyl-?-carboline; 6-Methoxy 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+MJ008756	5,6-Dihydro-3-phenyl-4H-pyrrolo[1,2-b]pyrazole; 4'-Methoxy 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+MJ008757	Fenyramidol 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+MJ008758	Harmalol; Me ether 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+MJ008759	Radolmidine 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+MJ008760	Rofelodine 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+MJ008761	Velnacrine 	C13H14N2O	214.110613	NA	MeJP	NA	NA
+C01223	Methyl 2-diazoacetamidohexonate	C9H16N3O3	214.1192	NA	KEGG	NA	NA
+C01224	N-Acetyl-beta-D-galactosaminide	C8H14NO6R	214.1192	NA	KEGG	NA	NA
+C04130	Methyl 2-diazoacetamidohexanoate	C9H16N3O3	214.1192	NA	KEGG	NA	NA
+C04131	Monoamide of a dicarboxylic acid	C2H3NO3	214.1192	NA	KEGG	NA	NA
+3181	dipeptidyl-aminopeptidase IV inhibitor	VP	214.12	celiac toxic	Inhouse_peptide	NA	peptide
+7587	ACE inhibitor	VP	214.12	antioxidative	Inhouse_peptide	NA	peptide
+MJ008762	2-Hexyl-3-methylenebutanedioic acid 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008763	2-Hexylidene-3-methylbutanedioic acid 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008764	3-Isopropyl-1-methyl-1,2-cyclopentanedicarboxylic acid 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008765	6,7-Dihydroxy-2,6-dimethyl-2,4-octadienoic acid, Me ester 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008766	Agistatin B 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008767	Citreoviral 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008768	Mussaenin C 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008769	Pestalotin 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008770	Phaseolinic acid 	C11H18O4	214.120509	NA	MeJP	NA	NA
+MJ008771	Tetradenolide 	C11H18O4	214.120509	NA	MeJP	NA	NA
+CJpos0562	 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+	C10H19N2O3	214.131175	C18rt(min)=1.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0563	 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+	C10H19N2O3	214.131175	C18rt(min)=1.65 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0562	 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+	C10H19N2O3	214.131175	C18rt(min)=1.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0563	 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)]+	C10H19N2O3	214.131175	C18rt(min)=1.65 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C01909	Dethiobiotin	C10H18N2O3	214.1317	NA	KEGG	NA	NA
+C01910	Dinucleotide	C10H18O13P2R2	214.1317	NA	KEGG	NA	NA
+HMDB03581	Dethiobiotin	C10H18N2O3	214.13174	http://www.hmdb.ca/metabolites/HMDB03581	HMDB	NA	NA
+HMDB03581	Dethiobiotin	C10H18N2O3	214.13174	HMDB03581	PFEM_hmdb_metabocards_official	NA	NA
+MJ008772	5-Methyl-2-oxo-4-imidazolidinehexanoic acid 	C10H18N2O3	214.131742	NA	MeJP	NA	NA
+MJ008773	Dethiobiotin 	C10H18N2O3	214.131742	NA	MeJP	NA	NA
+MetaCyc01986	dethiobiotin [Desthiobiotin;DTB;]	C10H18N2O3	214.131742	533-48-2	metacyc	NA	NA
+HMDB03581	Dethiobiotin	C10H18N2O3	214.131744	NA	HMDB2010	NA	NA
+PJ000045	PV 	C10H18N2O3	214.1318	NA	PeJP	NA	NA
+MJ008774	1,3,5,7(11),9-Guaiapentaen-15-ol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008775	1,4,8,10-Pentadecatetraen-6-yn-3-one 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008776	1,8,10-Pentadecatriene-4,6-diyn-3-ol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008777	1-(3-Methylbutyloxy)naphthalene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008778	15-Cadalenol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008779	2,8,10-Pentadecatriene-4,6-diyn-1-ol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008780	2,9-Pentadecadiene-4,6-diyn-1-al 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008781	2-Isopropyl-4,7-dimethyl-1-naphthol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008782	3-Cadalenol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008783	5,7,13-Pentadecatriene-9,11-diyn-1-ol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008784	5,7,13-Pentadecatriene-9,11-diyn-4-ol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008785	5-Isopropyl-3-methyl-2-naphthol; Me ether 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008786	7,13-Pentadecadiene-9,11-diyn-4-one 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008787	7,13-Pentadecadiene-9,11-diyn-6-one 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008788	8,10,14-Pentadecatriene-4,6-diyn-3-ol 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008789	8,12-Epoxy-1(10),4(15),7,11-guaiatetraene; 5?-form 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008790	8,12-Epoxy-4(15),5,7,11-cadinatetraene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008791	8,12-Epoxy-4(15),7,10(14),11-guaiatetraene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008792	Agassizin 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008793	Chromolaenin; 1?,2-Dihydro 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008794	Farfugin A 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008795	Farfugin B 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008796	Furanoeudesma-1,3-diene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008797	Furanotriene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008798	Furodysinin, 8,9-Didehydro 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008799	Furoventalene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008800	Isofuranotriene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008801	Laurene; 15-Oxo 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008802	Lindenene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008803	Lindestrene 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008804	Marmelerin 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008805	Pallescensin C 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008806	Pallescensin D 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008807	Pallescensin F 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008808	Pallescensin G 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008809	Pyrocurzerenone; 4,5-Dihydro 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008810	Tsitsikammafuran 	C15H18O	214.135765	NA	MeJP	NA	NA
+MJ008811	6,7,8,9-Tetrahydro-N,N-dimethyl-3H-benz[e]indol-8-amine 	C14H18N2	214.146998	NA	MeJP	NA	NA
+MJ008812	Cyclindole 	C14H18N2	214.146998	NA	MeJP	NA	NA
+MJ008813	Tefazoline 	C14H18N2	214.146998	NA	MeJP	NA	NA
+HMDB06830	Protein N6,N6,N6-trimethyl-L-lysine	C10H20N3O2	214.15555	http://www.hmdb.ca/metabolites/HMDB06830	HMDB	NA	NA
+HMDB06830	Protein N6,N6,N6-trimethyl-L-lysine	C10H20N3O2	214.15555	HMDB06830	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10727	3-Oxododecanoic acid	C12H22O3	214.156891	NA	HMDB2010	NA	NA
+MJ008814	12-Hydroxy-9-dodecenoic acid 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008815	2-Propyl-1,3-dioxaspiro[5.5]undecan-9-ol 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008816	3,3,5-Trimethylcyclohexanol; O-(2-Hydroxypropanoyl) 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008817	3-Hydroxy-5-dodecenoic acid 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008818	6-Ethyl-3-hydroxy-3,7-dimethyl-4-octenoic acid 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008819	6-Hydroxymethyl-2-methyl-1,7-octadiene-3,6-diol; 3,10-Dimethyl ether 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008820	Dihydro-4-hydroxy-5-methyl-3-(5-methylhexyl)-2(3H)-furanone 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008821	Putaminoxin; 5-Epimer, 6,7-dihydro 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008822	Streptoketol B 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MJ008823	?,5-Dimethyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane-7-methanol 	C12H22O3	214.156894	NA	MeJP	NA	NA
+MetaCyc01987	3-oxododecanoate [3-oxododecanoic acid;]	C12H22O3	214.156895	NA	metacyc	NA	NA
+C02367	3-Oxododecanoic acid	C12H22O3	214.1569	NA	KEGG	NA	NA
+MJ008824	3,13-Hexadecadiene-1,15-diyne 	C16H22	214.17215	NA	MeJP	NA	NA
+HMDB00910	Tridecanoic acid	C13H26O2	214.19328	http://www.hmdb.ca/metabolites/HMDB00910	HMDB	NA	NA
+MJ008825	10-Methyldodecanoic acid 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008826	2,6-Dimethyl-3-nonanol; Ac 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008827	2,6-Dimethylundecanoic acid 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008828	2-Methyldecanoic acid, Et ester 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008829	2-Methyldodecanoic acid 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008830	7-Methyl-4-decanol; Ac 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008831	Dodecanoic acid; Me ester 	C13H26O2	214.19328	NA	MeJP	NA	NA
+MJ008832	Tridecanoic acid 	C13H26O2	214.19328	NA	MeJP	NA	NA
+HMDB00910	Tridecanoic acid	C13H26O2	214.19328	HMDB00910	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00910	Tridecanoic acid	C13H26O2	214.193283	NA	HMDB2010	NA	NA
+C16640	CAI-1	C13H26O2	214.1933	NA	KEGG	NA	NA
+C17076	Tridecanoic acid	C13H26O2	214.1933	NA	KEGG	NA	NA
+HMDB11638	Tetradecanol	C14H30O	214.22966	NA	HMDB2010	NA	NA
+MJ008833	1-Tetradecanol 	C14H30O	214.229665	NA	MeJP	NA	NA
+MJ008834	3,9-Dimethyl-6-dodecanol 	C14H30O	214.229665	NA	MeJP	NA	NA
+MJ008835	4-Methyl-7-tridecanol 	C14H30O	214.229665	NA	MeJP	NA	NA
+7980	synthetic peptide	HHH	214.587	MH2+	Inhouse_peptide	NA	peptide
+3382	ACE inhibitor	GWAP	214.5945	MH2+	Inhouse_peptide	NA	peptide
+8047	synthetic peptide	PWQ	214.5945	MH2+	Inhouse_peptide	NA	peptide
+MJ008836	4-(2-Aminoethyl)-2-bromophenol 	C8H10BrNO	214.994576	NA	MeJP	NA	NA
+MetaCyc01988	erythronate-4-phosphate [4-Phospho-D-erythronate;4-phosphoerythronate;erythronate-4P;D-erythronate-4-phosphate;D-erythronate-4P;]	C4H8O8P1	214.995679	NA	metacyc	NA	NA
+CJpos0564	Citric acid [M+Na]+ (13C)	C5[13]CH8O7Na	215.011775	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0564	Citric acid [M+Na]+ (13C)	C5[13]CH8O7Na	215.011775	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06802	O-Phospho-4-hydroxy-L-threonine	C4H10NO7P	215.019485	NA	HMDB2010	NA	NA
+MJ008837	O-Phospho-4-hydroxy-L-threonine 	C4H10NO7P	215.019488	NA	MeJP	NA	NA
+MetaCyc01989	4-(phosphonooxy)-threonine [4-(Phosphonooxy)-L-threonine;]	C4H10N1O7P1	215.019488	NA	metacyc	NA	NA
+HMDB06802	O-Phospho-4-hydroxy-L-threonine	C4H10NO7P	215.01949	http://www.hmdb.ca/metabolites/HMDB06802	HMDB	NA	NA
+HMDB06802	O-Phospho-4-hydroxy-L-threonine	C4H10NO7P	215.01949	HMDB06802	PFEM_hmdb_metabocards_official	NA	NA
+C06055	O-Phospho-4-hydroxy-L-threonine	C4H10NO7P	215.0195	NA	KEGG	NA	NA
+MJ008838	Tiamenidine 	C8H10ClN3S	215.028395	NA	MeJP	NA	NA
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.0349	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.0349	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.0349	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.0349	Wishlist	Inhousejuil11	NA	NA
+MJ008839	2-Amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid 	C9H10ClNO3	215.03492	NA	MeJP	NA	NA
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	HMDB	NA	NA
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	Inhouse_PFEM	NA	NA
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR015	3-chlorotyrosine	C9H10ClNO3	215.034922	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	215.034927	NA	HMDB2010	NA	NA
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	215.03493	http://www.hmdb.ca/metabolites/HMDB01885	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	215.03493	http://www.hmdb.ca/metabolites/HMDB01885	HMDB	NA	NA
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	215.03493	Polypeptides  ;SYN:GSSG; Glutathione disulfide; Oxiglutatione; L(-)-Glutathione(oxidized)H2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	215.03493	http://www.hmdb.ca/metabolites/HMDB01885	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01885	3-Chlorotyrosine	C9H10ClNO3	215.03493	HMDB01885	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0388	Hippuric acid [(M+Cl)]-	C9H9ClNO3	215.035425	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0388	Hippuric acid [(M+Cl)]-	C9H9ClNO3	215.035425	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008840	Sulfanilylurea 	C7H9N3O3S	215.036461	NA	MeJP	NA	NA
+MJ008841	10H-Phenothiazin-1-ol 	C12H9NOS	215.040484	NA	MeJP	NA	NA
+MJ008842	Pyrido[3,2-g]pteridine-2,4(1H,3H)-dione 	C9H5N5O2	215.044324	NA	MeJP	NA	NA
+HMDB00114	Glycerylphosphorylethanolamine	C5H14NO6P	215.05586	http://www.hmdb.ca/metabolites/HMDB00114	HMDB	NA	NA
+HMDB00114	Glycerylphosphorylethanolamine	C5H14NO6P	215.05586	HMDB00114	PFEM_hmdb_metabocards_official	NA	NA
+MJ008843	sn-Glycero-3-phosphoethanolamine 	C5H14NO6P	215.055873	NA	MeJP	NA	NA
+MetaCyc01990	L-1-glycerophosphorylethanolamine [sn-Glycero-3-phosphoethanolamine;1-glycerophosphorylethanolamine;]	C5H14N1O6P1	215.055874	NA	metacyc	NA	NA
+HMDB00114	Glycerylphosphorylethanolamine	C5H14NO6P	215.055878	NA	HMDB2010	NA	NA
+C01233	sn-glycero-3-Phosphoethanolamine	C5H14NO6P	215.0559	NA	KEGG	NA	NA
+C10736	Robustine	C12H9NO3	215.0582	NA	KEGG	NA	NA
+MJ008844	Furo[2,3-b]quinoline-4,6-diol; NH-form, N-Me 	C12H9NO3	215.058243	NA	MeJP	NA	NA
+MJ008845	Furo[2,3-b]quinoline-4,7-diol; OH-form, 4-Me ether 	C12H9NO3	215.058243	NA	MeJP	NA	NA
+MJ008846	Furo[2,3-b]quinoline-4,8-diol; OH-form, 4-Me ether 	C12H9NO3	215.058243	NA	MeJP	NA	NA
+MJ008847	2-Amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid 	C9H10FNO4	215.059386	NA	MeJP	NA	NA
+MJ008848	Naftazone 	C11H9N3O2	215.069476	NA	MeJP	NA	NA
+MJ008849	Pirquinozol 	C11H9N3O2	215.069476	NA	MeJP	NA	NA
+MJ008850	Zyzzin; 5-Oxo analogue, C(4), N-dihydro 	C11H9N3O2	215.069476	NA	MeJP	NA	NA
+MJ008851	1-Methyl-4-mercaptohistidine, N?-Me 	C8H13N3O2S	215.072847	NA	MeJP	NA	NA
+MJ008852	Euscamine A 	C9H13NO5	215.079372	NA	MeJP	NA	NA
+MJ008853	Fulvanine A 	C9H13NO5	215.079372	NA	MeJP	NA	NA
+MJ008854	Glycerinopyrin 	C9H13NO5	215.079372	NA	MeJP	NA	NA
+C11711	Succinyl proline	C9H13NO5	215.0794	NA	KEGG	NA	NA
+C08272	Kinetin	C10H9N5O	215.0807	NA	KEGG	NA	NA
+HMDB12245	Kinetin	C10H9N5O	215.080704	NA	HMDB2010	NA	NA
+MJ008855	Kinetin 	C10H9N5O	215.080709	NA	MeJP	NA	NA
+MetaCyc01991	kinetin []	C10H9N5O1	215.08071	NA	metacyc	NA	NA
+8041	synthetic peptide	PWE	215.0865	MH2+	Inhouse_peptide	NA	peptide
+MJ008856	4-Ethyl-2-(hydroxyimino)-5-nitro-3-hexenamide 	C8H13N3O4	215.090605	NA	MeJP	NA	NA
+MJ008857	5-Aminoimidazole riboside 	C8H13N3O4	215.090605	NA	MeJP	NA	NA
+MetaCyc01992	atrazine [2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine;]	C8H14CL1N5	215.093773	1912-24-9	metacyc	NA	NA
+C06551	Atrazine	C8H14ClN5	215.0938	NA	KEGG	NA	NA
+MJ008858	3-Hydroxy-5-methyl-1-naphthalenecarboxylic acid; Me ether, amide 	C13H13NO2	215.094628	NA	MeJP	NA	NA
+MJ008859	4-Amino-2-methyl-1-naphthol; N-Ac 	C13H13NO2	215.094628	NA	MeJP	NA	NA
+MJ008860	5-(3-Methyl-2-butenyl)-1H-indole-2,3-dione 	C13H13NO2	215.094628	NA	MeJP	NA	NA
+MJ008861	6-(3-Methyl-2-butenyl)-1H-indole-2,3-dione 	C13H13NO2	215.094628	NA	MeJP	NA	NA
+MJ008862	Dilemmaone A; O-De-Me 	C13H13NO2	215.094628	NA	MeJP	NA	NA
+MJ008863	Phenopyrrozin 	C13H13NO2	215.094628	NA	MeJP	NA	NA
+MJ008864	1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrolo[3,2-b]pyridin-5-one 	C12H13N3O	215.105862	NA	MeJP	NA	NA
+MJ008865	Fenyripol 	C12H13N3O	215.105862	NA	MeJP	NA	NA
+8093	peptide derived from porcine collagen	QGAR	215.1085	MH2+	Inhouse_peptide	NA	peptide
+HMDB13124	Propenoylcarnitine	C10H17NO4	215.115753	NA	HMDB2010	NA	NA
+MJ008866	?-Amino-?-oxooxiraneoctanoic acid 	C10H17NO4	215.115758	NA	MeJP	NA	NA
+C12027	2-Amino-9,10-epoxy-8-oxodecanoic acid	C10H17NO4	215.1158	NA	KEGG	NA	NA
+MJ008867	Indanidine 	C11H13N5	215.117095	NA	MeJP	NA	NA
+8011	synthetic peptide	LWI	215.1235	MH2+	Inhouse_peptide	NA	peptide
+MJ008868	Dopastin 	C9H17N3O3	215.126991	NA	MeJP	NA	NA
+MJ008869	2,8-Decadiene-4,6-diynoic acid, 2-Methylpropylamide 	C14H17NO	215.131014	NA	MeJP	NA	NA
+MJ008870	2-Pentyl-4(1H)-quinolinone 	C14H17NO	215.131014	NA	MeJP	NA	NA
+MJ008871	Thalebanin B, 2,3-Didehydro 	C14H17NO	215.131014	NA	MeJP	NA	NA
+MJ008872	Tramazoline 	C13H17N3	215.142247	NA	MeJP	NA	NA
+C08094	Rimantadine hydrochloride	C12H21N	215.1441	NA	KEGG	NA	NA
+MJ008873	Fencamfamin 	C15H21N	215.167399	NA	MeJP	NA	NA
+MJ008874	Guaipyridine 	C15H21N	215.167399	NA	MeJP	NA	NA
+MJ008875	Patchoulipyridine 	C15H21N	215.167399	NA	MeJP	NA	NA
+MJ008876	N-(2-Ethylhexyl)-3-hydroxybutanamide 	C12H25NO2	215.188529	NA	MeJP	NA	NA
+MJ008877	Solamine 	C12H29N3	215.236147	NA	MeJP	NA	NA
+7950	synthetic peptide	YYS	215.579	MH2+	Inhouse_peptide	NA	peptide
+7972	synthetic peptide	YSY	215.579	MH2+	Inhouse_peptide	NA	peptide
+7974	synthetic peptide	SYY	215.579	MH2+	Inhouse_peptide	NA	peptide
+8004	peptide derived from sardinelle by-products proteins (Sardinella aurita)	LHY	215.6025	MH2+	Inhouse_peptide	NA	peptide
+8014	synthetic peptide	LWN	215.60295	MH2+	Inhouse_peptide	NA	peptide
+8071	synthetic peptide	RWA	215.6085	MH2+	Inhouse_peptide	NA	peptide
+MJ008878	Chloro(trichloromethyl) disulfide 	CCl4S2	215.819552	NA	MeJP	NA	NA
+MJ008879	1-Bromo-3,4-dichloro-3-buten-2-one 	C4H3BrCl2O	215.874432	NA	MeJP	NA	NA
+MJ008880	1,1-Dibromo-2-propanol 	C3H6Br2O	215.87854	NA	MeJP	NA	NA
+MJ008881	1,3-Dibromo-2-propanol 	C3H6Br2O	215.87854	NA	MeJP	NA	NA
+C06597	1,3,4,6-Tetrachloro-1,4-cyclohexadiene	C6H4Cl4	215.9067	NA	KEGG	NA	NA
+MJ008882	1,3,4,6-Tetrachloro-1,4-cyclohexadiene 	C6H4Cl4	215.906711	NA	MeJP	NA	NA
+MetaCyc01993	1,3,4,6-tetrachloro-1,4-cyclohexadiene [1,4-TCDN;]	C6H4CL4	215.906711	NA	metacyc	NA	NA
+MJ008883	Methyl 2-propenyl pentasulfide 	C4H8S5	215.922953	NA	MeJP	NA	NA
+MJ008884	2,4,6-Trithiaheptane-3-thione 6,6-dioxide 	C4H8O2S4	215.940712	NA	MeJP	NA	NA
+MJ008885	3-Bromo-4,5-dihydroxybenzaldehyde 	C7H5BrO3	215.942206	NA	MeJP	NA	NA
+MJ008886	3-Bromo-4-hydroxybenzoic acid 	C7H5BrO3	215.942206	NA	MeJP	NA	NA
+C07269	Nitroprusside	C5FeN6O	215.9483	NA	KEGG	NA	NA
+MJ008887	3-Bromo-4-hydroxybenzyl alcohol; 1'-Me ether 	C8H9BrO2	215.978592	NA	MeJP	NA	NA
+C04399	S-Methyl-3-phospho-1-thio-D-glycerate	C4H9O6PS	215.9857	NA	KEGG	NA	NA
+MJ008888	4-Bromo-2-(guanidinomethyl)pyrrole 	C6H9BrN4	216.001058	NA	MeJP	NA	NA
+C03356	3-Phospho-D-erythronate	C4H9O8P	216.0035	NA	KEGG	NA	NA
+C03393	4-Phospho-D-erythronate	C4H9O8P	216.0035	NA	KEGG	NA	NA
+MJ008889	4-Phospho-D-erythronate 	C4H9O8P	216.003503	NA	MeJP	NA	NA
+MJ008890	Psoralenquinone 	C11H4O5	216.005873	NA	MeJP	NA	NA
+C08397	5-(3-Buten-1-ynyl)-2,2'-bithienyl	C12H8S2	216.0067	NA	KEGG	NA	NA
+MJ008891	5-(3-Buten-1-ynyl)-2,2'-bithiophene 	C12H8S2	216.006741	NA	MeJP	NA	NA
+C06722	1,2-Dihydroxydibenzothiophene	C12H8O2S	216.0245	NA	KEGG	NA	NA
+MetaCyc01994	dibenzothiophene-5,5-dioxide [DBTO2;dibenzothiophene sulfone;dibenzothiophene dioxide;]	C12H8O2S1	216.0245	1016-05-3	metacyc	NA	NA
+MetaCyc01995	1,2-dihydroxydibenzothiophene []	C12H8O2S1	216.0245	NA	metacyc	NA	NA
+C13085	Sodium glucuronate	C6H9O7	216.0246	NA	KEGG	NA	NA
+C04052	5-Carboxy-2-oxohept-3-enedioate	C8H8O7	216.027	NA	KEGG	NA	NA
+C04186	5-Carboxymethyl-2-hydroxymuconate	C8H8O7	216.027	NA	KEGG	NA	NA
+MJ008892	5-Carboxy-2-oxohept-3-enedioate 	C8H8O7	216.027002	NA	MeJP	NA	NA
+MJ008893	5-Carboxymethyl-2-hydroxymuconate 	C8H8O7	216.027002	NA	MeJP	NA	NA
+MetaCyc01996	5-carboxy-2-oxohept-3-enedioate [OPET;5-carboxy-2-oxohex-3-ene-1,6-dioate;5-oxopent-3-ene-1,2,5-tricarboxylate;1-oxopent-3-ene-1,4,5-tricarboxylate;]	C8H8O7	216.027003	NA	metacyc	NA	NA
+MetaCyc01997	5-carboxymethyl-2-hydroxymuconate [2-hydroxy-5-carboxymethylmuconate;5-carboxymethyl-2-hydroxy-cis,cis-muconate;]	C8H8O7	216.027003	NA	metacyc	NA	NA
+MJ008894	N-Ethyl-N'-(5-nitro-2-thiazolyl)urea 	C6H8N4O3S	216.03171	NA	MeJP	NA	NA
+MJ008895	1-Chloro-3-tridecene-5,7,9,11-tetrayn-2-ol 	C13H9ClO	216.034192	NA	MeJP	NA	NA
+MJ008896	2-Chloro-3-tridecene-5,7,9,11-tetrayn-1-ol 	C13H9ClO	216.034192	NA	MeJP	NA	NA
+MJ008897	2-Chloromethyl-2,5-dihydro-5-(2,4,6-octatriynylidene)furan 	C13H9ClO	216.034192	NA	MeJP	NA	NA
+MJ008898	5-Chloro-5,6-dihydro-2-(2,4,6-octatriynylidene)-2H-pyran 	C13H9ClO	216.034192	NA	MeJP	NA	NA
+MetaCyc01998	2-C-methyl-D-erythritol-4-phosphate [MEP;]	C5H13O7P1	216.039889	NA	metacyc	NA	NA
+C11434	2-C-Methyl-D-erythritol 4-phosphate	C5H13O7P	216.0399	NA	KEGG	NA	NA
+CJneg0389	Hexose [(M+Cl)]-	C6H12ClO6	216.040625	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0389	Hexose [(M+Cl)]-	C6H12ClO6	216.040625	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ008899	1,4-Azulenedicarboxylic acid 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008900	2H-Furo[2,3-h][1]benzopyran-2-one; 3-Methoxy 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008901	4-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; Me ether 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008902	6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008903	6-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; Me ether 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008904	Bergaptol; Me ether 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008905	Isobergaptol; Me ether 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008906	Nitidone 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008907	Visnagin; O-De-Me 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MJ008908	Xanthotoxin 	C12H8O4	216.042258	NA	MeJP	NA	NA
+MetaCyc01999	O-methylbergaptol []	C12H8O4	216.042259	484-20-8	metacyc	NA	NA
+MetaCyc02000	8-methoxyfuranocoumarin [Xanthotoxin;Methoxsalen;O-METHYLXANTHOTOXOL;]	C12H8O4	216.042259	298-81-7	metacyc	NA	NA
+MetaCyc02001	5-methoxyfuranocoumarin []	C12H8O4	216.042259	NA	metacyc	NA	NA
+C01557	Bergapten	C12H8O4	216.0423	NA	KEGG	NA	NA
+C01864	Xanthotoxin	C12H8O4	216.0423	NA	KEGG	NA	NA
+C17843	Norvisnagin	C12H8O4	216.0423	NA	KEGG	NA	NA
+C18081	Sphondin	C12H8O4	216.0423	NA	KEGG	NA	NA
+C18082	Isobergapten	C12H8O4	216.0423	NA	KEGG	NA	NA
+MJ008909	7-Chloro-?-carboline; N-Me 	C12H9ClN2	216.045426	NA	MeJP	NA	NA
+MJ008910	1-(3-Chloro-4-methoxyphenyl)-1,2-propanediol 	C10H13ClO3	216.055321	NA	MeJP	NA	NA
+HMDB04821	Bisnorbiotin	C8H12N2O3S	216.05685	http://www.hmdb.ca/metabolites/HMDB04821	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04821	Bisnorbiotin	C8H12N2O3S	216.05685	http://www.hmdb.ca/metabolites/HMDB04821	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04821	Bisnorbiotin	C8H12N2O3S	216.05685	http://www.hmdb.ca/metabolites/HMDB04821	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04821	Bisnorbiotin	C8H12N2O3S	216.05685	http://www.hmdb.ca/metabolites/HMDB04821	HMDB	NA	NA
+HMDB04821	Bisnorbiotin	C8H12N2O3S	216.05685	HMDB04821	PFEM_hmdb_metabocards_official	NA	NA
+MJ008911	6-Aminopenicillanic acid 	C8H12N2O3S	216.056862	NA	MeJP	NA	NA
+MetaCyc02002	6-aminopenicillanate [6-Aminopenicillanic acid;]	C8H12N2O3S1	216.056863	551-16-6	metacyc	NA	NA
+HMDB04821	Bisnorbiotin	C8H12N2O3S	216.05687	NA	HMDB2010	NA	NA
+C02954	6-Aminopenicillanate	C8H12N2O3S	216.0569	NA	KEGG	NA	NA
+MJ008912	9-(2-Thienyl)-6-nonen-8-yn-3-one, 4,5-Didehydro (E-) 	C13H12OS	216.060885	NA	MeJP	NA	NA
+MJ008913	9-(2-Thienyl)-6-nonen-8-yn-3-one, 4,5-Didehydro (Z-) 	C13H12OS	216.060885	NA	MeJP	NA	NA
+MJ008914	4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 6-Ac 	C9H12O6	216.063388	NA	MeJP	NA	NA
+MJ008915	4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 1'-Ac 	C9H12O6	216.063388	NA	MeJP	NA	NA
+MJ008916	4,5,6-Trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-one, 1'-O-Ac 	C9H12O6	216.063388	NA	MeJP	NA	NA
+MetaCyc02003	cis-(homo)3aconitate [(Z)-1,2,6-hex-1-enetricarboxylic acid;]	C9H12O6	216.063388	NA	metacyc	NA	NA
+MetaCyc02004	(S)-&beta;-methylindolepyruvate [(S)-&beta;-methylindole-3-pyruvate;]	C12H10N1O3	216.066068	NA	metacyc	NA	NA
+C10963	Terbacil	C9H13ClN2O2	216.0666	NA	KEGG	NA	NA
+7648	ACE inhibitor from ovalbumin	FCF	216.068	MH2+	Inhouse_peptide	NA	peptide
+C17359	8-Hydroxyalanylclavam	C8H12N2O5	216.0746	NA	KEGG	NA	NA
+C09954	Nepodin	C13H12O3	216.0786	NA	KEGG	NA	NA
+C11491	NOP	C13H12O3	216.0786	NA	KEGG	NA	NA
+C14613	Allenolic acid	C13H12O3	216.0786	NA	KEGG	NA	NA
+MJ008917	2,3-Dihydro-2-methylnaphtho[1,8-bc]pyran-3,5-diol 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008918	2-Acetyl-3-methyl-1,8-naphthalenediol 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008919	3,11-Tridecadiene-5,7,9-triyne-1,2,13-triol 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008920	3-(1-Butenyl)-1H-2-benzopyran-1-one, 5-Hydroxy 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008921	3-(1-Hydroxy-2-butenyl)-1H-2-benzopyran-1-one 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008922	4,5-Dihydroxy-2-naphthalenecarboxaldehyde; Di-Me ether 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008923	4-Hydroxymethyl-1-azulenecarboxylic acid; Me ester 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008924	4-Hydroxymethyl-1-azulenecarboxylic acid; Me ether 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008925	5-Acetyl-6-hydroxy-2-isopropenylbenzofuran 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008926	5-Hydroxy-3-(2-hydroxyethyl)-2-methyl-1,4-naphthoquinone; 5-Deoxy 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008927	6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008928	6-(3,4-Dihydroxyphenyl)-3,5-hexadien-2-one; Methylene ether 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008929	7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol, Deoxy, 8,9-epoxy 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008930	7-Hydroxy-8-(2-propenyl)-2H-1-benzopyran-2-one; Me ether 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008931	7-Phenyl-4,6-heptadiyne-1,2,3-triol 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008932	Ageratone; Deacetoxy 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008933	Bitalin A, 12-Aldehyde 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008934	Boropinal B 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008935	Eucalyptene, Parent acid 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008936	Goniothalamin, 5?-Hydroxy 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008937	Goniothalamin, 7R,8R-Epoxide 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008938	Goniothalamin, 7S,8S-Epoxide 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008939	Isoeuparin 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008940	Mukagolactone 	C13H12O3	216.078644	NA	MeJP	NA	NA
+MJ008941	1,2,3,4-Tetrahydro-5-methoxy-1-oxo-?-carboline 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008942	1,2,3,4-Tetrahydro-?-carboline-3-carboxylic acid 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008943	2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008944	3',4'-Dihydrospiro[imidazolidine-4,2'(1'H)-naphthalene]-2,5-dione 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008945	Cyclazodone 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008946	Damirone A 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008947	Ketotetrahydronorharmine 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008948	N-[2-(1H-Indol-3-yl)-2-oxoethyl]acetamide 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008949	Zimidoben 	C12H12N2O2	216.089877	NA	MeJP	NA	NA
+MJ008950	Tazolol 	C9H16N2O2S	216.093248	NA	MeJP	NA	NA
+C14384	Benzo[b]fluorene	C17H12	216.0939	NA	KEGG	NA	NA
+8006	synthetic peptide	LWD	216.09495	MH2+	Inhouse_peptide	NA	peptide
+7833	ACE inhibitor	PT	216.099	immunomodulating	Inhouse_peptide	NA	peptide
+MJ008951	3-Methoxy-3-(tetrahydro-5-methoxy-4-methyl-3-furanyl)-2-propenoic acid 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008952	5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008953	Cephalosporolide C 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008954	Crotalaric acid 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008955	Decarestrictine D 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008956	Decarestrictine G 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008957	Decarestrictine M 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008958	Decarestrictine O 	C10H16O5	216.099773	NA	MeJP	NA	NA
+MJ008959	Longiflorone 	C10H16O5	216.099773	NA	MeJP	NA	NA
+C15700	gamma-Glutamyl-gamma-aminobutyraldehyde	C9H16N2O4	216.111	NA	KEGG	NA	NA
+PJ000046	PT 	C9H16N2O4	216.111	NA	PeJP	NA	NA
+MJ008960	2,5-Diaminopentanoic acid, N2,N5-Di-Ac 	C9H16N2O4	216.111007	NA	MeJP	NA	NA
+MJ008961	Dysibetaine 	C9H16N2O4	216.111007	NA	MeJP	NA	NA
+7499	ACE inhibitor (from bovine as1-CN)	FVAP	216.1125	MH2+	Inhouse_peptide	NA	peptide
+MJ008962	1-(2-Hydroxy-5-vinylphenyl)-3-methyl-2-buten-1-one; Me ether 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008963	2,3-Dihydro-2-isopropenyl-6-methoxy-5-vinylbenzofuran 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008964	2,8,10-Tetradecatriene-4,6-diyne-1,14-diol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008965	2-(6-Methoxy-2-naphthalenyl)-1-propanol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008966	3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; Alcohol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008967	4,6,12-Tetradecatriene-8,10-diyne-1,3-diol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008968	4-Nor-2,6,8-illudalatrien-5,14-olide 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008969	5,5a,6,7-Tetrahydro-1,5-dimethylnaphtho[2,1-b]furan-8(4H)-one 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008970	6-Acetyl-2,2,7-trimethyl-2H-1-benzopyran 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008971	6-Tetradecene-8,10,12-triyne-1,5-diol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008972	7,11-Tetradecadiene-5,9-diynoic acid 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008973	7-Methoxy-2,2-dimethyl-6-vinyl-2H-1-benzopyran 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008974	8-Norlactaranelactone 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008975	9-(Tetrahydro-2H-pyran-2-yl)-1,8-nonadiene-4,6-diyn-3-ol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008976	9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008977	Drupanin; Aldehyde 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008978	Liguhodgsonal 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008979	Ligujapone 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008980	Precolpuchol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MJ008981	Tetrahydro-2-(1,7-nonadiene-3,5-diynyl)-2H-pyran-3-ol 	C14H16O2	216.115029	NA	MeJP	NA	NA
+MetaCyc02005	4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-dial []	C14H16O2	216.11503	NA	metacyc	NA	NA
+HMDB04620	N-a-Acetyl-L-arginine	C8H16N4O3	216.122238	NA	HMDB2010	NA	NA
+HMDB04620	N-alpha-Acetyl-L-arginine	C8H16N4O3	216.12224	http://www.hmdb.ca/metabolites/HMDB04620	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04620	N-alpha-Acetyl-L-arginine	C8H16N4O3	216.12224	http://www.hmdb.ca/metabolites/HMDB04620	HMDB	NA	NA
+HMDB04620	N-a-Acetyl-L-arginine	C8H16N4O3	216.12224	NA  ;SYN:L-4-hydroxy-proline; L-4-Hydroxyproline; L-4-allo-hydroxy-Proline; 4-hydroxy-L-Proline; cis-4-hydroxy-L-Proline; cis-4-hydroxyproline;(2S)-4-hydroxypyrrolidine-2-carboxylic acid; (4S)-4-hydroxy-L-Proline; allo-4-Hydroxy-L-proline; allo-4-Hydroxyproline; allo-hydroxy-L-Proline; L-AllohydroxyprolineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB04620	N-alpha-Acetyl-L-arginine	C8H16N4O3	216.12224	http://www.hmdb.ca/metabolites/HMDB04620	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04620	N-alpha-Acetyl-L-arginine	C8H16N4O3	216.12224	HMDB04620	PFEM_hmdb_metabocards_official	NA	NA
+MJ008982	1,2,3,4-Tetrahydro-1-methyl-?-carboline, 5-Methoxy 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008983	1,2,3,4-Tetrahydro-6-hydroxy-?-carboline; N2,O-Di-Me 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008984	1,2,3,4-Tetrahydro-6-methoxy-1-methyl-?-carboline 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008985	7-Hydroxy-1-methyl-?-carboline; 1,2,3,4-Tetrahydro, N2-Me 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008986	Cirazoline 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008987	Efaroxan 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008988	Girgensonine 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008989	N-Methyltryptamine; Nb-Ac 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008990	Newbouldine, 4'-Methoxy 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008991	Oxantel 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+MJ008992	Tetrahydroharmine 	C13H16N2O	216.126263	NA	MeJP	NA	NA
+C09243	Tetrahydroharmine	C13H16N2O	216.1263	NA	KEGG	NA	NA
+C10148	Girgensonine	C13H16N2O	216.1263	NA	KEGG	NA	NA
+3183	dipeptidyl-aminopeptidase IV inhibitor	VV	216.136	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB00888	Undecanedioic acid	C11H20O4	216.13615	http://www.hmdb.ca/metabolites/HMDB00888	HMDB	NA	NA
+HMDB00888	Undecanedioic acid	C11H20O4	216.13615	HMDB00888	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00888	Undecanedioic acid	C11H20O4	216.136154	NA	HMDB2010	NA	NA
+MJ008993	1,3,8-Trihydroxy-7-methyl-2-methylene-4-nonanone 	C11H20O4	216.136159	NA	MeJP	NA	NA
+MJ008994	Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)-2(3H)-furanone 	C11H20O4	216.136159	NA	MeJP	NA	NA
+MJ008995	Dihydro-4-(hydroxymethyl)-3-(1-hydroxyhexyl)-2(3H)-furanone 	C11H20O4	216.136159	NA	MeJP	NA	NA
+MJ008996	Ficusolide 	C11H20O4	216.136159	NA	MeJP	NA	NA
+MJ008997	Homononactinic acid 	C11H20O4	216.136159	NA	MeJP	NA	NA
+MJ008998	Undecanedioic acid 	C11H20O4	216.136159	NA	MeJP	NA	NA
+MetaCyc02006	me-iP [6-(N-isopent-2-enyl-N-methylamino)-purine;]	C12H16N4	216.137497	NA	metacyc	NA	NA
+MJ008999	2,5-Diaminopentanoic acid, N5-Tri-Me, N2-Ac 	C10H20N2O3	216.147392	NA	MeJP	NA	NA
+MJ009000	3,4-Diaminobutanoic acid, N4-Tri-Me, N3-propanoyl 	C10H20N2O3	216.147392	NA	MeJP	NA	NA
+PJ000047	VV 	C10H20N2O3	216.1474	NA	PeJP	NA	NA
+C16919	Atractylone	C15H20O	216.1514	NA	KEGG	NA	NA
+C16959	Furanodiene	C15H20O	216.1514	NA	KEGG	NA	NA
+MJ009001	1(10),3,11-Spirovetivatrien-2-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009002	1(10),3-Aromadendradien-2-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009003	1(10),8-Aristoladien-2-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009004	1(5),6,9-Guaiatrien-8-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009005	1,3,5,10-Bisabolatetraen-1-ol, 8,9-Didehydro (E-) 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009006	1,3,5,10-Bisabolatetraen-12-ol, 12-Aldehyde 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009007	1,3,5,10-Bisabolatetraen-15-al 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009008	1,3,5,10-Bisabolatetraen-9-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009009	1,3,5,11-Bisabolatetraen-10-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009010	1,3,5,7(14),10-Farnesapentaen-12-ol, 12-Aldehyde 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009011	1,3,7(11)-Eudesmatrien-8-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009012	1,4(15),5,10(14)-Germacratetraen-9-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009013	1,4(15)-Aromadendradien-3-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009014	1,4,8,10-Pentadecatetraen-6-yn-3-ol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009015	13(11?10)-Abeo-2,7(14),11-chamigratrien-4-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009016	13-Pentadecene-9,11-diyn-6-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009017	2,9-Pentadecadiene-4,6-diyn-1-ol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009018	2-(2,6-Dimethyl-5,7-octadienyl)-4-methylfuran; 7,8-Didehydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009019	3-(4,8-Dimethyl-1,4,6-nonatrienyl)furan 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009020	3-(4,8-Dimethyl-2,4,6-nonatrienyl)furan 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009021	3-(4,8-Dimethyl-3,6,8-nonatrienyl)furan 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009022	3-Pentadecene-5,7-diyn-2-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009023	4,11-Eudesmadien-3-one, 1,2-Didehydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009024	4,8,11-Daucatrien-14-al 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009025	5,7,11-Cineratrien-9-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009026	6,11-Epoxy-5,10-pinguisadien-3-one; Deoxo, 4,15-didehydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009027	7,13-Pentadecadiene-9,11-diyn-6-ol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009028	8,12-Epoxy-1(10),4,7,11-germacratetraene 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009029	8,12-Epoxy-4,7,11-guaiatriene 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009030	8-Pentadecene-11,13-diyn-2-one 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009031	?-Cuparenone 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009032	Aplysin; Debromo 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009033	Cinalbicol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009034	Curcumene ether 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009035	Furanoeremophil-1(10)-ene 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009036	Furanoeremophilane; 9,10-Didehydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009037	Furodysin 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009038	Herbacin 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009039	Isogermafurene 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009040	Jungianol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009041	Laevidiene 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009042	Laurene; 15-Hydroxy 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009043	Laurene; 7-Hydroxy 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009044	Laurol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009045	Lindestrene; 1,2-Dihydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009046	Mutisianthol 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009047	Nakafuran 8 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009048	Nakafuran 9 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009049	Pallescensin B 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009050	Parvifoline 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009051	Penlanfuran 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009052	Penlanpallescensin, 3,4-Didehydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009053	Plagiochiline N 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009054	Pleraplysillin 1 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009055	Solanascone; 2,3-Didehydro 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009056	Verboccidentafuran 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009057	?-Calacorene; 3-Hydroxy 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009058	?-Calacorene; ?10,14-Isomer, 3-hydroxy 	C15H20O	216.151415	NA	MeJP	NA	NA
+MJ009059	?-Cuparenone 	C15H20O	216.151415	NA	MeJP	NA	NA
+C08317	12-Hydroxydodecanoic acid	C12H24O3	216.1725	NA	KEGG	NA	NA
+MJ009060	11-Hydroxydodecanoic acid 	C12H24O3	216.172544	NA	MeJP	NA	NA
+MJ009061	12-Hydroxydodecanoic acid 	C12H24O3	216.172544	NA	MeJP	NA	NA
+MJ009062	2-Hydroxydodecanoic acid 	C12H24O3	216.172544	NA	MeJP	NA	NA
+MJ009063	3-Hydroxydodecanoic acid 	C12H24O3	216.172544	NA	MeJP	NA	NA
+MJ009064	5-Isopropyl-3-nonene-2,8-diol, 3,4-Epoxide 	C12H24O3	216.172544	NA	MeJP	NA	NA
+MJ009065	9-Hydroxydodecanoic acid 	C12H24O3	216.172544	NA	MeJP	NA	NA
+MJ009066	Puulenal 	C12H24O3	216.172544	NA	MeJP	NA	NA
+HMDB00387	3-Hydroxydodecanoic acid	C12H24O3	216.172546	NA	HMDB2010	NA	NA
+HMDB02059	12-Hydroxydodecanoic acid	C12H24O3	216.172546	NA	HMDB2010	NA	NA
+HMDB10728	(R)-3-Hydroxydodecanoic acid	C12H24O3	216.172546	NA	HMDB2010	NA	NA
+HMDB00387	3-Hydroxydodecanoic acid	C12H24O3	216.17255	http://www.hmdb.ca/metabolites/HMDB00387	HMDB	NA	NA
+HMDB02059	12-Hydroxydodecanoic acid	C12H24O3	216.17255	http://www.hmdb.ca/metabolites/HMDB02059	HMDB	NA	NA
+HMDB00387	3-Hydroxydodecanoic acid	C12H24O3	216.17255	HMDB00387	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02059	12-Hydroxydodecanoic acid	C12H24O3	216.17255	HMDB02059	PFEM_hmdb_metabocards_official	NA	NA
+MJ009067	2,5-Diaminopentanoic acid, N-Hexa-Me 	C11H25N2O2(+)	216.183778	NA	MeJP	NA	NA
+MJ009068	4,4'-Diaminodibutylamine; N1-(3-Aminopropyl) 	C11H28N4	216.231396	NA	MeJP	NA	NA
+MJ009069	Canavalmine 	C11H28N4	216.231396	NA	MeJP	NA	NA
+MJ009070	Thermospermine; N3-Me 	C11H28N4	216.231396	NA	MeJP	NA	NA
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	216.433594	MH2+	Inhouse_peptide	NA	peptide
+3126	fibronectin inhibitor	RGDS	216.59045	MH2+	Inhouse_peptide	NA	peptide
+HMDB00698	Lithocholic acid glycine conjugate	C26H43NO4	216.659607	MH2+	Inhouse_peptide	NA	peptide
+MJ009071	(3-Aminophenyl)arsonic acid 	C6H8AsNO3	216.972014	NA	MeJP	NA	NA
+MJ009072	(4-Aminophenyl)arsonic acid 	C6H8AsNO3	216.972014	NA	MeJP	NA	NA
+MJ009073	Brocresine 	C7H8BrNO2	216.973841	NA	MeJP	NA	NA
+C14229	Propanil	C9H9Cl2NO	217.0061	NA	KEGG	NA	NA
+JH093	Hippuric acid [M+K]+	NA	217.0078	10.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH093	Hippuric acid [M+K]+	NA	217.0078	10.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH093	Hippuric acid [M+K]+	NA	217.0078	10.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH093	Hippuric acid [M+K]+	NA	217.0078	10.55	Inhousejuil11	NA	NA
+MJ009074	[(4-Nitrophenyl)methyl]phosphonic acid 	C7H8NO5P	217.014008	NA	MeJP	NA	NA
+MJ009075	7-Chlorocavernicolenone 	C8H8ClNO4	217.014185	NA	MeJP	NA	NA
+CJneg0390	Hippuric acid [(M+Cl)]- (37Cl)	C9H9Cl037ClNO3	217.032525	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0390	Hippuric acid [(M+Cl)]- (37Cl)	C9H9Cl037ClNO3	217.032525	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0565	?-hydroxyhippuric acid [(M+Na)]+	C9H9NNaO4	217.034575	C18rt(min)=5.18 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0566	p-Hydroxyhippuric acid [(M+Na)]+	C9H9NNaO4	217.034575	C18rt(min)=4.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0565	?-hydroxyhippuric acid [(M+Na)]+	C9H9NNaO4	217.034575	C18rt(min)=5.18 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0566	p-Hydroxyhippuric acid [(M+Na)]+	C9H9NNaO4	217.034575	C18rt(min)=4.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ009076	3-Amino-1,4-naphthoquinone-2-carboxylic acid 	C11H7NO4	217.037507	NA	MeJP	NA	NA
+MJ009077	3-Hydroxy-1,4-naphthoquinone-2-carboxylic acid; Amide 	C11H7NO4	217.037507	NA	MeJP	NA	NA
+HMDB06409	Tyramine-O-sulfate	C8H11NO4S	217.040878	NA	HMDB2010	NA	NA
+HMDB06409	Tyramine O-sulfate	C8H11NO4S	217.04088	http://www.hmdb.ca/metabolites/HMDB06409	HMDB	NA	NA
+HMDB06409	Tyramine O-sulfate	C8H11NO4S	217.04088	HMDB06409	PFEM_hmdb_metabocards_official	NA	NA
+MJ009078	Flurofamide 	C7H9FN3O2P	217.041641	NA	MeJP	NA	NA
+CJneg0391	Hexose [(M+Cl)]- (13C)	C513CH12ClO6	217.043925	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0391	Hexose [(M+Cl)]- (13C)	C513CH12ClO6	217.043925	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009079	?-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid 	C7H8FN3O4	217.049883	NA	MeJP	NA	NA
+CJneg0392	Tyrosine isomer [(M+Cl)]-	C9H11ClNO3	217.051125	C18rt(min)=6.02 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0392	Tyrosine isomer [(M+Cl)]-	C9H11ClNO3	217.051125	C18rt(min)=6.02 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009080	2-Quinolinemethanethiol; S-Ac 	C12H11NOS	217.056134	NA	MeJP	NA	NA
+C04690	2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	C8H11NO6	217.0586	NA	KEGG	NA	NA
+MJ009081	2,4,5-Piperidinetricarboxylic acid 	C8H11NO6	217.058637	NA	MeJP	NA	NA
+MJ009082	Lycoperdic acid 	C8H11NO6	217.058637	NA	MeJP	NA	NA
+MetaCyc02007	2-(hydroxymethyl)-3-(acetamidomethylene)succinate [2-(acetamidomethylene)-3-(hydroxymethyl)succinate;]	C8H11N1O6	217.058637	NA	metacyc	NA	NA
+MetaCyc02008	2-(acetamidomethylene)-3-(hydroxymethyl)succinate [2-(hydroxymethyl)-3-(acetamidomethylene)succinate;]	C8H11N1O6	217.058637	NA	metacyc	NA	NA
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR283	Neopterine F4	NA	217.063275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR283	Neopterine F4	NA	217.063275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR283	Neopterine F4	NA	217.063275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR283	Neopterine F4	NA	217.063275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR283	Neopterine F4	F4	217.063275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ009083	Tinazoline 	C11H11N3S	217.067368	NA	MeJP	NA	NA
+MJ009084	Thrazarine 	C7H11N3O5	217.06987	NA	MeJP	NA	NA
+MJ009085	3-Methylindolepyruvate 	C12H11NO3	217.073893	NA	MeJP	NA	NA
+MJ009086	2-Hydroxy-4-quinolinecarboxylic acid; Et ester 	C12H11NO3	217.073893	NA	MeJP	NA	NA
+MJ009087	7-Methoxy-1,6-dimethyl-5,8-isoquinolinedione 	C12H11NO3	217.073893	NA	MeJP	NA	NA
+MJ009088	Antibiotic S 12792B 	C12H11NO3	217.073893	NA	MeJP	NA	NA
+C03914	(S)-beta-Methylindolepyruvate	C12H11NO3	217.0739	NA	KEGG	NA	NA
+C05644	3-Methylindolepyruvate	C12H11NO3	217.0739	NA	KEGG	NA	NA
+MJ009089	Acidomycin 	C9H15NO3S	217.077264	NA	MeJP	NA	NA
+MJ009090	Captopril 	C9H15NO3S	217.077264	NA	MeJP	NA	NA
+MetaCyc02009	acidomycin []	C9H15N1O3S1	217.077264	NA	metacyc	NA	NA
+MJ009091	Mivazerol 	C11H11N3O2	217.085126	NA	MeJP	NA	NA
+MJ009092	Piroximone 	C11H11N3O2	217.085126	NA	MeJP	NA	NA
+MJ009093	1-Isothiocyanato-8-(methylthio)octane 	C10H19NS2	217.09589	NA	MeJP	NA	NA
+MJ009094	1,4-Dihydro-4,6,7-trimethyl-9H-imidazo[1,2-a]purin-9-one 	C10H11N5O	217.096359	NA	MeJP	NA	NA
+MJ009095	Sampirtine 	C12H12FN3	217.101525	NA	MeJP	NA	NA
+3199	chymotrypsin inhibitor	PGVY	217.102	MH2+	Inhouse_peptide	NA	peptide
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	PFEM_hmdb_metabocards_urine	NA	urine
+JH145	Alanyl glutamine [M+H]+	C8H15N3O4	217.1059	1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH145	Alanyl glutamine [M+H]+	C8H15N3O4	217.1059	1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH145	Alanyl glutamine [M+H]+	C8H15N3O4	217.1059	1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	HMDB	NA	NA
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	Inhouse_PFEM	NA	NA
+JH145	Alanyl glutamine [M+H]+	C8H15N3O4	217.1059	1.12	Inhousejuil11	NA	NA
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	PFEM_hmdb_metabocards_blood	NA	blood
+JH145	Alanyl glutamine 	C8H15N3O4	217.1059	Rtobs1.12	PFEM_hmdb_metabocards_official	NA	NA
+MJ009096	Pantocin B; De(methylsulfonyl) 	C8H15N3O4	217.106255	NA	MeJP	NA	NA
+MetaCyc02010	N-acetyl-L-citrulline [acetyl-citrulline;]	C8H15N3O4	217.106256	NA	metacyc	NA	NA
+HMDB00856	N-a-Acetylcitrulline	C8H15N3O4	217.10626	http://www.hmdb.ca/metabolites/HMDB00856	HMDB	NA	NA
+HMDB00856	N-a-Acetylcitrulline	C8H15N3O4	217.10626	HMDB00856	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00856	N-a-Acetylcitrulline	C8H15N3O4	217.106262	NA	HMDB2010	NA	NA
+C15532	N-Acetyl-L-citrulline	C8H15N3O4	217.1063	NA	KEGG	NA	NA
+PJ000048	AQ 	C8H15N3O4	217.1063	NA	PeJP	NA	NA
+3535	ACE inhibitor	YPR	217.108	MH2+	Inhouse_peptide	NA	peptide
+3536	ACE inhibitor	PRY	217.108	MH2+	Inhouse_peptide	NA	peptide
+MJ009097	4-Ethyl-3-methyl-3-phenyl-2,5-pyrrolidinedione 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009098	6,8-Dimethoxy-1,3-dimethylisoquinoline 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009099	7-(3-Methyl-2-butenyl)-1H-indole; 1'-Hydroxy, 3',4'-epoxide 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009100	Allosecurinine 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009101	Glutethimide 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009102	Hexahydro-1H-furo[3,4-c]pyrrole; N-Benzoyl 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009103	Methastyridone 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009104	Securinegine 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+MJ009105	Securinine 	C13H15NO2	217.110278	NA	MeJP	NA	NA
+C07489	Glutethimide	C13H15NO2	217.1103	NA	KEGG	NA	NA
+C10614	Securinine	C13H15NO2	217.1103	NA	KEGG	NA	NA
+MJ009106	Gigartinine 	C7H15N5O3	217.117489	NA	MeJP	NA	NA
+MJ009107	Noramidopyrine 	C12H15N3O	217.121512	NA	MeJP	NA	NA
+MJ009108	Tambjamine A; 1''-N-Et 	C12H15N3O	217.121512	NA	MeJP	NA	NA
+CJpos0567	Propionylcarnitine [(M+H)]+	C10H20NO4	217.130875	C18rt(min)=3.34 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0568	Propionylcarnitine isomer [(M+H)]+	C10H20NO4	217.130875	C18rt(min)=4.65 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0567	Propionylcarnitine [(M+H)]+	C10H20NO4	217.130875	C18rt(min)=3.34 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0568	Propionylcarnitine isomer [(M+H)]+	C10H20NO4	217.130875	C18rt(min)=4.65 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+3174	dipeptidyl-aminopeptidase IV inhibitor	KA	217.131	celiac toxic	Inhouse_peptide	NA	peptide
+7743	ACE inhibitor	KA	217.131	antioxidative	Inhouse_peptide	NA	peptide
+C03017	O-Propanoylcarnitine	C10H19NO4	217.1314	NA	KEGG	NA	NA
+C03018	Oligoglycosylglucose	OH	217.1314	NA	KEGG	NA	NA
+MJ009109	4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose; ?-D-Pyranose-form, Me glycoside, N-Ac 	C10H19NO4	217.131408	NA	MeJP	NA	NA
+MJ009110	4-Amino-2,4,6-trideoxy-3-O-methyl-xylo-hexose; ?-D-Pyranose-form, Me glycoside, N-Ac 	C10H19NO4	217.131408	NA	MeJP	NA	NA
+MJ009111	Carnitine, O-Propanoyl 	C10H20NO4(+)	217.131408	NA	MeJP	NA	NA
+HMDB00824	Propionylcarnitine	C10H19NO4	217.131409	NA	HMDB2010	NA	NA
+HMDB00824	Propionylcarnitine	C10H19NO4	217.13141	http://www.hmdb.ca/metabolites/HMDB00824	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00824	Propionylcarnitine	C10H19NO4	217.13141	http://www.hmdb.ca/metabolites/HMDB00824	HMDB	NA	NA
+HMDB00824	Propionylcarnitine	C10H19NO4	217.13141	NA  ;SYN:L-b-Aminoisobutyric acid; L-3-Amino-2-methylpropionic acid; L-3-Amino-2-methylpropanoic acid; L-2-methyl-b-Alanine; (S)-b-Aminoisobutyric acid; (S)-3-amino-2-methyl-Propanoic acid; (+)-b-Aminoisobutyric acid; (+)-a-Methyl-b-alanine; S-b-aminoisobutyrate; S-beta-aminoisobutyrate; S-beta-aminoisobutyric acid; L-beta-Aminoisobutyric acid; L-2-methyl-beta-Alanine; (S)-beta-Aminoisobutyric acid; (+)-beta-Aminoisobutyric acid; (+)-alpha-Methyl-beta-alanine; L-beta-aminoisobutyrate; L-b-aminoisobutyrate; L-3-Amino-isobutanoate; (S)-3-Amino-isobutyrate; L-3-Amino-isobutyrate; (S)-3-Amino-isobutanoate; (S)-3-Amino-2-methylpropanoate; L-3-Amino-isobutanoic acid; (S)-3-Amino-isobutyric acid; L-3-Amino-isobutyric acid; (S)-3-Amino-isobutanoic acid; (S)-3-Amino-2-methylpropanoic acid; L-3-Amino-2-methylpropanoate; (S)-3-amino-2-methyl-PropanoateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00824	Propionylcarnitine	C10H19NO4	217.13141	http://www.hmdb.ca/metabolites/HMDB00824	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00824	Propionylcarnitine	C10H19NO4	217.13141	HMDB00824	PFEM_hmdb_metabocards_official	NA	NA
+MJ009112	Zindotrine 	C11H15N5	217.132745	NA	MeJP	NA	NA
+C05341	beta-Alanyl-L-lysine	C9H19N3O3	217.1426	NA	KEGG	NA	NA
+C15699	gamma-L-Glutamylputrescine	C9H19N3O3	217.1426	NA	KEGG	NA	NA
+HMDB12230	Gamma-glutamyl-L-putrescine	C9H19N3O3	217.142639	NA	HMDB2010	NA	NA
+MJ009113	beta-Alanyl-L-lysine 	C9H19N3O3	217.142641	NA	MeJP	NA	NA
+PJ000049	AK 	C9H19N3O3	217.1427	NA	PeJP	NA	NA
+MJ009114	2-Decene-6,8-diynoic acid, 2-Methylpropamide 	C14H19NO	217.146664	NA	MeJP	NA	NA
+MJ009115	Sedamine, 2'-Ketone 	C14H19NO	217.146664	NA	MeJP	NA	NA
+MJ009116	Thalebanin B 	C14H19NO	217.146664	NA	MeJP	NA	NA
+C14323	Butylate	C11H23NOS	217.15	NA	KEGG	NA	NA
+HMDB11150	Deoxyhypusine	C10H23N3O2	217.179031	NA	HMDB2010	NA	NA
+MJ009117	1-Methyl-4-(2-penten-4-ynyl)quinolizidine 	C15H23N	217.183049	NA	MeJP	NA	NA
+MJ009118	2-Pentylquinoline; 1,2,3,4-Tetrahydro, N-Me 	C15H23N	217.183049	NA	MeJP	NA	NA
+MJ009119	Porantherine 	C15H23N	217.183049	NA	MeJP	NA	NA
+MJ009120	Prolintane 	C15H23N	217.183049	NA	MeJP	NA	NA
+MJ009121	1-Chloro-3-iodo-2-propanone 	C3H4ClIO	217.899535	NA	MeJP	NA	NA
+MJ009122	Delta-3,4,5,6-tetrachlorocyclohexene 	C6H6Cl4	217.922361	NA	MeJP	NA	NA
+C06989	delta-3,4,5,6-Tetrachlorocyclohexene	C6H6Cl4	217.9224	NA	KEGG	NA	NA
+MJ009123	Bis[(methylthio)methyl] disulfide; 2,2-Dioxide 	C4H10O2S4	217.956362	NA	MeJP	NA	NA
+MJ009124	Bis[(methylthio)methyl] disulfide; 4,4-Dioxide 	C4H10O2S4	217.956362	NA	MeJP	NA	NA
+MJ009125	3-Bromo-4,5-dihydroxybenzyl alcohol 	C7H7BrO3	217.957856	NA	MeJP	NA	NA
+MJ009126	Mercury(II) oxide (HgO) 	HgO	217.96554	NA	MeJP	NA	NA
+MJ009127	5-(2-Thienylethynyl)-2-thiophenemethanol; Aldehyde 	C11H6OS2	217.986006	NA	MeJP	NA	NA
+C16199	5-Sulfosalicylate	C7H6O6S	217.9885	NA	KEGG	NA	NA
+MJ009128	2-Hydroxy-5-sulfobenzoic acid 	C7H6O6S	217.988508	NA	MeJP	NA	NA
+MJ009129	Salicylsulfuric acid 	C7H6O6S	217.988508	NA	MeJP	NA	NA
+HMDB11725	5-Sulfosalicylic acid	C7H6O6S	217.98851	NA	HMDB2010	NA	NA
+CJneg0393	5-Sulfosalicylic acid [(M-H)]-	C7H5O6S	217.989025	C18rt(min)=5.28 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0394	Sulfosalicylic acid isomer [(M-H)]-	C7H5O6S	217.989025	C18rt(min)=4.8 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0393	5-Sulfosalicylic acid [(M-H)]-	C7H5O6S	217.989025	C18rt(min)=5.28 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0394	Sulfosalicylic acid isomer [(M-H)]-	C7H5O6S	217.989025	C18rt(min)=4.8 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009130	2-(Phosphonooxy)benzoic acid 	C7H7O6P	217.998024	NA	MeJP	NA	NA
+C15237	8-Hydroxy-2-chlorodibenzofuran	C12H7ClO2	218.0135	NA	KEGG	NA	NA
+C15241	8-Hydroxy-3-chlorodibenzofuran	C12H7ClO2	218.0135	NA	KEGG	NA	NA
+CJpos0569	Hexose [(M+K)]+	C6H12KO6	218.018675	C18rt(min)=0.92 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0569	Hexose [(M+K)]+	C6H12KO6	218.018675	C18rt(min)=0.92 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C14569	4,4'-Biphenyldithiol	C12H10S2	218.0224	NA	KEGG	NA	NA
+MJ009131	Allantoin, Dihydroxyaluminium compd. 	C4H7AlN4O5	218.023182	NA	MeJP	NA	NA
+MJ009132	3-(5-Oxazolyl)-1H-indole; 4'-Chloro 	C11H7ClN2O	218.02469	NA	MeJP	NA	NA
+CJneg0395	Hydroxyphenyllactic acid [(M+Cl)]-	C9H10ClO4	218.035125	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0395	Hydroxyphenyllactic acid [(M+Cl)]-	C9H10ClO4	218.035125	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0396	Hexose [(M+Cl)]- (37Cl)	C6H12Cl037ClO6	218.037625	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0396	Hexose [(M+Cl)]- (37Cl)	C6H12Cl037ClO6	218.037625	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJpos0570	p-Hydroxyhippuric acid [(M+Na)]+ (13C)	C813CH9NNaO4	218.037875	C18rt(min)=4.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0570	p-Hydroxyhippuric acid [(M+Na)]+ (13C)	C813CH9NNaO4	218.037875	C18rt(min)=4.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0571	Gluconic acid (and isomers) [(M+Na)]+	C6H12NaO7	218.039675	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0571	Gluconic acid (and isomers) [(M+Na)]+	C6H12NaO7	218.039675	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc02011	cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene []	C12H10O2S1	218.04015	NA	metacyc	NA	NA
+C06721	cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	C12H10O2S	218.0402	NA	KEGG	NA	NA
+C14672	p-Chlorobenzhydrol	C13H11ClO	218.0498	NA	KEGG	NA	NA
+C15393	2-Chlorobenzhydrol	C13H11ClO	218.0498	NA	KEGG	NA	NA
+MJ009133	1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol 	C13H11ClO	218.049842	NA	MeJP	NA	NA
+MJ009134	2-Benzyl-4-chlorophenol 	C13H11ClO	218.049842	NA	MeJP	NA	NA
+MJ009135	2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol 	C13H11ClO	218.049842	NA	MeJP	NA	NA
+MJ009136	2-Chloromethyl-2,5-dihydro-5-(2,4,6-octatriynylidene)furan, 6',7'-E-Dihydro 	C13H11ClO	218.049842	NA	MeJP	NA	NA
+MJ009137	4-Benzyl-2-chlorophenol 	C13H11ClO	218.049842	NA	MeJP	NA	NA
+MJ009138	3-(Isothiocyanatomethyl)-1-methoxy-1H-indole 	C11H10N2OS	218.051383	NA	MeJP	NA	NA
+MJ009139	Bentiuracil 	C11H10N2OS	218.051383	NA	MeJP	NA	NA
+MJ009140	Hydantocidin 	C7H10N2O6	218.053886	NA	MeJP	NA	NA
+JH131	Hydroferulic acid [M+Na]+	NA	218.0555	12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH131	Hydroferulic acid [M+Na]+	NA	218.0555	12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH131	Hydroferulic acid [M+Na]+	NA	218.0555	12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH131	Hydroferulic acid [M+Na]+	NA	218.0555	12.75	Inhousejuil11	NA	NA
+CJneg0397	Mannitol (and isomers) [(M+Cl)]-	C6H14ClO6	218.056225	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0397	Mannitol (and isomers) [(M+Cl)]-	C6H14ClO6	218.056225	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C01273	2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate	C12H10O4	218.0579	NA	KEGG	NA	NA
+C03837	4-Methylumbelliferyl acetate	C12H10O4	218.0579	NA	KEGG	NA	NA
+C07733	2,2',3-Trihydroxydiphenylether	C12H10O4	218.0579	NA	KEGG	NA	NA
+C10300	Aristolindiquinone	C12H10O4	218.0579	NA	KEGG	NA	NA
+C16811	Baldrinal	C12H10O4	218.0579	NA	KEGG	NA	NA
+MJ009141	2,2',3-Trihydroxydiphenylether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009142	2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009143	1,4-Dihydroxy-2-naphthalenecarboxylic acid; 4-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009144	1,4-Dihydroxy-2-naphthalenecarboxylic acid; Me ester 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009145	2,3',4,4'-Biphenyltetrol 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009146	2,3-Dihydroxy-1,4-naphthoquinone; Di-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009147	2,5-Diacetyl-6-hydroxybenzofuran 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009148	2,5-Dihydroxy-3,8-dimethyl-1,4-naphthoquinone 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009149	2,5-Dihydroxy-7-methyl-1,4-naphthoquinone; 2-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009150	2,8-Decadiene-4,6-diynedioic acid, Di-Me ester 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009151	2,8-Dihydroxy-6-methyl-1,4-naphthoquinone; 2-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009152	3,5-Dihydroxy-2-methyl-1,4-naphthoquinone; 5-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009153	4,5-Dihydro-5-methyl-4-oxo-5-phenyl-2-furancarboxylic acid 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009154	4,5-Dihydroxy-2-naphthalenecarboxylic acid; 4-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009155	4,5-Dihydroxy-2-naphthalenecarboxylic acid; 5-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009156	5,6-Dihydroxy-2-methyl-1,4-naphthoquinone; 5-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009157	5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(2-Propenyl) 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009158	5,8-Dihydroxy-2,7-dimethyl-1,4-naphthoquinone 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009159	5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoic acid 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009160	6,8-Dihydroxy-5-methyl-1,4-naphthoquinone; 6-Me ether 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009161	6-Acetyl-5-hydroxy-4-methyl-2H-1-benzopyran-2-one 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009162	6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009163	7-Hydroxy-4-methyl-2H-1-benzopyran-2-one; Ac 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009164	Kiyomal 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MJ009165	Viburtinal; 11-Acetoxy 	C12H10O4	218.057908	NA	MeJP	NA	NA
+MetaCyc02012	2-hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate [HOHPDA;2-hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoic acid;]	C12H10O4	218.057909	NA	metacyc	NA	NA
+MetaCyc02013	4,4a-dihydroxy-dihydro-dibenzo-p-dioxin []	C12H10O4	218.057909	NA	metacyc	NA	NA
+MetaCyc02014	2,2',3-trihydroxydiphenyl-ether [2,2',3-THD-ether;]	C12H10O4	218.057909	NA	metacyc	NA	NA
+MetaCyc02015	2,6-dioxo-6-phenylhexa-3-enoate [2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate;]	C12H10O4	218.057909	NA	metacyc	NA	NA
+MetaCyc02016	4-methylumbelliferyl acetate []	C12H10O4	218.057909	05/09/2747	metacyc	NA	NA
+MJ009166	Metallibure 	C7H14N4S2	218.065987	NA	MeJP	NA	NA
+MJ009167	2-(4-Hydroxy-3-methoxybenzoyl)imidazole 	C11H10N2O3	218.069142	NA	MeJP	NA	NA
+MJ009168	5-Methyl-5-phenylbarbituric acid 	C11H10N2O3	218.069142	NA	MeJP	NA	NA
+MJ009169	Mimosamycin; 7-Demethoxy, 7-amino 	C11H10N2O3	218.069142	NA	MeJP	NA	NA
+MJ009170	Vasicinone, 7-Hydroxy 	C11H10N2O3	218.069142	NA	MeJP	NA	NA
+MJ009171	Vasicinone, N4-Oxide 	C11H10N2O3	218.069142	NA	MeJP	NA	NA
+PJ000050	PC 	C8H14N2O3S	218.0725	NA	PeJP	NA	NA
+C14519	1-Hydroxypyrene	C16H10O	218.0732	NA	KEGG	NA	NA
+MJ009172	9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol 	C13H14OS	218.076535	NA	MeJP	NA	NA
+MJ009173	9-(2-Thienyl)-6-nonen-8-yn-3-one 	C13H14OS	218.076535	NA	MeJP	NA	NA
+7623	ACE inhibitor	EA	218.079	antioxidative	Inhouse_peptide	NA	peptide
+MJ009174	3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxylic acid, 6-Me ether, Me ester 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009175	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1'-Ac 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009176	Aldgarose 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009177	Altenin 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009178	Glycerol triacetate 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009179	Riburonic acid; ?-D-Furanose-form, 2,3-O-Isopropylidene, Me ester 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009180	Riburonic acid; ?-D-Furanose-form, Me glycoside, 2,3-O-isopropylidene 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009181	Riburonic acid; ?-D-Furanose-form, 1,2-O-Isopropylidene, Me ester 	C9H14O6	218.079038	NA	MeJP	NA	NA
+MJ009182	10H-Indolo[3,2-b]quinoline 	C15H10N2	218.084398	NA	MeJP	NA	NA
+MJ009183	Indolo[2,3-a]quinolizine 	C15H10N2	218.084398	NA	MeJP	NA	NA
+HMDB03764	Glutamylalanine	C8H14N2O5	218.09027	http://www.hmdb.ca/metabolites/HMDB03764	HMDB	NA	NA
+HMDB06248	5-L-Glutamyl-L-alanine	C8H14N2O5	218.09027	http://www.hmdb.ca/metabolites/HMDB06248	HMDB	NA	NA
+HMDB03764	Glutamylalanine	C8H14N2O5	218.09027	HMDB03764	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06248	5-L-Glutamyl-L-alanine	C8H14N2O5	218.09027	HMDB06248	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03764	Glutamylalanine	C8H14N2O5	218.090271	NA	HMDB2010	NA	NA
+HMDB06248	5-L-Glutamyl-L-alanine	C8H14N2O5	218.090271	NA	HMDB2010	NA	NA
+MJ009184	6-Amino-4,5-dihydroxy-3-piperidinecarboxylic acid, N-Ac 	C8H14N2O5	218.090271	NA	MeJP	NA	NA
+MJ009185	Heliopine 	C8H14N2O5	218.090271	NA	MeJP	NA	NA
+MJ009186	N-?-Glutamyl-?-alanine 	C8H14N2O5	218.090271	NA	MeJP	NA	NA
+MJ009187	N-?-Glutamylalanine 	C8H14N2O5	218.090271	NA	MeJP	NA	NA
+MJ009188	?-Glutamylalanine; L-D-form 	C8H14N2O5	218.090271	NA	MeJP	NA	NA
+MetaCyc02017	L-Ala-&gamma;-D-Glu []	C8H14N2O5	218.090272	NA	metacyc	NA	NA
+MetaCyc02018	&gamma;-L-glutamyl-D-alanine []	C8H14N2O5	218.090272	NA	metacyc	NA	NA
+C03738	gamma-L-Glutamyl-D-alanine	C8H14N2O5	218.0903	NA	KEGG	NA	NA
+PJ000051	AE 	C8H14N2O5	218.0903	NA	PeJP	NA	NA
+MJ009189	(5,7,8,9-Tetrahydro-5-hydroxy-6H-benzocyclohepten-6-ylidene)acetic acid 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009190	1,2,3-Naphthalenetriol; Tri-Me ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009191	1,2,4-Naphthalenetriol; Tri-Me ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009192	1,3,6-Naphthalenetriol; Tri-Me ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009193	1-(2,4-Dihydroxy-3-methylphenyl)-2,4-hexadien-1-one 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009194	1-Butylidene-8-hydroxy-1H-2-benzopyran-4-one 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009195	2,2-Dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ester 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009196	2,3-Dihydro-2-(1,3-pentadienyl)-5,7-benzofurandiol 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009197	2,3-Dihydro-4,6-dihydroxy-2-(1,3-pentadienyl)benzofuran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009198	2-Methyl-1,4,5-naphthalenetriol; 1,5-Di-Me ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009199	3-Hydroxy-7-phenyl-4,6-heptadienic acid 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009200	5,6-Dimethoxy-2-(1-methylethenyl)benzofuran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009201	5,7-Dimethoxy-2-(1-methylethenyl)benzofuran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009202	5-(1-Hydroxyethyl)-2-(1-methylethylidene)-3(2H)-benzofuranone 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009203	5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009204	5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009205	5-Acetyl-2-hydroxybenzaldehyde; O-(2-Methyl-1-propenyl) 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009206	6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009207	6-Acetyl-2,3-dihydro-2,2-dimethyl-4H-1-benzopyran-4-one 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009208	6-Acetyl-5-hydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009209	6-Acetyl-7-hydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009210	6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009211	6-Hydroxy-7,8-tridecadiene-10,12-diynoic acid 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009212	6-Hydroxytremetone 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009213	6-Methyl-1,2,8-naphthalenetriol; 1,8-Di-Me ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009214	7-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009215	7-Hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one; Et ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009216	7-Hydroxy-4-isopropyl-6-methylcoumarin 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009217	Artemisenol 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009218	Artemispermal 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009219	Bitalin A 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009220	Frustulosin; 1'-Alcohol, 6-Me ether 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009221	Toxol 	C13H14O3	218.094294	NA	MeJP	NA	NA
+MJ009222	Tremetone, 4-Hydroxy 	C13H14O3	218.094294	NA	MeJP	NA	NA
+C08744	6-Hydroxytremetone	C13H14O3	218.0943	NA	KEGG	NA	NA
+C08979	Toxol	C13H14O3	218.0943	NA	KEGG	NA	NA
+C09006	Eupatoriochromene	C13H14O3	218.0943	NA	KEGG	NA	NA
+C17228	2-Oxo-9-methylthiononanoic acid	C10H18O3S	218.0977	NA	KEGG	NA	NA
+MJ009223	Lividine 	C7H14N4O4	218.101504	NA	MeJP	NA	NA
+MetaCyc02019	trans-zeatin [zeatin;cytokinin;(2E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol;t-zeatin;]	C10H12N5O1	218.104185	NA	metacyc	NA	NA
+CJpos0572	Phenylacetylglutamine [(M+H)-(HCOOH)]+	C12H15N2O2	218.104975	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0572	Phenylacetylglutamine [(M+H)-(HCOOH)]+	C12H15N2O2	218.104975	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00978	N-Acetylserotonin	C12H14N2O2	218.1055	NA	KEGG	NA	NA
+C02983	Abrine	C12H14N2O2	218.1055	NA	KEGG	NA	NA
+C02984	L-Aspartyl-tRNA(Asp)	C14H22NO13PR2	218.1055	NA	KEGG	NA	NA
+C07371	Primidone	C12H14N2O2	218.1055	NA	KEGG	NA	NA
+C16831	L-2-Methyltryptophan	C12H14N2O2	218.1055	NA	KEGG	NA	NA
+C16832	Protein N6-(dihydrolipoyl)lysine	C8H16NOS2R	218.1055	NA	KEGG	NA	NA
+MJ009224	N-Acetylserotonin 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009225	1H-Benzimidazole-2-propanoic acid; Et ester 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009226	2-Amino-3-(3-amino-1H-inden-2-yl)propanoic acid 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009227	2-Amino-3-(3-indolyl)butanoic acid 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009228	3-Benzyl-6-methyl-2,5-piperazinedione 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009229	3-Ethyl-3-phenyl-2,6-piperazinedione 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009230	4-Ethyl-6,7-dimethoxyquinazoline 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009231	5-Hydroxytryptamine; Nb-Ac 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009232	?-Methyltryptophan 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009233	Cytisine, N-Formyl 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009234	Mephenytoin 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009235	Metetoin 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009236	N-Methyltryptophan 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009237	PD 125375 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009238	Peganine, 5-Methoxy 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009239	Primidone 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MJ009240	Rogletimide 	C12H14N2O2	218.105527	NA	MeJP	NA	NA
+MetaCyc02020	N-acetyl-serotonin [N-acetyl-5-hydroxytryptamine;]	C12H14N2O2	218.105528	1210-83-9	metacyc	NA	NA
+MetaCyc02021	L-2-Methyltryptophan [Abrine;L-Abrine;]	C12H14N2O2	218.105528	526-31-8	metacyc	NA	NA
+MetaCyc02022	N-methyltryptophan []	C12H14N2O2	218.105528	526-31-8	metacyc	NA	NA
+HMDB01238	N-Acetylserotonin	C12H14N2O2	218.10553	http://www.hmdb.ca/metabolites/HMDB01238	HMDB	NA	NA
+HMDB01238	N-Acetylserotonin	C12H14N2O2	218.10553	HMDB01238	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01238	N-Acetylserotonin	C12H14N2O2	218.10553	NA	HMDB2010	NA	NA
+MJ009241	3-Chloromethyl-7-methyl-2,7-octadiene-1,6-diol; 1-Me ether 	C11H19ClO2	218.107357	NA	MeJP	NA	NA
+MJ009242	3-Chloromethyl-7-methyl-2,7-octadiene-1,6-diol; 6-Me ether 	C11H19ClO2	218.107357	NA	MeJP	NA	NA
+HMDB00350	3-Hydroxysebacic acid	C10H18O5	218.115417	NA	HMDB2010	NA	NA
+HMDB00424	2-Hydroxydecanedioic acid	C10H18O5	218.115417	NA	HMDB2010	NA	NA
+HMDB00350	3-Hydroxysebacic acid	C10H18O5	218.11542	http://www.hmdb.ca/metabolites/HMDB00350	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00350	3-Hydroxysebacic acid	C10H18O5	218.11542	http://www.hmdb.ca/metabolites/HMDB00350	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00350	3-Hydroxysebacic acid	C10H18O5	218.11542	http://www.hmdb.ca/metabolites/HMDB00350	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00350	3-Hydroxysebacic acid	C10H18O5	218.11542	http://www.hmdb.ca/metabolites/HMDB00350	HMDB	NA	NA
+HMDB00424	2-Hydroxydecanedioic acid	C10H18O5	218.11542	http://www.hmdb.ca/metabolites/HMDB00424	HMDB	NA	NA
+HMDB00350	3-Hydroxysebacic acid	C10H18O5	218.11542	HMDB00350	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00424	2-Hydroxydecanedioic acid	C10H18O5	218.11542	HMDB00424	PFEM_hmdb_metabocards_official	NA	NA
+MJ009243	2,6-Dideoxy-3-C-methyl-xylo-hexose, 3-Me, 4-Ac 	C10H18O5	218.115423	NA	MeJP	NA	NA
+MJ009244	Idralfidine 	C11H14N4O	218.116761	NA	MeJP	NA	NA
+MJ009245	Lysopine 	C9H18N2O4	218.126657	NA	MeJP	NA	NA
+MJ009246	Meprobamate 	C9H18N2O4	218.126657	NA	MeJP	NA	NA
+MJ009247	N2-(D-1-Carboxyethyl)-L-lysine 	C9H18N2O4	218.126657	NA	MeJP	NA	NA
+MetaCyc02023	N2-(D-1-Carboxyethyl)-L-lysine [D-Lysopine;]	C9H18N2O4	218.126657	NA	metacyc	NA	NA
+C04020	N2-(D-1-Carboxyethyl)-L-lysine	C9H18N2O4	218.1267	NA	KEGG	NA	NA
+C04021	Phosphatidylinositol phosphate	C11H18O16P2R2	218.1267	NA	KEGG	NA	NA
+PJ000052	SL 	C9H18N2O4	218.1267	NA	PeJP	NA	NA
+MJ009248	2,9-Tetradecadiene-4,6-diyne-1,14-diol 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009249	2-Decene-4,6-diyn-1-ol, 2-Methylpropanoyl 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009250	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl) 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009251	4,6-Tetradecadiene-8,10-diyne-1,12-diol 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009252	4-(1-Propenyl)phenol, 2-Methylbutanoyl 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009253	4-(1-Propenyl)phenol, 3-Methylbutanoyl 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009254	4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone; Me ether 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009255	5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol; 1-Oxo 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009256	5,7,9,11,13-Tetradecapentaenoic acid 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009257	5,7-Dihydroxy[indan-1-spirocyclohexane] 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009258	7-Oxo-14-nor-4-isocedren-15-al 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009259	9-(Tetrahydro-2H-pyran-2-yl)-1,8-nonadiene-4,6-diyn-3-ol, 8',9'-Dihydro 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009260	Chamaecynone; 4-Epimer, 4?-hydroxy 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009261	Chromoarnottione 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009262	Isopterosin C, 1-Deoxy 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009263	Majusculone 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009264	Noroxopenlanfuran 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009265	Norpinguisone 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009266	Pterosin B 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MJ009267	Ternitin 	C14H18O2	218.130679	NA	MeJP	NA	NA
+MetaCyc02024	acetylcarnitine [1-propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt;]	C10H20N1O4	218.139233	14992-62-2	metacyc	NA	NA
+C08309	N,N-Dimethyl-5-methoxytryptamine	C13H18N2O	218.1419	NA	KEGG	NA	NA
+HMDB02004	5-Methoxydimethyltryptamine	C13H18N2O	218.141907	NA	HMDB2010	NA	NA
+HMDB02004	5-Methoxydimethyltryptamine	C13H18N2O	218.14191	http://www.hmdb.ca/metabolites/HMDB02004	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02004	5-Methoxydimethyltryptamine	C13H18N2O	218.14191	http://www.hmdb.ca/metabolites/HMDB02004	HMDB	NA	NA
+HMDB02004	5-Methoxydimethyltryptamine	C13H18N2O	218.14191	http://www.hmdb.ca/metabolites/HMDB02004	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02004	5-Methoxydimethyltryptamine	C13H18N2O	218.14191	HMDB02004	PFEM_hmdb_metabocards_official	NA	NA
+MJ009268	Bufotenine; Me ether 	C13H18N2O	218.141913	NA	MeJP	NA	NA
+MJ009269	Bufotenine; Nb-Me, inner salt 	C13H18N2O	218.141913	NA	MeJP	NA	NA
+MJ009270	Cytisine, N-Et 	C13H18N2O	218.141913	NA	MeJP	NA	NA
+MJ009271	Fenoxazoline 	C13H18N2O	218.141913	NA	MeJP	NA	NA
+MJ009272	Lespedamine 	C13H18N2O	218.141913	NA	MeJP	NA	NA
+MJ009273	1(10),11-Chiloscyphadien-7-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009274	1(10),11-Eremophiladien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009275	1(10),11-Eremophiladien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009276	1(10),11-Eremophiladien-9-ol, Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009277	1(10),11-Guaiadien-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009278	1(10),11-Guaiadien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009279	1(10),11-Spirovetivadien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009280	1(10),11-Spirovetivadiene, 14-Oxo 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009281	1(10),4,7(11)-Germacratrien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009282	1(10),4-Cadinadien-9-ol; 9?-form, Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009283	1(10),4-Lepidozadien-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009284	1(10),6-Eremophiladien-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009285	1(10),7(11)-Eremophiladien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009286	1(10),7(11)-Spirovetivadien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009287	1(10)-Aristolen-13-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009288	1(10)-Aristolen-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009289	1(10)-Aristolen-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009290	1(10)-Aromadendren-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009291	1(5),11-Guaiadien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009292	1(5),7(11)-Guaiadien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009293	1(6)-Lippifolien-2-one; 3?-form 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009294	1,10-Epoxy-7,11-nardosinadiene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009295	1,11-Epoxy-1,3,5-bisabolatriene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009296	1,11-Epoxy-4,9-bulgaradiene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009297	1,11-Eremophiladien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009298	1,2,8,8a-Tetrahydro-1-isopropyl-4,6-dimethyl-2-naphthol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009299	1,3(15),10-Bisabolatrien-9-ol; Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009300	1,3(15),10-Bisabolatriene; 12-Oxo 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009301	1,3(15),6,10-Farnesatetraen-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009302	1,3(15),6-Humulatrien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009303	1,3,10-Bisabolatrien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009304	1,3,11(13)-Elematrien-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009305	1,3,5,10-Bisabolapentaen-9-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009306	1,3,5,10-Bisabolatetraen-1-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009307	1,3,5,10-Bisabolatetraen-12-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009308	1,3,5,10-Bisabolatetraen-2-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009309	1,3,5,10-Bisabolatetraen-7-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009310	1,3,5,11-Bisabolatetraen-10-one; 11,12-Dihydro 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009311	1,3,5,7(14),10-Farnesapentaen-12-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009312	1,3,5-Herbertatriene, 1-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009313	1,3,5-Herbertatriene, 3-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009314	1,3,5-Himachalatrien-5-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009315	1,3,6,10-Farnesatetraen-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009316	1,3,7(11)-Elematrien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009317	1,4(15),11-Elematrien-3-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009318	1,4(15),5,10(14)-Germacratetraen-9-one, 10S,14-Dihydro 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009319	1,7-Cyclo-1(10),4-germacradien-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009320	1,8-Epoxy-2,6-himachaladiene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009321	1,9-Cadinadien-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009322	1-Ishwaranol; 1?-form, Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009323	1-Isopropyl-6,8-dimethyltricyclo[5.3.0.03,8]dec-5-en-4-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009324	10-Calamenenol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009325	10-Epi-?-valerenol; 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009326	13-Bicyclogermacrenal 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009327	2,11-Cyclo-13-isocomanol; 13-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009328	2,5,10-Bisabolatrien-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009329	2,5,10-Bisabolatrien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009330	2,6,9-Humulatrien-14-ol; 14-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009331	2,6,9-Humulatrien-8-ol, Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009332	2,7(14),10-Bisabolatrien-15-ol; 15-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009333	2,7(14),10-Bisabolatrien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009334	2,7(14)-Chamigradien-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009335	2,7,10-Bisabolatrien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009336	2-(2,6-Dimethyl-5,7-octadienyl)-4-methylfuran 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009337	2-Isocomen-13-ol; 13-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009338	2-Isocomen-14-ol; 14-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009339	2-Isocomen-5-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009340	3(15),7-Caryophylladien-6-ol, 6-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009341	3(15)-Cedren-8-ol, 8-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009342	3(15)-Cedren-9-ol, 9-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009343	3(15)-Gymnomitren-1-ol, 1-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009344	3(15)-Gymnomitren-12-ol; 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009345	3(15)-Gymnomitren-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009346	3(15)-Longipinen-4-ol; 4-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009347	3,10(14)-Acoradien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009348	3,11(13)-Eudesmadien-12-ol; 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009349	3,11-Acoradien-15-ol; 15-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009350	3,11-Eudesmadien-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009351	3,11-Eudesmadien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009352	3,11-Eudesmadien-9-ol, 9-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009353	3,7(11)-Eudesmadien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009354	3,7(14),10-Bisabolatrien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009355	3-Cedren-15-ol, Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009356	3-Copaen-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009357	3-Copaen-8-ol; 8?-form, 8-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009358	3-Gymnomitren-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009359	3-Ishwaranone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009360	3-Longipinen-5-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009361	3-Methyl-5-(2,3,6-trimethoxyphenyl)-1-penten-3-ol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009362	3-Silphinenone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009363	3-Thujopsen-5-one; ent-form 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009364	4(15),11(13)-Eudesmadien-12-ol, 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009365	4(15),11-Amorphadien-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009366	4(15),11-Eudesmadien-1-ol, 1-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009367	4(15),11-Eudesmadien-8-one; ent-form 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009368	4(15),5,10(14)-Germacratrien-1-ol, 1-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009369	4(15),7(11)-Eudesmadien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009370	4(15),7(11)-Oppositadien-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009371	4(15),7(11)-Valerenadien-12-ol, 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009372	4,10(14),11-Germacratrien-1-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009373	4,10(14)-Cadinadien-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009374	4,10(14)-Oplopadien-3-ol; 3-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009375	4,11(13)-Eudesmadien-12-ol; 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009376	4,11,11-Trimethyltricyclo[6.3.1.02,5]dodec-7-en-6-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009377	4,11-Cadinadien-15-ol, 15-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009378	4,11-Eudesmadien-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009379	4,11-Eudesmadien-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009380	4,11-Guaiadien-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009381	4,6(8)-Porosadien-7-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009382	4,6-Dumortadien-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009383	4,6-Eudesmadien-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009384	4,7(11)-Acoradien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009385	4,7(11)-Amorphadien-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009386	4,7(11)-Eudesmadien-8-ol, 8-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009387	4,7(11)-Guaiadien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009388	4,7(11)-Valerenadien-12-ol, 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009389	4,7-Epoxy-2,11-spirovetivadiene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009390	4,8-Daucadien-14-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009391	4,9-Muuroladien-14-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009392	4,9-Muuroladien-15-ol; 15-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009393	4-Aromadendren-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009394	4-Chloro-3,7-chamigradien-9-one; Dechloro 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009395	4-Isocedren-15-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009396	4-Methyl-2-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)furan 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009397	4-Patchoulen-15-ol; 15-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009398	4-Patchoulen-3-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009399	4-Patchoulen-6-ol, Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009400	5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol; Me ether 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009401	5,8-Daucadien-14-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009402	5,8-Epoxy-3,7(11)-amorphadiene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009403	5-Africanen-4-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009404	5-Silphiperfolen-3-ol, 3-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009405	5-Zizaen-4-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009406	6(13)-Zizaen-12-ol; 2?H-form, 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009407	6(13)-Zizaen-12-ol; 2àH-form, 12-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009408	6,11-Epoxy-5,10-pinguisadien-3-one; Deoxo 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009409	6,8,10,12-Pentadecatetraenal 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009410	6-Silphiperfolen-5-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009411	7(14),9-Chamigradien-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009412	7,10-Epoxy-1,11-eremophiladiene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009413	8,11-Daucadien-14-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009414	8,13-Pentadecadien-11-yn-2-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009415	8-Hydroxy-1(10),4-cadinadien-3-one; Deoxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009416	9,11-Eremophiladien-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009417	9-Aristolen-12-al 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009418	9-Aristolen-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009419	9-Hydroxy-3(15),6-caryophylladien-8-one, 9-Deoxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009420	9-Isocapnellen-8-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009421	?-Cuparenone, 9?-Alcohol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009422	?-Santala-3(15),10-dien-12-ol, Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009423	Caespitenene 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009424	Calamenene, 3-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009425	Calamenene, 5-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009426	Calamenene, 2-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009427	Calamenene, 3-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009428	Calamenene, 15-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009429	Calamenene, 3-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009430	Cuparene, 1-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009431	Cuparene, 15-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009432	Cuparene, 1-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009433	Cuparene, 2-Hydroxy 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009434	Dendrolasin 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009435	Elvirol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009436	Euryfuran 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009437	Furanoeremophilane 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009438	Germazone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009439	Grimaldone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009440	Isobicyclogermacrenal 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009441	Isoishwarone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009442	Isooccidol 1 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009443	Isooccidol 2 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009444	Laurene; 15-Hydroxy, 8,11-dihydro 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009445	Microcionin 1 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009446	Microcionin 2 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009447	Microcionin 3 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009448	Myliol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009449	Nudenoic acid; 13-Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009450	Occidol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009451	Pallescensin A 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009452	Penlanpallescensin 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009453	Perforenone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009454	Saccogynol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009455	Sesquirosefuran 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009456	Sesquisabinene; 12-Oxo 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009457	Solanascone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009458	Suberosenone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009459	Taylorione 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009460	Vitrenal 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009461	Vulgarone A 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009462	Zierone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009463	?-Cuparenone, 1,4-Dihydro 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009464	?-Cuparenone, 10R-Alcohol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009465	?-Cuparenone, 10S-Alcohol 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009466	?-Santal-10-en-12-ol, Aldehyde 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009467	?-Santal-10-en-9-one 	C15H22O	218.167065	NA	MeJP	NA	NA
+MJ009468	?-Santal-11-en-10-ol; 10-Ketone 	C15H22O	218.167065	NA	MeJP	NA	NA
+MetaCyc02025	solavetivone []	C15H22O1	218.167065	NA	metacyc	NA	NA
+MetaCyc02026	artemisinic aldehyde []	C15H22O1	218.167065	NA	metacyc	NA	NA
+C09729	alpha-Sinensal	C15H22O	218.1671	NA	KEGG	NA	NA
+C09730	beta-Sinensal	C15H22O	218.1671	NA	KEGG	NA	NA
+C09737	Solavetivone	C15H22O	218.1671	NA	KEGG	NA	NA
+C09744	alpha-Vetivone	C15H22O	218.1671	NA	KEGG	NA	NA
+C09745	beta-Vetivone	C15H22O	218.1671	NA	KEGG	NA	NA
+C09938	(+)-8-Hydroxycalamenene	C15H22O	218.1671	NA	KEGG	NA	NA
+C16779	Dendrolasin	C15H22O	218.1671	NA	KEGG	NA	NA
+C16966	Germacrone	C15H22O	218.1671	NA	KEGG	NA	NA
+C17494	Turmerone	C15H22O	218.1671	NA	KEGG	NA	NA
+C17501	Cyperotundone	C15H22O	218.1671	NA	KEGG	NA	NA
+C17914	Nootkatone	C15H22O	218.1671	NA	KEGG	NA	NA
+C17954	Albaflavenone	C15H22O	218.1671	NA	KEGG	NA	NA
+MJ009469	1-Butoxy-2-methyl-1-(2-methylpropoxy)-2-propanol 	C12H26O3	218.188194	NA	MeJP	NA	NA
+MJ009470	1,3,6,10-Farnesatetraene 	C16H26	218.20345	NA	MeJP	NA	NA
+MJ009471	14-Methyl-1,3,6,10-farnesatetraene 	C16H26	218.20345	NA	MeJP	NA	NA
+MJ009472	4,8,12-Trimethyl-1,3,7,11-tridecatetraene 	C16H26	218.20345	NA	MeJP	NA	NA
+MJ009473	8-Methyl-2,7(14)-himachaladiene 	C16H26	218.20345	NA	MeJP	NA	NA
+MJ009474	9-Methyl-1(10),4,7(11)-germacratriene 	C16H26	218.20345	NA	MeJP	NA	NA
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	PFEM_hmdb_metabocards_urine	NA	urine
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	HMDB	NA	NA
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	Inhouse_PFEM	NA	NA
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	PFEM_hmdb_metabocards_blood	NA	blood
+TEST002	 N?(carboxyethyl)lysine (CEL)        +sucre (glucose/fructose/galactose ?)	C9H18N2O4	218.2502	http://www.ebi.ac.uk/chebi/searchId.do;30D19046153DC67FFD0E8986038E72A4?chebiId=CHEBI:61063	PFEM_hmdb_metabocards_official	NA	NA
+3761	dipeptidyl carboxypeptidase inhibitor	PPPK	218.625	MH2+	Inhouse_peptide	NA	peptide
+MJ009475	2,3,4-Trichloro-1H-indole 	C8H4Cl3N	218.940932	NA	MeJP	NA	NA
+MJ009476	2,3,7-Trichloro-1H-indole 	C8H4Cl3N	218.940932	NA	MeJP	NA	NA
+HMDB06492	4-Nitrophenyl sulfate	C6H5NO6S	218.98376	http://www.hmdb.ca/metabolites/HMDB06492	HMDB	NA	NA
+HMDB06492	4-Nitrophenyl sulfate	C6H5NO6S	218.98376	HMDB06492	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06492	4-Nitrophenyl sulfate	C6H5NO6S	218.983765	NA	HMDB2010	NA	NA
+CJneg0398	Sulfosalicylic acid isomer [(M-H)]- (13C)	C613CH5O6S	218.992425	C18rt(min)=4.8 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0398	Sulfosalicylic acid isomer [(M-H)]- (13C)	C613CH5O6S	218.992425	C18rt(min)=4.8 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB01300	Nitrophenylphosphate	C6H6NO6P	218.99327	http://www.hmdb.ca/metabolites/HMDB01300	HMDB	NA	NA
+HMDB01300	Nitrophenylphosphate	C6H6NO6P	218.99327	HMDB01300	PFEM_hmdb_metabocards_official	NA	NA
+MJ009477	4-Nitrophenyl phosphate 	C6H6NO6P	218.993273	NA	MeJP	NA	NA
+MetaCyc02027	p-nitrophenyl phosphate []	C6H6N1O6P1	218.993273	NA	metacyc	NA	NA
+MetaCyc02028	nitrophenol-phosphate [NO2-phen-P;nitrophenol-P;]	C6H6N1O6P1	218.993273	NA	metacyc	NA	NA
+MetaCyc02029	4-nitrophenyl phosphate []	C6H6N1O6P1	218.993273	330-13-2	metacyc	NA	NA
+C03360	4-Nitrophenyl phosphate	C6H6NO6P	218.9933	NA	KEGG	NA	NA
+C03361	5'-Acylphosphoadenosine	C11H13N5O8PR	218.9933	NA	KEGG	NA	NA
+C03363	5-L-Glutamyl amino acid	C7H11N2O5R	218.9933	NA	KEGG	NA	NA
+CJneg0399	Hydroxyphenyllactic acid [(M+Cl)]- (13C)	C813CH10ClO4	219.038525	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0399	Hydroxyphenyllactic acid [(M+Cl)]- (13C)	C813CH10ClO4	219.038525	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc02030	hydroxymethylpyrimidine phosphate [4-amino-2-methyl-5-phosphomethylpyrimidine;4-amino-5-phosphomethyl-2-methylpyrimidine;HMP-P;4-amino-5-hydroxymethyl-2-methylpyrimidine-P;4-amino-5-hydroxymethyl-2-methylpyrimidine-phosphate;]	C6H10N3O4P1	219.040892	NA	metacyc	NA	NA
+C04556	4-Amino-2-methyl-5-phosphomethylpyrimidine	C6H10N3O4P	219.0409	NA	KEGG	NA	NA
+MJ009478	Ornidazole 	C7H10ClN3O3	219.041068	NA	MeJP	NA	NA
+MJ009479	Oxalylalbizziine 	C6H9N3O6	219.049135	NA	MeJP	NA	NA
+MJ009480	1,2-Dihydro-4-hydroxy-2-oxo-3-quinolineacetic acid 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+MJ009481	4,6-Dihydroxy-2-quinolinecarboxylic acid; 6-Me ether 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+MJ009482	4,7-Dihydroxy-2-quinolinecarboxylic acid; 7-Me ether 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+MJ009483	4,8-Dihydroxy-2-quinolinecarboxylic acid; 8-Me ether 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+MJ009484	5,6-Dimethyl-2-nitro-1,3-indanedione 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+MJ009485	5-Hydroxyindolepyruvate 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+MJ009486	8-Methoxykynurenate 	C11H9NO4	219.053157	NA	MeJP	NA	NA
+C05646	5-Hydroxyindolepyruvate	C11H9NO4	219.0532	NA	KEGG	NA	NA
+C05830	8-Methoxykynurenate	C11H9NO4	219.0532	NA	KEGG	NA	NA
+CJneg0400	Mannitol (and isomers) [(M+Cl)]- (13C)	C513CH14ClO6	219.059625	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0400	Mannitol (and isomers) [(M+Cl)]- (13C)	C513CH14ClO6	219.059625	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C13671	(S)-F-Willardiine	C7H10FN3O4	219.0655	NA	KEGG	NA	NA
+CJneg0401	Tetrahydrohippuric acid [(M+Cl)]-	C9H13ClNO3	219.066425	C18rt(min)=6.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0401	Tetrahydrohippuric acid [(M+Cl)]-	C9H13ClNO3	219.066425	C18rt(min)=6.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009487	Illukumbin 	C12H13NOS	219.071784	NA	MeJP	NA	NA
+MJ009488	O-Succinyl-L-homoserine 	C8H13NO6	219.074287	NA	MeJP	NA	NA
+MetaCyc02031	O-succinyl-L-homoserine [O-succinyl-homoserine;o-succinyl-L-homoserine;succinyl-homoserine;]	C8H13N1O6	219.074287	1492-23-5	metacyc	NA	NA
+C01118	O-Succinyl-L-homoserine	C8H13NO6	219.0743	NA	KEGG	NA	NA
+C03776	N-Acetyl-D-mannosaminolactone	C8H13NO6	219.0743	NA	KEGG	NA	NA
+MJ009489	1-Isothiocyanato-7-(methylthio)heptane; S-Oxide 	C9H17NOS2	219.075155	NA	MeJP	NA	NA
+MJ009490	Uredepa 	C7H14N3O3P	219.077277	NA	MeJP	NA	NA
+C04673	1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol	C7H13N3O5	219.0855	NA	KEGG	NA	NA
+PJ000053	SN 	C7H13N3O5	219.0855	NA	PeJP	NA	NA
+MetaCyc02032	D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol []	C7H13N3O5	219.085521	NA	metacyc	NA	NA
+C13355	Aniracetam	C12H13NO3	219.0895	NA	KEGG	NA	NA
+C13356	Transferred to D01884	C12H13NO3	219.0895	NA	KEGG	NA	NA
+C13357	Transferred to D01885	C12H13NO3	219.0895	NA	KEGG	NA	NA
+MJ009491	1,6,7-Isoquinolinetriol; NH-form, O,O,N-Tri-Me 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009492	2,3,4-Quinolinetriol; NH-form, 3,4-Di-Me ether, N-Me 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009493	2,4,6-Quinolinetriol; NH-form, N,O4,O6-Tri-Me 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009494	2,4,8-Quinolinetriol; NH-form, O4,O8,N-Tri-Me 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009495	5,6,7-Isoquinolinetriol; 5,6,7-Tri-Me ether 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009496	6,7-Dihydroxy-1-methylisoquinoline; Di-Me ether, N-oxide 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009497	Aniracetam 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009498	Norsecurinine, 14S,15R-Epoxide 	C12H13NO3	219.089543	NA	MeJP	NA	NA
+MJ009499	Norcotarnine; N-Me 	C12H14NO3(+)	219.089543	NA	MeJP	NA	NA
+MJ009500	Thalpetaline 	C12H14NO3(+)	219.089543	NA	MeJP	NA	NA
+8037	synthetic peptide	PHW	219.0945	MH2+	Inhouse_peptide	NA	peptide
+8043	synthetic peptide	PWH	219.0945	MH2+	Inhouse_peptide	NA	peptide
+C03417	Ngamma-Nitro-L-arginine	C6H13N5O4	219.0968	NA	KEGG	NA	NA
+C03418	Nucleoside 2'-phosphate	C5H10O7PR	219.0968	NA	KEGG	NA	NA
+C03419	Nucleoside 3'-phosphate	C5H10O7PR	219.0968	NA	KEGG	NA	NA
+C03422	O-Palmitoylglycoprotein	C20H36N2O4R2	219.0968	NA	KEGG	NA	NA
+3767	dipeptidyl carboxypeptidase inhibitor	PPEP	219.099	MH2+	Inhouse_peptide	NA	peptide
+3777	dipeptidyl carboxypeptidase inhibitor	PPPE	219.099	MH2+	Inhouse_peptide	NA	peptide
+MJ009501	N-Phenyl-1-naphthylamine 	C16H13N	219.104799	NA	MeJP	NA	NA
+MJ009502	N-Phenyl-2-naphthylamine 	C16H13N	219.104799	NA	MeJP	NA	NA
+C14405	N-Phenyl-1-naphthylamine	C16H13N	219.1048	NA	KEGG	NA	NA
+C14694	N-Phenyl-2-naphthylamine	C16H13N	219.1048	NA	KEGG	NA	NA
+CJpos0573	Pantothenic acid [(M+H)]+	C9H18NO5	219.110175	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0573	Pantothenic acid [(M+H)]+	C9H18NO5	219.110175	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00210	Pantothenic acid	C9H17NO5	219.11067	http://www.hmdb.ca/metabolites/HMDB00210	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00210	Pantothenic acid	C9H17NO5	219.11067	http://www.hmdb.ca/metabolites/HMDB00210	HMDB	NA	NA
+HMDB00210	Pantothenic acid	C9H17NO5	219.11067	NA  ;SYN:5-amino-4-oxo-Pentanoate; 5-amino-4-oxo-Pentanoic acid; 5-Amino-4-oxopentanoate; 5-Amino-4-oxopentanoic acid; 5-Amino-4-oxovalerate; 5-Amino-4-oxovaleric acid; 5-amino-Levulinate; 5-amino-Levulinic acid; 5-aminolaevulinate; 5-Aminolaevulinic acid; 5-Aminolevulinate; Aladerm; Amino-levulinic acid; Aminolevulinate; Aminolevulinic acid; delta-aminolevulinate; delta-Aminolevulinic acid; KerastickH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00210	Pantothenic acid	C9H17NO5	219.11067	http://www.hmdb.ca/metabolites/HMDB00210	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00210	Pantothenic acid	C9H17NO5	219.11067	HMDB00210	PFEM_hmdb_metabocards_official	NA	NA
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	HMDB	NA	NA
+HMDB00210	Pantothenic acid	C9H17NO5	219.110672	NA	HMDB2010	NA	NA
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	Inhouse_PFEM	NA	NA
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	Inhousejuil11	NA	NA
+MJ009503	1,2,6,7-Tetrahydroxy-3-hydroxymethyl-5-methylpyrrolizidine 	C9H17NO5	219.110672	NA	MeJP	NA	NA
+MJ009504	2-Amino-4-hydroxy-4-(2-methylpropyl)pentanedioic acid 	C9H17NO5	219.110672	NA	MeJP	NA	NA
+MJ009505	Pantothenic acid 	C9H17NO5	219.110672	NA	MeJP	NA	NA
+MJ009506	(R)-Pantothenate 	C9H17NO5	219.110672	NA	MeJP	NA	NA
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER051	panthotenic acid	C9H17NO5	219.110672	RT 12.21 pic trainant fragt 	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02033	pantothenate [(R)-pantothenate;vitamin B5;pantothenic acid;D-pantothenic acid;]	C9H17N1O5	219.110673	79-83-4	metacyc	NA	NA
+EUR076	Pantothenic acid	C9H17NO5	219.1107	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR076	Pantothenic acid	C9H17NO5	219.1107	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR076	Pantothenic acid	C9H17NO5	219.1107	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR076	Pantothenic acid	C9H17NO5	219.1107	Wishlist	Inhousejuil11	NA	NA
+C00864	Pantothenate	C9H17NO5	219.1107	NA	KEGG	NA	NA
+C00865	Phospholipid	C5H6O8PR3	219.1107	NA	KEGG	NA	NA
+C00866	Proteoglycan	C5H6O8PR3	219.1107	NA	KEGG	NA	NA
+C00868	tRNA uridine	C9H13N2O9P	219.1107	NA	KEGG	NA	NA
+CJneg0402	Pantothenic acid [(M-H)]-	C9H16NO5	219.111225	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0402	Pantothenic acid [(M-H)]-	C9H16NO5	219.111225	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH150	Pantothenic acid [M+H]+	C9H17NO5	219.1115	6.63	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH150	Pantothenic acid [M+H]+	C9H17NO5	219.1115	6.63	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH150	Pantothenic acid [M+H]+	C9H17NO5	219.1115	6.63	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH150	Pantothenic acid [M+H]+	C9H17NO5	219.1115	6.63	Inhousejuil11	NA	NA
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR341	Acide pantothenique F1	NA	219.111775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR341	Acide pantothenique F1	NA	219.111775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR341	Acide pantothenique F1	NA	219.111775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR341	Acide pantothenique F1	NA	219.111775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR341	pantothenic acid F1	C9H17NO5	219.111775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C00371	Zeatin	C10H13N5O	219.112	NA	KEGG	NA	NA
+C00372	Dextran	C10H13N5O	219.112	NA	KEGG	NA	NA
+C15545	cis-Zeatin	C10H13N5O	219.112	NA	KEGG	NA	NA
+MJ009507	Zeatin 	C10H13N5O	219.11201	NA	MeJP	NA	NA
+MetaCyc02034	cis-zeatin [(Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol;cZ;]	C10H13N5O1	219.11201	NA	metacyc	NA	NA
+HMDB12204	Cis-zeatin	C10H13N5O	219.112015	NA	HMDB2010	NA	NA
+MJ009508	Connatin 	C8H17N3O4	219.121906	NA	MeJP	NA	NA
+MJ009509	Octopinic acid 	C8H17N3O4	219.121906	NA	MeJP	NA	NA
+MJ009510	Ornithinoalanine; DL-L-form 	C8H17N3O4	219.121906	NA	MeJP	NA	NA
+MJ009511	Prumycin 	C8H17N3O4	219.121906	NA	MeJP	NA	NA
+C10857	Darlingine	C13H17NO2	219.1259	NA	KEGG	NA	NA
+MJ009512	2-Dimethylaminoethyl cinnamate 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009513	3,4-Dihydro-6,8-dimethoxy-1,3-dimethylisoquinoline 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009514	Alminoprofen 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009515	Darlingine 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009516	Dihydrosecurinine; Natural-form 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009517	N-Benzylcyclopropylcarbamic acid; Et ester 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009518	Norruspoline 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009519	Suffruticonine 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009520	Tanakamine 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+MJ009521	Tanakine 	C13H17NO2	219.125928	NA	MeJP	NA	NA
+C17229	Pentahomomethionine	C10H21NO2S	219.1293	NA	KEGG	NA	NA
+2665	synthetic fr, of human beta-CN (126-129) ACE inhibitor	LPLP	219.136	MH2+	Inhouse_peptide	NA	peptide
+MJ009522	Cimaterol 	C12H17N3O	219.137162	NA	MeJP	NA	NA
+MJ009523	2-(Hydroxymethyl)-3,4,5-piperidinetriol, N-Butyl 	C10H21NO4	219.147058	NA	MeJP	NA	NA
+MJ009524	2-Butyl-6-hydroxymethyl-3,4,5-piperidinetriol 	C10H21NO4	219.147058	NA	MeJP	NA	NA
+MJ009525	2-Hydroxymethyl-5-(1-hydroxypentyl)-3,4-pyrrolidinediol 	C10H21NO4	219.147058	NA	MeJP	NA	NA
+C13664	Bufotenidine	C13H19N2O	219.1497	NA	KEGG	NA	NA
+C09949	Fabianine	C14H21NO	219.1623	NA	KEGG	NA	NA
+C10171	(-)-Sedamine	C14H21NO	219.1623	NA	KEGG	NA	NA
+MJ009526	7-Demethyldeoxynupharidine 	C14H21NO	219.162314	NA	MeJP	NA	NA
+MJ009527	Fabianine 	C14H21NO	219.162314	NA	MeJP	NA	NA
+MJ009528	Preclamol 	C14H21NO	219.162314	NA	MeJP	NA	NA
+MJ009529	Profadol 	C14H21NO	219.162314	NA	MeJP	NA	NA
+MJ009530	Sedamine 	C14H21NO	219.162314	NA	MeJP	NA	NA
+MJ009531	Zylofuramine 	C14H21NO	219.162314	NA	MeJP	NA	NA
+MJ009532	Quinpirole 	C13H21N3	219.173547	NA	MeJP	NA	NA
+MJ009533	Amfepentorex 	C15H25N	219.198699	NA	MeJP	NA	NA
+MJ009534	Dendrobates Alkaloid 219A 	C15H25N	219.198699	NA	MeJP	NA	NA
+MJ009535	Dendrobates Alkaloid 219B 	C15H25N	219.198699	NA	MeJP	NA	NA
+7910	synthetic peptide	FHH	219.592	MH2+	Inhouse_peptide	NA	peptide
+7912	synthetic peptide	HFH	219.592	MH2+	Inhouse_peptide	NA	peptide
+7915	synthetic peptide	HHF	219.592	MH2+	Inhouse_peptide	NA	peptide
+8283	antioxidative peptide	NHAV	219.60295	MH2+	Inhouse_peptide	NA	peptide
+8064	synthetic peptide	RHQ	219.6085	MH2+	Inhouse_peptide	NA	peptide
+8060	synthetic peptide	RHK	219.6265	MH2+	Inhouse_peptide	NA	peptide
+2818	PEP inhibitor	KPPV	219.633	MH2+	Inhouse_peptide	NA	peptide
+MJ009536	Indium(III) chloride 	Cl3In	219.810436	NA	MeJP	NA	NA
+MJ009537	Bromoiodomethane 	CH2BrI	219.838456	NA	MeJP	NA	NA
+MJ009538	Methylhexathiepane 	C2H4S6	219.863724	NA	MeJP	NA	NA
+MJ009539	Chloroiodoacetic acid 	C2H2ClIO2	219.8788	NA	MeJP	NA	NA
+MJ009540	1-Chloro-3-iodo-2-propanol 	C3H6ClIO	219.915185	NA	MeJP	NA	NA
+C01874	2-Iodophenol	C6H5IO	219.9385	NA	KEGG	NA	NA
+MetaCyc02035	2-iodophenol []	C6H5O1I1	219.938508	533-58-4	metacyc	NA	NA
+MetaCyc02036	2-phosphono-3-sulfoproprionate []	C2H5O8P1S1	219.944274	NA	metacyc	NA	NA
+C14430	Dichlorvos	C4H7Cl2O4P	219.9459	NA	KEGG	NA	NA
+MJ009541	Dichlorvos 	C4H7Cl2O4P	219.9459	NA	MeJP	NA	NA
+MJ009542	Mecloralurea 	C4H7Cl3N2O2	219.95731	NA	MeJP	NA	NA
+MJ009543	3,5-Dichloro-4-hydroxybenzoic acid; Me ether 	C8H6Cl2O3	219.969399	NA	MeJP	NA	NA
+MJ009544	2,4-Dichlorophenoxyacetate 	C8H6Cl2O3	219.969399	NA	MeJP	NA	NA
+C03664	2,4-Dichlorophenoxyacetate	C8H6Cl2O3	219.9694	NA	KEGG	NA	NA
+C13689	m-Benzenesulfonium diazonium chloride	C6H5N2O3S	219.9709	NA	KEGG	NA	NA
+CJneg0403	Sulfosalicylic acid isomer [(M-H)]- (34S)	C7H5O6S034S	219.984825	C18rt(min)=4.8 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0403	Sulfosalicylic acid isomer [(M-H)]- (34S)	C7H5O6S034S	219.984825	C18rt(min)=4.8 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07647	Phosphoramide mustard	C4H11Cl2N2O2P	219.9935	NA	KEGG	NA	NA
+C16559	Isophosphamide mustard	C4H11Cl2N2O2P	219.9935	NA	KEGG	NA	NA
+MJ009545	5-(2-Thienylethynyl)-2-thiophenemethanol 	C11H8OS2	220.001656	NA	MeJP	NA	NA
+CJneg0404	Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]-	C7H7O6S	220.004725	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0404	Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]-	C7H7O6S	220.004725	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009546	4,6-Dichloro-5-methyl-1,3-benzenediol; Di-Me ether 	C9H10Cl2O2	220.005784	NA	MeJP	NA	NA
+MJ009547	Costatolide 	C9H10Cl2O2	220.005784	NA	MeJP	NA	NA
+MJ009548	Fumigatin chlorohydrin 	C8H9ClO5	220.013851	NA	MeJP	NA	NA
+C04115	4-Carboxy-4-hydroxy-2-oxoadipate	C7H8O8	220.0219	NA	KEGG	NA	NA
+C04116	4-Substituted phenylacetonitrile	C8H6NR	220.0219	NA	KEGG	NA	NA
+C04117	5'-Phospho-RNA 3'-mononucleotide	C10H19O16P3R2	220.0219	NA	KEGG	NA	NA
+MJ009549	4-Carboxy-4-hydroxy-2-oxoadipate 	C7H8O8	220.021917	NA	MeJP	NA	NA
+MetaCyc02037	2-hydroxy-4-oxobutane-1,2,4-tricarboxylate []	C7H8O8	220.021917	NA	metacyc	NA	NA
+MetaCyc02038	4-oxalocitramalate [4-carboxy-4-hydroxy-2-oxoadipic-acid;&gamma;-oxalocitramalate;]	C7H8O8	220.021917	NA	metacyc	NA	NA
+MetaCyc02039	4-carboxy-4-hydroxy-2-oxoadipate [4-Hydroxy-4-acetyl-2-oxoglutarate;4-carboxy-4-hydroxy-2-ketoadipate;]	C7H8O8	220.021917	NA	metacyc	NA	NA
+C01267	3-(Imidazol-4-yl)-2-oxopropyl phosphate	C6H9N2O5P	220.0249	NA	KEGG	NA	NA
+HMDB12236	Imidazole acetol-phosphate	C6H9N2O5P	220.024902	NA	HMDB2010	NA	NA
+MJ009550	3-(Imidazol-4-yl)-2-oxopropyl phosphate 	C6H9N2O5P	220.024907	NA	MeJP	NA	NA
+MetaCyc02040	imidazole acetol-phosphate [imidazole acetol-P;3-(imidazol-4-yl)-2-oxopropyl phosphate;]	C6H9N2O5P1	220.024908	99979-59-6	metacyc	NA	NA
+C06586	2,3-Dihydroxy-4'-chlorobiphenyl	C12H9ClO2	220.0291	NA	KEGG	NA	NA
+C14191	2-Chloro-4,4'-biphenyldiol	C12H9ClO2	220.0291	NA	KEGG	NA	NA
+MJ009551	2,3-Dihydroxy-4'-chlorobiphenyl 	C12H9ClO2	220.029107	NA	MeJP	NA	NA
+MJ009552	2,7-Dimethyl-1,4-naphthoquinone; 8-Chloro 	C12H9ClO2	220.029107	NA	MeJP	NA	NA
+JH136	Syringic acid [M+Na]+	NA	220.0313	11.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH136	Syringic acid [M+Na]+	NA	220.0313	11.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH136	Syringic acid [M+Na]+	NA	220.0313	11.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH136	Syringic acid [M+Na]+	NA	220.0313	11.87	Inhousejuil11	NA	NA
+CJneg0405	Hydroxyphenyllactic acid [(M+Cl)]- (37Cl)	C9H10Cl037ClO4	220.032225	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0405	Hydroxyphenyllactic acid [(M+Cl)]- (37Cl)	C9H10Cl037ClO4	220.032225	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009553	2,5,8-Trihydroxy-3-methyl-1,4-naphthoquinone 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009554	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 5-Me ether 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009555	5-Hydroxy-7,8-methylenedioxycoumarin; Me ether 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009556	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 8-Me ether 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009557	6-Methoxy-7,8-methylenedioxy-2H-1-benzopyran-2-one 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009558	7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009559	7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid; Me ether 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009560	Cerberic acid 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009561	Oospoglycol; Ketone 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MJ009562	Sescandelin; 1'-Ketone 	C11H8O5	220.037173	NA	MeJP	NA	NA
+MetaCyc02041	(3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoate [2'-carboxybenzalpyruvate;(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate;]	C11H8O5	220.037173	NA	metacyc	NA	NA
+C01275	(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate	C11H8O5	220.0372	NA	KEGG	NA	NA
+C01277	1-Phosphatidyl-1D-myo-inositol 4-phosphate	C11H18O16P2R2	220.0372	NA	KEGG	NA	NA
+C09964	Purpurogallin	C11H8O5	220.0372	NA	KEGG	NA	NA
+C16149	(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate	C11H8O5	220.0372	NA	KEGG	NA	NA
+C16214	3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate	C11H8O5	220.0372	NA	KEGG	NA	NA
+MetaCyc02042	thidiazuron [TDZ;]	C9H8N4O1S1	220.041882	NA	metacyc	NA	NA
+MJ009563	8-Chloro-6-chloromethyl-2-methyl-2,6-octadienal 	C10H14Cl2O	220.04217	NA	MeJP	NA	NA
+MJ009564	Orelline 	C10H8N2O4	220.048406	NA	MeJP	NA	NA
+MJ009565	3-(2-Chloro-3-hydroxybutenylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C9H13ClO4	220.050236	NA	MeJP	NA	NA
+MJ009566	Beckerelide; 4-Chloro 	C9H13ClO4	220.050236	NA	MeJP	NA	NA
+MJ009567	Rehmaglutin A; 7-Deoxy, 7?-chloro 	C9H13ClO4	220.050236	NA	MeJP	NA	NA
+C11490	AMCC	C7H12N2O4S	220.0518	NA	KEGG	NA	NA
+CJneg0406	Mannitol (and isomers) [(M+Cl)]- (37Cl)	C6H14Cl037ClO6	220.053325	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0406	Mannitol (and isomers) [(M+Cl)]- (37Cl)	C6H14Cl037ClO6	220.053325	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009568	2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+MJ009569	4-Methylthio-2,4-decadiene-6,8-diynoic acid, Me ester 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+MJ009570	5-Methylthio-2,4-decadiene-6,8-diynoic acid, Me ester 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+MJ009571	7-Methylthio-2,6-decadiene-4,8-diynoic acid; Me ester 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+MJ009572	9-Methylthio-2,8-decadiene-4,6-diynoic acid, Me ester 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+MJ009573	Chrycorin 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+MJ009574	Schmidtiol 	C12H12O2S	220.0558	NA	MeJP	NA	NA
+C16583	(R)-(Homo)2-citrate	C8H12O7	220.0583	NA	KEGG	NA	NA
+C16597	1-Hydroxypentane-1,2,5-tricarboxylate	C8H12O7	220.0583	NA	KEGG	NA	NA
+MetaCyc02043	(-)threo-iso(homo)2citrate [(-)threo-1-hydroxy-1,2,5-pentane-tricarboxylic acid;(-)threo-1-hydroxy-1,2,5-pentane-tricarboxylate;]	C8H12O7	220.058303	NA	metacyc	NA	NA
+MetaCyc02044	(R)-(homo)2citrate [(R)-2-hydroxy-1,2,5-pentanetricarboxylic acid;(R)-2-hydroxy-1,2,5-pentanetricarboxylate;]	C8H12O7	220.058303	NA	metacyc	NA	NA
+CJpos0574	Biopterin isomer [(M+H)-(NH3)]+	C9H9N4O3	220.059075	C18rt(min)=5.15 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0574	Biopterin isomer [(M+H)-(NH3)]+	C9H9N4O3	220.059075	C18rt(min)=5.15 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ009575	3-[(1-Methylpropyl)dithio]-2-propen-1-ol, Ac 	C9H16O2S2	220.059171	NA	MeJP	NA	NA
+MJ009576	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione 	C9H8N4O3	220.05964	NA	MeJP	NA	NA
+MJ009577	6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one 	C14H8N2O	220.063662	NA	MeJP	NA	NA
+MJ009578	Indeno[1,2,3-ij][2,7]naphthyridine; N-Oxide 	C14H8N2O	220.063662	NA	MeJP	NA	NA
+C09098	Canthin-6-one	C14H8N2O	220.0637	NA	KEGG	NA	NA
+JH168	Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+	NA	220.0652	15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH168	Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+	NA	220.0652	15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH168	Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+	NA	220.0652	15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH168	Trimethoxycinnamic acid (3,4,5-) [M+H-H20]+	NA	220.0652	15.69	Inhousejuil11	NA	NA
+MJ009579	Brassitin 	C11H12N2OS	220.067033	NA	MeJP	NA	NA
+PJ000054	SD 	C7H12N2O6	220.0695	NA	PeJP	NA	NA
+HMDB11168	L-beta-aspartyl-L-serine	C7H12N2O6	220.069534	NA	HMDB2010	NA	NA
+MJ009580	N-(2-Amino-2-carboxyethyl)aspartic acid; L-L-form 	C7H12N2O6	220.069536	NA	MeJP	NA	NA
+MJ009581	1,6-Dihydroxy-5-(hydroxymethyl)-1-methyl-2(1H)-naphthalenone 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009582	2,3-Dihydro-4-hydroxy-3-(1-methylethenyl)-5-benzofurancarboxylic acid 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009583	2,5-Dihydro-9-hydroxy-3-methyl-1-benzoxepin-7-carboxylic acid 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009584	2-Acetyl-4,6-dimethoxybenzofuran 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009585	2-Acetyl-5,6-dimethoxybenzofuran 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009586	2-Decene-4,6-diynedioic acid, Di-Me ester 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009587	3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxylic acid 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009588	3,4-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; Di-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009589	3,7-Bis(hydroxymethyl)-1-benzoxepin-5(2H)-one 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009590	3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid; 1'-Aldehyde 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009591	3-Ethyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 7-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009592	4,5-Dihydroxy-7-methyl-2H-1-benzopyran-2-one; Di-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009593	4,7-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; Di-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009594	4,8-Dihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; 4-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009595	4,8-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; Di-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009596	4-Hydroxy-3-(3-methyl-2-butenoyl)benzoic acid 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009597	5,7-Dihydroxy-2,3-dimethyl-4H-1-benzopyran-4-one; 7-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009598	5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009599	5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009600	5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 7-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009601	5,7-Dihydroxy-2-isopropyl-4H-1-benzopyran-4-one 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009602	5-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009603	6,8-Dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-1-one 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009604	6,8-Dihydroxy-3,4-dimethyl-1H-2-benzopyran-1-one; 6-Me ether 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009605	6-Hydroxy-5-benzofuranpropanoic acid; Me ester 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009606	Citreopyrones; Citreopyrone A 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009607	Cycloarthropsone 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009608	Differolide 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009609	Diomuscinone 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009610	Hispolone 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009611	Montadial A 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009612	Radianthin 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009613	Radicinol; 3-Deoxy, 4-ketone 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MJ009614	Tubaic acid 	C12H12O4	220.073558	NA	MeJP	NA	NA
+MetaCyc02045	2,6-dioxo-6-phenylhexanoate []	C12H12O4	220.073559	NA	metacyc	NA	NA
+C03750	2,6-Dioxo-6-phenylhexanoate	C12H12O4	220.0736	NA	KEGG	NA	NA
+C09963	Polygonolide	C12H12O4	220.0736	NA	KEGG	NA	NA
+3173	dipeptidyl-aminopeptidase IV inhibitor	MA	220.0774	celiac toxic	Inhouse_peptide	NA	peptide
+CJpos0575	Hydroxytryptophan isomer [M+H]+	C11H11O3N2	220.084275	C18rt(min)=4.54 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0576	Hydroxytryptophan isomer [M+H]+	C11H11O3N2	220.084275	C18rt(min)=5.67 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0577	Hydroxytryptophan isomer [M+H]+	C11H11O3N2	220.084275	C18rt(min)=3.07 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0575	Hydroxytryptophan isomer [M+H]+	C11H11O3N2	220.084275	C18rt(min)=4.54 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0576	Hydroxytryptophan isomer [M+H]+	C11H11O3N2	220.084275	C18rt(min)=5.67 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0577	Hydroxytryptophan isomer [M+H]+	C11H11O3N2	220.084275	C18rt(min)=3.07 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	220.08479	http://www.hmdb.ca/metabolites/HMDB00472	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	220.08479	http://www.hmdb.ca/metabolites/HMDB00472	HMDB	NA	NA
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	220.08479	NA  ;SYN:2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoate; 2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid; ADMA; NG,NG-Dimethyl-L-arginine; NG,NG-dimethylarginine; NG-dimethylarginine; Asymmetric dimethylarginine; N(omega),N(omega)-dimethyl-L-arginine; Nomega,Nomega'-Dimethyl-L-arginineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	220.08479	http://www.hmdb.ca/metabolites/HMDB00472	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	220.08479	HMDB00472	PFEM_hmdb_metabocards_official	NA	NA
+MJ009615	5-Hydroxytryptophan 	C11H12N2O3	220.084792	NA	MeJP	NA	NA
+MJ009616	6-Hydroxytryptophan 	C11H12N2O3	220.084792	NA	MeJP	NA	NA
+MJ009617	Bemarinone 	C11H12N2O3	220.084792	NA	MeJP	NA	NA
+MJ009618	Jasminine 	C11H12N2O3	220.084792	NA	MeJP	NA	NA
+MJ009619	5-Hydroxy-L-tryptophan 	C11H12N2O3	220.084792	NA	MeJP	NA	NA
+MetaCyc02046	5-hydroxy-L-tryptophan [D,L-5-hydroxytryptophan;5-HTP;oxytryptophan;oxitriptan;hydroxytryptophan;5-hydroxytryptophan;]	C11H12N2O3	220.084792	56-69-9	metacyc	NA	NA
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	PFEM_hmdb_metabocards_urine	NA	urine
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	HMDB	NA	NA
+HMDB00472	5-Hydroxy-L-tryptophan	C11H12N2O3	220.084793	NA	HMDB2010	NA	NA
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	Inhouse_PFEM	NA	NA
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	PFEM_hmdb_metabocards_blood	NA	blood
+TEST013	hydroxy-derivatives	C11H12N2O3	220.084793	http://www.hmdb.ca/metabolites/HMDB00472	PFEM_hmdb_metabocards_official	NA	NA
+C00643	5-Hydroxy-L-tryptophan	C11H12N2O3	220.0848	NA	KEGG	NA	NA
+C01017	5-Hydroxytryptophan	C11H12N2O3	220.0848	NA	KEGG	NA	NA
+C09985	Jasminine	C11H12N2O3	220.0848	NA	KEGG	NA	NA
+CJneg0407	Hydroxytryptophan isomer [M-H]-	C11H11O3N2	220.085325	C18rt(min)=4.54 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0408	Hydroxytryptophan isomer [M-H]-	C11H11O3N2	220.085325	C18rt(min)=5.67 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0409	Hydroxytryptophan isomer [M-H]-	C11H11O3N2	220.085325	C18rt(min)=3.07 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0407	Hydroxytryptophan isomer [M-H]-	C11H11O3N2	220.085325	C18rt(min)=4.54 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0408	Hydroxytryptophan isomer [M-H]-	C11H11O3N2	220.085325	C18rt(min)=5.67 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0409	Hydroxytryptophan isomer [M-H]-	C11H11O3N2	220.085325	C18rt(min)=3.07 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000055	AM 	C8H16N2O3S	220.0882	NA	PeJP	NA	NA
+HMDB13139	1-Hydroxypyrene	C16H12O	220.088821	NA	HMDB2010	NA	NA
+MJ009620	9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol; Deoxy, 3-hydroxy, 4,5-dihydro 	C13H16OS	220.092185	NA	MeJP	NA	NA
+7650	ACE inhibitor from red algae	MKY	220.0987	MH2+	Inhouse_peptide	NA	peptide
+MJ009621	3-[2-(4-Pyridinyl)ethenyl]-1H-indole 	C15H12N2	220.100048	NA	MeJP	NA	NA
+8056	synthetic peptide	RHE	220.1005	MH2+	Inhouse_peptide	NA	peptide
+MJ009622	Morantel 	C12H16N2S	220.103419	NA	MeJP	NA	NA
+MJ009623	Xylazine 	C12H16N2S	220.103419	NA	MeJP	NA	NA
+C01239	N-Acetyl-beta-D-glucosaminylamine	C8H16N2O5	220.1059	NA	KEGG	NA	NA
+C01240	2',3'-Cyclic nucleotide	C5H8O6PR	220.1059	NA	KEGG	NA	NA
+C01241	Phosphatidyl-N-methylethanolamine	C8H14NO8PR2	220.1059	NA	KEGG	NA	NA
+C01242	S-Aminomethyldihydrolipoylprotein	C9H19N2OS2R	220.1059	NA	KEGG	NA	NA
+PJ000056	TT 	C8H16N2O5	220.1059	NA	PeJP	NA	NA
+MetaCyc02047	N-acetyl-&beta;-glucosaminylamine []	C8H16N2O5	220.105922	NA	metacyc	NA	NA
+HMDB01104	N-Acetyl-b-glucosaminylamine	C8H16N2O5	220.105927	NA	HMDB2010	NA	NA
+HMDB01104	N-Acetyl-b-glucosaminylamine	C8H16N2O5	220.10593	http://www.hmdb.ca/metabolites/HMDB01104	HMDB	NA	NA
+HMDB01104	N-Acetyl-b-glucosaminylamine	C8H16N2O5	220.10593	HMDB01104	PFEM_hmdb_metabocards_official	NA	NA
+C09018	Precocene 2	C13H16O3	220.1099	NA	KEGG	NA	NA
+C09928	Flossonol	C13H16O3	220.1099	NA	KEGG	NA	NA
+C12263	1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene	C13H16O3	220.1099	NA	KEGG	NA	NA
+MJ009624	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009625	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009626	10,12-Dihydro-11-hydroxytremetone 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009627	2,2,8-Trimethyl-2H-1-benzopyran-5,6-diol; 5-Me ether 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009628	2,8-Dimethyl-2H-1-benzopyran-5,7-diol, Di-Me ether 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009629	2-(1-Oxopentyl)benzoic acid; Me ester 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009630	2-Hydroxy-2-phenylcyclohexanecarboxylic acid 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009631	2-Hydroxy-5-(1-hydroxyethyl)benzaldehyde; 2-O-(2-Methyl-1-propenyl) 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009632	2-Hydroxyacetophenone; 2,2-Dimethylpropanoyl 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009633	2-Hydroxybenzoic acid; 3-Hexenyl ester (Z-) 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009634	2-Isopropyl-5,6-dimethoxybenzofuran 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009635	2-Methoxy-3-methyl-6-(3-methyl-1,3-pentadienyl)-4H-pyran-4-one 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009636	3-(4-Hydroxy-2-vinylphenyl)propanoic acid; Me ether, Me ester 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009637	4-(1,3-Butadienyl)-1,2-dimethoxybenzene, 5-Methoxy 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009638	4-Hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)acetophenone 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009639	4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; Me ester 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009640	4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)acetophenone 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009641	5-Acetyl-2,3-dihydro-2-(1-hydroxyisopropyl)benzofuran 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009642	5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran; 1'-Alcohol 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009643	6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009644	6,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyran 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009645	6-(2-Hydroxyethyl)-2,2-dimethyl-4-chromanone 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009646	7,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyran 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009647	Cyercene 1 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009648	Ferdisin 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009649	Flossonol 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009650	Norpterosin C 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009651	Phycopsisenone 	C13H16O3	220.109944	NA	MeJP	NA	NA
+MJ009652	Isaglidole 	C11H13FN4	220.112424	NA	MeJP	NA	NA
+CJpos0578	Pantothenic acid [(M+H)]+ (13C)	C813CH18NO5	220.113475	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0578	Pantothenic acid [(M+H)]+ (13C)	C813CH18NO5	220.113475	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR478	15ketoProstaglandinF2? F5	NA	220.113825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR478	15ketoProstaglandinF2? F5	NA	220.113825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR478	15ketoProstaglandinF2? F5	NA	220.113825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR478	15ketoProstaglandinF2? F5	NA	220.113825	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR478	15ketoProstaglandinF2? F5	F5	220.113825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0410	Pantothenic acid [(M-H)]- (13C)	C813CH16NO5	220.114625	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0410	Pantothenic acid [(M-H)]- (13C)	C813CH16NO5	220.114625	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc02048	D-1-guanidino-3-amino-1,3-dideoxy-scyllo-inositol []	C7H16N4O4	220.117155	NA	metacyc	NA	NA
+C01298	1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol	C7H16N4O4	220.1172	NA	KEGG	NA	NA
+C01299	Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)]	C20H22N7O9PR2	220.1172	NA	KEGG	NA	NA
+MJ009653	1,2-Ethanediamine; N-(4-Methoxycinnamoyl)(E-) 	C12H16N2O2	220.121177	NA	MeJP	NA	NA
+MJ009654	Bufotenine; Nb-Oxide 	C12H16N2O2	220.121177	NA	MeJP	NA	NA
+MJ009655	Eltoprazine 	C12H16N2O2	220.121177	NA	MeJP	NA	NA
+C12958	Phenylacetylglycine dimethylamide	C12H16N2O2	220.1212	NA	KEGG	NA	NA
+MJ009656	1,5-Diphenyl-1,4-pentadiene 	C17H16	220.1252	NA	MeJP	NA	NA
+MJ009657	2-Methyl-6-methylene-1,2,3,7,8-octanepentol 	C10H20O5	220.131073	NA	MeJP	NA	NA
+MJ009658	Nogalose 	C10H20O5	220.131073	NA	MeJP	NA	NA
+MJ009659	Lidamidine 	C11H16N4O	220.132411	NA	MeJP	NA	NA
+C09519	Oblongolide	C14H20O2	220.1463	NA	KEGG	NA	NA
+C09673	Glutinosone	C14H20O2	220.1463	NA	KEGG	NA	NA
+MJ009660	1,5-Epoxy-14-nor-11-guaien-10-one 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009661	13-Nor-2-bisabolene-1,11-dione; 9,10-Didehydro 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009662	13-Tetradecene-1,3-diyne-6,7-diol 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009663	15-Nor-1,4-maalianedione 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009664	2-Acetyl-4-hydroxyspiro[5.6]dodeca-1,4-diene 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009665	2-Isopropyl-4-methylphenol; 2-Methylpropanoyl 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009666	2-Isopropyl-5-methylphenol; 2-Methylpropanoyl 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009667	4,9-Dimethyl-2,4,6,8,10-dodecapentaene-1,12-diol 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009668	4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009669	5,9-Epoxy-4-tetradecen-1-yn-3-one 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009670	6-Tetradecene-1,3-diyne-5,8-diol 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009671	7,9-Tetradecadiynoic acid 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009672	?-Irone, 4-Oxo 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009673	Butibufen 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009674	Davanafuran 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009675	Glutinosone 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009676	Khusitoneol 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009677	Mayurone; 1?,2?-Epoxide 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009678	Muzigaal 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009679	Nortaylorione 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009680	Oblongolide 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009681	Penienone 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009682	Polygonal; 7-Ketone 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009683	Zanthoxylol 	C14H20O2	220.146329	NA	MeJP	NA	NA
+MJ009684	Conolline 	C13H20N2O	220.157563	NA	MeJP	NA	NA
+MJ009685	Jordanine 	C13H20N2O	220.157563	NA	MeJP	NA	NA
+MJ009686	Prilocaine 	C13H20N2O	220.157563	NA	MeJP	NA	NA
+C07531	Prilocaine	C13H20N2O	220.1576	NA	KEGG	NA	NA
+C03461	2-trans,6-trans-Farnesal	C15H24O	220.1827	NA	KEGG	NA	NA
+C09719	alpha-Santalol	C15H24O	220.1827	NA	KEGG	NA	NA
+C09720	beta-Santalol	C15H24O	220.1827	NA	KEGG	NA	NA
+C14550	4-n-Nonylphenol	C15H24O	220.1827	NA	KEGG	NA	NA
+C14693	2,6-Di-t-butyl-4-methylphenol	C15H24O	220.1827	NA	KEGG	NA	NA
+C16908	Caryophyllene epoxide	C15H24O	220.1827	NA	KEGG	NA	NA
+C16945	Cyperol	C15H24O	220.1827	NA	KEGG	NA	NA
+C16974	Isocyperol	C15H24O	220.1827	NA	KEGG	NA	NA
+C17462	Alismol	C15H24O	220.1827	NA	KEGG	NA	NA
+C17915	Nootkatol	C15H24O	220.1827	NA	KEGG	NA	NA
+C17953	(5S)-Albaflavenol	C15H24O	220.1827	NA	KEGG	NA	NA
+C17955	(5R)-Albaflavenol	C15H24O	220.1827	NA	KEGG	NA	NA
+MJ009687	1(10),11-Eremophiladien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009688	1(10),11-Guaiadien-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009689	1(10),4(15)-Amorphadien-5-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009690	1(10),4(15)-Germacradien-6-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009691	1(10),4(15)-Lepidozadien-5-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009692	1(10),4,11-Germacratrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009693	1(10),4,7(11)-Germacratrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009694	1(10),4-Cadinadien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009695	1(10),4-Cadinadien-8-ol; 8?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009696	1(10),4-Germacradien-6-ol, Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009697	1(10),4-Lepidozadien-15-al, 15-Alcohol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009698	1(10),7(11)-Eremophiladien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009699	1(10),7(11)-Guaiadien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009700	1(10)-Aristolen-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009701	1(10)-Aromadendren-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009702	1(10)-Aromadendren-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009703	1(5),11-Guaiadiene; 1?,5?-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009704	1(5)-Aromadendren-7-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009705	1,10-Epoxy-11-guaiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009706	1,10-Epoxy-?-aristolane 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009707	1,11-Elemadien-15-al 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009708	1,11-Epoxy-10(14)-guaiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009709	1,11-Guaiadien-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009710	1,3(15),10-Bisabolatrien-7-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009711	1,3(15),10-Bisabolatrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009712	1,3(15),10-Bisabolatriene; 10?,11?-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009713	1,3(15),6,11-Farnesatetraen-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009714	1,3(15),6-Humulatrien-8-one; 6,7-Dihydro 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009715	1,3,10-Farnesatrien-5-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009716	1,3,11-Elematrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009717	1,3,5,10-Farnesatetraen-7-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009718	1,3,6-Elematrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009719	1,3-Elemadien-6-ol, 6-Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009720	1,3-Elemadien-6-ol, Ketone, 7-epimer 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009721	1,3-Eudesmadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009722	1,4,10-Bisabolatrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009723	1,4,6,10-Farnesatetraen-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009724	1,4,9-Bisbolatrien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009725	1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene, 15-Hydroxy 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009726	1,4-Elemadien-6-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009727	1,5,5,8-Tetramethylbicyclo[4.2.1]non-7-ene-9-acetaldehyde 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009728	1,5,7,11-Farnesatetraen-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009729	1,5,9-Bisabolatrien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009730	1,6,9,11-Farnesatetraen-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009731	1,6-Epoxy-4(15)-eudesmene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009732	1,7-Guaiadien-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009733	1,8-Epoxy-4-cadinene; 10?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009734	1,8-Epoxy-4-cadinene; 10?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009735	1,9-Epoxy-2,10-bisaboladiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009736	1,9-Eremophiladien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009737	1-Africanen-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009738	1-Aromadendren-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009739	1-Ishwaranol; 1?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009740	10(14)-Aromadendren-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009741	10(14)-Aromadendren-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009742	10(14)-Aromadendrene, 10?,14-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009743	10(14)-Oplopen-3-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009744	10(14)-Oplopen-4-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009745	10,11-Epoxy-1,3(15),6-farnesatriene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009746	10,11-Epoxyeremophilane, 1,2-Didehydro 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009747	10,15-Epoxylongifolane 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009748	10-Cloven-2-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009749	10-Epi-?-valerenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009750	10-Methyl-?-irone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009751	10-Methyl-?-irone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009752	11(13)-Rotunden-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009753	11,12-Epoxy-1(10)-nardosinene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009754	11-Eremophilen-1-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009755	11-Eremophilen-9-one; 10?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009756	12-Cyclocopacamphanol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009757	13-Isothiocyanatocubebane 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009758	2(12)-Zizaen-13-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009759	2,10-Bisaboladien-1-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009760	2,11-Acoradien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009761	2,11-Cyclo-13-isocomanol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009762	2,3-Epoxy-6,9-humuladiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009763	2,3-Epoxy-7,10-bisaboladiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009764	2,6,10-Bisabolatriene, 12-Hydroxy 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009765	2,6,10-Bisabolatriene, 2,3-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009766	2,6,10-Farnesatrien-1-ol, Aldehyde 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009767	2,6,6,8-Tetramethyltricyclo[6.2.1.01,5]undecan-7-ol, Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009768	2,6,9-Humulatrien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009769	2,6,9-Humulatrien-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009770	2,6,9-Humulatrien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009771	2,6,9-Humulatrien-8-ol, 6,7-Dihydro, ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009772	2,6-Di-tert-butyl-4-methylphenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009773	2,6-Epoxy-3-himachalene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009774	2,7(14),10-Bisabolatrien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009775	2,7(14),10-Bisabolatrien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009776	2,7(14),10-Bisabolatriene, 10?,11?-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009777	2,7(14),9-Bisabolatrien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009778	2,7(14),9-Humulatrien-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009779	2,7(14)-Bisaboladien-10-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009780	2,7(14)-Himachaladien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009781	2,7-Himachaladien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009782	2,9-Humuladien-6-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009783	2-Allohimachalen-6-ol, Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009784	2-Bicyclohumulen-6-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009785	2-Copacamphanol; 2?-form, Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009786	2-Isocomanone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009787	2-Isocomen-13-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009788	2-Isocomen-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009789	2-Isocomen-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009790	2-Methyl-4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-2-butenal 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009791	2-Modhephen-13-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009792	2-Modhephen-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009793	2-Modhephene; 2?,3?-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009794	3(15),6,9-Humulatrien-2-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009795	3(15),6-Caryophylladien-1-ol; 1?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009796	3(15),6-Caryophylladien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009797	3(15),6-Caryophylladien-14-oic acid, 14-Alcohol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009798	3(15),6-Caryophylladien-14-oic acid, 6,7-Dihydro, 14-aldehyde 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009799	3(15),6-Caryophylladien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009800	3(15),6-Caryophylladiene, 3?,15-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009801	3(15),7-Caryophylladien-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009802	3(15)-Africanen-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009803	3(15)-Africanene; 3?,15-Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009804	3(15)-Caryophyllen-5-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009805	3(15)-Cedren-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009806	3(15)-Cedren-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009807	3(15)-Gymnomitren-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009808	3(15)-Gymnomitren-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009809	3(15)-Gymnomitren-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009810	3(15)-Longifolen-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009811	3(15)-Longipinen-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009812	3(15)-Thujopsen-10-ol; 10?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009813	3(6)-Sterpuren-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009814	3,10(14),11-Germacratrien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009815	3,10(14)-Acoradien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009816	3,10(14)-Acoradien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009817	3,10(14)-Guaiadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009818	3,10-Epoxy-4-cadinene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009819	3,11(13)-Eudesmadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009820	3,11-Acoradien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009821	3,11-Eudesmadien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009822	3,11-Eudesmadien-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009823	3,11-Eudesmadien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009824	3,12-Epoxycedrane 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009825	3,5,10-Bisabolatrien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009826	3,5-Eudesmadien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009827	3,5-Eudesmadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009828	3,5-Guaiadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009829	3,7(11)-Acoradien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009830	3,7(11)-Muuroladien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009831	3,7(14)-Caryophylladien-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009832	3,7,10-Bisabolatrien-2-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009833	3,7,11-Trimethyl-2,7,10-dodecatrienal 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009834	3-Cedren-12-ol; 11?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009835	3-Cedren-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009836	3-Cedren-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009837	3-Copaen-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009838	3-Copaene, 11-Hydroxy 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009839	3-Copaene, 15-Hydroxy 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009840	3-Eudesmen-6-ol, 6-Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009841	3-Eudesmen-8-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009842	3-Gymnomitren-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009843	3-Longipinen-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009844	3-Methyl-5-(2,3,6-trimethyl-2,5-cyclohexadienyl)-1-penten-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009845	3-Thujopsen-15-oic acid; 15-Alcohol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009846	4(15),11(13)-Eudesmadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009847	4(15),11-Eudesmadien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009848	4(15),11-Eudesmadien-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009849	4(15),11-Eudesmadien-2-ol; 2?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009850	4(15),11-Eudesmadien-3-ol; 3?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009851	4(15),11-Eudesmadien-5-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009852	4(15),5,10(14)-Germacratrien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009853	4(15),5,9-Germacratrien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009854	4(15),5-Acoradien-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009855	4(15),7(11)-Eudesmadien-9-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009856	4(15),7(11)-Oppositadien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009857	4(15),7(11)-Valerenadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009858	4(15),7-Eudesmadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009859	4(15),7-Eudesmadien-2-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009860	4(15)-Copaen-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009861	4(15)-Cubebene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009862	4(15)-Eudesmen-6-ol, 6-Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009863	4(15)-Eudesmen-9-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009864	4,10(14)-Cadinadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009865	4,10(14)-Cadinadien-2-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009866	4,10(14)-Cadinadien-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009867	4,10(14)-Oplopadien-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009868	4,11(13)-Cadinadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009869	4,11(13)-Eudesmadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009870	4,11(13)-Guaiadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009871	4,11,11-Trimethyltricyclo[6.3.1.02,5]dodec-6-en-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009872	4,11-Cadinadien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009873	4,11-Eudesmadien-3-ol; 3?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009874	4,5-Epoxypatchoulane 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009875	4,6-Cadinadiene, 12-Hydroxy 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009876	4,6-Guaiadien-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009877	4,6-Guaiadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009878	4,7(11)-Acoradien-2-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009879	4,7(11)-Eudesmadien-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009880	4,7(11)-Valerenadien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009881	4,7-Amorphadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009882	4,9-Cyclo-7-daucen-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009883	4,9-Muuroladien-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009884	4,9-Muuroladien-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009885	4,9-Muuroladien-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009886	4-Acoren-3-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009887	4-Aromadendren-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009888	4-Aromadendren-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009889	4-Aromadendren-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009890	4-Copanol, 11,12-Didehydro 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009891	4-Eudesmen-6-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009892	4-Longipinanone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009893	4-Nonylphenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009894	4-Patchoulen-15-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009895	4-Patchoulen-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009896	5,10-Epoxy-3-cadinene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009897	5,11-Epoxy-1(10)-bulgarene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009898	5-(1,5-Dimethyl-1,4-hexadienyl)-2-ethenyltetrahydro-2-methylfuran 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009899	5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009900	5-Silphiperfolanone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009901	5-Silphiperfolen-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009902	6(13)-Zizaen-12-ol; 2àH-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009903	6(13)-Zizaen-3-ol; 3?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009904	6,10(14)-Guaiadien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009905	6,10-Epoxy-3-cuparene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009906	6,10-Epoxy-7(14)-isodaucene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009907	6,11-Epoxy-4-acorene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009908	6,11-Guaiadien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009909	6,12-Epoxy-1,3-elemadiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009910	6,12-Epoxy-4-spiroaxene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009911	6,7-Epoxy-2,9-humuladiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009912	6,7-Epoxy-3(15)-caryophyllene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009913	6,8-Cyclo-4(14)-eudesmen-1-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009914	6,9,12-Pentadecatrien-2-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009915	6,9-Guaiadien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009916	6-Caryophyllen-15-al 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009917	6-Eudesmen-12-al 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009918	7(11)-Eremophilen-8-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009919	7(14)-Isodaucen-10-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009920	7(14)-Isodaucen-6-ol; 6-Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009921	7,9-Nardosinadien-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009922	7-Protoilluden-6-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009923	8(12)-Drimen-11-ol, 11-Aldehyde 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009924	8(14),11-Daucadien-9-ol; 9?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009925	8,11,13-Pentadecatrien-2-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009926	8,11-Daucadien-14-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009927	8,11-Daucadien-4-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009928	8,12-Epoxy-4-cadinone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009929	8-Drimen-11-al 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009930	8-Drimen-7-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009931	8-Hydroxybicyclogermacrene; 8?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009932	9(12)-Capnellen-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009933	9,10-Epoxy-2,6-humuladiene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009934	9,10-Epoxy-4-muurolene 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009935	9,11-Eremophiladien-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009936	9-Aristolen-1-ol; 1?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009937	9-Aristolen-8-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009938	9-Oplopen-4-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009939	?-Santala-3(15),10-dien-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009940	Acanthodoral 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009941	Bazzanenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009942	Bicyclogermacren-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009943	Bicyclolaurencenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009944	Bisabolene oxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009945	Cabreuva oxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009946	Calacone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009947	Campherenol; 2-Ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009948	Cyclomyltaylan-3-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009949	Cyclomyltaylan-6-ol; 6?-form 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009950	Cyclomyltaylenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009951	Dactylenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009952	Dactyloxene A 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009953	Dactyloxene B 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009954	Dactyloxene D 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009955	Euphanginol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009956	Indipone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009957	Isoacanthodoral 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009958	Isohimachalone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009959	Isohumbertiol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009960	Lemnalol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009961	Myltaylenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009962	Nanaimoal 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009963	Oreodaphnenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009964	Pardalianchol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009965	Perforenone; 2?-Alcohol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009966	Perforenone; 2?-Alcohol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009967	Precarabrone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009968	Salsolene ketone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009969	Salsolene oxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009970	Senecrassidiol; Dideoxy, 3,4-didehydro, 5?-hydroxy 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009971	Sesquicineol; 1,2-Didehydro 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009972	Stachynone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009973	Striatenone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009974	Tremuladienol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009975	Waitziacuminone 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009976	?-Agarofuran 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009977	?-Bergamotenol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009978	?-Santal-10-en-12-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009979	?-Santal-10-ene; Epoxide 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009980	?-Santal-11-en-10-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009981	?-Santal-9-en-11-ol 	C15H24O	220.182715	NA	MeJP	NA	NA
+MJ009982	?-Santalan-10-one 	C15H24O	220.182715	NA	MeJP	NA	NA
+MetaCyc02049	2-transS6-trans-farnesal []	C15H24O1	220.182715	NA	metacyc	NA	NA
+MetaCyc02050	3-deoxy-capsidiol [1&beta;-hydroxy-5-epiaristolochene;]	C15H24O1	220.182715	NA	metacyc	NA	NA
+MetaCyc02051	1-deoxy-capsidiol [3&alpha;-hydroxy-5-epiaristolochene;]	C15H24O1	220.182715	NA	metacyc	NA	NA
+MetaCyc02052	dihydroartemisinic aldehyde []	C15H24O1	220.182715	NA	metacyc	NA	NA
+MetaCyc02053	artemisinic alcohol []	C15H24O1	220.182715	NA	metacyc	NA	NA
+MJ009983	11-Epileontidane 	C14H24N2	220.193948	NA	MeJP	NA	NA
+MJ009984	Angustifoline, Deoxo 	C14H24N2	220.193948	NA	MeJP	NA	NA
+MJ009985	13,14,15,16-Tetranor-4(18)-clerodene; ent-form 	C16H28	220.2191	NA	MeJP	NA	NA
+MJ009986	13,14,15,16-Tetranor-7-labdene; ent-form 	C16H28	220.2191	NA	MeJP	NA	NA
+3307	NA	PYY	220.589	MH2+	Inhouse_peptide	NA	peptide
+3785	NA	YYP	220.589	MH2+	Inhouse_peptide	NA	peptide
+CJneg0411	Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]- (13C)	C613CH7O6S	221.008025	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0411	Phenylsulfate/Phenolsulfonic acid [(M-H)+(HCOOH)]- (13C)	C613CH7O6S	221.008025	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ009987	2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid 	C10H7NO3S	221.014663	NA	MeJP	NA	NA
+MJ009988	5-Chloro-8-hydroxyquinoline; Ac 	C11H8ClNO2	221.024356	NA	MeJP	NA	NA
+MJ009989	Ciproximide 	C11H8ClNO2	221.024356	NA	MeJP	NA	NA
+C01111	7,8-Dihydroxykynurenate	C10H7NO5	221.0324	NA	KEGG	NA	NA
+MJ009990	7,8-Dihydroxykynurenate 	C10H7NO5	221.032422	NA	MeJP	NA	NA
+MJ009991	3-Amino-6,7-dihydroxy-2H-1-benzopyran-2-oneyl 	C10H7NO5	221.032422	NA	MeJP	NA	NA
+MJ009992	4,5,8-Trihydroxy-2-quinolinecarboxylic acid 	C10H7NO5	221.032422	NA	MeJP	NA	NA
+MetaCyc02054	7,8-dihydroxykynurenate []	C10H7N1O5	221.032422	NA	metacyc	NA	NA
+HMDB02135	S-(3-oxo-3-carboxy-n-propyl)cysteine	C7H11NO5S	221.035797	NA	HMDB2010	NA	NA
+HMDB02135	S-(3-oxo-3-carboxy-n-propyl)cysteine	C7H11NO5S	221.0358	http://www.hmdb.ca/metabolites/HMDB02135	HMDB	NA	NA
+HMDB02135	S-(3-oxo-3-carboxy-n-propyl)cysteine	C7H11NO5S	221.0358	HMDB02135	PFEM_hmdb_metabocards_official	NA	NA
+MJ009993	Chlorazanil 	C9H8ClN5	221.046822	NA	MeJP	NA	NA
+MJ009994	2-Isothiocyanato-1-propanol; Benzoyl 	C11H11NO2S	221.051049	NA	MeJP	NA	NA
+MJ009995	3-Isothiocyanato-1-propanol; Benzoyl 	C11H11NO2S	221.051049	NA	MeJP	NA	NA
+MJ009996	2-Amino-2-deoxygalacturonic acid, N-Formyl 	C7H11NO7	221.053551	NA	MeJP	NA	NA
+MJ009997	2-Hydroxy-2-(hydroxyaminocarbonyl)-3-methylpentanedioic acid 	C7H11NO7	221.053551	NA	MeJP	NA	NA
+MJ009998	4-Amino-2-hydroxy-1,2,4-butanetricarboxylic acid 	C7H11NO7	221.053551	NA	MeJP	NA	NA
+C01100	L-Histidinol phosphate	C6H12N3O4P	221.0565	NA	KEGG	NA	NA
+MJ009999	Dimethyl N2-creatininylphosphate 	C6H12N3O4P	221.056542	NA	MeJP	NA	NA
+MJ010000	L-Histidinol phosphate 	C6H12N3O4P	221.056542	NA	MeJP	NA	NA
+MetaCyc02055	L-histidinol-phosphate [L-histidinol-phosphate;histidinol-P;L-histidinol-p;histidinol-phosphate;]	C6H12N3O4P1	221.056542	25679-93-0	metacyc	NA	NA
+C10909	Methabenzthiazuron	C10H11N3OS	221.0623	NA	KEGG	NA	NA
+C05657	6-Hydroxyindolelactate	C11H11NO4	221.0688	NA	KEGG	NA	NA
+MJ010001	6-Hydroxyindolelactate 	C11H11NO4	221.068807	NA	MeJP	NA	NA
+MJ010002	1-Amino-2,3-dihydro-1H-indene-1,5-dicarboxylic acid 	C11H11NO4	221.068807	NA	MeJP	NA	NA
+MJ010003	2,3-Dihydro-3-hydroxy-2-oxo-1H-indole-3-acetic acid; Me ester 	C11H11NO4	221.068807	NA	MeJP	NA	NA
+MJ010004	4,5-Dihydro-2-(2-hydroxyphenyl)-4-oxazolecarboxylic acid, Me ester 	C11H11NO4	221.068807	NA	MeJP	NA	NA
+MJ010005	5,6-Dimethoxy-N-methylphthalimide 	C11H11NO4	221.068807	NA	MeJP	NA	NA
+MJ010006	5-Hydroxy-2-oxo-1H-indole-3-acetic acid; Me ester 	C11H11NO4	221.068807	NA	MeJP	NA	NA
+MJ010007	Isovalthine 	C8H15NO4S	221.072178	NA	MeJP	NA	NA
+MJ010008	3-(4-Hydroxyphenyl)quinoline 	C15H11NO	221.084063	NA	MeJP	NA	NA
+MJ010009	4-Methyl-10H-furo[3,2-a]carbazole 	C15H11NO	221.084063	NA	MeJP	NA	NA
+MJ010010	9-Methyl-6H-furo[2,3-c]carbazole 	C15H11NO	221.084063	NA	MeJP	NA	NA
+3582	NA	YGGF	221.0865	MH2+	Inhouse_peptide	NA	peptide
+MJ010011	Sinharine 	C12H15NOS	221.087434	NA	MeJP	NA	NA
+CJpos0579	Hydroxytryptophan isomer [M+H]+ (13C)	C10[13]CH11O3N2	221.087575	C18rt(min)=4.54 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0580	Hydroxytryptophan isomer [M+H]+ (13C)	C10[13]CH11O3N2	221.087575	C18rt(min)=5.67 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0581	Hydroxytryptophan isomer [M+H]+ (13C)	C10[13]CH11O3N2	221.087575	C18rt(min)=3.07 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0579	Hydroxytryptophan isomer [M+H]+ (13C)	C10[13]CH11O3N2	221.087575	C18rt(min)=4.54 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0580	Hydroxytryptophan isomer [M+H]+ (13C)	C10[13]CH11O3N2	221.087575	C18rt(min)=5.67 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0581	Hydroxytryptophan isomer [M+H]+ (13C)	C10[13]CH11O3N2	221.087575	C18rt(min)=3.07 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0412	Hydroxytryptophan isomer [M-H]- (13C)	C10[13]CH11O3N2	221.088725	C18rt(min)=4.54 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0413	Hydroxytryptophan isomer [M-H]- (13C)	C10[13]CH11O3N2	221.088725	C18rt(min)=5.67 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0414	Hydroxytryptophan isomer [M-H]- (13C)	C10[13]CH11O3N2	221.088725	C18rt(min)=3.07 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0412	Hydroxytryptophan isomer [M-H]- (13C)	C10[13]CH11O3N2	221.088725	C18rt(min)=4.54 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0413	Hydroxytryptophan isomer [M-H]- (13C)	C10[13]CH11O3N2	221.088725	C18rt(min)=5.67 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0414	Hydroxytryptophan isomer [M-H]- (13C)	C10[13]CH11O3N2	221.088725	C18rt(min)=3.07 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C00140	N-Acetyl-D-glucosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+C00645	N-Acetyl-D-mannosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+C01132	N-Acetyl-D-galactosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+C02711	N-Acetylhexosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+C03136	N-Acetyl-D-hexosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+C03878	N-Acetyl-beta-D-glucosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+C03879	N-Acetyl-beta-D-hexosaminide	C8H14NO6R	221.0899	NA	KEGG	NA	NA
+C03880	N-Substituted aminoacyl-tRNA	C13H18NO12PR4	221.0899	NA	KEGG	NA	NA
+C03881	N-Tetradecanoylglycylpeptide	C16H31NO3	221.0899	NA	KEGG	NA	NA
+C05021	N-Acetyl-beta-D-galactosamine	C8H15NO6	221.0899	NA	KEGG	NA	NA
+HMDB00212	N-Acetylgalactosamine	C8H15NO6	221.089935	NA	HMDB2010	NA	NA
+HMDB00215	N-Acetyl-D-glucosamine	C8H15NO6	221.089935	NA	HMDB2010	NA	NA
+HMDB00803	Beta-N-Acetylglucosamine	C8H15NO6	221.089935	NA	HMDB2010	NA	NA
+HMDB00853	N-Acetyl-b-D-galactosamine	C8H15NO6	221.089935	NA	HMDB2010	NA	NA
+HMDB01129	N-Acetylmannosamine	C8H15NO6	221.089935	NA	HMDB2010	NA	NA
+HMDB11744	N-Acetyl-D-mannosamine	C8H15NO6	221.089935	NA	HMDB2010	NA	NA
+MJ010012	N-Acetyl-D-glucosamine 	C8H15NO6	221.089937	NA	MeJP	NA	NA
+MJ010013	N-Acetyl-D-mannosamine 	C8H15NO6	221.089937	NA	MeJP	NA	NA
+MJ010014	2-Acetamido-2-deoxyglucose 	C8H15NO6	221.089937	NA	MeJP	NA	NA
+MJ010015	2-Amino-2-deoxygalactose, N-Ac 	C8H15NO6	221.089937	NA	MeJP	NA	NA
+MJ010016	Avenic acid B 	C8H15NO6	221.089937	NA	MeJP	NA	NA
+MetaCyc02056	N-acetylmannosamine [N-acetyl-D-mannosamine;]	C8H15N1O6	221.089937	3615-17-6	metacyc	NA	NA
+MetaCyc02057	N-acetyl-D-glucosamine [NAcGlc;N-acetylglucosamine;]	C8H15N1O6	221.089937	7512-17-6	metacyc	NA	NA
+MetaCyc02058	N-acetyl-D-galactosamine [N-acetylgalactosamine;acetylgalactosamine;2-acetamido-2-deoxy-D-galactopyranose;2-acetamido-2-deoxy-D-galactose;N-acetyl-D-chondrosamine;&alpha;-D-galactopyranose, 2-(acetylamino)-2-deoxy-;]	C8H15N1O6	221.089937	31022-50-1	metacyc	NA	NA
+HMDB00215	N-Acetyl-D-glucosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00215	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00215	N-Acetyl-D-glucosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00215	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00215	N-Acetyl-D-glucosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00215	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00212	N-Acetylgalactosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00212	HMDB	NA	NA
+HMDB00215	N-Acetyl-D-glucosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00215	HMDB	NA	NA
+HMDB00803	beta-N-Acetylglucosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00803	HMDB	NA	NA
+HMDB00853	N-Acetyl-b-D-galactosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB00853	HMDB	NA	NA
+HMDB01129	N-Acetylmannosamine	C8H15NO6	221.08994	http://www.hmdb.ca/metabolites/HMDB01129	HMDB	NA	NA
+HMDB00212	N-Acetylgalactosamine	C8H15NO6	221.08994	HMDB00212	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00215	N-Acetyl-D-glucosamine	C8H15NO6	221.08994	HMDB00215	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00803	beta-N-Acetylglucosamine	C8H15NO6	221.08994	HMDB00803	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00853	N-Acetyl-b-D-galactosamine	C8H15NO6	221.08994	HMDB00853	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01129	N-Acetylmannosamine	C8H15NO6	221.08994	HMDB01129	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0582	Theobromine [(M+H)+(CH3CN)]+	C9H12N5O2	221.090775	C18rt(min)=4.79 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0582	Theobromine [(M+H)+(CH3CN)]+	C9H12N5O2	221.090775	C18rt(min)=4.79 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00389	2'-Deoxysepiapterin	C9H11N5O2	221.09126	http://www.hmdb.ca/metabolites/HMDB00389	HMDB	NA	NA
+HMDB00389	2'-Deoxysepiapterin	C9H11N5O2	221.09126	HMDB00389	PFEM_hmdb_metabocards_official	NA	NA
+MJ010017	2-Amino-4,7-dihydroxypteridine, Me ether, 1,3-di-Me 	C9H11N5O2	221.091274	NA	MeJP	NA	NA
+MJ010018	6-Acetylhomopterin 	C9H11N5O2	221.091274	NA	MeJP	NA	NA
+MJ010019	Sepiapterin, Deoxy 	C9H11N5O2	221.091274	NA	MeJP	NA	NA
+MetaCyc02059	a pyrimidodiazepine [PDA;2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimido[4,5-b]-[1,4]diazepine;]	C9H11N5O2	221.091275	NA	metacyc	NA	NA
+HMDB00389	2'-Deoxysepiapterin	C9H11N5O2	221.091278	NA	HMDB2010	NA	NA
+C02587	Pyrimidodiazepine	C9H11N5O2	221.0913	NA	KEGG	NA	NA
+MJ010020	Neptamustine 	C8H16ClN3O2	221.093104	NA	MeJP	NA	NA
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	PFEM_hmdb_metabocards_urine	NA	urine
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	1.39	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	1.39	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	1.39	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	HMDB	NA	NA
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	Inhouse_PFEM	NA	NA
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	1.39	Inhousejuil11	NA	NA
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	PFEM_hmdb_metabocards_blood	NA	blood
+JH156	N-acetyl-D-glucosamine [M+H]+	C8H15NO6	221.0975	Rtobs1.39	PFEM_hmdb_metabocards_official	NA	NA
+8062	synthetic peptide	RHM	221.0997	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc02060	1-guanidino-1-deoxy-scyllo-inositol []	C7H15N3O5	221.101171	NA	metacyc	NA	NA
+C04280	1-Guanidino-1-deoxy-scyllo-inositol	C7H15N3O5	221.1012	NA	KEGG	NA	NA
+MJ010021	3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone; Di-Me ether, N-Me 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010022	3,4-Dihydro-8-hydroxy-6,7-dimethoxy-1-methylisoquinoline 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010023	3,4-Dihydro-8-hydroxy-6,7-dimethoxyisoquinoline; N-Me, inner salt 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010024	4-(1H-Indol-3-yl)-1,2,3-butanetriol 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010025	5,6,7-Isoquinolinetriol; 5,6,7-Tri-Me ether, 3,4-dihydro 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010026	Anhalonine 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010027	Fluggeainol 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010028	Hydrocotarnine 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010029	Metaxalone 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010030	N-(2-Hydroxyethyl)cinnamamide; N-Me, 4-hydroxy 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+MJ010031	Phenylalanine, N-Ac, Me ester 	C12H15NO3	221.105193	NA	MeJP	NA	NA
+C07934	Metaxalone	C12H15NO3	221.1052	NA	KEGG	NA	NA
+C14291	Carbofuran	C12H15NO3	221.1052	NA	KEGG	NA	NA
+CJpos0583	Pantothenic acid [(M+H)]+ (18O)	C9H18NO418O	221.114375	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0583	Pantothenic acid [(M+H)]+ (18O)	C9H18NO418O	221.114375	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C13737	Dizocilpine	C16H15N	221.1204	NA	KEGG	NA	NA
+MJ010032	Dizocilpine 	C16H15N	221.120449	NA	MeJP	NA	NA
+HMDB12215	Dihydrozeatin	C10H15N5O	221.127655	NA	HMDB2010	NA	NA
+MJ010033	6-(4-Hydroxy-3-methylbutylamino)purine 	C10H15N5O	221.12766	NA	MeJP	NA	NA
+MJ010034	Heteromine C; N2,N2-Di-Me 	C10H16N5O(+)	221.12766	NA	MeJP	NA	NA
+MetaCyc02061	dihydrozeatin [2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol;N6-(4-Hydroxyisopentanyl)adenine;]	C10H15N5O1	221.12766	23599-75-9	metacyc	NA	NA
+C02029	Dihydrozeatin	C10H15N5O	221.1277	NA	KEGG	NA	NA
+MJ010035	1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethylisoquinoline 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010036	1,2,3,4-Tetrahydro-7,8-dimethoxy-1,2-dimethylisoquinoline 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010037	1,2,3,4-Tetrahydro-8-hydroxy-6-methoxy-1,2,3-trimethylisoquinoline 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010038	2-Amino-2-phenylacetic acid, 3-Methylbutyl ester 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010039	4-(2-Aminoethyl)phenol; N-(2-Methylbutanoyl) 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010040	7-Hydroxy-1-methylenepyrrolizidine, Angeloyl 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010041	Axinellamide 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010042	Butamoxane 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010043	Darlingine; 2,3-Dihydro 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010044	Darlingine; 5,11-Dihydro 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010045	Dioscorine 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010046	Exalamide 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010047	Ibuproxam 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010048	Ifoxetine 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010049	Luciduline, 11-Oxo 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010050	Pinnamine 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010051	Sedamine, 3R-Hydroxy, N-de-Me 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010052	Sediene 	C13H19NO2	221.141578	NA	MeJP	NA	NA
+MJ010053	1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline; N-Me 	C13H20NO2(+)	221.141578	NA	MeJP	NA	NA
+C09375	(+-)-Carnegine	C13H19NO2	221.1416	NA	KEGG	NA	NA
+C10142	Dioscorine	C13H19NO2	221.1416	NA	KEGG	NA	NA
+MJ010054	9-(Methylsulfonyl)nonylamine 	C10H23NO2S	221.144949	NA	MeJP	NA	NA
+C07402	Procarbazine	C12H19N3O	221.1528	NA	KEGG	NA	NA
+C10566	Alchorneine	C12H19N3O	221.1528	NA	KEGG	NA	NA
+C15477	CGP 28014	C12H19N3O	221.1528	NA	KEGG	NA	NA
+MJ010055	Alchorneine 	C12H19N3O	221.152812	NA	MeJP	NA	NA
+MJ010056	Isoalchorneine 	C12H19N3O	221.152812	NA	MeJP	NA	NA
+MJ010057	Procarbazine 	C12H19N3O	221.152812	NA	MeJP	NA	NA
+MJ010058	2,4,8-Decatrienoic acid, 2-Methylpropylamide 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010059	2,4,8-Decatrienoic isobutylamide 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010060	2,4-Decadienoic acid, Pyrrolidide 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010061	2,6,8-Decatrienoic acid, N-(2-Methylpropyl)amide 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010062	5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Nonyl-1H-pyrrole-2-carboxaldehyde 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010063	Indicamine 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010064	Mantella Alkaloid 221F 	C14H23NO	221.177964	NA	MeJP	NA	NA
+MJ010065	2,6-Di-4-pentenylpiperidine 	C15H27N	221.214349	NA	MeJP	NA	NA
+MJ010066	7-Amino-2,10-bisaboladiene 	C15H27N	221.214349	NA	MeJP	NA	NA
+MJ010067	Aromadendrane 1-isonitrile 	C15H27N	221.214349	NA	MeJP	NA	NA
+7942	synthetic peptide	YYV	221.597	MH2+	Inhouse_peptide	NA	peptide
+7956	synthetic peptide	VYY	221.597	MH2+	Inhouse_peptide	NA	peptide
+7960	synthetic peptide	YVY	221.597	MH2+	Inhouse_peptide	NA	peptide
+MJ010068	Iodomethanesulfonic acid 	CH3IO3S	221.884758	NA	MeJP	NA	NA
+MJ010069	2-Bromo-6-chloro-1,4-benzenediol 	C6H4BrClO2	221.908319	NA	MeJP	NA	NA
+C14352	6-Bromo-2-naphthol	C10H7BrO	221.968	NA	KEGG	NA	NA
+C06675	3-Sulfomuconate	C6H6O7S	221.9834	NA	KEGG	NA	NA
+C06676	4-Sulfolactone	C6H6O7S	221.9834	NA	KEGG	NA	NA
+MJ010070	3-Sulfomuconate 	C6H6O7S	221.983423	NA	MeJP	NA	NA
+MJ010071	4-Sulfolactone 	C6H6O7S	221.983423	NA	MeJP	NA	NA
+MJ010072	1,2,3,5-Benzenetetrol; 2-O-Sulfate 	C6H6O7S	221.983423	NA	MeJP	NA	NA
+C06805	Acetazolamide	C4H6N4O3S2	221.9881	NA	KEGG	NA	NA
+MJ010073	Acetazolamide 	C4H6N4O3S2	221.988131	NA	MeJP	NA	NA
+MetaCyc02062	2,4-substituted-furan []	C6H7O7P1	221.992939	NA	metacyc	NA	NA
+MetaCyc02063	TTFA [thenoyl trifluoro acetone;]	C8H5O2F3S1	221.996235	NA	metacyc	NA	NA
+C14246	2,4'-Dichlorobiphenyl	C12H8Cl2	222.0003	NA	KEGG	NA	NA
+C14248	4,4'-Dichlorobiphenyl	C12H8Cl2	222.0003	NA	KEGG	NA	NA
+C14354	2,5-Dichlorobiphenyl	C12H8Cl2	222.0003	NA	KEGG	NA	NA
+C14355	2,6-Dichlorobiphenyl	C12H8Cl2	222.0003	NA	KEGG	NA	NA
+C14356	3,5-Dichlorobiphenyl	C12H8Cl2	222.0003	NA	KEGG	NA	NA
+MJ010074	Bromisoval 	C6H11BrN2O2	222.00039	NA	MeJP	NA	NA
+C12829	Bromisovalum	C6H11BrN2O2	222.0004	NA	KEGG	NA	NA
+C12830	Transferred to D01392	C6H11BrN2O2	222.0004	NA	KEGG	NA	NA
+MJ010075	3-Chloro-5-hydroxy-2-methyl-1,4-naphthoquinone 	C11H7ClO3	222.008371	NA	MeJP	NA	NA
+MJ010076	2,3,5,7-Tetrahydroxy-1,4-naphthoquinone 	C10H6O6	222.016437	NA	MeJP	NA	NA
+MJ010077	2,5,6,8-Tetrahydroxy-1,4-naphthoquinone 	C10H6O6	222.016437	NA	MeJP	NA	NA
+MJ010078	2,5,7,8-Tetrahydroxy-1,4-naphthoquinone 	C10H6O6	222.016437	NA	MeJP	NA	NA
+MJ010079	6,7-Dihydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid 	C10H6O6	222.016437	NA	MeJP	NA	NA
+C16454	Radon-222	Rn	222.0176	NA	KEGG	NA	NA
+MJ010080	3-Chloro-4-(2-nitrophenyl)pyrrole 	C10H7ClN2O2	222.019605	NA	MeJP	NA	NA
+MJ010081	3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxylic acid, 6-Deoxy, 6-chloro, Me ester 	C8H11ClO5	222.029501	NA	MeJP	NA	NA
+MJ010082	?-Lipoic acid, S1-Oxide 	C8H14O3S2	222.038435	NA	MeJP	NA	NA
+MJ010083	cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl 	C12H11ClO2	222.044757	NA	MeJP	NA	NA
+MJ010084	3-(Chloromethylene)-2,3-dihydro-1-benzoxepin-7-methanol 	C12H11ClO2	222.044757	NA	MeJP	NA	NA
+C06585	cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenyl	C12H11ClO2	222.0448	NA	KEGG	NA	NA
+C02730	2-Succinylbenzoate	C11H10O5	222.0528	NA	KEGG	NA	NA
+C02732	Peptide tryptophan	C12H11N3O2R2	222.0528	NA	KEGG	NA	NA
+C02733	Peptidyl-L-alanine	C4H6N2O2R2	222.0528	NA	KEGG	NA	NA
+C09271	Leptodactylone	C11H10O5	222.0528	NA	KEGG	NA	NA
+C10496	Sphagnum acid	C11H10O5	222.0528	NA	KEGG	NA	NA
+C12264	6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid	C11H10O5	222.0528	NA	KEGG	NA	NA
+C12265	Lichenysin D	C42H71N8O12R	222.0528	NA	KEGG	NA	NA
+C12266	Iturin A	C37H51N12O14R	222.0528	NA	KEGG	NA	NA
+C12267	Bacillomycin D	C37H51N10O15R	222.0528	NA	KEGG	NA	NA
+C12268	Syringomycin	C45H68ClN14O17R	222.0528	NA	KEGG	NA	NA
+C14106	2-Hydroxy-7-hydroxymethylchromene-2-carboxylate	C11H10O5	222.0528	NA	KEGG	NA	NA
+C14107	2-Hydroxy-4-hydroxymethylbenzalpyruvate	C11H10O5	222.0528	NA	KEGG	NA	NA
+C17479	Fraxidin	C11H10O5	222.0528	NA	KEGG	NA	NA
+C17480	Isofraxidin	C11H10O5	222.0528	NA	KEGG	NA	NA
+MJ010085	2-Succinylbenzoate 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010086	1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofurancarboxaldehyde; 4-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010087	1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofurancarboxaldehyde; 6-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010088	2,3-Diformyl-6-methoxy-5-methylbenzoic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010089	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 5-Carboxylic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010090	3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010091	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010092	3-(4-Hydroxyphenyl)-2-pentenedioic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010093	3-Hydroxy-2-phenylpropanoic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010094	4,7,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 7-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010095	5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010096	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010097	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010098	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010099	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010100	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,8-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010101	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010102	5,7-Dihydroxy-2-(hydroxymethyl)-4H-1-benzopyran-4-one; 7-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010103	5,7-Dihydroxy-6-(hydroxymethyl)-2-methyl-4H-1-benzopyran-4-one 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010104	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010105	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010106	6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one; 7-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010107	6,7,9-Trihydroxy-3-methylcyclohepta[c]pyran-8(1H)-one 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010108	6,8-Dihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 6-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010109	6,8-Dihydroxy-4-(hydroxymethyl)-3-methyl-1H-2-benzopyran-1-one 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010110	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-Me ether 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010111	8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010112	Coarctatin 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010113	Convolvulol; 1'-Carboxylic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010114	Ellipsoidone A 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010115	Graphisquinone 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010116	Oospoglycol 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010117	Rosellinic acid 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010118	Rosigenin; 4',6'-Didehydro, 5'-ketone 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MJ010119	Sescandelin 	C11H10O5	222.052823	NA	MeJP	NA	NA
+MetaCyc02064	O-succinylbenzoate [2-succinylbenzoate;succinylbenzoate;]	C11H10O5	222.052823	NA	metacyc	NA	NA
+MetaCyc02065	2-succinylbenzoate [2-succinyl-benzoate;]	C11H10O5	222.052823	NA	metacyc	NA	NA
+C17214	2-(3'-Methylthio)propylmalic acid	C8H14O5S	222.0562	NA	KEGG	NA	NA
+C17215	3-(3'-Methylthio)propylmalic acid	C8H14O5S	222.0562	NA	KEGG	NA	NA
+MJ010120	1-(1-Propenylthio)propyl propyl disulfide 	C9H18S3	222.057062	NA	MeJP	NA	NA
+MJ010121	1-Propenyl 1-(propylthio)propyl disulfide 	C9H18S3	222.057062	NA	MeJP	NA	NA
+MJ010122	3,5-Dialkyl-1,2,4-trithiolanes; 3-Isopropyl-5-(2-methylpropyl)-1,2,4-trithiolane 	C9H18S3	222.057062	NA	MeJP	NA	NA
+MJ010123	8-Chloro-6-chloromethyl-2-methyl-1,6-octadien-3-ol 	C10H16Cl2O	222.05782	NA	MeJP	NA	NA
+MJ010124	8-Chloro-6-chloromethyl-2-methyl-2,6-octadien-1-ol 	C10H16Cl2O	222.05782	NA	MeJP	NA	NA
+MJ010125	2,3-Quinoxalinedimethanol; 1,4-Dioxide 	C10H10N2O4	222.064056	NA	MeJP	NA	NA
+C17532	Metoxadiazone	C10H10N2O4	222.0641	NA	KEGG	NA	NA
+C00542	Cystathionine	C7H14N2O4S	222.0674	NA	KEGG	NA	NA
+C02291	L-Cystathionine	C7H14N2O4S	222.0674	NA	KEGG	NA	NA
+C02292	L-Pro-L-boroPro	C7H14N2O4S	222.0674	NA	KEGG	NA	NA
+PJ000057	TC 	C7H14N2O4S	222.0674	NA	PeJP	NA	NA
+MJ010126	Cystathionine 	C7H14N2O4S	222.067427	NA	MeJP	NA	NA
+MJ010127	L-Cystathionine 	C7H14N2O4S	222.067427	NA	MeJP	NA	NA
+MJ010128	?-Methyllanthionine 	C7H14N2O4S	222.067427	NA	MeJP	NA	NA
+MJ010129	Cystathionine 	C7H14N2O4S	222.067427	NA	MeJP	NA	NA
+MetaCyc02066	cystathionine [DL-cystathionine;L-cystathionine;]	C7H14N2O4S1	222.067428	56-88-2	metacyc	NA	NA
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.067429	NA	HMDB2010	NA	NA
+HMDB00455	Allocystathionine	C7H14N2O4S	222.067429	NA	HMDB2010	NA	NA
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00099	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00099	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00099	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00099	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00099	HMDB	NA	NA
+HMDB00455	Allocystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00455	HMDB	NA	NA
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	NA  ;SYN:1H-Imidazole-4-ethanamine; 2-(1H-Imidazol-4-yl)ethanamine; 2-(1H-Imidazol-4-yl)ethylamine; 2-(1H-Imidazol-5-yl)ethanamine; 2-(1H-Imidazol-5-yl)ethylamine; 2-(4-Imidazolyl)ethanamine; 2-(4-Imidazolyl)ethylamine; 2-imidazol-4-yl-Ethylamine; 2-imidazol-4-ylethylamine; 4-(2-Aminoethyl)-1H-imidazole; 4-(2-Aminoethyl)imidazole; 4-Imidazoleethylamine; 5-Imidazoleethylamine; b-Imidazolyl-4-ethylamine; beta-Aminoethylglyoxaline; beta-Aminoethylimidazole; beta-aminothethylglyoxaline; beta-Imidazolyl-4-ethylamine; Eramin; Ergamine; Ergotidine; Free histamine; Histamine; HSM; L-Histamin base; L-Histamine; TheramineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	http://www.hmdb.ca/metabolites/HMDB00099	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00099	L-Cystathionine	C7H14N2O4S	222.06743	HMDB00099	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00455	Allocystathionine	C7H14N2O4S	222.06743	HMDB00455	PFEM_hmdb_metabocards_official	NA	NA
+FL3F99NS0001	Flavone	C15H10O2	222.06807	525-82-6	knapsack	NA	NA
+MJ010130	1-Methylanthraquinone 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010131	2,12-Tridecadiene-4,6,8,10-tetrayn-1-ol; Ac 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010132	2-Methylanthraquinone 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010133	2-Phenyl-1,3-indanedione 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010134	2-Phenyl-4H-1-benzopyran-4-one 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010135	3-Phenyl-1H-2-benzopyran-1-one 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010136	3-Phenyl-4H-1-benzopyran-4-one 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010137	7-Phenyl-2,4,6-heptatriyn-1-ol; Ac 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010138	9-Anthracenecarboxylic acid 	C15H10O2	222.068079	NA	MeJP	NA	NA
+MJ010139	7-Hydroxyflavylium(1+) 	C15H11O2(+)	222.068079	NA	MeJP	NA	NA
+HMDB03075	Flavone	C15H10O2	222.06808	http://www.hmdb.ca/metabolites/HMDB03075	HMDB	NA	NA
+HMDB03075	Flavone	C15H10O2	222.06808	HMDB03075	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03075	Flavone	C15H10O2	222.068085	NA	HMDB2010	NA	NA
+C00799	Isoflavone	C15H10O2	222.0681	NA	KEGG	NA	NA
+C07584	Phenindione	C15H10O2	222.0681	NA	KEGG	NA	NA
+C10043	2-Phenyl-4-benzopyron	C15H10O2	222.0681	NA	KEGG	NA	NA
+C10405	Tectoquinone	C15H10O2	222.0681	NA	KEGG	NA	NA
+C13699	9-Anthroic acid	C15H10O2	222.0681	NA	KEGG	NA	NA
+C15608	Flavone	C15H10O2	222.0681	NA	KEGG	NA	NA
+MJ010140	Zaltidine 	C8H10N6S	222.068765	NA	MeJP	NA	NA
+MJ010141	2-[2-(Methylthio)propenyl]benzoic acid, Me ester 	C12H14O2S	222.07145	NA	MeJP	NA	NA
+MJ010142	3-(Methylthio)-2-propenoic acid, 2-Phenylethyl ester 	C12H14O2S	222.07145	NA	MeJP	NA	NA
+MJ010143	3-[(4-Methylthio)phenyl]-2-butenoic acid, Me ester 	C12H14O2S	222.07145	NA	MeJP	NA	NA
+MJ010144	5-Methylthio-2,4,8-decatrien-6-ynoic acid, Me ester 	C12H14O2S	222.07145	NA	MeJP	NA	NA
+MJ010145	5-Methylthio-2,4-decadiene-6,8-diynoic acid, 6,7-(Z)-dihydro, Me ester 	C12H14O2S	222.07145	NA	MeJP	NA	NA
+MJ010146	6-O-Acetylglucose 	C8H14O7	222.073952	NA	MeJP	NA	NA
+MJ010147	Galacturonic acid, 2,3-Di-Me 	C8H14O7	222.073952	NA	MeJP	NA	NA
+MJ010148	Galacturonic acid, 2,4-Di-Me 	C8H14O7	222.073952	NA	MeJP	NA	NA
+MJ010149	Galacturonic acid, 3,4-Di-Me 	C8H14O7	222.073952	NA	MeJP	NA	NA
+MJ010150	myo-Inositol; 2-Ac 	C8H14O7	222.073952	NA	MeJP	NA	NA
+MetaCyc02067	6-acetyl-D-glucose []	C8H14O7	222.073953	107-85-7	metacyc	NA	NA
+HMDB10325	Ethyl glucuronide	C8H14O7	222.073959	NA	HMDB2010	NA	NA
+C02655	6-Acetyl-D-glucose	C8H14O7	222.074	NA	KEGG	NA	NA
+MJ010151	6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one; 4,5-Dihydro 	C14H10N2O	222.079312	NA	MeJP	NA	NA
+MetaCyc02068	4-fluorotryptophan [4fW;]	C11H11N2O2F1	222.080456	NA	metacyc	NA	NA
+MJ010152	Antibiotic CV 1 	C7H14N2O6	222.085186	NA	MeJP	NA	NA
+MJ010153	N-Carbamoylglucosamine 	C7H14N2O6	222.085186	NA	MeJP	NA	NA
+7591	ACE inhibitor	GF	222.089	antioxidative	Inhouse_peptide	NA	peptide
+7605	ACE inhibitor	FG	222.089	antioxidative	Inhouse_peptide	NA	peptide
+HMDB02056	Monoisobutyl phthalic acid	C12H14O4	222.0892	http://www.hmdb.ca/metabolites/HMDB02056	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02056	Monoisobutyl phthalic acid	C12H14O4	222.0892	http://www.hmdb.ca/metabolites/HMDB02056	HMDB	NA	NA
+C10429	Apiole	C12H14O4	222.0892	NA	KEGG	NA	NA
+C10449	Dillapiole	C12H14O4	222.0892	NA	KEGG	NA	NA
+C14175	Diethyl phthalate	C12H14O4	222.0892	NA	KEGG	NA	NA
+HMDB02056	Monoisobutyl phthalic acid	C12H14O4	222.0892	http://www.hmdb.ca/metabolites/HMDB02056	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02056	Monoisobutyl phthalic acid	C12H14O4	222.0892	HMDB02056	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02056	Monoisobutyl phthalic acid	C12H14O4	222.089203	NA	HMDB2010	NA	NA
+HMDB13247	Monobutylphthalate	C12H14O4	222.089203	NA	HMDB2010	NA	NA
+MJ010154	1,2-Benzenedicarboxylic acid; Di-Et ester 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010155	1-(2,4,6-Trihydroxyphenyl)-2-buten-1-one; 2,4-Di-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010156	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-5-benzofurancarboxaldehyde; 2'-Hydroxy 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010157	2,3-Dihydro-3,6-dihydroxy-2,2-dimethyl-4H-1-benzopyran-4-one, 6-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010158	2,3-Dihydro-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one; Di-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010159	2,3-Dimethoxy-4,5-methylenedioxy-1-propenylbenzene 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010160	2-Hydroxybenzoic acid; Tetrahydrofurfuryl ester 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010161	2-Methyl-2-butene-1,4-diol, 4-(2-Hydroxybenzoyl) 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010162	3,4-Dihydro-4,6,8-trihydroxy-7-methyl-1(2H)-naphthalenone, 6-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010163	3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 6-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010164	3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 8-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010165	3,4-Dihydro-7,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, Di-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010166	3,4-Dihydro-8-hydroxy-5-(2-hydroxyethyl)-3-methyl-1H-2-benzopyran-1-one 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010167	3,4-Dihydro-8-hydroxy-7-(hydroxymethyl)-3,4-dimethyl-1H-2-benzopyran-1-one 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010168	3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010169	3,9-Dihydroxy-9-(1-hydroxyethyl)-2H,9H-benzo[c]oxepin 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010170	3-(2,4,5-Trimethoxyphenyl)-2-propenal 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010171	3-(2,4-Dimethoxyphenyl)-2-butenoic acid 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010172	3-(3,4,5-Trihydroxyphenyl)-2-propenal, Tri-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010173	3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid; 1'-Alcohol 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010174	3-Ethyl-5,7-dihydroxy-3,6-dimethyl-1(3H)-isobenzofuranone 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010175	4-(2-Propenyl)-1,2,3,5-benzenetetrol; 1,2-Methylene, 3,5-di-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010176	4-(3,4,5-Trihydroxyphenyl)-3-buten-2-one, 3',5'-Di-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010177	5-(1-Propenyl)-1,2,3,4-benzenetetrol, 3,4-Methylene-1,2-di-Me ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010178	5-(2-Propenyl)-1,2,3,4-benzenetetrol; 1,2-Di-Me, 3,4-methylene ether 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010179	5-(3,4-Methylenedioxyphenyl)pentanoic acid 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010180	6,8-Dihydroxy-3,4,5-trimethyl-1H-2-benzopyran-1-one; 3,4-Dihydro 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010181	7,8-Dihydro-7,8-dihydroxy-3,5,7-trimethyl-6H-2-benzopyran-6-one 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010182	8-Ethyl-2,3-dihydro-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010183	Anodendroic acid 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010184	Apiole 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010185	Arthropsatriol C 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010186	Asparvenone 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010187	Deoxyradicinol 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010188	Dillapiol 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010189	Evodone, 6?-Acetoxy 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010190	Parvulenone 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010191	Radicinol; 4-Epimer, 3-deoxy 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010192	Sclerolide 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010193	Senkyunolide A; 3-Hydroxy, 8-oxo 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010194	Sordariol; 7-Aldehyde 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MJ010195	Sordariolone 	C12H14O4	222.089208	NA	MeJP	NA	NA
+MetaCyc02069	(3-methylbenzyl)succinate [3-methylbenzylsuccinate;]	C12H14O4	222.089209	NA	metacyc	NA	NA
+MJ010196	3-Benzylpyrido[3,4-e]-1,2,4-triazine 	C13H10N4	222.090546	NA	MeJP	NA	NA
+MetaCyc02070	5-isobutylthioribose []	C9H18O4S1	222.09258	NA	metacyc	NA	NA
+C14614	6-(Pentylthio)purine	C10H14N4S	222.0939	NA	KEGG	NA	NA
+CJpos0584	Theobromine [(M+H)+(CH3CN)]+ (13C)	C813CH12N5O2	222.094075	C18rt(min)=4.79 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0584	Theobromine [(M+H)+(CH3CN)]+ (13C)	C813CH12N5O2	222.094075	C18rt(min)=4.79 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ010197	3-Amino-1-(2-amino-3-hydroxyphenyl)-1-propanone; N3-Ac 	C11H14N2O3	222.100442	NA	MeJP	NA	NA
+MJ010198	5-(1-Cyclohexen-1-yl)-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione 	C11H14N2O3	222.100442	NA	MeJP	NA	NA
+MJ010199	Dehydrodopamine, N-?-Alanyl 	C11H14N2O3	222.100442	NA	MeJP	NA	NA
+MJ010200	Dihydrojasminine 	C11H14N2O3	222.100442	NA	MeJP	NA	NA
+PJ000058	GF 	C11H14N2O3	222.1005	NA	PeJP	NA	NA
+C04543	S-Butyl-DL-homocysteine-[S,R]-sulfoximine	C8H18N2O3S	222.1038	NA	KEGG	NA	NA
+MJ010201	2-Amino-4-(S-butylsulfonimidoyl)butanoic acid 	C8H18N2O3S	222.103813	NA	MeJP	NA	NA
+MetaCyc02071	buthionine sulfoximine []	C8H18N2O3S1	222.103813	NA	metacyc	NA	NA
+MJ010202	2,4-Diphenyl-2-butenal 	C16H14O	222.104465	NA	MeJP	NA	NA
+MJ010203	2-Propanol; O-?-D-Glucopyranoside 	C9H18O6	222.110338	NA	MeJP	NA	NA
+MJ010204	2-Propanol; O-?-D-Glucopyranoside 	C9H18O6	222.110338	NA	MeJP	NA	NA
+MJ010205	Iditol, 3,4-O-Isopropylidene 	C9H18O6	222.110338	NA	MeJP	NA	NA
+MJ010206	Morinamide 	C10H14N4O2	222.111675	NA	MeJP	NA	NA
+MetaCyc02072	3-isobutyl-1-methylxanthine []	C10H14N4O2	222.111676	NA	metacyc	NA	NA
+C13708	IBMX	C10H14N4O2	222.1117	NA	KEGG	NA	NA
+MJ010207	1-(2-Methyl-1-propenyl)-?-carboline 	C15H14N2	222.115698	NA	MeJP	NA	NA
+MJ010208	Diethyldithiocarbamic acid; Diethylamine salt (1:1) 	C9H22N2S2	222.12244	NA	MeJP	NA	NA
+MJ010209	Oxonazine 	C9H14N6O	222.122909	NA	MeJP	NA	NA
+MJ010210	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 2',3'-dihydro 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010211	2-Hydroxy-5-methyl-1-phenyl-3-hexanone, 4'-Hydroxy 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010212	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 1-Et, 3',4'-di-Me ether 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010213	4-(1,3-Butadienyl)-1,2-dimethoxybenzene, 5-Methoxy, 3',4'-dihydro 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010214	4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone; 2'',3''-Dihydro, 3''-hydroxy 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010215	5,13-Epoxy-7-megastigmene-3,9-dione 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010216	5-(Hydroxymethyl)-3-(3-methyl-2-butenyl)-1,2-benzenediol; 1-Me ether 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010217	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-Ketone 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010218	6-Hydroxy-4,7-megastigmadiene-2,9-dione 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010219	Harzianolide 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010220	Jasmonic acid; 3-Epimer, 4,5-didehydro, Me ester 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MJ010221	Moskachan B; 5'-Alcohol 	C13H18O3	222.125594	NA	MeJP	NA	NA
+MetaCyc02073	(+-)-6-hydroxy-3-oxo-&alpha;-ionone []	C13H18O3	222.125594	NA	metacyc	NA	NA
+C02533	Dehydrovomifoliol	C13H18O3	222.1256	NA	KEGG	NA	NA
+C02534	Dialkyl phosphate	PHO4R2	222.1256	NA	KEGG	NA	NA
+C04223	(+/-)-6-Hydroxy-3-oxo-alpha-ionone	C13H18O3	222.1256	NA	KEGG	NA	NA
+C11763	Miotine	C12H18N2O2	222.1368	NA	KEGG	NA	NA
+C16572	3-Hydroxymonoethylglycinexylidide	C12H18N2O2	222.1368	NA	KEGG	NA	NA
+MJ010222	Doxpicomine 	C12H18N2O2	222.136827	NA	MeJP	NA	NA
+MJ010223	Kuraramine 	C12H18N2O2	222.136827	NA	MeJP	NA	NA
+MJ010224	Nicametate 	C12H18N2O2	222.136827	NA	MeJP	NA	NA
+MJ010225	1,7,9-Heptadecatriene-11,13,15-triyne 	C17H18	222.14085	NA	MeJP	NA	NA
+MJ010226	Tetraethylene glycol; Di-Me ether 	C10H22O5	222.146723	NA	MeJP	NA	NA
+MJ010227	11-Hydroxy-12-nor-9(11)-drimen-8-one 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010228	11-Hydroxy-15-nor-5-amorphen-4-one 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010229	13-Methyl-5,8-tridecadienolide 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010230	13-Nor-2-bisabolene-1,11-dione 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010231	14-Nor-5-protoilludene-7,8-diol 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010232	15-Hydroxy-13-nor-2,11-bisaboladien-1-one 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010233	15-Nor-4-oxodihydro-?-agarofuran 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010234	2,6-Di-tert-butyl-1,4-benzenediol 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010235	3,6-Epidioxy-13-nor-1,11-bisaboladiene 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010236	4,10-Chromolaevanedione 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010237	4-Hydroxy-13-nor-7-eudesmen-11-one 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010238	4-Hydroxy-14-nor-5-dumorten-7-one 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010239	5-Nor-4,5-seco-7(11)-amorphene-4,6-dione 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010240	Isokobusone 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010241	Kobusone 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010242	Mikaniahumulene I 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010243	Norkhusinol oxide 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010244	Polygonal 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010245	Rishitin 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MJ010246	?-Irone, 7,8-Epoxide 	C14H22O2	222.161979	NA	MeJP	NA	NA
+MetaCyc02074	rishitin []	C14H22O2	222.16198	NA	metacyc	NA	NA
+C09715	Rishitin	C14H22O2	222.162	NA	KEGG	NA	NA
+C16977	Isokobusone	C14H22O2	222.162	NA	KEGG	NA	NA
+C16983	Kobusone	C14H22O2	222.162	NA	KEGG	NA	NA
+MJ010247	Ammodendrine, N-Me 	C13H22N2O	222.173213	NA	MeJP	NA	NA
+MJ010248	Dendrobates Alkaloid 252; Deoxy, O-de-Me 	C13H22N2O	222.173213	NA	MeJP	NA	NA
+MJ010249	Nigragilline 	C13H22N2O	222.173213	NA	MeJP	NA	NA
+MJ010250	Tetrahydrocytisine; N-Et 	C13H22N2O	222.173213	NA	MeJP	NA	NA
+HMDB04305	Farnesol	C15H26O	222.19836	http://www.hmdb.ca/metabolites/HMDB04305	HMDB	NA	NA
+HMDB06835	Polyprenol	C15H26O	222.19836	http://www.hmdb.ca/metabolites/HMDB06835	HMDB	NA	NA
+HMDB04305	Farnesol	C15H26O	222.19836	HMDB04305	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06835	Polyprenol	C15H26O	222.19836	HMDB06835	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04305	Farnesol	C15H26O	222.198364	NA	HMDB2010	NA	NA
+MJ010251	1(10),4-Germacradien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010252	1(10),4-Germacradien-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010253	1(10),5-Germacradien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010254	1(10),5-Germacradien-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010255	1(10)-Eremophilen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010256	1(10)-Eremophilen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010257	1(10)-Guaien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010258	1(10)-Lepidozen-5-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010259	1(10)-Spirovetiven-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010260	1(10)-Spirovetiven-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010261	1(5)-Guaien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010262	1(6)-Brasilen-2-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010263	1,10-Bisaboladien-3-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010264	1,11-Elemadien-8-ol; 8?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010265	1,3-Elemadien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010266	1,3-Elemadien-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010267	1,4-Bisaboladien-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010268	1,4-Epoxycadinane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010269	1,5-Bisaboladien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010270	1,6,10-Farnesatrien-3-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010271	1,6-Humuladien-3-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010272	1-Aromadendranol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010273	1-Presilphiperfolanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010274	10(14)-Cadinen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010275	10(14)-Guaien-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010276	10,11-Epoxyeremophilane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010277	10,11-Epoxyguaiane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010278	10-Aromadendranol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010279	10-Neopinguisen-5-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010280	10-Pinguisen-5-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010281	11(13)-Eudesmen-12-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010282	11-Eremophilen-10-ol; 10?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010283	11-Eudesmen-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010284	11-Eudesmen-5-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010285	11-Guaien-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010286	14(10?1)-Abeo-11-eudesmen-1-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010287	14(7?6)-Abeo-4-cuparen-3-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010288	2,10-Bisaboladien-1-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010289	2,10-Bisaboladien-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010290	2,10-Bisaboladien-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010291	2,4-Pentadecadienal 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010292	2,6,10-Farnesatrien-1-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010293	2,6,6,8-Tetramethyltricyclo[6.2.1.01,5]undecan-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010294	2,6-Bisaboladien-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010295	2,9-Humuladien-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010296	2-Africananol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010297	2-Allohimachalen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010298	2-Copacamphanol; 2?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010299	2-Guaien-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010300	2-Himachalen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010301	2-Himachalen-7-ol; 7?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010302	3(15),10-Bisaboladien-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010303	3(15),6-Caryophylladien-14-oic acid, 6?,7-Dihydro, 14-alcohol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010304	3,7,9-Trimethyl-8,10-dodecadien-6-one 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010305	3,7-Epoxycaryophyllane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010306	3-Acoren-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010307	3-Acoren-5-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010308	3-Africananol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010309	3-Cadinen-10-ol; 10?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010310	3-Cedranol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010311	3-Eudesmen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010312	3-Eudesmen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010313	3-Eudesmen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010314	3-Himachalen-6-ol; 6?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010315	3-Muurolen-1-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010316	3-Panasinsanol; 3?OH-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010317	3-Panasinsanol; 3àOH-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010318	3-Precapnellen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010319	3-Thujopsanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010320	4(15)-Cadinen-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010321	4(15)-Eremophilen-11-ol; 10?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010322	4(15)-Eudesmen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010323	4(15)-Eudesmen-5-ol; 5?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010324	4(15)-Eudesmen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010325	4(15)-Eudesmen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010326	4(15)-Oppositen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010327	4,10-Epoxymuurolane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010328	4,11-Epoxyeudesmane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010329	4,9-Germacradien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010330	4-Acoren-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010331	4-Ambiguen-1-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010332	4-Amorphen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010333	4-Amorphene-11,15-diol; 15-Deoxy 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010334	4-Brasilen-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010335	4-Cadinen-1-ol; 1?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010336	4-Cadinen-10-ol; 10?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010337	4-Cadinen-10-ol; 10?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010338	4-Copanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010339	4-Cubebanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010340	4-Daucen-14-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010341	4-Eudesmen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010342	4-Eudesmen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010343	4-Gorgonen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010344	4-Methylene-2-tetradecenal 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010345	4-Muurolen-1-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010346	4-Muurolen-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010347	4-Muurolen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010348	4-Muurolen-7-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010349	4-Nopsanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010350	5(10)-Pinguisen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010351	5(1?10)-Abeo-1-patchoulanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010352	5,11-Epoxyguaiane 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010353	5,8-Epoxy-9-daucanol, Deoxy 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010354	5-(2,2-Dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadien-1-ol; 7,8-Dihydro 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010355	5-Aromadendranol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010356	5-Brasilen-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010357	5-Brasilen-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010358	5-Cyclopentadecen-1-one 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010359	5-Eudesmen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010360	5-Guaien-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010361	5-Maalianol; 5?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010362	5-Muurolen-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010363	5-Pinguisen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010364	6(14)-Thapsen-13-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010365	6,9-Pentadecadien-2-one 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010366	6-Asteriscen-3-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010367	6-Eudesmen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010368	6-Eudesmen-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010369	6-Guaien-10-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010370	6-Guaien-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010371	6-Himachalen-9-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010372	6-Silphiperfolanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010373	6-Valerenen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010374	7(11)-Eudesmen-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010375	7(14)-Isodaucen-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010376	7,11-Seco-11-ishwaranol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010377	7-Cameroonanol; 7?-form 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010378	7-Drimen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010379	7-Isopropyl-2,10-dimethylspiro[4.5]dec-1-en-6-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010380	7-Prezizaanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010381	7-Silphiperfolanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010382	8(12)-Drimen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010383	8,11-Pentadecadien-2-one 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010384	8,13-Pentadecadien-2-one 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010385	8,9-Seco-9(11)-drimen-8-one 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010386	8-Daucen-4-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010387	8-Daucen-5-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010388	8-Lacinanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010389	8-Prenopsanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010390	8-Presilphiperfolanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010391	9(11)-Drimen-8-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010392	9-Eremophilen-11-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010393	9-Presilphiperfolanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010394	?-Caryophyllene alcohol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010395	?-Monocyclonerolidol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010396	?-Santal-10-en-3-ol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010397	Allocedrol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010398	Arenaran A 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010399	Campherenol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010400	Caparrapioxide 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010401	Cerapicol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010402	Ceratopicanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010403	Chenopodanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010404	Chokol K 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010405	Cuprenenol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010406	Cyclobutylsesquilavandulol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010407	Cyclocuparanol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010408	Cycloeudesmol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010409	Dipterol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010410	Faurinone 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010411	Ginsenol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010412	Gleenol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010413	Indonesiol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010414	Jinkohol II 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010415	Junicedranol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010416	Junipercedrol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010417	Khusiol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010418	Koidzumiol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010419	Lancifolol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010420	Laurobtusol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010421	Longiborneol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010422	Maaliol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010423	Maalioxide 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010424	Microbiotol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010425	Pacifigorgiol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010426	Peculiaroxide 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010427	Prostantherol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010428	Sesquicineol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010429	Sesquilavandulol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010430	Sesquisabinene; 3,15-Dihydro, 3-hydroxy (cis-) 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010431	Spirojatamol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010432	Striatol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010433	Tamariscol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010434	Tridensenal 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010435	Tridensone 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010436	Valeranone 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010437	Viridianol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010438	Widdrol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010439	?-Agarofuran; 3,4?-Dihydro 	C15H26O	222.198365	NA	MeJP	NA	NA
+MJ010440	?-Caryophyllene alcohol 	C15H26O	222.198365	NA	MeJP	NA	NA
+MetaCyc02075	2-transS6-trans-farnesol []	C15H26O1	222.198365	NA	metacyc	NA	NA
+MetaCyc02076	2-cis,6-trans-farnesol []	C15H26O1	222.198365	3790-71-4	metacyc	NA	NA
+C01126	2-trans,6-trans-Farnesol	C15H26O	222.1984	NA	KEGG	NA	NA
+C03220	2-cis,6-trans-Farnesol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09621	(-)-alpha-Bisabolol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09628	Carotol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09631	alpha-Cedrol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09651	Cycloeudesmol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09663	alpha-Eudesmol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09664	beta-Eudesmol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09676	Guaiol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09682	Himachalol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09698	Ledol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09704	Nerolidol	C15H26O	222.1984	NA	KEGG	NA	NA
+C09705	Patchouli alcohol	C15H26O	222.1984	NA	KEGG	NA	NA
+C16143	(1E,4S,5E,7R)-Germacra-1(10),5-dien-11-ol	C15H26O	222.1984	NA	KEGG	NA	NA
+C16813	Valeranone	C15H26O	222.1984	NA	KEGG	NA	NA
+C16970	Hinesol	C15H26O	222.1984	NA	KEGG	NA	NA
+C17124	gamma-Eudesmol	C15H26O	222.1984	NA	KEGG	NA	NA
+MJ010441	Leontiformine; Deformyl 	C14H26N2	222.209598	NA	MeJP	NA	NA
+7951	synthetic peptide	YYT	222.5865	MH2+	Inhouse_peptide	NA	peptide
+7973	synthetic peptide	YTY	222.5865	MH2+	Inhouse_peptide	NA	peptide
+7975	synthetic peptide	TYY	222.5865	MH2+	Inhouse_peptide	NA	peptide
+8015	synthetic peptide	LWQ	222.6105	MH2+	Inhouse_peptide	NA	peptide
+7546	ACE inhibitor	IKW	222.6285	MH2+	Inhouse_peptide	NA	peptide
+8012	synthetic peptide	LWK	222.6285	MH2+	Inhouse_peptide	NA	peptide
+42	Muscle	IKW	222.629	MH2+	Inhouse_peptide	NA	peptide
+MJ010442	2,3-Dibromo-1H-pyrrole 	C4H3Br2N	222.863224	NA	MeJP	NA	NA
+MJ010443	5-Bromo-1H-indole-3-carboxaldehyde 	C9H6BrNO	222.963276	NA	MeJP	NA	NA
+MJ010444	6-Bromo-1H-indole-3-carboxaldehyde 	C9H6BrNO	222.963276	NA	MeJP	NA	NA
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	HMDB	NA	NA
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	Inhouse_PFEM	NA	NA
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC029	UNKNOWN signif manip paracetamol	NA	223.0018	RT4.3	PFEM_hmdb_metabocards_official	NA	NA
+C04327	4-Methyl-5-(2-phosphoethyl)-thiazole	C6H10NO4PS	223.0068	NA	KEGG	NA	NA
+C04328	5'-Phosphomonoester oligonucleotides	C10H18O11P2R2	223.0068	NA	KEGG	NA	NA
+MJ010445	4-Methyl-5-(2-phosphoethyl)-thiazole 	C6H10NO4PS	223.006815	NA	MeJP	NA	NA
+MetaCyc02077	4-methyl-5-(&beta;-hydroxyethyl)thiazole phosphate [4-4-methyl-5-(2-phosphonooxyethyl)-thiazole;4-methyl-5-(2-phosphoethyl)-thiazole;THZ-P;4-Methyl-5-(2-phosphono-oxyethyl)-thiazole;]	C6H10N1O4P1S1	223.006815	NA	metacyc	NA	NA
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR248	Thiamine monophosphate F2	NA	223.007675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR248	Thiamine monophosphate F2	NA	223.007675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR248	Thiamine monophosphate F2	NA	223.007675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR248	Thiamine monophosphate F2	NA	223.007675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR248	Thiamin monophosphate F2	F2	223.007675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR242	Thiamine pyrophosphate F4	NA	223.010975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR242	Thiamine pyrophosphate F4	NA	223.010975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR242	Thiamine pyrophosphate F4	NA	223.010975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR242	Thiamine pyrophosphate F4	NA	223.010975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR242	Thiamin pyrophosphate F4	F4	223.010975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ010446	Tridentatol C 	C10H9NOS2	223.012555	NA	MeJP	NA	NA
+MetaCyc02078	8-seleno-octanoate []	C8H15O2SE1	223.023727	NA	metacyc	NA	NA
+MetaCyc02079	6-seleno-octanoate []	C8H15O2SE1	223.023727	NA	metacyc	NA	NA
+JH176	Glucosamine 6-phosphate [M+H-2H2O]+	NA	223.024	1.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH176	Glucosamine 6-phosphate [M+H-2H2O]+	NA	223.024	1.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH176	Glucosamine 6-phosphate [M+H-2H2O]+	NA	223.024	1.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH176	Glucosamine 6-phosphate [M+H-2H2O]+	NA	223.024	1.21	Inhousejuil11	NA	NA
+MJ010447	2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; 4,5-Dihydro (S-) 	C10H9NO3S	223.030313	NA	MeJP	NA	NA
+MJ010448	4-Amino-1-naphthalenesulfonic acid 	C10H9NO3S	223.030313	NA	MeJP	NA	NA
+MJ010449	Brassicanal C 	C10H9NO3S	223.030313	NA	MeJP	NA	NA
+MJ010450	Bucillamine 	C7H13NO3S2	223.033684	NA	MeJP	NA	NA
+MJ010451	Xanthopterincarboxylic acid 	C7H5N5O4	223.034153	NA	MeJP	NA	NA
+MJ010452	Cyclocreatine; 3-Phosphate 	C5H10N3O5P	223.035806	NA	MeJP	NA	NA
+MJ010453	4-Chloro-1H-indole-3-acetic acid; Me ester 	C11H10ClNO2	223.040006	NA	MeJP	NA	NA
+MJ010454	1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane 	C7H14ClNO3Si	223.043147	NA	MeJP	NA	NA
+HMDB04083	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid	C10H9NO5	223.048065	NA	HMDB2010	NA	NA
+HMDB04083	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate	C10H9NO5	223.04807	http://www.hmdb.ca/metabolites/HMDB04083	HMDB	NA	NA
+HMDB04083	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate	C10H9NO5	223.04807	HMDB04083	PFEM_hmdb_metabocards_official	NA	NA
+MJ010455	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate 	C10H9NO5	223.048072	NA	MeJP	NA	NA
+MJ010456	4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate 	C10H9NO5	223.048072	NA	MeJP	NA	NA
+MJ010457	7,8-Dihydro-7,8-dihydroxykynurenate 	C10H9NO5	223.048072	NA	MeJP	NA	NA
+MJ010458	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 	C10H9NO5	223.048072	NA	MeJP	NA	NA
+MJ010459	2-Aminobenzoic acid; N-(Carboxyacetyl) 	C10H9NO5	223.048072	NA	MeJP	NA	NA
+MJ010460	Echinosporin 	C10H9NO5	223.048072	NA	MeJP	NA	NA
+MetaCyc02080	3-methyl-5-hydroxy-6-(3-carboxy-3-oxopropenyl)-1H-2-pyridon []	C10H9N1O5	223.048072	NA	metacyc	NA	NA
+MetaCyc02081	N-Malonylanthranilate []	C10H9N1O5	223.048072	NA	metacyc	NA	NA
+MetaCyc02082	7,8-dihydro-7,8-dihydroxykynurenate []	C10H9N1O5	223.048072	NA	metacyc	NA	NA
+C01249	7,8-Dihydro-7,8-dihydroxykynurenate	C10H9NO5	223.0481	NA	KEGG	NA	NA
+C03147	N-Malonylanthranilate	C10H9NO5	223.0481	NA	KEGG	NA	NA
+C03148	N-Methyl-L-amino acid	C3H6NO2R	223.0481	NA	KEGG	NA	NA
+C05645	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate	C10H9NO5	223.0481	NA	KEGG	NA	NA
+C05652	4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate	C10H9NO5	223.0481	NA	KEGG	NA	NA
+MJ010461	5-(4-Chlorophenyl)-4-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one 	C10H10ClN3O	223.051239	NA	MeJP	NA	NA
+MJ010462	Clazolimine 	C10H10ClN3O	223.051239	NA	MeJP	NA	NA
+MJ010463	Cysteine, S-(3-Carboxy-3-hydroxypropyl) 	C7H13NO5S	223.051443	NA	MeJP	NA	NA
+MJ010464	Suritozole 	C10H10FN3S	223.057946	NA	MeJP	NA	NA
+MJ010465	2-Amino-4-(hydroxyphosphinyl)butanoic acid, N-Ac 	C7H14NO5P	223.060959	NA	MeJP	NA	NA
+MJ010466	Selfotel 	C7H14NO5P	223.060959	NA	MeJP	NA	NA
+C13735	Selfotel	C7H14NO5P	223.061	NA	KEGG	NA	NA
+C17952	N-Acetylphosphinothricin	C7H14NO5P	223.061	NA	KEGG	NA	NA
+C12182	Trisphaeridine	C14H9NO2	223.0633	NA	KEGG	NA	NA
+C14444	2-Aminoanthraquinone	C14H9NO2	223.0633	NA	KEGG	NA	NA
+MJ010467	4-Methylbenzo[g]quinoline-5,10-dione 	C14H9NO2	223.063328	NA	MeJP	NA	NA
+MJ010468	8,9-Methylenedioxyphenanthridine 	C14H9NO2	223.063328	NA	MeJP	NA	NA
+MJ010469	Niranin; 2'-Oxo 	C11H13NO2S	223.066699	NA	MeJP	NA	NA
+MJ010470	Tifemoxone 	C11H13NO2S	223.066699	NA	MeJP	NA	NA
+CJpos0585	1-methyluric acid [(M+H)+(CH3CN)]+	C8H10N5O3	223.069975	C18rt(min)=4.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0585	1-methyluric acid [(M+H)+(CH3CN)]+	C8H10N5O3	223.069975	C18rt(min)=4.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ010471	3,9-Dihydro-1,3,9-trimethyl-8-nitroso-1H-purine-2,6-dione 	C8H9N5O3	223.070539	NA	MeJP	NA	NA
+MJ010472	4,8-Dihydropyrimido[5,4-e]-1,2,4-triazine-3,5,7(6H)-trione; 2,6,8-Tri-Me 	C8H9N5O3	223.070539	NA	MeJP	NA	NA
+MJ010473	Asperopterin B 	C8H9N5O3	223.070539	NA	MeJP	NA	NA
+MJ010474	Erinacean 	C8H9N5O3	223.070539	NA	MeJP	NA	NA
+MJ010475	N-(Aminoiminomethyl)-N'-(4-nitrophenyl)urea 	C8H9N5O3	223.070539	NA	MeJP	NA	NA
+MJ010476	1-Phenazinecarboxylic acid; Amide 	C13H9N3O	223.074561	NA	MeJP	NA	NA
+CJpos0586	Acetyltyrosine isomer [(M+H)]+	C11H14NO4	223.083875	C18rt(min)=4.4 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0586	Acetyltyrosine isomer [(M+H)]+	C11H14NO4	223.083875	C18rt(min)=4.4 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	223.084457	NA	HMDB2010	NA	NA
+MJ010477	1,2,3,4-Tetrahydro-6,7-dihydroxy-1-methyl-3-isoquinolinecarboxylic acid 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010478	5-(Hydroxymethyl)-3-(4-methoxyphenyl)-2-oxazolidinone 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010479	Bendiocarb, ANSI 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010480	Cytoxazone 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010481	Gardenamide 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010482	Mephenoxalone 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010483	Moxadolen 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+MJ010484	Plectrodorine 	C11H13NO4	223.084457	NA	MeJP	NA	NA
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	223.08446	http://www.hmdb.ca/metabolites/HMDB00866	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	223.08446	http://www.hmdb.ca/metabolites/HMDB00866	HMDB	NA	NA
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	223.08446	Medium chain acyl carnitines  ;SYN:(-)-Lauroylcarnitine; (R)-Dodecanoylcarnitine; Dodecanoyl-L-carnitine; L-Carnitine dodecanoyl ester; Lauroyl-L(-)-carnitin; Lauroyl-L-carnitine; LauroylcarnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	223.08446	http://www.hmdb.ca/metabolites/HMDB00866	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00866	N-Acetyl-L-tyrosine	C11H13NO4	223.08446	HMDB00866	PFEM_hmdb_metabocards_official	NA	NA
+C14433	Bendiocarb	C11H13NO4	223.0845	NA	KEGG	NA	NA
+C02778	2-Acetamidofluorene	C15H13NO	223.0997	NA	KEGG	NA	NA
+MJ010485	4,5-Dihydro-2,5-diphenyloxazole 	C15H13NO	223.099714	NA	MeJP	NA	NA
+MetaCyc02083	2-acetamidofluorene []	C15H13N1O1	223.099714	53-96-3	metacyc	NA	NA
+8007	synthetic peptide	LWE	223.1025	MH2+	Inhouse_peptide	NA	peptide
+8228	ACE inhibitor	IEW	223.1025	MH2+	Inhouse_peptide	NA	peptide
+MJ010486	Tiletamine 	C12H17NOS	223.103084	NA	MeJP	NA	NA
+MetaCyc02084	N-acetyl -D- glucosaminitol [2-Acetamido-2-deoxy-D-glucitol;D-Glucitol, 2-(acetylamino)-2-deoxy-;2-Acetamido-2-deoxyglucitol;]	C8H17N1O6	223.105587	4271-28-7	metacyc	NA	NA
+C10919	Mepanipyrim	C14H13N3	223.1109	NA	KEGG	NA	NA
+MJ010487	2-(5-Ethyl-2-pyridinyl)-1H-benzimidazole 	C14H13N3	223.110947	NA	MeJP	NA	NA
+MJ010488	Fadrozole 	C14H13N3	223.110947	NA	MeJP	NA	NA
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR265	Nicotinamide adenine di nucleotide F5	NA	223.120075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR265	Nicotinamide adenine di nucleotide F5	NA	223.120075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR265	Nicotinamide adenine di nucleotide F5	NA	223.120075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR265	Nicotinamide adénine di nucléotide F5	F5	223.120075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR265	Nicotinamide adenine di nucleotide F5	NA	223.120075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR265	Nicotinamide adenine di nucleotide F5	F5	223.120075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C12058	Cerulenin	C12H17NO3	223.1208	NA	KEGG	NA	NA
+C13138	beta-Butoxyethyl nicotinate	C12H17NO3	223.1208	NA	KEGG	NA	NA
+C13139	Transferred to D01678	C12H17NO3	223.1208	NA	KEGG	NA	NA
+C16704	Anhalonidine	C12H17NO3	223.1208	NA	KEGG	NA	NA
+MJ010489	1,2,3,4-Tetrahydro-5,6,7-trimethoxy-2-methylisoquinoline; N-De-Me 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010490	1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxy-1-methylisoquinoline 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010491	1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxy-2-methylisoquinoline 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010492	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-2-methylisoquinoline 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010493	2-Amino-5-(4-methoxyphenyl)pentanoic acid 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010494	3,4-Dimethoxyphenethylamine; N-Ac 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010495	Anhalonidine 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010496	Anisomycin, O-De-Ac 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010497	Bucetin 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010498	Bufexamac 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010499	Calycotomine 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010500	Cerulenin 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010501	Etamivan 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010502	Hedycarine 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010503	Norbudrine 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010504	Phenisonone 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010505	Rimiterol 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010506	Spartocytisine 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010507	Spicatine 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010508	Stemoamide 	C12H17NO3	223.120843	NA	MeJP	NA	NA
+MJ010509	Choline; O-(4-Hydroxybenzoyl) 	C12H18NO3(+)	223.120843	NA	MeJP	NA	NA
+MJ010510	Tyrosine, N,N,N-Tri-Me, betaine 	C12H18NO3(+)	223.120843	NA	MeJP	NA	NA
+MetaCyc02085	cerulenin [(2S,3R)-2,3-epoxy-4-oxy-7,10-dodecadienoylamide;]	C12H17N1O3	223.120843	NA	metacyc	NA	NA
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR275	Adenosine monophosphate F2	NA	223.121775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR275	Adenosine monophosphate F2	NA	223.121775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR275	Adenosine monophosphate F2	NA	223.121775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR275	Adenosine monophosphate F2	NA	223.121775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR275	Adenosine monophosphate F2	F2	223.121775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	NA	223.122675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	NA	223.122675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	NA	223.122675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR313	Nicotinamide adénine di nucléotide phosphate F6	F6	223.122675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	NA	223.122675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR313	Nicotinamide adenine di nucleotide phosphate F6	F6	223.122675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR297	Vitamine B6 F2	NA	223.124975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR297	Vitamine B6 F2	NA	223.124975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR297	Vitamine B6 F2	NA	223.124975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR297	Vitamine B6 F2	NA	223.124975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR297	Vitamin B6 F2	F2	223.124975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ010511	1,6,7,8,9,9a-Hexahydro-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide, N1-Me 	C11H17N3O2	223.132076	NA	MeJP	NA	NA
+MJ010512	Murexine 	C11H18N3O2(+)	223.132076	NA	MeJP	NA	NA
+HMDB04087	1-Benzyl-1,2,3,4-tetrahydroisoquinoline	C16H17N	223.13609	http://www.hmdb.ca/metabolites/HMDB04087	HMDB	NA	NA
+HMDB04087	1-Benzyl-1,2,3,4-tetrahydroisoquinoline	C16H17N	223.13609	HMDB04087	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04087	1-Benzyl-1,2,3,4-tetrahydroisoquinoline	C16H17N	223.136093	NA	HMDB2010	NA	NA
+C05201	(R,S)-Tetrahydrobenzylisoquinoline	C16H17N	223.1361	NA	KEGG	NA	NA
+MJ010513	6-Amino-7,8-dihydro-2-hydroxypurine; 6-N-(3-Methylbutyl) 	C10H17N5O	223.14331	NA	MeJP	NA	NA
+C07258	Neostigmine	C12H19N2O2	223.1447	NA	KEGG	NA	NA
+C10868	Tigloidine	C13H21NO2	223.1572	NA	KEGG	NA	NA
+MJ010514	1-Hydroxymethylpyrrolizidine, Tigloyl 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010515	3-Tigloyloxytropane 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010516	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Methyl-2-butenoyl) 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010517	Anodendrine 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010518	Dimoxamine 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010519	Dioscorine; 4'S,5'-Dihydro 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010520	Dumetorine 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010521	Guaiactamine 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010522	Kopsilactone 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010523	Polonicumtoxin C; O-Ac 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010524	Toliprolol 	C13H21NO2	223.157228	NA	MeJP	NA	NA
+MJ010525	2,4-Decadienoic isobutylamide 	C14H25NO	223.193614	NA	MeJP	NA	NA
+MJ010526	6,8-Decadienoic acid, N-(2-Methylpropyl)amide 	C14H25NO	223.193614	NA	MeJP	NA	NA
+MJ010527	Dendrobates Alkaloid 223G 	C14H25NO	223.193614	NA	MeJP	NA	NA
+MJ010528	Dicarprine C; O,N-Di-Me 	C14H25NO	223.193614	NA	MeJP	NA	NA
+MJ010529	2,5-Dialkylpyrrolidines; 2-Butyl-5-heptylpyrrolidine, 1,5-Didehydro 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010530	2,5-Dialkylpyrrolidines; 2-Hexyl-5-pentylpyrrolidine, 5',6'-Didehydro 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010531	2,6-Di-4-pentenylpiperidine, 4',5'-Dihydro 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010532	3-Butyl-5-propylindolizidine 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010533	3-Heptyl-5-methylpyrrolizidine 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010534	3-Hexyl-5-methylindolizidine 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010535	5-Butyl-8-propylindolizidine 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010536	Dendrobates Alkaloid 219A; Tetrahydro 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010537	Dendrobates Alkaloid 223B 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010538	Dendrobates Alkaloid 223C 	C15H29N	223.229999	NA	MeJP	NA	NA
+MJ010539	Dendrobates Alkaloid 223D 	C15H29N	223.229999	NA	MeJP	NA	NA
+8094	peptide derived from porcine collagen	LQGM	223.6017	MH2+	Inhouse_peptide	NA	peptide
+C17379	Lead oxide	PbO	223.9716	NA	KEGG	NA	NA
+MJ010540	Puberulonic acid 	C9H4O7	223.995702	NA	MeJP	NA	NA
+C16455	Radium-224	Ra	224.0202	NA	KEGG	NA	NA
+PJ000059	CC 	C6H12N2O3S2	224.0289	NA	PeJP	NA	NA
+MJ010541	Oxidized thioredoxin 	C6H12N2O3S2	224.028933	NA	MeJP	NA	NA
+MJ010542	2-(1,2-Dioxopropyl)-4,6-dihydroxybenzoic acid 	C10H8O6	224.032087	NA	MeJP	NA	NA
+MJ010543	Chorismic acid; 3,4-Didehydro 	C10H8O6	224.032087	NA	MeJP	NA	NA
+C02980	Hydroxyanthraquinone	C14H8O3	224.0473	NA	KEGG	NA	NA
+MJ010544	1-Hydroxyanthraquinone 	C14H8O3	224.047344	NA	MeJP	NA	NA
+MJ010545	2-Hydroxyanthraquinone 	C14H8O3	224.047344	NA	MeJP	NA	NA
+MetaCyc02086	hydroxyanthraquinone [1-hydroxyanthraquinone;]	C14H8O3	224.047344	NA	metacyc	NA	NA
+MJ010546	Nifuradene 	C8H8N4O4	224.054554	NA	MeJP	NA	NA
+MJ010547	1-Phenazinecarboxylic acid 	C13H8N2O2	224.058577	NA	MeJP	NA	NA
+MJ010548	2,3,3a,4-Tetrahydro-1H-pyrrolo[2,1-c][1,2,4]-benzothiadiazine 5,5-dioxide 	C10H12N2O2S	224.061948	NA	MeJP	NA	NA
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	PFEM_hmdb_metabocards_urine	NA	urine
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	HMDB	NA	NA
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	Inhouse_PFEM	NA	NA
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	13.56	Inhousejuil11	NA	NA
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	PFEM_hmdb_metabocards_blood	NA	blood
+JH161	Sinapinic acid (3,5-dimethoxy-4-hydroxycinnamic acid) [M+H]+	C11H12O5	224.0678	Rtobs13.56	PFEM_hmdb_metabocards_official	NA	NA
+MJ010549	2,4,6-Trihydroxy-5-methyl-3(2H)-benzofuranone, 2,6-Di-Me ether 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010550	2,4,6-Trihydroxy-7-methyl-3(2H)-benzofuranone, 2,6-Di-Me ether 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010551	2-Benzyl-2-hydroxybutanedioic acid 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010552	2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010553	2-Hydroxy-6-hydroxymethyl-3,5-dimethyl-1,4-benzoquinone; ?-O-Ac 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010554	3,4-Dihydro-8-hydroxy-7-hydroxymethyl-6-methoxy-1H-2-benzopyran-1-one 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010555	3,5,6-Trihydroxy-3-methyl-1H-2-benzopyran-4-one, 6-Me ether 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010556	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,5-Di-Me ether 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010557	3-Acetyl-2,6-dihydroxy-4-methoxy-5-methylbenzaldehyde 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010558	3-Formyl-2,4-dihydroxy-6-methylbenzoic acid; Et ester 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010559	4-(1-Butenyl)-2,5-dihydro-2,5-dioxo-3-furanpropanoic acid 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010560	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 1'-Methoxy 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010561	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 7-Me ether, 1'-hydroxy 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010562	?-Citreopyrone 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010563	Coniothyriol 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010564	Convolvulopyrone 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010565	Elenolide 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010566	Macrophic acid 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010567	Multiforisin A 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010568	Plumbagic acid 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010569	Plumbolactone B 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010570	Rosigenin; 6-Epimer, 4',6'-didehydro 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010571	Sepedonin 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MJ010572	Sinapate 	C11H12O5	224.068473	NA	MeJP	NA	NA
+MetaCyc02087	sinapate []	C11H12O5	224.068473	530-59-6	metacyc	NA	NA
+C00482	Sinapate	C11H12O5	224.0685	NA	KEGG	NA	NA
+MJ010573	Propyl 1-(propylthio)propyl disulfide 	C9H20S3	224.072712	NA	MeJP	NA	NA
+C02794	3-Hydroxykynurenine	C10H12N2O4	224.0797	NA	KEGG	NA	NA
+C03227	3-Hydroxy-L-kynurenine	C10H12N2O4	224.0797	NA	KEGG	NA	NA
+C05651	5-Hydroxykynurenine	C10H12N2O4	224.0797	NA	KEGG	NA	NA
+C07312	Stavudine	C10H12N2O4	224.0797	NA	KEGG	NA	NA
+MJ010574	2-(4-Hydroxy-3-nitrophenyl)ethylamine; N-Ac 	C10H12N2O4	224.079706	NA	MeJP	NA	NA
+MJ010575	3-Hydroxykynurenine 	C10H12N2O4	224.079706	NA	MeJP	NA	NA
+MJ010576	Nicotianine 	C10H12N2O4	224.079706	NA	MeJP	NA	NA
+MJ010577	Stavudine 	C10H12N2O4	224.079706	NA	MeJP	NA	NA
+MJ010578	3-Hydroxy-L-kynurenine 	C10H12N2O4	224.079706	NA	MeJP	NA	NA
+MJ010579	5-Hydroxykynurenine 	C10H12N2O4	224.079706	NA	MeJP	NA	NA
+MetaCyc02088	3-hydroxy-L-kynurenine [L-3-hydroxykynurenine;3-hydroxy-kynurenine;]	C10H12N2O4	224.079707	606-14-4	metacyc	NA	NA
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	http://www.hmdb.ca/metabolites/HMDB00732	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	http://www.hmdb.ca/metabolites/HMDB00732	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	http://www.hmdb.ca/metabolites/HMDB00732	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	http://www.hmdb.ca/metabolites/HMDB00732	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	http://www.hmdb.ca/metabolites/HMDB00732	HMDB	NA	NA
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	Dipeptides  ;SYN:Histidyl-proline-diketopiperazine; Histidyl-proline diketopiperazine; Cyclo(his-pro); Cyclo(histidyl-prolyl); His-pro-DKPH2Blood	Inhouse_peptide	NA	peptide
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	http://www.hmdb.ca/metabolites/HMDB00732	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.07971	HMDB00732	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00732	Hydroxykynurenine	C10H12N2O4	224.079712	NA	HMDB2010	NA	NA
+HMDB11631	L-3-Hydroxykynurenine	C10H12N2O4	224.079712	NA	HMDB2010	NA	NA
+HMDB12819	5-Hydroxykynurenine	C10H12N2O4	224.079712	NA	HMDB2010	NA	NA
+CJneg0415	Azelaic acid [(M+Cl)]-	C9H16ClO4	224.082125	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0415	Azelaic acid [(M+Cl)]-	C9H16ClO4	224.082125	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ010580	3-(6-Chloro-3-pyridazinyl)-3,8-diazabicyclo[3.2.1]octane 	C10H13ClN4	224.082874	NA	MeJP	NA	NA
+C00766	Flavanone	C15H12O2	224.0837	NA	KEGG	NA	NA
+C01927	Isoflavanone	C15H12O2	224.0837	NA	KEGG	NA	NA
+C01928	Ketoaldehyde	C2HO2R	224.0837	NA	KEGG	NA	NA
+C02099	(2S)-Flavanone	C15H12O2	224.0837	NA	KEGG	NA	NA
+C02100	(5')ppPur-mRNA	C10H19O16P3R2	224.0837	NA	KEGG	NA	NA
+C02101	Glucomannan longer by one mannose unit	C6H12O6	224.0837	NA	KEGG	NA	NA
+C02103	(S)-2-Haloacid	C2H2O2XR	224.0837	NA	KEGG	NA	NA
+C09321	2'-Hydroxychalcone	C15H12O2	224.0837	NA	KEGG	NA	NA
+C14231	4-Hydroxychalcone	C15H12O2	224.0837	NA	KEGG	NA	NA
+C14232	4'-Hydroxychalcone	C15H12O2	224.0837	NA	KEGG	NA	NA
+C16208	1-Methoxy-2-hydroxyanthracene	C15H12O2	224.0837	NA	KEGG	NA	NA
+MJ010581	2,10,12-Tridecatriene-4,6,8-triyn-1-ol, Ac 	C15H12O2	224.083729	NA	MeJP	NA	NA
+MJ010582	3,5,7,9,11-Tridecapentayne-1,2-diol; Di-Me ether 	C15H12O2	224.083729	NA	MeJP	NA	NA
+MJ010583	3,5-Dimethyl-4-methylenenaphtho[2,3-b]furan-9(4H)-one 	C15H12O2	224.083729	NA	MeJP	NA	NA
+MJ010584	3-(4-Hydroxyphenyl)-1-phenyl-2-propen-1-one 	C15H12O2	224.083729	NA	MeJP	NA	NA
+MJ010585	7-Phenyl-2-heptene-4,6-diyn-1-ol, Ac 	C15H12O2	224.083729	NA	MeJP	NA	NA
+MetaCyc02089	flavanone [2,3-dihydroflavone;]	C15H12O2	224.08373	NA	metacyc	NA	NA
+MetaCyc02090	(2S)-flavanone []	C15H12O2	224.08373	NA	metacyc	NA	NA
+MJ010586	Antibiotic 834B1 	C12H16O2S	224.0871	NA	MeJP	NA	NA
+MJ010587	D-glycero-D-galacto-Heptose; ?-Pyranose-form, Me glycoside 	C8H16O7	224.089602	NA	MeJP	NA	NA
+MJ010588	D-glycero-L-manno-Heptose; ?-Pyranose-form, Me glycoside 	C8H16O7	224.089602	NA	MeJP	NA	NA
+HMDB04328	Temurin	C9H12N4O3	224.09094	http://www.hmdb.ca/metabolites/HMDB04328	HMDB	NA	NA
+MJ010589	Etofylline 	C9H12N4O3	224.09094	NA	MeJP	NA	NA
+MJ010590	Uric acid; 1,3,7,9-Tetra-Me 	C9H12N4O3	224.09094	NA	MeJP	NA	NA
+HMDB04328	Temurin	C9H12N4O3	224.09094	HMDB04328	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04328	Temurin	C9H12N4O3	224.090942	NA	HMDB2010	NA	NA
+7816	ACE inhibitor from chickpea legumin	MDLA	224.09415	MH2+	Inhouse_peptide	NA	peptide
+MJ010591	1-Vinyl-?-carboline; N-Methoxy 	C14H12N2O	224.094963	NA	MeJP	NA	NA
+MJ010592	4-Methoxy-1-vinyl-?-carboline 	C14H12N2O	224.094963	NA	MeJP	NA	NA
+8013	synthetic peptide	LWM	224.1017	MH2+	Inhouse_peptide	NA	peptide
+CJpos0587	Heptylmalonic acid  [(M+Na)]+	C10H18NaO4	224.101875	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0587	Heptylmalonic acid  [(M+Na)]+	C10H18NaO4	224.101875	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0416	Sebacic acid [(M-2H)+Na]-	C10H16O4Na	224.103025	C18rt(min)=7.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0416	Sebacic acid [(M-2H)+Na]-	C10H16O4Na	224.103025	C18rt(min)=7.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ010593	(2,5-Dihydroxyphenyl)acetic acid; 5-Butyl ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010594	1,2,4-Trimethoxy-5-(1-propenyl)benzene, 1'R*,2'R*-Epoxide 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010595	1,2,4-Trimethoxy-5-(1-propenyl)benzene, 1'R*,2'S*-Epoxide 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010596	1,8-Dihydroxy-6-methoxy-3,7-dimethylisochroman 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010597	1-(2,4,5-Trihydroxyphenyl)-1-propanone; Tri-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010598	1-(2,4,5-Trihydroxyphenyl)-2-propanone; Tri-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010599	1-(2,4,6-Trihydroxyphenyl)-1-butanone; 2,4-Di-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010600	1-(3,4,5-Trihydroxyphenyl)-1-propanone; Tri-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010601	1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3-Et, 3'-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010602	2,3-Dihydro-5,6-dihydroxy-2-(1-hydroxy-1-methylethyl)benzofuran, 6-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010603	2,4-Dihydroxy-6-pentylbenzoic acid 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010604	2-Acetyl-5-methoxy-4,6,6-trimethyl-4-cyclohexene-1,3-dione 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010605	2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4'-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010606	3,4-Dihydro-3,4-dihydroxy-2,2-dimethyl-6-methoxy-2H-1-benzopyran 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010607	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010608	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-Ac 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010609	3-(3,5-Dihydroxy-2-methylphenyl)-2-butanol; O2-Formyl 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010610	4-(3,4-Dimethoxyphenyl)-3-butene-1,2-diol 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010611	4-Hydroxy-3-(1-hydroxypentyl)benzoic acid 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010612	4-Vinyl-1,2,3,5-benzenetetrol; Tetra-Me ether 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010613	5,6-Dihydro-4-hydroxy-6-methyl-5-methylene-3-(2-methyl-1-oxobutyl)-2H-pyran-2-one 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010614	6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid; Et ester 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010615	Arthropsadiol B 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010616	Arthropsatriol A; 7-Ketone 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010617	Dhelwangin 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010618	Diplosporin 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010619	Ligustilide; 6,7-Dihydro, 6R*,7R*-dihydroxy, (E)-isomer 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010620	Ligustilide; 6,7-Dihydro, 6R*,7S*-dihydroxy, (E)-isomer 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010621	Ligustilide; 6,7-Dihydro, 6S,7R-dihydroxy 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010622	Ligustilide; 6,7-Dihydro, 6S,7S-dihydroxy 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010623	Ligustilidiol 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010624	Phomapyrone B 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MJ010625	Sordariol 	C12H16O4	224.104859	NA	MeJP	NA	NA
+MetaCyc02091	olivetolic acid [olivetolate;2,4-dihydroxy-6-pentylbenzoic acid;beta-resorcyclic acid;]	C12H16O4	224.104859	NA	metacyc	NA	NA
+C10673	Aspidinol	C12H16O4	224.1049	NA	KEGG	NA	NA
+C16038	2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine	C13H12N4	224.1062	NA	KEGG	NA	NA
+C16039	alpha-Neoendorphin	C13H12N4	224.1062	NA	KEGG	NA	NA
+C16040	beta-Neoendorphin	C13H12N4	224.1062	NA	KEGG	NA	NA
+C16041	Leu-enkephalin	C13H12N4	224.1062	NA	KEGG	NA	NA
+C16042	Met-enkephalin-Arg-Gly-Leu	C13H12N4	224.1062	NA	KEGG	NA	NA
+C16043	Met-enkephalin-Arg-Phe	C13H12N4	224.1062	NA	KEGG	NA	NA
+MJ010626	2,6-Dimethyl-1-heptanol, O-Sulfate 	C9H20O4S	224.108229	NA	MeJP	NA	NA
+7982	synthetic peptide	HRH	224.1085	MH2+	Inhouse_peptide	NA	peptide
+7987	synthetic peptide	RHH	224.1085	MH2+	Inhouse_peptide	NA	peptide
+3093	gliadin 2 exorphin	YPLG	224.11	MH2+	Inhouse_peptide	NA	peptide
+7552	ACE inhibitor	VFPS	224.11	MH2+	Inhouse_peptide	NA	peptide
+MJ010627	1,4-Butanediamine; N-(2,3-Dihydroxybenzoyl) 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+MJ010628	Butalbital 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+MJ010629	N-?-Alanyldopamine 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+MJ010630	Nifenalol 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+MJ010631	Talbutal 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+MJ010632	Vinbarbital 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+MJ010633	Vinylbital 	C11H16N2O3	224.116092	NA	MeJP	NA	NA
+C14277	3,4-Diphenyltetrahydrofuran	C16H16O	224.1201	NA	KEGG	NA	NA
+C17020	Navenone B	C16H16O	224.1201	NA	KEGG	NA	NA
+MJ010634	1,6,8-Hexadecatriene-10,12,14-triyne, 6,7-Epoxide 	C16H16O	224.120115	NA	MeJP	NA	NA
+MJ010635	10-Phenyl-3,5,7,9-decatetraen-2-one 	C16H16O	224.120115	NA	MeJP	NA	NA
+MJ010636	6,8-Hexadecadiene-10,12,14-triynal 	C16H16O	224.120115	NA	MeJP	NA	NA
+MJ010637	Tetrahydro-2,4-diphenylfuran 	C16H16O	224.120115	NA	MeJP	NA	NA
+JH246	Oleuropein N/A	NA	224.1271	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH246	Oleuropein N/A	NA	224.1271	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH246	Oleuropein N/A	NA	224.1271	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH246	Oleuropein N/A	NA	224.1271	14.15	Inhousejuil11	NA	NA
+MJ010638	1,2,3,4,6,7-Hexahydroindolo[2,3-a]quinolizine 	C15H16N2	224.131348	NA	MeJP	NA	NA
+MJ010639	Aloperine; 5,6,11,12,13,14,15,16-Octadehydro 	C15H16N2	224.131348	NA	MeJP	NA	NA
+C01760	(6S,9R)-Vomifoliol	C13H20O3	224.1412	NA	KEGG	NA	NA
+C04166	(+/-)-6-Hydroxy-3-oxo-alpha-ionol	C13H20O3	224.1412	NA	KEGG	NA	NA
+C11512	Methyl jasmonate	C13H20O3	224.1412	NA	KEGG	NA	NA
+C16318	(+)-7-Isomethyljasmonate	C13H20O3	224.1412	NA	KEGG	NA	NA
+MJ010640	1-Butoxy-3-phenoxy-2-propanol 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010641	10-Hydroxy-8-dodecen-11-ynoic acid, Me ester 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010642	11-Hydroxy-4-methyl-2,4,6-dodecatrienoic acid 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010643	13-Oxo-9,11-tridecadienoic acid 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010644	3,11-Dihydroxy-5-megastigmen-9-one, 11-Aldehyde 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010645	3,5-Dihydroxy-6,7-megastigmadien-9-one 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010646	3-Hydroxy-5-megastigmene-7,9-dione 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010647	5,11-Epoxy-9-hydroxy-7-megastigmen-3-one 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010648	5,13-Epoxy-7-megastigmene-3,9-dione; 7,8-Dihydro 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010649	5,6-Epoxy-7-megastigmene-3,9-diol, 9-Ketone 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010650	5,6-Epoxy-7-megastigmene-3,9-diol, 3-Ketone 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010651	5-(2-Hydroxy-2-methylpropylidene)-3-methoxy-2,4,4-trimethyl-2-cyclopenten-1-one 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010652	5-(7-Hydroxy-6-methyloctyl)-2(5H)-furanone; 7'-Ketone 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010653	6,9-Dihydroxy-4,7-megastigmadien-3-one 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010654	6-Hydroxy-7-megastigmene-3,9-dione 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010655	Eremopetasinorol; 6?,7?-Epoxide 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010656	Guaymasol 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010657	Hyalopyrone 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010658	Jasmonic acid; Me ester 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010659	Jhanilactone 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010660	Norannuic acid 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010661	Similin A 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010662	Stegobiol; 2'-Ketone 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MJ010663	p-Mentha-1,3,5-triene-2,3,5-triol; Tri-Me ester 	C13H20O3	224.141244	NA	MeJP	NA	NA
+MetaCyc02092	(+-)-6-hydroxy-3-oxo-&alpha;-ionol []	C13H20O3	224.141245	NA	metacyc	NA	NA
+MetaCyc02093	5,6-epoxy-3-hydroxy-9-apo-&beta;-caroten-9-one []	C13H20O3	224.141245	NA	metacyc	NA	NA
+MetaCyc02094	(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-9-apo-&beta;-caroten-9-one []	C13H20O3	224.141245	NA	metacyc	NA	NA
+MetaCyc02095	(-)-jasmonic acid methyl ester [jasmonic acid methyl ester;methyl jasmonate;]	C13H20O3	224.141245	NA	metacyc	NA	NA
+MJ010664	1H-Imidazole-1-heptanoic acid; Et ester 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010665	3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone; 1''-Hydroxy 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010666	3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone; N-Hydroxy 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010667	Aspergillic acid 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010668	Flavacol; 1-Oxide 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010669	Flavacol; 2''-Hydroxy 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010670	Hexahydro-3-(3-methylbutyl)pyrrolo[1,2-a]pyrazine-1,4-dione 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010671	Isamoxole 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+MJ010672	Loline; N-De-Me, N-(3-methylbutanoyl) 	C12H20N2O2	224.152477	NA	MeJP	NA	NA
+C10571	Aspergillic acid	C12H20N2O2	224.1525	NA	KEGG	NA	NA
+MJ010673	1,7,9,15-Heptadecatetraene-11,13-diyne 	C17H20	224.1565	NA	MeJP	NA	NA
+MJ010674	1,8-Heptadecadiene-11,13,15-triyne 	C17H20	224.1565	NA	MeJP	NA	NA
+HMDB00560	5,8-Tetradecadienoic acid	C14H24O2	224.177628	NA	HMDB2010	NA	NA
+HMDB00560	5,8-Tetradecadienoic acid	C14H24O2	224.17763	http://www.hmdb.ca/metabolites/HMDB00560	HMDB	NA	NA
+MJ010675	1-(2-Hydroxyethyl)-2-isopropenyl-1-methylcyclobutane, 2-Methylpropanoyl 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010676	1-Hydroxy-13-nor-2,6-farnesadien-11-one 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010677	10-Hydroxy-4,10-dimethyl-4,11-dodecadien-2-one; (+)-E-form 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010678	14-Hydroxy-5-tetradecenoic acid; Lactone 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010679	2,6-Dodecadienoic acid, Et ester 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010680	2-Cyclopentene-1-nonanoic acid 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010681	3,5-Dodecadien-1-ol, Ac 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010682	3,5-Tetradecadienoic acid 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010683	4,6-Dimethyl-2,4-dodecadienoic acid 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010684	5,8-Tetradecadienoic acid 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010685	5-(1-Decenyl)dihydro-2(3H)-furanone 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010686	5-Tetradecen-13-olide 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010687	6-Isopropyl-3-methyl-2-(3-oxobutyl)-cyclohexanone 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010688	7,9-Dodecadien-1-ol, Ac 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010689	9,11-Dodecadien-1-ol, Ac 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010690	Bakerol 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010691	Pteroenone 	C14H24O2	224.17763	NA	MeJP	NA	NA
+MJ010692	Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one, 4-Deoxy, 3,4-didehydro 	C14H24O2	224.17763	NA	MeJP	NA	NA
+HMDB00560	5,8-Tetradecadienoic acid	C14H24O2	224.17763	HMDB00560	PFEM_hmdb_metabocards_official	NA	NA
+MJ010693	Anaferine 	C13H24N2O	224.188863	NA	MeJP	NA	NA
+MJ010694	Anahygrine 	C13H24N2O	224.188863	NA	MeJP	NA	NA
+MJ010695	Anapheline 	C13H24N2O	224.188863	NA	MeJP	NA	NA
+MJ010696	Cuscohygrine 	C13H24N2O	224.188863	NA	MeJP	NA	NA
+MJ010697	N-Methylpyrrolidinylhygrine 	C13H24N2O	224.188863	NA	MeJP	NA	NA
+C06183	Anapheline	C13H24N2O	224.1889	NA	KEGG	NA	NA
+C06521	Cuscohygrine	C13H24N2O	224.1889	NA	KEGG	NA	NA
+C11358	(-)-Anaferine	C13H24N2O	224.1889	NA	KEGG	NA	NA
+MJ010698	11-Drimanol 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010699	12-Cadinanol 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010700	2,4,6,8-Tetramethyl-2-undecenal 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010701	3-Pentadecenal 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010702	5,10-Pentadecadien-1-ol 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010703	6,10-Farnesadien-1-ol 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010704	8-Drimanol 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010705	Cyclopentadecanone 	C15H28O	224.214015	NA	MeJP	NA	NA
+MJ010706	1-Hexadecene 	C16H32	224.250401	NA	MeJP	NA	NA
+MJ010707	2-Cyclohexyldecane 	C16H32	224.250401	NA	MeJP	NA	NA
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	224.6570585	MH2+	Inhouse_peptide	NA	peptide
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	224.6570585	MH2+	Inhouse_peptide	NA	peptide
+MJ010708	5-Bromo-1H-indole-2,3-dione 	C8H4BrNO2	224.942541	NA	MeJP	NA	NA
+MJ010709	5-Bromo-2-methyl-5-nitro-1,3-dioxane 	C5H8BrNO4	224.96367	NA	MeJP	NA	NA
+MJ010710	2,4-Dinitrophenyl thiocyanate 	C7H3N3O4S	224.984426	NA	MeJP	NA	NA
+C05706	Se-Propenylselenocysteine Se-oxide	C6H11NO3Se	224.9904	NA	KEGG	NA	NA
+MJ010711	Se-Propylselenocysteine se-oxide 	C6H11NO3Se	224.990415	NA	MeJP	NA	NA
+MJ010712	5-Chloro-6-methoxy-1-methyl-1H-indole-2,3-dione 	C10H8ClNO3	225.01927	NA	MeJP	NA	NA
+MJ010713	Seclazone 	C10H8ClNO3	225.01927	NA	MeJP	NA	NA
+MJ010714	4-Hydroxy-2-piperidinecarboxylic acid, 4-Sulfate 	C6H11NO6S	225.030707	NA	MeJP	NA	NA
+MJ010715	2-Methyl-3,5-dinitrobenzoic acid; Amide 	C8H7N3O5	225.03857	NA	MeJP	NA	NA
+MJ010716	Furazolidone 	C8H7N3O5	225.03857	NA	MeJP	NA	NA
+C07999	Furazolidone	C8H7N3O5	225.0386	NA	KEGG	NA	NA
+C08000	Transferred to D00831	C8H7N3O5	225.0386	NA	KEGG	NA	NA
+MJ010717	3,4-Dihydro-6-(4-hydroxyphenyl)-2H-1,4-thiazine; S,S-Dioxide 	C10H11NO3S	225.045963	NA	MeJP	NA	NA
+C11355	4-Amino-4-deoxychorismate	C10H11NO5	225.0637	NA	KEGG	NA	NA
+C18054	2-Amino-2-deoxyisochorismate	C10H11NO5	225.0637	NA	KEGG	NA	NA
+MJ010718	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Methoxy, 7-Me ether 	C10H11NO5	225.063722	NA	MeJP	NA	NA
+MJ010719	3-Carboxytyrosine 	C10H11NO5	225.063722	NA	MeJP	NA	NA
+MetaCyc02096	4-amino-4-deoxychorismate []	C10H11N1O5	225.063722	97279-79-3	metacyc	NA	NA
+CJpos0588	 N-Acetylcarnosine (and isomer) [(M+H)-(C2H5N)]+	C9H12N3O4	225.074375	C18rt(min)=1.1 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0588	 N-Acetylcarnosine (and isomer) [(M+H)-(C2H5N)]+	C9H12N3O4	225.074375	C18rt(min)=1.1 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ010720	Cyclocytidine 	C9H11N3O4	225.074955	NA	MeJP	NA	NA
+MJ010721	Phosphemide 	C8H12N5OP	225.077946	NA	MeJP	NA	NA
+MJ010722	1-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010723	1-Hydroxyacridone; N-Me 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010724	2,3-Dihydroxy-6-methyl-9H-carbazole; Methylene ether 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010725	2-Hydroxy-9H-carbazole-3-carboxylic acid; 3-Aldehyde, Me ether 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010726	6-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010727	7-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010728	8-Hydroxy-9H-carbazole-3-carboxaldehyde; Me ether 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010729	9H-Carbazole-3-carboxaldehyde; N-Methoxy 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010730	9H-Carbazole-3-carboxylic acid; Me ester 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+MJ010731	Onychine; 8-Methoxy 	C14H11NO2	225.078978	NA	MeJP	NA	NA
+C09228	Murrayanine	C14H11NO2	225.079	NA	KEGG	NA	NA
+C14662	(E)-4-Nitrostilbene	C14H11NO2	225.079	NA	KEGG	NA	NA
+MJ010732	Destomic acid 	C7H15NO7	225.084851	NA	MeJP	NA	NA
+CJneg0417	Azelaic acid [(M+Cl)]- (13C)	C813CH16ClO4	225.085425	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0417	Azelaic acid [(M+Cl)]- (13C)	C813CH16ClO4	225.085425	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ010733	Aciclovir 	C8H11N5O3	225.086189	NA	MeJP	NA	NA
+C06810	Acyclovir	C8H11N5O3	225.0862	NA	KEGG	NA	NA
+MJ010734	2-(2-Hydroxy-5-methylphenyl)-2H-benzotriazole 	C13H11N3O	225.090211	NA	MeJP	NA	NA
+MJ010735	Macrorungine 	C13H11N3O	225.090211	NA	MeJP	NA	NA
+MJ010736	3-(3,4-Dihydroxyphenyl)-2-hydroxy-2-methylpropanoic acid, 3'-Me ether, amide 	C11H15NO4	225.100107	NA	MeJP	NA	NA
+MJ010737	3-Hydroxy-4,5-dimethoxyphenethylamineyl 	C11H15NO4	225.100107	NA	MeJP	NA	NA
+MJ010738	Pyridoxine; O1''-Me, O2''-Ac 	C11H15NO4	225.100107	NA	MeJP	NA	NA
+MJ010739	Strychnovoline 	C11H15NO4	225.100107	NA	MeJP	NA	NA
+C11263	6-Benzylaminopurine	C12H11N5	225.1014	NA	KEGG	NA	NA
+MJ010740	Adenine; 6N-Benzyl 	C12H11N5	225.101445	NA	MeJP	NA	NA
+MetaCyc02097	benzyladenine []	C12H11N5	225.101445	NA	metacyc	NA	NA
+MJ010741	Cairomycin B 	C10H15N3O3	225.111341	NA	MeJP	NA	NA
+MJ010742	(3-Aminopropyl)(diethoxymethyl)phosphinic acid 	C8H20NO4P	225.112994	NA	MeJP	NA	NA
+MJ010743	10-(3-Pyridinyl)-3,5,7,9-decatetraen-2-one 	C15H15NO	225.115364	NA	MeJP	NA	NA
+MJ010744	2-Phenylethylamine; N-Benzoyl 	C15H15NO	225.115364	NA	MeJP	NA	NA
+MJ010745	Oletimol 	C15H15NO	225.115364	NA	MeJP	NA	NA
+MJ010746	Ipohardine 	C15H16NO(+)	225.115364	NA	MeJP	NA	NA
+C15043	2-[2-(4-Pyridinyl)-1-butenyl]phenol	C15H15NO	225.1154	NA	KEGG	NA	NA
+C17019	Navenone A	C15H15NO	225.1154	NA	KEGG	NA	NA
+MJ010747	Heteromine H; N2-Me 	C9H15N5O2	225.122574	NA	MeJP	NA	NA
+7649	ACE inhibitor from red algae	LRY	225.124	MH2+	Inhouse_peptide	NA	peptide
+7821	ACE inhibitor from rapeseed	RIY	225.124	MH2+	Inhouse_peptide	NA	peptide
+MJ010748	Stilbenemidine 	C14H15N3	225.126597	NA	MeJP	NA	NA
+MetaCyc02098	4-dimethylaminophenylazobenzene [4-(dimethylamino)azobenzene;]	C14H15N3	225.126597	NA	metacyc	NA	NA
+C03764	4-(Dimethylamino)azobenzene	C14H15N3	225.1266	NA	KEGG	NA	NA
+C10914	Cyprodinil	C14H15N3	225.1266	NA	KEGG	NA	NA
+MJ010749	1-(3,4,5-Trimethoxyphenyl)-2-propylamine 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010750	3-Hydroxy-4,5-dimethoxyphenethylamine; N-Di-Me 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010751	8-Azabicyclo[3.2.1]octane-3,6-diol, O3-Tigloyl 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010752	Colterol 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010753	Macromerine 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010754	Mescaline; N-Me 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010755	Metiprenaline 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010756	Prenalterol 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+MJ010757	Terbutaline 	C12H19NO3	225.136493	NA	MeJP	NA	NA
+C07129	Terbutaline	C12H19NO3	225.1365	NA	KEGG	NA	NA
+C07533	Prenalterol	C12H19NO3	225.1365	NA	KEGG	NA	NA
+C08310	N-Methylmescaline	C12H19NO3	225.1365	NA	KEGG	NA	NA
+MJ010758	Piperacetam 	C11H19N3O2	225.147726	NA	MeJP	NA	NA
+MJ010759	1,2-Diphenylethylamine, N-Di-Me 	C16H19N	225.151749	NA	MeJP	NA	NA
+C14186	Prometon	C10H19N5O	225.159	NA	KEGG	NA	NA
+MJ010760	8,10-Diethyllobelidiol; Diketone, N-De-Me 	C13H23NO2	225.172878	NA	MeJP	NA	NA
+MJ010761	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Methylbutanoyl) 	C13H23NO2	225.172878	NA	MeJP	NA	NA
+MJ010762	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(S-2-Methylbutanoyl) 	C13H23NO2	225.172878	NA	MeJP	NA	NA
+MJ010763	Adalinine 	C13H23NO2	225.172878	NA	MeJP	NA	NA
+MJ010764	Pumiliotoxin 209F; 12-Hydroxy 	C13H23NO2	225.172878	NA	MeJP	NA	NA
+MJ010765	Pumiliotoxin 209F; 7?-Hydroxy 	C13H23NO2	225.172878	NA	MeJP	NA	NA
+MJ010766	Decahydro-2,5,8-trimethyl-2H-1-oxa-4,7,9b-triazaphenalene 	C12H23N3O	225.184112	NA	MeJP	NA	NA
+MJ010767	Esaprazole 	C12H23N3O	225.184112	NA	MeJP	NA	NA
+MJ010768	2-Amino-11,13-tetradecadien-3-ol 	C14H27NO	225.209264	NA	MeJP	NA	NA
+MJ010769	2-Amino-4,13-tetradecadien-3-ol 	C14H27NO	225.209264	NA	MeJP	NA	NA
+MJ010770	2-Amino-5,7-tetradecadien-3-ol 	C14H27NO	225.209264	NA	MeJP	NA	NA
+MJ010771	2-Decenoic acid, 2-Methylpropylamide (E-) 	C14H27NO	225.209264	NA	MeJP	NA	NA
+MJ010772	Plumerinine 	C14H27NO	225.209264	NA	MeJP	NA	NA
+MJ010773	2,5-Dialkylpyrrolidines; 2-Butyl-5-heptylpyrrolidine 	C15H31N	225.245649	NA	MeJP	NA	NA
+MJ010774	2,5-Dialkylpyrrolidines; 2-Hexyl-5-pentylpyrrolidine 	C15H31N	225.245649	NA	MeJP	NA	NA
+MJ010775	2-Methyl-6-nonylpiperidine 	C15H31N	225.245649	NA	MeJP	NA	NA
+2834	papain inhibitor	GGYR	225.603	MH2+	Inhouse_peptide	NA	peptide
+C15235	Antimony trichloride	SbCl3	225.8104	NA	KEGG	NA	NA
+MJ010776	3,4-Dibromo-3-buten-2-one 	C4H4Br2O	225.86289	NA	MeJP	NA	NA
+C02084	Tetrathionate	H2S4O6	225.8734	NA	KEGG	NA	NA
+C02085	Thioglucoside	C6H11O5SR	225.8734	NA	KEGG	NA	NA
+MetaCyc02099	S4O62- [S4O6-2;tetrathionate;tetrathionic acid;thioperoxydisulfuric acid;]	H2O6S4	225.873421	NA	metacyc	NA	NA
+C12835	2,5-Dichloro-4-oxohex-2-enedioate	C6H4Cl2O5	225.9436	NA	KEGG	NA	NA
+MJ010777	2,3-Dichloro-1,4-naphthoquinone 	C10H4Cl2O2	225.958834	NA	MeJP	NA	NA
+MJ010778	Oltipraz 	C8H6N2S3	225.96931	NA	MeJP	NA	NA
+MJ010779	3-Methyl-6-(2-methylpropyl)-1,2,4,5-tetrathiane 	C7H14S4	225.997833	NA	MeJP	NA	NA
+MJ010780	5-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H7ClO4	226.003286	NA	MeJP	NA	NA
+MJ010781	3-(2-Amino-3-chlorophenyl)-4-chloro-1H-pyrrole 	C10H8Cl2N2	226.006453	NA	MeJP	NA	NA
+C15397	6-(2-Chloroallylthio)purine	C8H7ClN4S	226.008	NA	KEGG	NA	NA
+MJ010782	7-Chloro-3,4-dihydro-3-nitro-2(1H)-quinolinone 	C9H7ClN2O3	226.014519	NA	MeJP	NA	NA
+CJpos0589	Dihydroxyphenylethyleneglycol isomer [(M+K)+(H2O)]+	C8H12KO5	226.023775	C18rt(min)=5.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0589	Dihydroxyphenylethyleneglycol isomer [(M+K)+(H2O)]+	C8H12KO5	226.023775	C18rt(min)=5.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C16456	Radium-226	Ra	226.0254	NA	KEGG	NA	NA
+MJ010783	Nifuraldezone 	C7H6N4O5	226.033819	NA	MeJP	NA	NA
+MJ010784	Alclofenac 	C11H11ClO3	226.039671	NA	MeJP	NA	NA
+MJ010785	8-(Methylsulfinyl)-1,7-tridecadiene-3,5,9,11-tetrayne 	C14H10OS	226.045235	NA	MeJP	NA	NA
+C00251	Chorismate	C10H10O6	226.0477	NA	KEGG	NA	NA
+C00254	Prephenate	C10H10O6	226.0477	NA	KEGG	NA	NA
+C00885	Isochorismate	C10H10O6	226.0477	NA	KEGG	NA	NA
+C00886	L-Alanyl-tRNA	C13H22NO11PR2	226.0477	NA	KEGG	NA	NA
+MJ010786	2,4-Dihydroxy-6-(1-hydroxy-2-oxopropyl)benzoic acid 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010787	3,4-Dihydro-3,4,6,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010788	3,4-Dihydroxy-1,2-benzenedicarboxylic acid; Di-Me ether 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010789	4,5-Dihydroxy-1,2-benzenedicarboxylic acid; Di-Me ether 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010790	4,5-Dihydroxy-1,3-benzenedicarboxylic acid; Di-Me ether 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010791	Carlic acid 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010792	Chorismic acid 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010793	Thevefolic acid B 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010794	Chorismate 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010795	Isochorismate 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MJ010796	Prephenate 	C10H10O6	226.047738	NA	MeJP	NA	NA
+MetaCyc02100	prephenate []	C10H10O6	226.047738	126-49-8	metacyc	NA	NA
+MetaCyc02101	isochorismate [Isochorismic acid;]	C10H10O6	226.047738	22642-82-6	metacyc	NA	NA
+MetaCyc02102	chorismate [chorismic acid;]	C10H10O6	226.047738	55508-12-8	metacyc	NA	NA
+HMDB12199	Chorismate	C10H10O6	226.047745	NA	HMDB2010	NA	NA
+HMDB12283	Prephenate	C10H10O6	226.047745	NA	HMDB2010	NA	NA
+MJ010797	Aminochlorthenoxazin 	C10H11ClN2O2	226.050905	NA	MeJP	NA	NA
+MJ010798	2-(4-Aminophenyl)benzothiazole 	C13H10N2S	226.056469	NA	MeJP	NA	NA
+MJ010799	2-Amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid 	C9H10N2O5	226.058971	NA	MeJP	NA	NA
+MJ010800	?-Amino-2-carboxy-6-oxo-4-pyridinepropanoic acid 	C9H10N2O5	226.058971	NA	MeJP	NA	NA
+MJ010801	?-Amino-6-carboxy-2-oxo-3-pyridinepropanoic acid 	C9H10N2O5	226.058971	NA	MeJP	NA	NA
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	HMDB	NA	NA
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	Inhouse_PFEM	NA	NA
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.058973	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	PFEM_hmdb_metabocards_urine	NA	urine
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	HMDB	NA	NA
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	226.058975	NA	HMDB2010	NA	NA
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	Inhouse_PFEM	NA	NA
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	PFEM_hmdb_metabocards_blood	NA	blood
+TEST016	Nitrotyrosine	C9H10N2O5	226.058975	http://www.hmdb.ca/metabolites/HMDB01904	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	226.05898	http://www.hmdb.ca/metabolites/HMDB01904	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	226.05898	http://www.hmdb.ca/metabolites/HMDB01904	HMDB	NA	NA
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	226.05898	NA  ;SYN:(2S)-2-acetamido-5-aminopentanoic acid; AOR; N(2)-acetyl-L-ornithine; N2-Acetyl-L-ornithine; (2S)-2-acetamido-5-aminopentanoate; Acetyl-OrnithineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	226.05898	http://www.hmdb.ca/metabolites/HMDB01904	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01904	3-Nitrotyrosine	C9H10N2O5	226.05898	HMDB01904	PFEM_hmdb_metabocards_official	NA	NA
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.059	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.059	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.059	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR016	3-Nitrotyrosine	C9H10N2O5	226.059	Wishlist	Inhousejuil11	NA	NA
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR348	3-Nitrotyrosine F1	NA	226.061275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR348	3-Nitrotyrosine F1	NA	226.061275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR348	3-Nitrotyrosine F1	NA	226.061275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR348	3-Nitrotyrosine F1	NA	226.061275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR348	3-Nitrotyrosine F1	C9H10N2O6	226.061275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ010802	1,8,9-Anthracenetriol 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010803	1-Hydroxy-3-methylxanthone 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010804	2,4-Dihydroxy-1H-phenalen-1-one; 2-Me ether 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010805	2-Ethylnaphtho[2,3-b]furan-4,9-dione 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010806	2-Hydroxyxanthone; Me ether 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010807	3-Methyl-2H-naphtho[2,3-b]pyran-5,10-dione 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010808	4-Hydroxyxanthone; Me ether 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010809	Arnocoumarin 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010810	Maturinone 	C14H10O3	226.062994	NA	MeJP	NA	NA
+MJ010811	Oroselone 	C14H10O3	226.062994	NA	MeJP	NA	NA
+C06831	Anthralin	C14H10O3	226.063	NA	KEGG	NA	NA
+C11446	4-Dihydroxyethyl-8,9-epoxy-enediyne	C14H10O3	226.063	NA	KEGG	NA	NA
+MJ010812	2,4-Dihydroxy-3,5,6-trimethylbenzenecarbothioic acid; S-Me ester 	C11H14O3S	226.066365	NA	MeJP	NA	NA
+MJ010813	6-Chloro-5-fluoro-?-methyl-1H-indole-1-ethanamine 	C11H12ClFN2	226.067304	NA	MeJP	NA	NA
+CJneg0418	Hexose [(M-H)+(HCOOH)]-	C7H13O8	226.069425	C18rt(min)=0.92 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0418	Hexose [(M-H)+(HCOOH)]-	C7H13O8	226.069425	C18rt(min)=0.92 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C16365	5-Acetylamino-6-formylamino-3-methyluracil	C8H10N4O4	226.0702	NA	KEGG	NA	NA
+MJ010814	Nifursemizone 	C8H10N4O4	226.070204	NA	MeJP	NA	NA
+HMDB11105	5-Acetylamino-6-formylamino-3-methyluracil	C8H10N4O4	226.070206	NA	HMDB2010	NA	NA
+MJ010815	1,6-Phenazinediol; Mono-Me ether 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010816	1-Acetyl-7-hydroxy-?-carboline 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010817	1-Acetyl-8-hydroxy-?-carboline 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010818	1-Methyl-?-carboline-3-carboxylic acid 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010819	?-Carboline-1-carboxylic acid; Me ester 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010820	?-Carboline-3-carboxylic acid; 2-Me 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010821	?-Carboline-7-carboxylic acid; Me ester 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010822	Kumujancine 	C13H10N2O2	226.074227	NA	MeJP	NA	NA
+MJ010823	Methallatal 	C10H14N2O2S	226.077598	NA	MeJP	NA	NA
+CJneg0419	Azelaic acid [(M+Cl)]- (37Cl)	C9H16Cl037ClO4	226.079125	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0419	Azelaic acid [(M+Cl)]- (37Cl)	C9H16Cl037ClO4	226.079125	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C09780	Genipin	C11H14O5	226.0841	NA	KEGG	NA	NA
+MJ010824	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-Ac 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010825	1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether, Ac 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010826	1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanone; 3,5-Di-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010827	1-(3-Methoxy-4,5-methylenedioxyphenyl)-1,2-propanediol 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010828	2',3',4',6'-Tetrahydroxyacetophenone; 3',4',6'-Tri-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010829	2,2',4',6'-Tetrahydroxy-3'-methylacetophenone; 4',6'-Di-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010830	2,3,4,5-Tetrahydroxybenzaldehyde; Tetra-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010831	3,4,5-Trihydroxybenzoic acid; Tri-Me ether, Me ester 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010832	3-(2,3,4-Trihydroxyphenyl)propanoic acid; 3,4-Di-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010833	3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 4',5'-Methylene, 3'-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010834	3-Carboxy-5-propyl-2-furanpropanoic acid 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010835	3-Hydroxy-1-(3,4,5-trihydroxyphenyl)-1-propanone; 3',5'-Di-Me ether 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010836	3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propanoic acid, Me ester 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010837	3-Methyl-2,5-furandipropanoic acid 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010838	4-Hydroxy-3,5-dimethoxy-4-(2-oxopropyl)-2,5-cyclohexadien-1-one 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010839	Chlamydosporol 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010840	Cladobotrin II; 3''-Hydroxy, 1'-alcohol 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010841	Dunnisinin 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010842	Geniposidic acid; Aglycone, Me ester 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010843	Isochlamydosporol 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010844	Loganic acid; Aglycone, 7-ketone, Me ester 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010845	Massarilactone A 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010846	Massarilactone B 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010847	Multicolic acid; 5'-Deoxy 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010848	Multiforisin A; 1''-Alcohol 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010849	Papyracillic acid 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010850	Pyrenocine A; 2',3'-Dihydro, 3'-hydroxy 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010851	Rosigenin 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010852	Sarracenin 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010853	Verbenalol 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010854	Xialenone C 	C11H14O5	226.084123	NA	MeJP	NA	NA
+MJ010855	Meridianin A 	C12H10N4O	226.08546	NA	MeJP	NA	NA
+MJ010856	6-Methyl-1,4-heptanediol, 4-O-Sulfate 	C8H18O5S	226.087494	NA	MeJP	NA	NA
+MJ010857	6-Methyl-2,5-heptanediol, 5-Sulfate 	C8H18O5S	226.087494	NA	MeJP	NA	NA
+CJpos0590	Porphobilinogen [(M+H)]+	C10H15N2O4	226.094775	C18rt(min)=4.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0590	Porphobilinogen [(M+H)]+	C10H15N2O4	226.094775	C18rt(min)=4.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+3184	dipeptidyl-aminopeptidase IV inhibitor	HA	226.095	celiac toxic	Inhouse_peptide	NA	peptide
+7835	ACE inhibitor	AH	226.095	immunomodulating	Inhouse_peptide	NA	peptide
+7886	peptide derived from egg white albumin	AH	226.095	antibacterial	Inhouse_peptide	NA	peptide
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09535	Short chain acyl carnitines  ;SYN:4-(N-Trimethylamino)butyrate; 4-Butyrobetaine; 4-Trimethylammoniobutanoate; Actinine; Butyrobetaine; Deoxycarnitine; gamma-Butyrobetaine; 4-Trimethylammoniobutanoic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB00245	Porphobilinogen	C10H14N2O4	226.095352	NA	HMDB2010	NA	NA
+MJ010858	Porphobilinogen 	C10H14N2O4	226.095356	NA	MeJP	NA	NA
+MJ010859	2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoic acid 	C10H14N2O4	226.095356	NA	MeJP	NA	NA
+MJ010860	Carbidopa 	C10H14N2O4	226.095356	NA	MeJP	NA	NA
+MJ010861	Proxibarbal 	C10H14N2O4	226.095356	NA	MeJP	NA	NA
+MJ010862	Valofane 	C10H14N2O4	226.095356	NA	MeJP	NA	NA
+MetaCyc02103	porphobilinogen []	C10H14N2O4	226.095357	487-90-1	metacyc	NA	NA
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	http://www.hmdb.ca/metabolites/HMDB00245	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	http://www.hmdb.ca/metabolites/HMDB00245	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	http://www.hmdb.ca/metabolites/HMDB00245	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	http://www.hmdb.ca/metabolites/HMDB00245	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	http://www.hmdb.ca/metabolites/HMDB00245	HMDB	NA	NA
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	http://www.hmdb.ca/metabolites/HMDB00245	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00245	Porphobilinogen	C10H14N2O4	226.09537	HMDB00245	PFEM_hmdb_metabocards_official	NA	NA
+C00931	Porphobilinogen	C10H14N2O4	226.0954	NA	KEGG	NA	NA
+CJneg0420	Porphobilinogen [(M-H)]-	C10H13N2O4	226.095925	C18rt(min)=4.51 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0420	Porphobilinogen [(M-H)]-	C10H13N2O4	226.095925	C18rt(min)=4.51 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ010863	5-(1H-Imidazol-2-yl)-1H-tetrazole; N1-Benzyl 	C11H10N6	226.096694	NA	MeJP	NA	NA
+FL6F19NS0001	7-Hydroxyflavan	C15H14O2	226.09937	38481-95-7	knapsack	NA	NA
+MJ010864	1-(2-Hydroxyphenyl)-3-phenyl-1-propanone 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010865	1-(3,5-Dihydroxy-4-methylphenyl)-2-phenylethylene 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010866	1-Phenylethanol, Benzoyl 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010867	14-Nordehydrocalohastine 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010868	2,4,6,12-Tetradecatetraene-8,10-diynoic acid, Me ester 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010869	2,8,10,12-Tridecatetraene-4,6-diyn-1-ol, Ac 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010870	2-Prenyl-1,4-naphthoquinone 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010871	3,5-Dihydroxystilbene, Mono-Me ether 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010872	3,5-Tridecadiene-7,9,11-triyn-1-ol, Ac 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MJ010873	7-Hydroxyflavan 	C15H14O2	226.099379	NA	MeJP	NA	NA
+MetaCyc02104	pinosylvin monomethylether []	C15H14O2	226.09938	NA	metacyc	NA	NA
+MetaCyc02105	(2S)-flavan-4-ol []	C15H14O2	226.09938	NA	metacyc	NA	NA
+C02345	(2S)-Flavan-4-ol	C15H14O2	226.0994	NA	KEGG	NA	NA
+C02347	Phosphomannan	C6H12O6	226.0994	NA	KEGG	NA	NA
+C09757	7-Hydroxyflavan	C15H14O2	226.0994	NA	KEGG	NA	NA
+C10276	Pinosylvin methyl ether	C15H14O2	226.0994	NA	KEGG	NA	NA
+C10325	Deoxylapachol	C15H14O2	226.0994	NA	KEGG	NA	NA
+C13632	4,4'-Dihydroxy-alpha-methylstilbene	C15H14O2	226.0994	NA	KEGG	NA	NA
+C15598	Favan-3-ol	C15H14O2	226.0994	NA	KEGG	NA	NA
+HMDB00033	Carnosine	C9H14N4O3	226.10658	http://www.hmdb.ca/metabolites/HMDB00033	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00033	Carnosine	C9H14N4O3	226.10658	http://www.hmdb.ca/metabolites/HMDB00033	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00033	Carnosine	C9H14N4O3	226.10658	http://www.hmdb.ca/metabolites/HMDB00033	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00033	Carnosine	C9H14N4O3	226.10658	http://www.hmdb.ca/metabolites/HMDB00033	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00033	Carnosine	C9H14N4O3	226.10658	http://www.hmdb.ca/metabolites/HMDB00033	HMDB	NA	NA
+HMDB00033	Carnosine	C9H14N4O3	226.10658	Short chain acyl carnitines  ;SYN:(+/-)-Propionylcarnitine chloride; (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salt; 3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt; L-Propionylcarnitine; O-Propanoylcarnitine; O-Propionylcarnitine; Propionyl carnitine; propionyl-carnitine;Propionyl-l-carnitineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00033	Carnosine	C9H14N4O3	226.10658	http://www.hmdb.ca/metabolites/HMDB00033	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00033	Carnosine	C9H14N4O3	226.10658	HMDB00033	PFEM_hmdb_metabocards_official	NA	NA
+LABER022	carnosine	NA	226.106583	RT 1.72	PFEM_hmdb_metabocards_urine	NA	urine
+LABER022	carnosine	NA	226.106583	RT 1.72	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER022	carnosine	NA	226.106583	RT 1.72	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER022	carnosine	NA	226.106583	RT 1.72	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER022	carnosine	NA	226.106583	RT 1.72	HMDB	NA	NA
+HMDB00033	Carnosine	C9H14N4O3	226.106583	NA	HMDB2010	NA	NA
+LABER022	carnosine	NA	226.106583	RT 1.72	Inhouse_PFEM	NA	NA
+LABER022	carnosine	NA	226.106583	RT 1.72	Inhousejuil11	NA	NA
+LABER022	carnosine	NA	226.106583	RT 1.72	PFEM_hmdb_metabocards_blood	NA	blood
+LABER022	carnosine	NA	226.106583	RT 1.72	PFEM_hmdb_metabocards_official	NA	NA
+MJ010874	Carnosine 	C9H14N4O3	226.10659	NA	MeJP	NA	NA
+MJ010875	Nimorazole 	C9H14N4O3	226.10659	NA	MeJP	NA	NA
+MetaCyc02106	carnosine [ignotine;N-&beta;-alanyl-L-histidine;]	C9H14N4O3	226.10659	NA	metacyc	NA	NA
+C00386	Carnosine	C9H14N4O3	226.1066	NA	KEGG	NA	NA
+PJ000060	AH 	C9H14N4O3	226.1066	NA	PeJP	NA	NA
+16	Actomyosin	SLYA	226.108	MH2+	Inhouse_peptide	NA	peptide
+C07205	Metyrapone	C14H14N2O	226.1106	NA	KEGG	NA	NA
+MJ010876	2-Methyl-1,2-di-3-pyridinyl-1-propanone 	C14H14N2O	226.110613	NA	MeJP	NA	NA
+MJ010877	3-(2-Propyl-5-oxazolyl)-1H-indole 	C14H14N2O	226.110613	NA	MeJP	NA	NA
+MJ010878	4-Methoxy-1-vinyl-?-carboline; Dihydro 	C14H14N2O	226.110613	NA	MeJP	NA	NA
+MJ010879	Prothracarcin 	C14H14N2O	226.110613	NA	MeJP	NA	NA
+MetaCyc02107	metyrapone [2-methyl-1,2-dipyridin-3-yl-propan-1-one;metopirone;]	C14H14N2O1	226.110613	NA	metacyc	NA	NA
+MJ010880	Tamitinol 	C11H18N2OS	226.113983	NA	MeJP	NA	NA
+CJpos0591	Creatinine (and isomer) [(2M+H)]+	C8H15N6O2	226.117275	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0591	Creatinine (and isomer) [(2M+H)]+	C8H15N6O2	226.117275	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ010881	1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one, 1-Ac 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010882	1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 1-Et, 5'-Me ether 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010883	11,12,13-Trinor-2,6-farnesadiene-1,10-dioic acid 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010884	2,6-Octadiene-1,8-diol, Di-Ac 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010885	2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010886	3-(1-Hydroxy-2,4-dimethylpentyl)-4-methyl-2,5-furandione 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010887	Allixin 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010888	Arthropsatriol A 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010889	Butopyronoxyl 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010890	Jasmonic acid; 11R-Hydroxy 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010891	Jasmonic acid; 11S-Hydroxy 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010892	Jasmonic acid; 8?-Hydroxy 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010893	Pesthetoxin 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010894	Senkyunolide A; 6,7-Dihydro, 6?,7?-dihydroxy 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010895	Senkyunolide A; 6,7-Dihydro, 6?,7?-dihydroxy 	C12H18O4	226.120509	NA	MeJP	NA	NA
+MJ010896	p-Mentha-1,3,5-triene-2,3,5,7-tetrol; 2,3-Di-Me-ether 	C12H18O4	226.120509	NA	MeJP	NA	NA
+C11801	4-Methylburimamide	C10H18N4S	226.1252	NA	KEGG	NA	NA
+C07422	Pentobarbital	C11H18N2O3	226.1317	NA	KEGG	NA	NA
+C07536	Amobarbital	C11H18N2O3	226.1317	NA	KEGG	NA	NA
+MJ010897	Amobarbital 	C11H18N2O3	226.131742	NA	MeJP	NA	NA
+MJ010898	Cyclo(4-hydroxyprolylleucyl) 	C11H18N2O3	226.131742	NA	MeJP	NA	NA
+MJ010899	Mutaaspergillic acid 	C11H18N2O3	226.131742	NA	MeJP	NA	NA
+MJ010900	Pentobarbital 	C11H18N2O3	226.131742	NA	MeJP	NA	NA
+MetaCyc02108	amobarbital [amytal;]	C11H18N2O3	226.131742	NA	metacyc	NA	NA
+MJ010901	1,8-Hexadecadiene-10,12,14-triyn-7-ol 	C16H18O	226.135765	NA	MeJP	NA	NA
+MJ010902	2,9,15-Hexadecatriene-4,6-diynal 	C16H18O	226.135765	NA	MeJP	NA	NA
+MJ010903	6,8,14-Hexadecatriene-10,12-diyn-1-al 	C16H18O	226.135765	NA	MeJP	NA	NA
+MJ010904	6,8-Hexadecadiene-10,12,14-triyn-1-ol 	C16H18O	226.135765	NA	MeJP	NA	NA
+MJ010905	1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine 	C15H18N2	226.146998	NA	MeJP	NA	NA
+MJ010906	Aurantioclavine 	C15H18N2	226.146998	NA	MeJP	NA	NA
+MJ010907	Pirlindole 	C15H18N2	226.146998	NA	MeJP	NA	NA
+C07540	6-Methylergoline	C15H18N2	226.147	NA	KEGG	NA	NA
+MJ010908	3,11-Dihydroxy-5-megastigmen-9-one 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010909	3,6-Dihydroxy-7-megastigmen-9-one 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010910	3,6-Epoxy-7-megastigmene-5,9-diol 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010911	3-(1-Hydroxyoctyl)-5-methyl-2(5H)-furanone 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010912	3-Oxo-2-pentylcyclopentaneacetic acid, Me ester 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010913	5,6-Epoxy-7-megastigmene-3,9-diol 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010914	5,8-Epoxy-6-megastigmene-3,9-diol 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010915	5-(3-Ethyl-4-methyl-1-pentenyl)-4,5-dihydro-3-hydroxy-5-methyl-2(3H)furanone 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010916	5-(7-Hydroxy-6-methyloctyl)-2(5H)-furanone 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010917	6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010918	6,9-Dihydroxy-7-megastigmen-3-one 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010919	6,9-Epoxy-4-megastigmene-3,9-diol 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010920	Durgamone 	C13H22O3	226.156894	NA	MeJP	NA	NA
+MJ010921	Stegobiol 	C13H22O3	226.156894	NA	MeJP	NA	NA
+C04277	1,8-Diazacyclotetradecane-2,9-dione	C12H22N2O2	226.1681	NA	KEGG	NA	NA
+MJ010922	3,6-Bis(1-methylpropyl)-2,5-piperazinedione 	C12H22N2O2	226.168127	NA	MeJP	NA	NA
+MJ010923	Crotetamide 	C12H22N2O2	226.168127	NA	MeJP	NA	NA
+MJ010924	Cyclo(isoleucylleucyl) 	C12H22N2O2	226.168127	NA	MeJP	NA	NA
+MetaCyc02109	6-aminohexanoate cyclic dimer [Acd;]	C12H22N2O2	226.168128	NA	metacyc	NA	NA
+MetaCyc02110	1,8-diazacyclotetradecane-2,9-dione []	C12H22N2O2	226.168128	NA	metacyc	NA	NA
+MJ010925	1,3,7,9,13-Heptadecapentaen-11-yne 	C17H22	226.17215	NA	MeJP	NA	NA
+MJ010926	1,7,9,13,15-Heptadecapentaen-11-yne 	C17H22	226.17215	NA	MeJP	NA	NA
+MJ010927	1,7,9-Heptadecatriene-11,13-diyne 	C17H22	226.17215	NA	MeJP	NA	NA
+MJ010928	1,8,15-Heptadecatriene-11,13-diyne 	C17H22	226.17215	NA	MeJP	NA	NA
+MJ010929	2,8,10-Heptadecatriene-4,6-diyne 	C17H22	226.17215	NA	MeJP	NA	NA
+HMDB00499	5-Tetradecenoic acid	C14H26O2	226.19328	http://www.hmdb.ca/metabolites/HMDB00499	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00499	5-Tetradecenoic acid	C14H26O2	226.19328	http://www.hmdb.ca/metabolites/HMDB00499	HMDB	NA	NA
+HMDB00521	5Z-Tetradecenoic acid	C14H26O2	226.19328	http://www.hmdb.ca/metabolites/HMDB00521	HMDB	NA	NA
+HMDB02000	Myristoleic acid	C14H26O2	226.19328	http://www.hmdb.ca/metabolites/HMDB02000	HMDB	NA	NA
+HMDB05051	Tsuzuic acid	C14H26O2	226.19328	http://www.hmdb.ca/metabolites/HMDB05051	HMDB	NA	NA
+MJ010930	1-Methyl-4-(4-methylpentyl)cyclohexanecarboxylic acid 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010931	11-Dodecen-1-ol; Ac 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010932	11-Nor-8,9-drimanediol 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010933	12-Methyl-13-tridecanolide 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010934	14-Methyloxacyclotetradecan-2-one 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010935	2-Butyl-8-methyl-1,7-dioxaspiro[5.5]undecane 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010936	2-Dodecenoic acid, Et ester 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010937	3,7-Dimethyl-6-octen-1-ol, Butanoyl 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010938	3-Tetradecenoic acid 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010939	4-Tetradecenoic acid 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010940	5-Dodecen-1-ol, Ac 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010941	5-Hydroxytetradecanoic acid, Lactone 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010942	5-Tetradecenoic acid 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010943	7-Dodecen-1-ol, Ac 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010944	7-Tetradecenoic acid 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010945	8-Dodecen-1-ol, Ac 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010946	9-Dodecen-1-ol, Ac 	C14H26O2	226.19328	NA	MeJP	NA	NA
+MJ010947	9-Tetradecenoic acid 	C14H26O2	226.19328	NA	MeJP	NA	NA
+HMDB00499	5-Tetradecenoic acid	C14H26O2	226.19328	http://www.hmdb.ca/metabolites/HMDB00499	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00499	5-Tetradecenoic acid	C14H26O2	226.19328	HMDB00499	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00521	5Z-Tetradecenoic acid	C14H26O2	226.19328	HMDB00521	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02000	Myristoleic acid	C14H26O2	226.19328	HMDB02000	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05051	Tsuzuic acid	C14H26O2	226.19328	HMDB05051	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00499	5-Tetradecenoic acid	C14H26O2	226.193283	NA	HMDB2010	NA	NA
+HMDB00521	5Z-Tetradecenoic acid	C14H26O2	226.193283	NA	HMDB2010	NA	NA
+HMDB02000	Myristoleic acid	C14H26O2	226.193283	NA	HMDB2010	NA	NA
+HMDB05051	Tsuzuic acid	C14H26O2	226.193283	NA	HMDB2010	NA	NA
+HMDB10732	trans-Tetra-dec-2-enoic acid	C14H26O2	226.193283	NA	HMDB2010	NA	NA
+C08322	(9Z)-Tetradecenoic acid	C14H26O2	226.1933	NA	KEGG	NA	NA
+MJ010948	Dihydrocuscohygrine 	C13H26N2O	226.204513	NA	MeJP	NA	NA
+MJ010949	10-Pentadecen-1-ol 	C15H30O	226.229665	NA	MeJP	NA	NA
+MJ010950	2-Pentadecanone 	C15H30O	226.229665	NA	MeJP	NA	NA
+MJ010951	3-Methyl-2-tetradecen-7-ol 	C15H30O	226.229665	NA	MeJP	NA	NA
+MJ010952	9-Pentadecen-1-ol 	C15H30O	226.229665	NA	MeJP	NA	NA
+MJ010953	Cyclopentadecanol 	C15H30O	226.229665	NA	MeJP	NA	NA
+MJ010954	Pentadecanal 	C15H30O	226.229665	NA	MeJP	NA	NA
+MetaCyc02111	pentadecanal []	C15H30O1	226.229666	11/09/2765	metacyc	NA	NA
+C01948	Pentadecanal	C15H30O	226.2297	NA	KEGG	NA	NA
+MJ010955	2,2-Dimethyltetradecane 	C16H34	226.266051	NA	MeJP	NA	NA
+MJ010956	3,5-Dimethyltetradecane 	C16H34	226.266051	NA	MeJP	NA	NA
+MJ010957	4,6-Dimethyltetradecane 	C16H34	226.266051	NA	MeJP	NA	NA
+MJ010958	5,8-Dimethyltetradecane 	C16H34	226.266051	NA	MeJP	NA	NA
+MJ010959	5-Propyltridecane 	C16H34	226.266051	NA	MeJP	NA	NA
+MJ010960	6-Propyltridecane 	C16H34	226.266051	NA	MeJP	NA	NA
+MJ010961	Hexadecane 	C16H34	226.266051	NA	MeJP	NA	NA
+2660	synthetic fr,of human beta-CN (140-143) ACE inhibitor	QPIP	226.623	MH2+	Inhouse_peptide	NA	peptide
+2814	PEP inhibitor	KPPI	226.641	MH2+	Inhouse_peptide	NA	peptide
+MJ010962	6-Bromo-4,5-dihydroxyindole 	C8H6BrNO2	226.958191	NA	MeJP	NA	NA
+MJ010963	6-Bromo-4,7-dihydroxyindole 	C8H6BrNO2	226.958191	NA	MeJP	NA	NA
+MJ010964	5,7-Dichloro-8-hydroxy-2-methylquinoline 	C10H7Cl2NO	226.990469	NA	MeJP	NA	NA
+MetaCyc02112	2-(sulfomethyl)thiazolidine-4-carboxylate [2-(sulfomethyl)thiazolidine-4-carboxylic acid;]	C5H9N1O5S2	226.992214	NA	metacyc	NA	NA
+C12469	3-Amino-4,7-dihydroxy-8-chlorocoumarin	C9H6ClNO4	226.9985	NA	KEGG	NA	NA
+C12470	L-Prolyl-[pcp]	C5H8NOSR	226.9985	NA	KEGG	NA	NA
+MJ010965	Glycerol trinitrate 	C3H5N3O9	227.002578	NA	MeJP	NA	NA
+MetaCyc02113	nitroglycerin [NG;glycerol trinitrate;]	C3H5N3O9	227.002579	55-63-0	metacyc	NA	NA
+C07455	Nitroglycerin	C3H5N3O9	227.0026	NA	KEGG	NA	NA
+JH143	Xanthurenic acid [M+Na]+	NA	227.017	12.46	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH143	Xanthurenic acid [M+Na]+	NA	227.017	12.46	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH143	Xanthurenic acid [M+Na]+	NA	227.017	12.46	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH143	Xanthurenic acid [M+Na]+	NA	227.017	12.46	Inhousejuil11	NA	NA
+C16391	Trinitrotoluene	C7H5N3O6	227.0178	NA	KEGG	NA	NA
+HMDB01228	L-Glutamic acid 5-phosphate	C5H10NO7P	227.019485	NA	HMDB2010	NA	NA
+MJ010966	L-Glutamyl 1-phosphate 	C5H10NO7P	227.019488	NA	MeJP	NA	NA
+MJ010967	L-Glutamyl 5-phosphate 	C5H10NO7P	227.019488	NA	MeJP	NA	NA
+MetaCyc02114	L-glutamate-5-phosphate [L-&gamma;-glutamyl-5-phosphate;L-&gamma;-glutamyl-5-P;L-glutamyl-5-phosphate;]	C5H10N1O7P1	227.019488	NA	metacyc	NA	NA
+MetaCyc02115	&alpha;-L-glutamyl phosphate []	C5H10N1O7P1	227.019488	NA	metacyc	NA	NA
+C03287	L-Glutamyl 5-phosphate	C5H10NO7P	227.0195	NA	KEGG	NA	NA
+C03734	alpha-D-Glutamyl phosphate	C5H10NO7P	227.0195	NA	KEGG	NA	NA
+C05765	L-Glutamyl 1-phosphate	C5H10NO7P	227.0195	NA	KEGG	NA	NA
+MJ010968	3,4-Dihydro-4,4-dimethyl-2H-1,2-benzoselenazine 	C10H13NSe	227.021321	NA	MeJP	NA	NA
+MJ010969	Timirdine 	C9H10ClN3S	227.028395	NA	MeJP	NA	NA
+HMDB06794	5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate	C9H9NO6	227.04298	http://www.hmdb.ca/metabolites/HMDB06794	HMDB	NA	NA
+HMDB06794	5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate	C9H9NO6	227.04298	HMDB06794	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06794	5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate	C9H9NO6	227.042984	NA	HMDB2010	NA	NA
+MJ010970	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate 	C9H9NO6	227.042987	NA	MeJP	NA	NA
+MJ010971	Stizolobate 	C9H9NO6	227.042987	NA	MeJP	NA	NA
+MJ010972	Stizolobinate 	C9H9NO6	227.042987	NA	MeJP	NA	NA
+MJ010973	3-Pyridinol; Tartaric ester 	C9H9NO6	227.042987	NA	MeJP	NA	NA
+MJ010974	Stizolobic acid 	C9H9NO6	227.042987	NA	MeJP	NA	NA
+MJ010975	Stizolobinic acid 	C9H9NO6	227.042987	NA	MeJP	NA	NA
+C05655	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate	C9H9NO6	227.043	NA	KEGG	NA	NA
+C06047	Stizolobate	C9H9NO6	227.043	NA	KEGG	NA	NA
+C06048	Stizolobinate	C9H9NO6	227.043	NA	KEGG	NA	NA
+C06049	N-Formylderivatives	CH2NOR	227.043	NA	KEGG	NA	NA
+MJ010976	1-Methyl-6-(trifluoromethyl)-2(1H)-quinolinone 	C11H8F3NO	227.055798	NA	MeJP	NA	NA
+C10924	9-Hydroxy-2-nitrofluorene	C13H9NO3	227.0582	NA	KEGG	NA	NA
+MJ010977	1,8-Dihydroxyacridone 	C13H9NO3	227.058243	NA	MeJP	NA	NA
+MJ010978	2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde 	C13H9NO3	227.058243	NA	MeJP	NA	NA
+MJ010979	2,8-Dihydroxy-9H-carbazole-3-carboxaldehyde 	C13H9NO3	227.058243	NA	MeJP	NA	NA
+MJ010980	3,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one 	C13H9NO3	227.058243	NA	MeJP	NA	NA
+MJ010981	Dielsinol 	C13H9NO3	227.058243	NA	MeJP	NA	NA
+MJ010982	Aplysinopsin; 3'-Deimino, 3'-oxo, N4'-di-de-Me 	C12H9N3O2	227.069476	NA	MeJP	NA	NA
+MJ010983	Buclosamide 	C11H14ClNO2	227.071306	NA	MeJP	NA	NA
+MJ010984	L-Arogenate 	C10H13NO5	227.079372	NA	MeJP	NA	NA
+MJ010985	Arogenic acid 	C10H13NO5	227.079372	NA	MeJP	NA	NA
+MJ010986	Speranskatine A 	C10H13NO5	227.079372	NA	MeJP	NA	NA
+MetaCyc02116	L-arogenate [L-arogenic acid;pretyrosine;]	C10H13N1O5	227.079373	53078-86-7	metacyc	NA	NA
+C00826	L-Arogenate	C10H13NO5	227.0794	NA	KEGG	NA	NA
+7900	peptide from bovine b-lactoglobulin	WYS	227.087	MH2+	Inhouse_peptide	NA	peptide
+C00881	Deoxycytidine	C9H13N3O4	227.0906	NA	KEGG	NA	NA
+MJ010987	Deoxycytidine 	C9H13N3O4	227.090605	NA	MeJP	NA	NA
+MJ010988	N-(1-Carboxyethyl)histidine 	C9H13N3O4	227.090605	NA	MeJP	NA	NA
+MJ010989	Pentopyranine C 	C9H13N3O4	227.090605	NA	MeJP	NA	NA
+MetaCyc02117	deoxycytidine [d-cytidine;2'-deoxycytidine;]	C9H13N3O4	227.090606	951-77-9	metacyc	NA	NA
+HMDB00014	Deoxycytidine	C9H13N3O4	227.090607	NA	HMDB2010	NA	NA
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	http://www.hmdb.ca/metabolites/HMDB00014	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	http://www.hmdb.ca/metabolites/HMDB00014	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	http://www.hmdb.ca/metabolites/HMDB00014	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	http://www.hmdb.ca/metabolites/HMDB00014	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	http://www.hmdb.ca/metabolites/HMDB00014	HMDB	NA	NA
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	http://www.hmdb.ca/metabolites/HMDB00014	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00014	Deoxycytidine	C9H13N3O4	227.09061	HMDB00014	PFEM_hmdb_metabocards_official	NA	NA
+C03621	N-Acetoxy-4-aminobiphenyl	C14H13NO2	227.0946	NA	KEGG	NA	NA
+C04081	N-Hydroxy-4-acetylaminobiphenyl	C14H13NO2	227.0946	NA	KEGG	NA	NA
+C10679	Flindersine	C14H13NO2	227.0946	NA	KEGG	NA	NA
+MJ010990	1,6-Dihydroxy-3-methyl-9H-carbazole; 6-Me ether 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010991	2,6-Dihydroxy-3-methyl-9H-carbazole; 2-Me ether 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010992	2,6-Dihydroxy-3-methyl-9H-carbazole; 6-Me ether 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010993	3-(Hydroxymethyl)-9H-carbazole; N-Methoxy 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010994	3-Hydroxymethyl-1-methoxycarbazole 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010995	9H-Carbazole-2,7-diol; Di-Me ether 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010996	Diphenan 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010997	Flindersine 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010998	Mukoline 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+MJ010999	Paxamate 	C14H13NO2	227.094628	NA	MeJP	NA	NA
+CJpos0592	Porphobilinogen [(M+H)]+ (13C)	C913CH15N2O4	227.098175	C18rt(min)=4.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0592	Porphobilinogen [(M+H)]+ (13C)	C913CH15N2O4	227.098175	C18rt(min)=4.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0421	Porphobilinogen [(M-H)]- (13C)	C913CH13N2O4	227.099225	C18rt(min)=4.51 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0421	Porphobilinogen [(M-H)]- (13C)	C913CH13N2O4	227.099225	C18rt(min)=4.51 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011000	4-Amino-N-(2-aminophenyl)benzamide 	C13H13N3O	227.105862	NA	MeJP	NA	NA
+MJ011001	Etolorex 	C12H18ClNO	227.107691	NA	MeJP	NA	NA
+MJ011002	Tulobuterol 	C12H18ClNO	227.107691	NA	MeJP	NA	NA
+7548	ACE inhibitor	IWH	227.1105	MH2+	Inhouse_peptide	NA	peptide
+8003	synthetic peptide	LHW	227.1105	MH2+	Inhouse_peptide	NA	peptide
+8010	synthetic peptide	LWH	227.1105	MH2+	Inhouse_peptide	NA	peptide
+MJ011003	?-Hydroxymescaline 	C11H17NO4	227.115758	NA	MeJP	NA	NA
+MJ011004	Dimetofrine 	C11H17NO4	227.115758	NA	MeJP	NA	NA
+CJpos0593	Creatinine (and isomer) [(2M+H)]+ (13C)	C713CH15N6O2	227.120675	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0593	Creatinine (and isomer) [(2M+H)]+ (13C)	C713CH15N6O2	227.120675	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ011005	2-Decene-4,6,8-triynoic acid, 3-Methylbutylamide 	C15H17NO	227.131014	NA	MeJP	NA	NA
+MJ011006	2-Pentyl-4(1H)-quinolinone; OH-form, 1',2'-Didehydro, Me ether 	C15H17NO	227.131014	NA	MeJP	NA	NA
+MJ011007	1-Amino-3-hydroxy-8-decen-5-one, N-Ac 	C12H21NO3	227.152143	NA	MeJP	NA	NA
+MJ011008	3-Aminodihydro-2(3H)-furanone, N-Octanoyl 	C12H21NO3	227.152143	NA	MeJP	NA	NA
+MJ011009	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(2-Methylpropanoyl) 	C12H21NO3	227.152143	NA	MeJP	NA	NA
+MJ011010	Epilupinine, Ac, N-oxide 	C12H21NO3	227.152143	NA	MeJP	NA	NA
+MJ011011	Herbindole B 	C16H21N	227.167399	NA	MeJP	NA	NA
+MJ011012	Tazadolene 	C16H21N	227.167399	NA	MeJP	NA	NA
+MJ011013	2-(2-Hydroxybutyl)-6-(2-hydroxypropyl)-1-methylpiperidine; 3,4-Didehydro 	C13H25NO2	227.188529	NA	MeJP	NA	NA
+MJ011014	8,10-Diethyllobelidiol; Monoketone, N-de-Me 	C13H25NO2	227.188529	NA	MeJP	NA	NA
+MJ011015	Andrachcinidine 	C13H25NO2	227.188529	NA	MeJP	NA	NA
+MJ011016	Cyprodenate 	C13H25NO2	227.188529	NA	MeJP	NA	NA
+MJ011017	2-Amino-11,13-tetradecadien-3-ol, 13,14-Dihydro 	C14H29NO	227.224914	NA	MeJP	NA	NA
+MJ011018	Decanoic acid; 2-Methylpropylamide 	C14H29NO	227.224914	NA	MeJP	NA	NA
+MJ011019	12-Methyl-1-tetradecylamine 	C15H33N	227.2613	NA	MeJP	NA	NA
+8226	antioxidative peptide	MWC	227.5597	MH2+	Inhouse_peptide	NA	peptide
+3297	NA	YHH	227.5895	MH2+	Inhouse_peptide	NA	peptide
+7914	synthetic peptide	HYH	227.5895	MH2+	Inhouse_peptide	NA	peptide
+7917	synthetic peptide	HHY	227.5895	MH2+	Inhouse_peptide	NA	peptide
+2622	synthetic fr,of human beta-CN (65-68) ACE inhibitor	NILP	227.63145	MH2+	Inhouse_peptide	NA	peptide
+8183	ACE Inhibitor	VIKP	227.649	MH2+	Inhouse_peptide	NA	peptide
+MJ011020	3,3-Dibromo-2-propenoic acid 	C3H2Br2O2	227.842154	NA	MeJP	NA	NA
+MJ011021	Triclofos 	C2H4Cl3O4P	227.891278	NA	MeJP	NA	NA
+C07165	Triclofos	C2H4Cl3O4P	227.8913	NA	KEGG	NA	NA
+C11319	3,5-Dinitrosalicylic acid	C7H4N2O7	228.0019	NA	KEGG	NA	NA
+MJ011022	Thiolutin 	C8H8N2O2S2	228.002718	NA	MeJP	NA	NA
+C08461	Thiarubrine A	C13H8S2	228.0067	NA	KEGG	NA	NA
+C08462	Thiarubrine B	C13H8S2	228.0067	NA	KEGG	NA	NA
+MJ011023	1,6-Tridecadiene-3,9,11-triyne-5,8-dithione 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011024	2-(1-Propynyl)-5-(2-thienylethynyl)thiophene 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011025	5,12-Tridecadiene-2,8,10-triyne-4,7-dithione 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011026	5-(1,3-Pentadiynyl)-2,2'-bithiophene 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011027	5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011028	Thiarubrin A 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011029	Thiarubrin B 	C13H8S2	228.006741	NA	MeJP	NA	NA
+MJ011030	3,5-Dialkyl-1,2,4-trithiolanes; 3-Benzyl-5-methyl-1,2,4-trithiolane 	C10H12S3	228.010112	NA	MeJP	NA	NA
+MJ011031	4-Bromo-2-isopropyl-5-methylphenol 	C10H13BrO	228.014977	NA	MeJP	NA	NA
+MJ011032	3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 4?-Chloro 	C10H9ClO4	228.018936	NA	MeJP	NA	NA
+MJ011033	3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Chloro 	C10H9ClO4	228.018936	NA	MeJP	NA	NA
+MJ011034	4,6-Dihydroxy-1(3H)-isobenzofuranone; 7-Chloro, di-Me ether 	C10H9ClO4	228.018936	NA	MeJP	NA	NA
+MJ011035	3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid; 3-Me ether 	C9H8O7	228.027002	NA	MeJP	NA	NA
+MJ011036	3,4,6-Trihydroxy-1,2-benzenedicarboxylic acid; 3-Me ether 	C9H8O7	228.027002	NA	MeJP	NA	NA
+MJ011037	Pentahydroxybenzoic acid; 3,4-Methylene ether, Me ester 	C9H8O7	228.027002	NA	MeJP	NA	NA
+MJ011038	Benurestat 	C9H9ClN2O3	228.030169	NA	MeJP	NA	NA
+C16457	Radium-228	Ra	228.0311	NA	KEGG	NA	NA
+C16458	Shale oils	Ra	228.0311	NA	KEGG	NA	NA
+MJ011039	4-Chloro-2-(1,3,5-heptatriynyl)-1-methoxybenzene 	C14H9ClO	228.034192	NA	MeJP	NA	NA
+HMDB01343	Mevalonic acid-5P	C6H13O7P	228.039886	NA	HMDB2010	NA	NA
+MJ011040	3,5-Dihydroxy-3-methylpentanoic acid, 5-Phosphate 	C6H13O7P	228.039889	NA	MeJP	NA	NA
+MJ011041	(R)-5-Phosphomevalonate 	C6H13O7P	228.039889	NA	MeJP	NA	NA
+MetaCyc02118	mevalonate-5P [(R)-5-Phosphomevalonic acid;mevalonate-5-phosphate;(R)-5-Phosphomevalonate;(R)-Mevalonic acid 5-phosphate;(R)-5-Phosphomevaloonic acid;mevalonate-5-P;mevalonate-P;P-mevalonate;5-phosphomevalonate;]	C6H13O7P1	228.039889	73566-35-5	metacyc	NA	NA
+HMDB01343	Mevalonic acid-5P	C6H13O7P	228.03989	http://www.hmdb.ca/metabolites/HMDB01343	HMDB	NA	NA
+HMDB01343	Mevalonic acid-5P	C6H13O7P	228.03989	HMDB01343	PFEM_hmdb_metabocards_official	NA	NA
+C01107	(R)-5-Phosphomevalonate	C6H13O7P	228.0399	NA	KEGG	NA	NA
+CJneg0422	Quinic acid [(M+Cl)]-	C7H12ClO6	228.040625	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0422	Quinic acid [(M+Cl)]-	C7H12ClO6	228.040625	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011042	1,5-Dihydroxyxanthone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011043	1,6-Dihydroxyxanthone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011044	1,7-Dihydroxyxanthone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011045	2,5-Dihydroxyxanthone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011046	2,6-Dihydroxyxanthone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011047	2,7-Dihydroxyxanthone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011048	3,8-Dihydroxy-6H-dibenzo[b,d]pyran-6-one 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011049	5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 9-Oxo 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011050	8-Acetyl-2H-furo[2,3-h][1]benzopyran-2-one 	C13H8O4	228.042258	NA	MeJP	NA	NA
+MJ011051	Demethylcyperaquinone 	C13H8O4	228.042258	NA	MeJP	NA	NA
+C10061	Euxanthone	C13H8O4	228.0423	NA	KEGG	NA	NA
+MJ011052	Anpirtoline 	C10H13ClN2S	228.048796	NA	MeJP	NA	NA
+MJ011053	2,2-Bis(ethylsulfonyl)propane 	C7H16O4S2	228.049	NA	MeJP	NA	NA
+CJneg0423	1-methyluric acid [(M-H)+(HCOOH)]-	C7H7N4O5	228.050025	C18rt(min)=4.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0423	1-methyluric acid [(M-H)+(HCOOH)]-	C7H7N4O5	228.050025	C18rt(min)=4.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03872	L-Serine-phosphoethanolamine	C5H13N2O6P	228.0511	NA	KEGG	NA	NA
+C03873	Linoleoylphosphatidylcholine	C27H50NO8PR	228.0511	NA	KEGG	NA	NA
+C03874	Myosin heavy-chain phosphate	C5H9N2O6PR2	228.0511	NA	KEGG	NA	NA
+C03875	Myosin light chain phosphate	C4H7N2O6PR2	228.0511	NA	KEGG	NA	NA
+MJ011054	2-Aminoethyl seryl phosphate 	C5H13N2O6P	228.051122	NA	MeJP	NA	NA
+MetaCyc02119	serine phosphoethanolamine []	C5H13N2O6P1	228.051123	NA	metacyc	NA	NA
+MetaCyc02120	L-serine-phosphoethanolamine []	C5H13N2O6P1	228.051123	NA	metacyc	NA	NA
+MJ011055	1,8-Phenazinediol; 10-Oxide 	C12H8N2O3	228.053492	NA	MeJP	NA	NA
+MJ011056	2,3,7-Trihydroxyphenazine 	C12H8N2O3	228.053492	NA	MeJP	NA	NA
+MJ011057	9-Chloro-p-mentha-1,3,5,8-tetraene-2,5,10-triol; 2-Me ether 	C11H13ClO3	228.055321	NA	MeJP	NA	NA
+MJ011058	Benzenecarbothioic acid; SH-form, S-Benzyl ester 	C14H12OS	228.060885	NA	MeJP	NA	NA
+MJ011059	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate 	C10H12O6	228.063388	NA	MeJP	NA	NA
+MJ011060	1,6,9,13-Tetraoxadispiro[4.2.4.2]tetradecane-2,10-dione 	C10H12O6	228.063388	NA	MeJP	NA	NA
+MJ011061	Carlosic acid 	C10H12O6	228.063388	NA	MeJP	NA	NA
+MJ011062	Prephenyllactic acid 	C10H12O6	228.063388	NA	MeJP	NA	NA
+MetaCyc02121	2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate []	C10H12O6	228.063388	NA	metacyc	NA	NA
+C06581	2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate	C10H12O6	228.0634	NA	KEGG	NA	NA
+CJneg0424	Hydroxyphenyllactic acid [(M-H)+(HCOOH)]-	C10H11O6	228.063925	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0424	Hydroxyphenyllactic acid [(M-H)+(HCOOH)]-	C10H11O6	228.063925	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C11011	Metoxuron	C10H13ClN2O2	228.0666	NA	KEGG	NA	NA
+EUR054	Deoxyuridine	C9H12N2O5	228.0746	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR054	Deoxyuridine	C9H12N2O5	228.0746	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR054	Deoxyuridine	C9H12N2O5	228.0746	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR054	Deoxyuridine	C9H12N2O5	228.0746	Wishlist	Inhousejuil11	NA	NA
+C00526	Deoxyuridine	C9H12N2O5	228.0746	NA	KEGG	NA	NA
+HMDB00012	Deoxyuridine	C9H12N2O5	228.074615	NA	HMDB2010	NA	NA
+HMDB00012	Deoxyuridine	C9H12N2O5	228.07462	http://www.hmdb.ca/metabolites/HMDB00012	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00012	Deoxyuridine	C9H12N2O5	228.07462	http://www.hmdb.ca/metabolites/HMDB00012	HMDB	NA	NA
+HMDB00012	Deoxyuridine	C9H12N2O5	228.07462	http://www.hmdb.ca/metabolites/HMDB00012	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00012	Deoxyuridine	C9H12N2O5	228.07462	HMDB00012	PFEM_hmdb_metabocards_official	NA	NA
+MJ011063	Deoxyuridine 	C9H12N2O5	228.074621	NA	MeJP	NA	NA
+MJ011064	2'-Deoxyuridine 	C9H12N2O5	228.074621	NA	MeJP	NA	NA
+MJ011065	Asterionellin B 	C9H12N2O5	228.074621	NA	MeJP	NA	NA
+MJ011066	Dioxolane T 	C9H12N2O5	228.074621	NA	MeJP	NA	NA
+MJ011067	Zebularine 	C9H12N2O5	228.074621	NA	MeJP	NA	NA
+MetaCyc02122	deoxyuridine [2'-deoxyuridine;]	C9H12N2O5	228.074622	951-78-0	metacyc	NA	NA
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	HMDB	NA	NA
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	Inhouse_PFEM	NA	NA
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR054	Deoxyuridine	C9H12N2O5	228.074623	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ011068	Pemirolast 	C10H8N6O	228.075958	NA	MeJP	NA	NA
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR424	Deoxyuridine F1	NA	228.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C03582	3,4',5-Trihydroxystilbene	C14H12O3	228.0786	NA	KEGG	NA	NA
+C09312	Seselin	C14H12O3	228.0786	NA	KEGG	NA	NA
+C09314	Trioxsalen	C14H12O3	228.0786	NA	KEGG	NA	NA
+C09317	Xanthyletin	C14H12O3	228.0786	NA	KEGG	NA	NA
+C09925	5,6-Dehydrokawain	C14H12O3	228.0786	NA	KEGG	NA	NA
+C14285	2-Hydroxy-4-methoxybenzophenone	C14H12O3	228.0786	NA	KEGG	NA	NA
+C14393	Benzyl parahydroxybenzoate	C14H12O3	228.0786	NA	KEGG	NA	NA
+C15196	3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone	C14H12O3	228.0786	NA	KEGG	NA	NA
+HMDB03747	Resveratrol	C14H12O3	228.07864	http://www.hmdb.ca/metabolites/HMDB03747	HMDB	NA	NA
+HMDB03747	Resveratrol	C14H12O3	228.07864	HMDB03747	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03747	Resveratrol	C14H12O3	228.078644	NA	HMDB2010	NA	NA
+MJ011069	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011070	2,4-Dihydroxybenzophenone; 4-Me ether 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011071	2-Hydroxy-6-(2,4-pentadiynyl)benzoic acid; Me ether, Me ester 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011072	2-Hydroxybenzoic acid; Benzyl ester 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011073	2-Methoxy-6-(2-phenylethenyl)-4H-1-pyran-4-one 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011074	4,9-Dimethoxynaphtho[2,3-b]furan 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011075	5,6-Dehydrokawain 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011076	5-(2-Hydroxyethylidene)-2-cyclopenten-1-one, Benzoyl 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011077	Angenomalin 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011078	Arnocoumarin; 2,3-Dihydro 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011079	Seselin 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011080	Trioxsalen 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011081	Triptispinocoumarin 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011082	Xanthyletin 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MJ011083	3,4',5-Trihydroxystilbene 	C14H12O3	228.078644	NA	MeJP	NA	NA
+MetaCyc02123	resveratrol [3,5,4'-trihydroxystilbene;]	C14H12O3	228.078644	NA	metacyc	NA	NA
+MetaCyc02124	3,4',5-trihydroxystilbene []	C14H12O3	228.078644	NA	metacyc	NA	NA
+CJneg0425	Mannitol (and isomers) [(M-H)+(HCOOH)]-	C7H15O8	228.085025	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0425	Mannitol (and isomers) [(M-H)+(HCOOH)]-	C7H15O8	228.085025	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011084	2'-Deoxy-5-azacytidine 	C8H12N4O4	228.085854	NA	MeJP	NA	NA
+MJ011085	4,8-Dimethoxy-?-carboline 	C13H12N2O2	228.089877	NA	MeJP	NA	NA
+MJ011086	7-Methoxy-1-methyl-?-carboline; N-Oxide 	C13H12N2O2	228.089877	NA	MeJP	NA	NA
+MJ011087	Aaptamine 	C13H12N2O2	228.089877	NA	MeJP	NA	NA
+MJ011088	Aaptosine 	C13H12N2O2	228.089877	NA	MeJP	NA	NA
+MJ011089	Ozagrel 	C13H12N2O2	228.089877	NA	MeJP	NA	NA
+MJ011090	4-Chloro-3,7-dimethyl-3,5,7-octatrien-1-ol, Ac 	C12H17ClO2	228.091707	NA	MeJP	NA	NA
+MJ011091	Fenpentadiol 	C12H17ClO2	228.091707	NA	MeJP	NA	NA
+MJ011092	1-Hydroxy-6-isopropyl-3-[2-(methylthio)ethyl]-2(1H)-pyrazinone 	C10H16N2O2S	228.093248	NA	MeJP	NA	NA
+MJ011093	Brevinarcone 	C10H16N2O2S	228.093248	NA	MeJP	NA	NA
+C14222	Chrysene	C18H12	228.0939	NA	KEGG	NA	NA
+C14317	Benz[a]anthracene	C18H12	228.0939	NA	KEGG	NA	NA
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	HMDB	NA	NA
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	Inhouse_PFEM	NA	NA
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC028	UNKNOWN signif manip paracetamol	NA	228.0948	RT3	PFEM_hmdb_metabocards_official	NA	NA
+MJ011094	3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Di-Me ether 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011095	5,6-Dihydro-4,6-dihydroxy-2H-pyran-2-one, 4-Me ether, 6-O-pentanoyl 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011096	Agistatin B; 4-Ketone, 8a-hydroxy 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011097	Antibiotic LL-P880? 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011098	Chlamydospordiol 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011099	Decarestrictine B; 5-Epimer, 5-Me ether 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011100	Dihydro-3-hydroxy-3-(1-hydroxy-2,4-hexadienyl)-4-(hydroxymethyl)-2(3H)-furanone 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011101	Loganic acid; Aglycone, 1-epimer, Me ester 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011102	Loganic acid; Aglycone, Me ester 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011103	Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid; Me ester 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011104	Penstemonoside; 1,8-Diepimer, aglycone 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011105	Penstemonoside; 8-Epimer, aglycone 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011106	Xanthocidin 	C11H16O5	228.099773	NA	MeJP	NA	NA
+MJ011107	8-Fluoro-1,2,3,4-tetrahydro-2,4-methanoacridin-9-amine 	C14H13FN2	228.106276	NA	MeJP	NA	NA
+C13733	(S)-ATPA	C10H16N2O4	228.111	NA	KEGG	NA	NA
+MJ011108	?-Amino-5-(1,1-dimethylethyl)-2,3-dihydro-3-oxo-4-isoxazolepropanoic acid 	C10H16N2O4	228.111007	NA	MeJP	NA	NA
+MJ011109	Longitubanine A; 4-Deoxy 	C10H16N2O4	228.111007	NA	MeJP	NA	NA
+HMDB06695	Prolylhydroxyproline	C10H16N2O4	228.111008	NA	HMDB2010	NA	NA
+HMDB06695	Prolylhydroxyproline	C10H16N2O4	228.11101	http://www.hmdb.ca/metabolites/HMDB06695	HMDB	NA	NA
+HMDB06695	Prolylhydroxyproline	C10H16N2O4	228.11101	HMDB06695	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0426	Asp-Leu / Asp-Ile [(M-H)-(H2O)]-	C10H15N2O4	228.111525	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0426	Asp-Leu / Asp-Ile [(M-H)-(H2O)]-	C10H15N2O4	228.111525	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3779	dipeptidyl carboxypeptidase inhibitor	PPPF	228.112	MH2+	Inhouse_peptide	NA	peptide
+MJ011110	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1-Me 	C11H12N6	228.112344	NA	MeJP	NA	NA
+MJ011111	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 9-Me 	C11H12N6	228.112344	NA	MeJP	NA	NA
+MJ011112	Pseudozoanthoxin A; 3-Me 	C11H12N6	228.112344	NA	MeJP	NA	NA
+7652	ACE inhibitor from wakame	KFY	228.1125	MH2+	Inhouse_peptide	NA	peptide
+3776	PEP inhibitor	MPLP	228.1142	MH2+	Inhouse_peptide	NA	peptide
+C10371	Mansonone C	C15H16O2	228.115	NA	KEGG	NA	NA
+C13624	Bisphenol A	C15H16O2	228.115	NA	KEGG	NA	NA
+C15210	1,1-Bis(4-hydroxyphenyl)propane	C15H16O2	228.115	NA	KEGG	NA	NA
+C17424	Lindenenone	C15H16O2	228.115	NA	KEGG	NA	NA
+MJ011113	1(10),2,4(15),11(13)-Guaiatetraen-12,6-olide 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011114	1(10),5,7(11),8-Guaiatetraen-12,8-olide 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011115	1,3-Diphenyl-1,2-propanediol 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011116	1,3-Diphenyl-1,3-propanediol 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011117	1,4,4a,9a-Tetrahydro-10-hydroxy-2-methyl-9(10H)-anthracenone 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011118	1,4,4a,9a-Tetrahydro-10-hydroxy-3-methyl-9(10H)-anthracenone 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011119	1-(3,5-Dihydroxy-4-methylphenyl)-2-phenylethane 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011120	1-(3,5-Dihydroxyphenyl)-2-phenylethane; Mono-Me ether 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011121	1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3-Me ether 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011122	1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 4'-Me ether 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011123	10-Desmethyl-1-methyl-1,3,5(10),11(13)-eudesmatetraen-12,8-olide 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011124	2,5-Dimethyl-8-isopropyl-1,4-naphthoquinone 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011125	2,8,10-Tridecatriene-4,6-diyn-1-ol; Ac 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011126	2,8-Decadiene-4,6-diyn-1-ol, 3-Methyl-2-butenoyl ester 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011127	2-Decene-4,6,8-triyn-1-ol, 3-Methylbutanoyl 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011128	3,5,11-Tridecatriene-7,9-diyn-1-ol, Ac 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011129	3,5,7-Tridecatriene-9,11-diyn-1-ol, Ac 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011130	4(15),6,8-Hirsutatriene-5,10-dione 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011131	4,6,12-Tetradecatriene-8,10-diynoic acid, Me ester 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011132	4-(2-Phenylethyl)-1,2-benzenediol; 3-Me ether 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011133	4-(2-Phenylethyl)-1,2-benzenediol; 4-Me ether 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011134	4-(6-Methoxy-2-naphthalenyl)-2-butanone 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011135	Cacalol; Deoxy, 1-oxo 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011136	Catalponol; Ketone 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011137	Curzeone 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011138	Faramol 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011139	Furanoeudesma-1,4-dien-6-one 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011140	Furoixiolal 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011141	Lapachenol; 3,4-Dihydro, O-de-Me 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011142	Lindenene; 6-Oxo 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011143	Mansonone C 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011144	Shizukanolide; 8,9-Didehydro 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MJ011145	Tetrahydro-5-(1,3,9-undecatriene-5,7-diynyl)-2-furanol 	C15H16O2	228.115029	NA	MeJP	NA	NA
+MetaCyc02125	dihydropinosylvin monomethylether []	C15H16O2	228.11503	NA	metacyc	NA	NA
+MJ011146	8-Mercapto-p-menthan-3-one, S-Ac 	C12H20O2S	228.1184	NA	MeJP	NA	NA
+C06656	Deoxyguanidinoproclavaminic acid	C9H16N4O3	228.1222	NA	KEGG	NA	NA
+MJ011147	N5-(5-Methyl-4-oxo-2-imidazolin-2-yl)ornithine 	C9H16N4O3	228.12224	NA	MeJP	NA	NA
+MJ011148	Deoxyguanidinoproclavaminic acid 	C9H16N4O3	228.12224	NA	MeJP	NA	NA
+MetaCyc02126	deoxyamidinoproclavaminate []	C9H16N4O3	228.12224	NA	metacyc	NA	NA
+MJ011149	2-(2-Aminobenzylamino)benzyl alcohol 	C14H16N2O	228.126263	NA	MeJP	NA	NA
+MJ011150	3-(1,2,3,6-Tetrahydro-4-pyridinyl)-1H-indol-5-ol; Me ether 	C14H16N2O	228.126263	NA	MeJP	NA	NA
+MJ011151	6-Benzyl-3-isopropyl-2(1H)-pyrazinone 	C14H16N2O	228.126263	NA	MeJP	NA	NA
+MJ011152	Coumazoline 	C14H16N2O	228.126263	NA	MeJP	NA	NA
+MJ011153	Peganidine; Deoxy 	C14H16N2O	228.126263	NA	MeJP	NA	NA
+MJ011154	Prifuroline 	C14H16N2O	228.126263	NA	MeJP	NA	NA
+3620	NA	GRKP	228.134	MH2+	Inhouse_peptide	NA	peptide
+3180	dipeptidyl-aminopeptidase IV inhibitor	LP	228.136	celiac toxic	Inhouse_peptide	NA	peptide
+7513	ACE inhibitor from Alaskan pollack skin	PL	228.136	antioxidative	Inhouse_peptide	NA	peptide
+7581	ACE inhibitor	IP	228.136	antioxidative	Inhouse_peptide	NA	peptide
+HMDB00933	Traumatic acid	C12H20O4	228.13615	http://www.hmdb.ca/metabolites/HMDB00933	HMDB	NA	NA
+HMDB00933	Traumatic acid	C12H20O4	228.13615	HMDB00933	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00933	Traumatic acid	C12H20O4	228.136154	NA	HMDB2010	NA	NA
+MJ011155	2,5-Epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011156	2-Dodecenedioic acid 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011157	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 3-Deoxy 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011158	4-(5-Hydroxyheptyl)-3-methyl-2(5H)-furanone, 1'-Hydroxy 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011159	4-(6-Hydroxyheptyl)-3-methyl-2(5H)-furanone, 1'-Hydroxy 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011160	5,8-Dihydroxy-2,6-dodecadienoic acid 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011161	5-(1,7-Dihydroxyoctyl)-2(5H)-furanone 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011162	6,7-Epoxy-3,7-dimethyl-2-octene-1,5-diol; 1-Ac 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011163	8,12-Dihydroxy-2,4-dodecadienoic acid 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011164	Chokolic acid A 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011165	Cladospolide A 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011166	Humidin 	C12H20O4	228.136159	NA	MeJP	NA	NA
+MJ011167	p-Menth-3-ene-1,2,8-triol, 2-Ac 	C12H20O4	228.136159	NA	MeJP	NA	NA
+C16308	Traumatic acid	C12H20O4	228.1362	NA	KEGG	NA	NA
+MJ011168	Mifentidine 	C13H16N4	228.137496	NA	MeJP	NA	NA
+HMDB11174	L-isoleucyl-L-proline	C11H20N2O3	228.147385	NA	HMDB2010	NA	NA
+HMDB11175	L-leucyl-L-proline	C11H20N2O3	228.147385	NA	HMDB2010	NA	NA
+MJ011169	?-Methyldethiobiotin 	C11H20N2O3	228.147392	NA	MeJP	NA	NA
+PJ000061	PL 	C11H20N2O3	228.1474	NA	PeJP	NA	NA
+MJ011170	1,8,14-Hexadecatriene-10,12-diyn-7-ol 	C16H20O	228.151415	NA	MeJP	NA	NA
+MJ011171	2-Isopropyl-4,7-dimethyl-1-naphthol; Me ether 	C16H20O	228.151415	NA	MeJP	NA	NA
+MJ011172	3-Cadalenol; Me ether 	C16H20O	228.151415	NA	MeJP	NA	NA
+MJ011173	6,8,12,14-Hexadecatetraen-10-yn-1-ol, Aldehyde 	C16H20O	228.151415	NA	MeJP	NA	NA
+MJ011174	6,8,14-Hexadecatriene-10,12-diyn-1-ol 	C16H20O	228.151415	NA	MeJP	NA	NA
+MJ011175	7,14-Hexadecadiene-10,12-diynal 	C16H20O	228.151415	NA	MeJP	NA	NA
+MJ011176	1,2,3,4-Tetrahydro-1-isobutyl-?-carboline 	C15H20N2	228.162648	NA	MeJP	NA	NA
+MJ011177	3-[2-(4-Piperidinyl)ethyl]-1H-indole 	C15H20N2	228.162648	NA	MeJP	NA	NA
+MJ011178	4,5,7a,8,9,10,11,11a-Octahydro-10-methyl-7H-indolo[1,7-bc][2,6]naphthyridine 	C15H20N2	228.162648	NA	MeJP	NA	NA
+MJ011179	11-Hydroxy-9-tridecenoic acid 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011180	7-Hydroxy-4-dodecenoic acid, Me ether 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011181	7-Megastigmene-3,4,9-triol 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011182	7-Megastigmene-3,6,9-triol 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011183	7-Megastigmene-5,6,9-triol 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011184	8,9-Dihydroxy-5-isopropyl-8-methyl-6-nonen-2-one 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011185	8-Hydroxy-5-isopropyl-8-methyl-6-nonen-2-one, 6,7-Epoxide 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011186	9,13-Dihydroxy-3-megastigmanone 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011187	?,?,5-Trimethyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane-7-methanol 	C13H24O3	228.172544	NA	MeJP	NA	NA
+MJ011188	Falintolol 	C12H24N2O2	228.183778	NA	MeJP	NA	NA
+MJ011189	1,7,9,13-Heptadecatetraen-11-yne 	C17H24	228.1878	NA	MeJP	NA	NA
+MJ011190	1,8,13,15-Heptadecatetraen-11-yne 	C17H24	228.1878	NA	MeJP	NA	NA
+MJ011191	1,8-Heptadecadiene-11,13-diyne 	C17H24	228.1878	NA	MeJP	NA	NA
+MJ011192	2,9-Heptadecadiene-4,6-diyne 	C17H24	228.1878	NA	MeJP	NA	NA
+C06424	Tetradecanoic acid	C14H28O2	228.2089	NA	KEGG	NA	NA
+HMDB00806	Myristic acid	C14H28O2	228.20892	http://www.hmdb.ca/metabolites/HMDB00806	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00806	Myristic acid	C14H28O2	228.20892	http://www.hmdb.ca/metabolites/HMDB00806	HMDB	NA	NA
+HMDB02221	2,6,10-Trimethylundecanoic acid	C14H28O2	228.20892	http://www.hmdb.ca/metabolites/HMDB02221	HMDB	NA	NA
+HMDB00806	Myristic acid	C14H28O2	228.20892	http://www.hmdb.ca/metabolites/HMDB00806	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00806	Myristic acid	C14H28O2	228.20892	HMDB00806	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02221	2,6,10-Trimethylundecanoic acid	C14H28O2	228.20892	HMDB02221	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00806	Myristic acid	C14H28O2	228.208923	NA	HMDB2010	NA	NA
+HMDB02221	2,6,10-Trimethylundecanoic acid	C14H28O2	228.208923	NA	HMDB2010	NA	NA
+MJ011193	1-Dodecanol; Ac 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011194	12-Methyltridecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011195	2,4,6,8-Tetramethyldecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011196	2,5-Dimethyldodecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011197	2,6,10-Trimethylundecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011198	2-Dodecanol, Ac 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011199	3-Methyltridecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011200	4,10-Dimethyldodecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011201	4,11-Dimethyldodecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011202	8-Methyl-2-decanol, Propanoyl 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011203	Dodecanoic acid; Et ester 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011204	Nonanoic acid; 3-Methylbutyl ester 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011205	Tetradecanoic acid 	C14H28O2	228.20893	NA	MeJP	NA	NA
+MJ011206	1-Pentadecanol 	C15H32O	228.245315	NA	MeJP	NA	NA
+MJ011207	12-Methyl-1-tetradecanol 	C15H32O	228.245315	NA	MeJP	NA	NA
+MJ011208	3,7-Dimethyl-2-tridecanol 	C15H32O	228.245315	NA	MeJP	NA	NA
+MJ011209	4,10-Dimethyl-7-tridecanol 	C15H32O	228.245315	NA	MeJP	NA	NA
+MJ011210	4-Methyl-7-tetradecanol 	C15H32O	228.245315	NA	MeJP	NA	NA
+MJ011211	8-Pentadecanol 	C15H32O	228.245315	NA	MeJP	NA	NA
+7940	synthetic peptide	YYI	228.605	MH2+	Inhouse_peptide	NA	peptide
+7941	synthetic peptide	YYL	228.605	MH2+	Inhouse_peptide	NA	peptide
+7954	synthetic peptide	IYY	228.605	MH2+	Inhouse_peptide	NA	peptide
+7955	synthetic peptide	LYY	228.605	MH2+	Inhouse_peptide	NA	peptide
+7958	synthetic peptide	YIY	228.605	MH2+	Inhouse_peptide	NA	peptide
+7959	synthetic peptide	YLY	228.605	MH2+	Inhouse_peptide	NA	peptide
+8048	synthetic peptide	PWR	228.616	MH2+	Inhouse_peptide	NA	peptide
+8309	ACE inhibitor	VRSP	228.6265	MH2+	Inhouse_peptide	NA	peptide
+3623	NA	TKPI	228.6385	MH2+	Inhouse_peptide	NA	peptide
+8104	peptide derived from dried bonito	VVKL	228.657	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc02127	nitrapyrin [2-chloro-6-(trichloromethyl)pyridine;N-serve;N-serve nitrogen stabilizer;Dowco-163;2-picoline, &alpha;,&alpha;,&alpha;,6-tetrachloro-;;]	C6H3N1CL4	228.90196	NA	metacyc	NA	NA
+MJ011212	6-Bromo-3-chloro-1H-indole 	C8H5BrClN	228.929389	NA	MeJP	NA	NA
+MJ011213	5-Bromo-2-hydroxy-3-methylbenzoic acid; Amide 	C8H8BrNO2	228.973841	NA	MeJP	NA	NA
+MJ011214	Nimidane 	C9H8ClNS2	228.978668	NA	MeJP	NA	NA
+MJ011215	Aminozolamide 	C7H7N3O2S2	228.997967	NA	MeJP	NA	NA
+C14326	Dimethoate	C5H12NO3PS2	228.9996	NA	KEGG	NA	NA
+MetaCyc02128	sulfoethylcysteine [S-(2-sulfoethyl)cysteine;]	C5H11N1O5S2	229.007864	NA	metacyc	NA	NA
+MJ011216	Clonidine 	C9H9Cl2N3	229.017352	NA	MeJP	NA	NA
+MJ011217	Zyzzin 	C11H7N3OS	229.030982	NA	MeJP	NA	NA
+C03090	5-Phosphoribosylamine	C5H12NO7P	229.0351	NA	KEGG	NA	NA
+MJ011218	4-Amino-4-deoxyarabinose; ?-L-Pyranose-form, 1-Dihydrogen phosphate 	C5H12NO7P	229.035138	NA	MeJP	NA	NA
+MJ011219	5-Phosphoribosylamine 	C5H12NO7P	229.035138	NA	MeJP	NA	NA
+MetaCyc02129	5-phospho-&beta;-D-ribosyl-amine [5-phospho-&beta;-D-ribosyl-amine;5-P-&beta;-D-ribosyl-amine;PRA;5-phosphoribosylamine;]	C5H12N1O7P1	229.035138	NA	metacyc	NA	NA
+HMDB01128	5-Phosphoribosylamine	C5H12NO7P	229.03514	http://www.hmdb.ca/metabolites/HMDB01128	HMDB	NA	NA
+HMDB01128	5-Phosphoribosylamine	C5H12NO7P	229.03514	HMDB01128	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01128	5-Phosphoribosylamine	C5H12NO7P	229.035141	NA	HMDB2010	NA	NA
+C11178	Resazurin	C12H7NO4	229.0375	NA	KEGG	NA	NA
+MJ011220	Amiloride 	C6H8ClN7O	229.047885	NA	MeJP	NA	NA
+C06821	Amiloride	C6H8ClN7O	229.0479	NA	KEGG	NA	NA
+C06822	Transferred to D00227	C6H8ClN7O	229.0479	NA	KEGG	NA	NA
+CJneg0427	4-Methylhippuric acid / 3-Methylhippuric acid [(M+Cl)]-	C10H11ClNO3	229.051125	C18rt(min)=6.62 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0428	2-methylhippuric acid (ortho-methylhippuric acid) [(M+Cl)]-	C10H11ClNO3	229.051125	C18rt(min)=6.13 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0427	4-Methylhippuric acid / 3-Methylhippuric acid [(M+Cl)]-	C10H11ClNO3	229.051125	C18rt(min)=6.62 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0428	2-methylhippuric acid (ortho-methylhippuric acid) [(M+Cl)]-	C10H11ClNO3	229.051125	C18rt(min)=6.13 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07065	Lamivudine	C8H11N3O3S	229.0521	NA	KEGG	NA	NA
+C07066	Transferred to D00354	C8H11N3O3S	229.0521	NA	KEGG	NA	NA
+C07067	Transferred to D00355	C8H11N3O3S	229.0521	NA	KEGG	NA	NA
+C07068	Transferred to D00356	C8H11N3O3S	229.0521	NA	KEGG	NA	NA
+MJ011221	Lamivudine 	C8H11N3O3S	229.052111	NA	MeJP	NA	NA
+C04796	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	C9H11NO6	229.0586	NA	KEGG	NA	NA
+C04797	5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	C9H11NO6	229.0586	NA	KEGG	NA	NA
+C17758	4,5-seco-Dopa	C9H11NO6	229.0586	NA	KEGG	NA	NA
+MJ011222	Showdomycin 	C9H11NO6	229.058637	NA	MeJP	NA	NA
+MJ011223	4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde 	C9H11NO6	229.058637	NA	MeJP	NA	NA
+MJ011224	5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde 	C9H11NO6	229.058637	NA	MeJP	NA	NA
+MetaCyc02130	4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde []	C9H11N1O6	229.058637	NA	metacyc	NA	NA
+MetaCyc02131	5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde []	C9H11N1O6	229.058637	NA	metacyc	NA	NA
+C05353	TES	C6H15NO6S	229.062	NA	KEGG	NA	NA
+C05354	Cyclopropylcarbinyl cation	C6H15NO6S	229.062	NA	KEGG	NA	NA
+C05355	alpha-Phosphono sulfonate triacid	C6H15NO6S	229.062	NA	KEGG	NA	NA
+CJneg0429	Hydroxyphenyllactic acid [(M-H)+(HCOOH)]- (13C)	C913CH11O6	229.067325	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0429	Hydroxyphenyllactic acid [(M-H)+(HCOOH)]- (13C)	C913CH11O6	229.067325	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011225	4-Amino-2-hydroxybenzoic acid; Ph ester 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011226	5-(4-Hydroxybenzyl)-2-pyridinecarboxylic acid 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011227	Furo[2,3-b]quinoline-4,5-diol; Di-Me ether 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011228	Furo[2,3-b]quinoline-4,6-diol; NH-form, 6-Me ether, N-Me 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011229	Furo[2,3-b]quinoline-4,6-diol; OH-form, Di-Me ether 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011230	Furo[2,3-b]quinoline-4,7-diol; OH-form, Di-Me ether 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011231	Furo[2,3-b]quinoline-4,8-diol; NH-form, 8-Me ether, N-Me 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011232	Furo[2,3-b]quinoline-4,8-diol; OH-form, Di-Me ether 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011233	Osalmid 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+MJ011234	Vertilecanine A 	C13H11NO3	229.073893	NA	MeJP	NA	NA
+C10676	gamma-Fagarine	C13H11NO3	229.0739	NA	KEGG	NA	NA
+MJ011235	4,5-Dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine 	C10H10F3N3	229.082681	NA	MeJP	NA	NA
+3493	ACE inhibitor from sake	YGGY	229.084	MH2+	Inhouse_peptide	NA	peptide
+7947	synthetic peptide	YYN	229.08445	MH2+	Inhouse_peptide	NA	peptide
+7965	synthetic peptide	NYY	229.08445	MH2+	Inhouse_peptide	NA	peptide
+7968	synthetic peptide	YNY	229.08445	MH2+	Inhouse_peptide	NA	peptide
+MJ011236	Caerulomycin 	C12H11N3O2	229.085126	NA	MeJP	NA	NA
+MJ011237	Furonazide 	C12H11N3O2	229.085126	NA	MeJP	NA	NA
+MJ011238	2',3'-Dideoxy-2'-fluorocytidine 	C9H12FN3O3	229.086269	NA	MeJP	NA	NA
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR257	Ergothionéine F1	NA	229.088375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR257	Ergothioneine F1	NA	229.088375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ011239	1-Methyl-4-mercaptohistidine, N?,N?-Di-Me 	C9H15N3O2S	229.088497	NA	MeJP	NA	NA
+MJ011240	Ergothioneine 	C9H15N3O2S	229.088497	NA	MeJP	NA	NA
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	HMDB	NA	NA
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	Inhouse_PFEM	NA	NA
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR051	Ergothioneine	C9H15N3O2S	229.088499	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR051	Ergothioneine	C9H15N3O2S	229.0885	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR051	Ergothioneine	C9H15N3O2S	229.0885	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR051	Ergothioneine	C9H15N3O2S	229.0885	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03045	Ergothioneine	C9H15N3O2S	229.0885	http://www.hmdb.ca/metabolites/HMDB03045	HMDB	NA	NA
+EUR051	Ergothioneine	C9H15N3O2S	229.0885	Wishlist	Inhousejuil11	NA	NA
+HMDB03045	Ergothioneine	C9H15N3O2S	229.0885	HMDB03045	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03045	Ergothioneine	C9H15N3O2S	229.088501	NA	HMDB2010	NA	NA
+CJneg0430	Tetrahydrohippuric acid [(M-H)+(HCOOH)]-	C10H14NO5	229.095525	C18rt(min)=6.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0430	Tetrahydrohippuric acid [(M-H)+(HCOOH)]-	C10H14NO5	229.095525	C18rt(min)=6.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+6987	coeliac toxic peptide	PSQQ	229.1	MH2+	Inhouse_peptide	NA	peptide
+PJ000062	PN 	C9H15N3O4	229.1063	NA	PeJP	NA	NA
+C14312	Propazine	C9H16ClN5	229.1094	NA	KEGG	NA	NA
+MJ011241	5-(Hydroxymethyl)-1H-pyrrole-2-carboxaldehyde; N-(2-Phenylethyl) 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011242	6-(3-Methyl-2-butenyl)-1H-indole-3-carboxylic acid 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011243	6-Oxo-2,4-hexadienoic acid, 2-Phenylethylamide 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011244	Acequinoline 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011245	Dilemmaone A 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011246	Haplafine 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011247	Haplofoline 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+MJ011248	Oligophyline; N-De-Me 	C14H15NO2	229.110278	NA	MeJP	NA	NA
+8269	f(118-121) of bovine kappa casein	EIPT	229.1125	MH2+	Inhouse_peptide	NA	peptide
+3387	ACE inhibitor	RFH	229.1135	MH2+	Inhouse_peptide	NA	peptide
+8057	synthetic peptide	RHF	229.1135	MH2+	Inhouse_peptide	NA	peptide
+MJ011249	2-Amino-3-hydroxy-4-methyl-6-octenoic acid, N-Ac 	C11H19NO4	229.131408	NA	MeJP	NA	NA
+HMDB13126	Butenylcarnitine	C11H19NO4	229.131409	NA	HMDB2010	NA	NA
+MJ011250	2,4,6-Decatrienoic acid dehydropiperidide, 8,9-Didehydro 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011251	2,4-Undecadiene-8,10-diynoic acid, 2-Methylpropylamide 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011252	2,8-Decadiene-4,6-diynoic acid, 2-Methylpropylamide, N-Me 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011253	2,8-Decadiene-4,6-diynoic acid, 3-Methylbutylamide 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011254	2-(1-Ethylpropyl)-1-methyl-4(1H)-quinolinone 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011255	2-(1-Ethylpropyl)-4-methoxyquinoline 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011256	2-Pentyl-4(1H)-quinolinone; OH-form, Me ether 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011257	3-Methyl-2-pentyl-4(1H)-quinolinone 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011258	Atractylenolactam 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011259	Darlinine; 2-Ketone 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011260	Ferrugine 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011261	Furfenorex 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011262	Ipalbidine 	C15H19NO	229.146664	NA	MeJP	NA	NA
+MJ011263	Pronetalol 	C15H19NO	229.146664	NA	MeJP	NA	NA
+C11707	Pronethalol	C15H19NO	229.1467	NA	KEGG	NA	NA
+MJ011264	Xestoamine 	C14H19N3	229.157897	NA	MeJP	NA	NA
+MJ011265	1-(1-Phenylcyclohexyl)pyrrolidine 	C16H23N	229.183049	NA	MeJP	NA	NA
+MJ011266	Axamide 1; 7,11-Didehydro, isocyanide 	C16H23N	229.183049	NA	MeJP	NA	NA
+MJ011267	Hirudonine 	C9H23N7	229.201493	NA	MeJP	NA	NA
+MJ011268	2-(2-Hydroxybutyl)-6-(2-hydroxypropyl)-1-methylpiperidine 	C13H27NO2	229.204179	NA	MeJP	NA	NA
+C13795	2S-Amino-tridecanoic acid	C13H27NO2	229.2042	NA	KEGG	NA	NA
+MJ011269	2-Amino-3-tetradecanol 	C14H31NO	229.240564	NA	MeJP	NA	NA
+7924	synthetic peptide	DYY	229.57645	MH2+	Inhouse_peptide	NA	peptide
+7925	synthetic peptide	YDY	229.57645	MH2+	Inhouse_peptide	NA	peptide
+7926	synthetic peptide	YYD	229.57645	MH2+	Inhouse_peptide	NA	peptide
+8167	peptide derived from human fibrinogen a-chain	RGDX	229.61645	MH2+	Inhouse_peptide	NA	peptide
+C15505	2,3,5,6-Tetrachlorophenol	C6H2Cl4O	229.886	NA	KEGG	NA	NA
+C15506	Steroid ester	C6H2Cl4O	229.886	NA	KEGG	NA	NA
+C15507	Steroid lactone	C6H2Cl4O	229.886	NA	KEGG	NA	NA
+MetaCyc02132	S4O6 []	H6O6S4	229.904721	NA	metacyc	NA	NA
+MJ011270	(2-Methylpropyl)pentathiane 	C5H10S5	229.938603	NA	MeJP	NA	NA
+C14644	4-Bromophenylthiourea	C7H7BrN2S	229.9513	NA	KEGG	NA	NA
+JH121	Citric acid [M+K]+	NA	229.9702	2.57	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH121	Citric acid [M+K]+	NA	229.9702	2.57	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH121	Citric acid [M+K]+	NA	229.9702	2.57	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH121	Citric acid [M+K]+	NA	229.9702	2.57	Inhousejuil11	NA	NA
+MJ011271	4-Bromo-2-(guanidinomethyl)pyrrole; ?-Oxo 	C6H7BrN4O	229.980323	NA	MeJP	NA	NA
+CJpos0594	Citric acid [M+K]+	C6H8O7K	229.982375	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0594	Citric acid [M+K]+	C6H8O7K	229.982375	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ011272	5-[5-(Ethynyl-2-thienyl)ethynyl]-2,3-dihydrothiophene-3-ol; 3-Ketone 	C12H6OS2	229.986006	NA	MeJP	NA	NA
+MJ011273	Diazoxide 	C8H7ClN2O2S	229.991675	NA	MeJP	NA	NA
+C06949	Diazoxide	C8H7ClN2O2S	229.9917	NA	KEGG	NA	NA
+MJ011274	Clidafidine 	C9H8Cl2N2O	230.001368	NA	MeJP	NA	NA
+C13844	DCEBIO	C9H8Cl2N2O	230.0014	NA	KEGG	NA	NA
+C07034	Guanabenz	C8H8Cl2N4	230.0126	NA	KEGG	NA	NA
+MJ011275	Guanabenz 	C8H8Cl2N4	230.012601	NA	MeJP	NA	NA
+JH089	Hippuric acid (-glycine : 2M+Na]+	NA	230.0161	10.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH089	Hippuric acid (-glycine : 2M+Na]+	NA	230.0161	10.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH089	Hippuric acid (-glycine : 2M+Na]+	NA	230.0161	10.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH089	Hippuric acid (-glycine : 2M+Na]+	NA	230.0161	10.55	Inhousejuil11	NA	NA
+HMDB00618	D-Ribulose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB00618	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01548	D-Ribose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB01548	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00618	D-Ribulose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB00618	HMDB	NA	NA
+HMDB00868	Xylulose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB00868	HMDB	NA	NA
+HMDB01489	Ribose 1-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB01489	HMDB	NA	NA
+HMDB01548	D-Ribose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB01548	HMDB	NA	NA
+HMDB06534	D-Xylulose 1-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB06534	HMDB	NA	NA
+HMDB00618	D-Ribulose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB00618	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01548	D-Ribose 5-phosphate	C5H11O8P	230.01915	http://www.hmdb.ca/metabolites/HMDB01548	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00618	D-Ribulose 5-phosphate	C5H11O8P	230.01915	HMDB00618	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00868	Xylulose 5-phosphate	C5H11O8P	230.01915	HMDB00868	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01489	Ribose 1-phosphate	C5H11O8P	230.01915	HMDB01489	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01548	D-Ribose 5-phosphate	C5H11O8P	230.01915	HMDB01548	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06534	D-Xylulose 1-phosphate	C5H11O8P	230.01915	HMDB06534	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00618	D-Ribulose 5-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+HMDB00868	Xylulose 5-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+HMDB01489	Ribose 1-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+HMDB01548	D-Ribose 5-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+HMDB06534	D-Xylulose 1-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+HMDB11734	D-Arabinose 5-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+HMDB12195	Beta-L-arabinose 1-phosphate	C5H11O8P	230.01915	NA	HMDB2010	NA	NA
+MJ011276	D-Arabinose 5-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011277	D-Ribose 1-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011278	D-Ribose 5-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011279	D-Ribulose 5-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011280	D-Xylulose 5-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011281	L-Ribulose 5-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011282	L-Xylulose 5-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MJ011283	alpha-D-Xylose 1-phosphate 	C5H11O8P	230.019153	NA	MeJP	NA	NA
+MetaCyc02133	&beta;-L-arabinose 1-phosphate [&beta;-L-arabinose 1-P;]	C5H11O8P1	230.019154	NA	metacyc	NA	NA
+MetaCyc02134	ribose-1-phosphate [D-ribose-1-phosphate;&alpha;-D-ribose-1P;&alpha;-D-ribofuranose 1-phosphate;&alpha;-D-ribose-1-phosphate;]	C5H11O8P1	230.019154	14075-00-4	metacyc	NA	NA
+MetaCyc02135	D-ribulose-1-phosphate [D-ribulose-1-P;]	C5H11O8P1	230.019154	NA	metacyc	NA	NA
+MetaCyc02136	&alpha;-D-xylose 1-phosphate []	C5H11O8P1	230.019154	NA	metacyc	NA	NA
+MetaCyc02137	D-ribulose-5-phosphate [ribulose-5P;D-ribulose-5-P;ribulose-5-P;ribulose-5-phosphate;]	C5H11O8P1	230.019154	4151-19-3	metacyc	NA	NA
+MetaCyc02138	L-ribulose-5-phosphate [L-ribulose-5-P;ribulose-5-phosphate;ribulose-5-P;]	C5H11O8P1	230.019154	2922-69-2	metacyc	NA	NA
+MetaCyc02139	D-xylulose-5-phosphate [xylulose-5-phosphate;xylulose-phosphate;D-xylulose-5-P;xylulose-P;]	C5H11O8P1	230.019154	60802-29-1	metacyc	NA	NA
+MetaCyc02140	D-ribose-5-phosphate [D-ribose-5-phosphate;D-ribose-5-phosphoric acid;ribose-5-phosphoric acid;ribose-5P;D-ribose-5-P;ribose-5-P;ribose-5-phosphate;&alpha;-D-ribose-5-phosphate;]	C5H11O8P1	230.019154	4300-28-1	metacyc	NA	NA
+MetaCyc02141	L-xylulose-5-phosphate [L-xylulose-5-P;xylulose-5-phosphate;xylulose-5-P;]	C5H11O8P1	230.019154	NA	metacyc	NA	NA
+MetaCyc02142	D-arabinose 5-phosphate [D-arabinose-5-P;arabinose-5P;D-A-5-P;arabinose 5-phosphate;arabinose-5-P;]	C5H11O8P1	230.019154	13137-52-5	metacyc	NA	NA
+C00117	D-Ribose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C00199	D-Ribulose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C00231	D-Xylulose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C00620	alpha-D-Ribose 1-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C00621	Dolichyl diphosphate	C20H38O7P2	230.0192	NA	KEGG	NA	NA
+C01101	L-Ribulose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C01112	D-Arabinose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C03291	L-Xylulose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C03736	alpha-D-Ribose 5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C03737	alpha-D-Xylose 1-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C03906	beta-L-Arabinose 1-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C06238	L-Arabinose 1-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C06239	alpha-L-Arabinose 1-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C06441	L-Xylulose 1-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C06814	D-Xylose-5-phosphate	C5H11O8P	230.0192	NA	KEGG	NA	NA
+C06816	Transferred to D00224	C5H11O8P	230.0192	NA	KEGG	NA	NA
+MJ011284	5-Formyl-9-hydroxy-2H-furo[3,2-g][1]benzopyran-2-one 	C12H6O5	230.021523	NA	MeJP	NA	NA
+MJ011285	3-(3-Buten-1-ynyl)-6-(3-penten-1-ynyl)-1,2-dithiin 	C13H10S2	230.022391	NA	MeJP	NA	NA
+MJ011286	5,10,12-Tridecadiene-2,8-diyne-4,7-thione 	C13H10S2	230.022391	NA	MeJP	NA	NA
+MJ011287	5-(1-Propenyl)-5'-vinyl-2,2'-bithiophene; 1''',2'''-Didehydro 	C13H10S2	230.022391	NA	MeJP	NA	NA
+MJ011288	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Deoxy 	C13H10S2	230.022391	NA	MeJP	NA	NA
+MJ011289	5-Chloro-1-hydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, Me ester 	C10H11ClO4	230.034586	NA	MeJP	NA	NA
+CJneg0431	Isoferulic acid [(M+Cl)]-	C10H10ClO4	230.035125	C18rt(min)=6.64 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0431	Isoferulic acid [(M+Cl)]-	C10H10ClO4	230.035125	C18rt(min)=6.64 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011290	7-Amino-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 	C8H10N2O4S	230.036127	NA	MeJP	NA	NA
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR306	Gluthation oxyde F8	NA	230.036175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR306	Gluthation oxyde F8	NA	230.036175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR306	Gluthation oxyde F8	NA	230.036175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR306	Gluthation oxyde F8	NA	230.036175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR306	glutathione oxidized F8	F8	230.036175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0432	Quinic acid [(M+Cl)]- (37Cl)	C7H12Cl037ClO6	230.037625	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0432	Quinic acid [(M+Cl)]- (37Cl)	C7H12Cl037ClO6	230.037625	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011291	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy 	C13H10O2S	230.04015	NA	MeJP	NA	NA
+MJ011292	6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyne-1,2-diol 	C13H10O2S	230.04015	NA	MeJP	NA	NA
+MJ011293	3-(2-Thiazolyl)-1H-indole; 6-Methoxy 	C12H10N2OS	230.051383	NA	MeJP	NA	NA
+MJ011294	3-(4,5-Dihydro-2-thiazolecarbonyl)-1H-indole 	C12H10N2OS	230.051383	NA	MeJP	NA	NA
+C06356	2,4,6-Trihydroxybenzophenone	C13H10O4	230.0579	NA	KEGG	NA	NA
+C06357	Alkyl cinnamate	C9H7O2R	230.0579	NA	KEGG	NA	NA
+C07718	2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid	C13H10O4	230.0579	NA	KEGG	NA	NA
+C07725	2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid	C13H10O4	230.0579	NA	KEGG	NA	NA
+C09049	Visnagin	C13H10O4	230.0579	NA	KEGG	NA	NA
+C12085	Bis-noryangonin	C13H10O4	230.0579	NA	KEGG	NA	NA
+C16263	2,3-Dihydroxy-2'-carboxybiphenyl	C13H10O4	230.0579	NA	KEGG	NA	NA
+MJ011295	2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011296	2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011297	1,4-Azulenedicarboxylic acid; 1-Me ester 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011298	2',4'-Dihydroxy-2-biphenylcarboxylic acid 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011299	3,4-Dihydro-1-hydroxy-1H-naphtho[2,3-c]pyran-5,10-dione 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011300	3-Acetyl-4-hydroxy-6-phenyl-2H-pyran-2-one 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011301	5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 8-Hydroxy 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011302	6-Acetyl-5-hydroxy-7-methyl-1,4-naphthoquinone 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011303	6-[2-(4-Hydroxyphenyl)ethenyl]-2H-pyran-2-one, 3'-Hydroxy 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011304	Coniochaetone B, 1-Ketone 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011305	Coriandrin 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011306	Mycosinol; 8,9-Epoxide 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011307	Nocardione A 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011308	Psychorubrin 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011309	Syriacusin C 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011310	Visnagin 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011311	Wyeronic acid 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MJ011312	Yangonin; Di-O-de-Me 	C13H10O4	230.057908	NA	MeJP	NA	NA
+MetaCyc02143	bis-noryangonin [BNY;]	C13H10O4	230.057909	NA	metacyc	NA	NA
+MetaCyc02144	2,4,6-trihydroxybenzophenone []	C13H10O4	230.057909	NA	metacyc	NA	NA
+MetaCyc02145	3-2-carboxyphenylcatechol [CPC;]	C13H10O4	230.057909	NA	metacyc	NA	NA
+MetaCyc02146	2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoate [2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid;]	C13H10O4	230.057909	NA	metacyc	NA	NA
+MetaCyc02147	2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoate [2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid;]	C13H10O4	230.057909	NA	metacyc	NA	NA
+C11800	Thiaburimamide	C8H14N4S2	230.066	NA	KEGG	NA	NA
+MJ011313	Fluminorex 	C10H9F3N2O	230.066697	NA	MeJP	NA	NA
+MJ011314	2,5-Diamino-1,4-benzoquinone; N-(2-Hydroxyphenyl) 	C12H10N2O3	230.069142	NA	MeJP	NA	NA
+C11732	Diethyl phenyl phosphate	C10H15O4P	230.0708	NA	KEGG	NA	NA
+MJ011315	Asperlinol 	C10H14O6	230.079038	NA	MeJP	NA	NA
+MJ011316	Riddellic acid 	C10H14O6	230.079038	NA	MeJP	NA	NA
+MJ011317	1H-Imidazo[4,5-f]quinazoline-7,9(6H,8H)-dione; 6,8-Di-Me 	C11H10N4O2	230.080375	NA	MeJP	NA	NA
+MJ011318	Metizoline 	C13H14N2S	230.087769	NA	MeJP	NA	NA
+HMDB02335	Aspartyl-L-proline	C9H14N2O5	230.09027	http://www.hmdb.ca/metabolites/HMDB02335	HMDB	NA	NA
+HMDB02335	Aspartyl-L-proline	C9H14N2O5	230.09027	HMDB02335	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02335	Aspartyl-L-proline	C9H14N2O5	230.090271	NA	HMDB2010	NA	NA
+MJ011319	1-Aminocyclopropanecarboxylic acid; N-(L-?-Glutamyl) 	C9H14N2O5	230.090271	NA	MeJP	NA	NA
+MJ011320	N-Glutamyl-(3-amino-2-methylenepropanoic acid) 	C9H14N2O5	230.090271	NA	MeJP	NA	NA
+MJ011321	?-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid 	C9H14N2O5	230.090271	NA	MeJP	NA	NA
+PJ000063	PD 	C9H14N2O5	230.0903	NA	PeJP	NA	NA
+HMDB01923	Naproxen	C14H14O3	230.09428	http://www.hmdb.ca/metabolites/HMDB01923	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01923	Naproxen	C14H14O3	230.09428	http://www.hmdb.ca/metabolites/HMDB01923	HMDB	NA	NA
+HMDB01923	Naproxen	C14H14O3	230.09428	http://www.hmdb.ca/metabolites/HMDB01923	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01923	Naproxen	C14H14O3	230.09428	HMDB01923	PFEM_hmdb_metabocards_official	NA	NA
+MJ011322	1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011323	1-(2,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011324	1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011325	1-(3,5-Dihydroxyphenyl)-2-(2-hydroxyphenyl)ethane 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011326	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011327	14-Norfuranoeudesm-5(10)-ene-6,9-dione; 4?-form 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011328	2,3',5'-Trihydroxy-6-methylbiphenyl; 3'-Me ether 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011329	2-(2,4-Hexadiynoyl)-1,6-dioxaspiro[4,5]dec-3-ene 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011330	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene, Deoxy, 3,4-epoxy 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011331	2-Acetyl-3-methyl-1,8-naphthalenediol; 8-Me ether 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011332	3,3'-Oxybis[5-methylphenol] 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011333	3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011334	3-(2,3-Dihydro-2-isopropenyl-5-benzofuranyl)-2-propenoic acid 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011335	3-Hydroxy-5-methyl-1-naphthalenecarboxylic acid; Me ether, Me ester 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011336	4-Hydroxymethyl-1-azulenecarboxylic acid; Me ether, Me ester 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011337	4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011338	5-Acetyl-6-hydroxy-2-isopropenylbenzofuran; Me ether 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011339	7-Hydroxy-6-prenylcoumarin 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011340	7-[(3-Methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011341	8-Hydroxy-3-isopropyl-7-methyl-1,2-naphthoquinone 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011342	9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol, 8,9-Epoxide, aldehyde 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011343	Angustifolin 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011344	Bis(4-hydroxybenzyl) ether 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011345	Dendranthemenol 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011346	Eucalyptene 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011347	Hibiscoquinone B; 10-Deoxy 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011348	Kawain 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011349	Lexofenac 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011350	Naproxen 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011351	Osthenol 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011352	Platyphyllide; 1-Hydroxy 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011353	Platyphyllide; 2-Hydroxy 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011354	Pondaplin 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011355	Senoxepin 	C14H14O3	230.094294	NA	MeJP	NA	NA
+MJ011356	Xanthyletin; 1',2'-Dihydro 	C14H14O3	230.094294	NA	MeJP	NA	NA
+HMDB01923	Naproxen	C14H14O3	230.094299	NA	HMDB2010	NA	NA
+C01517	Naproxen	C14H14O3	230.0943	NA	KEGG	NA	NA
+C08762	6-O-Methyleuparin	C14H14O3	230.0943	NA	KEGG	NA	NA
+C09918	Aucuparin	C14H14O3	230.0943	NA	KEGG	NA	NA
+C09947	Kawain	C14H14O3	230.0943	NA	KEGG	NA	NA
+C10253	Demethylbatatasin IV	C14H14O3	230.0943	NA	KEGG	NA	NA
+C10255	Dihydroresveratrol	C14H14O3	230.0943	NA	KEGG	NA	NA
+C11492	NOPM	C14H14O3	230.0943	NA	KEGG	NA	NA
+C18080	Osthenol	C14H14O3	230.0943	NA	KEGG	NA	NA
+C18083	Demethylsuberosin	C14H14O3	230.0943	NA	KEGG	NA	NA
+C05570	Ergothioneine	C9H16N3O2S	230.0963	NA	KEGG	NA	NA
+MJ011357	Ergothioneine 	C9H16N3O2S	230.096322	NA	MeJP	NA	NA
+MJ011358	1,2,3,4-Tetrahydro-1-methyl-?-carboline-3-carboxylic acid 	C13H14N2O2	230.105527	NA	MeJP	NA	NA
+MJ011359	Batoprazine 	C13H14N2O2	230.105527	NA	MeJP	NA	NA
+MJ011360	Harmalicine 	C13H14N2O2	230.105527	NA	MeJP	NA	NA
+MJ011361	Metomidate 	C13H14N2O2	230.105527	NA	MeJP	NA	NA
+MJ011362	Naprodoxime 	C13H14N2O2	230.105527	NA	MeJP	NA	NA
+MJ011363	Soretolide 	C13H14N2O2	230.105527	NA	MeJP	NA	NA
+MJ011364	2-(6-Hydroxyhexyl)-3-methylenebutanedioic acid 	C11H18O5	230.115423	NA	MeJP	NA	NA
+MJ011365	6-(1,2-Dihydroxypentyl)-5,6-dihydro-4-methoxy-2H-pyran-2-one 	C11H18O5	230.115423	NA	MeJP	NA	NA
+MJ011366	Dihydro-4-hydroxy-5-(1-hydroxy-4-methyl-2-pentenyl)-3-methoxy-2(3H)-furanone 	C11H18O5	230.115423	NA	MeJP	NA	NA
+2871	opioid lipotropin fr:88-91	KKGE	230.1255	MH2+	Inhouse_peptide	NA	peptide
+MJ011367	Terramide C 	C10H18N2O4	230.126657	NA	MeJP	NA	NA
+MJ011368	Sardomozide 	C11H14N6	230.127994	NA	MeJP	NA	NA
+MJ011369	1(10),2,4(15)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011370	1(10),2,4-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011371	1(10),2,4-Guaiatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011372	1(10),3,11(13)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011373	1(10),3,7(11)-Guaiatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011374	1(10),4(15),5,11(13)-Germacratetraen-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011375	1(10),4,11-Guaiatriene-3,9-dione 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011376	1(10),7(11),8-Eremophilatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011377	1,3,11(13)-Eudesmatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011378	1,3,5-Guaiatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011379	1,4(15),11(13)-Eudesmatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011380	1,4(15),7(11)-Eudesmatrien-12,8-olide; 8?-form 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011381	1,7(11),9-Eremophilatriene-3,8-dione 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011382	1,9,14-Pentadecatriene-4,6-diyne-3,8-diol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011383	1,9-Epoxy-1,3,5,10-bisabolatetraen-12-al 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011384	1-Hydroxy-3,7(14),10-bisabolatrien-8-yn-15-al 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011385	1-Hydroxy-9,14-pentadecadiene-4,6-diyn-3-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011386	10-Hydroxy-2,8-pentadecadiene-4,6-diynal 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011387	12-Hydroxy-1,3,5,10-bisabolatetraen-15-al; 12-Aldehyde 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011388	13-Deoxyisoonoceriolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011389	2(9),5,7-Lactaratrien-14,5-olide; 3?-form 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011390	2,5-Dimethyl-8-isopropyl-1,4-naphthoquinone; 3,4-Dihydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011391	2,6,10-Farnesatrien-8-yn-1,15-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011392	2,6,8-Decatrien-4-yn-1-ol, Angeloyl 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011393	2,6,8-Lactaratrien-5,14-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011394	2,7-Cadalenediol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011395	2,8-Decadiene-4,6-diyn-1-ol, 3-Methylbutanoyl ester 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011396	2-Decene-4,6-diyn-1-ol, Angeloyl 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011397	3,10(14),11(13)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011398	3,10(14),11(13)-Guaiatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011399	3,5,11(13)-Eudesmatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011400	3,6,10-Farnesatrien-8-yn-1,15-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011401	3,6,10-Farnesatrien-8-yne-1,15-dial 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011402	3,7(11),10(14)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011403	3,9,11(13)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011404	3-Oxo-1(10),4,11-guaiatrien-14-al 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011405	3-Oxo-1(10),4-aromadendradien-14-al 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011406	4(15),10(14),11(13)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011407	4(15),10(14),11(13)-Guaiatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011408	4(15),6,8-Hirsutatriene-5,10-dione; 4?,15-Dihydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011409	4(15),7(11)-Eudesmadien-12,8-olide, 8,9-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011410	4(15),9,11(13)-Guaiatrien-12,6-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011411	4,5-Secofuranoeremophila-3,5,9-trien-9-ol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011412	4,5-Secofuranoeremophila-5,9-dien-4-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011413	4,6,11(13)-Eudesmatrien-12,8-olide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011414	4,7-Isocedradiene-14,15-dial 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011415	4-Hydroxy-2-isopropyl-4,7-dimethyl-1(4H)-naphthalenone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011416	4-[2-(4-Methoxyphenyl)ethyl]-2-cyclohexen-1-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011417	5,11-Tridecadiene-7,9-diyn-4-ol; Ac 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011418	5,5-Dimethyl-1-phenyl-6-heptene-1,3-dione 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011419	5,7,13-Pentadecatriene-9,11-diyne-1,3-diol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011420	6,11-Epoxy-5,10-pinguisadien-3-one; 4,15-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011421	6,12-Epoxy-6,9,11-pseudoguaiatrien-8-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011422	6,8,10-Pentadecatriynoic acid 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011423	8,10,14-Pentadecatriene-4,6-diyne-3,12-diol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011424	8,12-Epoxy-1(10),4,7,11-germacratetraen-6-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011425	8,12-Epoxy-1(10),4,7,11-germacratetraen-9-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011426	8,12-Epoxy-4(15),7,11-eudesmatrien-1-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011427	Aoifuranone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011428	Botrydienal; 2,3-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011429	Cacalol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011430	Catalponol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011431	Cinalbicol; 1-Oxo 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011432	Cinariolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011433	Curzerenone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011434	Emmotin G 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011435	Furanoeremophil-1(10)-en-3-ol, 3-Ketone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011436	Furanoeremophil-1(10)-en-9-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011437	Furanoeremophil-1-en-3-one; 10?-form 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011438	Furanoeremophilan-1-one; 10àH-form, 9,10-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011439	Furanoeudesm-4-en-6-one 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011440	Furanoplagiochilal 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011441	Herbertenolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011442	Isocatalponol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011443	Isocinariolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011444	Isomyodesmone; 10,11-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011445	Isoparvifolinone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011446	Lasiosperman; 6E,7E-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011447	Laurequinone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011448	Lindenene; 6?-Hydroxy 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011449	Longifolin 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011450	Meruliolactone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011451	Myodesmone; 10,11-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011452	Nakafuran 8; 5-Oxo 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011453	Nootkatin; 2'',3''-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011454	Parvifolinone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011455	Phymaspermone 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011456	Pinguisanin; 4,15-Didehydro 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011457	Secocrispiolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011458	Secoeurabicanal 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011459	Secoeurabicol 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011460	Shizukanolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011461	Spiroeuryolide 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011462	Tavacfuran 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011463	Tetriprofen 	C15H18O2	230.130679	NA	MeJP	NA	NA
+MJ011464	Verboccidentafuran; 2-Oxo 	C15H18O2	230.130679	NA	MeJP	NA	NA
+C09387	Dehydrocostus lactone	C15H18O2	230.1307	NA	KEGG	NA	NA
+C09406	Eremanthin	C15H18O2	230.1307	NA	KEGG	NA	NA
+C09658	Dehydromyodesmone	C15H18O2	230.1307	NA	KEGG	NA	NA
+C15134	3-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)cyclopentanone	C15H18O2	230.1307	NA	KEGG	NA	NA
+C16943	Curzerenone	C15H18O2	230.1307	NA	KEGG	NA	NA
+C16960	Furanodienone	C15H18O2	230.1307	NA	KEGG	NA	NA
+C16988	Linderenol	C15H18O2	230.1307	NA	KEGG	NA	NA
+C17913	Isodehydrocostus lactone	C15H18O2	230.1307	NA	KEGG	NA	NA
+C10758	Camoensine	C14H18N2O	230.1419	NA	KEGG	NA	NA
+MJ011465	1,2,3,4-Tetrahydro-6-hydroxy-?-carboline; O,N2,N9-Tri-Me 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011466	1,2,3,4-Tetrahydro-6-methoxy-1-methyl-?-carboline; 2-Me 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011467	3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011468	Albine; 5,6-Didehydro 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011469	Camoensine 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011470	Cilutazoline 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011471	Ibudilast 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011472	Propyphenazone 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+MJ011473	Tinctorine; N-De-Me 	C14H18N2O	230.141913	NA	MeJP	NA	NA
+C02678	Dodecanedioic acid	C12H22O4	230.1518	NA	KEGG	NA	NA
+C14523	Diisopropyl adipate	C12H22O4	230.1518	NA	KEGG	NA	NA
+MJ011474	4,11-Dihydroxy-2-dodecenoic acid 	C12H22O4	230.151809	NA	MeJP	NA	NA
+MJ011475	Dihydro-3-(1-hydroxyheptyl)-4-(hydroxymethyl)-2(3H)furanone 	C12H22O4	230.151809	NA	MeJP	NA	NA
+MJ011476	Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)-2(3H)-furanone 	C12H22O4	230.151809	NA	MeJP	NA	NA
+MJ011477	Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)-2(3H)-furanone 	C12H22O4	230.151809	NA	MeJP	NA	NA
+MJ011478	Dodecanedioic acid 	C12H22O4	230.151809	NA	MeJP	NA	NA
+MJ011479	Talaromycin A 	C12H22O4	230.151809	NA	MeJP	NA	NA
+HMDB00623	Dodecanedioic acid	C12H22O4	230.15181	http://www.hmdb.ca/metabolites/HMDB00623	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00623	Dodecanedioic acid	C12H22O4	230.15181	http://www.hmdb.ca/metabolites/HMDB00623	HMDB	NA	NA
+HMDB00623	Dodecanedioic acid	C12H22O4	230.15181	http://www.hmdb.ca/metabolites/HMDB00623	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00623	Dodecanedioic acid	C12H22O4	230.15181	HMDB00623	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00623	Dodecanedioic acid	C12H22O4	230.15181	NA	HMDB2010	NA	NA
+8320	Glucose uptake stimulating peptide	VL	230.152	NA  ;SYN:(2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoate; (S)-2-Amino-4-(methylthio)butanoic acid; (S)-2-amino-4-(methylthio)-Butanoate; (S)-2-amino-4-(methylthio)-Butanoic acid; (S)-2-amino-4-(methylthio)butyric acid; (l)-methionine; (s)-(+)-methionine; (s)-methionine; 2-Amino-4-(methylthio)butyrate; 2-Amino-4-(methylthio)butyric acid; 2-Amino-4-methylthiobutanoic acid; A-amino-g-methylmercaptobutyrate; A-amino-g-methylmercaptobutyric acid; Acimethin; Alpha-amino-gamma-methylmercaptobutyric acid; Cymethion; G-methylthio-a-aminobutyrate; G-methylthio-a-aminobutyric acid; H-met-h; H-met-oh; L(-)-amino-alpha-amino-alpha-aminobutyric acid; L(-)-amino-gamma-methylthiobutyric acid; L-(-)-methionine; L-2-Amino-4methylthiobutyric acid; L-Methionine; L-a-amino-g-methylthiobutyrate; L-a-amino-g-methylthiobutyric acid; L-alpha-amino-gamma-methylmercaptobutyric acid; L-alpha-amino-gamma-methylthiobutyric acid; L-gamma-methylthio-alpha-aminobutyric acid; L-methionin; L-methioninum; Liquimeth; MET; Mepron; Methilanin; Methionine; Methioninum; Metionina; Neo-methidin; Poly-l-methionine; Polymethionine; S-methionine; S-methyl-l-homocysteine; Toxin WAR; alpha-amino-alpha-aminobutyric acid; gamma-methylthio-alpha-aminobutyric acid; l-2-Amino-4-(methylthio)butyric acid; alpha-amino-gamma-methylmercaptobutyrate; gamma-methylthio-alpha-aminobutyrate; L-alpha-amino-gamma-methylthiobutyrate; (2S)-2-amino-4-(methylsulfanyl)butanoate; 2-Amino-4-methylthiobutanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+8321	Glucose uptake stimulating peptide	LV	230.152	NA  ;SYN:(2S)-2-amino-4-(methylsulfanyl)butanoic acid; (S)-2-Amino-4-(methylthio)butanoate; (S)-2-Amino-4-(methylthio)butanoic acid; (S)-2-amino-4-(methylthio)-Butanoate; (S)-2-amino-4-(methylthio)-Butanoic acid; (S)-2-amino-4-(methylthio)butyric acid; (l)-methionine; (s)-(+)-methionine; (s)-methionine; 2-Amino-4-(methylthio)butyrate; 2-Amino-4-(methylthio)butyric acid; 2-Amino-4-methylthiobutanoic acid; A-amino-g-methylmercaptobutyrate; A-amino-g-methylmercaptobutyric acid; Acimethin; Alpha-amino-gamma-methylmercaptobutyric acid; Cymethion; G-methylthio-a-aminobutyrate; G-methylthio-a-aminobutyric acid; H-met-h; H-met-oh; L(-)-amino-alpha-amino-alpha-aminobutyric acid; L(-)-amino-gamma-methylthiobutyric acid; L-(-)-methionine; L-2-Amino-4methylthiobutyric acid; L-Methionine; L-a-amino-g-methylthiobutyrate; L-a-amino-g-methylthiobutyric acid; L-alpha-amino-gamma-methylmercaptobutyric acid; L-alpha-amino-gamma-methylthiobutyric acid; L-gamma-methylthio-alpha-aminobutyric acid; L-methionin; L-methioninum; Liquimeth; MET; Mepron; Methilanin; Methionine; Methioninum; Metionina; Neo-methidin; Poly-l-methionine; Polymethionine; S-methionine; S-methyl-l-homocysteine; Toxin WAR; alpha-amino-alpha-aminobutyric acid; gamma-methylthio-alpha-aminobutyric acid; l-2-Amino-4-(methylthio)butyric acid; alpha-amino-gamma-methylmercaptobutyrate; gamma-methylthio-alpha-aminobutyrate; L-alpha-amino-gamma-methylthiobutyrate; (2S)-2-amino-4-(methylsulfanyl)butanoate; 2-Amino-4-methylthiobutanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+8322	Glucose uptake stimulating peptide	IV	230.152	Bile-acid glycine conjugates  ;SYN:3a-Hydroxy-5b-cholanic acid glycine ester; 3a-Hydroxy-5b-cholanoylglycine; 3a-Hydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Glycolithocholic acid; Lithocholic acid glycine conjugate; Lithocholic acid glycine conjugic acid; Lithocholylglycine; N-(3a-Hydroxy-5b-cholanoyl)glycine; N-(3a-hydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a-hydroxy-5b-Cholan-24-amide; glycolithocholate; lithocholoyglycine; 3alpha-hydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide; 3alpha-hydroxy-5beta-cholan-24-oate; 3alpha-hydroxy-5beta-cholan-24-oic acidH2Bile; Blood	Inhouse_peptide	NA	peptide
+MJ011480	3,4-Diaminobutanoic acid, N4-Tri-Me, N3-butanoyl 	C11H22N2O3	230.163042	NA	MeJP	NA	NA
+PJ000064	VL 	C11H22N2O3	230.1631	NA	PeJP	NA	NA
+MJ011481	13,15-Hexadecadiene-2,4-diyn-1-ol 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011482	2,4-Bis(3-methyl-2-butenyl)phenol 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011483	4-(1,1-Dimethyl-2-propenyl)-2-(3-methyl-2-butenyl)phenol 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011484	6,8,12,14-Hexadecatetraen-10-yn-1-ol 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011485	6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011486	7,14-Hexadecadiene-10,12-diyn-1-ol 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011487	?-Calacorene, 3-Methoxy 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011488	Sporochnol C; 5'-Deoxy, ?5'-Isomer 	C16H22O	230.167065	NA	MeJP	NA	NA
+MJ011489	Aloperine; 11,12-Didehydro 	C15H22N2	230.178298	NA	MeJP	NA	NA
+MJ011490	Etaminile 	C15H22N2	230.178298	NA	MeJP	NA	NA
+MJ011491	1,11-Undecanediol; Mono-Ac 	C13H26O3	230.188194	NA	MeJP	NA	NA
+MJ011492	3,4-Epoxy-5-isopropyl-2-methyl-2,8-nonanediol 	C13H26O3	230.188194	NA	MeJP	NA	NA
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	HMDB	NA	NA
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	Inhouse_PFEM	NA	NA
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.188195	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.1882	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.1882	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.1882	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR005	4-hydroxy-non-2-enal-diethylacetal	C13H26O3	230.1882	Wishlist	Inhousejuil11	NA	NA
+MJ011493	2,2,9,9-Tetramethyl-1,10-decanediol 	C14H30O2	230.22458	NA	MeJP	NA	NA
+MJ011494	Homospermine 	C12H30N4	230.247046	NA	MeJP	NA	NA
+8079	synthetic peptide	RWT	230.6135	MH2+	Inhouse_peptide	NA	peptide
+MJ011495	1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione 	C3Cl3N3O3	230.900524	NA	MeJP	NA	NA
+MJ011496	5-Bromo-N,2-dihydroxybenzamide 	C7H6BrNO3	230.953105	NA	MeJP	NA	NA
+MJ011497	(Iminodiacetato)oxoperoxyvanadate(V)(1-) 	C4H5NO7V(-)	230.95839	NA	MeJP	NA	NA
+CJneg0433	Trigonelline (and isomer) [(M+Cl)+(NaCl)]-	C7H7Cl2NNaO2	230.983525	C18rt(min)=0.93 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0433	Trigonelline (and isomer) [(M+Cl)+(NaCl)]-	C7H7Cl2NNaO2	230.983525	C18rt(min)=0.93 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011498	4-Diazo-3-(hydroxymethyl)phenol; 1-O-Sulfate 	C7H7N2O5S	231.007567	NA	MeJP	NA	NA
+C03624	N-Phosphohypotaurocyamine	C3H10N3O5PS	231.0079	NA	KEGG	NA	NA
+C03625	N5-Acyl-L-ornithine ester	C6H10N2O3R2	231.0079	NA	KEGG	NA	NA
+MJ011499	Sulfathiourea 	C7H9N3O2S2	231.013617	NA	MeJP	NA	NA
+MJ011500	4-[(2-Aminopropyl)seleno]phenol 	C9H13NOSe	231.016235	NA	MeJP	NA	NA
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	HMDB	NA	NA
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	Inhouse_PFEM	NA	NA
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC018	Paracetamol sulfate	NA	231.0238	RT6.3	PFEM_hmdb_metabocards_official	NA	NA
+MJ011501	?-Amino-4-phosphonobenzeneacetic acid 	C8H10NO5P	231.029658	NA	MeJP	NA	NA
+MJ011502	2-Amino-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoic acid 	C9H10ClNO4	231.029835	NA	MeJP	NA	NA
+CJneg0434	p-Hydroxyhippuric acid [(M+Cl)]-	C9H9ClNO4	231.030425	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0435	?-hydroxyhippuric acid [(M+Cl)]-	C9H9ClNO4	231.030425	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0434	p-Hydroxyhippuric acid [(M+Cl)]-	C9H9ClNO4	231.030425	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0435	?-hydroxyhippuric acid [(M+Cl)]-	C9H9ClNO4	231.030425	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011503	Isoniazid; N2'-Methanesulfonyl 	C7H9N3O4S	231.031376	NA	MeJP	NA	NA
+MJ011504	2-Acetyl-3-amino-5-hydroxy-1,4-naphthoquinone 	C12H9NO4	231.053157	NA	MeJP	NA	NA
+MJ011505	3-Hydroxy-1,4-naphthoquinone-2-carboxylic acid; Me ether, amide 	C12H9NO4	231.053157	NA	MeJP	NA	NA
+MJ011506	Nitrafudam 	C11H9N3O3	231.064391	NA	MeJP	NA	NA
+MJ011507	Zyzzin; 5-Oxo analogue, 3,4-dihydro, 4-hydroxy 	C11H9N3O3	231.064391	NA	MeJP	NA	NA
+HMDB01180	N2-Succinyl-L-glutamic acid 5-semialdehyde	C9H13NO6	231.07428	NA	HMDB2010	NA	NA
+MJ011508	N-Acetyl-L-2-amino-6-oxopimelate 	C9H13NO6	231.074287	NA	MeJP	NA	NA
+MJ011509	N2-Succinyl-L-glutamate 5-semialdehyde 	C9H13NO6	231.074287	NA	MeJP	NA	NA
+MetaCyc02148	L-2-acetamido-6-oxoheptanedioate [N-acetyl-L-2-amino-6-oxo-pimelate;N-acetyl-2-amino-6-ketopimelate;]	C9H13N1O6	231.074287	NA	metacyc	NA	NA
+MetaCyc02149	N2-succinyl-L-glutamate 5-semialdehyde [N2-succinylglutamic-semialdehyde;N2-succinylglutamate semialdehyde;N2-succinylglutamic semialdehyde;]	C9H13N1O6	231.074287	NA	metacyc	NA	NA
+HMDB01180	N2-Succinyl-L-glutamic acid 5-semialdehyde	C9H13NO6	231.0743	http://www.hmdb.ca/metabolites/HMDB01180	HMDB	NA	NA
+C05539	N-Acetyl-L-2-amino-6-oxopimelate	C9H13NO6	231.0743	NA	KEGG	NA	NA
+C05544	Protein N6-methyl-L-lysine	C8H15N3O2R2	231.0743	NA	KEGG	NA	NA
+C05545	Protein N6,N6-dimethyl-L-lysine	C9H17N3O2R2	231.0743	NA	KEGG	NA	NA
+C05546	Protein N6,N6,N6-trimethyl-L-lysine	C10H20N3O2R2	231.0743	NA	KEGG	NA	NA
+C05932	N-Succinyl-L-glutamate 5-semialdehyde	C9H13NO6	231.0743	NA	KEGG	NA	NA
+HMDB01180	N2-Succinyl-L-glutamic acid 5-semialdehyde	C9H13NO6	231.0743	HMDB01180	PFEM_hmdb_metabocards_official	NA	NA
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR232	Acide sialique F6	NA	231.078075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR232	Acide sialique F6	NA	231.078075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR232	Acide sialique F6	NA	231.078075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR232	Acide sialique F6	NA	231.078075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR232	Sialic acid F6	F6	231.078075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	NA	231.078375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	NA	231.078375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	NA	231.078375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR312	Nicotinamide adénine di nucléotide phosphate F5	F5	231.078375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	NA	231.078375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR312	Nicotinamide adenine di nucleotide phosphate F5	F5	231.078375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ011510	Flumexadol 	C11H12F3NO	231.087098	NA	MeJP	NA	NA
+C06444	Benzoyldehydro-2,3-dihydroxy-benzone	C13H13NO3	231.0895	NA	KEGG	NA	NA
+MJ011511	2-Hydroxy-1-(1H-indol-3-yl)-1,4-pentanedione 	C13H13NO3	231.089543	NA	MeJP	NA	NA
+MJ011512	4-Hydroxy-2-methylquinoline; NH-form, N-Acetoxymethyl 	C13H13NO3	231.089543	NA	MeJP	NA	NA
+MJ011513	5,6-Dihydro-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-2(1H)-pyridinone 	C13H13NO3	231.089543	NA	MeJP	NA	NA
+MJ011514	Anthosamine A 	C13H13NO3	231.089543	NA	MeJP	NA	NA
+MJ011515	Isocarboxazid 	C12H13N3O2	231.100776	NA	MeJP	NA	NA
+MJ011516	Preclathridine A 	C12H13N3O2	231.100776	NA	MeJP	NA	NA
+MJ011517	Tri-1-aziridinyl-1,4-benzoquinone 	C12H13N3O2	231.100776	NA	MeJP	NA	NA
+HMDB00726	Isovalerylglutamic acid	C10H17NO5	231.11067	http://www.hmdb.ca/metabolites/HMDB00726	HMDB	NA	NA
+HMDB00953	Suberylglycine	C10H17NO5	231.11067	http://www.hmdb.ca/metabolites/HMDB00953	HMDB	NA	NA
+HMDB00726	Isovalerylglutamic acid	C10H17NO5	231.11067	HMDB00726	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00953	Suberylglycine	C10H17NO5	231.11067	HMDB00953	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00726	Isovalerylglutamic acid	C10H17NO5	231.110672	NA	HMDB2010	NA	NA
+HMDB00953	Suberylglycine	C10H17NO5	231.110672	NA	HMDB2010	NA	NA
+MJ011518	1-Isothiocyanato-9-(methylthio)nonane 	C11H21NS2	231.111541	NA	MeJP	NA	NA
+MJ011519	Oroidin; 2,3-Didebromo 	C11H13N5O	231.11201	NA	MeJP	NA	NA
+PJ000065	VN 	C9H17N3O4	231.1219	NA	PeJP	NA	NA
+7603	ACE inhibitor	GR	231.122	antioxidative	Inhouse_peptide	NA	peptide
+MJ011520	Fenfluramine 	C12H16F3N	231.123484	NA	MeJP	NA	NA
+C06996	Fenfluramine	C12H16F3N	231.1235	NA	KEGG	NA	NA
+C10703	Leiokinine A	C14H17NO2	231.1259	NA	KEGG	NA	NA
+C10918	Indeloxazine	C14H17NO2	231.1259	NA	KEGG	NA	NA
+MJ011521	1-Azabicyclo[2.2.2]octan-3-ol, Benzoyl 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011522	2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-pentanone 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011523	2-Methyl-4-(3-indolyl)-1-butanol, Carboxylic acid, Me ester 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011524	3-(3-Hydroxyphenyl)-2-propenoic acid, Me ether, pyrrolidide 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011525	3-Methoxy-1-methyl-2-propyl-4(1H)-quinolinone 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011526	8-Azabicyclo[3.2.1]octan-3-ol, O-Benzoyl 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011527	8-Azabicyclo[3.2.1]octan-3-ol, N-Benzoyl 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+MJ011528	Indeloxazine 	C14H17NO2	231.125928	NA	MeJP	NA	NA
+PJ000066	GR 	C8H17N5O3	231.1332	NA	PeJP	NA	NA
+MJ011529	3-(2-Aminoethyl)-N-methyl-1H-indole-5-acetamide 	C13H17N3O	231.137162	NA	MeJP	NA	NA
+MJ011530	Aminophenazone 	C13H17N3O	231.137162	NA	MeJP	NA	NA
+C07539	Aminopyrine	C13H17N3O	231.1372	NA	KEGG	NA	NA
+CJpos0595	Butyrylcarnitine [(M+H)]+	C11H22NO4	231.146475	C18rt(min)=4.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0595	Butyrylcarnitine [(M+H)]+	C11H22NO4	231.146475	C18rt(min)=4.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB02013	Butyrylcarnitine	C11H21NO4	231.14706	http://www.hmdb.ca/metabolites/HMDB02013	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00736	Isobutyryl-L-carnitine	C11H21NO4	231.14706	http://www.hmdb.ca/metabolites/HMDB00736	HMDB	NA	NA
+HMDB02013	Butyrylcarnitine	C11H21NO4	231.14706	http://www.hmdb.ca/metabolites/HMDB02013	HMDB	NA	NA
+HMDB00736	Isobutyryl-L-carnitine	C11H21NO4	231.14706	Dipeptides  ;SYN:Histidyl-proline-diketopiperazine; Histidyl-proline diketopiperazine; Cyclo(his-pro); Cyclo(histidyl-prolyl); His-pro-DKPH2Blood	Inhouse_peptide	NA	peptide
+HMDB02013	Butyrylcarnitine	C11H21NO4	231.14706	NA  ;SYN:(2R)-2-amino-3-hydroxypropanoate; (2R)-2-amino-3-hydroxypropanoic acid; (R)-2-amino-3-hydroxypropanoate; (R)-2-amino-3-hydroxypropanoic acid; D-Serin; DL-Serine; DSN; Serine D-formH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB02013	Butyrylcarnitine	C11H21NO4	231.14706	http://www.hmdb.ca/metabolites/HMDB02013	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00736	Isobutyryl-L-carnitine	C11H21NO4	231.14706	HMDB00736	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02013	Butyrylcarnitine	C11H21NO4	231.14706	HMDB02013	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00736	Isobutyryl-L-carnitine	C11H21NO4	231.147064	NA	HMDB2010	NA	NA
+HMDB02013	Butyrylcarnitine	C11H21NO4	231.147064	NA	HMDB2010	NA	NA
+C02862	O-Butanoylcarnitine	C11H21NO4	231.1471	NA	KEGG	NA	NA
+C02863	O-D-Mannosylprotein	C10H16N2O8R2	231.1471	NA	KEGG	NA	NA
+C04301	N(alpha)-t-Butoxycarbonyl-L-leucine	C11H21NO4	231.1471	NA	KEGG	NA	NA
+MJ011531	Bumepidil 	C12H17N5	231.148395	NA	MeJP	NA	NA
+MJ011532	N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine 	C12H17N5	231.148395	NA	MeJP	NA	NA
+HMDB01959	gamma-Aminobutyryl-lysine	C10H21N3O3	231.15829	http://www.hmdb.ca/metabolites/HMDB01959	HMDB	NA	NA
+HMDB01959	gamma-Aminobutyryl-lysine	C10H21N3O3	231.15829	HMDB01959	PFEM_hmdb_metabocards_official	NA	NA
+MJ011533	N?-Valylornithine; L-L-form 	C10H21N3O3	231.158291	NA	MeJP	NA	NA
+HMDB01959	Gamma-Aminobutyryl-lysine	C10H21N3O3	231.158295	NA	HMDB2010	NA	NA
+C11789	Metazocine	C15H21NO	231.1623	NA	KEGG	NA	NA
+MJ011534	2,4,6-Decatrienoic acid dehydropiperidide 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011535	2-Decene-4,6-diynoic acid, 2-Methylpropylamide, N-Me 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011536	2-Undecene-8,10-diynoic acid, 2-Methylpropylamide 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011537	Darlinine 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011538	Deoxynupharidine, 3,4-Didehydro 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011539	Deoxynupharidine, 9,10-Didehydro 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011540	Eptazocine 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011541	Metazocine 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011542	Rotundine B; 13-Ketone 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011543	Tofetridine 	C15H21NO	231.162314	NA	MeJP	NA	NA
+MJ011544	10-Isocyano-4-amorphene; 10?-form 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011545	10-Isocyano-6-guaiene 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011546	11-Formamido-5-eudesmene, Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011547	2-Isocyanopupukeanane 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011548	2-Isothiocyanatotrachyopsane; Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011549	4-Isocyano-9-amorphene; 4?-form 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011550	4-Isothiocyanato-1-cadinene; 4-Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011551	6-Formamido-4(15)-eudesmene, Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011552	6-Isodaucene 14-isonitrile 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011553	7-Isocyano-2,10-bisaboladiene 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011554	9-Isocyanoneopupukeanane 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011555	9-Isocyanopupukeanane 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011556	Acanthellin 1 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011557	Acanthisonitrile 3 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011558	Aromadendrane 1-isonitrile 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011559	Axamide 1; Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011560	Axamide 2, 1-Epimer, isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011561	Axamide 2, Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011562	Axamide 3; Isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011563	Dendrobates Alkaloid 231A 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011564	Dendrobates Alkaloid 231B 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011565	Isocyanoallopupukeanane 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011566	Lycopodine, Deoxo, 4,5-didehydro 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011567	Muscopyridine 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011568	Stylotellin 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011569	Theonelline isocyanide 	C16H25N	231.198699	NA	MeJP	NA	NA
+MJ011570	3-Amino-1,2-propanediol, 1-Decyl ether 	C13H29NO2	231.219829	NA	MeJP	NA	NA
+MJ011571	3-Bromo-4,5-dihydroxybenzoic acid 	C7H5BrO4	231.937121	NA	MeJP	NA	NA
+CJpos0596	Citric acid [M+K]+ (41K)	C6H8O7[41]K	231.980475	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0596	Citric acid [M+K]+ (41K)	C6H8O7[41]K	231.980475	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ011572	5-Bromo-1H-pyrrole-2-carboxylic acid; (Methoxymethyl)amide 	C7H9BrN2O2	231.98474	NA	MeJP	NA	NA
+MJ011573	3-[4-(2-Furanyl)-3-buten-1-ynyl]-1,2-dithiin 	C12H8OS2	232.001656	NA	MeJP	NA	NA
+MJ011574	5'-(1-Propynyl)[2,2'-bithiophene]-5-carboxylic acid; 1''-Aldehyde 	C12H8OS2	232.001656	NA	MeJP	NA	NA
+MJ011575	5-[5-(Ethynyl-2-thienyl)ethynyl]-2,3-dihydrothiophene-3-ol 	C12H8OS2	232.001656	NA	MeJP	NA	NA
+MJ011576	?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol; Ketone 	C12H8OS2	232.001656	NA	MeJP	NA	NA
+MJ011577	2-(3,4-Dihydroxyphenyl)ethenol, 1-O-Sulfate 	C8H8O6S	232.004158	NA	MeJP	NA	NA
+MJ011578	Benzyl 2-hydroxyethyl trisulfide 	C9H12OS3	232.005027	NA	MeJP	NA	NA
+MJ011579	7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide 	C8H9ClN2O2S	232.007325	NA	MeJP	NA	NA
+MJ011580	Chrycolide 	C12H8O3S	232.019414	NA	MeJP	NA	NA
+MJ011581	1,2,3,4-Tetrahydro-7-nitro-2,3-dioxo-6-quinoxalinecarboxylic acid; Nitrile 	C9H4N4O4	232.023254	NA	MeJP	NA	NA
+C13668	6-Cyano-7-nitroquinoxaline-2,3-dione	C9H4N4O4	232.0233	NA	KEGG	NA	NA
+C13669	Transferred to D02131	C9H4N4O4	232.0233	NA	KEGG	NA	NA
+MJ011582	1,1-Pentanediphosphonic acid 	C5H14O6P2	232.026561	NA	MeJP	NA	NA
+MJ011583	5-Chloro-5,6-dihydro-2-(2,4,6-octatriynylidene)-2H-pyran, 3,4-Epoxide 	C13H9ClO2	232.029107	NA	MeJP	NA	NA
+C01068	D-Ribitol 5-phosphate	C5H13O8P	232.0348	NA	KEGG	NA	NA
+C02895	Xylitol 5-phosphate	C5H13O8P	232.0348	NA	KEGG	NA	NA
+C02896	alpha,omega-Diamine	C2H8N2	232.0348	NA	KEGG	NA	NA
+C02897	alpha-D-Arabinoside	C5H9O5R	232.0348	NA	KEGG	NA	NA
+C02898	alpha-Macroglobulin	C5H9O5R	232.0348	NA	KEGG	NA	NA
+C03509	L-Arabinitol 5-phosphate	C5H13O8P	232.0348	NA	KEGG	NA	NA
+MJ011584	D-Ribitol 5-phosphate 	C5H13O8P	232.034803	NA	MeJP	NA	NA
+MetaCyc02150	xylitol 5-phosphate []	C5H13O8P1	232.034804	NA	metacyc	NA	NA
+MetaCyc02151	D-ribitol 5-phosphate []	C5H13O8P1	232.034804	NA	metacyc	NA	NA
+CJneg0436	1,7-dimethyluric acid [(M+Cl)]-	C7H8ClN4O3	232.036825	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0436	1,7-dimethyluric acid [(M+Cl)]-	C7H8ClN4O3	232.036825	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011585	4,8-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 8-Me ether 	C12H8O5	232.037173	NA	MeJP	NA	NA
+MJ011586	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-Me ether 	C12H8O5	232.037173	NA	MeJP	NA	NA
+MJ011587	Norkhellol 	C12H8O5	232.037173	NA	MeJP	NA	NA
+C02951	5-Hydroxyxanthotoxin	C12H8O5	232.0372	NA	KEGG	NA	NA
+MJ011588	5-(1,3-Butadienyl)-5'-methyl-2,2'-bithiophene 	C13H12S2	232.038041	NA	MeJP	NA	NA
+MJ011589	5-(1-Propenyl)-5'-vinyl-2,2'-bithiophene 	C13H12S2	232.038041	NA	MeJP	NA	NA
+MJ011590	4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin 	C10H16S3	232.041412	NA	MeJP	NA	NA
+MJ011591	1-(3,4-Dihydroxyphenyl)-1,2-propanediol; 3-Chloro, 3'-Me ether 	C10H13ClO4	232.050236	NA	MeJP	NA	NA
+MJ011592	Pralidoxime(1+); Methanesulfonate 	C8H12N2O4S	232.051777	NA	MeJP	NA	NA
+MJ011593	5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein 	C13H12O2S	232.0558	NA	MeJP	NA	NA
+MJ011594	Atliprofen 	C13H12O2S	232.0558	NA	MeJP	NA	NA
+MJ011595	2-Oxo-1,3-dioxolane-4,4-diacetic acid; Di-Me ester 	C9H12O7	232.058302	NA	MeJP	NA	NA
+MJ011596	Nifurprazine 	C10H8N4O3	232.05964	NA	MeJP	NA	NA
+7952	synthetic peptide	YYC	232.063	MH2+	Inhouse_peptide	NA	peptide
+7976	synthetic peptide	YCY	232.063	MH2+	Inhouse_peptide	NA	peptide
+7977	synthetic peptide	CYY	232.063	MH2+	Inhouse_peptide	NA	peptide
+MJ011597	Sampangine 	C15H8N2O	232.063662	NA	MeJP	NA	NA
+MJ011598	Kifunensine 	C8H12N2O6	232.069536	NA	MeJP	NA	NA
+MJ011599	1,2,3,4-Naphthalenetetrol; 1,2-Methylene, 3,4-di-Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011600	1,2,3,4-Naphthalenetetrol; 2,3-Methylene, 1,4-di-Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011601	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, Ac, Me ester 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011602	2,5-Diacetyl-6-hydroxybenzofuran; Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011603	2,7,8-Trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 8-Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011604	4,5,6-Trihydroxy-2-naphthalenecarboxaldehyde; 4,5-Di-Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011605	4,5-Dihydroxy-2-naphthalenecarboxylic acid; Di-Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011606	5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011607	5-(3,4-Methylenedioxyphenyl)-2,4-pentadienoic acid, Me ester 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011608	5-Acetyl-6-hydroxy-2-isopropylidene-3(2H)-benzofuranone 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011609	5-Hydroxy-3-(2-hydroxyethyl)-2-methyl-1,4-naphthoquinone 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011610	5-Hydroxy-7-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011611	6,7-Dihydroxy-2,3-dimethyl-1,4-naphthoquinone; Mono-Me ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011612	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2-Methyl-1-propenyl) 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011613	6,7-Dihydroxy-3-propyl-1H-2-benzopyran-1-one; Methylene ether 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011614	6-Acetyl-7-hydroxy-2,3-dimethyl-4H-1-benzopyran-4-one 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011615	6-Ethyl-5-hydroxy-7-methoxy-1,4-naphthoquinone 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011616	7,7a-Dihydro-7-oxobenzo[b]cyclopropa[e]pyran-1a(1H)-carboxylic acid; Et ester 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011617	Ageratone; O-De-Ac 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011618	Aloesol; 2'-Ketone 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011619	Altholactone 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011620	Antibiotic S 12792A 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011621	Barakol 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011622	Cassiachromone 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011623	Coniferaldehyde, 4'-O-(1-Methylene-2-oxoethyl) 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011624	Coniochaetone B 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011625	Coriandrin; 3,4-Dihydro 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011626	Fadyenolide 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011627	Goniobutenolide A 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011628	Granulosin 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011629	Platypterophthalide 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011630	Salfredin B11 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MJ011631	Viscidone, 2'-Aldehyde 	C13H12O4	232.073558	NA	MeJP	NA	NA
+MetaCyc02152	aloesone [2-acetonyl-7-hydroxy-5-methylchromone;]	C13H12O4	232.073559	NA	metacyc	NA	NA
+C09930	Goniothalenol	C13H12O4	232.0736	NA	KEGG	NA	NA
+MJ011632	3,6,9-Decatrien-1-ol, O-Sulfate 	C10H16O4S	232.076929	NA	MeJP	NA	NA
+MJ011633	5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011634	Dazoxiben 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011635	N-(Phenylacetyl)-2-butenediamide 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011636	N-[2-(1H-Indol-3-yl)-2-oxoethyl]acetamide; 1'-Hydroxy 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011637	Nalidixic acid 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011638	Sesbanine 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011639	Vasicinone, 5-Methoxy 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011640	Vasicinone, 7-Methoxy 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+MJ011641	Vasicinone, 5-Methoxy 	C12H12N2O3	232.084792	NA	MeJP	NA	NA
+C05079	Nalidixic acid	C12H12N2O3	232.0848	NA	KEGG	NA	NA
+C07434	Phenobarbital	C12H12N2O3	232.0848	NA	KEGG	NA	NA
+MJ011642	Alonacic 	C9H16N2O3S	232.088163	NA	MeJP	NA	NA
+MJ011643	5-Ethylidene-2-hydroxy-2-hydroxymethyl-3-methylhexanedioic acid 	C10H16O6	232.094688	NA	MeJP	NA	NA
+MJ011644	Hygrophyllinecic acid 	C10H16O6	232.094688	NA	MeJP	NA	NA
+MJ011645	Jaconecic acid 	C10H16O6	232.094688	NA	MeJP	NA	NA
+MJ011646	Rehmaglutin A; 3?-Methoxy 	C10H16O6	232.094688	NA	MeJP	NA	NA
+MJ011647	Riburonic acid; ?-D-Furanose-form, Me glycoside, 2,3-O-isopropylidene, Me ester 	C10H16O6	232.094688	NA	MeJP	NA	NA
+MJ011648	Spirobispinnaketal 	C10H16O6	232.094688	NA	MeJP	NA	NA
+MJ011649	3-Hexyl-4,5-dithiacycloheptanone 	C11H20OS2	232.095556	NA	MeJP	NA	NA
+MJ011650	Molinazone 	C11H12N4O2	232.096025	NA	MeJP	NA	NA
+MJ011651	Panidazole 	C11H12N4O2	232.096025	NA	MeJP	NA	NA
+MJ011652	Todralazine 	C11H12N4O2	232.096025	NA	MeJP	NA	NA
+8053	synthetic peptide	PWY	232.097	MH2+	Inhouse_peptide	NA	peptide
+C09142	Cryptolepine	C16H12N2	232.1	NA	KEGG	NA	NA
+MJ011653	10H-Indolo[3,2-b]quinoline; 5H-form, 5-Me 	C16H12N2	232.100048	NA	MeJP	NA	NA
+MJ011654	Indolo[3,2-c]quinoline; 5H-form, N-Me 	C16H12N2	232.100048	NA	MeJP	NA	NA
+MJ011655	7-Isopropyl-1,4-dimethylazulene; 2-Chloro 	C15H17Cl	232.101878	NA	MeJP	NA	NA
+C01410	Boc-Asn	C9H16N2O5	232.1059	NA	KEGG	NA	NA
+C03415	N2-Succinyl-L-ornithine	C9H16N2O5	232.1059	NA	KEGG	NA	NA
+C04390	N6-Acetyl-LL-2,6-diaminoheptanedioate	C9H16N2O5	232.1059	NA	KEGG	NA	NA
+C04391	O-Phospho-microsomal-membrane protein	C4H7N2O6PR2	232.1059	NA	KEGG	NA	NA
+C15767	gamma-Glutamyl-gamma-aminobutyrate	C9H16N2O5	232.1059	NA	KEGG	NA	NA
+PJ000067	VD 	C9H16N2O5	232.1059	NA	PeJP	NA	NA
+MJ011656	N6-Acetyl-LL-2,6-diaminoheptanedioate 	C9H16N2O5	232.105921	NA	MeJP	NA	NA
+MJ011657	N2-Succinyl-L-ornithine 	C9H16N2O5	232.105921	NA	MeJP	NA	NA
+MJ011658	Ethesdanine 	C9H16N2O5	232.105921	NA	MeJP	NA	NA
+MJ011659	Glutamic acid, N-(4-Aminobutanoyl) 	C9H16N2O5	232.105921	NA	MeJP	NA	NA
+MJ011660	N-(2-Carboxypropyl)glutamine; L-L-form 	C9H16N2O5	232.105921	NA	MeJP	NA	NA
+MJ011661	N-(3-Carboxypropyl)glutamine 	C9H16N2O5	232.105921	NA	MeJP	NA	NA
+MetaCyc02153	N2-succinyl-L-ornithine [N2-succinylornithine;]	C9H16N2O5	232.105922	80102-04-1	metacyc	NA	NA
+MetaCyc02154	N-acetyl-L,L-2,6-diaminopimelate [N6-acetyl-L,L-2,6-diaminopimelate;N-acetyl-L,L-2,6-diaminoheptanedioate;N6-acetyl-L,L-2,6-diaminoheptanedioate;N2-acetyl-L,L-2,6-diaminoheptanedioate;N6-acetyl-L-2,6-diaminoheptanedioate;N-acetyl-L,L-DAP;]	C9H16N2O5	232.105922	NA	metacyc	NA	NA
+HMDB01199	N2-Succinyl-L-ornithine	C9H16N2O5	232.105927	NA	HMDB2010	NA	NA
+HMDB12161	4-(Glutamylamino) butanoate	C9H16N2O5	232.105927	NA	HMDB2010	NA	NA
+HMDB01199	N2-Succinyl-L-ornithine	C9H16N2O5	232.10593	http://www.hmdb.ca/metabolites/HMDB01199	HMDB	NA	NA
+HMDB01199	N2-Succinyl-L-ornithine	C9H16N2O5	232.10593	HMDB01199	PFEM_hmdb_metabocards_official	NA	NA
+C07611	Kavapyrone	C14H16O3	232.1099	NA	KEGG	NA	NA
+C09005	Encecalin	C14H16O3	232.1099	NA	KEGG	NA	NA
+C09503	Mexicanin E	C14H16O3	232.1099	NA	KEGG	NA	NA
+MJ011662	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011663	15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011664	2-Methyl-1,4,5-naphthalenetriol; Tri-Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011665	3,4-Dihydro-3-(1,3-pentadienyl)-1H-2-benzopyran-4,8-diol 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011666	3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; 3,4-Dihydro 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011667	4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011668	5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran; Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011669	6,7-Dihydroxy-4,12-tetradecadiene-8,10-diynal 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011670	6-Acetyl-7-hydroxy-2,2-dimethyl-2H-1-benzopyran; Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011671	6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran; Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011672	6-Hydroxytremetone, Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011673	6-Methyl-1,2,8-naphthalenetriol; Tri-Me ether 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011674	6-Methyl-3-benzofuranmethanol; O-(2-Methylpropanoyl) 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011675	9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol, 8,9-Epoxide 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011676	Boninenal 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011677	Citrusnin A 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011678	Drupanin 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011679	Flourensianol 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011680	Fraxinellone 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011681	Kawain, 7,8-Dihydro 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011682	Lacinilene D 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011683	Mexicanin E 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011684	Prelunularin 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011685	Pterosin M, 4-Carboxylic acid, 8-deoxy 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011686	Pyricuol 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011687	Sorbicillin 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011688	Spiciferinone 	C14H16O3	232.109944	NA	MeJP	NA	NA
+MJ011689	Spiciferone A 	C14H16O3	232.109944	NA	MeJP	NA	NA
+C17232	2-Oxo-10-methylthiodecanoic acid	C11H20O3S	232.1133	NA	KEGG	NA	NA
+8008	synthetic peptide	LWF	232.1155	MH2+	Inhouse_peptide	NA	peptide
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	PFEM_hmdb_metabocards_urine	NA	urine
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	HMDB	NA	NA
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	Inhouse_PFEM	NA	NA
+MJ011690	Acetopine 	C8H16N4O4	232.117155	NA	MeJP	NA	NA
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	PFEM_hmdb_metabocards_blood	NA	blood
+TEST008	N?(carboxymethyl)arginine (CMA)	C8H16N4O4	232.117155	http://www.chemspider.com/Chemical-Structure.11545330.html	PFEM_hmdb_metabocards_official	NA	NA
+MJ011691	3-Dimethylaminoacetyl-5-methoxyindole 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011692	5-Methoxytryptamine; Nb-Ac 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011693	Aminoglutethimide 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011694	Cytisine, N-Ac 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011695	Horsfiline 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011696	Imidazo[1,5-a]pyridine-5-hexanoic acid 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011697	Mofebutazone 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011698	N-Methyltryptophan, Me ester 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011699	Tryptophan, Na,Na-Di-Me 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MJ011700	Melatonin 	C13H16N2O2	232.121177	NA	MeJP	NA	NA
+MetaCyc02155	N-acetyl-5-methoxy-tryptamine [melatonin;]	C13H16N2O2	232.121178	73-31-4	metacyc	NA	NA
+MetaCyc02156	melatonin []	C13H16N2O2	232.121178	NA	metacyc	NA	NA
+HMDB01389	Melatonin	C13H16N2O2	232.121185	NA	HMDB2010	NA	NA
+HMDB01389	Melatonin	C13H16N2O2	232.12119	http://www.hmdb.ca/metabolites/HMDB01389	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01389	Melatonin	C13H16N2O2	232.12119	http://www.hmdb.ca/metabolites/HMDB01389	HMDB	NA	NA
+HMDB01389	Melatonin	C13H16N2O2	232.12119	http://www.hmdb.ca/metabolites/HMDB01389	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01389	Melatonin	C13H16N2O2	232.12119	HMDB01389	PFEM_hmdb_metabocards_official	NA	NA
+C01598	Melatonin	C13H16N2O2	232.1212	NA	KEGG	NA	NA
+C01599	NDP-aldose	C13H16N2O2	232.1212	NA	KEGG	NA	NA
+C01600	NDP-hexose	C11H21O15P2R	232.1212	NA	KEGG	NA	NA
+C07617	Aminoglutethimide	C13H16N2O2	232.1212	NA	KEGG	NA	NA
+MJ011701	3-Chloromethyl-7-methyl-2,7-octadiene-1,6-diol; Di-Me ether 	C12H21ClO2	232.123007	NA	MeJP	NA	NA
+MJ011702	6-Chloromethyl-2-methyl-2,6-octadiene-1,8-diol, Di-Me ether 	C12H21ClO2	232.123007	NA	MeJP	NA	NA
+2811	PEP inhibitor	VHLP	232.131	MH2+	Inhouse_peptide	NA	peptide
+MJ011703	2,6-Dideoxy-3-C-methyl-arabino-hexose, 4-O-(2-Methylpropanoyl) 	C11H20O5	232.131073	NA	MeJP	NA	NA
+MJ011704	Jioglutin E 	C11H20O5	232.131073	NA	MeJP	NA	NA
+MJ011705	[Dihydro-5-(1,3-dihydroxybutyl)-4-hydroxy-2(3H)furanylidene]acetic acid; 2,3-Dihydro, Me ester 	C11H20O5	232.131073	NA	MeJP	NA	NA
+PJ000068	TL 	C10H20N2O4	232.1423	NA	PeJP	NA	NA
+MJ011706	Mebutamate 	C10H20N2O4	232.142307	NA	MeJP	NA	NA
+MJ011707	Spermic acid 	C10H20N2O4	232.142307	NA	MeJP	NA	NA
+C09289	Alantolactone	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09382	Costunolide	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09383	alpha-Cyclocostunolide	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09384	beta-Cyclocostunolide	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09408	Eremofrullanolide	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09454	Frullanolide	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09466	Glechomanolide	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09484	Isoalantolactone	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09692	Isovelleral	C15H20O2	232.1463	NA	KEGG	NA	NA
+C09710	Pinguisone	C15H20O2	232.1463	NA	KEGG	NA	NA
+C17488	Furanogermenone	C15H20O2	232.1463	NA	KEGG	NA	NA
+MJ011708	1(10),11(13)-Eremophiladien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011709	1(10),11(13)-Guaiadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011710	1(10),11-Chiloscyphadiene-2,7-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011711	1(10),11-Guaiadien-14,2-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011712	1(10),3,11(13)-Guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011713	1(10),3-Guaiadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011714	1(10),4,11(13)-Germacratrien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011715	1(10),4,11(13)-Germacratrien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011716	1(10),4,11(13)-Germacratriene-12,14-dial 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011717	1(10),4,11-Germacratrien-15,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011718	1(10),4,7(11)-Germacratrien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011719	1(10),4,7(11)-Germacratrien-12,9-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011720	1(10),4-Guaiadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011721	1(10),5,11-Germacratrien-15,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011722	1(10)-Eremophilen-12,6-olide, 11,13-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011723	1,10-Epoxyfuranoeremophilane 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011724	1,2-Dihydroxy-1,3,5-herbertatrien-12-al, 2-Deoxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011725	1,2-Methylenedioxy-4-(2-octenyl)benzene 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011726	1,3,11(13)-Elematrien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011727	1,3,11(13)-Eudesmatrien-12-oic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011728	1,3,11-Elematrien-15,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011729	1,3,5,7,10-Bisabolapentaen-1-ol, 4-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011730	1,3,7(11)-Elematrien-12,8-olide; 8?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011731	1,3-Eudesmadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011732	1,4(15),11-Elematrien-3,14-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011733	1,4(15)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011734	1,7-Dihydroxy-2,9-illudadien-8-one, 1-Deoxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011735	1-Hydroxy-1,3,5,10-bisabolatetraen-9-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011736	1-Hydroxy-1,4,11-eudesmatrien-3-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011737	10,11-Epidioxycalamene 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011738	10,14-Epoxy-1,4(15),5-germacratrien-9-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011739	10-Pentadecene-6,8-diynoic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011740	11,12-Dehydro-2,3-calamenenediol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011741	11-Eremophilene-2,9-dione, 1,10-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011742	12-Hydroxy-1,3,5,10-bisabolatetraen-15-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011743	2(6)-Africanene-1,5-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011744	2(9),7-Lactaradien-14,5-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011745	2,4(15),11(13)-Eudesmatrien-12-oic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011746	2,4,8,10,12-Tetradecapentaenoic acid, Me ester 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011747	2,5-Cuparadiene-1,4-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011748	2,8-Pentadecadiene-4,6-diyne-1,10-diol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011749	2-(4-Cyclohexylphenyl)propanoic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011750	2-Decene-4,6-diyn-1-ol, 3-Methylbutanoyl 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011751	2-Hydroxy-1,3,5,10-bisabolatetraen-9-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011752	2-Hydroxy-15-nor-1,4,6-eudesmatrien-3-one; Me ether 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011753	2-Hydroxy-4,11(13)-eudesmadien-15-al; 2?-form, 6,7-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011754	2-Methoxy-4-(2-propenyl)phenol; O-(3-Methyl-2-butenyl) 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011755	2-Methoxy-6-(3-methyl-2-butenyl)-4-(2-propenyl)phenol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011756	3,10(14),11(13)-Guaiatrien-12,8-olide, 11?,13-Dihydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011757	3,10(14)-Guaiadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011758	3,11(13)-Eudesmadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011759	3,11(13)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011760	3,11-Eudesmadiene-2,6-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011761	3,4,5,6-Tetrahydro-2,6,9-trimethyl-2,6-methano-2H-1-benzoxocin-3-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011762	3,6-Lactaradien-5,14-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011763	3,8-Calamenenediol, 8-Ketone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011764	3,8:5,14-Diepoxy-5,7(14)-lactaradiene 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011765	3,9-Amorphadien-14,2-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011766	3,9-Calamenenediol, 9-Ketone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011767	3,9-Dihydroxy-?-calacorene 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011768	3-Cucumene-5,8-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011769	3-Hydroxy-1,5-africanadien-4-one; 3?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011770	3-Hydroxy-1,7(11),9-eremophilatrien-8-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011771	3-Hydroxy-2(9),7(14)-illudadien-8-one; 3?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011772	3-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 3-Ketone, 12-aldehyde 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011773	3-Hydroxy-6,8-lactaradien-14,5-olide, 3-Deoxy, 3-epimer 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011774	3-Hydroxy-6,9,11-eremophilatrien-8-one; 3?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011775	4(13),8-Coloratadienolide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011776	4(15),10(14),11(13)-Guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011777	4(15),11(13)-Eudesmadien-12,5-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011778	4(15),11(13)-Eudesmadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011779	4(15),11(13)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011780	4(15),7(11)-Eremophiladien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011781	4(15),7(11)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011782	4(15),7-Eudesmadien-12,8-olide; 11?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011783	4(15),7-Eudesmadien-12,8-olide; 11?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011784	4(15),9-Guaiadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011785	4(6),7-Lactaradien-5,14-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011786	4(6),7-Lactaradiene-5,14-dial 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011787	4,11(13)-Amorphadien-12-oic acid; 6,7-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011788	4,11(13)-Eudesmadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011789	4,11(13)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011790	4,11(13)-Eudesmadiene-12,15-dial 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011791	4,11(13)-Guaiadien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011792	4,11(13)-Guaiadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011793	4,5-Epoxy-7,9-daucadien-14-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011794	4,6-Eudesmadiene-3,8-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011795	4,7(11)-Guaiadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011796	4,8,11-Daucatrien-14-al; 14-Carboxylic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011797	4,9,11(13)-Germacratrien-12,6-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011798	4-(1,2,2-Trimethylcyclopentyl)benzoic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011799	4-Isocedren-14,15-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011800	4-Isocedren-15,14-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011801	4-Isocedrene-14,15-diol; Dialdehyde 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011802	4-Patchoulene-3,6-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011803	5,11(13)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011804	5,14-Epoxy-1,5,7(14)-lactaratrien-8-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011805	5,14-Epoxy-3(15),5,7(14)-lactaratrien-8-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011806	5,14-Epoxy-5,7(14),8-lactaratrien-2-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011807	5,14-Epoxy-5,7(14),8-lactaratrien-3-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011808	5,14-Epoxy-8,9-seco-2(9),5,7(14)-lactaratrien-8-al; 3?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011809	5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol; 1-Oxo, Me ether 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011810	5,6-Epoxy-3,11-eudesmadien-2-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011811	5,7(11)-Eudesmadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011812	5,7(14)-Silphiperfoladien-13-oic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011813	5,7-Dihydroxy[indan-1-spirocyclohexane]; 5-Me ether 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011814	5,7-Dihydroxy[indan-1-spirocyclohexane]; 7-Me ether 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011815	5-Hydroxy-1,4(15),7-eudesmatrien-6-one; 5?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011816	5-Hydroxy-2(9),7-lactaradien-14-al, 5-Aldehyde 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011817	5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, 5-Deoxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011818	6,11-Epoxy-4(15),5,10-pinguisatrien-7-ol; 7?-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011819	6,11-Epoxy-5,10-pinguisadien-12-ol; 12-Aldehyde 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011820	6,11-Epoxy-5,10-pinguisadien-3-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011821	6,15-Epoxyfuranoeremophilane 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011822	6,7-Epoxy-4(15)-hirsuten-5-ol, 5-Ketone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011823	6-Silphiperfolene-3,5-dione 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011824	6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011825	7(11)-Eremophilen-12,8-olide, 9,10-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011826	7-Marasmen-5,14-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011827	7-Marasmene-5,14-dial 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011828	8,12-Epoxy-1(10),4,7,11-germacratetraen-6-one, 4,5-Dihydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011829	8,12-Epoxy-1(10),7,11-germacratrien-5-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011830	8,12-Epoxy-4(15),7,11-eudesmatrien-5-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011831	8-Decene-4,6-diyn-1-ol, 3-Methylbutanoyl 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011832	8-Drimen-12,11-olide; 6,7-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011833	8-Hydroxy-4-amorphen-3-one; 8-Ketone, 7,11-didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011834	8-Hydroxy-9-pentadecene-11,13-diyn-2-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011835	8-Oxo-1(10),4,7(11)-germacratrien-13-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011836	8-Oxo-3-copaen-15-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011837	8-Oxo-7(11),9-eremophiladien-12-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011838	9,11(13)-Eremophiladien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011839	9,11(13)-Ratibidadien-12,8-olide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011840	9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011841	9-Oxo-1(10),11(13)-eremophiladien-12-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011842	9-Oxo-1,3,5-bisabolatrien-15-oic acid, 15-Aldehyde 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011843	9-Oxo-2-modhephen-14-al 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011844	Anhydrotrisporone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011845	Annulide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011846	Arteannuin B; Deepoxy, 4,5-didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011847	Bilobanone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011848	Botrydienal 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011849	Brothenolide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011850	Caespitenone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011851	Collybial 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011852	Cylindrene 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011853	Distachic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011854	Furanoeremophilan-1-one; 10?H-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011855	Furanoeremophilan-1-one; 10àH-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011856	Furanoeremophilan-6-ol, 6-Ketone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011857	Furanoeremophilan-9-one; 10àH-form 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011858	Furanoeudesm-4(15)-en-3-ol 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011859	Furodysinin, 14-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011860	Furodysinin, 8?-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011861	Furodysinin, 8?-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011862	Furopelargone, 1,2-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011863	Furopelargone, 2,3-Didehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011864	Geigeranolide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011865	Gloeophyllol A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011866	Hanegokedial 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011867	Herberteneacetal 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011868	Hercynolactone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011869	Hibiscone A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011870	Hypacrone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011871	Isomyodesmone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011872	Isoplagiochilide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011873	Isoprofen 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011874	Lasiocarpenonol; 2-Deoxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011875	Lasiosperman 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011876	Leucerolide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011877	Manshurolide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011878	Mansonone A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011879	Muzigadial; 9-Deoxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011880	Myodesmone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011881	Myomontanone 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011882	Nakafuran 8; 5?-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011883	Nardonoxide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011884	Neotorreyol; 12-Aldehyde 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011885	Nepalensolide A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011886	Nootkatin 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011887	Penlanpallescensin, 8-Oxo 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011888	Pholiotic acid 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011889	Pinguisanin 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011890	Plagiochilide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011891	Plagiochiline Q 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011892	Primnatrienone; 6-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011893	Pseudotsugonoxide; 3',4',5',6'-Tetradehydro 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011894	Pterosin B, Me ether 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011895	Pterosin Z 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011896	Rarisetenolide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011897	Secoswartzianin A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011898	Spirodilatanolide A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011899	Verboccidentafuran; 1-Hydroxy 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011900	Verboccidentafuran; 4?,5?-Epoxide 	C15H20O2	232.146329	NA	MeJP	NA	NA
+MJ011901	Versicolactone A 	C15H20O2	232.146329	NA	MeJP	NA	NA
+CJpos0597	Butyrylcarnitine [(M+H)]+ (13C)	C1013CH22NO4	232.149875	C18rt(min)=4.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0597	Butyrylcarnitine [(M+H)]+ (13C)	C1013CH22NO4	232.149875	C18rt(min)=4.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ011902	Negamycin, 5-Deoxy 	C9H20N4O3	232.15354	NA	MeJP	NA	NA
+MJ011903	Albine 	C14H20N2O	232.157563	NA	MeJP	NA	NA
+MJ011904	Angustifoline, 8,9-Didehydro 	C14H20N2O	232.157563	NA	MeJP	NA	NA
+MJ011905	Aptocaine 	C14H20N2O	232.157563	NA	MeJP	NA	NA
+MJ011906	Pyrrocaine 	C14H20N2O	232.157563	NA	MeJP	NA	NA
+MJ011907	Tymazoline 	C14H20N2O	232.157563	NA	MeJP	NA	NA
+C10747	Albine	C14H20N2O	232.1576	NA	KEGG	NA	NA
+C16575	(S)-2',6'-Pipecoloxylidide	C14H20N2O	232.1576	NA	KEGG	NA	NA
+MJ011908	Diptocarpaine; N2-Isopropyl, S-deoxo 	C11H24N2OS	232.160934	NA	MeJP	NA	NA
+MJ011909	Tolboxane 	C14H21BO2	232.16346	NA	MeJP	NA	NA
+MJ011910	3,6-Dihydroxy-10-methylundecanoic acid 	C12H24O4	232.167459	NA	MeJP	NA	NA
+MJ011911	4-Decylphenol; 3',4'-Didehydro(E-) 	C16H24O	232.182715	NA	MeJP	NA	NA
+MJ011912	4-Decylphenol; 4',5'-Didehydro(E-) 	C16H24O	232.182715	NA	MeJP	NA	NA
+MJ011913	7,12,14-Hexadecatrien-10-yn-1-ol 	C16H24O	232.182715	NA	MeJP	NA	NA
+MJ011914	7,9,11,13-Hexadecatetraen-1-al 	C16H24O	232.182715	NA	MeJP	NA	NA
+MJ011915	Calamenene, 2-Methoxy 	C16H24O	232.182715	NA	MeJP	NA	NA
+MJ011916	Calamenene, 3-Methoxy 	C16H24O	232.182715	NA	MeJP	NA	NA
+MJ011917	Contrunculin A 	C16H24O	232.182715	NA	MeJP	NA	NA
+C10748	Aloperine	C15H24N2	232.1939	NA	KEGG	NA	NA
+MJ011918	11,12-Dehydrosparteine 	C15H24N2	232.193948	NA	MeJP	NA	NA
+MJ011919	Aloperine 	C15H24N2	232.193948	NA	MeJP	NA	NA
+C17535	Aplotaxene	C17H28	232.2191	NA	KEGG	NA	NA
+MJ011920	1,8,11,14-Heptadecatetraene 	C17H28	232.2191	NA	MeJP	NA	NA
+MJ011921	12,14-Dimethyl-1,3,6,10-farnesatetraene 	C17H28	232.2191	NA	MeJP	NA	NA
+MetaCyc02157	sterone-ring []	C17H28	232.219101	NA	metacyc	NA	NA
+3490	ACE inhibitor from sake lees	FWN	232.59495	MH2+	Inhouse_peptide	NA	peptide
+7671	ACE inhibitor from b-CN (56-59), mouse	QAFT	232.605	MH2+	Inhouse_peptide	NA	peptide
+3278	NA	GHRP	232.616	MH2+	Inhouse_peptide	NA	peptide
+3766	dipeptidyl carboxypeptidase inhibitor	PPRP	232.6285	MH2+	Inhouse_peptide	NA	peptide
+HMDB00138	Glycocholic acid	C26H43NO6	232.654526	MH2+	Inhouse_peptide	NA	peptide
+MJ011922	Bis[hydroxyacetato(2-)-O1,O2]oxovanadate(V)(1-); NH4 salt 	C4H8NO7V	232.97404	NA	MeJP	NA	NA
+MJ011923	Diloxanide 	C9H9Cl2NO2	233.001033	NA	MeJP	NA	NA
+CJneg0437	p-Hydroxyhippuric acid [(M+Cl)]- (37Cl)	C9H9Cl037ClNO4	233.027425	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0438	?-hydroxyhippuric acid [(M+Cl)]- (37Cl)	C9H9Cl037ClNO4	233.027425	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0437	p-Hydroxyhippuric acid [(M+Cl)]- (37Cl)	C9H9Cl037ClNO4	233.027425	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0438	?-hydroxyhippuric acid [(M+Cl)]- (37Cl)	C9H9Cl037ClNO4	233.027425	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ011924	Penicillanic acid; S,S-Dioxide 	C8H11NO5S	233.035793	NA	MeJP	NA	NA
+MetaCyc02158	dopamine 3-O-sulfate [5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate;4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate);]	C8H11N1O5S1	233.035793	NA	metacyc	NA	NA
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.035797	NA	HMDB2010	NA	NA
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.035797	NA	HMDB2010	NA	NA
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB04148	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB06275	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB04148	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB06275	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB04148	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB06275	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB04148	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB06275	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB04148	HMDB	NA	NA
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB06275	HMDB	NA	NA
+C07770	Sulbactam	C8H11NO5S	233.0358	NA	KEGG	NA	NA
+C13690	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	NA	KEGG	NA	NA
+C13691	Dopamine 4-O-sulfate	C8H11NO5S	233.0358	NA	KEGG	NA	NA
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB04148	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	http://www.hmdb.ca/metabolites/HMDB06275	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04148	Dopamine 4-sulfate	C8H11NO5S	233.0358	HMDB04148	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06275	Dopamine 3-O-sulfate	C8H11NO5S	233.0358	HMDB06275	PFEM_hmdb_metabocards_official	NA	NA
+MJ011925	3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid 	C12H11NO2S	233.051049	NA	MeJP	NA	NA
+MJ011926	Acitazanolast 	C9H7N5O3	233.054889	NA	MeJP	NA	NA
+MJ011927	Furalazine 	C9H7N5O3	233.054889	NA	MeJP	NA	NA
+MJ011928	Sepiapterin, 7,8-Didehydro, 2'-ketone 	C9H7N5O3	233.054889	NA	MeJP	NA	NA
+C08062	2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate	C12H11NO4	233.0688	NA	KEGG	NA	NA
+C10654	Casimiroin	C12H11NO4	233.0688	NA	KEGG	NA	NA
+MJ011929	2,3,4,7-Quinolinetetrol; 2,3-Methylene, 4,7-di-Me ether 	C12H11NO4	233.068807	NA	MeJP	NA	NA
+MJ011930	2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid, Et ester 	C12H11NO4	233.068807	NA	MeJP	NA	NA
+MJ011931	Casimiroin 	C12H11NO4	233.068807	NA	MeJP	NA	NA
+MJ011932	Mimosamycin 	C12H11NO4	233.068807	NA	MeJP	NA	NA
+MJ011933	Renierol 	C12H11NO4	233.068807	NA	MeJP	NA	NA
+MJ011934	4-Hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)proline 	C9H15NO4S	233.072178	NA	MeJP	NA	NA
+MJ011935	Marcophan 	C8H16N3OPS	233.075169	NA	MeJP	NA	NA
+MJ011936	Illukumbin, N-Me 	C13H15NOS	233.087434	NA	MeJP	NA	NA
+MJ011937	1-Isothiocyanato-8-(methylthio)octane; S-Oxide(R-) 	C10H19NOS2	233.090805	NA	MeJP	NA	NA
+HMDB01974	Dihydroxycoprostanoic acid	C10H11N5O2	233.09126	http://www.hmdb.ca/metabolites/HMDB01974	HMDB	NA	NA
+HMDB01974	Dihydroxycoprostanoic acid	C10H11N5O2	233.09126	HMDB01974	PFEM_hmdb_metabocards_official	NA	NA
+MJ011938	?-Amino-?-methyl-4-(1H-tetrazol-5-yl)benzeneacetic acid 	C10H11N5O2	233.091274	NA	MeJP	NA	NA
+MJ011939	Lomustine 	C9H16ClN3O2	233.093104	NA	MeJP	NA	NA
+MJ011940	3,2':4',3''-Terpyridine 	C15H11N3	233.095297	NA	MeJP	NA	NA
+PJ000069	SQ 	C8H15N3O5	233.1012	NA	PeJP	NA	NA
+MJ011941	Fludorex 	C11H14F3NO	233.102748	NA	MeJP	NA	NA
+3487	ACE inhibitor from sake lees	VWY	233.105	MH2+	Inhouse_peptide	NA	peptide
+MJ011942	5-Hydroxy-2-methyl-3-indolecarboxylic acid; N-Me, Et ester 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011943	6,8-Dimethoxy-1,3-dimethylisoquinoline; 1''-Hydroxy 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011944	Apiodionene 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011945	Citaldoxime 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011946	Erythrinarbine 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011947	Norsecurinine, 4?-Methoxy 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011948	Phyllantidine 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011949	Rubesamide 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011950	Securinine, 4-Hydroxy 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011951	Suffruticodine 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011952	ar-Trimethoxy-1-methylisoquinoline 	C13H15NO3	233.105193	NA	MeJP	NA	NA
+MJ011953	5,6,7-Isoquinolinetriol; N,O,O,O-Tetra-Me 	C13H16NO3(+)	233.105193	NA	MeJP	NA	NA
+C04337	Ngamma-Nitro-L-arginine methyl ester	C7H15N5O4	233.1124	NA	KEGG	NA	NA
+C04338	Oligosaccharide(terminal -ManGlcNAc)	C7H15N5O4	233.1124	NA	KEGG	NA	NA
+C04339	Peptide N-(ADP-D-ribosyl)diphthamide	C29H44N11O16P2R2	233.1124	NA	KEGG	NA	NA
+C04340	Phospholipid cyclopropane fatty acid	C15H24O8PR3	233.1124	NA	KEGG	NA	NA
+C04341	Ribosomal-protein N-acetyl-L-alanine	C5H9N2O2R	233.1124	NA	KEGG	NA	NA
+C04342	Soluble variant-surface-glycoprotein	C58H99N3O48PR	233.1124	NA	KEGG	NA	NA
+MJ011954	Hopantenic acid 	C10H19NO5	233.126322	NA	MeJP	NA	NA
+HMDB13125	Hydroxypropionylcarnitine	C10H19NO5	233.126328	NA	HMDB2010	NA	NA
+MJ011955	1'-Methylzeatin 	C11H15N5O	233.12766	NA	MeJP	NA	NA
+MJ011956	Ganoderpurine 	C11H15N5O	233.12766	NA	MeJP	NA	NA
+MJ011957	Lysinoalanine 	C9H19N3O4	233.137556	NA	MeJP	NA	NA
+PJ000070	SK 	C9H19N3O4	233.1376	NA	PeJP	NA	NA
+MJ011958	1,2-Epoxy-2-methyl-4-(N-methyltyraminyl)-3-butene 	C14H19NO2	233.141578	NA	MeJP	NA	NA
+MJ011959	2-Methyl-4-(3-indolyl)-1-butanol, N-Methoxy 	C14H19NO2	233.141578	NA	MeJP	NA	NA
+MJ011960	2-Phenyl-2-(2-piperidinyl)acetic acid, Me ester 	C14H19NO2	233.141578	NA	MeJP	NA	NA
+MJ011961	Piperoxan 	C14H19NO2	233.141578	NA	MeJP	NA	NA
+MJ011962	Pleurospermine; Demethoxy, N-Me 	C14H19NO2	233.141578	NA	MeJP	NA	NA
+C07196	Methylphenidate	C14H19NO2	233.1416	NA	KEGG	NA	NA
+C07197	Transferred to D00407	C14H19NO2	233.1416	NA	KEGG	NA	NA
+C17233	Hexahomomethionine	C11H23NO2S	233.145	NA	KEGG	NA	NA
+CJpos0598	Butyrylcarnitine [(M+H)]+ (18O)	C11H22NO318O	233.150775	C18rt(min)=4.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0598	Butyrylcarnitine [(M+H)]+ (18O)	C11H22NO318O	233.150775	C18rt(min)=4.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB11140	Hypusine	C10H23N3O3	233.173935	NA	HMDB2010	NA	NA
+MJ011963	Hypusine 	C10H23N3O3	233.173941	NA	MeJP	NA	NA
+MJ011964	2,4,6-Decatrienoic acid dehydropiperidide, 6,7-Dihydro 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011965	?-Nupharidine 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011966	Deoxynupharidine 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011967	Eremophilene lactam 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011968	Mantella Alkaloid 235C; Ketone 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011969	Meptazinol 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011970	Nupharamine, 3''-Deoxy, 2'',3''-didehydro 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011971	Nupharamine, 3-Epimer, 3''-deoxy, 2'',3''-didehydro 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011972	Rotundine B 	C15H23NO	233.177964	NA	MeJP	NA	NA
+MJ011973	?-Nupharidine 	C15H23NO	233.177964	NA	MeJP	NA	NA
+C09945	Deoxynupharidine	C15H23NO	233.178	NA	KEGG	NA	NA
+MJ011974	1-Ethyl-4-(4-pentynyl)quinolizidine 	C16H27N	233.214349	NA	MeJP	NA	NA
+7771	PKC inhibitor	HKPS	233.618	MH2+	Inhouse_peptide	NA	peptide
+7809	ACE inhibitor from porcine plasma	GVHGV	233.618	MH2+	Inhouse_peptide	NA	peptide
+8065	synthetic peptide	RHR	233.63	MH2+	Inhouse_peptide	NA	peptide
+MJ011975	Silver(I) iodide 	AgI	233.809561	NA	MeJP	NA	NA
+MJ011976	Hexachloroethane 	C2Cl6	233.813116	NA	MeJP	NA	NA
+C14336	1,2-Dibromo-3-chloropropane	C3H5Br2Cl	233.8447	NA	KEGG	NA	NA
+MJ011977	1-Bromo-2-iodoethane 	C2H4BrI	233.854106	NA	MeJP	NA	NA
+MJ011978	Barium sulfate 	BaO4S	233.85697	NA	MeJP	NA	NA
+MJ011979	1,2,3,5,6,8-Hexathionane 	C3H6S6	233.879374	NA	MeJP	NA	NA
+MJ011980	1,2,4,5,7,8-Hexathionane 	C3H6S6	233.879374	NA	MeJP	NA	NA
+MJ011981	Aluminium magnesium silicate (Al2Mg(SiO4)2) 	Al2MgO8Si	233.884362	NA	MeJP	NA	NA
+C13556	Monobasic calcium phosphate	2H2PO4	233.9007	NA	KEGG	NA	NA
+C13557	Transferred to D02051	2H2PO4	233.9007	NA	KEGG	NA	NA
+MJ011982	Mercury(II) sulfide (HgS) 	HgS	233.942696	NA	MeJP	NA	NA
+MetaCyc02159	2-iodophenol methyl ether []	C7H7O1I1	233.954158	NA	metacyc	NA	NA
+C03575	2-Iodophenol methyl ether	C7H7IO	233.9542	NA	KEGG	NA	NA
+MJ011983	6-Bromo-1H-indole-3-acetic acid; Nitrile 	C10H7BrN2	233.97926	NA	MeJP	NA	NA
+MJ011984	Iron(II) lactate 	C6H10FeO6	233.98268	NA	MeJP	NA	NA
+C17382	Ferrous lactate	C6H10FeO6	233.9827	NA	KEGG	NA	NA
+MJ011985	2,3,6-Trihydroxybenzaldehyde; 2-Sulfate 	C7H6O7S	233.983423	NA	MeJP	NA	NA
+C11020	2,4-DP	C9H8Cl2O3	233.9851	NA	KEGG	NA	NA
+MJ011986	4-Chloro-3-sulfobenzoic acid; Diamide 	C7H7ClN2O3S	233.98659	NA	MeJP	NA	NA
+MJ011987	1-Chloro-6-(5-ethynyl-2-thienyl)-3,5-hexadiyn-2-ol 	C12H7ClOS	233.990613	NA	MeJP	NA	NA
+MJ011988	4-(5-Butadiynyl-2-thienyl)-1-chloro-3-butyn-2-ol 	C12H7ClOS	233.990613	NA	MeJP	NA	NA
+MJ011989	Helitenuin 	C12H7ClOS	233.990613	NA	MeJP	NA	NA
+C14514	Chinomethionat	C10H6N2OS2	233.9922	NA	KEGG	NA	NA
+C15250	3-(3,4-Dichlorophenyl)-1-hydroxy-1-methylurea	C8H8Cl2N2O2	233.9963	NA	KEGG	NA	NA
+MJ011990	Bromacrylide 	C7H11BrN2O2	234.00039	NA	MeJP	NA	NA
+MJ011991	2-Amino-6-(trifluoromethoxy)benzothiazole 	C8H5F3N2OS	234.007468	NA	MeJP	NA	NA
+C07937	Riluzole	C8H5F3N2OS	234.0075	NA	KEGG	NA	NA
+C07938	Transferred to D00776	C8H5F3N2OS	234.0075	NA	KEGG	NA	NA
+C15242	8-Chloro-2,7-dibenzofurandiol	C12H7ClO3	234.0084	NA	KEGG	NA	NA
+C04486	5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene	C12H10OS2	234.0173	NA	KEGG	NA	NA
+C04487	5-(D-Galactosyloxy)-L-lysine-procollagen	C13H23N3O8R2	234.0173	NA	KEGG	NA	NA
+MJ011992	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol 	C12H10OS2	234.017306	NA	MeJP	NA	NA
+MJ011993	5'-(1-Propynyl)[2,2'-bithiophene]-5-carboxylic acid; 1''-Alcohol 	C12H10OS2	234.017306	NA	MeJP	NA	NA
+MJ011994	?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol 	C12H10OS2	234.017306	NA	MeJP	NA	NA
+MetaCyc02160	5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene []	C12H10O1S2	234.017306	NA	metacyc	NA	NA
+MJ011995	Ajoene 	C9H14OS3	234.020677	NA	MeJP	NA	NA
+C16757	(Z)-Ajoene	C9H14OS3	234.0207	NA	KEGG	NA	NA
+C16758	(E)-Ajoene	C9H14OS3	234.0207	NA	KEGG	NA	NA
+MJ011996	3-Bromo-2-nonenoic acid 	C9H15BrO2	234.025542	NA	MeJP	NA	NA
+MJ011997	Cyclophostin 	C8H11O6P	234.029324	NA	MeJP	NA	NA
+JH130	Hydroferulic acid [M+K]+	NA	234.0295	12.75	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH130	Hydroferulic acid [M+K]+	NA	234.0295	12.75	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH130	Hydroferulic acid [M+K]+	NA	234.0295	12.75	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH130	Hydroferulic acid [M+K]+	NA	234.0295	12.75	Inhousejuil11	NA	NA
+CJneg0439	1,7-dimethyluric acid [(M+Cl)]- (37Cl)	C7H8Cl037ClN4O3	234.033925	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0439	1,7-dimethyluric acid [(M+Cl)]- (37Cl)	C7H8Cl037ClN4O3	234.033925	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc02161	2'-hydroxybiphenyl-2-sulfinate [HBPSi;2-(2-hydroxyphenyl)benzenesulfinate;]	C12H10O3S1	234.035065	77136-31-3	metacyc	NA	NA
+C06742	2'-Hydroxybiphenyl-2-sulfinate	C12H10O3S	234.0351	NA	KEGG	NA	NA
+C06743	Poly(ADPribose)	C12H10O3S	234.0351	NA	KEGG	NA	NA
+C06744	3-Deoxyoctulosonyl-lipopolysaccharide	C12H10O3S	234.0351	NA	KEGG	NA	NA
+MJ011998	Pterulone 	C13H11ClO2	234.044757	NA	MeJP	NA	NA
+C07731	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate	C12H10O5	234.0528	NA	KEGG	NA	NA
+MJ011999	2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012000	2,3,5-Trihydroxy-7-methyl-1,4-naphthoquinone; 3-Me ether 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012001	2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid, 2,3-Didehydro 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012002	2,5,7-Trihydroxy-1,4-naphthoquinone; 2,7-Di-Me ether 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012003	2-Ethyl-3,5,8-trihydroxy-1,4-naphthoquinone 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012004	3,5,6-Trihydroxy-2-methyl-1,4-naphthoquinone; 5-Me ether 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012005	3-Hydroxy-4-(3,4-methylenedioxybenzyl)-2(5H)-furanone 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012006	4,6,7-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 6,7-Methylene, 4-Me ether 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012007	4-Acetyl-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012008	5,7,8-Trihydroxy-2-methyl-1,4-naphthoquinone; 8-Me ether 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012009	5-(2,5-Dihydroxyphenyl)-3-furancarboxylic acid; Me ester 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012010	6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one; 7,8-Methylene, 6-Me 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012011	6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone; 8-Hydroxy 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012012	6-Formyl-5,7-dimethoxy-2H-1-benzopyran-2-one 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012013	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; Ac 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012014	8-Acetyl-6,7-dihydroxycoumarin; 6-Me ether 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012015	Armillarisin A 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012016	Cirsiumaldehyde 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012017	Mangcoumarin 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012018	Murraxonin 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012019	Murrayacarpin A; 5-Methoxy, 1'-aldehyde 	C12H10O5	234.052823	NA	MeJP	NA	NA
+MJ012020	1-Phenyl-4-methylsulfonyl-3-hexen-1-yne 	C13H14O2S	234.07145	NA	MeJP	NA	NA
+MJ012021	2-(2-Thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene 	C13H14O2S	234.07145	NA	MeJP	NA	NA
+MJ012022	2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene 	C13H14O2S	234.07145	NA	MeJP	NA	NA
+MJ012023	Amplectol 	C13H14O2S	234.07145	NA	MeJP	NA	NA
+MJ012024	Chaetantherol 	C13H14O2S	234.07145	NA	MeJP	NA	NA
+MJ012025	Repthienynol 	C13H14O2S	234.07145	NA	MeJP	NA	NA
+MetaCyc02162	(-)threo-iso(homo)3citrate [(-)threo-1-hydroxy-1,2,6-hexanetricarboxylic acid;(-)threo-1-hydroxy-1,2,6-hexanetricarboxylate;]	C9H14O7	234.073953	NA	metacyc	NA	NA
+MetaCyc02163	(R)-(homo)3citrate [(R)-2-hydroxy-1,2,6-hexanetricarboxylic acid;(R)-2-hydroxy-1,2,6-hexanetricarboxylate;]	C9H14O7	234.073953	NA	metacyc	NA	NA
+C16598	(R)-(Homo)3-citrate	C9H14O7	234.074	NA	KEGG	NA	NA
+C16600	1-Hydroxyhexane-1,2,6-tricarboxylate	C9H14O7	234.074	NA	KEGG	NA	NA
+8330	Stimulating vasoactive substance release	SE	234.074	NA  ;SYN:(-)-Pipecolate; (-)-Pipecolic acid; (S)-(-)-2-Piperidinecarboxylate; (S)-(-)-2-Piperidinecarboxylic acid; (S)-(-)-Pipecolate; (S)-(-)-Pipecolic acid; (S)-2-Piperidinecarboxylate; (S)-2-Piperidinecarboxylic acid; (S)-Pipecolate; (S)-Pipecolic acid; (S)-Pipecolinate; (S)-Pipecolinic acid; (S)-Piperidine-2-carboxylate; (S)-Piperidine-2-carboxylic acid; L-(-)-Pipecolate; L-(-)-Pipecolic acid; L-Homoproline; L-Pipecolate; L-Pipecolic acid; L-Pipecolinate; L-Pipecolinic acid; L-Piperidine-2-carboxylate; L-Piperidine-2-carboxylic acidH2Blood	Inhouse_peptide	NA	peptide
+MJ012026	3-Methyl-2-quinoxalinecarboxylic acid; 1,4-Dioxide, hydrazide 	C10H10N4O3	234.07529	NA	MeJP	NA	NA
+MJ012027	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 3-Me 	C10H10N4O3	234.07529	NA	MeJP	NA	NA
+MJ012028	6-Acetyl-1,3-dimethyl-2,4(1H,3H)-pteridinedione 	C10H10N4O3	234.07529	NA	MeJP	NA	NA
+MJ012029	Indeno[1,2,3-ij][2,7]naphthyridine; 3-Methoxy 	C15H10N2O	234.079312	NA	MeJP	NA	NA
+MJ012030	Norisotuboflavine 	C15H10N2O	234.079312	NA	MeJP	NA	NA
+MJ012031	2-Amino-2-deoxygalacturonic acid, N-Ac, amide 	C8H14N2O6	234.085186	NA	MeJP	NA	NA
+MJ012032	N-?-Glutamylserine; L-L-form 	C8H14N2O6	234.085186	NA	MeJP	NA	NA
+HMDB11169	L-beta-aspartyl-L-threonine	C8H14N2O6	234.08519	NA	HMDB2010	NA	NA
+PJ000071	SE 	C8H14N2O6	234.0852	NA	PeJP	NA	NA
+C10426	1'-Acetoxychavicol acetate	C13H14O4	234.0892	NA	KEGG	NA	NA
+C17917	Coixinden B	C13H14O4	234.0892	NA	KEGG	NA	NA
+MJ012033	1-(4-Hydroxyphenyl)-2-propen-1-ol, Di-Ac 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012034	1-Acetyl-1,3,5-trihydroxy-1H-indene; 3,5-Di-Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012035	13-Hydroxyripariochromene A; Demethoxy 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012036	2,3-Dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylic acid, Me ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012037	2,3-Dihydro-6-(hydroxyacetyl)-2,2-dimethyl-4H-1-benzopyran-4-one 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012038	2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012039	2-Isopropylidene-4,6-dimethoxy-3(2H)-benzofuranone 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012040	2-Undecene-4,6-diyne-1,11-dioic acid, Di-Me ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012041	3,4-Dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxylic acid; Me ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012042	3-(1-Butenyl)-1H-2-benzopyran-1-one, 1',2'-Dihydro, 1',2'-dihydroxy 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012043	3-Ethyl-5,7-dihydroxy-4H-1-benzopyran-4-one; Di-Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012044	4,15-Dinor-1,11(13)-xanthadiene-3,5:12,8-diolide 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012045	4,7-Dihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Di-Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012046	4-(2-Propenyl)-1,2-benzenediol; Di-Ac 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012047	4-Hydroxy-3-(3-methyl-2-butenoyl)benzoic acid; Me ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012048	4-Hydroxy-5-benzofuranpropanoic acid; Et ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012049	5,7-Dihydroxy-1(3H)-isobenzofuranone; 7-(3-Methyl-2-butenyl) ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012050	5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one; 7-Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012051	5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; Di-Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012052	5,7-Dihydroxy-2-isopropyl-4H-1-benzopyran-4-one; 7-Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012053	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012054	5-Acetyl-2,3-dihydro-6,7-dihydroxy-2-isopropenylbenzofuran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012055	5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran; 2''-Hydroxy 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012056	5-Acetyl-6-hydroxy-2-isopropyl-3(2H)-benzofuranone 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012057	5-Hydroxy-6-(hydroxyacetyl)-2,2-dimethyl-2H-1-benzopyran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012058	6-Acetyl-2,3-dihydro-2,2-dimethyl-4H-1-benzopyran-4-one; 1'?-Hydroxy 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012059	6-Acetyl-5-hydroxy-2-hydroxymethyl-2-methylchromene 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012060	6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012061	6-Ethenyl-5,7,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012062	6-Hydroxy-5-benzofuranpropanoic acid; Et ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012063	6-Hydroxytremetone, 3'-Hydroxy 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012064	7-Acetyl-2,3-dihydro-2-isopropenyl-3,6-benzofurandiol 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012065	7-Acetyl-3,4-dihydro-3,6-dihydroxy-8-methyl-1(2H)-naphthalenone 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012066	7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ether 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012067	7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012068	7-Hydroxytoxol 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012069	8-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ester 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012070	Aloesol 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012071	Altholactone; 6,7-Dihydro 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012072	Antibiotic LL-D253? 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012073	Citreopyrones; Citreopyrone E 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012074	Goniodiol 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012075	Goniopypyrone; 5-Deoxy 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012076	Gynunone 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012077	Pyrenochaetic acid A 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012078	Sclerin 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012079	Tetrahydro-6-(4-hydroxyphenyl)-2H-pyran-2-one; Ac 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012080	Viscidone 	C13H14O4	234.089208	NA	MeJP	NA	NA
+MJ012081	4,7-Decadien-1-ol, O-Sulfate 	C10H18O4S	234.092579	NA	MeJP	NA	NA
+HMDB02339	5-Methoxytryptophan	C12H14N2O3	234.10043	http://www.hmdb.ca/metabolites/HMDB02339	HMDB	NA	NA
+HMDB02339	5-Methoxytryptophan	C12H14N2O3	234.10043	HMDB02339	PFEM_hmdb_metabocards_official	NA	NA
+MJ012082	2-(2,3-Dihydro-2-methoxy-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole 	C12H14N2O3	234.100442	NA	MeJP	NA	NA
+MJ012083	2-Amino-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, Me ester 	C12H14N2O3	234.100442	NA	MeJP	NA	NA
+MJ012084	5-(2-Cyclopenten-1-yl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 	C12H14N2O3	234.100442	NA	MeJP	NA	NA
+MJ012085	Deboxamet 	C12H14N2O3	234.100442	NA	MeJP	NA	NA
+MJ012086	Diproqualone 	C12H14N2O3	234.100442	NA	MeJP	NA	NA
+HMDB02339	5-Methoxytryptophan	C12H14N2O3	234.100449	NA	HMDB2010	NA	NA
+PJ000072	CL 	C9H18N2O3S	234.1038	NA	PeJP	NA	NA
+CJneg0440	Azelaic acid [(M-H)+(HCOOH)]-	C10H17O6	234.110925	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0440	Azelaic acid [(M-H)+(HCOOH)]-	C10H17O6	234.110925	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ012087	Cyclo(histidylproline) 	C11H14N4O2	234.111675	NA	MeJP	NA	NA
+MJ012088	Epirizole 	C11H14N4O2	234.111675	NA	MeJP	NA	NA
+MJ012089	2,6-Diamino-5-hydroxy-5-(hydroxymethyl)hexanoic acid; N6-Ac 	C9H18N2O5	234.121571	NA	MeJP	NA	NA
+MJ012090	2,6-Diamino-7-hydroxynonanedioic acid 	C9H18N2O5	234.121571	NA	MeJP	NA	NA
+C12025	2,6-Diamino-7-hydroxy-azelaic acid	C9H18N2O5	234.1216	NA	KEGG	NA	NA
+MJ012091	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone; Me ether 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012092	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 2-Me ether 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012093	1-Hydroxy-13-nor-6,9-eremophiladiene-8,11-dione 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012094	13-Nor-4-oxo-7(11)-pseudoguaien-12,6-olide 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012095	15-Nor-1-oxo-7-drimene-11,12-dial 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012096	15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012097	2-Nor-1-oxo-3,11(13)-elemadien-12,6-olide; 6?-form 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012098	3-(4-Hydroxyphenyl)-2-propenal, 4'-O-(4-Hydroxy-3-methylbutyl) 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012099	4,12-Tetradecadiene-8,10-diyne-1,6,7-triol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012100	4-(1,2-Epoxypropyl)phenol, 3-Methylbutanoyl 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012101	4-Hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)acetophenone, 3'-Me ether 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012102	4-Hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)acetophenone, 4-Me ether 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012103	4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; Et ester 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012104	4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)acetophenone, 4'-Me ether 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012105	5,12-Tetradecadiene-8,10-diyne-1,7,14-triol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012106	5-(1,3-Dihydroxypropyl)-2-isopropenyl-2,3-dihydrobenzofuran 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012107	5-(1-Hydroxyethyl)-6-methoxy-2,2-dimethylchromene 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012108	6,12-Tetradecadiene-8,10-diyne-1,3,14-triol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012109	6,12-Tetradecadiene-8,10-diyne-1,5,14-triol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012110	6,13-Tetradecadiene-8,10-diyne-1,5,12-triol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012111	6-(1,3-Dimethyl-1,3-pentadienyl)-2-methoxy-3-methyl-4H-pyran-4-one 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012112	6-(1,3-Dimethyl-1,3-pentadienyl)-4-methoxy-3-methyl-2H-pyran-2-one 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012113	Alboatrin 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012114	Cyercene 2 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012115	Cyercene 4 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012116	Cyercene B 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012117	Encecalinol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012118	Guayulone 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012119	Isopterosin C 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012120	Neotriptonolide 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012121	Oreadone; 2,3-Didehydro 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012122	Pterosin C 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012123	Pterosin M 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012124	Pterosin N 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012125	Pterosin P 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012126	Sonorol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012127	Sorbicillin; 2',3'-Dihydro 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012128	Stiripentol 	C14H18O3	234.125594	NA	MeJP	NA	NA
+MJ012129	p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 9-(2-Methylpropanoyl) 	C14H18O3	234.125594	NA	MeJP	NA	NA
+C18036	Strigolactone ABC-rings	C14H18O3	234.1256	NA	KEGG	NA	NA
+C11200	Lenacil	C13H18N2O2	234.1368	NA	KEGG	NA	NA
+MJ012130	3-[(Dimethylamino)methyl]-1,5-dimethoxyindole 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012131	3-[(Dimethylamino)methyl]-5,7-dimethoxyindole 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012132	4-Coumaroylputrescine 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012133	Bufotenine; Me ether, Nb-oxide 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012134	Cytisine, N-(2-Hydroxyethyl) 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012135	Fungerin 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012136	Visoltricin 	C13H18N2O2	234.136827	NA	MeJP	NA	NA
+MJ012137	7-Isopropyl-1-methylphenanthrene 	C18H18	234.14085	NA	MeJP	NA	NA
+MetaCyc02164	benzoylagmatine []	C12H18N4O1	234.148061	NA	metacyc	NA	NA
+C02253	Benzoylagmatine	C12H18N4O	234.1481	NA	KEGG	NA	NA
+C02255	CDP-acylglycerol	C13H20N3O14P2R	234.1481	NA	KEGG	NA	NA
+CJpos0599	Butyrylcarnitine [(M+H)]+ (13C+18O)	C1013CH22NO318O	234.154075	C18rt(min)=4.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0599	Butyrylcarnitine [(M+H)]+ (13C+18O)	C1013CH22NO318O	234.154075	C18rt(min)=4.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0600	Valine Betaine [2M+H]+	C10H23O4N2	234.157375	C18rt(min)=1.03 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0600	Valine § Betaine [2M+H]+	C10H23O4N2	234.157375	C18rt(min)=1.03 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ012138	1(10),11(13)-Eremophiladien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012139	1(10),11(13)-Eremophiladien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012140	1(10),11(13)-Guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012141	1(10),11-Guaiadien-14-ol, 14-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012142	1(10),11-Spirovetivadien-2-one; 13-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012143	1(10),11-Spirovetivadien-2-one; 14-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012144	1(10),4,11(13)-Germacratrien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012145	1(10),4-Bicyclogermacradien-13-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012146	1(10),4-Cadinadien-14-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012147	1(10),4-Cadinadien-15-ol; 1?,10?-Epoxide, 15-aldehyde 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012148	1(10),4-Germacradien-12,6-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012149	1(10),6,8-Cadinatriene-2,3-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012150	1(10),7(11)-Eremophiladien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012151	1(10),8-Aristoladien-2-one; 8,9-Dihydro, 9?-hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012152	1(10)-Eremophilen-12,6-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012153	1(10)-Germacrene-5,8-dione, 7,11-Didehydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012154	1(5),7(11)-Xanthadiene-3,8-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012155	1,10-Epoxy-4,7(11)-germacradien-9-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012156	1,10-Epoxy-4-bicyclogermacren-15-al 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012157	1,10-Epoxy-7(11)-eremophilen-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012158	1,10:7,10-Diepoxy-2,11-bisaboladiene 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012159	1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012160	1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012161	1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012162	1,3,5,10-Bisabolatetraene-1,4-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012163	1,3,5,10-Bisabolatetraene-8,9-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012164	1,3,5,11-Bisabolatetraene-1,10-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012165	1,3,5,11-Bisabolatetraene-2,10-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012166	1,3,5,9-Bisabolatetraene-1,11-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012167	1,3,5,9-Bisabolatetraene-2,11-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012168	1,3,5-Herbertatriene-1,13-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012169	1,3,5-Herbertatriene-1,15-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012170	1,3,5-Herbertatriene, 2,3-Dihydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012171	1,3-Elemadien-12,6-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012172	1,4(15)-Eudesmadien-12,8-olide, 1,2-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012173	1,9-Humuladiene-3,8-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012174	1-(4-Hydroxyphenyl)-1-nonanone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012175	1-Hydroxy-1,3,5-bisabolatrien-10-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012176	1-Hydroxy-2(9)-ceratopicen-8-one; 1?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012177	1-Hydroxy-4(15),11-eudesmadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012178	1-Hydroxy-4,11-eudesmadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012179	1-Hydroxy-4,11-guaiadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012180	1-Hydroxy-4,6-eudesmadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012181	1-Hydroxy-5,7(11)-eudesmadien-12-al 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012182	1-Hydroxy-7(11),9-eremophiladien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012183	10,14-Epoxy-1,4(15),5-germacratrien-9-one, 1,2-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012184	10-Hydroxy-3,7(14),11-bisabolatrien-2-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012185	10-Hydroxy-3-longipinen-5-one; 10?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012186	10-Hydroxy-3-longipinen-5-one; 10?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012187	10-Hydroxy-6-isodaucen-14-al; 10-Ketone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012188	11-Eremophilene-2,9-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012189	11-Hydroxy-3,5-eudesmadien-2-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012190	11-Hydroxy-4,6-guaiadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012191	11-Hydroxy-6,9-eremophiladien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012192	12,13-Epoxy-9-trichothecene; 12?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012193	12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12-Deoxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012194	12-Cyclocopacamphanol; 12-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012195	12-Hydroxy-1(10),11(13)-chiloscyphadien-7-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012196	12-Hydroxy-1(10),4,7(11)-germacratrien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012197	12-Hydroxy-1(10),4-bicyclogermacradien-15-al 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012198	13-Hydroxy-2(12),9-trichodien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012199	13-Hydroxy-6-protoilluden-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012200	14-Hydroxy-1,11-eudesmadien-3-one; 4?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012201	15-Hydroxy-2,6,9-humulatrien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012202	15-Hydroxy-3-longipinen-5-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012203	15-Hydroxy-4,10(14)-cadinadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012204	15-Hydroxy-4,11-muuroladien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012205	2,10-Bisaboladiene-1,12-diol; 1-Ketone, 12-aldehyde 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012206	2,10-Bisaboladiene-1,9-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012207	2,11-Dunniadien-15-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012208	2,6,10-Farnesatrien-1,15-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012209	2,6,10-Farnesatriene-1,15-dial 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012210	2,6,9-Humulatrien-14-ol; 14-Aldehyde, 6?,7?-epoxide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012211	2,6,9-Humulatrien-14-ol; 14-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012212	2,6,9-Humulatrien-8-ol, 2?,3?-Epoxide, ketone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012213	2,7(14)-Illudadiene-10,15-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012214	2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, 2-Deoxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012215	2-Hydroxy-4,11(13)-eudesmadien-15-al; 2?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012216	2-Hydroxy-6,11-cadinadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012217	2-Isocomen-13-ol; 13-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012218	2-Isopropyl-4-methylphenol; 3-Methylbutanoyl 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012219	2-Isopropyl-5-methylphenol; 2-Methylbutanoyl 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012220	2-Isopropyl-5-methylphenol; 3-Methylbutanoyl 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012221	2-Pinen-6-ol, Angeloyl 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012222	3(15),6-Caryophylladien-14-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012223	3(15),7-Caryophylladien-6-ol, 6-Ketone, 14-hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012224	3(15)-Gymnomitren-12-ol; 12-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012225	3,11(13)-Eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012226	3,11(13)-Eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012227	3,11(13)-Eudesmadien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012228	3,11(13)-Eudesmadiene-1,12-diol; 1?-form, 12-Aldehyde 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012229	3,11-Eudesmadien-15-al; Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012230	3,12-Epoxycedrane, 12-Oxo 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012231	3,14-Calamenenediol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012232	3,7(14),10-Bisabolatrien-2-one; 10,11-Epoxide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012233	3,7-Bisaboladiene-2,8-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012234	3,8-Calamenenediol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012235	3,9,12-Pentadecatrien-1-yne-6,7-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012236	3-Cucumene-5,8-dione; 5?-Alcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012237	3-Cucumene-5,8-dione; 8?-Alcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012238	3-Hydroxy-1(10),11-spirovetivadien-2-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012239	3-Hydroxy-1,5,7,10-farnesatetraen-9-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012240	3-Hydroxy-2(9)-illuden-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012241	3-Hydroxy-5-africanen-4-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012242	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012243	3-Hydroxy-9,11-eremophiladien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012244	3-Longipinen-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012245	3-Thujopsen-15-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012246	3-Valeren-12,6-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012247	4(15),10(14),11(13)-Guaiatriene-6,12-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012248	4(15),11(13)-Eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012249	4(15),11(13)-Eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012250	4(15),11(13)-Eudesmadien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012251	4(15),11(13)-Eudesmadiene-7,12-diol; 7?-form, 12-Aldehyde 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012252	4(6),7-Lactaradiene-5,14-dial, 14-Alcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012253	4,10(14)-Muuroladien-15-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012254	4,10-Longipinanedione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012255	4,11(13)-Amorphadien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012256	4,11(13)-Eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012257	4,11(13)-Eudesmadien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012258	4,11(13)-Guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012259	4,11(13)-Guaiadien-12-ol, 12-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012260	4,11-Amorphadien-15-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012261	4,11-Cadinadien-15-ol, 15-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012262	4,11-Cadinadien-15-ol; 10?-form, 15-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012263	4,11-Eudesmadien-15-al; Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012264	4,11-Eudesmadien-3-one, 13-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012265	4,5-Corocalanediol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012266	4,5-Epoxy-1(10),7(11)-germacradien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012267	4,6-Decadiyn-1-ol; 3-Methylbutanoyl 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012268	4,6-Dumortadien-3-one, 6?,7?-Epoxide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012269	4,8-Daucadien-14-al; 4?,5?-Epoxide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012270	4,8-Daucadien-14-al; 4?,5?-Epoxide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012271	4,9-Muuroladien-14-al, 14-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012272	4-Acorene-3,8-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012273	4-Cadinen-12,6-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012274	4-Hydroxy-1(10),7(11)-guaiadien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012275	4-Hydroxy-1(5),11-guaiadien-2-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012276	4-Hydroxy-1(6)-lippifolien-5-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012277	4-Hydroxy-2,5-herbertadien-1-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012278	4-Hydroxy-7(11),10(14)-guaiadien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012279	4-Hydroxy-7(11),9-guaiadien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012280	4-Hydroxy-8,11-daucadien-14-al 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012281	4-Isocedren-14,15-olide; 14-Alcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012282	4-Patchoulen-15-ol; 15-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012283	4-Patchoulen-3-one; 8?-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012284	5(10),7(11)-Xanthadiene-4,8-dione; 10?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012285	5,11(13)-Eudesmadien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012286	5,7(14)-Silphiperfoladien-13-oic acid; 7,14-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012287	5,8-Epoxy-7(11),9-guaiadien-8-ol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012288	5-(2-Nonenyl)-1,3-benzenediol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012289	5-Hydroxy-1(10),4(15),7(11)-germacratrien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012290	5-Hydroxy-1-aromadendren-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012291	5-Hydroxy-2(9),7-lactaradien-14-al 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012292	5-Hydroxy-3,11-eudesmadien-2-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012293	5-Zizen-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012294	6(13)-Zizaen-12-oic acid; 2?H-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012295	6(13)-Zizaen-12-oic acid; 2àH-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012296	6,11-Epoxy-5,10-pinguisadien-7-ol; 7?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012297	6,12-Epoxy-1(10),4,11(13)-germacratrien-12-ol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012298	6,7-Epoxy-4(15)-hirsuten-5-ol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012299	6-Hydroxy-1,4-eudesmadien-3-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012300	6-Hydroxy-2,7,10-bisabolatrien-9-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012301	6-Hydroxy-9-isocapnellen-8-one; 6?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012302	6-Oxo-5(10)-pinguisen-11-al 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012303	7(11),9-Xanthadiene-3,8-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012304	7(11),9-Xanthadiene-4,8-dione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012305	7(11)-Eremophilen-12,8-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012306	7,9-Guaiadien-14-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012307	7,9-Illudadiene-3,14-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012308	7-Drimen-11,12-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012309	7-Drimen-12,11-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012310	7-Drimene-11,12-diol, 11,12-Dialdehyde 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012311	7-Hydroxy-3,11-eudesmadien-2-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012312	7?,8?:8?,12-Diepoxy-11(13)-eremophilene 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012313	8(12)-Drimen-15,11-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012314	8,11-Daucadien-14-al; 14-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012315	8-Drimen-12,11-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012316	8-Hydroxy-1,11-eremophiladien-9-one; 8?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012317	8-Hydroxy-3-isohirsuten-5-one; 8?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012318	8-Hydroxy-3-longipinen-5-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012319	8-Hydroxy-4-amorphen-3-one; 8-Ketone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012320	8-Oxo-3-copaen-15-al, 15-Alcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012321	9,11(13)-Eremophiladien-12-oic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012322	9,11-Eremophiladiene-1,3-diol, 1-Ketone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012323	9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-5-ol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012324	9-Aristolen-12-al; 12-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012325	9-Aristolen-8-one; 1?-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012326	9-Eremophilen-12,8-olide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012327	9-Hydroxy-1(6),4-brasiladien-7-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012328	9-Hydroxy-3(15),6-caryophylladien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012329	9-Hydroxy-6-hirsuten-5-one; 9?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012330	9-Hydroxy-7(11),9-eremophiladien-8-one 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012331	9-Pentadecene-12,14-diyne-1,11-diol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012332	?-Bergamotenoic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012333	?-Santala-3(15),10-dien-12-ol, 12-Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012334	Ancistrodial 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012335	Ancistrofuran 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012336	Antibiotic AM 6898B; 4-Deoxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012337	Arteannuin I 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012338	Bilobanone, 1?-Alcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012339	Botrydienal; 2,3-Didehydro, 10,15-bisalcohol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012340	Broderol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012341	Calamenene, 2,5-Dihydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012342	Caulolactone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012343	Crispatanolide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012344	Cuparene, 2,4-Dihydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012345	Cuparene, 2,5-Dihydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012346	Cuprenolide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012347	Curcumanolide A 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012348	Curcumenone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012349	Cyclodehydroisolubimin 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012350	Davana ether 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012351	Eupatorenone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012352	Fukinanolide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012353	Furanoeremophilan-10-ol; 10?-form 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012354	Furanoeremophilan-6-ol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012355	Furopelargone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012356	Geigeranolide; 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012357	Helminthosporal 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012358	Herbadysidolide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012359	Himasecolone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012360	Isodrimenin 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012361	Kanshone A 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012362	Lemnalactone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012363	Lepistirone 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012364	Macrophyllic acid A 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012365	Mandassidione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012366	Marasmene 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012367	Neotorreyol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012368	Nudenoic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012369	Omphalic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012370	Parvinolide 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012371	Perforenone; 3?-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012372	Perforenone; 3?-Hydroxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012373	Prehelminthosporol; Ketone (lactone) 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012374	Punctaporonin G 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012375	Rishitinol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012376	Sclerocarpic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012377	Sesquichamaenol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012378	Shizukafuranol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012379	Spartidienedione 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012380	Spirodilatanolide A; 11?,13-Dihydro 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012381	Striatenic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012382	Sugeonol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012383	Terrecyclol 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012384	Tremulenediol B; 11,12-Dialdehyde 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012385	Tremulenolide A 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012386	Tremulenolide B 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012387	Trisporone; 12-Deoxy 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012388	Valerenic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012389	?-Bergamotenoic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MJ012390	?-Santal-10-en-12-ol, Carboxylic acid 	C15H22O2	234.161979	NA	MeJP	NA	NA
+MetaCyc02165	2-dehydrolubimin []	C15H22O2	234.16198	NA	metacyc	NA	NA
+MetaCyc02166	15-hydroxysolavetivone []	C15H22O2	234.16198	NA	metacyc	NA	NA
+C09350	Bakkenolide A	C15H22O2	234.162	NA	KEGG	NA	NA
+C09376	Confertifolin	C15H22O2	234.162	NA	KEGG	NA	NA
+C09399	Drimenin	C15H22O2	234.162	NA	KEGG	NA	NA
+C09409	Eremophilenolide	C15H22O2	234.162	NA	KEGG	NA	NA
+C09677	Helminthosporal	C15H22O2	234.162	NA	KEGG	NA	NA
+C09686	Hydroxyisopatchoulenone	C15H22O2	234.162	NA	KEGG	NA	NA
+C09712	Polygodial	C15H22O2	234.162	NA	KEGG	NA	NA
+C09721	Sclerosporin	C15H22O2	234.162	NA	KEGG	NA	NA
+C09739	Tetradymol	C15H22O2	234.162	NA	KEGG	NA	NA
+C09743	Valerenic acid	C15H22O2	234.162	NA	KEGG	NA	NA
+C16942	Curcumenol	C15H22O2	234.162	NA	KEGG	NA	NA
+C16949	Dehydrocurdione	C15H22O2	234.162	NA	KEGG	NA	NA
+C17090	alpha-Cyperone	C15H22O2	234.162	NA	KEGG	NA	NA
+C17489	(4S,5S)-(+)-Germacrone 4,5-epoxide	C15H22O2	234.162	NA	KEGG	NA	NA
+C17491	13-Hydroxygermacrone	C15H22O2	234.162	NA	KEGG	NA	NA
+C17492	Curcumenone	C15H22O2	234.162	NA	KEGG	NA	NA
+C17504	Sugeonol	C15H22O2	234.162	NA	KEGG	NA	NA
+C17609	Chrysantherol	C15H22O2	234.162	NA	KEGG	NA	NA
+C07073	Lidocaine	C14H22N2O	234.1732	NA	KEGG	NA	NA
+C10751	Angustifoline	C14H22N2O	234.1732	NA	KEGG	NA	NA
+MJ012391	Angustifoline 	C14H22N2O	234.173213	NA	MeJP	NA	NA
+MJ012392	Camoensidine 	C14H22N2O	234.173213	NA	MeJP	NA	NA
+MJ012393	Lidocaine 	C14H22N2O	234.173213	NA	MeJP	NA	NA
+MJ012394	Octacaine 	C14H22N2O	234.173213	NA	MeJP	NA	NA
+MJ012395	Quatacaine 	C14H22N2O	234.173213	NA	MeJP	NA	NA
+MJ012396	10,12,14-Hexadecatrienal 	C16H26O	234.198365	NA	MeJP	NA	NA
+MJ012397	13,14,15,16-Tetranor-7-labden-12-al; ent-form 	C16H26O	234.198365	NA	MeJP	NA	NA
+MJ012398	2,6-Di-tert-butyl-4-ethylphenol 	C16H26O	234.198365	NA	MeJP	NA	NA
+MJ012399	3-Methyl-5-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-4-penten-2-one 	C16H26O	234.198365	NA	MeJP	NA	NA
+MJ012400	4,6,11-Hexadecatrienal 	C16H26O	234.198365	NA	MeJP	NA	NA
+MJ012401	?-Isosparteine 	C15H26N2	234.209598	NA	MeJP	NA	NA
+MJ012402	Sparteine 	C15H26N2	234.209598	NA	MeJP	NA	NA
+MJ012403	?-Isosparteine 	C15H26N2	234.209598	NA	MeJP	NA	NA
+C10783	(-)-Sparteine	C15H26N2	234.2096	NA	KEGG	NA	NA
+C17418	Genisteine	C15H26N2	234.2096	NA	KEGG	NA	NA
+MJ012404	1,5,8-Heptadecatriene 	C17H30	234.23475	NA	MeJP	NA	NA
+MJ012405	1,6,9-Heptadecatriene 	C17H30	234.23475	NA	MeJP	NA	NA
+MJ012406	3,6,9-Heptadecatriene 	C17H30	234.23475	NA	MeJP	NA	NA
+MJ012407	4,8,11-Heptadecatriene 	C17H30	234.23475	NA	MeJP	NA	NA
+7798	ACE inhibitor	VVRP	234.6445	MH2+	Inhouse_peptide	NA	peptide
+MJ012408	(2,2,2-Trichloro-1-hydroxyethyl)carbamic acid; Et ester 	C5H8Cl3NO3	234.956976	NA	MeJP	NA	NA
+MJ012409	Monalazone 	C7H6ClNO4S	234.970606	NA	MeJP	NA	NA
+MJ012410	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3,5-Dichloro 	C8H7Cl2NO3	234.980298	NA	MeJP	NA	NA
+MJ012411	Taurosteine 	C7H9NO4S2	234.997299	NA	MeJP	NA	NA
+MJ012412	3-Amino-1-hydroxy-1,1-propanediphosphonic acid 	C3H11NO7P2	235.001074	NA	MeJP	NA	NA
+MetaCyc02167	pamidronate [(3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid;Amidronate;Aminomux;]	C3H11N1O7P2	235.001075	NA	metacyc	NA	NA
+C07395	Pamidronate	C3H11NO7P2	235.0011	NA	KEGG	NA	NA
+C07396	Transferred to D00492	C3H11NO7P2	235.0011	NA	KEGG	NA	NA
+MJ012413	2-(2-Hydroxyphenyl)-4-thiazolecarboxylic acid; Me ester 	C11H9NO3S	235.030313	NA	MeJP	NA	NA
+MJ012414	4,8-Dihydroxy-2-quinolinecarbothioic acid; 4-Me ether 	C11H9NO3S	235.030313	NA	MeJP	NA	NA
+MJ012415	?-(4-Hydroxy-3-methoxyphenyl)-2-thiazolemethanol; Ketone 	C11H9NO3S	235.030313	NA	MeJP	NA	NA
+C11468	3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-	C11H9NO5	235.0481	NA	KEGG	NA	NA
+MJ012416	Quazinone 	C11H10ClN3O	235.051239	NA	MeJP	NA	NA
+PJ000073	CN 	C7H13N3O4S	235.0627	NA	PeJP	NA	NA
+MJ012417	2-Ethyl-2-phenyl-1,4-thiazane-3,5-dione 	C12H13NO2S	235.066699	NA	MeJP	NA	NA
+C11255	Carboxin	C12H13NO2S	235.0667	NA	KEGG	NA	NA
+C03408	N-Acetylgalactosaminate	C8H13NO7	235.0692	NA	KEGG	NA	NA
+C03948	N-Glycolyl-D-mannosaminolactone	C8H13NO7	235.0692	NA	KEGG	NA	NA
+C03949	Immunoglobulin G glycopeptide	C8H13NO7	235.0692	NA	KEGG	NA	NA
+MJ012418	2-Amino-2-deoxygalacturonic acid, N-Ac 	C8H13NO7	235.069201	NA	MeJP	NA	NA
+MJ012419	2-Amino-2-deoxymannuronic acid, N-Ac 	C8H13NO7	235.069201	NA	MeJP	NA	NA
+MJ012420	N-Cyano-N'-[2-(nitrooxy)ethyl]-3-pyridinecarboximidamide 	C9H9N5O3	235.070539	NA	MeJP	NA	NA
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR282	Neopterine F3	NA	235.075175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR282	Neopterine F3	NA	235.075175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR282	Neopterine F3	NA	235.075175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR282	Néoptérine F3	F3	235.075175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR282	Neopterine F3	NA	235.075175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR282	Neopterine F3	F3	235.075175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ012421	2,3,4,8-Quinolinetetrol; NH-form, 3,4,8-Tri-Me ether 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+MJ012422	2,3,4,8-Quinolinetetrol; NH-form, N,O3,O8-Tri-Me 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+MJ012423	2,4,6,8-Quinolinetetrol; 4,6,8-Tri-Me ether 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+MJ012424	2,4,7,8-Quinolinetetrol; 4,7,8-Tri-Me ether 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+MJ012425	?-Amino-2-carboxy-3-phenylcyclopropaneacetic acid 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+MJ012426	Cherianoine 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+MJ012427	Thalflavine 	C12H13NO4	235.084457	NA	MeJP	NA	NA
+C13681	p-N,N-(Dimethylamino)phenyldiazonium fluoroborate	C8H10N3	235.0904	NA	KEGG	NA	NA
+HMDB06783	S-Aminomethyldihydrolipoylprotein	C9H19N2OS2	235.09389	http://www.hmdb.ca/metabolites/HMDB06783	HMDB	NA	NA
+HMDB06783	S-Aminomethyldihydrolipoylprotein	C9H19N2OS2	235.09389	HMDB06783	PFEM_hmdb_metabocards_official	NA	NA
+MJ012428	Siderochelin A 	C11H13N3O3	235.095691	NA	MeJP	NA	NA
+MJ012429	4-Hydroxy-2-phenylquinoline; NH-form, N-Me 	C16H13NO	235.099714	NA	MeJP	NA	NA
+MJ012430	4-Hydroxy-2-phenylquinoline; OH-form, Me ether 	C16H13NO	235.099714	NA	MeJP	NA	NA
+MJ012431	5H-Dibenzo[a,d]cycloheptene-5-carboxylic acid; Amide 	C16H13NO	235.099714	NA	MeJP	NA	NA
+MJ012432	Sinharine, N-Me 	C13H17NOS	235.103084	NA	MeJP	NA	NA
+MJ012433	6-Deoxy-5-C-methyl-lyxo-hexose, 4-Me, 3-carbamoyl 	C9H17NO6	235.105587	NA	MeJP	NA	NA
+MJ012434	Zeatin, 2-Hydroxy 	C10H13N5O2	235.106924	NA	MeJP	NA	NA
+MJ012435	Eudistomin H; Debromo 	C15H13N3	235.110947	NA	MeJP	NA	NA
+MJ012436	Picilorex 	C14H18ClN	235.112777	NA	MeJP	NA	NA
+C09573	Lophophorine	C13H17NO3	235.1208	NA	KEGG	NA	NA
+MJ012437	1-(1H-Indol-7-yl)-3-methyl-1,2,3-butanetriol 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012438	3,4-Dihydro-8-hydroxy-6,7-dimethoxy-1-methylisoquinoline; N-Me, inner salt 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012439	3,4-Dihydro-ar-trimethoxy-1-methylisoquinoline 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012440	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(2-Furoyl) 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012441	Allosecurinine, 14,15-Dihydro, 15?-hydroxy 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012442	Anhalonine, N-Me 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012443	Darlingine; N-Oxide 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012444	Dihydroshihunine, 6'-Methoxy 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012445	Norsecurinine, 14,15-Dihydro, 4-methoxy 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012446	Pandamarilactam 3x 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012447	Romifenone 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012448	Ruspolinone, O4'-De-Me 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012449	Securinol A 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012450	Securinol C 	C13H17NO3	235.120843	NA	MeJP	NA	NA
+MJ012451	Azapetine 	C17H17N	235.136099	NA	MeJP	NA	NA
+C05204	(S)-7,8,13,14-Tetrahydroprotoberberine	C17H17N	235.1361	NA	KEGG	NA	NA
+C05205	[Cytochrome c] methionine	C6H10N2O2SR2	235.1361	NA	KEGG	NA	NA
+C05206	Histone L-arginine	C7H13N5O2R2	235.1361	NA	KEGG	NA	NA
+C05207	[Myeline basic protein] L-arginine	C7H13N5O2R2	235.1361	NA	KEGG	NA	NA
+C05208	1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine	C28H50NO7PR	235.1361	NA	KEGG	NA	NA
+C05209	1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine	C5H13NO6PR	235.1361	NA	KEGG	NA	NA
+C05210	1-Alkyl-2-arachidonyl-sn-glycero-3-phosphoethanolamine	C25H43NO7PR	235.1361	NA	KEGG	NA	NA
+C05212	1-Radyl-2-acyl-sn-glycero-3-phosphocholine	C9H19NO7PR2	235.1361	NA	KEGG	NA	NA
+C05217	1-Organyl-2-lyso-sn-glycero-3-phospholipid	C3H7O6PR2	235.1361	NA	KEGG	NA	NA
+C05218	1-Radyl-2-acetyl-sn-glycero-3-phospholipid	C5H9O7PR2	235.1361	NA	KEGG	NA	NA
+C14169	Stovaine	C14H21NO2	235.1572	NA	KEGG	NA	NA
+MJ012452	1-[3-(Aminomethyl)-5-(1,1-dimethylethyl)-2-hydroxyphenyl]-1-propanone 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012453	2-Amino-2-methyl-1-propanol; N-Propyl, O-benzoyl 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012454	4-(Dimethylamino)benzoic acid; 3-Methylbutyl ester 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012455	4-(Dimethylamino)benzoic acid; Pentyl ester 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012456	Amylocaine 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012457	Berefrine 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012458	Pentamoxane 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012459	Sedamine, 4R-Hydroxy 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012460	Sedamine, 3R-Hydroxy 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012461	Sedamine, 5S-Hydroxy 	C14H21NO2	235.157228	NA	MeJP	NA	NA
+MJ012462	1,2,3,4-Tetrahydro-8-hydroxy-6-methoxy-1,2,3-trimethylisoquinoline, N-Me 	C14H22NO2(+)	235.157228	NA	MeJP	NA	NA
+MJ012463	Procainamide 	C13H21N3O	235.168462	NA	MeJP	NA	NA
+C07401	Procainamide	C13H21N3O	235.1685	NA	KEGG	NA	NA
+MJ012464	2,4,6-Decatrienoic acid dehydropiperidide, 2',3',6,7-Tetrahydro 	C15H25NO	235.193614	NA	MeJP	NA	NA
+MJ012465	2,7,9-Undecatrienoic acid, 2-Methylpropylamide 	C15H25NO	235.193614	NA	MeJP	NA	NA
+MJ012466	Histrionicotoxins; Histrionicotoxin 235A 	C15H25NO	235.193614	NA	MeJP	NA	NA
+MJ012467	Mantella Alkaloid 235C 	C15H25NO	235.193614	NA	MeJP	NA	NA
+MJ012468	5-(4-Heptenyl)indolizidine 	C16H29N	235.229999	NA	MeJP	NA	NA
+8113	peptide derived from sardinelle by-products proteins (Sardinella aurita)	LARL	235.653	MH2+	Inhouse_peptide	NA	peptide
+C16249	2-Bromomaleylacetate	C6H5BrO5	235.932	NA	KEGG	NA	NA
+MJ012469	Clomesone 	C4H9ClO5S2	235.957992	NA	MeJP	NA	NA
+CJpos0601	Citric acid [(M-H)+2(Na)]+	C6H7O7Na2	235.990375	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0601	Citric acid [(M-H)+2(Na)]+	C6H7O7Na2	235.990375	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C14268	Fenpiclonil	C11H6Cl2N2	235.9908	NA	KEGG	NA	NA
+C14182	m-Benzenedisulfonamide	C6H8N2O4S2	235.9925	NA	KEGG	NA	NA
+MJ012470	3,5-Dichloro-6-methyl-1,2,4-benzenetriol; 2,4-Di-Me ether 	C9H10Cl2O3	236.000699	NA	MeJP	NA	NA
+MJ012471	Methazolamide 	C5H8N4O3S2	236.003781	NA	MeJP	NA	NA
+MJ012472	Propazolamide 	C5H8N4O3S2	236.003781	NA	MeJP	NA	NA
+C07764	Methazolamide	C5H8N4O3S2	236.0038	NA	KEGG	NA	NA
+MJ012473	Bis(4'-chlorophenyl)methane 	C13H10Cl2	236.015955	NA	MeJP	NA	NA
+C06641	Bis(4'-chlorophenyl)methane	C13H10Cl2	236.016	NA	KEGG	NA	NA
+C14611	1-Chloro-2-(chlorophenylmethyl)benzene	C13H10Cl2	236.016	NA	KEGG	NA	NA
+MJ012474	Carbromal 	C7H13BrN2O2	236.01604	NA	MeJP	NA	NA
+C08051	Sulfacetamide sodium anhydrous	C8H9N2O3S	236.0232	NA	KEGG	NA	NA
+MJ012475	1,4:3,6-Dianhydroglucitol, 2,5-Dinitrate 	C6H8N2O8	236.028065	NA	MeJP	NA	NA
+C07456	Isosorbide dinitrate	C6H8N2O8	236.0281	NA	KEGG	NA	NA
+MJ012476	2,3,5,7-Tetrahydroxy-1,4-naphthoquinone; 3-Me ether 	C11H8O6	236.032087	NA	MeJP	NA	NA
+MJ012477	2,3,5,7-Tetrahydroxy-1,4-naphthoquinone; 7-Me ether 	C11H8O6	236.032087	NA	MeJP	NA	NA
+MJ012478	2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone 	C11H8O6	236.032087	NA	MeJP	NA	NA
+MJ012479	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 5-Me ether 	C11H8O6	236.032087	NA	MeJP	NA	NA
+MJ012480	6,7-Dihydroxy-8-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 	C11H8O6	236.032087	NA	MeJP	NA	NA
+MJ012481	6,8-Dihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 6-Me ether, 1'-carboxylic acid 	C11H8O6	236.032087	NA	MeJP	NA	NA
+C14094	2-Carboxy-2-hydroxy-8-carboxychromene	C11H8O6	236.0321	NA	KEGG	NA	NA
+C14095	2-Hydroxy-3-carboxybenzalpyruvate	C11H8O6	236.0321	NA	KEGG	NA	NA
+MJ012482	Batzelline A; De(methylthio) 	C11H9ClN2O2	236.035255	NA	MeJP	NA	NA
+MJ012483	1-Propenyl 1-(2-propenylthio)propyl disulfide; 7-Oxide 	C9H16OS3	236.036327	NA	MeJP	NA	NA
+MJ012484	2-Propenyl 1-(1-propenylthio)propyl disulfide; 7-Oxide 	C9H16OS3	236.036327	NA	MeJP	NA	NA
+MJ012485	2-Propenyl 1-(2-propenylthio)propyl disulfide; 7-Oxide 	C9H16OS3	236.036327	NA	MeJP	NA	NA
+MJ012486	Orelline; Mono-N-oxide 	C10H8N2O5	236.043321	NA	MeJP	NA	NA
+MJ012487	Brassinin 	C11H12N2S2	236.044189	NA	MeJP	NA	NA
+MJ012488	Rehmaglutin A; 7-Deoxy, 7?-chloro, 3?-hydroxy 	C9H13ClO5	236.045151	NA	MeJP	NA	NA
+MJ012489	2-[(5-Chloro-2-methoxyphenyl)azo]-1H-imidazole 	C10H9ClN4O	236.046488	NA	MeJP	NA	NA
+PJ000074	CD 	C7H12N2O5S	236.0467	NA	PeJP	NA	NA
+MJ012490	?,9-Dioxo-9H-fluorene-2-acetaldehyde 	C15H8O3	236.047344	NA	MeJP	NA	NA
+MJ012491	Anthraquinone-2-carboxaldehyde 	C15H8O3	236.047344	NA	MeJP	NA	NA
+MJ012492	8-Hydroxy-3,5-dimethyl-4-methylthio-2H-1-benzopyran-2-one 	C12H12O3S	236.050714	NA	MeJP	NA	NA
+MJ012493	Pluridone 	C12H12O3S	236.050714	NA	MeJP	NA	NA
+MJ012494	3,6-Dihydro-3,4,5-trihydroxy-6-(1,2,3-trihydroxypropyl)-2H-pyran-2-one 	C8H12O8	236.053217	NA	MeJP	NA	NA
+MJ012495	Phorbic acid 	C8H12O8	236.053217	NA	MeJP	NA	NA
+MJ012496	1-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012497	10-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012498	11-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012499	2-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012500	3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012501	4-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012502	5-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012503	6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one; 3-N-Oxide 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012504	8-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+MJ012505	9-Hydroxycanthin-6-one 	C14H8N2O2	236.058577	NA	MeJP	NA	NA
+C09212	11-Hydroxycanthin-6-one	C14H8N2O2	236.0586	NA	KEGG	NA	NA
+MJ012506	Sorbinil 	C11H9FN2O3	236.05972	NA	MeJP	NA	NA
+MJ012507	Zileuton 	C11H12N2O2S	236.061948	NA	MeJP	NA	NA
+MJ012508	1,2,4,7,8-Naphthalenepentol; 2,7-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012509	1,3-Dihydro-4,6-dihydroxy-7-methyl-3-oxo-5-isobenzofurancarboxaldehyde; Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012510	2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012511	3,4,6-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 3,4-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012512	3,4,7-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 3,4-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012513	3,4,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 3,4-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012514	3,4-Dihydro-6,7,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one, 7,8-Methylene, 6-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012515	3,4-Dihydro-8-hydroxy-3,5-dimethyl-1H-2-benzopyran-1-one, 5-Carboxylic acid, Me ester 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012516	3,7,8-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012517	3-(2,3,4,5-Tetrahydroxyphenyl)-2-propen-1-ol, Aldehyde, 2,3-methylene, 4,5-di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012518	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether, Me ester 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012519	3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012520	4,7,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; 4,8-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012521	5,6,7-Trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 6-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012522	5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 6,7-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012523	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012524	5,7,8-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 7,8-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012525	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012526	5,7-Dihydroxy-2,3-dimethyl-4H-1-benzopyran-4-one; 1''-Hydroxy, 7-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012527	5,7-Dihydroxy-2,3-dimethyl-4H-1-benzopyran-4-one; 1'-Hydroxy, 7-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012528	5-(2,5-Dihydro-4-methyl-2,5-dioxo-3-furanyl)-2-ethyl-2,4-pentadienoic acid 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012529	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; Tri-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012530	6,7,8-Trihydroxy-3-methyl-1H-2-benzopyran-1-one; 6,7-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012531	6,7,8-Trihydroxy-4-methyl-2H-1-benzopyran-2-one; 7,8-Di-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012532	6,8-Dihydroxy-3-(2-hydroxypropyl)-1H-2-benzopyran-1-one 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012533	6-Hydroxy-5-benzofuranpropanoic acid; 7-Methoxy 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012534	Apional 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012535	Austdiol 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012536	Diaporthin, O-De-Me 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012537	Dillapional 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012538	Diomuscipulone 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012539	Murrayacarpin A; 5-Methoxy 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012540	Oospoglycol; 8-Me ether 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012541	Radicinol; 3-Epimer, 4-ketone 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012542	Radicinol; 4-Ketone 	C12H12O5	236.068473	NA	MeJP	NA	NA
+MJ012543	Rhacodione B 	C12H12O5	236.068473	NA	MeJP	NA	NA
+C09313	5,6,7-Trimethoxycoumarin	C12H12O5	236.0685	NA	KEGG	NA	NA
+C09958	Orthosporin	C12H12O5	236.0685	NA	KEGG	NA	NA
+MJ012544	8-Chloro-3,4-dihydrospiro[naphthalene-2(1H),4'(5'H)-oxazol]-2'-amine 	C12H13ClN2O	236.07164	NA	MeJP	NA	NA
+C17218	2-(4'-Methylthio)butylmalic acid	C9H16O5S	236.0718	NA	KEGG	NA	NA
+C17219	3-(4'-Methylthio)butylmalic acid	C9H16O5S	236.0718	NA	KEGG	NA	NA
+MJ012545	3,5-Dialkyl-1,2,4-trithiolanes; 3,5-Bis(2-methylpropyl)-1,2,4-trithiolane 	C10H20S3	236.072712	NA	MeJP	NA	NA
+MJ012546	4-Aminobenzaldehyde; N-Ac, thiosemicarbazone 	C10H12N4OS	236.073181	NA	MeJP	NA	NA
+MJ012547	8-Chloro-6-chloromethyl-2-methyl-1,6-octadien-3-ol, 3-Me ether 	C11H18Cl2O	236.07347	NA	MeJP	NA	NA
+MJ012548	8-Chloro-6-chloromethyl-2-methyl-2,6-octadien-1-ol, Me ether 	C11H18Cl2O	236.07347	NA	MeJP	NA	NA
+C02700	L-Formylkynurenine	C11H12N2O4	236.0797	NA	KEGG	NA	NA
+C02702	L-Prolyl-tRNA(Pro)	C15H24NO11PR2	236.0797	NA	KEGG	NA	NA
+C15605	N-Formyl-D-kynurenine	C11H12N2O4	236.0797	NA	KEGG	NA	NA
+MJ012549	Kynurenine, N2'-Formyl 	C11H12N2O4	236.079706	NA	MeJP	NA	NA
+MJ012550	Formylkynurenine 	C11H12N2O4	236.079706	NA	MeJP	NA	NA
+MetaCyc02168	N-formylkynurenine [N-Formyl-L-kynurenine;]	C11H12N2O4	236.079707	1022-31-7	metacyc	NA	NA
+HMDB01200	N'-Formylkynurenine	C11H12N2O4	236.07971	http://www.hmdb.ca/metabolites/HMDB01200	HMDB	NA	NA
+HMDB01200	N'-Formylkynurenine	C11H12N2O4	236.07971	HMDB01200	PFEM_hmdb_metabocards_official	NA	NA
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	PFEM_hmdb_metabocards_urine	NA	urine
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	HMDB	NA	NA
+HMDB01200	N'-Formylkynurenine	C11H12N2O4	236.079712	NA	HMDB2010	NA	NA
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	Inhouse_PFEM	NA	NA
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	PFEM_hmdb_metabocards_blood	NA	blood
+TEST011	Tryptophan :  N-Formylkynurenine, 	C11H12N2O4	236.079712	http://www.hmdb.ca/metabolites/HMDB01200	PFEM_hmdb_metabocards_official	NA	NA
+MJ012551	Homolanthionine 	C8H16N2O4S	236.083077	NA	MeJP	NA	NA
+PJ000075	SM 	C8H16N2O4S	236.0831	NA	PeJP	NA	NA
+MJ012552	1,2:8,9-Dianhydrononitol 	C9H16O7	236.089602	NA	MeJP	NA	NA
+MJ012553	Caryose 	C9H16O7	236.089602	NA	MeJP	NA	NA
+MJ012554	Galacturonic acid, 2,3,4-Tri-Me 	C9H16O7	236.089602	NA	MeJP	NA	NA
+MJ012555	Methyl ?-D-glucopyranoside; 6-Ac 	C9H16O7	236.089602	NA	MeJP	NA	NA
+C06953	Didanosine	C10H12N4O3	236.0909	NA	KEGG	NA	NA
+MJ012556	6-(1-Hydroxypropyl)lumazine, 1-Me 	C10H12N4O3	236.09094	NA	MeJP	NA	NA
+MJ012557	6-(1-Hydroxypropyl)lumazine, 3-Me 	C10H12N4O3	236.09094	NA	MeJP	NA	NA
+MJ012558	Adrenochrome, 5-Semicarbazone 	C10H12N4O3	236.09094	NA	MeJP	NA	NA
+MJ012559	Didanosine 	C10H12N4O3	236.09094	NA	MeJP	NA	NA
+7551	ACE inhibitor	YQY	236.092	MH2+	Inhouse_peptide	NA	peptide
+7948	synthetic peptide	YYQ	236.092	MH2+	Inhouse_peptide	NA	peptide
+7966	synthetic peptide	QYY	236.092	MH2+	Inhouse_peptide	NA	peptide
+7969	synthetic peptide	YQY	236.092	MH2+	Inhouse_peptide	NA	peptide
+MJ012560	2(1H)-Cycloheptimidazolone; NH-form, N-Benzyl 	C15H12N2O	236.094963	NA	MeJP	NA	NA
+MJ012561	2-Benzyl-4(3H)-quinazolinone 	C15H12N2O	236.094963	NA	MeJP	NA	NA
+MJ012562	5H-Dibenz[b,f]azepine; N-Carbamoyl 	C15H12N2O	236.094963	NA	MeJP	NA	NA
+MJ012563	Nafimidone 	C15H12N2O	236.094963	NA	MeJP	NA	NA
+C06868	Carbamazepine	C15H12N2O	236.095	NA	KEGG	NA	NA
+C10688	Glycosminine	C15H12N2O	236.095	NA	KEGG	NA	NA
+C14904	alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile	C15H12N2O	236.095	NA	KEGG	NA	NA
+C15121	alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile	C15H12N2O	236.095	NA	KEGG	NA	NA
+MJ012564	Pterosin M, 4,8-Dideoxy, 4-chloro 	C14H17ClO	236.096792	NA	MeJP	NA	NA
+HMDB06239	S-aminomethyldihydrolipoamide	C9H20N2OS2	236.1017	NA	HMDB2010	NA	NA
+HMDB06239	S-aminomethyldihydrolipoamide	C9H20N2OS2	236.10172	http://www.hmdb.ca/metabolites/HMDB06239	HMDB	NA	NA
+HMDB06239	S-aminomethyldihydrolipoamide	C9H20N2OS2	236.10172	HMDB06239	PFEM_hmdb_metabocards_official	NA	NA
+MJ012565	1,5,6,7-Tetrahydro-6,7-dihydroxy-7-methyl-3-(1-propenyl)-8H-2-benzopyran-8-one 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012566	1,7,8,8a-Tetrahydro-7,8-dihydroxy-7-methyl-3-(1-propenyl)-6H-2-benzopyran-6-one 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012567	1-(2,3-Dihydro-4,6-dihydroxy-5-benzofuranyl)-1-butanone; 6-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012568	1-(2,4,6-Trihydroxyphenyl)-2-buten-1-one; Tri-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012569	2,3-Dihydro-6,7-dihydroxy-2,2-dimethyl-4H-1-benzopyran-4-one; Di-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012570	2,4,6-Trihydroxy-3-prenylacetophenone 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012571	2-Ethyl-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; Di-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012572	3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid, Me ester 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012573	3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid; 3-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012574	3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid; 4-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012575	4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 3'-Me ether, 1-Ac 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012576	4-Hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)benzoic acid; Me ester 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012577	4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; ?3'-Isomer, 2'-hydroxy, Me ester 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012578	5,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012579	5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, Ac 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012580	5-(3-Methyl-2-butenoyl)-1,2,4-benzenediol; 1,2-Di-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012581	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 1'',2''-Dihydro 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012582	5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran; 2'-Hydroxy, 1'-alcohol 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012583	6,7,8-Trihydroxy-2,2-dimethyl-2H-1-benzopyran; 7,8-Di-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012584	Anodendroic acid, Me ester 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012585	Asparvenone, 6-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012586	Hyperolactone B 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012587	Megapodiol 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012588	Parvulenone; 1'-Me ether 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012589	Pterochromene L4 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012590	Pyrenochaetic acid A; Dihydro 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012591	Waol A 	C13H16O4	236.104859	NA	MeJP	NA	NA
+MJ012592	Wutaialdehyde 	C13H16O4	236.104859	NA	MeJP	NA	NA
+C12457	3-Dimethylallyl-4-hydroxymandelic acid	C13H16O4	236.1049	NA	KEGG	NA	NA
+3176	dipeptidyl-aminopeptidase IV inhibitor	FA	236.105	celiac toxic	Inhouse_peptide	NA	peptide
+7583	ACE inhibitor	AF	236.105	antioxidative	Inhouse_peptide	NA	peptide
+MJ012593	Azarole 	C14H12N4	236.106196	NA	MeJP	NA	NA
+C07261	Simethicone	C8H24O2Si3	236.1084	NA	KEGG	NA	NA
+C07262	Transferred to D00434	C8H24O2Si3	236.1084	NA	KEGG	NA	NA
+MJ012594	Evandamine 	C11H16N4S	236.109567	NA	MeJP	NA	NA
+7651	ACE inhibitor from wakame	YKY	236.11	MH2+	Inhouse_peptide	NA	peptide
+7653	ACE inhibitor from wakame	KYY	236.11	MH2+	Inhouse_peptide	NA	peptide
+7931	synthetic peptide	KYY	236.11	MH2+	Inhouse_peptide	NA	peptide
+7934	synthetic peptide	YKY	236.11	MH2+	Inhouse_peptide	NA	peptide
+7937	synthetic peptide	YYK	236.11	MH2+	Inhouse_peptide	NA	peptide
+3364	ACE inhibitor	HGLF	236.1155	MH2+	Inhouse_peptide	NA	peptide
+5	Sarcoplasmic	GFHI	236.116	MH2+	Inhouse_peptide	NA	peptide
+MJ012595	2,5-Diaminopentanoic acid, N5-Benzoyl 	C12H16N2O3	236.116092	NA	MeJP	NA	NA
+MJ012596	Cyclobarbital 	C12H16N2O3	236.116092	NA	MeJP	NA	NA
+MJ012597	Hexobarbital 	C12H16N2O3	236.116092	NA	MeJP	NA	NA
+MJ012598	Urocanic acid, N1-(1,1-Dimethyl-3-oxobutyl) 	C12H16N2O3	236.116092	NA	MeJP	NA	NA
+C11075	Carbetamide	C12H16N2O3	236.1161	NA	KEGG	NA	NA
+C11723	Hexobarbitone	C12H16N2O3	236.1161	NA	KEGG	NA	NA
+PJ000076	AF 	C12H16N2O3	236.1161	NA	PeJP	NA	NA
+MJ012599	4-[1,1'-Biphenyl-4-yl]-3-penten-2-one 	C17H16O	236.120115	NA	MeJP	NA	NA
+MJ012600	Butyl mannoside; ?-D-Pyranose-form 	C10H20O6	236.125988	NA	MeJP	NA	NA
+MJ012601	Fructose; ?-D-Furanose-form, Butyl glycoside 	C10H20O6	236.125988	NA	MeJP	NA	NA
+MJ012602	Fructose; ?-D-Pyranose-form, Butyl glycoside 	C10H20O6	236.125988	NA	MeJP	NA	NA
+MJ012603	Fructose; ?-D-Furanose-form, Butyl glycoside 	C10H20O6	236.125988	NA	MeJP	NA	NA
+MJ012604	Theophylline; N-(2-Methylpropyl) 	C11H16N4O2	236.127325	NA	MeJP	NA	NA
+MJ012605	Acetophenone azine 	C16H16N2	236.131348	NA	MeJP	NA	NA
+MJ012606	Lysergene 	C16H16N2	236.131348	NA	MeJP	NA	NA
+C14274	4-Heptyloxybenzoic acid	C14H20O3	236.1412	NA	KEGG	NA	NA
+C14718	Heptyl p-hydroxybenzoate	C14H20O3	236.1412	NA	KEGG	NA	NA
+MJ012607	1,11-Dihydroxy-13-nor-6,9-eremophiladien-8-one 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012608	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-(3-Methyl-2-butenyl) 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012609	12-Oxo-11-nor-8-drimen-14-oic acid 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012610	12-Tetradecene-8,10-diyne-1,3,14-triol 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012611	12-Tetradecene-8,10-diyne-1,4,5-triol 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012612	12-Tetradecene-8,10-diyne-1,7,14-triol 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012613	15-Nor-4-oxo-11(13)-eudesmen-12-oic acid 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012614	2-Heptyl-6-methoxy-1,4-benzoquinone 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012615	3-(4-Hydroxyphenyl)-1-propanol; 4'-O-(4-Hydroxy-3-methyl-2-butenyl) 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012616	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(4-Hydroxy-3-methylbutyl) 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012617	3-Hydroxy-13-nor-6-eremophilene-8,11-dione 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012618	3-[(4-Hydroxy-3-methylbutoxy)phenyl]-2-propen-1-ol 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012619	4,9-Dihydroxy-13-nor-7-eudesmen-11-one, 9-Ketone 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012620	6-Tetradecene-8,10-diyne-1,5,12-triol 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012621	9(8?7)-Abeo-8,13-dinor-11-oxo-6-eremophilen-15-oic acid; Me ester 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012622	Appenolide A 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012623	Ceratenolone 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012624	Gyrinidione 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012625	Gyrinidone 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012626	Lemnaliadione 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012627	Montiporic acid A 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012628	Norsecoswartzianin 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012629	Oxyglutinosone 	C14H20O3	236.141244	NA	MeJP	NA	NA
+MJ012630	Sulcatine F 	C14H20O3	236.141244	NA	MeJP	NA	NA
+3622	NA	KTPK	236.1435	MH2+	Inhouse_peptide	NA	peptide
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR486	Prostaglandine A1 F3	NA	236.144025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR486	Prostaglandine A1 F3	NA	236.144025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR486	Prostaglandine A1 F3	NA	236.144025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR486	Prostaglandine A1 F3	NA	236.144025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR486	Prostaglandine A1 F3	F3	236.144025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ012631	Ammodendrine, N-Formyl 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+MJ012632	Butethamine 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+MJ012633	Dropropizine 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+MJ012634	Jussiaeiine A 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+MJ012635	Metabutethamine 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+MJ012636	Procaine 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+MJ012637	Saletamide 	C13H20N2O2	236.152477	NA	MeJP	NA	NA
+C07375	Procaine	C13H20N2O2	236.1525	NA	KEGG	NA	NA
+C07376	Transferred to D00478	C13H20N2O2	236.1525	NA	KEGG	NA	NA
+C07377	Transferred to D00479	C13H20N2O2	236.1525	NA	KEGG	NA	NA
+C17723	Metabutethamine	C13H20N2O2	236.1525	NA	KEGG	NA	NA
+MJ012638	2-(4-Ethylphenyl)-4-phenyl-1-butene 	C18H20	236.1565	NA	MeJP	NA	NA
+MJ012639	4-(4-Ethylphenyl)-2-phenyl-1-butene 	C18H20	236.1565	NA	MeJP	NA	NA
+MJ012640	4-Methyl-2,4-diphenyl-2-pentene 	C18H20	236.1565	NA	MeJP	NA	NA
+MJ012641	2,6,9-Humulatriene; 6,7-Episulfide 	C15H24S	236.159871	NA	MeJP	NA	NA
+MJ012642	2,6,9-Humulatriene; 9,10-Episulfide 	C15H24S	236.159871	NA	MeJP	NA	NA
+MJ012643	Mintsulfide 	C15H24S	236.159871	NA	MeJP	NA	NA
+C02293	Latia luciferin	C15H24O2	236.1776	NA	KEGG	NA	NA
+C09627	Capsidiol	C15H24O2	236.1776	NA	KEGG	NA	NA
+C09678	Helminthosporol	C15H24O2	236.1776	NA	KEGG	NA	NA
+C09681	Hernandulcin	C15H24O2	236.1776	NA	KEGG	NA	NA
+C09700	Lubimin	C15H24O2	236.1776	NA	KEGG	NA	NA
+C09733	Sirenin	C15H24O2	236.1776	NA	KEGG	NA	NA
+C16502	Farnesoic acid	C15H24O2	236.1776	NA	KEGG	NA	NA
+C16946	Cyperolone	C15H24O2	236.1776	NA	KEGG	NA	NA
+C17493	Curdione	C15H24O2	236.1776	NA	KEGG	NA	NA
+C17604	Kikkanol B	C15H24O2	236.1776	NA	KEGG	NA	NA
+HMDB02352	Capsidiol	C15H24O2	236.177628	NA	HMDB2010	NA	NA
+HMDB02352	Capsidiol	C15H24O2	236.17763	http://www.hmdb.ca/metabolites/HMDB02352	HMDB	NA	NA
+MJ012644	1(10),11(13)-Eremophiladiene-7,12-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012645	1(10),4(15)-Lepidozadien-5-ol, 1?,10?-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012646	1(10),4(15)-Lepidozadien-5-ol, 5-Hydroperoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012647	1(10),4-Cadinadiene-3,9-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012648	1(10)-Eremophilene-2,4-diol, 2-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012649	1(10)-Germacrene-5,8-dione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012650	1,10-Seco-1,10-aromadendranedione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012651	1,2-Epoxy-3-thujopsanol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012652	1,2:3,4-Diepoxycuparane 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012653	1,3,11(13)-Elematriene-8,12-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012654	1,3,11-Elematriene-9,14-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012655	1,3,5-Bisabolatriene-1,11-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012656	1,3,5-Bisabolatriene-1,9-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012657	1,4-Epidioxy-2,10-bisaboladiene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012658	1,4-Epidioxy-2-cuparene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012659	1,4-Epidioxy-5-cadinene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012660	1,9-Seco-1,9-presilphiperfolanedione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012661	1-Hydroperoxy-4(15),5,10(14)-germacratriene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012662	1-Hydroxy-2,6,10-farnesatrien-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012663	1-Hydroxy-2-cuparen-4-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012664	1-Hydroxy-3,5,10-farnesatrien-15-al 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012665	1-Hydroxy-3-guaien-6-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012666	1-Hydroxy-4(15)-guaien-6-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012667	1-Hydroxy-4-eudesmen-6-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012668	10(14)-Aromadendrene-3,4-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012669	10(14)-Aromadendrene-4,12-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012670	10(14)-Aromadendrene-4,8-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012671	10(14)-Aromadendrene-4,9-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012672	10-Hydroxy-3-aromadendranone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012673	10-Hydroxy-4-amorphen-3-one; 10?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012674	10-Hydroxy-4-cadinen-3-one; 10?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012675	10-Hydroxy-4-cadinen-3-one; 10?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012676	10-Hydroxy-6-isodaucen-14-al 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012677	10-Sesquigeranic acid 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012678	11(13)-Eudesmene-4,12-diol, 12-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012679	11(13)-Eudesmene-4,12-diol; 4?-form, 12-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012680	11,12-Drimanediol; Dialdehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012681	11,12-Epoxy-10(14)-guaien-4-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012682	11,12-Epoxy-11-drimanol, 11-Ketone (lactone) 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012683	11,12-Epoxy-8(12)-drimen-11-ol; 11?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012684	11-Campherenene-4,10-diol; 10-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012685	11-Eudesmene-1,5-diol, 1-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012686	11-Hydroxy-1(10)-eremophilen-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012687	11-Hydroxy-1(10)-spirovetiven-14-oic acid; Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012688	11-Hydroxy-1(5)-guaien-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012689	11-Hydroxy-1-eudesmen-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012690	11-Hydroxy-2,7-bisaboladien-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012691	11-Hydroxy-3-eudesmen-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012692	11-Hydroxy-4-amorphen-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012693	11-Hydroxy-4-guaien-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012694	11-Hydroxy-6-eremophilen-8-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012695	11-Hydroxy-8-daucen-14-al 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012696	12,11-Drimanolide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012697	12-Hydroxy-11(13)-eudesmen-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012698	14(10?1)-Abeo-1,10-seco-11-eudesmene-1,10-dione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012699	14(10?1)-Abeo-10-hydroxy-11-eudesmen-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012700	14(7?8)-Abeo-6-hydroxy-7,9-seco-8-lippiafolien-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012701	14-Hydroxy-11-spirovetiven-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012702	14-Hydroxy-3(15)-caryophyllen-8-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012703	15-Hydroxy-2,10-bisaboladien-1-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012704	15-Hydroxydihydro-?-agarofuran; 4?-form, 3,4-Didehydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012705	2,10-Bisaboladiene-1,12-diol; 1-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012706	2,10-Bisaboladiene-1,12-diol; 12-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012707	2,10-Bisaboladiene-1,6-diol; 1-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012708	2,10-Bisaboladiene-7,15-diol, 15-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012709	2,3-Epoxy-10-bisabolen-1-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012710	2,3-Seco-2,3-africananedione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012711	2,3:6,7-Diepoxy-9-humulene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012712	2,4,5-Tetradecatrienoic acid, Me ester 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012713	2,5-Epoxy-1(6)-brasilen-9-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012714	2,6,10-Farnesatrien-1-oic acid 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012715	2,6,9-Humulatrien-14-ol; 6?,7?-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012716	2,6,9-Humulatrien-8-ol, Hydroperoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012717	2,6-Bicyclohumulanedione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012718	2,6-Di-tert-butyl-4-methoxyphenol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012719	2-Allohimachalene-4,6-diol, 4-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012720	2-Allohimachalene-4,6-diol, 6-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012721	2-Butyl-5-pentyl-1,3-benzenediol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012722	2-Hexyl-5-propyl-1,3-benzenediol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012723	2-Hydroxy-11-eremophilen-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012724	2-Hydroxy-11-spirovetiven-14-al 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012725	2-Hydroxy-3(15)-bicyclohumulen-6-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012726	2-Pinen-10-ol, 3-Methylbutanoyl 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012727	2-Pinen-6-ol, 3-Methylbutanoyl 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012728	2-Sterpurene-10,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012729	2-Sterpurene-4,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012730	2-Sterpurene-5,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012731	2-Sterpurene-6,10-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012732	2-Sterpurene-8,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012733	3(15),6-Caryophylladien-14-oic acid, 6,7-Dihydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012734	3(15),6-Caryophylladien-14-oic acid, 6?,7?-Epoxide, 14-alcohol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012735	3(15),6-Caryophylladiene-5,8-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012736	3(15),7(14),9-Humulatriene-2,6-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012737	3(15),7-Caryophylladien-6-ol, 7?,8?-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012738	3(15)-Gymnomitrene-1,10-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012739	3,10(14),11-Germacratriene-1,9-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012740	3,10-Epoxy-4-cadinene, 1-Hydroxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012741	3,11(13)-Eudesmadiene-1,12-diol; 1?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012742	3,11(13)-Eudesmadiene-12,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012743	3,11-Eudesmadiene-1,14-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012744	3,5-Eudesmadiene-1,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012745	3,6-Caryolanediol, 6-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012746	3,6-Epidioxy-1,10-bisaboladiene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012747	3,6-Epidioxy-1-cuparene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012748	3,6-Epoxy-1-allohimachalen-6-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012749	3,7(14),10-Bisabolatrien-2-one; 10,11-Dihydro, 11-hydroxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012750	3,7-Dimethyl-2,4,6-octatrien-1-ol, 3-Methylbutanoyl 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012751	3,7-Epoxy-1,10-farnesadien-6-ol; 6?-form, 6-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012752	3,8-Acoranedione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012753	3-(3-Hydroxy-3-methyl-4-pentenyl)-2,2,4-trimethyl-3-cyclohexen-1-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012754	3-Eudesmene-11,15-diol; 15-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012755	3-Hydroxy-1,10-bisaboladien-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012756	3-Hydroxy-1,6,10-farnesatrien-12-al 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012757	3-Hydroxy-1,6,10-farnesatrien-8-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012758	3-Hydroxy-1,6,10-phytatrien-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012759	3-Hydroxy-11-eremophilen-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012760	3-Hydroxy-4-gymnomitranone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012761	3-Hydroxy-6-isocaryolanone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012762	3-Hydroxy-9-cedranone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012763	3-Longipinene-12,13-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012764	3-Longipinene-12,15-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012765	4(15),11(13)-Eudesmadien-12-oic acid; 11?,13-Dihydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012766	4(15),11(13)-Eudesmadiene-1,12-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012767	4(15),11(13)-Eudesmadiene-3,12-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012768	4(15),11(13)-Eudesmadiene-7,12-diol; 7?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012769	4(15),11-Eudesmadiene-1,14-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012770	4(15)-Eudesmene-3,11-diol; 3?-form, 3-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012771	4(6),7-Lactaradiene-5,14-dial, Dialcohol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012772	4,10(14)-Cadinadien-2-ol, 10?,14-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012773	4,10(14)-Cadinadien-2-ol, 4?,5?-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012774	4,10(14)-Cadinadiene-2,9-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012775	4,10-Pinguisadiene-2,7-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012776	4,11(13)-Amorphadien-12-oic acid; 11R,13-Dihydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012777	4,14-Epoxy-11-eudesmen-1-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012778	4,5-Seco-11-eudesmene-4,5-dione; 10?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012779	4,5-Seco-11-eudesmene-4,5-dione; 10?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012780	4,6-Eudesmadiene-3,8-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012781	4,7,10-Tridecatrien-1-ol, Ac 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012782	4,7-Epoxy-1-himachalen-3-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012783	4-Amorphene-11,15-diol; 15-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012784	4-Cadinene-3,10-diol, 3-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012785	4-Eudesmen-6-one; 7?-Hydroxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012786	4-Eudesmene-3,11-diol; 3?-form, 3-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012787	4-Hydroxy-10(14)-oplopen-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012788	4-Hydroxy-2,10-bisaboladien-1-one; 4?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012789	4-Muurolene-3,10-diol, 3-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012790	4-Muurolene-7,15-diol, 15-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012791	5,10(14)-Guaiadiene-2,4-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012792	5,11-Epoxy-15-guaianol, Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012793	5,6:7,8-Diepoxyeudesmane 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012794	5,8-Epidioxy-6-eudesmene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012795	5,8-Epoxy-9-guaien-8-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012796	5,9-Epoxy-1,6,10-farnesatrien-3-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012797	5-(2,4-Dimethylheptyl)-3-methyl-2H-pyran-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012798	5-Hydroxy-6-eudesmen-8-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012799	5-Hydroxy-p-menth-1-en-6-one, Angeloyl 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012800	5-Methyl-2-methylene-3-vinyl-4-hexen-1-ol, 2-Methylbutanoyl 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012801	6,10-Epidioxy-8-guaien-7-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012802	6,7-Epoxy-10(14)-guaien-4-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012803	6,7-Epoxy-3(15)-caryophyllen-12-ol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012804	6-Hydroxy-2-lippifolianone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012805	6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 7?,14-Dihydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012806	7(11)-Copaene-4,12-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012807	7(14),11-Isodaucadiene-2,8-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012808	7,10-Epoxy-2-guaianol, 2-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012809	7,12-Cyclo-6,11-epoxy-4-dumortanol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012810	7-Drimen-11,12-olide; 11?-Alcohol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012811	7-Drimen-11,12-olide; 11?-Alcohol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012812	7-Hydroxy-1,3-elemadien-6-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012813	7-Hydroxy-2,10-bisaboladien-1-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012814	7-Hydroxy-2,10-bisaboladien-15-oic acid, 15-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012815	7-Hydroxy-2,10-bisaboladien-9-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012816	7-Hydroxy-3,10-bisaboladien-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012817	7-Hydroxy-4-amorphen-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012818	7-Marasmene-5,14-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012819	8(12)-Drimen-11-ol, 11-Carboxylic acid 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012820	8-Acetyloctahydro-3a,7,7-trimethyl-2(1H)-azulenone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012821	8-Hydroxy-1,11-eremophiladien-9-one; 8?-form, 1,2-Dihydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012822	8-Hydroxy-10(14)-oplopen-4-one; 8?-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012823	8-Hydroxy-11-eremophilen-2-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012824	8-Hydroxy-4-acoren-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012825	8-Hydroxy-4-amorphen-3-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012826	9(12)-Capnellene-8,10-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012827	9,11-Eremophiladiene-1,3-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012828	9,11-Guaiadiene-3,4-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012829	9-Humulene-2,6-dione 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012830	9-Hydroxy-10(14)-oplopen-4-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012831	9-Hydroxy-11-eudesmen-1-one 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012832	9-Oxo-2-bisabolen-15-oic acid, 15-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012833	?-Santala-3(15),10-dien-12-ol, 13-Hydroxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012834	Acoradiepoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012835	Ageraborniol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012836	Alpiniol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012837	Anthoplalone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012838	Apotrichothecene 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012839	Artemone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012840	Calamensesquiterpinenol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012841	Chiloscypholone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012842	Chokol C; 11-Aldehyde 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012843	Curcumalactone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012844	Curcumenone; 4S-Alcohol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012845	Curcumol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012846	Cyclodebneyol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012847	Cyperolone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012848	Davanone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012849	Euphoranin E 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012850	Ferujaesenol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012851	Helminthosporal; 14-Alcohol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012852	Heterocurvistone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012853	Hydroxydavanone; 11-Deoxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012854	Isotrichodiol; 2-Deoxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012855	Jasionone; 11-Hydroxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012856	Jasonol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012857	Jinkohol II; 1'-Carboxylic acid 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012858	Latia Luciferin 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012859	Laurenone A 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012860	Lavandulol, O-(3-Methyl-2-butenoyl) 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012861	Lemnacarnol; 2-Deoxy 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012862	Occidenol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012863	Oumarone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012864	Prehelminthosporol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012865	Pseudotsugonoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012866	Raikovenal 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012867	Sativenediol; (-)-cis-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012868	Sativenediol; (-)-trans-form 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012869	Secobotrytriendiol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012870	Senecrassidiol; 6-Deoxy, 5-oxo 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012871	Sirenin 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012872	Spironippol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012873	Tanavulgarol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012874	Trifarienol A; 14-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012875	Valerianoid B; 8-Ketone 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012876	?-Agarofuran; 3?,4?-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012877	?-Agarofuran; 3?,4?-Epoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012878	?-Santal-10-en-12-ol, Carboxylic acid, 11,12-dihydro 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012879	?-Santal-10-ene-12,13-diol 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012880	?-Santal-11-en-10-ol; 10-Hydroperoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012881	?-Santal-11-en-10-ol; Diastereoisomer, 10-hydroperoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MJ012882	?-Santal-9-en-11-ol, 11-Hydroperoxide 	C15H24O2	236.17763	NA	MeJP	NA	NA
+MetaCyc02169	latia-luciferin []	C15H24O2	236.17763	21730-91-6	metacyc	NA	NA
+MetaCyc02170	lubimin []	C15H24O2	236.17763	NA	metacyc	NA	NA
+MetaCyc02171	capsidiol []	C15H24O2	236.17763	NA	metacyc	NA	NA
+MetaCyc02172	dihydroartemisinate [dihydroartemisinic acid;dihydroarteannuic acid;]	C15H24O2	236.17763	NA	metacyc	NA	NA
+HMDB02352	Capsidiol	C15H24O2	236.17763	HMDB02352	PFEM_hmdb_metabocards_official	NA	NA
+MJ012883	Dendrobates Alkaloid 252; Deoxy 	C14H24N2O	236.188863	NA	MeJP	NA	NA
+MJ012884	10,12-Hexadecadienal 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012885	10,13-Hexadecadienal 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012886	11,13-Hexadecadienal 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012887	11-Eudesmen-4-ol, Me ether 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012888	11-Guaien-10-ol, Me ether 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012889	13,14,15,16-Tetranor-5-halimen-17-ol 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012890	2,6-Di-tert-butyl-4,4-dimethyl-2,5-cyclohexadien-1-ol 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012891	3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012892	4,6,10-Hexadecatrien-1-ol 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012893	4-Cadinen-10-ol; 10?-form, Me ether 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012894	6,11-Hexadecadienal 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012895	7,11-Hexadecadienal 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012896	7-Isopropyl-2,10-dimethyl-8,10-undecadien-4-one 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012897	8,12-Epoxy-13,14,15,16-tetranorlabdane; 8?-form 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012898	9,11-Hexadecadienal 	C16H28O	236.214015	NA	MeJP	NA	NA
+MJ012899	1,8-Heptadecadiene 	C17H32	236.250401	NA	MeJP	NA	NA
+MJ012900	4,8-Heptadecadiene 	C17H32	236.250401	NA	MeJP	NA	NA
+MJ012901	6,9-Heptadecadiene 	C17H32	236.250401	NA	MeJP	NA	NA
+7927	synthetic peptide	EYY	236.584	MH2+	Inhouse_peptide	NA	peptide
+7928	synthetic peptide	YEY	236.584	MH2+	Inhouse_peptide	NA	peptide
+7929	synthetic peptide	YYE	236.584	MH2+	Inhouse_peptide	NA	peptide
+7811	ACE inhibitor from tuna	VWIG	236.626	MH2+	Inhouse_peptide	NA	peptide
+7414	ACE inhibitor	LRW	236.632	MH2+	Inhouse_peptide	NA	peptide
+8016	synthetic peptide	LWR	236.632	MH2+	Inhouse_peptide	NA	peptide
+8075	synthetic peptide	RWI	236.632	MH2+	Inhouse_peptide	NA	peptide
+8076	synthetic peptide	RWL	236.632	MH2+	Inhouse_peptide	NA	peptide
+8213	Antioxidative peptide	IRW	236.632	MH2+	Inhouse_peptide	NA	peptide
+3753	NA	KKKA	236.6595	MH2+	Inhouse_peptide	NA	peptide
+MJ012902	7-Bromo-8-hydroxy-5-methylquinoline 	C10H8BrNO	236.978926	NA	MeJP	NA	NA
+MJ012903	Drazoxolon 	C10H8ClN3O2	237.030504	NA	MeJP	NA	NA
+MJ012904	S-Cysteinosuccinic acid 	C7H11NO6S	237.030707	NA	MeJP	NA	NA
+MJ012905	Cloguanamil 	C9H8ClN5O	237.041737	NA	MeJP	NA	NA
+MJ012906	4,5-Dihydro-2-(2-hydroxyphenyl)-4-methyl-4-thiazolecarboxylic acid 	C11H11NO3S	237.045963	NA	MeJP	NA	NA
+MJ012907	Nesosteine 	C11H11NO3S	237.045963	NA	MeJP	NA	NA
+MJ012908	?-(4-Hydroxy-3-methoxyphenyl)-2-thiazolemethanol 	C11H11NO3S	237.045963	NA	MeJP	NA	NA
+C11080	Cartap	C7H15N3O2S2	237.0606	NA	KEGG	NA	NA
+MJ012909	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid, Me ester 	C11H11NO5	237.063722	NA	MeJP	NA	NA
+MJ012910	2-Aminobenzoic acid; N-Succinoyl 	C11H11NO5	237.063722	NA	MeJP	NA	NA
+MJ012911	Aspartic acid, N-Benzoyl 	C11H11NO5	237.063722	NA	MeJP	NA	NA
+MJ012912	Dioxolide A; 3a,4-Didehydro, O-Ac 	C11H11NO5	237.063722	NA	MeJP	NA	NA
+MJ012913	2-Amino-4-mercaptobutanoic acid, S-(3-Carboxy-3-hydroxypropyl) 	C8H15NO5S	237.067093	NA	MeJP	NA	NA
+MJ012914	1,11b-Dihydro[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one 	C15H11NO2	237.078978	NA	MeJP	NA	NA
+MJ012915	2,3-Dihydroxy-4-phenylquinoline 	C15H11NO2	237.078978	NA	MeJP	NA	NA
+MJ012916	2-Hydroxy-2-phenylacetonitrile, Benzoyl 	C15H11NO2	237.078978	NA	MeJP	NA	NA
+MJ012917	8,9-Methylenedioxyphenanthridine; N-Me 	C15H12NO2(+)	237.078978	NA	MeJP	NA	NA
+C14263	N-Benzylphthalimide	C15H11NO2	237.079	NA	KEGG	NA	NA
+C14903	2,3-Bis(p-hydroxyphenyl)acrylonitrile	C15H11NO2	237.079	NA	KEGG	NA	NA
+MJ012918	Ambazone 	C8H11N7S	237.079664	NA	MeJP	NA	NA
+MetaCyc02173	N-Acetyl-D-glucosaminate []	C8H15N1O7	237.084852	NA	metacyc	NA	NA
+C01133	N-Acetyl-D-glucosaminate	C8H15NO7	237.0849	NA	KEGG	NA	NA
+C03146	N-Glycolyl-D-glucosamine	C8H15NO7	237.0849	NA	KEGG	NA	NA
+C03521	N-Glycolyl-D-mannosamine	C8H15NO7	237.0849	NA	KEGG	NA	NA
+CJpos0602	Biopterin isomer [(M+H)]+	C9H12N5O3	237.085675	C18rt(min)=5.15 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0602	Biopterin isomer [(M+H)]+	C9H12N5O3	237.085675	C18rt(min)=5.15 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00238	Sepiapterin	C9H11N5O3	237.086182	NA	HMDB2010	NA	NA
+HMDB00468	Biopterin	C9H11N5O3	237.086182	NA	HMDB2010	NA	NA
+HMDB00633	D-Biopterin	C9H11N5O3	237.086182	NA	HMDB2010	NA	NA
+HMDB00817	Orinapterin	C9H11N5O3	237.086182	NA	HMDB2010	NA	NA
+HMDB01195	Dyspropterin	C9H11N5O3	237.086182	NA	HMDB2010	NA	NA
+HMDB02263	Primapterin	C9H11N5O3	237.086182	NA	HMDB2010	NA	NA
+MJ012919	6-Pyruvoyltetrahydropterin 	C9H11N5O3	237.086189	NA	MeJP	NA	NA
+MJ012920	5,6,7,8-Tetrahydrobiopterin, 1',2'-Diketone 	C9H11N5O3	237.086189	NA	MeJP	NA	NA
+MJ012921	Anapterin, 3'-Deoxy 	C9H11N5O3	237.086189	NA	MeJP	NA	NA
+MJ012922	Biopterin 	C9H11N5O3	237.086189	NA	MeJP	NA	NA
+MJ012923	Eritadenine, 3-Deoxy 	C9H11N5O3	237.086189	NA	MeJP	NA	NA
+MJ012924	Sepiapterin 	C9H11N5O3	237.086189	NA	MeJP	NA	NA
+MetaCyc02174	sepiapterin []	C9H11N5O3	237.086189	17094-01-8	metacyc	NA	NA
+MetaCyc02175	6-pyruvoyltetrahydropterin [6-pyruvoyl-5,6,7,8-tetrahydropterin;6-(1,2-Dioxopropyl)-5,6,7,8-tetrahydropterin;pyruvoyl-H4-pterin;]	C9H11N5O3	237.086189	NA	metacyc	NA	NA
+HMDB00468	Biopterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB00468	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00238	Sepiapterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB00238	HMDB	NA	NA
+HMDB00468	Biopterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB00468	HMDB	NA	NA
+HMDB00633	D-Biopterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB00633	HMDB	NA	NA
+HMDB00817	Orinapterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB00817	HMDB	NA	NA
+HMDB01195	Dyspropterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB01195	HMDB	NA	NA
+HMDB02263	Primapterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB02263	HMDB	NA	NA
+C00835	Sepiapterin	C9H11N5O3	237.0862	NA	KEGG	NA	NA
+C03684	6-Pyruvoyltetrahydropterin	C9H11N5O3	237.0862	NA	KEGG	NA	NA
+C06313	Biopterin	C9H11N5O3	237.0862	NA	KEGG	NA	NA
+HMDB00468	Biopterin	C9H11N5O3	237.0862	http://www.hmdb.ca/metabolites/HMDB00468	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00238	Sepiapterin	C9H11N5O3	237.0862	HMDB00238	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00468	Biopterin	C9H11N5O3	237.0862	HMDB00468	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00633	D-Biopterin	C9H11N5O3	237.0862	HMDB00633	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00817	Orinapterin	C9H11N5O3	237.0862	HMDB00817	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01195	Dyspropterin	C9H11N5O3	237.0862	HMDB01195	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02263	Primapterin	C9H11N5O3	237.0862	HMDB02263	PFEM_hmdb_metabocards_official	NA	NA
+C07525	Ketamine	C13H16ClNO	237.092	NA	KEGG	NA	NA
+MJ012925	Ketamine 	C13H16ClNO	237.092041	NA	MeJP	NA	NA
+MJ012926	-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, amide 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012927	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinolineyl 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012928	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, amide 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012929	4-Amino-2-hydroxybenzoic acid; O-Et, N-Ac, Me ester 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012930	5-(Hydroxymethyl)-3-(4-methoxyphenyl)-2-oxazolidinone, 5-Me ether 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012931	Cotarnine 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012932	Cyclodopa, O5,N,N-Tri-Me 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012933	Flavipucine 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012934	Fruit rot toxin A 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012935	Fumariflorine 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012936	Funebradiol 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012937	Funebral 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+MJ012938	Isoflavipucine 	C12H15NO4	237.100107	NA	MeJP	NA	NA
+8070	synthetic peptide	RHY	237.111	MH2+	Inhouse_peptide	NA	peptide
+8077	synthetic peptide	RWN	237.11145	MH2+	Inhouse_peptide	NA	peptide
+MJ012939	10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid; Amide 	C16H15NO	237.115364	NA	MeJP	NA	NA
+MJ012940	4-[[2-(1-Methyl-2-pyrrolidinyl)ethyl]thio]phenol 	C13H19NOS	237.118734	NA	MeJP	NA	NA
+MJ012941	1,2,3,4-Tetrahydro-5,6,7-trimethoxy-2-methylisoquinoline 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012942	1,2,3,4-Tetrahydro-5-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012943	1,2,3,4-Tetrahydro-6,7,8-trimethoxy-1-methylisoquinoline 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012944	1,2,3,4-Tetrahydro-6-hydroxy-7,8-dimethoxy-1-methylisoquinoline; N-Me 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012945	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012946	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methyl-2-butenoyl) 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012947	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-Angeloyl 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012948	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-(3-Methyl-2-butenoyl) 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012949	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Angeloyl 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012950	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-Angeloyl 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012951	2-tert-Butyl-1,2,3,4-tetrahydro-4,6,8-trihydroxyisoquinoline 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012952	3,4-Dimethoxybenzoic acid; 2-Methylpropylamide 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012953	7-Hydroxy-1-methylenepyrrolizidine, Angeloyl, N-oxide 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012954	Angustimaline 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012955	Campestrine 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012956	Codonopsine; 3'-Demethoxy 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012957	Detanosal 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012958	Dioscorine; N-Oxide 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012959	Kuwaitimycin 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012960	Nilemycin 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012961	Viloxazine 	C13H19NO3	237.136493	NA	MeJP	NA	NA
+MJ012962	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-2-methylisoquinoline; N-Me 	C13H20NO3(+)	237.136493	NA	MeJP	NA	NA
+C09445	Gigantine	C13H19NO3	237.1365	NA	KEGG	NA	NA
+C09604	(-)-Pellotine	C13H19NO3	237.1365	NA	KEGG	NA	NA
+C10278	O-7-Angelylheliotridine	C13H19NO3	237.1365	NA	KEGG	NA	NA
+C16705	Anhalonine	C13H19NO3	237.1365	NA	KEGG	NA	NA
+MJ012963	Murexine; N-Me 	C12H20N3O2(+)	237.147726	NA	MeJP	NA	NA
+MJ012964	2-(Diphenylmethylene)butylamine 	C17H19N	237.151749	NA	MeJP	NA	NA
+MJ012965	3-Phenyl-1-indanamine, N,N-Di-Me 	C17H19N	237.151749	NA	MeJP	NA	NA
+MJ012966	Tametraline 	C17H19N	237.151749	NA	MeJP	NA	NA
+C05314	N-Methyl-(R,S)-tetrahydrobenzylisoquinoline	C17H19N	237.1518	NA	KEGG	NA	NA
+MJ012967	Argvalin 	C11H19N5O	237.15896	NA	MeJP	NA	NA
+MJ012968	Piroctone 	C14H23NO2	237.172878	NA	MeJP	NA	NA
+MJ012969	2,4-Decadienoic acid, 2-Methylbutylamide 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012970	2,4-Decadienoic acid, 3-Methylbutylamide 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012971	2,4-Undecadienoic acid, 2-Methylpropylamide 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012972	3-Butyl-5-propanoylindolizidine 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012973	7-Amino-2,10-bisaboladiene, ?11-Isomer, 10R-hydroxy 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012974	7-Amino-2,10-bisaboladiene, ?11-Isomer, 10S-hydroxy 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012975	7-Amino-2,10-bisaboladiene, ?9-Isomer, 11-hydroxy 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012976	Dendrobates Alkaloid 237A 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012977	Poranthericine 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012978	Porantheridine 	C15H27NO	237.209264	NA	MeJP	NA	NA
+MJ012979	5-Butyl-6,8-diethylindolizidine 	C16H31N	237.245649	NA	MeJP	NA	NA
+MJ012980	Dendrobates Alkaloid 237D 	C16H31N	237.245649	NA	MeJP	NA	NA
+3407	ACE inhibitor	MYY	237.5832	MH2+	Inhouse_peptide	NA	peptide
+7949	synthetic peptide	YYM	237.5832	MH2+	Inhouse_peptide	NA	peptide
+7970	synthetic peptide	MYY	237.5832	MH2+	Inhouse_peptide	NA	peptide
+7971	synthetic peptide	YMY	237.5832	MH2+	Inhouse_peptide	NA	peptide
+MJ012981	1-Bromo-1,3,3-trichloro-2-propanone 	C3H2BrCl3O	237.83546	NA	MeJP	NA	NA
+MJ012982	2-Bromo-4-chloro-1,3,5-benzenetriol 	C6H4BrClO3	237.903234	NA	MeJP	NA	NA
+MJ012983	Fluopsin N 	C4H8N2NiO2S2	237.938066	NA	MeJP	NA	NA
+C14192	2,6-Dichloro-4'-biphenylol	C12H8Cl2O	237.9952	NA	KEGG	NA	NA
+C14193	2,5-Dichloro-4'-biphenylol	C12H8Cl2O	237.9952	NA	KEGG	NA	NA
+C14370	2-Hydroxy-3,5-dichlorobiphenyl	C12H8Cl2O	237.9952	NA	KEGG	NA	NA
+C14371	4-Hydroxy-3,5-dichlorobiphenyl	C12H8Cl2O	237.9952	NA	KEGG	NA	NA
+C14734	2',5'-Dichloro-3-biphenylol	C12H8Cl2O	237.9952	NA	KEGG	NA	NA
+C14736	2',5'-Dichloro-2-biphenylol	C12H8Cl2O	237.9952	NA	KEGG	NA	NA
+MJ012984	1,6,8-Trichloro-2,4-ochtodiene 	C10H13Cl3	238.008283	NA	MeJP	NA	NA
+MJ012985	4-Chloro-5-(2-chloroethenyl)-1-chloromethyl-5-methylcyclohexane 	C10H13Cl3	238.008283	NA	MeJP	NA	NA
+MJ012986	Plocamene B 	C10H13Cl3	238.008283	NA	MeJP	NA	NA
+MJ012987	Plocamene D 	C10H13Cl3	238.008283	NA	MeJP	NA	NA
+MJ012988	Plocamene E 	C10H13Cl3	238.008283	NA	MeJP	NA	NA
+C17105	Plocamene D	C10H13Cl3	238.0083	NA	KEGG	NA	NA
+C17108	Plocamene E	C10H13Cl3	238.0083	NA	KEGG	NA	NA
+C17110	Plocamene B	C10H13Cl3	238.0083	NA	KEGG	NA	NA
+MJ012989	6-Bromotryptamine 	C10H11BrN2	238.010561	NA	MeJP	NA	NA
+MJ012990	2,3,5,6,8-Pentahydroxy-1,4-naphthoquinone 	C10H6O7	238.011352	NA	MeJP	NA	NA
+MJ012991	Antibiotic SQ 26180 	C6H10N2O6S	238.025956	NA	MeJP	NA	NA
+C16842	SQ 26180	C6H10N2O6S	238.026	NA	KEGG	NA	NA
+MJ012992	Nitrofurantoin 	C8H6N4O5	238.033819	NA	MeJP	NA	NA
+MJ012993	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate 	C6H11N2O6P	238.035472	NA	MeJP	NA	NA
+MetaCyc02176	D-erythro-imidazole-glycerol-phosphate [D-erythro-1-(imidazol-4-yl)-glycerol-3-phosphate;D-erythro-imidazole-glycerol-P;erythro-imidazole-glycerol-P;erythro-imidazole-glycerol-phosphate;imidazole glycerol phosphate;IGP;]	C6H11N2O6P1	238.035473	NA	metacyc	NA	NA
+HMDB12208	D-Erythro-imidazole-glycerol-phosphate	C6H11N2O6P	238.035477	NA	HMDB2010	NA	NA
+C04666	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate	C6H11N2O6P	238.0355	NA	KEGG	NA	NA
+C04667	N-Acetyl-D-glucosaminyl-poly(ribitol phosphate)	C6H11N2O6P	238.0355	NA	KEGG	NA	NA
+MJ012994	Desferroferrithiocin 	C10H10N2O3S	238.041212	NA	MeJP	NA	NA
+MJ012995	2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone; 6,7-Dihydro 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ012996	2,3-Dihydroxybenzoic acid; Di-Ac 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ012997	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ012998	6,7,8-Trihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 7-Me ether 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ012999	Convolvulol; 1'-Carboxylic acid, 3?-hydroxy 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ013000	Cyclopaldic acid 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ013001	Malic acid, O-Benzoyl 	C11H10O6	238.047738	NA	MeJP	NA	NA
+MJ013002	4-Chlorotryptophan 	C11H11ClN2O2	238.050905	NA	MeJP	NA	NA
+MJ013003	5-Chlorotryptophan 	C11H11ClN2O2	238.050905	NA	MeJP	NA	NA
+MJ013004	7-Chlorotryptophan 	C11H11ClN2O2	238.050905	NA	MeJP	NA	NA
+MJ013005	1-(1-Propenylthio)propyl propyl disulfide, 7-Oxide 	C9H18OS3	238.051977	NA	MeJP	NA	NA
+MJ013006	1-(2-Propenylthio)propyl propyl disulfide; 7-Oxide 	C9H18OS3	238.051977	NA	MeJP	NA	NA
+MJ013007	1-Propenyl 1-(propylthio)propyl disulfide, 7-Oxide 	C9H18OS3	238.051977	NA	MeJP	NA	NA
+MJ013008	2-Propenyl 1-(propylthio)propyl disulfide; 7-Oxide 	C9H18OS3	238.051977	NA	MeJP	NA	NA
+MJ013009	?-Amino-3-nitro-?-oxobenzenebutanoic acid 	C10H10N2O5	238.058971	NA	MeJP	NA	NA
+MJ013010	Sinitrodil 	C10H10N2O5	238.058971	NA	MeJP	NA	NA
+MJ013011	Picartamide 	C11H14N2S2	238.059839	NA	MeJP	NA	NA
+MJ013012	Cystathionine, S-Oxide 	C7H14N2O5S	238.062342	NA	MeJP	NA	NA
+HMDB02399	Cystathionine sulfoxide	C7H14N2O5S	238.062347	NA	HMDB2010	NA	NA
+HMDB02399	Cystathionine sulfoxide	C7H14N2O5S	238.06235	http://www.hmdb.ca/metabolites/HMDB02399	HMDB	NA	NA
+HMDB02399	Cystathionine sulfoxide	C7H14N2O5S	238.06235	HMDB02399	PFEM_hmdb_metabocards_official	NA	NA
+FL3F98NS0001	2'-Hydroxyflavone	C15H10O3	238.06299	35244-11-2	knapsack	NA	NA
+FL3F99NS0003	Primuletin	C15H10O3	238.06299	491-78-1	knapsack	NA	NA
+MJ013013	1-Hydroxy-2-methylanthraquinone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013014	1-Hydroxy-3-methylanthraquinone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013015	1-Hydroxy-7-methylanthraquinone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013016	1-Hydroxyanthraquinone; Me ether 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013017	2'-Hydroxyflavone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013018	2-(Hydroxymethyl)anthraquinone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013019	2-Hydroxy-3-methylanthraquinone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013020	2-Hydroxyanthraquinone; Me ether 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013021	2-Isopropenylnaphtho[2,3-b]furan-4,9-quinone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013022	3-Hydroxy-1,4-phenanthraquinone; Me ether 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013023	3-Hydroxyflavone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013024	4'-Hydroxyflavone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013025	5-Hydroxyflavone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013026	7-Hydroxyflavone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013027	7-Hydroxyisoflavone 	C15H10O3	238.062994	NA	MeJP	NA	NA
+MJ013028	3,4'-Dihydroxyflavylium(1+) 	C15H11O3(+)	238.062994	NA	MeJP	NA	NA
+MJ013029	3,7-Dihydroxyflavylium(1+) 	C15H11O3(+)	238.062994	NA	MeJP	NA	NA
+MJ013030	4',6-Dihydroxyflavylium(1+) 	C15H11O3(+)	238.062994	NA	MeJP	NA	NA
+MJ013031	4',7-Dihydroxyflavylium(1+) 	C15H11O3(+)	238.062994	NA	MeJP	NA	NA
+MJ013032	5,7-Dihydroxyflavylium(1+) 	C15H11O3(+)	238.062994	NA	MeJP	NA	NA
+MetaCyc02177	flavonol []	C15H10O3	238.062994	NA	metacyc	NA	NA
+C01495	Flavonol	C15H10O3	238.063	NA	KEGG	NA	NA
+C01496	Fructose	C15H10O3	238.063	NA	KEGG	NA	NA
+C01498	Gelatine	C15H10O3	238.063	NA	KEGG	NA	NA
+C02921	2'-Hydroxyisoflavone	C15H10O3	238.063	NA	KEGG	NA	NA
+C10354	2-Hydroxymethylanthraquinone	C15H10O3	238.063	NA	KEGG	NA	NA
+C11264	7-Hydroxyflavone	C15H10O3	238.063	NA	KEGG	NA	NA
+C14137	6-Hydroxyflavone	C15H10O3	238.063	NA	KEGG	NA	NA
+C15615	7-Hydroxyisoflavone	C15H10O3	238.063	NA	KEGG	NA	NA
+MJ013033	3-(Methylthio)-2-propenoic acid, 2-Methoxybenzyl ester 	C12H14O3S	238.066365	NA	MeJP	NA	NA
+MJ013034	Rufinamide 	C10H8F2N4O	238.066617	NA	MeJP	NA	NA
+MJ013035	3-Deoxy-D-manno-octulosonate 	C8H14O8	238.068867	NA	MeJP	NA	NA
+MetaCyc02178	3-deoxy-D-manno-octulosonate [deoxy-manno-octulosonate;2-dehydro-3-deoxy-D-octonate;KDO;ketodeoxyoctonate;]	C8H14O8	238.068867	NA	metacyc	NA	NA
+MetaCyc02179	3-deoxyoctulosonate [3-deoxyoctulosonic acid;3-deoxy-D-manno-octulosonate;KDO;2-dehydro-3-deoxy-D-octonate;3-deoxy-D-manno-2-octulosonate;]	C8H14O8	238.068867	NA	metacyc	NA	NA
+C01187	3-Deoxy-D-manno-octulosonate	C8H14O8	238.0689	NA	KEGG	NA	NA
+C02333	Xanthopterin-B2	C9H10N4O4	238.0702	NA	KEGG	NA	NA
+MJ013036	1-Theobromineacetic acid 	C9H10N4O4	238.070204	NA	MeJP	NA	NA
+MJ013037	Acefylline 	C9H10N4O4	238.070204	NA	MeJP	NA	NA
+MJ013038	Nifurimide 	C9H10N4O4	238.070204	NA	MeJP	NA	NA
+MetaCyc02180	xanthopterin-B2 [Xanthopterin;]	C9H10N4O4	238.070205	119-44-8	metacyc	NA	NA
+MJ013039	Tetrazolast 	C10H6N8	238.071542	NA	MeJP	NA	NA
+C10596	Halfordinol	C14H10N2O2	238.0742	NA	KEGG	NA	NA
+MJ013040	1-Phenazinecarboxylic acid; Me ester 	C14H10N2O2	238.074227	NA	MeJP	NA	NA
+MJ013041	1-Vinyl-?-carboline-3-carboxylic acid 	C14H10N2O2	238.074227	NA	MeJP	NA	NA
+MJ013042	4-Quinazolinol; 3H-form, N-(2-Hydroxyphenyl) 	C14H10N2O2	238.074227	NA	MeJP	NA	NA
+MJ013043	Fluorodaturatin; 4,5-Didehydro 	C14H10N2O2	238.074227	NA	MeJP	NA	NA
+MJ013044	Halfordinol 	C14H10N2O2	238.074227	NA	MeJP	NA	NA
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	PFEM_hmdb_metabocards_urine	NA	urine
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	HMDB	NA	NA
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	Inhouse_PFEM	NA	NA
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	15.69	Inhousejuil11	NA	NA
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	PFEM_hmdb_metabocards_blood	NA	blood
+JH167	Trimethoxycinnamic acid (3,4,5-) [M+H]+	C12H14O5	238.0838	Rtobs15.69	PFEM_hmdb_metabocards_official	NA	NA
+2882	Immunostimulating peptide	YG	238.084	NA	Inhouse_peptide	NA	peptide
+3532	ACE inhibitor	GY	238.084	ACE inhibitor	Inhouse_peptide	NA	peptide
+3553	ACE inhibitor	YG	238.084	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB02511	3,4,5-Trimethoxycinnamic acid	C12H14O5	238.08412	http://www.hmdb.ca/metabolites/HMDB02511	HMDB	NA	NA
+HMDB02511	3,4,5-Trimethoxycinnamic acid	C12H14O5	238.08412	HMDB02511	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02511	3,4,5-Trimethoxycinnamic acid	C12H14O5	238.084122	NA	HMDB2010	NA	NA
+HMDB11721	Trans-2, 3, 4-Trimethoxycinnamate	C12H14O5	238.084122	NA	HMDB2010	NA	NA
+MJ013045	1,2-Ethanediol; 4-Hydroxy-3-methoxycinnamoyl(E-) 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013046	1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 1,2-Diketone, 2',4',5'-tri-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013047	1-O-Coumaroylglycerol 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013048	2,3-Dihydro-2,5,7-trihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013049	2,3-Dihydro-2,5,7-trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 7-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013050	2,5,7-Trihydroxy-2-isopropyl-4-chromanone 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013051	2-(2,3-Dimethoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013052	2-Acetyl-3,5-dihydroxyphenylacetic acid; Di-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013053	2-Acetyl-3,5-dihydroxyphenylacetic acid; Et ester 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013054	2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid; Lactol-form, Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013055	2-O-Coumaroylglycerol 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013056	3,4-Dihydro-3,6,8-trihydroxy-3,5,7-trimethyl-1H-2-benzopyran-1-one 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013057	3,4-Dihydro-4,6,8-trihydroxy-7-hydroxymethyl-1(2H)-naphthalenone, 6-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013058	3,4-Dihydro-6,7,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one, 6,7-Di-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013059	3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013060	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013061	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone; 7-Me ether, 1'-methoxy 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013062	Cinametic acid 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013063	Multiforisin A; Me ether 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013064	Radicinol 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013065	Sporovexin A 	C12H14O5	238.084123	NA	MeJP	NA	NA
+MJ013066	Velaresol 	C12H14O5	238.084123	NA	MeJP	NA	NA
+3770	ACE inhibitor	AHSY	238.095	MH2+	Inhouse_peptide	NA	peptide
+MJ013067	1-(3-Methyl-2-oxo-5-pyrrolinyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid 	C11H14N2O4	238.095356	NA	MeJP	NA	NA
+MJ013068	2-Amino-4-nitrophenol; Propyl ether, N-Ac 	C11H14N2O4	238.095356	NA	MeJP	NA	NA
+MJ013069	2-Phenyl-1,3-propanediol; Dicarbamate 	C11H14N2O4	238.095356	NA	MeJP	NA	NA
+MJ013070	Glutamine, N5-(4-Hydroxyphenyl) 	C11H14N2O4	238.095356	NA	MeJP	NA	NA
+C07501	Felbamate	C11H14N2O4	238.0954	NA	KEGG	NA	NA
+PJ000077	GY 	C11H14N2O4	238.0954	NA	PeJP	NA	NA
+CJneg0441	Sebacic acid [M+Cl]-	C10H18O4Cl	238.097725	C18rt(min)=7.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0442	Heptylmalonic acid  [(M+Cl)]-	C10H18ClO4	238.097725	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0441	Sebacic acid [M+Cl]-	C10H18O4Cl	238.097725	C18rt(min)=7.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0442	Heptylmalonic acid  [(M+Cl)]-	C10H18ClO4	238.097725	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+FL1C99NS0001	4'-Methoxychalcone	C16H14O2	238.09937	22966-19-4	knapsack	NA	NA
+MJ013071	1-(4-Hydroxyphenyl)-3-phenyl-2-propen-1-one; Me ether 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013072	1-Hydroxy-2,5,8-trimethyl-9H-fluoren-9-one 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013073	2,6-Dihydroxy-1,7-dimethylphenanthrene 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013074	2-(2-Fluorenyl)propanoic acid 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013075	3-Phenyl-2-propenoic acid, Benzyl ester 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013076	4-Hydroxy-2,4-diphenyl-2-butenal 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013077	6-Hydroxy-4-(2-phenylethyl)benzofuran 	C16H14O2	238.099379	NA	MeJP	NA	NA
+MJ013078	Thiotetromycin 	C13H18O2S	238.10275	NA	MeJP	NA	NA
+MJ013079	D-glycero-L-manno-Heptose; ?-Pyranose-form, Et glycoside 	C9H18O7	238.105252	NA	MeJP	NA	NA
+MJ013080	Protheobromine 	C10H14N4O3	238.10659	NA	MeJP	NA	NA
+MJ013081	Proxyphylline 	C10H14N4O3	238.10659	NA	MeJP	NA	NA
+MJ013082	Pyridazomycin 	C10H14N4O3	238.10659	NA	MeJP	NA	NA
+MJ013083	5,5-Diphenyl-4-imidazolidinone 	C15H14N2O	238.110613	NA	MeJP	NA	NA
+MJ013084	Semoxind 	C15H14N2O	238.110613	NA	MeJP	NA	NA
+MJ013085	1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013086	1-(3-Ethyl-2,4,6-trihydroxyphenyl)-1-butanone; 6-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013087	2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013088	2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, Et ester 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013089	2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 4'-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013090	2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-butanone; 4'-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013091	2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 2',4'-Di-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013092	2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4',6'-Di-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013093	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; Tri-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013094	3,5-Dihydroxy-4,4-dimethyl-2-(1-oxopentyl)-2,5-cyclohexadien-1-one 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013095	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 1,3',4',5'-Tetra-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013096	4-(3,4-Dimethoxyphenyl)-3-butene-1,2-diol, 2-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013097	4-Hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)acetophenone; 3',4'-Dihydro, 3'-hydroxy 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013098	5-(1-Propenyl)-1,2,3,4-benzenetetrol, Tetra-Me ether 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013099	Agglomerone 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013100	Ascosalipyrone 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013101	Fraginol 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013102	Sporothriolide 	C13H18O4	238.120509	NA	MeJP	NA	NA
+MJ013103	Rolodine 	C14H14N4	238.121846	NA	MeJP	NA	NA
+MJ013104	Flutimide 	C12H18N2O3	238.131742	NA	MeJP	NA	NA
+MJ013105	Nealbarbital 	C12H18N2O3	238.131742	NA	MeJP	NA	NA
+MJ013106	Quinalbarbitone 	C12H18N2O3	238.131742	NA	MeJP	NA	NA
+MJ013107	1,7,9,15-Heptadecatetraene-11,13-diyn-6-one 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013108	1,7,9-Heptadecatriene-11,13,15-triyn-6-ol 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013109	1-(4-Ethylphenyl)-3-phenyl-1-propanone 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013110	2,8,10,16-Heptadecatetraene-4,6-diynal 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013111	3-(4-Ethylphenyl)-1-phenyl-1-propanone 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013112	3-Methyl-10-phenyl-3,5,7,9-decatetraen-2-one 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013113	5,7,9,15-Heptadecatetraene-11,13-diyn-4-one 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013114	5,7,9-Heptadecatriene-11,13,15-triyn-4-ol 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013115	7,9-Heptadecadiene-11,13,15-triynal 	C17H18O	238.135765	NA	MeJP	NA	NA
+MJ013116	Gibberone 	C17H18O	238.135765	NA	MeJP	NA	NA
+C11079	Pirimicarb	C11H18N4O2	238.143	NA	KEGG	NA	NA
+MJ013117	1,2,3,4-Tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine 	C16H18N2	238.146998	NA	MeJP	NA	NA
+MJ013118	1-(3-Methylbutyl)-?-carboline 	C16H18N2	238.146998	NA	MeJP	NA	NA
+MJ013119	10-Amino-10,11-dihydro-5H-dibenz[b,f]azepine, 5,10-Di-N-Me 	C16H18N2	238.146998	NA	MeJP	NA	NA
+MJ013120	Agroclavine 	C16H18N2	238.146998	NA	MeJP	NA	NA
+MJ013121	Cycloclavine 	C16H18N2	238.146998	NA	MeJP	NA	NA
+MJ013122	Lysergol; Deoxy 	C16H18N2	238.146998	NA	MeJP	NA	NA
+C09023	Agroclavine	C16H18N2	238.147	NA	KEGG	NA	NA
+MJ013123	13-Hydroxy-2,4,8-tetradecatrienoic acid 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013124	3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013125	3-(4-Hydroxyphenyl)-1-propanol; 4'-O-(4-Hydroxy-3-methylbutyl) 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013126	4,9-Dihydroxy-13-nor-7-eudesmen-11-one 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013127	5,8-Dihydroxy-14-nor-7-marasmanone 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013128	6-Hydroxy-2-nor-2,3-seco-1,3-allohimachalanedione, 6-Ketone 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013129	Appenolide A; 8'-Alcohol 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013130	Appenolide A; 8'-Deoxo, 7'-hydroxy 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013131	Mikaniahumulene II 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013132	Rishitin M1 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013133	Serricorole; 2'-Ketone 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013134	Sulcatine C 	C14H22O3	238.156894	NA	MeJP	NA	NA
+MJ013135	Nitropolyzonamine 	C13H22N2O2	238.168127	NA	MeJP	NA	NA
+MJ013136	1,2,3,4-Tetrahydro-1,1,7,8-tetramethylphenanthrene 	C18H22	238.17215	NA	MeJP	NA	NA
+MJ013137	1(10),4(15)-Germacradiene-5,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013138	1(10),4-Germacradien-6-ol, 4?,5?-Epoxide 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013139	1(10),4-Germacradiene-2,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013140	1(10),4-Germacradiene-6,8-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013141	1(10),4-Germacradiene-6,9-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013142	1(10),5-Germacradien-4-ol, 11-Hydroxy 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013143	1(10),5-Germacradiene-3,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013144	1(10)-Eremophilene-11,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013145	1(10)-Eremophilene-2,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013146	1(10)-Eremophilene-8,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013147	1,10-Bisaboladiene-3,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013148	1,10-Bisaboladiene-3,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013149	1,2,12,13-Tetrahydro-3-hydroxy-2-oxobergamotene 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013150	1,3-Elemadiene-8,11-diol; 8?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013151	1,5,10-Farnesatriene-3,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013152	1,6,10-Farnesatriene-3,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013153	1,6,10-Farnesatriene-3,5-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013154	1,6,10-Farnesatriene-3,9-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013155	1,6,9-Farnesatriene-3,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013156	1,9,11-Farnesatriene-3,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013157	10(14)-Guaiene-4,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013158	10(14)-Guaiene-4,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013159	10,11-Epoxy-2-guaianal 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013160	10,12-Aromadendranediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013161	10,14-Aromadendranediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013162	10-Hydroxy-4-oplopanone 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013163	10-Hydroxy-6-guaianone 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013164	11(13)-Eudesmene-4,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013165	11,12-Epoxy-11-drimanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013166	11-Campherenene-4,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013167	11-Eudesmene-1,5-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013168	11-Eudesmene-2,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013169	11-Eudesmene-3,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013170	11-Eudesmene-4,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013171	11-Guaiene-4,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013172	11-Hydroxy-1(10)-germacren-3-one; 1(10)E-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013173	11-Oppositene-1,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013174	12-Hydroxy-11(13)-eudesmen-2-one; 11?,13-Dihydro 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013175	14-Thapsanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013176	15-Hydroxydihydro-?-agarofuran 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013177	2,10-Bisaboladiene-1,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013178	2,10-Bisaboladiene-1,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013179	2,10-Bisaboladiene-1,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013180	2,10-Bisaboladiene-6,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013181	2,10-Bisaboladiene-7,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013182	2,10-Bisaboladiene-7,15-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013183	2,11-Bisaboladiene-1,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013184	2,11-Bisaboladiene-7,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013185	2,6,10-Farnesatriene-1,9-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013186	2,6-Epoxy-3-himachalanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013187	2,7(14)-Bisaboladiene-10,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013188	2,9-Bisaboladiene-7,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013189	2-Allohimachalene-4,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013190	2-Bisabolene-1,12-diol; 1-Ketone 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013191	2-Himachalen-7-ol; 7?-form, 2?,3?-Epoxide 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013192	2-Himachalene-4,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013193	2-Himachalene-7,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013194	2-Hydroxy-11-spirovetiven-14-al; 14-Alcohol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013195	3(15)-Caryophyllene-6,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013196	3,10-Africananediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013197	3,12-Cedranediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013198	3,15-Africananediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013199	3,15-Cedranediol; 3?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013200	3,6-Caryolanediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013201	3,7-Dimethyl-2,6-octadien-1-ol, O-(3-Methylbutanoyl) 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013202	3,7-Epoxy-1,10-farnesadien-6-ol; 6?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013203	3-Cadinen-10-ol; 10?-form, 3?,4?-Epoxide 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013204	3-Eudesmene-1,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013205	3-Eudesmene-1,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013206	3-Eudesmene-11,12-diol; 11?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013207	3-Eudesmene-11,15-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013208	3-Eudesmene-6,11-diol; 6?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013209	3-Eudesmene-6,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013210	3-Himachalene-2,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013211	3-Hydroxy-5-allohimachalone 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013212	3-Methyl-5-(1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl)-1-penten-3-ol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013213	4(13)-Precapnellene-3,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013214	4(15),7(11)-Oppositadien-1-ol, 7,11-Dihydro, 11-hydroxy 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013215	4(15)-Cadinene-6,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013216	4(15)-Eudesmene-1,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013217	4(15)-Eudesmene-1,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013218	4(15)-Eudesmene-11,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013219	4(15)-Eudesmene-2,11-diol; 2?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013220	4(15)-Eudesmene-3,11-diol; 3?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013221	4(15)-Eudesmene-5,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013222	4(15)-Eudesmene-6,11-diol; 6?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013223	4(15)-Eudesmene-6,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013224	4(15)-Eudesmene-8,11-diol; 8?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013225	4(15)-Guaiene-6,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013226	4,10(14)-Germacradiene-1,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013227	4,10-Aromadendranediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013228	4,10-Epoxy-5-muurolanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013229	4,10-Epoxy-6-guaianol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013230	4,11,11-Trimethyltricyclo[6.3.1.02,5]dodecane-6,8-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013231	4,11-Cubebanediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013232	4,11-Epoxy-5-amorphanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013233	4,7-Epoxy-5-muurolanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013234	4,7-Tridecadien-1-ol, Ac 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013235	4-Amorphene-3,7-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013236	4-Cadinene-10,14-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013237	4-Cadinene-2,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013238	4-Cadinene-3,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013239	4-Eudesmene-1,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013240	4-Eudesmene-3,11-diol; 3?-form 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013241	4-Hydroxy-7-oppositanone 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013242	4-Muurolene-3,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013243	4-Muurolene-7,15-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013244	5(14),9-Cyclofarnesadiene-2,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013245	5(1?10)-Abeo-1,12-patchoulanediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013246	5(1?10)-Abeo-1,8-patchoulanediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013247	5,10(14)-Germacradiene-1,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013248	5,11-Epoxy-15-guaianol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013249	5,11-Epoxyguaiane, 3?-Hydroxy 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013250	5,11-Epoxyguaiane, 9?-Hydroxy 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013251	5,8-Epoxy-9-daucanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013252	5,8-Tetradecadienoic acid, Me ester 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013253	5-Eudesmene-1,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013254	6,10-Epoxy-7-isodaucanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013255	6,7-Epoxy-2-humulen-1-ol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013256	6,7-Epoxy-3-caryophyllanol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013257	6,8-Cyclo-1,4-eudesmanediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013258	6-Guaiene-4,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013259	6-Hydroxy-6,7-seco-3(15)-caryophyllen-7-one 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013260	7(11)-Oppositene-1,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013261	7(14)-Isodaucene-6,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013262	7,10-Epoxy-2-guaianol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013263	7-Drimene-11,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013264	7-Drimene-3,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013265	7-Eudesmene-1,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013266	7-Eudesmene-11,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013267	7-Guaiene-4,10-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013268	7-Hydroxy-6,11-cyclofarnes-3(15)-en-2-one 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013269	7-Methyl-3-propyl-2,6-nonadien-1-ol, Ac 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013270	8-Daucene-3,4-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013271	8-Daucene-4,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013272	9,10-Trichoene-12,13-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013273	9-Campherenene-4,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013274	9-Eremophilene-11,12-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013275	9-Guaiene-4,6-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013276	9-Oxo-15-bisabolanol; 15-Aldehyde 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013277	?-Bisabolol oxide A 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013278	?-Bisabolol oxide B 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013279	?-Santal-10-ene-3,8-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013280	Arenaran A; 9?,10?-Epoxide 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013281	Botrydiol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013282	Campherene-2,13-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013283	Chiloscypholone; 11,12-Dihydro 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013284	Chokol B 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013285	Chokol C 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013286	Chokol H 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013287	Chokol K; 8-Hydroxy 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013288	Clovanediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013289	Cryptofauronol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013290	Culmorin 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013291	Dysifragin 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013292	Hanamyol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013293	Isoculmorin 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013294	Junipediol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013295	Kanokonol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013296	Paludolone 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013297	Seiricardine A 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013298	Seiricardine B 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013299	Senecrassidiol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013300	Tremulenediol A 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013301	Tremulenediol B 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013302	Tremulenediol C 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013303	Tricyclohumuladiol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013304	Trifarienol A 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013305	Valerianoid B 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013306	Widdrol; 5?,6?-Epoxide 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013307	p-Menth-1-en-7-oic acid, 1,1-Dimethylpropyl ester 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013308	?-Agarofuran; 3,4-Dihydro, 4?-hydroxy 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013309	?-Bisabolol oxide A 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013310	?-Bisabolol oxide B 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013311	?-Bisabolol oxide C 	C15H26O2	238.19328	NA	MeJP	NA	NA
+MJ013312	?-Santalane-10,11-diol 	C15H26O2	238.19328	NA	MeJP	NA	NA
+C09632	Centarol	C15H26O2	238.1933	NA	KEGG	NA	NA
+C09652	Daucol	C15H26O2	238.1933	NA	KEGG	NA	NA
+C09653	Debneyol	C15H26O2	238.1933	NA	KEGG	NA	NA
+C09722	Seiricardine A	C15H26O2	238.1933	NA	KEGG	NA	NA
+C16773	Bisabolol oxide A	C15H26O2	238.1933	NA	KEGG	NA	NA
+C16774	Bisabolol oxide B	C15H26O2	238.1933	NA	KEGG	NA	NA
+C16920	Bornyl isovalerate	C15H26O2	238.1933	NA	KEGG	NA	NA
+C17427	Kanokonol	C15H26O2	238.1933	NA	KEGG	NA	NA
+MJ013313	10,12-Hexadecadien-1-ol 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013314	10-Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013315	11-Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013316	12-Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013317	15-Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013318	3,5,7,9-Tetramethyl-3-dodecen-2-one 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013319	3-Methylcyclopentadecanone 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013320	7,11-Hexadecadien-1-ol 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013321	7-Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013322	9-Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MJ013323	Hexadecenal 	C16H30O	238.229665	NA	MeJP	NA	NA
+MetaCyc02181	2-trans-Hexadecenal []	C16H30O1	238.229666	NA	metacyc	NA	NA
+C06123	Hexadecenal	C16H30O	238.2297	NA	KEGG	NA	NA
+C16873	Bombykol	C16H30O	238.2297	NA	KEGG	NA	NA
+MJ013324	1-Heptadecene 	C17H34	238.266051	NA	MeJP	NA	NA
+MJ013325	8-Heptadecene 	C17H34	238.266051	NA	MeJP	NA	NA
+7880	peptide from actin, pork muscles	DSGVT	238.59745	MH2+	Inhouse_peptide	NA	peptide
+29	Myofibrillar	DSGVT	238.598	MH2+	Inhouse_peptide	NA	peptide
+MJ013326	N,N-Dichloro-4-methylbenzenesulfonamide 	C7H7Cl2NO2S	238.957454	NA	MeJP	NA	NA
+MJ013327	Meseclazone 	C11H10ClNO3	239.03492	NA	MeJP	NA	NA
+MJ013328	Flosequinan 	C11H10FNO2S	239.041627	NA	MeJP	NA	NA
+MJ013329	Furmethoxadone 	C9H9N3O5	239.05422	NA	MeJP	NA	NA
+C08477	Dianthalexin	C14H9NO3	239.0582	NA	KEGG	NA	NA
+C10583	Crinasiadine	C14H9NO3	239.0582	NA	KEGG	NA	NA
+MJ013330	8,9-Methylenedioxyphenanthridine; 3-Hydroxy 	C14H9NO3	239.058243	NA	MeJP	NA	NA
+MJ013331	Crinasiadine 	C14H9NO3	239.058243	NA	MeJP	NA	NA
+MJ013332	Marcanine A 	C14H9NO3	239.058243	NA	MeJP	NA	NA
+MJ013333	5-(Isothiocyanatomethyl)-1,2,3-trimethoxybenzene 	C11H13NO3S	239.061613	NA	MeJP	NA	NA
+MJ013334	Xanthiazone 	C11H13NO3S	239.061613	NA	MeJP	NA	NA
+C11095	Clomazone	C12H14ClNO2	239.0713	NA	KEGG	NA	NA
+C16627	Albendazole-2-aminosulfone	C10H13N3O2S	239.0728	NA	KEGG	NA	NA
+MJ013335	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N-Ac 	C11H13NO5	239.079372	NA	MeJP	NA	NA
+MJ013336	Dioxolide A; O-Ac 	C11H13NO5	239.079372	NA	MeJP	NA	NA
+MJ013337	Monocillinol A 	C11H13NO5	239.079372	NA	MeJP	NA	NA
+MJ013338	Stresgenin B 	C11H13NO5	239.079372	NA	MeJP	NA	NA
+CJneg0443	4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)+(HCOOH)]-	C11H12NO5	239.079925	C18rt(min)=6.62 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0444	2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)+(HCOOH)]-	C11H12NO5	239.079925	C18rt(min)=6.13 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0443	4-Methylhippuric acid / 3-Methylhippuric acid [(M-H)+(HCOOH)]-	C11H12NO5	239.079925	C18rt(min)=6.62 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0444	2-methylhippuric acid (ortho-methylhippuric acid) [(M-H)+(HCOOH)]-	C11H12NO5	239.079925	C18rt(min)=6.13 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH149	Alanyl glutamine [M+Na]+	NA	239.0899	1.12	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH149	Alanyl glutamine [M+Na]+	NA	239.0899	1.12	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH149	Alanyl glutamine [M+Na]+	NA	239.0899	1.12	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH149	Alanyl glutamine [M+Na]+	NA	239.0899	1.12	Inhousejuil11	NA	NA
+MJ013339	Cyclopentenylcytosine 	C10H13N3O4	239.090605	NA	MeJP	NA	NA
+C03954	N-Hydroxy-2-acetamidofluorene	C15H13NO2	239.0946	NA	KEGG	NA	NA
+C14481	1-Hydroxy-2-acetamidofluorene	C15H13NO2	239.0946	NA	KEGG	NA	NA
+C14633	7-Hydroxy-2-acetamidofluorene	C15H13NO2	239.0946	NA	KEGG	NA	NA
+C14656	3-Hydroxy-2-acetamidofluorene	C15H13NO2	239.0946	NA	KEGG	NA	NA
+C14678	5-Hydroxy-2-acetamidofluorene	C15H13NO2	239.0946	NA	KEGG	NA	NA
+MJ013340	1-Hydroxyacridone; Me ether, N-Me 	C15H13NO2	239.094628	NA	MeJP	NA	NA
+MJ013341	Antibiotic TMC 120A; 2,11-Didehydro 	C15H13NO2	239.094628	NA	MeJP	NA	NA
+MetaCyc02182	N-hydroxy-2-acetamidofluorene []	C15H13N1O2	239.094629	NA	metacyc	NA	NA
+7911	synthetic peptide	WHH	239.0975	MH2+	Inhouse_peptide	NA	peptide
+7913	synthetic peptide	HWH	239.0975	MH2+	Inhouse_peptide	NA	peptide
+7916	synthetic peptide	HHW	239.0975	MH2+	Inhouse_peptide	NA	peptide
+C00268	Dihydrobiopterin	C9H13N5O3	239.1018	NA	KEGG	NA	NA
+C00269	CDP-diacylglycerol	C14H19N3O15P2R2	239.1018	NA	KEGG	NA	NA
+C02953	7,8-Dihydrobiopterin	C9H13N5O3	239.1018	NA	KEGG	NA	NA
+C04244	6-Lactoyl-5,6,7,8-tetrahydropterin	C9H13N5O3	239.1018	NA	KEGG	NA	NA
+HMDB00038	Dihydrobiopterin	C9H13N5O3	239.101837	NA	HMDB2010	NA	NA
+HMDB02065	6-Lactoyltetrahydropterin	C9H13N5O3	239.101837	NA	HMDB2010	NA	NA
+HMDB02215	4a-Carbinolamine tetrahydrobiopterin	C9H13N5O3	239.101837	NA	HMDB2010	NA	NA
+MJ013342	6-Lactoyl-5,6,7,8-tetrahydropterin 	C9H13N5O3	239.101839	NA	MeJP	NA	NA
+MJ013343	Dihydrobiopterin 	C9H13N5O3	239.101839	NA	MeJP	NA	NA
+MJ013344	Buciclovir 	C9H13N5O3	239.101839	NA	MeJP	NA	NA
+MetaCyc02183	6-lactoyl-5,6,7,8-tetrahydropterin []	C9H13N5O3	239.101839	NA	metacyc	NA	NA
+MetaCyc02184	dihydrobiopterin [q-BH2;L-erythro-dihydrobiopterin;L-erythro-q-dihydrobiopterin;biopterin;P-quinonoid-dihydrobiopterin;7,8-di-H-biopterin;7,8-dihydrobiopterin;(6R)-6-(L-erythro-1,2-dihydroxypropyl)-7,8-dihydro-6H-pterin;]	C9H13N5O3	239.101839	6779-87-9	metacyc	NA	NA
+HMDB00038	Dihydrobiopterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB00038	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02215	4a-Carbinolamine tetrahydrobiopterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB02215	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00038	Dihydrobiopterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB00038	HMDB	NA	NA
+HMDB02065	6-Lactoyltetrahydropterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB02065	HMDB	NA	NA
+HMDB02215	4a-Carbinolamine tetrahydrobiopterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB02215	HMDB	NA	NA
+HMDB00038	Dihydrobiopterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB00038	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02215	4a-Carbinolamine tetrahydrobiopterin	C9H13N5O3	239.10184	http://www.hmdb.ca/metabolites/HMDB02215	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00038	Dihydrobiopterin	C9H13N5O3	239.10184	HMDB00038	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02065	6-Lactoyltetrahydropterin	C9H13N5O3	239.10184	HMDB02065	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02215	4a-Carbinolamine tetrahydrobiopterin	C9H13N5O3	239.10184	HMDB02215	PFEM_hmdb_metabocards_official	NA	NA
+MJ013345	Anantine, N-De-Me 	C14H13N3O	239.105862	NA	MeJP	NA	NA
+MJ013346	Amfebutamone 	C13H18ClNO	239.107691	NA	MeJP	NA	NA
+MJ013347	Lometraline 	C13H18ClNO	239.107691	NA	MeJP	NA	NA
+MetaCyc02185	bupropion [(-)-2-(tert-butylamino)-3'-chloropropiophenone;1-propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-,(+-)-;(+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone;amfebutamonum;&alpha;-(tert-butylamino)-m-chloropropiophenone;]	C13H18N1O1CL1	239.107692	NA	metacyc	NA	NA
+HMDB01510	Bupropion	C13H18ClNO	239.107697	NA	HMDB2010	NA	NA
+HMDB01510	Bupropion	C13H18ClNO	239.1077	http://www.hmdb.ca/metabolites/HMDB01510	HMDB	NA	NA
+C06860	Bupropion	C13H18ClNO	239.1077	NA	KEGG	NA	NA
+HMDB01510	Bupropion	C13H18ClNO	239.1077	HMDB01510	PFEM_hmdb_metabocards_official	NA	NA
+3992	f(45-48) of bovine lactoferrin 	CIRA	239.111	MH2+	Inhouse_peptide	NA	peptide
+MJ013348	1-(3-Amino-4-hydroxyphenyl)-1,2-propanediol, 4'-Me ether, N-Ac 	C12H17NO4	239.115758	NA	MeJP	NA	NA
+MJ013349	2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid, Et ester 	C12H17NO4	239.115758	NA	MeJP	NA	NA
+MJ013350	3-Hydroxy-4,5-dimethoxyphenethylamine; N-Ac 	C12H17NO4	239.115758	NA	MeJP	NA	NA
+MJ013351	Mescalineyl 	C12H17NO4	239.115758	NA	MeJP	NA	NA
+MJ013352	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N,N,N-Tri-Me, betaine 	C12H18NO4(+)	239.115758	NA	MeJP	NA	NA
+MJ013353	Emorfazone 	C11H17N3O3	239.126991	NA	MeJP	NA	NA
+MJ013354	10-(3-Pyridinyl)-3,5,7,9-decatetraen-2-one, 3-Methyl 	C16H17NO	239.131014	NA	MeJP	NA	NA
+MJ013355	2,4-Undecadiene-8,10-diynoic acid, 2,3-Didehydropiperidide 	C16H17NO	239.131014	NA	MeJP	NA	NA
+MJ013356	3,4,5,6-Tetrahydro-1-phenyl-1H-2,5-benzoxazocine 	C16H17NO	239.131014	NA	MeJP	NA	NA
+MJ013357	6-(1H-Indol-3-yl)-5-methyl-3,5-heptadien-2-one 	C16H17NO	239.131014	NA	MeJP	NA	NA
+MJ013358	12-Isothiocyanato-11-dodecenal 	C13H21NOS	239.134384	NA	MeJP	NA	NA
+MJ013359	Heteromine H; N2,N2-Di-Me 	C10H17N5O2	239.138224	NA	MeJP	NA	NA
+2668	synthetic fr, of human beta-CN (124-127) ACE inhibitor	LHLP	239.139	MH2+	Inhouse_peptide	NA	peptide
+3314	NA	LLPH	239.139	MH2+	Inhouse_peptide	NA	peptide
+C12454	Anatalline	C15H17N3	239.1422	NA	KEGG	NA	NA
+MJ013360	Anabasamine; N-De-Me 	C15H17N3	239.142247	NA	MeJP	NA	NA
+MJ013361	Anatalline 	C15H17N3	239.142247	NA	MeJP	NA	NA
+MJ013362	Tebatizole 	C12H21N3S	239.145618	NA	MeJP	NA	NA
+C07053	Isoetharine	C13H21NO3	239.1521	NA	KEGG	NA	NA
+C10348	Macrophylline	C13H21NO3	239.1521	NA	KEGG	NA	NA
+C11770	R-Salbutamol	C13H21NO3	239.1521	NA	KEGG	NA	NA
+MJ013363	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methylbutanoyl) 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013364	2-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-(3-Methyl-2-butenoyl) 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013365	2-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013366	2-Hydroxy-1-hydroxymethylpyrrolizidine, O2-(3-Methyl-2-butenoyl) 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013367	2-Hydroxy-1-hydroxymethylpyrrolizidine, O2-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013368	3-Tigloyloxytropane; 3?-form, N-Oxide 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013369	7-Hydroxy-1-hydroxymethylpyrrolizidine, O-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013370	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013371	7-Hydroxy-1-hydroxymethylpyrrolizidine, O7-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013372	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-(3-Methyl-2-butenoyl) 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013373	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013374	7-Hydroxy-1-hydroxymethylpyrrolizidine, O7-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013375	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013376	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3-Methyl-2-butenoyl) 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013377	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-Angeloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013378	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-Tigloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013379	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013380	Isoetarine 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013381	Macromerine, Me ether 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013382	Mescaline; N,N-Di-Me 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013383	Moprolol 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+MJ013384	Salbutamol 	C13H21NO3	239.152143	NA	MeJP	NA	NA
+HMDB01937	Salbutamol	C13H21NO3	239.152145	NA	HMDB2010	NA	NA
+HMDB01937	Salbutamol	C13H21NO3	239.15215	http://www.hmdb.ca/metabolites/HMDB01937	HMDB	NA	NA
+HMDB01937	Salbutamol	C13H21NO3	239.15215	HMDB01937	PFEM_hmdb_metabocards_official	NA	NA
+MJ013385	2,2'-Diphenyldiethylamine; N-Me 	C17H21N	239.167399	NA	MeJP	NA	NA
+MJ013386	Benzfetamine 	C17H21N	239.167399	NA	MeJP	NA	NA
+C07538	Benzphetamine	C17H21N	239.1674	NA	KEGG	NA	NA
+MJ013387	2,4-Decadienoic isobutylamide, 6-Hydroxy 	C14H25NO2	239.188529	NA	MeJP	NA	NA
+MJ013388	8,10-Diethyllobelidiol; 3,4-Didehydro, 2'-ketone 	C14H25NO2	239.188529	NA	MeJP	NA	NA
+MJ013389	Calvine 	C14H25NO2	239.188529	NA	MeJP	NA	NA
+MJ013390	Lupinine, Butanoyl 	C14H25NO2	239.188529	NA	MeJP	NA	NA
+MJ013391	3-Butyl-5-propylindolizidine, 3''-Hydroxy 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013392	3-Butyl-5-propylindolizidine, 4'-Hydroxy 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013393	3-Heptyl-5-methylpyrrolizidine, 6'?-Hydroxy 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013394	4-Hydroxy-2-methyl-6-nonylpiperidine, Oxo 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013395	Dendrobates Alkaloid 223C; Hydroxy (?)(1) 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013396	Dendrobates Alkaloid 223C; Hydroxy (?)(2) 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013397	Dendrobates Alkaloid 223D; Hydroxy (?) 	C15H29NO	239.224914	NA	MeJP	NA	NA
+MJ013398	2,5-Dialkylpyrrolidines; 2-Butyl-5-heptylpyrrolidine, N-Me 	C16H33N	239.2613	NA	MeJP	NA	NA
+MJ013399	2-Methyl-6-nonylpiperidine; N-Me 	C16H33N	239.2613	NA	MeJP	NA	NA
+8191	peptide from human milk	HNPI	239.61845	MH2+	Inhouse_peptide	NA	peptide
+8157	ACE inhibitor from b-CN (63-67)	PGPIP	239.6305	MH2+	Inhouse_peptide	NA	peptide
+MJ013400	2-Bromo-4,6-dichlorophenol 	C6H3BrCl2O	239.874432	NA	MeJP	NA	NA
+MJ013401	4-Bromo-2,5-dichlorophenol 	C6H3BrCl2O	239.874432	NA	MeJP	NA	NA
+MetaCyc02186	trimetaphosphate [TMP;]	H3O9P3	239.898991	7785-84-4	metacyc	NA	NA
+C02466	Trimetaphosphate	P3H3O9	239.899	NA	KEGG	NA	NA
+C14310	Picloram	C6H3Cl3N2O2	239.926	NA	KEGG	NA	NA
+MJ013402	Thallium(I) chloride (TlCl) 	ClTl	239.943264	NA	MeJP	NA	NA
+C15226	Thallium chloride	TlCl	239.9433	NA	KEGG	NA	NA
+MetaCyc02187	PbS [galena;lead sulfide;lead monosulfide;plumbous sulfide;lead(2+) sulfide;lead(II) sulfide;]	S1PB1	239.948707	NA	metacyc	NA	NA
+MJ013403	2,4,6-Trichloro-5-methyl-1,3-benzenediol; 3-Me ether 	C8H7Cl3O2	239.951162	NA	MeJP	NA	NA
+MJ013404	7-Bromo-2,4-dihydroxyquinazoline 	C8H5BrN2O2	239.95344	NA	MeJP	NA	NA
+C11160	Tetramethylthioperoxydicarbonic diamide	C6H12N2S4	239.9883	NA	KEGG	NA	NA
+MJ013405	Tetramethylthiuram disulfide 	C6H12N2S4	239.988331	NA	MeJP	NA	NA
+MJ013406	6-Chloro-2-quinoxalinecarboxylic acid; 1,4-Dioxide 	C9H5ClN2O4	239.993784	NA	MeJP	NA	NA
+MJ013407	5-Chloro-3-methylbenzo[b]thiophene-2-acetic acid 	C11H9ClO2S	240.001177	NA	MeJP	NA	NA
+MetaCyc02188	phosphate-ester-of-dihydrofuran []	C6H9O8P1	240.003504	NA	metacyc	NA	NA
+MetaCyc02189	methanofuran biosynththesis intermediate MF3 []	C6H9O8P1	240.003504	NA	metacyc	NA	NA
+C16196	1,2-Dihydroxynaphthalene-6-sulfonate	C10H8O5S	240.0092	NA	KEGG	NA	NA
+CJneg0445	Hydroxyphenyllactic acid [(M-H)+(NaCl)]-	C9H9ClNaO4	240.017125	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0445	Hydroxyphenyllactic acid [(M-H)+(NaCl)]-	C9H9ClNaO4	240.017125	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013408	5-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 6-Me ether 	C11H9ClO4	240.018936	NA	MeJP	NA	NA
+MJ013409	7-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 6-Me ether 	C11H9ClO4	240.018936	NA	MeJP	NA	NA
+MJ013410	8-Chloro-5,7-dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one 	C11H9ClO4	240.018936	NA	MeJP	NA	NA
+MJ013411	8-Hydroxy-3,4-bis(hydroxymethyl)-1H-2-benzopyran-1-one; 1'-Deoxy, 5-chloro 	C11H9ClO4	240.018936	NA	MeJP	NA	NA
+C00491	L-Cystine	C6H12N2O4S2	240.0238	NA	KEGG	NA	NA
+C01420	Cystine	C6H12N2O4S2	240.0238	NA	KEGG	NA	NA
+MJ013412	Cystine 	C6H12N2O4S2	240.023848	NA	MeJP	NA	NA
+MJ013413	L-Cystine 	C6H12N2O4S2	240.023848	NA	MeJP	NA	NA
+MetaCyc02190	cystine [L-cystine;]	C6H12N2O4S2	240.023848	24645-67-8	metacyc	NA	NA
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	HMDB	NA	NA
+HMDB00192	L-Cystine	C6H12N2O4S2	240.023849	NA	HMDB2010	NA	NA
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	Inhouse_PFEM	NA	NA
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	Inhousejuil11	NA	NA
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER060	Cystine	NA	240.023849	RT 1.91 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	http://www.hmdb.ca/metabolites/HMDB00192	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	http://www.hmdb.ca/metabolites/HMDB00192	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	http://www.hmdb.ca/metabolites/HMDB00192	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	http://www.hmdb.ca/metabolites/HMDB00192	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	http://www.hmdb.ca/metabolites/HMDB00192	HMDB	NA	NA
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	Tripeptides  ;SYN:a-Spaglumic acid; Acetyl-a-L-aspartylglutamic acid; Isospaglumic acid; N-(N-Acetylaspartyl)glutamic acid; N-Acetyl-a-L-aspartyl-L-glutamic acid; N-Acetyl-a-aspartylglutamic acid; N-Acetyl-L-aspartyl-L-glutamic acid; NAAG; alpha-Spaglumic acid; Acetyl-alpha-L-aspartylglutamic acid; N-Acetyl-alpha-L-aspartyl-L-glutamic acid; N-Acetyl-alpha-aspartylglutamic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	http://www.hmdb.ca/metabolites/HMDB00192	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00192	L-Cystine	C6H12N2O4S2	240.02385	HMDB00192	PFEM_hmdb_metabocards_official	NA	NA
+MJ013414	1,8-Dichloro-6-chloromethyl-2-methyl-2,6-octadiene 	C10H15Cl3	240.023933	NA	MeJP	NA	NA
+MJ013415	3,5,8-Trichloro-2,6-dimethyl-1,6-octadiene 	C10H15Cl3	240.023933	NA	MeJP	NA	NA
+MJ013416	3,8-Dichloro-6-chloromethyl-2-methyl-1,6-octadiene 	C10H15Cl3	240.023933	NA	MeJP	NA	NA
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR215	Cysteine F5	NA	240.024475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR215	Cysteine F5	NA	240.024475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR215	Cysteine F5	NA	240.024475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR215	Cystéine F5	F5	240.024475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR215	Cysteine F5	NA	240.024475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR215	Cysteine F5	F5	240.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ013417	Thiofuradene 	C8H8N4O3S	240.03171	NA	MeJP	NA	NA
+MJ013418	1,2-Dihydroxyanthraquinone 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MJ013419	1,2-Dihydroxyxanthone; Methylene ether 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MJ013420	1,3-Dihydroxyanthraquinone 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MJ013421	1,4-Dihydroxyanthraquinone 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MJ013422	1,8-Dihydroxyanthraquinone 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MJ013423	2,3-Dihydroxyxanthone; 2,3-Methylene ether 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MJ013424	2-Acetylnaphtho[2,3-b]furan-4,9-dione 	C14H8O4	240.042258	NA	MeJP	NA	NA
+MetaCyc02191	alizarin []	C14H8O4	240.042259	NA	metacyc	NA	NA
+C01474	Alizarin	C14H8O4	240.0423	NA	KEGG	NA	NA
+C10312	Chrysazin	C14H8O4	240.0423	NA	KEGG	NA	NA
+C14267	2,6-Dihydroxyanthraquinone	C14H8O4	240.0423	NA	KEGG	NA	NA
+C11337	Tetramisole hydrochloride	C11H12N2S	240.0488	NA	KEGG	NA	NA
+MJ013425	2-Hydroxy-1-phenazinecarboxylic acid 	C13H8N2O3	240.053492	NA	MeJP	NA	NA
+MJ013426	4-Hydroxy-1-phenazinecarboxylic acid 	C13H8N2O3	240.053492	NA	MeJP	NA	NA
+MJ013427	9-Hydroxy-1-phenazinecarboxylic acid 	C13H8N2O3	240.053492	NA	MeJP	NA	NA
+MJ013428	Doqualast 	C13H8N2O3	240.053492	NA	MeJP	NA	NA
+MJ013429	9-Chloro-p-mentha-1,3,5,8-tetraene-3,10-diol; 8Z-form, 10-Ac 	C12H13ClO3	240.055321	NA	MeJP	NA	NA
+MJ013430	4-Hydroxy-7-[1-hydroxy-2-(methylamino)ethyl]-2(3H)-benzothiazolone 	C10H12N2O3S	240.056862	NA	MeJP	NA	NA
+C10965	Bentazone	C10H12N2O3S	240.0569	NA	KEGG	NA	NA
+C16880	S 1319	C10H12N2O3S	240.0569	NA	KEGG	NA	NA
+MJ013431	2-(4-Fluorophenyl)-1,3-indanedione 	C15H9FO2	240.058657	NA	MeJP	NA	NA
+MJ013432	2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013433	1,3-Dihydro-3,7-dihydroxy-5-methoxy-6-methyl-4-isobenzofurancarboxylic acid 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013434	2-Acetyl-3,4,5-trihydroxybenzeneacetic acid; 4-Me ether 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013435	2-Acetyl-3,4,5-trihydroxybenzeneacetic acid; 5-Me ether 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013436	2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013437	3,4-Dihydro-4,6,7,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one, 7-Me ether 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013438	Cyclopolic acid 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013439	Scytolide 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MJ013440	Thevefolic acid B; 1-Me ester 	C11H12O6	240.063388	NA	MeJP	NA	NA
+MetaCyc02192	2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate [(1S,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate;]	C11H12O6	240.063388	NA	metacyc	NA	NA
+C05817	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate	C11H12O6	240.0634	NA	KEGG	NA	NA
+C05818	2-Demethylmenaquinone	C15H14O2	240.0634	NA	KEGG	NA	NA
+C05819	Menaquinol	C16H18O2	240.0634	NA	KEGG	NA	NA
+MJ013441	Propyl 1-(propylthio)propyl disulfide; 7-Oxide 	C9H20OS3	240.067627	NA	MeJP	NA	NA
+MJ013442	2-(4-Amino-3-methylphenyl)benzothiazole 	C14H12N2S	240.072119	NA	MeJP	NA	NA
+C14302	Dinoseb	C10H12N2O5	240.0746	NA	KEGG	NA	NA
+MJ013443	Clavaminic acid, N-Ac 	C10H12N2O5	240.074621	NA	MeJP	NA	NA
+C10258	Flavidin	C15H12O3	240.0786	NA	KEGG	NA	NA
+C10314	Chrysophanic acid 9-anthrone	C15H12O3	240.0786	NA	KEGG	NA	NA
+C14221	6-Hydroxyflavanone	C15H12O3	240.0786	NA	KEGG	NA	NA
+C14241	4'-Hydroxyflavanone	C15H12O3	240.0786	NA	KEGG	NA	NA
+C14290	7-Hydroxyflavanone	C15H12O3	240.0786	NA	KEGG	NA	NA
+C15204	3'-Hydroxyflavanone	C15H12O3	240.0786	NA	KEGG	NA	NA
+C15570	Dihydroflavonol	C15H12O3	240.0786	NA	KEGG	NA	NA
+FL1C19NS0001	2',4'-Dihydroxychalcone	C15H12O3	240.07864	1776-30-3	knapsack	NA	NA
+FL1C98NS0001	2,2'-Dihydroxychalcone	C15H12O3	240.07864	-	knapsack	NA	NA
+FL1C99NS0002	3,3'-Dihydroxychalcone	C15H12O3	240.07864	142784-23-4	knapsack	NA	NA
+FL1C9ANS0001	4,4'-Dihydroxychalcone	C15H12O3	240.07864	3600-61-1	knapsack	NA	NA
+FL1CHYNS0001	2'-beta-Dihydroxychalcone	C15H12O3	240.07864	39103-33-8	knapsack	NA	NA
+FL2F19NS0001	7-Hydroxyflavanone	C15H12O3	240.07864	6515-36-2	knapsack	NA	NA
+MJ013444	1,8-Dihydroxy-3-methyl-9(10H)-anthracenone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013445	1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013446	13-Oxo-1(10),4(15),5,7(11),8-guaiapentaen-12,6-olide 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013447	2',4'-Dihydroxychalcone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013448	2,3,7-Phenanthrenetriol; 3-Me ether 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013449	2,4'-Dihydroxychalcone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013450	2,4,5-Phenanthrenetriol; 4-Me ether 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013451	2,4,7-Phenanthrenetriol; 2-Me ether 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013452	2,4,7-Phenanthrenetriol; 4-Me ether 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013453	2,4-Dihydroxychalcone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013454	2-Oxo-1(10),3,5,7(11),8-guaiapentaen-12,6-olide 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013455	2-Oxo-1(10),3,5,7(11),8-guaiapentaen-12,8-olide 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013456	3,3'-Dihydroxychalcone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013457	3-Hydroxyflavanone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013458	3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 1-Ac 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013459	4',7-Dihydroxyisoflavene 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013460	4,4'-Dihydroxychalcone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013461	7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, 3'-Ac 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013462	7-Acetyl-8-hydroxy-2-methylnaphtho[1,8-bc]pyran 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013463	7-Hydroxyflavanone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013464	Atractylodin; 9'-Acetoxy 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013465	Dehydro-?-lapachone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013466	Dehydro-?-lapachone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013467	Dehydroiso-?-lapachone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013468	Dunnione, 2',3'-Didehydro 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013469	Flavidin 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013470	Freelingyne 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013471	Mansonone F 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013472	Pterophyllin 1; 2,3-Didehydro 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013473	Thespone 	C15H12O3	240.078644	NA	MeJP	NA	NA
+MJ013474	D-glycero-D-ido-3-Octulose 	C8H16O8	240.084517	NA	MeJP	NA	NA
+MJ013475	D-glycero-D-manno-Octulose 	C8H16O8	240.084517	NA	MeJP	NA	NA
+MJ013476	D-glycero-L-galacto-Octulose 	C8H16O8	240.084517	NA	MeJP	NA	NA
+CJneg0446	Pentose [(2M-H)-(C2H4O2)]-	C8H15O8	240.085025	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0446	Pentose [(2M-H)-(C2H4O2)]-	C8H15O8	240.085025	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14299	Cyanazine	C9H13ClN6	240.089	NA	KEGG	NA	NA
+MJ013477	1,6-Phenazinediol; Di-Me ether 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013478	1-Acetyl-4-methoxy-?-carboline 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013479	1-Acetyl-7-hydroxy-?-carboline; Me ether 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013480	1-Methyl-?-carboline-3-carboxylic acid; Me ester 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013481	4,8-Dihydroxy-1-vinyl-?-carboline; 4-Me ether 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013482	4-Methoxy-1-vinyl-?-carboline; 6-Hydroxy 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013483	?-Carboline-1-carboxylic acid; Et ester 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013484	?-Carboline-1-propanoic acid 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013485	?-Carboline-3-carboxylic acid; Et ester 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013486	Arenarine B; 1'-Ketone 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013487	Fluorodaturatin 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013488	Rolafagrel 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013489	Salicylaldehyde benzoylhydrazone 	C14H12N2O2	240.089877	NA	MeJP	NA	NA
+MJ013490	Buthalital 	C11H16N2O2S	240.093248	NA	MeJP	NA	NA
+CJneg0447	Heptylmalonic acid  [(M+Cl)]- (37Cl)	C10H18Cl037ClO4	240.094825	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0447	Heptylmalonic acid  [(M+Cl)]- (37Cl)	C10H18Cl037ClO4	240.094825	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013491	1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol; 3',4'-Methylene, 2',5'-di-Me ether 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013492	2',3',4',6'-Tetrahydroxyacetophenone; Tetra-Me ether 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013493	3,4,6-Trihydroxy-2-methylbenzoic acid; Tri-Me ether, Me ester 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013494	3-(3,4,5-Trihydroxyphenyl)propanoic acid; Tri-Me ether 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013495	3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013496	4,5,6,7-Tetrahydro-6,7-dihydroxy-3-(2-hydroxybutylidene)-1(3H)-isobenzofuranone 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013497	4-Hexyl-2,5-dihydro-2,5-dioxo-3-furanacetic acid 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013498	Cycloepoxydon 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013499	Pyrenocine A; 2',3'-Dihydro, 3'-methoxy 	C12H16O5	240.099773	NA	MeJP	NA	NA
+MJ013500	2-(Dimethylamino)-5-(1H-indol-3-yl)-4H-imidazol-4-one 	C13H12N4O	240.101111	NA	MeJP	NA	NA
+MJ013501	Aplysinopsin; 2'-N-De-Me 	C13H12N4O	240.101111	NA	MeJP	NA	NA
+MJ013502	Imazodan 	C13H12N4O	240.101111	NA	MeJP	NA	NA
+MJ013503	Oxifungin 	C13H12N4O	240.101111	NA	MeJP	NA	NA
+MJ013504	Quinezamide 	C13H12N4O	240.101111	NA	MeJP	NA	NA
+MJ013505	7-Methyl-2,5-octanediol, 5-Sulfate 	C9H20O5S	240.103144	NA	MeJP	NA	NA
+15	Actomyosin	DLYA	240.1055	MH2+	Inhouse_peptide	NA	peptide
+MJ013506	Norepinephrine, N-(3-Aminopropanoyl) 	C11H16N2O4	240.111007	NA	MeJP	NA	NA
+8021	synthetic peptide	LWY	240.113	MH2+	Inhouse_peptide	NA	peptide
+C09950	Lapachenole	C16H16O2	240.115	NA	KEGG	NA	NA
+C14234	Dimethylstilbestrol	C16H16O2	240.115	NA	KEGG	NA	NA
+C15131	2,5-Dimethoxystilbene	C16H16O2	240.115	NA	KEGG	NA	NA
+C17021	Navenone C	C16H16O2	240.115	NA	KEGG	NA	NA
+C17022	O-Phosphoseryl-tRNA(Cys)	C13H23NO15P2R2	240.115	NA	KEGG	NA	NA
+C17023	Sulfur donor	C13H23NO15P2R2	240.115	NA	KEGG	NA	NA
+MJ013507	1-(4-Ethyl-3,5-dihydroxyphenyl)-2-phenylethylene 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013508	10-(4-Hydroxyphenyl)-3,5,7,9-decatetraen-2-one 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013509	2,3-Bis(4-hydroxyphenyl)-2-butene 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013510	2,4,6,8,10,12,14-Hexadecaheptaenedial 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013511	2,6-Dihydroxy-1,7-dimethylphenanthrene; 9,10-Dihydro 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013512	2-(4-Biphenylyl)butanoic acid 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013513	2-Methyl-3-prenyl-1,4-naphthoquinone 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013514	3,5-Dihydroxystilbene, Di-Me ether 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013515	4'-Methoxyflavan 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013516	4,6-Tetradecadiene-8,10,12-triyn-1-ol, Ac 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013517	Demethylcacalohastine; 3,4-Didehydro, Me ether 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013518	Lapachenol 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013519	Naphthonone 	C16H16O2	240.115029	NA	MeJP	NA	NA
+MJ013520	Obtustyrene 	C16H16O2	240.115029	NA	MeJP	NA	NA
+C00884	Homocarnosine	C10H16N4O3	240.1222	NA	KEGG	NA	NA
+C01262	beta-Alanyl-N(pi)-methyl-L-histidine	C10H16N4O3	240.1222	NA	KEGG	NA	NA
+C04138	N(alpha)-gamma-L-Glutamylhistamine	C10H16N4O3	240.1222	NA	KEGG	NA	NA
+C04141	Phospho-beta-adrenergic receptor	C4H7N2O6PR2	240.1222	NA	KEGG	NA	NA
+C04142	Protein glutamate methyl ester	C7H10N2O4R2	240.1222	NA	KEGG	NA	NA
+C04143	Protein N(omega)-Methyl-L-arginine	C8H15N5O2R2	240.1222	NA	KEGG	NA	NA
+HMDB00194	Anserine	C10H16N4O3	240.122238	NA	HMDB2010	NA	NA
+HMDB00745	Homocarnosine	C10H16N4O3	240.122238	NA	HMDB2010	NA	NA
+HMDB05769	Balenine	C10H16N4O3	240.122238	NA	HMDB2010	NA	NA
+HMDB00194	Anserine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00194	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00194	Anserine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00194	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00194	Anserine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00194	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00194	Anserine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00194	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00194	Anserine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00194	HMDB	NA	NA
+HMDB00745	Homocarnosine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00745	HMDB	NA	NA
+HMDB05769	Balenine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB05769	HMDB	NA	NA
+HMDB00194	Anserine	C10H16N4O3	240.12224	NA  ;SYN:1-Amino-2-carboxybenzene; 2-Aminobenzoate; 2-Aminobenzoic acid; 2-Aminophenylacetate; 2-Aminophenylacetic acid; 2-Carboxyaniline; 2-amino-Benzoate; 2-amino-Benzoic acid; Anthranate; Anthranic acid; Anthranilate; Anthranilic acid; Carboxyaniline; H-2-Abz-OH; Kyselina anthranilova; Kyselina o-aminobenzoova; Ortho-amidobenzoate; Ortho-amidobenzoic acid; Ortho-aminobenzoate; Ortho-aminobenzoic acid; Vitamin L; Vitamin L1; anthranilic acid gr; o-Aminobenzoate; o-Aminobenzoic acid; o-Anthranilate; o-Anthranilic acid; o-Carboxyaniline; o-amino-Benzoate; o-amino-Benzoic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ013521	Anserine 	C10H16N4O3	240.12224	NA	MeJP	NA	NA
+MJ013522	Dimetilan, ESA 	C10H16N4O3	240.12224	NA	MeJP	NA	NA
+MJ013523	Homocarnosine 	C10H16N4O3	240.12224	NA	MeJP	NA	NA
+MJ013524	Ophidine 	C10H16N4O3	240.12224	NA	MeJP	NA	NA
+MJ013525	Homocarnosine 	C10H16N4O3	240.12224	NA	MeJP	NA	NA
+MJ013526	beta-Alanyl-N(pai)-methyl-L-histidine 	C10H16N4O3	240.12224	NA	MeJP	NA	NA
+MetaCyc02193	N-&alpha;-&gamma;-L-glutamylhistamine [N(&alpha;)-&gamma;-L-glutamylhistamine;]	C10H16N4O3	240.12224	NA	metacyc	NA	NA
+MetaCyc02194	anserine [&beta;-alanyl-N&pi;-methyl-L-histidine;]	C10H16N4O3	240.12224	584-85-0	metacyc	NA	NA
+HMDB00194	Anserine	C10H16N4O3	240.12224	http://www.hmdb.ca/metabolites/HMDB00194	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00194	Anserine	C10H16N4O3	240.12224	HMDB00194	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00745	Homocarnosine	C10H16N4O3	240.12224	HMDB00745	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05769	Balenine	C10H16N4O3	240.12224	HMDB05769	PFEM_hmdb_metabocards_official	NA	NA
+MJ013527	3,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-2(1H)-one 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+MJ013528	Ameltolide 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+MJ013529	Antibiotic WS 30581B 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+MJ013530	Benmoxin 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+MJ013531	N,N'-Dibenzylurea 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+MJ013532	Picobenzide 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+MJ013533	Setoclavine, N-De-Me 	C15H16N2O	240.126263	NA	MeJP	NA	NA
+C03305	Prolyl-2-naphthylamide	C15H16N2O	240.1263	NA	KEGG	NA	NA
+C03306	Protein L-isoaspartate	C5H6N2O4R2	240.1263	NA	KEGG	NA	NA
+C11485	LY201116	C15H16N2O	240.1263	NA	KEGG	NA	NA
+MJ013534	2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol 	C9H16N6O2	240.133473	NA	MeJP	NA	NA
+MJ013535	9-Hydroxy-2,8-dimethyl-3-oxo-4,6-undecadienoic acid 	C13H20O4	240.136159	NA	MeJP	NA	NA
+MJ013536	9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4.4]nonane-2-methanol 	C13H20O4	240.136159	NA	MeJP	NA	NA
+MJ013537	Drummondol 	C13H20O4	240.136159	NA	MeJP	NA	NA
+MJ013538	Drummondone A 	C13H20O4	240.136159	NA	MeJP	NA	NA
+MJ013539	Ficuspirolide 	C13H20O4	240.136159	NA	MeJP	NA	NA
+MJ013540	1,4-Dimethyl-1,4-diphenyl-2-tetrazene 	C14H16N4	240.137496	NA	MeJP	NA	NA
+MJ013541	Budralazine 	C14H16N4	240.137496	NA	MeJP	NA	NA
+MJ013542	Imiquimod 	C14H16N4	240.137496	NA	MeJP	NA	NA
+C11716	Mirasan	C13H21ClN2	240.1393	NA	KEGG	NA	NA
+MJ013543	Slaframine 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013544	3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone; N,1''-Dihydroxy 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013545	Alchorneinone 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013546	Flavacol; 1,1''-Dihydroxy 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013547	Flavacol; 1,2''-Dihydroxy 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013548	Hydroxyaspergillic acid 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013549	Pirbuterol 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+MJ013550	Tetrabarbital 	C12H20N2O3	240.147392	NA	MeJP	NA	NA
+C07807	Pirbuterol	C12H20N2O3	240.1474	NA	KEGG	NA	NA
+C07808	Transferred to D00686	C12H20N2O3	240.1474	NA	KEGG	NA	NA
+C08445	Dehydrofalcarinone	C17H20O	240.1514	NA	KEGG	NA	NA
+MJ013551	1,4,8,10,16-Heptadecapentaen-6-yn-3-one 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013552	1,5-Diphenyl-3-pentanol 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013553	1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013554	1,7,9,15-Heptadecatetraene-11,13-diyne, 7,8-Epoxide 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013555	1,8,10,12-Heptadecatetraene-4,6-diyn-3-ol 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013556	1,8,16-Heptadecatriene-4,6-diyn-3-one 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013557	1,9,16-Heptadecatriene-4,6-diyn-3-one 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013558	1-Heptadecene-11,13,15-triyn-8-one 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013559	2,4,8,10,16-Heptadecapentaen-6-yn-1-al 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013560	2,8,10,16-Heptadecatetraene-4,6-diyn-1-ol 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013561	2,8,10-Heptadecatriene-4,6-diyn-1-ol, Aldehyde 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013562	2,9,16-Heptadecatriene-4,6-diynal 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013563	5,7,9,15-Heptadecatetraene-11,13-diyn-4-ol 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013564	7,9,15-Heptadecatriene-11,13-diyn-4-one 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013565	7,9,15-Heptadecatriene-11,13-diynal 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013566	8,10,16-Heptadecatriene-4,6-diyn-3-one 	C17H20O	240.151415	NA	MeJP	NA	NA
+MJ013567	Temofel 	C17H20O	240.151415	NA	MeJP	NA	NA
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	HMDB	NA	NA
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	Inhouse_PFEM	NA	NA
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC025	UNKNOWN signif manip paracetamol	NA	240.1527	RT1.7	PFEM_hmdb_metabocards_official	NA	NA
+MJ013568	Gizzerosine 	C11H20N4O2	240.158625	NA	MeJP	NA	NA
+C09054	Borrerine	C16H20N2	240.1626	NA	KEGG	NA	NA
+MJ013569	6,7-Secoagroclavine; Natural-form 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013570	Borrerine 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013571	Costaclavine 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013572	Festuclavine 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013573	Isoborrerine 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013574	Pheniramine 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013575	Pyroclavine 	C16H20N2	240.162648	NA	MeJP	NA	NA
+MJ013576	6-Chloro-4(15)-eudesmene; 6?-form 	C15H25Cl	240.164478	NA	MeJP	NA	NA
+MJ013577	11-Hydroxy-5-nor-4,5-seco-4,6-amorphanedione 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013578	2,4-Tetradecadienoic acid, 4,5-Epoxide 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013579	3-Oxo-2-pentyl-1-cyclopentanebutanoic acid 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013580	4,11-Dihydroxy-14-nor-10-guaianone 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013581	4,6-Dimethyl-2,4-dodecadienoic acid, 11-Hydroxy 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013582	Chokol A; 1-Ac 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013583	Phoracantholide K 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013584	Putaminoxin B 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013585	Putaminoxin D 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013586	Rishitin M1; 11R,13-Dihydro 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013587	Serricorole 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013588	Sulcatine E 	C14H24O3	240.172544	NA	MeJP	NA	NA
+MJ013589	Cropropamide 	C13H24N2O2	240.183778	NA	MeJP	NA	NA
+MJ013590	Spherophysine; N4'-Ac 	C12H24N4O	240.195011	NA	MeJP	NA	NA
+C17676	Cryptomeridiol	C15H28O2	240.2089	NA	KEGG	NA	NA
+MJ013591	1,10-Farnesadiene-3,7-diol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013592	1,11-Eudesmanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013593	1-Dodecanol; 2-Propenoyl 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013594	1-Elemene-4,11-diol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013595	10,11-Guaianediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013596	10-Bisabolene-7,15-diol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013597	10-Tridecen-1-ol, Ac 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013598	10-Tridecen-2-ol, Ac 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013599	12-Methyl-4-tetradecenoic acid 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013600	13-Methyl-4-tetradecenoic acid 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013601	14-Hydroxy-12,13-dihydrosesquiterpineol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013602	14-Pentadecanolide 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013603	15,5-Farnesanolide 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013604	15-Hydroxypentadecanoic acid; Lactone 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013605	2,10-Farnesadiene-1,7-diol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013606	2,4,6,8-Tetramethyl-2-undecenal, Carboxylic acid 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013607	2-Bisabolene-1,12-diol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013608	3,11-Eudesmanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013609	3,7-Dimethyl-6-octen-1-ol, Pentanoyl 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013610	4,10-Cadinanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013611	4,11-Eudesmanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013612	4,5-Eudesmanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013613	4,6-Eudesmanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013614	4-Pentadecenoic acid 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013615	4-Tridecen-1-ol, Ac 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013616	5,11-Eudesmanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013617	5-Decen-1-ol, 3-Methylbutanoyl 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013618	5-Dodecenoic acid, Isopropyl ester 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013619	7-Dodecenoic acid, Isopropyl ester 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013620	8,11-Drimanediol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013621	8-Tetradecen-1-ol, Formyl 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013622	8-Tridecen-1-ol, Ac 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013623	9-Dodecen-1-ol, Propanoyl 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013624	9-Dodecenoic acid, Isopropyl ester 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013625	9-Oxo-15-bisabolanol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013626	9-Tetradecen-1-ol, Formyl 	C15H28O2	240.20893	NA	MeJP	NA	NA
+MJ013627	Cyclonerodiol 	C15H28O2	240.20893	NA	MeJP	NA	NA
+C00517	Hexadecanal	C16H32O	240.2453	NA	KEGG	NA	NA
+C00518	Hyaluronate	C16H32O	240.2453	NA	KEGG	NA	NA
+C14499	1,2-Epoxyhexadecane	C16H32O	240.2453	NA	KEGG	NA	NA
+MJ013628	Hexadecanal 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013629	11-Hexadecen-1-ol 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013630	14-Methyl-3-pentadecanone 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013631	2-Hexadecanone 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013632	3-Hexadecanone 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013633	7-Hexadecen-1-ol 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013634	9-Hexadecen-1-ol 	C16H32O	240.245315	NA	MeJP	NA	NA
+MJ013635	Hexadecanal 	C16H32O	240.245315	NA	MeJP	NA	NA
+HMDB01551	Palmitaldehyde	C16H32O	240.245316	NA	HMDB2010	NA	NA
+MetaCyc02195	palmitaldehyde [palmitoyl aldehyde;palmitaldehyde;hexadecanal;]	C16H32O1	240.245316	629-80-1	metacyc	NA	NA
+HMDB01551	Palmitaldehyde	C16H32O	240.24532	http://www.hmdb.ca/metabolites/HMDB01551	HMDB	NA	NA
+HMDB01551	Palmitaldehyde	C16H32O	240.24532	HMDB01551	PFEM_hmdb_metabocards_official	NA	NA
+C01816	Heptadecane	C17H36	240.2817	NA	KEGG	NA	NA
+MJ013636	2,6,10-Trimethyltetradecane 	C17H36	240.281701	NA	MeJP	NA	NA
+MJ013637	3,6,10-Trimethyltetradecane 	C17H36	240.281701	NA	MeJP	NA	NA
+MJ013638	5,9-Dimethylpentadecane 	C17H36	240.281701	NA	MeJP	NA	NA
+MJ013639	Heptadecane 	C17H36	240.281701	NA	MeJP	NA	NA
+MetaCyc02196	heptadecane []	C17H36	240.281701	629-78-7	metacyc	NA	NA
+3089	gluten B4 exorphin	YGGW	240.592	MH2+	Inhouse_peptide	NA	peptide
+7930	synthetic peptide	HYY	240.592	MH2+	Inhouse_peptide	NA	peptide
+7933	synthetic peptide	YHY	240.592	MH2+	Inhouse_peptide	NA	peptide
+7936	synthetic peptide	YYH	240.592	MH2+	Inhouse_peptide	NA	peptide
+3818	ileum contracting peptide	PLPR	240.6445	MH2+	Inhouse_peptide	NA	peptide
+MJ013640	Aquabislactatocopper(II) 	C6H10CuO6	240.977339	NA	MeJP	NA	NA
+MJ013641	Cassipoureamide B 	C6H11NO3S3	240.990105	NA	MeJP	NA	NA
+MJ013642	5-(2-Pyridinylsulfonyl)-2-thiazolamine 	C8H7N3O2S2	240.997967	NA	MeJP	NA	NA
+HMDB06512	3-Mercaptolactate-cysteine disulfide	C6H11NO5S2	241.007858	NA	HMDB2010	NA	NA
+HMDB06512	3-mercaptolactate-cysteine disulfide	C6H11NO5S2	241.00786	http://www.hmdb.ca/metabolites/HMDB06512	HMDB	NA	NA
+HMDB06512	3-mercaptolactate-cysteine disulfide	C6H11NO5S2	241.00786	HMDB06512	PFEM_hmdb_metabocards_official	NA	NA
+JH178	Glucosamine 6-phosphate [M+H-H20]+	NA	241.0346	1.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH178	Glucosamine 6-phosphate [M+H-H20]+	NA	241.0346	1.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH178	Glucosamine 6-phosphate [M+H-H20]+	NA	241.0346	1.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH178	Glucosamine 6-phosphate [M+H-H20]+	NA	241.0346	1.21	Inhousejuil11	NA	NA
+MJ013643	Tenosiprol 	C10H11NO4S	241.040878	NA	MeJP	NA	NA
+CJneg0448	Cinnamoylglycine [(M+Cl)]-	C11H11ClNO3	241.051125	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0448	Cinnamoylglycine [(M+Cl)]-	C11H11ClNO3	241.051125	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C04204	N-(2,3-Dihydroxybenzoyl)-L-serine	C10H11NO6	241.0586	NA	KEGG	NA	NA
+MJ013644	2-Hydroxy-3-(3-hydroxy-4-nitrophenyl)propanoic acid, Me ester 	C10H11NO6	241.058637	NA	MeJP	NA	NA
+MJ013645	Enaminomycin B 	C10H11NO6	241.058637	NA	MeJP	NA	NA
+MetaCyc02197	N-23-dihydroxybenzoyl-L-serine []	C10H11N1O6	241.058637	NA	metacyc	NA	NA
+MetaCyc02198	2,3-dihydroxybenzoylserine [N-(2,3-dihydroxybenzoyl)-L-serine;2-(2,3-dihydroxybenzoyl)amino-3-hydroxy-propanoic acid;]	C10H11N1O6	241.058637	NA	metacyc	NA	NA
+CJneg0449	?-hydroxyhippuric acid [(M-H)+(HCOOH)]-	C10H10NO6	241.059225	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0449	?-hydroxyhippuric acid [(M-H)+(HCOOH)]-	C10H10NO6	241.059225	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07451	Moxonidine	C9H12ClN5O	241.073	NA	KEGG	NA	NA
+MJ013646	Moxonidine 	C9H12ClN5O	241.073037	NA	MeJP	NA	NA
+MJ013647	1,3-Dihydroxyacridone; 10-Me 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013648	1,3-Dihydroxyacridone; 3-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013649	1,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 1-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013650	1,7-Dihydroxyacridone; N-Me 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013651	1,8-Dihydroxyacridone; N-Me 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013652	1-Hydroxy-6-methoxy-9H-carbazole-3-carboxaldehyde 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013653	1-Methoxy-9H-carbazole-3-carboxylic acid 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013654	2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 7-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013655	2,8-Dihydroxy-9H-carbazole-3-carboxaldehyde; 8-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013656	2-Benzamidobenzoic acid 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013657	2-Hydroxy-9H-carbazole-3-carboxylic acid; Me ester 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013658	3,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013659	5,6-Dihydro-1H,4H-acenaphtho[1,8a-c]pyrrole-1,3,10(2H,10aH)-trione 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013660	6,7-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 6-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013661	7,8-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 7-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013662	7,8-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013663	7-Hydroxy-9H-carbazole-3-carboxylic acid; Me ester 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013664	7-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013665	8,9-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013666	8,9-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 9-Me ether 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013667	Koeniginequinone A 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MJ013668	Lansine 	C14H11NO3	241.073893	NA	MeJP	NA	NA
+MetaCyc02199	N-Benzoylanthranilate []	C14H11N1O3	241.073893	579-93-1	metacyc	NA	NA
+MetaCyc02200	1,3-dihydroxy-N-methylacridone []	C14H11N1O3	241.073893	NA	metacyc	NA	NA
+C03141	N-Benzoylanthranilate	C14H11NO3	241.0739	NA	KEGG	NA	NA
+C12093	1,3-Dihydroxy-N-methylacridone	C14H11NO3	241.0739	NA	KEGG	NA	NA
+C13630	7-Ethoxyresorufin	C14H11NO3	241.0739	NA	KEGG	NA	NA
+C15268	trans-2-(4-Nitrophenyl)-3-phenyloxirane	C14H11NO3	241.0739	NA	KEGG	NA	NA
+MJ013669	7-Methoxy-?-carboline-1-carboxylic acid; Amide 	C13H11N3O2	241.085126	NA	MeJP	NA	NA
+MJ013670	Dipodazine 	C13H11N3O2	241.085126	NA	MeJP	NA	NA
+MJ013671	Salinazid 	C13H11N3O2	241.085126	NA	MeJP	NA	NA
+CJneg0450	Pentose [(2M-H)-(C2H4O2)]- (13C)	C713CH15O8	241.088425	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0450	Pentose [(2M-H)-(C2H4O2)]- (13C)	C713CH15O8	241.088425	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013672	O,O-Diethyl S-(2-dimethylaminoethyl) phosphorothioate 	C8H20NO3PS	241.09015	NA	MeJP	NA	NA
+CJpos0603	Pantothenic acid [(M+Na)]+	C9H17NNaO5	241.092075	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0603	Pantothenic acid [(M+Na)]+	C9H17NNaO5	241.092075	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+JH155	Pantothenic acid [M+Na]+	NA	241.0925	6.63	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH155	Pantothenic acid [M+Na]+	NA	241.0925	6.63	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH155	Pantothenic acid [M+Na]+	NA	241.0925	6.63	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH155	Pantothenic acid [M+Na]+	NA	241.0925	6.63	Inhousejuil11	NA	NA
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR342	Acide pantothenique F2	NA	241.094875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR342	Acide pantothenique F2	NA	241.094875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR342	Acide pantothenique F2	NA	241.094875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR342	Acide pantothenique F2	NA	241.094875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR342	pantothenic acid F2	F2	241.094875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ013673	Guaifenesin, 1-Carbamate 	C11H15NO5	241.095022	NA	MeJP	NA	NA
+MJ013674	6-O-Benzylguanine 	C12H11N5O	241.096359	NA	MeJP	NA	NA
+MJ013675	Adenine; 6N-(3-Hydroxybenzyl) 	C12H11N5O	241.096359	NA	MeJP	NA	NA
+MJ013676	Peldesine 	C12H11N5O	241.096359	NA	MeJP	NA	NA
+MJ013677	Pelrinone 	C12H11N5O	241.096359	NA	MeJP	NA	NA
+MJ013678	2'-Deoxy-5-methylcytidine 	C10H15N3O4	241.106255	NA	MeJP	NA	NA
+MJ013679	2'-Deoxycytidine; 3N-Me 	C10H15N3O4	241.106255	NA	MeJP	NA	NA
+MJ013680	5'-Amino-5'-deoxythymidine 	C10H15N3O4	241.106255	NA	MeJP	NA	NA
+MJ013681	Carbodine 	C10H15N3O4	241.106255	NA	MeJP	NA	NA
+HMDB02224	5-Methyldeoxycytidine	C10H15N3O4	241.10626	http://www.hmdb.ca/metabolites/HMDB02224	HMDB	NA	NA
+HMDB02224	5-Methyldeoxycytidine	C10H15N3O4	241.10626	HMDB02224	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02224	5-Methyldeoxycytidine	C10H15N3O4	241.106262	NA	HMDB2010	NA	NA
+C03592	5-Methyl-2'-deoxycytidine	C10H15N3O4	241.1063	NA	KEGG	NA	NA
+MJ013682	1,2-Dimethyl-3,4-dihydroxycarbazole; 3-Me ether 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013683	1,6-Dihydroxy-3-methyl-9H-carbazole; Di-Me ether 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013684	1,7-Dihydroxy-6-methyl-9H-carbazole; Di-Me ether 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013685	2,6-Dihydroxy-3-methyl-9H-carbazole; Di-Me ether 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013686	2-Amino-1-phenylethanol, O-Benzoyl 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013687	2-Amino-1-phenylethanol, N-Benzoyl 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013688	2-Amino-1-phenylethanol, O-Benzoyl 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013689	4-(2-Aminoethyl)phenol; N-Benzoyl 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013690	5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013691	Antibiotic TMC 120A 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013692	Araliopsine, 1'-Deoxy, 1',2'-didehydro 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013693	Enfenamic acid 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013694	Flindersine; N-Me 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013695	Glycocitlone A; 3'-Deoxy, 3',4'-didehydro, N-de-Me 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013696	Mefenamic acid 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013697	N-(1-Hydroxyethyl)benzanilide 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013698	Nafoxadol 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+MJ013699	Sediendione 	C15H15NO2	241.110278	NA	MeJP	NA	NA
+C02168	Mefenamic acid	C15H15NO2	241.1103	NA	KEGG	NA	NA
+C10731	N-Methylflindersine	C15H15NO2	241.1103	NA	KEGG	NA	NA
+C14902	6-(1,2,3,4-Tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone	C15H15NO2	241.1103	NA	KEGG	NA	NA
+MJ013700	Planchonelline 	C12H19NO2S	241.113649	NA	MeJP	NA	NA
+MJ013701	Tetrahydrobiopterin 	C9H15N5O3	241.117489	NA	MeJP	NA	NA
+MetaCyc02201	tetrahydrobiopterin [phenylalanine hydroxylase cofactor;5,6,7,8-erythro-tetrahydrobiopterin;5,6,7,8-tetrahydrobiopterin;5,6,7,8-tetra-H-biopterin;tetra-H-biopterin;tetra-hydro-biopterin;]	C9H15N5O3	241.117489	17528-72-2	metacyc	NA	NA
+HMDB00027	Tetrahydrobiopterin	C9H15N5O3	241.11749	http://www.hmdb.ca/metabolites/HMDB00027	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00787	Sapropterin	C9H15N5O3	241.11749	http://www.hmdb.ca/metabolites/HMDB00787	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00027	Tetrahydrobiopterin	C9H15N5O3	241.11749	http://www.hmdb.ca/metabolites/HMDB00027	HMDB	NA	NA
+HMDB00787	Sapropterin	C9H15N5O3	241.11749	http://www.hmdb.ca/metabolites/HMDB00787	HMDB	NA	NA
+HMDB00027	Tetrahydrobiopterin	C9H15N5O3	241.11749	http://www.hmdb.ca/metabolites/HMDB00027	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00787	Sapropterin	C9H15N5O3	241.11749	http://www.hmdb.ca/metabolites/HMDB00787	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00027	Tetrahydrobiopterin	C9H15N5O3	241.11749	HMDB00027	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00787	Sapropterin	C9H15N5O3	241.11749	HMDB00787	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00027	Tetrahydrobiopterin	C9H15N5O3	241.117493	NA	HMDB2010	NA	NA
+HMDB00787	Sapropterin	C9H15N5O3	241.117493	NA	HMDB2010	NA	NA
+C00272	Tetrahydrobiopterin	C9H15N5O3	241.1175	NA	KEGG	NA	NA
+C04291	4-(Dimethylamino)phenylazoxybenzene	C14H15N3O	241.1215	NA	KEGG	NA	NA
+C04292	5'-Phosphonucleoside 3'-diphosphate	C5H12O13P3R	241.1215	NA	KEGG	NA	NA
+C13675	CX-516	C14H15N3O	241.1215	NA	KEGG	NA	NA
+MJ013702	1-(6-Quinoxalinylcarbonyl)piperidine 	C14H15N3O	241.121512	NA	MeJP	NA	NA
+MJ013703	N?-Cinnamoylhistamine 	C14H15N3O	241.121512	NA	MeJP	NA	NA
+MetaCyc02202	4-(dimethylamino)phenylazoxybenzene []	C14H15N3O1	241.121512	NA	metacyc	NA	NA
+HMDB12227	Erythrohydrobupropion	C13H20ClNO	241.123337	NA	HMDB2010	NA	NA
+MetaCyc02203	threohydrobupropion []	C13H20N1O1CL1	241.123342	NA	metacyc	NA	NA
+MetaCyc02204	erythrohydrobupropion []	C13H20N1O1CL1	241.123342	NA	metacyc	NA	NA
+3041	inhibitor of fibrinogen and thrombin coagulation	GPRGP	241.1235	MH2+	Inhouse_peptide	NA	peptide
+C11841	N-(3-Oxooctanoyl)homoserine lactone	C12H19NO4	241.1314	NA	KEGG	NA	NA
+MJ013704	2-Hydroxybenzoic acid; Choline ester 	C12H19NO4	241.131408	NA	MeJP	NA	NA
+MJ013705	Parvistemoamide 	C12H19NO4	241.131408	NA	MeJP	NA	NA
+MJ013706	2,4-Undecadiene-8,10-diynoic acid, Piperidide 	C16H19NO	241.146664	NA	MeJP	NA	NA
+MJ013707	2-Heptyl-4-hydroxyquinoline; 1',2'-Didehydro 	C16H19NO	241.146664	NA	MeJP	NA	NA
+MJ013708	2-Heptyl-4-hydroxyquinoline; 4',5'-Didehydro 	C16H19NO	241.146664	NA	MeJP	NA	NA
+MJ013709	Litoxetine 	C16H19NO	241.146664	NA	MeJP	NA	NA
+MJ013710	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3-Methylbutanoyl) 	C13H23NO3	241.167793	NA	MeJP	NA	NA
+C10869	Valeroidine	C13H23NO3	241.1678	NA	KEGG	NA	NA
+MJ013711	Mantella Alkaloid 241F 	C17H23N	241.183049	NA	MeJP	NA	NA
+C11788	N-Methyl morphinan	C17H23N	241.1831	NA	KEGG	NA	NA
+MJ013712	8,10-Diethyllobelidiol; 3,4-Didehydro 	C14H27NO2	241.204179	NA	MeJP	NA	NA
+MJ013713	8,10-Diethyllobelidiol; Monoketone 	C14H27NO2	241.204179	NA	MeJP	NA	NA
+MJ013714	4-Hydroxy-2-methyl-6-nonylpiperidine 	C15H31NO	241.240564	NA	MeJP	NA	NA
+MJ013715	6-Tridecylamine, N-Ac 	C15H31NO	241.240564	NA	MeJP	NA	NA
+MJ013716	Octapinol 	C15H31NO	241.240564	NA	MeJP	NA	NA
+MJ013717	1-Hexadecylamine 	C16H35N	241.27695	NA	MeJP	NA	NA
+HMDB04118	Antimony	Sb2	241.80763	http://www.hmdb.ca/metabolites/HMDB04118	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04118	Antimony	Sb2	241.80763	http://www.hmdb.ca/metabolites/HMDB04118	HMDB	NA	NA
+HMDB04118	Antimony	Sb2	241.80763	http://www.hmdb.ca/metabolites/HMDB04118	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04118	Antimony	Sb2	241.80763	HMDB04118	PFEM_hmdb_metabocards_official	NA	NA
+MJ013718	Dixanthogen 	C6H10O2S4	241.956362	NA	MeJP	NA	NA
+MJ013719	5-Bromo-4,7-dihydroxy-1-indanone 	C9H7BrO3	241.957856	NA	MeJP	NA	NA
+MJ013720	Aldisin; 2-Bromo 	C8H7BrN2O2	241.96909	NA	MeJP	NA	NA
+C17389	Zinc lactate	C6H10O6Zn	241.9769	NA	KEGG	NA	NA
+C17390	Polybutene	C6H10O6Zn	241.9769	NA	KEGG	NA	NA
+MJ013721	3-[5-(2-Thienylethynyl)-2-thienyl]-2-propyn-1-ol; Aldehyde 	C13H6OS2	241.986006	NA	MeJP	NA	NA
+MetaCyc02205	2,3-diketo-5-methylthio-1-phosphopentane [DKM-1-P;1-phospho-2,3-diketo-5-methylthiopentane;1-phosphoryloxy-2,3-diketo-5-methylthiopentane;]	C6H11O6P1S1	242.001395	NA	metacyc	NA	NA
+MetaCyc02206	2-hydroxy-3-keto-5-methylthio-1-phosphopentene [1-phosphoryloxyl-2-hydroxy-3-keto-5-methylthiopentene;]	C6H11O6P1S1	242.001395	NA	metacyc	NA	NA
+C15650	2,3-Diketo-5-methylthiopentyl-1-phosphate	C6H11O6PS	242.0014	NA	KEGG	NA	NA
+C15651	2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate	C6H11O6PS	242.0014	NA	KEGG	NA	NA
+MJ013722	Aureothricin 	C9H10N2O2S2	242.018368	NA	MeJP	NA	NA
+HMDB01125	Inositol cyclic phosphate	C6H11O8P	242.01915	http://www.hmdb.ca/metabolites/HMDB01125	HMDB	NA	NA
+HMDB01125	Inositol cyclic phosphate	C6H11O8P	242.01915	HMDB01125	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01125	Inositol cyclic phosphate	C6H11O8P	242.01915	NA	HMDB2010	NA	NA
+MetaCyc02207	D-myo-inositol 1,2-cyclic phosphate [1D-myo-inositol 1,2-cyclic phosphate;]	C6H11O8P1	242.019154	43119-57-9	metacyc	NA	NA
+C04299	D-myo-Inositol 1,2-cyclic phosphate	C6H11O8P	242.0192	NA	KEGG	NA	NA
+C16848	6-Deoxy-5-ketofructose 1-phosphate	C6H11O8P	242.0192	NA	KEGG	NA	NA
+C14081	CBS 113A	C10H10N2OS	242.0281	NA	KEGG	NA	NA
+C04111	3-(Phosphoacetylamido)-L-alanine	C5H11N2O7P	242.0304	NA	KEGG	NA	NA
+MJ013723	Mitozolomide 	C7H7ClN6O2	242.031901	NA	MeJP	NA	NA
+MJ013724	3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 4?-Chloro, 6-Me ether 	C11H11ClO4	242.034586	NA	MeJP	NA	NA
+MJ013725	5-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether 	C11H11ClO4	242.034586	NA	MeJP	NA	NA
+MJ013726	7-Chloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether 	C11H11ClO4	242.034586	NA	MeJP	NA	NA
+HMDB06907	2-Acyl-sn-glycero-3-phosphoethanolamine	C6H13NO7P	242.04295	http://www.hmdb.ca/metabolites/HMDB06907	HMDB	NA	NA
+HMDB06908	1-Acyl-sn-glycero-3-phosphoethanolamine	C6H13NO7P	242.04295	http://www.hmdb.ca/metabolites/HMDB06908	HMDB	NA	NA
+HMDB06907	2-Acyl-sn-glycero-3-phosphoethanolamine	C6H13NO7P	242.04295	HMDB06907	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06908	1-Acyl-sn-glycero-3-phosphoethanolamine	C6H13NO7P	242.04295	HMDB06908	PFEM_hmdb_metabocards_official	NA	NA
+C14585	4-Chlorochalcone	C15H11ClO	242.0498	NA	KEGG	NA	NA
+MJ013727	2'-Deoxyuridine; 5'-Carboxylic acid 	C9H10N2O6	242.053886	NA	MeJP	NA	NA
+C06855	Bretylium	C11H17BrN	242.0544	NA	KEGG	NA	NA
+CJneg0451	Cinnamoylglycine [(M+Cl)]- (13C)	C1013CH11ClNO3	242.054525	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0451	Cinnamoylglycine [(M+Cl)]- (13C)	C1013CH11ClNO3	242.054525	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013728	Isobutyropyrrothine 	C10H14N2OS2	242.054754	NA	MeJP	NA	NA
+C10322	Cyperaquinone	C14H10O4	242.0579	NA	KEGG	NA	NA
+C11425	2-Hydroxy-2H-benzo[h]chromene-2-carboxylate	C14H10O4	242.0579	NA	KEGG	NA	NA
+C11426	cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate	C14H10O4	242.0579	NA	KEGG	NA	NA
+C16209	3-(2-Carboxyvinyl)naphthalene-2-carboxylic acid	C14H10O4	242.0579	NA	KEGG	NA	NA
+C16210	4-(3-Hydroxy-2-naphthyl)-2-oxobut-3-enoic acid	C14H10O4	242.0579	NA	KEGG	NA	NA
+FLII1ANS0002	6,2'4'-Trihydroxy-2-phenylbenzofuran;2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran	C14H10O4	242.0579	67736-22-5	knapsack	NA	NA
+MJ013729	1,2-Dihydroxyxanthone; 1-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013730	1,2-Dihydroxyxanthone; 2-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013731	1,5-Dihydroxyxanthone; 1-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013732	1,5-Dihydroxyxanthone; 5-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013733	1,7-Dihydroxy-3-methylxanthone 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013734	1,7-Dihydroxyxanthone; 1-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013735	1,7-Dihydroxyxanthone; 7-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013736	2,3-Dihydroxyxanthone; 2-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013737	2,3-Dihydroxyxanthone; 3-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013738	2,4,5,6-Phenanthrenetetrol 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013739	2,4,5-Trihydroxy-9H-fluoren-9-one; 4-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013740	2,5-Dihydroxyxanthone; 2-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013741	2,5-Dihydroxyxanthone; 5-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013742	2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013743	2-(3,5-Dihydroxyphenyl)-6-hydroxybenzofuran 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013744	2-Acetylnaphtho[2,3-b]furan-4,9-dione; 1'-Alcohol 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013745	2-Ethylnaphtho[2,3-b]furan-4,9-dione; 5-Hydroxy 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013746	3,4-Dihydroxyxanthone; 4-Me ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013747	3-Hydroxy-2-methyl-2H-naphtho[2,3-b]pyran-5,10-dione 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013748	4,4',5-Trihydroxy-2-biphenylcarboxaldehyde; 4,5-Methylene ether 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013749	4,5-Dihydro-4-hydroxy-5-(9-hydroxy-1,3,5,7-decatetraynyl)-2(3H)-furanone 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013750	6-(3,4-Methylenedioxystyryl)-?-pyrone 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013751	Autumnariol 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013752	Cyperaquinone 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013753	Dibenzoyl peroxide 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013754	Furomollugin 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013755	Maturone 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013756	Microminutinin 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013757	Pterophyllin 4 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013758	Saxicolon 	C14H10O4	242.057908	NA	MeJP	NA	NA
+MJ013759	Citreothiopyran B 	C11H14O4S	242.061279	NA	MeJP	NA	NA
+CJneg0452	?-hydroxyhippuric acid [(M-H)+(HCOOH)]- (13C)	C913CH10NO6	242.062525	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0452	?-hydroxyhippuric acid [(M-H)+(HCOOH)]- (13C)	C913CH10NO6	242.062525	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0454	Threonic acid / Erythronic acid [(2M-H)-(CH2O)]-	C7H13O9	242.064325	C18rt(min)=0.85 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0454	Threonic acid / Erythronic acid [(2M-H)-(CH2O)]-	C7H13O9	242.064325	C18rt(min)=0.85 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013760	2,2-Bis(ethylsulfonyl)butane 	C8H18O4S2	242.06465	NA	MeJP	NA	NA
+MJ013761	Nidroxyzone 	C8H10N4O5	242.065119	NA	MeJP	NA	NA
+CJneg0453	1,7-dimethyluric acid [(M-H)+(HCOOH)]-	C8H9N4O5	242.065625	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0453	1,7-dimethyluric acid [(M-H)+(HCOOH)]-	C8H9N4O5	242.065625	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013762	5-Phosphonooxy-L-lysine 	C6H15N2O6P	242.066772	NA	MeJP	NA	NA
+MJ013763	Threonine ethanolamine phosphate 	C6H15N2O6P	242.066772	NA	MeJP	NA	NA
+MetaCyc02208	5-phosphonooxy-L-lysine []	C6H15N2O6P1	242.066773	NA	metacyc	NA	NA
+C03366	5-Phosphonooxy-L-lysine	C6H15N2O6P	242.0668	NA	KEGG	NA	NA
+C03828	2-Deoxystreptamine phospahte	C6H15N2O6P	242.0668	NA	KEGG	NA	NA
+C03980	2-Deoxystreptamine 4-phosphate	C6H15N2O6P	242.0668	NA	KEGG	NA	NA
+C16743	Phosphoallohydroxy-L-lysine	C6H15N2O6P	242.0668	NA	KEGG	NA	NA
+MJ013764	Clofibric acid; Et ester 	C12H15ClO3	242.070972	NA	MeJP	NA	NA
+MJ013765	Ligustilide; 6,7-Dihydro, 6S-hydroxy, 7?-chloro 	C12H15ClO3	242.070972	NA	MeJP	NA	NA
+C06916	Clofibrate	C12H15ClO3	242.071	NA	KEGG	NA	NA
+MJ013766	Lidimycin 	C10H14N2O3S	242.072513	NA	MeJP	NA	NA
+MJ013767	1,3-Dihydro-4,5,6-trihydroxy-7-methyl-1,3-dimethoxyisobenzofuran 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013768	2,3,4,5-Tetrahydroxybenzoic acid; Tetra-Me ether 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013769	2,3,5,6-Tetrahydroxybenzoic acid; Tetra-Me ether 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013770	4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 1'-O-(2-Butenoyl) 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013771	Butalactin 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013772	Dihydro-3-hydroxy-4-(hydroxymethyl)-2(3H)-furanone, 5-O-(4,5-Epoxy-2-hexenoyl)(E-) 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013773	Elenaic acid 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013774	Genipinic acid 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013775	Gloiosiphone A 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013776	Kingiside; Aglycone 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013777	Lamiophlomiol A 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013778	Multicolic acid 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013779	Scandoside; Aglycone, 6-epimer, Me ester 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013780	Scytolide; 3?,10-Dihydro, 8-epimer 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013781	Zhijiangjunsu 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013782	?-Gardiol 	C11H14O6	242.079038	NA	MeJP	NA	NA
+MJ013783	7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione 	C12H10N4O2	242.080375	NA	MeJP	NA	NA
+MJ013784	Lumichrome 	C12H10N4O2	242.080375	NA	MeJP	NA	NA
+MetaCyc02209	lumichrome [7,8-Dimethylalloxazine;]	C12H10N4O2	242.080376	1086-80-2	metacyc	NA	NA
+C01727	Lumichrome	C12H10N4O2	242.0804	NA	KEGG	NA	NA
+MJ013785	3-Amino-4-chlorobenzoic acid; 2-(Dimethylamino)ethyl ester 	C11H15ClN2O2	242.082205	NA	MeJP	NA	NA
+MJ013786	Iproclozide 	C11H15ClN2O2	242.082205	NA	MeJP	NA	NA
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR446	Flavine Mononucleotide F4	NA	242.084275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR446	Flavine Mononucleotide F4	NA	242.084275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR446	Flavine Mononucleotide F4	NA	242.084275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR446	Flavine Mononucléotide F4	F4	242.084275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR446	Flavine Mononucleotide F4	NA	242.084275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR446	Flavine Mononucleotide F4	F4	242.084275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ013787	2-(5-Aminopentylamino)ethanethiol; S-Phosphate 	C7H19N2O3PS	242.085399	NA	MeJP	NA	NA
+CJpos0604	Thymidine [M+H]+	C10H15O5N2	242.089775	C18rt(min)=1.17 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0604	Thymidine [M+H]+	C10H15O5N2	242.089775	C18rt(min)=1.17 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00273	Thymidine	C10H14N2O5	242.09027	http://www.hmdb.ca/metabolites/HMDB00273	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00273	Thymidine	C10H14N2O5	242.09027	http://www.hmdb.ca/metabolites/HMDB00273	HMDB	NA	NA
+HMDB00273	Thymidine	C10H14N2O5	242.09027	http://www.hmdb.ca/metabolites/HMDB00273	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00273	Thymidine	C10H14N2O5	242.09027	HMDB00273	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00273	Thymidine	C10H14N2O5	242.090271	NA	HMDB2010	NA	NA
+MJ013788	2'-Deoxyuridine; N-Me 	C10H14N2O5	242.090271	NA	MeJP	NA	NA
+MJ013789	Asterionellin A 	C10H14N2O5	242.090271	NA	MeJP	NA	NA
+MJ013790	Thymidine 	C10H14N2O5	242.090271	NA	MeJP	NA	NA
+MetaCyc02210	thymidine [deoxythymidine;]	C10H14N2O5	242.090272	50-89-5	metacyc	NA	NA
+C00214	Thymidine	C10H14N2O5	242.0903	NA	KEGG	NA	NA
+C00215	Nucleotide	C10H14N2O5	242.0903	NA	KEGG	NA	NA
+MJ013791	Pedatisectine A 	C11H10N6O	242.091608	NA	MeJP	NA	NA
+HMDB02209	Equol	C15H14O3	242.09428	http://www.hmdb.ca/metabolites/HMDB02209	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02209	Equol	C15H14O3	242.09428	http://www.hmdb.ca/metabolites/HMDB02209	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02209	Equol	C15H14O3	242.09428	http://www.hmdb.ca/metabolites/HMDB02209	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02209	Equol	C15H14O3	242.09428	http://www.hmdb.ca/metabolites/HMDB02209	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02209	Equol	C15H14O3	242.09428	http://www.hmdb.ca/metabolites/HMDB02209	HMDB	NA	NA
+HMDB02209	Equol	C15H14O3	242.09428	http://www.hmdb.ca/metabolites/HMDB02209	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02209	Equol	C15H14O3	242.09428	HMDB02209	PFEM_hmdb_metabocards_official	NA	NA
+FL1D19NS0001	2',4'-Dihydroxydihydrochalcone	C15H14O3	242.09429	53596-71-7	knapsack	NA	NA
+FL6F1ANS0002	7,4'-Dihydroxyflavan;Cassiaflavan	C15H14O3	242.09429	494-48-4	knapsack	NA	NA
+FL6F1ANS0004	Tupichinol C;(R)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol	C15H14O3	242.09429	118204-66-3	knapsack	NA	NA
+FLIC1ANS0001	Equol;7,4'-Dihydroxyisoflavan	C15H14O3	242.09429	94105-90-5	knapsack	NA	NA
+MJ013792	1-(2,4-Dihydroxyphenyl)-3-phenyl-1-propanone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013793	1-(2,6-Dihydroxyphenyl)-3-phenyl-1-propanone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013794	1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethylene, 3'-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013795	1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethylene; 3-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013796	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013797	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013798	1-Phenyl-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013799	1-Phenyl-2-(3,4,5-trihydroxyphenyl)ethylene; 3-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013800	2',6'-Dihydroxyacetophenone; 2-O-Benzyl 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013801	2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methylbenzofuran 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013802	2,3-Dihydroxy-1,3-diphenyl-1-propanone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013803	2,4,6-Phenanthrenetriol; 9,10-Dihydro, 2-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013804	2,4,7-Phenanthrenetriol; 9,10-Dihydro, 2-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013805	2,4,7-Phenanthrenetriol; 9,10-Dihydro, 4-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013806	2,5,6-Phenanthrenetriol; 9,10-Dihydro, 6-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013807	2-(3-Phenoxyphenyl)propanoic acid 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013808	2-Hydroxy-1-(2-hydroxyphenyl)-3-phenyl-1-propanone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013809	2-Hydroxy-3-prenylnaphthoquinone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013810	2-Hydroxy-4-methoxy-4'-methylbenzophenone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013811	2-Methoxybenzoic acid; Benzyl ester 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013812	2-Oxo-1(10),3,5,7(11)-guaiatetraen-12,8-olide 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013813	2-Prenyl-1,4-naphthoquinone; ?1',2'-Isomer (E-), 3'-hydroxy 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013814	3',7-Dihydroxyisoflavan 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013815	3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 1-Ac 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013816	3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-Ac 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013817	3,4,5-Phenanthrenetriol; 9,10-Dihydro, 3-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013818	3,5-Tridecadiene-7,9,11-triyne-1,2-diol, 1-Ac 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013819	3,5-Tridecadiene-7,9,11-triyne-1,2-diol, 2-Ac 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013820	4',7-Dihydroxyflavan 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013821	4',7-Dihydroxyisoflavan 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013822	5'-(2-Propenyl)-2,2',5-biphenyltriol 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013823	9,10-Dihydro-2,4,5-trihydroxyphenanthrene; 4-Me ether 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013824	?-Lapachone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013825	Bothrioclinin 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013826	Cacalonol 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013827	Cannabispiradienone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013828	Citrubuntin 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013829	Cyclolongipesin 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013830	Dehydroosthol 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013831	Dunnione 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013832	Frutescin 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013833	Mansonone D 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013834	Mansonone F; 11,12-Dihydro 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013835	Pterophyllin 1 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013836	Rhinacanthone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013837	Salpriolactone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013838	Sapriolactone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013839	Viteralone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013840	Xanthorrhoeol 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013841	?-Dunnione 	C15H14O3	242.094294	NA	MeJP	NA	NA
+MJ013842	?-Lapachone 	C15H14O3	242.094294	NA	MeJP	NA	NA
+HMDB02209	Equol	C15H14O3	242.094299	NA	HMDB2010	NA	NA
+C06997	Fenoprofen	C15H14O3	242.0943	NA	KEGG	NA	NA
+C06998	Transferred to D00320	C15H14O3	242.0943	NA	KEGG	NA	NA
+C09641	7,4'-Dihydroxyflavan	C15H14O3	242.0943	NA	KEGG	NA	NA
+C10257	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene	C15H14O3	242.0943	NA	KEGG	NA	NA
+C10261	Hircinol	C15H14O3	242.0943	NA	KEGG	NA	NA
+C10337	Dunnione	C15H14O3	242.0943	NA	KEGG	NA	NA
+C10366	Lapachol	C15H14O3	242.0943	NA	KEGG	NA	NA
+C10367	beta-Lapachone	C15H14O3	242.0943	NA	KEGG	NA	NA
+C13628	4,5-Bisphenol-o-quinone	C15H14O3	242.0943	NA	KEGG	NA	NA
+C14131	Equol	C15H14O3	242.0943	NA	KEGG	NA	NA
+MJ013843	D-erythro-D-galacto-Octitol 	C8H18O8	242.100167	NA	MeJP	NA	NA
+PJ000078	SH 	C9H14N4O4	242.1015	NA	PeJP	NA	NA
+MJ013844	Antibiotic WF 20714 	C9H14N4O4	242.101504	NA	MeJP	NA	NA
+MJ013845	Cytaramin 	C9H14N4O4	242.101504	NA	MeJP	NA	NA
+MJ013846	Molsidomine 	C9H14N4O4	242.101504	NA	MeJP	NA	NA
+MJ013847	1-(2-Hydroxyethyl)-4-methoxy-?-carboline 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013848	2-Amino-1-phenylethanol, N-(3-Pyridinecarbonyl) 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013849	2-Amino-3-pyridinecarboxylic acid; N-(2,3-Dimethylphenyl) 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013850	4,8-Dihydroxy-1-vinyl-?-carboline; 1',2'-Dihydro, 4-Me ether 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013851	6,7-Dihydroxy-1-methyl-?-carboline; Di-Me ether 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013852	Arenarine B 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013853	Isonixin 	C14H14N2O2	242.105527	NA	MeJP	NA	NA
+MJ013854	1-Hydroxy-3-(2-methylpropyl)-6-[2-(methylthio)ethyl]-2(1H)-pyrazinone 	C11H18N2O2S	242.108898	NA	MeJP	NA	NA
+MJ013855	1-Hydroxy-6-(2-methylpropyl)-3-[2-(methylthio)ethyl]-2(1H)-pyrazinone 	C11H18N2O2S	242.108898	NA	MeJP	NA	NA
+MJ013856	6-tert-Butyl-1-hydroxy-3-[2-(methylthio)ethyl]-2(1H)-pyrazinone 	C11H18N2O2S	242.108898	NA	MeJP	NA	NA
+MJ013857	Thiopental 	C11H18N2O2S	242.108898	NA	MeJP	NA	NA
+C07521	Thiopental	C11H18N2O2S	242.1089	NA	KEGG	NA	NA
+MJ013858	Enofelast 	C16H15FO	242.110693	NA	MeJP	NA	NA
+MJ013859	1,2,4-Trimethoxy-5-(1-propenyl)benzene, 1',2'-Dihydro, 1',2'-dihydroxy 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013860	1,7-Dihydroxy-3,7-dimethyl-2,5-octadien-4-one, 7-Hydroxyperoxy, 1-Ac 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013861	1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2',4',5'-Tri-Me ether 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013862	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-Ac 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013863	3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4',5'-Tri-Me ether 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013864	3-Butyl-4,5,6,7-tetrahydro-3,6,7-trihydroxy-1(3H)-isobenzofuranone 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013865	8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013866	Agistatin A 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013867	Antibiotic SEN 366F 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013868	Isosaturejol; 6-Ac 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013869	Mussaenin B 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013870	Pavonisol 	C12H18O5	242.115423	NA	MeJP	NA	NA
+MJ013871	Saturejol; 6-Ac 	C12H18O5	242.115423	NA	MeJP	NA	NA
+C11232	Diphenylcarbazide	C13H14N4O	242.1168	NA	KEGG	NA	NA
+MJ013872	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,3-Di-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013873	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N2,N8-Di-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013874	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N8,1-Di-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013875	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N8,N8-Di-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013876	Paragracine; N2-De-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013877	Pseudozoanthoxin A; 3,N6-Di-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013878	Pseudozoanthoxin A; N6,N6-Di-Me 	C12H14N6	242.127994	NA	MeJP	NA	NA
+MJ013879	1,4-Diphenyl-2,3-butanediol 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013880	1-(3,5-Dihydroxyphenyl)-2-phenylethane; Di-Me ether 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013881	1-(3-Hydroxyphenyl)-2-(4-hydroxyphenyl)ethane; Di-Me ether 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013882	15-Cadalenol; Carboxylic acid, Me ester 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013883	16-Hydroxy-2,8,10-hexadecatriene-4,6-diynal 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013884	2-Ethyl-2-(1-naphalenyl)butanoic acid 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013885	2-Methyl-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-ol 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013886	4,6,12-Tetradecatriene-8,10-diyn-1-ol, Ac 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013887	5-Tetradecene-8,10,12-triyn-1-ol, Ac 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013888	6-Tetradecene-8,10,12-triyn-3-ol; (+)-E-form, Ac 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013889	Cordiachrome A 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013890	Cordiachrome B 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013891	Cordiachrome C 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013892	Culpin 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013893	Demethylcacalohastine; Me ether 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013894	Lapachenol; 3,4-Dihydro 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013895	Leucasone 	C16H18O2	242.130679	NA	MeJP	NA	NA
+MJ013896	Tetrahydro-6-(1,3,9-undecatriene-5,7-diynyl)-2H-pyran-2-ol 	C16H18O2	242.130679	NA	MeJP	NA	NA
+C14225	Bisphenol B	C16H18O2	242.1307	NA	KEGG	NA	NA
+C14898	4,4a,5,6,7,8-Hexahydro-6-(p-hydroxyphenyl)-2(3H)-naphthalenone	C16H18O2	242.1307	NA	KEGG	NA	NA
+C15069	4,4'-(Butane-1,1-diyl)diphenol	C16H18O2	242.1307	NA	KEGG	NA	NA
+C15278	4,4'-(2-Methylpropylidene)bisphenol	C16H18O2	242.1307	NA	KEGG	NA	NA
+MJ013897	1-Mercapto-4-undecen-3-one, S-Ac 	C13H22O2S	242.13405	NA	MeJP	NA	NA
+C09897	Selagine	C15H18N2O	242.1419	NA	KEGG	NA	NA
+MJ013898	1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine, N-Oxide (cis-) 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013899	2-(2-Aminobenzylamino)benzyl alcohol; Me ether 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013900	2-[(2-Butynylmethylamino)methyl]-1-methyl-1H-indol-5-ol 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013901	Chanoclavine I, 10-Epimer, N-de-Me 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013902	Chanoclavine I, N-De-Me 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013903	Huperzine A 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013904	Huperzinine; N,N-Di-de-Me 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013905	Isoprazone 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+MJ013906	Sophoramine; 7,8-Didehydro 	C15H18N2O	242.141913	NA	MeJP	NA	NA
+8199	ACE inhibitor	KAPVA	242.144	MH2+	Inhouse_peptide	NA	peptide
+MJ013907	3,5,6-Trihydroxy-7-megastigmen-9-one 	C13H22O4	242.151809	NA	MeJP	NA	NA
+MJ013908	3-Formyloxiraneoctanoic acid, Et ester 	C13H22O4	242.151809	NA	MeJP	NA	NA
+MJ013909	7-Megastigmene-2,5,6,9-tetrol, 9-Ketone 	C13H22O4	242.151809	NA	MeJP	NA	NA
+MJ013910	Chokolic acid A; Me ester 	C13H22O4	242.151809	NA	MeJP	NA	NA
+MJ013911	Dihydro-4-(hydroxymethyl)-3-(6-methyl-1-oxoheptyl)-2(3H)-furanone 	C13H22O4	242.151809	NA	MeJP	NA	NA
+MJ013912	Bisfentidine 	C14H18N4	242.153146	NA	MeJP	NA	NA
+MJ013913	Mepyrium(1+) 	C14H19N4(+)	242.153146	NA	MeJP	NA	NA
+MJ013914	1,15-Heptadecadiene-11,13-diyn-8-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013915	1,2,4a,9a-Tetrahydro-3-isopropyl-9a-methylxanthene 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013916	1,6,8,10-Heptadecatetraen-4-yn-3-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013917	1,7,9-Heptadecatriene-11,13-diyn-6-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013918	1,8,10-Heptadecatriene-4,6-diyn-3-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013919	1,8,15-Heptadecatriene-11,13-diyne; 8,9-Epoxide 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013920	1,9,11-Heptadecatriene-4,6-diyn-3-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013921	1,9,15-Heptadecatriene-11,13-diyn-8-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013922	1,9,16-Heptadecatriene-4,6-diyn-3-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013923	1,9-Heptadecadiene-4,6-diyn-3-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013924	2,4,8,10,16-Heptadecapentaen-6-yn-1-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013925	2,8,10-Heptadecatriene-4,6-diyn-1-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013926	2,9,16-Heptadecatriene-4,6-diyn-1-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013927	2,9,16-Heptadecatriene-4,6-diyn-8-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013928	3,16-Heptadecadiene-5,7-diyn-2-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013929	4,8,10,14,16-Heptadecapentaen-6-yn-3-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013930	7,9,15-Heptadecatriene-11,13-diyn-1-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013931	8,10,12-Heptadecatriene-4,6-diyn-1-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013932	8,10,14,16-Heptadecatetraen-6-yn-3-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013933	8,10,16-Heptadecatriene-4,6-diyn-3-ol 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013934	8,15-Heptadecadiene-11,13-diynal 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013935	9,16-Heptadecadiene-4,6-diyn-3-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+MJ013936	9,16-Heptadecadiene-4,6-diyn-8-one 	C17H22O	242.167065	NA	MeJP	NA	NA
+C08451	Falcarinone	C17H22O	242.1671	NA	KEGG	NA	NA
+C17716	Dehydrofalcarinol	C17H22O	242.1671	NA	KEGG	NA	NA
+MJ013937	3-(Dimethylaminomethyl)indole; N-(1,1-Dimethyl-2-propenyl) 	C16H22N2	242.178298	NA	MeJP	NA	NA
+MJ013938	Lycodine 	C16H22N2	242.178298	NA	MeJP	NA	NA
+C09876	Lycodine	C16H22N2	242.1783	NA	KEGG	NA	NA
+MJ013939	6-Oxotetradecanoic acid 	C14H26O3	242.188194	NA	MeJP	NA	NA
+MJ013940	8,10-Dihydroxy-5-isopropyl-8-methyl-6-decen-2-one 	C14H26O3	242.188194	NA	MeJP	NA	NA
+MJ013941	Menglytate 	C14H26O3	242.188194	NA	MeJP	NA	NA
+MJ013942	Sulcatine D 	C14H26O3	242.188194	NA	MeJP	NA	NA
+MJ013943	Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one 	C14H26O3	242.188194	NA	MeJP	NA	NA
+HMDB10730	3-Oxotetradecanoic acid	C14H26O3	242.188202	NA	HMDB2010	NA	NA
+C11082	2-N-Undecyltetrahydrothiophene	C15H30S	242.2068	NA	KEGG	NA	NA
+C11083	Assert	C15H30S	242.2068	NA	KEGG	NA	NA
+HMDB00826	Pentadecanoic acid	C15H30O2	242.224579	NA	HMDB2010	NA	NA
+HMDB00826	Pentadecanoic acid	C15H30O2	242.22458	http://www.hmdb.ca/metabolites/HMDB00826	HMDB	NA	NA
+MJ013944	1-Farnesanoic acid 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013945	10-Methyl-1-dodecanol, Ac 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013946	11-Methyltetradecanoic acid 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013947	12-Methyltetradecanoic acid 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013948	13-Methyltetradecanoic acid 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013949	2,4,6,8-Tetramethylundecanoic acid 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013950	2-Dodecanol, Propanoyl 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013951	2-Tridecanol, Ac 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013952	4,6,8-Trimethyl-2-undecanol, Formyl 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013953	7(14)-Farnesene-9,12-diol 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013954	9-Methyl-6-dodecanol; Ac 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013955	Dodecanoic acid; Isopropyl ester 	C15H30O2	242.22458	NA	MeJP	NA	NA
+MJ013956	Pentadecanoic acid 	C15H30O2	242.22458	NA	MeJP	NA	NA
+HMDB00826	Pentadecanoic acid	C15H30O2	242.22458	HMDB00826	PFEM_hmdb_metabocards_official	NA	NA
+C16537	Pentadecanoic acid	C15H30O2	242.2246	NA	KEGG	NA	NA
+C16665	12-Methyltetradecanoic acid	C15H30O2	242.2246	NA	KEGG	NA	NA
+MJ013957	Hexadecanol 	C16H34O	242.260965	NA	MeJP	NA	NA
+MJ013958	1-Hexadecanol 	C16H34O	242.260965	NA	MeJP	NA	NA
+MJ013959	2-Methyl-1-pentadecanol 	C16H34O	242.260965	NA	MeJP	NA	NA
+MJ013960	3,7-Dimethyl-2-tetradecanol 	C16H34O	242.260965	NA	MeJP	NA	NA
+MetaCyc02211	hexadecanol [1-Hexadecanol;Cetyl alcohol;Palmityl alcohol;16-Hexadecanol;]	C16H34O1	242.260966	36653-82-4	metacyc	NA	NA
+HMDB03424	1-Hexadecanol	C16H34O	242.26097	http://www.hmdb.ca/metabolites/HMDB03424	HMDB	NA	NA
+HMDB03424	1-Hexadecanol	C16H34O	242.26097	HMDB03424	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03424	1-Hexadecanol	C16H34O	242.260971	NA	HMDB2010	NA	NA
+C00823	1-Hexadecanol	C16H34O	242.261	NA	KEGG	NA	NA
+MJ013961	Fluopsin C 	C4H8CuN2O2S2	242.932319	NA	MeJP	NA	NA
+MJ013962	3-Cyano-1-(3,5-dichloro-2-hydroxyphenyl)-1-propanone 	C10H7Cl2NO2	242.985383	NA	MeJP	NA	NA
+C10987	N-(3,5-Dichlorophenyl)succinimide	C10H7Cl2NO2	242.9854	NA	KEGG	NA	NA
+MJ013963	Nemazoline 	C10H11Cl2N3	243.033002	NA	MeJP	NA	NA
+MJ013964	2-(Methylthio)-3H-phenoxazin-3-one 	C13H9NO2S	243.035399	NA	MeJP	NA	NA
+MJ013965	Antibiotic SF 2738F 	C12H9N3OS	243.046632	NA	MeJP	NA	NA
+CJneg0455	Cinnamoylglycine [(M+Cl)]- (37Cl)	C11H11Cl037ClNO3	243.048125	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0455	Cinnamoylglycine [(M+Cl)]- (37Cl)	C11H11Cl037ClNO3	243.048125	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ013966	Evomerrine 	C13H9NO4	243.053157	NA	MeJP	NA	NA
+MJ013967	Furo[2,3-b]quinoline-4,6,7-triol; NH-form, 6,7-Methylene ether, N-Me 	C13H9NO4	243.053157	NA	MeJP	NA	NA
+MJ013968	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 6,7-Methylene, 4-Me ether 	C13H9NO4	243.053157	NA	MeJP	NA	NA
+MJ013969	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7,8-Methylene, 4-Me ether 	C13H9NO4	243.053157	NA	MeJP	NA	NA
+MJ013970	Prolifine 	C13H9NO4	243.053157	NA	MeJP	NA	NA
+C10714	Maculine	C13H9NO4	243.0532	NA	KEGG	NA	NA
+MJ013971	Flurocitabine 	C9H10FN3O4	243.065534	NA	MeJP	NA	NA
+CJneg0456	N-Acetylphenylalanine [(M+Cl)]-	C11H13ClNO3	243.066725	C18rt(min)=6.6 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0456	N-Acetylphenylalanine [(M+Cl)]-	C11H13ClNO3	243.066725	C18rt(min)=6.6 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+JH160	N-acetyl-D-glucosamine [M+Na]+	NA	243.0719	1.39	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH160	N-acetyl-D-glucosamine [M+Na]+	NA	243.0719	1.39	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH160	N-acetyl-D-glucosamine [M+Na]+	NA	243.0719	1.39	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH160	N-acetyl-D-glucosamine [M+Na]+	NA	243.0719	1.39	Inhousejuil11	NA	NA
+MJ013972	3-Deazauridine 	C10H13NO6	243.074287	NA	MeJP	NA	NA
+C15045	4-Chloro-[2-(4-Pyridinyl)-1-butenyl]phenol	C15H14ClN	243.0815	NA	KEGG	NA	NA
+3111	adrenocorticotropin hormone fr,:1-4	SYSM	243.0837	MH2+	Inhouse_peptide	NA	peptide
+C00475	Cytidine	C9H13N3O5	243.0855	NA	KEGG	NA	NA
+C02961	Cytosine arabinoside	C9H13N3O5	243.0855	NA	KEGG	NA	NA
+C05711	gamma-Glutamyl-beta-cyanoalanine	C9H13N3O5	243.0855	NA	KEGG	NA	NA
+C05712	Cyanohydrin	C2HNOR2	243.0855	NA	KEGG	NA	NA
+C05713	Cyanoglycoside	C8H11NO6R2	243.0855	NA	KEGG	NA	NA
+MJ013973	Cytidine 	C9H13N3O5	243.08552	NA	MeJP	NA	NA
+MJ013974	gamma-Glutamyl-beta-cyanoalanine 	C9H13N3O5	243.08552	NA	MeJP	NA	NA
+MJ013975	2-Amino-4-hydroxypyrimidine; 1H-form, 1-?-D-Ribopyranosyl 	C9H13N3O5	243.08552	NA	MeJP	NA	NA
+MJ013976	?-Glutamyl-?-cyanoalanine; L-L-form 	C9H13N3O5	243.08552	NA	MeJP	NA	NA
+MJ013977	Cytidine 	C9H13N3O5	243.08552	NA	MeJP	NA	NA
+MJ013978	Cytosine arabinoside; ?-D-Furanose-form 	C9H13N3O5	243.08552	NA	MeJP	NA	NA
+MetaCyc02212	cytidine []	C9H13N3O5	243.085521	65-46-3	metacyc	NA	NA
+HMDB00089	Cytidine	C9H13N3O5	243.085526	NA	HMDB2010	NA	NA
+HMDB00089	Cytidine	C9H13N3O5	243.08553	http://www.hmdb.ca/metabolites/HMDB00089	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00089	Cytidine	C9H13N3O5	243.08553	http://www.hmdb.ca/metabolites/HMDB00089	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00089	Cytidine	C9H13N3O5	243.08553	http://www.hmdb.ca/metabolites/HMDB00089	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00089	Cytidine	C9H13N3O5	243.08553	http://www.hmdb.ca/metabolites/HMDB00089	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00089	Cytidine	C9H13N3O5	243.08553	http://www.hmdb.ca/metabolites/HMDB00089	HMDB	NA	NA
+HMDB00089	Cytidine	C9H13N3O5	243.08553	http://www.hmdb.ca/metabolites/HMDB00089	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00089	Cytidine	C9H13N3O5	243.08553	HMDB00089	PFEM_hmdb_metabocards_official	NA	NA
+MJ013979	Furterene 	C10H9N7O	243.086857	NA	MeJP	NA	NA
+MJ013980	3-Methyl-2-[(2-nonene-4,6,8-trienoyl)amino]butanoic acid 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013981	Alonimid 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013982	Furo[2,3-b]quinoline-4,7-diol; NH-form, 7-Me ether, N-Et 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013983	Furo[2,3-b]quinoline-4,8-diol; OH-form, O4-Et, O8-Me 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013984	Murrayacarine 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013985	Polylongine 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013986	Prangosine 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013987	Pyrenoline A; Demethoxy 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+MJ013988	Vertilecanine A, Me ester 	C14H13NO3	243.089543	NA	MeJP	NA	NA
+CJpos0605	Thymidine [M+H]+ (13C)	C9[13]CH15O5N2	243.093075	C18rt(min)=1.17 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0605	Thymidine [M+H]+ (13C)	C9[13]CH15O5N2	243.093075	C18rt(min)=1.17 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc02213	methoxy-PU [N-(2-methoxy-4-pyridyl)-N'-phenylurea;]	C13H13N3O2	243.100777	NA	metacyc	NA	NA
+MJ013989	Meluadrine 	C12H18ClNO2	243.102606	NA	MeJP	NA	NA
+C01893	Biotin amide	C10H17N3O2S	243.1041	NA	KEGG	NA	NA
+HMDB01458	Biotin amide	C10H17N3O2S	243.104141	NA	HMDB2010	NA	NA
+MetaCyc02214	biotin amide []	C10H17N3O2S1	243.104147	NA	metacyc	NA	NA
+HMDB01458	Biotin amide	C10H17N3O2S	243.10416	http://www.hmdb.ca/metabolites/HMDB01458	HMDB	NA	NA
+HMDB01458	Biotin amide	C10H17N3O2S	243.10416	HMDB01458	PFEM_hmdb_metabocards_official	NA	NA
+MJ013990	Manifaxine 	C12H15F2NO2	243.107085	NA	MeJP	NA	NA
+3342	ACE inhibitor	GPA	243.11	celiac toxic	Inhouse_peptide	NA	peptide
+7837	ACE inhibitor	PQ	243.11	immunomodulating	Inhouse_peptide	NA	peptide
+MetaCyc02215	m-topolin []	C12H13N5O1	243.11201	NA	metacyc	NA	NA
+MetaCyc02216	p-topolin []	C12H13N5O1	243.11201	NA	metacyc	NA	NA
+MetaCyc02217	o-topolin []	C12H13N5O1	243.11201	NA	metacyc	NA	NA
+PJ000079	PQ 	C10H17N3O4	243.1219	NA	PeJP	NA	NA
+C10705	Lemobiline	C15H17NO2	243.1259	NA	KEGG	NA	NA
+MJ013991	1H-Indole-3-carboxylic acid; N-(1,1-Dimethyl-2-propenyl), Me ester 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013992	5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline; 3,4-Dihydro 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013993	Atanine 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013994	Haplafine; N-Me 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013995	Haplofoline; N-Me 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013996	Ifflaiamine 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013997	Lemobiline 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013998	N-[2-(7-Methoxy-1-naphthalenyl)ethyl]acetamide 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ013999	Oligophyline 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ014000	Ravenoline 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+MJ014001	Sceletenone 	C15H17NO2	243.125928	NA	MeJP	NA	NA
+8129	peptide derived from dried bonito	VPSGK	243.1335	MH2+	Inhouse_peptide	NA	peptide
+MJ014002	Frovatriptan 	C14H17N3O	243.137162	NA	MeJP	NA	NA
+7810	ACE inhibitor from anchovy and bonito	KP	243.146	ACE inhibitor	Inhouse_peptide	NA	peptide
+8218	Antioxidative peptide	KP	243.146	NA  ;SYN:(carboxymethyl)-Guanidine; 2-[[Amino(imino)methyl]amino]acetate; 2-[[Amino(imino)methyl]amino]acetic acid; Betacyamine; Betasyamine; Glycocyamine; Guanidineacetate; Guanidineacetic acid; Guanidinoacetate; Guanidinoacetic acid; Guanidoacetate; Guanidoacetic acid; Guanidylacetate; Guanidylacetic acid; Guanyl glycine; N-Amidinoglycine; N-amidino-Glycine; [(aminoiminomethyl)amino]-Acetate; [(aminoiminomethyl)amino]-Acetic acid; a-Guanidinoacetate; a-Guanidinoacetic acid; b-Guanidinoacetate; b-Guanidinoacetic acid; alpha-Guanidinoacetate; alpha-Guanidinoacetic acid; beta-Guanidinoacetate; beta-Guanidinoacetic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+CJpos0606	Tiglylcarnitine 2-ethylacrylylcarnitine [(M+H)]+	C12H22NO4	243.146475	C18rt(min)=5.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0606	Tiglylcarnitine § 2-ethylacrylylcarnitine [(M+H)]+	C12H22NO4	243.146475	C18rt(min)=5.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB02366	Tiglylcarnitine	C12H21NO4	243.14706	http://www.hmdb.ca/metabolites/HMDB02366	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02366	Tiglylcarnitine	C12H21NO4	243.14706	http://www.hmdb.ca/metabolites/HMDB02366	HMDB	NA	NA
+HMDB02366	Tiglylcarnitine	C12H21NO4	243.14706	NA  ;SYN:(+/-)-3-Amino-2-methylpropanoic acid; (+/-)-3-Aminoisobutyric acid; (+/-)-b-Aminoisobutyric acid; 2-Methyl-b-alanine; 3-Aminoisobutanoate; DL-2-Methyl-b-alanine; DL-3-Amino-2-methylpropionic acid; a-Methyl-b-alanine; b-Aminoisobutyric acid; (+/-)-beta-Aminoisobutyric acid; DL-beta-Aminoisobutyric acid; 2-Methyl-beta-alanine; DL-2-Methyl-beta-alanine; alpha-Methyl-beta-alanine; beta-Aminoisobutyric acid; (+/-)-3-Amino-2-methylpropanoate; 3-Aminoisobutanoic acid; dl-3-Aminoisobutyric acid; 3-aminoisobutyric acid; 3-amino-isobutanoic acid; 3-amino-2-methylpropanoic acid; 3-amino-isobutanoate; 3-amino-2-methylpropanoate; 3-aminoisobutyrateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB02366	Tiglylcarnitine	C12H21NO4	243.14706	http://www.hmdb.ca/metabolites/HMDB02366	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02366	Tiglylcarnitine	C12H21NO4	243.14706	HMDB02366	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02366	Tiglylcarnitine	C12H21NO4	243.147064	NA	HMDB2010	NA	NA
+MJ014003	N-Bicyclo[2.2.1]hept-2-yl-9-methyl-9H-purin-6-amine 	C13H17N5	243.148395	NA	MeJP	NA	NA
+PJ000080	PK 	C11H21N3O3	243.1583	NA	PeJP	NA	NA
+C10944	Isobutylphendienamide	C16H21NO	243.1623	NA	KEGG	NA	NA
+MJ014004	2,4-Dodecadiene-8,10-diynoic acid, 2-Methylpropylamide 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014005	2,4-Octadienoic acid, 2-Phenylethylamide 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014006	2,4-Undecadiene-8,10-diynoic acid, 2-Methylbutylamide 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014007	2,4-Undecadiene-8,10-diynoic acid, 3-Methylbutylamide 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014008	2,4-Undecadiene-8,10-diynoic acid, 2-Methylbutylamide 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014009	2-Heptyl-4-hydroxyquinoline 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014010	Dienomycin C 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014011	Morphinan-3-ol 	C16H21NO	243.162314	NA	MeJP	NA	NA
+MJ014012	4-(Cyclopropylmethyl)-3,4,5,6-tetrahydro-2H-1,5-methano-1,4-benzodiazocin-9-amine 	C15H21N3	243.173547	NA	MeJP	NA	NA
+MJ014013	Nazlinin 	C15H21N3	243.173547	NA	MeJP	NA	NA
+MJ014014	8-Tridecen-1-ol, Nitrate 	C13H25NO3	243.183443	NA	MeJP	NA	NA
+MJ014015	1-(1-Phenylcyclohexyl)piperidine 	C17H25N	243.198699	NA	MeJP	NA	NA
+MJ014016	Dendrobates Alkaloid 243A 	C17H25N	243.198699	NA	MeJP	NA	NA
+MJ014017	Mantella Alkaloid 241F; 2',3'-Dihydro 	C17H25N	243.198699	NA	MeJP	NA	NA
+MJ014018	Mantella Alkaloid 241F; 3'',4''-Dihydro 	C17H25N	243.198699	NA	MeJP	NA	NA
+MJ014019	Mantella Alkaloid 243D 	C17H25N	243.198699	NA	MeJP	NA	NA
+C07575	Phencyclidine	C17H25N	243.1987	NA	KEGG	NA	NA
+MJ014020	2-Amino-4-tetradecene-1,3-diol 	C14H29NO2	243.219829	NA	MeJP	NA	NA
+MJ014021	2-Amino-7-tetradecene-1,3-diol 	C14H29NO2	243.219829	NA	MeJP	NA	NA
+MJ014022	3-Amino-12-methyltridecanoic acid 	C14H29NO2	243.219829	NA	MeJP	NA	NA
+MJ014023	8,10-Diethyllobelidiol 	C14H29NO2	243.219829	NA	MeJP	NA	NA
+MJ014024	Spermidine; N'-Hexanoyl 	C13H29N3O	243.231062	NA	MeJP	NA	NA
+MJ014025	3-Amino-1-propanol; Dodecyl ether 	C15H33NO	243.256214	NA	MeJP	NA	NA
+8052	synthetic peptide	PWW	243.605	MH2+	Inhouse_peptide	NA	peptide
+7808	ACE inhibitor from caprine b-Lg	LVRT	243.65	MH2+	Inhouse_peptide	NA	peptide
+MJ014026	Dichloromethylenebisphosphonic acid 	CH4Cl2O6P2	243.886016	NA	MeJP	NA	NA
+C12833	2,3,5-Trichloro-cis,cis-muconate	C6H3Cl3O4	243.9097	NA	KEGG	NA	NA
+MJ014027	4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-(2-Methylpropyl)-1,2,3,5,6-pentathiepane 	C6H12S5	243.954253	NA	MeJP	NA	NA
+MJ014028	2-(Iodomethyl)-1,3-dioxolane-4-methanol 	C5H9IO3	243.959637	NA	MeJP	NA	NA
+MJ014029	2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol; Ketone 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014030	3-[5-(2-Thienylethynyl)-2-thienyl]-2-propyn-1-ol 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014031	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Aldehyde 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014032	Thiarubrin A; 1-Oxide 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014033	Thiarubrin B; 1,2-Epoxy 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014034	Thiarubrin D 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014035	Thiarubrin H 	C13H8OS2	244.001656	NA	MeJP	NA	NA
+MJ014036	3-(4-Hydroxyphenyl)-2-propenoic acid, O-Sulfate 	C9H8O6S	244.004158	NA	MeJP	NA	NA
+MetaCyc02218	phenylarsine oxide [2-(Hydroxypropyl)phenylarsinic acid;]	C9H13O3AS1	244.008066	NA	metacyc	NA	NA
+MJ014037	3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Chloro, 6-hydroxy 	C10H9ClO5	244.013851	NA	MeJP	NA	NA
+MJ014038	4-Chloro-3,4-dihydro-5,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one 	C10H9ClO5	244.013851	NA	MeJP	NA	NA
+MJ014039	Antibiotic WS 80130 	C10H9ClO5	244.013851	NA	MeJP	NA	NA
+MJ014040	Fenmetozole 	C10H10Cl2N2O	244.017018	NA	MeJP	NA	NA
+MetaCyc02219	5-methylthiodeoxyribose-1-phosphate [S5-methyl-5-thio-D-deoxyribose-1-phosphate;5-methylthio-D-deoxyribose-1-phosphate;1-phosphomethylthiodeoxyribose;1-phospho-5-S-methylthiodeoxyribose;1-phospho-5-S-methylthio-&alpha;-D-deoxyribofuranoside;S-methyl-5-thio-&alpha;-D-deoxyribose 1-phosphate;S-methyl-5-thio-D-deoxyribose 1-phosphate;]	C6H13O6P1S1	244.017045	NA	metacyc	NA	NA
+MJ014041	Aganodine 	C9H10Cl2N4	244.028251	NA	MeJP	NA	NA
+MJ014042	Apraclonidine 	C9H10Cl2N4	244.028251	NA	MeJP	NA	NA
+C07668	Apraclonidine	C9H10Cl2N4	244.0283	NA	KEGG	NA	NA
+MetaCyc02220	indole carboxyl thiazole []	C12H8N2O2S1	244.030648	NA	metacyc	NA	NA
+C01099	L-Fuculose 1-phosphate	C6H13O8P	244.0348	NA	KEGG	NA	NA
+C01131	L-Rhamnulose 1-phosphate	C6H13O8P	244.0348	NA	KEGG	NA	NA
+C02985	L-Fucose 1-phosphate	C6H13O8P	244.0348	NA	KEGG	NA	NA
+C02986	L-Glutaminyl-peptide	C7H12N3O4R	244.0348	NA	KEGG	NA	NA
+C02987	L-Glutamyl-tRNA(Glu)	C20H28N6O13PR	244.0348	NA	KEGG	NA	NA
+C02988	L-Histidyl-tRNA(His)	C16H24N3O11PR2	244.0348	NA	KEGG	NA	NA
+C06369	2-Deoxy-D-glucose 6-phosphate	C6H13O8P	244.0348	NA	KEGG	NA	NA
+C06370	alpha-D-Glucuronoside	C6H9O7R	244.0348	NA	KEGG	NA	NA
+MJ014043	L-Fucose 1-phosphate 	C6H13O8P	244.034803	NA	MeJP	NA	NA
+MJ014044	L-Fuculose 1-phosphate 	C6H13O8P	244.034803	NA	MeJP	NA	NA
+MJ014045	L-Rhamnulose 1-phosphate 	C6H13O8P	244.034803	NA	MeJP	NA	NA
+MetaCyc02221	&beta;-L-fucose 1-phosphate [L-Fucose 1-phosphate;&beta;-L-fucose 1-phosphate;6-deoxy-L-galactose 1-phosphate;]	C6H13O8P1	244.034804	526-31-8	metacyc	NA	NA
+MetaCyc02222	2-deoxy-D-glucose 6-phosphate []	C6H13O8P1	244.034804	NA	metacyc	NA	NA
+MetaCyc02223	rhamnulose-1-phosphate [L-rhamnulose-1P;rhamnulose-1-P;L-rhamnulose-1-phosphate;]	C6H13O8P1	244.034804	444-09-7	metacyc	NA	NA
+MetaCyc02224	fuculose-1-phosphate [L-fuculose-1-phosphate;fuculose-1-P;L-fuculose-1-P;]	C6H13O8P1	244.034804	92418-41-2	metacyc	NA	NA
+HMDB01265	Fucose 1-phosphate	C6H13O8P	244.034805	NA	HMDB2010	NA	NA
+HMDB01265	Fucose 1-phosphate	C6H13O8P	244.03481	http://www.hmdb.ca/metabolites/HMDB01265	HMDB	NA	NA
+HMDB01265	Fucose 1-phosphate	C6H13O8P	244.03481	HMDB01265	PFEM_hmdb_metabocards_official	NA	NA
+MJ014046	1,2,5-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014047	1,2,8-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014048	1,3,5-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014049	1,3,7-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014050	1,4,5-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014051	1,4,7-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014052	1,4,8-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014053	1,5,6-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014054	1,6,7-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014055	2,3,4-Trihydroxyxanthone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014056	3,8,10-Trihydroxy-6H-dibenzo[b,d]pyran-6-one 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014057	5,7-Dihydroxynaphtho[2,3-c]furan-4,9-dione; 7-Me ether 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014058	5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 8-Hydroxy, 9-oxo 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014059	Conicaquinone 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MJ014060	Fasciculiferol 	C13H8O5	244.037173	NA	MeJP	NA	NA
+MetaCyc02225	1,3,7-trihydroxyxanthone []	C13H8O5	244.037173	NA	metacyc	NA	NA
+MetaCyc02226	1,3,5-trihydroxyxanthone []	C13H8O5	244.037173	NA	metacyc	NA	NA
+C10065	Gentisein	C13H8O5	244.0372	NA	KEGG	NA	NA
+C10082	Mesuaxanthone B	C13H8O5	244.0372	NA	KEGG	NA	NA
+C10094	1,3,5-Trihydroxyxanthone	C13H8O5	244.0372	NA	KEGG	NA	NA
+MJ014061	2,7-Dimethylthianthrene 	C14H12S2	244.038041	NA	MeJP	NA	NA
+C15629	CGP 52608	C8H12N4OS2	244.0453	NA	KEGG	NA	NA
+MJ014062	3-(Bromomethylene)-8-methoxy-7-methyl-1,6-octadiene 	C11H17BrO	244.046277	NA	MeJP	NA	NA
+MJ014063	6-(Bromomethylene)-3-methoxy-2-methyl-1,7-octadiene 	C11H17BrO	244.046277	NA	MeJP	NA	NA
+MJ014064	1,6-Phenazinediol; 5,10-Dioxide 	C12H8N2O4	244.048406	NA	MeJP	NA	NA
+MJ014065	?-Carboline-1,3,4-trione; 8-Methoxy 	C12H8N2O4	244.048406	NA	MeJP	NA	NA
+MJ014066	Pidotimod 	C9H12N2O4S	244.051777	NA	MeJP	NA	NA
+MJ014067	1-O-Galloylglycerol 	C10H12O7	244.058302	NA	MeJP	NA	NA
+MJ014068	Carnidazole 	C8H12N4O3S	244.06301	NA	MeJP	NA	NA
+CJpos0607	Pseudouridine [(M+H)]+	C9H13N2O6	244.068975	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0607	Pseudouridine [(M+H)]+	C9H13N2O6	244.068975	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR632	Uridine 	[M-H]-	244.0695	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR632	Uridine 	[M-H]-	244.0695	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR632	Uridine 	[M-H]-	244.0695	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR632	Uridine 	[M-H]-	244.0695	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00299	Uridine	C9H12N2O6	244.0695	NA	KEGG	NA	NA
+C02067	Pseudouridine	C9H12N2O6	244.0695	NA	KEGG	NA	NA
+C02068	Pseudonigeran	C9H12N2O6	244.0695	NA	KEGG	NA	NA
+C02069	Putidaredoxin	C9H12N2O6	244.0695	NA	KEGG	NA	NA
+C02072	RNA (poly(C))	C18H25N6O12P	244.0695	NA	KEGG	NA	NA
+C02073	RNA(circular)	C10H16O12P2R2	244.0695	NA	KEGG	NA	NA
+C16745	Spongouridine	C9H12N2O6	244.0695	NA	KEGG	NA	NA
+HMDB00296	Uridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00296	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00767	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00296	Uridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00296	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00767	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00296	Uridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00296	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00767	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00296	Uridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00296	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00767	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00296	Uridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00296	HMDB	NA	NA
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00767	HMDB	NA	NA
+HMDB00296	Uridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00296	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	http://www.hmdb.ca/metabolites/HMDB00767	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00296	Uridine	C9H12N2O6	244.06953	HMDB00296	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00767	Pseudouridine	C9H12N2O6	244.06953	HMDB00767	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00296	Uridine	C9H12N2O6	244.069534	NA	HMDB2010	NA	NA
+HMDB00767	Pseudouridine	C9H12N2O6	244.069534	NA	HMDB2010	NA	NA
+MJ014069	Pseudouridine 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MJ014070	Uridine 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MJ014071	5-Hydroxy-1-?-D-ribofuranosyl-1H-imidazole-4-carboxaldehyde 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MJ014072	?-Amino-3-(carboxymethoxy)-5-methyl-4-isoxazolepropanoic acid 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MJ014073	Asterionellin B; 6-Hydroxy 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MJ014074	Pseudouridine C 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MJ014075	Uridine 	C9H12N2O6	244.069536	NA	MeJP	NA	NA
+MetaCyc02227	pseudouridine []	C9H12N2O6	244.069536	1445-07-4	metacyc	NA	NA
+MetaCyc02228	uridine []	C9H12N2O6	244.069536	58-96-8	metacyc	NA	NA
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	PFEM_hmdb_metabocards_urine	NA	urine
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	HMDB	NA	NA
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	Inhouse_PFEM	NA	NA
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	Inhousejuil11	NA	NA
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	PFEM_hmdb_metabocards_blood	NA	blood
+LABER072	Uridine 	NA	244.069544	245, 113, 70, 96	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0457	Pseudouridine [(M-H)]-	C9H11N2O6	244.070125	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0457	Pseudouridine [(M-H)]-	C9H11N2O6	244.070125	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	HMDB	NA	NA
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	Inhouse_PFEM	NA	NA
+MLBis024	Uridine 	NA	244.0702	245.0774	Inhouse_sept12	NA	NA
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis024	Uridine 	HMDB00296_RT3.73_add113	244.0702	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+MJ014076	1,2-Bis(2,3-dihydroxyphenyl)ethylene 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014077	1,4-Azulenedicarboxylic acid; Di-Me ester 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014078	1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014079	1-(2,6-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014080	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014081	1-(3-Hydroxyphenyl)-2-(2,4,5-trihydroxyphenyl)ethylene 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014082	2,2',4-Trihydroxybenzophenone; 4-Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014083	2,3,4-Dibenzofurantriol; 2,4-Di-Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014084	2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014085	2,4,5-Trihydroxybenzophenone; 4-Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014086	2,4,5-Trihydroxybenzophenone; 5-Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014087	2,4,6-Trihydroxybenzophenone; 2-Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014088	2,4,6-Trihydroxybenzophenone; 4-Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014089	2,5-Dihydroxybenzoic acid; Benzyl ester 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014090	2,6-Dihydroxybenzoic acid; Benzyl ester 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014091	5,6-Dehydrokawain, 7,8-Epoxide 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014092	5-Hydroxy-7-methyl-6-(2-oxopropyl)-1,4-naphthoquinone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014093	5-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014094	5-Tetradecene-8,10,12-triynedioic acid 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014095	6-(4-Hydroxy-3-methoxystyryl)-2-pyrone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014096	7-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014097	9-Tetradecene-2,4,6-triynedioic acid 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014098	Alloxanthoxyletin; O-De-Me 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014099	Anhydrorutaretin 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014100	Apiumetin 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014101	Arnocoumarin; 1',2'-Dihydro, 1'-hydroxy 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014102	Braylin; O-De-Me 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014103	Celereoin; 3'-Deoxy, 3',4'-didehydro 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014104	Dihydrocyperaquinone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014105	Discophoridin 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014106	Eleutherol 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014107	Exiguachromone B 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014108	Fulvoplumierin 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014109	Graveolone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014110	Luvangetin; O-De-Me 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014111	Nachsmyrin 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014112	Nocardione A; Me ether 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014113	Obliquin 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014114	Oroselol 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014115	Osthenone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014116	Pyriculone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014117	Seselinol 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014118	Suberenone 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014119	Wyerone acid 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014120	Yangonin; 12-O-De-Me 	C14H12O4	244.073558	NA	MeJP	NA	NA
+MJ014121	3,3',4'5-Tetrahydroxystilbene 	C14H12O4	244.073558	NA	MeJP	NA	NA
+HMDB04215	3,3',4'5-Tetrahydroxystilbene	C14H12O4	244.07356	http://www.hmdb.ca/metabolites/HMDB04215	HMDB	NA	NA
+HMDB04215	3,3',4'5-Tetrahydroxystilbene	C14H12O4	244.07356	HMDB04215	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04215	3,3',4'5-Tetrahydroxystilbene	C14H12O4	244.073563	NA	HMDB2010	NA	NA
+C05901	3,3',4'5-Tetrahydroxystilbene	C14H12O4	244.0736	NA	KEGG	NA	NA
+C08466	Wyerone acid	C14H12O4	244.0736	NA	KEGG	NA	NA
+C08743	Eriobofuran	C14H12O4	244.0736	NA	KEGG	NA	NA
+C09778	Fulvoplumierin	C14H12O4	244.0736	NA	KEGG	NA	NA
+C10273	Oxyresveratrol	C14H12O4	244.0736	NA	KEGG	NA	NA
+C12090	Methylstyrylpyron	C14H12O4	244.0736	NA	KEGG	NA	NA
+C14283	2,2'-Dihydroxy-4-methoxybenzophenone	C14H12O4	244.0736	NA	KEGG	NA	NA
+MJ014122	Clonazoline 	C14H13ClN2	244.076726	NA	MeJP	NA	NA
+MJ014123	5-Azacytidine 	C8H12N4O5	244.080769	NA	MeJP	NA	NA
+MJ014124	Fazarabine 	C8H12N4O5	244.080769	NA	MeJP	NA	NA
+MJ014125	Ribavirin 	C8H12N4O5	244.080769	NA	MeJP	NA	NA
+C11262	5-Azacytidine	C8H12N4O5	244.0808	NA	KEGG	NA	NA
+C07449	Metiamide	C9H16N4S2	244.0816	NA	KEGG	NA	NA
+MJ014126	Metiamide 	C9H16N4S2	244.081637	NA	MeJP	NA	NA
+MJ014127	7-Methoxy-?-carboline-1-carboxylic acid; 3,4-Dihydro 	C13H12N2O3	244.084792	NA	MeJP	NA	NA
+HMDB06005	Indolylacryloylglycine	C13H12N2O3	244.084793	NA	HMDB2010	NA	NA
+MJ014128	Alovudine 	C10H13FN2O4	244.085935	NA	MeJP	NA	NA
+MJ014129	Amidephrine 	C10H16N2O3S	244.088163	NA	MeJP	NA	NA
+MJ014130	Biotin 	C10H16N2O3S	244.088163	NA	MeJP	NA	NA
+MetaCyc02229	biotin [vitamin H;coenzyme R;d-biotin;]	C10H16N2O3S1	244.088163	58-85-5	metacyc	NA	NA
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	HMDB	NA	NA
+HMDB00030	Biotin	C10H16N2O3S	244.088165	NA	HMDB2010	NA	NA
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	Inhouse_PFEM	NA	NA
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR193	Biotin	C10H16N2O3S	244.088165	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00030	Biotin	C10H16N2O3S	244.08817	http://www.hmdb.ca/metabolites/HMDB00030	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00030	Biotin	C10H16N2O3S	244.08817	http://www.hmdb.ca/metabolites/HMDB00030	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00030	Biotin	C10H16N2O3S	244.08817	http://www.hmdb.ca/metabolites/HMDB00030	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00030	Biotin	C10H16N2O3S	244.08817	http://www.hmdb.ca/metabolites/HMDB00030	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00030	Biotin	C10H16N2O3S	244.08817	http://www.hmdb.ca/metabolites/HMDB00030	HMDB	NA	NA
+HMDB00030	Biotin	C10H16N2O3S	244.08817	http://www.hmdb.ca/metabolites/HMDB00030	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00030	Biotin	C10H16N2O3S	244.08817	HMDB00030	PFEM_hmdb_metabocards_official	NA	NA
+EUR193	Biotin	C10H16N2O3S	244.0882	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR193	Biotin	C10H16N2O3S	244.0882	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR193	Biotin	C10H16N2O3S	244.0882	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR193	Biotin	C10H16N2O3S	244.0882	Wishlist	Inhousejuil11	NA	NA
+C00120	Biotin	C10H16N2O3S	244.0882	NA	KEGG	NA	NA
+MJ014131	Fluprofen 	C15H13FO2	244.089957	NA	MeJP	NA	NA
+MJ014132	Flurbiprofen 	C15H13FO2	244.089957	NA	MeJP	NA	NA
+MJ014133	3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde; 6-O-(2-Methylpropanoyl) 	C11H16O6	244.094688	NA	MeJP	NA	NA
+MJ014134	3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde; 6-O-Butanoyl 	C11H16O6	244.094688	NA	MeJP	NA	NA
+MJ014135	Syringoylglycerol 	C11H16O6	244.094688	NA	MeJP	NA	NA
+MetaCyc02230	flavin []	C12H12N4O2	244.096026	NA	metacyc	NA	NA
+MJ014136	3-(1H-Indol-3-yl)quinoline 	C17H12N2	244.100048	NA	MeJP	NA	NA
+PJ000081	PE 	C10H16N2O5	244.1059	NA	PeJP	NA	NA
+MJ014137	Longitubanine A 	C10H16N2O5	244.105921	NA	MeJP	NA	NA
+MJ014138	Palythine 	C10H16N2O5	244.105921	NA	MeJP	NA	NA
+MJ014139	Pinnatanine 	C10H16N2O5	244.105921	NA	MeJP	NA	NA
+MetaCyc02231	dihydrothymidine []	C10H16N2O5	244.105922	NA	metacyc	NA	NA
+3374	ACE inhibitor (from bovine as1-CN)	PFPE	244.107	MH2+	Inhouse_peptide	NA	peptide
+C09280	Osthol	C15H16O3	244.1099	NA	KEGG	NA	NA
+C09404	Encelin	C15H16O3	244.1099	NA	KEGG	NA	NA
+C10247	Batatasin IV	C15H16O3	244.1099	NA	KEGG	NA	NA
+C13626	5-Hydroxybisphenol A	C15H16O3	244.1099	NA	KEGG	NA	NA
+C13627	Transferred to D02107	C15H16O3	244.1099	NA	KEGG	NA	NA
+C13629	1,2-Bis(4-hydroxyphenyl)-2-propanol	C15H16O3	244.1099	NA	KEGG	NA	NA
+C13631	2,2-Bis(4-hydroxyphenyl)-1-propanol	C15H16O3	244.1099	NA	KEGG	NA	NA
+C17425	Linderalactone	C15H16O3	244.1099	NA	KEGG	NA	NA
+MJ014140	1,2-Epoxy-6,8-hirsutadiene-5,10-dione 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014141	1,3-Bis(4-hydroxyphenyl)-2-propanol 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014142	1,4-Dioxo-2,5,7,10-bisabolatetraen-12-al 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014143	1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3-Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014144	1-(2,4-Dihydroxy-6-methylphenyl)-1-(4-hydroxyphenyl)ethane 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014145	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)propane 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014146	1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3'-Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014147	1-(3,5-Dihydroxyphenyl)-2-(2-hydroxyphenyl)ethane; 3-Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014148	1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3-Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014149	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3-Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014150	14-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014151	15-Oxo-3,10(14),11(13)-guaiatrien-12,6-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014152	2-Acetyl-3-methyl-1,8-naphthalenediol; Di-Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014153	2-Hydroxy-4(15),6,8-hirsutatriene-5,10-dione 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014154	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014155	2-Oxo-1(10),3,11(13)-guaiatrien-12,8-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014156	2-Oxo-1(10),3,5-guaiatrien-12,8-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014157	2-Oxo-3,10(14),11(13)-guaiatrien-12,6-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014158	3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; Me ester 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014159	3-(2,3-Dihydro-2-isopropenyl-5-benzofuranyl)-2-propenoic acid; Me ester 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014160	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide, 3-Ketone 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014161	3-Hydroxy-15-cadalenoic acid 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014162	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ketone 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014163	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Ketone 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014164	3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014165	3-Oxo-1,4,11(13)-eudesmatrien-12,8-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014166	4,5-Secofuranoeremophila-3,5(10)-diene-6,9-dione 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014167	4,5-Secofuranoeremophila-5,9-dien-4-one; 1-Oxo 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014168	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014169	4-[[4-(Methoxymethyl)phenoxy]methyl]phenol 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014170	5,5-Dimethyl-1-phenyl-6-heptene-1,3,4-trione 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014171	5-Hydroxy-1(10),2,4(15),11(13)-guaiatetraen-12,6-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014172	5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran; 1'-Ketone 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014173	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, Lactone 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014174	7-(2-Phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014175	7-Hydroxy-3-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014176	7-Hydroxy-6-prenylcoumarin; Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014177	8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014178	8-Hydroxy-1(6),2,4,7(11)-cadinatetraen-12,8-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014179	8-Oxo-1,3,6-lactaratrien-5,14-olide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014180	?-Cannabispiranol; 2,3,5,6-Tetradehydro 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014181	Angustifolin; Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014182	Azanzone A 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014183	Bothrioclinin; 3,4-Dihydro 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014184	Cacalol; 14-Oxo 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014185	Cannabispirenone A 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014186	Cannabispirenone B 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014187	Cryptocaryalactone, O-De-Ac 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014188	Demethylcacalohastine; 14-Hydroxy 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014189	Deoxyhemigossypol 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014190	Emmotin C 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014191	Emmotin H 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014192	Fomajorin D 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014193	Furanoeremophil-1(10)-ene-2,9-dione 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014194	Gnididione 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014195	Heritol 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014196	Hibiscone D 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014197	Isogerberacumarin 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014198	Isolinderalactone 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014199	Ivaxillarin; 5-Deoxy, 4,5-didehydro 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014200	Lumiyomogin 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014201	Mansonone G 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014202	Osthenol; Me ether 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014203	Platyphyllide; 3-Methoxy 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014204	Shizukanolide; 8,9-Didehydro, 8?,9?-epoxide 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014205	Smyrnicordiolide; 8,9-Didehydro 	C15H16O3	244.109944	NA	MeJP	NA	NA
+MJ014206	Werneriachromene 	C15H16O3	244.109944	NA	MeJP	NA	NA
+8245	Antioxidative peptide	GWNI	244.11345	MH2+	Inhouse_peptide	NA	peptide
+MJ014207	Guanidinoproclavaminic acid 	C9H16N4O4	244.117155	NA	MeJP	NA	NA
+MetaCyc02232	amidinoproclavaminate []	C9H16N4O4	244.117155	NA	metacyc	NA	NA
+C06657	Guanidinoproclavaminic acid	C9H16N4O4	244.1172	NA	KEGG	NA	NA
+8081	synthetic peptide	RWQ	244.119	MH2+	Inhouse_peptide	NA	peptide
+MJ014208	1,2,3,4-Tetrahydro-?-carboline-3-carboxylic acid, N2-Me, Me ester 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+MJ014209	Cyclo(phenylalanylprolyl) 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+MJ014210	Etomidate 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+MJ014211	Imiloxan 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+MJ014212	Methyl 2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+MJ014213	Peganidine 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+MJ014214	Rolicyprine 	C14H16N2O2	244.121177	NA	MeJP	NA	NA
+C07522	Etomidate	C14H16N2O2	244.1212	NA	KEGG	NA	NA
+C11847	Cyclo(L-Phe-L-Pro)	C14H16N2O2	244.1212	NA	KEGG	NA	NA
+CJpos0608	Hydroxyoctanoylcarnitine [(M+H)-(NC3H9)]+	C12H21N0O5	244.130575	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0608	Hydroxyoctanoylcarnitine [(M+H)-(NC3H9)]+	C12H21N0O5	244.130575	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ014215	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one 	C12H20O5	244.131073	NA	MeJP	NA	NA
+MJ014216	8,10,12-Trihydroxy-2,4-dodecadienoic acid 	C12H20O5	244.131073	NA	MeJP	NA	NA
+MJ014217	Boronolide; Tri-de-Ac 	C12H20O5	244.131073	NA	MeJP	NA	NA
+MJ014218	Cryptocaryolone 	C12H20O5	244.131073	NA	MeJP	NA	NA
+MJ014219	Pandangolide 1 	C12H20O5	244.131073	NA	MeJP	NA	NA
+MJ014220	?4,?4-Dimethyl-5-(1-methylethenyl)-1,2-dioxolane-3,4-dimethanol; ?4-Ac 	C12H20O5	244.131073	NA	MeJP	NA	NA
+MJ014221	1-Hydroxy-2-valylamido-1-cyclobutaneacetic acid 	C11H20N2O4	244.142307	NA	MeJP	NA	NA
+MJ014222	Terramide B 	C11H20N2O4	244.142307	NA	MeJP	NA	NA
+C09917	Arnebinol	C16H20O2	244.1463	NA	KEGG	NA	NA
+C10351	Geranylbenzoquinone	C16H20O2	244.1463	NA	KEGG	NA	NA
+MJ014223	15-Cadalenol; 2,3-Dihydro, carboxylic acid, Me ester 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014224	2,7-Cadalenediol; 3-Me ether 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014225	2-(2-Butenyl)benzenehexanoic acid; 1'',4''-Didehydro 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014226	2-(2-Butenyl)benzenehexanoic acid; 1',2'-Didehydro 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014227	2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzoquinone 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014228	2-Methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-ol 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014229	3,8-Cadalenediol; 8-Me ether 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014230	4,5-Secofuranoeremophila-3,5,9-trien-9-ol; Me ether 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014231	4,6,10,12-Tetradecatetraen-8-yn-1-ol, Ac 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014232	5,6,7,8-Tetrahydro-9-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014233	6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-2-ol 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014234	Arnebinol 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014235	Cordiaquinol C 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014236	Fenestrel 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014237	Lindenene; 13-Methoxy 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014238	Lindenene; ?4,5-Isomer, 13-methoxy 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014239	Tetrahydro-5-(1,3,9-undecatriene-5,7-diynyl)-2-furanol, 9,10-Dihydro, Me ether 	C16H20O2	244.146329	NA	MeJP	NA	NA
+MJ014240	1-Mercapto-3-undecanone; S-Ac 	C13H24O2S	244.1497	NA	MeJP	NA	NA
+CJpos0609	Tiglylcarnitine 2-ethylacrylylcarnitine [(M+H)]+ (13C)	C1113CH22NO4	244.149875	C18rt(min)=5.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0609	Tiglylcarnitine § 2-ethylacrylylcarnitine [(M+H)]+ (13C)	C1113CH22NO4	244.149875	C18rt(min)=5.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ014241	1-Phenyl-3-(1-piperidinyl)-2-pyrrolidinone 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014242	2,3-Dihydro-1-(1-piperidinylacetyl)-1H-indole 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014243	Anagyrine 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014244	Cytisine, N-(3-Butenyl) 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014245	Multiflorine; 5,6-Didehydro 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014246	Multiflorine; Didehydro 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014247	Pillijanine 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014248	Sophoramine 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014249	Thermopsine 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014250	Tinctorine 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014251	Tryptamine; Nb-(3-Methylbutanoyl) 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+MJ014252	Tsukushinamine A 	C15H20N2O	244.157563	NA	MeJP	NA	NA
+C10624	Verruculotoxin	C15H20N2O	244.1576	NA	KEGG	NA	NA
+C10750	Anagyrine	C15H20N2O	244.1576	NA	KEGG	NA	NA
+C10781	Rhombifoline	C15H20N2O	244.1576	NA	KEGG	NA	NA
+C10782	Sophoramine	C15H20N2O	244.1576	NA	KEGG	NA	NA
+C10789	Thermospine	C15H20N2O	244.1576	NA	KEGG	NA	NA
+C10790	Tinctorine	C15H20N2O	244.1576	NA	KEGG	NA	NA
+C10791	Tsukushinamine A	C15H20N2O	244.1576	NA	KEGG	NA	NA
+MJ014253	2-Methyl-3-octylbutanedioic acid 	C13H24O4	244.167459	NA	MeJP	NA	NA
+MJ014254	2-Octylpentanedioic acid 	C13H24O4	244.167459	NA	MeJP	NA	NA
+MJ014255	4,5-Dihydro-4-hydroxymethyl-3-(1-hydroxy-6-methylheptyl)-2(3H)-furanone 	C13H24O4	244.167459	NA	MeJP	NA	NA
+MJ014256	7-Megastigmene-3,4,6,9-tetrol 	C13H24O4	244.167459	NA	MeJP	NA	NA
+MJ014257	7-Megastigmene-3,5,6,9-tetrol 	C13H24O4	244.167459	NA	MeJP	NA	NA
+MJ014258	Dihydro-5-(hydroxymethyl)-3-(1-hydroxy-6-methylheptyl)-2(3H)-furanone 	C13H24O4	244.167459	NA	MeJP	NA	NA
+HMDB02327	1,11-Undecanedicarboxylic acid	C13H24O4	244.167465	NA	HMDB2010	NA	NA
+HMDB02327	1,11-Undecanedicarboxylic acid	C13H24O4	244.16747	http://www.hmdb.ca/metabolites/HMDB02327	HMDB	NA	NA
+HMDB02327	1,11-Undecanedicarboxylic acid	C13H24O4	244.16747	HMDB02327	PFEM_hmdb_metabocards_official	NA	NA
+3182	dipeptidyl-aminopeptidase IV inhibitor	LL	244.168	celiac toxic	Inhouse_peptide	NA	peptide
+8323	Glucose uptake stimulating peptide	IL	244.168	Bile-acid glycine conjugates  ;SYN:3a-Hydroxy-5b-cholanic acid glycine ester; 3a-Hydroxy-5b-cholanoylglycine; 3a-Hydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Glycolithocholic acid; Lithocholic acid glycine conjugate; Lithocholic acid glycine conjugic acid; Lithocholylglycine; N-(3a-Hydroxy-5b-cholanoyl)glycine; N-(3a-hydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a-hydroxy-5b-Cholan-24-amide; glycolithocholate; lithocholoyglycine; 3alpha-hydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide; 3alpha-hydroxy-5beta-cholan-24-oate; 3alpha-hydroxy-5beta-cholan-24-oic acidH2Bile; Blood	Inhouse_peptide	NA	peptide
+8324	Glucose uptake stimulating peptide	LI	244.168	Short chain acyl carnitines  ;SYN:Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; Hexanoyl DL-carnitine; Hexanoyl-d,l-carnitine; Hexanoylcarnitine; Caproylcarnitine; Hexanoate; Hexanoic acidH2Blood	Inhouse_peptide	NA	peptide
+8325	Glucose uptake stimulating peptide	II	244.168	Short chain acyl carnitines  ;SYN:Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; Hexanoyl DL-carnitine; Hexanoyl-d,l-carnitine; Hexanoylcarnitine; Caproylcarnitine; Hexanoate; Hexanoic acidH2Blood	Inhouse_peptide	NA	peptide
+8326	Glucose uptake stimulating peptide	LL	244.168	Bile-acid glycine conjugates  ;SYN:3a,7b-Dihydroxy-5b-cholanoylglycine; Glycoursodeoxycholate; Glycoursodeoxycholic acid; Glycylursodeoxycholate; Glycylursodeoxycholic acid; N-(3a,7b-Dihydroxy-5b-cholan-24-oyl)glycine; N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine; UrsodeoxycholylglycineH2Blood	Inhouse_peptide	NA	peptide
+MetaCyc02233	6-aminohexanoate linear dimer [Alo;]	C12H24N2O3	244.178693	NA	metacyc	NA	NA
+C01255	N-(6-Aminohexanoyl)-6-aminohexanoate	C12H24N2O3	244.1787	NA	KEGG	NA	NA
+C01256	[Pyruvate dehydrogenase (acetyl-transferring)]	C4H6N2O3R2	244.1787	NA	KEGG	NA	NA
+C11332	Leucyl-leucine	C12H24N2O3	244.1787	NA	KEGG	NA	NA
+PJ000082	LL 	C12H24N2O3	244.1787	NA	PeJP	NA	NA
+C08450	Falcarinol	C17H24O	244.1827	NA	KEGG	NA	NA
+C17447	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol	C17H24O	244.1827	NA	KEGG	NA	NA
+C17448	Diosgenin glycoside	C17H24O	244.1827	NA	KEGG	NA	NA
+MJ014259	1,7,9,13-Heptadecatetraen-11-yn-3-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014260	1,9-Heptadecadiene-11,13-diyn-8-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014261	1,9-Heptadecadiene-4,6-diyn-3-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014262	2,7,9,13-Heptadecatetraen-11-yn-1-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014263	2,9-Heptadecadiene-4,6-diyn-1-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014264	2,9-Heptadecadiene-4,6-diyn-8-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014265	2-(1-Tridecen-12-ynyl)furan 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014266	4,8,10,16-Heptadecatetraen-6-yn-3-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014267	8,10,16-Heptadecatrien-6-yn-3-one 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014268	8,10-Heptadecadiene-4,6-diyn-1-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014269	8,11,13-Podocarpatrien-13-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014270	9,15-Heptadecadiene-11,13-diyn-8-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014271	9,16-Heptadecadiene-4,6-diyn-3-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014272	9,16-Heptadecadiene-4,6-diyn-8-ol 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014273	9-Heptadecene-4,6-diyn-3-one 	C17H24O	244.182715	NA	MeJP	NA	NA
+MJ014274	Phascoline 	C11H24N4O2	244.189926	NA	MeJP	NA	NA
+JH228	Curcumin N/A	NA	244.191	21.48	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH228	Curcumin N/A	NA	244.191	21.48	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH228	Curcumin N/A	NA	244.191	21.48	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH228	Curcumin N/A	NA	244.191	21.48	Inhousejuil11	NA	NA
+C07913	Xylometazoline	C16H24N2	244.1939	NA	KEGG	NA	NA
+MJ014275	Isoaminile 	C16H24N2	244.193948	NA	MeJP	NA	NA
+MJ014276	Xylometazoline 	C16H24N2	244.193948	NA	MeJP	NA	NA
+C13790	2S-Hydroxytetradecanoic acid	C14H28O3	244.2038	NA	KEGG	NA	NA
+HMDB02261	2-Hydroxymyristic acid	C14H28O3	244.20384	http://www.hmdb.ca/metabolites/HMDB02261	HMDB	NA	NA
+HMDB02261	2-Hydroxymyristic acid	C14H28O3	244.20384	HMDB02261	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02261	2-Hydroxymyristic acid	C14H28O3	244.203842	NA	HMDB2010	NA	NA
+HMDB10731	(R)-3-Hydroxy-tetradecanoic acid	C14H28O3	244.203842	NA	HMDB2010	NA	NA
+MJ014277	10-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+MJ014278	11-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+MJ014279	14-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+MJ014280	2-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+MJ014281	3-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+MJ014282	6-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+MJ014283	8-Hydroxytetradecanoic acid 	C14H28O3	244.203844	NA	MeJP	NA	NA
+HMDB01186	N1-Acetylspermine	C12H28N4O	244.2263	http://www.hmdb.ca/metabolites/HMDB01186	HMDB	NA	NA
+C02567	N1-Acetylspermine	C12H28N4O	244.2263	NA	KEGG	NA	NA
+C02568	N5-Alkylglutamine	C5H9N2O3R	244.2263	NA	KEGG	NA	NA
+HMDB01186	N1-Acetylspermine	C12H28N4O	244.2263	HMDB01186	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02234	N1-acetylspermine []	C12H28N4O1	244.226312	77928-70-2	metacyc	NA	NA
+HMDB01186	N1-Acetylspermine	C12H28N4O	244.226318	NA	HMDB2010	NA	NA
+MJ014284	N,N'-Bis[3-(ethylamino)propyl]-1,3-propanediamine 	C13H32N4	244.262697	NA	MeJP	NA	NA
+8072	synthetic peptide	RWE	244.611	MH2+	Inhouse_peptide	NA	peptide
+MJ014285	Iron(III) citrate 	C6H5FeO7	244.938469	NA	MeJP	NA	NA
+C10917	7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane	C5H11NS5	244.9495	NA	KEGG	NA	NA
+MJ014286	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3-Bromo 	C8H8BrNO3	244.968755	NA	MeJP	NA	NA
+MJ014287	Guanfacine 	C9H9Cl2N3O	245.012267	NA	MeJP	NA	NA
+C07037	Guanfacine	C9H9Cl2N3O	245.0123	NA	KEGG	NA	NA
+C07038	Transferred to D00338	C9H9Cl2N3O	245.0123	NA	KEGG	NA	NA
+C07039	Transferred to D00339	C9H9Cl2N3O	245.0123	NA	KEGG	NA	NA
+MJ014288	Edrophonium(1+); Bromide 	C10H16BrNO	245.041526	NA	MeJP	NA	NA
+MetaCyc02235	2-deoxyglucose-6-phosphate []	C6H14O8P1	245.042629	NA	metacyc	NA	NA
+MJ014289	?-Amino-?-methyl-4-phosphonobenzeneacetic acid 	C9H12NO5P	245.045309	NA	MeJP	NA	NA
+MJ014290	3-(4-Chlorophenoxy)-1,2-propanediol, 1-Carbamate 	C10H12ClNO4	245.045485	NA	MeJP	NA	NA
+C07930	Chlorphenesin carbamate	C10H12ClNO4	245.0455	NA	KEGG	NA	NA
+MJ014291	2-?-D-Ribofuranosyl-4-oxazolecarboxylic acid 	C9H11NO7	245.053551	NA	MeJP	NA	NA
+MJ014292	Oxazinomycin 	C9H11NO7	245.053551	NA	MeJP	NA	NA
+MJ014293	Dacopafant 	C12H11N3OS	245.062282	NA	MeJP	NA	NA
+MJ014294	6-Azauridine 	C8H11N3O6	245.064785	NA	MeJP	NA	NA
+MetaCyc02236	6-aza-uridine [azauridine;6-azauridine;]	C8H11N3O6	245.064785	39455-15-7	metacyc	NA	NA
+MJ014295	Flumetramide 	C11H10F3NO2	245.066363	NA	MeJP	NA	NA
+C10694	Haplopine	C13H11NO4	245.0688	NA	KEGG	NA	NA
+MJ014296	10-Hydroxy-8-decene-2,4,6-triynoic acid, Glycyl methyl ester 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014297	3-(2,6-Dihydroxy-4-methoxybenzoyl)pyridine 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014298	Furo[2,3-b]quinoline-4,5,8-triol; 4,8-Di-Me ether 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014299	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 4,6-Di-Me ether 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014300	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 4,7-Di-Me ether 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014301	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,7-Di-Me ether 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014302	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether 	C13H11NO4	245.068807	NA	MeJP	NA	NA
+MJ014303	Caerulomycin; 3-Hydroxy 	C12H11N3O3	245.080041	NA	MeJP	NA	NA
+MJ014304	Leucettamine B 	C12H11N3O3	245.080041	NA	MeJP	NA	NA
+C16635	5'-Deoxy-5-fluorocytidine	C9H12FN3O4	245.0812	NA	KEGG	NA	NA
+C16636	tRNA(Sec)	C10H17O10PR2	245.0812	NA	KEGG	NA	NA
+MJ014305	Bipenamol 	C14H15NOS	245.087434	NA	MeJP	NA	NA
+MJ014306	4-Hydroxy-2-butenoic acid, Nitrile, O-?-D-glucopyranoside 	C10H15NO6	245.089937	NA	MeJP	NA	NA
+MJ014307	Hymenialdisine; Debromo, (E)-isomer 	C11H11N5O2	245.091274	NA	MeJP	NA	NA
+3273	NA	GRGDS	245.10095	MH2+	Inhouse_peptide	NA	peptide
+MJ014308	5,6-Dihydro-5-azathymidine 	C9H15N3O5	245.10117	NA	MeJP	NA	NA
+MJ014309	4'-Hydroxy-3',4'-dihydroflindersine 	C14H15NO3	245.105193	NA	MeJP	NA	NA
+MJ014310	4-Hydroxy-2,3-dimethylquinoline; N-Acetoxymethyl 	C14H15NO3	245.105193	NA	MeJP	NA	NA
+MJ014311	Anthosamine A; N-Me 	C14H15NO3	245.105193	NA	MeJP	NA	NA
+MJ014312	Dilemmaone A; 5-Hydroxy 	C14H15NO3	245.105193	NA	MeJP	NA	NA
+MJ014313	N,N-Bis(4-hydroxybenzyl)hydroxylamine 	C14H15NO3	245.105193	NA	MeJP	NA	NA
+MJ014314	Riedelianine 	C14H15NO3	245.105193	NA	MeJP	NA	NA
+7832	ACE inhibitor	LN	245.1269	immunomodulating	Inhouse_peptide	NA	peptide
+3331	human beta-casein fr,58-61	LVYP	245.1335	MH2+	Inhouse_peptide	NA	peptide
+PJ000083	VQ 	C10H19N3O4	245.1376	NA	PeJP	NA	NA
+4005	NA	RA	245.138	antifungal	Inhouse_peptide	NA	peptide
+7588	ACE inhibitor	RA	245.138	antioxidative	Inhouse_peptide	NA	peptide
+7742	ACE inhibitor	AR	245.138	antioxidative	Inhouse_peptide	NA	peptide
+MJ014315	1-Hydroxymethylpyrrolizidine, O-Benzoyl 	C15H19NO2	245.141578	NA	MeJP	NA	NA
+MJ014316	2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-hexanone 	C15H19NO2	245.141578	NA	MeJP	NA	NA
+MJ014317	8-Azabicyclo[3.2.1]octan-3-ol, O-Phenylacetyl 	C15H19NO2	245.141578	NA	MeJP	NA	NA
+MJ014318	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Benzoyl 	C15H19NO2	245.141578	NA	MeJP	NA	NA
+MJ014319	Sattazolin 	C15H19NO2	245.141578	NA	MeJP	NA	NA
+C10848	Tropacocaine	C15H19NO2	245.1416	NA	KEGG	NA	NA
+C11381	Benzoyltropein	C15H19NO2	245.1416	NA	KEGG	NA	NA
+MJ014320	beta-Alanyl-L-arginine 	C9H19N5O3	245.148789	NA	MeJP	NA	NA
+C05340	beta-Alanyl-L-arginine	C9H19N5O3	245.1488	NA	KEGG	NA	NA
+PJ000084	AR 	C9H19N5O3	245.1488	NA	PeJP	NA	NA
+MJ014321	Methafurylene 	C14H19N3O	245.152812	NA	MeJP	NA	NA
+MJ014322	Oxolamine 	C14H19N3O	245.152812	NA	MeJP	NA	NA
+MJ014323	Ramifenazone 	C14H19N3O	245.152812	NA	MeJP	NA	NA
+MJ014324	Tambjamine A; 1''-N-(2-Methylpropyl) 	C14H19N3O	245.152812	NA	MeJP	NA	NA
+MJ014325	Xilobam 	C14H19N3O	245.152812	NA	MeJP	NA	NA
+7558	ACE inhibitor from buckwheat	VK	245.162	antioxidative	Inhouse_peptide	NA	peptide
+CJpos0610	Isovalerylcarnitine [(M+H)]+	C12H24NO4	245.162175	C18rt(min)=5.65 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0611	2-methylbutyroylcarnitine [(M+H)]+	C12H24NO4	245.162175	C18rt(min)=5.55 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0610	Isovalerylcarnitine [(M+H)]+	C12H24NO4	245.162175	C18rt(min)=5.65 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0611	2-methylbutyroylcarnitine [(M+H)]+	C12H24NO4	245.162175	C18rt(min)=5.55 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00688	Isovalerylcarnitine	C12H23NO4	245.1627	http://www.hmdb.ca/metabolites/HMDB00688	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00378	2-Methylbutyroylcarnitine	C12H23NO4	245.1627	http://www.hmdb.ca/metabolites/HMDB00378	HMDB	NA	NA
+HMDB00688	Isovalerylcarnitine	C12H23NO4	245.1627	http://www.hmdb.ca/metabolites/HMDB00688	HMDB	NA	NA
+HMDB00688	Isovalerylcarnitine	C12H23NO4	245.1627	http://www.hmdb.ca/metabolites/HMDB00688	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00378	2-Methylbutyroylcarnitine	C12H23NO4	245.1627	HMDB00378	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00688	Isovalerylcarnitine	C12H23NO4	245.1627	HMDB00688	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00688	Isovalerylcarnitine	C12H23NO4	245.1627	NA  ;SYN:DL-Methionine sulfoxide; L-Methionine sulfoxide; S-oxide-methionine; alpha-amino-gamma-(methylsulfinyl)-Butyric acid; 2-amino-4-(methylsulfinyl)-Butanoic acid; 2-amino-4-(methylsulfinyl)-Butanoate; L-methionine R-oxide;L-methionine (S)-S-oxideH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00378	2-Methylbutyroylcarnitine	C12H23NO4	245.162704	NA	HMDB2010	NA	NA
+HMDB00688	Isovalerylcarnitine	C12H23NO4	245.162704	NA	HMDB2010	NA	NA
+HMDB13128	Valerylcarnitine	C12H23NO4	245.162704	NA	HMDB2010	NA	NA
+MJ014326	Pinacidil 	C13H19N5	245.164045	NA	MeJP	NA	NA
+PJ000085	VK 	C11H23N3O3	245.174	NA	PeJP	NA	NA
+MJ014327	2,4,10-Dodecatrien-8-ynoic acid, 2-Methylpropylamide 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014328	2-Dodecene-8,10-diynoic acid, 2-Methylpropylamide 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014329	2-Undecene-8,10-diynoic acid, 2-Methylbutylamide 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014330	Anazocine 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014331	Anhydrolycodoline; Natural-form 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014332	Cavernoisonitrile 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014333	Dezocine 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014334	Fawcettidine 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014335	Inaperisone 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014336	Lycopecurine; 5-Ketone 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014337	Lycopodium Base IV 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014338	Pyrovalerone 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014339	Tolperisone 	C16H23NO	245.177964	NA	MeJP	NA	NA
+MJ014340	Tolquinzole 	C16H23NO	245.177964	NA	MeJP	NA	NA
+C08010	Dezocine	C16H23NO	245.178	NA	KEGG	NA	NA
+C08011	Transferred to D00839	C16H23NO	245.178	NA	KEGG	NA	NA
+C09862	Fawcettidine	C16H23NO	245.178	NA	KEGG	NA	NA
+MJ014341	Iquindamine 	C15H23N3	245.189197	NA	MeJP	NA	NA
+MJ014342	Gamfexine 	C17H27N	245.214349	NA	MeJP	NA	NA
+MJ014343	Mantella Alkaloid 241F; 2',3',3'',4''-Tetrahydro 	C17H27N	245.214349	NA	MeJP	NA	NA
+MJ014344	Mantella Alkaloid 243D; 4',5'-Dihydro 	C17H27N	245.214349	NA	MeJP	NA	NA
+MJ014345	Caldopentamine 	C12H31N5	245.257946	NA	MeJP	NA	NA
+7943	synthetic peptide	YYF	245.597	MH2+	Inhouse_peptide	NA	peptide
+7961	synthetic peptide	FYY	245.597	MH2+	Inhouse_peptide	NA	peptide
+7963	synthetic peptide	YFY	245.597	MH2+	Inhouse_peptide	NA	peptide
+7904	NA	SALAM	245.6152	MH2+	Inhouse_peptide	NA	peptide
+MJ014346	Strontium bromide (SrBr2) 	Br2Sr	245.742289	NA	MeJP	NA	NA
+MJ014347	Tetrachlorohydroquinone 	C6H2Cl4O2	245.88089	NA	MeJP	NA	NA
+MJ014348	3,4,5,6-Tetrachloro-1,2-benzenediol 	C6H2Cl4O2	245.88089	NA	MeJP	NA	NA
+MetaCyc02237	tetrachlorohydroquinone [2,3,5,6-tetrachlorohydroquinone;TeCH;]	C6H2O2CL4	245.88089	NA	metacyc	NA	NA
+C03434	Tetrachlorohydroquinone	C6H2Cl4O2	245.8809	NA	KEGG	NA	NA
+C03437	beta-D-Fructofuranoside	C6H11O6R	245.8809	NA	KEGG	NA	NA
+C03438	beta-Lactam antibiotics	C6H3NO3SR2	245.8809	NA	KEGG	NA	NA
+MJ014349	Tetrahydro-3-iodothiophene, S,S-Dioxide 	C4H7IO2S	245.921143	NA	MeJP	NA	NA
+MJ014350	2-Bromo-5,6-epoxy-4-hydroxy-2-cyclohexen-1-one, Ac 	C8H7BrO4	245.952771	NA	MeJP	NA	NA
+MJ014351	3-Bromo-2,5,6-trihydroxybenzaldehyde; 2-Me ether 	C8H7BrO4	245.952771	NA	MeJP	NA	NA
+MJ014352	Eudistomin J; Deoxy 	C11H7BrN2	245.97926	NA	MeJP	NA	NA
+MJ014353	Eudistomin N 	C11H7BrN2	245.97926	NA	MeJP	NA	NA
+C17169	Eudistomin N	C11H7BrN2	245.9793	NA	KEGG	NA	NA
+C17202	S-Palmitoylprotein	C20H36N2O3SR2	245.9793	NA	KEGG	NA	NA
+MJ014354	2,3,5-Tris(methylthio)-1,4-benzenediol; 1,4-Quinone 	C9H10O2S3	245.984291	NA	MeJP	NA	NA
+C00129	Isopentenyl diphosphate	C5H12O7P2	246.0058	NA	KEGG	NA	NA
+C00235	Dimethylallyl diphosphate	C5H12O7P2	246.0058	NA	KEGG	NA	NA
+MJ014355	Dimethylallyl diphosphate 	C5H12O7P2	246.005825	NA	MeJP	NA	NA
+MJ014356	Isopentenyl diphosphate 	C5H12O7P2	246.005825	NA	MeJP	NA	NA
+MJ014357	Polyisopentenylpyrolinate 	C5H12O7P2	246.005825	NA	MeJP	NA	NA
+MetaCyc02238	&Delta;3-isopentenyl-PP [isopentenyl-pp;isopentenyl diphosphate;IPP;&delta;(3)-isopentenyl-PP;isopentenyl pyrophosphate;]	C5H12O7P2	246.005826	NA	metacyc	NA	NA
+MetaCyc02239	dimethylallyl-pyrophosphate [prenyl-diphosphate;&delta;-prenyl diphosphate;&delta;2-isopentenyl-diphosphate;2-isopentenyl diphosphate;prenyl diphosphate;DMAPP;DPP;dimethylallyl-diphosphate;di-CH3-allyl-PPi;dimethylallyl-PP;dimethylallyl-PPi;DMPP;]	C5H12O7P2	246.005826	358-71-4	metacyc	NA	NA
+HMDB01120	Dimethylallylpyrophosphate	C5H12O7P2	246.005829	NA	HMDB2010	NA	NA
+HMDB01347	Isopentenyl pyrophosphate	C5H12O7P2	246.005829	NA	HMDB2010	NA	NA
+HMDB01120	Dimethylallylpyrophosphate	C5H12O7P2	246.00583	http://www.hmdb.ca/metabolites/HMDB01120	HMDB	NA	NA
+HMDB01347	Isopentenyl pyrophosphate	C5H12O7P2	246.00583	http://www.hmdb.ca/metabolites/HMDB01347	HMDB	NA	NA
+HMDB01120	Dimethylallylpyrophosphate	C5H12O7P2	246.00583	HMDB01120	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01347	Isopentenyl pyrophosphate	C5H12O7P2	246.00583	HMDB01347	PFEM_hmdb_metabocards_official	NA	NA
+MJ014358	Biclodil 	C8H8Cl2N4O	246.007516	NA	MeJP	NA	NA
+MJ014359	Guanabenz; N-Hydroxy 	C8H8Cl2N4O	246.007516	NA	MeJP	NA	NA
+MJ014360	Magnesium sulfate heptahydrate 	H14MgO11S	246.010723	NA	MeJP	NA	NA
+MJ014361	Gomphilactone 	C12H6O6	246.016437	NA	MeJP	NA	NA
+MJ014362	2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol 	C13H10OS2	246.017306	NA	MeJP	NA	NA
+MJ014363	3-(6-Hydroxy-1,3-hexadiynyl)-6-(1-propynyl)-1,2-dithiin 	C13H10OS2	246.017306	NA	MeJP	NA	NA
+MJ014364	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene 	C13H10OS2	246.017306	NA	MeJP	NA	NA
+MJ014365	5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene 	C13H10OS2	246.017306	NA	MeJP	NA	NA
+MJ014366	2-Chloro-1,6-phenazinediol 	C12H7ClN2O2	246.019605	NA	MeJP	NA	NA
+MJ014367	Busulfan 	C6H14O6S2	246.023179	NA	MeJP	NA	NA
+MJ014368	6-Bromo-1,4-epoxy-2-ochtoden-8-ol 	C10H15BrO2	246.025542	NA	MeJP	NA	NA
+MJ014369	6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol 	C10H15BrO2	246.025542	NA	MeJP	NA	NA
+MJ014370	3-Chloro-1,5-dihydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, Me ester 	C10H11ClO5	246.029501	NA	MeJP	NA	NA
+CJneg0458	Aminosalicyluric acid [(M+Cl)]-	C9H10ClN2O4	246.041325	C18rt(min)=4.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0458	Aminosalicyluric acid [(M+Cl)]-	C9H10ClN2O4	246.041325	C18rt(min)=4.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ014371	Guanclofine 	C9H12Cl2N4	246.043901	NA	MeJP	NA	NA
+MetaCyc02240	indole carboxyl hydro-thiazole []	C12H10N2O2S1	246.046298	NA	metacyc	NA	NA
+C03274	Glycerophosphoglycerol	C6H15O8P	246.0505	NA	KEGG	NA	NA
+C02162	Isopimpinellin	C13H10O5	246.0528	NA	KEGG	NA	NA
+C02163	L-Arginyl-tRNA(Arg)	C21H33N9O11PR	246.0528	NA	KEGG	NA	NA
+C06355	2,3',4,6-Tetrahydroxybenzophenone	C13H10O5	246.0528	NA	KEGG	NA	NA
+C09285	Pimpinellin	C13H10O5	246.0528	NA	KEGG	NA	NA
+MJ014372	2,4,4',6-Tetrahydroxybenzophenone 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014373	2H-Furo[2,3-h][1]benzopyran-2-one; 3,6-Dimethoxy 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014374	3-Methoxycarbonyl-7-formyl-1-benzoxepin-5(2H)-one 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014375	5,6-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; Di-Me ether 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014376	5,7-Dihydroxynaphtho[2,3-c]furan-4,9-dione; 1,3-Dihydro, 7-Me ether 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014377	6,7-Dihydroxy-3-propyl-1H-2-benzopyran-1-one; 1'-Oxo, methylene ether 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014378	?-Sorigenin; 6-Methoxy 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014379	Coriandrin; 1'-Hydroxy 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014380	Halkendin 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014381	Hispidin 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014382	Isopimpinellin 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014383	Juglomycin F 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014384	Khellin; O9-De-Me 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MJ014385	Khellol 	C13H10O5	246.052823	NA	MeJP	NA	NA
+MetaCyc02241	hispidin [2-[2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-pyran-4-one;]	C13H10O5	246.052823	NA	metacyc	NA	NA
+MetaCyc02242	2,3',4,6-tetrahydroxybenzophenone []	C13H10O5	246.052823	NA	metacyc	NA	NA
+MJ014386	Dibenzyl disulfide 	C14H14S2	246.053691	NA	MeJP	NA	NA
+CJneg0459	Azelaic acid [(M-H)+(NaCl)]-	C9H15ClNaO4	246.064025	C18rt(min)=7.01 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0459	Azelaic acid [(M-H)+(NaCl)]-	C9H15ClNaO4	246.064025	C18rt(min)=7.01 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ014387	Nifurpirinol 	C12H10N2O4	246.064056	NA	MeJP	NA	NA
+MJ014388	2'-Deoxy-5-fluorouridine 	C9H11FN2O5	246.065199	NA	MeJP	NA	NA
+MJ014389	5'-Deoxy-5-fluorouridine 	C9H11FN2O5	246.065199	NA	MeJP	NA	NA
+C11736	5-Fluorodeoxyuridine	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12739	5'-Deoxy-5-fluorouridine	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12740	Transferred to D01310	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12741	Transferred to D01311	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12742	Transferred to D01312	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12743	Transferred to D01313	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12744	Transferred to D01314	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12745	Transferred to D01315	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12746	Transferred to D01316	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12747	Transferred to D01317	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12748	Transferred to D02396	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+C12749	Transferred to D01318	C9H11FN2O5	246.0652	NA	KEGG	NA	NA
+MJ014390	Thiostreptine 	C9H14N2O4S	246.067427	NA	MeJP	NA	NA
+MJ014391	8-(2-Thienyl)-3,5-octadien-7-yn-1-ol, Ac 	C14H14O2S	246.07145	NA	MeJP	NA	NA
+MJ014392	3-[(1-Methylpropyl)dithio]-2-propen-1-ol, 2-Methyl-2-propenoyl 	C11H18O2S2	246.074821	NA	MeJP	NA	NA
+MJ014393	Axinohydantoin; Debromo 	C11H10N4O3	246.07529	NA	MeJP	NA	NA
+MJ014394	5,6-Dihydrouridine 	C9H14N2O6	246.085186	NA	MeJP	NA	NA
+HMDB00497	5,6-Dihydrouridine	C9H14N2O6	246.08519	NA	HMDB2010	NA	NA
+HMDB11160	L-alpha-Aspartyl-L-hydroxyproline	C9H14N2O6	246.08519	NA	HMDB2010	NA	NA
+MJ014395	Azanidazole 	C10H10N6O2	246.086523	NA	MeJP	NA	NA
+C09210	Columbianetin	C14H14O4	246.0892	NA	KEGG	NA	NA
+C09259	Decursinol	C14H14O4	246.0892	NA	KEGG	NA	NA
+C09276	Marmesin	C14H14O4	246.0892	NA	KEGG	NA	NA
+C09278	Nodakenetin	C14H14O4	246.0892	NA	KEGG	NA	NA
+C17672	Torachrysone	C14H14O4	246.0892	NA	KEGG	NA	NA
+MJ014396	1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014397	2,3',4',5'-Biphenyltetrol; 3',5'-Di-Me ether 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014398	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014399	2,4,6,8,10,12-Tetradecahexaenedioic acid 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014400	2,8-Decadiene-4,6-diyne-1,10-diol, Di-Ac 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014401	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014402	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-Me ether 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014403	3,7-Dihydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014404	4'-Hydroxy-3',4'-dihydroseselin 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014405	4,5,6-Trihydroxy-2-naphthalenecarboxaldehyde; Tri-Me ether 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014406	4,5,8-Trihydroxy-2-naphthalenecarboxaldehyde; Tri-Me ether 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014407	4-Hydroxy-2-methoxy-5-(1-oxo-2,4-hexadienyl)benzaldehyde 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014408	5,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014409	5,7-Dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014410	5-Acetyl-6-hydroxy-2-isopropenyl-7-methoxybenzofuran 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014411	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014412	7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014413	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014414	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3-Methyl-2-butenyl) 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014415	7-Hydroxy-2H-1-benzopyran-2-one; O-(2-Hydroxy-3-methyl-3-butenyl) 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014416	7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014417	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-Methyl-1-propenyl) 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014418	7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014419	7-[(3-Methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one; 2'R,3'-Epoxide 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014420	Arnottinin 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014421	Dendranthemenol; 8,9-Epoxide, 13-epimer 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014422	Dihydrooroselol 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014423	Fraxinellonone 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014424	Ftalofyne 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014425	Graphenone 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014426	Hibiscoquinone B 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014427	Libanotin A 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014428	Lomatin 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014429	Norpinguisanolide 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014430	Obliquetol 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014431	Osthenone, 1',2'-Dihydro 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014432	Phthalidochromene 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014433	Platypodantherone 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014434	Pulsaquinone 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014435	Seselinol; 9,10-Dihydro 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014436	Sorrentanone 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014437	Tamarin, O-De-Me 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014438	Tenual 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014439	Tenuidin 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014440	Tetrahydrocyperaquinone 	C14H14O4	246.089208	NA	MeJP	NA	NA
+MJ014441	Wyerone acid, 11,12-Dihydro 	C14H14O4	246.089208	NA	MeJP	NA	NA
+C07898	Naphazoline hydrochloride	C14H14N2	246.0924	NA	KEGG	NA	NA
+C14938	N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine	C14H15ClN2	246.0924	NA	KEGG	NA	NA
+3171	dipeptidyl-aminopeptidase IV inhibitor	MP	246.0924	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000086	NN 	C8H14N4O5	246.0964	NA	PeJP	NA	NA
+MJ014442	5,6-Dihydro-5-azacytidine 	C8H14N4O5	246.096419	NA	MeJP	NA	NA
+MJ014443	Arginine, N2-Oxalyl 	C8H14N4O5	246.096419	NA	MeJP	NA	NA
+CJpos0612	N-Acetyltryptophan [(M+H)]+	C13H15N2O3	246.099875	C18rt(min)=6.68 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0613	Cinnamoylglycine [(M+H)+(CH3CN)]+	C13H15N2O3	246.099875	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0614	N-Acetyltryptophan isomer [(M+H)]+	C13H15N2O3	246.099875	C18rt(min)=7 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0615	N-Acetyltryptophan isomer [(M+H)]+	C13H15N2O3	246.099875	C18rt(min)=5.75 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0616	Phenylacetylglutamine [(M+H)-(H2O)]+	C13H15N2O3	246.099875	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0612	N-Acetyltryptophan [(M+H)]+	C13H15N2O3	246.099875	C18rt(min)=6.68 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0613	Cinnamoylglycine [(M+H)+(CH3CN)]+	C13H15N2O3	246.099875	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0614	N-Acetyltryptophan isomer [(M+H)]+	C13H15N2O3	246.099875	C18rt(min)=7 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0615	N-Acetyltryptophan isomer [(M+H)]+	C13H15N2O3	246.099875	C18rt(min)=5.75 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0616	Phenylacetylglutamine [(M+H)-(H2O)]+	C13H15N2O3	246.099875	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03137	N-Acetyl-D-tryptophan	C13H14N2O3	246.1004	NA	KEGG	NA	NA
+C03138	N-Acetylcorticotropin	C13H14N2O3	246.1004	NA	KEGG	NA	NA
+C07829	Mephobarbital	C13H14N2O3	246.1004	NA	KEGG	NA	NA
+C07830	Transferred to D00701	C13H14N2O3	246.1004	NA	KEGG	NA	NA
+C07831	Transferred to D00702	C13H14N2O3	246.1004	NA	KEGG	NA	NA
+MJ014444	Antibiotic DC 81 	C13H14N2O3	246.100442	NA	MeJP	NA	NA
+MJ014445	Methylphenobarbital 	C13H14N2O3	246.100442	NA	MeJP	NA	NA
+MJ014446	N-(2,6-Dioxo-3-piperidinyl)benzeneacetamide 	C13H14N2O3	246.100442	NA	MeJP	NA	NA
+MetaCyc02243	indole-3-acetyl-ala [indole-3-acetyl-alanine;]	C13H14N2O3	246.100442	NA	metacyc	NA	NA
+CJneg0460	N-Acetyltryptophan [(M-H)]-	C13H13N2O3	246.101025	C18rt(min)=6.68 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0461	N-Acetyltryptophan isomer [(M-H)]-	C13H13N2O3	246.101025	C18rt(min)=7 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0460	N-Acetyltryptophan [(M-H)]-	C13H13N2O3	246.101025	C18rt(min)=6.68 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0461	N-Acetyltryptophan isomer [(M-H)]-	C13H13N2O3	246.101025	C18rt(min)=7 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000087	PM 	C10H18N2O3S	246.1038	NA	PeJP	NA	NA
+MetaCyc02244	9-mercaptodethiobiotin [9-mercaptodesthiobiotin;]	C10H18N2O3S1	246.103813	NA	metacyc	NA	NA
+8089	peptide derived from tuna cooking juice	VDYP	246.10495	MH2+	Inhouse_peptide	NA	peptide
+7828	ACE inhibitor	EV	246.11	antithrombotic	Inhouse_peptide	NA	peptide
+7829	ACE inhibitor	VE	246.11	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ014447	1,2,6-Trihydroxy-4-oxocyclohexaneacetic acid, 2,6-Di-Me ether, Me ester 	C11H18O6	246.110338	NA	MeJP	NA	NA
+MJ014448	4,5-Dihydroxy-2,6-octadienoic acid; 2,3-Dihydroxypropyl ester 	C11H18O6	246.110338	NA	MeJP	NA	NA
+MJ014449	Eccremocarpol A 	C11H18O6	246.110338	NA	MeJP	NA	NA
+MJ014450	[Dihydro-5-(1,3-dihydroxybutyl)-4-hydroxy-2(3H)furanylidene]acetic acid; Me ester 	C11H18O6	246.110338	NA	MeJP	NA	NA
+MJ014451	[Tetrahydro-4,5-dihydroxy-6-(2-hydroxypropyl)-2H-pyranylidene]acetic acid; Me ester 	C11H18O6	246.110338	NA	MeJP	NA	NA
+MJ014452	3,3'-Methylenebisindole 	C17H14N2	246.115698	NA	MeJP	NA	NA
+MJ014453	Ellipticine 	C17H14N2	246.115698	NA	MeJP	NA	NA
+MJ014454	Flavopereirine 	C17H14N2	246.115698	NA	MeJP	NA	NA
+MJ014455	Olivacine 	C17H14N2	246.115698	NA	MeJP	NA	NA
+C09154	Ellipticine	C17H14N2	246.1157	NA	KEGG	NA	NA
+C09230	Olivacine	C17H14N2	246.1157	NA	KEGG	NA	NA
+CJpos0617	Asp-Leu Asp-Ile [(M+H)]+	C10H19N2O5	246.120975	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0618	Asp-Leu Asp-Ile [(M+H)]+	C10H19N2O5	246.120975	C18rt(min)=5.15 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0619	Glu-Val [(M+H)]+	C10H19N2O5	246.120975	C18rt(min)=4.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0617	Asp-Leu § Asp-Ile [(M+H)]+	C10H19N2O5	246.120975	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0618	Asp-Leu § Asp-Ile [(M+H)]+	C10H19N2O5	246.120975	C18rt(min)=5.15 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0619	Glu-Val [(M+H)]+	C10H19N2O5	246.120975	C18rt(min)=4.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB11166	L-beta-aspartyl-L-leucine	C10H18N2O5	246.121567	NA	HMDB2010	NA	NA
+HMDB11172	L-gamma-glutamyl-L-valine	C10H18N2O5	246.121567	NA	HMDB2010	NA	NA
+MJ014456	N-?-Glutamylvaline; L-L-form 	C10H18N2O5	246.121571	NA	MeJP	NA	NA
+PJ000088	VE 	C10H18N2O5	246.1216	NA	PeJP	NA	NA
+CJneg0462	Asp-Leu / Asp-Ile [(M-H)]-	C10H17N2O5	246.122125	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0463	Glu-Val [(M-H)]-	C10H17N2O5	246.122125	C18rt(min)=4.4 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0462	Asp-Leu / Asp-Ile [(M-H)]-	C10H17N2O5	246.122125	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0463	Glu-Val [(M-H)]-	C10H17N2O5	246.122125	C18rt(min)=4.4 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ014457	1(10),11(13)-Eremophiladien-12,8-olide, 3-Oxo 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014458	1(10),3,11(13)-Guaiatrien-12,6-olide, 3?,4?-Epoxide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014459	1,10-Epoxy-3,11(13)-guaiadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014460	1,8-Epoxy-4,11(13)-guaiadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014461	1-Hydroxy-1,3,5,8,10-bisabolapentaen-15-oic acid, 2-Hydroxy, 15-aldehyde 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014462	1-Hydroxy-2(9),6-hirsutadiene-5,10-dione; 1?-form 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014463	1-Hydroxy-2,4(15),11(13)-eudesmatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014464	1-Hydroxy-3,9,11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014465	1-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 1-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014466	1-Hydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro, 1-ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014467	1-Hydroxy-4-oxo-2,5,10-bisabolatrien-12-al, 1-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014468	1-Oxo-2,4-eudesmadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014469	1-Oxo-4(15),7(11)-eremophiladien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014470	1-Oxo-4,10(14),11(13)-germacratrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014471	1-Oxo-4,10(14),11-germacratrien-15,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014472	13-Deoxyisoonoceriolide; 6?-Hydroxy 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014473	14-Oxo-1(10),4,11(13)-germacratrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014474	15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Aldehyde 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014475	15-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 15-Aldehyde 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014476	2,10-Dihydroxy-4(15),6,8-hirsutatrien-5-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014477	2,3-Epoxy-4(15)-guaien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014478	2,5-Cuparadiene-1,4,10-trione 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014479	2,9:5,14-Diepoxy-5,7(14)-lactaradien-8-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014480	2-Hydroxy-1,4,6-eudesmatriene-3,8-dione 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014481	2-Hydroxy-15-nor-1,4,6-eudesmatriene-3,8-dione; Me ether 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014482	2-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014483	2-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 2-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014484	2-Hydroxy-5,11(13)-eudesmadien-12,8-olide, 2-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014485	2-Oxo-1(10),11(13)-eremophiladien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014486	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014487	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014488	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 2?-Alcohol 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014489	2-Oxo-1(10),3,11(13)-guaiatrien-12-oic acid; 5?-form 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014490	2-Oxo-1(10),3,5-guaiatrien-2-oic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014491	2-Oxo-1(5),3,11(13)-xanthatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014492	2-Oxo-1(5)-guaien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014493	2-Oxo-1,2-seco-1(10),3,8-germacratrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014494	2-Oxo-3,5-guaiadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014495	3,4,4a,5-Tetrahydro-3-hydroxy-2,2-dimethylnaphtho[1,2-b]pyran-6(2H)-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014496	3,4-Dihydro-3,4-dihydroxy-2-(3-methyl-2-butenyl)-1(2H)-naphthalenone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014497	3,4-Epoxy-1,11(13)-eudesmadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014498	3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014499	3-(3,4-Dihydroxyphenyl)-2-propenal, 3'-Me ether, 4'-O-(3-methyl-2-butenyl) 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014500	3-(4-Hydroxyphenyl)-2-propenoic acid, O-(3-Methyl-2-butenyl), Me ester 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014501	3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014502	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014503	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014504	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12-oic acid, 3-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014505	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014506	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014507	3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014508	3-Hydroxy-4(15),9,11(13)-guaiatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014509	3-Oxo-1,11(13)-eudesmadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014510	3-Oxo-1,11(13)-guaiadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014511	3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 11?,13-Dihydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014512	3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 4?,15-Dihydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014513	3-Oxo-1,4(15)-eudesmadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014514	3-Oxo-1,4,11(13)-eudesmatrien-12,8-olide, 11?,13-Dihydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014515	3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014516	3-Oxo-1,4-eudesmadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014517	3-Oxo-1,5-eudesmadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014518	3-Oxo-1,7(11)-eremophiladien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014519	3-Oxo-1,7(11)-eudesmadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014520	3-Oxo-1,9,11(13)-eremophilatrien-12-oic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014521	3-Oxo-4(15),10(14)-guaiadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014522	3-Oxo-4,11(13)-eudesmadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014523	3-Oxo-4,11(13)-guaiadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014524	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014525	3-Oxo-5(10),6-pinguisadien-11,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014526	3-Oxo-9-guaien-12,6-olide, 11,13-Didehydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014527	4(15),10(14),11(13)-Guaiatrien-12,6-olide, 11?,13-Epoxide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014528	4(15),9,11(13)-Guaiatrien-12,6-olide, 4?,15-Epoxide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014529	4(15),9,11(13)-Guaiatrien-12,6-olide, 9?,10?-Epoxide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014530	4,15-Epoxyfuranoeremophil-1(10)-en-6-ol 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014531	4,5-Epoxy-10(14),11(13)-guaiadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014532	4,5-Secofuranoeremophila-5,9-dien-4-one; 1-Hydroxy, cyclic hemiacetal 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014533	4,5-Secofuranoeremophila-5,9-dien-4-one; 1?-Hydroxy 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014534	4,5:8,12-Diepoxy-1(10),7,11-germacratrien-6-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014535	4,8-Dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoic acid, Me ester 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014536	4-Hydroxy-2,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014537	4-Hydroxy-7,9,11(13)-daucatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014538	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014539	4-Oxo-1,11(13)-pseudoguaiadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014540	4-Oxo-2,11(13)-pseudoguaiadien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014541	4-Oxo-2,11(13)-pseudoguaiadien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014542	4-[4-Methyl-5-(4-methyl-2-furanyl)-4-pentenyl]-2(5H)-furanone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014543	5,14-Epoxy-2,5,7(14)-illudalatrien-4-oic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014544	5,7-Dihydroxy-2,2-dimethyl-6-vinylchromene; Di-Me ether 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014545	5,7-Dihydroxy-2,2-dimethyl-8-vinyl-2H-1-benzopyran; Di-Me ether 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014546	5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014547	5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene, 4-O-(3-methyl-2-butenyl) 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014548	5-Hydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide, 5-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014549	5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014550	5-Hydroxy-4(15),7(11),8-eudesmatrien-12,8-olide; 5?-form 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014551	5-Oxojasoniolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014552	6,11-Epoxy-5,10-pinguisadien-15,12-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014553	6,12-Epoxy-6,9,11-pseudoguaiatrien-8-one, 9?,10?-Epoxide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014554	6-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014555	6-Hydroxyfuranoeremophil-1(10)-en-9-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014556	6-Hydroxyfuranoeremophil-9-en-1-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014557	6-Hydroxyfuranoeremophilan-9-one, 6-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014558	7,11-Chiloscyphadiene-2,7,9-trione 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014559	7-(3-Furanyl)-3,9-dimethyl-1-oxaspiro[4.5]dec-6-en-2-one 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014560	7-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014561	7-Hydroxy-9-oxo-1,3,5,10-bisabolatetraen-15-al 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014562	7-Oxo-5,8-drimadien-11,12-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014563	8,12-Epoxy-1(10),4,7,11-germacratetraen-15-oic acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014564	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014565	8-Hydroxy-1,4(15),7(11)-eudesmatrien-12,8-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014566	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014567	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014568	8-Hydroxypegolettiolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014569	8-Oxo-1(10),4,11(13)-germacratrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014570	8-Oxo-1(10),4,7(11)-germacratrien-12,6-olide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014571	9,11(13)-Eremophiladien-12,8-olide, 3-Oxo 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014572	9-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 9-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014573	9-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 9-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014574	?-Cannabispiranol; 2,3-Didehydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014575	?-Cannabispiranol; 4-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014576	Aquatolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014577	Asteriscanolide; 6,7,9,10-Tetradehydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014578	Asteriscunolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014579	Athanasin 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014580	Bullerone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014581	Cacalolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014582	Cacalone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014583	Calomelanolactone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014584	Chanootin 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014585	Chloranthalactone D 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014586	Cinariolide; 6,14-Epoxide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014587	Citreobenzofuran B 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014588	Curcolone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014589	Cybrodol, 1,1'-Dialdehyde 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014590	Drupanin; Me ester 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014591	Freelingnite 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014592	Furanoeremophilan-14,6-olide; 6?-form 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014593	Hanegoketrial 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014594	Hibiscone A; 9-Oxo 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014595	Illicinone A 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014596	Ipomeabisfuran 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014597	Irofulven 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014598	Isocannabispiran 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014599	Isofischeric acid 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014600	Isolinderalactone; 3,4?-Dihydro 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014601	Lacinilene B 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014602	Lacinilene C 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014603	Lagopodin A 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014604	Lasiosperman; 4-Oxo 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014605	Liguhodgsonal, 15-Carboxylic acid, Me ester 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014606	Loxoprofen 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014607	Lumisantonin 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014608	Manicol 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014609	Melicophyllone A 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014610	Morinin A 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014611	Nidulol; 5-Ketone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014612	Parvifloral 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014613	Pleurotellol 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014614	Ratibinolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014615	Ryomenin 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014616	Shizukanolide; 13-Hydroxy 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014617	Smyrnicordiolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014618	Spirafolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014619	Tricycloillicinone 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014620	Virgauride 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014621	Virgauronin 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014622	Xanthipungolide 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014623	Yantianmasu A 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014624	Yantianmasu B 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014625	Yantianmasu C 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MJ014626	Zedoarol 	C15H18O3	246.125594	NA	MeJP	NA	NA
+MetaCyc02245	&alpha;-santonin []	C15H18O3	246.125594	481-06-1	metacyc	NA	NA
+C02206	alpha-Santonin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09287	Achillin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09292	Ambrosin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09300	Aromaticin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09394	Desacetoxymatricarin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09476	7alpha-Hydroxydehydrocostus lactone	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09545	beta-Santonin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09601	Xanthatin	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09605	Xerantholide	C15H18O3	246.1256	NA	KEGG	NA	NA
+C09606	Zaluzanin C	C15H18O3	246.1256	NA	KEGG	NA	NA
+C17085	Zederone	C15H18O3	246.1256	NA	KEGG	NA	NA
+C17490	Zedoarol	C15H18O3	246.1256	NA	KEGG	NA	NA
+C17912	Isozaluzanin C	C15H18O3	246.1256	NA	KEGG	NA	NA
+C04137	N2-(D-1-Carboxyethyl)-L-arginine	C9H18N4O4	246.1328	NA	KEGG	NA	NA
+C06655	L-N2-(2-Carboxyethyl)arginine	C9H18N4O4	246.1328	NA	KEGG	NA	NA
+MJ014627	Arginine, N2-(2-Carboxyethyl) 	C9H18N4O4	246.132805	NA	MeJP	NA	NA
+MJ014628	Octopine 	C9H18N4O4	246.132805	NA	MeJP	NA	NA
+MJ014629	N2-(2-Carboxyethyl)arginine 	C9H18N4O4	246.132805	NA	MeJP	NA	NA
+MJ014630	N2-(D-1-Carboxyethyl)-L-arginine 	C9H18N4O4	246.132805	NA	MeJP	NA	NA
+MetaCyc02246	L-N2-(2-carboxyethyl)arginine []	C9H18N4O4	246.132805	NA	metacyc	NA	NA
+MetaCyc02247	D-octopine [N2-(1-Carboxyethyl)-L-arginine;Arginine, N2-(1-carboxyethyl)-, L-arginine;D-(+)-Octopine;N2-(1-carboxyethyl)-, (R)-L-arginine;N2-[(1R)-1-carboxyethyl]-L-Arginine;Octopine;N2-(D-1-carboxyethyl)-L-arginine;]	C9H18N4O4	246.132805	34522-32-2	metacyc	NA	NA
+C09213	Hypaphorine	C14H18N2O2	246.1368	NA	KEGG	NA	NA
+MJ014631	6,7-Dihydroxy-1-methyl-?-carboline; 1R,2,3,4-Tetrahydro, di-Me ether 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014632	Camoensine; 12?-Hydroxy 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014633	Hypaphorine 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014634	N-[2-(2,3,7,8-Tetrahydro-1H-furo[2,3-g]indol-1-yl)ethyl]acetamide 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014635	Nefiracetam 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014636	Parsalmide 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014637	Quinprenaline 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+MJ014638	Tryptophan, Na,Na-Di-Me, Me ester 	C14H18N2O2	246.136827	NA	MeJP	NA	NA
+C02628	2-Deoxystreptidine	C8H18N6O3	246.144	NA	KEGG	NA	NA
+HMDB00413	3-Hydroxydodecanedioic acid	C12H22O5	246.14671	http://www.hmdb.ca/metabolites/HMDB00413	HMDB	NA	NA
+HMDB00413	3-Hydroxydodecanedioic acid	C12H22O5	246.14671	HMDB00413	PFEM_hmdb_metabocards_official	NA	NA
+MJ014639	2,6-Dideoxy-3-C-methyl-ribo-hexose, 4-(3-Methylbutanoyl) 	C12H22O5	246.146723	NA	MeJP	NA	NA
+MJ014640	Malic acid, Dibutyl ester 	C12H22O5	246.146723	NA	MeJP	NA	NA
+MJ014641	Narbosine A 	C12H22O5	246.146723	NA	MeJP	NA	NA
+HMDB00413	3-Hydroxydodecanedioic acid	C12H22O5	246.146729	NA	HMDB2010	NA	NA
+MJ014642	6,7-Diisopropyl-2,4-pteridinediamine 	C12H18N6	246.159294	NA	MeJP	NA	NA
+MJ014643	11-Hexadecene-7,9-diynoic acid 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014644	2-(2-Butenyl)benzenehexanoic acid 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014645	2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014646	2-Hydroxy-1,4,6-eudesmatrien-3-one; Me ether 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014647	3,8-Calamenenediol, 8-Ketone, 3-Me ether 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014648	4,7,10,13-Hexadecatetraen-15-olide 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014649	8,12-Epoxy-1(10),4,7,11-germacratetraen-2-ol, Me ether 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014650	Aspergeigeric acid; Me ester 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014651	Chamaecynenol; Ac 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014652	Gloeophyllol B 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014653	Mexoprofen 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014654	Nidorellaurinic acid; Me ester 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014655	Primnatrienone; 6-Methoxy 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014656	Pterosin Z; 4-Me ether 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014657	Shogaol; Demethoxy 	C16H22O2	246.161979	NA	MeJP	NA	NA
+MJ014658	Sporochnol C 	C16H22O2	246.161979	NA	MeJP	NA	NA
+C10793	Geranylhydroquinone	C16H22O2	246.162	NA	KEGG	NA	NA
+CJpos0620	Isovalerylcarnitine [(M+H)]+ (13C)	C1113CH24NO4	246.165475	C18rt(min)=5.65 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0621	2-methylbutyroylcarnitine [(M+H)]+ (13C)	C1113CH24NO4	246.165475	C18rt(min)=5.55 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0620	Isovalerylcarnitine [(M+H)]+ (13C)	C1113CH24NO4	246.165475	C18rt(min)=5.65 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0621	2-methylbutyroylcarnitine [(M+H)]+ (13C)	C1113CH24NO4	246.165475	C18rt(min)=5.55 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C07528	Mepivacaine	C15H22N2O	246.1732	NA	KEGG	NA	NA
+C10764	5,6-Dehydrolupanine	C15H22N2O	246.1732	NA	KEGG	NA	NA
+C10775	Multiflorine	C15H22N2O	246.1732	NA	KEGG	NA	NA
+MJ014659	3-(2-Pyrrolidinyl)pyridine, N-Hexanoyl 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014660	5,6-Dehydrolupanine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014661	Alkaloid LC2 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014662	Alkaloid LV1 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014663	Aphyllidine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014664	Darvasine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014665	Isoleontalbine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014666	Lehmannine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014667	Leontalbine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014668	Leontalbinine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014669	Lupinus Alkaloid P1 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014670	Mepivacaine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014671	Milnacipran 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014672	Monspessulanine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014673	Multiflorine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014674	Piquindone 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014675	Sophocarpine 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014676	Virgilidone; Didehydro, N-(3-Butenyl) 	C15H22N2O	246.173213	NA	MeJP	NA	NA
+MJ014677	Quinelorane 	C14H22N4	246.184446	NA	MeJP	NA	NA
+MJ014678	1,4,9-Heptadecatrien-6-yn-3-ol 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014679	14,15,16-Trinor-8(17),11-labdadien-13-al 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014680	16-Heptadecene-4,6-diyn-8-ol 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014681	2-(1,12-Tridecadienyl)furan 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014682	2-(12-Tridecynyl)furan 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014683	2-(2,12-Tridecadienyl)furan 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014684	8,10,12,14-Heptadecatetraen-1-al 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014685	9-Heptadecene-4,6-diyn-1-ol 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014686	9-Heptadecene-4,6-diyn-8-ol 	C17H26O	246.198365	NA	MeJP	NA	NA
+MJ014687	14-Fluorotetradecanoic acid 	C14H27FO2	246.199508	NA	MeJP	NA	NA
+MJ014688	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Dideoxy, 1',2'-didehydro 	C16H26N2	246.209598	NA	MeJP	NA	NA
+MJ014689	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Dideoxy, 2',3'-didehydro 	C16H26N2	246.209598	NA	MeJP	NA	NA
+MJ014690	Aloperine; N-Me 	C16H26N2	246.209598	NA	MeJP	NA	NA
+MJ014691	Lycoserrine 	C16H26N2	246.209598	NA	MeJP	NA	NA
+MJ014692	Macleanine 	C16H26N2	246.209598	NA	MeJP	NA	NA
+MJ014693	Pimetine 	C16H26N2	246.209598	NA	MeJP	NA	NA
+HMDB03542	Dodecylbenzene	C18H30	246.23476	http://www.hmdb.ca/metabolites/HMDB03542	HMDB	NA	NA
+HMDB03542	Dodecylbenzene	C18H30	246.23476	HMDB03542	PFEM_hmdb_metabocards_official	NA	NA
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR400	Calcitriol F5	NA	246.236675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR400	Calcitriol F5	NA	246.236675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR400	Calcitriol F5	NA	246.236675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR400	Calcitriol F5	NA	246.236675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR400	Calcitriol F5	F5	246.236675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+3287	NA	RGDF	246.60845	MH2+	Inhouse_peptide	NA	peptide
+7696	ACE inhibitor from wakame	AIYK	246.639	MH2+	Inhouse_peptide	NA	peptide
+MJ014694	6-Bromo-5-chloro-2(3H)-benzoxazolone 	C7H3BrClNO2	246.903568	NA	MeJP	NA	NA
+MJ014695	(4-Nitrophenyl)arsonic acid 	C6H6AsNO5	246.946193	NA	MeJP	NA	NA
+C04205	N-(3,4-Dichlorophenyl)-malonamate	C9H7Cl2NO3	246.9803	NA	KEGG	NA	NA
+MJ014696	N-Phosphotaurocyamine 	C3H10N3O6PS	247.002792	NA	MeJP	NA	NA
+MetaCyc02248	N&omega;-phosphohypotaurocyamine [[phosphonoamino-(2-sulfoethylamino)methylene]ammonium;]	C3H10N3O6P1S1	247.002792	NA	metacyc	NA	NA
+MetaCyc02249	N-phosphotaurocyamine [taurocyamine phosphate;N(&omega;)-phosphotaurocyamine;]	C3H10N3O6P1S1	247.002792	NA	metacyc	NA	NA
+C03149	N-Phosphotaurocyamine	C3H10N3O6PS	247.0028	NA	KEGG	NA	NA
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	HMDB	NA	NA
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	Inhouse_PFEM	NA	NA
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC021	Pyridoxal phosphate	NA	247.0238	RT5.9	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01491	Pyridoxal 5'-phosphate	C8H10NO6P	247.024567	NA	HMDB2010	NA	NA
+HMDB01491	Pyridoxal 5'-phosphate	C8H10NO6P	247.02457	http://www.hmdb.ca/metabolites/HMDB01491	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01491	Pyridoxal 5'-phosphate	C8H10NO6P	247.02457	http://www.hmdb.ca/metabolites/HMDB01491	HMDB	NA	NA
+HMDB01491	Pyridoxal 5'-phosphate	C8H10NO6P	247.02457	http://www.hmdb.ca/metabolites/HMDB01491	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01491	Pyridoxal 5'-phosphate	C8H10NO6P	247.02457	HMDB01491	PFEM_hmdb_metabocards_official	NA	NA
+MJ014697	Pyridoxal phosphate 	C8H10NO6P	247.024573	NA	MeJP	NA	NA
+MetaCyc02250	pyridoxal 5'-phosphate [PLP;pyridoxal phosphate;pyridoxal-5P;pyridoxal 5-phosphate;pyridoxal-P;]	C8H10N1O6P1	247.024574	54-47-7	metacyc	NA	NA
+EUR071	vitamin B6	C8H10NO6P	247.0246	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR071	vitamin B6	C8H10NO6P	247.0246	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR071	vitamin B6	C8H10NO6P	247.0246	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR071	vitamin B6	C8H10NO6P	247.0246	Wishlist	Inhousejuil11	NA	NA
+C00018	Pyridoxal phosphate	C8H10NO6P	247.0246	NA	KEGG	NA	NA
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR296	Vitamine B6 F1	NA	247.027375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR296	Vitamine B6 F1	NA	247.027375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR296	Vitamine B6 F1	NA	247.027375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR296	Vitamine B6 F1	NA	247.027375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR296	Vitamin B6 	C8H10NO6P	247.027375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C11290	3-Chlorosalicylanilide	C13H10ClNO2	247.04	NA	KEGG	NA	NA
+C11291	Transferred to D01060	C13H10ClNO2	247.04	NA	KEGG	NA	NA
+MJ014698	Zyzzin; 3,4-Dihydro, 4-hydroxy 	C11H9N3O2S	247.041547	NA	MeJP	NA	NA
+MJ014699	Emtricitabine 	C8H10FN3O3S	247.04269	NA	MeJP	NA	NA
+C12599	Emtricitabine	C8H10FN3O3S	247.0427	NA	KEGG	NA	NA
+CJneg0464	Hippuric acid [(M-H)+(HCOONa)]-	C10H9NNaO5	247.046225	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0464	Hippuric acid [(M-H)+(HCOONa)]-	C10H9NNaO5	247.046225	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ014700	Zoniclezole 	C12H10ClN3O	247.051239	NA	MeJP	NA	NA
+MetaCyc02251	CPPU [N-(2-chloro-4-pyridyl)-N'-phenylurea;]	C12H10N3O1CL1	247.05124	NA	metacyc	NA	NA
+MJ014701	1-(3,4-Dichlorophenyl)-2-(isopropylamino)ethanol 	C11H15Cl2NO	247.053069	NA	MeJP	NA	NA
+C11772	DCI	C11H15Cl2NO	247.0531	NA	KEGG	NA	NA
+MJ014702	Nifurvidine 	C11H9N3O4	247.059305	NA	MeJP	NA	NA
+MJ014703	Tinidazole 	C8H13N3O4S	247.062676	NA	MeJP	NA	NA
+C14406	3-Nitrofluoranthene	C16H9NO2	247.0633	NA	KEGG	NA	NA
+C14421	1-Nitropyrene	C16H9NO2	247.0633	NA	KEGG	NA	NA
+C05931	N-Succinyl-L-glutamate	C9H13NO7	247.0692	NA	KEGG	NA	NA
+MJ014704	5(4H)-Isoxazolone; 2H-Oxo-form, N-?-D-Glucopyranosyl 	C9H13NO7	247.069201	NA	MeJP	NA	NA
+MJ014705	Glutamic acid, N-(3-Carboxypropanoyl) 	C9H13NO7	247.069201	NA	MeJP	NA	NA
+MJ014706	N2-Succinyl-L-glutamate 	C9H13NO7	247.069201	NA	MeJP	NA	NA
+MetaCyc02252	N2-succinylglutamate [N2-Succinyl-L-glutamate;N2-succinylglutamatic acid;N2-succinylglutamic acid;]	C9H13N1O7	247.069202	33981-72-5	metacyc	NA	NA
+PJ000089	ND 	C8H13N3O6	247.0804	NA	PeJP	NA	NA
+PJ000090	GGD 	C8H13N3O6	247.0805	NA	PeJP	NA	NA
+CJpos0622	Phenylacetylglutamine [(M+H)-(NH3)]+	C13H14NO4	247.083875	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0622	Phenylacetylglutamine [(M+H)-(NH3)]+	C13H14NO4	247.083875	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ014707	Mimosamycin; O7-De-Me, O7-Et 	C13H13NO4	247.084457	NA	MeJP	NA	NA
+CJpos0623	Cinnamoylglycine [(M+H)+(CH3CN)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=7.03 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0624	N-Acetyltryptophan isomer [(M+H)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=7 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0625	N-Acetyltryptophan isomer [(M+H)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=5.75 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0626	Phenylacetylglutamine [(M+H)-(H2O)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0623	Cinnamoylglycine [(M+H)+(CH3CN)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=7.03 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0624	N-Acetyltryptophan isomer [(M+H)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=7 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0625	N-Acetyltryptophan isomer [(M+H)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=5.75 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0626	Phenylacetylglutamine [(M+H)-(H2O)]+ (13C)	C1213CH15N2O3	247.103275	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0465	N-Acetyltryptophan isomer [(M-H)]- (13C)	C1213CH13N2O3	247.104325	C18rt(min)=7 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0465	N-Acetyltryptophan isomer [(M-H)]- (13C)	C1213CH13N2O3	247.104325	C18rt(min)=7 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+7834	ACE inhibitor	TQ	247.105	immunomodulating	Inhouse_peptide	NA	peptide
+MJ014708	2-Hydroxy-2-methylpropanoic acid; Nitrile, O-?-D-glucopyranoside 	C10H17NO6	247.105587	NA	MeJP	NA	NA
+MetaCyc02253	linamarin []	C10H17N1O6	247.105587	554-35-8	metacyc	NA	NA
+HMDB02095	Malonylcarnitine	C10H17NO6	247.10559	http://www.hmdb.ca/metabolites/HMDB02095	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02095	Malonylcarnitine	C10H17NO6	247.10559	http://www.hmdb.ca/metabolites/HMDB02095	HMDB	NA	NA
+HMDB02095	Malonylcarnitine	C10H17NO6	247.10559	NA  ;SYN:beta-2-Amino-4-methylvaleric acid; L-beta-Leucine; beta-LeucineH2Blood	Inhouse_peptide	NA	peptide
+HMDB02095	Malonylcarnitine	C10H17NO6	247.10559	http://www.hmdb.ca/metabolites/HMDB02095	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02095	Malonylcarnitine	C10H17NO6	247.10559	HMDB02095	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02095	Malonylcarnitine	C10H17NO6	247.105591	NA	HMDB2010	NA	NA
+C01594	Linamarin	C10H17NO6	247.1056	NA	KEGG	NA	NA
+MJ014709	1-Isothiocyanato-9-(methylsulfinyl)nonane 	C11H21NOS2	247.106455	NA	MeJP	NA	NA
+MJ014710	Carbovir 	C11H13N5O2	247.106924	NA	MeJP	NA	NA
+MJ014711	Semustine 	C10H18ClN3O2	247.108754	NA	MeJP	NA	NA
+C07640	Methyl-CCNU	C10H18ClN3O2	247.1088	NA	KEGG	NA	NA
+PJ000091	TQ 	C9H17N3O5	247.1168	NA	PeJP	NA	NA
+C10455	Fagaramide	C14H17NO3	247.1208	NA	KEGG	NA	NA
+MJ014712	8-Azabicyclo[3.2.1]octane-2,3-diol, 2-Benzoyl 	C14H17NO3	247.120843	NA	MeJP	NA	NA
+MJ014713	8-Azabicyclo[3.2.1]octane-3,6-diol, O3-Benzoyl 	C14H17NO3	247.120843	NA	MeJP	NA	NA
+MJ014714	Fagaramide 	C14H17NO3	247.120843	NA	MeJP	NA	NA
+MJ014715	Phyllanthine 	C14H17NO3	247.120843	NA	MeJP	NA	NA
+CJpos0627	Asp-Leu Asp-Ile [(M+H)]+ (13C)	C913CH19N2O5	247.124375	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0628	Glu-Val [(M+H)]+ (13C)	C913CH19N2O5	247.124375	C18rt(min)=4.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0627	Asp-Leu § Asp-Ile [(M+H)]+ (13C)	C913CH19N2O5	247.124375	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0628	Glu-Val [(M+H)]+ (13C)	C913CH19N2O5	247.124375	C18rt(min)=4.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0466	Asp-Leu / Asp-Ile [(M-H)]- (13C)	C913CH17N2O5	247.125525	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0467	Glu-Val [(M-H)]- (13C)	C913CH17N2O5	247.125525	C18rt(min)=4.4 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0466	Asp-Leu / Asp-Ile [(M-H)]- (13C)	C913CH17N2O5	247.125525	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0467	Glu-Val [(M-H)]- (13C)	C913CH17N2O5	247.125525	C18rt(min)=4.4 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ014716	12-Cytisineacetic acid; Amide 	C13H17N3O2	247.132076	NA	MeJP	NA	NA
+MJ014717	Parbendazole 	C13H17N3O2	247.132076	NA	MeJP	NA	NA
+HMDB13127	Hydroxybutyrylcarnitine	C11H21NO5	247.141968	NA	HMDB2010	NA	NA
+MJ014718	Peramine 	C12H17N5O	247.14331	NA	MeJP	NA	NA
+PJ000092	TK 	C10H21N3O4	247.1532	NA	PeJP	NA	NA
+C07128	Meperidine	C15H21NO2	247.1572	NA	KEGG	NA	NA
+C11792	Ketobemidone	C15H21NO2	247.1572	NA	KEGG	NA	NA
+C14167	beta-Eucaine	C15H21NO2	247.1572	NA	KEGG	NA	NA
+MJ014719	2,2,6-Trimethyl-4-piperidinol, O-Benzoyl 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014720	3,3,5-Trimethylcyclohexanol, 3-Pyridinecarboxylate 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014721	4-(3,7-Dimethyl-2,6-octadienyl)-1H-pyrrole-2-carboxylic acid 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014722	Antibiotic NG 311 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014723	Ciclafrine 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014724	Indenolol 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014725	Isomolpan 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014726	Ketobemidone 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014727	Manicoline A 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014728	Naxagolide 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014729	Pethidine 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014730	Phlegmariurine A 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014731	Phlegmariurine B 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014732	Prodilidine 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014733	Tolpronine 	C15H21NO2	247.157228	NA	MeJP	NA	NA
+MJ014734	4-(1-Aminoethyl)-N-4-pyridinylcyclohexanecarboxamide 	C14H21N3O	247.168462	NA	MeJP	NA	NA
+C09883	Lycopodine	C16H25NO	247.1936	NA	KEGG	NA	NA
+C17091	alpha-Sanshool	C16H25NO	247.1936	NA	KEGG	NA	NA
+MJ014735	1-(5-Methyl-3-pyridinyl)-1-decanone 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014736	10-Isocyano-5-cadinen-4-ol 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014737	2,4,8,10-Dodecatetraenoic acid; N-Isobutylamide 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014738	2,4,8,11-Dodecatetraenoic acid, 2-Methylpropylamide 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014739	2,6,8,10-Dodecatetraenoic acid, 2-Methylpropylamide 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014740	5,15-Oxidolycopodane 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014741	6-Amino-5,6,7,8-tetrahydro-1-naphthalenol, N,N-Dipropyl 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014742	7-Amino-5,6,7,8-tetrahydro-1-naphthalenol, N,N-Dipropyl 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014743	7-Amino-5,6,7,8-tetrahydro-2-naphthalenol, N,N-Dipropyl 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014744	7-Isocyanato-2,10-bisaboladiene 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014745	Axamide 1; 7,11-Didehydro 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014746	Butidrine 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014747	Fawcettidine; 5?-Alcohol 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014748	Lycopecurine 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014749	Lycopodine 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014750	Muscopyridine, 11-Hydroxy 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014751	Muscopyridine, 2-Hydroxy 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014752	Paniculine; Deacetoxy, 4,5-didehydro 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014753	Picenadol 	C16H25NO	247.193614	NA	MeJP	NA	NA
+MJ014754	Ptilocaulin 	C15H25N3	247.204847	NA	MeJP	NA	NA
+MJ014755	3-Dodecylpyridine 	C17H29N	247.229999	NA	MeJP	NA	NA
+MJ014756	1,1-Dibromo-1-chloro-2-propanone 	C3H3Br2ClO	247.823917	NA	MeJP	NA	NA
+MJ014757	1,1-Dibromo-3-chloro-2-propanone 	C3H3Br2ClO	247.823917	NA	MeJP	NA	NA
+MJ014758	1,3-Dibromo-1-chloro-2-propanone 	C3H3Br2ClO	247.823917	NA	MeJP	NA	NA
+C18141	Pentachlorobenzene	C6HCl5	247.8521	NA	KEGG	NA	NA
+MJ014759	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; Nitrile 	C5H2Br2N2	247.858473	NA	MeJP	NA	NA
+C06189	Cyclic 2,3-bisphospho-D-glycerate	C3H6O9P2	247.9487	NA	KEGG	NA	NA
+MJ014760	Cyclic 2,3-bisphospho-D-glycerate 	C3H6O9P2	247.948704	NA	MeJP	NA	NA
+C04323	3,5-Dichloro-4-hydroxyphenylpyruvate	C9H6Cl2O4	247.9643	NA	KEGG	NA	NA
+C08460	alpha-Terthienyl	C12H8S3	247.9788	NA	KEGG	NA	NA
+MJ014761	2,2':5',2''-Terthiophene 	C12H8S3	247.978812	NA	MeJP	NA	NA
+MJ014762	5'-(1-Propynyl)[2,2'-bithiophene]-5-carboxylic acid 	C12H8O2S2	247.99657	NA	MeJP	NA	NA
+MJ014763	2-Bromo-3-(chloromethylene)-7-methyl-1,6-octadiene 	C10H14BrCl	247.99674	NA	MeJP	NA	NA
+MJ014764	3-(Bromomethylene)-2-chloro-7-methyl-1,6-octadiene 	C10H14BrCl	247.99674	NA	MeJP	NA	NA
+MJ014765	6-(Bromomethylene)-3-chloro-2-methyl-1,7-octadiene 	C10H14BrCl	247.99674	NA	MeJP	NA	NA
+MJ014766	6-Bromo-2-chloro-7-methyl-3-methylene-1,6-octadiene 	C10H14BrCl	247.99674	NA	MeJP	NA	NA
+MJ014767	6-Bromo-8-chloro-1,3-ochtodiene 	C10H14BrCl	247.99674	NA	MeJP	NA	NA
+MJ014768	2,3,5-Tris(methylthio)-1,4-benzenediol 	C9H12O2S3	247.999941	NA	MeJP	NA	NA
+C14404	4-(2,4-Dichlorophenoxy)butyric acid	C10H10Cl2O3	248.0007	NA	KEGG	NA	NA
+MJ014769	1-Chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyn-2-ol 	C13H9ClOS	248.006263	NA	MeJP	NA	NA
+MJ014770	1-Chloro-6-[5-(1-propynyl)-2-thienyl]-3,5-hexadiyn-2-ol 	C13H9ClOS	248.006263	NA	MeJP	NA	NA
+MJ014771	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Chloro 	C13H9ClOS	248.006263	NA	MeJP	NA	NA
+MJ014772	6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyn-1-ol; 2-Chloro 	C13H9ClOS	248.006263	NA	MeJP	NA	NA
+C11007	Linuron	C9H10Cl2N2O2	248.0119	NA	KEGG	NA	NA
+MJ014773	Tenosal 	C12H8O4S	248.014329	NA	MeJP	NA	NA
+MJ014774	Unsym-bis(4'-chlorophenyl)ethylene 	C14H10Cl2	248.015955	NA	MeJP	NA	NA
+C06642	unsym-Bis(4'-chlorophenyl)ethylene	C14H10Cl2	248.016	NA	KEGG	NA	NA
+C15083	1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene	C14H10Cl2	248.016	NA	KEGG	NA	NA
+MJ014775	2-Hydroxy-4-(trifluoromethyl)benzoic acid; Ac 	C10H7F3O4	248.029643	NA	MeJP	NA	NA
+MJ014776	2-Acetyl-3,5,8-trihydroxy-1,4-naphthoquinone 	C12H8O6	248.032087	NA	MeJP	NA	NA
+MJ014777	2-Carboxyethenyl-5,7-dihydroxychromone 	C12H8O6	248.032087	NA	MeJP	NA	NA
+MJ014778	6-Acetyl-2,5,7-trihydroxy-1,4-naphthoquinone 	C12H8O6	248.032087	NA	MeJP	NA	NA
+MJ014779	6-Acetyl-2,5,8-trihydroxy-1,4-naphthoquinone 	C12H8O6	248.032087	NA	MeJP	NA	NA
+MJ014780	Brevifolin 	C12H8O6	248.032087	NA	MeJP	NA	NA
+MJ014781	4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 2-Deoxy 	C13H12OS2	248.032956	NA	MeJP	NA	NA
+MJ014782	5'-(1-Butynyl)[2,2'-bithiophene]-5-methanol 	C13H12OS2	248.032956	NA	MeJP	NA	NA
+MJ014783	Choline; O-Nitrate, perchlorate 	C5H13ClN2O7	248.041128	NA	MeJP	NA	NA
+C04621	(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide	C11H8N2O5	248.0433	NA	KEGG	NA	NA
+C04622	(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide	C11H8N2O5	248.0433	NA	KEGG	NA	NA
+MJ014784	Nimazone 	C11H9ClN4O	248.046488	NA	MeJP	NA	NA
+MJ014785	Benz[b]indeno[1,2-e]pyran-6,11-dione 	C16H8O3	248.047344	NA	MeJP	NA	NA
+MetaCyc02254	pentane-1,3,4,5-tetracarboxylate []	C9H12O8	248.053217	NA	metacyc	NA	NA
+MJ014786	Indigoidin 	C10H8N4O4	248.054554	NA	MeJP	NA	NA
+MJ014787	Nitrefazole 	C10H8N4O4	248.054554	NA	MeJP	NA	NA
+C00647	Pyridoxamine phosphate	C8H13N2O5P	248.0562	NA	KEGG	NA	NA
+C00648	Thiol-blocking reagent	C8H13N2O5P	248.0562	NA	KEGG	NA	NA
+MJ014788	Pyridoxamine phosphate 	C8H13N2O5P	248.056208	NA	MeJP	NA	NA
+MJ014789	Pyridoxamine; 5'-Phosphate 	C8H13N2O5P	248.056208	NA	MeJP	NA	NA
+MetaCyc02255	pyridoxamine 5'-phosphate [pyridoxamine phosphate;]	C8H13N2O5P1	248.056208	529-96-4	metacyc	NA	NA
+HMDB01555	Pyridoxamine 5'-phosphate	C8H13N2O5P	248.05621	http://www.hmdb.ca/metabolites/HMDB01555	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01555	Pyridoxamine 5'-phosphate	C8H13N2O5P	248.05621	http://www.hmdb.ca/metabolites/HMDB01555	HMDB	NA	NA
+HMDB01555	Pyridoxamine 5'-phosphate	C8H13N2O5P	248.05621	http://www.hmdb.ca/metabolites/HMDB01555	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01555	Pyridoxamine 5'-phosphate	C8H13N2O5P	248.05621	HMDB01555	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01555	Pyridoxamine 5'-phosphate	C8H13N2O5P	248.056213	NA	HMDB2010	NA	NA
+MJ014790	Indolo[2,1-b]quinazoline-6,12-dione 	C15H8N2O2	248.058577	NA	MeJP	NA	NA
+C10742	Tryptanthrine	C15H8N2O2	248.0586	NA	KEGG	NA	NA
+C07666	Dapsone	C12H12N2O2S	248.0619	NA	KEGG	NA	NA
+MJ014791	3,3'-Diaminodiphenyl sulfide; S,S-Dioxide 	C12H12N2O2S	248.061948	NA	MeJP	NA	NA
+MJ014792	4,4'-Diaminodiphenyl sulfone 	C12H12N2O2S	248.061948	NA	MeJP	NA	NA
+MJ014793	Enoximone 	C12H12N2O2S	248.061948	NA	MeJP	NA	NA
+MJ014794	Phenylsulfamic acid; Anilide 	C12H12N2O2S	248.061948	NA	MeJP	NA	NA
+MJ014795	Sulfanilanilide 	C12H12N2O2S	248.061948	NA	MeJP	NA	NA
+MetaCyc02256	indole carboxyl tetrahydro-thiazole []	C12H12N2O2S1	248.061948	NA	metacyc	NA	NA
+HMDB11163	L-beta-aspartyl-L-aspartic acid	C8H12N2O7	248.064453	NA	HMDB2010	NA	NA
+PJ000093	DD 	C8H12N2O7	248.0645	NA	PeJP	NA	NA
+MJ014796	Lepidopterin 	C9H8N6O3	248.065788	NA	MeJP	NA	NA
+MJ014797	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 8,9-Epoxide, Ac, Me ester 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014798	2,5,7-Trihydroxy-6-methyl-1,4-naphthoquinone; 2,7-Di-Me ether 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014799	2,5-Dihydro-4-hydroxy-5-oxo-3-phenyl-2-furanpropanoic acid 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014800	2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone; 6,7-Di-Me ether 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014801	2-Acetyl-2,3-epoxy-4,8-dihydroxy-3-methyl-1-tetralone 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014802	4a,10a-Dihydro-7,9-dihydroxy-4-methyl-10H-pyrano[3,2-b][1]benzopyran-2-one 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014803	5,6,7-Trihydroxy-2-naphthoic acid; 5,7-Di-Me ether 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014804	5-(2,5-Dihydroxyphenyl)-3-furancarboxylic acid; 2'-Me ether, Me ester 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014805	5-Hydroxy-7-hydroxymethyl-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; 13-Aldehyde 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014806	6-Ethyl-2,5,7-trihydroxy-3-methyl-1,4-naphthoquinone 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014807	Acuminatolide 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014808	Arthropsolide D; 7,10-Diketone 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014809	Arthropsolide D; 8-Epimer, 7,10-diketone 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014810	Cassiachromone; 12-Hydroxy 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014811	Coriandrone E 	C13H12O5	248.068473	NA	MeJP	NA	NA
+MJ014812	Neuchromenin 	C13H12O5	248.068473	NA	MeJP	NA	NA
+CJpos0629	Porphobilinogen [(M+Na)]+	C10H14N2NaO4	248.076775	C18rt(min)=4.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0629	Porphobilinogen [(M+Na)]+	C10H14N2NaO4	248.076775	C18rt(min)=4.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06878	S-Acetyldihydrolipoamide-E	C10H18NO2S2	248.0779	http://www.hmdb.ca/metabolites/HMDB06878	HMDB	NA	NA
+HMDB06878	S-Acetyldihydrolipoamide-E	C10H18NO2S2	248.0779	HMDB06878	PFEM_hmdb_metabocards_official	NA	NA
+C05832	5-Hydroxyindoleacetylglycine	C12H12N2O4	248.0797	NA	KEGG	NA	NA
+MJ014813	Mimosamycin; 4-Amino 	C12H12N2O4	248.079706	NA	MeJP	NA	NA
+MJ014814	5-Hydroxyindoleacetylglycine 	C12H12N2O4	248.079706	NA	MeJP	NA	NA
+HMDB04185	5-Hydroxyindoleacetylglycine	C12H12N2O4	248.07971	http://www.hmdb.ca/metabolites/HMDB04185	HMDB	NA	NA
+HMDB04185	5-Hydroxyindoleacetylglycine	C12H12N2O4	248.07971	HMDB04185	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04185	5-Hydroxyindoleacetylglycine	C12H12N2O4	248.079712	NA	HMDB2010	NA	NA
+MJ014815	Pyrimethamine 	C12H13ClN4	248.082874	NA	MeJP	NA	NA
+C07391	Pyrimethamine	C12H13ClN4	248.0829	NA	KEGG	NA	NA
+C07392	Transferred to D00489	C12H13ClN4	248.0829	NA	KEGG	NA	NA
+MJ014816	3-Benzoyl-1(4H)-naphthalenone 	C17H12O2	248.083729	NA	MeJP	NA	NA
+MJ014817	Ineupatoriol 	C14H16O2S	248.0871	NA	MeJP	NA	NA
+CJpos0630	Phenylacetylglutamine [(M+H)-(NH3)]+ (13C)	C1213CH14NO4	248.087275	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0630	Phenylacetylglutamine [(M+H)-(NH3)]+ (13C)	C1213CH14NO4	248.087275	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+7830	ACE inhibitor	TE	248.089	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ014818	2-Methyl-3-(tetrahydro-2,3,5-trihydroxy-6-hydroxymethyl-2H-pyran-2-yl)-2-propenoic acid 	C10H16O7	248.089602	NA	MeJP	NA	NA
+MJ014819	4-C-Acetyl-6-deoxygalactonic acid, 2,3-Methylene, Me ester 	C10H16O7	248.089602	NA	MeJP	NA	NA
+MJ014820	3-[(1-Methylpropyl)dithio]-2-propen-1-ol, 2-Methylpropanoyl 	C11H20O2S2	248.090471	NA	MeJP	NA	NA
+MJ014821	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 1,3-Di-Me 	C11H12N4O3	248.09094	NA	MeJP	NA	NA
+MJ014822	10H-Indolo[3,2-b]quinoline; 5H-form, 11-Hydroxy, 5-Me 	C16H12N2O	248.094963	NA	MeJP	NA	NA
+MJ014823	4-Quinazolinol; 3H-form, N-(2-Phenylethenyl)(Z-) 	C16H12N2O	248.094963	NA	MeJP	NA	NA
+MJ014824	Norisotuboflavine; 6-De-Me, 6-Ethyl 	C16H12N2O	248.094963	NA	MeJP	NA	NA
+MJ014825	Tuboflavine 	C16H12N2O	248.094963	NA	MeJP	NA	NA
+MJ014826	Glypetelotine 	C13H16N2OS	248.098333	NA	MeJP	NA	NA
+CJpos0631	Creatinine (and isomer) [(2M+Na)]+	C8H14N6NaO2	248.099175	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0631	Creatinine (and isomer) [(2M+Na)]+	C8H14N6NaO2	248.099175	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ000094	TE 	C9H16N2O6	248.1008	NA	PeJP	NA	NA
+MJ014827	Kijanose 	C9H16N2O6	248.100836	NA	MeJP	NA	NA
+MJ014828	Malioxamycin 	C9H16N2O6	248.100836	NA	MeJP	NA	NA
+HMDB00497	5,6-Dihydrouridine	C9H16N2O6	248.10085	http://www.hmdb.ca/metabolites/HMDB00497	HMDB	NA	NA
+HMDB00497	5,6-Dihydrouridine	C9H16N2O6	248.10085	HMDB00497	PFEM_hmdb_metabocards_official	NA	NA
+MJ014829	1,2,3,4-Naphthalenetetrol; Tetra-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014830	1,4-Dihydro-10-hydroxy-?-1-propenyl-2,3-benzodioxocin-4-methanol 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014831	11-Hydroxy-13-nor-3-oxo-1,7(11)-eudesmadien-12,6-olide; 6?-form 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014832	13-Hydroxyripariochromene A; 7-Deoxy 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014833	2,4-Dihydroxy-3-prenylcinnamic acid 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014834	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014835	3,4-Dihydroxy-5-prenylcinnamic acid 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014836	3,7-Dihydroxy-4-isopropyl-6-methylcoumarin; 3-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014837	3-Methyl-2-buten-1-ol; 3,4-Dihydroxy-E-cinnamoyl 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014838	3-Methyl-2-buten-1-ol; 3,4-Dihydroxy-Z-cinnamoyl 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014839	3-Methyl-3-buten-1-ol; 3,4-Dihydroxycinnamoyl(E-) 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014840	3-Methyl-3-buten-1-ol; 3,4-Dihydroxycinnamoyl(Z-) 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014841	4,9-Dimethyl-2,4,6,8,10-dodecapentaenedioic acid 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014842	4-Hydroxy-2-methoxy-5-(1-oxo-4-hexenyl)benzaldehyde 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014843	5,6-Dihydro-5-hydroxy-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014844	5,7-Dihydroxy-2-isopropyl-6-methyl-4H-1-benzopyran-4-one; 7-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014845	5,7-Dihydroxy-2-isopropyl-8-methyl-4H-1-benzopyran-4-one; 7-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014846	5-(2,4-Hexadienylidene)-2-oxo-6H-pyran-3-propanoic acid 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014847	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014848	5-Acetyl-2,3-dihydro-6,7-dihydroxy-2-isopropenylbenzofuran; 7-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014849	6-Acetyl-2,3-dihydro-3,5-dihydroxy-2-isopropenylbenzofuran, 3-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014850	6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran; 8-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014851	6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran; 5-Hydroxy, 8-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014852	7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 2'-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014853	7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 7-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014854	7-Hydroxy-6-prenylcoumarin; 2',3'-Dihydro, 3'-hydroxy 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014855	8-Acetyl-5,7-dihydroxy-2,2-dimethylchromene; 5-Me ether 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014856	Dasycarpol 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014857	Dykellic acid 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014858	Isohistiopterosin A 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014859	Microhelenin E 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014860	Microhelenin F 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014861	Mycorrhizin A, Dechloro 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014862	Olivetonide 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014863	Precitreobiphenyl 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014864	Pterosin C, 4-Carboxylic acid 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014865	Pyriculariol 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014866	Pyriculol 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014867	Remirol 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014868	Spiciferone B 	C14H16O4	248.104859	NA	MeJP	NA	NA
+MJ014869	Spiciferone C 	C14H16O4	248.104859	NA	MeJP	NA	NA
+C10487	Prenyl caffeate	C14H16O4	248.1049	NA	KEGG	NA	NA
+C12456	3-Dimethylallyl-4-hydroxyphenylpyruvate	C14H16O4	248.1049	NA	KEGG	NA	NA
+C16788	Pyriculol	C14H16O4	248.1049	NA	KEGG	NA	NA
+C07423	Pentobarbital sodium	C11H17N2O3	248.1137	NA	KEGG	NA	NA
+HMDB04081	6-Hydroxymelatonin	C13H16N2O3	248.116089	NA	HMDB2010	NA	NA
+HMDB04081	6-Hydroxymelatonin	C13H16N2O3	248.11609	http://www.hmdb.ca/metabolites/HMDB04081	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04081	6-Hydroxymelatonin	C13H16N2O3	248.11609	http://www.hmdb.ca/metabolites/HMDB04081	HMDB	NA	NA
+HMDB04081	6-Hydroxymelatonin	C13H16N2O3	248.11609	http://www.hmdb.ca/metabolites/HMDB04081	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04081	6-Hydroxymelatonin	C13H16N2O3	248.11609	HMDB04081	PFEM_hmdb_metabocards_official	NA	NA
+MJ014870	12-Cytisineacetic acid 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014871	Abbeymycin 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014872	Cytisine, N-Acetoxy 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014873	Cytisine, N-Methoxycarbonyl 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014874	Gentiana Alkaloid I 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014875	Indorenate 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014876	Pheneturide, N-Ac 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014877	Profexalone 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MJ014878	6-Hydroxymelatonin 	C13H16N2O3	248.116092	NA	MeJP	NA	NA
+MetaCyc02257	N-acetyl-D-tryptophan []	C13H16N2O3	248.116092	01/05/2280	metacyc	NA	NA
+C05643	6-Hydroxymelatonin	C13H16N2O3	248.1161	NA	KEGG	NA	NA
+PJ000095	VM 	C10H20N2O3S	248.1195	NA	PeJP	NA	NA
+MJ014879	Furodysinin, 14-Mercapto 	C15H20OS	248.123485	NA	MeJP	NA	NA
+MJ014880	2-Methyl-2-buten-1-ol, O-?-D-Glucopyranoside 	C11H20O6	248.125988	NA	MeJP	NA	NA
+MJ014881	2-Methyl-3-buten-2-ol; O-?-D-Glucopyranoside 	C11H20O6	248.125988	NA	MeJP	NA	NA
+MJ014882	3-Methyl-2-buten-1-ol; O-?-D-Glucopyranoside 	C11H20O6	248.125988	NA	MeJP	NA	NA
+MJ014883	Officinalisin 	C11H20O6	248.125988	NA	MeJP	NA	NA
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	248.127319	NA	HMDB2010	NA	NA
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	248.12732	NA  ;SYN:3,5-Diiodotyrocine; 3,5-Iodo-L-tyrosine; 3,5-L-Diiodotyrosine; 4-Hydroxy-3,5-diiodophenylalanine;L-3,5-DiioDOTyrosine; L-DiiodotyrosineH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ014884	Taloximine 	C12H16N4O2	248.127325	NA	MeJP	NA	NA
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	248.12733	http://www.hmdb.ca/metabolites/HMDB02053	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	248.12733	http://www.hmdb.ca/metabolites/HMDB02053	HMDB	NA	NA
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	248.12733	http://www.hmdb.ca/metabolites/HMDB02053	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02053	Histidylproline diketopiperazine	C12H16N4O2	248.12733	HMDB02053	PFEM_hmdb_metabocards_official	NA	NA
+MJ014885	3,4-Dihydroellipticine 	C17H16N2	248.131348	NA	MeJP	NA	NA
+MJ014886	Antibiotic 0089D 	C17H16N2	248.131348	NA	MeJP	NA	NA
+MJ014887	Brasilidine A 	C17H16N2	248.131348	NA	MeJP	NA	NA
+MJ014888	Flavopereirine; 6,7-Dihydro 	C17H16N2	248.131348	NA	MeJP	NA	NA
+3163	entherostatin	APGPR	248.1315	MH2+	Inhouse_peptide	NA	peptide
+HMDB06117	APGPR Enterostatin	C21H36N8O6	248.1378935	MH2+	Inhouse_peptide	NA	peptide
+C02771	1,2-Dihydrosantonin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C02773	1-Alkyl-sn-glycerol	C3H7O3R	248.1412	NA	KEGG	NA	NA
+C07609	Parthenolide	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09301	Artabsin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09345	Artemorin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09378	Confertin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09386	Damsin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09440	Eupatolide	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09488	Ivalin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09507	Micheliolide	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09534	Pseudoivalin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09537	Quadrone	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09544	Santamarin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09556	Tamaulipin A	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09562	Tomentosin	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09626	Canellal	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09660	Dehydrongaione	C15H20O3	248.1412	NA	KEGG	NA	NA
+C09687	Illudin M	C15H20O3	248.1412	NA	KEGG	NA	NA
+C13455	Abscisic aldehyde	C15H20O3	248.1412	NA	KEGG	NA	NA
+HMDB01931	gamma-CEHC	C15H20O3	248.14124	http://www.hmdb.ca/metabolites/HMDB01931	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01931	gamma-CEHC	C15H20O3	248.14124	http://www.hmdb.ca/metabolites/HMDB01931	HMDB	NA	NA
+HMDB01931	gamma-CEHC	C15H20O3	248.14124	http://www.hmdb.ca/metabolites/HMDB01931	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01931	gamma-CEHC	C15H20O3	248.14124	HMDB01931	PFEM_hmdb_metabocards_official	NA	NA
+MJ014889	1(10),11(13)-Eremophiladien-12,8-olide, 2?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014890	1(10),11(13)-Eremophiladien-12,8-olide, 3?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014891	1(10),3,11(13)-Guaiatrien-12,6-olide, 3?,4?-Epoxide, 11?,13-dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014892	1,10-Epoxy-11(13)-eremophilen-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014893	1,10-Epoxy-3-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014894	1,10-Epoxy-4,11(13)-germacradien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014895	1,10-Epoxy-8,9-aristolanedione 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014896	1,10-Epoxyfuranoeremophilan-6-ol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014897	1,10:4,5:8,12-Triepoxy-7,11-germacradiene 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014898	1,2-Dihydroxy-1,3,5-herbertatrien-12-al 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014899	1,2-Epoxy-5,7,9-farnesatrien-15,1-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014900	1,3,11(13)-Elematrien-12,8-olide, 3,4-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014901	1,3,11(13)-Elematrien-12,8-olide, 15-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014902	1,3,11(13)-Elematrien-12,8-olide, 3,4?-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014903	1,7,12-Trihydroxy-2,9-illudadien-8-one, 1-Deoxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014904	1,7-Dihydroxy-2,9-illudadien-8-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014905	1-(3,4-Dihydroxyphenyl)-1-propanone; 3-Me, 4-(3-methyl-2-butenyl) ether 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014906	1-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014907	1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid; 1?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014908	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014909	1-Hydroxy-3,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014910	1-Hydroxy-3,9-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014911	1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014912	1-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014913	1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 1-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014914	1-Hydroxy-4(15)-eudesmen-12,6-olide, 1-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014915	1-Hydroxy-4,10(14)-germacradien-12,6-olide, 1-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014916	1-Hydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014917	1-Hydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014918	1-Hydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014919	1-Hydroxy-4,9,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014920	1-Hydroxy-4-oxo-2,5,10-bisabolatrien-12-al 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014921	1-Hydroxy-5-eudesmen-12,8-olide, 11,13-Didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014922	1-Hydroxy-8-oxo-2,6,9-humulatrien-15-oic acid, 1-Deoxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014923	1-Oxo-4-eudesmen-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014924	1-Oxo-7(11)-eremophilen-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014925	1-Oxo-7(11)-eudesmen-12,8-olide; 8?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014926	10,14-Epoxy-4(15)-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014927	10-Hydroxy-1,11(13)-eremophiladien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014928	10-Hydroxy-1,3-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014929	10-Hydroxy-15-calamenenoic acid; 10?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014930	10-Hydroxy-15-calamenenoic acid; 10?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014931	10-Hydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014932	10-Hydroxy-4(15),11(13)-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014933	10-Hydroxy-7-marasmen-5,14-olide; 10?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014934	11-Dodecene-2,4-diyn-1-ol; Methoxyacetate 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014935	11-Hydroxy-3,5,7,9-farnesatetraene-1,15-dial 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014936	11-Oxo-5-silphiperfolen-13-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014937	12-Hydroxy-1(10),11(13)-chiloscyphadiene-2,7-dione 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014938	12-Hydroxy-1-oxo-4,10(14)-bicyclogermacradien-15-al 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014939	12-Hydroxy-4,6-eudesmadiene-3,8-dione 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014940	12-Hydroxy-7-marasmen-5,14-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014941	14-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014942	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014943	15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014944	15-Hydroxy-2,7(14),10-bisabolatrien-12-oic acid; 15-Aldehyde 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014945	15-Hydroxy-3,10(14)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014946	15-Hydroxy-3,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014947	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 15-Aldehyde 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014948	15-Hydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014949	15-Hydroxy-4,11(13)-eudesmadien-12-oic acid; 15-Aldehyde 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014950	2,10-Dihydroxy-4(15),6,8-hirsutatrien-5-one, 4?,15-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014951	2,12-Epoxy-7(14)-illudadiene-3,8-diol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014952	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 2-Deoxy, 4-ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014953	2,5-Epidioxy-3,11-eudesmadien-1-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014954	2,7-Epoxy-3-oxo-5(10)-pinguisen-11-al 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014955	2-(1,2-Epoxy-2,6-dimethyl-5,7-octadienyl)-5-methylfuran-3(2H)-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014956	2-(1-Propenyl)-1,4-benzenediol, 4-Me ether, 1-O-(2-methylbutanoyl) 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014957	2-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014958	2-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014959	2-Hydroxy-3,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014960	2-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 2?-form, 2-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014961	2-Hydroxy-3-oxo-4,11(13)-eudesmadien-12-al 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014962	2-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014963	2-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014964	2-Hydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014965	2-Hydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014966	2-Hydroxy-5,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014967	2-Hydroxy-7-marasmen-5,14-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014968	2-Hydroxy-9,11-dimethyl-10-methylene-3-oxatricyclo[7.3.1.02,6]tridec-5-en-4-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014969	2-Methoxy-4-(1-propenyl)phenol, 2-Methylbutanoyl 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014970	2-Methoxy-4-(1-propenyl)phenol, 3-Methylbutanoyl 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014971	2-Methoxy-4-(2-propenyl)phenol; 3-Methylbutanoyl 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014972	2-Oxo-1(10),11(13)-eremophiladien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014973	2-Oxo-1(10),11(13)-spirovetivadien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014974	2-Oxo-3-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014975	2-Oxo-3-pseudoguaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014976	3,12-Dihydroxy-2(9),7(14)-illudadien-8-one; 3?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014977	3,14-Calamenenediol; 14-Carboxylic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014978	3,15-Epoxy-5,7,9-farnesatrien-1,15-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014979	3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014980	3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014981	3,6:9,12-Diepoxy-1,9,11-farnesatrien-8-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014982	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl), 3'-Me ether 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014983	3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, methylbutyl ester 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014984	3-Hydroxy-1(10),11(13)-eremophiladien-12-oic acid, 3-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014985	3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014986	3-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014987	3-Hydroxy-1(10),4-germacradien-12,6-olide, 3-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014988	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014989	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014990	3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014991	3-Hydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014992	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014993	3-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 3-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014994	3-Hydroxy-4,11(13)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014995	3-Hydroxy-4,9,11(13)-cadinatrien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014996	3-Hydroxy-4,9,11(13)-muurolatrien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014997	3-Hydroxy-4-isocedren-15,14-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014998	3-Hydroxy-6,8-lactaradien-14,5-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ014999	3-Hydroxy-9,11(13)-eremophiladien-12-oic acid, 3-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015000	3-Hydroxyfuranoeremophilan-9-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015001	3-Oxo-1(10),11(13)-germacradien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015002	3-Oxo-1,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015003	3-Oxo-1,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015004	3-Oxo-1,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015005	3-Oxo-1,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015006	3-Oxo-1,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015007	3-Oxo-1-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015008	3-Oxo-10(14)-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015009	3-Oxo-11(13)-pseudoguaien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015010	3-Oxo-4,11(13)-germacradien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015011	3-Oxo-4,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015012	3-Oxo-4,11(13)-guaiadien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015013	3-Oxo-7-eudesmen-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015014	3-Oxo-9-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015015	4(15),11(13)-Eudesmadien-12,8-olide, 4?,15-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015016	4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide, 10-Deoxy, 10,14-didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015017	4,10-Epoxy-3-hydroxy-12,8-guaianolide, 3-Deoxy, 11,13-didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015018	4,11(13)-Eudesmadien-12,6-olide, 4?,5?-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015019	4,11(13)-Eudesmadien-12,8-olide, 4?,5?-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015020	4,11(13)-Guaiadien-12,8-olide, 4?,5?-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015021	4,5,6,9,10,10a-Hexahydro-10a-hydroxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015022	4,5-Epoxy-1(10),11(13)-germacradien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015023	4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015024	4,5-Epoxy-11(13)-guaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015025	4,5-Secofuranoeremophila-5,9-dien-4-one; 11,12-Dihydro, 12?-hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015026	4,6-Dihydroxy-11(13)-eudesmen-12,8-olide, 4-Deoxy, 4,15-didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015027	4-Hydroxy-1(10),11(13)-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015028	4-Hydroxy-1(10),11(13)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015029	4-Hydroxy-1(10),2-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015030	4-Hydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015031	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015032	4-Hydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015033	4-Hydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015034	4-Hydroxy-3-cedrene-1,5-dione 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015035	4-Hydroxy-5,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015036	4-Hydroxy-5,11(13)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015037	4-Hydroxy-5-oxo-7-protoilluden-14-al; 4?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015038	4-Hydroxy-7(11),8-eudesmadien-12,8-olide; 4?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015039	4-Hydroxy-8-oxo-1(10),6-eremophiladien-12-al; 4?-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015040	4-Hydroxy-9,11(13)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015041	4-Isocedren-15,14-olide; 14?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015042	4-Isocedren-15,14-olide; 8?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015043	4-Isocedren-15,14-olide; 9?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015044	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015045	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015046	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015047	4-Oxo-2,11(13)-pseudoguaiadien-12,6-olide, 2,3-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015048	4-Oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015049	4-Oxo-3(5),11(13)-iphionadien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015050	4-Oxo-7(11)-pseudoguaien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015051	4-Scirpenol, 4-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015052	5,10-Epoxy-1,3,5,8-bisabolatetraene-2,11-diol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015053	5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid, 7,8-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015054	5-Hydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015055	5-Hydroxy-2,5,10-bisabolatriene-1,4-dione 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015056	5-Hydroxy-2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; Angeloyl 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015057	5-Hydroxy-3,11(13)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015058	5-Hydroxy-3,5,10-bisabolatriene-1,2-dione 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015059	5-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015060	5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015061	5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; Angeloyl 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015062	5-Hydroxy-6-silphiperfolen-13-oic acid, 5-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015063	5-Hydroxy-7-oxo-10-pinguisen-12-oic acid, 12?5 Lactone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015064	6,7-Epoxy-4(15)-hirsutene-1,5-diol, 5-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015065	6,7-Epoxy-8-drimen-12,11-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015066	6-(1,3-Dimethyl-1,3-hexadienyl)-2-methoxy-3-methyl-4H-pyran-4-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015067	6-(1,3-Dimethyl-1,3-hexadienyl)-4-methoxy-3-methyl-2H-pyran-2-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015068	6-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015069	6-Hydroxy-1(10),7(11)-eremophiladien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015070	6-Hydroxy-1(10),7-eremophiladien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015071	6-Hydroxy-4,6,11(13)-eudesmatrien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015072	6-Hydroxy-4,9-germacradien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015073	6-Hydroxyfuranoeremophilan-9-one 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015074	6-Oxo-8-drimen-12,11-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015075	7(11)-Eremophilen-12,8-olide, 9,10-Didehydro, 8?-hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015076	7-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015077	7-Hydroxy-3,11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015078	7-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015079	7-Hydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015080	7-Marasmene-5,14-dial; 10?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015081	7-Methoxy-6-(1-methoxyethyl)-2,2-dimethyl-2H-1-benzopyran 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015082	7-Oxo-8-drimen-11,12-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015083	8,9-Epoxy-8,9-seco-1(10),4,7(11)-germacratrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015084	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015085	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015086	8-Hydroxy-1(10),7(11)-eremophiladien-12,8-olide; 8àOH-form 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015087	8-Hydroxy-1,3,7(11)-elematrien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015088	8-Hydroxy-3,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015089	8-Hydroxy-4(15),10(14)-guaiadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015090	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015091	8-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015092	8-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015093	8-Hydroxy-4(15)-eudesmen-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015094	8-Hydroxy-4,7(11)-guaiadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015095	8-Hydroxy-4-amorphen-3-one; 8-Ketone, 7,11-didehydro, 12-hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015096	8-Hydroxy-4-eudesmen-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015097	8-Oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015098	8-Oxo-6,9-eremophiladien-12-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015099	8-Oxo-7(11),9-eremophiladien-12-al, 12-Carboxylic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015100	9,11(13)-Eremophiladien-12,8-olide, 3?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015101	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015102	9-Hydroxy-4(13),7-coloratadien-12,11-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015103	9-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015104	9-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 9-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015105	9-Hydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015106	9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 9-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015107	9-Hydroxy-7-marasmen-5,14-olide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015108	9-Oxo-1,3,5-bisabolatrien-15-oic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015109	9-Oxo-2-modhephen-14-al; 12-Carboxylic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015110	?-Cannabispiranol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015111	Abscisic acid, 11-Aldehyde 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015112	Anguillosporal, 1',2'-Didehydro(E-) 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015113	Arteannuin B 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015114	Bisabolangelone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015115	Blennin C; Aldehyde 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015116	Carabrone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015117	Carney's ketol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015118	Coprinolone; 6,7-Didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015119	Cyclodehydromyopyrone A 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015120	Cyclodehydromyopyrone B 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015121	Cyercene 3 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015122	Cyercene 5 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015123	Dacriniol; Aldehyde 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015124	Dysetherin 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015125	Emmotin F 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015126	Enokipodin A 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015127	Eremoacetal 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015128	Eremofortin B 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015129	Eumorphistonol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015130	Ferulol; Angeloyl 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015131	Ferulol; O-(3-Methyl-2-butenoyl) 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015132	Furanoeremophil-1(10)-ene-4,6-diol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015133	Furodysinin lactone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015134	Gloeophyllol C 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015135	Gloeophyllone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015136	Heliannuol C 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015137	Heliannuol E 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015138	Helicobasidin; 4-Deoxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015139	Herbacin hydroxybutenolide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015140	Hibiscone A; 9-Oxo, 3?-alchohol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015141	Hibiscone A; 9?-Hydroxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015142	Igalin 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015143	Illicinone A, 2R,3-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015144	Illicinone A, 2S,3-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015145	Illicinone A, 2?,3-Dihydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015146	Illicinone A, 2R,3-Dihydro, 11S,12-epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015147	Inusoniolide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015148	Isoferulol; O-(3-Methyl-2-butenoyl) 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015149	Isoquadrone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015150	Junipenonoic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015151	Lasiocarpenonol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015152	Laureacetal C 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015153	Laurefucin; Debromo, 3,4-didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015154	Linifolone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015155	Mansonone B 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015156	Marasmene; 3-Oxo 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015157	Merulactone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015158	Merulidial 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015159	Moskachan D 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015160	Muzigadial 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015161	Myoporone, 10,11-Didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015162	Ngaione, 10,11-Didehydro 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015163	Nidulol 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015164	Nobilomethylene 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015165	Onitin 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015166	Pallescensin 3 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015167	Palmosalide C 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015168	Phomenone; 13-Deoxy 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015169	Placidene B 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015170	Plagiochilal B 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015171	Plagiochiline K; 2-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015172	Pterosin A 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015173	Pterosin D 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015174	Quadrone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015175	Rarisetenolide; 11?,12-Epoxide 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015176	Ricciocarpin A 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015177	Saussureal 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015178	Terrecyclol; 7-Carboxylic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015179	Toxin FS1; 2-Ketone 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015180	Ulugbin 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015181	Upial 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015182	Vernopolyanthofuran; 6,7-Didehydro(E) 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015183	Viscosumic acid 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MJ015184	Winterin 	C15H20O3	248.141244	NA	MeJP	NA	NA
+MetaCyc02258	1,2-dihydrosantonin []	C15H20O3	248.141245	NA	metacyc	NA	NA
+MetaCyc02259	xanthoxin []	C15H20O3	248.141245	NA	metacyc	NA	NA
+MetaCyc02260	abscisic aldehyde [ABA aldehyde;abscisic acid aldehyde;]	C15H20O3	248.141245	NA	metacyc	NA	NA
+HMDB01931	Gamma-CEHC	C15H20O3	248.141251	NA	HMDB2010	NA	NA
+MJ015185	Negamycin 	C9H20N4O4	248.148455	NA	MeJP	NA	NA
+MJ015186	Bunitrolol 	C14H20N2O2	248.152477	NA	MeJP	NA	NA
+MJ015187	Domazoline 	C14H20N2O2	248.152477	NA	MeJP	NA	NA
+MJ015188	Pindolol 	C14H20N2O2	248.152477	NA	MeJP	NA	NA
+MJ015189	Piridocaine 	C14H20N2O2	248.152477	NA	MeJP	NA	NA
+MJ015190	Visoltricin; N1-Me 	C14H21N2O2(+)	248.152477	NA	MeJP	NA	NA
+MetaCyc02261	p-(&beta;-aminoethyl)phenoxy-methyl-2-(aminomethyl)furan []	C14H20N2O2	248.152478	NA	metacyc	NA	NA
+C07445	Pindolol	C14H20N2O2	248.1525	NA	KEGG	NA	NA
+MJ015191	1-Chloro-1-tridecene-6,8-diol 	C13H25ClO2	248.154307	NA	MeJP	NA	NA
+MJ015192	Diptocarpaine; N2-Isopropyl 	C11H24N2O2S	248.155848	NA	MeJP	NA	NA
+MJ015193	Narbosine C; 1-Alcohol 	C12H24O5	248.162373	NA	MeJP	NA	NA
+MJ015194	N,N-Dimethyl-N'-[2-(4-morpholinyl)phenyl]guanidine 	C13H20N4O	248.163711	NA	MeJP	NA	NA
+MJ015195	N-(2,6-Diethylphenyl)-N'-[imino(methylamino)methyl]urea 	C13H20N4O	248.163711	NA	MeJP	NA	NA
+MJ015196	1(10),11(13)-Eremophiladien-12-oic acid; Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015197	1(10),11-Guaiadien-14-ol, 14-Carboxylic acid, Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015198	13,14,15,16-Tetranor-7-labden-17,12-olide 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015199	13,14,15,16-Tetranor-9(11)-labden-12,8-olide; 8?-form 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015200	2,4-Bis(3-methyl-2-butenyl)phenol; 2',3'-Dihydro, 3'-hydroxy 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015201	2-Isocomen-14-ol; 14-Carboxylic acid, Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015202	3,7-Calamenenediol, 3-Me ether 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015203	3,8-Calamenenediol, 3-Me ether 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015204	3-Longipinen-12-oic acid; 11-Epimer, Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015205	3-Longipinen-12-oic acid; Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015206	4,11(13)-Amorphadien-12-oic acid; Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015207	4,7,10,13-Hexadecatetraenoic acid 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015208	4-Hydroxy-1,9-cadinadien-3-one; Me ether 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015209	6,9,12,15-Hexadecatetraenoic acid 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015210	6-Hydroxy-3(15),7(14)-caryophylladien-8-one, Me ether 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015211	6-Hydroxy-3(15),7(14)-caryophylladien-8-one; 6?-form, Me ether 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015212	Calamenene, 2-Hydroxy, 5-methoxy 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015213	Contrunculin B 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015214	Furanoeremophilan-6-ol, Me ether 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015215	Inocoterone 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015216	Madolin M 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015217	Nidorellaurinic acid; 3,4-Dihydro, Me ester 	C16H24O2	248.17763	NA	MeJP	NA	NA
+MJ015218	17-Oxosparteine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015219	?-Isosparteine, 10-Oxo 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015220	Allomatrine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015221	Ammodendron karelinii Alkaloid 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015222	Angustifoline, N-Me 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015223	Aphylline 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015224	Darvasamine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015225	Isomatrine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015226	Isosophoridine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015227	Lupanine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015228	Matrine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015229	Morforex 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015230	Sophoridine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015231	Tetrahydrocytisine; N-(3-Butenyl) 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015232	Thermopsamine; Ketone 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015233	Trimecaine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015234	Virgilidone; N-(3-Butenyl) 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+MJ015235	?-Isolupanine 	C15H24N2O	248.188863	NA	MeJP	NA	NA
+C10752	Aphylline	C15H24N2O	248.1889	NA	KEGG	NA	NA
+C10772	Lupanine	C15H24N2O	248.1889	NA	KEGG	NA	NA
+C10774	Matrine	C15H24N2O	248.1889	NA	KEGG	NA	NA
+C17442	Isomatrine	C15H24N2O	248.1889	NA	KEGG	NA	NA
+C18158	17-Oxosparteine	C15H24N2O	248.1889	NA	KEGG	NA	NA
+C18160	Bacteriochlorophyllide d	C30H26MgN4O4	248.1889	NA	KEGG	NA	NA
+C18161	Bacteriochlorophyllide c	C31H28MgN4O4	248.1889	NA	KEGG	NA	NA
+C18162	Bacteriochlorophyll d	C45H50MgN4O4	248.1889	NA	KEGG	NA	NA
+C18163	Bacteriochlorophyll c	C46H52MgN4O4	248.1889	NA	KEGG	NA	NA
+C00370	Sterol	C17H28O	248.214	NA	KEGG	NA	NA
+C02799	3beta-Hydroxysterol	C17H28O	248.214	NA	KEGG	NA	NA
+C16343	Heptadecatrienal	C17H28O	248.214	NA	KEGG	NA	NA
+MJ015236	Sterol 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015237	1,8,11,14-Heptadecatetraene, 11,12-Epoxide 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015238	1,8,11,14-Heptadecatetraene, 8,9-Epoxy 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015239	1,9,11,14-Heptadecatetraen-8-ol 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015240	2-(12-Tridecenyl)furan 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015241	3,7,9,16-Heptadecatetraen-6-ol 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015242	3-Undecylphenol 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015243	4,6,9,16-Heptadecatetraen-3-ol 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015244	8,11,14-Heptadecatrienal 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015245	8-Methyl-2,4-hexadecadiyn-1-ol 	C17H28O	248.214015	NA	MeJP	NA	NA
+MJ015246	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Bisdeoxy 	C16H28N2	248.225248	NA	MeJP	NA	NA
+MJ015247	Lycocernuine; Deoxy, deoxo 	C16H28N2	248.225248	NA	MeJP	NA	NA
+MJ015248	3,6,9-Octadecatriene 	C18H32	248.250401	NA	MeJP	NA	NA
+MJ015249	8-Methylpodocarpane 	C18H32	248.250401	NA	MeJP	NA	NA
+8069	synthetic peptide	RHW	248.619	MH2+	Inhouse_peptide	NA	peptide
+8074	synthetic peptide	RWH	248.619	MH2+	Inhouse_peptide	NA	peptide
+C03347	3,5-Dichloro-L-tyrosine	C9H9Cl2NO3	248.9959	NA	KEGG	NA	NA
+MJ015250	2-Amino-3-(3,5-dichloro-4-hydroxyphenyl)propanoic acid 	C9H9Cl2NO3	248.995948	NA	MeJP	NA	NA
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	HMDB	NA	NA
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	Inhouse_PFEM	NA	NA
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.99595	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.996	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.996	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.996	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR013	3,5-dichlorotyrosine	C9H9Cl2NO3	248.996	Wishlist	Inhousejuil11	NA	NA
+C15311	N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride	C7H13Cl2NO2	249.009	NA	KEGG	NA	NA
+MJ015251	Erdosteine 	C8H11NO4S2	249.012949	NA	MeJP	NA	NA
+C07752	Alendronic acid	C4H13NO7P2	249.0167	NA	KEGG	NA	NA
+HMDB01915	Alendronic acid	C4H13NO7P2	249.016724	NA	HMDB2010	NA	NA
+MJ015252	Alendronic acid 	C4H13NO7P2	249.016724	NA	MeJP	NA	NA
+MetaCyc02262	alendronate [(4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid;Arendal;]	C4H13N1O7P2	249.016725	NA	metacyc	NA	NA
+MJ015253	3-Amino-2-(4-chlorophenyl)-1-propanesulfonic acid 	C9H12ClNO3S	249.022641	NA	MeJP	NA	NA
+HMDB02062	Norepinephrine sulfate	C8H11NO6S	249.030701	NA	HMDB2010	NA	NA
+HMDB02062	Norepinephrine sulfate	C8H11NO6S	249.03072	http://www.hmdb.ca/metabolites/HMDB02062	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02062	Norepinephrine sulfate	C8H11NO6S	249.03072	http://www.hmdb.ca/metabolites/HMDB02062	HMDB	NA	NA
+HMDB02062	Norepinephrine sulfate	C8H11NO6S	249.03072	http://www.hmdb.ca/metabolites/HMDB02062	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02062	Norepinephrine sulfate	C8H11NO6S	249.03072	HMDB02062	PFEM_hmdb_metabocards_official	NA	NA
+MJ015254	Phaclofen 	C9H13ClNO3P	249.032157	NA	MeJP	NA	NA
+C00627	Pyridoxine phosphate	C8H12NO6P	249.0402	NA	KEGG	NA	NA
+HMDB01319	Pyridoxine 5'-phosphate	C8H12NO6P	249.04022	http://www.hmdb.ca/metabolites/HMDB01319	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01319	Pyridoxine 5'-phosphate	C8H12NO6P	249.04022	http://www.hmdb.ca/metabolites/HMDB01319	HMDB	NA	NA
+HMDB01319	Pyridoxine 5'-phosphate	C8H12NO6P	249.04022	http://www.hmdb.ca/metabolites/HMDB01319	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01319	Pyridoxine 5'-phosphate	C8H12NO6P	249.04022	HMDB01319	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01319	Pyridoxine 5'-phosphate	C8H12NO6P	249.040222	NA	HMDB2010	NA	NA
+MJ015255	Pyridoxine phosphate 	C8H12NO6P	249.040223	NA	MeJP	NA	NA
+MetaCyc02263	pyridoxine-5'-phosphate [pyridoxine-phosphate;pyridoxine-5P;pyridoxine-P;]	C8H12N1O6P1	249.040224	447-05-2	metacyc	NA	NA
+MJ015256	Zoliprofen 	C12H11NO3S	249.045963	NA	MeJP	NA	NA
+MetaCyc02264	(Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide []	C11H9N2O5	249.051146	NA	metacyc	NA	NA
+MetaCyc02265	(E)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide []	C11H9N2O5	249.051146	NA	metacyc	NA	NA
+MJ015257	Nitramisole 	C11H11N3O2S	249.057197	NA	MeJP	NA	NA
+MJ015258	Sulfapyridine 	C11H11N3O2S	249.057197	NA	MeJP	NA	NA
+MJ015259	Mimosamycin; 4-Hydroxy 	C12H11NO5	249.063722	NA	MeJP	NA	NA
+MJ015260	Fluorodopan 	C9H13ClFN3O2	249.068032	NA	MeJP	NA	NA
+PJ000096	CQ 	C8H15N3O4S	249.0783	NA	PeJP	NA	NA
+MJ015261	2-(3,4-Methylenedioxyphenyl)quinoline 	C16H11NO2	249.078978	NA	MeJP	NA	NA
+MJ015262	2-Phenyl-4-quinolinecarboxylic acid 	C16H11NO2	249.078978	NA	MeJP	NA	NA
+MJ015263	4,5-Dehydroanhydrolycorine 	C16H11NO2	249.078978	NA	MeJP	NA	NA
+MJ015264	8-Quinolinol; Benzoyl 	C16H11NO2	249.078978	NA	MeJP	NA	NA
+MJ015265	Anhydrolycorinium 	C16H12NO2(+)	249.078978	NA	MeJP	NA	NA
+C10661	Dubamine	C16H11NO2	249.079	NA	KEGG	NA	NA
+MJ015266	Penimide 	C13H15NO2S	249.082349	NA	MeJP	NA	NA
+C01136	S-Acetyldihydrolipoamide	C10H19NO2S2	249.0857	NA	KEGG	NA	NA
+HMDB01526	S-Acetyldihydrolipoamide	C10H19NO2S2	249.08572	http://www.hmdb.ca/metabolites/HMDB01526	HMDB	NA	NA
+MJ015267	S-Acetyldihydrolipoamide 	C10H19NO2S2	249.08572	NA	MeJP	NA	NA
+MetaCyc02266	S-acetyldihydrolipoamide [6-S-Acetyldihydrolipoamide;]	C10H19N1O2S2	249.08572	NA	metacyc	NA	NA
+HMDB01526	S-Acetyldihydrolipoamide	C10H19NO2S2	249.08572	HMDB01526	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01526	S-Acetyldihydrolipoamide	C10H19NO2S2	249.085724	NA	HMDB2010	NA	NA
+HMDB06878	S-Acetyldihydrolipoamide-E	C10H19NO2S2	249.085724	NA	HMDB2010	NA	NA
+MJ015268	6-Amino-2-hydroxypurine; 1-Me, 6,9-di-Ac 	C10H11N5O3	249.086189	NA	MeJP	NA	NA
+MJ015269	Daniquidone 	C15H11N3O	249.090211	NA	MeJP	NA	NA
+MJ015270	Eudistomin A; Debromo 	C15H11N3O	249.090211	NA	MeJP	NA	NA
+MJ015271	Bexlosteride 	C14H16ClNO	249.092041	NA	MeJP	NA	NA
+MJ015272	Sercloremine 	C14H16ClNO	249.092041	NA	MeJP	NA	NA
+PJ000097	GSS 	C8H15N3O6	249.0961	NA	PeJP	NA	NA
+3091	gluten A4 exorphin	GYYP	249.0995	MH2+	Inhouse_peptide	NA	peptide
+MJ015273	2,4,7,8-Quinolinetetrol; NH-form, O4,O7,O8,N-Tetra-Me 	C13H15NO4	249.100107	NA	MeJP	NA	NA
+MJ015274	5,6,7,8-Tetramethoxyisoquinoline 	C13H15NO4	249.100107	NA	MeJP	NA	NA
+MJ015275	5,6,7-Trimethoxy-2-methyl-1(2H)-isoquinolinone 	C13H15NO4	249.100107	NA	MeJP	NA	NA
+MJ015276	Anhalonine, N-Formyl 	C13H15NO4	249.100107	NA	MeJP	NA	NA
+MJ015277	Haplosine 	C13H15NO4	249.100107	NA	MeJP	NA	NA
+MJ015278	Spirostaphylotrichin O; 4-Ketone, N-demethoxy 	C13H15NO4	249.100107	NA	MeJP	NA	NA
+MJ015279	5,8-Dihydroxy-4,7-dimethoxy-2,6-dimethylisoquinolinium(1+) 	C13H16NO4(+)	249.100108	NA	MeJP	NA	NA
+CJpos0632	Creatinine (and isomer) [(2M+Na)]+ (13C)	C713CH14N6NaO2	249.102575	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0632	Creatinine (and isomer) [(2M+Na)]+ (13C)	C713CH14N6NaO2	249.102575	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ015280	2-(4-Azidophenoxy)-2-methylpropanoic acid; Et ester 	C12H15N3O3	249.111341	NA	MeJP	NA	NA
+MJ015281	2-[(2-Acetamidopropanoyl)amino]benzamide 	C12H15N3O3	249.111341	NA	MeJP	NA	NA
+MJ015282	Oxibendazole 	C12H15N3O3	249.111341	NA	MeJP	NA	NA
+MJ015283	Siderochelin C 	C12H15N3O3	249.111341	NA	MeJP	NA	NA
+PJ000098	CK 	C9H19N3O3S	249.1147	NA	PeJP	NA	NA
+MJ015284	Lansamide I, N-De-Me 	C17H15NO	249.115364	NA	MeJP	NA	NA
+3552	a-lactorphin (50-53)	YGLF	249.118	MH2+	Inhouse_peptide	NA	peptide
+3554	a-lactokinin (a-La 50-53) ACE inhibitor	YGLF	249.118	MH2+	Inhouse_peptide	NA	peptide
+MJ015285	6-(2-Thienyl)-2,4-hexadienoic acid isobutylamide 	C14H19NOS	249.118734	NA	MeJP	NA	NA
+MJ015286	Conagenin 	C10H19NO6	249.121237	NA	MeJP	NA	NA
+MJ015287	1'-Methylzeatin, 2-Hydroxy 	C11H15N5O2	249.122574	NA	MeJP	NA	NA
+MJ015288	Cyclobut A 	C11H15N5O2	249.122574	NA	MeJP	NA	NA
+MJ015289	Epinastine 	C16H15N3	249.126597	NA	MeJP	NA	NA
+3803	NA	VGVAPG	249.1335	MH2+	Inhouse_peptide	NA	peptide
+MJ015290	3,4,4a,10b-Tetrahydro-4-propyl-2H,5H[1]benzopyrano[4,3-b]-1,4-oxazin-9-ol 	C14H19NO3	249.136493	NA	MeJP	NA	NA
+MJ015291	Allosecurinine, 14,15-Dihydro, 15?-methoxy 	C14H19NO3	249.136493	NA	MeJP	NA	NA
+MJ015292	Anhalonine, N-Et 	C14H19NO3	249.136493	NA	MeJP	NA	NA
+MJ015293	Pleurospermine 	C14H19NO3	249.136493	NA	MeJP	NA	NA
+MJ015294	Ruspolinone 	C14H19NO3	249.136493	NA	MeJP	NA	NA
+MJ015295	Anhalonine, N-Di-Me 	C14H20NO3(+)	249.136493	NA	MeJP	NA	NA
+C10169	Ruspolinone	C14H19NO3	249.1365	NA	KEGG	NA	NA
+C15032	1-(4-Methoxyphenyl)-3-(4-morpholinyl)-1-propanone	C14H19NO3	249.1365	NA	KEGG	NA	NA
+MJ015296	10-(Methylsulfonyl)decanoic acid; Amide 	C11H23NO3S	249.139864	NA	MeJP	NA	NA
+MJ015297	Amidantel 	C13H19N3O2	249.147726	NA	MeJP	NA	NA
+MJ015298	1,2,3,5,6,10-Hexahydro-6-phenylpyrrolo[2,1-a]isoquinoline 	C18H19N	249.151749	NA	MeJP	NA	NA
+MJ015299	Benzoctamine 	C18H19N	249.151749	NA	MeJP	NA	NA
+MJ015300	Primaperone 	C15H20FNO	249.152892	NA	MeJP	NA	NA
+MJ015301	Tenocyclidine 	C15H23NS	249.15512	NA	MeJP	NA	NA
+MJ015302	2,3-Dihydro-1-(2-methyl-1,3-dioxo-8-decenyl)-1H-pyrrole 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015303	2-Amino-2-phenylacetic acid, Heptyl ester 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015304	2-Benzyl-4-(diethylamino)butanoic acid 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015305	Alprenolol 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015306	Castoramine 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015307	Ciramadol 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015308	Dendrobine, N-De-Me 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015309	Deoxynupharidine, 7-Epimer, N-oxide 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015310	Deoxynupharidine, 9?-Hydroxy 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015311	Deoxynupharidine, N-Oxide 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015312	Isobucaine 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015313	Isocastoramine 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015314	Lophocerine 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015315	Mabuprofen 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015316	Nuphamine 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015317	Nupharolutine 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015318	Polonicumtoxin C; O-(3-Butenoyl) 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+MJ015319	Procinolol 	C15H23NO2	249.172878	NA	MeJP	NA	NA
+C09571	Lophocerine	C15H23NO2	249.1729	NA	KEGG	NA	NA
+C17463	Nupharidine	C15H23NO2	249.1729	NA	KEGG	NA	NA
+MJ015320	Spermidine; N'-Benzoyl 	C14H23N3O	249.184112	NA	MeJP	NA	NA
+MJ015321	5-Fluoro-1,2,3,4-tetrahydro-2-naphthylamine, N,N-Dipropyl 	C16H24FN	249.189277	NA	MeJP	NA	NA
+MJ015322	11-Formamido-5-eudesmene 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015323	2,4,8-Dodecatrienoic acid, 2-Methylpropylamide 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015324	2,4-Dodecadienoic acid, Pyrrolidide 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015325	2-Isothiocyanato-6-axeneamide 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015326	2-Isothiocyanatotrachyopsane; Formamide 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015327	4-Isothiocyanato-1-cadineneamide 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015328	6-Formamido-4(15)-eudesmene 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015329	Alkaloid L10 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015330	Axamide 1 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015331	Axamide 2 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015332	Axamide 3 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015333	Lycopodine, 5?-Alcohol 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015334	Theonelline formamide 	C16H27NO	249.209264	NA	MeJP	NA	NA
+MJ015335	2-(6-Heptenyl)-6-(4-pentenyl)piperidine 	C17H31N	249.245649	NA	MeJP	NA	NA
+MJ015336	3-Butyl-5-(4-pentenyl)indolizidine 	C17H31N	249.245649	NA	MeJP	NA	NA
+MJ015337	8-Ethyl-5-(1-ethyl-1-butenyl)-6-methylindolizidine 	C17H31N	249.245649	NA	MeJP	NA	NA
+6986	coeliac toxic peptide	QQQP	249.613	MH2+	Inhouse_peptide	NA	peptide
+C14707	Bromoform	CHBr3	249.7628	NA	KEGG	NA	NA
+MJ015338	Tribromomethane 	CHBr3	249.762837	NA	MeJP	NA	NA
+MJ015339	2,4-Dibromophenol 	C6H4Br2O	249.86289	NA	MeJP	NA	NA
+MJ015340	2,6-Dibromophenol 	C6H4Br2O	249.86289	NA	MeJP	NA	NA
+C14521	2,4-Dibromophenol	C6H4Br2O	249.8629	NA	KEGG	NA	NA
+C16247	2,6-Dibromophenol	C6H4Br2O	249.8629	NA	KEGG	NA	NA
+C06646	2-(4'-Chlorophenyl)-3,3-dichloropropenoate	C9H5Cl3O2	249.9355	NA	KEGG	NA	NA
+MJ015341	Bis[(methylthio)methyl] disulfide; 2,2,7,7-Tetraoxide 	C4H10O4S4	249.946191	NA	MeJP	NA	NA
+MetaCyc02267	tungstate [wolframate;]	H2O4W1	249.946241	03/01/7783	metacyc	NA	NA
+C12251	2-Iodo-6-methoxyphenol	C7H7IO2	249.9491	NA	KEGG	NA	NA
+C11536	(2R)-O-Phospho-3-sulfolactate	C3H7O9PS	249.9548	NA	KEGG	NA	NA
+MetaCyc02268	L-sulfolactate phosphate [2-phosphosulfolactate;L-2-phospho-3-sulfolactate;PSL;(2R)-phospho-3-sulfolactate;]	C3H7O9P1S1	249.954839	NA	metacyc	NA	NA
+MetaCyc02269	(2R)-O-phospho-3-sulfolactate []	C3H7O9P1S1	249.954839	NA	metacyc	NA	NA
+MJ015342	Luciola Oxyluciferin 	C10H6N2O2S2	249.987068	NA	MeJP	NA	NA
+MetaCyc02270	oxidized photinus luciferin []	C10H6N2O2S2	249.987069	NA	metacyc	NA	NA
+C03797	Oxidized Photinus luciferin	C10H6N2O2S2	249.9871	NA	KEGG	NA	NA
+C03798	Peptidylproline (omega=180)	C6H8N2O2R2	249.9871	NA	KEGG	NA	NA
+C03799	Polyprenylphosphate-glucose	C11H21O9P	249.9871	NA	KEGG	NA	NA
+C03800	Protein S-methyl-L-cysteine	C5H8N2O2SR2	249.9871	NA	KEGG	NA	NA
+C03801	Pteroylpoly-gamma-glutamate	C24H26N8O9	249.9871	NA	KEGG	NA	NA
+C03802	Ribonucleoside triphosphate	C5H12O13P3R	249.9871	NA	KEGG	NA	NA
+C03803	Ribosomal-protein L-alanine	C3H7N2OR	249.9871	NA	KEGG	NA	NA
+C06643	4,4'-Dichlorobenzophenone	C13H8Cl2O	249.9952	NA	KEGG	NA	NA
+MJ015343	4,4'-Dichlorobenzophenone 	C13H8Cl2O	249.99522	NA	MeJP	NA	NA
+MJ015344	Thienodolin 	C11H7ClN2OS	249.996761	NA	MeJP	NA	NA
+C09245	Thienodolin	C11H7ClN2OS	249.9968	NA	KEGG	NA	NA
+MJ015345	5,7-Dinitro-2,3-quinoxalinedione 	C8H2N4O6	249.997433	NA	MeJP	NA	NA
+MJ015346	7,8-Dichloro-9-methyl-?-carboline 	C12H8Cl2N2	250.006453	NA	MeJP	NA	NA
+MJ015347	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol 	C12H10O2S2	250.01222	NA	MeJP	NA	NA
+MJ015348	?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol; 2''-Hydroxy 	C12H10O2S2	250.01222	NA	MeJP	NA	NA
+MJ015349	3-Bromomethyl-3-chloro-7-methyl-1,6-octadiene 	C10H16BrCl	250.01239	NA	MeJP	NA	NA
+HMDB01474	3,4-Dihydroxyphenylglycol O-sulfate	C8H10O7S	250.01472	http://www.hmdb.ca/metabolites/HMDB01474	HMDB	NA	NA
+HMDB01474	3,4-Dihydroxyphenylglycol O-sulfate	C8H10O7S	250.01472	HMDB01474	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01474	3,4-Dihydroxyphenylglycol O-sulfate	C8H10O7S	250.014725	NA	HMDB2010	NA	NA
+MJ015350	Ajoene; 9-Oxide 	C9H14O2S3	250.015591	NA	MeJP	NA	NA
+MJ015351	1-(3,5-Dichloro-4-methoxyphenyl)-1,2-propanediol 	C10H12Cl2O3	250.016349	NA	MeJP	NA	NA
+C16152	Blue pigment	C10H6N2O6	250.0226	NA	KEGG	NA	NA
+C14216	4,4'-Sulfonyldiphenol	C12H10O4S	250.03	NA	KEGG	NA	NA
+C15123	1,1-Dichloro-2,2-diphenylethane	C14H12Cl2	250.0316	NA	KEGG	NA	NA
+C15410	1-(o-Chlorophenyl)-1-(p-chlorophenyl)ethane	C14H12Cl2	250.0316	NA	KEGG	NA	NA
+MJ015352	Pterulone; 6-Hydroxy 	C13H11ClO3	250.039671	NA	MeJP	NA	NA
+MJ015353	Perfragilin A 	C11H10N2O3S	250.041212	NA	MeJP	NA	NA
+MJ015354	2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid 	C13H8F2O3	250.04415	NA	MeJP	NA	NA
+C01691	Diflunisal	C13H8F2O3	250.0442	NA	KEGG	NA	NA
+CJneg0468	Hydroxyphenyllactic acid [(M-H)+(HCOONa)]-	C10H10NaO6	250.045925	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0468	Hydroxyphenyllactic acid [(M-H)+(HCOONa)]-	C10H10NaO6	250.045925	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07734	2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate	C12H10O6	250.0477	NA	KEGG	NA	NA
+C07735	Transferred to D00633	C12H10O6	250.0477	NA	KEGG	NA	NA
+MJ015355	2,2',4,4',5,5'-Biphenylhexol 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015356	2,2',4,4',6,6'-Biphenylhexol 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015357	2,3',4,5',6-Pentahydroxydiphenyl ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015358	2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone; 2-Me ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015359	2,5,7,8-Tetrahydroxy-1,4-naphthoquinone; 2,7-Di-Me ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015360	2,5,7,8-Tetrahydroxy-3,6-dimethyl-1,4-naphthoquinone 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015361	2-Ethyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015362	3-Ethyl-1,4,5,8-tetrahydroxy-2,6-naphthoquinone 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015363	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,6-Methylene, 7,8-di-Me ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015364	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 6,7-Methylene, 5,8-di-Me ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015365	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 7,8-Methylene, 5,6-di-Me ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015366	6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; 6-(Carboxymethyl) ether 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015367	6-Ethyl-2,5-dihydroxy-1,4-naphthoquinone; 3,7-Dihydroxy 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015368	Rhizosolaniol 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015369	Stenocarpin 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MJ015370	2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate 	C12H10O6	250.047738	NA	MeJP	NA	NA
+MetaCyc02271	6-(2-hydroxyphenoxy)-2-hydroxy-muconate [6-(2-hydroxyphenoxy)-2-hydroxy-muconic acid;2,3-hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate;]	C12H10O6	250.047738	NA	metacyc	NA	NA
+C07658	Sulfadiazine	C10H10N4O2S	250.0524	NA	KEGG	NA	NA
+MJ015371	Pirinidazole 	C10H10N4O2S	250.052446	NA	MeJP	NA	NA
+MJ015372	Sulfadiazine 	C10H10N4O2S	250.052446	NA	MeJP	NA	NA
+MJ015373	Sulfapyrazine 	C10H10N4O2S	250.052446	NA	MeJP	NA	NA
+MJ015374	Sulfapyridazine 	C10H10N4O2S	250.052446	NA	MeJP	NA	NA
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR425	Deoxyuridine F2	NA	250.058375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR425	Deoxyuridine F2	NA	250.058375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR425	Deoxyuridine F2	NA	250.058375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR425	Deoxyuridine F2	NA	250.058375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR425	Deoxyuridine F2	F2	250.058375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ015375	Rehmaglutin A; 7-Deoxy, 7?-chloro, 3?-methoxy 	C10H15ClO5	250.060801	NA	MeJP	NA	NA
+MJ015376	Rehmaglutin A; 7-Deoxy, 7?-chloro, 3?-methoxy 	C10H15ClO5	250.060801	NA	MeJP	NA	NA
+C00669	gamma-L-Glutamyl-L-cysteine	C8H14N2O5S	250.0623	NA	KEGG	NA	NA
+MJ015377	gamma-L-Glutamyl-L-cysteine 	C8H14N2O5S	250.062342	NA	MeJP	NA	NA
+MetaCyc02272	L-&gamma;-glutamylcysteine [&gamma;-glutamylcysteine;&gamma;-L-glutamyl-L-cysteine;]	C8H14N2O5S1	250.062342	686-58-8	metacyc	NA	NA
+HMDB01049	Gamma-Glutamylcysteine	C8H14N2O5S	250.062347	NA	HMDB2010	NA	NA
+HMDB01049	gamma-Glutamylcysteine	C8H14N2O5S	250.06235	http://www.hmdb.ca/metabolites/HMDB01049	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01049	gamma-Glutamylcysteine	C8H14N2O5S	250.06235	http://www.hmdb.ca/metabolites/HMDB01049	HMDB	NA	NA
+HMDB01049	Gamma-Glutamylcysteine	C8H14N2O5S	250.06235	NA  ;SYN:Thyroxine sulfate; Thyroxine sulfic acid;L-Thyroxine sulfate; T4S; 3,5,3',5'-tetraiodo-L-thyronine 4'-O-sulfate; 3-[4-(4-hydroxy-3,5-diiodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine; O-(4-hydroxy-3,5-diiodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine; 3,5,3',5'-tetraiodo-L-thyronine 4-O-sulfate; L-Thyroxine 4'-O-sulfateH2Blood	Inhouse_peptide	NA	peptide
+HMDB01049	gamma-Glutamylcysteine	C8H14N2O5S	250.06235	http://www.hmdb.ca/metabolites/HMDB01049	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01049	gamma-Glutamylcysteine	C8H14N2O5S	250.06235	HMDB01049	PFEM_hmdb_metabocards_official	NA	NA
+PJ000099	CE 	C8H14N2O5S	250.0624	NA	PeJP	NA	NA
+MJ015378	2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene 	C13H14O3S	250.066365	NA	MeJP	NA	NA
+MJ015379	2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene, S-Oxide 	C13H14O3S	250.066365	NA	MeJP	NA	NA
+MJ015380	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 3-Me, 3'-hydroxy 	C10H10N4O4	250.070204	NA	MeJP	NA	NA
+MJ015381	Midafotel 	C8H15N2O5P	250.071858	NA	MeJP	NA	NA
+MJ015382	1-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015383	10-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015384	11-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015385	2-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015386	3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione; N3-Me 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015387	4-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015388	5-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015389	5-Hydroxymethylcanthin-6-one 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015390	9-Hydroxycanthin-6-one; Me ether 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015391	Picrasidine L 	C15H10N2O2	250.074227	NA	MeJP	NA	NA
+MJ015392	Clofurac 	C14H15ClO2	250.076057	NA	MeJP	NA	NA
+MJ015393	Brassitin; 1-Methoxy 	C12H14N2O2S	250.077598	NA	MeJP	NA	NA
+C16765	Citrinin	C13H14O5	250.0841	NA	KEGG	NA	NA
+MJ015394	2-Acetyl-5,6-dimethoxybenzofuran; 4-Methoxy 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015395	3,4,6-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; Tri-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015396	3,4,8-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; Tri-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015397	3-(4-Hydroxyphenyl)-2-pentenedioic acid, 5-Et ester 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015398	4,6,7-Trihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; 4,6-Di-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015399	4,6,7-Trihydroxy-5-methyl-2H-1-benzopyran-2-one; Tri-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015400	4-Acetyl-3,4-dihydro-3,6,8-trihydroxy-3-methyl-1(2H)-naphthalenone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015401	4-Acetyl-6,8-dihydroxy-5-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015402	5,6,7-Trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 6,7-Di-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015403	5-Hydroxy-7-hydroxymethyl-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015404	6,8-Dihydroxy-3-(2-hydroxypropyl)-7-methyl-1H-2-benzopyran-1-one 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015405	Achilleppolide 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015406	Allamcin 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015407	Altholactone; 7a-Epimer, 6,7-dihydro, 7?-hydroxy 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015408	Arthropsolide D; 7-Ketone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015409	Caleteucrin 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015410	Citrinin 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015411	Diaporthin 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015412	Goniodiol; 5?-Hydroxy 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015413	Goniofufurone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015414	Goniofupyrone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015415	Goniopypyrone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015416	Macassaric acid 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015417	Papulinone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015418	Pseudotaxlactone 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015419	Rhacodione B; 6-Me ether 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015420	Salicifoliol 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015421	Samin 	C13H14O5	250.084123	NA	MeJP	NA	NA
+MJ015422	Olprinone 	C14H10N4O	250.08546	NA	MeJP	NA	NA
+C17222	2-(5'-Methylthio)pentylmalic acid	C10H18O5S	250.0875	NA	KEGG	NA	NA
+C17223	3-(5'-Methylthio)pentylmalic acid	C10H18O5S	250.0875	NA	KEGG	NA	NA
+MJ015423	5-Methoxy-5-(4-methoxyphenyl)-3-methyl-2,4-imidazolidinedione 	C12H14N2O4	250.095356	NA	MeJP	NA	NA
+MJ015424	Cyclo(seryltyrosyl) 	C12H14N2O4	250.095356	NA	MeJP	NA	NA
+MJ015425	Ruvazone 	C12H14N2O4	250.095356	NA	MeJP	NA	NA
+CJneg0469	Tryptophan isomer [(M-H)+(HCOOH)]-	C12H13N2O4	250.095925	C18rt(min)=5.26 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0469	Tryptophan isomer [(M-H)+(HCOOH)]-	C12H13N2O4	250.095925	C18rt(min)=5.26 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000100	TM 	C9H18N2O4S	250.0987	NA	PeJP	NA	NA
+MJ015426	2-(2-Phenylethyl)-4H-1-benzopyran-4-one 	C17H14O2	250.099379	NA	MeJP	NA	NA
+MJ015427	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran 	C17H14O2	250.099379	NA	MeJP	NA	NA
+MJ015428	Effusol; 9,10-Didehydro 	C17H14O2	250.099379	NA	MeJP	NA	NA
+C09007	Flindersiachromone	C17H14O2	250.0994	NA	KEGG	NA	NA
+MJ015429	6-(1-Hydroxypropyl)lumazine, 1,3-Di-Me 	C11H14N4O3	250.10659	NA	MeJP	NA	NA
+MJ015430	Aristeromycin M 	C11H14N4O3	250.10659	NA	MeJP	NA	NA
+MJ015431	Tubercidin; 5'-Deoxy 	C11H14N4O3	250.10659	NA	MeJP	NA	NA
+C07560	Methaqualone	C16H14N2O	250.1106	NA	KEGG	NA	NA
+C10642	Arborine	C16H14N2O	250.1106	NA	KEGG	NA	NA
+C10687	Glycophymoline	C16H14N2O	250.1106	NA	KEGG	NA	NA
+C15039	3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile	C16H14N2O	250.1106	NA	KEGG	NA	NA
+MJ015432	2-Benzyl-1-methyl-4(1H)-quinazolinone 	C16H14N2O	250.110613	NA	MeJP	NA	NA
+MJ015433	2-Benzyl-4-methoxyquinazoline 	C16H14N2O	250.110613	NA	MeJP	NA	NA
+MJ015434	Methaqualone 	C16H14N2O	250.110613	NA	MeJP	NA	NA
+MJ015435	Brasilenyne 	C15H19ClO	250.112442	NA	MeJP	NA	NA
+MJ015436	Laurenyne 	C15H19ClO	250.112442	NA	MeJP	NA	NA
+MJ015437	Pterosin H 	C15H19ClO	250.112442	NA	MeJP	NA	NA
+MJ015438	Venustinene 	C15H19ClO	250.112442	NA	MeJP	NA	NA
+7932	synthetic peptide	RYY	250.1135	MH2+	Inhouse_peptide	NA	peptide
+7935	synthetic peptide	YRY	250.1135	MH2+	Inhouse_peptide	NA	peptide
+7938	synthetic peptide	YYR	250.1135	MH2+	Inhouse_peptide	NA	peptide
+MJ015439	Pseudaminic acid 	C9H18N2O6	250.116486	NA	MeJP	NA	NA
+MJ015440	Echiguanine B 	C10H14N6O2	250.117823	NA	MeJP	NA	NA
+CJpos0633	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+	C14H19O4	250.119975	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0633	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+	C14H19O4	250.119975	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C09015	Methylripariochromene A	C14H18O4	250.1205	NA	KEGG	NA	NA
+C14468	Diisopropyl phthalate	C14H18O4	250.1205	NA	KEGG	NA	NA
+C14469	Di-n-propylphthalate	C14H18O4	250.1205	NA	KEGG	NA	NA
+MJ015441	1,4,8-Trihydroxy-13-nor-1,3,5,9-bisabolatetraen-11-one 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015442	1-(Tetrahydro-2-pyranyl)-7-nonene-3,5-diyne-1,2,9-triol 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015443	1-[3-Hydroxy-4-(hydroxymethyl)phenyl]-1,5-heptadiene-3,4-diol 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015444	11-Hydroxy-3-oxo-13-nor-7(11)-eudesmen-12,6-olide 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015445	13-Nor-4-oxo-7(11)-pseudoguaien-12,6-olide, 11-Hydroxy 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015446	2',4',6'-Trihydroxyacetophenone; 4'-O-(3-Methyl-2-butenyl), 2'-Me ether 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015447	2,4,6-Trihydroxy-3-prenylacetophenone; 2-Me ether 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015448	2,4,6-Trihydroxy-3-prenylacetophenone; 6-Me ether 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015449	2,4-Dihydroxy-6-methyl-3-prenylbenzoic acid; Me ester 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015450	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-(2-methylpropanoyl) 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015451	2-Formyl-3-hydroxybenzoic acid; Acid-form, Hexyl ester 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015452	3-Hexyl-3,7-dihydroxy-1(3H)-isobenzofuranone 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015453	4,5-Epoxy-11-hydroxy-13-nor-7(11)-guaien-12,8-olide 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015454	4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 3',4'-Di-Me ether, 1-Ac 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015455	6,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyran; 7-Methoxy 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015456	9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol, 8,9-Dihydro, 8,9-dihydroxy 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015457	Cinoxate 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015458	Gregatin B 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015459	Hyperolactone A 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015460	Illifunone, 2,3-Didehydro 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015461	Lachnumfuran A 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015462	Norsantolinidilactone A 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015463	Norsecoglutinosone 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015464	Panellol; 3-Ketone 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015465	Parvulenone; 1'-Et ether 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015466	Pterosin C, 11-Hydroxy 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015467	Pterosin T 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015468	Trichocolein 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015469	Vertinolide 	C14H18O4	250.120509	NA	MeJP	NA	NA
+MJ015470	liquinone 	C14H18O4	250.120509	NA	MeJP	NA	NA
+HMDB02012	Ubiquinone	C14H18O4	250.12051	http://www.hmdb.ca/metabolites/HMDB02012	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02012	Ubiquinone	C14H18O4	250.12051	http://www.hmdb.ca/metabolites/HMDB02012	HMDB	NA	NA
+HMDB02012	Ubiquinone	C14H18O4	250.12051	http://www.hmdb.ca/metabolites/HMDB02012	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02012	Ubiquinone	C14H18O4	250.12051	HMDB02012	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02012	Ubiquinone Q1	C14H18O4	250.120514	NA	HMDB2010	NA	NA
+MJ015471	4,8-Dimethyl-3-nonen-1-ol, O-Sulfate 	C11H22O4S	250.123879	NA	MeJP	NA	NA
+MJ015472	Flucindole 	C14H16F2N2	250.128154	NA	MeJP	NA	NA
+C03002	N-Caffeoylputrescine	C13H18N2O3	250.1317	NA	KEGG	NA	NA
+C17725	Heptabarbital	C13H18N2O3	250.1317	NA	KEGG	NA	NA
+MJ015473	4-Coumaroylputrescine; 4S-Hydroxy 	C13H18N2O3	250.131742	NA	MeJP	NA	NA
+MJ015474	Heptabarb 	C13H18N2O3	250.131742	NA	MeJP	NA	NA
+MJ015475	Paucine 	C13H18N2O3	250.131742	NA	MeJP	NA	NA
+MetaCyc02273	N-caffeoylputrescine []	C13H18N2O3	250.131742	NA	metacyc	NA	NA
+MJ015476	3-Phenyl-2-propen-1-ol, (1-Phenyl-2-propenyl) ether 	C18H18O	250.135765	NA	MeJP	NA	NA
+MJ015477	3-Phenyl-2-propen-1-ol, (3-Phenyl-1-propenyl) ether 	C18H18O	250.135765	NA	MeJP	NA	NA
+MJ015478	3-Phenyl-2-propen-1-ol, (3-Phenyl-2E-propenyl) ether 	C18H18O	250.135765	NA	MeJP	NA	NA
+MJ015479	9,10-Dihydro-2-hydroxy-1,6-dimethyl-7-vinylphenanthrene 	C18H18O	250.135765	NA	MeJP	NA	NA
+MJ015480	Estra-1,3,5,7,9-pentaen-17-one 	C18H18O	250.135765	NA	MeJP	NA	NA
+C14541	(R)-4'-Deoxyindenestrol	C18H18O	250.1358	NA	KEGG	NA	NA
+C14542	(S)-4'-Deoxyindenestrol	C18H18O	250.1358	NA	KEGG	NA	NA
+C14543	(R)-5-Deoxyindenestrol	C18H18O	250.1358	NA	KEGG	NA	NA
+C14544	(S)-5-Deoxyindenestrol	C18H18O	250.1358	NA	KEGG	NA	NA
+MJ015481	Benzenecarbothioic acid; SH-form, S-Octyl ester 	C15H22OS	250.139136	NA	MeJP	NA	NA
+MJ015482	2-Methyl-1-butanol, O-?-D-Glucopyranoside 	C11H22O6	250.141638	NA	MeJP	NA	NA
+MJ015483	Fructose; ?-D-Furanose-form, Pentyl glycoside 	C11H22O6	250.141638	NA	MeJP	NA	NA
+MJ015484	Verofylline 	C12H18N4O2	250.142975	NA	MeJP	NA	NA
+MJ015485	Xanthine; 7H-form, 1,3-Dipropyl, 7-Me 	C12H18N4O2	250.142975	NA	MeJP	NA	NA
+MJ015486	1,2,3,4-Tetrahydroellipticine 	C17H18N2	250.146998	NA	MeJP	NA	NA
+MJ015487	Amfetaminil 	C17H18N2	250.146998	NA	MeJP	NA	NA
+MJ015488	Dazepinil 	C17H18N2	250.146998	NA	MeJP	NA	NA
+MJ015489	Guatambuine, N-De-Me 	C17H18N2	250.146998	NA	MeJP	NA	NA
+MJ015490	Uleine, N-De-Me, didehydro 	C17H18N2	250.146998	NA	MeJP	NA	NA
+2575	tuftsin	TKPR	250.147	MH2+	Inhouse_peptide	NA	peptide
+3027	kentsin	TPRK	250.147	MH2+	Inhouse_peptide	NA	peptide
+3624	NA	TRKP	250.147	MH2+	Inhouse_peptide	NA	peptide
+3739	NA	TKRP	250.147	MH2+	Inhouse_peptide	NA	peptide
+MJ015491	6,10-Diamino-2,3,5-trihydroxydecanoic acid 	C10H22N2O5	250.152871	NA	MeJP	NA	NA
+HMDB05770	Tuftsin	C21H40N8O6	250.153534	MH2+	Inhouse_peptide	NA	peptide
+MJ015492	1(10),8-Aristoladien-2-one; 8,9-Dihydro, 9?-hydroperoxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015493	1,10-Epoxy-11(13)-eremophilen-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015494	1,10-Epoxy-11(13)-eremophilen-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015495	1,10-Epoxy-12-hydroxy-4-bicyclogermacren-15-al 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015496	1,10-Epoxy-3,7-farnesadiene-2,9-dione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015497	1,10-Epoxy-4-bicyclogermacren-15-al, 15-Carboxylic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015498	1,10:4,5-Diepoxy-7(11)-germacren-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015499	1,12-Dihydroxy-5,11(13)-eudesmadien-3-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015500	1,2-Dihydroxy-3-cedren-4-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015501	1,3,11(13)-Elematrien-12,8-olide, 11?,13-Dihydro, 3,4-epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015502	1,3,11(13)-Elematrien-12,8-olide, 15-Hydroxy, 11?,13-dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015503	1,3,5,7(14)-Bisabolatetraene-1,12,15-triol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015504	1,3,5,7-Bisabolatetraene-1,12,15-triol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015505	1,3-Dihydroxy-9,11-eremophiladien-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015506	1,4-Dihydroxy-7(11),9-guaiadien-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015507	1,5-Dihydroxy-1,3,5-bisabolatrien-10-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015508	1,7-Dihydroxy-2,9-illudadien-8-one, 8? -Alcohol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015509	1-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015510	1-Hydroxy-2,6,10-farnesatrien-15,1-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015511	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015512	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015513	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015514	1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015515	1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015516	1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015517	1-Hydroxy-4(15)-eudesmen-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015518	1-Hydroxy-4,10(14)-germacradien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015519	1-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015520	1-Hydroxy-4-eudesmen-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015521	1-Hydroxy-5,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015522	1-Hydroxy-5-eudesmen-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015523	1-Hydroxy-9,11-germacradien-15,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015524	10(14)-Aromadendrene-4,8,13-triol, 13-Aldehyde 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015525	10,12-Dihydroxy-3-longipinen-5-one; 10?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015526	10,12-Epoxy-2,7-nardosinanedione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015527	10-Hydroxy-4,11-cadinadien-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015528	10-Hydroxy-7(11)-eremophilen-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015529	11,15-Epoxy-15-hydroxy-7-drimen-6-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015530	11-Hydroxy-5-silphiperfolen-13-oic acid; 11?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015531	11-Hydroxy-6,9-eremophiladien-8-one; 11-Hydroperoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015532	11-Hydroxy-7-drimen-12,11-olide; 11?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015533	11-Hydroxy-8-drimen-12,11-olide; 11?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015534	11-Hydroxy-8-drimen-12,11-olide; 11?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015535	12,13-Epoxy-9-trichothecene; 12?-form, 8?-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015536	12,14-Dihydroxy-3(15),6-caryophylladien-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015537	12-Hydroxy-1(10),4,7(11)-germacratrien-8-one, 4?,5?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015538	12-Hydroxy-1(10),4-cadinadien-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015539	12-Hydroxy-1(10),7(11)-germacradiene-5,8-dione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015540	13-Hydroxy-3-longipinen-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015541	13-Hydroxy-4(15),7(11)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015542	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015543	15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015544	15-Hydroxy-2,6,10-farnesatrien-1,15-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015545	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015546	15-Hydroxy-4,10(14)-cadinadien-3-one; 10,14?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015547	15-Hydroxy-4,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015548	2,10-Bisaboladiene-1,12-diol; 1-Ketone, 12-carboxylic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015549	2,13-Dihydroxy-6-protoilluden-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015550	2,3-Epoxy-11-hydroxy-8-daucen-10-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015551	2,6,9-Humulatrien-14-ol; 14-Carboxylic acid, 9?,10?-epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015552	2-Hydroxy-1(10),11-guaiadien-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015553	2-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 2?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015554	2-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015555	2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015556	2-Hydroxy-4,7(11)-valerenadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015557	2-Hydroxy-5-eudesmen-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015558	2-Hydroxy-6-oxo-4-pinguisen-11-al; 2?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015559	2-Hydroxy-9,11(13)-eremophiladien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015560	2-Hydroxybenzoic acid; 2-Ethylhexyl ester 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015561	2-Isopropyl-5-methyl-1,4-benzenediol; 2-Me ether, 5-(2-methylpropanoyl) 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015562	2-Oxo-1(10),11(13)-eremophiladien-12-oic acid; 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015563	3(15),6-Caryophylladiene-4,8,9-triol, 4-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015564	3(15)-Longipinene-4,12,13-triol, 4-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015565	3,11(13)-Eudesmadien-12-oic acid; 3?,4?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015566	3,12-Dihydroxy-9,11(13)-eremophiladien-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015567	3,4-Dihydroxy-2(6)-africanen-5-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015568	3,7,8-Calamenenetriol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015569	3,7-Dihydroxy-2(9)-illuden-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015570	3,7-Dihydroxy-9,11-eremophiladien-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015571	3,8,14-Trihydroxy-6-lactaren-5,14-olide, 3,14-Dideoxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015572	3,9-Dihydroxy-1(10),11-spirovetivadien-2-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015573	3-(4-Hydroxyphenyl)propanoic acid; 4-Methylpentyl ester 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015574	3-Hydroxy-1(10),4-cadinadien-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015575	3-Hydroxy-1(10),4-germacradien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015576	3-Hydroxy-1(10)-germacren-12,6-olide, 3-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015577	3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015578	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015579	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015580	3-Hydroxy-4,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015581	3-Hydroxy-4,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015582	3-Hydroxy-4-isopropylbenzyl alcohol; 3-Me ether, 7-O-(2-methylpropanoyl) 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015583	3-Hydroxy-5,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015584	3-Hydroxy-7(11)-eremophilen-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015585	3-Hydroxy-7-drimen-12,11-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015586	3-Hydroxy-9,11(13)-eremophiladien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015587	3-Hydroxy-9,11-eremophiladien-8-one, 11S,12-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015588	3-Longipinene-12,15-diol; 12-Carboxylic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015589	3-Oxo-1(10)-germacren-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015590	3-Oxo-12,6-eudesmanolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015591	3-Oxo-4,11(13)-guaiadien-12-oic acid, 11,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015592	3-Scirpenol; 3?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015593	4(15),10(14),11-Germacratriene-1,5,9-triol, 1-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015594	4(15),11(13)-Eudesmadien-12-oic acid; 4?,15-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015595	4(15),11(13)-Eudesmadiene-7,12-diol; 7?-form, 12-Carboxylic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015596	4,10(14)-Oplopadiene-3,8,9-triol, 3-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015597	4,11(13)-Cadinadiene-12,15-diol, 15-Carboxylic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015598	4,11(13)-Eudesmadien-12-oic acid; 4?,5?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015599	4,11(13)-Eudesmadien-12-oic acid; 4?,5?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015600	4,5-Dihydroxy-7(11),9-guaiadien-8-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015601	4,5-Dioxo-4,5-seco-8-daucen-14-al 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015602	4,5-Epoxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015603	4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015604	4-Hydroxy-1(10),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015605	4-Hydroxy-1(5),11(13)-xanthadien-12-oic acid, 4-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015606	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015607	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015608	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015609	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 10?,14-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015610	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015611	4-Hydroxy-11(13)-amorphen-12,5-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015612	4-Hydroxy-11(13)-eudesmen-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015613	4-Hydroxy-11(13)-pseudoguaien-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015614	4-Hydroxy-2,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015615	4-Hydroxy-9-guaien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015616	4-Hydroxy-9-guaien-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015617	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3,11?,13-Tetrahydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015618	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 2,3,11?,13-Tetrahydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015619	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 4-Alcohol, 2,3-dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015620	4-Scirpenol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015621	5,10-Epoxy-1,3,5,8-bisabolatetraene-2,11-diol; 8,9-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015622	5,11-Epoxy-1,3,5-bisabolatriene-2,10-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015623	5,13-Dihydroxy-6-protoilluden-8-one; 5?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015624	5,14-Epoxy-5,7(14)-lactaradiene-2,8-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015625	5,14-Epoxy-5,7(14)-lactaradiene-3,8-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015626	5,14-Epoxy-5,7(14)-lactaradiene-4,8-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015627	5,14:7,8-Diepoxy-5-marasmanol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015628	5,6-Dihydroxy-7-protoilluden-14-al, 5-Ketone, 14-alcohol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015629	5,8-Epoxy-7(11),9-guaiadien-8-ol, 11?,12-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015630	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid, 1'-Deoxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015631	5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015632	5-(3-Hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015633	5-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 5?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015634	5-Hydroxy-3-cedren-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015635	5-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015636	5-Hydroxy-6-silphiperfolen-13-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015637	5-Oxo-1(10)-germacren-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015638	5-Oxo-3-amorphen-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015639	6,10-Epoxy-6-hydroxy-7-guaien-9-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015640	6,7-Epoxy-4(15)-hirsutene-1,5-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015641	6-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015642	6-Hydroxy-14-sesquilimonenoic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015643	6-Hydroxy-2-sterpuren-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015644	6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 12-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015645	6-Hydroxy-3(15),7(14)-caryophylladien-8-one; 6?-form, 12-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015646	6-Hydroxy-4(15)-eudesmen-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015647	6-Hydroxy-7(11)-eremophilen-12,8-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015648	6-Hydroxy-7-drimen-12,11-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015649	6-Hydroxy-8-drimen-11,12-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015650	7,10-Epoxy-2,6,10-trimethyl-1,11-dodecadiene-3,5-dione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015651	7,12-Dihydroxy-4-amorphen-3-one; 12-Deoxy, 8-oxo 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015652	7-Drimene-11,12-diol, 11-Carboxylic acid, 12-aldehyde 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015653	7-Hydroxy-11,12-drimanolide, 7-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015654	7-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015655	7-Hydroxy-4-acorene-3,8-dione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015656	7-Hydroxy-8-drimen-11,12-olide; 7?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015657	7-Hydroxy-8-drimen-12,11-olide; 7?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015658	8,10-Dihydroxy-3-longipinen-5-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015659	8,14-Dihydroxy-6-protoilluden-5-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015660	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015661	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015662	8-Hydroxy-1,3-elemadien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015663	8-Hydroxy-10(14)-guaien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015664	8-Hydroxy-2,6,10-farnesatrien-1,15-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015665	8-Hydroxy-3,9-germacradien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015666	8-Hydroxy-4(6)-lactaren-5,14-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015667	8-Hydroxy-4(6)-lactarene-5,14-diol, 5,14-Dialdehyde 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015668	8-Hydroxy-4,11(13)-eudesmadien-12-oic acid; 8?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015669	8-Oxo-2-humulen-15,1-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015670	9,15-Dihydroxy-4,10(14)-cadinadien-3-one 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015671	9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-5-ol, 6?,7?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015672	9-(4-Hydroxyphenyl)nonanoic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015673	9-Hydroxy-1,3-elemadien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015674	9-Hydroxy-3(15),6-caryophylladien-14-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015675	9-Hydroxy-3-eudesmen-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015676	9-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015677	9-Hydroxy-4,10(14)-germacradien-12,6-olide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015678	9-Hydroxy-4,11(13)-eudesmadien-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015679	9-Hydroxy-4,11-eudesmadien-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015680	9-Hydroxy-7-drimen-12,11-olide; 9?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015681	9-Hydroxy-7-drimene-11,12-dial; 9?-form 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015682	9-Oxo-11(13)-eremophilen-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015683	9-Oxo-2,7-bisaboladien-15-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015684	9-Oxo-2-bisabolen-15-oic acid, 10,11-Didehydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015685	9-Oxo-?-santalan-12-oic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015686	Abscisic alcohol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015687	Achillea millefolium Lactone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015688	Alliacolide; Deoxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015689	Alpinolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015690	Anguillosporal 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015691	Antibiotic AM 6898B 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015692	Antibiotic AM 6898D 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015693	Apotrichothecene; 3-Oxo 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015694	Arteannuin H 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015695	Arteannuin L 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015696	Artedouglasiaoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015697	Artedouglasiolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015698	Asteriscanolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015699	Bedfordiolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015700	Blennin C 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015701	Botrydienal; 11-Hydroxy, 2,3-didehydro, 10,15-bisalcohol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015702	Botrydienal; 12-Hydroxy, 2,3-didehydro, 10,15-bisalcohol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015703	Brassicadiol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015704	Candicansol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015705	Carabrone; 4?-Alcohol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015706	Carney's ketol; 10,11-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015707	Clitocybulol A 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015708	Coprinolone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015709	Cuprenolide; 14-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015710	Cybrodol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015711	Dacriniol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015712	Deodardione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015713	Fukinanolide; 9?-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015714	Furanoeremophilane-3,6-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015715	Furanoeremophilane-6,10-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015716	Furanoeudesmane-3,4-diol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015717	Hanalpinol; Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015718	Hebelophyllene H 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015719	Illudalenol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015720	Kanshone D; 2-Deoxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015721	Lactaronecatorin A 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015722	Lemnacarnol; 2-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015723	Lychnosalicifolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015724	Macrophyllic acid A; 4?,5?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015725	Macrophyllic acid A; 4?,5?-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015726	Macrophyllic acid B 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015727	Marasmene; 13-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015728	Marasmene; 14-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015729	Marasmene; 3?-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015730	Merulialol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015731	Millefolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015732	Mirabolide; 1-Hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015733	Myoporone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015734	Nardofuran 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015735	Nardosinone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015736	Ngaione 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015737	Nootkatin; 3',4'-Dihydro, 4'-hydroxy 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015738	Pallescensin 3; 4',5'-Dihydro 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015739	Parvinolide; 6,7-Epoxide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015740	Pentalenic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015741	Perillup ketol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015742	Plagiochiline K 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015743	Polygonal; 7-Ketone, Me ester 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015744	Ptychanolide 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015745	Ricciofuranol 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015746	Sambucinic acid 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015747	Sambucoin 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015748	Toxin FS1 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015749	Toxin FS2; 10-Ketone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015750	Trisporone 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015751	Vernopolyanthofuran 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015752	Xanthoxin 	C15H22O3	250.156894	NA	MeJP	NA	NA
+MJ015753	Yingzhaosu C 	C15H22O3	250.156894	NA	MeJP	NA	NA
+C09295	Arbusculin A	C15H22O3	250.1569	NA	KEGG	NA	NA
+C09689	Ipomoeamarone	C15H22O3	250.1569	NA	KEGG	NA	NA
+C09711	Piperdial	C15H22O3	250.1569	NA	KEGG	NA	NA
+C09748	Warburganal	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13453	Xanthoxin	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13456	Abscisic alcohol	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13457	Transferred to D01960	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13459	Transferred to D01961	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13460	Transferred to D01962	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13461	Transferred to D01963	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13462	Transferred to D01964	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13463	Transferred to D01965	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13464	Transferred to D01966	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13465	Transferred to D01967	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13466	Transferred to D01968	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13467	Transferred to D01969	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13468	Transferred to D01970	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13469	Transferred to D01971	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13470	Transferred to D01972	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13471	Transferred to D01973	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13472	Transferred to D01974	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13473	Transferred to D01975	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13474	Transferred to D01976	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13475	Transferred to D01977	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13476	Transferred to D01978	C15H22O3	250.1569	NA	KEGG	NA	NA
+C13477	Transferred to D01979	C15H22O3	250.1569	NA	KEGG	NA	NA
+C14716	2-Ethylhexyl-4-hydroxybenzoate	C15H22O3	250.1569	NA	KEGG	NA	NA
+C05318	cis-N-Methyl-(S)-7,8,13,14-tetrahydroprotoberberine	C18H20N	250.1596	NA	KEGG	NA	NA
+C05319	[Cytochrome c] S-methylmethionine	C7H13N2O2SR2	250.1596	NA	KEGG	NA	NA
+C05320	Histone N(omega)-methyl-L-arginine	C8H15N5O2R2	250.1596	NA	KEGG	NA	NA
+C05321	[Myeline basic protein] N(omega)-methyl-L-arginine	C8H15N5O2R2	250.1596	NA	KEGG	NA	NA
+C11766	Rivastigmine	C14H22N2O2	250.1681	NA	KEGG	NA	NA
+C16560	3-Hydroxylidocaine	C14H22N2O2	250.1681	NA	KEGG	NA	NA
+MJ015754	Camoensidine; 12S-Hydroxy 	C14H22N2O2	250.168127	NA	MeJP	NA	NA
+MJ015755	Camoensidine; 15-N-Oxide 	C14H22N2O2	250.168127	NA	MeJP	NA	NA
+MJ015756	Naepaine 	C14H22N2O2	250.168127	NA	MeJP	NA	NA
+MJ015757	Propetamide 	C14H22N2O2	250.168127	NA	MeJP	NA	NA
+MJ015758	Rivastigmine 	C14H22N2O2	250.168127	NA	MeJP	NA	NA
+MJ015759	Trifosmin 	C12H27O3P	250.169781	NA	MeJP	NA	NA
+MJ015760	3-Nonadecene-1,8,10,18-tetrayne 	C19H22	250.17215	NA	MeJP	NA	NA
+MJ015761	11-(2-Cyclopentenyl)undecanoic acid, 4,5-Didehydro 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015762	11-(2-Cyclopentenyl)undecanoic acid, 6,7-Didehydro 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015763	11-(2-Cyclopentenyl)undecanoic acid, 9,10-Didehydro 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015764	11-Hydroxy-4-guaien-3-one, Me ether 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015765	13,14,15,16-Tetranor-12,8-labdanolide 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015766	13,14,15,16-Tetranor-5-halimen-17-ol, 17-Carboxylic acid 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015767	13,14,15,16-Tetranor-8(17)-labden-12-oic acid 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015768	14(4?5),15(10?9)-Bisabeo-3-drimene-11-carboxylic acid 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015769	3,8,11-Tetradecatrien-1-ol, Ac 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015770	3-Methyl-6-(1-methylethenyl)-3,9-decadien-1-ol, Ac 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015771	5-(3,11-Dodecadienyl)dihydro-2(3H)-furanone 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015772	6,10,14-Hexadecatrienoic acid 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015773	6-Isopropenyl-3-methyl-9-decen-1-ol, 3,4-Didehydro, Ac 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015774	7,10,13-Hexadecatrienoic acid 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015775	8,11,14-Hexadecatrienoic acid 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015776	9,11,13-Tetradecatrien-1-ol, Ac 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015777	Senecrassidiol; 6-Deoxy, 5-oxo, 3-Me ether 	C16H26O2	250.19328	NA	MeJP	NA	NA
+MJ015778	Sollasin A 	C16H26O2	250.19328	NA	MeJP	NA	NA
+C16503	Methyl farnesoate	C16H26O2	250.1933	NA	KEGG	NA	NA
+C10771	Leontiformine	C15H26N2O	250.2045	NA	KEGG	NA	NA
+C10780	Retamine	C15H26N2O	250.2045	NA	KEGG	NA	NA
+MJ015779	14-Hydroxysparteine; 14?-form 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015780	4-Hydroxysparteine; 4?-form 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015781	7-Hydroxysparteine 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015782	Lamprolobine, Deoxo, 6-epimer 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015783	Leontiformine 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015784	Retamine 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015785	Sparteine, N16-Oxide 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015786	Thermopsamine 	C15H26N2O	250.204513	NA	MeJP	NA	NA
+MJ015787	3,4,7,11-Tetramethyl-6,10-tridecadienal 	C17H30O	250.229665	NA	MeJP	NA	NA
+MJ015788	3,6,9-Heptadecatriene, 6R*,7S*-Epoxide 	C17H30O	250.229665	NA	MeJP	NA	NA
+MJ015789	4,6,10,12-Tetramethyl-2,4-tridecadien-7-one 	C17H30O	250.229665	NA	MeJP	NA	NA
+MJ015790	8,11,14-Heptadecatrienal, 14,15-Dihydro 	C17H30O	250.229665	NA	MeJP	NA	NA
+MJ015791	9-Cycloheptadecen-1-one 	C17H30O	250.229665	NA	MeJP	NA	NA
+C15464	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone	C17H30O	250.2297	NA	KEGG	NA	NA
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR502	13-HPODE F4	NA	250.232125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR502	13-HPODE F4	NA	250.232125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR502	13-HPODE F4	NA	250.232125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR502	13-HPODE F4	NA	250.232125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR502	13-HPODE F4	F4	250.232125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ015792	Phlegmarine 	C16H30N2	250.240898	NA	MeJP	NA	NA
+C09892	Phlegmarine	C16H30N2	250.2409	NA	KEGG	NA	NA
+MJ015793	Iron(III) hypophosphite 	FeH6O6P3	250.872664	NA	MeJP	NA	NA
+MJ015794	Ferric fructose 	C6H10FeO7(-)	250.985419	NA	MeJP	NA	NA
+C11686	Uracil mustard	C8H11Cl2N3O2	251.0228	NA	KEGG	NA	NA
+MJ015795	Uramustine 	C8H11Cl2N3O2	251.022832	NA	MeJP	NA	NA
+MJ015796	Metronidazole; Phosphate (ester) 	C6H10N3O6P	251.030721	NA	MeJP	NA	NA
+MJ015797	Furoclausine A 	C15H9NO3	251.058243	NA	MeJP	NA	NA
+CJpos0634	Succinyladenosine [(M+H)-(C5H8O4)]+	C9H10N5O4	251.064875	C18rt(min)=4.7 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0634	Succinyladenosine [(M+H)-(C5H8O4)]+	C9H10N5O4	251.064875	C18rt(min)=4.7 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ015798	6-(1,2-Dicarboxyethylamino)purine 	C9H9N5O4	251.065453	NA	MeJP	NA	NA
+MJ015799	Flunidazole 	C11H10FN3O3	251.070619	NA	MeJP	NA	NA
+MJ015800	Pirprofen 	C13H14ClNO2	251.071306	NA	MeJP	NA	NA
+MJ015801	Aspartic acid, N-Phenylacetyl 	C12H13NO5	251.079372	NA	MeJP	NA	NA
+MJ015802	Phenylalanine, N-Carboxyacetyl 	C12H13NO5	251.079372	NA	MeJP	NA	NA
+MJ015803	Serine, N-(4-Hydroxycinnamoyl) 	C12H13NO5	251.079372	NA	MeJP	NA	NA
+MetaCyc02274	N-feruloylglycine []	C12H13N1O5	251.079373	NA	metacyc	NA	NA
+C02564	N-Feruloylglycine	C12H13NO5	251.0794	NA	KEGG	NA	NA
+MJ015804	Corallistine 	C10H13N5OS	251.08408	NA	MeJP	NA	NA
+MJ015805	Cycloguanil 	C11H14ClN5	251.093773	NA	MeJP	NA	NA
+MJ015806	2,3-Dihydroxy-4-phenylquinoline; Me ether 	C16H13NO2	251.094628	NA	MeJP	NA	NA
+MJ015807	2,4-Dihydroxy-3-phenylquinoline; NH-form, N-Me 	C16H13NO2	251.094628	NA	MeJP	NA	NA
+MJ015808	2-(4-Hydroxyphenyl)-1-methyl-4(1H)-quinolinone 	C16H13NO2	251.094628	NA	MeJP	NA	NA
+MJ015809	4,5-Dihydroxy-2-phenylquinoline; NH-form, N-Me 	C16H13NO2	251.094628	NA	MeJP	NA	NA
+MJ015810	Vasconine; O8-De-Me 	C16H14NO2(+)	251.094628	NA	MeJP	NA	NA
+HMDB03254	Muramic acid	C9H17NO7	251.10049	http://www.hmdb.ca/metabolites/HMDB03254	HMDB	NA	NA
+HMDB03254	Muramic acid	C9H17NO7	251.10049	HMDB03254	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03254	Muramic acid	C9H17NO7	251.100494	NA	HMDB2010	NA	NA
+C06470	Muramic acid	C9H17NO7	251.1005	NA	KEGG	NA	NA
+MJ015811	3-Amino-3,6-dideoxyglucose, N-(2S,3-Dihydroxypropanoyl) 	C9H17NO7	251.100501	NA	MeJP	NA	NA
+MJ015812	Fructose amino acids; Fructosealanine-form 	C9H17NO7	251.100501	NA	MeJP	NA	NA
+MJ015813	Muramic acid 	C9H17NO7	251.100501	NA	MeJP	NA	NA
+C00559	Deoxyadenosine	C10H13N5O3	251.1018	NA	KEGG	NA	NA
+C00560	Gelatin type I	C10H13N5O3	251.1018	NA	KEGG	NA	NA
+C05198	5'-Deoxyadenosine	C10H13N5O3	251.1018	NA	KEGG	NA	NA
+C05199	Flavodoxin semiquinone	C10H13N5O3	251.1018	NA	KEGG	NA	NA
+C08431	Cordycepin	C10H13N5O3	251.1018	NA	KEGG	NA	NA
+HMDB00101	Deoxyadenosine	C10H13N5O3	251.101837	NA	HMDB2010	NA	NA
+HMDB01983	5'-Deoxyadenosine	C10H13N5O3	251.101837	NA	HMDB2010	NA	NA
+MJ015814	Deoxyadenosine 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MJ015815	2'-Deoxyadenosine 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MJ015816	2-Amino-1,9-dihydro-9-[2-hydroxy-3-(hydroxymethyl)cyclobutyl]-6H-purin-6-one 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MJ015817	6-(1-Hydroxypropyl)-8-methylisoxanthopterin 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MJ015818	Biopterin, 3-Me 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MJ015819	Cordycepin 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MJ015820	Oxetanocin 	C10H13N5O3	251.101839	NA	MeJP	NA	NA
+MetaCyc02275	deoxyadenosine [2'-deoxyadenosine;]	C10H13N5O3	251.101839	958-09-8	metacyc	NA	NA
+MetaCyc02276	5'-deoxyadenosine [5'-deoxyadenosine;CH3Ado;]	C10H13N5O3	251.101839	NA	metacyc	NA	NA
+HMDB00101	Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB00101	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01983	5'-Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB01983	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00101	Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB00101	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01983	5'-Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB01983	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00101	Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB00101	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01983	5'-Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB01983	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00101	Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB00101	HMDB	NA	NA
+HMDB01983	5'-Deoxyadenosine	C10H13N5O3	251.10184	http://www.hmdb.ca/metabolites/HMDB01983	HMDB	NA	NA
+HMDB00101	Deoxyadenosine	C10H13N5O3	251.10184	HMDB00101	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01983	5'-Deoxyadenosine	C10H13N5O3	251.10184	HMDB01983	PFEM_hmdb_metabocards_official	NA	NA
+C02517	3-Oxohexobarbital	C12H15N2O4	251.1032	NA	KEGG	NA	NA
+MJ015821	Eudistomin A; ?1'-Isomer, 3',4'-dihydro, debromo 	C15H13N3O	251.105862	NA	MeJP	NA	NA
+MJ015822	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-2-methylisoquinoline; Me ether, N-de-Me, N-Formyl 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015823	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinoline; N-Ac 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015824	3,4-Dihydro-5,6,7-trimethoxy-2-methyl-1(2H)-isoquinolinone 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015825	5,6,7,8-Tetramethoxyisoquinoline; 3,4-Dihydro 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015826	Alibendol 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015827	Anhalonidine, N-Formyl 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015828	Anisomycin, O-De-Me 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015829	N-(1-Carboxyethyl)phenylalanine, 1-Me ester 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+MJ015830	Simplexine 	C13H17NO4	251.115758	NA	MeJP	NA	NA
+C01657	Ac-Tyr-OEt	C13H17NO4	251.1158	NA	KEGG	NA	NA
+C01658	Acid amide	CHNOR2	251.1158	NA	KEGG	NA	NA
+MJ015831	Picodralazine 	C14H13N5	251.117095	NA	MeJP	NA	NA
+CJpos0635	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ (13C)	C1313CH19O4	251.123275	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0635	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+ (13C)	C1313CH19O4	251.123275	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+3298	NA	HHPL	251.126	MH2+	Inhouse_peptide	NA	peptide
+3299	NA	LHPH	251.126	MH2+	Inhouse_peptide	NA	peptide
+3303	NA	HPLH	251.126	MH2+	Inhouse_peptide	NA	peptide
+3306	NA	HPHL	251.126	MH2+	Inhouse_peptide	NA	peptide
+3308	NA	HHLP	251.126	MH2+	Inhouse_peptide	NA	peptide
+3313	NA	PLHH	251.126	MH2+	Inhouse_peptide	NA	peptide
+3315	NA	HLHP	251.126	MH2+	Inhouse_peptide	NA	peptide
+3316	NA	HLPH	251.126	MH2+	Inhouse_peptide	NA	peptide
+3318	NA	LPHH	251.126	MH2+	Inhouse_peptide	NA	peptide
+MJ015832	2-Nonene-6,8-diynoic acid, 2-Phenylethylamide 	C17H17NO	251.131014	NA	MeJP	NA	NA
+MJ015833	N-2-Phenylethylcinnamamide 	C17H17NO	251.131014	NA	MeJP	NA	NA
+MJ015834	2-[[(7-Fluoro-2,3-dihydro-1H-inden-4-yl)oxy]methyl]morpholine 	C14H18FNO2	251.132157	NA	MeJP	NA	NA
+MJ015835	Esproquine 	C14H21NOS	251.134384	NA	MeJP	NA	NA
+MJ015836	Dimethazan 	C11H17N5O2	251.138224	NA	MeJP	NA	NA
+MJ015837	Besipirdine 	C16H17N3	251.142247	NA	MeJP	NA	NA
+MJ015838	Midaglizole 	C16H17N3	251.142247	NA	MeJP	NA	NA
+MJ015839	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline; Me ether 	C14H21NO3	251.152143	NA	MeJP	NA	NA
+MJ015840	Dihydrosecurinine; Natural-form, 12,13?-Dihydro, 4-methoxy 	C14H21NO3	251.152143	NA	MeJP	NA	NA
+MJ015841	Pivenfrine 	C14H21NO3	251.152143	NA	MeJP	NA	NA
+MJ015842	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinoline; N-Me 	C14H22NO3(+)	251.152143	NA	MeJP	NA	NA
+MJ015843	Arglecin 	C12H21N5O	251.17461	NA	MeJP	NA	NA
+C17464	Nupharamine	C15H25NO2	251.1885	NA	KEGG	NA	NA
+MJ015844	2,3-Dihydro-1-(2-methyl-3-oxodecanoyl)pyrrole 	C15H25NO2	251.188529	NA	MeJP	NA	NA
+MJ015845	Edronocaine 	C15H25NO2	251.188529	NA	MeJP	NA	NA
+MJ015846	Nupharamine 	C15H25NO2	251.188529	NA	MeJP	NA	NA
+MJ015847	Xibenolol 	C15H25NO2	251.188529	NA	MeJP	NA	NA
+MJ015848	2,4-Dodecadienoic acid, 2-Methylpropylamide 	C16H29NO	251.224914	NA	MeJP	NA	NA
+MJ015849	2,8-Dodecadienoic acid, 2-Methylpropylamide 	C16H29NO	251.224914	NA	MeJP	NA	NA
+MJ015850	5-(4-Heptenyl)indolizidine; 6'?-Hydroxy 	C16H29NO	251.224914	NA	MeJP	NA	NA
+MJ015851	Dendrobates Alkaloid 251D 	C16H29NO	251.224914	NA	MeJP	NA	NA
+MJ015852	Deoxypumiliotoxin 251H 	C16H29NO	251.224914	NA	MeJP	NA	NA
+MJ015853	2,5-Dialkylpyrrolidines; 2-Butyl-5-nonylpyrrolidine, 8'',9''-Didehydro 	C17H33N	251.2613	NA	MeJP	NA	NA
+MJ015854	2,5-Dialkylpyrrolidines; 2-Heptyl-5-(5-hexenyl)pyrrolidine 	C17H33N	251.2613	NA	MeJP	NA	NA
+MJ015855	2-Methyl-6-undecylpiperidine, 1,2-Didehydro 	C17H33N	251.2613	NA	MeJP	NA	NA
+MJ015856	6-Ethyl-8-(2-hydroxyethyl)-5-pentylindolizidine; Deoxy 	C17H33N	251.2613	NA	MeJP	NA	NA
+3291	bovine kappa-casein fr,113-116	NQDK	251.6109	MH2+	Inhouse_peptide	NA	peptide
+6989	coeliac toxic peptide	QPYP	251.6125	MH2+	Inhouse_peptide	NA	peptide
+7896	peptide from human milk b-casein (170-173)	PYPQ	251.6125	MH2+	Inhouse_peptide	NA	peptide
+8020	synthetic peptide	LWW	251.621	MH2+	Inhouse_peptide	NA	peptide
+2705	erythromycin inhibitor	MVVGV	251.6327	MH2+	Inhouse_peptide	NA	peptide
+MJ015857	gamma-Pentachlorocyclohexene 	C6H5Cl5	251.883388	NA	MeJP	NA	NA
+MetaCyc02277	&gamma;-pentachlorocyclohexene [&gamma;-PCCH;&gamma;-pentachlorocyclohexane;]	C6H5CL5	251.883389	NA	metacyc	NA	NA
+C06596	gamma-Pentachlorocyclohexene	C6H5Cl5	251.8834	NA	KEGG	NA	NA
+C16182	beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol	C6H8Cl4O2	251.9278	NA	KEGG	NA	NA
+MJ015858	2-Iodo-1,3,5-benzenetriol 	C6H5IO3	251.928337	NA	MeJP	NA	NA
+MJ015859	2-(4'-Chlorophenyl)-3,3-dichloropropenoate 	C9H7Cl3O2	251.951162	NA	MeJP	NA	NA
+C11146	Methylmercury chloride	CH3ClHg	251.963	NA	KEGG	NA	NA
+CJpos0636	Citric acid [(M-H)+Na+K]+	C6H7O7NaK	251.964275	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0636	Citric acid [(M-H)+Na+K]+	C6H7O7NaK	251.964275	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C15239	8-Hydroxy-3,4-dichlorodibenzofuran	C12H6Cl2O2	251.9745	NA	KEGG	NA	NA
+C15240	6-Hydroxy-3,4-dichlorodibenzofuran	C12H6Cl2O2	251.9745	NA	KEGG	NA	NA
+C15243	3-Hydroxy-2,8-dichlorodibenzofuran	C12H6Cl2O2	251.9745	NA	KEGG	NA	NA
+C15245	7-Hydroxy-3,4-dichlorodibenzofuran	C12H6Cl2O2	251.9745	NA	KEGG	NA	NA
+C15246	9-Hydroxy-3,4-dichlorodibenzofuran	C12H6Cl2O2	251.9745	NA	KEGG	NA	NA
+C15247	9-Hydroxy-2,6-dichlorodibenzofuran	C12H6Cl2O2	251.9745	NA	KEGG	NA	NA
+C17102	Cartilagineal	C10H11Cl3O	251.9875	NA	KEGG	NA	NA
+MJ015860	Cartilagineal 	C10H11Cl3O	251.987548	NA	MeJP	NA	NA
+MJ015861	6-Bromo-1H-indole-3-acetic acid; Amide 	C10H9BrN2O	251.989825	NA	MeJP	NA	NA
+MJ015862	Helitenuone 	C12H9ClO2S	252.001177	NA	MeJP	NA	NA
+MJ015863	Di-2-pyridinyl disulfide; N,N'-Dioxide 	C10H8N2O2S2	252.002718	NA	MeJP	NA	NA
+C06587	2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate	C12H9ClO4	252.0189	NA	KEGG	NA	NA
+MJ015864	2-Hydroxy-6-oxo-6-(4'-chlorophenyl)-hexa-2,4-dienoate 	C12H9ClO4	252.018936	NA	MeJP	NA	NA
+MJ015865	3,4,8-Trihydroxy-2-oxo-2H-1-benzopyran-5-carboxylic acid; 4-Me ether 	C11H8O7	252.027002	NA	MeJP	NA	NA
+MJ015866	Orelline; Di-N-oxide 	C10H8N2O6	252.038235	NA	MeJP	NA	NA
+MJ015867	1,2-Methylenedioxyanthraquinone 	C15H8O4	252.042258	NA	MeJP	NA	NA
+MJ015868	1-Hydroxyanthraquinone-2-carboxaldehyde 	C15H8O4	252.042258	NA	MeJP	NA	NA
+MJ015869	3-Hydroxyanthraquinone-2-carboxaldehyde 	C15H8O4	252.042258	NA	MeJP	NA	NA
+MJ015870	Acuminol A 	C15H8O4	252.042258	NA	MeJP	NA	NA
+C10374	Morindaparvin A	C15H8O4	252.0423	NA	KEGG	NA	NA
+MJ015871	6,7-Dihydroxy-5-methyl-4-(methylthio)-2H-1-benzopyran-2-one; 6-Me ether 	C12H12O4S	252.045629	NA	MeJP	NA	NA
+MJ015872	11-Hydroxycanthin-6-one; N-Oxide 	C14H8N2O3	252.053492	NA	MeJP	NA	NA
+MJ015873	9-Hydroxycanthin-6-one; N3-Oxide 	C14H8N2O3	252.053492	NA	MeJP	NA	NA
+MJ015874	4-Hydroxy-4-(4-methoxyphenyl)-1-methyl-5-thioxo-2-imidazolidinone 	C11H12N2O3S	252.056862	NA	MeJP	NA	NA
+MJ015875	N-Hydroxy-5,6-dimethoxybenzo[b]thiophene-2-carboximidamide 	C11H12N2O3S	252.056862	NA	MeJP	NA	NA
+C17242	S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine	C8H16N2O3S2	252.0602	NA	KEGG	NA	NA
+PJ000101	CM 	C8H16N2O3S2	252.0602	NA	PeJP	NA	NA
+MJ015876	2,3-Dihydroxypropanoic acid, 2-O-(E-p-Hydroxycinnamoyl) 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015877	2,3-Dihydroxypropanoic acid, 2-O-(Z-p-Hydroxycinnamoyl) 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015878	2,4,6-Triacetyl-1,3,5-benzenetriol 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015879	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,6,7-Tri-Me ether 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015880	6,7,8-Trihydroxy-3-hydroxymethyl-1H-2-benzopyran-1-one; 6,7-Di-Me ether 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015881	Apodophyllone 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015882	Cladobotrin III 	C12H12O6	252.063388	NA	MeJP	NA	NA
+MJ015883	5-Amino-3-(2-pentenyl)thiazolo[4,5-d]pyrimidine-2,7(3H,4H)-dione 	C10H12N4O2S	252.068096	NA	MeJP	NA	NA
+C05648	5-Hydroxy-N-formylkynurenine	C11H12N2O5	252.0746	NA	KEGG	NA	NA
+HMDB04086	5-Hydroxy-N-formylkynurenine	C11H12N2O5	252.074615	NA	HMDB2010	NA	NA
+HMDB04086	5-Hydroxy-N-formylkynurenine	C11H12N2O5	252.07462	http://www.hmdb.ca/metabolites/HMDB04086	HMDB	NA	NA
+HMDB04086	5-Hydroxy-N-formylkynurenine	C11H12N2O5	252.07462	HMDB04086	PFEM_hmdb_metabocards_official	NA	NA
+MJ015884	5-Hydroxy-N-formylkynurenine 	C11H12N2O5	252.074621	NA	MeJP	NA	NA
+MJ015885	Lucartamide 	C12H16N2S2	252.075489	NA	MeJP	NA	NA
+C03074	4'-O-Methylisoflavone	C16H12O3	252.0786	NA	KEGG	NA	NA
+C15111	1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone	C16H12O3	252.0786	NA	KEGG	NA	NA
+C15616	7-Methoxyisoflavone	C16H12O3	252.0786	NA	KEGG	NA	NA
+FL3F19NS0001	7-Methoxyflavone	C16H12O3	252.07864	22395-22-8	knapsack	NA	NA
+FL3F99NS0004	6-Methoxyflavone	C16H12O3	252.07864	26964-24-9	knapsack	NA	NA
+FLIA19NM0001	7-Hydroxy-2-methylisoflavone	C16H12O3	252.07864	2859-88-3	knapsack	NA	NA
+MJ015886	1-Hydroxy-2,3-dimethylanthraquinone 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015887	1-Hydroxy-3-methylanthraquinone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015888	2'-Hydroxyflavone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015889	2,7-Dihydroxy-8-methyl-4-phenanthrenecarboxaldehyde 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015890	2-(4-Hydroxyphenyl)-3-methyl-5-benzofurancarboxaldehyde 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015891	2-(4-Methoxyphenyl)-1,3-indanedione 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015892	2-Hydroxy-3-methylanthraquinone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015893	3'-Hydroxyflavone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015894	3-Hydroxy-2,8-dimethyl-1,4-phenanthraquinone 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015895	4'-Hydroxyflavone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015896	6-Hydroxyflavone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015897	7-Hydroxy-2-methylisoflavone 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015898	7-Hydroxyflavone; Me ether 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015899	Nordracorhodin 	C16H12O3	252.078644	NA	MeJP	NA	NA
+MJ015900	4-O-(1-Carboxyethyl)mannose 	C9H16O8	252.084517	NA	MeJP	NA	NA
+HMDB00071	Deoxyinosine	C10H12N4O4	252.08585	http://www.hmdb.ca/metabolites/HMDB00071	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00071	Deoxyinosine	C10H12N4O4	252.08585	http://www.hmdb.ca/metabolites/HMDB00071	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00071	Deoxyinosine	C10H12N4O4	252.08585	http://www.hmdb.ca/metabolites/HMDB00071	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00071	Deoxyinosine	C10H12N4O4	252.08585	http://www.hmdb.ca/metabolites/HMDB00071	HMDB	NA	NA
+HMDB00071	Deoxyinosine	C10H12N4O4	252.08585	HMDB00071	PFEM_hmdb_metabocards_official	NA	NA
+MJ015901	2'-Deoxyinosine 	C10H12N4O4	252.085854	NA	MeJP	NA	NA
+MJ015902	Cytosinine 	C10H12N4O4	252.085854	NA	MeJP	NA	NA
+MJ015903	Nebularine 	C10H12N4O4	252.085854	NA	MeJP	NA	NA
+MetaCyc02278	deoxyinosine [2-deoxyinosine;]	C10H12N4O4	252.085855	890-38-0	metacyc	NA	NA
+HMDB00071	Deoxyinosine	C10H12N4O4	252.085861	NA	HMDB2010	NA	NA
+C01736	Nebularine	C10H12N4O4	252.0859	NA	KEGG	NA	NA
+C05512	Deoxyinosine	C10H12N4O4	252.0859	NA	KEGG	NA	NA
+C15586	N-D-Ribosylpurine	C10H12N4O4	252.0859	NA	KEGG	NA	NA
+MJ015904	4-(3-Phosphonopropyl)-2-piperazinecarboxylic acid 	C8H17N2O5P	252.087508	NA	MeJP	NA	NA
+MJ015905	4-Phenyl-3,5-pyrazolidinedione, N1-Ph 	C15H12N2O2	252.089877	NA	MeJP	NA	NA
+MJ015906	5,11-Dihydro-10H-dibenz[b,f]azepin-10-one; N-Carbamoyl 	C15H12N2O2	252.089877	NA	MeJP	NA	NA
+MJ015907	5,5-Diphenyl-2,4-imidazolidinedione 	C15H12N2O2	252.089877	NA	MeJP	NA	NA
+MJ015908	Halfordinol; Me ether 	C15H12N2O2	252.089877	NA	MeJP	NA	NA
+C07443	Phenytoin	C15H12N2O2	252.0899	NA	KEGG	NA	NA
+C07492	Oxcarbazepine	C15H12N2O2	252.0899	NA	KEGG	NA	NA
+C07496	Carbamazepine-10,11-epoxide	C15H12N2O2	252.0899	NA	KEGG	NA	NA
+C16601	2-Hydroxycarbamazepine	C15H12N2O2	252.0899	NA	KEGG	NA	NA
+C16602	3-Hydroxycarbamazepine	C15H12N2O2	252.0899	NA	KEGG	NA	NA
+MJ015909	6-(2-Chloroethyl)-2-hydroxymethyl-5,7-dimethyl-1-indanone 	C14H17ClO2	252.091707	NA	MeJP	NA	NA
+MJ015910	Pterosin J 	C14H17ClO2	252.091707	NA	MeJP	NA	NA
+MJ015911	Pterosin N; 4-Deoxy, 4-chloro 	C14H17ClO2	252.091707	NA	MeJP	NA	NA
+C07535	Benzo[a]pyrene	C20H12	252.0939	NA	KEGG	NA	NA
+C14320	Benzo[b]fluoranthene	C20H12	252.0939	NA	KEGG	NA	NA
+C14321	Benzo[k]fluoranthene	C20H12	252.0939	NA	KEGG	NA	NA
+C14435	Benzo[e]pyrene	C20H12	252.0939	NA	KEGG	NA	NA
+MetaCyc02279	cycasin []	C8H16N2O7	252.095751	14901-08-7	metacyc	NA	NA
+C01418	Cycasin	C8H16N2O7	252.0958	NA	KEGG	NA	NA
+MJ015912	2,6-Diamino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purine 	C9H12N6O3	252.097088	NA	MeJP	NA	NA
+MJ015913	Anatoxin a(s) 	C7H17N4O4P	252.098741	NA	MeJP	NA	NA
+MJ015914	1-(2,4,6-Trimethoxyphenyl)-1,3-butanedione 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015915	1-Ethoxy-3,4-dihydro-8-hydroxy-6-methoxy-1H-2-benzopyran-7-carboxaldehyde 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015916	1-O-Coumaroylglycerol, 4'-Me ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015917	2,3-Dihydro-5,6,7-trihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 6,7-Di-Me ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015918	2,4,6-Trihydroxy-3-methyl-5-(3-methyl-1-oxobutyl)benzaldehyde 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015919	2,4-Dihydroxy-6-(4-hydroxy-2-oxopentyl)-3-methylbenzaldehyde 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015920	2,5,7-Trihydroxy-2-isopropyl-4-chromanone; 7-Me ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015921	2-Formyl-3-(hydroxymethyl)-6-methoxy-5-methylbenzoic acid; Lactol-form, Et ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015922	2-O-Coumaroylglycerol, 4'-Me ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015923	3,4-Dihydro-3,6,8-trihydroxy-3,5,7-trimethyl-1H-2-benzopyran-1-one; 4-Methyl 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015924	3-(2,3,4,5-Tetrahydroxyphenyl)-2-propen-1-ol, Aldehyde, tetra-Me ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015925	3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, Me ester 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015926	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, Me ester 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015927	3-Ethoxy-4-hydroxymethyl-7-methoxy-6-methyl-1(3H)-isobenzofuranone 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015928	4-Hydroxy-2-(2,4,5-trimethoxyphenyl)-2-butenal 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015929	6-Acetyl-3,4-dihydro-3,4,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015930	Antibiotic LL-D253? 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015931	Antibiotic WAP 4068A; Antibiotic WAP 4068A1 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015932	Arthropsolide D 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015933	Coniferaldehyde, 4'-O-(2-Hydroxy-1-hydroxymethylethyl) 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015934	Goniodiol; 4?-Hydroxy, 3,4-dihydro 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015935	Goniodiol; 5?-Hydroxy, 3,4-dihydro, 1',2'-diepimer 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015936	Leiocarpin C 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015937	Nothoapiole 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015938	Phomalone; 2',3'-Didehydro 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015939	Pyrenochaetic acid A; 2',3'-Dihydro, 3'-hydroxy 	C13H16O5	252.099773	NA	MeJP	NA	NA
+MJ015940	Radicinol; 4-Epimer, 4-Me ether 	C13H16O5	252.099773	NA	MeJP	NA	NA
+3563	ACE inhibitor	AY	252.1	ACE inhibitor	Inhouse_peptide	NA	peptide
+7589	ACE inhibitor	YA	252.1	antioxidative	Inhouse_peptide	NA	peptide
+7685	ACE inhibitor from garlic	SF	252.1	antioxidative	Inhouse_peptide	NA	peptide
+7866	peptide from Okara protein	AY	252.1	antioxidative	Inhouse_peptide	NA	peptide
+MJ015941	4-[(6,7-Dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]benzonitrile 	C14H12N4O	252.101111	NA	MeJP	NA	NA
+7842	ACE inhibitor	HP	252.11	immunomodulating	Inhouse_peptide	NA	peptide
+7843	ACE inhibitor	PH	252.11	immunomodulating	Inhouse_peptide	NA	peptide
+CJpos0637	Phe Ser Ser Phe [(M+H)]+	C12H17N2O4	252.110475	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0637	Phe Ser § Ser Phe [(M+H)]+	C12H17N2O4	252.110475	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C03068	3-Hydroxyhexobarbital	C12H16N2O4	252.111	NA	KEGG	NA	NA
+PJ000102	AY 	C12H16N2O4	252.111	NA	PeJP	NA	NA
+MJ015942	2,5-Diamino-4-hydroxypentanoic acid, N5-Benzoyl 	C12H16N2O4	252.111007	NA	MeJP	NA	NA
+MJ015943	2-(4-Hydroxy-3-nitrophenyl)ethylamine; N-(2-Methylpropanoyl) 	C12H16N2O4	252.111007	NA	MeJP	NA	NA
+MJ015944	Glutamic acid, N-(2-Pyridinylethyl) 	C12H16N2O4	252.111007	NA	MeJP	NA	NA
+MJ015945	N-?-Alanyltyrosine 	C12H16N2O4	252.111007	NA	MeJP	NA	NA
+C10628	cis-Hinokiresinol	C17H16O2	252.115	NA	KEGG	NA	NA
+C14897	p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol	C17H16O2	252.115	NA	KEGG	NA	NA
+MJ015946	1,5-Bis(4-hydroxyphenyl)-1,4-pentadiene 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015947	2,3,5,6-Tetramethylxanthone 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015948	2-Phenylethanol; Cinnamoyl 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015949	6,7-Dihydroxy-1,2-dimethylphenanthrene; 7-Me ether 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015950	Effusol 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015951	Flindersiachromanone 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015952	Hinokiresinol 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015953	Sequirin D 	C17H16O2	252.115029	NA	MeJP	NA	NA
+MJ015954	Cimetidine 	C10H16N6S	252.115715	NA	MeJP	NA	NA
+MJ015955	2,3-Butanediol, O-?-D-Glucopyranoside 	C10H20O7	252.120902	NA	MeJP	NA	NA
+MJ015956	2-Methyl-1,2-propanediol; 2-O-?-D-Glucopyranoside 	C10H20O7	252.120902	NA	MeJP	NA	NA
+PJ000103	PH 	C11H16N4O3	252.1223	NA	PeJP	NA	NA
+MJ015957	Elymoclavine; 5,10-Didehydro 	C16H16N2O	252.126263	NA	MeJP	NA	NA
+MJ015958	Glycozolone A 	C16H16N2O	252.126263	NA	MeJP	NA	NA
+3290	NA	KRDS	252.12695	MH2+	Inhouse_peptide	NA	peptide
+MJ015959	2-(3-Chloro-1,3-dimethylcyclohexyl)-5-methylphenol 	C15H21ClO	252.128093	NA	MeJP	NA	NA
+MJ015960	2-(4-Chloro-1,3-dimethylcyclohexyl)-5-methylphenol 	C15H21ClO	252.128093	NA	MeJP	NA	NA
+MJ015961	4-Chloro-3,7-chamigradien-9-one 	C15H21ClO	252.128093	NA	MeJP	NA	NA
+MJ015962	6-Chloro-3,9,12-pentadecatrien-1-yn-7-ol 	C15H21ClO	252.128093	NA	MeJP	NA	NA
+MJ015963	7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol 	C15H21ClO	252.128093	NA	MeJP	NA	NA
+MJ015964	Perforenone; 3?-Chloro 	C15H21ClO	252.128093	NA	MeJP	NA	NA
+MJ015965	Ubiquinol 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015966	1,10-Epoxy-2-hydroxy-13-nor-7,11-nardosinanedione 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015967	1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 1-Et, 3',4',5'-tri-Me ether 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015968	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-(3-Methylbutanoyl) 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015969	12-Noralliacolide 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015970	2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015971	2-(Acetoxymethenyl)-1-(2-acetoxy-1-methylethenyl)-3-methylcyclopentane 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015972	2-Hydroxylemnoliadione 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015973	2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-butanone; 4'-Me ether 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015974	2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 2',4'-Di-Me ether 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015975	2-Pinene-4,6-diol, Di-Ac 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015976	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 1-Et, 3',4',5'-tri-Me ether 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015977	4,7-Dihydroxy-2,5,8-tetradecatrien-1,13-olide 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015978	4-(3-Methyl-2-butenyl)-1,2,3,5-benzenetetrol; 1,2,3-Tri-Me ether 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015979	6-(2-Acetyloxy-4-heptenyl)-5,6-dihydro-2H-pyran-2-one 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015980	6-Hydroxy-12,13-dinor-3-oxo-4-eudesmen-11-oic acid, Me ester 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015981	Butoxylspiciferin 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015982	Flavesone 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015983	Frequentin 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015984	Herbasolide 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015985	Illifunone 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015986	Oreadone; 3?-Hydroxy 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015987	Panellol 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015988	Tasmanone 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015989	Umuravumbolide 	C14H20O4	252.136159	NA	MeJP	NA	NA
+MJ015990	2,6-Dimethyl-1-nonanol; O-Sulfate 	C11H24O4S	252.139529	NA	MeJP	NA	NA
+2628	synthetic fr,of human beta-CN (49-52) ACE inhibitor	LIYP	252.1415	MH2+	Inhouse_peptide	NA	peptide
+MJ015991	Hydroxyprocaine 	C13H20N2O3	252.147392	NA	MeJP	NA	NA
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR394	Estrone F2	NA	252.152475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR394	Estrone F2	NA	252.152475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR394	Estrone F2	NA	252.152475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR394	Estrone F2	F2	252.152475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR394	Estrone F2	NA	252.152475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR394	Estrone F2	F2	252.152475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C10926	Hexazinone	C12H20N4O2	252.1586	NA	KEGG	NA	NA
+MJ015992	Aristomakine; Deisopropyl 	C17H20N2	252.162648	NA	MeJP	NA	NA
+MJ015993	Deplancheine 	C17H20N2	252.162648	NA	MeJP	NA	NA
+MJ015994	Uleine, De-N-Me 	C17H20N2	252.162648	NA	MeJP	NA	NA
+C09645	Cuauhtemone	C15H24O3	252.1725	NA	KEGG	NA	NA
+C16504	Juvenile hormone III acid	C15H24O3	252.1725	NA	KEGG	NA	NA
+C17502	Sugetriol	C15H24O3	252.1725	NA	KEGG	NA	NA
+C17605	Kikkanol C	C15H24O3	252.1725	NA	KEGG	NA	NA
+C17607	Kikkanol E	C15H24O3	252.1725	NA	KEGG	NA	NA
+C17612	Indicumenone	C15H24O3	252.1725	NA	KEGG	NA	NA
+MJ015995	1(10),4(15)-Germacradiene-2,5,6-triol, 2-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ015996	1(10),4(15)-Germacradiene-5,6,14-triol, 14-Aldehyde 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ015997	1(10),4(15)-Lepidozadien-5-ol, 5-Hydroperoxide, 1?,10?-epoxide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ015998	1(10),4,11-Germacratrien-9-ol, 1?,10?:4?,5?-Diepoxide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ015999	1(10)-Eremophilene-2,8,11-triol, 2-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016000	1,10-Epoxy-15-hydroperoxy-4-lepidozene 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016001	1,10-Epoxy-4(15),11-germacradiene-5,9-diol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016002	1,11-Dihydroxy-4-guaien-3-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016003	1,3,5-Bisabolatriene-1,7,15-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016004	1,3-Dihydroxy-4-eudesmen-6-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016005	1,4-Epidioxy-6-cadinen-5-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016006	1,4-Epoxy-10(14),11-germacradiene-3,5-diol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016007	1,4-Epoxy-4-hydroxy-6-xanthen-5-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016008	1,4:4,5-Diepoxy-10(14)-xanthen-6-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016009	1-Hydroxy-2,10-bisaboladien-12-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016010	1-Hydroxy-2,10-bisaboladien-15-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016011	1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 11,13-Dihydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016012	10(14)-Aromadendrene-2,3,4-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016013	10(14)-Aromadendrene-4,8,13-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016014	10,14-Dihydroxy-4,11-germacradien-1-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016015	11,12-Dihydroxy-1(10)-spirovetiven-2-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016016	11,12-Drimanediol; 12-Carboxylic acid, 11-aldehyde 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016017	11,12-Epoxy-7-drimene-3,11-diol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016018	11-Eremophilene-2,8,9-triol, 2-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016019	11-Eremophilene-3,8,9-triol, 8-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016020	11-Eremophilene-3,8,9-triol, 9-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016021	11-Hydroperoxy-3(15),4,9-bisabolatrien-2-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016022	11-Hydroxy-1(10)-spirovetiven-14-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016023	11-Hydroxy-8(12)-drimen-13-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016024	12,14-Dihydroxy-3(15)-caryophyllen-8-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016025	13-Hydroxy-10-sesquigeran-1,12-olidic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016026	15-Asteriscanoic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016027	15-Hydroxydihydro-?-agarofuran, 15-Carboxylic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016028	2,11-Dihydroxy-4-eudesmen-3-one; 2?-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016029	2,3-Dihydroxy-11-spirovetiven-14-al 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016030	2,4-Epidioxy-3(15)-allohimachalen-6-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016031	2,6,10-Farnesatriene-1,5,12-triol, 12-Aldehyde 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016032	2-Sterpurene-6,10-diol; 4?-Hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016033	2-Sterpurene-6,12,15-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016034	3(15),6-Caryophylladiene-4,8,9-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016035	3(15)-Longipinene-4,12,13-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016036	3(4?5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016037	3,11-Dihydroxy-1,6,9-farnesatrien-8-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016038	3,11-Dihydroxy-6-eudesmen-8-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016039	3,11-Dihydroxy-7-drimen-6-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016040	3,4-Dihydroxy-1,10-bisaboladien-9-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016041	3,4-Dihydroxy-7(11)-eudesmen-8-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016042	3,4-Epoxy-6,9-germacranedione 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016043	3,5-Dihydroxy-1,6,10-farnesatrien-9-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016044	3,8-Dihydroxy-1,6,10-farnesatrien-9-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016045	3-Hydroperoxy-4,10(14)-guaiadien-11-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016046	3-Hydroxy-1(10)-germacren-12,6-olide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016047	3-Hydroxy-12,8-eudesmanolide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016048	3-Hydroxy-12-cedranoic acid; 3?,11?-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016049	3-Hydroxy-14-cedranoic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016050	3-Hydroxy-4(15)-eudesmen-12-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016051	3-Hydroxylongibornane-3,5-endoperoxide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016052	3-Longipinene-12,13,15-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016053	4(15),10(14),11(13)-Germacratriene-1,5,12-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016054	4(15),10(14),11-Germacratriene-1,5,9-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016055	4(15),11(13)-Eudesmadiene-7,8,12-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016056	4,10(14)-Cadinadiene-3,8,9-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016057	4,10(14)-Cadinadiene-8,9,15-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016058	4,10(14)-Germacradiene-1,6,11-triol, 1-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016059	4,10(14)-Muuroladiene-1,3,9-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016060	4,10-Dihydroxy-7(11)-guaien-8-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016061	4,11(13)-Cadinadiene-12,15-diol, 15-Carboxylic acid, 11,13-dihydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016062	4,6-Dihydroxy-11(13)-eudesmen-12-oic acid, 12-Aldehyde 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016063	4,6-Dihydroxy-7-daucen-9-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016064	4,6-Dihydroxy-8-daucen-10-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016065	4,7-Dihydroxy-2,10-bisaboladien-1-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016066	4,9-Dihydroxy-7-daucen-6-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016067	4-Amorphene-11,15-diol; 15-Carboxylic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016068	4-Hydroperoxy-2,10(14)-guaiadien-11-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016069	4-Hydroxy-1(5),11(13)-xanthadien-12-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016070	4-Hydroxy-1,10-seco-5-muurolene-1,10-dione 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016071	4-Hydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016072	4-Hydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016073	4-Hydroxy-11(13)-eudesmen-12-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016074	4-Hydroxy-11(13)-pseudoguaien-12-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016075	4-Hydroxy-3,15-dinor-2,3-seco-2-africanone; Ac 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016076	4-Muurolene-7,15-diol, 15-Carboxylic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016077	5,11-Dihydroxy-3,7(14)-bisaboladien-2-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016078	5,11-Dihydroxy-7-drimen-6-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016079	5,14-Dihydroxy-8-marasmanone; 7àH-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016080	5,6-Dihydroxy-3(15)-caryophyllen-8-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016081	5,7,9-Hirsutanetriol, 5-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016082	5,8-Epoxy-4-hydroxy-3-amorphanone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016083	5,9-Dihydroxy-1(6)-brasilen-7-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016084	5,9-Epidioxy-7-daucen-6-ol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016085	5-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 5?-form, 4?,15-Dihydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016086	5-Protoilludene-7,8,14-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016087	6,11-Dihydroxy-3-eudesmen-2-one; 6?-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016088	6,11-Dihydroxy-4-eudesmen-3-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016089	6,11-Dihydroxy-4-guaien-3-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016090	6-Hydroxy-7-methyl-3-(4-methyl-3-pentenyl)-2,7-octadienoic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016091	6-Protoilludene-4,8,14-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016092	6-Protoilludene-5,8,14-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016093	7,10-Dihydroxy-2-bisabolen-4-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016094	7,10-Epidioxy-6-hydroxy-1(5)-guaien-2-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016095	7,11-Dihydroxy-1(10)-nardosinen-9-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016096	7,11-Dihydroxy-3,9-bisaboladien-2-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016097	7,11-Dihydroxy-3-eudesmen-2-one; 7?-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016098	7,11-Dihydroxy-4-eudesmen-3-one; 7?-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016099	7,12-Dihydroxy-4-amorphen-3-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016100	7-Drimene-6,9,11-triol, 6-Ketone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016101	7-Hydroxy-11,12-drimanolide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016102	7-Hydroxy-2,10-bisaboladien-15-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016103	7-Hydroxy-3,8-acoranedione 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016104	7-Hydroxy-7-methyl-3-(4-methyl-3-pentenyl)-2,5-octadienoic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016105	7-Hydroxy-8(12)-drimen-11-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016106	7-Isopropyl-4-methyl-10-oxo-5-undecen-4-olide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016107	7-Protoilludene-4,6,14-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016108	8,11-Dihydroxy-3-eudesmen-2-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016109	8,12-Epoxy-1(10),4-germacradiene-6,12-diol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016110	8,14-Dihydroxy-5-marasmanal 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016111	8,9-Dihydroxy-3-eudesmen-15-al 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016112	8-Hydroxy-12,11-drimanolide; 8?-form 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016113	8-Hydroxy-4(6)-lactarene-5,14-diol, 5-Aldehyde 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016114	9(12)-Capnellene-2,8,10-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016115	9(12)-Capnellene-3,8,10-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016116	9(12)-Capnellene-5,8,10-triol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016117	9,10-Dihydroxy-4-oplopanone, 11,12-Didehydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016118	9,11-Guaiadiene-3,4-diol, 8?-Hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016119	9,12-Dihydroxy-4-eudesmen-3-one 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016120	9-Oxo-2-bisabolen-15-oic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016121	Abscisic alcohol; 9,10-Dihydro 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016122	Antibiotic AM 6898E 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016123	Apotrichothecene; 3?-Hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016124	Apotrichothecene; 3?-Hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016125	Chiloscypholone; 11?,12-Epoxide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016126	Curcarabranol A 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016127	Fabianane 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016128	Hanalpinol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016129	Hebelophyllene E 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016130	Hydroxydavanone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016131	Illudosin 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016132	Isotrichodiol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016133	Lancifolide 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016134	Lanomycin; O-De(aminoacetyl) 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016135	Lemnacarnol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016136	Macnabin 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016137	Myoporone, (9R)-Alcohol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016138	Phytuberol 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016139	Prehelminthosporol; 14-Hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016140	Prehelminthosporol; 9-Hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016141	Punctaporonin A 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016142	Punctaporonin B 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016143	Punctaporonin E 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016144	Sambucoin; 2-Deoxy, 11-epimer, 3?-hydroxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016145	Smenospongic acid 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016146	Sulcatine G 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016147	Toxin FS2 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016148	Trichodiol A 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016149	Trichotriol; 3-Deoxy 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MJ016150	Urodiolenone 	C15H24O3	252.172544	NA	MeJP	NA	NA
+MetaCyc02280	3-hydroxylubimin []	C15H24O3	252.172545	NA	metacyc	NA	NA
+MJ016151	2,2'-(1,2-Ethanediyl)bis[1-methyl-3-piperidinone] 	C14H24N2O2	252.183778	NA	MeJP	NA	NA
+MJ016152	Dendrobates Alkaloid 252 	C14H24N2O2	252.183778	NA	MeJP	NA	NA
+MJ016153	20-Nor-5(10),6,8,11,13-abietapentaene 	C19H24	252.1878	NA	MeJP	NA	NA
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR392	Dehydroepiandrosterone F3	NA	252.188875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR392	Dehydroepiandrosterone F3	NA	252.188875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR392	Dehydroepiandrosterone F3	NA	252.188875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR392	Dehydroepiandrosterone F3	NA	252.188875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR392	Dehydroepiandrosterone F3	F3	252.188875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C16795	Hydnocarpic acid	C16H28O2	252.2089	NA	KEGG	NA	NA
+HMDB00477	7Z,10Z-Hexadecadienoic acid	C16H28O2	252.20892	http://www.hmdb.ca/metabolites/HMDB00477	HMDB	NA	NA
+HMDB00480	7,10-Hexadecadienoic acid	C16H28O2	252.20892	http://www.hmdb.ca/metabolites/HMDB00480	HMDB	NA	NA
+HMDB00477	7Z,10Z-Hexadecadienoic acid	C16H28O2	252.20892	HMDB00477	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00480	7,10-Hexadecadienoic acid	C16H28O2	252.20892	HMDB00480	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00477	7Z,10Z-Hexadecadienoic acid	C16H28O2	252.208923	NA	HMDB2010	NA	NA
+HMDB00480	7,10-Hexadecadienoic acid	C16H28O2	252.208923	NA	HMDB2010	NA	NA
+MJ016154	1,6,9-Farnesatriene-3,11-diol; 11-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016155	11,12-Epoxy-11-drimanol; 11?-form, 11-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016156	11-(2-Cyclopentenyl)undecanoic acid 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016157	13,14,15,16-Tetranor-3-clerodene-12,18-diol; ent-form 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016158	3,5-Tetradecadien-1-ol, Ac 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016159	3,7-Dimethyl-2,6-octadien-1-ol, Hexanoyl 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016160	3,7-Tetradecadien-1-ol, Ac 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016161	3,8-Tetradecadien-1-ol, Ac 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016162	3-Dodecen-1-ol, 2E-Butenoyl 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016163	4(15),7(11)-Oppositadien-1-ol, 7,11-Dihydro, 7?-methoxy 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016164	4(15)-Eudesmene-1,6-diol, 6-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016165	4,10-Aromadendranediol, 10-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016166	4,9-Hexadecadienoic acid 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016167	5,8-Tetradecadienoic acid, Et ester 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016168	5,9-Hexadecadienoic acid 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016169	6,9-Hexadecadienoic acid 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016170	6-Guaiene-4,10-diol, 10-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016171	6-Isopropenyl-3-methyl-9-decen-1-ol, Ac 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016172	7-Hexadecen-1,16-olide 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016173	7-Hexadecynoic acid 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016174	9,11-Dodecadien-1-ol, Butanoyl 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016175	9,12-Hexadecadienoic acid 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016176	9,12-Tetradecadien-1-ol, Ac 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016177	?-Monocyclonerolidol; 8-Hydroxy, 9-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016178	Chokol H; 10-Me ether 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016179	Cioteronel 	C16H28O2	252.20893	NA	MeJP	NA	NA
+MJ016180	10-Heptadecen-2-one 	C17H32O	252.245315	NA	MeJP	NA	NA
+MJ016181	14-Methyl-8-hexadecenal 	C17H32O	252.245315	NA	MeJP	NA	NA
+MJ016182	2-(9-Decenyl)-3-pentyloxirane 	C17H32O	252.245315	NA	MeJP	NA	NA
+MJ016183	3-Heptadecen-2-one 	C17H32O	252.245315	NA	MeJP	NA	NA
+MJ016184	4,6,8,10-Tetramethyl-4-tridecen-3-one 	C17H32O	252.245315	NA	MeJP	NA	NA
+MJ016185	8,11,14-Heptadecatrienal, 11,12,14,15-Tetrahydro 	C17H32O	252.245315	NA	MeJP	NA	NA
+MJ016186	1-Octadecene 	C18H36	252.281701	NA	MeJP	NA	NA
+MJ016187	3-Cyclohexyldodecane 	C18H36	252.281701	NA	MeJP	NA	NA
+3662	NA	ITGSE	252.613	MH2+	Inhouse_peptide	NA	peptide
+HMDB03379	Triphosphate	[P3O10]5-	252.870438	NA	HMDB2010	NA	NA
+HMDB03379	Triphosphate	O10P3	252.87044	http://www.hmdb.ca/metabolites/HMDB03379	HMDB	NA	NA
+HMDB03379	Triphosphate	O10P3	252.87044	HMDB03379	PFEM_hmdb_metabocards_official	NA	NA
+MJ016188	2,3,4,7-Tetrachloro-1H-indole 	C8H3Cl4N	252.901959	NA	MeJP	NA	NA
+MJ016189	Dichlorophenarsine 	C6H6AsCl2NO	252.90424	NA	MeJP	NA	NA
+MJ016190	4-Aminophenol; N-Trichloroacetyl 	C8H6Cl3NO2	252.946411	NA	MeJP	NA	NA
+MJ016191	Mercury amide chloride 	ClH2HgN	252.958202	NA	MeJP	NA	NA
+MJ016192	6-Bromo-3-(hydroxyacetyl)-1H-indole 	C10H8BrNO2	252.973841	NA	MeJP	NA	NA
+MJ016193	Brosuximide 	C10H8BrNO2	252.973841	NA	MeJP	NA	NA
+MJ016194	Fenclozic acid 	C11H8ClNO2S	252.996426	NA	MeJP	NA	NA
+MJ016195	3-(3-Bromophenyl)-2-propenoic acid, Ethylamide 	C11H12BrNO	253.010226	NA	MeJP	NA	NA
+MJ016196	2-Carboxy-6-chloro-1H-indole-3-acetic acid 	C11H8ClNO4	253.014185	NA	MeJP	NA	NA
+MJ016197	7-Chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid; Me ester 	C11H8ClNO4	253.014185	NA	MeJP	NA	NA
+MJ016198	Furathiazole 	C9H7N3O4S	253.015726	NA	MeJP	NA	NA
+MJ016199	Tizanidine 	C9H8ClN5S	253.018893	NA	MeJP	NA	NA
+C07452	Tizanidine	C9H8ClN5S	253.0189	NA	KEGG	NA	NA
+MJ016200	Guanisoquine 	C10H12BrN3	253.02146	NA	MeJP	NA	NA
+MJ016201	5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate 	C10H7NO7	253.022251	NA	MeJP	NA	NA
+MetaCyc02281	5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylate []	C10H7N1O7	253.022252	NA	metacyc	NA	NA
+C05641	5-(3'-Carboxy-3'-oxopropenyl)-4,6-dihydroxypicolinate	C10H7NO7	253.0223	NA	KEGG	NA	NA
+C04798	5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone	C10H8ClN3O3	253.0254	NA	KEGG	NA	NA
+C04799	Colominic acid(non-reducing N- or O-acylneuraminyl residue)	C10H8ClN3O3	253.0254	NA	KEGG	NA	NA
+C04800	D-Glucuronyl-N-acetyl-1,3-beta-D-galactosaminylproteoglycan	C41H63N3O34R2	253.0254	NA	KEGG	NA	NA
+C04801	[3-Methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]	C17H27N5O4SR2	253.0254	NA	KEGG	NA	NA
+C04802	m7G(5')pppRm-RNA (mRNA containing a 2'-O-methylpurine cap)	C22H36N5O23P4R2	253.0254	NA	KEGG	NA	NA
+C04803	Oligosaccharide(non-reducing N- or O-acylneuraminyl residue)	C22H36N5O23P4R2	253.0254	NA	KEGG	NA	NA
+MetaCyc02282	5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone []	C10H8N3O3CL1	253.025419	NA	metacyc	NA	NA
+MJ016202	8-Hydroxy-5-quinolinesulfonic acid; Et ether 	C11H11NO4S	253.040878	NA	MeJP	NA	NA
+C07315	Sulfamethoxazole	C10H11N3O3S	253.0521	NA	KEGG	NA	NA
+MJ016203	Sulfamethoxazole 	C10H11N3O3S	253.052111	NA	MeJP	NA	NA
+C11467	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate	C11H11NO6	253.0586	NA	KEGG	NA	NA
+MJ016204	Aspartic acid, N-(2-Hydroxybenzoyl) 	C11H11NO6	253.058637	NA	MeJP	NA	NA
+MJ016205	Blepharismone 	C11H11NO6	253.058637	NA	MeJP	NA	NA
+MJ016206	Dysidamide C 	C10H17Cl2NO2	253.063634	NA	MeJP	NA	NA
+MJ016207	Uracinin 	C10H11N3O5	253.06987	NA	MeJP	NA	NA
+MJ016208	2,3-Dihydroxy-4-phenylquinoline; 3'-Hydroxy 	C15H11NO3	253.073893	NA	MeJP	NA	NA
+MJ016209	4-Methylbenzo[g]quinoline-5,10-dione; 7-Methoxy 	C15H11NO3	253.073893	NA	MeJP	NA	NA
+MJ016210	Cridanimod 	C15H11NO3	253.073893	NA	MeJP	NA	NA
+MJ016211	Crinasiadine; N-Me 	C15H11NO3	253.073893	NA	MeJP	NA	NA
+MJ016212	Furegrelate 	C15H11NO3	253.073893	NA	MeJP	NA	NA
+C14264	2-(4-Hydroxybenzyl)isoindole-1,3-dione	C15H11NO3	253.0739	NA	KEGG	NA	NA
+C14620	2-Acetamido-6H-dibenzo[b,d]pyran-6-one	C15H11NO3	253.0739	NA	KEGG	NA	NA
+C14920	N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)acetamide	C15H11NO3	253.0739	NA	KEGG	NA	NA
+MJ016213	Mezolidon 	C12H15NO3S	253.077264	NA	MeJP	NA	NA
+MJ016214	Thiorphan 	C12H15NO3S	253.077264	NA	MeJP	NA	NA
+MJ016215	Vanitiolide 	C12H15NO3S	253.077264	NA	MeJP	NA	NA
+C01619	Thiorphan	C12H15NO3S	253.0773	NA	KEGG	NA	NA
+MJ016216	L-glycero-D-manno-Heptose; 7-O-Carbamoyl 	C8H15NO8	253.079766	NA	MeJP	NA	NA
+EUR064	Neopterin	C9H11N5O4	253.0811	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00845	Neopterin	C9H11N5O4	253.0811	http://www.hmdb.ca/metabolites/HMDB00845	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR064	Neopterin	C9H11N5O4	253.0811	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR064	Neopterin	C9H11N5O4	253.0811	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00727	L-Threoneopterin	C9H11N5O4	253.0811	http://www.hmdb.ca/metabolites/HMDB00727	HMDB	NA	NA
+HMDB00845	Neopterin	C9H11N5O4	253.0811	http://www.hmdb.ca/metabolites/HMDB00845	HMDB	NA	NA
+HMDB00877	Umanopterin	C9H11N5O4	253.0811	http://www.hmdb.ca/metabolites/HMDB00877	HMDB	NA	NA
+HMDB02109	Hydroxysepiapterin	C9H11N5O4	253.0811	http://www.hmdb.ca/metabolites/HMDB02109	HMDB	NA	NA
+EUR064	Neopterin	C9H11N5O4	253.0811	Wishlist	Inhousejuil11	NA	NA
+C05926	Neopterin	C9H11N5O4	253.0811	NA	KEGG	NA	NA
+HMDB00845	Neopterin	C9H11N5O4	253.0811	http://www.hmdb.ca/metabolites/HMDB00845	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00727	L-Threoneopterin	C9H11N5O4	253.0811	HMDB00727	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00845	Neopterin	C9H11N5O4	253.0811	HMDB00845	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00877	Umanopterin	C9H11N5O4	253.0811	HMDB00877	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02109	Hydroxysepiapterin	C9H11N5O4	253.0811	HMDB02109	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00727	L-Threoneopterin	C9H11N5O4	253.0811	NA	HMDB2010	NA	NA
+HMDB00845	Neopterin	C9H11N5O4	253.0811	NA	HMDB2010	NA	NA
+HMDB00877	Umanopterin	C9H11N5O4	253.0811	NA	HMDB2010	NA	NA
+HMDB02109	Hydroxysepiapterin	C9H11N5O4	253.0811	NA	HMDB2010	NA	NA
+MJ016217	2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016218	2-Amino-7-(1,2-dihydroxypropyl)-1,5-dihydro-4,6-pteridinedione, 9C1 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016219	9-[2-(Hydroxymethyl)-1,3-dioxolan-4-yl]guanine 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016220	Anapterin 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016221	Eritadenine 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016222	Ichthyopterin 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016223	Navuridine 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+MJ016224	Neopterin 	C9H11N5O4	253.081103	NA	MeJP	NA	NA
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	HMDB	NA	NA
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	Inhouse_PFEM	NA	NA
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR064	Neopterin	C9H11N5O4	253.081105	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR280	Néoptérine F1	NA	253.083775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR280	Neopterine F1	NA	253.083775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ016225	Aeruginosin A 	C14H11N3O2	253.085126	NA	MeJP	NA	NA
+HMDB11716	N-Acetylvanilalanine	C12H15NO5	253.095016	NA	HMDB2010	NA	NA
+MJ016226	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1-isoquinolinecarboxylic acid 	C12H15NO5	253.095022	NA	MeJP	NA	NA
+MJ016227	2-(Hydroxyacetyl)-1H-pyrrole; N-(2-Acetoxyethyl), O-Ac 	C12H15NO5	253.095022	NA	MeJP	NA	NA
+MJ016228	N-(2,4-Dihydroxy-3,5,6-trimethylbenzoyl)glycine 	C12H15NO5	253.095022	NA	MeJP	NA	NA
+MJ016229	Lodenosine 	C10H12FN5O2	253.097502	NA	MeJP	NA	NA
+MJ016230	Carbantel 	C12H16ClN3O	253.098189	NA	MeJP	NA	NA
+MJ016231	Lincosamine; ?-Pyranose-form, 1-Thio, Me glycoside 	C9H19NO5S	253.098393	NA	MeJP	NA	NA
+MJ016232	Glutamic acid, 5-(4-Hydroxyphenylhydrazide) 	C11H15N3O4	253.106255	NA	MeJP	NA	NA
+MJ016233	Pyricarbate 	C11H15N3O4	253.106255	NA	MeJP	NA	NA
+C12842	Pyricarbate	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+C12843	Transferred to D01397	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+C12844	Transferred to D01398	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+C12845	Transferred to D01399	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+C12846	Transferred to D01400	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+C12847	Transferred to D01401	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+C12848	Transferred to D01402	C11H15N3O4	253.1063	NA	KEGG	NA	NA
+HMDB01940	Triamterene	C12H11N7	253.10759	http://www.hmdb.ca/metabolites/HMDB01940	HMDB	NA	NA
+HMDB01940	Triamterene	C12H11N7	253.10759	HMDB01940	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01940	Triamterene	C12H11N7	253.10759	NA	HMDB2010	NA	NA
+MJ016234	2,4,7-Triamino-5-phenylpyrimido[4,5-d]pyrimidine 	C12H11N7	253.107593	NA	MeJP	NA	NA
+MJ016235	2,4,7-Triamino-6-phenylpteridine 	C12H11N7	253.107593	NA	MeJP	NA	NA
+C07631	Proguanil	C11H16ClN5	253.1094	NA	KEGG	NA	NA
+MJ016236	Proguanil 	C11H16ClN5	253.109423	NA	MeJP	NA	NA
+MJ016237	3-Methyl-9H-carbazole; N-(Ethoxycarbonyl) 	C16H15NO2	253.110278	NA	MeJP	NA	NA
+MJ016238	Alatamide 	C16H15NO2	253.110278	NA	MeJP	NA	NA
+MJ016239	Annopholine 	C16H15NO2	253.110278	NA	MeJP	NA	NA
+MJ016240	Apomorphine, N-De-Me 	C16H15NO2	253.110278	NA	MeJP	NA	NA
+MJ016241	Dinapsoline 	C16H15NO2	253.110278	NA	MeJP	NA	NA
+MJ016242	Tesimide 	C16H15NO2	253.110278	NA	MeJP	NA	NA
+MJ016243	Clathryimine A 	C16H16NO2(+)	253.110278	NA	MeJP	NA	NA
+C11084	Fenothiocarb	C13H19NO2S	253.1137	NA	KEGG	NA	NA
+CJpos0638	Phe Ser Ser Phe [(M+H)]+ (13C)	C1113CH17N2O4	253.113775	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0638	Phe Ser § Ser Phe [(M+H)]+ (13C)	C1113CH17N2O4	253.113775	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ016244	1-O-(4-Amino-4-deoxy-?-D-mannopyranosyl)glycerol 	C9H19NO7	253.116151	NA	MeJP	NA	NA
+MJ016245	2-Amino-2-deoxyglucose; ?-D-Pyranose-form, 2,3-Dihydroxypropyl glycoside 	C9H19NO7	253.116151	NA	MeJP	NA	NA
+MJ016246	Omaciclovir 	C10H15N5O3	253.117489	NA	MeJP	NA	NA
+MJ016247	Penciclovir 	C10H15N5O3	253.117489	NA	MeJP	NA	NA
+C07417	Penciclovir	C10H15N5O3	253.1175	NA	KEGG	NA	NA
+MJ016248	Antibiotic FR 900137 	C8H20N3O4P	253.119142	NA	MeJP	NA	NA
+C10568	Anantine	C15H15N3O	253.1215	NA	KEGG	NA	NA
+MJ016249	3,9-Diamino-7-ethoxyacridine 	C15H15N3O	253.121512	NA	MeJP	NA	NA
+MJ016250	Anantine 	C15H15N3O	253.121512	NA	MeJP	NA	NA
+MJ016251	Isoanantine 	C15H15N3O	253.121512	NA	MeJP	NA	NA
+MJ016252	Nanterinone 	C15H15N3O	253.121512	NA	MeJP	NA	NA
+MJ016253	Premazepam 	C15H15N3O	253.121512	NA	MeJP	NA	NA
+MJ016254	1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxyisoquinoline 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016255	1,2,3,4-Tetrahydro-5,6,7-trimethoxy-2-methylisoquinoline; N-Oxide 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016256	1,2,3,4-Tetrahydro-5-hydroxy-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinoline 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016257	1,2,3,4-Tetrahydro-ar-hydroxy-ar-trimethoxy-2-methylisoquinoline 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016258	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methyl-2-butenoyl), N-oxide 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016259	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-Angeloyl, N-oxide 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016260	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-Angeloyl, N-oxide 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016261	Antibiotic MY 336a 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016262	Mescaline; N-Ac 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016263	Senecicaudatinal hemiacetal 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016264	Tuberostemospironine 	C13H19NO4	253.131408	NA	MeJP	NA	NA
+MJ016265	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N,N,N-Tri-Me, Me ester 	C13H20NO4(+)	253.131408	NA	MeJP	NA	NA
+C10927	Irgarol 1051	C11H19N5S	253.1361	NA	KEGG	NA	NA
+MJ016266	2,3,4,5-Tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol 	C17H19NO	253.146664	NA	MeJP	NA	NA
+MJ016267	N-2-Phenylethylcinnamamide; 2,3-Dihydro 	C17H19NO	253.146664	NA	MeJP	NA	NA
+MJ016268	Cyclo(arginylprolyl) 	C11H19N5O2	253.153874	NA	MeJP	NA	NA
+MJ016269	Anabasamine 	C16H19N3	253.157897	NA	MeJP	NA	NA
+MJ016270	Aptazapine 	C16H19N3	253.157897	NA	MeJP	NA	NA
+C11207	Fenapanil	C16H19N3	253.1579	NA	KEGG	NA	NA
+MJ016271	5-Oxo-2-pyrrolidinecarboxylic acid, 3,3,5-Trimethylcyclohexyl ester 	C14H23NO3	253.167793	NA	MeJP	NA	NA
+MJ016272	?-[(Dimethylamino)methyl]-3-methoxy-2-(1-methylethoxy)benzenemethanol 	C14H23NO3	253.167793	NA	MeJP	NA	NA
+MJ016273	Arnolol 	C14H23NO3	253.167793	NA	MeJP	NA	NA
+MJ016274	3,5-Bis(3-methyl-2-butenyl)-1H-indole 	C18H23N	253.183049	NA	MeJP	NA	NA
+MJ016275	3,6-Bis(3-methyl-2-butenyl)-1H-indole 	C18H23N	253.183049	NA	MeJP	NA	NA
+MJ016276	3,7-Diprenylindole 	C18H23N	253.183049	NA	MeJP	NA	NA
+MJ016277	Herbindole C 	C18H23N	253.183049	NA	MeJP	NA	NA
+MJ016278	Tolpropamine 	C18H23N	253.183049	NA	MeJP	NA	NA
+MJ016279	Meladrazine 	C11H23N7	253.201493	NA	MeJP	NA	NA
+MJ016280	Dendrobates Alkaloid 237A; 7-Hydroxy 	C15H27NO2	253.204179	NA	MeJP	NA	NA
+MJ016281	Dendrobates Alkaloid 253D 	C15H27NO2	253.204179	NA	MeJP	NA	NA
+MJ016282	Lupinine, 2-Methylbutanoyl 	C15H27NO2	253.204179	NA	MeJP	NA	NA
+MJ016283	Mantella Alkaloid 253B 	C16H31NO	253.240564	NA	MeJP	NA	NA
+MJ016284	2,5-Dialkylpyrrolidines; 2-Ethyl-5-undecylpyrrolidine 	C17H35N	253.27695	NA	MeJP	NA	NA
+MJ016285	2-Methyl-6-undecylpiperidine 	C17H35N	253.27695	NA	MeJP	NA	NA
+C16782	(-)-Solenopsin A	C17H35N	253.277	NA	KEGG	NA	NA
+7945	Antioxidative peptide	YYY	253.5945	MH2+	Inhouse_peptide	NA	peptide
+3343	ACE inhibitor	ALPHA	253.634	MH2+	Inhouse_peptide	NA	peptide
+MJ016286	Bromochloroiodomethane 	CHBrClI	253.799483	NA	MeJP	NA	NA
+C01382	Iodine	I2	253.8089	NA	KEGG	NA	NA
+HMDB00675	Iodine	I2	253.808929	NA	HMDB2010	NA	NA
+MetaCyc02283	I2 [iodine;]	I2	253.808936	NA	metacyc	NA	NA
+HMDB00675	Iodine	I2	253.80894	http://www.hmdb.ca/metabolites/HMDB00675	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00675	Iodine	I2	253.80894	http://www.hmdb.ca/metabolites/HMDB00675	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00675	Iodine	I2	253.80894	http://www.hmdb.ca/metabolites/HMDB00675	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00675	Iodine	I2	253.80894	http://www.hmdb.ca/metabolites/HMDB00675	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00675	Iodine	I2	253.80894	http://www.hmdb.ca/metabolites/HMDB00675	HMDB	NA	NA
+HMDB00675	Iodine	I2	253.80894	http://www.hmdb.ca/metabolites/HMDB00675	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00675	Iodine	I2	253.80894	HMDB00675	PFEM_hmdb_metabocards_official	NA	NA
+MJ016287	2,3-Dihydro-5-iodo-2-thioxo-4(1H)-pyrimidinone 	C4H3IN2OS	253.901076	NA	MeJP	NA	NA
+C07100	2,4,5-Trichlorophenoxyacetic acid	C8H5Cl3O3	253.9304	NA	KEGG	NA	NA
+MJ016288	2,4,5-Trichlorophenoxyacetic acid 	C8H5Cl3O3	253.930427	NA	MeJP	NA	NA
+MJ016289	Hexahydroxy-1,4-naphthoquinone 	C10H6O8	254.006267	NA	MeJP	NA	NA
+MJ016290	Nifurthiazole 	C8H6N4O4S	254.010975	NA	MeJP	NA	NA
+CJneg0470	Gluconic acid (and isomers) [(M-H)+(NaCl)]-	C6H11ClNaO7	254.017525	C18rt(min)=0.88 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0470	Gluconic acid (and isomers) [(M-H)+(NaCl)]-	C6H11ClNaO7	254.017525	C18rt(min)=0.88 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ016291	Shikimate 3-phosphate 	C7H11O8P	254.019153	NA	MeJP	NA	NA
+MetaCyc02284	shikimate-3-phosphate [shikimate-5-phosphate;shikimate-5-P;3-phosphoshikimate;5-phosphoshikimate;shikimate-3-P;]	C7H11O8P1	254.019154	NA	metacyc	NA	NA
+C03175	Shikimate 3-phosphate	C7H11O8P	254.0192	NA	KEGG	NA	NA
+MJ016292	Losigamone 	C12H11ClO4	254.034586	NA	MeJP	NA	NA
+MJ016293	Djenkolic acid 	C7H14N2O4S2	254.039498	NA	MeJP	NA	NA
+MJ016294	Homocysteine-cysteine disulfide 	C7H14N2O4S2	254.039498	NA	MeJP	NA	NA
+MetaCyc02285	djenkolate [djenkolic acid;L-cysteine thioacetal of formaldehyde;L-djenkolate;L-djenkolic acid;&beta;,&beta;'-methylenedithiodialanine;3,3'-methylenedithiobis(2-aminopropanoic acid);alanine, 3,3'-(methylenedithio)di-;]	C7H14N2O4S2	254.039498	NA	metacyc	NA	NA
+C08275	L-Djenkolic acid	C7H14N2O4S2	254.0395	NA	KEGG	NA	NA
+MJ016295	Islandic acid II; 1''-Aldehyde 	C11H10O7	254.042652	NA	MeJP	NA	NA
+MJ016296	Tartaric acid, Monobenzoyl 	C11H10O7	254.042652	NA	MeJP	NA	NA
+MJ016297	1,3-Benzenedicarbothioic acid; S,S-Di-Et ester 	C12H14O2S2	254.043521	NA	MeJP	NA	NA
+HMDB04195	5-L-Glutamyl-taurine	C7H14N2O6S	254.057251	NA	HMDB2010	NA	NA
+MJ016298	N-(2-Sulfoethyl)glutamine 	C7H14N2O6S	254.057256	NA	MeJP	NA	NA
+MJ016299	5-Glutamyl-taurine 	C7H14N2O6S	254.057256	NA	MeJP	NA	NA
+C05844	5-L-Glutamyl-taurine	C7H14N2O6S	254.0573	NA	KEGG	NA	NA
+JH173	Daidzein [M+H]+	C15H10O4	254.0574	16.45	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH173	Daidzein [M+H]+	C15H10O4	254.0574	16.45	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH173	Daidzein [M+H]+	C15H10O4	254.0574	16.45	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH173	Daidzein [M+H]+	C15H10O4	254.0574	16.45	Inhousejuil11	NA	NA
+C08644	Hispidol	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10028	Chrysin	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10121	Primetin	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10200	Anhydroglycinol	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10208	Daidzein	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10291	Alizarin 2-methyl ether	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10315	Chrysophanol	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10327	Digiferrugineol	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10329	1,4-Dihydroxy-2-methylanthraquinone	C15H10O4	254.0579	NA	KEGG	NA	NA
+C10402	Rubiadin	C15H10O4	254.0579	NA	KEGG	NA	NA
+C12123	7,4'-Dihydroxyflavone	C15H10O4	254.0579	NA	KEGG	NA	NA
+C14344	4',6-Dihydroxyflavone	C15H10O4	254.0579	NA	KEGG	NA	NA
+FL1A1ANS0001	Hispidol	C15H10O4	254.0579	5786-54-9	knapsack	NA	NA
+FL3F1ANS0001	7,4'-Dihydroxyflavone	C15H10O4	254.0579	2196-14-7	knapsack	NA	NA
+FL3F98NS0002	5,2'-Dihydroxyflavone	C15H10O4	254.0579	6674-39-1	knapsack	NA	NA
+FL3F98NS0004	8,2'-Dihydroxyflavone	C15H10O4	254.0579	115713-41-2	knapsack	NA	NA
+FL3F98NS0005	2',5'-Dihydroxyflavone	C15H10O4	254.0579	92439-19-5	knapsack	NA	NA
+FL3F99NS0002	Primetin	C15H10O4	254.0579	548-58-3	knapsack	NA	NA
+FL3FA9NS0002	Chrysin;5,7-Dihydroxyflavone;5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one	C15H10O4	254.0579	480-40-0	knapsack	NA	NA
+FL5F19NS0001	3,7-Dihydroxyflavone	C15H10O4	254.0579	492-00-2	knapsack	NA	NA
+FLIA1ANS0002	Daidzein	C15H10O4	254.0579	486-66-8	knapsack	NA	NA
+FLIA9ANS0002	8,4'-Dihydroxyisoflavone	C15H10O4	254.0579	118024-87-6	knapsack	NA	NA
+FLIAA9NS0003	5,7-Dihydroxyisoflavone	C15H10O4	254.0579	4044-00-2	knapsack	NA	NA
+FLIDWXNS0001	Anhydroglycinol;3,9-Dihydroxypterocarpene	C15H10O4	254.0579	67685-22-7	knapsack	NA	NA
+FLNA29NS0004	Nordalbergin;6,7-Dihydroxy-4-phenylcoumarin	C15H10O4	254.0579	482-82-6	knapsack	NA	NA
+FLNAA9NS0001	Serratin;5,7-Dihydroxy-4-phenylcoumarin	C15H10O4	254.0579	7758-73-8	knapsack	NA	NA
+HMDB03312	Daidzein	C15H10O4	254.057907	NA	HMDB2010	NA	NA
+MJ016300	1,2-Dihydroxy-3-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016301	1,2-Dihydroxy-6-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016302	1,2-Dihydroxyanthraquinone; 1-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016303	1,2-Dihydroxyanthraquinone; 2-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016304	1,3-Dihydroxy-2-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016305	1,3-Dihydroxy-6-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016306	1,3-Dihydroxyanthraquinone; 1-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016307	1,3-Dihydroxyanthraquinone; 3-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016308	1,4-Dihydroxy-2-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016309	1,4-Dihydroxy-5-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016310	1,4-Dihydroxy-6-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016311	1,5-Dihydroxy-2-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016312	1,5-Dihydroxy-3-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016313	1,6-Dihydroxy-2-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016314	1,6-Dihydroxy-3-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016315	1,7-Dihydroxy-3-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016316	1,8-Dihydroxy-2-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016317	1,8-Dihydroxy-3-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016318	1,8-Dihydroxy-4-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016319	1-Hydroxy-2-hydroxymethylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016320	1-Hydroxy-3-hydroxymethylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016321	1-Hydroxy-6(7)-hydroxymethylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016322	10-Hydroxy-2-hydroxymethyl-1,4-anthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016323	2',5'-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016324	2',5-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016325	2',8-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016326	2,3-Dihydroxyanthraquinone; Mono-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016327	2,7-Dihydroxy-1,4-phenanthraquinone; 2-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016328	2,7-Dihydroxy-1,4-phenanthraquinone; 7-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016329	2-Hydroxy-3-hydroxymethylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016330	3',4'-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016331	3,5-Dihydroxy-1,4-phenanthraquinone; 3-Me ether 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016332	3,7-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016333	3,8-Dihydroxy-1-methylanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016334	3,9-Dihydroxypterocarpene 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016335	3-(3,4-Dihydroxyphenyl)-1H-2-benzopyran-1-one 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016336	4',6-Dihydroxyaurone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016337	4',7-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016338	4',7-Dihydroxyisoflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016339	4',8-Dihydroxyisoflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016340	5,7-Dihydroxy-1-methylphenanthraquinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016341	5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016342	5,7-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016343	5,7-Dihydroxyisoflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016344	5,8-Dihydroxyflavone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016345	6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016346	6-Hydroxy-3-(4-hydroxybenzylidene)-2(3H)-benzofuranone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016347	8,9-Dihydro-4H-naphtho[1,2-c:4,5-cd]dipyran-4,11(6H)-dione 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016348	8-Hydroxy-2-isopropenylnaphtho[2,3-b]furan-4,9-quinone 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016349	Flavidin; 5-Oxo 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016350	Marginalin 	C15H10O4	254.057908	NA	MeJP	NA	NA
+MJ016351	4',5,7-Trihydroxyflavylium(1+) 	C15H11O4(+)	254.057908	NA	MeJP	NA	NA
+MJ016352	4',6,7-Trihydroxyflavylium(1+) 	C15H11O4(+)	254.057908	NA	MeJP	NA	NA
+MetaCyc02286	daidzein [7,4'-dihydroxyisoflavone;]	C15H10O4	254.057909	NA	metacyc	NA	NA
+HMDB03312	Daidzein	C15H10O4	254.05791	http://www.hmdb.ca/metabolites/HMDB03312	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03312	Daidzein	C15H10O4	254.05791	http://www.hmdb.ca/metabolites/HMDB03312	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03312	Daidzein	C15H10O4	254.05791	http://www.hmdb.ca/metabolites/HMDB03312	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03312	Daidzein	C15H10O4	254.05791	http://www.hmdb.ca/metabolites/HMDB03312	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03312	Daidzein	C15H10O4	254.05791	http://www.hmdb.ca/metabolites/HMDB03312	HMDB	NA	NA
+HMDB03312	Daidzein	C15H10O4	254.05791	http://www.hmdb.ca/metabolites/HMDB03312	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03312	Daidzein	C15H10O4	254.05791	HMDB03312	PFEM_hmdb_metabocards_official	NA	NA
+MJ016353	1-Acetyl-?-carboline-3-carboxylic acid 	C14H10N2O3	254.069142	NA	MeJP	NA	NA
+MJ016354	2-Amino-3H-phenoxazin-3-one; N-Ac 	C14H10N2O3	254.069142	NA	MeJP	NA	NA
+MJ016355	3-Chloro-4,6-dihydroxy-2-methyl-5-prenylbenzaldehyde 	C13H15ClO3	254.070972	NA	MeJP	NA	NA
+C17237	S-(Phenylacetothiohydroximoyl)-L-cysteine	C11H14N2O3S	254.0725	NA	KEGG	NA	NA
+MJ016356	Sulfadicramide 	C11H14N2O3S	254.072513	NA	MeJP	NA	NA
+C05945	L-Arginine phosphate	C6H15N4O5P	254.078	NA	KEGG	NA	NA
+MJ016357	Phosphoarginine 	C6H15N4O5P	254.078006	NA	MeJP	NA	NA
+MetaCyc02287	N-Phospho-L-arginine [L-arginine phosphate;phospho-L-arginine;L-arginine-phosphate;L-arginine-P;arg-P;phosphoarginine;arginine-phosphate;arginine-P;]	C6H15N4O5P1	254.078006	1189-11-3	metacyc	NA	NA
+MJ016358	1-O-Coumaroylglycerol, 3'-Hydroxy 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016359	3,4-Dihydro-4,8-dihydroxy-6,7-dimethoxy-3-methyl-1H-2-benzopyran-1-one 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016360	4,5-Dihydroxy-1,2-benzenedicarboxylic acid; Di-Me ether, di-Me ester 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016361	Cyclopolic acid; Me ether 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016362	Radicinol; 3,4-Diepimer, 1'?,2'?-epoxide 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016363	Riburonic acid; ?-D-Furanose-form, Benzyl glycoside 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016364	Sporovexin B 	C12H14O6	254.079038	NA	MeJP	NA	NA
+MJ016365	2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-Ac 	C11H14N2O5	254.090271	NA	MeJP	NA	NA
+MJ016366	Agaridoxin 	C11H14N2O5	254.090271	NA	MeJP	NA	NA
+C16582	2-Hydroxyfelbamate	C11H14N2O5	254.0903	NA	KEGG	NA	NA
+C16584	p-Hydroxyfelbamate	C11H14N2O5	254.0903	NA	KEGG	NA	NA
+MJ016367	1,4-Bis(2-isothiocyanatoethyl)cyclohexane 	C12H18N2S2	254.091139	NA	MeJP	NA	NA
+FL1C19NS0002	4'-Hydroxy-2'-methoxychalcone	C16H14O3	254.09429	69470-84-4	knapsack	NA	NA
+FL2F19NS0002	7-Methoxyflavanone	C16H14O3	254.09429	72984-48-6	knapsack	NA	NA
+FLII9CNM0001	Parvifuran;5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran	C16H14O3	254.09429	69470-93-5	knapsack	NA	NA
+FLND29NS0001	(R)-4-Methoxydalbergione	C16H14O3	254.09429	4646-86-0	knapsack	NA	NA
+FLND29NS0002	(S)-4-Methoxydalbergione	C16H14O3	254.09429	2543-95-5	knapsack	NA	NA
+FLNE29NS0001	Dalbergichromene;6-Hydroxy-7-methoxyneoflavene	C16H14O3	254.09429	32066-31-2	knapsack	NA	NA
+MJ016368	1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene; 3,4-Methylenedioxy, 4'-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016369	2',4'-Dihydroxychalcone; 2'-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016370	2,3,5-Phenanthrenetriol; 2,5-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016371	2,3,5-Phenanthrenetriol; 3,5-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016372	2,3,6-Phenanthrenetriol; 3,6-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016373	2,3,7-Phenanthrenetriol; 2,3-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016374	2,3,7-Phenanthrenetriol; 3,7-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016375	2,4,6-Phenanthrenetriol; 2,6-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016376	2-(4-Hydroxyphenyl)-3-methyl-5-benzofuranmethanol 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016377	2-Acetyl-3-hydroxy-6,9-dimethyldibenzofuran 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016378	3,4,6-Phenanthrenetriol; 3,6-Di-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016379	3-(2-Hydroxyphenyl)-2-phenylpropenoic acid, Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016380	3-(4-Hydroxyphenyl)-2-propenoic acid, Benzyl ester 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016381	4-(4-Biphenylyl)-4-oxobutanoic acid 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016382	4-Hydroxybenzaldehyde; O-(3-Phenylpropanoyl) 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016383	4-Methoxydalbergione 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016384	5-(4-Hydroxyphenyl)-2,4-pentadienoic acid 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016385	5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016386	5-Hydroxy-6-methoxy-3-methyl-2-phenylbenzofuran 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016387	6-Hydroxy-2-(4-hydroxybenzyl)benzofuran; 6-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016388	6-Methyldehydro-?-lapachone 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016389	7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, 3-Me ether, 1-Ac 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016390	7-Hydroxyflavanone, Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016391	7-Methoxy-4-phenyl-2H-1-benzopyran-6-ol 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016392	Chalepensin 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016393	Clausindine 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016394	Decurrenal 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016395	Flavidin; 2-Me ether 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016396	Isomaturinin 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016397	Ketoprofen 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016398	Magnaldehyde D 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016399	Maturin; 13-Deoxy 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016400	Obtusaquinone 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016401	Onognaphalin 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016402	Rhizonone 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016403	Swietenocoumarin A 	C16H14O3	254.094294	NA	MeJP	NA	NA
+MJ016404	izonone 	C16H14O3	254.094294	NA	MeJP	NA	NA
+C01716	Ketoprofen	C16H14O3	254.0943	NA	KEGG	NA	NA
+C09165	Chalepensin	C16H14O3	254.0943	NA	KEGG	NA	NA
+C10505	(R)-4-Methoxydalbergione	C16H14O3	254.0943	NA	KEGG	NA	NA
+MJ016405	1-O-?-D-Galactofuranosyl-D-glycerol 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MJ016406	1-O-Galactopyranosylglycerol 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MJ016407	1-O-Glucopyranosylglycerol 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MJ016408	2-O-?-D-Galactopyranosylglycerol 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MJ016409	Calditol 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MJ016410	Lilioside B 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MJ016411	Galactosylglycerol 	C9H18O8	254.100167	NA	MeJP	NA	NA
+MetaCyc02288	3-&beta;-D-galactosyl-sn-glycerol [2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5- triol;]	C9H18O8	254.100168	NA	metacyc	NA	NA
+MetaCyc02289	2-(&beta;-D-glucosyl)-sn-glycerol []	C9H18O8	254.100168	NA	metacyc	NA	NA
+HMDB06790	Galactosylglycerol	C9H18O8	254.10017	http://www.hmdb.ca/metabolites/HMDB06790	HMDB	NA	NA
+HMDB06864	3-beta-D-Galactosyl-sn-glycerol	C9H18O8	254.10017	http://www.hmdb.ca/metabolites/HMDB06864	HMDB	NA	NA
+HMDB06790	Galactosylglycerol	C9H18O8	254.10017	HMDB06790	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06864	3-beta-D-Galactosyl-sn-glycerol	C9H18O8	254.10017	HMDB06864	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06790	Galactosylglycerol	C9H18O8	254.100174	NA	HMDB2010	NA	NA
+C05401	3-beta-D-Galactosyl-sn-glycerol	C9H18O8	254.1002	NA	KEGG	NA	NA
+C11546	2-(beta-D-Glucosyl)-sn-glycerol	C9H18O8	254.1002	NA	KEGG	NA	NA
+C11547	3-(Acyloxy)acyl group of bacterial toxin	C54H89N2O25P2R7	254.1002	NA	KEGG	NA	NA
+C11548	3-Hydroxyacyl group of bacterial toxin	C52H91N2O23P2R5	254.1002	NA	KEGG	NA	NA
+C11549	Poly[(R)-3-hydroxyoctanoate]n	C52H91N2O23P2R5	254.1002	NA	KEGG	NA	NA
+C11550	Poly[(R)-3-hydroxyoctanoate]x	C52H91N2O23P2R5	254.1002	NA	KEGG	NA	NA
+C11551	Poly[(R)-3-hydroxybutanoate]n-x	C52H91N2O23P2R5	254.1002	NA	KEGG	NA	NA
+C11552	Poly[(R)-3-hydroxybutanoate]x	C52H91N2O23P2R5	254.1002	NA	KEGG	NA	NA
+C11553	[Heparan sulfate]-glucosamine 3-sulfate	C6H12NO8S	254.1002	NA	KEGG	NA	NA
+C11554	1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate	C11H19O19P3R2	254.1002	NA	KEGG	NA	NA
+C07819	Dyphylline	C10H14N4O4	254.1015	NA	KEGG	NA	NA
+C07821	Transferred to D00693	C10H14N4O4	254.1015	NA	KEGG	NA	NA
+C07822	Transferred to D00694	C10H14N4O4	254.1015	NA	KEGG	NA	NA
+C07823	Transferred to D00695	C10H14N4O4	254.1015	NA	KEGG	NA	NA
+C07824	Transferred to D00696	C10H14N4O4	254.1015	NA	KEGG	NA	NA
+MJ016412	Diprophylline 	C10H14N4O4	254.101504	NA	MeJP	NA	NA
+C07493	10-Hydroxycarbazepine	C15H14N2O2	254.1055	NA	KEGG	NA	NA
+MJ016413	1-Methyl-?-carboline-3-carboxylic acid; Et ester 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016414	4,7-Dimethoxy-1-vinyl-?-carboline 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016415	4,8-Dihydroxy-1-vinyl-?-carboline; Di-Me ether 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016416	4,9-Dimethoxy-1-vinyl-?-carboline 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016417	5,6-Dihydro-3-[2-(1H-indol-3-yl)-2-oxoethyl]-2(1H)-pyridinone 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016418	?-Carboline-1-propanoic acid; Me ester 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016419	Homofluorodaturatin 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016420	Licarbazepine 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016421	Nepafenac 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016422	Oxopropaline D, 2'-Deoxy 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016423	Rugulovasine A, 5-Epimer, N-de-Me 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016424	Rugulovasine A, N-De-Me 	C15H14N2O2	254.105527	NA	MeJP	NA	NA
+MJ016425	Thiamylal 	C12H18N2O2S	254.108898	NA	MeJP	NA	NA
+C07846	Thiamylal	C12H18N2O2S	254.1089	NA	KEGG	NA	NA
+C07847	Transferred to D00713	C12H18N2O2S	254.1089	NA	KEGG	NA	NA
+C07848	Transferred to D00714	C12H18N2O2S	254.1089	NA	KEGG	NA	NA
+MJ016426	3,4-Dihydro-3,4,6,7-tetrahydroxy-2,2-dimethyl-2H-1-benzopyran, 6,7-Di-Me ether 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016427	3-(2,3,4,5-Tetrahydroxyphenyl)-2-propen-1-ol, Tetra-Me ether 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016428	3-Carboxy-5-pentyl-2-furanpropanoic acid 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016429	4-Hydroxy-3-(3-methyl-2-butenyl)benzoic acid; 2',3'-Dihydro, 2',3'-dihydroxy, Me ester 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016430	5-Deoxy-3-C-hydroxymethyllyxose; ?-L-Furanose-form, Benzyl glycoside 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016431	Antibiotic WAP 4068A; Antibiotic WAP 4068A2 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016432	Phomalone 	C13H18O5	254.115423	NA	MeJP	NA	NA
+MJ016433	Aplysinopsin 	C14H14N4O	254.116761	NA	MeJP	NA	NA
+MJ016434	Butanilicaine 	C13H19ClN2O	254.11859	NA	MeJP	NA	NA
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	HMDB	NA	NA
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	Inhouse_PFEM	NA	NA
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC004	3-Deoxyestrone	C18H22O	254.1208	RT11.5	PFEM_hmdb_metabocards_official	NA	NA
+MJ016435	Furosine 	C12H18N2O4	254.126657	NA	MeJP	NA	NA
+MJ016436	Midodrine 	C12H18N2O4	254.126657	NA	MeJP	NA	NA
+MJ016437	Pyridosine 	C12H18N2O4	254.126657	NA	MeJP	NA	NA
+MJ016438	?,?'-Diamino-2-methylenecycloheptene-1,3-diacetic acid 	C12H18N2O4	254.126657	NA	MeJP	NA	NA
+C07890	Midodrine	C12H18N2O4	254.1267	NA	KEGG	NA	NA
+C07891	Transferred to D00738	C12H18N2O4	254.1267	NA	KEGG	NA	NA
+MJ016439	3,5-Dihydroxy-4-isopropylstilbene 	C17H18O2	254.130679	NA	MeJP	NA	NA
+MJ016440	5,7-Pentadecadiene-9,11,13-triyn-1-ol; Ac 	C17H18O2	254.130679	NA	MeJP	NA	NA
+MJ016441	6,7-Dihydroxy-1,2-dimethylphenanthrene; 9,10-Dihydro, 7-Me ether 	C17H18O2	254.130679	NA	MeJP	NA	NA
+MJ016442	6,8-Hexadecadiene-10,12,14-triynoic acid, Me ester 	C17H18O2	254.130679	NA	MeJP	NA	NA
+MJ016443	9,10-Dihydro-2-hydroxy-5-(hydroxymethyl)-1,7-dimethylphenanthrene 	C17H18O2	254.130679	NA	MeJP	NA	NA
+MJ016444	Cannabiorcol 	C17H18O2	254.130679	NA	MeJP	NA	NA
+HMDB05767	Homoanserine	C11H18N4O3	254.13789	http://www.hmdb.ca/metabolites/HMDB05767	HMDB	NA	NA
+MJ016445	Homoanserine 	C11H18N4O3	254.13789	NA	MeJP	NA	NA
+MJ016446	Imuracetam 	C11H18N4O3	254.13789	NA	MeJP	NA	NA
+MJ016447	Pimonidazole 	C11H18N4O3	254.13789	NA	MeJP	NA	NA
+HMDB05767	Homoanserine	C11H18N4O3	254.13789	HMDB05767	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05767	Homoanserine	C11H18N4O3	254.137894	NA	HMDB2010	NA	NA
+PJ000104	VH 	C11H18N4O3	254.1379	NA	PeJP	NA	NA
+C06068	Elymoclavine	C16H18N2O	254.1419	NA	KEGG	NA	NA
+C07616	Amphenone B	C16H18N2O	254.1419	NA	KEGG	NA	NA
+MJ016448	Elymoclavine 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016449	Agroclavine, 10-Epimer, 8?,9?-epoxide 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016450	Dasycarpidone, De-N-Me 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016451	Doisuthine; Namide-De-Me 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016452	Elymoclavine 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016453	Erymelanthine; De(methoxycarbonyl) 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016454	Isosetoclavine 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016455	Lysergol 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016456	Paricine 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016457	Setoclavine 	C16H18N2O	254.141913	NA	MeJP	NA	NA
+MJ016458	10-Bromo-2-chloro-2,7(14)-chamigradien-9-ol; Debromo 	C15H23ClO	254.143743	NA	MeJP	NA	NA
+MJ016459	7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol, 12,13-Dihydro 	C15H23ClO	254.143743	NA	MeJP	NA	NA
+CJpos0639	Decenoylcarnitine isomer [(M+H)-(NC3H9)]+	C14H23N0O4	254.151275	C18rt(min)=8.17 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0639	Decenoylcarnitine isomer [(M+H)-(NC3H9)]+	C14H23N0O4	254.151275	C18rt(min)=8.17 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ016460	2,5,5-Trimethyl-2,6-heptadiene-1,4-diol; Di-Ac 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016461	2,5-Dihydro-5-oxo-2-furanoctanoic acid, Et ester 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016462	2,6-Dimethyl-2,6-octadiene-1,8-diol, Di-Ac 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016463	2-(4-Hydroxy-2-pentenyl)-3-oxo-1-cyclopentanebutanoic acid 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016464	2-(Acetoxymethyl)-1-(2-acetoxy-1-methylethenyl)-3-methylcyclopentane 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016465	3,7-Dimethyl-2,6-octadiene-1,4-diol; Enantiomer, di-Ac 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016466	6,13-Dihydroxy-2,4,8-tetradecatrienoic acid 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016467	Eupenoxide 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016468	Gliocladic acid 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016469	Palitantin 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016470	Pathylactone A 	C14H22O4	254.151809	NA	MeJP	NA	NA
+MJ016471	8,10,16-Octadecatriene-12,14-diynal 	C18H22O	254.167065	NA	MeJP	NA	NA
+MJ016472	Enzacamene 	C18H22O	254.167065	NA	MeJP	NA	NA
+MJ016473	Estra-1,3,5(10),16-tetraen-3-ol 	C18H22O	254.167065	NA	MeJP	NA	NA
+C14972	3-Deoxyestrone	C18H22O	254.1671	NA	KEGG	NA	NA
+C15082	4-(1-Ethyl-2-phenylbutyl)phenol	C18H22O	254.1671	NA	KEGG	NA	NA
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR380	Aldosterone F7	NA	254.168575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR380	Aldosterone F7	NA	254.168575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR380	Aldosterone F7	NA	254.168575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR380	Aldostérone F7	F7	254.168575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR380	Aldosterone F7	NA	254.168575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR380	Aldosterone F7	F7	254.168575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR385	Oestradiol F2	NA	254.168875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR385	Oestradiol F2	NA	254.168875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR385	Oestradiol F2	NA	254.168875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR385	Oestradiol F2	NA	254.168875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR385	Oestradiol F2	F2	254.168875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ016474	9-Amino-1,2,3,4-tetrahydroacridine; N-Butyl 	C17H22N2	254.178298	NA	MeJP	NA	NA
+MJ016475	Aurantioclavine, N5-Et 	C17H22N2	254.178298	NA	MeJP	NA	NA
+MJ016476	Metrafazoline 	C17H22N2	254.178298	NA	MeJP	NA	NA
+C14135	4,4'-Methylenebis(N,N-dimethylaniline)	C17H22N2	254.1783	NA	KEGG	NA	NA
+MJ016477	1(10),4(15)-Germacradiene-2,5,6-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016478	1(10),4(15)-Germacradiene-5,6,14-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016479	1(10),4-Germacradien-6-ol, 1?,10?:4?,5?-Diepoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016480	1(10),4-Germacradiene-2,6,12-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016481	1(10),4-Germacradiene-2,6-diol, 4?,5?-Epoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016482	1(10),4-Germacradiene-6,9-diol, 4?,5?-Epoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016483	1(10)-Eremophilene-2,8,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016484	1,4,11-Eudesmanetriol, 1-Ketone 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016485	1,4-Epoxy-2-hydroxy-7-isopropyl-4-methyl-5-undecen-10-one 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016486	1,6,10-Farnesatriene-3,5,9-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016487	1,6,11-Farnesatriene-3,5,10-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016488	1,6,9-Farnesatriene-3,5,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016489	1,7(14),9-Farnesatriene-3,6,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016490	10(14)-Cadinene-3,8,9-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016491	10,11-Epoxy-2,8-guaianediol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016492	10-Hydroperoxy-1,11-bisaboladien-3-ol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016493	11-Eremophilene-2,8,9-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016494	11-Eremophilene-3,8,9-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016495	11-Hydroperoxy-1,9-bisaboladien-3-ol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016496	2,10-Bisaboladiene-1,6,7-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016497	2,11-Bisaboladiene-7,10-diol; 10-Hydroperoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016498	2,3,10-Aromadendranetriol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016499	2,4,11-Eudesmanetriol, 2-Ketone 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016500	2,6,10-Farnesatriene-1,12,14-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016501	2,7-Bisaboladiene-9,10,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016502	2,8-Bisaboladiene-7,10,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016503	2,9-Bisaboladiene-7,11-diol; 11-Hydroperoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016504	3,10-Dihydroxy-4-oplopanone 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016505	3,11-Dihydroxy-1,9-farnesadien-8-one 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016506	3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 6?-alcohol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016507	3,15-Epoxy-6,7-caryophyllanediol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016508	3,4-Dihydroxydihydro-?-agarofuran 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016509	3,4-Dihydroxypallenone 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016510	4(15),10(14)-Germacradiene-3,9,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016511	4(15)-Eudesmene-1,3,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016512	4(15)-Eudesmene-1,5,6-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016513	4(15)-Eudesmene-1,6,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016514	4(15)-Eudesmene-11,12-diol, 4?,15?-Epoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016515	4(15)-Eudesmene-2,3,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016516	4(15)-Eudesmene-3,6,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016517	4(15)-Eudesmene-3,7,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016518	4(15)-Eudesmene-5,11,12-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016519	4(15)-Eudesmene-5,8,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016520	4,10(14)-Germacradiene-1,6,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016521	4,5-Epoxy-10(14)-germacrene-1,6-diol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016522	4-Eudesmene-3,6,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016523	4-Hydroxy-7-isopropyl-4-methyl-5-undecene-2,10-dione 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016524	4-Muurolene-1,10,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016525	5,10(14)-Germacradiene-1,3,4-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016526	5,10(14)-Germacradiene-1,4,8-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016527	5,7,9-Hirsutanetriol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016528	6,10-Epoxy-4,9-guaianediol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016529	6,10-Epoxy-7,10-isodaucanediol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016530	6,15-Epoxy-1,4-eudesmanediol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016531	6-Drimene-8,9,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016532	6-Guaiene-4,10,14-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016533	7,10-Epoxy-2-bisabolene-1,11-diol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016534	7,11-Dihydroxy-6-drimanone 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016535	7-Drimene-11,12,14-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016536	7-Drimene-3,11,12-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016537	7-Drimene-3,5,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016538	7-Drimene-6,9,11-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016539	7-Eudesmene-1,3,4-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016540	7-Hydroxy-6,7-seco-3(15)-caryophyllen-6-oic acid 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016541	8(14)-Daucene-4,6,9-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016542	8-Daucene-2,4,6-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016543	8-Daucene-3,4,14-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016544	8-Daucene-3,4-diol, 8?,9?-Epoxide 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016545	9,10-Dihydroxy-4-oplopanone 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016546	9-Eremophilene-1,11,12-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016547	9-Eremophilene-8,11,12-triol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016548	9-Hydroxy-10,12-pentadecadienoic acid 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016549	9-Hydroxy-2-bisabolen-15-oic acid 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016550	9-Oxo-2-bisabolen-15-oic acid, 2,3-Dihydro 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016551	Chokol H; 11-Hydroxy 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016552	Culmorin; 5R-Hydroxy 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016553	Fexerol 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016554	Helepuberinic acid 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MJ016555	Tsangane J 	C15H26O3	254.188194	NA	MeJP	NA	NA
+MetaCyc02290	3-hydroxy-15-dihydrolubimin []	C15H26O3	254.188195	NA	metacyc	NA	NA
+C17603	Kikkanol A	C15H26O3	254.1882	NA	KEGG	NA	NA
+C17606	Kikkanol D	C15H26O3	254.1882	NA	KEGG	NA	NA
+C17608	Kikkanol F	C15H26O3	254.1882	NA	KEGG	NA	NA
+C17610	Chrysanthetriol	C15H26O3	254.1882	NA	KEGG	NA	NA
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR464	Dehydrotestosterone glucuronide F9	NA	254.202575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR464	Dehydrotestosterone glucuronide F9	NA	254.202575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR464	Dehydrotestosterone glucuronide F9	NA	254.202575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR464	Déhydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR464	Dehydrotestosterone glucuronide F9	NA	254.202575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR464	Dehydrotestosterone glucuronide F9	F9	254.202575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ016556	18-Nor-4(19),8,11,13-abietatetraene 	C19H26	254.20345	NA	MeJP	NA	NA
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR455	Androsterone glucuronide F6	NA	254.203875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR455	Androsterone glucuronide F6	NA	254.203875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR455	Androsterone glucuronide F6	NA	254.203875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR455	Androstérone glucuronide F6	F6	254.203875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR455	Androsterone glucuronide F6	NA	254.203875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR455	Androsterone glucuronide F6	F6	254.203875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0640	Androsterone glucuronide [(M+H)-(C6H8O6)-2(H2O)]+	C19H27	254.203975	C18rt(min)=8.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0640	Androsterone glucuronide [(M+H)-(C6H8O6)-2(H2O)]+	C19H27	254.203975	C18rt(min)=8.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR405	Acide retinoique F3	NA	254.204375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR405	Acide retinoique F3	NA	254.204375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR405	Acide retinoique F3	NA	254.204375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR405	Acide retinoique F3	NA	254.204375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR405	Retinoic acid F3	F3	254.204375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02186	Hypogeic acid	C16H30O2	254.224579	NA	HMDB2010	NA	NA
+HMDB03229	Palmitoleic acid	C16H30O2	254.224579	NA	HMDB2010	NA	NA
+HMDB10735	Trans-Hexa-dec-2-enoic acid	C16H30O2	254.224579	NA	HMDB2010	NA	NA
+HMDB12328	Palmitelaidic acid	C16H30O2	254.224579	NA	HMDB2010	NA	NA
+HMDB03229	Palmitoleic acid	C16H30O2	254.22458	http://www.hmdb.ca/metabolites/HMDB03229	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02186	Hypogeic acid	C16H30O2	254.22458	http://www.hmdb.ca/metabolites/HMDB02186	HMDB	NA	NA
+HMDB03229	Palmitoleic acid	C16H30O2	254.22458	http://www.hmdb.ca/metabolites/HMDB03229	HMDB	NA	NA
+MJ016557	1-Hydroxy-10-hexadecen-7-one 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016558	10-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016559	10-Tetradecen-1-ol; Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016560	11-(2-Cyclopentenyl)undecanoic acid, 2',3'-Dihydro 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016561	11-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016562	11-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016563	12-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016564	13-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016565	14-Methyl-6-pentadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016566	15-Hydroxyhexadecanoic acid, Lactone 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016567	3-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016568	3-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016569	4,11-Eudesmanediol; 4?-form, 4-Me ether 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016570	4-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016571	5-Dodecyldihydro-2(3H)-furanone 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016572	5-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016573	5-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016574	6-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016575	6-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016576	8-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016577	9-Cycloheptylnonanoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016578	9-Hexadecenoic acid 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016579	9-Tetradecen-1-ol, Ac 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016580	Tetrahydro-3-undecyl-2H-pyran-2-one 	C16H30O2	254.22458	NA	MeJP	NA	NA
+MJ016581	Tetrahydro-6-undecyl-2H-pyran-2-one 	C16H30O2	254.22458	NA	MeJP	NA	NA
+HMDB03229	Palmitoleic acid	C16H30O2	254.22458	http://www.hmdb.ca/metabolites/HMDB03229	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02186	Hypogeic acid	C16H30O2	254.22458	HMDB02186	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03229	Palmitoleic acid	C16H30O2	254.22458	HMDB03229	PFEM_hmdb_metabocards_official	NA	NA
+C08362	(9Z)-Hexadecenoic acid	C16H30O2	254.2246	NA	KEGG	NA	NA
+MJ016582	14-Methyl-8-hexadecen-1-ol 	C17H34O	254.260965	NA	MeJP	NA	NA
+MJ016583	2-Heptadecanone 	C17H34O	254.260965	NA	MeJP	NA	NA
+MJ016584	6,12-Dimethyl-2-pentadecanone 	C17H34O	254.260965	NA	MeJP	NA	NA
+MJ016585	9-Heptadecanone 	C17H34O	254.260965	NA	MeJP	NA	NA
+MJ016586	Heptadecanal 	C17H34O	254.260965	NA	MeJP	NA	NA
+MJ016587	2-Methylheptadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+MJ016588	Octadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+MJ016589	5-Methylheptadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+MJ016590	6-Methylheptadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+MJ016591	7-Methylheptadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+MJ016592	8-Methylheptadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+MJ016593	9-Methylheptadecane 	C18H38	254.297351	NA	MeJP	NA	NA
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	PFEM_hmdb_metabocards_urine	NA	urine
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	HMDB	NA	NA
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	Inhouse_PFEM	NA	NA
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	PFEM_hmdb_metabocards_blood	NA	blood
+TEST006	 cys-homocysteine (cysteinylhomocysteine mixed disulfide ?)	C7H14N2O4S2	254.32706	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193401&loc=ec_rcs	PFEM_hmdb_metabocards_official	NA	NA
+7503	ACE inhibitor	TQVY	254.618	MH2+	Inhouse_peptide	NA	peptide
+8200	ACE inhibitor	PTPVP	254.6355	MH2+	Inhouse_peptide	NA	peptide
+3412	ACE inhibitor	LALPP	254.6545	MH2+	Inhouse_peptide	NA	peptide
+7669	ACE inhibitor from k-CN (94-98)	IAIPP	254.6545	MH2+	Inhouse_peptide	NA	peptide
+MJ016594	Amino (methoxysulfinyl) pentasulfide 	CH5NO2S6	254.864452	NA	MeJP	NA	NA
+MJ016595	Gallium nitrate 	GaN3O9	254.889034	NA	MeJP	NA	NA
+C11032	Trichlopyr	C7H4Cl3NO3	254.9257	NA	KEGG	NA	NA
+MJ016596	6-Bromo-2-(methylthio)-3H-indol-3-one 	C9H6BrNOS	254.935347	NA	MeJP	NA	NA
+MJ016597	Tenonitrozole 	C8H5N3O3S2	254.977232	NA	MeJP	NA	NA
+MJ016598	Brofoxine 	C10H10BrNO2	254.989491	NA	MeJP	NA	NA
+MJ016599	Anagrelide 	C10H7Cl2N3O	254.996617	NA	MeJP	NA	NA
+HMDB05043	Lamotrigine	C9H7Cl2N5	255.00784	http://www.hmdb.ca/metabolites/HMDB05043	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05043	Lamotrigine	C9H7Cl2N5	255.00784	http://www.hmdb.ca/metabolites/HMDB05043	HMDB	NA	NA
+HMDB05043	Lamotrigine	C9H7Cl2N5	255.00784	http://www.hmdb.ca/metabolites/HMDB05043	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05043	Lamotrigine	C9H7Cl2N5	255.00784	HMDB05043	PFEM_hmdb_metabocards_official	NA	NA
+MJ016600	Irsogladine 	C9H7Cl2N5	255.00785	NA	MeJP	NA	NA
+MJ016601	Lamotrigine 	C9H7Cl2N5	255.00785	NA	MeJP	NA	NA
+C11169	Sulfathiazole	C9H9N3O2S2	255.0136	NA	KEGG	NA	NA
+MJ016602	Sulfathiazole 	C9H9N3O2S2	255.013617	NA	MeJP	NA	NA
+MJ016603	Thiazosulfone 	C9H9N3O2S2	255.013617	NA	MeJP	NA	NA
+MJ016604	Sparfosic acid 	C6H10NO8P	255.014402	NA	MeJP	NA	NA
+C14001	Sulbactam sodium	C8H10NO5S	255.0177	NA	KEGG	NA	NA
+C14333	Pronamide	C12H11Cl2NO	255.0218	NA	KEGG	NA	NA
+MJ016605	Cysteine, S-[(2-Carboxy-2-hydroxyethylthio)methyl] 	C7H13NO5S2	255.023513	NA	MeJP	NA	NA
+C05656	5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate	C10H9NO7	255.0379	NA	KEGG	NA	NA
+MJ016606	5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate 	C10H9NO7	255.037901	NA	MeJP	NA	NA
+MJ016607	Secobatzelline A 	C10H10ClN3O3	255.041068	NA	MeJP	NA	NA
+C11110	Imidacloprid	C9H10ClN5O2	255.0523	NA	KEGG	NA	NA
+MJ016608	1,3-Dioxo-1H-benz[de]isoquinoline-2(3H)-acetic acid 	C14H9NO4	255.053157	NA	MeJP	NA	NA
+MJ016609	Bostrycoidin; 7-O-De-Me, 6-deoxy 	C14H9NO4	255.053157	NA	MeJP	NA	NA
+MJ016610	Narciprimine; 8-Deoxy 	C14H9NO4	255.053157	NA	MeJP	NA	NA
+C08574	Apigeninidin	C15H11O4	255.0657	NA	KEGG	NA	NA
+FL7DAANS0001	Apigeninidin	C15H11O4	255.06573	1151-98-0	knapsack	NA	NA
+MetaCyc02291	apigeninidin []	C15H11O4	255.065734	NA	metacyc	NA	NA
+C04229	1-(Indol-3-yl)propanol 3-phosphate	C11H14NO4P	255.066	NA	KEGG	NA	NA
+C04230	1-Acyl-sn-glycero-3-phosphocholine	C9H20NO7PR	255.066	NA	KEGG	NA	NA
+C04232	2'-Deoxyribonucleoside diphosphate	C5H11O9P2R	255.066	NA	KEGG	NA	NA
+C04233	2-Acyl-sn-glycero-3-phosphocholine	C9H20NO7PR	255.066	NA	KEGG	NA	NA
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR231	Acide sialique F5	NA	255.077675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR231	Acide sialique F5	NA	255.077675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR231	Acide sialique F5	NA	255.077675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR231	Acide sialique F5	NA	255.077675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR231	Sialic acid F5	F5	255.077675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ016611	Clavaminic acid, N-(Aminoacetyl) 	C10H13N3O5	255.08552	NA	MeJP	NA	NA
+CJneg0471	Pantothenic acid [(M+Cl)]-	C9H17ClNO5	255.087925	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0471	Pantothenic acid [(M+Cl)]-	C9H17ClNO5	255.087925	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07062	Ketorolac	C15H13NO3	255.0895	NA	KEGG	NA	NA
+C12199	3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridine	C15H13NO3	255.0895	NA	KEGG	NA	NA
+C14622	(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene	C15H13NO3	255.0895	NA	KEGG	NA	NA
+C15120	alpha-(p-Methoxyphenyl)-4-pyridineacrylic acid	C15H13NO3	255.0895	NA	KEGG	NA	NA
+MJ016612	(2-Amino-3-benzoylphenyl)acetic acid 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016613	1,3-Dimethoxyacridone 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016614	1,6-Dihydroxy-9H-carbazole-3-carboxaldehyde; Di-Me ether 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016615	1,8-Dihydroxy-9H-carbazole-3-carboxaldehyde; Di-Me ether 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016616	1-Hydroxy-3-methoxy-10-methylacridone 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016617	1-Methoxy-9H-carbazole-3-carboxylic acid; Me ester 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016618	2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; Di-Me ether 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016619	2-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether, Me ester 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016620	4-Hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carboxaldehyde 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016621	6-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether, Me ester 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016622	7,8-Dihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; Di-Me ether 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016623	7-Hydroxy-9H-carbazole-3-carboxylic acid; Me ether, Me ester 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016624	Ketorolac 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016625	Lansine; Me ether 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+MJ016626	Pranoprofen 	C15H13NO3	255.089543	NA	MeJP	NA	NA
+CJpos0641	Dihydroneopterin isomer [(M+H)]+	C9H14N5O4	255.096175	C18rt(min)=4.86 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0641	Dihydroneopterin isomer [(M+H)]+	C9H14N5O4	255.096175	C18rt(min)=4.86 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ016627	2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine 	C9H13N5O4	255.096753	NA	MeJP	NA	NA
+MJ016628	9-(2,3-Dihydroxy-1-propoxymethyl)guanine 	C9H13N5O4	255.096753	NA	MeJP	NA	NA
+MJ016629	Ganciclovir 	C9H13N5O4	255.096753	NA	MeJP	NA	NA
+MetaCyc02292	dihydro-neo-pterin [2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine;dihydro-neo-pterin;2-amino-4-hydroxy-6-(D-erythro)-trihydroxypropyldihydropteridin;]	C9H13N5O4	255.096754	NA	metacyc	NA	NA
+HMDB02275	7,8-Dihydroneopterin	C9H13N5O4	255.096756	NA	HMDB2010	NA	NA
+HMDB02275	7,8-Dihydroneopterin	C9H13N5O4	255.09676	http://www.hmdb.ca/metabolites/HMDB02275	HMDB	NA	NA
+HMDB02275	7,8-Dihydroneopterin	C9H13N5O4	255.09676	HMDB02275	PFEM_hmdb_metabocards_official	NA	NA
+C04874	2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-	C9H13N5O4	255.0968	NA	KEGG	NA	NA
+MJ016630	N-Ribosylnicotinamide 	C11H15N2O5	255.098096	NA	MeJP	NA	NA
+MetaCyc02293	nicotinamide riboside [N-ribosyl-nicotinamide;nicotinamide ribonucleoside;nicotinamide ribose;nicotinamide-&beta;-riboside;ribosylnicotinamide;]	C11H15N2O5	255.098097	1341-23-7	metacyc	NA	NA
+HMDB00855	Nicotinamide riboside	C11H15N2O5	255.098099	NA	HMDB2010	NA	NA
+HMDB00855	Nicotinamide riboside	C11H15N2O5	255.0981	http://www.hmdb.ca/metabolites/HMDB00855	HMDB	NA	NA
+C03150	N-Ribosylnicotinamide	C11H15N2O5	255.0981	NA	KEGG	NA	NA
+C03151	N2-Acylated Arg-CH2Cl	C8H14ClN4O2R	255.0981	NA	KEGG	NA	NA
+C03152	N2-Acylated Lys-CH2Cl	C8H14ClN2O2R	255.0981	NA	KEGG	NA	NA
+HMDB00855	Nicotinamide riboside	C11H15N2O5	255.0981	HMDB00855	PFEM_hmdb_metabocards_official	NA	NA
+MJ016631	2-(3-Trifluoromethyl)phenylhistamine 	C12H12F3N3	255.098332	NA	MeJP	NA	NA
+MJ016632	Aplysinopsin; 3'-Deimino, 3'-oxo 	C14H13N3O2	255.100776	NA	MeJP	NA	NA
+HMDB12235	Hydroxybupropion	C13H18ClNO2	255.1026	NA	HMDB2010	NA	NA
+MJ016633	Alaproclate 	C13H18ClNO2	255.102606	NA	MeJP	NA	NA
+MJ016634	Cloforex 	C13H18ClNO2	255.102606	NA	MeJP	NA	NA
+MetaCyc02294	hydroxybupropion []	C13H18N1O2CL1	255.102607	NA	metacyc	NA	NA
+CJpos0642	Carnitine derivative [(M+H)]+	C12H18NO5	255.110175	C18rt(min)=4.62 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0642	Carnitine derivative [(M+H)]+	C12H18NO5	255.110175	C18rt(min)=4.62 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+2774	protease HIV 1 inhibitor	LEYS	255.1105	MH2+	Inhouse_peptide	NA	peptide
+MJ016635	Rubrobramide 	C12H17NO5	255.110672	NA	MeJP	NA	NA
+MetaCyc02295	N-D-glucosylarylamine []	C12H17N1O5	255.110673	NA	metacyc	NA	NA
+C03142	N-D-Glucosylarylamine	C12H17NO5	255.1107	NA	KEGG	NA	NA
+C14900	6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone	C16H17NO2	255.1259	NA	KEGG	NA	NA
+C14901	1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridone	C16H17NO2	255.1259	NA	KEGG	NA	NA
+MJ016636	1,2-Dimethyl-3,4-dihydroxycarbazole; Di-Me ether 	C16H17NO2	255.125928	NA	MeJP	NA	NA
+MJ016637	2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol 	C16H17NO2	255.125928	NA	MeJP	NA	NA
+MJ016638	2-(4-Methoxyphenyl)ethylamine; N-Benzoyl 	C16H17NO2	255.125928	NA	MeJP	NA	NA
+MJ016639	Glycocitlone A; 3'-Deoxy, 3',4'-didehydro 	C16H17NO2	255.125928	NA	MeJP	NA	NA
+MJ016640	Tiprenolol 	C13H21NO2S	255.129299	NA	MeJP	NA	NA
+3746	NA	PGAIPG	255.1335	MH2+	Inhouse_peptide	NA	peptide
+MJ016641	Cetoxime 	C15H17N3O	255.137162	NA	MeJP	NA	NA
+MJ016642	Metralindole 	C15H17N3O	255.137162	NA	MeJP	NA	NA
+MJ016643	N?-Cinnamoylhistamine; (E)-1H-form, N1-Me 	C15H17N3O	255.137162	NA	MeJP	NA	NA
+MJ016644	N?-Cinnamoylhistamine; (Z)-1H-form, N1-Me 	C15H17N3O	255.137162	NA	MeJP	NA	NA
+MJ016645	Clobutinol 	C14H22ClNO	255.138992	NA	MeJP	NA	NA
+MJ016646	1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016647	1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O7-Angeloyl 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016648	1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016649	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(3-Methylbutanoyl), N-oxide 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016650	2,7-Dihydroxy-1-hydroxymethylpyrrolizidine, O9-Angeloyl 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016651	2-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl, N-oxide 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016652	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Angeloyl, N-oxide 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016653	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Tigloyl 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+MJ016654	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 6-O-Tigloyl 	C13H21NO4	255.147058	NA	MeJP	NA	NA
+C10861	Meteloidine	C13H21NO4	255.1471	NA	KEGG	NA	NA
+MetaCyc02296	pyrrolysine []	C12H21N3O3	255.158292	NA	metacyc	NA	NA
+C16138	L-Pyrrolysine	C12H21N3O3	255.1583	NA	KEGG	NA	NA
+C16139	tRNA(Pyl)	C10H17O10PR2	255.1583	NA	KEGG	NA	NA
+C16140	L-Lysyl-tRNA(Pyl)	C16H29N2O11PR2	255.1583	NA	KEGG	NA	NA
+HMDB01927	Diphenhydramine	C17H21NO	255.162308	NA	HMDB2010	NA	NA
+MJ016655	2,6,8-Tridecatriene-10,12-diynoic acid, 2-Methylpropylamide 	C17H21NO	255.162314	NA	MeJP	NA	NA
+MJ016656	2-(2-Heptenyl)-3-methyl-4(1H)-quinolinone 	C17H21NO	255.162314	NA	MeJP	NA	NA
+MJ016657	Darlingianine, 2-Ketone 	C17H21NO	255.162314	NA	MeJP	NA	NA
+MJ016658	Diphenhydramine 	C17H21NO	255.162314	NA	MeJP	NA	NA
+MJ016659	Phenyltoloxamine 	C17H21NO	255.162314	NA	MeJP	NA	NA
+MJ016660	Tofenacin 	C17H21NO	255.162314	NA	MeJP	NA	NA
+MJ016661	Tomoxetine 	C17H21NO	255.162314	NA	MeJP	NA	NA
+C07180	Tripelennamine	C16H21N3	255.1735	NA	KEGG	NA	NA
+C07181	Transferred to D00395	C16H21N3	255.1735	NA	KEGG	NA	NA
+MJ016662	Deriglidole 	C16H21N3	255.173547	NA	MeJP	NA	NA
+MJ016663	Tripelennamine 	C16H21N3	255.173547	NA	MeJP	NA	NA
+MJ016664	1,4-Dimethyl-7-(1-methylethenyl)azulene 	C18H25N	255.198699	NA	MeJP	NA	NA
+MJ016665	Dimemorfan 	C18H25N	255.198699	NA	MeJP	NA	NA
+MJ016666	Heptaverine 	C18H25N	255.198699	NA	MeJP	NA	NA
+MJ016667	Volazocine 	C18H25N	255.198699	NA	MeJP	NA	NA
+MJ016668	1-Nitro-1-pentadecene 	C15H29NO2	255.219829	NA	MeJP	NA	NA
+MJ016669	2-(2-Hydroxybutyl)-6-(2-hydroxypentyl)-1-methylpiperidine, 3,4-Didehydro 	C15H29NO2	255.219829	NA	MeJP	NA	NA
+HMDB12273	Palmitic amide	C16H33NO	255.25621	NA	HMDB2010	NA	NA
+MJ016670	Hexadecanoic acid; Amide 	C16H33NO	255.256214	NA	MeJP	NA	NA
+MetaCyc02297	S8 [elemental sulfur;orthorhombic sulfur;S0;rhombic sulfur;]	S8	255.776566	NA	metacyc	NA	NA
+MJ016671	2,3-Dibromo-2-propenoic acid, Et ester 	C5H6Br2O2	255.873454	NA	MeJP	NA	NA
+MJ016672	Trichlorfon 	C4H8Cl3O4P	255.922578	NA	MeJP	NA	NA
+C07971	Metrifonate	C4H8Cl3O4P	255.9226	NA	KEGG	NA	NA
+C07972	Transferred to D00806	C4H8Cl3O4P	255.9226	NA	KEGG	NA	NA
+MJ016673	3,5,6-Trichloro-1,2,4-benzenetriol; 1,4-Di-Me ether 	C8H7Cl3O3	255.946077	NA	MeJP	NA	NA
+MJ016674	3,5,6-Trichloro-1,2,4-benzenetriol; 2,4-Di-Me ether 	C8H7Cl3O3	255.946077	NA	MeJP	NA	NA
+C14357	2,3,4-Trichlorobiphenyl	C12H7Cl3	255.9613	NA	KEGG	NA	NA
+C14358	2,3',5-Trichlorobiphenyl	C12H7Cl3	255.9613	NA	KEGG	NA	NA
+C14359	2,3,6-Trichlorobiphenyl	C12H7Cl3	255.9613	NA	KEGG	NA	NA
+C12491	Pyrrolnitrin	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12492	Transferred to D01095	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12493	Transferred to D01096	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12494	Transferred to D01097	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12495	Transferred to D01098	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12496	Transferred to D01099	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12497	Transferred to D01100	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12498	Transferred to D01101	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12499	Transferred to D01102	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12500	Transferred to D01103	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12501	Transferred to D01104	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12502	Transferred to D01105	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12503	Transferred to D01106	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12504	Transferred to D01107	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12505	Transferred to D01108	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12506	Transferred to D01109	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+C12507	Transferred to D01110	C10H6Cl2N2O2	255.9806	NA	KEGG	NA	NA
+MJ016675	2,3-Dichloro-4-(2-nitrophenyl)pyrrole 	C10H6Cl2N2O2	255.980632	NA	MeJP	NA	NA
+MJ016676	Pyrrolnitrin 	C10H6Cl2N2O2	255.980632	NA	MeJP	NA	NA
+C02812	Ascorbate 2-sulfate	C6H8O9S	255.9889	NA	KEGG	NA	NA
+C02813	Bacterial cell wall	C6H8O9S	255.9889	NA	KEGG	NA	NA
+C16186	L-Ascorbate 6-phosphate	C6H9O9P	255.9984	NA	KEGG	NA	NA
+MetaCyc02298	2-phospho-L-ascorbate [2-phosphoascorbate;ascorbic acid 2-phosphate;]	C6H9O9P1	255.998418	NA	metacyc	NA	NA
+MetaCyc02299	L-ascorbate-6-phosphate []	C6H9O9P1	255.998418	NA	metacyc	NA	NA
+C11585	4-Methylumbelliferone sulfate	C10H8O6S	256.0042	NA	KEGG	NA	NA
+MJ016677	Sulfathiadiazole 	C8H8N4O2S2	256.008866	NA	MeJP	NA	NA
+MJ016678	3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid, 5-Chloro 	C11H9ClO5	256.013851	NA	MeJP	NA	NA
+CJpos0643	7-Methylxanthine [(M+Na)+(HCOONa)]+	C7H7N4Na2O4	256.017875	C18rt(min)=4.01 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0643	7-Methylxanthine [(M+Na)+(HCOONa)]+	C7H7N4Na2O4	256.017875	C18rt(min)=4.01 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ016679	Secobatzelline A; 4-Deimino, 4-oxo 	C10H9ClN2O4	256.025084	NA	MeJP	NA	NA
+C15189	3-(4-Chlorophenyl)-2H-1-benzopyran-2-one	C15H9ClO2	256.0291	NA	KEGG	NA	NA
+FL1A99NSH001	4'-Chloroaurone	C15H9ClO2	256.0291	38216-61-4	knapsack	NA	NA
+MJ016680	2-(4-Chlorophenyl)-1,3-indanedione 	C15H9ClO2	256.029107	NA	MeJP	NA	NA
+MJ016681	4'-Chloroaurone 	C15H9ClO2	256.029107	NA	MeJP	NA	NA
+MJ016682	1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Pentanoyl 	C10H12N2O2S2	256.034019	NA	MeJP	NA	NA
+MJ016683	Pyrrothine; N-(2-Methylpropanoyl) 	C10H12N2O2S2	256.034019	NA	MeJP	NA	NA
+MJ016684	1,2,3-Trihydroxyanthraquinone 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016685	1,2,3-Trihydroxyxanthone; 2,3-Methylene ether 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016686	1,2,4-Trihydroxyanthraquinone 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016687	1,3,6-Trihydroxyanthraquinone 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016688	1,3,8-Trihydroxyanthraquinone 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016689	2,3,4-Trihydroxyxanthone; 2,3-Methylene ether 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016690	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016691	Kigelinone, 1'-Ketone 	C14H8O5	256.037173	NA	MeJP	NA	NA
+MJ016692	Lambertellin 	C14H8O5	256.037173	NA	MeJP	NA	NA
+C10297	Anthragallol	C14H8O5	256.0372	NA	KEGG	NA	NA
+C10395	Purpurin	C14H8O5	256.0372	NA	KEGG	NA	NA
+MJ016693	2,3-Dihydroxy-1-phenazinecarboxylic acid 	C13H8N2O4	256.048406	NA	MeJP	NA	NA
+MJ016694	2,6-Dihydroxy-1-phenazinecarboxylic acid 	C13H8N2O4	256.048406	NA	MeJP	NA	NA
+MJ016695	2,9-Dihydroxy-1-phenazinecarboxylic acid 	C13H8N2O4	256.048406	NA	MeJP	NA	NA
+MJ016696	2-Amino-3-oxo-3H-phenoxazine-1-carboxylic acid 	C13H8N2O4	256.048406	NA	MeJP	NA	NA
+MJ016697	2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid 	C13H8N2O4	256.048406	NA	MeJP	NA	NA
+MJ016698	3,6-Dihydroxy-1-phenazinecarboxylic acid 	C13H8N2O4	256.048406	NA	MeJP	NA	NA
+MJ016699	5-Hydroxytryptamine; O-Sulfate 	C10H12N2O4S	256.051777	NA	MeJP	NA	NA
+C00225	Methyl viologen	C12H14N2	256.0534	NA	KEGG	NA	NA
+C00226	Primary alcohol	CH3OR	256.0534	NA	KEGG	NA	NA
+MJ016700	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; Ac 	C15H12O2S	256.0558	NA	MeJP	NA	NA
+MJ016701	5-[5-(3-Buten-1-ynyl)-2-thienyl]-2-penten-4-yn-1-ol, Ac 	C15H12O2S	256.0558	NA	MeJP	NA	NA
+MJ016702	Islandic acid II 	C11H12O7	256.058302	NA	MeJP	NA	NA
+MJ016703	Multicolic acid; 5'-Carboxylic acid 	C11H12O7	256.058302	NA	MeJP	NA	NA
+MJ016704	Piscidic acid 	C11H12O7	256.058302	NA	MeJP	NA	NA
+MJ016705	Ustic acid 	C11H12O7	256.058302	NA	MeJP	NA	NA
+MJ016706	3-(2-Dimethylaminoethyl)-4-hydroxyindole; Di-N-de-Me, O-phosphate 	C10H13N2O4P	256.061293	NA	MeJP	NA	NA
+HMDB05760	Dihydrodaidzein	C15H12O4	256.073547	NA	HMDB2010	NA	NA
+HMDB05760	Dihydrodaidzein	C15H12O4	256.07355	http://www.hmdb.ca/metabolites/HMDB05760	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB05760	Dihydrodaidzein	C15H12O4	256.07355	http://www.hmdb.ca/metabolites/HMDB05760	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB05760	Dihydrodaidzein	C15H12O4	256.07355	http://www.hmdb.ca/metabolites/HMDB05760	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB05760	Dihydrodaidzein	C15H12O4	256.07355	http://www.hmdb.ca/metabolites/HMDB05760	HMDB	NA	NA
+FL1C1ANS0001	Isoliquiritigenin	C15H12O4	256.07355	961-29-5	knapsack	NA	NA
+FL1C9ANS0003	4,2',5'-Trihydroxychalcone	C15H12O4	256.07355	193746-17-7	knapsack	NA	NA
+FL1C9CNS0001	3,4,2'-Trihydroxychalcone	C15H12O4	256.07355	-	knapsack	NA	NA
+FL1CA9NS0001	2',4',6'-Trihydroxychalcone	C15H12O4	256.07355	4197-97-1	knapsack	NA	NA
+FL1CUNNS0003	Lucidone	C15H12O4	256.07355	19956-53-7	knapsack	NA	NA
+FL2F1ANS0001	Liquiritigenin	C15H12O4	256.07355	578-86-9	knapsack	NA	NA
+FL2FA9NS0001	Pinocembrin	C15H12O4	256.07355	480-39-7	knapsack	NA	NA
+FL4D19NS0001	3,7-dihydroxyflavanone	C15H12O4	256.07355	41680-10-8	knapsack	NA	NA
+FLIB1ANS0001	Dihydrodaidzein;7,4'-Dihydroxyisoflavanone	C15H12O4	256.07355	17238-05-0	knapsack	NA	NA
+FLICWXNS0001	Haginin D;7,2',4'-Trihydroxyisoflavene	C15H12O4	256.07355	79852-13-4	knapsack	NA	NA
+FLID1ANS0002	Demethylmedicarpin;3,9-Dihydroxypterocarpan	C15H12O4	256.07355	61135-91-9	knapsack	NA	NA
+FLII1ANS0003	6-Demethylvignafuran;6-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)benzofuran	C15H12O4	256.07355	74048-90-1	knapsack	NA	NA
+FLII1ANS0004	Centrolobofuran;2-(2'-Hydroxy-4'-methoxyphenyl)benzofuran-6-ol	C15H12O4	256.07355	67685-33-0	knapsack	NA	NA
+HMDB05760	Dihydrodaidzein	C15H12O4	256.07355	HMDB05760	PFEM_hmdb_metabocards_official	NA	NA
+MJ016707	1,2-Dihydroxyxanthone; Di-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016708	1,3,8,9-Tetrahydroxy-6-methylanthracene 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016709	1,8-Dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016710	2',3,4-Trihydroxychalcone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016711	2',4',6'-Trihydroxychalcone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016712	2',4',7-Trihydroxy-2-isoflavene 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016713	2',4',7-Trihydroxyisoflavene 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016714	2',4,4'-Trihydroxychalcone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016715	2,3,4,5-Phenanthrenetetrol; 4-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016716	2,3,4,7-Phenanthrenetetrol; 4-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016717	2,3-Dihydroxyxanthone; Di-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016718	2,4,4'-Trihydroxychalcone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016719	2,4-Dihydroxy-6-(2-phenylethenyl)benzoic acid 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016720	2,6-Dihydroxy-1,8-dimethyl-3H-xanthen-3-one 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016721	2,7-Dihydroxy-1,4-phenanthraquinone; 9,10-Dihydro, 2-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016722	2,7-Dihydroxy-1,4-phenanthraquinone; 9,10-Dihydro, 7-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016723	2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran; 2'-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016724	2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran; 4'-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016725	2-Acetoxybenzoic acid; Ph ester 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016726	3,4-Dihydro-6,8-dihydroxy-3-phenyl-1H-2-benzopyran-1-one 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016727	3,7-Dihydroxyflavanone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016728	3,9-Dihydroxypterocarpan 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016729	3-Hydroxydehydroiso-?-lapachone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016730	4',7-Dihydroxyflavanone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016731	4',7-Dihydroxyisoflavanone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016732	4-(3,4,5-Trihydroxyphenyl)benzofuran; 3'-Me ether 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016733	4-Methoxy-3,4'-oxybisbenzaldehyde 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016734	5,7-Dihydroxyflavanone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016735	8-Hydroxy-1-hydroxymethyl-3-methylxanthone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016736	Arnocoumarin; 9-Methoxy 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016737	Aspergione D; 1,2-Didehydro, 4-ketone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016738	Dehydroiso-?-lapachone, 5-Hydroxy 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016739	Dehydroiso-?-lapachone, 6-Hydroxy 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016740	Dehydroiso-?-lapachone, 7-Hydroxy 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016741	Dehydroiso-?-lapachone, 8-Hydroxy 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016742	Dehydroptaeroxylin 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016743	Eleutherinol 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016744	Frutescin; 1'-Oxo 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016745	Furoaloesone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016746	Hortinone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016747	Hydrangeic acid 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016748	Hydrangenol 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016749	Isagarin 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016750	Lucidone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016751	Mansonone F; 14-Hydroxy 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016752	Methyl 2-hydroxybenzoate; Benzoyl 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016753	Mycosinol; Ac (7E-) 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016754	Mycosinol; Ac (7Z-) 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016755	Stenocarpone B, 2,3-Didehydro 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016756	?-Caryopterone 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MJ016757	?-Lapachone; 4-Oxo 	C15H12O4	256.073558	NA	MeJP	NA	NA
+MetaCyc02300	pinocembrin chalcone []	C15H12O4	256.073559	NA	metacyc	NA	NA
+MetaCyc02301	(2S)-pinocembrin []	C15H12O4	256.073559	NA	metacyc	NA	NA
+MetaCyc02302	(6aR,11aR)-3,9-dihydroxypterocarpan [(-)-3,9-dihydroxypterocarpan;]	C15H12O4	256.073559	NA	metacyc	NA	NA
+MetaCyc02303	liquiritigenin [7,4'-dihydroxyflavanone;]	C15H12O4	256.073559	NA	metacyc	NA	NA
+MetaCyc02304	isoliquiritigenin [42'4'-trihydroxychalcone;]	C15H12O4	256.073559	NA	metacyc	NA	NA
+C04271	(6aR,11aR)-3,9-Dihydroxypterocarpan	C15H12O4	256.0736	NA	KEGG	NA	NA
+C08650	Isoliquiritigenin	C15H12O4	256.0736	NA	KEGG	NA	NA
+C09762	Liquiritigenin	C15H12O4	256.0736	NA	KEGG	NA	NA
+C09827	Pinocembrin	C15H12O4	256.0736	NA	KEGG	NA	NA
+C10262	Hydrangenol	C15H12O4	256.0736	NA	KEGG	NA	NA
+C15609	3',5'-Dihydroxyflavanone	C15H12O4	256.0736	NA	KEGG	NA	NA
+C16404	Pinocembrin chalcone	C15H12O4	256.0736	NA	KEGG	NA	NA
+C16760	Aloe emodin anthrone	C15H12O4	256.0736	NA	KEGG	NA	NA
+MJ016758	Chlormidazole 	C15H13ClN2	256.076726	NA	MeJP	NA	NA
+MJ016759	3,3-Bis(ethylthio)pentane; S,S,S',S'-Tetraoxide 	C9H20O4S2	256.0803	NA	MeJP	NA	NA
+C05841	Nicotinate D-ribonucleoside	C11H14NO6	256.0821	NA	KEGG	NA	NA
+HMDB06809	Nicotinate D-ribonucleoside	C11H14NO6	256.082123	NA	HMDB2010	NA	NA
+MJ016760	4-Aminophenol; N-Ac, 3-pyridinecarbonyl ester 	C14H12N2O3	256.084792	NA	MeJP	NA	NA
+MJ016761	4-Methoxy-?-carboline-1-carboxylic acid; Me ester 	C14H12N2O3	256.084792	NA	MeJP	NA	NA
+MJ016762	7-Methoxy-?-carboline-1-carboxylic acid; Me ester 	C14H12N2O3	256.084792	NA	MeJP	NA	NA
+MJ016763	?-Carboline-1-propanoic acid; 7-Hydroxy 	C14H12N2O3	256.084792	NA	MeJP	NA	NA
+MJ016764	Picrasidine X 	C14H12N2O3	256.084792	NA	MeJP	NA	NA
+C15341	Fluorofelbamate	C11H13FN2O4	256.0859	NA	KEGG	NA	NA
+MJ016765	Antibiotic NS 5 	C11H16N2O3S	256.088163	NA	MeJP	NA	NA
+MJ016766	Ozolinone 	C11H16N2O3S	256.088163	NA	MeJP	NA	NA
+C17368	NS-5	C11H16N2O3S	256.0882	NA	KEGG	NA	NA
+MJ016767	2',3',4',5',6'-Pentahydroxyacetophenone; 2',3',4',5'-Tetra Me-ether 	C12H16O6	256.094688	NA	MeJP	NA	NA
+MJ016768	4,6-Nonadiene-2,3,7-tricarboxylic acid 	C12H16O6	256.094688	NA	MeJP	NA	NA
+MJ016769	Dactylose A 	C12H16O6	256.094688	NA	MeJP	NA	NA
+MJ016770	Viridicatic acid 	C12H16O6	256.094688	NA	MeJP	NA	NA
+C02578	Phenylgalactoside	C12H16O6	256.0947	NA	KEGG	NA	NA
+C02579	Polygalacturonide	C12H16O6	256.0947	NA	KEGG	NA	NA
+C03097	Aryl beta-D-glucoside	C12H16O6	256.0947	NA	KEGG	NA	NA
+C11611	Phenyl beta-D-glucopyranoside	C12H16O6	256.0947	NA	KEGG	NA	NA
+C11612	Polymyxin B	C55H95N16O13R	256.0947	NA	KEGG	NA	NA
+C11613	Polymyxin B sulfate	C55H95N16O13R	256.0947	NA	KEGG	NA	NA
+C11614	Prenyl-Cys methyl esters	C10H17N2O3SR	256.0947	NA	KEGG	NA	NA
+MJ016771	Alboinone 	C13H12N4O2	256.096025	NA	MeJP	NA	NA
+MJ016772	Tienocarbine 	C15H16N2S	256.103419	NA	MeJP	NA	NA
+C15497	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	C11H16N2O5	256.1059	NA	KEGG	NA	NA
+C15498	ROOH	HO2R	256.1059	NA	KEGG	NA	NA
+MJ016773	2-Amino-3-methylene-4-pentenoic acid; N-?-Glutamyl 	C11H16N2O5	256.105921	NA	MeJP	NA	NA
+MJ016774	?-Glutamyl-2-amino-3,5-hexadienoic acid 	C11H16N2O5	256.105921	NA	MeJP	NA	NA
+MJ016775	Edoxudine 	C11H16N2O5	256.105921	NA	MeJP	NA	NA
+MJ016776	?-(Methylenecyclopropyl)glycine, N-?-Glutamyl 	C11H16N2O5	256.105921	NA	MeJP	NA	NA
+HMDB11648	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	C11H16N2O5	256.105927	NA	HMDB2010	NA	NA
+3250	beta-casomorphin	YPSF	256.1075	MH2+	Inhouse_peptide	NA	peptide
+MJ016777	sn-Glycero-3-phosphocholine 	C9H21O6P	256.107574	NA	MeJP	NA	NA
+C08731	Xenognosin A	C16H16O3	256.1099	NA	KEGG	NA	NA
+C09505	Broussin	C16H16O3	256.1099	NA	KEGG	NA	NA
+C09650	7,4'-Dihydroxy-8-methylflavan	C16H16O3	256.1099	NA	KEGG	NA	NA
+C10267	Loroglossol	C16H16O3	256.1099	NA	KEGG	NA	NA
+C10272	Orchinol	C16H16O3	256.1099	NA	KEGG	NA	NA
+C10287	Pterostilbene	C16H16O3	256.1099	NA	KEGG	NA	NA
+FL1D19NS0002	2'-Hydroxy-4'-methoxydihydrochalcone;2'-Hydroxy-4'-methoxy-3-phenylpropiophenone	C16H16O3	256.10994	22141-31-7	knapsack	NA	NA
+FL1D19NS0003	2'-Methoxy-4'-hydroxydihydrochalcone	C16H16O3	256.10994	145544-40-7	knapsack	NA	NA
+FL1DRTNS0006	2-Methoxy-4-hydroxydihydrochalcone	C16H16O3	256.10994	196863-37-3	knapsack	NA	NA
+FL6F1ANM0001	7,4'-Dihydroxy-8-methylflavan	C16H16O3	256.10994	75412-98-5	knapsack	NA	NA
+FL6F1ANS0001	Broussin	C16H16O3	256.10994	76045-50-6	knapsack	NA	NA
+FL6F1ANS0003	4'-Hydroxy-7-methoxyflavan	C16H16O3	256.10994	27348-54-5	knapsack	NA	NA
+FL6FA9NS0001	7-Hydroxy-5-methoxyflavan	C16H16O3	256.10994	35290-20-1	knapsack	NA	NA
+FLNC29NS0002	Obtusaquinol;(R,S)-2,5-Dihydroxy-4-methoxydalbergiquinol	C16H16O3	256.10994	09/07/3527	knapsack	NA	NA
+MJ016778	1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,4-Methylene, 3'-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016779	1-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3,4-Methylene, 4'-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016780	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3,4'-Di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016781	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3,5-Di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016782	17-Methylbothrioclinin 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016783	2,3,5-Phenanthrenetriol; 9,10-Dihydro, 2,3-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016784	2,3,5-Phenanthrenetriol; 9,10-Dihydro, 3,5-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016785	2,3,7-Phenanthrenetriol; 9,10-Dihydro, 3,7-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016786	2,4,7-Phenanthrenetriol; 9,10-Dihydro, 2,4-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016787	2,5,6-Phenanthrenetriol; 9,10-Dihydro, 2,6-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016788	2,5,6-Phenanthrenetriol; 9,10-Dihydro, 5,6-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016789	2-Cyclohexyl-3-hydroxy-1,4-naphthoquinone 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016790	2-Hydroxy-3-prenylnaphthoquinone; Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016791	3,4,5-Phenanthrenetriol; 9,10-Dihydro, 3,4-di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016792	3-(1,1-Dimethyl-2-propenyl)-6-phenyl-2H-pyran-2,4(3H)-dione 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016793	3-(2,4-Dihydroxyphenyl)-1-phenyl-1-propanone; 2-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016794	3-Hydroxy-4-(4-hydroxyphenyl)-1-phenyl-2-butanone 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016795	3-Phenyl-1,2-propanediol, 2-Benzoyl 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016796	4',7-Dihydroxy-8-methylflavan 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016797	4',7-Dihydroxyflavan, 4'-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016798	4',7-Dihydroxyflavan, 7-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016799	4',7-Dihydroxyhomoisoflavan 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016800	4',7-Dihydroxyisoflavan, 4'-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016801	4',7-Dihydroxyisoflavan, 7-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016802	4,6-Tetradecadiene-8,10,12-triyne-1,3-diol, 3-Ac 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016803	4-(3-Phenyl-2-propenyl)-1,2,3-benzenetriol, 2'-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016804	5,7-Dihydroxyflavan, 5-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016805	5-Methoxy-2(3)-(3-methyl-2-propenyl)-1,4-naphthoquinone 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016806	9,10-Dihydro-2,4,5-trihydroxyphenanthrene; 2,4-Di-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016807	9-Methylcyclolongipesin 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016808	Bothrioclinin; 10-Ethyl homologue 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016809	Cordiachrome G 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016810	Dalbergiphenol, 2-O-De-Me 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016811	Demethylcacalohastine; 3,4-Didehydro, 13-hydroxy, 9-Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016812	Echinofuran; Deacetoxy 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016813	Elaeagin; 1',2'-Didehydro 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016814	Hyperenone A; O-De-Me 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016815	Ichthyothereol, Ac 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016816	Obtusafuran 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016817	Violastyrene; 5-O-De-Me 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016818	Xanthorrhoeol, Me ether 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MJ016819	Xenognosin A 	C16H16O3	256.109944	NA	MeJP	NA	NA
+MetaCyc02305	pterostilbene []	C16H16O3	256.109944	NA	metacyc	NA	NA
+CJpos0644	Carnitine derivative [(M+H)]+ (13C)	C1113CH18NO5	256.113475	C18rt(min)=4.62 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0644	Carnitine derivative [(M+H)]+ (13C)	C1113CH18NO5	256.113475	C18rt(min)=4.62 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C06975	Echothiophate	C9H23NO3PS	256.1136	NA	KEGG	NA	NA
+MJ016820	Ipramidil 	C10H16N4O4	256.117155	NA	MeJP	NA	NA
+MetaCyc02306	2-(3-carboxy-3-aminopropyl)-L-histidine [2-amino-4-[[4-(2-amino-2-carboxy-ethyl)-1H-imidazol-2-yl]] butanoic acid;]	C10H16N4O4	256.117155	NA	metacyc	NA	NA
+HMDB11655	2-(3-Carboxy-3-aminopropyl)-L-histidine	C10H16N4O4	256.117157	NA	HMDB2010	NA	NA
+PJ000105	TH 	C10H16N4O4	256.1172	NA	PeJP	NA	NA
+MJ016821	4,8-Dihydroxy-1-vinyl-?-carboline; 1',2'-Dihydro, di-Me ether 	C15H16N2O2	256.121177	NA	MeJP	NA	NA
+MJ016822	Albonoursin 	C15H16N2O2	256.121177	NA	MeJP	NA	NA
+MJ016823	Nafagrel 	C15H16N2O2	256.121177	NA	MeJP	NA	NA
+MJ016824	Quinolactacin B 	C15H16N2O2	256.121177	NA	MeJP	NA	NA
+MetaCyc02307	ancymidol [reducymol;A-rest solution;]	C15H16N2O2	256.121178	NA	metacyc	NA	NA
+MetaCyc02308	ancymidol []	C15H16N2O2	256.121178	NA	metacyc	NA	NA
+MJ016825	Thiotetrabarbital 	C12H20N2O2S	256.124548	NA	MeJP	NA	NA
+C14134	Triphenylethylene	C20H16	256.1252	NA	KEGG	NA	NA
+MJ016826	1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 1,2',4',5'-Tetra-Me ether 	C13H20O5	256.131073	NA	MeJP	NA	NA
+MJ016827	1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2,2',4',5'-Tetra-Me ether 	C13H20O5	256.131073	NA	MeJP	NA	NA
+MJ016828	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 	C13H20O5	256.131073	NA	MeJP	NA	NA
+MJ016829	2,4-Diamino-4'-ethoxyazobenzene 	C14H16N4O	256.132411	NA	MeJP	NA	NA
+MJ016830	Aplysinopsin; 1',8-Dihydro 	C14H16N4O	256.132411	NA	MeJP	NA	NA
+MJ016831	Pulcherriminic acid 	C12H20N2O4	256.142307	NA	MeJP	NA	NA
+MJ016832	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,3,N8-Tri-Me 	C13H16N6	256.143644	NA	MeJP	NA	NA
+MJ016833	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; N8,N8,1-Tri-Me 	C13H16N6	256.143644	NA	MeJP	NA	NA
+MJ016834	Paragracine 	C13H16N6	256.143644	NA	MeJP	NA	NA
+MJ016835	Pseudozoanthoxin A; 1,N6,N6-Tri-Me 	C13H16N6	256.143644	NA	MeJP	NA	NA
+MJ016836	Pseudozoanthoxin A; 3,N6,N6-Tri-Me 	C13H16N6	256.143644	NA	MeJP	NA	NA
+MJ016837	Pseudozoanthoxin A; N2,N2,N6-Tri-Me 	C13H16N6	256.143644	NA	MeJP	NA	NA
+C14339	3,3'-Dimethylbisphenol A	C17H20O2	256.1463	NA	KEGG	NA	NA
+C15206	3,3-Bis(4-hydroxyphenyl)pentane	C17H20O2	256.1463	NA	KEGG	NA	NA
+MJ016838	1,5-Diphenyl-1,3-pentanediol 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016839	1,8,12,14-Heptadecatetraene-4,6-diyne-3,11-diol 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016840	1,9-Heptadecadiene-4,6-diyne-3,8-diol, Diketone 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016841	17-Hydroxy-5,7,9-heptadecatriene-11,13-diyn-4-one 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016842	2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 14-Ketone 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016843	2-(3-Methyl-2-butenyl)-1,4-naphthalenediol; Di-Me ether 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016844	5,7,13-Pentadecatriene-9,11-diyn-1-ol, Ac 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016845	6,8,14-Hexadecatrien-10,12-diynoic acid, Me ester 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016846	7,9,15-Heptadecatriene-11,13-diynoic acid 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MJ016847	8-Hydroxy-1,9,16-heptadecatriene-4,6-diyne-3-one 	C17H20O2	256.146329	NA	MeJP	NA	NA
+MetaCyc02309	4,9,13-trimethyltetradeca-2,4,6,8,10,12-hexaene-1,14-dial []	C17H20O2	256.14633	NA	metacyc	NA	NA
+MJ016848	Chanoclavine I 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016849	Fumigaclavine B 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016850	Huperzine B 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016851	Huperzinine; N-De-Me 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016852	Isofumigaclavine A, O-De-Ac 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016853	Lysergol; 9,10-Dihydro 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016854	Paliclavine 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016855	Pseudophrynaminol, 4'-Aldehyde 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+MJ016856	Setoclavine, 9,10?-Dihydro 	C16H20N2O	256.157563	NA	MeJP	NA	NA
+C09131	Chanoclavine-I	C16H20N2O	256.1576	NA	KEGG	NA	NA
+C09866	Huperzine B	C16H20N2O	256.1576	NA	KEGG	NA	NA
+3655	NA	IKPR	256.1655	MH2+	Inhouse_peptide	NA	peptide
+CJpos0645	Decanoylcarnitine isomer [(M+H)-(NC3H9)]+	C14H25N0O4	256.166875	C18rt(min)=8.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0645	Decanoylcarnitine isomer [(M+H)-(NC3H9)]+	C14H25N0O4	256.166875	C18rt(min)=8.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ016857	3-Hydroxy-6-isopropyl-3-methyl-9-oxo-4-decenoic acid 	C14H24O4	256.167459	NA	MeJP	NA	NA
+MJ016858	6-Butyl-6-ethyl-4-ethylidene-1,2-dioxan-3-acetic acid 	C14H24O4	256.167459	NA	MeJP	NA	NA
+MJ016859	Nebostinel 	C13H24N2O3	256.178692	NA	MeJP	NA	NA
+C02453	Phenolic steroid	C18H24O	256.1827	NA	KEGG	NA	NA
+C14239	3-Deoxyestradiol	C18H24O	256.1827	NA	KEGG	NA	NA
+MJ016860	9,16-Octadecadiene-12,14-diynal 	C18H24O	256.182715	NA	MeJP	NA	NA
+MJ016861	Bakuchiol 	C18H24O	256.182715	NA	MeJP	NA	NA
+MJ016862	Cyclobakuchiol A 	C18H24O	256.182715	NA	MeJP	NA	NA
+MJ016863	Drupanol 	C18H24O	256.182715	NA	MeJP	NA	NA
+MJ016864	Faveline; Deoxo 	C18H24O	256.182715	NA	MeJP	NA	NA
+MJ016865	Montiporyne F 	C18H24O	256.182715	NA	MeJP	NA	NA
+MetaCyc02310	a phenolic steroid []	C18H24O1	256.182715	NA	metacyc	NA	NA
+MJ016866	2-(12-Amino-3,7,9-dodecatrienyl)pyridine 	C17H24N2	256.193948	NA	MeJP	NA	NA
+MJ016867	Lycodine; N-Me 	C17H24N2	256.193948	NA	MeJP	NA	NA
+MJ016868	1,2,10-Cadinanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016869	1,4,11-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016870	1,4,11-Oppositanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016871	1,4,6-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016872	1,4,7-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016873	1,5,11-Guaianetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016874	11-Bisabolene-7,10,15-triol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016875	2,4,11-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016876	3,4,11-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016877	3,4,14-Daucanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016878	3,7,11-Trimethyl-10-oxododecanoic acid 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016879	4,5,10-Cadinanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016880	4,6,10-Guaianetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016881	4,6,11-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016882	4,8,11-Eudesmanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016883	5-Hydroxy-11-cyclofarnesanoic acid 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016884	6,7,10-Isodaucanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016885	7,8,11-Drimanetriol 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016886	7-Hydroxy-4-tetradecenoic acid, Me ether 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016887	8-Hydroxy-4-pentadecenoic acid 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016888	9-Hydroxy-15-bisabolanoic acid 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016889	Chokol E 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016890	Cyclonerodiol oxide 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016891	Cyclonerodiol; 12-Hydroxy 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016892	Ipomeatetrahydrofuran 	C15H28O3	256.203844	NA	MeJP	NA	NA
+MJ016893	18-Nor-4(19),7,15-isopimaratriene 	C19H28	256.2191	NA	MeJP	NA	NA
+MJ016894	8,14-Dimethyl-2,4,6-heptadecatriyne 	C19H28	256.2191	NA	MeJP	NA	NA
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR515	12-HPETE F4	NA	256.222025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR515	12-HPETE F4	NA	256.222025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR515	12-HPETE F4	NA	256.222025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR515	12-HPETE F4	NA	256.222025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR515	12-HPETE F4	F4	256.222025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C11076	2-N-Dodecyltetrahydrothiophene	C16H32S	256.2225	NA	KEGG	NA	NA
+MJ016895	1,1-Decamethylenediguanidine 	C12H28N6	256.237544	NA	MeJP	NA	NA
+C00249	Hexadecanoic acid	C16H32O2	256.2402	NA	KEGG	NA	NA
+HMDB00220	Palmitic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB00220	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00220	Palmitic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB00220	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00220	Palmitic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB00220	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00220	Palmitic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB00220	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00220	Palmitic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB00220	HMDB	NA	NA
+HMDB02396	Trimethyltridecanoic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB02396	HMDB	NA	NA
+MJ016896	1-Hydroxy-3-hexadecanone 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016897	1-Tetradecanol; Ac 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016898	10,13-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016899	11-Methylpentadecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016900	13,13-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016901	14-Methylpentadecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016902	2,12-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016903	2,13-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016904	2,4,6-Trimethyltridecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016905	2,4-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016906	3,7-Dimethyl-2-undecanol, Propanoyl 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016907	3-Methylpentadecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016908	4,12-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016909	4,13-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016910	4,8,12-Trimethyltridecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016911	8-Methylpentadecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016912	9,13-Dimethyltetradecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016913	Dodecanoic acid; Butyl ester 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016914	Hexadecanoic acid 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016915	Octanoic acid; Octyl ester 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MJ016916	Palmitate 	C16H32O2	256.24023	NA	MeJP	NA	NA
+MetaCyc02311	palmitate [Hexadecanoate (n-C16:0);palmitic acid;hexadecanoate;]	C16H32O2	256.24023	57-10-3	metacyc	NA	NA
+HMDB00220	Palmitic acid	C16H32O2	256.24023	http://www.hmdb.ca/metabolites/HMDB00220	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00220	Palmitic acid	C16H32O2	256.24023	HMDB00220	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02396	Trimethyltridecanoic acid	C16H32O2	256.24023	HMDB02396	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00220	Palmitic acid	C16H32O2	256.240234	NA	HMDB2010	NA	NA
+HMDB02396	Trimethyltridecanoic acid	C16H32O2	256.240234	NA	HMDB2010	NA	NA
+MJ016917	Pemerid 	C15H32N2O	256.251463	NA	MeJP	NA	NA
+MJ016918	3,7-Dimethyl-2-pentadecanol 	C17H36O	256.276615	NA	MeJP	NA	NA
+MJ016919	3-Heptadecanol 	C17H36O	256.276615	NA	MeJP	NA	NA
+MJ016920	4-Methyl-7-hexadecanol 	C17H36O	256.276615	NA	MeJP	NA	NA
+MJ016921	6,10,13-Trimethyl-1-tetradecanol 	C17H36O	256.276615	NA	MeJP	NA	NA
+7695	ACE inhibitor from wakame	KFYG	256.623	MH2+	Inhouse_peptide	NA	peptide
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	256.6380005	MH2+	Inhouse_peptide	NA	peptide
+MJ016922	7-Bromo-5-chloro-8-hydroxyquinoline 	C9H5BrClNO	256.924304	NA	MeJP	NA	NA
+MJ016923	Romifidine 	C9H9BrFN3	256.996388	NA	MeJP	NA	NA
+MJ016924	5-Bromo-2-hydroxybenzoic acid; Isopropylamide 	C10H12BrNO2	257.005141	NA	MeJP	NA	NA
+MJ016925	Deoxyrubroflavin 	C9H11N3O2S2	257.029267	NA	MeJP	NA	NA
+MJ016926	Pifexole 	C13H8ClN3O	257.035589	NA	MeJP	NA	NA
+MJ016927	4-(2-Aminoethyl)-2-bromophenol; N-Tri-Me 	C11H17BrNO(+)	257.041526	NA	MeJP	NA	NA
+MJ016928	1-Amino-2,3-dihydro-5-phosphono-1H-indene-1-carboxylic acid 	C10H12NO5P	257.045309	NA	MeJP	NA	NA
+JH154	Pantothenic acid [M+K]+	NA	257.0609	6.63	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH154	Pantothenic acid [M+K]+	NA	257.0609	6.63	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH154	Pantothenic acid [M+K]+	NA	257.0609	6.63	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH154	Pantothenic acid [M+K]+	NA	257.0609	6.63	Inhousejuil11	NA	NA
+MJ016929	Antibiotic SF 2738D 	C13H11N3OS	257.062282	NA	MeJP	NA	NA
+MJ016930	Timoprazole 	C13H11N3OS	257.062282	NA	MeJP	NA	NA
+C11087	Orbencarb	C12H16ClNOS	257.0641	NA	KEGG	NA	NA
+C14428	Thiobencarb	C12H16ClNOS	257.0641	NA	KEGG	NA	NA
+CJpos0646	Pantothenic acid [(M+K)]+	C9H17KNO5	257.065975	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0646	Pantothenic acid [(M+K)]+	C9H17KNO5	257.065975	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C04207	N-Benzoyl-4-hydroxyanthranilate	C14H11NO4	257.0688	NA	KEGG	NA	NA
+MJ016931	1,2,4-Trimethoxy-3H-phenoxazin-3-one; 4-Demethoxy 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016932	1,3,5-Trihydroxyacridone; N-Me 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016933	1,3,8-Trihydroxyacridone; N-Me 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016934	1,3,8-Trihydroxyacridone; O3-Me 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016935	1,6,7-Trihydroxy-9H-carbazole-3-carboxaldehyde; 6-Me ether 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016936	1,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; Carboxylic acid, Me ester 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016937	2-Benzamidobenzoic acid; 2'-Hydroxy 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016938	2-Benzamidobenzoic acid; 4-Hydroxy 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016939	4-Amino-2-hydroxybenzoic acid; N-Benzoyl 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016940	7,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8-Me ether 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016941	Clausenaquinone A 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016942	Griffithazanone A 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MJ016943	Michigazone; 4-Demethoxy 	C14H11NO4	257.068807	NA	MeJP	NA	NA
+MetaCyc02312	N-benzoyl-4-hydroxyanthranilate []	C14H11N1O4	257.068808	NA	metacyc	NA	NA
+MJ016944	Etebenecid 	C11H15NO4S	257.072178	NA	MeJP	NA	NA
+C15279	2-Amino-6-(benzylthio)purine	C12H11N5S	257.0735	NA	KEGG	NA	NA
+MJ016945	3-Amino-N-(aminoiminomethyl)-6-chloro-5-(dimethylamino)pyrazinecarboxamide 	C8H12ClN7O	257.079185	NA	MeJP	NA	NA
+C13753	6-Chloro-3,5-diaminopyrazine-3-carboxamide	C8H12ClN7O	257.0792	NA	KEGG	NA	NA
+C13754	Transferred to D02135	C8H12ClN7O	257.0792	NA	KEGG	NA	NA
+C13755	Transferred to D02136	C8H12ClN7O	257.0792	NA	KEGG	NA	NA
+MJ016946	Tezacitabine 	C10H12FN3O4	257.081184	NA	MeJP	NA	NA
+MJ016947	Meclofenoxate 	C12H16ClNO3	257.081871	NA	MeJP	NA	NA
+C08195	Meclofenoxate	C12H16ClNO3	257.0819	NA	KEGG	NA	NA
+C08196	Transferred to D00994	C12H16ClNO3	257.0819	NA	KEGG	NA	NA
+C13534	Hydrocotarnine hydrochloride	C12H15NO3	257.0819	NA	KEGG	NA	NA
+C13535	Transferred to D02032	C12H15NO3	257.0819	NA	KEGG	NA	NA
+C13536	Transferred to D02033	C12H15NO3	257.0819	NA	KEGG	NA	NA
+C13537	Transferred to D02034	C12H15NO3	257.0819	NA	KEGG	NA	NA
+C13538	Transferred to D02035	C12H15NO3	257.0819	NA	KEGG	NA	NA
+C13539	Transferred to D02036	C12H15NO3	257.0819	NA	KEGG	NA	NA
+CJneg0472	Pantothenic acid [(M+Cl)]- (37Cl)	C9H17Cl037ClNO5	257.084925	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0472	Pantothenic acid [(M+Cl)]- (37Cl)	C9H17Cl037ClNO5	257.084925	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ016948	Nicotinate D-ribonucleoside 	C11H15NO6	257.089937	NA	MeJP	NA	NA
+MJ016949	1H-Pyrrole-2-carboxylic acid; ?-L-Rhamnopyranosyl ester 	C11H15NO6	257.089937	NA	MeJP	NA	NA
+MJ016950	Dioxolamycin 	C11H15NO6	257.089937	NA	MeJP	NA	NA
+HMDB00982	5-Methylcytidine	C10H15N3O5	257.101166	NA	HMDB2010	NA	NA
+HMDB00982	5-Methylcytidine	C10H15N3O5	257.10117	http://www.hmdb.ca/metabolites/HMDB00982	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00982	5-Methylcytidine	C10H15N3O5	257.10117	http://www.hmdb.ca/metabolites/HMDB00982	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00982	5-Methylcytidine	C10H15N3O5	257.10117	http://www.hmdb.ca/metabolites/HMDB00982	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00982	5-Methylcytidine	C10H15N3O5	257.10117	http://www.hmdb.ca/metabolites/HMDB00982	HMDB	NA	NA
+MJ016951	5(4H)-Isoxazolone; 2H-Oxo-form, N-(?-Glutaminylaminoethyl) 	C10H15N3O5	257.10117	NA	MeJP	NA	NA
+MJ016952	5-Methylcytidine 	C10H15N3O5	257.10117	NA	MeJP	NA	NA
+MJ016953	Benserazide 	C10H15N3O5	257.10117	NA	MeJP	NA	NA
+MJ016954	Cytidine; 2'-Me 	C10H15N3O5	257.10117	NA	MeJP	NA	NA
+MJ016955	Cytidine; 3N-Me 	C10H15N3O5	257.10117	NA	MeJP	NA	NA
+MJ016956	Pyroglutaminylglutamine 	C10H15N3O5	257.10117	NA	MeJP	NA	NA
+HMDB00982	5-Methylcytidine	C10H15N3O5	257.10117	HMDB00982	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00086	Glycerophosphocholine	C8H20NO6P	257.10281	http://www.hmdb.ca/metabolites/HMDB00086	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00086	Glycerophosphocholine	C8H20NO6P	257.10281	http://www.hmdb.ca/metabolites/HMDB00086	HMDB	NA	NA
+HMDB00086	Glycerophosphocholine	C8H20NO6P	257.10281	NA  ;SYN:(2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoate; (2S)-2-Acetylamino-3-(4-hydroxyphenyl)propanoic acid; L-N-Acetyltyrosine; L-N-acetyl-Tyrosine; N-Acetyl-L-tyrosine; N-Acetyl-tyrosine; N-Acetyltyrosine; N-acetyl-4-hydroxyphenylalanineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00086	Glycerophosphocholine	C8H20NO6P	257.10281	http://www.hmdb.ca/metabolites/HMDB00086	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00086	Glycerophosphocholine	C8H20NO6P	257.10281	HMDB00086	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00086	Glycerophosphocholine	C8H20NO6P	257.102814	NA	HMDB2010	NA	NA
+MJ016957	Choline; Theophylline salt (1:1) 	C8H20NO6P	257.102823	NA	MeJP	NA	NA
+MJ016958	Glycerylphosphorylcholine 	C8H20NO6P	257.102823	NA	MeJP	NA	NA
+MJ016959	4-(2-Aminoethyl)phenol; N-(2-Hydroxybenzoyl) 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016960	Antibiotic TMC 120A; 2-Hydroxy 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016961	Carbazomycin G 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016962	Flindersine; 5-Methoxy 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016963	Flindersine; 6-Methoxy 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016964	Flindersine; 7-Methoxy 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016965	Flindersine; 8-Methoxy 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016966	Flindersine; N-Hydroxymethyl 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016967	Ismine 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016968	N-(4-Ethoxyphenyl)-2-hydroxybenzamide 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016969	Palasimide 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+MJ016970	Tolmetin 	C15H15NO3	257.105193	NA	MeJP	NA	NA
+C07149	Tolmetin	C15H15NO3	257.1052	NA	KEGG	NA	NA
+C07150	Transferred to D00381	C15H15NO3	257.1052	NA	KEGG	NA	NA
+C12181	Ismine	C15H15NO3	257.1052	NA	KEGG	NA	NA
+MJ016971	9-(2-Fluorobenzyl)-6-methylamino-9H-purine 	C13H12FN5	257.107673	NA	MeJP	NA	NA
+MJ016972	Lemidosul 	C12H19NO3S	257.108564	NA	MeJP	NA	NA
+HMDB00942	Tetrahydroneopterin	C9H15N5O4	257.112396	NA	HMDB2010	NA	NA
+HMDB02281	4a-Hydroxytetrahydrobiopterin	C9H15N5O4	257.112396	NA	HMDB2010	NA	NA
+HMDB00942	Tetrahydroneopterin	C9H15N5O4	257.1124	http://www.hmdb.ca/metabolites/HMDB00942	HMDB	NA	NA
+HMDB02281	4a-peroxy-tetrahydrobiopterin	C9H15N5O4	257.1124	http://www.hmdb.ca/metabolites/HMDB02281	HMDB	NA	NA
+C15522	4a-Hydroxytetrahydrobiopterin	C9H15N5O4	257.1124	NA	KEGG	NA	NA
+HMDB00942	Tetrahydroneopterin	C9H15N5O4	257.1124	HMDB00942	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02281	4a-peroxy-tetrahydrobiopterin	C9H15N5O4	257.1124	HMDB02281	PFEM_hmdb_metabocards_official	NA	NA
+MJ016973	2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone, 5,6R,7,8-Tetrahydro 	C9H15N5O4	257.112403	NA	MeJP	NA	NA
+MetaCyc02313	4&alpha;-hydroxy-tetrahydrobiopterin [4&alpha;-hydroxy-5,6,7,8-tetrahydrobiopterin;4&alpha;-hydroxy-tetrahydropterin;6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4&alpha;-hydroxypterin;]	C9H15N5O4	257.112404	NA	metacyc	NA	NA
+MJ016974	Antibiotic NP 522 	C14H15N3O2	257.116426	NA	MeJP	NA	NA
+MJ016975	Cyclo(alanyltryptophyl) 	C14H15N3O2	257.116426	NA	MeJP	NA	NA
+MJ016976	Indolidan 	C14H15N3O2	257.116426	NA	MeJP	NA	NA
+MJ016977	Indolmycin 	C14H15N3O2	257.116426	NA	MeJP	NA	NA
+MetaCyc02314	indolmycin [indolemycin;PA155A;]	C14H15N3O2	257.116427	NA	metacyc	NA	NA
+MJ016978	Carmofur 	C11H16FN3O3	257.117569	NA	MeJP	NA	NA
+MJ016979	Fenisorex 	C16H16FNO	257.121592	NA	MeJP	NA	NA
+3375	ACE inhibitor	AAP	257.126	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000106	AAP 	C11H19N3O4	257.1376	NA	PeJP	NA	NA
+MJ016980	8-Azabicyclo[3.2.1]octan-3-ol, O-Cinnamoyl (E-) 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016981	Apoatropine; N-De-Me 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016982	Atanine; N-Me 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016983	Cocculine; O-De-Me 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016984	Coumaperine 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016985	Dehydrojoubertiamine 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016986	Elaeocarpine 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+MJ016987	Medifoxamine 	C16H19NO2	257.141578	NA	MeJP	NA	NA
+C10591	(+)-Elaeocarpine	C16H19NO2	257.1416	NA	KEGG	NA	NA
+C12243	(+/-)-gamma-Lycorane	C16H19NO2	257.1416	NA	KEGG	NA	NA
+MJ016988	8-Methyl-3-(4-methyl-1-piperazinyl)-2(1H)-quinolinone 	C15H19N3O	257.152812	NA	MeJP	NA	NA
+5476	antimicrobial peptide from cathepsin G (human)	IIGGR	257.1555	MH2+	Inhouse_peptide	NA	peptide
+HMDB13161	2-Hexenoylcarnitine	C13H23NO4	257.16272	NA	HMDB2010	NA	NA
+MJ016989	Antibiotic TAN 1054; Antibiotic TAN 1054A 	C12H23N3O3	257.173941	NA	MeJP	NA	NA
+MJ016990	Antibiotic TAN 1054; Antibiotic TAN 1054B 	C12H23N3O3	257.173941	NA	MeJP	NA	NA
+MJ016991	12-(3-Pyridinyl)-4,6,11-dodecatrien-2-ol 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016992	12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016993	12-(3-Pyridinyl)-5,8,10-dodecatrien-2-ol 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016994	17-Methylmorphinan-3-ol 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016995	2,4-Dodecadiene-8,10-diynoic acid, 2-Methylbutylamide 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016996	2,7-Tridecadiene-10,12-diynoic acid, 2-Methylpropylamide 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016997	2-(2-Heptenyl)-3-methyl-4(1H)-quinolinone, 2',3'-Dihydro 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016998	2-Allyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ016999	2-Heptyl-4-hydroxyquinoline; NH-form, N-Me 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ017000	2-Heptyl-4-hydroxyquinoline; OH-form, Me ether 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ017001	Darlingianine 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ017002	Montiporyne E 	C17H23NO	257.177964	NA	MeJP	NA	NA
+MJ017003	Pirandamine 	C17H23NO	257.177964	NA	MeJP	NA	NA
+C08014	Levorphanol	C17H23NO	257.178	NA	KEGG	NA	NA
+C08015	Transferred to D00841	C17H23NO	257.178	NA	KEGG	NA	NA
+C08017	Transferred to D00843	C17H23NO	257.178	NA	KEGG	NA	NA
+MJ017004	4,5-Dihydroxy-2-decenoic acid, (2-Methylpropyl)amide 	C14H27NO3	257.199093	NA	MeJP	NA	NA
+MJ017005	9-Tetradecen-1-ol, Nitrate 	C14H27NO3	257.199093	NA	MeJP	NA	NA
+MJ017006	2-(2-Hydroxybutyl)-6-(2-hydroxypentyl)-1-methylpiperidine 	C15H31NO2	257.235479	NA	MeJP	NA	NA
+MJ017007	Andrachamine 	C15H31NO2	257.235479	NA	MeJP	NA	NA
+C11091	Hexachloro-1,3-butadiene	C4Cl6	257.8131	NA	KEGG	NA	NA
+MJ017008	Kaolinite 	Al2H4O9Si2	257.902461	NA	MeJP	NA	NA
+HMDB12282	PPPi	H5O10P3	257.909546	NA	HMDB2010	NA	NA
+MJ017009	Trimetaphosphate 	H5O10P3	257.909555	NA	MeJP	NA	NA
+MJ017010	Triphosphate 	H5O10P3	257.909555	NA	MeJP	NA	NA
+MetaCyc02315	PPPi [Inorganic triphosphate;tripolyphosphate;triphosphate;inorganic open chain tripolyphosphate;P3,i;]	H5O10P3	257.909556	7758-29-4	metacyc	NA	NA
+C00536	Triphosphate	P3H5O10	257.9096	NA	KEGG	NA	NA
+C00538	2-Oxoaldehyde	C2HO2R	257.9096	NA	KEGG	NA	NA
+MJ017011	Gallium citrate 	C6H5GaO7	257.929108	NA	MeJP	NA	NA
+MJ017012	4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-Methyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane 	C7H14S5	257.969903	NA	MeJP	NA	NA
+MJ017013	2-(1-Iodoethyl)-1,3-dioxolane-4-methanol 	C6H11IO3	257.975287	NA	MeJP	NA	NA
+MJ017014	3-[5-[3-(3-Oxo-2-thiatenylidene)-1-propynyl]-2-thienyl]-2-propynal 	C13H6O2S2	257.98092	NA	MeJP	NA	NA
+MJ017015	6-Ethoxy-2-benzothiazolesulfonamide 	C9H10N2O3S2	258.013283	NA	MeJP	NA	NA
+MJ017016	D-Glucono-1,5-lactone 6-phosphate 	C6H11O9P	258.014068	NA	MeJP	NA	NA
+MJ017017	2-Dehydro-3-deoxy-6-phospho-D-gluconate 	C6H11O9P	258.014068	NA	MeJP	NA	NA
+MJ017018	2-Dehydro-3-deoxy-D-galactonate 6-phosphate 	C6H11O9P	258.014068	NA	MeJP	NA	NA
+MJ017019	2-Deoxy-5-keto-D-gluconic acid 6-phosphate 	C6H11O9P	258.014068	NA	MeJP	NA	NA
+MetaCyc02316	2-dehydro-3-deoxy-D-galactonate-6-phosphate [2-keto-3-deoxy-D-galactonate-6-phosphate;]	C6H11O9P1	258.014068	32120-43-7	metacyc	NA	NA
+MetaCyc02317	D-glucono-&delta;-lactone-6-phosphate [6-phosphogluconolactone;D-6-phosphoglucono-&delta;-lactone;D-6-P-glucono-&delta;-lactone;D-glucono-1,5-lactone-6-phosphate;6-phospho-D-glucono-1,5-lactone;D-6-phospho-glucono-&delta;-lactone;]	C6H11O9P1	258.014068	2641-81-8	metacyc	NA	NA
+MetaCyc02318	methanofuran biosynththesis intermediate MF2 []	C6H11O9P1	258.014068	NA	metacyc	NA	NA
+MetaCyc02319	5-dehydro-2-deoxy-D-gluconate 6-phosphate [6-phospho-5-dehydro-2-deoxy-D-gluconate;2-deoxy-5-keto-D-gluconate 6-phosphate;2-deoxy-5-keto-D-gluconic acid 6-phosphate;]	C6H11O9P1	258.014068	NA	metacyc	NA	NA
+MetaCyc02320	2-keto-3-deoxy-6-phospho-gluconate [2-dehydro-3-deoxy-D-gluconate-6-phosphate;2-dehydro-3-deoxy-6-phospho-D-gluconate;6-phospho-2-dehydro-3-deoxy-D-gluconate;2-keto-3-deoxy-6-phosphogluconate;2-keto-3-deoxy-6-P-gluconate;6-p-2-k-3-deo-gluconate;6-phospho-2-keto-3-deoxygluconate;6-phospho-2-dehydro-3-deoxygluconate;2-keto-3-deoxygluconate-6-P;]	C6H11O9P1	258.014068	27244-54-8	metacyc	NA	NA
+HMDB01127	6-Phosphonoglucono-D-lactone	C6H11O9P	258.014069	NA	HMDB2010	NA	NA
+HMDB01376	2-Keto-3-deoxy-6-phosphogluconic acid	C6H11O9P	258.014069	NA	HMDB2010	NA	NA
+HMDB01127	6-Phosphonoglucono-D-lactone	C6H11O9P	258.01407	http://www.hmdb.ca/metabolites/HMDB01127	HMDB	NA	NA
+HMDB01376	2-Keto-3-deoxy-6-phosphogluconic acid	C6H11O9P	258.01407	http://www.hmdb.ca/metabolites/HMDB01376	HMDB	NA	NA
+HMDB01127	6-Phosphonoglucono-D-lactone	C6H11O9P	258.01407	HMDB01127	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01376	2-Keto-3-deoxy-6-phosphogluconic acid	C6H11O9P	258.01407	HMDB01376	PFEM_hmdb_metabocards_official	NA	NA
+C01236	D-Glucono-1,5-lactone 6-phosphate	C6H11O9P	258.0141	NA	KEGG	NA	NA
+C01237	Enoyl-[acyl-carrier protein]	C6H11O9P	258.0141	NA	KEGG	NA	NA
+C01286	2-Dehydro-3-deoxy-D-galactonate 6-phosphate	C6H11O9P	258.0141	NA	KEGG	NA	NA
+C01288	N-Acetyl-D-glucosaminylphosphatidylinositol	C19H30NO18PR2	258.0141	NA	KEGG	NA	NA
+C04442	2-Dehydro-3-deoxy-6-phospho-D-gluconate	C6H11O9P	258.0141	NA	KEGG	NA	NA
+C04456	6-Phospho-5-dehydro-2-deoxy-D-gluconate	C6H11O9P	258.0141	NA	KEGG	NA	NA
+C04457	D-Alanyl-alanyl-poly(glycerolphosphate)	H2O	258.0141	NA	KEGG	NA	NA
+C06893	2-Deoxy-5-keto-D-gluconic acid 6-phosphate	C6H11O9P	258.0141	NA	KEGG	NA	NA
+MJ017020	3-Formyl-2,4-dihydroxy-6-methylbenzoic acid; 5-Chloro, Et ester 	C11H11ClO5	258.029501	NA	MeJP	NA	NA
+MJ017021	Lofexidine 	C11H12Cl2N2O	258.032668	NA	MeJP	NA	NA
+MJ017022	1,4:6,3-Glucarodilactone, Di-Ac 	C10H10O8	258.037567	NA	MeJP	NA	NA
+MJ017023	1-Chloro-3-tridecene-5,7,9,11-tetrayn-2-ol, Ac 	C15H11ClO2	258.044757	NA	MeJP	NA	NA
+MJ017024	2-Chloro-3-tridecene-5,7,9,11-tetrayn-1-ol, Ac 	C15H11ClO2	258.044757	NA	MeJP	NA	NA
+MJ017025	Cloridarol 	C15H11ClO2	258.044757	NA	MeJP	NA	NA
+C10066	Gentisin	C14H10O5	258.0528	NA	KEGG	NA	NA
+C10070	Isogentisin	C14H10O5	258.0528	NA	KEGG	NA	NA
+C10081	Mesuaxanthone A	C14H10O5	258.0528	NA	KEGG	NA	NA
+C10087	Norlichexanthone	C14H10O5	258.0528	NA	KEGG	NA	NA
+C10362	Kigelinone	C14H10O5	258.0528	NA	KEGG	NA	NA
+C16838	Alternariol	C14H10O5	258.0528	NA	KEGG	NA	NA
+C17671	Norrubrofusarin	C14H10O5	258.0528	NA	KEGG	NA	NA
+MJ017026	1,2,3-Trihydroxyxanthone; 1-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017027	1,2,3-Trihydroxyxanthone; 2-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017028	1,2,5,7-Tetrahydroxy-9H-fluoren-9-one; 7-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017029	1,2,5-Trihydroxyxanthone; 1-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017030	1,2,5-Trihydroxyxanthone; 2-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017031	1,2,7-Trihydroxyxanthone; 1-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017032	1,2,8-Trihydroxyxanthone; 1-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017033	1,3,5-Trihydroxyxanthone; 1-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017034	1,3,5-Trihydroxyxanthone; 3-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017035	1,3,6-Trihydroxy-8-methylxanthone 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017036	1,3,7-Trihydroxyxanthone; 3-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017037	1,3,7-Trihydroxyxanthone; 7-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017038	1,3,8-Trihydroxyxanthone; 3-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017039	1,4,7-Trihydroxyxanthone; 4-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017040	1,4,8-Trihydroxy-3-methylxanthone 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017041	1,4,8-Trihydroxyxanthone; 1-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017042	1,5,6-Trihydroxyxanthone; 5-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017043	1,5,6-Trihydroxyxanthone; 6-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017044	1,5,8-Trihydroxy-3-methylxanthone 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017045	1,6,7-Trihydroxyxanthone; 6-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017046	1,6,7-Trihydroxyxanthone; 7-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017047	2,3,4-Trihydroxyxanthone; 2-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017048	2,3,6-Trihydroxyxanthone; 2-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017049	2,3,7-Trihydroxyxanthone; 3-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017050	2,7-Dihydroxy-9-methyl-4-dibenzofurancarboxylic acid 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017051	2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017052	2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017053	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 1'?-Alcohol 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017054	3,4,5-Trihydroxyxanthone; 3-Me ether 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017055	4,8,10-Trihydroxy-5-methyl-2H-naphtho[1,2-b]pyran-2-one 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017056	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017057	5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 8-Hydroxy, 9-oxo, 5-Me ether or 8-methoxy, 9-oxo 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017058	Alternariol 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017059	Anhydrofusarubin; 6-Deoxy, O-de-Me 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017060	Hydroxycyperaquinone 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017061	Kigelinone 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017062	Ptaeroxylone 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017063	Salicyloylsalicylic acid 	C14H10O5	258.052823	NA	MeJP	NA	NA
+MJ017064	Fopirtoline 	C11H15ClN2OS	258.059361	NA	MeJP	NA	NA
+C03177	Streptamine phosphate	C6H15N2O7P	258.0617	NA	KEGG	NA	NA
+C03433	Streptamine 4-phosphate	C6H15N2O7P	258.0617	NA	KEGG	NA	NA
+MJ017065	1,6-Phenazinediol; Mono-Me ether, 5,10-dioxide 	C13H10N2O4	258.064056	NA	MeJP	NA	NA
+MJ017066	2-Phthalimidoglutarimide 	C13H10N2O4	258.064056	NA	MeJP	NA	NA
+MJ017067	Sarubicin B 	C13H10N2O4	258.064056	NA	MeJP	NA	NA
+C07910	Thalidomide	C13H10N2O4	258.0641	NA	KEGG	NA	NA
+C17369	Northienamycin	C10H14N2O4S	258.0674	NA	KEGG	NA	NA
+MJ017068	Northienamycin 	C10H14N2O4S	258.067427	NA	MeJP	NA	NA
+CJpos0647	Pantothenic acid [(M+K)]+ (13C)	C813CH17KNO5	258.069375	C18rt(min)=4.77 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0647	Pantothenic acid [(M+K)]+ (13C)	C813CH17KNO5	258.069375	C18rt(min)=4.77 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ017069	Posoquenin 	C11H14O7	258.073952	NA	MeJP	NA	NA
+MJ017070	Sulnidazole 	C9H14N4O3S	258.078661	NA	MeJP	NA	NA
+PJ000107	CH 	C9H14N4O3S	258.0787	NA	PeJP	NA	NA
+MJ017071	Arnoamine A 	C17H10N2O	258.079312	NA	MeJP	NA	NA
+CJpos0648	Oxoproline [(2M+H)]+	C10H15N2O6	258.084675	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0648	Oxoproline [(2M+H)]+	C10H15N2O6	258.084675	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00884	Ribothymidine	C10H14N2O6	258.085175	NA	HMDB2010	NA	NA
+HMDB02331	Imidazoleacetic acid riboside	C10H14N2O6	258.085175	NA	HMDB2010	NA	NA
+HMDB04813	3-Methyluridine	C10H14N2O6	258.085175	NA	HMDB2010	NA	NA
+MJ017072	1-Arabinofuranosylthymine; ?-D-form 	C10H14N2O6	258.085186	NA	MeJP	NA	NA
+MJ017073	Pseudouridine C; 1-Me 	C10H14N2O6	258.085186	NA	MeJP	NA	NA
+MJ017074	Pseudouridine C; 3-Me 	C10H14N2O6	258.085186	NA	MeJP	NA	NA
+MJ017075	Uridine; 2'-Me 	C10H14N2O6	258.085186	NA	MeJP	NA	NA
+MJ017076	Uridine; N-Me 	C10H14N2O6	258.085186	NA	MeJP	NA	NA
+MJ017077	(1-Ribosylimidazole)-4-acetate 	C10H14N2O6	258.085186	NA	MeJP	NA	NA
+C05131	(1-Ribosylimidazole)-4-acetate	C10H14N2O6	258.0852	NA	KEGG	NA	NA
+C16744	Spongothymidine	C10H14N2O6	258.0852	NA	KEGG	NA	NA
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB00884	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04813	3-Methyluridine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB04813	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB00884	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB00884	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04813	3-Methyluridine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB04813	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB00884	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04813	3-Methyluridine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB04813	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB00884	HMDB	NA	NA
+HMDB02331	Imidazoleacetic acid riboside	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB02331	HMDB	NA	NA
+HMDB04813	3-Methyluridine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB04813	HMDB	NA	NA
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	http://www.hmdb.ca/metabolites/HMDB00884	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00884	Ribothymidine	C10H14N2O6	258.08521	HMDB00884	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02331	Imidazoleacetic acid riboside	C10H14N2O6	258.08521	HMDB02331	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04813	3-Methyluridine	C10H14N2O6	258.08521	HMDB04813	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	http://www.hmdb.ca/metabolites/HMDB04629	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	http://www.hmdb.ca/metabolites/HMDB04629	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	http://www.hmdb.ca/metabolites/HMDB04629	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	http://www.hmdb.ca/metabolites/HMDB04629	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	http://www.hmdb.ca/metabolites/HMDB04629	HMDB	NA	NA
+C08465	Wyerone	C15H14O4	258.0892	NA	KEGG	NA	NA
+C09273	Luvangetin	C15H14O4	258.0892	NA	KEGG	NA	NA
+C09283	Peucedanin	C15H14O4	258.0892	NA	KEGG	NA	NA
+C09618	Davidigenin	C15H14O4	258.0892	NA	KEGG	NA	NA
+C09980	Yangonin	C15H14O4	258.0892	NA	KEGG	NA	NA
+C10268	Lunularic acid	C15H14O4	258.0892	NA	KEGG	NA	NA
+C10352	Hibiscoquinone A	C15H14O4	258.0892	NA	KEGG	NA	NA
+C13633	2,2-Bis(4-hydroxyphenyl)-propanoic acid	C15H14O4	258.0892	NA	KEGG	NA	NA
+C14115	Naphthyl-2-methyl-succinic acid	C15H14O4	258.0892	NA	KEGG	NA	NA
+C16929	Catalpalactone	C15H14O4	258.0892	NA	KEGG	NA	NA
+FL1D1ANS0001	Davidigenin	C15H14O4	258.0892	23130-26-9	knapsack	NA	NA
+FL1DA9NS0001	2',4',6'-Trihydroxydihydrochalcone;3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone	C15H14O4	258.0892	1088-08-0	knapsack	NA	NA
+FL1DRTNS0007	2,4,4'-Trihydroxydihydrochalcone	C15H14O4	258.0892	15097-74-2	knapsack	NA	NA
+FL631ANS0001	Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol	C15H14O4	258.0892	251909-54-3	knapsack	NA	NA
+FL63A9NS0001	Epidistenin	C15H14O4	258.0892	120693-54-1	knapsack	NA	NA
+FL6FAANS0001	Apigeniflavan	C15H14O4	258.0892	530-82-5	knapsack	NA	NA
+FLIC1LNS0004	Demethylvestitol;7,2',4'-Trihydroxyisoflavan	C15H14O4	258.0892	65332-45-8	knapsack	NA	NA
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	http://www.hmdb.ca/metabolites/HMDB04629	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.0892	HMDB04629	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04629	O-Desmethylangolensin	C15H14O4	258.089203	NA	HMDB2010	NA	NA
+MJ017078	1(10),3-Guaiadiene-12,6:14,2-diolide, 11,13-Didehydro 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017079	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017080	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017081	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017082	1-(3-Hydroxyphenyl)-2-(2,3,4-trihydroxyphenyl)ethylene; 2-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017083	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017084	2',4',7-Trihydroxyisoflavan 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017085	2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 4-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017086	2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 5-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017087	2,4,5,9-Phenanthrenetetrol; 9,10-Dihydro, 4-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017088	2,4,6-Trihydroxybenzophenone; 2,4-Di-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017089	2,5-Dihydroxy-3-prenylnaphthoquinone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017090	2,6-Dihydroxybenzoic acid; Mono-Me ether, benzyl ester 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017091	2,9-Dioxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017092	2-Methoxy-6-(2-phenylethenyl)-4H-1-pyran-4-one; 4'-Methoxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017093	2-Methyl-1,4-naphthalenediol; Di-Ac 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017094	3,4',7-Trihydroxyflavan 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017095	3,4,4'-Trihydroxyflavan 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017096	3,4-Dihydro-3,5,7-trihydroxy-9-methyl-1(2H)-anthracenone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017097	3,4-Dihydro-4,6,9-trihydroxy-8-methyl-1(2H)-anthracenone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017098	3,5,7-Trihydroxyflavan 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017099	3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017100	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017101	4',5,7-Trihydroxyflavan 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017102	4-Methoxy-?-oxo-1-naphthalenebutanoic acid 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017103	5-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017104	7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol, Ac 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017105	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-1,3-butadienyl)(E-) 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017106	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-1,3-butadienyl)(Z-) 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017107	9,10-Dihydro-2,3,4,5-tetrahydroxyphenanthrene; 4-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017108	9,10-Dihydro-2,4,5,9-tetrahydroxyphenanthrene; 4-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017109	Allopteroxylin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017110	Alloxanthoxyletin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017111	Aloesaponol II 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017112	Arnottinin; ?3',5'-Isomer, 1',2'-didehydro(E-), 7-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017113	Arnottinin; ?3',5'-Isomer, 1',2'-didehydro(Z-), 7-Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017114	Auraptenol, 2'-Ketone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017115	Azanzone B 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017116	Bothrioclinin; 7-Hydroxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017117	Braylin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017118	Cacalonol; 6-Hydroperoxide 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017119	Catalpalactone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017120	Citrubuntin; 1'S,2'S-Epoxide 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017121	Cochinolide 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017122	Dehydrogeijerin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017123	Drypemolundein A 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017124	Dunnione, 7-Hydroxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017125	Dunnione, 8-Hydroxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017126	Eleutherinol; 2,3-Dihydro 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017127	Emmotin D 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017128	Furacrinic acid 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017129	Gasteriacenone A 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017130	Germichrysone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017131	Goniothalamin, 5?-Acetoxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017132	Helicquinone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017133	Hibiscoquinone A 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017134	Lomatiol 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017135	Lunularic acid 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017136	Luvangetin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017137	Mansonone H 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017138	Mansonone I 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017139	Micropubescin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017140	Murralonginol; Aldehyde 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017141	Mycosinol; 4-Deoxy, 2,3-dihydro, 2-acetoxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017142	Ononetin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017143	Oroselol; Me ether 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017144	Peucedanin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017145	Phebalosin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017146	Piperolide 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017147	Prechrysophanol 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017148	Ptaeroxylin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017149	Pterophyllin 1; 3-Hydroxy(2R*,3S*-) 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017150	Ptilin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017151	Rhinacanthin A 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017152	Rutalpinin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017153	Spatheliachromene 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017154	Stenocarpone B 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017155	Stenocarpoquinone A 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017156	Streptocarpone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017157	Thespesone 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017158	Wyerone acid, Me ester 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017159	Xanthoxyletin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017160	Yangonin 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017161	?-Lapachone; 4S-Hydroxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017162	?-Lapachone; 9-Hydroxy 	C15H14O4	258.089208	NA	MeJP	NA	NA
+MJ017163	Acadesine 	C9H14N4O5	258.096419	NA	MeJP	NA	NA
+MJ017164	1-(2-Hydroxyethyl)-4-methoxy-?-carboline; 1'-Hydroxy 	C14H14N2O3	258.100442	NA	MeJP	NA	NA
+MJ017165	Pyridindolol 	C14H14N2O3	258.100442	NA	MeJP	NA	NA
+MJ017166	Metalol 	C11H18N2O3S	258.103813	NA	MeJP	NA	NA
+MJ017167	?-Methylbiotin 	C11H18N2O3S	258.103813	NA	MeJP	NA	NA
+MJ017168	3,4,5,6-Tetrahydroxy-1-cyclohexene-1-carboxaldehyde; 6-O-Pentanoyl 	C12H18O6	258.110338	NA	MeJP	NA	NA
+MJ017169	3-Hydroxy-4-hydroxymethyl-4-pentenoic acid; Et ester, di-Ac 	C12H18O6	258.110338	NA	MeJP	NA	NA
+MJ017170	Candidusin A; 4'-Me ether 	C12H18O6	258.110338	NA	MeJP	NA	NA
+MJ017171	Gardenate A 	C12H18O6	258.110338	NA	MeJP	NA	NA
+C00670	sn-glycero-3-Phosphocholine	C8H21NO6P	258.1106	NA	KEGG	NA	NA
+MetaCyc02321	Sn-3-glycerophosphocholine [Snglycero-3-phosphocholine;Sn-3-GPC;]	C8H21N1O6P1	258.110649	NA	metacyc	NA	NA
+MetaCyc02322	L-1-glycero-3-phosphocholine [glycero-phosphocholine;sn-glycero-3-phosphocholine;L-1-glycero-phosphorylcholine;glycerophosphocholine;]	C8H21N1O6P1	258.110649	NA	metacyc	NA	NA
+MJ017172	Prinoxodan 	C13H14N4O2	258.111675	NA	MeJP	NA	NA
+MJ017173	2-Amino-3-methylenepentanoic acid, N-?-Glutamyl 	C11H18N2O5	258.121571	NA	MeJP	NA	NA
+MJ017174	2-Piperidinecarboxylic acid, N-?-Glutamyl 	C11H18N2O5	258.121571	NA	MeJP	NA	NA
+MJ017175	Idrapril 	C11H18N2O5	258.121571	NA	MeJP	NA	NA
+MJ017176	Pyrosaccharopine 	C11H18N2O5	258.121571	NA	MeJP	NA	NA
+MJ017177	1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 3,4'-Di-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017178	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)propane; 2'-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017179	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)propane; 4'-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017180	1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3',4-Di-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017181	1-(3,4-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,3'-Di-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017182	1-(3,5-Dihydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2'-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017183	1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,3'-Di-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017184	3,4-Dihydro-1,3-dimethyl-1H-naphtho[2,3-c]pyran-7,9,10-triol, 7-Deoxy, 9-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017185	3-(1,1-Dimethyl-2-propenyl)-2-methoxy-5-methyl-4H-1-benzopyran-4-one 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017186	3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-2-propenoic acid; Alcohol, Ac 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017187	3-Hydroxy-8-isopropyl-7-methoxy-5-methyl-2-naphthaldehyde 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017188	4,6,12-Tetradecatriene-8,10-diyn-1-ol, 4,5-Epoxide, Ac 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017189	4,6,12-Tetradecatriene-8,10-diyne-1,3-diol, 1-Ac 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017190	4,6,12-Tetradecatriene-8,10-diyne-1,3-diol, 3-Ac 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017191	4-Methoxy-3-(3-methyl-2-butenyl)-5-phenyl-2(5H)-furanone 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017192	5-Ethyl-4-hydroxy-3-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017193	6-Tetradecene-8,10,12-triyne-1,5-diol, 1-Ac 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017194	8-Hydroxy-1(6),2,4,7(11)-cadinatetraen-12,8-olide; O8-Me 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017195	Deacetylshikonofuran A; 11-Deoxy 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017196	Deoxyhemigossypol; 9-Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017197	Elaeagin 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017198	Faramol; 7-Methoxy 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017199	Fenocinol 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017200	Heritonin 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017201	Mansonone G; Me ether 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017202	Mimosifolenone 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017203	Pelubiprofen 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017204	Strobilurin A 	C16H18O3	258.125594	NA	MeJP	NA	NA
+MJ017205	Tetrahydro-2-(1,7-nonadiene-3,5-diynyl)-2H-pyran-3-ol; Ac 	C16H18O3	258.125594	NA	MeJP	NA	NA
+C09936	Heritonin	C16H18O3	258.1256	NA	KEGG	NA	NA
+C10271	3'-O-Methylbatatasin III	C16H18O3	258.1256	NA	KEGG	NA	NA
+C18134	Dihydroechinofuran	C16H18O3	258.1256	NA	KEGG	NA	NA
+MJ017206	Polixetonium(1+); Dichloride 	C10H24Cl2N2O	258.126568	NA	MeJP	NA	NA
+MJ017207	Cyclo(leucylphenylalanyl), 1'',6-Didehydro(Z-) 	C15H18N2O2	258.136827	NA	MeJP	NA	NA
+MJ017208	Cyclo(leucylphenylalanyl), 1',3-Didehydro(Z-) 	C15H18N2O2	258.136827	NA	MeJP	NA	NA
+MJ017209	Huperzine A; 6?-Hydroxy 	C15H18N2O2	258.136827	NA	MeJP	NA	NA
+MJ017210	Propoxate 	C15H18N2O2	258.136827	NA	MeJP	NA	NA
+8078	synthetic peptide	RWR	258.1405	MH2+	Inhouse_peptide	NA	peptide
+MJ017211	Trimelamol 	C9H18N6O3	258.144038	NA	MeJP	NA	NA
+MJ017212	Lorbamate 	C12H22N2O4	258.157957	NA	MeJP	NA	NA
+MJ017213	Terramide A 	C12H22N2O4	258.157957	NA	MeJP	NA	NA
+MJ017214	Valinotricin 	C12H22N2O4	258.157957	NA	MeJP	NA	NA
+MJ017215	Zolertine 	C13H18N6	258.159294	NA	MeJP	NA	NA
+MJ017216	1,3,5,7,10-Bisabolapentaen-1-ol, Ac 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017217	1,8,10-Heptadecatriene-4,6-diyne-3,12-diol 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017218	1,8,16-Heptadecatriene-4,6-diyne-3,10-diol 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017219	1,9,16-Heptadecatriene-4,6-diyn-3-ol, 9,10-Epoxide 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017220	1,9,16-Heptadecatriene-4,6-diyne-3,8-diol 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017221	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 3-Ketone 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017222	1-Hydroxy-9,16-heptadecadiene-4,6-diyn-3-one 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017223	10-Hydroxy-2,8-heptadecadiene-4,6-diyn-1-al 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017224	15-Hydroxy-9,16-heptadecadiene-11,13-diyn-8-one 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017225	17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017226	17-Hydroxy-7,9-heptadecadiene-11,13-diyn-6-one 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017227	2,8,10-Heptadecatriene-4,6-diyne-1,14-diol 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017228	2,9,16-Heptadecatriene-4,6-diyn-8-ol, 9,10-Epoxide 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017229	2,9-Pentadecadiene-4,6-diyn-1-ol, Ac 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017230	2-(3,7-Dimethyl-2,6-octadienyl)-5-methyl-1,4-benzoquinone 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017231	2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, 1,4-Quinone 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017232	3,7-Dimethyl-2,6-octadien-1-ol, Benzoyl 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017233	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Aldehyde 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017234	5-Hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017235	6,8,12,14-Hexadecatetraen-10-ynoic acid, Me ester 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017236	6-Hydroxy-2,8-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017237	8,10,12-Heptadecatriene-4,6-diyne-1,14-diol 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017238	Cannabidiorcol 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017239	Cannabiorcol; 6aR,7,8,10aR-Tetrahydro 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017240	Flavidulol A 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017241	Flavidulol B 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017242	Laurene; 15-Acetoxy 	C17H22O2	258.161979	NA	MeJP	NA	NA
+MJ017243	Panaxydol; 3-Ketone 	C17H22O2	258.161979	NA	MeJP	NA	NA
+C08402	Cicutoxin	C17H22O2	258.162	NA	KEGG	NA	NA
+MJ017244	?-Obscurine; Natural-form, N-De-Me 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017245	Dihydrochanoclavine I 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017246	Isodihydrochanoclavine I 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017247	Lycodine; 11R-Hydroxy 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017248	N-Methyltryptamine; Nb-(3-Methylbutanoyl) 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017249	Nigerazine B 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017250	Pseudophrynaminol 	C16H22N2O	258.173213	NA	MeJP	NA	NA
+MJ017251	2-Chloro-2-pentadecenal 	C15H27ClO	258.175043	NA	MeJP	NA	NA
+C14253	Dibutyl adipate	C14H26O4	258.1831	NA	KEGG	NA	NA
+C14260	Diisobutyl adipate	C14H26O4	258.1831	NA	KEGG	NA	NA
+HMDB00872	Tetradecanedioic acid	C14H26O4	258.183105	NA	HMDB2010	NA	NA
+MJ017252	2-Propylpentanoic acid; (2,2-Dimethyl-1-oxopropoxy)methyl ester 	C14H26O4	258.183109	NA	MeJP	NA	NA
+MJ017253	3,5-Dihydroxy-7-tetradecenoic acid 	C14H26O4	258.183109	NA	MeJP	NA	NA
+MJ017254	6-Butyl-6-ethyl-4-ethylidene-1,2-dioxan-3-acetic acid; 4?,11-Dihydro 	C14H26O4	258.183109	NA	MeJP	NA	NA
+MJ017255	Dihydro-4-(hydroxymethyl)-3-(1-hydroxy-7-methyloctyl)-2(3H)-furanone 	C14H26O4	258.183109	NA	MeJP	NA	NA
+MJ017256	Tetrahydro-3,4-dihydroxy-6-nonyl-2H-pyran-2-one 	C14H26O4	258.183109	NA	MeJP	NA	NA
+MJ017257	Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one, 6'R-Hydroxy 	C14H26O4	258.183109	NA	MeJP	NA	NA
+MJ017258	Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one, 7'R-Hydroxy 	C14H26O4	258.183109	NA	MeJP	NA	NA
+HMDB00872	Tetradecanedioic acid	C14H26O4	258.18311	http://www.hmdb.ca/metabolites/HMDB00872	HMDB	NA	NA
+HMDB00872	Tetradecanedioic acid	C14H26O4	258.18311	HMDB00872	PFEM_hmdb_metabocards_official	NA	NA
+MJ017259	2,4-Diaminobutanoic acid, N2-(6-Methyloctanoyl) 	C13H26N2O3	258.194342	NA	MeJP	NA	NA
+MJ017260	1,6,9,12,15-Octadecapentaen-3-one 	C18H26O	258.198365	NA	MeJP	NA	NA
+MJ017261	4-(3,5-Dodecadienyl)phenol 	C18H26O	258.198365	NA	MeJP	NA	NA
+MJ017262	Xibornol 	C18H26O	258.198365	NA	MeJP	NA	NA
+MJ017263	1-Farnesene-3,7,11-triol 	C15H30O3	258.219494	NA	MeJP	NA	NA
+MJ017264	10-Hydroxytetradecanoic acid; Me ester 	C15H30O3	258.219494	NA	MeJP	NA	NA
+MJ017265	15-Hydroxypentadecanoic acid 	C15H30O3	258.219494	NA	MeJP	NA	NA
+MJ017266	2-Farnesene-1,7,11-triol 	C15H30O3	258.219494	NA	MeJP	NA	NA
+MJ017267	2-Hydroxypentadecanoic acid 	C15H30O3	258.219494	NA	MeJP	NA	NA
+MJ017268	3-Hydroxy-3,7,11-trimethyldodecanoic acid 	C15H30O3	258.219494	NA	MeJP	NA	NA
+MJ017269	Nitrosoxacin C 	C14H30N2O2	258.230728	NA	MeJP	NA	NA
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR504	Acide eicosapentaenoique 20 :5 F2	NA	258.233125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR504	Acide eicosapentaenoique 20 :5 F2	NA	258.233125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR504	Acide eicosapentaenoique 20 :5 F2	NA	258.233125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR504	Acide eicosapentaenoique 20 :5 F2	NA	258.233125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR504	Acide eicosapentaenoique 20 :5 F2	F2	258.233125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ017270	18-Nor-16-kaurene; ent-form 	C19H30	258.23475	NA	MeJP	NA	NA
+MJ017271	3,6,9,12,15-Nonadecapentaene 	C19H30	258.23475	NA	MeJP	NA	NA
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR497	8(9)-EET F4	NA	258.235925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR497	8(9)-EET F4	NA	258.235925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR497	8(9)-EET F4	NA	258.235925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR497	8(9)-EET F4	NA	258.235925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR497	8(9)-EET F4	F4	258.235925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ017272	1,16-Hexadecanediol 	C16H34O2	258.25588	NA	MeJP	NA	NA
+MJ017273	1,7-Hexadecanediol 	C16H34O2	258.25588	NA	MeJP	NA	NA
+C11733	Decamethonium	C16H38N2	258.3035	NA	KEGG	NA	NA
+EUR014	3-bromotyrosine	C9H10BrNO3	258.9844	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR014	3-bromotyrosine	C9H10BrNO3	258.9844	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR014	3-bromotyrosine	C9H10BrNO3	258.9844	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR014	3-bromotyrosine	C9H10BrNO3	258.9844	Wishlist	Inhousejuil11	NA	NA
+C17079	3-Bromo-tyrosine	C9H10BrNO3	258.9844	NA	KEGG	NA	NA
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	HMDB	NA	NA
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	Inhouse_PFEM	NA	NA
+MJ017274	2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid 	C9H10BrNO3	258.984405	NA	MeJP	NA	NA
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR014	3-bromotyrosine	C9H10BrNO3	258.984405	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05874	3-Bromotyrosine	C9H10BrNO3	258.984406	NA	HMDB2010	NA	NA
+MJ017275	Xanthopterin; 6-O-Sulfate 	C6H5N5O5S	259.001138	NA	MeJP	NA	NA
+MJ017276	Antibiotic SF 2103B 	C9H9NO6S	259.015057	NA	MeJP	NA	NA
+C10964	Benoxacor	C11H11Cl2NO2	259.0167	NA	KEGG	NA	NA
+C14207	M2	C11H11Cl2NO2	259.0167	NA	KEGG	NA	NA
+MetaCyc02323	D-myo-Inositol (1)-monophosphate [1D-myo-Inositol 1-phosphate;Ins(1)P1;1-D-myo-inositol-1-p;Ins(1)P;1D-myo-inositol (1)-monophosphate;Ins1P;]	C6H12O9P1	259.021893	NA	metacyc	NA	NA
+MetaCyc02324	D-myo-inositol (2) monophosphate [1D-myo-inositol (2) monophosphate;Ins(2)P1;Ins(2)P;Ins2P;]	C6H12O9P1	259.021893	NA	metacyc	NA	NA
+MetaCyc02325	D-myo-inositol (6)-monophosphate [Ins(6)P1;D-myo-inositol (6)-phosphate;Ins(6)P;Ins6P;1D-myo-inositol (6)-monophosphate;]	C6H12O9P1	259.021893	NA	metacyc	NA	NA
+MetaCyc02326	D-myo-inositol (5)-phosphate [1D-myo-inositol (5)-phosphate;Ins(5)P1;myo-inositol (5)-phosphate;Ins(5)P;Ins5P;]	C6H12O9P1	259.021893	NA	metacyc	NA	NA
+MetaCyc02327	D-myo-inositol (3)-monophosphate [1-L-myo-inositol-1-p;L-myo-inositol 1-phosphate;inositol 1-phosphate;myo-inositol 1-phosphate;1D-myo-inositol 3-phosphate;Ins(3)P1;1D-myo-inositol 3-monophosphate;myo-inositol 1-monophosphate;Ins3P;1L-myo-inositol 1-phosphate;myo-inositol phosphate;]	C6H12O9P1	259.021893	NA	metacyc	NA	NA
+MetaCyc02328	N-sulfo-D-glucosamine []	C6H13N1O8S1	259.036187	NA	metacyc	NA	NA
+HMDB00592	Glucosamine 6-sulfate	C6H13NO8S	259.03619	http://www.hmdb.ca/metabolites/HMDB00592	HMDB	NA	NA
+HMDB00592	Glucosamine 6-sulfate	C6H13NO8S	259.03619	HMDB00592	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00592	Glucosamine 6-sulfate	C6H13NO8S	259.036194	NA	HMDB2010	NA	NA
+HMDB01481	N-Sulfo-D-glucosamine	C6H13NO8S	259.036194	NA	HMDB2010	NA	NA
+C01075	N-Sulfo-D-glucosamine	C6H13NO8S	259.0362	NA	KEGG	NA	NA
+C01076	N-Terminal amino acid	C2H3NOR2	259.0362	NA	KEGG	NA	NA
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	PFEM_hmdb_metabocards_urine	NA	urine
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	1.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	1.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	1.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	HMDB	NA	NA
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	Inhouse_PFEM	NA	NA
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	1.21	Inhousejuil11	NA	NA
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	PFEM_hmdb_metabocards_blood	NA	blood
+JH175	Glucosamine 6-phosphate [M+H]+	C6H14NO8P	259.0454	Rtobs1.21	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01109	Glucosamine-1P	C6H14NO8P	259.04568	http://www.hmdb.ca/metabolites/HMDB01109	HMDB	NA	NA
+HMDB01254	Glucosamine 6-phosphate	C6H14NO8P	259.04568	http://www.hmdb.ca/metabolites/HMDB01254	HMDB	NA	NA
+HMDB01109	Glucosamine-1P	C6H14NO8P	259.04568	HMDB01109	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01254	Glucosamine 6-phosphate	C6H14NO8P	259.04568	HMDB01254	PFEM_hmdb_metabocards_official	NA	NA
+C00352	D-Glucosamine 6-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+C01283	1-Amino-1-deoxy-scyllo-inositol 4-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+C03783	D-Galactosamine 1-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+C06156	alpha-D-Glucosamine 1-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+C06157	[Dihydrolipoyllysine-residue succinyltransferase]	C13H22NO4S2R	259.0457	NA	KEGG	NA	NA
+C06377	D-Galactosamine 6-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+C06378	N-Acyl-D-amino acid	C3H3NO3R2	259.0457	NA	KEGG	NA	NA
+C06379	N-Acyl-D-glutamate	C6H8NO5R	259.0457	NA	KEGG	NA	NA
+C06380	N-Acyl-D-aspartate	C5H6NO5R	259.0457	NA	KEGG	NA	NA
+C12213	Kanosamine 6-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+C12214	Aminofructose 6-phosphate	C6H14NO8P	259.0457	NA	KEGG	NA	NA
+MJ017277	1-Amino-1-deoxy-scyllo-inositol 4-phosphate 	C6H14NO8P	259.045702	NA	MeJP	NA	NA
+MJ017278	D-Glucosamine 1-phosphate 	C6H14NO8P	259.045702	NA	MeJP	NA	NA
+MJ017279	D-Glucosamine 6-phosphate 	C6H14NO8P	259.045702	NA	MeJP	NA	NA
+MetaCyc02329	D-glucosamine 1-phosphate [glucosamine-1P;&alpha;-D-glucosamine 1P;&alpha;-D-glucosamine 1-phosphate;]	C6H14N1O8P1	259.045703	NA	metacyc	NA	NA
+MetaCyc02330	D-glucosamine-6-phosphate [D-glucosamine phosphate;D-glucosamine 6-phosphate;D-glucosamine-6-P;glucosamine-6-P;glucosamine-6-phosphate;]	C6H14N1O8P1	259.045703	3616-42-0	metacyc	NA	NA
+MetaCyc02331	D-galactosamine-6-phosphate []	C6H14N1O8P1	259.045703	NA	metacyc	NA	NA
+MetaCyc02332	1-amino-1-deoxy-scyllo-inositol 4-phosphate []	C6H14N1O8P1	259.045703	NA	metacyc	NA	NA
+HMDB01109	Glucosamine-1P	C6H14NO8P	259.045715	NA	HMDB2010	NA	NA
+HMDB01254	Glucosamine 6-phosphate	C6H14NO8P	259.045715	NA	HMDB2010	NA	NA
+MJ017280	Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, 6,7-Methylene, 4-Me ether 	C13H9NO5	259.048072	NA	MeJP	NA	NA
+MJ017281	Azintamide 	C10H14ClN3OS	259.05461	NA	MeJP	NA	NA
+C13048	p-Nitrophenyl-O-ethyl ethylphosphonate	C10H14NO5P	259.061	NA	KEGG	NA	NA
+C13049	Transferred to D01592	C10H14NO5P	259.061	NA	KEGG	NA	NA
+MJ017282	?-[(2-Amino-2-carboxyethyl)thio]-1H-imidazole-4-propanoic acid 	C9H13N3O4S	259.062676	NA	MeJP	NA	NA
+MJ017283	Azatepa 	C8H14N5OPS	259.065667	NA	MeJP	NA	NA
+MJ017284	Lissoclinotoxin C 	C11H17NO2S2	259.07007	NA	MeJP	NA	NA
+MJ017285	Bredinin 	C9H13N3O6	259.080435	NA	MeJP	NA	NA
+MJ017286	Pyrazomycin 	C9H13N3O6	259.080435	NA	MeJP	NA	NA
+MJ017287	10-Hydroxy-8-decene-2,4,6-triynoic acid, L-Alanyl methyl ester 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017288	4,5,6-Trimethoxyfuro[2,3-b]quinoline 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017289	Droxacin 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017290	Furo[2,3-b]quinoline-4,5,7-triol; NH-form, 5,7-Di-Me ether, N-Me 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017291	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, Tri-Me ether 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017292	Furo[2,3-b]quinoline-4,6,8-triol; NH-form, 6,8-Di-Me ether, N-Me 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017293	Furo[2,3-b]quinoline-4,6,8-triol; OH-form, Tri-Me ether 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017294	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, Tri-Me ether 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+MJ017295	Oxalinast 	C14H13NO4	259.084457	NA	MeJP	NA	NA
+C10701	Kokusaginine	C14H13NO4	259.0845	NA	KEGG	NA	NA
+C10716	Maculosidine	C14H13NO4	259.0845	NA	KEGG	NA	NA
+C10740	Skimmianine	C14H13NO4	259.0845	NA	KEGG	NA	NA
+CJpos0649	Oxoproline [(2M+H)]+ (13C)	C913CH15N2O6	259.087975	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0649	Oxoproline [(2M+H)]+ (13C)	C913CH15N2O6	259.087975	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ017296	Bemoradan 	C13H13N3O3	259.095691	NA	MeJP	NA	NA
+MJ017297	Caerulomycin; 3-Methoxy 	C13H13N3O3	259.095691	NA	MeJP	NA	NA
+MJ017298	Ciclobendazole 	C13H13N3O3	259.095691	NA	MeJP	NA	NA
+MJ017299	2-Hydroxy-3-methyl-3-butenoic acid, Nitrile, O-?-D-glucopyranoside 	C11H17NO6	259.105587	NA	MeJP	NA	NA
+MJ017300	2-Hydroxymethyl-2-butenenitrile, O-?-D-Glucopyranoside 	C11H17NO6	259.105587	NA	MeJP	NA	NA
+MJ017301	4-Hydroxy-2-methyl-2-butenoic acid, Nitrile, 4-O-?-D-glucopyranoside 	C11H17NO6	259.105587	NA	MeJP	NA	NA
+MJ017302	4-Hydroxy-3-methyl-2-butenoic acid, O-?-D-Glucopyranoside, nitrile 	C11H17NO6	259.105587	NA	MeJP	NA	NA
+MJ017303	Mycosporin-Ala 	C11H17NO6	259.105587	NA	MeJP	NA	NA
+HMDB13134	Fumarycarnitine	C11H17NO6	259.105591	NA	HMDB2010	NA	NA
+C08338	Proacacipetalin	C11H17NO6	259.1056	NA	KEGG	NA	NA
+3122	a1-chain of collagen fr,:434-438	KDGEA	259.11045	MH2+	Inhouse_peptide	NA	peptide
+MJ017304	Clobenzorex 	C16H18ClN	259.112777	NA	MeJP	NA	NA
+MJ017305	Dibenamine 	C16H18ClN	259.112777	NA	MeJP	NA	NA
+C05939	Linatine	C10H17N3O5	259.1168	NA	KEGG	NA	NA
+PJ000108	GSP 	C10H17N3O5	259.1168	NA	PeJP	NA	NA
+MJ017306	1-Amino-2-pyrrolidinecarboxylic acid, N-?-L-Glutamyl 	C10H17N3O5	259.11682	NA	MeJP	NA	NA
+MJ017307	Antibiotic SF 2448; Antibiotic SF 2448C 	C10H17N3O5	259.11682	NA	MeJP	NA	NA
+MJ017308	Linatine 	C10H17N3O5	259.11682	NA	MeJP	NA	NA
+C12253	Norsanguinine	C15H17NO3	259.1208	NA	KEGG	NA	NA
+C16701	Norbelladine	C15H17NO3	259.1208	NA	KEGG	NA	NA
+C16721	Platydesmine	C15H17NO3	259.1208	NA	KEGG	NA	NA
+C16722	Acceptor	NH2R	259.1208	NA	KEGG	NA	NA
+MJ017309	2,3,4,6-Tetrahydro-4-hydroxy-2,2,6-trimethyl-5H-pyrano[3,2-c]quinolin-5-one 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017310	4-Hydroxy-2-propylquinoline; NH-form, N-(Acetoxymethyl) 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017311	6-Methyl-2-oxo-4-[(phenylmethyl)amino]-3-cyclohexene-1-carboxylic acid 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017312	Ampullicin 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017313	Araliopsine 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017314	Geibalansine 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017315	Ilepcimide 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017316	Isoplatydesmine 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017317	Malatyamine 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017318	N-(3-Phenylpropanoyl)pyrrole; 3'',4''-Dimethoxy 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017319	N-[3-(3,4-Dimethoxyphenyl)propanoyl]pyrrole 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017320	Oligophyline; 6-Methoxy, N-de-Me, 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017321	Platydesmine 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017322	Ravesilone 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017323	Ribalinine 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017324	Sanguinine; N-De-Me 	C15H17NO3	259.120843	NA	MeJP	NA	NA
+MJ017325	Castanospermine; 6-Butanoyl 	C12H21NO5	259.141972	NA	MeJP	NA	NA
+3312	NA	LLHH	259.142	MH2+	Inhouse_peptide	NA	peptide
+3518	ACE inhibitor	VAA	259.142	ACE inhibitor	Inhouse_peptide	NA	peptide
+7831	ACE inhibitor	LQ	259.142	immunomodulating	Inhouse_peptide	NA	peptide
+PJ000109	LQ 	C11H21N3O4	259.1532	NA	PeJP	NA	NA
+C04284	2-Heptyl-4-hydroxyquinoline-N-oxide	C16H21NO2	259.1572	NA	KEGG	NA	NA
+C07407	Propranolol	C16H21NO2	259.1572	NA	KEGG	NA	NA
+C11193	R (+)-Propanolol	C16H21NO2	259.1572	NA	KEGG	NA	NA
+C11848	2-Heptyl-3-hydroxy-quinolone	C16H21NO2	259.1572	NA	KEGG	NA	NA
+HMDB01849	Propranolol	C16H21NO2	259.157227	NA	HMDB2010	NA	NA
+MJ017326	2-Heptyl-3-hydroxy-4(3H)-quinolinone 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017327	2-Heptyl-4-hydroxyquinoline; N-Oxide 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017328	2-Pentyl-4(1H)-quinolinone; NH-form, 8-Methoxy, N-Me 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017329	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(Phenylacetyl) 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017330	Elaeocarpiline 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017331	Fawcettidine; 8S-Hydroxy, 3,4-didehydro 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017332	Huperzine H 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017333	Joubertiamine 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017334	Propranolol 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017335	Pseudoepiisoelaeocarpiline 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017336	Sattazolin, Me ether 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+MJ017337	Troparil 	C16H21NO2	259.157228	NA	MeJP	NA	NA
+HMDB01849	Propranolol	C16H21NO2	259.15723	http://www.hmdb.ca/metabolites/HMDB01849	HMDB	NA	NA
+HMDB01849	Propranolol	C16H21NO2	259.15723	HMDB01849	PFEM_hmdb_metabocards_official	NA	NA
+MJ017338	1-[1-(Dimethylamino)ethyl]-3-propanoyl-1H-indole; Oxime 	C15H21N3O	259.168462	NA	MeJP	NA	NA
+MJ017339	Primaquine 	C15H21N3O	259.168462	NA	MeJP	NA	NA
+MJ017340	Quinocide 	C15H21N3O	259.168462	NA	MeJP	NA	NA
+C07627	Primaquine	C15H21N3O	259.1685	NA	KEGG	NA	NA
+CJpos0650	Hexanoylcarnitine [(M+H)]+	C13H26NO4	259.177775	C18rt(min)=6.65 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0651	Hexanoylcarnitine isomer [(M+H)]+	C13H26NO4	259.177775	C18rt(min)=6.23 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0652	Hexanoylcarnitine isomer [(M+H)]+	C13H26NO4	259.177775	C18rt(min)=6.35 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0650	Hexanoylcarnitine [(M+H)]+	C13H26NO4	259.177775	C18rt(min)=6.65 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0651	Hexanoylcarnitine isomer [(M+H)]+	C13H26NO4	259.177775	C18rt(min)=6.23 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0652	Hexanoylcarnitine isomer [(M+H)]+	C13H26NO4	259.177775	C18rt(min)=6.35 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+7693	ACE inhibitor from wakame	KL	259.178	antioxidative	Inhouse_peptide	NA	peptide
+8217	Antioxidative peptide	LK	259.178	Tripeptides  ;SYN:5-L-Glutamyl-L-cysteinylglycine; Agifutol S; Bakezyme RX; Copren; Deltathione; GSH; Glutathion; Glutathione; Glutathione red; Glutathione reduced; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; L-g-glutamyl-L-cysteinyl-glycine; L-gamma-glutamyl-L-cysteinyl-glycine; Isethion; L-Glutathione; L-Glutathione reduce; L-gamma-glutamyl-L-cysteinylglycine; L-glutamyl-L-cysteinylglycine; Ledac; Neuthion; Reduced glutathione; Tathion; Tathione; Triptide; gamma-Glutamylcysteinylglycine; gamma-L-Glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; red, glutathioneH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	HMDB	NA	NA
+HMDB00705	Hexanoylcarnitine	C13H25NO4	259.178345	NA	HMDB2010	NA	NA
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	259.178345	NA	HMDB2010	NA	NA
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	Inhouse_PFEM	NA	NA
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	Inhousejuil11	NA	NA
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER083	Hexanoyl-carnitine	NA	259.178345	RT 15.42 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00705	Hexanoylcarnitine	C13H25NO4	259.17835	Long chain acyl carnitines  ;SYN:H2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	259.17835	NA  ;SYN:His-R; N(Tau)-ribosylhistidineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	259.17838	http://www.hmdb.ca/metabolites/HMDB00756	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00705	Hexanoylcarnitine	C13H25NO4	259.17838	http://www.hmdb.ca/metabolites/HMDB00705	HMDB	NA	NA
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	259.17838	http://www.hmdb.ca/metabolites/HMDB00756	HMDB	NA	NA
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	259.17838	http://www.hmdb.ca/metabolites/HMDB00756	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00705	Hexanoylcarnitine	C13H25NO4	259.17838	HMDB00705	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00756	L-Hexanoylcarnitine	C13H25NO4	259.17838	HMDB00756	PFEM_hmdb_metabocards_official	NA	NA
+PARAC005	412 parent ?	NA	259.1848	RT6.9	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC005	412 parent ?	NA	259.1848	RT6.9	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC005	412 parent ?	NA	259.1848	RT6.9	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC005	412 parent ?	NA	259.1848	RT6.9	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC005	412 parent ?	NA	259.1848	RT6.9	HMDB	NA	NA
+PARAC005	412 parent ?	NA	259.1848	RT6.9	Inhouse_PFEM	NA	NA
+PARAC005	412 parent ?	NA	259.1848	RT6.9	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC005	412 parent ?	NA	259.1848	RT6.9	PFEM_hmdb_metabocards_official	NA	NA
+PJ000110	LK 	C12H25N3O3	259.1896	NA	PeJP	NA	NA
+MJ017341	12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol, 8,9-Dihydro 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017342	2-Dodecene-8,10-diynoic acid, 2-Methylbutylamide 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017343	7-Tridecene-10,12-diynoic acid, 2-Methylpropylamide 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017344	Darlingianine, 3,4-Dihydro 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017345	Eperisone 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017346	Histrionicotoxins; Histrionicotoxin 259 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017347	Vesamicol 	C17H25NO	259.193614	NA	MeJP	NA	NA
+MJ017348	5,6,7,8-Tetrahydro-2-nonylquinoline 	C18H29N	259.229999	NA	MeJP	NA	NA
+MJ017349	5-(1,3-Decadienyl)indolizidine; 5',6'-Didehydro 	C18H29N	259.229999	NA	MeJP	NA	NA
+MJ017350	Villatamine A 	C18H29N	259.229999	NA	MeJP	NA	NA
+C13832	4Z,7Z,10Z-Octadecatrienenitrile	C18H29N	259.23	NA	KEGG	NA	NA
+MJ017351	Homocaldopentamine 	C13H33N5	259.273596	NA	MeJP	NA	NA
+MJ017352	Thermopentamine 	C13H33N5	259.273596	NA	MeJP	NA	NA
+8296	ACE inhibitor	GVHHA	259.621	MH2+	Inhouse_peptide	NA	peptide
+2809	PEP inhibitor	PPPLP	259.646	MH2+	Inhouse_peptide	NA	peptide
+MJ017353	Tin(II) arsenate (Sn(HAsO4)) 	AsHO4Sn	259.811276	NA	MeJP	NA	NA
+MJ017354	1,4-Dibromo-3-chloro-3-buten-2-one 	C4H3Br2ClO	259.823917	NA	MeJP	NA	NA
+MJ017355	4,4-Dibromo-3-chloro-3-buten-2-one 	C4H3Br2ClO	259.823917	NA	MeJP	NA	NA
+MJ017356	Magnesium trisilicate 	Mg2O8Si3	259.86018	NA	MeJP	NA	NA
+MJ017357	3,4,5,6-Tetrachloro-1,2-benzenediol; Mono-Me ether 	C7H4Cl4O2	259.89654	NA	MeJP	NA	NA
+MJ017358	Bismuth chloride oxide (BiClO) 	BiClO	259.94415	NA	MeJP	NA	NA
+MJ017359	3-(2-Amino-3-chlorophenyl)-4-chloro-1H-pyrrole; 2-Chloro 	C10H7Cl3N2	259.967481	NA	MeJP	NA	NA
+MJ017360	Carbarsone 	C7H9AsN2O4	259.977828	NA	MeJP	NA	NA
+MJ017361	Trimorphamide 	C7H11Cl3N2O2	259.98861	NA	MeJP	NA	NA
+MJ017362	6-Bromo-1-methyl-?-carboline 	C12H9BrN2	259.99491	NA	MeJP	NA	NA
+HMDB00963	5-Methylthioribose 1-phosphate	C6H13O7PS	260.01196	http://www.hmdb.ca/metabolites/HMDB00963	HMDB	NA	NA
+HMDB01299	5-methylthioribulose 1-phosphate	C6H13O7PS	260.01196	http://www.hmdb.ca/metabolites/HMDB01299	HMDB	NA	NA
+MetaCyc02333	5-methylthioribose-1-phosphate [S5-methyl-5-thio-D-ribose-1-phosphate;5-methylthio-D-ribose-1-phosphate;5-MTR-1-P;1-phosphomethylthioribose;1-phospho-5-S-methylthioribose;1-PMTR;1-phospho-5-S-methylthio-&alpha;-D-ribofuranoside;S-methyl-5-thio-&alpha;-D-ribose 1-phosphate;S-methyl-5-thio-D-ribose 1-phosphate;]	C6H13O7P1S1	260.01196	NA	metacyc	NA	NA
+MetaCyc02334	5-methylthioribulose-1-phosphate [5-methylthio-5-deoxy-D-ribulose-1-phosphate;1-phosphomethylthioribulose;methylthioribulose-1-phosphate;MTRu-1-P;1PMT-ribulose;1-phospho-5-S-methylthioribulose;]	C6H13O7P1S1	260.01196	NA	metacyc	NA	NA
+HMDB00963	5-Methylthioribose 1-phosphate	C6H13O7PS	260.01196	HMDB00963	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01299	5-methylthioribulose 1-phosphate	C6H13O7PS	260.01196	HMDB01299	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00963	5-Methylthioribose 1-phosphate	C6H13O7PS	260.011963	NA	HMDB2010	NA	NA
+HMDB01299	5-Methylthioribulose 1-phosphate	C6H13O7PS	260.011963	NA	HMDB2010	NA	NA
+C04188	S-Methyl-5-thio-D-ribose 1-phosphate	C6H13O7PS	260.012	NA	KEGG	NA	NA
+C04582	S-Methyl-5-thio-D-ribulose 1-phosphate	C6H13O7PS	260.012	NA	KEGG	NA	NA
+C10911	Bromacil	C9H13BrN2O2	260.016	NA	KEGG	NA	NA
+MJ017363	Pyridostigmine(1+); Bromide 	C9H13BrN2O2	260.01604	NA	MeJP	NA	NA
+C01067	D-Galactose 6-sulfate	C6H12O9S	260.0202	NA	KEGG	NA	NA
+C02827	D-Glucose 6-sulfate	C6H12O9S	260.0202	NA	KEGG	NA	NA
+MJ017364	Galactose 6-sulfate 	C6H12O9S	260.020202	NA	MeJP	NA	NA
+MJ017365	D-Glucose 6-sulfate 	C6H12O9S	260.020202	NA	MeJP	NA	NA
+MetaCyc02335	D-glucose 6-sulfate []	C6H12O9S1	260.020203	NA	metacyc	NA	NA
+MJ017366	N5-Phosphomethionine sulfoximine 	C5H13N2O6PS	260.023193	NA	MeJP	NA	NA
+C07047	Ifosfamide	C7H15Cl2N2O2P	260.0248	NA	KEGG	NA	NA
+C07048	Transferred to D00344	C7H15Cl2N2O2P	260.0248	NA	KEGG	NA	NA
+C07888	Cyclophosphamide	C7H15Cl2N2O2P	260.0248	NA	KEGG	NA	NA
+MJ017367	Cyclophosphamide 	C7H15Cl2N2O2P	260.024819	NA	MeJP	NA	NA
+MJ017368	Ifosfamide 	C7H15Cl2N2O2P	260.024819	NA	MeJP	NA	NA
+C00085	D-Fructose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00092	D-Glucose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00103	D-Glucose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00275	D-Mannose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00446	alpha-D-Galactose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00636	D-Mannose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00663	beta-D-Glucose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C00668	alpha-D-Glucose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01002	Hexose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01003	Myosin light chain	C4H6N2O3R2	260.0297	NA	KEGG	NA	NA
+C01094	D-Fructose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01097	D-Tagatose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01113	D-Galactose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01171	alpha-D-Hexose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01172	beta-D-Glucose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C01177	Inositol 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C02888	Sorbose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C02962	D-Allose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C02965	D-Hexose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C02967	DNA 5-methylcytosine	C10H16N3O7P	260.0297	NA	KEGG	NA	NA
+C02976	Fructose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03251	Aldohexose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03252	Aliphatic hydroxy acid	C2H3O3R	260.0297	NA	KEGG	NA	NA
+C03253	Amino acid(Arg-, Lys-)	C2H3O3R	260.0297	NA	KEGG	NA	NA
+C03254	Aryl dialkyl phosphate	C6H5O4PR2	260.0297	NA	KEGG	NA	NA
+C03267	beta-D-Fructose 2-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03268	D-Mannosylglycoprotein	C6H11O6R	260.0297	NA	KEGG	NA	NA
+C03384	D-Galactose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03546	myo-Inositol 4-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03547	omega-Hydroxy fatty acid	H2CO3	260.0297	NA	KEGG	NA	NA
+C03606	D-Hamamelose 2(1)-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03607	Deoxynucleoside phosphate	C5H10O6PR	260.0297	NA	KEGG	NA	NA
+C03610	Fab fragment of human IgA	C5H10O6PR	260.0297	NA	KEGG	NA	NA
+C03611	Galactose oligosaccharide	C6H11O5R	260.0297	NA	KEGG	NA	NA
+C03613	Inactivated anaphylatoxin	C6H11O5R	260.0297	NA	KEGG	NA	NA
+C03654	(3S,4R)-Ketose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03735	alpha-D-Hexose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C03811	alpha-D-Glucose 3-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C04006	1D-myo-Inositol 3-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C05001	Fructose 1-phosphate(pyranose)	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C05345	beta-D-Fructose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C06019	D-arabino-Hex-3-ulose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C06020	Methylcorrinoid	C20H3CoN4R21	260.0297	NA	KEGG	NA	NA
+C06021	Corrinoid	C19CoN4R21	260.0297	NA	KEGG	NA	NA
+C06155	L-myo-Inositol 5-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C06312	L-Tagatose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C15924	L-Gulose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C15926	L-Galactose 1-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+C18096	D-Allulose 6-phosphate	C6H13O9P	260.0297	NA	KEGG	NA	NA
+MJ017369	1D-myo-Inositol 3-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017370	1L-myo-Inositol 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017371	3-Oxohexulose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017372	D-Fructose 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017373	D-Fructose 2-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017374	D-Fructose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017375	D-Galactose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017376	D-Glucose 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017377	D-Glucose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017378	D-Mannose 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017379	D-Mannose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017380	D-Tagatose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017381	Sorbose 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017382	alpha-D-Galactose 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017383	alpha-D-Glucose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017384	beta-D-Fructose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017385	beta-D-Glucose 1-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017386	beta-D-Glucose 6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017387	myo-Inositol 4-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017388	Fructose 6-dihydrogen phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017389	Galactose 1-dihydrogen phosphate; ?-D-Pyranose-form 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017390	Galactose 1-dihydrogen phosphate; ?-D-Pyranose-form 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017391	Glucose 1-dihydrogen phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MJ017392	Glucose-6-phosphate 	C6H13O9P	260.029718	NA	MeJP	NA	NA
+MetaCyc02336	L-tagatose-6-phosphate [L-tagatose 6-phosphate;]	C6H13O9P1	260.029719	136598-66-8	metacyc	NA	NA
+MetaCyc02337	D-hexose 6-phosphate []	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02338	D-hamamelose 2'-phosphate [[2,4,5-trihydroxy-3-(hydroxymethyl)tetrahydropyran-3-yl] oxyphosphonic acid;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02339	L-sorbose 1-phosphate [L-sorbose 1-P;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02340	&beta;-D-Glucose 1-phosphate []	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02341	hexulose 6-phosphate [H6P;D-arabino-3-hexulose 6-P;D-arabino-3-hexulose 6-phosphate;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02342	&alpha;-D-galactopyranose 1-phosphate [&alpha;-D-Gal-1-P;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02343	D-myo-inositol (4)-monophosphate [D-myo-inositol (4)-phosphate;1D-myo-inositol (4)-monophosphate;inositol 4-phosphate;1D-myo-inositol (4)-phosphate;Ins(4)P1;Ins(4)P;Ins4P;]	C6H13O9P1	260.029719	46495-39-0	metacyc	NA	NA
+MetaCyc02344	tagatose-6-phosphate [D-tagatose 6-phosphate;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02345	mannose-6-phosphate [D-mannose-6-phosphate;&alpha;-D-mannose-6-phosphate;&alpha;-D-mannose-6-P;]	C6H13O9P1	260.029719	3672-15-9	metacyc	NA	NA
+MetaCyc02346	&beta;-D-glucose-6-phosphate [D-glucose-6-P;glucose-6-P;glucose-6-phosphate;&beta;-D-glucose-6-P;D-glucose-6-phosphate;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02347	D-fructose-6-phosphate [fructose-6P;fructose-6-P;fruc6p;fru-6-P;fructose-6-phosphate;A-D-fructose-6-P;D-fructose-6-P;]	C6H13O9P1	260.029719	643-13-0	metacyc	NA	NA
+MetaCyc02348	fructose-1-phosphate [fructose-1-P;fructose-1-phosphate;D-fructose-1-phosphate;&beta;-D-fructose-1-P;&beta;-D-fructose-1-phosphate;]	C6H13O9P1	260.029719	15978-08-2	metacyc	NA	NA
+MetaCyc02349	D-allose-6-phosphate [D-allose-6-P;]	C6H13O9P1	260.029719	147-94-4	metacyc	NA	NA
+MetaCyc02350	&alpha;-D-glucose-6-phosphate [&alpha;-glucose-6-phosphate;&alpha;-D-glucose-6-P;]	C6H13O9P1	260.029719	56-73-5	metacyc	NA	NA
+MetaCyc02351	D-allulose-6-phosphate [Allulose 6-phosphate;D-allulose-6-P;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+MetaCyc02352	D-galactose 6-phosphate [6-phospho-D-galactose;]	C6H13O9P1	260.029719	32972-52-4	metacyc	NA	NA
+MetaCyc02353	&alpha;-D-mannose 1-phosphate [mannose-1-phosphate;D-mannose-1-phosphate;mannose-1-P;]	C6H13O9P1	260.029719	27251-84-9	metacyc	NA	NA
+MetaCyc02354	&alpha;-D-glucose 1-phosphate [glucose 1-phosphate;cori ester;D-glucose 1-phosphate;glucose-1P;&alpha;-glucose-1-phosphate;D-glucose-&alpha;-1-phosphate;&alpha;-D-glucose-1-P;D-glucose-1-phosphate;]	C6H13O9P1	260.029719	59-56-3	metacyc	NA	NA
+MetaCyc02355	&alpha;-D-galactose 1-phosphate [galactose-1P;galactose-1-P;D-galactose-1-phosphate;galactose-1-phosphate;]	C6H13O9P1	260.029719	2255-14-3	metacyc	NA	NA
+MetaCyc02356	&beta;-D-fructose-2-phosphate [&beta;-D-fructofuranose 2-phosphate;]	C6H13O9P1	260.029719	NA	metacyc	NA	NA
+HMDB00124	Fructose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00124	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00645	Galactose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00645	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01401	Glucose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01401	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00124	Fructose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00124	HMDB	NA	NA
+HMDB00213	Myoinositol 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00213	HMDB	NA	NA
+HMDB00645	Galactose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00645	HMDB	NA	NA
+HMDB00994	Dolichyl phosphate D-mannose	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00994	HMDB	NA	NA
+HMDB01076	Fructose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01076	HMDB	NA	NA
+HMDB01078	Mannose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01078	HMDB	NA	NA
+HMDB01313	D-Myoinositol 4-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01313	HMDB	NA	NA
+HMDB01401	Glucose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01401	HMDB	NA	NA
+HMDB01586	Glucose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01586	HMDB	NA	NA
+HMDB02985	Inositol phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB02985	HMDB	NA	NA
+HMDB03498	beta-D-Glucose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB03498	HMDB	NA	NA
+HMDB03971	beta-D-Fructose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB03971	HMDB	NA	NA
+HMDB06328	D-Tagatose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06328	HMDB	NA	NA
+HMDB06330	D-Mannose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06330	HMDB	NA	NA
+HMDB06793	alpha-D-Glucose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06793	HMDB	NA	NA
+HMDB06797	Sorbose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06797	HMDB	NA	NA
+HMDB06800	beta-D-Fructose 2-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06800	HMDB	NA	NA
+HMDB06814	1D-myo-Inositol 3-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06814	HMDB	NA	NA
+HMDB06873	D-Tagatose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB06873	HMDB	NA	NA
+HMDB00124	Fructose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00124	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00645	Galactose 1-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB00645	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01401	Glucose 6-phosphate	C6H13O9P	260.02972	http://www.hmdb.ca/metabolites/HMDB01401	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00124	Fructose 6-phosphate	C6H13O9P	260.02972	HMDB00124	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00213	Myoinositol 1-phosphate	C6H13O9P	260.02972	HMDB00213	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00645	Galactose 1-phosphate	C6H13O9P	260.02972	HMDB00645	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00994	Dolichyl phosphate D-mannose	C6H13O9P	260.02972	HMDB00994	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01076	Fructose 1-phosphate	C6H13O9P	260.02972	HMDB01076	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01078	Mannose 6-phosphate	C6H13O9P	260.02972	HMDB01078	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01313	D-Myoinositol 4-phosphate	C6H13O9P	260.02972	HMDB01313	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01401	Glucose 6-phosphate	C6H13O9P	260.02972	HMDB01401	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01586	Glucose 1-phosphate	C6H13O9P	260.02972	HMDB01586	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02985	Inositol phosphate	C6H13O9P	260.02972	HMDB02985	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03498	beta-D-Glucose 6-phosphate	C6H13O9P	260.02972	HMDB03498	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03971	beta-D-Fructose 6-phosphate	C6H13O9P	260.02972	HMDB03971	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06328	D-Tagatose 1-phosphate	C6H13O9P	260.02972	HMDB06328	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06330	D-Mannose 1-phosphate	C6H13O9P	260.02972	HMDB06330	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06793	alpha-D-Glucose 6-phosphate	C6H13O9P	260.02972	HMDB06793	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06797	Sorbose 1-phosphate	C6H13O9P	260.02972	HMDB06797	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06800	beta-D-Fructose 2-phosphate	C6H13O9P	260.02972	HMDB06800	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06814	1D-myo-Inositol 3-phosphate	C6H13O9P	260.02972	HMDB06814	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06873	D-Tagatose 6-phosphate	C6H13O9P	260.02972	HMDB06873	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00124	Fructose 6-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB00213	Myo-inositol 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB00645	Galactose 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB00994	Dolichyl phosphate D-mannose	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB01076	Fructose 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB01078	Mannose 6-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB01313	D-Myo-inositol 4-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB01401	Glucose 6-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB01586	Glucose 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB02985	Inositol phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB03498	Beta-D-Glucose 6-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB03971	Beta-D-Fructose 6-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB06328	D-Tagatose 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB06330	D-Mannose 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB06797	Sorbose 1-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB06800	Beta-D-Fructose 2-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB06814	1D-myo-Inositol 3-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+HMDB06873	D-Tagatose 6-phosphate	C6H13O9P	260.029724	NA	HMDB2010	NA	NA
+MJ017393	1,2,6,8-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017394	1,3,5,6-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017395	1,3,5,7-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017396	1,3,5,8-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017397	1,3,6,7-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017398	2,3,5,6-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017399	2,3,6,7-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017400	2,4,7-Trihydroxy-5-methyl-1,8-naphthalenedicarboxylic acid; Anhydride 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017401	3,4,5,6-Tetrahydroxyxanthone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017402	5-Hydroxy-3-methylnaphtho[2,3-c]furan-4(9H)-one; 1',8-Dihydroxy, 9-oxo 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MJ017403	Hymenoquinone 	C13H8O6	260.032087	NA	MeJP	NA	NA
+MetaCyc02357	1,3,5,6-tetrahydroxyxanthone []	C13H8O6	260.032088	NA	metacyc	NA	NA
+MetaCyc02358	1,3,5,8-tetrahydroxyxanthone []	C13H8O6	260.032088	NA	metacyc	NA	NA
+MetaCyc02359	1,3,6,7-tetrahydroxyxanthone []	C13H8O6	260.032088	NA	metacyc	NA	NA
+C10056	Demethylbellidifolin	C13H8O6	260.0321	NA	KEGG	NA	NA
+C10086	Norathyriol	C13H8O6	260.0321	NA	KEGG	NA	NA
+C10088	Norswertianin	C13H8O6	260.0321	NA	KEGG	NA	NA
+MJ017404	Phorbazole D 	C13H9ClN2O2	260.035255	NA	MeJP	NA	NA
+MJ017405	Sulprosal 	C10H12O6S	260.035458	NA	MeJP	NA	NA
+MJ017406	Nitralamine 	C10H13ClN2O2S	260.038626	NA	MeJP	NA	NA
+MJ017407	Rogiolal 	C11H17BrO2	260.041192	NA	MeJP	NA	NA
+MJ017408	2-Thiouridine 	C9H12N2O5S	260.046692	NA	MeJP	NA	NA
+MJ017409	4-Thiouridine 	C9H12N2O5S	260.046692	NA	MeJP	NA	NA
+MJ017410	Sulocarbilate 	C9H12N2O5S	260.046692	NA	MeJP	NA	NA
+MJ017411	Tiazofurine 	C9H12N2O5S	260.046692	NA	MeJP	NA	NA
+MetaCyc02360	2-thiouridine [s2U;]	C9H12N2O5S1	260.046692	NA	metacyc	NA	NA
+C07320	Suprofen	C14H12O3S	260.0507	NA	KEGG	NA	NA
+MJ017412	1-Ethylphenoxathiin 10,10-dioxide 	C14H12O3S	260.050714	NA	MeJP	NA	NA
+MJ017413	Suprofen 	C14H12O3S	260.050714	NA	MeJP	NA	NA
+MJ017414	Tiaprofenic acid 	C14H12O3S	260.050714	NA	MeJP	NA	NA
+MJ017415	[2-(8,9-Dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethyl]phosphonic acid 	C9H13N2O5P	260.056208	NA	MeJP	NA	NA
+MJ017416	2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol, Ac 	C15H13ClO2	260.060407	NA	MeJP	NA	NA
+MJ017417	2-Chloro-3-(7-nonene-1,3,5-triynyl)cyclopropanemethanol, Ac 	C15H13ClO2	260.060407	NA	MeJP	NA	NA
+MJ017418	5-Hydroxyuridine 	C9H12N2O7	260.06445	NA	MeJP	NA	NA
+MJ017419	1-Hydroxy-3,6-bis[2-(methylthio)ethyl]-2(1H)-pyrazinone 	C10H16N2O2S2	260.065319	NA	MeJP	NA	NA
+JH172	Trimethoxycinnamic acid (3,4,5-) [M+Na]+	NA	260.0668	15.69	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH172	Trimethoxycinnamic acid (3,4,5-) [M+Na]+	NA	260.0668	15.69	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH172	Trimethoxycinnamic acid (3,4,5-) [M+Na]+	NA	260.0668	15.69	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH172	Trimethoxycinnamic acid (3,4,5-) [M+Na]+	NA	260.0668	15.69	Inhousejuil11	NA	NA
+MJ017420	1,6,7,8-Dibenzofurantetrol; 6,8-Di-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017421	1-(3,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017422	2,2',4,5-Tetrahydroxybenzophenone; 4-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017423	2,3,4,7-Dibenzofurantetrol; 3,4-Di-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017424	2,4,4',5-Tetrahydroxybenzophenone; 4-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017425	2,4,4',6-Tetrahydroxybenzophenone; 4-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017426	2-Methoxystypandrone 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017427	3-Acetyl-5,7-dihydroxy-2-methyl-1,4-naphthoquinone; 7-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017428	4-(7-Hydroxy-2-oxo-2H-1-benzopyran-6-yl)-2-methyl-2-butenoic acid 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017429	5-Hydroxy-7-methyl-6-(2-oxopropyl)-1,4-naphthoquinone; 8-Hydroxy 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017430	6-Hydroxy-5,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017431	7-Acetyl-2,8-dihydroxy-6-methyl-1,4-naphthoquinone; 2-Me ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017432	7-Hydroxy-2H-1-benzopyran-2-one; O-(3-Carboxy-2-butenyl)(E-) 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017433	Clausenin 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017434	Deoxytalaroflavone 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017435	Hyphodermin 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017436	Isopatulin; 3-Hydroxybenzyl ether 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017437	Khellin 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017438	Nectriachrysone; O-De-Me 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017439	Obliquin, 5'-Hydroxy 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017440	Obliquin, 5-Hydroxy 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017441	Pratenol A 	C14H12O5	260.068473	NA	MeJP	NA	NA
+MJ017442	Semivioxanthin, O-De-Me 	C14H12O5	260.068473	NA	MeJP	NA	NA
+C09010	Khellin	C14H12O5	260.0685	NA	KEGG	NA	NA
+MJ017443	N-(2-Chloro-6-methylphenyl)-6-methyl-3-pyridinecarboxamide 	C14H13ClN2O	260.07164	NA	MeJP	NA	NA
+MJ017444	Motapizone 	C12H12N4OS	260.073181	NA	MeJP	NA	NA
+MJ017445	Dezinamide 	C11H11F3N2O2	260.077262	NA	MeJP	NA	NA
+MJ017446	1,2,3,4-Tetrahydro-?-carboline-1,3-dicarboxylic acid 	C13H12N2O4	260.079706	NA	MeJP	NA	NA
+CJneg0473	Sebacic acid [(M-H)+(NaCl)]-	C10H17O4ClNa	260.079725	C18rt(min)=7.65 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0473	Sebacic acid [(M-H)+(NaCl)]-	C10H17O4ClNa	260.079725	C18rt(min)=7.65 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ017447	Clevudine 	C10H13FN2O5	260.080849	NA	MeJP	NA	NA
+MJ017448	Biotin, S-Oxide 	C10H16N2O4S	260.083077	NA	MeJP	NA	NA
+MetaCyc02361	d-biotin d-sulfoxide [biotin sulfoxide;1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS,4S,5S,6aR)-;1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, (3aS-(3a&alpha;,4&beta;,5&alpha;,6a&alpha;))-;]	C10H16N2O4S1	260.083078	NA	metacyc	NA	NA
+MJ017449	9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol; Ac 	C15H16O2S	260.0871	NA	MeJP	NA	NA
+MJ017450	3-Furanmethanol; O-?-D-Glucopyranoside 	C11H16O7	260.089602	NA	MeJP	NA	NA
+MJ017451	Posoquenin; 3,4-Dihydro, stereoisomer 	C11H16O7	260.089602	NA	MeJP	NA	NA
+MJ017452	Benznidazole 	C12H12N4O3	260.09094	NA	MeJP	NA	NA
+MJ017453	Furafylline 	C12H12N4O3	260.09094	NA	MeJP	NA	NA
+MJ017454	13-Oxoellipticine 	C17H12N2O	260.094963	NA	MeJP	NA	NA
+MJ017455	Infractopicrine 	C17H13N2O(+)	260.094963	NA	MeJP	NA	NA
+MJ017456	16-Chloro-7,13,15-hexadecatriene-9,11-diyn-2-ol; Ketone 	C16H17ClO	260.096792	NA	MeJP	NA	NA
+CJpos0653	Threonine (and isomer) [2M+Na]+	C8H18O6N2Na	260.097875	C18rt(min)=0.88 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0653	Threonine (and isomer) [2M+Na]+	C8H18O6N2Na	260.097875	C18rt(min)=0.88 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB11161	L-alpha-glutamyl-L-hydroxyproline	C10H16N2O6	260.10083	NA	HMDB2010	NA	NA
+MJ017457	Oxypinnatanine 	C10H16N2O6	260.100836	NA	MeJP	NA	NA
+MJ017458	1(10),3-Guaiadiene-12,6:14,2-diolide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017459	1(10),4,11(13)-Germacratriene-12,6;14,8-diolide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017460	1(10),4,11(13)-Germacratriene-12,8;14,3-diolide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017461	1(10),4,11(13)-Germacratriene-12,8;15,6-diolide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017462	1,10-Epoxy-2-hydroxy-3,11(13)-guaiadien-12,6-olide, 2-Ketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017463	1,10-Epoxyfuranoeremophilane-6,9-diol, Diketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017464	1,10:8,12-Diepoxy-4,7,11-germacratrien-15,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017465	1,4-Epidioxy-2,9,11(13)-guaiatrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017466	1-(2,4-Dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-propanol 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017467	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propanol 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017468	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017469	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 4-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017470	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, O-(2-Methylpropanoyl), Me ester 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017471	11,13-Epoxy-3-hydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-Ketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017472	15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017473	2,3'-Dihydroxy-4-methoxy-5',6-dimethyldiphenyl ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017474	2,3,8-Trihydroxy-4-isopropyl-6-methyl-1-naphthalenecarboxaldehyde 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017475	2,7-Dihydroxy-5-isopropyl-3-methyl-1,4-naphthoquinone; 2-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017476	2,9-Epoxy-8-oxo-3,6-lactaradien-5,14-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017477	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 1?,10?-Epoxide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017478	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017479	3,7-Dihydroxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; 3-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017480	3,7-Dihydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; 3-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017481	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017482	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 11,13-Didehydro, 3-ketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017483	3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 6-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017484	3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017485	3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017486	3-(3-Hydroxy-3-methyl-1-butenyl)-7-methoxy-2H-1-benzopyran-2-one 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017487	3-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro, 3-Hydroxy 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017488	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Epoxide, 3-ketone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017489	3-Oxo-1,4,11(13)-eudesmatrien-12,8-olide, 1?,2?-Epoxide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017490	5,12-Epoxy-2-hydroxy-1,4,6-cadinatriene-3,8-dione 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017491	5,14-Epoxy-3-hydroxy-2(9),5,7(14)-lactaratrien-4,8-dione 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017492	5,6,9,10-Tetradehydro-1,4:3,14-diepoxy-4-hydroxy-4,5-secofuranoeremophilane 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017493	5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(3-Methyl-2-butenyl), 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017494	5,7-Dihydroxy-8-prenylcoumarin; 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017495	5-Acetyl-6-hydroxy-2-isopropenyl-7-methoxybenzofuran; 6-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017496	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017497	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, lactone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017498	6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran; Ac 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017499	6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017500	7(11),8-Eremophiladiene-12,8:15,6-diolide; 6?-form 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017501	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), O8-Me 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017502	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3-Methyl-2-butenyl), O7-Me 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017503	7,8-Dihydroxy-6-prenylcoumarin; 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017504	7,8-Dihydroxy-6-prenylcoumarin; 8-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017505	7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017506	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(1,1-Dimethyl-2-propenyl) 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017507	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017508	7-Hydroxy-6-prenylcoumarin; 2',3'-Epoxide, Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017509	7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017510	8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide, 4?,5?-Epoxide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017511	8,14-Dioxo-1(10),4,7(11)-germacratrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017512	8,9-Epoxy-14-oxo-1(10),4,7(11)-germacratrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017513	8-Hydroxy-1-oxo-3,7(11),9-eremophilatrien-12,8-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017514	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017515	8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017516	9-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017517	9-Hydroxy-3-oxo-4(15),10(14),11(13)-guaiatrien-12,6-olide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017518	Arnottinin; (E)-Isomer, 7-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017519	Artemisenol, Ac 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017520	Aspergione D 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017521	Auraptenol 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017522	Azedaralide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017523	Bitalin A, 12-Ac 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017524	Boninenal; 4'-Carboxylic acid, Me ester 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017525	Bothrioclinin; 3,4-Dihydro, 3?-hydroxy 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017526	Brachymeral 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017527	Breviquinone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017528	Cedrelopsin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017529	Celerin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017530	Citreopyrones; Citreopyrone D 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017531	Citrusal 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017532	Dehydrogeijerin; 2',3'-Dihydro 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017533	Demethylcacalohastine; 3?,14-Dihydroxy 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017534	Drupanin; 2''-Oxo, Me ester 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017535	Emmotin I 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017536	Ferreyrantholide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017537	Fomajorin D; 13-Hydroxy 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017538	Glaupalol 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017539	Griesenin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017540	Heliclactone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017541	Heteropeucenin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017542	Hydrogrammic acid 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017543	Isoerlangeafusciol 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017544	Marasmone; 3-Deoxy, 2,3-didehydro 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017545	Meranzin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017546	Murraol 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017547	Mycosinol; 2,3,8,9-Tetrahydro, 4-deoxy, 8-acetoxy 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017548	Nieshoutin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017549	Obliquetol; 6-Me ether 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017550	Pergillin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017551	Peucenin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017552	Pleurotellol; Carboxylic acid 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017553	Porelladiolide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017554	Pterolactone B; 12-Deoxy 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017555	Pyroangolensolide; 14?,15?-Epoxide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017556	Scabequinone 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017557	Sterepolide 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017558	Tamarin 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017559	Toxol; Ac 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017560	Wyerone acid, 11,12-Dihydro, Me ester 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017561	Wyerone acid, 8-Alcohol, Me ester 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017562	Xanthoxyletin; 6,7-Dihydro 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017563	Yangonin; 5,6-Dihydro 	C15H16O4	260.104859	NA	MeJP	NA	NA
+MJ017564	Yangonin; 7,8-Dihydro 	C15H16O4	260.104859	NA	MeJP	NA	NA
+C09392	8-Deoxylactucin	C15H16O4	260.1049	NA	KEGG	NA	NA
+C09495	Linderane	C15H16O4	260.1049	NA	KEGG	NA	NA
+C09680	Hemigossypol	C15H16O4	260.1049	NA	KEGG	NA	NA
+C09923	Cyperine	C15H16O4	260.1049	NA	KEGG	NA	NA
+C13634	2,3-Bis(4-hydroxyphenyl)-1,2-propanediol	C15H16O4	260.1049	NA	KEGG	NA	NA
+C16812	Homobaldrinal	C15H16O4	260.1049	NA	KEGG	NA	NA
+MJ017565	Villagorgin B 	C16H13N4(+)	260.106196	NA	MeJP	NA	NA
+PJ000111	NQ 	C9H16N4O5	260.1121	NA	PeJP	NA	NA
+MJ017566	Barbital; N-Ph 	C14H16N2O3	260.116092	NA	MeJP	NA	NA
+MJ017567	Cyclo(4-hydroxyprolylphenylalanyl) 	C14H16N2O3	260.116092	NA	MeJP	NA	NA
+MJ017568	Cyclo(prolyltyrosyl) 	C14H16N2O3	260.116092	NA	MeJP	NA	NA
+MJ017569	Nadoxolol 	C14H16N2O3	260.116092	NA	MeJP	NA	NA
+C10605	Maculosin	C14H16N2O3	260.1161	NA	KEGG	NA	NA
+8140	synthetic peptide	YPEL	260.1205	MH2+	Inhouse_peptide	NA	peptide
+MJ017570	Psicose; ?-D-Pyranose-form, 1,2:4,5-Di-O-isopropylidene 	C12H20O6	260.125988	NA	MeJP	NA	NA
+MJ017571	Riburonic acid; ?-D-Furanose-form, Me glycoside, 2,3-O-isopropylidene, isopropyl ester 	C12H20O6	260.125988	NA	MeJP	NA	NA
+7826	ACE inhibitor	EI	260.126	antithrombotic	Inhouse_peptide	NA	peptide
+7827	ACE inhibitor	IE	260.126	antithrombotic	Inhouse_peptide	NA	peptide
+7888	antioxidative peptide	EL	260.126	antibacterial	Inhouse_peptide	NA	peptide
+CJneg0474	4-methyl-2-oxovaleric acid (ketoleucine) [(2M-H)]-	C12H19O6	260.126525	C18rt(min)=5.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0474	4-methyl-2-oxovaleric acid (ketoleucine) [(2M-H)]-	C12H19O6	260.126525	C18rt(min)=5.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ017572	Diaveridine 	C13H16N4O2	260.127325	NA	MeJP	NA	NA
+C14501	N,N'-Diphenyl-p-phenylenediamine	C18H16N2	260.1313	NA	KEGG	NA	NA
+MJ017573	3,3'-Methylenebisindole; N-Me 	C18H16N2	260.131348	NA	MeJP	NA	NA
+MJ017574	Streptindole; Deacetoxy 	C18H16N2	260.131348	NA	MeJP	NA	NA
+MJ017575	5-Ethyl-2-methyl-11H-pyrido[3,4-a]carbazolium(1+) 	C18H17N2(+)	260.131348	NA	MeJP	NA	NA
+MJ017576	Ellipticine; N2-Me 	C18H17N2(+)	260.131348	NA	MeJP	NA	NA
+C11113	Methaphenilene	C15H20N2S	260.1347	NA	KEGG	NA	NA
+MJ017577	Methaphenilene 	C15H20N2S	260.134719	NA	MeJP	NA	NA
+CJpos0654	 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)+(HCOOH)]+	C11H21N2O5	260.136675	C18rt(min)=1.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0655	(gamma)glu-leu(ile) [(M+H)]+	C11H21N2O5	260.136675	C18rt(min)=5.25 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0654	 2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide (and isomers) [(M+H)+(HCOOH)]+	C11H21N2O5	260.136675	C18rt(min)=1.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0655	(gamma)glu-leu(ile) [(M+H)]+	C11H21N2O5	260.136675	C18rt(min)=5.25 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+7698	ACE inhibitor from wakame	NK	260.1369	antioxidative	Inhouse_peptide	NA	peptide
+PJ000112	LE 	C11H20N2O5	260.1372	NA	PeJP	NA	NA
+HMDB11170	L-gamma-glutamyl-L-isoleucine	C11H20N2O5	260.137207	NA	HMDB2010	NA	NA
+HMDB11171	L-gamma-glutamyl-L-leucine	C11H20N2O5	260.137207	NA	HMDB2010	NA	NA
+MJ017578	Fusarinine 	C11H20N2O5	260.137221	NA	MeJP	NA	NA
+MJ017579	N-(2-Carboxypropyl)glutamine; L-L-form, 1-Et ester 	C11H20N2O5	260.137221	NA	MeJP	NA	NA
+MJ017580	N-?-Glutamylisoleucine; L-L-form 	C11H20N2O5	260.137221	NA	MeJP	NA	NA
+MJ017581	N-?-Glutamylleucine; L-L-form 	C11H20N2O5	260.137221	NA	MeJP	NA	NA
+CJneg0475	(gamma)glu-leu(ile) [(M-H)]-	C11H19N2O5	260.137725	C18rt(min)=5.25 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0475	(gamma)glu-leu(ile) [(M-H)]-	C11H19N2O5	260.137725	C18rt(min)=5.25 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C09695	Lacinilene C 7-methyl ether	C16H20O3	260.1412	NA	KEGG	NA	NA
+C17744	1-(4-Hydroxyphenyl)-1-decene-3,5-dione	C16H20O3	260.1412	NA	KEGG	NA	NA
+C18135	Dihydroshikonofuran	C16H20O3	260.1412	NA	KEGG	NA	NA
+MJ017582	1-(3,4-Dihydroxyphenyl)-1,3-decadien-5-one 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017583	1-(6-Hydroxy-2-methyl-2H-1-benzopyran-2-yl)-4-methyl-2-pentanone 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017584	1-Hydroxy-1,3,5,8,10-bisabolapentaen-15-oic acid, Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017585	2-Heptyl-5-hydroxy-4H-1-benzopyran-4-one 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017586	2-Hydroxy-1,4,6-eudesmatriene-3,8-dione; Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017587	2-Hydroxy-12,6-furano-9-guaien-8-one; Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017588	2-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017589	2-Oxo-1(10),3,11(13)-guaiatrien-12-oic acid; 5?-form, Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017590	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl), 1-Ac 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017591	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12-oic acid, 3-Ketone, Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017592	4,6-Tetradecadiene-8,10-diyne-1,12-diol, 1-Ac 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017593	5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid, Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017594	6,11-Epoxy-4(15),5,10-pinguisatrien-12-oic acid; Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017595	6,12-Tetradecadiene-8,10-diyne-1,3-diol, 1-Ac 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017596	6,12-Tetradecadiene-8,10-diyne-1,3-diol, 3-Ac 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017597	8,12-Epoxy-1(10),4,7,11-germacratetraen-15-oic acid, Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017598	8,12-Epoxy-3-hydroxy-1,7,10(14),11-germacratetraen-6-one, Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017599	8-Hydroxy-1,4,7(11)-guaiatrien-12,8-olide, Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017600	9-Oxo-1,3,5,7-bisabolatetraen-15-oic acid, Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017601	Alliodorol, Aldehyde 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017602	Allioquinol C 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017603	Cacalol; 13-Hydroxy, 9-Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017604	Citreobenzofuran A 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017605	Citreobenzofuran B; 13-Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017606	Dihydroshikonofuran 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017607	Heterogorgiolide 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017608	Hexacyprone 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017609	Isofischeric acid; Me ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017610	Lacinilene C; Me ether 	C16H20O3	260.141244	NA	MeJP	NA	NA
+MJ017611	Liguhodgsonal, 15-Carboxylic acid, Et ester 	C16H20O3	260.141244	NA	MeJP	NA	NA
+3360	NA	VKAGF	260.144	MH2+	Inhouse_peptide	NA	peptide
+8131	peptide derived from dried bonito	FVAGK	260.144	MH2+	Inhouse_peptide	NA	peptide
+PJ000113	NK 	C10H20N4O4	260.1485	NA	PeJP	NA	NA
+MJ017612	6-Hydroxy-2'-(2-methylpropyl)spiro[3H-indole-3,3'-pyrrolidin]-2(1H)-one 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017613	Albineyl 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017614	Anagyrine; Hydroxy 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017615	Aphyllidine, 17-Oxo 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017616	Argentinamine 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017617	Baptifoline 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017618	Cyclo(leucylphenylalanyl) 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017619	Cytisine, N-(3-Oxobutyl) 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017620	Fenspiride 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017621	Multiflorine; 13?-Hydroxy, 5,6-didehydro 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017622	Oxamisole 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017623	Phyllanthimide 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017624	Sophoramine; 7?-Hydroxy 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017625	Sophoramine; 9?-Hydroxy 	C15H20N2O2	260.152477	NA	MeJP	NA	NA
+MJ017626	Tryptophan, Na,Na,Na-Tri-Me, Me ester 	C15H21N2O2(+)	260.152477	NA	MeJP	NA	NA
+C10755	Baptifoline	C15H20N2O2	260.1525	NA	KEGG	NA	NA
+7561	ACE inhibitor from soy hydrolysate	IYLL	260.1575	MH2+	Inhouse_peptide	NA	peptide
+MJ017627	Narbosine A; 1-Me glycoside 	C13H24O5	260.162373	NA	MeJP	NA	NA
+MJ017628	Valdice 	C13H24O5	260.162373	NA	MeJP	NA	NA
+MJ017629	Imolamine 	C14H20N4O	260.163711	NA	MeJP	NA	NA
+C07927	Carisoprodol	C12H24N2O4	260.1736	NA	KEGG	NA	NA
+MJ017630	Carisoprodol 	C12H24N2O4	260.173607	NA	MeJP	NA	NA
+C08449	Falcarindiol	C17H24O2	260.1776	NA	KEGG	NA	NA
+MJ017631	1,8-Heptadecadiene-4,6-diyne-3,10-diol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017632	1,9,16-Heptadecatriene-4,6-diyne-3,8-diol, 1,2-Dihydro (3S,8S-) 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017633	1,9-Heptadecadiene-4,6-diyne-3,8-diol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017634	1-Hydroxy-8-heptadecene-4,6-diyn-3-one 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017635	1-Hydroxy-9-heptadecene-4,6-diyn-3-one 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017636	17-Hydroxy-9-heptadecene-11,13-diyn-4-one 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017637	2,8-Heptadecadiene-4,6-diyne-1,10-diol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017638	2,9-Heptadecadiene-4,6-diyne-1,8-diol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017639	4,7,11-Muurolatrien-3-ol, Ac 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017640	4-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxybenzoic acid; 1'-Alcohol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017641	5-(3-Decenyl)-1,3-benzodioxole 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017642	6,8,12-Hexadecatrien-10-ynoic acid, Me ester 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017643	8,10-Heptadecadiene-4,6-diyne-1,12-diol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017644	9,10-Epoxy-16-heptadecene-4,6-diyn-8-ol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017645	Amphilectolide 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017646	Hamabiwalactone A 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017647	Laurene; 15-Acetoxy, 8,11-dihydro 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017648	Norasperenal A 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017649	Norasperenal B 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017650	Panaxydol 	C17H24O2	260.17763	NA	MeJP	NA	NA
+MJ017651	Tochuinol; Ac 	C17H24O2	260.17763	NA	MeJP	NA	NA
+CJpos0656	Hexanoylcarnitine [(M+H)]+ (13C)	C1213CH26NO4	260.181175	C18rt(min)=6.65 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0657	Hexanoylcarnitine isomer [(M+H)]+ (13C)	C1213CH26NO4	260.181175	C18rt(min)=6.23 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0658	Hexanoylcarnitine isomer [(M+H)]+ (13C)	C1213CH26NO4	260.181175	C18rt(min)=6.35 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0656	Hexanoylcarnitine [(M+H)]+ (13C)	C1213CH26NO4	260.181175	C18rt(min)=6.65 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0657	Hexanoylcarnitine isomer [(M+H)]+ (13C)	C1213CH26NO4	260.181175	C18rt(min)=6.23 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0658	Hexanoylcarnitine isomer [(M+H)]+ (13C)	C1213CH26NO4	260.181175	C18rt(min)=6.35 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ017652	?-Obscurine; Natural-form, 2,3-Dihydro, N-de-Me 	C16H24N2O	260.188863	NA	MeJP	NA	NA
+MJ017653	Lycocernuine; Deoxy, 12,13-didehydro 	C16H24N2O	260.188863	NA	MeJP	NA	NA
+MJ017654	Oxymetazoline 	C16H24N2O	260.188863	NA	MeJP	NA	NA
+MJ017655	Pincainide 	C16H24N2O	260.188863	NA	MeJP	NA	NA
+MJ017656	Ropinirole 	C16H24N2O	260.188863	NA	MeJP	NA	NA
+C07363	Oxymetazoline	C16H24N2O	260.1889	NA	KEGG	NA	NA
+C07365	Transferred to D00469	C16H24N2O	260.1889	NA	KEGG	NA	NA
+C07564	Ropinirole	C16H24N2O	260.1889	NA	KEGG	NA	NA
+MJ017657	3,11-Dihydroxytetradecanoic acid 	C14H28O4	260.198759	NA	MeJP	NA	NA
+MJ017658	9,10-Dihydroxytetradecanoic acid 	C14H28O4	260.198759	NA	MeJP	NA	NA
+MJ017659	4-Aminopyrrolo[2,3-d]pyrimidine; 4-N-Nonyl 	C15H24N4	260.200096	NA	MeJP	NA	NA
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR507	Acide Arachidonique F2	NA	260.205425	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR507	Acide Arachidonique F2	NA	260.205425	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR507	Acide Arachidonique F2	NA	260.205425	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR507	Acide Arachidonique F2	NA	260.205425	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR507	Acide Arachidonique F2	F2	260.205425	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ017660	14,15-Dinor-2,4(18)-clerodadien-13-one; ent-form 	C18H28O	260.214015	NA	MeJP	NA	NA
+MJ017661	14,15-Dinor-3,11-clerodadien-13-one; ent-form 	C18H28O	260.214015	NA	MeJP	NA	NA
+MJ017662	15,16-Dinor-8(17),11-labdadien-13-one 	C18H28O	260.214015	NA	MeJP	NA	NA
+MJ017663	15,16-Dinor-8(17),12-labdadien-14-al 	C18H28O	260.214015	NA	MeJP	NA	NA
+MJ017664	Dinortrixagone 	C18H28O	260.214015	NA	MeJP	NA	NA
+C01554	Androstane	C19H32	260.2504	NA	KEGG	NA	NA
+MJ017665	Gibberellin 19 	C19H32	260.250401	NA	MeJP	NA	NA
+MJ017666	1,10,13,16-Nonadecatetraene 	C19H32	260.250401	NA	MeJP	NA	NA
+MJ017667	1,3,6,9-Nonadecatetraene 	C19H32	260.250401	NA	MeJP	NA	NA
+MJ017668	15-Nor-3,13-clerodadiene; ent-form 	C19H32	260.250401	NA	MeJP	NA	NA
+MJ017669	3,6,9,11-Nonadecatetraene 	C19H32	260.250401	NA	MeJP	NA	NA
+MJ017670	Tridecylbenzene 	C19H32	260.250401	NA	MeJP	NA	NA
+2812	PEP inhibitor	LPPPV	260.654	MH2+	Inhouse_peptide	NA	peptide
+MJ017671	7-Bromocavernicolenone 	C8H8BrNO4	260.96367	NA	MeJP	NA	NA
+MJ017672	?-Amino-3,4-dichloro-?-oxobenzenebutanoic acid 	C10H9Cl2NO3	260.995948	NA	MeJP	NA	NA
+MJ017673	Aulosirazole 	C12H7NO4S	261.009578	NA	MeJP	NA	NA
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	HMDB	NA	NA
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	HMDB	NA	NA
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	Inhouse_PFEM	NA	NA
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	Inhouse_PFEM	NA	NA
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC019	Phosphotyrosine	C9H12NO6P	261.0358	RT2.6	PFEM_hmdb_metabocards_official	NA	NA
+PARAC020	Phosphotyrosine	C9H12NO6P	261.0358	RT7.4	PFEM_hmdb_metabocards_official	NA	NA
+C06501	Phosphotyrosine	C9H12NO6P	261.0402	NA	KEGG	NA	NA
+C06502	4,6-Diamino-5-formamidopyrimidine	C9H12NO6P	261.0402	NA	KEGG	NA	NA
+HMDB06049	O-Phosphotyrosine	C9H12NO6P	261.040222	NA	HMDB2010	NA	NA
+MJ017674	O-Phosphotyrosine 	C9H12NO6P	261.040223	NA	MeJP	NA	NA
+MetaCyc02362	O-phospho-L-tyrosine [Phosphotyrosine;L-Tyrosine, dihydrogen phosphate (ester);]	C9H12N1O6P1	261.040224	NA	metacyc	NA	NA
+MJ017675	4-Aminophenol; N-Ac, 2-thiophenecarbonyl ester 	C13H11NO3S	261.045963	NA	MeJP	NA	NA
+C13112	Ancitabin hydrochloride	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13113	Transferred to D01652	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13114	Transferred to D01653	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13115	Transferred to D01654	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13116	Transferred to D01655	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13117	Transferred to D01656	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13118	Transferred to D01657	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13119	Transferred to D01658	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13120	Transferred to D01659	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13121	Transferred to D01660	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13122	Transferred to D01661	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13123	Transferred to D01662	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13124	Transferred to D01663	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13125	Transferred to D01664	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+C13126	Transferred to D01665	C9H11N3O4	261.0516	NA	KEGG	NA	NA
+MJ017676	5'-Chloro-5'-deoxyarabinosylcytosine 	C9H12ClN3O4	261.051633	NA	MeJP	NA	NA
+MJ017677	Cicletanine 	C14H12ClNO2	261.055656	NA	MeJP	NA	NA
+MJ017678	Tolfenamic acid 	C14H12ClNO2	261.055656	NA	MeJP	NA	NA
+MJ017679	Zyzzin; 3,4-Dihydro, 4-methoxy 	C12H11N3O2S	261.057197	NA	MeJP	NA	NA
+HMDB01504	Aminoparathion	C10H16NO3PS	261.058838	NA	HMDB2010	NA	NA
+HMDB01504	Aminoparathion	C10H16NO3PS	261.05884	http://www.hmdb.ca/metabolites/HMDB01504	HMDB	NA	NA
+HMDB01504	Aminoparathion	C10H16NO3PS	261.05884	HMDB01504	PFEM_hmdb_metabocards_official	NA	NA
+MJ017680	Aminoparathion 	C10H16NO3PS	261.05885	NA	MeJP	NA	NA
+MetaCyc02363	amino-parathion []	C10H16N1O3P1S1	261.058851	NA	metacyc	NA	NA
+C06605	Aminoparathion	C10H16NO3PS	261.0589	NA	KEGG	NA	NA
+C11342	Oxolinic acid	C13H11NO5	261.0637	NA	KEGG	NA	NA
+MJ017681	Oxolinic acid 	C13H11NO5	261.063722	NA	MeJP	NA	NA
+MJ017682	Renierol; O7-De-Me, O1'-Ac 	C13H11NO5	261.063722	NA	MeJP	NA	NA
+MJ017683	Cericlamine 	C12H17Cl2NO	261.068719	NA	MeJP	NA	NA
+MJ017684	6,7,8,9-Tetrahydro-5-nitro-1H-benz[g]indole-2,3-dione; 3-Oxime 	C12H11N3O4	261.074955	NA	MeJP	NA	NA
+C13731	NS-102	C12H11N3O4	261.075	NA	KEGG	NA	NA
+MJ017685	Flumequine 	C14H12FNO3	261.080121	NA	MeJP	NA	NA
+8114	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GGE	261.084	anticancer	Inhouse_peptide	NA	peptide
+MJ017686	1,3-Dihydro-3-hydroxy-2H-pyrrol-2-one; O-?-D-Glucopyranoside 	C10H15NO7	261.084851	NA	MeJP	NA	NA
+MJ017687	1,5-Dihydro-5-hydroxy-2H-pyrrol-2-one, O-?-D-Glucopyranoside 	C10H15NO7	261.084851	NA	MeJP	NA	NA
+C11102	Hymexazol  O-glucoside	C10H15NO7	261.0849	NA	KEGG	NA	NA
+C11104	Hymexazol N-glucoside	C10H15NO7	261.0849	NA	KEGG	NA	NA
+MJ017688	2,5-Dihydro-2-phenyl-3H-pyrazolo[4,3-c]quinolin-3-one 	C16H11N3O	261.090211	NA	MeJP	NA	NA
+MJ017689	Setazindol 	C15H16ClNO	261.092041	NA	MeJP	NA	NA
+MJ017690	?-Glutamylasparagine; L-L-form 	C9H15N3O6	261.096085	NA	MeJP	NA	NA
+MJ017691	Alahopcin 	C9H15N3O6	261.096085	NA	MeJP	NA	NA
+PJ000114	NE 	C9H15N3O6	261.0961	NA	PeJP	NA	NA
+7579	ACE inhibitor	GW	261.1	antioxidative	Inhouse_peptide	NA	peptide
+7613	ACE inhibitor	WG	261.1	antioxidative	Inhouse_peptide	NA	peptide
+MJ017692	3',4'-Dihydroxy-3',4'-dihydroflindersine 	C14H15NO4	261.100107	NA	MeJP	NA	NA
+MJ017693	Oxazorone 	C14H15NO4	261.100107	NA	MeJP	NA	NA
+MJ017694	Annomontine 	C15H11N5	261.101445	NA	MeJP	NA	NA
+PJ000115	GW 	C13H15N3O3	261.1114	NA	PeJP	NA	NA
+MJ017695	2-Decene-4,6,8-triynoic acid, 2-Phenylethylamide 	C18H15NO	261.115364	NA	MeJP	NA	NA
+2868	opioid peptide	YPFP	261.1175	MH2+	Inhouse_peptide	NA	peptide
+8134	peptide derived from dried bonito	KD	261.1209	stimulating	Inhouse_peptide	NA	peptide
+C08332	Heterodendrin	C11H19NO6	261.1212	NA	KEGG	NA	NA
+C08334	Lotaustralin	C11H19NO6	261.1212	NA	KEGG	NA	NA
+C10607	Mycosporine	C11H19NO6	261.1212	NA	KEGG	NA	NA
+MJ017696	2-Hydroxy-2-methylbutanoic acid, Nitrile, O-?-D-glucopyranoside 	C11H19NO6	261.121237	NA	MeJP	NA	NA
+MJ017697	2-Hydroxy-3-methylbutanoic acid, Nitrile, O-?-D-glucopyranoside 	C11H19NO6	261.121237	NA	MeJP	NA	NA
+MJ017698	3-Hydroxy-3-methylbutanoic acid; Nitrile, O-?-D-glucopyranoside 	C11H19NO6	261.121237	NA	MeJP	NA	NA
+MJ017699	4-Hydroxy-3-methylbutanoic acid, Nitrile, O-?-D-glucopyranoside 	C11H19NO6	261.121237	NA	MeJP	NA	NA
+MJ017700	Mycosporin 1 	C11H19NO6	261.121237	NA	MeJP	NA	NA
+HMDB13133	Methylglutarylcarnitine	C11H19NO6	261.121246	NA	HMDB2010	NA	NA
+MJ017701	1-Isothiocyanato-10-(methylthio)decane; S-Oxide 	C12H23NOS2	261.122105	NA	MeJP	NA	NA
+MJ017702	Methapyrilene 	C14H19N3S	261.129968	NA	MeJP	NA	NA
+MJ017703	Thenyldiamine 	C14H19N3S	261.129968	NA	MeJP	NA	NA
+C11114	Methapyrilene	C14H19N3S	261.13	NA	KEGG	NA	NA
+MJ017704	N2-?-Glutamylornithine 	C10H19N3O5	261.13247	NA	MeJP	NA	NA
+HMDB02248	Gamma glutamyl ornithine	C10H19N3O5	261.132477	NA	HMDB2010	NA	NA
+HMDB04985	Aspartylysine	C10H19N3O5	261.132477	NA	HMDB2010	NA	NA
+HMDB04987	Alpha-Aspartyl-lysine	C10H19N3O5	261.132477	NA	HMDB2010	NA	NA
+HMDB02248	gamma glutamyl ornithine	C10H19N3O5	261.13248	http://www.hmdb.ca/metabolites/HMDB02248	HMDB	NA	NA
+HMDB04985	Aspartylysine	C10H19N3O5	261.13248	http://www.hmdb.ca/metabolites/HMDB04985	HMDB	NA	NA
+HMDB04987	alpha-Aspartyl-lysine	C10H19N3O5	261.13248	http://www.hmdb.ca/metabolites/HMDB04987	HMDB	NA	NA
+HMDB02248	gamma glutamyl ornithine	C10H19N3O5	261.13248	HMDB02248	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04985	Aspartylysine	C10H19N3O5	261.13248	HMDB04985	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04987	alpha-Aspartyl-lysine	C10H19N3O5	261.13248	HMDB04987	PFEM_hmdb_metabocards_official	NA	NA
+PJ000116	DK 	C10H19N3O5	261.1325	NA	PeJP	NA	NA
+MJ017705	3-(3,4-Methylenedioxyphenyl)propenoic acid, 3-Methylbutylamide 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017706	3-(3,4-Methylenedioxyphenyl)propenoic acid, Pentylamide 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017707	3-(3,5-Dihydroxyphenyl)-2-propenoic acid; Di-Me ether, pyrrolidide 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017708	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Hydroxybenzoyl) 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017709	8-Methyl-8-azabicyclo[3.2.1]octane-1,3-diol, 3-O-Benzoyl 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017710	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Benzoyl 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017711	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-Benzoyl 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017712	Ampullicin; 5,6-Dihydro 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017713	Cichorine; O-(3-Methyl-2-butenyl) 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017714	Cocculolidine 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017715	Nuphacristine 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017716	Pinolinone 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017717	Ravenoline, 2',3'-Dihydro, 2'-hydroxy 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+MJ017718	Ximoprofen 	C15H19NO3	261.136493	NA	MeJP	NA	NA
+C10626	Zinnimidine	C15H19NO3	261.1365	NA	KEGG	NA	NA
+C10853	Cochlearine	C15H19NO3	261.1365	NA	KEGG	NA	NA
+C15462	cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-	C15H19NO3	261.1365	NA	KEGG	NA	NA
+3039	inhibitor og fibrinogen and thrombin coagulation	GPRPP	261.139	MH2+	Inhouse_peptide	NA	peptide
+CJpos0659	(gamma)glu-leu(ile) [(M+H)]+ (13C)	C1013CH21N2O5	261.140075	C18rt(min)=5.25 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0659	(gamma)glu-leu(ile) [(M+H)]+ (13C)	C1013CH21N2O5	261.140075	C18rt(min)=5.25 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0476	(gamma)glu-leu(ile) [(M-H)]- (13C)	C1013CH19N2O5	261.141125	C18rt(min)=5.25 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0476	(gamma)glu-leu(ile) [(M-H)]- (13C)	C1013CH19N2O5	261.141125	C18rt(min)=5.25 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000117	SR 	C9H19N5O4	261.1437	NA	PeJP	NA	NA
+MJ017719	Cytisine, N-Acetamidomethyl 	C14H19N3O2	261.147726	NA	MeJP	NA	NA
+MJ017720	Eserine; 8-N-De-Me 	C14H19N3O2	261.147726	NA	MeJP	NA	NA
+MJ017721	Zilpaterol 	C14H19N3O2	261.147726	NA	MeJP	NA	NA
+MJ017722	Phenindamine 	C19H19N	261.151749	NA	MeJP	NA	NA
+MJ017723	Setiptiline 	C19H19N	261.151749	NA	MeJP	NA	NA
+C07790	Phenindamine	C19H19N	261.1518	NA	KEGG	NA	NA
+C07791	Transferred to D00673	C19H19N	261.1518	NA	KEGG	NA	NA
+MJ017724	10-Isothiocyanato-4,6-amorphadiene 	C16H23NS	261.15512	NA	MeJP	NA	NA
+MJ017725	Axamide 1; 7,11-Didehydro, isothiocyanate 	C16H23NS	261.15512	NA	MeJP	NA	NA
+MJ017726	1-Amino-2-propanol, N-Cyclohexyl, O-benzoyl 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017727	Anhydrolycodoline; Natural-form, 10?-Hydroxy 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017728	Anhydrolycodoline; Natural-form, 7-Hydroxy 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017729	Bufuralol 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017730	Ethoheptazine 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017731	Etoxadrol 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017732	Fawcettidine; 8S-Hydroxy 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017733	Fawcettimine; Natural-form, 9,10-Didehydro 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017734	Hexahydro-2-methyl-4-phenyl-4-azepinecarboxylic acid; N-Me, Me ester 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017735	Idropranolol 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017736	Joubertiamine, 2,3-Dihydro 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017737	Lycofoline; 5-Ketone 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017738	Lycofoline; 8-Ketone 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017739	Lycopecurine; 2-Oxo 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017740	Lycopecurine; 2?-Hydroxy, 5-ketone 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017741	Lycopodium Base VI 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017742	Piperocaine 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017743	Prodine 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017744	Properidine 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+MJ017745	Serratinine, 8-Deoxy, 13-ketone 	C16H23NO2	261.172878	NA	MeJP	NA	NA
+C09850	Acrifoline	C16H23NO2	261.1729	NA	KEGG	NA	NA
+C09867	Inundatine	C16H23NO2	261.1729	NA	KEGG	NA	NA
+C13769	Bufuralol	C16H23NO2	261.1729	NA	KEGG	NA	NA
+C13770	Transferred to D02140	C16H23NO2	261.1729	NA	KEGG	NA	NA
+C14172	Hexylcaine	C16H23NO2	261.1729	NA	KEGG	NA	NA
+C14173	Piperocaine	C16H23NO2	261.1729	NA	KEGG	NA	NA
+MJ017746	1,3a-Didehydro-8-hydroxyptilocaulin 	C15H23N3O	261.184112	NA	MeJP	NA	NA
+MJ017747	Glochidicine 	C15H23N3O	261.184112	NA	MeJP	NA	NA
+MJ017748	Glochidine 	C15H23N3O	261.184112	NA	MeJP	NA	NA
+MJ017749	N-[2-(1H-Imidazol-4-yl)ethyl]-2,4-decadienamide 	C15H23N3O	261.184112	NA	MeJP	NA	NA
+MJ017750	Amixetrine 	C17H27NO	261.209264	NA	MeJP	NA	NA
+MJ017751	Cryptophorine 	C17H27NO	261.209264	NA	MeJP	NA	NA
+MJ017752	Darlingianine, Tetrahydro 	C17H27NO	261.209264	NA	MeJP	NA	NA
+C10139	Cryptophorine	C17H27NO	261.2093	NA	KEGG	NA	NA
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR463	Dehydrotestosterone glucuronide F8	NA	261.234775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR463	Dehydrotestosterone glucuronide F8	NA	261.234775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR463	Dehydrotestosterone glucuronide F8	NA	261.234775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR463	Déhydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR463	Dehydrotestosterone glucuronide F8	NA	261.234775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR463	Dehydrotestosterone glucuronide F8	F8	261.234775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ017753	5-(1,3-Decadienyl)indolizidine 	C18H31N	261.245649	NA	MeJP	NA	NA
+8082	synthetic peptide	RWY	261.6215	MH2+	Inhouse_peptide	NA	peptide
+MJ017754	1,1,1,3,3,3-Hexachloro-2-propanone 	C3Cl6O	261.80803	NA	MeJP	NA	NA
+MJ017755	Sodium dichromate(VI) (Na2Cr2O7) 	Cr2Na2O7	261.824965	NA	MeJP	NA	NA
+MJ017756	1-Bromo-3-iodo-2-propanone 	C3H4BrIO	261.84902	NA	MeJP	NA	NA
+MJ017757	Almasilate 	Al2MgO8Si2	261.861288	NA	MeJP	NA	NA
+MJ017758	Magnesium phosphate (Mg3(PO4)2) 	Mg3O8P2	261.861965	NA	MeJP	NA	NA
+MJ017759	(2-Methylpropyl)hexathiepane 	C5H10S6	261.910674	NA	MeJP	NA	NA
+MJ017760	Pentakis(cyano-C)nitrosylferrate(2-); Di-Na salt 	C5FeN6Na2O	261.92784	NA	MeJP	NA	NA
+MJ017761	Eudistomin D 	C11H7BrN2O	261.974175	NA	MeJP	NA	NA
+MJ017762	Eudistomin J 	C11H7BrN2O	261.974175	NA	MeJP	NA	NA
+MJ017763	2,2'-[1-(Methylthio)-1-buten-3-yne-1,4-diyl]bisthiophene 	C13H10S3	261.994462	NA	MeJP	NA	NA
+MJ017764	5-Methyl-2,2':5',2''-terthiophene 	C13H10S3	261.994462	NA	MeJP	NA	NA
+C11811	1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	C5H12O8P2	262.0007	NA	KEGG	NA	NA
+MetaCyc02364	1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate [HMBDP;(E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate;]	C5H12O8P2	262.00074	NA	metacyc	NA	NA
+MetaCyc02365	(E)-4-hydroxy-3-methylbut 2-en-1-yl diphosphate []	C5H12O8P2	262.00074	NA	metacyc	NA	NA
+MJ017765	3,7,8-Trihydroxy-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione 	C12H6O7	262.011352	NA	MeJP	NA	NA
+MJ017766	2-[3-[(3-Hydroxy-1-propyl)-2-thienyl]-2-propynylidene]-3-thietanol 	C13H10O2S2	262.01222	NA	MeJP	NA	NA
+MJ017767	5-(2-Thienylethynyl)-2-thiophenemethanol; Ac 	C13H10O2S2	262.01222	NA	MeJP	NA	NA
+MJ017768	5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene; 2''-Hydroxy 	C13H10O2S2	262.01222	NA	MeJP	NA	NA
+MJ017769	Thiarubrin E 	C13H10O2S2	262.01222	NA	MeJP	NA	NA
+MJ017770	5-Chlorooxazolo[4,5-h]quinoline-2-carboxylic acid; Me ester 	C12H7ClN2O3	262.014519	NA	MeJP	NA	NA
+HMDB11719	Homovanillic acid sulfate	C9H10O7S	262.014709	NA	HMDB2010	NA	NA
+MJ017771	Diapamide 	C9H11ClN2O3S	262.01789	NA	MeJP	NA	NA
+MJ017772	Broxaterol 	C9H15BrN2O2	262.03169	NA	MeJP	NA	NA
+MJ017773	Guanoclor 	C9H12Cl2N4O	262.038816	NA	MeJP	NA	NA
+MJ017774	Tiacrilast 	C12H10N2O3S	262.041212	NA	MeJP	NA	NA
+MJ017775	D-Mannitol 1-phosphate 	C6H15O9P	262.045368	NA	MeJP	NA	NA
+MJ017776	D-Sorbitol 6-phosphate 	C6H15O9P	262.045368	NA	MeJP	NA	NA
+MetaCyc02366	mannitol-1-phosphate [D-mannitol-6-phosphate;mannitol-6-P;mannitol-1-P;D-mannitol-1-phosphate;]	C6H15O9P1	262.045369	15806-48-1	metacyc	NA	NA
+MetaCyc02367	galactitol-1-phosphate []	C6H15O9P1	262.045369	NA	metacyc	NA	NA
+MetaCyc02368	D-sorbitol-6-phosphate [sorbitol 6-phosphate;sorbitol-6-phosphate;glucitol-6-phosphate;]	C6H15O9P1	262.045369	108392-12-7	metacyc	NA	NA
+HMDB01530	Mannitol 1-phosphate	C6H15O9P	262.04538	http://www.hmdb.ca/metabolites/HMDB01530	HMDB	NA	NA
+HMDB05831	Sorbitol-6-phosphate	C6H15O9P	262.04538	http://www.hmdb.ca/metabolites/HMDB05831	HMDB	NA	NA
+HMDB01530	Mannitol 1-phosphate	C6H15O9P	262.04538	HMDB01530	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05831	Sorbitol-6-phosphate	C6H15O9P	262.04538	HMDB05831	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01530	Mannitol 1-phosphate	C6H15O9P	262.04538	NA	HMDB2010	NA	NA
+HMDB05831	Sorbitol-6-phosphate	C6H15O9P	262.04538	NA	HMDB2010	NA	NA
+C00644	D-Mannitol 1-phosphate	C6H15O9P	262.0454	NA	KEGG	NA	NA
+C01096	Sorbitol 6-phosphate	C6H15O9P	262.0454	NA	KEGG	NA	NA
+C02810	Alditol 6-phosphate	C6H15O9P	262.0454	NA	KEGG	NA	NA
+C06311	Galactitol 1-phosphate	C6H15O9P	262.0454	NA	KEGG	NA	NA
+CJneg0477	Isoferulic acid [(M-H)+(HCOONa)]-	C11H10NaO6	262.045925	C18rt(min)=6.64 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0477	Isoferulic acid [(M-H)+(HCOONa)]-	C11H10NaO6	262.045925	C18rt(min)=6.64 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ017777	N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea 	C8H11ClN4O4	262.046882	NA	MeJP	NA	NA
+C09951	Maclurin	C13H10O6	262.0477	NA	KEGG	NA	NA
+C16264	2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate	C13H10O6	262.0477	NA	KEGG	NA	NA
+MJ017778	2,3',4,4',6-Pentahydroxybenzophenone 	C13H10O6	262.047738	NA	MeJP	NA	NA
+MJ017779	2,3',4,5',6-Pentahydroxybenzophenone 	C13H10O6	262.047738	NA	MeJP	NA	NA
+MJ017780	7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid; Ac, Me ester 	C13H10O6	262.047738	NA	MeJP	NA	NA
+MJ017781	Ammiol; O4-De-Me 	C13H10O6	262.047738	NA	MeJP	NA	NA
+MJ017782	Antibiotic LL-Z1640-7 	C13H10O6	262.047738	NA	MeJP	NA	NA
+MJ017783	Leucohymenoquinone 	C13H10O6	262.047738	NA	MeJP	NA	NA
+MetaCyc02369	2-hydroxy-6-(2-carboxyphenyl)-6-oxo-2,4-hexadienoate [2-hydroxy-6-(2-carboxyphenyl)-6-oxo-2,4-hexadienoic acid;]	C13H10O6	262.047738	NA	metacyc	NA	NA
+MJ017784	Clonixin 	C13H11ClN2O2	262.050905	NA	MeJP	NA	NA
+MJ017785	5-(Methoxymethyl)-4-[(methylsulfonyl)methyl]-1,2,3-benzenetriol 	C10H14O6S	262.051108	NA	MeJP	NA	NA
+MJ017786	Cinoxacin 	C12H10N2O5	262.058971	NA	MeJP	NA	NA
+C08052	Cinoxacin	C12H10N2O5	262.059	NA	KEGG	NA	NA
+C16633	5-Fluorouridine	C9H11FN2O6	262.0601	NA	KEGG	NA	NA
+MJ017787	5-Fluorouridine 	C9H11FN2O6	262.060114	NA	MeJP	NA	NA
+MJ017788	Antibiotic NK 901093A 	C10H15O6P	262.060624	NA	MeJP	NA	NA
+FL1A19NF0001	Furano[2'',3'':6,7]aurone	C17H10O3	262.06299	61755-74-6	knapsack	NA	NA
+MJ017789	2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one 	C17H10O3	262.062994	NA	MeJP	NA	NA
+MJ017790	Lanceolatin B 	C17H10O3	262.062994	NA	MeJP	NA	NA
+MJ017791	1,3,4,6-Hexanetetracarboxylic acid 	C10H14O8	262.068867	NA	MeJP	NA	NA
+MetaCyc02370	hexane-1,3,4,6-tetracarboxylate [HTCA;]	C10H14O8	262.068867	NA	metacyc	NA	NA
+MJ017792	Carbadox 	C11H10N4O4	262.070204	NA	MeJP	NA	NA
+MJ017793	Indigotin 	C16H10N2O2	262.074227	NA	MeJP	NA	NA
+MJ017794	Indirubin 	C16H10N2O2	262.074227	NA	MeJP	NA	NA
+MJ017795	Sampangine; 3-Methoxy 	C16H10N2O2	262.074227	NA	MeJP	NA	NA
+MJ017796	Sampangine; 4-Methoxy 	C16H10N2O2	262.074227	NA	MeJP	NA	NA
+MJ017797	Sampangine; 9-Methoxy 	C16H10N2O2	262.074227	NA	MeJP	NA	NA
+MJ017798	Antibiotic SF 2738C 	C13H14N2O2S	262.077598	NA	MeJP	NA	NA
+MJ017799	Benzylsulfamide 	C13H14N2O2S	262.077598	NA	MeJP	NA	NA
+MJ017800	p-Sulfanilylbenzylamine 	C13H14N2O2S	262.077598	NA	MeJP	NA	NA
+CJpos0660	Pseudouridine [(M+H)+(H2O)]+	C9H15N2O7	262.079575	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0660	Pseudouridine [(M+H)+(H2O)]+	C9H15N2O7	262.079575	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ017801	N?-Glutamylaspartic acid; L-L-form 	C9H14N2O7	262.0801	NA	MeJP	NA	NA
+MJ017802	N?-Glutamylaspartic acid; L-L-form 	C9H14N2O7	262.0801	NA	MeJP	NA	NA
+MJ017803	Succinamopine 	C9H14N2O7	262.0801	NA	MeJP	NA	NA
+PJ000118	DE 	C9H14N2O7	262.0801	NA	PeJP	NA	NA
+HMDB11164	L-beta-aspartyl-L-glutamic acid	C9H14N2O7	262.080109	NA	HMDB2010	NA	NA
+MJ017804	2,2',3,3'-Tetrahydroxy-5,5'-dimethyldiphenyl ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017805	2,2',3,6'-Tetrahydroxy-4',5-dimethyldiphenyl ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017806	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017807	2,4,7,8-Tetrahydroxy-6-methyl-1-naphthalenecarboxaldehyde; 4,7-Di-Me ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017808	2,5,7-Trihydroxy-3-isopropyl-1,4-naphthoquinone; 7-Me ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017809	2,6,7-Trihydroxy-3-methyl-1,4-naphthoquinone; Tri-Me ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017810	2,7,8-Trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 2'-Hydroxy, 7,8-di-Me ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017811	2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017812	3-Ethyl-5-hydroxy-2,6,7-trimethoxy-1,4-naphthoquinone; 6-Demethoxy 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017813	4,5,6,8-Tetrahydroxy-2-naphthalenecarboxaldehyde; 4,6,8-Tri-Me ether 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017814	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-3-methyl-2-butenyl) 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017815	6-Acetyl-2-isopropenyl-8-methoxy-4H-1,3-benzodioxin-4-one 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017816	6-Ethyl-5-hydroxy-2,7-dimethoxynaphthoquinone 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017817	Buntansin B 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017818	Celereoin 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017819	Chaetoatrosin A 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017820	Dihydrooroselol, 4'-Hydroxy 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017821	Hermandiol 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017822	Itaconitin 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017823	Khellactone 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017824	Obliquin hydrate 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017825	Peucedanol, 2'-Ketone 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017826	Pterybinthinone 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017827	Rutaretin 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017828	Sporostatin 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017829	Suberenone; 1',2'-Dihydro, 2'-hydroxy 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017830	Vaginidiol 	C14H14O5	262.084123	NA	MeJP	NA	NA
+MJ017831	N2-Asparaginyl-N2-hydroxyasparagine 	C8H14N4O6	262.091334	NA	MeJP	NA	NA
+MJ017832	6-Hydroxytryptophan; N?-Ac 	C13H14N2O4	262.095356	NA	MeJP	NA	NA
+MJ017833	Chicamycin B 	C13H14N2O4	262.095356	NA	MeJP	NA	NA
+MJ017834	Konbamidin 	C13H14N2O4	262.095356	NA	MeJP	NA	NA
+MJ017835	Neothramycin A 	C13H14N2O4	262.095356	NA	MeJP	NA	NA
+MJ017836	Pidolacetamol 	C13H14N2O4	262.095356	NA	MeJP	NA	NA
+MJ017837	Pukeleimide, ?10,13-Isomer, 13-deoxy 	C13H14N2O4	262.095356	NA	MeJP	NA	NA
+MJ017838	1,2-Dihydro-3-phenyl-1,2-acenaphthylenediol 	C18H14O2	262.099379	NA	MeJP	NA	NA
+MJ017839	Xerulin 	C18H14O2	262.099379	NA	MeJP	NA	NA
+MJ017840	2-(2-Heptynylthio)phenol; Ac 	C15H18O2S	262.10275	NA	MeJP	NA	NA
+MJ017841	8-Decene-4,6-diyn-1-ol, 3-(Methylthio)-2-butenoyl(Z-) 	C15H18O2S	262.10275	NA	MeJP	NA	NA
+MJ017842	9-(2-Thienyl)-4,6-nonadien-8-yn-1-ol; Deoxy, 3-acetoxy, 4,5-dihydro 	C15H18O2S	262.10275	NA	MeJP	NA	NA
+MJ017843	[5-(5-Methylthien-2-yl)-2-penten-4-ynyl] 3-methylbutanoate 	C15H18O2S	262.10275	NA	MeJP	NA	NA
+HMDB00940	Threonolactone	C10H22O4Si2	262.10565	http://www.hmdb.ca/metabolites/HMDB00940	HMDB	NA	NA
+HMDB00940	Threonolactone	C10H22O4Si2	262.10565	HMDB00940	PFEM_hmdb_metabocards_official	NA	NA
+7815	ACE inhibitor from chickpea legumin	MFDL	262.10965	MH2+	Inhouse_peptide	NA	peptide
+MJ017844	Cryptoheptine 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017845	Ellipticine; 12-Hydroxy 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017846	Ellipticine; 9-Hydroxy 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017847	Ellipticine; N2-Oxide 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017848	Homocryptolepinone 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017849	Olivacine; N-Oxide 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017850	Vittacarboline 	C17H14N2O	262.110613	NA	MeJP	NA	NA
+MJ017851	1-[1-(4-Fluorophenyl)ethyl]-1H-imidazole-5-carboxylic acid, Et ester 	C14H15FN2O2	262.111755	NA	MeJP	NA	NA
+MJ017852	16-Chloro-7,13,15-hexadecatriene-9,11-diyn-2-ol 	C16H19ClO	262.112442	NA	MeJP	NA	NA
+MJ017853	16-Chloro-7,13,15-hexadecatriene-9,11-diyn-3-ol 	C16H19ClO	262.112442	NA	MeJP	NA	NA
+MJ017854	Nopalinic acid 	C10H18N2O6	262.116486	NA	MeJP	NA	NA
+C01683	D-Ornaline	C10H18N2O6	262.1165	NA	KEGG	NA	NA
+3178	dipeptidyl-aminopeptidase IV inhibitor	FP	262.12	celiac toxic	Inhouse_peptide	NA	peptide
+3502	ACE inhibitor (BSA fr, 221-222)	FP	262.12	ACE inhibitor	Inhouse_peptide	NA	peptide
+C09344	Artemisin	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09396	Dihydrogriesenin	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09450	Farinosin	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09472	Grosshemin	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09473	Helenalin	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09504	Mexicanin I	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09508	Microhelenin A	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09523	Parthenin	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09552	Stramonin B	C15H18O4	262.1205	NA	KEGG	NA	NA
+C09701	Marasmic acid	C15H18O4	262.1205	NA	KEGG	NA	NA
+MJ017855	1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017856	1(10),4,11(13)-Germacratrien-12,8-olid-14-oic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017857	1,10-Epoxy-2-hydroxy-3,11(13)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017858	1,10-Epoxy-3-guaien-12,6-olide, ?4 Isomer, 3-oxo 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017859	1,10-Epoxy-3-hydroxy-4(15),11(13)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017860	1,10:3,4-Diepoxy-11(13)-guaien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017861	1,14-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017862	1,2-Epoxy-3-hydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017863	1,2:3,4-Diepoxy-11(13)-eudesmen-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017864	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017865	1,4-Dihydro-6,8-dihydroxy-1-methyl-3H-2-benzopyran-3-one; 5-(3-Methyl-2-butenyl) 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017866	1,4-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017867	1,4-Dihydroxy-2,11(13)-eudesmadien-12,6-olide, 1-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017868	1,4-Epidioxy-2,5-guaiadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017869	1,4-Epidioxy-2,9,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017870	1,5-Dihydroxy-2,4(15),11(13)-eudesmatrien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017871	1,5-Epoxy-6-hydroxy-4(15),10(14),11(13)-germacratrien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017872	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017873	1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017874	1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017875	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017876	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 1''-Ac 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017877	1-Hydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017878	1-Hydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017879	1-Hydroxy-3,9,11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017880	1-Hydroxy-3-oxo-4,11(13)-eudesmadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017881	1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017882	1-Oxo-2,4-eudesmadien-12,6-olide, 4?,5?-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017883	10,14-Epoxy-4-oxo-11(13)-pseudoguaien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017884	10,14-Epoxy-4-oxo-12,6-pseudoguaianolide; 1,2-Didehydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017885	10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017886	10-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017887	11(13)-Epoxy-4-oxo-2-pseudoguaien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017888	11,13-Epoxy-3-hydroxy-4(15),10(14)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017889	11-Hydroxy-3-oxo-1,4(15)-eudesmadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017890	11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017891	14,15-Epoxy-14-hydroxy-3,5(15)-isocedradien-12-oic acid; 14?-form 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017892	14-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017893	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Carboxylic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017894	15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-Carboxylic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017895	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017896	15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017897	2,14-Dioxo-3-guaien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017898	2,3,3a,9a-Tetrahydro-9-hydroxy-2-(1-hydroxy-1-methylethyl)naphtho[2,3-b]furan-4(9H)-one 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017899	2,3-Dihydro-5,7-dihydroxy-2-isopropenyl-6-(2-methylpropenoyl)benzofuran 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017900	2,3-Dihydroxy-1(10),7(11),8-eremophilatrien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017901	2,5-Dihydroxy-1(10),3-guaiadien-12,6-olide, 2-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017902	2,6,10-Farnesatriene-1,15:13,9-diolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017903	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017904	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-tigloyl 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017905	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-angeloyl 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017906	2-Hydroxy-3-methylbutanoic acid, O-Cinnamoyl, Me ester 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017907	2-Hydroxy-3-oxo-1,11(13)-pseudoguaiadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017908	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 1?,10?-epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017909	3,15-Dihydroxy-4,11(13)-eudesmadien-12,8-olide; 3?-form, 3-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017910	3,4,4a,10a-Tetrahydro-4,10-dihydroxy-2,2-dimethyl-2H-naphtho[2,3-b]pyran-5-one 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017911	3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3-Ketone, 1,2-didehydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017912	3,4-Dihydroxy-5-prenylcinnamic acid, 3-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017913	3,4-Dioxo-1-pseudoguaien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017914	3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide, 10?,14-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017915	3,4-Epoxy-10(14),11(13)-guaiadien-12,6-olide, 10?,14-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017916	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017917	3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017918	3,4-Seco-10(14),11(13)-guaiadiene-3,4:12,6-diolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017919	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017920	3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 3-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017921	3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 12-Aldehyde 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017922	3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 3-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017923	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 3-ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017924	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017925	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 3-ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017926	3,9-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017927	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-angeloyl 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017928	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(3-Methyl-2-butenyl) 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017929	3-(4-Hydroxyphenyl)-2-propenal, 4'-O-[3-(Methoxycarbonyl)butyl] 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017930	3-Hydroxy-2-oxo-1(10),3,11(13)-eremophilatrien-12-oic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017931	3-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017932	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017933	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 4?,15-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017934	3-Hydroxy-8-oxo-2(9),6-lactaradien-5,14-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017935	3-Hydroxy-8-oxo-2(9),7(14)-illudadien-13-oic acid; 3?-form 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017936	3-Methyl-2-buten-1-ol; 4-Hydroxy-3-methoxy-E-cinnamoyl 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017937	3-Methyl-3-buten-1-ol; 4-Hydroxy-3-methoxycinnamoyl(E-) 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017938	3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 4?,15-Dihydro, 1?,2?-epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017939	3-Oxo-1,4(15),11(13)-eudesmatrien-12,8-olide, 4?,15-Dihydro, 1?,2?-epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017940	3-Oxo-1,9,11(13)-eremophilatrien-12-oic acid; 9?,10?-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017941	3-Oxo-1,9,11(13)-eremophilatrien-12-oic acid; 9?,10?-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017942	3-[2,3-Dihydro-2-(2-hydroxy-1-methylethyl)-5-benzofuranyl]-2-propenoic acid, Me ester 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017943	3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-2-propenoic acid, Me ester 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017944	4,5-Dihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017945	4,5-Epoxy-1-hydroxy-10(14),11(13)-germacradien-12,6-olide, 1-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017946	4,5-Epoxy-1-hydroxy-2,11(13)-eudesmadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017947	4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, 9-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017948	4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 6-O-(3-Methyl-2-butenyl), 4-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017949	4,8-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017950	4-Hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017951	4-Isocedren-15,14-olid-12-oic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017952	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 1?,5?-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017953	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 1?,5?-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017954	4-Oxo-7(11)-pseudoguaien-12,6-olide, 13-Hydroxy, 2,3-didehydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017955	5,14-Epoxy-13-hydroxy-2,5,7(14)-illudalatrien-4-oic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017956	5,6,7,8-Tetrahydroyangonin 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017957	5-Acetyl-2,3-dihydro-6,7-dihydroxy-2-isopropenylbenzofuran; Di-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017958	5-Hydroxy-1,8,9,10-tetrahydro-4,8,8-trimethyl-2H,4H-benzo[1,2-b:4,3-c]dipyran-2-one 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017959	5-Hydroxy-14-oxo-7-marasmen-15,5-olide; 5?-form 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017960	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017961	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017962	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, 11?,13-dihydro, lactone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017963	5-Hydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017964	5-Hydroxy-7-methoxy-2-pentyl-4H-1-benzopyran-4-one 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017965	6,12-Epoxy-7-hydroxy-9,11-eremophiladiene-1,8-dione 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017966	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017967	6,7-Epoxy-5-hydroxy-4(15)-hirsuten-12-oic acid, 5-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017968	6-Acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran; Di-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017969	6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran; Di-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017970	6-Acetyl-8-hydroxy-2,2-dimethyl-2H-1-benzopyran; 5-Methoxy, 8-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017971	6-Hydroxy-1,11(13)-pseudoguaiadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017972	6-Hydroxy-2-oxo-1(10),3-guaiadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017973	6-Hydroxy-3-oxo-4,11(13)-guaiadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017974	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017975	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017976	7(11)-Eremophilene-12,8:15,6-diolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017977	7-Eremophilene-12,8:15,6-diolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017978	7-Hydroxy-3-oxo-4,11(13)-eudesmadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017979	7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, 1',2'-Dihydro, 7-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017980	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-Pentyl 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017981	8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017982	8,14-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017983	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 15-aldehyde 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017984	8-Acetyl-5,7-dihydroxy-2,2-dimethylchromene; Di-Me ether 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017985	8-Hydroxy-1-oxo-2,4-eudesmadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017986	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017987	8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017988	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017989	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017990	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017991	8-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017992	9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 9-Ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017993	Adenostylide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017994	Cacalolide; 11Epimer, 11?-hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017995	Cacalolide; 11?-Hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017996	Cacalone; 6-Hydroperoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017997	Chloranthalactone D; 9?-Hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017998	Clavicoronic acid 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ017999	Confertdiolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018000	Cyclogregatin 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018001	Dihydrosterepolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018002	Drupanin; 2''R-Hydroxy, Me ester 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018003	Elemanschkuhriolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018004	Fomannosin 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018005	Griesenin; 2,3-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018006	Hyphodontal 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018007	Illicinone A, 11S,12-Epoxide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018008	Illicinone A, 2?,3-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018009	Illicinone A, ?10,11-Isomer, 12-hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018010	Ivaxillarin 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018011	Lagopodin A; 5-Hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018012	Leaianafulvene 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018013	Massarinolin A 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018014	Melicophyllone A; 7-Hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018015	Methyl demethoxywutaiensate 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018016	Mexicanin D 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018017	Microhelenin A 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018018	Nivefuranone A 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018019	Norpinguisone; 12-Carboxylic acid, Me ester 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018020	Osthenol; 2',3'-Dihydro, 3'-hydroxy, O7-Me 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018021	Pentalenolactone E 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018022	Pergillin; 2,10-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018023	Pinguisanolide; 4,15-Didehydro, 10,11-diepimer 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018024	Postiasecoguaianolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018025	Psilostachyin C; 1,10-Didehydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018026	Scabequinone, 2,3-Dihydro 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018027	Serratifolide A 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018028	Shizukanolide E 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018029	Shizukanolide F 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018030	Smyrnicordiolide; 8?-Hydroxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018031	Ursinanolide 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018032	Wutaiensol, 3'-Aldehyde 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018033	Wyerone acid, 8-Alcohol, 11,12-dihydro, Me ester 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018034	Zinnolide; 1-Deoxo, 3-ketone 	C15H18O4	262.120509	NA	MeJP	NA	NA
+MJ018035	Zinnolide; 3-Deoxy 	C15H18O4	262.120509	NA	MeJP	NA	NA
+2864	NA	YPFV	262.1255	MH2+	Inhouse_peptide	NA	peptide
+MJ018036	2-Amino-5-guanidino-3-hydroxypentanoic acid, N2-(2-Carboxyethyl) 	C9H18N4O5	262.127719	NA	MeJP	NA	NA
+C07844	Methohexital	C14H18N2O3	262.1317	NA	KEGG	NA	NA
+C07845	Transferred to D00712	C14H18N2O3	262.1317	NA	KEGG	NA	NA
+C09232	Physovenine	C14H18N2O3	262.1317	NA	KEGG	NA	NA
+MJ018037	Bohemamine 	C14H18N2O3	262.131742	NA	MeJP	NA	NA
+MJ018038	Cytisine, N-Ethoxycarbonyl 	C14H18N2O3	262.131742	NA	MeJP	NA	NA
+MJ018039	Letimide 	C14H18N2O3	262.131742	NA	MeJP	NA	NA
+MJ018040	Methohexital 	C14H18N2O3	262.131742	NA	MeJP	NA	NA
+MJ018041	Physovenine 	C14H18N2O3	262.131742	NA	MeJP	NA	NA
+HMDB11177	L-phenylalanyl-L-proline	C14H18N2O3	262.131744	NA	HMDB2010	NA	NA
+HMDB11179	L-prolyl-L-phenylalanine	C14H18N2O3	262.131744	NA	HMDB2010	NA	NA
+PJ000119	PF 	C14H18N2O3	262.1318	NA	PeJP	NA	NA
+PJ000120	LM 	C11H22N2O3S	262.1351	NA	PeJP	NA	NA
+MJ018042	1,7-Diphenyl-4,6-heptadien-3-one 	C19H18O	262.135765	NA	MeJP	NA	NA
+MJ018043	Streptidine 	C8H18N6O4	262.138953	NA	MeJP	NA	NA
+C00837	Streptidine	C8H18N6O4	262.139	NA	KEGG	NA	NA
+C00839	Tropomyosin	C4H6N2O3R2	262.139	NA	KEGG	NA	NA
+C00840	Vasopressin	C4H6N2O3R2	262.139	NA	KEGG	NA	NA
+MJ018044	Furodysinin, 14-(Methylthio) 	C16H22OS	262.139136	NA	MeJP	NA	NA
+MJ018045	1,2:15,16-Diepoxy-4,7,10,13-tetraoxahexadecane 	C12H22O6	262.141638	NA	MeJP	NA	NA
+MJ018046	2-Hexen-1-ol, O-?-D-Glucopyranoside 	C12H22O6	262.141638	NA	MeJP	NA	NA
+MJ018047	3-Hexen-1-ol, O-?-D-Glucopyranoside 	C12H22O6	262.141638	NA	MeJP	NA	NA
+MJ018048	Phaseolic acid 	C12H22O6	262.141638	NA	MeJP	NA	NA
+MJ018049	1-Benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 	C18H18N2	262.146998	NA	MeJP	NA	NA
+MJ018050	Cibenzoline 	C18H18N2	262.146998	NA	MeJP	NA	NA
+MJ018051	3,4-Dihydroellipticine; N2-Me 	C18H19N2(+)	262.146998	NA	MeJP	NA	NA
+MJ018052	11-Hydroxy-1,3,5,9-bisabolatetraen-15-oic acid; Me ester 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018053	11-Oxo-5-silphiperfolen-13-oic acid; Me ester 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018054	2,15-Dihydroxy-1,4,6-eudesmatrien-3-one; 2-Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018055	2,5-Dihydroxy-15-calamenenal, 2-Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018056	2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; ?1'-Isomer(E-), 3'-hydroxy 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018057	2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; ?1'-Isomer(Z-), 3'-hydroxy 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018058	3,14-Calamenenediol; 14-Carboxylic acid, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018059	3,3,5-Trimethylcyclohexanol; O-(2-Hydroxybenzoyl) 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018060	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12-oic acid, Me ester 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018061	3-Hydroxy-4,11(13)-guaiadien-12,8-olide, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018062	3-Hydroxy-4,11(13)-guaiadien-12,8-olide, 3-Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018063	3-Oxo-4,11(13)-guaiadien-12-oic acid, Me ester 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018064	4,5,6,9,10,10a-Hexahydro-10a-hydroxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one; Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018065	4-Hydroxy-10(14),11(13)-guaiadien-12,6-olide, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018066	5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid, 7,8-Dihydro, Me ester 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018067	5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-(3-methyl-2-butenyl) 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018068	5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018069	7-Oxo-5,10-pinguisadien-12-oic acid; Me ester 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018070	8,12-Epoxy-2-hydroxy-1(10),7,11-germacratrien-6-one, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018071	8-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018072	8-Hydroxy-4,7(11)-guaiadien-12,8-olide, Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018073	Alliodorol 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018074	Antibiotic A 82775C 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018075	Cordiol A 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018076	Cyercene A 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018077	Fencibutirol 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018078	Furanoeremophil-1(10)-ene-4,6-diol, 6-Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018079	Furodysinin lactone; Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018080	Montiporic acid B 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018081	Placidene A 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018082	Primnatrienone; 6-Methoxy, 3-hydroxy 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018083	Pterosin D, 4-Me ether 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018084	Pterosin K, Dechloro, 4-methoxy 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018085	Sporochnol C; 6',7'-Epoxide 	C16H22O3	262.156894	NA	MeJP	NA	NA
+MJ018086	Versiol 	C16H22O3	262.156894	NA	MeJP	NA	NA
+C18132	3''-Hydroxy-geranylhydroquinone	C16H22O3	262.1569	NA	KEGG	NA	NA
+3742	NA	PKAIP	262.1595	MH2+	Inhouse_peptide	NA	peptide
+C10754	Argyrolobine	C15H22N2O2	262.1681	NA	KEGG	NA	NA
+MJ018087	1,2,3,4-Tetrahydro-8-(2-morpholinylmethoxy)quinoline, N-Me 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018088	10,17-Dioxosparteine 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018089	17-Oxolupanine 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018090	?-Isosparteine, 10,17-Dioxo 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018091	Allomatrine, 13-Oxo 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018092	Alprenoxime 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018093	Angustifoline, N-Formyl 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018094	Aphyllidine, 13S-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018095	Aphyllidine, 2R-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018096	Aphyllidine, 2S-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018097	Aphyllidine, 2?-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018098	Lehmannine; N'?-Oxide 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018099	Leontalbine, 1S-Oxide 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018100	Leontalbinine; 13-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018101	Leontalbinine; N1-Oxide 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018102	Mamanine 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018103	Mepindolol 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018104	Mixidine 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018105	Multiflorine; 13?-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018106	Multiflorine; 13?-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018107	Multiflorine; 16-N-Oxide 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018108	Penirolol 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018109	Sophocarpine; 1-Oxide 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018110	Sophocarpine; 12?-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018111	Sophocarpine; 5-Epimer, 1-oxide 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018112	Sophocarpine; 5-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018113	Sophocarpine; 9?-Hydroxy 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018114	Termine 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018115	Tetrahydrocytisine; 11-Oxo, N-(3-butenyl) 	C15H22N2O2	262.168127	NA	MeJP	NA	NA
+MJ018116	Diptamine 	C12H26N2O2S	262.171498	NA	MeJP	NA	NA
+MJ018117	1(10),11(13)-Eremophiladien-12-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018118	1(10),4,7(11)-Germacratrien-9-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018119	1(10)-Aristolen-12-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018120	1,3(15),6-Humulatrien-14-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018121	1,4,9-Heptadecatrien-6-yne-3,8-diol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018122	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 1,2-Dihydro 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018123	1-Heptadecene-4,6-diyne-3,9-diol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018124	10,16-Heptadecadien-8-ynoic acid 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018125	14,15,16-Trinor-11-labden-13,8-olide; 8?-form 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018126	2,6,10-Bisabolatrien-9-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018127	2,6,9-Humulatrien-14-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018128	2,7(14),10-Bisabolatrien-12-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018129	2-Isocomen-14-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018130	2-Isocomen-9-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018131	2-Modhephen-12-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018132	2-Modhephen-13-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018133	2-Modhephen-15-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018134	2-Sterpuren-6-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018135	3(15),6-Caryophylladien-12-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018136	3(15),7(14)-Caryophylladien-6-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018137	3,11-Eudesmadien-6-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018138	3,5,10-Bisabolatrien-12-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018139	3,7(14)-Caryophylladien-6-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018140	3-(11-Dodecenyl)-5-methyl-2(5H)-furanone, 11,12-Didehydro 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018141	4(15),5,10(14)-Germacratrien-1-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018142	4,11(13)-Cadinadien-12-ol; Stereoisomer, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018143	4,11-Cadinadien-15-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018144	4,6-Cadinadiene, 12-Acetoxy 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018145	4,7(11)-Muuroladien-12-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018146	4-Aromadendren-8-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018147	4-Patchoulen-15-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018148	5,7(11)-Eudesmadien-14-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018149	5,7(11)-Eudesmadien-8-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018150	5,7-Eudesmadien-11-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018151	5-(3-Undecenyl)-1,3-benzenediol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018152	5-Pentyl-2-prenyl-1,3-benzenediol; 3-Me ether 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018153	6,10(14)-Guaiadien-4-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018154	6,9,12,15-Hexadecatetraenoic acid, Me ester 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018155	7(15)-Sinularen-12-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018156	8-Heptadecene-4,6-diyne-1,10-diol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018157	9,10-Epoxy-4,6-heptadecadiyn-3-ol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018158	9-Heptadecene-4,6-diyn-3-one, 9R,10S-Epoxide, 3-alcohol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018159	9-Heptadecene-4,6-diyne-1,8-diol 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018160	Antibiotic PI 201; Lactone 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018161	Bicyclogermacren-3-ol, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018162	Coralloidin B 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018163	Cyclosinularan-12-ol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018164	Dactylenol; Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018165	Ginsenoyne I 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018166	Hamabiwalactone A; 16,17-Dihydro 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018167	Sesquisabinene; 12-Acetoxy 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018168	Sesquisabinene; 13-Acetoxy 	C17H26O2	262.19328	NA	MeJP	NA	NA
+MJ018169	Tochuinol; 1,4-Dihydro, Ac 	C17H26O2	262.19328	NA	MeJP	NA	NA
+C09860	Cernuine	C16H26N2O	262.2045	NA	KEGG	NA	NA
+MJ018170	Lycocernuine; Deoxy 	C16H26N2O	262.204513	NA	MeJP	NA	NA
+MJ018171	13-Methyl-7-podocarpen-13-ol; 13?-form 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018172	14,15-Dinor-3,11-clerodadien-13-one; ent-form, 11,12-Dihydro 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018173	14,15-Dinor-4(18)-cleroden-13-one; ent-form 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018174	14,15-Dinor-7-labden-13-one 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018175	14,15-Dinor-8(17)-labden-13-one; ent-form 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018176	6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018177	9,12,15-Octadecatrienal 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018178	9-Isopropyl-6,12-dimethyl-5,10,12-tridecatrien-2-one 	C18H30O	262.229665	NA	MeJP	NA	NA
+MJ018179	Muquketone 	C18H30O	262.229665	NA	MeJP	NA	NA
+C14245	4-Dodecylphenol	C18H30O	262.2297	NA	KEGG	NA	NA
+MJ018180	1,10,13,16-Nonadecatetraene, 16,17-Dihydro 	C19H34	262.266051	NA	MeJP	NA	NA
+MJ018181	3,6,9-Nonadecatriene 	C19H34	262.266051	NA	MeJP	NA	NA
+MJ018182	Fichtelite 	C19H34	262.266051	NA	MeJP	NA	NA
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	262.4467165	MH2+	Inhouse_peptide	NA	peptide
+MJ018183	7-Bromo-2,3-dichloro-1H-indole 	C8H4BrCl2N	262.890417	NA	MeJP	NA	NA
+MJ018184	(4-Hydroxy-3-nitrophenyl)arsonic acid 	C6H6AsNO6	262.941108	NA	MeJP	NA	NA
+C14228	Methyl parathion	C8H10NO5PS	263.0017	NA	KEGG	NA	NA
+MJ018185	Amfecloral 	C11H12Cl3N	263.003532	NA	MeJP	NA	NA
+MJ018186	8-Chloro-2,3-dihydropyridazino[4,5-b]quinoline-1,4-dione; N5-Oxide 	C11H6ClN3O3	263.009768	NA	MeJP	NA	NA
+MJ018187	1-Ribofuranosyl-1H-pyrrole-2,5-dione; ?-D-form, 3-Chloro 	C9H10ClNO6	263.019664	NA	MeJP	NA	NA
+MJ018188	1-Nitro-2-(phenylthio)benzene; S,S-Dioxide 	C12H9NO4S	263.025228	NA	MeJP	NA	NA
+MJ018189	Olpadronic acid 	C5H15NO7P2	263.032374	NA	MeJP	NA	NA
+MJ018190	7-Chloro-3-(cyclopropylcarbonyl)-4-hydroxy-2(1H)-quinolinone 	C13H10ClNO3	263.03492	NA	MeJP	NA	NA
+MJ018191	Merbarone 	C11H9N3O3S	263.036461	NA	MeJP	NA	NA
+CJneg0478	p-Hydroxyhippuric acid [(M-H)+(HCOONa)]-	C10H9NNaO6	263.041125	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0478	p-Hydroxyhippuric acid [(M-H)+(HCOONa)]-	C10H9NNaO6	263.041125	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ018192	Miloxacin 	C12H9NO6	263.042987	NA	MeJP	NA	NA
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.046356	NA	HMDB2010	NA	NA
+HMDB02194	N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine	C9H13NO6S	263.046356	NA	HMDB2010	NA	NA
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB01876	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB01876	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB01876	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB01876	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB01876	HMDB	NA	NA
+HMDB02194	N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB02194	HMDB	NA	NA
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	http://www.hmdb.ca/metabolites/HMDB01876	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01876	Epinephrine sulfate	C9H13NO6S	263.04636	HMDB01876	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02194	N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine	C9H13NO6S	263.04636	HMDB02194	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0479	Isoferulic acid [(M-H)+(HCOONa)]- (13C)	C1013CH10NaO6	263.049225	C18rt(min)=6.64 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0479	Isoferulic acid [(M-H)+(HCOONa)]- (13C)	C1013CH10NaO6	263.049225	C18rt(min)=6.64 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C07140	Ticlopidine	C14H14ClNS	263.0535	NA	KEGG	NA	NA
+MJ018193	Ticlopidine 	C14H14ClNS	263.053547	NA	MeJP	NA	NA
+MJ018194	N-(2-Phenylethyl)-N'-2-thiazolylthiourea 	C12H13N3S2	263.055088	NA	MeJP	NA	NA
+MJ018195	Aristolactam II 	C16H9NO3	263.058243	NA	MeJP	NA	NA
+MJ018196	Cepharadione B; 1-Demethoxy, O2,N-di-de-Me 	C16H9NO3	263.058243	NA	MeJP	NA	NA
+MJ018197	Hippadine 	C16H9NO3	263.058243	NA	MeJP	NA	NA
+MJ018198	Liriodendronine 	C16H9NO3	263.058243	NA	MeJP	NA	NA
+MJ018199	Ascorbalamic acid 	C9H13NO8	263.064116	NA	MeJP	NA	NA
+MJ018200	Clopirac 	C14H14ClNO2	263.071306	NA	MeJP	NA	NA
+MJ018201	Gemcitabine 	C9H11F2N3O4	263.071762	NA	MeJP	NA	NA
+C07650	Gemcitabine	C9H11F2N3O4	263.0718	NA	KEGG	NA	NA
+MJ018202	1,5-Dimethyl[1]benzothieno[2,3-g]isoquinoline 	C17H13NS	263.07687	NA	MeJP	NA	NA
+MJ018203	2,3,4,7,8-Quinolinepentol; 2,3-Methylene, 4,7,8-tri-Me ether 	C13H13NO5	263.079372	NA	MeJP	NA	NA
+MJ018204	Glycocitridine 	C13H13NO5	263.079372	NA	MeJP	NA	NA
+MJ018205	Dimethylthiambutene 	C14H17NS2	263.08024	NA	MeJP	NA	NA
+C12798	Tulobuterol hydrochloride	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12799	Transferred to D01363	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12800	Transferred to D01364	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12801	Transferred to D01365	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12802	Transferred to D01366	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12803	Transferred to D01367	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12804	Transferred to D01368	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12805	Transferred to D01369	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12806	Transferred to D01370	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12807	Transferred to D01371	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12808	Transferred to D01372	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12809	Transferred to D02397	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+C12810	Transferred to D01373	C12H18ClNO	263.0844	NA	KEGG	NA	NA
+MJ018206	4-Nitrotryptophan, N-Me 	C12H13N3O4	263.090605	NA	MeJP	NA	NA
+MJ018207	Olaquindox 	C12H13N3O4	263.090605	NA	MeJP	NA	NA
+PJ000121	NM 	C9H17N3O4S	263.094	NA	PeJP	NA	NA
+MJ018208	Anonaine, 6a,7-Didehydro 	C17H13NO2	263.094628	NA	MeJP	NA	NA
+MJ018209	Triclisine 	C17H13NO2	263.094628	NA	MeJP	NA	NA
+MJ018210	Tiflorex 	C12H16F3NS	263.095554	NA	MeJP	NA	NA
+MJ018211	Thiamine aldehyde 	C12H15N4OS	263.096656	NA	MeJP	NA	NA
+MetaCyc02371	thiamine-aldehyde []	C12H15N4O1S1	263.096657	NA	metacyc	NA	NA
+C05856	Thiamine aldehyde	C12H15N4OS	263.0967	NA	KEGG	NA	NA
+C05857	(Phosphoglyceryl)n-(Phosphoglyceryl)3-N-acetyl-beta-D-mannosaminyl-	C80H139N2O32P5	263.0967	NA	KEGG	NA	NA
+C05858	(Phosphoglycerylglycosyl)n-(Phosphoglyceryl)3-N-acetyl-beta-D-	C80H139N2O32P5	263.0967	NA	KEGG	NA	NA
+C05859	Dehydrodolichol diphosphate	C20H36O7P2	263.0967	NA	KEGG	NA	NA
+C05860	beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol	C42H74N2O22P2	263.0967	NA	KEGG	NA	NA
+C05861	alpha-D-Mannosyl-beta-D-mannosyl-	C48H84N2O27P2	263.0967	NA	KEGG	NA	NA
+C05864	(alpha-D-Mannosyl)4-beta-D-mannosyl-	C66H114N2O42P2	263.0967	NA	KEGG	NA	NA
+C05868	(alpha-D-Mannosyl)8-beta-D-mannosyl-	C90H154N2O62P2	263.0967	NA	KEGG	NA	NA
+C05869	(alpha-D-Mannosyl)9-beta-D-mannosyl-	C90H154N2O62P2	263.0967	NA	KEGG	NA	NA
+C05883	Protein	C90H154N2O62P2	263.0967	NA	KEGG	NA	NA
+MJ018212	Neplanocin A 	C11H13N5O3	263.101839	NA	MeJP	NA	NA
+MJ018213	Neplanocin F 	C11H13N5O3	263.101839	NA	MeJP	NA	NA
+PJ000122	GST 	C9H17N3O6	263.1117	NA	PeJP	NA	NA
+MJ018214	Flunamine 	C15H15F2NO	263.11217	NA	MeJP	NA	NA
+MJ018215	Echiguanine A 	C10H13N7O2	263.113072	NA	MeJP	NA	NA
+2847	NA	YPFT	263.115	MH2+	Inhouse_peptide	NA	peptide
+MJ018216	1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline; 1,2,3,4-Tetradehydro 	C14H17NO4	263.115758	NA	MeJP	NA	NA
+MJ018217	Anhalonine, N-Ac 	C14H17NO4	263.115758	NA	MeJP	NA	NA
+MJ018218	Campedine 	C14H17NO4	263.115758	NA	MeJP	NA	NA
+MJ018219	Peyoglutam 	C14H17NO4	263.115758	NA	MeJP	NA	NA
+MJ018220	Valine, N-(4-Hydroxycinnamoyl) 	C14H17NO4	263.115758	NA	MeJP	NA	NA
+MetaCyc02372	N(&alpha;)-benzyloxycarbonyl-L-leucine []	C14H17N1O4	263.115758	NA	metacyc	NA	NA
+C16594	7-Mercaptoheptanoylthreonine	C11H21NO4S	263.1191	NA	KEGG	NA	NA
+MJ018221	1-Isothiocyanato-4,5,6,7-decanetetrol 	C11H21NO4S	263.119128	NA	MeJP	NA	NA
+MetaCyc02373	7-mercaptoheptanoylthreonine []	C11H21N1O4S1	263.119129	NA	metacyc	NA	NA
+MJ018222	2,8-Decadiene-4,6-diynoic acid, 2-Phenylethylamide 	C18H17NO	263.131014	NA	MeJP	NA	NA
+MJ018223	2-Decene-6,8-diynoic acid, 2-Phenylethenylamide, (E-) 	C18H17NO	263.131014	NA	MeJP	NA	NA
+MJ018224	Eustifoline A 	C18H17NO	263.131014	NA	MeJP	NA	NA
+MJ018225	Girinimbine 	C18H17NO	263.131014	NA	MeJP	NA	NA
+MJ018226	Lansamide I 	C18H17NO	263.131014	NA	MeJP	NA	NA
+MJ018227	13-Amino-1,4,5,6,7,8-hexahydro-8-methyl-2,8-methano-2H-3-benzothiecin-10-ol 	C15H21NOS	263.134384	NA	MeJP	NA	NA
+C14571	Dimepiperate	C15H21NOS	263.1344	NA	KEGG	NA	NA
+MJ018228	Brevicolline, Didehydro 	C17H17N3	263.142247	NA	MeJP	NA	NA
+MJ018229	Cloquinozine 	C16H22ClN	263.144077	NA	MeJP	NA	NA
+MJ018230	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Di-Me ether, 2-methylpropylamide 	C15H21NO3	263.152143	NA	MeJP	NA	NA
+MJ018231	Alkaloid S-F 	C15H21NO3	263.152143	NA	MeJP	NA	NA
+MJ018232	Hydroxypethidine 	C15H21NO3	263.152143	NA	MeJP	NA	NA
+MJ018233	Metostilenol 	C15H21NO3	263.152143	NA	MeJP	NA	NA
+MJ018234	Pleurospermine; Me ether 	C15H21NO3	263.152143	NA	MeJP	NA	NA
+MJ018235	Pyridoxatin 	C15H21NO3	263.152143	NA	MeJP	NA	NA
+MJ018236	1-(2-Dimethylaminoethyl)-1-phenyl-1H-indene 	C19H21N	263.167399	NA	MeJP	NA	NA
+MJ018237	3-(Diphenylmethylene)pyrrolidine; N-Et 	C19H21N	263.167399	NA	MeJP	NA	NA
+MJ018238	Nortriptyline 	C19H21N	263.167399	NA	MeJP	NA	NA
+MJ018239	Protriptyline 	C19H21N	263.167399	NA	MeJP	NA	NA
+C07274	Nortriptyline	C19H21N	263.1674	NA	KEGG	NA	NA
+C07408	Protriptyline	C19H21N	263.1674	NA	KEGG	NA	NA
+C16660	2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline	C19H21N	263.1674	NA	KEGG	NA	NA
+MJ018240	Melperone 	C16H22FNO	263.168542	NA	MeJP	NA	NA
+MJ018241	1-Isothiocyanato-4-muurolene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018242	1-Isothiocyanatoaromadendrane 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018243	10-Isocyano-6-guaiene; 10-Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018244	10-Isothiocyanato-4-amorphene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018245	11-Formamido-5-eudesmene, Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018246	12-Isothiocyanato-5-eudesmene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018247	2-Isothiocyanato-6-axene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018248	2-Isothiocyanatotrachyopsane 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018249	2-Thiocyanatoneopupukaenane 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018250	2-Thiocyanatopupukeanane 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018251	4-Isothiocyanato-1-cadinene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018252	4-Isothiocyanato-11-eudesmene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018253	4-Isothiocyanato-9-amorphene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018254	4-Thiocyanato-9-cadinene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018255	4-Thiocyanatoneopupukaenane 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018256	6-Isodaucene 14-isonitrile; Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018257	6-Isothiocyanato-4(15)-eudesmene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018258	7-Isothiocyanato-11-oppositene 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018259	Acanthisonitrile 3; Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018260	Agelasidine A 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018261	Aromadendrane 1-isonitrile, Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018262	Asmarine B 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018263	Axamide 1; Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018264	Axamide 2, 1-Epimer, isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018265	Axamide 2, Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018266	Axamide 2, 1-Epimer, isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018267	Axamide 3; Isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018268	Cavernothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018269	Epipolasin A 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018270	Epipolasin B 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018271	Gacyclidine 	C16H25NS	263.17077	NA	MeJP	NA	NA
+MJ018272	Theonelline isothiocyanate 	C16H25NS	263.17077	NA	MeJP	NA	NA
+C17007	Axisothiocyanate 3	C16H25NS	263.1708	NA	KEGG	NA	NA
+MJ018273	2-(3,6-Dihydroxyheptyl)-3,4-dihydroxy-5-hydroxymethylpyrrolidine 	C12H25NO5	263.173272	NA	MeJP	NA	NA
+HMDB13132	Hydroxyvalerylcarnitine	C12H25NO5	263.173279	NA	HMDB2010	NA	NA
+C13729	Pinacidil	C13H19N5	263.1746	NA	KEGG	NA	NA
+C07153	Tramadol	C16H25NO2	263.1885	NA	KEGG	NA	NA
+C07154	Transferred to D00383	C16H25NO2	263.1885	NA	KEGG	NA	NA
+C09851	Annofoline	C16H25NO2	263.1885	NA	KEGG	NA	NA
+C09864	Fawcettimine	C16H25NO2	263.1885	NA	KEGG	NA	NA
+C09943	Dendrobine	C16H25NO2	263.1885	NA	KEGG	NA	NA
+MJ018274	2,4,8,10-Dodecatetraenoic acid; N-2-Hydroxy-2-methylpropylamide 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018275	2,6,8,10-Dodecatetraenoic acid, 2-Hydroxy-2-methylpropylamide 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018276	3,6-Epoxydodecanoic acid pyrrolide 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018277	3-Formamido-7(14),9-bisaboladien-8-ol; 8-Ketone 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018278	Asaramide 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018279	Butetamate 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018280	Cyclexanone 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018281	Dendrobine 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018282	Fawcettiine, O-De-Ac, 5-ketone 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018283	Fawcettiine, O-De-Ac, 8-ketone 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018284	Fawcettimine; Natural-form 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018285	Flabelliformine 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018286	Lucidioline 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018287	Lycoclavine; O-De-Ac, 5-ketone 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018288	Lycodoline 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018289	Lycofoline 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018290	Lyconnotinol 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018291	Lycopecurine; 2?-Hydroxy 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018292	Lycoserramine 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018293	Serratinine, 8-Deoxy 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018294	Tramadol 	C16H25NO2	263.188529	NA	MeJP	NA	NA
+MJ018295	Caproxamine 	C15H25N3O	263.199762	NA	MeJP	NA	NA
+MJ018296	Ptilocaulin, 8b-Hydroxy 	C15H25N3O	263.199762	NA	MeJP	NA	NA
+MJ018297	Ptilocaulin, ?8a,8b-Isomer, 8?-hydroxy, 3a,5a-diepimer, 	C15H25N3O	263.199762	NA	MeJP	NA	NA
+MJ018298	Recainam 	C15H25N3O	263.199762	NA	MeJP	NA	NA
+MJ018299	5-(2-Decenyl)indolizidine 	C18H33N	263.2613	NA	MeJP	NA	NA
+MJ018300	Villatamine A; 3',4'E, 7',8'-Tetrahydro 	C18H33N	263.2613	NA	MeJP	NA	NA
+3621	NA	RKPK	263.6705	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc02374	Fe3S3 iron-sulfur center [Fe3S3;Fe3S3 center;Fe3S3 cluster;Fe3S3 iron-sulfur cluster;]	S3FE3	263.721038	NA	metacyc	NA	NA
+MJ018301	Bromoiodoacetic acid 	C2H2BrIO2	263.828285	NA	MeJP	NA	NA
+MJ018302	2,6-Dibromo-1,4-benzoquinone 	C6H2Br2O2	263.842154	NA	MeJP	NA	NA
+C02575	Pentachlorophenol	C6HCl5O	263.847	NA	KEGG	NA	NA
+MJ018303	Pentachlorophenol 	C6HCl5O	263.847003	NA	MeJP	NA	NA
+MetaCyc02375	pentachlorophenol [PCP;]	C6H1O1CL5	263.847003	NA	metacyc	NA	NA
+MJ018304	2,4-Dibromophenol; Me ether 	C7H6Br2O	263.87854	NA	MeJP	NA	NA
+MJ018305	2,6-Dibromo-4-methylphenol 	C7H6Br2O	263.87854	NA	MeJP	NA	NA
+C11037	Chlorothalonil	C8Cl4N2	263.8816	NA	KEGG	NA	NA
+MJ018306	2-Bromo-6-chloro-1,4-benzenediol; 4-Ac 	C8H6BrClO3	263.918884	NA	MeJP	NA	NA
+MJ018307	2,3,5,7,9-Pentathiadecane 2,2-dioxide 	C5H12O2S5	263.944083	NA	MeJP	NA	NA
+MJ018308	Penthrichloral 	C7H11Cl3O4	263.972291	NA	MeJP	NA	NA
+HMDB01464	1-Methylnicotinamide iodide	C7H9IN2O	263.97595	http://www.hmdb.ca/metabolites/HMDB01464	HMDB	NA	NA
+HMDB01464	1-Methylnicotinamide iodide	C7H9IN2O	263.97595	HMDB01464	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01464	1-Methylnicotinamide iodide	C7H9IN2O	263.975952	NA	HMDB2010	NA	NA
+MJ018309	Pralidoxime(1+); Iodide 	C7H9IN2O	263.975956	NA	MeJP	NA	NA
+MJ018310	6-Bromo-2-chloro-1,4-epoxy-3(8)-ochtodene 	C10H14BrClO	263.991655	NA	MeJP	NA	NA
+MJ018311	Chondrocole A 	C10H14BrClO	263.991655	NA	MeJP	NA	NA
+MJ018312	3,4,5-Trihydroxybenzoic acid; 3-Me ether, 5-O-sulfate 	C8H8O8S	263.993987	NA	MeJP	NA	NA
+MJ018313	Cryptosporiopsin 	C10H10Cl2O4	263.995614	NA	MeJP	NA	NA
+MJ018314	Lachnumol A; 1-Ketone 	C10H10Cl2O4	263.995614	NA	MeJP	NA	NA
+MJ018315	Beckerelide; 4-Bromo 	C9H13BrO4	263.999721	NA	MeJP	NA	NA
+MJ018316	Chloralodol 	C8H15Cl3O3	264.008677	NA	MeJP	NA	NA
+MJ018317	5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin 	C10H16S4	264.013483	NA	MeJP	NA	NA
+MJ018318	3-Acetyl-5-[(4-fluorophenyl)methylene]-4-hydroxy-2(5H)-thiophenone 	C13H9FO3S	264.025643	NA	MeJP	NA	NA
+MJ018319	2-Acetyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone 	C12H8O7	264.027002	NA	MeJP	NA	NA
+MJ018320	3-Acetyl-2,5,6,7-tetrahydroxy-1,4-naphthoquinone 	C12H8O7	264.027002	NA	MeJP	NA	NA
+MJ018321	5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene; 2''-Hydroxy, 1''-alcohol 	C13H12O2S2	264.027871	NA	MeJP	NA	NA
+HMDB03332	3-Methoxy-4-Hydroxyphenylglycol Sulfate	C9H12O7S	264.03036	http://www.hmdb.ca/metabolites/HMDB03332	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00559	3-Methoxy-4-hydroxyphenylethyleneglycol sulfate	C9H12O7S	264.03036	http://www.hmdb.ca/metabolites/HMDB00559	HMDB	NA	NA
+HMDB03332	3-Methoxy-4-Hydroxyphenylglycol Sulfate	C9H12O7S	264.03036	http://www.hmdb.ca/metabolites/HMDB03332	HMDB	NA	NA
+HMDB03332	3-Methoxy-4-Hydroxyphenylglycol Sulfate	C9H12O7S	264.03036	http://www.hmdb.ca/metabolites/HMDB03332	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00559	3-Methoxy-4-hydroxyphenylethyleneglycol sulfate	C9H12O7S	264.03036	HMDB00559	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03332	3-Methoxy-4-Hydroxyphenylglycol Sulfate	C9H12O7S	264.03036	HMDB03332	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00559	3-Methoxy-4-hydroxyphenylethyleneglycol sulfate	C9H12O7S	264.030365	NA	HMDB2010	NA	NA
+HMDB03332	3-Methoxy-4-Hydroxyphenylglycol sulfate	C9H12O7S	264.030365	NA	HMDB2010	NA	NA
+MJ018322	Raluridine 	C9H10ClFN2O4	264.031312	NA	MeJP	NA	NA
+MJ018323	6-(1-Methyl-1,2,3-triazol-4-ylmethylene)penem-3-carboxylic acid 	C10H8N4O3S	264.03171	NA	MeJP	NA	NA
+MJ018324	8-Bromo-2,6-dimethyl-3,7-octadiene-2,5,6-triol 	C10H17BrO3	264.036107	NA	MeJP	NA	NA
+MJ018325	Pantofuranoid D 	C10H17BrO3	264.036107	NA	MeJP	NA	NA
+MJ018326	Pantoisofuranoid A 	C10H17BrO3	264.036107	NA	MeJP	NA	NA
+MJ018327	Ulbactin E 	C12H12N2OS2	264.039104	NA	MeJP	NA	NA
+MJ018328	Frutinone A 	C16H8O4	264.042258	NA	MeJP	NA	NA
+C09008	Frutinone A	C16H8O4	264.0423	NA	KEGG	NA	NA
+CJneg0481	p-Hydroxyhippuric acid [(M-H)+(HCOONa)]- (13C)	C913CH9NNaO6	264.044525	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0481	p-Hydroxyhippuric acid [(M-H)+(HCOONa)]- (13C)	C913CH9NNaO6	264.044525	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14799	(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-	C13H12O4S	264.0456	NA	KEGG	NA	NA
+CJneg0480	1,7-dimethyluric acid [(M-H)+(HCOONa)]-	C8H8N4NaO5	264.047625	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0480	1,7-dimethyluric acid [(M-H)+(HCOONa)]-	C8H8N4NaO5	264.047625	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ018329	Necatorin 	C15H8N2O3	264.053492	NA	MeJP	NA	NA
+MJ018330	Necatorone 	C15H8N2O3	264.053492	NA	MeJP	NA	NA
+MJ018331	Lonaprofen 	C14H13ClO3	264.055321	NA	MeJP	NA	NA
+MJ018332	2,3,5,8-Tetrahydroxy-6-methyl-1,4-naphthoquinone; 2,5-Di-Me ether 	C13H12O6	264.063388	NA	MeJP	NA	NA
+MJ018333	2-Ethyl-3,5,6,8-tetrahydroxy-1,4-naphthoquinone; 6-Me ether 	C13H12O6	264.063388	NA	MeJP	NA	NA
+MJ018334	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether, 7-Ac 	C13H12O6	264.063388	NA	MeJP	NA	NA
+MJ018335	Arthrinone; 1-Deoxy 	C13H12O6	264.063388	NA	MeJP	NA	NA
+MJ018336	Pereflorin B; 6-Deoxy 	C13H12O6	264.063388	NA	MeJP	NA	NA
+C13144	Ozagrel hydrochloride	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13146	Transferred to D01685	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13147	Transferred to D01686	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13148	Transferred to D01687	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13149	Transferred to D01688	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13150	Transferred to D01689	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13151	Transferred to D01690	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13152	Transferred to D01691	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+C13153	Transferred to D01692	C13H12N2O2	264.0666	NA	KEGG	NA	NA
+MJ018337	Sulfamerazine 	C11H12N4O2S	264.068096	NA	MeJP	NA	NA
+MJ018338	Sulfaperin 	C11H12N4O2S	264.068096	NA	MeJP	NA	NA
+MJ018339	Proferrorosamine B 	C12H12N2O5	264.074621	NA	MeJP	NA	NA
+MJ018340	Temodox 	C12H12N2O5	264.074621	NA	MeJP	NA	NA
+MJ018341	Cystathionine, N2'-Ac 	C9H16N2O5S	264.077992	NA	MeJP	NA	NA
+MJ018342	N-?-Glutamylcysteine; L-L-form, S-Me 	C9H16N2O5S	264.077992	NA	MeJP	NA	NA
+HMDB02381	N-Acetylcystathionine	C9H16N2O5S	264.078	http://www.hmdb.ca/metabolites/HMDB02381	HMDB	NA	NA
+HMDB02381	N-Acetylcystathionine	C9H16N2O5S	264.078	HMDB02381	PFEM_hmdb_metabocards_official	NA	NA
+PJ000123	DM 	C9H16N2O5S	264.078	NA	PeJP	NA	NA
+HMDB02381	N-Acetylcystathionine	C9H16N2O5S	264.078003	NA	HMDB2010	NA	NA
+FL1C19NF0001	2'-Hydroxyfurano[2'',3'':4',3']chalcone	C17H12O3	264.07864	112606-78-7	knapsack	NA	NA
+MJ018343	1-(4-Hydroxy-5-benzofuranyl)-3-phenyl-2-propen-1-one 	C17H12O3	264.078644	NA	MeJP	NA	NA
+MJ018344	3-Benzyl-4-phenyl-2,5-furandione 	C17H12O3	264.078644	NA	MeJP	NA	NA
+MJ018345	Salvinolactone 	C17H12O3	264.078644	NA	MeJP	NA	NA
+MJ018346	Tanshinlactone 	C17H12O3	264.078644	NA	MeJP	NA	NA
+MJ018347	Sulfiram 	C10H20N2S3	264.07886	NA	MeJP	NA	NA
+MJ018348	Dihydro-4-hydroxy-2(3H)-furanone, O-?-D-Glucopyranoside 	C10H16O8	264.084517	NA	MeJP	NA	NA
+MJ018349	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 1,3-Di-Me, 3'-hydroxy 	C11H12N4O4	264.085854	NA	MeJP	NA	NA
+MJ018350	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 3-Me, 3'-methoxy 	C11H12N4O4	264.085854	NA	MeJP	NA	NA
+MJ018351	Neplanocin D 	C11H12N4O4	264.085854	NA	MeJP	NA	NA
+MJ018352	Eupolauramine 	C16H12N2O2	264.089877	NA	MeJP	NA	NA
+MJ018353	Luotonin C 	C16H12N2O2	264.089877	NA	MeJP	NA	NA
+MJ018354	Nauclefidine 	C16H12N2O2	264.089877	NA	MeJP	NA	NA
+MJ018355	Perlolyrine 	C16H12N2O2	264.089877	NA	MeJP	NA	NA
+MJ018356	Phthalazino[2,3-b]phthalazine-5,12(7H,14H)-dione 	C16H12N2O2	264.089877	NA	MeJP	NA	NA
+C09231	Perlolyrine	C16H12N2O2	264.0899	NA	KEGG	NA	NA
+MJ018357	Thialbarbital 	C13H16N2O2S	264.093248	NA	MeJP	NA	NA
+MJ018358	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-di-Ac 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018359	13-Hydroxyripariochromene A 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018360	2-Benzyltetrahydro-3-hydroxy-5-oxo-3-furancarboxylic acid, Et ester 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018361	3,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-3-methylbutyl) 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018362	4,6,7-Trihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Tri-Me ether 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018363	4,7,8-Trihydroxy-3,5-dimethyl-2H-1-benzopyran-2-one; Tri-Me ether 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018364	5-Acetyl-2,3-dihydro-4,6-dihydroxy-2-(2-hydroxyisopropyl)benzofuran, 2,3-Didehydro, 4-Me ether 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018365	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-2-methylbutyl) 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018366	7-(1-Hydroxyethyl)-6-methoxy-3-isopropylidene-1,4-benzodioxin-2(3H)-one 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018367	7-Hydroxy-2H-1-benzopyran-2-one; O-(2,3-Dihydroxy-3-methylbutyl) 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018368	7-[(3-Methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one; 2',3'-Dihydro, 2'R,3'-dihydroxy 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018369	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018370	Allamcin; Me ether 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018371	Deliquinone; 12-Carboxylic acid 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018372	Epoxysorbicillinol 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018373	Mikrolin; Dechloro 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018374	Oxosorbicillinol 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018375	Peucedanol 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018376	Remirol, 7-Hydroxy 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018377	Salicifoliol; 7-Epimer, Me ether 	C14H16O5	264.099773	NA	MeJP	NA	NA
+MJ018378	Scytalol D 	C14H16O5	264.099773	NA	MeJP	NA	NA
+C10427	1'-Acetoxyeugenol acetate	C14H16O5	264.0998	NA	KEGG	NA	NA
+C17226	2-(6'-Methylthio)hexylmalic acid	C11H20O5S	264.1031	NA	KEGG	NA	NA
+C17227	3-(6'-Methylthio)hexylmalic acid	C11H20O5S	264.1031	NA	KEGG	NA	NA
+MJ018379	Thiamine 	C12H17N4OS(+)	264.104481	NA	MeJP	NA	NA
+3817	NA	SYYP	264.105	MH2+	Inhouse_peptide	NA	peptide
+MJ018380	Bluensidine 	C8H16N4O6	264.106984	NA	MeJP	NA	NA
+C17967	Bluensidine	C8H16N4O6	264.107	NA	KEGG	NA	NA
+CJpos0661	Phenylacetylglutamine [(M+H)]+	C13H17N2O4	264.110475	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0661	Phenylacetylglutamine [(M+H)]+	C13H17N2O4	264.110475	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06344	Alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.11099	Long chain acyl carnitines  ;SYN:Linoleic acid carnitine; Linoleoyl carnitine; 3-carboxy-N,N,N-trimethyl-2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]-1-Propanaminium; 3-carboxy-N,N,N-trimethyl-2-[(1-oxo-9,12-octadecadienyl)oxy]-1-Propanaminium; alpha-Linoleoylcarnitine; Decadienylcarnitine; 9,12-octadecadienylcarnitine; 9,12-octadecadienoylcarnitine; Octadecadienyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB04259	Acetyl-N-formyl-5-methoxykynurenamine	C13H16N2O4	264.110992	NA	HMDB2010	NA	NA
+HMDB06344	Alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.110992	NA	HMDB2010	NA	NA
+C04148	alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.111	NA	KEGG	NA	NA
+C04149	alpha-Tubulin N6-acetyl-L-lysine	C9H15N3O3R2	264.111	NA	KEGG	NA	NA
+C05597	Phenylacetylglutamine	C13H16N2O4	264.111	NA	KEGG	NA	NA
+C05642	Formyl-N-acetyl-5-methoxykynurenamine	C13H16N2O4	264.111	NA	KEGG	NA	NA
+MJ018381	Bursatellin 	C13H16N2O4	264.111007	NA	MeJP	NA	NA
+MJ018382	Domipizone 	C13H16N2O4	264.111007	NA	MeJP	NA	NA
+MetaCyc02376	&alpha;-N-phenylacetyl-L-glutamine []	C13H16N2O4	264.111007	NA	metacyc	NA	NA
+HMDB04259	Acetyl-N-formyl-5-methoxykynurenamine	C13H16N2O4	264.11102	http://www.hmdb.ca/metabolites/HMDB04259	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06344	alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.11102	http://www.hmdb.ca/metabolites/HMDB06344	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04259	Acetyl-N-formyl-5-methoxykynurenamine	C13H16N2O4	264.11102	http://www.hmdb.ca/metabolites/HMDB04259	HMDB	NA	NA
+HMDB06344	alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.11102	http://www.hmdb.ca/metabolites/HMDB06344	HMDB	NA	NA
+HMDB04259	Acetyl-N-formyl-5-methoxykynurenamine	C13H16N2O4	264.11102	http://www.hmdb.ca/metabolites/HMDB04259	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06344	alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.11102	http://www.hmdb.ca/metabolites/HMDB06344	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04259	Acetyl-N-formyl-5-methoxykynurenamine	C13H16N2O4	264.11102	HMDB04259	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06344	alpha-N-Phenylacetyl-L-glutamine	C13H16N2O4	264.11102	HMDB06344	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0482	Phenylacetylglutamine [(M-H)]-	C13H15N2O4	264.111525	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0483	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]-	C13H15N2O4	264.111525	C18rt(min)=5.64 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0482	Phenylacetylglutamine [(M-H)]-	C13H15N2O4	264.111525	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0483	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]-	C13H15N2O4	264.111525	C18rt(min)=5.64 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ018383	2,4-Undecadiene-8,10-diynoic acid, 4,6-Heptadiynyl ester 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018384	2,7-Dihydroxy-1,6-dimethyl-5-vinylphenanthrene 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018385	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; Me ether 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018386	2-Isopropyl-8-methyl-3,4-phenanthraquinone 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018387	3-Phenyl-2-propenoic acid, Cinnamyl ester 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018388	7-Isopropyl-1-methylphenanthraquinone 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018389	Danshenxinkun B; 12-Deoxy 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018390	Eupomatenoid 6 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018391	Purpureamethide 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018392	Xerulin; 16,17-Dihydro 	C18H16O2	264.115029	NA	MeJP	NA	NA
+MJ018393	2-Methyl-2-butene-1,4-diol, 1-O-?-D-Glucopyranoside 	C11H20O7	264.120902	NA	MeJP	NA	NA
+MJ018394	2-Methyl-2-butene-1,4-diol, 4-O-?-D-Glucopyranoside 	C11H20O7	264.120902	NA	MeJP	NA	NA
+MJ018395	4-Hydroxy-2-pentanone, 4-O-?-D-Glucopyranoside 	C11H20O7	264.120902	NA	MeJP	NA	NA
+MJ018396	Eccremocarpol B 	C11H20O7	264.120902	NA	MeJP	NA	NA
+MJ018397	Iprazochrome 	C12H16N4O3	264.12224	NA	MeJP	NA	NA
+21	Hemoglobin	YTVF	264.1235	MH2+	Inhouse_peptide	NA	peptide
+MJ018398	Etaqualone 	C17H16N2O	264.126263	NA	MeJP	NA	NA
+MJ018399	Nictindole 	C17H16N2O	264.126263	NA	MeJP	NA	NA
+MJ018400	16-Chloro-13,15-hexadecadiene-9,11-diyn-3-ol 	C16H21ClO	264.128093	NA	MeJP	NA	NA
+8117	peptide derived from sardinelle by-products proteins (Sardinella aurita)	PHYL	264.1285	MH2+	Inhouse_peptide	NA	peptide
+8236	Antioxidative peptide	WNIP	264.12895	MH2+	Inhouse_peptide	NA	peptide
+MJ018401	1,4-Diamino-1,4-dideoxyglucitol, Di-N-Ac 	C10H20N2O6	264.132136	NA	MeJP	NA	NA
+3384	ACE inhibitor	VF	264.136	celiac toxic	Inhouse_peptide	NA	peptide
+MJ018402	Abscisate 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018403	1,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018404	1,10-Epoxy-11(13)-eremophilen-12,8-olide, 2?-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018405	1,10-Epoxy-13-hydroxy-7(11)-eremophilen-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018406	1,10-Epoxy-14-hydroxy-4,11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018407	1,10-Epoxy-2-hydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018408	1,10-Epoxy-3-guaien-12,6-olide, 2?-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018409	1,10-Epoxy-3-guaien-12,6-olide, 2?-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018410	1,10-Epoxy-3-guaien-12,6-olide, 8?-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018411	1,10-Epoxy-3-guaien-12,6-olide, ?4-Isomer, 3-hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018412	1,10-Epoxy-5-hydroxy-4(15),11(13)-germacradien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018413	1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018414	1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018415	1,10-Seco-3,5(10)-eudesmadien-12,6-olid-1-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018416	1,10:4,5-Diepoxy-11(13)-germacren-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018417	1,10:4,5-Diepoxy-11(13)-germacren-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018418	1,10:4,5-Diepoxy-7(11)-germacren-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018419	1,13-Dihydroxy-3,7(11)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018420	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 15-Aldehyde 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018421	1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018422	1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018423	1,2-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018424	1,2-Dihydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018425	1,3-Dihydroxy-12,6-eudesmanolide, 11,13-Didehydro, 3-ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018426	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018427	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018428	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018429	1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018430	1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018431	1,3-Dioxo-2,3-seco-4,10(14)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018432	1,3-Dioxo-2,3-seco-4,9-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018433	1,4-Dihydroxy-2,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018434	1,4-Dihydroxy-2,11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018435	1,4-Dihydroxyfuranoeremophilan-6-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018436	1,5-Dihydroxy-3,10(14)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018437	1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018438	1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018439	1,5-Dihydroxyeriocephaloide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018440	1,6-Dihydroxy-3,11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018441	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018442	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018443	1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018444	1,6-Dihydroxy-4,9,11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018445	1,6-Dihydroxyfuranoeremophilan-9-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018446	1,7,10-Trihydroxy-2(9),3(15)-illudadien-8-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018447	1,7,11-Trihydroxy-1,3,5,9-bisabolatetraen-8-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018448	1,7,12-Trihydroxy-2,9-illudadien-8-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018449	1,7-Dihydroxy-3,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018450	1,7-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018451	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018452	1,8-Dihydroxy-3,7(11)-eremophiladien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018453	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018454	1,8-Dihydroxy-4(15),7(11)-eremophiladien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018455	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018456	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018457	1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018458	1,9-Dihydroxy-3,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018459	1,9-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018460	1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 1-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018461	1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018462	1-Hydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 1-Carboxylic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018463	1-Hydroxy-12-oxo-2,6,10-farnesatrien-14,5-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018464	1-Hydroxy-2-oxo-3-eudesmen-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018465	1-Hydroxy-3-oxo-4-guaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018466	1-Hydroxy-4,10(14)-germacradien-12,6-olide, 11,13-Didehydro, 1-hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018467	1-Hydroxy-4-oxo-11(13)-pseudoguaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018468	1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 1,2-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018469	1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 11,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018470	1-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018471	1-Hydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018472	1-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018473	1-[3-Hydroxy-4-(hydroxymethyl)phenyl]-1,5-heptadiene-3,4-diol, 3'-Me ether 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018474	1-[6-(2-Penten-4-ynyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-4-pentene-2,3-diol 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018475	10,14-Epoxy-4-oxo-12,6-pseudoguaianolide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018476	10-Hydroxy-1,11(13)-eremophiladien-12,8-olide, 1?,2?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018477	10-Hydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018478	10-Hydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018479	10-Hydroxy-3-oxo-11(13)-guaien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018480	10-Hydroxy-4-oxo-12,6-pseudoguaianolide, 11,13-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018481	11(13)-Epoxy-4-oxo-2-pseudoguaien-12,6-olide, 2,3-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018482	11,12-Epoxy-13-hydroxy-9-trichothecen-8-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018483	11,13-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018484	13-Hydroxy-3-oxo-1(10),7(11)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018485	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018486	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018487	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018488	15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 3,4?-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018489	15-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018490	2,13-Dihydroxy-5,7(11)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018491	2,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018492	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018493	2,3-Dihydroxy-4,11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018494	2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018495	2,3-Epoxy-4-hydroxy-11(13)-pseudoguaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018496	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018497	2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018498	2,4-Dihydroxy-3-cedrene-1,5-dione 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018499	2,4-Dihydroxy-5,11(13)-guaiadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018500	2,4-Dihydroxy-9,11(13)-guaiadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018501	2,5-Dihydroxy-2,5,10-bisabolatriene-1,4-dione 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018502	2,5-Epidioxy-3,11(13)-eudesmadien-12-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018503	2,7-Dihydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018504	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018505	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018506	2,8-Dihydroxy-4,10(14)-germacradien-12,6-olide, 2-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018507	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-(2-methylbutanoyl) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018508	2-Hydroxy-4-oxo-1(5),11(13)-xanthadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018509	2-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018510	2-Hydroxy-5,11(13)-eudesmadien-12,8-olide, 5?,6?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018511	2-Hydroxy-8-oxo-3-eudesmen-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018512	2-Methoxy-4-(1-propenyl)phenol, 1',2'-Epoxide, 3-methylbutanoyl 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018513	2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018514	2-Oxomicrocionin 2-lactone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018515	3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018516	3,10-Dihydroxy-4,11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018517	3,11-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018518	3,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 14-Aldehyde 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018519	3,15-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018520	3,15-Dihydroxy-4,11(13)-eudesmadien-12,8-olide; 3?-form 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018521	3,4-Dihydro-6-hydroxy-2,7,8-trimethyl-2H-1-benzopyran-2-propanoic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018522	3,4-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018523	3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018524	3,4-Dihydroxy-9,11(13)-guaiadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018525	3,4-Epoxy-1-hydroxy-11(13)-eudesmen-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018526	3,4-Epoxy-10-hydroxy-11(13)-guaien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018527	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018528	3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018529	3,5-Dihydroxy-4(15),10(14)-guaiadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018530	3,5-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018531	3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018532	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018533	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018534	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018535	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018536	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018537	3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018538	3,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018539	3,8-Dihydroxy-4,9,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018540	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018541	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018542	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018543	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018544	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018545	3,9-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018546	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-(3-methylbutanoyl) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018547	3-(4-Hydroxyphenyl)-2-propenoic acid, O-(4-Hydroxy-3-methylbutyl), Me ester 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018548	3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018549	3-Hydroxy-1-oxo-7(11)-eudesmen-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018550	3-Hydroxy-2-oxo-1(10),11(13)-eremophiladien-12-oic acid; 3?-form 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018551	3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018552	3-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 4?,15-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018553	3-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018554	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 4?,5?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018555	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 3-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018556	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 4?,5?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018557	3-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018558	3-Methyl-1-butanol; 4-Hydroxy-3-methoxycinnamoyl(E) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018559	3-Methyl-1-butanol; 4-Hydroxy-3-methoxycinnamoyl(Z) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018560	4,10-Dihydroxy-1,11(13)-guaiadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018561	4,10-Dihydroxy-2,11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018562	4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide, 4-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018563	4,14-Dihydroxy-6,8-lactaradien-5,14-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018564	4,15-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018565	4,5-Dioxo-1(10)-xanthen-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018566	4,5-Epoxy-1-hydroxy-10(14),11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018567	4,5-Epoxy-1-oxo-12,6-eudesmanolide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018568	4,5-Epoxy-14-hydroxy-1(10),11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018569	4,5-Epoxy-2-hydroxy-1(10),11(13)-germacradien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018570	4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018571	4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018572	4,5-Epoxy-6-hydroxy-10(14),11(13)-germacradien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018573	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018574	4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018575	4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018576	4,8-Dihydroxy-1(10),2-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018577	4,8-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018578	4,8-Scirpenediol, 8-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018579	4-Hydroperoxy-2,11(13)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018580	4-Hydroxy-1-oxo-2-eudesmen-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018581	4-Hydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 10?-hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018582	4-Hydroxy-5,11(13)-eudesmadien-12,8-olide, 4-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018583	4-Hydroxy-9,11(13)-guaiadien-12,8-olide, 9?,10?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018584	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 1?,5?-Epoxide, 11?,13-dihydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018585	4-Oxo-7(11)-pseudoguaien-12,6-olide, 13-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018586	5,10-Epoxy-1-hydroxy-3,11(13)-germacradien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018587	5,6-Dihydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018588	5,7-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018589	5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me ether 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018590	5,7-Dihydroxy-6-isobutyryl-2,2-dimethylchroman 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018591	5,7-Dihydroxy-8-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me ether 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018592	5,7-Dihydroxy-8-isobutyryl-2,2-dimethylchroman 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018593	5,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018594	5,8-Dihydroxy-4(15),7(11)-eudesmadien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018595	5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid, 3'-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018596	5-Hydroperoxy-3,9-amorphadien-14,2-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018597	5-Hydroxy-14-oxo-3-cedren-15-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018598	5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 5-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018599	5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 4?,15-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018600	5-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, 5-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018601	5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; O-(4-Hydroxy-3-methyl-2-butenoyl) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018602	5-Hydroxy-6-silphiperfolen-13-oic acid, 5-Ketone, 6?,7?-epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018603	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018604	6,14-Dihydroxy-1,3,11(13)-elematrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018605	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018606	6,7-Epoxy-5-hydroxy-4(15)-hirsuten-12-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018607	6,7:11,12-Diepoxy-3-hydroxy-9-eremophilen-8-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018608	6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018609	6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018610	6,9-Dihydroxyfuranoeremophilan-1-one 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018611	6-Acetyl-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran; 1'-Alcohol, 7,8-di-Me ether 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018612	6-Hydroxy-3-oxo-1-guaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018613	6-Hydroxy-3-oxo-4-guaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018614	6-Hydroxy-3-oxo-5(10)-pinguisen-11,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018615	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018616	7-Hydroxy-3-oxo-4-guaien-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018617	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018618	8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018619	8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018620	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018621	8,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018622	8,14-Dihydroxy-1,3,11(13)-elematrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018623	8,14-Dihydroxy-2,6-lactaradien-5,14-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018624	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018625	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018626	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 15-Aldehyde 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018627	8,9-Seco-1(10),7(11)-eremophiladien-8,12-olid-9-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018628	8-Hydroxy-1-oxo-4-eudesmen-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018629	8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018630	8-Hydroxy-15-nor-4-oxo-1(5),11(13)-guaiadien-12-oic acid, Me ester 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018631	8-Hydroxy-3-oxo-1(10),11(13)-germacradien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018632	8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018633	8-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide, 8-Hydroperoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018634	8-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018635	9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018636	9,10-Dihydroxy-7-marasmen-5,14-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018637	9,11-Dihydroxy-4(13),7-coloratadien-12,11-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018638	9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018639	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018640	9-Hydroxy-2-oxo-3,11(13)-eudesmadien-12-oic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018641	Abscisic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018642	Alliacol A 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018643	Alliacol B 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018644	Ambrosic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018645	Antheindurolide A 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018646	Anthepseudolide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018647	Antibiotic A 82775B 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018648	Ascosalitoxin 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018649	Benghalensin A 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018650	Benghalensin B 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018651	Cybrodol, 1-Carboxylic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018652	Cycloeumorphinone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018653	Emmotin Z 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018654	Eupatoriochromene C 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018655	Ferulol; O-(4-Hydroxy-3-methyl-2-butenoyl) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018656	Greenein 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018657	Helicobasidin 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018658	Heliespirone A 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018659	Hulupinic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018660	Hymenoratin C 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018661	Illicinone A, 2R,3-Dihydro, 11S,12-epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018662	Illicinone A, 2S,3-Dihydro, 11S,12-epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018663	Illicinone A, 2R,3-Dihydro, 11S,12-epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018664	Illicinone A, 2R,3-Dihydro, ?10,11-isomer, 12-hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018665	Illicinone A, 2S,3-Dihydro, ?10,11-isomer, 12-hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018666	Illicinone H 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018667	Illifunone, 2,3-Didehydro, 5,6-dihydro, 5S-methoxy, 4-Me ether 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018668	Isoferulol; O-(4-Hydroxy-3-methyl-2-butenoyl) 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018669	Isoquadrone; 6-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018670	Ivambrin; 2-Deoxy, 9?-hydroxy, 4-ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018671	Jesterone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018672	Kanshone D; 2-Ketone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018673	Laurefucin; Debromo, 3,4-didehydro, 11-hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018674	Marasmene; 15-Hydroxy, 3-oxo 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018675	Merulanic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018676	Muzigadial; 4?,13-Epoxide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018677	Myoporone, 10,11-Epoxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018678	Nehipediol 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018679	Onitisin 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018680	Oreadone; Formyl 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018681	Paniculide A 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018682	Pentalenolactone D 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018683	Phomenone 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018684	Pinguisanolide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018685	Psilostachyin C 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018686	Pterosin D, 14-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018687	Pterosin D, 15-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018688	Pterosin D, 5?-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018689	Pterosin L 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018690	Quadrone; 8?-Hydroxy 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018691	Ricciocarpin B 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018692	Sipandolide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018693	Sydowic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018694	Themoidin; 11,13-Didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018695	Themoidin; 8-Epimer, 11,13-didehydro 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018696	Umbellifolide 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018697	Verocephol 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018698	Wutaiensol 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018699	Zaluzanin A 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MJ018700	?-Santal-10-ene-12,15-dioic acid 	C15H20O4	264.136159	NA	MeJP	NA	NA
+MetaCyc02377	4-prenylphlorisobutyrophenone [compound co-X;PPIBP;]	C15H20O4	264.136159	NA	metacyc	NA	NA
+MetaCyc02378	abscisate [abscisic acid;ABA;(+)-abscisate;]	C15H20O4	264.136159	NA	metacyc	NA	NA
+C06082	Abscisate	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09291	Amaralin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09304	Artemisiifolin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09349	Baileyin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09355	Chamissonin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09381	Coronopilin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09453	Florilenalin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09456	Geigerin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09470	Granilin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09481	Hymenolin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09498	Ludovicin A	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09506	Michelenolide	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09530	Pleniradin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09531	Plenolin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09540	Ridentin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09542	Salonitenolide	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09574	Vermeerin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09600	Vulgarin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09683	Hirsutic acid C	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09688	Illudin S	C15H20O4	264.1362	NA	KEGG	NA	NA
+C09708	Phomenone	C15H20O4	264.1362	NA	KEGG	NA	NA
+C10766	Ascosalitoxin	C15H20O4	264.1362	NA	KEGG	NA	NA
+C11060	(-)-Abscisic acid	C15H20O4	264.1362	NA	KEGG	NA	NA
+MJ018701	Stilbamidine 	C16H16N4	264.137496	NA	MeJP	NA	NA
+MJ018702	Villagorgin A 	C16H16N4	264.137496	NA	MeJP	NA	NA
+MJ018703	3-[(Dimethylamino)methyl]-1,5-dimethoxyindole; ar-Methoxy 	C14H20N2O3	264.147392	NA	MeJP	NA	NA
+MJ018704	Phenamide 	C14H20N2O3	264.147392	NA	MeJP	NA	NA
+MJ018705	Propacetamol 	C14H20N2O3	264.147392	NA	MeJP	NA	NA
+MJ018706	Subaphylline 	C14H20N2O3	264.147392	NA	MeJP	NA	NA
+C10497	Feruloylputrescine	C14H20N2O3	264.1474	NA	KEGG	NA	NA
+PJ000124	VF 	C14H20N2O3	264.1474	NA	PeJP	NA	NA
+MJ018707	1,7-Diphenyl-4,6-heptadien-3-ol 	C19H20O	264.151415	NA	MeJP	NA	NA
+MJ018708	1,7-Diphenyl-4,6-heptadien-3-one, 4,5-Dihydro 	C19H20O	264.151415	NA	MeJP	NA	NA
+MJ018709	1,7-Diphenyl-4-hepten-3-one 	C19H20O	264.151415	NA	MeJP	NA	NA
+MJ018710	18(4?3)-Abeo-20-nor-1,3,5(10),6,8,11,13-abietaheptaen-12-ol 	C19H20O	264.151415	NA	MeJP	NA	NA
+MJ018711	1-Hexanol; O-?-D-Glucopyranoside 	C12H24O6	264.157288	NA	MeJP	NA	NA
+MJ018712	Fuscusine 	C13H20N4O2	264.158625	NA	MeJP	NA	NA
+MJ018713	Theobromine; 1-Hexyl 	C13H20N4O2	264.158625	NA	MeJP	NA	NA
+C09036	(-)-Apparicine	C18H20N2	264.1626	NA	KEGG	NA	NA
+MJ018714	1,2,3,4-Tetrahydroellipticine; N2-Me 	C18H20N2	264.162648	NA	MeJP	NA	NA
+MJ018715	Amezepine 	C18H20N2	264.162648	NA	MeJP	NA	NA
+MJ018716	Apparicine 	C18H20N2	264.162648	NA	MeJP	NA	NA
+MJ018717	Ciclopramine 	C18H20N2	264.162648	NA	MeJP	NA	NA
+MJ018718	Guatambuine 	C18H20N2	264.162648	NA	MeJP	NA	NA
+MJ018719	Mianserin 	C18H20N2	264.162648	NA	MeJP	NA	NA
+C09657	Dehydrojuvabione	C16H24O3	264.1725	NA	KEGG	NA	NA
+C17747	5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone	C16H24O3	264.1725	NA	KEGG	NA	NA
+MJ018720	1(10),4-Germacradien-12,6-olide, 13-Methoxy 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018721	1,3,5-Herbertatriene-1,2,12-triol; 12-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018722	1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018723	11-Hydroxy-5-silphiperfolen-13-oic acid; 11?-form, Me ester 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018724	13,14,15,16-Tetranor-2-oxo-3-cleroden-12-oic acid 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018725	13-Hydroxy-3-longipinen-12-oic acid; 13-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018726	2,4-Tridecadiyn-1-ol; Methoxyacetate 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018727	2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; 3'-Hydroxy, 2',3'-dihydro 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018728	2-(3,7-Dimethyl-2,6-octadienyl)-1,4-benzenediol; 7'-Hydroxy, 6',7'-dihydro 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018729	2-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 2?-form, Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018730	3-Hydroxy-1(10),4-cadinadien-15-oic acid; Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018731	3-Hydroxy-4-isopropylbenzyl alcohol; 3-Me ether, 7-O-(3-methylbutanoyl) 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018732	3-Longipinene-12,15-diol; 12-Carboxylic acid, 15-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018733	4-(5-Hydroxy-4,7,8-trimethyl-3,8-nonadienyl)-2(5H)furanone 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018734	4-(5-Hydroxy-4,8-dimethyl-7-methylene-3-nonenyl)-2(5H)furanone 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018735	4-Muurolene-7,15-diol, 7,15-Carbonate 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018736	5,14-Epoxy-5,7(14)-lactaradiene-3,8-diol, 3-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018737	5-Hydroxy-4-[2-(1,2,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2(5H)-furanone; Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018738	5-Hydroxy-6-silphiperfolen-13-oic acid, Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018739	5-Hydroxy-6-silphiperfolen-13-oic acid; 5?-form, Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018740	6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 12-Hydroxy, 6-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018741	6-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 6?-form, Me ester 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018742	6-Hydroxy-4,11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018743	6-Hydroxy-5(10)-pinguisen-11,6-olide; 6àOH-form, 6-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018744	9-Oxo-1,2-dinor-5,10-prostadienoic acid 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018745	9-Oxo-2-bisabolen-15-oic acid, 10,11-Didehydro, Me ester 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018746	Brefeldin A; 7-Deoxy 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018747	Clitocybulol A; 6-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018748	Epijuvabienol ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018749	Furanoeremophilane-6,10-diol, 6-Me ether 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018750	Norafricanone 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018751	Norbotryal acetate 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018752	Pallescensolide 	C16H24O3	264.172544	NA	MeJP	NA	NA
+MJ018753	Secoswartzianin B 	C16H24O3	264.172544	NA	MeJP	NA	NA
+3548	NA	IKVAV	264.1755	MH2+	Inhouse_peptide	NA	peptide
+MJ018754	12-Hydroxylupanine; 12?-form 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018755	13-Hydroxylupanine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018756	3-Hydroxylupanine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018757	4-Hydroxylupanine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018758	6-Hydroxylupanine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018759	?-Isosparteine, 17-Oxo, 2?-hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018760	Aphyllic acid; 2',3'-Didehydro 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018761	Aphylline; 2?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018762	Aphylline; N-Oxide 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018763	Chamaecytisus Alkaloid C1 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018764	Darvasamine; 13?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018765	Darvasoline 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018766	Dimetholizine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018767	Hydroxyaphylline 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018768	Jamaidine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018769	Lamprolobine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018770	Leontismidine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018771	Leontismine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018772	Lupanine, N16-Oxide 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018773	Lupilaxine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018774	Matrine, 13?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018775	Matrine, 14?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018776	Matrine, 14?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018777	Matrine, 3?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018778	Matrine, 9?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018779	Matrine, N1-Oxide 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018780	Sophoranol 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018781	Sophoridine, 14?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018782	Sophoridine, 1?-Oxide 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018783	Sophoridine, 3?-Hydroxy 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018784	Tetracaine 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018785	Tetrahydrocytisine; Hydroxy, N-(3-butenyl) 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018786	Thermopsamine; 4-Oxo 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MJ018787	Virgiline 	C15H24N2O2	264.183778	NA	MeJP	NA	NA
+MetaCyc02379	13-hydroxylupinine [13-hydroxylupanine;]	C15H24N2O2	264.183778	NA	metacyc	NA	NA
+C02621	13-Hydroxylupanine	C15H24N2O2	264.1838	NA	KEGG	NA	NA
+C02623	2,2-Dialkylglycine	C2H3NO2R2	264.1838	NA	KEGG	NA	NA
+C07526	Tetracaine	C15H24N2O2	264.1838	NA	KEGG	NA	NA
+C10749	Ammothamnine	C15H24N2O2	264.1838	NA	KEGG	NA	NA
+C10769	Lamprolobine	C15H24N2O2	264.1838	NA	KEGG	NA	NA
+C10776	Nuttalline	C15H24N2O2	264.1838	NA	KEGG	NA	NA
+C17069	Sophoranol	C15H24N2O2	264.1838	NA	KEGG	NA	NA
+MJ018788	2,4-Bis(4-ethylphenyl)-1-butene 	C20H24	264.1878	NA	MeJP	NA	NA
+C16344	Heptadecatrienoic acid	C17H28O2	264.2089	NA	KEGG	NA	NA
+MJ018789	1(6)-Brasilen-2-ol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018790	1,3-Dihydroxy-5-undecylbenzene 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018791	1,3-Elemadien-6-ol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018792	10-Heptadecen-8-ynoic acid 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018793	11-Eudesmen-4-ol, 4-Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018794	14,15,16-Trinor-13,8-labdanolide; 8?-form 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018795	2-Hexyl-5-pentyl-1,3-benzenediol 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018796	2-Isopropenyl-1-(4-methyl-4-penten-1-yl)cyclobutaneethanol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018797	3(15),6-Caryophylladien-14-oic acid, 6?,7-Dihydro, 14-alcohol, 14-Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018798	3,10(14)-Germacradien-3-ol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018799	3-(11-Dodecenyl)-5-methyl-2(5H)-furanone 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018800	5,9,12-Heptadecatrienoic acid 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018801	6-Isopropenyl-3,9-dimethyl-3,9-decadien-1-ol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018802	8(12)-Drimen-11-ol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018803	Sesquilavandulol, Ac 	C17H28O2	264.20893	NA	MeJP	NA	NA
+MJ018804	10-Hydroxymethylsparteine 	C16H28N2O	264.220163	NA	MeJP	NA	NA
+MJ018805	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Monodeoxy 	C16H28N2O	264.220163	NA	MeJP	NA	NA
+MJ018806	Huperzine J; N-De-Me 	C16H28N2O	264.220163	NA	MeJP	NA	NA
+MJ018807	Lycocernuine; Deoxo 	C16H28N2O	264.220163	NA	MeJP	NA	NA
+MJ018808	11,14-Octadecadienal 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018809	14,15-Dinor-4(18)-cleroden-13-one; ent-form, 13?-Alcohol 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018810	15,16-Dinor-8-labden-14-ol 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018811	2,13-Octadecadienal 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018812	4-Methyl-7,11-heptadecadienoic acid, Aldehyde 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018813	6,7-Epoxy-3,9-octadecadiene 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018814	9,12-Octadecadienal 	C18H32O	264.245315	NA	MeJP	NA	NA
+MJ018815	Phlegmarine; Na-Me 	C17H32N2	264.256549	NA	MeJP	NA	NA
+MJ018816	Phlegmarine; Nb-Me 	C17H32N2	264.256549	NA	MeJP	NA	NA
+MJ018817	6,9-Nonadecadiene 	C19H36	264.281701	NA	MeJP	NA	NA
+MJ018818	2-Amino-4,6-dibromophenol 	C6H5Br2NO	264.873789	NA	MeJP	NA	NA
+MJ018819	3-(6-Bromo-1H-indol-3-yl)-2-propenoic acid 	C11H8BrNO2	264.973841	NA	MeJP	NA	NA
+MJ018820	2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine 	C10H8BrN3O	264.985074	NA	MeJP	NA	NA
+C13127	Bropirimine	C10H8BrN3O	264.9851	NA	KEGG	NA	NA
+C13128	Transferred to D01667	C10H8BrN3O	264.9851	NA	KEGG	NA	NA
+MJ018821	Hydroxysaclofen 	C9H12ClNO4S	265.017556	NA	MeJP	NA	NA
+MJ018822	Dopan 	C9H13Cl2N3O2	265.038482	NA	MeJP	NA	NA
+MetaCyc02380	F-PU [N-(2-chloro-4-pyridyl)-N'-5-fluoro-phenylurea;]	C12H9N3O1F1CL1	265.041818	NA	metacyc	NA	NA
+MJ018823	Erythropterin 	C9H7N5O5	265.044718	NA	MeJP	NA	NA
+HMDB01915	Alendronic acid	C5H17NO7P2	265.048	http://www.hmdb.ca/metabolites/HMDB01915	HMDB	NA	NA
+HMDB01915	Alendronic acid	C5H17NO7P2	265.048	HMDB01915	PFEM_hmdb_metabocards_official	NA	NA
+MJ018824	Mimosamycin; 1,4-Dihydroxy 	C12H11NO6	265.058637	NA	MeJP	NA	NA
+MJ018825	Nitecapone 	C12H11NO6	265.058637	NA	MeJP	NA	NA
+MJ018826	1-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine 	C10H11ClF3N3	265.059359	NA	MeJP	NA	NA
+MJ018827	Eflumast 	C10H8FN5O3	265.061117	NA	MeJP	NA	NA
+MJ018828	Amphethinile 	C15H11N3S	265.067368	NA	MeJP	NA	NA
+MJ018829	Ascorbic acid, 5,6-O-Benzylidene (deutero analogue) 	C13H11DO6	265.069664	NA	MeJP	NA	NA
+C16625	Isoniazid alpha-ketoglutaric acid	C11H11N3O5	265.0699	NA	KEGG	NA	NA
+PJ000125	GSC 	C8H15N3O5S	265.0733	NA	PeJP	NA	NA
+MJ018830	1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018831	1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 2-Me ether 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018832	3-Hydroxy-2-phenyl-4-quinolinecarboxylic acid 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018833	5-(3,4-Methylenedioxyphenyl)-2-phenyloxazole 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018834	Anhydrolycorin-7-one 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018835	Furofoline 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018836	Pratorinine 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+MJ018837	Ungeremine 	C16H11NO3	265.073893	NA	MeJP	NA	NA
+C10681	Furofoline I	C16H11NO3	265.0739	NA	KEGG	NA	NA
+C12250	Anhydrolycorinone	C16H11NO3	265.0739	NA	KEGG	NA	NA
+C11500	5'-Dehydroadenosine	C10H11N5O4	265.0811	NA	KEGG	NA	NA
+MJ018838	Furodazole 	C15H11N3O2	265.085126	NA	MeJP	NA	NA
+MJ018839	Albendazole 	C12H15N3O2S	265.088497	NA	MeJP	NA	NA
+MetaCyc02381	albendazole []	C12H15N3O2S1	265.088497	54965-21-8	metacyc	NA	NA
+C01779	Albendazole	C12H15N3O2S	265.0885	NA	KEGG	NA	NA
+MJ018840	Streptozotocin 	C8H15N3O7	265.090999	NA	MeJP	NA	NA
+C07313	Streptozocin	C8H15N3O7	265.091	NA	KEGG	NA	NA
+C07314	Sucralfate	C12H14O11R8	265.091	NA	KEGG	NA	NA
+MJ018841	2-Amino-3-hydroxybutanoic acid, N-(4-Hydroxycinnamoyl) 	C13H15NO5	265.095022	NA	MeJP	NA	NA
+MJ018842	2-Aminobenzoic acid; N-[3-(Methoxycarbonyl)propanoyl], Me ester 	C13H15NO5	265.095022	NA	MeJP	NA	NA
+MJ018843	Xanthicin 	C13H15NO5	265.095022	NA	MeJP	NA	NA
+7944	synthetic peptide	YYW	265.1025	MH2+	Inhouse_peptide	NA	peptide
+7962	synthetic peptide	WYY	265.1025	MH2+	Inhouse_peptide	NA	peptide
+7964	synthetic peptide	YWY	265.1025	MH2+	Inhouse_peptide	NA	peptide
+MJ018844	Agaritine, 7'-Aldehyde 	C12H15N3O4	265.106255	NA	MeJP	NA	NA
+MJ018845	2,3-Epoxy-6,8-nonadiynoic acid; (Z)-2-Phenylethenylamide 	C17H15NO2	265.110278	NA	MeJP	NA	NA
+MJ018846	4,7-Dihydroxy-2-phenylquinoline; NH-form, 7-Me ether, N-Me 	C17H15NO2	265.110278	NA	MeJP	NA	NA
+MJ018847	Anonaine 	C17H15NO2	265.110278	NA	MeJP	NA	NA
+MJ018848	Inicarone 	C17H15NO2	265.110278	NA	MeJP	NA	NA
+MJ018849	Vasconine 	C17H16NO2(+)	265.110278	NA	MeJP	NA	NA
+C09339	(-)-Annonaine	C17H15NO2	265.1103	NA	KEGG	NA	NA
+C14597	2,3-Bis(p-methoxyphenyl)acrylonitrile	C17H15NO2	265.1103	NA	KEGG	NA	NA
+EUR205	Thiamin	C12H17N4OS	265.1123	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00235	Thiamine	C12H17N4OS	265.1123	http://www.hmdb.ca/metabolites/HMDB00235	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR205	Thiamin	C12H17N4OS	265.1123	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR205	Thiamin	C12H17N4OS	265.1123	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00235	Thiamine	C12H17N4OS	265.1123	http://www.hmdb.ca/metabolites/HMDB00235	HMDB	NA	NA
+EUR205	Thiamin	C12H17N4OS	265.1123	Wishlist	Inhousejuil11	NA	NA
+C00378	Thiamine	C12H17N4OS	265.1123	NA	KEGG	NA	NA
+HMDB00235	Thiamine	C12H17N4OS	265.1123	http://www.hmdb.ca/metabolites/HMDB00235	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00235	Thiamine	C12H17N4OS	265.1123	HMDB00235	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00235	Thiamine	C12H17N4OS	265.112305	NA	HMDB2010	NA	NA
+MJ018850	Thiamin 	C12H17N4OS	265.112306	NA	MeJP	NA	NA
+MetaCyc02382	thiamine [thiamin;vitamin B1;]	C12H17N4O1S1	265.112307	59-43-8	metacyc	NA	NA
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	HMDB	NA	NA
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	Inhouse_PFEM	NA	NA
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR205	Thiamin	C12H17N4OS	265.112308	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0662	Phenylacetylglutamine [(M+H)]+ (13C)	C1213CH17N2O4	265.113775	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0662	Phenylacetylglutamine [(M+H)]+ (13C)	C1213CH17N2O4	265.113775	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0484	Phenylacetylglutamine [(M-H)]- (13C)	C1213CH15N2O4	265.114925	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0485	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (13C)	C1213CH15N2O4	265.114925	C18rt(min)=5.64 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0484	Phenylacetylglutamine [(M-H)]- (13C)	C1213CH15N2O4	265.114925	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0485	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (13C)	C1213CH15N2O4	265.114925	C18rt(min)=5.64 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ018851	1-[(3-Carboxypropyl)amino]-1-deoxyfructose 	C10H19NO7	265.116151	NA	MeJP	NA	NA
+MJ018852	Aristeromycin 	C11H15N5O3	265.117489	NA	MeJP	NA	NA
+MJ018853	Lobucavir 	C11H15N5O3	265.117489	NA	MeJP	NA	NA
+C03795	N6-Methyl-2'-deoxyadenosine	C11H15N5O3	265.1175	NA	KEGG	NA	NA
+MJ018854	N-(4-Acetyl-1-piperazinyl)-4-fluorobenzamide 	C13H16FN3O2	265.122654	NA	MeJP	NA	NA
+C04335	N(alpha)-Benzyloxycarbonyl-L-leucine	C14H19NO4	265.1314	NA	KEGG	NA	NA
+C11281	Anisomycin	C14H19NO4	265.1314	NA	KEGG	NA	NA
+MJ018855	1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline; 1,2-Didehydro 	C14H19NO4	265.131408	NA	MeJP	NA	NA
+MJ018856	1,2,3,4-Tetrahydro-6,7,8-trimethoxy-1-methylisoquinoline, 2-Formyl 	C14H19NO4	265.131408	NA	MeJP	NA	NA
+MJ018857	Anisomycin 	C14H19NO4	265.131408	NA	MeJP	NA	NA
+MJ018858	Densinine 	C14H19NO4	265.131408	NA	MeJP	NA	NA
+MJ018859	Filenadol 	C14H19NO4	265.131408	NA	MeJP	NA	NA
+MJ018860	Fumariflorine; Et ester 	C14H19NO4	265.131408	NA	MeJP	NA	NA
+MJ018861	2-Decene-6,8-diynoic acid, 2-Phenylethylamide 	C18H19NO	265.146664	NA	MeJP	NA	NA
+MJ018862	3-Hydroxy-6-methyl-4-prenylcarbazole 	C18H19NO	265.146664	NA	MeJP	NA	NA
+MJ018863	Mukoenine A 	C18H19NO	265.146664	NA	MeJP	NA	NA
+MJ018864	N-2-Phenylethylcinnamamide, N-Me 	C18H19NO	265.146664	NA	MeJP	NA	NA
+MJ018865	Siamenol 	C18H19NO	265.146664	NA	MeJP	NA	NA
+C14526	Esprocarb	C15H23NOS	265.15	NA	KEGG	NA	NA
+MJ018866	4-(1-Methyl-2-piperidyl)-?-carboline 	C17H19N3	265.157897	NA	MeJP	NA	NA
+MJ018867	Antazoline 	C17H19N3	265.157897	NA	MeJP	NA	NA
+MJ018868	Brevicolline 	C17H19N3	265.157897	NA	MeJP	NA	NA
+MJ018869	Delergotrile 	C17H19N3	265.157897	NA	MeJP	NA	NA
+MJ018870	Mirtazapine 	C17H19N3	265.157897	NA	MeJP	NA	NA
+C07570	Mirtazapine	C17H19N3	265.1579	NA	KEGG	NA	NA
+C09083	Brevicolline	C17H19N3	265.1579	NA	KEGG	NA	NA
+MJ018871	Silperisone 	C15H24FNSi	265.166204	NA	MeJP	NA	NA
+MJ018872	3-(3,4-Dihydroxyphenyl)propanoic acid; Di-Me ether, 2-methylpropylamide 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018873	Deoxynupharidine, 6,7?-Dihydroxy 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018874	Deoxynupharidine, 6,7?-Dihydroxy 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018875	Ethomoxane 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018876	Oxprenolol 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018877	Parethoxycaine 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018878	Similin B 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018879	Trimoxamine 	C15H23NO3	265.167793	NA	MeJP	NA	NA
+MJ018880	Trikentramine 	C19H23N	265.183049	NA	MeJP	NA	NA
+C11698	UH-301	C16H24FNO	265.1842	NA	KEGG	NA	NA
+MJ018881	3-Formamido-7(14),9-bisaboladien-8-ol 	C16H27NO2	265.204179	NA	MeJP	NA	NA
+MJ018882	Fawcettiine, O-De-Ac 	C16H27NO2	265.204179	NA	MeJP	NA	NA
+MJ018883	Lycoclavine; O-De-Ac 	C16H27NO2	265.204179	NA	MeJP	NA	NA
+MJ018884	Nupharamine, Me ether 	C16H27NO2	265.204179	NA	MeJP	NA	NA
+MJ018885	Paniculine; O-De-Ac 	C16H27NO2	265.204179	NA	MeJP	NA	NA
+MJ018886	2,4-Tridecadienoic acid, 2-Methylpropylamide 	C17H31NO	265.240564	NA	MeJP	NA	NA
+MJ018887	3-(6-Hydroxyheptyl)-5-propylpyrrolizidine, Ketone 	C17H31NO	265.240564	NA	MeJP	NA	NA
+MJ018888	Myrtecaine 	C17H31NO	265.240564	NA	MeJP	NA	NA
+MJ018889	1,1-Dibromo-3,3-dichloro-1-propene 	C3H2Br2Cl2	265.79003	NA	MeJP	NA	NA
+C16248	2,6-Dibromohydroquinone	C6H4Br2O2	265.8578	NA	KEGG	NA	NA
+MJ018890	2,4-Dibromo-1,3-benzenediol 	C6H4Br2O2	265.857804	NA	MeJP	NA	NA
+MJ018891	2,6-Dibromo-1,4-benzenediol 	C6H4Br2O2	265.857804	NA	MeJP	NA	NA
+MJ018892	3,5-Dibromo-1,2-benzenediol 	C6H4Br2O2	265.857804	NA	MeJP	NA	NA
+MJ018893	4,5-Dibromo-1,3-benzenediol 	C6H4Br2O2	265.857804	NA	MeJP	NA	NA
+MJ018894	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; Amide 	C5H4Br2N2O	265.869038	NA	MeJP	NA	NA
+MJ018895	3-Bromo-5-hydroxy-2-methyl-1,4-naphthoquinone 	C11H7BrO3	265.957856	NA	MeJP	NA	NA
+HMDB01270	Glyceric acid 1,3-biphosphate	C3H8O10P2	265.959259	NA	HMDB2010	NA	NA
+HMDB01294	2,3-Diphosphoglyceric acid	C3H8O10P2	265.959259	NA	HMDB2010	NA	NA
+HMDB01270	Glyceric acid 1,3-biphosphate	C3H8O10P2	265.95926	http://www.hmdb.ca/metabolites/HMDB01270	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01294	2,3-Diphosphoglyceric acid	C3H8O10P2	265.95926	http://www.hmdb.ca/metabolites/HMDB01294	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01270	Glyceric acid 1,3-biphosphate	C3H8O10P2	265.95926	http://www.hmdb.ca/metabolites/HMDB01270	HMDB	NA	NA
+HMDB01294	2,3-Diphosphoglyceric acid	C3H8O10P2	265.95926	http://www.hmdb.ca/metabolites/HMDB01294	HMDB	NA	NA
+HMDB01270	Glyceric acid 1,3-biphosphate	C3H8O10P2	265.95926	http://www.hmdb.ca/metabolites/HMDB01270	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01294	2,3-Diphosphoglyceric acid	C3H8O10P2	265.95926	http://www.hmdb.ca/metabolites/HMDB01294	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01270	Glyceric acid 1,3-biphosphate	C3H8O10P2	265.95926	HMDB01270	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01294	2,3-Diphosphoglyceric acid	C3H8O10P2	265.95926	HMDB01294	PFEM_hmdb_metabocards_official	NA	NA
+MJ018896	2,3-Bisphospho-D-glycerate 	C3H8O10P2	265.959269	NA	MeJP	NA	NA
+MJ018897	3-Phospho-D-glyceroyl phosphate 	C3H8O10P2	265.959269	NA	MeJP	NA	NA
+MetaCyc02383	1,3-diphosphateglycerate [glycerate 1,3-diphosphate;3-phospho-D-glyceroyl-phosphate;3-phosphoglyceroyl-P;P-glyceroyl-P;phosphoglyceroyl-P;3-phosphoglyceroyl-phosphate;3-P-glyceroyl-P;DPG;13-DPG;glycerate 1,3-bisphosphate;1,3-biphosphoglycerate;]	C3H8O10P2	265.959269	1981-49-3	metacyc	NA	NA
+MetaCyc02384	2,3-diphosphoglycerate [2,3-biphosphoglycerate;D-Greenwald ester;2,3-P2-D-glycerate;2,3-bisphospho-D-glycerate;2,3-diphospho-D-glycerate;DPG;]	C3H8O10P2	265.959269	NA	metacyc	NA	NA
+C00236	3-Phospho-D-glyceroyl phosphate	C3H8O10P2	265.9593	NA	KEGG	NA	NA
+C01159	2,3-Bisphospho-D-glycerate	C3H8O10P2	265.9593	NA	KEGG	NA	NA
+C03339	2,3-Bisphosphoglycerate	C3H8O10P2	265.9593	NA	KEGG	NA	NA
+MJ018898	3-(3-Bromo-2-nitrophenyl)-1H-pyrrole 	C10H7BrN2O2	265.96909	NA	MeJP	NA	NA
+MJ018899	7,8-Dichloro-1-hydroxy-9-methyl-?-carboline 	C12H8Cl2N2O	266.001368	NA	MeJP	NA	NA
+MJ018900	Mesulfamide 	C7H10N2O5S2	266.003112	NA	MeJP	NA	NA
+MJ018901	Cryptosporiopsinol 	C10H12Cl2O4	266.011264	NA	MeJP	NA	NA
+MJ018902	Lachnumol A 	C10H12Cl2O4	266.011264	NA	MeJP	NA	NA
+C06639	2,2-Bis(4'-chlorophenyl)ethanol	C14H12Cl2O	266.0265	NA	KEGG	NA	NA
+C14905	2-Chloro-beta-(4-chlorophenyl)phenethyl alcohol	C14H12Cl2O	266.0265	NA	KEGG	NA	NA
+MJ018903	2,2-Bis(4'-chlorophenyl)ethanol 	C14H12Cl2O	266.02652	NA	MeJP	NA	NA
+MJ018904	Orpanoxin 	C13H11ClO4	266.034586	NA	MeJP	NA	NA
+C10999	4,4'-Methylene-bis-(2-chloroaniline)	C13H12Cl2N2	266.0378	NA	KEGG	NA	NA
+MJ018905	5-Bromotryptamine; Nb,Nb-Di-Me 	C12H15BrN2	266.041861	NA	MeJP	NA	NA
+MJ018906	2-Ethyl-3,5,6,7,8-pentahydroxy-1,4-naphthoquinone 	C12H10O7	266.042652	NA	MeJP	NA	NA
+MJ018907	5-(2,4,6-Trihydroxyphenoxy)-1,2,3-benzenetriol 	C12H10O7	266.042652	NA	MeJP	NA	NA
+MJ018908	6-Ethyl-2,3,5,7,8-pentahydroxy-1,4-naphthoquinone 	C12H10O7	266.042652	NA	MeJP	NA	NA
+MJ018909	Hydroxypropanedioic acid; 2-O-(4-Hydroxycinnamoyl)(E-) 	C12H10O7	266.042652	NA	MeJP	NA	NA
+CJpos0663	Pseudouridine [(M+Na)]+	C9H12N2NaO6	266.050975	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0663	Pseudouridine [(M+Na)]+	C9H12N2NaO6	266.050975	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ018910	4-(Methylthio)canthin-6-one 	C15H10N2OS	266.051383	NA	MeJP	NA	NA
+MetaCyc02385	2-amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine []	C9H8N5O5	266.052543	NA	metacyc	NA	NA
+MJ018911	Brassinin; 4-Methoxy 	C12H14N2OS2	266.054754	NA	MeJP	NA	NA
+MJ018912	Brassinin; N1-Methoxy 	C12H14N2OS2	266.054754	NA	MeJP	NA	NA
+C08506	Methoxybrassinin	C12H14N2OS2	266.0548	NA	KEGG	NA	NA
+MJ018913	4'-Trifluoromethyl-2-biphenylcarboxylic acid 	C14H9F3O2	266.055464	NA	MeJP	NA	NA
+MJ018914	Fenobam 	C11H11ClN4O2	266.057053	NA	MeJP	NA	NA
+MJ018915	4,4'-Biphenyldiglyoxaldehyde 	C16H10O4	266.057908	NA	MeJP	NA	NA
+MJ018916	Aristololide; Demethoxy, 9,10?-dihydro 	C16H10O4	266.057908	NA	MeJP	NA	NA
+MJ018917	3-Phenyl-2-propenoic acid, 3-(Methylsulfonyl)-2-propenyl ester (E-) 	C13H14O4S	266.061279	NA	MeJP	NA	NA
+MJ018918	5,6-Diethoxybenzo[b]thiophene-2-carboxylic acid 	C13H14O4S	266.061279	NA	MeJP	NA	NA
+MJ018919	6,7-Dihydroxy-5-methyl-4-(methylthio)-2H-1-benzopyran-2-one; Di-Me ether 	C13H14O4S	266.061279	NA	MeJP	NA	NA
+MJ018920	Orazipone 	C13H14O4S	266.061279	NA	MeJP	NA	NA
+MJ018921	3-O-(1-Carboxyethyl)glucuronic acid 	C9H14O9	266.063782	NA	MeJP	NA	NA
+MJ018922	4-O-(1-Carboxyethyl)glucuronic acid 	C9H14O9	266.063782	NA	MeJP	NA	NA
+C01993	5'-Oxoinosine	C10H10N4O5	266.0651	NA	KEGG	NA	NA
+C01994	AMP-ubiquitin	C10H10N4O5	266.0651	NA	KEGG	NA	NA
+MetaCyc02386	9-riburonosylhypoxanthine []	C10H10N4O5	266.065119	NA	metacyc	NA	NA
+MetaCyc02387	5'-dehydroinosine [5'-oxoinosine;]	C10H10N4O5	266.065119	NA	metacyc	NA	NA
+MetaCyc02388	nitecapone [3-(3,4-dihydroxy-5-nitrobenzylidiene)-2,4-pentanedione;]	C12H12N1O6	266.066462	NA	metacyc	NA	NA
+C12120	6-Acetophenazine-1-carboxylic acid	C15H10N2O3	266.0691	NA	KEGG	NA	NA
+C16606	Carbamazepine-o-quinone	C15H10N2O3	266.0691	NA	KEGG	NA	NA
+C17879	Nigakinone	C15H10N2O3	266.0691	NA	KEGG	NA	NA
+MJ018923	1,11-Dimethoxycanthin-6-one; O11-De-Me 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018924	1-Hydroxy-11-methoxycanthin-6-one 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018925	1-Hydroxycanthin-6-one; Me ether, N-oxide 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018926	10-Hydroxy-9-methoxycanthin-6-one 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018927	11-Hydroxy-10-methoxycanthin-6-one 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018928	3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione; N3-Methoxy 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018929	4-Quinazolinol; 3H-form, N-(2-Carboxyphenyl) 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018930	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Ketone 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018931	8-Hydroxy-9-methoxycanthin-6-one 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018932	9-Hydroxycanthin-6-one; Me ether, N3-oxide 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018933	Indacanthinone 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018934	Nigakinone 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018935	Picrasidine Q 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018936	Texaline 	C15H10N2O3	266.069142	NA	MeJP	NA	NA
+MJ018937	4-Hydroxy-4-(4-methoxyphenyl)-1-methyl-5-thioxo-2-imidazolidinone, Me ether 	C12H14N2O3S	266.072513	NA	MeJP	NA	NA
+MJ018938	Tioxidazole 	C12H14N2O3S	266.072513	NA	MeJP	NA	NA
+MJ018939	Tiprinast 	C12H14N2O3S	266.072513	NA	MeJP	NA	NA
+MetaCyc02389	indole-S-cysteine-adduct []	C12H14N2O3S1	266.072513	NA	metacyc	NA	NA
+MJ018940	2,3-Dihydroxypropanoic acid, 3-O-(p-Hydroxycinnamoyl), Me ester 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018941	3,4-Dihydro-5,6,7,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one, 7,8-Methylene, 5,6-di-Me ether 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018942	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; Tetra-Me ether 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018943	5-(4-Carboxy-2,6-dihydroxyphenyl)-4-pentenoic acid, Me ester 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018944	Antafumicin A 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018945	Arthrinone; Deepoxy, 1-deoxy, 3a?-hydroxy 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018946	Baxitozine 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018947	Diaporthin, 3'-Hydroxy 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018948	Dihydrocitrinone 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018949	Djalonensin 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018950	Jensenone 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018951	Luisol B 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018952	Multiforisin A; Ac 	C13H14O6	266.079038	NA	MeJP	NA	NA
+MJ018953	Ruakuric acid 	C13H14O6	266.079038	NA	MeJP	NA	NA
+C12189	Ungeremine	C16H12NO3	266.0817	NA	KEGG	NA	NA
+MJ018954	Acromelic acid B; 2'-Decarboxy 	C12H14N2O5	266.090271	NA	MeJP	NA	NA
+MetaCyc02390	p-aminobenzoyl glutamate []	C12H14N2O5	266.090272	NA	metacyc	NA	NA
+FLIA19NM0002	7-Methoxy-2-methylisoflavone	C17H14O3	266.09429	19725-44-1	knapsack	NA	NA
+MJ018955	1-(3,4-Dihydroxyphenyl)-5-(4-hydroxyphenyl)-1-penten-4-yne 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018956	2,3-Bis(4-hydroxyphenyl)-2-cyclopentene-1-one 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018957	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018958	3-Benzyl-4-phenyl-2,5-furandione; 2?-Alcohol 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018959	4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018960	5-Methoxy-6-methyl-2-phenyl-7H-1-benzopyran-7-one 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018961	6-Hydroxy-1-phenyl-2,4-hexadiyn-1-one; O-(3-Methyl-2-butenoyl) 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018962	6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018963	7-Hydroxy-2-methylisoflavone; Me ether 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018964	9,10-Dimethoxy-2-anthracenecarboxaldehyde 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018965	Benzarone 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018966	Furaprofen 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018967	Sterehirsutinal 	C17H14O3	266.094294	NA	MeJP	NA	NA
+MJ018968	Xylocoumarol 	C17H14O3	266.094294	NA	MeJP	NA	NA
+C14474	Benzarone	C17H14O3	266.0943	NA	KEGG	NA	NA
+C02957	8-Oxodeoxycoformycin	C11H14N4O4	266.1015	NA	KEGG	NA	NA
+C02960	Ceramide 1-phosphate	C19H37NO6PR	266.1015	NA	KEGG	NA	NA
+MJ018969	5'-Deoxy-2'-C-methylinosine 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018970	6-Methylnebularine 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018971	9-Deazaadenosine 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018972	Antibiotic 3671 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018973	Aristeromycin M; 5'-Hydroxy 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018974	Doxofylline 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018975	Tubercidin 	C11H14N4O4	266.101504	NA	MeJP	NA	NA
+MJ018976	Doliracetam 	C16H14N2O2	266.105527	NA	MeJP	NA	NA
+MJ018977	Harmalanine 	C16H14N2O2	266.105527	NA	MeJP	NA	NA
+MJ018978	Miroprofen 	C16H14N2O2	266.105527	NA	MeJP	NA	NA
+MJ018979	Onitin; 9-Deoxy, 9-chloro 	C15H19ClO2	266.107357	NA	MeJP	NA	NA
+MJ018980	Pterosin D, 4-Deoxy, 4-chloro 	C15H19ClO2	266.107357	NA	MeJP	NA	NA
+MJ018981	Pterosin K 	C15H19ClO2	266.107357	NA	MeJP	NA	NA
+MJ018982	2-Amino-2'-deoxyadenosine 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+MJ018983	3'-Amino-3'-deoxyadenosine 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+MJ018984	3'-Azido-2',3'-dideoxy-5-methylcytidine 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+MJ018985	3-(7-Amino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+MJ018986	9-(2-Amino-2-deoxyribofuranosyl)adenine; ?-D-form 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+MJ018987	Antibiotic SS 237 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+MJ018988	Aramine 	C10H14N6O3	266.112738	NA	MeJP	NA	NA
+CJpos0664	Phenylacetylglutamine [(M+H)]+ (18O)	C13H17N2O318O	266.114675	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0664	Phenylacetylglutamine [(M+H)]+ (18O)	C13H17N2O318O	266.114675	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+8185	ACE inhibitor	TF	266.115	NA  ;SYN:1 methylhistidine; 1-methyl histidine; 1-MHis; 1-Methyl-Histidine; 1-Methyl-L-histidine; 1-N-Methyl-L-histidine; L-1-Methylhistidine; N1-Methyl-L-histidine; pi-methylhistidineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ018989	1-(2,3,4,6-Tetrahydroxyphenyl)-2-buten-1-one, Tetra-Me ether 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018990	2,3-Dihydro-2,5,7-trihydroxy-2-isopropyl-6-methyl-4H-1-benzopyran-4-one; 7-Me ether 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018991	2,3-Dihydro-2,5,7-trihydroxy-2-isopropyl-8-methyl-4H-1-benzopyran-4-one; 7-Me ether 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018992	2,4,6-Trihydroxy-3-methyl-5-(3-methyl-1-oxopentyl)benzaldehyde 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018993	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, Ac 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018994	3-Nor-4-oxo-3,4-seco-1(10),11(13)-eremophiladiene-2,12-dioic acid 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018995	4-Hydroxynorpsilotropin; 4?-form 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018996	5-Acetyl-2,3-dihydro-4,6-dihydroxy-2-(2-hydroxyisopropyl)benzofuran, 4-Me ether 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018997	Deliquinone; 2,9-Epoxide 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018998	Gilmicolin 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ018999	Glutinosol 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019000	Gregatin E 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019001	Lachnumlactone A 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019002	Oxformasine 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019003	Papyracone B; 2'-Ketone 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019004	Papyracone B; ?3-Isomer, 2'-ketone 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019005	Pterosin T; 12-Hydroxy 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019006	Pterosin T; 15-Hydroxy 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019007	Setulosopterosin 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019008	Trichocolein; 3',4'-Epoxide 	C14H18O5	266.115423	NA	MeJP	NA	NA
+MJ019009	Vertinolide; 1'?-Hydroxy 	C14H18O5	266.115423	NA	MeJP	NA	NA
+CJneg0486	Phenylacetylglutamine [(M-H)]- (18O)	C13H15N2O318O	266.115825	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0487	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (18O)	C13H15N2O318O	266.115825	C18rt(min)=5.64 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0486	Phenylacetylglutamine [(M-H)]- (18O)	C13H15N2O318O	266.115825	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0487	N-Acetyl-5-hydroxytryptamine (N-Acetyl-serotonine) [(M-H)+(HCOOH)]- (18O)	C13H15N2O318O	266.115825	C18rt(min)=5.64 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ019010	Fepitrizol 	C15H14N4O	266.116761	NA	MeJP	NA	NA
+MJ019011	N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea 	C15H14N4O	266.116761	NA	MeJP	NA	NA
+MJ019012	Nevirapine 	C15H14N4O	266.116761	NA	MeJP	NA	NA
+C07263	Nevirapine	C15H14N4O	266.1168	NA	KEGG	NA	NA
+C11739	SB 200646	C15H14N4O	266.1168	NA	KEGG	NA	NA
+C12188	Vasconine	C17H16NO2	266.1181	NA	KEGG	NA	NA
+3980	ACE inhibitor	VAGTW	266.126	MH2+	Inhouse_peptide	NA	peptide
+3397	ACE inhibitor (fr, of b-casein, 140-143)	LQSW	266.1265	MH2+	Inhouse_peptide	NA	peptide
+MJ019013	1-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(1-propenyl)-2,4(1H,3H)-pyrimidinedione 	C13H18N2O4	266.126657	NA	MeJP	NA	NA
+MJ019014	2-(4-Hydroxy-3-nitrophenyl)ethylamine; N-(3-Methylbutanoyl) 	C13H18N2O4	266.126657	NA	MeJP	NA	NA
+MJ019015	5-Octanoylamino-2,3,6(1H)-pyridinetrione 	C13H18N2O4	266.126657	NA	MeJP	NA	NA
+MJ019016	?-Glutamyltyramine 	C13H18N2O4	266.126657	NA	MeJP	NA	NA
+MJ019017	Glutamine, N5-(4-Methoxybenzyl) 	C13H18N2O4	266.126657	NA	MeJP	NA	NA
+PJ000126	TF 	C13H18N2O4	266.1267	NA	PeJP	NA	NA
+MJ019018	2,2-Dimethyl-5-phenyl-2H-1-benzopyran-7-ol; Me ether 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019019	2,2-Dimethyl-7-phenyl-2H-1-benzopyran-5-ol; Me ether 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019020	3',5-Di(2-propenyl)-2,4'-biphenyldiol 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019021	3,5-Tridecadiene-7,9,11-triyn-1-ol, 3-Methyl-2-butenoyl 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019022	3-Hydroxyestra-1,3,5,7,9-pentaen-17-one 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019023	3-Phenyl-2-propen-1-ol, (3-Phenylpropanoyl) 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019024	4-Methylenemiltirone 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019025	9,10-Dihydro-1,7-dihydroxy-2,8-dimethyl-4-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019026	9,10-Dihydro-2,3-dihydroxy-1,7-dimethyl-5-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019027	9,10-Dihydro-2,7-dihydroxy-1,6-dimethyl-5-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019028	9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019029	9,10-Dihydro-2,8-dihydroxy-1,6-dimethyl-5-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019030	9,10-Dihydro-2-hydroxy-6-(hydroxymethyl)-1-methyl-5-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019031	9,10-Dihydro-2-hydroxy-7-(hydroxymethyl)-1-methyl-5-vinylphenanthrene 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019032	Anolignan B 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019033	Conocarpan 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019034	Demetric acid 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019035	Dienestrol 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019036	Hinokiresinol, 4'-Me ether 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019037	Indenestrol A 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019038	Indenestrol B 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019039	Isoequilenin 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019040	Isomagnolol 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019041	Magnolol 	C18H18O2	266.130679	NA	MeJP	NA	NA
+MJ019042	Xenyhexenic acid 	C18H18O2	266.130679	NA	MeJP	NA	NA
+C08090	Dienestrol	C18H18O2	266.1307	NA	KEGG	NA	NA
+C10630	Honokiol	C18H18O2	266.1307	NA	KEGG	NA	NA
+C10651	Magnolol	C18H18O2	266.1307	NA	KEGG	NA	NA
+C14303	Equilenin	C18H18O2	266.1307	NA	KEGG	NA	NA
+C14545	(S)-Indenestrol A	C18H18O2	266.1307	NA	KEGG	NA	NA
+C14546	(R)-Indenestrol A	C18H18O2	266.1307	NA	KEGG	NA	NA
+C14547	(S)-Indenestrol B	C18H18O2	266.1307	NA	KEGG	NA	NA
+C14548	(R)-Indenestrol B	C18H18O2	266.1307	NA	KEGG	NA	NA
+MJ019043	2,4-Pentanediol, 2-O-?-D-Glucopyranoside 	C11H22O7	266.136553	NA	MeJP	NA	NA
+C09052	Borreline	C17H18N2O	266.1419	NA	KEGG	NA	NA
+MJ019044	Borreline 	C17H18N2O	266.141913	NA	MeJP	NA	NA
+MJ019045	Ervaticine 	C17H18N2O	266.141913	NA	MeJP	NA	NA
+MJ019046	Guatambuine, 3-Hydroxy, N-De-Me 	C17H18N2O	266.141913	NA	MeJP	NA	NA
+C09702	Mukaadial	C15H22O4	266.1518	NA	KEGG	NA	NA
+C09717	Rugosal	C15H22O4	266.1518	NA	KEGG	NA	NA
+C10840	Zinniol	C15H22O4	266.1518	NA	KEGG	NA	NA
+C13454	Xanthoxic acid	C15H22O4	266.1518	NA	KEGG	NA	NA
+MJ019047	1,10-Dihydroxy-11(13)-eremophilen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019048	1,10-Dihydroxy-3-guaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019049	1,10-Epoxy-11(13)-eremophilen-12,8-olide, 2?-Hydroxy, 11?,13-dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019050	1,10-Epoxy-11(13)-eremophilen-12,8-olide, 2?-Hydroxy, 11?,13-dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019051	1,10-Epoxy-11(13)-eremophilen-12,8-olide, 3?-Hydroxy, 11?,13-dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019052	1,10:4,5-Diepoxy-11(13)-germacren-12,8-olide, 11?,13?-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019053	1,10:4,5-Diepoxy-11(13)-germacren-12,8-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019054	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019055	1,2-Dihydroxy-4(15)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019056	1,3,7-Trihydroxy-2(9)-illuden-8-one 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019057	1,3-Dihydroxy-12,6-eudesmanolide, 3-Ketone 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019058	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019059	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019060	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019061	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019062	1,3-Dihydroxy-4,9-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019063	1,3-Dihydroxy-4-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019064	1,3-Dihydroxy-5,11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019065	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019066	1,4-Dihydroxy-11(13)-eudesmen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019067	1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid, 4-Ketone 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019068	1,4-Dihydroxy-5-eudesmen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019069	1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019070	1,4:4,5-Diepoxy-11(13)-xanthen-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019071	1,5-Dihydroxy-3-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019072	1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019073	1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019074	1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019075	1,6-Dihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019076	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019077	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019078	1,7-Dihydroxy-1,3,5-bisabolatrien-15-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019079	1,8-Dihydroxy-3-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019080	1,8-Dihydroxy-4(15)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019081	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019082	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019083	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019084	1,8-Dihydroxy-4,9-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019085	1,9-Dihydroxy-3-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019086	1,9-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019087	1,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019088	1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019089	1,9-Dihydroxy-5,11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019090	10,14-Dihydroxy-4(15)-guaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019091	10,14-Epoxy-4(15)-guaien-12,6-olide, 3?-Hydroxy, 4?,15-dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019092	10-Hydroxy-3-oxo-12,6-guaianolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019093	10-Hydroxy-4-oxo-12,6-pseudoguaianolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019094	11,15-Dihydroxy-1,3-elemadien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019095	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019096	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019097	2,3-Dihydroxy-5,11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019098	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019099	2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019100	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019101	2,4-Dihydroxy-5,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019102	2,5,13-Trihydroxy-6-protoilluden-8-one 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019103	2,7-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019104	2,8-Dihydroxy-4(6)-lactaren-5,14-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019105	2,8-Dihydroxy-4,10(14)-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019106	2-Hydroxy-5-eudesmen-12,8-olide, 11?-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019107	3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019108	3,10-Dihydroxy-4,11(13)-muuroladien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019109	3,10-Dihydroxy-7(11)-eremophilen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019110	3,11,12-Trihydroxy-6,9-eremophiladien-8-one 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019111	3,14-Dihydroxy-1(10),4-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019112	3,14-Dihydroxy-7-drimen-12,11-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019113	3,15-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 11,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019114	3,4-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019115	3,4-Dihydroxy-11(13)-pseudoguaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019116	3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019117	3,4-Dihydroxy-7-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019118	3,4-Dihydroxy-9-guaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019119	3,4-Epoxy-1-hydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019120	3,5-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019121	3,5-Dihydroxy-4(15)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019122	3,5-Dihydroxy-6,7-megastigmadien-9-one; 3-Ac 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019123	3,6-Dihydroxy-1(10),4-germacradien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019124	3,7-Dihydroxy-4-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019125	3,8,14-Trihydroxy-6-lactaren-5,14-olide, 14-Deoxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019126	3,8-Dihydroxy-1(10),4-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019127	3,8-Dihydroxy-10(14)-guaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019128	3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019129	3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019130	3,8-Dihydroxy-4(15)-guaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019131	3,8-Dihydroxy-4,9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019132	3,9-Dihydroxy-10(14)-guaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019133	3,9-Dihydroxy-4,10(14)-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019134	3,9-Dihydroxy-4-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019135	3,9-Dihydroxy-7-drimen-12,11-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019136	3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-(4-Methylpentanoyl) 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019137	3-(3,4-Dihydroxyphenyl)propanoic acid; 4-Methylpentyl ester 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019138	3-Hydroxy-1(10),4-germacradien-12,6-olide, 1?,10?-Epoxide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019139	4,10-Dihydroxy-11(13)-guaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019140	4,10-Dihydroxy-2,11(13)-guaiadien-12,6-olide, 2,3-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019141	4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019142	4,10-Dihydroxy-7(11)-guaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019143	4,10-Epoxy-3-hydroxy-12,8-guaianolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019144	4,13-Dihydroxy-7(11)-eudesmadien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019145	4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019146	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019147	4,15-Scirpenediol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019148	4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me, O1-(3-methyl-2-butenyl) 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019149	4,5-Dihydroxy-11(13)-guaien-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019150	4,5-Dioxo-4,5-seco-11(13)-cadinen-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019151	4,5-Epoxy-2-hydroxy-1(10)-germacren-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019152	4,5-Epoxy-3-hydroxy-1(10)-germacren-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019153	4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradien-12,8-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019154	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019155	4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019156	4,6-Dihydroxy-11(13)-eudesmen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019157	4,7-Dihydroxy-11(13)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019158	4,7-Scirpenediol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019159	4,8-Dihydroxy-11(13)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019160	4,8-Dihydroxy-6-lactaren-14,5-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019161	4,9-Dihydroxy-1(5),11(13)-xanthadien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019162	4,9-Epoxy-5-hydroxy-11(13)-germacren-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019163	4-Hydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 11,13-dihydro, 11?-hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019164	5,14-Epoxy-5,7(14)-lactaradiene-3,8,12-triol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019165	5,7-Dihydroxy-p-menth-1(6)-en-2-one, 7-Tigloyl 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019166	5,7-Epoxy-11-oxo-6,7-seco-6,7-pinguisanolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019167	5,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019168	5,9-Dihydroxy-4(15)-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019169	5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019170	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019171	5-Hydroxy-14-oxo-3-cedren-15-oic acid, 14-Alcohol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019172	6,7-Dihydroxy-8-drimen-11,12-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019173	6,7-Dihydroxy-8-drimen-12,11-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019174	6,8-Dihydroxy-7(11)-eremophilen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019175	6,9-Dihydroxy-3(15)-caryophyllene-4,8-dione 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019176	6,9-Dihydroxy-7-drimen-12,11-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019177	6,9-Dihydroxy-7-drimene-11,12-dial 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019178	6-Hydroxy-2-sterpuren-12-oic acid; 14-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019179	6-Protoilludene-4,5,8,14-tetrol, 5-Ketone 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019180	7,10-Epidioxy-6-hydroxy-1(5)-guaien-2-one 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019181	7,11-Dihydroxy-8-drimen-12,11-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019182	7,13-Dihydroxy-4-eudesmen-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019183	7,8-Dihydroxy-4(6)-lactaren-5,14-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019184	7,8-Dihydroxy-5,14-marasmanolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019185	7,8:8,12:11,12-Triepoxy-1-eremophilanol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019186	7-Hydroperoxy-4(15)-eudesmen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019187	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019188	8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019189	8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019190	8,10-Dihydroxy-7(11)-eremophilen-12,8-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019191	8,14-Dihydroxy-1(10),4-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019192	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019193	8,15-Dihydroxy-1,3-elemadien-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019194	8,15-Dihydroxy-2,6,10-farnesatrien-1,15-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019195	8,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019196	8-Hydroxy-3-oxo-1(10)-germacren-12,6-olide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019197	8-Hydroxy-3-oxo-12,6-eudesmanolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019198	8-Hydroxy-4(6)-lactaren-5,14-olide, 12-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019199	9,11-Epoxy-3,10(14)-guaiadiene 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019200	9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019201	9,15-Dihydroxy-2,6-humuladiene-5,10-dione 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019202	9-(4-Hydroxyphenyl)nonanoic acid; 3'-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019203	Abscisic acid, 3?-Alcohol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019204	Abscisic acid, 3?-Alcohol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019205	Adhumulinic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019206	Alliacolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019207	Antibiotic 1771A 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019208	Aspterric acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019209	Athanagrandione 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019210	Avenaciolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019211	Brefeldin B 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019212	Clitocybulol A; 7?-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019213	Curvularol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019214	Cyperanic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019215	Deoxyartemisinin 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019216	Fukinolidiol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019217	Furanoeremophilane-1,6,10-triol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019218	Gloeophyllol D 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019219	Humulinic acid C 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019220	Humulinic acid D 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019221	Humulinic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019222	Hymenoxon; 3-Deoxy, 8-epimer 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019223	Illicinone H 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019224	Illifunone 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019225	Ipomeamaronol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019226	Isoleptospermone 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019227	Ivalbin 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019228	Ivambrin 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019229	Kanshone B 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019230	Kanshone D 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019231	Lactarorufin C 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019232	Leptospermone 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019233	Marasmene; 1?,15-Dihydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019234	Marasmene; 3?,15-Dihydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019235	Massarinolin B 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019236	Massarinolin C 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019237	Michampanolide 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019238	Pernetic acid D 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019239	Rugosal A 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019240	Rugosal D 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019241	Sambucinol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019242	Sambucoin; 8?-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019243	Sambucoin; 8?-Hydroxy 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019244	Shonachalin B 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019245	Sporol 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019246	Themoidin 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019247	Versicolactone C 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019248	Zafronic acid 	C15H22O4	266.151809	NA	MeJP	NA	NA
+MJ019249	1-Dodecyl sulfate 	C12H26O4S	266.15518	NA	MeJP	NA	NA
+MJ019250	2,4,6-Trimethyl-1-nonanol; O-Sulfate 	C12H26O4S	266.15518	NA	MeJP	NA	NA
+C11696	Practolol	C14H22N2O3	266.163	NA	KEGG	NA	NA
+HMDB01924	Atenolol	C14H22N2O3	266.16302	http://www.hmdb.ca/metabolites/HMDB01924	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01924	Atenolol	C14H22N2O3	266.16302	http://www.hmdb.ca/metabolites/HMDB01924	HMDB	NA	NA
+HMDB01924	Atenolol	C14H22N2O3	266.16302	http://www.hmdb.ca/metabolites/HMDB01924	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01924	Atenolol	C14H22N2O3	266.16302	HMDB01924	PFEM_hmdb_metabocards_official	NA	NA
+MJ019251	Atenolol 	C14H22N2O3	266.163042	NA	MeJP	NA	NA
+MJ019252	Bucolome 	C14H22N2O3	266.163042	NA	MeJP	NA	NA
+MJ019253	Practolol 	C14H22N2O3	266.163042	NA	MeJP	NA	NA
+MJ019254	Trimetazidine 	C14H22N2O3	266.163042	NA	MeJP	NA	NA
+HMDB01924	Atenolol	C14H22N2O3	266.163055	NA	HMDB2010	NA	NA
+C14439	Tributyl phosphate	C12H27O4P	266.1647	NA	KEGG	NA	NA
+MJ019255	1,3-Bis(4-ethylphenyl)-1-propanone 	C19H22O	266.167065	NA	MeJP	NA	NA
+MJ019256	1,7-Diphenyl-6-hepten-3-ol 	C19H22O	266.167065	NA	MeJP	NA	NA
+MJ019257	2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; Deoxy 	C19H22O	266.167065	NA	MeJP	NA	NA
+MJ019258	Aspidospermatidine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019259	Cyclizine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019260	Delfaprazine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019261	Desipramine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019262	Mezepine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019263	Sifaprazine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019264	Tubifolidine; 1,2-Didehydro 	C18H22N2	266.178298	NA	MeJP	NA	NA
+MJ019265	Uleine 	C18H22N2	266.178298	NA	MeJP	NA	NA
+C06930	Cyclizine	C18H22N2	266.1783	NA	KEGG	NA	NA
+C06943	Desipramine	C18H22N2	266.1783	NA	KEGG	NA	NA
+MJ019266	10-Hydroxy-7,11,13-hexadecatrienoic acid 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019267	11-(2-Cyclopentenyl)undecanoic acid, 4'-Oxo 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019268	11-Hydroxy-2,9-bisaboladien-15-oic acid, Me ester 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019269	12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid; ent-form 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019270	13,14,15,16-Tetranor-12,8-labdanolide; 8?-form, 3?-Hydroxy 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019271	13,14,15,16-Tetranor-12,8-labdanolide; 8?-form, 6?-Hydroxy 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019272	13,14,15,16-Tetranor-3-clerodene-12,18-diol; ent-form, 12-Carboxylic acid 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019273	17-Hydroxy-13,14,15,16-tetranor-7-labden-12-oic acid; ent-form 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019274	3,4-Dihydroxy-1,10-bisaboladien-9-one, 3-Me ether 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019275	3,7,11-Trimethyl-10-oxo-2,6-dodecadienoic acid, Me ester 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019276	3-Oxo-2-(2-pentenyl)-1-cyclopentanehexanoic acid 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019277	4,10-Dihydroxy-7(11)-guaien-8-one, 10-Me ether 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019278	4-Hydroxy-11(13)-eudesmen-12-oic acid; 4?-form, Me ester 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019279	4-Muurolene-7,15-diol, 15-Carboxylic acid, Me ester 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019280	6,12-Epoxy-1(10),4-germacradiene-8,12-diol, 12-Me ether 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019281	7-Hydroxy-2,10-bisaboladien-15-oic acid, Me ester 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019282	7-Hydroxy-8,10,13-hexadecatrienoic acid 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019283	9-Oxo-2-bisabolen-15-oic acid, Me ester 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019284	Antibiotic Ro 09-1547 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019285	Antibiotic Ro 09-1549 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019286	Diversifolol 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019287	Pallescensolide; 3,3a-Dihydro 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019288	Phomodiol 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MJ019289	Raspailynes; Raspailyne B2 	C16H26O3	266.188194	NA	MeJP	NA	NA
+MetaCyc02391	(2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate []	C16H26O3	266.188195	NA	metacyc	NA	NA
+C04834	(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic	C16H26O3	266.1882	NA	KEGG	NA	NA
+C09693	Juvabione	C16H26O3	266.1882	NA	KEGG	NA	NA
+C09694	Juvenile hormone III	C16H26O3	266.1882	NA	KEGG	NA	NA
+MJ019290	Aphyllic acid 	C15H26N2O2	266.199428	NA	MeJP	NA	NA
+MJ019291	Pohakuline 	C15H26N2O2	266.199428	NA	MeJP	NA	NA
+MJ019292	Virgidivarine 	C15H26N2O2	266.199428	NA	MeJP	NA	NA
+MJ019293	1,11,14-Heptadecatriene-8,9-diol 	C17H30O2	266.22458	NA	MeJP	NA	NA
+MJ019294	15-Methyl-5,9-hexadecadienoic acid 	C17H30O2	266.22458	NA	MeJP	NA	NA
+MJ019295	6,9-Heptadecadienoic acid 	C17H30O2	266.22458	NA	MeJP	NA	NA
+MJ019296	6-Isopropyl-3,9-dimethyl-5,8-decadien-1-ol, Ac 	C17H30O2	266.22458	NA	MeJP	NA	NA
+MJ019297	Capensifuranone 	C17H30O2	266.22458	NA	MeJP	NA	NA
+MJ019298	11-Octadecenal 	C18H34O	266.260965	NA	MeJP	NA	NA
+MJ019299	13-Octadecenal 	C18H34O	266.260965	NA	MeJP	NA	NA
+MJ019300	2-(2-Octenyl)-3-octyloxirane 	C18H34O	266.260965	NA	MeJP	NA	NA
+MJ019301	2-Octadecenal 	C18H34O	266.260965	NA	MeJP	NA	NA
+MJ019302	3,13-Octadecadien-1-ol 	C18H34O	266.260965	NA	MeJP	NA	NA
+MJ019303	9-Octadecenal 	C18H34O	266.260965	NA	MeJP	NA	NA
+MJ019304	1-Nonadecene 	C19H38	266.297351	NA	MeJP	NA	NA
+MJ019305	14-Methyl-1-octadecene 	C19H38	266.297351	NA	MeJP	NA	NA
+MJ019306	2,6,10,14-Tetramethyl-1-pentadecene 	C19H38	266.297351	NA	MeJP	NA	NA
+MJ019307	2-Methyl-7-octadecene 	C19H38	266.297351	NA	MeJP	NA	NA
+MJ019308	9-Nonadecene 	C19H38	266.297351	NA	MeJP	NA	NA
+MJ019309	4,5-Dibromo-1H-pyrrole-2-carboxylic acid 	C5H3Br2NO2	266.853053	NA	MeJP	NA	NA
+MJ019310	4,5-Dibromo-1H-pyrrole-2-methanol; Me ether 	C6H7Br2NO	266.889439	NA	MeJP	NA	NA
+C00102	2,6-Dichloroindophenol	C12H7Cl2NO2	266.9854	NA	KEGG	NA	NA
+MJ019311	6-Bromo-1H-indole-3-acetic acid; Me ester 	C11H10BrNO2	266.989491	NA	MeJP	NA	NA
+MJ019312	6-Bromo-1H-indole-3-carboxylic acid; Et ester 	C11H10BrNO2	266.989491	NA	MeJP	NA	NA
+MJ019313	Tambjamine A; 5'-Bromo 	C10H10BrN3O	267.000724	NA	MeJP	NA	NA
+MJ019314	Piridronic acid 	C7H11NO6P2	267.00616	NA	MeJP	NA	NA
+MJ019315	2-Furanmethanamine; N-Tri-Me, iodide 	C8H14INO	267.012007	NA	MeJP	NA	NA
+C10956	Oxycarboxin	C12H13NO4S	267.0565	NA	KEGG	NA	NA
+MJ019316	N,N-Bis(2-chloroethyl)-2-naphthylamine 	C14H15Cl2N	267.058154	NA	MeJP	NA	NA
+C15411	beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride	C14H14ClN	267.0582	NA	KEGG	NA	NA
+C16446	Chlornaphazine	C14H15Cl2N	267.0582	NA	KEGG	NA	NA
+HMDB01410	2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine	C9H9N5O5	267.06036	http://www.hmdb.ca/metabolites/HMDB01410	HMDB	NA	NA
+HMDB01410	2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine	C9H9N5O5	267.06036	HMDB01410	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01410	2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine	C9H9N5O5	267.060364	NA	HMDB2010	NA	NA
+MJ019317	Sulfafurazole 	C11H13N3O3S	267.067761	NA	MeJP	NA	NA
+MJ019318	Sulfamoxole 	C11H13N3O3S	267.067761	NA	MeJP	NA	NA
+MJ019319	Sulfatroxazole 	C11H13N3O3S	267.067761	NA	MeJP	NA	NA
+C07318	Sulfisoxazole	C11H13N3O3S	267.0678	NA	KEGG	NA	NA
+MJ019320	Antibiotic A 58365A 	C12H13NO6	267.074287	NA	MeJP	NA	NA
+MJ019321	Glutamic acid, N-(4-Hydroxybenzoyl) 	C12H13NO6	267.074287	NA	MeJP	NA	NA
+MJ019322	S-Ribosyl-L-homocysteine 	C9H17NO6S	267.077658	NA	MeJP	NA	NA
+MetaCyc02392	S-ribosyl-L-homocysteine [S-Ribosylhomocysteine;Ribose-5-S-homocysteine;S-Ribosyl-L-homocysteine;S-D-ribosyl-L-homocysteine;ribose-5-S-homocysteine;S-ribosylhomocysteine;S-(5-deoxy-D-ribos-5-yl)-L-homocysteine;]	C9H17N1O6S1	267.077658	37558-16-0	metacyc	NA	NA
+C03539	S-Ribosyl-L-homocysteine	C9H17NO6S	267.0777	NA	KEGG	NA	NA
+C03541	Tetrahydrofolyl-[Glu](n)	C19H23N7O6	267.0777	NA	KEGG	NA	NA
+C03544	[Xanthine dehydrogenase]	C19H23N7O6	267.0777	NA	KEGG	NA	NA
+MJ019323	5-Ethynyl-1-?-D-ribofuranosyl-1H-imidazole-4-carboxamide 	C11H13N3O5	267.08552	NA	MeJP	NA	NA
+MJ019324	7-Deazainosine 	C11H13N3O5	267.08552	NA	MeJP	NA	NA
+MJ019325	9-Deazainosine 	C11H13N3O5	267.08552	NA	MeJP	NA	NA
+MJ019326	Propenidazole 	C11H13N3O5	267.08552	NA	MeJP	NA	NA
+MJ019327	Pyrrolosine 	C11H13N3O5	267.08552	NA	MeJP	NA	NA
+MJ019328	2'-Amino-3'-hydroxyflavone; Me ether 	C16H13NO3	267.089543	NA	MeJP	NA	NA
+MJ019329	Anhydrolycorin-7-one; Deoxo, 4-hydroxy 	C16H13NO3	267.089543	NA	MeJP	NA	NA
+MJ019330	Zefbetaine 	C16H13NO3	267.089543	NA	MeJP	NA	NA
+MJ019331	Antibiotic Tu 3010 	C13H17NO3S	267.092914	NA	MeJP	NA	NA
+MJ019332	Antibiotic U 68204 	C13H17NO3S	267.092914	NA	MeJP	NA	NA
+MJ019333	N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]-?-alanine 	C13H17NO3S	267.092914	NA	MeJP	NA	NA
+C06469	Neuraminic acid	C9H17NO8	267.0954	NA	KEGG	NA	NA
+C08507	Miserotoxin	C9H17NO8	267.0954	NA	KEGG	NA	NA
+MJ019334	Neuraminic acid 	C9H17NO8	267.095416	NA	MeJP	NA	NA
+HMDB00830	Neuraminic acid	C9H17NO8	267.095428	NA	HMDB2010	NA	NA
+HMDB00830	Neuraminic acid	C9H17NO8	267.09543	http://www.hmdb.ca/metabolites/HMDB00830	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00830	Neuraminic acid	C9H17NO8	267.09543	http://www.hmdb.ca/metabolites/HMDB00830	HMDB	NA	NA
+HMDB00830	Neuraminic acid	C9H17NO8	267.09543	http://www.hmdb.ca/metabolites/HMDB00830	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00830	Neuraminic acid	C9H17NO8	267.09543	HMDB00830	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0665	Adenosine [M+H]+	C10H14O4N5	267.096175	C18rt(min)=1.08 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0665	Adenosine [M+H]+	C10H14O4N5	267.096175	C18rt(min)=1.08 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00050	Adenosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00050	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00085	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00050	Adenosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00050	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00085	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00050	Adenosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00050	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00085	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00050	Adenosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00050	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00085	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00050	Adenosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00050	HMDB	NA	NA
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00085	HMDB	NA	NA
+HMDB00050	Adenosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00050	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	http://www.hmdb.ca/metabolites/HMDB00085	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00050	Adenosine	C10H13N5O4	267.09674	HMDB00050	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.09674	HMDB00085	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00050	Adenosine	C10H13N5O4	267.096741	NA	HMDB2010	NA	NA
+HMDB00085	Deoxyguanosine	C10H13N5O4	267.096741	NA	HMDB2010	NA	NA
+MJ019335	Adenosine 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019336	Deoxyguanosine 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019337	2'-Deoxyribofuranosylguanine; ?-D-form 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019338	5'-Deoxyguanosine 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019339	7-Ribofuranosyladenine; ?-D-form 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019340	7-Ribofuranosyladenine; ?-D-form 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019341	9-Arabinofuranosyladenine; ?-D-form 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019342	Adenosine 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019343	Antibiotic S 685 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019344	Formycin A 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MJ019345	Zidovudine 	C10H13N5O4	267.096753	NA	MeJP	NA	NA
+MetaCyc02393	9-riburonosyladenine [2-[(6-amino-4,9-dihydro-1H-purin-9-yl)]-4-hydroxy-5- (hydroxymethyl)tetrahydrofuran-3-one;]	C10H13N5O4	267.096754	NA	metacyc	NA	NA
+MetaCyc02394	adenosine [adenine-D-ribose;]	C10H13N5O4	267.096754	58-61-7	metacyc	NA	NA
+MetaCyc02395	deoxyguanosine [2'-deoxyguanosine;]	C10H13N5O4	267.096754	961-07-9	metacyc	NA	NA
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR633	Adenosine 	NA	267.096755	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR633	Adenosine 	NA	267.096755	268.103955	Inhouse_sept12	NA	NA
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR633	Adenosine 	NA	267.096755	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR633	Adenosine 	[M+H]+	267.0968	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR633	Adenosine 	[M+H]+	267.0968	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR633	Adenosine 	[M+H]+	267.0968	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR633	Adenosine 	[M+H]+	267.0968	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00212	Adenosine	C10H13N5O4	267.0968	NA	KEGG	NA	NA
+C00330	Deoxyguanosine	C10H13N5O4	267.0968	NA	KEGG	NA	NA
+C07210	Zidovudine	C10H13N5O4	267.0968	NA	KEGG	NA	NA
+MJ019346	Prinomide 	C15H13N3O2	267.100776	NA	MeJP	NA	NA
+C10958	Prinomide	C15H13N3O2	267.1008	NA	KEGG	NA	NA
+MJ019347	Damotepine 	C17H17NS	267.10817	NA	MeJP	NA	NA
+MJ019348	Tisoquone 	C17H17NS	267.10817	NA	MeJP	NA	NA
+MJ019349	1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxy-1-isoquinolinecarboxylic acid; Me ether 	C13H17NO5	267.110672	NA	MeJP	NA	NA
+MJ019350	2-(Hydroxyacetyl)-1H-pyrrole; N-(2-Acetoxypropyl), O-Ac 	C13H17NO5	267.110672	NA	MeJP	NA	NA
+MJ019351	Gardenamide; N-(2-Hydroxyethyl) 	C13H17NO5	267.110672	NA	MeJP	NA	NA
+MJ019352	Mortivinacin B 	C13H17NO5	267.110672	NA	MeJP	NA	NA
+MJ019353	N-(2,4-Dihydroxy-3,5,6-trimethylbenzoyl)glycine; Me ester 	C13H17NO5	267.110672	NA	MeJP	NA	NA
+MJ019354	Peyoruvic acid 	C13H17NO5	267.110672	NA	MeJP	NA	NA
+MJ019355	Imidoline 	C13H18ClN3O	267.113839	NA	MeJP	NA	NA
+MJ019356	Lincosamine; ?-Pyranose-form, 1-Thio, Me glycoside, 7-Me ether 	C10H21NO5S	267.114043	NA	MeJP	NA	NA
+6988	coeliac toxic peptide	QQPY	267.1155	MH2+	Inhouse_peptide	NA	peptide
+C01550	Agaritine	C12H17N3O4	267.1219	NA	KEGG	NA	NA
+MJ019357	Agaritine 	C12H17N3O4	267.121906	NA	MeJP	NA	NA
+MetaCyc02396	agaritine []	C12H17N3O4	267.121906	2757-90-6	metacyc	NA	NA
+CJneg0488	Butyrylcarnitine [(M+Cl)]-	C11H21ClNO4	267.123925	C18rt(min)=4.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0488	Butyrylcarnitine [(M+Cl)]-	C11H21ClNO4	267.123925	C18rt(min)=4.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C09368	(-)-Caaverine	C17H17NO2	267.1259	NA	KEGG	NA	NA
+C12235	Assoanine	C17H17NO2	267.1259	NA	KEGG	NA	NA
+C14921	3-Oxo-N-phenyl-N-(phenylmethyl)butanamide	C17H17NO2	267.1259	NA	KEGG	NA	NA
+C15325	6-Azaequilenin	C17H17NO2	267.1259	NA	KEGG	NA	NA
+MJ019358	2,3-Epoxy-6,8-nonadiynoic acid; 2-Phenylethylamide 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019359	2-Phenylethylamine; N-(4-Hydroxycinnamoyl)(E-) 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019360	4-(2-Aminoethyl)phenol; N-Cinnamoyl 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019361	Apomorphine 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019362	Assoanine 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019363	Caaverine 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019364	Dihydrexidine 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019365	Etazepine 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019366	Memotine 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019367	Nuciferine, O2,N-Di-de-Me 	C17H17NO2	267.125928	NA	MeJP	NA	NA
+MJ019368	Voglibose 	C10H21NO7	267.131802	NA	MeJP	NA	NA
+MJ019369	Cafaminol 	C11H17N5O3	267.133139	NA	MeJP	NA	NA
+MJ019370	3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone 	C16H17N3O	267.137162	NA	MeJP	NA	NA
+MJ019371	Lysergic acid, Amide 	C16H17N3O	267.137162	NA	MeJP	NA	NA
+MJ019372	Lysergic acid, C8-Epimer, amide 	C16H17N3O	267.137162	NA	MeJP	NA	NA
+C09160	Ergine	C16H17N3O	267.1372	NA	KEGG	NA	NA
+MetaCyc02397	L-lysine-p-nitroanilide []	C12H19N4O3	267.145715	NA	metacyc	NA	NA
+MJ019373	1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019374	1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxyisoquinoline; N-Me 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019375	Ambenoxan 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019376	Aspersitin 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019377	Codonopsine 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019378	Tetraminol 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019379	Wasabidienone D 	C14H21NO4	267.147058	NA	MeJP	NA	NA
+MJ019380	Choline; O-(3,4-Dimethoxybenzoyl) 	C14H22NO4(+)	267.147058	NA	MeJP	NA	NA
+C10137	Codonopsine	C14H21NO4	267.1471	NA	KEGG	NA	NA
+C11077	Diethofencarb	C14H21NO4	267.1471	NA	KEGG	NA	NA
+MJ019381	Carbuterol 	C13H21N3O3	267.158291	NA	MeJP	NA	NA
+MetaCyc02398	glycerylphosphorylcholine [choline glycerophosphate;ethanaminium, 2-(((2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)-N,N,N-trimethyl-, inner salt;]	C11H26N1O4P1	267.159945	563-24-6	metacyc	NA	NA
+MJ019382	1-[2-[(1,1'-Biphenyl)-4-yloxy]ethyl]pyrrolidine 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019383	2,4,12-Tetradecatriene-8,10-diynoic acid, Pyrrolidide 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019384	2,4,6,12-Tetradecatetraene-8,10-diynoic acid, 2-Methylpropylamide 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019385	2,8-Decadien-6-ynoic acid, 2-Phenylethylamide 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019386	2-Nonyl-4(1H)-quinolinone; 3',4',6',7'-Tetradehydro 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019387	3,5-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer, 3'',4''-didehydro, 2'R,3'-epoxide 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019388	?,?-Diphenyl-2-piperidinemethanol 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019389	?,?-Diphenyl-3-piperidinemethanol 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019390	?,?-Diphenyl-4-piperidinemethanol 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019391	Antibiotic G 1499-2 	C18H21NO	267.162314	NA	MeJP	NA	NA
+MJ019392	Actinidine, N-(4-Hydroxyphenethyl) 	C18H22NO(+)	267.162314	NA	MeJP	NA	NA
+7864	peptide from prawn muscle (Penaeus japonicus)	FIKK	267.17	MH2+	Inhouse_peptide	NA	peptide
+C10590	Elaeocarpidine	C17H21N3	267.1735	NA	KEGG	NA	NA
+MJ019393	Brevicarine 	C17H21N3	267.173547	NA	MeJP	NA	NA
+MJ019394	Elaeocarpidine 	C17H21N3	267.173547	NA	MeJP	NA	NA
+C07202	Metoprolol	C15H25NO3	267.1834	NA	KEGG	NA	NA
+C07203	Transferred to D00409	C15H25NO3	267.1834	NA	KEGG	NA	NA
+HMDB01932	Metoprolol	C15H25NO3	267.18344	http://www.hmdb.ca/metabolites/HMDB01932	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01932	Metoprolol	C15H25NO3	267.18344	http://www.hmdb.ca/metabolites/HMDB01932	HMDB	NA	NA
+HMDB01932	Metoprolol	C15H25NO3	267.18344	http://www.hmdb.ca/metabolites/HMDB01932	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01932	Metoprolol	C15H25NO3	267.18344	HMDB01932	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01932	Metoprolol	C15H25NO3	267.183441	NA	HMDB2010	NA	NA
+MJ019395	2-Oxo-1-pyrrolidineacetic acid; 3,3,5-Trimethylcyclohexyl ester 	C15H25NO3	267.183443	NA	MeJP	NA	NA
+MJ019396	Butaxamine 	C15H25NO3	267.183443	NA	MeJP	NA	NA
+MJ019397	Metoprolol 	C15H25NO3	267.183443	NA	MeJP	NA	NA
+MJ019398	Dendrobates Alkaloid 251D; 5'?-Hydroxy 	C16H29NO2	267.219829	NA	MeJP	NA	NA
+MJ019399	Dendrobates Alkaloid 251D; 7?-Hydroxy 	C16H29NO2	267.219829	NA	MeJP	NA	NA
+MJ019400	3-(6-Hydroxyheptyl)-5-propylpyrrolizidine 	C17H33NO	267.256214	NA	MeJP	NA	NA
+MJ019401	6-Ethyl-8-(2-hydroxyethyl)-5-pentylindolizidine 	C17H33NO	267.256214	NA	MeJP	NA	NA
+MJ019402	9-Octadecenylamine 	C18H37N	267.2926	NA	MeJP	NA	NA
+8135	peptide derived from rice (Oryza sativa L,)	DHHQ	267.60045	MH2+	Inhouse_peptide	NA	peptide
+7878	peptide from b-casein (ovine milk)	YQEP	267.6075	MH2+	Inhouse_peptide	NA	peptide
+3202	chymotrypsin inhibitor	TPGVY	267.6255	MH2+	Inhouse_peptide	NA	peptide
+3545	ACE inhibitor	VHLAP	267.6495	MH2+	Inhouse_peptide	NA	peptide
+MJ019403	Diiodomethane 	CH2I2	267.824586	NA	MeJP	NA	NA
+MJ019404	3,4-Dibromo-5-methylene-3-cyclopentene-1,2-diol 	C6H6Br2O2	267.873454	NA	MeJP	NA	NA
+MJ019405	Tin(II) tartrate 	C4H4O6Sn	267.902984	NA	MeJP	NA	NA
+C14532	Fenoprop	C9H7Cl3O3	267.9461	NA	KEGG	NA	NA
+MJ019406	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-Deoxy, 1-chloro 	C12H9ClOS2	267.978333	NA	MeJP	NA	NA
+MJ019407	3'-Bromo-4-methoxy-2,2'-bipyrrole-5-carboxaldehyde 	C10H9BrN2O2	267.98474	NA	MeJP	NA	NA
+MJ019408	5'-Bromo-4-methoxy-2,2'-bipyrrole-5-carboxaldehyde 	C10H9BrN2O2	267.98474	NA	MeJP	NA	NA
+C14584	Chlorobenside	C13H10Cl2S	267.988	NA	KEGG	NA	NA
+MJ019409	Dichlorophen 	C13H10Cl2O2	268.005784	NA	MeJP	NA	NA
+C14292	Dichlorophen	C13H10Cl2O2	268.0058	NA	KEGG	NA	NA
+MJ019410	Batzelline A; N-De-Me 	C11H9ClN2O2S	268.007325	NA	MeJP	NA	NA
+MJ019411	Hexahydroxy-1,4-naphthoquinone; 2-Me ether 	C11H8O8	268.021917	NA	MeJP	NA	NA
+MJ019412	5-(2,6-Dichlorophenyl)-6-methyl-2,4-pyrimidinediamine 	C11H10Cl2N4	268.028251	NA	MeJP	NA	NA
+MJ019413	Metoprine 	C11H10Cl2N4	268.028251	NA	MeJP	NA	NA
+MJ019414	Antazonite 	C11H12N2O2S2	268.034019	NA	MeJP	NA	NA
+MJ019415	Dioxibrassinin 	C11H12N2O2S2	268.034019	NA	MeJP	NA	NA
+HMDB02326	Coumesterol	C15H8O5	268.03717	http://www.hmdb.ca/metabolites/HMDB02326	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02326	Coumesterol	C15H8O5	268.03717	http://www.hmdb.ca/metabolites/HMDB02326	HMDB	NA	NA
+FLIE1ANS0001	Coumestrol;Cumestrol;3,9-Dihydroxycoumestan	C15H8O5	268.03717	479-13-0	knapsack	NA	NA
+HMDB02326	Coumesterol	C15H8O5	268.03717	http://www.hmdb.ca/metabolites/HMDB02326	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02326	Coumesterol	C15H8O5	268.03717	HMDB02326	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02326	Coumesterol	C15H8O5	268.03717	NA	HMDB2010	NA	NA
+MJ019416	1,2,5-Trihydroxyanthraquinone; 1,2-Methylene ether 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019417	1,3-Dihydroxyanthraquinone-2-carboxaldehyde 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019418	3-(Hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019419	4,5-Dihydroxyanthraquinone-2-carboxylic acid; Aldehyde 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019420	4-Hydroxyanthraquinone-2-carboxylic acid 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019421	Acuminol A; 6-Hydroxy 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019422	Ayamenin B 	C15H8O5	268.037173	NA	MeJP	NA	NA
+MJ019423	Coumestrol 	C15H8O5	268.037173	NA	MeJP	NA	NA
+C10205	Coumestrol	C15H8O5	268.0372	NA	KEGG	NA	NA
+MJ019424	Nifurtoinol 	C9H8N4O6	268.044384	NA	MeJP	NA	NA
+MJ019425	3,6-Bis(2-methylpropyl)-1,2,4,5-tetrathiane 	C10H20S4	268.044783	NA	MeJP	NA	NA
+C12119	Phenazine-1,6-dicarboxylic acid	C14H8N2O4	268.0484	NA	KEGG	NA	NA
+MJ019426	1,6-Phenazinedicarboxylic acid 	C14H8N2O4	268.048406	NA	MeJP	NA	NA
+C01817	Homocystine	C8H16N2O4S2	268.0551	NA	KEGG	NA	NA
+HMDB00575	DL-Homocystine	C8H16N2O4S2	268.055145	NA	HMDB2010	NA	NA
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.055145	NA	HMDB2010	NA	NA
+MJ019427	Cystine, N,N'-Di-Me 	C8H16N2O4S2	268.055148	NA	MeJP	NA	NA
+MJ019428	Prepsammaplin A 	C8H16N2O4S2	268.055148	NA	MeJP	NA	NA
+MJ019429	Homocystine 	C8H16N2O4S2	268.055148	NA	MeJP	NA	NA
+MetaCyc02399	homocystine []	C8H16N2O4S2	268.055148	462-10-2	metacyc	NA	NA
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00676	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00575	DL-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00575	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00676	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00676	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00676	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00575	DL-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00575	HMDB	NA	NA
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00676	HMDB	NA	NA
+HMDB00575	DL-Homocystine	C8H16N2O4S2	268.05515	NA  ;SYN:2-Acetylamino-3-mercapto-propionate; 2-Acetylamino-3-mercapto-propionic acid;  Acetadote; Acetilcisteina; Acetylcysteine; Acetylcysteinum; Fluimicil Infantil; Fluimucetin;  Flumucetin; Fluprowit;  L-Acetylcysteine; Mercapturic acid; N-Acety-L-Cysteine; N-Acetyl-3-mercaptoalanine; N-Acetyl-L-(+)-cysteine;  N-Acetylcysteine; Sodium 2-acetamido-3-mercaptopropionateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00575	DL-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00575	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	http://www.hmdb.ca/metabolites/HMDB00676	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00575	DL-Homocystine	C8H16N2O4S2	268.05515	HMDB00575	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00676	L-Homocystine	C8H16N2O4S2	268.05515	HMDB00676	PFEM_hmdb_metabocards_official	NA	NA
+MJ019430	2,3-Dihydroxypropanoic acid, 2-O-(3,4-Dihydroxycinnamoyl) 	C12H12O7	268.058302	NA	MeJP	NA	NA
+MJ019431	Brunnescin 	C12H12O7	268.058302	NA	MeJP	NA	NA
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR286	Homocysteine F2	NA	268.059275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR286	Homocysteine F2	NA	268.059275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR286	Homocysteine F2	NA	268.059275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR286	Homocysteine F2	NA	268.059275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR286	Homocysteine F2	F2	268.059275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ019432	2-Fluorospiro[9H-fluorene-9,4'-imidazolidine]-2',5'-dione 	C15H9FN2O2	268.064805	NA	MeJP	NA	NA
+MJ019433	Zardaverine 	C12H10F2N2O3	268.065948	NA	MeJP	NA	NA
+C08566	Portulacaxanthin III	C11H12N2O6	268.0695	NA	KEGG	NA	NA
+MJ019434	N-[(5-Hydroxy-3-pyridinyl)carbonyl]glutamic acid 	C11H12N2O6	268.069536	NA	MeJP	NA	NA
+MJ019435	Portulacaxanthin III 	C11H12N2O6	268.069536	NA	MeJP	NA	NA
+MJ019436	Aprikalim 	C12H16N2OS2	268.070404	NA	MeJP	NA	NA
+HMDB11679	DHAP(6:0)	C9H17O7P	268.071198	NA	HMDB2010	NA	NA
+HMDB02034	Homolanthionine	C8H16N2O6S	268.072906	NA	HMDB2010	NA	NA
+HMDB02034	Homolanthionine	C8H16N2O6S	268.07291	http://www.hmdb.ca/metabolites/HMDB02034	HMDB	NA	NA
+HMDB02034	Homolanthionine	C8H16N2O6S	268.07291	HMDB02034	PFEM_hmdb_metabocards_official	NA	NA
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	PFEM_hmdb_metabocards_urine	NA	urine
+JH179	Formononetin [M+H]+	C16H12O4	268.073	18.95	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH179	Formononetin [M+H]+	C16H12O4	268.073	18.95	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH179	Formononetin [M+H]+	C16H12O4	268.073	18.95	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	HMDB	NA	NA
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	Inhouse_PFEM	NA	NA
+JH179	Formononetin [M+H]+	C16H12O4	268.073	18.95	Inhousejuil11	NA	NA
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	PFEM_hmdb_metabocards_blood	NA	blood
+JH179	Formononetin 	C16H12O4	268.073	Rtobs18.95	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05808	Formononetin	C16H12O4	268.073547	NA	HMDB2010	NA	NA
+HMDB05808	Formononetin	C16H12O4	268.07355	http://www.hmdb.ca/metabolites/HMDB05808	HMDB	NA	NA
+FL3F1ANS0002	Isopratol;4'-Hydroxy-7-methoxyflavone	C16H12O4	268.07355	32272-23-4	knapsack	NA	NA
+FL3F29NS0002	7-Hydroxy-6-methoxyflavone;Trigraecum	C16H12O4	268.07355	38070-97-2	knapsack	NA	NA
+FL3F98NS0003	5-Hydroxy-2'-methoxyflavone	C16H12O4	268.07355	6665-71-0	knapsack	NA	NA
+FL3F99NS0005	5-Hydroxy-6-methoxyflavone	C16H12O4	268.07355	85395-95-5	knapsack	NA	NA
+FL3F9ANS0001	6-Hydroxy-4'-methoxyflavone	C16H12O4	268.07355	63046-09-3	knapsack	NA	NA
+FL3FA9NM0001	Strobochrysin;5,7-Dihydroxy-6-methylflavone;5,7-Dihydroxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one	C16H12O4	268.07355	529-52-2	knapsack	NA	NA
+FL3FA9NS0003	Tectochrysin;5-hydroxy-7-methoxyflavone	C16H12O4	268.07355	520-28-5	knapsack	NA	NA
+FL5F9CNS0001	3-Hydroxy-4'-methoxyflavone	C16H12O4	268.07355	6889-78-7	knapsack	NA	NA
+FLIA1ANS0001	Formononetin	C16H12O4	268.07355	485-72-3	knapsack	NA	NA
+FLIA1ANS0003	Isoformononetin	C16H12O4	268.07355	486-63-5	knapsack	NA	NA
+FLIA9ANS0001	Pallidiflorin;5-Hydroxy-4'-methoxyisoflavone	C16H12O4	268.07355	133086-79-0	knapsack	NA	NA
+FLIAA9NS0001	5-Hydroxy-7-methoxyisoflavone	C16H12O4	268.07355	19725-43-0	knapsack	NA	NA
+FLNA29NS0001	Dalbergin;6-Hydroxy-7-methoxy-4-phenylcoumarin	C16H12O4	268.07355	482-83-7	knapsack	NA	NA
+FLNA29NS0003	Isodalbergin;7-Hydroxy-6-methoxy-4-phenylcoumarin	C16H12O4	268.07355	605-09-4	knapsack	NA	NA
+HMDB05808	Formononetin	C16H12O4	268.07355	HMDB05808	PFEM_hmdb_metabocards_official	NA	NA
+MJ019437	1,2-Dihydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019438	1,2-Dihydroxy-7-methylanthraquinone; 2-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019439	1,3-Dihydroxy-2-methylanthraquinone; 1-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019440	1,3-Dihydroxy-2-methylanthraquinone; 3-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019441	1,3-Dihydroxy-6-methylanthraquinone; 3-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019442	1,3-Dihydroxyanthraquinone; Di-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019443	1,4-Dihydroxy-2-methylanthraquinone; 4-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019444	1,5-Dihydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019445	1,6-Dihydroxy-3-methylanthraquinone; 6-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019446	1,7-Dihydroxy-3-methylanthraquinone; 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019447	1,8-Dihydroxy-2-methylanthraquinone; 8-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019448	1,8-Dihydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019449	1,8-Dihydroxy-3-methylanthraquinone; 8-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019450	2',5-Dihydroxyflavone; 2'-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019451	2,3,4,7-Phenanthrenetetrol; 2,3-Methylene, 4-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019452	3',4'-Dihydroxyflavone; 4'-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019453	3,4'-Dihydroxyflavone; 4'-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019454	3,9-Dihydroxypterocarpene; 3-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019455	4',5-Dihydroxyisoflavone; 4'-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019456	4',7-Dihydroxyflavone; 4'-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019457	4',7-Dihydroxyflavone; 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019458	4',7-Dihydroxyisoflavone; 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019459	5,6-Dihydroxyflavone; 6-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019460	5,7-Dihydroxy-3-methylflavone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019461	5,7-Dihydroxy-6-methylflavone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019462	5,7-Dihydroxy-8-methylflavone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019463	5,7-Dihydroxyflavone; 5-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019464	5,7-Dihydroxyflavone; 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019465	5,7-Dihydroxyisoflavone; 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019466	5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran; 1'-Oxo 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019467	6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 6-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019468	6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019469	6,7-Dihydroxyflavone; 6-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019470	6-(3,4-Dihydroxyphenyl)-2,3-naphthalenediol 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019471	7-Hydroxy-3-(4-hydroxybenzyl)-4-chromone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019472	7-Hydroxy-3-(4-hydroxybenzylidene)-4-chromanone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019473	7-Hydroxy-4'-methoxyisoflavone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019474	7-Hydroxy-8-methoxy-6-methyl-1,2-anthraquinone 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019475	?-Oxo-2-dibenzofuranbutanoic acid 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019476	Dorstegin 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019477	Flavidin; 5-Oxo, 2-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019478	Flavidin; 5-Oxo, 7-Me ether 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019479	Isoxepac 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019480	Maturin; 13-Aldehyde 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019481	Oxepinac 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019482	Vesparione 	C16H12O4	268.073558	NA	MeJP	NA	NA
+MJ019483	4',5,7-Trihydroxyflavylium(1+); 7-Me ether 	C16H13O4(+)	268.073558	NA	MeJP	NA	NA
+MetaCyc02400	isoformononetin []	C16H12O4	268.073559	NA	metacyc	NA	NA
+MetaCyc02401	formononetin [7-hydroxy-4'-methoxyisoflavone;4'-O-methyldaidzein;]	C16H12O4	268.073559	485-72-3	metacyc	NA	NA
+C00858	Formononetin	C16H12O4	268.0736	NA	KEGG	NA	NA
+C10414	Dalbergin	C16H12O4	268.0736	NA	KEGG	NA	NA
+C11621	Tectochrysin	C16H12O4	268.0736	NA	KEGG	NA	NA
+C12125	Isoformononetin	C16H12O4	268.0736	NA	KEGG	NA	NA
+C12126	Dihydroceramide	C19H38NO3R	268.0736	NA	KEGG	NA	NA
+C15110	1-[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone	C16H12O4	268.0736	NA	KEGG	NA	NA
+C15203	6-Hydroxy-2'-methoxyflavone	C16H12O4	268.0736	NA	KEGG	NA	NA
+C11544	2(alpha-D-Mannosyl)-D-glycerate	C9H16O9	268.0794	NA	KEGG	NA	NA
+MJ019484	2,3-Dihydroxypropanoic acid, 2-O-?-D-Mannopyranosyl 	C9H16O9	268.079432	NA	MeJP	NA	NA
+MJ019485	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 	C9H16O9	268.079432	NA	MeJP	NA	NA
+MetaCyc02402	2-O-&alpha;-mannosyl-D-glycerate [2(&alpha;-D-Mannosyl)-D-glycerate;]	C9H16O9	268.079432	NA	metacyc	NA	NA
+HMDB00425	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	C9H16O9	268.079437	NA	HMDB2010	NA	NA
+HMDB00425	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	C9H16O9	268.07944	http://www.hmdb.ca/metabolites/HMDB00425	HMDB	NA	NA
+HMDB00425	3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid	C9H16O9	268.07944	HMDB00425	PFEM_hmdb_metabocards_official	NA	NA
+MJ019486	Inosine 	C10H12N4O5	268.080769	NA	MeJP	NA	NA
+MJ019487	6-Purinol; 1,9-Dihydro-form, 9-?-D-Ribopyranosyl 	C10H12N4O5	268.080769	NA	MeJP	NA	NA
+MJ019488	Formycin B 	C10H12N4O5	268.080769	NA	MeJP	NA	NA
+MJ019489	Inosine 	C10H12N4O5	268.080769	NA	MeJP	NA	NA
+MJ019490	Isoinosine 	C10H12N4O5	268.080769	NA	MeJP	NA	NA
+MJ019491	Nifuradene; N-(2-Hydroxyethyl) 	C10H12N4O5	268.080769	NA	MeJP	NA	NA
+MetaCyc02403	inosine [hypoxanthine-ribose;iso-prinosine;riboxine;]	C10H12N4O5	268.08077	58-63-9	metacyc	NA	NA
+HMDB00195	Inosine	C10H12N4O5	268.08078	http://www.hmdb.ca/metabolites/HMDB00195	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03040	Arabinosylhypoxanthine	C10H12N4O5	268.08078	http://www.hmdb.ca/metabolites/HMDB03040	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00195	Inosine	C10H12N4O5	268.08078	http://www.hmdb.ca/metabolites/HMDB00195	HMDB	NA	NA
+HMDB03040	Arabinosylhypoxanthine	C10H12N4O5	268.08078	http://www.hmdb.ca/metabolites/HMDB03040	HMDB	NA	NA
+HMDB00195	Inosine	C10H12N4O5	268.08078	http://www.hmdb.ca/metabolites/HMDB00195	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03040	Arabinosylhypoxanthine	C10H12N4O5	268.08078	http://www.hmdb.ca/metabolites/HMDB03040	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00195	Inosine	C10H12N4O5	268.08078	HMDB00195	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03040	Arabinosylhypoxanthine	C10H12N4O5	268.08078	HMDB03040	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00195	Inosine	C10H12N4O5	268.08078	NA	HMDB2010	NA	NA
+HMDB00481	Allopurinol riboside	C10H12N4O5	268.08078	NA	HMDB2010	NA	NA
+HMDB03040	Arabinosylhypoxanthine	C10H12N4O5	268.08078	NA	HMDB2010	NA	NA
+EUR634	Inosine 	[M+H]+	268.0808	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR634	Inosine 	[M+H]+	268.0808	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR634	Inosine 	[M+H]+	268.0808	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR634	Inosine 	[M+H]+	268.0808	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00294	Inosine	C10H12N4O5	268.0808	NA	KEGG	NA	NA
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	HMDB	NA	NA
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	Inhouse_PFEM	NA	NA
+MLBis018	Inosine	NA	268.0814	269.0886	Inhouse_sept12	NA	NA
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis018	Inosine	HMDB00195_RT3.92_add137	268.0814	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+MJ019492	1-Acetyl-?-carboline-3-carboxylic acid; Me ester 	C15H12N2O3	268.084792	NA	MeJP	NA	NA
+MJ019493	1-Phenazinol; (Methoxycarbonylmethyl) ether 	C15H12N2O3	268.084792	NA	MeJP	NA	NA
+MJ019494	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid 	C15H12N2O3	268.084792	NA	MeJP	NA	NA
+MJ019495	6-Hydroxy-1-phenazinecarboxylic acid; Me ether, Me ester 	C15H12N2O3	268.084792	NA	MeJP	NA	NA
+C12117	Saphenic acid	C15H12N2O3	268.0848	NA	KEGG	NA	NA
+C16603	2,3-Dihydroxycarbamazepine	C15H12N2O3	268.0848	NA	KEGG	NA	NA
+MJ019496	Clomoxir 	C14H17ClO3	268.086622	NA	MeJP	NA	NA
+MJ019497	Tolpyrramide 	C12H16N2O3S	268.088163	NA	MeJP	NA	NA
+PJ000127	CF 	C12H16N2O3S	268.0882	NA	PeJP	NA	NA
+C14459	2-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14461	3-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14556	9-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14557	8-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14558	7-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14559	5-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14560	4-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14563	12-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14564	11-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14565	10-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14576	6-Hydroxybenzo[a]pyrene	C20H12O	268.0888	NA	KEGG	NA	NA
+C14849	Benzo[a]pyrene-9,10-oxide	C20H12O	268.0888	NA	KEGG	NA	NA
+C14850	Benzo[a]pyrene-7,8-oxide	C20H12O	268.0888	NA	KEGG	NA	NA
+C14851	Benzo[a]pyrene-4,5-oxide	C20H12O	268.0888	NA	KEGG	NA	NA
+C11265	8-Azaadenosine	C9H12N6O4	268.092	NA	KEGG	NA	NA
+MJ019498	2-Azaadenosine 	C9H12N6O4	268.092002	NA	MeJP	NA	NA
+MJ019499	Cytarazid 	C9H12N6O4	268.092002	NA	MeJP	NA	NA
+MJ019500	1-O-Coumaroylglycerol, 3'-Methoxy 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019501	2-Acetyl-3,4,5-trihydroxybenzeneacetic acid; 4-Me ether, Et ester 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019502	3,4-Dihydro-1,6,8-trihydroxy-3,4,5-trimethyl-1H-2-benzopyran-7-carboxylic acid 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019503	3-(Pentahydroxyphenyl)-2-propenal; 2,3,4,6-Tetra-Me ether 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019504	3-Ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019505	Benzoic acid; ?-L-Rhamnopyranosyl ester 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019506	Geniposidic acid; Aglycone, 10-Ac, Me ester 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019507	Multiforisin A; 1''-Alcohol, 1''-Ac 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019508	Multiforisin A; 1''-Alcohol, 1'-Ac 	C13H16O6	268.094688	NA	MeJP	NA	NA
+MJ019509	Radicinol; 4-Epimer, 4-Me ether, 1'?,2'?-epoxide 	C13H16O6	268.094688	NA	MeJP	NA	NA
+7684	ACE inhibitor from garlic	SY	268.095	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ019510	Moclobemide 	C13H17ClN2O2	268.097855	NA	MeJP	NA	NA
+C11571	2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole	C16H16N2S	268.1034	NA	KEGG	NA	NA
+C11572	Glycoprotein with the oligosaccharide chain attached by N-glycosyl	C21H32N5O13R3	268.1034	NA	KEGG	NA	NA
+PJ000128	SY 	C12H16N2O5	268.1059	NA	PeJP	NA	NA
+MJ019511	2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-Propanoyl 	C12H16N2O5	268.105921	NA	MeJP	NA	NA
+MJ019512	1,11-Diisothiocyanato-1-undecene 	C13H20N2S2	268.10679	NA	MeJP	NA	NA
+MJ019513	1,3-Bis(4-hydroxyphenyl)-4-penten-1-one 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019514	1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 1',2'-Dideoxy, 9-Me ether 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019515	2,2-Dimethyl-7-phenyl-2H-1-benzopyran-5-ol; 4'-Hydroxy 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019516	2,3,4-Phenanthrenetriol; Tri-Me ether 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019517	2,5,6-Phenanthrenetriol; Tri-Me ether 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019518	3,4,6-Phenanthrenetriol; Tri-Me ether 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019519	3-(4-Hydroxyphenyl)-2-propenoic acid, 1-Phenylethyl ester 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019520	3-(4-Hydroxyphenyl)-2-propenoic acid, 2-Phenylethyl ester 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019521	3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 1-(2-Methylpropanoyl) 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019522	6-Hydroxy-3,3-dimethyl-4-phenyl-2(3H)-benzofuranone; Me ether 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019523	7-Methoxy-4-phenyl-2H-1-benzopyran-6-ol; Me ether 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019524	9,10-Dihydro-3,7-dihydroxy-2,8-dimethyl-4-phenanthrenecarboxaldehyde 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019525	Ceroptin 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019526	Danshenspiroketallactone 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019527	Juncunone 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019528	Metbufen 	C17H16O3	268.109944	NA	MeJP	NA	NA
+MJ019529	Sterehirsutinal; 1'-Alcohol 	C17H16O3	268.109944	NA	MeJP	NA	NA
+CJpos0666	 N-Acetylcarnosine (and isomer) [(M+H)]+	C11H17N4O4	268.116575	C18rt(min)=1.1 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0666	 N-Acetylcarnosine (and isomer) [(M+H)]+	C11H17N4O4	268.116575	C18rt(min)=1.1 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ019530	Pentostatin 	C11H16N4O4	268.117155	NA	MeJP	NA	NA
+MJ019531	Razoxane 	C11H16N4O4	268.117155	NA	MeJP	NA	NA
+C02267	Deoxycoformycin	C11H16N4O4	268.1172	NA	KEGG	NA	NA
+C02269	Deoxynucleoside	C5H9O3R	268.1172	NA	KEGG	NA	NA
+C02270	Depurinated DNA	C5H11O7P	268.1172	NA	KEGG	NA	NA
+MJ019532	?-Carboline-1-carboxylic acid; Butyl ester 	C16H16N2O2	268.121177	NA	MeJP	NA	NA
+MJ019533	?-Carboline-1-propanoic acid; Et ester 	C16H16N2O2	268.121177	NA	MeJP	NA	NA
+MJ019534	Lysergic acid 	C16H16N2O2	268.121177	NA	MeJP	NA	NA
+MJ019535	Nafazatrom 	C16H16N2O2	268.121177	NA	MeJP	NA	NA
+MJ019536	Paspalic acid 	C16H16N2O2	268.121177	NA	MeJP	NA	NA
+MJ019537	Rugulovasine A 	C16H16N2O2	268.121177	NA	MeJP	NA	NA
+C07541	Lysergic acid	C16H16N2O2	268.1212	NA	KEGG	NA	NA
+C13805	N-Butyl-beta-carboline-3-carboxylate	C16H16N2O2	268.1212	NA	KEGG	NA	NA
+MJ019538	Laurencial 	C15H21ClO2	268.123007	NA	MeJP	NA	NA
+C14470	3-Methylcholanthrene	C21H16	268.1252	NA	KEGG	NA	NA
+CJpos0667	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+	C14H21O5	268.130575	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0667	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+	C14H21O5	268.130575	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ019539	3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019540	8,8a-Dihydro-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxin-5,7(3H,6H)-dione 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019541	8,8a-Dihydro-8a-hydroxy-7-methoxy-3,3,6,8,8-pentamethyl-1,2-benzodioxin-5(3H)-one 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019542	Bartanol 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019543	Colletodiol; 11-Deoxy 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019544	Colletodiol; 12-Deoxy 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019545	Kamahine C 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019546	Papyracone B 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019547	Pectinolide A; 3'-De-Ac 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019548	Pectinolide A; 5-De-Ac 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019549	Seiricuprolide 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019550	Teucrein 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019551	Waol B 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019552	Wasabidienone A 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019553	p-Mentha-1,3,5-triene-3,7,8,9-tetrol; 9-(2-Methylpropanoyl) 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019554	p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 9-O-(2-Methylpropanoyl) 	C14H20O5	268.131073	NA	MeJP	NA	NA
+MJ019555	4-(4,6-Dimethylpyrid-2-yl)-5-ethyl-3-(furan-2-yl)-4H-1,2,4-triazole 	C15H16N4O	268.132411	NA	MeJP	NA	NA
+MJ019556	Aplysinopsin; 3'-N-Me 	C15H16N4O	268.132411	NA	MeJP	NA	NA
+MJ019557	Ripazepam 	C15H16N4O	268.132411	NA	MeJP	NA	NA
+2775	protease HIV 1 inhibitor	LLEY	268.1365	MH2+	Inhouse_peptide	NA	peptide
+2620	synthetic fr,of human beta-CN (77-81) ACE inhibitor	PVPQP	268.141	MH2+	Inhouse_peptide	NA	peptide
+3305	NA	LH	268.142	celiac toxic	Inhouse_peptide	NA	peptide
+3317	NA	HL	268.142	celiac toxic	Inhouse_peptide	NA	peptide
+7602	ACE inhibitor	HL	268.142	antioxidative	Inhouse_peptide	NA	peptide
+C07620	Diethylstilbestrol	C18H20O2	268.1463	NA	KEGG	NA	NA
+C13625	4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene	C18H20O2	268.1463	NA	KEGG	NA	NA
+C14392	Equilin	C18H20O2	268.1463	NA	KEGG	NA	NA
+C14498	17alpha-Dihydroequilenin	C18H20O2	268.1463	NA	KEGG	NA	NA
+C14650	3-Hydroxyestra-1,3,5(10),6-tetraen-17-one	C18H20O2	268.1463	NA	KEGG	NA	NA
+C14738	Indanestrol	C18H20O2	268.1463	NA	KEGG	NA	NA
+C15168	4,4'-(2-Ethyl-1-butenylidene)diphenol	C18H20O2	268.1463	NA	KEGG	NA	NA
+MJ019558	2,3-Dihydro-2,3,3-trimethyl-4-phenyl-6-benzofuranol; Me ether 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019559	3,4-Dihydroxy-5-prenylbiphenyl; 4-Me ether 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019560	3,5-Dihydroxy-2-prenylbiphenyl; 5-Me ether 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019561	3,5-Tridecadiene-7,9,11-triyn-1-ol, 3-Methylbutanoyl 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019562	3-Hydroxy-5-methoxy-4-(3-methyl-2-butenyl)biphenyl 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019563	3-Hydroxyestra-1,3,5(10),7-tetraen-17-one 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019564	3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019565	6-Hydroxy-4-(4-hydroxyphenyl)-2,3-dimethyltetralin 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019566	Diethylstilbestrol 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019567	Estra-1,3,5,7,9-pentaene-3,17-diol; 17?-form 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019568	Heudelotinone 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019569	Salvinone 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019570	Salviolone 	C18H20O2	268.146329	NA	MeJP	NA	NA
+MJ019571	Xochitlodione; 6-Deoxo 	C18H20O2	268.146329	NA	MeJP	NA	NA
+C05010	His-Leu	C12H20N4O3	268.1535	NA	KEGG	NA	NA
+PJ000129	LH 	C12H20N4O3	268.1536	NA	PeJP	NA	NA
+MJ019572	1b-Ethyl-1a,1b,3,4,8c,9,10,10a-octahydro-2H-oxireno[4,5-b]pyrido[3,2-c]carbazole 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019573	Agroclavine, 10-Epimer, N1-methoxy 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019574	Dasycarpidone 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019575	Doisuthine 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019576	N,N'-Bis(2-phenylethyl)urea 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019577	Remacemide 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019578	Vindeburnol 	C17H20N2O	268.157563	NA	MeJP	NA	NA
+MJ019579	1,10-Dihydroxy-11(13)-eremophilen-12,8-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019580	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019581	1,3,5-Bisabolatriene-1,7,12,15-tetrol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019582	1,3-Dihydroxy-12,6-eudesmanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019583	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019584	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019585	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019586	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019587	1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019588	1,4-Dihydroxy-12,6-eudesmanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019589	1,4-Epoxy-5-hydroxy-11(13)-xanthen-12-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019590	1-(3-Furanyl)-4,8-dimethyl-7-nonene-3,4,5-triol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019591	1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019592	10-Hydroperoxy-6-hydroxy-2,11-bisaboladien-1-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019593	11,12-Epoxy-7-drimene-6,9,11-triol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019594	11-Hydroperoxy-6-hydroxy-2,9-bisaboladien-1-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019595	2,4-Dihydroxy-11(13)-eudesmen-12-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019596	2,4-Dihydroxy-12,8-pseudoguaianolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019597	2-(9-Decenyl)-2-pentenedioic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019598	2-Hydroxy-7-isopropyl-4-methyl-10-oxo-5-undecen-4-olide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019599	3,11,12-Trihydroxy-1(10)-spirovetiven-2-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019600	3,11-Dihydroxy-1,6,9-farnesatrien-8-one; 11-Hydroperoxide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019601	3,11-Dihydroxy-7-drimen-6-one, 7?,8?-Epoxy 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019602	3,11-Dihydroxy-8(12)-drimen-13-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019603	3,14-Dihydroxy-7-drimen-12,11-olide, 7,8?-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019604	3,4,11-Trihydroxy-6-eudesmen-8-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019605	3,4,7-Trihydroxy-11-eudesmen-8-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019606	3,4-Dihydroxy-11(13)-eudesmen-12-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019607	3,6-Dihydroxy-12,11-drimanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019608	3,8-Dihydroxy-12,11-drimanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019609	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019610	4,6-Dihydroxy-11(13)-eudesmen-12-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019611	4,6-Dihydroxy-12,8-eudesmanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019612	4,9-Dihydroxy-1(5),11(13)-xanthadien-12,6-olide, 11?,13-Dihydro 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019613	4,9-Epoxy-5-hydroxy-12,6-germacranolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019614	4-Hydroperoxy-5-amorphen-12-oic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019615	5,6-Epoxy-8-hydroxy-11-drimanoic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019616	5,9-Epidioxy-8-hydroperoxy-6-daucene 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019617	6,7-Dihydroxy-11,12-drimanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019618	6-Hydroperoxy-3-hydroxy-1,7(14),10-farnesatrien-9-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019619	6-Hydroxy-2-nor-2,3-seco-1,3-allohimachalanedione, O-Formyl 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019620	6-Protoilludene-4,5,8,14-tetrol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019621	7-Hydroperoxy-3-hydroxy-1,5,10-farnesatrien-9-one 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019622	9(12)-Capnellene-2,5,8,10-tetrol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019623	9(12)-Capnellene-3,8,10,14-tetrol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019624	9,10-Epoxy-1,8-dihydroxy-12,8-eremophilanolide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019625	9-(3-Furanyl)-2,6-dimethyl-6-nonene-2,3,5-triol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019626	Acoric acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019627	Aeginetic acid 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019628	Antibiotic FR 65814 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019629	Arteannuin M 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019630	Deacetyldihydrobotrydial; 15-Oxo, 10-deoxy 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019631	Gingerdiols; [4]-Gingerdiol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019632	Hanalpinol; 9-Hydroperoxide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019633	Hebelophyllene D 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019634	Hydroxydavanone; 11-Hydroperoxide 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019635	Isotrichodiol; 8?-Hydroxy 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019636	Parathylone 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019637	Secofloribundione 	C15H24O4	268.167459	NA	MeJP	NA	NA
+MJ019638	Trichotriol 	C15H24O4	268.167459	NA	MeJP	NA	NA
+C09984	N-(p-Hydroxyphenethyl)actinidine	C18H22NO	268.1701	NA	KEGG	NA	NA
+C15107	3-Methoxyestra-1,3,5(10),16-tetraene	C19H24O	268.1827	NA	KEGG	NA	NA
+C15217	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol	C19H24O	268.1827	NA	KEGG	NA	NA
+MJ019639	15,16-Epoxy-19-nor-1,3,5(10),13(16),14-clerodapentaene; ent-form 	C19H24O	268.182715	NA	MeJP	NA	NA
+MJ019640	19-Nor-4(18),8,11,13-abietatetraen-7-ol; 7?-form, 7-Ketone 	C19H24O	268.182715	NA	MeJP	NA	NA
+MJ019641	20-Nor-1(10),2,8,11,13-abietapentaen-12-ol 	C19H24O	268.182715	NA	MeJP	NA	NA
+MJ019642	Clathrin B; Ketone 	C19H24O	268.182715	NA	MeJP	NA	NA
+MJ019643	Tubifolidine 	C18H24N2	268.193948	NA	MeJP	NA	NA
+MJ019644	1,6,9-Farnesatriene-3,5,11-triol, 11-Me ether 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019645	13-Hydroxy-9,11-hexadecadienoic acid 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019646	3-Oxo-2-(2-pentenyl)-1-cyclopentanehexanoic acid, 2'',3''-Dihydro 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019647	5,10(14)-Germacradiene-1,4,8-triol, 4-Me ether 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019648	8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid; 8?-form 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019649	9-Hydroxy-2-bisabolen-15-oic acid, Me ester 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019650	Dihydro-5-(5-hydroxy-6-dodecenyl)-2(3H)-furanone 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019651	Maurenone 	C16H28O3	268.203844	NA	MeJP	NA	NA
+MJ019652	3-Aminohexahydro-2H-azepin-2-one, N3-(6-Methyloctanoyl) 	C15H28N2O2	268.215078	NA	MeJP	NA	NA
+MJ019653	3-Aminohexahydro-2H-azepin-2-one, N3-(7-Methyloctanoyl) 	C15H28N2O2	268.215078	NA	MeJP	NA	NA
+HMDB03413	Rhodopsin	Not Available	268.21909	http://www.hmdb.ca/metabolites/HMDB03413	HMDB	NA	NA
+HMDB06881	Bathorhodopsin	C20H28	268.21909	http://www.hmdb.ca/metabolites/HMDB06881	HMDB	NA	NA
+HMDB06882	Lumirhodopsin	C20H28	268.21909	http://www.hmdb.ca/metabolites/HMDB06882	HMDB	NA	NA
+HMDB06883	Metarhodopsin	C20H28	268.21909	http://www.hmdb.ca/metabolites/HMDB06883	HMDB	NA	NA
+HMDB03413	Rhodopsin	Not Available	268.21909	HMDB03413	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06881	Bathorhodopsin	C20H28	268.21909	HMDB06881	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06882	Lumirhodopsin	C20H28	268.21909	HMDB06882	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06883	Metarhodopsin	C20H28	268.21909	HMDB06883	PFEM_hmdb_metabocards_official	NA	NA
+MJ019654	6,8,11,13-Cleistanthatetraene 	C20H28	268.2191	NA	MeJP	NA	NA
+MJ019655	Anhydrovitamin A1 	C20H28	268.2191	NA	MeJP	NA	NA
+MJ019656	Dictyotetraene 	C20H28	268.2191	NA	MeJP	NA	NA
+C12100	omega-Cyclohexylundecanoic acid	C17H32O2	268.2402	NA	KEGG	NA	NA
+C16536	9E-Heptadecenoic acid	C17H32O2	268.2402	NA	KEGG	NA	NA
+MJ019657	10-Cycloheptyldecanoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019658	10-Methyl-6-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019659	10-Pentadecen-1-ol, Ac 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019660	12-Pentadecen-1-ol, Ac 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019661	14-Methyl-8-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019662	14-Methyl-9-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019663	15-Methyl-11-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019664	15-Methyl-9-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019665	2,4-Heptadecanedione 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019666	2-Hexylcyclopropaneoctanoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019667	5-Tetradecenoic acid, Isopropyl ester 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019668	7-Hexadecen-1-ol, Formyl 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019669	7-Methyl-6-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019670	7-Methyl-8-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019671	7-Tetradecenoic acid, Isopropyl ester 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019672	9-Heptadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019673	9-Hexadecen-1-ol, Formyl 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019674	9-Methyl-10-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019675	9-Methyl-11-hexadecenoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019676	9-Pentadecen-1-ol, Ac 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019677	9-Tetradecen-1-ol, Propanoyl 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019678	9-Tetradecenoic acid, Isopropyl ester 	C17H32O2	268.24023	NA	MeJP	NA	NA
+MJ019679	Cyclohexaneundecanoic acid 	C17H32O2	268.24023	NA	MeJP	NA	NA
+C01838	Octadecanal	C18H36O	268.2766	NA	KEGG	NA	NA
+HMDB02384	Stearaldehyde	C18H36O	268.27661	http://www.hmdb.ca/metabolites/HMDB02384	HMDB	NA	NA
+HMDB02384	Stearaldehyde	C18H36O	268.27661	HMDB02384	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02384	Stearaldehyde	C18H36O	268.276611	NA	HMDB2010	NA	NA
+MJ019680	13-Octadecen-1-ol 	C18H36O	268.276615	NA	MeJP	NA	NA
+MJ019681	2-Octadecanone 	C18H36O	268.276615	NA	MeJP	NA	NA
+MJ019682	6,10,14-Trimethyl-2-pentadecanone 	C18H36O	268.276615	NA	MeJP	NA	NA
+MJ019683	9-Octadecen-1-ol 	C18H36O	268.276615	NA	MeJP	NA	NA
+MJ019684	Octadecanal 	C18H36O	268.276615	NA	MeJP	NA	NA
+MetaCyc02404	octadecanal []	C18H36O1	268.276616	638-66-4	metacyc	NA	NA
+MJ019685	2-(12-Aminotridecyl)pyrrolidine 	C17H36N2	268.287849	NA	MeJP	NA	NA
+MJ019686	2,5-Dimethylheptadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+MJ019687	2,6,10,14-Tetramethylpentadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+MJ019688	3,13-Dimethylheptadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+MJ019689	5,11-Dimethylheptadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+MJ019690	5,9-Dimethylheptadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+MJ019691	7,11-Dimethylheptadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+MJ019692	Nonadecane 	C19H40	268.313001	NA	MeJP	NA	NA
+3259	beta-lactokinin	HIRL	268.6635	MH2+	Inhouse_peptide	NA	peptide
+2657	synthetic fr, of human beta-CN (161-165) ACE inhibitor	VLPIP	268.67	MH2+	Inhouse_peptide	NA	peptide
+MJ019693	4-[(Dichloroamino)sulfonyl]benzoic acid 	C7H5Cl2NO4S	268.931633	NA	MeJP	NA	NA
+MJ019694	Neodiseptal 	C10H11N3O2S2	269.029267	NA	MeJP	NA	NA
+MJ019695	Sulfasomizole 	C10H11N3O2S2	269.029267	NA	MeJP	NA	NA
+MJ019696	N-Acetyl-L-glutamate 5-phosphate 	C7H12NO8P	269.030052	NA	MeJP	NA	NA
+MetaCyc02405	N-acetylglutamyl-phosphate [N-Acetyl-L-glutamyl 5-phosphate;N-acetyl-L-glutamate-5-phosphate;N-acetyl-glutamyl-P;N-acetylglutamyl-P;N-acetyl-5-glutamyl phosphate;]	C7H12N1O8P1	269.030053	NA	metacyc	NA	NA
+HMDB06456	N-Acetyl-L-glutamyl 5-phosphate	C7H12NO8P	269.03006	http://www.hmdb.ca/metabolites/HMDB06456	HMDB	NA	NA
+HMDB06786	(3-Phosphatidyl)ethanolamine	C7H12NO8P	269.03006	http://www.hmdb.ca/metabolites/HMDB06786	HMDB	NA	NA
+HMDB06456	N-Acetyl-L-glutamyl 5-phosphate	C7H12NO8P	269.03006	HMDB06456	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06786	(3-Phosphatidyl)ethanolamine	C7H12NO8P	269.03006	HMDB06786	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06456	N-Acetyl-L-glutamyl 5-phosphate	C7H12NO8P	269.03006	NA	HMDB2010	NA	NA
+C04133	N-Acetyl-L-glutamate 5-phosphate	C7H12NO8P	269.0301	NA	KEGG	NA	NA
+C04134	N-Acetyl-alpha-D-galactosaminide	C8H14NO6R	269.0301	NA	KEGG	NA	NA
+C04135	N-Acetyl-beta-D-galactosaminyl-R	C8H14NO6R	269.0301	NA	KEGG	NA	NA
+C04136	N-Acyl-D-glucosamine 6-phosphate	C7H13NO9PR	269.0301	NA	KEGG	NA	NA
+MJ019697	Eclazolast 	C12H12ClNO4	269.045485	NA	MeJP	NA	NA
+MJ019698	Alinidine 	C12H13Cl2N3	269.048652	NA	MeJP	NA	NA
+MJ019699	2-Ethyl-2-hydroxymethyl-1,3-propanediol; Trinitrate 	C6H11N3O9	269.049528	NA	MeJP	NA	NA
+C14936	2-(p-Methoxyphenyl)-3-(m-chlorophenyl)acrylonitrile	C16H12ClNO	269.0607	NA	KEGG	NA	NA
+C10668	Evoxanthidine	C15H11NO4	269.0688	NA	KEGG	NA	NA
+MJ019700	1-Methoxy-2,3-methylenedioxyacridone 	C15H11NO4	269.068807	NA	MeJP	NA	NA
+MJ019701	4-Methylbenzo[g]quinoline-5,10-dione; 7-Methoxy, 6-hydroxy 	C15H11NO4	269.068807	NA	MeJP	NA	NA
+MJ019702	Bostrycoidin; 6-Deoxy 	C15H11NO4	269.068807	NA	MeJP	NA	NA
+MJ019703	Marcanine A; 3-Methoxy 	C15H11NO4	269.068807	NA	MeJP	NA	NA
+MJ019704	N-[Bis(1-aziridinyl)phosphinyl]-4-fluorobenzamide 	C11H13FN3O2P	269.072941	NA	MeJP	NA	NA
+MJ019705	8-Azainosine 	C9H11N5O5	269.076018	NA	MeJP	NA	NA
+MJ019706	Ekapterin 	C9H11N5O5	269.076018	NA	MeJP	NA	NA
+MJ019707	2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid; N2-Me, amide 	C14H11N3O3	269.080041	NA	MeJP	NA	NA
+MJ019708	Benaxibine 	C12H15NO6	269.089937	NA	MeJP	NA	NA
+MetaCyc02406	5'-deoxy-5'-fluoroadenosine []	C10H12N5O3F1	269.092417	NA	metacyc	NA	NA
+MJ019709	Toluidine blue 	C15H16N3S(+)	269.098668	NA	MeJP	NA	NA
+MJ019710	Anaxirone 	C11H15N3O5	269.10117	NA	MeJP	NA	NA
+MJ019711	1,3-Dimethoxyacridone; N-Me 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+MJ019712	Crinine, 3-Ketone 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+MJ019713	Dilmefone 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+MJ019714	Ftaxilide 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+MJ019715	Kalasinamide 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+MJ019716	Murrayaline A 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+MJ019717	Phenylalanine, N-Benzoyl 	C16H15NO3	269.105193	NA	MeJP	NA	NA
+C15122	alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid	C16H15NO3	269.1052	NA	KEGG	NA	NA
+C11085	Fenothiocarb sulfoxide	C13H19NO3S	269.1086	NA	KEGG	NA	NA
+PJ000130	NH 	C10H15N5O4	269.1124	NA	PeJP	NA	NA
+MJ019718	Nifurethazone 	C10H15N5O4	269.112403	NA	MeJP	NA	NA
+MetaCyc02407	formycin A []	C10H15N5O4	269.112404	NA	metacyc	NA	NA
+MJ019719	Anantine, 3'-Hydroxy 	C15H15N3O2	269.116426	NA	MeJP	NA	NA
+C10925	Acetochlor	C14H20ClNO2	269.1183	NA	KEGG	NA	NA
+C10928	Alachlor	C14H20ClNO2	269.1183	NA	KEGG	NA	NA
+CJpos0668	 N-Acetylcarnosine (and isomer) [(M+H)]+ (13C)	C1013CH17N4O4	269.119975	C18rt(min)=1.1 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0668	 N-Acetylcarnosine (and isomer) [(M+H)]+ (13C)	C1013CH17N4O4	269.119975	C18rt(min)=1.1 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+2756	peptide regulating the stomach mucosal membrane activity	PGP	269.125	antibacterial	Inhouse_peptide	NA	peptide
+3046	inhibitor of insulin secretion	PGP	269.125	celiac toxic	Inhouse_peptide	NA	peptide
+3284	antithrombotic peptide	PGP	269.125	celiac toxic	Inhouse_peptide	NA	peptide
+3459	Prolyl endopeptidase inhibitor	PGP	269.125	ACE inhibitor	Inhouse_peptide	NA	peptide
+3464	Chemotactic peptide	PGP	269.125	ACE inhibitor	Inhouse_peptide	NA	peptide
+7820	ACE inhibitor from wheat gliadin	GPP	269.125	antibacterial	Inhouse_peptide	NA	peptide
+MJ019720	1,2,3,4-Tetrahydro-5-hydroxy-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinoline; N-Oxide 	C13H19NO5	269.126322	NA	MeJP	NA	NA
+MJ019721	Mescaloxylic acid 	C13H19NO5	269.126322	NA	MeJP	NA	NA
+MJ019722	Preapiodionene 	C13H19NO5	269.126322	NA	MeJP	NA	NA
+MJ019723	Endralazine 	C14H15N5O	269.12766	NA	MeJP	NA	NA
+MJ019724	Declopramide 	C13H20ClN3O	269.129489	NA	MeJP	NA	NA
+7899	peptide from human milk b-casein (50-53)	IYPF	269.1335	MH2+	Inhouse_peptide	NA	peptide
+CJpos0669	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+ (13C)	C1313CH21O5	269.133875	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0669	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)-(C6H8O6)]+ (13C)	C1313CH21O5	269.133875	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+8118	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GALAAH	269.137	MH2+	Inhouse_peptide	NA	peptide
+PJ000131	GPP 	C12H19N3O4	269.1376	NA	PeJP	NA	NA
+MJ019725	1,2,3,4-Tetrahydro-6,7-dimethoxy-4-phenylisoquinoline 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+MJ019726	Apogalanthamine; O8-Me 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+MJ019727	Apogalanthamine; O9-Me 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+MJ019728	Chalcostrobamine 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+MJ019729	Coccuvine; Natural-form 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+MJ019730	Strobamine 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+MJ019731	Wallemia C 	C17H19NO2	269.141578	NA	MeJP	NA	NA
+C10867	Strobamine	C17H19NO2	269.1416	NA	KEGG	NA	NA
+C14896	1-Methyl-6-(1,2,3,4-tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone	C17H19NO2	269.1416	NA	KEGG	NA	NA
+C15044	2,3-Dimethoxy-[2-(4-Pyridinyl)-1-butenyl]phenol	C17H19NO2	269.1416	NA	KEGG	NA	NA
+MJ019732	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 7-O-(2S-Hydroxy-2,3-dimethylbutanoyl) 	C14H23NO4	269.162708	NA	MeJP	NA	NA
+MJ019733	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 9-O-(2S-Hydroxy-2,3-dimethylbutanoyl) 	C14H23NO4	269.162708	NA	MeJP	NA	NA
+MJ019734	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(2-Methylpropanoyl), 6-Ac 	C14H23NO4	269.162708	NA	MeJP	NA	NA
+MJ019735	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-(2-Methylpropanoyl), 3-Ac 	C14H23NO4	269.162708	NA	MeJP	NA	NA
+MJ019736	Pictumine 	C14H23NO4	269.162708	NA	MeJP	NA	NA
+MJ019737	Rizatriptan 	C15H19N5	269.164045	NA	MeJP	NA	NA
+MJ019738	Trypargine, 1,2-Didehydro 	C15H19N5	269.164045	NA	MeJP	NA	NA
+MJ019739	2,4-Tetradecadiene-8,10-diynoic acid, Pyrrolidide 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019740	2-Nonyl-4(1H)-quinolinone; 1',2'-Didehydro (E-) 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019741	3,5-Bis(3-methyl-2-butenyl)-1H-indole; 2'R,3'-Epoxide 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019742	3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2'S,3'-Epoxide 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019743	?-Methyl-N-(1-methyl-2-phenoxyethyl)benzeneethanamine 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019744	Anacycline, 12,13-Didehydro 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019745	Bifemelane 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019746	Orphenadrine 	C18H23NO	269.177964	NA	MeJP	NA	NA
+MJ019747	p-Methyldiphenhydramine 	C18H23NO	269.177964	NA	MeJP	NA	NA
+C07935	Orphenadrine	C18H23NO	269.178	NA	KEGG	NA	NA
+C07936	Transferred to D00774	C18H23NO	269.178	NA	KEGG	NA	NA
+MJ019748	Tarennine 	C17H23N3	269.189197	NA	MeJP	NA	NA
+MJ019749	Pramiracetam 	C14H27N3O2	269.210327	NA	MeJP	NA	NA
+MJ019750	Dendrobates Alkaloid 269A 	C19H27N	269.214349	NA	MeJP	NA	NA
+MJ019751	Dendrobates Alkaloid 269B 	C19H27N	269.214349	NA	MeJP	NA	NA
+MJ019752	Acetamide; N-(13-Methyltetradecyl) 	C17H35NO	269.271864	NA	MeJP	NA	NA
+C17515	Capsi-amide	C17H35NO	269.2719	NA	KEGG	NA	NA
+MJ019753	N,N',N''-Tris(3-methylbutyl)guanidine 	C16H35N3	269.283098	NA	MeJP	NA	NA
+7415	ACE inhibitor	VLIVP	269.678	MH2+	Inhouse_peptide	NA	peptide
+C16181	beta-2,3,4,5,6-Pentachlorocyclohexanol	C6H7Cl5O	269.894	NA	KEGG	NA	NA
+MJ019754	1,3-Dibromo-2-heptanone 	C7H12Br2O	269.92549	NA	MeJP	NA	NA
+MJ019755	2,5-Dihydroxy-1,4-benzenedisulfonic acid 	C6H6O8S2	269.950408	NA	MeJP	NA	NA
+MJ019756	4-Chloro-1,3-benzenedisulfonic acid; Disulfonamide 	C6H7ClN2O4S2	269.953575	NA	MeJP	NA	NA
+MetaCyc02408	monobromobimane [mBBr;]	C10H11N2O2BR1	270.00039	NA	metacyc	NA	NA
+HMDB06343	Selenocystathionine	C7H14N2O4Se	270.01187	http://www.hmdb.ca/metabolites/HMDB06343	HMDB	NA	NA
+HMDB06343	Selenocystathionine	C7H14N2O4Se	270.01187	HMDB06343	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06343	Selenocystathionine	C7H14N2O4Se	270.011871	NA	HMDB2010	NA	NA
+MJ019757	Selenocystathionine 	C7H14N2O4Se	270.011878	NA	MeJP	NA	NA
+C05699	L-Selenocystathionine	C7H14N2O4Se	270.0119	NA	KEGG	NA	NA
+C04286	3,5-Dinitro-4-hydroxyphenylpyruvate	C9H6N2O8	270.0124	NA	KEGG	NA	NA
+MJ019758	Nasutin A 	C14H6O6	270.016437	NA	MeJP	NA	NA
+MJ019759	Nebidrazine 	C9H8Cl2N6	270.018749	NA	MeJP	NA	NA
+C08050	Sulfamethizole	C9H10N4O2S2	270.0245	NA	KEGG	NA	NA
+MJ019760	Sulfamethizole 	C9H10N4O2S2	270.024516	NA	MeJP	NA	NA
+MJ019761	Djenkolic acid, S-Oxide 	C7H14N2O5S2	270.034412	NA	MeJP	NA	NA
+MJ019762	Bromamid 	C11H15BrN2O	270.036775	NA	MeJP	NA	NA
+MJ019763	1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Pentanoyl, N4-Me 	C11H14N2O2S2	270.049669	NA	MeJP	NA	NA
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	PFEM_hmdb_metabocards_urine	NA	urine
+JH180	Apigenin [M+H]+	C15H10O5	270.0506	18.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH180	Apigenin [M+H]+	C15H10O5	270.0506	18.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH180	Apigenin [M+H]+	C15H10O5	270.0506	18.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	HMDB	NA	NA
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	Inhouse_PFEM	NA	NA
+JH180	Apigenin [M+H]+	C15H10O5	270.0506	18.87	Inhousejuil11	NA	NA
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	PFEM_hmdb_metabocards_blood	NA	blood
+JH180	Apigenin 	C15H10O5	270.0506	Rtobs18.87	PFEM_hmdb_metabocards_official	NA	NA
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	PFEM_hmdb_metabocards_urine	NA	urine
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	14.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	14.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	14.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	HMDB	NA	NA
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	Inhouse_PFEM	NA	NA
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	14.89	Inhousejuil11	NA	NA
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	PFEM_hmdb_metabocards_blood	NA	blood
+JH181	Trihydroxyisofl. (3',4',7-) [M+H]+	C15H10O5	270.0522	Rtobs14.89	PFEM_hmdb_metabocards_official	NA	NA
+JH183	Genistein [M+H]+	C15H10O5	270.0523	18.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH183	Genistein [M+H]+	C15H10O5	270.0523	18.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH183	Genistein [M+H]+	C15H10O5	270.0523	18.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH183	Genistein [M+H]+	C15H10O5	270.0523	18.64	Inhousejuil11	NA	NA
+JH185	Trihydroxyisofl. (4',6,7-) [M+H]+	C15H10O5	270.0524	14.91	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH185	Trihydroxyisofl. (4',6,7-) [M+H]+	C15H10O5	270.0524	14.91	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH185	Trihydroxyisofl. (4',6,7-) [M+H]+	C15H10O5	270.0524	14.91	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH185	Trihydroxyisofl. (4',6,7-) [M+H]+	C15H10O5	270.0524	14.91	Inhousejuil11	NA	NA
+C01477	Apigenin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C02495	2'-Hydroxydaidzein	C15H10O5	270.0528	NA	KEGG	NA	NA
+C06563	Genistein	C15H10O5	270.0528	NA	KEGG	NA	NA
+C08730	Sulphuretin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10023	Baicalein	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10037	5-Deoxykaempferol	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10044	Galangin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10113	Norwogonin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10294	Aloe-emodin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10343	Emodin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10369	Lucidin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10376	Morindone	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10379	Norobtusifolin	C15H10O5	270.0528	NA	KEGG	NA	NA
+C10397	Purpurin 1-methyl ether	C15H10O5	270.0528	NA	KEGG	NA	NA
+C14313	3',4',7-Trihydroxyisoflavone	C15H10O5	270.0528	NA	KEGG	NA	NA
+C14314	4',6,7-Trihydroxyisoflavone	C15H10O5	270.0528	NA	KEGG	NA	NA
+C15222	3,6,4'-Trihydroxyflavone	C15H10O5	270.0528	NA	KEGG	NA	NA
+C16796	Islandicin	C15H10O5	270.0528	NA	KEGG	NA	NA
+FL1A1CNS0001	Sulfuretin;Sulphuretin;6,3',4'-Trihydroxyaurone	C15H10O5	270.05282	120-05-8	knapsack	NA	NA
+FL1AAANS0001	4,6,4'-Trihydroxyaurone	C15H10O5	270.05282	25078-14-2	knapsack	NA	NA
+FL3F1CNS0001	7,3',4'-Trihydroxyflavone	C15H10O5	270.05282	2150-11-0	knapsack	NA	NA
+FL3F98NS0008	5,8,2'-Trihydroxyflavone	C15H10O5	270.05282	34285-16-0	knapsack	NA	NA
+FL3F98NS0009	5,2',5'-Trihydroxyflavone	C15H10O5	270.05282	120552-44-5	knapsack	NA	NA
+FL3FA8NS0001	5,7,2'-Trihydroxyflavone	C15H10O5	270.05282	73046-40-9	knapsack	NA	NA
+FL3FAANS0001	Apigenin;5,7,4'-trihydroxyflavone	C15H10O5	270.05282	520-36-5	knapsack	NA	NA
+FL3FE9NS0001	Baicalein;Noroxylin;5,6,7-Trihydroxyflavone	C15H10O5	270.05282	491-67-8	knapsack	NA	NA
+FL3FF9NS0001	Norwogonin	C15H10O5	270.05282	08/09/4443	knapsack	NA	NA
+FL5F1ANS0001	Resokaempferol	C15H10O5	270.05282	2034-65-3	knapsack	NA	NA
+FL5FA9NS0002	Galangin; Norizalpinin;3,5,7-Trihydroxyflavone;3,5,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one	C15H10O5	270.05282	548-83-4	knapsack	NA	NA
+FLIA1CNS0003	3'-Hydroxydaidzein	C15H10O5	270.05282	485-63-2	knapsack	NA	NA
+FLIA1LNS0003	2'-Hydroxydaidzein	C15H10O5	270.05282	7678-85-8	knapsack	NA	NA
+FLIA2ANS0003	Demethyltexasin	C15H10O5	270.05282	17817-31-1	knapsack	NA	NA
+FLIA3ANS0004	8-Hydroxydaidzein;7,8,4'-Trihydroxyisoflavone	C15H10O5	270.05282	75187-63-2	knapsack	NA	NA
+FLIAA9NS0004	5,7,3'-Trihydroxyisoflavone	C15H10O5	270.05282	96657-99-7	knapsack	NA	NA
+FLIAAANS0001	Genistein;Prunetol;Sophoricol;Genisteol;Differenol A;5,7,4'-Trihydroxyisoflavone	C15H10O5	270.05282	446-72-0	knapsack	NA	NA
+FLII1CNS0002	2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran	C15H10O5	270.05282	67121-26-0	knapsack	NA	NA
+MJ019764	Apigenin 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019765	1,2,3-Trihydroxyxanthone; 2,3-Methylene 1-Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019766	1,2,4-Trihydroxy-3-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019767	1,2,5-Trihydroxy-3-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019768	1,2,5-Trihydroxy-6-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019769	1,2,5-Trihydroxyanthraquinone; 2-Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019770	1,2,6-Trihydroxyanthraquinone; 2-Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019771	1,2,7-Trihydroxy-6-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019772	1,2,8-Trihydroxy-3-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019773	1,2,8-Trihydroxy-6-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019774	1,3,6-Trihydroxy-2-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019775	1,3,6-Trihydroxy-8-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019776	1,3,7-Trihydroxy-6-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019777	1,3,8-Trihydroxy-2-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019778	1,3,8-Trihydroxy-6-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019779	1,3,8-Trihydroxyanthraquinone; 1-Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019780	1,3,8-Trihydroxyanthraquinone; 3-Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019781	1,3-Dihydroxy-2-hydroxymethylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019782	1,4,5-Trihydroxy-2-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019783	1,4,5-Trihydroxy-7-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019784	1,4,6-Trihydroxy-7-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019785	1,4,6-Trihydroxyanthraquinone; 4-Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019786	1,4,8-Trihydroxy-2-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019787	1,4-Dihydroxy-2-hydroxymethylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019788	1,5-Dihydroxy-2-hydroxymethylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019789	1,5-Dihydroxy-3-hydroxymethylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019790	1,6-Dihydroxy-3-(hydroxymethyl)anthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019791	1,8-Dihydroxy-3-hydroxymethylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019792	2',3,4'-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019793	2',4',7-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019794	2',5,5'-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019795	2',5,7-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019796	2',5,7-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019797	2',5,8-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019798	2,3,4-Trihydroxyxanthone; 4-Me, 2,3-methylene ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019799	2,8-Dihydroxy-1-hydroxymethylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019800	2-(1-Hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-quinone; 1'-Ketone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019801	2-(2,4-Dihydroxyphenyl)-5,6-methylenedioxybenzofuran 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019802	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; Me ether 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019803	3',4',6-Trihydroxyaurone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019804	3',4',7-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019805	3',4',7-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019806	3',5,7-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019807	3,4',7-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019808	3,5,7-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019809	3,5,8-Trihydroxy-1-methylanthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019810	3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019811	4',5,7-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019812	4',5,7-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019813	4',6,7-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019814	4',7,8-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019815	4',7,8-Trihydroxyisoflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019816	4,4',6-Trihydroxyaurone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019817	4,6-Dihydroxy-3-(4-hydroxybenzylidene)-2(3H)-benzofuranone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019818	5,6,7-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019819	5,7,10-Trihydroxy-2-methyl-1,4-anthraquinone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019820	5,7,8-Trihydroxyflavone 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019821	5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019822	6-Hydroxy-2-oxo-2H-naptho[1,2-b]pyran-5-carboxylic acid; Me ester 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019823	8-Hydroxyxanthone-1-carboxylic acid; Me ester 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019824	9,10-Dihydro-4,5-dihydroxy-10-oxo-2-anthracenecarboxylic acid 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019825	Chalaurenol 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019826	Nivegin 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019827	Porphyrilin 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019828	Rauianin 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019829	Strepsilin 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019830	Thunberginol F 	C15H10O5	270.052823	NA	MeJP	NA	NA
+MJ019831	2',3,4',7-Tetrahydroxyflavylium(1+) 	C15H11O5(+)	270.052823	NA	MeJP	NA	NA
+MJ019832	3,3',4',7-Tetrahydroxyflavylium(1+) 	C15H11O5(+)	270.052823	NA	MeJP	NA	NA
+MJ019833	3,4',5,7-Tetrahydroxyflavylium(1+) 	C15H11O5(+)	270.052823	NA	MeJP	NA	NA
+MetaCyc02409	isoflavone []	C15H10O5	270.052823	574-12-9	metacyc	NA	NA
+MetaCyc02410	sulfuretin []	C15H10O5	270.052823	NA	metacyc	NA	NA
+MetaCyc02411	6,7,4'-trihydroxyisoflavone []	C15H10O5	270.052823	NA	metacyc	NA	NA
+MetaCyc02412	apigenin [4',5,7-Trihydroxyflavone;]	C15H10O5	270.052823	520-36-5	metacyc	NA	NA
+MetaCyc02413	2'-hydroxydaidzein []	C15H10O5	270.052823	NA	metacyc	NA	NA
+MetaCyc02414	genistein [isoflavone;5,7,4'-trihydroxyisoflavone;]	C15H10O5	270.052823	NA	metacyc	NA	NA
+HMDB02124	Apigenin	C15H10O5	270.052826	NA	HMDB2010	NA	NA
+HMDB03217	Genistein	C15H10O5	270.052826	NA	HMDB2010	NA	NA
+HMDB03217	Genistein	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB03217	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02124	Apigenin	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB02124	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03217	Genistein	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB03217	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03217	Genistein	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB03217	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03217	Genistein	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB03217	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02124	Apigenin	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB02124	HMDB	NA	NA
+HMDB03217	Genistein	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB03217	HMDB	NA	NA
+HMDB02124	Apigenin	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB02124	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03217	Genistein	C15H10O5	270.05283	http://www.hmdb.ca/metabolites/HMDB03217	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02124	Apigenin	C15H10O5	270.05283	HMDB02124	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03217	Genistein	C15H10O5	270.05283	HMDB03217	PFEM_hmdb_metabocards_official	NA	NA
+MJ019834	Diazepam; N-De-Me 	C15H11ClN2O	270.05599	NA	MeJP	NA	NA
+MJ019835	Mecloqualone 	C15H11ClN2O	270.05599	NA	MeJP	NA	NA
+C07486	Nordazepam	C15H11ClN2O	270.056	NA	KEGG	NA	NA
+MJ019836	3,5-Dialkyl-1,2,4-trithiolanes; 3-Benzyl-5-(2-methylpropyl)-1,2,4-trithiolane 	C13H18S3	270.057062	NA	MeJP	NA	NA
+C07905	Leflunomide	C12H9F3N2O2	270.0616	NA	KEGG	NA	NA
+C07906	Transferred to D00750	C12H9F3N2O2	270.0616	NA	KEGG	NA	NA
+C07907	Transferred to D00751	C12H9F3N2O2	270.0616	NA	KEGG	NA	NA
+MJ019837	Leflunomide 	C12H9F3N2O2	270.061612	NA	MeJP	NA	NA
+MJ019838	2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid; N2-Me 	C14H10N2O4	270.064056	NA	MeJP	NA	NA
+MJ019839	2-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid 	C14H10N2O4	270.064056	NA	MeJP	NA	NA
+MJ019840	9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid 	C14H10N2O4	270.064056	NA	MeJP	NA	NA
+C15296	4,4'-Dinitrostilbene	C14H10N2O4	270.0641	NA	KEGG	NA	NA
+MJ019841	1,7,8,8a-Tetrahydro-7,8-dihydroxy-7-methyl-3-(1-propenyl)-6H-2-benzopyran-6-one; 5-Chloro 	C13H15ClO4	270.065886	NA	MeJP	NA	NA
+MJ019842	9-Chloro-p-mentha-1,3,5,8-tetraene-2,5,10-triol; 2-Me ether, 10-Ac 	C13H15ClO4	270.065886	NA	MeJP	NA	NA
+C17238	S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine	C11H14N2O4S	270.0674	NA	KEGG	NA	NA
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	HMDB	NA	NA
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	Inhouse_PFEM	NA	NA
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC008	Cysteine Paracetamol	 	270.0678	RT4.7	PFEM_hmdb_metabocards_official	NA	NA
+MJ019843	2,6-Dihydroxy-7-methyl-1-(methylthio)phenanthrene 	C16H14O2S	270.07145	NA	MeJP	NA	NA
+C01726	D-Lombricine	C6H15N4O6P	270.0729	NA	KEGG	NA	NA
+C14177	Lombricine	C6H15N4O6P	270.0729	NA	KEGG	NA	NA
+MJ019844	Lombricine 	C6H15N4O6P	270.07292	NA	MeJP	NA	NA
+MetaCyc02415	lombricine []	C6H15N4O6P1	270.072921	18416-85-8	metacyc	NA	NA
+MJ019845	Cyathiformine A 	C12H14O7	270.073952	NA	MeJP	NA	NA
+MJ019846	Islandic acid II; Me ester 	C12H14O7	270.073952	NA	MeJP	NA	NA
+MJ019847	3-(2-Dimethylaminoethyl)-4-hydroxyindole; N-De-Me, O-phosphate 	C11H15N2O4P	270.076943	NA	MeJP	NA	NA
+MJ019848	4-Hydroxy-3-pyridinecarboxylic acid; NH-form, 1-?-D-Ribofuranosyl, amide 	C11H14N2O6	270.085186	NA	MeJP	NA	NA
+MJ019849	4-Hydroxy-3-pyridinecarboxylic acid; NH-form, 1-?-D-Ribofuranosyl, amide 	C11H14N2O6	270.085186	NA	MeJP	NA	NA
+MJ019850	Clitidine 	C11H14N2O6	270.085186	NA	MeJP	NA	NA
+C01729	(+)-Medicarpin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C01731	Mercury mercaptide	HgS2R2	270.0892	NA	KEGG	NA	NA
+C08993	Vignafuran	C16H14O4	270.0892	NA	KEGG	NA	NA
+C09053	Alloimperatorin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C09269	Imperatorin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C09939	Strobopinin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C10503	(-)-Medicarpin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C15531	2'-O-Methylisoliquiritigenin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C16419	Pinostrobin	C16H14O4	270.0892	NA	KEGG	NA	NA
+C16976	Isoimperatorin	C16H14O4	270.0892	NA	KEGG	NA	NA
+FL1C1ANS0002	Isoliquiritigenin 4-methyl ether	C16H14O4	270.0892	81674-91-1	knapsack	NA	NA
+FL1C1ANS0003	Isoliquiritigenin 2'-methy ether	C16H14O4	270.0892	51825-10-5	knapsack	NA	NA
+FL1C1ANS0004	Isoliquiritigenin 4'-methyl ether	C16H14O4	270.0892	63529-06-6	knapsack	NA	NA
+FL1C29NS0001	Flemichapparin	C16H14O4	270.0892	28143-82-0	knapsack	NA	NA
+FL1C39NS0001	Larrein	C16H14O4	270.0892	57361-84-9	knapsack	NA	NA
+FL1C9ANS0002	2',5'-Dihydroxy-4-methoxychalcone	C16H14O4	270.0892	6342-92-3	knapsack	NA	NA
+FL1CA9NS0002	2',6'-Dihydroxy-4'-methoxychalcone	C16H14O4	270.0892	18956-15-5	knapsack	NA	NA
+FL1CA9NS0003	Cardamonin	C16H14O4	270.0892	19309-14-9	knapsack	NA	NA
+FL1CRTNS0001	Echinatin	C16H14O4	270.0892	34221-45-5	knapsack	NA	NA
+FL1CUNNS0004	Methyllucidone	C16H14O4	270.0892	19956-54-8	knapsack	NA	NA
+FL2F1ANS0002	Methyl-liquiritigenin	C16H14O4	270.0892	61504-06-1	knapsack	NA	NA
+FL2F1ANS0003	4'-Methylliquiritigenin	C16H14O4	270.0892	116384-18-0	knapsack	NA	NA
+FL2F39NS0001	7-Hydroxy-8-methoxyflavanone	C16H14O4	270.0892	57361-85-0	knapsack	NA	NA
+FL2FA9NM0001	Strobopinin	C16H14O4	270.0892	491-66-7	knapsack	NA	NA
+FL2FA9NM0004	Cryptostrobin	C16H14O4	270.0892	55743-21-0	knapsack	NA	NA
+FL2FA9NS0002	Alpinetin	C16H14O4	270.0892	36052-37-6	knapsack	NA	NA
+FL2FA9NS0003	Pinostrobin	C16H14O4	270.0892	480-37-5	knapsack	NA	NA
+FL6F1CNS0005	7-Hydroxy-3',4'-methylenedioxyflavan	C16H14O4	270.0892	95519-19-0	knapsack	NA	NA
+FLIB1ANS0002	Dihydroformononetin;7-Hydroxy-4'-methoxyisoflavanone	C16H14O4	270.0892	4626-22-6	knapsack	NA	NA
+FLICWXNS0002	Haginin B;7,4'-Dihydroxy-2'-methoxyisoflavene	C16H14O4	270.0892	74174-31-5	knapsack	NA	NA
+FLID1ANS0001	(-)-Medicarpin	C16H14O4	270.0892	32383-76-9	knapsack	NA	NA
+FLID1ANS0003	Isomedicarpin;9-Hydroxy-3-methoxypterocarpan	C16H14O4	270.0892	74560-05-7	knapsack	NA	NA
+FLII1ANS0001	Vignafuran;2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran	C16H14O4	270.0892	57800-41-6	knapsack	NA	NA
+FLND2ANS0001	(S)-4'-Hydroxy-4-methoxydalbergione	C16H14O4	270.0892	3755-63-3	knapsack	NA	NA
+MJ019851	1,2,5,7-Phenanthrenetetrol; 1,5-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019852	1,2-Bis(3,4-dihydroxyphenyl)ethane; 3,4;3',4'-Bismethylene ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019853	1,3,8,9-Tetrahydroxy-6-methylanthracene; 1-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019854	1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019855	2',3',4'-Trihydroxychalcone; 3'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019856	2',4',5'-Trihydroxychalcone; 5'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019857	2',4',6'-Trihydroxychalcone; 2'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019858	2',4',6'-Trihydroxychalcone; 4'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019859	2',4',7-Trihydroxyisoflavene; 2'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019860	2',4',7-Trihydroxyisoflavene; 4'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019861	2',4,4'-Trihydroxy-3-methylchalcone 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019862	2',4,4'-Trihydroxychalcone; 2'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019863	2',4,4'-Trihydroxychalcone; 4'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019864	2',4,4'-Trihydroxychalcone; 4-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019865	2',4,5'-Trihydroxychalcone; 4-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019866	2,3,4,5-Phenanthrenetetrol; 2,4-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019867	2,3,4,5-Phenanthrenetetrol; 3,4-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019868	2,3,4,7-Phenanthrenetetrol; 2,4-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019869	2,3,4,7-Phenanthrenetetrol; 3,4-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019870	2,3,5,7-Phenanthrenetetrol; 3,5-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019871	2,3,5,7-Phenanthrenetetrol; 5,7-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019872	2,4,4'-Trihydroxychalcone, 2-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019873	2,4,5,9-Phenanthrenetetrol; 4,9-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019874	2,4-Dihydroxy-6-(2-phenylethenyl)benzoic acid, 4-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019875	2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran; 2',6-Di-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019876	2-Methylteretifolione A 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019877	3',4',7-Trihydroxyflavan, 3',4'-Methylene ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019878	3,7-Dihydroxyflavanone, 7-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019879	3,9-Dihydroxypterocarpan, 3-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019880	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Benzyl ester 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019881	3-Hydroxy-9-methoxypterocarpan 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019882	3-Methyl-1,2,7,8-anthracenetetrol; 1-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019883	4',7-Dihydroxyflavanone, 4'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019884	4',7-Dihydroxyflavanone, 7-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019885	4',7-Dihydroxyisoflavanone, 4'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019886	4-Methoxydalbergione, 4'-Hydroxy 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019887	5,7-Dihydroxy-6-methylflavanone 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019888	5,7-Dihydroxy-8-methylflavanone 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019889	5,7-Dihydroxyflavanone, 7-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019890	5,7-Dihydroxyflavanone, 5-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019891	5,7-Dihydroxyflavanone, 7-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019892	5,8-Dihydroxy-2-(4-methyl-1,3-pentadienyl)-1,4-naphthoquinone 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019893	5-Hydroxy-6-(1,1-dimethyl-2-propenyl)angelicin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019894	5-Hydroxy-6-methoxy-2-methyl-3-phenylbenzofuran; 1'-Hydroxy 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019895	6-Hydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019896	7,8-Dihydroxyflavanone, 8-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019897	7-Hydroxy-3-(4-hydroxybenzyl)-4-chromanone 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019898	Alloimperatorin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019899	Alloisoimperatorin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019900	Bakeprofen 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019901	Cepacin A 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019902	Dehydroiso-?-lapachone, 5-Methoxy 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019903	Dehydroiso-?-lapachone, 8-Methoxy 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019904	Demethylcacalohastine; 3,4-Didehydro, 13-hydroxy, 15-oxo, 9-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019905	Flavidin; 3-Hydroxy, 2-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019906	Flavidin; 6-Hydroxy, 7-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019907	Flavidin; 8-Hydroxy, 2-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019908	Furopinnarin; O-De-Me 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019909	Hydrangenol, 4'-Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019910	Hyperolactone C 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019911	Imperatorin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019912	Isobergaptol; O-(3-Methyl-2-butenyl) 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019913	Isoimperatorin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019914	Lucidone; Me ether 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019915	Maturin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019916	Pacharin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019917	Parviflorin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019918	Praemorsin 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019919	Swietenocoumarin A; 2',3'-Epoxide 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019920	Swietenocoumarin A; ?1'-Isomer, 3'-hydroxy 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019921	Swietenone 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MJ019922	Xanthotoxol; O-(3-Methyl-3-butenyl) 	C16H14O4	270.089208	NA	MeJP	NA	NA
+MetaCyc02416	pinostrobin [(S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4-benzopyrone;]	C16H14O4	270.089209	NA	metacyc	NA	NA
+MetaCyc02417	(-)-medicarpin [(6aR,11aR)-medicarpin;demethylhomopterocarpin;]	C16H14O4	270.089209	NA	metacyc	NA	NA
+MetaCyc02418	2'-O-methylisoliquiritigenin [4,4'-dihydroxy-2'-methoxy chalcone;]	C16H14O4	270.089209	NA	metacyc	NA	NA
+MJ019923	Medazepam 	C16H15ClN2	270.092376	NA	MeJP	NA	NA
+MJ019924	D-erythro-L-galacto-Nonulose 	C9H18O9	270.095082	NA	MeJP	NA	NA
+MJ019925	D-erythro-L-gluco-Nonulose 	C9H18O9	270.095082	NA	MeJP	NA	NA
+C04583	6-Hydroxyl-1,6-dihydropurine ribonucleoside	C10H14N4O5	270.0964	NA	KEGG	NA	NA
+PJ000132	DH 	C10H14N4O5	270.0964	NA	PeJP	NA	NA
+MJ019926	N?-Aspartylhistidine; L-L-form 	C10H14N4O5	270.096419	NA	MeJP	NA	NA
+C07495	Dihydroxycarbazepine	C15H14N2O3	270.1004	NA	KEGG	NA	NA
+MJ019927	1,2,6-Trimethoxyphenazine 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019928	?-Carboline-1-propanoic acid; 6-Hydroxy, Me ester 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019929	?-Carboline-1-propanoic acid; 6-Methoxy 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019930	?-Carboline-1-propanoic acid; 7-Methoxy 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019931	Aaptosamine 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019932	Anilamate 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019933	Antibiotic NG 061 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019934	Oxopropaline D 	C15H14N2O3	270.100442	NA	MeJP	NA	NA
+MJ019935	Illifunone, 12-Deoxy, 12-chloro 	C14H19ClO3	270.102272	NA	MeJP	NA	NA
+C07148	Tolbutamide	C12H18N2O3S	270.1038	NA	KEGG	NA	NA
+MJ019936	Tolbutamide 	C12H18N2O3S	270.103813	NA	MeJP	NA	NA
+CJneg0489	2-ethylsuberic acid  [(M-H)+(HCOONa)]-	C11H18NaO6	270.108525	C18rt(min)=6.6 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0489	2-ethylsuberic acid  [(M-H)+(HCOONa)]-	C11H18NaO6	270.108525	C18rt(min)=6.6 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ019937	2',3',4',5',6'-Pentahydroxyacetophenone; Penta-Me ether 	C13H18O6	270.110338	NA	MeJP	NA	NA
+MJ019938	5-Methyl-1,3-benzenediol; O-?-L-Rhamnopyranoside 	C13H18O6	270.110338	NA	MeJP	NA	NA
+MJ019939	Benzyl glucopyranoside; ?-D-form 	C13H18O6	270.110338	NA	MeJP	NA	NA
+MJ019940	Razobazam 	C14H14N4O2	270.111675	NA	MeJP	NA	NA
+C07877	Chloroprocaine	C13H19ClN2O2	270.1135	NA	KEGG	NA	NA
+C07878	Transferred to D00732	C13H19ClN2O2	270.1135	NA	KEGG	NA	NA
+MJ019941	Chloroprocaine 	C13H19ClN2O2	270.113505	NA	MeJP	NA	NA
+CJpos0670	Phe Ser Ser Phe [(M+H)+(H2O)]+	C12H19N2O5	270.120975	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0670	Phe Ser § Ser Phe [(M+H)+(H2O)]+	C12H19N2O5	270.120975	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ019942	Antibiotic OM 001 	C12H18N2O5	270.121571	NA	MeJP	NA	NA
+MJ019943	Bacilysin 	C12H18N2O5	270.121571	NA	MeJP	NA	NA
+MJ019944	Epervudine 	C12H18N2O5	270.121571	NA	MeJP	NA	NA
+MJ019945	Glucose 3-nitropropanoates; 1,6-Bis-(3-nitropropanoyl)-?-D-glucopyranose 	C12H18N2O5	270.121571	NA	MeJP	NA	NA
+MJ019946	Hypoglycin B 	C12H18N2O5	270.121571	NA	MeJP	NA	NA
+C08280	L-gamma-Glutamyl-L-hypoglycin	C12H18N2O5	270.1216	NA	KEGG	NA	NA
+FL1DUNNM0001	4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione	C17H18O3	270.12559	34328-56-8	knapsack	NA	NA
+FL6F1ANM0002	4'-Hydroxy-7-methoxy-8-methylflavan	C17H18O3	270.12559	27348-55-6	knapsack	NA	NA
+FL6FA9NM0001	7-Hydroxy-5-methoxy-6-methylflavan	C17H18O3	270.12559	35290-19-8	knapsack	NA	NA
+FL6FA9NS0002	Tephrowatsin E	C17H18O3	270.12559	97640-83-0	knapsack	NA	NA
+FLNC29NS0003	(R)-5-Hydroxy-2,4-dimethoxydalbergiquinol	C17H18O3	270.12559	82358-44-9	knapsack	NA	NA
+MJ019947	1-(2,6-Dihydroxyphenyl)-5-phenyl-1-pentanone 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019948	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, Tri-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019949	2,2,4-Trimethyl-5-(1-oxo-3-phenylpropyl)-4-cyclopentene-1,3-dione 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019950	2,3,5-Phenanthrenetriol; 9,10-Dihydro, tri-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019951	2,3,7-Phenanthrenetriol; 9,10-Dihydro, tri-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019952	2,5,6-Phenanthrenetriol; 9,10-Dihydro, tri-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019953	2,5-Dihydroxy-3-(3-methyl-2-butenyl)-6-(3-methyl-3-buten-1-ynyl)benzaldehyde 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019954	3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-O-(2-Methylpropanoyl) 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019955	3,4,5-Trimethylnaphtho[2,3-b]furan-6,8-diol; Di-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019956	3-(1,1-Dimethyl-2-propenyl)-4-methoxy-6-phenyl-2H-pyran-2-one 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019957	4',7-Dihydroxy-8-methylflavan, 7-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019958	4-(3-Phenyl-2-propenyl)-1,2,3-benzenetriol, 2',3'-Di-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019959	4-(3-Phenyl-2-propenyl)-1,2,3-benzenetriol, 2',4'-Di-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019960	4b?,7-Dihydroxy-1-methyl-8-methylene-1,3,4a(10a)-gibbatrien-10-one 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019961	5,7-Dihydroxyflavan, 5,7-Di-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019962	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019963	Dalbergiphenol 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019964	Daphneolone 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019965	Demethylcacalohastine; 3,4-Didehydro, 14-methoxy, 9-Me ether 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019966	Hyperenone A 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019967	Neocryptotanshinone II 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019968	Sargasal II 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019969	Violastyrene 	C17H18O3	270.125594	NA	MeJP	NA	NA
+MJ019970	1-Azabicyclo[2.2.1]heptan-3-one O-[3-(3-methoxyphenyl)-2-propynyl]oxime 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019971	Albonoursin, 1-N-Me 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019972	Butanixin 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019973	Chanoclavine I, Carboxylic acid 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019974	Clavicipitic acid I; Natural-form 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019975	Domoxin 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019976	Etonam 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019977	Molliclavine 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019978	N,N'-Dibenzylurea; 4''-Methoxy 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019979	Penniclavine 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019980	Pimetremide 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019981	Quinolactacin A 	C16H18N2O2	270.136827	NA	MeJP	NA	NA
+MJ019982	2-Chloro-3-hydroxy-7-chamigren-9-one 	C15H23ClO2	270.138657	NA	MeJP	NA	NA
+MJ019983	4-Chloro-3,7-epoxy-9-chamigranone 	C15H23ClO2	270.138657	NA	MeJP	NA	NA
+MJ019984	10-Hydroxy-4,9-dimethyl-3,6-dodecadienedioic acid 	C14H22O5	270.146723	NA	MeJP	NA	NA
+MJ019985	5,8-Dihydroxy-2,6-dodecadienoic acid, 8-Ac 	C14H22O5	270.146723	NA	MeJP	NA	NA
+MJ019986	Botrylactone 	C14H22O5	270.146723	NA	MeJP	NA	NA
+MJ019987	Illifunone, 5,6-Dihydro, 5S-hydroxy 	C14H22O5	270.146723	NA	MeJP	NA	NA
+MJ019988	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,3,N8,N8-Tetra-Me 	C14H18N6	270.159294	NA	MeJP	NA	NA
+MJ019989	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,N2,N8,N8-Tetra-Me 	C14H18N6	270.159294	NA	MeJP	NA	NA
+MJ019990	Pseudozoanthoxin A; 1,3,N6,N6-Tetra-Me 	C14H18N6	270.159294	NA	MeJP	NA	NA
+MJ019991	Pseudozoanthoxin A; 1,N2,N2,N6-Tetra-Me 	C14H18N6	270.159294	NA	MeJP	NA	NA
+MJ019992	Pseudozoanthoxin A; 3,N2,N6,N6-Tetra-Me 	C14H18N6	270.159294	NA	MeJP	NA	NA
+MJ019993	Pseudozoanthoxin A; N2,N2,N6,N6-Tetra-Me 	C14H18N6	270.159294	NA	MeJP	NA	NA
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR393	Estrone F1	NA	270.161075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR393	Estrone F1	NA	270.161075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ019994	Estrone 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ019995	15-Octadecene-9,11,13-triynoic acid 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ019996	16,17-Epoxyestra-1,3,5(10)-trien-3-ol 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ019997	16-Oxo-9,17-octadecadiene-12,14-diyn-1-al 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ019998	17-Octadecene-9,11,13-triynoic acid 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ019999	2,3-Bis(4-hydroxyphenyl)-2,3-dimethylbutane 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020000	3,4-Bis(4-hydroxyphenyl)hexane 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020001	4-Tridecene-7,9,11-triyn-1-ol, 3-Methylbutanoyl 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020002	6,8,14-Hexadecatriene-10,12-diyn-1-ol, Ac 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020003	6-Acetyl-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020004	7,9,15-Heptadecatriene-11,13-diynoic acid, Me ester 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020005	Chamanen 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020006	Estrone 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020007	Faveline 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020008	Tanzawaic acid C; 1-Deoxy, 1,2,4a,8a-tetradehydro 	C18H22O2	270.161979	NA	MeJP	NA	NA
+MJ020009	Trenbolone 	C18H22O2	270.161979	NA	MeJP	NA	NA
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	HMDB	NA	NA
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02419	estrone [hydroxyestrones;folliculin;estrovarin;estrone;3-hydroxyl-1,3,5(10)-estratien-17-one;estrol;follicular hormone;progynon;]	C18H22O2	270.16198	53-16-7	metacyc	NA	NA
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR107	Estrone	C18H22O2	270.16198	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00145	Estrone	C18H22O2	270.161987	NA	HMDB2010	NA	NA
+HMDB00145	Estrone	C18H22O2	270.16199	http://www.hmdb.ca/metabolites/HMDB00145	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00145	Estrone	C18H22O2	270.16199	http://www.hmdb.ca/metabolites/HMDB00145	HMDB	NA	NA
+HMDB00145	Estrone	C18H22O2	270.16199	http://www.hmdb.ca/metabolites/HMDB00145	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00145	Estrone	C18H22O2	270.16199	HMDB00145	PFEM_hmdb_metabocards_official	NA	NA
+EUR107	Estrone	C18H22O2	270.162	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR107	Estrone	C18H22O2	270.162	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR107	Estrone	C18H22O2	270.162	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR107	Estrone	C18H22O2	270.162	Wishlist	Inhousejuil11	NA	NA
+C00468	Estrone	C18H22O2	270.162	NA	KEGG	NA	NA
+C13101	Hexestrol	C18H22O2	270.162	NA	KEGG	NA	NA
+C14261	Trenbolone	C18H22O2	270.162	NA	KEGG	NA	NA
+C14485	17beta-Dihydroequilin	C18H22O2	270.162	NA	KEGG	NA	NA
+C14590	Estra-1,3,5(10),6-tetraen-3,17beta-diol	C18H22O2	270.162	NA	KEGG	NA	NA
+C15215	3-Hydroxyestra-1,3,5(10)-trien-16-one	C18H22O2	270.162	NA	KEGG	NA	NA
+7799	ACE inhibitor	AVVRP	270.163	MH2+	Inhouse_peptide	NA	peptide
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR521	Estrone sulphate F1	NA	270.165425	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ020010	Dasycarpidone, 1?-Alcohol 	C17H22N2O	270.173213	NA	MeJP	NA	NA
+MJ020011	Doxylamine 	C17H22N2O	270.173213	NA	MeJP	NA	NA
+MJ020012	Erythreidine 	C17H22N2O	270.173213	NA	MeJP	NA	NA
+MJ020013	Erythreine 	C17H22N2O	270.173213	NA	MeJP	NA	NA
+MJ020014	Huperzine B; N-Me 	C17H22N2O	270.173213	NA	MeJP	NA	NA
+MJ020015	Huperzinine 	C17H22N2O	270.173213	NA	MeJP	NA	NA
+HMDB01936	Doxylamine	C17H22N2O	270.173218	NA	HMDB2010	NA	NA
+HMDB01936	Doxylamine	C17H22N2O	270.17322	http://www.hmdb.ca/metabolites/HMDB01936	HMDB	NA	NA
+HMDB01936	Doxylamine	C17H22N2O	270.17322	HMDB01936	PFEM_hmdb_metabocards_official	NA	NA
+C16506	(10S)-Juvenile hormone III acid diol	C15H26O4	270.1831	NA	KEGG	NA	NA
+MJ020016	1(10),4-Germacradiene-2,6-diol, 1?,10?:4?,5?-Diepoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020017	1(10),4-Germacradiene-2,6-diol, 1?,10?:4?,5?-Diepoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020018	1,2,9-Trihydroxydihydro-?-agarofuran 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020019	1,6,11-Farnesatriene-3,5,10-triol; 10-Hydroperoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020020	1,6,9-Farnesatriene-3,5,11-triol, 11-Hydroperoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020021	1,6,9-Trihydroxydihydro-?-agarofuran 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020022	10,11-Dihydroxy-2,6-farnesadien-1-oic acid 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020023	11,12-Dihydroxy-4,5-seco-4,5-eudesmanedione; 11?-form 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020024	11-Eudesmene-3,4,7,8-tetrol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020025	2,6,10-Farnesatriene-1,5,8,12-tetrol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020026	2,6-Epoxy-1,2-dihydroxy-2,3-seco-3-allohimachalanone 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020027	2-Decyl-2-pentenedioic acid 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020028	3(4?5)-Abeo-3,7,11-trihydroxy-4-eudesmanone 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020029	4(15),10(14)-Germacradiene-1,2,5,6-tetrol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020030	4(15),9-Germacradiene-1,2,5,6-tetrol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020031	4(15)-Eudesmene-3,7,11-triol, 3-Hydroperoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020032	4,6-Diethyl-6-(1-pentenyl)-1,2-dioxane-3-acetic acid 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020033	4-Decyl-2-pentenedioic acid 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020034	5,10(14)-Germacradiene-1,3,4-triol, 1-Hydroperoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020035	5,10-Epoxy-4(15)-germacrene-1,2,6-triol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020036	5,11,12-Trihydroxy-4-iphionanone 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020037	7,8-Epoxy-4,6,9-daucanetriol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020038	7-Drimene-6,9,11-triol, 12-Hydroxy 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020039	8-Daucene-3,4,11,14-tetrol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020040	8-Daucene-4,6,10-triol, 8?,9?-Epoxide 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020041	Benghalensitriol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020042	Deacetyldihydrobotrydial 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020043	Fercoperol 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MJ020044	Yingzhaosu A 	C15H26O4	270.183109	NA	MeJP	NA	NA
+MetaCyc02420	dihydroartemisinic acid hydroperoxide []	C15H26O4	270.183109	NA	metacyc	NA	NA
+MJ020045	Pirogliride 	C16H22N4	270.184446	NA	MeJP	NA	NA
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR391	Dehydroepiandrosterone F2	NA	270.196975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR391	Dehydroepiandrosterone F2	NA	270.196975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR391	Dehydroepiandrosterone F2	NA	270.196975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR391	Dehydroepiandrosterone F2	NA	270.196975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR391	Dehydroepiandrosterone F2	F2	270.196975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR388	Testosterone F2	NA	270.198175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR388	Testosterone F2	NA	270.198175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR388	Testosterone F2	NA	270.198175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR388	Testosterone F2	NA	270.198175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR388	Testosterone F2	F2	270.198175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ020046	19-Nor-4(18),8,11,13-abietatetraen-7-ol; 7?-form 	C19H26O	270.198365	NA	MeJP	NA	NA
+MJ020047	2-Ethenyl-2,8-dimethyl-5-(4-methyl-3-pentenyl)chroman 	C19H26O	270.198365	NA	MeJP	NA	NA
+MJ020048	20-Nor-1(10),8,11,13-abietatetraen-12-ol 	C19H26O	270.198365	NA	MeJP	NA	NA
+MJ020049	Androsta-4,16-dien-3-one 	C19H26O	270.198365	NA	MeJP	NA	NA
+MJ020050	Clathrin B 	C19H26O	270.198365	NA	MeJP	NA	NA
+C15020	17beta-Methylestra-1,3,5(10)-trien-3-ol	C19H26O	270.1984	NA	KEGG	NA	NA
+C15085	17-Methyl-18-norandrosta-4,13(17)-dien-3-one	C19H26O	270.1984	NA	KEGG	NA	NA
+MJ020051	8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole 	C18H26N2	270.209598	NA	MeJP	NA	NA
+HMDB10733	3-Oxohexadecanoic acid	C16H30O3	270.219482	NA	HMDB2010	NA	NA
+MJ020052	11-Oxohexadecanoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020053	12-Hydroxy-9-hexadecenoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020054	16-Hydroxy-7-hexadecenoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020055	16-Hydroxy-9-hexadecenoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020056	2-Methyl-4-oxopentadecanoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020057	5-Oxohexadecanoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020058	7-Oxohexadecanoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020059	8-Oxohexadecanoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020060	9-Oxohexadecanoic acid 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020061	Malyngolide 	C16H30O3	270.219494	NA	MeJP	NA	NA
+MJ020062	1,3,13-Valparatriene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020063	1,3,15-Valparatriene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020064	1-(1,9-Dimethyl-5-methylene-8-decenyl)-4-methylbenzene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020065	2,4,7,11,15-Cembrapentaene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020066	6,8(14),15-Isopimaratriene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020067	6,8,11,13-Cleistanthatetraene; 6,7-Dihydro 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020068	8,10,13,15,17-Lobapentaene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020069	8,11,13-Abietatriene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020070	8,11,13-Sphaerotriene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020071	9-Geranyl-p-cymene 	C20H30	270.23475	NA	MeJP	NA	NA
+MJ020072	10-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020073	11-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020074	12-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020075	14-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020076	15-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020077	2,6,10-Trimethyltridecanoic acid, Me ester 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020078	2-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020079	3-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020080	4,10-Dimethyl-7-tridecanol, Ac 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020081	4-Hydroxy-7-heptadecanone 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020082	4-Methyl-7-tetradecanol; Ac 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020083	4-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020084	5,9,13-Trimethyltetradecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020085	8-Pentadecanol; Ac 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020086	9-Methylhexadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020087	Heptadecanoic acid 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020088	Hexadecanoic acid; Me ester 	C17H34O2	270.25588	NA	MeJP	NA	NA
+MJ020089	Tetradecanoic acid; Isopropyl ester 	C17H34O2	270.25588	NA	MeJP	NA	NA
+HMDB02259	Heptadecanoic acid	C17H34O2	270.25589	http://www.hmdb.ca/metabolites/HMDB02259	HMDB	NA	NA
+HMDB02259	Heptadecanoic acid	C17H34O2	270.25589	HMDB02259	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02259	Heptadecanoic acid	C17H34O2	270.25589	NA	HMDB2010	NA	NA
+C16995	Methyl palmitate	C17H34O2	270.2559	NA	KEGG	NA	NA
+MJ020090	1-Octadecanol 	C18H38O	270.292265	NA	MeJP	NA	NA
+MJ020091	2-Octadecanol 	C18H38O	270.292265	NA	MeJP	NA	NA
+MJ020092	3,7-Dimethyl-2-hexadecanol 	C18H38O	270.292265	NA	MeJP	NA	NA
+MJ020093	3-Octadecanol 	C18H38O	270.292265	NA	MeJP	NA	NA
+MJ020094	6,10,14-Trimethyl-2-pentadecanol 	C18H38O	270.292265	NA	MeJP	NA	NA
+HMDB02350	Octadecanol	C18H38O	270.292267	NA	HMDB2010	NA	NA
+HMDB02350	Octadecanol	C18H38O	270.29227	http://www.hmdb.ca/metabolites/HMDB02350	HMDB	NA	NA
+HMDB02350	Octadecanol	C18H38O	270.29227	HMDB02350	PFEM_hmdb_metabocards_official	NA	NA
+MJ020095	Pyoluteorin 	C11H7Cl2NO3	270.980298	NA	MeJP	NA	NA
+MJ020096	Matemone 	C10H10BrNO3	270.984405	NA	MeJP	NA	NA
+MJ020097	Muzolimine 	C11H11Cl2N3O	271.027917	NA	MeJP	NA	NA
+MJ020098	2,2-Bis(hydroxymethyl)-1,3-propanediol; Trinitrate 	C5H9N3O10	271.028793	NA	MeJP	NA	NA
+MJ020099	7-Chloro-4-hydroxy-3-phenyl-2(1H)-quinolinone 	C15H10ClNO2	271.040006	NA	MeJP	NA	NA
+MJ020100	4-Nitro-4'-isothiocyanatodiphenylamine 	C13H9N3O2S	271.041547	NA	MeJP	NA	NA
+C03225	3,5-Dinitro-L-tyrosine	C9H9N3O7	271.0441	NA	KEGG	NA	NA
+MJ020101	4-(Ethylsulfonyl)benzaldehyde; Thiosemicarbazone 	C10H13N3O2S2	271.044918	NA	MeJP	NA	NA
+MJ020102	Bostrycoidin; 7-O-De-Me 	C14H9NO5	271.048072	NA	MeJP	NA	NA
+MJ020103	Narciprimine 	C14H9NO5	271.048072	NA	MeJP	NA	NA
+MJ020104	Tariacuripyrone; 9-Methoxy 	C14H9NO5	271.048072	NA	MeJP	NA	NA
+MJ020105	Clorgiline 	C13H15Cl2NO	271.053069	NA	MeJP	NA	NA
+MetaCyc02421	clorgyline [clorgiline;]	C13H15N1O1CL2	271.05307	NA	metacyc	NA	NA
+C11685	Clorgyline	C13H15Cl2NO	271.0531	NA	KEGG	NA	NA
+C05904	Pelargonidin	C15H11O5	271.0606	NA	KEGG	NA	NA
+C08652	Luteolinidin	C15H11O5	271.0606	NA	KEGG	NA	NA
+FL7AAANS0001	Pelargonidin	C15H11O5	271.06064	134-04-3	knapsack	NA	NA
+FL7DACNS0001	Luteolinidin	C15H11O5	271.06064	1154-78-5	knapsack	NA	NA
+MJ020106	Pelargonidin 	C15H11O5	271.060648	NA	MeJP	NA	NA
+MetaCyc02422	pelargonidin [3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride;3,4',5,7-tetrahydroxyflavylium chloride;3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride;1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride;Flavylium, 3,4',5,7-tetrahydroxy-, chloride;Pelargonidin chloride;Pelargonidol chloride;]	C15H11O5	271.060648	134-04-3	metacyc	NA	NA
+MetaCyc02423	naringenin chalcone [2'44'6'-tetrahydroxychalcone;]	C15H11O5	271.060648	520-36-5	metacyc	NA	NA
+MJ020107	Diproxadol 	C12H14ClNO4	271.061135	NA	MeJP	NA	NA
+MJ020108	10H-Phenothiazine-2-acetic acid; N-Me 	C15H13NO2S	271.066699	NA	MeJP	NA	NA
+MJ020109	Clavulanic acid, 3-Hydroxypropanoyl 	C11H13NO7	271.069201	NA	MeJP	NA	NA
+MJ020110	Ciadox 	C12H9N5O3	271.070539	NA	MeJP	NA	NA
+MJ020111	Famotine 	C16H14ClNO	271.076391	NA	MeJP	NA	NA
+MJ020112	Cytosine; 1H-form, 1-N-(3-Deoxy-?-D-galacturonopyranosyl) 	C10H13N3O6	271.080435	NA	MeJP	NA	NA
+MJ020113	Metronidazole; 3-Carboxypropanoyl 	C10H13N3O6	271.080435	NA	MeJP	NA	NA
+MJ020114	Benfosformin 	C9H14N5O3P	271.083425	NA	MeJP	NA	NA
+MJ020115	1,2,3-Trihydroxyacridone; 2,3-Di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020116	1,3,5-Trihydroxyacridone; O3,N-Di-Me 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020117	1,3,5-Trihydroxyacridone; O5,N-Di-Me 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020118	1,3,6-Trihydroxyacridone; O3,N-Di-Me 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020119	1,3,8-Trihydroxyacridone; O3,N-Di-Me 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020120	1,6-Dihydroxy-9H-carbazole-3-carboxaldehyde; Carboxylic acid, 6-Me ether, Me ester 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020121	2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 3-Carboxylic acid, di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020122	2-Benzamidobenzoic acid; 4-Hydroxy, Me ester 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020123	2-Hydroxybenzoic acid; 4-(Acetylamino)phenyl ester 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020124	3,6,7-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3,6-Di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020125	3,7,8-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3,7-Di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020126	3,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 3,8-Di-Me-ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020127	6,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 6,9-Di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020128	7,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 7,8-Di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020129	7,8,9-Trihydroxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one; 8,9-Di-Me ether 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020130	Enkleine 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020131	Koeniginequinone A; 6-Methoxy 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MJ020132	Lansine; 8-Methoxy 	C15H13NO4	271.084457	NA	MeJP	NA	NA
+MetaCyc02424	N-benzoyl-4-methoxyanthranilate [N-benzoyl-4-O-methoxyanthranilate;]	C15H13N1O4	271.084458	NA	metacyc	NA	NA
+C04208	N-Benzoyl-4-methoxyanthranilate	C15H13NO4	271.0845	NA	KEGG	NA	NA
+C15457	trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane	C15H13NO4	271.0845	NA	KEGG	NA	NA
+MJ020133	Ftivazide 	C14H13N3O3	271.095691	NA	MeJP	NA	NA
+MJ020134	Carbutamide 	C11H17N3O3S	271.099062	NA	MeJP	NA	NA
+MJ020135	Otanthusic acid, 2,3-Didehydropiperidide 	C16H17NOS	271.103084	NA	MeJP	NA	NA
+MJ020136	1-Hydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, O-?-D-glucopyranoside 	C12H17NO6	271.105587	NA	MeJP	NA	NA
+MJ020137	3-Pyridinemethanol; O-?-D-Glucopyranoside 	C12H17NO6	271.105587	NA	MeJP	NA	NA
+MJ020138	4-Aminophenyl glucopyranoside; ?-D-form 	C12H17NO6	271.105587	NA	MeJP	NA	NA
+MJ020139	4-Aminophenyl glucopyranoside; ?-D-form 	C12H17NO6	271.105587	NA	MeJP	NA	NA
+C08329	Deidaclin	C12H17NO6	271.1056	NA	KEGG	NA	NA
+MJ020140	Zaprinast 	C13H13N5O2	271.106924	NA	MeJP	NA	NA
+3784	NA	YYPT	271.1125	MH2+	Inhouse_peptide	NA	peptide
+MJ020141	Carbubarb 	C11H17N3O5	271.11682	NA	MeJP	NA	NA
+C06160	(S)-Norcoclaurine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C06346	(R,S)-Norcoclaurine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C06347	(R)-Norcoclaurine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C08521	Caranine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C10174	Trichostachine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C11785	Normorphine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C12162	Crinine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C12193	Vittatine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+C16703	N-Demethylnarwedine	C16H17NO3	271.1208	NA	KEGG	NA	NA
+MJ020142	(S)-Norcoclaurine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020143	1,2,8-Trimethoxy-6-methyl-9H-carbazole 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020144	2-(4-Methoxyphenyl)ethylamine; N-(2-Hydroxybenzoyl) 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020145	3,4,6-Trihydroxy-1,2-dimethylcarbazole; 3,6-Di-Me ether 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020146	Annapawine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020147	Apohyoscine; N-De-Me 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020148	Balfourodine, 1'-Deoxy, 1',2'-didehydro 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020149	Caranine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020150	Craugsodine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020151	Crinine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020152	Epicrinine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020153	Flindersine; 6-Methoxy, N-Me 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020154	Flindersine; 7-Methoxy, N-Me 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020155	Flindersine; 8-Methoxy, N-Me 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020156	Haemultine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020157	Higenamine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020158	Illudinine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020159	Insulamine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020160	Ismine; Me ether 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020161	Normorphine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020162	Powellamine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020163	Powellidine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020164	Tembamide 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020165	Trichostachine 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MJ020166	?-Erythroidine; Didehydro (?) 	C16H17NO3	271.120843	NA	MeJP	NA	NA
+MetaCyc02425	(S)-norcoclaurine [1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6,7-isoquinolinediol;]	C16H17N1O3	271.120843	NA	metacyc	NA	NA
+MetaCyc02426	(R)-norcoclaurine []	C16H17N1O3	271.120843	NA	metacyc	NA	NA
+CJpos0671	Phe Ser Ser Phe [(M+H)+(H2O)]+ (13C)	C1113CH19N2O5	271.124375	C18rt(min)=5.01 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0671	Phe Ser § Ser Phe [(M+H)+(H2O)]+ (13C)	C1113CH19N2O5	271.124375	C18rt(min)=5.01 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+8163	antimicrobial peptide derived from aS1-casein (10-14)	GLPQE	271.1285	MH2+	Inhouse_peptide	NA	peptide
+MJ020167	Cynometrine; N1-De-Me 	C15H17N3O2	271.132076	NA	MeJP	NA	NA
+MJ020168	Bupranolol 	C14H22ClNO2	271.133906	NA	MeJP	NA	NA
+HMDB11654	2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine	C11H19N4O4	271.140625	NA	HMDB2010	NA	NA
+MetaCyc02427	2-[3-carboxy-3-(methylammonio)propyl]-L-histidine [[3-[[4-(2-amino-2-carboxy-ethyl)-1H-imidazol-2-yl]]-1-carboxy- propyl]-methyl-ammonium;]	C11H19N4O4	271.14063	NA	metacyc	NA	NA
+7545	ACE inhibitor	GPV	271.141	antioxidative	Inhouse_peptide	NA	peptide
+MJ020169	Procerine 	C13H21NO5	271.141972	NA	MeJP	NA	NA
+43	Skin gelatin	GPV	271.142	celiac toxic	Inhouse_peptide	NA	peptide
+3537	ACE inhibitor	PR	271.153	ACE inhibitor	Inhouse_peptide	NA	peptide
+7582	ACE inhibitor	RP	271.153	antioxidative	Inhouse_peptide	NA	peptide
+PJ000133	GPV 	C12H21N3O4	271.1532	NA	PeJP	NA	NA
+C10843	Apoatropine	C17H21NO2	271.1572	NA	KEGG	NA	NA
+MJ020170	1H-Indole-3-propanoic acid; Cyclohexyl ester 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020171	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Cinnamoyl 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020172	Apoatropine 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020173	Cocculine 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020174	Dehydrojoubertiamine; Me ether 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020175	Desomorphine 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020176	Diphenhydramine; N-Oxide 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020177	Isococculidine, O15-De-Me 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020178	Nisoxetine 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+MJ020179	Wallemia A 	C17H21NO2	271.157228	NA	MeJP	NA	NA
+PJ000134	PR 	C11H21N5O3	271.1645	NA	PeJP	NA	NA
+CJpos0672	Heptenoylcarnitine isomer [(M+H)]+	C14H26NO4	271.177775	C18rt(min)=6.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0673	Heptenoylcarnitine isomer [(M+H)]+	C14H26NO4	271.177775	C18rt(min)=6.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0672	Heptenoylcarnitine isomer [(M+H)]+	C14H26NO4	271.177775	C18rt(min)=6.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0673	Heptenoylcarnitine isomer [(M+H)]+	C14H26NO4	271.177775	C18rt(min)=6.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ020180	Strigosine 	C14H25NO4	271.178358	NA	MeJP	NA	NA
+MJ020181	Trypargine 	C15H21N5	271.179695	NA	MeJP	NA	NA
+HMDB01920	Dextromethorphan	C18H25NO	271.1936	http://www.hmdb.ca/metabolites/HMDB01920	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01920	Dextromethorphan	C18H25NO	271.1936	http://www.hmdb.ca/metabolites/HMDB01920	HMDB	NA	NA
+C06947	Dextromethorphan	C18H25NO	271.1936	NA	KEGG	NA	NA
+C08396	Anacyclin	C18H25NO	271.1936	NA	KEGG	NA	NA
+HMDB01920	Dextromethorphan	C18H25NO	271.1936	http://www.hmdb.ca/metabolites/HMDB01920	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01920	Dextromethorphan	C18H25NO	271.1936	HMDB01920	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01920	Dextromethorphan	C18H25NO	271.193604	NA	HMDB2010	NA	NA
+MJ020182	10,12-Tetradecadiene-4,6-diynoic acid, 2-Methylpropylamide 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020183	17-Methylmorphinan-3-ol, Me ether 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020184	2,4,10-Tetradecatrien-8-ynoic acid, Pyrrolidide 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020185	2,4,8,10,12-Tetradecapentaenoic acid, 2-Methylenepropylamide 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020186	2,4-Decadienoic acid, 2-Phenylethylamide 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020187	2,7-Tridecadiene-10,12-diynoic acid, 2-Methylbutylamide 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020188	2-Nonyl-4(1H)-quinolinone 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020189	3-Aminoestra-1,3,5(10)-trien-17-ol; 17?-form 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020190	Anacycline 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020191	Cyclazocine 	C18H25NO	271.193614	NA	MeJP	NA	NA
+MJ020192	Nepinalone 	C18H25NO	271.193614	NA	MeJP	NA	NA
+HMDB06294	16-hydroxy hexadecanoic acid	C16H31O3	271.227325	NA	HMDB2010	NA	NA
+HMDB06294	omega hydroxy hexadecanoate (n-C16:0)	C16H31O3	271.22733	http://www.hmdb.ca/metabolites/HMDB06294	HMDB	NA	NA
+HMDB06294	omega hydroxy hexadecanoate (n-C16:0)	C16H31O3	271.22733	HMDB06294	PFEM_hmdb_metabocards_official	NA	NA
+MJ020193	Louludinium(1+) 	C19H30N(+)	271.229999	NA	MeJP	NA	NA
+MJ020194	2-Amino-4-hexadecene-1,3-diol 	C16H33NO2	271.251129	NA	MeJP	NA	NA
+MJ020195	Andrachamine; 2',2''-Diepimer, N-Me 	C16H33NO2	271.251129	NA	MeJP	NA	NA
+MJ020196	Andrachamine; 2'-Epimer, N-Me 	C16H33NO2	271.251129	NA	MeJP	NA	NA
+MJ020197	Delmopinol 	C16H33NO2	271.251129	NA	MeJP	NA	NA
+C13377	Mercuric chloride	HgCl2	271.9083	NA	KEGG	NA	NA
+MJ020198	Mercury(II) chloride (HgCl2) 	Cl2Hg	271.908331	NA	MeJP	NA	NA
+MetaCyc02428	mercuric chloride [mercury bichloride;mercury perchloride;HgCl2;HgCl2;Cl2Hg;]	CL2HG1	271.908331	NA	metacyc	NA	NA
+MJ020199	1-Bromo-1,2-dichloro-1-octen-3-one 	C8H11BrCl2O	271.937033	NA	MeJP	NA	NA
+MJ020200	1,1-Dibromo-2-heptanol 	C7H14Br2O	271.94114	NA	MeJP	NA	NA
+C14189	2,4,6-Trichloro-4'-biphenylol	C12H7Cl3O	271.9562	NA	KEGG	NA	NA
+C14737	4,3',5'-Trichloro-4'-biphenol	C12H7Cl3O	271.9562	NA	KEGG	NA	NA
+C15212	2,2',5-Trichloro-4-hydroxybiphenyl	C12H7Cl3O	271.9562	NA	KEGG	NA	NA
+MJ020201	3,4-Dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one, 4?-Bromo 	C10H9BrO4	271.968421	NA	MeJP	NA	NA
+MJ020202	5,6-Dichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene 	C10H12Cl4	271.969311	NA	MeJP	NA	NA
+MJ020203	Oxypyrrolnitrin 	C10H6Cl2N2O3	271.975547	NA	MeJP	NA	NA
+MJ020204	Thiocystine 	C6H12N2O4S3	271.995918	NA	MeJP	NA	NA
+MJ020205	Zoledronic acid 	C5H10N2O7P2	271.996323	NA	MeJP	NA	NA
+MetaCyc02429	zoledronate [(1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid;Zoledronic acid;Zometa;CGP 42446;]	C5H10N2O7P2	271.996324	NA	metacyc	NA	NA
+C16198	(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate	C10H8O7S	271.9991	NA	KEGG	NA	NA
+MJ020206	Nitroscanate 	C13H8N2O3S	272.025562	NA	MeJP	NA	NA
+MetaCyc02430	dinitro-4-hydroxyphenylpyruvate [3,5-dinitro-4-hydroxyphenylpyruvate;]	C9H8N2O8	272.028065	NA	metacyc	NA	NA
+MJ020207	1,2,3,7-Tetrahydroxyxanthone; 2,3-Methylene ether 	C14H8O6	272.032087	NA	MeJP	NA	NA
+MJ020208	1,2,3,8-Tetrahydroxyxanthone; 1,2-Methylene ether 	C14H8O6	272.032087	NA	MeJP	NA	NA
+MJ020209	1,3,6,8-Tetrahydroxyanthraquinone 	C14H8O6	272.032087	NA	MeJP	NA	NA
+MJ020210	2,7-Dihydroxydibenzo[b,e]dioxin-1,6-dicarboxaldehyde 	C14H8O6	272.032087	NA	MeJP	NA	NA
+MJ020211	Canarione 	C14H8O6	272.032087	NA	MeJP	NA	NA
+MJ020212	2,3,9-Trihydroxy-1-phenazinecarboxylic acid 	C13H8N2O5	272.043321	NA	MeJP	NA	NA
+MJ020213	Sulfasuccinamide 	C10H12N2O5S	272.046692	NA	MeJP	NA	NA
+C07756	7-Aminocephalosporanic acid	C10H12N2O5S	272.0467	NA	KEGG	NA	NA
+C07757	Transferred to D00649	C10H12N2O5S	272.0467	NA	KEGG	NA	NA
+C15077	1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one	C15H12O3S	272.0507	NA	KEGG	NA	NA
+MJ020214	3-Hydroxymethyldibenzo[b,f]thiepin; S,S-Dioxide 	C15H12O3S	272.050714	NA	MeJP	NA	NA
+MJ020215	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy, 1-Ac 	C15H12O3S	272.050714	NA	MeJP	NA	NA
+MJ020216	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy, 2-Ac 	C15H12O3S	272.050714	NA	MeJP	NA	NA
+MJ020217	5-[4-(2-Furanyl)-3-buten-1-ynyl]-2-thiophenemethanol, Ac 	C15H12O3S	272.050714	NA	MeJP	NA	NA
+MJ020218	6-[5-(1-Propynyl)-2-thienyl]-3,5-hexadiyne-1,2-diol; 1-Ac 	C15H12O3S	272.050714	NA	MeJP	NA	NA
+MJ020219	Fukiic acid 	C11H12O8	272.053217	NA	MeJP	NA	NA
+MJ020220	Zolimidine 	C14H12N2O2S	272.061948	NA	MeJP	NA	NA
+MJ020221	Lactivicin 	C10H12N2O7	272.06445	NA	MeJP	NA	NA
+JH187	Naringenin [M+H]+	C15H12O5	272.0679	17.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH187	Naringenin [M+H]+	C15H12O5	272.0679	17.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH187	Naringenin [M+H]+	C15H12O5	272.0679	17.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH187	Naringenin [M+H]+	C15H12O5	272.0679	17.87	Inhousejuil11	NA	NA
+JH205	Catechin [M+H-H20]+	NA	272.06794	11.34	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH205	Catechin [M+H-H20]+	NA	272.06794	11.34	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH205	Catechin [M+H-H20]+	NA	272.06794	11.34	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH205	Catechin [M+H-H20]+	NA	272.06794	11.34	Inhousejuil11	NA	NA
+FL1C19NS0003	Pseudosindorin	C15H12O5	272.06847	-	knapsack	NA	NA
+FL1C1CNS0001	Butein	C15H12O5	272.06847	21849-70-7	knapsack	NA	NA
+FL1C1LNS0001	2,4,2',4'-Tetrahydroxychalcone	C15H12O5	272.06847	123702-96-5	knapsack	NA	NA
+FL1C3ANS0001	4,2',3',4'-Tetrahydroxychalcone	C15H12O5	272.06847	-	knapsack	NA	NA
+FL1CAANS0001	Naringenin chalcone;Chalconaringenin;Isosalipurpol;trans-2',4,4',6'-Tetrahydroxychalcone;(2E)- 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-Propen-1-one	C15H12O5	272.06847	25515-46-2	knapsack	NA	NA
+FL1CHYNS0002	Licodione	C15H12O5	272.06847	61153-76-2	knapsack	NA	NA
+FL2F1CNS0001	Butin	C15H12O5	272.06847	492-14-8	knapsack	NA	NA
+FL2F3ANS0001	7,8,4'-Trihydroxyflavanone	C15H12O5	272.06847	02/05/5023	knapsack	NA	NA
+FL2F9ANS0002	5,8,4'-Trihydroxyflavanone	C15H12O5	272.06847	123067-25-4	knapsack	NA	NA
+FL2FA8NS0005	5,7,2'-Trihydroxyflavanone	C15H12O5	272.06847	111199-94-1	knapsack	NA	NA
+FL2FA9NS0006	2beta-5,7-Trihydroxyflavanone	C15H12O5	272.06847	106009-52-3	knapsack	NA	NA
+FL2FA9NS0007	5,7,3'-Trihydroxyflavanone	C15H12O5	272.06847	104732-07-2	knapsack	NA	NA
+FL2FAANS0001	Naringenin	C15H12O5	272.06847	480-41-1	knapsack	NA	NA
+FL2FE9NS0001	Dihydrobaicalein	C15H12O5	272.06847	35683-17-1	knapsack	NA	NA
+FL2FF9NS0001	Dihydronorwogonin	C15H12O5	272.06847	123914-36-3	knapsack	NA	NA
+FL4D1ANS0001	Garbanzol	C15H12O5	272.06847	1226-22-8	knapsack	NA	NA
+FL4DA9NS0001	Pinobanksin	C15H12O5	272.06847	548-82-3	knapsack	NA	NA
+FLIB1LNS0003	2'-Hydroxydihydrodaidzein;7,2',4'-Trihydroxyisoflavanone	C15H12O5	272.06847	75519-15-2	knapsack	NA	NA
+FLID3ANS0002	4-Hydroxydemethylmedicarpin;3,4,9-Trihydroxypterocarpan	C15H12O5	272.06847	61255-58-1	knapsack	NA	NA
+FLIDHXNS0003	(-)-Glycinol;3,6a,9-Trihydroxypterocarpan	C15H12O5	272.06847	69393-95-9	knapsack	NA	NA
+MJ020222	1,2,3-Trihydroxyxanthone; 1,2-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020223	1,2,3-Trihydroxyxanthone; 2,3-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020224	1,2,4-Trihydroxyxanthone; 1,2-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020225	1,2,5-Trihydroxyxanthone; 1,2-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020226	1,2,7-Trihydroxyxanthone; 1,7-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020227	1,2,8-Trihydroxyxanthone; 1,2-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020228	1,2,8-Trihydroxyxanthone; 1,8-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020229	1,3,5-Trihydroxyxanthone; 1,3-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020230	1,3,5-Trihydroxyxanthone; 3,5-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020231	1,3,6-Trihydroxy-8-methylxanthone; 1-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020232	1,3,6-Trihydroxy-8-methylxanthone; 3-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020233	1,3,6-Trihydroxy-8-methylxanthone; 6-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020234	1,3,7-Trihydroxyxanthone; 3,7-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020235	1,5,6-Trihydroxyxanthone; 1,5-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020236	1,5,8-Trihydroxy-3-methylxanthone; 5-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020237	1,6,7-Trihydroxyxanthone; 1,7-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020238	1,6,7-Trihydroxyxanthone; 6,7-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020239	1,6-Dihydroxy-7-hydroxymethylxanthone; 6-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020240	1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanedione; 4'-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020241	1-Phenyl-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020242	2',3',4,4'-Tetrahydroxychalcone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020243	2',3,4',5-Tetrahydroxychalcone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020244	2',3,4,4'-Tetrahydroxychalcone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020245	2',4',7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020246	2',4',7-Trihydroxyisoflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020247	2',4,4',6'-Tetrahydroxychalcone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020248	2',5,7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020249	2,3,4,5-Tetrahydroxy-9H-fluoren-9-one; 2,4-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020250	2,3,4,6,7-Phenanthrenepentol; 4-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020251	2,3,4-Trihydroxyxanthone; 2,3-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020252	2,3,4-Trihydroxyxanthone; 2,4-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020253	2,3,4-Trihydroxyxanthone; 3,4-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020254	2,3,5-Trihydroxyxanthone; 2,5-Di-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020255	2,3-Dihydro-5-hydroxy-8-methoxy-2,4-dimethylnaphtho[1,2-b]furan-6,9-dione; 2,3-Didehydro 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020256	2-(1-Hydroxyethyl)-6-methoxynaphtho[2,3-b]furan-4,9-quinone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020257	2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 6-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020258	2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 6-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020259	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 1'?-Alcohol, Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020260	3',4',7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020261	3',5,7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020262	3,4',7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020263	3,4,9-Trihydroxypterocarpan 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020264	3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020265	3,5,7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020266	3,6a,9-Trihydroxypterocarpan 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020267	3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020268	3-Hydroxydehydroiso-?-lapachone, 8-Hydroxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020269	4',5,7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020270	4',5,8-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020271	4',7,8-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020272	5,6,7-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020273	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020274	5,7,8-Trihydroxyflavanone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020275	6-(3,4-Methylenedioxystyryl)-?-pyrone; 4-Methoxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020276	8-Hydroxy-6-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4,9-dione 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020277	Alternariol; 9-Me ether 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020278	Anhydrofusarubin; 5-Deoxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020279	Anhydrofusarubin; 6-Deoxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020280	Arugosin F 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020281	Asperxanthone; 10-O-De-Me 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020282	Autumnariol; 8-Methoxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020283	Dehydroiso-?-lapachone, 5,7-Dihydroxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020284	Hibiscoquinone D 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020285	Hydramacrophyllol A 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020286	Hydrangenol, 6-Hydroxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020287	Licodione 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020288	Microminutin 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020289	Mycosinol; 8,9-Epoxide, Ac 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020290	Pogopyrone A 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020291	Protosappanin A 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020292	Roxburghinol 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020293	Toralactone 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020294	Tucaresol 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020295	Ventiloquinone G; 3,4-Didehydro, 5-deoxy 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MJ020296	Naringenin 	C15H12O5	272.068473	NA	MeJP	NA	NA
+MetaCyc02431	licodione []	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02432	licodione [1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-3-propanedione;]	C15H12O5	272.068473	61153-76-2	metacyc	NA	NA
+MetaCyc02433	6,7,4'-trihydroxyflavanone []	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02434	(2R,3R)-pinobanksin []	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02435	p-coumaroyltriacetic acid lactone [p-coumaroyltriacetate lactone;]	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02436	(-)-glycinol [3,6,9-trihydroxypterocarpan;(6&alpha;S,11&alpha;S)-3,6&alpha;,9-trihydroxypterocarpan;]	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02437	2-hydroxyisoflavanone [2,7,4'-trihydroxyisoflavanone;]	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02438	2'-hydroxydihydrodaidzein [2'-hydroxy-2,3-dihydrodaidzein;]	C15H12O5	272.068473	NA	metacyc	NA	NA
+MetaCyc02439	naringenin [pelargidanon;salipurpol;naringetol;4;,5',7-trihydroxyflavanone;4',5,7-Trihydroxyflavanone;flavanone naringenin;]	C15H12O5	272.068473	480-41-1	metacyc	NA	NA
+MetaCyc02440	butein [2',4',3,4-tetrahydroxychalcone;]	C15H12O5	272.068473	NA	metacyc	NA	NA
+HMDB05897	Dihydrogenistein	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB05897	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02670	Naringenin	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB02670	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05897	Dihydrogenistein	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB05897	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB05897	Dihydrogenistein	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB05897	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02670	Naringenin	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB02670	HMDB	NA	NA
+HMDB05897	Dihydrogenistein	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB05897	HMDB	NA	NA
+HMDB02670	Naringenin	C15H12O5	272.06848	http://www.hmdb.ca/metabolites/HMDB02670	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02670	Naringenin	C15H12O5	272.06848	HMDB02670	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05897	Dihydrogenistein	C15H12O5	272.06848	HMDB05897	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02670	Naringenin	C15H12O5	272.068481	NA	HMDB2010	NA	NA
+HMDB05897	Dihydrogenistein	C15H12O5	272.068481	NA	HMDB2010	NA	NA
+C00509	Naringenin	C15H12O5	272.0685	NA	KEGG	NA	NA
+C01263	(6aS,11aS)-3,6a,9-Trihydroxypterocarpan	C15H12O5	272.0685	NA	KEGG	NA	NA
+C01264	2-Acetyl-1-alkyl-sn-glycero-3-phosphate	C5H10O7PR	272.0685	NA	KEGG	NA	NA
+C01592	Licodione	C15H12O5	272.0685	NA	KEGG	NA	NA
+C03567	2'-Hydroxydihydrodaidzein	C15H12O5	272.0685	NA	KEGG	NA	NA
+C06561	Naringenin chalcone	C15H12O5	272.0685	NA	KEGG	NA	NA
+C08578	Butein	C15H12O5	272.0685	NA	KEGG	NA	NA
+C09047	Rubrofusarin	C15H12O5	272.0685	NA	KEGG	NA	NA
+C09614	Butin	C15H12O5	272.0685	NA	KEGG	NA	NA
+C09751	Garbanzol	C15H12O5	272.0685	NA	KEGG	NA	NA
+C09826	Pinobanksin	C15H12O5	272.0685	NA	KEGG	NA	NA
+C12087	p-Coumaroyltriacetic acid lactone	C15H12O5	272.0685	NA	KEGG	NA	NA
+C14458	Dihydrogenistein	C15H12O5	272.0685	NA	KEGG	NA	NA
+C15567	2,7,4'-Trihydroxyisoflavanone	C15H12O5	272.0685	NA	KEGG	NA	NA
+C16232	6,7,4'-Trihydroxyflavanone	C15H12O5	272.0685	NA	KEGG	NA	NA
+C17673	Toralactone	C15H12O5	272.0685	NA	KEGG	NA	NA
+MJ020297	Lofendazam 	C15H13ClN2O	272.07164	NA	MeJP	NA	NA
+MJ020298	Dendrodoine 	C13H12N4OS	272.073181	NA	MeJP	NA	NA
+MJ020299	Nimustine 	C9H13ClN6O2	272.078851	NA	MeJP	NA	NA
+C14589	1,2-Bis(4-nitrophenyl)ethane	C14H12N2O4	272.0797	NA	KEGG	NA	NA
+MJ020300	Mitindomide 	C14H12N2O4	272.079706	NA	MeJP	NA	NA
+MJ020301	Picrasidine X; 1'-Hydroxy 	C14H12N2O4	272.079706	NA	MeJP	NA	NA
+MJ020302	1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone; Dechloro 	C13H17ClO4	272.081536	NA	MeJP	NA	NA
+MJ020303	Thienamycin 	C11H16N2O4S	272.083077	NA	MeJP	NA	NA
+C06664	Thienamycin	C11H16N2O4S	272.0831	NA	KEGG	NA	NA
+MJ020304	2-(1-Naphthalenyl)-1H-indene-1,3(2H)-dione 	C19H12O2	272.083729	NA	MeJP	NA	NA
+MJ020305	2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one; 4'-Deoxy 	C19H12O2	272.083729	NA	MeJP	NA	NA
+MJ020306	2-Hydroxy-9-phenyl-1H-phenalen-1-one 	C19H12O2	272.083729	NA	MeJP	NA	NA
+MJ020307	L-Arginine phosphate 	C6H17N4O6P	272.08857	NA	MeJP	NA	NA
+C06186	Arbutin	C12H16O7	272.0896	NA	KEGG	NA	NA
+C12079	alpha-Arbutin	C12H16O7	272.0896	NA	KEGG	NA	NA
+MJ020308	1,2-Benzenediol; O-?-D-Glucopyranoside 	C12H16O7	272.089602	NA	MeJP	NA	NA
+MJ020309	Arbutin 	C12H16O7	272.089602	NA	MeJP	NA	NA
+MJ020310	Cyathiformine B; 6-Deoxy 	C12H16O7	272.089602	NA	MeJP	NA	NA
+MJ020311	Montagnetol 	C12H16O7	272.089602	NA	MeJP	NA	NA
+MJ020312	Stryspinolactone 	C12H16O7	272.089602	NA	MeJP	NA	NA
+MJ020313	Arbutin 	C12H16O7	272.089602	NA	MeJP	NA	NA
+MetaCyc02441	hydroquinone-O-&beta;-D-glucopyranoside []	C12H16O7	272.089603	NA	metacyc	NA	NA
+MetaCyc02442	arbutin []	C12H16O7	272.089603	497-76-7	metacyc	NA	NA
+MJ020314	Cinoquidox 	C13H12N4O3	272.09094	NA	MeJP	NA	NA
+MJ020315	Arnoamine A; Me ether 	C18H12N2O	272.094963	NA	MeJP	NA	NA
+FL1D1ANS0002	4'-O-Methyldavidigenin	C16H16O4	272.10485	65428-04-8	knapsack	NA	NA
+FL1DA9NM0008	3'-Methyl-2',4',6'-trihydroxydihydrochalcone	C16H16O4	272.10485	70155-33-8	knapsack	NA	NA
+FL1DA9NS0002	2',6'-Dihydroxy-4'-methoxydihydrochalcone	C16H16O4	272.10485	35241-55-5	knapsack	NA	NA
+FL1DA9NS0003	Uvangoletin	C16H16O4	272.10485	76444-56-9	knapsack	NA	NA
+FL1DRTNS0001	Loureirin C	C16H16O4	272.10485	116384-24-8	knapsack	NA	NA
+FL1DRTNS0002	2,4'-Dihydroxy-4-methoxydihydrochalcone	C16H16O4	272.10485	98094-90-7	knapsack	NA	NA
+FL631ANS0002	Guibourtinidol-7-methyl ether	C16H16O4	272.10485	-	knapsack	NA	NA
+FL6F1CNS0001	3',4'-Dihydroxy-7-methoxyflavan	C16H16O4	272.10485	-	knapsack	NA	NA
+FL6F1CNS0002	7,4'-Dihydroxy-3'-methoxyflavan	C16H16O4	272.10485	95587-88-5	knapsack	NA	NA
+FL6F1CNS0003	7,3'-Dihydroxy-4'-methoxyflavan	C16H16O4	272.10485	162290-05-3	knapsack	NA	NA
+FL6FABNS0001	5,7-Dihydroxy-4'-methoxyflavan	C16H16O4	272.10485	131866-08-5	knapsack	NA	NA
+FLIC1LNS0003	(+)-Vestitol;(3S)-Vestitol;(3S)-3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol	C16H16O4	272.10485	20879-05-4	knapsack	NA	NA
+FLIC1LNS0005	Isovestitol;7,4'-Dihydroxy-2'-methoxyisoflavan	C16H16O4	272.10485	63631-42-5	knapsack	NA	NA
+FLIC1LNS0006	Neovestitol;2',4'-Dihydroxy-7-methoxyisoflavan	C16H16O4	272.10485	71772-21-9	knapsack	NA	NA
+FLIJ1ANS0001	Angolensin	C16H16O4	272.10485	4842-48-2	knapsack	NA	NA
+HMDB04810	5C-aglycone	C16H16O4	272.104858	NA	HMDB2010	NA	NA
+MJ020316	1,2,5,7-Phenanthrenetetrol; 9,10-Dihydro, 2,5-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020317	1,2,5,7-Phenanthrenetetrol; 9,10-Dihydro, 2,7-Di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020318	1,2-Bis(3,4-dihydroxyphenyl)ethylene, 3,3'-Di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020319	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 3'',4''-Methylene ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020320	1-(2,4-Dihydroxyphenyl)-3-(3-hydroxyphenyl)-2-propanol, 2-Ketone, 2'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020321	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 4'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020322	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3,4-Methylene, 3'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020323	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3',3''-Di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020324	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020325	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 5-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020326	10-Hydroxy-2,8-decadiene-4,6-diynoic acid, 10-Angeloyl, Me ester 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020327	2',4',7-Trihydroxyisoflavan; 2'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020328	2',4',7-Trihydroxyisoflavan; 7-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020329	2',7-Dihydroxy-4'-methoxyisoflavan 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020330	2,3,4,5-Phenanthrenetetrol; 9,10-Dihydro, 3,4-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020331	2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 2,3-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020332	2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 2,4-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020333	2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 3,4-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020334	2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 2,5-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020335	2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 3,5-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020336	2,3,5,7-Phenanthrenetetrol; 9,10-Dihydro, 3,7-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020337	2,4,5,6-Phenanthrenetetrol; 9,10-Dihydro, 2,4-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020338	2,4,5,6-Phenanthrenetetrol; 9,10-Dihydro, 2,6-di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020339	2,4,6-Trihydroxy-3-methylbenzophenone; 2,4-Di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020340	2,4,6-Trihydroxy-3-methylbenzophenone; 4,6-Di-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020341	2,4,6-Trihydroxybenzophenone; Tri-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020342	2,5-Dimethoxybenzoic acid; Benzyl ester 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020343	2,6-Dimethoxybenzoic acid; Benzyl ester 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020344	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene, 8-O-Ac 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020345	2-Methylconospermone; O-De-Me 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020346	3',4',7-Trihydroxyflavan, 3'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020347	3',4',7-Trihydroxyflavan, 4'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020348	3',4',7-Trihydroxyflavan, 7-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020349	3',4',7-Trihydroxyisoflavan; 3'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020350	3,9-Dihydroxy-1,3,5,7,9-cadinapentaen-14,2-olide; 3-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020351	3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone; 2-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020352	3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone; 4-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020353	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020354	4',5,7-Trihydroxyflavan, 7-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020355	4',5,7-Trihydroxyflavan, 4'-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020356	4,4',7-Trihydroxyflavan, 4-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020357	5,8-Dihydroxy-2-(4-methyl-3-pentenyl)-1,4-naphthoquinone 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020358	7-Hydroxy-2H-1-benzopyran-2-one; O-(5-Formyl-3-methyl-2-pentenyl)(E-) 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020359	8,9-Dihydroxy-1,3,5,7,9-cadinapentaen-14,2-olide; 9-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020360	8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020361	Allopteroxylin; Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020362	Aloesaponol III, 8-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020363	Angolensin 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020364	Aspergione D; 1,2-Didehydro, 4-Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020365	Bothrioclinin; 7-Methoxy 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020366	Cacalonol; 3-Methoxy 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020367	Conospermone 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020368	Dendranthemenol; Ac 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020369	Echinofuran; 6''-Hydroxy, deacetoxy 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020370	Elecanacin 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020371	Eleutherin 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020372	Gleinene, 3',4'-Didehydro 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020373	Hyperbrasilone 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020374	Hyperolactone D 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020375	Isospatheliachromen; Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020376	Leucocordiachrome H 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020377	Mansonone H; Me ether 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020378	Perilloxin; 2,3-Didehydro 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020379	Pinnaterin; 1''-Aldehyde 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020380	Prechrysophanol, O8-Me 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020381	Trypethelone 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020382	Warburgin 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MJ020383	?-Lapachone; 9-Methoxy 	C16H16O4	272.104859	NA	MeJP	NA	NA
+MetaCyc02443	1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene []	C16H16O4	272.104859	NA	metacyc	NA	NA
+HMDB04810	5C-aglycone	C16H16O4	272.10486	http://www.hmdb.ca/metabolites/HMDB04810	HMDB	NA	NA
+HMDB04810	5C-aglycone	C16H16O4	272.10486	HMDB04810	PFEM_hmdb_metabocards_official	NA	NA
+C04547	1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene	C16H16O4	272.1049	NA	KEGG	NA	NA
+C09014	5-O-Methylalloptaeroxylin	C16H16O4	272.1049	NA	KEGG	NA	NA
+C09644	2',6'-Dihydroxy-4'-methoxydihydrochalcone	C16H16O4	272.1049	NA	KEGG	NA	NA
+C10340	Eleutherin	C16H16O4	272.1049	NA	KEGG	NA	NA
+C10372	9-Methoxy-alpha-lapachone	C16H16O4	272.1049	NA	KEGG	NA	NA
+C10540	Vestitol	C16H16O4	272.1049	NA	KEGG	NA	NA
+C16225	(-)-Vestitol	C16H16O4	272.1049	NA	KEGG	NA	NA
+C18133	Deoxyshikonin	C16H16O4	272.1049	NA	KEGG	NA	NA
+MJ020384	Fumarylcarboxamido-2,3-diaminopropanoylalanine 	C10H16N4O5	272.112069	NA	MeJP	NA	NA
+MJ020385	1-(1-Hydroxy-2-methoxyethyl)-4-methoxy-?-carboline 	C15H16N2O3	272.116092	NA	MeJP	NA	NA
+MJ020386	12-Hydroxy-16-methoxy-11,12,13,14-tetradehydrocamoensine 	C15H16N2O3	272.116092	NA	MeJP	NA	NA
+MJ020387	Camonagrel 	C15H16N2O3	272.116092	NA	MeJP	NA	NA
+MJ020388	Pretomaymycin 	C15H16N2O3	272.116092	NA	MeJP	NA	NA
+MJ020389	Chloriolin A 	C14H21ClO3	272.117922	NA	MeJP	NA	NA
+MJ020390	Napalilactone 	C14H21ClO3	272.117922	NA	MeJP	NA	NA
+MJ020391	Sotalol 	C12H20N2O3S	272.119463	NA	MeJP	NA	NA
+C07309	Sotalol	C12H20N2O3S	272.1195	NA	KEGG	NA	NA
+MJ020392	2,4,6,8-Nonanetetrone; 2,8-Bis(ethylene ketal) 	C13H20O6	272.125988	NA	MeJP	NA	NA
+MJ020393	3,4-Dihydroxy-1,7-dioxaspiro[4.4]nonan-8-one; 4-Hexanoyl 	C13H20O6	272.125988	NA	MeJP	NA	NA
+MJ020394	4-(1,2,3-Trihydroxypropyl)-2(5H)-furanone; 3'-Hexanoyl 	C13H20O6	272.125988	NA	MeJP	NA	NA
+MJ020395	Syringolide 1 	C13H20O6	272.125988	NA	MeJP	NA	NA
+C09240	Sempervirine	C19H16N2	272.1313	NA	KEGG	NA	NA
+MJ020396	Sempervirine 	C19H16N2	272.131348	NA	MeJP	NA	NA
+7572	ACE inhibitor from myosin heavy chain	ITTNP	272.13645	MH2+	Inhouse_peptide	NA	peptide
+MJ020397	2-Amino-4-methyl-4-hexenoic acid, ?-Glutamyl 	C12H20N2O5	272.137221	NA	MeJP	NA	NA
+MJ020398	Euscamine B 	C12H20N2O5	272.137221	NA	MeJP	NA	NA
+7	Myosin	ITTNP	272.1375	MH2+	Inhouse_peptide	NA	peptide
+C09003	2,2-Dimethyl-8-prenylchromene 6-carboxylic acid	C17H20O3	272.1412	NA	KEGG	NA	NA
+C14719	Methallenestrilphenol	C17H20O3	272.1412	NA	KEGG	NA	NA
+C14888	(+)-Methallenestrilphenol	C17H20O3	272.1412	NA	KEGG	NA	NA
+C15153	(-)-Methallenestrilphenol	C17H20O3	272.1412	NA	KEGG	NA	NA
+MJ020399	1,8,13,16-Heptadecatetraene-4,6-diyne-3,11,12-triol 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020400	1,9,14-Pentadecatriene-4,6-diyne-3,8-diol, 8-Ac 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020401	1-(3,5-Dihydroxy-2-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2',5-Di-Me ether 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020402	1-Acetoxydihydroisochromolaenin 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020403	17-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020404	2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020405	2-(5-Phenylpentanoyl)-1,3-cyclohexanedione 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020406	2-Methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-carboxylic acid 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020407	3,5-Dihydroxy-4-(3-hydroxy-3-methylbutyl)biphenyl 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020408	3-Hydroxy-16-oxaestra-1,3,5(10)-trien-17-one 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020409	3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020410	4-Hydroxy-8-pentyl-1-naphthalenecarboxylic acid; Me ether 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020411	Bunaprolast 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020412	Cacalol; Ac 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020413	Cordiachrome A; 2- or 3-Methoxy 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020414	Cordiachrome B; 2- or 3-Methoxy 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020415	Cordiachrome C; 2- or 3-Methoxy 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020416	Furanoeudesma-1,3-dien-15-ol; Ac 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020417	Furocaulerpin 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020418	Inophyllic acid 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020419	Lhotzchromene 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020420	Lindenene; 6?-Acetoxy 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020421	Sargasal II; 1',2'-Dihydro 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020422	Verimol F 	C17H20O3	272.141244	NA	MeJP	NA	NA
+MJ020423	2,3-Dihydro-3,3-dimethyl-1H-pyrrolo[1,2-a]indole-9-alanine 	C16H20N2O2	272.152477	NA	MeJP	NA	NA
+MJ020424	4-(3-Methyl-2-butenyl)tryptophan 	C16H20N2O2	272.152477	NA	MeJP	NA	NA
+MJ020425	Perisoxal 	C16H20N2O2	272.152477	NA	MeJP	NA	NA
+MJ020426	Pseudophrynaminol, ar-Hydroxy, 8,8a-didehydro 	C16H20N2O2	272.152477	NA	MeJP	NA	NA
+MJ020427	Tryptamine; Nb-(3-Methyl-2-oxopentanoyl) 	C16H20N2O2	272.152477	NA	MeJP	NA	NA
+MJ020428	Dimethylallyltryptophan 	C16H20N2O2	272.152477	NA	MeJP	NA	NA
+MetaCyc02444	4-(3-methylbut-2-enyl)-L-tryptophan []	C16H20N2O2	272.152478	NA	metacyc	NA	NA
+C04290	4-(3-Methylbut-2-enyl)-L-tryptophan	C16H20N2O2	272.1525	NA	KEGG	NA	NA
+C06067	Dimethylallyltryptophan	C16H20N2O2	272.1525	NA	KEGG	NA	NA
+C14278	1,1,2-Triphenylpropane	C21H20	272.1565	NA	KEGG	NA	NA
+MJ020429	12,18-Heneicosadiene-1,3,8,10,20-pentayne 	C21H20	272.1565	NA	MeJP	NA	NA
+C15463	(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol	C18H21FO	272.1576	NA	KEGG	NA	NA
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR384	Oestradiol F1	NA	272.168775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR106	Estradiol	C18H24O2	272.1776	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR106	Estradiol	C18H24O2	272.1776	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR106	Estradiol	C18H24O2	272.1776	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR106	Estradiol	C18H24O2	272.1776	Wishlist	Inhousejuil11	NA	NA
+C00951	Estradiol	C18H24O2	272.1776	NA	KEGG	NA	NA
+C00952	Fibrinopeptide A	C18H24O2	272.1776	NA	KEGG	NA	NA
+C00953	Immunoglobulin A	C18H24O2	272.1776	NA	KEGG	NA	NA
+C02537	Estradiol-17alpha	C18H24O2	272.1776	NA	KEGG	NA	NA
+C14500	19-Norandrostenedione	C18H24O2	272.1776	NA	KEGG	NA	NA
+C15129	Estra-1,3,5(10)-triene-2,17beta-diol	C18H24O2	272.1776	NA	KEGG	NA	NA
+C15261	Estra-1,3,5(10)-triene-3,16beta-diol	C18H24O2	272.1776	NA	KEGG	NA	NA
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	HMDB	NA	NA
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	Inhouse_PFEM	NA	NA
+MJ020430	Estradiol-17beta 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020431	12-Hydroxy-13-methyl-8,11,13-podocarpatrien-3-one; ent-form 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020432	12-Hydroxy-13-methyl-8,11,13-podocarpatrien-7-one 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020433	13,17-Octadecadiene-9,11-diynoic acid 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020434	3-(2-Hydroxy-4,8-dimethyl-3,7-nonadienyl)benzaldehyde 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020435	4-Hydroxy-3,5-diprenylacetophenone 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020436	6,8,12,14-Hexadecatetraen-10-yn-1-ol, Ac 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020437	7,20-Epoxy-13-methyl-8,11,13-podocarpatrien-12-ol 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020438	8,10,12-Octadecatriynoic acid 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020439	Bakuchiol, 12,13-Epoxide 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020440	Bakuchiol, 3-Hydroxy 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020441	Bakuchiol, ?11-Isomer, 13-hydroxy 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020442	Bakuchiol, ?13-Isomer, 12-hydroxy 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020443	Estra-1,3,5(10)-triene-3,17-diol; 17?-form 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020444	Estra-1,3,5(10)-triene-3,17-diol; 17?-form 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020445	Heudelotinone; 1,2-Dihydro, 3?-alcohol 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MJ020446	Przewalskin 	C18H24O2	272.17763	NA	MeJP	NA	NA
+MetaCyc02445	estradiol-17&beta; [estradiol;&beta;-Estradiol;]	C18H24O2	272.17763	50-28-2	metacyc	NA	NA
+MetaCyc02446	estradiol-17&alpha; [17&alpha;-Estradiol;]	C18H24O2	272.17763	57-91-0	metacyc	NA	NA
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR106	Estradiol	C18H24O2	272.17763	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00429	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00151	Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00151	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00429	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00429	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00429	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00151	Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00151	HMDB	NA	NA
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00429	HMDB	NA	NA
+HMDB00151	Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00151	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	http://www.hmdb.ca/metabolites/HMDB00429	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00151	Estradiol	C18H24O2	272.17764	HMDB00151	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00429	17a-Estradiol	C18H24O2	272.17764	HMDB00429	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00151	Estradiol	C18H24O2	272.177643	NA	HMDB2010	NA	NA
+HMDB00429	17a-Estradiol	C18H24O2	272.177643	NA	HMDB2010	NA	NA
+CJpos0674	Heptenoylcarnitine isomer [(M+H)]+ (13C)	C1313CH26NO4	272.181175	C18rt(min)=6.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0675	Heptenoylcarnitine isomer [(M+H)]+ (13C)	C1313CH26NO4	272.181175	C18rt(min)=6.85 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0674	Heptenoylcarnitine isomer [(M+H)]+ (13C)	C1313CH26NO4	272.181175	C18rt(min)=6.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0675	Heptenoylcarnitine isomer [(M+H)]+ (13C)	C1313CH26NO4	272.181175	C18rt(min)=6.85 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ020447	?-Obscurine; Natural-form 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020448	Borbonicine 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020449	Homothermopsine 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020450	Isoobscurinine 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020451	Obscurinine 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020452	Pilsicainide 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020453	Pseudophrynaminol, N8-Me 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+MJ020454	Quinisocaine 	C17H24N2O	272.188863	NA	MeJP	NA	NA
+C09890	beta-Obscurine	C17H24N2O	272.1889	NA	KEGG	NA	NA
+MJ020455	1,2,4,11-Eudesmanetetrol 	C15H28O4	272.198759	NA	MeJP	NA	NA
+MJ020456	1,4,6,15-Eudesmanetetrol 	C15H28O4	272.198759	NA	MeJP	NA	NA
+MJ020457	3,4,6,11-Eudesmanetetrol 	C15H28O4	272.198759	NA	MeJP	NA	NA
+MJ020458	7(14)-Bisabolene-2,3,10,11-tetrol 	C15H28O4	272.198759	NA	MeJP	NA	NA
+HMDB11684	N(6)-(Octanoyl)lysine	C14H28N2O3	272.209991	NA	HMDB2010	NA	NA
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR462	Dehydrotestosterone glucuronide F7	NA	272.211375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR462	Dehydrotestosterone glucuronide F7	NA	272.211375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR462	Dehydrotestosterone glucuronide F7	NA	272.211375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR462	Déhydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR462	Dehydrotestosterone glucuronide F7	NA	272.211375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR462	Dehydrotestosterone glucuronide F7	F7	272.211375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0676	Androsterone glucuronide [(M+H)-(C6H8O6)-(H2O)]+	C19H29O	272.213475	C18rt(min)=8.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0676	Androsterone glucuronide [(M+H)-(C6H8O6)-(H2O)]+	C19H29O	272.213475	C18rt(min)=8.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00619	3-Oxo-delta4-steroid	C19H28O	272.214	NA	KEGG	NA	NA
+C01034	3-Oxo-delta5-steroid	C19H28O	272.214	NA	KEGG	NA	NA
+C02941	3-Oxo-delta1-steroid	C19H28O	272.214	NA	KEGG	NA	NA
+MJ020459	18-Nor-8,11,13-abietatrien-4-ol 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020460	19-Nor-7,15-isopimaradien-3-one 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020461	19-Nor-8(14),15-isopimaradien-3-one 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020462	19-Nor-8(14),15-pimaradien-3-one 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020463	19-Norloba-8,10,13(15),16-tetraen-18-one 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020464	4,19-Epoxy-18-nor-16-kaurene 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020465	6-(3-Hydroxy-3-methyl-4-pentenyl)-1,1,5-trimethyltetralin 	C19H28O	272.214015	NA	MeJP	NA	NA
+MJ020466	Androst-16-en-3-one; 5?-form 	C19H28O	272.214015	NA	MeJP	NA	NA
+HMDB06046	5a-Androst-3-en-17-one 	C19H28O	272.21402	http://www.hmdb.ca/metabolites/HMDB06046	HMDB	NA	NA
+HMDB06046	5a-Androst-3-en-17-one 	C19H28O	272.21402	HMDB06046	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06046	5a-Androst-3-en-17-one	C19H28O	272.21402	NA	HMDB2010	NA	NA
+MJ020467	16-Fluoro-9-hexadecenoic acid 	C16H29FO2	272.215158	NA	MeJP	NA	NA
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR454	Androsterone glucuronide F5	NA	272.215475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR454	Androsterone glucuronide F5	NA	272.215475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR454	Androsterone glucuronide F5	NA	272.215475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR454	Androstérone glucuronide F5	F5	272.215475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR454	Androsterone glucuronide F5	NA	272.215475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR454	Androsterone glucuronide F5	F5	272.215475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ020468	Phascolosomine 	C13H28N4O2	272.221226	NA	MeJP	NA	NA
+MJ020469	Aloperine; N-(2-Propenyl) 	C18H28N2	272.225248	NA	MeJP	NA	NA
+HMDB10734	(R)-3-Hydroxy-hexadecanoic acid	C16H32O3	272.235138	NA	HMDB2010	NA	NA
+MJ020470	11-Hydroxyhexadecanoic acid 	C16H32O3	272.235144	NA	MeJP	NA	NA
+MJ020471	16-Hydroxyhexadecanoic acid 	C16H32O3	272.235144	NA	MeJP	NA	NA
+MJ020472	2-Hydroxyhexadecanoic acid 	C16H32O3	272.235144	NA	MeJP	NA	NA
+MJ020473	3-Hydroxyhexadecanoic acid 	C16H32O3	272.235144	NA	MeJP	NA	NA
+MJ020474	8-Hydroxyhexadecanoic acid 	C16H32O3	272.235144	NA	MeJP	NA	NA
+MJ020475	9-Hydroxypentadecanoic acid; Me ether 	C16H32O3	272.235144	NA	MeJP	NA	NA
+MetaCyc02447	16-hydroxypalmitate []	C16H32O3	272.235145	NA	metacyc	NA	NA
+MJ020476	Dibutoline(1+) 	C15H33N2O2(+)	272.246378	NA	MeJP	NA	NA
+C01414	Casbene	C20H32	272.2504	NA	KEGG	NA	NA
+C06086	Pimaradiene	C20H32	272.2504	NA	KEGG	NA	NA
+C06090	ent-Kaurene	C20H32	272.2504	NA	KEGG	NA	NA
+C09140	Neocembrene	C20H32	272.2504	NA	KEGG	NA	NA
+C11877	(+)-Sandaracopimaradiene	C20H32	272.2504	NA	KEGG	NA	NA
+C11878	(-)-Abietadiene	C20H32	272.2504	NA	KEGG	NA	NA
+C11879	Levopimaradiene	C20H32	272.2504	NA	KEGG	NA	NA
+C11880	Neoabietadiene	C20H32	272.2504	NA	KEGG	NA	NA
+C11881	Palustradiene	C20H32	272.2504	NA	KEGG	NA	NA
+C11891	Aphidicol-16-ene	C20H32	272.2504	NA	KEGG	NA	NA
+C11892	Aphidicol-15-ene	C20H32	272.2504	NA	KEGG	NA	NA
+C11893	Cembrene	C20H32	272.2504	NA	KEGG	NA	NA
+C11894	Taxa-4(5),11(12)-diene	C20H32	272.2504	NA	KEGG	NA	NA
+MJ020477	ent-Kaurene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020478	1,3(20),6,10,14-Phytapentaene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020479	1,3,7,11-Cembratetraene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020480	1,5-Dimethyl-8-(5-methyl-1-methylene-4-hexenyl)-1,5-cyclodecadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020481	10(14),17-Cneorubadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020482	12,18-Cyathadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020483	13(15),17-Spatadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020484	13(17),15-Cleistanthadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020485	15-Atisene; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020486	15-Beyerene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020487	15-Devadarene; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020488	15-Kaurene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020489	15-Phyllocladene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020490	16-Atisene; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020491	16-Kaurene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020492	16-Phyllocladene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020493	2,10(14)-Fusicoccadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020494	2,13-Valparadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020495	2,15-Valparadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020496	2,4(18),7,11-Cembratetraene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020497	2,4,7,11-Cembratetraene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020498	3,13(16),14-Clerodatriene; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020499	3,7,11,15-Cembratetraene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020500	3,7,11-Dolabellatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020501	3,7,12(18)-Dolabellatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020502	3,7,18-Dolabellatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020503	4(18),15-Erythroxyladiene; 13?-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020504	4,10(19),15-Bifloratriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020505	4,9,15-Bifloratriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020506	5,15-Rosadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020507	5,9-Dimethyl-1-phenyl-5-vinyldecane 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020508	5,9-Dimethyl-5-vinyl-1-phenyldecane 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020509	6,11-Sphaerodiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020510	7(17),10(14)-Fusicoccadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020511	7,11,13-Labdatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020512	7,11-Sphaerodiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020513	7,12,14-Labdatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020514	7,13-Abietadiene; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020515	7,15-Isopimaradiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020516	8(14),15-Isopimaradiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020517	8(14),15-Pimaradiene; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020518	8(17),11,13-Labdatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020519	8(17),12,14-Labdatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020520	8(17),13(16),14-Labdatriene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020521	8,10,13(15),18-Lobatetraene; 13(15)E-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020522	8,13-Abietadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020523	9-Geranyl-?-terpinene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020524	?-Camphorene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020525	Antibiotic Sch 49026 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020526	Casbene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020527	Cneorubin Y 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020528	Cubitene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020529	Cubugene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020530	Dictytriene A 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020531	Flexibilene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020532	Laurenene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020533	Trachylobane; ent-form 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020534	Traversiadiene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020535	Trixagoene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020536	Waihoensene 	C20H32	272.250401	NA	MeJP	NA	NA
+MJ020537	?-Camphorene 	C20H32	272.250401	NA	MeJP	NA	NA
+MetaCyc02448	taxa-4,11-diene []	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02449	casbene []	C20H32	272.250401	24286-51-9	metacyc	NA	NA
+MetaCyc02450	(-)-abietadiene [abietadiene;7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene;]	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02451	ent-kaur-16-ene [ent-kaurene;]	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02452	ent-pimara-8(14),15-diene []	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02453	9&beta;-pimara-7,15-diene []	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02454	ent-sandaracopimaradiene []	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02455	stemar-13-ene []	C20H32	272.250401	NA	metacyc	NA	NA
+MetaCyc02456	ent-cassa-12,15-diene []	C20H32	272.250401	NA	metacyc	NA	NA
+MJ020538	1,17-Heptadecanediol 	C17H36O2	272.27153	NA	MeJP	NA	NA
+3371	ACE inhibitor from b-CN	AVPYP	272.636	MH2+	Inhouse_peptide	NA	peptide
+MJ020539	3,6-Dibromo-1H-indole 	C8H5Br2N	272.878874	NA	MeJP	NA	NA
+MJ020540	4,6-Dibromo-1H-indole 	C8H5Br2N	272.878874	NA	MeJP	NA	NA
+MJ020541	Loreclezole 	C10H6Cl3N3	272.96273	NA	MeJP	NA	NA
+MJ020542	Furazolium(1+); Chloride 	C9H8ClN3O3S	272.997489	NA	MeJP	NA	NA
+MJ020543	3-Methylarsacetin 	C9H12AsNO4	272.998229	NA	MeJP	NA	NA
+MJ020544	Stepronin 	C10H11NO4S2	273.012949	NA	MeJP	NA	NA
+MJ020545	Oxapropanium(1+); Iodide 	C7H16INO2	273.022572	NA	MeJP	NA	NA
+MJ020546	Chlormezanone 	C11H12ClNO3S	273.022641	NA	MeJP	NA	NA
+MJ020547	Deoxyrubroflavin; 3-S-Oxide (S-) 	C9H11N3O3S2	273.024182	NA	MeJP	NA	NA
+MJ020548	Brolamfetamine 	C11H16BrNO2	273.036441	NA	MeJP	NA	NA
+MJ020549	1,4-Dihydro-6-(1H-imidazol-1-yl)-7-nitro-2,3-quinoxalinedione 	C11H7N5O4	273.049803	NA	MeJP	NA	NA
+MJ020550	Microxine 	C8H11N5O4S	273.053174	NA	MeJP	NA	NA
+MJ020551	Carprofen 	C15H12ClNO2	273.055656	NA	MeJP	NA	NA
+MJ020552	5-Amino-3-(4-methoxyphenyl)-7H-thiazolo[3,2-a]pyrimidin-7-one 	C13H11N3O2S	273.057197	NA	MeJP	NA	NA
+MJ020553	Antibiotic SF 2738D; S-Oxide 	C13H11N3O2S	273.057197	NA	MeJP	NA	NA
+MetaCyc02457	dinitro-L-tyrosine [3,5-dinitro-L-tyrosine;3,5-dinitrotyrosine;]	C9H11N3O7	273.0597	17360-11-11	metacyc	NA	NA
+CJneg0490	Cinnamoylglycine [(M-H)+(HCOONa)]-	C12H11NNaO5	273.061825	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0490	Cinnamoylglycine [(M-H)+(HCOONa)]-	C12H11NNaO5	273.061825	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ020554	Adefovir 	C8H12N5O4P	273.06269	NA	MeJP	NA	NA
+C11277	Adefovir	C8H12N5O4P	273.0627	NA	KEGG	NA	NA
+C07949	Tolcapone	C14H11NO5	273.0637	NA	KEGG	NA	NA
+C07950	Transferred to D00787	C14H11NO5	273.0637	NA	KEGG	NA	NA
+C07951	Transferred to D00788	C14H11NO5	273.0637	NA	KEGG	NA	NA
+C10678	Flindersiamine	C14H11NO5	273.0637	NA	KEGG	NA	NA
+MJ020555	2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxybenzoyl) 	C14H11NO5	273.063722	NA	MeJP	NA	NA
+MJ020556	2-Benzamidobenzoic acid; 2',4'-Dihydroxy 	C14H11NO5	273.063722	NA	MeJP	NA	NA
+MJ020557	2-Benzamidobenzoic acid; 2',4-Dihydroxy 	C14H11NO5	273.063722	NA	MeJP	NA	NA
+MJ020558	3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone 	C14H11NO5	273.063722	NA	MeJP	NA	NA
+MJ020559	Furo[2,3-b]quinoline-4,6,7,8-tetrol; NH-form, 6,7-Methylene, 8-Me ether, N-Me 	C14H11NO5	273.063722	NA	MeJP	NA	NA
+MJ020560	Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, 6,7-Methylene, 4,8-di-Me ether 	C14H11NO5	273.063722	NA	MeJP	NA	NA
+MJ020561	Bamaluzole 	C14H12ClN3O	273.066889	NA	MeJP	NA	NA
+MJ020562	Tosulur 	C11H15NO5S	273.067093	NA	MeJP	NA	NA
+MetaCyc02458	tetcyclacis []	C13H12N5CL1	273.078123	NA	metacyc	NA	NA
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR230	Acide sialique F4	NA	273.079475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR230	Acide sialique F4	NA	273.079475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR230	Acide sialique F4	NA	273.079475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR230	Acide sialique F4	NA	273.079475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR230	Sialic acid F4	F4	273.079475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ020563	Modafinil 	C15H15NO2S	273.082349	NA	MeJP	NA	NA
+C10849	Brugine	C12H19NO2S2	273.0857	NA	KEGG	NA	NA
+MJ020564	Brugine 	C12H19NO2S2	273.08572	NA	MeJP	NA	NA
+HMDB00667	L-Thyronine	C15H15NO4	273.100098	NA	HMDB2010	NA	NA
+HMDB00667	L-Thyronine	C15H15NO4	273.1001	http://www.hmdb.ca/metabolites/HMDB00667	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00667	L-Thyronine	C15H15NO4	273.1001	http://www.hmdb.ca/metabolites/HMDB00667	HMDB	NA	NA
+C15089	1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid	C15H15NO4	273.1001	NA	KEGG	NA	NA
+HMDB00667	L-Thyronine	C15H15NO4	273.1001	http://www.hmdb.ca/metabolites/HMDB00667	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00667	L-Thyronine	C15H15NO4	273.1001	HMDB00667	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00667	L-Thyronine	C15H15NO4	273.1001	NA  ;SYN:3-Nitrotyrosine; 5-Nitrotyrosine; m-NitrotyrosineH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+MJ020565	Flindersine; 6-Methoxy, 8-hydroxy 	C15H15NO4	273.100107	NA	MeJP	NA	NA
+MJ020566	Furo[2,3-b]quinoline-4,7,8-triol; NH-form, 7,8-Di-Me ether, N-Et 	C15H15NO4	273.100107	NA	MeJP	NA	NA
+MJ020567	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4-Et, 7,8-di-Me ether 	C15H15NO4	273.100107	NA	MeJP	NA	NA
+MJ020568	Pyrenoline A 	C15H15NO4	273.100107	NA	MeJP	NA	NA
+MJ020569	Schumagnine 	C15H15NO4	273.100107	NA	MeJP	NA	NA
+MJ020570	Zelandopam 	C15H15NO4	273.100107	NA	MeJP	NA	NA
+7871	peptide from soybean protein isolate: b-conglycinin	TTYY	273.11	MH2+	Inhouse_peptide	NA	peptide
+MJ020571	Ergothioneine; S-(2-Hydroxyethyl) 	C11H19N3O3S	273.114712	NA	MeJP	NA	NA
+MJ020572	Otanthusic acid, Piperidide 	C16H19NOS	273.118734	NA	MeJP	NA	NA
+HMDB13129	Glutaconylcarnitine	C12H19NO6	273.121246	NA	HMDB2010	NA	NA
+MJ020573	Fasiplon 	C13H15N5O2	273.122574	NA	MeJP	NA	NA
+C11565	8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene	C18H15N3	273.1266	NA	KEGG	NA	NA
+8080	synthetic peptide	RWW	273.1295	MH2+	Inhouse_peptide	NA	peptide
+3274	NA	VTRGD	273.13195	MH2+	Inhouse_peptide	NA	peptide
+PJ000135	GPT 	C11H19N3O5	273.1325	NA	PeJP	NA	NA
+MJ020574	Oxaflozane 	C14H18F3NO	273.134048	NA	MeJP	NA	NA
+MJ020575	1-[5-(3,4-Methylenedioxyphenyl)-2-pentenoyl]pyrrolidine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020576	2,4,8-Quinolinetriol; NH-form, 8-O-(3-Methyl-2-butenyl), O4,N-di-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020577	2,4,8-Trihydroxy-3-prenylquinoline; 4,8-Di-Me ether 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020578	2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O4,N-Di-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020579	2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O8,N-Di-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020580	2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-pentanone; O-Ac 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020581	?-Erythroidine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020582	Balfourodine, 1'-Deoxy 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020583	Belladine; 3',4'',N-Tri-de-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020584	Edulinine, 3'-Deoxy, 2'-ketone 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020585	Edulinine, 3'-Deoxy, 3',4'-didehydro 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020586	Elwesine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020587	Galanthamine, 3-Epimer, N-de-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020588	Galanthamine, N-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020589	Glycocitlone A 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020590	Glycolone 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020591	Isoladol 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020592	Isoplatydesmine, Me ether 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020593	Leucojum Base D 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020594	Maritidine, 3-Epimer, O8-de-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020595	Maritidine, O8-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020596	Maritidine, O9-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020597	Maritidine, O8-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020598	Mesembrenone, O4'-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020599	Ornazidine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020600	Piperlonguminine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020601	Pluviine; 16-Epimer, O9-de-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020602	Pluviine; O10-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020603	Pluviine; O9-De-Me 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020604	Prodolic acid 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020605	Sanguinine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020606	?-Erythroidine 	C16H19NO3	273.136493	NA	MeJP	NA	NA
+MJ020607	2-Methyl-1,4-naphthalenediol; 1-(Trimethylammonioacetyl) 	C16H20NO3(+)	273.136493	NA	MeJP	NA	NA
+MJ020608	Platydesmine, N-Me 	C16H20NO3(+)	273.136493	NA	MeJP	NA	NA
+C06531	alpha-Erythroidine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+C06532	beta-Erythroidine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+C10711	Lunacrine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+C12173	Norgalanthamine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+C12180	(-)-8-Demethylmaritidine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+C12232	Sanguinine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+C16702	4'-O-Methylnorbelladine	C16H19NO3	273.1365	NA	KEGG	NA	NA
+4011	LDT 2, beta-chain	ALCSEK	273.1445	MH2+	Inhouse_peptide	NA	peptide
+C18056	N-Desmethylzolmitriptan	C15H19N3O2	273.1477	NA	KEGG	NA	NA
+C18058	1D-myo-Inositol bisdiphosphate tetrakisphosphate	C15H19N3O2	273.1477	NA	KEGG	NA	NA
+MJ020609	Ipanguline D3 	C13H23NO5	273.157622	NA	MeJP	NA	NA
+3539	ACE inhibitor from alpha-zein	LAA	273.158	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ020610	Mopidralazine 	C14H19N5O	273.15896	NA	MeJP	NA	NA
+PJ000136	AAL 	C12H23N3O4	273.1689	NA	PeJP	NA	NA
+7628	ACE inhibitor from k-CN (fr, 67-68)	VR	273.169	antioxidative	Inhouse_peptide	NA	peptide
+MJ020611	(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(2-Methylpropanoyl) 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020612	2-Benzyl-3-tropanol, Ac 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020613	2-Hexyl-8-methoxy-1-methyl-4(1H)-quinolinone 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020614	Indolizomycin 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020615	Joubertiamine, Me ether 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020616	Lorneamide A 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020617	Magellanine; Ketone 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020618	Piperovatine 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020619	Pyo II 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020620	Sedinine; 8-Ketone 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020621	Tilidine 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020622	Tropanserin 	C17H23NO2	273.172878	NA	MeJP	NA	NA
+MJ020623	N2-Valylarginine; L-L-form 	C11H23N5O3	273.180089	NA	MeJP	NA	NA
+PJ000137	VR 	C11H23N5O3	273.1801	NA	PeJP	NA	NA
+HMDB13238	Heptanoylcarnitine	C14H27NO4	273.194	NA	HMDB2010	NA	NA
+MJ020624	Fragin 	C13H27N3O3	273.205241	NA	MeJP	NA	NA
+MJ020625	2,3,5,6,7,8-Hexahydro-N,N-dipropylnaphtho[2,3-b]furan-7-amine 	C18H27NO	273.209264	NA	MeJP	NA	NA
+MJ020626	2,4,10-Tetradecatrien-8-ynoic acid, N-(2-Methylpropyl)amide 	C18H27NO	273.209264	NA	MeJP	NA	NA
+MJ020627	2,4,8,10,12-Tetradecapentaenoic acid, 2-Methylpropylamide 	C18H27NO	273.209264	NA	MeJP	NA	NA
+MJ020628	2,4,8,11-Tetradecatetraenoic acid, Pyrrolidide 	C18H27NO	273.209264	NA	MeJP	NA	NA
+MJ020629	2,4-Tetradecadien-8-ynoic acid, Pyrrolidide 	C18H27NO	273.209264	NA	MeJP	NA	NA
+C13915	Hexadecasphinganine	C16H35NO2	273.2668	NA	KEGG	NA	NA
+MJ020630	Canavalmine; N'-(3-Aminopropyl) 	C14H35N5	273.289246	NA	MeJP	NA	NA
+3376	NA	DFVAP	273.62595	MH2+	Inhouse_peptide	NA	peptide
+8189	peptide from buckwheat	VFPW	273.6335	MH2+	Inhouse_peptide	NA	peptide
+2710	erythromycin inhibitor	MTIAI	273.6462	MH2+	Inhouse_peptide	NA	peptide
+3540	ACE inhibitor	IYPR	273.65	MH2+	Inhouse_peptide	NA	peptide
+MJ020631	2,3,5,6-Tetrachloro-1,4-benzenediol; Di-Me ether 	C8H6Cl4O2	273.91219	NA	MeJP	NA	NA
+C04264	S-(4-Bromophenyl)-mercaptopyruvate	C9H7BrO3S	273.9299	NA	KEGG	NA	NA
+HMDB12285	Ribose-1-arsenate	C5H11AsO8	273.96698	NA	HMDB2010	NA	NA
+MetaCyc02459	ribose-1-arsenate []	C5H11O8AS1	273.966989	NA	metacyc	NA	NA
+MJ020632	3-Chloro-4-(3-chloro-4-fluoro-2-nitrophenyl)pyrrole 	C10H5Cl2FN2O2	273.971211	NA	MeJP	NA	NA
+MJ020633	Lachnumol A; 1'-Bromo analogue, 6-dechloro, 1-ketone 	C10H11BrO4	273.984071	NA	MeJP	NA	NA
+MJ020634	1,2,4-Trichloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane 	C10H14Cl4	273.984961	NA	MeJP	NA	NA
+MJ020635	N-(Carbamoylmethyl)arsanilic acid 	C8H11AsN2O4	273.993478	NA	MeJP	NA	NA
+C03126	L-Iduronate 2-sulfate	C6H10O10S	273.9995	NA	KEGG	NA	NA
+C03127	L-Isoleucyl-tRNA(Ile)	C21H32N6O11PR	273.9995	NA	KEGG	NA	NA
+C03129	Long-chain acid anion	C3H4O2R	273.9995	NA	KEGG	NA	NA
+C03130	Lower primary alcohol	HOR	273.9995	NA	KEGG	NA	NA
+C07644	4-Ketocyclophosphamide	C7H13Cl2N2O3P	274.0041	NA	KEGG	NA	NA
+C16554	4-Ketoifosfamide	C7H13Cl2N2O3P	274.0041	NA	KEGG	NA	NA
+HMDB03976	D-Glucuronic acid 1-phosphate	C6H11O10P	274.00897	http://www.hmdb.ca/metabolites/HMDB03976	HMDB	NA	NA
+HMDB03976	D-Glucuronic acid 1-phosphate	C6H11O10P	274.00897	HMDB03976	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03976	D-Glucuronic acid 1-phosphate	C6H11O10P	274.008972	NA	HMDB2010	NA	NA
+MJ020636	1-Phospho-alpha-D-galacturonate 	C6H11O10P	274.008983	NA	MeJP	NA	NA
+MJ020637	6-Phospho-2-dehydro-D-gluconate 	C6H11O10P	274.008983	NA	MeJP	NA	NA
+MetaCyc02460	&alpha;-D-glucuronate 1-phosphate [glucuronate-1-P;glucuronate-1-phosphate;D-glucuronate-1-P;D-glucuronate-1-phosphate;1-phospho-&alpha;-D-glucuronate;]	C6H11O10P1	274.008983	583-08-4	metacyc	NA	NA
+MetaCyc02461	&alpha;-D-galacturonate 1-phosphate [1-phospho-&alpha;-D-galacturonate;D-galacturonate-1-P;galacturonate-1-phosphate;galacturonate-1-P;D-galacturonate 1-phosphate;]	C6H11O10P1	274.008983	NA	metacyc	NA	NA
+MetaCyc02462	6-phospho-2-dehydro-D-gluconate [2-Dehydro-D-gluconate 6-phosphate;]	C6H11O10P1	274.008983	NA	metacyc	NA	NA
+MetaCyc02463	3-keto-L-gulonate 6-phosphate [3-keto-L-gulonate 6-P;3-keto-L-gulonate-6-phosphate;3-dehydro-L-gulonate-6-phosphate;]	C6H11O10P1	274.008983	NA	metacyc	NA	NA
+C01218	6-Phospho-2-dehydro-D-gluconate	C6H11O10P	274.009	NA	KEGG	NA	NA
+C04037	1-Phospho-alpha-D-galacturonate	C6H11O10P	274.009	NA	KEGG	NA	NA
+C05385	D-Glucuronate 1-phosphate	C6H11O10P	274.009	NA	KEGG	NA	NA
+C14899	3-Dehydro-L-gulonate 6-phosphate	C6H11O10P	274.009	NA	KEGG	NA	NA
+MJ020638	6-Bromo-1-ethyl-?-carboline 	C13H11BrN2	274.010561	NA	MeJP	NA	NA
+MJ020639	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, 3'-sulfate 	C10H10O7S	274.014723	NA	MeJP	NA	NA
+MJ020640	7-Chloro-2,3,4a,7,8,8a-hexahydro-8-hydroxy-3-methylene-2-oxo-1,4-benzodioxin-6-carboxylic acid; Me ester 	C11H11ClO6	274.024415	NA	MeJP	NA	NA
+MJ020641	2,2'-Thiobis[7-hydroxy-2,4,6-cycloheptatrien-1-one] 	C14H10O4S	274.029979	NA	MeJP	NA	NA
+FL1B99NSH001	4'-Chloro-2-hydroxyaurone	C15H11ClO3	274.03967	329763-01-1	knapsack	NA	NA
+MJ020642	2-(4-Chlorobenzyl)-2-hydroxy-3(2H)-benzofuranone 	C15H11ClO3	274.039671	NA	MeJP	NA	NA
+MJ020643	Furcloprofen 	C15H11ClO3	274.039671	NA	MeJP	NA	NA
+MJ020644	2-Phenyl-1H-benzimidazole-5-sulfonic acid 	C13H10N2O3S	274.041212	NA	MeJP	NA	NA
+MetaCyc02464	1-deoxy-D-altro-heptulose-7-phosphate []	C7H15O9P1	274.045369	NA	metacyc	NA	NA
+C04359	1-Deoxy-D-altro-heptulose 7-phosphate	C7H15O9P	274.0454	NA	KEGG	NA	NA
+C10052	Athyriol	C14H10O6	274.0477	NA	KEGG	NA	NA
+C10053	Bellidifolin	C14H10O6	274.0477	NA	KEGG	NA	NA
+C10069	Isoathyriol	C14H10O6	274.0477	NA	KEGG	NA	NA
+C10092	Swertianin	C14H10O6	274.0477	NA	KEGG	NA	NA
+C15218	2,2',4,4'-Tetrahydroxybenzil	C14H10O6	274.0477	NA	KEGG	NA	NA
+MJ020645	1,2,3,5-Tetrahydroxyxanthone; 2-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020646	1,2,3,5-Tetrahydroxyxanthone; 5-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020647	1,2,3,7-Tetrahydroxyxanthone; 2-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020648	1,2,3,8-Tetrahydroxyxanthone; 2-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020649	1,2,3,8-Tetrahydroxyxanthone; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020650	1,2,4,5-Tetrahydroxyxanthone; 1-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020651	1,2,5,8-Tetrahydroxyxanthone; 1-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020652	1,2,6,8-Tetrahydroxyxanthone; 1-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020653	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020654	1,2-Bis(2,4-dihydroxyphenyl)ethanedione 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020655	1,3,4,7-Tetrahydroxyxanthone; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020656	1,3,5,6-Tetrahydroxyxanthone; 1-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020657	1,3,5,6-Tetrahydroxyxanthone; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020658	1,3,5,6-Tetrahydroxyxanthone; 5-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020659	1,3,5,6-Tetrahydroxyxanthone; 6-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020660	1,3,5,7-Tetrahydroxyxanthone; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020661	1,3,5,8-Tetrahydroxyxanthone; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020662	1,3,5,8-Tetrahydroxyxanthone; 5-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020663	1,3,6,7-Tetrahydroxyxanthone; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020664	1,3,6,7-Tetrahydroxyxanthone; 6-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020665	1,3,6,7-Tetrahydroxyxanthone; 7-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020666	1,5,6,7-Tetrahydroxyxanthone; 7-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020667	2,3,7,9-Tetrahydroxy-6H-dibenzo[b,d]pyran-6-one; 3-Me ether 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020668	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 5-Hydroxy, 1'?-alcohol 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020669	3,4,6,8-Tetrahydroxy-1-methylxanthone 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020670	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 1'-Hydroxy 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020671	5,8,10-Trihydroxy-2-methyl-2H-naphtho[2,3-b]pyran-6,9-dione 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020672	Anhydrofusarubin; O-De-Me 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020673	Dehydroaltenusin; O-De-Me 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020674	Dumortin A 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020675	Juglomycin A 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020676	Phenicin 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020677	Simonyellin 	C14H10O6	274.047738	NA	MeJP	NA	NA
+MJ020678	1,1,1-Trichloro-4-hydroxy-11-methyl-3,5,7,9-dodecatetraen-2-one; 1-Dechloro 	C13H16Cl2O2	274.052735	NA	MeJP	NA	NA
+MJ020679	2,5-Hexanediol, Dimethanesulfonate 	C8H18O6S2	274.054479	NA	MeJP	NA	NA
+MJ020680	4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione 	C18H10O3	274.062994	NA	MeJP	NA	NA
+C11188	Neburon	C12H16Cl2N2O	274.064	NA	KEGG	NA	NA
+MJ020681	4'-Fluoro-4-hydroxy-3-biphenylcarboxylic acid; Ac 	C15H11FO4	274.064137	NA	MeJP	NA	NA
+MJ020682	3-Hydroxy-4H-pyran-4-one; O-?-D-Glucopyranoside 	C11H14O8	274.068867	NA	MeJP	NA	NA
+MetaCyc02465	tolcapone [tasmar;3,4-dihydroxy-4'-methyl-5-nitrobenzophenone;Ro 40-7592;]	C14H12N1O5	274.071548	NA	metacyc	NA	NA
+MJ020683	1-Ethyl-4-methylsulfonyl-?-carboline 	C14H14N2O2S	274.077598	NA	MeJP	NA	NA
+MJ020684	5-Hydroxyuridine; 5-O-Me 	C10H14N2O7	274.0801	NA	MeJP	NA	NA
+JH192	Phloretin [M+H]+	C15H14O5	274.0805	17.67	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH192	Phloretin [M+H]+	C15H14O5	274.0805	17.67	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH192	Phloretin [M+H]+	C15H14O5	274.0805	17.67	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH192	Phloretin [M+H]+	C15H14O5	274.0805	17.67	Inhousejuil11	NA	NA
+C00774	Phloretin	C15H14O5	274.0841	NA	KEGG	NA	NA
+C00775	Porphyran	C15H14O5	274.0841	NA	KEGG	NA	NA
+C08929	alpha-Pyrufuran	C15H14O5	274.0841	NA	KEGG	NA	NA
+C08948	beta-Pyrufuran	C15H14O5	274.0841	NA	KEGG	NA	NA
+C09029	Ptaerochromenol	C15H14O5	274.0841	NA	KEGG	NA	NA
+C09320	Afzelechin	C15H14O5	274.0841	NA	KEGG	NA	NA
+C09735	Fisetinidol	C15H14O5	274.0841	NA	KEGG	NA	NA
+C09952	Methysticin	C15H14O5	274.0841	NA	KEGG	NA	NA
+C12122	Luteoliflavan	C15H14O5	274.0841	NA	KEGG	NA	NA
+C12124	Apiforol	C15H14O5	274.0841	NA	KEGG	NA	NA
+C12128	(-)-Epiafzelechin	C15H14O5	274.0841	NA	KEGG	NA	NA
+C13767	H37	C15H14O5	274.0841	NA	KEGG	NA	NA
+C13768	Colistin sulfate	C15H14O5	274.0841	NA	KEGG	NA	NA
+C16415	5-Deoxyleucopelargonidin	C15H14O5	274.0841	NA	KEGG	NA	NA
+HMDB03306	Phloretin	C15H14O5	274.08411	http://www.hmdb.ca/metabolites/HMDB03306	HMDB	NA	NA
+HMDB03306	Phloretin	C15H14O5	274.08411	HMDB03306	PFEM_hmdb_metabocards_official	NA	NA
+FL1DAANS0001	Phloretin	C15H14O5	274.08412	60-82-2	knapsack	NA	NA
+FL1DHXNS0003	4,2',4',alpha-Tetrahydroxydihydrochalcone	C15H14O5	274.08412	88126-55-0	knapsack	NA	NA
+FL631CNS0001	Fisetinidol	C15H14O5	274.08412	490-49-3	knapsack	NA	NA
+FL631CNS0002	ent-Fisetinidol	C15H14O5	274.08412	35079-43-7	knapsack	NA	NA
+FL631CNS0003	ent-Epifisetinidol	C15H14O5	274.08412	895-23-8	knapsack	NA	NA
+FL63AANS0001	Afzelechin	C15H14O5	274.08412	2545-00-8	knapsack	NA	NA
+FL63AANS0002	Epiafzelechin	C15H14O5	274.08412	24808-04-6	knapsack	NA	NA
+FL63AANS0003	ent-Epiafzelechin	C15H14O5	274.08412	36801-69-1	knapsack	NA	NA
+FL64AANS0001	Apiferol;Apiforol;Leucoapigeninidin;(2S)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-4,5,7-triol	C15H14O5	274.08412	55167-29-8	knapsack	NA	NA
+FL6D1ANS0001	Guibourtinidol-4alpha-ol	C15H14O5	274.08412	38412-82-7	knapsack	NA	NA
+FL6D1ANS0002	Epiguibourtinidol-4alpha-ol	C15H14O5	274.08412	87860-90-0	knapsack	NA	NA
+FL6D1ANS0003	Epiguibourtinidol-4beta-ol	C15H14O5	274.08412	113725-62-5	knapsack	NA	NA
+MJ020685	1,10-Epoxy-2,4,11(13)-germacratriene-12,8;14,6-diolide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020686	1,2,3,4-Dibenzofurantetrol; 1,2,4-Tri-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020687	1,2,3,4-Dibenzofurantetrol; 1,3,4-Tri-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020688	1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020689	1-(3,5-Dihydroxyphenyl)-2-(2,3,4-trihydroxyphenyl)ethylene, 3-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020690	1-(3,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 4''-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020691	2,3',4,6-Tetrahydroxybenzophenone; 2,4-Di-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020692	2,3,4,5-Tetrahydroxybenzophenone; 3,4-Di-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020693	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 4-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020694	2,3,4,7-Dibenzofurantetrol; 2,4,7-Tri-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020695	2,3,4,7-Dibenzofurantetrol; 3,4,7-Tri-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020696	2,3,6-Trihydroxybenzoic acid; 2-Me ether, benzyl ester 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020697	2,3-Dihydro-5-hydroxy-8-methoxy-2,4-dimethylnaphtho[1,2-b]furan-6,9-dione 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020698	2-(1-Hydroxy-1-methylethyl)-4-methoxyfuro[3,2-g][1]benzopyran-7-one 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020699	2-Hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020700	3,3',4',7-Tetrahydroxyflavan 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020701	3,3',4,4',5-Biphenylpentol; 3,4-Methylene, 4',5-di-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020702	3,3',4,5,5'-Biphenylpentol; 3,3'-Di-Me, 4,5-methylene ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020703	3,4',5,7-Tetrahydroxyflavan 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020704	3,4,4',5-Tetrahydroxyflavan 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020705	3,4,4',7-Tetrahydroxyflavan 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020706	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020707	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020708	4,4',5,7-Tetrahydroxyflavan 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020709	4,5-Epoxy-1(10),7(11),8-germacratriene-12,8:15,6-diolide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020710	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-O-Isopropyl, 9-Me ether 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020711	4-Methoxy-6-[2-(3,4-methylenedioxyphenyl)ethyl]-2H-pyran-2-one 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020712	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 5-O-(3-methyl-2-butenyl) 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020713	5-Hydroxy-7-methyl-6-(2-oxopropyl)-1,4-naphthoquinone; 3-Methoxy 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020714	6,7-Dimethoxy-5-(3-oxo-1-butenyl)-2H-1-benzopyran-2-one 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020715	7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one; 7-Ketone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020716	7-Hydroxy-2H-1-benzopyran-2-one; O-(3-Methoxycarbonyl-2-butenyl)(E-) 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020717	7-Hydroxy-4-oxo-2,5-heptadienoic acid, O-Benzoyl, Me ester 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020718	7-Methoxy-4,9-dimethyldibenzo[b,e][1,4]dioxin-1,2-diol 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020719	Ageratone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020720	Altholactone; Ac 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020721	Avicequinone A 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020722	Dehydrogeijerin; 2',3'-Epoxide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020723	Epoxypiperolide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020724	Eranthin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020725	Fomajorin D; 13-Carboxylic acid 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020726	Goniothalamin, 5?-Acetoxy, 7S,8R-epoxide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020727	Goniothalamin, 6-Epimer, 5?-acetoxy, 7R,8R-epoxide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020728	Greveichromenol 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020729	Hemigossypolone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020730	Isohemigossypolone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020731	Isotoddalenone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020732	Karenin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020733	Lecanorin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020734	Methysticin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020735	Mikacynancholide 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020736	Miscandenin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020737	Nectriachrysone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020738	Obliquin, 5-Methoxy 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020739	Obliquin, 8-Methoxy 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020740	Obtusin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020741	Panial 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020742	Ptaerochromenol 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020743	Ptaeroxylin; 1'-Hydroxy 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020744	Pyratrione 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020745	Semivioxanthin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020746	Toddalenone 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020747	Umtatin 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020748	Wyerone acid, 11,12-Epoxide, Me ester 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020749	Yangonin; 11-Hydroxy 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020750	Yangonin; 11-Methoxy, 12-O-de-Me 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MJ020751	?-Lapachone; 4S,9-Dihydroxy 	C15H14O5	274.084123	NA	MeJP	NA	NA
+MetaCyc02466	phloretin []	C15H14O5	274.084124	NA	metacyc	NA	NA
+MetaCyc02467	afzelechin []	C15H14O5	274.084124	NA	metacyc	NA	NA
+HMDB03306	Phloretin	C15H14O5	274.084137	NA	HMDB2010	NA	NA
+MJ020752	Diphenylphosphinylacetic acid hydrazide 	C14H15N2O2P	274.087114	NA	MeJP	NA	NA
+MJ020753	Nortetrazepam 	C15H15ClN2O	274.08729	NA	MeJP	NA	NA
+C04663	5-Amino-1-ribofuranosylimidazole-4-carboxyamide	C9H14N4O6	274.0913	NA	KEGG	NA	NA
+MJ020754	Dezinamide; N-Me 	C12H13F3N2O2	274.092912	NA	MeJP	NA	NA
+MJ020755	Caribbazoin B 	C14H14N2O4	274.095356	NA	MeJP	NA	NA
+MJ020756	Zometapine 	C14H15ClN4	274.098524	NA	MeJP	NA	NA
+MJ020757	Xylomollin 	C12H18O7	274.105252	NA	MeJP	NA	NA
+MJ020758	xylo-2-Hexulosonic acid, 2,3:4,6-Di-O-isopropylidene 	C12H18O7	274.105252	NA	MeJP	NA	NA
+MJ020759	Malassezin 	C18H14N2O	274.110613	NA	MeJP	NA	NA
+MJ020760	Pimprinaphine 	C18H14N2O	274.110613	NA	MeJP	NA	NA
+MJ020761	Palythine-serine 	C11H18N2O6	274.116486	NA	MeJP	NA	NA
+C10256	4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene	C16H18O4	274.1205	NA	KEGG	NA	NA
+MJ020762	1,3,7(11),8-Elematetraen-12,8-olid-15-oic acid; Me ester 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020763	1,4-Bis(4-hydroxyphenyl)-2,3-butanediol 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020764	1-(2,3-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; ?-Hydroxy, 3,4'-di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020765	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propanol; 4'-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020766	1-(2-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4'-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020767	1-(2-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',5'-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020768	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3',4-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020769	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3',5'-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020770	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3,3'-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020771	1-(3-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethane; 3,5-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020772	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020773	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,5-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020774	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4'-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020775	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020776	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,5-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020777	1-Phenyl-2-(2,3,4,5-tetrahydroxyphenyl)ethane; 4,5-Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020778	2,3,8-Trihydroxy-4-isopropyl-6-methyl-1-naphthalenecarboxaldehyde; 3-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020779	2,3,9-Trihydroxy-14-cadalenal; 7-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020780	2,3,9-Trihydroxy-14-cadalenal; 8-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020781	2,3-Dihydro-6-methoxy-2,3,3,9-tetramethyl-4H-furo[3,2-c][1]benzopyran-4-one 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020782	2-Hydroxy-8-decene-4,6-diynoic acid, O-Angeloyl, Me ester 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020783	3-(1,1-Dimethyl-2-propenyl)-2-methoxy-5-methyl-4H-1-benzopyran-4-one; 1''-Hydroxy 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020784	3-(1,1-Dimethyl-2-propenyl)-4-hydroxy-8-methoxy-5-methyl-2H-1-benzopyran-2-one 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020785	3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020786	3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-2H-1-benzopyran-2-one; Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020787	4,8-Dihydroxy-5-methyl-3-prenylcoumarin; 8-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020788	5,7-Dihydroxy-8-prenylcoumarin; Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020789	5,8-Dihydroxy-2-(4-methyl-1,3-pentadienyl)-1,4-naphthoquinone; 1',2',3',4'-Tetrahydro 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020790	5-(1-Hydroxyethyl)-7-methoxybenzofuran; O-Angeloyl 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020791	7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, Di-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020792	8,9-Dihydro-9-ethoxy-8-(1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020793	9-Methyllongipesin 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020794	Aspergione D; 4-Deoxy, 2?-methoxy 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020795	Aspergione D; 4-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020796	Cedrelopsin; Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020797	Flourensianol; Ac 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020798	Gleinene 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020799	Heteropeucenin; 7-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020800	Odixia acid 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020801	Ornosol 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020802	Perilloxin 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020803	Peucenin; 7-Me ether 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020804	Pinnarin 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020805	Pinnaterin 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020806	Strobilurin A; 8-Hydroxy 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020807	Toddaculin 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020808	Vallapin 	C16H18O4	274.120509	NA	MeJP	NA	NA
+MJ020809	Chlorphenamine 	C16H19ClN2	274.123676	NA	MeJP	NA	NA
+MJ020810	Tepirindole 	C16H19ClN2	274.123676	NA	MeJP	NA	NA
+HMDB01944	Chlorpheniramine	C16H19ClN2	274.123688	NA	HMDB2010	NA	NA
+HMDB01944	Chlorpheniramine	C16H19ClN2	274.12369	http://www.hmdb.ca/metabolites/HMDB01944	HMDB	NA	NA
+HMDB01944	Chlorpheniramine	C16H19ClN2	274.12369	HMDB01944	PFEM_hmdb_metabocards_official	NA	NA
+C06905	Chlorpheniramine	C16H19ClN2	274.1237	NA	KEGG	NA	NA
+C06946	Dexchlorpheniramine	C16H19ClN2	274.1237	NA	KEGG	NA	NA
+C03296	N2-Succinyl-L-arginine	C10H18N4O5	274.1277	NA	KEGG	NA	NA
+C03297	N3-Acetylgentamicin C	C21H39N5O8	274.1277	NA	KEGG	NA	NA
+PJ000138	QQ 	C10H18N4O5	274.1277	NA	PeJP	NA	NA
+MJ020811	N2-Succinyl-L-arginine 	C10H18N4O5	274.127719	NA	MeJP	NA	NA
+MJ020812	Arginine, N2-(3-Carboxypropanoyl) 	C10H18N4O5	274.127719	NA	MeJP	NA	NA
+MetaCyc02468	N2-succinyl-L-arginine [N2-succinylarginine;]	C10H18N4O5	274.12772	1758-80-1	metacyc	NA	NA
+MetaCyc02469	ala-gly-ala-gly []	C10H18N4O5	274.12772	NA	metacyc	NA	NA
+MJ020813	Terbequinil 	C15H18N2O3	274.131742	NA	MeJP	NA	NA
+MJ020814	Terezine A 	C15H18N2O3	274.131742	NA	MeJP	NA	NA
+MJ020815	Tomaymycin; 11-Demethoxy 	C15H18N2O3	274.131742	NA	MeJP	NA	NA
+MJ020816	Mexafylline 	C14H18N4O2	274.142975	NA	MeJP	NA	NA
+MJ020817	Ormetoprim 	C14H18N4O2	274.142975	NA	MeJP	NA	NA
+MJ020818	11-Isopropyl-5-methyl-5H-indolo[3,2-b]quinoline 	C19H18N2	274.146998	NA	MeJP	NA	NA
+MJ020819	Dihydrogambirtannine, Des(carbomethoxy) 	C19H18N2	274.146998	NA	MeJP	NA	NA
+7680	ACE inhibitor from pea vicilin	QK	274.152	antioxidative	Inhouse_peptide	NA	peptide
+MJ020820	1,2:9,10-Diepoxy-4,6-heptadecadiyn-3-one 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020821	1,8-Pentadecadiene-4,6-diyne-3,10-diol; 10-Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020822	1,9-Pentadecadiene-4,6-diyne-3,8-diol, 8-Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020823	12,13-Dihydroxy-8,11,13-podocarpatrien-7-one 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020824	12-Hydroxy-4-jungistueben-3-one; Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020825	13,14-Dihydroxy-8,11,13-podocarpatrien-7-one 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020826	13-Hydroxy-8,11,13-podocarpatrien-18-oic acid 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020827	2,9-Pentadecadiene-4,6-diyne-1,8-diol, 1-Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020828	2-Alkyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furans; 2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020829	2-Bornanol, O-4-Hydroxybenzoyl 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020830	3,8-Calamenenediol, 8-Ketone, 3-Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020831	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020832	3-Hydroxy-8,15-heptadecadiene-11,13-diynoic acid 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020833	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020834	6-Hydroxy-1(10),7,11-eremophilatrien-9-one, Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020835	6-Hydroxy-7-methoxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020836	6-Methoxy-2-(3,7-dimethyl-2,6-octadienyl)-1,4-benzoquinone 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020837	8,11,13-Podocarpatriene-12,19-diol; 19-Carboxylic acid 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020838	8,12-Epoxy-1(10),4,7,11-germacratetraen-15-ol, Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020839	8,12-Epoxy-1(10),4,7,11-germacratetraen-2-ol, Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020840	Carbestrol 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020841	Furanoeudesm-3-en-1-ol, Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020842	Furanoeudesm-4(15)-en-1-ol, Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020843	Furanoeudesm-4(15)-en-3-ol, Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020844	Furodysin, 8?-Acetoxy 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020845	Furodysin, 8?-Acetoxy 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020846	Furodysinin, 8?-Acetoxy 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020847	Furodysinin, 8?-Acetoxy 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020848	Nakafuran 8; 5?-Acetoxy 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020849	Pterosin Z; Ac 	C17H22O3	274.156894	NA	MeJP	NA	NA
+MJ020850	Shogaol; 1,2-Didehydro 	C17H22O3	274.156894	NA	MeJP	NA	NA
+C09171	Podocarpic acid	C17H22O3	274.1569	NA	KEGG	NA	NA
+C14660	Carbestrol	C17H22O3	274.1569	NA	KEGG	NA	NA
+C18131	Geranyl-hydroxybenzoate	C17H22O3	274.1569	NA	KEGG	NA	NA
+PJ000139	QK 	C11H22N4O4	274.1641	NA	PeJP	NA	NA
+MJ020851	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Diketone, 2',3'-didehydro 	C16H22N2O2	274.168127	NA	MeJP	NA	NA
+MJ020852	2-Hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3-methylpentanamide 	C16H22N2O2	274.168127	NA	MeJP	NA	NA
+MJ020853	Isamoltan 	C16H22N2O2	274.168127	NA	MeJP	NA	NA
+MJ020854	1,2,3,4-Tetrahydro-3,3,7-trimethylchrysene 	C21H22	274.17215	NA	MeJP	NA	NA
+MJ020855	12,18-Heneicosadiene-1,3,8,10,20-pentayne, 3,4-Dihydro (Z-) 	C21H22	274.17215	NA	MeJP	NA	NA
+MJ020856	2,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene 	C21H22	274.17215	NA	MeJP	NA	NA
+MJ020857	3,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene 	C21H22	274.17215	NA	MeJP	NA	NA
+MJ020858	6,17-Dimethyl-18,19-dinorpregna-1,3,5,7,9,11,13-heptaene 	C21H22	274.17215	NA	MeJP	NA	NA
+MJ020859	Des-A-26,27,28-trisnorursa-5,7,9,11,13,15,17-heptaene 	C21H22	274.17215	NA	MeJP	NA	NA
+HMDB00394	3-Hydroxytetradecanedioic acid	C14H26O5	274.178009	NA	HMDB2010	NA	NA
+HMDB00394	3-Hydroxytetradecanedioic acid	C14H26O5	274.17801	http://www.hmdb.ca/metabolites/HMDB00394	HMDB	NA	NA
+HMDB00394	3-Hydroxytetradecanedioic acid	C14H26O5	274.17801	HMDB00394	PFEM_hmdb_metabocards_official	NA	NA
+3751	NA	KK	274.188	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ020860	Hydrostatin A 	C13H26N2O4	274.189257	NA	MeJP	NA	NA
+MJ020861	Nisobamate 	C13H26N2O4	274.189257	NA	MeJP	NA	NA
+MJ020862	Tybamate 	C13H26N2O4	274.189257	NA	MeJP	NA	NA
+MJ020863	Valinoctin; Valinoctin A 	C13H26N2O4	274.189257	NA	MeJP	NA	NA
+HMDB02725	Nandrolone	C18H26O2	274.193268	NA	HMDB2010	NA	NA
+HMDB02725	Nandrolone	C18H26O2	274.19327	http://www.hmdb.ca/metabolites/HMDB02725	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02725	Nandrolone	C18H26O2	274.19327	http://www.hmdb.ca/metabolites/HMDB02725	HMDB	NA	NA
+HMDB02725	Nandrolone	C18H26O2	274.19327	http://www.hmdb.ca/metabolites/HMDB02725	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02725	Nandrolone	C18H26O2	274.19327	HMDB02725	PFEM_hmdb_metabocards_official	NA	NA
+MJ020864	1-Phenyl-1,3-dodecanedione 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020865	10,14,16-Octadecatrien-12-ynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020866	12-Octadecene-8,10-diynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020867	13-Octadecene-9,11-diynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020868	17-Hydroxyestr-4-en-3-one; 17?-form 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020869	17-Octadecene-9,11-diynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020870	2,9-Octadecadiene-4,6-diyne-1,18-diol 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020871	2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, 1-Me ether 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020872	2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, 4-Me ether 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020873	3,6,9,12,15-Octadecapentaenoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020874	5-Octadecene-7,9-diynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020875	7,9,12-Octadecatrien-5-ynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020876	8,11,13-Podocarpatriene-12,13-diol; 12-Me ether 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020877	8,11,13-Podocarpatriene-12,13-diol; 13-Me ether 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020878	8,11,13-Podocarpatriene-13,14-diol; 13-Me ether 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020879	9,12,15-Octadecatrien-6-ynoic acid 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020880	9,17-Octadecadiene-12,14-diyne-1,16-diol 	C18H26O2	274.19328	NA	MeJP	NA	NA
+MJ020881	Tanzawaic acid C; 1-Deoxy 	C18H26O2	274.19328	NA	MeJP	NA	NA
+C07254	Nandrolone	C18H26O2	274.1933	NA	KEGG	NA	NA
+C10903	Cinmethylin	C18H26O2	274.1933	NA	KEGG	NA	NA
+C15257	17beta-Hydroxyestr-5(10)-en-3-one	C18H26O2	274.1933	NA	KEGG	NA	NA
+PJ000140	KK 	C12H26N4O3	274.2005	NA	PeJP	NA	NA
+C07532	Ropivacaine	C17H26N2O	274.2045	NA	KEGG	NA	NA
+C09889	alpha-Obscurine	C17H26N2O	274.2045	NA	KEGG	NA	NA
+C09895	Sauroxine	C17H26N2O	274.2045	NA	KEGG	NA	NA
+MJ020882	3-(2-Pyrrolidinyl)pyridine, N-Octanoyl 	C17H26N2O	274.204513	NA	MeJP	NA	NA
+MJ020883	?-Obscurine; Natural-form, 12-Epimer, 2,3-dihydro 	C17H26N2O	274.204513	NA	MeJP	NA	NA
+MJ020884	?-Obscurine; Natural-form, 2,3-Dihydro 	C17H26N2O	274.204513	NA	MeJP	NA	NA
+MJ020885	Phenampromide 	C17H26N2O	274.204513	NA	MeJP	NA	NA
+MJ020886	Ropivacaine 	C17H26N2O	274.204513	NA	MeJP	NA	NA
+C13854	1-Dodecanoyl-sn-glycerol	C15H30O4	274.2144	NA	KEGG	NA	NA
+C13855	Transferred to D02148	C15H30O4	274.2144	NA	KEGG	NA	NA
+MJ020887	Glycerol 1-alkanoates; Glycerol 1-dodecanoate 	C15H30O4	274.214409	NA	MeJP	NA	NA
+MJ020888	17-Nor-16-kauranone; ent-form 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020889	18-Nor-7,15-isopimaradien-4-ol; 4?-form 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020890	18-Nor-8(14),15-isopimaradien-4-ol 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020891	18-Nor-8(14),15-pimaradien-4-ol 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020892	19-Nor-16-kauren-4-ol; ent-form 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020893	19-Nor-7,13-abietadien-4-ol 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020894	3,7-Diethyl-9-phenyl-2-nonanone 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020895	3-Tridecylphenol; 8',9'-Didehydro (Z-) 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020896	Androst-16-en-3-ol 	C19H30O	274.229665	NA	MeJP	NA	NA
+MJ020897	Pachyaldehyde 	C19H30O	274.229665	NA	MeJP	NA	NA
+HMDB05935	Androstenol	C19H30O	274.229675	NA	HMDB2010	NA	NA
+HMDB05935	Androstenol	C19H30O	274.22968	http://www.hmdb.ca/metabolites/HMDB05935	HMDB	NA	NA
+HMDB06571	3a-Hydroxyandrost-16-ene	C19H30O	274.22968	http://www.hmdb.ca/metabolites/HMDB06571	HMDB	NA	NA
+HMDB05935	Androstenol	C19H30O	274.22968	HMDB05935	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06571	3a-Hydroxyandrost-16-ene	C19H30O	274.22968	HMDB06571	PFEM_hmdb_metabocards_official	NA	NA
+C01876	3-Oxosteroid	C19H30O	274.2297	NA	KEGG	NA	NA
+C01881	7-Oxosteroid	C19H30O	274.2297	NA	KEGG	NA	NA
+C02797	3-Oxo-5beta-steroid	C19H30O	274.2297	NA	KEGG	NA	NA
+C02940	3-Oxo-5alpha-steroid	C19H30O	274.2297	NA	KEGG	NA	NA
+C03836	3beta-Hydroxy-delta5-steroid	C19H30O	274.2297	NA	KEGG	NA	NA
+C15298	5alpha-Androstan-2-en-17beta-ol	C19H30O	274.2297	NA	KEGG	NA	NA
+C13948	16-Fluorohexadecanoic acid	C16H31FO2	274.2308	NA	KEGG	NA	NA
+MJ020898	16-Fluorohexadecanoic acid 	C16H31FO2	274.230808	NA	MeJP	NA	NA
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR514	12-HPETE F3	NA	274.230925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR514	12-HPETE F3	NA	274.230925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR514	12-HPETE F3	NA	274.230925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR514	12-HPETE F3	NA	274.230925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR514	12-HPETE F3	F3	274.230925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ020899	3-Tridecyloxy-1,2-propanediol 	C16H34O3	274.250794	NA	MeJP	NA	NA
+MJ020900	2,6,11,15-Tetramethyl-2,6,10,14-hexadecatetraene 	C20H34	274.266051	NA	MeJP	NA	NA
+MJ020901	Isodigeranyl 	C20H34	274.266051	NA	MeJP	NA	NA
+MJ020902	Kaurane 	C20H34	274.266051	NA	MeJP	NA	NA
+MJ020903	Gibberellin 20 	C20H34	274.266051	NA	MeJP	NA	NA
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR305	Gluthation oxyde F7	NA	274.560375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR305	Gluthation oxyde F7	NA	274.560375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR305	Gluthation oxyde F7	NA	274.560375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR305	Gluthation oxyde F7	NA	274.560375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR305	glutathione oxidized F7	F7	274.560375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+3789	NA	YPASL	274.634	MH2+	Inhouse_peptide	NA	peptide
+7801	ACE inhibitor from as2-casein	VRYL	274.658	MH2+	Inhouse_peptide	NA	peptide
+C04178	Bromoxynil	C7H3Br2NO	274.8581	NA	KEGG	NA	NA
+C04180	cis-3-Decenoyl-[acyl-carrier protein]	C10H17OSR	274.8581	NA	KEGG	NA	NA
+MetaCyc02470	3,5-dibromo-4-hydroxybenzonitrile []	C7H3N1O1BR2	274.858139	1689-84-5	metacyc	NA	NA
+MJ020904	Licostinel 	C8H3Cl2N3O4	274.950061	NA	MeJP	NA	NA
+C03900	S-(4-Bromophenyl)-L-cysteine	C9H10BrNO2S	274.9616	NA	KEGG	NA	NA
+MJ020905	(3-Amino-4-hydroxyphenyl)arsonic acid; N-Ac 	C8H10AsNO5	274.977493	NA	MeJP	NA	NA
+MJ020906	1,2-Benzisoselenazol-3(2H)-one; N-Ph 	C13H9NOSe	274.984935	NA	MeJP	NA	NA
+MJ020907	Iobenguane 	C8H10IN3	274.99194	NA	MeJP	NA	NA
+MJ020908	2-Bromo-N-(2-chloroethyl)-N-ethylbenzenemethanamine 	C11H15BrClN	275.007639	NA	MeJP	NA	NA
+MJ020909	Antibiotic Sch 29428 	C10H13NO4S2	275.028599	NA	MeJP	NA	NA
+MJ020910	Meticrane 	C10H13NO4S2	275.028599	NA	MeJP	NA	NA
+MJ020911	Tiprotimod 	C10H13NO4S2	275.028599	NA	MeJP	NA	NA
+C12022	Phosphophosphinate	C6H15NO7P2	275.0324	NA	KEGG	NA	NA
+C17718	Sulfamethoxazole sodium	C10H10N3O3S	275.0341	NA	KEGG	NA	NA
+MetaCyc02471	L-tyrosine methyl ester 4-sulfate []	C10H13N1O6S1	275.046358	NA	metacyc	NA	NA
+C04201	L-Tyrosine methyl ester 4-sulfate	C10H13NO6S	275.0464	NA	KEGG	NA	NA
+C04202	Long-chain-fatty-acyl ethyl ester	C3H5O2R	275.0464	NA	KEGG	NA	NA
+MJ020912	Nifuroxazide 	C12H9N3O5	275.05422	NA	MeJP	NA	NA
+MJ020913	Paraoxon 	C10H14NO6P	275.055873	NA	MeJP	NA	NA
+MetaCyc02472	paraoxon [O,O-diethyl-O-p-nitrophenylphosphoric acid;diethyl-p-nitrophenyl phosphate;phosphoric acid diethyl 4-nitrophenyl ester;diethyl paraoxon;]	C10H14N1O6P1	275.055874	311-45-5	metacyc	NA	NA
+C06606	Paraoxon	C10H14NO6P	275.0559	NA	KEGG	NA	NA
+C09567	Liriodenine	C17H9NO3	275.0582	NA	KEGG	NA	NA
+MJ020914	Liriodenine 	C17H9NO3	275.058243	NA	MeJP	NA	NA
+C11107	3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole	C10H13NO8	275.0641	NA	KEGG	NA	NA
+MJ020915	Furalazine; 3-N-Ac 	C11H9N5O4	275.065453	NA	MeJP	NA	NA
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR281	Neopterine F2	NA	275.069475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR281	Neopterine F2	NA	275.069475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR281	Neopterine F2	NA	275.069475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR281	Néoptérine F2	F2	275.069475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR281	Neopterine F2	NA	275.069475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR281	Neopterine F2	F2	275.069475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ020916	Collismycin 	C13H13N3O2S	275.072847	NA	MeJP	NA	NA
+MJ020917	1,3a,4,8b-Tetrahydro-3a,8b-dihydroxy-2-methyl-4-oxoindeno[1,2-b]pyrrole-3-carboxylic acid, Me ester 	C14H13NO5	275.079372	NA	MeJP	NA	NA
+MJ020918	4-Hydroxy-2,3-quinolinedicarboxylic acid; NH-form, N-Me, di-Me ester 	C14H13NO5	275.079372	NA	MeJP	NA	NA
+MJ020919	Renierol; O-Ac 	C14H13NO5	275.079372	NA	MeJP	NA	NA
+MJ020920	Tipepidine 	C15H17NS2	275.08024	NA	MeJP	NA	NA
+MJ020921	Metronidazole; Benzoyl 	C13H13N3O4	275.090605	NA	MeJP	NA	NA
+PJ000141	GPC 	C10H17N3O4S	275.094	NA	PeJP	NA	NA
+MJ020922	Dehydroroemerine; 4,5-Didehydro 	C18H13NO2	275.094628	NA	MeJP	NA	NA
+MJ020923	Ibafloxacin 	C15H14FNO3	275.095771	NA	MeJP	NA	NA
+C08328	Cardiospermin	C11H17NO7	275.1005	NA	KEGG	NA	NA
+C08340	Sarmentosin	C11H17NO7	275.1005	NA	KEGG	NA	NA
+MJ020924	2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 2-O-?-D-glucopyranoside 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+MJ020925	4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, Nitrile, 4-O-?-D-glucopyranoside 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+MJ020926	4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile(E-), O-?-D-glucopyranoside 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+MJ020927	4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile(Z-), O-?-D-glucopyranoside 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+MJ020928	4-Hydroxy-3-methyl-2-butenoic acid, 2S,3R-Epoxide, O-?-D-glucopyranoside, nitrile 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+MJ020929	Jatropham, O-?-D-Glucopyranoside 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+MJ020930	Mycosporin 1, 9-Carboxylic acid 	C11H17NO7	275.100501	NA	MeJP	NA	NA
+HMDB01786	Ethenodeoxyadenosine	C12H13N5O3	275.101837	NA	HMDB2010	NA	NA
+MJ020931	Sangivamycic acid; 5'-Deoxy, nitrile 	C12H13N5O3	275.101839	NA	MeJP	NA	NA
+HMDB01786	Ethenodeoxyadenosine	C12H13N5O3	275.10184	http://www.hmdb.ca/metabolites/HMDB01786	HMDB	NA	NA
+HMDB01786	Ethenodeoxyadenosine	C12H13N5O3	275.10184	HMDB01786	PFEM_hmdb_metabocards_official	NA	NA
+C05283	(5-L-Glutamyl)-L-glutamine	C10H17N3O6	275.1117	NA	KEGG	NA	NA
+C18048	N-Succinyl-L-citrulline	C10H17N3O6	275.1117	NA	KEGG	NA	NA
+C18049	N-Acyl-L-homoserine lactone	C5H6NO3R	275.1117	NA	KEGG	NA	NA
+PJ000142	QE 	C10H17N3O6	275.1117	NA	PeJP	NA	NA
+HMDB05766	Norophthalmic acid	C10H17N3O6	275.11172	http://www.hmdb.ca/metabolites/HMDB05766	HMDB	NA	NA
+HMDB05766	Norophthalmic acid	C10H17N3O6	275.11172	HMDB05766	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05766	Norophthalmic acid	C10H17N3O6	275.111725	NA	HMDB2010	NA	NA
+HMDB11738	Gamma-Glutamylglutamine	C10H17N3O6	275.111725	NA	HMDB2010	NA	NA
+MJ020932	?-Glutamylalanylglycine; L-L-form 	C10H17N3O6	275.111735	NA	MeJP	NA	NA
+PJ000143	GAE 	C10H17N3O6	275.1118	NA	PeJP	NA	NA
+MJ020933	1-(4,5-Methylenedioxy-2-methoxycinnamoyl)pyrrolidine 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020934	2-Methoxy-4,5-methylenedioxycinnamic acid, Pyrrolidide 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020935	2-Piperidinecarboxylic acid, N-(4-Hydroxycinnamoyl)(E-) 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020936	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether, pyrrolidide 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020937	Actiphenol 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020938	Dubinidine 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020939	Fusarochromanone; 3'-Deamino, 2',3'-didehydro 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020940	Isoplatydesmine, 2'-Hydroxy 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020941	Myrtopsine 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020942	Obscurolide A3; 1''-Aldehyde 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020943	Obscurolide B3; 5-Epimer, 7-aldehyde 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020944	Obscurolide B3; 7'-Aldehyde 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020945	Obscurolide D2 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020946	Ribaline 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+MJ020947	Ribalinine, 7-Hydroxy 	C15H17NO4	275.115758	NA	MeJP	NA	NA
+C10662	Dubinidine	C15H17NO4	275.1158	NA	KEGG	NA	NA
+4007	NA	WA	275.116	antifungal	Inhouse_peptide	NA	peptide
+7543	ACE inhibitor	AW	275.116	antioxidative	Inhouse_peptide	NA	peptide
+7670	ACE inhibitor from k-CN (76-80)	PNSHP	275.11845	MH2+	Inhouse_peptide	NA	peptide
+HMDB13209	Alanyltryptophan	C14H17N3O3	275.126984	NA	HMDB2010	NA	NA
+MJ020948	Methyl [3-[2-(acetylamino)ethyl]-1H-indol-5-yl]carbamate 	C14H17N3O3	275.126991	NA	MeJP	NA	NA
+PJ000144	AW 	C14H17N3O3	275.127	NA	PeJP	NA	NA
+7840	ACE inhibitor	EK	275.136	immunomodulating	Inhouse_peptide	NA	peptide
+7841	ACE inhibitor	KE	275.136	immunomodulating	Inhouse_peptide	NA	peptide
+HMDB13130	Glutarylcarnitine	C12H21NO6	275.136902	NA	HMDB2010	NA	NA
+MJ020949	1-Isothiocyanato-11-(methylthio)undecane; S-Oxide 	C13H25NOS2	275.137755	NA	MeJP	NA	NA
+MJ020950	Aditeren 	C13H17N5O2	275.138224	NA	MeJP	NA	NA
+MJ020951	Cipamfylline 	C13H17N5O2	275.138224	NA	MeJP	NA	NA
+MJ020952	Meturedepa 	C11H22N3O3P	275.139878	NA	MeJP	NA	NA
+MJ020953	2-Amino-N-ethyl-N-(2-phenylethyl)-5-thiazoleethanamine 	C15H21N3S	275.145618	NA	MeJP	NA	NA
+PJ000145	KE 	C11H21N3O5	275.1481	NA	PeJP	NA	NA
+MJ020954	N6-?-Glutamyllysine; L-L-form 	C11H21N3O5	275.14812	NA	MeJP	NA	NA
+HMDB03869	epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	275.14813	http://www.hmdb.ca/metabolites/HMDB03869	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03869	epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	275.14813	http://www.hmdb.ca/metabolites/HMDB03869	HMDB	NA	NA
+HMDB04207	L-alpha-glutamyl-L-Lysine	C11H21N3O5	275.14813	http://www.hmdb.ca/metabolites/HMDB04207	HMDB	NA	NA
+HMDB03869	Epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	275.14813	Tripeptides  ;SYN:Protirelin; Protirelin (JP15/USAN); Relefact TRH (TN); TRF; TRH; Thyroliberin; Thyrotropin releasing hormone; Thyrotropin-releasing factor; Thyrotropin-releasing factor (8CI); (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2; L-Pyroglutamyl-L-histidyl-L-prolinamide; L-Pyroglutamyl-L-histidyl-L-proline amide; Lopremone; Prem; Relefact TRH; Rifathyroin; Rifotironin; Stimu TSH; Synthetic TRF; Synthetic TRH; Synthetic TSH-releasing factor; Synthetic TSH-releasing hormone; Synthetic thyrotropin-releasing factor; Synthetic thyrotropin-releasing hormone; TSH-RF; TSH-releasing factor; TSH-releasing hormone; Thypinone; Thyrefact; Thyroid releasing hormone; Thyroid-stimulating hormone-releasing factor; Thyrotropic hormone-releasing factor; Thyrotropic hormone-releasing hormone; Thyrotropic releasing hormone; Thyrotropic-releasing factor; Thyrotropin-releasing hormoneH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB03869	epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	275.14813	http://www.hmdb.ca/metabolites/HMDB03869	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03869	epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	275.14813	HMDB03869	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04207	L-alpha-glutamyl-L-Lysine	C11H21N3O5	275.14813	HMDB04207	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03869	Epsilon-(gamma-Glutamyl)-lysine	C11H21N3O5	275.148132	NA	HMDB2010	NA	NA
+HMDB04207	L-a-glutamyl-L-Lysine	C11H21N3O5	275.148132	NA	HMDB2010	NA	NA
+2661	synthetic fr, of human beta-CN (139-143) ACE inhibitor	PQPIP	275.149	MH2+	Inhouse_peptide	NA	peptide
+C07814	Homatropine	C16H21NO3	275.1521	NA	KEGG	NA	NA
+C09852	Annotine	C16H21NO3	275.1521	NA	KEGG	NA	NA
+C09855	Annotinine	C16H21NO3	275.1521	NA	KEGG	NA	NA
+C10862	Norhyoscyamine	C16H21NO3	275.1521	NA	KEGG	NA	NA
+C12234	Epinorlycoramine	C16H21NO3	275.1521	NA	KEGG	NA	NA
+C13682	Dihydro-beta-erythroidine	C16H21NO3	275.1521	NA	KEGG	NA	NA
+MJ020955	1-Hydroxy-7-methylpyrrolizidine, O-(4-Methoxybenzoyl) 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020956	3-Heptyl-3-hydroxy-2,4(1H,3H)-quinolinedione 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020957	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-Phenylacetyl 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020958	7-Hydroxy-1-hydroxymethylpyrrolizidine, O7-Phenylacetyl 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020959	8-Hydroxy-3-oxo-1,7(11)-eremophiladien-12,8-lactam; 8àOH-form, Me ether 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020960	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Hydroxyphenylacetyl) 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020961	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(4-Hydroxyphenylacetyl) 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020962	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(4-Methoxybenzoyl) 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020963	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Phenylacetyl 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020964	?-Erythroidine; 1,2,6,7-Tetrahydro, 1,6-didehydro 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020965	Annotine 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020966	Annotinine 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020967	Fastudine 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020968	Galanthamine, 1,2-Dihydro, N-de-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020969	Galanthamine, 1,2-Dihydro, O-de-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020970	Galanthamine, 3-Epimer, 1,2-dihydro, N-de-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020971	Homatropine 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020972	Huperzine P 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020973	Isoelaeocarpicine 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020974	Isophellibiline 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020975	Lasubine I; 2-Ketone, O3'-de-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020976	Lycopodium Base VIII 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020977	Maritidine, 1,2-Dihydro, O8-de-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020978	Maritidine, 3-Epimer, 1,2-dihydro, O8-de-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020979	Mesembrenol; N-De-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020980	Mesembrenol; O4'-De-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020981	Phellibiline 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020982	Pilokeanine 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020983	Piperlonguminine, 4,5-Dihydro 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020984	Rolipram 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+MJ020985	Tropine tropate, N-De-Me 	C16H21NO3	275.152143	NA	MeJP	NA	NA
+PJ000146	TR 	C10H21N5O4	275.1594	NA	PeJP	NA	NA
+MJ020986	Eserine 	C15H21N3O2	275.163376	NA	MeJP	NA	NA
+MJ020987	Mexolamine 	C15H21N3O2	275.163376	NA	MeJP	NA	NA
+MJ020988	Tetrahydro-N-(2-nitrophenyl)-1H-pyrrolizine-7a(5H)-ethanamine 	C15H21N3O2	275.163376	NA	MeJP	NA	NA
+C06535	Physostigmine	C15H21N3O2	275.1634	NA	KEGG	NA	NA
+MJ020989	Cyclobenzaprine 	C20H21N	275.167399	NA	MeJP	NA	NA
+MJ020990	Octriptyline 	C20H21N	275.167399	NA	MeJP	NA	NA
+C06931	Cyclobenzaprine	C20H21N	275.1674	NA	KEGG	NA	NA
+MJ020991	Serratamic acid 	C13H25NO5	275.173272	NA	MeJP	NA	NA
+HMDB13131	Hydroxyhexanoycarnitine	C13H25NO5	275.173279	NA	HMDB2010	NA	NA
+C09879	Lycoflexine	C17H25NO2	275.1885	NA	KEGG	NA	NA
+C09886	Magellanine	C17H25NO2	275.1885	NA	KEGG	NA	NA
+MJ020992	3-(1-Piperidinyl)-1-(4-propoxyphenyl)-1-propanone 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020993	6-[2-(1-Hydroxybutyl)-4-methylphenyl]-5-hexenamide 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020994	Hexahydro-1,3-dimethyl-4-phenyl-1H-azepine-4-carboxylic acid; Et ester 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020995	Joubertiamine, 2,3-Dihydro, Me ether 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020996	Lobscurinol 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020997	Lycoflexine 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020998	Lycopodium Base E 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ020999	Lycopodium Base IX 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021000	Magellanine 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021001	Meprodine 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021002	Mesembrine, Deoxo 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021003	Proheptazine 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021004	Sedinine 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021005	Sedinone 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021006	Trimeperidine 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021007	p-Menthan-3-ol, 2-Aminobenzoyl 	C17H25NO2	275.188529	NA	MeJP	NA	NA
+MJ021008	Propiram 	C16H25N3O	275.199762	NA	MeJP	NA	NA
+MJ021009	2,4,8,11-Tetradecatetraenoic acid, 2-Methylpropylamide 	C18H29NO	275.224914	NA	MeJP	NA	NA
+MJ021010	2-Amino-5,9,12,15,17-octadecapentaen-3-ol 	C18H29NO	275.224914	NA	MeJP	NA	NA
+MJ021011	Corydendramine A 	C18H29NO	275.224914	NA	MeJP	NA	NA
+MJ021012	Piperphenidol 	C18H29NO	275.224914	NA	MeJP	NA	NA
+MJ021013	2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine, 1,2,8'',9''-Tetradehydro 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021014	2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine, 1,5,8'',9''-Tetradehydro 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021015	3,5-Di-5-hexenylpyrrolizidine 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021016	3-(5-Hexenyl)-5-(4-pentyl)indolizidine 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021017	3-(8-Nonenyl)-5-(1-propenyl)pyrrolizidine 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021018	Decahydro-2,5-bis(4-pentenyl)quinoline 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021019	Hexadiline 	C19H33N	275.2613	NA	MeJP	NA	NA
+MJ021020	Gallium(III) hydroxide citrate 	C6H7GaO8	275.939673	NA	MeJP	NA	NA
+MJ021021	2-Bromo-3,5,6-trimethoxy-1,4-benzoquinone 	C9H9BrO5	275.963336	NA	MeJP	NA	NA
+MJ021022	2,2':5',2''-Terthiophene-5-carboxaldehyde 	C13H8OS3	275.973726	NA	MeJP	NA	NA
+MJ021023	Eudistomin D; N9-Me 	C12H9BrN2O	275.989825	NA	MeJP	NA	NA
+MJ021024	?-Oxo-5'-(1-propynyl)[2,2'-bithiophene]-5-acetic acid 	C13H8O3S2	275.991485	NA	MeJP	NA	NA
+MJ021025	5,7-Dichloro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one; 3,4-Dihydro, 6-Me ether 	C11H10Cl2O4	275.995614	NA	MeJP	NA	NA
+C11570	2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole	C13H9ClN2OS	276.0124	NA	KEGG	NA	NA
+C07643	4-Hydroxycyclophosphamide	C7H15Cl2N2O3P	276.0197	NA	KEGG	NA	NA
+C07645	Aldophosphamide	C7H15Cl2N2O3P	276.0197	NA	KEGG	NA	NA
+C16553	4-Hydroxyifosfamide	C7H15Cl2N2O3P	276.0197	NA	KEGG	NA	NA
+C16556	Aldoifosfamide	C7H15Cl2N2O3P	276.0197	NA	KEGG	NA	NA
+MJ021026	Aldophosphamide 	C7H15Cl2N2O3P	276.019734	NA	MeJP	NA	NA
+C00345	6-Phospho-D-gluconate	C6H13O10P	276.0246	NA	KEGG	NA	NA
+C04234	2-Carboxy-D-arabinitol 1-phosphate	C6H13O10P	276.0246	NA	KEGG	NA	NA
+C04235	3-Acetylenic fatty acyl thioesters	C4H2OSR2	276.0246	NA	KEGG	NA	NA
+HMDB01316	6-Phosphogluconic acid	C6H13O10P	276.024628	NA	HMDB2010	NA	NA
+HMDB01316	6-Phosphogluconic acid	C6H13O10P	276.02463	http://www.hmdb.ca/metabolites/HMDB01316	HMDB	NA	NA
+HMDB01316	6-Phosphogluconic acid	C6H13O10P	276.02463	HMDB01316	PFEM_hmdb_metabocards_official	NA	NA
+MJ021027	6-Phospho-D-gluconate 	C6H13O10P	276.024633	NA	MeJP	NA	NA
+MJ021028	2-C-(Hydroxymethyl)ribonic acid, 5-O-Phosphate 	C6H13O10P	276.024633	NA	MeJP	NA	NA
+MetaCyc02473	6-phospho-D-gluconate [6-p-gluconate;6-phospho-gluconate;6-phosphogluconic acid;]	C6H13O10P1	276.024633	NA	metacyc	NA	NA
+MetaCyc02474	2-carboxy-D-arabinitol-1-phosphate [2-carboxyarabinitol 1-phosphate;D-Ribonic acid, 2-C-((phosphonooxy)methyl)-;]	C6H13O10P1	276.024633	NA	metacyc	NA	NA
+MJ021029	3,4,8,9,10-Pentahydroxy-6H-dibenzo[b,d]pyran-6-one 	C13H8O7	276.027002	NA	MeJP	NA	NA
+MJ021030	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol; Ac 	C14H12O2S2	276.027871	NA	MeJP	NA	NA
+MJ021031	?-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol; Ac 	C14H12O2S2	276.027871	NA	MeJP	NA	NA
+MetaCyc02475	5-(4-acetoxybut-1-ynyl)-2-2'-bithiophene []	C14H12O2S2	276.027871	NA	metacyc	NA	NA
+C04485	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene	C14H12O2S2	276.0279	NA	KEGG	NA	NA
+MJ021032	Indisocin 	C13H9ClN2O3	276.030169	NA	MeJP	NA	NA
+C15627	GW 9662	C13H9ClN2O3	276.0302	NA	KEGG	NA	NA
+MJ021033	Chlorpropamide 	C10H13ClN2O3S	276.03354	NA	MeJP	NA	NA
+MJ021034	3-[(1,4-Dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)thio]propanoic acid 	C14H12O4S	276.045629	NA	MeJP	NA	NA
+MetaCyc02476	hexane-6-keto-1,3,4,6-tetracarboxylate []	C10H12O9	276.048132	NA	metacyc	NA	NA
+MJ021035	7-Isopropyl-1,4-dimethylazulene; 12-Bromo 	C15H17Br	276.051363	NA	MeJP	NA	NA
+MJ021036	7-Isopropyl-1,4-dimethylazulene; 2-Bromo 	C15H17Br	276.051363	NA	MeJP	NA	NA
+MJ021037	3-Chloro-2-oxo-1(10),3,7(11),8-guaiatetraen-12,6-olide 	C15H13ClO3	276.055321	NA	MeJP	NA	NA
+MJ021038	4-Aminobenzenesulfonic acid; N-Benzoyl, amide 	C13H12N2O3S	276.056862	NA	MeJP	NA	NA
+MJ021039	2,8-Dihydroxy-6-methoxy-3-(2-oxopropyl)-1,4-naphthoquinone 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021040	5,8-Dihydro-7-hydroxy-4-(2-hydroxypropyl)-5,8-dioxo-2-naphthalenecarboxylic acid 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021041	6-(2-Acetyl-3,5-dihydroxybenzyl)-4-hydroxy-2H-pyran-2-one 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021042	6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one; 2',4-Dimethoxy 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021043	6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one; 4,5-Dimethoxy 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021044	7-Hydroxy-2H-1-benzopyran-2-one; O-(3-Carboxybutanoyl)(S-) 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021045	Ammiol 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021046	Cerdarin 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021047	Citreoisocoumarinol; 2',4'-Diketone 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021048	Cryptosporin 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021049	Dumortin A; 7,8-Dihydro 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021050	Fonsecin; O-De-Me 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021051	Fusarubin; 6-Deoxy, O-de-Me 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021052	Halfordin 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021053	Isohalfordin 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021054	Javanicin; O-De-Me 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021055	Juglomycin D; 3-Deoxy 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021056	Norjavanicin 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021057	Plumericin; Parent acid 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021058	Talaroflavone 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021059	Thysanone 	C14H12O6	276.063388	NA	MeJP	NA	NA
+MJ021060	Didemnum conchyliatum Alkaloid 	C15H8N4O2	276.064725	NA	MeJP	NA	NA
+MJ021061	Flutamide 	C11H11F3N2O3	276.072176	NA	MeJP	NA	NA
+C07653	Flutamide	C11H11F3N2O3	276.0722	NA	KEGG	NA	NA
+MJ021062	N-?-Glutamylcysteine; L-L-form, S-Vinyl 	C10H16N2O5S	276.077992	NA	MeJP	NA	NA
+HMDB04818	Biotin sulfone	C10H16N2O5S	276.078	http://www.hmdb.ca/metabolites/HMDB04818	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04818	Biotin sulfone	C10H16N2O5S	276.078	http://www.hmdb.ca/metabolites/HMDB04818	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04818	Biotin sulfone	C10H16N2O5S	276.078	http://www.hmdb.ca/metabolites/HMDB04818	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04818	Biotin sulfone	C10H16N2O5S	276.078	http://www.hmdb.ca/metabolites/HMDB04818	HMDB	NA	NA
+HMDB04818	Biotin sulfone	C10H16N2O5S	276.078	HMDB04818	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04818	Biotin sulfone	C10H16N2O5S	276.078003	NA	HMDB2010	NA	NA
+MJ021063	3-Hydroxy-2,5-diphenyl-1,4-benzoquinone 	C18H12O3	276.078644	NA	MeJP	NA	NA
+MJ021064	6,8-Dihydroxy-4-methyl-7H-benz[de]anthracen-7-one 	C18H12O3	276.078644	NA	MeJP	NA	NA
+MJ021065	Isotanshinone I 	C18H12O3	276.078644	NA	MeJP	NA	NA
+MJ021066	Tanshinone I 	C18H12O3	276.078644	NA	MeJP	NA	NA
+MJ021067	Clenbuterol 	C12H18Cl2N2O	276.079618	NA	MeJP	NA	NA
+8329	Stimulating vasoactive substance release	EE	276.084	Tripeptides  ;SYN:3-[[2-amino-2-[(carboxymethyl)carbamoyl]ethyl]dithio]-Alanine; L-cysteinyl-Glycine disulfide; Cystinylglycine; Cystinyl-GLY; (R)-N-(3-((2-amino-2-carboxyethyl)dithio)-ala)-GlyH2Blood	Inhouse_peptide	NA	peptide
+C08512	Ranunculin	C11H16O8	276.0845	NA	KEGG	NA	NA
+MJ021068	3-Hydroxymethyl-2(5H)-furanone; O-?-D-Glucopyranoside 	C11H16O8	276.084517	NA	MeJP	NA	NA
+MJ021069	4-Hydroxy-5-methyl-3(2H)-furanone; O-?-D-Glucopyranoside 	C11H16O8	276.084517	NA	MeJP	NA	NA
+MJ021070	4-Hydroxymethyl-2(5H)-furanone; ?-D-Glucopyranoside 	C11H16O8	276.084517	NA	MeJP	NA	NA
+MJ021071	5-Hydroxymethyl-2(5H)-furanone, ?-D-Glucopyranoside 	C11H16O8	276.084517	NA	MeJP	NA	NA
+MJ021072	Isoranunculin 	C11H16O8	276.084517	NA	MeJP	NA	NA
+MJ021073	Ranuncoside 	C11H16O8	276.084517	NA	MeJP	NA	NA
+CJpos0677	Aminonicotinic acid isomers [(2M+H)]+	C12H13N4O4	276.085275	C18rt(min)=1.06 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0677	Aminonicotinic acid isomers [(2M+H)]+	C12H13N4O4	276.085275	C18rt(min)=1.06 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ021074	10H-Indolo[3,2-b]quinoline-11-carboxylic acid; 5H-form, N-Me 	C17H12N2O2	276.089877	NA	MeJP	NA	NA
+MJ021075	13-Oxoellipticine; Nb-Oxide 	C17H12N2O2	276.089877	NA	MeJP	NA	NA
+MJ021076	Telazoline 	C17H12N2O2	276.089877	NA	MeJP	NA	NA
+C14318	Benzo[ghi]perylene	C22H12	276.0939	NA	KEGG	NA	NA
+MJ021077	2,3-Diamino-2,3-dideoxyglucuronic acid, 2N,3N-Di-Ac 	C10H16N2O7	276.09575	NA	MeJP	NA	NA
+MJ021078	2,3-Diamino-2,3-dideoxyguluronic acid, 2,3-N-Di-Ac 	C10H16N2O7	276.09575	NA	MeJP	NA	NA
+MJ021079	Gentiana cruciata Alkaloid IVb 	C10H16N2O7	276.09575	NA	MeJP	NA	NA
+MJ021080	Glutaminopine 	C10H16N2O7	276.09575	NA	MeJP	NA	NA
+MetaCyc02477	&gamma;-glutamyl-D-glutamate []	C10H16N2O7	276.095751	NA	metacyc	NA	NA
+HMDB11737	Gamma Glutamylglutamic acid	C10H16N2O7	276.095764	NA	HMDB2010	NA	NA
+C01425	Glu-Glu	C10H16N2O7	276.0958	NA	KEGG	NA	NA
+C01426	HOE-252	C10H16N2O7	276.0958	NA	KEGG	NA	NA
+C01429	Histone	C10H16N2O7	276.0958	NA	KEGG	NA	NA
+C01431	Keratin	C10H16N2O7	276.0958	NA	KEGG	NA	NA
+C05282	(5-L-Glutamyl)-L-glutamate	C10H16N2O7	276.0958	NA	KEGG	NA	NA
+PJ000147	EE 	C10H16N2O7	276.0958	NA	PeJP	NA	NA
+C14549	Triphenylsilanol	C18H16OSi	276.097	NA	KEGG	NA	NA
+MJ021081	1,10-Epoxy-4,11(13)-germacradiene-12,8;15,6-diolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021082	1,10-Epoxy-8-hydroxy-2-oxo-3,7(11)-guaiadien-12,6-olide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021083	1,2:3,4-Diepoxy-10-hydroxy-5,11(13)-guaiadien-12,6-olide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021084	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021085	1-Hydroxy-4,9,11(13)-germacratriene-12,8;14,6-diolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021086	10-Hydroxy-7(11),8-eremophiladiene-12,8:15,6-diolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021087	10-Hydroxytoxol, 10-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021088	2,2',3,4'-Tetrahydroxy-5,6'-dimethyldiphenyl ether; 4'-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021089	2,3-Dihydro-6-(hydroxyacetyl)-2,2-dimethyl-4H-1-benzopyran-4-one; Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021090	3-Hydroxy-1(10),4,11(13)-germacratriene-12,8:15,6-diolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021091	4,5,6,8-Tetrahydroxy-2-naphthalenecarboxaldehyde; Tetra-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021092	4,5-Epoxy-1(10),7(11),8-germacratriene-12,8:15,6-diolide, 8?,9-Dihydro 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021093	4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, 5-O-E-Cinnamoyl, Me ester 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021094	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 5-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021095	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 6-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021096	5,6,7-Trihydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one; 6-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021097	5-Acetyloxy-5,6-dihydro-4,6-dimethoxy-6-(2-phenylethenyl)-2H-pyran-2-one, O-De-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021098	5-Hydroxy-6-(hydroxyacetyl)-2,2-dimethyl-2H-1-benzopyran; 2'-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021099	6,11-Epoxy-15-nor-2,4-dioxo-5,10-pinguisadien-12-oic acid; Me ester 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021100	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 6-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021101	6,8-Dihydroxy-3-oxo-1,7(11),9-eremophilatrien-12,8-olide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021102	6-Hydroxytremetone, 3'-Acetoxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021103	7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021104	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Epoxy-3-methylbutyl), O8-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021105	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(2-Hydroxy-3-methyl-3-butenyl), O7-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021106	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(2S,3-Epoxy-3-methylbutyl), O7-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021107	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3-Methyl-2-oxobutyl), O7-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021108	7-Acetyl-6,8-dihydroxy-3-methoxy-4,4-dimethyl-1(4H)-naphthalenone 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021109	7-Hydroxy-2H-1-benzopyran-2-one; O-[3-(Methoxycarbonyl)butyl](S-) 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021110	7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 2'-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021111	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2,3-Epoxy-3-methylbutyl) 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021112	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-Hydroxy-3-methyl-3-butenyl) 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021113	7-Methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2H-1-benzopyran-2-one 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021114	8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,10?:4?,5?-Diepoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021115	8,12-Epoxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,10?:4?,5?-Diepoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021116	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021117	8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021118	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021119	9,14-Epoxy-2,7(14),8,10-bisabolatetraene-12,15-dioic acid 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021120	9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021121	Aciculatalactone 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021122	Antibiotic NK-A 17E-233II 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021123	Arnottianin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021124	Ascochitine 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021125	Auraptenol, 2'-Deoxy, 2'-hydroperoxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021126	Brachymerolide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021127	Casegravol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021128	Celereoin; 5-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021129	Chrysanthone B 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021130	Citrubuntin; 1',2'-Dihydro, 1',2'-dihydroxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021131	Citrusal; 3'-Carboxylic acid 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021132	Cneorumcoumarin B 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021133	Collybolidol; 7,9-Diepimer, 6-deoxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021134	Decursidinol, 4'-O-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021135	Dendryol B; 3-Deoxy, 4,4a-didehydro 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021136	Fuscin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021137	Glaupalol; 4'-Hydroxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021138	Goniodiol; 1'-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021139	Goniodiol; 2'-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021140	Hamaudol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021141	Hydroxybreviquinone 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021142	Illudalic acid 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021143	Isophloiodicarpin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021144	Khellactone, 10-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021145	Lagosin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021146	Lomatin, 6-Methoxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021147	Lophopterol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021148	Methysticin, 7,8-Dihydro 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021149	Miscandenin; 11?,13-Dihydro 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021150	Murrangatin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021151	Murraol; Hydroperoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021152	Nidulal 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021153	Nieshoutol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021154	Obtusidin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021155	Obtusiprenin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021156	Omphamurin, 7-O-De-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021157	Pentalenolactone 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021158	Peucenin; 4'-Hydroxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021159	Phloidicarpin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021160	Porelladiolide; 3?,4?-Epoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021161	Prelunularic acid 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021162	Psilostachyin C; 1,2,3,10-Tetradehydro, 1?,10?-epoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021163	Psilostachyin C; 1,2,3,10-Tetradehydro, 1?,10?-epoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021164	Pterolactone B 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021165	Ptilostol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021166	Rutaretin, 9-Me ether 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021167	Scabequinone, 1'-Hydroxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021168	Scabequinone, 7?-Hydroxy 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021169	Secofuscin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021170	Setosol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021171	Tamarin, Hydroperoxide 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021172	Tenucarb 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021173	Toddalolactone; 3'-Deoxy, 3',4'-didehydro, O5-de-Me 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021174	Trichodermaol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021175	Ursinoic acid 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021176	Vernolepin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021177	Vernomenin 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021178	Visamminol 	C15H16O5	276.099773	NA	MeJP	NA	NA
+MJ021179	Viscidone, 2'-Ac 	C15H16O5	276.099773	NA	MeJP	NA	NA
+C09489	Lactucin	C15H16O5	276.0998	NA	KEGG	NA	NA
+C09582	Vernolepin	C15H16O5	276.0998	NA	KEGG	NA	NA
+C09584	Vernomenin	C15H16O5	276.0998	NA	KEGG	NA	NA
+C09926	Dihydromethysticin	C15H16O5	276.0998	NA	KEGG	NA	NA
+C17483	Hamaudol	C15H16O5	276.0998	NA	KEGG	NA	NA
+MJ021180	Xestomanzamine A 	C16H12N4O	276.101111	NA	MeJP	NA	NA
+MJ021181	5-Amino-4-(ribitylamino)uracil 	C9H16N4O6	276.106984	NA	MeJP	NA	NA
+MJ021182	?-Glutamylalbizziine; L-L-form 	C9H16N4O6	276.106984	NA	MeJP	NA	NA
+MJ021183	4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine 	C9H16N4O6	276.106984	NA	MeJP	NA	NA
+MetaCyc02478	5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione [4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine;4-(1-D-ribitylamino)-5-aminouracil;compound 6;]	C9H16N4O6	276.106984	NA	metacyc	NA	NA
+HMDB11106	5-Amino-6-ribitylamino uracil	C9H16N4O6	276.106995	NA	HMDB2010	NA	NA
+C04732	5-Amino-6-(1-D-ribitylamino)uracil	C9H16N4O6	276.107	NA	KEGG	NA	NA
+PJ000148	GSN 	C9H16N4O6	276.107	NA	PeJP	NA	NA
+HMDB06868	S-(2-Methylpropionyl)-dihydrolipoamide-E	C12H22NO2S2	276.10919	http://www.hmdb.ca/metabolites/HMDB06868	HMDB	NA	NA
+HMDB06868	S-(2-Methylpropionyl)-dihydrolipoamide-E	C12H22NO2S2	276.10919	HMDB06868	PFEM_hmdb_metabocards_official	NA	NA
+MJ021184	Formyl-N-acetyl-5-methoxykynurenamine 	C14H16N2O4	276.111007	NA	MeJP	NA	NA
+MJ021185	4-(Acetamidomethyl)-3-(4-acetylphenyl)-2-oxazolidinone 	C14H16N2O4	276.111007	NA	MeJP	NA	NA
+MJ021186	5-Hydroxytryptamine; Nb-(3-Carboxypropanoyl) 	C14H16N2O4	276.111007	NA	MeJP	NA	NA
+MJ021187	Oxagrelate 	C14H16N2O4	276.111007	NA	MeJP	NA	NA
+MJ021188	Taglutimide 	C14H16N2O4	276.111007	NA	MeJP	NA	NA
+MJ021189	Lodinixil 	C14H17ClN4	276.114174	NA	MeJP	NA	NA
+MJ021190	Etintidine 	C12H16N6S	276.115715	NA	MeJP	NA	NA
+MJ021191	Hexahydro-3a,7,7-trimethyl-3-(3-thienyl)indeno[1,7a-b]oxiren-2(1aH)-one 	C16H20O2S	276.1184	NA	MeJP	NA	NA
+MJ021192	9-Hydroxy-12-oxo-10-dodecenoic acid 	C12H20O7	276.120902	NA	MeJP	NA	NA
+MJ021193	Clandonensine 	C12H20O7	276.120902	NA	MeJP	NA	NA
+MJ021194	9-Methoxyellipticine 	C18H16N2O	276.126263	NA	MeJP	NA	NA
+MJ021195	Olivacine; 9-Methoxy 	C18H16N2O	276.126263	NA	MeJP	NA	NA
+C06386	Trimethylenetetraurea	C7H16N8O4	276.1295	NA	KEGG	NA	NA
+C00449	N6-(L-1,3-Dicarboxypropyl)-L-lysine	C11H20N2O6	276.1321	NA	KEGG	NA	NA
+MJ021196	Nitracidomycin A 	C11H20N2O6	276.132136	NA	MeJP	NA	NA
+MJ021197	Saccharopine 	C11H20N2O6	276.132136	NA	MeJP	NA	NA
+MJ021198	N6-(L-1,3-Dicarboxypropyl)-L-lysine 	C11H20N2O6	276.132136	NA	MeJP	NA	NA
+MetaCyc02479	saccharopine [N6-(L-1,3-dicarboxypropyl)-L-lysine;&epsilon;-N-(L-glutar-2-yl)-L-lysine;]	C11H20N2O6	276.132136	997-68-2	metacyc	NA	NA
+HMDB00279	Saccharopine	C11H20N2O6	276.13214	http://www.hmdb.ca/metabolites/HMDB00279	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00279	Saccharopine	C11H20N2O6	276.13214	http://www.hmdb.ca/metabolites/HMDB00279	HMDB	NA	NA
+HMDB00279	Saccharopine	C11H20N2O6	276.13214	http://www.hmdb.ca/metabolites/HMDB00279	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00279	Saccharopine	C11H20N2O6	276.13214	HMDB00279	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00279	Saccharopine	C11H20N2O6	276.132141	NA	HMDB2010	NA	NA
+MJ021199	1,3,7(11)-Elematrien-12,8-olid-15-oic acid; 8?-form, Me ester 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021200	1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-propanone 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021201	1-Hydroxy-13-nor-6,9-eremophiladiene-8,11-dione, Ac 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021202	13,14,15,16-Tetranor-7,9(11)-labdadien-12,17-olid-19-oic acid 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021203	2,3-Dihydro-6,7-dimethoxy-2-methyl-2-(2-methyl-1-propenyl)-4H-1-benzopyran-4-one 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021204	2,3-Dihydro-6-hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)-2,2-dimethyl-4H-1-benzopyran-4-one 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021205	3-Hexen-1-ol, 4-Hydroxy-3-methoxycinnamoyl(E-) 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021206	3-Hexen-1-ol, 4-Hydroxy-3-methoxycinnamoyl(Z-) 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021207	3-Hydroxy-4,6-decadiynoic acid, O-Angeloyl, Me ether 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021208	3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-2-propenoic acid, 4'-Me ether, Me ester 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021209	5,7-Dihydroxy-2,6-dimethyl-8-prenyl-4-chromanone 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021210	5,7-Dihydroxy-2,8-dimethyl-6-prenyl-4-chromanone 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021211	5-(1-Propenyl)-1,2,3-benzenetriol, 1,3-Di-Me ether, 2-O-angeloyl 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021212	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, Me ester 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021213	6,7-Dimethoxy-2-methyl-2-(2-methyl-1-oxopropyl)-2H-1-benzopyran 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021214	6,8-Dimethoxy-2-methyl-3-(2-methylpropyl)-4H-1-benzopyran-4-one 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021215	8-Hydroxy-3-oxo-1,4,11(13)-eudesmatrien-12-oic acid, Me ester 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021216	8-Hydroxy-3-oxo-1,7(11)-eremophiladien-12,8-olide; 8?-form, Me ether 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021217	Amphiphenalone 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021218	Aspertetronin A 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021219	Cordallinol; 8'-Aldehyde 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021220	Foeniculoxin 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021221	Furodysinin lactone; 8-Oxo, Me ether 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021222	Morinin A; 3-Methoxy 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021223	Oudemansin; Oudemansin A, 9-O-De-Me 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021224	Pterosin C, Ac 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021225	Sericealactone; 8-Deoxy 	C16H20O4	276.136159	NA	MeJP	NA	NA
+MJ021226	p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 3-(2-Methylpropanoyl), 9-Ac 	C16H20O4	276.136159	NA	MeJP	NA	NA
+C09548	Scorpioidin	C16H20O4	276.1362	NA	KEGG	NA	NA
+C17745	1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione	C16H20O4	276.1362	NA	KEGG	NA	NA
+MJ021227	Cyclo(leucyltyrosyl) 	C15H20N2O3	276.147392	NA	MeJP	NA	NA
+MJ021228	Multiflorine; 13?-Hydroxy, 5,6-didehydro, N16-oxide 	C15H20N2O3	276.147392	NA	MeJP	NA	NA
+MJ021229	Pifoxime 	C15H20N2O3	276.147392	NA	MeJP	NA	NA
+MJ021230	Sophoramine; 9?-Hydroxy, N-oxide 	C15H20N2O3	276.147392	NA	MeJP	NA	NA
+MJ021231	Sophorasine A 	C15H20N2O3	276.147392	NA	MeJP	NA	NA
+MJ021232	Narbosine C 	C13H24O6	276.157288	NA	MeJP	NA	NA
+C04498	N-(4-Guanidinobutyl)-4-hydroxycinnamide	C14H20N4O2	276.1586	NA	KEGG	NA	NA
+C04500	N-Acetyl-D-glucosaminyldiphosphodolichol	C28H51NO12P2	276.1586	NA	KEGG	NA	NA
+MJ021233	(4-Aminobutyl)guanidine; N1-(4-Hydroxy-E-cinnamoyl) 	C14H20N4O2	276.158625	NA	MeJP	NA	NA
+MJ021234	(4-Aminobutyl)guanidine; N1-(4-Hydroxy-Z-cinnamoyl) 	C14H20N4O2	276.158625	NA	MeJP	NA	NA
+JH174	Daidzein [M+Na]+	NA	276.1608	16.45	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH174	Daidzein [M+Na]+	NA	276.1608	16.45	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH174	Daidzein [M+Na]+	NA	276.1608	16.45	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH174	Daidzein [M+Na]+	NA	276.1608	16.45	Inhousejuil11	NA	NA
+MJ021235	Mebhydrolin 	C19H20N2	276.162648	NA	MeJP	NA	NA
+C09623	Buddledin A	C17H24O3	276.1725	NA	KEGG	NA	NA
+C10494	[6]-Shogaol	C17H24O3	276.1725	NA	KEGG	NA	NA
+C17506	Sugeonyl acetate	C17H24O3	276.1725	NA	KEGG	NA	NA
+MJ021236	1,10-Heptadecadiene-4,6-diyne-3,8,9-triol 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021237	1,16-Heptadecadiene-4,6-diyne-3,9,10-triol 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021238	1,3,5,10-Bisabolatetraen-2-ol; 12-Acetoxy 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021239	1,3,5,10-Bisabolatetraene-1,4-diol, 1-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021240	1,3,5-Herbertatriene, 1,3-Dihydroxy, 1-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021241	1,3,5-Herbertatriene, 1,5-Dihydroxy, 1-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021242	1,9-Heptadecadiene-4,6-diyne-3,8,11-triol 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021243	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 9,10-Epoxide 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021244	1-Hydroxy-9-heptadecene-4,6-diyn-3-one, 9?,10?-Epoxide 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021245	1-Silphinene-3,5-diol; 3-Ketone, 5-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021246	10-Hydroperoxy-1,8-heptadecadiene-4,6-diyn-3-ol 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021247	10-Hydroxy-3(15)-longipinen-2-one; 12?-form, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021248	10-Hydroxy-3-longipinen-5-one; 10?-form, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021249	12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12-Deoxy, 14-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021250	12-Hydroxy-4,11(13)-guaiadien-3-one, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021251	12-Hydroxy-7(11),9-eremophiladien-8-one; 7(11)E-form, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021252	12-Hydroxy-7(11),9-eremophiladien-8-one; 7(11)Z-form, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021253	13-Oxo-8(14)-podocarpen-18-oic acid 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021254	2-[2-(Acetyloxy)ethenyl]-6,10-dimethyl-2,5,9-undecatrienal 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021255	3(15)-Longipinen-4-ol; 14-Acetoxy, 4-ketone 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021256	3,14-Calamenenediol; 14-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021257	3-Hydroxy-4,7(11)-muuroladien-8-one; 3?-form, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021258	4(15),10(14),11(13)-Guaiatriene-6,12-diol, 12-Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021259	4-Hydroxy-2,8-neolemnadien-5-one, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021260	6,11-Epoxy-5,10-pinguisadien-12-ol; Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021261	6-Hydroxy-7,11-eremophiladien-9-one, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021262	7,11-Epoxy-3,10(14)-guaiadien-6-ol, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021263	7-Hydroxy-9,11-eremophiladien-8-one; 7?-form, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021264	9-Hydroxy-1(10),7(11)-eremophiladien-8-one, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021265	9-Hydroxy-3(15),6-caryophylladien-8-one, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021266	Antibiotic NFAT 133 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021267	Calamenene, 2-Hydroxy, 3-acetoxy 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021268	Cyclandelate 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021269	Furanoeremophilan-6-ol, Ac 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021270	Madolin H 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021271	Onchidal 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021272	Pallescensin A, 15-Acetoxy 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021273	Penlanbutenolide 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021274	Plagiochiline C; 15-Deacetoxy 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021275	Prepenlanfuran 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021276	Pyrolagenin 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021277	Shogaol 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021278	Spirodysin 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021279	Taylorione; 4-Acetoxy 	C17H24O3	276.172544	NA	MeJP	NA	NA
+MJ021280	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, 1'-Ketone, 2',3'-didehydro 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021281	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Diketone 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021282	?-Obscurine; Natural-form, 12-Hydroxy, 2,3-dihydro, N-de-Me 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021283	Droxicainide 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021284	Lycocernuine; 14,15-Didehydro 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021285	Lycopodium Base R 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021286	Mamanine; OH-form, O6'-Me 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021287	Molindone 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021288	Multiflorine; 13-Methoxy 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+MJ021289	N,N,N'-Trimethyl-N'-(4-hydroxycinnamoyl)putrescine 	C16H24N2O2	276.183778	NA	MeJP	NA	NA
+C07230	Molindone	C16H24N2O2	276.1838	NA	KEGG	NA	NA
+C09856	Carolinianine	C16H24N2O2	276.1838	NA	KEGG	NA	NA
+MJ021290	Diptaline 	C13H28N2O2S	276.187148	NA	MeJP	NA	NA
+MJ021291	3,18-Heneicosadiene-1,8,10,20-tetrayne 	C21H24	276.1878	NA	MeJP	NA	NA
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR501	13-HPODE F3	NA	276.206325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR501	13-HPODE F3	NA	276.206325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR501	13-HPODE F3	NA	276.206325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR501	13-HPODE F3	NA	276.206325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR501	13-HPODE F3	F3	276.206325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C16300	Stearidonic acid	C18H28O2	276.2089	NA	KEGG	NA	NA
+HMDB02697	19-Norandrosterone	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB02697	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04590	19-Nor-5-androstenediol	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB04590	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02697	19-Norandrosterone	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB02697	HMDB	NA	NA
+HMDB04590	19-Nor-5-androstenediol	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB04590	HMDB	NA	NA
+HMDB05886	19-Noretiocholanolone	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB05886	HMDB	NA	NA
+HMDB06528	clupanodonic acid	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB06528	HMDB	NA	NA
+HMDB06547	stearidonic acid C18:4	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB06547	HMDB	NA	NA
+HMDB02697	19-Norandrosterone	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB02697	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04590	19-Nor-5-androstenediol	C18H28O2	276.20892	http://www.hmdb.ca/metabolites/HMDB04590	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02697	19-Norandrosterone	C18H28O2	276.20892	HMDB02697	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04590	19-Nor-5-androstenediol	C18H28O2	276.20892	HMDB04590	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05886	19-Noretiocholanolone	C18H28O2	276.20892	HMDB05886	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06528	clupanodonic acid	C18H28O2	276.20892	HMDB06528	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06547	stearidonic acid C18:4	C18H28O2	276.20892	HMDB06547	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02697	19-Norandrosterone	C18H28O2	276.208923	NA	HMDB2010	NA	NA
+HMDB04590	19-Nor-5-androstenediol	C18H28O2	276.208923	NA	HMDB2010	NA	NA
+HMDB05886	19-Noretiocholanolone	C18H28O2	276.208923	NA	HMDB2010	NA	NA
+HMDB06547	Stearidonic acid	C18H28O2	276.208923	NA	HMDB2010	NA	NA
+MJ021292	11,13-Octadecadien-9-ynoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021293	11,17-Octadecadien-9-ynoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021294	11-Hydroxy-14,15-dinor-7,11-labdadien-13-one 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021295	14,15-Dinor-7-labdene-6,13-dione 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021296	14,15-Dinor-8-labdene-7,13-dione 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021297	18-Hydroxy-14,15-dinor-8(17),11-labdadien-13-one 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021298	3,9,12,15-Octadecatetraenoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021299	4,8,12,15-Octadecatetraenoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021300	5,9,12,15-Octadecatetraenoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021301	6,10,14-Trimethyl-5,10,13-pentadecatriene-2,12-dione 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021302	6,10,14-Trimethyl-5,9,13-pentadecatriene-2,12-dione 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021303	6,9,12,15-Octadecatetraenoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021304	7,9-Octadecadiynoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021305	8,10,12,14-Octadecatetraenoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021306	9,11,13,15-Octadecatetraenoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021307	9,11-Octadecadiynoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021308	9,14-Octadecadien-12-ynoic acid 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021309	Elisabethin C 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021310	Estr-4-ene-3,17-diol 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021311	Laipol 	C18H28O2	276.20893	NA	MeJP	NA	NA
+MJ021312	Sollasin E 	C18H28O2	276.20893	NA	MeJP	NA	NA
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR492	19-HETE F3	NA	276.214725	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR492	19-HETE F3	NA	276.214725	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR492	19-HETE F3	NA	276.214725	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR492	19-HETE F3	NA	276.214725	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR492	19-HETE F3	F3	276.214725	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ021313	3-Pyridinedodecanal; Oxime 	C17H28N2O	276.220163	NA	MeJP	NA	NA
+MJ021314	Etidocaine 	C17H28N2O	276.220163	NA	MeJP	NA	NA
+C07530	Etidocaine	C17H28N2O	276.2202	NA	KEGG	NA	NA
+C02945	3beta-Hydroxysteroid	C19H32O	276.2453	NA	KEGG	NA	NA
+C02956	7beta-Hydroxysteroid	C19H32O	276.2453	NA	KEGG	NA	NA
+C03072	3alpha-Hydroxysteroid	C19H32O	276.2453	NA	KEGG	NA	NA
+C14254	5alpha-Androstan-17beta-ol	C19H32O	276.2453	NA	KEGG	NA	NA
+C15638	5alpha-Androstan-3alpha-ol	C19H32O	276.2453	NA	KEGG	NA	NA
+MJ021315	10,13,16,18-Nonadecatetraen-1-ol 	C19H32O	276.245315	NA	MeJP	NA	NA
+MJ021316	19-Nor-3,5-clerodadien-15-ol 	C19H32O	276.245315	NA	MeJP	NA	NA
+MJ021317	2-(1-Pentadecenyl)furan 	C19H32O	276.245315	NA	MeJP	NA	NA
+MJ021318	3-Tridecylphenol 	C19H32O	276.245315	NA	MeJP	NA	NA
+HMDB05830	5a-Androstan-3b-ol	C19H32O	276.24533	http://www.hmdb.ca/metabolites/HMDB05830	HMDB	NA	NA
+HMDB05830	5a-Androstan-3b-ol	C19H32O	276.24533	HMDB05830	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05830	5a-Androstan-3b-ol	C19H32O	276.245331	NA	HMDB2010	NA	NA
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR496	8(9)-EET F3	NA	276.247825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR496	8(9)-EET F3	NA	276.247825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR496	8(9)-EET F3	NA	276.247825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR496	8(9)-EET F3	NA	276.247825	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR496	8(9)-EET F3	F3	276.247825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ021319	Niphatesine C 	C18H32N2	276.256549	NA	MeJP	NA	NA
+MJ021320	Niphatesine D 	C18H32N2	276.256549	NA	MeJP	NA	NA
+MJ021321	Theonelladine C 	C18H32N2	276.256549	NA	MeJP	NA	NA
+MJ021322	13-Ethyl-8-methylpodocarpane 	C20H36	276.281701	NA	MeJP	NA	NA
+MJ021323	3,6,9-Eicosatriene 	C20H36	276.281701	NA	MeJP	NA	NA
+MJ021324	Rosane 	C20H36	276.281701	NA	MeJP	NA	NA
+3774	PEP inhibitor	MPPPL	276.6402	MH2+	Inhouse_peptide	NA	peptide
+3775	PEP inhibitor	MPPLP	276.6402	MH2+	Inhouse_peptide	NA	peptide
+3042	inhibitor of fibrinogen and thrombin coagulation	GPRGPA	276.642	MH2+	Inhouse_peptide	NA	peptide
+MJ021325	(3,5,6-Trichloro-2-pyridinyl)phosphonic acid 	C5H3Cl3NO4P	276.886527	NA	MeJP	NA	NA
+MJ021326	10-Chloro-5,10-dihydrophenarsazine 	C12H9AsClN	276.963948	NA	MeJP	NA	NA
+MJ021327	Fenitrothion 	C9H12NO5PS	277.017379	NA	MeJP	NA	NA
+C14442	Fenitrothion	C9H12NO5PS	277.0174	NA	KEGG	NA	NA
+MetaCyc02480	N'-phosphoguanidinoethyl methyl phosphate [[N-[2-(hydroxy-methoxy-phosphinoyl)oxyethyl]carbamimidoyl] aminophosphonic acid;]	C4H13N3O7P2	277.022873	NA	metacyc	NA	NA
+C04503	N'-Phosphoguanidinoethyl methyl phosphate	C4H13N3O7P2	277.0229	NA	KEGG	NA	NA
+C04504	N3'-Acetyl-2-deoxystreptamine antibiotic	C8H14N2O4R2	277.0229	NA	KEGG	NA	NA
+C04505	Polysialic acid acetylated at O-7	C8H14N2O4R2	277.0229	NA	KEGG	NA	NA
+C04506	Protein C-terminal S-farnesyl-L-cysteine	C20H33N2O3SR	277.0229	NA	KEGG	NA	NA
+MJ021328	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3'-O-Sulfate 	C9H11NO7S	277.025622	NA	MeJP	NA	NA
+MJ021329	Pluracidomycin D 	C9H11NO7S	277.025622	NA	MeJP	NA	NA
+HMDB02028	DOPA sulfate	C9H11NO7S	277.02563	http://www.hmdb.ca/metabolites/HMDB02028	HMDB	NA	NA
+HMDB02028	DOPA sulfate	C9H11NO7S	277.02563	HMDB02028	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02028	DOPA sulfate	C9H11NO7S	277.025635	NA	HMDB2010	NA	NA
+MJ021330	Alipamide 	C9H12ClN3O3S	277.028789	NA	MeJP	NA	NA
+MJ021331	Azathioprine 	C9H7N7O2S	277.038193	NA	MeJP	NA	NA
+C06837	Azathioprine	C9H7N7O2S	277.0382	NA	KEGG	NA	NA
+MJ021332	Neridronic acid 	C6H17NO7P2	277.048024	NA	MeJP	NA	NA
+MJ021333	Arprinocid 	C12H9ClFN5	277.053051	NA	MeJP	NA	NA
+MJ021334	Salfredin C1 	C13H11NO6	277.058637	NA	MeJP	NA	NA
+MetaCyc02481	2-phthalimidoglutarate [2-Phthalimidoglutaric acid;2-(1,3-dioxoisoindol-2-yl)glutaric acid;L-2-Phthalimidoglutaric acid;N-Phthaloyl-L-glutamic acid;N-Phthalyl-L-glutamic acid;Phthaloyl-L-glutamic acid;]	C13H11N1O6	277.058637	340-90-9	metacyc	NA	NA
+C08249	Pyrimidine 5'-deoxynucleotide	C9H14N2O6P	277.0589	NA	KEGG	NA	NA
+MJ021335	Liriodendronine; O1-Me 	C17H11NO3	277.073893	NA	MeJP	NA	NA
+MJ021336	2,10,13-Trihydroxydibenzo[a,g]quinolizinium(1+) 	C17H12NO3(+)	277.073893	NA	MeJP	NA	NA
+MJ021337	Lycomarasmine 	C9H15N3O7	277.090999	NA	MeJP	NA	NA
+C08496	Lycomarasmine B	C9H15N3O7	277.091	NA	KEGG	NA	NA
+PJ000149	GSD 	C9H15N3O7	277.091	NA	PeJP	NA	NA
+MJ021338	1-(Acetoxymethyl)-2-formyl-1,2-dihydro-5-hydroxy-7-methoxyisoquinoline 	C14H15NO5	277.095022	NA	MeJP	NA	NA
+MJ021339	Antibiotic MBP 039-06 	C14H15NO5	277.095022	NA	MeJP	NA	NA
+MJ021340	Folescutol 	C14H15NO5	277.095022	NA	MeJP	NA	NA
+MJ021341	Spirostaphylotrichin G 	C14H15NO5	277.095022	NA	MeJP	NA	NA
+MJ021342	Triticone A 	C14H15NO5	277.095022	NA	MeJP	NA	NA
+MJ021343	Ethylmethylthiambutene 	C15H19NS2	277.09589	NA	MeJP	NA	NA
+C10948	Metazachlor	C14H16ClN3O	277.0982	NA	KEGG	NA	NA
+PJ000150	QM 	C10H19N3O4S	277.1096	NA	PeJP	NA	NA
+MJ021344	2-(3,4-Dihydroxyphenethyl)quinoline; Methylene ether 	C18H15NO2	277.110278	NA	MeJP	NA	NA
+MJ021345	2-Cyano-3,3-diphenyl-2-propenoic acid; Et ester 	C18H15NO2	277.110278	NA	MeJP	NA	NA
+MJ021346	Dehydroroemerine 	C18H15NO2	277.110278	NA	MeJP	NA	NA
+MJ021347	Murrayacine 	C18H15NO2	277.110278	NA	MeJP	NA	NA
+MJ021348	Otanthusic acid, 2-Methylpropylamide 	C15H19NO2S	277.113649	NA	MeJP	NA	NA
+MJ021349	2,3-Dihydroxy-3-methylbutanoic acid, Nitrile, 2-O-?-D-glucopyranoside 	C11H19NO7	277.116151	NA	MeJP	NA	NA
+MJ021350	Fructose amino acids; Fructoseproline 	C11H19NO7	277.116151	NA	MeJP	NA	NA
+C04424	S-(2-Methylpropanoyl)-dihydrolipoamide	C12H23NO2S2	277.117	NA	KEGG	NA	NA
+MJ021351	S-(2-Methylpropanoyl)-dihydrolipoamide 	C12H23NO2S2	277.11702	NA	MeJP	NA	NA
+MetaCyc02482	S-(2-methylpropanoyl)-dihydrolipoamide [S-(2-methylpropionyl)-dihydrolipoamide;]	C12H23N1O2S2	277.11702	NA	metacyc	NA	NA
+HMDB06868	S-(2-Methylpropionyl)-dihydrolipoamide-E	C12H23NO2S2	277.117035	NA	HMDB2010	NA	NA
+MJ021352	6'-C-Methylneplanocin A 	C12H15N5O3	277.117489	NA	MeJP	NA	NA
+MJ021353	Entecavir 	C12H15N5O3	277.117489	NA	MeJP	NA	NA
+MetaCyc02483	queuine [7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine;base Q;4H-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-5-((((1S,4S,5R)-4,5-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-1,7-dihydro-;]	C12H15N5O3	277.117489	NA	metacyc	NA	NA
+HMDB01495	Queuine	C12H15N5O3	277.11749	http://www.hmdb.ca/metabolites/HMDB01495	HMDB	NA	NA
+HMDB01495	Queuine	C12H15N5O3	277.11749	HMDB01495	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01495	Queuine	C12H15N5O3	277.117493	NA	HMDB2010	NA	NA
+C01449	Queuine	C12H15N5O3	277.1175	NA	KEGG	NA	NA
+C01450	Ketone	COR2	277.1175	NA	KEGG	NA	NA
+PJ000151	CR 	C9H19N5O3S	277.1209	NA	PeJP	NA	NA
+MJ021354	Coelenteramine 	C17H15N3O	277.121512	NA	MeJP	NA	NA
+PJ000152	GTT 	C10H19N3O6	277.1274	NA	PeJP	NA	NA
+3309	NA	LPYY	277.131	MH2+	Inhouse_peptide	NA	peptide
+3310	NA	LYPY	277.131	MH2+	Inhouse_peptide	NA	peptide
+7890	NA	YLYP	277.131	MH2+	Inhouse_peptide	NA	peptide
+MJ021355	1H-Indole-3-carboxylic acid; N-(2,3-Dihydroxy-1,1-dimethylpropyl)(S-), Me ester 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021356	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,4-Methylene, 5-Me ether, 2-methylpropylamide 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021357	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Benzoyl 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021358	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 6-O-Benzoyl 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021359	Cichorine; O-(4-Hydroxy-3-methyl-2-butenyl)(Z-) 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021360	Convolvine; O4'-De-Me 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021361	Fusarochromanone; 3'-Deamino 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021362	Haplafine; N-Me, 2',3'-Dihydroxy 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021363	Obscurolide A3 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021364	Obscurolide B3 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021365	Peyoglutam; Me ether 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+MJ021366	Pinthunamide 	C15H19NO4	277.131408	NA	MeJP	NA	NA
+PJ000153	KM 	C11H23N3O3S	277.146	NA	PeJP	NA	NA
+MJ021367	2,4-Undecadiene-8,10-diynoic acid, 2-Phenylethylamide 	C19H19NO	277.146664	NA	MeJP	NA	NA
+MJ021368	3,5-Undecadiene-8,10-diynoic acid, 2-Phenylethylamide 	C19H19NO	277.146664	NA	MeJP	NA	NA
+MJ021369	Maroxepin 	C19H19NO	277.146664	NA	MeJP	NA	NA
+3255	beta-lactorphin (102-105) ACE inhibitor	YLLF	277.1495	MH2+	Inhouse_peptide	NA	peptide
+3256	beta-lactorphin (102-105)	YLLF	277.1495	MH2+	Inhouse_peptide	NA	peptide
+MJ021370	4-Amino-4,6-dideoxy-3-C-methylmannose, 2-Me, N-(2-methoxypropanoyl) 	C12H23NO6	277.152537	NA	MeJP	NA	NA
+CJneg0491	Butyrylcarnitine [(M-H)+(HCOOH)]-	C12H22NO6	277.153125	C18rt(min)=4.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0491	Butyrylcarnitine [(M-H)+(HCOOH)]-	C12H22NO6	277.153125	C18rt(min)=4.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ021371	Antibiotic Tu 1718B 	C11H23N3O5	277.16377	NA	MeJP	NA	NA
+MJ021372	3,4-Dihydroxybenzylamine; 3-Me ether, N-(6-methyl-4E-heptenoyl) 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021373	8-Methylpyridoxatin 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021374	Acetamidoeugenol 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021375	Antibiotic PF 1140 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021376	Dendrobine, 11-Oxo 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021377	Lasubine I; 9a-Epimer, O3'-de-Me 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021378	Lasubine I; O3'-De-Me 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021379	Lycopodium Base 168 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021380	Mesembrenol; O4'-De-Me, 4,5-dihydro 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021381	Mesembrine, 6?-Alcohol, N-de-Me 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021382	Pargolol 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021383	Pranosal 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021384	Pribecaine 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021385	Rudrakine 	C16H23NO3	277.167793	NA	MeJP	NA	NA
+MJ021386	C-Alkaloid J 	C19H21N2	277.170473	NA	MeJP	NA	NA
+MJ021387	Procainamide; N4-Ac 	C15H23N3O2	277.179026	NA	MeJP	NA	NA
+MJ021388	Litracen 	C20H23N	277.183049	NA	MeJP	NA	NA
+MJ021389	Maprotiline 	C20H23N	277.183049	NA	MeJP	NA	NA
+MJ021390	Nortriptyline; N-Me 	C20H23N	277.183049	NA	MeJP	NA	NA
+C06824	Amitriptyline	C20H23N	277.1831	NA	KEGG	NA	NA
+C07107	Maprotiline	C20H23N	277.1831	NA	KEGG	NA	NA
+C16659	2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine	C20H23N	277.1831	NA	KEGG	NA	NA
+MetaCyc02484	EHNA [9-erythro-(2-hydroxy-3-nonyl)adenine;3-(6-aminopurin-9-yl)nonan-2-ol;]	C14H23N5O1	277.19026	NA	metacyc	NA	NA
+MJ021391	1-[(2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy]3-[(1-methylethyl)amino]-2-butanol 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021392	2-(Diethylaminoethyl) 2-phenylpentanoate 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021393	2-[2-(Dimethylamino)ethyl]-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-6-ol 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021394	4-(Dimethylamino)benzoic acid; 2-Ethylhexyl ester 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021395	Lelobanidine, N-De-Me 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021396	Lycopaniculatine 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021397	Lycopodium Base V 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021398	Sedinine; 3,4-Dihydro 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021399	Stenine 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021400	Venlafaxine 	C17H27NO2	277.204179	NA	MeJP	NA	NA
+MJ021401	Dendrobine, N-Me 	C17H28NO2(+)	277.204179	NA	MeJP	NA	NA
+HMDB05016	Venlafaxine	C17H27NO2	277.20419	http://www.hmdb.ca/metabolites/HMDB05016	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05016	Venlafaxine	C17H27NO2	277.20419	http://www.hmdb.ca/metabolites/HMDB05016	HMDB	NA	NA
+HMDB05016	Venlafaxine	C17H27NO2	277.20419	http://www.hmdb.ca/metabolites/HMDB05016	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05016	Venlafaxine	C17H27NO2	277.20419	HMDB05016	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05016	Venlafaxine	C17H27NO2	277.204193	NA	HMDB2010	NA	NA
+C07187	Venlafaxine	C17H27NO2	277.2042	NA	KEGG	NA	NA
+MJ021402	2,4,8-Tetradecatrienoic acid, 2-Methylpropylamide 	C18H31NO	277.240564	NA	MeJP	NA	NA
+MJ021403	2,4-Tetradecadienoic acid, Pyrrolidide 	C18H31NO	277.240564	NA	MeJP	NA	NA
+MJ021404	2-Amino-5,9,12,15,17-octadecapentaen-3-ol, 17,18-Dihydro 	C18H31NO	277.240564	NA	MeJP	NA	NA
+MJ021405	Amaminol A 	C18H31NO	277.240564	NA	MeJP	NA	NA
+MJ021406	Cryptophorine; 7',8'-Dihydro, Me ether 	C18H31NO	277.240564	NA	MeJP	NA	NA
+MJ021407	Lepadin B 	C18H31NO	277.240564	NA	MeJP	NA	NA
+MJ021408	2,5-Dialkylpyrrolidines; 2-Hexyl-5-nonylpyrrolidine, 5',6',8'',9''-Tetradehydro 	C19H35N	277.27695	NA	MeJP	NA	NA
+MJ021409	2-(5-Hexenyl)-3,4-dihydro-5-nonyl-2H-pyrrole 	C19H35N	277.27695	NA	MeJP	NA	NA
+MJ021410	3,4-Dihydro-5-(5-hexenyl)-2-nonyl-2H-pyrrole 	C19H35N	277.27695	NA	MeJP	NA	NA
+MJ021411	Perhexiline 	C19H35N	277.27695	NA	MeJP	NA	NA
+2879	opioid fragment of beta-lipotropin L-enkephalin	YGGFL	277.6285	MH2+	Inhouse_peptide	NA	peptide
+8122	secretory peptide hormone - (Leu)enkephalin	YGGFL	277.6285	MH2+	Inhouse_peptide	NA	peptide
+HMDB01045	Enkephalin L	C28H37N5O7	277.6346435	MH2+	Inhouse_peptide	NA	peptide
+3793	NA	QRPR	277.656	MH2+	Inhouse_peptide	NA	peptide
+MJ021412	Tribromoacetaldehyde 	C2HBr3O	277.757752	NA	MeJP	NA	NA
+MJ021413	3,5-Dibromo-2-hydroxybenzaldehyde 	C7H4Br2O2	277.857804	NA	MeJP	NA	NA
+MJ021414	3,5-Dibromo-4-hydroxybenzaldehyde 	C7H4Br2O2	277.857804	NA	MeJP	NA	NA
+MJ021415	2,3-Diphosphonobutanedioic acid 	C4H8O10P2	277.959269	NA	MeJP	NA	NA
+MJ021416	Chondrocole A; 1-Oxo 	C10H12BrClO2	277.970919	NA	MeJP	NA	NA
+MJ021417	2,2':5',2''-Terthiophene-5-methanol 	C13H10OS3	277.989377	NA	MeJP	NA	NA
+MJ021418	3'-Methoxy-2,2';5',2''-terthiophene 	C13H10OS3	277.989377	NA	MeJP	NA	NA
+MJ021419	2-Methyl-1,2,3,4-butanetetrol, 2,4-Cyclic pyrophosphate 	C5H12O9P2	277.995655	NA	MeJP	NA	NA
+MetaCyc02485	2-C-methyl-D-erythritol-2,4-cyclodiphosphate [ME-2,4cPP;]	C5H12O9P2	277.995655	NA	metacyc	NA	NA
+C11453	2-C-Methyl-D-erythritol 2,4-cyclodiphosphate	C5H12O9P2	277.9957	NA	KEGG	NA	NA
+MJ021420	?-Oxo-5'-(1-propynyl)[2,2'-bithiophene]-5-acetic acid; 1''-Alcohol 	C13H10O3S2	278.007135	NA	MeJP	NA	NA
+MJ021421	3,5-Dichloro-2-hydroxy-4-methoxy-6-propylbenzoic acid 	C11H12Cl2O4	278.011264	NA	MeJP	NA	NA
+MJ021422	Threitol, 1,4-Dimesyl 	C6H14O8S2	278.013008	NA	MeJP	NA	NA
+C14420	Fenthion	C10H15O3PS2	278.02	NA	KEGG	NA	NA
+MJ021423	Fenthion 	C10H15O3PS2	278.020022	NA	MeJP	NA	NA
+MJ021424	Merisoprol 	C3H8HgO2	278.023055	NA	MeJP	NA	NA
+MJ021425	Dibenzyl trisulfide 	C14H14S3	278.025762	NA	MeJP	NA	NA
+MJ021426	Acecarbromal 	C9H15BrN2O3	278.026605	NA	MeJP	NA	NA
+C16551	Alcophosphamide	C7H17Cl2N2O3P	278.0354	NA	KEGG	NA	NA
+C16558	Alcoifosfamide	C7H17Cl2N2O3P	278.0354	NA	KEGG	NA	NA
+MJ021427	Cartasteine 	C9H14N2O4S2	278.039498	NA	MeJP	NA	NA
+MJ021428	2,3,3',4,4',5'-Hexahydroxybenzophenone 	C13H10O7	278.042652	NA	MeJP	NA	NA
+MJ021429	2,3,4,6-Tetrahydroxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid; 3-Me ether 	C13H10O7	278.042652	NA	MeJP	NA	NA
+MJ021430	2,5,6,7,8-Pentahydroxy-3-methylnaphthoquinone; 6,7-Methylene, 8-Me ether 	C13H10O7	278.042652	NA	MeJP	NA	NA
+MJ021431	2-Acetyl-3,5,6,8-tetrahydroxy-7-methyl-1,4-naphthoquinone 	C13H10O7	278.042652	NA	MeJP	NA	NA
+MJ021432	Imidazole mustard 	C8H12Cl2N6O	278.044964	NA	MeJP	NA	NA
+MJ021433	Dithyreanitrile 	C13H14N2OS2	278.054754	NA	MeJP	NA	NA
+FL1AA9NF0001	4-Hydroxyfurano[2'',3'':6,7]aurone	C17H10O4	278.0579	61755-72-4	knapsack	NA	NA
+FL3FA9NF0001	Pongaglabol;5-Hydroxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one	C17H10O4	278.0579	75666-79-4	knapsack	NA	NA
+FLIDWXNF0001	Neorauteen	C17H10O4	278.0579	53766-54-4	knapsack	NA	NA
+MJ021434	2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one; 4-Hydroxy 	C17H10O4	278.057908	NA	MeJP	NA	NA
+MJ021435	Isopongaglabol 	C17H10O4	278.057908	NA	MeJP	NA	NA
+MJ021436	Karanjonol 	C17H10O4	278.057908	NA	MeJP	NA	NA
+MJ021437	Neodunol; 6a,11a-Didehydro 	C17H10O4	278.057908	NA	MeJP	NA	NA
+MJ021438	Pongaglabol 	C17H10O4	278.057908	NA	MeJP	NA	NA
+MJ021439	Pongol 	C17H10O4	278.057908	NA	MeJP	NA	NA
+MJ021440	3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 1'-O-?-D-Xylopyranoside 	C10H14O9	278.063782	NA	MeJP	NA	NA
+MetaCyc02486	hexane-6-ol-1,3,4,6-tetracarboxylate []	C10H14O9	278.063782	NA	metacyc	NA	NA
+MJ021441	Antibiotic FR 900148 	C10H15ClN2O5	278.066949	NA	MeJP	NA	NA
+MJ021442	12-Bromo-4(13),6,9-lauratriene; 8,11-Didehydro 	C15H19Br	278.067013	NA	MeJP	NA	NA
+MJ021443	Flazin; De(hydroxymethyl) 	C16H10N2O3	278.069142	NA	MeJP	NA	NA
+MJ021444	Imbiline 1; N-De-Me 	C16H10N2O3	278.069142	NA	MeJP	NA	NA
+MJ021445	2-Oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 3-Chloro 	C15H15ClO3	278.070972	NA	MeJP	NA	NA
+MJ021446	Aspergillomarasmine B 	C9H14N2O8	278.075015	NA	MeJP	NA	NA
+MJ021447	3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine 	C13H9F3N4	278.07793	NA	MeJP	NA	NA
+MJ021448	2-Ethyl-3,5,6,8-tetrahydroxy-7-methyl-1,4-naphthoquinone; 6-Me ether 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021449	4,4'-Dimethyl-2,2',3,3',6,6'-biphenylhexol 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021450	6-(1-Hydroxyethyl)-5-hydroxy-2,7-dimethoxy-1,4-naphthoquinone 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021451	Citreoisocoumarinol; 2'-Ketone 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021452	Citreoisocoumarinol; 4'-Ketone 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021453	Coumarleucasin 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021454	Plumericin; 11S,13-Dihydro, parent acid 	C14H14O6	278.079038	NA	MeJP	NA	NA
+MJ021455	Didemnimide A 	C15H10N4O2	278.080375	NA	MeJP	NA	NA
+7839	ACE inhibitor	ME	278.0824	immunomodulating	Inhouse_peptide	NA	peptide
+MJ021456	Sulfadimidine 	C12H14N4O2S	278.083746	NA	MeJP	NA	NA
+MJ021457	Sulfisomidine 	C12H14N4O2S	278.083746	NA	MeJP	NA	NA
+MJ021458	Antibiotic RK 1441A; 11-Ketone, 3-O-de-Me 	C13H14N2O5	278.090271	NA	MeJP	NA	NA
+MJ021459	Pukeleimide 	C13H14N2O5	278.090271	NA	MeJP	NA	NA
+MJ021460	N-?-Glutamylmethionine; L-L-form 	C10H18N2O5S	278.093642	NA	MeJP	NA	NA
+PJ000154	EM 	C10H18N2O5S	278.0937	NA	PeJP	NA	NA
+FL1C19NF0002	Ovalitenin A	C18H14O3	278.09429	64280-20-2	knapsack	NA	NA
+MJ021461	Dehydrocycloguanandin; Deoxy 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021462	Isotanshinone I; 15,16-Dihydro 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021463	Isotanshinone II; 15,16-Dihydro 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021464	Methylenetanshinquinone 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021465	Ovalitenin A 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021466	Tanshinone I; 1,2-Dihydro 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021467	Tanshinone I; 15,16-Dihydro 	C18H14O3	278.094294	NA	MeJP	NA	NA
+MJ021468	3-Ethyl-7-isopropyl-1-azulenesulfonic acid 	C15H18O3S	278.097665	NA	MeJP	NA	NA
+MJ021469	5-Isopropyl-3,8-dimethyl-1-azulenesulfonic acid 	C15H18O3S	278.097665	NA	MeJP	NA	NA
+HMDB02091	Isovalerylglucuronide	C11H18O8	278.100159	NA	HMDB2010	NA	NA
+HMDB02091	Isovalerylglucuronide	C11H18O8	278.10016	http://www.hmdb.ca/metabolites/HMDB02091	HMDB	NA	NA
+HMDB02091	Isovalerylglucuronide	C11H18O8	278.10016	HMDB02091	PFEM_hmdb_metabocards_official	NA	NA
+MJ021470	4-Hydroxy-2-methylenebutanoic acid; ?-D-Glucopyranosyl ester 	C11H18O8	278.100167	NA	MeJP	NA	NA
+MJ021471	6-Tuliposide A 	C11H18O8	278.100167	NA	MeJP	NA	NA
+C08561	Tuliposide A	C11H18O8	278.1002	NA	KEGG	NA	NA
+MJ021472	6-(1-Oxopropyl)-2,4(1H,3H)-pteridinedione; 1,3-Di-Me, 3'-methoxy 	C12H14N4O4	278.101504	NA	MeJP	NA	NA
+MJ021473	Bimakalim 	C17H14N2O2	278.105527	NA	MeJP	NA	NA
+MJ021474	Cyclopeptine, 3,10-Didehydro 	C17H14N2O2	278.105527	NA	MeJP	NA	NA
+MJ021475	Dragabine; N-De-Me 	C17H14N2O2	278.105527	NA	MeJP	NA	NA
+MJ021476	Luotonin D 	C17H14N2O2	278.105527	NA	MeJP	NA	NA
+MJ021477	Oxapadol 	C17H14N2O2	278.105527	NA	MeJP	NA	NA
+MJ021478	Clidanac 	C16H19ClO2	278.107357	NA	MeJP	NA	NA
+C14325	Dibenz[a,h]anthracene	C22H14	278.1096	NA	KEGG	NA	NA
+3666	ACE inhibitor	YP	278.115	ACE inhibitor	Inhouse_peptide	NA	peptide
+C09302	Artecanin	C15H18O5	278.1154	NA	KEGG	NA	NA
+C09354	Canin	C15H18O5	278.1154	NA	KEGG	NA	NA
+C09363	Conchosin A	C15H18O5	278.1154	NA	KEGG	NA	NA
+C09379	Coriamyrtin	C15H18O5	278.1154	NA	KEGG	NA	NA
+C09485	Isohelenol	C15H18O5	278.1154	NA	KEGG	NA	NA
+C09983	Zinnolide	C15H18O5	278.1154	NA	KEGG	NA	NA
+MJ021479	1,10-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021480	1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Deoxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021481	1,10:8,14-Diepoxy-14-hydroxy-4,11(13)-germacradien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021482	1,13-Dihydroxy-4-oxo-2,7(11)-pseudoguaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021483	1,2-Epoxy-10-hydroxy-5-oxo-3,11(13)-germacradien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021484	1,2:3,4-Diepoxy-10-hydroxy-11(13)-guaien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021485	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Ketone 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021486	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021487	1,4,8-Trihydroxy-2,9,11(13)-guaiatrien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021488	1,4-Dihydroxy-2,11(13)-eudesmadien-12,6-olide, 1-Ketone, 4-hydroperoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021489	1,4-Epidioxy-4,5-epoxy-2,11(13)-xanthadien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021490	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Deoxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021491	1,5-Dihydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021492	1,5-Dihydroxy-2-oxo-4(15),11(13)-eudesmadien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021493	1,8-Dihydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021494	1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021495	1-O-Coumaroylglycerol, 2,3-O-Isopropylidene 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021496	1-Oxo-2,4-eudesmadien-12,6-olide, 2?,3?:4?,5?-Diepoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021497	10,14-Epoxy-4-oxo-12,6-pseudoguaianolide; 1-Hydroxy, 11,13-didehydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021498	10,14-Epoxy-4-oxo-12,6-pseudoguaianolide; 1-Hydroxy, 2,3-didehydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021499	10,15-Dihydroxy-2-oxo-3-guaien-12,6-olide, 11,13-Didehydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021500	11-Hydroxy-1,12-dioxo-7-drimen-15,11-olide; 11?-form 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021501	11-Hydroxy-12-methoxydihydrokawain 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021502	13-Hydroxyripariochromene A; 7-Me ether 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021503	15-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,8-diolide, 11?,13-Dihydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021504	2,14-Epoxy-1-hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021505	2,3-Epoxy-1,4-dihydroxy-7(11),8-eudesmadien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021506	2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021507	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 4-Me ether, 1-O-(2,3-epoxy-2-methylbutanoyl) 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021508	2-Hydroxy-8,12-dioxo-4,11(13)-bulgaradien-15-oic acid 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021509	3,4-Epoxy-1,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021510	3,8-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021511	3-Hydroxy-1(10),4-germacradiene-12,8:15,6-diolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021512	4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021513	4,8-Dihydroxy-1-oxo-2,11(13)-eudesmadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021514	5,10-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021515	5,6-Epoxy-11,6:15,12-pinguisanediolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021516	5,6-Epoxy-11-hydroxy-1-oxo-3-eudesmen-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021517	5-Acetyl-2,3-dihydro-3,6,7-trihydroxy-2-isopropenylbenzofuran, 3,7-Di-Me ether 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021518	5-Hydroxy-14-oxo-7-marasmen-15,5-olide; 5?-form, 9?-Hydroxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021519	5-Hydroxy-2,6,10-farnesatriene-1,15:13,9-diolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021520	6,10-Dihydroxy-3-oxo-7(11),8-eremophiladien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021521	6,13-Dihydroxy-4-oxo-2,7(11)-pseudoguaiadien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021522	6,9-Dihydroxy-4-oxo-1(5),2,11(13)-xanthatrien-12,8-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021523	6,9-Dihydroxy-9-furanoeremophilen-15-oic acid; 6?-form 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021524	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Epoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021525	7(6?5)-Abeo-10,11-epoxy-6,11:15,12-pinguisanediolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021526	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(4-Hydroxy-3-methylbutyl), O7-Me 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021527	7,8-Epoxy-12,8:15,6-eremophilanediolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021528	7-Eremophilene-12,8:15,6-diolide, 7?,8?-Epoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021529	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(4-Hydroxy-3-methylbutyl) 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021530	8,10,15-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 15-Aldehyde 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021531	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021532	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021533	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021534	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021535	8-Acetyl-5,6,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran; 5,6-Di-Me ether 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021536	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 11?,13-Dihydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021537	8-Hydroxy-1-oxo-2,4-eudesmadien-12,6-olide, 4?,5?-Epoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021538	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021539	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 1?,10?-epoxide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021540	8-Hydroxy-7(11)-eremophilene-12,8:15,6-diolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021541	9,13-Dihydroxy-2-oxo-4(15),10(14)-guaiadien-12,6-olide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021542	Achimilic acid 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021543	Achimillic acid A 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021544	Antheindurolide B 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021545	Arteludovicinolide B; 2-Deoxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021546	Arteminone 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021547	Artemisia rutifolia Lactone 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021548	Asperdurin 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021549	Bissecotanapartholide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021550	Coriamyrtin 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021551	Dendryol B; 3-Deoxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021552	Dictamdiol 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021553	Dihydrofuscin 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021554	Dihydrosecofuscidin 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021555	Evodione; 5-O-De-Me 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021556	Goniodiol; 5?-Ethoxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021557	Goniofupyrone; 7-Et ether 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021558	Illudoic acid 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021559	Isosecotanapartholide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021560	Lagopodin A; 2,5-Dihydroxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021561	Marasmone 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021562	Melicophyllone A; 7?,8?-Dihydroxy 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021563	Mexicanin H 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021564	Murrangatin, 3',4'-Dihydro 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021565	Paniculide A; 15-Hydroxy, 8-ketone 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021566	Pentalenolactone F 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021567	Peucedanol, 7-Me ether 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021568	Pulvilloric acid 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021569	Secotanapartholide A 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021570	Sericealactone; O-De-Me 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021571	Tanaphillin 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021572	Zinnolide 	C15H18O5	278.115423	NA	MeJP	NA	NA
+MJ021573	Adibendan 	C16H14N4O	278.116761	NA	MeJP	NA	NA
+MJ021574	Xestomanzamine A; 3,4-Dihydro 	C16H14N4O	278.116761	NA	MeJP	NA	NA
+C17230	2-(7'-Methylthio)heptylmalic acid	C12H22O5S	278.1188	NA	KEGG	NA	NA
+C17231	3-(7'-Methylthio)heptylmalic acid	C12H22O5S	278.1188	NA	KEGG	NA	NA
+HMDB11112	N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole	C14H18N2O4	278.126648	NA	HMDB2010	NA	NA
+HMDB11176	L-phenylalanyl-L-hydroxyproline	C14H18N2O4	278.126648	NA	HMDB2010	NA	NA
+MJ021575	3-Hydroxy-3-[(4-methoxyphenyl)methyl]-1,4-dimethyl-2,5-piperazinedione 	C14H18N2O4	278.126657	NA	MeJP	NA	NA
+MJ021576	Mofoxime 	C14H18N2O4	278.126657	NA	MeJP	NA	NA
+MJ021577	Ribazole; ?-D-form 	C14H18N2O4	278.126657	NA	MeJP	NA	NA
+MJ021578	Ribazole; ?-D-form 	C14H18N2O4	278.126657	NA	MeJP	NA	NA
+MJ021579	N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole 	C14H18N2O4	278.126657	NA	MeJP	NA	NA
+MJ021580	alpha-Ribazole 	C14H18N2O4	278.126657	NA	MeJP	NA	NA
+MetaCyc02487	&alpha;-ribazole [N1-(&alpha;-D-ribosyl)-5,6-dimethylbenzimidazole;]	C14H18N2O4	278.126657	NA	metacyc	NA	NA
+C05775	alpha-Ribazole	C14H18N2O4	278.1267	NA	KEGG	NA	NA
+C05776	Vitamin B12	C62H88CoN13O14PR	278.1267	NA	KEGG	NA	NA
+PJ000155	PY 	C14H18N2O4	278.1267	NA	PeJP	NA	NA
+C00831	Pantetheine	C11H22N2O4S	278.13	NA	KEGG	NA	NA
+MJ021581	Pantetheine 	C11H22N2O4S	278.130027	NA	MeJP	NA	NA
+MetaCyc02488	panthetheine [Penthetheine;]	C11H22N2O4S1	278.130028	NA	metacyc	NA	NA
+MetaCyc02489	pantetheine [pantotheine;]	C11H22N2O4S1	278.130028	496-65-1	metacyc	NA	NA
+HMDB03426	Pantetheine	C11H22N2O4S	278.130035	NA	HMDB2010	NA	NA
+HMDB03426	Pantetheine	C11H22N2O4S	278.13004	http://www.hmdb.ca/metabolites/HMDB03426	HMDB	NA	NA
+HMDB03426	Pantetheine	C11H22N2O4S	278.13004	HMDB03426	PFEM_hmdb_metabocards_official	NA	NA
+MJ021582	3',4',5,7-Tetramethylflavone 	C19H18O2	278.130679	NA	MeJP	NA	NA
+MJ021583	7,16-Epoxy-20-nor-5(10),6,8,11,13-cleistanthapentaen-3-one; 1,2-Didehydro 	C19H18O2	278.130679	NA	MeJP	NA	NA
+MJ021584	Eupomatenoid 6; Me ether 	C19H18O2	278.130679	NA	MeJP	NA	NA
+MJ021585	Tigmobiose 	C12H22O7	278.136553	NA	MeJP	NA	NA
+MJ021586	Lomifylline 	C13H18N4O3	278.13789	NA	MeJP	NA	NA
+MJ021587	Pentoxifylline 	C13H18N4O3	278.13789	NA	MeJP	NA	NA
+MetaCyc02490	N-benzoyl-D-arginine []	C13H18N4O3	278.13789	NA	metacyc	NA	NA
+C03001	N-Benzoyl-D-arginine	C13H18N4O3	278.1379	NA	KEGG	NA	NA
+C07424	Pentoxifylline	C13H18N4O3	278.1379	NA	KEGG	NA	NA
+MJ021588	9-Methoxyellipticine; 1,2-Dihydro 	C18H18N2O	278.141913	NA	MeJP	NA	NA
+MJ021589	Azanator 	C18H18N2O	278.141913	NA	MeJP	NA	NA
+MJ021590	Demexiptiline 	C18H18N2O	278.141913	NA	MeJP	NA	NA
+MJ021591	Mariptiline 	C18H18N2O	278.141913	NA	MeJP	NA	NA
+MJ021592	Proquazone 	C18H18N2O	278.141913	NA	MeJP	NA	NA
+MJ021593	Fluzoperine 	C15H19FN2O2	278.143056	NA	MeJP	NA	NA
+HMDB01518	Alpha-CEHC	C16H22O4	278.151794	NA	HMDB2010	NA	NA
+HMDB13248	Monoethylhexyl phthalic acid	C16H22O4	278.151794	NA	HMDB2010	NA	NA
+C03343	2-Ethylhexyl phthalate	C16H22O4	278.1518	NA	KEGG	NA	NA
+C14214	Dibutyl phthalate	C16H22O4	278.1518	NA	KEGG	NA	NA
+C15205	Diisobutyl phthalate	C16H22O4	278.1518	NA	KEGG	NA	NA
+MJ021594	1,2-Benzenedicarboxylic acid; Dibutyl ester 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021595	1,2-Dihydroxy-1,3,5-herbertatrien-12-al, 12-Carboxylic acid, Me ester 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021596	1,9-Dioxo-2,10-bisaboladien-15-oic acid, Me ester 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021597	1-Hydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 1-Carboxylic acid, Me ester 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021598	13-Hydroxy-4-oxo-2-pseudoguaien-12,6-olide, Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021599	2,5-Dihydroxy-1(10),3-guaiadien-12,6-olide, 2-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021600	2-(2-Hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone; Ac 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021601	2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-butanone 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021602	2-Oxomicrocionin 2-lactone; Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021603	5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tri-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021604	5,7-Dihydroxy-6-isobutyryl-2,2-dimethylchroman; 7-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021605	5,7-Dihydroxy-8-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tri-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021606	5,7-Dihydroxy-8-isobutyryl-2,2-dimethylchroman; 7-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021607	6,10-Dihydroxy-7(11),8-eremophiladien-12,8-olide, 6-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021608	6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 6-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021609	6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021610	6-Hydroxy-3-oxo-5(10)-pinguisen-11,6-olide, Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021611	8,12-Epoxy-7,8-dihydroxy-1,9-eremophiladien-3-one, 8-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021612	8-Hydroxy-1(10),7(11)-eremophiladien-12,8-olide; 8àOH-form, 1?,10?-Epoxide, Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021613	Acrostalidic acid 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021614	Brefeldin A; 7-Ketone 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021615	Cordallinol 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021616	Cyclocordallinol 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021617	Emmotin A 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021618	Emmotin Z; 3-Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021619	Furodysinin lactone; 8?-Hydroxy, Me ether 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021620	Isoacrostalidic acid 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021621	Lasiodiplodin, O-De-Me 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021622	Mochiquinone 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021623	Monilidiol; Dechloro 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021624	Oncorhyncolide 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021625	Senkyunolide M 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021626	Senkyunolide Q 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021627	Sinapyl alcohol, 4'-O-(3-Methyl-2-butenyl) 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021628	Tournefolin A 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021629	o-Mentha-1(7),4,8-triene-3,6-diol; 6-(2-Methylpropanoyl), 3-Ac 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MJ021630	p-Mentha-1,3,5,8(10)-tetraene-3,9-diol; 8,10-Dihydro, 3-(2-methylpropanoyl), 9-Ac 	C16H22O4	278.151809	NA	MeJP	NA	NA
+MetaCyc02491	2-ethylhexyl phthalate []	C16H22O4	278.151809	NA	metacyc	NA	NA
+MetaCyc02492	4-prenylphlorisovalerophenone [PPIVP;compound-X;]	C16H22O4	278.151809	NA	metacyc	NA	NA
+HMDB01518	alpha-CEHC	C16H22O4	278.15182	http://www.hmdb.ca/metabolites/HMDB01518	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01518	alpha-CEHC	C16H22O4	278.15182	http://www.hmdb.ca/metabolites/HMDB01518	HMDB	NA	NA
+HMDB01518	alpha-CEHC	C16H22O4	278.15182	http://www.hmdb.ca/metabolites/HMDB01518	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01518	alpha-CEHC	C16H22O4	278.15182	HMDB01518	PFEM_hmdb_metabocards_official	NA	NA
+3551	ACE inhibitor (from bovine beta-Lg)	LF	278.152	ACE inhibitor	Inhouse_peptide	NA	peptide
+7593	ACE inhibitor	IF	278.152	antioxidative	Inhouse_peptide	NA	peptide
+3747	NA	LGTIPG	278.1545	MH2+	Inhouse_peptide	NA	peptide
+CJneg0492	Butyrylcarnitine [(M-H)+(HCOOH)]- (13C)	C1113CH22NO6	278.156425	C18rt(min)=4.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0492	Butyrylcarnitine [(M-H)+(HCOOH)]- (13C)	C1113CH22NO6	278.156425	C18rt(min)=4.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ021631	17-Oxolupanine; 13?-Hydroxy 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021632	17-Oxolupanine; 15?-Hydroxy 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021633	4-Hydroxyepilupinine; 11-O-(2-Pyrrolecarbonyl) 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021634	4-Hydroxyepilupinine; 4-O-(2-Pyrrolecarbonyl) 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021635	4-[(3-Butoxy-4-methoxyphenyl)methyl]-2-imidazolidinone 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021636	Aphyllidine, 2R,9R-Dihydroxy 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021637	Aphyllidine, 2S,9R-Dihydroxy 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021638	Brevioxime 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021639	Mamanine; 8?-Hydroxy 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021640	Mamanine; N-Oxide 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021641	Sophocarpine; 9?-Hydroxy, N-oxide 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+MJ021642	Tolycaine 	C15H22N2O3	278.163042	NA	MeJP	NA	NA
+HMDB13243	Leucyl-phenylalanine	C15H22N2O3	278.163055	NA	HMDB2010	NA	NA
+PJ000156	LF 	C15H22N2O3	278.1631	NA	PeJP	NA	NA
+MJ021643	18(4?3)-Abeo-20-nor-1,3,5(10),6,8,11,13-abietaheptaen-12-ol; Me ether 	C20H22O	278.167065	NA	MeJP	NA	NA
+MJ021644	2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Monodeoxy, Me ether 	C20H22O	278.167065	NA	MeJP	NA	NA
+MJ021645	Asperenone 	C20H22O	278.167065	NA	MeJP	NA	NA
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR379	Aldosterone F6	NA	278.167575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR379	Aldosterone F6	NA	278.167575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR379	Aldosterone F6	NA	278.167575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR379	Aldostérone F6	F6	278.167575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR379	Aldosterone F6	NA	278.167575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR379	Aldosterone F6	F6	278.167575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7485	ACE inhibitor (fr,198-202 of bovine as2-casein)	TKVIP	278.1725	MH2+	Inhouse_peptide	NA	peptide
+MJ021646	2-Heptanol, O-?-D-Glucopyranoside 	C13H26O6	278.172938	NA	MeJP	NA	NA
+MJ021647	Nosantine 	C14H22N4O2	278.174275	NA	MeJP	NA	NA
+MetaCyc02493	cuprizone [cuprizane;biscyclohexanone oxaldihydrazone;oxalic acid bis(cyclohexanylidenehydrazide);Ethanedioic acid, bis(cyclohexylidenehydrazide);N,N'-bis(cyclohexylideneamino)oxamide;Biscyclohexanone oxalyldihydrazone;]	C14H22N4O2	278.174276	NA	metacyc	NA	NA
+MJ021648	C-Alkaloid S 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021649	Capuronidine; Deoxy, 14,15-didehydro 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021650	Depramine 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021651	Eburnamenine 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021652	Pericine 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021653	Triprolidine 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021654	Zenkerene 	C19H22N2	278.178298	NA	MeJP	NA	NA
+MJ021655	1,3,5-Bisabolatriene-1,9-diol; 9-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021656	1-(4-Hydroxy-3-methoxyphenyl)-3-decanone 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021657	1-Heptadecene-11,13-diyne-8,9,10-triol 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021658	1-Heptadecene-4,6-diyne-3,9,10-triol 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021659	1-Hydroxy-2,6,10-farnesatrien-9-one, Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021660	10(14)-Aromadendrene-4,9-diol, 9-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021661	11,12-Epoxy-8(12)-drimen-11-ol, Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021662	11-Hydroxy-7-drimen-12,11-olide; 11?-form, Et ether 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021663	15-Hydroxy-2,10-bisaboladien-1-one; Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021664	2,10-Bisaboladiene-1,12-diol; 1-Ketone, 12-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021665	2,3-Dihydroxybicyclogermacrene, 2-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021666	2,3-Dihydroxybicyclogermacrene, 3-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021667	3(15),6-Caryophylladien-12-ol, 6?,7?-Epoxide, Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021668	3(15)-Gymnomitrene-1,10-diol, 10-Deoxy, 3?,15-epoxide, 1-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021669	3,11-Eudesmadiene-1,14-diol, 14-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021670	3,7-Epoxy-1,10-bisaboladien-12-ol; Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021671	3-(1,3,5,7,9-Tetradecapentaenyloxy)-1,2-propanediol 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021672	3-Gymnomitren-1-ol, 1-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021673	3-Gymnomitrene-1,10,15-triol, 10-Deoxy, 1-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021674	3-Hydroxy-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-2-buten-1-al; Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021675	3-Hydroxy-5,7-megastigmadien-9-one, 2-Methylpropanoyl 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021676	3-Longipinene-12,13-diol; 12-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021677	3-Longipinene-12,13-diol; 13-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021678	3-Longipinene-12,15-diol; 12-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021679	4(15),11-Eudesmadiene-1,14-diol, 1-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021680	4(15),11-Eudesmadiene-1,14-diol, 14-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021681	4,11(13)-Cadinadiene-12,15-diol, 15-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021682	4,14-Epoxy-11-eudesmen-1-ol, Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021683	4,7(11)-Muuroladiene-8,9-diol, 9-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021684	4,9-Muuroladien-14-ol; 4?,5?-Epoxide, 15-Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021685	4-Hydroxy-10(14)-oplopen-3-one; Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021686	5,14-Epoxy-5,7(14)-lactaradiene-3,8-diol, 8-Et ether 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021687	7,15-Dihydroxy-8(14)-podocarpen-13-one; 7?-form 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021688	7-Hydroxy-10,16-heptadecadien-8-ynoic acid 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021689	8-Hydroxy-4-acoren-3-one; Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021690	8-Hydroxy-7(11)-eremophilen-12,8-olide, 8-Et ether 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021691	9,10-Dihydroxy-4,6-heptadecadiyn-3-one 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021692	9-Deoxymuzigadial acetal; 12?-form 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021693	9-Deoxymuzigadial acetal; 12?-form 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021694	9-Hydroxy-3(15),6-caryophylladien-8-one, 6,7?-Dihydro, Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021695	Antibiotic Ro 09-1547; 7',8'-Didehydro, 4-Me ether 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021696	Cyclokessol; Ac 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021697	Litsenolide B 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021698	Majorynolide 	C17H26O3	278.188194	NA	MeJP	NA	NA
+MJ021699	Obtusilactone 	C17H26O3	278.188194	NA	MeJP	NA	NA
+C10482	[6]-Paradol	C17H26O3	278.1882	NA	KEGG	NA	NA
+C16792	Panaxytriol	C17H26O3	278.1882	NA	KEGG	NA	NA
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR523	12,13-EPOME F2	NA	278.195825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR523	12,13-EPOME F2	NA	278.195825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR523	12,13-EPOME F2	NA	278.195825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR523	12,13-EPOME F2	NA	278.195825	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR523	12,13-EPOME F2	F2	278.195825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C09874	Lycocernuine	C16H26N2O2	278.1994	NA	KEGG	NA	NA
+MJ021700	13-Hydroxylupanine; Me ether 	C16H26N2O2	278.199428	NA	MeJP	NA	NA
+MJ021701	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form, Monoketone 	C16H26N2O2	278.199428	NA	MeJP	NA	NA
+MJ021702	Dimethocaine 	C16H26N2O2	278.199428	NA	MeJP	NA	NA
+MJ021703	Jamaidine, Me ether 	C16H26N2O2	278.199428	NA	MeJP	NA	NA
+MJ021704	Lycocernuine 	C16H26N2O2	278.199428	NA	MeJP	NA	NA
+MJ021705	2,3-Epoxy-1,6,10-trihydroxy-9-furanoeremophilanone, 6-(2-Methylpropanoyl), 1-Ac 	C21H26	278.20345	NA	MeJP	NA	NA
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR510	9-HODE F2	NA	278.224025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR510	9-HODE F2	NA	278.224025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR510	9-HODE F2	NA	278.224025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR510	9-HODE F2	NA	278.224025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR510	9-HODE F2	F2	278.224025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01388	Alpha-Linolenic acid	C18H30O2	278.224579	NA	HMDB2010	NA	NA
+HMDB03073	Gamma-Linolenic acid	C18H30O2	278.224579	NA	HMDB2010	NA	NA
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01388	a-Linolenic acid	C18H30O2	278.22458	http://www.hmdb.ca/metabolites/HMDB01388	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03073	gamma-Linolenic acid	C18H30O2	278.22458	http://www.hmdb.ca/metabolites/HMDB03073	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01388	a-Linolenic acid	C18H30O2	278.22458	http://www.hmdb.ca/metabolites/HMDB01388	HMDB	NA	NA
+HMDB03073	gamma-Linolenic acid	C18H30O2	278.22458	http://www.hmdb.ca/metabolites/HMDB03073	HMDB	NA	NA
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	HMDB	NA	NA
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	Inhouse_PFEM	NA	NA
+MJ021706	1-(2-Isopropyl-1-methylcyclobutyl)-4-methyl-4-nonene-1,8-dione 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021707	10-Octadecen-8-ynoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021708	11-Octadecen-9-ynoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021709	12,15-Epoxy-1,2-dinor-6,10-phytadien-3-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021710	13-(2-Cyclopentenyl)tridecanoic acid, 6,7-Didehydro 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021711	13-(2-Cyclopentenyl)tridecanoic acid, 4,5-Didehydro(Z-) 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021712	13-(2-Cyclopentenyl)tridecanoic acid, 9,10-Didehydro 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021713	13-Hexadecen-11-yn-1-ol, Ac 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021714	13-Hydroxy-9,11-octadecadienoic acid, Lactone 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021715	14-Hydroxy-1,2-dinor-6,10,15-phytatrien-3-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021716	16-Methyl-6,9,12-heptadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021717	17-Octadecen-9-ynoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021718	19-Hydroxy-15,16-dinor-8(17)-labden-13-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021719	2,9,12-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021720	2-Cyclohexyl-5,9-dimethyl-4,8-decadienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021721	2-Hydroxy-14,15-dinor-7-labden-13-one; 2?-form 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021722	3,9,12-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021723	3-Hydroxy-14,15-dinor-8(17)-labden-13-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021724	4,6,10-Hexadecatrien-1-ol; Ac 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021725	4,6,11-Hexadecatrien-1-ol, Ac 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021726	5,6,16-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021727	5,6-Epoxy-6,10,14-trimethyl-9,13-pentadecadien-2-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021728	5,9,12-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021729	6,10,14-Trimethyl-5,10-pentadecadiene-2,12-dione 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021730	6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one, 13R,14-Epoxide 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021731	6,10,14-Trimethyl-5,9-pentadecadiene-2,12-dione 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021732	6,10,14-Trimethyl-5,9-pentadecadiene-2,13-dione 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021733	6,12,14-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021734	6,9,12-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021735	6-Isopropenyl-3,9-dimethyl-3,9-decadien-1-ol, Propanoyl 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021736	6-Methyl-8-(2,2,6-trimethyl-3,6-epoxycyclohexyl)-5-octen-2-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021737	7-Hydroxy-14,15-dinor-8(17)-labden-13-one; 7?-form 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021738	7-Octadecen-9-ynoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021739	8,10,12-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021740	8,13-Epoxy-14,15-dinor-12-labden-3-ol 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021741	8,13:13,17-Diepoxy-14,15-dinorlabdane 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021742	8-(5-Hydroxy-2,6,6-trimethyl-2-cyclohexenyl)-6-methyl-5-octen-2-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021743	8-Hydroxy-14,15-dinor-11-labden-13-one 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021744	9,11,13-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021745	9,12,15-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021746	9,12,17-Octadecatrienoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021747	9-Octadecen-12-ynoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MJ021748	9-Octadecen-6-ynoic acid 	C18H30O2	278.22458	NA	MeJP	NA	NA
+MetaCyc02494	linolenate [linolenic acid;]	C18H30O2	278.22458	463-40-1	metacyc	NA	NA
+MetaCyc02495	crepenynate [(9Z)-octadec-9-en-12-ynoate;(Z)-9-octadecen-12-ynoic acid;crepenynic acid;]	C18H30O2	278.22458	NA	metacyc	NA	NA
+HMDB01388	a-Linolenic acid	C18H30O2	278.22458	http://www.hmdb.ca/metabolites/HMDB01388	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03073	gamma-Linolenic acid	C18H30O2	278.22458	http://www.hmdb.ca/metabolites/HMDB03073	PFEM_hmdb_metabocards_blood	NA	blood
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.22458	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01388	a-Linolenic acid	C18H30O2	278.22458	HMDB01388	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03073	gamma-Linolenic acid	C18H30O2	278.22458	HMDB03073	PFEM_hmdb_metabocards_official	NA	NA
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.2246	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.2246	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.2246	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR126	n-3alphalinolenicacid (C18:3) 	C18H30O2	278.2246	Wishlist	Inhousejuil11	NA	NA
+C06426	(6Z,9Z,12Z)-Octadecatrienoic acid	C18H30O2	278.2246	NA	KEGG	NA	NA
+C06427	(9Z,12Z,15Z)-Octadecatrienoic acid	C18H30O2	278.2246	NA	KEGG	NA	NA
+C07289	Crepenynate	C18H30O2	278.2246	NA	KEGG	NA	NA
+C08315	(9Z,11E,13E)-Octadecatrienoic acid	C18H30O2	278.2246	NA	KEGG	NA	NA
+C08364	Punicic acid	C18H30O2	278.2246	NA	KEGG	NA	NA
+C15201	5beta-Estrane-3alpha,17beta-diol	C18H30O2	278.2246	NA	KEGG	NA	NA
+MJ021749	Huperzine J 	C17H30N2O	278.235813	NA	MeJP	NA	NA
+MJ021750	2-Pentadecylfuran 	C19H34O	278.260965	NA	MeJP	NA	NA
+MJ021751	3,6,9-Nonadecatriene, 3R,4S-Epoxide 	C19H34O	278.260965	NA	MeJP	NA	NA
+MJ021752	3,6,9-Nonadecatriene, 3S,4R-Epoxide 	C19H34O	278.260965	NA	MeJP	NA	NA
+MJ021753	3,6,9-Nonadecatriene, 9S,10R-Epoxide 	C19H34O	278.260965	NA	MeJP	NA	NA
+MJ021754	6,9-Nonadecadien-3-one 	C19H34O	278.260965	NA	MeJP	NA	NA
+MJ021755	Phlegmarine; N,N'-Di-Me 	C18H34N2	278.272199	NA	MeJP	NA	NA
+MJ021756	1,3(20)-Phytadiene 	C20H38	278.297351	NA	MeJP	NA	NA
+MJ021757	1,3-Phytadiene 	C20H38	278.297351	NA	MeJP	NA	NA
+MJ021758	2,4-Phytadiene 	C20H38	278.297351	NA	MeJP	NA	NA
+MJ021759	3-Eicosyne 	C20H38	278.297351	NA	MeJP	NA	NA
+MJ021760	5-Eicosyne 	C20H38	278.297351	NA	MeJP	NA	NA
+MJ021761	9-Eicosyne 	C20H38	278.297351	NA	MeJP	NA	NA
+MJ021762	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3-Bromo, 5-chloro 	C8H7BrClNO3	278.929783	NA	MeJP	NA	NA
+MJ021763	5-Bromo-7-chlorocavernicolin 	C8H7BrClNO3	278.929783	NA	MeJP	NA	NA
+MJ021764	Cavernicolin 1; 5-Debromo, 5-chloro 	C8H7BrClNO3	278.929783	NA	MeJP	NA	NA
+MJ021765	Brobactam 	C8H10BrNO3S	278.956476	NA	MeJP	NA	NA
+MJ021766	3-(6-Bromo-1H-indol-3-yl)-2-propenoic acid, Me ester 	C12H10BrNO2	278.989491	NA	MeJP	NA	NA
+C01783	Arylmercury	C6H5Hg	279.0098	NA	KEGG	NA	NA
+MJ021767	2,4-Dihydro-6,8-dinitro-1H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one 	C9H5N5O6	279.023982	NA	MeJP	NA	NA
+MJ021768	7-Bromo-4-(2-ethoxyethyl)quinoline 	C13H14BrNO	279.025876	NA	MeJP	NA	NA
+MJ021769	Aristolactam I; O-De-Me 	C16H9NO4	279.053157	NA	MeJP	NA	NA
+MJ021770	Aristolactam IIIa 	C16H9NO4	279.053157	NA	MeJP	NA	NA
+MJ021771	Kalbretorine 	C16H9NO4	279.053157	NA	MeJP	NA	NA
+MJ021772	Lotrifen 	C16H10ClN3	279.056325	NA	MeJP	NA	NA
+MJ021773	Letosteine 	C10H17NO4S2	279.059899	NA	MeJP	NA	NA
+C06909	Cidofovir	C8H14N3O6P	279.062	NA	KEGG	NA	NA
+MJ021774	Cidofovir 	C8H14N3O6P	279.062021	NA	MeJP	NA	NA
+MJ021775	Fidarestat 	C12H10FN3O4	279.065534	NA	MeJP	NA	NA
+MJ021776	Fexinidazole 	C12H13N3O3S	279.067761	NA	MeJP	NA	NA
+MJ021777	Aspartic acid, N-(4-Hydroxycinnamoyl) 	C13H13NO6	279.074287	NA	MeJP	NA	NA
+MJ021778	Tivanidazole 	C11H13N5O2S	279.078995	NA	MeJP	NA	NA
+MJ021779	Halonamine 	C15H15ClFNO	279.08262	NA	MeJP	NA	NA
+C02328	Tolmetin sodium	C15H14NO3	279.0871	NA	KEGG	NA	NA
+PJ000157	GTC 	C9H17N3O5S	279.0889	NA	PeJP	NA	NA
+C10689	Graveoline	C17H13NO3	279.0895	NA	KEGG	NA	NA
+MJ021780	1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; Di-Me ether 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021781	1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; O1,N-Di-Me 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021782	1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; O2,N-Di-Me 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021783	1,3-Dihydroxydibenz[cd,f]indol-4(5H)-one; Di-Me ether 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021784	4-Methoxy-2-(3,4-methylenedioxyphenyl)quinoline 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021785	Constrictosine 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021786	Fuseine 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021787	Graveoline 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021788	Napirimus 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021789	Pratorinine; O9-Me 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021790	Triclisine; 9-Hydroxy 	C17H13NO3	279.089543	NA	MeJP	NA	NA
+MJ021791	Thiamin acetic acid 	C12H15N4O2S	279.091571	NA	MeJP	NA	NA
+MetaCyc02496	thiamine acetate [thiamine acetic acid;3-(2’-methyl-4’-amino-5’-pyrimidylmethyl)-4-methylthiazole-5-acetate;]	C12H15N4O2S1	279.091571	NA	metacyc	NA	NA
+C02892	Thiamine acetic acid	C12H15N4O2S	279.0916	NA	KEGG	NA	NA
+3355	Stimulating vasoactive substance release	SSS	279.096	celiac toxic	Inhouse_peptide	NA	peptide
+MJ021792	Angustmycin A 	C11H13N5O4	279.096753	NA	MeJP	NA	NA
+MJ021793	Neplanocin B 	C11H13N5O4	279.096753	NA	MeJP	NA	NA
+MJ021794	Neplanocin C 	C11H13N5O4	279.096753	NA	MeJP	NA	NA
+MetaCyc02497	decoyinine []	C11H13N5O4	279.096754	NA	metacyc	NA	NA
+PJ000158	SSS 	C9H17N3O7	279.1067	NA	PeJP	NA	NA
+MJ021795	4-Hydroxyphenylacetic acid; Nitrile, O-?-L-rhamnopyranoside 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021796	Fenamifuril 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021797	Narcicrinine 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021798	Spirostaphylotrichin E 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021799	Spirostaphylotrichin K 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021800	Spirostaphylotrichin M 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021801	Spirostaphylotrichin O; 4-Ketone 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021802	Spirostaphylotrichin Q 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021803	Spirostaphylotrichin S; Stereoisomer 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+MJ021804	Triticone A; 4-Alcohol 	C14H17NO5	279.110672	NA	MeJP	NA	NA
+7683	ACE inhibitor from garlic	NF	279.1109	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ000159	NF 	C13H17N3O4	279.1219	NA	PeJP	NA	NA
+MJ021805	Manzacidin B; Debromo, 5-deoxy, N'-Me 	C13H17N3O4	279.121906	NA	MeJP	NA	NA
+MJ021806	1H-Indole-3-propanoic acid; Benzyl ester 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021807	3,4-Dihydro-3-hydroxy-1-methyl-4,5-diphenyl-2(1H)-pyridinone 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021808	3-Hydroxy-4-(1H-indol-3-yl)-1-phenyl-2-butanone 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021809	Clausanitine 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021810	Clausine D 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021811	Dehydronuciferine; N-De-Me 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021812	Euchrestifoline 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021813	Eustifoline A; 2-Hydroxy 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021814	Girinimbine; 7-Hydroxy 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021815	Heptaphylline 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021816	Koenine 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021817	Lirinidine, 6a,7-Didehydro 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021818	N-4-Methoxystyrylcinnamide 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021819	N-Methyl-N-(2-phenylethenyl)-3-phenyl-2-oxiranecarboxamide 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021820	Pyrayafoline A; O-De-Me 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021821	Pyrayafoline B 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021822	Roemerine 	C18H17NO2	279.125928	NA	MeJP	NA	NA
+MJ021823	3,4,4a,5,10,10a-Hexahydro-6-methoxy-4-methyl-9-(methylthio)-2H-naphth[2,3-b]-1,4-oxazine 	C15H21NO2S	279.129299	NA	MeJP	NA	NA
+MJ021824	Theophylline; N7-Morpholinomethyl 	C12H17N5O3	279.133139	NA	MeJP	NA	NA
+3585	NA	PQAFP	279.1335	MH2+	Inhouse_peptide	NA	peptide
+MJ021825	Ramosetron 	C17H17N3O	279.137162	NA	MeJP	NA	NA
+2618	synthetic fr,of human beta-CN (97-101) ACE inhibitor	GRVMP	279.1412	MH2+	Inhouse_peptide	NA	peptide
+MJ021826	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 1,6-Didehydro 	C15H21NO4	279.147058	NA	MeJP	NA	NA
+MJ021827	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, ?-Ketone 	C15H21NO4	279.147058	NA	MeJP	NA	NA
+MJ021828	Afurolol 	C15H21NO4	279.147058	NA	MeJP	NA	NA
+MJ021829	Anisomycin, O-De-Ac, 3-propanoyl 	C15H21NO4	279.147058	NA	MeJP	NA	NA
+MJ021830	Choline; O-(3-Hydroxy-4-methoxycinnamoyl) 	C15H22NO4(+)	279.147058	NA	MeJP	NA	NA
+MJ021831	Choline; O-(4-Hydroxy-3-methoxycinnamoyl) 	C15H22NO4(+)	279.147058	NA	MeJP	NA	NA
+C10947	Metalaxyl	C15H21NO4	279.1471	NA	KEGG	NA	NA
+MJ021832	4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one 	C14H21N3O3	279.158291	NA	MeJP	NA	NA
+MJ021833	Oxamniquine 	C14H21N3O3	279.158291	NA	MeJP	NA	NA
+C07341	Oxamniquine	C14H21N3O3	279.1583	NA	KEGG	NA	NA
+C06971	Doxepin	C19H21NO	279.1623	NA	KEGG	NA	NA
+MJ021834	10-Hydroxynortriptyline 	C19H21NO	279.162314	NA	MeJP	NA	NA
+MJ021835	2,4,6,12-Tetradecatetraene-8,10-diynoic acid, Piperidide 	C19H21NO	279.162314	NA	MeJP	NA	NA
+MJ021836	2,4-Tetradecadiene-8,10,12-triynoic acid, Piperidide 	C19H21NO	279.162314	NA	MeJP	NA	NA
+MJ021837	Clausenapin 	C19H21NO	279.162314	NA	MeJP	NA	NA
+MJ021838	Doxepin 	C19H21NO	279.162314	NA	MeJP	NA	NA
+MJ021839	N-(1,2,3,4-Tetrahydro-4-phenyl-2-naphthalenyl)propanamide 	C19H21NO	279.162314	NA	MeJP	NA	NA
+MJ021840	10-Isothiocyanato-5-amorphen-1-ol 	C16H25NOS	279.165685	NA	MeJP	NA	NA
+MJ021841	Decahydro-6-[2-(1H-tetrazol-5-yl)ethyl]-3-isoquinolinecarboxylic acid 	C13H21N5O2	279.169524	NA	MeJP	NA	NA
+MJ021842	Etamiphylline 	C13H21N5O2	279.169524	NA	MeJP	NA	NA
+MJ021843	Sibutramine 	C17H26ClN	279.175377	NA	MeJP	NA	NA
+C07247	Sibutramine	C17H26ClN	279.1754	NA	KEGG	NA	NA
+C07248	Transferred to D00431	C17H26ClN	279.1754	NA	KEGG	NA	NA
+C07249	Transferred to D00432	C17H26ClN	279.1754	NA	KEGG	NA	NA
+C09901	Serratine	C16H25NO3	279.1834	NA	KEGG	NA	NA
+MJ021844	3,4-Dihydroxybenzylamine; 3-Me ether, N-octanoyl 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021845	Dendrobine, 2-Hydroxy 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021846	Dendrobine, 6-Hydroxy 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021847	Dendrobine, N-Oxide 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021848	Fawcettimine; Natural-form, 4-Hydroxy 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021849	Lycodoline; 6?-Hydroxy 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021850	Moxisylyte 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021851	Serratezomine A 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021852	Serratine 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021853	Serratinine 	C16H25NO3	279.183443	NA	MeJP	NA	NA
+MJ021854	Histamine; ?-N-(4-Oxodecanoyl) 	C15H25N3O2	279.194677	NA	MeJP	NA	NA
+MJ021855	1-Isopropyl-4,4-diphenylpiperidine 	C20H25N	279.198699	NA	MeJP	NA	NA
+MJ021856	Fenpiprane 	C20H25N	279.198699	NA	MeJP	NA	NA
+MJ021857	4-Dodecyl-1H-pyrrole-2-carboxylic acid 	C17H29NO2	279.219829	NA	MeJP	NA	NA
+MJ021858	Cryptophorinine 	C17H29NO2	279.219829	NA	MeJP	NA	NA
+MJ021859	Micropine 	C17H29NO2	279.219829	NA	MeJP	NA	NA
+MJ021860	Nupharamine, Et ether 	C17H29NO2	279.219829	NA	MeJP	NA	NA
+MJ021861	Poranthericine; 1-Epimer, Ac 	C17H29NO2	279.219829	NA	MeJP	NA	NA
+MJ021862	Poranthericine; Ac 	C17H29NO2	279.219829	NA	MeJP	NA	NA
+MJ021863	2,4-Tetradecadienoic acid, 2-Methylpropylamide 	C18H33NO	279.256214	NA	MeJP	NA	NA
+MJ021864	Mantella Alkaloid 279D 	C18H33NO	279.256214	NA	MeJP	NA	NA
+MJ021865	2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine 	C19H37N	279.2926	NA	MeJP	NA	NA
+MJ021866	2,5-Dialkylpyrrolidines; 2-Ethyl-5-(12-tridecenyl)pyrrolidine 	C19H37N	279.2926	NA	MeJP	NA	NA
+MJ021867	2-Methyl-6-tridecylpiperidine, 4',5'-Didehydro (Z-) 	C19H37N	279.2926	NA	MeJP	NA	NA
+8235	Antioxidative peptide	AGWNI	279.63195	MH2+	Inhouse_peptide	NA	peptide
+MJ021868	2,2,2-Tribromoethanol 	C2H3Br3O	279.773402	NA	MeJP	NA	NA
+MJ021869	2,6-Dibromo-1,4-benzenediol; 1-Me ether 	C7H6Br2O2	279.873454	NA	MeJP	NA	NA
+MJ021870	2,6-Dibromo-1,4-benzenediol; 4-Me ether 	C7H6Br2O2	279.873454	NA	MeJP	NA	NA
+MJ021871	3,5-Dibromo-4-hydroxybenzyl alcohol 	C7H6Br2O2	279.873454	NA	MeJP	NA	NA
+MJ021872	4-Bromo-5-(chloromethylene)-3-(1-hydroxybutyl)-2(5H)-furanone 	C9H10BrClO3	279.950184	NA	MeJP	NA	NA
+MJ021873	Diphenyliodonium(1+) 	C12H10I(+)	279.974893	NA	MeJP	NA	NA
+MJ021874	Thiarubrin E; 1-Deoxy, 1-chloro 	C13H9ClOS2	279.978333	NA	MeJP	NA	NA
+MJ021875	Thiarubrin E; 2-Deoxy, 2-chloro 	C13H9ClOS2	279.978333	NA	MeJP	NA	NA
+C02740	Photinus luciferin	C11H8N2O3S2	279.9976	NA	KEGG	NA	NA
+MJ021876	Photinus Luciferin 	C11H8N2O3S2	279.997633	NA	MeJP	NA	NA
+MetaCyc02498	photinus luciferin []	C11H8N2O3S2	279.997634	NA	metacyc	NA	NA
+MJ021877	Bis(4'-chlorophenyl)acetate 	C14H10Cl2O2	280.005785	NA	MeJP	NA	NA
+C06640	Bis(4'-chlorophenyl)acetate	C14H10Cl2O2	280.0058	NA	KEGG	NA	NA
+C14238	1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene	C14H10Cl2O2	280.0058	NA	KEGG	NA	NA
+MJ021878	6-Bromotryptamine; Nb-Me, Nb-formyl 	C12H13BrN2O	280.021125	NA	MeJP	NA	NA
+MJ021879	2-Acetyl-3,5,6,7,8-pentahydroxy-1,4-naphthoquinone 	C12H8O8	280.021917	NA	MeJP	NA	NA
+C01964	Tos-Ph-CH2Cl	C14H13ClO2S	280.0325	NA	KEGG	NA	NA
+MJ021880	Frutinone A; 11-Hydroxy 	C16H8O5	280.037173	NA	MeJP	NA	NA
+CJneg0493	Pseudouridine [(M+Cl)]-	C9H12ClN2O6	280.046725	C18rt(min)=1.05 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0493	Pseudouridine [(M+Cl)]-	C9H12ClN2O6	280.046725	C18rt(min)=1.05 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ021881	Supidimide 	C12H12N2O4S	280.051777	NA	MeJP	NA	NA
+MJ021882	2,3,4-Trihydroxybutanoic acid, 1,4-Lactone, 2-O-(3,4-dihydroxycinnamoyl) 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021883	2,3,5,6,8-Pentahydroxy-1,4-naphthoquinone; 2,3,6-Tri-Me ether 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021884	6-Ethyl-2,3,5,7,8-pentahydroxy-1,4-naphthoquinone; 2-Me ether 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021885	6-Ethyl-2,3,5,7,8-pentahydroxy-1,4-naphthoquinone; 3-Me ether 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021886	Arthrinone 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021887	Diaporthinic acid 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021888	Malic acid, O-(4-Hydroxycinnamoyl) 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021889	Monocerolide 	C13H12O7	280.058302	NA	MeJP	NA	NA
+MJ021890	Pereflorin B 	C13H12O7	280.058302	NA	MeJP	NA	NA
+C12540	Sulfamonomethoxine	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12541	Transferred to D01142	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12542	Transferred to D01143	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12543	Transferred to D01144	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12544	Transferred to D01145	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12546	Transferred to D01146	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12547	Transferred to D01147	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12548	Transferred to D01148	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12549	Transferred to D01149	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12550	Transferred to D01150	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12551	Transferred to D01151	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12616	Sulfamethopyrazine	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12617	Transferred to D01217	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12618	Transferred to D01218	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12619	Transferred to D01219	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+C12620	Transferred to D01220	C11H12N4O3S	280.063	NA	KEGG	NA	NA
+MJ021891	Sulfalene 	C11H12N4O3S	280.06301	NA	MeJP	NA	NA
+MJ021892	Sulfamethoxypyridazine 	C11H12N4O3S	280.06301	NA	MeJP	NA	NA
+MJ021893	Sulfametoxydiazine 	C11H12N4O3S	280.06301	NA	MeJP	NA	NA
+MJ021894	Sulfamonomethoxine 	C11H12N4O3S	280.06301	NA	MeJP	NA	NA
+CJpos0678	Oxoproline [(2M+Na)]+	C10H14N2NaO6	280.066575	C18rt(min)=1.05 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0678	Oxoproline [(2M+Na)]+	C10H14N2NaO6	280.066575	C18rt(min)=1.05 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ021895	Methoxybrassenin A 	C13H16N2OS2	280.070404	NA	MeJP	NA	NA
+MJ021896	N-?-Glutamylcysteine; L-L-form, S-Me, S-oxide 	C9H16N2O6S	280.072906	NA	MeJP	NA	NA
+FLID1ANF0001	Neodunol	C17H12O4	280.07355	53766-53-3	knapsack	NA	NA
+MJ021897	3,5,7,9,11-Tridecapentayne-1,2-diol; Di-Ac 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021898	3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021899	4-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acid 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021900	7-Hydroxy-2H-1-benzopyran-2-one; O-(Phenylacetyl) 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021901	Neodunol 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021902	Nortanshinone 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021903	Rubrolide E 	C17H12O4	280.073558	NA	MeJP	NA	NA
+MJ021904	Esonarimod 	C14H16O4S	280.076929	NA	MeJP	NA	NA
+MJ021905	Methyl ?-D-glucopyranoside; 6-O-Malonyl 	C10H16O9	280.079432	NA	MeJP	NA	NA
+MJ021906	12-Bromo-4(13),6,9-lauratriene 	C15H21Br	280.082663	NA	MeJP	NA	NA
+MJ021907	?-Bromocuparene 	C15H21Br	280.082663	NA	MeJP	NA	NA
+MJ021908	1,11-Dimethoxycanthin-6-one 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021909	10-Hydroxy-9-methoxycanthin-6-one; Me ether 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021910	2-(4-Hydroxybenzoyl)-4(5)-(4-hydroxyphenyl)-1H-imidazole 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021911	5,11-Dimethoxycanthin-6-one 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021912	5,9-Dimethoxycanthin-6-one 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021913	9-Methoxy-3-methyl-5,6-canthindione 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021914	Eupolauramine; 10-Hydroxy 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021915	Nigakinone; Me ether 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+MJ021916	Picrasidine O 	C16H12N2O3	280.084792	NA	MeJP	NA	NA
+C16996	Methyl nigakinone	C16H12N2O3	280.0848	NA	KEGG	NA	NA
+MJ021917	4-Oxo-2,11(13)-pseudoguaiadien-12,6-olide, 3-Chloro 	C15H17ClO3	280.086622	NA	MeJP	NA	NA
+MJ021918	Osthenol; 2',3'-Dihydro, 3'-chloro, Me ether 	C15H17ClO3	280.086622	NA	MeJP	NA	NA
+PJ000160	MM 	C10H20N2O3S2	280.0915	NA	PeJP	NA	NA
+MetaCyc02499	adenosine 5'-carboxamide []	C10H12N6O4	280.092003	NA	metacyc	NA	NA
+MJ021919	1,2,3-Cyclopentanetriol, 2-O-(3,4-Dihydroxycinnamoyl)(E-) 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021920	1,2,3-Cyclopentanetriol, 1-O-(3,4-Dihydroxycinnamoyl)(E-) 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021921	2,5,10-Trihydroxy-p-mentha-1,3,5,8-tetraene-9-carboxylic acid; 8Z-form, 2-Ac, Me ester 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021922	2-Hydroxy-3-methylbutanoic acid, O-(3,4-Methylenedioxybenzoyl), Me ester 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021923	Caleteucrin; 7-Methoxy 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021924	Citreoisocoumarinol 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021925	Citreoviranol; O-De-Me 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021926	Globoscin 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021927	Gravolenic acid 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021928	Zhebeiresinol 	C14H16O6	280.094688	NA	MeJP	NA	NA
+MJ021929	Fanetizole 	C17H16N2S	280.103419	NA	MeJP	NA	NA
+PJ000161	DF 	C13H16N2O5	280.1059	NA	PeJP	NA	NA
+MJ021930	4-Hydroxyphenylacetylglutamine 	C13H16N2O5	280.105921	NA	MeJP	NA	NA
+MJ021931	Giganticine 	C13H16N2O5	280.105921	NA	MeJP	NA	NA
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.105927	NA	HMDB2010	NA	NA
+HMDB11167	L-beta-aspartyl-L-phenylalanine	C13H16N2O5	280.105927	NA	HMDB2010	NA	NA
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	http://www.hmdb.ca/metabolites/HMDB00706	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	http://www.hmdb.ca/metabolites/HMDB00706	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	http://www.hmdb.ca/metabolites/HMDB00706	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	http://www.hmdb.ca/metabolites/HMDB00706	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	http://www.hmdb.ca/metabolites/HMDB00706	HMDB	NA	NA
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	http://www.hmdb.ca/metabolites/HMDB00706	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00706	L-Aspartyl-L-phenylalanine	C13H16N2O5	280.10593	HMDB00706	PFEM_hmdb_metabocards_official	NA	NA
+MJ021932	1,12-Diisothiocyanato-1,11-dodecadiene 	C14H20N2S2	280.10679	NA	MeJP	NA	NA
+MJ021933	Simendan 	C14H12N6O	280.107259	NA	MeJP	NA	NA
+MJ021934	Flumecinol 	C16H15F3O	280.107499	NA	MeJP	NA	NA
+C08485	2-(4-Methoxyphenethyl)chromone	C18H16O3	280.1099	NA	KEGG	NA	NA
+C15191	(2-Isopropyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone	C18H16O3	280.1099	NA	KEGG	NA	NA
+MJ021935	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy, 4'-Me ether 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021936	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 7-Methoxy 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021937	2-(4-Hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran, 2'-Ketone 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021938	2-[2-(4-Hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; Me ether 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021939	4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol, 4''-Me ether 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021940	6,7-Dihydroxy-1-(4-hydroxyphenyl)-2,3-dimethylnaphthalene 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021941	6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; 6-Me ether 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021942	6-Hydroxy-7,9-octadecadiene-11,13,15,17-tetraynoic acid 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021943	7-Hydroxyisoflavone; Isopropyl ether 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021944	8-Methoxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021945	9,10-Dihydro-7-hydroxy-8-methyl-4-vinyl-1-phenanthrenecarboxylic acid 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021946	9,10-Dihydro-7-hydroxy-8-methyl-4-vinyl-2-phenanthrenecarboxylic acid 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021947	Danshenxinkun B 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021948	Methylenedihydrotanshinquinone 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021949	Phenprocoumon 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021950	Randainal 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021951	Ratanhiaphenol III 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021952	Tanshinone I; 1,2,15,16-Tetrahydro 	C18H16O3	280.109944	NA	MeJP	NA	NA
+MJ021953	2-Hydroxymethyl-2-butene-1,4-diol; 1-O-?-D-Allopyranoside 	C11H20O8	280.115817	NA	MeJP	NA	NA
+MJ021954	4-O-?-D-Xylopyranosyl-D-digitoxose 	C11H20O8	280.115817	NA	MeJP	NA	NA
+MJ021955	Adecypenol 	C12H16N4O4	280.117155	NA	MeJP	NA	NA
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	HMDB	NA	NA
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	Inhouse_PFEM	NA	NA
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC006	Benzothiazine compound	NA	280.1178	RT5.5	PFEM_hmdb_metabocards_official	NA	NA
+MJ021956	1-Methyl-3-(2-phenylethyl)-2,4(1H,3H)-quinazolinedione 	C17H16N2O2	280.121177	NA	MeJP	NA	NA
+MJ021957	Cyclopeptine 	C17H16N2O2	280.121177	NA	MeJP	NA	NA
+MJ021958	Harmalacinine 	C17H16N2O2	280.121177	NA	MeJP	NA	NA
+MJ021959	Tubermycin A 	C17H16N2O2	280.121177	NA	MeJP	NA	NA
+MJ021960	Xinidamine 	C17H16N2O2	280.121177	NA	MeJP	NA	NA
+MJ021961	2-Ethyl-7-fluoro-3,4-dihydro-3-oxo-1(2H)-quinoxalinecarboxylic acid, Isopropyl ester 	C14H17FN2O3	280.12232	NA	MeJP	NA	NA
+MJ021962	3-Azabicyclo[3.2.2]nonane; N-(4-Aminobenzenesulfonyl) 	C14H20N2O2S	280.124548	NA	MeJP	NA	NA
+3492	ACE inhibitor from sake	VY	280.131	ACE inhibitor	Inhouse_peptide	NA	peptide
+8224	antioxidative peptide	VY	280.131	NA  ;SYN:(-)-a-Amino-p-hydroxyhydrocinnamate; (-)-a-Amino-p-hydroxyhydrocinnamic acid; (-)-alpha-Amino-p-hydroxyhydrocinnamate; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; (S)-(-)-Tyrosine; (S)-2-Amino-3-(p-hydroxyphenyl)propionate; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; (S)-3-(p-Hydroxyphenyl)alanine; (S)-Tyrosine; (S)-a-Amino-4-hydroxybenzenepropanoate; (S)-a-Amino-4-hydroxybenzenepropanoic acid; (S)-a-amino-4-hydroxy-Benzenepropanoate; (S)-a-amino-4-hydroxy-Benzenepropanoic acid; (S)-alpha-amino-4-hydroxy-Benzenepropanoate; (S)-alpha-amino-4-hydroxy-Benzenepropanoic acid; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid; 3-(4-Hydroxyphenyl)-L-alanine; 4-hydroxy-L-Phenylalanine; Benzenepropanoate; Benzenepropanoic acid; L-p-Tyrosine; L-tyrosine; Tyr; Tyrosine; p-Tyrosine; (S)-alpha-Amino-4-hydroxybenzenepropanoate; (S)-alpha-Amino-4-hydroxybenzenepropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ021963	1,10-Epoxy-3-guaien-12,6-olide, ?2 Isomer, 4?-hydroperoxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021964	1,10-Epoxy-3-guaien-12,6-olide, ?4-Isomer, 3-hydroperoxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021965	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021966	1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021967	1,10:4,5-Diepoxy-8-hydroxy-7(11)-germacren-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021968	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-Deoxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021969	1,2,4-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021970	1,3,8-Trihydroxy-4,11(13)-eudesmadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021971	1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021972	1,4,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021973	1,4,10-Trihydroxy-7(11),8-guaiadien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021974	1,4-Epoxy-5,6-dihydroxy-1(10),11(13)-germacradien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021975	1,5-Epoxy-4,6-dihydroxy-10(14),11(13)-germacradien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021976	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021977	1,8,11-Trihydroxy-3,10(14)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021978	1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021979	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021980	1-(2,3,4,5-Tetrahydroxyphenyl)-2-penten-1-one, Tetra-Me ether 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021981	10,13-Dihydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021982	10,15-Dihydroxy-2-oxo-3-guaien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021983	10-Hydroperoxy-4-hydroxy-1,11(13)-guaiadien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021984	10-Hydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form, 10-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021985	11,12-Epoxy-4,13-dihydroxy-9-trichothecen-8-one 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021986	11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021987	11,13-Dihydroxy-4-oxo-1(5),2-xanthadien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021988	11,13-Dihydroxy-4-oxo-2-pseudoguaien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021989	13-Hydroxyripariochromene A; 7-Me ether, 1' alcohol 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021990	2',3',4',6'-Tetrahydroxyacetophenone; 4'-O-(3-Methyl-2-butenyl), 2',6'-di-Me ether 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021991	2,3-Epoxy-4,10-dihydroxy-11(13)-guaien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021992	2,3-Epoxy-4,6-dihydroxy-11(13)-pseudoguaien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021993	2,4,10-Trihydroxy-1(5)-guaien-12,6-olide, 2-Ketone 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021994	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021995	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone, 1?,5?-epoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021996	2,5,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021997	2,5-Epoxy-7-deoxypseudoanisatin 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021998	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ021999	3,4,8-Trihydroxy-1(10),11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022000	3,4,9-Trihydroxy-1(10)-guaien-12,8-olide, 9-Ketone 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022001	3,5-Dihydroxy-4(15),10(14)-guaiadien-12,8-olide, 10?,14-Epoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022002	3,5-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022003	3,8,10-Trihydroxy-4(15),11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022004	3,9,10-Trihydroxy-4,11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022005	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-Hydroxy-3-methylbutyl ester 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022006	4,15-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022007	4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022008	4,5-Epoxy-1,6-dihydroxy-10(14),11(13)-germacradien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022009	4,5-Epoxy-1,6-dihydroxy-9,11(13)-germacradien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022010	4,5-Epoxy-1-hydroperoxy-10(14),11(13)-germacradien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022011	4,5-Epoxy-1-hydroxy-10(14),11(13)-germacradien-12,6-olide, 1-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022012	4,5-Epoxy-10-hydroxy-3-oxo-1-germacren-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022013	4,8-Dihydroxy-1-oxo-2-eudesmen-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022014	4,9,10-Trihydroxy-1,11(13)-guaiadien-12,8-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022015	4,9,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022016	4-Hydroxy-1-oxo-2-eudesmen-12,6-olide, 4-Hydroperoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022017	5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Aldehyde 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022018	5,14-Epoxy-3,8-dihydroxy-5,7(14)-illudaladien-4-oic acid 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022019	5,9-Dihydroxy-1-oxo-10(14),4(15)-germacradien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022020	5-Hydroxy-14-oxo-3-cedren-15-oic acid, 14-Carboxylic acid 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022021	6,13-Dihydroxy-3-oxo-1(10),7(11)-germacradien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022022	7,8-Epoxy-6-hydroxy-1-oxo-12,8-eremophilanolide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022023	8,10,15-Trihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022024	8,10-Dihydroxy-2-oxo-3-guaien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022025	8,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 4?,15-Epoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022026	8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 4?,5?-Epoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022027	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022028	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022029	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022030	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022031	8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022032	8,9-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide; 1?,4?H,5?,6?,8?,9?,11?H-form 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022033	8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, 4?,5?-Epoxide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022034	Abscisic acid, 13-Hydroxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022035	Abscisic acid, 14-Hydroxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022036	Altamisic acid 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022037	Antibiotic WAP 4068A; Antibiotic WAP 4068A3 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022038	Antibiotic WAP 4068A; Antibiotic WAP 4068A4 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022039	Artemisinin; 11,13-Didehydro 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022040	Canambrin 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022041	Crispolide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022042	Flakinin A 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022043	Heptelidic acid 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022044	Illicinone E 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022045	Jesterone; 1'?-Hydroxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022046	Marasmone; 1?-Alcohol 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022047	Nivefuranone A; 1',2'-Dihydro, 2'-hydroxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022048	Paniculide A; 15-Hydroxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022049	Phaseic acid 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022050	Phomenone; 11,12-Epoxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022051	Picrotoximaesin 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022052	Psilostachyin 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022053	Pterosin L, 15-Hydroxy 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022054	Pterosin Y 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022055	Rosnecatrone 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022056	Santolinifolide A 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022057	Santolinifolide C 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022058	Scabediol 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022059	Secoisoerivanin pseudoacid 	C15H20O5	280.131073	NA	MeJP	NA	NA
+MJ022060	Vulgarolide 	C15H20O5	280.131073	NA	MeJP	NA	NA
+C09346	Autumnolide	C15H20O5	280.1311	NA	KEGG	NA	NA
+C09480	Hymenoflorin	C15H20O5	280.1311	NA	KEGG	NA	NA
+C09707	Phaseic acid	C15H20O5	280.1311	NA	KEGG	NA	NA
+C15514	8'-Hydroxyabscisate	C15H20O5	280.1311	NA	KEGG	NA	NA
+MJ022061	Hydroxystilbamidine 	C16H16N4O	280.132411	NA	MeJP	NA	NA
+3277	NA	KREE	280.1395	MH2+	Inhouse_peptide	NA	peptide
+PJ000162	VY 	C14H20N2O4	280.1423	NA	PeJP	NA	NA
+MJ022062	Subaphylline; 2S-Hydroxy 	C14H20N2O4	280.142307	NA	MeJP	NA	NA
+MJ022063	1,7,9-Heptadecatriene-11,13,15-triyn-6-ol, Ac 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022064	1,7-Diphenyl-3,5-heptanediol, Diketone 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022065	1,7-Diphenyl-3,5-heptanediol, 1,2-Didehydro, 3-ketone(E-) 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022066	1,7-Diphenyl-3,5-heptanediol, 1,2:6,7-Tetradehydro, 3-ketone(E,E-) 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022067	1,7-Diphenyl-3,5-heptanediol, 6,7-Didehydro, 3-ketone(E-) 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022068	2,3-Dihydro-2-(1-methylethenyl)-4-(2-phenylethyl)-6-benzofuranol 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022069	2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022070	3',5-Di(2-propenyl)-2,4'-biphenyldiol; 4'-Me ether 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022071	5-Hydroxy-2,2-dimethyl-7-(2-phenylethyl)-2H-1-benzopyran 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022072	7,16-Epoxy-20-nor-5(10),6,8,11,13-cleistanthapentaen-3-one 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022073	7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022074	7-Hydroxy-2,2-dimethyl-5-(2-phenylethyl)-2H-1-benzopyran 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022075	9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-vinylphenanthrene; 7-Me ether 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022076	9,10-Dihydro-2,8-dihydroxy-1,6-dimethyl-5-vinylphenanthrene; 2-Me ether 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022077	Conocarpan, Me ether 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022078	Hermosillol 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022079	Isoequilenin, Me ether 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022080	Miltirone; 1,2-Didehydro 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022081	Radulanin A 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022082	Radulanin I 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022083	Tylimanthin B 	C19H20O2	280.146329	NA	MeJP	NA	NA
+MJ022084	Albifylline 	C13H20N4O3	280.15354	NA	MeJP	NA	NA
+MJ022085	Ciclosidomine 	C13H20N4O3	280.15354	NA	MeJP	NA	NA
+MJ022086	Lisofylline 	C13H20N4O3	280.15354	NA	MeJP	NA	NA
+MJ022087	9-Methoxyellipticine; 1,2,3,4-Tetrahydro 	C18H20N2O	280.157563	NA	MeJP	NA	NA
+MJ022088	Apparicine, 10-Hydroxy 	C18H20N2O	280.157563	NA	MeJP	NA	NA
+MJ022089	Fantridone 	C18H20N2O	280.157563	NA	MeJP	NA	NA
+MJ022090	1,6-Dihydroxy-3,11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022091	1,8-Dihydroxy-2,6,10-farnesatrien-15,1-olide; 1-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022092	13,14,15,16-Tetranor-1(10)-halimene-12,19-dioic acid 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022093	13,14,15,16-Tetranor-12,8-labdanolid-19-oic acid 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022094	13,14,15,16-Tetranor-3-clerodene-12,18-diol; ent-form, 12,18-Di-carboxylic acid 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022095	13,14,15,16-Tetranor-8(17)-labdene-12,19-dioic acid 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022096	2,5-Dihydroxy-3-methyl-6-nonyl-1,4-benzoquinone 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022097	2,5-Dihydroxy-4-isopropylbenzyl alcohol; 2,5-Di-Me ether, 7-(2-methylpropanoyl) 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022098	2-(3,4-Dihydroxyphenyl)tetrahydro-4-hydroxy-6-pentyl-2H-pyran 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022099	2-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-butanone; Tri-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022100	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022101	3,7-Dihydroxy-11-nor-8-drimen-12-al, 3-Ac 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022102	3-Hydroxy-8-oxo-6-eremophilen-12-oic acid, Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022103	3-Methyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-butanone; Tri-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022104	4,10-Dihydroxy-11(13)-guaien-12,8-olide, 10-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022105	4,5-Dioxo-4,5-seco-11(13)-eudesmen-12-oic acid; Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022106	5-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 5?-form, 5-Hydroperoxide, Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022107	5-Hydroxy-4-oxo-11(13)-iphionen-12-oic acid; Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022108	5-Hydroxy-7-oxo-10-pinguisen-12-oic acid, Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022109	6,8-Dihydroxy-3,11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022110	6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022111	6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022112	7,13-Dihydroxy-4-eudesmen-12,6-olide, 13-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022113	8,10-Dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022114	8-Hydroxy-10-(5-methyl-4-oxo-2-cyclopenten-1-yl)-9-decenoic acid 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022115	Antibiotic AM 6898C 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022116	Antibiotic Mer-WF 5027IIA 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022117	Brefeldin A 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022118	Furodysinin hydroperoxide 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022119	Hebelophyllene F 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022120	Illifunone, Di-Me ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022121	Moniliniol 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022122	Papuanone 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022123	Prehumulinic acid 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022124	Tagetolone 	C16H24O4	280.167459	NA	MeJP	NA	NA
+MJ022125	p-Mentha-1,3,5-triene-3,8,9-triol; 9-(2-Methylpropanoyl), 8-Et ether 	C16H24O4	280.167459	NA	MeJP	NA	NA
+C17748	1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone	C16H24O4	280.1675	NA	KEGG	NA	NA
+MJ022126	10,13-Dihydroxylupanine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022127	3,13-Dihydroxylupanine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022128	3,4-Dihydroxylupanine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022129	4,13-Dihydroxylupanine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022130	8,13-Dihydroxylupanine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022131	Calpurmenine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022132	Hydroxycaine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022133	Hydroxytetracaine 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022134	Lamprolobine, 6-Epimer, 1?-oxide 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022135	Lamprolobine, 9?-Hydroxy 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022136	Mefexamide 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022137	Sophoranol; 9?-Hydroxy 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+MJ022138	Sophoranol; N1-Oxide 	C15H24N2O3	280.178692	NA	MeJP	NA	NA
+C07049	Imipramine	C19H24N2	280.1939	NA	KEGG	NA	NA
+C07050	Transferred to D00345	C19H24N2	280.1939	NA	KEGG	NA	NA
+C09215	Ibogamine	C19H24N2	280.1939	NA	KEGG	NA	NA
+HMDB01848	Imipramine	C19H24N2	280.193939	NA	HMDB2010	NA	NA
+HMDB01848	Imipramine	C19H24N2	280.19394	http://www.hmdb.ca/metabolites/HMDB01848	HMDB	NA	NA
+HMDB01848	Imipramine	C19H24N2	280.19394	HMDB01848	PFEM_hmdb_metabocards_official	NA	NA
+MJ022139	20-Hydroxy-1,2-dehydro-?-aspidospermidine, Deoxy 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022140	?1-?-Aspidospermidine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022141	Aspidofractinine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022142	Aspidospermatidine; N-Me 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022143	Bamipine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022144	Capuronidine; Deoxy, 14,15-didehydro-1,2?-dihydro 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022145	Daledalin 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022146	Eburenine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022147	Eburnamenine, 16,17-Dihydro 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022148	Histapyrrodine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022149	Ibogamine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022150	Imipramine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022151	Monometacrine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022152	Ngouniensine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+MJ022153	Prazepine 	C19H24N2	280.193948	NA	MeJP	NA	NA
+C04867	Methyl	C17H28O3	280.2038	NA	KEGG	NA	NA
+MJ022154	1(10),4-Germacradiene-2,6-diol, 6-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022155	1(10),4-Germacradiene-6,8-diol, 8-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022156	1(10),5-Germacradiene-3,4-diol, 3-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022157	1,10-Bisaboladiene-3,12-diol; 12-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022158	1,10-Bisaboladiene-3,12-diol; 3-Epimer, 12-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022159	1,3-Elemadiene-8,11-diol; 8?-form, 8-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022160	1,4-Epoxy-6-eudesmanol, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022161	1,6,10-Farnesatriene-3,5-diol; 5-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022162	1,6,10-Farnesatriene-3,8-diol; 8-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022163	1,6,10-Farnesatriene-3,9-diol; 9-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022164	10(14)-Guaiene-4,11-diol, 11-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022165	10,11-Epoxy-12-guaianol, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022166	10,11-Epoxy-2-guaianal, 2-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022167	10-Hydroxy-4-oplopanone, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022168	11,12-Epoxy-11-drimanol; 11?-form, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022169	14,15,16-Trinor-13,8-labdanolide; 8?-form, 6?-Hydroxy 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022170	2,10-Bisaboladiene-1,12-diol; 12-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022171	2,10-Bisaboladiene-1,6-diol; 1-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022172	2,6,10-Farnesatriene-1,4-diol; 4-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022173	2,6,10-Farnesatriene-1,9-diol, 1-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022174	2,6,10-Farnesatriene-1,9-diol, 9-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022175	3,5-Dimethyl-2-furannonanoic acid; Et ester 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022176	3-(11-Dodecenylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022177	3-Eudesmene-1,11-diol, 1-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022178	3-Eudesmene-6,7-diol, 6-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022179	4(15)-Eudesmene-1,11-diol, 1-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022180	4(15)-Eudesmene-6,11-diol; 6?-form, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022181	4,10-Cyclofarnesadiene-2,9-diol; 2-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022182	4,7-Epoxy-6-eudesmanol, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022183	4-Eudesmene-1,11-diol, 1-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022184	5(1?10)-Abeo-1,8-patchoulanediol, 8-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022185	5,10(14)-Germacradiene-1,4-diol, 1-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022186	5,11-Epoxyguaiane, 9?-Acetoxy 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022187	6,7-Epoxy-2-humulen-1-ol, Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022188	6-Hydroxy-9-isopropyl-6-methyl-3,7-tridecadiene-2,12-dione 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022189	7-Hydroxy-10-heptadecen-8-ynoic acid 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022190	8-Daucene-5,7-diol, 7-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022191	9,10-Dihydroxy-4,6-heptadecadiyn-3-one, 3S(?)-Alcohol 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022192	Antibiotic PI 201 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022193	Antibiotic Ro 09-1547; 4-Me ether 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022194	Cavernosine 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022195	Fauronol; Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022196	Juvenile hormone II 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022197	Kanokonol; Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022198	Litsenolide A 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022199	Majorynolide; 16,17-Dihydro 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022200	Nakorone 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022201	Polygodial acetal 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022202	Raspailynes; Isoraspailyne B1 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022203	Raspailynes; Raspailyne B1 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022204	Trifarienol A; 14-Epimer, 15-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022205	Trifarienol A; 15-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022206	Valerianoid B; 8-Ac 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MJ022207	[3-Ethyl-5-methyl-5-(2-methylhexyl)-2(5H)-furanylidene]acetic acid, Me ester 	C17H28O3	280.203844	NA	MeJP	NA	NA
+MetaCyc02500	methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate []	C17H28O3	280.203845	NA	metacyc	NA	NA
+MJ022208	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; High-melting-form 	C16H28N2O2	280.215078	NA	MeJP	NA	NA
+MJ022209	2,5-Bis(1-hydroxy-3-methylbutyl)-3,6-dimethylpyrazine; Low-melting-form 	C16H28N2O2	280.215078	NA	MeJP	NA	NA
+MJ022210	Epipropidine 	C16H28N2O2	280.215078	NA	MeJP	NA	NA
+MJ022211	Phygrine 	C16H28N2O2	280.215078	NA	MeJP	NA	NA
+MJ022212	Tromantadine 	C16H28N2O2	280.215078	NA	MeJP	NA	NA
+EUR125	Linoleic acid	C18H32O2	280.2402	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR125	Linoleic acid	C18H32O2	280.2402	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR125	Linoleic acid	C18H32O2	280.2402	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR125	Linoleic acid	C18H32O2	280.2402	Wishlist	Inhousejuil11	NA	NA
+C01595	Linoleate	C18H32O2	280.2402	NA	KEGG	NA	NA
+C04056	9-cis,11-trans-Octadecadienoate	C18H32O2	280.2402	NA	KEGG	NA	NA
+C08282	Chaulmoogric acid	C18H32O2	280.2402	NA	KEGG	NA	NA
+C08321	Malvalic acid	C18H32O2	280.2402	NA	KEGG	NA	NA
+C08459	Stearolic acid	C18H32O2	280.2402	NA	KEGG	NA	NA
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00673	Linoleic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB00673	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05047	9E,11E-Octadecadienoic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB05047	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00673	Linoleic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB00673	HMDB	NA	NA
+HMDB03797	Bovinic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB03797	HMDB	NA	NA
+HMDB05047	9E,11E-Octadecadienoic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB05047	HMDB	NA	NA
+HMDB05048	10E,12Z-Octadecadienoic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB05048	HMDB	NA	NA
+HMDB06270	Linoelaidic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB06270	HMDB	NA	NA
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	HMDB	NA	NA
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	Inhouse_PFEM	NA	NA
+MJ022213	10,12-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022214	10-Methyl-6,9-heptadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022215	10-Propyl-5,9-tridecadien-1-ol, Ac 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022216	13-(2-Cyclopentenyl)tridecanoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022217	14-Hydroxy-2,6,10-trimethyl-10-pentadecen-4-one; 5,6-Didehydro 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022218	15,16-Dinor-8(17)-labdene-3,13-diol 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022219	16-Methyl-6,9-heptadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022220	16-Methyl-9,12-heptadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022221	3,6-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022222	3,7-Dimethyl-2,6-octadien-1-ol, Octanoyl 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022223	4,9-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022224	4-Methyl-7,11-heptadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022225	5,11-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022226	5,6-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022227	5,9-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022228	5-Hydroxy-14,15-dinor-13-labdanone 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022229	5-Octadecynoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022230	6,10,14-Trimethyl-5-pentadecene-2,12-dione 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022231	6,11-Hexadecadien-1-ol, Ac 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022232	6,11-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022233	6,9-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022234	6-Octadecynoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022235	7,11-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022236	9,11-Dodecadien-1-ol, Hexanoyl 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022237	9,12-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022238	9,15-Octadecadienoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022239	9-Octadecen-18-olide 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022240	9-Octadecynoic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022241	Araneosol 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MJ022242	Malvalic acid 	C18H32O2	280.24023	NA	MeJP	NA	NA
+MetaCyc02501	9-cis,12-cis-octadecadienoate []	C18H32O2	280.24023	60-33-3	metacyc	NA	NA
+MetaCyc02502	9-cis,11-trans-octadecadienoate []	C18H32O2	280.24023	872-23-1	metacyc	NA	NA
+MetaCyc02503	linoleate [linoleic acid;linoleate;9,12-linoleic acid;(9Z,12Z)-octadeca-9,12-dienoate;]	C18H32O2	280.24023	60-33-3	metacyc	NA	NA
+HMDB00673	Linoleic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB00673	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05047	9E,11E-Octadecadienoic acid	C18H32O2	280.24023	http://www.hmdb.ca/metabolites/HMDB05047	PFEM_hmdb_metabocards_blood	NA	blood
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR125	Linoleic acid	C18H32O2	280.24023	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00673	Linoleic acid	C18H32O2	280.24023	HMDB00673	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03797	Bovinic acid	C18H32O2	280.24023	HMDB03797	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05047	9E,11E-Octadecadienoic acid	C18H32O2	280.24023	HMDB05047	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05048	10E,12Z-Octadecadienoic acid	C18H32O2	280.24023	HMDB05048	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06270	Linoelaidic acid	C18H32O2	280.24023	HMDB06270	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00673	Linoleic acid	C18H32O2	280.240234	NA	HMDB2010	NA	NA
+HMDB03797	Bovinic acid	C18H32O2	280.240234	NA	HMDB2010	NA	NA
+HMDB05047	9E,11E-Octadecadienoic acid	C18H32O2	280.240234	NA	HMDB2010	NA	NA
+HMDB05048	10E,12Z-Octadecadienoic acid	C18H32O2	280.240234	NA	HMDB2010	NA	NA
+HMDB06270	Linoelaidic acid	C18H32O2	280.240234	NA	HMDB2010	NA	NA
+MJ022243	12-Nonadecen-9-one 	C19H36O	280.276615	NA	MeJP	NA	NA
+MJ022244	15-Nor-8-labdanol; 8?-form 	C19H36O	280.276615	NA	MeJP	NA	NA
+MJ022245	6,10,14-Trimethyl-2-methylenepentadecanal 	C19H36O	280.276615	NA	MeJP	NA	NA
+MJ022246	Cyclononadecanone 	C19H36O	280.276615	NA	MeJP	NA	NA
+HMDB04659	8-Isoprostane	C20H40	280.312988	NA	HMDB2010	NA	NA
+HMDB04659	8-Isoprostane	C20H40	280.31299	http://www.hmdb.ca/metabolites/HMDB04659	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04659	8-Isoprostane	C20H40	280.31299	http://www.hmdb.ca/metabolites/HMDB04659	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04659	8-Isoprostane	C20H40	280.31299	http://www.hmdb.ca/metabolites/HMDB04659	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04659	8-Isoprostane	C20H40	280.31299	http://www.hmdb.ca/metabolites/HMDB04659	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04659	8-Isoprostane	C20H40	280.31299	http://www.hmdb.ca/metabolites/HMDB04659	HMDB	NA	NA
+HMDB04659	8-Isoprostane	C20H40	280.31299	http://www.hmdb.ca/metabolites/HMDB04659	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04659	8-Isoprostane	C20H40	280.31299	HMDB04659	PFEM_hmdb_metabocards_official	NA	NA
+MJ022247	1-Eicosene 	C20H40	280.313001	NA	MeJP	NA	NA
+MJ022248	10,14-Dimethyl-1-octadecene 	C20H40	280.313001	NA	MeJP	NA	NA
+MJ022249	10-Eicosene 	C20H40	280.313001	NA	MeJP	NA	NA
+MJ022250	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane 	C20H40	280.313001	NA	MeJP	NA	NA
+MJ022251	3-Eicosene 	C20H40	280.313001	NA	MeJP	NA	NA
+MJ022252	7-(1,2-Dicarbadodecaboran-1-yl)-dodecahydro-7,8-dicarbaundecaborate(1-) 	C4H22B19(-)	280.356779	NA	MeJP	NA	NA
+2719	erythromycin inhibitor	MVLTV	280.6537	MH2+	Inhouse_peptide	NA	peptide
+3525	ACE inhibitor	VHIPP	280.657	MH2+	Inhouse_peptide	NA	peptide
+3526	ACE inhibitor	VHLPP	280.657	MH2+	Inhouse_peptide	NA	peptide
+MJ022253	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; Me ester 	C6H5Br2NO2	280.868703	NA	MeJP	NA	NA
+MJ022254	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-Me 	C6H5Br2NO2	280.868703	NA	MeJP	NA	NA
+MJ022255	2',3'-Dichlorodiphenylamine-2-carboxylic acid 	C13H9Cl2NO2	281.001033	NA	MeJP	NA	NA
+MJ022256	Perfragilin A; 7-Deamino, 7-methylthio 	C12H11NO3S2	281.018034	NA	MeJP	NA	NA
+MJ022257	Ajocysteine 	C9H15NO3S3	281.021405	NA	MeJP	NA	NA
+MJ022258	Fenclozic acid; Et ester 	C13H12ClNO2S	281.027727	NA	MeJP	NA	NA
+MJ022259	Ontianil 	C13H12ClNO2S	281.027727	NA	MeJP	NA	NA
+C15427	2-Amino-1,2-bis(p-chlorophenyl)ethanol	C14H13Cl2NO	281.0374	NA	KEGG	NA	NA
+PJ000163	GCC 	C8H15N3O4S2	281.0504	NA	PeJP	NA	NA
+MJ022260	2,5-Dihydro-2-(5-methyl-3-thienyl)-3H-pyrazolo[4,3-c]quinolin-3-one 	C15H11N3OS	281.062282	NA	MeJP	NA	NA
+MJ022261	Flufenamic acid 	C14H10F3NO2	281.066363	NA	MeJP	NA	NA
+MJ022262	Salfluverine 	C14H10F3NO2	281.066363	NA	MeJP	NA	NA
+C13038	Flufenamic acid	C14H10F3NO2	281.0664	NA	KEGG	NA	NA
+C13039	Transferred to D01582	C14H10F3NO2	281.0664	NA	KEGG	NA	NA
+C13040	Transferred to D01583	C14H10F3NO2	281.0664	NA	KEGG	NA	NA
+C13041	Transferred to D01584	C14H10F3NO2	281.0664	NA	KEGG	NA	NA
+C13042	Transferred to D01585	C14H10F3NO2	281.0664	NA	KEGG	NA	NA
+C13043	Transferred to D01586	C14H10F3NO2	281.0664	NA	KEGG	NA	NA
+C15048	7-(Acetyloxy)-3-(3-pyridinyl)-2H-1-benzopyran-2-one	C16H11NO4	281.0688	NA	KEGG	NA	NA
+MJ022263	1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether 	C16H11NO4	281.068807	NA	MeJP	NA	NA
+MJ022264	Buxifoliadine F 	C16H11NO4	281.068807	NA	MeJP	NA	NA
+MJ022265	Doryflavine 	C16H11NO4	281.068807	NA	MeJP	NA	NA
+MJ022266	Glucose 3-nitropropanoates; 6-O-(3-Nitropropanoyl)-?-D-glucopyranoside 	C9H15NO9	281.074681	NA	MeJP	NA	NA
+MJ022267	Glucose 3-nitropropanoates; 6-O-(3-Nitropropanoyl)-?-D-glucopyranose 	C9H15NO9	281.074681	NA	MeJP	NA	NA
+C11501	9-Riburonosyladenine	C10H11N5O5	281.076	NA	KEGG	NA	NA
+MJ022268	Adenosine-5'-uronic acid 	C10H11N5O5	281.076018	NA	MeJP	NA	NA
+C07487	Nitrazepam	C15H11N3O3	281.08	NA	KEGG	NA	NA
+MJ022269	Nitrazepam 	C15H11N3O3	281.080041	NA	MeJP	NA	NA
+HMDB04816	FAPy-adenine	C15H11N3O3	281.08005	http://www.hmdb.ca/metabolites/HMDB04816	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04816	FAPy-adenine	C15H11N3O3	281.08005	http://www.hmdb.ca/metabolites/HMDB04816	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04816	FAPy-adenine	C15H11N3O3	281.08005	http://www.hmdb.ca/metabolites/HMDB04816	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04816	FAPy-adenine	C15H11N3O3	281.08005	http://www.hmdb.ca/metabolites/HMDB04816	HMDB	NA	NA
+HMDB04816	FAPy-adenine	C15H11N3O3	281.08005	HMDB04816	PFEM_hmdb_metabocards_official	NA	NA
+C02809	Albendazole S-oxide	C12H15N3O3S	281.0834	NA	KEGG	NA	NA
+MJ022270	Albendazole; S-Oxide 	C12H15N3O3S	281.083412	NA	MeJP	NA	NA
+MJ022271	Glipalamide 	C12H15N3O3S	281.083412	NA	MeJP	NA	NA
+MetaCyc02504	albendazole s-oxide []	C12H15N3O3S1	281.083412	NA	metacyc	NA	NA
+C05595	4-Hydroxyphenylacetylglutamic acid	C13H15NO6	281.0899	NA	KEGG	NA	NA
+HMDB06061	4-Hydroxyphenylacetylglutamine	C13H15NO6	281.089935	NA	HMDB2010	NA	NA
+MJ022272	Antibiotic A 58365B 	C13H15NO6	281.089937	NA	MeJP	NA	NA
+HMDB06061	4-Hydroxyphenylacetylglutamine	C13H15NO6	281.08994	http://www.hmdb.ca/metabolites/HMDB06061	HMDB	NA	NA
+HMDB06061	4-Hydroxyphenylacetylglutamine	C13H15NO6	281.08994	HMDB06061	PFEM_hmdb_metabocards_official	NA	NA
+MJ022273	Benzodepa 	C12H16N3O3P	281.092927	NA	MeJP	NA	NA
+MJ022274	Agaritine, 7'-Carboxylic acid 	C12H15N3O5	281.10117	NA	MeJP	NA	NA
+MJ022275	Anthglutin 	C12H15N3O5	281.10117	NA	MeJP	NA	NA
+MJ022276	2-(4-Hydroxyphenyl)-1-methyl-4(1H)-quinolinone; 6-Methoxy 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022277	4-Hydroxy-2-[4-(2-pyridinyl)-1,3-butadienyl]benzoic acid; Me ester 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022278	5-(3,4-Dimethoxyphenyl)-2-phenyloxazole 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022279	Acronydine; 5-Demethoxy 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022280	Anolobine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022281	Anonaine, 4R-Hydroxy 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022282	Assoanine; 7-Oxo 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022283	Cissaglaberrimine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022284	Constrictosine; 5,6-Dihydro 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022285	Crykonisine; O7-De-Me 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022286	Dutadrupine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022287	Erythraline, 8-Oxo, demethoxy 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022288	Folimidine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022289	Indoprofen 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022290	Norushinsunine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022291	Obovanine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022292	Oliveroline, N-De-Me 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022293	Vitricine 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+MJ022294	Zefbetaine; Me ether 	C17H15NO3	281.105193	NA	MeJP	NA	NA
+C09338	Annolobine	C17H15NO3	281.1052	NA	KEGG	NA	NA
+C10572	Balsoxine	C17H15NO3	281.1052	NA	KEGG	NA	NA
+C12236	Oxoassoanine	C17H15NO3	281.1052	NA	KEGG	NA	NA
+C16997	Michelalbine	C17H15NO3	281.1052	NA	KEGG	NA	NA
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.112396	NA	HMDB2010	NA	NA
+HMDB04044	N6-Methyladenosine	C11H15N5O4	281.112396	NA	HMDB2010	NA	NA
+HMDB04326	2'-O-Methyladenosine	C11H15N5O4	281.112396	NA	HMDB2010	NA	NA
+HMDB06023	3'-O-Methyladenosine	C11H15N5O4	281.112396	NA	HMDB2010	NA	NA
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB03331	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB03331	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB03331	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB03331	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB03331	HMDB	NA	NA
+HMDB04044	N6-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB04044	HMDB	NA	NA
+HMDB04326	2'-O-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB04326	HMDB	NA	NA
+HMDB06023	3'-O-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB06023	HMDB	NA	NA
+C02494	1-Methyladenosine	C11H15N5O4	281.1124	NA	KEGG	NA	NA
+C05031	O6-Methyl-2'-deoxyguanosine	C11H15N5O4	281.1124	NA	KEGG	NA	NA
+C05034	Peptide(-Arg)	C8H16N5O3R	281.1124	NA	KEGG	NA	NA
+C05035	Peptide(-Leu)	C8H15N2O3R	281.1124	NA	KEGG	NA	NA
+C05036	Peptide(-Lys)	C8H16N3O3R	281.1124	NA	KEGG	NA	NA
+C05037	Peptide(-Phe)	C13H15N3O4R2	281.1124	NA	KEGG	NA	NA
+C05038	Peptide(-Trp)	C15H16N4O4R2	281.1124	NA	KEGG	NA	NA
+C05039	Peptide(-Tyr)	C11H13N2O4R	281.1124	NA	KEGG	NA	NA
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	http://www.hmdb.ca/metabolites/HMDB03331	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03331	1-Methyladenosine	C11H15N5O4	281.1124	HMDB03331	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04044	N6-Methyladenosine	C11H15N5O4	281.1124	HMDB04044	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04326	2'-O-Methyladenosine	C11H15N5O4	281.1124	HMDB04326	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06023	3'-O-Methyladenosine	C11H15N5O4	281.1124	HMDB06023	PFEM_hmdb_metabocards_official	NA	NA
+MJ022295	1-Methyladenosine 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022296	2'-C-Methyladenosine 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022297	2'-O-Methyladenosine 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022298	2-Methoxyadenosine; 2'-Deoxy 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022299	2-Methyladenosine 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022300	Adenosine; 6-N-Me 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022301	Euglenapterin 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MJ022302	Pyrizinostatin 	C11H15N5O4	281.112403	NA	MeJP	NA	NA
+MetaCyc02505	1-methyladenosine []	C11H15N5O4	281.112404	15763-06-1	metacyc	NA	NA
+MJ022303	4,5-Dihydro-5-methyl-6-[4-(4-oxo-1(4H)-pyridinyl)phenyl]-3(2H)-pyridazinone 	C16H15N3O2	281.116426	NA	MeJP	NA	NA
+C14599	2,3,3-Triphenylacrylonitrile	C21H15N	281.1204	NA	KEGG	NA	NA
+MJ022304	Prothixene 	C18H19NS	281.12382	NA	MeJP	NA	NA
+C10150	Harzianopyridone	C14H19NO5	281.1263	NA	KEGG	NA	NA
+MJ022305	4-(3,4,5-Trimethoxybenzoyl)morpholine 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022306	Dicrotaline 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022307	Harzianopyridone 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022308	Mortivinacin C 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022309	Peyoruvic acid; Me ether 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022310	Sanfetrinem 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022311	Spirostaphylotrichin E; 7-Alcohol 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022312	Spirostaphylotrichin O 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022313	Spirostaphylotrichin T 	C14H19NO5	281.126322	NA	MeJP	NA	NA
+MJ022314	4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine 	C17H16FN3	281.132825	NA	MeJP	NA	NA
+MJ022315	Lufironil 	C13H19N3O4	281.137556	NA	MeJP	NA	NA
+C11019	Pendimethalin	C13H19N3O4	281.1376	NA	KEGG	NA	NA
+MJ022316	Diminazene 	C14H15N7	281.138893	NA	MeJP	NA	NA
+MJ022317	Bharatamine 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022318	Carbazoquinocin; Antibiotic WS 63967A 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022319	Euchrestine A 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022320	Isbogrel 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022321	Lirinidine 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022322	Nuciferine, N-De-Me 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022323	Nuciferine, O2-De-Me 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022324	Nuciferine, N-De-Me 	C18H19NO2	281.141578	NA	MeJP	NA	NA
+MJ022325	Assoanine; N-Me 	C18H20NO2(+)	281.141578	NA	MeJP	NA	NA
+MJ022326	Ofornine 	C17H19N3O	281.152812	NA	MeJP	NA	NA
+MJ022327	Phentolamine 	C17H19N3O	281.152812	NA	MeJP	NA	NA
+MJ022328	Piberaline 	C17H19N3O	281.152812	NA	MeJP	NA	NA
+2574	tuftsin	YKPR	281.155	MH2+	Inhouse_peptide	NA	peptide
+8177	tuftsin (human Fc region of IgG)	YKPR	281.155	MH2+	Inhouse_peptide	NA	peptide
+7661	ACE inhibitor from as1-CN (136-139)	LFRQ	281.1555	MH2+	Inhouse_peptide	NA	peptide
+MJ022329	Xanomeline 	C14H23N3OS	281.156183	NA	MeJP	NA	NA
+C11767	Xanomeline	C14H23N3OS	281.1562	NA	KEGG	NA	NA
+C06685	Cycloheximide	C15H23NO4	281.1627	NA	KEGG	NA	NA
+MJ022330	1,2,3,4-Tetrahydro-5,6,7,8-tetramethoxy-1-methylisoquinoline; N-Me 	C15H23NO4	281.162708	NA	MeJP	NA	NA
+MJ022331	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione 	C15H23NO4	281.162708	NA	MeJP	NA	NA
+MJ022332	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl, 6-Ac 	C15H23NO4	281.162708	NA	MeJP	NA	NA
+MJ022333	Antibiotic A 75943 	C15H23NO4	281.162708	NA	MeJP	NA	NA
+MJ022334	Roxadimate 	C15H23NO4	281.162708	NA	MeJP	NA	NA
+MetaCyc02506	cycloheximide []	C15H23N1O4	281.162708	NA	metacyc	NA	NA
+MJ022335	N-(1-Adamantyl)-P,P-bis(aziridinyl)phosphinic amide 	C14H24N3OP	281.165698	NA	MeJP	NA	NA
+MJ022336	2,4,12-Tetradecatriene-8,10-diynoic acid, Piperidide 	C19H23NO	281.177964	NA	MeJP	NA	NA
+MJ022337	2,4,6,12-Tetradecatetraene-8,10-diynoic acid, 3-Methylbutylamide 	C19H23NO	281.177964	NA	MeJP	NA	NA
+MJ022338	2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone 	C19H23NO	281.177964	NA	MeJP	NA	NA
+MJ022339	Alimadol 	C19H23NO	281.177964	NA	MeJP	NA	NA
+MJ022340	Cinnamedrine 	C19H23NO	281.177964	NA	MeJP	NA	NA
+MJ022341	Diphenylpyraline 	C19H23NO	281.177964	NA	MeJP	NA	NA
+MJ022342	Amifloverine 	C16H27NO3	281.199093	NA	MeJP	NA	NA
+MJ022343	4,4-Diphenyl-2-butylamine, N-tert-Butyl 	C20H27N	281.214349	NA	MeJP	NA	NA
+MJ022344	Bis(3-phenylpropyl)amine; N-Et 	C20H27N	281.214349	NA	MeJP	NA	NA
+MJ022345	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-Nonanoyl 	C17H31NO2	281.235479	NA	MeJP	NA	NA
+HMDB02080	Petroselinic acid	C18H33O2	281.248047	NA	HMDB2010	NA	NA
+HMDB02080	Petroselinic acid	C18H33O2	281.24805	http://www.hmdb.ca/metabolites/HMDB02080	HMDB	NA	NA
+HMDB02080	Petroselinic acid	C18H33O2	281.24805	HMDB02080	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02117	Oleamide	C18H35NO	281.271851	NA	HMDB2010	NA	NA
+MJ022346	9-Octadecenoic acid, Amide 	C18H35NO	281.271864	NA	MeJP	NA	NA
+MJ022347	2,5-Dialkylpyrrolidines; 2-Hexyl-5-nonylpyrrolidine 	C19H39N	281.30825	NA	MeJP	NA	NA
+MJ022348	2-Methyl-6-tridecylpiperidine 	C19H39N	281.30825	NA	MeJP	NA	NA
+MJ022349	2-Tetradecylpyrrolidine, N-Me 	C19H39N	281.30825	NA	MeJP	NA	NA
+MJ022350	1,1-Dibromo-3,3-dichloro-2-propanone 	C3H2Br2Cl2O	281.784945	NA	MeJP	NA	NA
+MJ022351	1,3-Dibromo-1,3-dichloro-2-propanone 	C3H2Br2Cl2O	281.784945	NA	MeJP	NA	NA
+MJ022352	Barium selenate(VI) 	BaO4Se	281.801421	NA	MeJP	NA	NA
+MJ022353	Carbonyl iodide 	CI2O	281.803851	NA	MeJP	NA	NA
+C11042	Hexachlorobenzene	C6Cl6	281.8131	NA	KEGG	NA	NA
+MJ022354	2,4-Dibromo-1,3,5-benzenetriol 	C6H4Br2O3	281.852719	NA	MeJP	NA	NA
+MJ022355	2,2'-Dithiobisethanesulfonic acid 	C4H10O6S4	281.93602	NA	MeJP	NA	NA
+MJ022356	2-Bromo-4-chloro-1-(2-chloroethenyl)-1-methyl-5-methylenecyclohexane 	C10H13BrCl2	281.957768	NA	MeJP	NA	NA
+MJ022357	5-Bromo-4-chloro-1-chloroethenyl-2,4-dimethylcyclohexene 	C10H13BrCl2	281.957768	NA	MeJP	NA	NA
+MJ022358	Plocamadiene A 	C10H13BrCl2	281.957768	NA	MeJP	NA	NA
+MJ022359	Plocamene D' 	C10H13BrCl2	281.957768	NA	MeJP	NA	NA
+MJ022360	1-Chloro-2,2-bis(4'-chlorophenyl)ethylene 	C14H9Cl3	281.976983	NA	MeJP	NA	NA
+C06637	1-Chloro-2,2-bis(4'-chlorophenyl)ethylene	C14H9Cl3	281.977	NA	KEGG	NA	NA
+MJ022361	2-(1-Propynyl)-5-(1-hydroxy-2-chloroethyl)dithiophene 	C13H11ClOS2	281.993984	NA	MeJP	NA	NA
+MJ022362	4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 1-Deoxy, 1-chloro 	C13H11ClOS2	281.993984	NA	MeJP	NA	NA
+MJ022363	2-Amino-3-pyridinecarboxylic acid; N-(2,3-Dichlorophenyl) 	C12H8Cl2N2O2	281.996282	NA	MeJP	NA	NA
+MJ022364	1,1,1-Trichloro-2-hydroxy-2,5,7-undecatrien-4-one 	C11H13Cl3O2	281.998112	NA	MeJP	NA	NA
+MJ022365	5-Bromotryptophan 	C11H11BrN2O2	282.00039	NA	MeJP	NA	NA
+MJ022366	Ochtodiol 	C10H16BrClO2	282.00222	NA	MeJP	NA	NA
+MJ022367	Helipandurin 	C13H11ClO3S	282.011742	NA	MeJP	NA	NA
+MJ022368	Batzelline A 	C12H11ClN2O2S	282.022976	NA	MeJP	NA	NA
+MJ022369	Bikojic acid 	C12H10O8	282.037567	NA	MeJP	NA	NA
+MJ022370	Hexahydroxy-1,4-naphthoquinone; 2,6-Di-Me ether 	C12H10O8	282.037567	NA	MeJP	NA	NA
+MJ022371	Hexahydroxy-1,4-naphthoquinone; 2,7-Di-Me ether 	C12H10O8	282.037567	NA	MeJP	NA	NA
+MJ022372	Hydroxypropanedioic acid; 2-O-(3,4-Dihydroxycinnamoyl) 	C12H10O8	282.037567	NA	MeJP	NA	NA
+MJ022373	Kojic acid dimer 	C12H10O8	282.037567	NA	MeJP	NA	NA
+MJ022374	Rhaponthienylenol 	C13H14O3S2	282.038435	NA	MeJP	NA	NA
+MJ022375	Etoprine 	C12H12Cl2N4	282.043901	NA	MeJP	NA	NA
+MJ022376	Bensuldazic acid 	C12H14N2O2S2	282.049669	NA	MeJP	NA	NA
+C08722	4,5-Methylenedioxy-6-hydroxyaurone	C16H10O5	282.0528	NA	KEGG	NA	NA
+C10522	Pseudobaptigenin	C16H10O5	282.0528	NA	KEGG	NA	NA
+FL1AE9NS0001	4,5-Methylenedioxy-6-hydroxyaurone;Cephalocerone;(Z)-4-Hydroxy-7-(phenylmethylene)-furo[3,2-e]-1,3-benzodioxol-8(7H)-one	C16H10O5	282.05282	135383-79-8	knapsack	NA	NA
+FLIA1ANM0001	Corylinal	C16H10O5	282.05282	65615-46-5	knapsack	NA	NA
+FLIA1CNS0001	Pseudobaptigenin	C16H10O5	282.05282	90-29-9	knapsack	NA	NA
+FLIDWXNS0011	3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene	C16H10O5	282.05282	59901-98-3	knapsack	NA	NA
+FLIE1ANS0002	9-O-Methylcoumestrol;4'-O-Methylcoumestrol;3-Hydroxy-9-methoxycoumestan	C16H10O5	282.05282	1690-62-6	knapsack	NA	NA
+FLIE9CNM0001	8,9-Dihydroxy-1-methylcoumestan;Mutisifurocoumarin	C16H10O5	282.05282	115532-07-5	knapsack	NA	NA
+MJ022377	1,3-Dihydroxyanthraquinone-2-carboxaldehyde; Me ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022378	2',6,7-Trihydroxyisoflavone; 6,7-Methylene ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022379	2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 6-Me ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022380	2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 7-Me ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022381	3,8,9-Trihydroxypterocarpene; 8,9-Methylene ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022382	4,5,6-Trihydroxyaurone; 4,5-Methylene ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022383	4,5-Dihydroxyanthraquinone-2-carboxylic acid; Aldehyde, 5-Me ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022384	5,6,7-Trihydroxyflavone; 6,7-Methylene ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022385	7-Hydroxy-3',4'-methylenedioxyisoflavone 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022386	8,10-Dihydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022387	8-Hydroxyanthraquinone-2-carboxylic acid; Me ester 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022388	Corylinal 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022389	Coumestrol; 3-Me ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022390	Coumestrol; 9-Me ether 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MJ022391	Mutisifurocoumarin 	C16H10O5	282.052823	NA	MeJP	NA	NA
+MetaCyc02507	cephalocerone []	C16H10O5	282.052823	NA	metacyc	NA	NA
+MetaCyc02508	pseudobaptigenin []	C16H10O5	282.052823	NA	metacyc	NA	NA
+MJ022392	7-Hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one; O-Ethanesulfonyl 	C13H14O5S	282.056194	NA	MeJP	NA	NA
+C11631	9-Riburonosylhypoxanthine	C10H10N4O6	282.06	NA	KEGG	NA	NA
+C13698	Niflumic acid	C13H9F3N2O2	282.0616	NA	KEGG	NA	NA
+MJ022393	Niflumic acid 	C13H9F3N2O2	282.061612	NA	MeJP	NA	NA
+MJ022394	Triflocin 	C13H9F3N2O2	282.061612	NA	MeJP	NA	NA
+MJ022395	1,6-Phenazinedicarboxylic acid; Mono-Me ester 	C15H10N2O4	282.064056	NA	MeJP	NA	NA
+MJ022396	10-Hydroxy-3-methoxy-2,6-canthindione 	C15H10N2O4	282.064056	NA	MeJP	NA	NA
+MJ022397	Nigakinone; N-Oxide 	C15H10N2O4	282.064056	NA	MeJP	NA	NA
+MJ022398	Picrasidine W 	C15H10N2O4	282.064056	NA	MeJP	NA	NA
+C14265	N-(p-Nitrobenzyl)phthalimide	C15H10N2O4	282.0641	NA	KEGG	NA	NA
+MJ022399	Mycorrhizin A 	C14H15ClO4	282.065886	NA	MeJP	NA	NA
+MJ022400	Mycorrhizinol 	C14H15ClO4	282.065886	NA	MeJP	NA	NA
+MJ022401	Dehydrobufotenine; O-Hydrogen sulfate inner salt 	C12H14N2O4S	282.067427	NA	MeJP	NA	NA
+C15452	4,4'-Diaminostilbene dihydrochloride	C14H14N2	282.0691	NA	KEGG	NA	NA
+MJ022402	Beclotiamine(1+) 	C12H16ClN4S(+)	282.070594	NA	MeJP	NA	NA
+CJneg0494	N-Acetyltryptophan isomer [(M+Cl)]-	C13H14ClN2O3	282.077625	C18rt(min)=7 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0494	N-Acetyltryptophan isomer [(M+Cl)]-	C13H14ClN2O3	282.077625	C18rt(min)=7 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ022403	Netivudine 	C12H14N2O6	282.085186	NA	MeJP	NA	NA
+MJ022404	Speranberculatine A 	C12H14N2O6	282.085186	NA	MeJP	NA	NA
+C10029	5,7-Dimethoxyflavone	C17H14O4	282.0892	NA	KEGG	NA	NA
+C10244	Agrostophyllin	C17H14O4	282.0892	NA	KEGG	NA	NA
+C15052	7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin	C17H14O4	282.0892	NA	KEGG	NA	NA
+FL1CQUNC0001	Cryptocaryone	C17H14O4	282.0892	39012-05-0	knapsack	NA	NA
+FL1DHXNF0001	Castillene E	C17H14O4	282.0892	126585-64-6	knapsack	NA	NA
+FL3F39NS0001	7,8-Dimethoxyflavone	C17H14O4	282.0892	-	knapsack	NA	NA
+FL3F99NS0006	5,6-Dimethoxyflavone	C17H14O4	282.0892	33554-48-2	knapsack	NA	NA
+FL3F99NS0007	6,3'-Dimethoxyflavone	C17H14O4	282.0892	71592-46-6	knapsack	NA	NA
+FL3F9ANM0001	Saltillin	C17H14O4	282.0892	33500-23-1	knapsack	NA	NA
+FL3FA9NM0002	5-Hydroxy-7-methoxy-6-methylflavone;6-Methyltectochrysin;5-Hydroxy-7-methoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one	C17H14O4	282.0892	55969-57-8	knapsack	NA	NA
+FL3FA9NM0006	Matteuorien;5,7-Dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one	C17H14O4	282.0892	171439-53-5	knapsack	NA	NA
+FL3FA9NS0001	5,7-Dimethoxyflavone;chrysin 5,7-dimethyl ether	C17H14O4	282.0892	21392-57-4	knapsack	NA	NA
+FL5F19NS0002	3,7-Dimethoxyflavone;3,7-Dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O4	282.0892	20950-52-1	knapsack	NA	NA
+FLIA1ANS0004	7,4'-Di-O-methyldaidzein	C17H14O4	282.0892	1157-39-7	knapsack	NA	NA
+FLIAA9NS0002	5,7-Dimethoxyisoflavone	C17H14O4	282.0892	26964-35-2	knapsack	NA	NA
+FLIDWXNS0002	Anhydrovariabilin;3,9-Dimethoxypterocarpene	C17H14O4	282.0892	1433-08-5	knapsack	NA	NA
+FLNA29NS0002	Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin	C17H14O4	282.0892	1857-05-2	knapsack	NA	NA
+MJ022405	1,2,5,8-Tetrahydro-7-methoxy-10-methyl-5,8-dioxo-3-phenanthrenecarboxaldehyde 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022406	1,3-Dihydroxy-2-methylanthraquinone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022407	1,8-Dihydroxy-3-methylanthraquinone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022408	2',7-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022409	2,3-Dihydroxy-6-methylanthraquinone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022410	3',6-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022411	3,5-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022412	3,7-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022413	3,9-Dihydroxypterocarpene; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022414	4',5-Dihydroxy-7-methylflavone; 4'-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022415	4',7-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022416	4',7-Dihydroxyisoflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022417	5,6-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022418	5,7-Dihydroxy-6,8-dimethylflavone 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022419	5,7-Dihydroxy-6-methylflavone; 7-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022420	5,7-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022421	5,7-Dihydroxyisoflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022422	5,8-Dihydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022423	6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022424	7,8-Dihydroxyflavone; Di-Me ether 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022425	7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, Di-Ac 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022426	7-(3-Hydroxyphenyl)-2-heptene-4,6-diyn-1-ol, 3-Me ether, 1-Ac 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022427	7-Acetyl-8-hydroxy-2-(2-oxopropyl)naphtho[1,8-bc]pyran 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022428	9,10-Dimethoxy-2-methyl-1,4-anthraquinone 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022429	Agrostophyllin 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022430	Bonducellin 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022431	Castillene E 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022432	Cryptocaryone 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022433	Eupomatenoid 10 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022434	Nortanshinone; 15,16-Dihydro (R-) 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022435	Oruwalol 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022436	Oxindanac 	C17H14O4	282.089208	NA	MeJP	NA	NA
+MJ022437	2-O-?-D-Xylopyranosyl-D-xylose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022438	2-O-?-D-Xylopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022439	2-O-?-L-Arabinofuranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022440	3,4-Dihydroxybutanoic acid, 3-O-?-D-Glucopyranoside 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022441	3-O-?-D-Xylopyranosyl-D-xylose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022442	3-O-?-D-Xylopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022443	3-O-?-L-Arabinofuranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022444	3-O-?-L-Arabinopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022445	3-O-?-D-Xylopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022446	3-O-?-L-Arabinofuranosyl-D-xylose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022447	3-O-?-L-Arabinofuranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022448	3-O-?-L-Arabinopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022449	4-O-?-D-Xylopyranosyl-D-xylose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022450	4-O-?-D-Xylopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022451	4-O-?-D-Xylopyranosyl-D-xylose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022452	4-O-?-L-Arabinopyranosyl-D-xylose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022453	5-O-?-D-Xylopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022454	5-O-?-D-Xylopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022455	5-O-?-L-Arabinofuranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+MJ022456	5-O-?-L-Arabinopyranosyl-L-arabinose 	C10H18O9	282.095082	NA	MeJP	NA	NA
+C01630	Xylobiose	C10H18O9	282.0951	NA	KEGG	NA	NA
+CJpos0679	Methylinosine [(M+H)]+	C11H15N4O5	282.095875	C18rt(min)=4.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0679	Methylinosine [(M+H)]+	C11H15N4O5	282.095875	C18rt(min)=4.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02243	8-Oxocoformycin	C11H14N4O5	282.0964	NA	KEGG	NA	NA
+C02244	Aliphatic amide	C11H14N4O5	282.0964	NA	KEGG	NA	NA
+C02245	Alkyl sulfenate	HSOR	282.0964	NA	KEGG	NA	NA
+C02246	Angiotensinogen	HSOR	282.0964	NA	KEGG	NA	NA
+HMDB02721	1-Methylinosine	C11H14N4O5	282.096405	NA	HMDB2010	NA	NA
+HMDB02721	1-Methylinosine	C11H14N4O5	282.09641	http://www.hmdb.ca/metabolites/HMDB02721	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02721	1-Methylinosine	C11H14N4O5	282.09641	http://www.hmdb.ca/metabolites/HMDB02721	HMDB	NA	NA
+HMDB02721	1-Methylinosine	C11H14N4O5	282.09641	http://www.hmdb.ca/metabolites/HMDB02721	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02721	1-Methylinosine	C11H14N4O5	282.09641	HMDB02721	PFEM_hmdb_metabocards_official	NA	NA
+MJ022457	6-Methylnebularine; 1''-Hydroxy 	C11H14N4O5	282.096419	NA	MeJP	NA	NA
+MJ022458	9-?-D-Arabinofuranosyl-6-methoxy-9H-purine 	C11H14N4O5	282.096419	NA	MeJP	NA	NA
+MJ022459	9-Deazaguanosine 	C11H14N4O5	282.096419	NA	MeJP	NA	NA
+MJ022460	Inosine; 1H-form, 1-Me 	C11H14N4O5	282.096419	NA	MeJP	NA	NA
+MetaCyc02509	8-oxocoformycin []	C11H14N4O5	282.09642	NA	metacyc	NA	NA
+CJneg0495	Methylinosine [(M-H)]-	C11H13N4O5	282.096925	C18rt(min)=4.45 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0495	Methylinosine [(M-H)]-	C11H13N4O5	282.096925	C18rt(min)=4.45 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ022461	10-Bromo-2,7(14)-chamigradiene 	C15H23Br	282.098313	NA	MeJP	NA	NA
+MJ022462	10-Bromo-2,7-chamigradiene 	C15H23Br	282.098313	NA	MeJP	NA	NA
+C12118	Saphenic acid methyl ester	C16H14N2O3	282.1004	NA	KEGG	NA	NA
+MJ022463	1,4-Dihydro-4-oxo-7-(1H-pyrrol-1-yl)-3-quinolinecarboxylic acid; N-Et 	C16H14N2O3	282.100442	NA	MeJP	NA	NA
+MJ022464	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Me ester 	C16H14N2O3	282.100442	NA	MeJP	NA	NA
+MJ022465	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Me ether 	C16H14N2O3	282.100442	NA	MeJP	NA	NA
+MJ022466	Bendazac 	C16H14N2O3	282.100442	NA	MeJP	NA	NA
+MJ022467	Nybomycin; Deoxy 	C16H14N2O3	282.100442	NA	MeJP	NA	NA
+MJ022468	1-[6-(2-Penten-4-ynyl)-2,5-dioxabicyclo[2.2.1]hept-3-yl]-4-pentene-2,3-diol; 3-Deoxy, 3-chloro 	C15H19ClO3	282.102272	NA	MeJP	NA	NA
+MJ022469	?-(3-Chloro-1-propenyl)-6-(2-penten-4-ynyl)-2,5-dioxabicyclo[2.2.1]heptane-3-ethanol 	C15H19ClO3	282.102272	NA	MeJP	NA	NA
+MJ022470	Tolpentamide 	C13H18N2O3S	282.103813	NA	MeJP	NA	NA
+C14657	2,3-Diphenyl-1-indanone	C21H14O	282.1045	NA	KEGG	NA	NA
+MJ022471	2'-Amino-2'-deoxyguanosine 	C10H14N6O4	282.107652	NA	MeJP	NA	NA
+C00939	2-Aminoadenosine	C10H14N6O4	282.1077	NA	KEGG	NA	NA
+8219	antioxidative peptide	TY	282.11	NA  ;SYN:(carboxymethyl)-Guanidine; 2-[[Amino(imino)methyl]amino]acetate; 2-[[Amino(imino)methyl]amino]acetic acid; Betacyamine; Betasyamine; Glycocyamine; Guanidineacetate; Guanidineacetic acid; Guanidinoacetate; Guanidinoacetic acid; Guanidoacetate; Guanidoacetic acid; Guanidylacetate; Guanidylacetic acid; Guanyl glycine; N-Amidinoglycine; N-amidino-Glycine; [(aminoiminomethyl)amino]-Acetate; [(aminoiminomethyl)amino]-Acetic acid; a-Guanidinoacetate; a-Guanidinoacetic acid; b-Guanidinoacetate; b-Guanidinoacetic acid; alpha-Guanidinoacetate; alpha-Guanidinoacetic acid; beta-Guanidinoacetate; beta-Guanidinoacetic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ022472	4-Vinylphenol; O-?-D-Allopyranoside 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022473	4-Vinylphenol; O-?-D-Glucopyranoside 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022474	Aspinolide B; 5-Ketone 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022475	Colletodiol; 11-Ketone 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022476	Colletodiol; 9,10-Dihydro, 11,12-diketone 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022477	Gonioheptolide A 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022478	Phenylacetic acid; ?-L-Rhamnopyranosyl ester 	C14H18O6	282.110338	NA	MeJP	NA	NA
+MJ022479	Eprobemide 	C14H19ClN2O2	282.113505	NA	MeJP	NA	NA
+C15084	2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile	C20H14N2	282.1157	NA	KEGG	NA	NA
+MJ022480	2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-(2-Methylpropanoyl) 	C13H18N2O5	282.121571	NA	MeJP	NA	NA
+MJ022481	Antibiotic DC 8118A; 8'-Ketone 	C13H18N2O5	282.121571	NA	MeJP	NA	NA
+MJ022482	Citreoazopyrone 	C13H18N2O5	282.121571	NA	MeJP	NA	NA
+PJ000164	TY 	C13H18N2O5	282.1216	NA	PeJP	NA	NA
+MJ022483	1,12-Diisothiocyanato-1,11-dodecadiene, 1,2-Dihydro 	C14H22N2S2	282.12244	NA	MeJP	NA	NA
+FL1CQUNM0001	Ohobanin	C18H18O3	282.12559	128502-81-8	knapsack	NA	NA
+MJ022484	1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol; Ketone 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022485	10,11-Dihydro-2,8-dihydroxy-1,7-dimethyl-6-vinyldibenz[b,f]oxepin 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022486	2,3'-Dihydroxy-4,4'-di-2-propenyldiphenyl ether 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022487	2,3-Dihydro-3-hydroxymethyl-2-(4-hydroxyphenyl)-5-(1-propenyl)benzofuran 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022488	2-(4-Hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022489	3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 1-(3-Methylbutanoyl) 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022490	4,4'-Dihydroxy-7,7'-epoxylignan, 8,8'-Didehydro 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022491	9,10-Dihydro-2,7-dihydroxy-1,8-dimethyl-4-phenanthrenecarboxaldehyde; 2-Me ether 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022492	Gibberellin B; 9,11-Didehydro 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022493	Isomagnolol; 2''',3'''-Dihydro, 1'''-oxo 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022494	Obovatol 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022495	Ohobanin 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022496	Olmecol 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022497	Randainal; 9-Alcohol 	C18H18O3	282.125594	NA	MeJP	NA	NA
+MJ022498	Xochitlodione 	C18H18O3	282.125594	NA	MeJP	NA	NA
+C10878	Randainol	C18H18O3	282.1256	NA	KEGG	NA	NA
+MJ022499	2-[(Aminoiminomethyl)amino]-6,7-dihydro-N-(1-methylethyl)thiazolo[5,4-c]pyridine-5(4H)-carboxamide 	C11H18N6OS	282.126279	NA	MeJP	NA	NA
+MJ022500	1,3-Butadiene-1,1,4,4-tetracarboxylic acid; Tetrakis(methylamide) 	C12H18N4O4	282.132805	NA	MeJP	NA	NA
+MJ022501	Adecypenol; 4'?,5'-Dihydro 	C12H18N4O4	282.132805	NA	MeJP	NA	NA
+MJ022502	Adecypenol; 4'?,5'-Dihydro 	C12H18N4O4	282.132805	NA	MeJP	NA	NA
+MJ022503	Dupracetam 	C12H18N4O4	282.132805	NA	MeJP	NA	NA
+MJ022504	Homocarnosine, N-Ac 	C12H18N4O4	282.132805	NA	MeJP	NA	NA
+MJ022505	N-Histidylvaline; L-L-form, N1-Formyl 	C12H18N4O4	282.132805	NA	MeJP	NA	NA
+C11486	NAC	C17H18N2O2	282.1368	NA	KEGG	NA	NA
+C15642	GSK 4716	C17H18N2O2	282.1368	NA	KEGG	NA	NA
+MJ022506	3-[2-(2-Benzoxazolyl)ethyl]-5-ethyl-6-methyl-2(1H)-pyridinone 	C17H18N2O2	282.136827	NA	MeJP	NA	NA
+MJ022507	4-Acetyl-5,6,7,8-tetrahydro-1-methyl-7-(4-pyridinyl)-3(2H)-isoquinolinone 	C17H18N2O2	282.136827	NA	MeJP	NA	NA
+MJ022508	Glycozolone A, 4'-Methoxy 	C17H18N2O2	282.136827	NA	MeJP	NA	NA
+MJ022509	2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 11-Ac 	C11H18N6O3	282.144038	NA	MeJP	NA	NA
+C09482	Hymenoxon	C15H22O5	282.1467	NA	KEGG	NA	NA
+C09538	Qing Hau Sau	C15H22O5	282.1467	NA	KEGG	NA	NA
+C15971	Dihydrophaseic acid	C15H22O5	282.1467	NA	KEGG	NA	NA
+C15972	Enzyme N6-(lipoyl)lysine	C8H14NOS2R	282.1467	NA	KEGG	NA	NA
+C15973	Enzyme N6-(dihydrolipoyl)lysine	C8H16NOS2R	282.1467	NA	KEGG	NA	NA
+MJ022510	1,10-Epoxy-8,9-dihydroxy-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022511	1,12-Dihydroxy-4,10(14)-cadinadien-15-oic acid; 1-Hydroperoxide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022512	1,2,11-Trihydroxy-4-eudesmen-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022513	1,2,4-Trihydroxy-11(13)-pseudoguaien-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022514	1,3,7,10-Tetrahydroxy-2(9)-illuden-8-one 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022515	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 1-hydroperoxide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022516	1,3-Dihydroxy-4,9-germacradien-12,6-olide, 9?,10?-Epoxide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022517	1,4,11-Trihydroxy-2-eudesmen-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022518	1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022519	1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022520	1,7-Dihydroxy-1,3,5-bisabolatrien-15-oic acid; 11-Hydroxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022521	1,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022522	1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022523	1-Hydroxy-5,6-seco-4(15),10(14)-germacradien-5,2-olid-6-oic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022524	10,12-Dihydroxy-1,4-cadinadien-15-oic acid; 10-Hydroperoxide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022525	2,4,10-Trihydroxy-1(5)-guaien-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022526	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022527	2,5,8,11,14-Pentadecanepentone 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022528	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 4?,15-Dihydro 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022529	3,4,10-Trihydroxy-1-guaien-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022530	3,4,10-Trihydroxy-11(13)-guaien-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022531	3,4,15-Scirpenetriol 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022532	3,4,9-Trihydroxy-1(10)-guaien-12,8-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022533	3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-Tigloyl 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022534	3,6,12,13-Tetrahydroxy-7(11),9-eremophiladien-8-one 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022535	3,7-Dihydroxy-4-eudesmen-12,6-olide, 4?,5?-Epoxide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022536	3,8,14-Trihydroxy-6-lactaren-5,14-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022537	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 4'-O-(2-methylbutanoyl) 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022538	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 5'-O-(2-methylbutanoyl) 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022539	4,5-Dihydroxy-15-oxo-11(13)-eudesmen-12-oic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022540	4,8,10-Trihydroxy-11(13)-guaien-12,6-olide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022541	4-Oxo-3,4-secoambrosan-12,6-olid-3-oic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022542	5,12,14-Trihydroxy-3-cedren-15-oic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022543	5,9-Epoxy-6,9-dihydroxy-7-daucen-14-oic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022544	6,7-Epoxy-3,11,12-trihydroxy-9-eremophilen-8-one 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022545	7,8,12-Trihydroxy-5,14-marasmanolide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022546	Abscisic acid, 13-Hydroxy, 3-alcohol 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022547	Alliacolide; 11?-Hydroxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022548	Alliacolide; 12-Hydroxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022549	Alliacolide; 1?-Hydroxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022550	Antibiotic WAP 4068A; Antibiotic WAP 4068A5 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022551	Artemisinin G 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022552	Artemisinin 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022553	Biennin A 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022554	Bisbynin 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022555	Debenzoyltashironin 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022556	Deoxyartemisinin; 3?-Hydroxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022557	Dihydrophaseic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022558	Hymenoxon 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022559	Illicinone E; 2?,3-Dihydro 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022560	Illicinone E; 2?,3-Dihydro 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022561	Merrillianone 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022562	Ovalicin; O-De-Me 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022563	Oxyhumulinic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022564	Papyracone B; 6-Me ether 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022565	Porellapinguisanolide 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022566	Pseudoanisatin; 13-Hydroxy, 4,7-dideoxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022567	Pseudoanisatin; 7-Deoxy 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022568	Pseudomajucin 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022569	Psilostachyin; 11?,13-Dihydro 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022570	Rugosal A; 14-Carboxylic acid 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022571	Rugosic acid D 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022572	Spiropinguisanin 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022573	Wasabidienone B1 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022574	Wasabienone B0 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MJ022575	Wenjine 	C15H22O5	282.146723	NA	MeJP	NA	NA
+MetaCyc02510	artemisinin [(+)-Arteannuin;]	C15H22O5	282.146724	NA	metacyc	NA	NA
+MetaCyc02511	artemisinin [qinghaosu;]	C15H22O5	282.146724	NA	metacyc	NA	NA
+MJ022576	5-Butyl-7-(3-pyridinylmethoxy)pyrazolo[1,5-a]pyrimidine 	C16H18N4O	282.148061	NA	MeJP	NA	NA
+MJ022577	1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol, Ac 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022578	1,7-Diphenyl-3,5-heptanediol, 1,2-Didehydro (E-) 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022579	1,7-Diphenyl-3,5-heptanediol, 3-Ketone 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022580	1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022581	2,8,10,16-Heptadecatetraene-4,6-diyn-1-ol, Ac 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022582	2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022583	3,9,11,17-Octatetraene-5,7-diynoic acid, Me ester 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022584	3-Hydroxyestra-1,3,5(10),9(11)-tetraen-17-one; Me ether 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022585	4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022586	4-Hydroxymethylathrixianone; 19-Aldehyde 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022587	Cannabivarin 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022588	Miltirone 	C19H22O2	282.161979	NA	MeJP	NA	NA
+MJ022589	Vedaprofen 	C19H22O2	282.161979	NA	MeJP	NA	NA
+C10281	4-Prenyldihydropinosylvin	C19H22O2	282.162	NA	KEGG	NA	NA
+C13715	Miltirone	C19H22O2	282.162	NA	KEGG	NA	NA
+C14551	Diethylstilbestrol monomethyl ether	C19H22O2	282.162	NA	KEGG	NA	NA
+C15308	3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one	C19H22O2	282.162	NA	KEGG	NA	NA
+MJ022590	1,2,3,6-Tetrahydro-5-[3-(4-methylphenyl)-5-isoxazolyl]-1-propylpyridine 	C18H22N2O	282.173213	NA	MeJP	NA	NA
+MJ022591	16-Hydroxy-16,22-dihydroapparicine 	C18H22N2O	282.173213	NA	MeJP	NA	NA
+MJ022592	Deplancheine, 10-Methoxy 	C18H22N2O	282.173213	NA	MeJP	NA	NA
+MJ022593	Gilbertine 	C18H22N2O	282.173213	NA	MeJP	NA	NA
+MJ022594	Paspaclavine 	C18H22N2O	282.173213	NA	MeJP	NA	NA
+C16508	12-trans-Hydroxy juvenile hormone III	C16H26O4	282.1831	NA	KEGG	NA	NA
+MJ022595	11-Hydroxy-2,4,10-trimethyl-5-oxo-6,8-tridecadienoic acid 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022596	11-Hydroxy-9-oxo-2-bisabolen-15-oic acid, Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022597	2,3,4,6,7,8-Hexahydro-4,8-dihydroxy-2-(1-hydroxyheptyl)-5H-1-benzopyran-5-one; 4-Deoxy 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022598	2,3,4,6,7,8-Hexahydro-4,8-dihydroxy-2-(1-hydroxyheptyl)-5H-1-benzopyran-5-one; 8-Epimer, 4-deoxy 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022599	2,6,10-Farnesatrien-1-oic acid; 6S,7S:10R,11-Diepoxide, Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022600	2-Hydroxy-6-oxo-11-pinguisanoic acid; 2?-form, Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022601	3,4-Dihydroxy-2-(4-hydroxy-2-decenyl)-2-cyclohexen-1-one 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022602	3-Hydroxy-9-oxo-1-bisabolen-15-oic acid; Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022603	4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me, O1-(1-methylpentyl) 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022604	4,5-Dioxo-2-hexadecenoic acid 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022605	4,6-Dihydroxy-11(13)-eudesmen-12-oic acid, Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022606	5,14-Epoxy-5,7,8-marasmanetriol, 5-Me ether 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022607	6,7-Dihydroxy-13,14,15,16-tetranor-3-cleroden-12-oic acid 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022608	7,10-Dihydroxy-2,11-bisaboladien-15-oic acid; Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022609	7,10-Epoxy-11-hydroxy-2-bisabolen-15-oic acid; 10-Epimer, Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022610	7,10-Epoxy-11-hydroxy-2-bisabolen-15-oic acid; Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022611	7,11-Dihydroxy-2,9-bisaboladien-15-oic acid; Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022612	8-Hydroxy-9-oxo-2-bisabolen-15-oic acid; Me ester 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022613	Fumagillin; Deacyl 	C16H26O4	282.183109	NA	MeJP	NA	NA
+MJ022614	Neovasifuranone A 	C16H26O4	282.183109	NA	MeJP	NA	NA
+C10756	Cadiamine	C15H26N2O3	282.1943	NA	KEGG	NA	NA
+MJ022615	Cadiamine 	C15H26N2O3	282.194342	NA	MeJP	NA	NA
+MJ022616	19-Norpregna-1,3,5(10),20-tetraen-3-ol 	C20H26O	282.198365	NA	MeJP	NA	NA
+MJ022617	Juvocimene 1 	C20H26O	282.198365	NA	MeJP	NA	NA
+MJ022618	Retinal, 3,4-Didehydro 	C20H26O	282.198365	NA	MeJP	NA	NA
+MJ022619	11-cis-Dehydroretinal 	C20H26O	282.198365	NA	MeJP	NA	NA
+MJ022620	all-trans-Dehydroretinal 	C20H26O	282.198365	NA	MeJP	NA	NA
+C05918	all-trans-Dehydroretinal	C20H26O	282.1984	NA	KEGG	NA	NA
+C05919	11-cis-Dehydroretinal	C20H26O	282.1984	NA	KEGG	NA	NA
+C05920	Porphyropsin	C20H26R	282.1984	NA	KEGG	NA	NA
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR404	Acide retinoique F2	NA	282.198475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR404	Acide retinoique F2	NA	282.198475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR404	Acide retinoique F2	NA	282.198475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR404	Acide retinoique F2	NA	282.198475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR404	Retinoic acid F2	F2	282.198475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ022621	Aspidospermidine 	C19H26N2	282.209598	NA	MeJP	NA	NA
+MJ022622	Cleavamine, 15,20-Dihydro 	C19H26N2	282.209598	NA	MeJP	NA	NA
+MJ022623	Melonine 	C19H26N2	282.209598	NA	MeJP	NA	NA
+MJ022624	Quebrachamine 	C19H26N2	282.209598	NA	MeJP	NA	NA
+C09235	(-)-Quebrachamine	C19H26N2	282.2096	NA	KEGG	NA	NA
+MJ022625	3-(11-Dodecenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C17H30O3	282.219494	NA	MeJP	NA	NA
+MJ022626	3-(7-Dodecenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C17H30O3	282.219494	NA	MeJP	NA	NA
+MJ022627	4,11-Eudesmanediol; 4?-form, 11-Ac 	C17H30O3	282.219494	NA	MeJP	NA	NA
+MJ022628	5-Hydroxy-4,6,8-trimethyl-6-undecen-3-one, Propanoyl 	C17H30O3	282.219494	NA	MeJP	NA	NA
+MJ022629	6-(1,3-Dimethyl-1-hexenyl)-2-ethyltetrahydro-2-hydroxy-3,5-dimethyl-4H-pyran-4-one 	C17H30O3	282.219494	NA	MeJP	NA	NA
+MJ022630	Litsenolide D1 	C17H30O3	282.219494	NA	MeJP	NA	NA
+C15465	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester	C17H30O3	282.2195	NA	KEGG	NA	NA
+MJ022631	3-Heneicosene-1,8,20-triyne 	C21H30	282.23475	NA	MeJP	NA	NA
+MJ022632	Rhodopsin 	C21H30	282.234751	NA	MeJP	NA	NA
+MJ022633	10-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022634	11-Cycloheptylundecanoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022635	11-Hexadecen-1-ol, Ac 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022636	11-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022637	12-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022638	13-(2-Cyclopentenyl)tridecanoic acid, 2',3'-Dihydro 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022639	13-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022640	14-Hydroxy-2,6,10-trimethyl-10-pentadecen-4-one 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022641	15-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022642	16-Methyl-6-heptadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022643	16-Methyl-8-heptadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022644	16-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022645	18-Hydroxyoctadecanoic acid; Lactone 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022646	3-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022647	4-Hydroxyoctadecanoic acid, Lactone 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022648	5-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022649	5-Tetradecen-1-ol, Butanoyl 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022650	6-Methyl-9-heptadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022651	6-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022652	7,8-Dimethyl-7-hexadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022653	7,9-Dimethyl-6-hexadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022654	7-Hexadecen-1-ol, Ac 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022655	7-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022656	8-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022657	9-Hexadecen-1-ol, Ac 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MJ022658	9-Octadecenoic acid 	C18H34O2	282.25588	NA	MeJP	NA	NA
+MetaCyc02512	oleate [octadecenoate (n-C18:1);oleic acid;9-octadecenoic acid;]	C18H34O2	282.25588	112-80-1	metacyc	NA	NA
+HMDB00207	Oleic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB00207	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00573	Elaidic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB00573	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00207	Oleic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB00207	HMDB	NA	NA
+HMDB00573	Elaidic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB00573	HMDB	NA	NA
+HMDB03231	Vaccenic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB03231	HMDB	NA	NA
+HMDB00207	Oleic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB00207	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00573	Elaidic acid	C18H34O2	282.25589	http://www.hmdb.ca/metabolites/HMDB00573	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00207	Oleic acid	C18H34O2	282.25589	HMDB00207	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00573	Elaidic acid	C18H34O2	282.25589	HMDB00573	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03231	Vaccenic acid	C18H34O2	282.25589	HMDB03231	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00207	Oleic acid	C18H34O2	282.25589	NA	HMDB2010	NA	NA
+HMDB00573	Elaidic acid	C18H34O2	282.25589	NA	HMDB2010	NA	NA
+HMDB03231	Vaccenic acid	C18H34O2	282.25589	NA	HMDB2010	NA	NA
+C00712	(9Z)-Octadecenoic acid	C18H34O2	282.2559	NA	KEGG	NA	NA
+C01712	(9E)-Octadecenoic acid	C18H34O2	282.2559	NA	KEGG	NA	NA
+C08363	(6Z)-Octadecenoic acid	C18H34O2	282.2559	NA	KEGG	NA	NA
+C08367	(11E)-Octadecenoic acid	C18H34O2	282.2559	NA	KEGG	NA	NA
+C12103	omega-Cycloheptylundecanoic acid	C18H34O2	282.2559	NA	KEGG	NA	NA
+MJ022659	5-(10-Aminoundecyl)hexahydropyrrolo[2,1-b]oxazole 	C17H34N2O	282.267113	NA	MeJP	NA	NA
+MJ022660	Disparlure 	C19H38O	282.292265	NA	MeJP	NA	NA
+HMDB01958	Pristanal	C19H38O	282.292267	NA	HMDB2010	NA	NA
+HMDB01958	Pristanal	C19H38O	282.29227	http://www.hmdb.ca/metabolites/HMDB01958	HMDB	NA	NA
+HMDB01958	Pristanal	C19H38O	282.29227	HMDB01958	PFEM_hmdb_metabocards_official	NA	NA
+MJ022661	9-Octadecene-1,17-diamine 	C18H38N2	282.303499	NA	MeJP	NA	NA
+MJ022662	Eicosane 	C20H42	282.328651	NA	MeJP	NA	NA
+MJ022663	2,6,10,14-Tetramethylhexadecane 	C20H42	282.328651	NA	MeJP	NA	NA
+MJ022664	5,9-Dimethyloctadecane 	C20H42	282.328651	NA	MeJP	NA	NA
+MJ022665	7,11-Dimethyloctadecane 	C20H42	282.328651	NA	MeJP	NA	NA
+3082	hemorphin-4	YPWT	282.6205	MH2+	Inhouse_peptide	NA	peptide
+2714	erythromycin inhibitor	MSMVV	282.6244	MH2+	Inhouse_peptide	NA	peptide
+C11065	Nitrofen	C12H7Cl2NO3	282.9803	NA	KEGG	NA	NA
+MJ022666	Risedronic acid 	C7H11NO7P2	283.001074	NA	MeJP	NA	NA
+MetaCyc02513	risedronate [(1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid;Risedronic acid;]	C7H11N1O7P2	283.001075	NA	metacyc	NA	NA
+C08233	Risedronic acid	C7H11NO7P2	283.0011	NA	KEGG	NA	NA
+C10986	Procymidone	C13H11Cl2NO2	283.0167	NA	KEGG	NA	NA
+MJ022667	Beciparcil 	C12H13NO3S2	283.033684	NA	MeJP	NA	NA
+HMDB06787	Phosphatidyl-N-methylethanolamine	C8H14NO8P	283.04568	http://www.hmdb.ca/metabolites/HMDB06787	HMDB	NA	NA
+HMDB06787	Phosphatidyl-N-methylethanolamine	C8H14NO8P	283.04568	HMDB06787	PFEM_hmdb_metabocards_official	NA	NA
+C12987	N2-Acetyl-L-aminoadipyl-delta-phosphate	C8H14NO8P	283.0457	NA	KEGG	NA	NA
+MetaCyc02514	N2acetyl-&alpha;-aminoadipyl-&delta;-phosphate []	C8H14N1O8P1	283.045703	NA	metacyc	NA	NA
+MJ022668	N-Acetylcysteine, S-2-Hydroxybenzoyl ester 	C12H13NO5S	283.051443	NA	MeJP	NA	NA
+MJ022669	Tazeprofen 	C16H13NO2S	283.066699	NA	MeJP	NA	NA
+MJ022670	Glutamic acid, N-(3,4-Dihydroxybenzoyl) 	C12H13NO7	283.069201	NA	MeJP	NA	NA
+MJ022671	2'-Deoxythioguanosine 	C10H13N5O3S	283.073909	NA	MeJP	NA	NA
+MJ022672	Ascididemin 	C18H9N3O	283.074561	NA	MeJP	NA	NA
+C08475	Cucumopine	C11H13N3O6	283.0804	NA	KEGG	NA	NA
+MJ022673	Cucumopine 	C11H13N3O6	283.080435	NA	MeJP	NA	NA
+MJ022674	1-Methoxy-2,3-methylenedioxyacridone; N-Me 	C16H13NO4	283.084457	NA	MeJP	NA	NA
+MJ022675	4-Methylbenzo[g]quinoline-5,10-dione; 6,7-Dimethoxy 	C16H13NO4	283.084457	NA	MeJP	NA	NA
+MJ022676	Avenanthramide D 	C16H13NO4	283.084457	NA	MeJP	NA	NA
+MJ022677	Marcanine A; 3-Methoxy, N-Me 	C16H13NO4	283.084457	NA	MeJP	NA	NA
+MJ022678	Papaveroline 	C16H13NO4	283.084457	NA	MeJP	NA	NA
+MJ022679	2-Amino-6-(1,2,3,4-tetrahydroxybutyl)-4(1H)-pteridinone 	C10H13N5O5	283.091668	NA	MeJP	NA	NA
+MJ022680	4'-Azidothymidine 	C10H13N5O5	283.091668	NA	MeJP	NA	NA
+MJ022681	Guanosine 	C10H13N5O5	283.091668	NA	MeJP	NA	NA
+MJ022682	Isoguanosine 	C10H13N5O5	283.091668	NA	MeJP	NA	NA
+MJ022683	Guanosine 	C10H13N5O5	283.091668	NA	MeJP	NA	NA
+MetaCyc02515	guanosine [nucleoside Q;]	C10H13N5O5	283.091669	118-00-3	metacyc	NA	NA
+HMDB00133	Guanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB00133	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB03333	PFEM_hmdb_metabocards_urine	NA	urine
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00133	Guanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB00133	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB03333	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00133	Guanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB00133	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB03333	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00133	Guanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB00133	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB03333	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00133	Guanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB00133	HMDB	NA	NA
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB03333	HMDB	NA	NA
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	HMDB	NA	NA
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	Inhouse_PFEM	NA	NA
+HMDB00133	Guanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB00133	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	http://www.hmdb.ca/metabolites/HMDB03333	PFEM_hmdb_metabocards_blood	NA	blood
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR052	8(OH)-DG	C10H13N5O5	283.09167	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00133	Guanosine	C10H13N5O5	283.09167	HMDB00133	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.09167	HMDB03333	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00133	Guanosine	C10H13N5O5	283.091675	NA	HMDB2010	NA	NA
+HMDB03333	8-Hydroxy-deoxyguanosine	C10H13N5O5	283.091675	NA	HMDB2010	NA	NA
+EUR052	8(OH)-DG	C10H13N5O5	283.0917	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR052	8(OH)-DG	C10H13N5O5	283.0917	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR052	8(OH)-DG	C10H13N5O5	283.0917	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR052	8(OH)-DG	C10H13N5O5	283.0917	Wishlist	Inhousejuil11	NA	NA
+C00387	Guanosine	C10H13N5O5	283.0917	NA	KEGG	NA	NA
+C08432	Crotonoside	C10H13N5O5	283.0917	NA	KEGG	NA	NA
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR332	8-hydroxydeoxyguanosine F1	NA	283.093975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ022684	Cariporide 	C12H17N3O3S	283.099062	NA	MeJP	NA	NA
+CJpos0680	Methylinosine [(M+H)]+ (13C)	C1013CH15N4O5	283.099275	C18rt(min)=4.45 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0680	Methylinosine [(M+H)]+ (13C)	C1013CH15N4O5	283.099275	C18rt(min)=4.45 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03950	7-Methylinosine	C11H15N4O5	283.104248	NA	HMDB2010	NA	NA
+HMDB03950	7-Methylinosine	C11H15N4O5	283.10425	http://www.hmdb.ca/metabolites/HMDB03950	HMDB	NA	NA
+HMDB03950	7-Methylinosine	C11H15N4O5	283.10425	HMDB03950	PFEM_hmdb_metabocards_official	NA	NA
+MJ022685	2-Amino-9-[2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,9-dihydro-6H-purin-6-one 	C11H14FN5O3	283.108067	NA	MeJP	NA	NA
+MJ022686	1-(3-Indolyl)-?-carboline 	C19H13N3	283.110947	NA	MeJP	NA	NA
+MJ022687	Afloqualone 	C16H14FN3O	283.11209	NA	MeJP	NA	NA
+MJ022688	Methylene blue 	C16H18N3S(+)	283.114318	NA	MeJP	NA	NA
+8115	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GAH	283.116	anticancer	Inhouse_peptide	NA	peptide
+MJ022689	Vedaclidine 	C13H21N3S2	283.117689	NA	MeJP	NA	NA
+C01735	Morphinone	C17H17NO3	283.1208	NA	KEGG	NA	NA
+C10634	Acrophylline	C17H17NO3	283.1208	NA	KEGG	NA	NA
+MJ022690	Morphinone 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022691	1,2,10-Trimethoxyaporphine, O1,O10,N-Tri-de-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022692	2-(Methylamino)benzoic acid; N-(3-Phenylpropanoyl) 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022693	2-Amino-1-phenylethanol, N-Benzoyl, O-Ac 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022694	4-(2-Aminoethyl)phenol; N-(4-Hydroxy-E-cinnamoyl) 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022695	4-(2-Aminoethyl)phenol; N-(4-Hydroxy-Z-cinnamoyl) 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022696	7-Hydroxy-4-methoxy-8-prenylfuro[2,3-b]quinoline 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022697	8-(1,1-Dimethyl-2-propenyl)-4-methoxyfuro[2,3-b]quinolin-7-ol 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022698	Cinnamolaurine, N-De-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022699	Coccuvine; Natural-form, 8-Oxo 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022700	Crotonosine 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022701	Crotsparine 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022702	Erythrocarine 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022703	Foliminine 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022704	Furo[2,3-b]quinoline-4,7-diol; NH-form, 7-Me ether, N-(3-methyl-2-butenyl) 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022705	Furo[2,3-b]quinoline-4,7-diol; OH-form, 7-O-(3-Methyl-2-butenyl), O4-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022706	Furo[2,3-b]quinoline-4,8-diol; OH-form, 8-O-(3-Methyl-2-butenyl), O4-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022707	Graciline 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022708	N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022709	Oripavine; N-De-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022710	Pachyconfine; 6-Epimer, N-de-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MJ022711	Pachyconfine; N-De-Me 	C17H17NO3	283.120843	NA	MeJP	NA	NA
+MetaCyc02516	morphinone []	C17H17N1O3	283.120843	NA	metacyc	NA	NA
+HMDB02372	N-Phenylacetylphenylalanine	C17H17NO3	283.12085	http://www.hmdb.ca/metabolites/HMDB02372	HMDB	NA	NA
+HMDB03563	Morphinone	C17H17NO3	283.12085	http://www.hmdb.ca/metabolites/HMDB03563	HMDB	NA	NA
+HMDB02372	N-Phenylacetylphenylalanine	C17H17NO3	283.12085	HMDB02372	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03563	Morphinone	C17H17NO3	283.12085	HMDB03563	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02372	N-Phenylacetylphenylalanine	C17H17NO3	283.12085	NA	HMDB2010	NA	NA
+HMDB03563	Morphinone	C17H17NO3	283.12085	NA	HMDB2010	NA	NA
+PJ000165	QH 	C11H17N5O4	283.1281	NA	PeJP	NA	NA
+MJ022712	3-Ethylidene-6-(1H-indol-3-ylmethyl)-4-methyl-2,5-piperazinedione 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022713	Amonafide 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022714	Cyclo(tryptophanylprolyl); L-L-form 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022715	Dazmegrel 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022716	Lysergic acid, Amide, 8-hydroxy 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022717	Lysergic acid, C8-Epimer, amide, 8-hydroxy 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022718	Paspalic acid; 10-Hydroxy, 10-epimer, amide 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+MJ022719	Paspalic acid; 10-Hydroxy, amide 	C16H17N3O2	283.132076	NA	MeJP	NA	NA
+C10953	Metolachlor	C15H22ClNO2	283.1339	NA	KEGG	NA	NA
+7633	ACE inhibitor from k-CN (fr, 120-122)	PAP	283.141	antioxidative	Inhouse_peptide	NA	peptide
+MJ022720	2-Amino-4-(3,4,5-trihydroxyphenyl)butanoic acid; 3',5'-Di-Me ether, N,N-di-Me 	C14H21NO5	283.141972	NA	MeJP	NA	NA
+MJ022721	Mescaloruvic acid 	C14H21NO5	283.141972	NA	MeJP	NA	NA
+MJ022722	Bemitradine 	C15H17N5O	283.14331	NA	MeJP	NA	NA
+7844	ACE inhibitor	HK	283.152	immunomodulating	Inhouse_peptide	NA	peptide
+PJ000166	APP 	C13H21N3O4	283.1532	NA	PeJP	NA	NA
+MJ022723	1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-phenylisoquinoline 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022724	3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, 2'R,3'-epoxide 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022725	3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, ?3'-isomer, 2'-hydroxy 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022726	Apogalanthamine; Di-Me ether 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022727	Asteranthine; 2', 3'-Didehydro, 2',3'-epoxide 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022728	Coccuvine; Natural-form, Me ether 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022729	Methyldesorphine 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022730	N-(Benzyloxy)-N-(3-phenylpropyl)acetamide 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022731	Naranol 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022732	?,?-Dimethyl-5-(3-methyl-1-oxo-2-butenyl)-1H-indole-3-propanal 	C18H21NO2	283.157228	NA	MeJP	NA	NA
+MJ022733	6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium 	C18H22NO2(+)	283.157228	NA	MeJP	NA	NA
+MJ022734	Cadralazine 	C12H21N5O3	283.164439	NA	MeJP	NA	NA
+PJ000167	KH 	C12H21N5O3	283.1645	NA	PeJP	NA	NA
+MJ022735	Amabiline 	C15H25NO4	283.178358	NA	MeJP	NA	NA
+C10263	Amabiline	C15H25NO4	283.1784	NA	KEGG	NA	NA
+C10403	Supinine	C15H25NO4	283.1784	NA	KEGG	NA	NA
+C07069	Levallorphan	C19H25NO	283.1936	NA	KEGG	NA	NA
+C13683	Histrionicotoxin	C19H25NO	283.1936	NA	KEGG	NA	NA
+MJ022736	2,4,12-Tetradecatriene-8,10-diynoic acid, 3-Methylbutylamide 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022737	2,4-Tetradecadiene-8,10-diynoic acid, Piperidide 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022738	2-(Diphenylmethoxy)-N,N-diethylethanamine 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022739	3-Methyl-2-(2-nonenyl)-4(1H)-quinolinone 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022740	Alentemol 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022741	Drobuline 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022742	Etoloxamine 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022743	Hexapradol 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022744	Histrionicotoxins; Histrionicotoxin 283A 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022745	Levallorphan 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022746	Tesmilifene 	C19H25NO	283.193614	NA	MeJP	NA	NA
+MJ022747	Bibenzonium(1+) 	C19H26NO(+)	283.193614	NA	MeJP	NA	NA
+MJ022748	16-Hydroxy-4-hexadecenoic acid; Methylamide 	C17H33NO2	283.251129	NA	MeJP	NA	NA
+C13846	Octadecanamide	C18H37NO	283.2875	NA	KEGG	NA	NA
+MJ022749	Octadecanoic acid; Amide 	C18H37NO	283.287514	NA	MeJP	NA	NA
+MJ022750	Hexadecyltrimethylammonium(1+) 	C19H42N(+)	283.3239	NA	MeJP	NA	NA
+7901	peptide from bovine b-lactoglobulin	WYSL	283.629	MH2+	Inhouse_peptide	NA	peptide
+7489	b-lactokinin (fr, of b-lactoglobulin: 142-146)	ALPMH	283.6357	MH2+	Inhouse_peptide	NA	peptide
+MJ022751	2,6-Dibromo-4-chlorophenol 	C6H3Br2ClO	283.823917	NA	MeJP	NA	NA
+MJ022752	2-(Dibromomethylene)hexanoic acid 	C7H10Br2O2	283.904754	NA	MeJP	NA	NA
+C14445	Tris(2-chloroethyl)phosphate	C6H12Cl3O4P	283.9539	NA	KEGG	NA	NA
+MJ022753	1,2,3-Propanetriphosphonic acid 	C3H11O9P3	283.961591	NA	MeJP	NA	NA
+MJ022754	Bromebric acid 	C11H9BrO4	283.968421	NA	MeJP	NA	NA
+MJ022755	Disulfamide 	C7H9ClN2O4S2	283.969225	NA	MeJP	NA	NA
+MJ022756	3-(Bromomethyl)-2,3-dichloro-7-methyl-1,6-octadiene 	C10H15BrCl2	283.973418	NA	MeJP	NA	NA
+MJ022757	3-Bromo-8-chloro-6-chloromethyl-2-methyl-1,6-octadiene 	C10H15BrCl2	283.973418	NA	MeJP	NA	NA
+MJ022758	8-Bromo-3,7-dichloro-2,6-dimethyl-1,5-octadiene 	C10H15BrCl2	283.973418	NA	MeJP	NA	NA
+C06638	1-Chloro-2,2-bis(4'-chlorophenyl)ethane	C14H11Cl3	283.9926	NA	KEGG	NA	NA
+C15392	1-Chloro-4-(2,2-dichloro-1-phenylethyl)benzene	C14H11Cl3	283.9926	NA	KEGG	NA	NA
+MJ022759	1-Chloro-2,2-bis(4'-chlorophenyl)ethane 	C14H11Cl3	283.992633	NA	MeJP	NA	NA
+MJ022760	2,3',4,5',6-Pentahydroxydiphenyl ether; Monochloro 	C12H9ClO6	284.008765	NA	MeJP	NA	NA
+C11122	DTP	C12H10Cl2N2O2	284.0119	NA	KEGG	NA	NA
+MJ022761	Sulfachlorpyridazine 	C10H9ClN4O2S	284.013473	NA	MeJP	NA	NA
+MJ022762	Sulfaclozine 	C10H9ClN4O2S	284.013473	NA	MeJP	NA	NA
+FLIE1LNS0001	Repensol3,7,9-Trihydroxycoumestan;7,10,12-Trihydroxycoumestan	C15H8O6	284.03208	33280-69-2	knapsack	NA	NA
+FLIE2ANS0001	Lucernol;2,3,9-Trihydroxycoumestan	C15H8O6	284.03208	15402-22-9	knapsack	NA	NA
+FLIEAANS0001	Aureol;1,3,9-Trihydroxycoumestan	C15H8O6	284.03208	88478-03-9	knapsack	NA	NA
+FLIG1LNS0001	Lupinalbin A	C15H8O6	284.03208	98094-87-2	knapsack	NA	NA
+FLNARNNS0002	7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin	C15H8O6	284.03208	87865-19-8	knapsack	NA	NA
+MJ022763	1,3,5-Trihydroxyanthraquinone-2-carboxaldehyde 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022764	1,3,8-Trihydroxyanthraquinone-2-carboxaldehyde 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022765	1,3,9-Trihydroxycoumestan 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022766	1,3-Dihydroxyanthraquinone-2-carboxylic acid 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022767	1,4-Dihydroxyanthraquinone-2-carboxylic acid 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022768	2,3,9-Trihydroxycoumestan 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022769	3,4,5-Trihydroxyanthraquinone-2-carboxaldehyde 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022770	3,4,9-Trihydroxycoumestan 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022771	3,7,9-Trihydroxycoumestan 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022772	3-(Hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione; 9-Hydroxy 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022773	4,5,7-Trihydroxyanthraquinone-2-carboxaldehyde 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022774	4,5-Dihydroxyanthraquinone-2-carboxylic acid 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022775	5,9,10-Trihydroxy-2H-pyrano[2,3,4-kl]xanthen-2-one 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022776	Ayamenin B; 7-Hydroxy 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022777	Lupinalbin A 	C15H8O6	284.032087	NA	MeJP	NA	NA
+MJ022778	Riccionidin A 	C15H9O6(+)	284.032088	NA	MeJP	NA	NA
+C10401	Rhein	C15H8O6	284.0321	NA	KEGG	NA	NA
+MJ022779	Sulfaethidole 	C10H12N4O2S2	284.040167	NA	MeJP	NA	NA
+MJ022780	Cinnabarine; 1''-Aldehyde 	C14H8N2O5	284.043321	NA	MeJP	NA	NA
+MJ022781	Cinnabarine; 1'-Aldehyde, 1''-carboxylic acid 	C14H8N2O5	284.043321	NA	MeJP	NA	NA
+MJ022782	Tiopinac 	C16H12O3S	284.050714	NA	MeJP	NA	NA
+MJ022783	6-Thioinosine 	C10H12N4O4S	284.057925	NA	MeJP	NA	NA
+MJ022784	Tris(2-nitroxyethyl)amine 	C6H12N4O9	284.060428	NA	MeJP	NA	NA
+MJ022785	Taurolidine 	C7H16N4O4S2	284.061296	NA	MeJP	NA	NA
+MJ022786	1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-(5-Methylhexanoyl) 	C12H16N2O2S2	284.065319	NA	MeJP	NA	NA
+MJ022787	1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-Heptanoyl 	C12H16N2O2S2	284.065319	NA	MeJP	NA	NA
+JH193	Biochanin A [M+H]+	C16H12O5	284.0679	21.2	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH193	Biochanin A [M+H]+	C16H12O5	284.0679	21.2	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH193	Biochanin A [M+H]+	C16H12O5	284.0679	21.2	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH193	Biochanin A [M+H]+	C16H12O5	284.0679	21.2	Inhousejuil11	NA	NA
+JH194	Glycitein [M+H]+	C16H12O5	284.06794	16.16	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH194	Glycitein [M+H]+	C16H12O5	284.06794	16.16	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH194	Glycitein [M+H]+	C16H12O5	284.06794	16.16	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH194	Glycitein [M+H]+	C16H12O5	284.06794	16.16	Inhousejuil11	NA	NA
+FL3F1CNS0002	Geraldone	C16H12O5	284.06847	21583-32-4	knapsack	NA	NA
+FL3F1CNS0006	Farnisin;3',7-Dihydroxy-4'-methoxyflavone;7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O5	284.06847	54867-60-6	knapsack	NA	NA
+FL3FA8NS0002	Echioidinin	C16H12O5	284.06847	4308-56-9	knapsack	NA	NA
+FL3FA8NS0004	7,2'-Dihydroxy-5-methoxyflavone;7-Hydroxy-2-(2-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C16H12O5	284.06847	71592-45-5	knapsack	NA	NA
+FL3FAANM0001	6-Methylapigenin;5,7,4'-Trihydroxy-6-methylflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methyl-4H-1-benzopyran-4-one	C16H12O5	284.06847	5526-57-8	knapsack	NA	NA
+FL3FABNS0001	Acacetin	C16H12O5	284.06847	480-44-4	knapsack	NA	NA
+FL3FBANS0001	Thevetiaflavone	C16H12O5	284.06847	29376-68-9	knapsack	NA	NA
+FL3FCANS0001	Genkwanin	C16H12O5	284.06847	437-64-9	knapsack	NA	NA
+FL3FE9NS0002	Oroxylin A	C16H12O5	284.06847	480-11-5	knapsack	NA	NA
+FL3FE9NS0003	Negletein	C16H12O5	284.06847	29550-13-8	knapsack	NA	NA
+FL3FF9NS0002	Wogonin;5,7-Dihydroxy-8-methoxyflavone	C16H12O5	284.06847	632-85-9	knapsack	NA	NA
+FL3FF9NS0007	5,8-Dihydroxy-7-methoxyflavone	C16H12O5	284.06847	4431-47-4	knapsack	NA	NA
+FL5F1ANS0002	5-Deoxyrhamnocitrin	C16H12O5	284.06847	84638-53-9	knapsack	NA	NA
+FL5F39NS0001	Zuccagin	C16H12O5	284.06847	94393-12-1	knapsack	NA	NA
+FL5FA9NM0001	8-C-Methylgalangin	C16H12O5	284.06847	97208-78-1	knapsack	NA	NA
+FL5FA9NS0003	Galangin 3-methyl ether;5,7-Dihydroxy-3-methoxyflavone;3-Methylgalangin;5,7-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one	C16H12O5	284.06847	6665-74-3	knapsack	NA	NA
+FL5FA9NS0004	Galangin 5-methyl ether	C16H12O5	284.06847	104594-69-6	knapsack	NA	NA
+FL5FA9NS0005	Izalpinin;7-O-Methylgalangin;Galangin 7-methyl ether;3,5-Dihydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one;3,5-Dihydroxy-7-methoxyflavone	C16H12O5	284.06847	480-14-8	knapsack	NA	NA
+FLIA1CNS0004	Calycosin;3'-Hydroxyformononetin	C16H12O5	284.06847	20575-57-9	knapsack	NA	NA
+FLIA1CNS0005	3'-Methoxydaidzein	C16H12O5	284.06847	21913-98-4	knapsack	NA	NA
+FLIA1LNS0001	Xenognosin B;2'-Hydroxyformononetin	C16H12O5	284.06847	1890-99-9	knapsack	NA	NA
+FLIA1LNS0004	Teralin	C16H12O5	284.06847	56581-76-1	knapsack	NA	NA
+FLIA28NS0001	7,2'-Dihydroxy-6-methoxyisoflavone	C16H12O5	284.06847	85580-25-2	knapsack	NA	NA
+FLIA2ANS0002	Texasin;6,7-Dihydroxy-4'-methoxyisoflavone	C16H12O5	284.06847	897-46-1	knapsack	NA	NA
+FLIA2ANS0004	Kakkatin	C16H12O5	284.06847	57960-04-0	knapsack	NA	NA
+FLIA2ANS0005	Glycitein;7,4'-Dihydroxy-6-methoxyisoflavone	C16H12O5	284.06847	40957-83-3	knapsack	NA	NA
+FLIA3ANS0001	Retusin(Dalbergia);7,8-Dihydroxy-4'-methoxyisoflavone	C16H12O5	284.06847	37816-19-6	knapsack	NA	NA
+FLIAABNS0001	Biochanin A;Pratensol;Olmelin;Genistein 4'-methyl ether;5,7-Dihydroxy-4'-methoxyisoflavone	C16H12O5	284.06847	491-80-5	knapsack	NA	NA
+FLIABANS0001	5-O-Methylgenistein	C16H12O5	284.06847	4569-98-6	knapsack	NA	NA
+FLIACANS0001	Prunetin;Prunusetin;Padmakastein;5,4'-Dihydroxy-7-methoxyisoflavone	C16H12O5	284.06847	552-59-0	knapsack	NA	NA
+FLID1CNS0001	(-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan	C16H12O5	284.06847	2035-15-6	knapsack	NA	NA
+FLIH1LNS0001	7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin	C16H12O5	284.06847	54300-95-7	knapsack	NA	NA
+FLII1CNS0003	2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran	C16H12O5	284.06847	67236-31-1	knapsack	NA	NA
+FLNA1CNS0001	7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin	C16H12O5	284.06847	89701-84-8	knapsack	NA	NA
+FLNA29NS0005	Stevenin	C16H12O5	284.06847	36286-69-8	knapsack	NA	NA
+FLNA2ANS0001	Melannin;Melanettin	C16H12O5	284.06847	58115-08-5	knapsack	NA	NA
+FLNAABNS0001	5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin	C16H12O5	284.06847	97746-16-2	knapsack	NA	NA
+MJ022788	1,2,3-Trihydroxy-6-methylanthraquinone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022789	1,2,3-Trihydroxy-7-methylanthraquinone; 2-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022790	1,2,3-Trihydroxyanthraquinone; 1,3-Di-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022791	1,2,3-Trihydroxyanthraquinone; 2,3-Di-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022792	1,2,4-Trihydroxy-3-methylanthraquinone; 4-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022793	1,2,4-Trihydroxy-7-methylanthraquinone; 2-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022794	1,2,4-Trihydroxyanthraquinone; 1,4-Di-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022795	1,2,5-Trihydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022796	1,2,5-Trihydroxy-6-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022797	1,2,5-Trihydroxy-6-methylanthraquinone; 2-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022798	1,2,8-Trihydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022799	1,2,8-Trihydroxy-6-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022800	1,2,8-Trihydroxy-7-methylanthraquinone; 2-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022801	1,3,5-Trihydroxy-7-methylanthraquinone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022802	1,3,6-Trihydroxy-7-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022803	1,3,7-Trihydroxy-6-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022804	1,3,7-Trihydroxy-6-methylanthraquinone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022805	1,3,8-Trihydroxy-6-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022806	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022807	1,3,8-Trihydroxy-6-methylanthraquinone; 8-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022808	1,3,8-Trihydroxyanthraquinone; 1,3-Di-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022809	1,3,8-Trihydroxyanthraquinone; 3,8-Di-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022810	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022811	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022812	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022813	1,4,5-Trihydroxy-2-methylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022814	1,5-Dihydroxy-3-hydroxymethylanthraquinone; 1-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022815	1,6,7-Trihydroxy-2-methylanthraquinone; 6-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022816	1,6,8-Trihydroxy-2-methylanthraquinone; 6-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022817	1,8-Dihydroxy-2-hydroxymethylanthraquinone; 8-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022818	2',4',7-Trihydroxyisoflavone; 2'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022819	2',4',7-Trihydroxyisoflavone; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022820	2',4',7-Trihydroxyisoflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022821	2',5',7-Trihydroxyisoflavone; 5'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022822	2',5,7-Trihydroxy-6-methylisoflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022823	2',5,7-Trihydroxyflavone; 2'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022824	2',5,7-Trihydroxyflavone; 5-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022825	2',5,7-Trihydroxyflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022826	2',6,7-Trihydroxyisoflavone; 6-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022827	2,3,9-Trihydroxy-1,4-anthraquinone; 2,3-Di-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022828	2,6(7)-Dihydroxy-1-methoxy-3-methylanthraquinone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022829	2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 6-Me ether, 9,10-dihydro 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022830	2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 7-Me ether, 9,10-dihydro 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022831	2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Methylene, 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022832	2-(2,4-Dihydroxyphenyl)-5,6-methylenedioxybenzofuran; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022833	2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022834	3',4',7-Trihydroxyflavone; 3'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022835	3',4',7-Trihydroxyflavone; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022836	3',4',7-Trihydroxyisoflavone; 3'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022837	3',4',7-Trihydroxyisoflavone; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022838	3',5,7-Trihydroxyisoflavone; 3'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022839	3,4',7-Trihydroxyflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022840	3,5,7-Trihydroxy-8-methylflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022841	3,5,7-Trihydroxyflavone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022842	3,5,7-Trihydroxyflavone; 5-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022843	3,5,7-Trihydroxyflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022844	3,6,7-Trihydroxyflavone; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022845	3,7,8-Trihydroxyflavone; 8-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022846	3,8,9-Trihydroxypterocarpene; 3-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022847	3-(2,4-Dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022848	3-(3,4-Dihydroxybenzyl)-7-hydroxy-4-chromanone, 3,9-Didehydro(E-) 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022849	3-(3,4-Dihydroxybenzylidene)-7-hydroxy-4-chromanone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022850	3-(3,4-Dihydroxyphenyl)-8-hydroxy-2H-1-benzopyran-2-one; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022851	4',5,6,7-Tetrahydroxyflavylium(1+); 5-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022852	4',5,7-Trihydroxy-3-methylflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022853	4',5,7-Trihydroxyflavone; 5-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022854	4',5-Dihydroxy-7-methoxyflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022855	4',5-Dihydroxy-7-methoxyisoflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022856	4',6,7-Trihydroxyflavone; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022857	4',6,7-Trihydroxyflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022858	4',6,7-Trihydroxyisoflavone; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022859	4',6,7-Trihydroxyisoflavone; 6-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022860	4',6,7-Trihydroxyisoflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022861	4',7,8-Trihydroxyisoflavone; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022862	4',7-Dihydroxy-5-methoxyisoflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022863	4-(3,4-Dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran-2-one; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022864	5,6,7-Trihydroxyflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022865	5,7,10-Trihydroxy-2-methyl-1,4-anthraquinone; 5-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022866	5,7,10-Trihydroxy-2-methyl-1,4-anthraquinone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022867	5,7,8-Trihydroxyflavone; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022868	5,7-Dihydroxy-3-(4-hydroxybenzyl)chromone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022869	5,7-Dihydroxy-4'-methoxyflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022870	5,7-Dihydroxy-4'-methoxyisoflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022871	5,7-Dihydroxy-6-methoxyflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022872	5,7-Dihydroxy-8-methoxyflavone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022873	5-Hydroxy-3,7-dimethoxy-1,4-phenanthraquinone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022874	6,7-Dihydroxy-4-(3-hydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022875	6,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022876	6-Hydroxy-2-(2,4,5-trihydroxyphenyl)benzofuran; 2'-Me, 4',5'-methylene ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022877	6-Hydroxyxanthone-2-carboxylic acid; Me ether, Me ester 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022878	7-Hydroxy-2,8-dimethoxy-1,4-phenanthraquinone 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022879	Brazilein 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022880	Dehydromutactin 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022881	Eucomin, 4'-O-De-Me 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022882	Gancaonin K 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022883	Maackiain 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022884	Nivegin; 4'-Me ether 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MJ022885	Acacetin 	C16H12O5	284.068473	NA	MeJP	NA	NA
+MetaCyc02517	questin []	C16H12O5	284.068473	3774-64-9	metacyc	NA	NA
+MetaCyc02518	glycitein [4-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-chromen-7-one;]	C16H12O5	284.068473	NA	metacyc	NA	NA
+MetaCyc02519	(+)-maackiain []	C16H12O5	284.068473	NA	metacyc	NA	NA
+MetaCyc02520	(-)-maackiain []	C16H12O5	284.068473	NA	metacyc	NA	NA
+MetaCyc02521	prunetin []	C16H12O5	284.068473	NA	metacyc	NA	NA
+MetaCyc02522	acacetin [5,7-Dihydroxy-4'-methoxyflavone;4'-Methoxy-5,7-dihydroxyflavone;linarigenin;linarisenin;]	C16H12O5	284.068473	480-44-4	metacyc	NA	NA
+MetaCyc02523	calycosin [3'-hydroxyformononetin;]	C16H12O5	284.068473	NA	metacyc	NA	NA
+MetaCyc02524	2-hydroxyformononetin []	C16H12O5	284.068473	1890-99-9	metacyc	NA	NA
+MetaCyc02525	biochanin-A [biochanin A;]	C16H12O5	284.068473	491-80-5	metacyc	NA	NA
+HMDB05781	Glycitein	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB05781	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB05781	Glycitein	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB05781	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05781	Glycitein	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB05781	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB05781	Glycitein	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB05781	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02338	Biochanin A	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB02338	HMDB	NA	NA
+HMDB05781	Glycitein	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB05781	HMDB	NA	NA
+HMDB05781	Glycitein	C16H12O5	284.06848	http://www.hmdb.ca/metabolites/HMDB05781	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02338	Biochanin A	C16H12O5	284.06848	HMDB02338	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05781	Glycitein	C16H12O5	284.06848	HMDB05781	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02338	Biochanin A	C16H12O5	284.068481	NA	HMDB2010	NA	NA
+HMDB05781	Glycitein	C16H12O5	284.068481	NA	HMDB2010	NA	NA
+C00814	Biochanin A	C16H12O5	284.0685	NA	KEGG	NA	NA
+C01448	Questin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C01470	Acacetin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C01562	Calycosin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C02920	2'-Hydroxyformononetin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10046	Genkwanin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10047	Geraldone	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10197	Wogonin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10323	Cypripedin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10370	Lucidin omega-methyl ether	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10502	(-)-Maackiain	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10504	Melannin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10521	Prunetin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C10536	Texasin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C11577	3-Methylgalangin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C14536	Glycitein	C16H12O5	284.0685	NA	KEGG	NA	NA
+C16229	(+)-Maackiain	C16H12O5	284.0685	NA	KEGG	NA	NA
+C17039	Obtusifolin	C16H12O5	284.0685	NA	KEGG	NA	NA
+C17045	Physcion	C16H12O5	284.0685	NA	KEGG	NA	NA
+C06948	Diazepam	C16H13ClN2O	284.0716	NA	KEGG	NA	NA
+MJ022886	Diazepam 	C16H13ClN2O	284.07164	NA	MeJP	NA	NA
+MJ022887	Mazindol 	C16H13ClN2O	284.07164	NA	MeJP	NA	NA
+MJ022888	3,6-Dihydro-5-[4-(4-pyridinylamino)phenyl]-2H-1,3,4-thiadiazin-2-one 	C14H12N4OS	284.073181	NA	MeJP	NA	NA
+MJ022889	Nolatrexed 	C14H12N4OS	284.073181	NA	MeJP	NA	NA
+CJpos0681	Xanthosine [(M+H)]+	C10H13N4O6	284.075175	C18rt(min)=4.27 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0681	Xanthosine [(M+H)]+	C10H13N4O6	284.075175	C18rt(min)=4.27 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00299	Xanthosine	C10H12N4O6	284.07568	http://www.hmdb.ca/metabolites/HMDB00299	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00481	Allopurinol riboside	C10H12N4O6	284.07568	http://www.hmdb.ca/metabolites/HMDB00481	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00299	Xanthosine	C10H12N4O6	284.07568	http://www.hmdb.ca/metabolites/HMDB00299	HMDB	NA	NA
+HMDB00481	Allopurinol riboside	C10H12N4O6	284.07568	http://www.hmdb.ca/metabolites/HMDB00481	HMDB	NA	NA
+HMDB00299	Xanthosine	C10H12N4O6	284.07568	http://www.hmdb.ca/metabolites/HMDB00299	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00481	Allopurinol riboside	C10H12N4O6	284.07568	http://www.hmdb.ca/metabolites/HMDB00481	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00299	Xanthosine	C10H12N4O6	284.07568	HMDB00299	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00481	Allopurinol riboside	C10H12N4O6	284.07568	HMDB00481	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00299	Xanthosine	C10H12N4O6	284.075684	NA	HMDB2010	NA	NA
+MJ022890	Xanthosine 	C10H12N4O6	284.075684	NA	MeJP	NA	NA
+MJ022891	Oxanosine 	C10H12N4O6	284.075684	NA	MeJP	NA	NA
+MJ022892	Xanthosine 	C10H12N4O6	284.075684	NA	MeJP	NA	NA
+MetaCyc02526	xanthosine [9 &beta;-D-ribofuranosylxanthine;]	C10H12N4O6	284.075684	146-80-5	metacyc	NA	NA
+C01762	Xanthosine	C10H12N4O6	284.0757	NA	KEGG	NA	NA
+C01764	tRNA containing uridine at position 54	C9H13N2O9P	284.0757	NA	KEGG	NA	NA
+CJneg0496	Xanthosine [(M-H)]-	C10H11N4O6	284.076225	C18rt(min)=4.27 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0496	Xanthosine [(M-H)]-	C10H11N4O6	284.076225	C18rt(min)=4.27 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ022893	2-Amino-8-(hydroxymethyl)-3H-phenoxazin-3-one; N-Ac 	C15H12N2O4	284.079706	NA	MeJP	NA	NA
+MJ022894	9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether 	C15H12N2O4	284.079706	NA	MeJP	NA	NA
+MJ022895	Bufotenine; O-Sulfate 	C12H16N2O4S	284.083077	NA	MeJP	NA	NA
+MJ022896	Tiapirinol 	C12H16N2O4S	284.083077	NA	MeJP	NA	NA
+PJ000168	CY 	C12H16N2O4S	284.0831	NA	PeJP	NA	NA
+C14854	9-Hydroxybenzo[a]pyrene-4,5-oxide	C20H12O2	284.0837	NA	KEGG	NA	NA
+MJ022897	Clenpirin 	C14H18Cl2N2	284.084704	NA	MeJP	NA	NA
+MJ022898	8-Azaguanosine 	C9H12N6O5	284.086917	NA	MeJP	NA	NA
+HMDB11686	p-Cresol glucuronide	C13H16O7	284.0896	NA	HMDB2010	NA	NA
+MJ022899	1-O-Benzoylglucose; ?-D-Pyranose-form 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022900	2,3-Dihydroxy-2-methylbutanoic acid, 3-O-(2,4-Dihydroxy-6-methylbenzoyl) 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022901	2-O-Benzoylglucose 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022902	3-O-Benzoylglucose; ?-D-Pyranose-form 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022903	4-Hydroxybenzaldehyde; O-?-D-Glucopyranoside 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022904	6-O-Benzoylglucose 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022905	Helicide 	C13H16O7	284.089602	NA	MeJP	NA	NA
+MJ022906	Iforrestine 	C14H12N4O3	284.09094	NA	MeJP	NA	NA
+MJ022907	3-(2-Dimethylaminoethyl)-4-hydroxyindole; O-Phosphate 	C12H17N2O4P	284.092593	NA	MeJP	NA	NA
+C07576	Psilocybin	C12H17N2O4P	284.0926	NA	KEGG	NA	NA
+FL1C1ANS0005	Isoliquiritigenin 4,4'-dimethyl ether	C17H16O4	284.10485	-	knapsack	NA	NA
+FL1CA9NM0001	Aurentiacin A	C17H16O4	284.10485	60433-78-5	knapsack	NA	NA
+FL1CA9NM0002	Triangularin	C17H16O4	284.10485	67777-33-7	knapsack	NA	NA
+FL1CA9NM0003	Stercurensin	C17H16O4	284.10485	94388-75-7	knapsack	NA	NA
+FL1CA9NS0004	Flavokawin B	C17H16O4	284.10485	1775-97-9	knapsack	NA	NA
+FL1CRTNS0002	4-Hydroxy-2,4'-dimethoxychalcone;Glypallichalcone	C17H16O4	284.10485	146763-58-8	knapsack	NA	NA
+FL2F39NS0002	7,8-Dimethoxyflavanone	C17H16O4	284.10485	73413-67-9	knapsack	NA	NA
+FL2FA9NM0002	Comptonin	C17H16O4	284.10485	60478-73-1	knapsack	NA	NA
+FL2FA9NM0003	7-O-Methylstrobopinin	C17H16O4	284.10485	55743-20-9	knapsack	NA	NA
+FL2FA9NM0005	5-Hydroxy-7-methoxy-8-C-methylflavanone	C17H16O4	284.10485	55869-77-7	knapsack	NA	NA
+FL2FA9NM0006	Desmethoxymatteucinol	C17H16O4	284.10485	56297-79-1	knapsack	NA	NA
+FL2FA9NS0004	Pinocembrin 5,7-dimethyl ether	C17H16O4	284.10485	36052-66-1	knapsack	NA	NA
+FLID1ANS0004	(-)-Homopterocarpin;Baphinitone;3,9-Dimethoxypterocarpan	C17H16O4	284.10485	606-91-7	knapsack	NA	NA
+FLND2ANS0002	(S)-4,4'-Dimethoxydalbergione	C17H16O4	284.10485	464-87-1	knapsack	NA	NA
+FLND49NS0001	(R)-3,4-Dimethoxydalbergione	C17H16O4	284.10485	3755-64-4	knapsack	NA	NA
+FLNE49NS0001	Kuhlmannene;6-Hydroxy-7,8-dimethoxyneoflavene	C17H16O4	284.10485	20972-80-9	knapsack	NA	NA
+MJ022908	1,6,10-Trihydroxy-2,8,10-trimethyl-9(10H)-anthracenone 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022909	1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 1'-Deoxy, 9-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022910	1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 2'-Deoxy, 9-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022911	2',4',6'-Trihydroxy-3'-methylchalcone; 2'-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022912	2',4',6'-Trihydroxy-3'-methylchalcone; 4'-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022913	2',4',6'-Trihydroxy-3'-methylchalcone; 6'-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022914	2',4',6'-Trihydroxychalcone; 2',4'-Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022915	2',4,4'-Trihydroxychalcone; 4,4'-Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022916	2,3,5,7-Phenanthrenetetrol; 3,5,7-Tri-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022917	2,3,6,7-Phenanthrenetetrol; 2,3,6-Tri-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022918	2,3-Dihydro-2-(4-hydroxyphenyl)-3-methyl-5-benzofurancarboxylic acid, Me ester 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022919	2,4,4'-Trihydroxychalcone, 2,4'-Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022920	2,4,6-Trihydroxychalcone; 2,''4''-Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022921	2,6,7-Trihydroxy-4-phenyl-2H-1-benzopyran; 2,7-Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022922	2-(1,1-Dimethyl-2-propenyl)-3-hydroxy-1,4-naphthoquinone; Ac 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022923	2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022924	2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-3-methylbenzofuran 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022925	2-Phenylethanol; 3,4-Dihydroxycinnamoyl(E-) 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022926	2-Phenylethanol; 3,4-Dihydroxycinnamoyl(Z-) 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022927	3,11-Tridecadiene-5,7,9-triyne-1,2-diol, Di-Ac 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022928	3,4-Dimethoxydalbergione 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022929	3,5-Tridecadiene-7,9,11-triyne-1,2-diol, Di-Ac 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022930	3,9-Dimethoxypterocarpan 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022931	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-benzoyl 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022932	3-(3-Methyl-2-butenyl)naphthoquinone-2-carboxylic acid methyl ester 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022933	4',7,8-Trihydroxyhomoisoflavan; 7,8-Methylene ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022934	4',7-Dihydroxyflavanone, Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022935	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-(6-Oxo-3-methyl-2,4-hexadienyl)(E,E-) 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022936	4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022937	4-Methoxydalbergione, 4'-Methoxy 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022938	5,7-Dihydroxy-6,8-dimethylflavanone 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022939	5,7-Dihydroxy-6-methylflavanone, 5-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022940	5,7-Dihydroxy-6-methylflavanone, 7-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022941	5,7-Dihydroxy-8-methylflavanone, 5-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022942	5,7-Dihydroxy-8-methylflavanone, 7-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022943	5,7-Dihydroxyflavanone, Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022944	6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022945	7,8-Dihydroxyflavanone, Di-Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022946	Agrostophyllin; 9,10-Dihydro 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022947	Alloimperatorin; Me ether 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022948	Benahorin 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022949	Cryptoresinol 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022950	Furopinnarin 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022951	Kuhlmannene 	C17H16O4	284.104859	NA	MeJP	NA	NA
+MJ022952	Mollugin 	C17H16O4	284.104859	NA	MeJP	NA	NA
+C10246	Batatasin I	C17H16O4	284.1049	NA	KEGG	NA	NA
+C10265	Isobatatasin I	C17H16O4	284.1049	NA	KEGG	NA	NA
+C10484	Phenethyl caffeate	C17H16O4	284.1049	NA	KEGG	NA	NA
+MJ022953	Resorthiomycin 	C14H20O4S	284.108229	NA	MeJP	NA	NA
+MJ022954	Dichlorohomolaurane 	C16H22Cl2	284.109856	NA	MeJP	NA	NA
+MJ022955	1-O-?-D-Mannopyranosyl-L-erythritol 	C10H20O9	284.110732	NA	MeJP	NA	NA
+MJ022956	Coformycin 	C11H16N4O5	284.112069	NA	MeJP	NA	NA
+MetaCyc02527	coformycin []	C11H16N4O5	284.11207	11033-22-0	metacyc	NA	NA
+C01677	Coformycin	C11H16N4O5	284.1121	NA	KEGG	NA	NA
+PJ000169	EH 	C11H16N4O5	284.1121	NA	PeJP	NA	NA
+MJ022957	3-Bromocedrane 	C15H25Br	284.113963	NA	MeJP	NA	NA
+MJ022958	Longibornyl bromide 	C15H25Br	284.113963	NA	MeJP	NA	NA
+MJ022959	10-Hydroxy-1,4,6,9-tetramethylpyrido[3,2-g]quinoline-2,8(1H,9H)-dione 	C16H16N2O3	284.116092	NA	MeJP	NA	NA
+MJ022960	4-Methyl-5-(1-methylethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid 	C16H16N2O3	284.116092	NA	MeJP	NA	NA
+MJ022961	?-Carboline-1-propanoic acid; Et ester, 2N-oxide 	C16H16N2O3	284.116092	NA	MeJP	NA	NA
+MJ022962	N-[2-(2,4-Dimethoxyphenyl)ethenyl]-3-pyridinecarboxamide 	C16H16N2O3	284.116092	NA	MeJP	NA	NA
+MJ022963	1,10-Dihydroxy-11(13)-eremophilen-12,8-olide, 10-Deoxy, 10?-chloro 	C15H21ClO3	284.117922	NA	MeJP	NA	NA
+MJ022964	6-Chloro-3,11-lauthisadien-1-yne-9,10-diol 	C15H21ClO3	284.117922	NA	MeJP	NA	NA
+MJ022965	7-Chloro-2-ethyloctahydro-6-(2-penten-4-ynyl)pyrano[3,2-b]pyran-3-ol 	C15H21ClO3	284.117922	NA	MeJP	NA	NA
+MJ022966	7-Chloro-6-hydroxy-8-drimen-12,11-olide 	C15H21ClO3	284.117922	NA	MeJP	NA	NA
+MJ022967	Articaine 	C13H20N2O3S	284.119463	NA	MeJP	NA	NA
+MJ022968	Ozolinone, Et ester 	C13H20N2O3S	284.119463	NA	MeJP	NA	NA
+MJ022969	1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2',4',5'-Tri-Me ether, 2-Ac 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022970	2-Phenylethanol; O-?-D-Galactopyranoside 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022971	2-Phenylethanol; O-?-D-Glucopyranoside 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022972	2-Phenylethanol; O-?-D-Glucopyranoside 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022973	4-Hydroxybenzyl alcohol; 4-Me ether, ?-O-(6-deoxy-?-D-glucopyranoside) 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022974	5-Methyl-1,3-benzenediol; Mono Me ether, O-?-L-rhamnopyranoside 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022975	6-(2,4-Dihydroxypentyl)-5,6-dihydro-2H-pyran-2-one, Di-Ac 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022976	Aspinolide B 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022977	Colletodiol 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022978	Karalicin 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022979	Meliracemoic acid 	C14H20O6	284.125988	NA	MeJP	NA	NA
+MJ022980	Nicaraven 	C15H16N4O2	284.127325	NA	MeJP	NA	NA
+MJ022981	Zomebazam 	C15H16N4O2	284.127325	NA	MeJP	NA	NA
+MJ022982	Clofexamide 	C14H21ClN2O2	284.129155	NA	MeJP	NA	NA
+MJ022983	Clovoxamine 	C14H21ClN2O2	284.129155	NA	MeJP	NA	NA
+C07379	Promazine	C17H20N2S	284.1347	NA	KEGG	NA	NA
+C07380	Transferred to D00480	C17H20N2S	284.1347	NA	KEGG	NA	NA
+C07404	Promethazine	C17H20N2S	284.1347	NA	KEGG	NA	NA
+MJ022984	Isopromethazine 	C17H20N2S	284.134719	NA	MeJP	NA	NA
+MJ022985	Promazine 	C17H20N2S	284.134719	NA	MeJP	NA	NA
+MJ022986	Promethazine 	C17H20N2S	284.134719	NA	MeJP	NA	NA
+MJ022987	Tienopramine 	C17H20N2S	284.134719	NA	MeJP	NA	NA
+MJ022988	Antibiotic DC 8118A 	C13H20N2O5	284.137221	NA	MeJP	NA	NA
+MJ022989	Palythine; 3-N-(1E-Propenyl) 	C13H20N2O5	284.137221	NA	MeJP	NA	NA
+MJ022990	Palythine; 3-N-(1Z-Propenyl) 	C13H20N2O5	284.137221	NA	MeJP	NA	NA
+MJ022991	Siguazodan 	C14H16N6O	284.138559	NA	MeJP	NA	NA
+C09061	Allogibberic acid	C18H20O3	284.1412	NA	KEGG	NA	NA
+C14441	16-Ketoestrone	C18H20O3	284.1412	NA	KEGG	NA	NA
+C14740	alpha,alpha'-Diethyl-3,4,4'-stilbenetriol	C18H20O3	284.1412	NA	KEGG	NA	NA
+HMDB00372	16-Oxoestrone	C18H20O3	284.141235	NA	HMDB2010	NA	NA
+HMDB00372	16-Oxoestrone	C18H20O3	284.14124	http://www.hmdb.ca/metabolites/HMDB00372	HMDB	NA	NA
+FLNC29NS0004	(R)-2,4,5-Trimethoxydalbergiquinol	C18H20O3	284.14124	14753-80-1	knapsack	NA	NA
+HMDB00372	16-Oxoestrone	C18H20O3	284.14124	HMDB00372	PFEM_hmdb_metabocards_official	NA	NA
+MJ022992	1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022993	17-Hydroxy-9,11,13,15-octadecatetraynoic acid 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022994	2,3-Dihydro-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022995	2,3-Dihydro-2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022996	2,3-Dihydro-6-hydroxy-2-hydroxymethyl-3,3-dimethyl-4-phenylbenzofuran; 6-Me ether 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022997	3,4,4'-Trihydroxy-2,7'-cyclolignan 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022998	4,4',5-Trihydroxy-2,7'-cyclolignan 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ022999	4,4'-Dihydroxy-7,7'-epoxylignan 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023000	9,10-Dihydro-1,7-dihydroxy-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023001	9,10-Dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023002	9,10-Dihydro-2,7-dihydroxy-4-(1-hydroxyethyl)-1,8-dimethylphenanthrene 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023003	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2-Me ether 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023004	Dalbergiphenol, Me ether 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023005	Gibberellin B 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023006	Gibberic acid 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023007	Pygmacone 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023008	Solistatin 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023009	Tetrahydro-6-(1,3,9-undecatriene-5,7-diynyl)-2H-pyran-2-ol, Ac 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023010	Yantianmasu 	C18H20O3	284.141244	NA	MeJP	NA	NA
+MJ023011	Doisuthine; 4'-Methoxy, Namide-de-Me 	C17H20N2O2	284.152477	NA	MeJP	NA	NA
+MJ023012	Tropicamide 	C17H20N2O2	284.152477	NA	MeJP	NA	NA
+MJ023013	Tropisetron 	C17H20N2O2	284.152477	NA	MeJP	NA	NA
+C13666	Tropisetron	C17H20N2O2	284.1525	NA	KEGG	NA	NA
+MJ023014	1,3,10-Trihydroxy-4-germacren-12,6-olide 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023015	1,3,4-Trihydroxy-12,6-eudesmanolide 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023016	1,4,5-Trihydroxy-12,6-eudesmanolide 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023017	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023018	3,4,5,11-Tetrahydroxy-6-eudesmen-8-one 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023019	3,4,7-Trihydroxy-11-eudesmen-8-one, 7-Hydroperoxide 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023020	4,10,15-Trihydroxypseudoguaian-12,6-olide 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023021	5,14-Epoxy-4,5,7,8-protoilludanetetrol 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023022	5,6,9-Trihydroxy-7-daucen-14-oic acid 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023023	9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 11?,13-Dihydro 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023024	Aeginetic acid; 2?-Hydroxy 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023025	Artemisinin; 12?-Alcohol 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023026	Botryaloic acid 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023027	Debenzoyltashironin; 8-Alcohol 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023028	Illicinone E; 1?-Alcohol, 2?,3-dihydro 	C15H24O5	284.162373	NA	MeJP	NA	NA
+MJ023029	4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid 	C14H24N2O4	284.173607	NA	MeJP	NA	NA
+MJ023030	2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole; 1,N2,N2,N8,N8-Penta-Me 	C15H20N6	284.174944	NA	MeJP	NA	NA
+MJ023031	Pseudozoanthoxin A; 3,N2,N2,N6,N6-Penta-Me 	C15H20N6	284.174944	NA	MeJP	NA	NA
+C14257	Methyltrienolone	C19H24O2	284.1776	NA	KEGG	NA	NA
+C15194	Androsta-4,9(11)-diene-3,17-dione	C19H24O2	284.1776	NA	KEGG	NA	NA
+C15211	4,4-Bis(4-hydroxyphenyl)heptane	C19H24O2	284.1776	NA	KEGG	NA	NA
+C15255	1-Methylestra-1,3,5(10),6-tetraene-3,17beta-diol	C19H24O2	284.1776	NA	KEGG	NA	NA
+C15323	3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one	C19H24O2	284.1776	NA	KEGG	NA	NA
+C15454	Hexestrol monomethyl ether	C19H24O2	284.1776	NA	KEGG	NA	NA
+MJ023032	1,7-Diphenyl-3,5-heptanediol 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023033	1,9,15-Heptadecatriene-11,13-diyn-8-ol, Ac 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023034	1,9,16-Heptadecatriene-4,6-diyn-3-ol, Ac 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023035	12-Hydroxy-20-nor-1(10),8,11,13-abietatetraen-7-one 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023036	2,8,10-Heptadecatriene-4,6-diyn-1-ol, Ac 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023037	2-Hydroxy-19-nor-1,4,15-beyeratrien-3-one; ent-form 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023038	2-Methyl-6-methylene-2,7-octadien-1-ol, 1-(3-Phenylpropanoyl) 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023039	3-(4-Hydroxyphenyl)-2-propenal, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023040	3-Hydroxy-7-methylestra-1,3,5(10)-trien-17-one 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023041	4-Hydroxymethylathrixianone 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023042	Acalycixeniolide B; 10,11E-Didehydro 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023043	Androsta-1,4-diene-3,17-dione 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023044	Androsta-4,6-diene-3,17-dione 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023045	Faveline; Me ether 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023046	Metribolone 	C19H24O2	284.17763	NA	MeJP	NA	NA
+MJ023047	Salvimultine 	C19H24O2	284.17763	NA	MeJP	NA	NA
+HMDB03422	Boldione 	C19H24O2	284.17764	http://www.hmdb.ca/metabolites/HMDB03422	HMDB	NA	NA
+HMDB03422	Boldione 	C19H24O2	284.17764	HMDB03422	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03422	Boldione	C19H24O2	284.177643	NA	HMDB2010	NA	NA
+HMDB05764	Melanostatin	C13H24N4O3	284.18484	http://www.hmdb.ca/metabolites/HMDB05764	HMDB	NA	NA
+MJ023048	Melanostatin 	C13H24N4O3	284.18484	NA	MeJP	NA	NA
+MJ023049	Spherophysine; N4'-Carboxyacetyl 	C13H24N4O3	284.18484	NA	MeJP	NA	NA
+HMDB05764	Melanostatin	C13H24N4O3	284.18484	HMDB05764	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05764	Melanostatin	C13H24N4O3	284.184845	NA	HMDB2010	NA	NA
+MJ023050	Azaprocin 	C18H24N2O	284.188863	NA	MeJP	NA	NA
+MJ023051	Dasycarpidan-1-methanol 	C18H24N2O	284.188863	NA	MeJP	NA	NA
+MJ023052	Midazogrel 	C18H24N2O	284.188863	NA	MeJP	NA	NA
+MJ023053	Uleine, 1,13-Dihydro, 13-hydroxy 	C18H24N2O	284.188863	NA	MeJP	NA	NA
+MJ023054	Vintoperol 	C18H24N2O	284.188863	NA	MeJP	NA	NA
+MJ023055	10,11-Dihydroxy-2,6-farnesadien-1-oic acid, Me ester 	C16H28O4	284.198759	NA	MeJP	NA	NA
+MJ023056	11,12-Epoxy-8,11,12-drimanetriol, 11-Me ether 	C16H28O4	284.198759	NA	MeJP	NA	NA
+MJ023057	13,14-Epoxy-15-oxohexadecanoic acid 	C16H28O4	284.198759	NA	MeJP	NA	NA
+MJ023058	4,6-Diethyl-6-(1-pentenyl)-1,2-dioxane-3-acetic acid; Me ester 	C16H28O4	284.198759	NA	MeJP	NA	NA
+MJ023059	Asperic acid 	C16H28O4	284.198759	NA	MeJP	NA	NA
+MJ023060	Koninginin A 	C16H28O4	284.198759	NA	MeJP	NA	NA
+MJ023061	Secoisolancifolide 	C16H28O4	284.198759	NA	MeJP	NA	NA
+C16505	(10S)-Juvenile hormone III diol	C16H28O4	284.1988	NA	KEGG	NA	NA
+MJ023062	Tolpiprazole 	C17H24N4	284.200096	NA	MeJP	NA	NA
+EUR083	Retinal	C20H28O	284.214	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR083	Retinal	C20H28O	284.214	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR083	Retinal	C20H28O	284.214	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR083	Retinal	C20H28O	284.214	Wishlist	Inhousejuil11	NA	NA
+C00376	Retinal	C20H28O	284.214	NA	KEGG	NA	NA
+C00377	Steroid	C20H28O	284.214	NA	KEGG	NA	NA
+C02110	11-cis-Retinal	C20H28O	284.214	NA	KEGG	NA	NA
+C02111	2,4-Dioxo acid	C4H2O4	284.214	NA	KEGG	NA	NA
+C02112	2-Acylglycerol	C4H7O4R	284.214	NA	KEGG	NA	NA
+C13037	Lynestrenol	C20H28O	284.214	NA	KEGG	NA	NA
+C14655	17,17-Dimethyl-18-norandrosta-4,13-dien-3-one	C20H28O	284.214	NA	KEGG	NA	NA
+C15016	19-Norpregna-4,17(20)-dien-3-one	C20H28O	284.214	NA	KEGG	NA	NA
+C15170	17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one	C20H28O	284.214	NA	KEGG	NA	NA
+C15262	3-Methoxyestra-1,3,5(10)-trien-16beta-ol	C20H28O	284.214	NA	KEGG	NA	NA
+C16681	9-cis-Retinal	C20H28O	284.214	NA	KEGG	NA	NA
+EUR083	Retinal	C20H28O	284.214015	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR083	Retinal	C20H28O	284.214015	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR083	Retinal	C20H28O	284.214015	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR083	Retinal	C20H28O	284.214015	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR083	Retinal	C20H28O	284.214015	Wishlist	HMDB	NA	NA
+EUR083	Retinal	C20H28O	284.214015	Wishlist	Inhouse_PFEM	NA	NA
+MJ023063	11-cis-Retinal 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023064	Retinal 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023065	1(10),8,11,13-Icetexatetraen-12-ol 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023066	12,16-Epoxy-8,11,13-abietatriene 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023067	15,16-Epoxy-8(17),11,13(16),14-labdatetraene 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023068	4-Eicosene-1,14,19-triyn-3-ol 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023069	5,8,11,13-Abietatetraen-11-ol 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023070	7,18-Fascioladien-17-al 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023071	7,9(11),12-Abietatrien-14-one 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023072	8(13),11(20),14-Amphilectatrien-2-one 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023073	8,11,13,15-Abietatetraen-11-ol 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023074	8,11,13-Abietatrien-12-ol; 5?-form, 6,7-Didehydro 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023075	8,11,13-Abietatrien-19-ol; 19-Aldehyde 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023076	8,11,13-Abietatrien-3-ol, 3-Ketone 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023077	8,11,13-Abietatrien-7-ol; 7?-form, 7-Ketone 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023078	8,11,13-Cleistanthatrien-19-ol; 19-Aldehyde 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023079	8,11,13-Cleistanthatrien-20-ol; 20-Aldehyde 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023080	8,11,13-Totaratrien-13-ol; 1,2-Didehydro 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023081	8,13-Abietadien-19-oic acid; 15,16-Didehydro, 19-aldehyde 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023082	9(11),16-Kauradien-12-ol, 12-Ketone 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023083	Cingestol 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023084	Delanterone 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023085	Lynestrenol 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023086	Retinal 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023087	Retinol; 3,4-Didehydro 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023088	Sempervirol; 6,7-Didehydro 	C20H28O	284.214015	NA	MeJP	NA	NA
+MJ023089	Tigestol 	C20H28O	284.214015	NA	MeJP	NA	NA
+EUR083	Retinal	C20H28O	284.214015	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR083	Retinal	C20H28O	284.214015	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02528	retinal [vitamin A aldehyde;retinene;axerophthal;retinaldehyde;all-trans-Retinal;all-trans-Vitamin A aldehyde;all-trans-Retinene;]	C20H28O1	284.214016	116-31-4	metacyc	NA	NA
+MetaCyc02529	11-cis-Retinal [cis-Retinal;11-cis-Vitamin A aldehyde;11-cis-Retinene;]	C20H28O1	284.214016	564-87-4	metacyc	NA	NA
+HMDB01358	Retinal	C20H28O	284.21402	http://www.hmdb.ca/metabolites/HMDB01358	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01358	Retinal	C20H28O	284.21402	http://www.hmdb.ca/metabolites/HMDB01358	HMDB	NA	NA
+HMDB02152	11-cis-Retinaldehyde	C20H28O	284.21402	http://www.hmdb.ca/metabolites/HMDB02152	HMDB	NA	NA
+HMDB06218	cis-9-retinal	C20H28O	284.21402	http://www.hmdb.ca/metabolites/HMDB06218	HMDB	NA	NA
+HMDB06220	cis-13-retinal	C20H28O	284.21402	http://www.hmdb.ca/metabolites/HMDB06220	HMDB	NA	NA
+HMDB01358	Retinal	C20H28O	284.21402	http://www.hmdb.ca/metabolites/HMDB01358	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01358	Retinal	C20H28O	284.21402	HMDB01358	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02152	11-cis-Retinaldehyde	C20H28O	284.21402	HMDB02152	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06218	cis-9-retinal	C20H28O	284.21402	HMDB06218	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06220	cis-13-retinal	C20H28O	284.21402	HMDB06220	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01358	Retinal	C20H28O	284.21402	NA	HMDB2010	NA	NA
+HMDB02152	11-cis-Retinaldehyde	C20H28O	284.21402	NA	HMDB2010	NA	NA
+HMDB06218	9-cis-Retinal	C20H28O	284.21402	NA	HMDB2010	NA	NA
+HMDB06220	13-cis-Retinal	C20H28O	284.21402	NA	HMDB2010	NA	NA
+MJ023090	3-Methyl-2-phenyl-2-[2-(1-piperidinylethyl)]pentanenitrile 	C19H28N2	284.225248	NA	MeJP	NA	NA
+MJ023091	Decarbomethoxytetrahydrosecodine 	C19H28N2	284.225248	NA	MeJP	NA	NA
+MJ023092	Iprindole 	C19H28N2	284.225248	NA	MeJP	NA	NA
+JH229	Curcumin N/A	NA	284.2299	21.48	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH229	Curcumin N/A	NA	284.2299	21.48	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH229	Curcumin N/A	NA	284.2299	21.48	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH229	Curcumin N/A	NA	284.2299	21.48	Inhousejuil11	NA	NA
+C13792	2-Methoxy-5Z-hexadecenoic acid	C17H32O3	284.2351	NA	KEGG	NA	NA
+C13946	2-Methoxy-6Z-hexadecenoic acid	C17H32O3	284.2351	NA	KEGG	NA	NA
+C14996	12-(2,3-Dihydroxycyclopentyl)-2-dodecanone	C17H32O3	284.2351	NA	KEGG	NA	NA
+MJ023093	10-Hydroxy-4-heptadecenoic acid 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023094	16-Heptadecyne-1,2,4-triol 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023095	2-Hydroxy-5-hexadecenoic acid, Me ether 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023096	2-Hydroxy-6-hexadecenoic acid, Me ether 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023097	2-Tetradecyloxiranecarboxylic acid 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023098	Muricatacin 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023099	Tetrahydro-6-hydroxymethyl-6-undecyl-2H-pyran-2-one 	C17H32O3	284.235144	NA	MeJP	NA	NA
+MJ023100	1,6,9,12,15,18-Heneicosahexaene 	C21H32	284.250401	NA	MeJP	NA	NA
+MJ023101	14-Methylene-1,3,5,10-prenylbisabolatetraene 	C21H32	284.250401	NA	MeJP	NA	NA
+MJ023102	3,6,9,12,15,18-Heneicosahexaene 	C21H32	284.250401	NA	MeJP	NA	NA
+C01530	Octadecanoic acid	C18H36O2	284.2715	NA	KEGG	NA	NA
+HMDB00827	Stearic acid	C18H36O2	284.27151	http://www.hmdb.ca/metabolites/HMDB00827	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00827	Stearic acid	C18H36O2	284.27151	http://www.hmdb.ca/metabolites/HMDB00827	HMDB	NA	NA
+HMDB00827	Stearic acid	C18H36O2	284.27151	http://www.hmdb.ca/metabolites/HMDB00827	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00827	Stearic acid	C18H36O2	284.27151	HMDB00827	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00827	Stearic acid	C18H36O2	284.271515	NA	HMDB2010	NA	NA
+MJ023103	1-Hexadecanol; Ac 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023104	14-Hydroxy-8-octadecanone 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023105	16-Methylheptadecanoic acid 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023106	2-Methylheptadecanoic acid 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023107	2-Methylhexadecanoic acid, Me ester 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023108	3,7,9-Trimethyl-2-tridecanol, Ac 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023109	3-Methylheptadecanoic acid 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MJ023110	Octadecanoic acid 	C18H36O2	284.27153	NA	MeJP	NA	NA
+MetaCyc02530	stearate [octadecanoate (n-C18:0);stearic acid;]	C18H36O2	284.27153	57-11-4	metacyc	NA	NA
+MJ023111	11-(2-Pyrrolidinyl)-2-undecylamine; N1-(2-Hydroxyethyl) 	C17H36N2O	284.282763	NA	MeJP	NA	NA
+8202	ACE inhibitor	VIPEL	284.665	MH2+	Inhouse_peptide	NA	peptide
+MJ023112	2,3,5-Trichloro-6-nitro-1,4-benzenediol; Di-Me ether 	C8H6Cl3NO4	284.93624	NA	MeJP	NA	NA
+MJ023113	4-Amino-6-chloro-1,3-benzenedisulfonic acid; Diamide 	C6H8ClN3O4S2	284.964474	NA	MeJP	NA	NA
+C07460	Chloraminophenamide	C6H8ClN3O4S2	284.9645	NA	KEGG	NA	NA
+MJ023114	Nitrosulfathiazole 	C9H7N3O4S2	284.987797	NA	MeJP	NA	NA
+C10981	Vinclozolin	C12H9Cl2NO3	284.9959	NA	KEGG	NA	NA
+C05155	5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone	C10H8ClN3O5	285.0152	NA	KEGG	NA	NA
+C05156	Aminoacyl-tRNA	C12H19NO11PR3	285.0152	NA	KEGG	NA	NA
+C05157	Peptidyl-aminoacyl-tRNA	C14H21N2O12PR4	285.0152	NA	KEGG	NA	NA
+MetaCyc02531	5-amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone []	C10H8N3O5CL1	285.015248	NA	metacyc	NA	NA
+HMDB06874	Methylcorrinoid	C19HN4	285.02011	http://www.hmdb.ca/metabolites/HMDB06874	HMDB	NA	NA
+HMDB06874	Methylcorrinoid	C19HN4	285.02011	HMDB06874	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06211	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	C6H12N3O8P	285.03619	http://www.hmdb.ca/metabolites/HMDB06211	HMDB	NA	NA
+HMDB06211	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	C6H12N3O8P	285.03619	HMDB06211	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06211	2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine	C6H12N3O8P	285.036194	NA	HMDB2010	NA	NA
+C08728	Riccionidin A	C15H9O6	285.0399	NA	KEGG	NA	NA
+FL7DUNNS0001	Riccionidin A	C15H9O6	285.03991	155518-34-6	knapsack	NA	NA
+JH216	Isorhamnetin [M+H-OMe]+	NA	285.03993	19.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH216	Isorhamnetin [M+H-OMe]+	NA	285.03993	19.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH216	Isorhamnetin [M+H-OMe]+	NA	285.03993	19.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH216	Isorhamnetin [M+H-OMe]+	NA	285.03993	19.02	Inhousejuil11	NA	NA
+MJ023115	5-Amino-9-chloro-2-(2-furanyl)[1,2,4]triazolo[1,5-c]quinoline 	C13H8ClN5O	285.041737	NA	MeJP	NA	NA
+MJ023116	Nifuratel 	C10H11N3O5S	285.041941	NA	MeJP	NA	NA
+MJ023117	2-Chloroadenosine; 2'-Deoxy 	C10H12ClN5O3	285.062866	NA	MeJP	NA	NA
+MJ023118	Actinomycinol 	C15H11NO5	285.063722	NA	MeJP	NA	NA
+MJ023119	Bostrycoidin 	C15H11NO5	285.063722	NA	MeJP	NA	NA
+MJ023120	Marcanine A; 6-Hydroxy, 3-methoxy 	C15H11NO5	285.063722	NA	MeJP	NA	NA
+MJ023121	Scorazanone 	C15H11NO5	285.063722	NA	MeJP	NA	NA
+MJ023122	Fropenem 	C12H15NO5S	285.067093	NA	MeJP	NA	NA
+7751	ACE inhibitor from shark meat hydrolysate	CF	285.068	antioxidative	Inhouse_peptide	NA	peptide
+MJ023123	8-Azaxanthosine 	C9H11N5O6	285.070933	NA	MeJP	NA	NA
+MJ023124	Stirimazole 	C14H11N3O4	285.074955	NA	MeJP	NA	NA
+CJpos0682	Xanthosine [(M+H)]+ (13C)	C913CH13N4O6	285.078475	C18rt(min)=4.27 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0682	Xanthosine [(M+H)]+ (13C)	C913CH13N4O6	285.078475	C18rt(min)=4.27 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0497	Xanthosine [(M-H)]- (13C)	C913CH11N4O6	285.079625	C18rt(min)=4.27 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0497	Xanthosine [(M-H)]- (13C)	C913CH11N4O6	285.079625	C18rt(min)=4.27 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ023125	Flunoxaprofen 	C16H12FNO3	285.080121	NA	MeJP	NA	NA
+MJ023126	3-Pyridinecarboxylic acid; ?-D-Glucopyranosyl ester 	C12H15NO7	285.084851	NA	MeJP	NA	NA
+MJ023127	4-[(2-Hydroxy-4,5-dimethoxyphenyl)amino]-3-hydroxy-4-oxobutanoic acid 	C12H15NO7	285.084851	NA	MeJP	NA	NA
+MJ023128	Buchananine 	C12H15NO7	285.084851	NA	MeJP	NA	NA
+C10134	Buchananine	C12H15NO7	285.0849	NA	KEGG	NA	NA
+MJ023129	3'-Deoxy-3'-fluoroguanosine 	C10H12FN5O4	285.087332	NA	MeJP	NA	NA
+MJ023130	Fludarabine 	C10H12FN5O4	285.087332	NA	MeJP	NA	NA
+MJ023131	Rutaecarpine; 7,8-Didehydro 	C18H11N3O	285.090211	NA	MeJP	NA	NA
+MJ023132	5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole 	C17H16ClNO	285.092041	NA	MeJP	NA	NA
+CJpos0683	N4-acetylcytidine [(M+H)]+	C11H16N3O6	285.095575	C18rt(min)=4.51 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0683	N4-acetylcytidine [(M+H)]+	C11H16N3O6	285.095575	C18rt(min)=4.51 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ023133	4,9-Anhydrotetrodotoxin; 11-Deoxy 	C11H15N3O6	285.096085	NA	MeJP	NA	NA
+MJ023134	Cytidine; 4N-Ac 	C11H15N3O6	285.096085	NA	MeJP	NA	NA
+HMDB05923	N4-Acetylcytidine	C11H15N3O6	285.0961	http://www.hmdb.ca/metabolites/HMDB05923	HMDB	NA	NA
+HMDB05923	N4-Acetylcytidine	C11H15N3O6	285.0961	HMDB05923	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05923	N4-Acetylcytidine	C11H15N3O6	285.0961	NA	HMDB2010	NA	NA
+CJneg0498	N4-acetylcytidine [(M-H)]-	C11H14N3O6	285.096625	C18rt(min)=4.51 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0498	N4-acetylcytidine [(M-H)]-	C11H14N3O6	285.096625	C18rt(min)=4.51 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB06909	1-Acyl-sn-glycero-3-phosphocholine	C9H20NO7P	285.09775	http://www.hmdb.ca/metabolites/HMDB06909	HMDB	NA	NA
+HMDB06909	1-Acyl-sn-glycero-3-phosphocholine	C9H20NO7P	285.09775	HMDB06909	PFEM_hmdb_metabocards_official	NA	NA
+C10643	Arborinine	C16H15NO4	285.1001	NA	KEGG	NA	NA
+MJ023135	1,2,3-Trihydroxyacridone; 2,3,10-O,O,N-Tri-Me 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023136	1,3,4-Trihydroxyacridone; O3,O4,N-Tri-Me 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023137	1,3,5-Trihydroxyacridone; O3,O5,N-Tri-Me 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023138	2,7-Dihydroxy-9H-carbazole-3-carboxaldehyde; 3-Carboxylic acid, di-Me ether, Me ester 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023139	3-Amino-2-hydroxy-3-phenylpropanoic acid, N-Benzoyl 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023140	4-Hydroxy-3-methoxy-2-methyl-9H-carbazole-1-carboxaldehyde; 6-Methoxy 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023141	Anirolac 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023142	Araprofen 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023143	Ismineyl 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023144	Oduline; 7-Ketone, N-de-Me 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+MJ023145	Ptelefolidone 	C16H15NO4	285.100107	NA	MeJP	NA	NA
+C08163	Letrozole	C17H11N5	285.1014	NA	KEGG	NA	NA
+MJ023146	Letrozole 	C17H11N5	285.101445	NA	MeJP	NA	NA
+MJ023147	Probenecid 	C13H19NO4S	285.103478	NA	MeJP	NA	NA
+C07372	Probenecid	C13H19NO4S	285.1035	NA	KEGG	NA	NA
+C07195	Vidarabine	C10H13N5O4	285.1073	NA	KEGG	NA	NA
+MJ023148	Verazide 	C15H15N3O3	285.111341	NA	MeJP	NA	NA
+MJ023149	2,4-Dimethyl-1H-pyrrole-3-carboxylic acid; ?-L-Rhamnopyranosyl ester 	C13H19NO6	285.121237	NA	MeJP	NA	NA
+MJ023150	Mycosporin 2 	C13H19NO6	285.121237	NA	MeJP	NA	NA
+MJ023151	Taniplon 	C14H15N5O2	285.122574	NA	MeJP	NA	NA
+MJ023152	1-(3-Indolyl)-?-carboline; 3,4-Dihydro 	C19H15N3	285.126597	NA	MeJP	NA	NA
+MJ023153	Isothipendyl 	C16H19N3S	285.129968	NA	MeJP	NA	NA
+MJ023154	Prothipendyl 	C16H19N3S	285.129968	NA	MeJP	NA	NA
+HMDB02171	Glycylprolylhydroxyproline	C12H19N3O5	285.132477	NA	HMDB2010	NA	NA
+HMDB02171	Glycylprolylhydroxyproline	C12H19N3O5	285.13248	http://www.hmdb.ca/metabolites/HMDB02171	HMDB	NA	NA
+HMDB02171	Glycylprolylhydroxyproline	C12H19N3O5	285.13248	HMDB02171	PFEM_hmdb_metabocards_official	NA	NA
+MJ023155	Lanperisone 	C15H18F3NO	285.134048	NA	MeJP	NA	NA
+MJ023156	1-Piperoylpiperidine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023157	2,3-Dihydroxy-3-phenylpropanoic acid, 2-Phenylethylamide 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023158	3,4,6-Trihydroxy-1,2-dimethylcarbazole; Tri-Me ether 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023159	Anicanine, O6,N-Di-de-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023160	Apohyoscine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023161	Buphanisine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023162	Cherylline 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023163	Corgoine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023164	Crotsparinine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023165	Erysotrine, O15,O16-Di-de-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023166	Erysotrine, O3,O15-Di-de-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023167	Erysotrine, O3,O16-Di-de-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023168	Higenamine, O6-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023169	Higenamine, O7-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023170	Higenamine, N-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023171	Higenamine, O6-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023172	Hydromorphone 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023173	Isocrotsparinine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023174	Jacularine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023175	Juziphine; N-De-Me 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023176	Latifine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023177	Moiramide A 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023178	Morphine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023179	Narcissus Base D 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023180	Narwedine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023181	Normorphine; 3-Me ether 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023182	Strobamine; 7-Hydroxy 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023183	Tembamide, Me ether 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023184	Ungernia severtzovii Alkaloid 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023185	(S)-Coclaurine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023186	Morphine 	C17H19NO3	285.136493	NA	MeJP	NA	NA
+MJ023187	Balfourodinium, 1'-Deoxy, 1',2'-didehydro 	C17H20NO3(+)	285.136493	NA	MeJP	NA	NA
+MetaCyc02532	(S)-coclaurine []	C17H19N1O3	285.136493	NA	metacyc	NA	NA
+MetaCyc02533	(R)-coclaurine []	C17H19N1O3	285.136493	NA	metacyc	NA	NA
+MetaCyc02534	N-(E,E)-piperoyl-piperidine []	C17H19N1O3	285.136493	94-62-2	metacyc	NA	NA
+MetaCyc02535	morphine []	C17H19N1O3	285.136493	57-27-2	metacyc	NA	NA
+C01516	Morphine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C03882	Piperine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C06161	(S)-Coclaurine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C06348	(R,S)-Coclaurine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C06349	(R)-Coclaurine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C07042	Hydromorphone	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C08534	Narwedine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C09422	Erysonine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C10844	Apohyoscine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C12167	Cherylline	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C16576	Norcodeine	C17H19NO3	285.1365	NA	KEGG	NA	NA
+C10587	Cynometrine	C16H19N3O2	285.1477	NA	KEGG	NA	NA
+MJ023188	Cyclo(tryptophylvalyl) 	C16H19N3O2	285.147726	NA	MeJP	NA	NA
+MJ023189	Cynolujine 	C16H19N3O2	285.147726	NA	MeJP	NA	NA
+MJ023190	Cynometrine 	C16H19N3O2	285.147726	NA	MeJP	NA	NA
+MJ023191	Isocynometrine 	C16H19N3O2	285.147726	NA	MeJP	NA	NA
+MJ023192	Intriptyline 	C21H19N	285.151749	NA	MeJP	NA	NA
+3094	gliadin 1 exorphin	PLG	285.157	celiac toxic	Inhouse_peptide	NA	peptide
+3370	ACE inhibitor from beta-CN (177-179)	AVP	285.157	celiac toxic	Inhouse_peptide	NA	peptide
+3521	ACE inhibitor	VAP	285.157	ACE inhibitor	Inhouse_peptide	NA	peptide
+7506	ACE inhibitor from Alaskan pollack skin	GPL	285.157	antioxidative	Inhouse_peptide	NA	peptide
+7507	ACE inhibitor from Alaskan pollack skin	PGL	285.157	antioxidative	Inhouse_peptide	NA	peptide
+7508	ACE inhibitor from Alaskan pollack skin	LGP	285.157	antioxidative	Inhouse_peptide	NA	peptide
+7509	ACE inhibitor from Alaskan pollack skin	GLP	285.157	antioxidative	Inhouse_peptide	NA	peptide
+7510	ACE inhibitor from Alaskan pollack skin	PLG	285.157	antioxidative	Inhouse_peptide	NA	peptide
+7511	ACE inhibitor from Alaskan pollack skin	LPG	285.157	antioxidative	Inhouse_peptide	NA	peptide
+MJ023193	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(2-Hydroxy-3-methylpentanoyl)(2S,3S-), N-oxide 	C14H23NO5	285.157622	NA	MeJP	NA	NA
+MJ023194	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O9-(2-Hydroxy-3-methylpentanoyl)(2S,3S-), N-oxide 	C14H23NO5	285.157622	NA	MeJP	NA	NA
+44	Skin gelatin	GPL	285.158	celiac toxic	Inhouse_peptide	NA	peptide
+C01833	Leu-Gly-Pro	C13H23N3O4	285.1689	NA	KEGG	NA	NA
+C01834	Lipoprotein	C13H23N3O4	285.1689	NA	KEGG	NA	NA
+PJ000170	GPL 	C13H23N3O4	285.1689	NA	PeJP	NA	NA
+MJ023195	2,3-Hexalobine E 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023196	2-Nonyl-4(1H)-quinolinone; 8'-Oxo 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023197	3,5-Bis(3-methyl-2-butenyl)-1H-indole; (2'R,3':2''S,3'')-Diepoxide 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023198	3,5-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer, 3''-hydroxy, 2'R,3'-epoxide 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023199	3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2'R,3':2''R,3''-Bisepoxide 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023200	3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2'S,3':2''S,3''-Bisepoxide 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023201	3,6-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer(E-), 3''-hydroxy, 2'R,3'-epoxide 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023202	3,6-Bis(3-methyl-2-butenyl)-1H-indole; ?1''-Isomer(Z-), 3''-hydroxy, 2'R,3'-epoxide 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023203	Butinazocine 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023204	Cocculine; Me ether 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023205	Dienomycin C; O-Ac 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023206	Isococculidine 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023207	Ketazocine 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023208	Medrylamine 	C18H23NO2	285.172878	NA	MeJP	NA	NA
+MJ023209	Pachygonine 	C18H24NO2(+)	285.172879	NA	MeJP	NA	NA
+C09546	Isococculidine	C18H23NO2	285.1729	NA	KEGG	NA	NA
+C11798	Mepyramine	C17H23N3O	285.1841	NA	KEGG	NA	NA
+MJ023210	Mepyramine 	C17H23N3O	285.184112	NA	MeJP	NA	NA
+MJ023211	Piperylone 	C17H23N3O	285.184112	NA	MeJP	NA	NA
+CJpos0684	Octenoylcarnitine [(M+H)]+	C15H28NO4	285.193475	C18rt(min)=7.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0684	Octenoylcarnitine [(M+H)]+	C15H28NO4	285.193475	C18rt(min)=7.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB13324	2-Octenoylcarnitine	C15H27NO4	285.194	NA	HMDB2010	NA	NA
+MJ023212	Trachelanthamine 	C15H27NO4	285.194008	NA	MeJP	NA	NA
+MJ023213	2,4,10-Tetradecatrien-8-ynoic acid, Piperidide 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023214	2,4-Tetradecadiene-8,10-diynoic acid, 3-Methylbutylamide 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023215	2,9-Pentadecadiene-12,14-diynoic acid, 2-Methylpropylamide 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023216	2-Nonyl-4(1H)-quinolinone; NH-form, N-Me 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023217	3-Methyl-2-(2-nonenyl)-4(1H)-quinolinone; 2',3'-Dihydro 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023218	Anacycline, N-Me 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023219	Ciprefadol 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023220	Histrionicotoxins; Histrionicotoxin 285A 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023221	Histrionicotoxins; Histrionicotoxin 285B 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023222	Histrionicotoxins; Histrionicotoxin 285C 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023223	Histrionicotoxins; Histrionicotoxin 285E 	C19H27NO	285.209264	NA	MeJP	NA	NA
+MJ023224	Pentazocine 	C19H27NO	285.209264	NA	MeJP	NA	NA
+C07421	Pentazocine	C19H27NO	285.2093	NA	KEGG	NA	NA
+MJ023225	Sulfinemycin 	C16H31NOS	285.212635	NA	MeJP	NA	NA
+MJ023226	2-Amino-4-heptadecene-1,3-diol 	C17H35NO2	285.266779	NA	MeJP	NA	NA
+7848	NA	YPFF~	285.6335	MH2+	Inhouse_peptide	NA	peptide
+C15236	8-Hydroxy-2,3,4-trichlorodibenzofuran	C12H5Cl3O2	285.9355	NA	KEGG	NA	NA
+C15238	8-Hydroxy-3,4,6-trichlorodibenzofuran	C12H5Cl3O2	285.9355	NA	KEGG	NA	NA
+MJ023227	2,2'-Thiobis[4-chlorophenol] 	C12H8Cl2O2S	285.962205	NA	MeJP	NA	NA
+MJ023228	Flufosal 	C8H6F3O6P	285.985409	NA	MeJP	NA	NA
+MJ023229	Brallobarbital 	C10H11BrN2O3	285.995304	NA	MeJP	NA	NA
+MJ023230	[2-(3-Bromo-4-hydroxyphenyl)ethyl]ethanediamide 	C10H11BrN2O3	285.995304	NA	MeJP	NA	NA
+MJ023231	4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-Isopropyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane 	C9H18S5	286.001204	NA	MeJP	NA	NA
+MetaCyc02536	indolylmethyl glucosinolate aglycone []	C10H10N2O4S2	286.008198	NA	metacyc	NA	NA
+MJ023232	3-[5-(2-Thienylethynyl)-2-thienyl]-2-propyn-1-ol; Ac 	C15H10O2S2	286.01222	NA	MeJP	NA	NA
+MJ023233	5-(2,3-Dichlorophenyl)-6-(fluoromethyl)-2,4-pyrimidinediamine 	C11H9Cl2FN4	286.018829	NA	MeJP	NA	NA
+MJ023234	Sulfametrole 	C9H10N4O3S2	286.019431	NA	MeJP	NA	NA
+MJ023235	Djenkolic acid, S,S'-Dioxide 	C7H14N2O6S2	286.029327	NA	MeJP	NA	NA
+JH213	Taxifolin (=dihydroquercetin) [M+H-H20]+	NA	286.0466	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH213	Taxifolin (=dihydroquercetin) [M+H-H20]+	NA	286.0466	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH213	Taxifolin (=dihydroquercetin) [M+H-H20]+	NA	286.0466	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH213	Taxifolin (=dihydroquercetin) [M+H-H20]+	NA	286.0466	14.15	Inhousejuil11	NA	NA
+JH196	Kaempferol [M+H]+	C15H10O6	286.0471	19.43	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH196	Kaempferol [M+H]+	C15H10O6	286.0471	19.43	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH196	Kaempferol [M+H]+	C15H10O6	286.0471	19.43	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH196	Kaempferol [M+H]+	C15H10O6	286.0471	19.43	Inhousejuil11	NA	NA
+JH197	Luteolin [M+H]+	C15H10O6	286.0472	17.31	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH197	Luteolin [M+H]+	C15H10O6	286.0472	17.31	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH197	Luteolin [M+H]+	C15H10O6	286.0472	17.31	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH197	Luteolin [M+H]+	C15H10O6	286.0472	17.31	Inhousejuil11	NA	NA
+JH232	Luteolin-4-O-glucoside [M+H-glucoside]+	NA	286.0474	14.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH232	Luteolin-4-O-glucoside [M+H-glucoside]+	NA	286.0474	14.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH232	Luteolin-4-O-glucoside [M+H-glucoside]+	NA	286.0474	14.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH232	Luteolin-4-O-glucoside [M+H-glucoside]+	NA	286.0474	14.55	Inhousejuil11	NA	NA
+C01514	Luteolin	C15H10O6	286.0477	NA	KEGG	NA	NA
+C05903	Kaempferol	C15H10O6	286.0477	NA	KEGG	NA	NA
+C08576	Aureusidin	C15H10O6	286.0477	NA	KEGG	NA	NA
+C08720	Maritimetin	C15H10O6	286.0477	NA	KEGG	NA	NA
+C08721	Polysialic acid acetylated at O-9	C15H10O6	286.0477	NA	KEGG	NA	NA
+C10036	Datiscetin	C15H10O6	286.0477	NA	KEGG	NA	NA
+C10041	Fisetin	C15H10O6	286.0477	NA	KEGG	NA	NA
+C10097	Isoscutellarein	C15H10O6	286.0477	NA	KEGG	NA	NA
+C10184	Scutellarein	C15H10O6	286.0477	NA	KEGG	NA	NA
+C10510	Orobol	C15H10O6	286.0477	NA	KEGG	NA	NA
+C12134	2'-Hydroxygenistein	C15H10O6	286.0477	NA	KEGG	NA	NA
+C17786	6-Demethoxycapillarisin	C15H10O6	286.0477	NA	KEGG	NA	NA
+C17810	Citreorosein	C15H10O6	286.0477	NA	KEGG	NA	NA
+HMDB05800	Luteolin	C15H10O6	286.047729	NA	HMDB2010	NA	NA
+HMDB05801	Kaempferol	C15H10O6	286.047729	NA	HMDB2010	NA	NA
+HMDB05794	Quercetin	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05794	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05801	kaempferol	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05801	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05794	Quercetin	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05794	HMDB	NA	NA
+HMDB05800	Luteolin	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05800	HMDB	NA	NA
+HMDB05801	kaempferol	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05801	HMDB	NA	NA
+FL1A3CNS0001	Maritimetin	C15H10O6	286.04773	576-02-3	knapsack	NA	NA
+FL1AACNS0001	Aureusidin	C15H10O6	286.04773	480-70-6	knapsack	NA	NA
+FL1AFANS0001	Helmon;4,7,4',6-Tetrahydroxyaurone	C15H10O6	286.04773	160525-59-7	knapsack	NA	NA
+FL3F1GNS0001	7,3',4',5'-Tetrahydroxyflavone	C15H10O6	286.04773	67858-31-5	knapsack	NA	NA
+FL3FA8NS0007	5,7,2',5'-Tetrahydroxyflavone;2-(2,5-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C15H10O6	286.04773	74805-72-4	knapsack	NA	NA
+FL3FA8NS0010	5,7,2',6'-Tetrahydroxyflavone;2-(2,6-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C15H10O6	286.04773	82475-00-1	knapsack	NA	NA
+FL3FA8NS0013	5,7,2',3'-Tetrahydroxyflavone;2-(2,3-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C15H10O6	286.04773	74805-70-2	knapsack	NA	NA
+FL3FACNS0001	Luteolin	C15H10O6	286.04773	491-70-3	knapsack	NA	NA
+FL3FALNS0002	Norartocarpetin	C15H10O6	286.04773	520-30-9	knapsack	NA	NA
+FL3FEANS0002	Scutellarein	C15H10O6	286.04773	529-53-3	knapsack	NA	NA
+FL3FFANS0001	Isoscutellarein;8-Hydroxyapigenin;4',5,7,8-Tetrahydroxyflavone;5,7,8-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C15H10O6	286.04773	41440-05-5	knapsack	NA	NA
+FL5F1CNS0001	Fisetin;3,3',4',7-Tetrahydroxyflavone;2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one	C15H10O6	286.04773	528-48-3	knapsack	NA	NA
+FL5F3ANS0001	3,7,8,4'-Tetrahydroxyflavone	C15H10O6	286.04773	1429-28-3	knapsack	NA	NA
+FL5FA8NS0001	Datiscetin	C15H10O6	286.04773	480-15-9	knapsack	NA	NA
+FL5FAANS0001	Kaempferol;Nimbecetin;Pelargidenolon;Rhamnolutein;3,5,7,4'-Tetrahydroxyflavone;5,7,4'-Trihydroxyflavonol;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C15H10O6	286.04773	520-18-3	knapsack	NA	NA
+FL5FE9NS0001	6-Hydroxygalangin;3,5,6,7-Tetrahydroxy-2-phenyl-4H-1-benzopyran-4-one	C15H10O6	286.04773	142646-44-4	knapsack	NA	NA
+FL5FF9NS0001	8-Hydroxygalangin	C15H10O6	286.04773	74693-69-9	knapsack	NA	NA
+FLIA1GNS0001	Baptigenin	C15H10O6	286.04773	5908-63-4	knapsack	NA	NA
+FLIA3LNS0003	7,8,2',4'-Tetrahydroxyisoflavone	C15H10O6	286.04773	14756-61-7	knapsack	NA	NA
+FLIAACNS0001	Orobol;Norsantal;Santol;5,7,3',4'-Tetrahydroxyisoflavone	C15H10O6	286.04773	480-23-9	knapsack	NA	NA
+FLIAALNS0002	2'-Hydroxygenistein	C15H10O6	286.04773	1156-78-1	knapsack	NA	NA
+FLIAEANS0004	6-Hydroxygenistein	C15H10O6	286.04773	13539-26-9	knapsack	NA	NA
+HMDB05794	Quercetin	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05794	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05801	kaempferol	C15H10O6	286.04773	http://www.hmdb.ca/metabolites/HMDB05801	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05794	Quercetin	C15H10O6	286.04773	HMDB05794	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05800	Luteolin	C15H10O6	286.04773	HMDB05800	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05801	kaempferol	C15H10O6	286.04773	HMDB05801	PFEM_hmdb_metabocards_official	NA	NA
+MJ023236	1,2,3,5-Tetrahydroxy-6-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023237	1,2,3,6-Tetrahydroxy-8-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023238	1,2,3,7-Tetrahydroxyxanthone; 2,3-Methylene, 1-Me ether 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023239	1,2,3,8-Tetrahydroxy-6-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023240	1,2,3,8-Tetrahydroxyanthraquinone; 2-Me ether 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023241	1,2,4,5-Tetrahydroxy-3-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023242	1,2,4,5-Tetrahydroxy-7-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023243	1,2,4,5-Tetrahydroxyanthraquinone; 1-Me ether 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023244	1,2,5,7-Tetrahydroxy-4-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023245	1,2,6,8-Tetrahydroxy-3-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023246	1,2,8-Trihydroxy-6-(hydroxymethyl)anthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023247	1,3,4,5-Tetrahydroxy-2-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023248	1,3,5,6-Tetrahydroxy-2-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023249	1,3,8-Trihydroxy-2-hydroxymethylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023250	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023251	1,4,5,7-Tetrahydroxy-2-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023252	1,4,5,8-Tetrahydroxy-2-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023253	1,4,7,8-Tetrahydroxy-2-methylanthraquinone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023254	2',3',5,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023255	2',3,5,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023256	2',4',5,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023257	2',4',5,7-Tetrahydroxyisoflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023258	2',4',7,8-Tetrahydroxyisoflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023259	2',5,5',7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023260	2',5,6',7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023261	2',5,7,8-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023262	2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl) 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023263	2,7-Dihydroxydibenzo[b,e]dioxin-1,6-dicarboxaldehyde; 2-Me ether 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023264	2,8-Dihydroxyxanthone-1-carboxylic acid; Me ester 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023265	2-(2,3-Dihydroxybenzoyl)-6-hydroxy-1,4-benzenedicarboxaldehyde 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023266	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023267	3',4',5',7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023268	3',4',5',7-Tetrahydroxyisoflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023269	3',4',5,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023270	3',4',5,7-Tetrahydroxyisoflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023271	3',4',6,7-Tetrahydroxyaurone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023272	3',4,4',6-Tetrahydroxyaurone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023273	3,3',4',7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023274	3,4',5,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023275	3,4',5,8-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023276	3,4',6,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023277	3,4',7,8-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023278	3,5,6,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023279	3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023280	3-(3,4-Dihydroxyphenyl)-8-hydroxy-1H-2-benzopyran-1-one; 6-Hydroxy 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023281	4',5,6,7-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023282	4',5,6,7-Tetrahydroxyisoflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023283	4',5,7,8-Tetrahydroxyflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023284	4',5,7,8-Tetrahydroxyisoflavone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023285	4,4',6,7-Tetrahydroxyaurone 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023286	7-Hydroxy-9-methyl-6-oxo-6H-oxepino[2,3-b][1]benzopyran-5-carboxylic acid 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023287	9,10-Dihydro-4,5,7,9-tetrahydroxy-10-oxo-2-anthracenecarboxaldehyde 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023288	Hypostrepsilalic acid 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023289	Pinselic acid 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023290	Pratoletin 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023291	Strepsilin; 1?-Hydroxy 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023292	2',3,4',5,7-Pentahydroxyflavylium(1+) 	C15H11O6(+)	286.047738	NA	MeJP	NA	NA
+MJ023293	3',4',5,5',7-Pentahydroxyflavylium(1+) 	C15H11O6(+)	286.047738	NA	MeJP	NA	NA
+MJ023294	3,3',4',5',7-Pentahydroxyflavylium(1+) 	C15H11O6(+)	286.047738	NA	MeJP	NA	NA
+MJ023295	3,3',4',5,7-Pentahydroxyflavylium(1+) 	C15H11O6(+)	286.047738	NA	MeJP	NA	NA
+MJ023296	3,3',4',7,8-Pentahydroxyflavylium(1+) 	C15H11O6(+)	286.047738	NA	MeJP	NA	NA
+MJ023297	Kaempferol 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MJ023298	Luteolin 	C15H10O6	286.047738	NA	MeJP	NA	NA
+MetaCyc02537	2'-hydroxygenistein [5,7,2',4'-tetrahydroxyisoflavone;]	C15H10O6	286.047738	NA	metacyc	NA	NA
+MetaCyc02538	luteolin [3',4',5,7-tetrahydroxyflavone;3',4',5,7-tetrahydroxyflavone;5,7,3',4'-tetrahydroxyflavone;]	C15H10O6	286.047738	491-70-3	metacyc	NA	NA
+MetaCyc02539	kaempferol []	C15H10O6	286.047738	NA	metacyc	NA	NA
+MetaCyc02540	aureusidin []	C15H10O6	286.047738	NA	metacyc	NA	NA
+JH234	Luteolin-7-O-glucoside [M+H-glucoside]+	NA	286.0498	13.24	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH234	Luteolin-7-O-glucoside [M+H-glucoside]+	NA	286.0498	13.24	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH234	Luteolin-7-O-glucoside [M+H-glucoside]+	NA	286.0498	13.24	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH234	Luteolin-7-O-glucoside [M+H-glucoside]+	NA	286.0498	13.24	Inhousejuil11	NA	NA
+MJ023299	Tauromustine 	C7H15ClN4O4S	286.050253	NA	MeJP	NA	NA
+C07359	Oxazepam	C15H11ClN2O2	286.0509	NA	KEGG	NA	NA
+MJ023300	Demoxepam 	C15H11ClN2O2	286.050905	NA	MeJP	NA	NA
+MJ023301	Oxazepam 	C15H11ClN2O2	286.050905	NA	MeJP	NA	NA
+MJ023302	Fenclorac 	C14H16Cl2O2	286.052735	NA	MeJP	NA	NA
+MJ023303	Imirestat 	C15H8F2N2O2	286.055383	NA	MeJP	NA	NA
+MJ023304	2-Cyano-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]-2-butenamide 	C12H9F3N2O3	286.056526	NA	MeJP	NA	NA
+C03838	5'-Phosphoribosylglycinamide	C7H15N2O8P	286.0566	NA	KEGG	NA	NA
+MJ023305	Glycinamide ribonucleotide 	C7H15N2O8P	286.056601	NA	MeJP	NA	NA
+MJ023306	5'-Phosphoribosylglycinamide 	C7H15N2O8P	286.056602	NA	MeJP	NA	NA
+MetaCyc02541	5-phospho-ribosyl-glycineamide [N1-(5-Phospho-D-ribosyl)glycinamide;5'-phosphoribosylglycinamide;5'-phosphoribosylglycineamide;5'-p-ribosylglycinamide;5'-p-ribosylglycineamide;GAR;]	C7H15N2O8P1	286.056602	NA	metacyc	NA	NA
+HMDB02022	Glycineamideribotide	C7H15N2O8P	286.05661	http://www.hmdb.ca/metabolites/HMDB02022	HMDB	NA	NA
+HMDB02022	Glycineamideribotide	C7H15N2O8P	286.05661	HMDB02022	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02022	Glycineamideribotide	C7H15N2O8P	286.05661	NA	HMDB2010	NA	NA
+MJ023307	Cinnabarine 	C14H10N2O5	286.058971	NA	MeJP	NA	NA
+C15439	2-Methacryloyloxyethyl phenyl phosphate	C12H15O6P	286.0606	NA	KEGG	NA	NA
+C13546	Olprinone hydrochloride	C14H10N4O	286.0621	NA	KEGG	NA	NA
+MJ023308	3,4-Dihydroxybenzoic acid; ?-D-Xylopyranosyl ester 	C12H14O8	286.068867	NA	MeJP	NA	NA
+MJ023309	Fukiic acid, 3'-Me ether 	C12H14O8	286.068867	NA	MeJP	NA	NA
+MJ023310	Leptanthin 	C12H18N2O2S2	286.080969	NA	MeJP	NA	NA
+C00786	(-)-Vestitone	C16H14O5	286.0841	NA	KEGG	NA	NA
+C00787	tRNA(Tyr)	C15H21N5O10PR	286.0841	NA	KEGG	NA	NA
+C02675	Dihydrobiochanin A	C16H14O5	286.0841	NA	KEGG	NA	NA
+C02922	2'-O-Methyllicodione	C16H14O5	286.0841	NA	KEGG	NA	NA
+C05334	4'-Methoxy-5,7-dihydroxyflavonone	C16H14O5	286.0841	NA	KEGG	NA	NA
+C08844	Moracin A	C16H14O5	286.0841	NA	KEGG	NA	NA
+C08974	Sainfuran	C16H14O5	286.0841	NA	KEGG	NA	NA
+C09044	Quinquangulin	C16H14O5	286.0841	NA	KEGG	NA	NA
+C09282	Oxypeucedanin	C16H14O5	286.0841	NA	KEGG	NA	NA
+C09833	Sakuranetin	C16H14O5	286.0841	NA	KEGG	NA	NA
+C09920	Brazilin	C16H14O5	286.0841	NA	KEGG	NA	NA
+C09975	2',4',6'-Trihydroxy-3'-formyldihydrochalcone	C16H14O5	286.0841	NA	KEGG	NA	NA
+C10274	Phyllodulcin	C16H14O5	286.0841	NA	KEGG	NA	NA
+C10508	(-)-Nissolin	C16H14O5	286.0841	NA	KEGG	NA	NA
+C12434	(S)-DNPA	C16H14O5	286.0841	NA	KEGG	NA	NA
+C16190	2,7-Dihydroxy-4'-methoxyisoflavanone	C16H14O5	286.0841	NA	KEGG	NA	NA
+FL1C1CNS0002	Homobutein	C16H14O5	286.08412	24000-39-0	knapsack	NA	NA
+FL1C1CNS0003	3,2',4'-Trihydroxy-4-methoxychalcone	C16H14O5	286.08412	13323-67-6	knapsack	NA	NA
+FL1C1CNS0004	Sappanchalcone	C16H14O5	286.08412	94344-54-4	knapsack	NA	NA
+FL1C1CNS0005	Calythropsin	C16H14O5	286.08412	-	knapsack	NA	NA
+FL1C3ANS0002	Kukulkanin B	C16H14O5	286.08412	124704-83-2	knapsack	NA	NA
+FL1CA8NS0001	2,2',4'-Trihydroxy-6'-methoxychalcone	C16H14O5	286.08412	260541-75-1	knapsack	NA	NA
+FL1CABNS0001	2',4',6'-Trihydroxy-4-methoxychalcone	C16H14O5	286.08412	56927-09-4	knapsack	NA	NA
+FL1CBANS0001	Helichrysetin;4,2',4'-Trihydroxy-6'-methoxychalcone	C16H14O5	286.08412	62014-87-3	knapsack	NA	NA
+FL1CCANS0001	Neosakuranetin	C16H14O5	286.08412	81719-04-2	knapsack	NA	NA
+FL1CHYNS0003	Licodione 2'-methyl ether	C16H14O5	286.08412	75808-78-5	knapsack	NA	NA
+FL1CHYNS0004	2',6',beta-Trihydroxy-4'-methoxychalcone	C16H14O5	286.08412	35486-66-9	knapsack	NA	NA
+FL1CHYNS0005	2',4',beta-Trihydroxy-6'-methoxychalcone	C16H14O5	286.08412	126381-84-8	knapsack	NA	NA
+FL1CRTNS0004	Licochalcone B	C16H14O5	286.08412	58749-23-8	knapsack	NA	NA
+FL1CUNNS0001	Linderone	C16H14O5	286.08412	1782-79-2	knapsack	NA	NA
+FL1D1CNS0003	2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone	C16H14O5	286.08412	-	knapsack	NA	NA
+FL1DA9NM0001	3'-Formyl-2',4',6'-trihydroxydihydrochalcone	C16H14O5	286.08412	135383-81-2	knapsack	NA	NA
+FL2F9ANS0001	5,6-Dihydroxy-4'-methoxyflavanone	C16H14O5	286.08412	123067-26-5	knapsack	NA	NA
+FL2FA8NS0006	Dihydroechioidinin;5,2'-Dihydroxy-7-methoxyflavanone	C16H14O5	286.08412	62346-19-4	knapsack	NA	NA
+FL2FAANM0001	Poriol	C16H14O5	286.08412	14348-16-4	knapsack	NA	NA
+FL2FAANM0003	3-Methylnaringenin	C16H14O5	286.08412	132147-69-4	knapsack	NA	NA
+FL2FABNS0001	Isosakuranetin	C16H14O5	286.08412	480-43-3	knapsack	NA	NA
+FL2FBANS0001	Naringenin 5-methyl ether	C16H14O5	286.08412	61775-19-7	knapsack	NA	NA
+FL2FCANS0001	Sakuranetin	C16H14O5	286.08412	2957-21-3	knapsack	NA	NA
+FL2FE9NS0002	Dihydrooroxylin A;5,7-Dihydroxy-6-methoxyflavanone;	C16H14O5	286.08412	18956-18-8	knapsack	NA	NA
+FL2FF9NS0005	Dihydrowogonin	C16H14O5	286.08412	4431-41-8	knapsack	NA	NA
+FL2FF9NS0007	5,8-Dihydroxy-7-methoxyflavanone	C16H14O5	286.08412	110065-74-2	knapsack	NA	NA
+FL4D29NS0001	3,7-Dihydroxy-6-methoxyflavanone	C16H14O5	286.08412	34050-66-3	knapsack	NA	NA
+FL4DA9NM0001	3,5,7-Trihydroxy-6-methylflavanone	C16H14O5	286.08412	-	knapsack	NA	NA
+FL4DA9NS0002	Pinobanksin 3-methyl ether	C16H14O5	286.08412	129843-35-5	knapsack	NA	NA
+FL4DA9NS0003	Pinobanksin 5-methyl ether	C16H14O5	286.08412	119309-36-3	knapsack	NA	NA
+FL4DA9NS0004	Alpinone	C16H14O5	286.08412	480-13-7	knapsack	NA	NA
+FL63PTNS0001	Peltogynan	C16H14O5	286.08412	53802-75-8	knapsack	NA	NA
+FLIB1CNS0001	3'-Hydroxydihydroformononetin	C16H14O5	286.08412	67492-31-3	knapsack	NA	NA
+FLIB1LNS0002	Vestitone;7,2'-Dihydroxy-4'-methoxyisoflavanone	C16H14O5	286.08412	66211-83-4	knapsack	NA	NA
+FLIBABNS0001	Dihydrobiochanin A	C16H14O5	286.08412	66152-07-6	knapsack	NA	NA
+FLICQUNS0002	Claussequinone;7-Hydroxy-4'-methoxyisoflavanquinone	C16H14O5	286.08412	35878-39-8	knapsack	NA	NA
+FLICWXNS0003	Sepiol;7,2',3'-Trihydroxy-4'-methoxyisoflavene	C16H14O5	286.08412	60434-16-4	knapsack	NA	NA
+FLICWXNS0004	Haginin C;7,2',4'-Trihydroxy-3'-methoxyisoflavene	C16H14O5	286.08412	79852-14-5	knapsack	NA	NA
+FLID1CNS0002	(-)-Nissolin	C16H14O5	286.08412	73340-42-8	knapsack	NA	NA
+FLID1CNS0003	Vesticarpan;3,10-Dihydroxy-9-methoxypterocarpan	C16H14O5	286.08412	69853-46-9	knapsack	NA	NA
+FLID1CNS0006	Kushenin;3,9-Dihydroxy-8-methoxypterocarpan	C16H14O5	286.08412	99217-66-0	knapsack	NA	NA
+FLID1CNS0007	(6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan	C16H14O5	286.08412	108335-33-7	knapsack	NA	NA
+FLID1LNS0003	Nissicarpin;3,7-Dihydroxy-9-methoxypterocarpan	C16H14O5	286.08412	89647-68-7	knapsack	NA	NA
+FLID3ANS0003	4-Hydroxymedicarpin	C16H14O5	286.08412	53950-54-2	knapsack	NA	NA
+FLID3ANS0006	Melilotocarpan B	C16H14O5	286.08412	83013-83-6	knapsack	NA	NA
+FLIDCANS0001	Desmocarpin;1,9-Dihydroxy-3-methoxypterocarpan	C16H14O5	286.08412	92358-41-3	knapsack	NA	NA
+FLIDHXNS0006	6a-Hydroxymedicarpin;3,6a-Dihydroxy-9-methoxypterocarpan	C16H14O5	286.08412	61135-92-0	knapsack	NA	NA
+FLIDHXNS0007	6a-Hydroxyisomedicarpin;6a,9-Dihydroxy-3-methoxypterocarpan	C16H14O5	286.08412	61135-93-1	knapsack	NA	NA
+FLII1CNS0001	Sainfuran	C16H14O5	286.08412	90664-32-7	knapsack	NA	NA
+FLII1CNS0004	2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran	C16H14O5	286.08412	67492-33-5	knapsack	NA	NA
+FLII3ANS0001	Pterofuran;6-Hydroxy-2-(3-hydroxy-2,4-dimethoxyphenyl)benzofuran	C16H14O5	286.08412	3784-75-6	knapsack	NA	NA
+FLII3ANS0002	Isopterofuran;6-Hydroxy-2-(4-hydroxy-2,3-dimethoxyphenyl)benzofuran	C16H14O5	286.08412	74048-95-6	knapsack	NA	NA
+FLNB2CNS0001	Brazilin	C16H14O5	286.08412	474-07-7	knapsack	NA	NA
+MJ023311	1,2,3-Trihydroxyxanthone; 1,2,3-Tri-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023312	1,2,7-Trihydroxyxanthone; Tri-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023313	1,2,8-Trihydroxyxanthone; Tri-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023314	1,3,5-Trihydroxyxanthone; Tri-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023315	1,3,6-Trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023316	1,3,9-Trihydroxypterocarpan, 3-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023317	1,6,7-Trihydroxyxanthone; Tri-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023318	1-(3-Formyl-2,4,6-trihydroxyphenyl)-3-phenyl-1-propanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023319	1-Phenyl-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023320	2',3',4',7-Tetrahydroxyisoflavene; 3'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023321	2',3',4',7-Tetrahydroxyisoflavene; 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023322	2',3',4,4'-Tetrahydroxychalcone, 3'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023323	2',3,4,4'-Tetrahydroxychalcone; 2'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023324	2',3,4,4'-Tetrahydroxychalcone; 3-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023325	2',3,4,4'-Tetrahydroxychalcone; 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023326	2',3,4,4'-Tetrahydroxychalcone; 4-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023327	2',3,4,4'-Tetrahydroxydihydrochalcone; 3,4-Methylene ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023328	2',4',5',7-Tetrahydroxyisoflavan, 4',5'-Methylene ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023329	2',4',5',7-Tetrahydroxyisoflavene; 2'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023330	2',4',7-Trihydroxyisoflavanone, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023331	2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023332	2',4,4',6'-Tetrahydroxychalcone; 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023333	2',4,4',6'-Tetrahydroxychalcone; 4-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023334	2',5,7-Trihydroxyflavanone, 5-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023335	2',5,7-Trihydroxyflavanone, 7-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023336	2,3,4,4'-Tetrahydroxychalcone; 2-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023337	2,3,4,6,7-Phenanthrenepentol; 2,3-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023338	2,3,4,6,7-Phenanthrenepentol; 2,4-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023339	2,3,4,6,7-Phenanthrenepentol; 4,6-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023340	2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 4',6-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023341	2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023342	2-(3,5-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 5,6-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023343	2-Hydroxy-6-(2,4-pentadiynyl)benzoic acid; Me ether, Me ester, 1'-acetoxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023344	3',4',6-Trihydroxyflavanone, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023345	3',4',7-Trihydroxyflavanone, 3'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023346	3',4',7-Trihydroxyisoflavanone, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023347	3',5,7-Trihydroxyflavanone, 3'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023348	3,4,9-Trihydroxypterocarpan; 3-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023349	3,4,9-Trihydroxypterocarpan; 9-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023350	3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023351	3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one, 7-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023352	3,5,7-Trihydroxy-6-methylflavanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023353	3,5,7-Trihydroxyflavanone, 3-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023354	3,5,7-Trihydroxyflavanone, 5-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023355	3,5,7-Trihydroxyflavanone, 7-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023356	3,6,7-Trihydroxyflavanone, 6-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023357	3,6a,9-Trihydroxypterocarpan; 3-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023358	3,6a,9-Trihydroxypterocarpan; 9-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023359	3,7,9-Trihydroxypterocarpan, 9-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023360	3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; 7-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023361	3,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023362	3,8,9-Trihydroxypterocarpan; 8-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023363	3,8,9-Trihydroxypterocarpan; 9-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023364	3,9,10-Trihydroxypterocarpan, 10-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023365	3,9,10-Trihydroxypterocarpan, 9-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023366	3-(2-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-2-propen-1-one, 2'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023367	3-(3,4-Dihydroxybenzyl)-5-hydroxy-4-chromanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023368	3-(3,4-Dihydroxybenzyl)-7-hydroxy-4-chromanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023369	3-Hydroxydehydroiso-?-lapachone, 6-Methoxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023370	3-Hydroxydehydroiso-?-lapachone; 5-Methoxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023371	4',5,6-Trihydroxyflavanone, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023372	4',5,7-Trihydroxy-3-methylflavanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023373	4',5,7-Trihydroxy-6-methylflavanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023374	4',5,7-Trihydroxy-8-methylflavanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023375	4',5,7-Trihydroxyflavanone, 5-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023376	4',5,7-Trihydroxyisoflavanone, 4'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023377	4',5-Dihydroxy-7-methoxyflavanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023378	4',7,8-Trihydroxyflavanone, 8-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023379	4,10-Dihydro-9-hydroxy-1-methyl-10-oxo-3H-naphtho[2,3-c]pyran-3-acetic acid 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023380	4,5:6,7-Diepoxy-2-hexadecene-8,10,12-triyne-1,14-diol, 1-Ac 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023381	4,6-Dihydroxy-3-(4-hydroxybenzyl)-3-methyl-2(3H)-benzofuranone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023382	4-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)benzofuran 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023383	5,6,7-Trihydroxyflavanone, 6-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023384	5,6,7-Trihydroxyflavanone, 7-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023385	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 6,8-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023386	5,7,8-Trihydroxyflavanone, 7-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023387	5,7,8-Trihydroxyflavanone, 8-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023388	5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023389	5,7-Dihydroxy-4'-methoxyflavanone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023390	5-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-6-methoxybenzofuran 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023391	6-Hydroxy-2-(2,3,4-trihydroxyphenyl)benzofuran; 2',3'-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023392	6-Hydroxy-2-(2,3,4-trihydroxyphenyl)benzofuran; 2',4'-Di-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023393	7-Hydroxy-2-methylteretifolin A 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023394	8-Methyltoralactone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023395	Agrostophyllin; 5-Hydroxy, 9,10-dihydro, O2-de-Me(1) 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023396	Agrostophyllin; 5-Hydroxy, 9,10-dihydro, O2-de-Me(2) 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023397	Asperxanthone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023398	Brazilin 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023399	Cepacin B 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023400	Claussequinone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023401	Clavilactone C; 13-Deoxy, 1,4-quinone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023402	Dehydroiso-?-lapachone, 5-Hydroxy, 7-methoxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023403	Frutescin; O-De-Me, 1'-acetoxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023404	Guacetisal 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023405	Guaimesal 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023406	Heraclenin 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023407	Herbarin; 3-Deoxy, 3,4-didehydro 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023408	Imperatorin; 4'-Hydroxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023409	Licodione; 2'-Me ether 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023410	Linderone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023411	Moracin A 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023412	Moracin B 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023413	Oxypeucedanin 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023414	Pabularinone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023415	Pabulenol 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023416	Phyllodulcin 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023417	Pubeschin 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023418	Quinquangulin 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023419	Sabilactone 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023420	Xanthotoxol; O-(2-Hydroxy-3-methyl-3-butenyl) 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MJ023421	?-Lapachone; 4-Oxo, 9-methoxy 	C16H14O5	286.084123	NA	MeJP	NA	NA
+MetaCyc02542	vestitone []	C16H14O5	286.084124	66211-83-4	metacyc	NA	NA
+MetaCyc02543	dihydrobiochanin-A []	C16H14O5	286.084124	66152-07-6	metacyc	NA	NA
+MetaCyc02544	ponciretin [4'-methoxy-5,7-dihydroxy flavanone;]	C16H14O5	286.084124	NA	metacyc	NA	NA
+MetaCyc02545	sakuranetin [4',5-dihydroxy-7-methoxyflavanone;]	C16H14O5	286.084124	NA	metacyc	NA	NA
+MetaCyc02546	2'-O-methyllicodione [2'-O-methyllicodione;]	C16H14O5	286.084124	NA	metacyc	NA	NA
+MetaCyc02547	2,7-dihydroxy-4'-methoxyisoflavanone []	C16H14O5	286.084124	NA	metacyc	NA	NA
+MetaCyc02548	(-)-vestitone [(3R)-vestitone;]	C16H14O5	286.084124	NA	metacyc	NA	NA
+JH198	isosakuranetin [M+H]+	C16H14O5	286.0844	20.32	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH198	isosakuranetin [M+H]+	C16H14O5	286.0844	20.32	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH198	isosakuranetin [M+H]+	C16H14O5	286.0844	20.32	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH198	isosakuranetin [M+H]+	C16H14O5	286.0844	20.32	Inhousejuil11	NA	NA
+MJ023422	N-(1-Methyl-1H-indol-5-yl)-N'-(3-methyl-5-isothiazolyl)urea 	C14H14N4OS	286.088831	NA	MeJP	NA	NA
+CJpos0685	Phenylacetylglutamine [(M+Na)]+	C13H16N2NaO4	286.092375	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0685	Phenylacetylglutamine [(M+Na)]+	C13H16N2NaO4	286.092375	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc02549	N-Glucosylnicotinate []	C12H16N1O7	286.092677	NA	metacyc	NA	NA
+C03003	N-Glucosylnicotinate	C12H16NO7	286.0927	NA	KEGG	NA	NA
+MJ023423	2-(1-Bromoethyl)-2,5-dimethyl-6-(2,4-pentadienyl)tetrahydropyran 	C14H23BrO	286.093228	NA	MeJP	NA	NA
+MJ023424	4,8-Dihydroxy-?-carboline-1-carboxylic acid; Di-Me ether, Me ester 	C15H14N2O4	286.095356	NA	MeJP	NA	NA
+MJ023425	Vertilecanine A, Glycine amide 	C15H14N2O4	286.095356	NA	MeJP	NA	NA
+HMDB06408	4 hydroxy tolbutamide	C12H18N2O4S	286.09872	http://www.hmdb.ca/metabolites/HMDB06408	HMDB	NA	NA
+HMDB06408	4 hydroxy tolbutamide	C12H18N2O4S	286.09872	HMDB06408	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06408	4-Hydroxy tolbutamide	C12H18N2O4S	286.098724	NA	HMDB2010	NA	NA
+CJpos0686	N4-acetylcytidine [(M+H)]+ (13C)	C1013CH16N3O6	286.098875	C18rt(min)=4.51 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0686	N4-acetylcytidine [(M+H)]+ (13C)	C1013CH16N3O6	286.098875	C18rt(min)=4.51 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ023426	2-Hydroxy-9-phenyl-1H-phenalen-1-one; Me ether 	C20H14O2	286.099379	NA	MeJP	NA	NA
+C14852	Benzo[a]pyrene-7,8-diol	C20H14O2	286.0994	NA	KEGG	NA	NA
+MJ023427	Namirotene 	C17H18O2S	286.10275	NA	MeJP	NA	NA
+MJ023428	Salicin 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023429	2,4-Dimethyl-3-furancarboxylic acid; ?-L-Rhamnopyranosyl ester 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023430	2-Methyl-1,4-benzenediol; 1-O-?-D-Glucopyranoside 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023431	2-Methyl-1,4-benzenediol; 4-O-?-D-Glucopyranoside 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023432	4,6-Heptadiyne-1,3-diol; 1-O-?-D-Glucopyranoside 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023433	4-Hydroxybenzyl alcohol; 4-O-?-D-Allopyranoside 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023434	4-Hydroxybenzyl alcohol; 4-O-?-D-Glucopyranoside 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023435	5-Methyl-1,3-benzenediol; O-?-D-Glucopyranoside 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023436	Arbutin; 4'-Me ether 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023437	Isosalicin 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023438	Musacine B1 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MJ023439	Salicin 	C13H18O7	286.105252	NA	MeJP	NA	NA
+MetaCyc02550	salicin [salicoside;2-(hydroxymethyl)-phenyl-&beta;-D-glucopyranoside;D(-)-salicin;]	C13H18O7	286.105253	138-52-3	metacyc	NA	NA
+HMDB03546	Salicin	C13H18O7	286.105255	NA	HMDB2010	NA	NA
+HMDB03546	Salicin	C13H18O7	286.10526	http://www.hmdb.ca/metabolites/HMDB03546	HMDB	NA	NA
+HMDB03546	Salicin	C13H18O7	286.10526	HMDB03546	PFEM_hmdb_metabocards_official	NA	NA
+C01451	Salicin	C13H18O7	286.1053	NA	KEGG	NA	NA
+C16964	Gastrodin	C13H18O7	286.1053	NA	KEGG	NA	NA
+C17599	Methylarbutin	C13H18O7	286.1053	NA	KEGG	NA	NA
+MJ023440	Pyridoxal isonicotinoylhydrazone 	C14H14N4O3	286.10659	NA	MeJP	NA	NA
+PJ000171	MH 	C11H18N4O3S	286.11	NA	PeJP	NA	NA
+MJ023441	Eudistomin T 	C19H14N2O	286.110613	NA	MeJP	NA	NA
+MJ023442	2-Amino-3-phenyl-1-propanethiol, S-(Phenylcarbamoyl) 	C16H18N2OS	286.113983	NA	MeJP	NA	NA
+MJ023443	?-Methyl-5-(2-thienylmethoxy)-1H-indole-3-ethanamine 	C16H18N2OS	286.113983	NA	MeJP	NA	NA
+2755	peptide regulating the stomach mucosal membrane activity	GPGG	286.115	antibacterial	Inhouse_peptide	NA	peptide
+3458	Prolyl endopeptidase inhibitor	GPGG	286.115	ACE inhibitor	Inhouse_peptide	NA	peptide
+3462	NA	GPGG	286.115	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ023444	Metazide 	C13H14N6O2	286.117823	NA	MeJP	NA	NA
+C09646	7,3'-Dihydroxy-4'-methoxy-8-methylflavan	C17H18O4	286.1205	NA	KEGG	NA	NA
+C10526	(-)-Sativan	C17H18O4	286.1205	NA	KEGG	NA	NA
+C14294	Diphenolic acid	C17H18O4	286.1205	NA	KEGG	NA	NA
+FL1D1ANS0003	4-Hydroxy-2',4'-dimethoxydihydrochalcone	C17H18O4	286.1205	307500-80-7	knapsack	NA	NA
+FL1D98NS0001	4'-Hydroxy-2,6-dimethoxydihydrochalcone	C17H18O4	286.1205	-	knapsack	NA	NA
+FL1DA9NM0006	2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H	C17H18O4	286.1205	143502-00-5	knapsack	NA	NA
+FL1DA9NM0007	2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone	C17H18O4	286.1205	83247-38-5	knapsack	NA	NA
+FL1DA9NS0004	Dihydroflavokawin B	C17H18O4	286.1205	3791-76-2	knapsack	NA	NA
+FL1DRTNS0003	Loureirin A	C17H18O4	286.1205	119425-89-7	knapsack	NA	NA
+FL631ANM0001	Tupichinol A;(2R,3R)-3,4-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-2H-1-benzopyran-3-ol	C17H18O4	286.1205	497142-88-8	knapsack	NA	NA
+FL6F1CNM0001	7,3'-Dihydroxy-4'-methoxy-8-methylflavan	C17H18O4	286.1205	87733-81-1	knapsack	NA	NA
+FL6F1CNM0002	7,4'-Dihydroxy-3'-methoxy-8-methylflavan	C17H18O4	286.1205	84638-51-7	knapsack	NA	NA
+FL6F1CNS0004	4'-Hydroxy-7,3'-dimethoxyflavan	C17H18O4	286.1205	113236-00-3	knapsack	NA	NA
+FL6FBBNS0001	7-Hydroxy-5,4'-dimethoxyflavan	C17H18O4	286.1205	103461-94-5	knapsack	NA	NA
+FL6FCANM0001	5,4'-Dihydroxy-7'-methoxy-8-methylflavan	C17H18O4	286.1205	84638-52-8	knapsack	NA	NA
+FL6FDANS0001	4'-Hydroxy-5,7-dimethoxyflavan	C17H18O4	286.1205	103963-45-7	knapsack	NA	NA
+FLIC1LNS0002	(-)-Sativan	C17H18O4	286.1205	41743-86-6	knapsack	NA	NA
+FLIC1LNS0007	Isosativan;2'-Hydroxy-7,4'-dimethoxyisoflavan	C17H18O4	286.1205	60102-29-6	knapsack	NA	NA
+FLIC1LNS0008	Arvensan;4'-Hydroxy-7,2'-dimethoxyisoflavan	C17H18O4	286.1205	63631-41-4	knapsack	NA	NA
+FLIJ1ANS0002	2-O-Methylangolensin	C17H18O4	286.1205	58822-06-3	knapsack	NA	NA
+FLIJ1ANS0003	4-O-Methylangolensin	C17H18O4	286.1205	75946-85-9	knapsack	NA	NA
+FLNC28NS0001	Latifolin;(R)-5,2'-Dihydroxy-2,4-dimethoxydalbergiquinol	C17H18O4	286.1205	10154-42-4	knapsack	NA	NA
+FLNC29NS0001	(S)-5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol	C17H18O4	286.1205	36286-66-5	knapsack	NA	NA
+FLNC49NS0001	(R)-2,5-Dihydroxy-3,4-dimethoxydalbergiquinol;(R)-3,4Dimethoxydalbergionequinol	C17H18O4	286.1205	1857-06-3	knapsack	NA	NA
+MJ023445	1,5,11-Tridecatriene-7,9-diyne-3,4-diol, Di-Ac 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023446	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 4'-Me, 3'',4''-methylene ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023447	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 2',4'-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023448	1-(2,6-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 2',6'-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023449	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3',3'',4'-Tri-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023450	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3',5-di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023451	1-(4-Hydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 4'-Me, 4'',5''-methylene ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023452	2',4',7-Trihydroxyisoflavan; 2',4'-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023453	2',4',7-Trihydroxyisoflavan; 2',7-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023454	2',4',7-Trihydroxyisoflavan; 4',7-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023455	2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, 3,4,7-tri-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023456	2-Methylconospermone 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023457	3',4',7-Trihydroxy-8-methylflavan, 3'-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023458	3',4',7-Trihydroxyflavan, 3',7-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023459	3',4',7-Trihydroxyhomoisoflavan; 4'-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023460	3,5,11-Tridecatriene-7,9-diyne-1,2-diol, Di-Ac 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023461	3,9-Dihydroxy-1,3,5,7,9-cadinapentaen-14,2-olide; Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023462	3-(2,4-Dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-propanone; 2,4-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023463	3-Phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4'-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023464	3-Phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 6'-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023465	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4'-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023466	4',5,7-Trihydroxy-8-methylflavan, 7-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023467	4',5,7-Trihydroxyflavan, 4',7-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023468	4',5,7-Trihydroxyflavan, 5,7-Di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023469	4',7,8-Trihydroxyhomoisoflavan; 8-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023470	7-Hydroxy-2H-1-benzopyran-2-one; O-(6-Methyl-4-oxo-5-heptenyl) 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023471	8-Hydroxy-1(10),2,4,11(13)-guaiatetraen-12,6-olide, Ac 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023472	8-Methyl-1,2,5,7-phenanthrenetetrol; 9,10-Dihydro, 1,5-di-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023473	Agatharesinol 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023474	Alloimperatorin; 2',3'-Dihydro, Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023475	Angolensin, 2-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023476	Angolensin, 4-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023477	Anisocoumarin A 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023478	Cryptocaryalactone 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023479	Dalbergiphenol, 2-O-De-Me, 3-methoxy 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023480	Dalbergiphenol, 3'-Hydroxy 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023481	Kurzilactone 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023482	Latifolin 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023483	Mollugin; 3,4-Dihydro 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023484	Procromil 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023485	Pygmaeoherin 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023486	Trypethelone; 7-Me ether 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023487	Villostyrene, 2'-O-De-Me 	C17H18O4	286.120509	NA	MeJP	NA	NA
+MJ023488	Yateresinol 	C17H18O4	286.120509	NA	MeJP	NA	NA
+C14251	1,3-Diphenyltetramethyldisiloxane	C16H22OSi2	286.1209	NA	KEGG	NA	NA
+MJ023489	Zolazepam 	C15H15FN4O	286.122989	NA	MeJP	NA	NA
+PJ000172	GPN 	C11H18N4O5	286.1277	NA	PeJP	NA	NA
+MJ023490	Pyronopaline 	C11H18N4O5	286.127719	NA	MeJP	NA	NA
+C10610	Pilosine	C16H18N2O3	286.1317	NA	KEGG	NA	NA
+C11697	Levcromakalim	C16H18N2O3	286.1317	NA	KEGG	NA	NA
+C11819	Cromakalim	C16H18N2O3	286.1317	NA	KEGG	NA	NA
+MJ023491	Cromakalim 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023492	Epiisopiloturine 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023493	Gentiana Alkaloid VI 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023494	Picrasidine B 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023495	Pilosine 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023496	Quinolactacin A; 3-Hydroxy 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023497	Spinamycin 	C16H18N2O3	286.131742	NA	MeJP	NA	NA
+MJ023498	Boronolide; 1',2'-Di-de-Ac 	C14H22O6	286.141638	NA	MeJP	NA	NA
+MJ023499	Colletodiol; 11,12-Diepimer, 9,10-dihydro 	C14H22O6	286.141638	NA	MeJP	NA	NA
+MJ023500	Colletodiol; 9,10-Dihydro 	C14H22O6	286.141638	NA	MeJP	NA	NA
+MJ023501	Spicifernin 	C14H22O6	286.141638	NA	MeJP	NA	NA
+MJ023502	Komaroine 	C20H18N2	286.146998	NA	MeJP	NA	NA
+MJ023503	Thenalidine 	C17H22N2S	286.150369	NA	MeJP	NA	NA
+3653	NA	DKPTL	286.15195	MH2+	Inhouse_peptide	NA	peptide
+C07624	Abacavir	C14H18N6O	286.1542	NA	KEGG	NA	NA
+MJ023504	Abacavir 	C14H18N6O	286.154209	NA	MeJP	NA	NA
+MJ023505	Butazopyridine 	C14H18N6O	286.154209	NA	MeJP	NA	NA
+HMDB00335	16a-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00335	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00343	2-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00343	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00313	16b-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00313	HMDB	NA	NA
+HMDB00335	16a-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00335	HMDB	NA	NA
+HMDB00343	2-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00343	HMDB	NA	NA
+HMDB00406	16-Ketoestradiol	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00406	HMDB	NA	NA
+HMDB00335	16a-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00335	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00343	2-Hydroxyestrone	C18H22O3	286.15689	http://www.hmdb.ca/metabolites/HMDB00343	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00313	16b-Hydroxyestrone	C18H22O3	286.15689	HMDB00313	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00335	16a-Hydroxyestrone	C18H22O3	286.15689	HMDB00335	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00343	2-Hydroxyestrone	C18H22O3	286.15689	HMDB00343	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00406	16-Ketoestradiol	C18H22O3	286.15689	HMDB00406	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00313	16b-Hydroxyestrone	C18H22O3	286.156891	NA	HMDB2010	NA	NA
+HMDB00335	16a-Hydroxyestrone	C18H22O3	286.156891	NA	HMDB2010	NA	NA
+HMDB00343	2-Hydroxyestrone	C18H22O3	286.156891	NA	HMDB2010	NA	NA
+HMDB00406	16-Ketoestradiol	C18H22O3	286.156891	NA	HMDB2010	NA	NA
+HMDB05895	4-Hydroxyestrone	C18H22O3	286.156891	NA	HMDB2010	NA	NA
+MJ023506	1-Hydroxy-6,12-tetradecadiene-8,10-diyn-3-one, 2-Methylpropanoyl 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023507	10-(4-Hydroxyphenyl)-3,5,7-decatrien-1-ol, 1-Ac 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023508	12-Hydroxy-13-methyl-8,11,13-podocarpatrien-7-one; 3-Oxo 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023509	13,14-Dihydroxy-1,8,11,13-podocarpatetraen-3-one; 13-Me ether 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023510	13-Hydroxy-12-methyl-8,11,13-podocarpatriene-3,7-dione 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023511	14,16-Epoxy-12,20-dinor-11,12-seco-5,7,9-abietatrien-11,14-olide 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023512	17-Hydroxy-9,11,13,15-octadecatetraynoic acid, 15,16-Dihydro(E-) 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023513	2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-carboxylic acid; Me ester 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023514	3,18-Dihydroxyestra-1,3,5(10)-trien-17-one 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023515	3,20-Epoxy-13-methyl-6,8,11,13-podocarpatetraene-3,12-diol 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023516	3,4,4'-Trihydroxylignan 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023517	3,6-Dihydroxy-2-(1,3,5-undecatrienyl)benzaldehyde 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023518	3,6-Dihydroxyestra-1,3,5(10)-trien-17-one 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023519	3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid, Me ester 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023520	4-(3,7-Dimethyl-2,6-octadienyl)-5-hydroxy-2(3H)-benzofuranone 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023521	5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023522	6-Acetyl-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran; ?1',2'-Isomer, 3'-hydroxy 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023523	Arohynapene A 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023524	Cacalol; Propanoyl 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023525	Cryptoacetalide 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023526	Cyclopiloselloidone 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023527	Gaultheronoterpene 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023528	Methallenestril 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023529	Pterosin B, O-(Z-2-Butenoyl) 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023530	Tanzawaic acid C; 1-Deoxy, 6-hydroxy, 1,2,4a,8a-tetradehydro 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023531	Wigandol 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023532	16alpha-Hydroxyestrone 	C18H22O3	286.156894	NA	MeJP	NA	NA
+MJ023533	2-Hydroxyestrone 	C18H22O3	286.156894	NA	MeJP	NA	NA
+C05298	2-Hydroxyestrone	C18H22O3	286.1569	NA	KEGG	NA	NA
+C05300	16alpha-Hydroxyestrone	C18H22O3	286.1569	NA	KEGG	NA	NA
+C07621	Methallenestril	C18H22O3	286.1569	NA	KEGG	NA	NA
+C14383	16-Ketoestradiol	C18H22O3	286.1569	NA	KEGG	NA	NA
+C14496	Estrololactone	C18H22O3	286.1569	NA	KEGG	NA	NA
+C12261	2,3,4-Trioxycyclopentanone	C14H26O4Si	286.16	NA	KEGG	NA	NA
+MJ023534	1-Mercapto-5-undecen-3-ol; O,S-Di-Ac 	C15H26O3S	286.160265	NA	MeJP	NA	NA
+MJ023535	1-Aminopyrrolizidine, N1-(4-Methoxy-E-cinnamoyl) 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023536	1-Aminopyrrolizidine, N1-(4-Methoxy-Z-cinnamoyl) 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023537	4-(3-Methyl-2-butenyl)tryptophan, N?-Me 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023538	4-Amino-1-naphthalenecarboxylic acid; 2-(Diethylaminoethyl) ester 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023539	Antibiotic FL 657C 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023540	Fenpipalone 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023541	Huperzinine; 16-Hydroxy 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023542	N-[(2,3,4,9-Tetrahydro-6-methoxy-9-methyl-1H-carbazol-4-yl)methyl]acetamide 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023543	Piriferine 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023544	Pseudophrynaminol, 4'-Carboxylic acid, Me ester 	C17H22N2O2	286.168127	NA	MeJP	NA	NA
+MJ023545	Linogliride 	C16H22N4O	286.179361	NA	MeJP	NA	NA
+CJpos0687	Stachydrine (Proline betaine) [(2M+H)]+	C14H27N2O4	286.188675	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0687	Stachydrine (Proline betaine) [(2M+H)]+	C14H27N2O4	286.188675	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11333	N-Acetyl-leucyl-leucine	C14H26N2O4	286.1893	NA	KEGG	NA	NA
+C11334	Gentamicin sulfate	C19H37N5O7	286.1893	NA	KEGG	NA	NA
+HMDB00053	Androstenedione	C19H26O2	286.193268	NA	HMDB2010	NA	NA
+HMDB00053	Androstenedione	C19H26O2	286.19327	http://www.hmdb.ca/metabolites/HMDB00053	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00053	Androstenedione	C19H26O2	286.19327	http://www.hmdb.ca/metabolites/HMDB00053	HMDB	NA	NA
+HMDB00053	Androstenedione	C19H26O2	286.19327	http://www.hmdb.ca/metabolites/HMDB00053	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00053	Androstenedione	C19H26O2	286.19327	HMDB00053	PFEM_hmdb_metabocards_official	NA	NA
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	HMDB	NA	NA
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	Inhouse_PFEM	NA	NA
+MJ023546	11-Hydroxy-20-nor-8,15-isopimaradien-7-one; 11?-form, 11-Ketone 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023547	12-Hydroxy-13-methyl-8,11,13-podocarpatrien-7-one; Me ether 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023548	17-Hydroxyandrosta-1,4-dien-3-one; 17?-form 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023549	19-Nor-1,3,5(10),15-rosatetraene-2,18-diol; ent-form 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023550	2,9-Heptadecadiene-4,6-diyn-1-ol, Ac 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023551	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023552	4-Hydroxy-18-nor-8,11,13-abietatrien-7-one 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023553	8,15-Heptadecadiene-11,13-diyn-1-ol; Ac 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023554	?1-Tetrahydrocannabidivarol 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023555	?7-Isotetrahydrocannabivarin 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023556	Acalycixeniolide B 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023557	Androst-4-ene-3,17-dione 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023558	Cannabicyclovarin 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023559	Cannabidivarin 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023560	Cannabivarichromene 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023561	Norbrachycoumarin 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MJ023562	Androst-4-ene-3,17-dione 	C19H26O2	286.19328	NA	MeJP	NA	NA
+MetaCyc02551	4-androstene-3,17-dione []	C19H26O2	286.19328	63-05-8	metacyc	NA	NA
+MetaCyc02552	androst-4-ene-3,17-dione [androstenedione;]	C19H26O2	286.19328	NA	metacyc	NA	NA
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR097	Androstenedione	C19H26O2	286.19328	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR097	Androstenedione	C19H26O2	286.1933	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR097	Androstenedione	C19H26O2	286.1933	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR097	Androstenedione	C19H26O2	286.1933	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR097	Androstenedione	C19H26O2	286.1933	Wishlist	Inhousejuil11	NA	NA
+C00280	Androstenedione	C19H26O2	286.1933	NA	KEGG	NA	NA
+C14483	17alpha-Methylestradiol	C19H26O2	286.1933	NA	KEGG	NA	NA
+C14502	Boldenone	C19H26O2	286.1933	NA	KEGG	NA	NA
+C15293	17beta-Hydroxyandrosta-4,9(11)-dien-3-one	C19H26O2	286.1933	NA	KEGG	NA	NA
+C15315	1-Methylestra-1,3,5(10)-triene-3,17beta-diol	C19H26O2	286.1933	NA	KEGG	NA	NA
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR395	Androstenedione F1	NA	286.194775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR395	Androstenedione F1	NA	286.194775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR395	Androstenedione F1	NA	286.194775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR395	Androstenedione F1	NA	286.194775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR395	Androstenedione F1	F1	286.194775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0688	Octenoylcarnitine [(M+H)]+ (13C)	C1413CH28NO4	286.196775	C18rt(min)=7.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0688	Octenoylcarnitine [(M+H)]+ (13C)	C1413CH28NO4	286.196775	C18rt(min)=7.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ023563	5-(12-Cyano-6-dodecenyl)-2-pyrrolecarboxaldehyde 	C18H26N2O	286.204513	NA	MeJP	NA	NA
+MJ023564	Benzastatin A; Demethoxy 	C18H26N2O	286.204513	NA	MeJP	NA	NA
+MJ023565	Fastigiatine; N-De-Me 	C18H26N2O	286.204513	NA	MeJP	NA	NA
+C14987	2,3-Dihydroxycyclopentaneundecanoic acid	C16H30O4	286.2144	NA	KEGG	NA	NA
+MJ023566	10,16-Dihydroxyhexadecanoic acid; 10-Ketone 	C16H30O4	286.214409	NA	MeJP	NA	NA
+MJ023567	4,6-Diethyl-3,6-dihydroxydecanoic acid; 4,11-Didehydro, Et ester 	C16H30O4	286.214409	NA	MeJP	NA	NA
+MJ023568	Hexadecanedioic acid 	C16H30O4	286.214409	NA	MeJP	NA	NA
+MJ023569	Tetrahydro-5-(1-hydroxyheptyl)heptanoic acid 	C16H30O4	286.214409	NA	MeJP	NA	NA
+HMDB00672	Hexadecanedioic acid	C16H30O4	286.214417	NA	HMDB2010	NA	NA
+HMDB00672	Hexadecanedioic acid	C16H30O4	286.21442	http://www.hmdb.ca/metabolites/HMDB00672	HMDB	NA	NA
+HMDB00672	Hexadecanedioic acid	C16H30O4	286.21442	HMDB00672	PFEM_hmdb_metabocards_official	NA	NA
+EUR085	Retinol	C20H30O	286.229665	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR085	Retinol	C20H30O	286.229665	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR085	Retinol	C20H30O	286.229665	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR085	Retinol	C20H30O	286.229665	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR085	Retinol	C20H30O	286.229665	Wishlist	HMDB	NA	NA
+EUR085	Retinol	C20H30O	286.229665	Wishlist	Inhouse_PFEM	NA	NA
+MJ023570	1(10),15-Rosadien-2-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023571	1(15),7,9-Dolastatrien-14-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023572	1(15),8,13-Dolastatrien-4-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023573	1,3,7,11-Cembratetraen-20-oic acid, 20-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023574	12,15-Epoxy-8(17),12,14-labdatriene; ent-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023575	13(15),16,18-Sphenolobatrien-4-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023576	13(16),14-Spongiadiene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023577	13,17-Epoxy-5,7,14-labdatriene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023578	15,16-Epoxy-3,13(16),14-clerodatriene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023579	15,16-Epoxy-7,13(16),14-labdatriene; ent-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023580	15,16-Epoxy-8(17),13(16),14-labdatriene; ent-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023581	15,16-Epoxy-9(11)-parguerene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023582	15-Beyeren-1-ol, 1-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023583	15-Beyeren-19-ol; ent-form, Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023584	15-Beyeren-3-ol, 3-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023585	15-Beyeren-7-one; ent-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023586	15-Kauren-19-al; ent-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023587	16-Hellicallenal 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023588	16-Kauren-15-ol, 15-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023589	16-Kauren-18-ol; ent-form, 18-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023590	16-Kauren-19-ol; ent-form, 19-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023591	18,19-Epoxy-1(19),2(18),6,13-xenicatetraene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023592	19-Trachylobanoic acid; ent-form, 19-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023593	2(4),13-Valparoladien-3-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023594	2,12-Cyathadien-1-ol, Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023595	2,16-Epoxy-1(15),3,7,11-cembratetraene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023596	2,4,7,11-Cembratetraen-10-ol, 10-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023597	2,7-Fusicoccadien-4-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023598	3,13(16),14-Clerodatrien-17-ol; ent-form, 17-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023599	3,15-Valparadien-2-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023600	3,4-Epoxy-13(15),16-sphenolobadien-18-ol, 18-Deoxy, 18,19-didehydro 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023601	3,7,11,15(17)-Cembratetraen-16-ol, 16-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023602	3,7,11,15-Cembratetraen-13-ol, 13-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023603	3,7,11,15-Cembratetraen-14-ol, 14-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023604	3,7,12(18)-Dolabellatrien-13-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023605	3,7,12(18)-Dolabellatrien-2-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023606	3,7,18-Dolabellatrien-14-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023607	4,8,18-Dolabellatrien-16-ol, 16-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023608	4-(3-Hydroxy-3-methyl-4-pentenyl)-1,1,5,6-tetramethyltetralin 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023609	7,12,14-Labdatrien-17-ol, Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023610	7,13-Abietadien-18-ol; 18-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023611	7,13-Abietadien-3-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023612	7,15-Isopimaradien-18-ol; 18-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023613	8(14),15-Isopimaradien-18-ol; 18-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023614	8(14),15-Isopimaradien-3-ol, 3-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023615	8(14),15-Isopimaradien-7-ol; 7?-form, 7-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023616	8(14),15-Pimaradien-18-al 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023617	8(17),12,14-Labdatrien-18-ol, 18-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023618	8(17),12,14-Labdatrien-3-ol, 3-Ketone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023619	8(17),13(16),14-Labdatrien-19-oic acid; 19-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023620	8(4?10)-Abeo-4,15,16-spatatrien-13-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023621	8,11,13-Abietatrien-12-ol; 5?-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023622	8,11,13-Abietatrien-15-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023623	8,11,13-Abietatrien-18-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023624	8,11,13-Abietatrien-19-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023625	8,11,13-Abietatrien-2-ol; 2?-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023626	8,11,13-Abietatrien-3-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023627	8,11,13-Abietatrien-6-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023628	8,11,13-Abietatrien-7-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023629	8,11,13-Cleistanthatrien-17-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023630	8,11,13-Cleistanthatrien-19-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023631	8,11,13-Cleistanthatrien-20-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023632	8,11,13-Cleistanthatrien-7-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023633	8,11,13-Icetexatriene-10,12-diol; 10?-form, 12-Deoxy 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023634	8,11,13-Totaratrien-13-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023635	8,13-Abietadien-18-oic acid; 18-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023636	8,13-Abietadien-19-oic acid; 19-Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023637	8,15-Isopimaradien-7-one 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023638	9(11),16-Kauradien-12-ol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023639	9(11)-Pargueren-16-al; ent-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023640	9,10-Epoxy-9,10-seco-8,11,13-abietatriene; 10?-form 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023641	9,13-Epoxy-6,8(17),14-labdatriene 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023642	Ambliofuran 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023643	Ambliol A; 5-Deoxy, 5,18-didehydro 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023644	Cacospongin A 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023645	Dictyoxide A 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023646	Fusoxysporone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023647	Mikanifuran 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023648	Retinol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023649	Sempervirol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023650	Strobol; Aldehyde 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023651	Tricyclodictyofuran A; 9-Deoxy 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023652	Valparolone 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023653	Vouacapane 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023654	p-Menth-1-en-4-ol, (5-Isopropyl-2-methylphenyl) ether 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023655	11-cis-Retinol 	C20H30O	286.229665	NA	MeJP	NA	NA
+MJ023656	Retinol 	C20H30O	286.229665	NA	MeJP	NA	NA
+EUR085	Retinol	C20H30O	286.229665	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR085	Retinol	C20H30O	286.229665	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02553	retinol [trans-retinol;retinol;all-trans-Retinol;Vitamin A;Vitamin A1;]	C20H30O1	286.229666	11103-57-4	metacyc	NA	NA
+MetaCyc02554	ent-kaur-16-en-19-al []	C20H30O1	286.229666	NA	metacyc	NA	NA
+MetaCyc02555	11-cis-retinol [cis-retinol;]	C20H30O1	286.229666	NA	metacyc	NA	NA
+HMDB00305	Vitamin A	C20H30O	286.229675	NA	HMDB2010	NA	NA
+HMDB06216	11-cis-Retinol	C20H30O	286.229675	NA	HMDB2010	NA	NA
+HMDB06217	9-cis-Retinol	C20H30O	286.229675	NA	HMDB2010	NA	NA
+HMDB06221	13-cis Retinol	C20H30O	286.229675	NA	HMDB2010	NA	NA
+HMDB00305	Vitamin A	C20H30O	286.22968	http://www.hmdb.ca/metabolites/HMDB00305	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00305	Vitamin A	C20H30O	286.22968	http://www.hmdb.ca/metabolites/HMDB00305	HMDB	NA	NA
+HMDB06216	11-cis-Retinol	C20H30O	286.22968	http://www.hmdb.ca/metabolites/HMDB06216	HMDB	NA	NA
+HMDB06217	9-cis-retinol	C20H30O	286.22968	http://www.hmdb.ca/metabolites/HMDB06217	HMDB	NA	NA
+HMDB06221	13-cis Retinol	C20H30O	286.22968	http://www.hmdb.ca/metabolites/HMDB06221	HMDB	NA	NA
+HMDB00305	Vitamin A	C20H30O	286.22968	http://www.hmdb.ca/metabolites/HMDB00305	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00305	Vitamin A	C20H30O	286.22968	HMDB00305	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06216	11-cis-Retinol	C20H30O	286.22968	HMDB06216	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06217	9-cis-retinol	C20H30O	286.22968	HMDB06217	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06221	13-cis Retinol	C20H30O	286.22968	HMDB06221	PFEM_hmdb_metabocards_official	NA	NA
+EUR085	Retinol	C20H30O	286.2297	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR085	Retinol	C20H30O	286.2297	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR085	Retinol	C20H30O	286.2297	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR085	Retinol	C20H30O	286.2297	Wishlist	Inhousejuil11	NA	NA
+C00473	Retinol	C20H30O	286.2297	NA	KEGG	NA	NA
+C00899	11-cis-Retinol	C20H30O	286.2297	NA	KEGG	NA	NA
+C09092	Ferruginol	C20H30O	286.2297	NA	KEGG	NA	NA
+C11873	Kaur-16-en-18-al	C20H30O	286.2297	NA	KEGG	NA	NA
+C11885	Neoabietal	C20H30O	286.2297	NA	KEGG	NA	NA
+C11886	Levopimarinal	C20H30O	286.2297	NA	KEGG	NA	NA
+C11887	Abietal	C20H30O	286.2297	NA	KEGG	NA	NA
+C16682	9-cis-Retinol	C20H30O	286.2297	NA	KEGG	NA	NA
+C17276	Retinol-(cellular-retinol-binding-protein)	C20H30O	286.2297	NA	KEGG	NA	NA
+HMDB02172	N1,N12-Diacetylspermine	C14H30N4O2	286.236877	NA	HMDB2010	NA	NA
+HMDB02172	N1,N12-Diacetylspermine	C14H30N4O2	286.23688	http://www.hmdb.ca/metabolites/HMDB02172	HMDB	NA	NA
+HMDB02172	N1,N12-Diacetylspermine	C14H30N4O2	286.23688	HMDB02172	PFEM_hmdb_metabocards_official	NA	NA
+C03413	N1,N12-Diacetylspermine	C14H30N4O2	286.2369	NA	KEGG	NA	NA
+MJ023657	Theonelladine A; 11,12-Didehydro 	C19H30N2	286.240898	NA	MeJP	NA	NA
+PFEM073F1	Retinol	F1	286.2489	NA	Inhouse_original	NA	NA
+MJ023658	14-Hydroxyhexadecanoic acid, Me ester 	C17H34O3	286.250794	NA	MeJP	NA	NA
+MJ023659	16-Heptadecene-1,2,4-triol 	C17H34O3	286.250794	NA	MeJP	NA	NA
+MJ023660	2-Hydroxyhexadecanoic acid, Me ether 	C17H34O3	286.250794	NA	MeJP	NA	NA
+C11849	3-Hydroxy-palmitic acid methyl ester	C17H34O3	286.2508	NA	KEGG	NA	NA
+C13947	2-Methoxyhexadecanoic acid	C17H34O3	286.2508	NA	KEGG	NA	NA
+MJ023661	Nitrosoxacin A 	C16H34N2O2	286.262028	NA	MeJP	NA	NA
+MJ023662	Nitrosoxacin B 	C16H34N2O2	286.262028	NA	MeJP	NA	NA
+MJ023663	1,6,9,12,15,18-Heneicosahexaene, 18,19-Dihydro 	C21H34	286.266051	NA	MeJP	NA	NA
+MJ023664	14-Methylene-1,3,5,10-prenylbisabolatetraene; 1,2-Dihydro 	C21H34	286.266051	NA	MeJP	NA	NA
+MJ023665	3,6,9,12,15-Heneicosapentaene 	C21H34	286.266051	NA	MeJP	NA	NA
+MJ023666	1,18-Octadecanediol 	C18H38O2	286.28718	NA	MeJP	NA	NA
+MJ023667	1,3-Octadecanediol 	C18H38O2	286.28718	NA	MeJP	NA	NA
+MJ023668	2,3-Octadecanediol 	C18H38O2	286.28718	NA	MeJP	NA	NA
+2877	opioid fragment of beta-lipotropin M-enkephalin	YGGFM	286.6067	MH2+	Inhouse_peptide	NA	peptide
+7853	NA	YGGFM	286.6067	MH2+	Inhouse_peptide	NA	peptide
+8123	secretory peptide hormone - (Met)enkephalin	YGGFM	286.6067	MH2+	Inhouse_peptide	NA	peptide
+7806	ACE inhibitor from caprine b-Lg	LQKW	286.6575	MH2+	Inhouse_peptide	NA	peptide
+2725	erythromycin inhibitor	MILVV	286.6722	MH2+	Inhouse_peptide	NA	peptide
+3608	NA	RTAKV	286.6735	MH2+	Inhouse_peptide	NA	peptide
+MJ023669	4,6-Dibromo-2-methyl-1H-indole 	C9H7Br2N	286.894524	NA	MeJP	NA	NA
+MJ023670	4-Amino-3-thiophenecarboxylic acid; N-(2,6-Dichlorophenyl) 	C11H7Cl2NO2S	286.957454	NA	MeJP	NA	NA
+MJ023671	Dichrostachinic acid 	C7H13NO7S2	287.013343	NA	MeJP	NA	NA
+MJ023672	Pseudaxinyssa Alkaloid 	C9H14BrN5O	287.038172	NA	MeJP	NA	NA
+C12106	AminoDAHP	C7H14NO9P	287.0406	NA	KEGG	NA	NA
+FL7AACNS0001	Cyanidin	C15H11O6	287.05556	528-58-5	knapsack	NA	NA
+FL7AEANS0001	Aurantinidin;6-Hydroxypelargonidin	C15H11O6	287.05556	25041-66-1	knapsack	NA	NA
+FL7DAGNS0001	Tricetinidin	C15H11O6	287.05556	65618-21-5	knapsack	NA	NA
+MJ023673	Cyanidin 	C15H11O6	287.055563	NA	MeJP	NA	NA
+MetaCyc02556	cyanidin []	C15H11O6	287.055563	NA	metacyc	NA	NA
+HMDB02708	Cyanidin	C15H11O6	287.05557	http://www.hmdb.ca/metabolites/HMDB02708	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02708	Cyanidin	C15H11O6	287.05557	http://www.hmdb.ca/metabolites/HMDB02708	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02708	Cyanidin	C15H11O6	287.05557	http://www.hmdb.ca/metabolites/HMDB02708	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02708	Cyanidin	C15H11O6	287.05557	http://www.hmdb.ca/metabolites/HMDB02708	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02708	Cyanidin	C15H11O6	287.05557	http://www.hmdb.ca/metabolites/HMDB02708	HMDB	NA	NA
+HMDB02708	Cyanidin	C15H11O6	287.05557	http://www.hmdb.ca/metabolites/HMDB02708	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02708	Cyanidin	C15H11O6	287.05557	HMDB02708	PFEM_hmdb_metabocards_official	NA	NA
+C05905	Cyanidin	C15H11O6	287.0556	NA	KEGG	NA	NA
+C08575	Aurantinidin	C15H11O6	287.0556	NA	KEGG	NA	NA
+MJ023674	Indoleglycerol phosphate 	C11H14NO6P	287.055873	NA	MeJP	NA	NA
+MetaCyc02557	indole-3-glycerol-phosphate [C1-(3-Indolyl)-glycerol 3-phosphate;indole-3-glycerol-P;1-(indol-3-yl)glycerol-3-P;1-(indol-3-yl)glycerol-3-phosphate;indoleglycerol phosphate;]	C11H14N1O6P1	287.055874	NA	metacyc	NA	NA
+C03506	Indoleglycerol phosphate	C11H14NO6P	287.0559	NA	KEGG	NA	NA
+MJ023675	Nifurtimox 	C10H13N3O5S	287.057591	NA	MeJP	NA	NA
+C08002	Nifurtimox	C10H13N3O5S	287.0576	NA	KEGG	NA	NA
+C08004	Transferred to D00834	C10H13N3O5S	287.0576	NA	KEGG	NA	NA
+MJ023676	Incadronic acid 	C8H19NO6P2	287.06876	NA	MeJP	NA	NA
+MJ023677	Chlorproguanil 	C11H15Cl2N5	287.07045	NA	MeJP	NA	NA
+C15270	Cycloguanil hydrochloride	C11H14ClN5	287.0705	NA	KEGG	NA	NA
+C13749	Sulmazole	C14H13N3O2S	287.0728	NA	KEGG	NA	NA
+MJ023678	Isomazole 	C14H13N3O2S	287.072847	NA	MeJP	NA	NA
+MJ023679	Sulmazole 	C14H13N3O2S	287.072847	NA	MeJP	NA	NA
+MJ023680	Cytosine; 1H-form, 1-N-?-D-Glucuronopyranosyl 	C10H13N3O7	287.075349	NA	MeJP	NA	NA
+MJ023681	Nikkomycin Cx 	C10H13N3O7	287.075349	NA	MeJP	NA	NA
+MJ023682	Tenofovir 	C9H14N5O4P	287.07834	NA	MeJP	NA	NA
+MJ023683	1,2,4-Trimethoxy-3H-phenoxazin-3-one 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023684	1,3,4,5-Tetrahydroxyacridone; 4,10-O,N-Di-Me 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023685	1,3,5,6-Tetrahydroxyacridone; 3,5-O,O-Di-Me 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023686	1,3,5,6-Tetrahydroxyacridone; 5,10-O,N-Di-Me 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023687	2-Benzamidobenzoic acid; 2',4-Dihydroxy, Me ester 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023688	2-Benzamidobenzoic acid; 2'-Hydroxy, 4-methoxy 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023689	Michigazone 	C15H13NO5	287.079372	NA	MeJP	NA	NA
+MJ023690	Dazadrol 	C15H14ClN3O	287.082539	NA	MeJP	NA	NA
+MJ023691	Clitocine 	C9H13N5O6	287.086583	NA	MeJP	NA	NA
+FL7DEANS0002	Carajuron;6,7,4'-Trihydroxy-5-methoxy-flavylium	C16H15O5	287.09194	-	knapsack	NA	NA
+CJpos0689	Phenylacetylglutamine [(M+Na)]+ (13C)	C1213CH16N2NaO4	287.095775	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0689	Phenylacetylglutamine [(M+Na)]+ (13C)	C1213CH16N2NaO4	287.095775	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ023692	Mezilamine 	C11H18ClN5S	287.097143	NA	MeJP	NA	NA
+CJneg0499	Pantothenic acid [(M-H)+(HCOONa)]-	C10H17NNaO7	287.098625	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0499	Pantothenic acid [(M-H)+(HCOONa)]-	C10H17NNaO7	287.098625	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C08344	Volkenin	C12H17NO7	287.1005	NA	KEGG	NA	NA
+MJ023693	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside 	C12H17NO7	287.100501	NA	MeJP	NA	NA
+MJ023694	3,4-Dihydroxy-2-methylpyridine; O3-?-D-Glucopyranoside 	C12H17NO7	287.100501	NA	MeJP	NA	NA
+MJ023695	Mycalisine A 	C13H13N5O3	287.101839	NA	MeJP	NA	NA
+MJ023696	Nauclefine 	C18H13N3O	287.105862	NA	MeJP	NA	NA
+MJ023697	Rutaecarpine 	C18H13N3O	287.105862	NA	MeJP	NA	NA
+C09238	Rutecarpine	C18H13N3O	287.1059	NA	KEGG	NA	NA
+MJ023698	8-Chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol 	C17H18ClNO	287.107691	NA	MeJP	NA	NA
+C17365	Clavamycin E	C11H17N3O6	287.1117	NA	KEGG	NA	NA
+HMDB02089	n-Ribosylhistidine	C11H17N3O6	287.11172	http://www.hmdb.ca/metabolites/HMDB02089	HMDB	NA	NA
+HMDB02089	n-Ribosylhistidine	C11H17N3O6	287.11172	HMDB02089	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02089	N-Ribosylhistidine	C11H17N3O6	287.111725	NA	HMDB2010	NA	NA
+HMDB02089	N-Ribosylhistidine	C11H17N3O6	287.11173	NA  ;SYN:beta-2-Amino-4-methylvaleric acid; L-beta-Leucine; beta-LeucineH2Blood	Inhouse_peptide	NA	peptide
+MJ023699	Clavamycin E 	C11H17N3O6	287.111735	NA	MeJP	NA	NA
+PJ000173	GPD 	C11H17N3O6	287.1118	NA	PeJP	NA	NA
+MJ023700	(S)-Norlaudanosoline 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023701	2-(4-Methoxyphenyl)ethylamine; N-(2,6-Dihydroxybenzoyl) 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023702	?-Erythroidine; 8-Oxo 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023703	Carbazomycin G; 6-Methoxy 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023704	Coranicine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023705	Crinine, 6-Hydroxy 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023706	Daphnarcine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023707	Flexinine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023708	Haemanthamine, 12-Epimer, O-de-Me 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023709	Haemanthamine, O-De-Me 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023710	Hamayne 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023711	Lunine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023712	Lycorine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023713	Obesine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023714	Pancracine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023715	Pancratium Base 6 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023716	Pipermethystine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023717	Piperpense 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023718	Piplartine; 3'-Demethoxy 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023719	Poetaricine 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023720	Pyrophen 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023721	Rhodophiala Base VI 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023722	Rhodophiala Base XIII 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023723	Roxiamine C 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023724	Schumagnine; N-Me 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MJ023725	?-Erythroidine; 8-Oxo 	C16H17NO4	287.115758	NA	MeJP	NA	NA
+MetaCyc02558	S-norlaudanosoline [(S)-tetrahydropapaveroline;]	C16H17N1O4	287.115758	NA	metacyc	NA	NA
+C02916	(S)-Norlaudanosoline	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C06350	(R,S)-Norlaudanosoline	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C06351	(R)-Norlaudanosoline	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C08519	Brunsvigine	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C08532	Lycorine	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C12164	Hamayne	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C12185	Nangustine	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C12186	Pancracine	C16H17NO4	287.1158	NA	KEGG	NA	NA
+C12194	11-Hydroxyvittatine	C16H17NO4	287.1158	NA	KEGG	NA	NA
+MJ023726	Cyclo(alanyltryptophyl), 4'-Methoxy 	C15H17N3O3	287.126991	NA	MeJP	NA	NA
+MJ023727	Gabazine 	C15H17N3O3	287.126991	NA	MeJP	NA	NA
+MJ023728	N?-Cinnamoylhistamine; (E)-1H-form, 4''-Hydroxy, 3''-methoxy 	C15H17N3O3	287.126991	NA	MeJP	NA	NA
+C13796	SR95531	C15H17N3O3	287.127	NA	KEGG	NA	NA
+2637	synthetic fr, of human beta-CN (42-46) ACE inhibitor	PSFQP	287.131	MH2+	Inhouse_peptide	NA	peptide
+MJ023729	3-Methoxy-2-methyl-1-phenyl-9H-carbazole 	C20H17NO	287.131014	NA	MeJP	NA	NA
+MJ023730	Thiotomoxetine 	C17H21NOS	287.134384	NA	MeJP	NA	NA
+3406	ACE inhibitor	TAP	287.136	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ023731	Naufoline 	C19H17N3	287.142247	NA	MeJP	NA	NA
+MJ023732	4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione 	C16H21N3S	287.145618	NA	MeJP	NA	NA
+C11329	N-Acetyl-ala-ala-ala-methylester	C12H21N3O5	287.1481	NA	KEGG	NA	NA
+PJ000174	APT 	C12H21N3O5	287.1481	NA	PeJP	NA	NA
+C07239	Ritodrine	C17H21NO3	287.1521	NA	KEGG	NA	NA
+C08526	Galanthamine	C17H21NO3	287.1521	NA	KEGG	NA	NA
+C09223	Mesembrenone	C17H21NO3	287.1521	NA	KEGG	NA	NA
+C11782	Dihydromorphine	C17H21NO3	287.1521	NA	KEGG	NA	NA
+C12195	Zephyramine	C17H21NO3	287.1521	NA	KEGG	NA	NA
+MJ023733	1-Hydroxymethylpyrrolizidine, O-(p-Hydroxycinnamoyl) 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023734	1-Piperoylpiperidine, 4,5-Dihydro 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023735	2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O4,O8,N-Tri-Me 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023736	2,4,8-Trihydroxy-3-prenylquinoline; NH-form, O4-Et, N-Me 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023737	2-Hydroxy-1-(1H-indol-3-yl)-4-methyl-3-hexanone; O-Ac 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023738	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Cinnamoyl 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023739	?7-Mesembrenone 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023740	Antibiotic FL 657B 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023741	Belladine; 3',4''-Di-O-de-Me 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023742	Belladine; O4'',N-Di-de-Me 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023743	Bodamine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023744	Chlidanthine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023745	Cocculitine; O15-De-Me 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023746	Coumaperine; 3'-Methoxy 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023747	Dihydromorphine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023748	Epigalanthamine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023749	Etodolac 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023750	Galanthamine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023751	Jaculadine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023752	Lauformine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023753	Litsericine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023754	Maritidine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023755	Mesembrenone 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023756	Pluviine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023757	Ritodrine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023758	Robecine 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023759	Solanapyrone B; 1''-Aldehyde, 4'-demethoxy, 4'-amino 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023760	Trichostatic acid 	C17H21NO3	287.152143	NA	MeJP	NA	NA
+MJ023761	Balfourodinium, 1'-Deoxy 	C17H22NO3(+)	287.152143	NA	MeJP	NA	NA
+MJ023762	4-[3-(1,1-Dimethylethyl)amino]-2-hydroxypropoxy-1H-indole-2-carbonitrile 	C16H21N3O2	287.163376	NA	MeJP	NA	NA
+MJ023763	Cytisine, N-(2-Oxo-1-pyrrolidinylmethyl) 	C16H21N3O2	287.163376	NA	MeJP	NA	NA
+MJ023764	Indolactam V, N-De-Me 	C16H21N3O2	287.163376	NA	MeJP	NA	NA
+MJ023765	Zolmitriptan 	C16H21N3O2	287.163376	NA	MeJP	NA	NA
+C07218	Zolmitriptan	C16H21N3O2	287.1634	NA	KEGG	NA	NA
+MJ023766	Cyproheptadine 	C21H21N	287.167399	NA	MeJP	NA	NA
+MJ023767	Naftifine 	C21H21N	287.167399	NA	MeJP	NA	NA
+C06935	Cyproheptadine	C21H21N	287.1674	NA	KEGG	NA	NA
+C06936	Transferred to D00288	C21H21N	287.1674	NA	KEGG	NA	NA
+C06938	Transferred to D00289	C21H21N	287.1674	NA	KEGG	NA	NA
+C08071	Naftifine	C21H21N	287.1674	NA	KEGG	NA	NA
+7635	ACE inhibitor from k-CN (fr, 51-53)	VAV	287.173	antioxidative	Inhouse_peptide	NA	peptide
+PJ000175	GVL 	C13H25N3O4	287.1845	NA	PeJP	NA	NA
+3257	beta-lactokinin	RL	287.185	celiac toxic	Inhouse_peptide	NA	peptide
+3258	beta-lactokinin	IR	287.185	celiac toxic	Inhouse_peptide	NA	peptide
+8215	Antioxidative peptide	IR	287.185	NA  ;SYN:2-Aminoacetate; 2-Aminoacetic acid; Aciport; Aminoacetate; Aminoacetic acid; Aminoethanoate; Aminoethanoic acid; Glicoamin; Glycocoll; Glycolixir; Glycosthene; Gyn-Hydralin; Padil; amino-Acetate; amino-Acetic acidH2Bile; Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+8246	renin inhibitor	IR	287.185	NA  ;SYN:(-)-Cystine; (R-(R*,R*))-3,3'-Dithiobis; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoate; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoic acid; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoate; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; 3,3'-Dithiobis; 3,3'-Dithiodialanine; 3,3'-dithiobis-L-Alanine; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoate; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoic acid; Bis(b-amino-b-carboxyethyl) disulfide; Cysteine disulfide; Cystin; Cystine; Cystine acid; D(+)-3,3'-Dithiobis(2-aminopropanoate; D(+)-3,3'-Dithiobis(2-aminopropanoic acid; Dicysteine; Gelucystine; L-(-)-Cystine; L-Cysteine disulfide; L-Cystin; Oxidized L-cysteine; [R-(R*,R*)]-3,3'-Dithiobis; b,b'-Diamino-b,b'-dicarboxydiethyl disulfide; b,b'-Dithiodialanine; beta,beta'-Dithiobisalanine; beta,beta'-Dithiodialanine; l-Cystine; Bis(b-amino-beta-carboxyethyl) disulfideH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+8247	CaMPDE inhibitor	IR	287.185	NA  ;SYN:(-)-Cystine; (R-(R*,R*))-3,3'-Dithiobis; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoate; 2-Amino-3-[(2-amino-2-carboxyethyl)dithio]propanoic acid; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoate; 2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid; 3,3'-Dithiobis; 3,3'-Dithiodialanine; 3,3'-dithiobis-L-Alanine; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoate; 3,3'-dithiobis[2-amino-[R-(R*,R*)]-Propanoic acid; Bis(b-amino-b-carboxyethyl) disulfide; Cysteine disulfide; Cystin; Cystine; Cystine acid; D(+)-3,3'-Dithiobis(2-aminopropanoate; D(+)-3,3'-Dithiobis(2-aminopropanoic acid; Dicysteine; Gelucystine; L-(-)-Cystine; L-Cysteine disulfide; L-Cystin; Oxidized L-cysteine; [R-(R*,R*)]-3,3'-Dithiobis; b,b'-Diamino-b,b'-dicarboxydiethyl disulfide; b,b'-Dithiodialanine; beta,beta'-Dithiobisalanine; beta,beta'-Dithiodialanine; l-Cystine; Bis(b-amino-beta-carboxyethyl) disulfideH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+C10153	Isolobinine	C18H25NO2	287.1885	NA	KEGG	NA	NA
+C15005	4-Aminoestra-1,3,5(10)-triene-3,17beta-diol	C18H25NO2	287.1885	NA	KEGG	NA	NA
+C15006	2-Aminoestra-1,3,5(10)-triene-3,17beta-diol	C18H25NO2	287.1885	NA	KEGG	NA	NA
+MJ023768	(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(3-Methylbutanoyl) 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023769	2-Heptyl-4-hydroxyquinoline; NH-form, 8-Methoxy, N-Me 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023770	2-Methyl-3-heptyl-4-hydroxy-7-methoxyquinoline 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023771	2-Nonyl-4(1H)-quinolinone; 9'-Hydroxy 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023772	3,6-Bis(3-methyl-2-butenyl)-1H-indole; 2',3'-Dihydro, 2'S,3'-dihydroxy 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023773	3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023774	4-(2-Aminoethyl)phenol; O-(3-Methyl-2-butenyl), N-tigloyl 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023775	Allylprodine 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023776	Crepidamine 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023777	Leiocarpadiol 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023778	Lobinanidine; 2'-Ketone 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023779	Lobinanidine; Diastereoisomer, 2'-ketone 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023780	Moxazocine 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+MJ023781	N-(4-Hydroxyphenethyl)-2,4-decadienamide 	C18H25NO2	287.188529	NA	MeJP	NA	NA
+CJpos0690	Stachydrine (Proline betaine) [(2M+H)]+ (13C)	C1313CH27N2O4	287.192075	C18rt(min)=0.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0690	Stachydrine (Proline betaine) [(2M+H)]+ (13C)	C1313CH27N2O4	287.192075	C18rt(min)=0.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ000176	LR 	C12H25N5O3	287.1957	NA	PeJP	NA	NA
+MJ023782	N2-Isoleucylarginine; L-L-form 	C12H25N5O3	287.195739	NA	MeJP	NA	NA
+MJ023783	N2-Leucylarginine; L-L-form 	C12H25N5O3	287.195739	NA	MeJP	NA	NA
+CJpos0691	Octenoylcarnitine [(M+H)]+ (18O)	C15H28NO318O	287.197675	C18rt(min)=7.3 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0691	Octenoylcarnitine [(M+H)]+ (18O)	C15H28NO318O	287.197675	C18rt(min)=7.3 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ023784	Plasmocid 	C17H25N3O	287.199762	NA	MeJP	NA	NA
+MJ023785	Proxazole 	C17H25N3O	287.199762	NA	MeJP	NA	NA
+CJpos0692	Octanoylcarnitine [(M+H)]+	C15H30NO4	287.209075	C18rt(min)=7.86 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0693	Octanoylcarnitine isomer [(M+H)]+	C15H30NO4	287.209075	C18rt(min)=7.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0692	Octanoylcarnitine [(M+H)]+	C15H30NO4	287.209075	C18rt(min)=7.86 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0693	Octanoylcarnitine isomer [(M+H)]+	C15H30NO4	287.209075	C18rt(min)=7.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	287.209656	NA	HMDB2010	NA	NA
+MJ023786	Dioxamate 	C15H29NO4	287.209658	NA	MeJP	NA	NA
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	287.20966	http://www.hmdb.ca/metabolites/HMDB00791	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	287.20966	http://www.hmdb.ca/metabolites/HMDB00791	HMDB	NA	NA
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	287.20966	Short chain acyl carnitines  ;SYN:2-[(2-carboxyacetyl)oxy]-4-hydroxy-N,N,N-trimethyl-4-oxo-1-Butanaminium  inner salt; 3-carboxy-2-[(carboxyacetyl)oxy]-N,N,N-trimethyl-1-Propanaminium  inner salt; Malonyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	287.20966	http://www.hmdb.ca/metabolites/HMDB00791	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00791	L-Octanoylcarnitine	C15H29NO4	287.20966	HMDB00791	PFEM_hmdb_metabocards_official	NA	NA
+C02838	L-Octanoylcarnitine	C15H29NO4	287.2097	NA	KEGG	NA	NA
+C02839	L-Tyrosyl-tRNA(Tyr)	C24H30N6O12PR	287.2097	NA	KEGG	NA	NA
+C02840	Linear DNA duplexes	C24H30N6O12PR	287.2097	NA	KEGG	NA	NA
+C02843	Long-chain acyl-CoA	C23H38N7O17P3S	287.2097	NA	KEGG	NA	NA
+C07378	Procyclidine	C19H29NO	287.2249	NA	KEGG	NA	NA
+MJ023787	Cycrimine 	C19H29NO	287.224914	NA	MeJP	NA	NA
+MJ023788	Histrionicotoxins; Histrionicotoxin 287A 	C19H29NO	287.224914	NA	MeJP	NA	NA
+MJ023789	Histrionicotoxins; Histrionicotoxin 287B 	C19H29NO	287.224914	NA	MeJP	NA	NA
+MJ023790	Histrionicotoxins; Histrionicotoxin 287D 	C19H29NO	287.224914	NA	MeJP	NA	NA
+MJ023791	Procyclidine 	C19H29NO	287.224914	NA	MeJP	NA	NA
+MJ023792	Solaurethine 	C15H33N3O2	287.257277	NA	MeJP	NA	NA
+MJ023793	Irniine 	C20H33N	287.2613	NA	MeJP	NA	NA
+MJ023794	Canavalmine; N'-(4-Aminobutyl) 	C15H37N5	287.304896	NA	MeJP	NA	NA
+2704	erythromycin inhibitor	MGQKL	287.6487	MH2+	Inhouse_peptide	NA	peptide
+2666	synthetic fr, of human beta-CN (125-129) ACE inhibitor	HLPLP	287.665	MH2+	Inhouse_peptide	NA	peptide
+MJ023795	gamma-Hexachlorocyclohexane 	C6H6Cl6	287.860066	NA	MeJP	NA	NA
+MJ023796	1,2,3,4,5,6-Hexachlorocyclohexane 	C6H6Cl6	287.860066	NA	MeJP	NA	NA
+MetaCyc02559	&gamma;-hexachlorocyclohexane [lindane;&gamma;-BHC;&gamma;-hexachlorocyclohexane;&gamma;-HCH;]	C6H6CL6	287.860066	NA	metacyc	NA	NA
+C06988	beta-1,2,3,4,5,6-Hexachlorocyclohexane	C6H6Cl6	287.8601	NA	KEGG	NA	NA
+C07075	Lindane	C6H6Cl6	287.8601	NA	KEGG	NA	NA
+C07076	Transferred to D00361	C6H6Cl6	287.8601	NA	KEGG	NA	NA
+C07077	Transferred to D00362	C6H6Cl6	287.8601	NA	KEGG	NA	NA
+C15214	alpha-Hexachlorocyclohexane	C6H6Cl6	287.8601	NA	KEGG	NA	NA
+MJ023797	2,4,4'-Trichloro-2'-hydroxydiphenyl ether 	C12H7Cl3O2	287.951162	NA	MeJP	NA	NA
+C12059	Triclosan	C12H7Cl3O2	287.9512	NA	KEGG	NA	NA
+C16193	1,6-Naphthalenedisulfonic acid	C10H8O6S2	287.9762	NA	KEGG	NA	NA
+C16194	2,6-Naphthalenedisulfonic acid	C10H8O6S2	287.9762	NA	KEGG	NA	NA
+MJ023798	Dodecafluoropentane 	C5F12	287.980838	NA	MeJP	NA	NA
+MJ023799	Perflisopent 	C5F12	287.980838	NA	MeJP	NA	NA
+MJ023800	Meridianin A; Deoxy, 5-bromo 	C12H9BrN4	288.001058	NA	MeJP	NA	NA
+MJ023801	Meridianin A; Deoxy, 6-bromo 	C12H9BrN4	288.001058	NA	MeJP	NA	NA
+MJ023802	Bromoaprobarbital 	C10H13BrN2O3	288.010954	NA	MeJP	NA	NA
+MJ023803	Amflutizole 	C11H7F3N2O2S	288.018032	NA	MeJP	NA	NA
+MJ023804	Polaprezinc 	C9H12N4O3Zn	288.020086	NA	MeJP	NA	NA
+C04691	2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate	C7H13O10P	288.0246	NA	KEGG	NA	NA
+C04692	Peptide 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine	C12H17N5O4R2	288.0246	NA	KEGG	NA	NA
+MJ023805	2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate 	C7H13O10P	288.024633	NA	MeJP	NA	NA
+MJ023806	3-Deoxy-arabino-heptulosonic acid, 7-Phosphate 	C7H13O10P	288.024633	NA	MeJP	NA	NA
+MetaCyc02560	3-deoxy-D-arabino-heptulosonate-7-phosphate [3-deoxy-D-arabino-heptulosonate-7-P;3-deoxy-arabino-heptulosonate 7-phosphate;3-deoxy-arabino-heptulosonate-7-P;2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate;3-deoxy-D-arabino-hept-2-ulosonate-7-phosphate;3-deoxy-arabino-heptulonate 7-phosphate;]	C7H13O10P1	288.024633	2627-73-8	metacyc	NA	NA
+MJ023807	1,2,3,7,8-Pentahydroxyanthraquinone 	C14H8O7	288.027002	NA	MeJP	NA	NA
+MJ023808	Ventilone A 	C14H8O7	288.027002	NA	MeJP	NA	NA
+MJ023809	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Ac 	C15H12O2S2	288.027871	NA	MeJP	NA	NA
+MJ023810	Ciprofibrate 	C13H14Cl2O3	288.031999	NA	MeJP	NA	NA
+MJ023811	Ritipenem 	C10H12N2O6S	288.041606	NA	MeJP	NA	NA
+MJ023812	1,3-Dithiol-2-ylidenepropanedioic acid; Diisopropyl ester 	C12H16O4S2	288.049	NA	MeJP	NA	NA
+C14304	Furamizole	C12H8N4O5	288.0495	NA	KEGG	NA	NA
+HMDB00788	Orotidine	C10H12N2O8	288.059357	NA	HMDB2010	NA	NA
+HMDB00788	Orotidine	C10H12N2O8	288.05936	http://www.hmdb.ca/metabolites/HMDB00788	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00788	Orotidine	C10H12N2O8	288.05936	http://www.hmdb.ca/metabolites/HMDB00788	HMDB	NA	NA
+HMDB00788	Orotidine	C10H12N2O8	288.05936	http://www.hmdb.ca/metabolites/HMDB00788	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00788	Orotidine	C10H12N2O8	288.05936	HMDB00788	PFEM_hmdb_metabocards_official	NA	NA
+MJ023813	Orotidine 	C10H12N2O8	288.059365	NA	MeJP	NA	NA
+FL1B1CNS0001	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone	C15H12O6	288.06338	89984-19-0	knapsack	NA	NA
+FL1BAANS0001	Maesopsin	C15H12O6	288.06338	5989-16-2	knapsack	NA	NA
+FL1C1GNS0001	Robtein	C15H12O6	288.06338	2679-65-4	knapsack	NA	NA
+FL1C2CNS0001	Neoplathymenin	C15H12O6	288.06338	526-12-5	knapsack	NA	NA
+FL1C3CNS0001	Okanin	C15H12O6	288.06338	484-76-4	knapsack	NA	NA
+FL1CACNS0001	3,4,2',4',6'-Pentahydroxychalcone	C15H12O6	288.06338	14917-41-0<BR>73692-51-0	knapsack	NA	NA
+FL1CHXNS0001	3,4,2',4',alpha-Pentahydroxychalcone	C15H12O6	288.06338	38681-20-8	knapsack	NA	NA
+FL2F2CNS0001	Plathymenin	C15H12O6	288.06338	492-12-6	knapsack	NA	NA
+FL2F3CNS0001	Isookanin	C15H12O6	288.06338	489-73-6	knapsack	NA	NA
+FL2FA8NS0001	5,7,2',6'-Tetrahydroxyflavanone	C15H12O6	288.06338	80604-16-6	knapsack	NA	NA
+FL2FA8NS0003	5,7,2',5'-Tetrahydroxyflavanone	C15H12O6	288.06338	74175-75-0	knapsack	NA	NA
+FL2FACNS0001	Eriodictyol	C15H12O6	288.06338	552-58-9	knapsack	NA	NA
+FL2FALNS0004	Steppogenin	C15H12O6	288.06338	56486-94-3	knapsack	NA	NA
+FL2FEANS0001	Carthamidin	C15H12O6	288.06338	479-54-9	knapsack	NA	NA
+FL2FFANS0001	Isocarthamidin	C15H12O6	288.06338	2569-76-8	knapsack	NA	NA
+FL4D1CNS0001	(2R,3R)-fustin	C15H12O6	288.06338	20725-03-5	knapsack	NA	NA
+FL4D1CNS0002	(2S,3S)-Fustin	C15H12O6	288.06338	17654-28-3	knapsack	NA	NA
+FL4DA8NS0001	3,5,7,2'-Tetrahydroxyflavanone	C15H12O6	288.06338	31477-95-9	knapsack	NA	NA
+FL4DAANS0001	(+)-Dihydrokaempferol;(+)-Aromadendrin;Katuranin;(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C15H12O6	288.06338	480-20-6	knapsack	NA	NA
+FL63RNNS0001	Cyanomaclurin	C15H12O6	288.06338	10020-68-5	knapsack	NA	NA
+FL63RNNS0002	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol	C15H12O6	288.06338	119116-87-9	knapsack	NA	NA
+FLIBALNS0002	(+-)-Dalbergioidin	C15H12O6	288.06338	30368-42-4	knapsack	NA	NA
+HMDB05810	Eriodictyol	C15H12O6	288.063385	NA	HMDB2010	NA	NA
+MJ023814	Dihydrokaempferol 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023815	Eriodictyol 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023816	1,2,3,5-Tetrahydroxyxanthone; 2,3-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023817	1,2,3,7-Tetrahydroxyxanthone; 2,3-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023818	1,2,3,7-Tetrahydroxyxanthone; 2,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023819	1,2,3,8-Tetrahydroxyxanthone; 1,2-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023820	1,2,3,8-Tetrahydroxyxanthone; 2,8-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023821	1,2,5,6-Tetrahydroxyxanthone; 1,5-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023822	1,2,5,6-Tetrahydroxyxanthone; 1,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023823	1,2,5,6-Tetrahydroxyxanthone; 5,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023824	1,2,6,8-Tetrahydroxyxanthone; 1,2-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023825	1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023826	1,2,6,8-Tetrahydroxyxanthone; 1,8-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023827	1,2,6,8-Tetrahydroxyxanthone; 2,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023828	1,2,6,8-Tetrahydroxyxanthone; 2,8-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023829	1,2,7,8-Tetrahydroxyxanthone; 1,8-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023830	1,2-Bis(2,4-dihydroxyphenyl)ethanedione; 4-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023831	1,3,4,5,8-Pentahydroxy-9H-fluoren-9-one; 1,4-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023832	1,3,4,5-Tetrahydroxyxanthone; 3,4-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023833	1,3,4,5-Tetrahydroxyxanthone; 3,5-Di Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023834	1,3,4,5-Tetrahydroxyxanthone; 4,5-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023835	1,3,4,6-Tetrahydroxyxanthone; 1,3-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023836	1,3,4,7-Tetrahydroxyxanthone; 3,4-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023837	1,3,4,7-Tetrahydroxyxanthone; 4,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023838	1,3,5,6-Tetrahydroxyxanthone; 1,3-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023839	1,3,5,6-Tetrahydroxyxanthone; 1,5-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023840	1,3,5,6-Tetrahydroxyxanthone; 3,5-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023841	1,3,5,6-Tetrahydroxyxanthone; 5,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023842	1,3,5,7-Tetrahydroxyxanthone; 3,5-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023843	1,3,5,7-Tetrahydroxyxanthone; 3,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023844	1,3,5,8-Tetrahydroxyxanthone; 1,3-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023845	1,3,5,8-Tetrahydroxyxanthone; 3,5-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023846	1,3,5,8-Tetrahydroxyxanthone; 3,8-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023847	1,3,5,8-Tetrahydroxyxanthone; 5,8-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023848	1,3,6,7-Tetrahydroxyxanthone; 1,3-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023849	1,3,6,7-Tetrahydroxyxanthone; 1,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023850	1,3,6,7-Tetrahydroxyxanthone; 3,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023851	1,3,6,7-Tetrahydroxyxanthone; 3,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023852	1,3,6,7-Tetrahydroxyxanthone; 6,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023853	1,3,6,8-Tetrahydroxyxanthone; 3,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023854	1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 7,8-Dihydro 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023855	1,5,6,7-Tetrahydroxyxanthone; 5,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023856	1,5,6,7-Tetrahydroxyxanthone; 6,7-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023857	2',3,3',4,4'-Pentahydroxychalcone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023858	2',3,4,4',5'-Pentahydroxychalcone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023859	2',3,4,4',5-Pentahydroxychalcone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023860	2',3,5,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023861	2',4',5',7-Tetrahydroxyisoflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023862	2',4',5,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023863	2',4',5,7-Tetrahydroxyisoflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023864	2',5,5',7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023865	2',5,6',7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023866	2,3,4,6-Tetrahydroxyxanthone; 3,6-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023867	2,3,4,7-Tetrahydroxyxanthone; 3,4-Di-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023868	2,4',5,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023869	2,4',5,7-Tetrahydroxyisoflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023870	2,6,7-Trihydroxy-9-methyl-4-dibenzofurancarboxylic acid; 7-Me ether 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023871	2-(2,6-Dihydroxy-4-methylbenzoyl)-3-hydroxybenzoic acid 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023872	2-(3,4-Dihydroxybenzyl)-2,6-dihydroxy-3(2H)-benzofuranone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023873	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy, 1'?-alcohol 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023874	3',4',5',7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023875	3',4',5,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023876	3',4',6,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023877	3',4',7,8-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023878	3',5,5',8-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023879	3,3',4',7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023880	3,4',5,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023881	3,4',7,8-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023882	3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; 15-Hydroxy 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023883	4',5,6,7-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023884	4',5,7,8-Tetrahydroxyflavanone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023885	Alphitonin; 3'-Deoxy 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023886	Anhydrofusarubin 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023887	Aspalatone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023888	Bethancorol; Deoxy 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023889	Cyanomaclurin 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023890	Dehydroaltenusin 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023891	Dihydromicromelin A; 14-Ketone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023892	Funalenone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023893	Haematoxylol A 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023894	Hydrangenol, 3',6-Dihydroxy 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023895	Obliquin, 5-Methoxy, 5'-oxo 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023896	Violaceic acid 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MJ023897	?,2',3,4,4'-Pentahydroxychalcone 	C15H12O6	288.063388	NA	MeJP	NA	NA
+MetaCyc02561	2,6,7,4'-tetrahydroxyisoflavanone []	C15H12O6	288.063388	NA	metacyc	NA	NA
+MetaCyc02562	eriodictyol []	C15H12O6	288.063388	NA	metacyc	NA	NA
+MetaCyc02563	dalbergioidin []	C15H12O6	288.063388	NA	metacyc	NA	NA
+MetaCyc02564	2-hydroxyisoflavanone naringenin [2,5,7,4'-tetrahydroxyisoflavanone;2-hydroxy-2,3-dihydrogenistein;]	C15H12O6	288.063388	NA	metacyc	NA	NA
+MetaCyc02565	dihydrokaempferol [aromadendrin;(+)-aromadendrin;(+)-Dihydrokaempferol;]	C15H12O6	288.063388	480-20-6	metacyc	NA	NA
+MetaCyc02566	2'4'6'34-pentahydroxychalcone []	C15H12O6	288.063388	NA	metacyc	NA	NA
+HMDB05810	Eriodictyol	C15H12O6	288.06339	http://www.hmdb.ca/metabolites/HMDB05810	HMDB	NA	NA
+HMDB05810	Eriodictyol	C15H12O6	288.06339	HMDB05810	PFEM_hmdb_metabocards_official	NA	NA
+C00974	Dihydrokaempferol	C15H12O6	288.0634	NA	KEGG	NA	NA
+C01378	Fustin	C15H12O6	288.0634	NA	KEGG	NA	NA
+C05631	Eriodictyol	C15H12O6	288.0634	NA	KEGG	NA	NA
+C08724	Okanin	C15H12O6	288.0634	NA	KEGG	NA	NA
+C09277	Micromelin	C15H12O6	288.0634	NA	KEGG	NA	NA
+C10060	3,5-Dimethoxy-1,6-dihydroxyxanthone	C15H12O6	288.0634	NA	KEGG	NA	NA
+C10064	Gentiacaulein	C15H12O6	288.0634	NA	KEGG	NA	NA
+C10083	2-O-Methylswertianin	C15H12O6	288.0634	NA	KEGG	NA	NA
+C10091	Swerchirin	C15H12O6	288.0634	NA	KEGG	NA	NA
+C10415	(+-)-Dalbergioidin	C15H12O6	288.0634	NA	KEGG	NA	NA
+C12631	2-Hydroxy-2,3-dihydrogenistein	C15H12O6	288.0634	NA	KEGG	NA	NA
+C15525	Eriodictyol chalcone	C15H12O6	288.0634	NA	KEGG	NA	NA
+C16233	2,6,7,4'-Tetrahydroxyisoflavanone	C15H12O6	288.0634	NA	KEGG	NA	NA
+C16940	Carthamidin	C15H12O6	288.0634	NA	KEGG	NA	NA
+MJ023898	3,4-Dihydroxy-2,5-thiophenedicarboxylic acid; Dipropyl ester 	C12H16O6S	288.066758	NA	MeJP	NA	NA
+MJ023899	13,13-Dichloro-12-(2-propenyl)-2,7-methano-1,6-dioxacyclododeca-4,9-diene 	C14H18Cl2O2	288.068385	NA	MeJP	NA	NA
+MJ023900	2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one 	C19H12O3	288.078644	NA	MeJP	NA	NA
+MJ023901	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4'-Hydroxy 	C19H12O3	288.078644	NA	MeJP	NA	NA
+MJ023902	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4-Hydroxy 	C19H12O3	288.078644	NA	MeJP	NA	NA
+MJ023903	4-Hydroxy-3-(1-naphthalenyl)-2H-1-benzopyran-2-one 	C19H12O3	288.078644	NA	MeJP	NA	NA
+MJ023904	Lachnanthocarpone 	C19H12O3	288.078644	NA	MeJP	NA	NA
+MJ023905	1,3,5-Benzenetriol; O-?-D-Glucopyranoside 	C12H16O8	288.084517	NA	MeJP	NA	NA
+MJ023906	3,5-Dihydroxy-2-methyl-4H-pyran-4-one; 5-O-?-L-Rhamnopyranoside 	C12H16O8	288.084517	NA	MeJP	NA	NA
+MJ023907	3-Hydroxy-2-methyl-4H-pyran-4-one; O-?-D-Glucopyranoside 	C12H16O8	288.084517	NA	MeJP	NA	NA
+MJ023908	4-Hydroxy-6-methyl-2H-pyran-2-one; O-?-D-Glucopyranoside 	C12H16O8	288.084517	NA	MeJP	NA	NA
+MJ023909	Cyathiformine B 	C12H16O8	288.084517	NA	MeJP	NA	NA
+MJ023910	Mycalisine B 	C13H12N4O4	288.085854	NA	MeJP	NA	NA
+MJ023911	Chlorotetaine 	C12H17ClN2O4	288.087684	NA	MeJP	NA	NA
+MJ023912	Xanthocillin X 	C18H12N2O2	288.089877	NA	MeJP	NA	NA
+MJ023913	Pterulone B 	C17H17ClO2	288.091707	NA	MeJP	NA	NA
+C15230	Iprobenfos	C13H21O3PS	288.0949	NA	KEGG	NA	NA
+C15231	Maneb	C13H21O3PS	288.0949	NA	KEGG	NA	NA
+C15232	Zineb	C13H21O3PS	288.0949	NA	KEGG	NA	NA
+C07558	Methitural	C12H20N2O2S2	288.0966	NA	KEGG	NA	NA
+MJ023914	Aglaidithioduline 	C12H20N2O2S2	288.096619	NA	MeJP	NA	NA
+MJ023915	Methitural 	C12H20N2O2S2	288.096619	NA	MeJP	NA	NA
+FL1D1CNS0001	4,2',4'-Trihydroxy-3-methoxydihydrochalcone	C16H16O5	288.09977	72463-72-0	knapsack	NA	NA
+FL1D1CNS0002	Dihydrocalythropsin	C16H16O5	288.09977	151703-05-8	knapsack	NA	NA
+FL1DABNS0001	2',4',6'-Trihydroxy-4-methoxydihydrochalcone	C16H16O5	288.09977	76172-68-4	knapsack	NA	NA
+FL1DBANS0001	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone	C16H16O5	288.09977	111316-17-7	knapsack	NA	NA
+FL1DCANS0001	Asebogenin	C16H16O5	288.09977	520-42-3	knapsack	NA	NA
+FL1DHXNS0004	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone	C16H16O5	288.09977	114107-24-3	knapsack	NA	NA
+FL1DHXNS0005	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone	C16H16O5	288.09977	117614-82-1	knapsack	NA	NA
+FL1DRTNS0004	Loureirin D	C16H16O5	288.09977	119425-91-1	knapsack	NA	NA
+MJ023916	1,11b-Dihydro-11b-hydroxymedicarpin 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023917	1-(2,3-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4'-Methylene, 3-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023918	1-(2,4-Dihydroxyphenyl)-1-hydroxy-3-(4-hydroxyphenyl)-2-propanone, 2'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023919	1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 4-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023920	1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 2'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023921	1-(2,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4'-Methylene, 5-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023922	1-(3-Hydroxyphenyl)-2-(2,3,4,5-tetrahydroxyphenyl)ethane; 4,5-Methylene, 3-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023923	1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2''-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023924	2',3',4',7-Tetrahydroxyisoflavan, 4'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023925	2',3,4,4'-Tetrahydroxydihydrochalcone; 3'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023926	2',3,4,4'-Tetrahydroxydihydrochalcone; 4'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023927	2',4',5',7-Tetrahydroxyisoflavan, 5'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023928	2,3,4,5,7-Phenanthrenepentol; 9,10-Dihydro, 2,4-di-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023929	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3-di-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023930	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 4,6-di-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023931	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, Ac 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023932	2,3-Dihydro-5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one, 6,8-Di-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023933	2,6-Dimethoxybenzoic acid; 4-Hydroxybenzyl ester 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023934	2-Hydroxybenzyl 2,6-dihydroxybenzoate; 2,2'-Di-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023935	2-Hydroxybenzyl alcohol; 2-Me ether, ?-O-(2-hydroxy-6-methoxybenzoyl) 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023936	3,3',4,4',5-Biphenylpentol; 3,4-Methylene, 3',4',5-tri-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023937	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023938	3,4-Dihydro-7,9-dihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione, 7-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023939	3-(4-Hydroxybenzyl)-3,4,7-chromantriol 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023940	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023941	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023942	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023943	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023944	5,9,10-Trihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-4(3H)-one, 9-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023945	6-Methoxy-1',2'-epoxycasegravol; 3',4'-Dideoxy, 3',4'-didehydro 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023946	7-Hydroxy-4-oxo-2,5-heptadienoic acid, O-Benzoyl, Et ester 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023947	8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one; 4-Hydroxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023948	Aloesaponol III, 11-Hydroxy, 8-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023949	Aloesaponol IV 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023950	Anhydrorutaretin; Me ether, 1'-methoxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023951	Asperflavin 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023952	Austrocortilutein, 1-Deoxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023953	Ceylantin 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023954	Citreofuran 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023955	Clavilactone C; 13-Deoxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023956	Dendranthemenol; 8,9-Epoxide, 13-epimer, Ac 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023957	Dihydrooroselol, O-Ac 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023958	Elemiferone 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023959	Gasteriacenone A, 4?-Hydroxy, 6-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023960	Glabralactone 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023961	Hemigossypolone; Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023962	Hyperbrasilone; 3'-Hydroxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023963	Isohemigossypolone; 3-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023964	Nanaomycin A; Alcohol 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023965	Pabulenol, 3',4'-Dihydro 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023966	Ptaerochromenol; 5-Me ether 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023967	Saropyrone 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023968	Swietenocoumarin A; 2',3'-Dihydro, 2',3'-dihydroxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023969	Ventilagone 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023970	Ventiloquinone F 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023971	Yangonin; 10-Methoxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023972	Yangonin; 11-Methoxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MJ023973	?-Lapachone; 4S-Hydroxy, 9-methoxy 	C16H16O5	288.099773	NA	MeJP	NA	NA
+MetaCyc02567	7,2'-dihydroxy-4'-methoxy-isoflavanol [DMI;]	C16H16O5	288.099774	NA	metacyc	NA	NA
+C09471	Asebogenin	C16H16O5	288.0998	NA	KEGG	NA	NA
+C10292	Alkannin	C16H16O5	288.0998	NA	KEGG	NA	NA
+C12435	5-Deoxodihydrokalafungin	C16H16O5	288.0998	NA	KEGG	NA	NA
+C16187	7,2'-Dihydroxy-4'-methoxy-isoflavanol	C16H16O5	288.0998	NA	KEGG	NA	NA
+C17412	Shikonin	C16H16O5	288.0998	NA	KEGG	NA	NA
+MJ023974	Tetrazepam 	C16H17ClN2O	288.10294	NA	MeJP	NA	NA
+MJ023975	Antibiotic Sch 37137 	C10H16N4O6	288.106984	NA	MeJP	NA	NA
+MJ023976	Tiflucarbine 	C16H17FN2S	288.109647	NA	MeJP	NA	NA
+MJ023977	3-Carboxy-1,2,3,4-tetrahydro-?-carboline-1-propanoic acid 	C15H16N2O4	288.111007	NA	MeJP	NA	NA
+MJ023978	5-(1-Aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-1H-indole-4,7-dione 	C15H16N2O4	288.111007	NA	MeJP	NA	NA
+MJ023979	Mitomycin H 	C15H16N2O4	288.111007	NA	MeJP	NA	NA
+MJ023980	Tomaymycin; 11-O-De-Me, 11-ketone 	C15H16N2O4	288.111007	NA	MeJP	NA	NA
+MJ023981	Soterenol 	C12H20N2O4S	288.114377	NA	MeJP	NA	NA
+C11769	R-Soterenol	C12H20N2O4S	288.1144	NA	KEGG	NA	NA
+MJ023982	2-(4-Methyl-1,3-pentadienyl)anthraquinone 	C20H16O2	288.115029	NA	MeJP	NA	NA
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	HMDB	NA	NA
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	Inhouse_PFEM	NA	NA
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC033	UNKNOWN signif manip paracetamol	NA	288.1168	RT10	PFEM_hmdb_metabocards_official	NA	NA
+MJ023983	Galacturonic acid; ?-D-Pyranose-form, 1,2:3,4-Di-O-isopropylidene, Me ester 	C13H20O7	288.120902	NA	MeJP	NA	NA
+MJ023984	Piromidic acid 	C14H16N4O3	288.12224	NA	MeJP	NA	NA
+MJ023985	Diphenpyramide 	C19H16N2O	288.126263	NA	MeJP	NA	NA
+C17720	Difenpiramide	C19H16N2O	288.1263	NA	KEGG	NA	NA
+MJ023986	6-[(3-Methylphenyl)methyl]-2-[(2-methylpropyl)thio]-4(1H)-pyrimidinone 	C16H20N2OS	288.129633	NA	MeJP	NA	NA
+MJ023987	Voxergolide 	C16H20N2OS	288.129633	NA	MeJP	NA	NA
+MJ023988	Palythine-serine; 3-N-Me 	C12H20N2O6	288.132136	NA	MeJP	NA	NA
+MJ023989	Palythine; 3-N-(2-Hydroxyethyl) 	C12H20N2O6	288.132136	NA	MeJP	NA	NA
+MJ023990	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 2',3''-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023991	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 2',4''-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023992	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 3'',4'-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023993	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propane; 4',4''-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023994	1-(2-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4',5'-Tri-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023995	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethane; 3,3',5'-Tri-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023996	1-(3-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,5-Tri-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023997	1-(4-Hydroxy-2-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propane 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023998	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4',5-Tri-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ023999	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,5-Tri-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024000	1-Hydroxy-3,7(11),8-eudesmatrien-12,8-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024001	1-Hydroxy-4(15),7(11),8-eudesmatrien-12,8-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024002	2,3,9-Trihydroxy-14-cadalenal; 7,8-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024003	2,3-Epoxy-2-(3-methyl-2-butenyl)-1,4-naphthalenedione; 4-Di-Me acetal 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024004	3,4',5-Trihydroxy-4-(3-hydroxy-3-methylbutyl)biphenyl 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024005	3,4-Dihydro-1,3-dimethyl-1H-naphtho[2,3-c]pyran-7,9,10-triol, 7,9-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024006	3-(1,1-Dimethyl-2-propenyl)-2,8-dimethoxy-5-methyl-4H-benzopyran-4-one 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024007	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-1,3-butadienyl)(Z-), 3'-Me ether, 1-Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024008	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, 1'-Oxo 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024009	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024010	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,8-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024011	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024012	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024013	4-Isopropyl-2,3,4',5-biphenyltetrol; 3,5-Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024014	5,11-Tridecadiene-7,9-diyne-1,3-diol; Di-Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024015	6,12,13-Trihydroxy-5,8,11,13-podocarpatetraen-7-one 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024016	6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran; 2-Methylpropanoyl 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024017	6-Hydroxy-1(10),4(15),11(13)-guaiatrien-12,8-olide, 6-Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024018	6-Hydroxy-1(10),7(11),8-eremophilatrien-12,8-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024019	6-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024020	6-Hydroxyfuranoeremophil-1(10)-en-9-one, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024021	7-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-2H-1-benzopyran-2-one, 7-Me, 3'-Et ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024022	8-Hydroxy-1(10),2,4-guaiatrien-12,6-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024023	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024024	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Ac 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024025	Avicenol A; 3-Deoxy 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024026	Cacalol; 13-Acetoxy 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024027	Chloranthalactone C 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024028	Heteropeucenin; Di-Me ether 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024029	Ligustilide; 9-Angeloyloxy 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024030	Mysorenone A 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024031	Strobilurin A; 3'-Methoxy 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024032	Strobilurin A; 4'-Methoxy 	C17H20O4	288.136159	NA	MeJP	NA	NA
+MJ024033	Strobilurin A; 4-Methoxy 	C17H20O4	288.136159	NA	MeJP	NA	NA
+C09942	Karwinaphthol B	C17H20O4	288.1362	NA	KEGG	NA	NA
+C11166	SDS	C12H25O4S	288.1371	NA	KEGG	NA	NA
+C11167	Transferred to D01046	C12H25O4S	288.1371	NA	KEGG	NA	NA
+HMDB05004	Sodium lauryl sulfate	C12H25NaO4S	288.137115	NA	HMDB2010	NA	NA
+HMDB05004	Sodium lauryl sulfate	C12H25NaO4S	288.13712	http://www.hmdb.ca/metabolites/HMDB05004	HMDB	NA	NA
+HMDB05004	Sodium lauryl sulfate	C12H25NaO4S	288.13712	HMDB05004	PFEM_hmdb_metabocards_official	NA	NA
+MJ024034	Irtemazole 	C18H16N4	288.137496	NA	MeJP	NA	NA
+PJ000177	AAQ 	C11H20N4O5	288.1434	NA	PeJP	NA	NA
+MJ024035	1-(Ethoxymethyl)-5-ethyl-6-(phenylmethyl)-2,4(1H,3H)-pyrimidinedione 	C16H20N2O3	288.147392	NA	MeJP	NA	NA
+MJ024036	4-(3-Methyl-2-butenyl)tryptophan, 4'-Hydroxy 	C16H20N2O3	288.147392	NA	MeJP	NA	NA
+MJ024037	Cyclo(glycyltyrosyl), O-(3-Methyl-2-butenyl) 	C16H20N2O3	288.147392	NA	MeJP	NA	NA
+MJ024038	Megasporizine 	C16H20N2O3	288.147392	NA	MeJP	NA	NA
+MJ024039	Morsuximide 	C16H20N2O3	288.147392	NA	MeJP	NA	NA
+MetaCyc02568	indole-3-acetyl-leu [indole-3-acetyl-leucine;]	C16H20N2O3	288.147393	NA	metacyc	NA	NA
+C11494	Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate	C16H20N2O3	288.1474	NA	KEGG	NA	NA
+C11495	Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate	C16H20N2O3	288.1474	NA	KEGG	NA	NA
+7481	ACE inhibitor (fragment of k-casein: 185-190)	VTSTAV	288.1495	MH2+	Inhouse_peptide	NA	peptide
+PJ000178	NR 	C10H20N6O4	288.1546	NA	PeJP	NA	NA
+MJ024040	chiro-Inositol, 1,4-Di-Me, 2,3:5,6-Di-O-isopropylidene 	C14H24O6	288.157288	NA	MeJP	NA	NA
+2726	erythromycin inhibitor	MSLKV	288.1592	MH2+	Inhouse_peptide	NA	peptide
+MJ024041	Milverine 	C20H20N2	288.162648	NA	MeJP	NA	NA
+MJ024042	Alkaloid 1 (Calabash curare) 	C20H21N2(+)	288.162648	NA	MeJP	NA	NA
+C03935	6beta-Hydroxyestradiol-17beta	C18H24O3	288.1725	NA	KEGG	NA	NA
+C03939	Acetyl-[acyl-carrier protein]	C2H3OSR	288.1725	NA	KEGG	NA	NA
+C03940	Anthocyanidin-3-O-beta-D-glucoside	C21H19O10R2	288.1725	NA	KEGG	NA	NA
+C03941	Calmodulin N6-methyl-L-lysine	C8H15N3O2R2	288.1725	NA	KEGG	NA	NA
+C03942	D-Galactosylglycosaminoglycan	C8H15N3O2R2	288.1725	NA	KEGG	NA	NA
+C05141	Estriol	C18H24O3	288.1725	NA	KEGG	NA	NA
+C05301	2-Hydroxyestradiol	C18H24O3	288.1725	NA	KEGG	NA	NA
+C14209	4-Hydroxyestradiol-17beta	C18H24O3	288.1725	NA	KEGG	NA	NA
+C15385	D-Homo-A-nor-17a-oxaandrost-3(5)-ene-2,17-dione	C18H24O3	288.1725	NA	KEGG	NA	NA
+MJ024043	6beta-Hydroxyestradiol-17beta 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024044	Estriol 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024045	12,13-Dihydroxy-8,11,13-podocarpatrien-3-one; 12-Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024046	12,13-Dihydroxy-8,11,13-podocarpatrien-7-one; 13-Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024047	13,14-Dihydroxy-8,11,13-podocarpatrien-7-one; 13-Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024048	13-Hydroxy-8,12-podocarpadiene-11,14-dione; Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024049	16-Hydroxy-9,17-octadecadiene-12,14-diynoic acid, Aldehyde, 9?,10?-epoxide 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024050	16-Hydroxy-9,17-octadecadiene-12,14-diynoic acid 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024051	3,12-Dihydroxy-13-methyl-8,11,13-podocarpatrien-7-one 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024052	3,4-Dihydroxybenzaldehyde; 4-O-(3,7-Dimethyl-2,6-octadienyl), 3-Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024053	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024054	4-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxybenzoic acid; Me ester 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024055	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ester 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024056	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024057	4-Hydroxy-3,5-diprenylacetophenone; 4''-Hydroxy 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024058	4-Hydroxy-3,5-diprenylacetophenone; 5''-Hydroxy 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024059	5-Hydroxy-2-nonyl-4H-1-benzopyran-4-one 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024060	6,8,11,13-Podocarpatetraene-1,13,14-triol, 13-Me ether 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024061	7-Hydroxy-15,16-dinor-12-oxo-8(14)-cassen-17-oic acid, 17?7 Lactone 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024062	8,11,13-Podocarpatriene-12,19-diol; 19-Carboxylic acid, Me ester 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024063	8-Hydroxy-13,17-octadecadiene-9,11-diynoic acid 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024064	Colletorin B 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024065	Dicranenone A 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024066	Dicranenone B1 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024067	Doisynolic acid 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024068	Estra-1,3,5(10)-triene-3,15,17-triol 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024069	Estra-1,3,5(10)-triene-3,16,17-triol 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024070	Hynapene B 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024071	Hynapene C 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024072	Piloselloidone 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MJ024073	Premnolal 	C18H24O3	288.172544	NA	MeJP	NA	NA
+MetaCyc02569	2-hydroxyestradiol [2-hydroxyestradiol-17 &alpha;;2-hydroxyestradiol-17 &beta;;]	C18H24O3	288.172545	362-05-0	metacyc	NA	NA
+MetaCyc02570	estriol [estetrol;16-hydroxyestradiol;16-epiestriol;16,17-epiestriol;ovestin;1,3,5(10)-estratriene-3,16-&alpha;,17&beta;-triol;]	C18H24O3	288.172545	50-27-1	metacyc	NA	NA
+MetaCyc02571	6&beta;-Hydroxyestradiol-17&beta; []	C18H24O3	288.172545	NA	metacyc	NA	NA
+HMDB00153	Estriol	C18H24O3	288.172546	NA	HMDB2010	NA	NA
+HMDB00338	2-Hydroxyestradiol	C18H24O3	288.172546	NA	HMDB2010	NA	NA
+HMDB00347	16b-Hydroxyestradiol	C18H24O3	288.172546	NA	HMDB2010	NA	NA
+HMDB00356	17-Epiestriol	C18H24O3	288.172546	NA	HMDB2010	NA	NA
+HMDB00431	16,17-Epiestriol	C18H24O3	288.172546	NA	HMDB2010	NA	NA
+HMDB05896	4-hydroxyestradiol	C18H24O3	288.172546	NA	HMDB2010	NA	NA
+HMDB00153	Estriol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00153	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00153	Estriol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00153	HMDB	NA	NA
+HMDB00338	2-Hydroxyestradiol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00338	HMDB	NA	NA
+HMDB00347	16b-Hydroxyestradiol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00347	HMDB	NA	NA
+HMDB00356	17-Epiestriol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00356	HMDB	NA	NA
+HMDB00431	16,17-Epiestriol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00431	HMDB	NA	NA
+HMDB00153	Estriol	C18H24O3	288.17255	http://www.hmdb.ca/metabolites/HMDB00153	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00153	Estriol	C18H24O3	288.17255	HMDB00153	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00338	2-Hydroxyestradiol	C18H24O3	288.17255	HMDB00338	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00347	16b-Hydroxyestradiol	C18H24O3	288.17255	HMDB00347	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00356	17-Epiestriol	C18H24O3	288.17255	HMDB00356	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00431	16,17-Epiestriol	C18H24O3	288.17255	HMDB00431	PFEM_hmdb_metabocards_official	NA	NA
+PJ000179	AAK 	C12H24N4O4	288.1798	NA	PeJP	NA	NA
+MJ024074	1,4-Butanediamine; N-E-Cinnamoyl, N'-(2-methylpropanoyl) 	C17H24N2O2	288.183778	NA	MeJP	NA	NA
+MJ024075	Benzastatin G 	C17H24N2O2	288.183778	NA	MeJP	NA	NA
+MJ024076	Phenglutarimide 	C17H24N2O2	288.183778	NA	MeJP	NA	NA
+MJ024077	3-Docosene-1,11,13,15,21-pentayne 	C22H24	288.1878	NA	MeJP	NA	NA
+MJ024078	10-Bisabolene-1,2,3,6,7-pentol 	C15H28O5	288.193674	NA	MeJP	NA	NA
+MJ024079	6-Hydroxypentadecanedioic acid 	C15H28O5	288.193674	NA	MeJP	NA	NA
+MJ024080	7-Hydroxypentadecanedioic acid 	C15H28O5	288.193674	NA	MeJP	NA	NA
+MJ024081	Grandol 	C15H28O5	288.193674	NA	MeJP	NA	NA
+MJ024082	Valinoctin; Valinoctin B 	C14H28N2O4	288.204907	NA	MeJP	NA	NA
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR387	Testosterone F1	NA	288.207975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR387	Testosterone F1	NA	288.207975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR387	Testosterone F1	NA	288.207975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR387	Testosterone F1	NA	288.207975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR387	Testosterone 	C19H28O2	288.207975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR098	Dehydroepiandrosterone	C19H28O2	288.2089	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR100	Testosterone	C19H28O2	288.2089	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR098	Dehydroepiandrosterone	C19H28O2	288.2089	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR100	Testosterone	C19H28O2	288.2089	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR098	Dehydroepiandrosterone	C19H28O2	288.2089	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR100	Testosterone	C19H28O2	288.2089	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR098	Dehydroepiandrosterone	C19H28O2	288.2089	Wishlist	Inhousejuil11	NA	NA
+EUR100	Testosterone	C19H28O2	288.2089	Wishlist	Inhousejuil11	NA	NA
+C00535	Testosterone	C19H28O2	288.2089	NA	KEGG	NA	NA
+C00674	5alpha-Androstane-3,17-dione	C19H28O2	288.2089	NA	KEGG	NA	NA
+C00675	Deoxynucleoside 3'-phosphate	C5H10O6PR	288.2089	NA	KEGG	NA	NA
+C00676	Deoxynucleoside 5'-phosphate	C5H10O6PR	288.2089	NA	KEGG	NA	NA
+C00677	Deoxynucleoside triphosphate	C5H12O12P3R	288.2089	NA	KEGG	NA	NA
+C00678	Lipid-linked oligosaccharide	C5H12O12P3R	288.2089	NA	KEGG	NA	NA
+C01227	Dehydroepiandrosterone	C19H28O2	288.2089	NA	KEGG	NA	NA
+C03772	5beta-Androstane-3,17-dione	C19H28O2	288.2089	NA	KEGG	NA	NA
+C03773	6-Acetyl-beta-D-galactoside	C8H13O7R	288.2089	NA	KEGG	NA	NA
+C14491	Normethandrolone	C19H28O2	288.2089	NA	KEGG	NA	NA
+C14682	3-Methoxyestra-2,5(10)-dien-17beta-ol	C19H28O2	288.2089	NA	KEGG	NA	NA
+C15258	17beta-Hydroxy-2alpha-methylestr-4-en-3-one	C19H28O2	288.2089	NA	KEGG	NA	NA
+C15335	3beta-Hydroxy-5-androsten-16-one	C19H28O2	288.2089	NA	KEGG	NA	NA
+C15377	17beta-Hydroxy-5alpha-androst-1-en-3-one	C19H28O2	288.2089	NA	KEGG	NA	NA
+C15395	17beta-Hydroxy-4-methylestr-4-en-3-one	C19H28O2	288.2089	NA	KEGG	NA	NA
+HMDB00234	Testosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00234	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00077	Dehydroepiandrosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00077	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00234	Testosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00234	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00628	Epitestosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00628	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00899	Androstanedione	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00899	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00234	Testosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00234	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00234	Testosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00234	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00077	Dehydroepiandrosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00077	HMDB	NA	NA
+HMDB00234	Testosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00234	HMDB	NA	NA
+HMDB00628	Epitestosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00628	HMDB	NA	NA
+HMDB00899	Androstanedione	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00899	HMDB	NA	NA
+HMDB03769	Etiocholanedione 	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB03769	HMDB	NA	NA
+HMDB03959	19-Oxotestosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB03959	HMDB	NA	NA
+HMDB05962	Dehydroandrosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB05962	HMDB	NA	NA
+HMDB06035	4-Dihydroboldenone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB06035	HMDB	NA	NA
+HMDB00077	Dehydroepiandrosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00077	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00234	Testosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00234	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00628	Epitestosterone	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00628	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00899	Androstanedione	C19H28O2	288.20892	http://www.hmdb.ca/metabolites/HMDB00899	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00077	Dehydroepiandrosterone	C19H28O2	288.20892	HMDB00077	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00234	Testosterone	C19H28O2	288.20892	HMDB00234	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00628	Epitestosterone	C19H28O2	288.20892	HMDB00628	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00899	Androstanedione	C19H28O2	288.20892	HMDB00899	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03769	Etiocholanedione 	C19H28O2	288.20892	HMDB03769	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03959	19-Oxotestosterone	C19H28O2	288.20892	HMDB03959	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05962	Dehydroandrosterone	C19H28O2	288.20892	HMDB05962	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06035	4-Dihydroboldenone	C19H28O2	288.20892	HMDB06035	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00077	Dehydroepiandrosterone	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB00234	Testosterone	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB00628	Epitestosterone	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB00899	Androstanedione	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB03769	Etiocholanedione	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB03959	19-Oxotestosterone	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB05962	Dehydroandrosterone	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+HMDB06035	4-Dihydroboldenone	C19H28O2	288.208923	NA	HMDB2010	NA	NA
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	HMDB	NA	NA
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	HMDB	NA	NA
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	Inhouse_PFEM	NA	NA
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	Inhouse_PFEM	NA	NA
+MJ024083	5alpha-Androstane-3,17-dione 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024084	5beta-Androstane-3,17-dione 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024085	3beta-Hydroxyandrost-5-en-17-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024086	Testosterone 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024087	11-Hydroxy-20-nor-8,15-isopimaradien-7-one; 11?-form 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024088	13,15-Epoxy-20-nor-8,10,16-lobatrien-18-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024089	17,18-Epoxy-14-nor-8,10,15-lobatrien-13-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024090	17-Hydroxyandrost-4-en-3-one; 17?-form 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024091	17-Hydroxyandrost-4-en-3-one; 17?-form 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024092	18-Nor-8,11,13-abietatrien-4-ol; 4-Epimer, 4-hydroperoxide 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024093	18-Nor-8,11,13-abietatrien-4-ol; 4-Hydroperoxide 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024094	18-Nor-8,11,13-abietatriene-4,15-diol; 4?-form 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024095	18-Nor-8,11,13-abietatriene-4,7-diol 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024096	2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol, Di-Me ether 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024097	3-Hydroxyandrost-11-en-17-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024098	3-Hydroxyandrost-4-en-17-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024099	3-Hydroxyandrost-5-en-17-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024100	3-Hydroxyandrost-9(11)-en-17-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024101	5,8,11,14,17-Nonadecapentaenoic acid 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024102	5-Methyl-3-(1-tetradecenyl)-2(5H)-furanone, 11,12,13,14-Tetradehydro(E,E-) 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024103	6-Hydroxy-3,5-cycloandrostan-17-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024104	8-Hydroxy-19-nor-4(18),15-isopimaradien-7-one 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024105	Acalycixeniolide B; 13,14-Dihydro 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024106	Androstane-3,17-dione 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024107	Aplysillolide B 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024108	Aplytandiene 1 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024109	Benorterone 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024110	Bicyclogermacren-3-ol, 3-(2-Methyl-2-propenoyl) 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024111	Cannabigerovarin 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024112	Elisabethin B 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024113	Fischeria A 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024114	Normethandrone 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024115	Pipataline 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024116	Trestolone 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MJ024117	Xestenone 	C19H28O2	288.20893	NA	MeJP	NA	NA
+MetaCyc02572	dehydroepiandrosterone []	C19H28O2	288.20893	NA	metacyc	NA	NA
+MetaCyc02573	5-&beta;-androstane-3,17-dione []	C19H28O2	288.20893	1229-12-5	metacyc	NA	NA
+MetaCyc02574	3-&beta;-hydroxyandrost-5-en-17-one []	C19H28O2	288.20893	NA	metacyc	NA	NA
+MetaCyc02575	5&alpha;-Androstane-3,17-dione [Androstanedione;]	C19H28O2	288.20893	846-46-8	metacyc	NA	NA
+MetaCyc02576	testosterone []	C19H28O2	288.20893	NA	metacyc	NA	NA
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR098	Dehydroepiandrosterone	C19H28O2	288.20893	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR100	Testosterone	C19H28O2	288.20893	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0694	Octanoylcarnitine [(M+H)]+ (13C)	C1413CH30NO4	288.212475	C18rt(min)=7.86 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0695	Octanoylcarnitine isomer [(M+H)]+ (13C)	C1413CH30NO4	288.212475	C18rt(min)=7.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0694	Octanoylcarnitine [(M+H)]+ (13C)	C1413CH30NO4	288.212475	C18rt(min)=7.86 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0695	Octanoylcarnitine isomer [(M+H)]+ (13C)	C1413CH30NO4	288.212475	C18rt(min)=7.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR466	Testosterone glucuronide F2	NA	288.212675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR466	Testosterone glucuronide F2	NA	288.212675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR466	Testosterone glucuronide F2	NA	288.212675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR466	Testostérone glucuronide F2	F2	288.212675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR466	Testosterone glucuronide F2	NA	288.212675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR466	Testosterone glucuronide F2	F2	288.212675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR390	Dehydroepiandrosterone F1	NA	288.213075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ024118	Bumecaine 	C18H28N2O	288.220163	NA	MeJP	NA	NA
+MJ024119	Bupivacaine 	C18H28N2O	288.220163	NA	MeJP	NA	NA
+MJ024120	Flabellidine; Natural-form 	C18H28N2O	288.220163	NA	MeJP	NA	NA
+MJ024121	Flabelline 	C18H28N2O	288.220163	NA	MeJP	NA	NA
+MJ024122	Serratinidine; Deoxy 	C18H28N2O	288.220163	NA	MeJP	NA	NA
+C07529	Bupivacaine	C18H28N2O	288.2202	NA	KEGG	NA	NA
+C07887	L-(-)-1-Butyl-2',6'-pipecoloxylidide	C18H28N2O	288.2202	NA	KEGG	NA	NA
+C09865	Flabellidine	C18H28N2O	288.2202	NA	KEGG	NA	NA
+MJ024123	10,16-Dihydroxyhexadecanoic acid 	C16H32O4	288.230059	NA	MeJP	NA	NA
+MJ024124	15,16-Dihydroxyhexadecanoic acid 	C16H32O4	288.230059	NA	MeJP	NA	NA
+MJ024125	3,12-Dihydroxyhexadecanoic acid 	C16H32O4	288.230059	NA	MeJP	NA	NA
+MJ024126	4,6-Diethyl-3,6-dihydroxydecanoic acid; Et ester 	C16H32O4	288.230059	NA	MeJP	NA	NA
+MJ024127	8,16-Dihydroxyhexadecanoic acid 	C16H32O4	288.230059	NA	MeJP	NA	NA
+MJ024128	9,16-Dihydroxyhexadecanoic acid 	C16H32O4	288.230059	NA	MeJP	NA	NA
+MetaCyc02577	10,16-dihydroxypalmitate []	C16H32O4	288.23006	NA	metacyc	NA	NA
+C08285	10,16-Dihydroxyhexadecanoic acid	C16H32O4	288.2301	NA	KEGG	NA	NA
+C11872	Kaur-16-en-18-ol	C20H32O	288.2453	NA	KEGG	NA	NA
+C11882	Abietinol	C20H32O	288.2453	NA	KEGG	NA	NA
+C11883	Levopimarinol	C20H32O	288.2453	NA	KEGG	NA	NA
+C11884	Neoabietinol	C20H32O	288.2453	NA	KEGG	NA	NA
+C11895	Taxa-4(20),11(12)-dien-5alpha-ol	C20H32O	288.2453	NA	KEGG	NA	NA
+C14906	(5alpha,17beta)-3-Methyl-androst-2-en-17-ol	C20H32O	288.2453	NA	KEGG	NA	NA
+C15101	17-Methyl-5-alpha-androst-2-en-17-beta-ol	C20H32O	288.2453	NA	KEGG	NA	NA
+C15492	all-trans-13,14-Dihydroretinol	C20H32O	288.2453	NA	KEGG	NA	NA
+C16858	Pachydictyol A	C20H32O	288.2453	NA	KEGG	NA	NA
+MJ024129	1(14),3,7-Neodolabellatrien-5-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024130	1(15),17-Dolastadien-4-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024131	1(15),8(19)-Trinervitadien-9-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024132	1(15),8-Dolastadien-2-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024133	1(15),8-Dolastadien-4-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024134	1(15),8-Trinervitadien-2-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024135	1(15),8-Trinervitadien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024136	1,11-Trinervitadien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024137	1,15-Valparadien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024138	1,3,11-Cembratrien-6-one 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024139	1,3,6,11-Cembratetraen-8-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024140	1,3,7,10-Cembratetraen-12-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024141	1,3,7,11-Cembratetraen-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024142	1,3,7,11-Cembratetraen-14-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024143	1,3,7,11-Cembratetraen-15-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024144	1,3,7,11-Cembratetraen-9-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024145	1,3,7,11-Cembratetraene, 11S,12S-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024146	1,3,7,11-Cembratetraene, 7R,8R-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024147	1,3,7,12(20)-Cembratetraen-11-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024148	1,3-Dolastadien-9-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024149	1,4,6,10,14-Phytapentaen-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024150	1,4-Epoxy-13-dolastene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024151	1,6,10,13,15-Phytapentaen-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024152	10(14),17-Cneorubadien-4-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024153	10-Isopropyl-3,7,13-trimethyl-2,6,11,13-tetradecatetraen-1-al 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024154	13(15),17-Spatadien-10-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024155	13(15),17-Sphenolobadien-4-one; 13(15)E-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024156	13(16),14-Gnaphaladien-8-ol; 8?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024157	13,17-Epoxyatisane 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024158	13,17-Spatadien-10-ol; 10?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024159	13,17-Spatadien-5-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024160	13-Villanoven-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024161	13-Villanovene-17,18-diol; ent-form, 17-Deoxy 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024162	14,15-Epoxy-3,11(18)-prenyleudesmadiene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024163	14,15-Epoxy-4,8(19)-xeniaphylladiene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024164	14,17-Cyclo-8,13(16)-labdadien-19-ol; 14?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024165	15-Beyeren-1-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024166	15-Beyeren-12-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024167	15-Beyeren-17-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024168	15-Beyeren-18-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024169	15-Beyeren-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024170	15-Beyeren-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024171	15-Beyerene, 15?,16?-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024172	15-Kauranone 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024173	15-Kauren-17-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024174	15-Phyllocladene; 17-Hydroxy 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024175	15-Ripperten-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024176	15-Valparen-2-one; 3àH-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024177	16,17-Epoxykaurane 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024178	16-Atisen-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024179	16-Kauren-11-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024180	16-Kauren-15-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024181	16-Kauren-18-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024182	16-Kauren-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024183	16-Kauren-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024184	16-Kauren-6-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024185	16-Kauren-7-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024186	16-Kauren-9-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024187	17,18-Epoxy-8,10,13(15)-lobatriene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024188	17-Kauranal 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024189	18(4?3)-Abeo-8,13-epoxy-4(19),14-labdadiene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024190	18-Trachylobanol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024191	19-Helvifulvanol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024192	2,12-Cyathadien-1-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024193	2,15-Valparadien-1-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024194	2,15-Valparadiene; 2?,3?-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024195	2,4,7,11-Cembratetraen-10-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024196	2,6,10,13,15-Phytapentaen-1-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024197	2,6,10,14-Phytatetraen-1-ol, Aldehyde 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024198	3(19),15-Valparadien-2-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024199	3,12,14-Clerodatrien-11-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024200	3,13(16),14-Clerodatrien-17-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024201	3,15-Valparadien-2-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024202	3,4-Epoxy-13(15),16-sphenolobadien-18-ol, 18-Deoxy, ?17-Isomer 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024203	3,7,11,15(17)-Cembratetraen-16-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024204	3,7,11,15-Cembratetraen-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024205	3,7,11,15-Cembratetraen-14-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024206	3,7,11,15-Cembratetraen-19-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024207	3,7,11,15-Cembratetraen-2-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024208	3,7,11,15-Cembratetraene, 3S,4S-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024209	3,7,12(18)-Dolabellatrien-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024210	3,7,12-Dolabellatrien-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024211	3,7,12-Dolabellatrien-6-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024212	3,7,15-Cembratrien-10-one 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024213	3,7,18-Dolabellatrien-12-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024214	3,7,18-Dolabellatriene, 7?,8?-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024215	3,7,18-Dolabellatriene, 3?,4?-Epoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024216	3,7-Cyclo-1,8,11-cembratrien-4-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024217	3,9,14-Pachydictyatrien-6-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024218	3-Trachylobanol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024219	3-Virgen-18-one 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024220	4(20),11,13-Prenyleudesmatrien-15-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024221	4,10-Epoxy-2,7,11-cembratriene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024222	4,5-Epoxy-8(19),14-xeniaphylladiene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024223	4,8(19),13-Xeniaphyllatrien-15-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024224	4,8(19),14-Xeniaphyllatrien-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024225	4,8,18-Dolabellatrien-16-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024226	4,8,18-Dolabellatrien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024227	5,15-Rosadiene-11-ol; 11?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024228	5-Abieten-7-one 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024229	5-Neoverrucosanol, 5-Ketone 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024230	6,8(17),14-Labdatrien-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024231	6,8,14-Labdatrien-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024232	7(17),10(14)-Fusicoccadiene; 8?-Hydroxy 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024233	7,12(18)-Dolabelladien-2-one; 7E-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024234	7,12,14-Labdatrien-17-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024235	7,13-Abietadien-11-ol; 11?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024236	7,13-Abietadien-12-ol; 12?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024237	7,13-Abietadien-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024238	7,13-Abietadien-19-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024239	7,13-Abietadien-3-one, 3?-Alcohol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024240	7,13-Abietadien-5-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024241	7,15-Isopimaradien-14-ol; 14?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024242	7,15-Isopimaradien-17-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024243	7,15-Isopimaradien-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024244	7,15-Isopimaradien-19-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024245	7,15-Isopimaradien-2-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024246	7,15-Isopimaradien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024247	7,15-Pimaradien-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024248	7-Trachylobanol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024249	8(14),15-Isopimaradien-1-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024250	8(14),15-Isopimaradien-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024251	8(14),15-Isopimaradien-19-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024252	8(14),15-Isopimaradien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024253	8(14),15-Isopimaradien-7-ol; 7?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024254	8(14),15-Pimaradien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024255	8(17),12,14-Labdatrien-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024256	8(17),12,14-Labdatrien-19-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024257	8(17),12,14-Labdatrien-3-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024258	8(17),12,14-Labdatrien-7-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024259	8(17),13(16),14-Labdatrien-7-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024260	8(17),13-Gnaphaladien-15-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024261	8,10,13(15),16-Lobatetraen-18-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024262	8,10,15,17-Lobatetraen-13-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024263	8,13-Epoxy-6,14-labdadiene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024264	8,15-Abietadien-19-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024265	8,15-Isopimaradien-17-ol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024266	8,15-Isopimaradien-18-oic acid; ent-form, 18-Alcohol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024267	8,15-Isopimaradien-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024268	9(11),15-Isopimaradien-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024269	9(11),15-Pimaradien-18-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024270	9(11),15-Pimaradien-19-ol; ent-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024271	9,15-Epoxy-7(17)-fusicoccene; 9?-form 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024272	Bolenol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024273	Calyculone D 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024274	Dictymal 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024275	Dictyolene 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024276	Dictyoxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024277	Ethylestrenol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024278	Faraunatin 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024279	Germacrexeniolone 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024280	Isotrixagoyl oxide 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024281	Isoverticillenol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024282	Laukarlaol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024283	Longipenol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024284	Pachydictyol A 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024285	Rotalin A 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024286	Sphaeropyrane 	C20H32O	288.245315	NA	MeJP	NA	NA
+MJ024287	Strobol 	C20H32O	288.245315	NA	MeJP	NA	NA
+MetaCyc02578	taxa-4(20),11-dien-5&alpha;-ol []	C20H32O1	288.245316	NA	metacyc	NA	NA
+MetaCyc02579	ent-kaur-16-en-19-ol []	C20H32O1	288.245316	NA	metacyc	NA	NA
+HMDB11618	All-trans-13,14-dihydroretinol	C20H32O	288.245331	NA	HMDB2010	NA	NA
+MJ024288	Tedisamil 	C19H32N2	288.256549	NA	MeJP	NA	NA
+MJ024289	Theonelladine A 	C19H32N2	288.256549	NA	MeJP	NA	NA
+C01523	Pregnane	C21H36	288.2817	NA	KEGG	NA	NA
+C01525	R'C(R)SH	CH2SR2	288.2817	NA	KEGG	NA	NA
+MJ024290	1,3,6,9-Heneicosatetraene 	C21H36	288.281701	NA	MeJP	NA	NA
+MJ024291	6,9,12,15-Heneicosatetraene 	C21H36	288.281701	NA	MeJP	NA	NA
+MJ024292	Pentadecylbenzene 	C21H36	288.281701	NA	MeJP	NA	NA
+HMDB05943	5b-Pregnanediol	C21H36	288.281708	NA	HMDB2010	NA	NA
+3332	human beta-casein fr, 57-61	SLVYP	288.6495	MH2+	Inhouse_peptide	NA	peptide
+3787	NA	YPVSL	288.6495	MH2+	Inhouse_peptide	NA	peptide
+MJ024293	(3,5-Dibromo-4-hydroxyphenyl)acetic acid; Nitrile 	C8H5Br2NO	288.873789	NA	MeJP	NA	NA
+C03822	2,6-Dichlorophenolindophenol sodium salt	C12H6Cl2NO2	288.9673	NA	KEGG	NA	NA
+C03823	2-(2-Hydroxyacyl)sphingosine	C20H38NO4R	288.9673	NA	KEGG	NA	NA
+MJ024294	Thiocholine; S-Ac; iodide 	C7H16INOS	288.999728	NA	MeJP	NA	NA
+MJ024295	Deoxyrubroflavin; 3,3-S-Dioxide 	C9H11N3O4S2	289.019097	NA	MeJP	NA	NA
+MJ024296	Deoxyrubroflavin; 3,5-S-Dioxide 	C9H11N3O4S2	289.019097	NA	MeJP	NA	NA
+MJ024297	Quinethazone 	C10H12ClN3O3S	289.028789	NA	MeJP	NA	NA
+C07342	Quinethazone	C10H12ClN3O3S	289.0288	NA	KEGG	NA	NA
+MJ024298	Brevinic acid 	C14H11NO4S	289.040878	NA	MeJP	NA	NA
+C14927	N-(6-Oxo-6H-dibenzo[b,d]pyran-2-yl)methanesulfonamide	C14H11NO4S	289.0409	NA	KEGG	NA	NA
+C14965	N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)methanesulfonamide	C14H11NO4S	289.0409	NA	KEGG	NA	NA
+MJ024299	Satranidazole 	C8H11N5O5S	289.048089	NA	MeJP	NA	NA
+C11184	PMEG	C8H12N5O5P	289.0576	NA	KEGG	NA	NA
+C08478	Dianthramine	C14H11NO6	289.0586	NA	KEGG	NA	NA
+MJ024300	2,2'-Iminobis[4-hydroxybenzoic acid] 	C14H11NO6	289.058637	NA	MeJP	NA	NA
+MJ024301	2-Benzamidobenzoic acid; 2',4,4'-Trihydroxy 	C14H11NO6	289.058637	NA	MeJP	NA	NA
+MJ024302	Epoxyquinomicin C; 1-Ketone 	C14H11NO6	289.058637	NA	MeJP	NA	NA
+MJ024303	Precatorine 	C14H11NO6	289.058637	NA	MeJP	NA	NA
+MJ024304	3,3'-Iminobis-1-propanol; O,O'-Dimethanesulfonyl 	C8H19NO6S2	289.065378	NA	MeJP	NA	NA
+MJ024305	Adrafinil 	C15H15NO3S	289.077264	NA	MeJP	NA	NA
+MJ024306	N-Succinyl-2-L-amino-6-oxoheptanedioate 	C11H15NO8	289.079766	NA	MeJP	NA	NA
+MetaCyc02580	N-succinyl-2-amino-6-ketopimelate [N-Succinyl-2-L-amino-6-oxoheptanedioate;N-succinyl-L-2-amino-6-oxoheptanedioate;succinyl-&epsilon;-keto-&alpha;-aminopimelate;]	C11H15N1O8	289.079766	NA	metacyc	NA	NA
+HMDB12266	N-Succinyl-2-amino-6-ketopimelate	C11H15NO8	289.079773	NA	HMDB2010	NA	NA
+C04462	N-Succinyl-2-L-amino-6-oxoheptanedioate	C11H15NO8	289.0798	NA	KEGG	NA	NA
+C05537	N-Succinyl-2-amino-6-oxopimelate	C11H15NO8	289.0798	NA	KEGG	NA	NA
+MJ024307	5-(3-Azido-4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine 	C12H12ClN7	289.084271	NA	MeJP	NA	NA
+MJ024308	6-Chloro-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol 	C16H16ClNO2	289.086956	NA	MeJP	NA	NA
+MJ024309	Nicoclonate 	C16H16ClNO2	289.086956	NA	MeJP	NA	NA
+MJ024310	Anhydroaspergillomarasmine A 	C10H15N3O7	289.090999	NA	MeJP	NA	NA
+C10631	Acronycidine	C15H15NO5	289.095	NA	KEGG	NA	NA
+MJ024311	4,5,7,8-Tetramethoxyfuro[2,3-b]quinoline 	C15H15NO5	289.095022	NA	MeJP	NA	NA
+MJ024312	4-(5,7-Dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-6-yl)-2-piperidinone 	C15H15NO5	289.095022	NA	MeJP	NA	NA
+MJ024313	Actiketal 	C15H15NO5	289.095022	NA	MeJP	NA	NA
+MJ024314	Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, Tetra-Me ether 	C15H15NO5	289.095022	NA	MeJP	NA	NA
+MJ024315	N-(3-Hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl)propenamide 	C15H15NO5	289.095022	NA	MeJP	NA	NA
+MJ024316	Renierol; O-Propanoyl 	C15H15NO5	289.095022	NA	MeJP	NA	NA
+MJ024317	Lodaxaprine 	C15H16ClN3O	289.098189	NA	MeJP	NA	NA
+C05253	2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-	C9H15N5O6	289.1022	NA	KEGG	NA	NA
+MetaCyc02581	2-amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin []	C9H15N5O6	289.102233	NA	metacyc	NA	NA
+HMDB12144	2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin	C9H15N5O6	289.102234	NA	HMDB2010	NA	NA
+MetaCyc02582	7,2'-dihydroxy-4'-methoxy-isoflavanol-quinonemethide-intermediate-2 []	C16H17O5	289.107599	NA	metacyc	NA	NA
+MetaCyc02583	7,2'-dihydroxy-4'-methoxy-isoflavanol-quinonemethide-intermediate-1 []	C16H17O5	289.107599	NA	metacyc	NA	NA
+MetaCyc02584	7,2'-dihydroxy-4'-methoxy-isoflavanol carbocation intermediate 1 []	C16H17O5	289.107599	NA	metacyc	NA	NA
+PJ000180	APC 	C11H19N3O4S	289.1096	NA	PeJP	NA	NA
+MJ024318	2-Phenyl-4-quinolinecarboxylic acid; 2-Propenyl ester 	C19H15NO2	289.110278	NA	MeJP	NA	NA
+MJ024319	Teniloxazine 	C16H19NO2S	289.113649	NA	MeJP	NA	NA
+MJ024320	Acitazanolast; Butyl ester 	C13H15N5O3	289.117489	NA	MeJP	NA	NA
+MJ024321	Dihydrorutaecarpine 	C18H15N3O	289.121512	NA	MeJP	NA	NA
+MJ024322	Clemeprol 	C17H20ClNO	289.123341	NA	MeJP	NA	NA
+MJ024323	Clofedanol 	C17H20ClNO	289.123341	NA	MeJP	NA	NA
+MJ024324	Butamisole 	C15H19N3OS	289.124882	NA	MeJP	NA	NA
+HMDB05765	Ophthalmic acid	C11H19N3O6	289.12738	http://www.hmdb.ca/metabolites/HMDB05765	HMDB	NA	NA
+HMDB05765	Ophthalmic acid	C11H19N3O6	289.12738	HMDB05765	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05765	Ophthalmic acid	C11H19N3O6	289.12738	NA	HMDB2010	NA	NA
+MJ024325	Ophthalmic acid; L-L-form 	C11H19N3O6	289.127385	NA	MeJP	NA	NA
+MJ024326	Tabtoxin 	C11H19N3O6	289.127385	NA	MeJP	NA	NA
+PJ000181	AAE 	C11H19N3O6	289.1274	NA	PeJP	NA	NA
+C10444	3'-Demethoxypiplartine	C16H19NO4	289.1314	NA	KEGG	NA	NA
+C10647	Balfourodine	C16H19NO4	289.1314	NA	KEGG	NA	NA
+C10847	Benzoylecgonine	C16H19NO4	289.1314	NA	KEGG	NA	NA
+C12170	Zephyranthine	C16H19NO4	289.1314	NA	KEGG	NA	NA
+C12187	Pseudolycorine	C16H19NO4	289.1314	NA	KEGG	NA	NA
+MJ024327	2-Methoxy-4,5-methylenedioxycinnamic acid, Piperidide 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024328	Amabiline 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024329	Balfourodine 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024330	Crinamabine; 4a-Deoxy 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024331	Dihydrolycorine 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024332	Ecgonine, O-Benzoyl 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024333	Foliosidine; 3'-Deoxy, 2'-ketone 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024334	Galanthine; O2,O9-Di-de-Me 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024335	Glycocitlone A; 8-Hydroxy 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024336	Lunacridine, 3',4'-Didehydro, N-de-Me 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024337	Oligophyline; 6,7-Dimethoxy, N-de-Me 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024338	Pseudolycorine 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024339	Ribalinine, 9-Methoxy 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024340	Roletamide 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024341	Scopolamine, N-De-Me 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024342	Zephyranthine 	C16H19NO4	289.131408	NA	MeJP	NA	NA
+MJ024343	Balfourodinium, O8-De-Me 	C16H20NO4(+)	289.131408	NA	MeJP	NA	NA
+MJ024344	Ribalinium 	C16H20NO4(+)	289.131408	NA	MeJP	NA	NA
+MJ024345	Rutalinium 	C16H20NO4(+)	289.131408	NA	MeJP	NA	NA
+MJ024346	Chloropyramine 	C16H20ClN3	289.134575	NA	MeJP	NA	NA
+PJ000182	DR 	C10H19N5O5	289.1386	NA	PeJP	NA	NA
+MJ024347	Antibiotic TAN 1169A; N8-De-Me 	C15H19N3O3	289.142641	NA	MeJP	NA	NA
+CJpos0696	Methylglutarylcarnitine isomer [(M+H)]+	C13H24NO6	289.151975	C18rt(min)=4.7 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0697	Methylglutarylcarnitine isomer [(M+H)]+	C13H24NO6	289.151975	C18rt(min)=4.83 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0698	Adipoylcarnitine [(M+H)]+	C13H24NO6	289.151975	C18rt(min)=5.25 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0696	Methylglutarylcarnitine isomer [(M+H)]+	C13H24NO6	289.151975	C18rt(min)=4.7 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0697	Methylglutarylcarnitine isomer [(M+H)]+	C13H24NO6	289.151975	C18rt(min)=4.83 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0698	Adipoylcarnitine [(M+H)]+	C13H24NO6	289.151975	C18rt(min)=5.25 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00552	3-Methylglutarylcarnitine	C13H23NO6	289.152527	NA	HMDB2010	NA	NA
+HMDB00552	3-Methylglutarylcarnitine	C13H23NO6	289.15253	http://www.hmdb.ca/metabolites/HMDB00552	HMDB	NA	NA
+HMDB00552	3-Methylglutarylcarnitine	C13H23NO6	289.15253	HMDB00552	PFEM_hmdb_metabocards_official	NA	NA
+MJ024348	Etazolate 	C14H19N5O2	289.153874	NA	MeJP	NA	NA
+MJ024349	1-Phenyl-3-(1-piperazinyl)isoquinoline 	C19H19N3	289.157897	NA	MeJP	NA	NA
+MJ024350	Malindine; N-De-Me 	C19H19N3	289.157897	NA	MeJP	NA	NA
+PJ000183	GTL 	C12H23N3O5	289.1638	NA	PeJP	NA	NA
+MJ024351	L-Hyoscyamine 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024352	2-(?-Hydroxybenzyl)-3-tropanol, O3-Ac 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024353	4-Benzyl-3,6-tropanediol, 3-Ac 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024354	4-Hydroxyepilupinine; 11-O-Benzoyl 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024355	Coumaperine; 3'-Methoxy, 4',5'-dihydro 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024356	Fastunine 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024357	Galanthamine, 1,2-Dihydro 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024358	Irenine 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024359	Isophellibiline; Me ether 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024360	Littorine 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024361	Mesembrenol 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024362	Mesembrine 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024363	Oridine 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024364	Rotraxate 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MJ024365	Tropine tropate 	C17H23NO3	289.167793	NA	MeJP	NA	NA
+MetaCyc02585	L-hyoscyamine [L-tropine tropate;daturine;duboisine;]	C17H23N1O3	289.167794	101-31-5	metacyc	NA	NA
+MetaCyc02586	atropine [d1-hyoscyamine;]	C17H23N1O3	289.167794	51-55-8	metacyc	NA	NA
+C01479	Atropine	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C02046	L-Hyoscyamine	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C02047	L-Leucyl-tRNA	C21H32N6O11PR	289.1678	NA	KEGG	NA	NA
+C09224	Mesembrine	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C10859	Knightinol	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C10860	Littorine	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C12233	Lycoramine	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C14884	cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C14908	3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-	C17H23NO3	289.1678	NA	KEGG	NA	NA
+C15081	trans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-	C17H23NO3	289.1678	NA	KEGG	NA	NA
+MJ024366	Troxolamide 	C13H25N2O5	289.176346	NA	MeJP	NA	NA
+MJ024367	Alchornidine 	C16H23N3O2	289.179026	NA	MeJP	NA	NA
+MJ024368	Taclamine 	C21H23N	289.183049	NA	MeJP	NA	NA
+MJ024369	Nonaperone 	C18H24FNO	289.184192	NA	MeJP	NA	NA
+MJ024370	1-(Isopropylamino)-3-(1,4-ethano-1,2,3,4-tetrahydro-5-naphthyloxy)-2-propanol 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024371	2,4,8,10,12-Tetradecapentaenoic acid, 2-Hydroxy-2-methylpropylamide 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024372	Alifedrine 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024373	Butaverine 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024374	Caramiphen 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024375	Dyclonine 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024376	Hexacaine 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024377	Homosedinone 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024378	Lobinanidine 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+MJ024379	Pentapiperide 	C18H27NO2	289.204179	NA	MeJP	NA	NA
+C07881	Dyclonine	C18H27NO2	289.2042	NA	KEGG	NA	NA
+C07882	Transferred to D00735	C18H27NO2	289.2042	NA	KEGG	NA	NA
+C07883	Transferred to D00736	C18H27NO2	289.2042	NA	KEGG	NA	NA
+C17827	Hydroxy-gamma-sanshool	C18H27NO2	289.2042	NA	KEGG	NA	NA
+CJpos0699	Octanoylcarnitine isomer [(M+H)]+ (13C2)	C1313C2H30NO4	289.215775	C18rt(min)=7.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0699	Octanoylcarnitine isomer [(M+H)]+ (13C2)	C1313C2H30NO4	289.215775	C18rt(min)=7.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ024380	Bencyclane 	C19H31NO	289.240564	NA	MeJP	NA	NA
+C14958	17a-Aza-D-homoandrost-5-en-3beta-ol	C19H31NO	289.2406	NA	KEGG	NA	NA
+MJ024381	2-Amino-1,3,4-hexadecanetriol 	C16H35NO3	289.261693	NA	MeJP	NA	NA
+MJ024382	4-Pentadecylpyridine 	C20H35N	289.27695	NA	MeJP	NA	NA
+3263	b-casomorphin-5 (60-64)	YPFPG	289.628	MH2+	Inhouse_peptide	NA	peptide
+3790	NA	YPTSL	289.639	MH2+	Inhouse_peptide	NA	peptide
+3497	ACE inhibitor (from bovine as1-CN)	FFVAP	289.6465	MH2+	Inhouse_peptide	NA	peptide
+3044	inhibitor of fibrinogen and thrombin coagulation	GPRGPP	289.6495	MH2+	Inhouse_peptide	NA	peptide
+MJ024383	Silver silicate (Ag4(Si2O6)) 	Ag2O3Si	289.771856	NA	MeJP	NA	NA
+C17258	Calcium sulfate hemihydrate	C12H23NO9S2	289.8392	NA	KEGG	NA	NA
+C17259	desulfo-Glucosinolate	C7H12NO6SR	289.8392	NA	KEGG	NA	NA
+C17260	Glucosinolate	C7H12NO9S2R	289.8392	NA	KEGG	NA	NA
+C17261	Thiohydroximic acid	CH2NOSR	289.8392	NA	KEGG	NA	NA
+C17262	S-Alkyl-thiohydroximate	C4H7N2O3SR	289.8392	NA	KEGG	NA	NA
+C17263	2-Alkylmalic acid	C4H5O5R	289.8392	NA	KEGG	NA	NA
+C17264	3-Alkylmalic acid	C4H5O5R	289.8392	NA	KEGG	NA	NA
+C17265	Aliphatic oxo acid	C3H3O3R	289.8392	NA	KEGG	NA	NA
+C17266	Homoamino acid	C3H6NO2R	289.8392	NA	KEGG	NA	NA
+MJ024384	4-Hydroxy-3-iodo-5-nitrobenzoic acid; Nitrile 	C7H3IN2O3	289.918835	NA	MeJP	NA	NA
+C11057	3,4,3',4'-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14199	2,2',5,5'-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14247	2,2',4,4'-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14360	2,2',4,5-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14361	2,3,4,4'-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14362	2,3,4,5-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14363	2,3,5,6-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C14364	2,4,4',6-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+C18114	3,4,4',5-Tetrachlorobiphenyl	C12H6Cl4	289.9224	NA	KEGG	NA	NA
+MJ024385	Mycenone 	C11H5Cl3O3	289.930427	NA	MeJP	NA	NA
+MJ024386	2,3-Dichloro-4-(3-chloro-2-nitrophenyl)pyrrole 	C10H5Cl3N2O2	289.94166	NA	MeJP	NA	NA
+MJ024387	2-Oxo-3-[(2-thienylacetyl)amino]-1-azetidinesulfonic acid 	C9H10N2O5S2	290.003112	NA	MeJP	NA	NA
+MetaCyc02587	3-phosphoglucarate [3-phosphoglucerate;]	C6H11O11P1	290.003898	NA	metacyc	NA	NA
+MJ024388	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 2-Ketone, Ac 	C14H10O3S2	290.007135	NA	MeJP	NA	NA
+MJ024389	?-Oxo-5'-(1-propynyl)[2,2'-bithiophene]-5-acetic acid; Me ester 	C14H10O3S2	290.007135	NA	MeJP	NA	NA
+C17113	Furocaespitane	C12H16BrClO	290.0073	NA	KEGG	NA	NA
+MJ024390	Furocaespitane 	C12H16BrClO	290.007305	NA	MeJP	NA	NA
+MJ024391	Isofurocaespitane 	C12H16BrClO	290.007305	NA	MeJP	NA	NA
+MJ024392	1-Chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyn-2-ol; Ac 	C15H11ClO2S	290.016827	NA	MeJP	NA	NA
+MJ024393	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Chloro, Ac 	C15H11ClO2S	290.016827	NA	MeJP	NA	NA
+MJ024394	Pterulinic acid 	C15H11ClO4	290.034586	NA	MeJP	NA	NA
+MJ024395	Sultiame 	C10H14N2O4S2	290.039498	NA	MeJP	NA	NA
+HMDB01068	D-Sedoheptulose 7-phosphate	C7H15O10P	290.04028	http://www.hmdb.ca/metabolites/HMDB01068	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01068	D-Sedoheptulose 7-phosphate	C7H15O10P	290.04028	http://www.hmdb.ca/metabolites/HMDB01068	HMDB	NA	NA
+HMDB01068	D-Sedoheptulose 7-phosphate	C7H15O10P	290.04028	http://www.hmdb.ca/metabolites/HMDB01068	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01068	D-Sedoheptulose 7-phosphate	C7H15O10P	290.04028	HMDB01068	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01068	D-Sedoheptulose 7-phosphate	C7H15O10P	290.040283	NA	HMDB2010	NA	NA
+MJ024396	D-Sedoheptulose 7-phosphate 	C7H15O10P	290.040283	NA	MeJP	NA	NA
+MJ024397	Sedoheptulose 1-phosphate 	C7H15O10P	290.040283	NA	MeJP	NA	NA
+MJ024398	Sedoheptulose 7-phosphate 	C7H15O10P	290.040283	NA	MeJP	NA	NA
+MJ024399	altro-2-Heptulose, 7-Phosphate 	C7H15O10P	290.040283	NA	MeJP	NA	NA
+MetaCyc02588	D-sedoheptulose-7-phosphate [D-Sedoheptulose-7-P;sedoheptulose-7-phosphate;heptulose-7-phosphate;sedoheptulose-7-P;]	C7H15O10P1	290.040283	2646-35-7	metacyc	NA	NA
+C05382	Sedoheptulose 7-phosphate	C7H15O10P	290.0403	NA	KEGG	NA	NA
+C05383	Aminosugars	C7H15O10P	290.0403	NA	KEGG	NA	NA
+C06222	Sedoheptulose 1-phosphate	C7H15O10P	290.0403	NA	KEGG	NA	NA
+C07836	D-glycero-D-manno-Heptose 7-phosphate	C7H15O10P	290.0403	NA	KEGG	NA	NA
+C07838	D-glycero-D-manno-Heptose 1-phosphate	C7H15O10P	290.0403	NA	KEGG	NA	NA
+MJ024400	1,2,3,6,8-Pentahydroxyxanthone; 2-Me ether 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024401	6,7-Dihydroxy-4-oxo-3-(3-oxo-1-butenyl)-4H-1-benzopyran-5-carboxylic acid 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024402	Citromycetin 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024403	Fulvic acid; 3-Deoxy, 3,4-didehydro 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024404	Juglomycin D; 2'-Ketone 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024405	Ventilone F 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024406	Ventilone G 	C14H10O7	290.042652	NA	MeJP	NA	NA
+MJ024407	4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 2-Deoxy, Ac 	C15H14O2S2	290.043521	NA	MeJP	NA	NA
+MJ024408	5'-(1-Butynyl)[2,2'-bithiophene]-5-methanol; Ac 	C15H14O2S2	290.043521	NA	MeJP	NA	NA
+MJ024409	Octicidin 	C5H15N4O6PS	290.044991	NA	MeJP	NA	NA
+MJ024410	Indisocin; N-Me 	C14H11ClN2O3	290.045819	NA	MeJP	NA	NA
+MJ024411	Fluindarol 	C16H9F3O2	290.055464	NA	MeJP	NA	NA
+MJ024412	4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; 4'-Hydroxy 	C18H10O4	290.057908	NA	MeJP	NA	NA
+MJ024413	Formyltanshinone 	C18H10O4	290.057908	NA	MeJP	NA	NA
+MJ024414	Pulvinic acid; Lactone 	C18H10O4	290.057908	NA	MeJP	NA	NA
+MJ024415	1,7-Heptanediol; Disulfamoyl 	C7H18N2O6S2	290.060627	NA	MeJP	NA	NA
+MJ024416	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole 	C18H11ClN2	290.061076	NA	MeJP	NA	NA
+C11111	Isoprothiolane	C12H18O4S2	290.0646	NA	KEGG	NA	NA
+MJ024417	5-(2-Chloroethyl)uracil; 1-(2-Deoxy-?-D-ribofuranosyl) 	C11H15ClN2O5	290.066949	NA	MeJP	NA	NA
+MJ024418	Tetraethyl pyrophosphate 	C8H20O7P2	290.068426	NA	MeJP	NA	NA
+JH199	Epicatechin [M+H]+	C15H14O6	290.0777	11.82	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH199	Epicatechin [M+H]+	C15H14O6	290.0777	11.82	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH199	Epicatechin [M+H]+	C15H14O6	290.0777	11.82	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH199	Epicatechin [M+H]+	C15H14O6	290.0777	11.82	Inhousejuil11	NA	NA
+C03648	cis-3,4-Leucopelargonidin	C15H14O6	290.079	NA	KEGG	NA	NA
+C03649	gamma-L-Glutamyl-acceptor	C5H9N2O3R	290.079	NA	KEGG	NA	NA
+C05907	Luteoforol	C15H14O6	290.079	NA	KEGG	NA	NA
+C06562	(+)-Catechin	C15H14O6	290.079	NA	KEGG	NA	NA
+C08739	alpha-Cotonefuran	C15H14O6	290.079	NA	KEGG	NA	NA
+C08742	2,8-Dihydroxy-3,4,7-trimethoxydibenzofuran	C15H14O6	290.079	NA	KEGG	NA	NA
+C09030	Ptaeroglycol	C15H14O6	290.079	NA	KEGG	NA	NA
+C09511	Mikanolide	C15H14O6	290.079	NA	KEGG	NA	NA
+C09727	(-)-Epicatechin	C15H14O6	290.079	NA	KEGG	NA	NA
+C09728	(+)-Epicatechin	C15H14O6	290.079	NA	KEGG	NA	NA
+C09736	Fisetinidol-4beta-ol	C15H14O6	290.079	NA	KEGG	NA	NA
+C09787	Isoplumericin	C15H14O6	290.079	NA	KEGG	NA	NA
+C09796	Plumericin	C15H14O6	290.079	NA	KEGG	NA	NA
+C14079	(-)-Catechin	C15H14O6	290.079	NA	KEGG	NA	NA
+C14080	Transferred to D02281	C15H14O6	290.079	NA	KEGG	NA	NA
+C17590	Catechin	C15H14O6	290.079	NA	KEGG	NA	NA
+FL1DACNS0001	3,4,2',4',6'-Pentahydroxydihydrochalcone	C15H14O6	290.07903	57765-66-9	knapsack	NA	NA
+FL1DHXNS0007	Nubigenol	C15H14O6	290.07903	52482-97-0	knapsack	NA	NA
+FL1DHXNS0008	3,4,2',4',alpha-Pentahydroxydihydrochalcone	C15H14O6	290.07903	222159-58-2	knapsack	NA	NA
+FL631GNS0001	Robinetinidol	C15H14O6	290.07903	528-56-3	knapsack	NA	NA
+FL631GNS0002	ent-Robinetinidol	C15H14O6	290.07903	17445-90-8	knapsack	NA	NA
+FL633CNS0001	Mesquitol	C15H14O6	290.07903	109671-55-8	knapsack	NA	NA
+FL63A8NS0001	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol	C15H14O6	290.07903	182694-29-7	knapsack	NA	NA
+FL63A9NS0002	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavan	C15H14O6	290.07903	87592-94-7	knapsack	NA	NA
+FL63ACNS0001	(+)-Catechin;D-Catechin;(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol;Dexcyanidanol;Teafuran 30A;D-Catechol;	C15H14O6	290.07903	154-23-4	knapsack	NA	NA
+FL63ACNS0002	(-)-Epicatechin	C15H14O6	290.07903	490-46-0	knapsack	NA	NA
+FL63ACNS0003	ent-Epicatechin	C15H14O6	290.07903	35323-91-2	knapsack	NA	NA
+FL63ACNS0004	ent-Catechin	C15H14O6	290.07903	18829-70-4	knapsack	NA	NA
+FL64ACNS0001	Luteoforol	C15H14O6	290.07903	24897-98-1	knapsack	NA	NA
+FL6D1CNS0001	Fisetinidol-4beta-ol	C15H14O6	290.07903	34620-73-0	knapsack	NA	NA
+FL6D1CNS0002	Fisetinidol-4alpha-ol	C15H14O6	290.07903	967-27-1	knapsack	NA	NA
+FL6D1CNS0003	Epifisetinidol-4alpha-ol	C15H14O6	290.07903	64439-33-4	knapsack	NA	NA
+FL6D1CNS0004	ent-Fisetinidol-4beta-ol	C15H14O6	290.07903	-	knapsack	NA	NA
+FL6D1CNS0005	ent-Epifisetinidol-4beta-ol	C15H14O6	290.07903	967-28-2	knapsack	NA	NA
+FL6D3ANS0001	Oritin-4beta-ol	C15H14O6	290.07903	38412-78-1	knapsack	NA	NA
+FL6D3ANS0002	Epioritin-4alpha-ol	C15H14O6	290.07903	577-30-0	knapsack	NA	NA
+FL6D3ANS0003	Epioritin-4beta-ol	C15H14O6	290.07903	16854-91-4	knapsack	NA	NA
+MJ024419	1,10:2,3-Diepoxy-4,11(13)-germacradiene-12,8:15,6-diolide 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024420	1,2,3,4,6-Dibenzofuranpentol; 1,3,4-Tri-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024421	1,2,3,4,7-Dibenzofuranpentol; 1,3,4-Tri-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024422	1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 5,6,7,8-Tetrahydro 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024423	1,8:4,5-Diepoxy-7(11),9-germacradiene-12,8:14,6-diolide 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024424	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-propanone 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024425	2',3,4,4',5-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024426	2',3,4,4',6'-Pentahydroxydihydrochalcone 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024427	2',3,5,5',7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024428	2,2',3',4,6-Pentahydroxybenzophenone; 2,4-Di-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024429	2,3',4,4',5-Pentahydroxybenzophenone; 4,4'-Di-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024430	2,3,4,6,7-Dibenzofuranpentol; 3,4,6-Tri-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024431	2,3,4,6,7-Dibenzofuranpentol; 3,4,7-Tri-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024432	2,3,4,7,8-Dibenzofuranpentol; 3,4,7-Tri-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024433	2,3-Dihydro-5-hydroxy-4-hydroxymethyl-8-methoxy-2-methylnaphtho[1,2-b]furan-6,9-dione 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024434	3',4,4',5,7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024435	3,3',4',5',7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024436	3,3',4',5,7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024437	3,3',4',7,8-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024438	3,3',4,4',7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024439	3,3',4,4',8-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024440	3,3',5,5',7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024441	3,4,4',5,7-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024442	3,4,4',7,8-Pentahydroxyflavan 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024443	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 5-O-(3-methyl-2-oxobutyl) 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024444	5,8-Dihydro-7-hydroxy-4-(2-hydroxypropyl)-5,8-dioxo-2-naphthalenecarboxylic acid, 7-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024445	5-(3,3-Dimethyloxiranyl)methoxy-6,7-methylenedioxycoumarin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024446	5-Deoxyfusarubin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024447	7-Hydroxy-2-oxo-2H-1-benzopyran-6-carboxylic acid; 2-Methylpropanoyl, Me ester 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024448	Altenusin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024449	Cartorimine 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024450	Cnidimol F 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024451	Dihydromicromelin A 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024452	Epoxydon, O-(2-Hydroxy-6-methylbenzoyl) 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024453	Fonsecin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024454	Javanicin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024455	Juglomycin Z 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024456	Marshrin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024457	Miscandenin; 1?,2?-Epoxide 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024458	Nubigenol 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024459	Obliquin, 5-Methoxy, 5'-hydroxy 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024460	Plumericin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024461	Podorugatin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024462	Ptaeroglycol 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024463	Thysanone; 1-Me ether 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024464	Ventilagol 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024465	Ventiloquinone G 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024466	cis-3,4-Leucopelargonidin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MJ024467	3-Deoxyleucocyanidin 	C15H14O6	290.079038	NA	MeJP	NA	NA
+MetaCyc02589	leucopelargonidin [cis 3,4-leucopelargonidin;]	C15H14O6	290.079038	NA	metacyc	NA	NA
+MetaCyc02590	p-coumaroyltriacetate [p-coumaroyltriacetic acid;]	C15H14O6	290.079038	NA	metacyc	NA	NA
+MetaCyc02591	2,3-trans-catechin [Cianidanol;catechin;]	C15H14O6	290.079038	NA	metacyc	NA	NA
+MetaCyc02592	2,3-cis-epicatechin [(-)-epicatechin;]	C15H14O6	290.079038	NA	metacyc	NA	NA
+HMDB01871	Epicatechin	C15H14O6	290.07904	http://www.hmdb.ca/metabolites/HMDB01871	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02780	Catechin	C15H14O6	290.07904	http://www.hmdb.ca/metabolites/HMDB02780	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01871	Epicatechin	C15H14O6	290.07904	http://www.hmdb.ca/metabolites/HMDB01871	HMDB	NA	NA
+HMDB02780	Catechin	C15H14O6	290.07904	http://www.hmdb.ca/metabolites/HMDB02780	HMDB	NA	NA
+HMDB01871	Epicatechin	C15H14O6	290.07904	http://www.hmdb.ca/metabolites/HMDB01871	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02780	Catechin	C15H14O6	290.07904	http://www.hmdb.ca/metabolites/HMDB02780	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01871	Epicatechin	C15H14O6	290.07904	HMDB01871	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02780	Catechin	C15H14O6	290.07904	HMDB02780	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01871	Epicatechin	C15H14O6	290.079041	NA	HMDB2010	NA	NA
+HMDB02780	Catechin	C15H14O6	290.079041	NA	HMDB2010	NA	NA
+JH204	Catechin [M+H]+	C15H14O6	290.0797	11.34	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH204	Catechin [M+H]+	C15H14O6	290.0797	11.34	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH204	Catechin [M+H]+	C15H14O6	290.0797	11.34	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH204	Catechin [M+H]+	C15H14O6	290.0797	11.34	Inhousejuil11	NA	NA
+MJ024468	N-(1H-Indol-3-ylacetyl)aspartic acid 	C14H14N2O5	290.090271	NA	MeJP	NA	NA
+MJ024469	Tryptophan, Na-(Carboxyacetyl) 	C14H14N2O5	290.090271	NA	MeJP	NA	NA
+MetaCyc02593	indole-3-acetyl-asp [indole-3-acetyl-aspartic acid;indole-3-acetyl-aspartate;]	C14H14N2O5	290.090272	NA	metacyc	NA	NA
+MetaCyc02594	N2-malonyl-D-tryptophan []	C14H14N2O5	290.090272	NA	metacyc	NA	NA
+C03414	N2-Malonyl-D-tryptophan	C14H14N2O5	290.0903	NA	KEGG	NA	NA
+MJ024470	N-?-Glutamylcysteine; L-L-form, S-(2-Propenyl) 	C11H18N2O5S	290.093642	NA	MeJP	NA	NA
+MJ024471	N-?-Glutamylcysteine; L-L-form, S-(E)-1-Propenyl 	C11H18N2O5S	290.093642	NA	MeJP	NA	NA
+MJ024472	N-?-Glutamylcysteine; L-L-form, S-(Z)-1-Propenyl 	C11H18N2O5S	290.093642	NA	MeJP	NA	NA
+MJ024473	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 4'-Deoxy, 3-ketone 	C19H14O3	290.094294	NA	MeJP	NA	NA
+C14213	Aurin	C19H14O3	290.0943	NA	KEGG	NA	NA
+MJ024474	3,6-Bis[(aminooxy)methyl]-2,5-piperazinedione, 1,4-Biscarbamoyl 	C8H14N6O6	290.097482	NA	MeJP	NA	NA
+MJ024475	4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-O-?-D-Glucopyranoside 	C12H18O8	290.100167	NA	MeJP	NA	NA
+MJ024476	5,6-Dihydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-?-D-Glucopyranoside 	C12H18O8	290.100167	NA	MeJP	NA	NA
+MJ024477	5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one, O-?-D-Glucopyranoside 	C12H18O8	290.100167	NA	MeJP	NA	NA
+MJ024478	5-(1-Hydroxyethyl)-2(5H)-furanone, O-?-D-Glucopyranoside 	C12H18O8	290.100167	NA	MeJP	NA	NA
+MJ024479	4-Amino-2-hydroxybenzoic acid; Compd. with isonicotinoylhydrazide 	C13H14N4O4	290.101504	NA	MeJP	NA	NA
+MJ024480	10H-Indolo[3,2-b]quinoline-11-carboxylic acid; 5H-form, N-Me, Me ester 	C18H14N2O2	290.105527	NA	MeJP	NA	NA
+MJ024481	3,6-Dibenzylidene-2,5-piperazinedione 	C18H14N2O2	290.105527	NA	MeJP	NA	NA
+MJ024482	5-Methyl-5-(3-phenanthrenyl)-2,4-imidazolidinedione 	C18H14N2O2	290.105527	NA	MeJP	NA	NA
+MJ024483	Flavocarpine 	C18H14N2O2	290.105527	NA	MeJP	NA	NA
+MJ024484	Vincarpine 	C18H14N2O2	290.105527	NA	MeJP	NA	NA
+HMDB12267	N-Succinyl-L,L-2,6-diaminopimelate	C11H18N2O7	290.111389	NA	HMDB2010	NA	NA
+C04421	N-Succinyl-LL-2,6-diaminoheptanedioate	C11H18N2O7	290.1114	NA	KEGG	NA	NA
+C04422	N6-Alkylaminopurine-7-beta-D-glucoside	C11H14N5O5R	290.1114	NA	KEGG	NA	NA
+MJ024485	N-Succinyl-LL-2,6-diaminoheptanedioate 	C11H18N2O7	290.1114	NA	MeJP	NA	NA
+MJ024486	Rhizolotine 	C11H18N2O7	290.1114	NA	MeJP	NA	NA
+MetaCyc02595	N-succinyl-L,L-2,6-diaminopimelate [N-succinyl-L-2,6-diaminoheptanedioate;N-succinyl-LL-2,6-diaminoheptanedioate;L,L-SDAP;]	C11H18N2O7	290.111401	26605-36-7	metacyc	NA	NA
+C09016	5-O-Methylvisamminol	C16H18O5	290.1154	NA	KEGG	NA	NA
+MJ024487	1-(2,4-Dihydroxy-3-methylphenyl)-3-(2,4,5-trihydroxyphenyl)propane 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024488	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol, 3''-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024489	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024490	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 15-Aldehyde, Me ester 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024491	17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024492	2,3,8,9-Tetrahydroxycadalen-14-al; 3-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024493	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-Deoxy 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024494	3-Hydroxy-1(10),4,11(13)-germacratriene-12,8:15,6-diolide, Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024495	3-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17;19,6-diolide 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024496	5,6,7-Trihydroxy-2-methyl-4H-1-benzopyran-4-one; 6-O-(3-Methyl-2-butenyl), 7-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024497	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 8-O-(3-methyl-2-butenyl) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024498	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,8-Di-Me ether, 7-O-(3-methyl-2-butenyl) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024499	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether, 5-O-(3-methyl-2-butenyl) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024500	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl), 6,8-di-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024501	6-Hydroxytremetone, 3'-Acetoxy, Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024502	6-Methoxymurraol 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024503	7-Hydroxy-6-hydroxyacetyl-2,2-dimethyl-2H-benzopyran; 7-Me ether, 2'-Ac 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024504	Citrusal; 5-Methoxy 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024505	Curvularin, 10,11-Didehydro(E-) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024506	Curvularin, 10,11-Didehydro(Z-) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024507	Fissohamione 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024508	Fraxinellone; 12?-Acetoxy 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024509	Glaziovianol 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024510	Heteropeucenin; ?3',4'-Isomer, 2'-hydroxy, 7-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024511	Murrangatin, 1'-Me ether, diastereomer(1) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024512	Murrangatin, 1'-Me ether, diastereomer(2) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024513	Murrangatin, 1'-Me ether, diastereomer(3) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024514	Murrangatin, 1'-Me ether, diastereomer(4) 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024515	Mycoepoxydiene 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024516	Omphamurin 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024517	Resorcylide 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024518	Sibiricin 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024519	Toddalenol 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024520	Toddalolactone; 3'-Deoxy, 2'-Ketone 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024521	Toddalolactone; 3'-Deoxy, 3',4'-didehydro 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024522	Vallapin; 15-Hydroxy 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024523	Visamminol, 5-Me ether 	C16H18O5	290.115423	NA	MeJP	NA	NA
+MJ024524	Carbinoxamine 	C16H19ClN2O	290.11859	NA	MeJP	NA	NA
+C06871	Carbinoxamine	C16H19ClN2O	290.1186	NA	KEGG	NA	NA
+C03406	N-(L-Arginino)succinate	C10H18N4O6	290.1226	NA	KEGG	NA	NA
+C03407	N-Acetyl-beta-endorphin	C10H18N4O6	290.1226	NA	KEGG	NA	NA
+PJ000184	GSQ 	C10H18N4O6	290.1226	NA	PeJP	NA	NA
+HMDB00052	Argininosuccinic acid	C10H18N4O6	290.12262	http://www.hmdb.ca/metabolites/HMDB00052	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00052	Argininosuccinic acid	C10H18N4O6	290.12262	http://www.hmdb.ca/metabolites/HMDB00052	HMDB	NA	NA
+HMDB00052	Argininosuccinic acid	C10H18N4O6	290.12262	Aromatic/Heterocyclic glycine conjugates  ;SYN:((2-hydroxybenzoyl)amino)acetic acid; (2-Hydroxybenzoyl)glycine; 2-Hydroxybenzoylglycine; 2-Hydroxyhippurate; 2-Hydroxyhippuric acid; 2-hydroxybenzoylaminoacetate; 2-hydroxybenzoylaminoacetic acid; N-(2-Hydroxybenzoyl)-glycine; N-Salicyloylglycine; N-o-Hydroxybenzoylglycine; Salicylglycine; Salicyloylglycine; Salicylurate; Salicyluric acid; [(2-Hydroxybenzoyl)amino]acetate; [(2-Hydroxybenzoyl)amino]acetic acid; o-Hydroxyhippurate; o-Hydroxyhippuric acid; o-hydroxy-Hippurate; o-hydroxy-Hippuric acid; ortho-Hydroxyhippurate; ortho-Hydroxyhippuric acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00052	Argininosuccinic acid	C10H18N4O6	290.12262	http://www.hmdb.ca/metabolites/HMDB00052	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00052	Argininosuccinic acid	C10H18N4O6	290.12262	HMDB00052	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00052	Argininosuccinic acid	C10H18N4O6	290.12262	NA	HMDB2010	NA	NA
+MJ024525	N-(L-Arginino)succinate 	C10H18N4O6	290.122634	NA	MeJP	NA	NA
+MJ024526	Arginine, N2-(3-Carboxy-2-hydroxypropanoyl) 	C10H18N4O6	290.122634	NA	MeJP	NA	NA
+MJ024527	Arginine, N2-(3-Carboxy-3-hydroxypropanoyl) 	C10H18N4O6	290.122634	NA	MeJP	NA	NA
+MJ024528	Argininosuccinic acid 	C10H18N4O6	290.122634	NA	MeJP	NA	NA
+MJ024529	Glutaminylserylglycine; L-L-form 	C10H18N4O6	290.122634	NA	MeJP	NA	NA
+MetaCyc02596	L-arginino-succinate [N-(L-arginino)-succinate;arginino-succinate;]	C10H18N4O6	290.122634	NA	metacyc	NA	NA
+PJ000185	GGGT 	C10H18N4O6	290.1227	NA	PeJP	NA	NA
+HMDB06867	S-(3-Methylbutanoyl)-dihydrolipoamide-E	C13H24NO2S2	290.12485	http://www.hmdb.ca/metabolites/HMDB06867	HMDB	NA	NA
+HMDB06869	S-(2-Methylbutanoyl)-dihydrolipoamide-E	C13H24NO2S2	290.12485	http://www.hmdb.ca/metabolites/HMDB06869	HMDB	NA	NA
+HMDB06867	S-(3-Methylbutanoyl)-dihydrolipoamide-E	C13H24NO2S2	290.12485	HMDB06867	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06869	S-(2-Methylbutanoyl)-dihydrolipoamide-E	C13H24NO2S2	290.12485	HMDB06869	PFEM_hmdb_metabocards_official	NA	NA
+MJ024530	Tomaymycin; 11-O-De-Me 	C15H18N2O4	290.126657	NA	MeJP	NA	NA
+MJ024531	2-(4-Methyl-1,3-pentadienyl)anthraquinone; 1',2'-Dihydro 	C20H18O2	290.130679	NA	MeJP	NA	NA
+MJ024532	Furodysin, 14-(Acetylmercapto) 	C17H22O2S	290.13405	NA	MeJP	NA	NA
+MJ024533	Furodysinin, 14-(Acetylthio) 	C17H22O2S	290.13405	NA	MeJP	NA	NA
+MJ024534	D-glycero-L-manno-Heptose; ?-Furanose-form, 2,3:6,7-Di-O-isopropylidene 	C13H22O7	290.136553	NA	MeJP	NA	NA
+MJ024535	Sarcobiose 	C13H22O7	290.136553	NA	MeJP	NA	NA
+MJ024536	Trimethoprim 	C14H18N4O3	290.13789	NA	MeJP	NA	NA
+C01965	Trimethoprim	C14H18N4O3	290.1379	NA	KEGG	NA	NA
+C10896	Benlate	C14H18N4O3	290.1379	NA	KEGG	NA	NA
+C10734	Pteleatine	C16H20NO4	290.1392	NA	KEGG	NA	NA
+C10735	Ribalinium	C16H20NO4	290.1392	NA	KEGG	NA	NA
+MJ024537	Nitracidomycin B 	C12H22N2O6	290.147786	NA	MeJP	NA	NA
+C09492	Laurenobiolide	C17H22O4	290.1518	NA	KEGG	NA	NA
+C09564	Tulipinolide	C17H22O4	290.1518	NA	KEGG	NA	NA
+C09566	epi-Tulipinolide	C17H22O4	290.1518	NA	KEGG	NA	NA
+C17746	1-Dehydro-[6]-gingerdione	C17H22O4	290.1518	NA	KEGG	NA	NA
+MJ024538	1,10-Epoxyfuranoeremophilan-3-ol, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024539	1,10-Epoxyfuranoeremophilan-6-ol, 6-Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024540	1,13,14-Trihydroxy-8,11,13-podocarpatrien-7-one 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024541	1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-2-methyl-1-propanone; 3'-Methyl 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024542	1-(5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-methyl-1-butanone; 5-Me ether 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024543	1-(5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methyl-1-butanone; 5-Me ether 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024544	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024545	1-Hydroxy-8-oxo-6,9-eremophiladien-12-al, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024546	1-Hydroxy-9,11-germacradien-15,6-olide, 4,5-Didehydro, 1-Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024547	12-Hydroxy-1-oxo-4,10(14)-bicyclogermacradien-15-al, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024548	14-Hydroxy-4(15),9-guaiadien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024549	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024550	15-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024551	15-Hydroxy-3,10(14)-guaiadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024552	15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024553	2,3-Epoxy-14-hydroxy-5-africanen-4-one, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024554	2-Hydroxy-2,5,10-bisabolatriene-1,4-dione; Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024555	2-Hydroxy-4(15),11(13)-eudesmadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024556	2-Hydroxy-4,11(13)-eudesmadien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024557	3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024558	3,8-Dihydroxy-9,15-heptadecadiene-11,13-diynoic acid 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024559	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3-Methyl-2-butenyl), 3'-Me ether, 1-Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024560	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, ?5'-Isomer, 7'-hydroperoxy, 1-aldehyde 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024561	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, ?7'-Isomer, 6'-hydroperoxy, 1-aldehyde 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024562	3-Heptyl-6,8-dihydroxy-1H-2-benzopyran-1-one; 6-Me ether 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024563	3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024564	3-Hydroxy-1(5),11(13)-guaiadien-12,8-olide, ?5,6 isomer, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024565	3-Hydroxy-1(5),11(13)-guaiadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024566	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024567	3-Hydroxy-4,11(13)-eudesmadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024568	3-Hydroxy-4,11(13)-guaiadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024569	3-Hydroxy-4,7(11)-amorphadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024570	3-Hydroxy-4,9,11(13)-cadinatrien-12-oic acid, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024571	3-Hydroxy-4,9,11(13)-muurolatrien-12-oic acid, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024572	3-Hydroxy-5,11(13)-ivaxallaradien-12-oic acid; Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024573	4-Hydroxy-1(10),11(13)-guaiadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024574	5-Hydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024575	5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, 5-Deoxy, 2-acetoxy 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024576	6,11-Epoxy-15-hydroxy-5,10-pinguisadien-3-one; Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024577	6-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024578	6-Hydroxy-4,11(13)-eudesmadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024579	6-Hydroxyfuranoeremophilan-9-one, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024580	7,13-Dioxo-8(14)-podocarpen-18-oic acid 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024581	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024582	8-Hydroxy-1,3,11(13)-elematrien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024583	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024584	9-Hydroxy-4,11(13)-eudesmadien-12,6-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024585	9-Hydroxy-4,11(13)-eudesmadien-12,8-olide, Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024586	?-Cannabispiranol; 4-Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024587	Alliodorol, Carboxylic acid, Me ether 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024588	Clavirin I 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024589	Furanoeremophilane-1,6-diol, 1-Ketone, 6-Ac 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024590	Gingerdiones; [6]Gingerdione, 1',2'-Didehydro 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024591	Isoplagiochilide; 15-Acetoxy 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024592	Kushequinone A 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024593	Oudemansin; Oudemansin A 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024594	Subexpinnatin C 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024595	Tavacbutenolide 1 	C17H22O4	290.151809	NA	MeJP	NA	NA
+MJ024596	Tavacbutenolide 2 	C17H22O4	290.151809	NA	MeJP	NA	NA
+C14410	Phenbenzamine hydrochloride	C17H22N2	290.155	NA	KEGG	NA	NA
+CJpos0700	Methylglutarylcarnitine isomer [(M+H)]+ (13C)	C1213CH24NO6	290.155375	C18rt(min)=4.7 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0701	Methylglutarylcarnitine isomer [(M+H)]+ (13C)	C1213CH24NO6	290.155375	C18rt(min)=4.83 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0702	Adipoylcarnitine [(M+H)]+ (13C)	C1213CH24NO6	290.155375	C18rt(min)=5.25 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0700	Methylglutarylcarnitine isomer [(M+H)]+ (13C)	C1213CH24NO6	290.155375	C18rt(min)=4.7 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0701	Methylglutarylcarnitine isomer [(M+H)]+ (13C)	C1213CH24NO6	290.155375	C18rt(min)=4.83 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0702	Adipoylcarnitine [(M+H)]+ (13C)	C1213CH24NO6	290.155375	C18rt(min)=5.25 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ000186	GSK 	C11H22N4O5	290.159	NA	PeJP	NA	NA
+MJ024597	Inthomycin 	C16H22N2O3	290.163042	NA	MeJP	NA	NA
+MJ024598	Procaterol 	C16H22N2O3	290.163042	NA	MeJP	NA	NA
+MJ024599	1-Octen-3-ol, O-?-D-Glucopyranoside 	C14H26O6	290.172938	NA	MeJP	NA	NA
+MJ024600	Cartazolate 	C15H22N4O2	290.174275	NA	MeJP	NA	NA
+MJ024601	Aristolasene 	C20H22N2	290.178298	NA	MeJP	NA	NA
+MJ024602	Azatadine 	C20H22N2	290.178298	NA	MeJP	NA	NA
+MJ024603	Erizepine 	C20H22N2	290.178298	NA	MeJP	NA	NA
+MJ024604	C-Isodihydrotoxiferine I 	C20H23N2(+)	290.178298	NA	MeJP	NA	NA
+C07774	Azatadine	C20H22N2	290.1783	NA	KEGG	NA	NA
+C07775	Transferred to D00662	C20H22N2	290.1783	NA	KEGG	NA	NA
+C07776	Transferred to D00663	C20H22N2	290.1783	NA	KEGG	NA	NA
+MJ024605	Azabuperone 	C17H23FN2O	290.179441	NA	MeJP	NA	NA
+MJ024606	1-Silphinene-3,5-diol; 3-Ketone, 5-propanoyl 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024607	12-Hydroxy-6,9,11-dodecatrienoic acid, 1,3-Hexadienyl ether(Z,Z-) 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024608	14,15-Dinor-13-oxo-8(17),11-labdadien-19-oic acid 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024609	2-Cyclohexyl-2-hydroxy-2-phenylacetic acid, 2-Methylpropyl ester 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024610	3,19-Dinor-4-oxo-2,3-seco-15-beyeren-2-oic acid; ent-form 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024611	3,8-Calamenenediol, 3-Me ether, 8-Ac 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024612	3-(4-Hydroxyphenyl)-2-propenoic acid, Me ether, 2-ethylhexyl ester 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024613	4,17-Dihydroxyestr-4-en-3-one; 17?-form 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024614	4-Oxo-9,11,13,15-octadecatetraenoic acid 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024615	5-Hydroxy-2-nonyl-4H-1-benzopyran-4-one; 2,3-Dihydro 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024616	5-Octadecene-7,9-diynoic acid, 5?,6?-Epoxide 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024617	8,11,13-Podocarpatriene-1,13,14-triol, 13-Me ether 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024618	8-Hydroxy-13-octadecene-9,11-diynoic acid 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024619	8-Hydroxy-17-octadecene-10,12-diynoic acid 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024620	8-Hydroxy-17-octadecene-9,11-diynoic acid 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024621	8-Oxo-9,11-octadecadiynoic acid 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024622	9,17-Octadecadiene-12,14-diyne-1,11,16-triol 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024623	Antibiotic ML 236A; 8-Deoxy 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024624	Chromomoric acid C 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024625	Ecklonialactone A 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024626	Inocoterone; Ac 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024627	Luffarin Z 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024628	Obtusilactone; (E)-Isomer, Me ether, 11',12'-didehydro 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024629	Tanzawaic acid C 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024630	Trisporic acid C; Deoxy 	C18H26O3	290.188194	NA	MeJP	NA	NA
+MJ024631	Trisporol B 	C18H26O3	290.188194	NA	MeJP	NA	NA
+C14043	ML-236C	C18H26O3	290.1882	NA	KEGG	NA	NA
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR471	Thromboxane B2 F4	NA	290.190125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR471	Thromboxane B2 F4	NA	290.190125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR471	Thromboxane B2 F4	NA	290.190125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR471	Thromboxane B2 F4	NA	290.190125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR471	Thromboxane B2 F4	F4	290.190125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR477	15ketoProstaglandinF2? F4	NA	290.192225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR477	15ketoProstaglandinF2? F4	NA	290.192225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR477	15ketoProstaglandinF2? F4	NA	290.192225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR477	15ketoProstaglandinF2? F4	NA	290.192225	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR477	15ketoProstaglandinF2? F4	F4	290.192225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ024632	Gentamine C1a 	C12H26N4O4	290.195405	NA	MeJP	NA	NA
+MJ024633	Sannamycin E; N-De-Me 	C12H26N4O4	290.195405	NA	MeJP	NA	NA
+C16573	3'-Hydroxyropivacaine	C17H26N2O2	290.1994	NA	KEGG	NA	NA
+C16574	4'-Hydroxyropivacaine	C17H26N2O2	290.1994	NA	KEGG	NA	NA
+MJ024634	N,N,N'-Trimethyl-N'-(4-hydroxycinnamoyl)putrescine, Me ether 	C17H26N2O2	290.199428	NA	MeJP	NA	NA
+MJ024635	Paridocaine 	C17H26N2O2	290.199428	NA	MeJP	NA	NA
+MJ024636	3-Docosene-1,11,13,15,21-pentayne, Dihydro 	C22H26	290.20345	NA	MeJP	NA	NA
+C07546	Succinylcholine	C14H30N2O4	290.2206	NA	KEGG	NA	NA
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR461	Dehydrotestosterone glucuronide F6	NA	290.222575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR461	Dehydrotestosterone glucuronide F6	NA	290.222575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR461	Dehydrotestosterone glucuronide F6	NA	290.222575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR461	Dehydrotestosterone glucuronide F6	NA	290.222575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR461	Dehydrotestosterone glucuronide F6	F6	290.222575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0703	Androsterone glucuronide [(M+H)-(C6H8O6)]+	C19H31O2	290.224075	C18rt(min)=8.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0703	Androsterone glucuronide [(M+H)-(C6H8O6)]+	C19H31O2	290.224075	C18rt(min)=8.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00031	Androsterone	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB00365	Epiandrosterone	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB00490	Etiocholanolone	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB00546	Epietiocholanolone	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB02961	Dihydrotestosterone	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB03818	Androst-5-ene-3b,17b-diol	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB05849	4-Androstenediol	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB06770	5b-Dihydrotestosterone	C19H30O2	290.224579	NA	HMDB2010	NA	NA
+HMDB00031	Androsterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00031	PFEM_hmdb_metabocards_urine	NA	urine
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00031	Androsterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00031	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00365	Epiandrosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00365	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00490	Etiocholanolone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00490	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00546	Epietiocholanolone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00546	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02961	Dihydrotestosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB02961	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00031	Androsterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00031	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00031	Androsterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00031	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00031	Androsterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00031	HMDB	NA	NA
+HMDB00365	Epiandrosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00365	HMDB	NA	NA
+HMDB00490	Etiocholanolone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00490	HMDB	NA	NA
+HMDB00546	Epietiocholanolone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00546	HMDB	NA	NA
+HMDB02961	Dihydrotestosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB02961	HMDB	NA	NA
+HMDB03818	Androst-5-ene-3beta,17beta-diol	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB03818	HMDB	NA	NA
+HMDB05849	4-Androstenediol	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB05849	HMDB	NA	NA
+HMDB06770	 5beta-Dihydrotestosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB06770	HMDB	NA	NA
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	HMDB	NA	NA
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	Inhouse_PFEM	NA	NA
+MJ024637	5alpha-Androstane-3beta,17beta-diol 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024638	17beta-Hydroxyandrostan-3-one 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024639	3alpha-Hydroxy-5beta-androstan-17-one 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024640	5beta-Dihydrotestosterone 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024641	Androsterone 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024642	1-Hydroxy-2,5,10-nonadecatrien-4-one, Aldehyde 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024643	1-Hydroxy-2,5,12-nonadecatrien-4-one, Aldehyde 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024644	1-Hydroxy-2,5,14-nonadecatrien-4-one, Aldehyde 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024645	13-Phenyltridecanoic acid 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024646	15-Nor-9,10-seco-5(10),8,11-labdatrien-14-oic acid 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024647	17-Hydroxyandrostan-3-one 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024648	18-Hydroxy-15-nor-8(17),12-labdadien-14-al 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024649	19-Nor-3,5-clerodadien-15-ol, 15-Carboxylic acid 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024650	19-Nor-8(17),13-labdadien-15-oic acid 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024651	3,5,10-Bisabolatrien-12-ol; 2-Methylpropanoyl 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024652	3-Hydroxy-17-nor-8-pimaren-15-one 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024653	3-Hydroxyandrostan-17-one 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024654	5,8,11,14,17-Nonadecapentaenoic acid, 17,18-Dihydro 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024655	5-(8-Tridecenyl)-1,3-benzenediol 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024656	8,13-Epoxy-3-nor-14-colensen-2-one 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024657	Androst-5-ene-3,17-diol 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024658	Glaciolide 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024659	Gracilin A; 16-Deacetoxy, O15-de-Ac 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MJ024660	Sterculynic acid 	C19H30O2	290.22458	NA	MeJP	NA	NA
+MetaCyc02597	3-&alpha;-hydroxy-5-&beta;-androstane-17-one []	C19H30O2	290.22458	53-42-9	metacyc	NA	NA
+MetaCyc02598	17-&beta;-hydroxyandrostan-3-one []	C19H30O2	290.22458	521-18-6	metacyc	NA	NA
+MetaCyc02599	17-&beta;-hydroxy-5&alpha;-androstan-3-one [17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16, 17-hexadecahydrocyclopenta[a]phenanthren-3-one;]	C19H30O2	290.22458	NA	metacyc	NA	NA
+MetaCyc02600	16-oxosteroid [3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one;]	C19H30O2	290.22458	NA	metacyc	NA	NA
+MetaCyc02601	androsterone []	C19H30O2	290.22458	NA	metacyc	NA	NA
+HMDB00031	Androsterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00031	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00365	Epiandrosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00365	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00490	Etiocholanolone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00490	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00546	Epietiocholanolone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB00546	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02961	Dihydrotestosterone	C19H30O2	290.22458	http://www.hmdb.ca/metabolites/HMDB02961	PFEM_hmdb_metabocards_blood	NA	blood
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR099	Dihydrotestosterone	C19H30O2	290.22458	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00031	Androsterone	C19H30O2	290.22458	HMDB00031	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00365	Epiandrosterone	C19H30O2	290.22458	HMDB00365	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00490	Etiocholanolone	C19H30O2	290.22458	HMDB00490	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00546	Epietiocholanolone	C19H30O2	290.22458	HMDB00546	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02961	Dihydrotestosterone	C19H30O2	290.22458	HMDB02961	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03818	Androst-5-ene-3beta,17beta-diol	C19H30O2	290.22458	HMDB03818	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05849	4-Androstenediol	C19H30O2	290.22458	HMDB05849	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06770	 5beta-Dihydrotestosterone	C19H30O2	290.22458	HMDB06770	PFEM_hmdb_metabocards_official	NA	NA
+EUR099	Dihydrotestosterone	C19H30O2	290.2246	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR099	Dihydrotestosterone	C19H30O2	290.2246	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR099	Dihydrotestosterone	C19H30O2	290.2246	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR099	Dihydrotestosterone	C19H30O2	290.2246	Wishlist	Inhousejuil11	NA	NA
+C00523	Androsterone	C19H30O2	290.2246	NA	KEGG	NA	NA
+C00524	Cytochrome c	C42H44FeN8O8S2R4	290.2246	NA	KEGG	NA	NA
+C01986	16-Oxosteroid	C19H30O2	290.2246	NA	KEGG	NA	NA
+C03917	Dihydrotestosterone	C19H30O2	290.2246	NA	KEGG	NA	NA
+C04295	Androst-5-ene-3beta,17beta-diol	C19H30O2	290.2246	NA	KEGG	NA	NA
+C04373	3alpha-Hydroxy-5beta-androstan-17-one	C19H30O2	290.2246	NA	KEGG	NA	NA
+C04375	4-N-(N-Acetyl-D-glucosaminyl)-protein	C13H20N4O8R2	290.2246	NA	KEGG	NA	NA
+C05293	5beta-Dihydrotestosterone	C19H30O2	290.2246	NA	KEGG	NA	NA
+C07635	Epiandrosterone	C19H30O2	290.2246	NA	KEGG	NA	NA
+C14210	4-Androstenediol	C19H30O2	290.2246	NA	KEGG	NA	NA
+C14631	5-Androstene-3beta,16alpha-diol	C19H30O2	290.2246	NA	KEGG	NA	NA
+C14932	11beta-Hydroxy-5alpha-androstan-17-one	C19H30O2	290.2246	NA	KEGG	NA	NA
+C15326	17beta-Hydroxy-2alpha-methyl-5alpha-estran-3-one	C19H30O2	290.2246	NA	KEGG	NA	NA
+C15442	5-Androstene-3beta,16beta-diol	C19H30O2	290.2246	NA	KEGG	NA	NA
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR453	Androsterone glucuronide F4	NA	290.226775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR453	Androsterone glucuronide F4	NA	290.226775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR453	Androsterone glucuronide F4	NA	290.226775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR453	Androstérone glucuronide F4	F4	290.226775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR453	Androsterone glucuronide F4	NA	290.226775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR453	Androsterone glucuronide F4	F4	290.226775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ024661	3-Pyridinetridecanal; Oxime 	C18H30N2O	290.235813	NA	MeJP	NA	NA
+MJ024662	1,6,10,14-Phytatetraen-3-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024663	11,13-Labdadien-8-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024664	11-Sphaeroen-7-ol; 7?-form 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024665	12,14-Labdadien-8-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024666	13(16),14-Labdadien-8-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024667	15-Erythroxylen-4-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024668	15-Isopimaren-12-ol; 12?-form 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024669	15-Isopimaren-8-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024670	15-Pimaren-8-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024671	15-Rosen-5-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024672	16-Kauranol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024673	16-Phyllocladanol; 16?-form 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024674	16-Stemodanol; 16?-form 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024675	17-Cneoruben-10-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024676	19(4?5)-Abeo-8(17),14-labdadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024677	2,6,10,14-Phytatetraen-1-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024678	2,7,11-Cembratrien-4-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024679	2-(2,5,7-Octatrienyl)-3-decyloxirane 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024680	2-Valparen-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024681	2-Verrucosanol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024682	3,13-Clerodadien-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024683	3,14-Clerodadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024684	3,17-Sphenolobadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024685	3,5-Seco-2-verrucosen-5-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024686	3,7,11-Cembratrien-1-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024687	3,7,11-Cembratrien-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024688	3,7,11-Cembratrien-2-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024689	3,7-Dolabelladien-18-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024690	4(18),13-Clerodadien-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024691	4(18),14-Clerodadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024692	4,8-Dolabelladien-18-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024693	5-Neoverrucosanol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024694	7,13-Labdadien-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024695	7,14-Labdadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024696	8(12),17-Sacculatadien-11-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024697	8(17),12-Labdadien-3-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024698	8(17),13-Labdadien-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024699	8(17),14-Labdadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024700	8,11,13-Cembratrien-4-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024701	8,13-Epoxy-14-labdene 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024702	8,13-Labdadien-15-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024703	8,14-Labdadien-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024704	9,12-Cyclomulin-13-ol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024705	9-Geranyl-?-terpineol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024706	Anisotomenoic acid; 1-Alcohol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024707	Barekoxide 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024708	Caulerpol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024709	Dictyotin B 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024710	Dilophol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024711	Helipterol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024712	Isotrixagol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024713	Magydartrienol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024714	Obscuronatin 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024715	Palmatol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024716	Tetrahydro-4-isopropyl-1,8a-dimethyl-5-methylene-1-phenanthrol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024717	Trixagol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024718	Umabanol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024719	Verticillol 	C20H34O	290.260965	NA	MeJP	NA	NA
+MJ024720	Zaatirin 	C20H34O	290.260965	NA	MeJP	NA	NA
+C09094	Geranylgeraniol	C20H34O	290.261	NA	KEGG	NA	NA
+C11890	Aphidicolan-16beta-ol	C20H34O	290.261	NA	KEGG	NA	NA
+C15316	5alpha-Androstane-2alpha-methyl-17beta-ol	C20H34O	290.261	NA	KEGG	NA	NA
+MJ024721	Theonelladine C; N-Me 	C19H34N2	290.272199	NA	MeJP	NA	NA
+MJ024722	3,6,9-Heneicosatriene 	C21H38	290.297351	NA	MeJP	NA	NA
+MJ024723	Oxo[[1,1'-[[1,2-ethanediyl]diimino]bis[ethanedithiolato]](3-)]technetium 	C6H13N2OS2Tc	290.954145	NA	MeJP	NA	NA
+MJ024724	1-[2-Chloro-2-(2,6-dichlorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine 	C11H12Cl3N3	291.00968	NA	MeJP	NA	NA
+MJ024725	Brimonidine 	C11H10BrN5	291.011957	NA	MeJP	NA	NA
+C07886	Brimonidine	C11H10BrN5	291.012	NA	KEGG	NA	NA
+MJ024726	N?-Phosphosulfamylornithine 	C5H14N3O7PS	291.029007	NA	MeJP	NA	NA
+MJ024727	Lobenzarit 	C14H10ClNO4	291.029835	NA	MeJP	NA	NA
+C06604	Parathion	C10H14NO5PS	291.033	NA	KEGG	NA	NA
+HMDB01355	Parathion	C10H14NO5PS	291.03302	http://www.hmdb.ca/metabolites/HMDB01355	HMDB	NA	NA
+HMDB01355	Parathion	C10H14NO5PS	291.03302	HMDB01355	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01355	Parathion	C10H14NO5PS	291.03302	NA	HMDB2010	NA	NA
+MJ024728	Parathion 	C10H14NO5PS	291.033029	NA	MeJP	NA	NA
+MetaCyc02602	parathion [ethyl parathion;parthion;alkron;Paraphos;Foliclal;Fosferno;Fostox;Rhodiatox;O,O-diethyl O-p-nitrophenyl phosphorothioate;diethyl-p-nitrophenyl monothiophosphate;DNTP;SNP;E 605;ac 3422;Alleron;Aphamite;Etilon;Folidol;Phoskil;deoxynucleoside 5'-triphosphate;Parathion-E;Aqua 9-Parathion;Bladen;Phosphorothioic acid O,O-diethyl-O-(4-nitrophenyl) ester;diethyl p-nitrophenyl thiophosphate;O,O-diethyl-O-(p-nitrophenyl)thionophosphate;diethylparathion;p-nitrophenol O-ester with O,O-diethylphosphorothioate;AAT;AATP;acc 3422;american cyanamid 3422;Aralo;B 404;bay e-605;bayer e-605;bladan f;compound 3422;corothion;corthione;danthion;ecatox;fosfive;fosova;fostern;genithion;kolphos;kypthion;lirothion;murfos;nitrostygmine;niuif-100;nourithion;oleofos 20;oleoparathion;Orthophos;panthion;Paramar;paramar 50;parathene;Parawet;pestox plus;pethion;phosphemol;phosphenol;phosphostigmine;RB;stabilized ethyl parathion;stathion;strathion;sulfos;T-47;thiophos 3422;TOX 47;vapophos;diethyl para-nitrophenol thiophosphate;diethyl 4-nitrophenyl phosphorothionate;diethyl p-nitrophenyl thionophosphate;drexel parathion 8E;E 605 F;e 605 forte;ekatin wf & wf ulv;ekatox;ethlon;folidol e605;folidol e & e 605;folidol oil;fosfermo;fosfex;gearphos;lethalaire g-54;oleoparaphene;OMS 19;PAC;Pacol;Paradust;rhodiasol;rhodiatrox;selephos;sixty-three special e.c.;soprathion;super rodiatox;vitrex;penncap e;thiomex;tiofos;Viran;Durathion;Thionspray No.84;Bladan;Diethyl O-p-nitrophenyl phosphorothioate;Fosferno 50;Niran;Ethyl parathion (O,O-diethyl-O-p-nitrophenylthiophosphate);]	C10H14N1O5P1S1	291.03303	56-38-2	metacyc	NA	NA
+MJ024729	Cepharadione A; N-De-Me 	C17H9NO4	291.053157	NA	MeJP	NA	NA
+MJ024730	Lanuginosine; O-De-Me 	C17H9NO4	291.053157	NA	MeJP	NA	NA
+MJ024731	Liriodenine; 10-Hydroxy 	C17H9NO4	291.053157	NA	MeJP	NA	NA
+MJ024732	Liriodenine; 11-Hydroxy 	C17H9NO4	291.053157	NA	MeJP	NA	NA
+MJ024733	Oxolaureline; O-De-Me 	C17H9NO4	291.053157	NA	MeJP	NA	NA
+C15433	1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione	C17H9NO4	291.0532	NA	KEGG	NA	NA
+MJ024734	Carinamide 	C14H13NO4S	291.056528	NA	MeJP	NA	NA
+MJ024735	Indatraline 	C16H15Cl2N	291.058154	NA	MeJP	NA	NA
+MJ024736	Zomepirac 	C15H14ClNO3	291.066221	NA	MeJP	NA	NA
+MJ024737	Amidapsone 	C13H13N3O3S	291.067761	NA	MeJP	NA	NA
+MJ024738	Collismycin, S-Oxide 	C13H13N3O3S	291.067761	NA	MeJP	NA	NA
+MJ024739	Epoxyquinomicin C 	C14H13NO6	291.074287	NA	MeJP	NA	NA
+MJ024740	Lycoricidine 	C14H13NO6	291.074287	NA	MeJP	NA	NA
+MJ024741	Rhoifolinic acid, Di-Me ester 	C14H13NO6	291.074287	NA	MeJP	NA	NA
+C08531	Lycoricidine	C14H13NO6	291.0743	NA	KEGG	NA	NA
+HMDB02354	Hawkinsin	C11H17NO6S	291.077667	NA	HMDB2010	NA	NA
+HMDB02354	Hawkinsin	C11H17NO6S	291.07767	http://www.hmdb.ca/metabolites/HMDB02354	HMDB	NA	NA
+HMDB02354	Hawkinsin	C11H17NO6S	291.07767	HMDB02354	PFEM_hmdb_metabocards_official	NA	NA
+MJ024742	Prontosil 	C12H13N5O2S	291.078995	NA	MeJP	NA	NA
+C07573	Prontosil	C12H13N5O2S	291.079	NA	KEGG	NA	NA
+MJ024743	Crufomate 	C12H19ClNO3P	291.079107	NA	MeJP	NA	NA
+MJ024744	Cloranolol 	C13H19Cl2NO2	291.079284	NA	MeJP	NA	NA
+MJ024745	4-Nitrotryptophan, N-Ac 	C13H13N3O5	291.08552	NA	MeJP	NA	NA
+MJ024746	Anonaine, 6a,7-Didehydro, N-formyl 	C18H13NO3	291.089543	NA	MeJP	NA	NA
+MJ024747	Bianfugecine 	C18H13NO3	291.089543	NA	MeJP	NA	NA
+MJ024748	Liriodendronine; O2,N-Di-Me 	C18H13NO3	291.089543	NA	MeJP	NA	NA
+MJ024749	Lysicamine 	C18H13NO3	291.089543	NA	MeJP	NA	NA
+MJ024750	Pareitropone 	C18H13NO3	291.089543	NA	MeJP	NA	NA
+C04521	2,7-Anhydro-alpha-N-acetylneuraminic acid	C11H17NO8	291.0954	NA	KEGG	NA	NA
+C04580	2-Deoxy-2,3-dehydro-N-acetylneuraminic acid	C11H17NO8	291.0954	NA	KEGG	NA	NA
+C08341	Sarmentosin epoxide	C11H17NO8	291.0954	NA	KEGG	NA	NA
+MJ024751	4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, 2,3-Epoxide, nitrile, 4-O-?-D-glucopyranoside 	C11H17NO8	291.095416	NA	MeJP	NA	NA
+MJ024752	4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile, 2S,3R-epoxide, O-?-D-glucopyranoside 	C11H17NO8	291.095416	NA	MeJP	NA	NA
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR229	Acide sialique F3	NA	291.096075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR229	Acide sialique F3	NA	291.096075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR229	Acide sialique F3	NA	291.096075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR229	Acide sialique F3	NA	291.096075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR229	Sialic acid F3	F3	291.096075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ024753	Carprazidil 	C12H13N5O4	291.096753	NA	MeJP	NA	NA
+MJ024754	Sangivamycic acid; Nitrile 	C12H13N5O4	291.096753	NA	MeJP	NA	NA
+MJ024755	Circumdatin C; Deoxy 	C17H13N3O2	291.100776	NA	MeJP	NA	NA
+MJ024756	Fasudil 	C14H17N3O2S	291.104147	NA	MeJP	NA	NA
+PJ000187	GSE 	C10H17N3O7	291.1067	NA	PeJP	NA	NA
+MJ024757	Actiphenol; 1'''-Hydroxy 	C15H17NO5	291.110672	NA	MeJP	NA	NA
+MJ024758	Actiphenol; 1'-Hydroxy 	C15H17NO5	291.110672	NA	MeJP	NA	NA
+MJ024759	Actiphenol; 3-Hydroxy (3,4-trans-) 	C15H17NO5	291.110672	NA	MeJP	NA	NA
+MJ024760	Mescaline succinimide; 3,4-Didehydro 	C15H17NO5	291.110672	NA	MeJP	NA	NA
+MJ024761	Nong-kang 101-F 	C15H17NO5	291.110672	NA	MeJP	NA	NA
+MJ024762	Obscurolide A3; 1''-Carboxylic acid 	C15H17NO5	291.110672	NA	MeJP	NA	NA
+MJ024763	Diethylthiambutene 	C16H21NS2	291.111541	NA	MeJP	NA	NA
+MJ024764	Annomontine; 6-Methoxy 	C16H13N5O	291.11201	NA	MeJP	NA	NA
+C13721	Cyanotriphenylborate	C19H15BN	291.1195	NA	KEGG	NA	NA
+PJ000188	SW 	C14H17N3O4	291.1219	NA	PeJP	NA	NA
+MetaCyc02603	7,2'-dihydroxy-4'-methoxy-isoflavanol carbocation intermediate 2 []	C16H19O5	291.123249	NA	metacyc	NA	NA
+PJ000189	AAM 	C11H21N3O4S	291.1253	NA	PeJP	NA	NA
+C10954	Naproanilide	C19H17NO2	291.1259	NA	KEGG	NA	NA
+MJ024765	6-Methyl-2-phenyl-4-quinolinecarboxylic acid; Et ester 	C19H17NO2	291.125928	NA	MeJP	NA	NA
+HMDB06867	S-(3-Methylbutanoyl)-dihydrolipoamide-E	C13H25NO2S2	291.13266	NA	HMDB2010	NA	NA
+HMDB06869	S-(2-Methylbutanoyl)-dihydrolipoamide	C13H25NO2S2	291.13266	NA	HMDB2010	NA	NA
+MJ024766	S-(2-Methylbutanoyl)-dihydrolipoamide 	C13H25NO2S2	291.13267	NA	MeJP	NA	NA
+MJ024767	S-(3-Methylbutanoyl)-dihydrolipoamide 	C13H25NO2S2	291.13267	NA	MeJP	NA	NA
+MetaCyc02604	S-(2-methylbutanoyl)-dihydrolipoamide [S-(2-methylbutyryl)dihydrolipoamide;]	C13H25N1O2S2	291.13267	NA	metacyc	NA	NA
+C05118	S-(2-Methylbutanoyl)-dihydrolipoamide	C13H25NO2S2	291.1327	NA	KEGG	NA	NA
+C05119	S-(3-Methylbutanoyl)-dihydrolipoamide	C13H25NO2S2	291.1327	NA	KEGG	NA	NA
+MJ024768	2-(3-Ethoxyphenyl)-5,6-dihydro[1,2,4]triazolo[5,1-a]isoquinoline 	C18H17N3O	291.137162	NA	MeJP	NA	NA
+HMDB01927	Diphenhydramine	C17H22ClNO	291.13898	http://www.hmdb.ca/metabolites/HMDB01927	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01927	Diphenhydramine	C17H22ClNO	291.13898	http://www.hmdb.ca/metabolites/HMDB01927	HMDB	NA	NA
+HMDB01927	Diphenhydramine	C17H22ClNO	291.13898	http://www.hmdb.ca/metabolites/HMDB01927	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01927	Diphenhydramine	C17H22ClNO	291.13898	HMDB01927	PFEM_hmdb_metabocards_official	NA	NA
+MJ024769	Zolamine 	C15H21N3OS	291.140532	NA	MeJP	NA	NA
+PJ000190	ATT 	C11H21N3O6	291.143	NA	PeJP	NA	NA
+MJ024770	2,6-Diamino-2-(hydroxymethyl)heptanedioic acid, N2-(2S-Carboxyethyl) 	C11H21N3O6	291.143035	NA	MeJP	NA	NA
+MJ024771	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, pyrrolidide 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024772	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Phenylacetyl 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024773	Befunolol 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024774	Clavulinin 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024775	Convolvine 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024776	Edulinine 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024777	Erythrococcamide B 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024778	Obscurolide A3; 1''-Me ether 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+MJ024779	Obscurolide B3; 7'-Me ether 	C16H21NO4	291.147058	NA	MeJP	NA	NA
+C10856	Convolvine	C16H21NO4	291.1471	NA	KEGG	NA	NA
+C10863	Phyllalbine	C16H21NO4	291.1471	NA	KEGG	NA	NA
+MJ024780	Geneserine 	C15H21N3O3	291.158291	NA	MeJP	NA	NA
+C09176	Eseridine	C15H21N3O3	291.1583	NA	KEGG	NA	NA
+MJ024781	Butinoline 	C20H21NO	291.162314	NA	MeJP	NA	NA
+MJ024782	Cotriptyline 	C20H21NO	291.162314	NA	MeJP	NA	NA
+MJ024783	Danitracen 	C20H21NO	291.162314	NA	MeJP	NA	NA
+MJ024784	Perlapine 	C19H21N3	291.173547	NA	MeJP	NA	NA
+MJ024785	Vasicoline 	C19H21N3	291.173547	NA	MeJP	NA	NA
+MJ024786	N6-(5-Amino-5-carboxypentyl)-5-hydroxylysine 	C12H25N3O5	291.17942	NA	MeJP	NA	NA
+C04883	(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C04884	N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-	C50H86N3O26R	291.1834	NA	KEGG	NA	NA
+C04885	alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-	C25H41N2O19R	291.1834	NA	KEGG	NA	NA
+C06932	Cyclopentolate	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C06933	Transferred to D00287	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C07914	Levobunolol	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C09225	Mesembrinol	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C09881	Lyconnotine	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12905	Variotin	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12906	Transferred to D01459	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12907	Transferred to D01460	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12908	Transferred to D01461	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12909	Transferred to D01462	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12910	Transferred to D01463	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12911	Transferred to D01464	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12912	Transferred to D01465	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12913	Transferred to D01466	C17H25NO3	291.1834	NA	KEGG	NA	NA
+C12914	Transferred to D01467	C17H25NO3	291.1834	NA	KEGG	NA	NA
+MJ024787	3,4-Dihydroxybenzylamine; 3-Me ether, N-(7-methyl-5E-octenoyl) 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024788	Annopodine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024789	Bunolol 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024790	Cyclizidine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024791	Cyclopentolate 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024792	Dendroxine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024793	Eucatropine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024794	Fusaricide 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024795	Hyeronine B 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024796	Joubertinamine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024797	Lasubine I 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024798	Lyconnotine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024799	Lycopodium Base X 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024800	Melochicorine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024801	Mesembrine, 6?-Alcohol 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024802	Saururidine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024803	Sedacryptine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024804	Sederine 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024805	Sedinone; Hydroxy 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MJ024806	Variotin 	C17H25NO3	291.183443	NA	MeJP	NA	NA
+MetaCyc02605	(+-)-5-[(tert-butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone []	C17H25N1O3	291.183444	NA	metacyc	NA	NA
+MJ024807	4-Coumaroylspermidine 	C16H25N3O2	291.194677	NA	MeJP	NA	NA
+MJ024808	Mayfoline 	C16H25N3O2	291.194677	NA	MeJP	NA	NA
+MJ024809	Melitracen 	C21H25N	291.198699	NA	MeJP	NA	NA
+MJ024810	N-(1,1-Dimethylethyl)-4,4-diphenyl-2-cyclopenten-1-amine 	C21H25N	291.198699	NA	MeJP	NA	NA
+MJ024811	Pyrophendane 	C21H25N	291.198699	NA	MeJP	NA	NA
+MJ024812	Terbinafine 	C21H25N	291.198699	NA	MeJP	NA	NA
+C08079	Terbinafine	C21H25N	291.1987	NA	KEGG	NA	NA
+C07416	Penbutolol	C18H29NO2	291.2198	NA	KEGG	NA	NA
+MJ024813	12-Oxo-2,4,8-tetradecatrienoic acid, 2-Methylpropylamide 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024814	2,4,8,11-Tetradecatetraenoic acid, 2-Hydroxy-2-methylpropylamide 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024815	?-[[(3-Cyclohexyl-1-methylpropyl)amino]methyl]-3-hydroxybenzyl alcohol 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024816	Exaprolol 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024817	Ketocainol; ?-Ketone 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024818	Lelobanidine 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024819	Lotucaine 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024820	Lycopodine, 5?-Alcohol, O-Ac 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+MJ024821	Penbutolol 	C18H29NO2	291.219829	NA	MeJP	NA	NA
+C15356	17beta-Amino-5alpha-androstan-11beta-ol	C19H33NO	291.2562	NA	KEGG	NA	NA
+MJ024822	2,4-Tetradecadienoic acid, Piperidide 	C19H33NO	291.256214	NA	MeJP	NA	NA
+MJ024823	Histrionicotoxins; Histrionicotoxin 291A 	C19H33NO	291.256214	NA	MeJP	NA	NA
+MJ024824	Samanine 	C19H33NO	291.256214	NA	MeJP	NA	NA
+MJ024825	2,5-Dialkylpyrrolidines; 2-Hexyl-5-nonylpyrrolidine, 5',6',8'',9''-Tetradehydro, N-Me 	C20H37N	291.2926	NA	MeJP	NA	NA
+MJ024826	1,1,3-Tribromo-2-propanone 	C3H3Br3O	291.773402	NA	MeJP	NA	NA
+MJ024827	Bromoiodoacetic acid; Et ester 	C4H6BrIO2	291.859585	NA	MeJP	NA	NA
+MJ024828	2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethanol 	C8H5Cl5O	291.878303	NA	MeJP	NA	NA
+C11009	Chlorbromuron	C9H10BrClN2O2	291.9614	NA	KEGG	NA	NA
+MJ024829	2,3,5-Tris(methylthio)-1,4-benzenediol; 1,4-Quinone, 6-(methylthio) 	C10H12O2S4	291.972012	NA	MeJP	NA	NA
+MJ024830	Butedronic acid 	C5H10O10P2	291.974919	NA	MeJP	NA	NA
+MJ024831	4-Chloro-3,6,8-trihydroxy-1-methylxanthone 	C14H9ClO5	292.013851	NA	MeJP	NA	NA
+C07646	Carboxyphosphamide	C7H15Cl2N2O4P	292.0146	NA	KEGG	NA	NA
+C16557	Carboxyifosfamide	C7H15Cl2N2O4P	292.0146	NA	KEGG	NA	NA
+MJ024832	Perfosfamide 	C7H15Cl2N2O4P	292.014648	NA	MeJP	NA	NA
+MJ024833	Brevifolincarboxylic acid 	C13H8O8	292.021917	NA	MeJP	NA	NA
+MJ024834	Phyllanthusiin E 	C13H8O8	292.021917	NA	MeJP	NA	NA
+MJ024835	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-Ac 	C14H12O3S2	292.022785	NA	MeJP	NA	NA
+MJ024836	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 2-Ac 	C14H12O3S2	292.022785	NA	MeJP	NA	NA
+MetaCyc02606	5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene []	C14H12O3S2	292.022786	NA	metacyc	NA	NA
+C04711	5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene	C14H12O3S2	292.0228	NA	KEGG	NA	NA
+MJ024837	1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-pentanone 	C12H14Cl2O4	292.026914	NA	MeJP	NA	NA
+MJ024838	Selenobiotin 	C10H16N2O3Se	292.032614	NA	MeJP	NA	NA
+JH182	Trihydroxyisofl. (3',4',7-) [M+Na]+	NA	292.0348	14.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH182	Trihydroxyisofl. (3',4',7-) [M+Na]+	NA	292.0348	14.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH182	Trihydroxyisofl. (3',4',7-) [M+Na]+	NA	292.0348	14.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH182	Trihydroxyisofl. (3',4',7-) [M+Na]+	NA	292.0348	14.89	Inhousejuil11	NA	NA
+MJ024839	Neopsoralen 	C17H8O5	292.037173	NA	MeJP	NA	NA
+MJ024840	Proclonol 	C16H14Cl2O	292.04217	NA	MeJP	NA	NA
+C14423	1,8-Dinitropyrene	C16H8N2O4	292.0484	NA	KEGG	NA	NA
+C14424	1,6-Dinitropyrene	C16H8N2O4	292.0484	NA	KEGG	NA	NA
+MJ024841	Tiamiprine 	C9H8N8O2S	292.049092	NA	MeJP	NA	NA
+MJ024842	2-Chloro-5,8-dihydroxy-3-prenyl-1,4-naphthoquinone 	C15H13ClO4	292.050236	NA	MeJP	NA	NA
+MJ024843	Sulfanthrol 	C13H12N2O4S	292.051777	NA	MeJP	NA	NA
+MJ024844	1-Oxo-2-phenyl-2-pentene-1,3,5-tricarboxylic acid 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024845	2,5,6,8-Tetrahydroxy-3-(2-oxopropyl)-1,4-naphthoquinone; 6-Me ether 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024846	3,4-Dihydro-3,5-dihydroxy-2H-pyran-2-one, 3-O-(3,5-Dihydroxy-E-cinnamoyl) 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024847	5-Hydroxy-2,6-dimethoxy-7-methoxycarbonyl-1,4-naphthoquinone 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024848	Cordeauxione 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024849	Dumortin A; 7,8-Dihydro, 7-hydroxy 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024850	Floccosic acid 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024851	Isocordeauxione 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024852	Juglomycin D 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024853	Olivovariin 	C14H12O7	292.058302	NA	MeJP	NA	NA
+MJ024854	Yerrinquinone 	C14H12O7	292.058302	NA	MeJP	NA	NA
+C14204	Hydroxyflutamide	C11H11F3N2O4	292.0671	NA	KEGG	NA	NA
+MJ024855	4-Bromo-3-oxobutanoic acid; 1-Methylheptyl ester 	C12H21BrO3	292.067407	NA	MeJP	NA	NA
+MJ024856	5-Fluoro-2,4(1H,3H)-pyrimidinedione; 1-?-D-Galactopyranosyl 	C10H13FN2O7	292.070678	NA	MeJP	NA	NA
+FL1AA9NF0002	4-Methoxyfurano[2'',3'':6,7]aurone	C18H12O4	292.07355	61755-76-8	knapsack	NA	NA
+FL1AUNNF0001	Derriobtusone A	C18H12O4	292.07355	61755-71-3	knapsack	NA	NA
+FL3F18NF0001	2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	C18H12O4	292.07355	73937-46-9	knapsack	NA	NA
+FL3F19NF0001	Pongone;7-(3-Methoxyphenyl)-5H-furo[3,2-g][1]benzopyran-5-one	C18H12O4	292.07355	114687-96-6	knapsack	NA	NA
+FL3F19NF0002	Cauliflorin A;Pongol methyl ether;2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	C18H12O4	292.07355	73937-37-8	knapsack	NA	NA
+FL3F1ANF0001	Glabone	C18H12O4	292.07355	113807-95-7	knapsack	NA	NA
+FL3F1ANF0002	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	C18H12O4	292.07355	70894-15-4	knapsack	NA	NA
+FL3F29NF0002	Kanjone;6-Methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one	C18H12O4	292.07355	1094-12-8	knapsack	NA	NA
+FL3F39NF0001	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one	C18H12O4	292.07355	64803-88-9	knapsack	NA	NA
+FL3FA9NF0002	Pinnatin;4-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one	C18H12O4	292.07355	1232-43-5	knapsack	NA	NA
+FL5F19NF0001	Karanjin;3-Methoxy-2-phenyl-4H-Furo[2,3-h]-1-benzopyran-4-one	C18H12O4	292.07355	521-88-0	knapsack	NA	NA
+FL5F19NF0002	Ponganone XI;6-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one	C18H12O4	292.07355	142608-97-7	knapsack	NA	NA
+MJ024857	2,5-Bis(3-hydroxyphenyl)-1,4-benzoquinone 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024858	2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024859	2-(2-Hydroxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one; Me ether 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024860	2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one; 4-Methoxy 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024861	3-Hydroxy-1,4-diphenyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024862	4-Hydroxy-7-phenyl-9H-furo[2,3-f][1]benzopyran-9-one; Me ether 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024863	6-Hydroxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one; Me ether 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024864	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024865	Derriobtusone A 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024866	Glabone 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024867	Isopongaglabol; Me ether 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024868	Kanjone 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024869	Karanjonol; Me ether 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024870	Pinnatin 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024871	Pongaglabol; Me ether 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024872	Pongone 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024873	Przewaquinone B 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024874	Tanshinone I; 19-Hydroxy 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024875	Xerulin; 18-Carboxylic acid 	C18H12O4	292.073558	NA	MeJP	NA	NA
+MJ024876	5-Hydroxy-4-methoxy-2(5H)-furanone, O-?-D-Glucopyranoside 	C11H16O9	292.079432	NA	MeJP	NA	NA
+PJ000191	GCN 	C9H16N4O5S	292.0842	NA	PeJP	NA	NA
+MJ024877	Botryllazine B 	C17H12N2O3	292.084792	NA	MeJP	NA	NA
+MJ024878	Imbiline 1 	C17H12N2O3	292.084792	NA	MeJP	NA	NA
+MJ024879	Sampangine; 4,9-Dimethoxy 	C17H12N2O3	292.084792	NA	MeJP	NA	NA
+MJ024880	Ethylenediaminetetraacetic acid 	C10H16N2O8	292.090665	NA	MeJP	NA	NA
+MJ024881	N,N'-Ethylenediaminedisuccinic acid 	C10H16N2O8	292.090665	NA	MeJP	NA	NA
+MetaCyc02607	EDTA []	C10H16N2O8	292.090666	NA	metacyc	NA	NA
+C00284	EDTA	C10H16N2O8	292.0907	NA	KEGG	NA	NA
+MJ024882	1,10-Epoxy-3-hydroxy-4,11(13)-germacradiene-12,8:15,6-diolide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024883	1,10:2,3-Diepoxy-4,11(13)-germacradiene-12,8:15,6-diolide, 11?,13-Dihydro 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024884	1,10:4,5-Diepoxy-7(11)-germacrene-12,8:15,6-diolide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024885	1,3-Dihydroxy-4,9,11(13)-germacratriene-12,8;14,6-diolide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024886	1-Hydroxy-4,7(11),9-germacratriene-12,8:15,6-olide, 4?,5?-Epoxide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024887	10-Hydroxy-7(11),8-eremophiladiene-12,8:15,6-diolide, 8?,9?-Epoxide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024888	3-Ethyl-5-hydroxy-2,6,7-trimethoxy-1,4-naphthoquinone 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024889	4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradiene-12,8:14,2-diolide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024890	4,5-Epoxy-8-hydroxy-1(10),7(11)-germacradiene-12,8:15,6-diolide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024891	6,7-Dihydroxy-4-oxo-2-heptenoic acid, 7-O-Benzoyl, Me ester 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024892	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-O-(4-Hydroxy-3-methyl-2-butenyl) (Z-) 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024893	8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,4?:5?,10?-Diepoxide 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024894	Allamdin 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024895	Altenuene 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024896	Angelicain 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024897	Citreoisocoumarinol; 4'-Ketone, 6-Me ether 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024898	Cnidimol B 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024899	Cnidimol D 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024900	Cnidimol E 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024901	Decursidinol, 5-Methoxy 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024902	Dendryol B; 4,4a-Didehydro 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024903	Goniodiol; 5?-Hydroxy, 2'-Ac 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024904	Goniofufurone; 3-Epimer, 7-Ac 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024905	Goniofufurone; 7-Ac 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024906	Goniopypyrone; 5-Ac 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024907	Goniopypyrone; 7-Ac 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024908	Grandmarin 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024909	Greveichromenol; 3,4-Dihydro, 3R-hydroxy 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024910	Helipyrone C 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024911	Isopurpurasol 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024912	Italicic acid 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024913	Khellactone, 6-Methoxy 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024914	Neoaltenuene 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024915	Neoliacinolide B 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024916	Obtusiprenin; 4'-Hydroxy 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024917	Pentalenolactone F; 1-Oxo 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024918	Picrotoxinin 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024919	Piperolide; 6,7-Dihydro, 6,7-dihydroxy 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024920	Plumericin; 11S,13-Dihydro 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024921	Purpurenol; 5-Demethoxy 	C15H16O6	292.094688	NA	MeJP	NA	NA
+MJ024922	Solaniol 	C15H16O6	292.094688	NA	MeJP	NA	NA
+C09397	Dihydromikanolide	C15H16O6	292.0947	NA	KEGG	NA	NA
+C09529	Picrotoxinin	C15H16O6	292.0947	NA	KEGG	NA	NA
+MJ024923	Didemnimide A; N15-Me 	C16H12N4O2	292.096025	NA	MeJP	NA	NA
+MJ024924	Didemnimide A; N17-Me 	C16H12N4O2	292.096025	NA	MeJP	NA	NA
+MJ024925	Climbazole 	C15H17ClN2O2	292.097855	NA	MeJP	NA	NA
+MJ024926	Lortalamine 	C15H17ClN2O2	292.097855	NA	MeJP	NA	NA
+HMDB12197	Canavaninosuccinate	C9H16N4O7	292.101898	NA	HMDB2010	NA	NA
+MJ024927	Canavanosuccinic acid 	C9H16N4O7	292.101898	NA	MeJP	NA	NA
+MetaCyc02608	canavaninosuccinate []	C9H16N4O7	292.101899	NA	metacyc	NA	NA
+MJ024928	Arazide 	C10H12N8O3	292.103236	NA	MeJP	NA	NA
+MJ024929	Monatin 	C14H16N2O5	292.105921	NA	MeJP	NA	NA
+MJ024930	Pukeleimide, Me ether 	C14H16N2O5	292.105921	NA	MeJP	NA	NA
+CJneg0500	N-Acetyltryptophan isomer [(M-H)+(HCOOH)]-	C14H15N2O5	292.106425	C18rt(min)=7 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0500	N-Acetyltryptophan isomer [(M-H)+(HCOOH)]-	C14H15N2O5	292.106425	C18rt(min)=7 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+2708	erythromycin inhibitor	MTITC	292.1092	MH2+	Inhouse_peptide	NA	peptide
+MJ024931	N-?-Glutamylcysteine; L-L-form, S-Propyl 	C11H20N2O5S	292.109292	NA	MeJP	NA	NA
+C16806	Coumatetralyl	C19H16O3	292.1099	NA	KEGG	NA	NA
+FL1C19NF0003	Purpuritenin B	C19H16O3	292.10994	86293-24-5	knapsack	NA	NA
+FL1C1ANF0001	Purpuritenin A	C19H16O3	292.10994	83728-90-9	knapsack	NA	NA
+MJ024932	1,7-Bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024933	Eupomatenoid 3 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024934	Plectranthone C 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024935	Purpuritenin A 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024936	Purpuritenin B 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024937	Tanshinone II; 1,2-Didehydro 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024938	Terferol 	C19H16O3	292.109944	NA	MeJP	NA	NA
+MJ024939	3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-?-D-Glucopyranoside 	C12H20O8	292.115817	NA	MeJP	NA	NA
+MJ024940	3,4-Dihydro-2-methyl-2H-pyran-3,4-diol, 4-O-?-D-Glucopyranoside 	C12H20O8	292.115817	NA	MeJP	NA	NA
+MJ024941	4-Cyclohexene-1,2,3-triol, 3-O-?-D-Glucopyranoside 	C12H20O8	292.115817	NA	MeJP	NA	NA
+MJ024942	Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, O-?-D-Glucopyranoside 	C12H20O8	292.115817	NA	MeJP	NA	NA
+MJ024943	Wilforibiose 	C12H20O8	292.115817	NA	MeJP	NA	NA
+3319	NA	HH	292.116	celiac toxic	Inhouse_peptide	NA	peptide
+CJneg0501	Methylglutaric acid [(2M-H)]-	C12H19O8	292.116325	C18rt(min)=5.15 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0501	Methylglutaric acid [(2M-H)]-	C12H19O8	292.116325	C18rt(min)=5.15 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ024944	3-Benzyl-6-benzylidene-2,5-piperazinedione 	C18H16N2O2	292.121177	NA	MeJP	NA	NA
+MJ024945	6-(3-Methyl-2-butenyl)-1-phenazinecarboxylic acid 	C18H16N2O2	292.121177	NA	MeJP	NA	NA
+MJ024946	Dragabine 	C18H16N2O2	292.121177	NA	MeJP	NA	NA
+MJ024947	Vincarpine; Dihydro 	C18H16N2O2	292.121177	NA	MeJP	NA	NA
+C11163	INF271	C18H16N2O2	292.1212	NA	KEGG	NA	NA
+MJ024948	N-[3-[5-(4-Fluorophenyl)tetrahydro-2-furanyl]-1-methyl-2-propynyl]-N-hydroxyurea 	C15H17FN2O3	292.12232	NA	MeJP	NA	NA
+MJ024949	5-Hydroxy-2,7-dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran, 8-Chloro 	C17H21ClO2	292.123007	NA	MeJP	NA	NA
+3712	NA	FYQQ	292.1235	MH2+	Inhouse_peptide	NA	peptide
+MJ024950	Agropine 	C11H20N2O7	292.127051	NA	MeJP	NA	NA
+MJ024951	Bifluranol 	C17H18F2O2	292.127486	NA	MeJP	NA	NA
+PJ000192	HH 	C12H16N6O3	292.1284	NA	PeJP	NA	NA
+MJ024952	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-(2-methylpropanoyl), 1-Ac 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024953	1-O-Coumaroylglycerol, 4'-Me ether, 2,3-O-isopropylidene 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024954	11-Hydroxy-12-methoxydihydrokawain, Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024955	11-Hydroxy-3,8-dioxo-1,4-eudesmadien-12-oic acid, Me ester 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024956	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Me ester 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024957	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-(2-methylpropanoyl), 1-Ac 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024958	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-Methyl-3-oxopentyl ester 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024959	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(3-Oxohexyl) 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024960	5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid; Di-Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024961	6,7-Epoxy-1-hydroxy-13-nor-9-eremophilene-8,11-dione, Ac 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024962	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024963	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 3',7-Di-Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024964	8-Acetyl-5,6,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran; Tri-Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024965	8-Hydroxy-1(10),4,7(11)-germacratrien-12,8-olid-15-oic acid, Me ester 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024966	8-Hydroxy-1,3,7(11)-elematrien-12,8-olid-15-oic acid; 8?OH-form, Me ester 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024967	8-Hydroxy-7(11)-eremophilene-12,8:15,6-diolide, Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024968	Cladosporin 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024969	Coriandrone A 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024970	Coriandrone B 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024971	Curvularin 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024972	Evodione 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024973	Isosecotanapartholide; 3-Epimer, Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024974	Isosecotanapartholide; Me ether 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024975	Morinin A; 3-Methoxy, 5'-hydroxy 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024976	Sericealactone 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024977	Sinapyl alcohol, 1-O-(3-Methyl-2-butenoyl) 	C16H20O5	292.131073	NA	MeJP	NA	NA
+MJ024978	Sinapyl alcohol, 1-O-Angeloyl 	C16H20O5	292.131073	NA	MeJP	NA	NA
+C11740	SB 206553	C17H16N4O	292.1324	NA	KEGG	NA	NA
+MJ024979	3,5-Dihydro-5-methyl-N-3-pyridinylbenzo[1,2-b:4,5-b']dipyrrole-1(2H)-carboxamide 	C17H16N4O	292.132411	NA	MeJP	NA	NA
+HMDB11687	Phenylbutyrylglutamine	C15H20N2O4	292.142303	NA	HMDB2010	NA	NA
+MJ024980	Bripiodionene 	C15H20N2O4	292.142307	NA	MeJP	NA	NA
+MJ024981	Ecgonine, O-(2-Pyrrolecarbonyl), Me ester 	C15H20N2O4	292.142307	NA	MeJP	NA	NA
+MJ024982	Epiderstatin 	C15H20N2O4	292.142307	NA	MeJP	NA	NA
+MJ024983	Filaminast 	C15H20N2O4	292.142307	NA	MeJP	NA	NA
+MJ024984	Fusarochromanone 	C15H20N2O4	292.142307	NA	MeJP	NA	NA
+MJ024985	10-Hydroxy-1,3,5,7,10,12,14-amphilectaheptaen-9-one 	C20H20O2	292.146329	NA	MeJP	NA	NA
+MJ024986	3',4',5,6,7-Pentamethylflavone 	C20H20O2	292.146329	NA	MeJP	NA	NA
+MJ024987	3',4',5,6,8-Pentamethylflavone 	C20H20O2	292.146329	NA	MeJP	NA	NA
+MJ024988	Salvilenone 	C20H20O2	292.146329	NA	MeJP	NA	NA
+MJ024989	Serpentene 	C20H20O2	292.146329	NA	MeJP	NA	NA
+C02413	Heptopyranosides	C13H24O7	292.1522	NA	KEGG	NA	NA
+C02415	Histone-L-lysine	C7H13N3O2R2	292.1522	NA	KEGG	NA	NA
+MJ024990	Bharhingine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024991	Cinchonidine; Ketone 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024992	Denzimol 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024993	Ervitsine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024994	Luzindole 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024995	Matadine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024996	Meloscine; Natural-form 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024997	Nor-C-fluorocurarine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024998	Rauflorine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ024999	Strictalamine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ025000	Vellosimine 	C19H20N2O	292.157563	NA	MeJP	NA	NA
+MJ025001	Melinonine E 	C19H21N2O(+)	292.157563	NA	MeJP	NA	NA
+MetaCyc02609	vellosimine []	C19H20N2O1	292.157563	NA	metacyc	NA	NA
+MetaCyc02610	16-epivellosimine []	C19H20N2O1	292.157563	NA	metacyc	NA	NA
+C11633	16-Epivellosimine	C19H20N2O	292.1576	NA	KEGG	NA	NA
+C11634	Vellosimine	C19H20N2O	292.1576	NA	KEGG	NA	NA
+C16726	Cinchoninone	C19H20N2O	292.1576	NA	KEGG	NA	NA
+C16846	Cinchonidinone	C19H20N2O	292.1576	NA	KEGG	NA	NA
+MJ025002	1(10),11(13)-Eremophiladien-12-oic acid; 15-Acetoxy 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025003	1,6-Dihydroxy-4,11-guaiadien-3-one; 6-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025004	1,9-Dihydroxy-1,3,5-bisabolatrien-15-al; 9-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025005	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025006	1-Hydroxy-4(15)-eudesmen-12,6-olide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025007	1-Hydroxy-4-eudesmen-12,6-olide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025008	1-Hydroxy-9,11(13)-eremophiladien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025009	11-Hydroxy-14-lychnenoic acid; Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025010	11-Hydroxy-7-drimen-12,11-olide; 11?-form, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025011	11-Hydroxy-8-drimen-12,11-olide; 11?-form, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025012	12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025013	12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 14-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025014	12-Hydroxy-1(10),4,7(11)-germacratrien-8-one, 4?,5?-Epoxide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025015	12-Hydroxy-1(10),7(11)-germacradiene-5,8-dione, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025016	15-Hydroxy-2,7(14),10-bisabolatrien-12-oic acid; 15-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025017	2-(7-Hydroxy-3,7-dimethyl-2-octenyl)-6-methoxy-1,4-benzoquinone 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025018	2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025019	2-Hydroxy-4,7(11)-valerenadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025020	2-Hydroxy-5,11(13)-eudesmadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025021	3,5-Dihydroxy-2(6)-africanen-4-one, 5-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025022	3-Hydroxy-1(10),11(13)-eremophiladien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025023	3-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025024	3-Hydroxy-1(10),4-cadinadien-15-oic acid; Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025025	3-Hydroxy-1(10),4-germacradien-12,8-olide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025026	3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025027	3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 3?-form, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025028	3-Hydroxy-7-drimen-11,12-olide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025029	3-Hydroxy-7-drimen-12,11-olide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025030	3-Hydroxy-9,11(13)-eremophiladien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025031	3-Scirpenol; 3?-form, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025032	4,10-Dihydroxy-2,8-neolemnadien-5-one, 4-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025033	4-Hydroxy-11(13)-pseudoguaien-12,6-olide, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025034	4-Scirpenol, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025035	5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me, 1'-Et ether 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025036	5-Hydroxy-2,5,10-bisabolatriene-1,4-dione, Hydroquinone, 5-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025037	6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Et ether 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025038	6-Hydroxy-2-sterpuren-12-oic acid; 14-Hydroxy, 6,14-ethylene acetal 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025039	6-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025040	6-Hydroxy-7-drimen-12,11-olide, 6-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025041	6-Hydroxy-7-drimene-11,12-dial, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025042	7-Drimene-3,11,12-triol, 11,12-Dialdehyde, 3-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025043	8,10-Dihydroxy-3-longipinen-5-one, 8-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025044	8,12-Epoxy-8,12-dihydroxy-1,7(11)-eremophiladien-3-one, Di-Me ether 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025045	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025046	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025047	8-Hydroxy-3,11(13)-eudesmadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025048	8-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025049	8-Hydroxy-4,11(13)-eudesmadien-12-oic acid; 8?-form, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025050	9,13-Dihydroxy-2(12),10-trichodien-3-one; 13-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025051	9-Hydroxy-3(15),6-caryophylladien-14-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025052	9-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025053	9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025054	Albocycline; 7-Demethoxy, 7-oxo 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025055	Botryenalol; 15-Aldehyde 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025056	Caespitin 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025057	Euplotin B; 8-Deoxo 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025058	Fukinanolide; 9?-Hydroxy, 9-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025059	Furanoeremophilane-3,6-diol, 6-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025060	Gingerdiones; [6]Gingerdione 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025061	Hillol, Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025062	Lasiodiplodin 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025063	Madolin H; 6,7-Epoxide 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025064	Neolemnane 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025065	Norstrictic acid 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025066	Plagiochiline C; 15-De-Ac 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025067	Rudmollin 4,15-acetal 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025068	Shogaol; 6-Hydroxy 	C17H24O4	292.167459	NA	MeJP	NA	NA
+MJ025069	Subvellerolactone C 	C17H24O4	292.167459	NA	MeJP	NA	NA
+C09741	Trichodermin	C17H24O4	292.1675	NA	KEGG	NA	NA
+C10459	[6]-Gingerdione	C17H24O4	292.1675	NA	KEGG	NA	NA
+MJ025070	Lerisetron 	C18H20N4	292.168796	NA	MeJP	NA	NA
+MJ025071	Thioperamide 	C15H24N4S	292.172167	NA	MeJP	NA	NA
+C17933	Thioperamide	C15H24N4S	292.1722	NA	KEGG	NA	NA
+MJ025072	Angustifoline, N-Methoxycarbonyl 	C16H24N2O3	292.178692	NA	MeJP	NA	NA
+MJ025073	Carteolol 	C16H24N2O3	292.178692	NA	MeJP	NA	NA
+MJ025074	Mamanine; OH-form, 7?-Hydroxy, O6'-Me 	C16H24N2O3	292.178692	NA	MeJP	NA	NA
+MJ025075	Mamanine; OH-form, 8?-Hydroxy, O6'-Me 	C16H24N2O3	292.178692	NA	MeJP	NA	NA
+C06874	Carteolol	C16H24N2O3	292.1787	NA	KEGG	NA	NA
+MJ025076	3-Octanol, O-?-D-Glucopyranoside 	C14H28O6	292.188588	NA	MeJP	NA	NA
+MJ025077	Octyl glucoside; ?-D-Pyranose-form 	C14H28O6	292.188588	NA	MeJP	NA	NA
+MetaCyc02611	octylglucoside [1-O-n-octyl-&beta;-D-glucopyranoside;OG;beta-D-octyl glucoside;octyl-beta-D-glucoside;]	C14H28O6	292.188589	NA	metacyc	NA	NA
+MJ025078	2,2,6-Trimethyl-4-(4-quinolinyl)-3-azabicyclo[3.3.1]non-6-ene 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025079	Aristofruticosine 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025080	Aristoteline, 9,10-Didehydro 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025081	Aspidofractinine, 14,15-Didehydro, N1-Me 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025082	Dimetindene 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025083	Elantrine 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025084	Enprazepine 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025085	Peduncularine 	C20H24N2	292.193948	NA	MeJP	NA	NA
+MJ025086	Sorelline 	C20H24N2	292.193948	NA	MeJP	NA	NA
+C01226	12-OPDA	C18H28O3	292.2038	NA	KEGG	NA	NA
+C04672	(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid	C18H28O3	292.2038	NA	KEGG	NA	NA
+C08319	(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid	C18H28O3	292.2038	NA	KEGG	NA	NA
+C13816	(9R,13R)-12-Oxo-phytodienoic acid	C18H28O3	292.2038	NA	KEGG	NA	NA
+C14911	17beta-Hydroxy-2-oxa-5alpha-androstan-3-one	C18H28O3	292.2038	NA	KEGG	NA	NA
+C16319	Etherolenic acid	C18H28O3	292.2038	NA	KEGG	NA	NA
+C16320	Colnelenic acid	C18H28O3	292.2038	NA	KEGG	NA	NA
+C16324	9,10-EOT	C18H28O3	292.2038	NA	KEGG	NA	NA
+C16325	10-OPDA	C18H28O3	292.2038	NA	KEGG	NA	NA
+MJ025087	1-(2,6-Dihydroxyphenyl)-1-dodecanone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025088	1-(3,4-Dihydroxyphenyl)-5-dodecanone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025089	1-Heptadecene-11,13-diyne-8,9,10-triol, 8-Me ether 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025090	1-Heptadecene-4,6-diyne-3,9,10-triol, 10-Me ether 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025091	10-Hydroxy-6,8,12,15-octadecatetraenoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025092	10-Hydroxy-8-octadecen-6-ynoic acid, Ketone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025093	11-Rotundene-13,15-diol; 15-Ac, 13-Me ether 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025094	12-Hydroxy-6,9,11-dodecatrienoic acid, 6,7-Dihydro, 1,3-hexadienyl ether(Z,Z-) 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025095	12-Hydroxy-9,13,15-octadecatrienoic acid, 12-Ketone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025096	13-Hydroxy-6,9,11,15-octadecatetraenoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025097	13-Oxo-14,15-dinor-3-cleroden-17-oic acid; ent-form 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025098	14,15-Dinor-13-oxo-1(10)-halimen-18-oic acid; ent-form 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025099	14,15-Dinor-13-oxo-3-cleroden-18-oic acid; ent-form 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025100	14,15-Dinor-13-oxo-7-labden-17-oic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025101	14,15-Dinor-13-oxo-8(17),11-labdadien-19-oic acid, 11,12-Dihydro 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025102	15-Hydroxy-6,9,12-octadecatrien-16-olide 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025103	16-Hydroxy-6,9,12-octadecatrien-15-olide 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025104	2-Hydroxy-6-undecylbenzoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025105	3,7-Epoxy-1,10-bisaboladien-12-ol; Propanoyl 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025106	3-(1-Hydroxy-11-dodecenyl)-5-methylene-2(5H)-furanone, Me ether 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025107	4-Oxo-5-(2-pentenyl)-2-cyclopentene-1-octanoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025108	4-Oxo-9,11,13-octadecatrienoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025109	6-Hydroxy-7,9-octadecadiynoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025110	7-Hydroxy-9,12-octadecadien-5-ynoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025111	8,13-Dihydroxy-15,16-dinor-20-isopimaranoic acid, 20 ? 8 Lactone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025112	8-Hydroxy-10,12-octadecadiynoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025113	8-Hydroxy-11,17-octadecadien-9-ynoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025114	8-Hydroxy-9,11-octadecadiynoic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025115	9-Hydroxy-10,12,15-octadecatrienoic acid, 9-Ketone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025116	Colnelenic acid 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025117	Dicranenone B1; 6,7,7,8-Tetrahydro 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025118	Ecklonialactone A; 6,7-Dihydro 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025119	Mueggelone 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025120	Obtusilactone; (E)-Isomer, Me ether 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MJ025121	Paradol; [7]Paradol 	C18H28O3	292.203844	NA	MeJP	NA	NA
+MetaCyc02612	(9Z)-(13S)-12,13-epoxyoctadeca-9,11-dienoate [13(s)-EOD;]	C18H28O3	292.203845	NA	metacyc	NA	NA
+MetaCyc02613	12-oxo-cis-10,15-phytodienoate [12-oxo-cis-10,15-phytodienoic acid;oxophytodienoic acid;(15Z)-12-oxophyto-10,15-dienoate;12-oxo-phytodienoic acid;]	C18H28O3	292.203845	NA	metacyc	NA	NA
+MetaCyc02614	12,13(S)-epoxylinolenate [12,13(S)-epoxylinolenic acid;epoxylinolenic acid;12,13-epoxy-octadecatrienoic acid;(9Z)-(13S)-12,13-epoxyoctadeca-9,11,15-trienoate;]	C18H28O3	292.203845	NA	metacyc	NA	NA
+MJ025122	13-Hydroxylupanine; Et ether 	C17H28N2O2	292.215078	NA	MeJP	NA	NA
+MJ025123	3-(12-Nitrododecyl)pyridine 	C17H28N2O2	292.215078	NA	MeJP	NA	NA
+MJ025124	4-Aminobenzoic acid; N-Butyl, diethylaminoethyl ester 	C17H28N2O2	292.215078	NA	MeJP	NA	NA
+MJ025125	Ambucetamide 	C17H28N2O2	292.215078	NA	MeJP	NA	NA
+MJ025126	Endomide 	C17H28N2O2	292.215078	NA	MeJP	NA	NA
+MJ025127	Leucinocaine 	C17H28N2O2	292.215078	NA	MeJP	NA	NA
+MJ025128	3,10,19-Docosatriene-1,8,21-triyne 	C22H28	292.2191	NA	MeJP	NA	NA
+MJ025129	Des-A-26,27-dinor-5,7,9,11,13-ursapentaene 	C22H28	292.2191	NA	MeJP	NA	NA
+MJ025130	Des-A-26,27-dinoroleana-5,7,9,11,13-pentaene 	C22H28	292.2191	NA	MeJP	NA	NA
+C15093	3beta-Fluoroandrost-5-en-17beta-ol	C19H29FO	292.2202	NA	KEGG	NA	NA
+C01090	16alpha-Hydroxysteroid	C19H32O2	292.2402	NA	KEGG	NA	NA
+C02159	Hydroxysteroid	C19H32O2	292.2402	NA	KEGG	NA	NA
+C03050	16beta-Hydroxysteroid	C19H32O2	292.2402	NA	KEGG	NA	NA
+C03051	17beta-Hydroxysteroid	C19H32O2	292.2402	NA	KEGG	NA	NA
+C03176	Steroid hydroperoxide	C19H32O2	292.2402	NA	KEGG	NA	NA
+C03852	Androstan-3alpha,17beta-diol	C19H32O2	292.2402	NA	KEGG	NA	NA
+C07632	Androstanediol	C19H32O2	292.2402	NA	KEGG	NA	NA
+C10800	Grevillol	C19H32O2	292.2402	NA	KEGG	NA	NA
+C12525	5alpha-Androstan-3beta,17beta-diol	C19H32O2	292.2402	NA	KEGG	NA	NA
+C12526	Transferred to D01127	C19H32O2	292.2402	NA	KEGG	NA	NA
+C12527	Transferred to D01128	C19H32O2	292.2402	NA	KEGG	NA	NA
+C12528	Transferred to D01129	C19H32O2	292.2402	NA	KEGG	NA	NA
+C12529	Transferred to D01130	C19H32O2	292.2402	NA	KEGG	NA	NA
+C12530	Transferred to D01131	C19H32O2	292.2402	NA	KEGG	NA	NA
+C14975	D-Homo-17a-oxa-5alpha-androstan-3beta-ol	C19H32O2	292.2402	NA	KEGG	NA	NA
+C15288	5alpha-Androstane-11beta,17beta-diol	C19H32O2	292.2402	NA	KEGG	NA	NA
+HMDB00369	3b,17b-Dihydroxyetiocholane	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00369	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00493	5a-Androstane-3b,17b-diol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00493	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00551	Etiocholanediol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00551	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00554	Dihydroandrosterone	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00554	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00369	3b,17b-Dihydroxyetiocholane	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00369	HMDB	NA	NA
+HMDB00383	3a,17a-Dihydroxy-5b-androstane	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00383	HMDB	NA	NA
+HMDB00412	3b,17a-Dihydroxy-5a-androstane	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00412	HMDB	NA	NA
+HMDB00458	5a-Androstane-3a,17a-diol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00458	HMDB	NA	NA
+HMDB00493	5a-Androstane-3b,17b-diol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00493	HMDB	NA	NA
+HMDB00495	Androstanediol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00495	HMDB	NA	NA
+HMDB00551	Etiocholanediol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00551	HMDB	NA	NA
+HMDB00554	Dihydroandrosterone	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00554	HMDB	NA	NA
+MJ025131	1-Hydroxy-2,5,10-nonadecatrien-4-one 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025132	1-Hydroxy-2,5,12-nonadecatrien-4-one 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025133	1-Hydroxy-2,5,14-nonadecatrien-4-one 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025134	15-Hydroxy-17-nor-8-labden-7-one; 13S-form 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025135	18-Nor-8(17),13-labdadiene-4,15-diol 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025136	5-Methyl-3-(1-tetradecenyl)-2(5H)-furanone 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025137	5-Tridecyl-1,3-benzenediol 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025138	8,13-Epoxy-3-nor-14-colensen-2-one, 14,15-Dihydro 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025139	8-Hydroxy-15-nor-12-labden-14-al 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025140	Androstane-3,16-diol 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MJ025141	Androstane-3,17-diol 	C19H32O2	292.24023	NA	MeJP	NA	NA
+MetaCyc02615	androstan-3&alpha;,17&beta;-diol [10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17- hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;]	C19H32O2	292.24023	NA	metacyc	NA	NA
+MetaCyc02616	5-&alpha;-androstan-3&beta;,17&beta;-diol []	C19H32O2	292.24023	NA	metacyc	NA	NA
+MetaCyc02617	16-&beta;-hydroxysteroid [10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol;]	C19H32O2	292.24023	NA	metacyc	NA	NA
+MetaCyc02618	16-&alpha;-hydroxysteroid [10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol;]	C19H32O2	292.24023	NA	metacyc	NA	NA
+HMDB00369	3b,17b-Dihydroxyetiocholane	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00369	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00493	5a-Androstane-3b,17b-diol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00493	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00551	Etiocholanediol	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00551	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00554	Dihydroandrosterone	C19H32O2	292.24023	http://www.hmdb.ca/metabolites/HMDB00554	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00369	3b,17b-Dihydroxyetiocholane	C19H32O2	292.24023	HMDB00369	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00383	3a,17a-Dihydroxy-5b-androstane	C19H32O2	292.24023	HMDB00383	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00412	3b,17a-Dihydroxy-5a-androstane	C19H32O2	292.24023	HMDB00412	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00458	5a-Androstane-3a,17a-diol	C19H32O2	292.24023	HMDB00458	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00493	5a-Androstane-3b,17b-diol	C19H32O2	292.24023	HMDB00493	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00495	Androstanediol	C19H32O2	292.24023	HMDB00495	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00551	Etiocholanediol	C19H32O2	292.24023	HMDB00551	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00554	Dihydroandrosterone	C19H32O2	292.24023	HMDB00554	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00369	3b,17b-Dihydroxyetiocholane	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00383	3a,17a-Dihydroxy-5b-androstane	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00412	3b,17a-Dihydroxy-5a-androstane	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00458	5a-Androstane-3a,17a-diol	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00493	5a-Androstane-3b,17b-diol	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00495	Androstanediol	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00551	Etiocholanediol	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+HMDB00554	Dihydroandrosterone	C19H32O2	292.240234	NA	HMDB2010	NA	NA
+MJ025142	Hachijodines; Hachijodine A 	C18H32N2O	292.251463	NA	MeJP	NA	NA
+MJ025143	14-Labden-8-ol 	C20H36O	292.276615	NA	MeJP	NA	NA
+MJ025144	3,6,9-Eicosatriene, 9S,10R-Epoxide 	C20H36O	292.276615	NA	MeJP	NA	NA
+MJ025145	4-Eicosen-1-yn-3-ol 	C20H36O	292.276615	NA	MeJP	NA	NA
+MJ025146	6,10,14-Phytatrien-1-ol 	C20H36O	292.276615	NA	MeJP	NA	NA
+MJ025147	8(17)-Labden-15-ol 	C20H36O	292.276615	NA	MeJP	NA	NA
+MJ025148	Ambliofuran; 6,7,10,11,14,15-Hexahydro 	C20H36O	292.276615	NA	MeJP	NA	NA
+MJ025149	Bertosamil 	C19H36N2	292.287849	NA	MeJP	NA	NA
+MJ025150	2-Methyl-2,9-eicosadiene 	C21H40	292.313001	NA	MeJP	NA	NA
+MJ025151	6,9-Heneicosadiene 	C21H40	292.313001	NA	MeJP	NA	NA
+8244	Antioxidative peptide	GWNIP	292.63945	MH2+	Inhouse_peptide	NA	peptide
+7571	ACE inhibitor from myosin heavy chain	MNPPK	292.64065	MH2+	Inhouse_peptide	NA	peptide
+3618	NA	KTPKI	292.6855	MH2+	Inhouse_peptide	NA	peptide
+C14338	Pentachloronitrobenzene	C6Cl5NO2	292.8372	NA	KEGG	NA	NA
+C16246	3,5-Dibromo-4-hydroxybenzamide	C7H5Br2NO2	292.8687	NA	KEGG	NA	NA
+MJ025152	2-Amino-3-(3-bromo-5-chloro-4-hydroxyphenyl)propanoic acid 	C9H9BrClNO3	292.945433	NA	MeJP	NA	NA
+MJ025153	4-Fluoro-2-hydroxy-5-(phosphonomethyl)phenylalanine 	C10H13FNO6P	293.046451	NA	MeJP	NA	NA
+C03536	Pyrimidine 5'-nucleotide	C9H14N2O7P	293.0539	NA	KEGG	NA	NA
+PJ000193	GCD 	C9H15N3O6S	293.0682	NA	PeJP	NA	NA
+MJ025154	1,2,6-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 6-Me ether 	C17H11NO4	293.068807	NA	MeJP	NA	NA
+MJ025155	Aristolactam I 	C17H11NO4	293.068807	NA	MeJP	NA	NA
+MJ025156	Cepharadione B; O2,N-Di-de-Me 	C17H11NO4	293.068807	NA	MeJP	NA	NA
+MJ025157	Chaloridone 	C17H11NO4	293.068807	NA	MeJP	NA	NA
+MJ025158	Furalazine; 3-N-Bis(hydroxymethyl) 	C11H11N5O5	293.076018	NA	MeJP	NA	NA
+MJ025159	Antibiotic X 372A 	C10H16ClN3O5	293.077848	NA	MeJP	NA	NA
+C16518	S-(Indolylmethylthiohydroximoyl)-L-cysteine	C13H15N3O3S	293.0834	NA	KEGG	NA	NA
+C12256	(+)-2,7-Dideoxypancratistatin	C14H15NO6	293.0899	NA	KEGG	NA	NA
+MJ025160	3,4,7,8-Tetrahydroxy-2-quinolinecarboxylic acid; NH-form, O3,O8,N-Tri-Me, Me ester 	C14H15NO6	293.089937	NA	MeJP	NA	NA
+MJ025161	Glutamic acid, N-(4-Hydroxycinnamoyl)(Z-) 	C14H15NO6	293.089937	NA	MeJP	NA	NA
+MJ025162	Lycoricidine, 1,10b?-Dihydro 	C14H15NO6	293.089937	NA	MeJP	NA	NA
+MJ025163	Reductiomycin 	C14H15NO6	293.089937	NA	MeJP	NA	NA
+C11156	Triadimefon	C14H16ClN3O2	293.0931	NA	KEGG	NA	NA
+C11157	Transferred to D01044	C14H16ClN3O2	293.0931	NA	KEGG	NA	NA
+MJ025164	Amipizone 	C14H16ClN3O2	293.093104	NA	MeJP	NA	NA
+MetaCyc02619	triadimefone []	C14H16N3O2CL1	293.093104	NA	metacyc	NA	NA
+PJ000194	GSM 	C10H19N3O5S	293.1046	NA	PeJP	NA	NA
+MJ025165	2-Methyl-1H-indole-3-acetic acid; N-Benzoyl 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025166	4,5-Diphenyl-2-oxazolepropanoic acid 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025167	Anonaine, N-Formyl 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025168	Clausamine B, O-De-Me 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025169	Clauszoline B 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025170	Constrictosine; 3-Me ether 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025171	De-N-methylnoracronycine 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025172	Dehydroxylopine 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025173	Gusanlung D 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025174	Heptazolicine; 1,2-Didehydro 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025175	Laureline, N-De-Me; 6,6a-didehydro 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025176	Noracronycine; N-De-Me 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025177	Pyrayaquinone A 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+MJ025178	Pyrayaquinone B 	C18H15NO3	293.105193	NA	MeJP	NA	NA
+C07356	Oxaprozin	C18H15NO3	293.1052	NA	KEGG	NA	NA
+MJ025179	3,4-Dihydroxy-3-hydroxymethylbutanoic acid; Nitrile, 4-O-?-D-glucopyranoside (3R-) 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MJ025180	4-Hydroxy-2-pyrrolidinecarboxylic acid, ?-D-Galactopyranosyl ester 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MJ025181	4-Hydroxy-2-pyrrolidinecarboxylic acid, O-?-D-Galactopyranoside 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MJ025182	Agropinic acid 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MJ025183	Muramic acid, 1'-Epimer, N-Ac 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MJ025184	Muramic acid, N-Ac 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MJ025185	N-Acetyl-D-muramoate 	C11H19NO8	293.111066	NA	MeJP	NA	NA
+MetaCyc02620	N-acetylmuramate [MurNAc;N-acetylmuramic acid;NAcMur;2-[3-acetylamino-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid;]	C11H19N1O8	293.111067	61633-75-8	metacyc	NA	NA
+C02713	N-Acetylmuramate	C11H19NO8	293.1111	NA	KEGG	NA	NA
+MJ025186	Cordycepin; 5'-Ac 	C12H15N5O4	293.112403	NA	MeJP	NA	NA
+C15040	GYKI 52466	C17H15N3O2	293.1164	NA	KEGG	NA	NA
+MJ025187	4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine 	C17H15N3O2	293.116426	NA	MeJP	NA	NA
+PJ000195	SST 	C10H19N3O7	293.1223	NA	PeJP	NA	NA
+MJ025188	Pimethixene 	C19H19NS	293.12382	NA	MeJP	NA	NA
+MJ025189	Ecgonine, O-(2-Furancarbonyl), Me ester 	C15H19NO5	293.126322	NA	MeJP	NA	NA
+MJ025190	Ecgonine, O-(3-Furancarbonyl), Me ester 	C15H19NO5	293.126322	NA	MeJP	NA	NA
+MJ025191	Mescaline succinimide 	C15H19NO5	293.126322	NA	MeJP	NA	NA
+MJ025192	Obscurolide C2? 	C15H19NO5	293.126322	NA	MeJP	NA	NA
+MetaCyc02621	paclobutrazol [friazole;clipper 50WP;caswell No. 628C;]	C15H20N3O1CL1	293.12949	NA	metacyc	NA	NA
+PJ000196	QF 	C14H19N3O4	293.1376	NA	PeJP	NA	NA
+MJ025193	2-(3,4-Dihydroxyphenethyl)quinoline; Di-Me ether 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025194	4-(5-Phenylpentyl)-1H-indole-2,3-dione 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025195	Annoretine 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025196	Atanisatine 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025197	Clausine D; Me ether 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025198	Clauszoline H 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025199	Dehydronuciferine 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025200	Eustifoline A; 2-Methoxy 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025201	Heptazolidine 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025202	Indizoline 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025203	Koenine; Me ether 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025204	Mupamine 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025205	Pyrayafoline A 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025206	Stephenanthrine 	C19H19NO2	293.141578	NA	MeJP	NA	NA
+MJ025207	Roemerine, N-Me 	C19H20NO2(+)	293.141578	NA	MeJP	NA	NA
+C09222	Melosatin B	C19H19NO2	293.1416	NA	KEGG	NA	NA
+MJ025208	1-(Benzo[b]thiophen-5-yl)-2-(diethylaminoethoxy)ethanol 	C16H23NO2S	293.144949	NA	MeJP	NA	NA
+20	Hemoglobin	WVPSV	293.15	MH2+	Inhouse_peptide	NA	peptide
+HMDB05035	Ondansetron	C18H19N3O	293.1528	http://www.hmdb.ca/metabolites/HMDB05035	HMDB	NA	NA
+C07325	Ondansetron	C18H19N3O	293.1528	NA	KEGG	NA	NA
+HMDB05035	Ondansetron	C18H19N3O	293.1528	HMDB05035	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05035	Ondansetron	C18H19N3O	293.152802	NA	HMDB2010	NA	NA
+MJ025209	Fabesetron 	C18H19N3O	293.152812	NA	MeJP	NA	NA
+MJ025210	Galdansetron 	C18H19N3O	293.152812	NA	MeJP	NA	NA
+MJ025211	N-(2-Methylaminobenzoyl)tryptamine 	C18H19N3O	293.152812	NA	MeJP	NA	NA
+MJ025212	N-[2-(Dimethylamino)ethyl]-4-acridinecarboxamide 	C18H19N3O	293.152812	NA	MeJP	NA	NA
+MJ025213	Ondansetron 	C18H19N3O	293.152812	NA	MeJP	NA	NA
+MJ025214	Tambjamine A; 1''-N-(2-Phenylethyl) 	C18H19N3O	293.152812	NA	MeJP	NA	NA
+MJ025215	Dimazole 	C15H23N3OS	293.156183	NA	MeJP	NA	NA
+3692	NA	EIPKT	293.1595	MH2+	Inhouse_peptide	NA	peptide
+3693	NA	TKPIE	293.1595	MH2+	Inhouse_peptide	NA	peptide
+7692	ACE inhibitor	KF	293.162	antioxidative	Inhouse_peptide	NA	peptide
+8248	Renin inhibitor	KF	293.162	Dipeptides  ;SYN:Anserine; L-Anserine; L-N-b-alanyl-3-methyl-Histidine; N-b-alanyl-3-methyl-L-Histidine; N-beta-Alanyl-3-methyl-L-histidine; beta-alanyl-N(pai)-methyl-L-histidine; L-N-beta-alanyl-3-methyl-HistidineH2Blood; Urine	Inhouse_peptide	NA	peptide
+8249	CaMPDE inhibitor	KF	293.162	Dipeptides  ;SYN:Anserine; L-Anserine; L-N-b-alanyl-3-methyl-Histidine; N-b-alanyl-3-methyl-L-Histidine; N-beta-Alanyl-3-methyl-L-histidine; beta-alanyl-N(pai)-methyl-L-histidine; L-N-beta-alanyl-3-methyl-HistidineH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ025216	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, 2-methylpropylamide 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+MJ025217	3-Hydroxy-2-oxodendrobine 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+MJ025218	Anisomycin, O-De-Ac, 3-butanoyl 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+MJ025219	Cinamolol 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+MJ025220	Delavayine C 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+MJ025221	Promolate 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+MJ025222	Streptimidone 	C16H23NO4	293.162708	NA	MeJP	NA	NA
+C08159	Anastrozole	C17H19N5	293.164	NA	KEGG	NA	NA
+MJ025223	Anastrozole 	C17H19N5	293.164045	NA	MeJP	NA	NA
+PJ000197	KF 	C15H23N3O3	293.174	NA	PeJP	NA	NA
+MJ025224	Nafenodone 	C20H23NO	293.177964	NA	MeJP	NA	NA
+MJ025225	Nortriptyline; N-Me, N-oxide 	C20H23NO	293.177964	NA	MeJP	NA	NA
+MJ025226	Oxaprotiline 	C20H23NO	293.177964	NA	MeJP	NA	NA
+MJ025227	Quifenadine 	C20H23NO	293.177964	NA	MeJP	NA	NA
+MJ025228	Amitraz, ANSI 	C19H23N3	293.189197	NA	MeJP	NA	NA
+MJ025229	Binedaline 	C19H23N3	293.189197	NA	MeJP	NA	NA
+MJ025230	Dabequine 	C19H23N3	293.189197	NA	MeJP	NA	NA
+MJ025231	Prodigiosin; Demethoxy 	C19H23N3	293.189197	NA	MeJP	NA	NA
+C10995	Amitraz	C19H23N3	293.1892	NA	KEGG	NA	NA
+MJ025232	2-Amino-5-hydroxybenzoic acid; 8-Methylnonyl ester 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025233	3,4-Dihydroxybenzylamine; 3-Me ether, N-(7-methyloctanoyl) 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025234	4-Butoxybenzoic acid; 2-(Diethylamino)ethyl ester 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025235	Embutramide 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025236	Nobiline 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025237	Nonivamide 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025238	Pramocaine 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MJ025239	Sedinone; Hydroxy, 2''-alcohol 	C17H27NO3	293.199093	NA	MeJP	NA	NA
+MetaCyc02622	(+-)-5-[(tert-butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol []	C17H27N1O3	293.199094	NA	metacyc	NA	NA
+C04875	(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-	C17H27NO3	293.1991	NA	KEGG	NA	NA
+C07892	Pramoxine	C17H27NO3	293.1991	NA	KEGG	NA	NA
+C07893	Transferred to D00739	C17H27NO3	293.1991	NA	KEGG	NA	NA
+C07894	Transferred to D00740	C17H27NO3	293.1991	NA	KEGG	NA	NA
+MJ025240	1-(3,3-Diphenylpropyl)hexahydro-1H-azepine 	C21H27N	293.214349	NA	MeJP	NA	NA
+MJ025241	4,4-Diphenylcyclohexylamine; N-Isopropyl 	C21H27N	293.214349	NA	MeJP	NA	NA
+MJ025242	4,4-Diphenylpiperidine; N-tert-Butyl 	C21H27N	293.214349	NA	MeJP	NA	NA
+MJ025243	Butriptyline 	C21H27N	293.214349	NA	MeJP	NA	NA
+MJ025244	Prindamine 	C21H27N	293.214349	NA	MeJP	NA	NA
+MJ025245	2,4,8-Tetradecatrienoic acid, 2-Hydroxy-2-methylpropylamide 	C18H31NO2	293.235479	NA	MeJP	NA	NA
+MJ025246	8-Oxo-2,4-tetradecadienoic acid, 2-Methylpropylamide 	C18H31NO2	293.235479	NA	MeJP	NA	NA
+MJ025247	Ketocainol 	C18H31NO2	293.235479	NA	MeJP	NA	NA
+MJ025248	Loesenerine; 17,18Z-Dihydro, N-de-Ac 	C17H31N3O	293.246712	NA	MeJP	NA	NA
+MJ025249	Palustrine, Deoxy 	C17H31N3O	293.246712	NA	MeJP	NA	NA
+MJ025250	2,5-Dialkylpyrrolidines; 2-(5-Hexenyl)-5-nonylpyrrolidine, N-Me 	C20H39N	293.30825	NA	MeJP	NA	NA
+3429	NA	EILDV	293.65245	MH2+	Inhouse_peptide	NA	peptide
+2652	synthetic fr, of human beta-CN (168-172) ACE inhibitor	VLPYP	293.6595	MH2+	Inhouse_peptide	NA	peptide
+3613	NA	RKLDG	293.66345	MH2+	Inhouse_peptide	NA	peptide
+3616	NA	KRLDG	293.66345	MH2+	Inhouse_peptide	NA	peptide
+2718	erythromycin inhibitor	MVIIL	293.6802	MH2+	Inhouse_peptide	NA	peptide
+C15227	Potassium dichromate	Cr2O7	293.7728	NA	KEGG	NA	NA
+C03925	3,5-Dibromo-4-hydroxybenzoate	C7H4Br2O3	293.8527	NA	KEGG	NA	NA
+MJ025251	2,3-Dibromo-4,5-dihydroxybenzaldehyde 	C7H4Br2O3	293.852719	NA	MeJP	NA	NA
+MJ025252	2,3-Dibromo-5-hydroxy-1,4-benzoquinone; Me ether 	C7H4Br2O3	293.852719	NA	MeJP	NA	NA
+MetaCyc02623	3,5-dibromo-4-hydroxybenzoate []	C7H4O3BR2	293.852719	NA	metacyc	NA	NA
+MJ025253	(2-Methylpropyl)heptathiocane 	C5H10S7	293.882745	NA	MeJP	NA	NA
+MJ025254	Sodium tungstate(VI) (Na2WO4) 	Na2O4W	293.91013	NA	MeJP	NA	NA
+MJ025255	2,3,5-Tris(methylthio)-1,4-benzenediol; 6-(Methylthio) 	C10H14O2S4	293.987662	NA	MeJP	NA	NA
+C04175	2-Deoxy-D-ribose 1,5-bisphosphate	C5H12O10P2	293.9906	NA	KEGG	NA	NA
+C06248	D-Ribose 1-diphosphate	C5H12O10P2	293.9906	NA	KEGG	NA	NA
+C06249	Apo-[carboxylase]	C7H13N3O2R2	293.9906	NA	KEGG	NA	NA
+C06250	Holo-[carboxylase]	C17H27N5O4SR2	293.9906	NA	KEGG	NA	NA
+MJ025256	Phorbazole D; 3-Chloro 	C13H8Cl2N2O2	293.996282	NA	MeJP	NA	NA
+MJ025257	Cliprofen 	C14H11ClO3S	294.011742	NA	MeJP	NA	NA
+C14237	4-[2,2-Dichloro-1-(4-methoxyphenyl)ethenyl]phenol	C15H12Cl2O2	294.0214	NA	KEGG	NA	NA
+MJ025258	Nuclomedone 	C13H11ClN2O2S	294.022976	NA	MeJP	NA	NA
+MetaCyc02624	DCPIP [2,6-dichlorophenolindophenol;]	C14H12N2O1CL2	294.032668	NA	metacyc	NA	NA
+MJ025259	Hexahydroxy-1,4-naphthoquinone; 2,3-Di-Me, 6,7-methylene ether 	C13H10O8	294.037567	NA	MeJP	NA	NA
+C10406	Tricrozarin A	C13H10O8	294.0376	NA	KEGG	NA	NA
+MJ025260	Kumepaloxane 	C12H20BrClO	294.038605	NA	MeJP	NA	NA
+MJ025261	Citreochlorol 	C12H16Cl2O4	294.042564	NA	MeJP	NA	NA
+MJ025262	Methoxybrassenin B 	C13H14N2O2S2	294.049669	NA	MeJP	NA	NA
+MJ025263	Wasalexin A 	C13H14N2O2S2	294.049669	NA	MeJP	NA	NA
+MJ025264	Aristololide 	C17H10O5	294.052823	NA	MeJP	NA	NA
+MJ025265	Aurantricholide B; 4'-Deoxy 	C17H10O5	294.052823	NA	MeJP	NA	NA
+MJ025266	Frutinone A; 4-Methoxy 	C17H10O5	294.052823	NA	MeJP	NA	NA
+MJ025267	Ligustrone A; O-De-Me 	C17H10O5	294.052823	NA	MeJP	NA	NA
+MJ025268	1-(4-Chlorobenzoyl)-1,2-dihydro-2-quinolinecarbonitrile 	C17H11ClN2O	294.05599	NA	MeJP	NA	NA
+MJ025269	Nifurmazole 	C11H10N4O6	294.060034	NA	MeJP	NA	NA
+MetaCyc02625	pyrimidine-5-nucleotide []	C9H15N2O7P1	294.061687	NA	metacyc	NA	NA
+MJ025270	12-Bromo-5,13-epoxy-3,6,9-pentadecatrien-1-yne 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025271	13-Bromo-5,12-epoxy-3,6,9-pentadecatrien-1-yne 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025272	15-Bromo-1,3(15),7-chamigratrien-9-one 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025273	9-(Bromomethylene)-1,2,5-trimethylspiro[5.5]undeca-1,7-dien-3-one 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025274	Aplysin 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025275	Cupalaurenol 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025276	Cyclolaurene; 10-Bromo, 7-hydroxy 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025277	Cyclolaurene; 7-Bromo, 10-hydroxy 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025278	Cyclolaurene; 8-Bromo, 7-hydroxy 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025279	Filiformin 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025280	Isolaurenisol 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025281	Isolaurinterol 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025282	Laurene; 7-Hydroxy, 10-bromo 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025283	Laurenisol 	C15H19BrO	294.061927	NA	MeJP	NA	NA
+MJ025284	Chloculol 	C15H15ClO4	294.065886	NA	MeJP	NA	NA
+MJ025285	Estazolam 	C16H11ClN4	294.067224	NA	MeJP	NA	NA
+MJ025286	2-C-Methyl-1,4-erythronolactone, 3-O-(3,4-Dihydroxycinnamoyl) 	C14H14O7	294.073952	NA	MeJP	NA	NA
+C17017	Cyclic de-hypoxanthine futalosine	C14H14O7	294.074	NA	KEGG	NA	NA
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR365	Folate F2	NA	294.074775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR365	Folate F2	NA	294.074775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR365	Folate F2	NA	294.074775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR365	Folate F2	F2	294.074775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR365	Folate F2	NA	294.074775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR365	Folate F2	F2	294.074775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ025287	Cysul 	C12H14N4O3S	294.078661	NA	MeJP	NA	NA
+MJ025288	Sulfacitine 	C12H14N4O3S	294.078661	NA	MeJP	NA	NA
+MJ025289	Sulfametomidine 	C12H14N4O3S	294.078661	NA	MeJP	NA	NA
+C13785	TRAM-3	C19H15ClO	294.0811	NA	KEGG	NA	NA
+MJ025290	Acromelic acid A; 6-Deoxo, 5,6-didehydro 	C13H14N2O6	294.085186	NA	MeJP	NA	NA
+MJ025291	Sarubicin A 	C13H14N2O6	294.085186	NA	MeJP	NA	NA
+MJ025292	N-?-Glutamylmethionine, S-Oxide 	C10H18N2O6S	294.088557	NA	MeJP	NA	NA
+MJ025293	N-?-Glutamylmethionine; L-L-form, S-Oxide 	C10H18N2O6S	294.088557	NA	MeJP	NA	NA
+C10055	Dehydrocycloguanandin	C18H14O4	294.0892	NA	KEGG	NA	NA
+FL1B19NF0001	Castillene A	C18H14O4	294.0892	126585-60-2	knapsack	NA	NA
+FL1CHYNF0003	Pongamol	C18H14O4	294.0892	484-33-3	knapsack	NA	NA
+FL2F29NF0001	6-Methoxy-[2'',3'':7,8]furanoflavanone	C18H14O4	294.0892	500342-66-5	knapsack	NA	NA
+FL4D19NF0001	3-Methoxy-[2'',3'':7,8]furanoflavanone	C18H14O4	294.0892	329027-34-1	knapsack	NA	NA
+FLIA19NM0003	7-Acetyloxy-2-methylisoflavone	C18H14O4	294.0892	3211-63-0	knapsack	NA	NA
+FLIA19NM0004	Glyzarin	C18H14O4	294.0892	62820-28-4	knapsack	NA	NA
+FLID1ANF0003	9-O-Methylneodunol	C18H14O4	294.0892	53833-80-0	knapsack	NA	NA
+MJ025294	1,2,7,8-Pyrenetetrol; 1,8-Di-Me ether 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025295	1,2-Dihydro-1,6-dimethylfuro[3,2-c]naphth[2,1-e]oxepine-10,12-dione 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025296	14,16-Epoxy-3-hydroxy-19,20-dinor-4(18),5,7,9,13,15-abietahexaene-11,12-dione; 3?-form 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025297	2,3-Dihydro-3-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025298	3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one; Me ether 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025299	7-Hydroxy-2-methylisoflavone; Ac 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025300	Castillene B; O3-De-Me, 3-ketone 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025301	Dehydrocycloguanandin 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025302	Glyzarin 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025303	Hypericanarin B 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025304	Hyperxanthone; 5-Deoxy 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025305	Neodunol; Me ether 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025306	Pongamol 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025307	Psorothamnone B 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025308	Rubrolide E; 4''-Me ether 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025309	Tanshinketolactone 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025310	Trijuganone A 	C18H14O4	294.089208	NA	MeJP	NA	NA
+MJ025311	Didemnoline A; Debromo 	C16H14N4S	294.093917	NA	MeJP	NA	NA
+MJ025312	3,4-Dihydroxy-2-methylenebutanoic acid, ?-D-Glucopyranosyl ester 	C11H18O9	294.095082	NA	MeJP	NA	NA
+MJ025313	3,4-Dihydroxy-2-methylenebutanoic acid, D-Glucopyranos-6-yl ester 	C11H18O9	294.095082	NA	MeJP	NA	NA
+MJ025314	6-Tuliposide A; 3'S-Hydroxy 	C11H18O9	294.095082	NA	MeJP	NA	NA
+MJ025315	Amabiose 	C11H18O9	294.095082	NA	MeJP	NA	NA
+MetaCyc02626	&alpha;-D-fructofuranose &beta;-D-fructofuranose 1,2':2,3'-dianhydride [DFA III;]	C11H18O9	294.095082	NA	metacyc	NA	NA
+C08570	Tuliposide B	C11H18O9	294.0951	NA	KEGG	NA	NA
+MJ025316	Cyclopenin 	C17H14N2O3	294.100442	NA	MeJP	NA	NA
+MJ025317	Pedatisectine C 	C17H14N2O3	294.100442	NA	MeJP	NA	NA
+MJ025318	Rosoxacin 	C17H14N2O3	294.100442	NA	MeJP	NA	NA
+MJ025319	Bucloxic acid 	C16H19ClO3	294.102272	NA	MeJP	NA	NA
+C03411	N-Glycosyl-L-asparagine	C10H18N2O8	294.1063	NA	KEGG	NA	NA
+C03412	N-Palmitoylglycoprotein	C10H18N2O8	294.1063	NA	KEGG	NA	NA
+MJ025320	Distichonic acid A 	C10H18N2O8	294.106315	NA	MeJP	NA	NA
+CJpos0704	1-methylnicotinamide 2-Methylnicotinamide [(2M-H)+Na]+	C14H16N4NaO2	294.108675	C18rt(min)=0.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0704	1-methylnicotinamide § 2-Methylnicotinamide [(2M-H)+Na]+	C14H16N4NaO2	294.108675	C18rt(min)=0.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+8250	CaMPDE inhibitor	EF	294.11	Short chain acyl carnitines  ;SYN:(-)-Acetylcarnitine; (R)-Acetylcarnitine; ALCAR; Acetyl-L-(-)-carnitine; Acetyl-L-carnitine; Acetylcarnitine; L-Acetylcarnitine; L-Carnitine acetyl ester; L-O-Acetylcarnitine; Levocarnitine acetyl; Nicetile; O-Acetyl-L-carnitine; O-Acetylcarnitine; (+-)-Acetylcarnitine; Acetyl-carnitineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+8251	Renin inhibitor	EF	294.11	Short chain acyl carnitines  ;SYN:(-)-Acetylcarnitine; (R)-Acetylcarnitine; ALCAR; Acetyl-L-(-)-carnitine; Acetyl-L-carnitine; Acetylcarnitine; L-Acetylcarnitine; L-Carnitine acetyl ester; L-O-Acetylcarnitine; Levocarnitine acetyl; Nicetile; O-Acetyl-L-carnitine; O-Acetylcarnitine; (+-)-Acetylcarnitine; Acetyl-carnitineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+C09570	Tutin	C15H18O6	294.1103	NA	KEGG	NA	NA
+MJ025321	1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025322	4,5-Dihydroxy-1(10),7(11)-germacradiene-12,8:15,6-diolide 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025323	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 8-O-(4-hydroxy-3-methylbutyl) 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025324	5,9,10-Trihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025325	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), O8-Me 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025326	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(2,3-Dihydroxy-3-methylbutyl), O7-Me 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025327	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2,3-Dihydroxy-3-methylbutyl) 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025328	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025329	?-Tutin 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025330	Aduncin 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025331	Antibiotic LL-D253?; 7-Ac 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025332	Araneophthalide 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025333	Arteludovicinolide B; 2-Epimer 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025334	Arteludovicinolide D 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025335	Asteromurin A 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025336	Chilenone B 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025337	Chrysanthone C 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025338	Citreoviranol 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025339	Corianin 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025340	Crithmifolide 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025341	Dendryol B 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025342	Diversonol 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025343	Italicic acid; 3',4'-Dihydro 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025344	Italicinic acid 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025345	Merrilactone A 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025346	Pentalenolactone F; 1?-Hydroxy 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025347	Pentalenolactone O 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025348	Phomopsolide A 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025349	Riburonic acid; ?-D-Furanose-form, Benzyl glycoside, 2,3-O-isopropylidene 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025350	Scytalol A 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025351	Tutin 	C15H18O6	294.110338	NA	MeJP	NA	NA
+MJ025352	Zhebeiresinol; 7-Epimer, Me ether 	C15H18O6	294.110338	NA	MeJP	NA	NA
+3083	NA	DSDPR	294.1194	MH2+	Inhouse_peptide	NA	peptide
+3327	NA	DSDPR	294.1194	MH2+	Inhouse_peptide	NA	peptide
+MJ025353	?-Glutamyl-?-phenyl-?-alanine; L-L-form 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025354	?-Glutamyl-?-phenyl-?-alanine; LGlu-D-form 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025355	Acitemate 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025356	Antibiotic RK 1441A 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025357	Aspartame 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025358	Chicamycin A 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025359	Kelatorphan 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025360	Lidofenin 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025361	N-?-Glutamylphenylalanine; L-L-form 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MJ025362	N-Alanyltyrosine; L-L-form, N-Ac 	C14H18N2O5	294.121571	NA	MeJP	NA	NA
+MetaCyc02627	aspartame []	C14H18N2O5	294.121572	NA	metacyc	NA	NA
+HMDB00594	Glutamylphenylalanine	C14H18N2O5	294.12158	http://www.hmdb.ca/metabolites/HMDB00594	HMDB	NA	NA
+HMDB01894	Aspartame	C14H18N2O5	294.12158	http://www.hmdb.ca/metabolites/HMDB01894	HMDB	NA	NA
+HMDB00594	Glutamylphenylalanine	C14H18N2O5	294.12158	HMDB00594	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01894	Aspartame	C14H18N2O5	294.12158	HMDB01894	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00594	Glutamylphenylalanine	C14H18N2O5	294.121582	NA	HMDB2010	NA	NA
+HMDB01894	Aspartame	C14H18N2O5	294.121582	NA	HMDB2010	NA	NA
+C11045	Aspartame	C14H18N2O5	294.1216	NA	KEGG	NA	NA
+PJ000198	EF 	C14H18N2O5	294.1216	NA	PeJP	NA	NA
+MJ025363	1,13-Diisothiocyanato-1,12-tridecadiene 	C15H22N2S2	294.12244	NA	MeJP	NA	NA
+MJ025364	Meribendan 	C15H14N6O	294.122909	NA	MeJP	NA	NA
+MJ025365	1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025366	18(4?3)-Abeo-2-hydroxy-20-nor-1,3,5(10),6,8,13-abietahexaene-11,12-dione 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025367	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-5-(1-propenyl)benzofuran, 3',4'-Methylene ether 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025368	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Methoxy, Me ether 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025369	4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol, Di-Me ether 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025370	Alnusone 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025371	Eupomatenoid 6; 3'-Methoxy 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025372	Eupomatenoid 6; 7-Methoxy 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025373	Isotanshinone IIB; 18-Deoxy 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025374	Tanshinone II 	C19H18O3	294.125594	NA	MeJP	NA	NA
+MJ025375	Trideoxy-8-asadaninene 	C19H18O3	294.125594	NA	MeJP	NA	NA
+C15049	(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone	C19H18O3	294.1256	NA	KEGG	NA	NA
+MJ025376	3-Hydroxybutanoic acid, Et ester, O-?-D-glucopyranoside 	C12H22O8	294.131467	NA	MeJP	NA	NA
+MJ025377	Arginine, N2-(4-Hydroxybenzoyl) 	C13H18N4O4	294.132805	NA	MeJP	NA	NA
+C15193	2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	C18H18N2O2	294.1368	NA	KEGG	NA	NA
+MJ025378	3,6-Dibenzyl-2,5-piperazinedione 	C18H18N2O2	294.136827	NA	MeJP	NA	NA
+MJ025379	3-[(2,4-Dimethoxyphenyl)methylene]-3,4,5,6-tetrahydro-2,3'-bipyridine, 4-O-De-Me 	C18H18N2O2	294.136827	NA	MeJP	NA	NA
+MJ025380	10-Chloro-1,16-heptadecadiene-4,6-diyne-3,9-diol 	C17H23ClO2	294.138657	NA	MeJP	NA	NA
+MJ025381	6-Acetoxy-7-chloro-3,9,12-pentadecatrien-1-yne 	C17H23ClO2	294.138657	NA	MeJP	NA	NA
+MJ025382	7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol, Ac 	C17H23ClO2	294.138657	NA	MeJP	NA	NA
+MJ025383	(2-Hexanoyl-3,5-dihydroxyphenyl)acetic acid; Et ester 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025384	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025385	1,13-Dihydroxy-4-oxo-2-pseudoguaien-12,6-olide, 13-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025386	1,4,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide, 1-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025387	1,4-Dihydroxy-9-oxo-1,3,5-bisabolatrien-15-oic acid, Me ester 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025388	1,5:3,4-Diepoxy-10-hydroxy-12,6-guaianolide, Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025389	1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanone; 3,5-Di-Me ether, 4-O-(3-methyl-2-butenyl) 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025390	1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-(4-Hydroxyphenylacetyl) 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025391	15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, Me ester 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025392	2-Hydroxylemnoliadione; Ac 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025393	3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic acid 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025394	4,5-Epoxy-3,10-dihydroxy-1-guaien-12,6-olide, 10-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025395	5,10-Epoxypinguisan-11,6-olid-15-oic acid, Me ester 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025396	5,7,8-Trihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7,8-Tri-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025397	6-Hydroxy-5(10)-pinguisen-11,6-olid-15-oic acid; 6àOH-form, 6-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025398	7-Hydroxy-13,14,15,16-tetranor-3-cleroden-18,19-olide 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025399	8-Acetyl-5,6,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran; 1'-Alcohol, 5,6,7-tri-Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025400	8-Hydroxy-13,14,15,16-tetranor-6-labden-12,17-olid-19-oic acid; 8?-form 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025401	8-Hydroxy-8-methoxy-3-oxo-1,7(11)-eremophiladien-12-oic acid 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025402	9-Hydroxy-13,14,15,16-tetranor-7-labden-12,17-olid-19-oic acid; 9?-form 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025403	Altamisic acid; Me ester 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025404	Emmotin A; 15-Hydroxy 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025405	Evodione; 1'-Alcohol 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025406	Gregatin C 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025407	Illicinone E; Me ether 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025408	Lasiodiplodin, 5R-Hydroxy, O-de-Me 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025409	Lasiodiplodin, 6R-Hydroxy, O-de-Me 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025410	Nivefuranone A; 1',2'-Dihydro, 2'-methoxy 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025411	Phacidin 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025412	Phaseic acid, Me ester 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025413	Sinapyl alcohol, 1-O-(3-Methylbutanoyl) 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025414	Tagetolone; 4,5-Didehydro(Z-), 15-hydroxy 	C16H22O5	294.146723	NA	MeJP	NA	NA
+MJ025415	Tocopheronic acid 	C16H22O5	294.146723	NA	MeJP	NA	NA
+3381	ACE inhibitor	LY	294.147	celiac toxic	Inhouse_peptide	NA	peptide
+3383	ACE inhibitor	IY	294.147	celiac toxic	Inhouse_peptide	NA	peptide
+3550	ACE inhibitor (from bovine beta-Lg)	YL	294.147	ACE inhibitor	Inhouse_peptide	NA	peptide
+7872	peptide from soybean protein isolates: beta-conglycinin and glycinin	LY	294.147	antioxidative	Inhouse_peptide	NA	peptide
+7873	peptide from soybean protein isolates: beta-conglycinin and glycinin	IY	294.147	antioxidative	Inhouse_peptide	NA	peptide
+8310	Anxiolytic peptide	YL	294.147	Aliphatic glycine conjugates  ;SYN:2-(3-methylbutanoylamino)ethanoate; 2-(3-methylbutanoylamino)ethanoic acid; Isovalerylglycine; N-Isovaleroylglycine; N-isovaleryl-glycine; [(3-methylbutanoyl)amino]acetate; [(3-methylbutanoyl)amino]acetic acid;3-methylbutyrylglycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ025416	Alosetron 	C17H18N4O	294.148061	NA	MeJP	NA	NA
+MJ025417	3-Aminopiperidine, 3-N-(3,4,5-Trimethoxybenzoyl) 	C15H22N2O4	294.157957	NA	MeJP	NA	NA
+MJ025418	N-(3-Amino-2-hydroxy-1-oxo-4-phenylbutyl)valine 	C15H22N2O4	294.157957	NA	MeJP	NA	NA
+MJ025419	Subaphylline; 5'-Methoxy 	C15H22N2O4	294.157957	NA	MeJP	NA	NA
+PJ000199	LY 	C15H22N2O4	294.158	NA	PeJP	NA	NA
+MJ025420	1,6-Bis(4-methoxyphenyl)-1,5-hexadiene 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025421	2,3-Bis(3-methyl-2-butenyl)-1,4-naphthoquinone 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025422	2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Mono-Me ether 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025423	7-Hydroxy-2,2-dimethyl-5-(2-phenylethyl)-2H-1-benzopyran; Me ether 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025424	Eryvariestyrene 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025425	Hermosillol; Me ether 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025426	Norgestrienone 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025427	Radulanin A; Me ether 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025428	Tylimanthin B; Me ether 	C20H22O2	294.161979	NA	MeJP	NA	NA
+MJ025429	1,10-Bis(2-hydroxyethylthio)decane 	C14H30O2S2	294.168721	NA	MeJP	NA	NA
+C06528	Cinchonine	C19H22N2O	294.1732	NA	KEGG	NA	NA
+C09149	Eburnamonine	C19H22N2O	294.1732	NA	KEGG	NA	NA
+C11379	Cinchonidine	C19H22N2O	294.1732	NA	KEGG	NA	NA
+C11635	10-Deoxysarpagine	C19H22N2O	294.1732	NA	KEGG	NA	NA
+C16735	Corynantheal	C19H22N2O	294.1732	NA	KEGG	NA	NA
+C16736	Thiol-containing reductant	HSR	294.1732	NA	KEGG	NA	NA
+MJ025430	Amedalin 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025431	Apparicine, 10-Methoxy 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025432	Benanserin 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025433	C-Mavacurine; N-De-Me 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025434	Caracurine VII; Deoxy 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025435	Cinchonine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025436	Corynantheal 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025437	Eburnamine, 16-Epimer, 14,15-didehydro 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025438	Eburnamonine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025439	Geissoschizol; Aldehyde 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025440	Henningsiine; N-De(hydroxyacetyl) 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025441	Homocinchonidine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025442	Ketimipramine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025443	Kopsinone; 17?-Alcohol, N-de(carbomethoxy) 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025444	Koumidine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025445	Lahoricine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025446	Larutensine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025447	Methuenine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025448	Noxiptiline 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025449	Quinicine; Demethoxy 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025450	Retulinal; 16-Epimer, de-Ac 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025451	Rhazinilam 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025452	Strempeliopine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025453	Strictalamine; 16-Epimer, 17-alcohol 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025454	Tacamonine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025455	Tetraphyllicine; N-De-Me 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025456	Tombozine 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025457	Tubotaiwinal 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025458	Zenkerene; N4-Oxide 	C19H22N2O	294.173213	NA	MeJP	NA	NA
+MJ025459	Dihydrocorynantheol, 3,4,5,6-Tetradehydro 	C19H23N2O(+)	294.173213	NA	MeJP	NA	NA
+MetaCyc02628	10-deoxysarpagine [sarpagan-17-ol;]	C19H22N2O1	294.173213	NA	metacyc	NA	NA
+2724	erythromycin inhibitor	MVLKV	294.1772	MH2+	Inhouse_peptide	NA	peptide
+C09709	Phytuberin	C17H26O4	294.1831	NA	KEGG	NA	NA
+C10342	Embelin	C17H26O4	294.1831	NA	KEGG	NA	NA
+C10462	[6]-Gingerol	C17H26O4	294.1831	NA	KEGG	NA	NA
+HMDB05783	Gingerol	C17H26O4	294.183105	NA	HMDB2010	NA	NA
+MJ025460	1(10),4(15)-Germacradiene-2,5,11-triol, 5-Ketone, 2-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025461	1,10-Epoxy-4(15),11-germacradiene-5,9-diol, 9-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025462	1,3,11(13)-Elematriene-12,14,15-triol; 15-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025463	1,7-Dihydroxy-2,10-bisaboladien-4-one; 1-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025464	1-Hydroxy-2,10-bisaboladien-15-oic acid; Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025465	10(14)-Aromadendrene-2,3,4-triol, 2-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025466	12-Hydroxy-1(10),4,7(11)-germacratrien-8-one, 4?,5?-Epoxide, 7?,11?-dihydro, Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025467	12-Hydroxy-1(10),7(11)-germacradiene-5,8-dione, 7?,11-Dihydro, Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025468	14,15,16-Trinor-1(10)-halimene-13,18-dioic acid; ent-form 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025469	14,15,16-Trinor-3-clerodene-13,18-dioic acid; ent-form 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025470	14,15,16-Trinor-8(17)-labdene-13,19-dioic acid 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025471	14,15,17-Trinor-8,13-dioxo-19-labdanoic acid 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025472	2,3-Dihydroxy-5-undecyl-1,4-benzoquinone 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025473	2,5-Dihydroxy-3-undecyl-1,4-benzoquinone 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025474	2,8-Neolemnadiene-4,5,10-triol, 4-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025475	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025476	3,5-Dihydroxy-1,6,10-farnesatrien-9-one, 5-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025477	4(15),10(14),11-Germacratriene-1,5,9-triol, 1-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025478	4(15),10(14),11-Germacratriene-1,5,9-triol, 9-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025479	4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025480	5(14),10-Cyclofarnesadiene-2,4,9-triol; 4-Ketone, 2-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025481	5,10-Dihydroxy-8-daucen-2-one, 10-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025482	5-Hydroxymethyl-2,4,6-tetradecatrienoic acid, Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025483	6,11-Dihydroxy-3-eudesmen-2-one; 6?-form, 6-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025484	6-Protoilludene-4,8,14-triol, 14-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025485	8,11-Dihydroxy-3-eudesmen-2-one, 8-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025486	9(12)-Capnellene-2,8,10-triol, 2-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025487	9(12)-Capnellene-3,8,10-triol, 3-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025488	9(12)-Capnellene-5,8,10-triol, 5-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025489	9(12)-Capnellene-5,8,10-triol, 8-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025490	9,11-Guaiadiene-3,4-diol, 8?-Acetoxy 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025491	Albocycline; O-De-Me 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025492	Botryenalol 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025493	Discosiolide 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025494	Lemnacarnol; 2-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025495	Octahydro-7a-methyl-1-(1-methyl-2-oxopropyl)-5-oxo-1H-indene-4-propanoic acid 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025496	Phomalactone; 2-Methyloctanoyl 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025497	Phytuberol; Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025498	Sambucoin; 2-Deoxy, 11-epimer, 3?-hydroxy, 12-Ac 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025499	Zafronic acid; O10-Et 	C17H26O4	294.183109	NA	MeJP	NA	NA
+MJ025500	[6]-Gingerol 	C17H26O4	294.183109	NA	MeJP	NA	NA
+HMDB05783	Gingerol	C17H26O4	294.18311	http://www.hmdb.ca/metabolites/HMDB05783	HMDB	NA	NA
+HMDB05783	Gingerol	C17H26O4	294.18311	HMDB05783	PFEM_hmdb_metabocards_official	NA	NA
+C07383	Proparacaine	C16H26N2O3	294.1943	NA	KEGG	NA	NA
+C07895	Propoxycaine	C16H26N2O3	294.1943	NA	KEGG	NA	NA
+C07896	Transferred to D00741	C16H26N2O3	294.1943	NA	KEGG	NA	NA
+C07897	Etanercept	C16H26N2O3	294.1943	NA	KEGG	NA	NA
+MJ025501	4,13-Dihydroxylupanine, O13-Me 	C16H26N2O3	294.194342	NA	MeJP	NA	NA
+MJ025502	Propoxycaine 	C16H26N2O3	294.194342	NA	MeJP	NA	NA
+MJ025503	Proxymetacaine 	C16H26N2O3	294.194342	NA	MeJP	NA	NA
+MJ025504	Aristolasicone; Deoxo 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025505	Aristomakine 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025506	Aristoserratenine 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025507	Aristoteline 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025508	Aspidofractinine, N1-Me 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025509	Aspidospermidine, 14,15-Didehydro, N1-Me 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025510	Dimetacrine 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025511	Hobartine 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025512	Mimbane 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025513	Trimipramine 	C20H26N2	294.209598	NA	MeJP	NA	NA
+MJ025514	Yohambinine 	C20H26N2	294.209598	NA	MeJP	NA	NA
+HMDB04668	13-OxoODE	C18H30O3	294.21948	http://www.hmdb.ca/metabolites/HMDB04668	HMDB	NA	NA
+HMDB04669	9-OxoODE	C18H30O3	294.21948	http://www.hmdb.ca/metabolites/HMDB04669	HMDB	NA	NA
+HMDB04668	13-OxoODE	C18H30O3	294.21948	HMDB04668	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04669	9-OxoODE	C18H30O3	294.21948	HMDB04669	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04668	13-OxoODE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB04669	9-OxoODE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB10200	A-12(13)-EpODE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB10203	13-HOTE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB10206	15(16)-EpODE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB10220	9(10)-EpODE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB10224	9-HOTE	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+HMDB11108	17-Hydroxylinolenic acid	C18H30O3	294.219482	NA	HMDB2010	NA	NA
+MJ025515	1,6,10-Farnesatriene-3,9-diol; 9-Propanoyl 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025516	10-Hydroxy-8-octadecen-6-ynoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025517	11,12-Epoxy-8-hydroxy-14,15-dinor-13-labdanone 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025518	11-Oxo-9,12-octadecadienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025519	12-Hydroxy-9,13,15-octadecatrienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025520	13-(2-Cyclopentenyl)tridecanoic acid, ?1-Isomer, 3-oxo 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025521	13-Hydroxy-10-oxo-11-octadecenoic acid, Lactone 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025522	13-Oxo-9,11-octadecadienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025523	15-Hydroxy-6,9,12-octadecatrien-16-olide; 6,7-Dihydro 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025524	16-Hydroxy-6,9,12-octadecatrien-15-olide; 6,7-Dihydro 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025525	16-Hydroxy-9,12,14-octadecatrienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025526	18-Hydroxy-9,11,13-octadecatrienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025527	2,5-Dihydro-5-methyl-2-oxo-3-furantridecanal 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025528	2-Decyl-6-methoxy-3,5-dimethyl-4H-pyran-4-one 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025529	2-Hydroxy-9,12,15-octadecatrienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025530	3,4-Dimethyl-5-pentyl-2-furanheptanoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025531	3,4-Dimethyl-5-propyl-2-furannonanoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025532	3,9,12-Octadecatrienoic acid, (9R*,10S*)-Epoxide 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025533	5-Hexyl-2-furanoctanoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025534	6,9,12-Octadecatrienoic acid, 12R*,13S*-Epoxide 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025535	7,8-Dihydroxy-14,15-dinor-11-labden-13-one 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025536	8-Hydroxy-11-octadecen-9-ynoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025537	9,10-Epoxy-12-octadecynoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025538	9,12,15-Octadecatrienoic acid, 12?,13?-Epoxide 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025539	9,12,15-Octadecatrienoic acid, 15?,16?-Epoxide 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025540	9,12,15-Octadecatrienoic acid, 9R*,10S*-Epoxide 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025541	9-Hydroxy-10,12,15-octadecatrienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025542	9-Hydroxy-10-octadecen-12-ynoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025543	9-Oxo-10,12-octadecadienoic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025544	Colneleic acid 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025545	Conocandin 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025546	Glanvillic acid B 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025547	Juvenile hormone I 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025548	Plakortone E 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025549	Raspailynes; Isoraspailyne B 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025550	Raspailynes; Raspailyne B 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025551	Tetrahydro-6-(3-hydroxy-4,7-tridecadienyl)-2H-pyran-2-one 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025552	[3,5-Diethyl-5-(2-methylhexyl)-2(5H)-furanylidene]acetic acid, Me ester 	C18H30O3	294.219494	NA	MeJP	NA	NA
+MJ025553	[3-Ethyl-5-(2-ethyl-3-hexenyl)tetrahydro-5-methyl-2-furanylidene]acetic acid; Me ester 	C18H30O3	294.219494	NA	MeJP	NA	NA
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	HMDB	NA	NA
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	HMDB	NA	NA
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	Inhouse_PFEM	NA	NA
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02629	3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoate [3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid;oxopentenyl-cyclopentane-octanoic acid;8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;]	C18H30O3	294.219495	NA	metacyc	NA	NA
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR121	13-oxo-ODE	C18H30O3	294.219495	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR122	9-oxo-ODE	C18H30O3	294.219495	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR121	13-oxo-ODE	C18H30O3	294.2195	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR122	9-oxo-ODE	C18H30O3	294.2195	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR121	13-oxo-ODE	C18H30O3	294.2195	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR122	9-oxo-ODE	C18H30O3	294.2195	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR121	13-oxo-ODE	C18H30O3	294.2195	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR122	9-oxo-ODE	C18H30O3	294.2195	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR121	13-oxo-ODE	C18H30O3	294.2195	Wishlist	Inhousejuil11	NA	NA
+EUR122	9-oxo-ODE	C18H30O3	294.2195	Wishlist	Inhousejuil11	NA	NA
+C04594	(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid	C18H30O3	294.2195	NA	KEGG	NA	NA
+C04780	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate	C18H30O3	294.2195	NA	KEGG	NA	NA
+C04781	Glycoprotein(non-reducing N- or O-acylneuraminyl residue)	C18H30O3	294.2195	NA	KEGG	NA	NA
+C13798	8-(5-Hexyl-furan-2-yl)-octanoic acid	C18H30O3	294.2195	NA	KEGG	NA	NA
+C14765	13-OxoODE	C18H30O3	294.2195	NA	KEGG	NA	NA
+C14766	9-OxoODE	C18H30O3	294.2195	NA	KEGG	NA	NA
+C16316	13(S)-HOT	C18H30O3	294.2195	NA	KEGG	NA	NA
+C16326	9(S)-HOT	C18H30O3	294.2195	NA	KEGG	NA	NA
+C16342	2(R)-HOT	C18H30O3	294.2195	NA	KEGG	NA	NA
+C16346	17-Hydroxylinolenic acid	C18H30O3	294.2195	NA	KEGG	NA	NA
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR493	13-Oxo-ODE F1	NA	294.221225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ025554	Huperzine J; Nb-Oxide 	C17H30N2O2	294.230728	NA	MeJP	NA	NA
+C15330	3beta-Fluoro-5alpha-androstan-17beta-ol	C19H31FO	294.2359	NA	KEGG	NA	NA
+MJ025555	1,10,13,16-Nonadecatetraene, 16,17-Dihydro,10S,11R:13S,14R-diepoxide 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025556	10,15-Cyclo-1,2,20-trisnor-6,10-phytadien-3-al; Di-Me acetal 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025557	16-Methyl-5,9-octadecadienoic acid 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025558	16-Methyl-9,12-octadecadienoic acid 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025559	17-Methyl-5,9-octadecadienoic acid 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025560	5,9-Nonadecadienoic acid 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025561	8,13-Epoxy-15-nor-14-labdanol 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MJ025562	Capensinone 	C19H34O2	294.25588	NA	MeJP	NA	NA
+MetaCyc02630	sterculate [sterculic acid;]	C19H34O2	294.25588	NA	metacyc	NA	NA
+C08366	Sterculic acid	C19H34O2	294.2559	NA	KEGG	NA	NA
+MJ025563	Pseudodistomin B 	C18H34N2O	294.267113	NA	MeJP	NA	NA
+MJ025564	13-Eicosen-10-one 	C20H38O	294.292265	NA	MeJP	NA	NA
+MJ025565	2-Phyten-1-ol, 1-Aldehyde 	C20H38O	294.292265	NA	MeJP	NA	NA
+MJ025566	Callyspinol 	C20H38O	294.292265	NA	MeJP	NA	NA
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR500	13-HPODE F2	NA	294.320925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR500	13-HPODE F2	NA	294.320925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR500	13-HPODE F2	NA	294.320925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR500	13-HPODE F2	NA	294.320925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR500	13-HPODE F2	F2	294.320925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+2720	erythromycin inhibitor	MIITI	294.6697	MH2+	Inhouse_peptide	NA	peptide
+MJ025567	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-Et 	C7H7Br2NO2	294.884353	NA	MeJP	NA	NA
+MJ025568	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-Me, Me ester 	C7H7Br2NO2	294.884353	NA	MeJP	NA	NA
+C07461	Chlorothiazide	C7H6ClN3O4S2	294.9488	NA	KEGG	NA	NA
+C07462	Transferred to D00520	C7H6ClN3O4S2	294.9488	NA	KEGG	NA	NA
+MJ025569	Chlorothiazide 	C7H6ClN3O4S2	294.948824	NA	MeJP	NA	NA
+MJ025570	Diclofenac 	C14H11Cl2NO2	295.016684	NA	MeJP	NA	NA
+MJ025571	Meclofenamic acid 	C14H11Cl2NO2	295.016684	NA	MeJP	NA	NA
+C01690	Diclofenac	C14H11Cl2NO2	295.0167	NA	KEGG	NA	NA
+C07117	Meclofenamate	C14H11Cl2NO2	295.0167	NA	KEGG	NA	NA
+MJ025572	Tambjamine A; 5'-Bromo, 1''-N-Et 	C12H14BrN3O	295.032024	NA	MeJP	NA	NA
+MJ025573	Isoschumanniophytine 	C16H9NO5	295.048072	NA	MeJP	NA	NA
+MJ025574	Schumanniophytine 	C16H9NO5	295.048072	NA	MeJP	NA	NA
+C03373	Aminoimidazole ribotide	C8H14N3O7P	295.0569	NA	KEGG	NA	NA
+MJ025575	Aminoimidazole ribotide 	C8H14N3O7P	295.056936	NA	MeJP	NA	NA
+MetaCyc02631	5-aminoimidazole ribonucleotide [5-amino-1-(5-phospho-D-ribosyl)imidazole;5-aminoimidazole ribotide;AIR;1-(5'-phosphoribosyl)-5-aminoimidazole;5'-phosphoribosyl-5-aminoimidazole;phosphoribosylaminoimidazole;]	C8H14N3O7P1	295.056936	25635-88-5	metacyc	NA	NA
+HMDB01235	5-Aminoimidazole ribonucleotide	C8H14N3O7P	295.056946	NA	HMDB2010	NA	NA
+HMDB01235	5-Aminoimidazole ribonucleotide	C8H14N3O7P	295.05695	http://www.hmdb.ca/metabolites/HMDB01235	HMDB	NA	NA
+HMDB01235	5-Aminoimidazole ribonucleotide	C8H14N3O7P	295.05695	HMDB01235	PFEM_hmdb_metabocards_official	NA	NA
+MJ025576	1-Methyl-3-oxo-4-phenyl-1-azoniabicyclo[2.2.2]octane; Bromide 	C14H18BrNO	295.057176	NA	MeJP	NA	NA
+MJ025577	Sulfamethoxazole; N'-Ac 	C12H13N3O4S	295.062676	NA	MeJP	NA	NA
+C13061	Acetylsulfamethoxazole	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13062	Transferred to D01602	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13063	Transferred to D01603	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13064	Transferred to D01604	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13065	Transferred to D01605	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13066	Transferred to D01606	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13067	Transferred to D01607	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13068	Transferred to D01608	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13069	Transferred to D01609	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13070	Transferred to D01610	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+C13071	Transferred to D01611	C12H13N3O4S	295.0627	NA	KEGG	NA	NA
+PJ000200	ACC 	C9H17N3O4S2	295.0661	NA	PeJP	NA	NA
+MJ025578	Mycosporin-Gly, N-De(carboxymethyl), N-(2-sulfoethyl) 	C10H17NO7S	295.072572	NA	MeJP	NA	NA
+MJ025579	2,2,6,6-Tetramethyl-1-azabicyclo[2.2.2]octane; Hydroiodide 	C11H22IN	295.079693	NA	MeJP	NA	NA
+MJ025580	Glyconiazide 	C12H13N3O6	295.080435	NA	MeJP	NA	NA
+PJ000201	SSC 	C9H17N3O6S	295.0838	NA	PeJP	NA	NA
+MJ025581	Pantocin B 	C9H17N3O6S	295.083805	NA	MeJP	NA	NA
+MJ025582	1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025583	1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,3-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025584	1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 2,3-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025585	1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,7-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025586	1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 2,7-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025587	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025588	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,9-Di-Me ether 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025589	1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether, N-methoxy 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025590	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; Amide 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025591	Graveoline; 5'-Hydroxy 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025592	Ungeremine; 8-Methoxy 	C17H13NO4	295.084457	NA	MeJP	NA	NA
+MJ025593	Chloropyrilene 	C14H18ClN3S	295.090995	NA	MeJP	NA	NA
+MJ025594	Azidamfenicol 	C11H13N5O5	295.091668	NA	MeJP	NA	NA
+MJ025595	Nepicastat 	C14H15F2N3S	295.095474	NA	MeJP	NA	NA
+MJ025596	Mebendazole 	C16H13N3O3	295.095691	NA	MeJP	NA	NA
+MJ025597	Nimetazepam 	C16H13N3O3	295.095691	NA	MeJP	NA	NA
+MJ025598	Enilosperone 	C15H18ClNO3	295.097521	NA	MeJP	NA	NA
+C16612	Citalopram aldehyde	C18H14FNO2	295.1009	NA	KEGG	NA	NA
+3515	ACE inhibitor	GGY	295.105	ACE inhibitor	Inhouse_peptide	NA	peptide
+3741	Immunomodulating peptide	YGG	295.105	ACE inhibitor	Inhouse_peptide	NA	peptide
+7647	ACE inhibitor	YGG	295.105	antioxidative	Inhouse_peptide	NA	peptide
+MJ025599	1H-Indol-3-ol; OH-form, O-?-D-Glucopyranoside 	C14H17NO6	295.105587	NA	MeJP	NA	NA
+MJ025600	2-Hydroxy-2-phenylacetonitrile, O-?-D-Glucopyranoside 	C14H17NO6	295.105587	NA	MeJP	NA	NA
+MetaCyc02632	indican [2-(hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5- triol;]	C14H17N1O6	295.105587	NA	metacyc	NA	NA
+MetaCyc02633	(R)-Prunasin []	C14H17N1O6	295.105587	NA	metacyc	NA	NA
+C00844	(R)-Prunasin	C14H17NO6	295.1056	NA	KEGG	NA	NA
+C04273	(S)-Mandelonitrile beta-D-glucoside	C14H17NO6	295.1056	NA	KEGG	NA	NA
+C08481	Indican	C14H17NO6	295.1056	NA	KEGG	NA	NA
+7682	ACE inhibitor from garlic	NY	295.1059	antioxidative	Inhouse_peptide	NA	peptide
+C11127	Triadimenol	C14H18ClN3O2	295.1088	NA	KEGG	NA	NA
+MJ025601	1-(2-Quinolinyl)-?-carboline 	C20H13N3	295.110947	NA	MeJP	NA	NA
+MJ025602	1-(5-Quinolinyl)-?-carboline 	C20H13N3	295.110947	NA	MeJP	NA	NA
+MJ025603	1-(6-Quinolinyl)-?-carboline 	C20H13N3	295.110947	NA	MeJP	NA	NA
+MJ025604	1-(8-Quinolinyl)-?-carboline 	C20H13N3	295.110947	NA	MeJP	NA	NA
+PJ000202	NY 	C13H17N3O5	295.1168	NA	PeJP	NA	NA
+MJ025605	Seproxetine 	C16H16F3NO	295.118398	NA	MeJP	NA	NA
+C09588	Mecambrine	C18H17NO3	295.1208	NA	KEGG	NA	NA
+C09589	(+)-Mecambroline	C18H17NO3	295.1208	NA	KEGG	NA	NA
+C09613	Pukateine	C18H17NO3	295.1208	NA	KEGG	NA	NA
+C09670	Xylopine	C18H17NO3	295.1208	NA	KEGG	NA	NA
+C10699	Japonine	C18H17NO3	295.1208	NA	KEGG	NA	NA
+MJ025606	3,4-Methylenedioxycinnamic acid 2-phenylethylamide 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025607	3,6-Dimethoxy-1-methyl-2-phenyl-4(1H)-quinolinone 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025608	3-Acetyl-5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indole 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025609	5-Hydroxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid; Et ester 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025610	Anolobine, Me ether 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025611	Anolobine, N-Me 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025612	Crykonisine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025613	Heptaphylline; 7-Hydroxy 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025614	Heptaphylline; 8-Hydroxy 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025615	Heptaphylline; ?3'-Isomer, 2'?-hydroxy 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025616	Heptazolicine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025617	Indobufen 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025618	Laureline, N-De-Me 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025619	Mecambrine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025620	Mecambroline 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025621	Norushinsunine, N-Me 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025622	Obovanine; Me ether 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025623	Oliveroline 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025624	Pachypodanthine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025625	Pentouregine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025626	Pukateine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025627	Roemerine, N-Oxide 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025628	Stephalagine; N-De-Me 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025629	Steporphine 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025630	Zanthomamide; N-De-Me 	C18H17NO3	295.120843	NA	MeJP	NA	NA
+MJ025631	Vasconine; 2-Methoxy 	C18H18NO3(+)	295.120843	NA	MeJP	NA	NA
+MJ025632	Meburamide 	C15H21NO3S	295.124214	NA	MeJP	NA	NA
+MJ025633	3,4-Dihydroxy-2-(hydroxymethyl)pyrrolidine, 4-O-?-D-Glucopyranoside 	C11H21NO8	295.126716	NA	MeJP	NA	NA
+3328	NA	DTEAR	295.12695	MH2+	Inhouse_peptide	NA	peptide
+MJ025634	N,N-Dimethyladenosine 	C12H17N5O4	295.128054	NA	MeJP	NA	NA
+MJ025635	Nifurpipone 	C12H17N5O4	295.128054	NA	MeJP	NA	NA
+C03416	N6,N6-Dimethyladenosine	C12H17N5O4	295.1281	NA	KEGG	NA	NA
+MJ025636	Divaplon 	C17H17N3O2	295.132076	NA	MeJP	NA	NA
+MJ025637	Isonaamine A 	C17H17N3O2	295.132076	NA	MeJP	NA	NA
+C15094	GYKI 52895	C17H17N3O2	295.1321	NA	KEGG	NA	NA
+C07319	Sumatriptan	C14H21N3O2S	295.1354	NA	KEGG	NA	NA
+HMDB05037	Sumatriptan	C14H21N3O2S	295.135437	NA	HMDB2010	NA	NA
+HMDB05037	Sumatriptan	C14H21N3O2S	295.13544	http://www.hmdb.ca/metabolites/HMDB05037	HMDB	NA	NA
+HMDB05037	Sumatriptan	C14H21N3O2S	295.13544	HMDB05037	PFEM_hmdb_metabocards_official	NA	NA
+MJ025638	Sumatriptan 	C14H21N3O2S	295.135447	NA	MeJP	NA	NA
+MJ025639	1,2,3,5,6,10b-Hexahydro-6-[4-(methylthio)phenyl]pyrrolo[2,1-a]isoquinoline 	C19H21NS	295.13947	NA	MeJP	NA	NA
+MJ025640	Dosulepin 	C19H21NS	295.13947	NA	MeJP	NA	NA
+MJ025641	Pizotifen 	C19H21NS	295.13947	NA	MeJP	NA	NA
+MJ025642	Coronafacic acid, L-Serine amide 	C15H21NO5	295.141972	NA	MeJP	NA	NA
+MJ025643	Crobarbatine 	C15H21NO5	295.141972	NA	MeJP	NA	NA
+MJ025644	Loroquine; O-(2,3-Dihydroxy-2-isopropylbutanoyl) 	C15H21NO5	295.141972	NA	MeJP	NA	NA
+MJ025645	Norsenecicaudatin 9-O-senecioate 	C15H21NO5	295.141972	NA	MeJP	NA	NA
+MJ025646	Carvotroline 	C18H18FN3	295.148475	NA	MeJP	NA	NA
+2713	erythromycin inhibitor	MIIQS	295.1492	MH2+	Inhouse_peptide	NA	peptide
+MJ025647	3,4-Dihydro-2-[[[2-(4-hydroxyphenyl)ethyl]amino]methyl]-1(2H)-naphthalenone 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025648	Apomorphine, N-De-Me, N-propyl 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025649	Argentinine 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025650	Atherosperminine; N-De-Me 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025651	Beloxepin 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025652	Carbazoquinocin; Antibiotic WS 63967C 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025653	Carbazoquinocin; Carbazoquinocin A 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025654	Dimeprozan 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025655	Estrone; O-Cyano 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025656	Galipinine 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025657	Herclavine 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025658	Isomurrayafoline B 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025659	Murrayafoline B 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025660	Nuciferine 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+MJ025661	Oxitriptyline 	C19H21NO2	295.157228	NA	MeJP	NA	NA
+8265	f(141-146) of bovine kappa casein	STVATL	295.1575	MH2+	Inhouse_peptide	NA	peptide
+MJ025662	Tertatolol 	C16H25NO2S	295.160599	NA	MeJP	NA	NA
+MJ025663	8-[3-(Dimethylamino)propoxy]-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 	C13H21N5O3	295.164439	NA	MeJP	NA	NA
+MJ025664	Decahydro-6-[(1H-tetrazol-5-ylmethoxy)methyl]-3-isoquinolinecarboxylic acid 	C13H21N5O3	295.164439	NA	MeJP	NA	NA
+MJ025665	Dibenzepin 	C18H21N3O	295.168462	NA	MeJP	NA	NA
+MJ025666	Etofuradine 	C18H21N3O	295.168462	NA	MeJP	NA	NA
+MJ025667	Oxadimedine 	C18H21N3O	295.168462	NA	MeJP	NA	NA
+MJ025668	Silaprodipine 	C19H25NSi	295.175626	NA	MeJP	NA	NA
+MJ025669	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl, 6-O-propanoyl 	C16H25NO4	295.178358	NA	MeJP	NA	NA
+MJ025670	Dioxadilol 	C16H25NO4	295.178358	NA	MeJP	NA	NA
+MJ025671	Esmolol 	C16H25NO4	295.178358	NA	MeJP	NA	NA
+MJ025672	Floredil 	C16H25NO4	295.178358	NA	MeJP	NA	NA
+MJ025673	Serratine; 8?-Hydroxy 	C16H25NO4	295.178358	NA	MeJP	NA	NA
+MJ025674	Serratinine, N-Oxide 	C16H25NO4	295.178358	NA	MeJP	NA	NA
+C06980	Esmolol	C16H25NO4	295.1784	NA	KEGG	NA	NA
+C06981	Transferred to D00311	C16H25NO4	295.1784	NA	KEGG	NA	NA
+C06982	Transferred to D00312	C16H25NO4	295.1784	NA	KEGG	NA	NA
+C06983	Transferred to D00313	C16H25NO4	295.1784	NA	KEGG	NA	NA
+C09899	Serratanidine	C16H25NO4	295.1784	NA	KEGG	NA	NA
+MJ025675	?-(2-Hydroxy-4-oxodecanoyl)histidine 	C15H25N3O3	295.189591	NA	MeJP	NA	NA
+MJ025676	1,1-Diphenyl-3-(1-piperidinyl)-1-propanol 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025677	1-Heptyl-3-hydroxy-2-methyl-9H-carbazole 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025678	19,23-Dinorcona-1,3,5(10),14-tetraenin-3-ol 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025679	2,6,8,12-Hexadecatetraen-10-ynoic acid, 2,3-Didehydropyrrolidide 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025680	2,6,8-Hexadecatrien-10-ynoic acid, Pyrrolide 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025681	2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025682	2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone, N-Me 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025683	6-Dimethylamino-4,4-diphenyl-3-hexanone 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025684	Difemetorex 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025685	Glemanserin 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025686	Perastine 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025687	Spirasine XI; 13-Deoxy, 11-oxo 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025688	Spirasine XI; 13-Ketone 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025689	Talopram 	C20H25NO	295.193614	NA	MeJP	NA	NA
+MJ025690	Zafuleptine 	C17H26FNO2	295.194757	NA	MeJP	NA	NA
+MJ025691	8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carbonitrile 	C19H25N3	295.204847	NA	MeJP	NA	NA
+MJ025692	8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-2-carbonitrile 	C19H25N3	295.204847	NA	MeJP	NA	NA
+MJ025693	Picoperine 	C19H25N3	295.204847	NA	MeJP	NA	NA
+MJ025694	1-Amino-4,12-tridecadien-2-ol, N,O-Di-Ac 	C17H29NO3	295.214743	NA	MeJP	NA	NA
+MJ025695	Mubironine C 	C17H29NO3	295.214743	NA	MeJP	NA	NA
+MJ025696	Diisopromine 	C21H29N	295.229999	NA	MeJP	NA	NA
+MJ025697	2,4-Tetradecadienoic acid, 2-Hydroxy-2-methylpropylamide 	C18H33NO2	295.251129	NA	MeJP	NA	NA
+MJ025698	Loesenerine; N-De-Ac 	C17H33N3O	295.262362	NA	MeJP	NA	NA
+2939	myelopeptide	VVYPD	295.63895	MH2+	Inhouse_peptide	NA	peptide
+3087	gluten C exorphin	YPISL	295.6575	MH2+	Inhouse_peptide	NA	peptide
+3788	NA	YPLSL	295.6575	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc02634	Fe3S4 iron-sulfur cluster [Fe3S4 iron-sulfur cluster;Fe3S4 cluster;Fe3S4 center;Fe3S4;Fe3S4 iron-sulfur center;3Fe-4S;]	S4FE3	295.693109	NA	metacyc	NA	NA
+MJ025699	3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol 	C7H6Br2O3	295.868369	NA	MeJP	NA	NA
+C17098	Lanosol	C7H6Br2O3	295.8684	NA	KEGG	NA	NA
+MJ025700	[2-Amino-4-(aminosulfonyl)phenyl]arsonic acid 	C6H9AsN2O5S	295.944813	NA	MeJP	NA	NA
+MJ025701	2-(2,4-Dichlorophenoxy)benzeneacetic acid 	C14H10Cl2O3	296.000699	NA	MeJP	NA	NA
+MJ025702	Nitrodan 	C10H8N4O3S2	296.003781	NA	MeJP	NA	NA
+MJ025703	6-Sulfoaminopenicillanic acid 	C8H12N2O6S2	296.013677	NA	MeJP	NA	NA
+MJ025704	5,6-Dichloro-2-(chloromethylene)-6-methyl-3,7-octadien-1-ol, Ac 	C12H15Cl3O2	296.013762	NA	MeJP	NA	NA
+FLIE1CNS0001	Medicagol;3-Hydroxy-8,9-methylenedioxycoumestan;7-Hydroxy-11,12-methylenedioxycoumestan	C16H8O6	296.03208	1983-72-8	knapsack	NA	NA
+MJ025705	Medicagol 	C16H8O6	296.032087	NA	MeJP	NA	NA
+MJ025706	Ralitoline 	C13H13ClN2O2S	296.038626	NA	MeJP	NA	NA
+MJ025707	Enilconazole 	C14H14Cl2N2O	296.048318	NA	MeJP	NA	NA
+MJ025708	Djenkolic acid, N-Ac 	C9H16N2O5S2	296.050063	NA	MeJP	NA	NA
+C01692	Disulfiram	C10H20N2S4	296.0509	NA	KEGG	NA	NA
+MJ025709	Disulfiram 	C10H20N2S4	296.050931	NA	MeJP	NA	NA
+MetaCyc02635	disulfiram [tetraethylthiuram disulfide;ethyldithiurame;teturam;dicupral;anticol;alcophobin;antabuse;bis-(diethylthiocarbamoyl)disulfide;esperal;disulfiram;]	C10H20N2S4	296.050931	97-77-8	metacyc	NA	NA
+C10483	Phaseolic acid	C13H12O8	296.0532	NA	KEGG	NA	NA
+MJ025710	Hydroxypropanedioic acid; 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C13H12O8	296.053217	NA	MeJP	NA	NA
+MJ025711	Malic acid, O-(3,4-Dihydroxycinnamoyl) 	C13H12O8	296.053217	NA	MeJP	NA	NA
+MJ025712	Tartaric acid, Mono(4-hydroxy-E-cinnamoyl) 	C13H12O8	296.053217	NA	MeJP	NA	NA
+MJ025713	2'-Deoxy-5-(trifluoromethyl)uridine 	C10H11F3N2O5	296.062006	NA	MeJP	NA	NA
+MJ025714	Ulbactin A 	C13H16N2O2S2	296.065319	NA	MeJP	NA	NA
+FL3F1CNS0005	7-Methoxy-3',4'-methylenedioxyflavone;Milleyanaflavone;2-(1,3-Benzodioxol-5-yl)-7-methoxy-4H-1-benzopyran-4-one	C17H12O5	296.06847	58996-65-9	knapsack	NA	NA
+FL3F98NS0013	2',5'-Dihydroxyflavone 5'-acetate	C17H12O5	296.06847	115219-85-7	knapsack	NA	NA
+FL3FA9NM0007	Unonal;5,7-Dihydroxy-8-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-carboxaldehyde	C17H12O5	296.06847	59677-74-6	knapsack	NA	NA
+FL3FA9NM0008	8-Formyl-5,7-dihydroxy-6-methylflavone;Isounonal;5,7-Dihydroxy-6-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxaldehyde	C17H12O5	296.06847	55743-12-9	knapsack	NA	NA
+FL3FE9NS0007	5-Methoxy-6,7-methylenedioxyflavone	C17H12O5	296.06847	119120-32-0	knapsack	NA	NA
+FL3FF9NS0006	5-Methoxy-7,8-methylenedioxyflavone	C17H12O5	296.06847	70185-56-7	knapsack	NA	NA
+FLIA1CNS0006	Pseudobaptigenin methyl ether;7-Methoxy-3',4'-methylenedioxyisoflavone	C17H12O5	296.06847	07/04/4253	knapsack	NA	NA
+FLIA3ANS0003	Maximaisoflavone H;4'-Methoxy-7,8-methylenedioxyisoflavone	C17H12O5	296.06847	97165-42-9	knapsack	NA	NA
+FLIDWXNS0003	Anhydropisatin;Flemichapparin B;6a,11a-Dehydropterocarpin	C17H12O5	296.06847	3187-53-9	knapsack	NA	NA
+FLIE1ANS0003	Coumestrol dimethyl ether;Di-O-methylcoumestrol;3,9-Dimethylcoumestan;3,9-Dimethoxy-6-oxopterocarpene	C17H12O5	296.06847	3172-99-4	knapsack	NA	NA
+MJ025715	1-Hydroxy-7-methylanthraquinone-2-carboxylic acid; Me ester 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025716	2',5'-Dihydroxyflavone; 5'-Ac 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025717	2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; 2,6-Di-Me ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025718	3',4',7-Trihydroxyflavone; 7-Me, 3',4'-methylene ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025719	3,8,9-Trihydroxypterocarpene; 3-Me, 8,9-methylene ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025720	3-Acetyl-1,8-dihydroxy-2-methylphenanthraquinone 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025721	4',7,8-Trihydroxyisoflavone; 7,8-Methylene , 4'-Me ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025722	5,6,7-Trihydroxyflavone; 6,7-Methylene, 5-Me ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025723	5,7,8-Trihydroxyflavone; 5-Me, 7,8-methylene ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025724	5-Hydroxy-3-methylanthraquinone-1-carboxylic acid; Me ester 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025725	7-Hydroxy-3',4'-methylenedioxyisoflavone; Me ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025726	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025727	Aristololide; 9,10?-Dihydro 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025728	Aspulvinone E 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025729	Coumestrol; Di-Me ether 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025730	Gyrocyanin 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025731	Isounonal 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025732	Ligustrone A; 8,9-Dihydro, O-de-Me 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MJ025733	Unonal 	C17H12O5	296.068473	NA	MeJP	NA	NA
+MetaCyc02636	aspulvinone-e []	C17H12O5	296.068473	49637-60-7	metacyc	NA	NA
+C02006	Aspulvinone E	C17H12O5	296.0685	NA	KEGG	NA	NA
+MJ025734	Flunixin 	C14H11F3N2O2	296.077262	NA	MeJP	NA	NA
+MJ025735	10-Bromo-1,3,7(14)-chamigratrien-9-ol 	C15H21BrO	296.077577	NA	MeJP	NA	NA
+MJ025736	2-(3-Bromo-1,2,2-trimethylcyclopentyl)-5-methylphenol 	C15H21BrO	296.077577	NA	MeJP	NA	NA
+MJ025737	4-Bromo-2,5,6-trimethyl-11-methylenetricyclo[6.2.1.01,6]undecan-3-one 	C15H21BrO	296.077577	NA	MeJP	NA	NA
+MJ025738	Majapolene B 	C15H21BrO	296.077577	NA	MeJP	NA	NA
+MJ025739	3H-Indolo[3,2,1-de][1,5]naphthyridine-2,6-dione; N3-Me, 4-methoxy, 5-hydroxy 	C16H12N2O4	296.079706	NA	MeJP	NA	NA
+MJ025740	Bruceolline C 	C16H12N2O4	296.079706	NA	MeJP	NA	NA
+MJ025741	Texaline; 5''-Methoxy 	C16H12N2O4	296.079706	NA	MeJP	NA	NA
+MJ025742	Chloticol 	C15H17ClO4	296.081536	NA	MeJP	NA	NA
+MJ025743	Peucedanol, 3'-Deoxy, 3'-chloro, 7-Me ether 	C15H17ClO4	296.081536	NA	MeJP	NA	NA
+MJ025744	Antibiotic NS 5; 1',2'-Didehydro, N-Ac 	C13H16N2O4S	296.083077	NA	MeJP	NA	NA
+MJ025745	Taltrimide 	C13H16N2O4S	296.083077	NA	MeJP	NA	NA
+C17010	de-Hypoxanthine futalosine	C14H16O7	296.0896	NA	KEGG	NA	NA
+MJ025746	Sawaranin 	C14H16O7	296.089602	NA	MeJP	NA	NA
+MJ025747	Sawaranospirolide A 	C14H16O7	296.089602	NA	MeJP	NA	NA
+2749	ion flow regulating peptide	DY	296.0899	antibacterial	Inhouse_peptide	NA	peptide
+C12331	2,3,9,10-Tetrahydroxyberberine	C17H14NO4	296.0923	NA	KEGG	NA	NA
+MetaCyc02637	5'-methylthiotubercidin [7-(5-S-methyl-5-thio-&beta;-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine;]	C12H16N4O3S1	296.094311	NA	metacyc	NA	NA
+MJ025748	Bentazepam 	C17H16N2OS	296.098333	NA	MeJP	NA	NA
+C03995	4-Nitrophenyl-3-ketovalidamine	C13H16N2O6	296.1008	NA	KEGG	NA	NA
+PJ000203	DY 	C13H16N2O6	296.1008	NA	PeJP	NA	NA
+MJ025749	2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N,O3-Di-Ac 	C13H16N2O6	296.100836	NA	MeJP	NA	NA
+MJ025750	Pukeleimide, 9,10-Dihydro, 10-hydroxy 	C13H16N2O6	296.100836	NA	MeJP	NA	NA
+MetaCyc02638	4-nitrophenyl-3-ketovalidamine [p-nitrophenyl-3-ketovalidamine;N-(4-nitrophenyl)-3-ketovalidamine;]	C13H16N2O6	296.100836	NA	metacyc	NA	NA
+HMDB11685	DHAP(8:0)	C11H21O7P	296.102478	NA	HMDB2010	NA	NA
+FL3FA9NM0004	5,7-Dimethoxy-6-C-methylflavone	C18H16O4	296.10485	109251-29-8	knapsack	NA	NA
+FL3FA9NM0005	5-Hydroxy-7-methoxy-6,8-di-C-methylflavone;5-Hydroxy-7-methoxy-6,8-dimethylflavone;Desmosflavone;5-Hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one	C18H16O4	296.10485	14004-56-9	knapsack	NA	NA
+FL3FQUNM0001	Dasytrichone	C18H16O4	296.10485	151655-69-5	knapsack	NA	NA
+MJ025751	1,5-Bis(3,4-dihydroxyphenyl)-1,4-pentadien-3-one, 3'-Deoxy, 3''-Me ether 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025752	1,5-Dihydroxy-6-prenylxanthone 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025753	2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025754	2,7-Dihydroxy-1,6-dimethyl-9,10-anthraquinone; Di-Me ether 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025755	2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxy-1-propenyl)benzofuran 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025756	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy, 7-methoxy 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025757	3,4-Dihydroxy-1-phenanthreneacetic acid; Di-Me ether 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025758	3,8-Dimethoxy-5H-benzo[3,4]cyclohepta[1,2-f][1,3]benzodioxole 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025759	3-(4-Hydroxyphenyl)-2-propenoic acid, O-(3-Phenylpropanoyl) 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025760	4,8-Dihydroxy-1-prenylxanthone 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025761	5,7-Dihydroxy-6,8-dimethylflavone; 7-Me ether 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025762	5,7-Dihydroxy-6-methylflavone; Di-Me ether 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025763	6-Hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; 4'-Me ether 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025764	Bermoprofen 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025765	Butantrone 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025766	Caloxanthone F; 7-Deoxy 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025767	Combretastatin D2 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025768	Cordatooblonguxanthone 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025769	Danshenxinkun B; 16-Hydroxy 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025770	Dasytrichone 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025771	Desmosdumotin B 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025772	Egonol; Demethoxy 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025773	Obovatal 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025774	Peniophorin A 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025775	Tanshindiol A; 18-Deoxy 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025776	Tanshinol B 	C18H16O4	296.104859	NA	MeJP	NA	NA
+MJ025777	Tanshinone VI 	C18H16O4	296.104859	NA	MeJP	NA	NA
+C10035	Dasytrichone	C18H16O4	296.1049	NA	KEGG	NA	NA
+C10054	Calophyllin B	C18H16O4	296.1049	NA	KEGG	NA	NA
+C14720	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin	C18H16O4	296.1049	NA	KEGG	NA	NA
+3385	ACE inhibitor	MF	296.1084	celiac toxic	Inhouse_peptide	NA	peptide
+MJ025778	1-O-Glucopyranosylglycerol; 3-Ac 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025779	2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025780	2-O-?-D-Xylopyranosyl-L-arabinose; ?-L-Pyranose-form, Me glycoside 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025781	2-O-?-D-Xylopyranosyl-L-arabinose; ?-L-Pyranose-form, Me glycoside 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025782	2-O-?-L-Rhamnopyranosyl-L-arabinose 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025783	3,4-Dihydroxybutanoic acid, 3-O-?-D-Glucopyranoside, Me ester 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025784	3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025785	3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, Me glycoside 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025786	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025787	4-O-?-L-Rhamnopyranosyl-D-xylose 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025788	Lilioside B; Mono-Ac 	C11H20O9	296.110732	NA	MeJP	NA	NA
+MJ025789	Theophylline; N7-(2-Deoxy-?-D-erythro-pentofuranosyl) 	C12H16N4O5	296.112069	NA	MeJP	NA	NA
+MJ025790	6-Ethyl-6,7,8,9-tetrahydro-4-(trifluoromethyl)pyrido[3,2-g]quinolin-2(1H)-one 	C15H15F3N2O	296.113647	NA	MeJP	NA	NA
+MJ025791	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; Me ether, Me ester 	C17H16N2O3	296.116092	NA	MeJP	NA	NA
+MJ025792	Emakalim 	C17H16N2O3	296.116092	NA	MeJP	NA	NA
+MJ025793	Glycyclamide 	C14H20N2O3S	296.119463	NA	MeJP	NA	NA
+PJ000204	MF 	C14H20N2O3S	296.1195	NA	PeJP	NA	NA
+C03218	2-Methylaminoadenosine	C11H16N6O4	296.1233	NA	KEGG	NA	NA
+MJ025794	8-Azaadenosine; N,N-Di-Me 	C11H16N6O4	296.123303	NA	MeJP	NA	NA
+MJ025795	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025796	1,2-Epoxy-3,4,10-trihydroxy-11(13)-guaien-12,6-olide 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025797	1,3,11-Trihydroxy-12-oxo-7-drimen-15,11-olide 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025798	2,10-Epoxy-3-deoxypseudoanisatin 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025799	3,4-Epoxy-1,2,10-trihydroxy-11(13)-guaien-12,6-olide 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025800	3,7,15-Trihydroxy-8-scirpenone 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025801	3,8-Dihydroxy-6-lactaren-5,14-olid-12-oic acid 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025802	3-Phenyl-2-propen-1-ol, O-?-D-Glucopyranoside 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025803	4,5-Epoxy-8,14,15-trihydroxy-1(10),11(13)-germacradien-12,6-olide 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025804	4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone; 6-O-(2S,3-Dihydroxy-3-methylbutyl), 4-Me ether 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025805	4-(2-Propenyl)phenol; O-?-Glucopyranoside 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025806	5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Carboxylic acid 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025807	6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,4,5,7-tetrol, 5,7-Di-Me ether 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025808	Amotin 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025809	Anislactone A 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025810	Coriamyrtin; 8,9-Dihydro, 8-hydroxy 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025811	Fusarentin; 6-Me ether 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025812	Gonioheptolide A; Et ester analogue 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025813	Phomopsolide A; 6,7-Dihydro 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025814	Phomopsolide B 	C15H20O6	296.125988	NA	MeJP	NA	NA
+MJ025815	Picrodendrin C; 6-Deoxy 	C15H20O6	296.125988	NA	MeJP	NA	NA
+C09747	Vomitoxin	C15H20O6	296.126	NA	KEGG	NA	NA
+C14537	Trimethylolpropane triacrylate	C15H20O6	296.126	NA	KEGG	NA	NA
+MJ025816	Renytoline 	C21H16N2	296.131348	NA	MeJP	NA	NA
+MJ025817	Fluproquazone 	C18H17FN2O	296.132491	NA	MeJP	NA	NA
+C16609	Didemethylcitalopram	C18H17FN2O	296.1325	NA	KEGG	NA	NA
+C07175	Methdilazine	C18H20N2S	296.1347	NA	KEGG	NA	NA
+C07176	Transferred to D00393	C18H20N2S	296.1347	NA	KEGG	NA	NA
+MJ025818	10-[2-(1-Pyrrolidinyl)ethyl]-10H-phenothiazine 	C18H20N2S	296.134719	NA	MeJP	NA	NA
+MJ025819	Methdilazine 	C18H20N2S	296.134719	NA	MeJP	NA	NA
+MJ025820	1,13-Diisothiocyanato-1,12-tridecadiene, 1,2-Dihydro 	C15H24N2S2	296.13809	NA	MeJP	NA	NA
+MJ025821	Amicarbalide 	C15H16N6O	296.138559	NA	MeJP	NA	NA
+C10285	4-Prenylresveratrol	C19H20O3	296.1412	NA	KEGG	NA	NA
+MJ025822	1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025823	1,7-Diphenyl-3,5-heptanediol, 1,2-Didehydro, 4'-hydroxy, 5-ketone (E-) 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025824	14,16-Epoxy-20-nor-5(10),6,8,13-abietatetraene-11,12-dione 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025825	2,2'-Dihydroxy-3-methoxy-5,5'-di-2-propenylbiphenyl 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025826	2,2-Dimethyl-5-(2-phenylethyl)-2H-1-benzopyran-7,8-diol 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025827	2,3-Dihydro-2-(1-methylethenyl)-4-(2-phenylethyl)-6-benzofuranol, 7-Hydroxy 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025828	2,3-Dihydroxy-4',5-di-2-propenyldiphenyl ether; 3-Me ether 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025829	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-5-(1-propenyl)benzofuran, 3'-Me ether 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025830	3-(1,1-Dimethylallyl)xanthyletin 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025831	3-Prenylxanthyletin 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025832	4,4',5-Trihydroxy-2,7'-cyclolignan, 4,5-Methylene ether 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025833	5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025834	7-Allyl-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methylbenzofuran, 5-Me ether 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025835	8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025836	Acerogenin B, Ketone 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025837	Alnusdiol; 11-Deoxy, 9-ketone 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025838	Arachidin I, 3'-Deoxy 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025839	Arachidin II 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025840	Centrolobin, 4,5-Didehydro, O-de-Me 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025841	Chalepin, Deoxy, 1',2'-didehydro 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025842	Chiricanin B 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025843	Conocarpan, 5-Methoxy 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025844	Cryptofolione; 6'-Deoxy, 5',6'-didehydro 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025845	Isocryptotanshinone 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025846	Larreatridenticin 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025847	Mundulea lactone 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025848	Perrottetin D 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025849	Radulanin A; 2'-Hydroxy 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025850	Radulanin A; 4'-Hydroxy 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025851	Termilignan 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025852	Zapotecol; 8'-Ketone 	C19H20O3	296.141244	NA	MeJP	NA	NA
+MJ025853	Caryophyllose 	C12H24O8	296.147117	NA	MeJP	NA	NA
+MJ025854	1,4-Butanediamine; N,N'-Dibenzoyl 	C18H20N2O2	296.152477	NA	MeJP	NA	NA
+MJ025855	Alamaridine; Natural-form 	C18H20N2O2	296.152477	NA	MeJP	NA	NA
+MJ025856	Deethylibophyllidine 	C18H20N2O2	296.152477	NA	MeJP	NA	NA
+MJ025857	Piperazinomycin 	C18H20N2O2	296.152477	NA	MeJP	NA	NA
+MJ025858	Vinconate 	C18H20N2O2	296.152477	NA	MeJP	NA	NA
+MJ025859	1-Heptadecene-11,13-diyne-8,9,10-triol, 8-Deoxy, 8-chloro 	C17H25ClO2	296.154307	NA	MeJP	NA	NA
+MJ025860	10-Chloro-1-heptadecene-4,6-diyne-3,9-diol 	C17H25ClO2	296.154307	NA	MeJP	NA	NA
+MJ025861	7-Chloro-3,9,12-pentadecatrien-1-yn-6-ol, 12,13-Dihydro, Ac 	C17H25ClO2	296.154307	NA	MeJP	NA	NA
+7504	ACE inhibitor	SKVYP	296.1545	MH2+	Inhouse_peptide	NA	peptide
+2671	synthetic fr, of human beta-CN (123-127) ACE inhibitor	NLHLP	296.16045	MH2+	Inhouse_peptide	NA	peptide
+MJ025862	1,2,6-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025863	1,3,6-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025864	1,4,10-Trihydroxy-2-aromadendren-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025865	1,4,10-Trihydroxy-2-guaien-12,6-olide, 1-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025866	1,6,13-Trihydroxy-4,10(14)-germacradien-12,8-olide, 13-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025867	1,6,8-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025868	13,14,15,16-Tetranor-8(17)-labdene-12,19-dioic acid; 7?-Hydroxy 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025869	2,4-Dihydroxy-6-(6-hydroxyheptyl)benzoic acid, Et ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025870	3,5,10-Trihydroxy-10-methyl-6,7-megastigmadien-9-one; 5-Ac 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025871	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025872	4,5-Epoxy-6,13-dihydroxy-1(10)-germacren-12,8-olide, 13-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025873	4,6-Dihydroxy-9-oxo-7-eudesmen-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025874	5-Hydroperoxy-6-hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025875	6,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025876	6,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025877	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025878	7,14-Epoxy-3,8-dihydroxy-5,14-lactaranolide, 3-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025879	7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025880	Benesudon 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025881	Brefeldin A; 8-Hydroxy 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025882	Dihydrophaseic acid; Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025883	Exiproben 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025884	Flakinin B 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025885	Hymenoxon; 3-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025886	Hymenoxon; 4-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025887	Illicinone E; 2?,3-Dihydro, Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025888	Illicinone E; 2?,3-Dihydro, Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025889	Ovalicin 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025890	Pseudomajucin; 8-Me ether 	C16H24O5	296.162373	NA	MeJP	NA	NA
+MJ025891	Rugosal A; 14-Carboxylic acid, Me ester 	C16H24O5	296.162373	NA	MeJP	NA	NA
+C09674	Graphinone	C16H24O5	296.1624	NA	KEGG	NA	NA
+MJ025892	Propizepine 	C17H20N4O	296.163711	NA	MeJP	NA	NA
+MJ025893	3,4,13-Trihydroxylupanine 	C15H24N2O4	296.173607	NA	MeJP	NA	NA
+MJ025894	3,8,13-Trihydroxylupanine 	C15H24N2O4	296.173607	NA	MeJP	NA	NA
+MJ025895	Batelapine 	C16H20N6	296.174944	NA	MeJP	NA	NA
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR378	Aldosterone F5	NA	296.177075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR378	Aldosterone F5	NA	296.177075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJpos0705	Ketoretinoic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+	C20H25O2	296.177075	C18rt(min)=8.85 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR378	Aldosterone F5	NA	296.177075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0705	Ketoretinoic acid Glucuronide (and isomers) [(M+H)-(C6H10O7)]+	C20H25O2	296.177075	C18rt(min)=8.85 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR378	Aldosterone F5	NA	296.177075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR378	Aldosterone F5	F5	296.177075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C07534	Ethynyl estradiol	C20H24O2	296.1776	NA	KEGG	NA	NA
+C08162	Exemestane	C20H24O2	296.1776	NA	KEGG	NA	NA
+C14391	Diethylstilbestrol dimethyl ether	C20H24O2	296.1776	NA	KEGG	NA	NA
+C15063	3-Methoxy-D-homoestra-1,3,5(10),8,14-pentaen-17abeta-ol	C20H24O2	296.1776	NA	KEGG	NA	NA
+C15124	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17a-one	C20H24O2	296.1776	NA	KEGG	NA	NA
+MJ025896	1,8,11,13-Cleistanthatetraene-3,7-dione 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025897	2,3-Dihydro-2,2-diprenylnaphthoquinone 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025898	2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 3-Me ether 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025899	2-(3-Methyl-2-butenyl)-5-[2-(4-hydroxyphenyl)ethyl]phenol; 1-Me ether 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025900	2-(3-Methyl-2-butenyl)-5-[2-(4-hydroxyphenyl)ethyl]phenol; 4'-Me ether 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025901	4(10),6,11(18),15-Rhamnofolatetraene-1,5-dione 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025902	4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 1-Me ether 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025903	4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 3-Me ether 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025904	5-Methoxy-1,7-diphenyl-3-heptanone 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025905	Aegyptinone B; 12,16-Dideoxy 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025906	Aethiopinone 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025907	Candidissiol 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025908	Crocetindialdehyde 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025909	Crotofolin C 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025910	Diclausenan 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025911	Ethinylestradiol 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025912	Exemestane 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025913	Falconensone B 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025914	Frondosin B 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025915	Inulavosin 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025916	Jatropholone B 	C20H24O2	296.17763	NA	MeJP	NA	NA
+MJ025917	Sapriparaquinone; 4,18-Didehydro, 12-deoxy 	C20H24O2	296.17763	NA	MeJP	NA	NA
+HMDB01926	17a-Ethynylestradiol	C20H24O2	296.17764	http://www.hmdb.ca/metabolites/HMDB01926	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01926	17a-Ethynylestradiol	C20H24O2	296.17764	http://www.hmdb.ca/metabolites/HMDB01926	HMDB	NA	NA
+HMDB01926	17a-Ethynylestradiol	C20H24O2	296.17764	http://www.hmdb.ca/metabolites/HMDB01926	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01926	17a-Ethynylestradiol	C20H24O2	296.17764	HMDB01926	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01926	17a-Ethynylestradiol	C20H24O2	296.177643	NA	HMDB2010	NA	NA
+MJ025918	16-Decarbomethoxy-19,20-dihydrovobasine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025919	16-Hydroxyalloibogamine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025920	20-Hydroxy-1,2-dehydro-?-aspidospermidine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025921	Adenocarpine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025922	Andrangine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025923	Antirhine; natural-form 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025924	Apodihydrocinchonamine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025925	Aspidoalbidine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025926	Aspidospermidine, 3-Oxo 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025927	Aspidospermidine, 5-Oxo 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025928	Capuronidine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025929	Cinchonamine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025930	Cinchonidine; 10,11-Dihydro 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025931	Cinchonine; 10,11-Dihydro 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025932	Corynantheol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025933	Dimevamide 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025934	Eburenine, Nb-Oxide 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025935	Eburnamine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025936	Geissoschizol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025937	Ibogamine pseudoindoxyl 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025938	Ibogamine, 19R-Hydroxy 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025939	Iboluteine; Demethoxy 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025940	Imipramine; 5-N-Oxide 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025941	Isogeissoschizol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025942	Melinonine B; N-De-Me 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025943	N-(1-Phenylheptyl)-3-pyridinecarboxamide 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025944	N-[(2-Methoxyphenyl)methyl]-2-phenyl-3-piperidinamine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025945	Palonosetron 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025946	Retuline; 16-Epimer, N-de-Ac 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025947	Retuline; N-De-Ac 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025948	Rhazinilam, 5,21-Dihydro 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025949	Silicine 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025950	Spermostrychnine; N-De Ac 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025951	Tacamonine; 16?-Alcohol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025952	Tacamonine; 16?-Alcohol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025953	Tubifolidine; 19,20-Didehydro, 12-methoxy 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025954	Vincanol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025955	Voaphylline 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025956	Yohimbol 	C19H24N2O	296.188863	NA	MeJP	NA	NA
+MJ025957	Ophiorrhizine 	C19H25N2O(+)	296.188863	NA	MeJP	NA	NA
+C09033	Antirhine	C19H24N2O	296.1889	NA	KEGG	NA	NA
+C09146	Eburnamine	C19H24N2O	296.1889	NA	KEGG	NA	NA
+C10123	Adenocarpine	C19H24N2O	296.1889	NA	KEGG	NA	NA
+C16727	Cinchonamine	C19H24N2O	296.1889	NA	KEGG	NA	NA
+MJ025958	1(10),4(15)-Germacradiene-2,5,11-triol, 1-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025959	1(10),4(15)-Germacradiene-2,5,6-triol, 2-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025960	1(10),4(15)-Germacradiene-5,6,14-triol, 14-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025961	1(10),4-Germacradiene-2,6-diol, 4?,5?-Epoxide, 2-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025962	1(10),5-Germacradiene-4,11,12-triol, 12-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025963	1,5,9-Farnesatriene-3,7,11-triol, 3-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025964	1,6,10-Farnesatriene-3,5,9-triol, 9-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025965	1,6,10-Farnesatriene-3,9,12-triol, 9-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025966	1,6,9-Farnesatriene-3,5,11-triol, 5-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025967	10,11-Epoxy-2,8-guaianediol, 2-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025968	10,11-Epoxy-2,8-guaianediol, 8-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025969	11,12-Dihydroxy-4-pseudoguaianone, 12-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025970	2,6,10-Farnesatriene-1,5,12-triol, 5-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025971	2,6,10-Farnesatriene-1,8,12-triol, 1-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025972	2,6,10-Farnesatriene-1,8,12-triol, 12-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025973	2,6,10-Farnesatriene-1,8,12-triol, 8-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025974	3,10-Dihydroxy-4-oplopanone, 3-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025975	3,4-Dihydroxypallenone; 3-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025976	4(15)-Eudesmene-1,2,6-triol, 6-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025977	4(15)-Eudesmene-1,5,6-triol, 6-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025978	4,10(14)-Germacradiene-1,2,6-triol, 6-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025979	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025980	4,9-Germacradiene-1,2,6-triol, 6-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025981	5(14),10-Cyclofarnesadiene-2,4,9-triol; 2-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025982	5,10(14)-Germacradiene-1,3,4-triol, 3-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025983	6,12,14-Trihydroxy-3(15)-caryophyllen-8-one, 6,14-Di-Me ether 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025984	7,11-Epoxy-1-bisabolene-3,10-diol; 10-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025985	7-Eudesmene-1,3,4-triol, 3-Ac 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025986	Acaranoic acid; 1',3-Didehydro 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025987	Albocycline; 2,3-Dihydro, O-de-Me 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025988	Albocycline; 5,6-Dihydro, O-de-Me 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025989	Albocycline; 7-Demethoxy, 9-hydroxy, 2,3-dihydro, ?7,8-isomer 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025990	Gingerdiols; [6]-Gingerdiol 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025991	Methymycin; Aglycone, 10-deoxy 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025992	Nephrosterinic acid 	C17H28O4	296.198759	NA	MeJP	NA	NA
+MJ025993	Rubrynolide 	C17H28O4	296.198759	NA	MeJP	NA	NA
+C11993	10-Deoxymethynolide	C17H28O4	296.1988	NA	KEGG	NA	NA
+MJ025994	5-[[(Octahydro-2H-quinolizin-1-yl)methyl]amino]-5-oxopentanoic acid, Me ester 	C16H28N2O3	296.209992	NA	MeJP	NA	NA
+MJ025995	Sophora Base 9 	C16H28N2O3	296.209992	NA	MeJP	NA	NA
+MJ025996	Termisine 	C16H28N2O3	296.209992	NA	MeJP	NA	NA
+MJ025997	19-Norpregna-1,3,5(10),20-tetraen-3-ol; Me ether 	C21H28O	296.214015	NA	MeJP	NA	NA
+MJ025998	Pregna-1,4,20-trien-3-one 	C21H28O	296.214015	NA	MeJP	NA	NA
+MJ025999	Aspidospermidine, N1-Me 	C20H28N2	296.225248	NA	MeJP	NA	NA
+MJ026000	Quebrachamine, N-Me 	C20H28N2	296.225248	NA	MeJP	NA	NA
+MJ026001	Vallesamidine 	C20H28N2	296.225248	NA	MeJP	NA	NA
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR509	9-HODE F1	NA	296.235025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR112	12(13)-EpOME	C18H32O3	296.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR113	9(10)-EpOME	C18H32O3	296.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR115	13-HODE	C18H32O3	296.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR119	9-HODE	C18H32O3	296.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR112	12(13)-EpOME	C18H32O3	296.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR113	9(10)-EpOME	C18H32O3	296.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR115	13-HODE	C18H32O3	296.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR119	9-HODE	C18H32O3	296.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR112	12(13)-EpOME	C18H32O3	296.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR113	9(10)-EpOME	C18H32O3	296.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR115	13-HODE	C18H32O3	296.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR119	9-HODE	C18H32O3	296.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR112	12(13)-EpOME	C18H32O3	296.2351	Wishlist	Inhousejuil11	NA	NA
+EUR113	9(10)-EpOME	C18H32O3	296.2351	Wishlist	Inhousejuil11	NA	NA
+EUR115	13-HODE	C18H32O3	296.2351	Wishlist	Inhousejuil11	NA	NA
+EUR119	9-HODE	C18H32O3	296.2351	Wishlist	Inhousejuil11	NA	NA
+C08318	(9Z,12Z)-(8S)-Hydroxyoctadeca-9,12-dienoic acid	C18H32O3	296.2351	NA	KEGG	NA	NA
+C08368	(9Z)-(12S,13R)-12,13-Epoxyoctadecenoic acid	C18H32O3	296.2351	NA	KEGG	NA	NA
+C14762	13(S)-HODE	C18H32O3	296.2351	NA	KEGG	NA	NA
+C14767	9(S)-HODE	C18H32O3	296.2351	NA	KEGG	NA	NA
+C14825	9(10)-EpOME	C18H32O3	296.2351	NA	KEGG	NA	NA
+C14826	12(13)-EpOME	C18H32O3	296.2351	NA	KEGG	NA	NA
+HMDB04667	13S-hydroxyoctadecadienoic acid	C18H32O3	296.235138	NA	HMDB2010	NA	NA
+HMDB04670	Alpha-dimorphecolic	C18H32O3	296.235138	NA	HMDB2010	NA	NA
+HMDB04701	9,10-Epoxyoctadecenoic acid	C18H32O3	296.235138	NA	HMDB2010	NA	NA
+HMDB04702	12,13-EpOME	C18H32O3	296.235138	NA	HMDB2010	NA	NA
+HMDB10223	9-HODE	C18H32O3	296.235138	NA	HMDB2010	NA	NA
+HMDB04667	13S-hydroxyoctadecadienoic acid	C18H32O3	296.23514	http://www.hmdb.ca/metabolites/HMDB04667	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04667	13S-hydroxyoctadecadienoic acid	C18H32O3	296.23514	http://www.hmdb.ca/metabolites/HMDB04667	HMDB	NA	NA
+HMDB04670	Alpha-dimorphecolic	C18H32O3	296.23514	http://www.hmdb.ca/metabolites/HMDB04670	HMDB	NA	NA
+HMDB04701	9,10-epoxyoctadecenoic acid	C18H32O3	296.23514	http://www.hmdb.ca/metabolites/HMDB04701	HMDB	NA	NA
+HMDB04702	12(13)-EpOME	C18H32O3	296.23514	http://www.hmdb.ca/metabolites/HMDB04702	HMDB	NA	NA
+HMDB04667	13S-hydroxyoctadecadienoic acid	C18H32O3	296.23514	http://www.hmdb.ca/metabolites/HMDB04667	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04667	13S-hydroxyoctadecadienoic acid	C18H32O3	296.23514	HMDB04667	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04670	Alpha-dimorphecolic	C18H32O3	296.23514	HMDB04670	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04701	9,10-epoxyoctadecenoic acid	C18H32O3	296.23514	HMDB04701	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04702	12(13)-EpOME	C18H32O3	296.23514	HMDB04702	PFEM_hmdb_metabocards_official	NA	NA
+MJ026002	10-Hydroxy-8,12-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026003	12,13-Dihydroxy-9-octadecenoic acid, 1,13-Lactone 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026004	12,13-Epoxy-9-octadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026005	12-Hydroxy-8,10-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026006	12-Hydroxy-9,13-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026007	12-Hydroxy-9,15-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026008	13-Hydroxy-9,11-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026009	13-Oxo-9-octadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026010	14,15-Dihydroxy-1,2-dinor-6,10-phytadien-3-one 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026011	15-Hydroxy-9,12-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026012	4,13-Dihydroxy-15,16-dinor-4,5-seco-5-rosanone 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026013	7-Hydroxy-7-vinyl-4-hexadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026014	7-Hydroxy-9-methyl-4,8-hexadecadienoic acid, Me ether 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026015	7-Oxo-11-octadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026016	8-Hydroxy-9,12-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026017	9,10-Epoxy-12-octadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026018	9-Hydroxy-10,12-octadecadienoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026019	9-Oxo-11-octadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026020	9-Oxo-13-octadecenoic acid 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026021	Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3H)-furanone 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026022	Feronolide 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026023	Tetrahydro-6-(3-hydroxy-4,7-tridecadienyl)-2H-pyran-2-one; 7',8'-Dihydro 	C18H32O3	296.235144	NA	MeJP	NA	NA
+MJ026024	[3-Ethyl-5-(2-ethyl-3-hexenyl)tetrahydro-5-methyl-2-furanylidene]acetic acid; 9,10-Dihydro, Me ester 	C18H32O3	296.235144	NA	MeJP	NA	NA
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	HMDB	NA	NA
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	HMDB	NA	NA
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	HMDB	NA	NA
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02639	18-oxooleate [18-oxooctadec-9-enoic acid;]	C18H32O3	296.235145	NA	metacyc	NA	NA
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR112	12(13)-EpOME	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR113	9(10)-EpOME	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR115	13-HODE	C18H32O3	296.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR522	12,13-EPOME F1	NA	296.236025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ026025	3-Docosene-1,8,21-triyne 	C22H32	296.250401	NA	MeJP	NA	NA
+MJ026026	Aplysillamide A 	C16H32N4O	296.257611	NA	MeJP	NA	NA
+C03425	Oleic acid methyl ester	C19H36O2	296.2715	NA	KEGG	NA	NA
+C03426	Polysulfate of charonin	C19H36O2	296.2715	NA	KEGG	NA	NA
+C13787	17-Methyl-6Z-octadecenoic acid	C19H36O2	296.2715	NA	KEGG	NA	NA
+C13838	Lactobacillic acid	C19H36O2	296.2715	NA	KEGG	NA	NA
+C13839	Transferred to D02146	C19H36O2	296.2715	NA	KEGG	NA	NA
+HMDB13622	Nonadeca-10(Z)-enoic acid	C19H36O2	296.271515	NA	HMDB2010	NA	NA
+MJ026027	10-Methyl-9-octadecenoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026028	11-Heptadecen-1-ol, Ac 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026029	11-Methyl-12-octadecenoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026030	12-Methyl-5-octadecenoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026031	13-Octadecenoic acid, Me ester 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026032	2-Hexylcyclopropanedecanoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026033	2-Octylcyclopropaneoctanoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026034	4,6-Nonadecanedione 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026035	6-Nonadecenoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026036	7-Methyl-6-octadecenoic acid 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026037	9,18-Nonadecadiene-6,7-diol 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MJ026038	9-Hexadecenoic acid, Isopropyl ester 	C19H36O2	296.27153	NA	MeJP	NA	NA
+MetaCyc02640	dihydrosterculate [dihydrosterculic acid;]	C19H36O2	296.27153	NA	metacyc	NA	NA
+MetaCyc02641	lactobacillate [lactobacillic acid;]	C19H36O2	296.27153	NA	metacyc	NA	NA
+C01389	Phytol	C20H40O	296.3079	NA	KEGG	NA	NA
+MJ026039	1-Phyten-3-ol 	C20H40O	296.307915	NA	MeJP	NA	NA
+MJ026040	11-Eicosen-1-ol 	C20H40O	296.307915	NA	MeJP	NA	NA
+MJ026041	15-Eicosen-1-ol 	C20H40O	296.307915	NA	MeJP	NA	NA
+MJ026042	2-Eicosanone 	C20H40O	296.307915	NA	MeJP	NA	NA
+MJ026043	2-Phyten-1-ol 	C20H40O	296.307915	NA	MeJP	NA	NA
+MetaCyc02642	phytol []	C20H40O1	296.307916	NA	metacyc	NA	NA
+HMDB02019	Phytol	C20H40O	296.30792	http://www.hmdb.ca/metabolites/HMDB02019	HMDB	NA	NA
+HMDB03208	Thromboxane	C20H40O	296.30792	http://www.hmdb.ca/metabolites/HMDB03208	HMDB	NA	NA
+HMDB02019	Phytol	C20H40O	296.30792	HMDB02019	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03208	Thromboxane	C20H40O	296.30792	HMDB03208	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02019	Phytol	C20H40O	296.307922	NA	HMDB2010	NA	NA
+HMDB03208	Thromboxane	C20H40O	296.307922	NA	HMDB2010	NA	NA
+MJ026044	Heneicosane 	C21H44	296.344301	NA	MeJP	NA	NA
+MJ026045	2,6,10,14-Tetramethylheptadecane 	C21H44	296.344301	NA	MeJP	NA	NA
+MJ026046	3,7-Dimethylnonadecane 	C21H44	296.344301	NA	MeJP	NA	NA
+3119	fragment of bovine beta-casein (63-68 )	PGPIPN	296.65195	MH2+	Inhouse_peptide	NA	peptide
+MJ026047	4(7)-Bromo-2,3,7(2,3,4)-trichloro-1H-indole 	C8H3BrCl3N	296.851444	NA	MeJP	NA	NA
+MJ026048	Hydrochlorothiazide 	C7H8ClN3O4S2	296.964474	NA	MeJP	NA	NA
+HMDB01928	Hydrochlorothiazide	C7H8ClN3O4S2	296.964478	NA	HMDB2010	NA	NA
+HMDB01928	Hydrochlorothiazide	C7H8ClN3O4S2	296.96448	http://www.hmdb.ca/metabolites/HMDB01928	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01928	Hydrochlorothiazide	C7H8ClN3O4S2	296.96448	http://www.hmdb.ca/metabolites/HMDB01928	HMDB	NA	NA
+HMDB01928	Hydrochlorothiazide	C7H8ClN3O4S2	296.96448	http://www.hmdb.ca/metabolites/HMDB01928	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01928	Hydrochlorothiazide	C7H8ClN3O4S2	296.96448	HMDB01928	PFEM_hmdb_metabocards_official	NA	NA
+MJ026049	Cloracetadol 	C10H10Cl3NO3	296.972626	NA	MeJP	NA	NA
+MJ026050	O-(4-Aminosulfonylphenyl) O,O-dimethyl phosphorothioate 	C8H12NO5PS2	296.98945	NA	MeJP	NA	NA
+MJ026051	Coniothyriomycin 	C13H12ClNO5	297.0404	NA	MeJP	NA	NA
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	PFEM_hmdb_metabocards_urine	NA	urine
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	HMDB	NA	NA
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	Inhouse_PFEM	NA	NA
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	PFEM_hmdb_metabocards_blood	NA	blood
+TEST007	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.0453	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.045319	NA	HMDB2010	NA	NA
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.04532	http://www.hmdb.ca/metabolites/HMDB00709	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.04532	http://www.hmdb.ca/metabolites/HMDB00709	HMDB	NA	NA
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.04532	NA  ;SYN:1H-imidazol-4-ylacetic acid; 1H-Imidazole-4-acetic acid; 4(5)-Imidazoleacetate; 4-Imidazoleacetate; 4-Imidazoleacetic acid; IAA; IMAC; imidazol-4-ylacetic acid; Imidazole acetate; Imidazole-4-acetate; Imidazole-4-acetic acid; Imidazolyl-4-acetic acid; IZC; Lopac-I-0375H2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.04532	http://www.hmdb.ca/metabolites/HMDB00709	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00709	L-Cysteinylglycine disulfide	C8H15N3O5S2	297.04532	HMDB00709	PFEM_hmdb_metabocards_official	NA	NA
+MJ026052	Palatrigine 	C12H13Cl2N5	297.0548	NA	MeJP	NA	NA
+MJ026053	Glybuzole 	C12H15N3O2S2	297.060568	NA	MeJP	NA	NA
+HMDB06788	Phosphatidyl-N-dimethylethanolamine	C9H16NO8P	297.06134	http://www.hmdb.ca/metabolites/HMDB06788	HMDB	NA	NA
+HMDB06788	Phosphatidyl-N-dimethylethanolamine	C9H16NO8P	297.06134	HMDB06788	PFEM_hmdb_metabocards_official	NA	NA
+MJ026054	Glycoprilat 	C13H15NO5S	297.067093	NA	MeJP	NA	NA
+C16626	Albendazole sulfone	C12H15N3O4S	297.0783	NA	KEGG	NA	NA
+MJ026055	Glutamic acid, N-(4-Hydroxy-3-methoxybenzoyl) 	C13H15NO7	297.084851	NA	MeJP	NA	NA
+MJ026056	5'-Thioadenosine; 3'-Epimer, S-Me 	C11H15N5O3S	297.08956	NA	MeJP	NA	NA
+MJ026057	5'-Thioadenosine; S-Me 	C11H15N5O3S	297.08956	NA	MeJP	NA	NA
+MJ026058	5'-Methylthioadenosine 	C11H15N5O3S	297.08956	NA	MeJP	NA	NA
+MetaCyc02643	5'-methylthioformycin [5'-Mtf;D-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-5-S-methyl-5-thio-, (S)-;]	C11H15N5O3S1	297.08956	NA	metacyc	NA	NA
+MetaCyc02644	5'-methylthioadenosine [methylthioadenosine;S-methyl-5'-thioadenosine;5'-S-methyl-5'-thioadenosine;MTA;S-methyl-adenosine;]	C11H15N5O3S1	297.08956	2457-80-9	metacyc	NA	NA
+HMDB01173	5'-Methylthioadenosine	C11H15N5O3S	297.089569	NA	HMDB2010	NA	NA
+HMDB01173	5'-Methylthioadenosine	C11H15N5O3S	297.08957	http://www.hmdb.ca/metabolites/HMDB01173	HMDB	NA	NA
+HMDB01173	5'-Methylthioadenosine	C11H15N5O3S	297.08957	HMDB01173	PFEM_hmdb_metabocards_official	NA	NA
+C00170	5'-Methylthioadenosine	C11H15N5O3S	297.0896	NA	KEGG	NA	NA
+C00171	5'-Phosphomononucleotide	C5H10O7PR	297.0896	NA	KEGG	NA	NA
+C00172	3'-Phosphooligonucleotide	C10H19O16P3R2	297.0896	NA	KEGG	NA	NA
+C00173	Acyl-[acyl-carrier protein]	C3H4OSR2	297.0896	NA	KEGG	NA	NA
+C00174	Acid	C3H4OSR2	297.0896	NA	KEGG	NA	NA
+MJ026059	Clavaminic acid, N-(Acetylamino)acetyl 	C12H15N3O6	297.096085	NA	MeJP	NA	NA
+MJ026060	Teroxirone 	C12H15N3O6	297.096085	NA	MeJP	NA	NA
+C09569	Longifolonine	C17H15NO4	297.1001	NA	KEGG	NA	NA
+MJ026061	3-(4-Hydroxy-3,5-dimethoxybenzylidene)-2-indolinone 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026062	Annocherine A 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026063	Assoanine; 7-Oxo, N-oxide 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026064	Canelillinoxine 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026065	Cularicine, N-De-Me 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026066	Longifolonine 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026067	Papaveroline; 6-Me ether 	C17H15NO4	297.100107	NA	MeJP	NA	NA
+MJ026068	Tritiozine 	C14H19NO4S	297.103478	NA	MeJP	NA	NA
+CJpos0706	N2-methylguanosine [(M+H)]+	C11H16N5O5	297.106775	C18rt(min)=4.52 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0706	N2-methylguanosine [(M+H)]+	C11H16N5O5	297.106775	C18rt(min)=4.52 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C05342	Psicofuranin	C11H15N5O5	297.1073	NA	KEGG	NA	NA
+MJ026069	1-Methylguanosine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026070	2'-O-Methylguanosine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026071	2-Methoxyadenosine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026072	7-Methylguanosine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026073	Doridosine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026074	Guanosine; 2-N-Me 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026075	Nelzarabine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+MJ026076	Psicofuranine 	C11H15N5O5	297.107318	NA	MeJP	NA	NA
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB01563	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB01563	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB01563	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB01563	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB01563	HMDB	NA	NA
+HMDB05862	2-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB05862	HMDB	NA	NA
+HMDB06038	3'-O-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB06038	HMDB	NA	NA
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	http://www.hmdb.ca/metabolites/HMDB01563	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	HMDB01563	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05862	2-Methylguanosine	C11H15N5O5	297.10733	HMDB05862	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06038	3'-O-Methylguanosine	C11H15N5O5	297.10733	HMDB06038	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01563	1-Methylguanosine	C11H15N5O5	297.10733	NA	HMDB2010	NA	NA
+HMDB05862	2-Methylguanosine	C11H15N5O5	297.10733	NA	HMDB2010	NA	NA
+HMDB06038	3'-O-Methylguanosine	C11H15N5O5	297.10733	NA	HMDB2010	NA	NA
+CJneg0502	N2-methylguanosine [(M-H)]-	C11H14N5O5	297.107825	C18rt(min)=4.52 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0502	N2-methylguanosine [(M-H)]-	C11H14N5O5	297.107825	C18rt(min)=4.52 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ026077	4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol 	C16H15N3O3	297.111341	NA	MeJP	NA	NA
+MJ026078	Duloxetine 	C18H19NOS	297.118734	NA	MeJP	NA	NA
+MJ026079	Tolindate 	C18H19NOS	297.118734	NA	MeJP	NA	NA
+MJ026080	Nordomoic acid 	C14H19NO6	297.121237	NA	MeJP	NA	NA
+MJ026081	Spirostaphylotrichin R 	C14H19NO6	297.121237	NA	MeJP	NA	NA
+MJ026082	Spirostaphylotrichin S 	C14H19NO6	297.121237	NA	MeJP	NA	NA
+HMDB10323	Phenethylamine glucuronide	C14H19NO6	297.121246	NA	HMDB2010	NA	NA
+MJ026083	1-(5-Quinolinyl)-?-carboline; 3,4-Dihydro 	C20H15N3	297.126597	NA	MeJP	NA	NA
+MJ026084	1-(8-Quinolinyl)-?-carboline; 3,4-Dihydro 	C20H15N3	297.126597	NA	MeJP	NA	NA
+MJ026085	Losindole 	C19H20ClN	297.128427	NA	MeJP	NA	NA
+MJ026086	Tazomeline 	C14H23N3S2	297.133339	NA	MeJP	NA	NA
+3088	gluten B5 exorphin	YGGWL	297.134	MH2+	Inhouse_peptide	NA	peptide
+MJ026087	1,2,10-Trimethoxyaporphine, O1,N-Di-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026088	1,2,10-Trimethoxyaporphine, O1,O10-Di-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026089	1,2,10-Trimethoxyaporphine, O10,N-Di-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026090	1,2,10-Trimethoxyaporphine, O1,O10-Di-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026091	1-Piperettylpyrrolidine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026092	3,6-Dihydroxy-4,5-diphenyl-2-piperidinone; N-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026093	3-Hydroxynuciferine, N-De-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026094	7-Hydroxy-4-methoxy-8-prenylfuro[2,3-b]quinoline; Me ether 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026095	Aegeline 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026096	Cinnamolaurine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026097	Clausenamide 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026098	Coccudienone 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026099	Coccuvine; Natural-form, 15-Deoxy, 16-methoxy, 8-oxo 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026100	Coccuvine; Natural-form, Me ether, 8-oxo 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026101	Codeinone 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026102	Crotonosine, Me ether 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026103	Crotonosine, N-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026104	Crotsparine; N-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026105	Dihydroxygirinimbine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026106	Diolmycin A1 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026107	Erysotramidine, 15- or 16-Demethoxy 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026108	Erysotrine, 10,11-Didehydro, O15-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026109	Erysotrine, 10,11-Didehydro,O16-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026110	Erythraline 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026111	Glaziovine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026112	Isopiline 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026113	Isothebaidine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026114	Liridinine; N-De-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026115	Manibacanine, O2-De-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026116	Orientine, O',N-Di-de-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026117	Oripavine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026118	Pachyconfine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026119	Pseudomanibacanine, O2-De-Me 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026120	Roemeramine; 10-Ketone 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026121	Viguine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026122	7,8-Didehydro-4,5-epoxy-3-methoxy-17-methoxy-(5_)-morphinan-6-one 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026123	Neopinone 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MJ026124	Oripavine 	C18H19NO3	297.136493	NA	MeJP	NA	NA
+MetaCyc02645	oripavine []	C18H19N1O3	297.136493	NA	metacyc	NA	NA
+MetaCyc02646	neopinone []	C18H19N1O3	297.136493	NA	metacyc	NA	NA
+MetaCyc02647	codeinone []	C18H19N1O3	297.136493	NA	metacyc	NA	NA
+C06171	Codeinone	C18H19NO3	297.1365	NA	KEGG	NA	NA
+C06172	Neopinone	C18H19NO3	297.1365	NA	KEGG	NA	NA
+C06175	Oripavine	C18H19NO3	297.1365	NA	KEGG	NA	NA
+C09340	(-)-Apoglaziovine	C18H19NO3	297.1365	NA	KEGG	NA	NA
+C09457	Glaziovine	C18H19NO3	297.1365	NA	KEGG	NA	NA
+C15087	3-Hydroxyestra-1,3,5(10),7-tetraene-16,17-dione 16-oxime	C18H19NO3	297.1365	NA	KEGG	NA	NA
+C17077	Tuduranine	C18H19NO3	297.1365	NA	KEGG	NA	NA
+PJ000205	AAH 	C12H19N5O4	297.1437	NA	PeJP	NA	NA
+C11484	GA	C17H19N3O2	297.1477	NA	KEGG	NA	NA
+3165	laminin-like peptide	YIGSR	297.1505	MH2+	Inhouse_peptide	NA	peptide
+3427	NA	YIGSR	297.1505	MH2+	Inhouse_peptide	NA	peptide
+MJ026125	11-[3-(Dimethylamino)propyl]-6,11-dihydrodibenzo[b,e]thiepine 	C19H23NS	297.15512	NA	MeJP	NA	NA
+MJ026126	2-Amino-4-(3,4,5-trihydroxyphenyl)butanoic acid; 3',5'-Di-Me ether, N-tri-Me, betaine 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026127	4-(2-Aminoethyl)phenol; N-Me, O-?-L-rhamnopyranoside 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026128	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 3R-Hydroxy 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026129	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 4?-Hydroxy 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026130	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 5R-Hydroxy 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026131	Austrodimerine 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026132	Callimorphine 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026133	Streptovitacin D 	C15H23NO5	297.157622	NA	MeJP	NA	NA
+MJ026134	Pipofezine 	C16H19N5O	297.15896	NA	MeJP	NA	NA
+MJ026135	Atanine; O-De-Me, O-(3-methyl-2-butenyl) 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026136	Buchapine 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026137	Cuspareine, 3'-O-De-Me 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026138	Elucaine 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026139	Haplofoline; N-(3-Methyl-2-butenyl) 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026140	Ibuprofen, 2-Pyridinylmethyl ester 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026141	Minamestane 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026142	Trepipam 	C19H23NO2	297.172878	NA	MeJP	NA	NA
+MJ026143	Diphthine; 1'-Amide 	C13H23N5O3	297.180089	NA	MeJP	NA	NA
+2621	synthetic fr,of human beta-CN (72-77) ACE inhibitor	PAVVLP	297.1805	MH2+	Inhouse_peptide	NA	peptide
+MJ026144	Acetergamine 	C18H23N3O	297.184112	NA	MeJP	NA	NA
+MJ026145	Atolide 	C18H23N3O	297.184112	NA	MeJP	NA	NA
+MJ026146	Vamicamide 	C18H23N3O	297.184112	NA	MeJP	NA	NA
+C11840	N-(3-Oxododecanoyl)homoserine lactone	C16H27NO4	297.194	NA	KEGG	NA	NA
+MJ026147	Amabiline; 3'-Epimer, O3'-Me 	C16H27NO4	297.194008	NA	MeJP	NA	NA
+MJ026148	Curassavine; 1,2-Didehydro 	C16H27NO4	297.194008	NA	MeJP	NA	NA
+MJ026149	Guafecainol 	C16H27NO4	297.194008	NA	MeJP	NA	NA
+MJ026150	Valperinol 	C16H27NO4	297.194008	NA	MeJP	NA	NA
+MJ026151	2,7-Hexadecadien-10-ynoic acid, Pyrrolide 	C20H27NO	297.209264	NA	MeJP	NA	NA
+MJ026152	2-Undecyl-4(1H)-quinolinone; 3',4'-Didehydro 	C20H27NO	297.209264	NA	MeJP	NA	NA
+MJ026153	Sanyonamine; 2-Deoxy 	C20H27NO	297.209264	NA	MeJP	NA	NA
+MJ026154	Spirasine XI 	C20H27NO	297.209264	NA	MeJP	NA	NA
+MJ026155	Treptilamine 	C20H27NO	297.209264	NA	MeJP	NA	NA
+MJ026156	1-Amino-4-tridecen-2-ol, N,O-Di-Ac 	C17H31NO3	297.230393	NA	MeJP	NA	NA
+MJ026157	3-Formamido-8-bisabolene-7,10-diol; 7-Me ether 	C17H31NO3	297.230393	NA	MeJP	NA	NA
+MJ026158	7-Isocyano-1(14),15-neoamphilectadiene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026159	7-Isocyano-1-cycloamphilectene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026160	7-Isocyano-10,14-amphilectadiene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026161	7-Isocyano-10-cycloamphilectene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026162	7-Isocyano-11(20),14-epiamphilectadiene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026163	7-Isocyano-11(20),15-amphilectadiene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026164	7-Isocyano-11,15-neoamphilectadiene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026165	7-Isocyano-11-cycloamphilectene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026166	7-Isocyano-14-isocycloamphilectene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026167	8-Isocyano-1(12)-cycloamphilectene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026168	8-Isocyano-10,14-amphilectadiene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026169	8-Isocyano-10-cycloamphilectene 	C21H31N	297.245649	NA	MeJP	NA	NA
+MJ026170	Isoquinoline; N-Dodecyl 	C21H32N(+)	297.24565	NA	MeJP	NA	NA
+MJ026171	Cassine 	C18H35NO2	297.266779	NA	MeJP	NA	NA
+MJ026172	Isomylamine 	C18H35NO2	297.266779	NA	MeJP	NA	NA
+MJ026173	Prosafrine, 10'-Ketone 	C18H35NO2	297.266779	NA	MeJP	NA	NA
+MJ026174	3-Ketosphingosine 	C18H35NO2	297.266779	NA	MeJP	NA	NA
+C06121	3-Ketosphingosine	C18H35NO2	297.2668	NA	KEGG	NA	NA
+C10136	Cassine	C18H35NO2	297.2668	NA	KEGG	NA	NA
+C11124	Spiroxamine	C18H35NO2	297.2668	NA	KEGG	NA	NA
+HMDB01334	Tridemorph	C19H39NO	297.30316	http://www.hmdb.ca/metabolites/HMDB01334	HMDB	NA	NA
+HMDB01334	Tridemorph	C19H39NO	297.30316	HMDB01334	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02648	2,6-dimethyl-4-tridecyl-morpholine [tridemorph;4-tridecyl-2,6-dimethylmorpholine;kalixin;calixine;kalinin;morpholine, 2,6-dimethyl-4-tridecyl-;morpholine, 2,6-dimethyl-N-tridecyl-;]	C19H39N1O1	297.303165	NA	metacyc	NA	NA
+C11285	Tridemorph	C19H39NO	297.3032	NA	KEGG	NA	NA
+MJ026175	Motuporamine A 	C18H39N3	297.314398	NA	MeJP	NA	NA
+MJ026176	Octadecylamine; N,N-Di-Me 	C20H43N	297.33955	NA	MeJP	NA	NA
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR304	Gluthation oxyde F6	NA	297.562175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR304	Gluthation oxyde F6	NA	297.562175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR304	Gluthation oxyde F6	NA	297.562175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR304	Gluthation oxyde F6	NA	297.562175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR304	Glutathione oxidized F6	F6	297.562175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+2625	synthetic fr,of human beta-CN (59-63) ACE inhibitor	YGFLP	297.644	MH2+	Inhouse_peptide	NA	peptide
+2866	NA	YGFLP	297.644	MH2+	Inhouse_peptide	NA	peptide
+MJ026177	Dibromoiodomethane 	CHBr2I	297.748968	NA	MeJP	NA	NA
+MJ026178	Bis(trichloromethyl) sulfide; S,S-Dioxide 	C2Cl6O2S	297.775016	NA	MeJP	NA	NA
+MJ026179	(1-Acetoxy-2,2,2-trichloroethyl)phosphonic acid; Di-Me ester 	C6H10Cl3O5P	297.933143	NA	MeJP	NA	NA
+C07695	Sodium nitroprusside dihydrate	C5FeN6O	297.949	NA	KEGG	NA	NA
+C07696	Transferred to D00615	C5FeN6O	297.949	NA	KEGG	NA	NA
+C07697	Transferred to D00616	C5FeN6O	297.949	NA	KEGG	NA	NA
+C07698	Transferred to D00617	C5FeN6O	297.949	NA	KEGG	NA	NA
+MJ026180	5-Bromo-4-chloro-1-chloroethenyl-2,4-dimethylcyclohexene; 1?,2?-Epoxide 	C10H13BrCl2O	297.952683	NA	MeJP	NA	NA
+MJ026181	Allocupreide 	C11H11CuN2O2S	297.983724	NA	MeJP	NA	NA
+MJ026182	Pantopyranoid B 	C10H16BrClO3	297.997134	NA	MeJP	NA	NA
+MetaCyc02649	herbicide 14A []	C7H12N2O7P2	298.011974	NA	metacyc	NA	NA
+MJ026183	5,7-Dihydroxy-6-oxo-6H-anthra[1,9-bc]thiophene-1-carboxylic acid; 11-Alcohol 	C16H10O4S	298.029979	NA	MeJP	NA	NA
+C07995	Magnesium salicylate	C14H10MgO6	298.0328	NA	KEGG	NA	NA
+C10202	Bowdichione	C16H10O6	298.0477	NA	KEGG	NA	NA
+C10467	Irilone	C16H10O6	298.0477	NA	KEGG	NA	NA
+C16226	2',7-Dihydroxy-4',5'-methylenedioxyisoflavone	C16H10O6	298.0477	NA	KEGG	NA	NA
+FL3FEANS0010	Kanzakiflavone 2	C16H10O6	298.04773	60948-17-6	knapsack	NA	NA
+FL5FPTNS0005	Peltogynin;2,3,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one	C16H10O6	298.04773	17093-85-5	knapsack	NA	NA
+FL5FPTNS0006	Mopanin;3,4,10-Trihydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one;Mopanine	C16H10O6	298.04773	17093-84-4	knapsack	NA	NA
+FLIA1LNS0002	2-Hydroxypseudobaptigenin	C16H10O6	298.04773	-	knapsack	NA	NA
+FLIA1LNS0005	Glyzaglabrin;7,2'-Dihydroxy-3',4'-methylenedioxyisoflavone	C16H10O6	298.04773	65242-64-0	knapsack	NA	NA
+FLIAACNS0002	5-Hydroxypseudobaptigenin	C16H10O6	298.04773	40624-03-1	knapsack	NA	NA
+FLIAE8NS0006	Irisone B;5,2'-Dihydroxy-6,7-methylenedioxyisoflavone	C16H10O6	298.04773	97359-75-6	knapsack	NA	NA
+FLIAEANS0001	Irilone;5,4'-Dihydroxy-6,7-methylenedioxyisoflavone	C16H10O6	298.04773	41653-81-0	knapsack	NA	NA
+FLICQUNS0001	Bowdichione	C16H10O6	298.04773	53774-75-7	knapsack	NA	NA
+FLIE1CNS0002	8-Methoxycoumestrol;3'-Methoxycoumestrol;7,12-Dihydroxy-11-methoxycoumestan	C16H10O6	298.04773	13360-66-2	knapsack	NA	NA
+FLIE1LNS0002	Trifoliol;3,7-Dihydroxy-9-methoxycoumestan;7,10-Dihydroxy-12-methoxycoumestan	C16H10O6	298.04773	1857-26-7	knapsack	NA	NA
+FLIE3ANS0001	Sativol;4,9-Dihydroxy-3-methoxycoumestan;8,12-Dihydroxy-7-methoxycoumestan	C16H10O6	298.04773	7331-58-0	knapsack	NA	NA
+FLIH1LNS0002	7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin	C16H10O6	298.04773	54300-96-8	knapsack	NA	NA
+FLNARNNS0001	4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin	C16H10O6	298.04773	89783-74-4	knapsack	NA	NA
+MJ026184	1,2,3-Trihydroxyanthraquinone; 2-Ac 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026185	1,3,5-Trihydroxyanthraquinone-2-carboxaldehyde; 1-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026186	1,3,9-Trihydroxycoumestan; 1-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026187	1,3-Dihydroxyanthraquinone-2-carboxylic acid; 1-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026188	1,3-Dihydroxyanthraquinone-2-carboxylic acid; Me ester 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026189	2',3',4',7-Tetrahydroxyisoflavone; 3',4'-Methylene ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026190	2',5,6,7-Tetrahydroxyisoflavone; 6,7-Methylene ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026191	2,3,9-Trihydroxycoumestan; 2-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026192	2,3,9-Trihydroxycoumestan; 9-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026193	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026194	3,4,9-Trihydroxycoumestan; 3-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026195	3,7,9-Trihydroxycoumestan; 9-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026196	3,8,9-Trihydroxycoumestan; 9-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026197	3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026198	4',5-Dihydroxy-6,7-methylenedioxyflavone 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026199	4',5-Dihydroxy-6,7-methylenedioxyisoflavone 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026200	5,7-Dihydroxy-3',4'-methylenedioxyflavone 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026201	5,9,10-Trihydroxy-2H-pyrano[2,3,4-kl]xanthen-2-one; 7-Me ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026202	7-Hydroxy-3-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-2-one; 4',5'-Methylene ether 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026203	Aflatoxin B1, O-De-Me 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026204	Ayamenin B; 2-Methoxy 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026205	Bowdichione 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026206	Coccineone B 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026207	Desmoxyphyllin B 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026208	Fallacinal 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026209	Mopanin 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MJ026210	Peltogynin 	C16H10O6	298.047738	NA	MeJP	NA	NA
+MetaCyc02650	2'-hydroxypseudobaptigenin [2',7-dihydroxy-3',4'-methylenedioxyisoflavone;DMI;]	C16H10O6	298.047738	NA	metacyc	NA	NA
+MJ026211	Phoxim 	C12H15N2O3PS	298.054099	NA	MeJP	NA	NA
+C11030	Quinalphos	C12H15N2O3PS	298.0541	NA	KEGG	NA	NA
+MJ026212	Glyprothiazol 	C11H14N4O2S2	298.055817	NA	MeJP	NA	NA
+MJ026213	Nestifylline 	C11H14N4O2S2	298.055817	NA	MeJP	NA	NA
+MJ026214	10-Bromo-9-hydroxy-15-nor-1,7(14)-chamigradien-3-one 	C14H19BrO2	298.056842	NA	MeJP	NA	NA
+MJ026215	2-Amino-3-oxo-3H-phenoxazine-8-carboxylic acid; N2-Ac 	C15H10N2O5	298.058971	NA	MeJP	NA	NA
+MJ026216	2-Hydroxy-1,6-phenazinedicarboxylic acid; 1'-Me ester 	C15H10N2O5	298.058971	NA	MeJP	NA	NA
+MJ026217	Mikrolin 	C14H15ClO5	298.060801	NA	MeJP	NA	NA
+MJ026218	Zaltoprofen 	C17H14O3S	298.066365	NA	MeJP	NA	NA
+MJ026219	2,3,4-Trihydroxybutanoic acid, 4-O-(3,4-Dihydroxycinnamoyl) 	C13H14O8	298.068867	NA	MeJP	NA	NA
+HMDB10324	Benzoyl glucuronide (Benzoic acid)	C13H14O8	298.068878	NA	HMDB2010	NA	NA
+C00994	D-Prephenyllactate	C13H14O8	298.0689	NA	KEGG	NA	NA
+C00995	Ferricytochrome b1	C13H14O8	298.0689	NA	KEGG	NA	NA
+C00996	Ferricytochrome b5	C13H14O8	298.0689	NA	KEGG	NA	NA
+C00997	Ferricytochrome c2	C13H14O8	298.0689	NA	KEGG	NA	NA
+C00998	Ferrocytochrome b1	C13H14O8	298.0689	NA	KEGG	NA	NA
+C00999	Ferrocytochrome b5	C13H14O8	298.0689	NA	KEGG	NA	NA
+C01000	Ferrocytochrome c2	C13H14O8	298.0689	NA	KEGG	NA	NA
+MJ026220	Cycloclinacoside A1 	C10H18O8S	298.072238	NA	MeJP	NA	NA
+MJ026221	6-Thioinosine; S-Me 	C11H14N4O4S	298.073575	NA	MeJP	NA	NA
+C14525	Mefenacet	C16H14N2O2S	298.0776	NA	KEGG	NA	NA
+MJ026222	1,2-Dithiolo[4,3-b]pyrrol-5(4H)-one; N6-(5-Methylhexanoyl), N4-Me 	C13H18N2O2S2	298.080969	NA	MeJP	NA	NA
+C10019	Apigenin 7,4'-dimethyl ether	C17H14O5	298.0841	NA	KEGG	NA	NA
+C10199	Afrormosin	C17H14O5	298.0841	NA	KEGG	NA	NA
+C10527	Sayanedine	C17H14O5	298.0841	NA	KEGG	NA	NA
+FL1C1ANM0001	Isoneobavachalcone	C17H14O5	298.08412	76444-57-0	knapsack	NA	NA
+FL1C1ANM0002	Neobavachalcone	C17H14O5	298.08412	65621-10-5	knapsack	NA	NA
+FL2FA9NM0008	Lawinal	C17H14O5	298.08412	55743-09-4	knapsack	NA	NA
+FL3F1CNS0003	Tithonine	C17H14O5	298.08412	30867-08-4	knapsack	NA	NA
+FL3F1CNS0007	7-Hydroxy-3',4'-dimethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one	C17H14O5	298.08412	33513-36-9	knapsack	NA	NA
+FL3F98NS0006	5-Hydroxy-6,2'-dimethoxyflavone	C17H14O5	298.08412	16266-96-9	knapsack	NA	NA
+FL3FA8NS0005	5-Hydroxy-7,2'-dimethoxyflavone	C17H14O5	298.08412	-	knapsack	NA	NA
+FL3FAANM0002	6,8-Dimethylapigenin;Syzalterin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one	C17H14O5	298.08412	94451-48-6	knapsack	NA	NA
+FL3FCANM0002	8-Demethylsideroxylin;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one	C17H14O5	298.08412	80621-54-1	knapsack	NA	NA
+FL3FCBNS0001	Apigenin 7,4'-dimethyl ether;5-Hydroxy-4',7-dimethoxyflavone;Genkwanin 4'-methyl ether;7-O-Methylacacetin;Acacetin 7-methyl ether;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O5	298.08412	5128-44-9	knapsack	NA	NA
+FL3FE9NS0004	Baicalein 5,6-dimethyl ether;7-Hydroxy-5,6-Dimethoxyflavone	C17H14O5	298.08412	04/05/2035	knapsack	NA	NA
+FL3FE9NS0005	Mosloflavone;5-Hydroxy-6,7-Dimethoxyflavone	C17H14O5	298.08412	740-33-0	knapsack	NA	NA
+FL3FF9NS0003	Norwogonin 5,8-dimethyl ether;7-Hydroxy-5,8-Dimethoxyflavone	C17H14O5	298.08412	3316-54-9	knapsack	NA	NA
+FL3FF9NS0004	7-O-Methylwogonin;7-O-Methylwogonine;Moslosooflavone;5-Hydroxy-7,8-dimethoxyflavone	C17H14O5	298.08412	3570-62-5	knapsack	NA	NA
+FL5FA9NM0002	5,7-Dihydroxy-3-methoxy-8-methylflavone	C17H14O5	298.08412	93322-39-5	knapsack	NA	NA
+FL5FA9NM0003	3,5-Dihydroxy-7-methoxy-8-methylflavone	C17H14O5	298.08412	97208-77-0	knapsack	NA	NA
+FL5FA9NM0004	3,5,7-Trihydroxy-6,8-dimethylflavone	C17H14O5	298.08412	97208-72-5	knapsack	NA	NA
+FL5FA9NS0006	Galangin 3,7-dimethyl ether;3,7-Dimethoxy-5-hydroxyflavone;3,7-Dimethylgalangin;5-Hydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O5	298.08412	70786-48-0	knapsack	NA	NA
+FL5FA9NS0007	Galangin 5,7-dimethyl ether	C17H14O5	298.08412	15236-07-4	knapsack	NA	NA
+FLIA1CNS0002	Sayanedine	C17H14O5	298.08412	30564-92-2	knapsack	NA	NA
+FLIA1CNS0007	Cladrin;7-Hydroxy-3',4'-dimethoxyisoflavone	C17H14O5	298.08412	24160-14-3	knapsack	NA	NA
+FLIA2ANS0001	Afrormosin;Afromosin;Castanin	C17H14O5	298.08412	550-79-8	knapsack	NA	NA
+FLIA2ANS0006	Alfalone;6-Hydroxy-7,4'-dimethoxyisoflavone	C17H14O5	298.08412	970-48-9	knapsack	NA	NA
+FLIA3ANS0002	8-O-Methylretusin	C17H14O5	298.08412	37816-20-9	knapsack	NA	NA
+FLIABBNS0001	5-O-Methylbiochanin A	C17H14O5	298.08412	68939-22-0	knapsack	NA	NA
+FLID1CNS0004	Pterocarpin;3-Methoxy-8,9-methylenedioxypterocarpan	C17H14O5	298.08412	524-97-0	knapsack	NA	NA
+FLNA49NS0001	Kuhlmannin;6-Hydroxy-7,8-dimethoxy-4-phenylcoumarin	C17H14O5	298.08412	20972-79-6	knapsack	NA	NA
+FLNADANS0001	4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin	C17H14O5	298.08412	88126-44-7	knapsack	NA	NA
+MJ026223	1,2,3-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026224	1,2,5,6,7-Phenanthrenepentol; 5,6-Methylene ether, 1,7-di-Me 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026225	1,2,6-Trihydroxy-3-methylanthraquinone; 1,6-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026226	1,2,8-Trihydroxy-3-methylanthraquinone; 1,2-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026227	1,3,4-Trihydroxy-2,7-phenanthraquinone; Tri-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026228	1,3,6-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026229	1,3,6-Trihydroxy-8-propylanthraquinone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026230	1,3,8-Trihydroxy-2,6-dimethylanthraquinone; 3-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026231	1,3,8-Trihydroxy-2-methylanthraquinone; 3,8-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026232	1,3,8-Trihydroxy-6-methylanthraquinone; 1,3-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026233	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Et ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026234	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1,1'-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026235	1,4-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Et ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026236	1,5,8-Trihydroxy-2,3-dimethylanthraquinone; 8-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026237	1,6,7-Trihydroxy-2-methylanthraquinone; 6,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026238	1,6,8-Trihydroxy-3-propylanthraquinone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026239	2',4',5',7-Tetrahydroxyisoflavene; 2'-Me, 4',5'-methylene ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026240	2',4',7-Trihydroxyisoflavone; 2',4'-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026241	2',4',7-Trihydroxyisoflavone; 4',7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026242	2',5,6-Trihydroxyflavone; 2',6-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026243	2',5,7-Trihydroxy-6-methylisoflavone; 2'-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026244	2,3,4,7,8-Phenanthrenepentol; 2,4-Di-Me, 7,8-methylene ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026245	2,4,7-Trihydroxyphenanthraquinone; Tri-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026246	2,5,7-Trihydroxyisoflavone; 2,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026247	2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid; Aldehyde, 4',6-di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026248	2-(2-Hydroxy-4-methoxyphenyl)-3-methyl-5,6-methylenedioxybenzofuran 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026249	2-Formyl-3,9-dihydroxypterocarpan; 3-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026250	3',4',7-Trihydroxyflavone; 3',4'-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026251	3',4',7-Trihydroxyflavone; 4',7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026252	3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026253	3',4',7-Trihydroxyisoflavone; 3',7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026254	3,4',7-Trihydroxyflavone; 3,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026255	3,5,7-Trihydroxy-6,8-dimethylflavone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026256	3,5,7-Trihydroxy-8-methylflavone; 3-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026257	3,5,7-Trihydroxy-8-methylflavone; 7-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026258	3,5,7-Trihydroxyflavone; 3,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026259	3,5,7-Trihydroxyflavone; 5,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026260	3,6,7-Trihydroxy-4-phenyl-2H-1-benzopyran-2-one; 6,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026261	3,6,7-Trimethoxy-1,4-phenanthraquinone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026262	4',5,6,7-Tetrahydroxyflavylium(1+); 4',5-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026263	4',5,7-Trihydroxy-6,8-dimethylflavone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026264	4',5,7-Trihydroxy-6-methylflavone; 7-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026265	4',5,7-Trihydroxyisoflavone; 4',5-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026266	4',5,7-Trihydroxyisoflavone; 4',7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026267	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026268	4',6,7-Trihydroxyisoflavone; 4',7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026269	4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026270	5,6,7-Trihydroxyflavone; 5,6-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026271	5,6,7-Trihydroxyflavone; 6,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026272	5,7,8-Trihydroxyflavone; 5,8-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026273	5,7,8-Trihydroxyflavone; 7,8-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026274	5,7-Dihydroxy-3-(4-hydroxybenzyl)-6-methylchromone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026275	5,7-Dihydroxy-3-(4-methoxybenzyl)-8-methyl-4-chromone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026276	5-Hydroxy-4',7-dimethoxyflavone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026277	6,7,8-Trihydroxy-3-phenyl-1H-2-benzopyran-1-one; 6,7-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026278	6,7,8-Trihydroxy-4-phenylcoumarin; 7,8-Di-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026279	6-(1-Methylethoxy)-9-oxo-9H-xanthene-2-carboxylic acid 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026280	Eucomin, 4'-O-De-Me, 7-Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026281	Eucomin 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026282	Intricatinol 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026283	Involutin; 3'-Deoxy 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026284	Lawinal 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026285	Maackiain, Me ether 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026286	Neobavachalcone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026287	Ononin 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026288	Ornatipolide 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026289	Puerol A 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026290	Sissoidenone 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026291	Trichoflectin 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MJ026292	Xanoxic acid 	C17H14O5	298.084123	NA	MeJP	NA	NA
+MetaCyc02651	afrormosin [7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-chromen-4-one;afromosin;]	C17H14O5	298.084124	NA	metacyc	NA	NA
+MJ026293	Ciclazindol 	C17H15ClN2O	298.08729	NA	MeJP	NA	NA
+MJ026294	10-Bromo-1,3,7(14)-chamigratrien-9-ol; 1,2-Dihydro,10-epimer 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026295	10-Bromo-2,3-epoxy-7-chamigrene 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026296	10-Bromo-2,7-chamigradien-9-ol 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026297	10-Bromo-2-chloro-2,7(14)-chamigradien-9-ol; Dechloro 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026298	10-Bromo-7-chamigren-2-one 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026299	Palisol 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026300	Spirolaurenone 	C15H23BrO	298.093228	NA	MeJP	NA	NA
+MJ026301	1,6-Phenazinedicarboxylic acid; 5,10-Dihydro, di-Me ester 	C16H14N2O4	298.095356	NA	MeJP	NA	NA
+MJ026302	Amlexanox 	C16H14N2O4	298.095356	NA	MeJP	NA	NA
+MJ026303	Nybomycin 	C16H14N2O4	298.095356	NA	MeJP	NA	NA
+MJ026304	Vertilecanine A, 7-Ketone, glycine amide, Me ester 	C16H14N2O4	298.095356	NA	MeJP	NA	NA
+MJ026305	13-Chloro-11-hydroxy-3-oxo-10(14)-guaien-12,6-olide 	C15H19ClO4	298.097186	NA	MeJP	NA	NA
+MJ026306	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Deoxy, 13-chloro 	C15H19ClO4	298.097186	NA	MeJP	NA	NA
+MJ026307	Illicinone E; 12-Deoxy, 12-chloro 	C15H19ClO4	298.097186	NA	MeJP	NA	NA
+C17370	PS-5	C13H18N2O4S	298.0987	NA	KEGG	NA	NA
+MJ026308	Antibiotic NS 5; N-Ac 	C13H18N2O4S	298.098727	NA	MeJP	NA	NA
+C01961	Thalassemine	C8H19N4O6P	298.1042	NA	KEGG	NA	NA
+MJ026309	Lombricine, ?-N,N-Di-Me 	C8H19N4O6P	298.10422	NA	MeJP	NA	NA
+MJ026310	4'-Hydroxyacetophenone; O-?-D-Glucopyranoside 	C14H18O7	298.105252	NA	MeJP	NA	NA
+MJ026311	Globoscinic acid 	C14H18O7	298.105252	NA	MeJP	NA	NA
+MJ026312	Hexahydro-3,7a-dihydroxy-3a,7-dimethyl-1,4-isobenzofurandione, Di-Ac 	C14H18O7	298.105252	NA	MeJP	NA	NA
+MJ026313	Methyl ?-D-glucopyranoside; 6-Benzoyl 	C14H18O7	298.105252	NA	MeJP	NA	NA
+MJ026314	Multiforisin C 	C14H18O7	298.105252	NA	MeJP	NA	NA
+HMDB10350	2-Phenylethanol glucuronide	C14H18O7	298.105255	NA	HMDB2010	NA	NA
+C10720	Picein	C14H18O7	298.1053	NA	KEGG	NA	NA
+MJ026315	Cloximate 	C14H19ClN2O3	298.10842	NA	MeJP	NA	NA
+MJ026316	Bis(2-hydroxyhexyl) trisulfide 	C12H26O2S3	298.109492	NA	MeJP	NA	NA
+CJpos0707	N2-methylguanosine [(M+H)]+ (13C)	C1013CH16N5O5	298.110175	C18rt(min)=4.52 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0707	N2-methylguanosine [(M+H)]+ (13C)	C1013CH16N5O5	298.110175	C18rt(min)=4.52 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C17619	10-(beta-Dimethylaminopropionyl)phenothiazine	C17H18N2OS	298.114	NA	KEGG	NA	NA
+HMDB01107	7-Methylguanosine	C11H16N5O5	298.11514	http://www.hmdb.ca/metabolites/HMDB01107	HMDB	NA	NA
+HMDB01107	7-Methylguanosine	C11H16N5O5	298.11514	HMDB01107	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01107	7-Methylguanosine	C11H16N5O5	298.115143	NA	HMDB2010	NA	NA
+MJ026317	Bengazole Z 	C13H18N2O6	298.116486	NA	MeJP	NA	NA
+MetaCyc02652	N-(4-nitrophenyl)validamine []	C13H18N2O6	298.116486	97380-32-0	metacyc	NA	NA
+MJ026318	2-(2-Propoxyphenyl)-5-(1H-tetrazol-5-yl)-4(1H)-pyrimidinone 	C14H14N6O2	298.117823	NA	MeJP	NA	NA
+C07332	Dibenzylsuccinate	C18H18O4	298.1205	NA	KEGG	NA	NA
+C18165	Enterolactone	C18H18O4	298.1205	NA	KEGG	NA	NA
+FL1CA9NM0004	Aurentiacin	C18H18O4	298.1205	58969-62-3	knapsack	NA	NA
+FL1CA9NM0005	2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone	C18H18O4	298.1205	65349-31-7	knapsack	NA	NA
+FL1CQUNM0003	Ceroptene	C18H18O4	298.1205	56015-03-3	knapsack	NA	NA
+FL1CQUNM0005	Infectocaryone	C18H18O4	298.1205	371194-02-4	knapsack	NA	NA
+FL2F1ANM0001	7,4'-Dimethoxy-6-C-methylflavanone	C18H18O4	298.1205	88795-40-8	knapsack	NA	NA
+FL2FA9NM0007	5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone	C18H18O4	298.1205	55820-35-4	knapsack	NA	NA
+FL2FA9NM0009	(+)-6,8-Di-C-methylpinocembrin 5-methyl ether	C18H18O4	298.1205	83247-72-7	knapsack	NA	NA
+FL2FA9NM0011	5,7-Dimethoxy-6-C-methylflavanone	C18H18O4	298.1205	128508-16-7	knapsack	NA	NA
+MJ026319	1,2,6,7-Tetrahydro-4,8-dimethylphenanthro[3,4-b]furan-1,2,9-triol 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026320	1,4-Bis(2-hydroxy-5-methylphenyl)-1,4-butanedione 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026321	2',4',6'-Trihydroxy-3',5'-dimethylchalcone; 2'-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026322	2',4',6'-Trihydroxy-3',5'-dimethylchalcone; 4'-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026323	2',4',6'-Trihydroxy-3'-methylchalcone; 4',6'-Di-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026324	2',4,4'-Trihydroxychalcone; Tri-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026325	2,3,5,7-Phenanthrenetetrol; Tetra-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026326	2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 2'-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026327	2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 4'-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026328	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran, 3'-Deoxy 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026329	2-Phenylethanol; 4-Hydroxy-3-methoxycinnamoyl(E-) 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026330	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether, benzoyl 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026331	4',7-Dihydroxy-6-methylflavanone, Di-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026332	4,6-Tetradecadiene-8,10,12-triyne-1,3-diol, Di-Ac 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026333	5,7,8-Trihydroxy-3-flavene, Tri-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026334	5,7-Dihydroxy-6,8-dimethylflavanone, 5-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026335	5,7-Dihydroxy-6,8-dimethylflavanone, 7-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026336	5,7-Dihydroxy-6-methylflavanone, Di-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026337	5,7-Dihydroxy-8-methylflavanone, Di-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026338	Bharanginin 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026339	Ceroptin; 5-Methoxy 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026340	Demethylcacalohastine; 3,4-Didehydro, 13-acetoxy, 9-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026341	Enterolactone 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026342	Flavidin; 6-Methoxy, di-Me ether 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026343	Hariganetin 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026344	Ligballinol 	C18H18O4	298.120509	NA	MeJP	NA	NA
+MJ026345	Magnolignan E 	C18H18O4	298.120509	NA	MeJP	NA	NA
+HMDB06101	Enterolactone	C18H18O4	298.12051	http://www.hmdb.ca/metabolites/HMDB06101	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB06101	Enterolactone	C18H18O4	298.12051	http://www.hmdb.ca/metabolites/HMDB06101	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB06101	Enterolactone	C18H18O4	298.12051	http://www.hmdb.ca/metabolites/HMDB06101	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04808	7C-aglycone	C18H18O4	298.12051	http://www.hmdb.ca/metabolites/HMDB04808	HMDB	NA	NA
+HMDB06101	Enterolactone	C18H18O4	298.12051	http://www.hmdb.ca/metabolites/HMDB06101	HMDB	NA	NA
+HMDB04808	7C-aglycone	C18H18O4	298.12051	HMDB04808	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06101	Enterolactone	C18H18O4	298.12051	HMDB06101	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04808	7C-aglycone	C18H18O4	298.120514	NA	HMDB2010	NA	NA
+HMDB06101	Enterolactone	C18H18O4	298.120514	NA	HMDB2010	NA	NA
+MJ026346	6-(2-Cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methyl-4-oxo-5-hexenoic acid 	C17H18N2O3	298.131742	NA	MeJP	NA	NA
+MJ026347	Benzidol 	C17H18N2O3	298.131742	NA	MeJP	NA	NA
+MJ026348	Diphoxazide 	C17H18N2O3	298.131742	NA	MeJP	NA	NA
+MJ026349	Piprozolin 	C14H22N2O3S	298.135113	NA	MeJP	NA	NA
+MJ026350	2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 10-Hydroxy, 11-Ac 	C11H18N6O4	298.138953	NA	MeJP	NA	NA
+MJ026351	1,3,7,10,12-Pentahydroxy-2(9)-illuden-8-one 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026352	3,4,8,15-Scirpenetetrol 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026353	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026354	3,7,8,15-Scirpenetetrol 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026355	Amoenin 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026356	Debenzoyltashironin; 4-Oxo, 8-alcohol 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026357	Parviflorolide 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026358	Phomopsolide B; 6,7-Dihydro 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026359	Pseudoanisatin 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026360	Tehranolide 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026361	p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 2-Me ether, 9-(methylpropanoyl) 	C15H22O6	298.141638	NA	MeJP	NA	NA
+MJ026362	2-(Dimethylamino)-1,5-dihydro-5-(1H-indol-3-yl)-5-(2-oxopropyl)-4H-imidazol-4-one 	C16H18N4O2	298.142975	NA	MeJP	NA	NA
+MJ026363	Nialamide 	C16H18N4O2	298.142975	NA	MeJP	NA	NA
+MJ026364	Piribedil 	C16H18N4O2	298.142975	NA	MeJP	NA	NA
+MJ026365	Alimemazine 	C18H22N2S	298.150369	NA	MeJP	NA	NA
+MJ026366	Diethazine 	C18H22N2S	298.150369	NA	MeJP	NA	NA
+C07172	Trimeprazine	C18H22N2S	298.1504	NA	KEGG	NA	NA
+C07173	Transferred to D00392	C18H22N2S	298.1504	NA	KEGG	NA	NA
+MJ026367	1-[[[2-[(5-Cyano-2-pyridinyl)amino]ethyl]amino]acetyl]-2-pyrrolidinecarbonitrile 	C15H18N6O	298.154209	NA	MeJP	NA	NA
+MJ026368	Olomoucine 	C15H18N6O	298.154209	NA	MeJP	NA	NA
+MetaCyc02653	olomoucine [6-benzylamino-2-[2-hydroxyethylamino]-9-methylpurine;]	C15H18N6O1	298.154209	NA	metacyc	NA	NA
+MJ026369	1,7-Bis(4-hydroxyphenyl)-3-heptanone 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026370	1,7-Diphenyl-1,3,5-heptanetriol, 3-Ketone 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026371	1-(4-Hydroxyphenyl)-2-(2-methoxy-5-propenylphenyl)-2-propanol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026372	1-(4-Hydroxyphenyl)-7-phenyl-6-hepten-3-ol, 3'-Hydroxy 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026373	14-Hydroxyandrosta-4,6,15-triene-3,17-dione; 14?-form 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026374	2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 2'',3''-Epoxide 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026375	3-[2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-propenoic acid 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026376	3-[2,3-Dihydro-7-(3-methyl-2-butenyl)-2-(1-methylethenyl)-5-benzofuranyl]-2-propenoic acid 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026377	4,4',5-Trihydroxy-2,7'-cyclolignan, 4-Me ether 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026378	4-(2,3-Epoxy-3-methylbutyl)-5-(2-phenylethyl)-1,3-benzenediol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026379	5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone; Demethoxy 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026380	7-Hydroxy-3,6-diprenylcoumarin 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026381	7-Hydroxy-5,6-diprenylcoumarin 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026382	7-Hydroxy-6,8-bis(3-methyl-2-butenyl)-2H-1-benzopyran-2-one 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026383	8-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxy-2H-1-benzopyran-2-one 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026384	9,10-Dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene; 1'-Me ether 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026385	Acerogenin A 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026386	Acerogenin B 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026387	Alnusdiol; 11-Deoxy 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026388	Arucadiol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026389	Auraptene 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026390	Auroglaucin 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026391	Brombyin 2 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026392	Centrolobin, O-De-Me 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026393	Doisynoestrol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026394	Favelol; 1?-form, 1-Ketone 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026395	Franklinene 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026396	Glepidotin C 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026397	Gravelliferone 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026398	Hasakol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026399	Osthenol; O-(3-Methyl-2-butenyl) 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026400	Ostruthin 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026401	Perrottetin A 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026402	Peucenol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026403	Zapotecol 	C19H22O3	298.156894	NA	MeJP	NA	NA
+MJ026404	p-Mentha-1,3,5-triene-8,9-diol; 9-(3-Phenylpropanoyl) 	C19H22O3	298.156894	NA	MeJP	NA	NA
+C09281	Ostruthin	C19H22O3	298.1569	NA	KEGG	NA	NA
+C10259	Glepidotin C	C19H22O3	298.1569	NA	KEGG	NA	NA
+C15453	Doisynoestrol	C19H22O3	298.1569	NA	KEGG	NA	NA
+MJ026405	Diphthine 	C13H22N4O4	298.164105	NA	MeJP	NA	NA
+MetaCyc02654	diphthine []	C13H22N4O4	298.164105	NA	metacyc	NA	NA
+MJ026406	Aglairubine 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026407	Brafouedine 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026408	Carazolol 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026409	Doisuthine; 4'-Methoxy 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026410	Fumigaclavine B, O-Ac 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026411	Isobrafouedine 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026412	Isofumigaclavine A 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026413	Odorine, 2,3-Didehydro 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026414	Phenacaine 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026415	Strychnochromine 	C18H22N2O2	298.168127	NA	MeJP	NA	NA
+MJ026416	1,3,6-Trihydroxy-11(13)-eudesmen-12-oic acid, Me ester 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026417	10-Hydroperoxy-7-hydroxy-2,11-bisaboladien-15-oic acid; 10-Epimer, Me ester 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026418	10-Hydroperoxy-7-hydroxy-2,11-bisaboladien-15-oic acid; Me ester 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026419	11-Hydroperoxy-7-hydroxy-2,9-bisaboladien-15-oic acid, Me ester 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026420	2,3,4,6,7,8-Hexahydro-4,8-dihydroxy-2-(1-hydroxyheptyl)-5H-1-benzopyran-5-one 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026421	3-Hydroxy-5-oxo-2-(3-oxooctyl)cyclopentanepropanoic acid 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026422	Antibiotic WF 5027I 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026423	Artemisinin; 12?-Alcohol, Me ether 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026424	Deacetyldihydrobotrydial; 15-Oxo, 10-Me ether 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026425	Hebelophyllene G 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026426	Ovalicin; 4?-Alcohol 	C16H26O5	298.178023	NA	MeJP	NA	NA
+MJ026427	1-Methyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-indazole-3-carboxamide 	C17H22N4O	298.179361	NA	MeJP	NA	NA
+MJ026428	Minaprine 	C17H22N4O	298.179361	NA	MeJP	NA	NA
+MetaCyc02655	diphthamide []	C13H24N5O3	298.187915	NA	metacyc	NA	NA
+MJ026429	1,8,11,13-Cleistanthatetraene-3,7-dione; 1,2-Dihydro 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026430	10-Oxo-4,10-seco-2,4,13(15),17-spatatetraen-12-al 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026431	11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one; 11-Deoxy 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026432	11-Hydroxy-5,7,9(11),13-abietatetraen-12-one 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026433	12-Hydroxy-2,8,11,13-totaratetraen-1-one 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026434	13-Hydroxy-2,8,11,13-totaratetraen-1-one 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026435	15,16-Epoxy-7,11,13(16),14-labdatetraen-6-one 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026436	17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026437	19(4?3)-Abeo-3,8,11,13-abietatetraen-19-oic acid 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026438	2,7,13-Fusicoccatriene-4,12-dione 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026439	5-Vouacapenol; 5?-form, 8,9,11,14-Tetradehydro 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026440	6,8,12-Abietatriene-11,14-dione 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026441	8,11,13,15-Abietatetraen-18-oic acid 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026442	8,11,13,15-Abietatetraen-19-oic acid 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026443	8,11,13,15-Cleistanthatetraene-3,12-diol, 3-Ketone 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026444	8,11,13-Abietatriene-3,12-diol; 3?-form, 3-Ketone, 6,7-didehydro 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026445	8,11,13-Abietatriene-3,7-dione 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026446	8,11,13-Abietatriene-7,18-diol; 7?-form, 18-Aldehyde, 7-ketone 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026447	Atamestane 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026448	Benzestrol 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026449	Eremolactone 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026450	Juvocimene 1; 1'',2''-Epoxide 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026451	Metaseol 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026452	Methestrol 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026453	Microstegiol 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026454	Norethisterone 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026455	Staudtienic acid 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026456	Verecynarmin B 	C20H26O2	298.19328	NA	MeJP	NA	NA
+MJ026457	Verecynarmin F 	C20H26O2	298.19328	NA	MeJP	NA	NA
+C05028	Norethindrone	C20H26O2	298.1933	NA	KEGG	NA	NA
+C14249	Norethynodrel	C20H26O2	298.1933	NA	KEGG	NA	NA
+C15114	3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one	C20H26O2	298.1933	NA	KEGG	NA	NA
+C15142	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol	C20H26O2	298.1933	NA	KEGG	NA	NA
+C15219	2,6-Dimethylhexestrol	C20H26O2	298.1933	NA	KEGG	NA	NA
+C15277	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one	C20H26O2	298.1933	NA	KEGG	NA	NA
+MJ026458	Pareptide 	C14H26N4O3	298.20049	NA	MeJP	NA	NA
+C09197	Geissoschizoline	C19H26N2O	298.2045	NA	KEGG	NA	NA
+C10131	Astrophylline	C19H26N2O	298.2045	NA	KEGG	NA	NA
+MJ026459	2-Ethyl-3-[2-(3-acetylpiperidino)ethyl]indole 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026460	8-(Dipropylamino)-6,7,8,9-tetrahydro-3H-benz[e]indole-1-carboxaldehyde 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026461	Antirhine; natural-form, Dihydro 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026462	Aspidospermidine, 18-Hydroxy 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026463	Aspidospermidine, 20,21-Diepimer, Nb-oxide 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026464	Astrophylline 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026465	Capuronine 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026466	Corynantheidol 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026467	Deacetylaspidospermine, O-De-Me 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026468	Decarbomethoxytetrahydrosecodine, 16-Oxo 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026469	Decarbomethoxytetrahydrosecodine, 19-Oxo 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026470	Dihydrocorynantheol 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026471	Fendlispermine 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026472	Geissoschizoline 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026473	Melonine; Nb-Oxide 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026474	Naftypramide 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026475	Quebrachamine, 14?-Hydroxy 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026476	Rhazidigenine 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026477	Strictanol 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+MJ026478	Velbanamine 	C19H26N2O	298.204513	NA	MeJP	NA	NA
+C17158	Plakortic acid	C17H30O4	298.2144	NA	KEGG	NA	NA
+MJ026479	4,6,11-Eudesmanetriol, 4-Ac 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026480	4,6-Diethyl-3,6-dihydro-6-(2-methylhexyl)-1,2-dioxin-3-acetic acid 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026481	4,8,11-Eudesmanetriol, 8-Ac 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026482	Acaranoic acid 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026483	Albocycline; 2,3,8,9-Tetrahydro, O-de-Me 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026484	Nephrosterinic acid; 4S,20-Dihydro 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026485	Plakortic acid 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026486	Rubrynolide; 9',10'-Dihydro 	C17H30O4	298.214409	NA	MeJP	NA	NA
+MJ026487	3-Pentadecylphenol; 8',9',11',12',14',15'-Hexadehydro (Z,Z,Z-) 	C21H30O	298.229665	NA	MeJP	NA	NA
+MJ026488	8,11,13-Abietatrien-12-ol, 6,7-Didehydro, Me ether 	C21H30O	298.229665	NA	MeJP	NA	NA
+MJ026489	8,11,13-Abietatrien-12-ol; 5?-form, 6,7-Didehydro, Me ether 	C21H30O	298.229665	NA	MeJP	NA	NA
+MJ026490	Pregna-1,20-dien-3-one 	C21H30O	298.229665	NA	MeJP	NA	NA
+C15117	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol	C21H30O	298.2297	NA	KEGG	NA	NA
+MJ026491	18-Fluoro-9,12-octadecadienoic acid 	C18H31FO2	298.230808	NA	MeJP	NA	NA
+HMDB10736	3-Oxooctadecanoic acid	C18H34O3	298.250793	NA	HMDB2010	NA	NA
+MJ026492	1-Hydroxy-3-hexadecanone; Ac 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026493	10-Hydroxy-8-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026494	10-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026495	11-Cycloheptyl-2-hydroxyundecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026496	11-Hydroxy-9-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026497	11-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026498	12-Hydroxy-9-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026499	18-Hydroxy-9-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026500	4-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026501	5-Hexyltetrahydro-2-furanoctanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026502	5-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026503	6-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026504	7-Hydroxy-8,14-dimethyl-9-hexadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026505	7-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026506	8-Hydroxy-10-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026507	8-Hydroxy-9-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026508	9-Hydroxy-10-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026509	9-Hydroxy-11-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026510	9-Hydroxy-12-octadecenoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026511	9-Oxooctadecanoic acid 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MJ026512	Rosaprostol 	C18H34O3	298.250794	NA	MeJP	NA	NA
+MetaCyc02656	2-oxostearate []	C18H34O3	298.250795	NA	metacyc	NA	NA
+MetaCyc02657	18-hydroxyoleate [18-hydroxyoctadec-9-enoic acid;]	C18H34O3	298.250795	NA	metacyc	NA	NA
+C00869	2-Oxooctadecanoic acid	C18H34O3	298.2508	NA	KEGG	NA	NA
+C08365	(9Z)-(12S)-Hydroxyoctadecenoic acid	C18H34O3	298.2508	NA	KEGG	NA	NA
+C13791	(6R,7S)-6,7-Epoxyoctadecanoic acid	C18H34O3	298.2508	NA	KEGG	NA	NA
+MJ026513	Aplysillamide A; 2,3S-Dihydro 	C16H34N4O	298.273261	NA	MeJP	NA	NA
+HMDB00772	Nonadecanoic acid	C19H38O2	298.28717	http://www.hmdb.ca/metabolites/HMDB00772	HMDB	NA	NA
+HMDB00795	Pristanic acid	C19H38O2	298.28717	http://www.hmdb.ca/metabolites/HMDB00795	HMDB	NA	NA
+HMDB04085	Tuberculostearic acid	C19H38O2	298.28717	http://www.hmdb.ca/metabolites/HMDB04085	HMDB	NA	NA
+HMDB00772	Nonadecanoic acid	C19H38O2	298.28717	HMDB00772	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00795	Pristanic acid	C19H38O2	298.28717	HMDB00795	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04085	Tuberculostearic acid	C19H38O2	298.28717	HMDB04085	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00772	Nonadecanoic acid	C19H38O2	298.28717	NA	HMDB2010	NA	NA
+HMDB00795	Pristanic acid	C19H38O2	298.28717	NA	HMDB2010	NA	NA
+HMDB04085	Tuberculostearic acid	C19H38O2	298.28717	NA	HMDB2010	NA	NA
+MJ026514	10-Methyloctadecanoic acid 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026515	16-Methyloctadecanoic acid 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026516	17-Methyloctadecanoic acid 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026517	2,6,10,14-Tetramethylpentadecanoic acid 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026518	2-Methylheptadecanoic acid; Me ester 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026519	2-Methyloctadecanoic acid 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026520	3,7,11-Trimethyl-2-tridecanol, Propanoyl 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026521	4,6-Nonadecanedione; 4-Alcohol 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026522	4,6-Nonadecanedione; 6-Alcohol 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026523	4-Methyl-7-hexadecanol; Ac 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026524	7-Hydroxy-2-nonadecanone 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026525	Hexadecanoic acid; Isopropyl ester 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MJ026526	Nonadecanoic acid 	C19H38O2	298.28718	NA	MeJP	NA	NA
+MetaCyc02658	tuberculostearate [tuberculostearic acid;10-methyloctadecanoic acid;]	C19H38O2	298.28718	NA	metacyc	NA	NA
+MetaCyc02659	pristanate [pristanic-acid;]	C19H38O2	298.28718	NA	metacyc	NA	NA
+C16535	Nonadecanoic acid	C19H38O2	298.2872	NA	KEGG	NA	NA
+C16794	Tuberculostearic acid	C19H38O2	298.2872	NA	KEGG	NA	NA
+MJ026527	1-Eicosanol 	C20H42O	298.323565	NA	MeJP	NA	NA
+MJ026528	2-Eicosanol 	C20H42O	298.323565	NA	MeJP	NA	NA
+HMDB11619	Arachidyl alcohol	C20H42O	298.323578	NA	HMDB2010	NA	NA
+C13815	Tetrapentylammonium	C20H44N	298.3474	NA	KEGG	NA	NA
+3534	ACE inhibitor	YPRY	298.6395	MH2+	Inhouse_peptide	NA	peptide
+3794	NA	RYYP	298.6395	MH2+	Inhouse_peptide	NA	peptide
+7679	ACE inhibitor from bonito bowels	YRPY	298.6395	MH2+	Inhouse_peptide	NA	peptide
+C14438	Captan	C9H8Cl3NO2S	298.9341	NA	KEGG	NA	NA
+MJ026529	Diamminedichloroplatinum(II); cis-form 	Cl2H6N2Pt	298.955578	NA	MeJP	NA	NA
+C06911	Cisplatin	PtCl2	298.9556	NA	KEGG	NA	NA
+C04752	2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate	C6H11N3O7P2	299.0072	NA	KEGG	NA	NA
+C04755	Glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose	C14H25NO14PR	299.0072	NA	KEGG	NA	NA
+C04756	O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine	C8H14NO7PR2	299.0072	NA	KEGG	NA	NA
+MJ026530	2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate 	C6H11N3O7P2	299.007222	NA	MeJP	NA	NA
+MetaCyc02660	4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate [4-amino-2-methyl-5-diphosphomethylpyrimidine;2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate;HMP-PP;4-amino-5-hydroxymethyl-2-methylpyrimidine-PP;]	C6H11N3O7P2	299.007223	841-01-0	metacyc	NA	NA
+MJ026531	Traxanox 	C13H6ClN5O2	299.021002	NA	MeJP	NA	NA
+MJ026532	Azaconazole 	C12H11Cl2N3O2	299.022832	NA	MeJP	NA	NA
+MJ026533	4',7-Dihydroxy-3'-nitroisoflavone 	C15H9NO6	299.042987	NA	MeJP	NA	NA
+C11326	8-Anilino-1-naphthalene sulfonic acid	C16H13NO3S	299.0616	NA	KEGG	NA	NA
+MJ026534	Ascididemin; 11-Hydroxy 	C18H9N3O2	299.069476	NA	MeJP	NA	NA
+MJ026535	Fenbendazole 	C15H13N3O2S	299.072847	NA	MeJP	NA	NA
+MJ026536	Frentizole 	C15H13N3O2S	299.072847	NA	MeJP	NA	NA
+HMDB01016	D-4'-Phosphopantothenate	C9H18NO8P	299.076996	NA	HMDB2010	NA	NA
+HMDB01016	D-4'-Phosphopantothenate	C9H18NO8P	299.077	http://www.hmdb.ca/metabolites/HMDB01016	HMDB	NA	NA
+C03492	D-4'-Phosphopantothenate	C9H18NO8P	299.077	NA	KEGG	NA	NA
+HMDB01016	D-4'-Phosphopantothenate	C9H18NO8P	299.077	HMDB01016	PFEM_hmdb_metabocards_official	NA	NA
+MJ026537	D-4'-Phosphopantothenate 	C9H18NO8P	299.077003	NA	MeJP	NA	NA
+MetaCyc02661	D-4'-phosphopantothenate [4'-phosphopantothenate;4'-P-Pantothenate;(R)-4'-phosphopantothenate;]	C9H18N1O8P1	299.077003	NA	metacyc	NA	NA
+MJ026538	2'-C-Methyladenosine; 2-Chloro, 5'-deoxy 	C11H14ClN5O3	299.078517	NA	MeJP	NA	NA
+MJ026539	1,3,5,6-Tetrahydroxyacridone; 5,6-Methylene, 3,10-O,N-di-Me 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026540	1-Amino-4,5-dihydroxy-7-methoxy-2-methylanthraquinone 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026541	2-Amino-4-hydroxybenzoic acid; N-(4-Hydroxycinnamoyl) (E-) 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026542	2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxycinnamoyl)(E-) 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026543	2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxycinnamoyl)(Z-) 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026544	4-Methylbenzo[g]quinoline-5,10-dione; 7,8-Dimethoxy, 6-hydroxy 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026545	Bostrycoidin; 9-Me ether 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026546	Marcanine A; 11-Hydroxy, 3-methoxy, N-Me 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026547	Marcanine A; 9-Hydroxy, 3-methoxy, N-Me 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026548	Melicopine; O1-De-Me 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026549	Schumannificine; 7'-Deoxy, 3',7'-didehydro 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+MJ026550	Xanthevodine 	C16H13NO5	299.079372	NA	MeJP	NA	NA
+C08472	Avenanthramide A	C16H13NO5	299.0794	NA	KEGG	NA	NA
+MJ026551	Chlordiazepoxide 	C16H14ClN3O	299.082539	NA	MeJP	NA	NA
+HMDB02044	8-Hydroxyguanosine	C10H13N5O6	299.086578	NA	HMDB2010	NA	NA
+HMDB02044	8-Hydroxyguanosine	C10H13N5O6	299.08658	http://www.hmdb.ca/metabolites/HMDB02044	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02044	8-Hydroxyguanosine	C10H13N5O6	299.08658	http://www.hmdb.ca/metabolites/HMDB02044	HMDB	NA	NA
+HMDB02044	8-Hydroxyguanosine	C10H13N5O6	299.08658	http://www.hmdb.ca/metabolites/HMDB02044	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02044	8-Hydroxyguanosine	C10H13N5O6	299.08658	HMDB02044	PFEM_hmdb_metabocards_official	NA	NA
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	HMDB	NA	NA
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	Inhouse_PFEM	NA	NA
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.086585	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.0866	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.0866	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.0866	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR053	8-Hydroxyguanosine	C10H13N5O6	299.0866	Wishlist	Inhousejuil11	NA	NA
+EUR329	8-hydroxyguanosine F1	NA	299.087575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR329	8-hydroxyguanosine F1	NA	299.087575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR329	8-hydroxyguanosine F1	NA	299.087575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR329	8-hydroxyguanosine F1	NA	299.087575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+MJ026552	Aconiazide 	C15H13N3O4	299.090605	NA	MeJP	NA	NA
+MJ026553	5-Amino-N-[2-(2-chlorophenyl)ethyl]-N'-cyano-3-pyridinecarboximidamide 	C15H14ClN5	299.093773	NA	MeJP	NA	NA
+MJ026554	Imipenem 	C12H17N3O4S	299.093976	NA	MeJP	NA	NA
+C06665	Imipenem	C12H17N3O4S	299.094	NA	KEGG	NA	NA
+MJ026555	Mitoquidone 	C20H13NO2	299.094628	NA	MeJP	NA	NA
+MetaCyc02662	7-methylxanthosine []	C11H15N4O6	299.099159	NA	metacyc	NA	NA
+C16352	7-Methylxanthosine	C11H15N4O6	299.0992	NA	KEGG	NA	NA
+MJ026556	2-Aminobenzoic acid; ?-D-Glucopyranosyl ester 	C13H17NO7	299.100501	NA	MeJP	NA	NA
+MetaCyc02663	p-aminobenzoate-&beta;-D-glucopyranosyl ester [p-PAPA-Glc;]	C13H17N1O7	299.100502	NA	metacyc	NA	NA
+MJ026557	Iheyamine A 	C19H13N3O	299.105862	NA	MeJP	NA	NA
+C11593	E3040	C16H17N3OS	299.1092	NA	KEGG	NA	NA
+MJ026558	1-[4-(1H-Imidazol-1-yl)benzoyl]-N-methylcyclobutanecarbothioamide 	C16H17N3OS	299.109232	NA	MeJP	NA	NA
+MJ026559	6-Hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridinylmethyl)benzothiazole 	C16H17N3OS	299.109232	NA	MeJP	NA	NA
+MJ026560	1,2,3-Trihydroxyacridone; O,O,O,N-Tetra-Me 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026561	1,3,4-Trihydroxyacridone; O,O,O,N-Tetra-Me 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026562	1,3,5-Trihydroxyacridone; O,O,O,N-Tetra-Me 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026563	3,4-Dihydro-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone; 5-Deoxy 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026564	3-(4-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxy-2-(4-hydroxyphenyl)ethylamide 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026565	4-(2-Aminoethyl)phenol; N-(3,4-Dihydroxy-E-cinnamoyl) 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026566	4-(2-Aminoethyl)phenol; N-(3,4-Dihydroxy-Z-cinnamoyl) 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026567	Adnamine 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026568	Biflorine 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026569	Clivonidine 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026570	Demethylcephalotaxine, 3,4-Didehydro 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026571	Dopamine; N-(4-Hydroxycinnamoyl)(E-) 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026572	Erythrartine; 11-Ketone, O15,O16-di-de-Me 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026573	Flindersine; N-Acetoxymethyl 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026574	Geovanine 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026575	Hainanensine 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026576	Octopamine, N-(4-Hydroxy-E-cinnamoyl) 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026577	Octopamine, N-(4-Hydroxy-Z-cinnamoyl) 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026578	Oduline; 7-Ketone (lactone) 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026579	Salutaridine, N,O6-Di-de-Me 	C17H17NO4	299.115758	NA	MeJP	NA	NA
+MJ026580	Hydroxyluninium(1+), 1'-Deoxy, 1',2'-didehydro 	C17H18NO4(+)	299.115758	NA	MeJP	NA	NA
+MJ026581	Mooreine 	C17H18NO4(+)	299.115758	NA	MeJP	NA	NA
+C12330	2,3,9,10-Tetrahydroxyberbine	C17H17NO4	299.1158	NA	KEGG	NA	NA
+MJ026582	Lergotrile 	C17H18ClN3	299.118925	NA	MeJP	NA	NA
+MJ026583	Pentiapine 	C15H17N5S	299.120466	NA	MeJP	NA	NA
+PJ000206	GSH 	C11H17N5O5	299.123	NA	PeJP	NA	NA
+MJ026584	3-Amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]pyrazinecarboxamide 	C11H18ClN7O	299.126135	NA	MeJP	NA	NA
+MJ026585	Menitrazepam 	C16H17N3O3	299.126991	NA	MeJP	NA	NA
+MJ026586	Dibutylphosphinic acid; 4-Nitrophenyl ester 	C14H22NO4P	299.128644	NA	MeJP	NA	NA
+C13757	Saxitoxin	C10H17N7O4	299.1342	NA	KEGG	NA	NA
+MJ026587	Saxitoxin 	C10H17N7O4	299.134202	NA	MeJP	NA	NA
+MJ026588	Metoclopramide 	C14H22ClN3O2	299.140054	NA	MeJP	NA	NA
+C07868	Metoclopramide	C14H22ClN3O2	299.1401	NA	KEGG	NA	NA
+C07869	Transferred to D00727	C14H22ClN3O2	299.1401	NA	KEGG	NA	NA
+MJ026589	1-(2-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro 	C20H17N3	299.142247	NA	MeJP	NA	NA
+MJ026590	1-(5-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro 	C20H17N3	299.142247	NA	MeJP	NA	NA
+MJ026591	1-(6-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro 	C20H17N3	299.142247	NA	MeJP	NA	NA
+MJ026592	1-(8-Quinolinyl)-?-carboline; 1,2,3,4-Tetrahydro 	C20H17N3	299.142247	NA	MeJP	NA	NA
+MJ026593	Komavicine 	C20H17N3	299.142247	NA	MeJP	NA	NA
+MJ026594	Rouhamine 	C20H17N3	299.142247	NA	MeJP	NA	NA
+2893	neuropeptide from eyestalk of Macrobrachium rosenb	FMRF~	299.1467	MH2+	Inhouse_peptide	NA	peptide
+PJ000207	SPP 	C13H21N3O5	299.1481	NA	PeJP	NA	NA
+C05176	(S)-N-Methylcoclaurine	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C05243	(R)-N-Methylcoclaurine	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C06174	Codeine	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C08024	Hydrocodone	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C08025	Transferred to D00846	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C09594	Neopine	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C11779	Heterocodeine	C18H21NO3	299.1521	NA	KEGG	NA	NA
+C15366	Estrone 16-oxime	C18H21NO3	299.1521	NA	KEGG	NA	NA
+HMDB04995	Codeine	C18H21NO3	299.15213	http://www.hmdb.ca/metabolites/HMDB04995	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04995	Codeine	C18H21NO3	299.15213	http://www.hmdb.ca/metabolites/HMDB04995	HMDB	NA	NA
+HMDB04995	Codeine	C18H21NO3	299.15213	http://www.hmdb.ca/metabolites/HMDB04995	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04995	Codeine	C18H21NO3	299.15213	HMDB04995	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04995	Codeine	C18H21NO3	299.15213	NA	HMDB2010	NA	NA
+MJ026595	7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-(5_,6_)-morphinan-6-ol 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026596	(R)-N-Methylcoclaurine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026597	(S)-N-Methylcoclaurine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026598	1-[7-(3,4-Methylenedioxyphenyl)-2,6-heptadienoyl]pyrrolidine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026599	2,3-Dihydroxy-3-phenylpropanoic acid, 2-Phenylethylamide, N-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026600	2-(Dimethylamino)ethyl benzilate 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026601	3-Demethoxyerythratidinone 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026602	Anicanine, N-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026603	Anicanine, O6-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026604	Armepavine, N-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026605	Cocculitine; 2-Ketone 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026606	Codeine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026607	Crotsparinine; N-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026608	Erysotrine, O15-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026609	Erysotrine, O16-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026610	Erysotrine, O3-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026611	Erythramine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026612	Gorchacoine, N-De-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026613	Higenamine, O6,N-Di-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026614	Hydromorphone; Me ether 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026615	Isocrotsparinine; N-Me 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026616	Juziphine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026617	Linearisine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026618	Metopon 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026619	Morphine, 6-Me ether 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026620	Neflexine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026621	Neopine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026622	Nigrinodine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026623	Ornazidine; 3,4-Didehydro, di-Me ether 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026624	Pandamarilactone 32 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026625	Roemeramine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026626	Sendaverine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026627	Sternine 	C18H21NO3	299.152143	NA	MeJP	NA	NA
+MJ026628	Roserine 	C18H22NO3(+)	299.152143	NA	MeJP	NA	NA
+MetaCyc02664	S-N-methylcoclaurine [(S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol;]	C18H21N1O3	299.152144	07/02/3423	metacyc	NA	NA
+MetaCyc02665	R-N-methylcoclaurine [(R) -1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl) methyl ] -6-methoxy-2-methyl-7-isoquinolinol;]	C18H21N1O3	299.152144	5096-70-8	metacyc	NA	NA
+MetaCyc02666	codeine [7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-(5_,6_)-morphinan-6-ol;]	C18H21N1O3	299.152144	76-57-3	metacyc	NA	NA
+MJ026629	4-Methyl-2-[2-(4-morpholinyl)ethyl]-6-phenyl-3(2H)-pyridazinone 	C17H21N3O2	299.163376	NA	MeJP	NA	NA
+MJ026630	Cyclo(leucyltryptophanyl) 	C17H21N3O2	299.163376	NA	MeJP	NA	NA
+MJ026631	Nicogrelate 	C17H21N3O2	299.163376	NA	MeJP	NA	NA
+3507	ACE inhibitor (beta-LG fr, 78-80)	IPA	299.173	ACE inhibitor	Inhouse_peptide	NA	peptide
+3597	ACE inhibitor	AIP	299.173	ACE inhibitor	Inhouse_peptide	NA	peptide
+7570	ACE inhibitor from chicken muscle	LAP	299.173	antioxidative	Inhouse_peptide	NA	peptide
+7819	ACE inhibitor from wheat gliadin	IAP	299.173	antibacterial	Inhouse_peptide	NA	peptide
+8304	Dipeptidyl peptidase IV inhibitor	IPA	299.173	Medium chain acyl carnitines  ;SYN:Decanoylcarnitine; Decanoyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ026632	Amabiline; N-Oxide 	C15H25NO5	299.173272	NA	MeJP	NA	NA
+MJ026633	Echinatine 	C15H25NO5	299.173272	NA	MeJP	NA	NA
+MJ026634	Heliospathuline 	C15H25NO5	299.173272	NA	MeJP	NA	NA
+MJ026635	Indicine 	C15H25NO5	299.173272	NA	MeJP	NA	NA
+MJ026636	Intermedine 	C15H25NO5	299.173272	NA	MeJP	NA	NA
+C10326	Indicine	C15H25NO5	299.1733	NA	KEGG	NA	NA
+C10330	Intermedine	C15H25NO5	299.1733	NA	KEGG	NA	NA
+C10336	Isolycopsamine	C15H25NO5	299.1733	NA	KEGG	NA	NA
+C10347	Lycopsamine	C15H25NO5	299.1733	NA	KEGG	NA	NA
+C10378	Rinderine	C15H25NO5	299.1733	NA	KEGG	NA	NA
+41	Muscle	LAP	299.174	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000208	APL 	C14H25N3O4	299.1845	NA	PeJP	NA	NA
+C11795	Ethylketocyclazocine	C19H25NO2	299.1885	NA	KEGG	NA	NA
+MJ026637	12-(3-Pyridinyl)-2,4,6-dodecatrien-1-ol, Ac 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026638	12-(3-Pyridinyl)-4,6,11-dodecatrien-2-ol, Ac 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026639	12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol, Ac 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026640	12-(3-Pyridinyl)-5,8,10-dodecatrien-2-ol, Ac 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026641	2-Nonyl-4(1H)-quinolinone; 8'-Oxo, N-Me 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026642	2-Nonyl-4(1H)-quinolinone; OH-form, 8'-Oxo, Me ether 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026643	3-Methyl-2-(2-nonenyl)-4(1H)-quinolinone; NH-form, N-Hydroxy 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026644	Berlafenone 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026645	Buphenine 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026646	Ethylketazocine 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026647	Propinetidine 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026648	Proxorphan 	C19H25NO2	299.188529	NA	MeJP	NA	NA
+MJ026649	Enazadrem 	C18H25N3O	299.199762	NA	MeJP	NA	NA
+CJpos0708	Nonenoylcarnitine isomer [(M+H)]+	C16H30NO4	299.209075	C18rt(min)=7.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0709	Nonenoylcarnitine isomer [(M+H)]+	C16H30NO4	299.209075	C18rt(min)=7.9 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0708	Nonenoylcarnitine isomer [(M+H)]+	C16H30NO4	299.209075	C18rt(min)=7.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0709	Nonenoylcarnitine isomer [(M+H)]+	C16H30NO4	299.209075	C18rt(min)=7.9 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ026650	Curassavine 	C16H29NO4	299.209658	NA	MeJP	NA	NA
+MJ026651	2,6,8,12-Hexadecatetraen-10-ynoic acid, 2-Methylpropylamide 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026652	2-Undecyl-4(1H)-quinolinone 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026653	7-Hexadecen-10-ynoic acid, Pyrrolide 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026654	Azitine 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026655	Fischerellin B 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026656	Gemazocine 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026657	Ibazocine 	C20H29NO	299.224914	NA	MeJP	NA	NA
+MJ026658	Leptophyllin B 	C17H33NO3	299.246043	NA	MeJP	NA	NA
+MJ026659	3-Isocyano-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraene 	C21H33N	299.2613	NA	MeJP	NA	NA
+C00319	Sphingosine	C18H37NO2	299.2824	NA	KEGG	NA	NA
+C02934	3-Dehydrosphinganine	C18H37NO2	299.2824	NA	KEGG	NA	NA
+C16512	Palmitoylethanolamide	C18H37NO2	299.2824	NA	KEGG	NA	NA
+MJ026660	3-Dehydrosphinganine 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026661	Sphingosine 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026662	2-Amino-4-octadecene-1,3-diol 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026663	Cassine, 11'-Alcohol 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026664	Cassine, 6-Epimer, 11'-alcohol 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026665	Julifloridine 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026666	Palmidrol 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MJ026667	Prosafrine 	C18H37NO2	299.282429	NA	MeJP	NA	NA
+MetaCyc02667	3-dehydrosphinganine [3-dehydro-D-sphinganine;3-dehydrosphinganine;KDHS;]	C18H37N1O2	299.282429	NA	metacyc	NA	NA
+MetaCyc02668	sphingosine [Sphingenine;]	C18H37N1O2	299.282429	NA	metacyc	NA	NA
+HMDB00252	Sphingosine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB00252	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00252	Sphingosine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB00252	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02100	Palmitoylethanolamide	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB02100	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00252	Sphingosine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB00252	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00252	Sphingosine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB00252	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00252	Sphingosine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB00252	HMDB	NA	NA
+HMDB01480	3-Dehydrosphinganine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB01480	HMDB	NA	NA
+HMDB02100	Palmitoylethanolamide	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB02100	HMDB	NA	NA
+HMDB00252	Sphingosine	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB00252	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02100	Palmitoylethanolamide	C18H37NO2	299.28244	http://www.hmdb.ca/metabolites/HMDB02100	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00252	Sphingosine	C18H37NO2	299.28244	HMDB00252	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01480	3-Dehydrosphinganine	C18H37NO2	299.28244	HMDB01480	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02100	Palmitoylethanolamide	C18H37NO2	299.28244	HMDB02100	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00252	Sphingosine	C18H37NO2	299.28244	NA	HMDB2010	NA	NA
+HMDB01480	3-Dehydrosphinganine	C18H37NO2	299.28244	NA	HMDB2010	NA	NA
+HMDB02100	Palmitoylethanolamide	C18H37NO2	299.28244	NA	HMDB2010	NA	NA
+3090	gluten A5 exorphin	GYYPT	299.623	MH2+	Inhouse_peptide	NA	peptide
+3614	NA	RTPKV	299.681	MH2+	Inhouse_peptide	NA	peptide
+MJ026668	Aplysiapyranoid C 	C10H15BrCl2O	299.968333	NA	MeJP	NA	NA
+MJ026669	2-(4-Bromophenyl)-1,3-indanedione 	C15H9BrO2	299.978592	NA	MeJP	NA	NA
+MJ026670	5-Bromo-2-phenyl-1,3-indanedione 	C15H9BrO2	299.978592	NA	MeJP	NA	NA
+MJ026671	7-Bromo-3,4-dihydro-6,8-dihydroxy-3-propyl-1H-2-benzopyran-1-one 	C12H13BrO4	299.999721	NA	MeJP	NA	NA
+MJ026672	4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4,7-Bis(2-methylpropyl)-1,2,3,5,6-pentathiepane 	C10H20S5	300.016854	NA	MeJP	NA	NA
+C10394	Pseudopurpurin	C15H8O7	300.027	NA	KEGG	NA	NA
+FLIEACNS0001	Demethylwedelolactone;Norwedelolactone;Desmethylwedelolactone	C15H8O7	300.027	6468-55-9	knapsack	NA	NA
+MJ026673	1,3,4-Trihydroxyanthraquinone-2-carboxylic acid 	C15H8O7	300.027002	NA	MeJP	NA	NA
+MJ026674	1,3,8,9-Tetrahydroxycoumestan 	C15H8O7	300.027002	NA	MeJP	NA	NA
+MJ026675	2,4,8,9-Tetrahydroxycoumestan 	C15H8O7	300.027002	NA	MeJP	NA	NA
+MJ026676	4,5,7-Trihydroxyanthraquinone-2-carboxylic acid 	C15H8O7	300.027002	NA	MeJP	NA	NA
+MJ026677	8-Hydroxy-9-oxo-9H-xanthene-1,3-dicarboxylic acid 	C15H8O7	300.027002	NA	MeJP	NA	NA
+MJ026678	Sulfatrozole 	C10H12N4O3S2	300.035081	NA	MeJP	NA	NA
+C05640	Cinnavalininate	C14H8N2O6	300.0382	NA	KEGG	NA	NA
+MJ026679	Cinnabarine; 1''-Carboxylic acid 	C14H8N2O6	300.038235	NA	MeJP	NA	NA
+MJ026680	Nifuroquine 	C14H8N2O6	300.038235	NA	MeJP	NA	NA
+MJ026681	Cinnavalininate 	C14H8N2O6	300.038236	NA	MeJP	NA	NA
+HMDB04078	Cinnavalininate	C14H8N2O6	300.038239	NA	HMDB2010	NA	NA
+HMDB04078	Cinnavalininate	C14H8N2O6	300.03824	http://www.hmdb.ca/metabolites/HMDB04078	HMDB	NA	NA
+HMDB04078	Cinnavalininate	C14H8N2O6	300.03824	HMDB04078	PFEM_hmdb_metabocards_official	NA	NA
+MJ026682	3-(3-Chloro-1,2-dihydroxypropyl)-6,8-dihydroxy-1H-2-benzopyran-1-one; 6-Me ether 	C13H13ClO6	300.040065	NA	MeJP	NA	NA
+MJ026683	Phloroscorbinol 	C12H12O9	300.048131	NA	MeJP	NA	NA
+MJ026684	Sulazepam 	C16H13ClN2S	300.048796	NA	MeJP	NA	NA
+MetaCyc02669	polyprenylpyrophosphate [RPP;polyprenyl-PPi;]	C9H18O7P2	300.052776	NA	metacyc	NA	NA
+C07771	Tazobactam	C10H12N4O5S	300.0528	NA	KEGG	NA	NA
+C07772	Transferred to D00661	C10H12N4O5S	300.0528	NA	KEGG	NA	NA
+MJ026685	Tazobactam 	C10H12N4O5S	300.05284	NA	MeJP	NA	NA
+MJ026686	Itanoxone 	C17H13ClO3	300.055321	NA	MeJP	NA	NA
+JH206	Diosmetin [M+H]+	C16H12O6	300.0628	18.54	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH206	Diosmetin [M+H]+	C16H12O6	300.0628	18.54	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH206	Diosmetin [M+H]+	C16H12O6	300.0628	18.54	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH206	Diosmetin [M+H]+	C16H12O6	300.0628	18.54	Inhousejuil11	NA	NA
+FL1A3CNS0002	Leptosidin	C16H12O6	300.06338	486-214-8	knapsack	NA	NA
+FL1AACNM0001	4,6,3',4'-Tetrahydroxy-5-methylaurone	C16H12O6	300.06338	213979-96-5	knapsack	NA	NA
+FL1AACNM0002	4,6,3',4'-Tetrahydroxy-7-methylaurone	C16H12O6	300.06338	213979-97-6	knapsack	NA	NA
+FL1ABCNS0001	Rengasin	C16H12O6	300.06338	54826-89-0	knapsack	NA	NA
+FL1CPTNS0001	Peltochalcone	C16H12O6	300.06338	53766-30-6	knapsack	NA	NA
+FL1CPTNS0002	Mopachalcone	C16H12O6	300.06338	38279-57-1	knapsack	NA	NA
+FL1CQUNS0001	Pedicinin	C16H12O6	300.06338	08/02/5064	knapsack	NA	NA
+FL2FE8NS0004	5,2'-Dihydroxy-6,7-methylenedioxyflavanone	C16H12O6	300.06338	188440-65-5	knapsack	NA	NA
+FL3FA8NS0003	5,7,2'-Trihydroxy-6'-methoxyflavone	C16H12O6	300.06338	92519-94-3	knapsack	NA	NA
+FL3FA8NS0011	5,2',6'-Trihydroxy-7-methoxyflavone;2-(2,6-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C16H12O6	300.06338	393825-50-8	knapsack	NA	NA
+FL3FACNM0001	6-Methylluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methyl-4H-1-benzopyran-4-one	C16H12O6	300.06338	79339-18-7	knapsack	NA	NA
+FL3FADNS0001	Chrysoeriol	C16H12O6	300.06338	491-71-4	knapsack	NA	NA
+FL3FAENS0001	Diosmetin;5,7,3'-Trihydroxy-4'-methoxyflavone;4'-Methylluteolin	C16H12O6	300.06338	520-34-3	knapsack	NA	NA
+FL3FALNS0003	Artocarpetin	C16H12O6	300.06338	-	knapsack	NA	NA
+FL3FBCNS0001	Luteolin 5-methyl ether	C16H12O6	300.06338	58115-29-0	knapsack	NA	NA
+FL3FCCNS0001	Luteolin 7-methyl ether;5,3',4'-Trihydroxy-7-methoxyflavone;7-O-Methylluteolin;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C16H12O6	300.06338	20243-59-8	knapsack	NA	NA
+FL3FE8NS0001	5,7,2'-Trihydroxy-6-methoxyflavone	C16H12O6	300.06338	86926-51-4	knapsack	NA	NA
+FL3FEANS0001	Hispidulin	C16H12O6	300.06338	1447-88-7	knapsack	NA	NA
+FL3FEANS0003	Sorbifolin	C16H12O6	300.06338	23130-22-5	knapsack	NA	NA
+FL3FEANS0004	Scutellarein 4'-methyl ether	C16H12O6	300.06338	6563-66-2	knapsack	NA	NA
+FL3FF8NS0001	5,8,2'-Trihydroxy-7-methoxyflavone	C16H12O6	300.06338	77056-20-3	knapsack	NA	NA
+FL3FF8NS0002	Scutevulin	C16H12O6	300.06338	80713-32-2	knapsack	NA	NA
+FL3FFANS0002	Isocutellarein 7-methyl ether;5,8,4'-Trihydroxy-7-methoxyflavone	C16H12O6	300.06338	56595-23-4	knapsack	NA	NA
+FL3FFANS0003	Isoscutellarein 8-methyl ether;5,7,4'-Trihydroxy-8-methoxyflavone;4'-Hydroxywogonin;8-Methoxyapigenin	C16H12O6	300.06338	57096-02-3	knapsack	NA	NA
+FL3FFANS0004	Takakin;5,7,8-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O6	300.06338	51876-19-8	knapsack	NA	NA
+FL4DE9NS0002	3,5-Dihydroxy-6,7-methylenedioxyflavanone	C16H12O6	300.06338	110204-44-9	knapsack	NA	NA
+FL4DPTNS0001	Peltogynone	C16H12O6	300.06338	38279-52-6	knapsack	NA	NA
+FL4DPTNS0002	Mopanone	C16H12O6	300.06338	38279-43-5	knapsack	NA	NA
+FL5F1CNS0002	Fisetin 3-methyl ether	C16H12O6	300.06338	20870-06-8	knapsack	NA	NA
+FL5F1CNS0003	Geraldol	C16H12O6	300.06338	21511-25-1	knapsack	NA	NA
+FL5F1CNS0004	Fisetin 4'-methyl ether	C16H12O6	300.06338	57396-72-2	knapsack	NA	NA
+FL5F2ANS0002	6,7,4'-Trihydroxy-3-methoxyflavone;6,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C16H12O6	300.06338	159506-37-3	knapsack	NA	NA
+FL5F3ANS0002	7,8,4'-Trihydroxy-3-methoxyflavone	C16H12O6	300.06338	57499-05-5	knapsack	NA	NA
+FL5FA8NS0002	Datin	C16H12O6	300.06338	55051-98-4	knapsack	NA	NA
+FL5FA8NS0003	Ptaeroxylol	C16H12O6	300.06338	520-13-8	knapsack	NA	NA
+FL5FAANM0001	6-C-Methylkaempferol	C16H12O6	300.06338	-	knapsack	NA	NA
+FL5FAANM0002	8-C-Methylkaempferol	C16H12O6	300.06338	-	knapsack	NA	NA
+FL5FABNS0001	Kaempferide	C16H12O6	300.06338	491-54-3	knapsack	NA	NA
+FL5FBANS0001	Kaempferol 5-methyl ether	C16H12O6	300.06338	22044-80-0	knapsack	NA	NA
+FL5FCANS0001	Rhamnocitrin;3,4',5-Trihydroxy-7-methoxyflavone;7-Methylkaempferol;3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C16H12O6	300.06338	569-92-6	knapsack	NA	NA
+FL5FDANS0001	Isokaempferide;Kaempferol 3-methyl ether;5,7,4'-trihydroxy-3-methoxyflavone	C16H12O6	300.06338	1592-70-7	knapsack	NA	NA
+FL5FE9NM0001	Isoplatanin	C16H12O6	300.06338	114567-38-3	knapsack	NA	NA
+FL5FE9NS0002	Alnusin;3,5,7-Trihydroxy-6-methoxyflavone;6-Methoxygalangin;3,5,7-Trihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one	C16H12O6	300.06338	32483-97-9	knapsack	NA	NA
+FL5FF9NM0001	Platanin	C16H12O6	300.06338	114567-39-4	knapsack	NA	NA
+FL5FF9NS0002	8-Hydroxygalangin 3-methyl ether;5,7,8-Trihydroxy-3-methoxyflavone;5,7,8-Trihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one	C16H12O6	300.06338	33910-28-0	knapsack	NA	NA
+FL5FF9NS0003	8-Hydroxygalangin 7-methyl ether;3,5,8-Trihydroxy-7-methoxyflavone;3,5,8-Trihydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one	C16H12O6	300.06338	32484-00-7	knapsack	NA	NA
+FL5FF9NS0004	3,5,7-Trihydroxy-8-methoxyflavone;8-Methoxygalangin;8-Hydroxygalangin 8-methyl ether;3-Hydroxywogonin;3,5,7-Trihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one	C16H12O6	300.06338	5928-42-7	knapsack	NA	NA
+FLIA1GNS0002	Gliricidin	C16H12O6	300.06338	72061-64-4	knapsack	NA	NA
+FLIA1LNS0006	Koparin	C16H12O6	300.06338	65048-75-1	knapsack	NA	NA
+FLIA1LNS0012	7,2',4'-Trihydroxy-3'-methoxyisoflavone	C16H12O6	300.06338	90851-02-8	knapsack	NA	NA
+FLIA3CNS0006	7,8,3'-Trihydroxy-4'-methoxyisoflavone	C16H12O6	300.06338	117634-59-0	knapsack	NA	NA
+FLIA4ANS0002	7,8,4'-Trihydroxy-6-methoxyisoflavone	C16H12O6	300.06338	113762-90-6	knapsack	NA	NA
+FLIAADNS0001	3'-O-Methylorobol	C16H12O6	300.06338	36190-95-1	knapsack	NA	NA
+FLIAAENS0001	Pratensein;5,7,3'-Trihydroxy-4'-methoxyisoflavone	C16H12O6	300.06338	2284-31-3	knapsack	NA	NA
+FLIAALNS0001	Cajanin;5,2',4'-Trihydroxy-7-methoxyisoflavone	C16H12O6	300.06338	32884-36-9	knapsack	NA	NA
+FLIAALNS0003	2'-Hydroxybiochanin A	C16H12O6	300.06338	32884-35-8	knapsack	NA	NA
+FLIABCNS0001	Santal;5,3',4'-Trihydroxy-7-methoxyisoflavone	C16H12O6	300.06338	529-60-2	knapsack	NA	NA
+FLIAEANS0003	Tectorigenin;5,7,4'-Trihydroxy-6-methoxyisoflavone	C16H12O6	300.06338	548-77-6	knapsack	NA	NA
+FLIAFANS0001	Isotectorigenin;Pseudotectorigenin;5,7,4'-Trihydroxy-8-methoxyisoflavone	C16H12O6	300.06338	13111-57-4	knapsack	NA	NA
+FLIB1LNS0001	(3R)-Sophorol;(-)-Sophorol	C16H12O6	300.06338	-	knapsack	NA	NA
+FLIB1LNS0005	(+)-Sophorol;7,2'-Dihydroxy-4',5'-methylenedioxyisoflavanone	C16H12O6	300.06338	524-08-3	knapsack	NA	NA
+FLID2CNS0005	2-Hydroxymaackiain;2,3-Dihydroxy-8,9-methylenedioxypterocarpan	C16H12O6	300.06338	128585-10-4	knapsack	NA	NA
+FLID3CNS0001	4-Hydroxymaackiain;3,4-Dihydroxy-8,9-methylenedioxypterocarpan	C16H12O6	300.06338	69626-64-8	knapsack	NA	NA
+FLIDHXNS0008	6a-Hydroxymaackiain;6a-Hydroxyinermin;3,6a-Dihydroxy-8,9-methylenedioxypterocarpan	C16H12O6	300.06338	14602-93-8	knapsack	NA	NA
+FLII3CNS0001	Sophorafuran A;2-(2,4-Dihydroxy-3-methoxyphenyl)-5,6-methylenedioxybonzofuran	C16H12O6	300.06338	79295-81-1	knapsack	NA	NA
+FLNACCNS0001	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin	C16H12O6	300.06338	112078-72-5	knapsack	NA	NA
+FLNAFCNS0005	7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin	C16H12O6	300.06338	121880-19-1	knapsack	NA	NA
+MJ026687	5,7,4'-Trihydroxy-3'-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026688	3-Methoxyapigenin 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026689	1,2,3,4-Tetrahydroxyanthraquinone; 2,3-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026690	1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 2-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026691	1,2,3,5-Tetrahydroxyanthraquinone; 1,3-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026692	1,2,3,6-Tetrahydroxyanthraquinone; 1,3-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026693	1,2,3,7-Tetrahydroxyxanthone; 2,3-Methylene, 1,7-di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026694	1,2,3,8-Tetrahydroxy-6-methylanthraquinone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026695	1,2,3,8-Tetrahydroxyanthraquinone; 1,3-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026696	1,2,3,8-Tetrahydroxyanthraquinone; 2,3-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026697	1,2,3,8-Tetrahydroxyxanthone; 2,3-Methylene, 1,8-di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026698	1,2,4,5-Tetrahydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026699	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026700	1,2,4,5-Tetrahydroxyanthraquinone; 2,5-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026701	1,2,4,6-Tetrahydroxyanthraquinone; 2,4-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026702	1,2,4,8-Tetrahydroxy-5-methylanthraquinone; 2-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026703	1,2,4,8-Tetrahydroxy-6-methylanthraquinone; 1-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026704	1,2,4,8-Tetrahydroxy-6-methylanthraquinone; 2-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026705	1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026706	1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026707	1,3,4,5-Tetrahydroxy-2-methylanthraquinone; 4-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026708	1,3,5,6-Tetrahydroxy-2-methylanthraquinone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026709	1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 5-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026710	1,3,5-Trihydroxy-2-hydroxymethylanthraquinone; 1-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026711	1,3,6,7-Tetrahydroxy-2-methylanthraquinone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026712	1,3,6,7-Tetrahydroxyanthraquinone; 6,7-Di-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026713	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026714	1,3,6-Trihydroxy-2-hydroxymethylanthraquinone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026715	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 1-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026716	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026717	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 8-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026718	1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 5-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026719	1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026720	1,4,5,8-Tetrahydroxy-2,6-dimethylanthraquinone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026721	1,4,6,8-Tetrahydroxy-2-methylanthraquinone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026722	1,5,8-Trihydroxy-2-(hydroxymethyl)anthraquinone; 1-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026723	2',3',4',7-Tetrahydroxyisoflavone; 3'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026724	2',3',4',7-Tetrahydroxyisoflavone; 4'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026725	2',3,5,7-Tetrahydroxyflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026726	2',4',5',7-Tetrahydroxyisoflavanone; Opt. active-form, 4',5'-Methylene ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026727	2',4',5,7-Tetrahydroxyflavone; 2'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026728	2',4',5,7-Tetrahydroxyflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026729	2',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026730	2',4',5,7-Tetrahydroxyisoflavone; 5-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026731	2',4',5,7-Tetrahydroxyisoflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026732	2',5,6',7-Tetrahydroxyflavone; 2'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026733	2',5,6,7-Tetrahydroxyflavanone, 6,7-Methylene ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026734	2',5,6,7-Tetrahydroxyflavone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026735	2',5,6,7-Tetrahydroxyisoflavone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026736	2',5,7,8-Tetrahydroxyflavone; 8-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026737	2,3,8,9-Tetrahydroxypterocarpan; 8,9-Methylene ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026738	2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl), 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026739	2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Methoxyphenyl) 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026740	2,8-Dihydroxyxanthone-1-carboxylic acid; 2-Me ether, Me ester 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026741	2-(2,3-Dihydro-5-methyl-6-oxopyran-2-yl)-5,8-dihydroxy-1,4-naphthoquinone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026742	2-(2,4-Dihydroxyphenyl)-4,6-dihydroxy-3-benzofurancarboxaldehyde; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026743	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy, Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026744	3',4',5',7-Tetrahydroxyisoflavone; 4'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026745	3',4',5,7-Tetrahydroxy-6-methylflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026746	3',4',5,7-Tetrahydroxyisoflavone; 3'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026747	3',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026748	3',4',5,7-Tetrahydroxyisoflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026749	3',4',5-Trihydroxy-7-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026750	3',4',6,7-Tetrahydroxyaurone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026751	3',4',7,8-Tetrahydroxyisoflavone; 4'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026752	3',4',7-Trihydroxy-5-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026753	3',4,4',6-Tetrahydroxy-5-methylaurone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026754	3',4,4',6-Tetrahydroxy-7-methylaurone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026755	3',4,4',6-Tetrahydroxyaurone; 4-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026756	3',5,6,7-Tetrahydroxyflavone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026757	3',5,7-Trihydroxy-4'-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026758	3,3',4',7-Tetrahydroxyflavone; 3'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026759	3,3',4',7-Tetrahydroxyflavone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026760	3,3',4',7-Tetrahydroxyflavone; 4'-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026761	3,3',4',7-Tetrahydroxyflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026762	3,3',5,7-Tetrahydroxyflavone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026763	3,4',5-Trihydroxy-7-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026764	3,4',6,7-Tetrahydroxyflavone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026765	3,4',7,8-Tetrahydroxyflavone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026766	3,4',7-Trihydroxy-5-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026767	3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026768	3,5,6,7-Tetrahydroxy-8-methylflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026769	3,5,6,7-Tetrahydroxyflavone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026770	3,5,7,8-Tetrahydroxy-6-methylflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026771	3,5,7,8-Tetrahydroxyflavone; 3-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026772	3,5,7,8-Tetrahydroxyflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026773	3,5,7,8-Tetrahydroxyflavone; 8-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026774	3,5,7-Trihydroxy-4'-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026775	3,6a,8,9-Tetrahydroxypterocarpan, 8,9-Methylene ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026776	3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid; Me ester 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026777	4',5,6,7-Tetrahydroxyflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026778	4',5,6,7-Tetrahydroxyisoflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026779	4',5,7,8-Tetrahydroxyflavone; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026780	4',5,7,8-Tetrahydroxyflavone; 8-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026781	4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026782	4',5,7-Trihydroxy-3'-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026783	4',5,7-Trihydroxy-3-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026784	4',5,7-Trihydroxy-6-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026785	4',5,7-Trihydroxy-6-methoxyisoflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026786	4',6,7,8-Tetrahydroxyisoflavone; 6-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026787	4-(2,5-Dihydroxyphenyl)-5,7-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026788	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026789	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026790	4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 7-Me ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026791	5,6,7-Trihydroxy-4'-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026792	5,6-Dihydroxy-2-(2,3,4-trihydroxyphenyl)benzofuran; 3'-Me, 5,6-methylene ether 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026793	5,7,8-Trihydroxy-4'-methoxyflavone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026794	7-Hydroxy-9-methyl-6-oxo-6H-oxepino[2,3-b][1]benzopyran-5-carboxylic acid; Me ester 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026795	Caesalpin P 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026796	Isoshekkangenin 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026797	Kalafungin 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026798	Pedicinin 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026799	Peltochalcone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026800	Peltogynol, 4-Ketone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026801	Pinselic acid; Me ester 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026802	Protogenkwanin; 4'-Ketone 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026803	Salicyloylsalicylic acid; Ac 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026804	Sydowinin A 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026805	Yurinelide 	C16H12O6	300.063388	NA	MeJP	NA	NA
+MJ026806	3',4',5,6,7-Pentahydroxyflavylium(1+); 5-Me ether 	C16H13O6(+)	300.063388	NA	MeJP	NA	NA
+MJ026807	3,3',5,7-Tetrahydroxy-4'-methoxyflavylium(1+) 	C16H13O6(+)	300.063388	NA	MeJP	NA	NA
+MJ026808	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+) 	C16H13O6(+)	300.063388	NA	MeJP	NA	NA
+MetaCyc02670	(+)-6a-hydroxymaackiain []	C16H12O6	300.063388	NA	metacyc	NA	NA
+MetaCyc02671	(-)-sophorol []	C16H12O6	300.063388	NA	metacyc	NA	NA
+MetaCyc02672	pratensein [pratensin;3'-hydroxy-biochanin A;]	C16H12O6	300.063388	NA	metacyc	NA	NA
+MetaCyc02673	5,7,4'-trihydroxy-3'-methoxyflavone [3'-O-methylluteolin;chrysoeriol;]	C16H12O6	300.063388	NA	metacyc	NA	NA
+C04293	Chrysoeriol	C16H12O6	300.0634	NA	KEGG	NA	NA
+C05902	3-Methoxyapigenin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C08651	Leptosidin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C10038	Diosmetin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C10058	Hispidulin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C10098	Kaempferide	C16H12O6	300.0634	NA	KEGG	NA	NA
+C10203	Cajanin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C10520	Pratensein	C16H12O6	300.0634	NA	KEGG	NA	NA
+C10534	Tectorigenin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C12135	2'-Hydroxybiochanin A	C16H12O6	300.0634	NA	KEGG	NA	NA
+C16227	(+)-Sophorol	C16H12O6	300.0634	NA	KEGG	NA	NA
+C16228	(-)-Sophorol	C16H12O6	300.0634	NA	KEGG	NA	NA
+C16230	(+)-6a-Hydroxymaackiain	C16H12O6	300.0634	NA	KEGG	NA	NA
+C17059	Rhamnocitrin	C16H12O6	300.0634	NA	KEGG	NA	NA
+C17811	Questinol	C16H12O6	300.0634	NA	KEGG	NA	NA
+MJ026809	Clobazam 	C16H13ClN2O2	300.066555	NA	MeJP	NA	NA
+MJ026810	Oxazepam, N-Me 	C16H13ClN2O2	300.066555	NA	MeJP	NA	NA
+MJ026811	Tolnidamine 	C16H13ClN2O2	300.066555	NA	MeJP	NA	NA
+C11566	3-(4-Chloro-benzyl)-5-(2-methoxy-phenyl)-[1,2,4]oxadiazole	C16H13ClN2O2	300.0666	NA	KEGG	NA	NA
+MJ026812	2-Aminoquinoxaline; N-(4-Aminobenzenesulfonyl) 	C14H12N4O2S	300.068096	NA	MeJP	NA	NA
+MJ026813	3-Ribofuranosyluric acid; ?-D-form 	C10H12N4O7	300.070598	NA	MeJP	NA	NA
+MJ026814	9-Ribofuranosyluric acid; ?-D-form 	C10H12N4O7	300.070598	NA	MeJP	NA	NA
+MetaCyc02674	urate-3-ribonucleoside [urate-ribonucleoside;urate-D-ribonucleoside;urate 3-ribonucleoside;]	C10H12N4O7	300.070599	NA	metacyc	NA	NA
+C05513	Urate-3-ribonucleoside	C10H12N4O7	300.0706	NA	KEGG	NA	NA
+MJ026815	Majapolone 	C14H21BrO2	300.072492	NA	MeJP	NA	NA
+C13414	Sodium 3-ethyl-7-isopropyl-1-azulenesulfonate	C15H17O3S	300.0796	NA	KEGG	NA	NA
+C13415	n-Butyl-2-cyanoacrylate	C15H17O3S	300.0796	NA	KEGG	NA	NA
+C04812	1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol 4-phosphate	C7H17N4O7P	300.0835	NA	KEGG	NA	NA
+C11351	N1-Amidinostreptamine 6-phosphate	C7H17N4O7P	300.0835	NA	KEGG	NA	NA
+C03993	4-(beta-D-Glucosyloxy)benzoate	C13H16O8	300.0845	NA	KEGG	NA	NA
+MJ026816	2-Hydroxybenzoic acid; O-?-D-Glucopyranoside 	C13H16O8	300.084517	NA	MeJP	NA	NA
+MJ026817	3,4-Dihydroxybenzaldehyde; 4-O-?-D-Glucopyranoside 	C13H16O8	300.084517	NA	MeJP	NA	NA
+MJ026818	4-Hydroxybenzoic acid; O-?-D-Glucopyranoside 	C13H16O8	300.084517	NA	MeJP	NA	NA
+MJ026819	Fukiic acid, Di-Me ester 	C13H16O8	300.084517	NA	MeJP	NA	NA
+MetaCyc02675	4-(&beta;-D-glucosyloxy)benzoate []	C13H16O8	300.084517	NA	metacyc	NA	NA
+MJ026820	Boxazomycin A; 1''-Deoxy 	C14H12N4O4	300.085854	NA	MeJP	NA	NA
+MJ026821	Boxazomycin A; 5-Deoxy 	C14H12N4O4	300.085854	NA	MeJP	NA	NA
+CJneg0503	Phenylacetylglutamine [(M+Cl)]-	C13H16ClN2O4	300.088225	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0503	Phenylacetylglutamine [(M+Cl)]-	C13H16ClN2O4	300.088225	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ026822	Irloxacin 	C16H13FN2O3	300.09102	NA	MeJP	NA	NA
+MJ026823	Lomevactone 	C18H17ClO2	300.091707	NA	MeJP	NA	NA
+FL1C1CNS0006	2',4'-Dihydroxy-3,4-dimethoxychalcone	C17H16O5	300.09977	4315-88-2	knapsack	NA	NA
+FL1C3ANS0003	Kukulkanin A	C17H16O5	300.09977	124704-82-1	knapsack	NA	NA
+FL1C3ANS0004	Heliannone A;2',4-Dihydroxy-3',4'-dimethoxychalcone	C17H16O5	300.09977	193411-10-8	knapsack	NA	NA
+FL1CBANS0002	2',4'-Dihydroxy-4,6'-dimethoxychalcone	C17H16O5	300.09977	855740-21-5	knapsack	NA	NA
+FL1CCBNS0001	Gymnogrammene	C17H16O5	300.09977	20621-49-2	knapsack	NA	NA
+FL1CDANS0001	4,4'-Dihydroxy-2',6'-dimethoxychalcone	C17H16O5	300.09977	123316-64-3	knapsack	NA	NA
+FL1CDANS0002	Flavokawin C	C17H16O5	300.09977	37308-75-1	knapsack	NA	NA
+FL1CE9NS0001	Pashanone	C17H16O5	300.09977	42438-78-8	knapsack	NA	NA
+FL1CE9NS0002	2',4'-Dihydroxy-3',6'-dimethoxychalcone	C17H16O5	300.09977	54299-50-2	knapsack	NA	NA
+FL1CE9NS0003	2',3'-Dihydroxy-4',6'-dimethoxychalcone	C17H16O5	300.09977	54299-64-8	knapsack	NA	NA
+FL1CRTNS0005	2,4-Dihydroxy-6,4'-dimethoxychalcone	C17H16O5	300.09977	103461-95-6	knapsack	NA	NA
+FL1CUNNS0002	Methylliderone	C17H16O5	300.09977	3984-73-4	knapsack	NA	NA
+FL1DA9NM0003	3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone	C17H16O5	300.09977	133034-13-6	knapsack	NA	NA
+FL2FAANM0002	Farrerol	C17H16O5	300.09977	24211-30-1	knapsack	NA	NA
+FL2FABNM0002	5,7-Dihydroxy-4'-methoxy-8-methylflavanone	C17H16O5	300.09977	109248-40-0	knapsack	NA	NA
+FL2FBBNS0001	Tsugafolin	C17H16O5	300.09977	66568-97-6	knapsack	NA	NA
+FL2FCANM0002	(2R)-5,4'-Dihydroxy-7-methoxy-6-methylflavanone	C17H16O5	300.09977	206561-00-4	knapsack	NA	NA
+FL2FCANM0003	5,4'-Dihydroxy-7-methoxy-8-methylflavanone	C17H16O5	300.09977	329360-15-8	knapsack	NA	NA
+FL2FCBNS0001	Naringenin 7,4'-dimethyl ether	C17H16O5	300.09977	29424-96-2	knapsack	NA	NA
+FL2FDANS0001	Naringenin 5,7-dimethyl ether	C17H16O5	300.09977	72704-06-4	knapsack	NA	NA
+FL2FE9NS0003	Onysilin	C17H16O5	300.09977	73695-94-0	knapsack	NA	NA
+FL2FE9NS0004	6-Hydroxy-5,7-dimethoxyflavanone	C17H16O5	300.09977	75041-40-6	knapsack	NA	NA
+FL2FF9NS0003	5-Hydroxy-7,8-dimethoxyflavanone	C17H16O5	300.09977	113981-49-0	knapsack	NA	NA
+FL2FF9NS0004	8-Hydroxy-5,7-dimethoxyflavanone	C17H16O5	300.09977	75041-38-2	knapsack	NA	NA
+FL2FHYNM0001	2,5-Dihydroxy-7-methoxy-6-methylflavanone	C17H16O5	300.09977	186906-54-7	knapsack	NA	NA
+FL2FHYNM0002	2,5-Dihydroxy-7-methoxy-8-methylflavanone	C17H16O5	300.09977	186906-53-6	knapsack	NA	NA
+FL4DA9NS0005	(2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone;(2R,3R)-5,7-Di-O-methylpinobanksin	C17H16O5	300.09977	67335-36-8	knapsack	NA	NA
+FL4DA9NS0011	(2R,3S)-3-Hydroxy-5,7-dimethoxyflavanone;cis-3-Hydroxy-5,7-dimethoxyflavanone	C17H16O5	300.09977	693253-07-5	knapsack	NA	NA
+FL6F1LNS0001	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan	C17H16O5	300.09977	95587-89-6	knapsack	NA	NA
+FLIB1CNS0002	3'-Methoxydihydroformononetin;7-Hydroxy-3',4'-dimethoxyisoflavanone	C17H16O5	300.09977	83206-83-1	knapsack	NA	NA
+FLIB1LNS0004	Sativanone;7-Hydroxy-2',4'-dimethoxyisoflavanone	C17H16O5	300.09977	70561-31-8	knapsack	NA	NA
+FLIB1LNS0006	Isosativanone;2'-Hydroxy-7,4'-dimethoxyisoflavanone	C17H16O5	300.09977	82829-55-8	knapsack	NA	NA
+FLIC1LNS0009	Astraciceran;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavan	C17H16O5	300.09977	72026-91-6	knapsack	NA	NA
+FLICWXNS0005	2'-O-Methylsepiol;7,3'-Dihydroxy-2',4'-dimethoxyisoflavene	C17H16O5	300.09977	62078-14-2	knapsack	NA	NA
+FLICWXNS0006	Haginin A;7,4'-Dihydroxy-2',3'-dimethoxyisoflavene	C17H16O5	300.09977	74174-29-1	knapsack	NA	NA
+FLICWXNS0008	Odoriflavene;7,2'-Dihydroxy-3',4'-dimethoxyisoflav-3-ene	C17H16O5	300.09977	101153-41-7	knapsack	NA	NA
+FLICWXNS0009	7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene	C17H16O5	300.09977	124901-96-8	knapsack	NA	NA
+FLID1CNS0005	Methylnissolin;3-Hydroxy-9,10-dimethoxypterocarpan	C17H16O5	300.09977	73340-41-7	knapsack	NA	NA
+FLID1CNS0008	(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan	C17H16O5	300.09977	108335-31-5	knapsack	NA	NA
+FLID1LNS0004	Fruticarpin;7-Hydroxy-3,9-dimethoxypterocarpan	C17H16O5	300.09977	89647-66-5	knapsack	NA	NA
+FLID2ANS0001	(-)-Sparticarpin	C17H16O5	300.09977	73793-85-8	knapsack	NA	NA
+FLID2ANS0002	2-Methoxymedicarpin	C17H16O5	300.09977	56752-00-2	knapsack	NA	NA
+FLID3ANS0001	4-Hydroxyhomopterocarpin;Melilotocarpan A	C17H16O5	300.09977	61135-95-3	knapsack	NA	NA
+FLID3ANS0004	4-Methoxymedicarpin;3-Hydroxy-4,9-dimethoxypterocarpan	C17H16O5	300.09977	14756-82-2	knapsack	NA	NA
+FLIDHXNS0005	(-)-Variabilin;Homopisatin;6a-Hydroxy-3,9-dimethoxypterocarpan	C17H16O5	300.09977	3187-52-8	knapsack	NA	NA
+FLIDHYNS0003	Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan	C17H16O5	300.09977	104700-87-0	knapsack	NA	NA
+FLII1CNS0005	Methylsainfuran;2-(2',4'-Dimethoxyphenyl)-5-hydroxy-6-methoxybenzofuran	C17H16O5	300.09977	94190-37-1	knapsack	NA	NA
+FLND2CNS0001	(S)-3'-Hydroxy-4,4'-dimethoxydalbergione	C17H16O5	300.09977	41043-22-5	knapsack	NA	NA
+FLND4ANS0001	(R)-4'-Hydroxy-3,4-dimethoxydalbergione	C17H16O5	300.09977	69471-24-5	knapsack	NA	NA
+MJ026824	1,2,5,6,7-Phenanthrenepentol; 1,5,6-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026825	1,2,5,6,7-Phenanthrenepentol; 1,5,7-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026826	1,6,10-Trihydroxy-2,8,10-trimethyl-9(10H)-anthracenone; 1'-Hydroxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026827	1,7-Bis(hydroxymethyl)-3,6,9-phenanthrenetriol; 9-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026828	1-(2-Furanyl)-7-nonene-3,5-diyne-1,2-diol, Di-Ac 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026829	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3',4'-Di-Me, 3'',4''-methylene ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026830	1-Phenyl-3-(2,4,6-trihydroxy-3-methylphenyl)-1,3-propanedione; 7-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026831	1-Phenyl-3-(2,4,6-trihydroxy-5-methylphenyl)-1,3-propanedione; 7-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026832	2',3',4',6'-Tetrahydroxychalcone; 3',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026833	2',3',4',6'-Tetrahydroxychalcone; 3',6'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026834	2',3',4',6'-Tetrahydroxychalcone; 4',6'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026835	2',3',4',7-Tetrahydroxyisoflavene; 2',3'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026836	2',3',4',7-Tetrahydroxyisoflavene; 2',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026837	2',3',4',7-Tetrahydroxyisoflavene; 3',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026838	2',3',4,4'-Tetrahydroxychalcone, 3',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026839	2',3',4,4'-Tetrahydroxychalcone, 3',4-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026840	2',3,4,4'-Tetrahydroxychalcone; 3,4-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026841	2',4',5',7-Tetrahydroxyflavan, 7-Me, 4',5'-methylene ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026842	2',4',5',7-Tetrahydroxyisoflavan, 2'-Me, 4',5'-methylene ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026843	2',4',7,8-Tetrahydroxyisoflavene; 4',8-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026844	2',4',7-Trihydroxyisoflavanone, 2',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026845	2',4',7-Trihydroxyisoflavanone, 4',7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026846	2',4,4',6'-Tetrahydroxychalcone; 2',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026847	2',4,4',6'-Tetrahydroxychalcone; 2',4-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026848	2',4,4',6'-Tetrahydroxychalcone; 2',6'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026849	2',4,4',6'-Tetrahydroxychalcone; 4,4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026850	2',5,7-Trihydroxy-6,8-dimethylflavanone 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026851	2,3,4,5,9-Phenanthrenepentol; 3,4,9-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026852	2,3,4,6,7-Phenanthrenepentol; 2,3,6-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026853	2,3,4,6,7-Phenanthrenepentol; 2,4,6-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026854	2,3,4,6,7-Phenanthrenepentol; 2,4,7-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026855	2,3,4,6,7-Phenanthrenepentol; 3,4,6-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026856	2,3,4,6,7-Phenanthrenepentol; 3,4,7-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026857	2,3,4,7,9-Phenanthrenepentol; 3,4,9-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026858	2,3,9-Trihydroxypterocarpan; 2,3-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026859	2,3,9-Trihydroxypterocarpan; 2,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026860	2,3-Epoxy-3-prenyl-1,4-naphthoquinone-2-carboxylic acid; Me ester 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026861	2,4,4',6-Tetrahydroxychalcone, 4',6-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026862	2,4,5,9,10-Phenanthrenepentol; 4,9,10-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026863	2,4,6-Trihydroxy-3-methyl-5-(1-oxo-3-phenylpropyl)benzaldehyde 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026864	2-(2,4-Dihydroxyphenyl)-5,6-dihydroxybenzofuran; 2',4',6-Tri-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026865	3',4',7-Trihydroxyisoflavanone, 3',4'-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026866	3,4,9-Trihydroxypterocarpan; 3,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026867	3,4,9-Trihydroxypterocarpan; 4,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026868	3,4-Dihydro-5,7-dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one, 4',7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026869	3,4-Dimethoxydalbergione, 4'-Hydroxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026870	3,5,7-Trihydroxyflavanone, 5,7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026871	3,6,9-Trihydroxypterocarpan, 6,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026872	3,6a,9-Trihydroxypterocarpan; 3,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026873	3,7,9-Trihydroxypterocarpan, 3,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026874	3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; 7-Me ether, Me ester 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026875	3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026876	3,8,9-Trihydroxypterocarpan; 3,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026877	3,8,9-Trihydroxypterocarpan; 8,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026878	3,9,10-Trihydroxypterocarpan, 3,9-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026879	3,9,10-Trihydroxypterocarpan, 9,10-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026880	3-Hydroxydehydroiso-?-lapachone, 6-Methoxy, Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026881	4',5,7-Trihydroxy-6,8-dimethylflavanone 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026882	4',5,7-Trihydroxy-6-methylflavanone, 7-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026883	4',5,7-Trihydroxy-8-methylflavanone, 4'-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026884	4',5,7-Trihydroxy-8-methylflavanone, 7-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026885	4',5,7-Trihydroxy-8-methylisoflavanone; 4'-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026886	4',5,7-Trihydroxyflavanone, 4',5-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026887	4',5,7-Trihydroxyflavanone, 4',7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026888	4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026889	4',7,8-Trihydroxyflavanone, 7,8-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026890	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-O-(3-Methyl-2-butenyl), 9-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026891	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 9-O-(1,1-Dimethyl-2-propenyl), 4-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026892	4-Methoxydalbergione, 3'-Hydroxy, 4'-methoxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026893	5,6,7-Trihydroxyflavanone, 5,7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026894	5,6,7-Trihydroxyflavanone, 6,7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026895	5,6-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 5-Me ether, 6-O-(3-methyl-2-butenyl) 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026896	5,7,8-Trihydroxyflavanone, 7,8-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026897	5,7,8-Trihydroxyflavanone, 5,7-Di-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026898	5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4'-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026899	5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 5-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026900	6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 4'-Hydroxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026901	8-(2-Acetoxy-3-methyl-1,3-butadienyl)-7-methoxy-2H-1-benzopyran-2-one 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026902	8-Methyltoralactone; 10-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026903	Alloimperatorin; 2',3'-Epoxide, Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026904	Alloisoimperatorin; 2',3'-Epoxide, Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026905	Alloisoimperatorin; ?1'-Isomer, 3'-hydroxy, 5-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026906	Asperxanthone; 5-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026907	Brazilin, 3'-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026908	Comaparvin 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026909	Dehydroiso-?-lapachone, 5,6-Dimethoxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026910	Flavidin; 1,3-Dimethoxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026911	Flavidin; 8-Methoxy, 6-hydroxy, 7-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026912	Frutescin; 1'-Acetoxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026913	Methyllinderone 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026914	Mollugin; 3-Hydroxy 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026915	Ophiopogonone B; 2,3-Dihydro, 4'-O-de-Me 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026916	Phellopterin 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MJ026917	Phyllodulcin, 3'-Me ether 	C17H16O5	300.099773	NA	MeJP	NA	NA
+MetaCyc02676	flavokawin []	C17H16O5	300.099774	NA	metacyc	NA	NA
+C09734	Farrerol	C17H16O5	300.0998	NA	KEGG	NA	NA
+C10251	Coelogin	C17H16O5	300.0998	NA	KEGG	NA	NA
+C10461	4-Hydroxyhomopterocarpin	C17H16O5	300.0998	NA	KEGG	NA	NA
+C10531	(-)-Sparticarpin	C17H16O5	300.0998	NA	KEGG	NA	NA
+C10539	(-)-Variabilin	C17H16O5	300.0998	NA	KEGG	NA	NA
+C17047	Phellopterin	C17H16O5	300.0998	NA	KEGG	NA	NA
+C17416	Astrapterocarpan	C17H16O5	300.0998	NA	KEGG	NA	NA
+C17503	Cnidilin	C17H16O5	300.0998	NA	KEGG	NA	NA
+MJ026918	Etifoxin 	C17H17ClN2O	300.10294	NA	MeJP	NA	NA
+CJneg0504	Pentose [(2M-H)]-	C10H19O10	300.106225	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0504	Pentose [(2M-H)]-	C10H19O10	300.106225	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ026919	-Bromo-4(15)-eudesmen-11-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026920	#NOM?	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026921	1-Bromo-3-eudesmen-6-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026922	1-Bromo-4(15)-eudesmen-11-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026923	1-Bromo-4(15)-eudesmen-6-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026924	1-Bromo-7-eudesmen-4-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026925	2-Bromo-11-eudesmen-5-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026926	2-Bromo-6-eudesmen-5-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026927	3-Bromo-11-eudesmen-5-ol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026928	7-Acetyl-4-bromo-1-isopropyl-3a-methylindane 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026929	?-Snyderol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026930	Caparrapioxide; 9-Epimer, 2?-bromo 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026931	Neomeranol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+MJ026932	Oppositol 	C15H25BrO	300.108878	NA	MeJP	NA	NA
+C13705	5-Nitro-2-(3-phenylpropylamino)benzoic acid	C16H16N2O4	300.111	NA	KEGG	NA	NA
+MJ026933	1-(?-Carbolin-1-yl)-3,4,5-trihydroxy-1-pentanone 	C16H16N2O4	300.111007	NA	MeJP	NA	NA
+MJ026934	2,5-Diamino-3-methoxy-6-(3-phenylpropanoyl)-1,4-benzoquinone 	C16H16N2O4	300.111007	NA	MeJP	NA	NA
+MJ026935	5-Nitro-2-[(3-phenylpropyl)amino]benzoic acid 	C16H16N2O4	300.111007	NA	MeJP	NA	NA
+MJ026936	7-Amino-1-hydroxymethyl-6-methyl-5,8-isoquinolinedione; O-Angeloyl 	C16H16N2O4	300.111007	NA	MeJP	NA	NA
+MJ026937	Pyridindolol, 16-Ac 	C16H16N2O4	300.111007	NA	MeJP	NA	NA
+MJ026938	Vertilecanine A, Glycine amide, Me ester 	C16H16N2O4	300.111007	NA	MeJP	NA	NA
+MJ026939	Illicinone E; 2?,3-Dihydro, 12-deoxy, 12-chloro 	C15H21ClO4	300.112836	NA	MeJP	NA	NA
+C06046	Salidroside	C14H20O7	300.1209	NA	KEGG	NA	NA
+MJ026940	2-(2-Hydroxyphenyl)ethanol; O-?-D-Glucopyranoside 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026941	2-(4-Hydroxyphenyl)ethanol; 1-O-?-D-Glucopyranoside 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026942	2-(4-Hydroxyphenyl)ethanol; 4'-O-?-D-Glucopyranoside 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026943	4-Hydroxybenzyl alcohol; 4-Me ether, O-?-D-glucopyranoside 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026944	Grahamimycin B 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026945	Salicin; 1''-Me ether 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026946	Synparvolide C 	C14H20O7	300.120902	NA	MeJP	NA	NA
+MJ026947	Melquinast 	C15H16N4O3	300.12224	NA	MeJP	NA	NA
+MJ026948	4-Amino-5-chloro-2-hydroxybenzoic acid; Me ether, 2-(diethylamino)ethyl ester 	C14H21ClN2O3	300.12407	NA	MeJP	NA	NA
+MJ026949	Actinobolin 	C13H20N2O6	300.132136	NA	MeJP	NA	NA
+FL1DA9NM0002	2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone	C18H20O4	300.13615	65349-37-3	knapsack	NA	NA
+FL1DA9NM0004	Myrigalon B	C18H20O4	300.13615	34328-55-7	knapsack	NA	NA
+FL1DA9NM0005	Angoletin	C18H20O4	300.13615	76444-55-8	knapsack	NA	NA
+FL1DQUNM0001	2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione	C18H20O4	300.13615	34328-57-9	knapsack	NA	NA
+FL6FDANM0001	4'-Hydroxy-5,7-dimethoxy-8-methylflavan	C18H20O4	300.13615	-	knapsack	NA	NA
+FL6FDBNS0001	5,7,4'-Trimethoxyflavan	C18H20O4	300.13615	4225-32-5	knapsack	NA	NA
+FLNC28NS0002	5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol	C18H20O4	300.13615	18525-14-9	knapsack	NA	NA
+MJ026950	1-(2,6-Dihydroxyphenyl)-5-phenyl-1-pentanone; 4'-Methoxy 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026951	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, Tetra-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026952	1-(4-Hydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, Tetra-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026953	17,18-Dihydroxy-9,11,13,15-octadecatetraynoic acid 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026954	2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026955	2,3,4,7-Phenanthrenetetrol; 9,10-Dihydro, tetra-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026956	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026957	3,4,4'-Trihydroxy-7,7'-epoxylignan 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026958	3-Phenyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 4'-Me ester 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026959	3-Phenyl-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 6'-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026960	3-Phenyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4',6'-Di-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026961	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; Tri-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026962	4',5,7-Trihydroxy-8-methylflavan, 5,7-Di-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026963	4',5,7-Trihydroxyflavan, Tri-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026964	4',5,7-Trihydroxyhomoisoflavan; 5,7-Di-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026965	4,6,12-Tetradecatriene-8,10-diyne-1,3-diol, Di-Ac 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026966	5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 1''-Oxo 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026967	6-Acetyl-2,3-dihydro-2,2-dimethyl-8-(3-methyl-1-oxobutenyl)-4H-benzopyran-4-one 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026968	6-Tetradecene-8,10,12-triyne-1,5-diol, Di-Ac 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026969	7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol, 3-Methylbutanoyl 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026970	Bitalin A, O-Angeloyl 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026971	Dalbergiphenol, 3'-Hydroxy, 5-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026972	Demethylcacalohastine; 3?-Acetoxy, Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026973	Domohinone 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026974	Latifolin, 5-Me ether 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026975	Leysseral; Angeloyl 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026976	Magnolignan B; 4',7-Dideoxy, 6'-hydroxy 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026977	Magnolignan B; 7-Deoxy 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026978	Mycosinol; 4-Deoxy, 2,3-dihydro, 2-(3-methylbutanoyloxy) 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026979	Octandrenolone 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026980	Thujin 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026981	Tricholomenyne A 	C18H20O4	300.136159	NA	MeJP	NA	NA
+MJ026982	Villostyrene 	C18H20O4	300.136159	NA	MeJP	NA	NA
+C08981	Toxyl angelate	C18H20O4	300.1362	NA	KEGG	NA	NA
+C14739	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol	C18H20O4	300.1362	NA	KEGG	NA	NA
+MJ026983	Chlorcyclizine 	C18H21ClN2	300.139326	NA	MeJP	NA	NA
+MJ026984	Clomacran 	C18H21ClN2	300.139326	NA	MeJP	NA	NA
+MJ026985	Nelezaprine 	C18H21ClN2	300.139326	NA	MeJP	NA	NA
+MJ026986	Sulfoorientalol C 	C15H24O4S	300.139529	NA	MeJP	NA	NA
+PJ000209	GPQ 	C12H20N4O5	300.1434	NA	PeJP	NA	NA
+MJ026987	N,N'-Bis(3-methoxybenzyl)urea 	C17H20N2O3	300.147392	NA	MeJP	NA	NA
+MJ026988	N,N'-Dibenzylurea; 4'',4'''-Dimethoxy 	C17H20N2O3	300.147392	NA	MeJP	NA	NA
+MJ026989	Phlegmariurine M 	C17H20N2O3	300.147392	NA	MeJP	NA	NA
+MJ026990	Salacin 	C17H20N2O3	300.147392	NA	MeJP	NA	NA
+C15179	1,1-Diphenyl-2-(4-methoxyphenyl)propene	C22H20O	300.1514	NA	KEGG	NA	NA
+MJ026991	3,4-Dihydroxy-1,7-dioxaspiro[4.4]nonan-8-one; 4-Octanoyl 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026992	4,5-Bis(hydroxymethyl)-2-methyl-1,3-benzenediol; O3-Me, O1-(2,3-dihydroxy-3-methylbutyl) 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026993	4-(1,2,3-Trihydroxypropyl)-2(5H)-furanone; 3'-Octanoyl 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026994	Cycloparvifloralone 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026995	Debenzoyltashironin; 2?-Hydroxy, 8-alcohol 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026996	Floridanolide; 4?,14-Dihydroxy, 10-deoxy 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026997	Syringolide 2 	C15H24O6	300.157288	NA	MeJP	NA	NA
+MJ026998	Azapropazone 	C16H20N4O2	300.158625	NA	MeJP	NA	NA
+3506	ACE inhibitor	GKP	300.167	ACE inhibitor	Inhouse_peptide	NA	peptide
+C02197	Testolactone	C19H24O3	300.1725	NA	KEGG	NA	NA
+C05285	Adrenosterone	C19H24O3	300.1725	NA	KEGG	NA	NA
+C05297	19-Oxoandrost-4-ene-3,17-dione	C19H24O3	300.1725	NA	KEGG	NA	NA
+C05299	2-Methoxyestrone	C19H24O3	300.1725	NA	KEGG	NA	NA
+C14587	11alpha-Hydroxyandrosta-1,4-diene-3,17-dione	C19H24O3	300.1725	NA	KEGG	NA	NA
+C14909	9alpha-Hydroxyandrosta-1,4-diene-3,17-dione	C19H24O3	300.1725	NA	KEGG	NA	NA
+C15150	14-Hydroxyandrosta-1,4-diene-3,17-dione	C19H24O3	300.1725	NA	KEGG	NA	NA
+C15200	9beta,11beta-Epoxyandrost-4-ene-3,17-dione	C19H24O3	300.1725	NA	KEGG	NA	NA
+C15295	17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one	C19H24O3	300.1725	NA	KEGG	NA	NA
+C15386	D-Homo-17a-oxaandrosta-4,6-diene-3,17-dione	C19H24O3	300.1725	NA	KEGG	NA	NA
+C15406	5alpha-Androst-1-ene-3,11,17-trione	C19H24O3	300.1725	NA	KEGG	NA	NA
+MJ026999	19-Oxoandrost-4-ene-3,17-dione 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027000	3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027001	2-Methoxyestrone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027002	Adrenosterone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027003	1,4-Epoxy-p-menthan-2-ol, Cinnamoyl 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027004	1,7-Diphenyl-1,3,5-heptanetriol 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027005	1,9,16-Heptadecatriene-4,6-diyn-3-ol, 9,10-Epoxide, Ac 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027006	1,9,16-Heptadecatriene-4,6-diyne-3,8-diol, 8-Ac 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027007	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 3-Ketone, 8-Ac 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027008	11,12-Dihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027009	11-Hydroxyandrosta-1,4-diene-3,17-dione; 11?-form 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027010	12-Hydroxyandrosta-1,4-diene-3,17-dione; 12?-form 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027011	14-Hydroxy-5,10,12-tetradecatrien-8-ynal, Angeloyl 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027012	16-Nor-15-oxo-7,13-abietadien-19,6-olide 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027013	16-Nor-15-oxo-8,11,13-abietatrien-19-oic acid 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027014	17-Nor-15-oxo-8,11,13-abietatrien-18-oic acid 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027015	19-Nor-1,3,5(10),15-rosatetraene-2,18-diol; ent-form, 18-Carboxylic acid 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027016	2,4,4'-Trihydroxylignan; 2-Me ether 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027017	2,6-Dihydroxy-19-nor-1,4,15-beyeratrien-3-one 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027018	2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 1-Ac 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027019	2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, 14-Ac 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027020	2,9,16-Heptadecatriene-4,6-diyne-1,11-diol, 1-Ac 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027021	2-(3-Methyl-2-butenyl)-5-(2-phenylethyl)-1,3-benzenediol; 2'',3''-Dihydro, 3''-hydroxy 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027022	2-Bornanol, O-(4-Hydroxycinnamoyl)(E-) 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027023	2-Bornanol, O-(4-Hydroxycinnamoyl)(Z-) 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027024	2-Hydroxyandrosta-1,4-diene-3,16-dione 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027025	3-Hydroxy-19-nor-3,13(16),14-spongiatrien-2-one 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027026	4-Hydroxy-3,5-diprenylcinnamic acid 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027027	6-Hydroxyandrosta-1,4-diene-3,17-dione 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027028	Acalycixeniolide B; 6?,7?-Epoxide, 10,11E-didehydro 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027029	Androst-4-ene-3,11,17-trione 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027030	Auroglaucin; 1',2'-Dihydro 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027031	Auroglaucin; 5',6'-Dihydro 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027032	Calelepin; O-(3-Methyl-2-butenoyl) 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027033	Centrolobol 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027034	Dichroanone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027035	Faveline; 4?,5?-Epoxide, Me ether 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027036	Favelol 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027037	Furanoeremophil-1(10)-en-6-ol, 6-(2-Methylpropenoyl) 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027038	Margolone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027039	Miltipolone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027040	Nimbosodione 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027041	Testolactone 	C19H24O3	300.172544	NA	MeJP	NA	NA
+MJ027042	p-Menth-1-ene-8,9-diol, 9-Cinnamoyl 	C19H24O3	300.172544	NA	MeJP	NA	NA
+HMDB00010	2-Methoxyestrone	C19H24O3	300.172546	NA	HMDB2010	NA	NA
+HMDB06768	19-Oxoandrost-4-ene-3,17-dione	C19H24O3	300.172546	NA	HMDB2010	NA	NA
+HMDB06772	Adrenosterone	C19H24O3	300.172546	NA	HMDB2010	NA	NA
+HMDB11195	2-Hydroxy-3-methoxyestrone	C19H24O3	300.172546	NA	HMDB2010	NA	NA
+HMDB00010	2-Methoxyestrone	C19H24O3	300.17255	http://www.hmdb.ca/metabolites/HMDB00010	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00010	2-Methoxyestrone	C19H24O3	300.17255	http://www.hmdb.ca/metabolites/HMDB00010	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00010	2-Methoxyestrone	C19H24O3	300.17255	http://www.hmdb.ca/metabolites/HMDB00010	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00010	2-Methoxyestrone	C19H24O3	300.17255	http://www.hmdb.ca/metabolites/HMDB00010	HMDB	NA	NA
+HMDB06768	 19-Oxoandrost-4-ene-3,17-dione	C19H24O3	300.17255	http://www.hmdb.ca/metabolites/HMDB06768	HMDB	NA	NA
+HMDB06772	 Adrenosterone	C19H24O3	300.17255	http://www.hmdb.ca/metabolites/HMDB06772	HMDB	NA	NA
+HMDB00010	2-Methoxyestrone	C19H24O3	300.17255	HMDB00010	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06768	 19-Oxoandrost-4-ene-3,17-dione	C19H24O3	300.17255	HMDB06768	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06772	 Adrenosterone	C19H24O3	300.17255	HMDB06772	PFEM_hmdb_metabocards_official	NA	NA
+MJ027043	4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 	C17H21FN4	300.175024	NA	MeJP	NA	NA
+PJ000210	GPK 	C13H24N4O4	300.1798	NA	PeJP	NA	NA
+MJ027044	1,4-Butanediamine; N-Cinnamoyl(E-), N'-tigloyl 	C18H24N2O2	300.183778	NA	MeJP	NA	NA
+MJ027045	Nupharine 	C18H24N2O2	300.183778	NA	MeJP	NA	NA
+MJ027046	Odorine 	C18H24N2O2	300.183778	NA	MeJP	NA	NA
+MJ027047	Achaetolide 	C16H28O5	300.193674	NA	MeJP	NA	NA
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR403	Acide retinoique F1	NA	300.207075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR403	Acide retinoique F1	NA	300.207075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR403	Acide retinoique F1	NA	300.207075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR403	Acide retinoique F1	NA	300.207075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR403	Retinoic acid F1	C20H28O1	300.207075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR084	Retinoic acid	C20H28O2	300.2089	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR084	Retinoic acid	C20H28O2	300.2089	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR084	Retinoic acid	C20H28O2	300.2089	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR084	Retinoic acid	C20H28O2	300.2089	Wishlist	Inhousejuil11	NA	NA
+C00777	Retinoate	C20H28O2	300.2089	NA	KEGG	NA	NA
+C00778	Rhodopsin	C20H28R	300.2089	NA	KEGG	NA	NA
+C09188	Spruceanol	C20H28O2	300.2089	NA	KEGG	NA	NA
+C12078	Dehydroabietic acid	C20H28O2	300.2089	NA	KEGG	NA	NA
+C14489	19-Norprogesterone	C20H28O2	300.2089	NA	KEGG	NA	NA
+C14652	19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol	C20H28O2	300.2089	NA	KEGG	NA	NA
+C14684	17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one	C20H28O2	300.2089	NA	KEGG	NA	NA
+C14925	17beta-Hydroxy-2-methylandrost-1,4-dien-3-one	C20H28O2	300.2089	NA	KEGG	NA	NA
+C15263	A-Norpregn-3(5)-ene-2,20-dione	C20H28O2	300.2089	NA	KEGG	NA	NA
+C15307	17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one	C20H28O2	300.2089	NA	KEGG	NA	NA
+C15353	17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one	C20H28O2	300.2089	NA	KEGG	NA	NA
+C15493	9-cis-Retinoic acid	C20H28O2	300.2089	NA	KEGG	NA	NA
+C16683	4-Oxoretinol	C20H28O2	300.2089	NA	KEGG	NA	NA
+C16684	N-Acetoxyarylamine	C20H28O2	300.2089	NA	KEGG	NA	NA
+C16685	N-Hydroxyarylamine	C20H28O2	300.2089	NA	KEGG	NA	NA
+C16687	Phosphomannan mannosephosphate	C12H23O14P	300.2089	NA	KEGG	NA	NA
+C18195	11-cis-3-Hydroxyretinal	C20H28O2	300.2089	NA	KEGG	NA	NA
+C18196	all-trans-3-Hydroxyretinal	C20H28O2	300.2089	NA	KEGG	NA	NA
+C18197	Oxyntomodulin	C20H28O2	300.2089	NA	KEGG	NA	NA
+C18198	Proadrenomedullin N-terminal 20 peptide	C20H28O2	300.2089	NA	KEGG	NA	NA
+C18199	Cathelicidin	C20H28O2	300.2089	NA	KEGG	NA	NA
+C18200	Erythropoietin	C20H28O2	300.2089	NA	KEGG	NA	NA
+C18201	Prolactin	C20H28O2	300.2089	NA	KEGG	NA	NA
+HMDB02369	9-cis-Retinoic acid	C20H28O2	300.20892	http://www.hmdb.ca/metabolites/HMDB02369	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06219	13-cis-Retinoic acid	C20H28O2	300.20892	http://www.hmdb.ca/metabolites/HMDB06219	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02369	9-cis-Retinoic acid	C20H28O2	300.20892	http://www.hmdb.ca/metabolites/HMDB02369	HMDB	NA	NA
+HMDB06219	13-cis-Retinoic acid	C20H28O2	300.20892	http://www.hmdb.ca/metabolites/HMDB06219	HMDB	NA	NA
+HMDB02369	9-cis-Retinoic acid	C20H28O2	300.20892	http://www.hmdb.ca/metabolites/HMDB02369	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06219	13-cis-Retinoic acid	C20H28O2	300.20892	http://www.hmdb.ca/metabolites/HMDB06219	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02369	9-cis-Retinoic acid	C20H28O2	300.20892	HMDB02369	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06219	13-cis-Retinoic acid	C20H28O2	300.20892	HMDB06219	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01852	Retinoic acid	C20H28O2	300.208923	NA	HMDB2010	NA	NA
+HMDB02369	9-cis-Retinoic acid	C20H28O2	300.208923	NA	HMDB2010	NA	NA
+HMDB06219	13-cis-Retinoic acid	C20H28O2	300.208923	NA	HMDB2010	NA	NA
+HMDB12329	4-Oxoretinol	C20H28O2	300.208923	NA	HMDB2010	NA	NA
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	HMDB	NA	NA
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	Inhouse_PFEM	NA	NA
+MJ027048	Retinoate 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027049	1(10),8,11,13-Icetexatetraen-12-ol; ?10(20)-Isomer, 1?-hydroxy 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027050	1(10),8,11,13-Iretexatetraene-11,12-diol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027051	1(15),3,7,11-Cembratetraen-16,2-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027052	1(19),6,10(17),13-Xenicatetraen-18,17-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027053	1(19),6,10,13-Xenicatetraen-17,18-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027054	1(19),6,10,13-Xenicatetraen-18,17-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027055	1(19),6,11,13-Xenicatetraen-17,18-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027056	1,20-Epoxy-1,3(20),6,10,14-phytapentaen-13-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027057	10(20),16-Grayanotoxadien-19-oic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027058	11-Hydroxy-7,9(11),13-abietatrien-12-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027059	11-Hydroxy-8,11,13-cleistanthatrien-7-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027060	11-Hydroxy-8,15-isopimaradien-7-one; 11?-form, 11-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027061	12-Ethyl-13-methoxy-8,11,13-podocarpatrien-3-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027062	12-Hydroxy-8,11,13-abietatrien-1-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027063	12-Hydroxy-8,11,13-abietatrien-7-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027064	12-Oxo-7,13-abietadien-19-al 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027065	13(16),14-Spongiadien-19-al 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027066	13,15-Cassadiene-3,12-dione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027067	14-Hydroxy-3,5(10),11-cyathatrien-15-al; 14?-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027068	14-Hydroxy-8,11,13-abietatrien-3-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027069	14-Hydroxy-8,11,13-abietatrien-7-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027070	14-Oxo-3,11-cyathadien-15-al 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027071	15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form, 17-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027072	15,16-Epoxy-3,13(16),14-clerodatrien-18-ol, 18-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027073	15,16-Epoxy-3,13(16),14-clerodatrien-19-al; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027074	15,16-Epoxy-3,13(16),14-clerodatrien-2-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027075	15,16-Epoxy-8(17),11,13(16),14-labdatetraen-6-ol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027076	15,16-Epoxy-8(17),11,13(16),14-labdatetraen-7-ol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027077	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027078	15,16-Epoxy-8(17),13(16),14-labdatrien-2-ol, 2-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027079	15,16-Epoxy-8,13(16),14-labdatrien-7-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027080	15-Beyerene-2,12-dione; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027081	15-Beyerene-3,12-diol, 3,12-Diketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027082	15-Kauren-19,20-olide; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027083	16-Atisene-3,14-dione; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027084	18-Nor-8,11,13-abietatrien-4-ol; 4-Epimer, formyl 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027085	19-Norpregn-4-en-20-yne-3,17-diol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027086	19-Norpregn-4-ene-3,20-dione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027087	2,12-Cyathadiene-1,8-diol, Diketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027088	2,15-Valparadiene-1,4-dione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027089	2,7-Fusicoccadiene-4,12-dione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027090	2-Hydroxy-1,15-beyeradien-3-one; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027091	2-Hydroxy-2,15-beyeradien-1-one; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027092	2-Hydroxy-8,11,13-abietatrien-7-one; 2?-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027093	20-Hydroxy-8,11,13-cleistanthatrien-7-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027094	3,11,14-Prenyleudesmatriene-2,13-dione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027095	3,7,11,15(17)-Cembratetraen-16,14-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027096	3,7,11,15(17)-Cembratetraen-16,2-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027097	3,7,18-Dolabellatrien-17,6-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027098	5,8-Epoxyvitamin A; 15-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027099	6,16-Kauradien-19-oic acid; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027100	6,8(14),15-Isopimaratrien-18-oic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027101	6,8(17),13-Labdatrien-15,16-olide; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027102	6,8,11,13-Abietatetraene-12,16-diol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027103	6-Hydroxy-16-kauren-19-oic acid, Lactone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027104	7,13,15-Abietatrien-18-oic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027105	7,20-Epoxy-8,11,13-abietatrien-12-ol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027106	7-Hydroxy-8,13-abietadien-19-al; 7?-form, 7-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027107	8(14),15-Isopimaradiene-3,7-diol, Diketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027108	8(14),15-Pimaradiene-3,12-diol, 3,12-Diketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027109	8(17),11,13-Labdatrien-16,15-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027110	8(17),12,14-Labdatrien-19,6-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027111	8,11,13,15-Cleistanthatetraene-3,12-diol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027112	8,11,13-Abietatrien-18-oic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027113	8,11,13-Abietatrien-19-ol; 19-Carboxylic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027114	8,11,13-Abietatriene-12,18-diol; 18-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027115	8,11,13-Abietatriene-12,20-diol; 20-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027116	8,11,13-Abietatriene-2,12-diol; 2?-form, 6,7-Didehydro 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027117	8,11,13-Abietatriene-3,12-diol; 3?-form, 3-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027118	8,11,13-Abietatriene-6,12-diol; 6?-form, 6-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027119	8,11,13-Abietatriene-7,15-diol, 7-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027120	8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027121	8,11,13-Cleistanthatrien-17-ol; 17-Carboxylic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027122	8,11,13-Cleistanthatrien-19-ol; 19-Carboxylic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027123	8,11,13-Totaratriene-13,19-diol; 19-Aldehyde 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027124	8,11,13-Totaratriene-3,13-diol, 3-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027125	8,13-Abietadien-19-oic acid; 15,16-Didehydro 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027126	8,13-Abietadiene-11,12-dione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027127	9(11),15-Beyeradien-19-oic acid; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027128	9(11),16-Kauradien-19-oic acid; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027129	9(11),16-Kauradiene-6,15-diol, 15-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027130	9(11),16-Kauradiene-6,15-diol, 6-Ketone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027131	9(11)-Trachyloben-19-oic acid; ent-form 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027132	9,10-Seco-8,11,13-abietatrien-18,10-olide 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027133	9-Hydroxy-1,3,5(14)-isodolastatrien-13-one 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027134	Ambliofuran; 12-Oxo 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027135	Ambliofuran; 8,9E-Didehydro, 18-hydroxy 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027136	Bisocimenone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027137	Cedronellone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027138	Coraxeniolide A; 4,12-Didehydro (E-) 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027139	Ghiselinin 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027140	Harziandione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027141	Isoharziandione 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027142	Jolkinolide E 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027143	Marginatone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027144	Metandienone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027145	Nimbosone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027146	Nordinone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027147	Norgesterone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027148	Norvinisterone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027149	Retinal, 4R-Hydroxy 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027150	Retinoic acid 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027151	Saturol 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027152	Taonianone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027153	Tebufelone 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027154	Tetrachyrin 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027155	Udoteafuran 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027156	Xeniafaraunol A 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MJ027157	Zoapatlin 	C20H28O2	300.20893	NA	MeJP	NA	NA
+MetaCyc02677	retinoate [Retinoic acid;Vitamin A acid;all-trans-Retinoate;Acide retinoique (French) (DSL);tretinoin (English, German) (EINECS);tretinoine (French) (EINECS);3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL);(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid;b-Retinoic acid;2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-;AGN 100335;all-(E)-Retinoic acid;all-trans-b-Retinoic acid;all-trans-Retinoic acid;all-trans-Tretinoin;all-trans-Vitamin A acid;Retin A;Retinoic acid, all-trans-;Ro 1-5488;trans-Retinoic acid;Tretin M;Vitamin A acid, all-trans-;Vitamin A1 acid, all-trans-;]	C20H28O2	300.20893	302-79-4	metacyc	NA	NA
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR084	Retinoic acid	C20H28O2	300.20893	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0710	Nonenoylcarnitine isomer [(M+H)]+ (13C)	C1513CH30NO4	300.212475	C18rt(min)=7.9 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0711	Nonenoylcarnitine isomer [(M+H)]+ (13C)	C1513CH30NO4	300.212475	C18rt(min)=7.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0710	Nonenoylcarnitine isomer [(M+H)]+ (13C)	C1513CH30NO4	300.212475	C18rt(min)=7.9 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0711	Nonenoylcarnitine isomer [(M+H)]+ (13C)	C1513CH30NO4	300.212475	C18rt(min)=7.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ027158	Fastigiatine 	C19H28N2O	300.220163	NA	MeJP	NA	NA
+MJ027159	Hydroxypropyllycodine 	C19H28N2O	300.220163	NA	MeJP	NA	NA
+MJ027160	2,11-Tridecanediol, Di-Ac 	C17H32O4	300.230059	NA	MeJP	NA	NA
+MJ027161	2,12-Tridecanediol, Di-Ac 	C17H32O4	300.230059	NA	MeJP	NA	NA
+MJ027162	2-Dodecyl-3-methylbutanedioic acid 	C17H32O4	300.230059	NA	MeJP	NA	NA
+MJ027163	7,16-Dihydroxy-8-hexadecenoic acid, Me ester 	C17H32O4	300.230059	NA	MeJP	NA	NA
+HMDB11531	MG(0:0/14:1(9Z)/0:0)	C17H32O4	300.230072	NA	HMDB2010	NA	NA
+HMDB11562	MG(14:1(9Z)/0:0/0:0)	C17H32O4	300.230072	NA	HMDB2010	NA	NA
+C12811	Allylestrenol	C21H32O	300.2453	NA	KEGG	NA	NA
+C12812	Transferred to D01375	C21H32O	300.2453	NA	KEGG	NA	NA
+C12813	Transferred to D01376	C21H32O	300.2453	NA	KEGG	NA	NA
+C12814	Transferred to D01377	C21H32O	300.2453	NA	KEGG	NA	NA
+C12816	Transferred to D01379	C21H32O	300.2453	NA	KEGG	NA	NA
+C12817	Transferred to D01380	C21H32O	300.2453	NA	KEGG	NA	NA
+C12818	Transferred to D01381	C21H32O	300.2453	NA	KEGG	NA	NA
+C15420	5alpha-Pregn-2-en-20-one	C21H32O	300.2453	NA	KEGG	NA	NA
+C15431	17-Ethynyl-5alpha-androstan-17beta-ol	C21H32O	300.2453	NA	KEGG	NA	NA
+MJ027164	3-Pentadecylphenol; 8',9',11',12'-Tetradehydro (Z,Z-) 	C21H32O	300.245315	NA	MeJP	NA	NA
+MJ027165	Allylestrenol 	C21H32O	300.245315	NA	MeJP	NA	NA
+MJ027166	Pregna-5,20-dien-3-ol 	C21H32O	300.245315	NA	MeJP	NA	NA
+MJ027167	18-Fluoro-9-octadecenoic acid 	C18H33FO2	300.246458	NA	MeJP	NA	NA
+C03042	(R)-2-Hydroxystearate	C18H36O3	300.2664	NA	KEGG	NA	NA
+C03045	(S)-2-Hydroxystearate	C18H36O3	300.2664	NA	KEGG	NA	NA
+C03195	(R)-10-Hydroxystearate	C18H36O3	300.2664	NA	KEGG	NA	NA
+MJ027168	10-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027169	16-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027170	17-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027171	18-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027172	2-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027173	3-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027174	9-Hydroxyheptadecanoic acid; Me ether 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MJ027175	9-Hydroxyoctadecanoic acid 	C18H36O3	300.266445	NA	MeJP	NA	NA
+MetaCyc02678	(S)-2-hydroxystearate []	C18H36O3	300.266445	NA	metacyc	NA	NA
+MetaCyc02679	R-2-hydroxystearate []	C18H36O3	300.266445	629-22-1	metacyc	NA	NA
+MetaCyc02680	(R)-10-Hydroxystearate []	C18H36O3	300.266445	638-26-6	metacyc	NA	NA
+HMDB10737	(R)-3-Hydroxy-Octadecanoic acid	C18H36O3	300.266449	NA	HMDB2010	NA	NA
+MJ027176	Pimaradiene 	C22H36	300.281701	NA	MeJP	NA	NA
+3275	NA	RGDSPA	300.63495	MH2+	Inhouse_peptide	NA	peptide
+7678	ACE inhibitor from dried bonito	LKPMN	300.65665	MH2+	Inhouse_peptide	NA	peptide
+2629	synthetic fr,of human beta-CN (48-52) ACE inhibitor	PLIYP	300.6675	MH2+	Inhouse_peptide	NA	peptide
+MJ027177	2,3,4-Tribromo-1H-pyrrole 	C4H2Br3N	300.773737	NA	MeJP	NA	NA
+MJ027178	5,7-Dibromo-8-hydroxyquinoline 	C9H5Br2NO	300.873789	NA	MeJP	NA	NA
+MJ027179	Eltenac 	C12H9Cl2NO2S	300.973104	NA	MeJP	NA	NA
+MJ027180	2-Carboxy-4,6-dichloro-1H-indole-3-propanoic acid 	C12H9Cl2NO4	300.990863	NA	MeJP	NA	NA
+C15249	2-(3,5-Dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-	C13H13Cl2NO3	301.0272	NA	KEGG	NA	NA
+MJ027181	2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid, N,N,N-Tri-Me, betaine 	C12H16BrNO3	301.031356	NA	MeJP	NA	NA
+MetaCyc02681	BAS 110 []	C12H13N3O2CL2	301.038482	NA	metacyc	NA	NA
+HMDB00781	N-Acetylgalactosamine 4-sulphate	C8H15NO9S	301.04675	http://www.hmdb.ca/metabolites/HMDB00781	HMDB	NA	NA
+HMDB00814	N-Acetylglucosamine 6-sulfate	C8H15NO9S	301.04675	http://www.hmdb.ca/metabolites/HMDB00814	HMDB	NA	NA
+HMDB00841	N-Acetylgalactosamine 6-sulfate	C8H15NO9S	301.04675	http://www.hmdb.ca/metabolites/HMDB00841	HMDB	NA	NA
+HMDB00781	N-Acetylgalactosamine 4-sulphate	C8H15NO9S	301.04675	HMDB00781	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00814	N-Acetylglucosamine 6-sulfate	C8H15NO9S	301.04675	HMDB00814	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00841	N-Acetylgalactosamine 6-sulfate	C8H15NO9S	301.04675	HMDB00841	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00781	N-Acetylgalactosamine 4-sulphate	C8H15NO9S	301.046753	NA	HMDB2010	NA	NA
+HMDB00814	N-Acetylglucosamine 6-sulfate	C8H15NO9S	301.046753	NA	HMDB2010	NA	NA
+HMDB00841	N-Acetylgalactosamine 6-sulfate	C8H15NO9S	301.046753	NA	HMDB2010	NA	NA
+C03953	N-Acetylglucosamine 4-sulfate	C8H15NO9S	301.0468	NA	KEGG	NA	NA
+C04132	N-Acetyl-D-glucosamine 6-sulfate	C8H15NO9S	301.0468	NA	KEGG	NA	NA
+C04255	N-Acetyl-D-galactosamine 6-sulfate	C8H15NO9S	301.0468	NA	KEGG	NA	NA
+C16265	N-Acetylgalactosamine 4-sulfate	C8H15NO9S	301.0468	NA	KEGG	NA	NA
+MJ027182	Benoxaprofen 	C16H12ClNO3	301.05057	NA	MeJP	NA	NA
+C13719	Nocodazole	C14H11N3O3S	301.0521	NA	KEGG	NA	NA
+MJ027183	Nocodazole 	C14H11N3O3S	301.052111	NA	MeJP	NA	NA
+MJ027184	N-Acetyl-D-glucosamine 1-phosphate 	C8H16NO9P	301.056267	NA	MeJP	NA	NA
+MJ027185	N-Acetyl-D-glucosamine 6-phosphate 	C8H16NO9P	301.056267	NA	MeJP	NA	NA
+MJ027186	N-Acetyl-D-mannosamine 6-phosphate 	C8H16NO9P	301.056267	NA	MeJP	NA	NA
+MetaCyc02682	N-acetyl-D-mannosamine-6-phosphate [ManNAc-6-P;N-acetylmannosamine-6-P;N-acetyl-mannosamine-6-P;N-acetyl-D-mannosamine-6-P;N-acetyl-mannosamine-6-phosphate;]	C8H16N1O9P1	301.056268	157296-99-6	metacyc	NA	NA
+MetaCyc02683	N-acetyl-glucosamine-1-phosphate [N-acetyl-D-glucosamine 1-phosphate;N-acetyl-&alpha;-D-glucosamine 1-phosphate;]	C8H16N1O9P1	301.056268	NA	metacyc	NA	NA
+MetaCyc02684	N-acetyl-D-galactosamine-6-phosphate []	C8H16N1O9P1	301.056268	NA	metacyc	NA	NA
+MetaCyc02685	N-acetyl-D-glucosamine-6-phosphate [N-acetylglucosamine-6-P;GlcNAc-6-P;N-acetyl-D-glucosamine-6-P;N-acetyl-glucosamine-6-phosphate;N-acetyl-glucosamine-6-P;]	C8H16N1O9P1	301.056268	102029-88-9	metacyc	NA	NA
+MetaCyc02686	N-acetyl-D-mannosamine-1-phosphate [N-acetyl-mannosamine-1-P;N-acetyl-D-mannosamine-1-P;N-acetyl-mannosamine-1-phosphate;]	C8H16N1O9P1	301.056268	NA	metacyc	NA	NA
+HMDB01062	N-Acetyl-D-Glucosamine 6-Phosphate	C8H16NO9P	301.05627	http://www.hmdb.ca/metabolites/HMDB01062	HMDB	NA	NA
+HMDB01121	N-Acetyl-D-mannosamine 6-phosphate	C8H16NO9P	301.05627	http://www.hmdb.ca/metabolites/HMDB01121	HMDB	NA	NA
+HMDB01367	N-Acetyl-glucosamine 1-phosphate	C8H16NO9P	301.05627	http://www.hmdb.ca/metabolites/HMDB01367	HMDB	NA	NA
+HMDB02817	N-Acetylglucosamine 6-phosphate	C8H16NO9P	301.05627	http://www.hmdb.ca/metabolites/HMDB02817	HMDB	NA	NA
+HMDB06480	N-Acetyl-D-galactosamine 1-phosphate	C8H16NO9P	301.05627	http://www.hmdb.ca/metabolites/HMDB06480	HMDB	NA	NA
+HMDB01062	N-Acetyl-D-Glucosamine 6-Phosphate	C8H16NO9P	301.05627	HMDB01062	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01121	N-Acetyl-D-mannosamine 6-phosphate	C8H16NO9P	301.05627	HMDB01121	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01367	N-Acetyl-glucosamine 1-phosphate	C8H16NO9P	301.05627	HMDB01367	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02817	N-Acetylglucosamine 6-phosphate	C8H16NO9P	301.05627	HMDB02817	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06480	N-Acetyl-D-galactosamine 1-phosphate	C8H16NO9P	301.05627	HMDB06480	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01062	N-Acetyl-D-Glucosamine 6-Phosphate	C8H16NO9P	301.056274	NA	HMDB2010	NA	NA
+HMDB01121	N-Acetyl-D-mannosamine 6-phosphate	C8H16NO9P	301.056274	NA	HMDB2010	NA	NA
+HMDB01367	N-Acetyl-glucosamine 1-phosphate	C8H16NO9P	301.056274	NA	HMDB2010	NA	NA
+HMDB02817	N-Acetylglucosamine 6-phosphate	C8H16NO9P	301.056274	NA	HMDB2010	NA	NA
+HMDB06480	N-Acetyl-D-galactosamine 1-phosphate	C8H16NO9P	301.056274	NA	HMDB2010	NA	NA
+C00357	N-Acetyl-D-glucosamine 6-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C04256	N-Acetyl-D-glucosamine 1-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C04257	N-Acetyl-D-mannosamine 6-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C04258	N-Formyl-L-methionylaminoacyl-tRNA	C18H28N2O13PSR3	301.0563	NA	KEGG	NA	NA
+C04501	N-Acetyl-alpha-D-glucosamine 1-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C04502	N-Acetyl-beta-D-glucosaminyl-glycopeptide	C8H14NO6R	301.0563	NA	KEGG	NA	NA
+C06376	N-Acetyl-D-galactosamine 6-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C18055	N-Acetyl-alpha-D-hexosamine 1-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C18060	N-Acetyl-alpha-D-galactosamine 1-phosphate	C8H16NO9P	301.0563	NA	KEGG	NA	NA
+C18061	N-Acyl-L-homoserine	C5H8NO4R	301.0563	NA	KEGG	NA	NA
+MJ027187	2-Chloroadenosine 	C10H12ClN5O4	301.057781	NA	MeJP	NA	NA
+MJ027188	Tariacuripyrone; 7,9-Dimethoxy 	C15H11NO6	301.058637	NA	MeJP	NA	NA
+MJ027189	Verdoskyrin 	C15H11NO6	301.058637	NA	MeJP	NA	NA
+C01294	1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate	C7H16N3O8P	301.0675	NA	KEGG	NA	NA
+MJ027190	2-[(2-Hydroxyethyl)amino]-5-nitro-1H-benz[de]isoquinoline-1,3(2H)-dione 	C14H11N3O5	301.06987	NA	MeJP	NA	NA
+HMDB05797	Peonidin	C16H13O6	301.0712	http://www.hmdb.ca/metabolites/HMDB05797	HMDB	NA	NA
+C08726	Peonidin	C16H13O6	301.0712	NA	KEGG	NA	NA
+HMDB05797	Peonidin	C16H13O6	301.0712	HMDB05797	PFEM_hmdb_metabocards_official	NA	NA
+MJ027191	4-[(4-Chlorophenyl)methyl]-1,4,6,7-tetrahydro-9H-imidazo[1,2-a]purin-9-one 	C14H12ClN5O	301.073037	NA	MeJP	NA	NA
+MJ027192	4-Nitrophenyl glucoside; ?-D-Pyranose-form 	C12H15NO8	301.079766	NA	MeJP	NA	NA
+C04452	4-Nitrophenol-alpha-D-galactopyranoside	C12H15NO8	301.0798	NA	KEGG	NA	NA
+MJ027193	Ascididemin; 11-Hydroxy, 8,9-dihydro 	C18H11N3O2	301.085126	NA	MeJP	NA	NA
+MJ027194	Luotonin F 	C18H11N3O2	301.085126	NA	MeJP	NA	NA
+MJ027195	Rutaecarpine; 1-Hydroxy, 7,8-didehydro 	C18H11N3O2	301.085126	NA	MeJP	NA	NA
+MJ027196	4,9-Anhydrotetrodotoxin 	C11H15N3O7	301.090999	NA	MeJP	NA	NA
+MJ027197	Uridine-5-acetic acid; Amide 	C11H15N3O7	301.090999	NA	MeJP	NA	NA
+MJ027198	?-Amino-5-oxo-2(5H)-isoxazolepropanoic acid, N-(4-Amino-4-carboxybutanoyl) 	C11H15N3O7	301.090999	NA	MeJP	NA	NA
+CJneg0505	Phenylacetylglutamine [(M+Cl)]- (13C)	C1213CH16ClN2O4	301.091625	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0505	Phenylacetylglutamine [(M+Cl)]- (13C)	C1213CH16ClN2O4	301.091625	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ027199	Fluradoline 	C17H16FNOS	301.093663	NA	MeJP	NA	NA
+MJ027200	1,2,3,4-Tetrahydroxyacridone; 2,3,4-Tri-Me ether 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027201	1,2,3,5-Tetrahydroxyacridone; 2,3,10-O,O,N-Tri-Me 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027202	1,3,4,5-Tetrahydroxyacridone; 3,4,10-O,O,N-Tri-Me 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027203	1,3,5,6-Tetrahydroxyacridone; 3,5,10-O,O,N-Tri-Me 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027204	1,3,5,6-Tetrahydroxyacridone; 3,5,6-O-Tri-Me 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027205	1,3,5,6-Tetrahydroxyacridone; 3,6,10-O,O,N-Tri-Me 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027206	1,3,5,6-Tetrahydroxyacridone; 5,6,10-O,O,N-Tri-Me 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027207	5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]-2(1H)-pyridinone 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027208	Nanaomycin A; Amide 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027209	Renierol; O7-De-Me, O-angeloyl 	C16H15NO5	301.095022	NA	MeJP	NA	NA
+MJ027210	Ocinaplon 	C17H11N5O	301.096359	NA	MeJP	NA	NA
+FL7DEANS0001	6,7-Dihydroxy-5,4'-dimethoxy-flavylium;Carajurin	C17H17O5	301.10759	-	knapsack	NA	NA
+7554	ACE inhibitor from Tricholoma giganteum	GEP	301.115	antioxidative	Inhouse_peptide	NA	peptide
+7817	ACE inhibitor from mushroom Tricholoma giganteum	GEP	301.115	antibacterial	Inhouse_peptide	NA	peptide
+MJ027211	Troquidazole 	C14H15N5O3	301.117489	NA	MeJP	NA	NA
+MJ027212	Angustidine 	C19H15N3O	301.121512	NA	MeJP	NA	NA
+MJ027213	Dehydroevodiamine 	C19H15N3O	301.121512	NA	MeJP	NA	NA
+PJ000211	GPE 	C12H19N3O6	301.1274	NA	PeJP	NA	NA
+8190	peptide from buckwheat	PW	301.131	Short chain quaternary ammonium salts  ;SYN:(Carboxymethyl)trimethylammonium hydroxide inner salt; (Trimethylammonio)acetate; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; 1-carboxy-N,N,N-trimethyl-Methanaminium; 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide; Abromine; Aminocoat; Betafin; Betafin BCR; Betafin BP; Betaine; Cystadane; Ektasolve EE; FinnStim; Glycine betaine; Glycocoll betaine; Glycylbetaine; Greenstim; Loramine AMB 13; Loramine AMB-13; Lycine; N,N,N-Trimethylglycine; Oxyneurine; Rubrine C; Trimethylaminoacetate; Trimethylaminoacetic acid; Trimethylglycine; Trimethylglycocoll; a-Earleine; alpha-Earleine; trimethylbetaine GlycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+C05203	6-O-Methylnorlaudanosoline	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C06517	(S)-6-O-Methylnorlaudanosoline	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C06519	(S)-3'-Hydroxycoclaurine	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C08019	Oxymorphone	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C08020	Transferred to D00844	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C08525	Crinamine	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C08527	Haemanthamine	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C10941	Furalaxyl	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C11078	Fenoxycarb	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C11786	Morphine N-oxide	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C12163	Powelline	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C12190	9-O-Demethylhomolycorine	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C12191	ent-6beta-Hydroxybuphanisine	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C12192	ent-6alpha-Hydroxybuphanisine	C17H19NO4	301.1314	NA	KEGG	NA	NA
+C12327	Laudanosoline	C17H19NO4	301.1314	NA	KEGG	NA	NA
+MJ027214	(S)-3'-Hydroxycoclaurine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027215	(S)-6-O-Methylnorlaudanosoline 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027216	2,4-Dimethoxy-7,8-methylenedioxy-3-prenylquinoline 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027217	2-(4-Methoxyphenyl)ethylamine; N-(2-Hydroxy-6-methoxybenzoyl) 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027218	5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline; 8,9-Dimethoxy 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027219	Augustamine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027220	Balsamide 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027221	Brunsvinine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027222	Buphanamine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027223	Buphanisine, 6-Hydroxy 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027224	Coccinine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027225	Crinamine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027226	Demethylcephalotaxine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027227	Erysopitine; 2-Ketone 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027228	Falcatine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027229	Flexinine; Me ether 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027230	Folifinine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027231	Furo[2,3-b]quinoline-4,7-diol; NH-form, 7-Me ether, N-(3-hydroxy-3-methylbutyl) 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027232	Galanthamine, N-De-Me, N-formyl 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027233	Galanthus caucasicus Alkaloid 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027234	Geibalansine, Ac 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027235	Graciline; 3,4-Dihydro, 3S-hydroxy 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027236	Haemanthamine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027237	Higenamine, N-Me, N-oxide(R-) 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027238	Hippandrine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027239	Hippauline 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027240	Homolycorine; O9-De-Me 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027241	Krelagine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027242	Lycorine, O2-Me 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027243	Mesembrenone, N-De-Me, N-formyl 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027244	Montabuphine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027245	Montanine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027246	Morphine, N-Oxide 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027247	Nerispine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027248	Oduline 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027249	Oricine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027250	Oxymorphone 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027251	Platydesmine, Ac 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027252	Powelline 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027253	Ptelefolone 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027254	Pteleprenine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027255	Tecleanone 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027256	Veprisine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027257	Wisanidine 	C17H19NO4	301.131408	NA	MeJP	NA	NA
+MJ027258	Hydroxyluninium(1+), Deoxy 	C17H20NO4(+)	301.131408	NA	MeJP	NA	NA
+MetaCyc02687	6-O-methylnorlaudanosoline [4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinol-1-yl)methyl] benzene-1,2-diol;]	C17H19N1O4	301.131408	NA	metacyc	NA	NA
+MJ027259	Sulfonterol 	C14H23NO4S	301.134778	NA	MeJP	NA	NA
+MJ027260	Stylotellane A 	C16H25Cl2N	301.136405	NA	MeJP	NA	NA
+C10677	Febrifugine	C16H19N3O3	301.1426	NA	KEGG	NA	NA
+C10698	Isofebrifugine	C16H19N3O3	301.1426	NA	KEGG	NA	NA
+MJ027261	Febrifugine 	C16H19N3O3	301.142641	NA	MeJP	NA	NA
+MJ027262	Isofebrifugine 	C16H19N3O3	301.142641	NA	MeJP	NA	NA
+MJ027263	Prazitone 	C16H19N3O3	301.142641	NA	MeJP	NA	NA
+PJ000212	PW 	C16H19N3O3	301.1427	NA	PeJP	NA	NA
+8278	Antioxidative peptide	VPYPQ	301.1465	MH2+	Inhouse_peptide	NA	peptide
+MJ027264	Cyprolidol 	C21H19NO	301.146664	NA	MeJP	NA	NA
+3538	ACE inhibitor	VSP	301.152	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ027265	Ideamine A; N-Oxide 	C14H23NO6	301.152537	NA	MeJP	NA	NA
+MJ027266	3,14-Didehydro-19-methylnormalindine 	C20H19N3	301.157897	NA	MeJP	NA	NA
+MJ027267	Decussine 	C20H19N3	301.157897	NA	MeJP	NA	NA
+C02487	(Ac)2-L-Lys-D-Ala	C13H23N3O5	301.1638	NA	KEGG	NA	NA
+PJ000213	SPV 	C13H23N3O5	301.1638	NA	PeJP	NA	NA
+MJ027268	1-[7-(3,4-Methylenedioxyphenyl)-2,6-heptadienoyl]pyrrolidine, 2,3-Dihydro 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027269	3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, 2',3'-dihydro, 2'R,3'-dihydroxy 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027270	6-(4-Methoxyphenyl)-N-(3-methylbutyl)-2-oxo-3,5-hexadienamide 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027271	Asteranthine; 2',3'-Dihydroxy 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027272	Butopamine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027273	Chingchengenamide A 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027274	Cocculimine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027275	Cocculine; Me ether, N-oxide 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027276	Cocculitine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027277	Coccutrine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027278	Cohirsitinine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027279	Croton linearis Alkaloid E 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027280	Dihydroerysodine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027281	Dihydroerysovine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027282	Dihydromorphine, 3-O-Me 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027283	Discolorine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027284	Dobutamine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027285	Futoamide 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027286	Galanthamine, Me ether 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027287	Glaziovine, Tetrahydro 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027288	Hexahydromecambrine B 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027289	Isoxsuprine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027290	Lauformine; N-Me 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027291	Litsericine; N-Me 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027292	Maritidine, Me ether 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027293	Methyldihydromorphine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027294	Neruscine 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+MJ027295	Solpecainol 	C18H23NO3	301.167793	NA	MeJP	NA	NA
+C06967	Dobutamine	C18H23NO3	301.1678	NA	KEGG	NA	NA
+C06968	Transferred to D00305	C18H23NO3	301.1678	NA	KEGG	NA	NA
+MJ027296	Indolactam V 	C17H23N3O2	301.179026	NA	MeJP	NA	NA
+MJ027297	Floridimine 	C15H27NO5	301.188922	NA	MeJP	NA	NA
+MJ027298	Megalanthonine 	C15H27NO5	301.188922	NA	MeJP	NA	NA
+MJ027299	Trachelanthamine; 1,2',3'-Triepimer, N-oxide 	C15H27NO5	301.188922	NA	MeJP	NA	NA
+MJ027300	Trachelanthamine; 3'-Epimer, N-Oxide 	C15H27NO5	301.188922	NA	MeJP	NA	NA
+MJ027301	Trachelanthamine; 8-Epimer, N-oxide 	C15H27NO5	301.188922	NA	MeJP	NA	NA
+MJ027302	Trachelanthamine; N-Oxide 	C15H27NO5	301.188922	NA	MeJP	NA	NA
+MJ027303	Tegaserod 	C16H23N5O	301.19026	NA	MeJP	NA	NA
+PJ000214	GLL 	C14H27N3O4	301.2002	NA	PeJP	NA	NA
+MJ027304	1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-[(tetrahydro-2-furanyl)methyl]-2,6-methano-3-benzazocin-8-ol 	C19H27NO2	301.204179	NA	MeJP	NA	NA
+MJ027305	12-(3-Pyridinyl)-4,6,8-dodecatrien-2-ol, 8,9-Dihydro, Ac 	C19H27NO2	301.204179	NA	MeJP	NA	NA
+MJ027306	2,9-Pentadecadiene-12,14-diynoic acid, 2-Hydroxy-2-methylpropylamide 	C19H27NO2	301.204179	NA	MeJP	NA	NA
+MJ027307	8-Methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid, Isopropyl ester 	C19H27NO2	301.204179	NA	MeJP	NA	NA
+MJ027308	Delavayine A 	C19H28NO2(+)	301.204179	NA	MeJP	NA	NA
+CJpos0712	Nonenoylcarnitine isomer [(M+H)]+ (18O)	C16H30NO318O	301.213375	C18rt(min)=7.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0712	Nonenoylcarnitine isomer [(M+H)]+ (18O)	C16H30NO318O	301.213375	C18rt(min)=7.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ027309	4-Amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzamide 	C18H27N3O	301.215412	NA	MeJP	NA	NA
+MJ027310	Pentaquine 	C18H27N3O	301.215412	NA	MeJP	NA	NA
+CJpos0713	2,6 dimethylheptanoyl carnitine [(M+H)]+	C16H32NO4	301.224775	C18rt(min)=8.06 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0714	Nonanoylcarnitine [(M+H)]+	C16H32NO4	301.224775	C18rt(min)=8.18 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0713	2,6 dimethylheptanoyl carnitine [(M+H)]+	C16H32NO4	301.224775	C18rt(min)=8.06 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0714	Nonanoylcarnitine [(M+H)]+	C16H32NO4	301.224775	C18rt(min)=8.18 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06320	2,6 dimethylheptanoyl carnitine	C16H31NO4	301.22531	http://www.hmdb.ca/metabolites/HMDB06320	HMDB	NA	NA
+HMDB06320	2,6 dimethylheptanoyl carnitine	C16H31NO4	301.22531	HMDB06320	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06320	2,6 dimethylheptanoyl carnitine	C16H31NO4	301.225311	NA	HMDB2010	NA	NA
+HMDB13288	Nonanoylcarnitine	C16H31NO4	301.225311	NA	HMDB2010	NA	NA
+MJ027311	2,7-Hexadecadien-10-ynoic acid, Pyrrolidide 	C20H31NO	301.240564	NA	MeJP	NA	NA
+MJ027312	2,7-Hexadecadienoic acid, Pyrrolide 	C20H31NO	301.240564	NA	MeJP	NA	NA
+MJ027313	6,8-Hexadecadien-10-ynoic acid, Pyrrolidide 	C20H31NO	301.240564	NA	MeJP	NA	NA
+MJ027314	Deramciclane 	C20H31NO	301.240564	NA	MeJP	NA	NA
+MJ027315	Thelepogine 	C20H31NO	301.240564	NA	MeJP	NA	NA
+MJ027316	Trihexyphenidyl 	C20H31NO	301.240564	NA	MeJP	NA	NA
+C07171	Trihexyphenidyl	C20H31NO	301.2406	NA	KEGG	NA	NA
+C08454	(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide	C20H31NO	301.2406	NA	KEGG	NA	NA
+HMDB00269	Sphinganine	C18H39NO2	301.298065	NA	HMDB2010	NA	NA
+HMDB00269	Sphinganine	C18H39NO2	301.29807	http://www.hmdb.ca/metabolites/HMDB00269	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00269	Sphinganine	C18H39NO2	301.29807	http://www.hmdb.ca/metabolites/HMDB00269	HMDB	NA	NA
+HMDB00269	Sphinganine	C18H39NO2	301.29807	http://www.hmdb.ca/metabolites/HMDB00269	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00269	Sphinganine	C18H39NO2	301.29807	HMDB00269	PFEM_hmdb_metabocards_official	NA	NA
+MJ027317	2-Amino-1,3-octadecanediol 	C18H39NO2	301.298079	NA	MeJP	NA	NA
+MJ027318	Sphinganine 	C18H39NO2	301.298079	NA	MeJP	NA	NA
+MetaCyc02688	sphinganine [dihydrosphingosine;sphinganine;erythro-D-sphinganine;DHS;]	C18H39N1O2	301.29808	764-22-7	metacyc	NA	NA
+C00836	Sphinganine	C18H39NO2	301.2981	NA	KEGG	NA	NA
+MJ027319	Homopentamine 	C16H39N5	301.320546	NA	MeJP	NA	NA
+MJ027320	Homospermine; N5-(4-Aminobutyl) 	C16H39N5	301.320546	NA	MeJP	NA	NA
+MJ027321	Zinc permanganate 	Mn2O8Zn	301.764562	NA	MeJP	NA	NA
+MJ027322	[(5-Oxo-1,3,2-oxathiostibolan-2-yl)thio]acetic acid 	C4H5O4S2Sb	301.866743	NA	MeJP	NA	NA
+MJ027323	1,2,3,5-Benzenetetrol; 2,5-O-Disulfate 	C6H6O10S2	301.940237	NA	MeJP	NA	NA
+C14431	Methidathion	C6H11N2O4PS3	301.9619	NA	KEGG	NA	NA
+MJ027324	Erythritol; Tetranitrate 	C4H6N4O12	301.998221	NA	MeJP	NA	NA
+HMDB02899	Ellagic acid	C14H6O8	302.006256	NA	HMDB2010	NA	NA
+HMDB02899	Ellagic acid	C14H6O8	302.00626	http://www.hmdb.ca/metabolites/HMDB02899	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02899	Ellagic acid	C14H6O8	302.00626	http://www.hmdb.ca/metabolites/HMDB02899	HMDB	NA	NA
+HMDB02899	Ellagic acid	C14H6O8	302.00626	http://www.hmdb.ca/metabolites/HMDB02899	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02899	Ellagic acid	C14H6O8	302.00626	HMDB02899	PFEM_hmdb_metabocards_official	NA	NA
+MJ027325	Ellagic acid 	C14H6O8	302.006267	NA	MeJP	NA	NA
+C10788	Ellagic acid	C14H6O8	302.0063	NA	KEGG	NA	NA
+MJ027326	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether, 7-O-sulfate 	C11H10O8S	302.009637	NA	MeJP	NA	NA
+MJ027327	Etacrynic acid 	C13H12Cl2O4	302.011264	NA	MeJP	NA	NA
+MJ027328	Tixanox 	C15H10O5S	302.024894	NA	MeJP	NA	NA
+C17722	Narcobarbital	C11H15BrN2O3	302.0266	NA	KEGG	NA	NA
+MJ027329	Butallylonal 	C11H15BrN2O3	302.026605	NA	MeJP	NA	NA
+MJ027330	Pronarcon 	C11H15BrN2O3	302.026605	NA	MeJP	NA	NA
+MJ027331	5-Chloro-3-(phenylthio)-1H-indole-2-carboxamide 	C15H11ClN2OS	302.028061	NA	MeJP	NA	NA
+MJ027332	3-Benzyl-6-(2-methylpropyl)-1,2,4,5-tetrathiane 	C13H18S4	302.029133	NA	MeJP	NA	NA
+MJ027333	Nomelidine 	C15H15BrN2	302.041861	NA	MeJP	NA	NA
+JH207	Quercetin [M+H]+	C15H10O7	302.0421	17.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH207	Quercetin [M+H]+	C15H10O7	302.0421	17.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH207	Quercetin [M+H]+	C15H10O7	302.0421	17.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH207	Quercetin [M+H]+	C15H10O7	302.0421	17.6	Inhousejuil11	NA	NA
+FL1AAGNS0001	Bracteatin	C15H10O7	302.04265	3260-50-2	knapsack	NA	NA
+FL3FAGNS0001	Tricetin;5,7,3',4',5'-Pentahydroxyflavone;5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C15H10O7	302.04265	520-31-0	knapsack	NA	NA
+FL3FALNS0001	Isoetin	C15H10O7	302.04265	1621-84-7	knapsack	NA	NA
+FL3FECNS0003	6-Hydroxyluteolin;Demethylpedalitin;Nornepetin;2-(3,4-Dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one	C15H10O7	302.04265	18003-33-3	knapsack	NA	NA
+FL3FFCNS0001	Hypolaetin	C15H10O7	302.04265	27696-41-9	knapsack	NA	NA
+FL5F1GNS0001	Robinetin	C15H10O7	302.04265	490-31-3	knapsack	NA	NA
+FL5F2CNS0001	Rhynchosin	C15H10O7	302.04265	74514-47-9	knapsack	NA	NA
+FL5F3CNS0001	Melanoxetin;3,7,8,3',4'-Pentahydroxyflavone;2-(3,4-Dihydroxyphenyl)-3,7,8-trihydroxy-4H-1-benzopyran-4-one	C15H10O7	302.04265	489-58-7	knapsack	NA	NA
+FL5FA8NS0004	3,5,7,2',5'-Pentahydroxyflavone	C15H10O7	302.04265	-	knapsack	NA	NA
+FL5FA8NS0006	Viscidulin I	C15H10O7	302.04265	92519-95-4	knapsack	NA	NA
+FL5FACNS0001	Quercetin	C15H10O7	302.04265	117-39-5	knapsack	NA	NA
+FL5FALNS0002	Morin;3,5,7,2',4'-Pentahydroxyflavonol;2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C15H10O7	302.04265	480-16-0	knapsack	NA	NA
+FL5FEANS0001	6-Hydroxykaempferol	C15H10O7	302.04265	4324-55-4	knapsack	NA	NA
+FL5FFANS0001	Herbacetin	C15H10O7	302.04265	527-95-7	knapsack	NA	NA
+FLIAFLNS0002	5,7,8,2',4'-Pentahydroxyisoflavone	C15H10O7	302.04265	104363-16-8	knapsack	NA	NA
+MJ027334	1,2,3,5,6-Pentahydroxy-8-methylanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027335	1,2,3,5,8-Pentahydroxyanthraquinone; 2-Me ether 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027336	1,2,3,8-Tetrahydroxy-6-hydroxymethylanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027337	1,2,4,5,8-Pentahydroxy-7-methylanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027338	1,2,4,5-Tetrahydroxy-7-hydroxymethylanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027339	1,3,4,5,6-Pentahydroxy-2-methylanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027340	1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027341	1,3,6,8-Tetrahydroxy-2-(hydroxymethyl)anthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027342	2',3,4',5,7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027343	2',3,5,5',7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027344	2',3,5,6',7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027345	2',4',5,5',7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027346	2',4',5,7,8-Pentahydroxyisoflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027347	2-Hydroxymethyl-1,4,5,7-tetrahydroxyanthraquinone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027348	3',4',5,5',7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027349	3',4',5,6,7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027350	3',4',5,7,8-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027351	3',4',5,7,8-Pentahydroxyisoflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027352	3',4,4',5',6-Pentahydroxyaurone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027353	3,3',4',5',7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027354	3,3',4',5,7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027355	3,3',4',5,8-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027356	3,3',4',6,7-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027357	3,3',4',7,8-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027358	3,4',5,7,8-Pentahydroxyflavone 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027359	4-(2,6-Dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027360	Anhydrofusarubin; 1-Oxo 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027361	Didyronic acid 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027362	Ventilone A; 5-Me ether 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027363	Quercetin 	C15H10O7	302.042652	NA	MeJP	NA	NA
+MJ027364	3,3',4',5,5',7-Hexahydroxyflavylium(1+) 	C15H11O7(+)	302.042652	NA	MeJP	NA	NA
+MetaCyc02689	3,5,7,3',4'-pentahydroflavone []	C15H10O7	302.042653	117-39-5	metacyc	NA	NA
+MetaCyc02690	quercetin [3,5,7,3',4'-Pentahydroxyflavone;]	C15H10O7	302.042653	NA	metacyc	NA	NA
+MetaCyc02691	bracteatin []	C15H10O7	302.042653	NA	metacyc	NA	NA
+HMDB05794	Quercetin	C15H10O7	302.042664	NA	HMDB2010	NA	NA
+C00389	Quercetin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C00390	Ubiquinol	C14H20O4	302.0427	NA	KEGG	NA	NA
+C00391	Calmodulin	C14H20O4	302.0427	NA	KEGG	NA	NA
+C02806	8-Hydroxykaempferol	C15H10O7	302.0427	NA	KEGG	NA	NA
+C03662	2'-Hydroxypseudobaptigenin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C08577	Bracteatin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10068	6-Hydroxykaempferol	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10072	6-Hydroxyluteolin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10078	Hypolaetin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10079	Isoetin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10105	Morin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10177	Robinetin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C10192	Tricetin	C15H10O7	302.0427	NA	KEGG	NA	NA
+C15031	2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one	C15H10O7	302.0427	NA	KEGG	NA	NA
+MJ027365	2-(2-Nitro-1H-imidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide 	C8H7F5N4O3	302.043831	NA	MeJP	NA	NA
+MJ027366	Antibiotic BE 10988 	C13H10N4O3S	302.04736	NA	MeJP	NA	NA
+MJ027367	4,4'-Dihydroxyazobenzene-3,3'-dicarboxylic acid 	C14H10N2O6	302.053886	NA	MeJP	NA	NA
+C07323	Olsalazine	C14H10N2O6	302.0539	NA	KEGG	NA	NA
+MJ027368	Lachnanthofluorone 	C19H10O4	302.057908	NA	MeJP	NA	NA
+MJ027369	Fludiazepam 	C16H12ClFN2O	302.062218	NA	MeJP	NA	NA
+MJ027370	Neostigmine(1+); Bromide 	C12H19BrN2O2	302.06299	NA	MeJP	NA	NA
+C08197	Neostigmine bromide	C12H19N2O2	302.063	NA	KEGG	NA	NA
+C08198	Transferred to D00996	C12H19N2O2	302.063	NA	KEGG	NA	NA
+C08199	Transferred to D00997	C12H19N2O2	302.063	NA	KEGG	NA	NA
+C08200	Transferred to D00998	C12H19N2O2	302.063	NA	KEGG	NA	NA
+CJpos0715	Phenylacetylglutamine [(M+K)]+	C13H16KN2O4	302.066375	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0715	Phenylacetylglutamine [(M+K)]+	C13H16KN2O4	302.066375	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ027371	Teprosilic acid 	C10H14N4O5S	302.06849	NA	MeJP	NA	NA
+MJ027372	5-(Formyloxymethyl)uridine 	C11H14N2O8	302.075015	NA	MeJP	NA	NA
+MJ027373	1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate 	C7H17N3O8P	302.075326	NA	MeJP	NA	NA
+MetaCyc02692	1-guanidino-1-deoxy-scyllo-inositol 4-phosphate [N-amidino-scyllo-inosamine 4-phosphate;1-ganidino-1-deoxy-scyllo-inositol 4-phosphate;]	C7H17N3O8P1	302.075326	NA	metacyc	NA	NA
+MJ027374	Adechlorin 	C11H15ClN4O4	302.078182	NA	MeJP	NA	NA
+JH210	Hesperetin [M+H]+	C16H14O6	302.0785	17.78	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH210	Hesperetin [M+H]+	C16H14O6	302.0785	17.78	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH210	Hesperetin [M+H]+	C16H14O6	302.0785	17.78	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH210	Hesperetin [M+H]+	C16H14O6	302.0785	17.78	Inhousejuil11	NA	NA
+C01709	Hesperetin	C16H14O6	302.079	NA	KEGG	NA	NA
+C09756	Homoeriodictyol	C16H14O6	302.079	NA	KEGG	NA	NA
+C09931	Haematoxylin	C16H14O6	302.079	NA	KEGG	NA	NA
+C10377	(1S,3R)-Nanaomycin A	C16H14O6	302.079	NA	KEGG	NA	NA
+C10419	Ferreirin	C16H14O6	302.079	NA	KEGG	NA	NA
+C12436	Dihydrokalafungin	C16H14O6	302.079	NA	KEGG	NA	NA
+C16405	Homoeriodictyol chalcone	C16H14O6	302.079	NA	KEGG	NA	NA
+FL1B1CNS0002	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone	C16H14O6	302.07903	93012-79-4	knapsack	NA	NA
+FL1BBANS0001	Carpusin	C16H14O6	302.07903	87582-99-8	knapsack	NA	NA
+FL1C3CNS0002	Lanceoletin	C16H14O6	302.07903	6542-59-2	knapsack	NA	NA
+FL1CADNS0001	4,2',4',6'-Tetrahydroxy-3-methoxychalcone	C16H14O6	302.07903	25515-47-3	knapsack	NA	NA
+FL1CRTNS0006	3,4,3',4'-Tetrahydroxy-2-methoxychalcone	C16H14O6	302.07903	197227-39-7	knapsack	NA	NA
+FL2F3CNS0002	8-Methoxybutin	C16H14O6	302.07903	72241-27-1	knapsack	NA	NA
+FL2FA8NS0002	7,2',6'-Trihydroxy-5-methoxyflavanone	C16H14O6	302.07903	92519-96-5	knapsack	NA	NA
+FL2FA8NS0004	Scutamoenin	C16H14O6	302.07903	129138-49-4	knapsack	NA	NA
+FL2FA8NS0007	5,2',3'-Trihydroxy-7-methoxyflavanone	C16H14O6	302.07903	188440-66-6	knapsack	NA	NA
+FL2FA9NM0015	5,7,3',5'-Tetrahydroxy-6-methylflavanone	C16H14O6	302.07903	479676-94-3	knapsack	NA	NA
+FL2FA9NS0009	Alysifolinone;5,7,3'-Trihydroxy-5'-methoxyflavanone	C16H14O6	302.07903	183857-79-6	knapsack	NA	NA
+FL2FADNS0001	Homoeriodictyol	C16H14O6	302.07903	446-71-9	knapsack	NA	NA
+FL2FAENS0001	Hesperetin	C16H14O6	302.07903	520-33-2	knapsack	NA	NA
+FL2FALNS0003	Artocarpanone	C16H14O6	302.07903	520-25-2	knapsack	NA	NA
+FL2FCCNS0001	Sternbin	C16H14O6	302.07903	51857-11-5	knapsack	NA	NA
+FL2FEANS0002	5,7,4'-Trihydroxy-6-methoxyflavanone	C16H14O6	302.07903	94942-49-1	knapsack	NA	NA
+FL2FF8NS0005	5,8,2'-Trihydroxy-7-methoxyflavanone	C16H14O6	302.07903	115713-22-9	knapsack	NA	NA
+FL2FFANS0004	5,7,4'-Trihydroxy-8-methoxyflavanone	C16H14O6	302.07903	94884-92-1	knapsack	NA	NA
+FL2FFANS0005	5,7,8-Trihydroxy-4'-methoxyflavanone	C16H14O6	302.07903	244775-34-6	knapsack	NA	NA
+FL2FG9NS0006	Oresbiusin;6,7,8-Trihydroxy-5-methoxyflavanone	C16H14O6	302.07903	178275-97-3	knapsack	NA	NA
+FL4D1CNS0003	3-O-Methyl-2,3-trans-fustin	C16H14O6	302.07903	38681-23-1	knapsack	NA	NA
+FL4DABNS0001	Aromadendrin 4'-methyl ether	C16H14O6	302.07903	3570-69-2	knapsack	NA	NA
+FL4DBANS0001	Aromadendrin 5-methyl ether	C16H14O6	302.07903	151261-86-8	knapsack	NA	NA
+FL4DCANS0001	Aromadendrin 7-methyl ether	C16H14O6	302.07903	37971-69-0	knapsack	NA	NA
+FL4DDANS0001	Aromadendrin 3-methyl ether	C16H14O6	302.07903	97231-20-4	knapsack	NA	NA
+FL4DE9NS0001	Alnustinol	C16H14O6	302.07903	35298-89-6	knapsack	NA	NA
+FL4DF9NS0001	(2R,3R)-3,5,8-Trihydroxy-7-methoxyflavanone	C16H14O6	302.07903	578730-88-8	knapsack	NA	NA
+FL6DPTNS0001	Peltogynan-4-alpha-ol	C16H14O6	302.07903	67179-15-1	knapsack	NA	NA
+FL6DPTNS0002	ent-Epipeltogynan-4alpha-ol	C16H14O6	302.07903	71358-25-3	knapsack	NA	NA
+FL6DPTNS0004	Mopanan-4alpha-ol	C16H14O6	302.07903	13848-12-9	knapsack	NA	NA
+FL6DPTNS0005	Epimopanan-4alpha-ol	C16H14O6	302.07903	127644-67-1	knapsack	NA	NA
+FLIB1LNS0012	(3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone	C16H14O6	302.07903	122587-88-6	knapsack	NA	NA
+FLIBALNS0003	Ferreirin	C16H14O6	302.07903	32898-79-6	knapsack	NA	NA
+FLIBALNS0005	Isoferreirin	C16H14O6	302.07903	76656-75-2	knapsack	NA	NA
+FLIDHXNS0009	6a,7-Dihydroxymedicarpin;3,6a,7-Trihydroxy-9-methoxypterocarpan	C16H14O6	302.07903	61135-98-6	knapsack	NA	NA
+FLNB3CNS0001	Haematoxylin	C16H14O6	302.07903	517-28-2	knapsack	NA	NA
+MJ027375	1',4'-Dihydrospiro[benzofuran-3(2H),3'-[3H-2]benzopyran]-1',6,6',7'-tetrol 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027376	1,11b-Dihydro-11b-hydroxymaackiain 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027377	1,2,3,4-Tetrahydroxyxanthone; 1,2,4-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027378	1,2,3,5-Tetrahydroxyxanthone; 1,2,3-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027379	1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027380	1,2,3,7-Tetrahydroxyxanthone; 1,2,3-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027381	1,2,3,7-Tetrahydroxyxanthone; 1,2,7-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027382	1,2,3,7-Tetrahydroxyxanthone; 1,3,7-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027383	1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027384	1,2,5,6-Tetrahydroxyxanthone; 1,2,5-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027385	1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027386	1,2,6,8-Tetrahydroxyxanthone; 1,2,8-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027387	1,2,6,8-Tetrahydroxyxanthone; 1,6,8-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027388	1,2,6,8-Tetrahydroxyxanthone; 2,6,8-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027389	1,2,7,8-Tetrahydroxyxanthone; 1,2,8-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027390	1,2-Bis(3,4,5-trihydroxyphenyl)ethane; 3,4:3',4'-Bis(methylene) ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027391	1,3,4,7-Tetrahydroxyxanthone; 3,4,7-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027392	1,3,5,6-Tetrahydroxyxanthone; 1,3,5-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027393	1,3,5,6-Tetrahydroxyxanthone; 1,5,6-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027394	1,3,5,6-Tetrahydroxyxanthone; 3,5,6-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027395	1,3,5,8-Tetrahydroxyxanthone; 1,3,5-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027396	1,3,5,8-Tetrahydroxyxanthone; 3,5,8-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027397	1,3,6,7-Tetrahydroxyxanthone; 3,6,7-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027398	1,3,6,8-Tetrahydroxyxanthone; 3,6,8-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027399	1,4-Bis(2,4-dihydroxyphenyl)-1,4-butanedione 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027400	2',3',4',7-Tetrahydroxyisoflavanone, 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027401	2',3',5,7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027402	2',3,3',4,4'-Pentahydroxychalcone, 3-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027403	2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027404	2',3,4',7-Tetrahydroxyisoflavanone, 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027405	2',3,4,4',6'-Pentahydroxychalcone; 3-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027406	2',3,6'-Trihydroxy-4'-methylbenzophenone-2-carboxylic acid; Me ester 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027407	2',3,7-Trihydroxy-4',5'-methylenedioxyisoflavan 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027408	2',4',5',7-Tetrahydroxyisoflavanone, 5'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027409	2',4',5,7-Tetrahydroxyflavanone, 2'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027410	2',4',5,7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027411	2',4',5,7-Tetrahydroxyisoflavanone; 2'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027412	2',4',5,7-Tetrahydroxyisoflavanone; 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027413	2',4',5,7-Tetrahydroxyisoflavanone; 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027414	2',5,5',8-Tetrahydroxyflavanone, 5'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027415	2',5,6',7-Tetrahydroxyflavanone, 5-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027416	2',5,6',7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027417	2',5,7,8-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027418	2',5,7,8-Tetrahydroxyflavanone, 8-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027419	2,3',4,4',6-Pentahydroxybenzophenone; 3',4'-Methylene, 2,4-di-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027420	2,3,3',4,4'-Pentahydroxychalcone, 2-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027421	2,3,4,6-Tetrahydroxyxanthone; 2,3,6-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027422	2,3,4,7-Tetrahydroxyxanthone; 2,3,4-Tri-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027423	2,4',5,7-Tetrahydroxyisoflavanone, 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027424	2,6,7-Trihydroxy-9-methyl-4-dibenzofurancarboxylic acid; 2,7-Di-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027425	2-(3,4-Dihydroxybenzyl)-2,6-dihydroxy-3(2H)-benzofuranone, 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027426	2-Acetyl-8-hydroxynaphtho[2,3-b]furan-4,9-dione; 7-Methoxy, 1'?-alcohol, Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027427	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027428	3',4',5,7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027429	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027430	3',4',5,7-Tetrahydroxyflavanone, 5-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027431	3',4',5,7-Tetrahydroxyisoflavanone; 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027432	3',4',7,8-Tetrahydroxyflavanone, 8-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027433	3',5,5',7-Tetrahydroxyflavanone, 3'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027434	3',5,5',7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027435	3',5,7-Trihydroxy-4'-methoxyflavanone 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027436	3,3',4',7-Tetrahydroxyflavanone, 3-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027437	3,3',4',7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027438	3,3',4',7-Tetrahydroxyflavanone, 3-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027439	3,4',5,7-Tetrahydroxyflavanone, 3-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027440	3,4',5,7-Tetrahydroxyflavanone, 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027441	3,4',5,7-Tetrahydroxyflavanone, 5-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027442	3,4',5,7-Tetrahydroxyflavanone, 7-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027443	3,4,7,9-Tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; 3,9-Di-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027444	3,5,6,7-Tetrahydroxyflavanone, 6-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027445	3,6a,7,9-Tetrahydroxypterocarpan; 9-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027446	3-(3,4-Dihydroxybenzyl)-3,7-dihydroxy-4-chromanone 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027447	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027448	3-Acetyl-1,4-dihydro-5-hydroxy-?,4-dioxo-2-naphthalenebutanoic acid 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027449	3-Hydroxydehydroiso-?-lapachone, 5-Hydroxy, 6-methoxy 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027450	4',5,6,7-Tetrahydroxyflavanone, 6-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027451	4',5,7,8-Tetrahydroxyflavanone, 4'-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027452	4',5,7,8-Tetrahydroxyflavanone, 8-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027453	4,4a-Dihydro-4,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4a-carboxylic acid; Me ester 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027454	5,6,7,8-Tetrahydroxyflavanone, 5-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027455	5,6-Dehydro-5-methoxymethysticin 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027456	5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027457	6-(3,4-Methylenedioxystyryl)-?-pyrone; 4,14-Dimethoxy 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027458	Aflatoxin B3 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027459	Alphitonin; 3'-Deoxy, 4-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027460	Baishouwubenzophenone 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027461	Barceloneic acid A; 1?1'-Lactone 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027462	Clavilactone C; 13-Deoxy, 2-hydroxy, 1,4-quinone 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027463	Cynandione A 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027464	Fusarubin; 3-Deoxy, 3,4-didehydro, 9-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027465	Gnetifolin A 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027466	Haematoxylin 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027467	Marsupsin 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027468	Melodorinol, Ac 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027469	Mopanol 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027470	Mutactin 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027471	Nanaomycin A 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027472	Nidulalin A 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027473	Peltogynol 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027474	Perforatic acid 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027475	Phyllodulcin, 6-Hydroxy 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027476	Piperolide; 3',4'-Methylenedioxy 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027477	Protogenkwanin 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027478	Protosappanin B; 1'-Aldehyde 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MJ027479	Ventiloquinone I; 3,4-Didehydro, 7-O-de-Me, 8-Me ether 	C16H14O6	302.079038	NA	MeJP	NA	NA
+MetaCyc02693	hesperitin [hesperetin;]	C16H14O6	302.079038	NA	metacyc	NA	NA
+MetaCyc02694	homoeriodictyol []	C16H14O6	302.079038	NA	metacyc	NA	NA
+MetaCyc02695	2,5,7-trihydroxy-4'-methoxyisoflavanone []	C16H14O6	302.079038	NA	metacyc	NA	NA
+HMDB05782	Hesperetin	C16H14O6	302.07904	http://www.hmdb.ca/metabolites/HMDB05782	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05782	Hesperetin	C16H14O6	302.07904	http://www.hmdb.ca/metabolites/HMDB05782	HMDB	NA	NA
+HMDB05782	Hesperetin	C16H14O6	302.07904	http://www.hmdb.ca/metabolites/HMDB05782	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05782	Hesperetin	C16H14O6	302.07904	HMDB05782	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05782	Hesperetin	C16H14O6	302.079041	NA	HMDB2010	NA	NA
+MJ027480	Rugulovasine A, 5-Epimer, 8-chloro 	C16H15ClN2O2	302.082205	NA	MeJP	NA	NA
+MJ027481	Rugulovasine A, 8-Chloro 	C16H15ClN2O2	302.082205	NA	MeJP	NA	NA
+MJ027482	Cambendazole 	C14H14N4O2S	302.083746	NA	MeJP	NA	NA
+CJneg0506	Phenylacetylglutamine [(M+Cl)]- (37Cl)	C13H16Cl037ClN2O4	302.085325	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0506	Phenylacetylglutamine [(M+Cl)]- (37Cl)	C13H16Cl037ClN2O4	302.085325	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ027483	Mimocin 	C15H14N2O5	302.090271	NA	MeJP	NA	NA
+MJ027484	2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one; 4'-Me ether 	C20H14O3	302.094294	NA	MeJP	NA	NA
+MJ027485	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4'-Hydroxy, Me ether 	C20H14O3	302.094294	NA	MeJP	NA	NA
+MJ027486	7,8-Dihydroxy-6-phenyl-1H-phenalen-1-one; 7-Me ether 	C20H14O3	302.094294	NA	MeJP	NA	NA
+MJ027487	Florantyrone 	C20H14O3	302.094294	NA	MeJP	NA	NA
+MJ027488	Lachnanthocarpone; 6-Me ether 	C20H14O3	302.094294	NA	MeJP	NA	NA
+C14853	Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide	C20H14O3	302.0943	NA	KEGG	NA	NA
+MJ027489	1,2,4-Benzenetriol; 2-Me ether, 1-O-?-D-glucopyranoside 	C13H18O8	302.100167	NA	MeJP	NA	NA
+MJ027490	1,2,4-Benzenetriol; 2-Me ether, 4-O-?-D-glucopyranoside 	C13H18O8	302.100167	NA	MeJP	NA	NA
+MJ027491	1,3,5-Benzenetriol; O-?-D-Glucopyranoside, mono-Me ether 	C13H18O8	302.100167	NA	MeJP	NA	NA
+MJ027492	2,3-Dihydroxybenzyl alcohol; O2-?-D-Glucopyranoside 	C13H18O8	302.100167	NA	MeJP	NA	NA
+MJ027493	3,4-Dihydroxybenzyl alcohol; 4-O-?-D-Glucopyranoside 	C13H18O8	302.100167	NA	MeJP	NA	NA
+MJ027494	4-Hydroxymethyl-2-methyl-3-furancarboxylic acid; ?-L-Rhamnopyranosyl ester 	C13H18O8	302.100167	NA	MeJP	NA	NA
+MJ027495	Terizidone 	C14H14N4O4	302.101504	NA	MeJP	NA	NA
+MJ027496	1-Methyl-2-(methylthio)-1H-imidazole-4,5-dimethanol; Bis(methylcarbamate) 	C11H18N4O4S	302.104875	NA	MeJP	NA	NA
+C11259	Bicozamycin	C12H18N2O7	302.1114	NA	KEGG	NA	NA
+C15486	3''-Deamino-3''-oxonicotianamine	C12H18N2O7	302.1114	NA	KEGG	NA	NA
+C15487	(2R)-Hydroxy-carboxylate	C2H3O3R	302.1114	NA	KEGG	NA	NA
+MJ027497	Bicyclomycin 	C12H18N2O7	302.1114	NA	MeJP	NA	NA
+MJ027498	Mycosporin glutamicol; 5'-Carboxylic acid, 1'-amide, O-de-Me 	C12H18N2O7	302.1114	NA	MeJP	NA	NA
+MJ027499	Palythine; 3-N-(Carboxymethyl) 	C12H18N2O7	302.1114	NA	MeJP	NA	NA
+C09807	Odoratol	C17H18O5	302.1154	NA	KEGG	NA	NA
+C10495	Lotisoflavan	C17H18O5	302.1154	NA	KEGG	NA	NA
+C10507	Mucronulatol	C17H18O5	302.1154	NA	KEGG	NA	NA
+FL1D3CNS0001	2',4'-Dihydroxy-4,3'-dimethoxydihydrochalcone;Lusianin	C17H18O5	302.11542	168180-11-8	knapsack	NA	NA
+FL1DBBNS0001	2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone	C17H18O5	302.11542	75679-58-2	knapsack	NA	NA
+FL1DCANM0001	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone	C17H18O5	302.11542	72461-71-3	knapsack	NA	NA
+FL1DCBNS0001	Calomelanone	C17H18O5	302.11542	35241-54-4	knapsack	NA	NA
+FL1DDANS0001	Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone	C17H18O5	302.11542	42546-55-4	knapsack	NA	NA
+FL1DE9NS0001	Dihydropashanone	C17H18O5	302.11542	41997-41-5	knapsack	NA	NA
+FL1DE9NS0003	2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone	C17H18O5	302.11542	54299-22-8	knapsack	NA	NA
+FL1DHXNS0002	Odoratol	C17H18O5	302.11542	94943-12-1	knapsack	NA	NA
+FL1DQUNM0003	Ceratiolin	C17H18O5	302.11542	106869-61-8	knapsack	NA	NA
+FL1DRTNS0008	2,4'-Dihydroxy-4,6-dimethoxydihydrochalcone	C17H18O5	302.11542	151752-07-7	knapsack	NA	NA
+FL1DRTNS0009	4,4'-Dihydroxy-2,6-dimethoxydihydrochalcone	C17H18O5	302.11542	151752-08-8	knapsack	NA	NA
+FL63BBNS0001	Afzelechin 5,4'-dimethyl ether	C17H18O5	302.11542	67970-23-4	knapsack	NA	NA
+FL6FAFNS0001	Diffutidin	C17H18O5	302.11542	89289-92-9	knapsack	NA	NA
+FL6FDCNS0001	3',4'-Dihydroxy-5,7-dimethoxyflavan	C17H18O5	302.11542	53846-42-7	knapsack	NA	NA
+FLIC1LNS0001	(-)-Mucronulatol	C17H18O5	302.11542	20878-97-1	knapsack	NA	NA
+FLIC1LNS0010	Isomucronulatol;7,2'-Dihydroxy-3',4'-dimethoxyisoflavan	C17H18O5	302.11542	64474-51-7	knapsack	NA	NA
+FLIC1LNS0011	(+-)-Mucronulatol;7,3'-Dihydroxy-2',4'-dimethoxyisoflavan	C17H18O5	302.11542	20878-98-2	knapsack	NA	NA
+FLIC1LNS0012	Sphaerosin;Spherosin;7,4'-Dihydroxy-2',3'-dimethoxyisoflavan	C17H18O5	302.11542	56499-30-0	knapsack	NA	NA
+FLIC1LNS0013	(+-)-4',7-Dihydroxy-2',3'-dimethoxyisoflavan	C17H18O5	302.11542	52305-06-3	knapsack	NA	NA
+FLIC1LNS0015	Methoxyvestitol;(3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan	C17H18O5	302.11542	122587-86-4	knapsack	NA	NA
+FLICALNS0001	Lotisoflavan;2',4'-Dihydroxy-5,7-dimethoxyisoflavan	C17H18O5	302.11542	77370-02-6	knapsack	NA	NA
+FLICALNS0002	5-Methoxyvestitol;7,2'-Dihydroxy-5,4'-dimethoxyisoflavan	C17H18O5	302.11542	73354-16-2	knapsack	NA	NA
+MJ027500	1,3,4,5,6-Phenanthrenepentol; 9,10-Dihydro, 1,3,4-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027501	1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 4',4''-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027502	1-(2,4-Dihydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 2''-Me, 4'',5''-methylene ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027503	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol, 4'-Me, 3'',4''-methylene ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027504	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3',5-di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027505	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3'',4',4''-Tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027506	1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2'',4''-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027507	1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2'',6''-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027508	14(5?6)-Abeo-3,4,9-trihydroxy-2,5,9-furanoeremophilatrien-1-one; 4?-form, 3,9-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027509	14(5?6)-Abeo-3,9,14-trihydroxy-2,5,9-furanoeremophilatrien-1-one; 3,9-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027510	2',3',4',7-Tetrahydroxyisoflavan, 3',4'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027511	2',3',4',7-Tetrahydroxyisoflavan, 2',3'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027512	2',4',5,7-Tetrahydroxyisoflavan; 4',5-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027513	2',4',5,7-Tetrahydroxyisoflavan; 5,7-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027514	2',4',6,7-Tetrahydroxyisoflavan; 4',6-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027515	2',4',7,8-Tetrahydroxyisoflavan, 4',7-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027516	2',4',7,8-Tetrahydroxyisoflavan, 4',8-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027517	2,3,4,5,6-Phenanthrenepentol; 9,10-Dihydro, 2,3,4-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027518	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,4-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027519	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,6-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027520	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,4,7-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027521	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,6-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027522	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,7-tri-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027523	2,3-Dihydro-5,6,8-trihydroxy-2,3-dimethyl-4H-naphtho[2,3-b]pyran-4-one, 6,8-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027524	2,3-Dihydroxy-6-[2-(4-hydroxyphenyl)ethyl]benzoic acid; 2,4'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027525	2-Hydroxybenzyl alcohol; 2-Me ether, ? -O-(2,6-dimethoxybenzoyl) 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027526	3',4',5,7-Tetrahydroxyflavan, 3',4'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027527	3',4',5,7-Tetrahydroxyflavan, 3',7-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027528	3',4',5,7-Tetrahydroxyflavan, 5,7-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027529	3',7-Dihydroxy-2',4'-dimethoxyisoflavan 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027530	3,4',5,7-Tetrahydroxyflavan, 4',5-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027531	3,4-Dihydro-3,8,9-trihydroxy-6-methoxy-3,7-dimethyl-1(2H)-anthracenone 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027532	3-(4-Hydroxybenzyl)-3,4,7-chromantriol, 4-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027533	3-(4-Hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone; 3',4-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027534	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027535	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4'-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027536	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027537	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027538	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4,4'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027539	3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3',4'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027540	3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 4',6'-Di-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027541	5,6-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]benzoic acid; 4'-Me ether, Me ester 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027542	8,12-Epoxy-1-hydroxy-5,7,9,11-germacratetraen-15,6-olide, Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027543	8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027544	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027545	8-Hydroxy-3-oxo-1,4(15),11(13)-eudesmatrien-12,6-olide, Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027546	9,10-Dihydro-2,7-dihydroxy-1,3,5-trimethoxyphenanthrene 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027547	9-Hydroxy-3-oxo-1,4(15),11(13)-eudesmatrien-12,6-olide, Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027548	Alloimperatorin; 2',3'-Dihydro, 3'-hydroxy, Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027549	Asperxanthone; 2,3-Dihydro, 5-Me ether 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027550	Ceratiolin 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027551	Dihydrooroselol, O-Propanoyl 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027552	Eleutherin, 7-Methoxy 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027553	Funicin 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027554	Isomurralonginol; Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027555	Longipesin; 9-O-Ac 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027556	Melanoxin 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027557	Notholaenic acid 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027558	Oncocalyxone A 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027559	Oncocalyxone B 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027560	Onosone B 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027561	Proxicromil 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027562	Sequirin C 	C17H18O5	302.115423	NA	MeJP	NA	NA
+MJ027563	Spiroelliptin 	C17H18O5	302.115423	NA	MeJP	NA	NA
+C11179	Pyronine Y	C17H19N2O	302.1186	NA	KEGG	NA	NA
+3218	Casoxin	YPYY	302.1205	MH2+	Inhouse_peptide	NA	peptide
+MJ027564	Septorine 	C16H18N2O4	302.126657	NA	MeJP	NA	NA
+MJ027565	5,6-Epoxy-8-hydroxy-11-drimanoic acid, 3?-Chloro 	C15H23ClO4	302.128486	NA	MeJP	NA	NA
+3120	alpha-thymosin-1 K23 fr,:23-27	KEEAE	302.1285	MH2+	Inhouse_peptide	NA	peptide
+MJ027566	Eprovafen 	C18H22O2S	302.13405	NA	MeJP	NA	NA
+MJ027567	Boronolide; Tri-de-Ac, 5'?-acetoxy 	C14H22O7	302.136553	NA	MeJP	NA	NA
+PJ000215	HF 	C15H18N4O3	302.1379	NA	PeJP	NA	NA
+C17729	Nicofetamide	C20H18N2O	302.1419	NA	KEGG	NA	NA
+MJ027568	3-Pyridinecarboxamide; N'-(1,2-Diphenylethyl) 	C20H18N2O	302.141913	NA	MeJP	NA	NA
+MJ027569	Hedyocapitine 	C20H18N2O	302.141913	NA	MeJP	NA	NA
+MJ027570	Safinamide 	C17H19FN2O2	302.143056	NA	MeJP	NA	NA
+MJ027571	Neticonazole 	C17H22N2OS	302.145284	NA	MeJP	NA	NA
+MJ027572	Mycosporin glutamicol; Amide 	C13H22N2O6	302.147786	NA	MeJP	NA	NA
+MJ027573	Palythine-threonine; N3-Me 	C13H22N2O6	302.147786	NA	MeJP	NA	NA
+MJ027574	Palythine; 3-N-(2-Hydroxy-1-methylethyl) 	C13H22N2O6	302.147786	NA	MeJP	NA	NA
+HMDB00530	6-Ketoestriol	C18H22O4	302.151794	NA	HMDB2010	NA	NA
+HMDB05056	Enterodiol	C18H22O4	302.151794	NA	HMDB2010	NA	NA
+HMDB12270	Nordihydroguaiaretate	C18H22O4	302.151794	NA	HMDB2010	NA	NA
+C10302	Arnebinone	C18H22O4	302.1518	NA	KEGG	NA	NA
+C10719	Nordihydroguaiaretic acid	C18H22O4	302.1518	NA	KEGG	NA	NA
+C14243	3,3'-Dihydroxyhexestrol	C18H22O4	302.1518	NA	KEGG	NA	NA
+C18166	Enterodiol	C18H22O4	302.1518	NA	KEGG	NA	NA
+MJ027575	14(5?6)-Abeo-5,9-furanoeremophiladiene-9,14-diol, 9-Propanoyl 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027576	3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one, 3-Ketone, 13-Me ether 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027577	3,3',4,4'-Tetrahydroxylignan 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027578	4,4',9,9'-Tetrahydroxylignan 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027579	4,6-Tetradecadiene-8,10-diyne-1,12-diol, Di-Ac 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027580	5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 2'',3''-Dihydro, 1''-oxo 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027581	5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; ?1''-Isomer, 3''-hydroxy 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027582	6,12-Tetradecadiene-8,10-diyne-1,3-diol, Di-Ac 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027583	6-(Hydroxyacetyl)-2,2-dimethyl-2H-benzopyran; 2- (or 3)-Methylbutanoyl 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027584	6-Acetyl-2,3-dihydro-2,2-dimethyl-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 1'?-Hydroxy 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027585	6-Acetyl-2,3-dihydro-2,2-dimethyl-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; ?1'-Isomer (E-), 3'-hydroxy 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027586	6-Hydroxyfuranoeremophil-1(10)-en-9-one, Propanoyl 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027587	8-Acetyl-5,7-dihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027588	Arnebinone 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027589	Cannabiorcichromenic acid 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027590	Solanapyrone B; 1''-Aldehyde 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027591	Stoebenone 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027592	Terbucromil 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MJ027593	Verimol D 	C18H22O4	302.151809	NA	MeJP	NA	NA
+MetaCyc02696	nordihydroguaiaretate [nordihydroguaiaretic acid;]	C18H22O4	302.151809	NA	metacyc	NA	NA
+HMDB05056	Enterodiol	C18H22O4	302.15182	http://www.hmdb.ca/metabolites/HMDB05056	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB05056	Enterodiol	C18H22O4	302.15182	http://www.hmdb.ca/metabolites/HMDB05056	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB05056	Enterodiol	C18H22O4	302.15182	http://www.hmdb.ca/metabolites/HMDB05056	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00530	6-Ketoestriol	C18H22O4	302.15182	http://www.hmdb.ca/metabolites/HMDB00530	HMDB	NA	NA
+HMDB05056	Enterodiol	C18H22O4	302.15182	http://www.hmdb.ca/metabolites/HMDB05056	HMDB	NA	NA
+HMDB00530	6-Ketoestriol	C18H22O4	302.15182	HMDB00530	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05056	Enterodiol	C18H22O4	302.15182	HMDB05056	PFEM_hmdb_metabocards_official	NA	NA
+3469	analogue of human b-CN (54-59)	VGGIPY	302.1545	MH2+	Inhouse_peptide	NA	peptide
+MJ027594	Sulfoorientalol A 	C15H26O4S	302.15518	NA	MeJP	NA	NA
+PJ000216	GVQ 	C12H22N4O5	302.159	NA	PeJP	NA	NA
+2723	erythromycin inhibitor	MSLRV	302.1627	MH2+	Inhouse_peptide	NA	peptide
+MJ027595	1-Aminopyrrolizidine, N1-(4-Methoxy-E-cinnamoyl), N4-oxide 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027596	1-Aminopyrrolizidine, N1-(4-Methoxy-Z-cinnamoyl), N4-oxide 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027597	Baptifoline; Ac 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027598	Emivirine 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027599	Piriferine; 2'-Hydroxy 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027600	Pseudophrynaminol, ar-Hydroxy, 4'-carboxylic acid, Me ester 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027601	Trichostatin A 	C17H22N2O3	302.163042	NA	MeJP	NA	NA
+MJ027602	4,19-Docosadiene-2,9,11,13,21-pentayn-1-ol 	C22H22O	302.167065	NA	MeJP	NA	NA
+MJ027603	N2-Arginylglutamine; L-L-form 	C11H22N6O4	302.170253	NA	MeJP	NA	NA
+PJ000217	QR 	C11H22N6O4	302.1703	NA	PeJP	NA	NA
+C13870	Tributyrin	C15H26O6	302.1729	NA	KEGG	NA	NA
+MJ027604	Glycerol tributanoate 	C15H26O6	302.172938	NA	MeJP	NA	NA
+MJ027605	Iditol, 1,2;3,4;5,6-Tri-O-isopropylidene 	C15H26O6	302.172938	NA	MeJP	NA	NA
+MJ027606	Acanthoine 	C16H22N4O2	302.174275	NA	MeJP	NA	NA
+MJ027607	Aminopropylon 	C16H22N4O2	302.174275	NA	MeJP	NA	NA
+MJ027608	Aurantiamine 	C16H22N4O2	302.174275	NA	MeJP	NA	NA
+MJ027609	Viridamine 	C16H22N4O2	302.174275	NA	MeJP	NA	NA
+MJ027610	Xanthine; 7H-form, 1,3-Bis(3-methyl-2-butenyl), 7-Me 	C16H22N4O2	302.174275	NA	MeJP	NA	NA
+2728	erythromycin inhibitor	MILKT	302.1747	MH2+	Inhouse_peptide	NA	peptide
+3734	NA	RKSSK	302.1765	MH2+	Inhouse_peptide	NA	peptide
+MJ027611	Tandamine 	C18H26N2S	302.181669	NA	MeJP	NA	NA
+MJ027612	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 3-Ac 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027613	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 8-Ac 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027614	1-Hydroxy-3-nor-15-beyerene-2,12-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027615	11,17-Dihydroxyandrosta-1,4-dien-3-one 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027616	16-Hydroxyandrost-4-ene-3,17-dione; 16?-form 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027617	17-Hydroxyandrost-4-ene-3,11-dione; 17?-form 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027618	18-Nor-3,8,11,13-abietatetraene-3,14,15-triol 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027619	2,9-Heptadecadiene-4,6-diyne-1,8-diol, 1-Ac 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027620	2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027621	2-Alkyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furans; 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027622	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxybenzoic acid, Me ether, Me ester 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027623	3-Hydroxy-19-nor-15-beyerene-2,12-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027624	3-Hydroxy-8,10-dimethyl-11-phenyl-5,8-undecadienoic acid 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027625	3-Hydroxy-9,11-eremophiladien-8-one, O-(2-Methyl-2-propenoyl) 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027626	4,15-Dihydroxy-18-nor-8,11,13-abietatrien-7-one 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027627	4-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxybenzoic acid; Me ether, Me ester 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027628	4-(4-Nonylphenyl)-4-oxo-2-butenoic acid 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027629	4-Acetylamphilectolide 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027630	4-Hydroxy-18-nor-8,11,13-abietatrien-7-one; 4-Epimer, 4-hydroperoxide 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027631	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ether, Me ester 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027632	4-Hydroxyandrost-4-ene-3,17-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027633	9,16-Heptadecadiene-4,6-diyn-3-ol, 9,10-Epoxide, Ac 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027634	Acalycixeniolide B; 6?,7?-Epoxide 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027635	Allethrin 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027636	Auroglaucin; 1',2',3',4'-Tetrahydro 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027637	Auroglaucin; 3',4',5',6'-Tetrahydro 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027638	Cannabielsoin A; 3-Propyl analogue 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027639	Estra-1,3,5(10)-triene-3,16,17-triol, 3-Me ether 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027640	Estra-1,3,5(10)-triene-3,16,17-triol, 17-Me ether 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027641	Estra-1,3,5(10)-triene-3,16,17-triol, 3-Me ether 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027642	Furanoeremophilan-3-ol, 2-Methylpropenoyl 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027643	Jatrowedione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027644	Ocimepyrone 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027645	Panaxydol; Ac 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027646	Paradol; [8]Paradol, 1,2,4,5-Tetradehydro 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027647	Pellialactone 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027648	Testololactone 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027649	Villiramulin A 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027650	p-Menth-1-ene-8,9-diol, 9-(3-Phenylpropanoyl) 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027651	11beta-Hydroxyandrost-4-ene-3,17-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027652	16alpha-Hydroxyandrost-4-ene-3,17-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027653	19-Hydroxyandrost-4-ene-3,17-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MJ027654	7alpha-Hydroxyandrost-4-ene-3,17-dione 	C19H26O3	302.188194	NA	MeJP	NA	NA
+MetaCyc02697	testololactone [13,17-secoandrost-4-en-17-oic acid, 13-hydroxy-3-oxo-, &delta;- lactone;D-homo-17&alpha;-oxaandrost-4-ene-3,17-dione;17&alpha;-oxa-D-homoandrost-4-ene-3,17-dione;hydrotestolactone;3-oxo-13,17-secoandrost-4-ene-17,13&alpha;-lactone;]	C19H26O3	302.188195	4416-57-3	metacyc	NA	NA
+MetaCyc02698	3-oxo-13,17-secoandrost-4-ene-17,13&alpha;-lactone [Testololactone;]	C19H26O3	302.188195	NA	metacyc	NA	NA
+MetaCyc02699	2-methoxyestradiol [2-methoxy-estradiol-17b;]	C19H26O3	302.188195	NA	metacyc	NA	NA
+MetaCyc02700	19-oxo-testosterone [19-aldehyde-testosterone;]	C19H26O3	302.188195	NA	metacyc	NA	NA
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00405	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00405	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03955	19-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB03955	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00405	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00405	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00380	2-Hydroxyestradiol-3-methylether	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00380	HMDB	NA	NA
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00405	HMDB	NA	NA
+HMDB03955	19-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB03955	HMDB	NA	NA
+HMDB06771	7alpha-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB06771	HMDB	NA	NA
+HMDB06773	 11beta-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB06773	HMDB	NA	NA
+HMDB06774	16alpha-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB06774	HMDB	NA	NA
+C04676	Testololactone	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05140	16alpha-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05284	11beta-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05290	19-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05295	19-Oxotestosterone	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05296	7alpha-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05302	2-Methoxyestradiol-17beta	C19H26O3	302.1882	NA	KEGG	NA	NA
+C05305	Ferricytochrome b-561	C19H26O3	302.1882	NA	KEGG	NA	NA
+C14256	11-Keto-testosterone	C19H26O3	302.1882	NA	KEGG	NA	NA
+C14269	5alpha-Androstane-3,11,17-trione	C19H26O3	302.1882	NA	KEGG	NA	NA
+C14337	Bioallethrin	C19H26O3	302.1882	NA	KEGG	NA	NA
+C14593	Epimestrol	C19H26O3	302.1882	NA	KEGG	NA	NA
+C14907	7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-one	C19H26O3	302.1882	NA	KEGG	NA	NA
+C15072	6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-one	C19H26O3	302.1882	NA	KEGG	NA	NA
+C15103	11alpha,17beta-Dihydroxy-1,4-androstadien-3-one	C19H26O3	302.1882	NA	KEGG	NA	NA
+C15216	3-Methoxyestriol	C19H26O3	302.1882	NA	KEGG	NA	NA
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB00405	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03955	19-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	http://www.hmdb.ca/metabolites/HMDB03955	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00380	2-Hydroxyestradiol-3-methylether	C19H26O3	302.1882	HMDB00380	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.1882	HMDB00405	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03955	19-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	HMDB03955	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06771	7alpha-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	HMDB06771	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06773	 11beta-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	HMDB06773	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06774	16alpha-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.1882	HMDB06774	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00380	2-Hydroxyestradiol-3-methyl ether	C19H26O3	302.188202	NA	HMDB2010	NA	NA
+HMDB00405	2-Methoxyestradiol	C19H26O3	302.188202	NA	HMDB2010	NA	NA
+HMDB03955	19-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.188202	NA	HMDB2010	NA	NA
+HMDB06771	7a-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.188202	NA	HMDB2010	NA	NA
+HMDB06773	11b-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.188202	NA	HMDB2010	NA	NA
+HMDB06774	16a-Hydroxyandrost-4-ene-3,17-dione	C19H26O3	302.188202	NA	HMDB2010	NA	NA
+7586	ACE inhibitor	KR	302.195	antioxidative	Inhouse_peptide	NA	peptide
+PJ000218	GVK 	C13H26N4O4	302.1954	NA	PeJP	NA	NA
+MJ027655	Sannamycin K 	C13H26N4O4	302.195405	NA	MeJP	NA	NA
+MJ027656	1,4-Butanediamine; N-E-Cinnamoyl, N'-(2-methylbutanoyl) 	C18H26N2O2	302.199428	NA	MeJP	NA	NA
+MJ027657	Benzastatin F 	C18H26N2O2	302.199428	NA	MeJP	NA	NA
+PJ000219	KR 	C12H26N6O3	302.2066	NA	PeJP	NA	NA
+MJ027658	2,16-Dihydroxy-9-oxohexadecanoic acid 	C16H30O5	302.209324	NA	MeJP	NA	NA
+MJ027659	7-Hydroxyhexadecanedioic acid 	C16H30O5	302.209324	NA	MeJP	NA	NA
+MJ027660	8-Hydroxyhexadecanedioic acid 	C16H30O5	302.209324	NA	MeJP	NA	NA
+MJ027661	Koninginin G 	C16H30O5	302.209324	NA	MeJP	NA	NA
+MJ027662	Alniditan 	C17H26N4O	302.210661	NA	MeJP	NA	NA
+MJ027663	Emedastine 	C17H26N4O	302.210661	NA	MeJP	NA	NA
+C07785	Emedastine	C17H26N4O	302.2107	NA	KEGG	NA	NA
+C07786	Transferred to D00670	C17H26N4O	302.2107	NA	KEGG	NA	NA
+C07787	Transferred to D00671	C17H26N4O	302.2107	NA	KEGG	NA	NA
+C07788	Transferred to D00672	C17H26N4O	302.2107	NA	KEGG	NA	NA
+HMDB01999	Eicosapentaenoic acid	C20H30O2	302.224579	NA	HMDB2010	NA	NA
+HMDB03598	Retinyl ester	C20H30O2	302.224579	NA	HMDB2010	NA	NA
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01852	Retinoic acid	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB01852	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01999	Eicosapentaenoic acid	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB01999	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03598	Retinyl ester	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB03598	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01852	Retinoic acid	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB01852	HMDB	NA	NA
+HMDB01999	Eicosapentaenoic acid	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB01999	HMDB	NA	NA
+HMDB03598	Retinyl ester	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB03598	HMDB	NA	NA
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	HMDB	NA	NA
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	HMDB	NA	NA
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	Inhouse_PFEM	NA	NA
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	Inhouse_PFEM	NA	NA
+MJ027664	Abietate 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027665	1(10),13-Halimadien-15,16-olide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027666	1(10),15-Rosadien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027667	1(10),4-Cadinadien-9-ol; 9?-form, Angeloyl 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027668	1(15),7,9-Dolastatriene-4,14-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027669	1(19),6,13-Xenicatrien-17,18-olide; 10?H-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027670	1(9),6,13-Xenicatrien-19,18-olide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027671	1,20-Epoxy-1,3(20),6,10,14-phytapentaen-13-one, 13S-Alcohol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027672	1,3(15),6-Humulatrien-14-ol; Angeloyl 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027673	1,3,7,11-Cembratetraen-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027674	1,3,7,11-Cembratetraen-20-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027675	1,3-Dolastadiene-9,13-diol; 5,14-Diepimer, 13-ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027676	1,6,13-Xenicatrien-18,19-olide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027677	1-Hydroxy-15-beyeren-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027678	10,11-Epoxy-1,3(20),6,14-phytatetraen-13-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027679	10-Hydroxy-11-cyathen-13-one; 10?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027680	10-Hydroxy-13(15),17-spatadien-12-al 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027681	10-Hydroxy-15-rosen-19-oic acid; ent-10?-form, 19 ?10 Lactone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027682	10-Hydroxy-3,7,11,15-cembratetraen-5-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027683	11,16-Epoxy-3-kauranol, 3-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027684	11-Hydroxy-5,15-rosadien-7-one; 11?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027685	11-Hydroxy-8(14),15-isopimaradien-7-one; 11?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027686	11-Hydroxy-8,15-isopimaradien-7-one; 11?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027687	12,15-Cleistanthadien-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027688	12,15-Epoxy-8(17),12,14-labdatriene; ent-form, 7?-Hydroxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027689	12-Hydroxy-6,9(11)-abietadien-14-one; 12?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027690	12-Hydroxy-8(14),15-pimaradien-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027691	12-Hydroxy-8,15-isopimaradien-7-one; 12?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027692	12-Isocopalene-15,16-dial 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027693	12-Spongien-16-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027694	13(17),15-Cleistanthadien-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027695	13-Atisene-3,16-diol, 3-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027696	13-Villanoven-19-ol; ent-form, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027697	14,15-Epoxy-8(17),12-labdadien-16-al 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027698	14-Hydroxy-16-kauren-15-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027699	14-Serrulatene-8,18-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027700	15,16-Epoxy-12-cleistathen-11-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027701	15,16-Epoxy-13(16),14-clerodadien-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027702	15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027703	15,16-Epoxy-3,13(16),14-clerodatrien-6-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027704	15,16-Epoxy-3-kauranone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027705	15,16-Epoxy-4(18),13(16),14-clerodatrien-3-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027706	15,16-Epoxy-7,13(16),14-labdatrien-17-ol; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027707	15,16-Epoxy-8(17),11,13-labdatrien-16-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027708	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Alcohol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027709	15,16-Epoxy-8(17),13(16),14-labdatrien-2-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027710	15,16-Epoxy-8(17),13(16),14-labdatrien-7-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027711	15,16-Epoxy-8-isopimaren-7-one; 15?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027712	15-Beyeren-1-ol, 1-Ketone, 15?,16?-epoxide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027713	15-Beyeren-17-ol; ent-form, 17-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027714	15-Beyeren-18-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027715	15-Beyeren-19-ol; ent-form, Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027716	15-Beyeren-3-ol, 15?,16?-Epoxide, 3-ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027717	15-Beyerene-3,12-diol, 12-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027718	15-Cupressen-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027719	15-Hydroxy-3,11,13-prenyleudesmatrien-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027720	15-Hydroxy-8(17),11,13-labdatrien-16-al 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027721	15-Kauren-17-ol; ent-form, 17-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027722	15-Kauren-18-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027723	15-Kauren-19-al; ent-form, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027724	15-Kaurene-7,18-diol, 7-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027725	16-Atisen-19-ol; ent-form, Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027726	16-Kauren-19-ol; ent-form, 19-Aldehyde, 16?,17-epoxide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027727	16-Kauren-19-ol; ent-form, 19-Aldehyde, 16?,17-epoxide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027728	16-Kauren-19-ol; ent-form, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027729	16-Kaurene-11,15-diol, 15-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027730	16-Kaurene-13,19-diol; ent-form, 19-Aldehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027731	16-Kaurene-15,18-diol, 15-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027732	16-Kaurene-3,15-diol, 15-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027733	16-Kaurene-7,15-diol, 15-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027734	17,19-Kauranediol, 17,19-Dialdehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027735	17-Hydroxy-15-beyeren-1-one; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027736	17-Hydroxy-17-methylandrost-4-en-3-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027737	17-Hydroxy-8(14),13(15)-abietadien-16-al; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027738	18-Hydroxy-1(9),6,13-xenicatrien-19-al; 18-Aldehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027739	18-Trachylobanol; ent-form, 18-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027740	19-Helvifulvanol; ent-form, 19-Carboxlylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027741	19-Hydroxy-15-beyeren-1-one; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027742	19-Hydroxy-8(14),15-isopimaradien-7-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027743	19-Trachylobanoic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027744	19-Vouacapanol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027745	2,12-Kauranedione 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027746	2,16-Epoxy-1(15),3,7,11-cembratetraene, (3S,4R)-Epoxide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027747	2,16-Epoxy-1(15),3,8(19),11-cembratetraen-7-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027748	2,16:11,12-Diepoxy-1(15),3,7-cembratriene 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027749	2,16:7,8-Diepoxy-1(15),3,11-cembratriene 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027750	2,3-Epoxy-5,15-rosadien-12-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027751	2,4(18),13-Clerodatrien-15-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027752	2,4,7,11-Cembratetraen-20-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027753	2,6,9-Humulatrien-1-ol, Angeloyl 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027754	2-Bornanol, O-(2E,6Z,8E-Decatrienoyl) 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027755	2-Hydroxy-12,15-cassadien-11-one; 2?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027756	2-Hydroxy-15-beyeren-1-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027757	2-Hydroxy-8(14),15-isopimaradien-7-one; 2?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027758	3,12,14-Clerodatrien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027759	3,12,14-Clerodatrien-20-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027760	3,13(16),14-Clerodatrien-17-ol; ent-form, 17-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027761	3,13(16),14-Clerodatrien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027762	3,13-Clerodadien-15,16-olide; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027763	3,13-Clerodadiene-15,17-diol, 15,17-Dialdehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027764	3,15-Dihydroxy-7,13-labdadien-2-one, 15-Aldehyde, 3-deoxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027765	3,15-Erythroxyladien-18-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027766	3,15-Kauranedione 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027767	3,4-Epoxy-13(15),16,18-sphenolobatrien-5-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027768	3,4-Epoxy-13,15,17-sphenolobatrien-5-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027769	3,4-Epoxy-15-valparen-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027770	3,4-Epoxy-7,11,15(17)-cembratrien-16-ol, 16-Aldehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027771	3,4-Epoxy-7,11,15-cembratrien-13-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027772	3,4-Epoxy-7,12(18)-dolabelladien-13-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027773	3,4-Seco-4(18),8(17),12,14-labdatetraen-3-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027774	3,4-Seco-4(18)-trachyloben-3-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027775	3,7,11,15(17)-Cembratetraen-16-ol, 16-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027776	3,7,11,15-Cembratetraen-14-ol, 11,12-Epoxide, 14-ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027777	3,7,11,15-Cembratetraen-14-ol, 3?,4?-Epoxide, 14-ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027778	3,7,11,15-Cembratetraen-19-ol; Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027779	3,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027780	3,7,12(18)-Dolabellatrien-13-one, 7?,8?-Epoxide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027781	3,7,18-Dolabellatrien-14-one, 3?,4?-Epoxide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027782	3,7,18-Dolabellatrien-17-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027783	3,7-Dolabelladiene-2,13-dione 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027784	3-Hydroxy-1(10),15-rosadien-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027785	3-Hydroxy-1,4,6,10,14-phytapentaen-13-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027786	3-Hydroxy-1,4,6,11,14-phytapentaen-13-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027787	3-Hydroxy-15-beyeren-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027788	3-Hydroxy-16-kauren-2-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027789	3-Hydroxy-8-kempen-6-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027790	3-Sphenolobene-5,16-dione; 17,18-Didehydro 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027791	4(18),13-Clerodadien-15,16-olide; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027792	4(18),8,12-Eunicellatrien-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027793	5(10),13-Halimadien-15,16-olide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027794	5(4?19)-Abeo-15,16-epoxy-3,13(16),14-clerodatrien-5-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027795	5,7,9,14,17-Eicosapentaenoic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027796	5,8,10,12,14-Eicosapentaenoic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027797	5,8,11,14,17-Eicosapentaenoic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027798	5-Vouacapenol; 5?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027799	6-Hydroxy-11,12-seco-3,7,11-dolabellatrien-12-one, 6-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027800	6-Hydroxy-3,7,12-dolabellatrien-14-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027801	6-Vouacapanol; 6?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027802	7,12,14-Labdatrien-17-ol, Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027803	7,13-Abietadien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027804	7,13-Abietadien-19-ol; Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027805	7,13-Labdadien-15,16-olide; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027806	7,13-Labdadien-16,15-olide; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027807	7,15-Isopimaradien-17-ol, 17-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027808	7,15-Isopimaradien-18-ol; 18-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027809	7,15-Isopimaradien-19-ol, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027810	7,15-Pimaradien-19-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027811	7,16-Epoxy-1(15),8-dolastadien-14-ol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027812	7,17-Sacculatadien-12,11-olide 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027813	7,17-Sacculatadiene-11,12-dial; 9?H-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027814	7,17-Sacculatadiene-11,12-dial; 9àH-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027815	7,8-Epoxy-1(15),3,11-cembratrien-16,2-olide, 16-Deoxo 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027816	7,8-Epoxy-3,12-dolabelladien-14-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027817	7,8-Epoxy-4-basmen-6-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027818	7-Dolabellene-2,13-dione; 12,18-Didehydro 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027819	7-Hydroxy-1,3,5,10,14-phytapentaen-13-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027820	7-Hydroxy-8,13-abietadien-19-al; 7?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027821	7-Hydroxy-8,15-pimaradien-19-oic acid, 7-Ketone, 19-alcohol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027822	8(14),12-Abietadien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027823	8(14),13(15)-Abietadien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027824	8(14),15-Isopimaradien-18-ol; 18-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027825	8(14),15-Isopimaradien-19-ol; 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027826	8(14),15-Isopimaradiene-1,9-diol, 1-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027827	8(14),15-Isopimaradiene-2,18-diol; ent-form, 2-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027828	8(14),15-Isopimaradiene-3,12-diol, 12-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027829	8(14),15-Isopimaradiene-3,7-diol, 3-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027830	8(14),15-Isopimaradiene-3,7-diol, 7-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027831	8(14),15-Pimaradien-18-al; 18-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027832	8(14),15-Pimaradien-19-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027833	8(14),15-Pimaradiene-3,12-diol, 12-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027834	8(14),15-Pimaradiene-3,12-diol, 3-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027835	8(17),12,14-Labdatrien-18-ol, 18-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027836	8(17),12,14-Labdatrien-19-ol, Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027837	8(17),12,14-Labdatrien-19-ol, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027838	8(17),12,14-Labdatriene-3,19-diol, 19-Aldehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027839	8(17),12-Labdadiene-15,16-diol, 15,16-Dialdehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027840	8(17),13(16),14-Labdatrien-18-oic acid; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027841	8(17),13(16),14-Labdatrien-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027842	8(17),13-Gnaphaladien-15-ol, Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027843	8(17),13-Labdadien-15,16-olide; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027844	8(17),13-Labdadien-16,15-olide; ent-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027845	8(17),13-Labdadiene-2,15-diol, 15-Aldehyde, 2-ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027846	8,11,13-Abietatrien-12-ol; 5?-form, 14-Hydroxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027847	8,11,13-Abietatrien-12-ol; 5?-form, 15-Hydroxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027848	8,11,13-Abietatrien-12-ol; 5?-form, 16-Hydroxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027849	8,11,13-Abietatriene-1,18-diol; 1?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027850	8,11,13-Abietatriene-11,14-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027851	8,11,13-Abietatriene-12,18-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027852	8,11,13-Abietatriene-12,19-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027853	8,11,13-Abietatriene-12,20-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027854	8,11,13-Abietatriene-15,18-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027855	8,11,13-Abietatriene-15,19-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027856	8,11,13-Abietatriene-2,12-diol; 2?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027857	8,11,13-Abietatriene-2,19-diol; 2?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027858	8,11,13-Abietatriene-3,12-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027859	8,11,13-Abietatriene-3,14-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027860	8,11,13-Abietatriene-3,19-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027861	8,11,13-Abietatriene-6,12-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027862	8,11,13-Abietatriene-7,15-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027863	8,11,13-Abietatriene-7,18-diol; 7?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027864	8,11,13-Icetexatriene-10,12-diol; 10?-form 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027865	8,11,13-Totaratriene-13,19-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027866	8,11,13-Totaratriene-3,13-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027867	8,11,13-Totaratriene-7,13-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027868	8,11,14-Eicosatrien-5-ynoic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027869	8,12:15,16-Diepoxy-13(16),14-labdadiene 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027870	8,13-Abietadien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027871	8,13-Abietadien-19-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027872	8,15-Isopimaradien-18-oic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027873	8,15-Isopimaradiene-7,18-diol, 7-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027874	8,17-Sacculatadiene-11,13-dial 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027875	9(11),15-Isopimaradien-19-ol; ent-form, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027876	9(11),15-Isopimaradiene-3,19-diol, 3-Ketone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027877	9(11),15-Pimaradien-19-ol; ent-form, 19-Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027878	9(11),16-Kauradiene-6,15-diol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027879	9,10-Seco-1(10),8,13-labdatrien-15,16-diol, 15,16-Dialdehyde 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027880	9-Hydroxy-1,3-dolastadien-6-one 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027881	Abeoanticopalic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027882	Ambliofuran; 12-Hydroxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027883	Asperketal D; 13,14-Didehydro 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027884	Bicyclogermacren-3-ol, Angeloyl 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027885	Bisocimenone; 14,15-Dihydro 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027886	Candicopimaric acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027887	Coraxeniolide A 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027888	Dictyol A 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027889	Dilopholone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027890	Divarinone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027891	Epoxydilopholone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027892	Euphorhylonal A 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027893	Focardin 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027894	Luffarin W 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027895	Metenolone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027896	Metogest 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027897	Mibolerone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027898	Neodenudatenone A 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027899	Norethandrolone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027900	Obtunone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027901	Oligandrol; 3,4-Didehydro 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027902	Oxendolone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027903	Oxogestone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027904	Pachylactone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027905	Polyrhaphin D 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027906	Sanadaol 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027907	Stenbolone 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027908	Strobol; Carboxylic acid 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027909	Tricyclodictyofuran A 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MJ027910	Yuexiandajisu A; 5-Deoxy 	C20H30O2	302.22458	NA	MeJP	NA	NA
+MetaCyc02701	oryzalexin A []	C20H30O2	302.22458	NA	metacyc	NA	NA
+MetaCyc02702	(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate []	C20H30O2	302.22458	NA	metacyc	NA	NA
+MetaCyc02703	(5Z,7E,9E,14Z,17Z) eicosapentaenoate []	C20H30O2	302.22458	NA	metacyc	NA	NA
+MetaCyc02704	ent-kaurenoate [ent-kaur-16-en-19-oate;ent-kaurenoic acid;]	C20H30O2	302.22458	NA	metacyc	NA	NA
+HMDB01852	Retinoic acid	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB01852	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01999	Eicosapentaenoic acid	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB01999	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03598	Retinyl ester	C20H30O2	302.22458	http://www.hmdb.ca/metabolites/HMDB03598	PFEM_hmdb_metabocards_blood	NA	blood
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR086	Retinyl ester	C20H30O2	302.22458	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.22458	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01852	Retinoic acid	C20H30O2	302.22458	HMDB01852	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01999	Eicosapentaenoic acid	C20H30O2	302.22458	HMDB01999	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03598	Retinyl ester	C20H30O2	302.22458	HMDB03598	PFEM_hmdb_metabocards_official	NA	NA
+EUR086	Retinyl ester	C20H30O2	302.2246	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.2246	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR086	Retinyl ester	C20H30O2	302.2246	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.2246	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR086	Retinyl ester	C20H30O2	302.2246	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.2246	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR086	Retinyl ester	C20H30O2	302.2246	Wishlist	Inhousejuil11	NA	NA
+EUR129	n-3eicosapentaenoicacid (C20:5)	C20H30O2	302.2246	Wishlist	Inhousejuil11	NA	NA
+C06087	Abietate	C20H30O2	302.2246	NA	KEGG	NA	NA
+C06428	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C07198	Methyltestosterone	C20H30O2	302.2246	NA	KEGG	NA	NA
+C09118	Isopimaric acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C09148	Oryzalexin A	C20H30O2	302.2246	NA	KEGG	NA	NA
+C09159	(+)-Pimaric acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C11874	Kaur-16-en-18-oic acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C11888	L-Pimaric acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C11889	Neoabietic acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C12077	Palustric acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C12083	(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid	C20H30O2	302.2246	NA	KEGG	NA	NA
+C14255	Mibolerone	C20H30O2	302.2246	NA	KEGG	NA	NA
+C14490	Stenbolone	C20H30O2	302.2246	NA	KEGG	NA	NA
+C14588	17beta-Hydroxy-7alpha-methylandrost-4-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C14890	17beta-Hydroxy-6beta-methylandrost-4-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15003	17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15008	1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15017	17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15036	2alpha-Methyl-5alpha-androstane-3,17-dione	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15070	17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15184	17beta-Hydroxy-6alpha-methylandrost-4-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15188	19-Nor-5alpha-pregnane-3,20-dione	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15259	17beta-Hydroxy-2alpha,17-dimethylestr-4-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15318	17abeta-Hydroxy-D-homoandrost-4-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15412	17beta-Hydroxy-4-methylandrost-4-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+C15460	17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-one	C20H30O2	302.2246	NA	KEGG	NA	NA
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR503	Acide eicosapentaenoique 20 :5 F1	NA	302.225125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR495	8(9)-EET F2	NA	302.226525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR495	8(9)-EET F2	NA	302.226525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR495	8(9)-EET F2	NA	302.226525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR495	8(9)-EET F2	NA	302.226525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR495	8(9)-EET F2	F2	302.226525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0716	2,6 dimethylheptanoyl carnitine [(M+H)]+ (13C)	C1513CH32NO4	302.228075	C18rt(min)=8.06 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0717	Nonanoylcarnitine [(M+H)]+ (13C)	C1513CH32NO4	302.228075	C18rt(min)=8.18 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0716	2,6 dimethylheptanoyl carnitine [(M+H)]+ (13C)	C1513CH32NO4	302.228075	C18rt(min)=8.06 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0717	Nonanoylcarnitine [(M+H)]+ (13C)	C1513CH32NO4	302.228075	C18rt(min)=8.18 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR491	19-HETE F2	NA	302.229125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR491	19-HETE F2	NA	302.229125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR491	19-HETE F2	NA	302.229125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR491	19-HETE F2	NA	302.229125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR491	19-HETE F2	F2	302.229125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ027911	Theonelladine A; 3',4'-Dihydro, 9',10'-didehydro(Z), oxime 	C19H30N2O	302.235813	NA	MeJP	NA	NA
+MJ027912	Theonelladine A; Oxime 	C19H30N2O	302.235813	NA	MeJP	NA	NA
+HMDB11530	MG(0:0/14:0/0:0)	C17H34O4	302.245697	NA	HMDB2010	NA	NA
+HMDB11561	MG(14:0/0:0/0:0)	C17H34O4	302.245697	NA	HMDB2010	NA	NA
+MJ027913	10,17-Dihydroxyheptadecanoic acid 	C17H34O4	302.245709	NA	MeJP	NA	NA
+MJ027914	8,16-Dihydroxyhexadecanoic acid, Me ester 	C17H34O4	302.245709	NA	MeJP	NA	NA
+MJ027915	Glycerol 1-alkanoates; Glycerol 1-tetradecanoate 	C17H34O4	302.245709	NA	MeJP	NA	NA
+MJ027916	1,15-Valparadien-3-ol, Me ether 	C21H34O	302.260965	NA	MeJP	NA	NA
+MJ027917	1,15-Valparadien-3-ol; 3?-form, Me ether 	C21H34O	302.260965	NA	MeJP	NA	NA
+MJ027918	2,15-Valparadien-1-ol, Me ether 	C21H34O	302.260965	NA	MeJP	NA	NA
+MJ027919	2,4,7,11-Cembratetraen-10-ol, Me ether 	C21H34O	302.260965	NA	MeJP	NA	NA
+MJ027920	3-Pentadecylphenol; 10,11?-Didehydro 	C21H34O	302.260965	NA	MeJP	NA	NA
+MJ027921	8,10,13(15),16-Lobatetraen-18-ol; Me ether 	C21H34O	302.260965	NA	MeJP	NA	NA
+MetaCyc02705	pregnan-21-al [2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]acetaldehyde;]	C21H34O1	302.260966	NA	metacyc	NA	NA
+C00891	Pregnan-21-al	C21H34O	302.261	NA	KEGG	NA	NA
+C10785	(15:1)-Cardanol	C21H34O	302.261	NA	KEGG	NA	NA
+C14482	3beta-Hydroxypregn-5-ene	C21H34O	302.261	NA	KEGG	NA	NA
+MJ027922	Theonelladine A; N-Me 	C20H34N2	302.272199	NA	MeJP	NA	NA
+MJ027923	2-Methyl-2-phenylpentadecane 	C22H38	302.297351	NA	MeJP	NA	NA
+MJ027924	20,21,22,23,24,25,26,27-Octanordammarane 	C22H38	302.297351	NA	MeJP	NA	NA
+MJ027925	3,15-Docosadien-1-yne 	C22H38	302.297351	NA	MeJP	NA	NA
+MJ027926	Caldohexamine 	C15H38N6	302.315795	NA	MeJP	NA	NA
+2715	erythromycin inhibitor	MINQT	302.63615	MH2+	Inhouse_peptide	NA	peptide
+MJ027927	(3,5-Dibromo-4-hydroxyphenyl)acetic acid; Me ether, nitrile 	C9H7Br2NO	302.889439	NA	MeJP	NA	NA
+MJ027928	5,7-Dibromo-6-methoxy-1H-indole 	C9H7Br2NO	302.889439	NA	MeJP	NA	NA
+MJ027929	6-Bromo-1,2-dihydro-2,2-bis(methylthio)-3H-indol-3-one 	C10H10BrNOS2	302.938717	NA	MeJP	NA	NA
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR241	Thiamine pyrophosphate F3	NA	302.977875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR241	Thiamine pyrophosphate F3	NA	302.977875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR241	Thiamine pyrophosphate F3	NA	302.977875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR241	Thiamine pyrophosphate F3	NA	302.977875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR241	Thiamin pyrophosphate F3	F3	302.977875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C14206	M1	C12H11Cl2NO4	303.0065	NA	KEGG	NA	NA
+MJ027930	3-(Aminomethyl)-5,6,7,8-tetrahydro-1-iodo-2-naphthalenol 	C11H14INO	303.012007	NA	MeJP	NA	NA
+MJ027931	Nedaplatin 	C2H8N2O3Pt	303.018266	NA	MeJP	NA	NA
+C12862	Nedaplatin	C2H8N2O3Pt	303.0183	NA	KEGG	NA	NA
+C12863	Transferred to D01417	C2H8N2O3Pt	303.0183	NA	KEGG	NA	NA
+MJ027932	Glyclopyramide 	C11H14ClN3O3S	303.044439	NA	MeJP	NA	NA
+MJ027933	Iofetamine 	C12H18IN	303.048393	NA	MeJP	NA	NA
+FL7AECNS0001	6-Hydroxycyanidin	C15H11O7	303.05047	42529-06-6	knapsack	NA	NA
+MJ027934	Delphinidin 	C15H11O7	303.050477	NA	MeJP	NA	NA
+MetaCyc02706	delphinidin [delfinidin;]	C15H11O7	303.050478	NA	metacyc	NA	NA
+C05908	Delphinidin	C15H11O7	303.0505	NA	KEGG	NA	NA
+C08646	6-Hydroxycyanidin	C15H11O7	303.0505	NA	KEGG	NA	NA
+MJ027935	1-(4-Methylphenylsulfonyl)-2-(4-nitrophenyl)ethylene 	C15H13NO4S	303.056528	NA	MeJP	NA	NA
+MJ027936	Phidolopin; N1,N3-Di-de-Me 	C12H9N5O5	303.060368	NA	MeJP	NA	NA
+MJ027937	Galamustine 	C10H19Cl2NO5	303.064028	NA	MeJP	NA	NA
+CJpos0718	Phenylacetylglutamine [(M+K)]+ (13C)	C1213CH16KN2O4	303.069675	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0718	Phenylacetylglutamine [(M+K)]+ (13C)	C1213CH16KN2O4	303.069675	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc02707	O-D-Alanyl-poly(ribitol phosphate) []	C8H18N1O9P1	303.071918	NA	metacyc	NA	NA
+MJ027938	2-Benzamidobenzoic acid; 2',4'-Dihydroxy, 4-methoxy 	C15H13NO6	303.074287	NA	MeJP	NA	NA
+MJ027939	Chlorambucil 	C14H19Cl2NO2	303.079284	NA	MeJP	NA	NA
+FL7DECNS0001	5-Methyl-6-hydroxyluteolinidin;6,7,3',4'-Tetrahydroxy-5-methoxy-flavylium	C16H15O6	303.08686	-	knapsack	NA	NA
+MJ027940	5-Methylaminomethyl-2-thiouridine 	C11H17N3O5S	303.088891	NA	MeJP	NA	NA
+MJ027941	Cycasthioamide 	C11H17N3O5S	303.088891	NA	MeJP	NA	NA
+MetaCyc02708	5-methylaminomethyl-2-thiouridine []	C11H17N3O5S1	303.088891	NA	metacyc	NA	NA
+C08331	Gynocardin	C12H17NO8	303.0954	NA	KEGG	NA	NA
+MJ027942	Gynocardin 	C12H17NO8	303.095416	NA	MeJP	NA	NA
+MJ027943	Rutaecarpine; 1-Hydroxy 	C18H13N3O2	303.100776	NA	MeJP	NA	NA
+MJ027944	Rutaecarpine; 3-Hydroxy 	C18H13N3O2	303.100776	NA	MeJP	NA	NA
+MJ027945	Rutaecarpine; 7?-Hydroxy 	C18H13N3O2	303.100776	NA	MeJP	NA	NA
+C07825	Flumazenil	C15H14FN3O3	303.1019	NA	KEGG	NA	NA
+MJ027946	Flumazenil 	C15H14FN3O3	303.101919	NA	MeJP	NA	NA
+MJ027947	Wallemia C; 4'-Chloro 	C17H18ClNO2	303.102606	NA	MeJP	NA	NA
+MJ027948	Antibiotic SF 2738E 	C15H17N3O2S	303.104147	NA	MeJP	NA	NA
+MJ027949	4-(5,7-Dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-6-yl)-2-piperidinone; N-Me 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027950	5,6-Dihydro-N-[3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenoyl]-2(1H)-pyridinone; 2',3'-Dihydro 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027951	Cenocladamide 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027952	Hydroxylunine 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027953	Isopteleflorine 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027954	Leucojum Base C 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027955	Lunidonine; N-De-Me 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027956	Neohydroxylunine 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027957	Piplartine; 4'-O-De-Me 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027958	Pteleflorine 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027959	Ungminorine, 2-Epimer, O-de-Me 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+MJ027960	Ungminorine, O-De-Me 	C16H17NO5	303.110672	NA	MeJP	NA	NA
+PJ000220	GNN 	C10H17N5O6	303.1179	NA	PeJP	NA	NA
+CJpos0719	Indoleacetyl glutamine [(M+H)]+	C15H18N3O4	303.121375	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0719	Indoleacetyl glutamine [(M+H)]+	C15H18N3O4	303.121375	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc02709	indole-3-acetyl-gln [indole-3-acetyl-glutamine;]	C15H17N3O4	303.121906	NA	metacyc	NA	NA
+HMDB13240	Indoleacetyl glutamine	C15H17N3O4	303.121918	NA	HMDB2010	NA	NA
+CJneg0507	Indoleacetyl glutamine [(M-H)]-	C15H16N3O4	303.122425	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0507	Indoleacetyl glutamine [(M-H)]-	C15H16N3O4	303.122425	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000221	GPM 	C12H21N3O4S	303.1253	NA	PeJP	NA	NA
+MJ027961	Mycosporin glutamicol 	C13H21NO7	303.131802	NA	MeJP	NA	NA
+MJ027962	Pipemidic acid 	C14H17N5O3	303.133139	NA	MeJP	NA	NA
+MJ027963	Evodiamine 	C19H17N3O	303.137162	NA	MeJP	NA	NA
+C09187	Evodiamine	C19H17N3O	303.1372	NA	KEGG	NA	NA
+C13826	Retigabine	C16H18FN3O2	303.1383	NA	KEGG	NA	NA
+MJ027964	[2-Amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]carbamic acid; Et ester 	C16H18FN3O2	303.138305	NA	MeJP	NA	NA
+MJ027965	2-Chloro-N-[1-(3-methoxyphenyl)ethyl]benzenepropanamine 	C18H22ClNO	303.138992	NA	MeJP	NA	NA
+MJ027966	Chlorphenoxamine 	C18H22ClNO	303.138992	NA	MeJP	NA	NA
+MJ027967	Phenoxybenzamine 	C18H22ClNO	303.138992	NA	MeJP	NA	NA
+C07435	Phenoxybenzamine	C18H22ClNO	303.139	NA	KEGG	NA	NA
+C07436	Transferred to D00507	C18H22ClNO	303.139	NA	KEGG	NA	NA
+C05324	Nicotianamine	C12H21N3O6	303.143	NA	KEGG	NA	NA
+PJ000222	SPT 	C12H21N3O6	303.143	NA	PeJP	NA	NA
+MJ027968	N2-?-Glutamylornithine; L-L-form, N5-Ac 	C12H21N3O6	303.143035	NA	MeJP	NA	NA
+MJ027969	Nicotianamine 	C12H21N3O6	303.143035	NA	MeJP	NA	NA
+MetaCyc02710	nicotianamine []	C12H21N3O6	303.143035	34441-14-0	metacyc	NA	NA
+PJ000223	GVE 	C12H21N3O6	303.1431	NA	PeJP	NA	NA
+MJ027970	Kikumycin A 	C13H17N7O2	303.144372	NA	MeJP	NA	NA
+17	Actomyosin	VW	303.147	celiac toxic	Inhouse_peptide	NA	peptide
+3486	ACE inhibitor from sake lees	VW	303.147	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ027971	5-Methoxy-2,2-dimethyl-2H-pyrano[2,3-b]quinoline; 8,9-Dimethoxy, 3,4-dihydro 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027972	7-Methoxycrinan-11-ol 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027973	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-Cinnamoyl 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027974	Aestivine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027975	Cocaine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027976	Crinosine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027977	Dasycarine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027978	Erysopitine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027979	Fenoterol 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027980	Galanthamine, N-Oxide 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027981	Galanthine; O10-De-Me 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027982	Galanthine; O9-De-Me 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027983	Glycocitlone A; 8-Methoxy 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027984	Habranthine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027985	Haemanthamine, Dihydro 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027986	Hydromorphinol 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027987	Lunacridine, 3',4'-Didehydro 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027988	Magnarcine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027989	Narcidine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027990	Piperlonguminine, 6-Methoxy 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027991	Preskimmianine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027992	Pseudolycorine; O10-Me 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027993	Rulodine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027994	Scopine; O-(2-Hydroxy-3-phenylpropanoyl) 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027995	Scopolamine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027996	Solanapyrone B; 7?-Hydroxy, 1''-aldehyde, 4'-demethoxy, 4'-amino 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027997	Solanapyrone B; 7?-Hydroxy, 1''-aldehyde, 4'-demethoxy, 4'-amino 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027998	Wisanidine, 4,5-Dihydro 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ027999	Cocaine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MJ028000	Scopolamine 	C17H21NO4	303.147058	NA	MeJP	NA	NA
+MetaCyc02711	scopolamine []	C17H21N1O4	303.147058	51-34-3	metacyc	NA	NA
+HMDB03573	Scopolamine	C17H21NO4	303.14706	http://www.hmdb.ca/metabolites/HMDB03573	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03573	Scopolamine	C17H21NO4	303.14706	http://www.hmdb.ca/metabolites/HMDB03573	HMDB	NA	NA
+HMDB03573	Scopolamine	C17H21NO4	303.14706	http://www.hmdb.ca/metabolites/HMDB03573	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03573	Scopolamine	C17H21NO4	303.14706	HMDB03573	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03573	Scopolamine	C17H21NO4	303.147064	NA	HMDB2010	NA	NA
+C01416	Cocaine	C17H21NO4	303.1471	NA	KEGG	NA	NA
+C01851	Scopolamine	C17H21NO4	303.1471	NA	KEGG	NA	NA
+C08523	Carinatine	C17H21NO4	303.1471	NA	KEGG	NA	NA
+C12172	11alpha-Hydroxygalanthamine	C17H21NO4	303.1471	NA	KEGG	NA	NA
+MJ028001	N2-?-Glutamylarginine 	C11H21N5O5	303.154268	NA	MeJP	NA	NA
+PJ000224	ER 	C11H21N5O5	303.1543	NA	PeJP	NA	NA
+MJ028002	Antibiotic TAN 1169A 	C16H21N3O3	303.158291	NA	MeJP	NA	NA
+MJ028003	Bamaquimast 	C16H21N3O3	303.158291	NA	MeJP	NA	NA
+MetaCyc02712	N6-[(Indole-3-yl)acetyl]-L-lysine []	C16H21N3O3	303.158292	NA	metacyc	NA	NA
+C04211	N(6)-[(Indol-3-yl)acetyl]-L-lysine	C16H21N3O3	303.1583	NA	KEGG	NA	NA
+C04212	3',5'-Cyclic nucleotide	C5H8O6PR	303.1583	NA	KEGG	NA	NA
+C04213	Dolichyl diphosphooligosaccharide	C36H63N2O17P2R	303.1583	NA	KEGG	NA	NA
+C04214	Phospho-[tyrosine-3-monoxygenase]	C36H63N2O17P2R	303.1583	NA	KEGG	NA	NA
+C04215	Phospholipid methylene fatty acid	C15H24O8PR3	303.1583	NA	KEGG	NA	NA
+PJ000225	VW 	C16H21N3O3	303.1583	NA	PeJP	NA	NA
+C15028	alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol	C21H21NO	303.1623	NA	KEGG	NA	NA
+HMDB13328	Pimelylcarnitine	C14H25NO6	303.168182	NA	HMDB2010	NA	NA
+MJ028004	Aditeren; N4',N4'-Di-Me 	C15H21N5O2	303.169524	NA	MeJP	NA	NA
+MJ028005	Cyclo(arginylphenylalanyl) 	C15H21N5O2	303.169524	NA	MeJP	NA	NA
+MJ028006	Aptiganel 	C20H21N3	303.173547	NA	MeJP	NA	NA
+MJ028007	Decussine, 3?,14-Dihydro 	C20H21N3	303.173547	NA	MeJP	NA	NA
+MJ028008	3,3'-Bis(indolylmethyl)dimethylammonium 	C20H22N3(+)	303.173547	NA	MeJP	NA	NA
+MJ028009	Malindine 	C20H22N3(+)	303.173547	NA	MeJP	NA	NA
+PJ000226	ATL 	C13H25N3O5	303.1794	NA	PeJP	NA	NA
+MJ028010	3'-Methoxy-4'-O-methyljoubertiamine 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028011	3,5-Bis(3-methyl-2-butenyl)-1H-indole; 2''S,3''-Epoxide, 2',3'-dihydro, 2'R,3'-dihydroxy 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028012	3-Hydroxy-3-nonyl-2,4(1H,3H)-quinolinedione 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028013	Alangine 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028014	Atromepine 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028015	Lycofoline; 8-Ketone, 5-Ac 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028016	Lycopodium Base XI 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028017	Oridine, N-Me 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028018	Pipercallosidine 	C18H25NO3	303.183443	NA	MeJP	NA	NA
+MJ028019	Valindolmycin 	C17H25N3O2	303.194677	NA	MeJP	NA	NA
+MetaCyc02713	BAS 111 []	C17H25N3O2	303.194677	NA	metacyc	NA	NA
+MJ028020	Piroheptine 	C22H25N	303.198699	NA	MeJP	NA	NA
+CJpos0720	Hydroxyoctanoylcarnitine [(M+H)]+	C15H30NO5	303.204075	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0720	Hydroxyoctanoylcarnitine [(M+H)]+	C15H30NO5	303.204075	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ028021	1,2,3,4,5,6-Hexahydro-3-(2-methoxypropyl)-6,11,11-trimethyl-2,6-methano-3-benzazocin-9-ol 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028022	Antibiotic NK 26588 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028023	Bornaprolol 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028024	Cycloneosamandione 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028025	Dihomosedinone 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028026	Nexeridine 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028027	Samandarine; 16-Ketone 	C19H29NO2	303.219829	NA	MeJP	NA	NA
+MJ028028	(4-Cyclopentyl-4-hydroxy-3-oxo-4-phenylbutyl)ethyldimethylammonium(1+) 	C19H30NO2(+)	303.219829	NA	MeJP	NA	NA
+CJpos0721	2,6 dimethylheptanoyl carnitine [(M+H)]+ (18O)	C16H32NO318O	303.228975	C18rt(min)=8.06 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0722	Nonanoylcarnitine [(M+H)]+ (18O)	C16H32NO318O	303.228975	C18rt(min)=8.18 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0721	2,6 dimethylheptanoyl carnitine [(M+H)]+ (18O)	C16H32NO318O	303.228975	C18rt(min)=8.06 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0722	Nonanoylcarnitine [(M+H)]+ (18O)	C16H32NO318O	303.228975	C18rt(min)=8.18 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06012	Epimetendiol	C20H31O2	303.23242	http://www.hmdb.ca/metabolites/HMDB06012	HMDB	NA	NA
+HMDB06012	Epimetendiol	C20H31O2	303.23242	HMDB06012	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01529	cis-Fenpropimorph	C20H33NO	303.2562	http://www.hmdb.ca/metabolites/HMDB01529	HMDB	NA	NA
+HMDB01529	cis-Fenpropimorph	C20H33NO	303.2562	HMDB01529	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02714	cis-fenpropimorph [(+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)-2,6- dimethylmorpholine;cis-2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2- methylpropyl)morpholine;cis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6- dimethylmorpholine (9CI);morpholine, 2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2- methylpropyl)-, cis-;cis-4-(3-(p-tert-butylphenyl)-2-methylpropyl)-2,6- dimethylmorpholine;]	C20H33N1O1	303.256215	NA	metacyc	NA	NA
+MJ028029	1-Hexadecylpyridinium(1+) 	C21H38N(+)	303.2926	NA	MeJP	NA	NA
+MJ028030	1,3,4-Tribromo-3-buten-2-one 	C4H3Br3O	303.773402	NA	MeJP	NA	NA
+MJ028031	1,4,4-Tribromo-3-buten-2-one 	C4H3Br3O	303.773402	NA	MeJP	NA	NA
+MJ028032	3,4,4-Tribromo-3-buten-2-one 	C4H3Br3O	303.773402	NA	MeJP	NA	NA
+MJ028033	2,3-Dibromo-3-phenylpropenoic acid 	C9H6Br2O2	303.873454	NA	MeJP	NA	NA
+C18104	2,3,7,8-Tetrachlorodibenzofuran	C12H4Cl4O	303.9016	NA	KEGG	NA	NA
+C07459	Dichlorphenamide	C6H6Cl2N2O4S2	303.9146	NA	KEGG	NA	NA
+MJ028034	4,5-Dichloro-1,3-benzenedisulfonic acid; Diamide 	C6H6Cl2N2O4S2	303.914603	NA	MeJP	NA	NA
+C15229	Ziram	C20H26O3	303.9175	NA	KEGG	NA	NA
+MetaCyc02715	PbSO4 [anglesite;lead sulfate;]	O4S1PB1	303.928365	NA	metacyc	NA	NA
+C14282	2-Furylmercury chloride	C4H3ClHgO	303.9579	NA	KEGG	NA	NA
+MJ028035	Meridianin A; 6-Bromo 	C12H9BrN4O	303.995973	NA	MeJP	NA	NA
+MJ028036	Meridianin A; 7-Bromo 	C12H9BrN4O	303.995973	NA	MeJP	NA	NA
+MJ028037	Psammopemmin A 	C12H10BrN4O(+)	303.995973	NA	MeJP	NA	NA
+MetaCyc02716	2-bromoporphobilinogen []	C10H13N2O4BR1	304.00587	NA	metacyc	NA	NA
+FL3FAANSH001	6-Chloroapigenin	C15H9ClO5	304.01385	75479-05-9	knapsack	NA	NA
+MJ028038	1-Chloro-2,4,5-trihydroxy-7-methylanthraquinone 	C15H9ClO5	304.013851	NA	MeJP	NA	NA
+MJ028039	2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone 	C15H9ClO5	304.013851	NA	MeJP	NA	NA
+MJ028040	6-Chloro-4',5,7-trihydroxyisoflavone 	C15H9ClO5	304.013851	NA	MeJP	NA	NA
+C10311	7-Chloroemodin	C15H9ClO5	304.0139	NA	KEGG	NA	NA
+MJ028041	Delorazepam 	C15H10Cl2N2O	304.017018	NA	MeJP	NA	NA
+MJ028042	3,4,6,8-Tetrahydroxyxanthone-1-carboxylic acid 	C14H8O8	304.021917	NA	MeJP	NA	NA
+MJ028043	5-Acetyl-5'-(1-propynyl)-2,2'-bithiophene; 2''-Acetoxy 	C15H12O3S2	304.022785	NA	MeJP	NA	NA
+MJ028044	3-Hydroxykynurenine, O-Sulfate 	C10H12N2O7S	304.036521	NA	MeJP	NA	NA
+MJ028045	2H,9H-Furo[3,2-g:4,5-g']bis[1]benzopyran-2,9-dione 	C18H8O5	304.037173	NA	MeJP	NA	NA
+MJ028046	Gnidicoumarin 	C18H8O5	304.037173	NA	MeJP	NA	NA
+MetaCyc02717	thymidine 3'5'-cyclic monophosphate []	C10H13N2O7P1	304.046037	NA	metacyc	NA	NA
+HMDB01570	Thymidine 3',5'-cyclic monophosphate	C10H13N2O7P	304.04605	http://www.hmdb.ca/metabolites/HMDB01570	HMDB	NA	NA
+HMDB01570	Thymidine 3',5'-cyclic monophosphate	C10H13N2O7P	304.04605	HMDB01570	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01570	Thymidine 3',5'-cyclic monophosphate	C10H13N2O7P	304.046051	NA	HMDB2010	NA	NA
+MJ028047	Tioxacin 	C14H12N2O4S	304.051777	NA	MeJP	NA	NA
+JH212	Taxifolin (=dihydroquercetin) [M+H]+	C15H12O7	304.0556	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH212	Taxifolin (=dihydroquercetin) [M+H]+	C15H12O7	304.0556	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH212	Taxifolin (=dihydroquercetin) [M+H]+	C15H12O7	304.0556	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH212	Taxifolin (=dihydroquercetin) [M+H]+	C15H12O7	304.0556	14.15	Inhousejuil11	NA	NA
+MJ028048	1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizine, 10-Bromo 	C15H17BrN2	304.057511	NA	MeJP	NA	NA
+C01617	Taxifolin	C15H12O7	304.0583	NA	KEGG	NA	NA
+C05911	Pentahydroxyflavanone	C15H12O7	304.0583	NA	KEGG	NA	NA
+C12316	cis-Dihydroquercetin	C15H12O7	304.0583	NA	KEGG	NA	NA
+FL1B3CNS0001	Nigrescin	C15H12O7	304.0583	38076-40-3	knapsack	NA	NA
+FL1BACNS0001	Alphitonin	C15H12O7	304.0583	493-36-7	knapsack	NA	NA
+FL2FAGNS0001	5,7,3',4',5'-Pentahydroxyflavanone	C15H12O7	304.0583	81398-31-4	knapsack	NA	NA
+FL4D1GNS0001	Dihydrorobinetin	C15H12O7	304.0583	4382-33-6	knapsack	NA	NA
+FL4D3CNS0001	8-Hydroxyfustin	C15H12O7	304.0583	38081-18-4	knapsack	NA	NA
+FL4D3CNS0002	(2R,3S)-3,7,8,3',4'-Pentahydroxyflavanone	C15H12O7	304.0583	104265-26-1	knapsack	NA	NA
+FL4DA8NS0002	3,5,7,2',5'-Pentahydroxyflavanone	C15H12O7	304.0583	160389-08-2	knapsack	NA	NA
+FL4DA8NS0005	3,5,7,2',6'-Pentahydroxyflavanone	C15H12O7	304.0583	82854-32-8	knapsack	NA	NA
+FL4DACNS0001	Dihydroquercetin;(2R,3R)-Taxifolin;Distylin	C15H12O7	304.0583	17654-26-1	knapsack	NA	NA
+FL4DALNS0001	Dihydromorin	C15H12O7	304.0583	18422-83-8	knapsack	NA	NA
+MJ028049	Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028050	Taxifolin 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028051	1,2,3,5,6-Pentahydroxyxanthone; 2,5-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028052	1,2,3,6,8-Pentahydroxyxanthone; 1,2-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028053	1,2,3,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028054	1,2,3,7,8-Pentahydroxyxanthone; 7,8-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028055	1,2,5,6,8-Pentahydroxyxanthone; 1,5-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028056	1,2,5,6,8-Pentahydroxyxanthone; 2,5-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028057	1,2,5,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028058	1,3,4,5,8-Pentahydroxyxanthone; 3,4-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028059	1,3,4,5,8-Pentahydroxyxanthone; 4,5-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028060	1,3,5,6,7-Pentahydroxyxanthone; 3,5-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028061	1,3,5,6,7-Pentahydroxyxanthone; 3,6-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028062	1,3,5,6,7-Pentahydroxyxanthone; 3,7-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028063	1,3,5,6,7-Pentahydroxyxanthone; 5,7-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028064	1,3,5,6,7-Pentahydroxyxanthone; 6,7-Di-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028065	1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028066	2',3,4',5,7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028067	2',3,5,5',7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028068	2',3,5,6',7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028069	2,3',4',5,7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028070	3',4',5,5',7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028071	3',4',5,7,8-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028072	3,3',4',5',7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028073	3,3',4',5,7-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028074	3,3',4',7,8-Pentahydroxyflavanone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028075	Alphitonin 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028076	Bethancorol 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028077	Fulvic acid; 3-Deoxy, 3,4-didehydro, 7-Me ether 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028078	Haemoventosin 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028079	Nectriafurone 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028080	Nigrescin 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028081	Pratenol B 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MJ028082	Ventilone C 	C15H12O7	304.058302	NA	MeJP	NA	NA
+MetaCyc02718	3',4',5'-pentahydroxyflavanone [dihydrotricetin;5,7,3',4',5'-pentahydroxyflavanone;]	C15H12O7	304.058303	NA	metacyc	NA	NA
+MetaCyc02719	dihydroquercetin [(+)-taxifolin;(+)-dihydroquercetin;taxifolin;]	C15H12O7	304.058303	480-18-2	metacyc	NA	NA
+CJpos0723	Phenylacetylglutamine [(M+K)]+ (41K)	C13H16K041KN2O4	304.064475	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0723	Phenylacetylglutamine [(M+K)]+ (41K)	C13H16K041KN2O4	304.064475	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ028083	Arofylline 	C14H13ClN4O2	304.072703	NA	MeJP	NA	NA
+MJ028084	1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione 	C19H12O4	304.073558	NA	MeJP	NA	NA
+MJ028085	2,5,6-Trihydroxy-9-phenyl-1H-phenalen-1-one 	C19H12O4	304.073558	NA	MeJP	NA	NA
+MJ028086	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3',4'-Dihydroxy 	C19H12O4	304.073558	NA	MeJP	NA	NA
+MJ028087	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3,4'-Dihydroxy 	C19H12O4	304.073558	NA	MeJP	NA	NA
+MJ028088	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 4,4'-Dihydroxy 	C19H12O4	304.073558	NA	MeJP	NA	NA
+MJ028089	4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione; 4'-Methoxy 	C19H12O4	304.073558	NA	MeJP	NA	NA
+MJ028090	Phlebiarubrone 	C19H12O4	304.073558	NA	MeJP	NA	NA
+C12397	Tetrangulol	C19H12O4	304.0736	NA	KEGG	NA	NA
+MJ028091	Melphalan 	C13H18Cl2N2O2	304.074533	NA	MeJP	NA	NA
+MJ028092	Metamelfalan 	C13H18Cl2N2O2	304.074533	NA	MeJP	NA	NA
+MJ028093	3,5-Dihydroxy-2-methyl-4H-pyran-4-one; 3-O-?-D-Glucopyranoside 	C12H16O9	304.079432	NA	MeJP	NA	NA
+MJ028094	5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 1'-O-?-D-Glucopyranoside 	C12H16O9	304.079432	NA	MeJP	NA	NA
+CJpos0724	Asp-Leu Asp-Ile [(M+H)+(NaCl)]+	C10H19ClN2NaO5	304.079675	C18rt(min)=4.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0724	Asp-Leu § Asp-Ile [(M+H)+(NaCl)]+	C10H19ClN2NaO5	304.079675	C18rt(min)=4.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0508	Asp-Leu / Asp-Ile [(M-H)+(NaCl)]-	C10H17ClN2NaO5	304.080725	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0508	Asp-Leu / Asp-Ile [(M-H)+(NaCl)]-	C10H17ClN2NaO5	304.080725	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ028095	Clobuzarit 	C17H17ClO3	304.086622	NA	MeJP	NA	NA
+MJ028096	N?-Aspartylglutamic acid; L-L-form, N-Ac 	C11H16N2O8	304.090665	NA	MeJP	NA	NA
+MJ028097	N?-Aspartylglutamic acid; L-L-form, N-Ac 	C11H16N2O8	304.090665	NA	MeJP	NA	NA
+HMDB01067	N-Acetylaspartylglutamic acid	C11H16N2O8	304.090668	NA	HMDB2010	NA	NA
+HMDB01067	 N-Acetylaspartylglutamic acid	C11H16N2O8	304.09067	http://www.hmdb.ca/metabolites/HMDB01067	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01067	 N-Acetylaspartylglutamic acid	C11H16N2O8	304.09067	http://www.hmdb.ca/metabolites/HMDB01067	HMDB	NA	NA
+HMDB01067	N-Acetylaspartylglutamic acid	C11H16N2O8	304.09067	NA  ;SYN:1,4-methyl-imidazoleacetic acid; 1,4-Methylimidazoleacetate; 1-Methyl-4-imidazoleacetate; 1-Methyl-4-imidazoleacetic acid; 1-Methylimidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetate; 1-methyl-1H-Imidazole-4-acetic acid; Methylimidazole acetate; Methylimidazoleacetate; Methylimidazoleacetic acid; N tau-methylimidazoleacetic acid; Tele-methylimidazoleacetate; Tele-methylimidazoleacetic acid; MIAAH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB01067	 N-Acetylaspartylglutamic acid	C11H16N2O8	304.09067	http://www.hmdb.ca/metabolites/HMDB01067	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01067	 N-Acetylaspartylglutamic acid	C11H16N2O8	304.09067	HMDB01067	PFEM_hmdb_metabocards_official	NA	NA
+C12270	N-Acetyl-aspartyl-glutamate	C11H16N2O8	304.0907	NA	KEGG	NA	NA
+MJ028098	Flobufen 	C17H14F2O3	304.0911	NA	MeJP	NA	NA
+FL1DHXNS0006	3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone	C16H16O6	304.09468	117614-80-9	knapsack	NA	NA
+FL1DHYNS0005	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone;4,2',4',beta-Tetrahydroxy-6'-methoxy-alpha,beta-dihydrochalcone	C16H16O6	304.09468	220443-00-5	knapsack	NA	NA
+FL63ADNS0001	Symplocosidin	C16H16O6	304.09468	76549-34-3	knapsack	NA	NA
+FL63AENS0001	Catechin 4'-methyl ether	C16H16O6	304.09468	69912-75-0	knapsack	NA	NA
+FL63CCNS0001	Catechin-7-methyl ether	C16H16O6	304.09468	-	knapsack	NA	NA
+FL63CDNS0001	Catechin-3'-methyl ether	C16H16O6	304.09468	-	knapsack	NA	NA
+FL6D3ANS0004	Ortin-4alpha-ol 8-methyl ether	C16H16O6	304.09468	29799-89-1	knapsack	NA	NA
+FL6D3ANS0005	Epioritin-4alpha-ol 8-methyl ether	C16H16O6	304.09468	38412-80-5	knapsack	NA	NA
+FLIC3LNS0004	(3R)-3',8-Dihydroxyvestitol;(3R)-7,8,2',3'-Tetrahydroxy-4'-methoxyisoflavan	C16H16O6	304.09468	122587-87-5	knapsack	NA	NA
+MJ028099	1,2,3,4,6-Dibenzofuranpentol; 1,3,4,6-Tetra-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028100	1,2-Epoxy-3-hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028101	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-propanone, 2'-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028102	2',3',4',7,8-Pentahydroxyisoflavan, 4'-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028103	2,2',4,4',6-Pentahydroxy-6'-methylbenzophenone; 2',4-Di-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028104	2,3',4,4',6-Pentahydroxybenzophenone; 2,3',4-Tri-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028105	2,3',4,4',6-Pentahydroxybenzophenone; 2,4,6-Tri-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028106	2,3,4,6,7-Dibenzofuranpentol; 2,3,4,6-Tetra-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028107	3,3',4',5,7-Pentahydroxyflavan, 3'-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028108	3,3',4',5,7-Pentahydroxyflavan, 3-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028109	3,3',4',5,7-Pentahydroxyflavan, 4'-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028110	3,3',4',5,7-Pentahydroxyflavan, 7-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028111	3,4,4',7,8-Pentahydroxyflavan, 8-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028112	3,8,9-Trihydroxy-2,5-dioxo-1(6),3,7,9-cadinatetraen-14-al; 3-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028113	3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028114	3-[[4,5-Dihydroxy-2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-3,6-benzofurandiol 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028115	4-Methoxy-6-[2-(3,4-methylenedioxyphenyl)ethyl]-2H-pyran-2-one; 14-Methoxy 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028116	6-Methoxy-3',4'-dihydroisomicrominutin 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028117	7-Hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028118	?,2',4,4',6'-Pentahydroxydihydrochalcone, 2'-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028119	Altersolanol A; 1,4-Dideoxy 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028120	Antibiotic JTNC 005 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028121	Austrocortilutein 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028122	Austrocortirubin; 1-Deoxy 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028123	Aviprin 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028124	Bostrycin; 5,6-Dideoxy 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028125	Bostrycin; 6,10-Dideoxy 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028126	Cassialactone 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028127	Clavilactone C 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028128	Decursidinol, 3'-Ac 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028129	Fonsecin; 8-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028130	Glochidiolide 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028131	Goughione 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028132	Griseofulvin, Dechloro, 2'-O-de-Me 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028133	Heraclenol 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028134	Herbarin 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028135	Javanicin; 8-Me ether 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028136	Khellactone, 10-Ac 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028137	Khellactone, 9-Ac 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028138	Nanaomycin A; 4a,10a-Dihydro 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028139	Nanaomycin E; 2'-Alcohol 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028140	Nidulalin A; 8,8a?-Dihydro 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028141	Protogenkwanin; 2',3',5',6-Tetrahydro, 4'-ketone 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028142	Protogenkwanin; 2',3'-Dihydro 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028143	Protosappanin B 	C16H16O6	304.094688	NA	MeJP	NA	NA
+MJ028144	Ventiloquinone I 	C16H16O6	304.094688	NA	MeJP	NA	NA
+C08740	beta-Cotonefuran	C16H16O6	304.0947	NA	KEGG	NA	NA
+C08761	6-Methoxy-alpha-pyrufuran	C16H16O6	304.0947	NA	KEGG	NA	NA
+MJ028145	Mannomustine 	C10H22Cl2N2O4	304.095662	NA	MeJP	NA	NA
+MJ028146	Diazinon, ANSI 	C12H21N2O3PS	304.101049	NA	MeJP	NA	NA
+C14324	Diazinon	C12H21N2O3PS	304.1011	NA	KEGG	NA	NA
+MJ028147	2,4-Diamino-5,6-dihydroxypyrimidine; 5-O-?-D-Glucopyranoside 	C10H16N4O7	304.101898	NA	MeJP	NA	NA
+C08437	Vicine	C10H16N4O7	304.1019	NA	KEGG	NA	NA
+PJ000227	GND 	C10H16N4O7	304.1019	NA	PeJP	NA	NA
+MJ028148	7-Methoxymitosene 	C15H16N2O5	304.105921	NA	MeJP	NA	NA
+MJ028149	Cytisus ruthenicus Alkaloid 	C15H16N2O5	304.105921	NA	MeJP	NA	NA
+MJ028150	N-(1H-Indol-3-ylacetyl)glutamic acid 	C15H16N2O5	304.105921	NA	MeJP	NA	NA
+MetaCyc02720	indole-3-acetyl-glu [indole-3-acetyl-glutamate;]	C15H16N2O5	304.105922	NA	metacyc	NA	NA
+FL3F19NP0001	8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C20H16O3	304.10994	64125-32-2	knapsack	NA	NA
+MJ028151	8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 	C20H16O3	304.109944	NA	MeJP	NA	NA
+MJ028152	2,2-Bis(hydroxymethyl)-1,3-propanediol; Tetra-Ac 	C13H20O8	304.115817	NA	MeJP	NA	NA
+MJ028153	6-Deoxy-3-O-methylaltrose; ?-L-Pyranose-form, Tri-Ac 	C13H20O8	304.115817	NA	MeJP	NA	NA
+MJ028154	Crassinodine 	C13H20O8	304.115817	NA	MeJP	NA	NA
+MJ028155	2,2-Di-1H-indol-3-ylpropanoic acid 	C19H16N2O2	304.121177	NA	MeJP	NA	NA
+MJ028156	2-(1H-Indol-3-ylmethyl)-1H-indole-3-acetic acid 	C19H16N2O2	304.121177	NA	MeJP	NA	NA
+MJ028157	3,6-Dibenzylidene-2,5-piperazinedione, N-Me 	C19H16N2O2	304.121177	NA	MeJP	NA	NA
+MJ028158	3,6-Dibenzylidene-5-methoxy-3,6-dihydro-2-pyrazinone 	C19H16N2O2	304.121177	NA	MeJP	NA	NA
+MJ028159	Ceciline 	C19H16N2O2	304.121177	NA	MeJP	NA	NA
+MJ028160	Mappicine, 18-Ketone 	C19H16N2O2	304.121177	NA	MeJP	NA	NA
+C09130	Ceceline	C19H16N2O2	304.1212	NA	KEGG	NA	NA
+MJ028161	Leptanthin; 1-Deacyl, 1-(phenylacetyl) 	C16H20N2O2S	304.124548	NA	MeJP	NA	NA
+MJ028162	Leptanthin; N2-Deacyl, N2-(phenylacetyl) 	C16H20N2O2S	304.124548	NA	MeJP	NA	NA
+MJ028163	Tipindole 	C16H20N2O2S	304.124548	NA	MeJP	NA	NA
+CJpos0725	Indoleacetyl glutamine [(M+H)]+ (13C)	C1413CH18N3O4	304.124675	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0725	Indoleacetyl glutamine [(M+H)]+ (13C)	C1413CH18N3O4	304.124675	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0509	Indoleacetyl glutamine [(M-H)]- (13C)	C1413CH16N3O4	304.125825	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0509	Indoleacetyl glutamine [(M-H)]- (13C)	C1413CH16N3O4	304.125825	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ028164	Dysiherbaine 	C12H20N2O7	304.127051	NA	MeJP	NA	NA
+MJ028165	Mugineic acid; 2'-Deoxy 	C12H20N2O7	304.127051	NA	MeJP	NA	NA
+C15485	2'-Deoxymugineic acid	C12H20N2O7	304.1271	NA	KEGG	NA	NA
+MJ028166	Wybutine 	C13H16N6O3	304.128388	NA	MeJP	NA	NA
+MJ028167	(1,1-Dimethyl-2-propenyl)propanedioic acid; Methyl-phenacyl ester 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028168	1,10-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028169	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Ketone, 6-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028170	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone, 8-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028171	1-(2,4-Dihydroxy-3,5-dimethylphenyl)-3-(2,4,5-trihydroxyphenyl)propane 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028172	1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propanol, 2',4''-Di-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028173	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4'-Tri-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028174	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4-Tri-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028175	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',5-Tri-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028176	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,4'-Tri-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028177	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,5-Tri-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028178	1-(3,5-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',5-Tri-Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028179	1-Hydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028180	15-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028181	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028182	15-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide; Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028183	17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide, Me ether 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028184	2,3-Dihydroxy-1(10),7(11),8-eremophilatrien-12,8-olide, 2-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028185	2,3-Dihydroxy-1(10),7(11),8-eremophilatrien-12,8-olide, 3-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028186	2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028187	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028188	3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028189	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028190	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028191	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028192	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-angeloyl, 4'-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028193	3-[4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-2-propenoic acid, 4'-Ac, Me ester 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028194	4,8-Dihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028195	4-Hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028196	6-Hydroxy-1,11(13)-pseudoguaiadien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028197	6-Hydroxy-2-oxo-1(10),3-guaiadien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028198	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028199	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028200	8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide, 8-Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028201	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028202	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028203	8-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, Ac 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028204	Avicenol A 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028205	Cavoxinine 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028206	Cavoxinone 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028207	Murrangatin, O1'-Et 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028208	Oxaspirol A; 4-Ketone, stereoisomer(?) 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028209	Shizukanolide D 	C17H20O5	304.131073	NA	MeJP	NA	NA
+MJ028210	Spirotubipolide 	C17H20O5	304.131073	NA	MeJP	NA	NA
+C09293	Angustibalin	C17H20O5	304.1311	NA	KEGG	NA	NA
+C09303	Arteglasin A	C17H20O5	304.1311	NA	KEGG	NA	NA
+C09496	Linifolin A	C17H20O5	304.1311	NA	KEGG	NA	NA
+MJ028211	Flupirtine 	C15H17FN4O2	304.133554	NA	MeJP	NA	NA
+MJ028212	Nopaline 	C11H20N4O6	304.138284	NA	MeJP	NA	NA
+MJ028213	D-Nopaline 	C11H20N4O6	304.138284	NA	MeJP	NA	NA
+MetaCyc02721	D-nopaline [N2-(D-1,3-dicarboxypropyl)-L-arginine;]	C11H20N4O6	304.138284	NA	metacyc	NA	NA
+C01682	Nopaline	C11H20N4O6	304.1383	NA	KEGG	NA	NA
+PJ000228	GTQ 	C11H20N4O6	304.1383	NA	PeJP	NA	NA
+MJ028214	Flubanilate 	C14H19F3N2O2	304.139862	NA	MeJP	NA	NA
+MJ028215	Diarbarone 	C16H20N2O4	304.142307	NA	MeJP	NA	NA
+MJ028216	Ecgonine, O-(3-Pyridinecarbonyl), Me ester 	C16H20N2O4	304.142307	NA	MeJP	NA	NA
+MJ028217	Tomaymycin 	C16H20N2O4	304.142307	NA	MeJP	NA	NA
+MJ028218	Enpiprazole 	C16H21ClN4	304.145474	NA	MeJP	NA	NA
+MJ028219	Mepiprazole 	C16H21ClN4	304.145474	NA	MeJP	NA	NA
+4013	LDC, beta-chain	ISCDKF	304.15245	MH2+	Inhouse_peptide	NA	peptide
+MJ028220	N-(Aminoiminomethyl)-3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-3-oxo-2H-1,4-benzoxazine-6-carboxamide 	C15H20N4O3	304.15354	NA	MeJP	NA	NA
+MJ028221	Balfourodinium 	C17H22NO4	304.154883	NA	MeJP	NA	NA
+C10648	Balfourodinium	C17H22NO4	304.1549	NA	KEGG	NA	NA
+MJ028222	Suronacrine 	C20H20N2O	304.157563	NA	MeJP	NA	NA
+MJ028223	C-Xanthocurine 	C20H21N2O(+)	304.157563	NA	MeJP	NA	NA
+MJ028224	Fedamazine 	C20H21N2O(+)	304.157563	NA	MeJP	NA	NA
+MJ028225	Melinonine H 	C20H21N2O(+)	304.157563	NA	MeJP	NA	NA
+2707	erythromycin inhibitor	MFKAL	304.1617	MH2+	Inhouse_peptide	NA	peptide
+MJ028226	Discadenine 	C14H20N6O2	304.164773	NA	MeJP	NA	NA
+MetaCyc02722	discadenine []	C14H20N6O2	304.164774	62061-49-8	metacyc	NA	NA
+C01804	Discadenine	C14H20N6O2	304.1648	NA	KEGG	NA	NA
+MJ028227	2',4',6'-Trihydroxyacetophenone; 2'-O-(3,7-Dimethyl-2,6-octadienyl) 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028228	2',4',6'-Trihydroxyacetophenone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028229	2,4,6-Trihydroxy-3-prenylacetophenone; 2-O-(3-Methyl-2-butenyl) 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028230	2,4,6-Trihydroxy-3-prenylacetophenone; 4-O-(3-Methyl-2-butenyl) 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028231	2-Bornanol, O-(4-Hydroxy-3-methoxybenzoyl) 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028232	2-Bornanol, O-(3-Hydroxy-4-methoxybenzoyl) 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028233	3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one, 13-Me ether 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028234	3,4,20,21,22,23,24,25,26,27,28,29-Dodecanor-5,17-dioxo-2,3-secocycloartan-2-oic acid 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028235	4-Hydroxy-3,5-diprenylacetophenone; 4'',4'''-Dihydroxy 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028236	4-Hydroxy-3,5-diprenylacetophenone; 4'',5'''-Dihydroxy 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028237	4-Hydroxy-3,5-diprenylacetophenone; 5''-Hydroxy, 2'',3''-epoxide 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028238	5-Hydroxy-2-nonyl-4H-1-benzopyran-4-one; 7-Hydroxy 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028239	6-Hydroxyfuranoeremophilan-9-one, Propanoyl 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028240	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Propanoyl 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028241	Botryslactone 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028242	Estra-1,3,5(10)-triene-3,15,16,17-tetrol 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028243	Filifolinol 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028244	Furanoeremophilane-1,6-diol, 1-Ketone, 6-propanoyl 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028245	Fusamarin 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028246	Graminin A 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028247	Hydroxyisopiloselloidone 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028248	Ialibinone E 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028249	Piloselloidone; 1''-Hydroxy 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028250	Primnatrienone; 6-Methoxy, 3-acetoxy 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028251	Solanapyrone B 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028252	Tanzawaic acid F 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028253	Tomentellin; ?3'(E-), ?7'-Isomer, 5'-deoxo, O3-de-Me 	C18H24O4	304.167459	NA	MeJP	NA	NA
+MJ028254	Trisporic acid C; Ketone 	C18H24O4	304.167459	NA	MeJP	NA	NA
+PJ000229	GTK 	C12H24N4O5	304.1747	NA	PeJP	NA	NA
+MJ028255	Carperidine 	C17H24N2O3	304.178692	NA	MeJP	NA	NA
+MJ028256	Etacepride 	C17H24N2O3	304.178692	NA	MeJP	NA	NA
+MJ028257	Tilisolol 	C17H24N2O3	304.178692	NA	MeJP	NA	NA
+HMDB06353	Dolichol phosphate	C15H29O4P	304.180359	NA	HMDB2010	NA	NA
+HMDB06353	Dolichol phosphate	C15H29O4P	304.18036	http://www.hmdb.ca/metabolites/HMDB06353	HMDB	NA	NA
+HMDB06353	Dolichol phosphate	C15H29O4P	304.18036	HMDB06353	PFEM_hmdb_metabocards_official	NA	NA
+MJ028258	19-Docosene-2,10,12,14,21-pentayn-1-ol 	C22H24O	304.182715	NA	MeJP	NA	NA
+MJ028259	19-Docosene-2,9,11,13,21-pentayn-1-ol 	C22H24O	304.182715	NA	MeJP	NA	NA
+C14886	16beta-Fluoroandrost-4-ene-3,17-dione	C19H25FO2	304.1839	NA	KEGG	NA	NA
+C15169	16alpha-Fluoroandrost-4-ene-3,17-dione	C19H25FO2	304.1839	NA	KEGG	NA	NA
+C13709	CPX	C16H24N4O2	304.1899	NA	KEGG	NA	NA
+MJ028260	8-Cyclopentyl-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione 	C16H24N4O2	304.189926	NA	MeJP	NA	NA
+MJ028261	Tracazolate 	C16H24N4O2	304.189926	NA	MeJP	NA	NA
+C13847	CP 339818	C21H24N2	304.1939	NA	KEGG	NA	NA
+MJ028262	Quinupramine 	C21H24N2	304.193948	NA	MeJP	NA	NA
+C05139	16alpha-Hydroxydehydroepiandrosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C05291	7alpha-Hydroxytestosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C05294	19-Hydroxytestosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14497	6beta-Hydroxytestosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14552	11-Ketoetiocholanolone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14600	16alpha-Hydroxytestosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14627	14alpha,17beta-Dihydroxyandrost-4-en-3-one	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14649	15alpha-Hydroxytestosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14671	11-Ketoandrosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C14912	1,2,4,5-Tetrahydrotestolactone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C15144	16beta,17beta-Dihydroxy-16-methylestr-4-en-3-one	C19H28O3	304.2038	NA	KEGG	NA	NA
+C15286	4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one	C19H28O3	304.2038	NA	KEGG	NA	NA
+C15306	11alpha,17beta-Dihydroxyandrost-4-en-3-one	C19H28O3	304.2038	NA	KEGG	NA	NA
+C15332	3beta-Hydroxy-5alpha-androstane-7,17-dione	C19H28O3	304.2038	NA	KEGG	NA	NA
+C15416	17beta-Hydroxy-5alpha-androstan-3,6-dione	C19H28O3	304.2038	NA	KEGG	NA	NA
+C18045	7alpha-Hydroxydehydroepiandrosterone	C19H28O3	304.2038	NA	KEGG	NA	NA
+C18046	Biotinyl-[protein]	C17H27N5O4SR2	304.2038	NA	KEGG	NA	NA
+C18047	Carboxybiotinyl-[protein]	C18H26N5O6SR2	304.2038	NA	KEGG	NA	NA
+C18075	11beta,17beta-Dihydroxy-4-androsten-3-one	C19H28O3	304.2038	NA	KEGG	NA	NA
+HMDB00309	3a,16b-Dihydroxyandrostenone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB00309	HMDB	NA	NA
+HMDB00322	 16-Oxoandrostenediol	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB00322	HMDB	NA	NA
+HMDB00352	16a-Hydroxydehydroisoandrosterone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB00352	HMDB	NA	NA
+HMDB00388	3a,16-Dihydroxyandrostenone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB00388	HMDB	NA	NA
+HMDB03956	7alpha-Hydroxytestosterone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB03956	HMDB	NA	NA
+HMDB04611	7a-Hydroxydehydroepiandrosterone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB04611	HMDB	NA	NA
+HMDB04624	7b-Hydroxydehydroepiandrosterone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB04624	HMDB	NA	NA
+HMDB06031	11-Ketoetiocholanolone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB06031	HMDB	NA	NA
+HMDB06259	6 beta hydroxy testosterone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB06259	HMDB	NA	NA
+HMDB06769	19-Hydroxytestosterone	C19H28O3	304.20383	http://www.hmdb.ca/metabolites/HMDB06769	HMDB	NA	NA
+HMDB00309	3a,16b-Dihydroxyandrostenone	C19H28O3	304.20383	HMDB00309	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00322	 16-Oxoandrostenediol	C19H28O3	304.20383	HMDB00322	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00352	16a-Hydroxydehydroisoandrosterone	C19H28O3	304.20383	HMDB00352	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00388	3a,16-Dihydroxyandrostenone	C19H28O3	304.20383	HMDB00388	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03956	7alpha-Hydroxytestosterone	C19H28O3	304.20383	HMDB03956	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04611	7a-Hydroxydehydroepiandrosterone	C19H28O3	304.20383	HMDB04611	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04624	7b-Hydroxydehydroepiandrosterone	C19H28O3	304.20383	HMDB04624	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06031	11-Ketoetiocholanolone	C19H28O3	304.20383	HMDB06031	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06259	6 beta hydroxy testosterone	C19H28O3	304.20383	HMDB06259	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06769	19-Hydroxytestosterone	C19H28O3	304.20383	HMDB06769	PFEM_hmdb_metabocards_official	NA	NA
+MJ028263	13,14-Epoxy-4-hydroxy-19-nor-7-abieten-6-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028264	13-Hydroxy-1-silphinen-3-one; 2-Methylpropanoyl 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028265	15,17-Dihydroxyandrost-4-en-3-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028266	15-Nor-14-oxo-8(17),12-labdadien-18-oic acid 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028267	15-Nor-14-oxo-8(17),12-labdadien-19-oic acid 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028268	15-Nor-16-oxo-13-isocopalen-19-oic acid 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028269	16,17-Dihydroxyandrost-4-en-3-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028270	17-Nor-16-oxo-19-kauranoic acid; ent-form 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028271	2-Heptyl-3,6-dihydroxy-5-prenylbenzaldehyde 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028272	3,16-Dihydroxyandrost-5-en-17-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028273	3,17-Dihydroxyandrost-5-en-16-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028274	3-Hydroxy-9,11-eremophiladien-8-one, O-(2-Methylpropanoyl) 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028275	3-Hydroxyandrostane-11,17-dione 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028276	4,17-Dihydroxy-19-nor-8(14),15-isopimaradien-7-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028277	4-Hydroxy-18-nor-8,11,13-abietatrien-7-one; 4-Epimer, 4-hydroperoxide, 7?-alcohol 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028278	8,14-Dihydroxy-19-nor-4(18),15-isopimaradien-7-one 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028279	8-Heptadecene-4,6-diyne-1,10-diol, 1-Ac 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028280	8-Heptadecene-4,6-diyne-3,10-diol, 10-Ac 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028281	9-Heptadecene-4,6-diyn-3-one, 9R,10S-Epoxide, 3-alcohol, Ac 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028282	Cannabiglendol 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028283	Coprophilin 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028284	Haploparviolide 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028285	Monacolin J; 1-Deoxy 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028286	Nordictyotalide 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028287	Sandresolide A 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028288	16alpha-Hydroxydehydroepiandrosterone 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028289	19-Hydroxytestosterone 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MJ028290	7alpha-Hydroxytestosterone 	C19H28O3	304.203844	NA	MeJP	NA	NA
+MetaCyc02723	19-hydroxytestosterone []	C19H28O3	304.203845	NA	metacyc	NA	NA
+HMDB00309	3a,16b-Dihydroxyandrostenone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB00322	16-Oxoandrostenediol	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB00324	3a,16a-Dihydroxyandrostenone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB00352	16a-Hydroxydehydroisoandrosterone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB00388	3a,16-Dihydroxyandrostenone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB03956	7a-Hydroxytestosterone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB04611	7a-Hydroxydehydroepiandrosterone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB04624	7b-Hydroxydehydroepiandrosterone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB06031	11-Ketoetiocholanolone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB06259	6beta-Hydroxytestosterone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB06769	19-Hydroxytestosterone	C19H28O3	304.203857	NA	HMDB2010	NA	NA
+HMDB00324	3a,16a-Dihydroxyandrostenone	C19H28O3	304.20386	http://www.hmdb.ca/metabolites/HMDB00324	HMDB	NA	NA
+HMDB00324	3a,16a-Dihydroxyandrostenone	C19H28O3	304.20386	HMDB00324	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0726	Hydroxyoctanoylcarnitine [(M+H)]+ (13C)	C1413CH30NO5	304.207375	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0726	Hydroxyoctanoylcarnitine [(M+H)]+ (13C)	C1413CH30NO5	304.207375	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ028291	Gentamine C2 	C13H28N4O4	304.211055	NA	MeJP	NA	NA
+MJ028292	Sannamycin E 	C13H28N4O4	304.211055	NA	MeJP	NA	NA
+C17984	Istamycin AP	C13H28N4O4	304.2111	NA	KEGG	NA	NA
+MJ028293	Flabelline; 12-Hydroxy 	C18H28N2O2	304.215078	NA	MeJP	NA	NA
+MJ028294	Jaborandine 	C18H28N2O2	304.215078	NA	MeJP	NA	NA
+MJ028295	Serratinidine 	C18H28N2O2	304.215078	NA	MeJP	NA	NA
+MJ028296	Vadocaine 	C18H28N2O2	304.215078	NA	MeJP	NA	NA
+C13797	RU 5135	C18H28N2O2	304.2151	NA	KEGG	NA	NA
+MJ028297	Temarotene 	C23H28	304.2191	NA	MeJP	NA	NA
+MJ028298	9,10,16-Trihydroxyhexadecanoic acid 	C16H32O5	304.224974	NA	MeJP	NA	NA
+MJ028299	Piperamide 	C17H28N4O	304.226311	NA	MeJP	NA	NA
+MJ028300	Peimunine 	C19H30NO2	304.227654	NA	MeJP	NA	NA
+EUR123	Arachidonic Acid	C20H32O2	304.2402	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR123	Arachidonic Acid	C20H32O2	304.2402	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR123	Arachidonic Acid	C20H32O2	304.2402	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR123	Arachidonic Acid	C20H32O2	304.2402	Wishlist	Inhousejuil11	NA	NA
+C00219	(5Z,8Z,11Z,14Z)-Icosatetraenoic acid	C20H32O2	304.2402	NA	KEGG	NA	NA
+C09057	Acutilol A	C20H32O2	304.2402	NA	KEGG	NA	NA
+C09124	2-Ketoepimanool	C20H32O2	304.2402	NA	KEGG	NA	NA
+C11897	Taxa-4(20),11(12)-dien-5alpha,13alpha-diol	C20H32O2	304.2402	NA	KEGG	NA	NA
+C14493	Methandriol	C20H32O2	304.2402	NA	KEGG	NA	NA
+C14605	Metholone	C20H32O2	304.2402	NA	KEGG	NA	NA
+C14956	3alpha-Hydroxy-2alpha-methyl-5alpha-androstan-17-one	C20H32O2	304.2402	NA	KEGG	NA	NA
+C15176	17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol	C20H32O2	304.2402	NA	KEGG	NA	NA
+C15252	17beta-Hydroxy-4alpha-methyl-5alpha-androstan-3-one	C20H32O2	304.2402	NA	KEGG	NA	NA
+C15367	3beta-Methoxyandrost-5-en-16beta-ol	C20H32O2	304.2402	NA	KEGG	NA	NA
+C17920	Dihydroabietic acid	C20H32O2	304.2402	NA	KEGG	NA	NA
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01043	Arachidonic acid	C20H32O2	304.24023	http://www.hmdb.ca/metabolites/HMDB01043	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01043	Arachidonic acid	C20H32O2	304.24023	http://www.hmdb.ca/metabolites/HMDB01043	HMDB	NA	NA
+HMDB02177	8,11,14,17-Eicosatetraenoic acid	C20H32O2	304.24023	http://www.hmdb.ca/metabolites/HMDB02177	HMDB	NA	NA
+HMDB06036	Mesterolone	C20H32O2	304.24023	http://www.hmdb.ca/metabolites/HMDB06036	HMDB	NA	NA
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	HMDB	NA	NA
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	Inhouse_PFEM	NA	NA
+MJ028301	1(10),13-Halimadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028302	1(10),13-Halimadiene-2,15-diol, 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028303	1(10),15-Rosadiene-3,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028304	1(15),17-Dolastadiene-3,4-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028305	1(15),8-Dolastadiene-14,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028306	1(15),8-Dolastadiene-2,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028307	1(15),8-Dolastadiene-4,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028308	1(15),8-Trinervitadiene-2,3-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028309	1(9),6,13-Xenicatrien-18-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028310	1,14-Epoxy-2,7,11-cembratrien-4-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028311	1,3,6,11-Cembratetraene-8,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028312	1,3,7,10-Cembratetraene-12,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028313	1,3,7,11-Cembratetraen-14-ol, 11?,12?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028314	1,3,7,11-Cembratetraen-14-ol, 7?,8?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028315	1,3,7,11-Cembratetraen-15-ol, 11,12-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028316	1,3,7,11-Cembratetraen-15-ol, 7R,8S-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028317	1,3,7,11-Cembratetraene-13,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028318	1,3,7,11-Cembratetraene-14,20-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028319	1,3,7,11-Cembratetraene, 3S,4S:11S,12S-Diepoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028320	1,3,7,11-Cembratetraene, 7S,8S:11S,12S-Diepoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028321	1,3,7,12(20)-Cembratetraene-11,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028322	1,3,8(19),11-Cembratetraene-7,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028323	1,3,8,11-Cembratetraene-7,14-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028324	1,3-Dolastadiene-9,13-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028325	1,4,6,10,14-Phytapentaene-3,13-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028326	1,6,10,14-Phytatetraene-3,13-diol, 13-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028327	1-(4-Hydroxyphenyl)-5-tetradecanone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028328	1-Hydroxy-12-kauranone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028329	1-Hydroxy-2,6,10,14-phytatetraen-13-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028330	10,14-Epoxy-17-cneoruben-4-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028331	11,14-Eicosadien-8-ynoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028332	11,16-Epoxy-17-kauranol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028333	11,16-Epoxy-3-kauranol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028334	11,16-Epoxy-7-kauranol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028335	11,16-Epoxy-9,10-seco-8,10(20),13-labdatrien-15-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028336	11-Hydroxy-15-kauranone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028337	11-Kaurene-16,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028338	11-Kaurene-7,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028339	12-Hydroxy-3,6-dolabelladien-9-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028340	12-Hydroxy-3,7-dolabelladien-2-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028341	12-Isocopalene-15,16-dial, 15-Alcohol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028342	13(16),14-Clerodadien-19-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028343	13(16),14-Labdadiene-8,18-diol, 18-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028344	13(16),14-Labdadiene-8,19-diol; 8?-form, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028345	13,16-Spatadiene-5,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028346	13,17-Spatadiene-5,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028347	13,18-Spatadiene-5,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028348	13-Atisene-16,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028349	13-Atisene-3,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028350	13-Hydroxy-5-neoverrucosanone; 13àOH-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028351	13-Hydroxy-8(14)-abieten-19-al; 13?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028352	13-Hydroxy-8,14-labdadien-7-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028353	13-Verrucosene-2,9-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028354	13-Villanovene-2,19-diol; 3?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028355	14,15-Epoxy-1(10),3-pachydictyadien-6-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028356	14,15-Epoxy-4,8(19)-xeniaphylladiene; 4?,5?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028357	14,16-Epoxy-7-isopimaren-15-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028358	14,16-Epoxy-8-isopimaren-15-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028359	14,17-Epoxy-8,10,13(15)-lobatrien-18-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028360	14,18-Epoxy-8,10,13(15)-lobatrien-17-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028361	14-Phenyltetradecanoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028362	15,16-Epoxy-13(16),14-halimadien-5-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028363	15-Beyeren-18-ol; ent-form, 15?,16?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028364	15-Beyeren-19-ol; ent-form, 15?,16?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028365	15-Beyerene-12,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028366	15-Beyerene-12,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028367	15-Beyerene-17,19-diol; ent-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028368	15-Beyerene-18,19-diol; ent-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028369	15-Beyerene-3,12-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028370	15-Beyerene-3,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028371	15-Beyerene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028372	15-Beyerene-7,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028373	15-Isopimarene-7,8-diol, 7-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028374	15-Isopimarene-8,20-diol; 20-Aldehyde, internal hemiacetal 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028375	15-Kauren-17-ol; ent-form, 15?,16?-Epoxy 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028376	15-Kaurene-17,18-diol; ent-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028377	15-Kaurene-17,19-diol; ent-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028378	15-Kaurene-3,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028379	15-Kaurene-7,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028380	15-Nor-9,10-seco-5(10),8,11-labdatrien-14-oic acid; Me ester 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028381	16,19-Kauranediol, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028382	16-Hellicallenal; 14,15-Dihydro, 16-carboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028383	16-Hydroxy-3-phyllocladanone; 16?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028384	16-Kauren-18-ol; ent-form, 16?,17-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028385	16-Kauren-19-ol; ent-form, 16?,17-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028386	16-Kaurene-1,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028387	16-Kaurene-11,15-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028388	16-Kaurene-11,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028389	16-Kaurene-13,19-diol; ent-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028390	16-Kaurene-15,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028391	16-Kaurene-2,15-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028392	16-Kaurene-3,13-diol; 3?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028393	16-Kaurene-3,15-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028394	16-Kaurene-3,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028395	16-Kaurene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028396	16-Kaurene-6,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028397	16-Kaurene-7,15-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028398	16-Kaurene-7,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028399	16-Kaurene-9,11-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028400	16-Spongianone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028401	17,18-Epoxy-8,10,13(15)-lobatrien-14-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028402	17,18-Epoxy-8,10,13(15)-lobatrien-16-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028403	17,19-Kauranediol, 17-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028404	17,19-Kauranediol, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028405	17-Hydroxy-17-methylandrostan-3-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028406	17-Hydroxy-3-kauranone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028407	17-Kauranal, 17-Carboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028408	17-Methylandrost-5-ene-3,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028409	18,19-Epoxy-1(9),6,13-xenicatrien-18-ol; 18?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028410	18-Hydroxy-13(15),16-sphenolobadien-4-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028411	18-Hydroxy-15-kauranone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028412	18-Hydroxy-7,8-seco-6,12,14-labdatrien-8-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028413	18-Methyl-5,8,11,14-nonadecatetraenoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028414	19-Kauranoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028415	2,12-Cyathadiene-1,8-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028416	2,16-Epoxy-16-verrucosanol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028417	2,17-Sphenolobadiene-4,13-diol; 4-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028418	2,4(18),13-Clerodatriene-15,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028419	2,4(18)-Clerodadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028420	2,6,10,14-Phytatetraen-1-ol, Aldehyde, 4S-hydroxy 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028421	2,6,10,14-Phytatetraen-1-ol, Aldehyde,14?,15?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028422	2,6,10-Farnesatrien-1-ol, Angeloyl 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028423	2,7,11-Cembratriene-4,10-diol, 10-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028424	2,8(19),14-Xeniaphyllatriene-5,13-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028425	2,9-Verrucosanediol, 9-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028426	2-(13-Hexadecen-15-ynyl)cyclopropanecarboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028427	2-Hydroxy-5-fusicoccen-4-one; 2?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028428	2-Isocomen-14-ol; 3-Methylbutanoyl 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028429	2-Methyl-5-(8-tridecenyl)-1,3-benzenediol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028430	3,13-Clerodadien-15-ol, 15-Carboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028431	3,13-Clerodadiene-15,17-diol, 15,17-Dialdehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028432	3,13-Clerodadiene-15,17-diol, 15-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028433	3,14-Clerodadiene-2,13-diol, 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028434	3,14-Epoxy-1,7,11-cembratrien-4-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028435	3,16-Kauranediol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028436	3,4-Epoxy-13(15),16-sphenolobadien-18-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028437	3,4-Epoxy-7,11,15(17)-cembratrien-16-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028438	3,4-Seco-2-verrucosene-5,6-diol, 5-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028439	3,4:11,12-Diepoxy-7,15-cembradiene 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028440	3,5,10-Bisabolatrien-12-ol; 2-Methylbutanoyl 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028441	3,5,10-Bisabolatrien-12-ol; 3-Methylbutanoyl 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028442	3,7,11,15(17)-Cembratetraene-2,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028443	3,7,11,15-Cembratetraen-13-ol, 7S,8S-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028444	3,7,11,15-Cembratetraen-13-ol, 11S,12S-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028445	3,7,11,15-Cembratetraen-14-ol, 3?,4?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028446	3,7,11,15-Cembratetraene, 3R,4R:15?,16-Diepoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028447	3,7,12(18)-Dolabellatriene, 3?,4?:7?,8?-Diepoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028448	3,7,12-Dolabellatrien-6-ol; 3?,4?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028449	3,7,18-Dolabellatrien-14-one, 14?-Alcohol, 3?,4?-epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028450	3,7-Dolabelladiene-9,12-diol, 9-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028451	3,8-Epoxy-1(15)-trinerviten-2-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028452	3-Cleroden-15,16-olide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028453	3-Cleroden-15-oic acid, 1,2-Didehydro 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028454	3-Hydroxy-1,4,6,10,14-phytapentaen-13-one, 14,15-Dihydro 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028455	3-Hydroxy-1,6,10,14-phytatetraen-12-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028456	3-Hydroxy-5(10),13-halimadien-15-al 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028457	3-Prenyleudesmene-2,13-dione 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028458	3-Sphenolobene-5,16-dione 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028459	4(15)-Eudesmen-6-ol, Angeloyl 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028460	4(15)-Eudesmen-6-ol, Tigloyl 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028461	4(16),7,11-Dolabellatriene-10,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028462	4(18),13-Clerodadien-15-ol, 15-Carboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028463	4(18),8(19),14-Xeniaphyllatriene-5,13-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028464	4,7,10,13-Eicosatetraenoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028465	4,8(17),12(18)-Dolabellatriene-3,7-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028466	4,8(19),13-Xeniaphyllatrien-15-ol; 4,5-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028467	4,8(19),14-Xeniaphyllatrien-13-ol; 4,5-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028468	4,8,18-Dolabellatriene-3,16-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028469	4-Hydroxy-2,7,12-cembratrien-10-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028470	4-Hydroxy-2,8,11-cembratrien-10-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028471	5(10),13-Halimadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028472	5,11,14,17-Eicosatetraenoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028473	5,15-Rosadiene-3,19-diol; 3?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028474	5,20-Epoxy-15-rosen-20-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028475	5,8,11,14-Eicosatetraenoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028476	6,10-Epoxy-1(14),4(16)-neodolabelladien-8-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028477	6,13-Epoxy-4(18),8-eunicelladien-12-ol, ?3-Isomer 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028478	6,8(17)-Labdadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028479	6-Hydroxy-11,12-seco-3,7,11-dolabellatrien-12-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028480	7,13-Clerodadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028481	7,13-Labdadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028482	7,13-Labdadiene-2,15-diol, 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028483	7,13-Labdadiene-3,15-diol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028484	7,13-Labdadiene-6,15-diol, 6-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028485	7,14-Labdadiene-3,13-diol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028486	7,14-Labdadiene-6,13-diol, 6-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028487	7,15-Isopimaradiene-14,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028488	7,15-Isopimaradiene-18,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028489	7,15-Isopimaradiene-3,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028490	7,15-Pimaradiene-2,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028491	7,15-Pimaradiene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028492	7,18-Trachylobanediol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028493	7-Dolabellene-2,13-dione 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028494	7-Hydroxy-1,6-cyclo-2,10,14-phytatrien-4-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028495	8(12),17-Sacculatadien-11-ol; Carboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028496	8(14),15-Isopimaradiene-1,11-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028497	8(14),15-Isopimaradiene-1,2-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028498	8(14),15-Isopimaradiene-1,5-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028499	8(14),15-Isopimaradiene-1,7-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028500	8(14),15-Isopimaradiene-1,9-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028501	8(14),15-Isopimaradiene-12,18-diol; 12?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028502	8(14),15-Isopimaradiene-2,18-diol; 2?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028503	8(14),15-Isopimaradiene-3,12-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028504	8(14),15-Isopimaradiene-3,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028505	8(14),15-Isopimaradiene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028506	8(14),15-Isopimaradiene-3,9-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028507	8(14),15-Isopimaradiene-7,18-diol; 7?-form 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028508	8(14),15-Pimaradiene-3,11-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028509	8(14),15-Pimaradiene-3,12-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028510	8(14),15-Pimaradiene-3,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028511	8(14),15-Pimaradiene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028512	8(14)-Abietene-3,13-diol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028513	8(17),12,14-Labdatriene-18,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028514	8(17),12,14-Labdatriene-2,3-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028515	8(17),12,14-Labdatriene-3,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028516	8(17),12,14-Labdatriene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028517	8(17),12-Labdadien-15-oic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028518	8(17),12-Labdadiene-15,16-diol, 16-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028519	8(17),13-Labdadien-15-ol, 15-Carboxylic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028520	8(17),13-Labdadiene-15,19-diol, 15-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028521	8(17),13-Labdadiene-15,19-diol, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028522	8(17),13-Labdadiene-15,19-diol, 15-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028523	8(17),13-Labdadiene-2,15-diol, 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028524	8(17),13-Labdadiene-2,15-diol, 15-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028525	8(17),13-Labdadiene-3,15-diol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028526	8(17),14-Labdadiene-13,19-diol, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028527	8(17),14-Labdadiene-2,13-diol, 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028528	8(17),14-Labdadiene-3,13-diol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028529	8(17)-Labdene-15,19-diol, Dialdehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028530	8,10,13(15),16-Lobatetraen-18-ol; 13?,15?-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028531	8,10,13(15),18-Lobatetraene-16,17-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028532	8,11,14,17-Eicosatetraenoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028533	8,11-Epoxy-2,6,12-cembratrien-4-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028534	8,13-Epoxy-14-labden-11-ol, 11-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028535	8,13-Epoxy-14-labden-12-ol, 12-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028536	8,13-Epoxy-14-labden-2-ol, 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028537	8,13-Epoxy-14-labden-3-ol, 3-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028538	8,13-Labdadiene-15,19-diol, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028539	8,13-Labdadiene-7,15-diol, 7-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028540	8,14-Labdadiene-13,19-diol, 19-Aldehyde 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028541	8,15-Isopimaradiene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028542	8,15-Isopimaradiene-7,18-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028543	8-Hydroxy-15-isopimaren-3-one 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028544	9(11),15-Isopimaradiene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028545	9(11),15-Pimaradiene-3,19-diol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028546	9,13-Epoxy-7,14-labdadien-6-ol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028547	Acaciahemiacetal A 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028548	Ambliol A 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028549	Anisotomenoic acid 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028550	Asperketal A 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028551	Asperketal D 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028552	Asperketal F 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028553	Bissaone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028554	Calyculones 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028555	Dictyol B 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028556	Dictyol D 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028557	Dictyol E 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028558	Dictyol F 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028559	Dictyone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028560	Dictyotadiol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028561	Dictyoxepin 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028562	Dictyoxide ; 2?-Hydroxy 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028563	Drostanolone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028564	Fregenedadiol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028565	Fusicoauritone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028566	Fusicogigantepoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028567	Fusicogigantone A 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028568	Fusicogigantone B 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028569	Hatcherenone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028570	Isofregendadiol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028571	Mesterolone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028572	Mucosin 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028573	Pachydictyol A; 10?,19-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028574	Pachydictyol A; 14R,15-Epoxide 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028575	Pachydictyol A; 8?-Hydroxy 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028576	Parryin 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028577	Premnenol 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028578	Sacculaporellin 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028579	Stemodin; 2-Ketone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028580	Velloziolone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028581	Vibsanin F 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028582	Xeniolone 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MJ028583	Arachidonate 	C20H32O2	304.24023	NA	MeJP	NA	NA
+MetaCyc02724	taxa-4(20),11-dien-5&alpha;,13&alpha;-diol []	C20H32O2	304.24023	NA	metacyc	NA	NA
+MetaCyc02725	arachidonate [5,8,11,14-icosatetraenoate;arachidonic acid;arachidonate;]	C20H32O2	304.24023	506-32-1	metacyc	NA	NA
+HMDB01043	Arachidonic acid	C20H32O2	304.24023	http://www.hmdb.ca/metabolites/HMDB01043	PFEM_hmdb_metabocards_blood	NA	blood
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR123	Arachidonic Acid	C20H32O2	304.24023	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01043	Arachidonic acid	C20H32O2	304.24023	HMDB01043	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02177	8,11,14,17-Eicosatetraenoic acid	C20H32O2	304.24023	HMDB02177	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06036	Mesterolone	C20H32O2	304.24023	HMDB06036	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01043	Arachidonic acid	C20H32O2	304.240234	NA	HMDB2010	NA	NA
+HMDB02177	8,11,14,17-Eicosatetraenoic acid	C20H32O2	304.240234	NA	HMDB2010	NA	NA
+HMDB06036	Mesterolone	C20H32O2	304.240234	NA	HMDB2010	NA	NA
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR506	Acide Arachidonique F1	NA	304.242125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR506	Acide Arachidonique F1	NA	304.242125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR506	Acide Arachidonique F1	NA	304.242125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR506	Acide Arachidonique F1	NA	304.242125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR506	Arachidonique Acid 	C20H32O2	304.242125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ028584	Ikimine A 	C19H32N2O	304.251463	NA	MeJP	NA	NA
+MJ028585	Ikimine B 	C19H32N2O	304.251463	NA	MeJP	NA	NA
+C00892	Pregnan-21-ol	C21H36O	304.2766	NA	KEGG	NA	NA
+C00893	Primary monoamine	NH2R	304.2766	NA	KEGG	NA	NA
+MJ028586	2-(2,5-Octadienyl)-3-undecyloxirane, 7',8'-Didehydro 	C21H36O	304.276615	NA	MeJP	NA	NA
+MJ028587	2-Methyl-2,6,9-eicosatrienal 	C21H36O	304.276615	NA	MeJP	NA	NA
+MJ028588	3-Pentadecylphenol 	C21H36O	304.276615	NA	MeJP	NA	NA
+MJ028589	Dictyotin B; Me ether 	C21H36O	304.276615	NA	MeJP	NA	NA
+MetaCyc02726	pregnan-21-ol [2-[(10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanol;]	C21H36O1	304.276616	NA	metacyc	NA	NA
+MJ028590	15-Docosen-1-yne 	C22H40	304.313001	NA	MeJP	NA	NA
+MJ028591	3,6,9-Docosatriene 	C22H40	304.313001	NA	MeJP	NA	NA
+MJ028592	5-Chloro-8-hydroxy-7-iodoquinoline 	C9H5ClINO	304.910434	NA	MeJP	NA	NA
+MJ028593	(2-Iodobenzoyl)aminoacetic acid 	C9H8INO3	304.954886	NA	MeJP	NA	NA
+MJ028594	4-Aminobenzenestibonic acid; N-Ac 	C8H10NO4Sb	304.9648	NA	MeJP	NA	NA
+MJ028595	Aplysinopsin; 6-Bromo, 3'-deimino, 3'-oxo, N2',N4'-di-de-Me 	C12H8BrN3O2	304.979989	NA	MeJP	NA	NA
+C10971	Isoimide	C14H12BrNO2	305.0051	NA	KEGG	NA	NA
+C10972	Imide	C14H12BrNO2	305.0051	NA	KEGG	NA	NA
+MJ028596	Deoxyrubroflavin; 3S,5,5-S-Trioxide 	C9H11N3O5S2	305.014011	NA	MeJP	NA	NA
+C15297	2,4-Dinitro-1-(3-nitrophenoxy)benzene	C12H7N3O7	305.0284	NA	KEGG	NA	NA
+MJ028597	2',3'-Cyclic CMP 	C9H12N3O7P	305.041286	NA	MeJP	NA	NA
+MetaCyc02727	3',5'-cyclic CMP [cyclic-CMP;cCMP;cytidine cyclic-monophosphate;cytidine 3',5'-cyclic monophosphate;]	C9H12N3O7P1	305.041286	08/08/3616	metacyc	NA	NA
+MetaCyc02728	cytidine 2',3'-cyclic monophosphate []	C9H12N3O7P1	305.041286	NA	metacyc	NA	NA
+HMDB11691	Cytidine 2',3'-cyclic phosphate	C9H12N3O7P	305.04129	NA	HMDB2010	NA	NA
+C00941	3',5'-Cyclic CMP	C9H12N3O7P	305.0413	NA	KEGG	NA	NA
+C02354	2',3'-Cyclic CMP	C9H12N3O7P	305.0413	NA	KEGG	NA	NA
+MJ028598	Sulfoniazide 	C13H11N3O4S	305.047026	NA	MeJP	NA	NA
+MetaCyc02729	4-(&beta;-D-ribofuranosyl)aminobenzene-5'-phosphate [&beta;-RFAP;]	C11H16N1O7P1	305.066438	NA	metacyc	NA	NA
+C09347	Atherospermidine	C18H11NO4	305.0688	NA	KEGG	NA	NA
+MJ028599	Atherospermidine 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028600	Bianfugedine 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028601	Cepharadione A 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028602	Hernanymphine 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028603	Lanuginosine 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028604	Oxolaureline 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028605	Oxoputerine 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028606	Oxostephanine 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028607	Phenanthroviridin; Aglycone 	C18H11NO4	305.068807	NA	MeJP	NA	NA
+MJ028608	Climiqualine 	C18H12ClN3	305.071975	NA	MeJP	NA	NA
+HMDB05010	Sertraline	C17H17Cl2N	305.07379	http://www.hmdb.ca/metabolites/HMDB05010	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05010	Sertraline	C17H17Cl2N	305.07379	http://www.hmdb.ca/metabolites/HMDB05010	HMDB	NA	NA
+HMDB05010	Sertraline	C17H17Cl2N	305.07379	http://www.hmdb.ca/metabolites/HMDB05010	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05010	Sertraline	C17H17Cl2N	305.07379	HMDB05010	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05010	Sertraline	C17H17Cl2N	305.073792	NA	HMDB2010	NA	NA
+C07246	Sertraline	C17H17Cl2N	305.0738	NA	KEGG	NA	NA
+MJ028609	Sertraline 	C17H17Cl2N	305.073804	NA	MeJP	NA	NA
+MJ028610	Bromantan 	C16H20BrN	305.077912	NA	MeJP	NA	NA
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR334	8-hydroxydeoxyguanosine F3	NA	305.078175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR334	8-hydroxydeoxyguanosine F3	NA	305.078175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR334	8-hydroxydeoxyguanosine F3	NA	305.078175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR334	8-hydroxydeoxyguanosine F3	NA	305.078175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR334	8-hydroxydeoxyguanosine F3	F3	305.078175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C13752	Phenylamil	C12H12ClN7O	305.0792	NA	KEGG	NA	NA
+MJ028611	Clofeverine 	C16H16ClNO3	305.081871	NA	MeJP	NA	NA
+MJ028612	Fenoldopam 	C16H16ClNO3	305.081871	NA	MeJP	NA	NA
+MJ028613	Nicofibrate 	C16H16ClNO3	305.081871	NA	MeJP	NA	NA
+C07693	Fenoldopam	C16H16ClNO3	305.0819	NA	KEGG	NA	NA
+C07694	Transferred to D00613	C16H16ClNO3	305.0819	NA	KEGG	NA	NA
+CJneg0510	Asp-Leu / Asp-Ile [(M-H)+(NaCl)]- (13C)	C913CH17ClN2NaO5	305.084125	C18rt(min)=4.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0510	Asp-Leu / Asp-Ile [(M-H)+(NaCl)]- (13C)	C913CH17ClN2NaO5	305.084125	C18rt(min)=4.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C08430	Convicine	C10H15N3O8	305.0859	NA	KEGG	NA	NA
+PJ000230	GDD 	C10H15N3O8	305.0859	NA	PeJP	NA	NA
+MJ028614	Ascorbigen 	C15H15NO6	305.089937	NA	MeJP	NA	NA
+MJ028615	Renierol; 1,2-Dihydro, O-Ac, N-formyl 	C15H15NO6	305.089937	NA	MeJP	NA	NA
+MJ028616	Pirimiphos-methyl 	C11H20N3O3PS	305.096298	NA	MeJP	NA	NA
+MJ028617	Pyrimitate 	C11H20N3O3PS	305.096298	NA	MeJP	NA	NA
+HMDB12226	Entacapone	C14H15N3O5	305.101166	NA	HMDB2010	NA	NA
+MJ028618	Entacapone 	C14H15N3O5	305.10117	NA	MeJP	NA	NA
+MJ028619	Pyriculamide 	C14H15N3O5	305.10117	NA	MeJP	NA	NA
+C07943	Entacapone	C14H15N3O5	305.1012	NA	KEGG	NA	NA
+C07945	Transferred to D00782	C14H15N3O5	305.1012	NA	KEGG	NA	NA
+C07946	Botulinum toxin type A	C14H15N3O5	305.1012	NA	KEGG	NA	NA
+C07947	Transferred to D00784	C14H15N3O5	305.1012	NA	KEGG	NA	NA
+C07948	Transferred to D00785	C14H15N3O5	305.1012	NA	KEGG	NA	NA
+PJ000231	SPC 	C11H19N3O5S	305.1046	NA	PeJP	NA	NA
+MJ028620	4-Methoxy-2-(3,4-methylenedioxystyryl)quinoline 	C19H15NO3	305.105193	NA	MeJP	NA	NA
+MJ028621	Anonaine, 6a,7-Didehydro, N-Ac 	C19H15NO3	305.105193	NA	MeJP	NA	NA
+MJ028622	Duguenaine 	C19H15NO3	305.105193	NA	MeJP	NA	NA
+MJ028623	Trichoguattine 	C19H15NO3	305.105193	NA	MeJP	NA	NA
+MetaCyc02730	entacapone [comtan;2-cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)propenamide;]	C15H17N2O5	305.113747	NA	metacyc	NA	NA
+MJ028624	3,4-Dihydro-3-(1H-indol-3-yl)methyl-1H-1,4-benzodiazepine-2,5-dione 	C18H15N3O2	305.116426	NA	MeJP	NA	NA
+MJ028625	Naucledine 	C18H15N3O2	305.116426	NA	MeJP	NA	NA
+MJ028626	Dribendazole 	C15H19N3O2S	305.119797	NA	MeJP	NA	NA
+MJ028627	Nitropeptin 	C11H19N3O7	305.122299	NA	MeJP	NA	NA
+PJ000232	GTE 	C11H19N3O7	305.1223	NA	PeJP	NA	NA
+MJ028628	1,5-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-2H-pyrrol-2-one 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028629	Crinamabine 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028630	Duricaulic acid 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028631	Macranthine 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028632	Peepuloidine 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028633	Peyonine 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028634	Piplartine; 3'-Demethoxy, 3,4-epoxide, 8,9-dihydro 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028635	Rohitukine 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028636	Sickenbergine 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028637	Zanthodioline 	C16H19NO5	305.126322	NA	MeJP	NA	NA
+MJ028638	Zaleplon 	C17H15N5O	305.12766	NA	MeJP	NA	NA
+C07484	Zaleplon	C17H15N5O	305.1277	NA	KEGG	NA	NA
+CJpos0727	Indoleacetyl glutamine [(M+H)]+ (13C2)	C1313C2H18N3O4	305.128075	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0727	Indoleacetyl glutamine [(M+H)]+ (13C2)	C1313C2H18N3O4	305.128075	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+3098	fragment of bovine beta casein (91-93)	GVM	305.1294	celiac toxic	Inhouse_peptide	NA	peptide
+MJ028639	Abunidazole 	C15H19N3O4	305.137556	NA	MeJP	NA	NA
+MJ028640	Echinoramine I 	C15H19N3O4	305.137556	NA	MeJP	NA	NA
+MJ028641	Tropabazate 	C15H19N3O4	305.137556	NA	MeJP	NA	NA
+PJ000233	TW 	C15H19N3O4	305.1376	NA	PeJP	NA	NA
+7846	NA	YPFW~	305.139	MH2+	Inhouse_peptide	NA	peptide
+MJ028642	Spirazine 	C15H20ClN5	305.140723	NA	MeJP	NA	NA
+PJ000234	GVM 	C12H23N3O4S	305.1409	NA	PeJP	NA	NA
+MJ028643	Benzosimuline 	C20H19NO2	305.141578	NA	MeJP	NA	NA
+PJ000235	MR 	C11H23N5O3S	305.1522	NA	PeJP	NA	NA
+MJ028644	2-[[[2-(1H-Imidazol-4-yl)-1-methylethyl]imino]phenylmethyl]phenol 	C19H19N3O	305.152812	NA	MeJP	NA	NA
+MJ028645	Goshuyuamide I 	C19H19N3O	305.152812	NA	MeJP	NA	NA
+MJ028646	Nauclechine; Natural-form, Decarbomethoxy 	C19H19N3O	305.152812	NA	MeJP	NA	NA
+MJ028647	Naucleonidine, Decarbomethoxy 	C19H19N3O	305.152812	NA	MeJP	NA	NA
+MJ028648	Vasicoline; 9-Oxo 	C19H19N3O	305.152812	NA	MeJP	NA	NA
+C10912	Buprofezin	C16H23N3OS	305.1562	NA	KEGG	NA	NA
+MJ028649	Syndesine 	C12H23N3O6	305.158685	NA	MeJP	NA	NA
+PJ000236	SSL 	C12H23N3O6	305.1587	NA	PeJP	NA	NA
+C01564	Cetraxate	C17H23NO4	305.1627	NA	KEGG	NA	NA
+C03325	(6S)-Hydroxyhyoscyamine	C17H23NO4	305.1627	NA	KEGG	NA	NA
+C10613	Porritoxin	C17H23NO4	305.1627	NA	KEGG	NA	NA
+C10710	Lunacridine	C17H23NO4	305.1627	NA	KEGG	NA	NA
+C10842	Anisodamine	C17H23NO4	305.1627	NA	KEGG	NA	NA
+C10854	Convolamine	C17H23NO4	305.1627	NA	KEGG	NA	NA
+MJ028650	(6S)-Hydroxyhyoscyamine 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028651	2-(?-Hydroxybenzyl)-3,6-tropanediol; O6-Ac 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028652	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, piperidide 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028653	6-Hydroxyhyoscyamine 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028654	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(4-Methoxyphenylacetyl) 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028655	Bucumolol 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028656	Cetraxate 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028657	Convolvine; N-Me 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028658	Galanthamine, 1,2-Dihydro, N-oxide 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028659	Hippeastidine; O3-De-Me 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028660	Isophellibilidine 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028661	Lunacridine 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028662	Norcoronatine 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028663	Phellibilidine 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028664	Stemoninoamide 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028665	Tropine tropate, N-Oxide (axial O) 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MJ028666	Tropine tropate, N-Oxide (equatorial O) 	C17H23NO4	305.162708	NA	MeJP	NA	NA
+MetaCyc02731	(6S)-hydroxyhyoscyamine [(6S)-6-hydroxyhyoscyamine;]	C17H23N1O4	305.162708	NA	metacyc	NA	NA
+MetaCyc02732	cetraxate []	C17H23N1O4	305.162708	34675-84-8	metacyc	NA	NA
+MJ028667	Dapoxetine 	C21H23NO	305.177964	NA	MeJP	NA	NA
+MJ028668	Diferidin 	C21H23NO	305.177964	NA	MeJP	NA	NA
+MJ028669	Phenoperidone 	C21H23NO	305.177964	NA	MeJP	NA	NA
+MJ028670	Amicetamine 	C14H27NO6	305.183837	NA	MeJP	NA	NA
+MJ028671	Amiprilose 	C14H27NO6	305.183837	NA	MeJP	NA	NA
+MJ028672	Cianopramine 	C20H23N3	305.189197	NA	MeJP	NA	NA
+MJ028673	Fezolamine 	C20H23N3	305.189197	NA	MeJP	NA	NA
+MJ028674	Histaprodifen 	C20H23N3	305.189197	NA	MeJP	NA	NA
+MJ028675	3'-Methoxy-4'-O-methyljoubertiamine, 1?-Alcohol 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028676	Capsaicin 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028677	Droxypropine 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028678	Fawcettiine, 8-Ketone 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028679	Lycofoline; O5-Ac 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028680	Lycopecurine; 2?-Acetoxy 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028681	Lycophlegmarine 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028682	Lycopodium Base G 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028683	Lycopodium thyoides Alkaloid 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028684	Minepentate 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028685	Protoemetinol; Natural-form, O10-De-Me 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+MJ028686	Protoemetinol; Natural-form, O9-De-Me 	C18H27NO3	305.199093	NA	MeJP	NA	NA
+HMDB02227	Capsaicin	C18H27NO3	305.199097	NA	HMDB2010	NA	NA
+HMDB02227	Capsaicin	C18H27NO3	305.1991	http://www.hmdb.ca/metabolites/HMDB02227	HMDB	NA	NA
+C06866	Capsaicin	C18H27NO3	305.1991	NA	KEGG	NA	NA
+C06867	Transferred to D00251	C18H27NO3	305.1991	NA	KEGG	NA	NA
+HMDB02227	Capsaicin	C18H27NO3	305.1991	HMDB02227	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0728	Hydroxyoctanoylcarnitine [(M+H)]+ (18O)	C15H30NO418O	305.208275	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0728	Hydroxyoctanoylcarnitine [(M+H)]+ (18O)	C15H30NO418O	305.208275	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ028687	1,4-Epoxy-3-aza-A-homoandrostan-17-ol 	C19H31NO2	305.235479	NA	MeJP	NA	NA
+MJ028688	3-Amino-2-hydroxyandrostan-17-one 	C19H31NO2	305.235479	NA	MeJP	NA	NA
+MJ028689	Samandarine 	C19H31NO2	305.235479	NA	MeJP	NA	NA
+C15281	17beta-Nitro-5alpha-androstane	C19H31NO2	305.2355	NA	KEGG	NA	NA
+MJ028690	5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Pentadecyl-1H-pyrrole-2-carboxaldehyde 	C20H35NO	305.271864	NA	MeJP	NA	NA
+MJ028691	Clavepictine B 	C20H35NO	305.271864	NA	MeJP	NA	NA
+MJ028692	Pyrrolidine; N-(3,6-Hexadecadienoyl) 	C20H35NO	305.271864	NA	MeJP	NA	NA
+3419	NA	IRPVQ	305.6815	MH2+	Inhouse_peptide	NA	peptide
+MJ028693	2,3,3-Tribromo-2-propenoic acid 	C3HBr3O2	305.752667	NA	MeJP	NA	NA
+MJ028694	1-Bromo-1,2,4-trichloro-1-octen-3-one 	C8H10BrCl3O	305.89806	NA	MeJP	NA	NA
+C13522	Mitobronitol	C6H12Br2O4	305.9102	NA	KEGG	NA	NA
+C13523	Secretin	C128H216N44O38	305.9102	NA	KEGG	NA	NA
+MJ028695	1,6-Dibromo-1,6-dideoxygalactitol 	C6H12Br2O4	305.910234	NA	MeJP	NA	NA
+MJ028696	1,6-Dibromo-1,6-dideoxymannitol 	C6H12Br2O4	305.910234	NA	MeJP	NA	NA
+C14190	2,3,4,5-Tetrachloro-4'-biphenylol	C12H6Cl4O	305.9173	NA	KEGG	NA	NA
+C14376	4-Hydroxy-2,2',4',6'-tetrachlorobiphenyl	C12H6Cl4O	305.9173	NA	KEGG	NA	NA
+C14380	4-Hydroxy-2',3,4',6'-tetrachlorobiphenyl	C12H6Cl4O	305.9173	NA	KEGG	NA	NA
+C14733	2',3',4',5'-Tetrachloro-3-biphenylol	C12H6Cl4O	305.9173	NA	KEGG	NA	NA
+C15248	4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl	C12H6Cl4O	305.9173	NA	KEGG	NA	NA
+MJ028697	1,5,6-Trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene 	C10H11Cl5	305.930338	NA	MeJP	NA	NA
+MJ028698	Rimoprogin 	C8H7IN2OS	305.932376	NA	MeJP	NA	NA
+MJ028699	Pyrrolomycin E 	C10H5Cl3N2O3	305.936575	NA	MeJP	NA	NA
+C03987	3-Iodo-4-hydroxyphenylpyruvate	C9H7IO4	305.9389	NA	KEGG	NA	NA
+MJ028700	5-Bromo-2'-deoxyuridine 	C9H11BrN2O5	305.985134	NA	MeJP	NA	NA
+MJ028701	5-(3-Bromo-4-chloro-4-methylcyclohexyl)-5-methyl-2(5H)-furanone 	C12H16BrClO2	306.00222	NA	MeJP	NA	NA
+HMDB11640	Uridine 2',3'-cyclic phosphate	C9H11N2O8P	306.025299	NA	HMDB2010	NA	NA
+C02355	2',3'-Cyclic UMP	C9H11N2O8P	306.0253	NA	KEGG	NA	NA
+MJ028702	2',3'-Cyclic UMP 	C9H11N2O8P	306.025301	NA	MeJP	NA	NA
+MetaCyc02733	uridine 3'5'-cyclic monophosphate []	C9H11N2O8P1	306.025302	NA	metacyc	NA	NA
+MetaCyc02734	uridine 2'3'-cyclic monophosphate []	C9H11N2O8P1	306.025302	NA	metacyc	NA	NA
+C13623	Monobromobisphenol A	C15H15BrO2	306.0255	NA	KEGG	NA	NA
+MJ028703	Panacene 	C15H15BrO2	306.025542	NA	MeJP	NA	NA
+MJ028704	2-Chloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether 	C15H11ClO5	306.029501	NA	MeJP	NA	NA
+MJ028705	2-Chloro-1,5,8-trihydroxy-6-methylxanthone; 5-Me ether 	C15H11ClO5	306.029501	NA	MeJP	NA	NA
+MJ028706	4-Chloro-1,3,6-trihydroxy-8-methylxanthone; 3-Me ether 	C15H11ClO5	306.029501	NA	MeJP	NA	NA
+MJ028707	4-Chloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether 	C15H11ClO5	306.029501	NA	MeJP	NA	NA
+MJ028708	4-Chloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether 	C15H11ClO5	306.029501	NA	MeJP	NA	NA
+MJ028709	5-Chloro-1,4,8-trihydroxy-3-methylxanthone; 4-Me ether 	C15H11ClO5	306.029501	NA	MeJP	NA	NA
+HMDB03263	Pelargonidin	C15H11ClO5	306.02951	http://www.hmdb.ca/metabolites/HMDB03263	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03263	Pelargonidin	C15H11ClO5	306.02951	http://www.hmdb.ca/metabolites/HMDB03263	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03263	Pelargonidin	C15H11ClO5	306.02951	http://www.hmdb.ca/metabolites/HMDB03263	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03263	Pelargonidin	C15H11ClO5	306.02951	http://www.hmdb.ca/metabolites/HMDB03263	HMDB	NA	NA
+HMDB03263	Pelargonidin	C15H11ClO5	306.02951	HMDB03263	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03263	Pelargonidin	C15H11ClO5	306.02951	NA	HMDB2010	NA	NA
+C06673	4-Carboxy-4'-sulfoazobenzene	C13H10N2O5S	306.031	NA	KEGG	NA	NA
+MJ028710	4-Carboxy-4'-sulfoazobenzene 	C13H10N2O5S	306.031042	NA	MeJP	NA	NA
+MJ028711	Enoxamast 	C13H10N2O5S	306.031042	NA	MeJP	NA	NA
+MJ028712	Brevifolincarboxylic acid; Me ester 	C14H10O8	306.037567	NA	MeJP	NA	NA
+MJ028713	Oosporein 	C14H10O8	306.037567	NA	MeJP	NA	NA
+MJ028714	Phyllanthusiin E; Me ester 	C14H10O8	306.037567	NA	MeJP	NA	NA
+C04524	2-Protocatechoylphloroglucinolcarboxylate	C14H10O8	306.0376	NA	KEGG	NA	NA
+MJ028715	1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone 	C13H16Cl2O4	306.042564	NA	MeJP	NA	NA
+JH195	Glycitein [M+Na]+	NA	306.05046	16.16	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH195	Glycitein [M+Na]+	NA	306.05046	16.16	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH195	Glycitein [M+Na]+	NA	306.05046	16.16	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH195	Glycitein [M+Na]+	NA	306.05046	16.16	Inhousejuil11	NA	NA
+MJ028716	Cyathiformine B; 6-Deoxy, 6?-chloro 	C12H15ClO7	306.05063	NA	MeJP	NA	NA
+C12391	Kinobscurinone	C18H10O5	306.0528	NA	KEGG	NA	NA
+FL1A1CNF0001	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone	C18H10O5	306.05282	61755-77-9	knapsack	NA	NA
+FLIDWXNF0002	Neoduleen	C18H10O5	306.05282	238-67-5	knapsack	NA	NA
+MJ028717	2-(Phenylmethylene)benzo[1,2-b:3,4-b']difuran-3(2H)-one; 3',4'-Methylenedioxy 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028718	Calycin 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028719	Fluostatin A 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028720	Kinobscurinone 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028721	Neoduleen 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028722	Pachyrrhizomene 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028723	Pongaglabrone 	C18H10O5	306.052823	NA	MeJP	NA	NA
+MJ028724	N-(4-Hydroxyphenyl)-3-oxo-1,2-benzisothiazole-2(3H)-acetamide 1,1-dioxide 	C15H12H2O5S	306.056194	NA	MeJP	NA	NA
+MJ028725	Timefurone 	C15H14O5S	306.056194	NA	MeJP	NA	NA
+C11112	Isoprothiolane sulfoxide	C12H18O5S2	306.0596	NA	KEGG	NA	NA
+JH090	Hippuric acid [2M+K]+	NA	306.0638	10.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH090	Hippuric acid [2M+K]+	NA	306.0638	10.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH090	Hippuric acid [2M+K]+	NA	306.0638	10.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH090	Hippuric acid [2M+K]+	NA	306.0638	10.55	Inhousejuil11	NA	NA
+C00200	Phenazine methosulfate	C13H11N2	306.0674	NA	KEGG	NA	NA
+C00201	Nucleoside triphosphate	C5H12O13P3R	306.0674	NA	KEGG	NA	NA
+MJ028726	Acediasulfone 	C14H14N2O4S	306.067427	NA	MeJP	NA	NA
+MJ028727	Tioxamast 	C14H14N2O4S	306.067427	NA	MeJP	NA	NA
+FL63AGNS0002	(+)-Gallocatechin;(+)-Gallocatechol;Gallocatechin;(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol	C15H14O7	306.07395	970-73-0	knapsack	NA	NA
+FL63AGNS0003	Epigallocatechin	C15H14O7	306.07395	970-74-1	knapsack	NA	NA
+FL6D1GNS0001	Robinetinidol-4alpha-ol	C15H14O7	306.07395	4382-45-0	knapsack	NA	NA
+FL6D3CNS0001	Mesquitol-4beta-ol	C15H14O7	306.07395	38081-15-1	knapsack	NA	NA
+FL6D3CNS0002	Epimesquitol-4alpha-ol	C15H14O7	306.07395	38081-16-2	knapsack	NA	NA
+FL6D3CNS0003	Epimesquitol-4beta-ol	C15H14O7	306.07395	38081-17-3	knapsack	NA	NA
+FL6DACNS0001	Leucocyanidin	C15H14O7	306.07395	480-17-1	knapsack	NA	NA
+FL6DACNS0002	Catechin-4beta-ol	C15H14O7	306.07395	93527-39-0	knapsack	NA	NA
+MJ028728	Leucocyanidin 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028729	2,5,6,8-Tetrahydroxy-3-(2-oxopropyl)-1,4-naphthoquinone; 6,8-Di-Me ether 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028730	3,3',4',5,5',7-Hexahydroxyflavan 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028731	3,3',4,4',5',7-Hexahydroxyflavan 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028732	3,3',4,4',5,7-Hexahydroxyflavan 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028733	3,3',4,4',7,8-Hexahydroxyflavan 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028734	6-(3,4-Methylenedioxyphenyl)-2H-pyran-2-one; 2',4,5-Trimethoxy 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028735	Canescin A 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028736	Dehydroaltenusinic acid 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028737	Fusarubin 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028738	Isofusarubin 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028739	Novarubin 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028740	Plagiogyrin A 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MJ028741	Ptaerocyclin 	C15H14O7	306.073952	NA	MeJP	NA	NA
+MetaCyc02735	leucocyanidin [a flavan-3,4-diol;2,3-trans-3,4-cis-leucocyanidin;]	C15H14O7	306.073953	NA	metacyc	NA	NA
+C05906	Leucocyanidin	C15H14O7	306.074	NA	KEGG	NA	NA
+C12127	(+)-Gallocatechin	C15H14O7	306.074	NA	KEGG	NA	NA
+C12136	(-)-Epigallocatechin	C15H14O7	306.074	NA	KEGG	NA	NA
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	306.075989	MH2+	Inhouse_peptide	NA	peptide
+MJ028742	2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-Sulfate 	C12H18O7S	306.077323	NA	MeJP	NA	NA
+MJ028743	Sulfisomidine; N4-Formyl 	C13H14N4O3S	306.078661	NA	MeJP	NA	NA
+MJ028744	2-[(2-Methyl-1H-imidazol-1-yl)methyl]-1H-naphtho[2,1-b]thiopyran-1-one 	C18H14N2OS	306.082683	NA	MeJP	NA	NA
+MetaCyc02736	2-oxindole-3-acetyl-asp [2-oxindole-3-acetyl-aspartic acid;2-oxindole-3-acetyl-aspartate;]	C14H14N2O6	306.085186	NA	metacyc	NA	NA
+MJ028745	Aronixil 	C14H15ClN4O2	306.088353	NA	MeJP	NA	NA
+MJ028746	N-?-Glutamylcysteine; L-L-form, S-(1-Propenyl), S-oxide 	C11H18N2O6S	306.088557	NA	MeJP	NA	NA
+MJ028747	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3-Ketone 	C19H14O4	306.089208	NA	MeJP	NA	NA
+MJ028748	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 1-Ketone 	C19H14O4	306.089208	NA	MeJP	NA	NA
+MJ028749	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3-Ketone 	C19H14O4	306.089208	NA	MeJP	NA	NA
+MJ028750	3-[2-(3,4-Dihydroxyphenyl)-3-methyl-5-benzofuranyl]-2-propenal, 3',4'-Methylene ether 	C19H14O4	306.089208	NA	MeJP	NA	NA
+MJ028751	Ochromycinone 	C19H14O4	306.089208	NA	MeJP	NA	NA
+MJ028752	Glutathione; 1-Amide 	C10H18N4O5S	306.09979	NA	MeJP	NA	NA
+MetaCyc02737	glutathione amide [GASH;]	C10H18N4O5S1	306.09979	NA	metacyc	NA	NA
+PJ000237	GCQ 	C10H18N4O5S	306.0998	NA	PeJP	NA	NA
+MJ028753	Telazoline; 3-Methoxy 	C18H14N2O3	306.100442	NA	MeJP	NA	NA
+MJ028754	1-(Ethoxymethyl)-5-ethyl-6-(phenylthio)-2,4(1H,3H)-pyrimidinedione 	C15H18N2O3S	306.103813	NA	MeJP	NA	NA
+MJ028755	Fluconazole 	C13H12F2N6O	306.104065	NA	MeJP	NA	NA
+MetaCyc02738	rhizobactin 1021 core []	C11H18N2O8	306.106316	NA	metacyc	NA	NA
+C09000	Cimifugin	C16H18O6	306.1103	NA	KEGG	NA	NA
+MJ028756	1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028757	17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide, 7?,8?-Epoxide 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028758	2,3-Epoxy-8-hydroxy-1,3,11(13)-elematrien-15,6-olid-12-oic acid, Me ester 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028759	2,5,7-Trihydroxy-3-(5-hydroxyhexyl)-1,4-naphthoquinone 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028760	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether, 5-O-(2,3-epoxy-3-methylbutyl) 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028761	5,7-Dihydroxy-6-methyl-3-oxo-4(1H)-isobenzofurancarboxylic acid; 5-Me ether, 7-O-(3-methyl-2-butenyl) 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028762	5-(2-Hydroxypropoxy)-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028763	5-Hydroxy-3-(2-hydroxypropyl)-6,8-dimethoxy-2-methyl-1,4-naphthoquinone 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028764	6-(1-Hydroxyethyl)-5-hydroxy-2,7-dimethoxy-1,4-naphthoquinone; 1'-Et ether 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028765	6-Methoxy-3',4'-dehydromurranganon; 3',4'-Dihydro 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028766	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-O-formyl 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028767	Angelicain, 4-Me ether 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028768	Citreoisocoumarinol; 4'-Ketone, 6,8-di-Me ether 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028769	Citrusal; 5-Methoxy, 3'-carboxylic acid 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028770	Curvularin, 10,11-Didehydro, 12-hydroxy 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028771	Curvularin, 12-Oxo 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028772	Glabralactone; 2',3'-Dihydro, 3'-hydroxy 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028773	Grandmarin, 2'-Me ether 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028774	Greveiglycol 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028775	Helipyrone B 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028776	Italicic acid; Me ester 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028777	Protogenkwanin; 2',3',5',6'-Tetrahydro 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028778	Rehmaglutin C; 3-Deoxo, 6-O-(4-hydroxybenzoyl) 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028779	Trigocoumarin 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028780	Ursinoic acid; 7-Methoxy 	C16H18O6	306.110338	NA	MeJP	NA	NA
+MJ028781	Metioprim 	C14H18N4O2S	306.115046	NA	MeJP	NA	NA
+PJ000238	SSN 	C10H18N4O7	306.1176	NA	PeJP	NA	NA
+C01632	Z-Gly-Pro	C15H18N2O5	306.1216	NA	KEGG	NA	NA
+FL1C19NP0002	Lonchocarpin	C20H18O3	306.12559	31501-55-0	knapsack	NA	NA
+FL2F19NP0001	(-)-Isolonchocarpin	C20H18O3	306.12559	34198-88-4	knapsack	NA	NA
+MJ028782	2,4-Bis(4-hydroxybenzyl)phenol 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028783	Bungone A 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028784	Isolonchocarpin 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028785	Lonchocarpin 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028786	Phenolphthalol 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028787	Plectranthone A 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028788	Plectranthone D 	C20H18O3	306.125594	NA	MeJP	NA	NA
+MJ028789	4-Ethyldihydro-3-hydroxy-4-methyl-2(3H)-furanone, O-?-D-Glucopyranoside 	C13H22O8	306.131467	NA	MeJP	NA	NA
+PJ000239	GCK 	C11H22N4O4S	306.1362	NA	PeJP	NA	NA
+MJ028790	3,3-Di-1H-indol-3-yl-1,2-propanediol 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028791	3,6-Dibenzyl-2,5-dihydroxypyrazine; Mono-Me ether 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028792	Ciproquazone 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028793	Halfordinol; O-(3-Methyl-2-butenyl) 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028794	Halfordinol; O-(3-Methyl-3-butenyl) 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028795	Mappicine 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028796	Prebalamide 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028797	Rhazinilam, 3-Oxo, 14,15-didehydro 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028798	Tryptamine; Nb-(4-Hydroxycinnamoyl) 	C19H18N2O2	306.136827	NA	MeJP	NA	NA
+MJ028799	Strychnoxanthine 	C19H19N2O2(+)	306.136827	NA	MeJP	NA	NA
+MJ028800	1,4-Butanediamine; N-[3-(Methylthio)-2-propenoyl](E-), N'-phenylacetyl 	C16H22N2O2S	306.140198	NA	MeJP	NA	NA
+MJ028801	N-(6-Aminohexyl)-1-naphthalenesulfonamide 	C16H22N2O2S	306.140198	NA	MeJP	NA	NA
+MJ028802	6,7-Diphenyl-2,4,8,10-dodecatetrayne 	C24H18	306.14085	NA	MeJP	NA	NA
+C01513	Lupinate	C13H18N6O3	306.144	NA	KEGG	NA	NA
+MJ028803	Lupinic acid 	C13H18N6O3	306.144038	NA	MeJP	NA	NA
+MJ028804	Lupinate 	C13H18N6O3	306.144038	NA	MeJP	NA	NA
+MetaCyc02739	lupinate []	C13H18N6O3	306.144038	67392-79-4	metacyc	NA	NA
+C09299	Arnicolide A	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09374	Confertiflorin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09431	Eupaformonin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09455	Gaillardin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09487	Isotenulin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09494	Ligulatin B	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09497	Lipiferolide	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09499	Matricin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09522	Ovatifolin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09536	Pyrethrosin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09557	Tenulin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09587	Viscidulin B	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09602	Xanthinin	C17H22O5	306.1467	NA	KEGG	NA	NA
+C09603	Xanthumin	C17H22O5	306.1467	NA	KEGG	NA	NA
+MJ028805	1,10-Epoxy-15-hydroxy-4,11(13)-germacradien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028806	1,10-Epoxy-15-hydroxy-4,11(13)-germacradien-12,8-olide, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028807	1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028808	1,10-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028809	1,2-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028810	1,2-Dihydroxy-5,11(13)-eudesmadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028811	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028812	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028813	1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028814	1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Ketone, 1-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028815	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028816	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028817	1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028818	1,6-Dihydroxy-4,9,11(13)-germacratrien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028819	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028820	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028821	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028822	1,8-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028823	1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide, 1-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028824	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028825	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028826	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028827	1-Hydroxy-12-oxo-2,6,10-farnesatrien-14,5-olide; Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028828	1-Hydroxy-3-oxo-9,11(13)-eremophiladien-12-oic acid; 1?-form, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028829	1-Hydroxy-8-oxo-2,6,9-humulatrien-15-oic acid, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028830	10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028831	13-Hydroxy-3-oxo-1(10),7(11)-germacradien-12,6-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028832	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028833	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028834	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028835	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028836	2,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028837	2,3-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028838	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028839	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028840	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028841	2,3-Dihydroxy-5,11(13)-eudesmadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028842	2,4-Dihydroxy-1(10),11(13)-guaiadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028843	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028844	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 2-Ketone, 4-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028845	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ketone, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028846	2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028847	2,4-Dihydroxy-5,11(13)-guaiadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028848	2,4-Dihydroxy-9,11(13)-guaiadien-12,8-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028849	2,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028850	2,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028851	2,7-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028852	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028853	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028854	2-Hydroxy-3-oxo-1(10),11(13)-eremophiladien-12-oic acid, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028855	3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 13-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028856	3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028857	3,20-Epoxy-3,14-dihydroxy-19,6-podocarpanolide, 14-Ketone 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028858	3,4-Epoxy-1-hydroxy-11(13)-guaien-12,8-olide; Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028859	3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028860	3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028861	3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028862	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028863	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028864	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028865	3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, 3-Ketone, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028866	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-Ketone, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028867	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028868	3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028869	3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028870	3-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12-oic acid, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028871	3-Hydroxy-2-oxo-1(10),11(13)-eremophiladien-12-oic acid, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028872	3-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028873	4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028874	4,5-Epoxy-14-hydroxy-1(10),11(13)-germacradien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028875	4,5-Epoxy-15-hydroxy-11(13)-guaien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028876	4,5-Epoxy-2-hydroxy-1(10),11(13)-germacradien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028877	4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028878	4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028879	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028880	4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028881	4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028882	4,6-Dihydroxy-9,11(13)-guaiadien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028883	4,8-Dihydroxy-1(10),2-guaiadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028884	4,8-Dihydroxy-1,9-guaiadien-12,6-olide; 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028885	4,8-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028886	4-Hydroxy-1(10),2-guaiadien-12,6-olide, 14-Acetoxy 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028887	4-Hydroxy-9,11(13)-guaiadien-12,8-olide, 14-Acetoxy 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028888	5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid; Di-Me ether, Me ester 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028889	5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 5,7-Di-Me ether 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028890	5-Hydroxy-4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; O-(4-Acetoxy-3-methyl-2-butenoyl) 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028891	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028892	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028893	6-Hydroxy-1,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028894	6-Hydroxy-4-oxo-1(5),11(13)-xanthadien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028895	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028896	8,10-Dihydroxy-1,4-guaiadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028897	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028898	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028899	8,14-Dihydroxy-1,3,11(13)-elematrien-12,6-olide, 14-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028900	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028901	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-Et ether 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028902	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 3'-Et ether 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028903	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028904	8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028905	8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028906	8-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028907	8-Hydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028908	9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028909	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 1?,10?-Epoxide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028910	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4,5?-Epoxide, Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028911	Anthepseudolide; Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028912	Antibiotic TAN 1446A 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028913	Cladosporin; 6-Me ether 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028914	Cladosporin; 8-Me ether 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028915	Eremofortin C; 12-Deoxy 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028916	Euplotin B 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028917	Expansolide A 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028918	Ferulol; 2-(Acetoxymethyl)-2-butenoyl(Z-) 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028919	Ferulol; O-(4-Acetoxy-3-methyl-2-butenoyl) 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028920	Heleniamarin 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028921	Isoferulol; O-(4-Acetoxy-3-methyl-2-butenoyl) 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028922	Ivaxillarin; 3?-Alcohol, 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028923	Lasiodiplodin, 5-Oxo 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028924	Naematolin; 8-Ketone 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028925	Ngaione, 10,11-Didehydro, 12-acetoxy 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028926	Oxaspirol A 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028927	Plagiochiline L 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028928	Rhaphidecurperoxin 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028929	Tenulin 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028930	Zaluzanin A; 3-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+MJ028931	p-Mentha-1,3,5,8(10)-tetraene-2,5,9-triol; 2-Me ether, 5-(2-methylpropanoyl), 9-Ac 	C17H22O5	306.146723	NA	MeJP	NA	NA
+4001	Substance P 7-11	FFGLM~	306.1487	MH2+	Inhouse_peptide	NA	peptide
+MJ028932	Diatretol 	C16H22N2O4	306.157957	NA	MeJP	NA	NA
+MJ028933	Inproquone 	C16H22N2O4	306.157957	NA	MeJP	NA	NA
+MJ028934	Inthomycin, 10?-Hydroxy 	C16H22N2O4	306.157957	NA	MeJP	NA	NA
+MJ028935	3',4',5,6,7,8-Hexamethylflavone 	C21H22O2	306.161979	NA	MeJP	NA	NA
+MJ028936	3,3',4',5,7,8-Hexamethylflavone 	C21H22O2	306.161979	NA	MeJP	NA	NA
+MJ028937	Endiandric acid A 	C21H22O2	306.161979	NA	MeJP	NA	NA
+MJ028938	1-Hydroxy-3-octanone; O-?-D-Glucopyranoside 	C14H26O7	306.167853	NA	MeJP	NA	NA
+MJ028939	(4-Aminobutyl)guanidine; N1-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C15H22N4O3	306.16919	NA	MeJP	NA	NA
+MJ028940	Propentofylline 	C15H22N4O3	306.16919	NA	MeJP	NA	NA
+C01670	Bz-Arg-OEt	C15H22N4O3	306.1692	NA	KEGG	NA	NA
+MJ028941	11-Methoxy-?14-vincamenine 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028942	16-Epidehydroaffinisine 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028943	Aristoteline, 13-Oxo, 15,16-didehydro 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028944	Aspidofractinine, 14,15-Didehydro, N1-formyl 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028945	Borrecapine; 1',5'-Didehydro 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028946	Cinchonidine 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028947	Hobartine, 8-Oxo, 9,N-didehydro 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028948	Hobartine, ?6,13-Isomer, 8-oxo, 9,N-didehydro 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028949	Kopsanol; 22-Ketone 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028950	Koumine 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028951	Makonine 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028952	Vellosimine; N1-Me 	C20H22N2O	306.173213	NA	MeJP	NA	NA
+MJ028953	C-Alkaloid B 	C20H23N2O(+)	306.173213	NA	MeJP	NA	NA
+MJ028954	C-Alkaloid P 	C20H23N2O(+)	306.173213	NA	MeJP	NA	NA
+MJ028955	Nor-C-fluorocurarine, Nb-Me 	C20H23N2O(+)	306.173213	NA	MeJP	NA	NA
+C14183	Compactin diol lactone	C18H26O4	306.1831	NA	KEGG	NA	NA
+C14300	Di-n-pentyl phthalate	C18H26O4	306.1831	NA	KEGG	NA	NA
+MJ028956	1,2-Benzenedicarboxylic acid; Butyl 2-ethylbutyl ester 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028957	11-Hydroxy-5-silphiperfolen-13-oic acid; 11?-form, Ac, Me ester 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028958	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Propanoyl 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028959	2,4-Dihydroxy-6-pentyl-3-prenylbenzoic acid; 4-Me ether 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028960	3-Hydroxy-4,11(13)-eudesmadien-12-oic acid, Ac, Me ester 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028961	3-Hydroxy-4-isopropylbenzyl alcohol; Bis(2-methylpropanoyl) 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028962	6-Hydroxy-3(15),7(14)-caryophylladien-8-one, 12-Acetoxy, Me ether 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028963	6-Hydroxy-3(15),7(14)-caryophylladien-8-one; 6?-form, 12-Acetoxy, Me ether 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028964	8,17-Epoxy-15,16-dinor-13-oxo-11-labden-19-oic acid 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028965	9,16-Dioxo-10,12,14-octadecatrienoic acid 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028966	Albocycline K2; 9'-Ketone 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028967	Antibiotic ML 236A 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028968	Barbacenic acid; 3-Deoxy 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028969	Chromomoric acid D 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028970	Mikanialactone 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028971	Ovalimethoxy I 	C18H26O4	306.183109	NA	MeJP	NA	NA
+MJ028972	Trisporic acid C 	C18H26O4	306.183109	NA	MeJP	NA	NA
+HMDB04269	Corrinoid	C19H22N4	306.184448	NA	HMDB2010	NA	NA
+HMDB04269	Corrinoid	C19H22N4	306.18445	http://www.hmdb.ca/metabolites/HMDB04269	HMDB	NA	NA
+HMDB04269	Corrinoid	C19H22N4	306.18445	HMDB04269	PFEM_hmdb_metabocards_official	NA	NA
+MJ028973	Seldomycin 2 	C12H26N4O5	306.190319	NA	MeJP	NA	NA
+MJ028974	13-Hydroxylupanine; O-Ac 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028975	2-Hydroxybenzamide; O-Ac, N-(diethylaminobutyl) 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028976	4-Hydroxylupanine, Ac 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028977	Angustifoline, N-Ethoxycarbonyl 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028978	Matrine, 14?-Acetoxy 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028979	Matrine, 14?-Acetoxy 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028980	Roxatidine 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+MJ028981	Soquinolol 	C17H26N2O3	306.194342	NA	MeJP	NA	NA
+C13949	9-Chloro-10-hydroxyhexadecanoic acid	C16H31ClO3	306.1962	NA	KEGG	NA	NA
+C13950	Transferred to D02175	C16H31ClO3	306.1962	NA	KEGG	NA	NA
+C15074	16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one	C19H27FO2	306.1995	NA	KEGG	NA	NA
+C15276	2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one	C19H27FO2	306.1995	NA	KEGG	NA	NA
+MJ028982	Epitiostanol 	C19H30OS	306.201736	NA	MeJP	NA	NA
+MJ028983	Acanthoine; Tetrahydro 	C16H26N4O2	306.205576	NA	MeJP	NA	NA
+MJ028984	Ruscopine 	C16H26N4O2	306.205576	NA	MeJP	NA	NA
+C08510	Ruscopine	C16H26N4O2	306.2056	NA	KEGG	NA	NA
+HMDB00523	5-Androstene-3b,16b,17a-triol	C19H30O3	306.21948	http://www.hmdb.ca/metabolites/HMDB00523	HMDB	NA	NA
+HMDB00540	5-Androstene-3b,16a,17a-triol	C19H30O3	306.21948	http://www.hmdb.ca/metabolites/HMDB00540	HMDB	NA	NA
+HMDB00550	5-Androstenetriol	C19H30O3	306.21948	http://www.hmdb.ca/metabolites/HMDB00550	HMDB	NA	NA
+HMDB02984	11-Hydroxyandrosterone	C19H30O3	306.21948	http://www.hmdb.ca/metabolites/HMDB02984	HMDB	NA	NA
+HMDB00523	5-Androstene-3b,16b,17a-triol	C19H30O3	306.21948	HMDB00523	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00540	5-Androstene-3b,16a,17a-triol	C19H30O3	306.21948	HMDB00540	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00550	5-Androstenetriol	C19H30O3	306.21948	HMDB00550	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02984	11-Hydroxyandrosterone	C19H30O3	306.21948	HMDB02984	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00523	5-Androstene-3b,16b,17a-triol	C19H30O3	306.219482	NA	HMDB2010	NA	NA
+HMDB00540	5-Androstene-3b,16a,17a-triol	C19H30O3	306.219482	NA	HMDB2010	NA	NA
+HMDB00550	5-Androstenetriol	C19H30O3	306.219482	NA	HMDB2010	NA	NA
+HMDB02984	11-Hydroxyandrosterone	C19H30O3	306.219482	NA	HMDB2010	NA	NA
+HMDB13156	16-alpha-Hydroxyandrosterone	C19H30O3	306.219482	NA	HMDB2010	NA	NA
+HMDB13199	5-Androstene-3alpha-16b,17b-triol	C19H30O3	306.219482	NA	HMDB2010	NA	NA
+MJ028985	13,15-Epoxy-16-hydroxy-19-nor-8,10-lobadien-18-one 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028986	14,15-Dinor-13-oxo-8(17),11-labdadien-19-oic acid, 11,12-Dihydro, Me ester 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028987	15,16-Dihydroxy-19-nor-4-rosen-3-one 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028988	15-Hydroxy-17-nor-8-labden-7-one; 13S-form, 15-Carboxylic acid 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028989	19-Nor-3-oxo-4-cleroden-15-oic acid 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028990	3,11-Dihydroxyandrostan-17-one 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028991	3,16-Dihydroxyandrostan-17-one 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028992	3,18-Dihydroxyandrostan-17-one 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028993	3,19-Dihydroxyandrostan-17-one 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028994	3,7-Epoxy-1,10-bisaboladien-12-ol; Butanoyl 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028995	3,7-Epoxy-1,10-bisaboladien-12-ol; Methylpropanoyl 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028996	3-(7-Hexadecenyl)-4-hydroxy-5-methylene-2(5H)-furanone, Lower homologue 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028997	3-Hydroxy-16-nor-7-isopimaren-15-oic acid 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028998	8,13-Epoxy-3-nor-2,3-seco-14-labden-2,4-olide 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ028999	Androst-5-ene-3,16,17-triol 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029000	Aplysillolide A 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029001	Dictyopyrone A 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029002	Dihydro-4-hydroxy-5-methylene-3-tetradecylidene-2(3H)-furanone, 11',12'-Didehydro 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029003	Glanvillic acid A 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029004	Haplodesertoic acid; Me ester 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029005	Litseakolide B 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029006	Methyl [3,5-diethyl-5-(2-ethyl-3-hexenyl)-2(5H)-furanylidene]acetate 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029007	Monacolin J; 1-Deoxy, 4,4a-dihydro 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029008	Oxandrolone 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029009	Paradol; [8]Paradol 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029010	Secoxestenone 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MJ029011	[3,5-Diethyl-5-(2-ethylhexyl)-2(5H)-furanylidene]acetic acid, 9,10-Didehydro(E-), Me ester 	C19H30O3	306.219494	NA	MeJP	NA	NA
+MetaCyc02740	dihydromonacolin-L []	C19H30O3	306.219495	NA	metacyc	NA	NA
+C07346	Oxandrolone	C19H30O3	306.2195	NA	KEGG	NA	NA
+C14553	3alpha,11beta-Dihydroxy-5beta-androstane-17-one	C19H30O3	306.2195	NA	KEGG	NA	NA
+C14606	3alpha,11beta-Dihydroxy-5alpha-androstane-17-one	C19H30O3	306.2195	NA	KEGG	NA	NA
+C15097	Androst-5-ene-3beta,17beta,19-triol	C19H30O3	306.2195	NA	KEGG	NA	NA
+C15136	3beta-Hydroxy-D-homo-17a-oxa-5alpha-androstan-17-one	C19H30O3	306.2195	NA	KEGG	NA	NA
+C15536	Dihydromonacolin L	C19H30O3	306.2195	NA	KEGG	NA	NA
+MJ029012	Colestyramine 	C22H28N	306.222174	NA	MeJP	NA	NA
+MJ029013	Butacaine 	C18H30N2O2	306.230728	NA	MeJP	NA	NA
+MJ029014	Calocaine 	C18H30N2O2	306.230728	NA	MeJP	NA	NA
+MJ029015	Octadecanoic acid salts; Na salt 	C18H35NaO2	306.253475	NA	MeJP	NA	NA
+MJ029016	1(10),13-Halimadiene-2,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029017	1(10)-Rosene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029018	1,12-Epoxy-3,7-cembradien-11-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029019	1,3,7-Cembratriene-11,12-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029020	1,6,10,13-Phytatetraene-2,14-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029021	1,6,10,14-Phytatetraene-3,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029022	1,6,10,14-Phytatetraene-3,17-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029023	1,6,10,14-Phytatetraene-3,5-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029024	1,6,10,14-Phytatetraene-3,9-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029025	1-Hydroxy-2,6,10,14-phytatetraen-13-one, 2,3-Dihydro 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029026	1-Hydroxy-2,6,10-phytatrien-13-one 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029027	11,12-Epoxy-2,7-cembradien-4-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029028	11,14,17-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029029	11,14-Labdadiene-8,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029030	11-Mulinene-13,20-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029031	12,14-Labdadiene-3,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029032	12,14-Labdadiene-6,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029033	12,14-Labdadiene-7,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029034	12,14-Labdadiene-8,11-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029035	12,14-Labdadiene-8,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029036	12,14-Labdadiene-9,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029037	12,16-Stemodanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029038	12-(2-Pentylcyclopropyl)-6,9-dodecadienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029039	13(16),14-Labdadiene-6,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029040	13(16),14-Labdadiene-8,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029041	13,15-Villanovanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029042	13,19-Villanovanediol; 13?-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029043	13-Atisene-3,16-diol, 13,14-Dihydro 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029044	13-Hydroxy-14-cleroden-3-one 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029045	13-Hydroxy-7,8-seco-6,14-labdadien-8-one 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029046	13-Labdene-8,15-diol, 15-Aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029047	14-Gnaphalene-8,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029048	15,16-Devadaranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029049	15-Cembrene-6,11-dione 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029050	15-Hydroxy-7-labden-6-one 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029051	15-Isopimarene-6,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029052	15-Isopimarene-7,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029053	15-Isopimarene-8,11-diol; 11?-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029054	15-Isopimarene-8,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029055	15-Isopimarene-8,20-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029056	15-Pimarene-8,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029057	15-Pimarene-9,19-diol; ent-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029058	15-Rosene-3,5-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029059	15-Rosene-5,11-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029060	15-Rosene-5,12-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029061	15-Rosene-5,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029062	16,17-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029063	16,17-Stemodanediol; 16?-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029064	16,18-Atisanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029065	16,18-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029066	16,19-Atisanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029067	16,19-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029068	16,19-Phyllocladanediol; 16?-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029069	17,19-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029070	17-Cneorubene-4,10-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029071	17-Dolastene-1,4-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029072	18-Hydroxy-7-dolabellen-3-one 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029073	18-Methyl-8,11,14-nonadecatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029074	2,16-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029075	2,17-Sphenolobadiene-4,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029076	2,6,10,13-Phytatetraene-1,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029077	2,6,10,14-Phytatetraene-1,12-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029078	2,6,10,14-Phytatetraene-1,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029079	2,6,10,14-Phytatetraene-1,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029080	2,6,10,14-Phytatetraene-1,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029081	2,6,10,14-Phytatetraene-1,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029082	2,6,10,14-Phytatetraene-1,20-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029083	2,6,10,14-Phytatetraene-1,9-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029084	2,6,11-Cembratriene-4,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029085	2,7,11-Cembratriene-1,4-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029086	2,7,11-Cembratriene-4,10-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029087	2,7,11-Cembratriene-4,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029088	2,7,11-Cembratriene-4,6-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029089	2,7-Dolabelladiene-10,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029090	2,7-Dolabelladiene-12,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029091	2,8-Verrucosanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029092	2,9-Verrucosanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029093	2-Cyclopentene-1-pentadecanoic acid, 8,9-Didehydro 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029094	2-Cyclopentene-1-pentadecanoic acid, 9,10-Didehydro 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029095	2-Homoverrucosene-5,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029096	2-Methyl-5-(8-tridecenyl)-1,3-benzenediol, 8',9'-Dihydro 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029097	3,13-Clerodadien-15-ol, 3?,4?-Epoxide 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029098	3,13-Clerodadiene-15,16-diol, 15-Carboxylic acid, 16-aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029099	3,13-Clerodadiene-15,17-diol, 13?,14-Dihydro, 15-aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029100	3,13-Clerodadiene-15,17-diol, 13?,14-Dihydro,17-aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029101	3,13-Clerodadiene-15,17-diol, 17-Succinoyl 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029102	3,13-Clerodadiene-15,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029103	3,14-Clerodadiene-13,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029104	3,14-Clerodadiene-2,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029105	3,14-Clerodadiene-6,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029106	3,15-Epoxy-7,11-cembradien-4-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029107	3,16-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029108	3,16-Sphenolobadiene-13,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029109	3,4-Epoxy-1(15),7-cembradien-12-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029110	3,4-Epoxy-14-cleroden-13-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029111	3,4-Seco-2-verrucosene-5,6-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029112	3,7,10-Cembratriene-12,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029113	3,7,11-Cembratrien-15-ol, 3,4-Epoxide 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029114	3,7,11-Cembratriene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029115	3,7,11-Cembratriene-2,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029116	3,7-Cyclo-1,11-cembradiene-4,8-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029117	3,7-Dolabelladiene-6,12-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029118	3,7-Dolabelladiene-9,12-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029119	3-Cleroden-15-oic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029120	3-Erythroxylene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029121	3-Hydroxy-1,6,10,14-phytatetraen-12-one, 10,11-Dihydro 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029122	3-Viscidene-5,16-diol; 5-Ketone 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029123	4(18),13-Clerodadiene-3,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029124	4(18)-Cleroden-15-oic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029125	4(18)-Erythroxylene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029126	4,15-Epoxy-7,11-cembradien-3-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029127	4,4'-Diisopropyl-1,1'-dimethylbicyclohexane-3,3'-dione 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029128	4,8(19)-Xeniaphylladiene-14,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029129	5(10)-Rosene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029130	5,11,14-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029131	5,20-Neoverrucosanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029132	5,8,11-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029133	5,9,13-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029134	5-(12-Methyltridecyl)-1,3-benzenediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029135	5-Rosene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029136	5-Tetradecyl-1,3-benzenediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029137	5-Tridecyl-1,3-benzenediol; Mono-Me ether 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029138	6,14-Labdadiene-8,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029139	7,10,13-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029140	7,11,14-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029141	7,13-Labdadiene-15,17-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029142	7,13-Labdadiene-15,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029143	7,13-Labdadiene-2,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029144	7,13-Labdadiene-3,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029145	7,13-Labdadiene-6,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029146	7,13-Thyrsifloranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029147	7,14-Labdadiene-2,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029148	7,14-Labdadiene-3,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029149	7,14-Labdadiene-9,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029150	7,16-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029151	7,8-Epoxy-2-dolabellen-4-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029152	7-Abietene-14,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029153	7-Isopimarene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029154	7-Labden-15-oic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029155	7-Labdene-15,17-diol, 17-Aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029156	7-Labdene-3,15-diol, 3-Ketone 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029157	8(14)-Abietene-3,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029158	8(14)-Abietene-7,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029159	8(14)-Abietene-7,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029160	8(14)-Isopimarene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029161	8(17),13(16)-Labdadiene-14,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029162	8(17),13-Labdadien-15-ol, 13?,14?-Epoxide 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029163	8(17),13-Labdadiene-15,16-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029164	8(17),13-Labdadiene-15,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029165	8(17),13-Labdadiene-15,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029166	8(17),13-Labdadiene-2,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029167	8(17),13-Labdadiene-3,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029168	8(17),13-Labdadiene-6,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029169	8(17),13-Labdadiene-9,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029170	8(17),14-Labdadiene-13,18-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029171	8(17),14-Labdadiene-13,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029172	8(17),14-Labdadiene-2,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029173	8(17),14-Labdadiene-3,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029174	8(17),14-Labdadiene-5,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029175	8(17),14-Labdadiene-6,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029176	8(17),14-Labdadiene-7,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029177	8(17),14-Labdadiene-9,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029178	8(17)-Labden-15-ol, Carboxylic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029179	8(17)-Labdene-15,19-diol, 19-Aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029180	8(17)-Labdene-2,15-diol, 2-Ketone 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029181	8(17)-Labdene-3,15-diol, 15-Aldehyde 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029182	8,10,13(15)-Lobatriene-14,17,18-triol, 14-Deoxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029183	8,11,14-Eicosatrienoic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029184	8,12-Epoxy-13-labden-1-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029185	8,12-Epoxy-13-labden-15-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029186	8,12-Epoxy-14-labden-13-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029187	8,13(16)-Labdadiene-14,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029188	8,13-Epoxy-14-labden-1-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029189	8,13-Epoxy-14-labden-11-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029190	8,13-Epoxy-14-labden-12-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029191	8,13-Epoxy-14-labden-16-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029192	8,13-Epoxy-14-labden-18-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029193	8,13-Epoxy-14-labden-19-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029194	8,13-Epoxy-14-labden-2-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029195	8,13-Epoxy-14-labden-3-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029196	8,13-Epoxy-14-labden-6-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029197	8,13-Epoxy-15-labdanal 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029198	8,13-Labdadiene-15,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029199	8,13-Labdadiene-7,15-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029200	8,14-Labdadiene-13,19-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029201	8-Abietene-14,18-diol; 14?-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029202	8-Abietene-7,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029203	8-Isopimarene-15,16-diol; 15?-form 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029204	8-Methyl-14-podocarpaneacetic acid 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029205	9(11),14-Labdadiene-8,13-diol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029206	9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol; 11-Deoxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029207	9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol; 16-Deoxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029208	9,13-Epoxy-14-labden-19-ol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029209	9,16-Kauranediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029210	Barbifusicoccin A 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029211	Barbifusicoccin B 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029212	Dictyol C 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029213	Dictyotin A 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029214	Dilophol; 11?-Hydroxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029215	Dilophol; 3?-Hydroxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029216	Maritimol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029217	Rigidol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029218	Siphonarienfuranone; 2-Deoxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029219	Solenopodin A; 6-Deacetoxy 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029220	Stemodin 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029221	Trixagodiol A 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029222	Trixagodiol C 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029223	Trixagol; 9,10-Epoxide 	C20H34O2	306.25588	NA	MeJP	NA	NA
+MJ029224	Verticillanediol 	C20H34O2	306.25588	NA	MeJP	NA	NA
+HMDB02925	8,11,14-Eicosatrienoic acid	C20H34O2	306.25589	http://www.hmdb.ca/metabolites/HMDB02925	HMDB	NA	NA
+HMDB02925	8,11,14-Eicosatrienoic acid	C20H34O2	306.25589	HMDB02925	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02925	8,11,14-Eicosatrienoic acid	C20H34O2	306.25589	NA	HMDB2010	NA	NA
+HMDB10378	5,8,11-Eicosatrienoic acid	C20H34O2	306.25589	NA	HMDB2010	NA	NA
+C03242	(8Z,11Z,14Z)-Icosatrienoic acid	C20H34O2	306.2559	NA	KEGG	NA	NA
+C09072	2,7,11-Cembratrien-4,6-diol	C20H34O2	306.2559	NA	KEGG	NA	NA
+C14882	2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol	C20H34O2	306.2559	NA	KEGG	NA	NA
+C15058	2alpha-Methyl-5alpha-androstane-3beta,17beta-diol	C20H34O2	306.2559	NA	KEGG	NA	NA
+C15376	17alpha-Methyl-5alpha-androstane-3alpha,17beta-diol	C20H34O2	306.2559	NA	KEGG	NA	NA
+C15399	17-Methyl-5alpha-androstane-11beta,17beta-diol	C20H34O2	306.2559	NA	KEGG	NA	NA
+C16522	Icosatrienoic acid	C20H34O2	306.2559	NA	KEGG	NA	NA
+MJ029225	Cribochaline A 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029226	Hachijodines; Hachijodine B 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029227	Hachijodines; Hachijodine C 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029228	Hachijodines; Hachijodine D 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029229	Hachijodines; Hachijodine E 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029230	Phlegmarine; Nb-Me, Na-Ac 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029231	Theonelladine C; N-Methoxy 	C19H34N2O	306.267113	NA	MeJP	NA	NA
+MJ029232	1,6-Heneicosadien-11-one 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029233	16-Methyl-3-eicosen-1-yn-5-ol 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029234	16-Methyl-4-eicosen-1-yn-3-ol 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029235	19-Methyl-4-eicosen-1-yn-3-ol 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029236	2-(1,4-Decadienyl)-3-nonyloxirane 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029237	2-(2,5-Octadienyl)-3-undecyloxirane 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029238	2-(2-Pentenyl)-3-(2-tetradecenyl)oxirane 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029239	2-Heptadecylfuran 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029240	4-Heneicosen-1-yn-3-ol 	C21H38O	306.292265	NA	MeJP	NA	NA
+MJ029241	2,7-Dibromo-3-chloro-1H-indole 	C8H4Br2ClN	306.839902	NA	MeJP	NA	NA
+MJ029242	(3,5-Dibromo-4-hydroxyphenyl)acetic acid; Amide 	C8H7Br2NO2	306.884353	NA	MeJP	NA	NA
+MJ029243	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; N-2-Propenyl 	C8H7Br2NO2	306.884353	NA	MeJP	NA	NA
+MJ029244	2-(2,4-Dibromo-5-methoxyphenyl)ethanamine 	C9H11Br2NO	306.920739	NA	MeJP	NA	NA
+MJ029245	2-(3,5-Dibromo-4-hydroxyphenyl)ethylamine; Me ether 	C9H11Br2NO	306.920739	NA	MeJP	NA	NA
+C02515	3-Iodo-L-tyrosine	C9H10INO3	306.9705	NA	KEGG	NA	NA
+MJ029246	3-Iodo-L-tyrosine 	C9H10INO3	306.970536	NA	MeJP	NA	NA
+MJ029247	2-Amino-3-(3-iodo-4-hydroxyphenyl)propanoic acid 	C9H10INO3	306.970536	NA	MeJP	NA	NA
+MetaCyc02741	monoiodo-L-tyrosine [monoiodo-tyrosine;iodotyrosine;]	C9H10N1O3I1	306.970536	NA	metacyc	NA	NA
+HMDB00021	Iodotyrosine	C9H10INO3	306.97055	http://www.hmdb.ca/metabolites/HMDB00021	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00021	Iodotyrosine	C9H10INO3	306.97055	http://www.hmdb.ca/metabolites/HMDB00021	HMDB	NA	NA
+HMDB00021	Iodotyrosine	C9H10INO3	306.97055	NA  ;SYN:(2S)-2-acetamidobutanedioic acid; (S)-2-(acetylamino)butanedioic acid; (S)-2-(acetylamino)succinic acid; Acetyl-l-aspartate; Acetyl-l-aspartic acid; Acetylaspartate; Acetylaspartic acid; L-n-acetylaspartate; L-n-acetylaspartic acid; N-acetyl-l-aspartate; N-acetyl-l-aspartic acid; N-acetyl-s-aspartate; N-acetyl-s-aspartic acid; N-acetylaspartate; N-acetylaspartic acid; NAA; (2S)-2-acetamidobutanedioate; (S)-2-(acetylamino)butanedioateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00021	Iodotyrosine	C9H10INO3	306.97055	http://www.hmdb.ca/metabolites/HMDB00021	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00021	Iodotyrosine	C9H10INO3	306.97055	HMDB00021	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00021	Iodotyrosine	C9H10INO3	306.970551	NA	HMDB2010	NA	NA
+MJ029248	Dichlormezanone 	C11H11Cl2NO3S	306.983669	NA	MeJP	NA	NA
+MJ029249	2,6-Dihydroxybenzoic acid; p-Bromoanilide 	C13H10BrNO3	306.984405	NA	MeJP	NA	NA
+MJ029250	Igzamide 	C12H10BrN3O2	306.995639	NA	MeJP	NA	NA
+MJ029251	Odiline; 2-Debromo 	C11H10BrN5O	307.006872	NA	MeJP	NA	NA
+MJ029252	Nitazoxanide 	C12H9N3O5S	307.026291	NA	MeJP	NA	NA
+MJ029253	Tris(3-oxobutanonato-O,O')chromium(III) 	C12H15CrO6	307.027375	NA	MeJP	NA	NA
+MJ029254	3-(3-Nitrobenzyl)-2,4,5-trioxo-1-imidazolidineacetic acid 	C12H9N3O7	307.044049	NA	MeJP	NA	NA
+C14971	N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-2,2,2-trifluoroacetamide	C15H8F3NO3	307.0456	NA	KEGG	NA	NA
+C15394	2,2,2-Trifluoro-N-(6-oxo-6H-dibenzo[b,d]pyran-2-yl)acetamide	C15H8F3NO3	307.0456	NA	KEGG	NA	NA
+MJ029255	Oxocompostelline; O-De-Me 	C17H9NO5	307.048072	NA	MeJP	NA	NA
+MJ029256	Tuberosinone 	C17H9NO5	307.048072	NA	MeJP	NA	NA
+C13310	Faropenem sodium	C12H14NO5S	307.049	NA	KEGG	NA	NA
+C00239	dCMP	C9H14N3O7P	307.0569	NA	KEGG	NA	NA
+C00240	rRNA	C15H25O16P2R3	307.0569	NA	KEGG	NA	NA
+C00241	Amide	CH2NOR	307.0569	NA	KEGG	NA	NA
+MJ029257	dCMP 	C9H14N3O7P	307.056936	NA	MeJP	NA	NA
+MetaCyc02742	dCMP [2'-deoxycytidine 5'-monophosphate;dCMP;deoxycytidylate;deoxycytidylic acid;deoxycytidine monophosphate;2'-deoxycytidine-5'-phosphate;deoxycytidine-phosphate;]	C9H14N3O7P1	307.056936	1032-65-1	metacyc	NA	NA
+HMDB01202	dCMP	C9H14N3O7P	307.056946	NA	HMDB2010	NA	NA
+HMDB01202	dCMP	C9H14N3O7P	307.05695	http://www.hmdb.ca/metabolites/HMDB01202	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01202	dCMP	C9H14N3O7P	307.05695	http://www.hmdb.ca/metabolites/HMDB01202	HMDB	NA	NA
+HMDB01202	dCMP	C9H14N3O7P	307.05695	http://www.hmdb.ca/metabolites/HMDB01202	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01202	dCMP	C9H14N3O7P	307.05695	HMDB01202	PFEM_hmdb_metabocards_official	NA	NA
+C08533	Narciclasine	C14H13NO7	307.0692	NA	KEGG	NA	NA
+MJ029258	Narciclasine 	C14H13NO7	307.069201	NA	MeJP	NA	NA
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR303	Gluthation oxyde F5	NA	307.080175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR303	Gluthation oxyde F5	NA	307.080175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR303	Gluthation oxyde F5	NA	307.080175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR303	Gluthation oxyde F5	NA	307.080175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR303	glutathione oxidized F5	F5	307.080175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	http://www.hmdb.ca/metabolites/HMDB00125	PFEM_hmdb_metabocards_urine	NA	urine
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	PFEM_hmdb_metabocards_urine	NA	urine
+EUR074	Glutathione	C10H17N3O6S	307.0838	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	http://www.hmdb.ca/metabolites/HMDB00125	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR074	Glutathione	C10H17N3O6S	307.0838	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	http://www.hmdb.ca/metabolites/HMDB00125	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR074	Glutathione	C10H17N3O6S	307.0838	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	http://www.hmdb.ca/metabolites/HMDB00125	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	http://www.hmdb.ca/metabolites/HMDB00125	HMDB	NA	NA
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	HMDB	NA	NA
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	Inhouse_PFEM	NA	NA
+EUR074	Glutathione	C10H17N3O6S	307.0838	Wishlist	Inhousejuil11	NA	NA
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	Inhousejuil11	NA	NA
+C00051	Glutathione	C10H17N3O6S	307.0838	NA	KEGG	NA	NA
+PJ000240	GCE 	C10H17N3O6S	307.0838	NA	PeJP	NA	NA
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	http://www.hmdb.ca/metabolites/HMDB00125	PFEM_hmdb_metabocards_blood	NA	blood
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER034	Glutathione	NA	307.0838	RT 2.6 fragt 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	HMDB00125	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00125	Glutathione	C10H17N3O6S	307.0838	NA  ;SYN:(2S)-2-amino-5-(carbamoylamino)pentanoic acid; (S)-2-Amino-5-ureidopentanoate; (S)-2-Amino-5-ureidopentanoic acid; (S)-2-amino-5-(aminocarbonyl)aminopentanoic acid; 2-Amino-5-uredovalerate; 2-Amino-5-uredovaleric acid; 2-Amino-5-ureidovalerate; 2-Amino-5-ureidovaleric acid; A-amino-d-ureidovalerate; A-amino-d-ureidovaleric acid; Alpha-amino-delta-ureidovalerate; Alpha-amino-delta-ureidovaleric acid; Alpha-amino-gamma-ureidovalerate; Alpha-amino-gamma-ureidovaleric acid; Amino-ureidovalerate; Amino-ureidovaleric acid; CIR; CIT; Cytrulline; D-ureidonorvaline; DL-citrulline; Delta-ureidonorvaline; Gammaureidonorvaline; H-cit-oh; L(+)-2-Amino-5-ureidovalerate; L(+)-2-Amino-5-ureidovaleric acid; L(+)-citrulline; L-2-Amino-5-ureido-valerate; L-2-Amino-5-ureido-valeric acid; L-2-Amino-5-ureidovalerate; L-2-Amino-5-ureidovaleric acid; L-N5-carbamoyl-Ornithine; L-citrulline; L-cytrulline; N()-carbamylornithine; N(5)-(aminocarbonyl)-DL-Ornithine; N(delta)-carbamylornithine; N-carbamylornithine; N5-(Aminocarbonyl)-L-ornithine; N5-(Aminocarbonyl)ornithine; N5-(aminocarbonyl)-Ornithine; N5-Carbamoyl-L-ornithine; N5-carbamoylornithine; N5-carbamylornithine; N<SUP>5</SUP>-(aminocarbonyl)ornithine; ND-carbamylornithine; Ndelta-carbamy-ornithine; Ndelta-carbamylornithine; Ngamma-carbamylornithine; Sitrulline; Ureidonorvaline; Ureidovalerate; Ureidovaleric acid; (2S)-2-amino-5-(carbamoylamino)pentanoate; (S)-2-amino-5-(aminocarbonyl)aminopentanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00125	Glutathione	C10H17N3O6S	307.083801	NA	HMDB2010	NA	NA
+MJ029259	Glutathione 	C10H17N3O6S	307.083805	NA	MeJP	NA	NA
+MetaCyc02743	glutathione [&gamma;-L-glutamyl-L-cysteinyl-glycine;glutathione red;GSH;reduced glutathione;]	C10H17N3O6S1	307.083806	70-18-8	metacyc	NA	NA
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	HMDB	NA	NA
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	Inhouse_PFEM	NA	NA
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR074	Glutathione	C10H17N3O6S	307.083809	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ029260	1,2-Methylenedioxy-6a,7-dehydroaporphine-10,11-quinone 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029261	1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029262	Artabonatine A 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029263	Cepharadione B; N-De-Me 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029264	Cepharadione B; O2-De-Me 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029265	Hallacridone 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029266	Menisporphine; 9-O-De-Me 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029267	Mollinedine 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029268	Moschatoline 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029269	Pareirubrine A; O4,O11-Bisdemethoxy 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029270	Peruvianine 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+MJ029271	Pulvinic acid; Amide 	C18H13NO4	307.084457	NA	MeJP	NA	NA
+C12392	Stealthin C	C18H13NO4	307.0845	NA	KEGG	NA	NA
+C12089	NAC-Diketide	C15H17NO4S	307.0878	NA	KEGG	NA	NA
+C14796	(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene	C15H17NO4S	307.0878	NA	KEGG	NA	NA
+C14797	(1R)-N-Acetyl-L-cysteinyl-(2R)-hydroxy-1,2-dihydronaphthalene	C15H17NO4S	307.0878	NA	KEGG	NA	NA
+C14798	(1S)-Hydroxy-(2S)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene	C15H17NO4S	307.0878	NA	KEGG	NA	NA
+HMDB01177	(S)-Succinyldihydrolipoamide	C12H21NO4S2	307.091187	NA	HMDB2010	NA	NA
+HMDB01177	S-Succinyldihydrolipoamide	C12H21NO4S2	307.09119	http://www.hmdb.ca/metabolites/HMDB01177	HMDB	NA	NA
+HMDB01177	S-Succinyldihydrolipoamide	C12H21NO4S2	307.09119	HMDB01177	PFEM_hmdb_metabocards_official	NA	NA
+MJ029272	S-Succinyldihydrolipoamide 	C12H21NO4S2	307.091199	NA	MeJP	NA	NA
+C01169	S-Succinyldihydrolipoamide	C12H21NO4S2	307.0912	NA	KEGG	NA	NA
+MetaCyc02744	S-succinyl-dihydrolipoamide []	C12H21N1O4S2	307.0912	NA	metacyc	NA	NA
+MJ029273	Cadeguomycin; Nitrile 	C12H13N5O5	307.091668	NA	MeJP	NA	NA
+MJ029274	Nifurizone 	C12H13N5O5	307.091668	NA	MeJP	NA	NA
+MJ029275	Circumdatin C 	C17H13N3O3	307.095691	NA	MeJP	NA	NA
+PJ000241	CW 	C14H17N3O3S	307.0991	NA	PeJP	NA	NA
+MJ029276	Aspergillomarasmine A 	C10H17N3O8	307.101564	NA	MeJP	NA	NA
+PJ000242	SSD 	C10H17N3O8	307.1016	NA	PeJP	NA	NA
+MJ029277	Tolnaftate 	C19H17NOS	307.103084	NA	MeJP	NA	NA
+HMDB05005	Tolnaftate	C19H17NOS	307.103088	NA	HMDB2010	NA	NA
+HMDB05005	Tolnaftate	C19H17NOS	307.10309	http://www.hmdb.ca/metabolites/HMDB05005	HMDB	NA	NA
+HMDB05005	Tolnaftate	C19H17NOS	307.10309	HMDB05005	PFEM_hmdb_metabocards_official	NA	NA
+MJ029278	1H-Indole-3-carboxylic acid; ?-L-Rhamnopyranosyl ester 	C15H17NO6	307.105587	NA	MeJP	NA	NA
+MJ029279	Sulfasymazine 	C13H17N5O2S	307.110295	NA	MeJP	NA	NA
+PFEM044F1	Glutathione	F1	307.1121	NA	Inhouse_original	NA	NA
+PJ000243	GTM 	C11H21N3O5S	307.1202	NA	PeJP	NA	NA
+C10655	Cusparine	C19H17NO3	307.1208	NA	KEGG	NA	NA
+C10738	Rutacridone	C19H17NO3	307.1208	NA	KEGG	NA	NA
+C15195	LY 294002	C19H17NO3	307.1208	NA	KEGG	NA	NA
+MJ029280	Acronycine; N-De-Me 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029281	Anolobine, 6a,7-Didehydro, Me ether, N-Me 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029282	Anonaine, N-Ac 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029283	Belemine 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029284	Clausamine B 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029285	Constrictosine; Di-Me ether 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029286	Cusparine 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029287	De-N-methylnoracronycine; Me ether 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029288	Dehydronuciferine; N-De-Me, N-Formyl 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029289	Duguespixine 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029290	Guadiscidine 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029291	Murrayacine; 7-Methoxy 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029292	Noracronycine 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029293	Rutacridone 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029294	Stephalagine; 6a,7-Didehydro 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029295	Stephanine, 6a,7-Didehydro 	C19H17NO3	307.120843	NA	MeJP	NA	NA
+MJ029296	Teomorfolin 	C13H17N5O4	307.128054	NA	MeJP	NA	NA
+MJ029297	Antibiotic A 53868A 	C11H22N3O5P	307.129707	NA	MeJP	NA	NA
+MJ029298	5,6-Bis(4-methoxyphenyl)-3-methyl-1,2,4-triazine 	C18H17N3O2	307.132076	NA	MeJP	NA	NA
+MJ029299	Pirodomast 	C18H17N3O2	307.132076	NA	MeJP	NA	NA
+PJ000244	STT 	C11H21N3O7	307.138	NA	PeJP	NA	NA
+MJ029300	Antibiotic NK 374200 	C12H17N7O3	307.139287	NA	MeJP	NA	NA
+MJ029301	3-[(4-Formylphenyl)amino]-4,7-dihydroxy-5-octenoic acid; Me ester 	C16H21NO5	307.141972	NA	MeJP	NA	NA
+MJ029302	5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one 	C16H21NO5	307.141972	NA	MeJP	NA	NA
+MJ029303	Convolvine; N-Hydroxy 	C16H21NO5	307.141972	NA	MeJP	NA	NA
+MJ029304	Foliosidine 	C16H21NO5	307.141972	NA	MeJP	NA	NA
+MJ029305	Haplosamine 	C16H21NO5	307.141972	NA	MeJP	NA	NA
+MJ029306	N-(2-Carboxy-3-phenylpropanoyl)leucine 	C16H21NO5	307.141972	NA	MeJP	NA	NA
+C10855	Convoline	C16H21NO5	307.142	NA	KEGG	NA	NA
+MJ029307	Cletoquine 	C16H22ClN3O	307.14514	NA	MeJP	NA	NA
+MJ029308	Zetidoline 	C16H22ClN3O	307.14514	NA	MeJP	NA	NA
+MetaCyc02745	fructoselysine []	C12H23N2O7	307.150526	NA	metacyc	NA	NA
+PJ000245	AAF 	C15H21N3O4	307.1532	NA	PeJP	NA	NA
+MJ029309	1-Benzyl-3-ethyl-6,7-dimethoxyisoquinoline 	C20H21NO2	307.157228	NA	MeJP	NA	NA
+3587	NA	WWPK~	307.16	MH2+	Inhouse_peptide	NA	peptide
+HMDB05023	Zolpidem	C19H21N3O	307.168457	NA	HMDB2010	NA	NA
+HMDB05023	Zolpidem	C19H21N3O	307.16846	http://www.hmdb.ca/metabolites/HMDB05023	HMDB	NA	NA
+HMDB05023	Zolpidem	C19H21N3O	307.16846	HMDB05023	PFEM_hmdb_metabocards_official	NA	NA
+MJ029310	N-(2-Methylaminobenzoyl)tryptamine; Nb-Me 	C19H21N3O	307.168462	NA	MeJP	NA	NA
+MJ029311	Talastine 	C19H21N3O	307.168462	NA	MeJP	NA	NA
+MJ029312	Zolpidem 	C19H21N3O	307.168462	NA	MeJP	NA	NA
+C07219	Zolpidem	C19H21N3O	307.1685	NA	KEGG	NA	NA
+3516	ACE inhibitor	IRAQQ	307.169	MH2+	Inhouse_peptide	NA	peptide
+MJ029313	4-O-(6-Amino-6-deoxyglucopyranosyl)-2,5-dideoxystreptamine 	C12H25N3O6	307.174335	NA	MeJP	NA	NA
+MJ029314	9-Methylstreptimidone 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029315	Anisomycin, O-De-Ac, 3-(3-methylbutanoyl) 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029316	Antibiotic S 632C 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029317	Buflomedil 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029318	Coronafacic acid, L-Valine amide 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029319	Dendroxine; 4-Hydroxy 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029320	Dendroxine; 6-Hydroxy 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029321	Ibopamine 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029322	Parthenolidine; N-Ac 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029323	Parvistemoline 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029324	Stemonine 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029325	Trocimine 	C17H25NO4	307.178358	NA	MeJP	NA	NA
+MJ029326	6-Methyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline 	C18H21N5	307.179695	NA	MeJP	NA	NA
+MJ029327	8-Methyl-6-(4-methyl-1-piperazinyl)-1H-pyrido[2,3-b][1,4]benzodiazepine 	C18H21N5	307.179695	NA	MeJP	NA	NA
+MJ029328	4-Coumaroylspermidine; 3'-Hydroxy 	C16H25N3O3	307.189591	NA	MeJP	NA	NA
+MJ029329	Amphikuemin 	C16H26N3O3(+)	307.189591	NA	MeJP	NA	NA
+C06846	Benztropine	C21H25NO	307.1936	NA	KEGG	NA	NA
+MJ029330	Benzatropine 	C21H25NO	307.193614	NA	MeJP	NA	NA
+MJ029331	Hepzidine 	C21H25NO	307.193614	NA	MeJP	NA	NA
+MJ029332	Nitrarine 	C20H25N3	307.204847	NA	MeJP	NA	NA
+C06849	Betaxolol	C18H29NO3	307.2147	NA	KEGG	NA	NA
+C11760	Amprotropine	C18H29NO3	307.2147	NA	KEGG	NA	NA
+C16952	Dihydrocapsaicin	C18H29NO3	307.2147	NA	KEGG	NA	NA
+MJ029333	2-Amino-5-hydroxybenzoic acid; 9-Methyldecyl ester 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029334	Amprotropine 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029335	Betaxolol 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029336	Butamirate 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029337	Capsaicin; Dihydro 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029338	Fawcettiine 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029339	Lelobanidine, Hydroxy 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029340	Lycoclavine 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029341	Neovasipyridone; N-Et 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029342	Paniculine 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029343	Viriditin 	C18H29NO3	307.214743	NA	MeJP	NA	NA
+MJ029344	Albizzine A 	C17H29N3O2	307.225977	NA	MeJP	NA	NA
+MJ029345	Amoxecaine 	C17H29N3O2	307.225977	NA	MeJP	NA	NA
+MJ029346	2-Amino-2-[2-(4-octylphenyl)ethyl]-1,3-propanediol 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029347	4-Hydroxy-3-methyl-2-butenoic acid, O-Tetradecanoyl, nitrile 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029348	Cylindricine C 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029349	Dysidazirine 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029350	Pumiliotoxin 307B 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029351	Pumiliotoxin A 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029352	Verticilline 	C19H33NO2	307.251129	NA	MeJP	NA	NA
+MJ029353	2,4-Hexadecadienoic acid, 2-Methylpropylamide 	C20H37NO	307.287514	NA	MeJP	NA	NA
+MJ029354	Pyrrolidine; N-(2-Hexadecenoyl)(E-) 	C20H37NO	307.287514	NA	MeJP	NA	NA
+3320	NA	HHPLL	307.668	MH2+	Inhouse_peptide	NA	peptide
+3772	peptide from soybean b-conglycinin (Glycine max)	LLPHH	307.668	MH2+	Inhouse_peptide	NA	peptide
+7070	b-Lg fragment (10-14)	LDIQK	307.67345	MH2+	Inhouse_peptide	NA	peptide
+3060	laminin	SIKVAV	307.6915	MH2+	Inhouse_peptide	NA	peptide
+3651	NA	SIKVAV	307.6915	MH2+	Inhouse_peptide	NA	peptide
+MJ029355	1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane 	C3Br2F6	307.827094	NA	MeJP	NA	NA
+MJ029356	(3,5-Dibromo-4-hydroxyphenyl)acetic acid 	C8H6Br2O3	307.868369	NA	MeJP	NA	NA
+MJ029357	2,6-Dibromo-1,4-benzenediol; 4-Ac 	C8H6Br2O3	307.868369	NA	MeJP	NA	NA
+MJ029358	3,5-Dibromo-2-hydroxybenzoic acid; Me ether 	C8H6Br2O3	307.868369	NA	MeJP	NA	NA
+MJ029359	4-Bromo-5-(bromomethylene)-3-butyl-2(5H)-furanone 	C9H10Br2O2	307.904754	NA	MeJP	NA	NA
+MJ029360	1,6-Dibromo-1,3(8)-ochtodien-4-ol 	C10H14Br2O	307.94114	NA	MeJP	NA	NA
+MJ029361	Chondrocole C 	C10H14Br2O	307.94114	NA	MeJP	NA	NA
+MJ029362	Lachnumol A; 1'-Bromo analogue, 1-ketone 	C10H10BrClO4	307.945099	NA	MeJP	NA	NA
+MJ029363	Chloralose 	C8H11Cl3O6	307.962121	NA	MeJP	NA	NA
+MJ029364	5-(1-Acetoxy-2-chloro-1-buten-3-ynyl)-2,2'-bithiophene 	C14H9ClO2S2	307.973248	NA	MeJP	NA	NA
+MJ029365	Selenazofurin 	C9H12N2O5Se	307.991143	NA	MeJP	NA	NA
+C01143	(R)-5-Diphosphomevalonate	C6H14O10P2	308.0062	NA	KEGG	NA	NA
+MJ029366	3,5-Dihydroxy-3-methylpentanoic acid, 5-Diphosphate 	C6H14O10P2	308.006219	NA	MeJP	NA	NA
+MJ029367	(R)-5-Diphosphomevalonate 	C6H14O10P2	308.006219	NA	MeJP	NA	NA
+MetaCyc02746	mevalonate-bisphosphate [D-ribulose-1,5-diphosphate;mevalonate-DP;mevalonate-35-dp;3,5-diphosphomevalonate;]	C6H14O10P2	308.00622	NA	metacyc	NA	NA
+MetaCyc02747	mevalonate-5-PP [mevalonate-diphosphate;(R)-5-Diphosphomevalonate;]	C6H14O10P2	308.00622	4872-34-8	metacyc	NA	NA
+HMDB01090	5-Diphosphomevalonic acid	C6H14O10P2	308.006226	NA	HMDB2010	NA	NA
+HMDB01981	(R)-Mevalonic acid-5-pyrophosphate	C6H14O10P2	308.006226	NA	HMDB2010	NA	NA
+HMDB01090	5-Diphosphomevalonic acid	C6H14O10P2	308.00623	http://www.hmdb.ca/metabolites/HMDB01090	HMDB	NA	NA
+HMDB01981	R-Mevalonic acid-5-Pyrophosphate	C6H14O10P2	308.00623	http://www.hmdb.ca/metabolites/HMDB01981	HMDB	NA	NA
+HMDB01090	5-Diphosphomevalonic acid	C6H14O10P2	308.00623	HMDB01090	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01981	R-Mevalonic acid-5-Pyrophosphate	C6H14O10P2	308.00623	HMDB01981	PFEM_hmdb_metabocards_official	NA	NA
+MJ029368	1,1,1-Trichloro-4-hydroxy-11-methyl-3,5,7,9-dodecatetraen-2-one 	C13H15Cl3O2	308.013762	NA	MeJP	NA	NA
+C14510	Fensulfothion	C11H17O4PS2	308.0306	NA	KEGG	NA	NA
+MJ029369	5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid 	C14H12O6S	308.035458	NA	MeJP	NA	NA
+C14250	p,p'-Methoxychlor olefin	C16H14Cl2O2	308.0371	NA	KEGG	NA	NA
+HMDB01409	dUMP	C9H13N2O8P	308.04095	http://www.hmdb.ca/metabolites/HMDB01409	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01409	dUMP	C9H13N2O8P	308.04095	http://www.hmdb.ca/metabolites/HMDB01409	HMDB	NA	NA
+HMDB01409	dUMP	C9H13N2O8P	308.04095	http://www.hmdb.ca/metabolites/HMDB01409	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01409	dUMP	C9H13N2O8P	308.04095	HMDB01409	PFEM_hmdb_metabocards_official	NA	NA
+MJ029370	dUMP 	C9H13N2O8P	308.040951	NA	MeJP	NA	NA
+MetaCyc02748	dUMP [U;deoxyurdine-phosphate;2'-deoxyuridine-5-monophosphate;deoxyuridine-phosphate;2'-deoxyuridine-5'-phosphate;2'-deoxyuridylic acid;2'-deoxy-5'-uridylic acid;]	C9H13N2O8P1	308.040952	964-26-1	metacyc	NA	NA
+HMDB01409	dUMP	C9H13N2O8P	308.040955	NA	HMDB2010	NA	NA
+C00365	dUMP	C9H13N2O8P	308.041	NA	KEGG	NA	NA
+MJ029371	Aplysin; 13-Oxo 	C15H17BrO2	308.041192	NA	MeJP	NA	NA
+MJ029372	Caraibical 	C15H17BrO2	308.041192	NA	MeJP	NA	NA
+CJneg0511	dUMP [(M-H)]-	C9H12N2O8P	308.041525	C18rt(min)=1.07 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0511	dUMP [(M-H)]-	C9H12N2O8P	308.041525	C18rt(min)=1.07 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ029373	4-Sulfanilamidosalicylic acid 	C13H12N2O5S	308.046692	NA	MeJP	NA	NA
+MJ029374	Nimesulide 	C13H12N2O5S	308.046692	NA	MeJP	NA	NA
+MJ029375	6,7-Dihydroxy-3-(1-hydroxy-3-oxobutyl)-4-oxo-4H-1-benzopyran-5-carboxylic acid 	C14H12O8	308.053217	NA	MeJP	NA	NA
+MJ029376	Fulvic acid 	C14H12O8	308.053217	NA	MeJP	NA	NA
+MJ029377	Polivione 	C14H12O8	308.053217	NA	MeJP	NA	NA
+C11276	Nimustine hydrochloride	C9H13ClN6O2	308.0555	NA	KEGG	NA	NA
+FL2F1CNF0001	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone	C18H12O5	308.06847	329014-33-7	knapsack	NA	NA
+FLID1CNF0001	Neodulin;Edulin	C18H12O5	308.06847	13401-64-4	knapsack	NA	NA
+MJ029378	Antibiotic PF 1093 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029379	Ascocorynin 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029380	Isopongaglabol; 6-Methoxy 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029381	Ligustrone A 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029382	Milletenin B; Demethoxy 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029383	Neoduleen; 6aR,12aR-Dihydro 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029384	Pulvinic acid 	C18H12O5	308.068473	NA	MeJP	NA	NA
+MJ029385	Pinazepam 	C18H13ClN2O	308.07164	NA	MeJP	NA	NA
+HMDB03761	1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol	C11H16O10	308.07434	http://www.hmdb.ca/metabolites/HMDB03761	HMDB	NA	NA
+HMDB06861	3-D-Glucosyl-1,2-diacylglycerol	C11H16O10	308.07434	http://www.hmdb.ca/metabolites/HMDB06861	HMDB	NA	NA
+HMDB03761	1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol	C11H16O10	308.07434	HMDB03761	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06861	3-D-Glucosyl-1,2-diacylglycerol	C11H16O10	308.07434	HMDB06861	PFEM_hmdb_metabocards_official	NA	NA
+MJ029386	L-xylo-Hexulonolactone 	C11H16O10	308.074346	NA	MeJP	NA	NA
+MJ029387	3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 1'-O-?-D-Galactopyranoside 	C11H16O10	308.074346	NA	MeJP	NA	NA
+MJ029388	3,4-Dihydroxy-5-(hydroxymethyl)-2(5H)-furanone, 1'-O-?-D-Glucopyranoside 	C11H16O10	308.074346	NA	MeJP	NA	NA
+MJ029389	Flazin 	C17H12N2O4	308.079706	NA	MeJP	NA	NA
+MJ029390	Imbiline 1; 11-Hydroxy 	C17H12N2O4	308.079706	NA	MeJP	NA	NA
+MJ029391	Alprazolam 	C17H13ClN4	308.082874	NA	MeJP	NA	NA
+MJ029392	Liarozole 	C17H13ClN4	308.082874	NA	MeJP	NA	NA
+C06817	Alprazolam	C17H13ClN4	308.0829	NA	KEGG	NA	NA
+MJ029393	1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine 	C14H16N2O4S	308.083077	NA	MeJP	NA	NA
+C17934	Clobenpropit	C14H17ClN4S	308.0862	NA	KEGG	NA	NA
+MJ029394	Clobenpropit 	C14H17ClN4S	308.086244	NA	MeJP	NA	NA
+C09766	Allamandin	C15H16O7	308.0896	NA	KEGG	NA	NA
+MJ029395	1,2-Secodihydromicromelin 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029396	2-Hydroxy-3,4-anhydroneomajacin; 2-Ketone 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029397	4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one, 6-O-(2-Hydroxy-6-methylbenzoyl) 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029398	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 5-O-(2,3-dihydroxy-3-methylbutyl) 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029399	5,8-Dihydroxy-6-hydroxymethyl-7-(2-hydroxypropyl)-2-methoxy-1,4-naphthoquinone 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029400	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Methylene ether, 8-O-(2,3-dihydroxy-3-methylbutyl) 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029401	6-(3-Hydroxybutyl)-7-methoxy-2,3,5-trihydroxy-1,4-naphthoquinone 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029402	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-O-(2-Hydroxy-3-methylbutanoyl) 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029403	Allamandicin 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029404	Allamandin 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029405	Fusarubin; 4a?,10a?-Dihydro 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029406	Fusarubin; 4a?,10a?-Dihydro 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029407	Neoliacinolide A 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029408	Plumieridine 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029409	Purpurenol; O5-De-Me 	C15H16O7	308.089602	NA	MeJP	NA	NA
+MJ029410	Cycotiamine 	C13H16N4O3S	308.094311	NA	MeJP	NA	NA
+C08549	Indicaxanthin	C14H16N2O6	308.1008	NA	KEGG	NA	NA
+MJ029411	Indicaxanthin 	C14H16N2O6	308.100836	NA	MeJP	NA	NA
+FL1CHYNF0004	O-Methylpongamol	C19H16O4	308.10485	80158-88-9	knapsack	NA	NA
+HMDB01935	Warfarin	C19H16O4	308.104858	NA	HMDB2010	NA	NA
+HMDB02114	Bisdemethoxycurcumin	C19H16O4	308.104858	NA	HMDB2010	NA	NA
+MJ029412	1,2,7,8-Pyrenetetrol; 1,2,8-Tri-Me ether 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029413	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029414	2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-(2-propenyl)benzofuran; 3',4'-Methylene, 7-Me ether 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029415	2-(4-Hydroxyphenyl)-7-methoxy-5-(1-propenyl)-3-benzofurancarboxaldehyde 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029416	3,4-Dihydro-6,7-dihydroxy-1-[3-(4-hydroxyphenyl)-2-propenylidene]-2(1H)-naphthalenone 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029417	Curcumin; Bis-demethoxy 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029418	Emycin D 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029419	Eupomatenoid 11; 2'-Ketone 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029420	Glyinflanin H 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029421	Kanzonol U 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029422	Kigelinol 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029423	Moracin D 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029424	Moracin E 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029425	Moracin G 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029426	Ochromycinone, 5,6-Dihydro 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029427	Plectranthone E 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029428	Pongamol; 3-Me enol ether 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029429	Rubiginone A1; 4-Deoxy, O-de-Me 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029430	Tanshinonal 	C19H16O4	308.104859	NA	MeJP	NA	NA
+MJ029431	Warfarin 	C19H16O4	308.104859	NA	MeJP	NA	NA
+HMDB01935	Warfarin	C19H16O4	308.10486	http://www.hmdb.ca/metabolites/HMDB01935	HMDB	NA	NA
+HMDB02114	Bisdemethoxycurcumin	C19H16O4	308.10486	http://www.hmdb.ca/metabolites/HMDB02114	HMDB	NA	NA
+HMDB01935	Warfarin	C19H16O4	308.10486	HMDB01935	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02114	Bisdemethoxycurcumin	C19H16O4	308.10486	HMDB02114	PFEM_hmdb_metabocards_official	NA	NA
+C01541	Warfarin	C19H16O4	308.1049	NA	KEGG	NA	NA
+C17743	Bisdemethoxycurcumin	C19H16O4	308.1049	NA	KEGG	NA	NA
+MJ029432	4-Amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide 	C12H16N6O2S	308.105544	NA	MeJP	NA	NA
+MetaCyc02749	porphyrin-ring []	C20H12N4	308.106196	NA	metacyc	NA	NA
+MJ029433	5-Cyclohexene-1,2,3,4-tetrol, 2-O-?-D-Glucopyranoside 	C12H20O9	308.110732	NA	MeJP	NA	NA
+MJ029434	5-Cyclohexene-1,2,3,4-tetrol, 3-O-?-D-Glucopyranoside 	C12H20O9	308.110732	NA	MeJP	NA	NA
+MJ029435	5-Cyclohexene-1,2,3,4-tetrol, 4-O-?-D-Glucopyranoside 	C12H20O9	308.110732	NA	MeJP	NA	NA
+MJ029436	5-Cyclohexene-1,2,3,4-tetrol, 1-O-?-D-Galactopyranoside 	C12H20O9	308.110732	NA	MeJP	NA	NA
+MJ029437	5-Cyclohexene-1,2,3,4-tetrol, 2- or 3-O-?-D-Glucopyranoside 	C12H20O9	308.110732	NA	MeJP	NA	NA
+MJ029438	6-(3-Hydroxy-3-methyl-1-butenyl)-1-phenazinecarboxylic acid 	C18H16N2O3	308.116092	NA	MeJP	NA	NA
+MJ029439	Amfonelic acid 	C18H16N2O3	308.116092	NA	MeJP	NA	NA
+MJ029440	Anonaine, N-Carbamoyl 	C18H16N2O3	308.116092	NA	MeJP	NA	NA
+MJ029441	Azaacridone A 	C18H16N2O3	308.116092	NA	MeJP	NA	NA
+MJ029442	Roquinimex 	C18H16N2O3	308.116092	NA	MeJP	NA	NA
+MJ029443	Spiguetidine 	C18H16N2O3	308.116092	NA	MeJP	NA	NA
+MJ029444	3'-Amino-3'-deoxyadenosine; 3'N-Ac 	C12H16N6O4	308.123303	NA	MeJP	NA	NA
+MJ029445	Adenosine-5'-uronic acid; N-Ethylamide 	C12H16N6O4	308.123303	NA	MeJP	NA	NA
+MJ029446	N6-(Carbamoylmethyl)-2'-deoxyadenosine 	C12H16N6O4	308.123303	NA	MeJP	NA	NA
+MJ029447	1,3-Dihydro-3,7-dihydroxy-5-methoxy-6-methyl-4-isobenzofurancarboxylic acid; 7-(3-Methyl-2-butenyl) ether 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029448	1-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Methylene, 5'-Me ether, O2-angeloyl 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029449	2,3,4,8-Tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 3-Ketone, 4-Me ether 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029450	3,4,5,6,7,8-Hexahydro-7,12,14-trihydroxy-3-methyl-1H-2-benzoxacyclodecin-1,9(10H)-dione 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029451	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 8-O-(4-hydroxy-3-methylbutyl) 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029452	5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 2'-Hydroxy, 7-Me ether 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029453	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-Hydroxy-3-methoxy-3-methylbutyl) 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029454	Cladosporin; 4'-Hydroxy 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029455	Cladosporin; 5'-Hydroxy 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029456	Cornexistin 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029457	Curvularin, 11?-Hydroxy 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029458	Curvularin, 11?-Hydroxy 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029459	Egelolide; 8-Ac 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029460	Epoxyconiferyl alcohol; 4'-O-(2-Methylpropanoyl), 1-Ac 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029461	Eucommiol; 6-(4-Hydroxybenzoyl) 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029462	Mexoticin 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029463	Monocerin 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029464	Pyrenophorol; Diketone 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029465	Ramigenic acid 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029466	Riburonic acid; ?-D-Furanose-form, Benzyl glycoside, 2,3-O-isopropylidene, Me ester 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029467	Scytalol A; 3-Me ether 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029468	Tetrahydroaltersolanol B 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029469	Toddalolactone 	C16H20O6	308.125988	NA	MeJP	NA	NA
+MJ029470	Vernodalol; 8-Deacyl 	C16H20O6	308.125988	NA	MeJP	NA	NA
+C08483	14-Dihydroxycornestin	C16H20O6	308.126	NA	KEGG	NA	NA
+C09953	Monocerin	C16H20O6	308.126	NA	KEGG	NA	NA
+MJ029471	Nifenazone 	C17H16N4O2	308.127325	NA	MeJP	NA	NA
+MJ029472	2-(3,4-Dimethoxy-5-propylphenyl)-4,5-dihydro-N-hydroxy-4-oxazolecarboxamide 	C15H20N2O5	308.137221	NA	MeJP	NA	NA
+MJ029473	Iprofenin 	C15H20N2O5	308.137221	NA	MeJP	NA	NA
+MJ029474	1,14-Diisothiocyanato-1,13-tetradecadiene 	C16H24N2S2	308.13809	NA	MeJP	NA	NA
+FL1C19NI0001	Isocordoin	C20H20O3	308.14124	52601-05-5<BR>51619-57-9<BR>55332-93-9	knapsack	NA	NA
+FL1C19NI0002	2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone	C20H20O3	308.14124	57621-12-2	knapsack	NA	NA
+FL1C1ANI0003	Derricidin	C20H20O3	308.14124	38965-74-1	knapsack	NA	NA
+FL2F19NI0001	Isoderricidin	C20H20O3	308.14124	38965-76-3	knapsack	NA	NA
+FL2F19NI0003	Ovaliflavanone B	C20H20O3	308.14124	78045-73-5	knapsack	NA	NA
+MJ029475	-Hydroxyflavanone, 3-Methyl-2-butenyl ether 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029476	18(4?3)-Abeo-2-hydroxy-20-nor-1,3,5(10),6,8,13-abietahexaene-11,12-dione; Me ether 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029477	2',4'-Dihydroxy-3'-prenylchalcone 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029478	2',4'-Dihydroxychalcone; 4'-O-(3-Methyl-2-butenyl) 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029479	2,5-Bis(2-methoxy-5-methylphenyl)furan 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029480	3,4-Dihydro-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b':3,4-b']dipyran 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029481	5,10-Dihydroxy-1,3,5,7,10,12,14-amphilectaheptaen-9-one 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029482	7-Hydroxy-8-prenylflavanone 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029483	7-[2-(3,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran-5-ol, 3'-Deoxy, 5-Me ether 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029484	?-Isocordoin 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029485	Asnipyrone B 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029486	Biflorin 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029487	Carinatidin; 3'-Demethoxy, Me ether 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029488	Eupomatenoid 6; 3'-Methoxy, Me ether 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029489	Eupomatenoid 6; 7-Methoxy, Me ether 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029490	Salvilenone; 3-Hydroxy 	C20H20O3	308.141244	NA	MeJP	NA	NA
+MJ029491	Brevobiose 	C13H24O8	308.147117	NA	MeJP	NA	NA
+MJ029492	Viminose 	C13H24O8	308.147117	NA	MeJP	NA	NA
+MJ029493	Benzhydrazone 	C15H16N8	308.149792	NA	MeJP	NA	NA
+MJ029494	(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(3-Pyridinecarbonyl) 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029495	3-[(2,4-Dimethoxyphenyl)methylene]-3,4,5,6-tetrahydro-2,3'-bipyridine 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029496	Antirhine lactone 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029497	Henningsamide; N-De(hydroxyacetyl) 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029498	Meloscine; Natural-form, 17-Epimer, 9-hydroxy 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029499	Meloscine; Natural-form, 17-Epimer, N4-oxide 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029500	Methuenine; 6-Oxo 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029501	Nor-C-fluorocurarine, 18-Hydroxy 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029502	Nor-C-fluorocurarine, Nb-Oxide 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029503	Phenylbutazone 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029504	Purpeline; O,N-Di-de-Me 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029505	Rhazinicine 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029506	Rhazinilam, 3-Oxo 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+MJ029507	Vincanidine 	C19H20N2O2	308.152477	NA	MeJP	NA	NA
+C07440	Phenylbutazone	C19H20N2O2	308.1525	NA	KEGG	NA	NA
+MJ029508	Norclostebol 	C18H25ClO2	308.154307	NA	MeJP	NA	NA
+MJ029509	Kasuganobiosamine 	C12H24N2O7	308.158351	NA	MeJP	NA	NA
+C16488	Fructoselysine	C12H24N2O7	308.1584	NA	KEGG	NA	NA
+MJ029510	1,10-Epoxy-3-hydroxy-4-germacren-12,8-olide, Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029511	1,11-Dihydroxy-4(15)-eudesmen-12,6-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029512	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029513	1,3-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 3-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029514	1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029515	1,3-Dihydroxy-4-eudesmen-12,6-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029516	1,4-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029517	1,4-Dihydroxy-2-eudesmen-12,6-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029518	1,5-Dihydroxy-3-eudesmen-12,6-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029519	1,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029520	1,6-Dihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029521	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 11?,13-Dihydro, 6-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029522	1,8-Dihydroxy-3-eudesmen-12,6-olide, 8-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029523	1,8-Dihydroxy-3-eudesmen-12,6-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029524	1,8-Dihydroxy-4(15)-eudesmen-12,6-olide, 8-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029525	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029526	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029527	1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029528	1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 9-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029529	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, Dihydro, 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029530	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029531	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029532	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029533	2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029534	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029535	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 4-ketone, 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029536	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029537	3,10-Dihydroxy-4,11(13)-muuroladien-12-oic acid, 3-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029538	3,15-Scirpenediol; 3?-form, 3-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029539	3,20-Epoxy-3,14-dihydroxy-19,6-podocarpanolide 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029540	3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029541	3,7-Dihydroxy-4-eudesmen-12,6-olide, 7-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029542	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, O-(3-methylbutanoyl) 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029543	3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid, 1-Deoxy 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029544	4,10-Dihydroxy-11(13)-guaien-12,8-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029545	4,14-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029546	4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 15-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029547	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 15-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029548	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029549	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro, Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029550	4,5-Epoxy-9-hydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro, Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029551	4,5-Seconeopulchell-5-ene; 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029552	4,5-Seconeopulchell-5-ene; 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029553	4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029554	4,6-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029555	5,6,8-Trihydroxy-7-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tetra-Me ether 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029556	5,7,8-Trihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; Tetra-Me ether 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029557	5,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029558	5,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 9-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029559	6,7-Dihydroxy-8-drimen-11,12-olide, 6-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029560	6,9-Dihydroxy-7-drimen-12,11-olide, 6-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029561	6,9-Dihydroxy-7-drimene-11,12-dial, 6-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029562	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029563	8-Hydroxy-3-oxo-1(10)-germacren-12,6-olide, Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029564	8-Oxo-6-eremophilene-12,15-dioic acid; Di-Me ester 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029565	9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 4?,5?-Epoxide, 9-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029566	9-Hydroxy-4,11(13)-eudesmadien-12-oic acid, 4?,5?-Epoxide, 9-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029567	ACRL Toxins; ACRL Toxin II 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029568	Altamisic acid; Et ester 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029569	Cytosporin C; 6-Ketone 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029570	Euplotin B; 10,11-Dihydro 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029571	Evodione; 1'-Alcohol, Me ether 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029572	Fukinolidiol; 1-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029573	Gregatin C, Stereoisomer, Me ether 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029574	Ivambrin; 2-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029575	Lasiodiplodin, 4S-Hydroxy 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029576	Lasiodiplodin, 5R-Hydroxy 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029577	Lasiodiplodin, 5S-Hydroxy 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029578	Lasiodiplodin, Hydroxy 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029579	Linifolone, 10,11-Dihydro, 10-acetoxy 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029580	Naematolin 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029581	Plagiochiline I 	C17H24O5	308.162373	NA	MeJP	NA	NA
+MJ029582	Zafronic acid; 3-Ac 	C17H24O5	308.162373	NA	MeJP	NA	NA
+C09483	Inulicin	C17H24O5	308.1624	NA	KEGG	NA	NA
+C09638	Cinnamodial	C17H24O5	308.1624	NA	KEGG	NA	NA
+C00732	Ubenimex	C16H24N2O4	308.1736	NA	KEGG	NA	NA
+C00734	Chitosan	C12H24N2O9	308.1736	NA	KEGG	NA	NA
+MJ029583	Bestatin 	C16H24N2O4	308.173607	NA	MeJP	NA	NA
+MJ029584	Diacetolol 	C16H24N2O4	308.173607	NA	MeJP	NA	NA
+MJ029585	Baquiloprim 	C17H20N6	308.174944	NA	MeJP	NA	NA
+MJ029586	9-(2-Fluoro-1-methylpropyl)-2-methoxy-6-(1-piperazinyl)-9H-purine 	C14H21FN6O	308.176087	NA	MeJP	NA	NA
+MJ029587	1,7-Diphenyl-6-hepten-3-ol, Ac 	C21H24O2	308.17763	NA	MeJP	NA	NA
+MJ029588	17-Hydroxy-11-methylene-19-norpregna-4,15-dien-20-yn-3-one 	C21H24O2	308.17763	NA	MeJP	NA	NA
+MJ029589	2-(3-Methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Di-Me ether 	C21H24O2	308.17763	NA	MeJP	NA	NA
+MJ029590	Cyclozonarone 	C21H24O2	308.17763	NA	MeJP	NA	NA
+MJ029591	Dehydrocannabifuran 	C21H24O2	308.17763	NA	MeJP	NA	NA
+MJ029592	Gestrinone 	C21H24O2	308.17763	NA	MeJP	NA	NA
+HMDB02720	Gestrinone	C21H24O2	308.17764	http://www.hmdb.ca/metabolites/HMDB02720	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02720	Gestrinone	C21H24O2	308.17764	http://www.hmdb.ca/metabolites/HMDB02720	HMDB	NA	NA
+HMDB02720	Gestrinone	C21H24O2	308.17764	http://www.hmdb.ca/metabolites/HMDB02720	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02720	Gestrinone	C21H24O2	308.17764	HMDB02720	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02720	Gestrinone	C21H24O2	308.177643	NA	HMDB2010	NA	NA
+MJ029593	1,3-Octanediol, 1-O-?-D-Glucopyranoside 	C14H28O7	308.183503	NA	MeJP	NA	NA
+MJ029594	Antibiotic SF 2369 	C15H24N4O3	308.18484	NA	MeJP	NA	NA
+MJ029595	Affinisine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029596	Aristolasicone 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029597	Aristone 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029598	Aristoteline, 13-Oxo 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029599	Aristoteline, 8-Oxo 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029600	Aspidofractinine, 14,15-Didehydro, 12-hydroxy, N1-Me 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029601	Aspidospermatidine; N-Ac 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029602	Borrecapine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029603	Dihydrocycloakagerine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029604	Indecainide 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029605	Kopsanol 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029606	Koumine, 1,2-Dihydro 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029607	Nitraraine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029608	Rosibiline 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029609	Serratenone 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029610	Taberpsychine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029611	Tangutorine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029612	Tetraphyllicine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029613	Tombozine; Me ether 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029614	Ubisindine 	C20H24N2O	308.188863	NA	MeJP	NA	NA
+MJ029615	C-Mavacurine 	C20H25N2O(+)	308.188863	NA	MeJP	NA	NA
+MJ029616	Tombozine; N4-Me 	C20H25N2O(+)	308.188863	NA	MeJP	NA	NA
+C09022	Affinisine	C20H24N2O	308.1889	NA	KEGG	NA	NA
+C09051	Borrecapine	C20H24N2O	308.1889	NA	KEGG	NA	NA
+C12075	Tetraphyllicine	C20H24N2O	308.1889	NA	KEGG	NA	NA
+C15396	3beta-Chloro-5-androsten-17beta-ol	C19H29ClO	308.1907	NA	KEGG	NA	NA
+MJ029617	1-(2,4,6-Trihydroxyphenyl)-1-dodecanone 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029618	1-(2,6-Dihydroxyphenyl)-1-dodecanone; 3-Hydroxy 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029619	12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid; ent-form, Ac 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029620	15,16-Dinor-8(17)-labdene-14,19-dioic acid 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029621	16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029622	2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 5-Me ether 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029623	3-Hydroxy-14,15-dinor-13-oxo-8(17)-labden-19-oic acid; 3?-form 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029624	3-[(7-Hydroxy-13-methyl-1-tetradecene-3,5-diynyl)oxy]-1,2-propanediol 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029625	7,12-Dioxo-8,10-octadecadienoic acid 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029626	8-Methyl-1'-oxonorpodopyrone; 8-Demethyl 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029627	9-Hydroxy-16-oxo-10,12,14-octadecatrienoic acid 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029628	Albocycline K2 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029629	Albocycline 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029630	Antibiotic ML 236A; 8-Deoxy, 3,5-dihydro, 3?-hydroxy 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029631	Chromomoric acid 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029632	Cymathere ether A 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029633	Diplodiatoxin 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029634	Ecklonialactone C 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029635	Lactomycin 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029636	Litseakolide A 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029637	Sorokinianin 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029638	Xestodiol 	C18H28O4	308.198759	NA	MeJP	NA	NA
+MJ029639	[6]-Gingerol, Me ether 	C18H28O4	308.198759	NA	MeJP	NA	NA
+C10373	5-O-Methylembelin	C18H28O4	308.1988	NA	KEGG	NA	NA
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR470	Thromboxane B2 F3	NA	308.201625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR470	Thromboxane B2 F3	NA	308.201625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR470	Thromboxane B2 F3	NA	308.201625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR470	Thromboxane B2 F3	NA	308.201625	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR470	Thromboxane B2 F3	F3	308.201625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ029640	Ambucaine 	C17H28N2O3	308.209992	NA	MeJP	NA	NA
+MJ029641	Metabutoxycaine 	C17H28N2O3	308.209992	NA	MeJP	NA	NA
+MJ029642	Oxybuprocaine 	C17H28N2O3	308.209992	NA	MeJP	NA	NA
+MJ029643	1-Hexadecanesulfonyl fluoride 	C16H33FO2S	308.218529	NA	MeJP	NA	NA
+MJ029644	1,11,14-Heptadecatriene-8,9-diol, 8-Ac 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029645	1,11,14-Heptadecatriene-8,9-diol, 9-Ac 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029646	1,6,10-Farnesatriene-3,9-diol; 9-(2-Methylpropanoyl) 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029647	10-Oxo-11-octadecynoic acid; Me ester 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029648	19-Nor-4,16,17-kauranetriol 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029649	3,4:7,8-Diepoxy-1,4,8,12,12-pentamethylbicyclo[9.3.0]tetradecan-14-ol 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029650	3-Methyl-5-pentyl-2-furannonanoic acid 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029651	3-Methyl-5-propyl-2-furannonanoic acid; Et ester 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029652	4,6-Dihydroxy-20-nor-2,7-cembradien-12-one 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029653	4-Amorphene-3,11-diol, 3-(2-Methylpropanoyl) 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029654	4-Methyljuvenile hormone I 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029655	5-Tridecyl-1,3-benzenediol; 12'S-Hydroxy 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029656	8-Methyl-1'-oxonorpodopyrone; 1'-Deoxo 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029657	8-Oxo-9-octadecynoic acid; Me ester 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029658	Androstane-3,16,17-triol 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029659	Androstane-3,6,17-triol 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029660	Dictyopyrone A; 10',11'-Dihydro 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029661	Dihydro-4-hydroxy-5-methylene-3-tetradecylidene-2(3H)-furanone 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029662	Juvenile hormone O 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029663	Litsenolide E1 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029664	Podopyrone 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029665	[3,5-Diethyl-5-(2-ethylhexyl)-2(5H)-furanylidene]acetic acid, Me ester 	C19H32O3	308.235144	NA	MeJP	NA	NA
+MJ029666	7-[5-(1-Octenyl)-4-imidazolidinyl]-5-heptenoic acid 	C18H32N2O2	308.246378	NA	MeJP	NA	NA
+MJ029667	8,13-Epithiolabdane 	C20H36S	308.253771	NA	MeJP	NA	NA
+MJ029668	9,13-Epithiolabdane 	C20H36S	308.253771	NA	MeJP	NA	NA
+C09183	Sclareol	C20H36O2	308.2715	NA	KEGG	NA	NA
+C16525	Icosadienoic acid	C20H36O2	308.2715	NA	KEGG	NA	NA
+HMDB05060	Eicosadienoic acid	C20H36O2	308.271515	NA	HMDB2010	NA	NA
+MJ029669	10,14-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029670	10,15-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029671	11,14-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029672	11,15-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029673	13-(2-Cyclopentenyl)tridecanoic acid, Et ester 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029674	13-Labdene-8,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029675	13-Labdene-9,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029676	14-Halimene-5,13-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029677	14-Labdene-8,13-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029678	2,13-Octadecadien-1-ol, Ac 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029679	2-Cyclopentene-1-pentadecanoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029680	2-Phyten-1,20-olide 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029681	3,13-Clerodadiene-15,17-diol, 13?,14-Dihydro 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029682	3,13-Octadecadien-1-ol, Ac 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029683	3-Clerodene-15,18-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029684	3-Viscidene-5,16-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029685	5(10)-Halimene-3,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029686	5,11-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029687	5,16-Rosanediol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029688	6,11-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029689	6,14-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029690	7,8-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029691	7-Labdene-15,17-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029692	7-Labdene-2,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029693	7-Labdene-3,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029694	8(17)-Labdene-14,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029695	8(17)-Labdene-15,18-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029696	8(17)-Labdene-15,19-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029697	8(17)-Labdene-2,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029698	8(17)-Labdene-3,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029699	8(17)-Labdene-6,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029700	8(17)-Labdene-7,15-diol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029701	8,11-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029702	8,13-Epoxy-15-labdanal, 15-Alcohol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029703	8,15-Labdanediol, 15-Aldehyde 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029704	9,13-Eicosadienoic acid 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029705	Helipterol; 11,18-Dihydro, 11?-hydroxy 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029706	Magydardienediol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029707	Peucelinendiol 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029708	Siphonarienolone; 5-Ketone 	C20H36O2	308.27153	NA	MeJP	NA	NA
+MJ029709	16-Methyl-1-eicosyn-3-ol 	C21H40O	308.307915	NA	MeJP	NA	NA
+MJ029710	19-Methyl-1-eicosyn-3-ol 	C21H40O	308.307915	NA	MeJP	NA	NA
+MJ029711	6-Heneicosen-11-one 	C21H40O	308.307915	NA	MeJP	NA	NA
+MJ029712	7-Heneicosen-11-one 	C21H40O	308.307915	NA	MeJP	NA	NA
+MJ029713	1-Docosene 	C22H44	308.344301	NA	MeJP	NA	NA
+3864	NA	PKNYP	308.65195	MH2+	Inhouse_peptide	NA	peptide
+4009	LTD 1	EQLTK	308.6625	MH2+	Inhouse_peptide	NA	peptide
+3359	NA	KVLAGM	308.6722	MH2+	Inhouse_peptide	NA	peptide
+MJ029714	2-Amino-4,6-dibromo-3-hydroxybenzoic acid 	C7H5Br2NO3	308.863618	NA	MeJP	NA	NA
+MJ029715	4-Bromophakellin 	C11H12BrN5O	309.022522	NA	MeJP	NA	NA
+MJ029716	Hymenin; 2-Debromo 	C11H12BrN5O	309.022522	NA	MeJP	NA	NA
+MJ029717	Oroidin; 2-Debromo 	C11H12BrN5O	309.022522	NA	MeJP	NA	NA
+MJ029718	Brofaromine 	C14H16BrNO2	309.036441	NA	MeJP	NA	NA
+CJneg0512	?-hydroxyhippuric acid [(M-H)+(HCOOH)+(HCOONa)]-	C11H11NNaO8	309.046625	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0512	?-hydroxyhippuric acid [(M-H)+(HCOOH)+(HCOONa)]-	C11H11NNaO8	309.046625	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ029719	Tambjamine A; 5'-Bromo, 1''-N-propyl 	C13H16BrN3O	309.047674	NA	MeJP	NA	NA
+C15466	N-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)maleamic acid	C17H11NO5	309.0637	NA	KEGG	NA	NA
+MJ029720	1,2,10-Trihydroxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione; 1-Me ether 	C17H11NO5	309.063722	NA	MeJP	NA	NA
+MJ029721	1,2,10-Trihydroxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione; 2-Me ether 	C17H11NO5	309.063722	NA	MeJP	NA	NA
+MJ029722	1,2,3,7-Tetrahydroxydibenz[cd,f]indol-4(5H)one; 1,2-Methylene, 7-Me ether 	C17H11NO5	309.063722	NA	MeJP	NA	NA
+MJ029723	1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7-Me ether 	C17H11NO5	309.063722	NA	MeJP	NA	NA
+MJ029724	1,2,7,8-Tetrahydroxydibenz[cd,f]indol-4(5H)one; 1,2-Methylene, 8-Me ether 	C17H11NO5	309.063722	NA	MeJP	NA	NA
+MJ029725	Aristolactam C II; 1'-Carboxylic acid, O2-de-Me 	C17H11NO5	309.063722	NA	MeJP	NA	NA
+MJ029726	Isoschumanniophytine; N-Me 	C17H12NO5(+)	309.063722	NA	MeJP	NA	NA
+MJ029727	Schumanniophytine; N-Me 	C17H12NO5(+)	309.063722	NA	MeJP	NA	NA
+MJ029728	Trazium(1+) 	C17H13ClN3O(+)	309.066889	NA	MeJP	NA	NA
+MJ029729	3-(3-Indolylmethyl)-5-(2-methylpropyl)-1,2,4-trithiolane 	C15H19NS3	309.067961	NA	MeJP	NA	NA
+MJ029730	Romazarit 	C15H16ClNO4	309.076785	NA	MeJP	NA	NA
+MJ029731	Glymidine 	C13H15N3O4S	309.078326	NA	MeJP	NA	NA
+MJ029732	Sulfafurazole; N-Ac 	C13H15N3O4S	309.078326	NA	MeJP	NA	NA
+PJ000246	GCM 	C10H19N3O4S2	309.0817	NA	PeJP	NA	NA
+HMDB10319	Inodxyl glucuronide	C14H15NO7	309.084839	NA	HMDB2010	NA	NA
+MJ029733	1H-Indol-3-ol; OH-form, O-D-xylo-Hexofuranoside 	C14H15NO7	309.084851	NA	MeJP	NA	NA
+MJ029734	Aspartic acid, N-(4-Hydroxy-3-methoxycinnamoyl) 	C14H15NO7	309.084851	NA	MeJP	NA	NA
+MJ029735	Narciclasine; 1,10b?-Dihydro 	C14H15NO7	309.084851	NA	MeJP	NA	NA
+MJ029736	Pancratistatin, 7-Deoxy 	C14H15NO7	309.084851	NA	MeJP	NA	NA
+C08494	Isotan B	C14H15NO7	309.0849	NA	KEGG	NA	NA
+C12255	7-Deoxypancratistatin	C14H15NO7	309.0849	NA	KEGG	NA	NA
+MJ029737	Sulfaguanole 	C12H15N5O3S	309.08956	NA	MeJP	NA	NA
+PJ000247	STC 	C10H19N3O6S	309.0995	NA	PeJP	NA	NA
+C10713	Lunamarine	C18H15NO4	309.1001	NA	KEGG	NA	NA
+MJ029738	1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 2,3-Di-Me ether, N-Me 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029739	1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029740	1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029741	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029742	1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline; 1,2-Dihydro 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029743	1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline; ?-Alcohol 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029744	Anolobine, N-Formyl 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029745	Aristolactam C II 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029746	Atalaphyllidine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029747	Clausevatine E; 1'-Deoxy, 1',2'-didehydro 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029748	Crystamidine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029749	Graveoline; 5'-Methoxy 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029750	Guattescidine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029751	Isosevanine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029752	Lunamarine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029753	Neolitsine, N-De-Me 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029754	Norrufescine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029755	Ovigerine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029756	Reframidine, N-De-Me 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029757	Sevanine 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029758	Thehaplosin 	C18H15NO4	309.100107	NA	MeJP	NA	NA
+MJ029759	Bencisteine 	C15H19NO4S	309.103478	NA	MeJP	NA	NA
+CJpos0729	N-acetylneuraminic acid [(M+H)]+	C11H20NO9	309.105475	C18rt(min)=0.9 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0729	N-acetylneuraminic acid [(M+H)]+	C11H20NO9	309.105475	C18rt(min)=0.9 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ029760	N-Acetylneuraminate 	C11H19NO9	309.105981	NA	MeJP	NA	NA
+MJ029761	N-Acetylneuraminic acid 	C11H19NO9	309.105981	NA	MeJP	NA	NA
+MetaCyc02750	N-acetylneuraminate [sialic acid;NANA;O-sialic acid;sialate;N-acetylneuraminic acid;]	C11H19N1O9	309.105981	131-48-6	metacyc	NA	NA
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	HMDB	NA	NA
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	Inhouse_PFEM	NA	NA
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR042	SialicAcid	C11H19NO9	309.105984	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00230	N-Acetylneuraminic acid	C11H19NO9	309.105988	NA	HMDB2010	NA	NA
+HMDB00773	N-Acetyl-a-neuraminic acid	C11H19NO9	309.105988	NA	HMDB2010	NA	NA
+HMDB00230	N-Acetylneuraminic acid	C11H19NO9	309.10599	http://www.hmdb.ca/metabolites/HMDB00230	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00230	N-Acetylneuraminic acid	C11H19NO9	309.10599	http://www.hmdb.ca/metabolites/HMDB00230	HMDB	NA	NA
+HMDB00773	N-Acetyl-a-neuraminic acid	C11H19NO9	309.10599	http://www.hmdb.ca/metabolites/HMDB00773	HMDB	NA	NA
+HMDB00230	N-Acetylneuraminic acid	C11H19NO9	309.10599	http://www.hmdb.ca/metabolites/HMDB00230	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00230	N-Acetylneuraminic acid	C11H19NO9	309.10599	HMDB00230	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00773	N-Acetyl-a-neuraminic acid	C11H19NO9	309.10599	HMDB00773	PFEM_hmdb_metabocards_official	NA	NA
+EUR042	SialicAcid	C11H19NO9	309.106	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR042	SialicAcid	C11H19NO9	309.106	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR042	SialicAcid	C11H19NO9	309.106	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR042	SialicAcid	C11H19NO9	309.106	Wishlist	Inhousejuil11	NA	NA
+C00270	N-Acetylneuraminate	C11H19NO9	309.106	NA	KEGG	NA	NA
+C00271	Single-stranded DNA	C10H19O14P3R2	309.106	NA	KEGG	NA	NA
+C03525	O-Acetylneuraminic acid	C11H19NO9	309.106	NA	KEGG	NA	NA
+C03526	O-Sinapoylglucarolactone	C11H19NO9	309.106	NA	KEGG	NA	NA
+MJ029762	9-Arabinofuranosyladenine; ?-D-form, 3'-Ac 	C12H15N5O5	309.107318	NA	MeJP	NA	NA
+MJ029763	Sangivamycic acid; Amide 	C12H15N5O5	309.107318	NA	MeJP	NA	NA
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR227	Acide sialique F1	NA	309.108475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR227	Acide sialique F1	NA	309.108475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR227	Acide sialique F1	NA	309.108475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR227	Acide sialique F1	NA	309.108475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR227	Sialic acid 	C11H19NO10	309.108475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ029764	Phosphinothricylalanylglycine 	C10H20N3O6P	309.108971	NA	MeJP	NA	NA
+MJ029765	Phosphinothricylglycylalanine 	C10H20N3O6P	309.108971	NA	MeJP	NA	NA
+MJ029766	8-Ethynyl-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid; Et ester 	C17H15N3O3	309.111341	NA	MeJP	NA	NA
+C15360	Evadol hydrochloride	C16H19NO3	309.1132	NA	KEGG	NA	NA
+MJ029767	N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]methanesulfonamide 	C14H19N3O3S	309.114712	NA	MeJP	NA	NA
+MJ029768	Ketotifen 	C19H19NOS	309.118734	NA	MeJP	NA	NA
+MJ029769	Acremoauxin B 	C15H19NO6	309.121237	NA	MeJP	NA	NA
+MJ029770	Esculamine 	C15H19NO6	309.121237	NA	MeJP	NA	NA
+MJ029771	Mescaline succinimide; 3-Hydroxy 	C15H19NO6	309.121237	NA	MeJP	NA	NA
+MJ029772	Sporovexin A; 2-Carboxyethylamide 	C15H19NO6	309.121237	NA	MeJP	NA	NA
+MJ029773	Trizoxime 	C16H15N5O2	309.122574	NA	MeJP	NA	NA
+MJ029774	Vibunazole 	C15H20ClN3O2	309.124404	NA	MeJP	NA	NA
+MJ029775	Zacopride 	C15H20ClN3O2	309.124404	NA	MeJP	NA	NA
+8026	synthetic peptide	PHG	309.131	antibacterial	Inhouse_peptide	NA	peptide
+PJ000248	QY 	C14H19N3O5	309.1325	NA	PeJP	NA	NA
+MJ029776	Fluoxetine 	C17H18F3NO	309.134048	NA	MeJP	NA	NA
+MJ029777	1,3-Dihydroxyacridone; O3-(3-Methyl-2-butenyl), N-Me 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029778	3,3-Diphenyl-1,4-dioxa-8-azaspiro[4,5]decan-2-one 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029779	3-Hydroxynuciferine, 6a,7-Didehydro 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029780	6,7,8,9,10,14-Hexadehydro-4,5-epoxy-3,6-dimethoxy-17-methylthebinan 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029781	Anolobine, Me ether, N-Me 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029782	Auxarconjugatin A, Dechloro 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029783	Clausine D; Carboxylic acid, Me ester 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029784	Constrictosine; 5,6-Dihydro, di-Me ether 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029785	Galipoline 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029786	Glycocitrine II 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029787	Heptaphylline; 6-Methoxy 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029788	Heptaphylline; 7-Methoxy 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029789	Hypomycine 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029790	Isopiline, Me ether, 6a,7-didehydro 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029791	Isothebaine, 6a,7-Didehydro 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029792	Koenigine 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029793	Laureline 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029794	Murrayaquinone B 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029795	Nuciferine, N-De-Me, N-formyl 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029796	Nuciferine, O2,N-Di-de-Me, N-Ac 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029797	Pachypodanthine; N-Me 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029798	Podocarpamide; Demethoxy 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029799	Pukateine, Me ether 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029800	Stephalagine 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029801	Stephanine 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029802	Stephenanthrine; 1'?-Hydroxy 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029803	Stephenanthrine; 8-Hydroxy 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029804	Stephenanthrine; N-Oxide 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029805	Zanthomamide 	C19H19NO3	309.136493	NA	MeJP	NA	NA
+MJ029806	Mecambroline, N-Me 	C19H20NO3(+)	309.136493	NA	MeJP	NA	NA
+MJ029807	Norushinsunine, N,N-Di-Me 	C19H20NO3(+)	309.136493	NA	MeJP	NA	NA
+C14316	SB 218655	C17H16FN5	309.139	NA	KEGG	NA	NA
+MJ029808	N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]leucine 	C16H23NO3S	309.139864	NA	MeJP	NA	NA
+MJ029809	1,2,5-Trideoxy-4-O-(?-D-glucopyranosyl)-1,5-imino-D-arabino-hexitol 	C12H23NO8	309.142366	NA	MeJP	NA	NA
+MJ029810	2-(Hydroxymethyl)-3,4-piperidinediol, 3-O-?-D-Glucopyranosyl 	C12H23NO8	309.142366	NA	MeJP	NA	NA
+MJ029811	2-(Hydroxymethyl)-3,4-piperidinediol, 4-O-?-D-Glucopyranosyl 	C12H23NO8	309.142366	NA	MeJP	NA	NA
+PJ000249	GPH 	C13H19N5O4	309.1437	NA	PeJP	NA	NA
+C17380	Diacetylaminoazotoluene	C18H19N3O2	309.1477	NA	KEGG	NA	NA
+MJ029812	Diacetazotol 	C18H19N3O2	309.147726	NA	MeJP	NA	NA
+MJ029813	Irampanel 	C18H19N3O2	309.147726	NA	MeJP	NA	NA
+MJ029814	Nerisopam 	C18H19N3O2	309.147726	NA	MeJP	NA	NA
+MJ029815	Metixene 	C20H23NS	309.15512	NA	MeJP	NA	NA
+7691	ACE inhibitor from wakame	KY	309.157	antioxidative	Inhouse_peptide	NA	peptide
+7697	ACE inhibitor from wakame	YK	309.157	antioxidative	Inhouse_peptide	NA	peptide
+C10304	Fulvine	C16H23NO5	309.1576	NA	KEGG	NA	NA
+MJ029816	Assamicadine 	C16H23NO5	309.157622	NA	MeJP	NA	NA
+MJ029817	Coronafacic acid, L-Threonine amide 	C16H23NO5	309.157622	NA	MeJP	NA	NA
+MJ029818	Crotaleschenine 	C16H23NO5	309.157622	NA	MeJP	NA	NA
+MJ029819	Fulvine 	C16H23NO5	309.157622	NA	MeJP	NA	NA
+MJ029820	Sinapine 	C16H24NO5(+)	309.157622	NA	MeJP	NA	NA
+MJ029821	Bazinaprine 	C17H19N5O	309.15896	NA	MeJP	NA	NA
+2934	myelopeptide	LVCYPQ	309.1625	MH2+	Inhouse_peptide	NA	peptide
+C10967	Fluperlapine	C19H20FN3	309.1641	NA	KEGG	NA	NA
+MJ029822	Fluperlapine 	C19H20FN3	309.164125	NA	MeJP	NA	NA
+MJ029823	Gevotroline 	C19H20FN3	309.164125	NA	MeJP	NA	NA
+MJ029824	Safironil 	C15H23N3O4	309.168856	NA	MeJP	NA	NA
+PJ000250	KY 	C15H23N3O4	309.1689	NA	PeJP	NA	NA
+MJ029825	4-(2-Aminoethyl)phenol; O-(3-Methyl-2-butenyl), N-benzoyl 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029826	Amolanone 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029827	Atherosperminine 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029828	Carbazoquinocin; Carbazoquinocin B 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029829	Carbazoquinocin; Carbazoquinocin C 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029830	Ciheptolane 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029831	Dioxadrol 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+MJ029832	Zanthosimuline 	C20H23NO2	309.172878	NA	MeJP	NA	NA
+3523	ACE inhibitor	LYPVK	309.1805	MH2+	Inhouse_peptide	NA	peptide
+MJ029833	Benzydamine 	C19H23N3O	309.184112	NA	MeJP	NA	NA
+MJ029834	Clofenciclan 	C18H28ClNO	309.185942	NA	MeJP	NA	NA
+CJpos0732	Octanoylcarnitine [(M+Na)]+	C15H29NNaO4	309.191075	C18rt(min)=7.86 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0733	Octanoylcarnitine isomer [(M+Na)]+	C15H29NNaO4	309.191075	C18rt(min)=7.5 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0732	Octanoylcarnitine [(M+Na)]+	C15H29NNaO4	309.191075	C18rt(min)=7.86 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0733	Octanoylcarnitine isomer [(M+Na)]+	C15H29NNaO4	309.191075	C18rt(min)=7.5 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ029835	Silabudipine 	C20H27NSi	309.191276	NA	MeJP	NA	NA
+CJpos0730	Decadienylcarnitine isomer 1 [(M+H)]+	C17H28NO4	309.193475	C18rt(min)=7.66 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0731	Decadienylcarnitine isomer 2 [(M+H)]+	C17H28NO4	309.193475	C18rt(min)=7.88 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0730	Decadienylcarnitine isomer 1 [(M+H)]+	C17H28NO4	309.193475	C18rt(min)=7.66 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0731	Decadienylcarnitine isomer 2 [(M+H)]+	C17H28NO4	309.193475	C18rt(min)=7.88 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C07915	Metipranolol	C17H27NO4	309.194	NA	KEGG	NA	NA
+C07916	Transferred to D00758	C17H27NO4	309.194	NA	KEGG	NA	NA
+C07917	Transferred to D00759	C17H27NO4	309.194	NA	KEGG	NA	NA
+C07918	Transferred to D00760	C17H27NO4	309.194	NA	KEGG	NA	NA
+MJ029836	Lanomycin 	C17H27NO4	309.194008	NA	MeJP	NA	NA
+MJ029837	Metipranolol 	C17H27NO4	309.194008	NA	MeJP	NA	NA
+MJ029838	Nadolol 	C17H27NO4	309.194008	NA	MeJP	NA	NA
+MJ029839	Nobiline; 6-Hydroxy 	C17H27NO4	309.194008	NA	MeJP	NA	NA
+MJ029840	Isoleucylamiclenomycin 	C16H27N3O3	309.205241	NA	MeJP	NA	NA
+MJ029841	Stravidin S2 	C16H27N3O3	309.205241	NA	MeJP	NA	NA
+MJ029842	2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone, N-Me 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029843	?-Methyl-?,?-diphenyl-1-piperidinepropanol 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029844	Benproperine 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029845	Difenidol 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029846	Holonamine; 11-Deoxy 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029847	Isomethadone 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029848	Malarboreine 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029849	Methadone 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029850	Pseudopteroxazole 	C21H27NO	309.209264	NA	MeJP	NA	NA
+MJ029851	Pulo'upone 	C21H27NO	309.209264	NA	MeJP	NA	NA
+C06961	Diphenidol	C21H27NO	309.2093	NA	KEGG	NA	NA
+C06962	Transferred to D00301	C21H27NO	309.2093	NA	KEGG	NA	NA
+C07163	Methadone	C21H27NO	309.2093	NA	KEGG	NA	NA
+MJ029852	2-Amino-5,13-tetradecadien-3-ol, N,O-Di-Ac 	C18H31NO3	309.230393	NA	MeJP	NA	NA
+C10608	Palustrine	C17H31N3O2	309.2416	NA	KEGG	NA	NA
+MJ029853	Palustrine 	C17H31N3O2	309.241627	NA	MeJP	NA	NA
+MJ029854	Holaromine 	C22H31N	309.245649	NA	MeJP	NA	NA
+MJ029855	Allopumiliotoxin 309D 	C19H35NO2	309.266779	NA	MeJP	NA	NA
+MJ029856	Dicycloverine 	C19H35NO2	309.266779	NA	MeJP	NA	NA
+C06951	Dicyclomine	C19H35NO2	309.2668	NA	KEGG	NA	NA
+C06952	Transferred to D00295	C19H35NO2	309.2668	NA	KEGG	NA	NA
+MJ029857	Pyrrolidine; N-Hexadecanoyl 	C20H39NO	309.303164	NA	MeJP	NA	NA
+MJ029858	2-Methyl-6-pentadecylpiperidine 	C21H43N	309.33955	NA	MeJP	NA	NA
+7870	peptide from sauce of blue mussel (Mytilus edulis)	FGHPY	309.631	MH2+	Inhouse_peptide	NA	peptide
+7556	ACE inhibitor from spinach	YPLDL	309.65495	MH2+	Inhouse_peptide	NA	peptide
+MJ029859	1,1,3-Tribromo-3-chloro-1-propene 	C3H2Br3Cl	309.739515	NA	MeJP	NA	NA
+C08136	Tricalcium phosphate	2PO4	309.7946	NA	KEGG	NA	NA
+C08137	Transferred to D00939	2PO4	309.7946	NA	KEGG	NA	NA
+C08139	Transferred to D00941	2PO4	309.7946	NA	KEGG	NA	NA
+C08140	Transferred to D00942	2PO4	309.7946	NA	KEGG	NA	NA
+MJ029860	1,4-Bis(trichloromethyl)benzene 	C8H4Cl6	309.844416	NA	MeJP	NA	NA
+MJ029861	3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1'-Me ether 	C8H8Br2O3	309.884019	NA	MeJP	NA	NA
+MJ029862	3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1-Me ether 	C8H8Br2O3	309.884019	NA	MeJP	NA	NA
+MJ029863	4,5-Dibromo-1H-pyrrole-2-carboxylic acid; (Methoxymethyl)amide 	C7H8Br2N2O2	309.895252	NA	MeJP	NA	NA
+MJ029864	Clotioxone 	C9H5Cl3N2O2S	309.913731	NA	MeJP	NA	NA
+HMDB11688	Ribose 1,5-bisphosphate	C5H12O11P2	309.985474	NA	HMDB2010	NA	NA
+MJ029865	D-Ribulose 1,5-bisphosphate 	C5H12O11P2	309.985484	NA	MeJP	NA	NA
+MetaCyc02751	ribose-1,5-bisphosphate [D-Ribose 1,5-bisphosphate;]	C5H12O11P2	309.985484	NA	metacyc	NA	NA
+MetaCyc02752	D-ribulose-1,5-bisphosphate [ribulose 1,5-bisphosphate;D-ribulose-1,5-diphosphate;D-ribulose-1,5-P2;]	C5H12O11P2	309.985484	14689-84-0	metacyc	NA	NA
+C01095	D-Ribose 5-diphosphate	C5H12O11P2	309.9855	NA	KEGG	NA	NA
+C01151	D-Ribose 1,5-bisphosphate	C5H12O11P2	309.9855	NA	KEGG	NA	NA
+C01182	D-Ribulose 1,5-bisphosphate	C5H12O11P2	309.9855	NA	KEGG	NA	NA
+MJ029866	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-Deoxy, 1-chloro, Ac 	C14H11ClO2S2	309.988898	NA	MeJP	NA	NA
+MJ029867	Dibenzyl tetrasulfide 	C14H14S4	309.997833	NA	MeJP	NA	NA
+JH188	Naringenin [M+H]+	NA	310.0244	17.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH188	Naringenin [M+H]+	NA	310.0244	17.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH188	Naringenin [M+H]+	NA	310.0244	17.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH188	Naringenin [M+H]+	NA	310.0244	17.87	Inhousejuil11	NA	NA
+C14436	Edifenphos	C14H15O2PS2	310.0251	NA	KEGG	NA	NA
+C14427	Diflubenzuron	C14H9ClF2N2O2	310.0321	NA	KEGG	NA	NA
+C03683	6-Demethylsterigmatocystin	C17H10O6	310.0477	NA	KEGG	NA	NA
+FLIA3CNS0001	Maximaisoflavone A	C17H10O6	310.04773	59092-90-9	knapsack	NA	NA
+FLIE1CNS0003	Flemichapparin C;3-Methoxy-8,9-methylenedioxycoumestan	C17H10O6	310.04773	3862-34-8	knapsack	NA	NA
+MJ029868	3',4',7,8-Tetrahydroxyisoflavone; 3',4':7,8-Bis(methylene) ether 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MJ029869	Aristololide; 9-Hydroxy 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MJ029870	Aurantricholide B 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MJ029871	Curcapital 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MJ029872	Medicagol; Me ether 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MJ029873	Sterigmatin 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MJ029874	Sterigmatocystin; O-De-Me 	C17H10O6	310.047738	NA	MeJP	NA	NA
+MetaCyc02753	sterigmatin []	C17H10O6	310.047738	NA	metacyc	NA	NA
+MetaCyc02754	6-demethylsterigmatocystin []	C17H10O6	310.047738	NA	metacyc	NA	NA
+MJ029875	Texacromil 	C14H14O6S	310.051108	NA	MeJP	NA	NA
+CJneg0513	1,7-dimethyluric acid [(M-H)+(HCOOH)+(HCOONa)]-	C9H10N4NaO7	310.053125	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0513	1,7-dimethyluric acid [(M-H)+(HCOOH)+(HCOONa)]-	C9H10N4NaO7	310.053125	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ029876	7-Chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-1(2H)-quinoxalinecarboxylic acid; 1-Methylethenyl ester 	C14H15ClN2O2S	310.054276	NA	MeJP	NA	NA
+MJ029877	10-Bromo-3-laurene-7,12-diol 	C15H19BrO2	310.056842	NA	MeJP	NA	NA
+MJ029878	Aplysin; 13-Hydroxy 	C15H19BrO2	310.056842	NA	MeJP	NA	NA
+MJ029879	Filiformin; 6-Hydroxy 	C15H19BrO2	310.056842	NA	MeJP	NA	NA
+MJ029880	Fezatione 	C17H14N2S2	310.059839	NA	MeJP	NA	NA
+MetaCyc02755	5-phosphoribosyl-4,5-aminoimidazole []	C8H15N4O7P1	310.067835	NA	metacyc	NA	NA
+MJ029881	2-Hydroxy-2-(hydroxymethyl)butanedioic acid, 1'-O-(4-Hydroxy-E-cinnamoyl) 	C14H14O8	310.068867	NA	MeJP	NA	NA
+MJ029882	2-Hydroxy-2-(hydroxymethyl)butanedioic acid, 1'-O-(4-Hydroxy-Z-cinnamoyl) 	C14H14O8	310.068867	NA	MeJP	NA	NA
+MJ029883	Aphloiol 	C14H14O8	310.068867	NA	MeJP	NA	NA
+MJ029884	Lomazarin; O6 or O7-De-Me 	C14H14O8	310.068867	NA	MeJP	NA	NA
+MJ029885	Malic acid, O-(4-Hydroxy-3-methoxycinnamoyl) 	C14H14O8	310.068867	NA	MeJP	NA	NA
+MJ029886	Sulfadimethoxine 	C12H14N4O4S	310.073575	NA	MeJP	NA	NA
+MJ029887	Sulfadoxine 	C12H14N4O4S	310.073575	NA	MeJP	NA	NA
+MJ029888	Sulfamoprine 	C12H14N4O4S	310.073575	NA	MeJP	NA	NA
+C07630	Sulfadoxine	C12H14N4O4S	310.0736	NA	KEGG	NA	NA
+MJ029889	Acromelic acid A 	C13H14N2O7	310.0801	NA	MeJP	NA	NA
+MJ029890	Acromelic acid B 	C13H14N2O7	310.0801	NA	MeJP	NA	NA
+C10059	6-Deoxyjacareubin	C18H14O5	310.0841	NA	KEGG	NA	NA
+FL3FA9NM0003	Hoslundal	C18H14O5	310.08412	135404-52-3	knapsack	NA	NA
+MJ029891	2,6,7-Trihydroxy-5H-phenanthro[4,5-bcd]pyran-5-one; Tri-Me ether 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029892	4,4'-Oxybis[3-phenyl-2-propenoic acid] 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029893	6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029894	6,11-Dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029895	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; Me ester 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029896	Forbexanthone; Demethoxy 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029897	Hoslundal 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029898	Hypericanarin 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029899	Hyperxanthone 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029900	Jacareubin; 9-Deoxy 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029901	Ligustrone A; 8,9-Dihydro 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029902	Osajaxanthone 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029903	Sarolactone 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029904	Tovoxanthone 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029905	Unonal; 7-Me ether 	C18H14O5	310.084123	NA	MeJP	NA	NA
+MJ029906	Croconazole 	C18H15ClN2O	310.08729	NA	MeJP	NA	NA
+C11096	Croconazole	C18H15ClN2O	310.0873	NA	KEGG	NA	NA
+MJ029907	Didemnoline A; Debromo, S-oxide 	C16H14N4OS	310.088831	NA	MeJP	NA	NA
+MJ029908	?-D-Glucopyranosyl(1?4)-1,5-anhydro-?-D-xylofuranose 	C11H18O10	310.089996	NA	MeJP	NA	NA
+MJ029909	Cyclopenin, 3'-Hydroxy 	C17H14N2O4	310.095356	NA	MeJP	NA	NA
+MJ029910	Antibiotic PS 8 	C14H18N2O4S	310.098727	NA	MeJP	NA	NA
+7752	ACE inhibitor from shark meat hydrolysate	EY	310.105	antioxidative	Inhouse_peptide	NA	peptide
+MJ029911	1-O-Cinnamoylglucose 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029912	2,3-Dihydro-5,8-dihydroxy-6-methoxy-2-hydroxymethyl-3-(2-hydroxypropyl)-1,4-naphthoquinone 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029913	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029914	2-Hydroxy-3,4-anhydroneomajacin 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029915	2-O-Cinnamoylglucose 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029916	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), 6-Me ether 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029917	6-O-Cinnamoylglucose; ?-D-form 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029918	Allamcidin B 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029919	Fusarubin; 4a, 10a-Dihydro, 5?-alcohol 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029920	Majucin; 4-Deoxy, 3,4-didehydro 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029921	Neoanisatin; 3-Oxo, 7-deoxy 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029922	Picrotin 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MJ029923	Tutin; 4?-Hydroxy 	C15H18O7	310.105252	NA	MeJP	NA	NA
+MetaCyc02756	trans-cinnamoyl-&beta;-D-glucoside []	C15H18O7	310.105253	NA	metacyc	NA	NA
+MetaCyc02757	1-O-trans-cinnamoyl-&beta;-D-glucopyranose [trans-cinnamoyl &beta;-D-glucoside;]	C15H18O7	310.105253	NA	metacyc	NA	NA
+C04164	trans-Cinnamoyl beta-D-glucoside	C15H18O7	310.1053	NA	KEGG	NA	NA
+C09502	Mellitoxin	C15H18O7	310.1053	NA	KEGG	NA	NA
+C09528	Picrotin	C15H18O7	310.1053	NA	KEGG	NA	NA
+MJ029924	Mabuterol 	C13H18ClF3N2O	310.105975	NA	MeJP	NA	NA
+HMDB11741	Gamma-Glutamyltyrosine	C14H18N2O6	310.116486	NA	HMDB2010	NA	NA
+MJ029925	2-Amino-1-(4-nitrophenyl)-1,3-propanediol, N-Propanoyl, O3-Ac 	C14H18N2O6	310.116486	NA	MeJP	NA	NA
+MJ029926	N-?-Glutamyltyrosine; L-L-form 	C14H18N2O6	310.116486	NA	MeJP	NA	NA
+MJ029927	Pukeleimide, 9,10-Dihydro, 10-methoxy 	C14H18N2O6	310.116486	NA	MeJP	NA	NA
+PJ000251	EY 	C14H18N2O6	310.1165	NA	PeJP	NA	NA
+MJ029928	Terfluranol 	C17H17F3O2	310.118064	NA	MeJP	NA	NA
+MJ029929	Lintopride 	C14H19ClN4O2	310.119653	NA	MeJP	NA	NA
+C15051	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one	C19H18O4	310.1205	NA	KEGG	NA	NA
+FL1B19NF0002	Castillene B	C19H18O4	310.1205	126585-61-3	knapsack	NA	NA
+FL1DHYNF0001	Ovalitenin B	C19H18O4	310.1205	64280-21-3	knapsack	NA	NA
+MJ029930	2,11-Dihydroxy-19,20-dinor-1,3,5(10),7,9(11),13-abietahexaene-6,12-dione; Me ether 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029931	2-(4-Hydroxyphenyl)-5-(1-propenyl)benzofuran; 2'-Hydroxy, 7-methoxy, 4'-Me ether 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029932	3,4-Dihydro-3,4-dimethoxy-2-phenyl-2H-furo[2,3-h]-1-benzopyran 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029933	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-cinnamoyl 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029934	6,7,8,9-Tetrahydro-1,6,6-trimethylfuro[3,2-c]naphth[2,1-e]oxepine-10,12-dione 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029935	6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; 6-Me ether, 3'-methoxy 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029936	6-Hydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one; 6-Me ether, 7-methoxy 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029937	6-Hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; Di-Me ether 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029938	7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran, 5-Hydroxy 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029939	Alnusone, 10,11-Epoxide 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029940	Anolignan A 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029941	Castillene B 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029942	Curcumin; 1,2-Dihydro, bis-demethoxy 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029943	Dalrubone 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029944	Emorydone 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029945	Emycin E 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029946	Emycin F 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029947	Ephemeranthone 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029948	Eupomatenoid 11 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029949	Fruticulin A; O-De-Me 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029950	Harringtonolide 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029951	Hortiline 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029952	Hortiolone 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029953	Isocryptotanshinone; 1-Oxo 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029954	Isotanshinone IIB 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029955	Liliflol A 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029956	Moracin C 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029957	Moracin N 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029958	Ovalitenin B 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029959	Przewaquinone A 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029960	Tanshinone II; 1-Hydroxy 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029961	Tanshinone II; 3?-Hydroxy 	C19H18O4	310.120509	NA	MeJP	NA	NA
+MJ029962	Tanshinone IIB 	C19H18O4	310.120509	NA	MeJP	NA	NA
+C05113	Porphyrin	C20H14N4	310.1218	NA	KEGG	NA	NA
+C05114	Mucopolysaccharide	C20H14N4	310.1218	NA	KEGG	NA	NA
+C17016	Nemertelline	C20H14N4	310.1218	NA	KEGG	NA	NA
+HMDB00839	Pentaporphyrin I	C20H14N4	310.121857	NA	HMDB2010	NA	NA
+HMDB00839	Pentaporphyrin I	C20H14N4	310.12186	http://www.hmdb.ca/metabolites/HMDB00839	HMDB	NA	NA
+HMDB00839	Pentaporphyrin I	C20H14N4	310.12186	HMDB00839	PFEM_hmdb_metabocards_official	NA	NA
+MJ029963	3-(2-Chloro-11H-dibenz[b,e]azepin-11-ylidene)-N,N-dimethyl-1-propanamine 	C19H19ClN2	310.123676	NA	MeJP	NA	NA
+MJ029964	2-O-?-L-Fucopyranosyl-L-fucose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029965	2-O-?-L-Rhamnopyranosyl-L-rhamnose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029966	3-O-?-L-Fucopyranosyl-L-fucose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029967	3-O-?-L-Rhamnopyranosyl-L-rhamnose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029968	4-O-?-L-Rhamnopyranosyl-L-rhamnose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029969	4-O-?-L-Fucopyranosyl-L-fucose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029970	4-O-?-L-Rhamnopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029971	4-O-?-L-Rhamnopyranosyl-L-rhamnose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029972	6-Deoxy-2-O-?-L-rhamnopyranosyl-L-talose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029973	6-Deoxy-4-O-(6-Deoxy-?-D-glucopyranosyl)-D-glucose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029974	Digilanidobiose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029975	Phyllanthose 	C12H22O9	310.126382	NA	MeJP	NA	NA
+MJ029976	Resorcinomycin B 	C13H18N4O5	310.127719	NA	MeJP	NA	NA
+MJ029977	1-Methyl-3-(2-phenylethyl)-2,4(1H,3H)-quinazolinedione; 4'-Methoxy 	C18H18N2O3	310.131742	NA	MeJP	NA	NA
+MJ029978	5-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-propanoic acid 	C18H18N2O3	310.131742	NA	MeJP	NA	NA
+MJ029979	Cyclopeptine, 4'-Methoxy 	C18H18N2O3	310.131742	NA	MeJP	NA	NA
+MJ029980	Nuciferine, O2,N-Di-de-Me, N-carbamoyl 	C18H18N2O3	310.131742	NA	MeJP	NA	NA
+MJ029981	Heptolamide 	C15H22N2O3S	310.135113	NA	MeJP	NA	NA
+C16692	Mannopine	C11H22N2O8	310.1376	NA	KEGG	NA	NA
+C16693	Plastoquinol	C8H10O2	310.1376	NA	KEGG	NA	NA
+MJ029982	Mannopinic acid; 4'-Amide 	C11H22N2O8	310.137615	NA	MeJP	NA	NA
+MJ029983	N'-[6,9-Dihydro-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide 	C12H18N6O4	310.138953	NA	MeJP	NA	NA
+MJ029984	4-Hydroxycinnamyl alcohol 4-D-glucoside 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029985	2,3-Epoxy-1,4,8-trihydroxy-7(11)-eudesmen-12,8-olide, 8-Me ether 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029986	2-Decene-4,6-diyn-1-ol, O-?-D-Glucopyranoside 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029987	3-(2,4,5-Triethoxybenzoyl)propanoic acid 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029988	6-Deoxyaltrose; ?-D-Pyranose-form, Me glycoside, 2,3-di-Me, benzoyl 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029989	8-Decene-4,6-diyn-1-ol, O-?-D-Glucopyranoside 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029990	Fusarentin; 6,7-Di-Me ether 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029991	Fusarentin; 6,8-Di-Me ether 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029992	Pectinolide A 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029993	Pyrenophorol; 5-Ketone 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029994	p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 9-Tigloyl, 2-Me ether 	C16H22O6	310.141638	NA	MeJP	NA	NA
+MJ029995	Aplysinopsin; N1-Propanoyl 	C17H18N4O2	310.142975	NA	MeJP	NA	NA
+MJ029996	Alloclamide 	C16H23ClN2O2	310.144805	NA	MeJP	NA	NA
+MJ029997	Bifonazole 	C22H18N2	310.146998	NA	MeJP	NA	NA
+C16608	Demethylcitalopram	C19H19FN2O	310.1481	NA	KEGG	NA	NA
+MJ029998	Dimelazine 	C19H22N2S	310.150369	NA	MeJP	NA	NA
+MJ029999	Pecazine 	C19H22N2S	310.150369	NA	MeJP	NA	NA
+MJ030000	3-(2-Pyrrolidinyl)pyridine, N-(?-D-Fructopyranos-1-yl) 	C15H22N2O5	310.152871	NA	MeJP	NA	NA
+MJ030001	1,14-Diisothiocyanato-1,13-tetradecadiene, 1,2-Dihydro 	C16H26N2S2	310.15374	NA	MeJP	NA	NA
+FL1D19NI0001	Dihydrocordoin	C20H22O3	310.15689	54647-07-3	knapsack	NA	NA
+MJ030002	1,2,3,3a,7,7a-Hexahydro-3-(3-hydroxy-4-methoxybenzyl)-7-methylene-1-vinyl-4H-inden-4-one 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030003	1-(2,4-Dihydroxyphenyl)-3-phenyl-1-propanone; 4'-O-(3-Methyl-2-butenyl) 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030004	1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone; 1',2'-Didehydro 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030005	17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030006	19-Ethyl-2,6-epoxy-1-oxa-2,5,12,15,18-cyclononadecapentaen-9-yn-4-one 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030007	2-(3,7-Dimethyl-2,6-octadienyl)-3-hydroxy-1,4-naphthoquinone 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030008	3,4',5-Trihydroxy-2-prenylstilbene; 5-Me ether 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030009	3-Ethenyl-9-methyl-3-(4-methyl-3-pentenyl)-4H-furo[3,2-c][1]benzopyran-4-one 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030010	3-Ethyl-2,20-dioxabicyclo[14.3.1]eicosa-3,6,9,16,19-pentaen-12-yn-18-one 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030011	4',7-Dihydroxy-8-prenylflavan 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030012	5-Hydroxy-4,6,8(13),11,14-amphilectapentaene-9,10-dione 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030013	7,16:7,20-Diepoxy-1,8,11,13-cleistanthatetraen-3-one 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030014	9,10-Dihydro-2,5,7-trihydroxy-1-prenylphenanthrene; 7-Me ether 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030015	Aegyptinone A 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030016	Aethiopinone; 1-Oxo 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030017	Avobenzone 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030018	Erycristanol A 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030019	Eryvariestyrene; ?3''-Isomer, 2''-hydroxy 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030020	Myricarborin 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030021	Nafenopin 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030022	Obtusifolin 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030023	Preethuliacoumarin 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030024	Pygmaeocin C; 11,12-Quinone 	C20H22O3	310.156894	NA	MeJP	NA	NA
+MJ030025	Sapriparaquinone; 2,3,4,18-Tetradehydro 	C20H22O3	310.156894	NA	MeJP	NA	NA
+C11371	Nafenopin	C20H22O3	310.1569	NA	KEGG	NA	NA
+C15054	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol	C20H22O3	310.1569	NA	KEGG	NA	NA
+C15060	7-Methoxy-2,2,4-trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran	C20H22O3	310.1569	NA	KEGG	NA	NA
+C00933	Sinapine	C16H24NO5	310.1654	NA	KEGG	NA	NA
+C00934	Sugar phosphate	C16H24NO5	310.1654	NA	KEGG	NA	NA
+MetaCyc02758	sinapoylcholine [sinapine;]	C16H24N1O5	310.165448	18696-26-9	metacyc	NA	NA
+MetaCyc02759	O-sinapoylcholine [sinapoylcholine;sinapine;]	C16H24N1O5	310.165448	NA	metacyc	NA	NA
+C06530	Cupreine	C19H22N2O2	310.1681	NA	KEGG	NA	NA
+C09239	Sarpagine	C19H22N2O2	310.1681	NA	KEGG	NA	NA
+MJ030026	Accedine; 16-Epimer, N-de-Me 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030027	Accedine; N-De-Me 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030028	Caracurine VII 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030029	Cupreine 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030030	Eburnamine, 19-Oxo 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030031	Eburnamonine, N4-Oxide 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030032	Humantenirine; Bis(demethoxy) 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030033	Hydroxindasol 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030034	Methuenine; 16-Epimer, N-oxide 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030035	Methuenine; N-Oxide 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030036	Peraksine 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030037	Sarpagine 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030038	Silicine; 16-Epimer, 6-oxo 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030039	Silicine; 6-Oxo 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030040	Tacamonine; 17?-Hydroxy 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030041	Terengganensine B 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030042	Tetrahydroakagerine; 1,2,3,4-Tetradehydro, N-de-Me 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030043	Tetraphyllicine; N-De-Me, 10-Hydroxy 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030044	Tombozine; 16-Epimer, 6?-hydroxy 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MJ030045	Trinervine 	C19H22N2O2	310.168127	NA	MeJP	NA	NA
+MetaCyc02760	sarpagine []	C19H22N2O2	310.168128	NA	metacyc	NA	NA
+C09622	Botrydial	C17H26O5	310.178	NA	KEGG	NA	NA
+MJ030046	1,3,5-Bisabolatriene-1,7,12,15-tetrol; 12-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030047	1,3,5-Bisabolatriene-1,7,12,15-tetrol; 15-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030048	1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid, 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030049	1-(2,5-Dihydroxyphenyl)-1,2-propanediol, 1-Et, 5'-Me ether, 2'-O-(2-methylbutanoyl) 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030050	2,4-Dihydroxy-12,8-pseudoguaianolide, 2-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030051	3,4-Dihydroxy-11(13)-eudesmen-12-oic acid, 3-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030052	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6,8-Di-Me ether 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030053	3,8,14-Trihydroxy-6-lactaren-5,14-olide, 14-Ketone, 5?-alcohol, 3-Et ether 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030054	3,8,14-Trihydroxy-6-lactaren-5,14-olide, 3-Et ether 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030055	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 15-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030056	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030057	6,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 6,8-Di-Me ether 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030058	6-(4,6-Decadienyl)-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030059	9(12)-Capnellene-2,5,8,10-tetrol, 8-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030060	9(12)-Capnellene-3,8,10,14-tetrol, 3-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030061	9(12)-Capnellene-3,8,10,14-tetrol, 8-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030062	Albocycline; 18-Hydroxy, O-de-Me 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030063	Botryaloic acid; 15-Aldehyde, 1,8,9-triepimer, 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030064	Botryaloic acid; 15-Aldehyde, 1-epimer, 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030065	Botryaloic acid; 15-Aldehyde, 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030066	Botryaloic acid; 15-Aldehyde, 8,9-diepimer, 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030067	Cytosporin C 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030068	Deacetyldihydrobotrydial; 10-Ketone(lactone), 4-Ac 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030069	Hymenoxon; 3,4-Di-Me ether 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030070	Hymenoxon; 4-Et ether 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030071	Teucrein; O1-De-Ac, O1-(3-methylbutanoyl) 	C17H26O5	310.178023	NA	MeJP	NA	NA
+MJ030072	3,4,13-Trihydroxylupanine, O13-Me 	C16H26N2O4	310.189257	NA	MeJP	NA	NA
+MJ030073	Cetamolol 	C16H26N2O4	310.189257	NA	MeJP	NA	NA
+MJ030074	Pamatolol 	C16H26N2O4	310.189257	NA	MeJP	NA	NA
+MJ030075	Termisine, 14-Aldehyde, 10?-hydroxy 	C16H26N2O4	310.189257	NA	MeJP	NA	NA
+MJ030076	7-[7-(3-Furanyl)-4-methyl-1,4-heptadienyl]-4,5,6,7-tetrahydro-7-methylbenzofuran 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030077	Altrenogest 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030078	Cannabidinodiol 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030079	Cannabifuran 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030080	Cannabinol 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030081	Falconensone A 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030082	Frondosin C 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030083	Gestodene 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030084	Longithorol E 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030085	Longithorone B 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030086	Longithorone D 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030087	Mestranol 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030088	Plomestane 	C21H26O2	310.19328	NA	MeJP	NA	NA
+MJ030089	Prionitin 	C21H26O2	310.19328	NA	MeJP	NA	NA
+C07580	Cannabinol	C21H26O2	310.1933	NA	KEGG	NA	NA
+C07618	Mestranol	C21H26O2	310.1933	NA	KEGG	NA	NA
+CJpos0736	Octanoylcarnitine [(M+Na)]+ (13C)	C1413CH29NNaO4	310.194375	C18rt(min)=7.86 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0736	Octanoylcarnitine [(M+Na)]+ (13C)	C1413CH29NNaO4	310.194375	C18rt(min)=7.86 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0734	Decadienylcarnitine isomer 1 [(M+H)]+ (13C)	C1613CH28NO4	310.196775	C18rt(min)=7.66 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0735	Decadienylcarnitine isomer 2 [(M+H)]+ (13C)	C1613CH28NO4	310.196775	C18rt(min)=7.88 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0734	Decadienylcarnitine isomer 1 [(M+H)]+ (13C)	C1613CH28NO4	310.196775	C18rt(min)=7.66 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0735	Decadienylcarnitine isomer 2 [(M+H)]+ (13C)	C1613CH28NO4	310.196775	C18rt(min)=7.88 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C09214	Ibogaine	C20H26N2O	310.2045	NA	KEGG	NA	NA
+C09274	Tabernanthine	C20H26N2O	310.2045	NA	KEGG	NA	NA
+C10130	Astrocasine	C20H26N2O	310.2045	NA	KEGG	NA	NA
+MJ030090	Anilopam 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030091	Aristolarine; Deoxy 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030092	Aristolasicone; 15-Alcohol 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030093	Aristoteline, 17-Hydroxy 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030094	Aspidofractinine, 12-Methoxy 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030095	Astrocasine 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030096	Eburnamine, 16-Epimer, Me ether 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030097	Eburnamine, Me ether 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030098	Hobartine, 13-Hydroxy 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030099	Ibogaine 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030100	Ibogamine, 11-Methoxy 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030101	Ivoqualine 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030102	Mehranine 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030103	Nitraraine; 16?,17-Dihydro 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030104	Serratoline 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030105	Tasmanine 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030106	Voaphylline, N-Me 	C20H26N2O	310.204513	NA	MeJP	NA	NA
+MJ030107	Antirhine; natural-form, N?-Me 	C20H27N2O(+)	310.204513	NA	MeJP	NA	NA
+MJ030108	Melinonine B 	C20H27N2O(+)	310.204513	NA	MeJP	NA	NA
+MJ030109	Toxiferine III 	C20H27N2O(+)	310.204513	NA	MeJP	NA	NA
+MJ030110	Yohimbol; Nb-Me 	C20H27N2O(+)	310.204513	NA	MeJP	NA	NA
+C04785	13(S)-HPOT	C18H30O4	310.2144	NA	KEGG	NA	NA
+C07357	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid	C18H30O4	310.2144	NA	KEGG	NA	NA
+C15753	Dihydroalbocycline	C18H30O4	310.2144	NA	KEGG	NA	NA
+C16321	9(S)-HPOT	C18H30O4	310.2144	NA	KEGG	NA	NA
+C16341	2(R)-HPOT	C18H30O4	310.2144	NA	KEGG	NA	NA
+MJ030111	10,11-Dihydroxy-6,8,12-octadecatrienoic acid 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030112	12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030113	12-Nor-8,11-drimanediol, Di-Ac 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030114	2,6,10-Farnesatrien-1-oic acid; 2,3-Dihydroxypropyl ester 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030115	3-(11-Dodecenylidene)dihydro-4,5-dihydroxy-5-methyl-2(3H)-furanone, 5-Me ether 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030116	6-Geranyl-4-hydroxy-3-(2-hydroxypropyl)-2-pyrone 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030117	7,8-Dihydroxy-14,15-dinor-11-labden-13-one, 6?-Hydroxy 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030118	Ecklonialactone C; 6,7-Dihydro 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030119	Haterumadioxin A 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030120	Lachnelluloic acid 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030121	Pironetin; O-De-Me 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MJ030122	Secoisoobtusilactone 	C18H30O4	310.214409	NA	MeJP	NA	NA
+MetaCyc02761	(9Z,11E,14Z)-(13S)-hydroperoxyoctadeca-(9,11,14)-trienoate []	C18H30O4	310.214409	NA	metacyc	NA	NA
+MetaCyc02762	13(S)-hydroperoxylinolenate [13(S)-hydroperoxylinolenic acid;hydroperoxylinolenic acid;13S-hydroperoxy-9(Z),11(E),15(Z)-octadecatrienoic acid;]	C18H30O4	310.214409	NA	metacyc	NA	NA
+HMDB13623	12(13)Ep-9-KODE	C18H30O4	310.214417	NA	HMDB2010	NA	NA
+MJ030123	3-(10-Phenyldecyl)phenol 	C22H30O	310.229665	NA	MeJP	NA	NA
+MJ030124	Desogestrel 	C22H30O	310.229665	NA	MeJP	NA	NA
+MJ030125	Tanzanene 	C22H30O	310.229665	NA	MeJP	NA	NA
+MJ030126	Uvarisesquiterpene B 	C22H30O	310.229665	NA	MeJP	NA	NA
+MetaCyc02763	14'-apo-&beta;-carotenal [5,9-dimethyl-11-[(2,6,6-trimethyl-1-cyclohexenyl)]undeca-2,4,6, 8,10-pentaenal;]	C22H30O1	310.229666	NA	metacyc	NA	NA
+C06734	14'-apo-beta-Carotenal	C22H30O	310.2297	NA	KEGG	NA	NA
+C07629	Desogestrel	C22H30O	310.2297	NA	KEGG	NA	NA
+MJ030127	Flustramine E; N8-(3-Methyl-2-butenyl), debromo 	C21H30N2	310.240898	NA	MeJP	NA	NA
+MJ030128	2,5-Epoxy-6,10,14-trimethyl-9,13-pentadecadiene-2,6-diol; 2-Me ether 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030129	2-Hydroxy-2,4-dimethyl-5-(1,3,5,7-tetramethylnonyl)-3(2H)-furanone 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030130	2-Hydroxysterculic acid 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030131	7-Oxo-11-octadecenoic acid, Me ester 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030132	9-Methylene-8-oxoheptadecanoic acid; Me ester 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030133	Dihydro-4-hydroxy-5-methyl-3-tetradecylidene-2(3H)-furanone 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030134	Majoranolide 	C19H34O3	310.250794	NA	MeJP	NA	NA
+MJ030135	Methoprene, ANSI 	C19H34O3	310.250794	NA	MeJP	NA	NA
+C14308	Methoprene	C19H34O3	310.2508	NA	KEGG	NA	NA
+MJ030136	Des-A-26-nor-5,7,9-lupatriene 	C23H34	310.266051	NA	MeJP	NA	NA
+HMDB02231	Eicosenoic acid	C20H38O2	310.28717	http://www.hmdb.ca/metabolites/HMDB02231	HMDB	NA	NA
+HMDB02231	Eicosenoic acid	C20H38O2	310.28717	HMDB02231	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02231	Eicosenoic acid	C20H38O2	310.28717	NA	HMDB2010	NA	NA
+MJ030137	11-Eicosenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030138	11-Octadecen-1-ol, Ac 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030139	12-Eicosenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030140	13-Cycloheptyltridecanoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030141	13-Eicosenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030142	13-Octadecenoic acid, Et ester 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030143	15-Eicosenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030144	16-Methyl-9-nonadecenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030145	20-Hydroxyeicosanoic acid; Lactone 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030146	4,6-Eicosanedione 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030147	5,7-Eicosanedione 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030148	5-Eicosenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030149	6,8-Eicosanedione 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030150	7-Hexadecen-1-ol, Butanoyl 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030151	8,15-Labdanediol 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030152	9-Eicosenoic acid 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030153	9-Octadecenoic acid, Et ester 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MJ030154	Siphonarienolone 	C20H38O2	310.28718	NA	MeJP	NA	NA
+MetaCyc02764	phytanate []	C20H38O2	310.28718	NA	metacyc	NA	NA
+C02064	Prostanoic acid	C20H38O2	310.2872	NA	KEGG	NA	NA
+C02065	Protein alanine	C4H6N2O2R2	310.2872	NA	KEGG	NA	NA
+C16526	Icosenoic acid	C20H38O2	310.2872	NA	KEGG	NA	NA
+MJ030155	5-(12-Aminotridecyl)hexahydropyrrolo[2,1-b]oxazole 	C19H38N2O	310.298413	NA	MeJP	NA	NA
+MJ030156	2-Methylheneicosane 	C22H46	310.359951	NA	MeJP	NA	NA
+MJ030157	Docosane 	C22H46	310.359951	NA	MeJP	NA	NA
+2861	fragment of human as1-casein	YVPFP	310.6515	MH2+	Inhouse_peptide	NA	peptide
+MJ030158	Lissoclinotoxin A; O-De-Me 	C8H9NO2S5	310.923681	NA	MeJP	NA	NA
+MJ030159	Phenarsone sulfoxylate 	C7H10AsNO6S	310.944479	NA	MeJP	NA	NA
+MJ030160	Bromosulbactam 	C8H10BrNO5S	310.946305	NA	MeJP	NA	NA
+MJ030161	Brofezil 	C12H10BrNO2S	310.961561	NA	MeJP	NA	NA
+MJ030162	Lodoxamide 	C11H6ClN3O6	310.994512	NA	MeJP	NA	NA
+C11100	Flurochloridone	C12H10Cl2F3NO	311.0092	NA	KEGG	NA	NA
+MJ030163	8-(Trifluoromethyl)-10H-phenothiazine-1-carboxylic acid 	C14H8F3NO2S	311.022783	NA	MeJP	NA	NA
+CJneg0514	Indoleacetic acid [(M-H)+2(HCOONa)]-	C12H10NNa2O6	311.038725	C18rt(min)=7.36 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0514	Indoleacetic acid [(M-H)+2(HCOONa)]-	C12H10NNa2O6	311.038725	C18rt(min)=7.36 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ030164	Diflumidone 	C14H11F2NO3S	311.04277	NA	MeJP	NA	NA
+MJ030165	3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C16H9NO6	311.042987	NA	MeJP	NA	NA
+PJ000252	SCC 	C9H17N3O5S2	311.061	NA	PeJP	NA	NA
+MJ030166	Aristolactam C II; 9-Hydroxy, O2-de-Me 	C17H13NO5	311.079372	NA	MeJP	NA	NA
+MJ030167	Furoparadine 	C17H13NO5	311.079372	NA	MeJP	NA	NA
+MJ030168	4-Hydroxybenzyl isothiocyanate; O-?-L-Rhamnopyranoside 	C14H17NO5S	311.082743	NA	MeJP	NA	NA
+MJ030169	Alatrioprilat 	C14H17NO5S	311.082743	NA	MeJP	NA	NA
+MJ030170	Mitoclomine 	C16H19Cl2NO	311.084369	NA	MeJP	NA	NA
+MJ030171	Ecomustine 	C10H18ClN3O6	311.088413	NA	MeJP	NA	NA
+C14568	Bromobutide	C15H22BrNO	311.0885	NA	KEGG	NA	NA
+MJ030172	Cassiadinine 	C16H13N3O4	311.090605	NA	MeJP	NA	NA
+MJ030173	Nitraquazone 	C16H13N3O4	311.090605	NA	MeJP	NA	NA
+MJ030174	Dipyrone 	C13H17N3O4S	311.093976	NA	MeJP	NA	NA
+C16610	Citalopram propionic acid	C18H14FNO3	311.0958	NA	KEGG	NA	NA
+C01855	Taxiphyllin	C14H17NO7	311.1005	NA	KEGG	NA	NA
+C05143	Dhurrin	C14H17NO7	311.1005	NA	KEGG	NA	NA
+C05144	(beta-D-Mannuronate)n	C14H17NO7	311.1005	NA	KEGG	NA	NA
+C08330	p-Glucosyloxymandelonitrile	C14H17NO7	311.1005	NA	KEGG	NA	NA
+C08345	Zierin	C14H17NO7	311.1005	NA	KEGG	NA	NA
+MJ030175	Dhurrin 	C14H17NO7	311.100501	NA	MeJP	NA	NA
+MJ030176	(2,4-Dihydroxyphenyl)acetic acid; Nitrile, 2-O-?-D-glucopyranoside 	C14H17NO7	311.100501	NA	MeJP	NA	NA
+MJ030177	2-(Glucopyranosyloxy)-2-(4-hydroxyphenyl)acetonitrile 	C14H17NO7	311.100501	NA	MeJP	NA	NA
+MJ030178	2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-?-D-glucopyranoside 	C14H17NO7	311.100501	NA	MeJP	NA	NA
+MJ030179	2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, Nitrile, 4-O-?-D-glucopyranoside 	C14H17NO7	311.100501	NA	MeJP	NA	NA
+MJ030180	4-Amino-2,3-dihydroxy-2-methylbutanoic acid, N-(3,4-Dihydroxycinnamoyl)(E-) 	C14H17NO7	311.100501	NA	MeJP	NA	NA
+MetaCyc02765	taxiphyllin []	C14H17N1O7	311.100502	21401-21-8	metacyc	NA	NA
+MetaCyc02766	dhurrin [(S)-4-hydroxymandelonitrile-&beta;-D-glucoside;&beta;-D-glucopyranosyloxy-(S)-p-hydroxymandelonitrile;p-hydroxy-S-mandelonitrile-&beta;-D-glucopyranoside;]	C14H17N1O7	311.100502	NA	metacyc	NA	NA
+MetaCyc02767	5'-ethylthioadenosine []	C12H17N5O3S1	311.10521	NA	metacyc	NA	NA
+MJ030181	1-(1H-Indole-3-carbonyl)-?-carboline 	C20H13N3O	311.105862	NA	MeJP	NA	NA
+MJ030182	5-Cyano-6-methoxyindolo[2,3-a]carbazole 	C20H13N3O	311.105862	NA	MeJP	NA	NA
+MJ030183	Antibiotic K 252c 	C20H13N3O	311.105862	NA	MeJP	NA	NA
+MJ030184	Proviolacein; 5-Deoxy 	C20H13N3O	311.105862	NA	MeJP	NA	NA
+MJ030185	Clopipazan 	C19H18ClNO	311.107691	NA	MeJP	NA	NA
+MJ030186	Phytophthoradiene 	C13H17N3O6	311.111735	NA	MeJP	NA	NA
+MJ030187	Aminopteroic acid 	C14H13N7O2	311.113072	NA	MeJP	NA	NA
+MJ030188	1,2,3-Trihydroxy-5-oxonoraporphine, 1,2-Di-Me ether 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030189	1-(4-Methoxybenzoyl)-6,7-methylenedioxyisoquinoline; 1,2-Dihydro, ?-alcohol 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030190	5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030191	Acronydine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030192	Actinodaphnine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030193	Amurine, N-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030194	Annocherine A; ?-Me ether 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030195	Bulbocapnine, N-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030196	Carbonarin E 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030197	Clausevatine E; 1'-Deoxy 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030198	Clausine W; 4'-Deoxy 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030199	Crebanine, O8,N-Di-de-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030200	Cularicine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030201	Discoguattine, O11-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030202	Discoguattine, O9-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030203	Discoguattine, O11-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030204	Domesticine, N-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030205	Elmerrillicine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030206	Erythraline, 11-Oxo 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030207	Erythraline, 8-Oxo 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030208	Furoclausine B 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030209	Guatterine; 7-Epimer, N-de-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030210	Heptazolicine; 2-Hydroxy 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030211	Isodomesticine, N-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030212	Laetine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030213	Litseferine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030214	Longifolonine; 4'-Me ether 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030215	Nandigerine 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030216	Norushinsunine, N-Me, N-oxide(?-) 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030217	Oliveridine, 7-Epimer, N-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030218	Oliveridine, N-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030219	Oliveridine, O-De-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030220	Oliveroline, ?-N-Oxide 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030221	Papaveroline; 3',6-Di-Me ether 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030222	Papaveroline; 6,7-Di-Me ether 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030223	Pukateine, 7S-Hydroxy 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030224	Pukateine, ?-N-Oxide 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030225	Stephadiolamine; 4,7-Diepimer, O7-Me, N-de-Me 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+MJ030226	Stephaoxocanine; 3,4,14,15-Tetradehydro 	C18H17NO4	311.115758	NA	MeJP	NA	NA
+C09322	Actinodaphnine	C18H17NO4	311.1158	NA	KEGG	NA	NA
+C09398	Cularicine	C18H17NO4	311.1158	NA	KEGG	NA	NA
+C10629	Acronidine	C18H17NO4	311.1158	NA	KEGG	NA	NA
+CJpos0737	Dimethylguanosine [(M+H)]+	C12H18N5O5	311.122375	C18rt(min)=4.71 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0737	Dimethylguanosine [(M+H)]+	C12H18N5O5	311.122375	C18rt(min)=4.71 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB01961	1,7-Dimethylguanosine	C12H17N5O5	311.122955	NA	HMDB2010	NA	NA
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.122955	NA	HMDB2010	NA	NA
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB04824	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB04824	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB04824	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB04824	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01961	1,7-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB01961	HMDB	NA	NA
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB04824	HMDB	NA	NA
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	http://www.hmdb.ca/metabolites/HMDB04824	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01961	1,7-Dimethylguanosine	C12H17N5O5	311.12296	HMDB01961	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04824	N2,N2-Dimethylguanosine	C12H17N5O5	311.12296	HMDB04824	PFEM_hmdb_metabocards_official	NA	NA
+MJ030227	Adenine; 9H-form, 6N-Me, 9-O-?-D-glucopyranosyl 	C12H17N5O5	311.122968	NA	MeJP	NA	NA
+MJ030228	Guanosine; N2,N2-Di-Me 	C12H17N5O5	311.122968	NA	MeJP	NA	NA
+MJ030229	Lathyrine, N?-Glutamyl 	C12H17N5O5	311.122968	NA	MeJP	NA	NA
+MJ030230	N6-(2-Hydroxyethyl)adenosine 	C12H17N5O5	311.122968	NA	MeJP	NA	NA
+CJneg0515	Dimethylguanosine [(M-H)]-	C12H16N5O5	311.123525	C18rt(min)=4.71 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0515	Dimethylguanosine [(M-H)]-	C12H16N5O5	311.123525	C18rt(min)=4.71 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ030231	Anhydromazethramycin 	C17H17N3O3	311.126991	NA	MeJP	NA	NA
+MJ030232	Dehydroisolongistrobine 	C17H17N3O3	311.126991	NA	MeJP	NA	NA
+C05076	Imazaquin	C17H17N3O3	311.127	NA	KEGG	NA	NA
+MJ030233	Metahexamide 	C14H21N3O3S	311.130362	NA	MeJP	NA	NA
+MJ030234	Tolazamide 	C14H21N3O3S	311.130362	NA	MeJP	NA	NA
+C16611	Citalopram alcohol	C19H18FNO2	311.1322	NA	KEGG	NA	NA
+MJ030235	3,3',3''-[Nitrilotris(methylene)]tris[dihydro-2(3H)furanone] 	C15H21NO6	311.136887	NA	MeJP	NA	NA
+MJ030236	Domoic acid 	C15H21NO6	311.136887	NA	MeJP	NA	NA
+MJ030237	Hackelidine 	C15H21NO6	311.136887	NA	MeJP	NA	NA
+MJ030238	Isodomoic acid A 	C15H21NO6	311.136887	NA	MeJP	NA	NA
+MJ030239	Spirostaphylotrichin R; 3-Me ether 	C15H21NO6	311.136887	NA	MeJP	NA	NA
+C13732	Domoic acid	C15H21NO6	311.1369	NA	KEGG	NA	NA
+MJ030240	Pyrrobutamine 	C20H22ClN	311.144077	NA	MeJP	NA	NA
+C16985	Leonurine	C14H21N3O5	311.1481	NA	KEGG	NA	NA
+MJ030241	Leonurine 	C14H21N3O5	311.14812	NA	MeJP	NA	NA
+C06173	Thebaine	C19H21NO3	311.1521	NA	KEGG	NA	NA
+C09550	Isothebaine	C19H21NO3	311.1521	NA	KEGG	NA	NA
+C09611	(+)-Pronuciferine	C19H21NO3	311.1521	NA	KEGG	NA	NA
+C11787	Nalorphine	C19H21NO3	311.1521	NA	KEGG	NA	NA
+MJ030242	Thebaine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030243	1,2,10-Trimethoxyaporphine, O1-De-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030244	1,2,10-Trimethoxyaporphine, O10-De-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030245	1,2,10-Trimethoxyaporphine, O2-De-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030246	1,2,10-Trimethoxyaporphine, O10-De-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030247	11-Hydroxy-1,2-dimethoxyaporphine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030248	2-Hydroxy-3,8-dimethoxypavinane 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030249	3,6-Dihydroxy-4,5-diphenyl-2-piperidinone; N,O6-Di-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030250	3-Hydroxynuciferine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030251	8-Methylanibacanine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030252	8-Methylpseudoanibacanine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030253	Aegeline, Me ether 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030254	Argentinine; N-Oxide 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030255	Cinnamolaurine, Me ether 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030256	Clausenamide, 1'-Me ether 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030257	Crotsparine; N,O-Di-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030258	Flindersine; 7-(3-Methyl-2-butenyloxy) 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030259	Furoerioaustralasine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030260	Isopiline, Me ether 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030261	Isopiline, N-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030262	Isothebaine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030263	Lemairamine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030264	Liridinine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030265	Manibacanine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030266	Nalorphine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030267	Orientine, O1-De-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030268	Pachyconfine; O2-Me 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030269	Piperettine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030270	Pronuciferine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030271	Pseudomanibacanine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030272	Schelhammeridine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030273	Secoquettamine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030274	Spiroxepin 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030275	Stipitatine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030276	Thebaine 	C19H21NO3	311.152143	NA	MeJP	NA	NA
+MJ030277	Quettamine 	C19H22NO3(+)	311.152143	NA	MeJP	NA	NA
+MJ030278	Viguine; N-Me 	C19H22NO3(+)	311.152143	NA	MeJP	NA	NA
+MetaCyc02768	thebaine []	C19H21N1O3	311.152144	NA	metacyc	NA	NA
+MJ030279	Vephylline 	C13H21N5O4	311.159354	NA	MeJP	NA	NA
+MJ030280	Xanthinol 	C13H21N5O4	311.159354	NA	MeJP	NA	NA
+PJ000253	GVH 	C13H21N5O4	311.1594	NA	PeJP	NA	NA
+MJ030281	Lysergic acid, C8-Epimer, ?-hydroxyethylamide 	C18H21N3O2	311.163376	NA	MeJP	NA	NA
+MJ030282	Lysergic acid, ?-Hydroxyethylamide 	C18H21N3O2	311.163376	NA	MeJP	NA	NA
+C10931	Butachlor	C17H26ClNO2	311.1652	NA	KEGG	NA	NA
+C14517	Pretilachlor	C17H26ClNO2	311.1652	NA	KEGG	NA	NA
+PJ000254	HR 	C12H21N7O3	311.1706	NA	PeJP	NA	NA
+MJ030283	Talsupram 	C20H25NS	311.17077	NA	MeJP	NA	NA
+3524	ACE inhibitor (from bovine beta-CN)	VPP	311.172	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ030284	7-Hydroxy-1-hydroxymethylpyrrolizidine, O1'-(2-Carbethoxy-3-methyl-2-butenoyl) 	C16H25NO5	311.173272	NA	MeJP	NA	NA
+MJ030285	Aspersitin; 2'-Epimer, N-(2-hydroxyethyl) 	C16H25NO5	311.173272	NA	MeJP	NA	NA
+MJ030286	Crocandine 	C16H25NO5	311.173272	NA	MeJP	NA	NA
+MJ030287	Hordenine; O-?-L-Rhamnopyranoside 	C16H25NO5	311.173272	NA	MeJP	NA	NA
+MJ030288	Retusine 	C16H25NO5	311.173272	NA	MeJP	NA	NA
+MJ030289	Wasabidienone D; N-Hydroxyethyl 	C16H25NO5	311.173272	NA	MeJP	NA	NA
+MJ030290	Noberastine 	C17H21N5O	311.17461	NA	MeJP	NA	NA
+MJ030291	Clodacaine 	C16H26ClN3O	311.17644	NA	MeJP	NA	NA
+PJ000255	PPV 	C15H25N3O4	311.1845	NA	PeJP	NA	NA
+C08708	Spiradine A	C20H25NO2	311.1885	NA	KEGG	NA	NA
+C14174	Allocain-S	C20H25NO2	311.1885	NA	KEGG	NA	NA
+C15062	17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile	C20H25NO2	311.1885	NA	KEGG	NA	NA
+MJ030292	1-Methyl-3,3-bis(3-methyl-2-butenyl)-2,4(1H,3H)-quinolinedione 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030293	2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone, 1'?-Hydroxy, N-Me 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030294	2-(3,7-Dimethyl-2,6-octadienyl)-4(1H)-quinolinone, ?1'-Isomer, 3'?-hydroxy, N-Me 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030295	Adiphenine 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030296	Cuspareine 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030297	Cyclamenol 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030298	Dienogest 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030299	Estrazinol 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030300	Femoxetine 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030301	Fomocaine 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030302	Ketorfanol 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030303	Kobusine; 11-Ketone 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030304	Propanocaine 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030305	Spiradine B; 11-Ketone 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030306	Spirasine X 	C20H25NO2	311.188529	NA	MeJP	NA	NA
+MJ030307	Butofilolol 	C17H26FNO3	311.189671	NA	MeJP	NA	NA
+MJ030308	Milacainide 	C19H25N3O	311.199762	NA	MeJP	NA	NA
+MJ030309	Toprilidine 	C19H25N3O	311.199762	NA	MeJP	NA	NA
+HMDB13325	2-trans,4-cis-Decadienoylcarnitine	C17H29NO4	311.209656	NA	HMDB2010	NA	NA
+MJ030310	Antibiotic PI 091 	C17H29NO4	311.209658	NA	MeJP	NA	NA
+MJ030311	Antibiotic Y 03559J-A 	C17H29NO4	311.209658	NA	MeJP	NA	NA
+MJ030312	Antibiotic YM 47515 	C17H29NO4	311.209658	NA	MeJP	NA	NA
+C07941	Biperiden	C21H29NO	311.2249	NA	KEGG	NA	NA
+C07942	Transferred to D00780	C21H29NO	311.2249	NA	KEGG	NA	NA
+MJ030313	2-Undecyl-4(1H)-quinolinone; 5',6'-Didehydro, N-Me (Z-) 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030314	2-Undecyl-4(1H)-quinolinone; 6',7'-Didehydro, N-Me (Z-) 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030315	Biperiden 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030316	Bufenadrine 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030317	Hexbutinol 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030318	Holadienine; N-De-Me 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030319	Holonamine; 11-Deoxy, 1,2-dihydro 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030320	Isomethadol 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030321	Kalihipyran 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030322	Methadol 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030323	Pubescine 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030324	Secopseudopteroxazole 	C21H29NO	311.224914	NA	MeJP	NA	NA
+MJ030325	Atiprosin 	C20H29N3	311.236147	NA	MeJP	NA	NA
+MJ030326	2-(Aminomethyl)-2-propenoic acid; N-Tetradecanoyl 	C18H33NO3	311.246043	NA	MeJP	NA	NA
+MJ030327	2-Amino-5-tetradecen-3-ol, N,O-Di-Ac 	C18H33NO3	311.246043	NA	MeJP	NA	NA
+MJ030328	2-(Heptylamino)cyclopentaneheptanoic acid 	C19H37NO2	311.282429	NA	MeJP	NA	NA
+MJ030329	Cassine, N-Me 	C19H37NO2	311.282429	NA	MeJP	NA	NA
+MJ030330	Motuporamine B 	C19H41N3	311.330048	NA	MeJP	NA	NA
+2773	protease HIV 1 inhibitor	LEYSI	311.6525	MH2+	Inhouse_peptide	NA	peptide
+2776	protease HIV 1 inhibitor	LLEYS	311.6525	MH2+	Inhouse_peptide	NA	peptide
+7753	soymorphin-5	YPFVV	311.6595	MH2+	Inhouse_peptide	NA	peptide
+MJ030331	Diiodoacetic acid 	C2H2I2O2	311.814416	NA	MeJP	NA	NA
+MJ030332	1,3-Diiodo-2-propanol 	C3H6I2O	311.850801	NA	MeJP	NA	NA
+MJ030333	2-(Dibromomethylene)octanoic acid 	C9H14Br2O2	311.936054	NA	MeJP	NA	NA
+MJ030334	9,9-Dibromo-8-nonenoic acid 	C9H14Br2O2	311.936054	NA	MeJP	NA	NA
+MJ030335	Mollisin 	C14H10Cl2O4	311.995614	NA	MeJP	NA	NA
+C05695	gamma-Glutamyl-Se-methylselenocysteine	C9H16N2O5Se	312.0224	NA	KEGG	NA	NA
+HMDB10716	Gamma-Glutamyl-Se-methylselenocysteine	C9H16N2O5Se	312.02243	NA	HMDB2010	NA	NA
+MJ030336	gamma-Glutamyl-Se-methylselenocysteine 	C9H16N2O5Se	312.022443	NA	MeJP	NA	NA
+MJ030337	Sulfaclomide 	C12H13ClN4O2S	312.044774	NA	MeJP	NA	NA
+MJ030338	Djenkolic acid, N-Ac, S-oxide 	C9H16N2O6S2	312.044977	NA	MeJP	NA	NA
+MJ030339	Tartaric acid, Mono-(3,4-dihydroxycinnamoyl) 	C13H12O9	312.048131	NA	MeJP	NA	NA
+MJ030340	Tartaric acid, Mono(3,4-dihydroxycinnamoyl) 	C13H12O9	312.048131	NA	MeJP	NA	NA
+FL1CHYNS0008	Galiposin;1,3-Bis(1,3-benzodioxol-5-yl)-3-hydroxy-2-propen-1-one	C17H12O6	312.06338	204397-06-8	knapsack	NA	NA
+FL3F2CNS0003	Prosogerin A	C17H12O6	312.06338	70927-54-7	knapsack	NA	NA
+FL3FCCNS0002	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C17H12O6	312.06338	109602-69-9	knapsack	NA	NA
+FLIA1LNS0007	Cuneatin;Maximaisoflavone G	C17H12O6	312.06338	7741-28-8	knapsack	NA	NA
+FLIA2CNS0001	Fujikinetin	C17H12O6	312.06338	38965-66-1	knapsack	NA	NA
+FLIA3CNS0004	Maximaisoflavone E	C17H12O6	312.06338	94413-09-9	knapsack	NA	NA
+FLIAE8NS0001	Betavulgarin;2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone	C17H12O6	312.06338	51068-94-1	knapsack	NA	NA
+FLIAE8NS0007	Irisone A;5-Hydroxy-2'-methoxy-6,7-methylenedioxyisoflavone	C17H12O6	312.06338	2652-16-6	knapsack	NA	NA
+FLIAEANS0005	Irisolone;4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone	C17H12O6	312.06338	3301-68-6	knapsack	NA	NA
+FLIDQUNS0001	4-Deoxybryaquinone	C17H12O6	312.06338	58536-20-2	knapsack	NA	NA
+FLIDWXNS0005	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene	C17H12O6	312.06338	56296-88-9	knapsack	NA	NA
+FLIE1CNS0004	3-Hydroxy-8,9-dimethoxycoumestan	C17H12O6	312.06338	5252-40-4	knapsack	NA	NA
+FLIE1LNS0003	Wairol;3-Hydroxy-7,9-dimethoxycoumestan;7-Hydroxy-10,12-dimethoxycoumestan	C17H12O6	312.06338	77331-73-8	knapsack	NA	NA
+FLIFWYNM0001	Boeravinone B;6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone	C17H12O6	312.06338	114567-34-9	knapsack	NA	NA
+FLNARNNS0003	5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin	C17H12O6	312.06338	112078-70-3	knapsack	NA	NA
+HMDB06552	Aflatoxin B1	C17H12O6	312.063385	NA	HMDB2010	NA	NA
+MJ030341	1,2,3,4-Tetrahydroxyanthraquinone; 1,4-Di-Me, 2,3-methylenedioxy ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030342	1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 1,2-Methylene, 3-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030343	1,3,6,8-Tetrahydroxy-2-methyl-7-vinylanthraquinone 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030344	1,3-Bis(3,4-dihydroxyphenyl)-1,3-propanedione; 3,4:3',4'-Bis(methylene) ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030345	1,3-Dihydroxyanthraquinone-2-carboxylic acid; Di-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030346	1,3-Dihydroxyanthraquinone-2-carboxylic acid; Et ester 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030347	1,6,8-Trihydroxy-3-propanoylanthraquinone 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030348	1,8-Dihydroxy-3-hydroxymethylanthraquinone; 1'-Ac 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030349	2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2'-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030350	2',5,6,7-Tetrahydroxyisoflavone; 2'-Me, 6,7-methylene ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030351	2',5,6,7-Tetrahydroxyisoflavone; 5-Me, 6,7-methylene ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030352	2,5-Dihydroxy-6-methylanthraquinone-1-carboxylic acid; Me ester 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030353	2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030354	3',4',6,7-Tetrahydroxyflavone; 6-Me, 3',4'-methylene ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030355	3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030356	3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 7-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030357	3',4',7,8-Tetrahydroxyisoflavone; 3',4'-Methylene, 8-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030358	3',4,4'-Trihydroxypulvinone 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030359	3,4,8,9-Tetrahydroxypterocarpene; 4-Me, 8,9-methylene ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030360	3,7,9-Trihydroxycoumestan; 7,9-Di-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030361	3,8,9-Trihydroxycoumestan; 8,9-Di-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030362	3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030363	3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030364	4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 4'-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030365	4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 5-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030366	4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030367	5,7-Dihydroxy-3',4'-methylenedioxyflavone; 7-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030368	5,9,10-Trihydroxy-2H-pyrano[2,3,4-kl]xanthen-2-one; 4',7-Di-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030369	6,7,8-Trihydroxyanthraquinone-2-carboxaldehyde; 6,8-Di-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030370	8,10,11-Trihydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one; 11-Me ether 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030371	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-Hydroxy 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030372	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 7-Hydroxy 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030373	Achlisocoumarin III 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030374	Aflatoxin B1 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030375	Antibiotic BE 23372M 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030376	Aspulvinone G 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030377	Boeravinone B 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030378	Bryaquinone; Deoxy 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030379	Gyroporin 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030380	Ochrolide 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030381	Scillascillin 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030382	Sterigmatocystin; 1,2-Dihydro, O-de-Me 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030383	Talosalate 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MJ030384	Ventilatone A 	C17H12O6	312.063388	NA	MeJP	NA	NA
+MetaCyc02769	aflatoxin B1 []	C17H12O6	312.063388	NA	metacyc	NA	NA
+MetaCyc02770	dihydrodemethylsterigmatocystin []	C17H12O6	312.063388	NA	metacyc	NA	NA
+HMDB06552	aflatoxin B1	C17H12O6	312.06339	http://www.hmdb.ca/metabolites/HMDB06552	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06552	aflatoxin B1	C17H12O6	312.06339	http://www.hmdb.ca/metabolites/HMDB06552	HMDB	NA	NA
+HMDB06552	aflatoxin B1	C17H12O6	312.06339	http://www.hmdb.ca/metabolites/HMDB06552	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06552	aflatoxin B1	C17H12O6	312.06339	HMDB06552	PFEM_hmdb_metabocards_official	NA	NA
+C02007	Aspulvinone G	C17H12O6	312.0634	NA	KEGG	NA	NA
+C06800	Aflatoxin B1	C17H12O6	312.0634	NA	KEGG	NA	NA
+C10201	Betavulgarin	C17H12O6	312.0634	NA	KEGG	NA	NA
+MJ030385	Lonazolac 	C17H13ClN2O2	312.066555	NA	MeJP	NA	NA
+C03280	Inosine-5'-carboxylate	C11H12N4O7	312.0706	NA	KEGG	NA	NA
+MJ030386	Glybuthiazol 	C12H16N4O2S2	312.071467	NA	MeJP	NA	NA
+MJ030387	10-Bromo-1,8-epoxy-3,9-chamigradien-7-ol 	C15H21BrO2	312.072492	NA	MeJP	NA	NA
+MJ030388	10-Bromo-5,10:2,7-diepoxy-3(15)-chamigrene 	C15H21BrO2	312.072492	NA	MeJP	NA	NA
+MJ030389	Kumausyne, O-De-Ac 	C15H21BrO2	312.072492	NA	MeJP	NA	NA
+MJ030390	Laurencin, De-Ac 	C15H21BrO2	312.072492	NA	MeJP	NA	NA
+MJ030391	Prelaureatin 	C15H21BrO2	312.072492	NA	MeJP	NA	NA
+MJ030392	4-Hydroxy-1,6-phenazinedicarboxylic acid; Di-Me ester 	C16H12N2O5	312.074621	NA	MeJP	NA	NA
+MJ030393	Pentalenolactone I 	C15H17ClO5	312.076451	NA	MeJP	NA	NA
+MJ030394	Thienamycin; 1',2'-Didehydro, N-Ac 	C13H16N2O5S	312.077992	NA	MeJP	NA	NA
+MJ030395	Thienamycin; 6,8-Diepimer, 1',2'-didehydro, N-Ac 	C13H16N2O5S	312.077992	NA	MeJP	NA	NA
+MJ030396	Thienamycin; 8-Epimer, 1',2'-didehydro, N-Ac 	C13H16N2O5S	312.077992	NA	MeJP	NA	NA
+C17396	Epithienamycin B	C13H16N2O5S	312.078	NA	KEGG	NA	NA
+C17398	Epithienamycin D	C13H16N2O5S	312.078	NA	KEGG	NA	NA
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	HMDB	NA	NA
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	Inhouse_PFEM	NA	NA
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC013	n-acetyl cysteine Paracetamol	NA	312.0838	RT7.7	PFEM_hmdb_metabocards_official	NA	NA
+MJ030397	Tiotidine 	C10H16N8S2	312.093933	NA	MeJP	NA	NA
+MetaCyc02771	pteroate []	C14H12N6O3	312.097088	119-24-4	metacyc	NA	NA
+C07582	Pteroic acid	C14H12N6O3	312.0971	NA	KEGG	NA	NA
+C07583	Transferred to D00564	C14H12N6O3	312.0971	NA	KEGG	NA	NA
+FL1C1CNS0007	3,4-Methylenedioxy-2',4'-dimethoxychalcone	C18H16O5	312.09977	58344-60-8	knapsack	NA	NA
+FL1CA9NM0006	Leridal chalcone;(E)-2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxo-3-phenyl-2-propenyl)benzaldehyde	C18H16O5	312.09977	177602-75-4	knapsack	NA	NA
+FL1CE9NS0007	Helilandin A	C18H16O5	312.09977	70185-50-1	knapsack	NA	NA
+FL1CRTNM0001	3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone	C18H16O5	312.09977	130278-10-3	knapsack	NA	NA
+FL2FA9NM0012	Leridal	C18H16O5	312.09977	143084-65-5	knapsack	NA	NA
+FL2FA9NM0017	Desmosflavanone II;7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone	C18H16O5	312.09977	219917-96-1	knapsack	NA	NA
+FL3F1CNS0004	7,3',4'-Trimethoxyflavone	C18H16O5	312.09977	22395-24-0	knapsack	NA	NA
+FL3F1LNS0002	7,2',4'-Trimethoxyflavone;2-(2,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C18H16O5	312.09977	7578-51-0	knapsack	NA	NA
+FL3F98NS0007	5,6,2'-Trimethoxyflavone	C18H16O5	312.09977	16266-97-0	knapsack	NA	NA
+FL3F98NS0010	6,2',3'-Trimethoxyflavone	C18H16O5	312.09977	79786-41-7	knapsack	NA	NA
+FL3F99NS0008	5,6,3'-Trimethoxyflavone	C18H16O5	312.09977	17182-55-7	knapsack	NA	NA
+FL3F9GNS0003	3',4',5'-Trimethoxyflavone;2-(3,4,5-Trimethoxyphenyl)-4H-1-benzopyran-4-one	C18H16O5	312.09977	67858-30-4	knapsack	NA	NA
+FL3FA8NM0001	5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone;5-Hydroxy-2-(2-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C18H16O5	312.09977	188444-28-2	knapsack	NA	NA
+FL3FA8NS0006	5,7,2'-Trimethoxyflavone;5,7-Dimethoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O5	312.09977	4308-57-0	knapsack	NA	NA
+FL3FCANM0001	Sideroxylin;4',5-Dihydroxy-7-methoxy-6,8-dimethylflavone;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C18H16O5	312.09977	3122-87-0	knapsack	NA	NA
+FL3FCBNM0001	8-Desmethyleucalyptin;8-Demethyleucalyptin;5-Hydroxy-7,4'-dimethoxy-6-methylflavone;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-1-benzopyran-4-one	C18H16O5	312.09977	5689-38-3	knapsack	NA	NA
+FL3FDBNS0001	Apigenin 5,7,4'-trimethyl ether	C18H16O5	312.09977	5631-70-9	knapsack	NA	NA
+FL3FE9NS0006	Baicalein 5,6,7-trimethyl ether	C18H16O5	312.09977	973-67-1	knapsack	NA	NA
+FL3FF9NS0005	Norwogonin 5,7,8-trimethyl ether	C18H16O5	312.09977	23050-38-6	knapsack	NA	NA
+FL5FA9NM0005	5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone	C18H16O5	312.09977	79174-96-2	knapsack	NA	NA
+FL5FA9NM0006	3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone	C18H16O5	312.09977	97208-73-6	knapsack	NA	NA
+FL5FA9NS0001	Galangin 3,5,7-trimethyl ether;Galangin trimethyl ether;3,5,7-trimethoxyflavone	C18H16O5	312.09977	26964-29-4	knapsack	NA	NA
+FLIA1CNS0008	Cabreuvin;7,3',4'-Trimethoxyisoflavone	C18H16O5	312.09977	1621-61-0	knapsack	NA	NA
+FLIDWXNS0004	Bryacarpene 5;3,9,10-Trimethoxypterocarpene	C18H16O5	312.09977	55306-18-8	knapsack	NA	NA
+FLNADBNS0001	5,7,4'-Trimethoxy-4-phenylcoumarin	C18H16O5	312.09977	74512-60-0	knapsack	NA	NA
+MJ030398	1,2,5,6,7-Phenanthrenepentol; 1,2-Methylene ether, 5,6,7-tri-Me 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030399	1,3,5-Trihydroxy-2-prenylxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030400	1,3,5-Trihydroxy-4-prenylxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030401	1,3,6-Trihydroxy-4-prenylxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030402	1,3,7-Trihydroxy-2-prenylxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030403	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Et, 1-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030404	1,4,5-Trihydroxy-3-prenylxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030405	1,5-Dihydroxy-6-prenylxanthone; 4'-Hydroxy 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030406	1,6,8-Trihydroxy-2,3-dimethylanthraquinone; 6,8-Di-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030407	1-Butyl-3,6,8-trihydroxyanthraquinone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030408	2',3',4',6'-Tetrahydroxychalcone; 3',4'-Methylene, 2',6'-di-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030409	2',3',6-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030410	2',5,6-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030411	2',5,7-Trihydroxy-6,8-dimethylflavone; 7-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030412	2',5,8-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030413	2,4-Dihydroxy-5-formyl-6-methoxy-3-methylchalcone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030414	2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxyxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030415	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, 3',4'-Methylene, 5-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030416	3',4',5'-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030417	3',4',7-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030418	3',4',7-Trihydroxyisoflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030419	3',5,6-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030420	3,4',8-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030421	3,5,7-Trihydroxy-6,8-dimethylflavone; 3-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030422	3,5,7-Trihydroxy-6,8-dimethylflavone; 7-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030423	3,5,7-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030424	3,9,10-Trihydroxypterocarpene; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030425	4',5,7-Trihydroxy-6,8-dimethylflavone; 7-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030426	4',5,7-Trihydroxy-6-methylflavone; 4',5-Di-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030427	4',5,7-Trihydroxy-6-methylflavone; 4',7-Di-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030428	4',5,7-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030429	4',5,7-Trihydroxyisoflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030430	4-(1,1-Dimethyl-2-propenyl)-1,3,5-trihydroxyxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030431	5,6,7-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030432	5,7,8-Trihydroxyflavone; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030433	5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; Tri-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030434	5,8-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; 4'-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030435	6-Formyl-5,7-dihydroxy-8-methylflavanone, 7-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030436	9,10-Dihydro-3,8-dihydroxy-1,7,10-trimethyl-2-anthracenecarboxylic acid 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030437	Agrostophyllin; 5-Methoxy 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030438	Bonducellin; 8-Methoxy 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030439	Caloxanthone F 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030440	Combretastatin D2; 3?,4?-Epoxide 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030441	Dehydrocycloguanandin; 3,4-Dihydro, 3-hydroxy 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030442	Dulciol E 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030443	Globuxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030444	Intricatinol; 7-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030445	Lawinal, 5-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030446	Maturin; Ac 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030447	Mbarraxanthone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030448	Murayalactone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030449	Mycosinol; 6,7-Epoxide, O-angeloyl 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030450	Ochrolone 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030451	Ophiopogonone B 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030452	Pancixanthone B 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030453	Przewaquinone F 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030454	Puerol A; 4''-Me ether 	C18H16O5	312.099773	NA	MeJP	NA	NA
+MJ030455	Tanshindiol A 	C18H16O5	312.099773	NA	MeJP	NA	NA
+C10024	Baicalein 5,6,7-trimethyl ether	C18H16O5	312.0998	NA	KEGG	NA	NA
+C10045	Galangin 3,5,7-trimethyl ether	C18H16O5	312.0998	NA	KEGG	NA	NA
+C17472	Ophiopogonone B	C18H16O5	312.0998	NA	KEGG	NA	NA
+MJ030456	Clazolam 	C18H17ClN2O	312.10294	NA	MeJP	NA	NA
+3388	ACE inhibitor	MY	312.1034	celiac toxic	Inhouse_peptide	NA	peptide
+8090	peptide derived from sardine muscle	MY	312.1034	ACE inhibitor	Inhouse_peptide	NA	peptide
+C01625	Vicianose	C11H20O10	312.1056	NA	KEGG	NA	NA
+C07285	Arabino-galactose	C11H20O10	312.1056	NA	KEGG	NA	NA
+C07286	[Arabino-galacto-(1->6)]-(1->3)-beta-D-galactans	C11H20O10	312.1056	NA	KEGG	NA	NA
+C08245	6-O-beta-D-Xylopyranosyl-D-glucose	C11H20O10	312.1056	NA	KEGG	NA	NA
+C11535	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose	C11H20O10	312.1056	NA	KEGG	NA	NA
+MJ030457	2-O-?-D-Galactopyranosyl-D-xylose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030458	2-O-?-D-Glucopyranosyl-L-arabinose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030459	2-O-?-D-Xylopyranosyl-D-galactose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030460	2-O-?-D-Xylopyranosyl-D-glucose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030461	2-O-?-D-Xylopyranosyl-D-mannose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030462	2-O-?-D-Glucopyranosyl-D-xylose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030463	3-O-?-D-Galactopyranosyl-L-arabinose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030464	3-O-?-D-Xylopyranosyl-D-galactose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030465	3-O-?-D-Galactopyranosyl-L-arabinose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030466	3-O-?-D-Xylopyranosyl-D-glucose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030467	4-O-?-D-Galactopyranosyl-D-xylose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030468	4-O-?-D-Glucopyranosyl-D-xylose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030469	4-O-?-D-Xylopyranosyl-D-allose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030470	4-O-?-D-Xylopyranosyl-D-mannose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030471	5-O-?-D-Galactopyranosyl-L-arabinose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030472	6-O-?-D-Xylopyranosyl-D-galactose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030473	6-O-?-D-Xylopyranosyl-D-glucose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030474	6-O-?-D-Xylopyranosyl-D-mannose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030475	6-O-?-D-Xylopyranosyl-D-glucose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MJ030476	6-O-?-L-Arabinopyranosyl-D-glucose 	C11H20O10	312.105646	NA	MeJP	NA	NA
+MetaCyc02772	vicianose []	C11H20O10	312.105647	14116-69-9	metacyc	NA	NA
+MetaCyc02773	3-O-&beta;-D-galactopyranosyl-D-arabinose [3-O-&beta;-D-galactopyranosyl-L-arabinose;3-O-galactosylarabinose;arabinosylgalactose;galactosylarabinose;]	C11H20O10	312.105647	6057-48-3	metacyc	NA	NA
+HMDB11677	Galactose-beta-1,4-xylose	C11H20O10	312.105652	NA	HMDB2010	NA	NA
+MJ030477	Monilidiol 	C16H21ClO4	312.112836	NA	MeJP	NA	NA
+MJ030478	Antibiotic PS 6 	C14H20N2O4S	312.114377	NA	MeJP	NA	NA
+MJ030479	Penicillin F 	C14H20N2O4S	312.114377	NA	MeJP	NA	NA
+C17371	PS-6	C14H20N2O4S	312.1144	NA	KEGG	NA	NA
+C17402	Penicillin F	C14H20N2O4S	312.1144	NA	KEGG	NA	NA
+PJ000256	MY 	C14H20N2O4S	312.1144	NA	PeJP	NA	NA
+C05855	4-Hydroxycinnamyl alcohol 4-D-glucoside	C15H20O7	312.1209	NA	KEGG	NA	NA
+C06080	Nivalenol	C15H20O7	312.1209	NA	KEGG	NA	NA
+C06081	Polyprenol	C10H18O	312.1209	NA	KEGG	NA	NA
+C12076	Deoxyanisatin	C15H20O7	312.1209	NA	KEGG	NA	NA
+MJ030480	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030481	2,6-Dimethylbenzoic acid; ?-D-Glucopyranosyl ester 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030482	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 15-Hydroperoxide 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030483	3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-?-D-Glucopyranoside 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030484	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-?-D-Glucopyranoside 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030485	4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030486	4-(2-Propenyl)-1,2-benzenediol; 1-O-?-D-Glucopyranoside 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030487	Majucin; 4-Deoxy 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030488	Neoanisatin 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030489	Picrodendrin C 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030490	Picrodendrin I 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030491	Tutin; 8,9-Dihydro, 8-hydroxy 	C15H20O7	312.120902	NA	MeJP	NA	NA
+MJ030492	Nivalenol 	C15H20O7	312.120903	NA	MeJP	NA	NA
+HMDB04304	Nivalenol	C15H20O7	312.12091	http://www.hmdb.ca/metabolites/HMDB04304	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04304	Nivalenol	C15H20O7	312.12091	http://www.hmdb.ca/metabolites/HMDB04304	HMDB	NA	NA
+HMDB04304	Nivalenol	C15H20O7	312.12091	http://www.hmdb.ca/metabolites/HMDB04304	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04304	Nivalenol	C15H20O7	312.12091	HMDB04304	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04304	Nivalenol	C15H20O7	312.120911	NA	HMDB2010	NA	NA
+MJ030493	6,7,8,9-Tetrahydro-6-methyl-4-oxo-9-(phenylhydrazono)-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid 	C16H16N4O3	312.12224	NA	MeJP	NA	NA
+MJ030494	(1-Piperidinyl)ethyl 4-amino-5-chloro-2-methoxybenzoate 	C15H21ClN2O3	312.12407	NA	MeJP	NA	NA
+CJpos0738	Dimethylguanosine [(M+H)]+ (13C)	C1113CH18N5O5	312.125775	C18rt(min)=4.71 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0738	Dimethylguanosine [(M+H)]+ (13C)	C1113CH18N5O5	312.125775	C18rt(min)=4.71 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0516	Dimethylguanosine [(M-H)]- (13C)	C1113CH16N5O5	312.126825	C18rt(min)=4.71 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0516	Dimethylguanosine [(M-H)]- (13C)	C1113CH16N5O5	312.126825	C18rt(min)=4.71 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+FL1CQUNS0003	Desmosdumotin C	C19H20O4	312.13615	426823-13-4	knapsack	NA	NA
+MJ030495	1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one; 3'-Hydroxy 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030496	1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one; 6-Hydroxy 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030497	1-(3,4-Dihydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol, 3,4-Methylene ether 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030498	14,16-Epoxy-20-nor-5(10),6,8,13-abietatetraene-11,12-dione, 17-Hydroxy 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030499	2-(3-Methyl-2-butenyl)-1,4-naphthalenediol; Di-Ac 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030500	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, 1-methyl-2-phenylethyl ester 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030501	3-Hydroxy-5-methoxy-4-(3-methyl-2-butenyl)biphenyl; 2-Carboxy 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030502	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5-Me ether 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030503	4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)furan; Angeloyl 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030504	5,7-Pentadecadiene-9,11,13-triyne-1,3-diol; Di-Ac 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030505	5-[(4-Hydroxypheny)ethenyl]-2-(3-methyl-1-butenyl)-1,3-benzenediol; 3'-Hydroxy 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030506	6,7,8,9-Tetrahydro-1,6,6-trimethylfuro[3,2-c]naphth[2,1-e]oxepine-10,12-dione; 1,2-Dihydro 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030507	7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one; 2'-Ketone, 7-O-(3-methyl-2-butenyl) 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030508	9',13'-Norcyclolycoserone 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030509	Acerogenin D 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030510	Acerogenin H 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030511	Alnusdiol; 9-Ketone 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030512	Arachidin I 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030513	Auraptene; 5'-Oxo 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030514	Auraptene; 8'-Oxo 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030515	Auraptene; ?3'-Isomer(E-), 5'-oxo 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030516	Brombyin 1; 1-Ketone 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030517	Citrusarin A 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030518	Citrusarin B 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030519	Deoxybruceol 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030520	Diversin 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030521	Eriobrucinol 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030522	Eriosematin 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030523	Galipein 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030524	Gancaonin V 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030525	Hainanolidol 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030526	Honyudisin 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030527	Isoeriosematin 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030528	Luvangetin; O-De-Me, O-(3-methyl-2-butenyl) 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030529	Miltionone I 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030530	Montanin A 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030531	Nordentatin 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030532	Ochracenomicin A; 4a,12b-Dideoxy, 5,6,6a,12a-tetrahydro 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030533	Protobruceol I 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030534	Radulanin D 	C19H20O4	312.136159	NA	MeJP	NA	NA
+MJ030535	Trachyphyllin 	C19H20O4	312.136159	NA	MeJP	NA	NA
+C09136	Montanin A	C19H20O4	312.1362	NA	KEGG	NA	NA
+C10283	4'-Prenyloxyresveratrol	C19H20O4	312.1362	NA	KEGG	NA	NA
+C14211	Butylbenzyl phthalate	C19H20O4	312.1362	NA	KEGG	NA	NA
+C14935	m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid	C19H20O4	312.1362	NA	KEGG	NA	NA
+MJ030536	Lurosetron 	C17H17FN4O	312.138639	NA	MeJP	NA	NA
+MJ030537	Elanzepine 	C19H21ClN2	312.139326	NA	MeJP	NA	NA
+MJ030538	Olanzapine 	C17H20N4S	312.140867	NA	MeJP	NA	NA
+HMDB05012	Olanzapine	C17H20N4S	312.140869	NA	HMDB2010	NA	NA
+HMDB05012	Olanzapine	C17H20N4S	312.14087	http://www.hmdb.ca/metabolites/HMDB05012	HMDB	NA	NA
+HMDB05012	Olanzapine	C17H20N4S	312.14087	HMDB05012	PFEM_hmdb_metabocards_official	NA	NA
+C07322	Olanzapine	C17H20N4S	312.1409	NA	KEGG	NA	NA
+MJ030539	Erymelanthine 	C18H20N2O3	312.147392	NA	MeJP	NA	NA
+PJ000257	FF 	C18H20N2O3	312.1474	NA	PeJP	NA	NA
+HMDB13302	Phenylalanylphenylalanine	C18H20N2O3	312.1474	NA	HMDB2010	NA	NA
+3282	NA	NGRAHA	312.14845	MH2+	Inhouse_peptide	NA	peptide
+MJ030540	Panaxydol; 1,2-Dihydro, 1-chloro, 2-hydroxy 	C17H25ClO3	312.149222	NA	MeJP	NA	NA
+MJ030541	2-Isopropyl-5-methylphenol; O-?-D-Glucopyranoside 	C16H24O6	312.157288	NA	MeJP	NA	NA
+MJ030542	Antibiotic AM 6927 	C16H24O6	312.157288	NA	MeJP	NA	NA
+MJ030543	Ovalicin; 12-Hydroxy 	C16H24O6	312.157288	NA	MeJP	NA	NA
+MJ030544	Pyrenophorol 	C16H24O6	312.157288	NA	MeJP	NA	NA
+MJ030545	Propamidine 	C17H20N4O2	312.158625	NA	MeJP	NA	NA
+2711	erythromycin inhibitor	MFSKL	312.1592	MH2+	Inhouse_peptide	NA	peptide
+MJ030546	Benzindopyrine 	C22H20N2	312.162648	NA	MeJP	NA	NA
+MJ030547	Profenamine 	C19H24N2S	312.166019	NA	MeJP	NA	NA
+C09120	Jatrophone	C20H24O3	312.1725	NA	KEGG	NA	NA
+C09524	Broussonin C	C20H24O3	312.1725	NA	KEGG	NA	NA
+C10436	Centrolobine	C20H24O3	312.1725	NA	KEGG	NA	NA
+MJ030548	1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030549	10'-Oxo-6,10'-diapo-6-carotenoic acid, Me ester 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030550	14,16-Epoxy-11-hydroxy-5,7,9(11),13-abietatetraen-12-one 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030551	15,16-Epoxy-1,3,12,13(16),14-clerodapentaen-18-oic acid 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030552	3,6-Epoxy-3,5,7,11,15-cembrapentaen-20,10-olide 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030553	4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030554	4(10),6,11(18),15-Rhamnofolatetraene-1,5-dione, 2-Hydroxy 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030555	4-Hydroxymethylathrixianone; 19-Carboxylic acid, Me ester 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030556	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030557	5,6-Secofuranoeremophila-1(10),2,4-trien-6-ol; 3-Methyl-2-butenoyl 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030558	5-Methoxy-1,7-diphenyl-3-heptanone; 4''-Hydroxy 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030559	6-Hydroxy-5,8,11,13-abietatetraene-1,7-dione 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030560	7,16:7,20-Diepoxy-8,11,13-cleistanthatrien-3-ol; 3-Ketone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030561	7-Hydroxy-3-oxo-8,11,13-cleistanthatrien-16-oic acid, 16?7 Lactone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030562	7-Oxo-8,11,13-cleistanthatrien-19,20-olide 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030563	8-(3,7-Dimethyl-2,6-octadienyl)-7-hydroxy-2H-1-benzopyran-2-one, Me ether 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030564	Aethiopinone; ?3-Isomer, 2-hydroxy 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030565	Brachychromone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030566	Brachycoumarin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030567	Broussonin C 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030568	Cacalol; 3-Methyl-2-butenoyl 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030569	Cannabistilbene I 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030570	Centrolobin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030571	Conyscabraic acid; 5,6-Didehydro 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030572	Crocetindialdehyde; Monocarboxylic acid 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030573	Cyclobrachycoumarin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030574	Cycloisobrachycoumarin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030575	Estrone; Ac 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030576	Gravelliferone; Me ether 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030577	Hannokinol, 4'-Deoxy, 1,2-didehydro(E-), 3-Me ether 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030578	Jatrogrossidione 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030579	Jatropholone B; 15-Hydroxy 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030580	Jatrophone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030581	Kallolide A; 2-Deoxy 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030582	Lanugone A 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030583	Limbinol 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030584	Nimbilicin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030585	Piloselliodan 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030586	Pygmaeocin C 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030587	Ramosinin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030588	Salprionin 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030589	Salvonitin; O-De-Et 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030590	Sapriparaquinone; 3,4-Didehydro 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030591	Sapriparaquinone; 4,18-Didehydro 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030592	Strictic acid; 11,12E-Didehydro 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030593	Triptophenolide 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030594	Umbrosone 	C20H24O3	312.172544	NA	MeJP	NA	NA
+MJ030595	17-Hydroxy-16-decarbomethoxydihydroepiajmalicine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030596	Ajmaline; N-De-Me 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030597	Antirhine; natural-form, 10-Hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030598	Cupreine; 10,11-Dihydro 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030599	Deoxyaspidodispermine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030600	Dicarfen 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030601	Dihydroperaksine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030602	Eburnamine, 16-Epimer, 19R-hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030603	Eburnamine, 16-Epimer, 18-hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030604	Eburnamine, 19R-Hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030605	Geissoschizol; 10-Hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030606	Ibogamine pseudoindoxyl; 19R-Hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030607	Neolaugerine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030608	Praziquantel 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030609	Quinamine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030610	Retuline; 16-Epimer, 18-hydroxy, N-de-Ac 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030611	Salverine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030612	Stapfinine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030613	Strychnosplendine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030614	Voaphylline hydroxyindolenine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030615	Voaphylline, 16?-Hydroxy 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MJ030616	Xylamidine 	C19H24N2O2	312.183778	NA	MeJP	NA	NA
+MetaCyc02774	norajmaline []	C19H24N2O2	312.183778	NA	metacyc	NA	NA
+C07367	Praziquantel	C19H24N2O2	312.1838	NA	KEGG	NA	NA
+C11810	Norajmaline	C19H24N2O2	312.1838	NA	KEGG	NA	NA
+C14561	2,4,6-Triphenyl-1-hexene	C24H24	312.1878	NA	KEGG	NA	NA
+C15437	1,3,5-Triphenylcyclohexane	C24H24	312.1878	NA	KEGG	NA	NA
+MJ030617	2,4,6-Triphenyl-1-hexene 	C24H24	312.1878	NA	MeJP	NA	NA
+MJ030618	Ficellomycin 	C13H24N6O3	312.190988	NA	MeJP	NA	NA
+MJ030619	2,5-Dihydro-2-methoxy-3,4-dimethyl-5-oxo-2-furannonanoic acid, Me ester 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030620	2,6,10-Farnesatriene-1,5,8,12-tetrol, 12-Ac 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030621	4,9,10,15-Tetrahydroxyprobotrydial, 4-Ac 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030622	6,10-Epoxy-7,8,10-isodaucanetriol, 8-Ac 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030623	7,11-Epoxy-1-bisabolene-3,10-diol; 10-Ac, 3-hydroperoxide 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030624	8-Daucene-4,6,10-triol, 8?,9?-Epoxide, 10-Ac 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030625	Arteether 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030626	Deacetyldihydrobotrydial; 4-Ac 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030627	Glycerol 1-alkanoates; Glycerol 1-(13-hydroxy-2E,4E,8E-tetradecatrienoate) 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030628	Manadic acid A 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030629	Methymycin; Aglycone 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030630	Neomethymycin; Aglycone 	C17H28O5	312.193674	NA	MeJP	NA	NA
+MJ030631	Peroxyplakoric acid A3 	C17H28O5	312.193674	NA	MeJP	NA	NA
+C07023	Granisetron	C18H24N4O	312.195	NA	KEGG	NA	NA
+MJ030632	Granisetron 	C18H24N4O	312.195011	NA	MeJP	NA	NA
+C08092	Oseltamivir	C16H28N2O4	312.2049	NA	KEGG	NA	NA
+MJ030633	4-(Acetylamino)-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid, Et ester 	C16H28N2O4	312.204907	NA	MeJP	NA	NA
+MJ030634	5-[[(Octahydro-2H-quinolizin-1-yl)methyl]amino]-5-oxopentanoic acid, Me ester, N-oxide 	C16H28N2O4	312.204907	NA	MeJP	NA	NA
+C03207	16-Dehydroprogesterone	C21H28O2	312.2089	NA	KEGG	NA	NA
+C04084	Pregna-4,9(11)-diene-3,20-dione	C21H28O2	312.2089	NA	KEGG	NA	NA
+C04087	Protein N(tau)-methyl-L-histidine	C8H10N4O2R2	312.2089	NA	KEGG	NA	NA
+C04088	Octadecanoyl-[acyl-carrier protein]	C18H35OSR	312.2089	NA	KEGG	NA	NA
+C08149	Levonorgestrel	C21H28O2	312.2089	NA	KEGG	NA	NA
+C08153	Norgestrel	C21H28O2	312.2089	NA	KEGG	NA	NA
+C14487	Ethisterone	C21H28O2	312.2089	NA	KEGG	NA	NA
+C14646	Pregna-4,11-diene-3,20-dione	C21H28O2	312.2089	NA	KEGG	NA	NA
+C14677	1-Dehydroprogesterone	C21H28O2	312.2089	NA	KEGG	NA	NA
+C14892	17-Allylestra-1,3,5(10)-triene-3,17beta-diol	C21H28O2	312.2089	NA	KEGG	NA	NA
+C15167	3-Methoxy-19-norpregna-1,3,5(10)-trien-20-one	C21H28O2	312.2089	NA	KEGG	NA	NA
+C15388	3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol	C21H28O2	312.2089	NA	KEGG	NA	NA
+HMDB00995	16-Dehydroprogesterone	C21H28O2	312.20892	http://www.hmdb.ca/metabolites/HMDB00995	HMDB	NA	NA
+HMDB04626	Tetrahydrogestrinone	C21H28O2	312.20892	http://www.hmdb.ca/metabolites/HMDB04626	HMDB	NA	NA
+HMDB00995	16-Dehydroprogesterone	C21H28O2	312.20892	HMDB00995	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04626	Tetrahydrogestrinone	C21H28O2	312.20892	HMDB04626	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00995	16-Dehydroprogesterone	C21H28O2	312.208923	NA	HMDB2010	NA	NA
+HMDB04626	Tetrahydrogestrinone	C21H28O2	312.208923	NA	HMDB2010	NA	NA
+MJ030635	11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one; 11-Deoxy, Me ether 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030636	12-Hydroxypregna-2,7,16-trien-20-one 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030637	12-Hydroxypregna-3,7,16-trien-20-one 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030638	13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030639	17-Hydroxypregn-4-en-20-yn-3-one; 17?OH-form 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030640	18-Hydroxypregna-1,4,20-trien-3-one 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030641	19-Norpregna-1,3,5(10),20-tetraen-3-ol; 4-Hydroxy, 3-Me ether 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030642	2,9,16-Heptadecatriene-4,6-diyn-1-ol, 2-Methylpropanoyl 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030643	Anhydrofurospongin 1 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030644	Arenarol; Quinone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030645	Avarol; 2',5'-Quinone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030646	Avarol; ?4(12)-Isomer, 2',5'-quinone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030647	Demegestone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030648	Dictyochromenol 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030649	Dydrogesterone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030650	Frondosin A 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030651	Helioporin D; 12,13-Didehydro (E-) 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030652	Helioporin D; 12,13-Didehydro (Z-) 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030653	Helioporin E 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030654	Isochromazonarol 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030655	Longithorone B; 16?,21-Dihydro 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030656	Pregna-4,11-diene-3,20-dione 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030657	Pregna-4,17(20)-diene-3,16-dione 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030658	Riccardiphenol A 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030659	Riccardiphenol C 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030660	Tibolone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MJ030661	Zonarol; Quinone 	C21H28O2	312.20893	NA	MeJP	NA	NA
+MetaCyc02775	pregna-4,9(11)-diene-3,20-dione []	C21H28O2	312.20893	NA	metacyc	NA	NA
+MetaCyc02776	16-dehydroprogesterone [16,17-Didehydroprogesterone;]	C21H28O2	312.20893	1096-38-4	metacyc	NA	NA
+MJ030662	Aspidospermidine, 10-Methoxy 	C20H28N2O	312.220163	NA	MeJP	NA	NA
+MJ030663	Deacetylaspidospermine 	C20H28N2O	312.220163	NA	MeJP	NA	NA
+MJ030664	Fruticosonine 	C20H28N2O	312.220163	NA	MeJP	NA	NA
+MJ030665	Pytamine 	C20H28N2O	312.220163	NA	MeJP	NA	NA
+MJ030666	Quebrachamine, 11-Methoxy 	C20H28N2O	312.220163	NA	MeJP	NA	NA
+MJ030667	Antirhine; natural-form, Dihydro, N?-Me 	C20H29N2O(+)	312.220163	NA	MeJP	NA	NA
+MJ030668	Dihydrocorynantheol, 3-Epimer, N-Me (?-) 	C20H29N2O(+)	312.220163	NA	MeJP	NA	NA
+MJ030669	Dihydrocorynantheol, N-Me 	C20H29N2O(+)	312.220163	NA	MeJP	NA	NA
+C09191	Fruticosonine	C20H28N2O	312.2202	NA	KEGG	NA	NA
+MJ030670	13-Hydroperoxy-9,11-octadecadienoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030671	13-Hydroxy-10-oxo-11-octadecenoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030672	4,6-Diethyl-3,6-dihydro-6-(2-methylhexyl)-1,2-dioxin-3-acetic acid, Me ester 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030673	5,8-Dihydroxy-9,12-octadecadienoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030674	8,13-Dihydroxy-9,11-octadecadienoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030675	8-Hydroperoxy-9,12-octadecadienoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030676	9,10-Epoxy-18-hydroxy-12-octadecenoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030677	9,10-Epoxy-18-oxooctadecanoic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030678	9-Octadecenedioic acid 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030679	Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3H)-furanone; 13'R-Hydroxy 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030680	Haterumadioxin A; 9,10-Dihydro 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030681	Plakortic acid; Me ester 	C18H32O4	312.230059	NA	MeJP	NA	NA
+MJ030682	Tetrahydro-6-(1-hydroxyundecyl)-2H-pyran-2-one, Ac 	C18H32O4	312.230059	NA	MeJP	NA	NA
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	HMDB	NA	NA
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02777	octadec-9-ene-1,18-dioic-acid []	C18H32O4	312.23006	NA	metacyc	NA	NA
+MetaCyc02778	(9Z,12Z)-(11S)-11-hydroperoxyoctadeca-9,12-dienoate [11-hydroperoxyoctadeca-9,12-dienoic acid;]	C18H32O4	312.23006	NA	metacyc	NA	NA
+MetaCyc02779	(9Z,12Z)-(7S,8S)-11-dihydroxyoctadeca-9,12-dienoate []	C18H32O4	312.23006	NA	metacyc	NA	NA
+MetaCyc02780	9-hydroperoxyoctadeca-9,11-dienoate [9-hydroperoxyoctadeca-9,11-dienoic acid;]	C18H32O4	312.23006	NA	metacyc	NA	NA
+MetaCyc02781	13(S)-hydroperoxyoctadeca-9,11-dienoate [(9Z,11E)-(13S)-13-hydroperoxyoctadeca-9,11-dienoate;]	C18H32O4	312.23006	NA	metacyc	NA	NA
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.23006	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03871	13-L-Hydroperoxylinoleic acid	C18H32O4	312.23007	http://www.hmdb.ca/metabolites/HMDB03871	HMDB	NA	NA
+HMDB04706	8(R)-hydroperoxylinoleic acid	C18H32O4	312.23007	http://www.hmdb.ca/metabolites/HMDB04706	HMDB	NA	NA
+HMDB03871	13-L-Hydroperoxylinoleic acid	C18H32O4	312.23007	HMDB03871	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04706	8(R)-hydroperoxylinoleic acid	C18H32O4	312.23007	HMDB04706	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03871	13-L-Hydroperoxylinoleic acid	C18H32O4	312.230072	NA	HMDB2010	NA	NA
+HMDB04706	8(R)-Hydroperoxylinoleic acid	C18H32O4	312.230072	NA	HMDB2010	NA	NA
+HMDB06940	9(S)-HPODE	C18H32O4	312.230072	NA	HMDB2010	NA	NA
+HMDB10201	12,13-DiHODE	C18H32O4	312.230072	NA	HMDB2010	NA	NA
+HMDB10208	15,16-DiHODE	C18H32O4	312.230072	NA	HMDB2010	NA	NA
+HMDB10221	9,10-DiHODE	C18H32O4	312.230072	NA	HMDB2010	NA	NA
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.2301	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.2301	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.2301	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR120	13-HPODE(13-hydroperoxyoctadecadienoicacid)	C18H32O4	312.2301	Wishlist	Inhousejuil11	NA	NA
+C04717	(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid	C18H32O4	312.2301	NA	KEGG	NA	NA
+C07338	(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid	C18H32O4	312.2301	NA	KEGG	NA	NA
+C07354	(7S,8S)-DiHODE	C18H32O4	312.2301	NA	KEGG	NA	NA
+C14827	9(S)-HPODE	C18H32O4	312.2301	NA	KEGG	NA	NA
+C14831	8(R)-HPODE	C18H32O4	312.2301	NA	KEGG	NA	NA
+C14832	12,13-Epoxy-9-hydroxy-10-octadecenoate	C18H32O4	312.2301	NA	KEGG	NA	NA
+C14834	9,10-Epoxy-13-hydroxy-11-octadecenoate	C18H32O4	312.2301	NA	KEGG	NA	NA
+C14836	9,10-12,13-Diepoxyoctadecanoate	C18H32O4	312.2301	NA	KEGG	NA	NA
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR499	13-HPODE F1	NA	312.233125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ030683	Conkurchine 	C21H32N2	312.256549	NA	MeJP	NA	NA
+MJ030684	4,5-Dihydro-4-hydroxy-5-methyl-2-tetradecyl-2(3H)-furanone 	C19H36O3	312.266445	NA	MeJP	NA	NA
+MJ030685	6-Hydroxy-4-nonadecenoic acid 	C19H36O3	312.266445	NA	MeJP	NA	NA
+MJ030686	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol 	C19H36O3	312.266445	NA	MeJP	NA	NA
+C01607	Phytanate	C20H40O2	312.3028	NA	KEGG	NA	NA
+C06425	Icosanoic acid	C20H40O2	312.3028	NA	KEGG	NA	NA
+HMDB00417	3D,7D,11D-Phytanic acid	C20H40O2	312.302826	NA	HMDB2010	NA	NA
+HMDB00553	3L,7D,11D-Phytanic acid	C20H40O2	312.302826	NA	HMDB2010	NA	NA
+HMDB00801	Phytanic acid	C20H40O2	312.302826	NA	HMDB2010	NA	NA
+HMDB02212	Arachidic acid	C20H40O2	312.302826	NA	HMDB2010	NA	NA
+HMDB00801	Phytanic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB00801	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02212	Arachidic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB02212	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00417	3D,7D,11D-Phytanic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB00417	HMDB	NA	NA
+HMDB00553	3L,7D,11D-Phytanic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB00553	HMDB	NA	NA
+HMDB00801	Phytanic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB00801	HMDB	NA	NA
+HMDB02212	Arachidic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB02212	HMDB	NA	NA
+MJ030687	1-Octadecanol; Ac 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030688	1-Phytanoic acid 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030689	1-Phytene-3,4-diol 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030690	16-Methyloctadecanoic acid; Me ester 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030691	2,2,6,10,14-Pentamethylpentadecanoic acid 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030692	3(20)-Phytene-1,2-diol 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030693	4,6-Eicosanedione; 4-Alcohol 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030694	5,7-Eicosanedione; 5-Alcohol 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030695	Eicosanoic acid 	C20H40O2	312.30283	NA	MeJP	NA	NA
+MJ030696	Hexadecanoic acid; Butyl ester 	C20H40O2	312.30283	NA	MeJP	NA	NA
+HMDB00801	Phytanic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB00801	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02212	Arachidic acid	C20H40O2	312.30283	http://www.hmdb.ca/metabolites/HMDB02212	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00417	3D,7D,11D-Phytanic acid	C20H40O2	312.30283	HMDB00417	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00553	3L,7D,11D-Phytanic acid	C20H40O2	312.30283	HMDB00553	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00801	Phytanic acid	C20H40O2	312.30283	HMDB00801	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02212	Arachidic acid	C20H40O2	312.30283	HMDB02212	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02782	arachidate [arachidic acid;]	C20H40O2	312.302831	NA	metacyc	NA	NA
+MJ030697	2-(12-Aminotridecyl)pyrrolidine, N1-(2-Hydroxyethyl) 	C19H40N2O	312.314063	NA	MeJP	NA	NA
+MJ030698	4,5-Eicosanediamine 	C20H44N2	312.350449	NA	MeJP	NA	NA
+3791	NA	YPFSL	312.6495	MH2+	Inhouse_peptide	NA	peptide
+MJ030699	Eudistomin A; ?1'-Isomer, 3',4'-dihydro, deoxy 	C15H12BrN3	313.02146	NA	MeJP	NA	NA
+MJ030700	Eudistomin H 	C15H12BrN3	313.02146	NA	MeJP	NA	NA
+C16840	Eudistomin G	C15H12BrN3	313.0215	NA	KEGG	NA	NA
+C17168	Eudistomin H	C15H12BrN3	313.0215	NA	KEGG	NA	NA
+MJ030701	Rentiapril 	C13H15NO4S2	313.044249	NA	MeJP	NA	NA
+C14580	Isoxathion	C13H16NO4PS	313.0538	NA	KEGG	NA	NA
+C00968	3',5'-Cyclic dAMP	C10H12N5O5P	313.0576	NA	KEGG	NA	NA
+MJ030702	Bemesetron 	C15H17Cl2NO2	313.063634	NA	MeJP	NA	NA
+HMDB00999	Phosphoribosylformylglycineamidine	C8H16N3O8P	313.0675	http://www.hmdb.ca/metabolites/HMDB00999	HMDB	NA	NA
+HMDB02305	5'-phosphoribosyl-a-N-formylglycineamidine	C8H16N3O8P	313.0675	http://www.hmdb.ca/metabolites/HMDB02305	HMDB	NA	NA
+C04640	2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine	C8H16N3O8P	313.0675	NA	KEGG	NA	NA
+HMDB00999	Phosphoribosylformylglycineamidine	C8H16N3O8P	313.0675	HMDB00999	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02305	5'-phosphoribosyl-a-N-formylglycineamidine	C8H16N3O8P	313.0675	HMDB02305	PFEM_hmdb_metabocards_official	NA	NA
+MJ030703	2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine 	C8H16N3O8P	313.067501	NA	MeJP	NA	NA
+MetaCyc02783	5-phosphoribosyl-N-formylglycineamidine [2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine;5'-phosphoribosyl-N-formyl glycineamidine;FGAM;5-phosphoribosyl-N-formylglycineamidine;5'-phosphoribosylformylglycinamidine;]	C8H16N3O8P1	313.067501	NA	metacyc	NA	NA
+HMDB00999	Phosphoribosylformylglycineamidine	C8H16N3O8P	313.067505	NA	HMDB2010	NA	NA
+HMDB02305	5'-phosphoribosyl-a-N-formylglycineamidine	C8H16N3O8P	313.067505	NA	HMDB2010	NA	NA
+MJ030704	Chlorozotocin 	C9H16ClN3O7	313.067677	NA	MeJP	NA	NA
+C16628	Albendazole-beta-hydroxysulphone	C12H15N3O5S	313.0732	NA	KEGG	NA	NA
+C16629	Albendazole-gamma-hydroxysulphone	C12H15N3O5S	313.0732	NA	KEGG	NA	NA
+MJ030705	4-Amino-6-methoxy-1-phenylpyridazinium(1+); Methylsulfate 	C12H15N3O5S	313.073241	NA	MeJP	NA	NA
+MJ030706	Piclonidine 	C14H17Cl2N3O	313.074867	NA	MeJP	NA	NA
+MJ030707	Aspartic acid, N-(4-Hydroxy-3,5-dimethoxybenzoyl) 	C13H15NO8	313.079766	NA	MeJP	NA	NA
+MJ030708	5'-Thioadenosine; S-Me, S-oxide(R-) 	C11H15N5O4S	313.084474	NA	MeJP	NA	NA
+MJ030709	5'-Thioadenosine; S-Me, S-oxide(S-) 	C11H15N5O4S	313.084474	NA	MeJP	NA	NA
+MJ030710	Amphimedine 	C19H11N3O2	313.085126	NA	MeJP	NA	NA
+MJ030711	Flubendazole 	C16H12FN3O3	313.086269	NA	MeJP	NA	NA
+MJ030712	Flunitrazepam 	C16H12FN3O3	313.086269	NA	MeJP	NA	NA
+MJ030713	Molokaiamine; N2',N2',N3''-Tri-Me 	C14H22BrN2O	313.09155	NA	MeJP	NA	NA
+C10724	Melicopine	C17H15NO5	313.095	NA	KEGG	NA	NA
+MJ030714	Avenanthramide D, 3'-Methoxy 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030715	Benorilate 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030716	Melicopine 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030717	Parcetasal 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030718	Schumannificine; 7'-Deoxy, 3',7'-didehydro, N-Me 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030719	Tecleanthine 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030720	Xanthevodine; N-Me 	C17H15NO5	313.095022	NA	MeJP	NA	NA
+MJ030721	Pipethiadene 	C18H19NS2	313.09589	NA	MeJP	NA	NA
+MJ030722	Amoxapine 	C17H16ClN3O	313.098189	NA	MeJP	NA	NA
+MJ030723	11,12,13,13a-Tetrahydro-7-methoxy-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid 	C16H15N3O4	313.106255	NA	MeJP	NA	NA
+MJ030724	Mitonafide 	C16H15N3O4	313.106255	NA	MeJP	NA	NA
+HMDB10328	Tyramine glucuronide	C14H19NO7	313.11615	NA	HMDB2010	NA	NA
+MJ030725	2'-Amino-3'-hydroxyacetophenone; O-?-D-Glucopyranoside 	C14H19NO7	313.116151	NA	MeJP	NA	NA
+MJ030726	2-Hydroxy-2-phenylacetamide, O-?-D-Glucopyranoside 	C14H19NO7	313.116151	NA	MeJP	NA	NA
+MJ030727	Lithospermoside; 5-Deoxy 	C14H19NO7	313.116151	NA	MeJP	NA	NA
+MJ030728	Clathridine C 	C15H15N5O3	313.117489	NA	MeJP	NA	NA
+MJ030729	Norcisapride 	C14H20ClN3O3	313.119319	NA	MeJP	NA	NA
+C09032	Angustine	C20H15N3O	313.1215	NA	KEGG	NA	NA
+MJ030730	Angustine 	C20H15N3O	313.121512	NA	MeJP	NA	NA
+MJ030731	Ecopipam 	C19H20ClNO	313.123341	NA	MeJP	NA	NA
+CJpos0739	Dimethylguanosine [(M+H)]+ (18O)	C12H18N5O418O	313.126675	C18rt(min)=4.71 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0739	Dimethylguanosine [(M+H)]+ (18O)	C12H18N5O418O	313.126675	C18rt(min)=4.71 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C02717	N-Feruloyltyramine	C18H19NO4	313.1314	NA	KEGG	NA	NA
+C08513	Acetylcaranine	C18H19NO4	313.1314	NA	KEGG	NA	NA
+C11017	BAS 490 F	C18H19NO4	313.1314	NA	KEGG	NA	NA
+C16984	Laurolitsine	C18H19NO4	313.1314	NA	KEGG	NA	NA
+MJ030732	1,2,3,9-Tetrahydroxynoraporphine, 2,3-Di-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030733	1,2,3,9-Tetrahydroxynoraporphine, 1,2-Di-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030734	14-Hydroxycodeine; 6-Ketone 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030735	2,3,10,11-Tetrahydroxytetrahydroberberine, 2-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030736	2,3,10,11-Tetrahydroxytetrahydroberberine, 3-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030737	2-Amino-4-[3-(2-naphthyl)prop-2-enyl]pentane-1,5-dioic acid 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030738	4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030739	4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3-methoxy-Z-cinnamoyl) 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030740	?-(Methoxyimino)-2-[(2-methylphenoxy)methyl]benzeneacetic acid, Me ester 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030741	Boldine, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030742	Bracteoline, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030743	Caranine; Ac 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030744	Cephalotaxinone 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030745	Claviculine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030746	Corytuberine, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030747	Crinine, Ac 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030748	Cularine, O6,N-Di-de-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030749	Cularine, O6,O10-Di-de-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030750	Dopamine; N-(4-Methoxycinnamoyl)(Z-) 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030751	Erysodienone 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030752	Erysotramidine, O14-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030753	Erythrartine; 11-Ketone, O15-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030754	Erythrartine; 11-Ketone, O16-de-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030755	Erythratine; 2-Ketone 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030756	Erythrinine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030757	Flavinine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030758	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 7-O-(3-Methyl-2-butenyl), 4,6-di-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030759	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(3-Methyl-2-butenyl), 4,8-di-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030760	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 8-O-(3-Methyl-2-butenyl), 4,7-di-Me ether 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030761	Glaufine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030762	Hernovine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030763	Isoboldine, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030764	Isocephalotaxinone; Natural-form 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030765	Isocorytuberine, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030766	Lindcarpine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030767	Liriotulipiferine, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030768	Pachyconfine; N-Oxide 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030769	Pallidine; N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030770	Perfamine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030771	Rurrebanidine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030772	Salutaridine, N-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030773	Salutaridine, O6-De-Me 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030774	Tembamide, Ac 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030775	Yemensine 	C18H19NO4	313.131408	NA	MeJP	NA	NA
+MJ030776	Litcubine; 10-O-De-Me 	C18H20NO4(+)	313.131408	NA	MeJP	NA	NA
+MetaCyc02784	N-feruloyltyramine []	C18H19N1O4	313.131408	NA	metacyc	NA	NA
+PJ000258	GTH 	C12H19N5O5	313.1386	NA	PeJP	NA	NA
+MJ030777	Isolongistrobine 	C17H19N3O3	313.142641	NA	MeJP	NA	NA
+MJ030778	Longistrobine 	C17H19N3O3	313.142641	NA	MeJP	NA	NA
+MJ030779	Sematilide 	C14H23N3O3S	313.146012	NA	MeJP	NA	NA
+MJ030780	Sesbanimide C 	C15H23NO6	313.152537	NA	MeJP	NA	NA
+MJ030781	Dimabefylline 	C16H19N5O2	313.153874	NA	MeJP	NA	NA
+MJ030782	Copovithane 	C14H23N3O5	313.16377	NA	MeJP	NA	NA
+PJ000259	PPT 	C14H23N3O5	313.1638	NA	PeJP	NA	NA
+MJ030783	1-(3,4-Dihydroxyphenyl)-2-[(1-methyl-3-phenylpropyl)amino]-1-propanone 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030784	Anicanine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030785	Armepavine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030786	Bractazonine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030787	Bulbocodine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030788	Colchiethanamine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030789	Colchilutine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030790	Comosine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030791	Erysotrine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030792	Galanthamine, N-De-Me, N-(2-propenyl) 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030793	Gorchacoine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030794	Higenamine, O4',O6,N-Tri-Me 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030795	Higenamine, O4',O7,N-Tri-Me 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030796	Jolantamine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030797	Laurifonine; N-De-Me 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030798	Laurifonine; O3-De-Me 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030799	Linearisine; Me ether 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030800	Longifolidine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030801	Morphine, 3-Et ether 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030802	Neodihydrothebaine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030803	Oxyfedrine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030804	Peniamidienone 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030805	Piperettine; 6,7-Dihydro 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030806	Reboxetine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030807	Schelhammericine 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030808	Secoquettamine; Dihydro 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030809	Xenysalate 	C19H23NO3	313.167793	NA	MeJP	NA	NA
+MJ030810	Higenamine, O4',N,N-Tri-Me 	C19H24NO3(+)	313.167793	NA	MeJP	NA	NA
+MJ030811	Higenamine, O6,N,N-Tri-Me 	C19H24NO3(+)	313.167793	NA	MeJP	NA	NA
+MJ030812	Higenamine, O7,N,N-Tri-Me 	C19H24NO3(+)	313.167793	NA	MeJP	NA	NA
+MJ030813	Higenamine, O6,N,N-Tri-Me 	C19H24NO3(+)	313.167793	NA	MeJP	NA	NA
+MJ030814	Metocinium(1+) 	C19H24NO3(+)	313.167793	NA	MeJP	NA	NA
+C07537	Ethylmorphine	C19H23NO3	313.1678	NA	KEGG	NA	NA
+C09342	Armepavine	C19H23NO3	313.1678	NA	KEGG	NA	NA
+C09423	Erysotrine	C19H23NO3	313.1678	NA	KEGG	NA	NA
+C09565	Laurifine	C19H23NO3	313.1678	NA	KEGG	NA	NA
+C11780	6-Ethylmorphine	C19H23NO3	313.1678	NA	KEGG	NA	NA
+C15078	3-Methoxyestra-1,3,5(10)-triene-16,17-dione 16-oxime	C19H23NO3	313.1678	NA	KEGG	NA	NA
+MJ030815	Holidine; Parent acid, amide 	C18H23N3O2	313.179026	NA	MeJP	NA	NA
+MJ030816	Martensine A; 10-Ketone 	C18H23N3O2	313.179026	NA	MeJP	NA	NA
+MJ030817	Picrasidine K 	C18H23N3O2	313.179026	NA	MeJP	NA	NA
+C10324	Heliotrine	C16H27NO5	313.1889	NA	KEGG	NA	NA
+MJ030818	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 7-O-[2-Hydroxy-2-(1-hydroxyethyl)-3-methylpentanoyl] 	C16H27NO5	313.188922	NA	MeJP	NA	NA
+MJ030819	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, 9-O-[2-Hydroxy-2-(1-hydroxyethyl)-3-methylpentanoyl] 	C16H27NO5	313.188922	NA	MeJP	NA	NA
+MJ030820	Amabiline; 3'-Epimer, O3'-Me, N-oxide 	C16H27NO5	313.188922	NA	MeJP	NA	NA
+MJ030821	Europine; 7-Deoxy 	C16H27NO5	313.188922	NA	MeJP	NA	NA
+MJ030822	Heliotrine 	C16H27NO5	313.188922	NA	MeJP	NA	NA
+MJ030823	Indicine; 2' or 3'-Epimer, O3'-Me 	C16H27NO5	313.188922	NA	MeJP	NA	NA
+MJ030824	Indisetron 	C17H23N5O	313.19026	NA	MeJP	NA	NA
+PJ000260	PVV 	C15H27N3O4	313.2002	NA	PeJP	NA	NA
+MJ030825	1-Methyl-2-(9-oxodecyl)-4(1H)-quinolinone 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030826	2-Undecyl-4(1H)-quinolinone; 10'-Oxo 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030827	Alkaloid GB 16 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030828	Dienomycin C; O-(2-Methylpropanoyl) 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030829	Fenalcomine 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030830	Hetisan-1,15-diol 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030831	Hetisan-11,18-diol; 11?-form 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030832	Kobusine 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030833	Oxilorphan 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030834	Ryosenaminol; 2-Deoxy 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030835	Sanyonamine 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030836	Spiradine B 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030837	Spirasine XI; 6-Hydroxy 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030838	Talassamine 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030839	Venulol 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+MJ030840	Vetrabutine 	C20H27NO2	313.204179	NA	MeJP	NA	NA
+3628	NA	RKPKV	313.2045	MH2+	Inhouse_peptide	NA	peptide
+MJ030841	Acetylleucylargininal; L-DL-form 	C14H27N5O3	313.211389	NA	MeJP	NA	NA
+MJ030842	Acetylleucylargininal; L-L-form 	C14H27N5O3	313.211389	NA	MeJP	NA	NA
+MJ030843	Ricasetron 	C19H27N3O	313.215412	NA	MeJP	NA	NA
+CJpos0740	Decenoylcarnitine isomer [(M+H)]+	C17H32NO4	313.224775	C18rt(min)=8.17 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0741	Decenoylcarnitine isomer [(M+H)]+	C17H32NO4	313.224775	C18rt(min)=8.38 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0740	Decenoylcarnitine isomer [(M+H)]+	C17H32NO4	313.224775	C18rt(min)=8.17 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0741	Decenoylcarnitine isomer [(M+H)]+	C17H32NO4	313.224775	C18rt(min)=8.38 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB13205	9-Decenoylcarnitine	C17H31NO4	313.225311	NA	HMDB2010	NA	NA
+MJ030844	2-Undecyl-4(1H)-quinolinone; N-Me 	C21H31NO	313.240564	NA	MeJP	NA	NA
+MJ030845	3-Aminopregna-5,17(20)-dien-16-one 	C21H31NO	313.240564	NA	MeJP	NA	NA
+MJ030846	Cogazocine 	C21H31NO	313.240564	NA	MeJP	NA	NA
+MJ030847	Malarboreine; 4,5?,6,7-Tetrahydro 	C21H31NO	313.240564	NA	MeJP	NA	NA
+MJ030848	Ormojanine 	C20H31N3	313.251798	NA	MeJP	NA	NA
+MJ030849	Isoprosopinine A 	C18H35NO3	313.261693	NA	MeJP	NA	NA
+MJ030850	Isoprosopinine B; Natural-form 	C18H35NO3	313.261693	NA	MeJP	NA	NA
+MJ030851	Prosopine; 11'-Ketone 	C18H35NO3	313.261693	NA	MeJP	NA	NA
+MJ030852	Prosopinine 	C18H35NO3	313.261693	NA	MeJP	NA	NA
+MJ030853	Spicigerine 	C18H35NO3	313.261693	NA	MeJP	NA	NA
+C10167	(+)-Prosopinine	C18H35NO3	313.2617	NA	KEGG	NA	NA
+MJ030854	Julifloridine, N-Me 	C19H39NO2	313.298079	NA	MeJP	NA	NA
+MJ030855	Solacaproine 	C18H39N3O	313.309312	NA	MeJP	NA	NA
+3815	NA	WYYP	313.6285	MH2+	Inhouse_peptide	NA	peptide
+8241	Antioxidative peptide	LGFEY	313.639	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc02785	tiron [Tiferron;1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt;1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt;3,5-disulfocatechol disodium salt;4,5-dihydroxy-m-benzenedisulfonic acid disodium salt;dihydroxy benzene disulfonate disodium salt;disodium 1,2-dihydroxybenzene-3,5-disulfonate;disodium 4,5-dihydroxy-m-benzenedisulfonate;disodium 4,5-dihydroxybenzene-1,3-disulfonate;sodium 1,2-dihydroxy-3,5-benzenedisulfonate;sodium 1,2-dihydroxybenzenedisulfonate;sodium 4,5-dihydroxybenzene-1,3-disulfonate;sodium catechol sulfate;sodium pyrocatechol-3,5-disulfonate;disodium pyrocatechol-3,5-disulfonate;]	C6H4O8NA2S2	313.914298	NA	metacyc	NA	NA
+C11159	Tiron	C6H4O8S2	313.9143	NA	KEGG	NA	NA
+MJ030856	1,1-Dibromo-2-heptanol, Ac 	C9H16Br2O2	313.951705	NA	MeJP	NA	NA
+MJ030857	Dichlofenthion 	C10H13Cl2O3PS	313.970006	NA	MeJP	NA	NA
+MJ030858	N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea 	C13H9Cl3N2O	313.978046	NA	MeJP	NA	NA
+MJ030859	Chlorophenylmercury 	C6H5ClHg	313.978603	NA	MeJP	NA	NA
+MJ030860	Loflucarban 	C13H9Cl2FN2S	313.984752	NA	MeJP	NA	NA
+MJ030861	4-[(Carboxymethyl)imino]-5,7-dichloro-1,4-dihydro-2-quinolinecarboxylic acid 	C12H8Cl2N2O4	313.986112	NA	MeJP	NA	NA
+MJ030862	1,2-Dihydro-4-iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 	C11H11IN2O	313.991606	NA	MeJP	NA	NA
+MJ030863	Ellagic acid; 2,3-Methylene ether 	C15H6O8	314.006267	NA	MeJP	NA	NA
+MJ030864	8-Chloro-7-(dichloromethyl)-1-hydroxy-3-methyl-7-octen-4-one, Ac 	C12H17Cl3O3	314.024327	NA	MeJP	NA	NA
+FL5FEANS0019	Gomphrenol	C16H10O7	314.04265	70610-25-2	knapsack	NA	NA
+FL5FPTNS0001	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one	C16H10O7	314.04265	77394-26-4	knapsack	NA	NA
+FL5FPTNS0004	Fasciculiferin;2,3,5,10-Tetrahydroxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one	C16H10O7	314.04265	73774-81-9	knapsack	NA	NA
+FLIAQUNS0001	5-Hydroxybowdichione	C16H10O7	314.04265	112448-38-1	knapsack	NA	NA
+FLIECCNS0001	Wedelolactone;1,8,9-Trihydroxy-3-methoxycoumestan;5,11,12-Trihydroxy-7-methoxycoumestan	C16H10O7	314.04265	524-12-9	knapsack	NA	NA
+MJ030865	1,2,3,6,7-Pentahydroxyxanthone; 2,3:6,7-Bis(methylene), 1-Me ether 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030866	1,2,3,7,8-Pentahydroxyxanthone; 2,3:7,8-Bis(methylene), 1-Me ether 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030867	1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone; 1'-Aldehyde, 6-Me ether 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030868	1,3,8,9-Tetrahydroxycoumestan; 3-Me ether 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030869	1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030870	1-Acetyl-2,4,5,7-tetrahydroxyanthraquinone 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030871	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030872	2,7-Dihydroxy-6-(4-hydroxy-6-oxopyran-2-yl)-5-methyl-1,4-naphthoquinone 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030873	2-Acetyl-1,3,6,8-tetrahydroxyanthraquinone 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030874	3,4',5,6,7-Pentahydroxyflavone; 6,7-Methylene ether 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030875	3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030876	4,5,7-Trihydroxyanthraquinone-2-carboxylic acid; 7-Me ether 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030877	Ayamenin B; 8-Hydroxy, 2-methoxy 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030878	Bowdichione; 5-Hydroxy 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030879	Desmoxyphyllin B; 5-Hydroxy 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030880	Fasciculiferin 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030881	Majoronal 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030882	Porphyrilic acid 	C16H10O7	314.042652	NA	MeJP	NA	NA
+MJ030883	Variolaric acid 	C16H10O7	314.042652	NA	MeJP	NA	NA
+C10541	Wedelolactone	C16H10O7	314.0427	NA	KEGG	NA	NA
+MJ030884	Perforene 	C15H20BrCl	314.04369	NA	MeJP	NA	NA
+C06921	Clorazepate	C16H11ClN2O3	314.0458	NA	KEGG	NA	NA
+MJ030885	Clorazepic acid 	C16H11ClN2O3	314.045819	NA	MeJP	NA	NA
+MJ030886	Tesicam 	C16H11ClN2O3	314.045819	NA	MeJP	NA	NA
+C04376	5'-Phosphoribosyl-N-formylglycinamide	C8H15N2O9P	314.0515	NA	KEGG	NA	NA
+HMDB01308	5'-Phosphoribosyl-N-formylglycinamide	C8H15N2O9P	314.05151	http://www.hmdb.ca/metabolites/HMDB01308	HMDB	NA	NA
+HMDB01308	5'-Phosphoribosyl-N-formylglycinamide	C8H15N2O9P	314.05151	HMDB01308	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01308	5'-Phosphoribosyl-N-formylglycinamide	C8H15N2O9P	314.051514	NA	HMDB2010	NA	NA
+MJ030887	5'-Phosphoribosyl-N-formylglycinamide 	C8H15N2O9P	314.051516	NA	MeJP	NA	NA
+MetaCyc02786	5'-phosphoribosyl-N-formylglycineamide [N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide;5'-P-ribosyl-N-formylglycineamide;5'-phosphoribosyl-N-formylglycinamide;5'-phosphoribosyl-N-formylglycineamide;FGAR;5-phosphoribosyl-N-formalglycineamide;5'-phosphoribosyl-formylglycinamide;]	C8H15N2O9P1	314.051517	NA	metacyc	NA	NA
+MJ030888	Lomofungin 	C15H10N2O6	314.053886	NA	MeJP	NA	NA
+MJ030889	4,9-Dihydroxy-3,10-perylenedione 	C20H10O4	314.057908	NA	MeJP	NA	NA
+C07498	Malaoxon	C10H19O7PS	314.0589	NA	KEGG	NA	NA
+MJ030890	4-[4-(Methylthio)phenyl]-3-phenyl-2(5H)-furanone; S,S-Dioxide 	C17H14O4S	314.061279	NA	MeJP	NA	NA
+MJ030891	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Hydroxy, di-Ac 	C17H14O4S	314.061279	NA	MeJP	NA	NA
+C07590	Rofecoxib	C17H14O4S	314.0613	NA	KEGG	NA	NA
+C11185	Nuarimol	C17H12ClFN2O	314.0622	NA	KEGG	NA	NA
+HMDB10313	1-Salicylate glucuronide	C13H14O9	314.063782	NA	HMDB2010	NA	NA
+HMDB10314	Beta-D-Glucopyranuronic acid	C13H14O9	314.063782	NA	HMDB2010	NA	NA
+MJ030892	Bergenin; O-De-Me 	C13H14O9	314.063782	NA	MeJP	NA	NA
+C06939	Dantrolene	C14H10N4O5	314.0651	NA	KEGG	NA	NA
+MJ030893	Dantrolene 	C14H10N4O5	314.065119	NA	MeJP	NA	NA
+C00341	Geranyl diphosphate	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C00342	Thioredoxin	C10H14N4O4S2R4	314.0684	NA	KEGG	NA	NA
+C00343	Thioredoxin disulfide	C10H12N4O4S2R4	314.0684	NA	KEGG	NA	NA
+C00344	Phosphatidylglycerol	C8H13O10PR2	314.0684	NA	KEGG	NA	NA
+C02569	Neryl diphosphate	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C03190	(+)-Bornyl-diphosphate	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C03193	(5-L-Glutamyl)-peptide	C7H11N2O5R	314.0684	NA	KEGG	NA	NA
+C05308	Linalyl diphosphate	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C05309	Semiquinone	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C05310	Ferricytochrome c-552.5	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C05312	[Formate C-acetyltransferase]-glycin-2-yl radical	C3H3N2O2R2	314.0684	NA	KEGG	NA	NA
+C18051	Chrysanthemyl diphosphate	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+C18052	Lavandulyl diphosphate	C10H20O7P2	314.0684	NA	KEGG	NA	NA
+HMDB02239	Geranyl pyrophosphate	C10H20O7P2	314.06842	http://www.hmdb.ca/metabolites/HMDB02239	HMDB	NA	NA
+HMDB02239	Geranyl pyrophosphate	C10H20O7P2	314.06842	HMDB02239	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01285	Geranyl-PP	C10H20O7P2	314.06842	NA	HMDB2010	NA	NA
+MJ030894	Geranyl diphosphate 	C10H20O7P2	314.068426	NA	MeJP	NA	NA
+MetaCyc02787	geranyl-PP [GPP;geranyl-diphosphate;geranyl-pyrophosphate;]	C10H20O7P2	314.068426	NA	metacyc	NA	NA
+MetaCyc02788	nerylpyrophosphate [neryldiphosphate;NPP;]	C10H20O7P2	314.068426	16751-02-3	metacyc	NA	NA
+MetaCyc02789	(+)-bornyl-diphosphate []	C10H20O7P2	314.068426	NA	metacyc	NA	NA
+HMDB05033	Valdecoxib	C16H14N2O3S	314.07251	http://www.hmdb.ca/metabolites/HMDB05033	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05033	Valdecoxib	C16H14N2O3S	314.07251	http://www.hmdb.ca/metabolites/HMDB05033	HMDB	NA	NA
+HMDB05033	Valdecoxib	C16H14N2O3S	314.07251	http://www.hmdb.ca/metabolites/HMDB05033	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05033	Valdecoxib	C16H14N2O3S	314.07251	HMDB05033	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05033	Valdecoxib	C16H14N2O3S	314.07251	NA	HMDB2010	NA	NA
+MJ030895	Valdecoxib 	C16H14N2O3S	314.072513	NA	MeJP	NA	NA
+MJ030896	Nikkomycin Sox; 6-Deoxy 	C12H14N2O8	314.075015	NA	MeJP	NA	NA
+MJ030897	Nikkomycin Soz; 6-Deoxy 	C12H14N2O8	314.075015	NA	MeJP	NA	NA
+C10407	Ventinone A	C17H14O6	314.079	NA	KEGG	NA	NA
+C10471	Irisolidone	C17H14O6	314.079	NA	KEGG	NA	NA
+C10516	Pisatin	C17H14O6	314.079	NA	KEGG	NA	NA
+C15100	6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O6	314.079	NA	KEGG	NA	NA
+C16418	Pinobanksin 3-O-acetate	C17H14O6	314.079	NA	KEGG	NA	NA
+C16753	Aflatoxin B2	C17H14O6	314.079	NA	KEGG	NA	NA
+C17784	4'-Methylcapillarisin	C17H14O6	314.079	NA	KEGG	NA	NA
+C17785	7-Methylcapillarisin	C17H14O6	314.079	NA	KEGG	NA	NA
+FL1ABCNM0001	6,3',4'-Trihydroxy-4-methoxy-5-methylaurone	C17H14O6	314.07903	171204-57-2	knapsack	NA	NA
+FL1ABCNM0002	6,3',4'-Trihydroxy-4-methoxy-7-methylaurone	C17H14O6	314.07903	213979-98-7	knapsack	NA	NA
+FL1C2CNS0002	Prosogerin B	C17H14O6	314.07903	70981-47-4	knapsack	NA	NA
+FL1CEANS0004	4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone	C17H14O6	314.07903	73694-19-6	knapsack	NA	NA
+FL1CHYNM0002	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone	C17H14O6	314.07903	59677-76-8	knapsack	NA	NA
+FL1CQUNS0002	Methylpedicinin	C17H14O6	314.07903	77646-06-1	knapsack	NA	NA
+FL3F2CNS0001	Abrectorin	C17H14O6	314.07903	76575-03-6	knapsack	NA	NA
+FL3FAFNS0001	Luteolin 3',4'-dimethyl ether;5,7-Dihydroxy-3',4'-dimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	03/12/4712	knapsack	NA	NA
+FL3FBDNS0001	Luteolin 5,3'-dimethyl ether;Chrysoeriol 5-methyl ether;7-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	62346-14-9	knapsack	NA	NA
+FL3FBENS0001	7,3'-Dihydroxy-5,4'-dimethoxyflavone;7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	72629-61-9	knapsack	NA	NA
+FL3FCCNM0001	5,3',4'-Trihydroxy-7-methoxy-6-methylflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	630426-79-8	knapsack	NA	NA
+FL3FCDNS0001	Velutin;Flavoyadorigenin B;Luteolin 7,3'-dimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	25739-41-7	knapsack	NA	NA
+FL3FCENS0001	Pilloin;5,3'-Dihydroxy-7,4'-dimethoxyflavone;Luteolin 7,4'-dimethyl ether;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	32174-62-2	knapsack	NA	NA
+FL3FEANS0005	Cirsimaritin	C17H14O6	314.07903	6601-62-3	knapsack	NA	NA
+FL3FEANS0006	Pectolinarigenin	C17H14O6	314.07903	520-12-7	knapsack	NA	NA
+FL3FEANS0007	Ladanein	C17H14O6	314.07903	10176-71-3	knapsack	NA	NA
+FL3FF8NS0003	Skullcapflavone I;5-Hydroxy-2-(2-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	41060-16-6	knapsack	NA	NA
+FL3FF8NS0004	5,7-Dihydroxy-8,2'-dimethoxyflavone	C17H14O6	314.07903	95480-81-2	knapsack	NA	NA
+FL3FFANS0005	Isoscutellarein 7,8-dimethyl ether	C17H14O6	314.07903	6608-33-9	knapsack	NA	NA
+FL3FFANS0006	Bucegin;Galangustin;5,7-Dihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O6	314.07903	65501-87-3	knapsack	NA	NA
+FL3FFANS0008	5,8-dihydroxy-7,4'-dimethoxyflavone;5,8-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O6	314.07903	89456-41-7	knapsack	NA	NA
+FL3FG9NS0001	5,8-Dihydroxy-6,7-dimethoxyflavone;5,8-Dihydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	73202-52-5	knapsack	NA	NA
+FL3FG9NS0005	5,7-Dihydroxy-6,8-dimethoxyflavone	C17H14O6	314.07903	-	knapsack	NA	NA
+FL4DA9NS0006	(2R,3R)-Pinobanksin 3-acetate	C17H14O6	314.07903	52117-69-8	knapsack	NA	NA
+FL4DA9NS0007	(2R,3S)-Pinobanksin 3-acetate	C17H14O6	314.07903	102092-27-3	knapsack	NA	NA
+FL4DE9NS0003	3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone	C17H14O6	314.07903	83532-20-1	knapsack	NA	NA
+FL5F2ANS0001	7,4'-Dihydroxy-3,6-dimethoxyflavone	C17H14O6	314.07903	68007-24-9	knapsack	NA	NA
+FL5F3ANS0003	3,4'-Dihydroxy-7,8-dimethoxyflavone	C17H14O6	314.07903	57499-07-7	knapsack	NA	NA
+FL5F9CNM0001	Sylpin	C17H14O6	314.07903	65501-41-9	knapsack	NA	NA
+FL5FBBNS0001	3,7-Dihydroxy-5,4'-dimethoxyflavone;3,7-Dihydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O6	314.07903	33554-54-0	knapsack	NA	NA
+FL5FCBNS0001	Kaempferol 7,4'-dimethyl ether;3,5-Dihydroxy-7,4'-dimethoxyflavone;3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O6	314.07903	15486-33-6	knapsack	NA	NA
+FL5FDANM0001	5,7,4'-Trihydroxy-3-methoxy-6-methylflavone	C17H14O6	314.07903	70059-33-5	knapsack	NA	NA
+FL5FDANS0002	Kaempferol 3,5-dimethyl ether;7,4'-Dihydroxy-3,5-dimethoxyflavone;7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	1486-65-3	knapsack	NA	NA
+FL5FDANS0003	Kumatakenin;Kumatakillin;5,4'-Dihydroxy-3,7-dimethoxyflavone;Jaranol;Kaempferol 3,7-O-dimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O6	314.07903	3301-49-3	knapsack	NA	NA
+FL5FDBNS0001	Ermanin;5,7-Dihydroxy-3,4'-dimethoxyflavone;Kaempferol 3,4'-di-O-methyl ether;5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O6	314.07903	20869-95-8	knapsack	NA	NA
+FL5FE9NS0003	5,7-Dihydroxy-3,6-dimethoxyflavone;3-O-Methylalnusin;Alnusin 3-methyl ether;5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	59917-40-7	knapsack	NA	NA
+FL5FE9NS0004	5,6-Dihydroxy-3,7-dimethoxyflavone;5,6-Dihydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	73213-67-9	knapsack	NA	NA
+FL5FE9NS0005	3,7-Dihydroxy-5,6-dimethoxyflavone;3,7-Dihydroxy-5,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	84323-36-4	knapsack	NA	NA
+FL5FE9NS0006	3,6-Dihydroxy-5,7-dimethoxyflavone	C17H14O6	314.07903	-	knapsack	NA	NA
+FL5FE9NS0007	3,5-Dihydroxy-6,7-dimethoxyflavone	C17H14O6	314.07903	122006-31-9	knapsack	NA	NA
+FL5FF9NM0002	Platanin 3-methyl ether	C17H14O6	314.07903	135905-59-8	knapsack	NA	NA
+FL5FF9NM0003	3,5,8-Trihydroxy-7-methoxy-6-methylflavone	C17H14O6	314.07903	97208-76-9	knapsack	NA	NA
+FL5FF9NM0004	Pityrogrammin	C17H14O6	314.07903	55601-60-0	knapsack	NA	NA
+FL5FF9NS0005	Isognaphaliin;5,8-Dihydroxy-3,7-dimethoxyflavone;5,8-Dihydroxy-3,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	33803-31-5	knapsack	NA	NA
+FL5FF9NS0006	Gnaphaliin;5,7-Dihydroxy-3,8-dimethoxyflavone;3-O-Methyl-8-methoxygalangin;5,7-Dihydroxy-3,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	33803-42-8	knapsack	NA	NA
+FL5FF9NS0007	3,5-Dihydroxy-7,8-dimethoxyflavone;3,5-Dihydroxy-7,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O6	314.07903	22399-73-1	knapsack	NA	NA
+FLIA2CNS0002	Odoratin	C17H14O6	314.07903	53948-00-8	knapsack	NA	NA
+FLIA2LNS0006	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone	C17H14O6	314.07903	73354-23-1	knapsack	NA	NA
+FLIA3CNS0002	3'-Hydroxy-8-O-methylretusin	C17H14O6	314.07903	53947-99-2	knapsack	NA	NA
+FLIA4ANS0001	Dipteryxin	C17H14O6	314.07903	53948-01-9	knapsack	NA	NA
+FLIAAFNS0001	Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone	C17H14O6	314.07903	53084-11-0	knapsack	NA	NA
+FLIAALNS0004	2'-Methoxybiochanin A;5,7-Dihydroxy-2',4'-dimethoxyisoflavone	C17H14O6	314.07903	61243-75-2	knapsack	NA	NA
+FLIAALNS0008	2',4'-Dihydroxy-5,7-dimethoxyisoflavone	C17H14O6	314.07903	131862-36-7	knapsack	NA	NA
+FLIACDNS0001	7,3'-Dimethylorobol;5,4'-Dihydroxy-7,3'-dimethoxyisoflavone	C17H14O6	314.07903	104668-88-4	knapsack	NA	NA
+FLIACENS0001	5,3'-Dihydroxy-7,4'-dimethoxyisoflavone	C17H14O6	314.07903	83459-56-7	knapsack	NA	NA
+FLIAE8NS0005	5,7-Dihydroxy-6,2'-dimethoxyisoflavone	C17H14O6	314.07903	94285-21-9	knapsack	NA	NA
+FLIAEANS0002	Irisolidone;4'-O-Methyltectorigenin;5,7-Dihydroxy-6,4'-dimethoxyisoflavone	C17H14O6	314.07903	2345-17-7	knapsack	NA	NA
+FLIAEANS0006	7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone	C17H14O6	314.07903	1096-58-8	knapsack	NA	NA
+FLIAEANS0007	Muningin;6,4'-Dihydroxy-5,7-dimethoxyisoflavone	C17H14O6	314.07903	479-83-4	knapsack	NA	NA
+FLIAF8NS0001	5,2'-Dihydroxy-7,8-dimethoxyisoflavone	C17H14O6	314.07903	115713-23-0	knapsack	NA	NA
+FLIB1LNS0007	Onogenin;7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone	C17H14O6	314.07903	58116-57-7	knapsack	NA	NA
+FLID2CNS0001	2-Hydroxyhomopterocarpin	C17H14O6	314.07903	30461-92-8	knapsack	NA	NA
+FLID3CNS0002	4-Methoxymaackiain	C17H14O6	314.07903	2694-69-1	knapsack	NA	NA
+FLID3CNS0003	4-Hydroxypterocarpin	C17H14O6	314.07903	69626-65-9	knapsack	NA	NA
+FLIDHXNS0001	(+)-Pisatin;6a-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan	C17H14O6	314.07903	469-01-2	knapsack	NA	NA
+FLIDHYNS0004	Sophoracarpan B;6-Methoxymaackiain;(6R,6aS,11aR)-3-Hydroxy-6-methoxy-8,9-methylenedioxypterocarpan	C17H14O6	314.07903	104700-88-1	knapsack	NA	NA
+FLNA2CNS0001	Melannein;6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin	C17H14O6	314.07903	10386-55-7	knapsack	NA	NA
+FLNABENS0001	7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin	C17H14O6	314.07903	91780-05-1	knapsack	NA	NA
+FLNACENS0001	5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin	C17H14O6	314.07903	117783-75-2	knapsack	NA	NA
+FLNADCNS0001	3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin	C17H14O6	314.07903	88126-47-0	knapsack	NA	NA
+MJ030898	1,2,3,4-Tetrahydroxyanthraquinone; 1,3,4-Tri-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030899	1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 1,2-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030900	1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 1,3-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030901	1,2,3,5-Tetrahydroxy-6-methylanthraquinone; 2,3-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030902	1,2,3,8-Tetrahydroxy-6-methylanthraquinone; 1,3-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030903	1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 1,2-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030904	1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 1,3-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030905	1,2,3,8-Tetrahydroxy-7-methylanthraquinone; 2,3-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030906	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 1,2-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030907	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2,5-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030908	1,2,5-Trihydroxy-6-hydroxymethylanthraquinone; 1,2-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030909	1,2,6,8-Tetrahydroxyanthraquinone; 1,6,8-Tri-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030910	1,2,6,8-Tetrahydroxyanthraquinone; 2,6,8-Tri-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030911	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030912	1,3,8-Trihydroxy-6-(3-hydroxypropyl)anthraquinone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030913	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 1',8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030914	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 1,3-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030915	1,4,5,7-Tetrahydroxy-2,3-dimethylanthraquinone; 7-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030916	1,4,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030917	1-(3-Formyl-2,4,6-trihydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030918	2',3',4',7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030919	2',3',4,4',6'-Pentahydroxychalcone; 6'-Me, 3',4'-methylene ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030920	2',3,4,4',5'-Pentahydroxychalcone; 5'-Me, 3,4-methylene ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030921	2',4',5',7-Tetrahydroxyisoflavanone, 4',5'-Methylene, 2'-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030922	2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030923	2',4',5,7-Tetrahydroxyisoflavone; 2',4'-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030924	2',4',5,7-Tetrahydroxyisoflavone; 2',5-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030925	2',4',5,7-Tetrahydroxyisoflavone; 4',7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030926	2',4',5,7-Tetrahydroxyisoflavone; 5,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030927	2',4',6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030928	2',5,6,7-Tetrahydroxyisoflavone; 2',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030929	2',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030930	2',5,7,8-Tetrahydroxyflavone; 2',8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030931	2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030932	2',5,7,8-Tetrahydroxyisoflavone; 7,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030933	2,3,4,7-Tetrahydroxyphenanthraquinone; 3,4,7-Tri-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030934	2,3,6,7-Tetrahydroxy-1,4-phenanthraquinone; 2,3,6-Tri-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030935	2,3,8,9-Tetrahydroxypterocarpan; 2-Me, 8,9-methylene ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030936	2,3,8,9-Tetrahydroxypterocarpan; 3-Me, 8,9-methylene ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030937	2,5,6,7-Tetrahydroxy-4-phenanthrenecarboxylic acid; 6,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030938	2,5,7-Trihydroxy-6-methyl-4H-1-benzopyran-4-one; 2-(4-Hydroxyphenyl), 7-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030939	2-(3,4-Dihydroxyphenyl)ethenol, 1-O-3,4-Dihydroxycinnamoyl(E-) 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030940	3',4',5',7-Tetrahydroxyisoflavone; 3',5'-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030941	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030942	3',4',5,7-Tetrahydroxyisoflavone; 3',5-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030943	3',4',5,7-Tetrahydroxyisoflavone; 3',7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030944	3',4',6,7-Tetrahydroxyflavone; 3',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030945	3',4',6,7-Tetrahydroxyflavone; 4',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030946	3',4',6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030947	3',4',7,8-Tetrahydroxyisoflavone; 4',7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030948	3',4',7,8-Tetrahydroxyisoflavone; 4',8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030949	3',4'-Dihydroxy-5,7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030950	3',4,4',6-Tetrahydroxy-5-methylaurone; 4-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030951	3',5-Dihydroxy-4',7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030952	3',7-Dihydroxy-4',5-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030953	3,3',4',7-Tetrahydroxyflavanone, 3',4'-Methylene ether , 7-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030954	3,3',4',7-Tetrahydroxyflavone; 7-Et ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030955	3,4',5,6-Tetrahydroxy-8-methylflavone; 3-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030956	3,4',5,6-Tetrahydroxyflavone; 3,6-Di Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030957	3,4',5,7-Tetrahydroxy-6-methylflavone; 3-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030958	3,4',6,7-Tetrahydroxyflavone; 3,6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030959	3,4',7,8-Tetrahydroxyflavone; 7,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030960	3,4',7-Trihydroxyflavanone, 3-Ac 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030961	3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 3-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030962	3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 4-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030963	3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 3-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030964	3,5,6,7-Tetrahydroxyflavanone, 5-Me, 6,7-methylene ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030965	3,5,6,7-Tetrahydroxyflavone; 3,6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030966	3,5,6,7-Tetrahydroxyflavone; 3,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030967	3,5,6,7-Tetrahydroxyflavone; 5,6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030968	3,5,6,7-Tetrahydroxyflavone; 5,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030969	3,5,6,7-Tetrahydroxyflavone; 6,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030970	3,5,7,8-Tetrahydroxy-6-methylflavone; 3-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030971	3,5,7,8-Tetrahydroxy-6-methylflavone; 7-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030972	3,5,7,8-Tetrahydroxy-6-methylflavone; 8-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030973	3,5,7,8-Tetrahydroxyflavone; 3,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030974	3,5,7,8-Tetrahydroxyflavone; 3,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030975	3,5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030976	3,5,7-Trihydroxyflavanone, 3-Ac 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030977	3,5-Dihydroxy-4',7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030978	3,6a,8,9-Tetrahydroxypterocarpan, 3-Me, 8,9-methylene ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030979	3,8-Dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylic acid; Me ester, 3-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030980	3-(3,4-Dihydroxybenzylidene)-5,7-dihydroxy-4-chromanone, 5-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030981	4',5,6,7-Tetrahydroxyflavone; 4',5-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030982	4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030983	4',5,6,7-Tetrahydroxyisoflavone; 5,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030984	4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030985	4',5,7,8-Tetrahydroxyflavone; 4',7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030986	4',5,7,8-Tetrahydroxyflavone; 4',8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030987	4',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030988	4',5,7,8-Tetrahydroxyisoflavone; 4',8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030989	4',5-Dihydroxy-3',7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030990	4',5-Dihydroxy-3,7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030991	4',5-Dihydroxy-6,7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030992	4',6,7,8-Tetrahydroxyisoflavone; 4',6-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030993	4',7-Dihydroxy-3',5-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030994	4',7-Dihydroxy-3,5-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030995	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 4',5-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030996	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030997	4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 4',7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030998	5,6,7,8-Tetrahydroxyflavone; 6,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ030999	5,6,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031000	5,6,7,8-Tetrahydroxyisoflavone; 6,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031001	5,6-Dihydroxy-4',7-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031002	5,7,8-Trihydroxy-3-(4-hydroxybenzylidene)-4-chromanone; 8-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031003	5,7,8-Trihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 5,7-Di-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031004	5,7-Dihydroxy-3',4'-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031005	5,7-Dihydroxy-3,4'-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031006	5,7-Dihydroxy-4',6-dimethoxyflavone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031007	8-Formyl-2,5,7-trihydroxy-6-methylflavanone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031008	Aflatoxicol 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031009	Aflatoxin B1, 15,16-Dihydro 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031010	Aglalactone 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031011	Brahene 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031012	Eucomin, 6-Methoxy, 4'-O-de-Me 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031013	Flavidin; 5-Oxo, 8-methoxy, 6-hydroxy, 7-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031014	Gliricidol 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031015	Involutin 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031016	Isorhodoptilometrin; Opt. active-form 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031017	Muscomosin 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031018	Pedicinin; 6'-Me ether 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031019	Punctatin 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031020	Rhodoptilometrin 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031021	Salvianolic acid F 	C17H14O6	314.079038	NA	MeJP	NA	NA
+MJ031022	3',4',5,6,7-Pentahydroxyflavylium(1+); 4',5-Di-Me ether 	C17H15O6(+)	314.079038	NA	MeJP	NA	NA
+MetaCyc02790	(+)-pisatin []	C17H14O6	314.079038	NA	metacyc	NA	NA
+MJ031023	Sulfenosine 	C10H14N6O4S	314.079723	NA	MeJP	NA	NA
+MJ031024	Sulfaphenazole 	C15H14N4O2S	314.083746	NA	MeJP	NA	NA
+MJ031025	10-Bromo-1,7(14)-chamigradiene-3,9-diol 	C15H23BrO2	314.088142	NA	MeJP	NA	NA
+MJ031026	Aplysistatin; 12-Deoxo 	C15H23BrO2	314.088142	NA	MeJP	NA	NA
+MJ031027	Guimarediol 	C15H23BrO2	314.088142	NA	MeJP	NA	NA
+MJ031028	Cinnabarine; N-Me, Me ester 	C16H14N2O5	314.090271	NA	MeJP	NA	NA
+MJ031029	Nybomycin; 1'-Hydroxy 	C16H14N2O5	314.090271	NA	MeJP	NA	NA
+C12767	Dibenzthion	C17H18N2S2	314.0911	NA	KEGG	NA	NA
+MJ031030	Sulbentine 	C17H18N2S2	314.091139	NA	MeJP	NA	NA
+MJ031031	Crotoxyphos 	C14H19O6P	314.091924	NA	MeJP	NA	NA
+C09358	Chlorochrymorin	C15H19ClO5	314.0921	NA	KEGG	NA	NA
+MJ031032	1-Chloro-3,4-epoxy-2,10-dihydroxy-11(13)-guaien-12,6-olide 	C15H19ClO5	314.092101	NA	MeJP	NA	NA
+MJ031033	14-Chloro-3,5,10-trihydroxy-4(15),11(13)-guaiadien-12,8-olide 	C15H19ClO5	314.092101	NA	MeJP	NA	NA
+MJ031034	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide 	C15H19ClO5	314.092101	NA	MeJP	NA	NA
+MJ031035	3-Chloro-1,2-epoxy-4,10-dihydroxy-11(13)-guaien-12,6-olide 	C15H19ClO5	314.092101	NA	MeJP	NA	NA
+MJ031036	4-Chloro-1,2-epoxy-3,10-dihydroxy-11(13)-guaien-12,6-olide 	C15H19ClO5	314.092101	NA	MeJP	NA	NA
+MJ031037	Chlorochrymorin 	C15H19ClO5	314.092101	NA	MeJP	NA	NA
+C17372	Epithienamycin A	C13H18N2O5S	314.0936	NA	KEGG	NA	NA
+C17377	N-Acetylthienamycin	C13H18N2O5S	314.0936	NA	KEGG	NA	NA
+C17378	O-Acylpseudotropine	C9H14NO2R	314.0936	NA	KEGG	NA	NA
+C17397	Epithienamycin C	C13H18N2O5S	314.0936	NA	KEGG	NA	NA
+MJ031038	N-[2-(Cyclohexyloxy)-4-nitrophenyl]methanesulfonamide 	C13H18N2O5S	314.093642	NA	MeJP	NA	NA
+MJ031039	Thienamycin; 6,8-Diepimer, N-Ac 	C13H18N2O5S	314.093642	NA	MeJP	NA	NA
+MJ031040	Thienamycin; 8-Epimer, N-Ac 	C13H18N2O5S	314.093642	NA	MeJP	NA	NA
+MJ031041	Thienamycin; N-Ac 	C13H18N2O5S	314.093642	NA	MeJP	NA	NA
+MJ031042	Clibucaine 	C15H20Cl2N2O	314.095268	NA	MeJP	NA	NA
+MJ031043	5-[4-(2-Furanyl)-3-buten-1-ynyl]-2-thiophenemethanol, O-(3-Methylbutanoyl) 	C18H18O3S	314.097665	NA	MeJP	NA	NA
+MJ031044	1,4-Benzenediol; 1-Ac, 4-O-?-D-galactopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031045	2',4'-Dihydroxyacetophenone; 2'-O-?-D-Glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031046	2',5'-Dihydroxyacetophenone; 2-O-?-D-Glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031047	2,4'-Dihydroxyacetophenone; 2-O-?-D-Glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031048	2-Hydroxybenzoic acid; O-?-D-Glucopyranoside, Me ester 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031049	3',4'-Dihydroxyacetophenone; 3'-O-?-D-Glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031050	3',4'-Dihydroxyacetophenone; 4'-O-?-D-Glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031051	3,4-Dihydroxybenzaldehyde; 3-Me ether, 4-O-?-D-glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031052	Aquilegiolide; 6-Epimer, O-?-D-glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031053	Aquilegiolide; 7a-Epimer, O-?-D-glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031054	Arbutin; 2-Ac 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031055	Arbutin; 6-Ac 	C14H18O8	314.100167	NA	MeJP	NA	NA
+MJ031056	Mandelic acid, O-?-D-Glucopyranoside 	C14H18O8	314.100167	NA	MeJP	NA	NA
+HMDB02357	Lecithin	C10H21NO8P	314.10049	http://www.hmdb.ca/metabolites/HMDB02357	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02357	Lecithin	C10H21NO8P	314.10049	http://www.hmdb.ca/metabolites/HMDB02357	HMDB	NA	NA
+HMDB02357	Lecithin	C10H21NO8P	314.10049	http://www.hmdb.ca/metabolites/HMDB02357	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02357	Lecithin	C10H21NO8P	314.10049	HMDB02357	PFEM_hmdb_metabocards_official	NA	NA
+MJ031057	3,4-Di-1H-indol-3-yl-2(5H)-furanone 	C20H14N2O2	314.105527	NA	MeJP	NA	NA
+MJ031058	Naucleficine 	C20H14N2O2	314.105527	NA	MeJP	NA	NA
+MJ031059	Fenleuton 	C17H15FN2O3	314.10667	NA	MeJP	NA	NA
+MJ031060	Justiciamide 	C13H18N2O7	314.1114	NA	MeJP	NA	NA
+C00921	Dihydropteroate	C14H14N6O3	314.1127	NA	KEGG	NA	NA
+HMDB01412	7,8-Dihydropteroic acid	C14H14N6O3	314.11273	http://www.hmdb.ca/metabolites/HMDB01412	HMDB	NA	NA
+HMDB01412	7,8-Dihydropteroic acid	C14H14N6O3	314.11273	HMDB01412	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01412	7,8-Dihydropteroic acid	C14H14N6O3	314.112732	NA	HMDB2010	NA	NA
+MJ031061	Dihydropteroate 	C14H14N6O3	314.112738	NA	MeJP	NA	NA
+MetaCyc02791	7,8-dihydropteroate [dihydropterate;H2Pte;dihydropteroate;]	C14H14N6O3	314.112738	NA	metacyc	NA	NA
+FL1C9GNS0001	Crotaoprostrin;2'-Hydroxy-3,4,5-methoxychalcone	C18H18O5	314.11542	142955-68-8	knapsack	NA	NA
+FL1CA8NS0002	2'-Hydroxy-2,4',6'-trimethoxychalcone	C18H18O5	314.11542	118267-80-4	knapsack	NA	NA
+FL1CDBNS0001	Flavokawin A	C18H18O5	314.11542	3420-72-2	knapsack	NA	NA
+FL1CDBNS0002	4'-Hydroxy-2',4,6'-trimethoxychalcone	C18H18O5	314.11542	320378-13-0	knapsack	NA	NA
+FL1CE9NS0004	Helilandin B	C18H18O5	314.11542	70185-52-3	knapsack	NA	NA
+FL1CE9NS0005	2'-Hydroxy-3',4',6'-trimethoxychalcone	C18H18O5	314.11542	6971-20-6	knapsack	NA	NA
+FL1CQUNM0004	Syzygiol	C18H18O5	314.11542	133056-30-1	knapsack	NA	NA
+FL1CRTNS0003	Tepanone	C18H18O5	314.11542	145039-50-6	knapsack	NA	NA
+FL1D1CNS0004	Ponganone VII;2',4'-Dimethoxy-3,4-methylenedioxydihydrochalcone	C18H18O5	314.11542	142608-93-3	knapsack	NA	NA
+FL1DE9NS0002	2',6'-Dimethoxy-3',4'-methylenedioxydihydrochalcone	C18H18O5	314.11542	70185-55-6	knapsack	NA	NA
+FL2F9CNS0001	6,3',4'-Trimethoxyflavanone	C18H18O5	314.11542	77822-21-0	knapsack	NA	NA
+FL2FA9NM0013	Leridol	C18H18O5	314.11542	143084-66-6	knapsack	NA	NA
+FL2FA9NM0016	Isomatteucinol;5,7-Dihydroxy-3'-methoxy-6,8-dimethylflavanone	C18H18O5	314.11542	160098-91-9	knapsack	NA	NA
+FL2FABNM0001	Matteucinol	C18H18O5	314.11542	489-38-3	knapsack	NA	NA
+FL2FCANM0001	Angophorol	C18H18O5	314.11542	133442-54-3	knapsack	NA	NA
+FL2FDBNS0001	Naringenin trimethyl ether	C18H18O5	314.11542	38302-15-7	knapsack	NA	NA
+FL2FF9NS0006	5,7,8-Trimethoxyflavanone	C18H18O5	314.11542	69616-73-5	knapsack	NA	NA
+FL6F1LNM0001	7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan	C18H18O5	314.11542	75679-59-3	knapsack	NA	NA
+FL6F1LNM0002	7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan	C18H18O5	314.11542	75679-60-6	knapsack	NA	NA
+FLID2ANS0003	2-Methoxyhomopterocarpin	C18H18O5	314.11542	56782-49-1	knapsack	NA	NA
+FLID3ANS0005	4-Methoxyhomopterocarpin	C18H18O5	314.11542	22973-36-0	knapsack	NA	NA
+FLIDHYNS0001	6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan	C18H18O5	314.11542	90686-11-6	knapsack	NA	NA
+MJ031062	1,2,5,6,7-Phenanthrenepentol; 1,5,6,7-Tetra-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031063	1,5-Dihydroxy-6-prenylxanthone; 2',3'-Dihydro, 4'-hydroxy 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031064	2',3',4',6'-Tetrahydroxychalcone; 2',3',4'-Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031065	2',3',4',6'-Tetrahydroxychalcone; 3',4',6'-Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031066	2',3,4,4'-Tetrahydroxydihydrochalcone; 2',4'-Di-Me ether, 3,4-methylene ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031067	2',4',5',7-Tetrahydroxy-5,8-dimethylflavan; 4',5'-Methylene ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031068	2',4',5',7-Tetrahydroxy-6,8-dimethylflavan; 4',5'-Methylene ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031069	2',4,4',6'-Tetrahydroxychalcone; 2',4,4'-Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031070	2',4,4',6'-Tetrahydroxychalcone; 2',4,6'-Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031071	2,2',4,4'-Tetrahydroxychalcone; 2,4,4'-Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031072	2,3,4,6,7-Phenanthrenepentol; 2,3,4,6-Tetra-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031073	2,3,4,6,7-Phenanthrenepentol; 2,4,6,7-Tetra-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031074	2,3,4,6-Tetrahydroxychalcone, 3,4,6-Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031075	2,3,9-Trihydroxypterocarpan; Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031076	2-(2,4,6-Trihydroxyphenyl)-5-benzofuranpropanol; 2'-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031077	2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 3'-Hydroxy, 2'-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031078	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, 3',5-Di-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031079	2-(4-Hydroxyphenyl)ethanol; 1-O-4-Hydroxy-3-methoxycinnamoyl(E-) 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031080	3',4',6-Trihydroxyflavanone, Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031081	3',5,7-Trihydroxy-6,8-dimethylflavanone, 3'-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031082	3,4,9-Trimethoxypterocarpan 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031083	3,6,9-Trihydroxypterocarpan, Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031084	3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid; Di-Me ether, Me ester 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031085	3,9,10-Trihydroxypterocarpan, Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031086	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031087	4',5,7-Trihydroxy-6,8-dimethylflavanone, 7-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031088	4',5,7-Trihydroxyflavanone, Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031089	4,5,7-Trihydroxy-8-formyl-6-methylflavan, 5-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031090	4-Methoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one; 9-Methoxy 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031091	5,6,7-Trihydroxyflavanone, Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031092	5,6-Dimethoxy-3-(4-methoxybenzyl)phthalide 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031093	5,7,8-Trihydroxyflavanone, Tri-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031094	5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4',7-Di-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031095	5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 5,7-Di-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031096	5,7-Dihydroxy-3-(4-hydroxybenzyl)-6,8-dimethyl-4-chromanone 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031097	5,7-Dihydroxy-8-(hydroxymethyl)-6-methylflavanone, 7-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031098	?,2,4,6-Tetrahydroxy-3-methylchalcone; 4',6'-Di-Me ether 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031099	Agrimonolide 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031100	Chalepensin; 5,8-Dimethoxy 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031101	Echinofuran 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031102	Eugarzasadone 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031103	Fercoprolone 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031104	Flavidin; 5-Ethoxy, 6-methoxy 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031105	Garcipyran 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031106	Homocyclolongipesin; O-Ac 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031107	Mollugin; 3-Methoxy 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031108	Neocomantherin 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031109	Ophiopogonone B; 2,3-Dihydro 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031110	Purdilactone A 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031111	Randainal; 8',9'-Dihydro, 8'9'-dihydroxy 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031112	Syzygiol 	C18H18O5	314.115423	NA	MeJP	NA	NA
+MJ031113	1-[(3-Fluoro-4-pyridinyl)amino]-3-methyl-1H-indol-5-ol; Methylcarbamate 	C16H15FN4O2	314.117903	NA	MeJP	NA	NA
+MJ031114	2-(1-Aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-4-thiazolecarboxamide 	C16H18N4OS	314.120131	NA	MeJP	NA	NA
+MJ031115	3-O-?-D-Glucopyranosylribitol 	C11H22O10	314.121296	NA	MeJP	NA	NA
+MJ031116	4-O-?-D-Glucopyranosyl-D-ribitol 	C11H22O10	314.121296	NA	MeJP	NA	NA
+MJ031117	4-O-?-D-Glucopyranosyl-D-ribitol 	C11H22O10	314.121296	NA	MeJP	NA	NA
+MJ031118	Umbilicin 	C11H22O10	314.121296	NA	MeJP	NA	NA
+MJ031119	4-Ethyl-6,7-dimethoxy-3-methoxycarbonyl-9H-pyrido[3,4-b]indole 	C17H18N2O4	314.126657	NA	MeJP	NA	NA
+MJ031120	7-Amino-1-hydroxymethyl-6-methyl-5,8-isoquinolinedione; N7-Me, O-angeloyl 	C17H18N2O4	314.126657	NA	MeJP	NA	NA
+MJ031121	Lorcinadol 	C17H19ClN4	314.129824	NA	MeJP	NA	NA
+MJ031122	Penicillin F; Dihydro 	C14H22N2O4S	314.130027	NA	MeJP	NA	NA
+MJ031123	1,2,3,4,10-Pentahydroxy-11(13)-guaien-12,6-olide 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031124	11-Hydroperoxy-1,3,4-trihydroxy-7(14),9-bisaboladiene-2,8-dione 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031125	2-(4-Hydroxyphenyl)ethanol; 4'-Me ether, 1-O-?-D-glucopyranoside 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031126	6,8,11-Trihydroxy-1,3-elemadiene-12,15-dioic acid 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031127	Cyclomerrillianolide 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031128	Cycloparvifloralone; 8-Deoxy, 4-oxo, 9-hydroxy 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031129	Gramilaurone 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031130	Merrillianolide 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031131	Neodunnianin 	C15H22O7	314.136553	NA	MeJP	NA	NA
+MJ031132	Ranitidine 	C13H22N4O3S	314.141261	NA	MeJP	NA	NA
+HMDB01930	Ranitidine	C13H22N4O3S	314.141266	NA	HMDB2010	NA	NA
+HMDB01930	Ranitidine	C13H22N4O3S	314.14127	http://www.hmdb.ca/metabolites/HMDB01930	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01930	Ranitidine	C13H22N4O3S	314.14127	http://www.hmdb.ca/metabolites/HMDB01930	HMDB	NA	NA
+HMDB01930	Ranitidine	C13H22N4O3S	314.14127	http://www.hmdb.ca/metabolites/HMDB01930	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01930	Ranitidine	C13H22N4O3S	314.14127	HMDB01930	PFEM_hmdb_metabocards_official	NA	NA
+MJ031133	Methopromazine 	C18H22N2OS	314.145284	NA	MeJP	NA	NA
+MJ031134	Pimefylline 	C15H18N6O2	314.149123	NA	MeJP	NA	NA
+2722	erythromycin inhibitor	MSRHV	314.1497	MH2+	Inhouse_peptide	NA	peptide
+C09267	Heliettin	C19H22O4	314.1518	NA	KEGG	NA	NA
+C11866	2,3-Dehydro-gibberellin A9	C19H22O4	314.1518	NA	KEGG	NA	NA
+FL1DQUNM0002	Grandiflorone	C19H22O4	314.1518	50861-53-5	knapsack	NA	NA
+MJ031135	1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)phenoxy]-1-propanol; 2'-Methoxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031136	15,16-Epoxy-18-nor-4-oxo-1,13(16),14-clerodatrien-17,12-olide 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031137	15,16-Epoxy-19-nor-2-oxo-13(16),14-clerodadien-20,12-olide, 3,4-Didehydro 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031138	15,16-Epoxy-4-hydroxy-18-nor-2,13(16),14-clerodatrien-17,12-olide, 4-Ketone 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031139	2,3-Dihydro-2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran, 3'-Methoxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031140	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene, 8-O-(3-Methylbutanoyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031141	2-Methyl-1,4-naphthalenediol; Dibutanoyl 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031142	20-Nor-1(10),16-gibberelladien-19,2-olid-7-oic acid 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031143	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan, 3'-Me ether 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031144	3',6'-Epoxycycloauraptene 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031145	3,4,4'-Trihydroxy-7,7'-epoxylignan, 3-Me ether 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031146	3-(1,1-Dimethyl-2-propenyl)columbianetin 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031147	3-(3,3-Dimethylallyl)marmesin 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031148	4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol, 3-O-(3-Methyl-2-butenoyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031149	5,7,13-Pentadecatriene-9,11-diyne-1,3-diol; Di-Ac 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031150	5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(3,7-Dimethyl-2,6-octadienyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031151	5,7-Dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031152	5,7-Dihydroxy-8-lavandulyl-4H-1-benzopyran-4-one 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031153	5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031154	6'-Hydroxy-?-cycloauraptene 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031155	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(2-Methyl-2-propenoyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031156	7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031157	7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one; 7-O-(3-Methyl-2-butenyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031158	7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(3-Methyl-2-butenyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031159	8-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-2H-1-benzopyran-2-one 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031160	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(Methylpropenoyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031161	8-Prenylnodakenetin 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031162	Abietinarin A 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031163	Acerogenin A, 5'S-Hydroxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031164	Acerogenin F 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031165	Acerogenin I 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031166	Alnusdiol 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031167	Anisocoumarin F 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031168	Arnottinin; 7-O-(3-Methyl-2-butenyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031169	Arucadiol; 7-Hydroxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031170	Auraptene; 2',3'-Dihydro, 5'-oxo 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031171	Auraptene; 5'-Hydroxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031172	Auraptene; 6',7'-Dihydro, 5'-oxo 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031173	Auraptene; 6',7'-Dihydro, 6'-oxo 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031174	Auraptene; 6'R,7'-Epoxide 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031175	Auraptene; ?5'-Isomer, 7'-hydroxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031176	Auraptene; ?7'-Isomer, 6'R-hydroxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031177	Brombyin 1 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031178	Brombyin 6 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031179	Chalepin 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031180	Cryptofolione 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031181	Flourensianol; 3-Methyl-2-butenoyl 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031182	Flourensianol; Angeloyl 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031183	Flourensianol; Tigloyl 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031184	Franklinol, Ketone 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031185	Gibberellin A9; 9,11-Didehydro 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031186	Grandiflorone 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031187	Isomargolonone 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031188	Margolone; 3-Oxo 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031189	Milanjilactone B 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031190	Neocryptotanshinone 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031191	Octandrenolone; 5-Me ether 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031192	Odoratin 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031193	Osthenol; O-(2,3-Epoxy-3-methylbutyl) 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031194	Ostruthin; ?7'-Isomer, 6'-hydroxy 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031195	Pallavicinia 3 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031196	Pallavicinia 4; 18-Nor 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031197	Pallavicinia 4; 19-Nor 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031198	Perrottetin B 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031199	Praealtin A; ?3',4'-Isomer, 6'-de-Ac 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031200	Sophorachromone A 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031201	Tanshinone V 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MJ031202	Ulismoncadin A 	C19H22O4	314.151809	NA	MeJP	NA	NA
+MetaCyc02792	GA120 [gibberellin A120;gibberellin A120;GA120;]	C19H22O4	314.151809	NA	metacyc	NA	NA
+C14252	1,3-Dibenzyltetramethyldisiloxane	C18H26OSi2	314.1522	NA	KEGG	NA	NA
+MJ031203	Clomipramine 	C19H23ClN2	314.154976	NA	MeJP	NA	NA
+MJ031204	Homochlorcyclizine 	C19H23ClN2	314.154976	NA	MeJP	NA	NA
+C06918	Clomipramine	C19H23ClN2	314.155	NA	KEGG	NA	NA
+C06919	Transferred to D00280	C19H23ClN2	314.155	NA	KEGG	NA	NA
+C06920	Transferred to D00281	C19H23ClN2	314.155	NA	KEGG	NA	NA
+PJ000261	APQ 	C13H22N4O5	314.159	NA	PeJP	NA	NA
+C06490	WIN VI	C18H22N2O3	314.163	NA	KEGG	NA	NA
+MJ031205	5-[5-[4-(4,5-Dihydro-2-oxazolyl)phenoxy]pentyl]-3-methylisoxazole 	C18H22N2O3	314.163042	NA	MeJP	NA	NA
+MJ031206	1,3,5-Triphenyl-1-pentanone 	C23H22O	314.167065	NA	MeJP	NA	NA
+MJ031207	2-Pinen-4-ol, O-?-D-Galactopyranoside 	C16H26O6	314.172938	NA	MeJP	NA	NA
+MJ031208	2-Pinen-4-ol, O-?-D-Glucopyranoside 	C16H26O6	314.172938	NA	MeJP	NA	NA
+MJ031209	2-Pinen-6-ol, O-?-D-Glucopyranoside 	C16H26O6	314.172938	NA	MeJP	NA	NA
+MJ031210	3,3,6-Trimethyl-5-heptene-1,2,4-triol; Tri-Ac 	C16H26O6	314.172938	NA	MeJP	NA	NA
+MJ031211	p-Mentha-1,8-dien-6-ol, O-?-D-Glucopyranoside 	C16H26O6	314.172938	NA	MeJP	NA	NA
+MJ031212	p-Mentha-1,8-dien-7-ol, O-?-D-Glucopyranoside 	C16H26O6	314.172938	NA	MeJP	NA	NA
+MJ031213	Moxiraprine 	C17H22N4O2	314.174275	NA	MeJP	NA	NA
+MJ031214	Resiquimod 	C17H22N4O2	314.174275	NA	MeJP	NA	NA
+8242	Antioxidative peptide	VIPMGL	314.1747	MH2+	Inhouse_peptide	NA	peptide
+C16991	Magnocurarine	C19H24NO3	314.1756	NA	KEGG	NA	NA
+C17567	Lotusine	C19H24NO3	314.1756	NA	KEGG	NA	NA
+MJ031215	Oblongine 	C19H24NO3	314.175618	NA	MeJP	NA	NA
+MJ031216	Pergolide 	C19H26N2S	314.181669	NA	MeJP	NA	NA
+C07425	Pergolide	C19H26N2S	314.1817	NA	KEGG	NA	NA
+C07426	Transferred to D00502	C19H26N2S	314.1817	NA	KEGG	NA	NA
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR377	Aldosterone F4	NA	314.187475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR377	Aldosterone F4	NA	314.187475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR377	Aldosterone F4	NA	314.187475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR377	Aldostérone F4	F4	314.187475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR377	Aldosterone F4	NA	314.187475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR377	Aldosterone F4	F4	314.187475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ031217	1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031218	1-Hydroxy-8,10,14,16-octadecatetraen-12-yn-3-one, Ac 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031219	11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031220	11,15-Dihydroxy-5,7,9(11),13-abietatetraen-12-one 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031221	11-Hydroxy-14-oxo-1,3,12-cyathatrien-15-al; 11?-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031222	11-Hydroxy-4,5-secoeudesmane-4,5-dione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031223	12,15-Epoxy-3,12,14-clerodatrien-17,11-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031224	12-Hydroxy-8,11,13-abietatriene-6,7-dione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031225	12-Hydroxy-8,12-abietadiene-11,14-dione; 6,7-Didehydro 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031226	12-Hydroxy-9(11),16-kauradien-19-oic acid, 12-Ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031227	12-Oxo-9(11),13-abietadien-20,8-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031228	13-Hydroxy-7,9(11),13-totaratriene-6,12-dione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031229	13-Hydroxy-8,11,13-totaratriene-1,3-dione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031230	15,16-Epoxy-1,3,13(16),14-clerodatetraen-18-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031231	15,16-Epoxy-17-hydroxy-7,11,13(16),14-labdatetraen-6-one 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031232	15,16-Epoxy-20-hydroxy-8(17),13(16),14-labdatrien-19-oic acid; 20?19 Lactone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031233	15,16-Epoxy-3,11,13(16),14-clerodatetraen-18-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031234	15,16-Epoxy-3,13(16),14-clerodatrien-18,19-olide; ent-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031235	15,16-Epoxy-3,13(16),14-clerodatriene-2,7-dione; ent-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031236	15,16-Epoxy-6,7-seco-5,8,13(16),14-labdatetraen-7,6-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031237	15,16-Epoxy-6,8,13(16),14-labdatetraen-17-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031238	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 18?6 Lactone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031239	15,16-Epoxy-7,11,13(16),14-labdatetraen-6-one, 7-Hydroxy 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031240	15,16-Epoxy-8(17),13(16),14-labdatriene-2,12-dione; ent-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031241	15-Beyerene-2,3,12-triol, Triketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031242	15-Hydroxy-1(19),6,10,12,14(16)-xenicapentaen-18,17-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031243	15-Hydroxy-9-oxo-5,10,13,17-prostatetraenoic acid, 1,15-Lactone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031244	18-Hydroxy-1,9-octadecadiene-4,6-diyn-3-one, Ac 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031245	19(4?3)-Abeo-11,12-dihydroxy-4(18),8,11,13-abietatetraen-7-one 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031246	19(4?3)-Abeo-14-hydroxy-3,8,11,13-abietatetraen-18-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031247	19-Hydroxy-8,11,13-abietatriene-3,7-dione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031248	19-Hydroxy-8,12-abietadiene-11,14-dione; 19-Aldehyde 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031249	2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031250	2-Hydroxy-1,16-atisadiene-3,14-dione; ent-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031251	20(10?5)-Abeo-1(10),6,8,11,13-abietapentaene-11,12,16-triol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031252	20(10?9)-Abeo-15-oxo-16-kauren-19,10-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031253	3,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031254	3,12-Dihydroxy-8,11,13-abietatrien-7-one, 3-Ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031255	3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl; 3-Deoxy 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031256	3-(4-Hydroxyphenyl)-2-propenoic acid, O-(3,7-Dimethyl-2,6-octadienyl), Me ester 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031257	3-Hydroxy-8,11,13-abietatrien-18-oic acid, 15,16-Didehydro 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031258	4-(3-Hydroxy-3-methylbutyl)-5-(2-phenylethyl)-1,3-benzenediol; 1-Me ether 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031259	5,18:13,18-Diepoxy-14-serrulaten-8-ol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031260	5,6-Secofuranoeremophila-1(10),4-dien-6-ol; Angeloyl 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031261	5,6-Secofuranoeremophila-1(10),4-dien-6-ol; O-(3-Methyl-2-butenoyl) 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031262	5-(2,5,8,11-Tetradecatetraenyl)-2-furanacetic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031263	6,11-Dihydroxy-7,9(11),13-abietatrien-12-one, 6-Ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031264	6,11-Dihydroxy-7,9(11),13-abietatrien-12-one; 6?-form, 6-Ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031265	6,12-Dihydroxy-5,8,11,13-abietetraen-7-one 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031266	6-Hydroxy-1(10),7,11-eremophilatrien-9-one, Angeloyl 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031267	6-Hydroxy-6,8,12-abietatriene-11,14-dione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031268	6-Oxo-7,11,13-labdatrien-16,15-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031269	6-Oxo-7,12,14-labdatrien-17,11-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031270	7,10-Epoxy-5,8,11,13-icetexatetraene-11,12-diol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031271	7,16:7,20-Diepoxy-8,11,13-cleistanthatrien-3-ol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031272	7-Oxo-8,11,13-cleistanthatrien-17-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031273	7-Oxo-8,11,13-cleistanthatrien-19-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031274	7-Oxo-8,13(15)-abietadien-16,12-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031275	8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Carboxylic acid, 1-ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031276	8,11,13-Abietatriene-3,12-diol; 3?-form, 3-Ketone, 1?,2?-epoxy 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031277	8,11,13-Abietatriene-7,18-diol; 7?-form, 18-Aldehyde, 7-ketone, 12-hydroxy 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031278	8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Carboxylic acid, 7-ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031279	8,12-Abietadiene-3,11,14-trione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031280	8,14-Epoxy-13(15)-abieten-16,12-olide 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031281	9-Hydroxy-1,8(14),15-isopimaratriene-3,11-dione; 9?-form 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031282	9-Hydroxy-8,10,12,14-amphilectratetraen-20-oic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031283	Bertyadionol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031284	Cafestol; 1,2-Didehydro 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031285	Colombiasin A 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031286	Conyzaleucolide A 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031287	Dichroanal A; 6-Deoxy, 5,6-didehydro 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031288	Elisapterosin B 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031289	Fukujusonorone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031290	Furanoeremophil-1(10)-en-3-ol, 3-(3-Methyl-2-butenoyl) 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031291	Furanoeremophil-1(10)-en-3-ol, 3-Angeloyl 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031292	Furanoeremophil-1(10)-en-6-ol, 6-(3-Methyl-2-butenoyl) 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031293	Furanoeremophil-1(10)-en-6-ol, 6-Angeloyl 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031294	Furanoeremophil-1(10)-en-6-ol, 6-Tigloyl 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031295	Gestadienol 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031296	Halimedalactone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031297	Halimedatrial 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031298	Helioscopinolide A; 3-Ketone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031299	Jatrophatrione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031300	Jolkinolide C 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031301	Jolkinolide E; 2-Oxo 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031302	Printzianic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031303	Riolozatrione 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031304	Sapriparaquinone 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031305	Strictic acid 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031306	Verecynarmin B; 11?-Hydroxy 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031307	Verecynarmin F; 11?-Hydroxy 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MJ031308	Zoapatlin; 15-Oxo 	C20H26O3	314.188194	NA	MeJP	NA	NA
+MetaCyc02793	momilactone A []	C20H26O3	314.188195	NA	metacyc	NA	NA
+HMDB06285	4-oxo-Retinoic acid	C20H26O3	314.1882	http://www.hmdb.ca/metabolites/HMDB06285	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06285	4-oxo-Retinoic acid	C20H26O3	314.1882	http://www.hmdb.ca/metabolites/HMDB06285	HMDB	NA	NA
+C09119	Jatrophatrione	C20H26O3	314.1882	NA	KEGG	NA	NA
+C09194	Taxodione	C20H26O3	314.1882	NA	KEGG	NA	NA
+C14670	17-Ethynyl-10-hydroxy-19-nortestosterone	C20H26O3	314.1882	NA	KEGG	NA	NA
+C14930	3-Methoxy-androsta-3,5-diene-7,17-dione	C20H26O3	314.1882	NA	KEGG	NA	NA
+C14999	10-Hydroxyestra-1,4-dien-3-one acetate	C20H26O3	314.1882	NA	KEGG	NA	NA
+C15228	beta-Estradiol 17-acetate	C20H26O3	314.1882	NA	KEGG	NA	NA
+C16678	all-trans-4-Oxoretinoic acid	C20H26O3	314.1882	NA	KEGG	NA	NA
+C18015	Momilactone A	C20H26O3	314.1882	NA	KEGG	NA	NA
+HMDB06285	4-oxo-Retinoic acid	C20H26O3	314.1882	http://www.hmdb.ca/metabolites/HMDB06285	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06285	4-oxo-Retinoic acid	C20H26O3	314.1882	HMDB06285	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06285	4-oxo-Retinoic acid	C20H26O3	314.188202	NA	HMDB2010	NA	NA
+PJ000262	APK 	C14H26N4O4	314.1954	NA	PeJP	NA	NA
+MJ031309	10-Methoxydihydrocorynantheol; O-De-Me 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031310	14,15-Voaphyllinediol 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031311	Dihydrocorynantheol, 19(S)-Hydroxy 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031312	Dihydrocorynantheol, N-Oxide 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031313	Herquline B 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031314	Quinamine; 9,10-Dihydro 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031315	Rhazidigenine; Nb-Oxide 	C19H26N2O2	314.199428	NA	MeJP	NA	NA
+MJ031316	N,N'-Bis(4-guanidinobutyl)oxamide 	C12H26N8O2	314.217872	NA	MeJP	NA	NA
+HMDB01830	Progesterone	C21H30O2	314.224579	NA	HMDB2010	NA	NA
+HMDB13121	7-Dehydropregnenolone	C21H30O2	314.224579	NA	HMDB2010	NA	NA
+HMDB01830	Progesterone	C21H30O2	314.22458	http://www.hmdb.ca/metabolites/HMDB01830	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01830	Progesterone	C21H30O2	314.22458	http://www.hmdb.ca/metabolites/HMDB01830	HMDB	NA	NA
+MJ031317	Progesterone 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031318	10-Acetyl-20-nor-8,11,13-abietatrien-12-ol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031319	11-Hydroxypregna-4,20-dien-3-one 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031320	12-Hydroxy-8,11,13-abietatrien-7-one; Me ether 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031321	16-Hydroxypregna-4,17(20)-dien-3-one 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031322	20-Hydroxypregna-4,6-dien-3-one 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031323	3-Pentadecyl-1,2-benzenediol; 8',9',11',12',13',14'-Hexadehydro 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031324	3-Pentadecyl-1,2-benzenediol; 8',9',11',12',14',15'-Hexadehydro(Z,Z,Z-) 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031325	4-(1-Ethenyl-1,5,9-trimethyl-4,8-decadienyl)-1,2-benzenediol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031326	4-(8,11,13-Pentadecatrienyl)-1,2-benzenediol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031327	4-(8,11,14-Pentadecatrienyl)-1,2-benzenediol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031328	5-Pentadecyl-1,3-benzenediol; 8',9'Z,11',12'Z,14,15-Hexadehydro 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031329	6,8,11,13-Abietatetraene-11,12-diol; 12-Me ether 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031330	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-Me ether 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031331	8,11,13-Abietatrien-18-oic acid; Me ester 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031332	?4(8)-Isotetrahydrocannabinol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031333	?4-Isotetrahydrocannabinol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031334	?8-Isotetrahydrocannabinol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031335	?8-Tetrahydrocannabinol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031336	?9-Tetrahydrocannabinol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031337	Arenarol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031338	Aureol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031339	Avarol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031340	Cannabichromene 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031341	Cannabicyclol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031342	Cannabidiol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031343	Chromazonarol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031344	Farnesylhydroquinone 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031345	Helioporin D 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031346	Isozonarol; Natural-form 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031347	Longithorone B; 16?,21-Dihydro, 17?-alcohol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031348	Metynodiol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031349	P-Sterone 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031350	Pregn-4-ene-3,20-dione 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MJ031351	Zonarol 	C21H30O2	314.22458	NA	MeJP	NA	NA
+MetaCyc02794	cannabichromene [2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol;]	C21H30O2	314.22458	NA	metacyc	NA	NA
+MetaCyc02795	cannabidiol [2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol;CBD;]	C21H30O2	314.22458	NA	metacyc	NA	NA
+MetaCyc02796	&Delta;9tetrahydrocannabinol [dronabinol;THC;]	C21H30O2	314.22458	NA	metacyc	NA	NA
+MetaCyc02797	progesterone []	C21H30O2	314.22458	NA	metacyc	NA	NA
+HMDB01830	Progesterone	C21H30O2	314.22458	http://www.hmdb.ca/metabolites/HMDB01830	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01830	Progesterone	C21H30O2	314.22458	HMDB01830	PFEM_hmdb_metabocards_official	NA	NA
+C00410	Progesterone	C21H30O2	314.2246	NA	KEGG	NA	NA
+C06392	16,17-Didehydropregnenolone	C21H30O2	314.2246	NA	KEGG	NA	NA
+C06972	Dronabinol	C21H30O2	314.2246	NA	KEGG	NA	NA
+C07578	Cannabidiol	C21H30O2	314.2246	NA	KEGG	NA	NA
+C08998	Cannabichromene	C21H30O2	314.2246	NA	KEGG	NA	NA
+C14661	3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15158	3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15260	5beta-Pregn-11-ene-3,20-dione	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15342	17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15402	17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15468	3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15469	Butylated hydroxyanisole	C21H30O2	314.2246	NA	KEGG	NA	NA
+C15470	Toxaphene	C21H30O2	314.2246	NA	KEGG	NA	NA
+CJpos0742	Decenoylcarnitine isomer [(M+H)]+ (13C)	C1613CH32NO4	314.228075	C18rt(min)=8.17 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0743	Decenoylcarnitine isomer [(M+H)]+ (13C)	C1613CH32NO4	314.228075	C18rt(min)=8.38 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0742	Decenoylcarnitine isomer [(M+H)]+ (13C)	C1613CH32NO4	314.228075	C18rt(min)=8.17 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0743	Decenoylcarnitine isomer [(M+H)]+ (13C)	C1613CH32NO4	314.228075	C18rt(min)=8.38 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ031352	17-[(2-Aminoethyl)amino]estra-1,3,5(10)-trien-3-ol 	C20H30N2O	314.235813	NA	MeJP	NA	NA
+MJ031353	Fruticosonine; 3'-Alcohol 	C20H30N2O	314.235813	NA	MeJP	NA	NA
+MJ031354	Niphatesine E 	C20H30N2O	314.235813	NA	MeJP	NA	NA
+HMDB00782	Octadecanedioic acid	C18H34O4	314.245697	NA	HMDB2010	NA	NA
+HMDB04704	9,10-DHOME	C18H34O4	314.245697	NA	HMDB2010	NA	NA
+HMDB04705	12,13-DHOME	C18H34O4	314.245697	NA	HMDB2010	NA	NA
+EUR114	12,13-DHOME	C18H34O4	314.2457	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR117	9,10-DHOME	C18H34O4	314.2457	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR114	12,13-DHOME	C18H34O4	314.2457	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR117	9,10-DHOME	C18H34O4	314.2457	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR114	12,13-DHOME	C18H34O4	314.2457	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR117	9,10-DHOME	C18H34O4	314.2457	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00782	Octadecanedioic acid	C18H34O4	314.2457	http://www.hmdb.ca/metabolites/HMDB00782	HMDB	NA	NA
+HMDB04704	9,10-DHOME	C18H34O4	314.2457	http://www.hmdb.ca/metabolites/HMDB04704	HMDB	NA	NA
+HMDB04705	12,13-DHOME	C18H34O4	314.2457	http://www.hmdb.ca/metabolites/HMDB04705	HMDB	NA	NA
+EUR114	12,13-DHOME	C18H34O4	314.2457	Wishlist	Inhousejuil11	NA	NA
+EUR117	9,10-DHOME	C18H34O4	314.2457	Wishlist	Inhousejuil11	NA	NA
+C07355	(9Z)-(7S,8S)-Dihydroxyoctadecenoic acid	C18H34O4	314.2457	NA	KEGG	NA	NA
+C14828	9,10-DHOME	C18H34O4	314.2457	NA	KEGG	NA	NA
+C14829	12,13-DHOME	C18H34O4	314.2457	NA	KEGG	NA	NA
+HMDB00782	Octadecanedioic acid	C18H34O4	314.2457	HMDB00782	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04704	9,10-DHOME	C18H34O4	314.2457	HMDB04704	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04705	12,13-DHOME	C18H34O4	314.2457	HMDB04705	PFEM_hmdb_metabocards_official	NA	NA
+MJ031355	12,13-Dihydroxy-9-octadecenoic acid 	C18H34O4	314.245709	NA	MeJP	NA	NA
+MJ031356	2-Methyl-3-tridecylbutanedioic acid 	C18H34O4	314.245709	NA	MeJP	NA	NA
+MJ031357	5,8-Dihydroxy-9-octadecenoic acid 	C18H34O4	314.245709	NA	MeJP	NA	NA
+MJ031358	7,10-Dihydroxy-8-octadecenoic acid 	C18H34O4	314.245709	NA	MeJP	NA	NA
+MJ031359	9,10-Dihydroxy-12-octadecenoic acid 	C18H34O4	314.245709	NA	MeJP	NA	NA
+MJ031360	9,10-Epoxy-18-hydroxyoctadecanoic acid 	C18H34O4	314.245709	NA	MeJP	NA	NA
+MJ031361	Plakortic acid; 3-Epimer, 9,10-dihydro, Me ester 	C18H34O4	314.245709	NA	MeJP	NA	NA
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	HMDB	NA	NA
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	HMDB	NA	NA
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	Inhouse_PFEM	NA	NA
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02798	9,10-epoxy-18-hydroxystearate []	C18H34O4	314.24571	NA	metacyc	NA	NA
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR114	12,13-DHOME	C18H34O4	314.24571	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR117	9,10-DHOME	C18H34O4	314.24571	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR487	9,10-DHOME F1	NA	314.247725	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR487	9,10-DHOME F1	NA	314.247725	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR487	9,10-DHOME F1	NA	314.247725	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR487	9,10-DHOME F1	NA	314.247725	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+MJ031362	15-Docosene-1,3-diyn-5-one 	C22H34O	314.260965	NA	MeJP	NA	NA
+MJ031363	7-Hydroxy-1,3,5,10,14-phytapentaen-13-one, 13-Deoxo, Et ether 	C22H34O	314.260965	NA	MeJP	NA	NA
+MJ031364	Mansumbinol; 3-Ketone 	C22H34O	314.260965	NA	MeJP	NA	NA
+MJ031365	Conarrhimine 	C21H34N2	314.272199	NA	MeJP	NA	NA
+MJ031366	Niphatesine B 	C21H34N2	314.272199	NA	MeJP	NA	NA
+MJ031367	2-Hydroxy-17-methyloctadecanoic acid 	C19H38O3	314.282095	NA	MeJP	NA	NA
+MJ031368	3-(1-Hexadecenyloxy)-1,2-propanediol 	C19H38O3	314.282095	NA	MeJP	NA	NA
+MJ031369	1,20-Eicosanediol 	C20H42O2	314.31848	NA	MeJP	NA	NA
+7849	NA	YPFFG	314.636	MH2+	Inhouse_peptide	NA	peptide
+MJ031370	5,7-Dibromo-8-hydroxy-2-methylquinoline 	C10H7Br2NO	314.889439	NA	MeJP	NA	NA
+MJ031371	3',4',5-Trichlorosalicylanilide 	C13H8Cl3NO2	314.962061	NA	MeJP	NA	NA
+MJ031372	Bromazepam 	C14H10BrN3O	315.000724	NA	MeJP	NA	NA
+MJ031373	Midesteine 	C12H13NO3S3	315.005755	NA	MeJP	NA	NA
+MJ031374	N-[4-(Dimethylarsinoyl)butanoyl]aminoethylsulfonic acid 	C8H18AsNO5S	315.012164	NA	MeJP	NA	NA
+MJ031375	Efavirenz 	C14H9ClF3NO2	315.02739	NA	MeJP	NA	NA
+C08088	Efavirenz	C14H9ClF3NO2	315.0274	NA	KEGG	NA	NA
+MJ031376	5-Chloro-7,8-dihydro-3-phenylfuro[2,3-g]-1,2-benzisoxazole-7-carboxylic acid 	C16H10ClNO4	315.029835	NA	MeJP	NA	NA
+MJ031377	Clonazepam 	C15H10ClN3O3	315.041068	NA	MeJP	NA	NA
+MJ031378	2-Amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid, 4-Me ether, N,N,N-tri-Me, betaine 	C13H18BrNO3	315.047006	NA	MeJP	NA	NA
+MJ031379	2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid, 2-(2-Thienyl)ethyl ester 	C16H13NO4S	315.056528	NA	MeJP	NA	NA
+MetaCyc02799	p-nitrophenyl-&beta;-D-glucuronide []	C12H13N1O9	315.059031	NA	metacyc	NA	NA
+MJ031380	Clociguanil 	C12H15Cl2N5O	315.065365	NA	MeJP	NA	NA
+MJ031381	Oxfendazole 	C15H13N3O3S	315.067761	NA	MeJP	NA	NA
+MJ031382	2-Amino-5-hydroxybenzoic acid; N-(3,4-Dihydroxycinnamoyl)(E-) 	C16H13NO6	315.074287	NA	MeJP	NA	NA
+MJ031383	2-Amino-5-hydroxybenzoic acid; N-(3,4-Dihydroxycinnamoyl)(Z-) 	C16H13NO6	315.074287	NA	MeJP	NA	NA
+MJ031384	Fotemustine 	C9H19ClN3O5P	315.075084	NA	MeJP	NA	NA
+MJ031385	N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine 	C16H14ClN3O2	315.077454	NA	MeJP	NA	NA
+MJ031386	Cyclodercitin 	C19H14N3S(+)	315.083018	NA	MeJP	NA	NA
+C07953	Chlorprothixene	C18H18ClNS	315.0848	NA	KEGG	NA	NA
+C07954	Transferred to D00791	C18H18ClNS	315.0848	NA	KEGG	NA	NA
+MJ031387	Chlorprothixene 	C18H18ClNS	315.084847	NA	MeJP	NA	NA
+FL7ACDNS0001	Rosinidin	C17H15O6	315.08686	4092-64-2	knapsack	NA	NA
+C08729	Rosinidin	C17H15O6	315.0869	NA	KEGG	NA	NA
+MJ031388	3-[[(2-Amino-2-oxoethyl)methylamino]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C12H17N3O5S	315.088891	NA	MeJP	NA	NA
+MJ031389	1,1,1-Trichloro-5-undecylamine, N-Ac 	C13H24Cl3NO	315.092347	NA	MeJP	NA	NA
+MJ031390	Protizinic acid 	C17H17NO3S	315.092914	NA	MeJP	NA	NA
+PJ000263	GCH 	C11H17N5O4S	315.1001	NA	PeJP	NA	NA
+MJ031391	Pauridianthine 	C19H13N3O2	315.100776	NA	MeJP	NA	NA
+MJ031392	Pauridianthinine 	C19H13N3O2	315.100776	NA	MeJP	NA	NA
+MJ031393	1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-?-carboline-3-carboxylic acid 	C16H17N3O2S	315.104147	NA	MeJP	NA	NA
+MJ031394	1,2,3,4-Tetrahydroxyacridone; 2,3,4,10-Tetra-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031395	1,2,3,4-Tetramethoxy-10-methylacridone; N-De-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031396	1,2,3,5-Tetrahydroxyacridone; 2,3,5,10-O,O,O,N-Tetra-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031397	1,3,5,6-Tetrahydroxyacridone; 3,5,6,10-O,O,O,N-Tetra-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031398	3,4-Dihydro-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031399	Flindersine; 8-Hydroxy, N-(acetoxymethyl) 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031400	Hippeastrine 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031401	Macronine, 3-Epimer, O-de-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031402	Macronine, N-De-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031403	Macronine, O-De-Me 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031404	Renierol; O-Angeloyl 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031405	Tubispacine 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+MJ031406	Ungspiroline 	C17H17NO5	315.110672	NA	MeJP	NA	NA
+C08528	Hippeastrine	C17H17NO5	315.1107	NA	KEGG	NA	NA
+MJ031407	Bumetrizole 	C17H18ClN3O	315.113839	NA	MeJP	NA	NA
+MJ031408	Clobenzepam 	C17H18ClN3O	315.113839	NA	MeJP	NA	NA
+MJ031409	Timelotem 	C17H18FN3S	315.120546	NA	MeJP	NA	NA
+MJ031410	Anthramycin 	C16H17N3O4	315.121906	NA	MeJP	NA	NA
+MJ031411	Antibiotic PBA 	C16H17N3O4	315.121906	NA	MeJP	NA	NA
+MJ031412	Maremycin D1 	C16H17N3O4	315.121906	NA	MeJP	NA	NA
+PJ000264	PPC 	C13H21N3O4S	315.1253	NA	PeJP	NA	NA
+8281	Antioxidative peptide	YGYTGA	315.126	MH2+	Inhouse_peptide	NA	peptide
+MJ031413	Iprozilamine 	C13H22ClN5S	315.128444	NA	MeJP	NA	NA
+MJ031414	4,5,5a,6,7,11b-Hexahydro-2-propylbenzo[f]thieno[2,3-c]quinoline-9,10-diol 	C18H21NO2S	315.129299	NA	MeJP	NA	NA
+MJ031415	Dopamine; O3-?-D-Glucopyranoside 	C14H21NO7	315.131802	NA	MeJP	NA	NA
+MJ031416	Dopamine; O4-?-D-Glucopyranoside 	C14H21NO7	315.131802	NA	MeJP	NA	NA
+MJ031417	Angustine; 18,19-Dihydro 	C20H17N3O	315.137162	NA	MeJP	NA	NA
+MJ031418	Angustine; 3,14-Dihydro 	C20H17N3O	315.137162	NA	MeJP	NA	NA
+C17364	Clavamycin D	C13H21N3O6	315.143	NA	KEGG	NA	NA
+MJ031419	Clavamycin D 	C13H21N3O6	315.143035	NA	MeJP	NA	NA
+PJ000265	APE 	C13H21N3O6	315.1431	NA	PeJP	NA	NA
+7690	ACE inhibitor from red algae	AKYSY	315.1445	MH2+	Inhouse_peptide	NA	peptide
+MJ031420	14-Hydroxycodeine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031421	2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzenamine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031422	4-(2-Aminoethyl)phenol; N-[3-(4-Hydroxy-3-methoxyphenyl)propanoyl] 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031423	4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031424	8,14-Dihydrosalutaridine, N-De-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031425	Annonelliptine, N-De-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031426	Cephalotaxine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031427	Chelonin C 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031428	Chlidanthine; O2-De-Me, O2-Ac 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031429	Clivojuline 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031430	Codeine; N-Oxide 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031431	Edulinine, 3'-Deoxy, 3',4'-didehydro, Ac 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031432	Erysopitine; O16-Me, 2-ketone 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031433	Erysotinone 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031434	Erythrartine; Me ether, O15,O16-di-de-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031435	Erythrartine; O15-De-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031436	Erythrartine; O16-De-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031437	Erythratine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031438	Haplophyllidine; 5,6-Didehydro 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031439	Homolycorine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031440	Jamtine; O2,O3-Di-de-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031441	Jolantimine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031442	Juziphine; N-Oxide 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031443	Narcisine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031444	Neostemonine; 1,9a,2,3-Tetradehydro 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031445	Oduline; Me ether 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031446	Orientaline, N-De-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031447	Ornazidine; O11-Ac 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031448	Oxymorphone; 3-Me ether 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031449	Pancracine; Di-Me ether 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031450	Perfamine, 5,6-Dihydro 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031451	Pluviine; O10-De-Me, O1-Ac 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031452	Pluviine; O9-De-Me, O1-Ac 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031453	Protosinomenine; N-De-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031454	Robustidine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031455	Salutaridine, 5,6-Dihydro, N-de-Me 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031456	Sanguinine; O6-Ac 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031457	Sendaverine; 3'-Hydroxy 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031458	Sendaverine; N-Oxide 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031459	Stephaoxocanine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031460	Stepharinosine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031461	Wisanine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031462	Isoptelefolonium 	C18H22NO4(+)	315.147058	NA	MeJP	NA	NA
+MJ031463	Ptelefolonium(1+) 	C18H22NO4(+)	315.147058	NA	MeJP	NA	NA
+MJ031464	(R)-Norreticuline 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031465	(S)-Nororientaline 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031466	(S)-Norreticuline 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MJ031467	3'-Hydroxy-N-methyl-(S)-coclaurine 	C18H21NO4	315.147058	NA	MeJP	NA	NA
+MetaCyc02800	nororientaline [11-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-methoxy-1,2,3,4- tetrahydroisoquinolin-7-ol;]	C18H21N1O4	315.147058	NA	metacyc	NA	NA
+MetaCyc02801	3'-hydroxy-N-methyl-(S)-coclaurine [(S)-3-hydroxy-N-methylcoclaurine;4-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol-1-yl)methyl]benzene-1,2-diol;]	C18H21N1O4	315.147058	NA	metacyc	NA	NA
+HMDB06921	(S)-3-Hydroxy-N-methylcoclaurine	C18H21NO4	315.14706	http://www.hmdb.ca/metabolites/HMDB06921	HMDB	NA	NA
+HMDB06921	(S)-3-Hydroxy-N-methylcoclaurine	C18H21NO4	315.14706	HMDB06921	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06921	(S)-3-Hydroxy-N-methylcoclaurine	C18H21NO4	315.147064	NA	HMDB2010	NA	NA
+C05202	3'-Hydroxy-N-methyl-(S)-coclaurine	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C05317	Nororientaline	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C06516	(R)-Norreticuline	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C06518	(S)-Nororientaline	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C06520	(S)-Norreticuline	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C08018	Oxycodone	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C10580	Cephalotaxine	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C12329	(R,S)-Norreticuline	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C15018	3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one	C18H21NO4	315.1471	NA	KEGG	NA	NA
+C15362	4-Nitroestrone	C18H21NO4	315.1471	NA	KEGG	NA	NA
+MJ031468	Rotigotine 	C19H25NOS	315.165685	NA	MeJP	NA	NA
+3541	ACE inhibitor	LSP	315.168	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ031469	Echinatine; N-Oxide 	C15H25NO6	315.168187	NA	MeJP	NA	NA
+MJ031470	Indicine; N-Oxide 	C15H25NO6	315.168187	NA	MeJP	NA	NA
+MJ031471	Intermedine; 3'-Epimer, N-oxide 	C15H25NO6	315.168187	NA	MeJP	NA	NA
+MJ031472	Ipanguline D3; 2''-Epimer, 3''-Ac 	C15H25NO6	315.168187	NA	MeJP	NA	NA
+MJ031473	Ipanguline D3; 3''-Ac 	C15H25NO6	315.168187	NA	MeJP	NA	NA
+MJ031474	1-Carboxytrypargine 	C16H21N5O2	315.169524	NA	MeJP	NA	NA
+MJ031475	Alizapride 	C16H21N5O2	315.169524	NA	MeJP	NA	NA
+PJ000266	SPL 	C14H25N3O5	315.1794	NA	PeJP	NA	NA
+MJ031476	Aspergillus oryzae Cysteine protease inhibitors; CPI 2 	C14H25N3O5	315.17942	NA	MeJP	NA	NA
+C08518	Belladine	C19H25NO3	315.1834	NA	KEGG	NA	NA
+MJ031477	3,5-Bis(3-methyl-2-butenyl)-1H-indole; 1''-Oxo, 2',3'-dihydro, 2'R-hydroxy, 3'-methoxy 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031478	Amuroline 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031479	Belladine 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031480	Cryprochine 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031481	Dopamantine 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031482	Epilupinine, O-(4-Hydroxy-E-cinnamoyl) 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031483	Epilupinine, O-(4-Hydroxy-Z-cinnamoyl) 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031484	Lucidinine 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031485	Lupinine, O-4-Hydroxy-E-cinnamoyl 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031486	Luteinine 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031487	Mitiglinide 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031488	Piperolein A 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+MJ031489	Taxodine 	C19H25NO3	315.183443	NA	MeJP	NA	NA
+2729	erythromycin inhibitor	MLIRV	315.1887	MH2+	Inhouse_peptide	NA	peptide
+MJ031490	Indolactam I 	C18H25N3O2	315.194677	NA	MeJP	NA	NA
+MJ031491	Martensine A 	C18H25N3O2	315.194677	NA	MeJP	NA	NA
+MJ031492	Pandamarine 	C18H25N3O2	315.194677	NA	MeJP	NA	NA
+MJ031493	Fendiline 	C23H25N	315.198699	NA	MeJP	NA	NA
+8318	Dvl protein binding	VVV	315.204	Short chain acyl carnitines  ;SYN:Isovaleryl L-carnitine; IsovalerylcarnitineH2Blood	Inhouse_peptide	NA	peptide
+MJ031494	Curassavine; N-Oxide 	C16H29NO5	315.204573	NA	MeJP	NA	NA
+MJ031495	N-(2-Ethylhexyl)-3-hydroxybutanamide; Succinoyl 	C16H29NO5	315.204573	NA	MeJP	NA	NA
+C12946	Butoctamide hydrogen succinate	C16H29NO5	315.2046	NA	KEGG	NA	NA
+C12947	Transferred to D01499	C16H29NO5	315.2046	NA	KEGG	NA	NA
+PJ000267	ALL 	C15H29N3O4	315.2158	NA	PeJP	NA	NA
+C11791	Bremazocine	C20H29NO2	315.2198	NA	KEGG	NA	NA
+MJ031496	2-Undecyl-4(1H)-quinolinone; N-Oxide 	C20H29NO2	315.219829	NA	MeJP	NA	NA
+MJ031497	Bremazocine 	C20H29NO2	315.219829	NA	MeJP	NA	NA
+MJ031498	Himbadine; N-De-Me 	C20H29NO2	315.219829	NA	MeJP	NA	NA
+MJ031499	N-(4-Hydroxyphenethyl)-2,4-dodecadienamide 	C20H29NO2	315.219829	NA	MeJP	NA	NA
+MJ031500	Hopeanine 	C19H29N3O	315.231062	NA	MeJP	NA	NA
+MJ031501	Pamaquine 	C19H29N3O	315.231062	NA	MeJP	NA	NA
+CJpos0744	Decanoylcarnitine isomer [(M+H)]+	C17H34NO4	315.240375	C18rt(min)=8.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0745	Decanoylcarnitine [(M+H)]+	C17H34NO4	315.240375	C18rt(min)=8.97 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0744	Decanoylcarnitine isomer [(M+H)]+	C17H34NO4	315.240375	C18rt(min)=8.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0745	Decanoylcarnitine [(M+H)]+	C17H34NO4	315.240375	C18rt(min)=8.97 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00651	Decanoylcarnitine	C17H33NO4	315.240967	NA	HMDB2010	NA	NA
+HMDB00651	Decanoylcarnitine	C17H33NO4	315.24097	http://www.hmdb.ca/metabolites/HMDB00651	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00651	Decanoylcarnitine	C17H33NO4	315.24097	http://www.hmdb.ca/metabolites/HMDB00651	HMDB	NA	NA
+HMDB00651	Decanoylcarnitine	C17H33NO4	315.24097	NA  ;SYN:3-Nitrotyrosine; 5-Nitrotyrosine; m-NitrotyrosineH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB00651	Decanoylcarnitine	C17H33NO4	315.24097	http://www.hmdb.ca/metabolites/HMDB00651	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00651	Decanoylcarnitine	C17H33NO4	315.24097	HMDB00651	PFEM_hmdb_metabocards_official	NA	NA
+C03299	O-Decanoyl-L-carnitine	C17H33NO4	315.241	NA	KEGG	NA	NA
+MJ031502	2-Heptyl-1-cyclopropanepropanoic acid, 2-Phenylethylamide 	C21H33NO	315.256214	NA	MeJP	NA	NA
+MJ031503	3-Aminopregn-5-en-20-one 	C21H33NO	315.256214	NA	MeJP	NA	NA
+MJ031504	3-Aminopregna-5,16-dien-20-ol 	C21H33NO	315.256214	NA	MeJP	NA	NA
+MJ031505	Latifoline; N-De-Me 	C21H33NO	315.256214	NA	MeJP	NA	NA
+MJ031506	Ramciclane 	C21H33NO	315.256214	NA	MeJP	NA	NA
+C10778	Panamine	C20H33N3	315.2674	NA	KEGG	NA	NA
+MJ031507	Epipodopetaline 	C20H33N3	315.267448	NA	MeJP	NA	NA
+MJ031508	Oceanapamine 	C20H33N3	315.267448	NA	MeJP	NA	NA
+MJ031509	Ormosine 	C20H33N3	315.267448	NA	MeJP	NA	NA
+MJ031510	Panamine 	C20H33N3	315.267448	NA	MeJP	NA	NA
+MJ031511	Podopetaline 	C20H33N3	315.267448	NA	MeJP	NA	NA
+MJ031512	2-Amino-8-octadecene-1,3,4-triol 	C18H37NO3	315.277344	NA	MeJP	NA	NA
+MJ031513	Leptophyllin A 	C18H37NO3	315.277344	NA	MeJP	NA	NA
+MJ031514	Prosopine 	C18H37NO3	315.277344	NA	MeJP	NA	NA
+2797	peptide toxic from alpha-gliadin	YPQPQ	315.6415	MH2+	Inhouse_peptide	NA	peptide
+3399	NA	AMKPW	315.6512	MH2+	Inhouse_peptide	NA	peptide
+7660	ACE inhibitor from as2-CN (189-192)	AMKPW	315.6512	MH2+	Inhouse_peptide	NA	peptide
+8165	peptide derived from bovine k-casein (112-116)	KNQDK	315.6579	MH2+	Inhouse_peptide	NA	peptide
+MJ031515	2,4-Dibromo-6-chloro-1,3,5-benzenetriol 	C6H3Br2ClO3	315.813746	NA	MeJP	NA	NA
+MJ031516	1-Bromo-3,4-dichloro-7-chloromethyl-3-methyl-1,5,7-octatriene 	C10H12BrCl3	315.918796	NA	MeJP	NA	NA
+MJ031517	5,6-Dibromotryptamine 	C10H10Br2N2	315.921073	NA	MeJP	NA	NA
+MJ031518	Bis[1-hydroxy-2(1H)-pyridinethionato-O,S]zinc 	C10H8N2O2S2Zn	315.931865	NA	MeJP	NA	NA
+C13427	Pyrithione zinc	C22H35IO2	315.9319	NA	KEGG	NA	NA
+C13428	Transferred to D01939	C22H35IO2	315.9319	NA	KEGG	NA	NA
+C04596	1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene	C14H8Cl4	315.938	NA	KEGG	NA	NA
+C14133	2,2-(2-Chlorophenyl-4'-chlorophenyl)-1,1-dichloroethene	C14H8Cl4	315.938	NA	KEGG	NA	NA
+MJ031519	1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene 	C14H8Cl4	315.938011	NA	MeJP	NA	NA
+MetaCyc02802	1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene []	C14H8CL4	315.938011	50-29-3	metacyc	NA	NA
+MJ031520	Pyoluteorin; 3'-Nitro 	C11H6Cl2N2O5	315.965376	NA	MeJP	NA	NA
+C14136	1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane	C14H11Cl3O2	315.9825	NA	KEGG	NA	NA
+MJ031521	Pazoxide 	C12H10Cl2N2O2S	315.984003	NA	MeJP	NA	NA
+MJ031522	Pentaerithrityl tetranitrate 	C5H8N4O12	316.013871	NA	MeJP	NA	NA
+MJ031523	Ellagic acid; 3-Me ether 	C15H8O8	316.021917	NA	MeJP	NA	NA
+MJ031524	Chloromycorrhizinol A 	C14H14Cl2O4	316.026914	NA	MeJP	NA	NA
+MJ031525	Mycorrhizin A, 3-Chloro 	C14H14Cl2O4	316.026914	NA	MeJP	NA	NA
+MJ031526	2,3,7-Trihydroxy-1,6-phenazinedicarboxylic acid 	C14H8N2O7	316.03315	NA	MeJP	NA	NA
+MJ031527	Isatoribine 	C10H12N4O6S	316.047754	NA	MeJP	NA	NA
+MJ031528	Arborescidine C; 17-Deoxy, 16,17-didehydro 	C16H17BrN2	316.057511	NA	MeJP	NA	NA
+MJ031529	Zimeldine 	C16H17BrN2	316.057511	NA	MeJP	NA	NA
+JH215	Isorhamnetin [M+H]+	C16H12O7	316.0578	19.02	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH215	Isorhamnetin [M+H]+	C16H12O7	316.0578	19.02	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH215	Isorhamnetin [M+H]+	C16H12O7	316.0578	19.02	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH215	Isorhamnetin [M+H]+	C16H12O7	316.0578	19.02	Inhousejuil11	NA	NA
+HMDB02655	Isorhamnetin	C16H12O7	316.058289	NA	HMDB2010	NA	NA
+HMDB02655	Isorhamnetin	C16H12O7	316.05829	http://www.hmdb.ca/metabolites/HMDB02655	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02655	Isorhamnetin	C16H12O7	316.05829	http://www.hmdb.ca/metabolites/HMDB02655	HMDB	NA	NA
+HMDB02655	Isorhamnetin	C16H12O7	316.05829	http://www.hmdb.ca/metabolites/HMDB02655	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02655	Isorhamnetin	C16H12O7	316.05829	HMDB02655	PFEM_hmdb_metabocards_official	NA	NA
+C04443	3',4',5,7-Tetrahydroxy-3-methoxyflavone	C16H12O7	316.0583	NA	KEGG	NA	NA
+C08999	Capillarisin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10022	Azaleatin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10084	Isorhamnetin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10119	Pedalitin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10120	Pinoquercetin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10176	Rhamnetin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10185	Sexangularetin	C16H12O7	316.0583	NA	KEGG	NA	NA
+C10188	Tamarixetin	C16H12O7	316.0583	NA	KEGG	NA	NA
+FL2FE8NS0005	5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone	C16H12O7	316.0583	188440-64-4	knapsack	NA	NA
+FL3FAJNS0001	Tricetin 4'-methyl ether;2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	90745-22-5	knapsack	NA	NA
+FL3FECNS0004	Nepetin	C16H12O7	316.0583	520-11-6	knapsack	NA	NA
+FL3FECNS0005	Pedalitin;3',4',5,6-Tetrahydroxy-7-methoxyflavone;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	22384-63-0	knapsack	NA	NA
+FL3FECNS0006	Nodifloretin;Batatifolin;4',5,6,7-Tetrahydroxy-3'-methoxyflavone;5,6,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O7	316.0583	23494-48-6	knapsack	NA	NA
+FL3FECNS0007	6-Hydroxyluteolin 4'-methyl ether	C16H12O7	316.0583	57093-49-9	knapsack	NA	NA
+FL3FECNS0019	Carajuflavone;2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	163318-80-7	knapsack	NA	NA
+FL3FFCNS0002	Onopordin;5,7,3',4'-Tetrahydroxy-8-methoxyflavone;8-Methoxyluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	01/04/5916	knapsack	NA	NA
+FL3FFCNS0003	Hypolaetin 3'-methyl ether	C16H12O7	316.0583	5911-00-2	knapsack	NA	NA
+FL4DPTNS0003	Crombeone	C16H12O7	316.0583	30759-13-8	knapsack	NA	NA
+FL5F2CNS0003	3-Methoxy-6,7,3',4'-tetrahydroxyflavone;2-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	159506-36-2	knapsack	NA	NA
+FL5F2CNS0004	7-Methoxy-3,6,3',4'-tetrahydroxyflavone;2-(3,4-Dihydroxyphenyl)-3,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	205316-55-8	knapsack	NA	NA
+FL5F3CNS0002	Transilitin;3',4',7,8-Tetrahydroxy-3-methoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	26788-86-3	knapsack	NA	NA
+FL5F3CNS0003	3,7,3',4'-Tetrahydroxy-8-methoxyflavone	C16H12O7	316.0583	38510-54-2	knapsack	NA	NA
+FL5F3CNS0006	3'-O-Methylmelanoxetin;3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O7	316.0583	63807-91-0	knapsack	NA	NA
+FL5FACNM0001	Pinoquercetin	C16H12O7	316.0583	491-49-6	knapsack	NA	NA
+FL5FADNS0001	Isorhamnetin;3,4',5,7-Tetrahydroxy-3'-methoxyflavone;3'-O-Methylquercetin;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O7	316.0583	480-19-3	knapsack	NA	NA
+FL5FAENS0001	Tamarixetin;3,3',5,7-Tetrahydroxy-4'-methoxyflavone;4'-O-Methylquercetin;3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O7	316.0583	603-61-2	knapsack	NA	NA
+FL5FALNS0003	Milimorin	C16H12O7	316.0583	95065-10-4	knapsack	NA	NA
+FL5FBCNS0001	Azaleatin	C16H12O7	316.0583	529-51-1	knapsack	NA	NA
+FL5FCCNS0001	Rhamnetin;3,5,3',4'-Tetrahydroxy-7-methoxyflavone;7-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1- benzopyran-4-one	C16H12O7	316.0583	90-19-7	knapsack	NA	NA
+FL5FDCNS0001	Quercetin 3-methyl ether	C16H12O7	316.0583	1486-70-0	knapsack	NA	NA
+FL5FEANS0003	5,6,7,4'-Tetrahydroxy-3-methoxyflavone	C16H12O7	316.0583	76060-25-8	knapsack	NA	NA
+FL5FEANS0004	Vogeletin	C16H12O7	316.0583	5217-93-6	knapsack	NA	NA
+FL5FEANS0005	6-Methoxykaempferol;3,5,7,4'-Tetrahydroxy-6-methoxyflavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	32520-55-1	knapsack	NA	NA
+FL5FEANS0006	3,5,6,4'-Tetrahydroxy-7-methoxyflavone	C16H12O7	316.0583	111864-35-8	knapsack	NA	NA
+FL5FEANS0007	3,5,6,7-Tetrahydroxy-4'-methoxyflavone	C16H12O7	316.0583	58942-16-8	knapsack	NA	NA
+FL5FF8NS0001	3,5,8,2'-Tetrahydroxy-7-methoxyflavone	C16H12O7	316.0583	112161-54-3	knapsack	NA	NA
+FL5FFANS0002	Sexangularetin	C16H12O7	316.0583	571-74-4	knapsack	NA	NA
+FL5FFANS0004	5,7,8,4'-Tetrahydroxy-3-methoxyflavone;3-Methylherbacetin;5,7,8-Trihydroxy-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	86749-50-0	knapsack	NA	NA
+FL5FFANS0005	Pollenitin;3,4',5,8-Tetrahydroxy-7-methoxyflavone;7-O-Methylherbacetin;3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C16H12O7	316.0583	24487-56-7	knapsack	NA	NA
+FL5FFANS0006	Herbacetin 4'-methyl ether;3,5,7,8-Tetrahydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C16H12O7	316.0583	96238-95-8	knapsack	NA	NA
+FLIAAJNS0001	Junipegenin A;5,7,3',5'-Tetrahydroxy-4'-methoxyisoflavone	C16H12O7	316.0583	76265-28-6	knapsack	NA	NA
+FLIAECNS0008	5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone	C16H12O7	316.0583	94390-23-5	knapsack	NA	NA
+FLIAGANS0001	5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone	C16H12O7	316.0583	94411-01-5	knapsack	NA	NA
+FLIDHXNS0010	6a,7-Dihydroxymaackiain;3,6a,7-Trihydroxy-8,9-methylenedioxypterocarpan	C16H12O7	316.0583	61135-99-7	knapsack	NA	NA
+FLIFHXNS0005	(-)-4,9,11,12a-Tetrahydroxyrotenone	C16H12O7	316.0583	106915-82-6	knapsack	NA	NA
+MJ031530	3',4',5,7-Tetrahydroxy-3-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031531	1,2,3,4,5-Pentahydroxy-7-methylanthraquinone; 2-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031532	1,2,3,5,8-Pentahydroxyanthraquinone; 1,3-Di-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031533	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031534	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031535	1,2,3,7,8-Pentahydroxyanthraquinone; 2,3-Di-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031536	1,2-Epoxy-8-hydroxy-6-(hydroxymethyl)-1-methoxycarbonylxanthone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031537	1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 7-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031538	1,3,5,6,8-Pentahydroxy-2-methylanthraquinone; 6-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031539	1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone; 6-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031540	1,3,5,7,8-Pentahydroxy-2-methylanthraquinone; 7-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031541	2',3',5,6,7-Pentahydroxyflavanone, 6,7-Methylene ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031542	2',3,4',5,7-Pentahydroxyflavone; 2'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031543	2',3,4',5,7-Pentahydroxyflavone; 4'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031544	2',4',5,5',7-Pentahydroxyisoflavone; 5'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031545	2',4',5,6,7-Pentahydroxyflavone; 6-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031546	2-Acetyl-1,3,6,8-tetrahydroxyanthraquinone; 1'R-Alcohol 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031547	3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031548	3',4',5,5',7-Pentahydroxyflavone; 4'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031549	3',4',5,5',7-Pentahydroxyisoflavone; 4'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031550	3',4',5,6,7-Pentahydroxyflavone; 4'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031551	3',4',5,6,7-Pentahydroxyflavone; 5-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031552	3',4',5,6,7-Pentahydroxyisoflavone; 3'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031553	3',4',5,6-Tetrahydroxy-7-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031554	3',4',5,7,8-Pentahydroxyflavone; 8-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031555	3',4',5,7,8-Pentahydroxyisoflavone; 8-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031556	3',4',5,7-Tetrahydroxy-3-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031557	3',4',5,7-Tetrahydroxy-6-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031558	3',4,4',5',6-Pentahydroxyaurone; 4-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031559	3',5,7,8-Tetrahydroxy-4'-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031560	3,3',4',5,7-Pentahydroxy-6-methylflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031561	3,3',4',5-Tetrahydroxy-7-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031562	3,3',4',6,7-Pentahydroxyflavone; 3-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031563	3,3',4',6,7-Pentahydroxyflavone; 7-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031564	3,3',4',7,8-Pentahydroxyflavone; 3'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031565	3,3',4',7,8-Pentahydroxyflavone; 3-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031566	3,3',4',7,8-Pentahydroxyflavone; 8-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031567	3,3',4',7-Tetrahydroxy-5-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031568	3,3',5,7-Tetrahydroxy-4'-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031569	3,4',5,6,7-Pentahydroxyflavone; 3-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031570	3,4',5,6,7-Pentahydroxyflavone; 7-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031571	3,4',5,7,8-Pentahydroxyflavone; 3-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031572	3,4',5,7,8-Pentahydroxyflavone; 4'-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031573	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031574	3,4',5,7-Tetrahydroxy-3'-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031575	3,4',5,7-Tetrahydroxy-6-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031576	3,4',5,7-Tetrahydroxy-8-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031577	3,4',6,7-Tetrahydroxy-5-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031578	3,6a,7,8,9-Pentahydroxypterocarpan; 8,9-Methylene ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031579	4',5,6,7,8-Pentahydroxyflavone; 6-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031580	4',5,6,7,8-Pentahydroxyisoflavone; 8-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031581	4',5,6,7-Tetrahydroxy-3'-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031582	4',5,7,8-Tetrahydroxy-3'-methoxyflavone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031583	4,9,11,12a-Tetrahydroxyrotenoid 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031584	5,6,7-Trihydroxy-2-(4-hydroxyphenoxy)-4-chromenone; 6-Me ether 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031585	6a,12a-Dihydro-4,9,11,12a-tetrahydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031586	Crombeone 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031587	Fusidienol 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031588	Pannaric acid 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031589	Sydowinin A; 2-Hydroxy 	C16H12O7	316.058302	NA	MeJP	NA	NA
+MJ031590	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 5-Me ether 	C16H13O7(+)	316.058302	NA	MeJP	NA	NA
+MJ031591	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+) 	C16H13O7(+)	316.058302	NA	MeJP	NA	NA
+MetaCyc02803	3',4',5,7-tetrahydroxy-3-methoxyflavone [3-methoxy-5,7,3',4'-tetrahydroxyflavone;3-methoxyluteolin;3-O-methylquercetin;]	C16H12O7	316.058303	NA	metacyc	NA	NA
+MJ031592	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; 2-Methylpropanoyl 	C17H16O2S2	316.059171	NA	MeJP	NA	NA
+MJ031593	2-Bromo-3-chloro-7(14),9-chamigradiene 	C15H22BrCl	316.059341	NA	MeJP	NA	NA
+MJ031594	4-Chloro-N-[(cyclohexylamino)carbonyl]benzenesulfonamide 	C13H17ClN2O3S	316.06484	NA	MeJP	NA	NA
+MJ031595	Verrucarin G 	C15H12N2O6	316.069536	NA	MeJP	NA	NA
+C17935	Cysteinyldopa	C12H16N2O6S	316.0729	NA	KEGG	NA	NA
+C17936	Phaeomelanin	C12H16N2O6S	316.0729	NA	KEGG	NA	NA
+C17937	Eumelanin	C12H16N2O6S	316.0729	NA	KEGG	NA	NA
+MJ031596	Palmarumycin CP1 	C20H12O4	316.073558	NA	MeJP	NA	NA
+C14893	2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile	C20H13ClN2	316.0767	NA	KEGG	NA	NA
+MJ031597	Xanthienopyran 	C17H16O4S	316.076929	NA	MeJP	NA	NA
+MJ031598	1,5-Anhydroglucitol, 2-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031599	1,5-Anhydroglucitol, 6-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031600	2,3-Dihydroxybenzoic acid; 3-O-?-D-Glucopyranoside 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031601	2,5-Dihydroxybenzoic acid; 2-O-?-D-Glucopyranoside 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031602	2,5-Dihydroxybenzoic acid; 5-O-?-D-Glucopyranoside 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031603	3,4,5-Trihydroxybenzaldehyde; 4-O-?-D-Glucopyranoside 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031604	3,4,5-Trihydroxybenzoic acid; ?-L-Rhamnopyranosyl ester 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031605	3,4-Dihydroxybenzoic acid; 3-O-?-D-Glucopyranoside 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031606	3,4-Dihydroxybenzoic acid; 4-O-?-D-Glucopyranoside 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031607	proto-Quercitol, 1-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031608	scyllo-Quercitol; 2-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O9	316.079432	NA	MeJP	NA	NA
+MJ031609	Boxazomycin A 	C14H12N4O5	316.080769	NA	MeJP	NA	NA
+MJ031610	Uridine-5-acetic acid; Me ester 	C12H16N2O8	316.090665	NA	MeJP	NA	NA
+C11706	SC-57666	C18H17FO2S	316.0933	NA	KEGG	NA	NA
+MJ031611	1-Fluoro-4-[2-[4-(methylsulfonyl)phenyl]-1-cyclopenten-1-yl]benzene 	C18H17FO2S	316.093328	NA	MeJP	NA	NA
+FL1C3CNS0004	2',4',4-Trihydroxy-3',3-methoxychalcone	C17H16O6	316.09468	207906-25-0	knapsack	NA	NA
+FL1CCDNS0001	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone	C17H16O6	316.09468	137225-58-2	knapsack	NA	NA
+FL1DBCNS0001	2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone	C17H16O6	316.09468	121781-36-0	knapsack	NA	NA
+FL2F3CNS0003	7,4'-Dihydroxy-8,3'-dimethoxyflavanone	C17H16O6	316.09468	207906-24-9	knapsack	NA	NA
+FL2F4ANS0001	7,8-Dihydroxy-6,4'-dimethoxyflavanone	C17H16O6	316.09468	159354-98-0	knapsack	NA	NA
+FL2FA8NS0008	5,2'-Dihydroxy-7,5'-dimethoxyflavanone	C17H16O6	316.09468	625111-94-6	knapsack	NA	NA
+FL2FA8NS0009	5,3'-Dihydroxy-7,2'-dimethoxyflavanone	C17H16O6	316.09468	188440-67-7	knapsack	NA	NA
+FL2FACNM0001	Cyrtominetin	C17H16O6	316.09468	95272-99-4	knapsack	NA	NA
+FL2FALNS0006	5,2'-Dihydroxy-7,4'-dimethoxyflavanone	C17H16O6	316.09468	167319-11-1	knapsack	NA	NA
+FL2FCDNS0001	Eriodictyol 7,3'-dimethyl ether	C17H16O6	316.09468	54352-60-2	knapsack	NA	NA
+FL2FCENS0001	Persicogenin	C17H16O6	316.09468	28590-40-1	knapsack	NA	NA
+FL2FEANS0004	5,4'-Dihydroxy-6,7-dimethoxyflavanone	C17H16O6	316.09468	73328-53-7	knapsack	NA	NA
+FL2FF8NS0001	5,7-Dihydroxy-8,2'-dimethoxyflavanone	C17H16O6	316.09468	100079-33-2	knapsack	NA	NA
+FL2FF8NS0006	5,7-Dihydroxy-8,4'-dimethoxyflavanone	C17H16O6	316.09468	149155-49-7	knapsack	NA	NA
+FL2FF8NS0007	Dihydroskullcap flavone I;5,2'-Dihydroxy-7,8-dimethoxyflavanone	C17H16O6	316.09468	600734-63-2	knapsack	NA	NA
+FL2FFANS0002	5,4'-Dihydroxy-7,8-dimethoxyflavanone	C17H16O6	316.09468	75933-06-1	knapsack	NA	NA
+FL2FG9NS0001	Didymocarpin A	C17H16O6	316.09468	72061-65-5	knapsack	NA	NA
+FL2FHYNS0001	Mosloflavanone;(S)-2,5-Dihydroxy-6,7-dimethoxyflavanone	C17H16O6	316.09468	221071-95-0	knapsack	NA	NA
+FL4D1CNS0004	Fustin 3,7-dimethyl ether	C17H16O6	316.09468	110559-11-0	knapsack	NA	NA
+FL4DABNM0001	3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone	C17H16O6	316.09468	163021-15-6	knapsack	NA	NA
+FL4DBANM0001	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone	C17H16O6	316.09468	78417-24-0	knapsack	NA	NA
+FL4DCBNS0001	Aromadendrin 7,4'-dimethyl ether	C17H16O6	316.09468	41515-76-8	knapsack	NA	NA
+FL4DDANS0002	Aromadendrin 5,7-dimethyl ether	C17H16O6	316.09468	37971-70-3	knapsack	NA	NA
+FL6DPTNS0003	7-O-Methylpeltogynol	C17H16O6	316.09468	53766-33-9	knapsack	NA	NA
+FLIB1GNS0001	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone	C17H16O6	316.09468	124901-97-9	knapsack	NA	NA
+FLIB1LNS0008	Violanone;7,3'-Dihydroxy-2',4'-dimethoxyisoflavanone	C17H16O6	316.09468	52250-38-1	knapsack	NA	NA
+FLIB1LNS0009	Lespedeol C;7,4'-Dihydroxy-2',3'-dimethoxyisoflavanone	C17H16O6	316.09468	79852-12-3	knapsack	NA	NA
+FLIBALNM0001	Ougenin	C17H16O6	316.09468	1236-43-7	knapsack	NA	NA
+FLIBALNS0001	Cajanol	C17H16O6	316.09468	61020-70-0	knapsack	NA	NA
+FLIBALNS0004	Homoferreirin	C17H16O6	316.09468	482-01-9	knapsack	NA	NA
+FLIBALNS0007	7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone	C17H16O6	316.09468	99965-02-3	knapsack	NA	NA
+FLICQUNS0003	Pendulone;7-Hydroxy-3',4'-dimethoxyisoflavanquinone	C17H16O6	316.09468	69359-09-7	knapsack	NA	NA
+FLICQUNS0004	Mucroquinone;7-Hydroxy-8,4'-dimethoxyisoflavanquinone	C17H16O6	316.09468	35878-40-1	knapsack	NA	NA
+FLICUNNS0002	Lapathinol;5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol	C17H16O6	316.09468	129724-39-6	knapsack	NA	NA
+FLICWXNS0007	6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene	C17H16O6	316.09468	84994-55-8	knapsack	NA	NA
+FLID1LNS0001	Philenopteran;3,9-Dihydroxy-7,10-dimethoxypterocarpan	C17H16O6	316.09468	22356-04-3	knapsack	NA	NA
+FLID2CNS0002	2,8-Dihydroxy-3,9-dimethoxypterocarpan	C17H16O6	316.09468	76474-65-2	knapsack	NA	NA
+FLID2CNS0003	Mucronucarpan;2,10-Dihydroxy-3,9-dimethoxypterocarpan	C17H16O6	316.09468	69743-89-1	knapsack	NA	NA
+FLID2LNS0001	Nissolicarpin;3,7-Dihydroxy-2,9-dimethoxypterocarpan	C17H16O6	316.09468	89647-64-3	knapsack	NA	NA
+FLID3CNS0005	Melilotocarpan D;4,10-Dihydroxy-3,9-dimethoxypterocarpan	C17H16O6	316.09468	83013-81-4	knapsack	NA	NA
+FLID3CNS0006	Melilotocarpan E;4,9-Dihydroxy-3,10-dimethoxypterocarpan	C17H16O6	316.09468	83013-80-3	knapsack	NA	NA
+MJ031612	1,2,3,7-Tetrahydroxyxanthone; Tetra-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031613	1,2,6,8-Tetrahydroxyxanthone; Tetra-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031614	1,3,4,5-Tetrahydroxyxanthone; Tetra-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031615	1,3,4,7-Tetrahydroxyxanthone; Tetra-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031616	1,3,5,8-Tetrahydroxyxanthone; Tetra-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031617	1,3,6,7-Tetrahydroxyxanthone; Tetra-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031618	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 1,2-Dihydro, 6,8-di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031619	1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione; 4',6'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031620	2',3',4',6,7-Pentahydroxyisoflavene; 2',4'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031621	2',3',4',7-Tetrahydroxyisoflavanone, 2',3'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031622	2',3',4',7-Tetrahydroxyisoflavanone, 2',4'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031623	2',3',5,7-Tetrahydroxyflavanone, 2',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031624	2',3,3',4,4'-Pentahydroxychalcone, 3,3'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031625	2',3,4,4',6'-Pentahydroxychalcone; 3,4'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031626	2',3,4,4',6'-Pentahydroxydihydrochalcone; 2'-Me, 3,4-methylene ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031627	2',4',5',7-Tetrahydroxy-6-methylisoflavanone; 7-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031628	2',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031629	2',4',5,7-Tetrahydroxyisoflavanone; 2',4'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031630	2',4',5,7-Tetrahydroxyisoflavanone; 2',5-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031631	2',4',5,7-Tetrahydroxyisoflavanone; 2',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031632	2',5,5',7-Tetrahydroxyflavanone, 5',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031633	2',5,7,8-Tetrahydroxyflavanone, 2',8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031634	2,3',4,4',6-Pentahydroxybenzophenone; 3',4'-Methylene, 2,4,6-tri-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031635	2,3,7,9-Tetrahydroxypterocarpan, 2,9-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031636	2,3,9,10-Tetrahydroxypterocarpan, 3,9-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031637	2,5,6,7-Tetrahydroxyflavanone, 6,7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031638	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-(3,4-Dihydroxy-E-cinnamoyl) 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031639	2-Formyl-2',3,3',5-tetrahydroxy-5'-methylbenzophenone; 3,3'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031640	3',4',5',7-Tetrahydroxyisoflavanone; 3',5'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031641	3',4',5,7-Tetrahydroxy-6,8-dimethylflavanone 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031642	3',4',5,7-Tetrahydroxyflavanone, 3',4'-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031643	3',4',5,7-Tetrahydroxyflavanone, 3',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031644	3',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031645	3',4',7,8-Tetrahydroxyflavanone, 3',8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031646	3,3',4',7-Tetrahydroxyflavanone, 3,7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031647	3,4',5,7-Tetrahydroxy-6-methylflavanone, 4'-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031648	3,4',5,7-Tetrahydroxy-6-methylflavanone, 5-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031649	3,4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031650	3,4',5,7-Tetrahydroxyflavanone, 5,7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031651	3,4,7,9-Tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; 3,7,9-Tri-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031652	3,4,8,9-Tetrahydroxypterocarpan, 3,8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031653	3,4,9,10-Tetrahydroxypterocarpan; 3,10-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031654	3,4,9,10-Tetrahydroxypterocarpan; 3,9-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031655	3,5,7,8-Tetrahydroxyflavanone, 5,8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031656	3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4'-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031657	3,7,8,10-Tetrahydroxypterocarpan, 7,8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031658	3,7,9,10-Tetrahydroxypterocarpan; 7,10-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031659	3,7,9,10-Tetrahydroxypterocarpan; 7,9-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031660	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 4'-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031661	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 5-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031662	3-Hydroxydehydroiso-?-lapachone, 5,6-Dimethoxy 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031663	4',5,6,7-Tetrahydroxyflavanone, 6,7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031664	4',5,7,8-Tetrahydroxyflavanone, 4',8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031665	4',5,7,8-Tetrahydroxyflavanone, 7,8-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031666	4',6,7,8-Tetrahydroxyflavanone; 4',6-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031667	4-Hydroxy-3,4'-oxybisbenzoic acid; Me ether, di-Me ester 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031668	5,6,7,8-Tetrahydroxyflavanone, 6,7-Di-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031669	5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 6-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031670	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031671	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 8-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031672	6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 2',3'-Dihydro, 2'-oxo, 3'-hydroxy 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031673	8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, 3',4'-Didehydro, O-Ac 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031674	8-(2-Acetoxy-3-methyl-1-oxo-2-butenyl)-7-methoxy-2H-1-benzopyran-2-one 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031675	Aloesaponol I 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031676	Astragaluquinone 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031677	Athrotaxin 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031678	Byakangelicin, 3'-Deoxy, 2'-ketone 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031679	Byakangelicol 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031680	Cynanchone Ay 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031681	Eucomol 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031682	Isobyakangelicin, 3'-Deoxy, 3',4'-didehydro 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031683	Lapathinol 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031684	Mucroquinone 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031685	Murrangatin, 1'-Ketone, 2'-Ac 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031686	Nanaomycin A; Me ester 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031687	Olivin 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031688	Peltogynol, 7-Me ether 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031689	Pendulone 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MJ031690	Phellopterin; ?3'-Isomer, 2'-hydroxy 	C17H16O6	316.094688	NA	MeJP	NA	NA
+MetaCyc02804	homoferreirin []	C17H16O6	316.094688	NA	metacyc	NA	NA
+C10204	Cajanol	C17H16O6	316.0947	NA	KEGG	NA	NA
+C10457	Homoferreirin	C17H16O6	316.0947	NA	KEGG	NA	NA
+C14969	2,3-Dihydro-6-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-	C17H16O6	316.0947	NA	KEGG	NA	NA
+C16914	Isobyakangelicol	C17H16O6	316.0947	NA	KEGG	NA	NA
+C16925	Byakangelicol	C17H16O6	316.0947	NA	KEGG	NA	NA
+C17126	Neobyakangelicol	C17H16O6	316.0947	NA	KEGG	NA	NA
+MJ031691	4-Hydroxy-?-snyderol 	C15H25BrO2	316.103792	NA	MeJP	NA	NA
+MJ031692	Caribbazoin A 	C16H16N2O5	316.105921	NA	MeJP	NA	NA
+MJ031693	Heptelidic acid chlorohydrin 	C15H21ClO5	316.107751	NA	MeJP	NA	NA
+MJ031694	Dinaphthimine 	C15H17N4O2P	316.108912	NA	MeJP	NA	NA
+MJ031695	Antibiotic 17927D 	C13H20N2O5S	316.109292	NA	MeJP	NA	NA
+MJ031696	Antibiotic KPN 	C13H20N2O5S	316.109292	NA	MeJP	NA	NA
+MJ031697	2,8-Dimethoxy-9-phenyl-3H-benz[e]inden-3-one 	C21H16O3	316.109944	NA	MeJP	NA	NA
+MJ031698	7,8-Dihydroxy-6-phenyl-1H-phenalen-1-one; Di-Me ether 	C21H16O3	316.109944	NA	MeJP	NA	NA
+MJ031699	Chaetantherol; 3-Methyl-2-butenoyl 	C18H20O3S	316.113315	NA	MeJP	NA	NA
+MJ031700	1,2,4-Benzenetriol; 1,2-Di-Me ether, 4-O-?-D-glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031701	1,3,5-Benzenetriol; O-?-Glucopyranoside, di-Me ether 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031702	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-?-D-Allopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031703	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-?-D-Glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031704	2-(3,4-Dihydroxyphenyl)ethanol; 3'-O-?-D-Galactopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031705	2-(3,4-Dihydroxyphenyl)ethanol; 3'-O-?-D-Glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031706	2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-?-D-Glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031707	3,3a,7,7a-Tetrahydro-6-hydroxy-2(6H)-benzofuranone, O-?-D-Glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031708	3,4-Dihydroxybenzyl alcohol; 3-Me ether, 4-O-?-D-glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031709	4-Hydroxy-2-isopropylidene-5-methyl-3(2H)-furanone; O-?-D-Glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031710	4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-?-D-Glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031711	Aquilegiolide; 4,5-Dihydro, O-?-D-glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031712	Aquilegiolide; 6-Epimer, 4,5-dihydro, O-?-D-glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031713	Aquilegiolide; 7a-Epimer, 4,5-dihydro, O-?-D-glucopyranoside 	C14H20O8	316.115817	NA	MeJP	NA	NA
+MJ031714	Ticarbodine 	C15H19F3N2S	316.122103	NA	MeJP	NA	NA
+MJ031715	N,N'-Bis(4-hydroxyphenyl)thiourea; Di-Et ether 	C17H20N2O2S	316.124548	NA	MeJP	NA	NA
+MJ031716	Tinoridine 	C17H20N2O2S	316.124548	NA	MeJP	NA	NA
+MJ031717	Mycosporin glutamicol; 5'-Carboxylic acid, 1'-amide 	C13H20N2O7	316.127051	NA	MeJP	NA	NA
+FL1DCANM0002	4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone	C18H20O5	316.13107	97208-71-4	knapsack	NA	NA
+FL1DDBNS0001	Flavokawin A;Flavokawine A;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone	C18H20O5	316.13107	3791-75-1	knapsack	NA	NA
+FL1DE9NS0004	2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone	C18H20O5	316.13107	-	knapsack	NA	NA
+FL1DHXNS0001	O-Methylodoratol	C18H20O5	316.13107	94943-13-2	knapsack	NA	NA
+FL1DRTNS0005	Loureirin B	C18H20O5	316.13107	119425-90-0	knapsack	NA	NA
+FL1DRTNS0010	2-Hydroxy-3,4,6-trimethoxydihydrochalcone	C18H20O5	316.13107	279219-89-5	knapsack	NA	NA
+FL1DRTNS0011	2-Hydroxy-4,5,6-trimethoxydihydrochalcone	C18H20O5	316.13107	209861-22-3	knapsack	NA	NA
+FL64DBNS0001	4-Hydroxy-5,7,4'-trimethoxyflavan	C18H20O5	316.13107	5188-72-7	knapsack	NA	NA
+FL6FA9NS0003	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol	C18H20O5	316.13107	307492-73-5	knapsack	NA	NA
+FL6FDDNS0001	(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan;(S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol	C18H20O5	316.13107	185146-55-8	knapsack	NA	NA
+FLNC4ANS0001	Kuhlmanniquinol;(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol	C18H20O5	316.13107	21044-87-1	knapsack	NA	NA
+MJ031718	1-(2,4-Dihydroxy-3,5-dimethylphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 4'',5''-Methylene ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031719	1-(2,4-Dihydroxy-3-methylphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 2''-Me, 4'',5''-methylene ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031720	1-(2,4-Dihydroxy-5-methylphenyl)-3-(2,4,5-trihydroxyphenyl)propane; 4'-Me, 3'',4''-methylene ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031721	1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 2',4,4'-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031722	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3,',3'',4',4''-Tetra-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031723	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3'',4',4'',5''-Tetra-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031724	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3,'3'',4',4''-Tetra-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031725	1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane; 2',4'-Di-Me, 3'',4''-methylene ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031726	1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1-propanone; 2'',4'',6''-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031727	1-Phenyl-3-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 2,3,4-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031728	1-Phenyl-3-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3,4,6-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031729	2',3',4',7-Tetrahydroxyisoflavan, 2',3',4'-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031730	2',3',4',7-Tetrahydroxyisoflavan, 3',4',7-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031731	2',4',5',7-Tetrahydroxyisoflavan, 2',4',5'-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031732	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,4,6-tetra-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031733	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,4,6,7-tetra-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031734	2-Acetyl-5-(1-hydroxyethyl)-6-methoxybenzofuran; 3-Methyl-2-butenoyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031735	2-Acetyl-5-(1-hydroxyethyl)-6-methoxybenzofuran; Angeloyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031736	3',4',5',7-Tetrahydroxyflavan; 3',4',7-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031737	3',4',5,7-Tetrahydroxyflavan, 3',5,7-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031738	3',5,5',7-Tetrahydroxyflavan; 3',5',7-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031739	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxy-3,5-dimethylphenyl)-1-propanone; 4'-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031740	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2',4,4'-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031741	3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3',4',6'-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031742	4,4',5,7-Tetrahydroxyflavan, 4',5,7-Tri-Me ether 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031743	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Angeloyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031744	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Tigloyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031745	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Angeloyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031746	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-(3-Methyl-2-butenoyl) 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031747	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-Angeloyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031748	5-Acetyl-2,3-dihydro-3-hydroxy-2-[1-(hydroxymethyl)ethenyl]benzofuran, 3-O-Angeloyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031749	9-Methyllongipesin; 9-O-Ac 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031750	Arnebifuranone 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031751	Auxemin 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031752	Deacetylshikonofuran A; 11-Ac 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031753	Dihydrooroselol, O-(2-Methylpropanoyl) 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031754	Kuhlmanniquinol 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031755	Laurycolactone A; 5,6-Didehydro 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031756	Lentinellic acid 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031757	Longipesin; 9-O-Propanoyl 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031758	Magnolignan B 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031759	Monochaetin 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031760	Nordinone; 4,5,8,9-Tetradehydro 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031761	Petrostyrene 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031762	Salignone D 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031763	Sorgolactone 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031764	Trypethelone; 7-Me ether, 8-methoxy 	C18H20O5	316.131073	NA	MeJP	NA	NA
+MJ031765	Zearalenone, 7',8'-Didehydro (E-) 	C18H20O5	316.131073	NA	MeJP	NA	NA
+C09186	Sorgolactone	C18H20O5	316.1311	NA	KEGG	NA	NA
+C09774	2'-O-Methylodoratol	C18H20O5	316.1311	NA	KEGG	NA	NA
+MJ031766	Antibiotic CB 25-I 	C12H20N4O6	316.138284	NA	MeJP	NA	NA
+PJ000268	SPN 	C12H20N4O6	316.1383	NA	PeJP	NA	NA
+MJ031767	Pseudophryne Alkaloid 330; O6-De-Me 	C17H20N2O4	316.142307	NA	MeJP	NA	NA
+MJ031768	Tetrahydrocantleyine; O-(3-Pyridinecarboxylate) 	C17H20N2O4	316.142307	NA	MeJP	NA	NA
+MJ031769	Prifelone 	C19H24O2S	316.1497	NA	MeJP	NA	NA
+3270	NA	KDQDK	316.1499	MH2+	Inhouse_peptide	NA	peptide
+3654	NA	DETRL	316.15045	MH2+	Inhouse_peptide	NA	peptide
+MJ031770	Fluprazine 	C14H19F3N4O	316.151095	NA	MeJP	NA	NA
+MJ031771	10-Hydroxy-8-nor-2-fenchanone; O-?-D-Glucopyranoside 	C15H24O7	316.152203	NA	MeJP	NA	NA
+MJ031772	2,6-Dimethyl-2,5-heptadienoic acid, ?-D-Glucopyranosyl ester 	C15H24O7	316.152203	NA	MeJP	NA	NA
+MJ031773	4-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, O-?-D-Glucopyranoside 	C15H24O7	316.152203	NA	MeJP	NA	NA
+MJ031774	6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, ?-L-Arabinopyranoside 	C15H24O7	316.152203	NA	MeJP	NA	NA
+MJ031775	2-[2-[(6-Methoxy-3-methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol 	C16H20N4O3	316.15354	NA	MeJP	NA	NA
+C10732	O-Methylptelefolonium	C18H22NO4	316.1549	NA	KEGG	NA	NA
+C07141	Timolol	C13H24N4O3S	316.1569	NA	KEGG	NA	NA
+MJ031776	Timolol 	C13H24N4O3S	316.156911	NA	MeJP	NA	NA
+MJ031777	Tomoxiprole 	C21H20N2O	316.157563	NA	MeJP	NA	NA
+MJ031778	8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 5-fluoro-1-methyl-1H-indole-3-carboxylate 	C18H21FN2O2	316.158706	NA	MeJP	NA	NA
+MJ031779	3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-2-propenethioamide 	C18H24N2OS	316.160934	NA	MeJP	NA	NA
+MJ031780	Suloxifen 	C18H24N2OS	316.160934	NA	MeJP	NA	NA
+MJ031781	1,10-Epoxyfuranoeremophilan-6-ol, O-(2-Methylpropenoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031782	11,12,16-Trihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one; 15R-form 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031783	12-Hydroxy-7-oxo-14-nor-4-isocedren-15-al; Tigloyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031784	15,16-Epoxy-19-nor-2-oxo-13(16),14-clerodadien-20,12-olide 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031785	2,4-Dihydroxy-6-(5,7-dimethyl-2-oxo-3,5-nonadienyl)-3-methylbenzaldehyde 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031786	2-Bornanol, O-(4-Acetoxybenzoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031787	3,12,13-Trihydroxy-8,11,13-podocarpatrien-7-one, 3-Ketone, di-Me ether 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031788	3,3',4,4'-Tetrahydroxylignan, 3-Me ether 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031789	3,3',4,4'-Tetrahydroxylignan, 4-Me ether 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031790	3,7-Dimethyl-2,4,6-octatrien-1-ol, 3,4-Dimethoxybenzoyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031791	3-(10-Hydroxygeranyl)-p-coumaric acid 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031792	3-(4-Hydroxygeranyl)-p-coumaric acid 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031793	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-Methylpropanoyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031794	3-Hydroxyfuranoeremophilan-9-one, 2-Methylpropenoyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031795	3-[2,2-Dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-propenoic acid, 3,4-Dihydro, 3?-hydroxy 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031796	3-[2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)-5-benzofuranyl]-2-propenoic acid 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031797	4,15-Epoxyfuranoeremophil-1(10)-en-6-ol, 6-(2-Methylpropanoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031798	4-Hydroxy-3,5-diprenylcinnamic acid, 5''-Hydroxy 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031799	4-Hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)acetophenone, 4'-Me ether, 4''-angeloyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031800	6,15-Epoxyfuranoeremophilan-3-ol, O(-2-Methyl-2-propenoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031801	6-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 2-Methylpropanoyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031802	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(2-Methylpropanoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031803	6-Hydroxyfuranoeremophil-1-en-9-one, O-(2-Methylpropanoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031804	6-Hydroxyfuranoeremophil-9-en-1-one, 2-Methylpropanoyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031805	6-Hydroxyfuranoeremophil-9-en-1-one; 6?-form, 2-Methylpropanoyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031806	6-Hydroxyfuranoeremophilan-9-one, O-(2-Methyl-2-propenoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031807	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(3,7-Dimethyl-2E-octenyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031808	8,14-Pentadecadiene-4,6-diyne-3,10-diol, Di-Ac 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031809	8-Acetyl-5,7-dihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran; 5-Me ether 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031810	Artepillin A 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031811	Cryptofolione; 7',8'-Dihydro 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031812	Encecalinol; Angeloyl 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031813	Ethuliaconyzophenone 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031814	Ethuliconyzone 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031815	Franklinol 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031816	Furanoeremophil-1(10)-ene-6,9-diol, 6-(2-Methylpropenoyl) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031817	Gaultheric acid 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031818	Gibberellin A9 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031819	Hannokinol 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031820	Nagilactone F 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031821	Perrottetin B; 1',2'-Dihydro 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MJ031822	p-Menth-8-en-7-ol, 3,4-Dihydroxycinnamoyl(E-) 	C19H24O4	316.167459	NA	MeJP	NA	NA
+MetaCyc02805	3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione [4-[2-(2,3-dihydroxy-6-methyl-phenyl)ethyl]-7a-methyl-3,3a,4,6,7, 7a-hexahydro-2H-indene-1,5-dione;]	C19H24O4	316.167459	NA	metacyc	NA	NA
+MetaCyc02806	GA9 [gibberellin A9;gibberellin A9;GA9;]	C19H24O4	316.167459	NA	metacyc	NA	NA
+MetaCyc02807	C19 skeleton [C19-GA skeleton;C19-gibberellin skeleton;closed lactone gibberellin skeleton;C19-GAs;C19-GAs;]	C19H24O4	316.167459	NA	metacyc	NA	NA
+C04793	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione	C19H24O4	316.1675	NA	KEGG	NA	NA
+C11863	Gibberellin A9	C19H24O4	316.1675	NA	KEGG	NA	NA
+C14347	Bisphenol A bis(2-hydroxyethyl)ether	C19H24O4	316.1675	NA	KEGG	NA	NA
+C14946	1-Dehydro-15alpha-hydroxytestololactone	C19H24O4	316.1675	NA	KEGG	NA	NA
+C15456	11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid,	C19H24O4	316.1675	NA	KEGG	NA	NA
+C17789	Capillartemisin A	C19H24O4	316.1675	NA	KEGG	NA	NA
+C17795	Capillartemisin B	C19H24O4	316.1675	NA	KEGG	NA	NA
+C07982	Imipramine hydrochloride	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07983	Transferred to D00816	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07984	Transferred to D00817	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07985	Transferred to D00818	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07986	Transferred to D00819	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07987	Transferred to D00820	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07988	Transferred to D00821	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07989	Transferred to D00822	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07990	Transferred to D00823	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07991	Transferred to D00824	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07992	Transferred to D05374	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07993	Transferred to D00825	C19H24N2	316.1706	NA	KEGG	NA	NA
+C07994	Transferred to D00826	C19H24N2	316.1706	NA	KEGG	NA	NA
+PJ000269	GLQ 	C13H24N4O5	316.1747	NA	PeJP	NA	NA
+MJ031823	1,4-Butanediamine; N-Cinnamoyl(E-), N'-(3-hydroxy-2-methylenebutanoyl) 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+MJ031824	6-[(3,5-Dimethylphenyl)methyl]-1-(ethoxymethyl)-5-ethyl-2,4(1H,3H)-pyrimidinedione 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+MJ031825	7-(Diethylamino)-4-hydroxy-6-propyl-3-quinolinecarboxylic acid; Me ester 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+MJ031826	Elliptinol 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+MJ031827	Julocrotine 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+MJ031828	Odorine, 2-Hydroxy 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+MJ031829	Pseudophrynaminol, ar-Methoxy, 4'-carboxylic acid, Me ester 	C18H24N2O3	316.178692	NA	MeJP	NA	NA
+PJ000270	AAR 	C12H24N6O4	316.1859	NA	PeJP	NA	NA
+MJ031830	3,7-Dimethyl-1,6-octadien-3-ol, O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031831	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031832	3,7-Dimethyl-2,6-octadien-1-ol, O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031833	3-Thujanol, O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031834	p-Menth-1-en-8-ol, O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031835	p-Menth-8-en-2-ol, O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031836	p-Menth-8-en-7-ol, 7-O-?-D-Glucopyranoside 	C16H28O6	316.188588	NA	MeJP	NA	NA
+MJ031837	Pipequaline 	C22H24N2	316.193948	NA	MeJP	NA	NA
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.2038	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.2038	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.2038	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.2038	Wishlist	Inhousejuil11	NA	NA
+C06093	Gibberellin A12 aldehyde	C20H28O3	316.2038	NA	KEGG	NA	NA
+C09066	Cafestol	C20H28O3	316.2038	NA	KEGG	NA	NA
+C09163	Pisiferic acid	C20H28O3	316.2038	NA	KEGG	NA	NA
+C09182	Royleanone	C20H28O3	316.2038	NA	KEGG	NA	NA
+C09196	Taxodone	C20H28O3	316.2038	NA	KEGG	NA	NA
+C09706	Petasin	C20H28O3	316.2038	NA	KEGG	NA	NA
+C09845	Cinerin I	C20H28O3	316.2038	NA	KEGG	NA	NA
+C14242	Mytatrienediol	C20H28O3	316.2038	NA	KEGG	NA	NA
+C14615	17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione	C20H28O3	316.2038	NA	KEGG	NA	NA
+C14717	15-Deoxy-delta-12,14-PGJ2	C20H28O3	316.2038	NA	KEGG	NA	NA
+C14887	11alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one	C20H28O3	316.2038	NA	KEGG	NA	NA
+C15126	2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-one	C20H28O3	316.2038	NA	KEGG	NA	NA
+C15192	9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one	C20H28O3	316.2038	NA	KEGG	NA	NA
+C15282	17beta-Hydroxyestr-5(10)-en-3-one acetate	C20H28O3	316.2038	NA	KEGG	NA	NA
+C15287	11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-one	C20H28O3	316.2038	NA	KEGG	NA	NA
+C16677	all-trans-4-Hydroxyretinoic acid	C20H28O3	316.2038	NA	KEGG	NA	NA
+C16679	all-trans-18-Hydroxyretinoic acid	C20H28O3	316.2038	NA	KEGG	NA	NA
+C16680	all-trans-5,6-Epoxyretinoic acid	C20H28O3	316.2038	NA	KEGG	NA	NA
+C18016	3beta-Hydroxy-9beta-pimara-7,15-diene-19,6beta-olide	C20H28O3	316.2038	NA	KEGG	NA	NA
+HMDB05079	15-deoxy-delta-12,14-PGJ2	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB05079	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB05079	15-deoxy-delta-12,14-PGJ2	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB05079	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB05079	15-deoxy-delta-12,14-PGJ2	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB05079	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00344	2-Methoxyestradiol-3-methylether	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB00344	HMDB	NA	NA
+HMDB05079	15-deoxy-delta-12,14-PGJ2	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB05079	HMDB	NA	NA
+HMDB05832	6b-Hydroxymethandienone	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB05832	HMDB	NA	NA
+HMDB06254	4-Hydroxyretinoic acid	C20H28O3	316.20383	http://www.hmdb.ca/metabolites/HMDB06254	HMDB	NA	NA
+HMDB00344	2-Methoxyestradiol-3-methylether	C20H28O3	316.20383	HMDB00344	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05079	15-deoxy-delta-12,14-PGJ2	C20H28O3	316.20383	HMDB05079	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05832	6b-Hydroxymethandienone	C20H28O3	316.20383	HMDB05832	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06254	4-Hydroxyretinoic acid	C20H28O3	316.20383	HMDB06254	PFEM_hmdb_metabocards_official	NA	NA
+MJ031838	1,3,5,10-Bisabolatetraene-1,2-diol; 1-(3-Methyl-2-butenoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031839	1,3,5,10-Bisabolatetraene-1,2-diol; 2-(3-Methyl-2-butenoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031840	1,3-Dihydroxy-12,15-cassadien-11-one, 3-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031841	1-Hydroxy-7(11),9-eremophiladien-8-one, 1-(3-Methyl-2-butenoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031842	1-Hydroxy-7(11),9-eremophiladien-8-one, 1-Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031843	1-Silphinene-3,5-diol; 3-Ketone, 5-angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031844	10-Hydroxy-2-africanen-4-one; 10?-form, Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031845	10-Hydroxy-3-longipinen-5-one; 10?-form, Tigloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031846	11,12-Epoxy-1(15),3,7-cembratrien-16,2-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031847	11,12-Epoxy-3,7,15(17)-cembratrien-16,14-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031848	11,14-Dihydroxy-8,11,13-abietatrien-7-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031849	11,14-Epoxy-4,8(17)-briaradien-18,7-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031850	11,15-Epoxy-15-hydroxy-4(18),12-clerodadien-16-al, 15-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031851	11-Oxo-12,14-mulinadien-20-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031852	11-Oxo-19-trachylobanoic acid; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031853	12,13-Dihydroxy-8,11,13-totaratrien-7-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031854	12,15-Dihydroxy-8,11,13-abietatrien-7-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031855	12,19-Dihydroxy-8,11,13-abietatrien-3-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031856	12-Hydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031857	12-Hydroxy-8,12-abietadiene-11,14-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031858	12-Hydroxy-8,15-isopimaradiene-7,11-dione; 12?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031859	12-Hydroxy-9(11),16-kauradien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031860	12-Hydroxymethyl-3-oxo-16-nor-8(14)-pimarene-15,21-carbolactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031861	13(16),14-Spongiadien-19-al; 19-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031862	13,16-Epoxy-3,14-clerodadien-18,19-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031863	13,16-Epoxy-7,13(16),14-labdatrien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031864	13-Hydroxy-16-atisene-3,14-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031865	13-Hydroxy-8,11,13-totaratriene-1,3-dione; 3?-Alcohol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031866	13-Hydroxy-9(11),16-kauradien-19-oic acid; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031867	14,19-Dihydroxy-8,11,13-abietatrien-3-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031868	14-Hydroxy-1(19),6,10,12-xenicatetraen-17,18-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031869	14-Hydroxy-1(19),6,10,12-xenicatetraen-18,17-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031870	14-Hydroxy-11,13(15)-abietadien-16,12-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031871	14-Hydroxy-5,8,11,13-tetradecatetraenoic acid, 1,3-Hexadienyl ether(Z,Z-) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031872	14-Hydroxy-8(17),11,13-labdatrien-16,15-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031873	14-Hydroxy-8,12-cleistanthadiene-7,11-dione; 14?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031874	15,16-Epoxy-1(10),13(16),14-halimatrien-19-oic acid; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031875	15,16-Epoxy-12-cleistathen-11-one, 17-Oxo 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031876	15,16-Epoxy-19-hydroxy-5,13(16),14-halimatrien-7-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031877	15,16-Epoxy-20-hydroxy-3,13(16),14-clerodatrien-2-one; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031878	15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form, 17-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031879	15,16-Epoxy-3,13(16),14-clerodatrien-18-ol, 18-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031880	15,16-Epoxy-3,13(16),14-clerodatrien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031881	15,16-Epoxy-3,13(16),14-clerodatrien-20-oic acid; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031882	15,16-Epoxy-3-hydroxy-5,13(16),14-halimatrien-7-one; 3?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031883	15,16-Epoxy-5,13(16),14-halimatrien-18-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031884	15,16-Epoxy-6-hydroxy-8,13(16),14-labdatrien-7-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031885	15,16-Epoxy-7,13(16),14-labdatrien-17-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031886	15,16-Epoxy-7,13(16),14-labdatrien-18-oic acid; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031887	15,16-Epoxy-7,13(16),14-labdatriene-2,3-diol, 2-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031888	15,16-Epoxy-8(17),11,13(16),14-labdatetraene-6,7-diol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031889	15,16-Epoxy-8(17),13(16),14-labdatrien-18-oic acid; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031890	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031891	15,16-Epoxy-8(17),13(16),14-labdatriene-2,12-dione; ent-form, 12?-Alcohol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031892	15,16-Epoxy-9-hydroxy-7,13(16),14-labdatrien-6-one; 9?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031893	15,17-Epoxy-7-hydroxy-13(15),14(17)-cassadien-12-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031894	15,20-Dihydroxy-16-atisen-19-oic acid, 19?20 Lactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031895	15-Beyerene-2,3,12-triol, 2,12-Diketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031896	15-Hydroxy-16-kauren-19-oic acid, 15-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031897	15-Hydroxy-19-trachylobanoic acid, 15-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031898	15-Hydroxy-8(17),11,13-labdatrien-16,15-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031899	15-Hydroxy-8(17),11,13-labdatrien-19-oic acid, 15-Aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031900	15-Hydroxy-9(11),16-kauradien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031901	15-Kaurene-17,18-diol; ent-form, 18-Carboxylic acid, 17-aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031902	15-Kaurene-17,19-diol; ent-form, 19-Carboxylic acid, 17-aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031903	16-Kaurene-15,18-diol, 18-Carboxylic acid, 15-ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031904	16-Methylestra-1,3,5(10)-triene-3,16,17-triol, 3-Me ether 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031905	16-Oxo-3,13-clerodadien-18,19-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031906	17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 14-Deoxy, 17-ketone (lactone) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031907	17-Hydroxy-13-labden-15,16-olide; 17-Aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031908	18-Hydroxy-16-atisene-3,14-dione; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031909	18-Hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031910	19-Hydroxy-13(16),14-spongiadien-3-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031911	19-Hydroxy-8,12-abietadiene-11,14-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031912	19-Oxo-1(9),6,13-xenicatrien-18,17-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031913	19-Vouacapanol; 19-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031914	1a,2,2a,3,6,7,8,11,13a,13b-Decahydro-3-(2-pentenyl)-5H-oxireno[3,4-b]cyclopent[1,2-c]oxacyclotridecin-5-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031915	2,11-Dihydroxy-7,9(11),13-abietatrien-12-one; 2?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031916	2,12-Dihydroxy-8,11,13-abietatrien-7-one; 2?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031917	2,15-Dihydroxy-8,11,13-abietatrien-7-one; 2?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031918	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16-Lactone, 2-ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031919	2,17-Dihydroxy-2,15-beyeradien-1-one; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031920	2,19-Dihydroxy-2,15-beyeradien-1-one; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031921	2,6-Dihydroxy-1,4(18),15-erythroxylatrien-3-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031922	2,6-Dihydroxy-7,15-pimaradien-19-oic acid, 19?6 Lactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031923	2,9-Octadecadiene-4,6-diyne-1,18-diol, 1-Ac 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031924	2,9-Octadecadiene-4,6-diyne-1,18-diol, 18-Ac 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031925	2-Hydroxy-12,15-cassadiene-3,11-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031926	2-Hydroxy-3,13-clerodadien-16,15-olide, 2-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031927	2-Hydroxy-8(17),12,14-labdatrien-18-oic acid, 2-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031928	2-Hydroxy-8(17),13-labdadien-16,15-olide, 2-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031929	2-Hydroxy-8,11,13-abietatrien-18-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031930	2-Hydroxy-9(11),16-kauradien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031931	20-Oxo-3,13-clerodadien-16,15-olide; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031932	20-Oxo-3,7,11,15-cembratetraen-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031933	3,12-Cyathadiene-11,14,15-triol, 14-Ketone, 15-aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031934	3,12-Dihydroxy-8,11,13-abietatrien-1-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031935	3,12-Dihydroxy-8,11,13-abietatrien-7-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031936	3,13-Dihydroxy-16-atisen-14-one, 3-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031937	3,4-Epoxy-1(15),7,12-cembratrien-16,14-olide-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031938	3,7,11,15(17)-Cembratetraen-16,14-olide, 3R,4R-Epoxide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031939	3,7,11,15(17)-Cembratetraen-16,14-olide, 3R,4R-epoxide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031940	3,7,11,15(17)-Cembratetraen-16,2-olide, 11?,12?-Epoxide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031941	3,7,11,15(17)-Cembratetraen-16,2-olide, 7R,8R-Epoxide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031942	3,9-Calamenenediol, 9-Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031943	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(3,7-Dimethyl-2,6-octadienyl), 3'-Me ether 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031944	3-Hydroxy-12,15-cassadiene-2,11-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031945	3-Hydroxy-13(16),14-spongiadien-2-one; 3?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031946	3-Hydroxy-16-atisene-2,14-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031947	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031948	3-Hydroxy-8,11,13-abietatrien-18-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031949	3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methyl-2-butenoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031950	3-Hydroxy-9,11-eremophiladien-8-one, O-Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031951	3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methyl-2-butenoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031952	3-Hydroxy-9,11-eremophiladien-8-one, O-Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031953	3-Oxo-8(17),13-labdadien-15,16-olide; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031954	3-Oxo-8(17),13-labdadien-16,15-olide; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031955	4-Hydroxy-9-oxoprosta-5,10,14-trien-1-oic acid, ?-Lactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031956	4-Hydroxyretinoic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031957	5,10-Epoxy-11-hydroxy-1,15-rosadien-3-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031958	5,12-Dihydroxy-8,11,13-abietatrien-7-one; 5?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031959	5,8-Dihydroxy-14-serrulaten-18-al 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031960	5-Hydroxy-10-oxo-4,10-seco-2,13(15),17-spatatrien-12-al 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031961	5-Hydroxy-2-undecyl-4H-1-benzopyran-4-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031962	5-Hydroxy-3,12,14-visciatrien-16,13-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031963	5-Oxo-3-cyclovisciden-16,13-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031964	6,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone, 6-ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031965	6,11-Dihydroxy-7,9(11),13-abietatrien-12-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031966	6,12-Dihydroxy-8,11,13-abietatrien-7-one; 6?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031967	6,14-Dihydroxy-8,11,13-abietatrien-1-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031968	6,7-Dihydroxy-16-kauren-19-oic acid, 19?6 Lactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031969	6,7-Dihydroxy-8,13-abietadiene-11,12-dione, 6-Deoxy 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031970	6,7-Epoxy-1(19),10,12-xenicatrien-18,17-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031971	6,8,11,13-Abietatetraene-11,12,14-triol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031972	6,8,11,13-Abietatetraene-6,12,14-triol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031973	6-Hydroxy-3,13-clerodadien-15,16-olide, 6-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031974	6-Hydroxy-3,7,11,15-cembratetraene-5,10-dione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031975	6-Hydroxy-5-oxo-7,15(19)-fusicoccadien-17-al 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031976	6-Hydroxy-7-oxo-3,13-clerodadien-15,16-olide, 6-Deoxy 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031977	6-Hydroxy-8(17),11,13-labdatrien-16,15-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031978	6-Hydroxy-8,13-abietadiene-11,12-dione; 6?-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031979	6-Hydroxy-9(11),16-kauradien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031980	6-Oxo-12(18)-dolabellen-19,10-olide, 3,4-Didehydro (Z-) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031981	6-Oxo-12(18)-dolabellen-19,10-olide, 3,4-Didehydro(E-) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031982	6-Oxo-12(18)-dolabellen-19,10-olide, 4,16-Didehydro 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031983	6-Oxo-12(18)-dolabellen-19,10-olide, 4,5-Didehydro (Z-) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031984	6-Oxo-7,13-labdadien-15,16-olide; ent-form 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031985	7,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone, 7-ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031986	7,12-Dihydroxy-8,11,13-abietatrien-6-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031987	7,8-Epoxy-1(15),3,11-cembratrien-16,2-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031988	7,8-Epoxy-6-hydroxy-9(11),13-abietadien-12-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031989	7-Hydroxy-1(19),5,10,12-xenicatetraen-18,17-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031990	7-Hydroxy-1,3,11-cembratrien-20,8-olide, 7-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031991	7-Hydroxy-16-kauren-19-oic acid, 7-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031992	7-Hydroxy-8(14),13(15)-abietadien-16,12-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031993	7-Hydroxy-8(14),15-pimaradien-19-oic acid, 7-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031994	7-Hydroxy-8,15-pimaradien-19-oic acid, 7-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031995	7-Hydroxy-9(11),16-kauradien-19-oic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031996	7-Oxo-13(15)-abieten-16,12-olide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031997	8(14),15-Isopimaradiene-7,18-diol; 7?-form, 18-Carboxylic acid, 7-ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031998	8,11,13,15-Cleistanthatetraene-2,3,12-triol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ031999	8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032000	8,11,13-Abietatriene-12,18-diol; 18-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032001	8,11,13-Abietatriene-12,19-diol; 19-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032002	8,11,13-Abietatriene-12,20-diol; 20-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032003	8,11,13-Abietatriene-15,18-diol; 18-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032004	8,11,13-Abietatriene-15,19-diol; 19-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032005	8,11,13-Abietatriene-6,12-diol; 6?-form, 6-Ketone, 12-hydroperoxide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032006	8,11,13-Abietatriene-7,11,12-triol; 7?-form, 7-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032007	8,11,13-Abietatriene-7,15,18-triol; 7?-form, 18-Aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032008	8,11,13-Abietatriene-7,15,18-triol; 7?-form, 7-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032009	8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032010	8,11,13-Totaratriene-13,19-diol; 19-Carboxylic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032011	8-Hydroxy-1(10),4-cadinadien-3-one; 8-Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032012	8-Hydroxy-1,11-eremophiladien-9-one; 8?-form, ?1,10-Isomer, angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032013	8-Hydroxy-3-undecyl-1H-2-benzopyran-1-one 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032014	Agrostistachin; 6-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032015	Aldovibsanin A; 7-Deoxy, 6,7-didehydro 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032016	Allocyathin B3 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032017	Ambliofuran; 12-Oxo, 13-hydroxy 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032018	Antibiotic Sch 47918 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032019	Bacillariolide I 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032020	Cafestol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032021	Carnosol; Deoxo 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032022	Centipedic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032023	Chapecoderin C 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032024	Cinerin I 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032025	Dendrillolide C 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032026	Didemnilactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032027	Ecklonialactone E 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032028	Elisabethin A 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032029	Enestebol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032030	Estra-1,3,5(10)-triene-3,16,17-triol, 3,17-Di-Me ether 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032031	Estra-1,3,5(10)-triene-3,16,17-triol, 3,16-Di-Me ether 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032032	Formosanic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032033	Furanoeremophil-1(10)-en-3-ol, 3-(2-Methylbutanoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032034	Furanoeremophilan-1-ol, Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032035	Furanoeremophilan-2-ol, 3-Methyl-2-butenoyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032036	Furanoeremophilan-2-ol, Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032037	Furanoeremophilan-3-ol, Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032038	Furanoeremophilan-3-ol, Tigloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032039	Furanoeremophilan-6-ol, Angeloyl 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032040	Furanoeremophilan-6-ol, O-(3-Methyl-2-butenoyl) 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032041	Galeopsinolone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032042	Gestronol 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032043	Gibberellin A12; 7-Aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032044	Helioscopinolide A 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032045	Hybridalactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032046	Isojatrogrossidione 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032047	Jhanic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032048	Jolkinol C 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032049	Jolkinolide D 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032050	Koumbalone A 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032051	Koumbalone B 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032052	Marginatafuran 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032053	Phomactin B2 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032054	Sarcodonin A 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032055	Sarcopetaloic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032056	Sarcopetalololide; 3-Ketone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032057	Sarcophinone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032058	Sarsolide A 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032059	Saturolide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032060	Shikoccin; 3-Deacetoxy 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032061	Sollasin D 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032062	Standishinal 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032063	Terminalic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032064	Terminolic acid 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032065	Tricyclosolidagolactone 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032066	Wedeliasecokaurenolide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032067	Xeniaacetal 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032068	Xeniafaraunol A; 4?,5?-Epoxide 	C20H28O3	316.203844	NA	MeJP	NA	NA
+MJ032069	Gibberellin 12 aldehyde 	C20H28O3	316.203844	NA	MeJP	NA	NA
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	HMDB	NA	NA
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02808	phytocassane A []	C20H28O3	316.203845	NA	metacyc	NA	NA
+MetaCyc02809	GA12-aldehyde [gibberellin A12-aldehyde;gibberellin A12-aldehyde;GA12-aldehyde;]	C20H28O3	316.203845	NA	metacyc	NA	NA
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR160	15-deoxy-prostaglandinJ2 	C20H28O3	316.203845	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00344	2-Methoxyestradiol-3-methylether	C20H28O3	316.203857	NA	HMDB2010	NA	NA
+HMDB05079	15-Deoxy-d-12,14-PGJ2	C20H28O3	316.203857	NA	HMDB2010	NA	NA
+HMDB05832	6b-Hydroxymethandienone	C20H28O3	316.203857	NA	HMDB2010	NA	NA
+HMDB06254	4-Hydroxyretinoic acid	C20H28O3	316.203857	NA	HMDB2010	NA	NA
+HMDB12451	all-trans-5,6-Epoxyretinoic acid	C20H28O3	316.203857	NA	HMDB2010	NA	NA
+HMDB12452	all-trans-18-Hydroxyretinoic acid	C20H28O3	316.203857	NA	HMDB2010	NA	NA
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR476	15ketoProstaglandinF2? F3	NA	316.206025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR476	15ketoProstaglandinF2? F3	NA	316.206025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR476	15ketoProstaglandinF2? F3	NA	316.206025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR476	15ketoProstaglandinF2? F3	NA	316.206025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR476	15ketoProstaglandinF2? F3	F3	316.206025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ032070	Antibiotic KA 6606XV 	C14H28N4O4	316.211055	NA	MeJP	NA	NA
+PJ000271	GLK 	C14H28N4O4	316.2111	NA	PeJP	NA	NA
+MJ032071	3-(14-Nitro-3-tetradecenyl)pyridine, 3',4'-Didehydro 	C19H28N2O2	316.215078	NA	MeJP	NA	NA
+MJ032072	Benzastatin A 	C19H28N2O2	316.215078	NA	MeJP	NA	NA
+MJ032073	2-(9-Decenyl)phenanthrene 	C24H28	316.2191	NA	MeJP	NA	NA
+MJ032074	9-Hydroxyheptadecanedioic acid 	C17H32O5	316.224974	NA	MeJP	NA	NA
+MJ032075	Butalamine 	C18H28N4O	316.226311	NA	MeJP	NA	NA
+C01953	Pregnenolone	C21H32O2	316.2402	NA	KEGG	NA	NA
+C03681	5alpha-Pregnane-3,20-dione	C21H32O2	316.2402	NA	KEGG	NA	NA
+C03965	(S)-20-Hydroxypregn-4-en-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+C03968	1-Alkyl-sn-glycero-3-phosphate	C3H8O6PR	316.2402	NA	KEGG	NA	NA
+C04042	20alpha-Hydroxy-4-pregnen-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+C05479	5beta-Pregnane-3,20-dione	C21H32O2	316.2402	NA	KEGG	NA	NA
+C10839	Urushiol III	C21H32O2	316.2402	NA	KEGG	NA	NA
+C14475	Bolasterone	C21H32O2	316.2402	NA	KEGG	NA	NA
+C14962	17-Hydroxy-5alpha,17alpha-pregn-1-en-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+C15012	17beta-Hydroxy-2,17-dimethyl-5alpha-androst-1-en-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+C15108	17beta-Hydroxy-6alpha,17-dimethylandrost-4-en-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+C15156	3-Acetyl-5alpha-androst-2-en-17beta-ol	C21H32O2	316.2402	NA	KEGG	NA	NA
+C15199	3-Ethynyl-5alpha-androstane-3beta,17beta-diol	C21H32O2	316.2402	NA	KEGG	NA	NA
+C15334	17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+C15339	17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one	C21H32O2	316.2402	NA	KEGG	NA	NA
+HMDB00253	Pregnenolone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB00253	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03069	20alpha-Dihydroprogesterone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB03069	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03759	5alpha-Pregnane-3,20-dione	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB03759	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00253	Pregnenolone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB00253	HMDB	NA	NA
+HMDB03069	20alpha-Dihydroprogesterone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB03069	HMDB	NA	NA
+HMDB03759	5alpha-Pregnane-3,20-dione	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB03759	HMDB	NA	NA
+HMDB04627	Calusterone 	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB04627	HMDB	NA	NA
+HMDB06002	Ethyltestosterone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB06002	HMDB	NA	NA
+HMDB06026	Norbolethone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB06026	HMDB	NA	NA
+HMDB06048	Bolasterone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB06048	HMDB	NA	NA
+MJ032076	1,3,7,11-Cembratetraen-16-ol, Carboxylic acid, Me ester 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032077	1,6,9,12,15,18-Heneicosahexaene, 6,7:15,16-Diepoxide 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032078	1,6,9,12,15,18-Heneicosahexaene, 9,10:15,16-Diepoxide 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032079	1-(3,4-Methylenedioxyphenyl)-1-tetradecene 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032080	1-Phenyl-1,3-pentadecanedione 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032081	16-Hydroxypregn-4-en-3-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032082	16-Kauren-19-ol; ent-form, 19-Carboxylic acid, Me ester 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032083	17-(2-Furanyl)-3,7,9-heptadecatrien-6-ol 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032084	17-Hydroxy-7,17-dimethylandrost-4-en-3-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032085	20-Hydroxypregn-4-en-3-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032086	3,13(16),14-Clerodatrien-18-oic acid, Me ester 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032087	3-Hexadecyl-5-methylene-2(5H)-furanone; 8',9',11',12'-Tetradehydro(Z,Z-) 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032088	3-Hydroxypregn-14-en-20-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032089	3-Hydroxypregn-16-en-20-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032090	3-Hydroxypregn-5-en-20-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032091	3-Pentadecyl-1,2-benzenediol; 10',11',13',14'-Tetradehydro(10'Z,13'E) 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032092	3-Pentadecyl-1,2-benzenediol; 7',8',10',11'-Tetradehydro 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032093	3-Pentadecyl-1,2-benzenediol; 8',9',11',12'-Tetradehydro(Z,Z-) 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032094	5-Pentadecyl-1,3-benzenediol; 8',9'Z,11',12'Z-Tetradehydro 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032095	8,11,13-Abietatriene-11,12-diol; 12-Me ether 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032096	8,11,13-Abietatriene-3,12-diol; 3?-form, 12-Me ether 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032097	8,11,13-Icetexatriene-10,12-diol; 10?-form, 12-Me ether 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032098	8,11,13-Totaratriene-12,13-diol; 12-Me ether 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032099	Cannabigerol 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032100	Cyclopregnol 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032101	Norboletone 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032102	Pregna-5,14-diene-3,20-diol 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032103	Pregnane-3,20-dione 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032104	Tetranorcacospongionolide B 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032105	Tricyclodictyofuran A; 9-Deoxy, 19?-methoxy 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032106	5alpha-Pregnane-3,20-dione 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032107	5beta-Pregnane-3,20-dione 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032108	20alpha-Hydroxy-4-pregnen-3-one 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MJ032109	Pregnenolone 	C21H32O2	316.24023	NA	MeJP	NA	NA
+MetaCyc02810	pregnenolone []	C21H32O2	316.24023	145-13-1	metacyc	NA	NA
+MetaCyc02811	5-&beta;-pregnan-3,20 dione []	C21H32O2	316.24023	NA	metacyc	NA	NA
+MetaCyc02812	3-&beta;-hydroxypregn-5-en-20-one [5-pregnen-3-&beta;-ol-20-one;1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone;]	C21H32O2	316.24023	NA	metacyc	NA	NA
+MetaCyc02813	5&alpha;-pregnan-3,20-dione []	C21H32O2	316.24023	566-65-4	metacyc	NA	NA
+HMDB00253	Pregnenolone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB00253	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03069	20alpha-Dihydroprogesterone	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB03069	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03759	5alpha-Pregnane-3,20-dione	C21H32O2	316.24023	http://www.hmdb.ca/metabolites/HMDB03759	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00253	Pregnenolone	C21H32O2	316.24023	HMDB00253	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03069	20alpha-Dihydroprogesterone	C21H32O2	316.24023	HMDB03069	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03759	5alpha-Pregnane-3,20-dione	C21H32O2	316.24023	HMDB03759	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04627	Calusterone 	C21H32O2	316.24023	HMDB04627	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06002	Ethyltestosterone	C21H32O2	316.24023	HMDB06002	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06026	Norbolethone	C21H32O2	316.24023	HMDB06026	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06048	Bolasterone	C21H32O2	316.24023	HMDB06048	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00253	Pregnenolone	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+HMDB03069	20a-Dihydroprogesterone	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+HMDB03759	5a-Pregnane-3,20-dione	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+HMDB04627	Calusterone	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+HMDB06002	Ethyltestosterone	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+HMDB06026	Norbolethone	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+HMDB06048	Bolasterone	C21H32O2	316.240234	NA	HMDB2010	NA	NA
+MJ032110	18-Fluoro-9-octadecenoic acid, 9,10-Epoxide 	C18H33FO3	316.241373	NA	MeJP	NA	NA
+CJpos0746	Decanoylcarnitine isomer [(M+H)]+ (13C)	C1613CH34NO4	316.243775	C18rt(min)=8.74 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0747	Decanoylcarnitine [(M+H)]+ (13C)	C1613CH34NO4	316.243775	C18rt(min)=8.97 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0746	Decanoylcarnitine isomer [(M+H)]+ (13C)	C1613CH34NO4	316.243775	C18rt(min)=8.74 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0747	Decanoylcarnitine [(M+H)]+ (13C)	C1613CH34NO4	316.243775	C18rt(min)=8.97 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ032111	Hachijodines; Hachijodine F 	C20H32N2O	316.251463	NA	MeJP	NA	NA
+MJ032112	Ikimine D 	C20H32N2O	316.251463	NA	MeJP	NA	NA
+MJ032113	Niphatesine E; 20,N-Dihydro 	C20H32N2O	316.251463	NA	MeJP	NA	NA
+HMDB11532	MG(0:0/15:0/0:0)	C18H36O4	316.261353	NA	HMDB2010	NA	NA
+HMDB11563	MG(15:0/0:0/0:0)	C18H36O4	316.261353	NA	HMDB2010	NA	NA
+MJ032114	10,18-Dihydroxyoctadecanoic acid 	C18H36O4	316.261359	NA	MeJP	NA	NA
+MJ032115	15,16-Dihydroxyoctadecanoic acid 	C18H36O4	316.261359	NA	MeJP	NA	NA
+MJ032116	9,10-Dihydroxyoctadecanoic acid 	C18H36O4	316.261359	NA	MeJP	NA	NA
+MJ032117	9,14-Dihydroxyoctadecanoic acid 	C18H36O4	316.261359	NA	MeJP	NA	NA
+MJ032118	9,18-Dihydroxyoctadecanoic acid 	C18H36O4	316.261359	NA	MeJP	NA	NA
+MJ032119	Glycerol 1-alkanoates; Glycerol 12S-methyltetradecanoate 	C18H36O4	316.261359	NA	MeJP	NA	NA
+C08314	(9R,10R)-Dihydroxyoctadecanoic acid	C18H36O4	316.2614	NA	KEGG	NA	NA
+C15988	(9S,10S)-9,10-Dihydroxyoctadecanoate	C18H36O4	316.2614	NA	KEGG	NA	NA
+C14933	17-Propyl-5alpha-androst-2-en-17beta-ol	C22H36O	316.2766	NA	KEGG	NA	NA
+MJ032120	Mansumbinol 	C22H36O	316.276615	NA	MeJP	NA	NA
+MJ032121	Pregn-5-ene-3,20-diamine 	C21H36N2	316.287849	NA	MeJP	NA	NA
+C13859	1-O-Hexadecyl-sn-glycerol	C19H40O3	316.2977	NA	KEGG	NA	NA
+MJ032122	1,2,4-Nonadecanetriol 	C19H40O3	316.297745	NA	MeJP	NA	NA
+MJ032123	3-Hexadecyloxy-1,2-propanediol 	C19H40O3	316.297745	NA	MeJP	NA	NA
+MJ032124	Homocaldohexamine 	C16H40N6	316.331445	NA	MeJP	NA	NA
+C11063	Chlornitrofen	C12H6Cl3NO3	316.9413	NA	KEGG	NA	NA
+MJ032125	Phosmet, ESA 	C11H12NO4PS2	316.994535	NA	MeJP	NA	NA
+C02996	Meclofenamate sodium	C14H10Cl2NO2	316.9986	NA	KEGG	NA	NA
+C11018	Azinphos methyl	C10H12N3O3PS2	317.0058	NA	KEGG	NA	NA
+C04336	N-Glycolyl-D-mannosamine 6-phosphate	C8H16NO10P	317.0512	NA	KEGG	NA	NA
+C08164	Nilutamide	C12H10F3N3O4	317.0623	NA	KEGG	NA	NA
+C08165	Transferred to D00966	C12H10F3N3O4	317.0623	NA	KEGG	NA	NA
+MJ032126	Nilutamide 	C12H10F3N3O4	317.06234	NA	MeJP	NA	NA
+C08727	Petunidin	C16H13O7	317.0661	NA	KEGG	NA	NA
+FL7ABGNS0001	Pulchellidin	C16H13O7	317.06612	19077-86-2	knapsack	NA	NA
+HMDB03173	Petunidin	C16H13O7	317.06613	http://www.hmdb.ca/metabolites/HMDB03173	HMDB	NA	NA
+HMDB03173	Petunidin	C16H13O7	317.06613	HMDB03173	PFEM_hmdb_metabocards_official	NA	NA
+MJ032127	Annobraine 	C19H11NO4	317.068807	NA	MeJP	NA	NA
+MJ032128	Avicine; De-N-Me 	C19H11NO4	317.068807	NA	MeJP	NA	NA
+MJ032129	Lettowianthine 	C19H11NO4	317.068807	NA	MeJP	NA	NA
+MJ032130	Norsanguinarine 	C19H11NO4	317.068807	NA	MeJP	NA	NA
+MJ032131	9,10-Demethylenesanguinarine; 9,10-Quinone 	C19H12NO4(+)	317.068807	NA	MeJP	NA	NA
+MJ032132	Polyoxin C 	C11H15N3O8	317.085914	NA	MeJP	NA	NA
+MJ032133	1,2,3,5,6-Pentahydroxyacridone; 2,3,10-Tri-Me 	C16H15NO6	317.089937	NA	MeJP	NA	NA
+MJ032134	1,2,3,5,6-Pentahydroxyacridone; 2,5,10-Tri-Me 	C16H15NO6	317.089937	NA	MeJP	NA	NA
+MJ032135	1,3,4,5,6-Pentahydroxyacridone; N,O3,O6-Tri-Me 	C16H15NO6	317.089937	NA	MeJP	NA	NA
+MJ032136	1,3,4,5,6-Pentahydroxyacridone; N,O4,O5-Tri-Me 	C16H15NO6	317.089937	NA	MeJP	NA	NA
+MJ032137	2-Benzamidobenzoic acid; 2'-Hydroxy, 4,4'-dimethoxy 	C16H15NO6	317.089937	NA	MeJP	NA	NA
+MJ032138	Schumannificine 	C16H15NO6	317.089937	NA	MeJP	NA	NA
+FL7DECNS0002	5,4'-Dimethyl-6-hydroxyluteolinidin;6,7,3'-Trihydroxy-5,4'-dimethoxy-flavylium	C17H17O6	317.10251	-	knapsack	NA	NA
+MJ032139	Murrapanine 	C20H15NO3	317.105193	NA	MeJP	NA	NA
+MJ032140	Oxyphenisatin 	C20H15NO3	317.105193	NA	MeJP	NA	NA
+MJ032141	Mycosporin glutamicol; 5'-Carboxylic acid 	C13H19NO8	317.111066	NA	MeJP	NA	NA
+MJ032142	Cystodytins; Cystodytin A, N-Deacyl, N-Ac 	C19H15N3O2	317.116426	NA	MeJP	NA	NA
+MJ032143	Dihydrorutaecarpine; N14-Formyl 	C19H15N3O2	317.116426	NA	MeJP	NA	NA
+MJ032144	Hortiacine 	C19H15N3O2	317.116426	NA	MeJP	NA	NA
+MJ032145	Pauridianthine; 1''?-Alcohol 	C19H15N3O2	317.116426	NA	MeJP	NA	NA
+MJ032146	Rutaecarpine; 1-Methoxy 	C19H15N3O2	317.116426	NA	MeJP	NA	NA
+MJ032147	6-Chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)-1H-3-benzazepine-7,8-diol 	C18H20ClNO2	317.118256	NA	MeJP	NA	NA
+PJ000272	SPD 	C12H19N3O7	317.1223	NA	PeJP	NA	NA
+C10166	Piplartine	C17H19NO5	317.1263	NA	KEGG	NA	NA
+C12168	Crinamidine	C17H19NO5	317.1263	NA	KEGG	NA	NA
+C12174	Haemanthidine	C17H19NO5	317.1263	NA	KEGG	NA	NA
+C12239	9-O-Demethyl-2alpha-hydroxyhomolycorine	C17H19NO5	317.1263	NA	KEGG	NA	NA
+MJ032148	2,4-Dimethoxy-7,8-methylenedioxy-3-prenylquinoline; 2'R,3'-Epoxide 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032149	2,4-Dimethoxy-7,8-methylenedioxy-3-prenylquinoline; ?3'-Isomer, 2'-hydroxy 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032150	4-Hydroxy-3-methoxyphenethylamine; N-(2-Hydroxy-5-methoxybenzoyl) 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032151	6-Hydroxycrinamine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032152	Cliviahaksine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032153	Clivonine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032154	Crinamidine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032155	Criwelline, O-De-Me 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032156	Demethylneodrupacine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032157	Dubinidine; 2'-Ac 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032158	Falcatine; 2?-Hydroxy 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032159	Flexamine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032160	Flexine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032161	Furo[2,3-b]quinoline-4,7-diol; OH-form, 7-O-(2,3-Dihydroxy-3-methylbutyl), O4-Me 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032162	Haemanthamine, 4?-Hydroxy 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032163	Haemanthidine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032164	Homolycorine; 5?-Hydroxy, 10-O-de-Me 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032165	Homolycorine; O9-De-Me, N-oxide (?-) 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032166	Lunidonine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032167	Lutessine; De-Ac 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032168	Orixine, 3'-Deoxy, 2'-ketone 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032169	Piplartine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032170	Powelline; 6?-Hydroxy 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032171	Pteleprenine; ?3',4'-Isomer, 2'?-hydroxy 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032172	Tazettine, O-De-Me 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032173	Ungminorine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032174	Ungspiroline; 1,2-Dihydro 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+MJ032175	Vallotine 	C17H19NO5	317.126322	NA	MeJP	NA	NA
+PJ000273	GNQ 	C11H19N5O6	317.1335	NA	PeJP	NA	NA
+PJ000274	GGGQ 	C11H19N5O6	317.1336	NA	PeJP	NA	NA
+MJ032176	N2-[5-(4-Aminophenyl)-2,4-pentadienoyl]glutamine 	C16H19N3O4	317.137556	NA	MeJP	NA	NA
+PJ000275	APM 	C13H23N3O4S	317.1409	NA	PeJP	NA	NA
+MJ032177	5-[2-(Dimethylamino)ethoxy]-7H-benzo[c]fluoren-7-one 	C21H19NO2	317.141578	NA	MeJP	NA	NA
+MJ032178	Cyclo(arginyldehydrotyrosyl) 	C15H19N5O3	317.148789	NA	MeJP	NA	NA
+MJ032179	N?-(1H-Indol-3-ylcarbonyl)arginine 	C15H19N5O3	317.148789	NA	MeJP	NA	NA
+MJ032180	Angustine; 3,14,18,19-Tetrahydro 	C20H19N3O	317.152812	NA	MeJP	NA	NA
+MJ032181	Mecloxamine 	C19H24ClNO	317.154642	NA	MeJP	NA	NA
+PJ000276	GLE 	C13H23N3O6	317.1587	NA	PeJP	NA	NA
+MJ032182	Kikumycin A; Pyrrolo-N-Me 	C14H19N7O2	317.160022	NA	MeJP	NA	NA
+C08516	Amaryllisine	C18H23NO4	317.1627	NA	KEGG	NA	NA
+C08530	Lycorenine	C18H23NO4	317.1627	NA	KEGG	NA	NA
+C10692	Haplophyllidine	C18H23NO4	317.1627	NA	KEGG	NA	NA
+C12238	Papyramine	C18H23NO4	317.1627	NA	KEGG	NA	NA
+C13730	LY382884	C18H23NO4	317.1627	NA	KEGG	NA	NA
+C14988	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol	C18H23NO4	317.1627	NA	KEGG	NA	NA
+C15007	2-Nitroestra-1,3,5(10)-triene-3,17beta-diol	C18H23NO4	317.1627	NA	KEGG	NA	NA
+MJ032183	6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032184	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3-Hydroxy-4-methoxycinnamoyl) 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032185	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Phenylacetyl, 6-Ac 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032186	Amaryllisine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032187	Anhydroperforine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032188	Arbutamine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032189	Denopamine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032190	Erysopitine; O15-Me 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032191	Erysopitine; O16-Me 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032192	Galanthine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032193	Haplophyllidine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032194	Kesselridine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032195	Lunacridine, 3',4'-Didehydro, Me ether 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032196	Lycorenine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032197	Maritidine, 3-Epimer, 1,2-dihydro, O9-de-Me, O3-Ac 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032198	Misramine; O2-De-Me 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032199	Pandamarilactone 1 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032200	Pandamarilactonine A 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032201	Pandanamine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032202	Papyramine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032203	Preskimmianine; N-Me 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032204	Selaginoidine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032205	Stemonamine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032206	Wisanine, 4,5-Dihydro 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+MJ032207	Zaidine 	C18H23NO4	317.162708	NA	MeJP	NA	NA
+3389	ACE inhibitor from alphas1-CN	LW	317.163	celiac toxic	Inhouse_peptide	NA	peptide
+7544	ACE inhibitor	IW	317.163	antioxidative	Inhouse_peptide	NA	peptide
+C13794	Pitrazepin	C19H19N5	317.164	NA	KEGG	NA	NA
+MJ032208	Pitrazepin 	C19H19N5	317.164045	NA	MeJP	NA	NA
+PJ000277	GNK 	C12H23N5O5	317.1699	NA	PeJP	NA	NA
+PJ000278	LW 	C17H23N3O3	317.174	NA	PeJP	NA	NA
+MJ032209	N-(1-Ethylhexahydro-1H-azepin-3-yl)-6-methoxy-1H-benzotriazole-5-carboxamide 	C16H23N5O2	317.185175	NA	MeJP	NA	NA
+MJ032210	4-[3-(5,6-Dihydro[2,3'-bipyridin]-3(4H)-ylidene)-1-propenyl]-N,N-dimethylbenzenamine 	C21H23N3	317.189197	NA	MeJP	NA	NA
+PJ000279	SVL 	C14H27N3O5	317.1951	NA	PeJP	NA	NA
+MJ032211	Glaucescine 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+MJ032212	Glaucescinine 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+MJ032213	Lobscurinol; Ac 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+MJ032214	Nateglinide 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+MJ032215	Protoemetine 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+MJ032216	Tetrabenazine 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+MJ032217	Trigamine 	C19H27NO3	317.199093	NA	MeJP	NA	NA
+C11168	Tetrabenazine	C19H27NO3	317.1991	NA	KEGG	NA	NA
+C11816	Protoemetine	C19H27NO3	317.1991	NA	KEGG	NA	NA
+C12508	Nateglinide	C19H27NO3	317.1991	NA	KEGG	NA	NA
+C12509	Transferred to D01112	C19H27NO3	317.1991	NA	KEGG	NA	NA
+C12510	Transferred to D01113	C19H27NO3	317.1991	NA	KEGG	NA	NA
+C12511	Transferred to D01114	C19H27NO3	317.1991	NA	KEGG	NA	NA
+MJ032218	Mayfoline; N-Deoxy, N-Ac 	C18H27N3O2	317.210327	NA	MeJP	NA	NA
+MJ032219	Butenafine 	C23H27N	317.214349	NA	MeJP	NA	NA
+C08067	Butenafine	C23H27N	317.2144	NA	KEGG	NA	NA
+MJ032220	Drofenine 	C20H31NO2	317.235479	NA	MeJP	NA	NA
+MJ032221	Himgaline 	C20H31NO2	317.235479	NA	MeJP	NA	NA
+MJ032222	Metcaraphen 	C20H31NO2	317.235479	NA	MeJP	NA	NA
+C15175	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one	C20H31NO2	317.2355	NA	KEGG	NA	NA
+C07811	Hexocyclium	C20H33N2O	317.2593	NA	KEGG	NA	NA
+C07812	Transferred to D00688	C20H33N2O	317.2593	NA	KEGG	NA	NA
+MJ032223	2-Benzyl-3-hydroxy-1-methyl-5-nonylpyrrolidine 	C21H35NO	317.271864	NA	MeJP	NA	NA
+MJ032224	20-Aminopregn-5-en-3-ol 	C21H35NO	317.271864	NA	MeJP	NA	NA
+MJ032225	3-Aminopregn-5-en-20-ol 	C21H35NO	317.271864	NA	MeJP	NA	NA
+MJ032226	3-Aminopregnan-20-one 	C21H35NO	317.271864	NA	MeJP	NA	NA
+MJ032227	Amorolfine 	C21H35NO	317.271864	NA	MeJP	NA	NA
+MJ032228	Irnigaine 	C21H35NO	317.271864	NA	MeJP	NA	NA
+MJ032229	Irniine, 2''-Methoxy 	C21H35NO	317.271864	NA	MeJP	NA	NA
+C10806	Funtumine	C21H35NO	317.2719	NA	KEGG	NA	NA
+MJ032230	Dasycarpine 	C20H35N3	317.283098	NA	MeJP	NA	NA
+MJ032231	Ormosanine 	C20H35N3	317.283098	NA	MeJP	NA	NA
+MJ032232	Piptanthine 	C20H35N3	317.283098	NA	MeJP	NA	NA
+MJ032233	Templetine 	C20H35N3	317.283098	NA	MeJP	NA	NA
+C10777	(-)-Ormosanine	C20H35N3	317.2831	NA	KEGG	NA	NA
+C10779	Piptanthine	C20H35N3	317.2831	NA	KEGG	NA	NA
+C10786	Templetine	C20H35N3	317.2831	NA	KEGG	NA	NA
+MJ032234	2-Amino-1,3,4-octadecanetriol 	C18H39NO3	317.292994	NA	MeJP	NA	NA
+MetaCyc02814	4-hydroxysphinganine [PHS;phytosphingosine;]	C18H39N1O3	317.292994	NA	metacyc	NA	NA
+HMDB04610	Phytosphingosine	C18H39NO3	317.292999	NA	HMDB2010	NA	NA
+HMDB04610	Phytosphingosine	C18H39NO3	317.293	http://www.hmdb.ca/metabolites/HMDB04610	HMDB	NA	NA
+C12144	Phytosphingosine	C18H39NO3	317.293	NA	KEGG	NA	NA
+C12145	Phytoceramide	C19H38NO4R	317.293	NA	KEGG	NA	NA
+C12146	C26-CoA	C22H35N7O17P3SR	317.293	NA	KEGG	NA	NA
+HMDB04610	Phytosphingosine	C18H39NO3	317.293	HMDB04610	PFEM_hmdb_metabocards_official	NA	NA
+7694	ACE inhibitor from wakame	YKYY	317.6415	MH2+	Inhouse_peptide	NA	peptide
+2712	erythromycin inhibitor	MKLNM	317.65085	MH2+	Inhouse_peptide	NA	peptide
+MJ032235	7-Bromo-5,6,8-trichloro-6-methyl-1,4-octadien-3-one 	C9H10BrCl3O	317.89806	NA	MeJP	NA	NA
+MJ032236	Tiludronic acid 	C7H9ClO6P2S	317.928359	NA	MeJP	NA	NA
+C08141	Tiludronic acid	C7H9ClO6P2S	317.9284	NA	KEGG	NA	NA
+C17106	Mertensene	C10H14BrCl3	317.9344	NA	KEGG	NA	NA
+C17109	Plocamene C	C10H14BrCl3	317.9344	NA	KEGG	NA	NA
+MJ032237	3-(Bromomethyl)-2,3,6-trichloro-7-methyl-1,6-octadiene 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032238	4-Bromo-1,5-dichloro-2-chloroethenyl-1,5-dimethylcyclohexane 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032239	4-Bromo-1,6,8-trichloro-2-ochtodene 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032240	6-Bromo-1,2,8-trichloro-3-ochtodene 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032241	6-Bromo-1,4,8-trichloro-2-ochtodene 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032242	Mertensene 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032243	Plocamene C 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032244	Telfairine 	C10H14BrCl3	317.934446	NA	MeJP	NA	NA
+MJ032245	1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane 	C14H10Cl4	317.953661	NA	MeJP	NA	NA
+MJ032246	Mitotane 	C14H10Cl4	317.953661	NA	MeJP	NA	NA
+C06636	1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethane	C14H10Cl4	317.9537	NA	KEGG	NA	NA
+C14714	2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	C14H10Cl4	317.9537	NA	KEGG	NA	NA
+MJ032247	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 6-O-sulfate 	C11H10O9S	318.004552	NA	MeJP	NA	NA
+MJ032248	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 8-O-sulfate 	C11H10O9S	318.004552	NA	MeJP	NA	NA
+MJ032249	Diaporthin, 3',3'-Dichloro 	C13H12Cl2O5	318.006178	NA	MeJP	NA	NA
+MJ032250	Aplysinopsin; 6-Bromo, 2'-N-de-Me 	C13H11BrN4O	318.011623	NA	MeJP	NA	NA
+MJ032251	Aplysinopsin; 6-Bromo, 4'-N-de-Me 	C13H11BrN4O	318.011623	NA	MeJP	NA	NA
+MJ032252	5-Chloro-3-(phenylthio)-1H-indole-2-carboxamide; S-Oxide 	C15H11ClN2O2S	318.022976	NA	MeJP	NA	NA
+MJ032253	1-Chloro-2,4,5-trihydroxy-7-methylanthraquinone; 5-Me ether 	C16H11ClO5	318.029501	NA	MeJP	NA	NA
+MJ032254	2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 3-Me ether 	C16H11ClO5	318.029501	NA	MeJP	NA	NA
+MJ032255	2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 8-Me ether 	C16H11ClO5	318.029501	NA	MeJP	NA	NA
+MJ032256	4'-Chlorodiazepam 	C16H12Cl2N2O	318.032668	NA	MeJP	NA	NA
+MJ032257	Cloroqualone 	C16H12Cl2N2O	318.032668	NA	MeJP	NA	NA
+MJ032258	3-Deoxy-D-manno-octulosonate 8-phosphate 	C8H15O11P	318.035197	NA	MeJP	NA	NA
+MetaCyc02815	3-deoxy-D-manno-octulosonate 8-P [3-deoxy-D-manno-octulosonate 8-phosphate;2-dehydro-3-deoxy-D-octonate 8-P;2-dehydro-3-deoxy-D-octonate 8-phosphate;KDO-8P;]	C8H15O11P1	318.035198	NA	metacyc	NA	NA
+C04478	3-Deoxy-D-manno-octulosonate 8-phosphate	C8H15O11P	318.0352	NA	KEGG	NA	NA
+JH217	Myricetin [M+H]+	C15H10O8	318.037	15.78	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH217	Myricetin [M+H]+	C15H10O8	318.037	15.78	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH217	Myricetin [M+H]+	C15H10O8	318.037	15.78	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH217	Myricetin [M+H]+	C15H10O8	318.037	15.78	Inhousejuil11	NA	NA
+FL3FGCNS0015	5,6,7,8,3',4'-Hexahydroxyflavone;Bitalgenin;Bitalosidin;Majoranetin;Nornobiletin;2-(3,4-Dihydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one	C15H10O8	318.03756	2192-25-8	knapsack	NA	NA
+FL5F9GNS0001	3,5,8,3',4',5'-Hexahydroxyflavone	C15H10O8	318.03756	90332-28-8	knapsack	NA	NA
+FL5FAGNS0001	Myricetin	C15H10O8	318.03756	529-44-2	knapsack	NA	NA
+FL5FALNS0007	5'-Hydroxymorin	C15H10O8	318.03756	37751-25-0	knapsack	NA	NA
+FL5FECNS0002	Quercetagetin	C15H10O8	318.03756	90-18-6	knapsack	NA	NA
+FL5FFCNS0001	Gossypetin	C15H10O8	318.03756	489-35-0	knapsack	NA	NA
+FLIIACNM0001	Norwedelic acid;5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid	C15H10O8	318.03756	100288-12-8	knapsack	NA	NA
+HMDB02755	Myricetin	C15H10O8	318.037567	NA	HMDB2010	NA	NA
+MJ032259	1,2,3,4,5,6-Hexahydroxy-7-methylanthraquinone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032260	1,2,5,6,8-Pentahydroxy-3-hydroxymethylanthraquinone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032261	2',3,4',5,5',7-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032262	2',4',5,5',6,7-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032263	2,4,7-Trihydroxy-5-methyl-1,8-naphthalenedicarboxylic acid; Anhydride, 6-O-methoxycarbonyl 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032264	3',4',5,5',7,8-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032265	3,3',4',5,5',7-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032266	3,3',4',5,5',8-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032267	3,3',4',5,6,7-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032268	3,3',4',5,7,8-Hexahydroxyflavone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032269	3,4,6,8-Tetrahydroxyxanthone-1-carboxylic acid; 6-Me ether 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032270	Lateropyrone 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032271	Norwedelic acid 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MJ032272	Rhodocladonic acid 	C15H10O8	318.037567	NA	MeJP	NA	NA
+MetaCyc02816	myricetin []	C15H10O8	318.037567	NA	metacyc	NA	NA
+MetaCyc02817	3,3',4',5,7,8-hexahydroxyflavone [2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-chromen-4-one;]	C15H10O8	318.037567	NA	metacyc	NA	NA
+HMDB02755	Myricetin	C15H10O8	318.03757	http://www.hmdb.ca/metabolites/HMDB02755	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02755	Myricetin	C15H10O8	318.03757	http://www.hmdb.ca/metabolites/HMDB02755	HMDB	NA	NA
+HMDB02755	Myricetin	C15H10O8	318.03757	http://www.hmdb.ca/metabolites/HMDB02755	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02755	Myricetin	C15H10O8	318.03757	HMDB02755	PFEM_hmdb_metabocards_official	NA	NA
+C04109	3,3',4',5,7,8-Hexahydroxyflavone	C15H10O8	318.0376	NA	KEGG	NA	NA
+C10107	Myricetin	C15H10O8	318.0376	NA	KEGG	NA	NA
+C10122	Quercetagetin	C15H10O8	318.0376	NA	KEGG	NA	NA
+MJ032273	Haemofluorone B 	C19H10O5	318.052823	NA	MeJP	NA	NA
+MJ032274	2,2-Dichlorovinyl methyl octyl phosphate 	C11H21Cl2O4P	318.055451	NA	MeJP	NA	NA
+MJ032275	Flutemazepam 	C16H12ClFN2O2	318.057133	NA	MeJP	NA	NA
+C07488	DMPP	C12H19N2	318.0593	NA	KEGG	NA	NA
+MJ032276	Clotiazepam 	C16H15ClN2OS	318.059361	NA	MeJP	NA	NA
+HMDB04068	Melanin	C18H10N2O4	318.064056	NA	HMDB2010	NA	NA
+MJ032277	Prekinamycin 	C18H10N2O4	318.064056	NA	MeJP	NA	NA
+HMDB04068	Melanin	C18H10N2O4	318.06406	http://www.hmdb.ca/metabolites/HMDB04068	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04068	Melanin	C18H10N2O4	318.06406	http://www.hmdb.ca/metabolites/HMDB04068	HMDB	NA	NA
+HMDB04068	Melanin	C18H10N2O4	318.06406	http://www.hmdb.ca/metabolites/HMDB04068	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04068	Melanin	C18H10N2O4	318.06406	HMDB04068	PFEM_hmdb_metabocards_official	NA	NA
+C12393	Prekinamycin	C18H10N2O4	318.0641	NA	KEGG	NA	NA
+MJ032278	Losmiprofen 	C17H15ClO4	318.065886	NA	MeJP	NA	NA
+MJ032279	5-Hydroxyuridine; 5-O-(Carboxymethyl) 	C11H14N2O9	318.06993	NA	MeJP	NA	NA
+MJ032280	Uridine-5-acetic acid; 1''S-Hydroxy 	C11H14N2O9	318.06993	NA	MeJP	NA	NA
+HMDB01941	Brompheniramine	C16H19BrN2	318.07315	http://www.hmdb.ca/metabolites/HMDB01941	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01941	Brompheniramine	C16H19BrN2	318.07315	http://www.hmdb.ca/metabolites/HMDB01941	HMDB	NA	NA
+HMDB01941	Brompheniramine	C16H19BrN2	318.07315	http://www.hmdb.ca/metabolites/HMDB01941	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01941	Brompheniramine	C16H19BrN2	318.07315	HMDB01941	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01941	Brompheniramine	C16H19BrN2	318.073151	NA	HMDB2010	NA	NA
+MJ032281	Brompheniramine 	C16H19BrN2	318.073161	NA	MeJP	NA	NA
+MJ032282	Festuclavine; 2-Bromo 	C16H19BrN2	318.073161	NA	MeJP	NA	NA
+MJ032283	Flustramine C 	C16H19BrN2	318.073161	NA	MeJP	NA	NA
+C06857	Brompheniramine	C16H19BrN2	318.0732	NA	KEGG	NA	NA
+C06858	Transferred to D00246	C16H19BrN2	318.0732	NA	KEGG	NA	NA
+C06859	Transferred to D00247	C16H19BrN2	318.0732	NA	KEGG	NA	NA
+CJneg0517	Methylinosine [(M+Cl)]-	C11H14ClN4O5	318.073625	C18rt(min)=4.45 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0517	Methylinosine [(M+Cl)]-	C11H14ClN4O5	318.073625	C18rt(min)=4.45 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB02937	Tamarixetin	C16H14O7	318.07394	http://www.hmdb.ca/metabolites/HMDB02937	HMDB	NA	NA
+HMDB02937	Tamarixetin	C16H14O7	318.07394	HMDB02937	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02937	Tamarixetin	C16H14O7	318.073944	NA	HMDB2010	NA	NA
+FL2FE8NS0002	5,7,2',5'-Tetrahydroxy-6-methoxyflavanone	C16H14O7	318.07395	81524-09-6	knapsack	NA	NA
+FL2FECNS0005	6-Methoxyeriodictyol	C16H14O7	318.07395	96681-58-2	knapsack	NA	NA
+FL2FFCNS0003	8-Methoxyeriodictyol	C16H14O7	318.07395	120216-93-5	knapsack	NA	NA
+FL2FFCNS0004	8-Hydroxyhesperetin;5,7,8,3'-Tetrahydroxy-4'-methoxyflavanone	C16H14O7	318.07395	460090-60-2	knapsack	NA	NA
+FL4D1GNS0002	Sepinol	C16H14O7	318.07395	72061-63-3	knapsack	NA	NA
+FL4D3CNS0003	8-Methoxyfustin	C16H14O7	318.07395	38510-53-1	knapsack	NA	NA
+FL4DA8NS0003	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone	C16H14O7	318.07395	-	knapsack	NA	NA
+FL4DA8NS0006	3,5,2',3'-Tetrahydroxy-7-methoxyflavanone	C16H14O7	318.07395	188440-68-8	knapsack	NA	NA
+FL4DACNM0001	6-Methoxytaxifolin;3,5,7,3',4'-Pentahydroxy-6-methylflavanone;Cedeodarin	C16H14O7	318.07395	31076-39-8	knapsack	NA	NA
+FL4DACNM0002	Deodarin	C16H14O7	318.07395	33788-39-5	knapsack	NA	NA
+FL4DADNS0001	Dihydroisorhamnetin	C16H14O7	318.07395	55812-91-4	knapsack	NA	NA
+FL4DAENS0001	Taxifolin 4'-methyl ether	C16H14O7	318.07395	70411-27-7	knapsack	NA	NA
+FL4DBCNS0001	Taxifolin 5-methyl ether	C16H14O7	318.07395	139493-38-2	knapsack	NA	NA
+FL4DCCNS0001	Padmatin	C16H14O7	318.07395	80453-44-7	knapsack	NA	NA
+FL4DCCNS0002	Epipadmatin;(2R,3S)-3,5,3',4'-Tetrahydroxy-7-methoxyflavanone	C16H14O7	318.07395	140694-62-8	knapsack	NA	NA
+FL4DDCNS0001	Taxifolin 3-methyl ether	C16H14O7	318.07395	-	knapsack	NA	NA
+FL4DEANS0002	3,5,7,4'-Tetrahydroxy-6-methoxyflavanone	C16H14O7	318.07395	130926-73-7	knapsack	NA	NA
+FL4DFANS0001	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone	C16H14O7	318.07395	98006-94-1	knapsack	NA	NA
+FLIBHXNS0001	Bolusanthin;3,5,7,3'-Tetrahydroxy-4'-methoxyisoflavone	C16H14O7	318.07395	99365-26-1	knapsack	NA	NA
+MJ032284	1,2,3,4,5-Pentahydroxyxanthone; 3,4,5-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032285	1,2,3,4,7-Pentahydroxyxanthone; 2,3,4-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032286	1,2,3,4,7-Pentahydroxyxanthone; 2,4,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032287	1,2,3,4,8-Pentahydroxyxanthone; 1,2,4-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032288	1,2,3,5,7-Pentahydroxyxanthone; 2,3,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032289	1,2,3,6,8-Pentahydroxyxanthone; 1,2,3-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032290	1,2,3,6,8-Pentahydroxyxanthone; 1,2,8-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032291	1,2,3,6,8-Pentahydroxyxanthone; 2,3,6-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032292	1,2,3,7,8-Pentahydroxyxanthone; 2,3,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032293	1,2,4,5,6-Pentahydroxyxanthone; 2,5,6-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032294	1,2,4,6,8-Pentahydroxyxanthone; 1,2,4-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032295	1,2,4,6,8-Pentahydroxyxanthone; 1,4,6-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032296	1,2,5,6,8-Pentahydroxyxanthone; 1,2,5-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032297	1,2,5,6,8-Pentahydroxyxanthone; 1,5,6-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032298	1,3,4,5,8-Pentahydroxyxanthone; 3,4,5-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032299	1,3,4,5,8-Pentahydroxyxanthone; 4,5,8-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032300	1,3,4,6,8-Pentahydroxyxanthone; 3,4,6-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032301	1,3,4,6,8-Pentahydroxyxanthone; 4,6,8-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032302	1,3,5,6,7-Pentahydroxyxanthone; 1,5,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032303	1,3,5,6,7-Pentahydroxyxanthone; 3,5,6-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032304	1,3,5,6,7-Pentahydroxyxanthone; 3,5,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032305	1,3,5,6,7-Pentahydroxyxanthone; 3,6,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032306	1,3,5,6,7-Pentahydroxyxanthone; 5,6,7-Tri-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032307	1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione; 1-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032308	2',3',4,4',6,7-Hexahydroxyisoflavan, 6,7-Methylene ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032309	2',3,3',5,7-Pentahydroxyflavanone, 7-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032310	2',3,4',5,7-Pentahydroxyisoflavanone, 4'-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032311	2',3,5,5',7-Pentahydroxyflavanone, 5'-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032312	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; Me ester 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032313	2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032314	3',4',5,6,7-Pentahydroxyflavanone, 6-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032315	3',4',5,6,7-Pentahydroxyflavanone, 7-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032316	3',4',5,7,8-Pentahydroxyflavanone, 8-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032317	3,3',4',5',7-Pentahydroxyflavanone, 4'-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032318	3,3',4',5,7-Pentahydroxy-6-methylflavanone 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032319	3,3',4',5,7-Pentahydroxy-8-methylflavanone 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032320	3,3',4',5,7-Pentahydroxyflavanone, 3'-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032321	3,3',4',5,7-Pentahydroxyflavanone, 3-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032322	3,3',4',5,7-Pentahydroxyflavanone, 4'-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032323	3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032324	3,3',4',5,7-Pentahydroxyisoflavanone; 4'-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032325	3,3',4',7,8-Pentahydroxyflavanone, 8-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032326	3,3'-Oxybis[4-hydroxybenzoic acid]; Di-Me ester 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032327	3,4',5,6,7-Pentahydroxyflavanone, 6-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032328	3,4',5,7,8-Pentahydroxyflavanone, 8-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032329	3,4,7,9-Tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one; 1'-Hydroxy, 3,9-di-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032330	3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032331	3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-4-chromanone 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032332	5,5'-Oxybis[2-hydroxybenzoic acid]; Di-Me ester 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032333	5,7,8,10-Tetrahydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-6,9-dione, 8-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032334	Botrallin 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032335	Graphislactone D; O4-De-Me 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032336	Isolecanoric acid 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032337	Juglomycin D; 3-Deoxy, 2'-Ac 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032338	Lecanoric acid 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032339	Mycochromone 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032340	Nanaomycin E 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032341	Nectriafurone; 8-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032342	Nidulalin A; 12-Hydroxy 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032343	Semiviriditoxic acid 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032344	Sydowinol 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032345	Ventilone C; 8-Me ether 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MJ032346	Ventiloquinone M 	C16H14O7	318.073952	NA	MeJP	NA	NA
+MetaCyc02818	orsellinate depside []	C16H14O7	318.073953	NA	metacyc	NA	NA
+MetaCyc02819	desmethylsulochrin []	C16H14O7	318.073953	NA	metacyc	NA	NA
+C02868	Orsellinate depside	C16H14O7	318.074	NA	KEGG	NA	NA
+C02869	Oxidized flavodoxin	C16H14O7	318.074	NA	KEGG	NA	NA
+C02871	Peptide L-aspartate	C5H6N2O4R2	318.074	NA	KEGG	NA	NA
+C02872	Peptide diphthamide	C14H23N6O3R2	318.074	NA	KEGG	NA	NA
+C02873	Peptide(Lys-, Arg-)	C10H18N4O4R2	318.074	NA	KEGG	NA	NA
+C15504	Demethylsulochrin	C16H14O7	318.074	NA	KEGG	NA	NA
+MJ032347	4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol; 3-Methylbutanoyl 	C17H18O2S2	318.074821	NA	MeJP	NA	NA
+MJ032348	2-Bromo-3-chloro-6,10-bisaboladiene 	C15H24BrCl	318.074991	NA	MeJP	NA	NA
+MJ032349	Atreleuton 	C16H15FN2O2S	318.083826	NA	MeJP	NA	NA
+C12398	8-O-Methyltetrangulol	C20H14O4	318.0892	NA	KEGG	NA	NA
+C14286	Phenolphthalein	C20H14O4	318.0892	NA	KEGG	NA	NA
+MJ032350	1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 8-Me ether 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032351	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3'-Methoxy, 4'-hydroxy 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032352	4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032353	8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032354	Anigozanthin 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032355	Betulinan B 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032356	Haemodorin 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032357	Palmarumycin CP1; 2,3-Dihydro 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032358	Phenolphthalein 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032359	Xestoquinone 	C20H14O4	318.089208	NA	MeJP	NA	NA
+MJ032360	Diclometide 	C14H20Cl2N2O2	318.090183	NA	MeJP	NA	NA
+MJ032361	5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-?-D-Glucopyranoside 	C13H18O9	318.095082	NA	MeJP	NA	NA
+C06906	Chlorpromazine	C17H19ClN2S	318.0957	NA	KEGG	NA	NA
+C06907	Transferred to D00271	C17H19ClN2S	318.0957	NA	KEGG	NA	NA
+C06908	Transferred to D00272	C17H19ClN2S	318.0957	NA	KEGG	NA	NA
+MJ032362	Chlorpromazine 	C17H19ClN2S	318.095747	NA	MeJP	NA	NA
+MJ032363	Secofascaplysin A 	C19H14N2O3	318.100442	NA	MeJP	NA	NA
+MJ032364	Pazufloxacin 	C16H15FN2O4	318.101585	NA	MeJP	NA	NA
+MJ032365	Beclobrinic acid 	C18H19ClO3	318.102272	NA	MeJP	NA	NA
+C17456	Paeonilactone C	C17H18O6	318.1103	NA	KEGG	NA	NA
+FL2FQUNM0003	Protofarrerol	C17H18O6	318.11033	24211-29-8	knapsack	NA	NA
+FL63AFNS0001	Epicatechin 3',4'-dimethyl ether	C17H18O6	318.11033	97914-17-5	knapsack	NA	NA
+FL63BDNS0001	Epicatechin 5,3'-dimethyl ether	C17H18O6	318.11033	97914-18-6	knapsack	NA	NA
+FL63CENS0001	Catechin 7,4'-dimethyl ether	C17H18O6	318.11033	105330-66-3	knapsack	NA	NA
+FLIC2LNS0001	Bryaflavan;6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavan	C17H18O6	318.11033	55306-19-9	knapsack	NA	NA
+FLIC3LNS0001	8-Demethylduartin;7,8,3'-Trihydroxy-2',4'-dimethoxyisoflavan	C17H18O6	318.11033	50439-57-1	knapsack	NA	NA
+MJ032366	1-Hydroxy-4,7(11),9-germacratriene-12,8:15,6-olide, Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032367	2',3',4',6,7-Pentahydroxyisoflavan, 2',4'-Di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032368	2',3',4',7,8-Pentahydroxyisoflavan, 2',4'-Di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032369	2,3-Dihydro-5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one, 10-Methoxy, 6,8-di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032370	3,3',4',5,7-Pentahydroxyflavan, 3',4'-Di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032371	3,3',4',5,7-Pentahydroxyflavan, 3',5-Di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032372	3,3',4',5,7-Pentahydroxyflavan, 4',7-Di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032373	3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 3'-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032374	3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 4-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032375	3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 3'-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032376	3-(3,4-Dihydroxybenzyl)-3,4,7-chromantriol, 4-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032377	3-Hydroxy-1(10),4,11(13)-germacratriene-12,8:15,6-diolide, Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032378	3-[(3,4-Dihydroxyphenyl)methyl]-3,4-dihydro-4-methoxy-2H-1-benzopyran-3,7-diol 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032379	5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032380	5-Acetyl-2,3-dihydro-3-hydroxy-2-[1-(hydroxymethyl)ethenyl]benzofuran, Di-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032381	5-Acetyloxy-5,6-dihydro-4,6-dimethoxy-6-(2-phenylethenyl)-2H-pyran-2-one 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032382	6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 2',3'-Dihydro, 2',3'-dihydroxy 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032383	8,11:9,11-Diepoxy-1,4-dihydroxy-2-methoxy-8a-methyl-5,6,7,8,8a,9,10,10a-octahydro-10-anthracenone 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032384	8,12-Epoxy-1-hydroxy-5,7,9,11-germacratetraeaen-15,6-olide, 4?,5?-Epoxide, Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032385	8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,10?-Epoxide, Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032386	8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 4?,5?-Epoxide, Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032387	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032388	8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, O-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032389	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032390	9-(2,3-Dihydroxy-1,1-dimethylpropyl)-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032391	Albiflorin 1 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032392	Alloisoimperatorin; 2',3'-Dihydro, 2',3'-dihydroxy, Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032393	Aviprin, 3'-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032394	Clavilactone C; 13-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032395	Elemiferone; 5-Methoxy 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032396	Eleutherin, 6-Hydroxy, 7-methoxy 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032397	Evofolin B 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032398	Germitorosone 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032399	Goniodiol; Di-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032400	Griseofulvin, 6'-Epimer, dechloro 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032401	Griseofulvin, Dechloro 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032402	Hamaudol, 3-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032403	Heraclenol3'-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032404	Herbarin; Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032405	Kushecarpin A 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032406	Metasequirin A 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032407	Mollugin; 3,4-Dihydro, 3,4-dihydroxy 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032408	Murrangatin, 1'-O-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032409	Murrangatin, 2'-O-Ac 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032410	Mycochromenic acid 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032411	Paeoniflorigenone 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032412	Paeonilactone A; 9-(Benzoyloxy) 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032413	Paeonilide 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032414	Pandoxide 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032415	Phellopterin; 2',3'-Dihydro, 2'-hydroxy 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032416	Protofarrerol 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032417	Protosappanin B; 10-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032418	Thamontanin; 1'-Deoxy 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032419	Ventiloquinone G; 5,7-Di-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032420	Ventiloquinone I; 8-Me ether 	C17H18O6	318.110338	NA	MeJP	NA	NA
+MJ032421	Calliactine 	C18H14N4O2	318.111675	NA	MeJP	NA	NA
+MJ032422	Pandangolide 2 	C14H22O6S	318.113709	NA	MeJP	NA	NA
+MJ032423	Tebupirimfos 	C13H23N2O3PS	318.116699	NA	MeJP	NA	NA
+PJ000280	GNE 	C11H18N4O7	318.1176	NA	PeJP	NA	NA
+MJ032424	Citatepine 	C20H18N2S	318.119069	NA	MeJP	NA	NA
+3494	ACE inhibitor from sake	HY	318.121	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ032425	9-(2-Thienyl)-6-nonen-8-yn-3-one, 4-(3-Methylbutanoyloxy) 	C18H22O3S	318.128965	NA	MeJP	NA	NA
+MJ032426	9-(2-Thienyl)-6-nonen-8-yn-3-one, 5-(3-Methylbutanoyloxy) 	C18H22O3S	318.128965	NA	MeJP	NA	NA
+MJ032427	4-Hydroxy-4-(2-hydroxyethyl)-2-cyclohexen-1-one, 2'-O-?-D-Glucopyranoside 	C14H22O8	318.131467	NA	MeJP	NA	NA
+MJ032428	5,6-Dihydro-6-(2-hydroxypropyl)-2H-pyran-2-one, O-?-D-Glucopyranoside 	C14H22O8	318.131467	NA	MeJP	NA	NA
+MJ032429	6-Deoxy-3-C-methylgulose; ?-D-Pyranose-form, Me glycoside, tri-Ac 	C14H22O8	318.131467	NA	MeJP	NA	NA
+MJ032430	Musacine C 	C14H22O8	318.131467	NA	MeJP	NA	NA
+PJ000281	NW 	C15H18N4O4	318.1328	NA	PeJP	NA	NA
+MJ032431	Hydroxyluninium(1+) 	C17H20NO5	318.134147	NA	MeJP	NA	NA
+MJ032432	Streptindole 	C20H18N2O2	318.136827	NA	MeJP	NA	NA
+MJ032433	Xanthocillin X; 1'',2''-Dihydro, di-Me ether 	C20H18N2O2	318.136827	NA	MeJP	NA	NA
+MJ032434	Clomestrone 	C19H23ClO2	318.138657	NA	MeJP	NA	NA
+C09981	Zearalenone	C18H22O5	318.1467	NA	KEGG	NA	NA
+MJ032435	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4',5-Tetra-Me ether 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032436	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,3',4,5-Tetra-Me ether 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032437	1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane; 2',3'',4'-Tri-Me ether 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032438	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Propanoyl 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032439	5-Acetyl-2,3-dihydro-3-hydroxy-2-(1-hydroxyisopropyl)-7-(3-methyl-1-oxo-2-butenyl)benzofuran 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032440	6,12,13,19-Tetrahydroxy-5,8,11,13-podocarpatetraen-7-one; 12-Me ether 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032441	8-Hydroxy-3-oxo-1,4(15),11(13)-eudesmatrien-12-oic acid, 8-Ac, Me ester 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032442	Aposphaerin A; 8-Deoxy, O-de-Me, Et ester 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032443	Erianin 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032444	Furanoselwynone 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032445	Isofuranoselwynone 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032446	Laurycolactone A 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032447	Malabarolide B1 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032448	Nordinone; 4,5-Didehydro 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032449	Octandrenolone; 9,10-Dihydro, 9?-hydroxy 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032450	Pinnaterin; 1''-Aldehyde, di-Me acetal 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032451	Pranferin 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032452	Tomentellin; ?3'(Z-),?7'-Isomer, O3-de-Me 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032453	Tomentellin; ?3'-Isomer(E-), O3-de-Me 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032454	Tomentellin; O3-De-Me 	C18H22O5	318.146723	NA	MeJP	NA	NA
+MJ032455	Zearalenone 	C18H22O5	318.146723	NA	MeJP	NA	NA
+2709	erythromycin inhibitor	MSMRL	318.1489	MH2+	Inhouse_peptide	NA	peptide
+MJ032456	Sulfoorientalol B 	C15H26O5S	318.150094	NA	MeJP	NA	NA
+MJ032457	Sulfoorientalol D 	C15H26O5S	318.150094	NA	MeJP	NA	NA
+PJ000282	ATQ 	C12H22N4O6	318.1539	NA	PeJP	NA	NA
+PJ000283	GDK 	C12H22N4O6	318.154	NA	PeJP	NA	NA
+C07571	Fluvoxamine	C15H21F3N2O2	318.1555	NA	KEGG	NA	NA
+MJ032458	Fluvoxamine 	C15H21F3N2O2	318.155512	NA	MeJP	NA	NA
+MJ032459	Cyclo(seryltyrosyl), 4'-O-(3-Methyl-2-butenyl) 	C17H22N2O4	318.157957	NA	MeJP	NA	NA
+MJ032460	Tomaymycin; 11-Demethoxy, 11-ethoxy 	C17H22N2O4	318.157957	NA	MeJP	NA	NA
+PJ000284	GSR 	C11H22N6O5	318.1652	NA	PeJP	NA	NA
+MJ032461	1,2,3,4,9,14-Hexahydroxydihydro-?-agarofuran 	C15H26O7	318.167853	NA	MeJP	NA	NA
+MJ032462	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran 	C15H26O7	318.167853	NA	MeJP	NA	NA
+MJ032463	Apaxifylline 	C16H22N4O3	318.16919	NA	MeJP	NA	NA
+MJ032464	Eseramine 	C16H22N4O3	318.16919	NA	MeJP	NA	NA
+MJ032465	Tomelukast 	C16H22N4O3	318.16919	NA	MeJP	NA	NA
+C09170	Eseramine	C16H22N4O3	318.1692	NA	KEGG	NA	NA
+3813	smooth muscles contracting peptide	YVLSR	318.174	MH2+	Inhouse_peptide	NA	peptide
+MJ032466	Robalzotan 	C18H23FN2O2	318.174356	NA	MeJP	NA	NA
+CJneg0518	Isovalerylglycine [(2M-H)]-	C14H25N2O6	318.179625	C18rt(min)=5.2 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0518	Isovalerylglycine [(2M-H)]-	C14H25N2O6	318.179625	C18rt(min)=5.2 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14983	6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione	C19H26O4	318.1831	NA	KEGG	NA	NA
+C15151	17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate	C19H26O4	318.1831	NA	KEGG	NA	NA
+C15351	7alpha-Hydroxytestololactone	C19H26O4	318.1831	NA	KEGG	NA	NA
+HMDB06709	Ubiquinone Q2	C19H26O4	318.183105	NA	HMDB2010	NA	NA
+MJ032467	1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid, 1-[1-(4-Methylphenyl)ethyl] ester 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032468	1,9-Heptadecadiene-4,6-diyne-3,8-diol, 9,10-Epoxide, 8-Ac 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032469	1-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 1-(2-Methylpropanoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032470	15,16-Epoxy-3,4-dihydroxy-19-nor-5(10),13(16),14-clerodatrien-12-one 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032471	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylpropanoyl 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032472	18-Hydroxy-3-nor-2,3-seco-13(16),14-spongiadien-2,4-olide 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032473	2,4,6-Trihydroxy-3,5-diprenylacetophenone; 2-Me ether 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032474	2-Hydroxy-16-nor-3-oxo-1,4(18)-erythroxyladien-15-oic acid 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032475	3,16-Dihydroxy-19-nor-3,8(14)-pimaradiene-2,15-dione; ent-form 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032476	3,16-Dihydroxyandrost-5-ene-7,17-dione 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032477	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methoxy-2-propenoyl) (E-) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032478	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methoxy-2-propenoyl) (Z-) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032479	3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methoxy-2-propenoyl) (E-) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032480	3-Hydroxyfuranoeremophilan-9-one, 2-Methylpropanoyl 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032481	4,6,7-Trihydroxy-18-nor-16-kauren-19-oic acid, 19?6 Lactone 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032482	4-Hydroxy-3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)benzoic acid; 4-Me ether, Me ester 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032483	4-Scirpenol, 2Z-Butenoyl 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032484	6-Hydroxyfuranoeremophilan-9-one, O-(2-Methylpropanoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032485	6-Hydroxyfuranoeremophilan-9-one, 2-Methylpropanoyl 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032486	8,12-Epoxy-1(10),7(11),8-eremophilatriene-6,12-diol, 6-Propanoyl, 12-Me ether 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032487	9,13-Epoxy-19-nor-6-oxo-4,7-labdadien-15-oic acid 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032488	9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid, Me ester, 15-ketone 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032489	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(2-Methylpropanoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032490	Atractyligenin; 2-Ketone 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032491	Cohulupone 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032492	Cupresol 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032493	Elisabanolide 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032494	Furanoeremophil-1(10)-ene-4,6-diol, 6-(2-Methylpropanoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032495	Furanoeremophilane-1,6-diol, 1-Ketone, 6-(2-methylpropanoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032496	Furanoeremophilane-2,10-diol, 2-(Methylpropenoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032497	Furanoeremophilane-3,6-diol, 3-(2-Methylpropenoyl) 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032498	Gingerdiones; [8]Gingerdione, 1,2-Didehydro 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032499	Isochromophilone III; 7,8a-Diepimer, dechloro 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032500	Isochromophilone III; Dechloro 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032501	Kyrsteniopsolide 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032502	Salvicanaraldehyde 	C19H26O4	318.183109	NA	MeJP	NA	NA
+MJ032503	Tomentellin; 5'-Deoxo 	C19H26O4	318.183109	NA	MeJP	NA	NA
+HMDB06709	Ubiquinone Q2	C19H26O4	318.18311	http://www.hmdb.ca/metabolites/HMDB06709	HMDB	NA	NA
+HMDB06709	Ubiquinone Q2	C19H26O4	318.18311	HMDB06709	PFEM_hmdb_metabocards_official	NA	NA
+PJ000285	ATK 	C13H26N4O5	318.1903	NA	PeJP	NA	NA
+MJ032504	Cypholophine 	C18H26N2O3	318.194342	NA	MeJP	NA	NA
+C03962	(-)-Menthyl O-beta-D-glucoside	C16H30O6	318.2042	NA	KEGG	NA	NA
+C04165	(+)-Neomenthyl O-beta-D-glucoside	C16H30O6	318.2042	NA	KEGG	NA	NA
+MJ032505	3,7-Dimethyl-6-octen-1-ol, O-?-D-Glucopyranoside 	C16H30O6	318.204238	NA	MeJP	NA	NA
+MJ032506	9,10-Dihydroxyhexadecanoic acid 	C16H30O6	318.204238	NA	MeJP	NA	NA
+MetaCyc02820	(-)-menthyl O-&beta;-D-glucoside []	C16H30O6	318.204239	NA	metacyc	NA	NA
+MJ032507	Dalbraminol 	C17H26N4O2	318.205576	NA	MeJP	NA	NA
+HMDB01337	Leukotriene A4	C20H30O3	318.21948	http://www.hmdb.ca/metabolites/HMDB01337	HMDB	NA	NA
+HMDB05081	5 HEPE	C20H30O3	318.21948	http://www.hmdb.ca/metabolites/HMDB05081	HMDB	NA	NA
+HMDB06027	Oxymesterone	C20H30O3	318.21948	http://www.hmdb.ca/metabolites/HMDB06027	HMDB	NA	NA
+HMDB01337	Leukotriene A4	C20H30O3	318.21948	HMDB01337	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05081	5 HEPE	C20H30O3	318.21948	HMDB05081	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06027	Oxymesterone	C20H30O3	318.21948	HMDB06027	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01337	Leukotriene A4	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB05081	5-HEPE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB06027	Oxymesterone	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB10202	12-HEPE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB10205	14,15-EpETE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB10209	15-HEPE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB10210	15-KETE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB10212	17,18-EpETE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB10217	5-KETE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+HMDB13633	12-KETE	C20H30O3	318.219482	NA	HMDB2010	NA	NA
+MJ032508	Leukotriene A4 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032509	1(19),6,13-Xenicatrien-17,18-olide; 10àH-form, 6?,7?-Epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032510	1,10-Epoxy-11-eremophilen-8-ol, Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032511	1,10-Epoxy-11-eremophilen-8-ol, Tigloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032512	1,19-Dihydroxy-15-beyeren-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032513	1,2-Dihydroxy-12-cassen-11-one, 15,16-Didehydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032514	1,3,5,10-Bisabolatetraene-1,4-diol, 1-O-(3-Methylbutanoyl) 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032515	1,3,5,10-Farnesatetraene-7,9-diol, 9-Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032516	1,3-Dihydroxy-12,15-cassadien-11-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032517	1,4,6,10-Farnesatetraene-3,9-diol; 9-Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032518	1,4,6,10-Farnesatriene-3,8-diol; 8-Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032519	1,4-Dihydroxy-2,7(19),10,14-phytatetraen-13-one, 4-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032520	1-(2,4,6-Trihydroxyphenyl)-9-tetradecen-1-one, 4'-Deoxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032521	1-(2,6-Dihydroxyphenyl)-4-methyl-4-tridecen-1-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032522	1-Hydroxy-2,6,11(18),14-phytatetraene-10,13-dione 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032523	1-Hydroxy-7(11)-eremophilen-8-one, 1-Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032524	1-Hydroxy-7,17-sacculatadien-12,11-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032525	1-Hydroxy-7,17-sacculatadiene-11,12-dial 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032526	10(14)-Oplopen-4-one; 2?-Angeloyloxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032527	10(20),15-Grayanotoxadiene-3,5,6-triol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032528	10,11-Dihydroxy-5,15-rosadien-7-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032529	10,18-Epoxy-1(19),7,11,13-xenicatetraene-6,17-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032530	10-Hydroxy-11-cyathen-13-one; 10?-form, 15-Hydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032531	10-Hydroxy-2-fusicoccene-8,12-dione; 10?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032532	11,12-Epoxy-13-mulinen-20-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032533	11,12-Epoxy-5,7,9,14-eicosatetraenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032534	11,15-Dihydroxy-16-kauren-3-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032535	11,15-Epoxy-15-hydroxy-4(18),12-clerodadien-16-al 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032536	11,15-Epoxy-15-hydroxy-8(17),12-labdadien-16-al 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032537	11,16-Epoxy-19-kauranoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032538	11-Hydroxy-12-spongien-16-one; 11?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032539	11-Hydroxy-19-helvifulvanoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032540	11-Hydroxy-5,8,12,14,17-eicosapentaenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032541	11-Hydroxy-5,8,12,14-eicosatetraenoic acid, 11-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032542	11-Hydroxy-7,17-sacculatadien-12,11-olide; 11?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032543	11-Hydroxy-8(17),13-labdadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032544	11-Hydroxy-8,15-isopimaradien-7-one; 11?-form, 15?,16-Epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032545	12,13-Epoxy-8(17),14-labdadien-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032546	12-Hydroxy-15-kauren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032547	12-Hydroxy-16-kauren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032548	12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032549	12-Hydroxy-5,8,10,14-eicosatetraenoic acid, 12-Oxo 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032550	12-Hydroxy-7,13-abietadien-18-oic acid; 12?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032551	12-Hydroxy-7,13-labdadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032552	12-Oxo-3,13(16)-clerodadien-15-oic acid; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032553	12-Oxo-8,13(16)-labdadien-15-oic acid; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032554	13-Hydroxy-16-kauren-19-oic acid; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032555	13-Hydroxy-7-oxo-8(14)-abieten-19-al; 13?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032556	14,15-Epoxy-5,8,10,12-eicosatetraenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032557	14-Hydroxy-7,15-isopimaradien-18-oic acid; 14?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032558	14-Hydroxy-8(17),12-labdadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032559	14-Oxo-15-isopimaren-18-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032560	14-Serrulatene-2,7,8,20-tetrol; 2?-form, 2-Deoxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032561	14-Serrulatene-2,7,8,20-tetrol; 2?-form, 7-Deoxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032562	14-Serrulatene-3,8,20-triol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032563	14-Serrulatene-8,19,20-triol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032564	15,16-Dihydroxy-1-kauren-3-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032565	15,16-Epoxy-13(16),14-clerodadien-18-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032566	15,16-Epoxy-13(16),14-labdadiene-6,9-diol, 6-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032567	15,16-Epoxy-13(16),14-labdadiene-8,12-diol, 12-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032568	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032569	15,16-Epoxy-3,13(16),14-clerodatriene-6,7-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032570	15,16-Epoxy-3,13(16),14-clerodatriene-7,18-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032571	15,16-Epoxy-4(18),13(16),14-clerodatriene-2,3-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032572	15,16-Epoxy-7,13(16),14-labdatriene-2,3-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032573	15,16-Epoxy-8(17),13(16),14-labdatriene-3,6-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032574	15,16-Epoxy-8(17),13(16),14-labdatriene-6,19-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032575	15,16-Epoxy-9-hydroxy-13(16),14-labdadien-7-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032576	15,16-Spongianediol, Diketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032577	15,16:17,18-Diepoxy-13-spaten-5-ol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032578	15,19-Dihydroxy-7-trachylobanone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032579	15-Beyerene-12,19-diol, 19-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032580	15-Beyerene-2,3,12-triol, 12-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032581	15-Beyerene-2,3,12-triol, 2-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032582	15-Beyerene-3,19-diol, 19-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032583	15-Hydroxy-16-atisen-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032584	15-Hydroxy-16-kauren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032585	15-Hydroxy-16-kauren-20-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032586	15-Hydroxy-19-trachylobanoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032587	15-Hydroxy-5,8,11,13,17-eicosapentaenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032588	15-Hydroxy-7,13-abietadien-18-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032589	15-Hydroxy-8(17),11,13-labdatrien-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032590	15-Hydroxy-8(17),12-labdadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032591	15-Hydroxy-8(17),13-labdadien-16,15-olide; 15R-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032592	15-Kaurene-17,18-diol; ent-form, 17-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032593	15-Kaurene-17,19-diol, 19-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032594	15-Kaurene-17,19-diol; ent-form, 19-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032595	15-Kaurene-7,17,18-triol, 17-Aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032596	15-Oxo-1(10),13-halimadien-18-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032597	16,17-Dihydroxy-1-kauren-3-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032598	16,19-Dihydroxy-20-kauranoic acid, 20?19-Lactone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032599	16-Hydroxy-11-kauren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032600	16-Hydroxy-19,20-kauranedial 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032601	16-Hydroxy-19,20-kauranolide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032602	16-Hydroxy-3,13-clerodadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032603	16-Hydroxy-4(18),13-clerodadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032604	16-Hydroxy-5(10),13-halimadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032605	16-Hydroxy-6,8(17),13-labdatrien-15-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032606	16-Hydroxy-8(17),13-labdadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032607	16-Hydroxy-9(11)-kauren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032608	16-Kauren-19-ol; ent-form, 19-Carboxylic acid, 16?,17-epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032609	16-Kauren-19-ol; ent-form, 19-Carboxylic acid, 16?,17-epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032610	16-Kaurene-2,18,19-triol, 2-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032611	16-Kaurene-3,19-diol, 19-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032612	16-Kaurene-7,18-diol, 18-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032613	16-Oxo-17-spongianal 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032614	16-Oxo-19-beyeranoic acid; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032615	16-Oxo-4(18),13-clerodadien-15-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032616	16-Oxo-5(10),13-halimadien-15-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032617	17,19-Kauranediol, 17-Carboxylic acid, 19-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032618	17-Hydroxy-13-labden-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032619	17-Hydroxy-3,4-seco-4(18),15-beyeradien-3-oic acid; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032620	18-Hydroxy-15-kauranone, 18-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032621	18-Hydroxy-19-trachylobanoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032622	18-Hydroxy-3,13-clerodadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032623	18-Hydroxy-7,16-sacculatadiene-11,12-dial 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032624	18-Hydroxy-8(17),13-labdadien-15,16-olide; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032625	18-Hydroxy-8,10,13(15)-lobatrien-14,17-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032626	19-Hydroxy-3,13-clerodadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032627	19-Hydroxy-8(17),13-labdadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032628	19-Hydroxy-8(17),13-labdadien-16,15-olide; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032629	19-Oxo-5,8,11,14-eicosatetraenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032630	2(4),14-Decipiadiene-1,18,19-triol; 19-Deoxy, 1-carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032631	2,13-Dihydroxy-8,14-labdadien-7-one, 2-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032632	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16-Lactone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032633	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16 Lactone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032634	2,16:11,12-Diepoxy-1(15),3,6-cembratrien-8-ol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032635	2,16:11,12-Diepoxy-1(15),3,7-cembratriene, 3,4-Epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032636	2,17-Dihydroxy-15-beyeren-1-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032637	2,19-Dihydroxy-15-beyeren-1-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032638	2-(2-Formyl-3-hydroxymethyl-2-cyclopentenyl)-6,10-dimethyl-5,9-undecadienal 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032639	2-Hydroxy-3,13-clerodadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032640	2-Hydroxy-3,13-clerodadien-15-oic acid, 2-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032641	2-Hydroxy-3,13-clerodadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032642	2-Hydroxy-5(10),15-rosadien-19-oic acid; 2?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032643	2-Hydroxy-6-tridecylbenzoic acid; 8',9'-Didehydro (Z-) 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032644	2-Hydroxy-7,13-labdadien-15,16-olide; 2?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032645	2-Hydroxy-8(17),12,14-labdatrien-18-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032646	2-Hydroxy-8(17),12,14-labdatrien-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032647	2-Hydroxy-8(17),13-labdadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032648	2-Oxo-1(10),13-halimadien-15-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032649	2-Oxo-1(10),7-halimadien-15-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032650	2-[(2,3,3a,4,5,7a-Hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-5-heptenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032651	2-[(3,4,4a,5,6,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-5-heptenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032652	3,12-Clerodadiene-15,16-diol, 15-Carboxylic acid, 16-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032653	3,12-Cyathadiene-11,14,15-triol, 14-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032654	3,12-Dihydroxy-8(14),15-pimaradien-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032655	3,13-Clerodadien-15,16-olid-19-oic acid, 19-Alcohol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032656	3,13-Clerodadiene-15,16-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032657	3,13-Clerodadiene-15,17-diol, 15-Aldehyde, 17-carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032658	3,13-Clerodadiene-15,18-diol, 18-Carboxylic acid, 15-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032659	3,13-Clerodadiene-15,18-diol, 15-Carboxylic acid, 18-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032660	3,13-Dihydroxy-16-atisen-14-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032661	3,15-Dihydroxy-7,13-labdadien-2-one, 15-Aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032662	3,16-Dihydroxy-10(20)-leucothen-5-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032663	3,16-Dihydroxy-13-atisen-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032664	3,18-Dihydroxy-1(10),15-rosadien-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032665	3,18-Dihydroxy-15-beyeren-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032666	3,19-Dihydroxy-16-kauren-7-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032667	3,20-Epoxy-15-beyerene-3,18-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032668	3,4-Dihydro-4-hydroxy-5-methyl-3-(9-phenylnonyl)-2(5H)-furanone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032669	3,4-Dihydro-8-hydroxy-3-undecyl-1H-2-benzopyran-1-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032670	3,4-Epoxy-13-cleroden-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032671	3,4-Epoxy-7,11,15(17)-cembratrien-16-ol, 16-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032672	3,4;15,16-Diepoxy-13(16),14-clerodadien-2-ol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032673	3,6-Dihydroxy-3,15-erythroxyladien-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032674	3,7-Epoxy-8-hydroxy-1(14),4-neodolabelladien-9-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032675	3-Hydroxy-1,6,10,14-phytatetraen-19,9-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032676	3-Hydroxy-18-trachylobanoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032677	3-Hydroxy-7,15-isopimaradien-18-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032678	3-Hydroxy-7,17-sacculatadien-12,11-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032679	3-Hydroxy-7,18-dolabelladien-17,4-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032680	4(18),13-Clerodadiene-3,15-diol, 3-Ketone, 15-carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032681	4,18-Dihydroxy-1(9),6,13-xenicatrien-19-al; 18-Aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032682	4,9-Muuroladiene-1,8-diol; 8?-form, 8-Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032683	4-Hydroxy-7,11,15(17)-cembratrien-16,2-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032684	4-Hydroxy-7,11,15(17)-cembratrien-16,3-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032685	4-Hydroxycrenulide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032686	5,11-Dihydroxy-8(14),15-rosadien-7-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032687	5,19-Epoxy-3,14-viscidadien-16-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032688	5,6-Epoxy-7,9,11,14-eicosatetraenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032689	5,6-Vouacapanediol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032690	5-Hydroxy-3,14-viscidadien-16-oic acid; 5-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032691	5-Hydroxy-6,8,11,14,17-eicosapentaenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032692	5-Hydroxy-6,8,11,14-eicosatetraenoic acid, 5-Oxo 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032693	6,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032694	6,10-Dihydroxy-3,7,11,15-cembratetraen-5-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032695	6,7-Epoxy-4-cadinen-2-ol, Angeloyl 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032696	6,9-Dihydroxy-3,7,11-casbatrien-5-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032697	6-Hydroxy-3,13-clerodadien-15,16-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032698	6-Hydroxy-3,7,12-dolabellatrien-14-one, 3?,4?-Epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032699	6-Hydroxy-8(14),15-isopimaradien-18-oic acid; 6?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032700	6-Oxo-12(18)-dolabellen-19,10-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032701	7,10-Dihydroxy-15-rosen-19-oic acid, 19?10 Lactone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032702	7,10-Epoxy-8-hydroxy-1-fusicoccen-12-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032703	7,13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032704	7,14-Dihydroxy-16-kauren-15-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032705	7,17-Dihydroxy-13,15-cassadien-12-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032706	7,17-Sacculatadiene-11,12-dial; 9?H-form, 3?-Hydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032707	7,17-Sacculatadiene-11,12-dial; 9àH-form, 19-Hydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032708	7,18-Dihydroxy-8(14),15-isopimaradien-2-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032709	7,20-Dihydroxy-15-kauranone, 16,17-Didehydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032710	7,8-Epoxy-1-hydroxy-2,5,10,14-phytatetraen-13-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032711	7-Hydroxy-1,3,11-cembratrien-20,8-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032712	7-Hydroxy-13(15)-abieten-16,12-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032713	7-Hydroxy-13(17),15-cleistanthadien-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032714	7-Hydroxy-15-beyeren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032715	7-Hydroxy-16-atisen-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032716	7-Hydroxy-16-kauren-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032717	7-Hydroxy-19-trachylobanoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032718	7-Hydroxy-2,6-cyclo-9,13-xenicadiene-18,19-dial 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032719	7-Hydroxy-3,11,15-cembratrien-20,8-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032720	7-Hydroxy-8(14),15-isopimaradien-18-oic acid; 7?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032721	7-Hydroxy-8(14),15-pimaradien-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032722	7-Hydroxy-8(17),13-labdadien-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032723	7-Hydroxy-8,15-pimaradien-19-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032724	7-Isopimarene-3,15,16-triol, 3,15-Diketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032725	7-Oxo-3,13-clerodadien-15-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032726	8(14),15-Isopimaradiene-1,6,9-triol, 1-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032727	8(14),15-Isopimaradiene-12,18-diol; 12?-form, 18-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032728	8(14),15-Isopimaradiene-2,18,19-triol; ent-form, 2-Ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032729	8(14),15-Isopimaradiene-3,18-diol, 18-Carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032730	8(14)-Pimarene-3,15,16-triol, Diketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032731	8(17),12-Labdadiene-15,16-diol, 15,16-Dialdehyde, 8?,17-epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032732	8(17),12-Labdadiene-15,16-diol, 15-Carboxylic acid, 16-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032733	8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid, 15-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032734	8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid, 19-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032735	8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, 15-aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032736	8(17),13-Labdadiene-15,19-diol, 15-Aldehyde, 19-carboxylic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032737	8(17),13-Labdadiene-7,15-diol, 15-Carboxylic acid, 7-ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032738	8,11,13-Abietatriene-11,12,20-triol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032739	8,11,13-Abietatriene-2,11,12-triol; 2?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032740	8,11,13-Abietatriene-3,14,19-triol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032741	8,11,13-Abietatriene-5,11,12-triol; 5?-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032742	8,11,13-Icetexatriene-1,10,12-triol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032743	8,11,13-Icetexatriene-10,12-diol; 10?-form, 11-Hydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032744	8,11,13-Icetexatriene-10,12-diol; 10?-form, 20?-Hydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032745	8,11-Epidioxy-3,4-epoxy-1(15),6,12-cembratriene 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032746	8,12-Epoxy-12-labdene-15,16-dial 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032747	8,12-Epoxy-13-labden-15,12-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032748	8,12-Epoxy-13-labdene-15,16-diol, 15,16-Dialdehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032749	8,13-Epoxy-2-hydroxy-1,14-labdadien-3-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032750	8,13-Labdadiene-7,15-diol, 15-Carboxylic acid, 7-ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032751	8,17-Epoxy-12-labden-16,15-olide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032752	8,17-Sacculatadiene-11,13-dial; 15?-Hydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032753	8,20-Dihydroxy-9(11),13-abietadien-12-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032754	8-Hydroxy-5,9,11,14,17-eicosapentaenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032755	8-Hydroxy-5,9,11,14-eicosatetraenoic acid, 8-Oxo 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032756	9,13-Epoxy-18-hydroxy-14-labden-7-one, 18-Aldehyde 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032757	9,13-Epoxy-5-hydroxy-7,14-labdadien-6-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032758	9,13:15,16-Diepoxy-14-labden-7-one 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032759	9-Hydroxy-16-kauren-19-oic acid; ent-form 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032760	9-Hydroxy-16-kauren-20-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032761	9-Hydroxy-2,14-dichotomadiene-19,20-diol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032762	9-Hydroxy-2,5,7,11,14-eicosapentaenoic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032763	9-Hydroxy-5,7,11,14-eicosatetraenoic acid, 9-Oxo 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032764	9-Oxoprosta-5,10,14-trien-1-oic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032765	Acaciahemiacetal A; 17-Oxo 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032766	Agroskerin 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032767	Agrostistachin 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032768	Ambliofuran; 18,19-Dihydroxy 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032769	Antibiotic Sch 47918; 1,14-Dihydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032770	Aplykurodin A; 17,18-Didehydro, 4-ketone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032771	Bershacolone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032772	Chrysolic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032773	Cleomeolide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032774	Dictyotalide A 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032775	Didemnilactone; (10E,12Z,14Z)-Isomer, 17,18-dihydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032776	Didemnilactone; (10E,12Z,14Z)-Isomer, 8-epimer, 17,18-dihydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032777	Didemnilactone; (10E,14Z)-Isomer, 17,18-dihydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032778	Didemnilactone; 17,18-Dihydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032779	Focardin; 14,15-Epoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032780	Formosanone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032781	Fusicorrugatol 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032782	Galanal A 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032783	Ichthyouleolide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032784	Isoreiswigin 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032785	Mulinenic acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032786	Naviculide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032787	Oxymesterone 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032788	Phomactin E 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032789	Phomactin G 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032790	Roseatoxide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032791	Sarcopetalololide 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032792	Secochiliotrin 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032793	Shikoccin; 3-Deacetoxy, 16?,17-dihydro 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032794	Solidagonal acid 	C20H30O3	318.219494	NA	MeJP	NA	NA
+MJ032795	Yuexiandajisu A 	C20H30O3	318.219494	NA	MeJP	NA	NA
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	HMDB	NA	NA
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	HMDB	NA	NA
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	Inhouse_PFEM	NA	NA
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02821	leukotriene-A4 [LTA4;(7E, 9E, 11Z, 14Z)-(5S, 6S)-5, 6-Epoxyeicosa-7, 9,11, 14-tetraenoate;(7E, 9E, 11Z, 14Z)-(5S, 6S)-5, 6-Epoxyicosa-7, 9,11, 14-tetraenoate;]	C20H30O3	318.219495	72059-45-1	metacyc	NA	NA
+MetaCyc02822	15-oxo-5,8,11-cis-13-trans-icosatetraenoate []	C20H30O3	318.219495	NA	metacyc	NA	NA
+MetaCyc02823	ent-7-&alpha;-hydroxykaurenoate [ent-7&alpha;-hydroxykaur-16-en-19-oate;ent-7-&alpha;-hydroxykaurenoic acid;7-hydroxy-kaurenoic acid;]	C20H30O3	318.219495	NA	metacyc	NA	NA
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR148	4,5-leukotriene A4	C20H30O3	318.219495	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.219495	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR148	4,5-leukotriene A4	C20H30O3	318.2195	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.2195	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR148	4,5-leukotriene A4	C20H30O3	318.2195	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.2195	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR148	4,5-leukotriene A4	C20H30O3	318.2195	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.2195	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR148	4,5-leukotriene A4	C20H30O3	318.2195	Wishlist	Inhousejuil11	NA	NA
+EUR149	LeukotrieneA4(LTA4)	C20H30O3	318.2195	Wishlist	Inhousejuil11	NA	NA
+C00909	Leukotriene A4	C20H30O3	318.2195	NA	KEGG	NA	NA
+C00910	Procollagenase	C20H30O3	318.2195	NA	KEGG	NA	NA
+C00911	Ribonucleoside	C5H9O4R	318.2195	NA	KEGG	NA	NA
+C00912	alpha-D-Glucan	C5H9O4R	318.2195	NA	KEGG	NA	NA
+C02645	4,5-Leukotriene A4	C20H30O3	318.2195	NA	KEGG	NA	NA
+C04577	15-OxoETE	C20H30O3	318.2195	NA	KEGG	NA	NA
+C09079	Cyathin A3	C20H30O3	318.2195	NA	KEGG	NA	NA
+C09110	Ineketone	C20H30O3	318.2195	NA	KEGG	NA	NA
+C11875	ent-7alpha-Hydroxykaur-16-en-19-oic acid	C20H30O3	318.2195	NA	KEGG	NA	NA
+C13843	17R,18S-Epoxy-5Z,8Z,11Z,14Z-icosatetraenoic acid	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14555	11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14628	4,5alpha-Dihydro-2-(hydroxymethylene)testosterone	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14665	Oranabol	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14683	11beta,17beta-Dihydroxy-17-methylandrost-4-en-3-one	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14732	5-OxoETE	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14807	12-OxoETE	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14891	7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14929	17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14945	3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol	C20H30O3	318.2195	NA	KEGG	NA	NA
+C14980	16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione	C20H30O3	318.2195	NA	KEGG	NA	NA
+C15354	17beta-Hydroxy-17-methyl-5alpha-androstane-3,11-dione	C20H30O3	318.2195	NA	KEGG	NA	NA
+C15434	11beta,17beta-Dihydroxy-12alpha-methylandrost-4-en-3-one	C20H30O3	318.2195	NA	KEGG	NA	NA
+C17498	Galanolactone	C20H30O3	318.2195	NA	KEGG	NA	NA
+C18177	18R-HEPE	C20H30O3	318.2195	NA	KEGG	NA	NA
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR485	Prostaglandine A1 F2	NA	318.221525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR485	Prostaglandine A1 F2	NA	318.221525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR485	Prostaglandine A1 F2	NA	318.221525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR485	Prostaglandine A1 F2	NA	318.221525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR485	Prostaglandine A1 F2	F2	318.221525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR513	12-HPETE F2	NA	318.222625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR513	12-HPETE F2	NA	318.222625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR513	12-HPETE F2	NA	318.222625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR513	12-HPETE F2	NA	318.222625	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR513	12-HPETE F2	F2	318.222625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C17985	Istamycin Y0	C14H30N4O4	318.2267	NA	KEGG	NA	NA
+C17986	Istamycin X0	C14H30N4O4	318.2267	NA	KEGG	NA	NA
+MJ032796	Antibiotic KA 6606IX 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032797	Antibiotic KA 6606XIV 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032798	Antibiotic KA 6606XIX 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032799	Antibiotic KA 6606XVIII 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032800	Gentamine C2; N6'-Me 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032801	Istamycin X0 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032802	Sannamycin C; 6'-N-De-Me 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032803	Sporaricin B; O-De-Me 	C14H30N4O4	318.226705	NA	MeJP	NA	NA
+MJ032804	3-(14-Nitro-3-tetradecenyl)pyridine 	C19H30N2O2	318.230728	NA	MeJP	NA	NA
+MJ032805	Benrixate 	C19H30N2O2	318.230728	NA	MeJP	NA	NA
+MJ032806	Bietamiverine 	C19H30N2O2	318.230728	NA	MeJP	NA	NA
+MJ032807	Camiverine 	C19H30N2O2	318.230728	NA	MeJP	NA	NA
+MJ032808	Ebalzotan 	C19H30N2O2	318.230728	NA	MeJP	NA	NA
+MJ032809	3alpha-Hydroxy-5beta-pregnane-20-one 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032810	1,6,9,12,15,18-Heneicosahexaene, 12S,13R:15S,16R-Diepoxide, 18,19-dihydro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032811	1,6,9,12,15,18-Heneicosahexaene, 9,10:15,16-Diepoxide, 18,19-dihydro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032812	1-Hydroxy-2,5,12,15-heneicosatetraen-4-one 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032813	1-Hydroxy-2,5,12-heneicosatrien-4-one, Aldehyde 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032814	1-Hydroxy-2,5,14-heneicosatrien-4-one, Aldehyde 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032815	1-Hydroxy-2,5,16-heneicosatrien-4-one, Aldehyde 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032816	17-(2-Furanyl)-3,7,9-heptadecatrien-6-ol, 3,4-Dihydro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032817	18,19-Epoxy-1(9),6,13-xenicatrien-18-ol; 18?-form, Me ether 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032818	19-Hydroxy-17-methyl-17-kauranone 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032819	2,7,11-Cembratriene-4,10-diol, 10-Ketone, 4-Me ether 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032820	3,13-Clerodadien-15-ol, 15-Carboxylic acid, Me ester 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032821	3,6-Epidioxy-14-methylene-1,10-prenylbisaboladiene 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032822	3-Hexadecyl-5-methylene-2(5H)-furanone; 8',9'-Didehydro(Z-) 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032823	3-Hydroxypregnan-16-one 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032824	3-Hydroxypregnan-20-one 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032825	3-Pentadecyl-1,2-benzenediol; 10',11'-Didehydro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032826	3-Pentadecyl-1,2-benzenediol; 8',9'-Didehydro(Z-) 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032827	4-Methoxy-4-methyl-2-(3,6,9-tetradecatrienyl)cyclopentanone 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032828	5,20-Epoxy-15-rosen-20-ol, Me ether 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032829	5-(8-Tridecenyl)-1,3-benzenediol, Di-Me ether 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032830	5-Pentadecyl-1,3-benzenediol; 4',5'Z-Didehydrro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032831	5-Pentadecyl-1,3-benzenediol; 6',7'-Didehydro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032832	5-Pentadecyl-1,3-benzenediol; 8',9'Z-Didehydro 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032833	6-Hydroxy-2,14,16,18-heneicosatetraen-4-one 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032834	8-Abieten-18-oic acid; 13?-form, Me ester 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032835	Asperketal A; Me ether 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MJ032836	Cadlinaldehyde 	C21H34O2	318.25588	NA	MeJP	NA	NA
+MetaCyc02824	3-&beta;-hydroxy-5-&beta;-pregnane-20-one []	C21H34O2	318.25588	NA	metacyc	NA	NA
+MetaCyc02825	3-&beta;-hydroxy-5-&alpha;-pregnane-20-one []	C21H34O2	318.25588	NA	metacyc	NA	NA
+HMDB01449	Allopregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01449	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01455	Alloepipregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01455	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01471	Epipregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01471	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01449	Allopregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01449	HMDB	NA	NA
+HMDB01455	Alloepipregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01455	HMDB	NA	NA
+HMDB01471	Epipregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01471	HMDB	NA	NA
+HMDB06759	3alpha-Hydroxy-5beta-pregnane-20-one	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB06759	HMDB	NA	NA
+HMDB01449	Allopregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01449	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01455	Alloepipregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01455	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01471	Epipregnanolone	C21H34O2	318.25589	http://www.hmdb.ca/metabolites/HMDB01471	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01449	Allopregnanolone	C21H34O2	318.25589	HMDB01449	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01455	Alloepipregnanolone	C21H34O2	318.25589	HMDB01455	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01471	Epipregnanolone	C21H34O2	318.25589	HMDB01471	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06759	3alpha-Hydroxy-5beta-pregnane-20-one	C21H34O2	318.25589	HMDB06759	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01449	Allopregnanolone	C21H34O2	318.25589	NA	HMDB2010	NA	NA
+HMDB01455	Alloepipregnanolone	C21H34O2	318.25589	NA	HMDB2010	NA	NA
+HMDB01471	Epipregnanolone	C21H34O2	318.25589	NA	HMDB2010	NA	NA
+HMDB06012	Epimetendiol	C21H34O2	318.25589	NA	HMDB2010	NA	NA
+HMDB06759	3a-Hydroxy-5b-pregnane-20-one	C21H34O2	318.25589	NA	HMDB2010	NA	NA
+C05480	3alpha-Hydroxy-5beta-pregnane-20-one	C21H34O2	318.2559	NA	KEGG	NA	NA
+C10770	Bilobol	C21H34O2	318.2559	NA	KEGG	NA	NA
+C11825	3beta-Hydroxy-5beta-pregnane-20-one	C21H34O2	318.2559	NA	KEGG	NA	NA
+C11826	[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala)]n-	C94H156N8O26P2	318.2559	NA	KEGG	NA	NA
+C11827	[GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-g-D-Glu-A2pm-D-Ala-D-Ala)]n-	C95H156N8O28P2	318.2559	NA	KEGG	NA	NA
+C11828	Sugar 1-phosphate	C95H156N8O28P2	318.2559	NA	KEGG	NA	NA
+C13712	3alpha-Hydroxy-5alpha-pregnan-20-one	C21H34O2	318.2559	NA	KEGG	NA	NA
+C15099	17beta-Hydroxy-2alpha,17-dimethyl-5alpha-androstan-3-one	C21H34O2	318.2559	NA	KEGG	NA	NA
+C15264	17beta-Hydroxy-5alpha-androstane acetate	C21H34O2	318.2559	NA	KEGG	NA	NA
+C15484	3beta-Hydroxy-5alpha-pregnane-20-one	C21H34O2	318.2559	NA	KEGG	NA	NA
+C18041	5alpha-Pregnan-20alpha-ol-3-one	C21H34O2	318.2559	NA	KEGG	NA	NA
+MJ032837	Niphatesine G 	C20H34N2O	318.267113	NA	MeJP	NA	NA
+MJ032838	Pseudodistomin F 	C20H34N2O	318.267113	NA	MeJP	NA	NA
+MJ032839	1,2,3,4-Octadecanetetrol 	C18H38O4	318.277009	NA	MeJP	NA	NA
+C07861	Tridihexethyl	C21H36NO	318.2797	NA	KEGG	NA	NA
+MJ032840	4,15-Docosadien-1-yn-3-ol 	C22H38O	318.292265	NA	MeJP	NA	NA
+MJ032841	Clathculine A 	C21H38N2	318.303499	NA	MeJP	NA	NA
+MJ032842	Pirtenidine 	C21H38N2	318.303499	NA	MeJP	NA	NA
+MJ032843	Pregnane-3,20-diamine 	C21H38N2	318.303499	NA	MeJP	NA	NA
+MJ032844	1,7,13-Tricosatriene 	C23H42	318.328651	NA	MeJP	NA	NA
+MJ032845	14-Methyl-3-docosen-1-yne 	C23H42	318.328651	NA	MeJP	NA	NA
+MJ032846	18,19-Dinorcheilanthane 	C23H42	318.328651	NA	MeJP	NA	NA
+7814	ACE inhibitor from chickpea legumin	MDFLI	318.65165	MH2+	Inhouse_peptide	NA	peptide
+2643	synthetic fr,of human beta-CN, ACE inhibitor	PVRAVP	318.689	MH2+	Inhouse_peptide	NA	peptide
+MJ032847	4,6-Dibromo-2-methylthio-1H-indole 	C9H7Br2NS	318.866595	NA	MeJP	NA	NA
+MJ032848	Aplysinimine 	C9H7Br2NO2	318.884353	NA	MeJP	NA	NA
+MJ032849	Convolutamydines; Convolutamydine C 	C9H7Br2NO2	318.884353	NA	MeJP	NA	NA
+MJ032850	Lanoconazole 	C14H10ClN3S2	319.000466	NA	MeJP	NA	NA
+C01285	2,6-Dichlorophenol-4-(1,4-naphthoquinone imine)	C16H11Cl2NO2	319.0167	NA	KEGG	NA	NA
+MJ032851	Epalrestat 	C15H13NO3S2	319.033684	NA	MeJP	NA	NA
+MJ032852	Cetofenicol 	C13H15Cl2NO4	319.037813	NA	MeJP	NA	NA
+MJ032853	Cassamedine; Demethoxy 	C18H9NO5	319.048072	NA	MeJP	NA	NA
+MJ032854	Hernandonine 	C18H9NO5	319.048072	NA	MeJP	NA	NA
+CJpos0748	3-indole carboxylic acid glucuronide [(M+H)-(H2O)]+	C15H14NO7	319.068675	C18rt(min)=6.2 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0748	3-indole carboxylic acid glucuronide [(M+H)-(H2O)]+	C15H14NO7	319.068675	C18rt(min)=6.2 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ032855	Sarmazenil 	C15H14ClN3O3	319.072369	NA	MeJP	NA	NA
+MJ032856	Decarine 	C19H13NO4	319.084457	NA	MeJP	NA	NA
+MJ032857	Isodecarine 	C19H13NO4	319.084457	NA	MeJP	NA	NA
+MJ032858	Zanthoxyline 	C19H13NO4	319.084457	NA	MeJP	NA	NA
+MJ032859	9,10-Demethylenesanguinarine 	C19H14NO4(+)	319.084457	NA	MeJP	NA	NA
+MJ032860	Coptisine 	C19H14NO4(+)	319.084457	NA	MeJP	NA	NA
+MJ032861	Pseudocoptisine 	C19H14NO4(+)	319.084457	NA	MeJP	NA	NA
+MJ032862	Thailandine 	C19H14NO4(+)	319.084457	NA	MeJP	NA	NA
+MJ032863	Thalidastine, 5-Deoxy, 5,6-didehydro 	C19H14NO4(+)	319.084457	NA	MeJP	NA	NA
+C00220	Methylene blue	C16H18N3S	319.091	NA	KEGG	NA	NA
+C13751	Benzamil	C13H14ClN7O	319.0948	NA	KEGG	NA	NA
+MJ032864	Ibandronic acid 	C9H23NO7P2	319.094975	NA	MeJP	NA	NA
+MJ032865	Rutaecarpine; 7?,8?-Dihydroxy 	C18H13N3O3	319.095691	NA	MeJP	NA	NA
+MJ032866	5,6-Dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a]thieno[2,3-f][1,4]diazepine-3-carboxylic acid; tert-Butyl ester 	C15H17N3O3S	319.099062	NA	MeJP	NA	NA
+C13716	Ro 19-4603	C15H17N3O3S	319.0991	NA	KEGG	NA	NA
+MJ032867	Tetrodotoxin 	C11H17N3O8	319.101564	NA	MeJP	NA	NA
+C11692	Tetrodotoxin	C11H17N3O8	319.1016	NA	KEGG	NA	NA
+C11693	Transferred to D01069	C11H17N3O8	319.1016	NA	KEGG	NA	NA
+PJ000286	GDE 	C11H17N3O8	319.1016	NA	PeJP	NA	NA
+MJ032868	Renierol; 1,2-Dihydro, O-propanoyl, N-formyl 	C16H17NO6	319.105587	NA	MeJP	NA	NA
+MJ032869	Sarcomejine 	C16H17NO6	319.105587	NA	MeJP	NA	NA
+PJ000287	DW 	C15H17N3O5	319.1168	NA	PeJP	NA	NA
+PJ000288	PTC 	C12H21N3O5S	319.1202	NA	PeJP	NA	NA
+MJ032870	Goshuyuamide II 	C19H17N3O2	319.132076	NA	MeJP	NA	NA
+MJ032871	Rhetsinine 	C19H17N3O2	319.132076	NA	MeJP	NA	NA
+C06687	Norfloxacin	C16H18FN3O3	319.1332	NA	KEGG	NA	NA
+MJ032872	Norfloxacin 	C16H18FN3O3	319.133219	NA	MeJP	NA	NA
+PJ000289	ATE 	C12H21N3O7	319.138	NA	PeJP	NA	NA
+MJ032873	Kikumycin A; 4R-Hydroxy 	C13H17N7O3	319.139287	NA	MeJP	NA	NA
+MJ032874	7,8-Dimethoxyplatydesmine; (S)-(?)-config.-form 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032875	Anisodine 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032876	Bowdensine; 1-Epimer, di-de-Ac 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032877	Bowdensine; Di-de-Ac 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032878	Clivisyaline 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032879	Convolvineyl 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032880	Geibalansine, 8,9-Dimethoxy 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032881	Haemanthidine, 1,2-Dihydro 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032882	Hippacine 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032883	Lunidonine; 2'?-Alcohol 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032884	Narcissidine; O2-De-Me 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032885	Nerbowdine 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032886	Nerifline 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032887	Peyoglunal 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032888	Piplartine; 8,9-Dihydro 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032889	Proquinolate 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032890	Scopolamine, N-Oxide 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+MJ032891	Zascanol epoxide 	C17H21NO5	319.141972	NA	MeJP	NA	NA
+C12169	1-Epideacetylbowdensine	C17H21NO5	319.142	NA	KEGG	NA	NA
+7902	peptide from bovine b-lactoglobulin	WYSLA	319.1475	MH2+	Inhouse_peptide	NA	peptide
+PJ000290	GPF 	C16H21N3O4	319.1532	NA	PeJP	NA	NA
+PJ000291	GLM 	C13H25N3O4S	319.1566	NA	PeJP	NA	NA
+MJ032892	Oxetorone 	C21H21NO2	319.157228	NA	MeJP	NA	NA
+2750	ion flow regulating peptide	TSLYR	319.1635	MH2+	Inhouse_peptide	NA	peptide
+MJ032893	Cilansetron 	C20H21N3O	319.168462	NA	MeJP	NA	NA
+MJ032894	Decussine, 3,14-Dihydro, 10-hydroxy 	C20H21N3O	319.168462	NA	MeJP	NA	NA
+C11560	1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol	C20H21N3O	319.1685	NA	KEGG	NA	NA
+PJ000292	STL 	C13H25N3O6	319.1743	NA	PeJP	NA	NA
+MJ032895	17-Hydroxy-10-nitroestr-4-en-3-one; 17?-form 	C18H25NO4	319.178358	NA	MeJP	NA	NA
+MJ032896	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7,O9-Diangeloyl 	C18H25NO4	319.178358	NA	MeJP	NA	NA
+MJ032897	Coronatine 	C18H25NO4	319.178358	NA	MeJP	NA	NA
+MJ032898	Hippeastidine 	C18H25NO4	319.178358	NA	MeJP	NA	NA
+MJ032899	Lycopodium Base XII 	C18H25NO4	319.178358	NA	MeJP	NA	NA
+MJ032900	Neostemonine 	C18H25NO4	319.178358	NA	MeJP	NA	NA
+MetaCyc02826	coronatine [cyclopropanecarboxylic acid;]	C18H25N1O4	319.178358	NA	metacyc	NA	NA
+C16790	Coronatine	C18H25NO4	319.1784	NA	KEGG	NA	NA
+C07625	Chloroquine	C18H26ClN3	319.1815	NA	KEGG	NA	NA
+MJ032901	Chloroquine 	C18H26ClN3	319.181525	NA	MeJP	NA	NA
+MJ032902	2-[(2-Methyl-1-oxopropyl)amino]-N-(2-phenylethyl)pentanediamide 	C17H25N3O3	319.189591	NA	MeJP	NA	NA
+MJ032903	Midaxifylline 	C16H25N5O2	319.200825	NA	MeJP	NA	NA
+MJ032904	Histaprodifen; N-Me 	C21H25N3	319.204847	NA	MeJP	NA	NA
+MJ032905	3,4-Dihydroxybenzylamine; 3-Me ether, N-(9-methyl-7E-decenoyl) 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032906	4-Amino-3-hydroxybenzoic acid; 5-Dodecenyl ester 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032907	Antidesmone 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032908	Cyclodrine 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032909	Hyeronine A 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032910	Nafetolol 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032911	Protoemetinol; Natural-form 	C19H29NO3	319.214743	NA	MeJP	NA	NA
+MJ032912	Dalcotidine 	C18H29N3O2	319.225977	NA	MeJP	NA	NA
+MJ032913	Igmesine 	C23H29N	319.229999	NA	MeJP	NA	NA
+MJ032914	Antibiotic JM 971C 	C20H33NO2	319.251129	NA	MeJP	NA	NA
+MJ032915	Homopumiliotoxin 321B; 7'-Ketone 	C20H33NO2	319.251129	NA	MeJP	NA	NA
+MJ032916	Homopumiliotoxin 321B; ?5',6'-Isomer, 7'-ketone 	C20H33NO2	319.251129	NA	MeJP	NA	NA
+MJ032917	Pictamine 	C20H33NO2	319.251129	NA	MeJP	NA	NA
+MJ032918	3-[[2-[Bis(1-methylethyl)amino]ethyl]amino]-N-(2,6-dimethylphenyl)propanamide 	C19H33N3O	319.262362	NA	MeJP	NA	NA
+MJ032919	Pentisomide 	C19H33N3O	319.262362	NA	MeJP	NA	NA
+MJ032920	20-Aminopregnan-3-ol 	C21H37NO	319.287514	NA	MeJP	NA	NA
+MJ032921	3-Aminopregnan-20-ol 	C21H37NO	319.287514	NA	MeJP	NA	NA
+MJ032922	5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Hexadecyl-1H-pyrrole-2-carboxaldehyde 	C21H37NO	319.287514	NA	MeJP	NA	NA
+C07557	2,3,7,8-Tetrachlorodibenzodioxin	C12H4Cl4O2	319.8965	NA	KEGG	NA	NA
+C11058	1,2,3,4-Tetrachlorodibenzodioxin	C12H4Cl4O2	319.8965	NA	KEGG	NA	NA
+C11059	1,3,6,8-Tetrachlorodibenzo-p-dioxin	C12H4Cl4O2	319.8965	NA	KEGG	NA	NA
+MJ032923	Fenchlorphos 	C8H8Cl3O3PS	319.899734	NA	MeJP	NA	NA
+MJ032924	6-Bromo-1,7-dichloro-3-chloromethyl-7-methyl-2-octene 	C10H16BrCl3	319.950096	NA	MeJP	NA	NA
+C11323	Chromotropic acid	C10H8O8S2	319.9661	NA	KEGG	NA	NA
+MJ032925	Chloro(tetrahydrothiophene)gold(I) 	C4H8AuClS	319.970075	NA	MeJP	NA	NA
+MJ032926	Benzolamide 	C8H8N4O4S3	319.970766	NA	MeJP	NA	NA
+MJ032927	2,2':5',2''-Terthiophene-5-methanol; Ac 	C15H12O2S3	319.999941	NA	MeJP	NA	NA
+MJ032928	N-(2-Chloro-4-isothiocyanatophenyl)-2,4-dihydroxybenzamide 	C14H9ClN2O3S	320.00224	NA	MeJP	NA	NA
+MJ032929	Tenidap 	C14H9ClN2O3S	320.00224	NA	MeJP	NA	NA
+MJ032930	1-Chloro-2,4,5-trihydroxy-7-hydroxymethylanthraquinone 	C15H9ClO6	320.008765	NA	MeJP	NA	NA
+MJ032931	2-Chloro-1,3,5,8-tetrahydroxy-6-methylanthraquinone 	C15H9ClO6	320.008765	NA	MeJP	NA	NA
+MJ032932	2-Chloro-1,3,8-trihydroxy-6-hydroxymethylanthraquinone 	C15H9ClO6	320.008765	NA	MeJP	NA	NA
+MJ032933	3-Chloro-1,2,4,5-tetrahydroxy-7-methylanthraquinone 	C15H9ClO6	320.008765	NA	MeJP	NA	NA
+MJ032934	8-Chloro-3',4',5,7-tetrahydroxyisoflavone 	C15H9ClO6	320.008765	NA	MeJP	NA	NA
+MJ032935	Delorazepam; 3-Hydroxy 	C15H10Cl2N2O2	320.011932	NA	MeJP	NA	NA
+MJ032936	Lonidamine 	C15H10Cl2N2O2	320.011932	NA	MeJP	NA	NA
+MJ032937	Luteolic acid 	C14H8O9	320.016831	NA	MeJP	NA	NA
+MJ032938	4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, Ac 	C12H17BrO5	320.025936	NA	MeJP	NA	NA
+C14429	Phenthoate	C12H17O4PS2	320.0306	NA	KEGG	NA	NA
+FLIE1CNF0001	Erosnin;Erosnine;Erosinin	C18H8O6	320.03208	3736-83-2	knapsack	NA	NA
+MJ032939	Erosnine 	C18H8O6	320.032087	NA	MeJP	NA	NA
+MJ032940	Merisoprol; Ac 	C5H10HgO3	320.033619	NA	MeJP	NA	NA
+MJ032941	Sufosfamide 	C8H18ClN2O5PS	320.036256	NA	MeJP	NA	NA
+MJ032942	16-Bromo-7,11,15-hexadecatriene-5,13-diynoic acid 	C16H17BrO2	320.041192	NA	MeJP	NA	NA
+FL2FAANMH001	8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone	C16H13ClO5	320.04515	132342-07-5	knapsack	NA	NA
+MJ032943	1-Chloro-2,4,5-trihydroxy-7-methylanthraquinone; 10-Alcohol, 5-Me ether 	C16H13ClO5	320.045151	NA	MeJP	NA	NA
+MJ032944	2-Chloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H13ClO5	320.045151	NA	MeJP	NA	NA
+MJ032945	2-Chloro-1,5,8-trihydroxy-6-methylxanthone; 5,8-Di-Me ether 	C16H13ClO5	320.045151	NA	MeJP	NA	NA
+MJ032946	5-Chloro-1,4,8-trihydroxy-3-methylxanthone; 1,4-Di-Me ether 	C16H13ClO5	320.045151	NA	MeJP	NA	NA
+MJ032947	8-Chloro-4',5,7-trihydroxy-3-methylflavanone 	C16H13ClO5	320.045151	NA	MeJP	NA	NA
+CJneg0519	Xanthosine [(M+Cl)]-	C10H12ClN4O6	320.052925	C18rt(min)=4.27 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0519	Xanthosine [(M+Cl)]-	C10H12ClN4O6	320.052925	C18rt(min)=4.27 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C02906	Dihydromyricetin	C15H12O8	320.0532	NA	KEGG	NA	NA
+C03052	2,3-Dihydrogossypetin	C15H12O8	320.0532	NA	KEGG	NA	NA
+FL1BAGNS0001	Amaronol A;(+)- 2,4,6-Trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-3(2H)-benzofuranone	C15H12O8	320.05321	226560-96-9	knapsack	NA	NA
+FL4DAGNS0001	Ampelopsin;(2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone	C15H12O8	320.05321	27200-12-0	knapsack	NA	NA
+FL4DAGNS0002	Hovenitin III;(2R,3S)-3,5,7,3',4',5'-Hexahydroxyflavanone	C15H12O8	320.05321	119439-94-0	knapsack	NA	NA
+MJ032948	1,2,3,6,7,8-Hexahydroxyxanthone; 2,7-Di-Me ether 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032949	2',3,4',5,5',7-Hexahydroxyflavanone 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032950	3,3',4',5,5',7-Hexahydroxyflavanone 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032951	Alternarian acid 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032952	Amaronol A 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032953	Brevifolincarboxylic acid; Et ester 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032954	Coronatoquinone 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032955	Fusarubinoic acid 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MJ032956	Dihydromyricetin 	C15H12O8	320.053217	NA	MeJP	NA	NA
+MetaCyc02827	dihydromyricetin [ampelopsin;]	C15H12O8	320.053217	NA	metacyc	NA	NA
+MetaCyc02828	2,3-dihydroquercetagetin []	C15H12O8	320.053217	NA	metacyc	NA	NA
+MetaCyc02829	2,3-dihydrogossypetin []	C15H12O8	320.053217	NA	metacyc	NA	NA
+MJ032957	1,6,10-Trihydroxy-8-methyl-5,12-naphthacenedione 	C19H12O5	320.068473	NA	MeJP	NA	NA
+MJ032958	1,6,8-Trihydroxy-3-methylbenz[a]anthracene-7,12-dione 	C19H12O5	320.068473	NA	MeJP	NA	NA
+MJ032959	1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 1'-Hydroxy 	C19H12O5	320.068473	NA	MeJP	NA	NA
+MJ032960	4-Hydroxy-3-methoxy-5-phenylnaphthalic anhydride 	C19H12O5	320.068473	NA	MeJP	NA	NA
+MJ032961	Palmarumycin C6 	C19H12O5	320.068473	NA	MeJP	NA	NA
+MJ032962	Phlebiarubrone; 4'-Hydroxy 	C19H12O5	320.068473	NA	MeJP	NA	NA
+C12390	Dehydrorabelomycin	C19H12O5	320.0685	NA	KEGG	NA	NA
+C12399	19-Hydroxytetrangulol	C19H12O5	320.0685	NA	KEGG	NA	NA
+MJ032963	Fenirofibrate 	C17H17ClO4	320.081536	NA	MeJP	NA	NA
+MJ032964	Flustramine C; 8,8a-Dihydro 	C16H21BrN2	320.088811	NA	MeJP	NA	NA
+MJ032965	Flustramine E 	C16H21BrN2	320.088811	NA	MeJP	NA	NA
+C02947	4-Coumaroylshikimate	C16H16O7	320.0896	NA	KEGG	NA	NA
+C11586	alpha-Naphthyl-beta-D-glucuronide	C16H16O7	320.0896	NA	KEGG	NA	NA
+FL1DHYNS0001	Gliricidol	C16H16O7	320.0896	72061-66-6	knapsack	NA	NA
+FL63AJNS0001	Gallocatechin 4'-methyl ether	C16H16O7	320.0896	149561-85-3	knapsack	NA	NA
+FL63AJNS0002	Ourateacatechin	C16H16O7	320.0896	17291-05-3	knapsack	NA	NA
+FL63AJNS0003	ent-Gallocatechin 4'-methyl ether	C16H16O7	320.0896	139687-23-3	knapsack	NA	NA
+FL6D3CNS0004	Mesquitol-4alpha-ol 8-methyl ether	C16H16O7	320.0896	29810-21-7	knapsack	NA	NA
+MJ032966	1,2,3,4,6,7-Dibenzofuranhexol; 1,3,4,6-Tetra-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032967	1,2,3,4-Tetrahydro-1,2,4,5-tetrahydroxy-7-methoxy-2-methylanthraquinone 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032968	1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1'-Benzoyl, 2-Ac 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032969	1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1'-Benzoyl, 3-Ac 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032970	2-Hydroxy-5-(hydroxyacetyl)benzoic acid; 2-(2-Methyl-2-propenoyl), 2'-Ac, Me ester 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032971	3,3',4',5,5',7-Hexahydroxyflavan, 4'-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032972	3,3',4,4',7,8-Hexahydroxyflavan, 4'-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032973	3,3',4,4',7,8-Hexahydroxyflavan, 8-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032974	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3-O-(4-Hydroxycinnamoyl)(E-) 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032975	4-O-Caffeoylshikimic acid; 3''-Deoxy 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032976	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether, 7-O-(2,3-epoxy-3-methylbutanoyl) 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032977	7-Hexanoyl-2,5,7,8-tetrahydroxy-1,4-naphthoquinone 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032978	?,2',3,4,4',5-Hexahydroxydihydrochalcone; 4''-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032979	Altersolanol A; 3-Epimer, 4-deoxy 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032980	Altersolanol A; 4-Deoxy 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032981	Austrocortirubin 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032982	Barceloneic acid A 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032983	Bostrycin; 6-Deoxy 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032984	Fusarubin; 3-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032985	Fusarubin; 9-Me ether 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032986	Haematoxylol B 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032987	Nanaomycin B 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032988	Rehmaglutin C; 6-O-(4-Hydroxybenzoyl) 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032989	Stenocarpin; O-(2-Methylpropanoyl) 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032990	Ventiloquinone D; O-De-Me 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MJ032991	?-Diversonolic ester 	C16H16O7	320.089602	NA	MeJP	NA	NA
+MetaCyc02830	4-coumaroylshikimate [trans-5-O-(4-Coumaroyl)shikimate;trans-(p-coumaroyl)-shikimate;]	C16H16O7	320.089603	NA	metacyc	NA	NA
+C16938	Coptisine	C19H14NO4	320.0923	NA	KEGG	NA	NA
+MJ032992	Eniporide 	C14H16N4O3S	320.094311	NA	MeJP	NA	NA
+MJ032993	4-Methyl N-[(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]aspartate 	C15H16N2O6	320.100836	NA	MeJP	NA	NA
+FL3FA9NP0001	5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone	C20H16O4	320.10485	34187-25-2	knapsack	NA	NA
+FLIA1ANP0001	Corylin	C20H16O4	320.10485	53947-92-5	knapsack	NA	NA
+FLIA1ANP0002	Erythrinin A	C20H16O4	320.10485	63807-86-3	knapsack	NA	NA
+FLIDWXNP0001	Anhydrotuberosin;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene	C20H16O4	320.10485	41347-49-3	knapsack	NA	NA
+MJ032994	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 1-Ketone, 4'-Me ether 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ032995	2,5-Dihydroxy-3,6-diphenyl-1,4-benzoquinone; Di-Me ether 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ032996	Anhydrotuberosin 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ032997	Bidwillon C 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ032998	Corylin 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ032999	Erythrinin A 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ033000	Isopongaflavone; O-De-Me 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ033001	Ochromycinone, Me ether 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ033002	Palmarumycin CP1; 2,3-Dihydro, 4?-alcohol 	C20H16O4	320.104859	NA	MeJP	NA	NA
+MJ033003	Xestoquinolide A 	C20H16O4	320.104859	NA	MeJP	NA	NA
+C14223	Phenolphthalin	C20H16O4	320.1049	NA	KEGG	NA	NA
+MJ033004	3-Acetoxytetrahydro-2-[(3-methylsulfinyl)-1,3-nonadien-5,7-diynyl]-2H-pyran 	C17H20O4S	320.108229	NA	MeJP	NA	NA
+MJ033005	Cirsiumoside 	C13H20O9	320.110732	NA	MeJP	NA	NA
+PJ000293	GNM 	C11H20N4O5S	320.1155	NA	PeJP	NA	NA
+MJ033006	3-p-Anisylidene-6-benzylidene-2,5-piperazinedione 	C19H16N2O3	320.116092	NA	MeJP	NA	NA
+MJ033007	Alangimaridine, 13,13a-Didehydro 	C19H16N2O3	320.116092	NA	MeJP	NA	NA
+MJ033008	Darlucin A 	C19H16N2O3	320.116092	NA	MeJP	NA	NA
+MJ033009	Isoalangimarine 	C19H16N2O3	320.116092	NA	MeJP	NA	NA
+MJ033010	Leptocillin 	C19H16N2O3	320.116092	NA	MeJP	NA	NA
+MJ033011	Nauclefoline 	C19H16N2O3	320.116092	NA	MeJP	NA	NA
+C09329	Alangimarine	C19H16N2O3	320.1161	NA	KEGG	NA	NA
+MJ033012	5-Ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-2,4,6(1H,3H,5H)-pyrimidinetrione 	C16H17FN2O4	320.117235	NA	MeJP	NA	NA
+MJ033013	Reductiline 	C16H20N2O3S	320.119463	NA	MeJP	NA	NA
+MJ033014	Mugineic acid 	C12H20N2O8	320.121965	NA	MeJP	NA	NA
+C15500	Mugineic acid	C12H20N2O8	320.122	NA	KEGG	NA	NA
+C15502	3-Epihydroxy-2'-deoxymugineic acid	C12H20N2O8	320.122	NA	KEGG	NA	NA
+8096	ACE inhibitor	AGSS	320.122	inhibitor	Inhouse_peptide	NA	peptide
+MJ033015	Triciribine 	C13H16N6O4	320.123303	NA	MeJP	NA	NA
+MJ033016	Wybutine, 2''-Hydroxy 	C13H16N6O4	320.123303	NA	MeJP	NA	NA
+MJ033017	Ye-base 	C13H16N6O4	320.123303	NA	MeJP	NA	NA
+MJ033018	1,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, O1-Et 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033019	1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033020	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Ketone, 3-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033021	1,3,4,4a,9a,10-Hexahydro-4,5,8-trihydroxy-6-methoxy-4a-methyl-10,1-(epoxymethano)anthracen-9(2H)-one 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033022	1,3,8-Trihydroxy-4,11(13)-eudesmadien-12,6-olide, 3-Ketone, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033023	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 2,3-Didehydro, 4-ketone, 14-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033024	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033025	1,8-Dihydroxy-2-oxo-3,7(11)-eudesmadien-12,8-olide, 1-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033026	1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,5'-Tri-Me ether 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033027	1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-2-propanol; 2',3''-Di-Me ether 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033028	10,14-Epoxy-3,8-dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033029	10,14-Epoxy-3,8-dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033030	15-Hydroxy-1-oxo-4,10(14),11(13)-germacratrien-12,8-olide, 4?,5?-Epoxide, Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033031	17-Hydroxy-13,14,15,16-tetranor-7,9(11)-labdadiene-12,17:19,6-diolide, 7?,8?-Epoxide, Me ether 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033032	2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 14-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033033	2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Aldehyde, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033034	3,20-Epoxy-3,14-dihydroxy-13-oxo-8(14)-podocarpen-19,6-olide 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033035	3,4-Epoxy-1,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033036	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033037	3,8,9-Trihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033038	3,8,9-Trihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 9-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033039	3-Hydroxy-1(10),4-germacradiene-12,8:15,6-diolide, Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033040	4,8-Dihydroxy-1-oxo-2-eudesmen-12,6-olide, 11,13-Didehydro, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033041	5,7-Dihydroxy-6-methyl-3-oxo-4(1H)-isobenzofurancarboxylic acid; 5-Me ether, 7-O-(3-methyl-2-butenyl), Me ester 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033042	5-Hydroxy-2,6,10-farnesatriene-1,15:13,9-diolide; Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033043	6,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033044	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 9-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033045	7-Ethyl-4,8-dihydroxy-3,6-dimethoxy-4-(2-oxopropyl)-1(4H)-naphthalenone 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033046	8,13-Dihydroxy-1-oxo-4,7(11),10(14)-germacratrien-12,6-olide, 13-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033047	8,14,15-Trihydroxy-1,3,11(13)-elematrien-12,6-olide, 14-Aldehyde, 15-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033048	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033049	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033050	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-O-Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033051	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033052	Aposphaerin A 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033053	Cavoxin 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033054	Cavoxone 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033055	Helipyrone 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033056	Isosecotanapartholide; 3-Epimer, Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033057	Isosecotanapartholide; Ac 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033058	Murragleinin; 3'-Deoxy, 2'-ketone 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033059	Mycophenolic acid 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033060	PR Toxin 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033061	Scytalol C 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033062	Tarchonanthuslactone 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033063	Virolaflorin 	C17H20O6	320.125988	NA	MeJP	NA	NA
+MJ033064	PR-toxin 	C17H20O6	320.125988	NA	MeJP	NA	NA
+C06079	PR-toxin	C17H20O6	320.126	NA	KEGG	NA	NA
+C09298	Arctolide	C17H20O6	320.126	NA	KEGG	NA	NA
+C09373	Conchosin B	C17H20O6	320.126	NA	KEGG	NA	NA
+MJ033065	5,9-Dihydro-9-methyl-2-phenyl[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-acetic acid 	C18H16N4O2	320.127325	NA	MeJP	NA	NA
+MJ033066	Amifloxacin; N4'-De-Me 	C15H17FN4O3	320.128468	NA	MeJP	NA	NA
+MJ033067	Enoxacin 	C15H17FN4O3	320.128468	NA	MeJP	NA	NA
+MJ033068	Esafloxacin 	C15H17FN4O3	320.128468	NA	MeJP	NA	NA
+C06979	Enoxacin	C15H17FN4O3	320.1285	NA	KEGG	NA	NA
+MJ033069	Jaeschkenol 	C16H26Cl2O2	320.130985	NA	MeJP	NA	NA
+PJ000294	SSQ 	C11H20N4O7	320.1332	NA	PeJP	NA	NA
+MJ033070	5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 1,3-Bis(methoxymethyl) 	C16H20N2O5	320.137221	NA	MeJP	NA	NA
+MJ033071	Fusarochromanone; N3'-Formyl 	C16H20N2O5	320.137221	NA	MeJP	NA	NA
+FL6FWXNF0001	Hildgardtene	C21H20O3	320.14124	104777-96-0	knapsack	NA	NA
+MJ033072	15-(4-Hydroxyphenyl)-2,4,6,8,10,12,14-pentadecaheptaenoic acid 	C21H20O3	320.141244	NA	MeJP	NA	NA
+MJ033073	7-Methoxy-8-(3-methyl-1,3-butadienyl)flavanone 	C21H20O3	320.141244	NA	MeJP	NA	NA
+MJ033074	Abbottin 	C21H20O3	320.141244	NA	MeJP	NA	NA
+MJ033075	Hildgardtene 	C21H20O3	320.141244	NA	MeJP	NA	NA
+MJ033076	Terferol; Di-Me ether 	C21H20O3	320.141244	NA	MeJP	NA	NA
+MJ033077	3,6-Di-tert-butyl-1-naphthalenesulfonic acid 	C18H24O3S	320.144615	NA	MeJP	NA	NA
+MJ033078	1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 4-Ketone, 2'-?-D-glucopyranoside 	C14H24O8	320.147117	NA	MeJP	NA	NA
+HMDB00901	Valproic acid glucuronide	C14H24O8	320.147125	NA	HMDB2010	NA	NA
+HMDB10347	Octanoylglucuronide	C14H24O8	320.147125	NA	HMDB2010	NA	NA
+HMDB00901	Valproic acid glucuronide	C14H24O8	320.14713	http://www.hmdb.ca/metabolites/HMDB00901	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00901	Valproic acid glucuronide	C14H24O8	320.14713	http://www.hmdb.ca/metabolites/HMDB00901	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00901	Valproic acid glucuronide	C14H24O8	320.14713	http://www.hmdb.ca/metabolites/HMDB00901	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00901	Valproic acid glucuronide	C14H24O8	320.14713	http://www.hmdb.ca/metabolites/HMDB00901	HMDB	NA	NA
+HMDB00901	Valproic acid glucuronide	C14H24O8	320.14713	HMDB00901	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0520	Octanoylglucuronide [(M-H)]-	C14H23O8	320.147625	C18rt(min)=8.06 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0520	Octanoylglucuronide [(M-H)]-	C14H23O8	320.147625	C18rt(min)=8.06 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ033079	Lesopitron 	C15H21ClN6	320.151622	NA	MeJP	NA	NA
+PJ000295	ACK 	C12H24N4O4S	320.1518	NA	PeJP	NA	NA
+MJ033080	10,22-Dioxokopsane 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033081	Befuraline 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033082	Feprazone 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033083	Javacarboline 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033084	Meloscandonine 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033085	Nauclefiline 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033086	Odalprofen 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+MJ033087	Peronatin B 	C20H20N2O2	320.152477	NA	MeJP	NA	NA
+C14307	11beta-Chloromethylestradiol	C19H25ClO2	320.1543	NA	KEGG	NA	NA
+C15010	16beta-Chloroandrost-4-ene-3,17-dione	C19H25ClO2	320.1543	NA	KEGG	NA	NA
+MJ033088	1,6-Dihydroxyfuranoeremophilan-9-one, 6-Propanoyl 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033089	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-bis(2-methylpropanoyl) 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033090	2,2',4',6'-Tetrahydroxyacetophenone; 2'-O-(3,7-Dimethyl-2,6-octadienyl) 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033091	2,2',4',6'-Tetrahydroxyacetophenone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033092	4-(5-Cyclohexyl-2,4-dimethoxyphenyl)-4-oxobutanoic acid 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033093	5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 2'',3''-Dihydro, 2'',3''-dihydroxy 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033094	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Propanoyl 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033095	8,12-Epoxy-2,5-dihydroxy-1(10),7,11-germacratrien-6-one, O2-Me, 5-Ac 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033096	8,9-Epoxy-p-mentha-1,3,5-triene-3,7-diol; Bis(2-methylpropanoyl) 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033097	8-Acetyl-5,7-dihydroxy-2,2-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran; 3,4-Dihydro, 3?-hydroxy 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033098	8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, Propanoyl 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033099	9,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 9-Propanoyl 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033100	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; Bis(2-methylpropanoyl) 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033101	Colletochlorin A, Dechloro, 6'-ketone 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033102	Hamigeran E; Debromo 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033103	Nordinone 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033104	Oudemansin; Oudemansin X 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033105	Plagiochiline L; Me ester 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033106	Tomentellin; ?3'-Isomer(E-), 6',7'-dihydro, O3-de-Me 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033107	Trisporic acid D 	C18H24O5	320.162373	NA	MeJP	NA	NA
+MJ033108	Zearalanol, 11,12E-Didehydro 	C18H24O5	320.162373	NA	MeJP	NA	NA
+C14750	alpha-Zearalenol	C18H24O5	320.1624	NA	KEGG	NA	NA
+C14751	beta-Zearalenol	C18H24O5	320.1624	NA	KEGG	NA	NA
+C14754	Zearalanone	C18H24O5	320.1624	NA	KEGG	NA	NA
+MJ033109	Rodocaine 	C18H25ClN2O	320.165541	NA	MeJP	NA	NA
+PJ000296	SSK 	C12H24N4O6	320.1696	NA	PeJP	NA	NA
+MJ033110	2-[4-[(2-Phenyl-1H-imidazol-4-yl)methyl]-1-piperazinyl]pyrimidine 	C18H20N6	320.174944	NA	MeJP	NA	NA
+C15165	12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one	C19H25FO3	320.1788	NA	KEGG	NA	NA
+MJ033111	(4-Aminobutyl)guanidine; N1-(3,4-Dimethoxycinnamoyl) 	C16H24N4O3	320.18484	NA	MeJP	NA	NA
+MJ033112	Denbufylline 	C16H24N4O3	320.18484	NA	MeJP	NA	NA
+MJ033113	Ciprafamide 	C21H24N2O	320.188863	NA	MeJP	NA	NA
+MJ033114	Cylindricine G 	C18H28N2OS	320.192234	NA	MeJP	NA	NA
+MJ033115	Antibiotic Y 03762J 	C14H28N2O6	320.194736	NA	MeJP	NA	NA
+MJ033116	Diptocarpidine; S,S'-Dideoxy 	C15H32N2OS2	320.195605	NA	MeJP	NA	NA
+MJ033117	1,4-Diacetoxy-2-[(2,2-dimethyl-6-methylenecyclohexyl)ethyl]-1,3-butadiene 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033118	1-Heptadecene-11,13-diyne-8,9,10-triol, 8-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033119	1-Heptadecene-4,6-diyne-3,9,10-triol, 10-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033120	15,16-Epoxy-18-nor-8(17),13(16),14-labdatriene-2,3,19-triol 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033121	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Butanoyl 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033122	2,19-Epoxy-2,3-dihydroxyandrostan-16-one 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033123	2-Hydroxy-15-oxo-18-nor-19-kauranoic acid 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033124	3(15)-Gymnomitrene-1,10-diol, Di-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033125	3,16,18-Trihydroxyandrost-5-en-17-one 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033126	3,9-Dihydroxy-1(10),11-spirovetivadien-2-one, 9-(2-Methylpropanoyl) 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033127	3-Hydroxy-16-nor-2-oxo-3-erythroxylen-15-oic acid 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033128	3-Hydroxy-17-nor-8-oxo-13-labden-15-oic acid, 3-Ketone 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033129	4(15),10(14),11-Germacratriene-3,9-diol, Di-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033130	4,11(13)-Cadinadiene-12,15-diol, Di-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033131	4,7(11)-Eudesmadiene-12,13-diol; Di-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033132	4-Isocedrene-14,15-diol; Di-Ac 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033133	9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid, Me ester 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033134	Atractyligenin 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033135	Brombyin 5 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033136	Flexilin 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033137	Fukinanolide; 9?-Hydroxy, 9-(2-methylpropanoyl) 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033138	Furanoeremophilane-1,3-diol, 3-(2-Methylpropanoyl) 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033139	Furanoeremophilane-6,10-diol, 6-(2-Methylpropanoyl) 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033140	Gingerdiones; [8]Gingerdione 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033141	Monacolin J 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033142	Oryzalide A 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033143	Oryzalide B 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033144	Pentandranoic acid B 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033145	Platycarphol 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MJ033146	Sandresolide A; 5?-Hydroxy 	C19H28O4	320.198759	NA	MeJP	NA	NA
+MetaCyc02831	testolate []	C19H28O4	320.198759	NA	metacyc	NA	NA
+MetaCyc02832	QH2 [ubiquinol;coQH2;]	C19H28O4	320.198759	56275-39-9	metacyc	NA	NA
+HMDB01304	QH2	C19H28O4	320.19876	http://www.hmdb.ca/metabolites/HMDB01304	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01304	QH2	C19H28O4	320.19876	http://www.hmdb.ca/metabolites/HMDB01304	HMDB	NA	NA
+HMDB01304	QH2	C19H28O4	320.19876	http://www.hmdb.ca/metabolites/HMDB01304	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01304	QH2	C19H28O4	320.19876	HMDB01304	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01304	QH2	C19H28O4	320.198761	NA	HMDB2010	NA	NA
+C01618	Testolate	C19H28O4	320.1988	NA	KEGG	NA	NA
+C09685	10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane	C19H28O4	320.1988	NA	KEGG	NA	NA
+MJ033147	Fortimicin KR1 	C13H28N4O5	320.20597	NA	MeJP	NA	NA
+MJ033148	13-Hydroxylupanine; O-Propanoyl 	C18H28N2O3	320.209992	NA	MeJP	NA	NA
+MJ033149	3,4-Diethoxy-?-methoxy-N-(1-methyl-2-pyrrolidinylidene)benzeneethanamine 	C18H28N2O3	320.209992	NA	MeJP	NA	NA
+MJ033150	2-Amino-12 methyl-1,3,12-tetradecanetriol; N-Hydroxy, N-nitroso 	C15H32N2O5	320.231122	NA	MeJP	NA	NA
+EUR109	8(9)-EET	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR110	11(12)-EET	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR111	14(15)-EET	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR137	5-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR138	8-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR139	9-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR140	11-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR141	12-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR142	15-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR143	19-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR144	20-HETE	C20H32O3	320.2351	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR109	8(9)-EET	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR110	11(12)-EET	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR111	14(15)-EET	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR137	5-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR138	8-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR139	9-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR140	11-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR141	12-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR142	15-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR143	19-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR144	20-HETE	C20H32O3	320.2351	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR109	8(9)-EET	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR110	11(12)-EET	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR111	14(15)-EET	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR137	5-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR138	8-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR139	9-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR140	11-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR141	12-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR142	15-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR143	19-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR144	20-HETE	C20H32O3	320.2351	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR109	8(9)-EET	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR110	11(12)-EET	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR111	14(15)-EET	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR137	5-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR138	8-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR139	9-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR140	11-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR141	12-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR142	15-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR143	19-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+EUR144	20-HETE	C20H32O3	320.2351	Wishlist	Inhousejuil11	NA	NA
+C04742	(15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate	C20H32O3	320.2351	NA	KEGG	NA	NA
+C04805	5(S)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14748	20-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14749	19(S)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14768	5,6-EET	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14769	8,9-EET	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14770	11,12-EET	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14771	14,15-EET	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14776	8(S)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14777	12(S)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14778	16(R)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14779	9(S)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14780	11(R)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14822	12(R)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14824	8(R)-HETE	C20H32O3	320.2351	NA	KEGG	NA	NA
+C14961	3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one	C20H32O3	320.2351	NA	KEGG	NA	NA
+C15035	17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one	C20H32O3	320.2351	NA	KEGG	NA	NA
+C15041	17-Methylandrost-5-ene-3beta,11beta,17beta-triol	C20H32O3	320.2351	NA	KEGG	NA	NA
+C15138	17beta-Methoxyandrost-5-ene-3beta,16beta-diol	C20H32O3	320.2351	NA	KEGG	NA	NA
+C15349	11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one	C20H32O3	320.2351	NA	KEGG	NA	NA
+HMDB02190	5,6-Epoxy-8,11,14-eicosatrienoic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB02232	8,9-Epoxyeicosatrienoic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB02283	14R,15S-EpETrE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB02344	Hydroxyeicosatetraenoic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB03876	15(S)-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB04264	14,15-epoxy-5,8,11-eicosatrienoic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB04673	11,12-Epoxyeicosatrienoic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB04679	8-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB04680	16(R)-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB04682	11(R)-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB05998	20-Hydroxyeicosatetraenoic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB06111	12-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB06245	18-Hydroxyarachidonic acid	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB10222	9-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB10409	11,12-EpETrE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB11134	5-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB11136	19(S)-HETE	C20H32O3	320.235138	NA	HMDB2010	NA	NA
+HMDB02110	15-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02110	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03876	15(S)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB03876	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06111	12-hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB06111	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02110	15-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02110	HMDB	NA	NA
+HMDB02190	5,6-epoxy-8,11,14-eicosatrienoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02190	HMDB	NA	NA
+HMDB02218	5-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02218	HMDB	NA	NA
+HMDB02232	8,9-epoxyeicosatrienoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02232	HMDB	NA	NA
+HMDB02283	14R,15S-EpETrE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02283	HMDB	NA	NA
+HMDB02344	Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02344	HMDB	NA	NA
+HMDB03876	15(S)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB03876	HMDB	NA	NA
+HMDB04264	14,15-epoxy-5,8,11-eicosatrienoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB04264	HMDB	NA	NA
+HMDB04673	11,12-Epoxyeicosatrienoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB04673	HMDB	NA	NA
+HMDB04679	8(S)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB04679	HMDB	NA	NA
+HMDB04680	16(R)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB04680	HMDB	NA	NA
+HMDB04682	11(R)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB04682	HMDB	NA	NA
+HMDB04698	12(R)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB04698	HMDB	NA	NA
+HMDB05080	8-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB05080	HMDB	NA	NA
+HMDB05998	20-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB05998	HMDB	NA	NA
+HMDB06111	12-hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB06111	HMDB	NA	NA
+HMDB06244	12 hydroxy arachidonic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB06244	HMDB	NA	NA
+HMDB06245	18 hydroxy arachidonic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB06245	HMDB	NA	NA
+HMDB02110	15-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB02110	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03876	15(S)-HETE	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB03876	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06111	12-hydroxyeicosatetraenoic acid	C20H32O3	320.23514	http://www.hmdb.ca/metabolites/HMDB06111	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02110	15-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	HMDB02110	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02190	5,6-epoxy-8,11,14-eicosatrienoic acid	C20H32O3	320.23514	HMDB02190	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02218	5-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	HMDB02218	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02232	8,9-epoxyeicosatrienoic acid	C20H32O3	320.23514	HMDB02232	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02283	14R,15S-EpETrE	C20H32O3	320.23514	HMDB02283	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02344	Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	HMDB02344	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03876	15(S)-HETE	C20H32O3	320.23514	HMDB03876	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04264	14,15-epoxy-5,8,11-eicosatrienoic acid	C20H32O3	320.23514	HMDB04264	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04673	11,12-Epoxyeicosatrienoic acid	C20H32O3	320.23514	HMDB04673	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04679	8(S)-HETE	C20H32O3	320.23514	HMDB04679	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04680	16(R)-HETE	C20H32O3	320.23514	HMDB04680	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04682	11(R)-HETE	C20H32O3	320.23514	HMDB04682	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04698	12(R)-HETE	C20H32O3	320.23514	HMDB04698	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05080	8-HETE	C20H32O3	320.23514	HMDB05080	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05998	20-Hydroxyeicosatetraenoic acid	C20H32O3	320.23514	HMDB05998	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06111	12-hydroxyeicosatetraenoic acid	C20H32O3	320.23514	HMDB06111	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06244	12 hydroxy arachidonic acid	C20H32O3	320.23514	HMDB06244	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06245	18 hydroxy arachidonic acid	C20H32O3	320.23514	HMDB06245	PFEM_hmdb_metabocards_official	NA	NA
+MJ033151	1(10),4-Germacradiene-6,8-diol, 8-(3-Methyl-2-butenoyl) 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033152	1(10),4-Germacradiene-6,8-diol, 8-Angeloyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033153	1(10),4-Germacradiene-6,8-diol, 8-Tigloyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033154	1(10)-Guaiene-8,11-diol, 8-(3-Methyl-2-butenoyl) 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033155	1(15),7-Dolastadiene-4,9,14-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033156	1(15),7-Dolastadiene-6,9,14-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033157	1(15),8-Dolastadiene-4,14,16-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033158	1(15),8-Dolastadiene-4,7,14-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033159	1,12-Epoxy-2,7,15-cembratriene-4,11-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033160	1,19-Dihydroxy-2,6,10,14-phytatetraen-13-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033161	1,2-Dihydroxy-12-cassen-11-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033162	1,3,7,11-Cembratetraen-15-ol, 3R*,4S*:11R*,12S*-Diepoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033163	1,4-Dihydroxy-2,7(19),10,14-phytatetraen-13-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033164	1,6,10,14-Phytatetraene-3,13-diol, 13-Ketone, 14,15-Epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033165	1,6,10-Farnesatriene-3,12-diol, 12-Angeloyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033166	1,6-Dihydroxy-2,7(19),10,14-phytatetraen-13-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033167	1,7-Dihydroxy-2,5,10,14-phytatetraen-13-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033168	1-(2,6-Dihydroxyphenyl)-1-tetradecanone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033169	1-(4-Hydroxyphenyl)-5-tetradecanone; 3'-Hydroxy 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033170	1-Hydroxy-12-oxo-2,6,14-phytatrien-19-al 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033171	1-Hydroxy-2,6,10,14-phytatetraen-13-one, 2,3-Epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033172	1-Hydroxy-2,6,10,14-phytatetraen-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033173	1-Silphinene-3,5-diol; 5-(3-Methylbutanoyl) 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033174	10,11-Epoxy-2,7,12(20)-cembratriene-4,6-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033175	11,12-Epoxy-2,7-cembradiene-4,6-diol, 6-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033176	11,12-Epoxy-7,17-sacculatadiene-1,11-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033177	11,13-Epoxy-8(12),17-sacculatadiene-13,15-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033178	11,16-Epoxy-1,17-kauranediol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033179	11-Hydroxy-14-oxo-19-chinanal; 11?-form 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033180	11-Hydroxy-5,8,12,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033181	12,15-Dihydroxy-8(17),13-labdadien-16-al 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033182	12,18(20)-Cyathadiene-7,14,19-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033183	12-Hydroxy-5,8,10,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033184	13(16),14-Labdadiene-8,19-diol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033185	13,16-Spatadiene-5,15,18,19-tetrol, 19-Deoxy 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033186	13,17-Spatadiene-5,16-diol, 17?,18-Epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033187	13,18-Dihydroxy-8(14)-abieten-7-one; 13?-form 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033188	13,18-Dihydroxy-8,10,15-lobatrien-17-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033189	13,18-Dihydroxy-8,14-labdadien-7-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033190	13-Atisene-1,16,17-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033191	13-Atisene-11,16,17-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033192	13-Atisene-7,16,17-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033193	13-Hydroxy-1(10),14-halimadien-18-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033194	13-Hydroxy-1(10),14-halimadien-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033195	13-Hydroxy-5,8,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033196	13-Hydroxy-7,14-labdadien-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033197	13-Hydroxy-8(14)-totaren-19-oic acid; 13?-form 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033198	14,15-Dihydroxy-8(17),12-labdadien-16-al 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033199	14,15-Epoxy-5,8,11-eicosatrienoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033200	14,16-Epoxy-7-isopimarene-6,15-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033201	15,16-Dihydroxy-3-erythroxylen-2-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033202	15,16-Dihydroxy-8(14)-isopimaren-7-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033203	15,16-Epoxy-13(16),14-labdadiene-3,8-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033204	15,16-Epoxy-13(16),14-labdadiene-8,12-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033205	15,16-Epoxy-13(16),14-labdadiene-8,19-diol; 8?-form 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033206	15,16-Epoxy-2,3-kauranediol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033207	15,16-Epoxy-8(14)-pimarene-1,11-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033208	15-Beyerene-1,12,17-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033209	15-Beyerene-3,14,18-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033210	15-Beyerene-7,12,17-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033211	15-Beyerene-7,14,18-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033212	15-Hydroxy-1(10),13-halimadien-18-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033213	15-Hydroxy-3,7,11-cembratrien-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033214	15-Hydroxy-3-cleroden-18,19-olide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033215	15-Hydroxy-5,8,11,13-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033216	15-Isopimarene-7,8,14-triol, 7-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033217	15-Isopimarene-7,8,18-triol, 7-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033218	15-Kaurene-17,18-diol; ent-form, 17-Hydroperoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033219	15-Kaurene-3,7,18-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033220	15-Kaurene-7,17,18-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033221	15-Kaurene-7,18-diol, 15?,16?-Epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033222	15-Pimarene-8,19-diol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033223	16,17,19-Kauranetriol, 19-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033224	16,18-Kauranediol, 18-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033225	16,19-Atisanediol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033226	16,19-Kauranediol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033227	16-Hydroxy-3,13-clerodadien-15,16-olide, 13?,14-Dihydro 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033228	16-Kaurene-2,14,15-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033229	16-Kaurene-2,18,19-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033230	16-Kaurene-2,3,15-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033231	16-Kaurene-2,6,15-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033232	16-Kaurene-3,7,18-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033233	16-Kaurene-7,15,18-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033234	16-Oxo-3-cleroden-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033235	16-Oxo-8(17)-labden-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033236	17,19-Kauranediol, 17-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033237	17,19-Kauranediol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033238	17,19-Kauranediol, 17-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033239	18,19-Epoxy-1(9),6,13-xenicatrien-18-ol; 18?-form, (6R,7R)-Epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033240	18-Hydroxy-3-cleroden-15,16-olide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033241	18-Hydroxy-7,13-labdadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033242	19-Hydroxy-12-prenyl-3-cedren-14-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033243	19-Hydroxy-3,13-clerodadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033244	19-Hydroxy-5,8,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033245	2(4),14-Decipiadiene-1,18,19-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033246	2,13-Dihydroxy-8,14-labdadien-7-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033247	2,16-Epoxy-1(15),3,11-cembratriene-7,8-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033248	2,6,10,14-Phytatetraene-1,12,19-triol, 12-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033249	2,6,10,14-Phytatetraene-1,12-diol, 1-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033250	2,6,10,14-Phytatetraene-1,18,19-triol, 19-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033251	2,6,10,14-Phytatetraene-1,18,19-triol, 18-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033252	2,6,10,14-Phytatetraene-1,18-diol, 18-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033253	2,6,19-Trachylobanetriol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033254	2,6-Humuladiene-1,4-diol, 1-(2-Methyl-2-butenoyl) 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033255	2,7,10-Cembratriene-4,6,12-triol, 6-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033256	2,7,11-Cembratriene-4,10-diol, 10-Ketone, 11?,12?-epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033257	2,7,11-Cembratriene-4,6,10-triol, 10-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033258	2,7,11-Cembratriene-4,6,10-triol, 6-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033259	2,7,12(20)-Cembratriene-4,6,11-triol, 11-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033260	2,9,13-Verrucosanetriol, 9-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033261	2-Hydroxy-3,13-clerodadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033262	2-Hydroxy-3-cleroden-15-oic acid, 2-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033263	2-Hydroxy-5-eremen-20-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033264	2-Hydroxy-6-tridecylbenzoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033265	2-Hydroxy-8(17),13-labdadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033266	20-Hydroxy-3,13-clerodadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033267	20-Hydroxy-3,7,15-cembratrien-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033268	20-Hydroxy-5,8,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033269	3,11-Dihydroxy-15-cembren-6-one, 3,11-Diketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033270	3,12-Cyathadiene-11,14,15-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033271	3,13-Clerodadiene-15,17-diol, 17-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033272	3,13-Clerodadiene-15,18-diol, 18-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033273	3,15-Dihydroxy-7,13-labdadien-2-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033274	3,15-Epoxy-18-hydroxy-7,11-cembradien-19-al 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033275	3,16,17-Atisanetriol, 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033276	3,16,17-Kauranetriol, 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033277	3,16,17-Phyllocladanetriol, 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033278	3,4-Epoxy-13(15),16-sphenolobadiene-5,18-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033279	3,4-Epoxy-13,16-sphenolobadiene-15,18-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033280	3,4-Seco-2-verrucosene-5,6,8-triol, 8-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033281	3,4:7,8-Diepoxy-12-dolabellen-18-ol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033282	3,7-Cyclo-11,12-epoxy-1,4(18)-cembradiene-8,14-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033283	3,7-Dolabelladiene-9,12-diol, 7S*,8S*-Epoxide, 9-ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033284	3,7-Dolabelladiene-9,12-diol, 3S*,4S*-Epoxide, 9-ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033285	3,7-Epoxy-1,10-bisaboladien-12-ol; 3-Methylbutanoyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033286	3,7-Epoxy-1,10-bisaboladien-12-ol; Pentanoyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033287	3-Hydroxy-14,15-dinor-7-labden-13-one, Ac 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033288	3-Hydroxy-5,8,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033289	3-Oxo-4(19)-cleroden-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033290	3-Viscidene-5,16-diol; 5-Ketone, 16-carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033291	4(15),11-Eudesmadien-2-ol; 2?-form, 2-(3-Hydroxy-3-methylbutanoyl) 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033292	4(15)-Eudesmene-1,6-diol, 6-Angeloyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033293	4(18),13-Clerodadien-15-ol, 15-Carboxylic acid, 4?,18-epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033294	4(18),13-Clerodadien-15-ol, 15-Carboxylic acid, 4?,18-epoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033295	4(18),13-Clerodadiene-3,15-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033296	4(3?2)-Abeo-13-hydroxy-2(4),14-clerodadien-3-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033297	4,12-Dihydroxy-2,6-dolabelladien-9-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033298	4,12-Dihydroxy-2,7-dolabelladien-9-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033299	4,15,16-Trihydroxy-4,5-seco-5-rosanone, 4-Deoxy, 4,18-didehydro, 15-ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033300	4,8(19),14-Xeniaphyllatrien-13-ol; 4,5:14,15-Diepoxide 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033301	5(10)-Halimene-3,15-diol, 3-Ketone, 15-carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033302	5,14-Dihydroxy-3-visciden-20-oic acid; 14-Deoxy,14,15-didehydro 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033303	5-Hydroxy-17-eremen-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033304	5-Hydroxy-3,14-viscidadien-16-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033305	5-Hydroxy-3,14-viscidadien-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033306	5-Hydroxy-6,8,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033307	6,13-Dihydroxy-7,14-labdadien-17-al 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033308	6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033309	6-Hydroxy-8(17),13-labdadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033310	7,13-Dihydroxy-3,14-clerodadien-2-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033311	7,13-Labdadiene-15,16-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033312	7,13-Labdadiene-15,17-diol, 17-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033313	7,13-Labdadiene-2,15-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033314	7,13-Labdadiene-2,3,15-triol, 15-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033315	7,13-Labdadiene-3,15-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033316	7,13-Labdadiene-6,15-diol, 6-Ketone, 13S,14-dihydro, 15-carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033317	7,16,17-Kauranetriol, 7-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033318	7,20-Dihydroxy-15-kauranone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033319	7,8-Dihydroxy-15-pimaren-3-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033320	7,8-Epoxy-3,11,15-cembratriene-2,18-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033321	7-Hydroxy-16-spongianone; 7?-form 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033322	7-Hydroxy-8(17),13-clerodadien-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033323	7-Isopimarene-3,15,16-triol, 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033324	7-Isopimarene-3,15,16-triol, 15-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033325	7-Labdene-15,17-diol, 17-Carboxylic acid, 15-aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033326	7-Labdene-3,15-diol, 15-Carboxylic acid, 3-ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033327	7-Oxo-3-cleroden-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033328	7-Pimarene-3,15,16-triol, 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033329	8(14),15-Isopimaradiene-1,6,9-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033330	8(14),15-Isopimaradiene-2,18,19-triol; 2?-form 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033331	8(14),15-Isopimaradiene-3,18,19-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033332	8(14),15-Pimaradiene-3,7,19-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033333	8(14)-Pimarene-2,15,16-triol, 2-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033334	8(14)-Pimarene-3,15,16-triol, 15-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033335	8(17),13-Labdadiene-15,18-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033336	8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033337	8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033338	8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033339	8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033340	8(17),13-Labdadiene-3,15,19-triol, 19-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033341	8(17),13-Labdadiene-3,15-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033342	8(17),13-Labdadiene-7,15-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033343	8(17),14-Labdadiene-13,19-diol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033344	8(17)-Labdene-15,18-diol, 18-Carboxylic acid, 15-aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033345	8(17)-Labdene-15,19-diol, 15-Carboxylic acid, 19-aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033346	8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033347	8,11-Epoxy-4-hydroxy-2,12-cembradien-6-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033348	8,12-Dihydroxy-15-isopimaren-11-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033349	8,12-Epoxy-13-labden-1-ol, 11?-Hydroxy, 1-ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033350	8,12-Epoxy-13-labden-15-ol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033351	8,12-Epoxy-13-labdene-15,16-diol, 16-Aldehyde 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033352	8,13-Dihydroxy-5,14-labdadien-7-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033353	8,13-Dihydroxy-5-neoverrucosanone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033354	8,13-Epoxy-11-hydroxy-14-labden-3-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033355	8,13-Epoxy-14-labden-18-ol, 18-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033356	8,13-Epoxy-14-labden-18-ol, Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033357	8,13-Epoxy-14-labden-19-ol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033358	8,13-Epoxy-16-hydroxy-14-labden-19-al 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033359	8,13-Epoxy-16-hydroxy-14-labden-3-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033360	8,13-Epoxy-19-hydroxy-14-labden-2-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033361	8,13-Epoxy-3-hydroxy-14-labden-2-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033362	8,13-Epoxy-6-hydroxy-14-labden-11-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033363	8,13-Epoxy-9-hydroxy-14-labden-11-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033364	8,13-Labdadiene-15,19-diol, 15-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033365	8,13-Labdadiene-15,19-diol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033366	8,13:14,15-Diepoxy-3-labdanol, 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033367	8,15-Isopimaradiene-3,7,19-triol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033368	8,19-Dihydroxy-15-pimaren-3-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033369	8,9-Epoxy-5,11,14-eicosatrienoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033370	8-Abietene-14,18-diol; 14?-form, 18-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033371	8-Daucene-4,6-diol, 6-Angeloyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033372	8-Daucene-5,10-diol, 10-Angeloyl 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033373	8-Hydroxy-12,14-labdadien-19-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033374	8-Hydroxy-17-sacculatene-11,13-dial 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033375	8-Hydroxy-5,9,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033376	8-Oxo-7,8-seco-12,14-labdadien-7-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033377	9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol; 3-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033378	9,11:12,13-Diepoxy-3-abietanol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033379	9,13-Dihydroxy-7,14-labdadien-6-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033380	9,13-Epoxy-14-labden-19-ol, 19-Carboxylic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033381	9,13-Epoxy-14-labdene-6,19-diol, 6-Ketone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033382	9,13-Epoxy-18-hydroxy-14-labden-7-one 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033383	9,13-Epoxy-6,14-labdadiene-5,8-diol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033384	9,13-Epoxy-7-labden-15-oic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033385	9-Hydroxy-5,7,11,14-eicosatetraenoic acid 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033386	Androst-5-ene-3,16,17-triol, 3-Me ether 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033387	Aplykurodin A; 17,18-Didehydro 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033388	Crispanone; Deoxo 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033389	Crotonitenone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033390	Dictyol H; O-De-Ac 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033391	Dictyotriol A 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033392	Dictyotriol C 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033393	Dictyotriol E 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033394	Dictyoxetane 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033395	Haploparvone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033396	Indicol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033397	Leucoxol 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033398	Mutilin 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033399	Norpectinatone 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033400	Pachydictyol A; 8?,11?-Dihydroxy 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033401	Pilosanone A 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033402	Vibsanin F; ?15-Isomer, 14?-hydroxy 	C20H32O3	320.235144	NA	MeJP	NA	NA
+MJ033403	Vittadinal 	C20H32O3	320.235144	NA	MeJP	NA	NA
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	HMDB	NA	NA
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02833	(15S)-15-hydroxy-5,8,11-cis-13-trans-icosatetraenoate [(15S)-15-hydroxy-5,8,11-cis-13-trans-eicosatetraenoate;]	C20H32O3	320.235145	NA	metacyc	NA	NA
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR109	8(9)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR110	11(12)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR111	14(15)-EET	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR137	5-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR138	8-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR139	9-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR140	11-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR141	12-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR142	15-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR143	19-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR144	20-HETE	C20H32O3	320.235145	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR494	8(9)-EET F1	NA	320.235325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR490	19-HETE F1	NA	320.236225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR489	5,6-DHET F2	NA	320.238025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR489	5,6-DHET F2	NA	320.238025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR489	5,6-DHET F2	NA	320.238025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR489	5,6-DHET F2	NA	320.238025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR489	5,6-DHET F2	F2	320.238025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ033404	4-Nitrobenzenebutanamine; N-Et, N-heptyl 	C19H32N2O2	320.246378	NA	MeJP	NA	NA
+MJ033405	?-[[2-(Diethylamino)ethyl]amino]benzeneacetic acid, 3-Methylbutyl ester 	C19H32N2O2	320.246378	NA	MeJP	NA	NA
+C14981	3beta-Fluoro-5beta-pregnan-20-one	C21H33FO	320.2515	NA	KEGG	NA	NA
+MJ033406	N-(2-Diisopropylaminoethyl)-N-(4,6-dimethyl-2-pyridinyl)-N',N'-dimethylurea 	C18H32N4O	320.257611	NA	MeJP	NA	NA
+C05484	Pregnanediol	C21H36O2	320.2715	NA	KEGG	NA	NA
+C10809	5-Pentadecylresorcinol	C21H36O2	320.2715	NA	KEGG	NA	NA
+C14878	6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol	C21H36O2	320.2715	NA	KEGG	NA	NA
+C14982	6beta,17-Dimethyl-5alpha-androstane-3beta,17beta-diol	C21H36O2	320.2715	NA	KEGG	NA	NA
+C15047	11,17-Dimethyl-5alpha-androstane-11beta,17beta-diol	C21H36O2	320.2715	NA	KEGG	NA	NA
+C15198	3-Ethyl-5alpha-androstane-3alpha,17beta-diol	C21H36O2	320.2715	NA	KEGG	NA	NA
+C18042	5alpha-Pregnane-3alpha,20alpha-diol	C21H36O2	320.2715	NA	KEGG	NA	NA
+HMDB02156	3a,20b-Pregnanediol	C21H36O2	320.27151	http://www.hmdb.ca/metabolites/HMDB02156	HMDB	NA	NA
+HMDB04025	Pregnanediol	C21H36O2	320.27151	http://www.hmdb.ca/metabolites/HMDB04025	HMDB	NA	NA
+HMDB05943	5beta-Pregnanediol	C21H36O2	320.27151	http://www.hmdb.ca/metabolites/HMDB05943	HMDB	NA	NA
+HMDB06013	7a,17-dimethyl-5b-Androstane-3a,17b-diol	C21H36O2	320.27151	http://www.hmdb.ca/metabolites/HMDB06013	HMDB	NA	NA
+HMDB02156	3a,20b-Pregnanediol	C21H36O2	320.27151	HMDB02156	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04025	Pregnanediol	C21H36O2	320.27151	HMDB04025	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05943	5beta-Pregnanediol	C21H36O2	320.27151	HMDB05943	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06013	7a,17-dimethyl-5b-Androstane-3a,17b-diol	C21H36O2	320.27151	HMDB06013	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02156	3a,20b-Pregnanediol	C21H36O2	320.271515	NA	HMDB2010	NA	NA
+HMDB04025	Pregnanediol	C21H36O2	320.271515	NA	HMDB2010	NA	NA
+HMDB06013	7a,17-dimethyl-5b-Androstane-3a,17b-diol	C21H36O2	320.271515	NA	HMDB2010	NA	NA
+MJ033407	1-Hydroxy-2,5,12,15-heneicosatetraen-4-one, 5,6-Dihydro 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033408	1-Hydroxy-2,5,12-heneicosatrien-4-one 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033409	1-Hydroxy-2,5,14-heneicosatrien-4-one 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033410	1-Hydroxy-2,5,16-heneicosatrien-4-one 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033411	16,17-Kauranediol, 16-Me ether 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033412	17-Cneorubene-4,10-diol, 10-Me ether 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033413	2,6,10-Farnesatrien-1-ol, Hexanoyl 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033414	2,7,11-Cembratriene-4,10-diol, 4-Me ether 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033415	3-Pentadecyl-1,2-benzenediol 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033416	4-Pentadecyl-1,2-benzenediol 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033417	5-(13-Methyltetradecyl)-1,3-benzenediol 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033418	5-Pentadecyl-1,3-benzenediol 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033419	5-Tridecyl-1,3-benzenediol; Di-Me ether 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033420	6-Hydroxy-2,14,16,18-heneicosatetraen-4-one, 2,3-Dihydro 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033421	7,11,15-Cembratriene-3,4-diol, 3-Me ether 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033422	Probetaenone I 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033423	Uranediol 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MJ033424	Pregnanediol 	C21H36O2	320.27153	NA	MeJP	NA	NA
+MetaCyc02834	pregnanediol [5&beta;-Pregnane-3&alpha;,20&alpha;-diol;]	C21H36O2	320.27153	80-92-2	metacyc	NA	NA
+MJ033425	Cribochaline B 	C20H36N2O	320.282763	NA	MeJP	NA	NA
+MJ033426	3,6,9-Docosatriene, 9S,10R-Epoxide 	C22H40O	320.307915	NA	MeJP	NA	NA
+MJ033427	Clathculine A, 16,17-Dihydro 	C21H40N2	320.319149	NA	MeJP	NA	NA
+MJ033428	1,14-Tricosadiene 	C23H44	320.344301	NA	MeJP	NA	NA
+3400	NA	WKVIP	320.6885	MH2+	Inhouse_peptide	NA	peptide
+C14520	Chlorpyrifos-methyl	C7H7Cl3NO3PS	320.895	NA	KEGG	NA	NA
+MJ033429	Convolutamine A; 4-Debromo, N-de(2-hydroxypropyl) 	C10H13Br2NO	320.936389	NA	MeJP	NA	NA
+C14128	CGH 2466	C14H9Cl2N3S	320.9894	NA	KEGG	NA	NA
+MJ033430	Varacin A; 5-(Methylthio) 	C11H15NO2S4	320.998561	NA	MeJP	NA	NA
+MJ033431	Lopirazepam 	C14H9Cl2N3O2	321.007181	NA	MeJP	NA	NA
+MJ033432	Salazosulfamide 	C13H11N3O5S	321.041941	NA	MeJP	NA	NA
+HMDB05011	Clopidogrel	C16H16ClNO2S	321.05902	http://www.hmdb.ca/metabolites/HMDB05011	HMDB	NA	NA
+HMDB05011	Clopidogrel	C16H16ClNO2S	321.05902	HMDB05011	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05011	Clopidogrel	C16H16ClNO2S	321.059021	NA	HMDB2010	NA	NA
+MJ033433	Clopidogrel 	C16H16ClNO2S	321.059027	NA	MeJP	NA	NA
+MJ033434	Cepharadione A; N-De-Me, N-methoxy 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033435	Dicentrinone; O9-De-Me 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033436	Mollisine; 8-O-De-Me 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033437	Oxocompostelline 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033438	Oxohernangerine 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033439	Oxoisocalycinine 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033440	Stealthin A; 12-Aldehyde 	C18H11NO5	321.063722	NA	MeJP	NA	NA
+MJ033441	Diclofensine 	C17H17Cl2NO	321.068719	NA	MeJP	NA	NA
+MJ033442	Fengabine 	C17H17Cl2NO	321.068719	NA	MeJP	NA	NA
+HMDB13220	beta-Citryl-L-glutamic acid	C11H15NO10	321.069611	NA	HMDB2010	NA	NA
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR331	8-hydroxyguanosine F3	NA	321.071075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR331	8-hydroxyguanosine F3	NA	321.071075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR331	8-hydroxyguanosine F3	NA	321.071075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR331	8-hydroxyguanosine F3	NA	321.071075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR331	8-hydroxyguanosine F3	F3	321.071075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02835	deoxy-5-methylcytidylate [5-Methyldeoxycytidine 5'-phosphate;]	C10H16N3O7P1	321.072586	NA	metacyc	NA	NA
+C03495	Deoxy-5-methylcytidylate	C10H16N3O7P	321.0726	NA	KEGG	NA	NA
+C03497	Ester of phosphinic acid	PH2O2R	321.0726	NA	KEGG	NA	NA
+C03498	Ester of phosphonic acid	PH2O3R	321.0726	NA	KEGG	NA	NA
+MJ033443	Quindonium(1+); Bromide 	C16H20BrNO	321.072826	NA	MeJP	NA	NA
+CJneg0521	N4-acetylcytidine [(M+Cl)]-	C11H15ClN3O6	321.073325	C18rt(min)=4.51 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0521	N4-acetylcytidine [(M+Cl)]-	C11H15ClN3O6	321.073325	C18rt(min)=4.51 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000297	PCC 	C11H19N3O4S2	321.0817	NA	PeJP	NA	NA
+MJ033444	Salfredin C1; 5-Deoxo, N-(carboxymethyl) 	C15H15NO7	321.084851	NA	MeJP	NA	NA
+MJ033445	3-Methoxy-2-methyl-1-phenyl-9H-carbazole; 6-Chloro 	C20H16ClNO	321.092041	NA	MeJP	NA	NA
+MetaCyc02836	2-amino-4-oxo-4-&alpha;-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6, 7,8-tetrahydroxypterin []	C9H15N5O8	321.092062	NA	metacyc	NA	NA
+HMDB12143	2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin	C9H15N5O8	321.092072	NA	HMDB2010	NA	NA
+C05252	2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-Tri-	C9H15N5O8	321.0921	NA	KEGG	NA	NA
+MJ033446	Homoglutathione; L-L-form 	C11H19N3O6S	321.099456	NA	MeJP	NA	NA
+MetaCyc02837	&gamma;-L-Glutamyl-L-cysteinyl-&beta;-alanine []	C11H19N3O6S1	321.099456	NA	metacyc	NA	NA
+C04544	gamma-L-Glutamyl-L-cysteinyl-beta-alanine	C11H19N3O6S	321.0995	NA	KEGG	NA	NA
+C04545	tRNA containing 2'-O-methylguanosine	C11H16N5O8P	321.0995	NA	KEGG	NA	NA
+C11347	S-Methyl GSH	C11H19N3O6S	321.0995	NA	KEGG	NA	NA
+PJ000298	GDM 	C11H19N3O6S	321.0995	NA	PeJP	NA	NA
+MJ033447	3-Methyl-6,7-methylenedioxy-1-piperonylisoquinoline 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033448	Alkaloid PO3 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033449	Cepharadione B 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033450	Dihydrocoptisine 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033451	Griffithdione 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033452	Guattescidine; 4,5-Didehydro, O9-Me 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033453	Menisporphine 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033454	Moschatoline; Me ether 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033455	Neolitsine, 6a,7-Didehydro 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033456	Pancoridine 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033457	Splendidine 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033458	Teliglazine 	C19H15NO4	321.100107	NA	MeJP	NA	NA
+MJ033459	Berberrubine 	C19H16NO4(+)	321.100108	NA	MeJP	NA	NA
+MJ033460	Dehydropseudocheilanthifoline 	C19H16NO4(+)	321.100108	NA	MeJP	NA	NA
+MJ033461	Groenlandicine 	C19H16NO4(+)	321.100108	NA	MeJP	NA	NA
+MJ033462	Mollinedine; N-Me 	C19H16NO4(+)	321.100108	NA	MeJP	NA	NA
+MJ033463	Thalifaurine 	C19H16NO4(+)	321.100108	NA	MeJP	NA	NA
+MJ033464	Thalifendine 	C19H16NO4(+)	321.100108	NA	MeJP	NA	NA
+MJ033465	9-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thione 	C16H20ClN3S	321.106646	NA	MeJP	NA	NA
+MJ033466	Tivirapine 	C16H20ClN3S	321.106646	NA	MeJP	NA	NA
+HMDB06832	S-Glutaryldihydrolipoamide	C13H23NO4S2	321.10684	http://www.hmdb.ca/metabolites/HMDB06832	HMDB	NA	NA
+HMDB06832	S-Glutaryldihydrolipoamide	C13H23NO4S2	321.10684	HMDB06832	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06832	S-Glutaryldihydrolipoamide	C13H23NO4S2	321.106842	NA	HMDB2010	NA	NA
+PJ000299	SSE 	C11H19N3O8	321.1172	NA	PeJP	NA	NA
+MJ033467	4-Hydroxyphenylacetic acid; Nitrile, O-(3-O-acetyl-?-L-rhamnopyranoside) 	C16H19NO6	321.121237	NA	MeJP	NA	NA
+MJ033468	Evomeliaefolin 	C16H19NO6	321.121237	NA	MeJP	NA	NA
+MJ033469	Orixine, O2-De-Me 	C16H19NO6	321.121237	NA	MeJP	NA	NA
+MJ033470	Carboquone 	C15H19N3O5	321.13247	NA	MeJP	NA	NA
+MJ033471	Glutamylglycyl-4-hydroxystyrylamine 	C15H19N3O5	321.13247	NA	MeJP	NA	NA
+PJ000300	ATM 	C12H23N3O5S	321.1359	NA	PeJP	NA	NA
+MJ033472	2-[4-(3,4-Methylenedioxyphenyl)butyl]-4-(1H)-quinolinone 	C20H19NO3	321.136493	NA	MeJP	NA	NA
+MJ033473	Acronycine 	C20H19NO3	321.136493	NA	MeJP	NA	NA
+MJ033474	Girinimbine; 4'-Acetoxy 	C20H19NO3	321.136493	NA	MeJP	NA	NA
+MJ033475	Guadiscidine; Me ether 	C20H19NO3	321.136493	NA	MeJP	NA	NA
+MJ033476	Oxazidione 	C20H19NO3	321.136493	NA	MeJP	NA	NA
+C10632	Acronycine	C20H19NO3	321.1365	NA	KEGG	NA	NA
+MJ033477	Salbostatin 	C13H23NO8	321.142366	NA	MeJP	NA	NA
+MJ033478	Famciclovir 	C14H19N5O4	321.143704	NA	MeJP	NA	NA
+MJ033479	Aniflorine; Demethoxy 	C19H19N3O2	321.147726	NA	MeJP	NA	NA
+MJ033480	Nauclederine 	C19H19N3O2	321.147726	NA	MeJP	NA	NA
+MJ033481	Neoechinulin A; 3e,3h-Didehydro 	C19H19N3O2	321.147726	NA	MeJP	NA	NA
+MJ033482	Sessiflorine 	C19H19N3O2	321.147726	NA	MeJP	NA	NA
+MJ033483	Clocanfamide 	C18H24ClNO2	321.149556	NA	MeJP	NA	NA
+CJneg0522	Octanoylglucuronide [(M-H)]- (13C)	C1313CH23O8	321.151025	C18rt(min)=8.06 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0522	Octanoylglucuronide [(M-H)]- (13C)	C1313CH23O8	321.151025	C18rt(min)=8.06 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C17583	6'-Dehydro-6'-oxoparomamine	C12H23N3O7	321.1536	NA	KEGG	NA	NA
+PJ000301	TTT 	C12H23N3O7	321.1536	NA	PeJP	NA	NA
+MJ033484	1-Hydroxymethylpyrrolizidine, O-(4-Hydroxy-3,5-dimethoxybenzoyl) 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033485	6-Hydroxyhyoscyamine, N-Oxide 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033486	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(2-Hydroxy-3-phenylpropanoyl)(R-) 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033487	Convolvine; 5'-Methoxy 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033488	Convolvine; N-Me, N-oxide 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033489	Lunacridine, 3'-Hydroxy 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033490	Nilgirine 	C17H23NO5	321.157622	NA	MeJP	NA	NA
+MJ033491	Clamoxyquine 	C17H24ClN3O	321.16079	NA	MeJP	NA	NA
+3795	NA	WWPR~	321.1635	MH2+	Inhouse_peptide	NA	peptide
+MJ033492	Gabexate 	C16H23N3O4	321.168856	NA	MeJP	NA	NA
+PJ000302	GVF 	C16H23N3O4	321.1689	NA	PeJP	NA	NA
+3489	ACE inhibitor from sake lees	RF	321.169	ACE inhibitor	Inhouse_peptide	NA	peptide
+7592	ACE inhibitor	FR	321.169	antioxidative	Inhouse_peptide	NA	peptide
+MJ033493	Flavamine 	C21H23NO2	321.172878	NA	MeJP	NA	NA
+MJ033494	Lobelanidine, Diketone, N-de-Me 	C21H23NO2	321.172878	NA	MeJP	NA	NA
+MJ033495	Impromidine 	C14H23N7S	321.173564	NA	MeJP	NA	NA
+MJ033496	Sopromidine 	C14H23N7S	321.173564	NA	MeJP	NA	NA
+MJ033497	Tazofelone 	C18H27NO2S	321.176249	NA	MeJP	NA	NA
+PJ000303	FR 	C15H23N5O3	321.1801	NA	PeJP	NA	NA
+MJ033498	Cycloprodigiosin 	C20H23N3O	321.184112	NA	MeJP	NA	NA
+MJ033499	Garamine 	C13H27N3O6	321.189985	NA	MeJP	NA	NA
+3615	NA	RNVRV	321.19045	MH2+	Inhouse_peptide	NA	peptide
+MJ033500	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3,6-Di-O-tigloyl 	C18H27NO4	321.194008	NA	MeJP	NA	NA
+MJ033501	Coronafacic acid, L-Alloisoleucine amide 	C18H27NO4	321.194008	NA	MeJP	NA	NA
+MJ033502	Coronafacic acid, L-Isoleucine amide 	C18H27NO4	321.194008	NA	MeJP	NA	NA
+MJ033503	Etoxeridine 	C18H27NO4	321.194008	NA	MeJP	NA	NA
+MJ033504	Stemospironine; Demethoxy 	C18H27NO4	321.194008	NA	MeJP	NA	NA
+MJ033505	4-Coumaroylspermidine; 3'-Methoxy 	C17H27N3O3	321.205241	NA	MeJP	NA	NA
+MJ033506	Etybenzatropine 	C22H27NO	321.209264	NA	MeJP	NA	NA
+MJ033507	Phenazocine 	C22H27NO	321.209264	NA	MeJP	NA	NA
+MJ033508	Sequifenadine 	C22H27NO	321.209264	NA	MeJP	NA	NA
+C11790	Phenazocine	C22H27NO	321.2093	NA	KEGG	NA	NA
+MJ033509	Rimcazole 	C21H27N3	321.220497	NA	MeJP	NA	NA
+MJ033510	2-Amino-5-hydroxybenzoic acid; 10-Methylundecyl ester 	C19H31NO3	321.230393	NA	MeJP	NA	NA
+MJ033511	3,4-Dihydroxybenzylamine; 3-Me ether, N-(9-methyldecanoyl) 	C19H31NO3	321.230393	NA	MeJP	NA	NA
+MJ033512	Antidesmone; 8-Alcohol 	C19H31NO3	321.230393	NA	MeJP	NA	NA
+MJ033513	Melochinine; Ketone 	C19H31NO3	321.230393	NA	MeJP	NA	NA
+MJ033514	Viriditin; 8-Me ether 	C19H31NO3	321.230393	NA	MeJP	NA	NA
+MJ033515	3-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1H-indole 	C23H31N	321.245649	NA	MeJP	NA	NA
+MJ033516	Cylindricine C; Me ether 	C20H35NO2	321.266779	NA	MeJP	NA	NA
+MJ033517	Dihexyverine 	C20H35NO2	321.266779	NA	MeJP	NA	NA
+MJ033518	Dopropidil 	C20H35NO2	321.266779	NA	MeJP	NA	NA
+MJ033519	Homopumiliotoxin 321B 	C20H35NO2	321.266779	NA	MeJP	NA	NA
+MJ033520	Pumiliotoxin A, 6'-Me ether 	C20H35NO2	321.266779	NA	MeJP	NA	NA
+HMDB13624	Alpha-Linolenoyl ethanolamide	C20H35NO2	321.266785	NA	HMDB2010	NA	NA
+MJ033521	Dicyclidol 	C21H39NO	321.303164	NA	MeJP	NA	NA
+3703	NA	VTDFY	321.63645	MH2+	Inhouse_peptide	NA	peptide
+2885	nocistatin	KQKLQ	321.694	MH2+	Inhouse_peptide	NA	peptide
+MJ033522	2,2,2-Trichloroethyl carbonate 	C5H4Cl6O3	321.82916	NA	MeJP	NA	NA
+C11322	4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole	C8HCl4F3N2	321.8846	NA	KEGG	NA	NA
+C14194	3,3',5,5'-Tetrachloro-4,4'-biphenyldiol	C12H6Cl4O2	321.9122	NA	KEGG	NA	NA
+C14196	2,3,5,6-Tetrachloro-4,4'-biphenyldiol	C12H6Cl4O2	321.9122	NA	KEGG	NA	NA
+MJ033523	Minodronic acid 	C9H12N2O7P2	322.011973	NA	MeJP	NA	NA
+MetaCyc02838	minodronate [YM 529;(1-Hydroxy-2-(imidazo(1,2-a)-pyridin-3-yl)ethylidene)bisphosphonic acid monohydrate;]	C9H12N2O7P2	322.011974	NA	metacyc	NA	NA
+C00918	Chloramphenicol	C11H12Cl2N2O5	322.0123	NA	KEGG	NA	NA
+MJ033524	Acrodontiolamide 	C11H12Cl2N2O5	322.012326	NA	MeJP	NA	NA
+MJ033525	Chloramphenicol 	C11H12Cl2N2O5	322.012326	NA	MeJP	NA	NA
+MetaCyc02839	chloramphenicol []	C11H12N2O5CL2	322.012327	NA	metacyc	NA	NA
+MJ033526	Clofenoxyde 	C16H12Cl2O3	322.016349	NA	MeJP	NA	NA
+MJ033527	Trifosfamide 	C9H18Cl3N2O2P	322.017147	NA	MeJP	NA	NA
+HMDB02708	Cyanidin	C15H11ClO6	322.024414	NA	HMDB2010	NA	NA
+MJ033528	3,4',5,6,7-Pentahydroxyflavylium(1+); Chloride 	C15H11ClO6	322.024415	NA	MeJP	NA	NA
+MJ033529	1,1,1-Trichloro-4-hydroxy-11-methyl-3,5,7,9-tridecatetraen-2-one 	C14H17Cl3O2	322.029412	NA	MeJP	NA	NA
+MJ033530	Digallic acid 	C14H10O9	322.032481	NA	MeJP	NA	NA
+MetaCyc02840	digallate [Digallic acid;]	C14H10O9	322.032482	536-08-3	metacyc	NA	NA
+C01572	Digallate	C14H10O9	322.0325	NA	KEGG	NA	NA
+C01573	Peptide diphthine	C14H21N5O4R2	322.0325	NA	KEGG	NA	NA
+C01574	Dynorphin	C14H21N5O4R2	322.0325	NA	KEGG	NA	NA
+MJ033531	Bicoumol 	C18H10O6	322.047738	NA	MeJP	NA	NA
+MJ033532	Edgeworin 	C18H10O6	322.047738	NA	MeJP	NA	NA
+MJ033533	Versicolorin A, 6-Deoxy 	C18H10O6	322.047738	NA	MeJP	NA	NA
+CJneg0523	Xanthosine [(M+Cl)]- (37Cl)	C10H12Cl037ClN4O6	322.049925	C18rt(min)=4.27 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0523	Xanthosine [(M+Cl)]- (37Cl)	C10H12Cl037ClN4O6	322.049925	C18rt(min)=4.27 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ033534	Trimethyl[4-(2-oxo-1-pyrrolidinyl)-2-butynyl]ammonium(1+); Iodide 	C11H19IN2O	322.054206	NA	MeJP	NA	NA
+C00364	dTMP	C10H15N2O8P	322.0566	NA	KEGG	NA	NA
+MJ033535	Thymidine 5'-phosphate 	C10H15N2O8P	322.056601	NA	MeJP	NA	NA
+MJ033536	dTMP 	C10H15N2O8P	322.056602	NA	MeJP	NA	NA
+MetaCyc02841	dTMP [T;thymidylic acid;thymidine monophosphate;deoxythymidylate;TMP;thymidine-5'-monophosphate;thymidine-phosphate;thymidine-5'-phosphate;Deoxythymidine 5'-phosphate;5'-Thymidylic acid;Deoxythymidylic acid;Thymidylate;]	C10H15N2O8P1	322.056602	365-07-1	metacyc	NA	NA
+MetaCyc02842	thymidine 3'-monophosphate [T3P;[2-(hydroxymethyl)-5-[(5-methyl-2,4-dioxo-1H-pyrimidin-1-yl)]tetrahydrofuran-3-yl]oxyphosphonic acid;]	C10H15N2O8P1	322.056602	NA	metacyc	NA	NA
+HMDB01227	5-Thymidylic acid	C10H15N2O8P	322.05661	http://www.hmdb.ca/metabolites/HMDB01227	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01227	5-Thymidylic acid	C10H15N2O8P	322.05661	http://www.hmdb.ca/metabolites/HMDB01227	HMDB	NA	NA
+HMDB01227	5-Thymidylic acid	C10H15N2O8P	322.05661	http://www.hmdb.ca/metabolites/HMDB01227	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01227	5-Thymidylic acid	C10H15N2O8P	322.05661	HMDB01227	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01227	5-Thymidylic acid	C10H15N2O8P	322.05661	NA	HMDB2010	NA	NA
+MJ033537	16-Bromo-7,15-hexadecadiene-5,13-diynoic acid 	C16H19BrO2	322.056842	NA	MeJP	NA	NA
+MJ033538	16-Bromo-9,15-hexadecadiene-5,7-diynoic acid 	C16H19BrO2	322.056842	NA	MeJP	NA	NA
+MJ033539	Cymopochromenol 	C16H19BrO2	322.056842	NA	MeJP	NA	NA
+MJ033540	Aviprin, 3'-Deoxy, 3'-chloro 	C16H15ClO5	322.060801	NA	MeJP	NA	NA
+MJ033541	Heraclenol, 3'-Deoxy, 3'-chloro 	C16H15ClO5	322.060801	NA	MeJP	NA	NA
+MJ033542	Bisnorpenicillin V 	C14H14N2O5S	322.062342	NA	MeJP	NA	NA
+MJ033543	?-Glutamyl-S-allylthiocysteine; L-L-form 	C11H18N2O5S2	322.065713	NA	MeJP	NA	NA
+MJ033544	N-?-Glutamylcysteine; L-L-form, S-(2-Propenylthio) 	C11H18N2O5S2	322.065713	NA	MeJP	NA	NA
+FL63GCNS0001	Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol	C15H14O8	322.06886	848154-70-1	knapsack	NA	NA
+FL6DAGNS0001	Gallocatechin-4beta-ol	C15H14O8	322.06886	89819-67-6	knapsack	NA	NA
+MJ033545	Leucodelphinidin 	C15H14O8	322.068867	NA	MeJP	NA	NA
+MJ033546	3,3',4,4',5,5',7-Heptahydroxyflavan 	C15H14O8	322.068867	NA	MeJP	NA	NA
+MJ033547	Altenuic acid I 	C15H14O8	322.068867	NA	MeJP	NA	NA
+MJ033548	Fulvic acid; 7-Me ether 	C15H14O8	322.068867	NA	MeJP	NA	NA
+MJ033549	Lomastilone 	C15H14O8	322.068867	NA	MeJP	NA	NA
+MetaCyc02843	leucodelphinidin [leucoefdin;leucodelfinidin;]	C15H14O8	322.068867	NA	metacyc	NA	NA
+C05909	Leucodelphinidin	C15H14O8	322.0689	NA	KEGG	NA	NA
+MJ033550	Sulfalene; N-Ac 	C13H14N4O4S	322.073575	NA	MeJP	NA	NA
+MJ033551	Sulfamethoxypyridazine; N'-Ac 	C13H14N4O4S	322.073575	NA	MeJP	NA	NA
+MetaCyc02844	3-hydroxy-2-oxindole-3-acetyl-asp [3-hydroxy-2-oxindole-3-acetyl-aspartic acid;3-hydroxy-2-indolone-3-acetyl-aspartic acid;]	C14H14N2O7	322.080101	NA	metacyc	NA	NA
+C12374	Decarboxytetracenomycin F1	C19H14O5	322.0841	NA	KEGG	NA	NA
+C12396	Tetrangomycin	C19H14O5	322.0841	NA	KEGG	NA	NA
+FL1C1CNF0001	Ovalitenin C	C19H14O5	322.08412	75680-32-9	knapsack	NA	NA
+FL3F18NF0002	Millettocalyxin C;2-(2,5-Dimethoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	C19H14O5	322.08412	422308-57-4	knapsack	NA	NA
+FL5F1ANF0001	3,4'-Dimethoxyfurano[2,3:7,8]flavone	C19H14O5	322.08412	70894-16-5	knapsack	NA	NA
+MJ033552	1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 10-Me ether 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033553	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3'-Hydroxy, 1-ketone 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033554	3,5,6-Trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one; 5-Demethoxy 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033555	3-Methoxy-2-(4-methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033556	5,5-Dimethyl-11-oxo-5H,11H-[2]benzopyrano[4,3-g][1]benzopyran-9-carboxylic acid 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033557	Antibiotic SF 2609; Antibiotic SF 2609A 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033558	Emycin B 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033559	Fujianmycin A 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033560	Kinafluorenone 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033561	Ovalitenin C 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033562	Pulvinic acid; Me ester 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033563	Rabelomycin; 3-Deoxy 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033564	Tetracenomycin D; 5-Deoxo 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033565	Tetrangomycin 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033566	Viridin; 2-Demethoxy 	C19H14O5	322.084123	NA	MeJP	NA	NA
+MJ033567	Lepidimoic acid 	C12H18O10	322.089996	NA	MeJP	NA	NA
+MJ033568	?-Amino-5-(1,1-dimethylethyl)-3-(phosphonomethoxy)-4-isoxazolepropanoic acid 	C11H19N2O7P	322.092987	NA	MeJP	NA	NA
+PJ000304	SCN 	C10H18N4O6S	322.0947	NA	PeJP	NA	NA
+MJ033569	Bipolaramide 	C18H14N2O4	322.095356	NA	MeJP	NA	NA
+MJ033570	Flazin; Me ester 	C18H14N2O4	322.095356	NA	MeJP	NA	NA
+MJ033571	Imbiline 1; 10-Methoxy 	C18H14N2O4	322.095356	NA	MeJP	NA	NA
+MJ033572	Imbiline 1; 9-Methoxy 	C18H14N2O4	322.095356	NA	MeJP	NA	NA
+MJ033573	Telikovinone 	C18H14N2O4	322.095356	NA	MeJP	NA	NA
+MJ033574	Strobilurin A; 3'-Methoxy, 4'-chloro 	C17H19ClO4	322.097186	NA	MeJP	NA	NA
+MJ033575	1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine; Me ether 	C15H18N2O4S	322.098727	NA	MeJP	NA	NA
+MJ033576	1,2-Dihydro-1-hydroxy-2-(1,2,3-trihydroxy-3-methylbutyl)-8H-furo[2,3h]-1-benzopyran-8-one 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033577	4-Hydroxy-5,6-undecadiene-8,10-diynoic acid, O-?-D-Xylopyranoside 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033578	Curvularin, 11?-Hydroxy, 12-oxo 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033579	Fusarubin; 4a?,10a?-Dihydro, 3-Me ether 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033580	Luisol A 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033581	Purpurenol 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033582	Rehmaglutin A; 7-Deoxy, 3?-hydroxy, 6-O-(4-hydroxybenzoyl) 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033583	Rehmaglutin A; 7-Deoxy, 3?-hydroxy, 6-O-(4-hydroxybenzoyl) 	C16H18O7	322.105252	NA	MeJP	NA	NA
+MJ033584	5-[2-(4-Fluorophenyl)ethenyl]-8-methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepine 	C19H15FN2O2	322.111755	NA	MeJP	NA	NA
+MJ033585	Antibiotic 2096A 	C11H14N8O4	322.1138	NA	MeJP	NA	NA
+MJ033586	2-Chloro-5-methoxy-4-[5-(2-piperidinylmethyl)-1,2,4-oxadiazol-3-yl]benzenamine 	C15H19ClN4O2	322.119653	NA	MeJP	NA	NA
+HMDB06834	D-Pantothenoyl-L-cysteine	C12H22N2O6S	322.119843	NA	HMDB2010	NA	NA
+MJ033587	N-((R)-Pantothenoyl)-L-cysteine 	C12H22N2O6S	322.119857	NA	MeJP	NA	NA
+MetaCyc02845	N-((R)-Pantothenoyl)-L-cysteine [D-Pantothenoyl-L-cysteine;N-Pantothenoylcysteine;]	C12H22N2O6S1	322.119857	NA	metacyc	NA	NA
+MetaCyc02846	N-pantothenoyl-cysteine []	C12H22N2O6S1	322.119857	NA	metacyc	NA	NA
+HMDB06834	D-Pantothenoyl-L-cysteine	C12H22N2O6S	322.11987	http://www.hmdb.ca/metabolites/HMDB06834	HMDB	NA	NA
+HMDB06834	D-Pantothenoyl-L-cysteine	C12H22N2O6S	322.11987	HMDB06834	PFEM_hmdb_metabocards_official	NA	NA
+C04079	N-((R)-Pantothenoyl)-L-cysteine	C12H22N2O6S	322.1199	NA	KEGG	NA	NA
+C04080	N-(Long-chain-acyl)ethanolamine	C3H6NO2R	322.1199	NA	KEGG	NA	NA
+C09318	Abyssinone I	C20H18O4	322.1205	NA	KEGG	NA	NA
+C10514	(-)-Phaseollin	C20H18O4	322.1205	NA	KEGG	NA	NA
+C11324	6-(3,3-Dimethylallyl)chrysin	C20H18O4	322.1205	NA	KEGG	NA	NA
+C11325	8-(3,3-Dimethylallyl)chrysin	C20H18O4	322.1205	NA	KEGG	NA	NA
+FL1C1ANP0001	Kanzonol B	C20H18O4	322.1205	155233-19-5	knapsack	NA	NA
+FL1C1ANP0002	Isobavachromene;4-Hydroxylonchocarpin	C20H18O4	322.1205	52801-22-6<BR>56083-03-5	knapsack	NA	NA
+FL1C1ANP0005	Bavachromene	C20H18O4	322.1205	41743-38-3	knapsack	NA	NA
+FL1C29NP0001	Flemichapparin A	C20H18O4	322.1205	32507-61-2<BR>30880-56-9	knapsack	NA	NA
+FL1CRTNP0002	Munsericin	C20H18O4	322.1205	158991-21-0	knapsack	NA	NA
+FL2F1ANP0001	Abyssinone I	C20H18O4	322.1205	77263-07-1	knapsack	NA	NA
+FL2F1CNP0002	4'-Hydroxyisolonchocarpin	C20H18O4	322.1205	78316-30-0	knapsack	NA	NA
+FL2FA9NP0003	Obovatin	C20H18O4	322.1205	69640-77-3	knapsack	NA	NA
+FL3F1ANI0002	Kanzonol D;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one	C20H18O4	322.1205	155233-20-8	knapsack	NA	NA
+FL3F1ANI0004	Licoflavone A;7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O4	322.1205	61153-77-3	knapsack	NA	NA
+FL3F1ANI0005	7,4'-Dihydroxy-8-prenylflavone;7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O4	322.1205	76690-67-0	knapsack	NA	NA
+FL3FA9NI0001	5,7-Dihydroxy-8-prenylflavone	C20H18O4	322.1205	34125-75-2	knapsack	NA	NA
+FL4D19NP0001	3-Hydroxyisolonchocarpin	C20H18O4	322.1205	70215-98-4	knapsack	NA	NA
+FLIA1ANI0001	Neobavaisoflavone	C20H18O4	322.1205	41060-15-5	knapsack	NA	NA
+FLIA1ANI0004	Nordurlettone;7-Hydroxy-4'-prenyloxyisoflavone	C20H18O4	322.1205	130289-25-7	knapsack	NA	NA
+FLICWXNP0001	Glabrene	C20H18O4	322.1205	60008-03-9	knapsack	NA	NA
+FLID1ANP0001	(-)-Phaseollin;Phaseolin	C20H18O4	322.1205	13401-40-6	knapsack	NA	NA
+FLID1ANP0002	Neorautenol	C20H18O4	322.1205	53766-52-2	knapsack	NA	NA
+FLID1ANP0006	Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan	C20H18O4	322.1205	998755-24-9	knapsack	NA	NA
+MJ033588	1,4-Dihydroxy-5,16-octadecadiene-8,10,12,14-tetrayn-7-one; 1-Ac 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033589	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 4'-Me ether 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033590	3,7-Dihydroxy-8-prenylflavone 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033591	3-Hydroxyisolonchocarpin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033592	4',7-Dihydroxy-3'-prenylflavone 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033593	4',7-Dihydroxy-3'-prenylisoflavone 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033594	4',7-Dihydroxy-6-prenylflavone 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033595	4',7-Dihydroxy-8-prenylflavone 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033596	4',7-Dihydroxy-8-prenylisoflavone 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033597	4',7-Dihydroxyisoflavone; 4'-O-(3-Methyl-2-butenyl) 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033598	7-Hydroxy-(4-hydroxyphenyl)-6-prenylcoumarin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033599	Abyssinone I 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033600	Bavachromene 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033601	Cyclocoumarol 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033602	Erystagallin C; 3'-Deoxy, 3',4'-didehydro 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033603	Eupomatenoid 3; 7-Methoxy 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033604	Flemichapparin A 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033605	Glabrene 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033606	Isobavachromene 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033607	Isolonchocarpin, 4'-Hydroxy 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033608	Isoneorautenol 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033609	Kanzonol B 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033610	Munsericin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033611	Neorautenol 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033612	Obovatin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033613	Phaseollin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033614	Radulanolide 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033615	Rubiginone A1; 4-Deoxy 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033616	Shinpterocarpin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033617	Terphenyllin; 4-Deoxy 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MJ033618	Vermilutin 	C20H18O4	322.120509	NA	MeJP	NA	NA
+MetaCyc02847	(-)-phaseollin []	C20H18O4	322.120509	NA	metacyc	NA	NA
+MJ033619	Finrozole 	C18H15FN4O	322.122989	NA	MeJP	NA	NA
+MJ033620	Furodysinin lactone; 14-(Acetylthio) 	C17H22O4S	322.123879	NA	MeJP	NA	NA
+MJ033621	3,6-Dibenzyl-2,5-dihydroxypyrazine; 2-Me ether, N4-oxide 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033622	3-[2-(Cinnamoylamino)ethyl]-3-hydroxy-2-indolinone 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033623	5-Hydroxytryptamine; Nb-(4-Hydroxycinnamoyl)(E-) 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033624	Alangimaridine 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033625	Halfordinol; O-(3-Methyl-2-oxobutyl) 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033626	Kebuzone 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033627	Mappicine, 19-Hydroxy 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033628	Santiagonamine 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033629	Spiguetidine; Me ether 	C19H18N2O3	322.131742	NA	MeJP	NA	NA
+MJ033630	N-[4-[5-[(4-Fluorophenoxy)methyl]tetrahydro-2-furanyl]-3-butynyl]-N-hydroxyurea 	C16H19FN2O4	322.132885	NA	MeJP	NA	NA
+MJ033631	Colletorin B; 5-Chloro 	C18H23ClO3	322.133572	NA	MeJP	NA	NA
+MJ033632	Glyhexamide 	C16H22N2O3S	322.135113	NA	MeJP	NA	NA
+MJ033633	Avenic acid A 	C12H22N2O8	322.137615	NA	MeJP	NA	NA
+MJ033634	Lysine, N2-Galacturonopyranoside 	C12H22N2O8	322.137615	NA	MeJP	NA	NA
+MJ033635	Lysine, N6-D-Galacturonopyranoside 	C12H22N2O8	322.137615	NA	MeJP	NA	NA
+C09559	Tetraneurin A	C17H22O6	322.1416	NA	KEGG	NA	NA
+C09568	epi-Tulipinolide diepoxide	C17H22O6	322.1416	NA	KEGG	NA	NA
+MJ033636	1,10-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033637	1,10-Epoxy-6,15-dihydroxy-4,11(13)-germacradien-12,8-olide, 15-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033638	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 14-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033639	1,10-Epoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide, 15-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033640	1,10:4,5-Diepoxy-8-hydroxy-11(13)-germacren-12,6-olide, Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033641	1,11-Dihydroxy-3-oxo-4-eudesmen-12,6-olide, 1-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033642	1,15-Dihydroxy-9,11(13)-germacradiene-12,6:14,8-diolide, O1-Et 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033643	1,3,13-Trihydroxy-4(15),7(11)-eudesmadien-12,6-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033644	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033645	1,3,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033646	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033647	1,3,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033648	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033649	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 15-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033650	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033651	1,6,10-Trihydroxy-7(11),8-eremophiladien-12,8-olide, 6-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033652	1,6-Dihydroxy-8-oxo-7(11),9-eremophiladien-12-oic acid, 1-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033653	1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 15-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033654	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 3?,4?-Epoxide, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033655	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033656	1-(2,3,4,5-Tetrahydroxyphenyl)-1-propanol; 2',3'-Methylene, 4',5'-di-Me ether, 1-O-angeloyl 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033657	11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 11-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033658	11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 13-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033659	2,10-Dihydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form, 2-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033660	2,3-Epoxy-4,6-dihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033661	2,5-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 5-Hydroperoxide, 2-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033662	2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 2-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033663	2-Methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone; 4''-Acetoxy 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033664	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033665	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033666	3,15-Dihydroxy-4,11(13)-eudesmadien-12,8-olide; 3?-form, 3-Hydroperoxide, 15-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033667	3,4,5,6,7,8-Hexahydro-7,12,14-trihydroxy-3-methyl-1H-2-benzoxacyclodecin-1,9(10H)-dione; 7-Me ether 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033668	3,4,8-Trihydroxy-1,9-guaiadien-12,6-olide, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033669	3,4-Epoxy-2,6-dihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033670	3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033671	3,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 1?,10?-Epoxide, 3-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033672	3,9,10-Trihydroxy-4,11(13)-guaiadien-12,6-olide, 9-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033673	4,15-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 4-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033674	4,6-Dihydroxy-9,11(13)-guaiadien-12,8-olide, 9?,10?-Epoxide, 6-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033675	4,9,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033676	5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 2'-Hydroxy, 5,7-di-Me ether 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033677	6,11-Epoxy-4-hydroxy-5,10-pinguisadiene-12,15-dioic acid; 4?-form, Di-Me ester 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033678	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 4?,5?-Epoxide, 14-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033679	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 1R,10S-Epoxide, 15-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033680	7(6?5)-Abeo-2,7:10,11-diepoxy-3-hydroxy-6,11-pingiusanolide, Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033681	7,8-Epoxy-6-hydroxy-1-oxo-12,8-eremophilanolide, Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033682	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-Et ether 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033683	8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 4?,5?-Epoxide, 13-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033684	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033685	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 14-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033686	8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033687	8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 9-Ac 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033688	Cochliospicin A 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033689	Curvularin, 11?-Methoxy 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033690	Cyclospinosolide 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033691	Eremofortin C 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033692	Mexoticin, 3'-Me ether 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033693	Neovasinone 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033694	Secomacrotolide; 6?-Acetoxy 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033695	Toddalolactone; 3'-Me ether 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033696	p-Mentha-1,3,5,8-tetraene-2,5,9,10-tetrol; 10-(2-Methylpropanoyl), 9-Ac, 2-Me ether 	C17H22O6	322.141638	NA	MeJP	NA	NA
+MJ033697	Pumitepa 	C12H19N8OP	322.141943	NA	MeJP	NA	NA
+MJ033698	Benzapyrin 	C18H18N4O2	322.142975	NA	MeJP	NA	NA
+MJ033699	Mesocarb 	C18H18N4O2	322.142975	NA	MeJP	NA	NA
+MJ033700	Methylniphenazine 	C18H18N4O2	322.142975	NA	MeJP	NA	NA
+MJ033701	Bisaramil 	C17H23ClN2O2	322.144805	NA	MeJP	NA	NA
+MJ033702	Mequitazine 	C20H22N2S	322.150369	NA	MeJP	NA	NA
+C12755	Mequitazine	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12757	Transferred to D01325	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12758	Transferred to D01326	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12759	Transferred to D01327	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12760	Transferred to D01328	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12761	Transferred to D01329	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12762	Transferred to D01330	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12763	Transferred to D01331	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12764	Transferred to D01332	C20H22N2S	322.1504	NA	KEGG	NA	NA
+C12765	Transferred to D01333	C20H22N2S	322.1504	NA	KEGG	NA	NA
+CJneg0524	Octanoylglucuronide [(M-H)]- (18O)	C14H23O718O	322.151925	C18rt(min)=8.06 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0524	Octanoylglucuronide [(M-H)]- (18O)	C14H23O718O	322.151925	C18rt(min)=8.06 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ033703	Butilfenin 	C16H22N2O5	322.152871	NA	MeJP	NA	NA
+MJ033704	Etifenin 	C16H22N2O5	322.152871	NA	MeJP	NA	NA
+MJ033705	N-Tyrosylvaline; O-Ac 	C16H22N2O5	322.152871	NA	MeJP	NA	NA
+MJ033706	Terezine B 	C16H22N2O5	322.152871	NA	MeJP	NA	NA
+MJ033707	1,15-Diisothiocyanato-1,14-pentadecadiene 	C17H26N2S2	322.15374	NA	MeJP	NA	NA
+FL1C19NI0003	Derricin	C21H22O3	322.15689	38965-77-4	knapsack	NA	NA
+FL2F19NI0005	Isoderricin A	C21H22O3	322.15689	38965-75-2	knapsack	NA	NA
+MJ033708	2',4'-Dihydroxy-3'-prenylchalcone; 4'-Me ether 	C21H22O3	322.156894	NA	MeJP	NA	NA
+MJ033709	7-Hydroxy-8-prenylflavanone, Me ether 	C21H22O3	322.156894	NA	MeJP	NA	NA
+MJ033710	7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran, Di-Me ether 	C21H22O3	322.156894	NA	MeJP	NA	NA
+MJ033711	Asnipyrone A 	C21H22O3	322.156894	NA	MeJP	NA	NA
+MJ033712	Lonchocarpene 	C21H22O3	322.156894	NA	MeJP	NA	NA
+MJ033713	Pterosin B, O-Benzoyl 	C21H22O3	322.156894	NA	MeJP	NA	NA
+MJ033714	1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-O-?-D-Glucopyranoside 	C14H26O8	322.162767	NA	MeJP	NA	NA
+MJ033715	1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-?-D-Glucopyranoside 	C14H26O8	322.162767	NA	MeJP	NA	NA
+MJ033716	3-Hydroxybutanoic acid, Butyl ester, O-?-D-glucopyranoside 	C14H26O8	322.162767	NA	MeJP	NA	NA
+MJ033717	Marsectobiose 	C14H26O8	322.162767	NA	MeJP	NA	NA
+MJ033718	Pachybiose 	C14H26O8	322.162767	NA	MeJP	NA	NA
+MJ033719	Monamidocin 	C15H22N4O4	322.164105	NA	MeJP	NA	NA
+C09025	Akuammicine	C20H22N2O2	322.1681	NA	KEGG	NA	NA
+C09207	Gelsemine	C20H22N2O2	322.1681	NA	KEGG	NA	NA
+C12072	Gardneral	C20H22N2O2	322.1681	NA	KEGG	NA	NA
+C16728	Quinidinone	C20H22N2O2	322.1681	NA	KEGG	NA	NA
+C16729	Thyroglobulin L-thyroxine	C16H10I4N2O4R2	322.1681	NA	KEGG	NA	NA
+C16730	Thyroglobulin triiodothyronine	C16H11I3N2O4R2	322.1681	NA	KEGG	NA	NA
+C16731	Thyroglobulin 3,5-diiodotyrosine	C10H8I2N2O3R2	322.1681	NA	KEGG	NA	NA
+C16732	Thyroglobulin 3-Iodotyrosine	C10H9IN2O3R2	322.1681	NA	KEGG	NA	NA
+C16733	Thyroglobulin L-tyrosine	C10H10N2O3R2	322.1681	NA	KEGG	NA	NA
+C16734	Thyroglobulin aminoacrylate	C4H4N2O2R2	322.1681	NA	KEGG	NA	NA
+MJ033720	(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethylamine; N-(3-Pyridinecarbonyl), N-Me 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033721	1-Azabicyclo[2.2.2]oct-4-yl [1,1'-biphenyl]-2-ylcarbamate 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033722	Akuammicine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033723	Aspidofractinine, 14,15-Didehydro, 12-hydroxy, N1-formyl 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033724	Borrecoxine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033725	Caracurine VII; Deoxy, Na-formyl 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033726	Condylocarpine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033727	Decarbomethoxyapocuanzine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033728	Gardnutine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033729	Gelsemine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033730	Haplamidine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033731	Isoschizogaline 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033732	Kopsanol; 22-Epimer, 10-oxo 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033733	Kopsine, Decarbomethoxy 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033734	Koumine, Nb-Oxide(S-) 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033735	Metoxepin 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033736	Nor-C-fluorocurarine, 10-Methoxy 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033737	Pagicerine; De(methoxycarbonyl) 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033738	Panarine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033739	Pericyclivine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033740	Pleiocarpamine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033741	Purpeline; N-De-Me 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033742	Purpeline; O-De-Me 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033743	Quinidine; Ketone 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033744	Rauflorine; 10-Methoxy 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033745	Rhazinal 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033746	Schizogaline 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033747	Strictamine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033748	Strychnopivotine 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033749	Vellosimine; 10-Methoxy 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033750	Vincanidine; Me ether 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033751	Vomilenine; Deoxy, 12-methoxy, O-de-Ac 	C20H22N2O2	322.168127	NA	MeJP	NA	NA
+MJ033752	10-Methoxydihydrocorynantheol; 3,4,5,6,18,19-Hexadehydro 	C20H23N2O2(+)	322.168127	NA	MeJP	NA	NA
+MJ033753	Macrophylline A 	C20H23N2O2(+)	322.168127	NA	MeJP	NA	NA
+MJ033754	Clostebol 	C19H27ClO2	322.169957	NA	MeJP	NA	NA
+C15004	16beta-Chloro-17beta-hydroxyandrost-4-en-3-one	C19H27ClO2	322.17	NA	KEGG	NA	NA
+C15024	19-Chloro-17beta-hydroxyandrost-4-en-3-one	C19H27ClO2	322.17	NA	KEGG	NA	NA
+MJ033755	Dioxadet 	C14H22N6O3	322.175338	NA	MeJP	NA	NA
+3805	ileum contracting peptide	YPLPR	322.176	MH2+	Inhouse_peptide	NA	peptide
+C14752	alpha-Zearalanol	C18H26O5	322.178	NA	KEGG	NA	NA
+C14753	beta-Zearalanol	C18H26O5	322.178	NA	KEGG	NA	NA
+MJ033756	1,3-Dihydroxy-4-eudesmen-12,6-olide, 3-Propanoyl 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033757	2-(3,4-Dihydroxyphenyl)tetrahydro-4-hydroxy-6-pentyl-2H-pyran, 4-Ac 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033758	8-Oxo-2,4,6-hexadecatrienedioic acid, 1-Et ester 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033759	Barbacenic acid 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033760	Botryenalol; 15-Carboxylic acid, Me ester 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033761	Colletochlorin A, Dechloro 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033762	Evodione; 1'-Alcohol, Et ether 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033763	Ovalimethoxy I; 10?,11?-Epoxide 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033764	Ovalimethoxy I; 3-Epimer, 10?,11?-epoxide 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033765	Tomentellin; 2',3',6',7'-Tetrahydro, O3-de-Me 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033766	Trisporic acid E 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033767	Zearalanol 	C18H26O5	322.178023	NA	MeJP	NA	NA
+MJ033768	Cianergoline 	C19H22N4O	322.179361	NA	MeJP	NA	NA
+C01441	Neamine	C12H26N4O6	322.1852	NA	KEGG	NA	NA
+C01442	Nigeran	C12H26N4O6	322.1852	NA	KEGG	NA	NA
+MJ033769	Neomycin A 	C12H26N4O6	322.185234	NA	MeJP	NA	NA
+C15164	12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one	C19H27FO3	322.1944	NA	KEGG	NA	NA
+MJ033770	Aspidofractinine, 14,15-Didehydro, 12-methoxy, N1-Me 	C21H26N2O	322.204513	NA	MeJP	NA	NA
+MJ033771	Fenpipramide 	C21H26N2O	322.204513	NA	MeJP	NA	NA
+MJ033772	N-[1-Phenyl-3-(1-piperidinyl)propyl]benzamide 	C21H26N2O	322.204513	NA	MeJP	NA	NA
+MJ033773	Tolnapersine 	C21H26N2O	322.204513	NA	MeJP	NA	NA
+MJ033774	Tombozine; Me ether, N4-Me 	C21H27N2O(+)	322.204513	NA	MeJP	NA	NA
+C10399	Rapanone	C19H30O4	322.2144	NA	KEGG	NA	NA
+C15494	Decylubiquinone	C19H30O4	322.2144	NA	KEGG	NA	NA
+C17495	(8)-Gingerol	C19H30O4	322.2144	NA	KEGG	NA	NA
+MJ033775	15,16-Dihydroxy-19-nor-4-rosen-3-one, 6?-Hydroxy 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033776	15-Hydroxy-16-nor-14-oxo-8(17)-labden-19-oic acid 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033777	16,17-Dihydroxy-19-nor-18-kauranoic acid 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033778	16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid, Me ester 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033779	2,5-Dihydroxy-3-tridecyl-1,4-benzoquinone 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033780	2,6,10-Farnesatriene-1,12-diol; Di-Ac 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033781	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2-Methylpropanoyl) 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033782	3,5-Dihydro-3-hydroxymonacolin L 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033783	3-Hydroxy-17-nor-8-oxo-13-labden-15-oic acid 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033784	3-Hydroxy-4(15)-eudesmen-12-oic acid, Methylpropanoyl 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033785	3-[(7-Hydroxy-1-hexadecene-3,5-diynyl)oxy]-1,2-propanediol 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033786	4,6-Dihydroxy-8-daucen-10-one, 6-(2-Methylpropanoyl) 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033787	5-Tridecyl-1,3-benzenediol; 8'-Oxo, 2'R-hydroxy 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033788	8,16-Dihydroxy-17-nor-6,13-labdadien-15-oic acid 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033789	8-Hydroxy-15-nor-14-oxo-13(16)-labden-19-oic acid; 8?-form 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033790	8-Methyl-1'-oxonorpodopyrone 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033791	9,13-Epoxy-4-hydroxy-18-nor-7-labden-15-oic acid 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033792	Podopyrone; 1'-Oxo 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033793	Podopyrone; 10'-Oxo 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033794	Podopyrone; 9'-Oxo 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033795	[8]-Gingerol 	C19H30O4	322.214409	NA	MeJP	NA	NA
+MJ033796	Chinese bittersweet alkaloid II 	C18H30N2O3	322.225642	NA	MeJP	NA	NA
+MJ033797	Aprindine 	C22H30N2	322.240898	NA	MeJP	NA	NA
+HMDB05045	15S-hydroxyeicosatrienoic acid	C20H34O3	322.25079	http://www.hmdb.ca/metabolites/HMDB05045	HMDB	NA	NA
+HMDB05045	15S-hydroxyeicosatrienoic acid	C20H34O3	322.25079	HMDB05045	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05045	15(S)-Hydroxyeicosatrienoic acid	C20H34O3	322.250793	NA	HMDB2010	NA	NA
+MJ033798	1,12-Epoxy-2,7,15-cembratriene-4,11-diol; 15,16-Dihydro 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033799	1,12-Epoxy-3,7-cembradien-11-ol, 3,4-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033800	1,12:8,11-Diepoxy-3-cembren-7-ol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033801	1,6,10,14-Phytatetraene-3,5,13-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033802	1,6,10,14-Phytatetraene-3,5,9-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033803	1,6,10-Farnesatriene-3,9-diol; 9-(2-Methylbutanoyl) 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033804	1,6,10-Farnesatriene-3,9-diol; 9-(3-Methylbutanoyl) 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033805	10(18),14-Pachydictyadiene-3,4,6-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033806	11,12-Dihydroxy-1,3-cembradien-7-one 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033807	11,12-Epoxy-2,7-cembradiene-4,6-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033808	11,15,16-Devadaranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033809	12,14-Labdadiene-6,7,8-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033810	12,14-Labdadiene-6,8,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033811	12,16,19-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033812	12-Hydroxy-8(17)-labden-19-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033813	13(16),14-Labdadiene-6,8,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033814	13,17-Epidioxy-3-sphenoloben-18-ol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033815	13-Hydroxy-18-abietanoic acid; 13?-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033816	13-Hydroxy-3-cleroden-15-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033817	13-Hydroxy-8,9-seco-14-labdene-8,9-dione 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033818	13-Labdene-3,8,15-triol, 3-Ketone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033819	13-Labdene-8,15,18-triol, 18-Aldehyde 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033820	13-Labdene-8,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033821	13-Labdene-9,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033822	14-Hydroxy-15-nor-8(17)-labden-19-oic acid, Me ester 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033823	15,19-Dihydroxy-13-labden-7-one 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033824	15-Hydroxy-1(10)-halimen-18-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033825	15-Hydroxy-3,7,11-cembratrien-19-oic acid, 7,8-Dihydro 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033826	15-Hydroxy-8,9-seco-13-labdene-8,9-dione 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033827	15-Isopimarene-1,8,11-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033828	15-Isopimarene-1,8,12-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033829	15-Isopimarene-3,8,19-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033830	15-Isopimarene-3,8,20-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033831	15-Isopimarene-6,7,8-triol; ent-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033832	15-Isopimarene-6,8,11-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033833	15-Isopimarene-7,8,11-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033834	15-Isopimarene-7,8,14-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033835	15-Isopimarene-7,8,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033836	15-Isopimarene-8,12,19-triol; 12?-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033837	15-Pimarene-9,17,18-triol; 9?-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033838	15-Rosene-3,5,19-triol; 3?-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033839	16,17,18-Aphidicolanetriol; 16?-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033840	16,17,18-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033841	16,17,19-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033842	17-Hydroxy-3-cleroden-15-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033843	2,16,17-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033844	2,16,18-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033845	2,6,10,14-Phytatetraene-1,12,19-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033846	2,6,10,14-Phytatetraene-1,12-diol, 18-Hydroxy 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033847	2,6,10,14-Phytatetraene-1,17,20-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033848	2,6,10,14-Phytatetraene-1,18,19-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033849	2,6,10,14-Phytatetraene-1,20-diol, 6?,7?-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033850	2,6,10,14-Phytatetraene-1,5,13-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033851	2,6,10-Cembratriene-4,8,12-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033852	2,6,12(20)-Cembratriene-4,8,11-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033853	2,6,16-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033854	2,6-Dolabelladiene-8,10,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033855	2,7,10-Cembratriene-4,6,12-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033856	2,7,11-Cembratriene-1,4,14-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033857	2,7,11-Cembratriene-4,6,10-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033858	2,7,11-Cembratriene-4,6,13-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033859	2,7,11-Cembratriene-4,6,20-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033860	2,7,12(20)-Cembratriene-4,6,11-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033861	2,7-Dolabelladiene-10,18-diol, 7?,8?-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033862	2,7-Dolabelladiene-6,10,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033863	2,9,13-Verrucosanetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033864	2-Hydroxy-3-cleroden-15-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033865	3,11-Dihydroxy-15-cembren-6-one, 11-Ketone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033866	3,13,16-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033867	3,13-Clerodadiene-15,16,17-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033868	3,13-Clerodadiene-15,16,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033869	3,14-Clerodadiene-2,13-diol, 2-Hydroperoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033870	3,15-Dihydroxy-1,6,13-phytatrien-12-one 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033871	3,16,17-Atisanetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033872	3,16,17-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033873	3,17,19-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033874	3,4-Dihydroxy-13-cleroden-15-al 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033875	3,4-Dimethyl-5-pentyl-2-furannonanoic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033876	3,4-Dimethyl-5-propyl-2-furanundecanoic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033877	3,4-Epoxy-13-clerodene-2,15-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033878	3,4-Seco-2-verrucosene-5,6,8-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033879	3,7,11-Cembratriene-2,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033880	3,7-Dolabelladiene-2,16,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033881	3,9,16-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033882	3-Cleroden-15-oic acid, 3?,4?-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033883	3-Clerodene-15,18-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033884	3-Erythroxylene-7,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033885	3-Hydroxy-5-halimen-15-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033886	3-Viscidene-5,16-diol; 16-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033887	4(18),8(19)-Xeniaphylladiene-5,14,15-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033888	4(18)-Cleroden-15-oic acid, 4?,18-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033889	4(18)-Cleroden-15-oic acid, 4?,18-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033890	4(18)-Erythroxylene-11,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033891	4(18)-Erythroxylene-7,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033892	4,15,16-Trihydroxy-4,5-seco-5-rosanone, 4-Deoxy, 4,18-didehydro 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033893	4,8(19)-Xeniaphylladiene-14,15-diol; 4?,5?-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033894	4-Hydroxy-13-cleroden-15-oic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033895	4-Hydroxy-6-pentadecyl-2H-pyran-2-one 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033896	5,15,16-Rosanetriol, 15-Ketone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033897	5,8-Dihydroxy-13-labden-12-one 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033898	5-Halimene-15,18-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033899	5-Halimene-15,18-diol, 18-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033900	5-Rosene-11,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033901	5-Rosene-15,16,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033902	5-Rosene-15,16,19-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033903	5-Tridecyl-1,3-benzenediol; 10'R-Hydroxy, 3-Me ether 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033904	5-Tridecyl-1,3-benzenediol; 11'S-Methoxy 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033905	5-Tridecyl-1,3-benzenediol; 12'S-Methoxy 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033906	5-Tridecyl-1,3-benzenediol; 13'-Hydroxy, 3-Me ether 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033907	5-Tridecyl-1,3-benzenediol; 2'R-Hydroxy, 3-Me ether 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033908	6,16,17-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033909	7,11-Epoxy-1,3-cembradiene-8,12-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033910	7,13-Dihydroxy-14-cleroden-2-one 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033911	7,13-Labdadiene-15,16,17-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033912	7,13-Labdadiene-2,3,15-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033913	7,14-Labdadiene-2,13,20-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033914	7,14-Labdadiene-2,3,13-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033915	7,16,17-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033916	7,16,18-Kauranetriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033917	7,8-Epoxy-2,11-cembradiene-4,6-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033918	7,8-Epoxy-3-dolabellene-9,12-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033919	7-Isopimarene-3,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033920	7-Isopimarene-9,15,16-triol; 9?-form 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033921	7-Labdene-15,17-diol, 17-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033922	7-Labdene-15,18-dioic acid; 13?-form, 18-Alcohol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033923	7-Labdene-2,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033924	7-Labdene-3,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033925	7-Pimarene-2,15,16,18-tetrol, 18-Deoxy 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033926	7-Pimarene-3,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033927	8(14)-Abietene-7,18-diol, 8?,14?-Epoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033928	8(14)-Pimarene-1,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033929	8(14)-Pimarene-2,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033930	8(14)-Pimarene-3,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033931	8(17),13-Labdadiene-15,16,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033932	8(17),13-Labdadiene-3,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033933	8(17),13-Labdadiene-7,15,19-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033934	8(17)-Labdene-15,18-diol, 18-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033935	8(17)-Labdene-15,18-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033936	8(17)-Labdene-15,18-diol, 18-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033937	8(17)-Labdene-15,18-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033938	8(17)-Labdene-15,18-diol, 18-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033939	8(17)-Labdene-15,19-diol, 19-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033940	8(17)-Labdene-2,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033941	8(17)-Labdene-3,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033942	8(17)-Labdene-6,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033943	8(17)-Labdene-7,15-diol, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033944	8,10,13(15)-Lobatriene-14,17,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033945	8,10,13(15)-Lobatriene-16,17,18-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033946	8,11-Epoxy-1,3-cembradiene-7,12-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033947	8,11-Epoxy-2,6-cembradiene-4,12-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033948	8,12-Epoxy-13-labden-1-ol, 11?-Hydroxy 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033949	8,12-Epoxy-13-labden-1-ol, 6?-Hydroxy 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033950	8,12-Epoxy-13-labdene-15,16-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033951	8,13-Epoxy-14-labdene-1,18-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033952	8,13-Epoxy-14-labdene-1,5-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033953	8,13-Epoxy-14-labdene-16,18-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033954	8,13-Epoxy-14-labdene-2,3-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033955	8,13-Epoxy-14-labdene-3,12-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033956	8,13-Epoxy-15-labdanal, 15-Carboxylic acid 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033957	8,13-Epoxy-9(11)-labdene-14,15-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033958	8,13:14,15-Diepoxy-16-labdanol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033959	8,13:14,15-Diepoxy-3-labdanol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033960	8,15-Dihydroxy-13-labden-19-al 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033961	8-Daucene-4,6-diol, 6-(2-Methylbutanoyl) 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033962	8-Daucene-4,6-diol, 6-(3-Methylbutanoyl) 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033963	8-Labdene-3,7,15-triol, 7-Ketone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033964	8-Methylpodopyrone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033965	8-Pimarene-3,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033966	9(11),14-Labdadiene-8,13-diol, 8-Hydroperoxide 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033967	9,10-Seco-8,10(20),13-labdatriene-11,15,16-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033968	9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033969	9,13-Epoxy-14-labdene-6,19-diol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033970	Aplykurodin A 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033971	Cyclooctatin 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033972	Dictyriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033973	Gypopinifolone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033974	Hydratoxeniolone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033975	Infuscadiol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033976	Maristeminol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033977	Mugipolasol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033978	Pachytriol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033979	Plakortone D 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033980	Sarcotol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033981	Secoinfuscadione 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033982	Siphonarienfuranone 	C20H34O3	322.250794	NA	MeJP	NA	NA
+MJ033983	Vinigrol 	C20H34O3	322.250794	NA	MeJP	NA	NA
+C14970	2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol	C20H34O3	322.2508	NA	KEGG	NA	NA
+C15285	17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol	C20H34O3	322.2508	NA	KEGG	NA	NA
+MJ033984	18-Methyl-5,9-eicosadienoic acid 	C21H38O2	322.28718	NA	MeJP	NA	NA
+MJ033985	19-Methyl-5,9-eicosadienoic acid 	C21H38O2	322.28718	NA	MeJP	NA	NA
+MJ033986	3,6,9-Heneicosatriene, 6,7:9,10-Diepoxide 	C21H38O2	322.28718	NA	MeJP	NA	NA
+MJ033987	3-Hexadecyl-5-methyl-2(5H)-furanone 	C21H38O2	322.28718	NA	MeJP	NA	NA
+MJ033988	8(17)-Labdene-15,19-diol, 15-Me ether 	C21H38O2	322.28718	NA	MeJP	NA	NA
+MJ033989	8(17)-Labdene-15,19-diol, 19-Me ether 	C21H38O2	322.28718	NA	MeJP	NA	NA
+MJ033990	1-Tricosene 	C23H46	322.359951	NA	MeJP	NA	NA
+MJ033991	3-Tricosene 	C23H46	322.359951	NA	MeJP	NA	NA
+MJ033992	9-Tricosene 	C23H46	322.359951	NA	MeJP	NA	NA
+2721	erythromycin inhibitor	MVQLR	322.6757	MH2+	Inhouse_peptide	NA	peptide
+MJ033993	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide; 3,5-Dibromo 	C8H7Br2NO3	322.879268	NA	MeJP	NA	NA
+MJ033994	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3,5-Dibromo, amide 	C8H7Br2NO3	322.879268	NA	MeJP	NA	NA
+MJ033995	2,4-Dibromo-3,6-dihydroxyphenylacetic acid; Amide 	C8H7Br2NO3	322.879268	NA	MeJP	NA	NA
+MJ033996	3,5-Dibromo-1,6-dihydroxy-4-oxo-2-cyclohexene-1-acetonitrile 	C8H7Br2NO3	322.879268	NA	MeJP	NA	NA
+MJ033997	Cavernicolin 1 	C8H7Br2NO3	322.879268	NA	MeJP	NA	NA
+MJ033998	Penclomedine 	C8H6Cl5NO2	322.884116	NA	MeJP	NA	NA
+MJ033999	2,7-Dibromo-9H-carbazole 	C12H7Br2N	322.894524	NA	MeJP	NA	NA
+MJ034000	3,6-Dibromo-9H-carbazole 	C12H7Br2N	322.894524	NA	MeJP	NA	NA
+MJ034001	Pyrrolomycin C 	C11H5Cl4NO2	322.907439	NA	MeJP	NA	NA
+C00985	p-Mercuribenzoate	C7H5HgO2	322.9996	NA	KEGG	NA	NA
+MJ034002	Hymenialdisine 	C11H10BrN5O2	323.001787	NA	MeJP	NA	NA
+C14434	EPN	C14H14NO4PS	323.0381	NA	KEGG	NA	NA
+MJ034003	Keramadine 	C12H14BrN5O	323.038172	NA	MeJP	NA	NA
+C15617	Pirinixic acid	C14H14ClN3O2S	323.0495	NA	KEGG	NA	NA
+MJ034004	Pirinixic acid 	C14H14ClN3O2S	323.049525	NA	MeJP	NA	NA
+HMDB00095	Cytidine monophosphate	C9H14N3O8P	323.051849	NA	HMDB2010	NA	NA
+HMDB11692	Cytidine 2'-phosphate	C9H14N3O8P	323.051849	NA	HMDB2010	NA	NA
+HMDB00095	Cytidine monophosphate	C9H14N3O8P	323.05185	http://www.hmdb.ca/metabolites/HMDB00095	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00095	Cytidine monophosphate	C9H14N3O8P	323.05185	http://www.hmdb.ca/metabolites/HMDB00095	HMDB	NA	NA
+MJ034005	Cytidine 2'-(dihydrogen phosphate) 	C9H14N3O8P	323.05185	NA	MeJP	NA	NA
+MJ034006	Cytidine 3'-(dihydrogen phosphate) 	C9H14N3O8P	323.05185	NA	MeJP	NA	NA
+MJ034007	Cytidine 5'-(dihydrogen phosphate) 	C9H14N3O8P	323.05185	NA	MeJP	NA	NA
+HMDB00095	Cytidine monophosphate	C9H14N3O8P	323.05185	http://www.hmdb.ca/metabolites/HMDB00095	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00095	Cytidine monophosphate	C9H14N3O8P	323.05185	HMDB00095	PFEM_hmdb_metabocards_official	NA	NA
+MJ034008	3'-CMP 	C9H14N3O8P	323.051851	NA	MeJP	NA	NA
+MJ034009	CMP 	C9H14N3O8P	323.051851	NA	MeJP	NA	NA
+MetaCyc02848	CMP [5'-cytidylic acid;cytidine-5'-monophosphate;cytidylate;cytidylic acid;C;cytidine-P;cytidine-monophosphate;cytidine-phosphate;cytidine-5'-phosphate;]	C9H14N3O8P1	323.051851	63-37-6	metacyc	NA	NA
+MetaCyc02849	cytidine-3'-monophosphate [3'-cmp;cytidine 3'-phosphate;3'-cytidylic acid;]	C9H14N3O8P1	323.051851	84-52-6	metacyc	NA	NA
+MetaCyc02850	cytidine 2'-monophosphate [2'-cytidylic acid;cytidine 2'-phosphate;]	C9H14N3O8P1	323.051851	85-94-9	metacyc	NA	NA
+C00055	CMP	C9H14N3O8P	323.0519	NA	KEGG	NA	NA
+C03104	Cytidine 2'-phosphate	C9H14N3O8P	323.0519	NA	KEGG	NA	NA
+C03105	Cytochrome c L-lysine	C7H13N3O2R2	323.0519	NA	KEGG	NA	NA
+C03106	D-Galactosaminoglycan	C7H13N3O2R2	323.0519	NA	KEGG	NA	NA
+C05822	3'-CMP	C9H14N3O8P	323.0519	NA	KEGG	NA	NA
+MJ034010	Endixaprine 	C15H15Cl2N3O	323.059217	NA	MeJP	NA	NA
+MJ034011	Tambjamine A; 3'-Bromo, 1''-N-(2-methylpropyl) 	C14H18BrN3O	323.063324	NA	MeJP	NA	NA
+MJ034012	Tambjamine A; 5'-Bromo, 1''-N-(2-methylpropyl) 	C14H18BrN3O	323.063324	NA	MeJP	NA	NA
+C10959	Thenylchlor	C16H18ClNO2S	323.0747	NA	KEGG	NA	NA
+PJ000305	SCD 	C10H17N3O7S	323.0787	NA	PeJP	NA	NA
+MJ034013	1,2,10-Trihydroxy-4H-dibenzo[de,g]quinoline-4,5(6H)-dione; 1,10-Di-Me ether 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034014	1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 6,7-di-Me ether 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034015	1,2,7,9-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7,9-di-Me ether 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034016	Decumbenine B 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034017	Fissilandione; N-De-Me 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034018	Oxocularine; O6-De-Me 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034019	Oxosarcophylline 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034020	Sarcocapnidine; ?-Oxo, 1,2,3,4-tetradehydro, N-de-Me 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034021	Stealthin A 	C18H13NO5	323.079372	NA	MeJP	NA	NA
+MJ034022	Tryptathionine 	C14H17N3O4S	323.093976	NA	MeJP	NA	NA
+PJ000306	ACM 	C11H21N3O4S2	323.0974	NA	PeJP	NA	NA
+MJ034023	Glutamic acid, N-(3-Hydroxy-4-methoxycinnamoyl)(E-) 	C15H17NO7	323.100501	NA	MeJP	NA	NA
+MJ034024	Glutamic acid, N-(3-Hydroxy-4-methoxycinnamoyl)(Z-) 	C15H17NO7	323.100501	NA	MeJP	NA	NA
+MJ034025	Entadamide A, O-?-D-Glucopyranoside 	C12H21NO7S	323.103872	NA	MeJP	NA	NA
+PJ000307	SSM 	C11H21N3O6S	323.1151	NA	PeJP	NA	NA
+MJ034026	6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034027	Anolobine, Me ether, N-formyl 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034028	Anolobine, N-Ac 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034029	Anonaine, N-Methoxycarbonyl 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034030	Atalaphyllidine; N-Me 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034031	Crebanine, 6a,7-Didehydro, O9-de-Me 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034032	Eschscholtzine 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034033	Furofoline II 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034034	Guattescidine; O9-Me 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034035	Junosidine; O-De-Me 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034036	Menisporphine; 2,3-Dihydro 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034037	N-Desmethyl-1,2-dihydro-1-hydroxyacronycine; 1-Ketone 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034038	Neolitsine 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034039	Norrufescine; Me ether 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034040	Obovanine; Me ether, N-formyl 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034041	Ovigerine, N-Me 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034042	Phanostenine, 6a,7-Didehydro 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034043	Reframidine 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034044	Rutacridone; 1',2'-Epoxide 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034045	Rutacridone; 3'-Hydroxy 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034046	Stylopine 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034047	Thalphenine, Di-N-de-Me 	C19H17NO4	323.115758	NA	MeJP	NA	NA
+MJ034048	6,7-Dimethoxy-2-methyl-1-(3,4-methylenedioxyphenyl)isoquinolinium(1+) 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MJ034049	Dehydrodiscretamine 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MJ034050	Dehydroscoulerine 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MJ034051	Demethyleneberberine 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MJ034052	Gandharamine 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MJ034053	Isosevanine; O-De-Me, O3',N-di-Me 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MJ034054	Stepharanine 	C19H18NO4(+)	323.115758	NA	MeJP	NA	NA
+MetaCyc02851	S-stylopine [stylopine;6, 7, 12b, 13e-tetrahydro-4H-bis [1, 3]benzodioxolo[5, 6-a:4' , 5' -g] quinolizine;]	C19H17N1O4	323.115758	84-39-9	metacyc	NA	NA
+C05175	6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-	C19H17NO4	323.1158	NA	KEGG	NA	NA
+C10739	Rutacridone epoxide	C19H17NO4	323.1158	NA	KEGG	NA	NA
+MJ034055	Risarestat 	C16H21NO4S	323.119128	NA	MeJP	NA	NA
+MJ034056	S-Glutaryldihydrolipoamide 	C13H25NO4S2	323.122499	NA	MeJP	NA	NA
+MJ034057	Pyroglutamylhistidylglycine; L-L-form 	C13H17N5O5	323.122968	NA	MeJP	NA	NA
+MetaCyc02852	propionyl adenylate []	C13H17N5O5	323.122969	NA	metacyc	NA	NA
+C06457	Bialaphos	C11H22N3O6P	323.1246	NA	KEGG	NA	NA
+MJ034058	Cryptoechinulin C 	C18H17N3O3	323.126991	NA	MeJP	NA	NA
+MJ034059	Salicylamidophenazone 	C18H17N3O3	323.126991	NA	MeJP	NA	NA
+MJ034060	Gliclazide 	C15H21N3O3S	323.130362	NA	MeJP	NA	NA
+7881	peptide from myofibrillar protein, pork muscles	IEAEGE	323.134	MH2+	Inhouse_peptide	NA	peptide
+MJ034061	Tolciclate 	C20H21NOS	323.134384	NA	MeJP	NA	NA
+30	Myofibrillar	IEAEGE	323.135	MH2+	Inhouse_peptide	NA	peptide
+MJ034062	3-(2-Hydroxyethyl)indole; O-?-D-Galactopyranoside 	C16H21NO6	323.136887	NA	MeJP	NA	NA
+MJ034063	3-(2-Hydroxyethyl)indole; O-?-D-Glucopyranoside 	C16H21NO6	323.136887	NA	MeJP	NA	NA
+MJ034064	Acremoauxin A 	C16H21NO6	323.136887	NA	MeJP	NA	NA
+MJ034065	Dicrotaline; Ac 	C16H21NO6	323.136887	NA	MeJP	NA	NA
+C08468	Acremoauxin A	C16H21NO6	323.1369	NA	KEGG	NA	NA
+MJ034066	4-Amino-5-chloro-N-[(hexahydro-1H-pyrrolizin-1-yl)methyl]-2-methoxybenzamide 	C16H22ClN3O2	323.140054	NA	MeJP	NA	NA
+MJ034067	Renzapride 	C16H22ClN3O2	323.140054	NA	MeJP	NA	NA
+MJ034068	Zacopride, N4-Me 	C16H22ClN3O2	323.140054	NA	MeJP	NA	NA
+C08072	Naftifine hydrochloride	C21H21N	323.1441	NA	KEGG	NA	NA
+MJ034069	Cyamemazine 	C19H21N3S	323.145618	NA	MeJP	NA	NA
+MJ034070	Metiapine 	C19H21N3S	323.145618	NA	MeJP	NA	NA
+8022	synthetic peptide	PHA	323.147	antibacterial	Inhouse_peptide	NA	peptide
+PJ000308	AAY 	C15H21N3O5	323.1481	NA	PeJP	NA	NA
+C10683	Galipine	C20H21NO3	323.1521	NA	KEGG	NA	NA
+MJ034071	1-Hydroxy-3-methoxy-2-(3-methyl-2-butenyl)-10-methylacridone 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034072	4-(5-Phenylpentyl)-1H-indole-2,3-dione; 7-Methoxy 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034073	Clausine D; Carboxylic acid, Me ether, Me ester 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034074	Dimefline 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034075	Galipoline; Me ether 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034076	Glycocitrine II; O3-Me 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034077	Isothebaine, 6a,7-Didehydro, Me ether 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034078	Isouvariopsine 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034079	Koenigine; Me ether 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034080	Mepixanox 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034081	Mukonicine 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034082	Nuciferine, N-De-Me, N-Ac 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034083	Uvariopsine 	C20H21NO3	323.152143	NA	MeJP	NA	NA
+MJ034084	7-[[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]amino]heptanoic acid 	C17H25NO3S	323.155514	NA	MeJP	NA	NA
+PJ000309	APH 	C14H21N5O4	323.1594	NA	PeJP	NA	NA
+MJ034085	Isonaamine B 	C19H21N3O2	323.163376	NA	MeJP	NA	NA
+MJ034086	Naamidine D 	C19H21N3O2	323.163376	NA	MeJP	NA	NA
+MJ034087	Naamine A 	C19H21N3O2	323.163376	NA	MeJP	NA	NA
+MJ034088	Neoechinulin A 	C19H21N3O2	323.163376	NA	MeJP	NA	NA
+MJ034089	Pranolium(1+); Chloride 	C18H26ClNO2	323.165206	NA	MeJP	NA	NA
+MJ034090	Antibiotic NK 1012-2 	C12H25N3O7	323.16925	NA	MeJP	NA	NA
+MJ034091	Kanamine 	C12H25N3O7	323.16925	NA	MeJP	NA	NA
+MJ034092	Paromamine 	C12H25N3O7	323.16925	NA	MeJP	NA	NA
+C01743	Paromamine	C12H25N3O7	323.1693	NA	KEGG	NA	NA
+MJ034093	9-Methylstreptimidone; 5-Hydroxy 	C17H25NO5	323.173272	NA	MeJP	NA	NA
+MJ034094	9-Methylstreptimidone; 8,9-Epoxide 	C17H25NO5	323.173272	NA	MeJP	NA	NA
+MJ034095	Cronaburmine 	C17H25NO5	323.173272	NA	MeJP	NA	NA
+MJ034096	Crotananine 	C17H25NO5	323.173272	NA	MeJP	NA	NA
+MJ034097	Parthenolidine; 8?-Hydroxy, N-Ac 	C17H25NO5	323.173272	NA	MeJP	NA	NA
+CJneg0525	Octanoylcarnitine [(M+Cl)]-	C15H29ClNO4	323.186925	C18rt(min)=7.86 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0525	Octanoylcarnitine [(M+Cl)]-	C15H29ClNO4	323.186925	C18rt(min)=7.86 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ034098	3-(2-Phenylethyl)-?-[(propylamino)methyl]-2-benzofuranmethanol 	C21H25NO2	323.188529	NA	MeJP	NA	NA
+MJ034099	Carbazoquinocin; Carbazoquinocin D 	C21H25NO2	323.188529	NA	MeJP	NA	NA
+MJ034100	Carbazoquinocin; Carbazoquinocin E 	C21H25NO2	323.188529	NA	MeJP	NA	NA
+MJ034101	Cinnamaverine 	C21H25NO2	323.188529	NA	MeJP	NA	NA
+MJ034102	Myfadol 	C21H25NO2	323.188529	NA	MeJP	NA	NA
+MJ034103	Piperidolate 	C21H25NO2	323.188529	NA	MeJP	NA	NA
+MJ034104	Atherosperminine; N-Me 	C21H26NO2(+)	323.188529	NA	MeJP	NA	NA
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR483	Leukotriene E4 F5	NA	323.189525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR483	Leukotriene E4 F5	NA	323.189525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR483	Leukotriene E4 F5	NA	323.189525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR483	Leukotriene E4 F5	NA	323.189525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR483	Leukotriene E4 F5	F5	323.189525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ034105	Rociclovir 	C15H25N5O3	323.195739	NA	MeJP	NA	NA
+MJ034106	Lysergide 	C20H25N3O	323.199762	NA	MeJP	NA	NA
+MJ034107	Octrizole 	C20H25N3O	323.199762	NA	MeJP	NA	NA
+MJ034108	Prodigiosin 	C20H25N3O	323.199762	NA	MeJP	NA	NA
+C07542	Lysergic acid diethylamide	C20H25N3O	323.1998	NA	KEGG	NA	NA
+MJ034109	Cylindricine K 	C19H30ClNO	323.201592	NA	MeJP	NA	NA
+MJ034110	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Tigloyl, 6-O-(2-methylbutanoyl) 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+MJ034111	Bufetolol 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+MJ034112	Cicloprolol 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+MJ034113	Guaiapate 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+MJ034114	Iproxamine 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+MJ034115	Lycofawcine 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+MJ034116	N-Jasmonoylisoleucine 	C18H29NO4	323.209658	NA	MeJP	NA	NA
+C09878	Lycofawcine	C18H29NO4	323.2097	NA	KEGG	NA	NA
+MJ034117	Stravidin S3 	C17H29N3O3	323.220891	NA	MeJP	NA	NA
+MJ034118	Holadienine; 14,15-Didehydro 	C22H29NO	323.224914	NA	MeJP	NA	NA
+MJ034119	18-Isothiocyanato-17-octadecenal 	C19H33NOS	323.228285	NA	MeJP	NA	NA
+MJ034120	Melochinine 	C19H33NO3	323.246043	NA	MeJP	NA	NA
+MJ034121	Melophlin B 	C19H33NO3	323.246043	NA	MeJP	NA	NA
+MJ034122	Pumiliotoxin A, 7'S-Hydroxy 	C19H33NO3	323.246043	NA	MeJP	NA	NA
+MJ034123	Pumiliotoxin A, 7?-Hydroxy 	C19H33NO3	323.246043	NA	MeJP	NA	NA
+MJ034124	2-Aminoethanol; N-(9Z,12Z-Octadecadienoyl) 	C20H37NO2	323.282429	NA	MeJP	NA	NA
+HMDB12252	Linoleoyl ethanolamide	C20H37NO2	323.28244	NA	HMDB2010	NA	NA
+MJ034125	Pyrrolidine; N-(14?-Methylhexadecanoyl) 	C21H41NO	323.318814	NA	MeJP	NA	NA
+MJ034126	Motuporamine C 	C20H41N3	323.330048	NA	MeJP	NA	NA
+MJ034127	2,3-Diiodo-2-propenoic acid 	C3H2I2O2	323.814416	NA	MeJP	NA	NA
+MJ034128	3,3-Diiodo-2-propenoic acid 	C3H2I2O2	323.814416	NA	MeJP	NA	NA
+MJ034129	2,6-Dibromo-3,5-dihydroxybenzeneacetic acid 	C8H6Br2O4	323.863283	NA	MeJP	NA	NA
+MJ034130	2,6-Dibromo-3,5-dimethoxy-1,4-benzoquinone 	C8H6Br2O4	323.863283	NA	MeJP	NA	NA
+C14365	2,3,3',4,5-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+C14366	2,3,4,5,6-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+C14573	3,3',4,4',5-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+C18116	2,3,4,3',4'-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+C18117	2,3,4,4',5-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+C18118	2,3',4,4',5-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+C18119	2,3',4,4',5'-Pentachlorobiphenyl	C12H5Cl5	323.8834	NA	KEGG	NA	NA
+MJ034131	2,4-Dibromo-1,3,5-benzenetriol; Tri-Me ether 	C9H10Br2O3	323.899669	NA	MeJP	NA	NA
+MJ034132	3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1,2-Di-Me ether 	C9H10Br2O3	323.899669	NA	MeJP	NA	NA
+MJ034133	4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone, 1'-Deiodo, 1'-bromo 	C9H10Br2O3	323.899669	NA	MeJP	NA	NA
+C14869	Trichloroethanol glucuronide	C8H11Cl3O7	323.957	NA	KEGG	NA	NA
+MJ034134	Axinohydantoin 	C11H9BrN4O3	323.985802	NA	MeJP	NA	NA
+MJ034135	5,7-Dichloro-2,8-dihydroxy-1,3-dimethylxanthone 	C15H10Cl2O4	323.995614	NA	MeJP	NA	NA
+HMDB01058	Fructose 1,6-bisphosphate	C6H14O11P2	324.001129	NA	HMDB2010	NA	NA
+HMDB01058	Fructose 1,6-bisphosphate	C6H14O11P2	324.00113	http://www.hmdb.ca/metabolites/HMDB01058	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01058	Fructose 1,6-bisphosphate	C6H14O11P2	324.00113	http://www.hmdb.ca/metabolites/HMDB01058	HMDB	NA	NA
+HMDB01058	Fructose 1,6-bisphosphate	C6H14O11P2	324.00113	http://www.hmdb.ca/metabolites/HMDB01058	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01058	Fructose 1,6-bisphosphate	C6H14O11P2	324.00113	HMDB01058	PFEM_hmdb_metabocards_official	NA	NA
+MJ034136	Dehydrogliotoxin 	C13H12N2O4S2	324.023848	NA	MeJP	NA	NA
+C01269	5-O-(1-Carboxyvinyl)-3-phosphoshikimate	C10H13O10P	324.0246	NA	KEGG	NA	NA
+MJ034137	5-O-(1-Carboxyvinyl)-3-phosphoshikimate 	C10H13O10P	324.024633	NA	MeJP	NA	NA
+MetaCyc02853	5-enolpyruvyl-shikimate-3-phosphate [EPSP;3-enolpyruvyl-shikimate-5-phosphate;3-enolpyruvyl-shikimate-5-P;5-O-(1-carboxyvinyl)-3-phosphoshikimate;]	C10H13O10P1	324.024633	NA	metacyc	NA	NA
+C06969	Dorzolamide	C10H16N2O4S3	324.0272	NA	KEGG	NA	NA
+MJ034138	Dorzolamide 	C10H16N2O4S3	324.027219	NA	MeJP	NA	NA
+MJ034139	Dulofibrate 	C16H14Cl2O3	324.031999	NA	MeJP	NA	NA
+C14574	Chlorobenzilate	C16H14Cl2O3	324.032	NA	KEGG	NA	NA
+HMDB00288	Uridine 5'-monophosphate	C9H13N2O9P	324.035858	NA	HMDB2010	NA	NA
+HMDB01271	Pseudouridine 5'-phosphate	C9H13N2O9P	324.035858	NA	HMDB2010	NA	NA
+HMDB11641	Uridine 2'-phosphate	C9H13N2O9P	324.035858	NA	HMDB2010	NA	NA
+HMDB00288	Uridine 5'-monophosphate	C9H13N2O9P	324.03586	http://www.hmdb.ca/metabolites/HMDB00288	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00288	Uridine 5'-monophosphate	C9H13N2O9P	324.03586	http://www.hmdb.ca/metabolites/HMDB00288	HMDB	NA	NA
+HMDB01271	Pseudouridine 5'-phosphate	C9H13N2O9P	324.03586	http://www.hmdb.ca/metabolites/HMDB01271	HMDB	NA	NA
+HMDB00288	Uridine 5'-monophosphate	C9H13N2O9P	324.03586	http://www.hmdb.ca/metabolites/HMDB00288	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00288	Uridine 5'-monophosphate	C9H13N2O9P	324.03586	HMDB00288	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01271	Pseudouridine 5'-phosphate	C9H13N2O9P	324.03586	HMDB01271	PFEM_hmdb_metabocards_official	NA	NA
+MJ034140	3'-UMP 	C9H13N2O9P	324.035866	NA	MeJP	NA	NA
+MJ034141	Pseudouridine 5'-phosphate 	C9H13N2O9P	324.035866	NA	MeJP	NA	NA
+MJ034142	UMP 	C9H13N2O9P	324.035866	NA	MeJP	NA	NA
+MJ034143	5'-Uridylic acid 	C9H13N2O9P	324.035866	NA	MeJP	NA	NA
+MJ034144	Pseudouridine C; 5'-Phosphate 	C9H13N2O9P	324.035866	NA	MeJP	NA	NA
+MetaCyc02854	pseudouridine 5'-phosphate []	C9H13N2O9P1	324.035867	1157-60-4	metacyc	NA	NA
+MetaCyc02855	UMP [uridylate;5'-UMP;U;uridine-5'-monophosphate;5'-uridylic acid (8CI)(9CI);uridine-monophosphate;uridine-5'-phosphate;uridine-phosphate;]	C9H13N2O9P1	324.035867	58-97-9	metacyc	NA	NA
+MetaCyc02856	uridine 3'-monophosphate [3'-UMP;]	C9H13N2O9P1	324.035867	35170-03-7	metacyc	NA	NA
+MetaCyc02857	uridine 2'-monophosphate [2'-UMP;]	C9H13N2O9P1	324.035867	NA	metacyc	NA	NA
+C00105	UMP	C9H13N2O9P	324.0359	NA	KEGG	NA	NA
+C01168	Pseudouridine 5'-phosphate	C9H13N2O9P	324.0359	NA	KEGG	NA	NA
+C01368	3'-UMP	C9H13N2O9P	324.0359	NA	KEGG	NA	NA
+C01370	Aldose	C2H3O2R	324.0359	NA	KEGG	NA	NA
+C01371	Alkane	HR	324.0359	NA	KEGG	NA	NA
+C01372	Alkene	C2H2R2	324.0359	NA	KEGG	NA	NA
+C01373	Cation	C2H2R2	324.0359	NA	KEGG	NA	NA
+C03031	Uridine 2'-phosphate	C9H13N2O9P	324.0359	NA	KEGG	NA	NA
+MJ034145	3,3',4',5,7-Pentahydroxyflavan, 6-Chloro 	C15H13ClO6	324.040065	NA	MeJP	NA	NA
+MJ034146	Hypaphorine, 6-Bromo 	C14H17BrN2O2	324.04734	NA	MeJP	NA	NA
+MetaCyc02858	sinapoyltartronate [2-sinapoyltartronate;]	C14H12O9	324.048132	NA	metacyc	NA	NA
+C12037	Pyochelin	C14H16N2O3S2	324.0602	NA	KEGG	NA	NA
+MJ034147	Hyalodendrin 	C14H16N2O3S2	324.060233	NA	MeJP	NA	NA
+MJ034148	Pyochelin I 	C14H16N2O3S2	324.060233	NA	MeJP	NA	NA
+FLIDHXNF0001	Neobanol	C18H12O6	324.06338	61419-04-3	knapsack	NA	NA
+MJ034149	2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone 	C18H12O6	324.063388	NA	MeJP	NA	NA
+MJ034150	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide 	C18H12O6	324.063388	NA	MeJP	NA	NA
+MJ034151	Grevilline A 	C18H12O6	324.063388	NA	MeJP	NA	NA
+MJ034152	Neobanol 	C18H12O6	324.063388	NA	MeJP	NA	NA
+MJ034153	Sterigmatocystin 	C18H12O6	324.063388	NA	MeJP	NA	NA
+MJ034154	Versicolorin A, 2,3-Dihydro, 6-deoxy 	C18H12O6	324.063388	NA	MeJP	NA	NA
+MetaCyc02859	sterigmatocystin []	C18H12O6	324.063388	10048-13-2	metacyc	NA	NA
+C00961	Sterigmatocystin	C18H12O6	324.0634	NA	KEGG	NA	NA
+MJ034155	Cacoxanthene; 6-Bromo, 7-hydroxy 	C16H21BrO2	324.072492	NA	MeJP	NA	NA
+MJ034156	Cymopol 	C16H21BrO2	324.072492	NA	MeJP	NA	NA
+MJ034157	Curvularin, 10,11-Didehydro, 7-chloro 	C16H17ClO5	324.076451	NA	MeJP	NA	NA
+MJ034158	Asparenomycin C 	C14H16N2O5S	324.077992	NA	MeJP	NA	NA
+MJ034159	Bromadoline 	C15H21BrN2O	324.083725	NA	MeJP	NA	NA
+MJ034160	4-Hydroxy-2H-1-benzopyran-2-one; 2-Oxo-form, O-?-D-Glucopyranoside 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034161	5-Hydroxy-2H-1-benzopyran-2-one; 5-O-?-D-Glucopyranoside 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034162	7-Hydroxy-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034163	Fusarubin; 4a,10a-Dihydro, 10a-hydroxy 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034164	Leucodrin 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034165	Lomazarin 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034166	Plagiogyrin B 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034167	Venusol 	C15H16O8	324.084517	NA	MeJP	NA	NA
+MJ034168	Vorozole 	C16H13ClN6	324.089022	NA	MeJP	NA	NA
+MJ034169	Portulacaxanthin I 	C14H16N2O7	324.09575	NA	MeJP	NA	NA
+C08564	Portulacaxanthin I	C14H16N2O7	324.0958	NA	KEGG	NA	NA
+FL2FE9NF0001	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone	C19H16O5	324.09977	179003-88-4	knapsack	NA	NA
+FLIB1LNF0001	Neoraunone	C19H16O5	324.09977	76165-16-7	knapsack	NA	NA
+FLID1CNF0002	Ambonane	C19H16O5	324.09977	76165-15-6	knapsack	NA	NA
+MJ034170	2,3-Dihydro-3,5,6-trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one, 3-Demethoxy 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034171	2-Methoxy-8-(3,4-dimethoxyphenyl)-1,4-naphthoquinone 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034172	3',4'-Deoxypsorospermin 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034173	4,7-Dihydroxy-5-[2-(4-hydroxyphenyl)ethenyl]-2H-1-benzopyran-2-one, 4,7-Di-Me ether 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034174	5,6-Dimethoxy-2-methyl-3-(3,4-methylenedioxyphenyl)indenone 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034175	9,10-Dihydro-9-hydroxy-9-methyl-5-(2-oxopropyl)-11H-naphtho[2,1-b:4,5-b'c']dipyran-11-one 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034176	Efloxate 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034177	Isocromil 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034178	Kanglemycin C; 6a,12a-Didehydro 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034179	Moracin K 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034180	Moracin L 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034181	Murayaquinone 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034182	Neodunol; Me ether, 10-methoxy 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034183	Nepseudin; 3'-Demethoxy 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034184	Ovalitenin C; 2'',3''-Dihydro 	C19H16O5	324.099773	NA	MeJP	NA	NA
+MJ034185	Viridin; 3?-Alcohol, 2-demethoxy 	C19H16O5	324.099773	NA	MeJP	NA	NA
+C07366	Prazepam	C19H17ClN2O	324.1029	NA	KEGG	NA	NA
+MJ034186	Prazepam 	C19H17ClN2O	324.10294	NA	MeJP	NA	NA
+C04333	Bis-D-fructose 2',1:2,1'-dianhydride	C12H20O10	324.1056	NA	KEGG	NA	NA
+C04334	Citrate (pro-3S)-lyase (acetyl form)	C2H3OSR	324.1056	NA	KEGG	NA	NA
+C04420	D-Fructofuranose 1,2':2,3'-dianhydride	C12H20O10	324.1056	NA	KEGG	NA	NA
+MJ034187	Agarobiose 	C12H20O10	324.105646	NA	MeJP	NA	NA
+MJ034188	Carrabiose 	C12H20O10	324.105646	NA	MeJP	NA	NA
+MJ034189	Neoagarobiose 	C12H20O10	324.105646	NA	MeJP	NA	NA
+MetaCyc02860	&alpha;-D-fructofuranose &beta;-D-fructofuranose 1,2':1,2'-dianhydride [DFA I;]	C12H20O10	324.105647	NA	metacyc	NA	NA
+MJ034190	Furaltadone 	C13H16N4O6	324.106984	NA	MeJP	NA	NA
+MJ034191	Sangivamycic acid; Me ester 	C13H16N4O6	324.106984	NA	MeJP	NA	NA
+MJ034192	Niometacin 	C18H16N2O4	324.111007	NA	MeJP	NA	NA
+MJ034193	Acetohexamide 	C15H20N2O4S	324.114377	NA	MeJP	NA	NA
+MJ034194	Sumacetamol 	C15H20N2O4S	324.114377	NA	MeJP	NA	NA
+C06806	Acetohexamide	C15H20N2O4S	324.1144	NA	KEGG	NA	NA
+C13778	HMR1556	C15H20N2O4S	324.1144	NA	KEGG	NA	NA
+C13820	Chromanol 293B	C15H20N2O4S	324.1144	NA	KEGG	NA	NA
+MJ034195	Archaeosine 	C12H16N6O5	324.118217	NA	MeJP	NA	NA
+MJ034196	1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one, 1',2'-Dihydro, 1'-hydroxy 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034197	5,6,7,8-Tetrahydro-6-hydroxy-2-naphthalenecarboxylic acid, O-?-D-Xylopyranoside 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034198	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), 5,6-di-Me ether 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034199	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7,8-Di-Me ether, 5-O-(2,3-dihydroxy-3-methylbutyl) 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034200	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Dihydroxy-3-methylbutyl), 6,8-di-Me ether 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034201	Cornexistin; 14-Hydroxy 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034202	Curvularin, 11,12-Dihydroxy 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034203	Olguine; 5-Deacetoxy, 5'-epimer 	C16H20O7	324.120902	NA	MeJP	NA	NA
+MJ034204	Rhamnose; ?-L-Pyranose-form, 4-O-(4-Methoxycinnamoyl)(E-) 	C16H20O7	324.120902	NA	MeJP	NA	NA
+HMDB11675	DHAP(10:0)	C13H25O7P	324.133789	NA	HMDB2010	NA	NA
+FL1C19NF0004	Flemistrictin E	C20H20O4	324.13615	84435-29-0	knapsack	NA	NA
+FL1C19NF0005	Flemistrictin B	C20H20O4	324.13615	61235-35-6	knapsack	NA	NA
+FL1C19NP0001	Flemistrictin F	C20H20O4	324.13615	84435-28-9	knapsack	NA	NA
+FL1C19NP0003	Flemistrictin C	C20H20O4	324.13615	61235-36-7	knapsack	NA	NA
+FL1C1ANI0002	Isobavachalcone;Corylifolinin;2',4,4'-Trihydroxy-3'-(3-methyl-2-butenyl)chalcone	C20H20O4	324.13615	20784-50-3	knapsack	NA	NA
+FL1C1ANI0007	4-Hydroxycordoin	C20H20O4	324.13615	55524-25-9	knapsack	NA	NA
+FL1C1ANI0008	Broussochalcone B	C20H20O4	324.13615	28448-85-3	knapsack	NA	NA
+FL1C1ANI0031	Licoagrochalcone A;3-Prenyl-4,2',4'-trihydroxychalcone	C20H20O4	324.13615	202815-28-9	knapsack	NA	NA
+FL1C1ANP0014	Dorsmanin A;5-Prenyl-6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone	C20H20O4	324.13615	162229-27-8	knapsack	NA	NA
+FL1C9ANP0001	Crotmadine	C20H20O4	324.13615	92662-86-7	knapsack	NA	NA
+FL1CA9NI0001	Desmethylisoxanthohumol	C20H20O4	324.13615	72247-78-0	knapsack	NA	NA
+FL1CA9NI0005	2',6'-Dihydroxy-4'-prenyloxychalcone	C20H20O4	324.13615	83905-72-0	knapsack	NA	NA
+FL1DA9NR0003	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone	C20H20O4	324.13615	70056-37-0	knapsack	NA	NA
+FL2F1ANI0003	Isobavachin	C20H20O4	324.13615	31524-62-6	knapsack	NA	NA
+FL2F1ANI0004	Abyssinone II	C20H20O4	324.13615	77263-08-2	knapsack	NA	NA
+FL2F1ANI0006	Bavachin	C20H20O4	324.13615	19879-32-4	knapsack	NA	NA
+FL2F9ANI0001	Crotaramosmin	C20H20O4	324.13615	139682-14-7	knapsack	NA	NA
+FL2FA9NI0001	Glabranin	C20H20O4	324.13615	41983-91-9	knapsack	NA	NA
+FL2FA9NI0003	5,7-Dihydroxy-6-C-prenylflavanone	C20H20O4	324.13615	55051-77-9	knapsack	NA	NA
+FL2FA9NI0015	7-O-Prenylpinocembrin	C20H20O4	324.13615	94393-10-9	knapsack	NA	NA
+FLIC1LNF0001	Crotmarine	C20H20O4	324.13615	92662-85-6	knapsack	NA	NA
+FLIC1LNP0001	Glabridin	C20H20O4	324.13615	59870-68-7	knapsack	NA	NA
+FLIC1LNP0003	(-)-Phaseollinisoflavan	C20H20O4	324.13615	40323-57-7	knapsack	NA	NA
+FLID1ANF0002	Sophorapterocarpan A;Homoedudiol;3,9-Dihydroxy-8-prenylpterocarpan	C20H20O4	324.13615	77369-92-7	knapsack	NA	NA
+FLID1ANI0001	(-)-Phaseollidin	C20H20O4	324.13615	37831-70-2	knapsack	NA	NA
+FLID1ANI0002	Calocarpin;3,9-Dihydroxy-2-prenylpterocarpan	C20H20O4	324.13615	53802-77-0	knapsack	NA	NA
+MJ034205	1,3,8,9-Tetrahydroxy-6-methylanthracene; O3-(3-Methyl-2-butenyl) 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034206	1-(2,5-Dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034207	17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 14-Hydroxy, 15,16-didehydro 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034208	17(15?16)-Abeo-12,16-epoxy-11,14-dihydroxy-5,8,11,13-abietatetraen-7-one, 2,3,15,16-Tetradehydro 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034209	2',4',6'-Trihydroxy-3'-prenylchalcone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034210	2',4',6'-Trihydroxychalcone; 4'-O-(3-Methyl-2-butenyl) 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034211	2',4,4'-Trihydroxy-3'-prenylchalcone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034212	2',4,4'-Trihydroxy-3-prenylchalcone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034213	2',4,4'-Trihydroxy-5'-prenylchalcone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034214	2',4,4'-Trihydroxychalcone; 4'-O-(3-Methyl-2-butenyl) 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034215	2-(2,4-Dihydroxy-3-prenylphenyl)-6-hydroxybenzofuran; 2'-Me ether 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034216	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7'-ene, 3',4'-Methylene, 5-Me ether 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034217	3,7-Dihydroxy-6-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034218	3,7-Dihydroxy-8-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034219	3,9-Dihydroxy-10-prenylpterocarpan 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034220	3,9-Dihydroxy-2-prenylpterocarpan 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034221	3,9-Dihydroxy-6a-prenylpterocarpan 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034222	3,9-Dihydroxy-8-prenylpterocarpan 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034223	4',7-Dihydroxy-3'-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034224	4',7-Dihydroxy-6-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034225	4',7-Dihydroxy-8-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034226	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 3',4'-Methylene, 5-Me ether 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034227	5,7-Dihydroxy-6-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034228	5,7-Dihydroxy-8-prenylflavanone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034229	5,7-Dihydroxyflavanone, 7-O-(3-Methyl-2-butenyl) 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034230	5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034231	5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-cinnamoyl(E-) 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034232	5-Hydroxy-2,2-dimethyl-7-(2-phenylethyl)-2H-1-benzopyran-6-carboxylic acid 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034233	Ajuforrestine A 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034234	Alnusdiol; 13-Oxo, 11-deoxy, 9-ketone, 2-Me ether 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034235	Avicennin 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034236	Cagayanin 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034237	Carinatidin 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034238	Cneorumchromene G 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034239	Coleon F 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034240	Crotmadine 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034241	Crotmarine 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034242	Dehydroguaiaretic acid 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034243	Erythbidin A 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034244	Eupomatenoid 6; 3',7-Dimethoxy 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034245	Flemistrictin B 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034246	Flemistrictin C 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034247	Flemistrictin E 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034248	Flemistrictin F 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034249	Fruticulin A 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034250	Glabridin 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034251	Isobavachromene; 2',3'-Dihydro 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034252	Isobavachromene; 3,4-Dihydro 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034253	Moracin I 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034254	Neochamelin 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034255	Otobain 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034256	Phaseollinisoflavan 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034257	Psorolactone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034258	Pygmaeocin E 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034259	Radulanin E 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034260	Radulanin H 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034261	Radulanin K 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034262	Spatheliabischromene 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034263	Spiranthoquinone 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034264	Teretifolione B 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MJ034265	Xestoquinol; 13,14,15,16-Tetrahydro 	C20H20O4	324.136159	NA	MeJP	NA	NA
+MetaCyc02861	(-)-phaseollidin [phaseollidin;(-)-phaseollidin;]	C20H20O4	324.136159	37831-70-2	metacyc	NA	NA
+C05230	Phaseollidin	C20H20O4	324.1362	NA	KEGG	NA	NA
+C08648	Isobavachalcone	C20H20O4	324.1362	NA	KEGG	NA	NA
+C09048	Spathelia bischromene	C20H20O4	324.1362	NA	KEGG	NA	NA
+C09752	Glabranin	C20H20O4	324.1362	NA	KEGG	NA	NA
+C10421	Glabridin	C20H20O4	324.1362	NA	KEGG	NA	NA
+C10515	(-)-Phaseollinisoflavan	C20H20O4	324.1362	NA	KEGG	NA	NA
+C10728	Otobain	C20H20O4	324.1362	NA	KEGG	NA	NA
+MJ034266	Glaucobiose 	C13H24O9	324.142032	NA	MeJP	NA	NA
+MJ034267	Strophanthobiose; Pyranose-form 	C13H24O9	324.142032	NA	MeJP	NA	NA
+MJ034268	Resorcinomycin A 	C14H20N4O5	324.143369	NA	MeJP	NA	NA
+MJ034269	Norsphaerol 	C18H29Br	324.145263	NA	MeJP	NA	NA
+MJ034270	Alstonal; 11-Methoxy 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034271	Amphotalide 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034272	Bindarit 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034273	Darlucin B 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034274	Ditazole 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034275	Dolasetron 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034276	Oxyphenbutazone 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+MJ034277	Rosicine 	C19H20N2O3	324.147392	NA	MeJP	NA	NA
+C07866	Dolasetron	C19H20N2O3	324.1474	NA	KEGG	NA	NA
+C07867	Transferred to D00725	C19H20N2O3	324.1474	NA	KEGG	NA	NA
+MJ034278	Glyoctamide 	C16H24N2O3S	324.150763	NA	MeJP	NA	NA
+HMDB00600	Galactosylhydroxylysine	C12H24N2O8	324.153259	NA	HMDB2010	NA	NA
+HMDB00600	Galactosylhydroxylysine	C12H24N2O8	324.15326	http://www.hmdb.ca/metabolites/HMDB00600	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00600	Galactosylhydroxylysine	C12H24N2O8	324.15326	http://www.hmdb.ca/metabolites/HMDB00600	HMDB	NA	NA
+HMDB00600	Galactosylhydroxylysine	C12H24N2O8	324.15326	http://www.hmdb.ca/metabolites/HMDB00600	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00600	Galactosylhydroxylysine	C12H24N2O8	324.15326	HMDB00600	PFEM_hmdb_metabocards_official	NA	NA
+MJ034279	2,6-Diamino-5-hydroxyhexanoic acid, ?-D-Galactopyranoside 	C12H24N2O8	324.153265	NA	MeJP	NA	NA
+MJ034280	Antibiotic SS 56A 	C12H24N2O8	324.153265	NA	MeJP	NA	NA
+C17981	Istamycin FU-10	C12H24N2O8	324.1533	NA	KEGG	NA	NA
+MJ034281	Aciclovir; L-Valine ester 	C13H20N6O4	324.154603	NA	MeJP	NA	NA
+MJ034282	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034283	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 15-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034284	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034285	1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034286	1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide, 8-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034287	1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 1-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034288	1,9-Dihydroxy-4,10(14)-germacradien-12,6-olide, 1-Hydroperoxide, 9-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034289	11,13-Epoxy-2,4-dihydroxy-12,6-pseudoguaianolide, 2-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034290	2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034291	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 4-ketone, 6-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034292	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034293	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034294	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034295	2,8,9-Trihydroxy-1(10),4-germacradien-12,6-olide, 8-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034296	3,4,15-Scirpenetriol, 15-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034297	3,4,15-Scirpenetriol, 3-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034298	3,4,15-Scirpenetriol, 4-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034299	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-Angeloyl, 5-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034300	3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-Tigloyl, 3-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034301	3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034302	4,5-Epoxy-2,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034303	4,9-Dihydroxy-3-oxo-11(13)-eudesmen-12-oic acid, 9-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034304	5,9-Dihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 5-Hydroperoxide, 9-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034305	6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,4,5,7-tetrol, 4-Et, 5,7-di-Me ether 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034306	8,10,11-Trihydroxy-3-guaien-12,6-olide, 11-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034307	9,10-Epoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 5-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034308	AF Toxin II 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034309	Eremofortin D 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034310	Naematolin; 13-Hydroxy 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034311	Strychnilactone 	C17H24O6	324.157288	NA	MeJP	NA	NA
+MJ034312	p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 3-Me ether, 9-(2-methylpropanoyl), 10-Ac 	C17H24O6	324.157288	NA	MeJP	NA	NA
+C09560	Tetraneurin E	C17H24O6	324.1573	NA	KEGG	NA	NA
+MJ034313	Nitracrine 	C18H20N4O2	324.158625	NA	MeJP	NA	NA
+HMDB05028	Escitalopram	C20H21FN2O	324.163788	NA	HMDB2010	NA	NA
+HMDB05038	Citalopram	C20H21FN2O	324.163788	NA	HMDB2010	NA	NA
+HMDB05028	Escitalopram	C20H21FN2O	324.16379	http://www.hmdb.ca/metabolites/HMDB05028	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05028	Escitalopram	C20H21FN2O	324.16379	http://www.hmdb.ca/metabolites/HMDB05028	HMDB	NA	NA
+HMDB05038	Citalopram	C20H21FN2O	324.16379	http://www.hmdb.ca/metabolites/HMDB05038	HMDB	NA	NA
+HMDB05028	Escitalopram	C20H21FN2O	324.16379	http://www.hmdb.ca/metabolites/HMDB05028	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05028	Escitalopram	C20H21FN2O	324.16379	HMDB05028	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05038	Citalopram	C20H21FN2O	324.16379	HMDB05038	PFEM_hmdb_metabocards_official	NA	NA
+MJ034314	Citalopram 	C20H21FN2O	324.163791	NA	MeJP	NA	NA
+C07572	Citalopram	C20H21FN2O	324.1638	NA	KEGG	NA	NA
+MJ034315	Tricetamide 	C16H24N2O5	324.168521	NA	MeJP	NA	NA
+MJ034316	1,15-Diisothiocyanato-1,14-pentadecadiene, 1,2-Dihydro 	C17H28N2S2	324.16939	NA	MeJP	NA	NA
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR376	Aldosterone F3	NA	324.172375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR376	Aldosterone F3	NA	324.172375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR376	Aldosterone F3	NA	324.172375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR376	Aldosterone F3	NA	324.172375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR376	Aldosterone F3	F3	324.172375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ034317	3,4',5-Trihydroxy-2-prenylstilbene; 4',5-Di-Me ether 	C21H24O3	324.172544	NA	MeJP	NA	NA
+MJ034318	9,10-Dihydro-2,5,7-trihydroxy-1-prenylphenanthrene; 5,7-Di-Me ether 	C21H24O3	324.172544	NA	MeJP	NA	NA
+MJ034319	Arachidin II, 3,5-Di-Me ether 	C21H24O3	324.172544	NA	MeJP	NA	NA
+MJ034320	Cordiaquinone B 	C21H24O3	324.172544	NA	MeJP	NA	NA
+MJ034321	Cordiaquinone E 	C21H24O3	324.172544	NA	MeJP	NA	NA
+MJ034322	Piptoporic acid 	C21H24O3	324.172544	NA	MeJP	NA	NA
+MJ034323	Tylimanthin B; 4'-Methoxy, Me ether 	C21H24O3	324.172544	NA	MeJP	NA	NA
+7731	proctolin	RYLPT	324.1735	MH2+	Inhouse_peptide	NA	peptide
+MJ034324	Norastemizole 	C19H21FN4	324.175024	NA	MeJP	NA	NA
+MJ034325	3-(1-Hydroxyethyl)-4-methyl-1,4-pentanediol, 1-O-?-D-Glucopyranoside 	C14H28O8	324.178417	NA	MeJP	NA	NA
+MJ034326	1,4-Butanediamine; N,N'-Bis(phenylacetyl) 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034327	11-Methoxy-?14-vincanol 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034328	3,6-Oxidoiboxygaine; Deoxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034329	Accedine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034330	Affinine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034331	Affinisine; 18-Hydroxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034332	Affinisine; N4-Oxide 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034333	Ajmalidine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034334	Akagerine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034335	Akuammicine, 19,20S-Dihydro 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034336	Alstoumerine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034337	Aristolasicone; 15-Alcohol, 8-hydroxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034338	Aspidospermatidine; 11-Hydroxy, N-Ac 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034339	Beninine; 1,2-Didehydro 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034340	Capitelline 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034341	Cyclocapitelline 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034342	Eburnamonine, 11-Methoxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034343	Gardnerine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034344	Humantenirine; Bis(demethoxy), N4-Me 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034345	Hydrakouminol 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034346	Ibophyllidine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034347	Iboquine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034348	Jadiffine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034349	Koumine, 18,19-Dihydro, 19R-hydroxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034350	Kribine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034351	Limatinine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034352	Mehranine, 3-Oxo 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034353	Methuenine; N1-Methoxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034354	Purpeline; 12R-Alcohol, N-de-Me 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034355	Quinicine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034356	Quinidine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034357	Quinine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034358	Sarpagine; N1-Me 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034359	Sarpagine; O10-Me 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034360	Sceletium Alkaloid A4 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034361	Seredamine; 17-Epimer, N-De-Me 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034362	Seredamine; N-De-Me 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034363	Serratoline; 13-Oxo 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034364	Strychnobrasiline; N-De-Ac 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034365	Talpinine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034366	Tetraphyllicine; 17-Epimer, 12-hydroxy 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034367	Tombozine; Me ether, N4-Oxide 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034368	Tubotaiwine 	C20H24N2O2	324.183778	NA	MeJP	NA	NA
+MJ034369	10-Methoxydihydrocorynantheol; 3,4,5,6-Tetradehydro 	C20H25N2O2(+)	324.183778	NA	MeJP	NA	NA
+MJ034370	C-Fluorocurine 	C20H25N2O2(+)	324.183778	NA	MeJP	NA	NA
+MJ034371	Caracurine VII; Nb-Me 	C20H25N2O2(+)	324.183778	NA	MeJP	NA	NA
+MJ034372	Venecurine 	C20H25N2O2(+)	324.183778	NA	MeJP	NA	NA
+MetaCyc02862	Quinine []	C20H24N2O2	324.183778	NA	metacyc	NA	NA
+C06526	Quinine	C20H24N2O2	324.1838	NA	KEGG	NA	NA
+C06527	Quinidine	C20H24N2O2	324.1838	NA	KEGG	NA	NA
+C09021	Affinine	C20H24N2O2	324.1838	NA	KEGG	NA	NA
+C12259	(+)-Sceletium A4	C20H24N2O2	324.1838	NA	KEGG	NA	NA
+MJ034373	1,4-Dihydroxy-11(13)-pseudoguaien-12-oic acid, 4-Ac, Me ester 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034374	14,18-Dihydroxy-12-oxo-9,13,15-octadecatrienoic acid 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034375	2,4-Dihydroxy-6-(6-hydroxyheptyl)benzoic acid, 2-Methylpropyl ester 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034376	3,6-Caryophilladiene-5,9,10,15-tetrol, 5-Me ether, 9-Ac 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034377	3-Hydroxy-6-isopropyl-3-methyl-9-(5-oxotetrahydrofuran-2-yl)-4,9-decadienoic acid 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034378	4-Amorphene-11,15-diol; 15-Malonoyl 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034379	4-Muurolene-7,15-diol, 15-O-Malonoyl 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034380	5,14-Epoxy-5,7,8-marasmanetriol, 5-Me ether, 8-Ac 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034381	6-(4,6-Decadienyl)-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid; Me ester 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034382	Albocycline; 10-Hydroxy 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034383	Albocycline; 11-Hydroxy 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034384	Albocycline; 12-Hydroxy 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034385	Albocycline; 18-Hydroxy 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034386	Albocycline; 8,9-Epoxide 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034387	Antibiotic 1233A 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034388	Grindelistrictic acid 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034389	Hynapene A 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034390	Lachnellulone 	C18H28O5	324.193674	NA	MeJP	NA	NA
+MJ034391	1,3(15),6-Humulatrien-10-ol; Benzoyl 	C22H28O2	324.20893	NA	MeJP	NA	NA
+MJ034392	3(15),6-Caryophylladien-9-ol, Benzoyl 	C22H28O2	324.20893	NA	MeJP	NA	NA
+MJ034393	Amygdalinic acid 	C22H28O2	324.20893	NA	MeJP	NA	NA
+MJ034394	Etonogestrel 	C22H28O2	324.20893	NA	MeJP	NA	NA
+MJ034395	Prolylleucylproline 	C16H28N4O3	324.21614	NA	MeJP	NA	NA
+MJ034396	Bifepramide 	C21H28N2O	324.220163	NA	MeJP	NA	NA
+MJ034397	Diampromide 	C21H28N2O	324.220163	NA	MeJP	NA	NA
+MJ034398	Eburnamine, Et ether 	C21H28N2O	324.220163	NA	MeJP	NA	NA
+MJ034399	Tombozine; Me ether, N4-Me, 19,20-Dihydro 	C21H29N2O(+)	324.220163	NA	MeJP	NA	NA
+MJ034400	15-Chloro-4,8(19)-xeniaphylladien-14-ol 	C20H33ClO	324.221993	NA	MeJP	NA	NA
+MJ034401	17-Chloro-16-kauranol 	C20H33ClO	324.221993	NA	MeJP	NA	NA
+MJ034402	1,2-Dihydroxy-16-heptadecyn-4-one; 1-Ac 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034403	11,12-Drimanediol; Di-Ac 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034404	12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid, Me ester 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034405	4,6-Dihydroxy-20-nor-2,7-cembradien-12-one, 7R,8R-Epoxide 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034406	4,7-Epidioxy-1-nor-10,14-phytadien-2-oic acid 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034407	5-Tridecyl-1,3-benzenediol; 2'R,11'S-Dihydroxy 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034408	5-Tridecyl-1,3-benzenediol; 2'R,13'-Dihydroxy 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034409	5-Tridecyl-1,3-benzenediol; 2'R,8'S-Dihydroxy 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034410	7-[2-Hydroxy-4-(3-hydroxy-1-octenyl)cyclobutyl]-5-heptenoic acid 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034411	9,10-Epoxy-11-hydroxy-12,15-octadecadienoic acid, Me ester 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034412	Gingerdiols; [8]-Gingerdiol 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034413	Lichesteric acid 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034414	Nuapapuin A 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034415	Nuapapuin B; Parent acid 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034416	Pironetin 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034417	Protolichesteric acid 	C19H32O4	324.230059	NA	MeJP	NA	NA
+MJ034418	Raspailynes; Raspailyne A1 	C19H32O4	324.230059	NA	MeJP	NA	NA
+C15495	Decylubiquinol	C19H32O4	324.2301	NA	KEGG	NA	NA
+C15496	Oxidized thiol-containing reductant	S2R2	324.2301	NA	KEGG	NA	NA
+MJ034419	7,15-Diisocyanoisocycloamphilectane 	C22H32N2	324.256549	NA	MeJP	NA	NA
+MJ034420	7,20-Diisocyanoisocycloamphilectane 	C22H32N2	324.256549	NA	MeJP	NA	NA
+MJ034421	7-Isocyano-11(20),14-epiamphilectadiene; 14,15-Dihydro, 15-isocyano 	C22H32N2	324.256549	NA	MeJP	NA	NA
+MJ034422	8-Isocyano-10,14-amphilectadiene; 14,15-Dihydro, 15-isocyano, ?11(20)-isomer 	C22H32N2	324.256549	NA	MeJP	NA	NA
+MJ034423	1,6,10-Phytatriene-3,14,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034424	10-Methylene-9-oxooctadecanoic acid; Me ester 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034425	12-Labdene-9,14,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034426	13-Clerodene-15,16,18-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034427	13-Labdene-2,8,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034428	13-Labdene-3,8,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034429	13-Labdene-8,12,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034430	13-Labdene-8,15,16-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034431	14-Clerodene-3,4,13-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034432	14-Hydroxy-11,17-eicosadienoic acid 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034433	15-Oxo-11-eicosenoic acid 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034434	20-Hydroxy-2-phyten-1,20-olide 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034435	3,11-Cembradiene-8,13,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034436	3,11-Dihydroxy-15-cembren-6-one 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034437	3,4-Epoxy-13,15-clerodanediol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034438	3,4-Epoxy-2,15-clerodanediol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034439	3-Clerodene-15,18,19-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034440	3-Clerodene-7,15,16,18-tetrol, 16-Deoxy 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034441	4,15,16-Erythoxylanetriol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034442	4-Hydroxy-15-clerodanoic acid 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034443	5,15,16-Rosanetriol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034444	7,13-Dihydroxy-14-cleroden-2-one, 14,15-Dihydro 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034445	7-Labdene-13,14,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034446	7-Labdene-2,3,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034447	8(17)-Labdene-13,14,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034448	8(17)-Labdene-3,7,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034449	8,13-Epoxy-14,15-labdanediol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034450	8,15,18-Labdanetriol, 18-Aldehyde 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034451	8,15,18-Labdanetriol, 15-Aldehyde 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034452	8-Hydroxy-15-labdanoic acid 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034453	8-Labdene-13,14,15-triol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034454	Dihydro-5-methoxy-5-methyl-3-(9-tetradecenyl)-2(3H)-furanone 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034455	Trixagotriol 	C20H36O3	324.266445	NA	MeJP	NA	NA
+MJ034456	Des-A-arborina-5,7,9-triene 	C24H36	324.281701	NA	MeJP	NA	NA
+MJ034457	1-Hydroxy-4-eicosen-3-one, Me ether 	C21H40O2	324.30283	NA	MeJP	NA	NA
+MJ034458	4,6-Heneicosanedione 	C21H40O2	324.30283	NA	MeJP	NA	NA
+MJ034459	5-Hydroxyheneicosanoic acid; Lactone 	C21H40O2	324.30283	NA	MeJP	NA	NA
+MJ034460	6,8-Heneicosanedione 	C21H40O2	324.30283	NA	MeJP	NA	NA
+MJ034461	9-Octadecenoic acid, Isopropyl ester 	C21H40O2	324.30283	NA	MeJP	NA	NA
+MJ034462	13-Docosen-1-ol 	C22H44O	324.339216	NA	MeJP	NA	NA
+C17433	Tricosane	C23H48	324.3756	NA	KEGG	NA	NA
+MJ034463	Tricosane 	C23H48	324.375601	NA	MeJP	NA	NA
+2662	synthetic fr, of human beta-CN (138-143) ACE inhibitor	VPQPIP	324.683	MH2+	Inhouse_peptide	NA	peptide
+MJ034464	Lissoclinotoxin A 	C9H11NO2S5	324.939332	NA	MeJP	NA	NA
+MJ034465	Bromosalicylchloranilide 	C13H9BrClNO2	324.950518	NA	MeJP	NA	NA
+C10973	Thiadiazolidinone	C12H12BrN3OS	324.9884	NA	KEGG	NA	NA
+C10975	Triazolidinonethione	C12H12BrN3OS	324.9884	NA	KEGG	NA	NA
+MJ034466	Ethiazide 	C9H12ClN3O4S2	324.995774	NA	MeJP	NA	NA
+C11069	MC-6063	C14H9ClFNO5	325.0153	NA	KEGG	NA	NA
+MJ034467	Dispacamide A; 2-Debromo 	C11H12BrN5O2	325.017437	NA	MeJP	NA	NA
+MJ034468	Famphur 	C10H16NO5PS2	325.02075	NA	MeJP	NA	NA
+MJ034469	4-(Ethylamino)-3,4-dihydro-2-methyl-2H-thieno[3,2-l]-1,2-thiazine-6-sulfonamide 1,1-dioxide 	C9H15N3O4S3	325.022468	NA	MeJP	NA	NA
+MJ034470	Gerrardine 	C11H19NO2S4	325.029861	NA	MeJP	NA	NA
+C10147	Gerrardine	C11H19NO2S4	325.0299	NA	KEGG	NA	NA
+HMDB02377	Urothion	C11H11N5O3S2	325.03033	http://www.hmdb.ca/metabolites/HMDB02377	HMDB	NA	NA
+MJ034471	Urothione 	C11H11N5O3S2	325.03033	NA	MeJP	NA	NA
+HMDB02377	Urothion	C11H11N5O3S2	325.03033	HMDB02377	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02377	Urothion	C11H11N5O3S2	325.030334	NA	HMDB2010	NA	NA
+MetaCyc02863	3-enolpyruvyl-shikimate-3-phosphate [3-enolpyruvyl-shikimate-3p;]	C10H14O10P1	325.032458	NA	metacyc	NA	NA
+MJ034472	Epoxyquinomicin C; 3'-Chloro 	C14H12ClNO6	325.035314	NA	MeJP	NA	NA
+MJ034473	3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester 	C17H11NO6	325.058637	NA	MeJP	NA	NA
+MJ034474	Trididemnic acid A 	C17H11NO6	325.058637	NA	MeJP	NA	NA
+MJ034475	Isalsteine 	C14H15NO6S	325.062007	NA	MeJP	NA	NA
+MJ034476	N-Acetylcysteine, S-(2-(Acetyloxybenzoyl) 	C14H15NO6S	325.062007	NA	MeJP	NA	NA
+MJ034477	Nitrazepic acid 	C16H11N3O5	325.06987	NA	MeJP	NA	NA
+MJ034478	Asobamast 	C13H15N3O5S	325.073241	NA	MeJP	NA	NA
+PJ000310	TCC 	C10H19N3O5S2	325.0766	NA	PeJP	NA	NA
+C07524	Midazolam	C18H13ClFN3	325.0782	NA	KEGG	NA	NA
+MJ034479	Midazolam 	C18H13ClFN3	325.078203	NA	MeJP	NA	NA
+MJ034480	Pancratistatin 	C14H15NO8	325.079766	NA	MeJP	NA	NA
+C08535	Pancratistatin	C14H15NO8	325.0798	NA	KEGG	NA	NA
+MJ034481	Zofenoprilat 	C15H19NO3S2	325.080634	NA	MeJP	NA	NA
+MJ034482	Arcyriaflavin A 	C20H11N3O2	325.085126	NA	MeJP	NA	NA
+MJ034483	1,2,3,9-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2,3-Tri-Me ether 	C18H15NO5	325.095022	NA	MeJP	NA	NA
+MJ034484	1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,6,7-Tri-Me ether 	C18H15NO5	325.095022	NA	MeJP	NA	NA
+MJ034485	Avenanthramide L 	C18H15NO5	325.095022	NA	MeJP	NA	NA
+MJ034486	Erythraline, 10,11-Dioxo 	C18H15NO5	325.095022	NA	MeJP	NA	NA
+MJ034487	Ovigerine, N-Hydroxy 	C18H15NO5	325.095022	NA	MeJP	NA	NA
+HMDB00833	N-Glycolylneuraminic acid	C11H19NO10	325.10089	http://www.hmdb.ca/metabolites/HMDB00833	HMDB	NA	NA
+HMDB00833	N-Glycolylneuraminic acid	C11H19NO10	325.10089	HMDB00833	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00833	N-Glycolylneuraminic acid	C11H19NO10	325.100891	NA	HMDB2010	NA	NA
+MJ034488	N-Glycoloyl-neuraminate 	C11H19NO10	325.100895	NA	MeJP	NA	NA
+MJ034489	N-Glycolylneuraminic acid 	C11H19NO10	325.100895	NA	MeJP	NA	NA
+MetaCyc02864	N-glycoloyl-neuraminate [N-glycolylneuraminate;]	C11H19N1O10	325.100896	1113-83-3	metacyc	NA	NA
+C03410	N-Glycoloyl-neuraminate	C11H19NO10	325.1009	NA	KEGG	NA	NA
+CJpos0749	Indoleacetyl glutamine [(M+Na)]+	C15H17N3NaO4	325.103275	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0749	Indoleacetyl glutamine [(M+Na)]+	C15H17N3NaO4	325.103275	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ034490	Motrazepam 	C17H15N3O4	325.106255	NA	MeJP	NA	NA
+MJ034491	N-[1-(3-Chlorophenyl)cyclobutyl]-N'-cyano-N''-3-pyridinylguanidine 	C17H16ClN5	325.109423	NA	MeJP	NA	NA
+PJ000311	GCF 	C14H19N3O4S	325.1096	NA	PeJP	NA	NA
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	HMDB	NA	NA
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	Inhouse_PFEM	NA	NA
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC014	N-Glycoloyl-neuraminate	C11H19NO10	325.1138	RT8.8	PFEM_hmdb_metabocards_official	NA	NA
+MJ034492	2-(Glucopyranosyloxy)-2-(4-hydroxyphenyl)acetonitrile, 4'-Me ether 	C15H19NO7	325.116151	NA	MeJP	NA	NA
+MetaCyc02865	5'-n-propylthioadenosine []	C13H19N5O3S1	325.12086	NA	metacyc	NA	NA
+MJ034493	5-Cyano-6-methoxyindolo[2,3-a]carbazole; N11-Me 	C21H15N3O	325.121512	NA	MeJP	NA	NA
+MJ034494	3-(1-Chloro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; N-Oxide 	C20H20ClNO	325.123341	NA	MeJP	NA	NA
+PJ000312	GSY 	C14H19N3O6	325.1274	NA	PeJP	NA	NA
+C05174	(S)-Cheilanthifoline	C19H19NO4	325.1314	NA	KEGG	NA	NA
+C09333	Amurensine	C19H19NO4	325.1314	NA	KEGG	NA	NA
+C09334	Amurine	C19H19NO4	325.1314	NA	KEGG	NA	NA
+C09367	Bulbocapnine	C19H19NO4	325.1314	NA	KEGG	NA	NA
+C09389	(+)-Cassythicine	C19H19NO4	325.1314	NA	KEGG	NA	NA
+MJ034495	(S)-Cheilanthifoline 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034496	1,2,3-Trihydroxy-5-oxonoraporphine, Tri-Me ether 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034497	Amurensine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034498	Amurine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034499	Anolobine, Me ether, N-Me, N-oxide 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034500	Ayuthianine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034501	Bulbocapnine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034502	Buxifoline 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034503	Caryachine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034504	Cassythicine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034505	Cheilanthifoline 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034506	Clausamine B, 1',2'-Dihydro, 1'-hydroxy 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034507	Clausamine F 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034508	Corygovanine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034509	Coryovanine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034510	Crotonosine, Me ether, N-formyl 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034511	Cularicine, Me ether 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034512	Dicentrine, N-De-Me 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034513	Discoguattine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034514	Domesticine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034515	Elmerrillicine, N-Me 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034516	Erysotramidine, 10,11-Didehydro 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034517	Guatterine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034518	Isoboldine, 6a,7-Didehydro 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034519	Isodomesticine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034520	Junosine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034521	N-Desmethyl-1,2-dihydro-1-hydroxyacronycine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034522	Nandigerine, N-Me 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034523	Nandinine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034524	Nantenine, N-De-Me 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034525	Neocaryachine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034526	Nuciferine, O2,N-Di-de-Me, N-methoxycarbonyl 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034527	Obovanine; Me ether, 3-methoxy 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034528	Oliveridine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034529	Pachypodanthine; N-Me, N-oxide 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034530	Papaveroline; 4',6,7-Tri-Me ether 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034531	Phanostenine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034532	Podocarpamide; N-De-Me 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034533	Refractamine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034534	Reframoline 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034535	Schelhammeridine; 11a-Oxo 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034536	Schelhammeridine; 8-Oxo 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034537	Stephadiolamine; 4,7-Diepimer, O7-Me 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034538	Stephenanthrine; 8-Hydroxy, N-oxide 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034539	Tetrahydrothalifendine 	C19H19NO4	325.131408	NA	MeJP	NA	NA
+MJ034540	6,7-Dimethoxy-2-methyl-1-(3,4-methylenedioxyphenyl)isoquinolinium(1+); 3,4-Dihydro 	C19H20NO4(+)	325.131408	NA	MeJP	NA	NA
+MJ034541	Cryptowoline, O-De-Me, O2-Me 	C19H20NO4(+)	325.131408	NA	MeJP	NA	NA
+MJ034542	Papaverine; 3',7-Di-O-de-Me, N-Me 	C19H20NO4(+)	325.131408	NA	MeJP	NA	NA
+MetaCyc02866	S-cheilanthifoline [(6aS)-6, 6a, 11,14-tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4, 5-g]quinolizim-9-ol;]	C19H19N1O4	325.131408	483-44-3	metacyc	NA	NA
+MJ034543	Clemizole 	C19H20ClN3	325.134575	NA	MeJP	NA	NA
+CJpos0750	Glucopyranosylmoranoline [(M+H)]+	C12H24NO9	325.136775	C18rt(min)=4.55 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0750	Glucopyranosylmoranoline [(M+H)]+	C12H24NO9	325.136775	C18rt(min)=4.55 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ034544	2-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine, 2'-O-?-D-Xylopyranoside 	C12H23NO9	325.137281	NA	MeJP	NA	NA
+MJ034545	2-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine, 2'-O-Apiofuranoside 	C12H23NO9	325.137281	NA	MeJP	NA	NA
+MJ034546	2-(Hydroxymethyl)-3,4,5-piperidinetriol, 5-O-?-D-Galactopyranoside 	C12H23NO9	325.137281	NA	MeJP	NA	NA
+MJ034547	Bufopyramide 	C18H19N3O3	325.142641	NA	MeJP	NA	NA
+MJ034548	Mecillinam 	C15H23N3O3S	325.146012	NA	MeJP	NA	NA
+8201	ACE inhibitor	MYPGIA	325.1487	MH2+	Inhouse_peptide	NA	peptide
+C10350	Monocrotaline	C16H23NO6	325.1525	NA	KEGG	NA	NA
+MJ034549	Boveinine 	C16H23NO6	325.152537	NA	MeJP	NA	NA
+MJ034550	Capobenic acid 	C16H23NO6	325.152537	NA	MeJP	NA	NA
+MJ034551	Fulvine; N-Oxide 	C16H23NO6	325.152537	NA	MeJP	NA	NA
+MJ034552	Monocrotaline 	C16H23NO6	325.152537	NA	MeJP	NA	NA
+MJ034553	(5-Amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)carbamic acid, Et ester 	C17H19N5O2	325.153874	NA	MeJP	NA	NA
+MJ034554	Piritrexim 	C17H19N5O2	325.153874	NA	MeJP	NA	NA
+2717	erythromycin inhibitor	MRMLT	325.1564	MH2+	Inhouse_peptide	NA	peptide
+MJ034555	Dazidamine 	C19H23N3S	325.161268	NA	MeJP	NA	NA
+7992	synthetic peptide	LHG	325.163	inhibitor	Inhouse_peptide	NA	peptide
+MJ034556	Kasarin 	C15H23N3O5	325.16377	NA	MeJP	NA	NA
+2810	PEP inhibitor	MPPPLP	325.1662	MH2+	Inhouse_peptide	NA	peptide
+MJ034557	1,2,10-Trimethoxyaporphine 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034558	1-[9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034559	3-Hydroxynuciferine, Me ether 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034560	8-(3,3-Dimethylallyloxy)-N-methylflindersine 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034561	Aegeline, Et ether 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034562	Atherosperminine; N-Oxide 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034563	Erioaustralasine; 4'?-form, Deacetoxy 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034564	Flindersine; 7-(3-Methyl-2-butenyloxy), N-Me 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034565	Isothebaine, Me ether 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034566	Lemairamine, N-Me 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034567	Orientine 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034568	Tatsirine; 2,13-Diketone 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034569	Triclazate 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034570	Zanthosimuline; 3',4'-Dihydro, 3'-oxo 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034571	Zanthosimuline; ?2'-Isomer, 4'-hydroxy 	C20H23NO3	325.167793	NA	MeJP	NA	NA
+MJ034572	1,2,10-Trimethoxyaporphine, O10-De-Me, N-Me 	C20H24NO3(+)	325.167793	NA	MeJP	NA	NA
+MJ034573	Isothebaine, N-Me 	C20H24NO3(+)	325.167793	NA	MeJP	NA	NA
+MJ034574	Thebaine, N-Me 	C20H24NO3(+)	325.167793	NA	MeJP	NA	NA
+C10929	Benalaxyl	C20H23NO3	325.1678	NA	KEGG	NA	NA
+C10913	Cycloxydim	C17H27NO3S	325.1712	NA	KEGG	NA	NA
+PJ000313	GLH 	C14H23N5O4	325.175	NA	PeJP	NA	NA
+C07543	Ergonovine	C19H23N3O2	325.179	NA	KEGG	NA	NA
+C11483	MEGA	C19H23N3O2	325.179	NA	KEGG	NA	NA
+MJ034575	Ergometrine 	C19H23N3O2	325.179026	NA	MeJP	NA	NA
+MJ034576	Preechinulin 	C19H23N3O2	325.179026	NA	MeJP	NA	NA
+MJ034577	Terezine D 	C19H23N3O2	325.179026	NA	MeJP	NA	NA
+2664	synthetic fr, of human beta-CN (127-129) ACE inhibitor	PLP	325.188	NA	Inhouse_peptide	NA	peptide
+3391	ACE inhibitor	LPP	325.188	celiac toxic	Inhouse_peptide	NA	peptide
+3522	ACE inhibitor (from bovine b-CN)	IPP	325.188	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ034578	Binizolast 	C18H23N5O	325.19026	NA	MeJP	NA	NA
+MJ034579	?-Fluorocurine 	C20H25N2O2	325.191603	NA	MeJP	NA	NA
+PJ000314	PPL 	C16H27N3O4	325.2002	NA	PeJP	NA	NA
+MJ034580	1-(2-Ethylphenoxy)-3-[(1,2,3,4-tetrahydro-1-naphthalenyl)amino]-2-propanol 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034581	12-Hydroxynorcona-N(18),1,4-trienin-3-one; 12?-form 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034582	2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone, 6'?,7'?-Epoxide, N-Me 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034583	6,11-Diethyl-3-(3-furanylmethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034584	Aprofene 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034585	Dietifen 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034586	Diphenylacetic acid; 3-(Diethylamino)propyl ester 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034587	Etafenone 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034588	Holonamine 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034589	Ifenprodil 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034590	Kurchinine 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+MJ034591	Lobelanidine, N-De-Me 	C21H27NO2	325.204179	NA	MeJP	NA	NA
+C16662	L-alpha-Acetyl-N,N-dinormethadol	C21H27NO2	325.2042	NA	KEGG	NA	NA
+C16663	Tryparedoxin	C21H27NO2	325.2042	NA	KEGG	NA	NA
+C16664	Tryparedoxin disulfide	C21H27NO2	325.2042	NA	KEGG	NA	NA
+HMDB11627	Farnesylcysteine	C18H31NO2S	325.20755	NA	HMDB2010	NA	NA
+MJ034592	Sperabillin C 	C15H27N5O3	325.211389	NA	MeJP	NA	NA
+MJ034593	Cylindricine A 	C19H32ClNO	325.217242	NA	MeJP	NA	NA
+MJ034594	Cylindricine B 	C19H32ClNO	325.217242	NA	MeJP	NA	NA
+C06852	Bisoprolol	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C11845	N-(3-Hydroxy-7-cis-tetradecenoyl)homoserine lactone	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C13800	10-Nitrolinoleic acid	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C13801	Transferred to D02144	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C13958	12-Nitrolinoleic acid	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C13959	Transferred to D02182	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C13960	Transferred to D02183	C18H31NO4	325.2253	NA	KEGG	NA	NA
+C13961	Transferred to D02184	C18H31NO4	325.2253	NA	KEGG	NA	NA
+MJ034595	2-(3-Hydroxy-1-octenyl)-4-oxo-1-azetidineheptanoic acid 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+MJ034596	2-(3-Hydroxy-1-octenyl)-4-oxo-3-azetidineheptanoic acid 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+MJ034597	3-Aminodihydro-2(3H)-furanone, N-(3-Hydroxy-7-tetradecenoyl)(3R,7Z-) 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+MJ034598	Bisoprolol 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+MJ034599	N-Jasmonoylisoleucine; 3,4-Dihydro 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+MJ034600	N-Jasmonoylisoleucine; 6-Epimer, 3,4-dihydro 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+MJ034601	N-Jasmonoylisoleucine; 7?-Alcohol 	C18H31NO4	325.225308	NA	MeJP	NA	NA
+HMDB05049	10-Nitrolinoleic acid	C18H31NO4	325.22531	http://www.hmdb.ca/metabolites/HMDB05049	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05049	10-Nitrolinoleic acid	C18H31NO4	325.22531	http://www.hmdb.ca/metabolites/HMDB05049	HMDB	NA	NA
+HMDB05049	10-Nitrolinoleic acid	C18H31NO4	325.22531	http://www.hmdb.ca/metabolites/HMDB05049	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05049	10-Nitrolinoleic acid	C18H31NO4	325.22531	HMDB05049	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05049	10-Nitrolinoleic acid	C18H31NO4	325.225311	NA	HMDB2010	NA	NA
+MJ034602	Dapiprazole 	C19H27N5	325.226645	NA	MeJP	NA	NA
+MJ034603	Funtudienine 	C22H31NO	325.240564	NA	MeJP	NA	NA
+MJ034604	Holadienine 	C22H31NO	325.240564	NA	MeJP	NA	NA
+MJ034605	Kurchilidine 	C22H31NO	325.240564	NA	MeJP	NA	NA
+MJ034606	Tolterodine 	C22H31NO	325.240564	NA	MeJP	NA	NA
+C07750	Tolterodine	C22H31NO	325.2406	NA	KEGG	NA	NA
+MJ034607	4-Methyl-1-tetradecylpyridinium(1+); Chloride 	C20H36ClN	325.253627	NA	MeJP	NA	NA
+MJ034608	2-(Aminomethyl)-2-propenoic acid; N-Pentadecanoyl 	C19H35NO3	325.261693	NA	MeJP	NA	NA
+MJ034609	2-(Aminomethyl)-2-propenoic acid; N-Tetradecanoyl, Me ester 	C19H35NO3	325.261693	NA	MeJP	NA	NA
+HMDB02088	N-Oleoylethanolamine	C20H39NO2	325.298065	NA	HMDB2010	NA	NA
+HMDB02088	N-Oleoylethanolamine	C20H39NO2	325.29807	http://www.hmdb.ca/metabolites/HMDB02088	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02088	N-Oleoylethanolamine	C20H39NO2	325.29807	http://www.hmdb.ca/metabolites/HMDB02088	HMDB	NA	NA
+HMDB02088	N-Oleoylethanolamine	C20H39NO2	325.29807	http://www.hmdb.ca/metabolites/HMDB02088	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02088	N-Oleoylethanolamine	C20H39NO2	325.29807	HMDB02088	PFEM_hmdb_metabocards_official	NA	NA
+MJ034610	Spectalinine, 13'-Ketone 	C20H39NO2	325.298079	NA	MeJP	NA	NA
+HMDB00265	Liothyronine	C15H12I3NO4	325.3950195	MH2+	Inhouse_peptide	NA	peptide
+7893	peptide from bovine b-lactoglobulin A	YVEEL	325.6495	MH2+	Inhouse_peptide	NA	peptide
+7631	ACE inhibitor from k-CN (fr, 56-60)	LPYPY	325.657	MH2+	Inhouse_peptide	NA	peptide
+3514	ACE inhibitor (a-La 105-110)	LAHKAL	325.697	MH2+	Inhouse_peptide	NA	peptide
+7487	ACE inhibitor from b-casein (169-174)	KVLPVP	325.709	MH2+	Inhouse_peptide	NA	peptide
+MJ034611	1,1,3-Tribromo-3-chloro-2-propanone 	C3H2Br3ClO	325.73443	NA	MeJP	NA	NA
+MJ034612	2,6-Dibromo-4,5-dihydroxy-2-cyclohexen-1-one, 4-Ac 	C8H8Br2O4	325.878934	NA	MeJP	NA	NA
+MJ034613	1,6-Dibromo-8-chloro-1,3-ochtodiene 	C10H13Br2Cl	325.907253	NA	MeJP	NA	NA
+MJ034614	2,6-Dibromo-3-(chloromethylene)-7-methyl-1,6-octadiene 	C10H13Br2Cl	325.907253	NA	MeJP	NA	NA
+MJ034615	2-Bromo-3-(bromomethylene)-6-chloro-7-methyl-1,6-octadiene 	C10H13Br2Cl	325.907253	NA	MeJP	NA	NA
+C14967	1-[2-Bromo-1-(4-chlorophenyl)ethenyl]-2-chlorobenzene	C14H9BrCl2	325.9265	NA	KEGG	NA	NA
+MJ034616	Fluopsin B 	C6H12FeN3O3S3	325.93902	NA	MeJP	NA	NA
+MJ034617	Pantofuranoid A 	C10H16Br2O2	325.951705	NA	MeJP	NA	NA
+MJ034618	Butonate 	C8H14Cl3O5P	325.964443	NA	MeJP	NA	NA
+MJ034619	2,4-Dichloro-1,3,6-trihydroxy-8-methylxanthone 	C14H8Cl2O5	325.974878	NA	MeJP	NA	NA
+MJ034620	2,4-Dichloro-1,5,8-trihydroxy-6-methylxanthone 	C14H8Cl2O5	325.974878	NA	MeJP	NA	NA
+MJ034621	4,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone 	C14H8Cl2O5	325.974878	NA	MeJP	NA	NA
+MJ034622	Niclosamide 	C13H8Cl2N2O4	325.986112	NA	MeJP	NA	NA
+MJ034623	Agelastatin A; N-De-Me 	C11H11BrN4O3	326.001452	NA	MeJP	NA	NA
+MJ034624	Mukanadin B 	C11H11BrN4O3	326.001452	NA	MeJP	NA	NA
+MJ034625	Aspirochlorine; Dechloro 	C12H10N2O5S2	326.003112	NA	MeJP	NA	NA
+MJ034626	Lead(II) acetate 	C4H6O4Pb	326.003244	NA	MeJP	NA	NA
+MJ034627	Mycorrhizin A, 1'-Bromo analogue 	C14H15BrO4	326.015371	NA	MeJP	NA	NA
+MJ034628	2,4,7-Trihydroxy-5-methyl-1,8-naphthalenedicarboxylic acid; 3-Chloro, mono-Me ester 	C14H11ClO7	326.01933	NA	MeJP	NA	NA
+MJ034629	5,7-Dihydroxy-6-oxo-6H-anthra[1,9-bc]thiophene-1-carboxylic acid; Me ester 	C17H10O5S	326.024894	NA	MeJP	NA	NA
+C04242	5-Fluorodeoxyuridine monophosphate	C9H12FN2O8P	326.0315	NA	KEGG	NA	NA
+MetaCyc02867	F-dUMP [fluorodeoxyuridylate;5-fluorodeoxyuridine monophosphate;]	C9H12N2O8F1P1	326.03153	NA	metacyc	NA	NA
+JH214	Taxifolin (=dihydroquercetin) [M+Na]+	NA	326.0394	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH214	Taxifolin (=dihydroquercetin) [M+Na]+	NA	326.0394	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH214	Taxifolin (=dihydroquercetin) [M+Na]+	NA	326.0394	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH214	Taxifolin (=dihydroquercetin) [M+Na]+	NA	326.0394	14.15	Inhousejuil11	NA	NA
+MJ034630	Gliotoxin 	C13H14N2O4S2	326.039498	NA	MeJP	NA	NA
+C10595	Glitoxin	C13H14N2O4S2	326.0395	NA	KEGG	NA	NA
+FLIE2CNS0001	2-Hydroxyflemichapparin C;2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan	C17H10O7	326.04265	35930-39-3	knapsack	NA	NA
+FLIE2CNS0002	Tephrosol;3-Hydroxy-2-methoxy-8,9-methylenedioxycoumestan	C17H10O7	326.04265	75656-29-0	knapsack	NA	NA
+FLIE3CNS0001	Sophoracoumestan B;3-Hydroxy-4-methoxy-8,9-methylenedioxycoumestan	C17H10O7	326.04265	79295-80-0	knapsack	NA	NA
+MJ034631	2,3,8,9-Tetrahydroxycoumestan; 2-Me, 8,9-methylene ether 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034632	2,3,8,9-Tetrahydroxycoumestan; 3-Me, 8,9-methylene ether 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034633	3,4,8,9-Tetrahydroxycoumestan; 4-Me, 8,9-methylene ether 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034634	Araliolactone A 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034635	Araliorhamnone C 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034636	Austocystin F 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034637	Biruloquinone 	C17H10O7	326.042652	NA	MeJP	NA	NA
+MJ034638	Lomatin, O-Sulfate 	C14H14O7S	326.046023	NA	MeJP	NA	NA
+MJ034639	S,S'-Ethanediylcarbonodithioic acid; O,O-Bis(2-methylpropyl) ester 	C12H22O2S4	326.050262	NA	MeJP	NA	NA
+C04639	2,4-Dioxotetrahydropyrimidine D-ribonucleotide	C9H15N2O9P	326.0515	NA	KEGG	NA	NA
+MetaCyc02868	a 2,4-dioxotetrahydropyrimidine D-ribonucleotide []	C9H15N2O9P1	326.051517	NA	metacyc	NA	NA
+MJ034640	?-Glutamylmarasmine 	C10H18N2O6S2	326.060627	NA	MeJP	NA	NA
+MJ034641	Tifurac 	C18H14O4S	326.061279	NA	MeJP	NA	NA
+MJ034642	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3-O-(3,4,5-Trihydroxybenzoyl) 	C14H14O9	326.063782	NA	MeJP	NA	NA
+MJ034643	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 5-O-(3,4,5-Trihydroxybenzoyl) 	C14H14O9	326.063782	NA	MeJP	NA	NA
+MJ034644	Tartaric acid, Mono(4-hydroxy-3-methoxycinnamoyl) 	C14H14O9	326.063782	NA	MeJP	NA	NA
+C02750	Sinapoyltartronate	C14H14O9	326.0638	NA	KEGG	NA	NA
+C14235	Triphenyl phosphate	C18H15O4P	326.0708	NA	KEGG	NA	NA
+C08555	Miraxanthin-II	C13H14N2O8	326.075	NA	KEGG	NA	NA
+MJ034645	Miraxanthin II 	C13H14N2O8	326.075015	NA	MeJP	NA	NA
+MJ034646	3-(Hydroxymethyl)-1,4-dimethyl-3,6-bis(methylthio)-6-(phenylmethyl)-2,5-piperazinedione, Bis-N-de-Me 	C14H18N2O3S2	326.075883	NA	MeJP	NA	NA
+C10074	Jacareubin	C18H14O6	326.079	NA	KEGG	NA	NA
+C17471	Ophiopogonone A	C18H14O6	326.079	NA	KEGG	NA	NA
+FL3F1LNS0003	Millettocalyxin A;7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one	C18H14O6	326.07903	422308-55-2	knapsack	NA	NA
+FL3F2CNS0002	6,7-Dimethoxy-3',4'-methylenedioxyflavone;Milletenin C;2-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C18H14O6	326.07903	55303-89-4	knapsack	NA	NA
+FL3F3CNS0001	7,8-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C18H14O6	326.07903	486430-44-8	knapsack	NA	NA
+FL3FDCNS0001	5,7-Dimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5,7-dimethoxy-4H-1-benzopyran-4-one	C18H14O6	326.07903	89029-12-9	knapsack	NA	NA
+FL5F1CNS0007	Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C18H14O6	326.07903	1668-33-3	knapsack	NA	NA
+FL5FE9NS0010	3,5-Dimethoxy-6,7-methylenedioxyflavone;7,9-Dimethoxy-6-phenyl-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	C18H14O6	326.07903	72357-36-9	knapsack	NA	NA
+FLIA1LNS0008	Cuneatin methyl ether	C18H14O6	326.07903	4253-00-3	knapsack	NA	NA
+FLIA2CNS0003	Fujikinetin methyl ether	C18H14O6	326.07903	2746-85-2	knapsack	NA	NA
+FLIA2CNS0004	3',4'-Dimethoxy-6,7-methylenedioxyisoflavone	C18H14O6	326.07903	61243-76-3	knapsack	NA	NA
+FLIA3CNS0005	Maximaisoflavone D;7,8-Methylenedioxy-3',4'-dimethoxyisoflavone	C18H14O6	326.07903	94413-08-8	knapsack	NA	NA
+FLIA3CNS0007	7,8-Dimethoxy-3',4'-methylenedioxyisoflavone	C18H14O6	326.07903	98668-61-2	knapsack	NA	NA
+FLIADCNS0001	Derrustone;5,7-Dimethoxy-3',4'-methylenedioxyisoflavone	C18H14O6	326.07903	22044-59-3	knapsack	NA	NA
+FLIAE8NS0002	Tlatlancuayin;5,2-Dimethoxy-6,7-methylenedioxyisoflavone	C18H14O6	326.07903	3743-44-0	knapsack	NA	NA
+FLIAEANS0008	Irisolone methyl ether;5,4'-Dimethoxy-6,7-methylenedioxyisoflavone	C18H14O6	326.07903	3405-76-3	knapsack	NA	NA
+FLIFWYNM0002	Boeravinone A;6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone	C18H14O6	326.07903	114567-33-8	knapsack	NA	NA
+FLNADCNS0002	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin	C18H14O6	326.07903	94345-23-0	knapsack	NA	NA
+MJ034647	2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2',7-Di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034648	2',5,6,7-Tetrahydroxyisoflavone; 2',5-Di-Me, 6,7-methylene ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034649	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 5,7-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034650	3',4',6,7-Tetrahydroxyflavone; 6,7-Di-Me, 3',4'-methylene ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034651	3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6,7-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034652	3',4',6,7-Tetrahydroxyisoflavone; 6,7-Methylene, 3',4'-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034653	3',4',7,8-Tetrahydroxyisoflavone; 3',4'-Methylene, 7,8-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034654	3',4',7,8-Tetrahydroxyisoflavone; 7,8-Methylene 3',4'-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034655	3,3',4',7-Tetrahydroxyflavone; 3',4'-Methylene, 3,7-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034656	3,5,6,7-Tetrahydroxyflavone; 3,5-Di-Me, 6,7-methylene ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034657	3,8-Dihydroxy-1-propylanthraquinone-2-carboxylic acid 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034658	4',5-Dihydroxy-6,7-methylenedioxyisoflavone; Di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034659	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 3',4'-Methylene, 5,7-di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034660	5,7-Dihydroxy-3',4'-methylenedioxyflavone; Di-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034661	6,11-Dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one; 8-Hydroxy 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034662	Aristolide C 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034663	Boeravinone B; 6-Me ether 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034664	Cinfenoac 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034665	Dermoquinone 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034666	Fluostatin A; 2,3-Dihydro, 2-hydroxy, 1?-alcohol 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034667	Forbexanthone; O-De-Me 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034668	Isojacareubin 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034669	Isoophiopogonone A 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034670	Jacareubin 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034671	Ligustrone A; 8,9-Dihydro, 8-hydroxy 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034672	Ophiopogonone A 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034673	Osajaxanthone; 4-Hydroxy 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034674	Sterigmatocystin; 1,2-Dihydro 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MJ034675	Toxyloxanthone B 	C18H14O6	326.079038	NA	MeJP	NA	NA
+MetaCyc02869	dihydrosterigmatocystin []	C18H14O6	326.079038	NA	metacyc	NA	NA
+C15224	Tributyltin chloride	C12H27ClSn	326.0823	NA	KEGG	NA	NA
+C15225	Mancozeb	C12H27ClSn	326.0823	NA	KEGG	NA	NA
+MJ034676	2-O-?-D-Glucopyranuronosyl-D-lyxose 	C11H18O11	326.084911	NA	MeJP	NA	NA
+MJ034677	2-O-?-D-Glucopyranuronosyl-D-xylose 	C11H18O11	326.084911	NA	MeJP	NA	NA
+MJ034678	3-O-?-D-Glucopyranuronosyl-D-xylose 	C11H18O11	326.084911	NA	MeJP	NA	NA
+MJ034679	4-O-?-D-Galactopyranuronosyl-D-xylose 	C11H18O11	326.084911	NA	MeJP	NA	NA
+MJ034680	5-O-?-D-Glucopyranuronosyl-L-arabinose 	C11H18O11	326.084911	NA	MeJP	NA	NA
+MJ034681	Cadeguomycin 	C12H14N4O7	326.086248	NA	MeJP	NA	NA
+MJ034682	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(Hydroxyacetyl) 	C17H14N2O5	326.090271	NA	MeJP	NA	NA
+MJ034683	Toddalolactone; 3'-Deoxy, 3'-chloro 	C16H19ClO5	326.092101	NA	MeJP	NA	NA
+MJ034684	Carpetimycin A; S-Deoxy 	C14H18N2O5S	326.093642	NA	MeJP	NA	NA
+MJ034685	Carpetimycin X 	C14H18N2O5S	326.093642	NA	MeJP	NA	NA
+MJ034686	Brasofensine 	C16H20Cl2N2O	326.095268	NA	MeJP	NA	NA
+MJ034687	1-O-p-Coumaroylglucose; ?-D-form 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034688	2-Hydroxyneomajucin; 2-Ketone 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034689	2-Oxo-3-phenylpropanoic acid, O-?-D-Glucopyranoside 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034690	3-(2-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034691	3-(4-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034692	6-O-p-Coumaroylglucose 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034693	Allamancin 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034694	Bilobalide A 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034695	Neoliacinic acid 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034696	Rhamnose, 1-O-(3,4-Dihydroxycinnamoyl) 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034697	myo-Inositol; 6-O-(4-Hydroxy-Z-cinnamoyl) 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034698	cis-beta-D-Glucosyl-2-hydroxycinnamate 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MJ034699	trans-beta-D-Glucosyl-2-hydroxycinnamate 	C15H18O8	326.100167	NA	MeJP	NA	NA
+MetaCyc02870	trans-&beta;-D-Glucosyl-2-hydroxycinnamate [&beta;-D-Glucosyl-2-coumarate;]	C15H18O8	326.100168	NA	metacyc	NA	NA
+MetaCyc02871	4-O-&beta;-D-glucosyl-4-hydroxycinnamate []	C15H18O8	326.100168	NA	metacyc	NA	NA
+MetaCyc02872	coumarinic acid-&beta;-D-glucoside [coumarinic acid glucoside;coumarinate glucoside;]	C15H18O8	326.100168	NA	metacyc	NA	NA
+C04415	4-O-beta-D-Glucosyl-4-hydroxycinnamate	C15H18O8	326.1002	NA	KEGG	NA	NA
+C05158	trans-beta-D-Glucosyl-2-hydroxycinnamate	C15H18O8	326.1002	NA	KEGG	NA	NA
+C05159	6-(2,6-Bis[N-acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-	C28H47N2O21R	326.1002	NA	KEGG	NA	NA
+C05839	cis-beta-D-Glucosyl-2-hydroxycinnamate	C15H18O8	326.1002	NA	KEGG	NA	NA
+C06739	4'-O-beta-D-Glucosyl-cis-p-coumarate	C15H18O8	326.1002	NA	KEGG	NA	NA
+C07605	Bilobalide	C15H18O8	326.1002	NA	KEGG	NA	NA
+C16827	p-Coumaroyl-D-glucose	C15H18O8	326.1002	NA	KEGG	NA	NA
+MJ034700	1-(2,4-Dichlorobenzyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine 	C15H20Cl2N4	326.106502	NA	MeJP	NA	NA
+C08548	Humilixanthin	C14H18N2O7	326.1114	NA	KEGG	NA	NA
+MJ034701	N-Alanylthreonine; L-L-form, N-(2,3-Dihydroxybenzoyl) 	C14H18N2O7	326.1114	NA	MeJP	NA	NA
+MJ034702	Vulgaxanthin II; 5-Alcohol 	C14H18N2O7	326.1114	NA	MeJP	NA	NA
+MJ034703	Ethyl 8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate 	C15H14N6O3	326.112738	NA	MeJP	NA	NA
+C17474	Methylophiopogonone B	C19H18O5	326.1154	NA	KEGG	NA	NA
+FL3FCBNM0002	Eucalyptin;4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one	C19H18O5	326.11542	3122-88-1	knapsack	NA	NA
+MJ034704	1,3,5-Trihydroxy-2-prenylxanthone; 3-Me ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034705	1,3,6-Trihydroxy-2-(3-methyl-2-butenyl)-9H-xanthen-9-one; 3-Me ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034706	1,3,6-Trihydroxy-8-(3-methylbutyl)anthraquinone 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034707	1,3,6-Trihydroxy-8-pentylanthraquinone 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034708	1,3,7-Trihydroxy-2-prenylxanthone; 3-Me ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034709	1,3,8-Trihydroxy-6-methylxanthone; 3-O-(3-Methyl-2-butenyl) 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034710	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-Butyl ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034711	1,5-Bis(3,4-dihydroxyphenyl)-1,4-pentadien-3-one, 3',3''-Di-Me ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034712	15,16-Epoxy-19-nor-4,6,13(16),14-clerodatetraene-18,6:20,12-diolide 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034713	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran, 3',4'-Methylene ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034714	4',5,7-Trihydroxy-6,8-dimethylflavone; 4',7-Di-Me ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034715	5,6-Dimethoxy-2-methyl-3-(3,4-methylenedioxyphenyl)indenone; 2,3-Dihydro (cis-) 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034716	7-Hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; O-(3-Methyl-2-butenoyl) 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034717	Ailanthoidol 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034718	Chrysodin 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034719	Crotocaudin 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034720	Egonol 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034721	Ethyl 2-methyl-2-[(9-oxo-9H-xanthen-3-yl)oxy]propanoate 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034722	Excavatin D 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034723	Geiparvarin 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034724	Globuxanthone; 1-Me ether 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034725	Harringtonolide; 12-Hydroxy 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034726	Kanglemycin C 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034727	Methylophiopogonone B 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034728	Moracin N; 4''-Hydroxy 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034729	Moracin O 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034730	Moracin P 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034731	Scriblitifolic acid, 8-Deoxy 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034732	Tanshinone II; 3?,17-Dihydroxy 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034733	Unguinol 	C19H18O5	326.115423	NA	MeJP	NA	NA
+MJ034734	Topsentin A 	C20H14N4O	326.116761	NA	MeJP	NA	NA
+MJ034735	2-O-?-D-Galactopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034736	2-O-?-D-Glucopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034737	2-O-?-L-Rhamnopyranosyl-D-galactose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034738	2-O-?-D-Galactopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034739	2-O-?-D-Glucopyranosyl-D-xylose; 4-Me 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034740	2-O-?-L-Fucopyranosyl-D-galactose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034741	2-O-?-L-Rhamnopyranosyl-D-galactose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034742	2-O-?-L-Rhamnopyranosyl-D-glucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034743	3-O-?-D-Glucopyranosyl-L-fucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034744	3-O-?-D-Glucopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034745	3-O-?-D-Glucopyranosyl-L-rhamnose; ?-Pyranose-form 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034746	3-O-?-L-Rhamnopyranosyl-D-galactose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034747	4-O-?-D-Galactopyranosyl-L-fucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034748	4-O-?-D-Galactopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034749	4-O-?-D-Glucopyranosyl-L-fucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034750	4-O-?-D-Glucopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034751	4-O-?-D-Mannopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034752	4-O-?-D-Galactopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034753	4-O-?-D-Mannopyranosyl-L-rhamnose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034754	4-O-?-L-Rhamnopyranosyl-D-glucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034755	6-Deoxy-3-O-?-D-galactopyranosyl-D-gulose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034756	6-O-?-D-Fructofuranosyl-2-deoxy-D-glucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034757	6-O-?-L-Fucopyranosyl-D-galactose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034758	6-O-?-L-Rhamnopyranosyl-D-galactose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034759	6-O-?-L-Rhamnopyranosyl-D-glucose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034760	Erycordinobiose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034761	Eryscenobiose 	C12H22O10	326.121296	NA	MeJP	NA	NA
+MJ034762	muco-Quercitol; 4-O-?-D-Glucopyranoside 	C12H22O10	326.121296	NA	MeJP	NA	NA
+C08244	2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose	C12H22O10	326.1213	NA	KEGG	NA	NA
+C08246	Robinobiose	C12H22O10	326.1213	NA	KEGG	NA	NA
+C08247	Rutinose	C12H22O10	326.1213	NA	KEGG	NA	NA
+HMDB06590	2-O-a-L-Fucopyranosyl-galactose	C12H22O10	326.121307	NA	HMDB2010	NA	NA
+HMDB06701	3-O-a-L-Fucopyranosyl-D-glucose	C12H22O10	326.121307	NA	HMDB2010	NA	NA
+HMDB06590	2-O-alpha-L-fucopyranosyl- Galactose	C12H22O10	326.12131	http://www.hmdb.ca/metabolites/HMDB06590	HMDB	NA	NA
+HMDB06701	3-O-alpha-L-Fucopyranosyl-D-glucose	C12H22O10	326.12131	http://www.hmdb.ca/metabolites/HMDB06701	HMDB	NA	NA
+HMDB06590	2-O-alpha-L-fucopyranosyl- Galactose	C12H22O10	326.12131	HMDB06590	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06701	3-O-alpha-L-Fucopyranosyl-D-glucose	C12H22O10	326.12131	HMDB06701	PFEM_hmdb_metabocards_official	NA	NA
+C04332	6,7-Dimethyl-8-(1-D-ribityl)lumazine	C13H18N4O6	326.1226	NA	KEGG	NA	NA
+HMDB03826	6,7-Dimethyl-8-(1-D-ribityl)lumazine	C13H18N4O6	326.12262	NA	HMDB2010	NA	NA
+MetaCyc02873	6,7-dimethyl-8-(1-D-ribityl)lumazine []	C13H18N4O6	326.122634	NA	metacyc	NA	NA
+MJ034763	Erymelanthine; 8-Oxo 	C18H18N2O4	326.126657	NA	MeJP	NA	NA
+MJ034764	Mactanamide 	C18H18N2O4	326.126657	NA	MeJP	NA	NA
+MJ034765	Plicane 	C18H18N2O4	326.126657	NA	MeJP	NA	NA
+MJ034766	Etomoxir 	C17H23ClO4	326.128486	NA	MeJP	NA	NA
+C06924	Clozapine	C18H19ClN4	326.1298	NA	KEGG	NA	NA
+C06925	Colestipol	C18H19ClN4	326.1298	NA	KEGG	NA	NA
+MJ034767	3-[[4-(4-Chlorophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine 	C18H19ClN4	326.129824	NA	MeJP	NA	NA
+MJ034768	Clozapine 	C18H19ClN4	326.129824	NA	MeJP	NA	NA
+MJ034769	Hydroxyhexamide 	C15H22N2O4S	326.130027	NA	MeJP	NA	NA
+C15056	2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate	C20H19FO3	326.1318	NA	KEGG	NA	NA
+MJ034770	Diciferron 	C19H26FeO	326.133307	NA	MeJP	NA	NA
+PJ000315	GNH 	C12H18N6O5	326.1339	NA	PeJP	NA	NA
+MJ034771	1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol; 2',4',5'-Tri-Me ether, 1,2-di-Ac 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034772	2-Hydroxy-4(6)-isopropyl-2,4,6-cycloheptatrien-1-one; 1-O-?-D-Glucopyranoside 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034773	2-Methoxy-4-(1-propenyl)phenol, O-?-D-Glucopyranoside 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034774	2-Methoxy-4-(2-propenyl)phenol; O-?-D-Glucopyranoside 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034775	3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034776	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-O-?-D-glucopyranoside 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034777	4-(4-Hydroxyphenyl)-2-butanone; O-?-D-Glucopyranoside 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034778	6-Acetyl-3,4,5,7,8-pentahydroxy-2,2-dimethyl-2H-1-benzopyran, 5,7,8-Tri-Me ether 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034779	9-Hydroxy-11,15-dioxo-2,3,18,19-tetranor-5-prosten-1,20-dioic acid 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034780	Hyptolide; 3'-O-De-Ac, 5'-epimer 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034781	Macrosphelide A; 4-Epimer, 15-deoxy 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034782	Macrosphelide A; 9-Deoxy 	C16H22O7	326.136553	NA	MeJP	NA	NA
+MJ034783	Tutin; 8,9-Dihydro, 8-hydroxy, O2-Me 	C16H22O7	326.136553	NA	MeJP	NA	NA
+C15451	Hinokitiol glucoside	C16H22O7	326.1366	NA	KEGG	NA	NA
+MJ034784	Cryptowoline 	C19H20NO4	326.139233	NA	MeJP	NA	NA
+C13235	Procaterol hydrochloride	C16H22N2O3	326.1397	NA	KEGG	NA	NA
+C13236	Transferred to D01768	C16H22N2O3	326.1397	NA	KEGG	NA	NA
+C13237	Transferred to D01769	C16H22N2O3	326.1397	NA	KEGG	NA	NA
+C13238	Transferred to D01770	C16H22N2O3	326.1397	NA	KEGG	NA	NA
+C13239	Transferred to D01771	C16H22N2O3	326.1397	NA	KEGG	NA	NA
+MJ034785	3-(1-Piperidinyl)propyl 4-amino-5-chloro-2-methoxybenzoate 	C16H23ClN2O3	326.13972	NA	MeJP	NA	NA
+MJ034786	Delfantrine 	C14H22N4O3S	326.141261	NA	MeJP	NA	NA
+MJ034787	Acepromazine 	C19H22N2OS	326.145284	NA	MeJP	NA	NA
+MJ034788	Aceprometazine 	C19H22N2OS	326.145284	NA	MeJP	NA	NA
+MJ034789	Tiazesim 	C19H22N2OS	326.145284	NA	MeJP	NA	NA
+7642	ACE inhibitor from porcine myosin (80-82)	NPP	326.1469	antioxidative	Inhouse_peptide	NA	peptide
+MJ034790	Nipradilol 	C15H22N2O6	326.147786	NA	MeJP	NA	NA
+10	Myosin	NPP	326.148	celiac toxic	Inhouse_peptide	NA	peptide
+MJ034791	Dazopride 	C15H23ClN4O2	326.150953	NA	MeJP	NA	NA
+C09002	8-(3,3-Dimethylallyl)spatheliachromene	C20H22O4	326.1518	NA	KEGG	NA	NA
+C09031	Pulverochromenol	C20H22O4	326.1518	NA	KEGG	NA	NA
+C09976	Uncinatone	C20H22O4	326.1518	NA	KEGG	NA	NA
+C10550	Dehydrodieugenol	C20H22O4	326.1518	NA	KEGG	NA	NA
+C10650	Licarin A	C20H22O4	326.1518	NA	KEGG	NA	NA
+FL1DA9NI0001	2',4',6'-Trihydroxy-3'-prenyldihydrochalcone	C20H22O4	326.1518	96552-64-6	knapsack	NA	NA
+FL1DA9NI0003	2',6'-Dihydroxy-4'-prenyloxydihydrochalcone	C20H22O4	326.1518	77129-37-4	knapsack	NA	NA
+FL631ANI0001	Broussinol	C20H22O4	326.1518	90902-19-5	knapsack	NA	NA
+FL6FUNNI0001	(+)-Acutifolin A;Acutifolin A;(1R,5R,8R)-rel-(+)-5-Hydroxy-8-(4-hydroxyphenyl)-1-(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione	C20H22O4	326.1518	350221-53-3	knapsack	NA	NA
+FLIC1LNF0002	Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan	C20H22O4	326.1518	121747-87-3	knapsack	NA	NA
+MJ034792	1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2H-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,10,11-triol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034793	1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2H-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,9,10-triol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034794	2',4',7-Trihydroxy-6-prenylisoflavan 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034795	2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034796	2,7,12-Trihydroxy-13-methyl-20-nor-1,5,7,9,11,13-podocarpahexaen-3-one; Tri-Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034797	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan, 4,5-Methylene, 3'-Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034798	3,4',7-Trihydroxy-3'-prenylflavan 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034799	3,4,9,10-Tetrahydro-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-ol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034800	3,4:3',4'-Bis(methylenedioxy)lignan 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034801	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-(3-Methyl-2-butenyl) 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034802	3-Phenyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034803	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 3',5-Di-Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034804	4-Methoxy-2-oxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),8,15,17,18-heptaene-5,10-diol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034805	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Oxo 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034806	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 5',10'-Epoxy 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034807	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Oxo 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034808	5'-(1,1-Dimethyl-2-propenyl)-2',4',7-trihydroxyisoflavan 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034809	5,5-Diisopropyl-2,2'-dimethylbiphenyl-3,3',4,4'-tetrone 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034810	5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 1,2-Didehydro(E-), 5-Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034811	5-Hydroxy-2,2,8-trimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034812	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-2,5,7-octatrienyl), 8-Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034813	8-(3,7-Dimethyl-2,6-octadienyl)-2,7-dihydroxy-1,4-naphthoquinone 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034814	Ajuforrestine A; 15,16-Dihydro 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034815	Allopteroxylin; 6-(3-Methyl-2-butenyl) 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034816	Alnusdiol; 3-Hydroxy, 11-deoxy, 9-ketone, 2-Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034817	Brosimine A 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034818	Carinatidin; 2?,3?-Dihydro 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034819	Conoidene 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034820	Cyclomillinol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034821	Dehydrodieugenol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034822	Dehydroguaiaretic acid; 7?,8?-Dihydro 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034823	Dipetaline 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034824	Erycristanol C 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034825	Galeon 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034826	Garveatin B 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034827	Gingerenone A; 3''-Demethoxy 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034828	Liliflol B 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034829	Millinol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034830	Neomillinol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034831	Nordentatin; Me ether 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034832	Otobaphenol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034833	Piloselloidal 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034834	Preracemosol B 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034835	Pulverochromenol 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034836	Sapriparaquinone; 1,2-Didehydro, 3-oxo 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034837	Sapriparaquinone; 3,4-Didehydro, 16-aldehyde 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034838	Sapriparaquinone; 4,18-Didehydro, 1-oxo 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034839	Sapriparaquinone; 4,18-Didehydro, 3-oxo 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034840	Spiranthol C 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034841	Triptophenolide; 7-Oxo 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034842	Triptoquinonide 	C20H22O4	326.151809	NA	MeJP	NA	NA
+MJ034843	Uncinatone 	C20H22O4	326.151809	NA	MeJP	NA	NA
+PJ000316	PPN 	C14H22N4O5	326.159	NA	PeJP	NA	NA
+C08522	Caribine	C19H22N2O3	326.163	NA	KEGG	NA	NA
+MJ034844	Aspidochibine 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034845	Bumadizone 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034846	Caribine 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034847	Ervatinine 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034848	Gelsedine; 4,20-Didehydro 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034849	Leuconolam 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034850	Terengganensine A 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034851	Voaharine 	C19H22N2O3	326.163042	NA	MeJP	NA	NA
+MJ034852	C-Alkaloid UB 	C19H23N2O3(+)	326.163042	NA	MeJP	NA	NA
+MJ034853	1,2,13-Trihydroxy-4-oxo-12,6-pseudoguaianolide, 2,13-Di-Me ether 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034854	2,3,4,10-Tetrahydroxy-1(5)-guaien-12,6-olide, 2,10-Di-Me ether 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034855	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, 2-Ac 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034856	Botryaloic acid; 4-Ac 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034857	Deacetyldihydrobotrydial; 15-Oxo, 4-Ac 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034858	Doliculol A 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034859	Naematolin C 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034860	Neovasipyrone A 	C17H26O6	326.172938	NA	MeJP	NA	NA
+MJ034861	Etymemazine 	C20H26N2S	326.181669	NA	MeJP	NA	NA
+MJ034862	1,11-Di-3-furanyl-4,8-dimethyl-1,4,8-undecatrien-6-ol 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034863	1,11-Di-3-furanyl-4,8-dimethyl-1,5,8-undecatrien-4-ol 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034864	12-Hydroxypregna-4,6,16-triene-3,20-dione 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034865	17(15?16)-Abeo-17-oxo-8,11,13,15-abietatetraen-19-oic acid, Me ester 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034866	20-Hydroxy-3-oxopregn-4-en-18-oic acid ?-lactone, 6,7-Didehydro 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034867	3-Oxopregna-4,6-dien-18,20-olide 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034868	5,6-Secofuranoeremophila-1(10),2,4-trien-6-ol; 3-Methyl-2-pentenoyl 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034869	Acitretin 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034870	Buparvaquone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034871	Cordiaquinone A 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034872	Cyclofurospongin 2 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034873	Cyclorenierin A 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034874	Docebenone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034875	Frondosin D 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034876	Furospongin 1; 10,11E-Didehydro, 9-ketone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034877	Furospongin 1; 10,11E-Didehydro, ?7-isomer (E-), 9-ketone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034878	Furospongin 1; 10,11E-Didehydro, ?7-isomer (Z-), 9-ketone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034879	Furospongin 1; 10,11Z-Didehydro, 9-ketone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034880	Furospongin 1; 10,11Z-Didehydro, ?7-isomer (Z-), 9-ketone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034881	Furospongin 5 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034882	Hannokinol, 4'-Deoxy, 1,2-didehydro(E-), 3-Et ether 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034883	Malabaricone A 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034884	Moxestrol 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034885	Octabenzone 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034886	Pregna-4,16-diene-3,12,20-trione 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034887	Puupehedione 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034888	Taxamairin G 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034889	Triptophenolide; Me ether 	C21H26O3	326.188194	NA	MeJP	NA	NA
+MJ034890	Untenospongin C 	C21H26O3	326.188194	NA	MeJP	NA	NA
+HMDB03039	Isoacitretin	C21H26O3	326.1882	http://www.hmdb.ca/metabolites/HMDB03039	HMDB	NA	NA
+C01349	AA861	C21H26O3	326.1882	NA	KEGG	NA	NA
+C14757	Moxestrol	C21H26O3	326.1882	NA	KEGG	NA	NA
+C15146	Pregna-4,16-diene-3,11,20-trione	C21H26O3	326.1882	NA	KEGG	NA	NA
+HMDB03039	Isoacitretin	C21H26O3	326.1882	HMDB03039	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03039	Isoacitretin	C21H26O3	326.188202	NA	HMDB2010	NA	NA
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR383	Cortisol F3	NA	326.191175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR383	Cortisol F3	NA	326.191175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR383	Cortisol F3	NA	326.191175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR383	Cortisol F3	NA	326.191175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR383	Cortisol F3	F3	326.191175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C06542	Ajmaline	C20H26N2O2	326.1994	NA	KEGG	NA	NA
+C09217	Isoajmaline	C20H26N2O2	326.1994	NA	KEGG	NA	NA
+C10696	Hydroquinidine	C20H26N2O2	326.1994	NA	KEGG	NA	NA
+C12260	(-)-Tortuosamine	C20H26N2O2	326.1994	NA	KEGG	NA	NA
+MJ034891	Ajmaline 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034892	Alkaloid RMB 10 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034893	Antirhine; natural-form, 10-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034894	Antirhine; natural-form, ar-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034895	Aristolarine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034896	Aristolasol 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034897	Aspidoalbidine; 12-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034898	Beninine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034899	Burnamicine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034900	Cinchonamine; 10-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034901	Corynantheol; 10-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034902	Epsiprantel 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034903	Geissoschizol; 10-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034904	Geissoschizol; 9-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034905	Iboluteine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034906	Iboxygaine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034907	Isogeissoschizol; 10-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034908	Quinicinol 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034909	Quinidine; 10,11-Dihydro 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034910	Quinine; 10,11-Dihydro 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034911	Raumacline 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034912	Rauwolfinine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034913	Retuline; 16-Epimer, 10-methoxy, N-de-Ac 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034914	Serratoline; 15?-Hydroxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034915	Strictanine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034916	Tortuosamine 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034917	Veradoline 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034918	Verilopam 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034919	Voaphylline, 12-Methoxy 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034920	Voaphylline, 16?-Hydroxy, N1-Me 	C20H26N2O2	326.199428	NA	MeJP	NA	NA
+MJ034921	Corynantheol; 10-Hydroxy, Nb-Me(?-) 	C20H27N2O2(+)	326.199428	NA	MeJP	NA	NA
+MJ034922	Geissoschizol; 10-Hydroxy, Nb-Me 	C20H27N2O2(+)	326.199428	NA	MeJP	NA	NA
+MJ034923	Hunterburnine; ?-N-Metho salt 	C20H27N2O2(+)	326.199428	NA	MeJP	NA	NA
+MJ034924	Hunterburnine; ?-N-Me 	C20H27N2O2(+)	326.199428	NA	MeJP	NA	NA
+MetaCyc02874	ajmaline []	C20H26N2O2	326.199428	NA	metacyc	NA	NA
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.2093	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.2093	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.2093	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.2093	Wishlist	Inhousejuil11	NA	NA
+C14794	2,3-Dinor-8-iso prostaglandin F2alpha	C18H30O5	326.2093	NA	KEGG	NA	NA
+HMDB02277	2,3-dinor-6-keto-prostaglandin F1 alpha	C18H30O5	326.20932	http://www.hmdb.ca/metabolites/HMDB02277	HMDB	NA	NA
+HMDB02277	2,3-dinor-6-keto-prostaglandin F1 alpha	C18H30O5	326.20932	HMDB02277	PFEM_hmdb_metabocards_official	NA	NA
+MJ034925	6,8-Dihydroxy-13,14,15,16-tetranor-12-labdanoic acid, 8-Ac 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034926	7,8,13-Trihydroxy-15,16-dinor-18-isopimaranoic acid 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034927	8,12-Epoxy-7(11)-eremophilene-3,6,8,12-tetrol, 6,8,12-Tri-Me ether 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034928	Albocycline; 10-Hydroxy, 2,3-dihydro 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034929	Albocycline; 11-Hydroxy, 2,3-dihydro 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034930	Antibiotic A 121 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034931	Deacetyldihydrobotrydial; 10-Me ether, 4-Ac 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034932	Gloeosporone 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034933	Manadic acid B 	C18H30O5	326.209324	NA	MeJP	NA	NA
+MJ034934	Peroxyplakoric acid A1 	C18H30O5	326.209324	NA	MeJP	NA	NA
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	HMDB	NA	NA
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	Inhouse_PFEM	NA	NA
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR158	2,3-dinor-8-iso-prostaglandinF2a	C18H30O5	326.209325	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR469	Thromboxane B2 F2	NA	326.211025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR469	Thromboxane B2 F2	NA	326.211025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR469	Thromboxane B2 F2	NA	326.211025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR469	Thromboxane B2 F2	NA	326.211025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR469	Thromboxane B2 F2	F2	326.211025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ034935	2-Methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,4-benzoquinone 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034936	3,4-Dihydro-2,7-dimethyl-6-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-5-ol 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034937	3-(10-Hydroxy-10-phenyldecyl)phenol 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034938	3-(10-Phenyldecyl)-1,2-benzenediol 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034939	4,7,9,11,13,16,19-Docosaheptaenoic acid 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034940	4-(10-Phenyldecyl)-1,2-benzenediol 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034941	5-(10-Phenyldecyl)-1,3-benzenediol 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034942	7-Demethylplactochromenol 2 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034943	Buxatenone 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034944	Clusifoliol 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034945	Isopeperobtusin A 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034946	Penostatin D, 6-Deoxy, 6,7-didehydro, 9-ketone 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034947	Peperobtusin A 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034948	Promegestone 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034949	Riccardiphenol B 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034950	Senkyunone 	C22H30O2	326.22458	NA	MeJP	NA	NA
+MJ034951	Siccanochromene A 	C22H30O2	326.22458	NA	MeJP	NA	NA
+C14208	Promegestone	C22H30O2	326.2246	NA	KEGG	NA	NA
+C15190	12alpha-Methylpregna-4,9(11)-diene-3,20-dione	C22H30O2	326.2246	NA	KEGG	NA	NA
+C15033	Hydroxystenozole	C21H30N2O	326.2358	NA	KEGG	NA	NA
+MJ034952	Bunaftine 	C21H30N2O	326.235813	NA	MeJP	NA	NA
+MJ034953	Hydroxystenozole 	C21H30N2O	326.235813	NA	MeJP	NA	NA
+MJ034954	Quinacainol 	C21H30N2O	326.235813	NA	MeJP	NA	NA
+C15140	3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol	C20H32F2O	326.2421	NA	KEGG	NA	NA
+MJ034955	1,2-Dihydroxy-16-heptadecen-4-one; 1-Ac 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034956	12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid, 15,16-Dihydro, Me ester 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034957	16-Heptadecyne-1,2,4-triol, 1-Ac 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034958	16-Heptadecyne-1,2,4-triol, 2-Ac 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034959	16-Heptadecyne-1,2,4-triol, 4-Ac 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034960	2-Methyl-3-tetradecyl-2-butenedioic acid 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034961	9,10-Epoxy-11-hydroxy-12,15-octadecadienoic acid, 15,16-Dihydro, Me ester 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034962	Plakortic acid; 6-Et analogue, Me ester 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034963	Tetrahydro-4-methyl-5-oxo-2-tridecyl-3-furancarboxylic acid 	C19H34O4	326.245709	NA	MeJP	NA	NA
+MJ034964	Conkurchine; N3-Me 	C22H34N2	326.272199	NA	MeJP	NA	NA
+MJ034965	Regholarrhenine C 	C22H34N2	326.272199	NA	MeJP	NA	NA
+MJ034966	11,15-Epoxy-3(20)-phytene-1,2-diol 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034967	13-Cycloheptyl-2-hydroxytridecanoic acid 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034968	14-Hydroxy-11-eicosenoic acid 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034969	4-Cembrene-15,19,20-triol 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034970	6,8,15-Labdanetriol 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034971	7,8,15-Labdanetriol 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034972	7-Hydroxy-8,16-dimethyl-9-octadecenoic acid 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034973	8,15,18-Labdanetriol 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MJ034974	Tetrahydro-4-hydroxy-6-pentadecyl-2H-pyran-2-one 	C20H38O3	326.282095	NA	MeJP	NA	NA
+MetaCyc02875	2-oxophytanate []	C20H38O3	326.282095	NA	metacyc	NA	NA
+C02117	2-Oxophytanate	C20H38O3	326.2821	NA	KEGG	NA	NA
+C02118	3,5-Dioxo acid	C5H3O4R3	326.2821	NA	KEGG	NA	NA
+C02119	3-Acylpyruvate	C4H3O4R	326.2821	NA	KEGG	NA	NA
+MJ034975	Des-A-5(10),12-oleanadiene 	C24H38	326.297351	NA	MeJP	NA	NA
+MJ034976	Des-A-5(10),12-ursadiene 	C24H38	326.297351	NA	MeJP	NA	NA
+HMDB02337	Homophytanic acid	C21H42O2	326.31848	http://www.hmdb.ca/metabolites/HMDB02337	HMDB	NA	NA
+HMDB02345	Heneicosanoic acid	C21H42O2	326.31848	http://www.hmdb.ca/metabolites/HMDB02345	HMDB	NA	NA
+MJ034977	18-Methyleicosanoic acid 	C21H42O2	326.31848	NA	MeJP	NA	NA
+MJ034978	2,3,7,11,15-Pentamethylhexadecanoic acid 	C21H42O2	326.31848	NA	MeJP	NA	NA
+MJ034979	4,6-Heneicosanedione; 4-Alcohol 	C21H42O2	326.31848	NA	MeJP	NA	NA
+MJ034980	4,6-Heneicosanedione; 6-Alcohol 	C21H42O2	326.31848	NA	MeJP	NA	NA
+MJ034981	6,8-Heneicosanedione; 6-Alcohol 	C21H42O2	326.31848	NA	MeJP	NA	NA
+MJ034982	6,8-Heneicosanedione; 8-Alcohol 	C21H42O2	326.31848	NA	MeJP	NA	NA
+MJ034983	Heneicosanoic acid 	C21H42O2	326.31848	NA	MeJP	NA	NA
+HMDB02337	Homophytanic acid	C21H42O2	326.31848	HMDB02337	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02345	Heneicosanoic acid	C21H42O2	326.31848	HMDB02345	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02337	Homophytanic acid	C21H42O2	326.318481	NA	HMDB2010	NA	NA
+HMDB02345	Heneicosanoic acid	C21H42O2	326.318481	NA	HMDB2010	NA	NA
+MJ034984	1-Docosanol 	C22H46O	326.354866	NA	MeJP	NA	NA
+2867	NA	YPFVE	326.6465	MH2+	Inhouse_peptide	NA	peptide
+3686	Neokyotorphin	TSKYR	326.6685	MH2+	Inhouse_peptide	NA	peptide
+8192	Antibacterial peptide	TSKYR	326.6685	MH2+	Inhouse_peptide	NA	peptide
+3970	ACE inhibitor (fragment of a-lactalbumin: 104-108)	WLAHK	326.676	MH2+	Inhouse_peptide	NA	peptide
+3566	NA	EPKAIP	326.6805	MH2+	Inhouse_peptide	NA	peptide
+MJ034985	Cloponone 	C11H9Cl4NO2	326.938739	NA	MeJP	NA	NA
+MJ034986	Eudistomin A 	C15H10BrN3O	327.000724	NA	MeJP	NA	NA
+C07637	Diloxanide furoate	C14H11Cl2NO4	327.0065	NA	KEGG	NA	NA
+C07638	Transferred to D00582	C14H11Cl2NO4	327.0065	NA	KEGG	NA	NA
+MJ034987	Diloxanide; O-(2-Furancarbonyl) 	C14H11Cl2NO4	327.006513	NA	MeJP	NA	NA
+MJ034988	N4-Sulfanilylanilamide 	C12H13N3O4S2	327.034747	NA	MeJP	NA	NA
+MJ034989	6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C16H9NO7	327.037901	NA	MeJP	NA	NA
+MJ034990	8-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C16H9NO7	327.037901	NA	MeJP	NA	NA
+PJ000317	CCC 	C9H17N3O4S3	327.0381	NA	PeJP	NA	NA
+C11293	Etaconazole	C14H15Cl2N3O2	327.0541	NA	KEGG	NA	NA
+MJ034991	Glysobuzole 	C13H17N3O3S2	327.071132	NA	MeJP	NA	NA
+MJ034992	3,4-Dihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4-Me ether, Me ester 	C17H13NO6	327.074287	NA	MeJP	NA	NA
+C17244	3-Methylthiopropyl-desulfoglucosinolate	C11H21NO6S2	327.081	NA	KEGG	NA	NA
+MetaCyc02876	3-methylthiopropyl-desulfoglucosinolate []	C11H21N1O6S2	327.081029	NA	metacyc	NA	NA
+MJ034993	Ranimustine 	C10H18ClN3O7	327.083327	NA	MeJP	NA	NA
+C11235	Diclobutrazol	C15H19Cl2N3O	327.0905	NA	KEGG	NA	NA
+CJpos0751	Acetaminophen glucuronide [(M+H)]+	C14H18NO8	327.094875	C18rt(min)=4.12 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0751	Acetaminophen glucuronide [(M+H)]+	C14H18NO8	327.094875	C18rt(min)=4.12 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ034994	2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; O-?-D-Glucopyranoside 	C14H17NO8	327.095416	NA	MeJP	NA	NA
+HMDB10316	Acetaminophen glucuronide	C14H17NO8	327.095428	NA	HMDB2010	NA	NA
+CJneg0526	Acetaminophen glucuronide [(M-H)]-	C14H16NO8	327.095925	C18rt(min)=4.12 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0526	Acetaminophen glucuronide [(M-H)]-	C14H16NO8	327.095925	C18rt(min)=4.12 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ034995	Leteprinim 	C15H13N5O4	327.096753	NA	MeJP	NA	NA
+MJ034996	Arcyriarubin A 	C20H13N3O2	327.100776	NA	MeJP	NA	NA
+MJ034997	Arcyrin A 	C20H13N3O2	327.100776	NA	MeJP	NA	NA
+MJ034998	Proviolacein 	C20H13N3O2	327.100776	NA	MeJP	NA	NA
+MJ034999	Pseudodeoxyviolacein 	C20H13N3O2	327.100776	NA	MeJP	NA	NA
+MJ035000	4-(2-Aminoethyl)phenol; 2-Oxo, N-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035001	5,7-Dimethoxy-4-(4-methoxyphenyl)-2(1H)-quinolinone; 8-Hydroxy 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035002	Clausevatine E 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035003	Corycularicine 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035004	Erythraline, 11-Oxo, 10?-hydroxy, 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035005	Erythraline, 8-Oxo, 1?,2?-epoxide 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035006	Erythrinine; 8-Oxo 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035007	Fontaphilline 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035008	Furo[2,3-b]quinoline-4,6,7,8-tetrol; OH-form, 6,7-Methylene, 8-O-(3-methyl-2-butenyl), 4-Me ether 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035009	Lycorine, 2-Ketone, 1-Ac 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035010	Nandigerine, N-Hydroxy 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035011	Phenylalanine, N-(3,4-Dihydroxycinnamoyl)(E-) 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035012	Pukateine, 7S-Hydroxy, N-oxide 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035013	Roxiamine A, 2',3'-Didehydro (E-) 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035014	Stephadiolamine; N-Oxide (?-) 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035015	Tecleaverdoornine 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035016	Tranilast 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035017	Tyrosine, N-(4-Hydroxycinnamoyl)(E-) 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+MJ035018	Tyrosine, N-(4-Hydroxycinnamoyl)(Z-) 	C18H17NO5	327.110672	NA	MeJP	NA	NA
+C07104	Loxapine	C18H18ClN3O	327.1138	NA	KEGG	NA	NA
+MJ035019	Loxapine 	C18H18ClN3O	327.113839	NA	MeJP	NA	NA
+MJ035020	Cilobamine 	C17H23Cl2NO	327.115669	NA	MeJP	NA	NA
+PJ000318	GDH 	C12H17N5O6	327.1179	NA	PeJP	NA	NA
+MJ035021	4-[(1,6-Dihydro-6-oxo-3-pyridazinyl)oxy]-3,4-dihydro-3-hydroxy-2,2,3-trimethyl-2H-1-benzopyran-6-carbonitrile 	C17H17N3O4	327.121906	NA	MeJP	NA	NA
+MJ035022	Clofibric acid; Ester with 4-hydroxy-N,N-dimethylbutyramide 	C16H22ClNO4	327.123735	NA	MeJP	NA	NA
+MJ035023	Sulmepride 	C14H21N3O4S	327.125276	NA	MeJP	NA	NA
+MJ035024	Domoilactone A 	C15H21NO7	327.131802	NA	MeJP	NA	NA
+MJ035025	Sesbanimide A 	C15H21NO7	327.131802	NA	MeJP	NA	NA
+MJ035026	4-Amino-5-chloro-N-[1-ethyl-5-(hydroxymethyl)-3-pyrrolidinyl]-2-methoxybenzamide 	C15H22ClN3O3	327.134969	NA	MeJP	NA	NA
+MJ035027	Chondriamide A 	C21H17N3O	327.137162	NA	MeJP	NA	NA
+PJ000319	PPD 	C14H21N3O6	327.1431	NA	PeJP	NA	NA
+MJ035028	1,2,3,9-Tetrahydroxynoraporphine, 1,2,3-Tri-Me ether 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035029	2,3,10,11-Tetrahydroxytetrahydroberberine, 2,10-Di-Me ether 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035030	2,3,10,11-Tetrahydroxytetrahydroberberine, 2,11-Di-Me ether 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035031	2,3,10,11-Tetrahydroxytetrahydroberberine, 2,3-Di-Me ether 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035032	2,3,10,11-Tetrahydroxytetrahydroberberine, 3,11-Di-Me ether 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035033	2-Hydroxy-1,10,11-trimethoxyaporphine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035034	3-Hydroxynuciferine, N-Oxide 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035035	Amurinine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035036	Artacinatine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035037	Bernumine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035038	Bisnorargemonine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035039	Boldine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035040	Bracteine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035041	Bracteoline 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035042	Caseamine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035043	Caseanadine; O9-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035044	Coreximine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035045	Corydine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035046	Corytuberine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035047	Cryptostyline I 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035048	Cularine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035049	Cularine, O6-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035050	Cularine, O9De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035051	Discretamine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035052	Erysotramidine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035053	Erythraline, 11-Methoxy 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035054	Fissistigine B 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035055	Flavinine, N-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035056	Hernagine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035057	Hernovine, N-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035058	Intebrinine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035059	Isoboldine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035060	Isocorydine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035061	Isocorytuberine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035062	Isoscoulerine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035063	Isosinoacutine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035064	Isothebaine, N-Oxide 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035065	Lastourvilline 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035066	Lauroscholtzine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035067	Lindcarpine, N-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035068	Lirioferine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035069	Liriotulipiferine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035070	Munitagine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035071	Naloxone 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035072	Nudaurine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035073	Orientalinone 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035074	Pallidine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035075	Predicentrine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035076	Rurrebanidine; 3-Me ether 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035077	Salutaridine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035078	Sarcocapnidine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035079	Sarcophylline 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035080	Schelhammeridine; 3-Epimer, 6S,7R-epoxide 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035081	Schelhammeridine; 3-Epimer; 6?,7?-epoxide 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035082	Schelhammeridine; 6?,7?-Epoxide 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035083	Scoulerine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035084	Secocularidine; N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035085	Secosarcocapnidine; N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035086	Stenantherine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035087	Stepholidine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035088	Suaveoline 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035089	Thalidicine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035090	Thalidine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035091	Thaliporphine, N-De-Me 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035092	Thebaine, 16-Hydroxy 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035093	Thebaine, N-Oxide 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035094	Cryptaustoline, 10-O-De-Me 	C19H22NO4(+)	327.147058	NA	MeJP	NA	NA
+MJ035095	Litcubine 	C19H22NO4(+)	327.147058	NA	MeJP	NA	NA
+MJ035096	(S)-Scoulerine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MJ035097	Salutaridine 	C19H21NO4	327.147058	NA	MeJP	NA	NA
+MetaCyc02877	salutaridine [5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one;]	C19H21N1O4	327.147058	1936-18-1	metacyc	NA	NA
+MetaCyc02878	S-scoulerine [(13as)-5, 8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol;]	C19H21N1O4	327.147058	6451-73-6	metacyc	NA	NA
+C02106	(S)-Scoulerine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C05179	Salutaridine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C05183	Ferrocytochrome b-561	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C05184	Ferrocytochrome c-552.5	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C07252	Naloxone	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C09365	Boldine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C09366	Bracteoline	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C09400	Cularidine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C09410	Cularimine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C09541	Isoboldine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C11778	3-Acetylmorphine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C11781	6-Acetylmorphine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C12326	(R,S)-Scoulerine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+C17591	(S)-Corytuberine	C19H21NO4	327.1471	NA	KEGG	NA	NA
+MJ035098	Antibiotic LL-BM 726 	C13H21N5O5	327.154268	NA	MeJP	NA	NA
+PJ000320	ATH 	C13H21N5O5	327.1543	NA	PeJP	NA	NA
+MJ035099	Antibiotic OPC 15161 	C18H21N3O3	327.158291	NA	MeJP	NA	NA
+MJ035100	Flestolol 	C15H22FN3O4	327.159434	NA	MeJP	NA	NA
+C08228	Levobunolol hydrochloride	C17H25NO3	327.1601	NA	KEGG	NA	NA
+C08229	Transferred to D01026	C17H25NO3	327.1601	NA	KEGG	NA	NA
+MJ035101	(2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone 	C23H21NO	327.162314	NA	MeJP	NA	NA
+2808	PEP inhibitor	MTPPLP	327.1637	MH2+	Inhouse_peptide	NA	peptide
+MJ035102	Tifenamil 	C20H25NOS	327.165685	NA	MeJP	NA	NA
+MJ035103	Cropodine 	C16H25NO6	327.168187	NA	MeJP	NA	NA
+MJ035104	Hordenine; O-?-D-Glucopyranoside 	C16H25NO6	327.168187	NA	MeJP	NA	NA
+MJ035105	Azaperone 	C19H22FN3O	327.17469	NA	MeJP	NA	NA
+MJ035106	Aminopromazine 	C19H25N3S	327.176918	NA	MeJP	NA	NA
+MJ035107	Glorin 	C15H25N3O5	327.17942	NA	MeJP	NA	NA
+MJ035108	1-[9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine, 4,5-Dihydro 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035109	Armepavine, Me ether 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035110	Benactyzine 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035111	Bonzakaline 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035112	Colchiethanamine; 4'-Me ether 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035113	Dehydronapelline; 12-Ketone, N-de-Et 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035114	Delatisine 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035115	Delnudine 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035116	Difemerine 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035117	Dimenoxadol 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035118	Fortuneine 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035119	Gorchacoine, Me ether 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035120	Hetisine; 2-Ketone 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035121	Jolantamine; Me ether 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035122	Laurifonine 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035123	Retrofractamides; Retrofractamide A 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035124	Spirasine XI; 11-Oxo, 6-hydroxy 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035125	Tatsirine; 13-Ketone 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035126	Tatsirine; 2-Ketone 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035127	Traxoprodil 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035128	Venulusone 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035129	Zanthosimuline; 3',4'-Dihydro, 3'-hydroxy 	C20H25NO3	327.183443	NA	MeJP	NA	NA
+MJ035130	Gorchacoine, N-Me 	C20H26NO3(+)	327.183443	NA	MeJP	NA	NA
+MJ035131	Higenamine, O4',O6,N,N-Tetra-Me 	C20H26NO3(+)	327.183443	NA	MeJP	NA	NA
+MJ035132	Jolantamine; N-Metho salt 	C20H26NO3(+)	327.183443	NA	MeJP	NA	NA
+MJ035133	Longifolidine, N-Me 	C20H26NO3(+)	327.183443	NA	MeJP	NA	NA
+MJ035134	Flumolol 	C17H26FNO4	327.184586	NA	MeJP	NA	NA
+MJ035135	Sophazrine 	C19H25N3O2	327.194677	NA	MeJP	NA	NA
+2653	synthetic fr, of human beta-CN (168-170) ACE inhibitor	VLP	327.204	NA	Inhouse_peptide	NA	peptide
+3166	Diprotin B	VPL	327.204	celiac toxic	Inhouse_peptide	NA	peptide
+3350	Stimulating vasoactive substance release	VPL	327.204	celiac toxic	Inhouse_peptide	NA	peptide
+MJ035136	Cornucervine 	C17H29NO5	327.204573	NA	MeJP	NA	NA
+MJ035137	Trachelanthamine; 3'-Ac 	C17H29NO5	327.204573	NA	MeJP	NA	NA
+PJ000321	PVL 	C16H29N3O4	327.2158	NA	PeJP	NA	NA
+MJ035138	Valylprolylleucine; L-L-L-form 	C16H29N3O4	327.215806	NA	MeJP	NA	NA
+C06863	Butorphanol	C21H29NO2	327.2198	NA	KEGG	NA	NA
+C15177	17-Methylandrosta-2,4-dieno[2,3-d]isoxazol-17beta-ol	C21H29NO2	327.2198	NA	KEGG	NA	NA
+MJ035139	Butorphanol 	C21H29NO2	327.219829	NA	MeJP	NA	NA
+MJ035140	Daphnicaline 	C21H29NO2	327.219829	NA	MeJP	NA	NA
+MJ035141	Holadienine; 11?-Hydroxy, N-de-Me 	C21H29NO2	327.219829	NA	MeJP	NA	NA
+MJ035142	Holadienine; 15?-Hydroxy, N-de-Me 	C21H29NO2	327.219829	NA	MeJP	NA	NA
+CJpos0752	Dimethylnonenoylcarnitine  Undecenoylcarnitine [(M+H)]+	C18H34NO4	327.240375	C18rt(min)=8.94 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0752	Dimethylnonenoylcarnitine  § Undecenoylcarnitine [(M+H)]+	C18H34NO4	327.240375	C18rt(min)=8.94 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ035143	Isoleucyl-N-(2-methylcyclohexyl)threoninamide 	C17H33N3O3	327.252191	NA	MeJP	NA	NA
+MJ035144	2,4,8,10,12,16-Octadecahexaenoic acid; 2-Methylpropylamide 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035145	2-Dodecyl-4(1H)-quinolinone; N-Me 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035146	2-Tridecyl-4(1H)-quinolinone 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035147	3-Aminopregna-5,17(20)-dien-16-one, N-Me 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035148	Cordizine 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035149	Denudatine; 11-Deoxy 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035150	Latifolinine 	C22H33NO	327.256214	NA	MeJP	NA	NA
+MJ035151	Homopiptanthine; 16,17-Didehydro 	C21H33N3	327.267448	NA	MeJP	NA	NA
+MJ035152	Homopiptanthine; 6-Epimer, 16,17-didehydro 	C21H33N3	327.267448	NA	MeJP	NA	NA
+C13914	N,N-Dimethylsphing-4-enine	C20H41NO2	327.3137	NA	KEGG	NA	NA
+HMDB13078	Stearoylethanolamide	C20H41NO2	327.313721	NA	HMDB2010	NA	NA
+MJ035153	Spectalinine 	C20H41NO2	327.313729	NA	MeJP	NA	NA
+MJ035154	Solamine; N-Heptanoyl 	C19H41N3O	327.324962	NA	MeJP	NA	NA
+JH230	Curcumin N/A	NA	327.4125	21.48	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH230	Curcumin N/A	NA	327.4125	21.48	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH230	Curcumin N/A	NA	327.4125	21.48	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH230	Curcumin N/A	NA	327.4125	21.48	Inhousejuil11	NA	NA
+2843	orphanin FQ/nociceptin peptide [FQ/N (1-7)]	FGGFTGA	327.6415	MH2+	Inhouse_peptide	NA	peptide
+MJ035155	Carbon tetrabromide 	CBr4	327.67335	NA	MeJP	NA	NA
+3293	bovine kappa-casein fr, 106-111	MAIPPK	327.6797	MH2+	Inhouse_peptide	NA	peptide
+8307	ACE inhibitor	KVLILA	327.7255	MH2+	Inhouse_peptide	NA	peptide
+C14454	2,4,6-Tribromophenol	C6H3Br3O	327.7734	NA	KEGG	NA	NA
+MJ035156	2,4,6-Tribromophenol 	C6H3Br3O	327.773402	NA	MeJP	NA	NA
+MJ035157	2,6-Dibromo-4,5-dihydroxy-2-cyclohexen-1-one, 1R-Alcohol, 4-Ac 	C8H10Br2O4	327.894584	NA	MeJP	NA	NA
+MJ035158	[Citrato(3-)]oxoperoxyvanadate(V)(2-); K,H salt 	C6H6KO10V	327.903766	NA	MeJP	NA	NA
+MJ035159	3,5-Dibromo-8-chloro-2,6-dimethyl-1,6-octadiene 	C10H15Br2Cl	327.922903	NA	MeJP	NA	NA
+MJ035160	7,8-Dibromo-6-(chloromethylene)-2-methyl-2-octene 	C10H15Br2Cl	327.922903	NA	MeJP	NA	NA
+MJ035161	7-Bromo-6-(bromomethylene)-8-chloro-2-methyl-2-octene 	C10H15Br2Cl	327.922903	NA	MeJP	NA	NA
+MJ035162	Tetrachlorodecaoxide 	C14O10	327.949146	NA	MeJP	NA	NA
+MJ035163	Phorbazole D; 2,3-Dichloro 	C13H7Cl3N2O2	327.95731	NA	MeJP	NA	NA
+MJ035164	Phorbazole D; 3,9-Dichloro 	C13H7Cl3N2O2	327.95731	NA	MeJP	NA	NA
+MJ035165	Ellagic acid; 2,3-Methylene, 7-Me ether 	C16H8O8	328.021917	NA	MeJP	NA	NA
+MJ035166	Ellagic acid; 2,3-Methylene, 8-Me ether 	C16H8O8	328.021917	NA	MeJP	NA	NA
+MJ035167	1-(5-Chloro-2-hydroxyphenyl)-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-one 	C14H8ClF3N2O2	328.022639	NA	MeJP	NA	NA
+MJ035168	Venustin 	C15H18BrClO	328.022955	NA	MeJP	NA	NA
+C11064	Fluorodifen	C13H7F3N2O5	328.0307	NA	KEGG	NA	NA
+MJ035169	2',3'-Dihydroxypropyl [5-deoxy-5-(dimethylarsino)]ribofuranoside, As-Oxide 	C10H21AsO7	328.050324	NA	MeJP	NA	NA
+MJ035170	Eberconazole 	C18H14Cl2N2	328.053403	NA	MeJP	NA	NA
+HMDB06558	2,3-Epoxyaflatoxin B1	C17H12O7	328.058289	NA	HMDB2010	NA	NA
+HMDB06558	2,3-Epoxyaflatoxin B1	C17H12O7	328.05829	http://www.hmdb.ca/metabolites/HMDB06558	HMDB	NA	NA
+HMDB06558	2,3-Epoxyaflatoxin B1	C17H12O7	328.05829	HMDB06558	PFEM_hmdb_metabocards_official	NA	NA
+C10198	(-)-Acanthocarpan	C17H12O7	328.0583	NA	KEGG	NA	NA
+C16755	Aflatoxin G1	C17H12O7	328.0583	NA	KEGG	NA	NA
+C16756	Aflatoxin M1	C17H12O7	328.0583	NA	KEGG	NA	NA
+FL3FGANS0011	Kanzakiflavone 1	C17H12O7	328.0583	59870-76-7	knapsack	NA	NA
+FLIAE8NS0008	5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone	C17H12O7	328.0583	129724-35-2	knapsack	NA	NA
+FLIAECNS0009	Dalspinin;5,7-Dihydroxy-6-methoxy-3',4'-methylenedioxyisoflavone	C17H12O7	328.0583	83162-85-0	knapsack	NA	NA
+FLIDHXNS0002	(-)-Acanthocarpan	C17H12O7	328.0583	70285-12-0	knapsack	NA	NA
+FLIDQUNS0002	Bryaquinone	C17H12O7	328.0583	57684-35-2	knapsack	NA	NA
+MJ035171	1,2,3,6,7-Pentahydroxyanthraquinone; 1,3-Di-Me, 6,7-methylene ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035172	1,2,3,7,8-Pentahydroxyanthraquinone; 2,3-Methylene, 1,8-di-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035173	1,3,5-Trihydroxyanthraquinone-2-carboxylic acid; Et ester 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035174	1,3,8,9-Tetrahydroxycoumestan; 1,8-Di-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035175	1,3,8,9-Tetrahydroxycoumestan; 3,8-Di-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035176	1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 6-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035177	1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 8-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035178	2',3',5,6,7-Pentahydroxyisoflavone; 2'-Me, 6,7-Methylene ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035179	2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone; 5-Hydroxy 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035180	3',4',5,6,7-Pentahydroxyisoflavone; 6-Me, 3',4'-methylene ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035181	3'-Formyl-4',5,5',7-tetrahydroxyisoflavone; 4'-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035182	3,4,10,11-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one; 3-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035183	3,4,6a,8,9-Pentahydroxypterocarpan; 3,4:8,9-Bismethylene ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035184	3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035185	3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035186	3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 6-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035187	3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035188	3,7,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; Me ester 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035189	3-Hydroxyaflatoxin B1 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035190	4',5,6,7,8-Pentahydroxyflavone; 6,7-Methylene, 4'-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035191	4',5,6,7,8-Pentahydroxyisoflavone; 6,7-Methylene, 4'-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035192	6,7,8-Trihydroxyanthraquinone-2-carboxylic acid; 6,8-Di-Me ether 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035193	Aflatoxin B1, 15?,16?-Epoxide 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035194	Aflatoxin B1, 4-Hydroxy 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035195	Aflatoxin G1 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035196	Aflatoxin M1 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035197	Austocystin F; 2,3-Dihydro 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035198	Bryaquinone 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035199	Porphyrilic acid; Me ester 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035200	Scillascillin, 2-Hydroxy 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035201	Ventilatone A; 5-Hydroxy 	C17H12O7	328.058302	NA	MeJP	NA	NA
+MJ035202	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; 3-Methyl-2-butenoyl 	C18H16O2S2	328.059171	NA	MeJP	NA	NA
+MJ035203	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Angeloyl 	C18H16O2S2	328.059171	NA	MeJP	NA	NA
+MJ035204	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; Tigloyl 	C18H16O2S2	328.059171	NA	MeJP	NA	NA
+MJ035205	Clorexolone 	C14H17ClN2O3S	328.06484	NA	MeJP	NA	NA
+MJ035206	10-Bromo-5,10-epoxy-3,8-chamigradiene-2,7-diol 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035207	10-Bromo-7,8-epoxy-2,9-chamigradiene-5,15-diol 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035208	Aplysistatin 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035209	Laureacetal B 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035210	Laurefucin 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035211	Laureoxolane 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035212	Scanlonenyne 	C15H21BrO3	328.067407	NA	MeJP	NA	NA
+MJ035213	4,9-Dihydroxy-1,6-phenazinedicarboxylic acid; Di-Me ester 	C16H12N2O6	328.069536	NA	MeJP	NA	NA
+MJ035214	Antibiotic PD 116152 	C16H12N2O6	328.069536	NA	MeJP	NA	NA
+MJ035215	Cinnabarine; O-Ac 	C16H12N2O6	328.069536	NA	MeJP	NA	NA
+MJ035216	Antibiotic C 1778B; Deoxy 	C13H16N2O6S	328.072906	NA	MeJP	NA	NA
+MJ035217	Antibiotic C 19393E5 	C13H16N2O6S	328.072906	NA	MeJP	NA	NA
+MJ035218	Thienamycin; 8-Epimer, 1',2'-didehydro, N-Ac, S-oxide 	C13H16N2O6S	328.072906	NA	MeJP	NA	NA
+C09919	Bergenin	C14H16O9	328.0794	NA	KEGG	NA	NA
+C16519	2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate	C14H16O9	328.0794	NA	KEGG	NA	NA
+C16520	Hexadecenoyl-[acyl-carrier protein]	C16H29OSR	328.0794	NA	KEGG	NA	NA
+MJ035219	Bergenin 	C14H16O9	328.079432	NA	MeJP	NA	NA
+MJ035220	Thiohexamide 	C14H20N2O3S2	328.091533	NA	MeJP	NA	NA
+FL1ABENM0001	6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone	C18H16O6	328.09468	193552-54-4	knapsack	NA	NA
+FL1AEANS0001	5-Hydroxy-4,6,4'-trimethoxyaurone	C18H16O6	328.09468	137648-02-3	knapsack	NA	NA
+FL1CDCNS0001	Tephrone	C18H16O6	328.09468	84161-84-2	knapsack	NA	NA
+FL1CHYNM0001	3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone	C18H16O6	328.09468	59677-77-9	knapsack	NA	NA
+FL1CHYNS0007	Milletenone	C18H16O6	328.09468	55303-87-2	knapsack	NA	NA
+FL2F1LNS0001	7,2'-Dimethoxy-4',5'-methylenedioxyflavanone	C18H16O6	328.09468	103197-37-1	knapsack	NA	NA
+FL2F2CNS0002	6,7-Dimethoxy-3',4'-methylenedioxyflavanone	C18H16O6	328.09468	94392-48-0	knapsack	NA	NA
+FL2FDCNS0001	(2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone	C18H16O6	328.09468	610770-50-8	knapsack	NA	NA
+FL2FE8NS0001	Betagarin	C18H16O6	328.09468	60132-69-6	knapsack	NA	NA
+FL2FEANS0006	5,4'-Dimethoxy-6,7-methylenedioxyflavanone	C18H16O6	328.09468	105801-21-6	knapsack	NA	NA
+FL2FF9NS0002	5,8-Dihydroxy-7-methoxyflavanone 8-O-acetate	C18H16O6	328.09468	83327-49-5	knapsack	NA	NA
+FL3F29NS0001	Grantionin;2-(3,5-Dimethoxyphenyl)-7-hydroxy-6-methoxy-4H-1-benzopyran-4-one	C18H16O6	328.09468	135729-31-6	knapsack	NA	NA
+FL3F98NS0011	Zapotinin	C18H16O6	328.09468	14813-20-8	knapsack	NA	NA
+FL3FA8NS0008	5-Hydroxy-7,2',5'-trimethoxyflavone;2-(2,5-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C18H16O6	328.09468	639087-96-0	knapsack	NA	NA
+FL3FA8NS0012	5-Hydroxy-7,2',6'-trimethoxyflavone;2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C18H16O6	328.09468	566918-50-1	knapsack	NA	NA
+FL3FALNS0004	Noratocarpetin 7,2',4'-trimethyl ether	C18H16O6	328.09468	132718-84-4	knapsack	NA	NA
+FL3FCCNM0002	5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone;6,8-Di-C-methylluteolin 7-methyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C18H16O6	328.09468	630426-78-7	knapsack	NA	NA
+FL3FCFNS0001	Luteolin 7,3',4'-trimethyl ether;5-Hydroxy-7,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C18H16O6	328.09468	29080-58-8	knapsack	NA	NA
+FL3FEANS0008	Salvigenin	C18H16O6	328.09468	19103-54-9	knapsack	NA	NA
+FL3FEANS0012	6-Hydroxy-5,7,4'-trimethoxyflavone;6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O6	328.09468	6938-19-8	knapsack	NA	NA
+FL3FF8NS0005	7-Hydroxy-5,8,2'-trimethoxyflavone	C18H16O6	328.09468	102273-92-7	knapsack	NA	NA
+FL3FF8NS0015	5-Hydroxy-2',7,8-trimethoxyflavone;Andrographin;Skullcapflavone I 2'-methyl ether;2'-O-Methylskullcapflavone I;5-Hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O6	328.09468	1165-40-8	knapsack	NA	NA
+FL3FFANS0007	Isoscutellarein 7,8,4'-trimethyl ether;5-Hydroxy-7,8,4'-trimethoxyflavone;5-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O6	328.09468	57096-03-4	knapsack	NA	NA
+FL3FG9NS0002	8-Hydroxy-5,6,7-trimethoxyflavone	C18H16O6	328.09468	73213-65-7	knapsack	NA	NA
+FL3FG9NS0003	Alnetin	C18H16O6	328.09468	3151-82-4	knapsack	NA	NA
+FL4DA9NM0002	3,5,7-Trihydroxy-6-methylflavanone 3-acetate	C18H16O6	328.09468	111545-19-8	knapsack	NA	NA
+FL4DA9NS0008	Pinobanksin 3-propionate	C18H16O6	328.09468	126394-70-5	knapsack	NA	NA
+FL4DA9NS0010	3,5-Dihydroxy-7-methoxyflavanone 3-acetate	C18H16O6	328.09468	139906-49-3	knapsack	NA	NA
+FL5F1CNS0005	Fisetin 7,3',4'-trimethyl ether	C18H16O6	328.09468	58544-90-4	knapsack	NA	NA
+FL5F3ANS0004	3-Hydroxy-7,8,4'-trimethoxyflavone	C18H16O6	328.09468	57499-06-6	knapsack	NA	NA
+FL5FCANM0001	6,8-Di-C-methylkaempferol 7-methyl ether	C18H16O6	328.09468	97208-74-7	knapsack	NA	NA
+FL5FDANM0002	5,4'-Dihydroxy-3,7-dimethoxy-6-methylflavone;8-Demethyllatifolin;5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one	C18H16O6	328.09468	92891-70-8	knapsack	NA	NA
+FL5FDANM0004	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C18H16O6	328.09468	88718-51-8	knapsack	NA	NA
+FL5FDANS0004	Kaempferol 3,5,7-trimethyl ether	C18H16O6	328.09468	59259-80-2	knapsack	NA	NA
+FL5FDBNS0002	Kaempferol 3,7,4'-trimethyl ether;5-Hydroxy-3,7,4'-trimethoxyflavone;5-Hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O6	328.09468	15486-34-7	knapsack	NA	NA
+FL5FE9NS0008	Alnustin	C18H16O6	328.09468	32483-98-0	knapsack	NA	NA
+FL5FF9NM0005	Platanin 3,7-dimethyl ether	C18H16O6	328.09468	97208-75-8	knapsack	NA	NA
+FL5FF9NS0008	7-Hydroxy-3,5,8-trimethoxyflavone	C18H16O6	328.09468	71706-62-2	knapsack	NA	NA
+FL5FF9NS0009	Methylgnaphaliin;5-Hydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-3,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one	C18H16O6	328.09468	22399-74-2	knapsack	NA	NA
+FL5FF9NS0010	3-Hydroxy-5,7,8-trimethoxyflavone	C18H16O6	328.09468	103393-10-8	knapsack	NA	NA
+FL6DPTNS0006	4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol	C18H16O6	328.09468	-	knapsack	NA	NA
+FLIA1LNS0009	7-Hydroxy-2',4',5'-trimethoxyisoflavone	C18H16O6	328.09468	29096-94-4	knapsack	NA	NA
+FLIA1LNS0010	2'-Hydroxy-7,3',4'-trimethoxyisoflavone	C18H16O6	328.09468	71973-12-1	knapsack	NA	NA
+FLIA2CNS0005	Cladrastin	C18H16O6	328.09468	24126-90-7	knapsack	NA	NA
+FLIA3CNS0003	7-Hydroxy-8,3',4'-trimethoxyisoflavone	C18H16O6	328.09468	61243-31-0	knapsack	NA	NA
+FLIAEANS0009	7,4'-Di-O-methyltectorigenin;5-Hydroxy-6,7,4'-trimethoxyisoflavone	C18H16O6	328.09468	13186-08-8	knapsack	NA	NA
+FLIAEANS0010	5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone	C18H16O6	328.09468	53505-61-6	knapsack	NA	NA
+FLIAFANS0002	Iso-5-methoxyafrormosin;7-Hydroxy-5,8,4'-trimethoxyisoflavone	C18H16O6	328.09468	68862-20-4	knapsack	NA	NA
+FLIB2CNS0001	6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone	C18H16O6	328.09468	24195-20-8	knapsack	NA	NA
+FLID2CNS0004	2-Methoxypterocarpin;2,3-Dimethoxy-8,9-methylenedioxypterocarpan	C18H16O6	328.09468	30461-93-9	knapsack	NA	NA
+FLID3CNS0004	4-Methoxypterocarpin	C18H16O6	328.09468	2694-70-4	knapsack	NA	NA
+FLIDHYNS0002	6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan	C18H16O6	328.09468	90686-10-5	knapsack	NA	NA
+FLIDWXNS0006	Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene	C18H16O6	328.09468	55306-15-5	knapsack	NA	NA
+FLIDWXNS0007	Bryacarpene 4;4-Hydroxy-3,9,10-trimethoxypterocarpene	C18H16O6	328.09468	55306-16-6	knapsack	NA	NA
+FLNADENS0001	3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin	C18H16O6	328.09468	88126-45-8	knapsack	NA	NA
+FLNAFANS0001	Exostemin;8-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin	C18H16O6	328.09468	16281-62-2	knapsack	NA	NA
+MJ035221	1,2,3,8-Tetrahydroxy-6-methylanthraquinone; 1,2,3-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035222	1,2-Dihydro-5,9,10-trihydroxy-1,1,2-trimethyl-6H-furo[2,3-c]xanthen-6-one 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035223	1,3,5,6-Tetrahydroxy-2-prenylxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035224	1,3,5,6-Tetrahydroxy-4-prenylxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035225	1,3,5,8-Tetrahydroxy-2-prenylxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035226	1,3,5-Trihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 1'-Et ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035227	1,3,5-Trihydroxy-2-hydroxymethylanthraquinone; 5-Me ether, 1'-Et ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035228	1,3,6,7-Tetrahydroxy-2-methylanthraquinone; 1,6,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035229	1,3,6,7-Tetrahydroxy-2-prenylxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035230	1,3,6-Trihydroxy-2-hydroxymethylanthraquinone; 6-Me, 1'-Et ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035231	1,3,8-Trihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 1'-Et ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035232	1-(3-Formyl-2,4,6-trihydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione; 4'-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035233	2',3',4',7-Tetrahydroxyisoflavone; 3',4',7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035234	2',3,4,4',6'-Pentahydroxychalcone; 3,4-Methylene, 2',4'-di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035235	2',4',5',7-Tetrahydroxyflavanone; 2',7-Di Me, 4',5'-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035236	2',4',5',7-Tetrahydroxyisoflavone; 2',4',5'-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035237	2',4',5,7-Tetrahydroxyflavone; 2',4',7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035238	2',4',5,7-Tetrahydroxyisoflavone; 2',4',7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035239	2',4',6,7-Tetrahydroxyisoflavone; 2',4',7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035240	2',5,6,6'-Tetrahydroxyflavone; 2',6,6'-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035241	2',5,6,7-Tetrahydroxyflavanone, 6,7-Methylene, 2',5-di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035242	2',5,7,8-Tetrahydroxyflavone; 2',5,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035243	2',5,7,8-Tetrahydroxyflavone; 2',7,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035244	2,2',4',5',7-Pentahydroxyisoflavene; 2,2'-Di-Me, 4',5'-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035245	2,3,6,8-Tetrahydroxy-1-prenylxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035246	2,3,8,9-Tetrahydroxypterocarpan; 2,3-Di-Me, 8,9-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035247	2-(1,1-Dimethyl-2-propenyl)-1,4,5,6-tetrahydroxyxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035248	2-(2,4-Dihydroxyphenyl)-6-hydroxy-3-benzofurancarboxylic acid; 2',6-Di-Me ether, Me ester 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035249	3',4',5,7-Tetrahydroxy-8-methylflavone; 3',4'-Di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035250	3',4',6,7-Tetrahydroxyflavanone, 6,7-Di-Me, 3',4'-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035251	3',4',6,7-Tetrahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035252	3',4',6,7-Tetrahydroxyisoflavanone; 6,7-Di-Me, 3',4'-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035253	3',4',6,7-Tetrahydroxyisoflavone; 3',4',6-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035254	3',4',6,7-Tetrahydroxyisoflavone; 3',6,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035255	3',4',6,7-Tetrahydroxyisoflavone; 4',6,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035256	3',4',7,8-Tetrahydroxyisoflavone; 3',4',8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035257	3',4,4',6-Tetrahydroxy-5-methylaurone; 4,4'-Di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035258	3',5',6,7-Tetrahydroxyflavone; 3',5',6-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035259	3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035260	3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 7-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035261	3,4',5,7-Tetrahydroxy-6-methylflavone; 3,7-Di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035262	3,4,8,9-Tetrahydroxypterocarpan, 8,9-Methylene, 3,4-di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035263	3,4,9,10-Tetrahydroxypterocarpene; 3,9,10-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035264	3,5,6,7-Tetrahydroxyflavone; 3,6,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035265	3,5,7,8-Tetrahydroxy-6-methylflavone; 3,7-Di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035266	3,5,7,8-Tetrahydroxyflavone; 3,5,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035267	3,5,7,8-Tetrahydroxyflavone; 3,7,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035268	3,5,7,8-Tetrahydroxyflavone; 5,7,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035269	3,5,7-Trihydroxy-6-methylflavanone, 3-Ac 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035270	3,5,7-Trihydroxyflavanone, 3-Propanoyl 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035271	3,5,7-Trihydroxyflavanone, 7-Me ether, 3-Ac 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035272	3,6,7,8-Tetrahydroxy-1,4-phenanthraquinone; Tetra-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035273	3,6,8,9-Tetrahydroxypterocarpan; 3,6-Di-Me, 8,9-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035274	3,8,9,10-Tetrahydroxypterocarpene; 3,8,9-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035275	3-(2,4-Dihydroxyphenyl)-4,7-dihydroxy-2H-1-benzopyran-2-one; 2',4,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035276	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-6-methylchromone; 7-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035277	3-Hydroxy-4',5,7-trimethoxyflavone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035278	4',5,6,7-Tetrahydroxyflavanone, 6,7-Methylene, 4',5-di-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035279	4',5,6,7-Tetrahydroxyflavone; 4',5,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035280	4',5,6,7-Tetrahydroxyflavone; 5,6,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035281	4',5,6,7-Tetrahydroxyisoflavone; 4',5,6-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035282	4',5,6,7-Tetrahydroxyisoflavone; 4',6,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035283	4',5,7,8-Tetrahydroxyflavone; 4',5,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035284	4',5,7,8-Tetrahydroxyflavone; 4',7,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035285	4',5,7,8-Tetrahydroxyisoflavone; 4',5,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035286	4'-Hydroxy-3',5,7-trimethoxyflavone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035287	4'-Hydroxy-3,5,7-trimethoxyflavone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035288	4,4',5,6-Tetrahydroxyaurone; 4,4',6-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035289	4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxyxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035290	4-(1,1-Dimethyl-2-propenyl)-1,3,6,7-tetrahydroxyxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035291	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 4',5,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035292	5,6,7,8-Tetrahydroxyflavone; 5,6,8-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035293	5,6,7,8-Tetrahydroxyflavone; 6,7,8-Tri Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035294	5,7,8-Trihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 4',5,7-Tri-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035295	5,7,8-Trihydroxyflavanone, 7-Me ether, 8-Ac 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035296	5-Hydroxy-3',4',7-trimethoxyflavone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035297	5-Hydroxy-3,4',7-trimethoxyflavone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035298	5-Hydroxy-4',6,7-trimethoxyflavone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035299	9,10-Dihydro-3,7-dihydroxy-1,9,10,10-tetramethyl-4H,6H-furo[2',3':3,4]naphtho[1,8-cd]furan-4,6-dione 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035300	9,10-Dihydro-3,8-dihydroxy-1,7,10-trimethyl-2-anthracenecarboxylic acid; 10-Hydroxy 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035301	Americanin A 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035302	Americanin D 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035303	Eucomin, 6-Methoxy 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035304	Fijiensin 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035305	Frenolicin B 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035306	Isoamericanol A; 9-Aldehyde 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035307	Isorhodoptilometrin; Opt. active-form, 3-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035308	Milletenone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035309	Mopanol; 4-Me, 4',5'-methylene ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035310	Ophiopogonone A; 2,3-Dihydro 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035311	Pancixanthone B; 8-Hydroxy 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035312	Pannarin; Dechloro 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035313	Perseal C 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035314	Perseal D 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035315	Punctatin; 4'-Me ether 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035316	Scleroderolide 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035317	Sclerodin 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035318	Symphoxanthone 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035319	Toxyloxanthone C 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035320	Ulugbekic acid 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MJ035321	Vermistatin 	C18H16O6	328.094688	NA	MeJP	NA	NA
+MetaCyc02879	4-coumaroyl-4'-hydroxyphenyllactate [4-coumaryl-4'-hydroxyphenyllactic acid;]	C18H16O6	328.094688	NA	metacyc	NA	NA
+C09479	Betagarin	C18H16O6	328.0947	NA	KEGG	NA	NA
+C14985	6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O6	328.0947	NA	KEGG	NA	NA
+C14986	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C18H16O6	328.0947	NA	KEGG	NA	NA
+C16188	7-Hydroxy-2',4',5'-trimethoxyisoflavone	C18H16O6	328.0947	NA	KEGG	NA	NA
+C16189	9-Demethylmunduserone	C18H16O6	328.0947	NA	KEGG	NA	NA
+C17475	Ophiopogonanone A	C18H16O6	328.0947	NA	KEGG	NA	NA
+MJ035322	Girisopam 	C18H17ClN2O2	328.097855	NA	MeJP	NA	NA
+MJ035323	Oxazolam 	C18H17ClN2O2	328.097855	NA	MeJP	NA	NA
+CJpos0753	Acetaminophen glucuronide [(M+H)]+ (13C)	C1313CH18NO8	328.098275	C18rt(min)=4.12 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0753	Acetaminophen glucuronide [(M+H)]+ (13C)	C1313CH18NO8	328.098275	C18rt(min)=4.12 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0527	Acetaminophen glucuronide [(M-H)]- (13C)	C1313CH16NO8	328.099325	C18rt(min)=4.12 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0527	Acetaminophen glucuronide [(M-H)]- (13C)	C1313CH16NO8	328.099325	C18rt(min)=4.12 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ035324	Sulfapyrazole 	C16H16N4O2S	328.099396	NA	MeJP	NA	NA
+MetaCyc02880	&beta;-D-Gal-1-4-D-Glc []	C11H20O11	328.100561	NA	metacyc	NA	NA
+MetaCyc02881	6-O-(&beta;-D-xylopyranosyl)-&beta;-D-glucopyranose []	C11H20O11	328.100561	NA	metacyc	NA	NA
+HMDB04256	7-Hydroxy-6-methyl-8-ribityl lumazine	C12H16N4O7	328.101898	NA	HMDB2010	NA	NA
+MJ035325	Photolumazine B; 1'-Deoxy 	C12H16N4O7	328.101898	NA	MeJP	NA	NA
+MJ035326	7-Hydroxy-6-methyl-8-ribityl lumazine 	C12H16N4O7	328.101898	NA	MeJP	NA	NA
+C05995	7-Hydroxy-6-methyl-8-ribityl lumazine	C12H16N4O7	328.1019	NA	KEGG	NA	NA
+C05996	Branched chain fatty acid	C12H16N4O7	328.1019	NA	KEGG	NA	NA
+CJneg0528	Methylinosine [(M-H)+(HCOOH)]-	C12H15N4O7	328.102425	C18rt(min)=4.45 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0528	Methylinosine [(M-H)+(HCOOH)]-	C12H15N4O7	328.102425	C18rt(min)=4.45 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ035327	16-Bromo-15-hexadecen-5-ynoic acid 	C16H25BrO2	328.103792	NA	MeJP	NA	NA
+MJ035328	Carpetimycin A; 1',2'-Dihydro, S-deoxy 	C14H20N2O5S	328.109292	NA	MeJP	NA	NA
+MJ035329	Eclanamine 	C16H22Cl2N2O	328.110918	NA	MeJP	NA	NA
+C09294	Anisatin	C15H20O8	328.1158	NA	KEGG	NA	NA
+C10717	Paeonoside	C15H20O8	328.1158	NA	KEGG	NA	NA
+MJ035330	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-?-D-glucopyranoside 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035331	2',5'-Dihydroxyacetophenone; 5-Me ether, 2-O-?-D-glucopyranoside 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035332	2,4'-Dihydroxyacetophenone; 4'-Me ether, 2-O-?-D-glucopyranoside 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035333	2-Hydroxyneomajucin 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035334	3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone; 3-O-?-D-Glucopyranoside 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035335	4-(Hydroxymethyl)-2-(1-propenyl)-3-furancarboxylic acid, ?-L-Rhamnopyranosyl ester 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035336	4-Hydroxybenzoic acid; Et ester, O-?-D-glucopyranoside 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035337	4-Hydroxybenzyl alcohol; ?-Ac, 4-O-?-D-glucopyranoside 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035338	Anisatin 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035339	Majucin 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035340	Neoanisatin; 2?-Hydroxy 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035341	Neoanisatin; 3?-Hydroxy 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035342	Picrodendrin J 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035343	Salicin; 6'-Ac 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035344	Teuhircoside; 5-Deoxy 	C15H20O8	328.115817	NA	MeJP	NA	NA
+MJ035345	Ourouparine 	C21H17N2O2(+)	328.121177	NA	MeJP	NA	NA
+MJ035346	Liranaftate 	C18H20N2O2S	328.124548	NA	MeJP	NA	NA
+MJ035347	Palythenic acid 	C14H20N2O7	328.127051	NA	MeJP	NA	NA
+3556	ACE inhibitor	FY	328.131	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL1CE9NS0006	2',3',4',6'-Tetramethoxychalcone	C19H20O5	328.13107	63878-53-5	knapsack	NA	NA
+FL1CQUNM0002	2-Hydroxy-7,8-dehydrograndiflorone	C19H20O5	328.13107	77744-54-8	knapsack	NA	NA
+FL2FA9NM0014	5-O-Methylleridol	C19H20O5	328.13107	143084-67-7	knapsack	NA	NA
+MJ035348	1,10-Epoxy-6-hydroxy-2-furanoeremophilen-9-one, 6-(2-Methylpropenoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035349	15,16-Epoxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035350	2',3',4',6'-Tetrahydroxychalcone; Tetra-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035351	2,3',4,6-Tetrahydroxy-2'-prenylbenzophenone; 4-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035352	2,3,4,8-Tetrahydroxy-1-prenyldibenzofuran; 2,4-Di-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035353	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(3-Methyl-2-butenoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035354	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Angeloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035355	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Tigloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035356	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Angeloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035357	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Tigloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035358	2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 3'-Methoxy, 2'-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035359	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, Tri-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035360	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-3-methylbenzofuran, 3'-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035361	2-Hydroxy-7,8-dehydrograndiflorone 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035362	3,4,4'-Trihydroxy-7,9':7',9-diepoxylignan, 3-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035363	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-(4-hydroxycinnamoyl)(E-) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035364	5,7-Dihydroxy-3-(4-hydroxybenzyl)-4-chromanone, Tri-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035365	5,7-Dihydroxy-8-(hydroxymethyl)-6-methylflavanone, 5,7-Di-Me ether 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035366	7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, Angeloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035367	7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, O-(3-Methyl-2-butenoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035368	7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, 2-Methyl-2-butenoyl(Z-) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035369	7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, O-(3-Methyl-2-butenoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035370	8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; ?2'-Isomer, 4'-hydroperoxy 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035371	8-Methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; ?4'-Isomer, 3'-hydroperoxy 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035372	Antibiotic X 14881B; O-De-Me 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035373	Bruceol 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035374	Casuarinondiol 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035375	Clausenidin 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035376	Dihydrooroselol, O-(3-Methyl-2-butenoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035377	Dihydrooroselol, O-Angeloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035378	Eriobrucinol; 4?-Hydroxy 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035379	Eriobrucinol; 5?-Hydroxy 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035380	Excavatin D, 6',7'?-Dihydro 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035381	Ferrearin B 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035382	Frutescin; O-De-Me, 1'-(3-methylbutanoyloxy) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035383	Geiparvarin; 2',3'-Dihydro 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035384	Gingerenone A; Di-O-de-Me 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035385	Gynurone 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035386	Homocyclolongipesin; O-Propanoyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035387	Isoteuflin 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035388	Levatin 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035389	Lomatin, O-(3-Methyl-2-butenoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035390	Lomatin, O-Angeloyl 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035391	Methylophiopogonone B; 2,3-Dihydro 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035392	Nordentatin; 2'',3''-Epoxide 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035393	Ochracenomicin A; 12b-Deoxy, 5,6,6a,12a-tetrahydro 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035394	Protobruceol I; ?2'-Isomer (E-), 4'-hydroxy 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035395	Protobruceol I; ?4'-Isomer, 3'-hydroxy 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035396	Protobruceol IV 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035397	Pseudobruceol II 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035398	Seselinol; O-(3-Methylbutanoyl) 	C19H20O5	328.131073	NA	MeJP	NA	NA
+MJ035399	Vafzelin 	C19H20O5	328.131073	NA	MeJP	NA	NA
+C09258	Decursin	C19H20O5	328.1311	NA	KEGG	NA	NA
+C09272	Libanorin	C19H20O5	328.1311	NA	KEGG	NA	NA
+C17482	(-)-Deltoin	C19H20O5	328.1311	NA	KEGG	NA	NA
+C11012	Pencycuron	C19H21ClN2O	328.1342	NA	KEGG	NA	NA
+MJ035400	Imupedone 	C19H21ClN2O	328.134241	NA	MeJP	NA	NA
+MJ035401	Eisenin; L-L-L-form 	C13H20N4O6	328.138284	NA	MeJP	NA	NA
+MJ035402	6,7-Dimethyl-8-(1-D-ribityl)lumazine 	C13H20N4O6	328.138284	NA	MeJP	NA	NA
+PJ000322	FY 	C18H20N2O4	328.1423	NA	PeJP	NA	NA
+MJ035403	Megistosarconine; 8-Imide 	C18H20N2O4	328.142307	NA	MeJP	NA	NA
+MJ035404	Midamaline 	C18H21ClN4	328.145474	NA	MeJP	NA	NA
+MJ035405	Tiapride 	C15H24N2O4S	328.145677	NA	MeJP	NA	NA
+2919	neuropeptide from eyestalk of Macrobrachium rosenb	FMRFG	328.1492	MH2+	Inhouse_peptide	NA	peptide
+C09965	Rhododendrin	C16H24O7	328.1522	NA	KEGG	NA	NA
+MJ035406	2,6-Dimethyl-2,6-octadiene-1,8-diol, (1?6')-Lactone, 1-carboxylic acid, 8-O-?-D-glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035407	2-Isopropyl-5-methyl-1,4-benzenediol; 2-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035408	2-Isopropyl-5-methyl-1,4-benzenediol; 5-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035409	3-(Hydroxymethyl)-5,5-dimethyl-4-methylene-2-cyclohexen-1-one; O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035410	4-(4-Hydroxyphenyl)-2-butanol, 2-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035411	4-(4-Hydroxyphenyl)-2-butanol, 4'-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035412	4-(4-Hydroxyphenyl)-2-butanol, 2-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035413	4-(4-Hydroxyphenyl)-2-butanol, 4'-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035414	5-Isopropyl-2-methyl-1,3-benzenediol; Mono-O-?-D-glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035415	Cryptocaryolone; Di-Ac 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035416	Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl carbonic acid 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035417	Prostaglandin F-M; 5-Ketone 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035418	p-Mentha-1,3,5-triene-2,3-diol; 3-O-?-D-Glucopyranoside 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035419	p-Mentha-1,8-dien-7-al, 7-Carboxylic acid, ?-D-glucopyranosyl ester 	C16H24O7	328.152203	NA	MeJP	NA	NA
+MJ035420	1,2-Dehydroreticuline 	C19H22NO4	328.154883	NA	MeJP	NA	NA
+MetaCyc02882	1,2-dehydroreticulinium []	C19H22N1O4	328.154883	NA	metacyc	NA	NA
+C06167	1,2-Dehydroreticuline	C19H22NO4	328.1549	NA	KEGG	NA	NA
+2645	synthetic fr, of human beta-CN (193-197) ACE inhibitor	HQIYP	328.1575	MH2+	Inhouse_peptide	NA	peptide
+8234	Antioxidative peptide	AGWNIP	328.15795	MH2+	Inhouse_peptide	NA	peptide
+C12869	Suplatast	C16H26NO4S	328.1583	NA	KEGG	NA	NA
+C12870	Transferred to D01424	C16H26NO4S	328.1583	NA	KEGG	NA	NA
+MJ035421	1-(2-Fluorophenyl)-3-(4-hydroxyphenyl)-2-propen-1-one, O-[2-(Dimethylamino)ethyl]oxime, (Z) 	C19H21FN2O2	328.158706	NA	MeJP	NA	NA
+C07192	Methotrimeprazine	C19H24N2OS	328.1609	NA	KEGG	NA	NA
+C07193	Transferred to D00404	C19H24N2OS	328.1609	NA	KEGG	NA	NA
+MJ035422	Fencarbamide 	C19H24N2OS	328.160934	NA	MeJP	NA	NA
+MJ035423	Methotrimeprazine 	C19H24N2OS	328.160934	NA	MeJP	NA	NA
+MJ035424	1(9),6,13-Xenicatriene-17,18:19,18-diolide, 12,15-Didehydro 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035425	1,12-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid, (19?1) Lactone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035426	10,19-Epoxy-12-hydroxy-6,8,12-icetexatriene-11,14-dione; 10?-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035427	10,19-Epoxy-12-hydroxy-7,9(20),12-icetexatriene-11,14-dione; 10?-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035428	10-(4-Hydroxyphenyl)-3,5,7-decatrien-1-ol, Di-Ac 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035429	11-Hydroxy-12-oxo-7,9(11),13-abietatrien-20,6-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035430	11-Hydroxy-7,9(11),13-abietatriene-2,6,12-trione 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035431	12,16-Epoxy-6,11,14-trihydroxy-5,8,11,13-abietatetraen-7-one; 6-Deoxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035432	15,16-Epoxy-12-oxo-3,13(16),14-clerodatrien-18,6-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035433	15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-19,20-dioic acid; 19-Alcohol, 20?19 lactone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035434	15,16-Epoxy-2-oxo-3,13(16),14-clerodatrien-19,20-olide; ent-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035435	15,16-Epoxy-20-hydroxy-12-oxo-8(17),13(16),14-labdatrien-19-oic acid; 19?20 Lactone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035436	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 18?6 Lactone, 7-oxo 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035437	15,16-Epoxy-6-hydroxy-7-oxo-8,13(16),14-labdatrien-19-oic acid, 19?6 Lactone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035438	15,16-Epoxy-7-oxo-3,13(16),14-clerodatrien-18,19-olide; ent-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035439	17(15?16)-Abeo-12,16-epoxy-11,14-dihydroxy-5,8,11,13-abietatetraen-7-one 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035440	18(4?3)-Abeo-11,14-dioxo-3,8,12-abietatrien-18-oic acid 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035441	18(4?3)-Abeo-14,19-dihydroxy-3,8,11,13-abietatetraen-18,19-olide; 19?-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035442	19(4?3)-Abeo-14,15-dihydroxy-3,8,11,13-abietatetraen-19,18-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035443	19(4?3)-Abeo-14,16-dihydroxy-3,8,11,13-abietatetraen-19,18-olide; 15?-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035444	3,11-Dihydroxy-5,7,9(11),13-abietatetraene-2,12-dione 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035445	3,3',4,4'-Tetrahydroxylignan, 3,4-Methylene, 3'-Me ether 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035446	3,3',4,4'-Tetrahydroxylignan, 3',4'-Methylene, 3-Me ether 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035447	3,6-Dioxo-4,7,11,15-cembratetraen-20,10-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035448	3,6-Dioxo-4,8(19),11,15-cembratetraen-20,10-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035449	3,6-Epoxy-3,5,7,11,15-cembrapentaen-20,10-olide, 11?,12?-Epoxide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035450	3,7,11,15(17)-Cembratetraene-16,2:19,6-diolide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035451	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Methyl-2-butenoyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035452	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035453	4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035454	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Hydroxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035455	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 4'-Hydroxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035456	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Hydroxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035457	5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(3,7-Dimethyl-2,6-octadienyl), 7-O-Me 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035458	5,7-Dihydroxy-8-prenylcoumarin; 7-Me ether, 5-O-(3-methyl-2-butenyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035459	5-(3,7-Dimethyl-2,6-octadienyl)-4,6-dihydroxybenzofuran, 4-Ac 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035460	5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035461	6-Hydroxyfuranoeremophil-1(10)-en-9-one, Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035462	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methyl-2-butenoyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035463	6-Hydroxyfuranoeremophil-9-en-1-one, Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035464	6-Hydroxyfuranoeremophil-9-en-1-one; 6?-form, Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035465	7,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,6-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035466	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-2,6-octadienyl)(E-), O8-Me 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035467	7,8-Dihydroxy-6-prenylcoumarin; 7-Me ether, 8-O-(3-methyl-2-butenyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035468	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,7-Dimethyl-2E,6-octadienyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035469	8,12-Epoxy-3-hydroxy-4,7,11-cadinatrien-9-one; Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035470	8,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,19-olide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035471	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035472	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035473	8-Hydroxy-4(15),9,11(13)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035474	9-Hydroxy-1,8(14),15-isopimaratriene-3,7,11-trione; 9?-form 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035475	9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035476	9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 9-Angeloyl 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035477	Aegyptinone B 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035478	Bengalensol 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035479	Bharangin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035480	Brosiprenin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035481	Cedrelopsin; O-(3-Methyl-2-butenyl) 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035482	Crocetin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035483	Estra-1,3,5(10)-triene-3,17-dicarboxylic acid 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035484	Gelomulide C; 1,2-Didehydro 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035485	Gersemolide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035486	Gersolide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035487	Glycoquinone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035488	Gravelliferone; 8-Methoxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035489	Guaiacin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035490	Guaiaretic acid 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035491	Haplomitrenolide A 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035492	Hebeclinolide 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035493	Hispaninic acid 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035494	Hispanonic acid 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035495	Isogersemolide A 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035496	Jatrophone; 2-Hydroxy, 2-epimer 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035497	Jatrophone; 2?-Hydroxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035498	Jatrophone; 5E-Isomer, 2?-hydroxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035499	Joannesialactone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035500	Kallolide A 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035501	Lanugone A; 19-Hydroxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035502	Lanugone L; 15-Deoxy, 15,16-didehydro 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035503	Lanugone Q 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035504	Marislin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035505	Mutisicoumarin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035506	Pallavicinia 4 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035507	Pinnatin A 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035508	Plectranthone F 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035509	Pleraplysillin 2 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035510	Pulverin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035511	Sapriparaquinone; 3-Oxo 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035512	Sciadin 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035513	Sclareapinone 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035514	Teuvincenone C; 5?,6-Dihydro, 6-deoxy 	C20H24O4	328.167459	NA	MeJP	NA	NA
+MJ035515	Verimol H 	C20H24O4	328.167459	NA	MeJP	NA	NA
+C08588	Crocetin	C20H24O4	328.1675	NA	KEGG	NA	NA
+C09578	Vernoflexin	C20H24O4	328.1675	NA	KEGG	NA	NA
+C15174	Estra-1,3,5-(10)-trien-17-one-3-oxyacetic acid	C20H24O4	328.1675	NA	KEGG	NA	NA
+C15618	Sobetirome	C20H24O4	328.1675	NA	KEGG	NA	NA
+MJ035516	Glomerulatine A; N-De-Me 	C21H20N4	328.168796	NA	MeJP	NA	NA
+3702	NA	VTKFY	328.17	MH2+	Inhouse_peptide	NA	peptide
+C02195	Steryl sulfate	C17H28O4S	328.1708	NA	KEGG	NA	NA
+C02196	Tertiary amine	NR3	328.1708	NA	KEGG	NA	NA
+3047	inhibitor of fibrinogen and thrombin coagulation	GPR	328.174	celiac toxic	Inhouse_peptide	NA	peptide
+3378	ACE inhibitor	GRP	328.174	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000323	PVN 	C14H24N4O5	328.1747	NA	PeJP	NA	NA
+MJ035517	1,6-Didehydro-3,16-dimethoxyerythrinan-15-carboxylic acid; Amide 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+MJ035518	Alstonoxine B; 19-Ketone 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+MJ035519	Aspidodispermine 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+MJ035520	Gelsedine 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+MJ035521	Holidine 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+MJ035522	Labetalol 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+MJ035523	Neolaugerine; 9E-Isomer, 15-hydroxy 	C19H24N2O3	328.178692	NA	MeJP	NA	NA
+C06494	Compound V(S)	C19H24N2O3	328.1787	NA	KEGG	NA	NA
+C07063	Labetalol	C19H24N2O3	328.1787	NA	KEGG	NA	NA
+C14276	4-(3,5-Diphenylcyclohexyl)phenol	C24H24O	328.1827	NA	KEGG	NA	NA
+PJ000324	GPR 	C13H24N6O4	328.1859	NA	PeJP	NA	NA
+MJ035524	2-[(Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl)oxy]ethanol 	C17H28O6	328.188588	NA	MeJP	NA	NA
+MJ035525	Botryaloic acid; 15-Alcohol, 10-carboxylic acid, 4-Ac 	C17H28O6	328.188588	NA	MeJP	NA	NA
+MJ035526	Spiculisporic acid 	C17H28O6	328.188588	NA	MeJP	NA	NA
+MJ035527	3-Ethyl-2,3-dihydro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-oxo-1H-benzimidazole-1-carboxamide 	C18H24N4O2	328.189926	NA	MeJP	NA	NA
+C04379	9,11alpha-Epoxypregn-4-ene-3,20-dione	C21H28O3	328.2038	NA	KEGG	NA	NA
+C04381	DNA 4,6-diamino-5-formamidopyrimidine	C10H16N5O7P	328.2038	NA	KEGG	NA	NA
+C07594	Pyrethrin I	C21H28O3	328.2038	NA	KEGG	NA	NA
+C07595	Transferred to D00571	C21H28O3	328.2038	NA	KEGG	NA	NA
+C14681	16-alpha,17-Epoxypregn-4-ene-3,20-dione	C21H28O3	328.2038	NA	KEGG	NA	NA
+C15130	6beta,19-Epoxypregn-4-ene-3,20-dione	C21H28O3	328.2038	NA	KEGG	NA	NA
+C15187	11beta,12beta-Epoxypregn-4-ene-3,20-dione	C21H28O3	328.2038	NA	KEGG	NA	NA
+C15254	3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol	C21H28O3	328.2038	NA	KEGG	NA	NA
+C15303	(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one	C21H28O3	328.2038	NA	KEGG	NA	NA
+C15443	3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol	C21H28O3	328.2038	NA	KEGG	NA	NA
+MJ035528	1,11-Di-3-furanyl-4,8-dimethyl-6-undecanone, 4,5-Didehydro (E-) 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035529	1,11-Di-3-furanyl-4,8-dimethyl-6-undecanone, 4,5-Didehydro (Z-) 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035530	1-(2,5-Dihydroxyphenyl)-3,7,11-trimethyl-2,6,10-dodecatrien-1-one 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035531	10-Oxo-4,10-seco-2,4,13(15),17-spatatetraen-12-al, 12-Carboxylic acid, Me ester 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035532	11,12-Dihydroxy-5,8,11,13-abietatetraen-7-one; 12-Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035533	12-Hydroxy-3,4-seco-4(18),8,11,13,15-cleistanthapentaen-3-oic acid; ent-form, Me ester 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035534	12-Hydroxy-8,11,13-abietatrien-20,7-olide, Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035535	12-Hydroxypregna-4,16-diene-3,20-dione; 12?-form 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035536	12-Hydroxypregna-4,6-diene-3,20-dione; 12?-form 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035537	13-Hydroxy-8,11,13-totaratriene-1,3-dione; Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035538	15,16-Epoxy-1,3,13(16),14-clerodatetraen-18-oic acid, Me ester 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035539	15-Norphotodeoxytridachione 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035540	18,20-Epoxy-18-hydroxypregna-4,6-dien-3-one 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035541	19(4?3)-Abeo-12-hydroxy-3,8,11,13-abietatetraen-19-oic acid; Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035542	19(4?3)-Abeo-14-hydroxy-3,8,11,13-abietatetraen-18-oic acid; Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035543	2-Oxo-?3-tetrahydrocannabinol 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035544	20-Hydroxy-3-oxopregn-4-en-18-oic acid ?-lactone 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035545	21-Hydroxypregna-4,6-diene-3,20-dione 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035546	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-), 1-Ac 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035547	3-Oxopregna-4,6-dien-18,20-olide; 6,7-Dihydro 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035548	5,6-Secofuranoeremophila-1(10),4-dien-6-ol; O-(3-Methyl-2-pentenoyl) 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035549	5,6-Secofuranoeremophila-1(10),4-dien-6-ol; O-(4-Methyl-2Z-pentenoyl) 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035550	7,20-Epoxy-12-hydroxy-8,11,13-abietatrien-1-one; Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035551	8,11,13-Abietatrien-12-ol; 5?-form, 1,3-Dioxo, Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035552	8,11,13-Abietatriene-11,12,20-triol; 20?11 Lactone, 12-Me ether 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035553	Avarol; 2',5'-Quinone, 3'-hydroxy 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035554	Cannabicoumaronone 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035555	Dihydrofurospongin 2 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035556	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Propanoyl 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035557	Furanoeremophil-1(10)-en-3-ol, 3-(3-Methyl-2-pentenoyl) 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035558	Furospongenol; Ketone 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035559	Furospongin 1; 11,12E-Didehydro 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035560	Furospongolide 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035561	Helioporin B; 14,15-Didehydro 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035562	Helioporin E; 14?,15-Epoxide 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035563	Longithorol C 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035564	Nomegestrol 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035565	Pregn-4-ene-3,11,20-trione 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035566	Puupehenone 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035567	Pyrethrin I 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035568	Renierin A 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035569	Sapranthin 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035570	Strictic acid; Me ester 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MJ035571	Turriculoic acid B, 7'-Aldehyde 	C21H28O3	328.203844	NA	MeJP	NA	NA
+MetaCyc02883	9,11-&alpha;-epoxypregn-4-ene-3,20-dione []	C21H28O3	328.203845	NA	metacyc	NA	NA
+MJ035572	10-Methoxydihydrocorynantheol 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035573	Aspidospermidine, 14?,15?-Dihydroxy, N1-Me 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035574	Camptine 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035575	Hobartidiol 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035576	Ochromianine 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035577	Quinicinol; 10,11-Dihydro 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035578	Tetrahydroakagerine 	C20H28N2O2	328.215078	NA	MeJP	NA	NA
+MJ035579	Ochrosandwine 	C20H29N2O2(+)	328.215078	NA	MeJP	NA	NA
+MJ035580	11,12,13-Trihydroxy-9,15-octadecadienoic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035581	12,13,16-Trihydroxy-9,14-octadecadienoic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035582	12,15,16-Trihydroxy-9,13-octadecadienoic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035583	9,10,13-Trihydroxy-11,15-octadecadienoic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035584	9,10-Dihydroxy-8-oxo-12-octadecenoic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035585	9,10-Epoxyoctadecanedioic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035586	9,12,13-Trihydroxy-10,15-octadecadienoic acid 	C18H32O5	328.224974	NA	MeJP	NA	NA
+MJ035587	Aspicilin 	C18H32O5	328.224974	NA	MeJP	NA	NA
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	HMDB	NA	NA
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR157	2,3-dinor-8-iso-prostaglandinF1a	C18H32O5	328.225	Wishlist	Inhousejuil11	NA	NA
+C14795	2,3-Dinor-8-iso prostaglandin F1alpha	C18H32O5	328.225	NA	KEGG	NA	NA
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.2402	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.2402	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.2402	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.2402	Wishlist	Inhousejuil11	NA	NA
+C06429	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid	C22H32O2	328.2402	NA	KEGG	NA	NA
+C14586	6alpha-Methylprogesterone	C22H32O2	328.2402	NA	KEGG	NA	NA
+C15116	2alpha-Methylpregn-4-ene-3,20-dione	C22H32O2	328.2402	NA	KEGG	NA	NA
+C15265	16beta-Methylpregn-4-ene-3,20-dione	C22H32O2	328.2402	NA	KEGG	NA	NA
+C15299	7alpha-Methyl-4-pregnene-3,20-dione	C22H32O2	328.2402	NA	KEGG	NA	NA
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02183	Docosahexaenoic acid	C22H32O2	328.24023	http://www.hmdb.ca/metabolites/HMDB02183	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02183	Docosahexaenoic acid	C22H32O2	328.24023	http://www.hmdb.ca/metabolites/HMDB02183	HMDB	NA	NA
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	HMDB	NA	NA
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	Inhouse_PFEM	NA	NA
+MJ035588	2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035589	3-Hydroxy-13(17)-mansumbinen-16-one, 3-Ketone 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035590	4,7,10,13,16,19-Docosahexaenoic acid 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035591	6-[3-(1,2-Dimethyl-1-propenyl)-5-isopropylphenyl]-5-hydroxy-2,4-dimethyl-4-hexen-3-one 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035592	8,11,13-Abietatrien-18-ol; Ac 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035593	8,11,13-Abietatrien-19-ol; Ac 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035594	8,11,13-Abietatrien-2-ol; 2?-form, Ac 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035595	Brassicolene 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035596	Grifolin 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035597	Neogrifolin 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035598	Oligandrol 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035599	Piperogalin 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035600	Promestriene 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035601	Senkyunone; Hydroquinone 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035602	Uvarisesquiterpene A 	C22H32O2	328.24023	NA	MeJP	NA	NA
+MJ035603	Uvarisesquiterpene C 	C22H32O2	328.24023	NA	MeJP	NA	NA
+HMDB02183	Docosahexaenoic acid	C22H32O2	328.24023	http://www.hmdb.ca/metabolites/HMDB02183	PFEM_hmdb_metabocards_blood	NA	blood
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR127	n-3docosahexaenoicacid (C22:6) 	C22H32O2	328.24023	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02183	Docosahexaenoic acid	C22H32O2	328.24023	HMDB02183	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02183	Docosahexaenoic acid	C22H32O2	328.240234	NA	HMDB2010	NA	NA
+CJpos0754	Dimethylnonenoylcarnitine  Undecenoylcarnitine [(M+H)]+ (13C)	C1713CH34NO4	328.243775	C18rt(min)=8.94 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0754	Dimethylnonenoylcarnitine  § Undecenoylcarnitine [(M+H)]+ (13C)	C1713CH34NO4	328.243775	C18rt(min)=8.94 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB03116	Stanozolol	C21H32N2O	328.25146	http://www.hmdb.ca/metabolites/HMDB03116	HMDB	NA	NA
+HMDB03116	Stanozolol	C21H32N2O	328.25146	HMDB03116	PFEM_hmdb_metabocards_official	NA	NA
+MJ035604	17-Aminoestra-1,3,5(10)-trien-3-ol; 17?-form, N-(3-Aminopropyl) 	C21H32N2O	328.251463	NA	MeJP	NA	NA
+MJ035605	Stanozolol 	C21H32N2O	328.251463	NA	MeJP	NA	NA
+HMDB03116	Stanozolol	C21H32N2O	328.251465	NA	HMDB2010	NA	NA
+C07311	Stanozolol	C21H32N2O	328.2515	NA	KEGG	NA	NA
+HMDB11534	MG(0:0/16:1(9Z)/0:0)	C19H36O4	328.261353	NA	HMDB2010	NA	NA
+HMDB11565	MG(16:1(9Z)/0:0/0:0)	C19H36O4	328.261353	NA	HMDB2010	NA	NA
+MJ035606	16-Heptadecene-1,2,4-triol, 1-Ac 	C19H36O4	328.261359	NA	MeJP	NA	NA
+MJ035607	16-Heptadecene-1,2,4-triol, 2-Ac 	C19H36O4	328.261359	NA	MeJP	NA	NA
+MJ035608	16-Heptadecene-1,2,4-triol, 4-Ac 	C19H36O4	328.261359	NA	MeJP	NA	NA
+MJ035609	9,12-Dihydroxy-15-nonadecenoic acid 	C19H36O4	328.261359	NA	MeJP	NA	NA
+MJ035610	Conarrhimine; N23-Me 	C22H36N2	328.287849	NA	MeJP	NA	NA
+MJ035611	Conarrhimine; N3-Me 	C22H36N2	328.287849	NA	MeJP	NA	NA
+C02982	L-2-Hydroxyphytanate	C20H40O3	328.2977	NA	KEGG	NA	NA
+MJ035612	19-Hydroxyeicosanoic acid 	C20H40O3	328.297745	NA	MeJP	NA	NA
+MJ035613	2-Hydroxyeicosanoic acid 	C20H40O3	328.297745	NA	MeJP	NA	NA
+MJ035614	2-Phytene-1,12,14-triol 	C20H40O3	328.297745	NA	MeJP	NA	NA
+MJ035615	20-Hydroxyeicosanoic acid 	C20H40O3	328.297745	NA	MeJP	NA	NA
+MJ035616	3-Hydroxyeicosanoic acid 	C20H40O3	328.297745	NA	MeJP	NA	NA
+MetaCyc02884	L-2-hydroxyphytanate []	C20H40O3	328.297745	NA	metacyc	NA	NA
+MJ035617	19-Nor-13(24),16-cheilanthadiene 	C24H40	328.313001	NA	MeJP	NA	NA
+MJ035618	Des-A-lup-9-ene 	C24H40	328.313001	NA	MeJP	NA	NA
+MJ035619	1,21-Heneicosanediol 	C21H44O2	328.33413	NA	MeJP	NA	NA
+MJ035620	6,8-Heneicosanediol 	C21H44O2	328.33413	NA	MeJP	NA	NA
+2727	erythromycin inhibitor	MYMLT	328.6374	MH2+	Inhouse_peptide	NA	peptide
+MJ035621	2-(3,5-Dichloro-2-hydroxyphenyl)-3,4,5-trichloropyrrole 	C10H4Cl5NO	328.873552	NA	MeJP	NA	NA
+MJ035622	Neopyrrolomycin 	C10H4Cl5NO	328.873552	NA	MeJP	NA	NA
+MJ035623	Chlorbetamide 	C11H11Cl4NO2	328.954389	NA	MeJP	NA	NA
+MJ035624	Flumethiazide 	C8H6F3N3O4S2	328.975181	NA	MeJP	NA	NA
+MJ035625	Eudistomidin A 	C15H12BrN3O	329.016374	NA	MeJP	NA	NA
+MJ035626	Eudistomin A; ?1'-Isomer, 3',4'-dihydro 	C15H12BrN3O	329.016374	NA	MeJP	NA	NA
+MJ035627	Zapizolam 	C15H9Cl2N5	329.0235	NA	MeJP	NA	NA
+MJ035628	Fentiazac 	C17H12ClNO2S	329.027727	NA	MeJP	NA	NA
+C11605	NAc-DNP-Cys	C11H11N3O7S	329.0318	NA	KEGG	NA	NA
+C11208	Iprodione	C13H13Cl2N3O3	329.0334	NA	KEGG	NA	NA
+MJ035629	Timofibrate 	C14H16ClNO4S	329.048856	NA	MeJP	NA	NA
+MJ035630	Nitisinone 	C14H10F3NO5	329.051107	NA	MeJP	NA	NA
+CJpos0755	Cyclic AMP [(M+H)]+	C10H13N5O6P	329.051975	C18rt(min)=1.06 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0756	Cyclic AMP [(M+H)]+	C10H13N5O6P	329.051975	C18rt(min)=3.86 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0755	Cyclic AMP [(M+H)]+	C10H13N5O6P	329.051975	C18rt(min)=1.06 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0756	Cyclic AMP [(M+H)]+	C10H13N5O6P	329.051975	C18rt(min)=3.86 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C00575	3',5'-Cyclic AMP	C10H12N5O6P	329.0525	NA	KEGG	NA	NA
+C02353	2',3'-Cyclic AMP	C10H12N5O6P	329.0525	NA	KEGG	NA	NA
+C02507	3',5'-Cyclic dGMP	C10H12N5O6P	329.0525	NA	KEGG	NA	NA
+C02508	3'-Ribonucleotide	C5H10O7PR	329.0525	NA	KEGG	NA	NA
+MJ035631	2-Amino-6-[3-hydroxy-4-(phosphonooxy)-1-butenyl]-4-(1H)-pteridinone 	C10H12N5O6P	329.052519	NA	MeJP	NA	NA
+MJ035632	Cyclic AMP 	C10H12N5O6P	329.052519	NA	MeJP	NA	NA
+MJ035633	2',3'-Cyclic AMP 	C10H12N5O6P	329.052519	NA	MeJP	NA	NA
+MJ035634	3',5'-Cyclic AMP 	C10H12N5O6P	329.052519	NA	MeJP	NA	NA
+HMDB00058	Cyclic AMP	C10H12N5O6P	329.05252	http://www.hmdb.ca/metabolites/HMDB00058	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00058	Cyclic AMP	C10H12N5O6P	329.05252	http://www.hmdb.ca/metabolites/HMDB00058	HMDB	NA	NA
+MetaCyc02885	cyclic-AMP [cyclic 3',5'-AMP;3',5'-cyclic AMP;adenosine cyclic-3',5'-monophosphate;adenosine cyclic-monophosphate;adenosine-cyclic-phosphoric-acid;cAMP;adenosine-cyclic-phosphate;adenosine-3',5'-monophosphate;]	C10H12N5O6P1	329.05252	60-92-4	metacyc	NA	NA
+MetaCyc02886	adenosine 2'3'-cyclic monophosphate [2',3'-Cyclic AMP;]	C10H12N5O6P1	329.05252	9014-63-5	metacyc	NA	NA
+HMDB00058	Cyclic AMP	C10H12N5O6P	329.05252	http://www.hmdb.ca/metabolites/HMDB00058	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00058	Cyclic AMP	C10H12N5O6P	329.05252	HMDB00058	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00058	Cyclic AMP	C10H12N5O6P	329.052521	NA	HMDB2010	NA	NA
+HMDB11616	Adenosine 2',3'-cyclic phosphate	C10H12N5O6P	329.052521	NA	HMDB2010	NA	NA
+CJneg0529	Cyclic AMP [(M-H)]-	C10H11N5O6P	329.053025	C18rt(min)=3.86 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0529	Cyclic AMP [(M-H)]-	C10H11N5O6P	329.053025	C18rt(min)=3.86 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ035635	Meclonazepam 	C16H12ClN3O3	329.056718	NA	MeJP	NA	NA
+MJ035636	Quintiofos 	C17H16NO2PS	329.063935	NA	MeJP	NA	NA
+C11229	Epoxiconazole	C17H13ClFN3O	329.0731	NA	KEGG	NA	NA
+MJ035637	7,8-Dihydro-8-thioxoguanosine; 7-Me 	C11H15N5O5S	329.079389	NA	MeJP	NA	NA
+MJ035638	Auxarconjugatin A, Lower homologue (R = H) 	C18H16ClNO3	329.081871	NA	MeJP	NA	NA
+MJ035639	2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C17H15NO6	329.089937	NA	MeJP	NA	NA
+MJ035640	2-Amino-5-hydroxybenzoic acid; N-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C17H15NO6	329.089937	NA	MeJP	NA	NA
+MJ035641	Citropone C 	C17H15NO6	329.089937	NA	MeJP	NA	NA
+MJ035642	Carburazepam 	C17H16ClN3O2	329.093104	NA	MeJP	NA	NA
+C01069	Desulfoglucotropeolin	C14H19NO6S	329.0933	NA	KEGG	NA	NA
+C01070	Ferricytochrome c-553	C14H19NO6S	329.0933	NA	KEGG	NA	NA
+C01071	Ferrocytochrome c-553	C14H19NO6S	329.0933	NA	KEGG	NA	NA
+MetaCyc02887	desulfoglucotropeolin []	C14H19N1O6S1	329.093308	NA	metacyc	NA	NA
+MetaCyc02888	benzyl-desulfoglucosinolate []	C14H19N1O6S1	329.093308	NA	metacyc	NA	NA
+MJ035643	Opiniazide 	C16H15N3O5	329.10117	NA	MeJP	NA	NA
+MJ035644	Pirolate 	C16H15N3O5	329.10117	NA	MeJP	NA	NA
+MJ035645	Fenprinast 	C16H16ClN5O	329.104337	NA	MeJP	NA	NA
+CJneg0530	Methylinosine [(M-H)+(HCOOH)]- (13C)	C1113CH15N4O7	329.105825	C18rt(min)=4.45 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0530	Methylinosine [(M-H)+(HCOOH)]- (13C)	C1113CH15N4O7	329.105825	C18rt(min)=4.45 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ035646	Acaprazine 	C15H21Cl2N3O	329.106167	NA	MeJP	NA	NA
+HMDB10329	Dopamine glucuronide	C14H19NO8	329.111053	NA	HMDB2010	NA	NA
+MJ035647	4-(2-Nitroethyl)phenol; O-?-D-Glucopyranoside 	C14H19NO8	329.111066	NA	MeJP	NA	NA
+MJ035648	Lithospermoside 	C14H19NO8	329.111066	NA	MeJP	NA	NA
+C17771	Lithospermoside	C14H19NO8	329.1111	NA	KEGG	NA	NA
+PJ000325	ACH 	C12H19N5O4S	329.1158	NA	PeJP	NA	NA
+C11569	2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol	C20H15N3O2	329.1164	NA	KEGG	NA	NA
+MJ035649	Angustine; 10-Hydroxy 	C20H15N3O2	329.116426	NA	MeJP	NA	NA
+MJ035650	Coscinamide A; Debromo 	C20H15N3O2	329.116426	NA	MeJP	NA	NA
+MJ035651	Naucletine 	C20H15N3O2	329.116426	NA	MeJP	NA	NA
+MJ035652	6-Chloro-2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)-1H-3-benzazepine-7,8-diol 	C19H20ClNO2	329.118256	NA	MeJP	NA	NA
+MJ035653	Odapipam 	C19H20ClNO2	329.118256	NA	MeJP	NA	NA
+MJ035654	Ufiprazole 	C17H19N3O2S	329.119797	NA	MeJP	NA	NA
+C10722	Melicopicine	C18H19NO5	329.1263	NA	KEGG	NA	NA
+C12165	3-O-Acetylhamayne	C18H19NO5	329.1263	NA	KEGG	NA	NA
+C12166	1-O-Acetyllycorine	C18H19NO5	329.1263	NA	KEGG	NA	NA
+MJ035655	1,2,3,4-Tetramethoxy-10-methylacridone 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035656	3-Hydroxy-5-methyl-1-naphthalenecarboxylic acid; Me ether, [1-(aminocarbonyl)-2,3-epoxy-2-methylpropyl] ester(1S,2S-) 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035657	Cephalotaxine, 8-Oxo 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035658	Choisyine 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035659	Distichamine 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035660	Dopamine; N-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035661	Flindersine; 8-Methoxy, N-(acetoxymethyl) 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035662	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2,3-Epoxy-3-methylbutyl), 4,8-di-Me ether 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035663	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2-Hydroxy-3-methyl-3-butenyl), 4,8-di-Me ether 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035664	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(3-Methyl-2-oxobutyl), 4,8-di-Me ether 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035665	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(4-Hydroxy-3-methyl-2Z-butenyl), 4,8-di-Me ether 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035666	Hamayne; O3-Ac 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035667	Heptaphylline; 2',3'-Dihydro, 2',3',8-trihydroxy 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035668	Heptaphylline; 2',3'-Dihydro, 2'?,3',7-trihydroxy 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035669	Hernandine 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035670	Hippeastrine, Me ether 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035671	Krigeine; 5-Deoxy, 7-ketone (lactone) 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035672	Lycorine, O1-Ac 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035673	Lycorine, O2-Ac 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035674	Macronine 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035675	Megistosarconine 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035676	N-Deacetylcolchicine, O2,O3-Di-de-Me 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035677	Octopamine, N-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035678	Octopamine, N-(4-Hydroxy-3-methoxy-Z-cinnamoyl) 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035679	Perfamine, 5-Hydroxy 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035680	Roxiamine A 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035681	Varadine 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035682	?-Benzyl-1,3,3a,4,5,6,7,7a-octahydro-3a-methyl-1,3-dioxo-4,7-epoxyisoindole-2-acetic acid 	C18H19NO5	329.126322	NA	MeJP	NA	NA
+MJ035683	Clodazon 	C18H20ClN3O	329.129489	NA	MeJP	NA	NA
+MJ035684	Hikosamine 	C11H23NO10	329.132195	NA	MeJP	NA	NA
+PJ000326	SSH 	C12H19N5O6	329.1335	NA	PeJP	NA	NA
+MJ035685	Mazethramycin A 	C17H19N3O4	329.137556	NA	MeJP	NA	NA
+MJ035686	2,3-Bis(4-methoxyphenyl)-1H-indole 	C22H19NO2	329.141578	NA	MeJP	NA	NA
+C07415	Paroxetine	C19H20FNO3	329.1427	NA	KEGG	NA	NA
+MJ035687	Paroxetine 	C19H20FNO3	329.142721	NA	MeJP	NA	NA
+MJ035688	Meprotixol 	C19H23NO2S	329.144949	NA	MeJP	NA	NA
+MJ035689	N2-[(2-Quinolinyl)carbonyl]arginine 	C16H19N5O3	329.148789	NA	MeJP	NA	NA
+MJ035690	Cloperastine 	C20H24ClNO	329.154642	NA	MeJP	NA	NA
+MJ035691	Valclavam 	C14H23N3O6	329.158685	NA	MeJP	NA	NA
+C06668	Valclavam	C14H23N3O6	329.1587	NA	KEGG	NA	NA
+PJ000327	PVD 	C14H23N3O6	329.1587	NA	PeJP	NA	NA
+C02105	(S)-Reticuline	C19H23NO4	329.1627	NA	KEGG	NA	NA
+C05178	(R)-Reticuline	C19H23NO4	329.1627	NA	KEGG	NA	NA
+C05220	5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol	C19H23NO4	329.1627	NA	KEGG	NA	NA
+C05223	Dodecanoyl-[acyl-carrier protein]	C12H23OSR	329.1627	NA	KEGG	NA	NA
+C05226	N-Carbamoyl-D-amino acid	C3H5N2O3R	329.1627	NA	KEGG	NA	NA
+C05227	UDP-sugar	C3H5N2O3R	329.1627	NA	KEGG	NA	NA
+C09643	Sinomenine	C19H23NO4	329.1627	NA	KEGG	NA	NA
+C10852	Cinnamoylcocaine	C19H23NO4	329.1627	NA	KEGG	NA	NA
+C12328	Reticuline	C19H23NO4	329.1627	NA	KEGG	NA	NA
+C17899	Isosinomenine	C19H23NO4	329.1627	NA	KEGG	NA	NA
+MJ035692	5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035693	(R)-Reticuline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035694	(S)-Reticuline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035695	4-Nitroestrone; Me ether 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035696	8,14-Dihydrosalutaridine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035697	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Cinnamoyl(E-), 6-Ac 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035698	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-Cinnamoyl(Z-), 6-Ac 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035699	Annonelliptine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035700	Anomuricine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035701	Bernumicine; 3'-O-De-Me 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035702	Cepharamine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035703	Cohirsinine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035704	Crassifolazonine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035705	Crassifoline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035706	Dehassiline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035707	Ecgonine, O-(Z-Cinnamoyl), Me ester 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035708	Erysodienone, 2-Alcohol, O16-Me 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035709	Erysotrine, N-Oxide 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035710	Erythrartine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035711	Erythratidine; 2-Ketone 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035712	Galanthamine, Ac 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035713	Haplotubinone 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035714	Hirsutine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035715	Ocobotrine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035716	Orientaline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035717	Orientalinone, 11,12-Dihydro 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035718	Orientalinone, 13-Epimer, 8,9-dihydro 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035719	Pallidinine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035720	Protosinomenine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035721	Regecoline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035722	Reticuline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035723	Robustidine; 2-Deoxy, 1?,6?-epoxide, Me ether 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035724	Robustiline 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035725	Salutaridine, 5,6-Dihydro 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035726	Schelhammericine, 3-Epimer, 12?-hydroxy 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035727	Schelhammerine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035728	Sendaverine; 3'-Hydroxy, O7-Me 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035729	Sinomenine 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MJ035730	Stepharinosine; Me ether 	C19H23NO4	329.162708	NA	MeJP	NA	NA
+MetaCyc02889	salutaridinol [5,6,8,14-tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol;]	C19H23N1O4	329.162708	NA	metacyc	NA	NA
+MetaCyc02890	(S)-reticuline [1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol;]	C19H23N1O4	329.162708	NA	metacyc	NA	NA
+MetaCyc02891	(R)-reticuline [(+)-reticuline;]	C19H23N1O4	329.162708	3968-19-2	metacyc	NA	NA
+HMDB03601	(S)-Reticuline	C19H23NO4	329.16272	http://www.hmdb.ca/metabolites/HMDB03601	HMDB	NA	NA
+HMDB03601	(S)-Reticuline	C19H23NO4	329.16272	HMDB03601	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03601	(S)-Reticuline	C19H23NO4	329.16272	NA	HMDB2010	NA	NA
+MJ035731	N-Cyclopentyl-N-(3-mercapto-2-methylpropionyl)glycine, S-(2,2-Dimethylpropanoyl) 	C16H27NO4S	329.166079	NA	MeJP	NA	NA
+MJ035732	Buquiterine 	C18H23N3O3	329.173941	NA	MeJP	NA	NA
+2803	PEP inhibitor	LPPPVH	329.183	MH2+	Inhouse_peptide	NA	peptide
+2804	PEP inhibitor	PPPVHL	329.183	MH2+	Inhouse_peptide	NA	peptide
+2806	PEP inhibitor	HLPPPV	329.183	MH2+	Inhouse_peptide	NA	peptide
+3517	ACE inhibitor	PPPVHL	329.183	MH2+	Inhouse_peptide	NA	peptide
+3527	ACE inhibitor	VHLPPP	329.183	MH2+	Inhouse_peptide	NA	peptide
+C10301	Europine	C16H27NO6	329.1838	NA	KEGG	NA	NA
+MJ035733	Europine 	C16H27NO6	329.183837	NA	MeJP	NA	NA
+MJ035734	Heliotrine; N-Oxide 	C16H27NO6	329.183837	NA	MeJP	NA	NA
+MJ035735	Quinazosin 	C17H23N5O2	329.185175	NA	MeJP	NA	NA
+MJ035736	Sunepitron 	C17H23N5O2	329.185175	NA	MeJP	NA	NA
+MJ035737	Aspergillus oryzae Cysteine protease inhibitors; CPI 3 	C15H27N3O5	329.19507	NA	MeJP	NA	NA
+MJ035738	Fortimicin AH 	C15H27N3O5	329.19507	NA	MeJP	NA	NA
+PJ000328	PTL 	C15H27N3O5	329.1951	NA	PeJP	NA	NA
+MJ035739	1-(Aminomethyl)-3,4-dihydro-3-tricyclo[3.3.1.13,7]dec-1-yl-1H-2-benzopyran-5,6-diol 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035740	1-[9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl]pyrrolidine, 2,3,4,5-Tetrahydro 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035741	4-(2-Aminoethyl)phenol; N-Jasmonoyl 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035742	9-(3,4-Methylenedioxyphenyl)-2,4-nonadienoic acid, 2-Methylpropylamide 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035743	Acorientine 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035744	Delfissinol 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035745	Hetisine 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035746	Kobusine; 19-Hydroxy 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035747	Kobusine; 20-Hydroxy 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035748	Kobusine; 6-Hydroxy 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035749	Lucidinine; Me ether 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035750	Pipercallosine 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035751	Retrofractamides; Retrofractamide A, 4,5-Dihydro 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035752	Ryosenaminol 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035753	Sanyonamine; 11?-Hydroxy 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035754	Songorine; N-De-Et 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035755	Souline F 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035756	Tatsirine 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035757	Taxodine; 3-Epimer, Me ether 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035758	Taxodine; Me ether 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+MJ035759	Trilostane 	C20H27NO3	329.199093	NA	MeJP	NA	NA
+C08687	Hetisine	C20H27NO3	329.1991	NA	KEGG	NA	NA
+MJ035760	Prenylamine 	C24H27N	329.214349	NA	MeJP	NA	NA
+HMDB13202	6-Keto-decanoylcarnitine	C17H31NO5	329.220215	NA	HMDB2010	NA	NA
+MJ035761	N-Ethylhastanecine trachelanthate 	C17H32NO5(+)	329.220223	NA	MeJP	NA	NA
+PJ000329	VVL 	C16H31N3O4	329.2315	NA	PeJP	NA	NA
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR389	Testosterone F3	NA	329.234075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR389	Testosterone F3	NA	329.234075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR389	Testosterone F3	NA	329.234075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR389	Testosterone F3	NA	329.234075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR389	Testosterone F3	F3	329.234075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ035762	17-Aminoestra-1,3,5(10)-trien-3-ol; 17?-form, N-(3-Hydroxypropyl) 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035763	Androisoxazole 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035764	Bornaprine 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035765	Daphnicamine 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035766	Fronepidil 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035767	Gitingensine 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035768	Himbadine 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+MJ035769	hipyran A 	C21H31NO2	329.235479	NA	MeJP	NA	NA
+C15133	4-Methyl-4-aza-5-pregnene-3,20-dione	C21H31NO2	329.2355	NA	KEGG	NA	NA
+C15149	17beta-Acetamidoandrost-4-en-3-one	C21H31NO2	329.2355	NA	KEGG	NA	NA
+CJpos0757	Dimethylnonenoylcarnitine  Undecenoylcarnitine [(M+H)]+ (18O)	C18H34NO318O	329.244675	C18rt(min)=8.94 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0757	Dimethylnonenoylcarnitine  § Undecenoylcarnitine [(M+H)]+ (18O)	C18H34NO318O	329.244675	C18rt(min)=8.94 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB06202	4,8 dimethylnonanoyl carnitine	C18H35NO4	329.25662	http://www.hmdb.ca/metabolites/HMDB06202	HMDB	NA	NA
+HMDB06202	4,8 dimethylnonanoyl carnitine	C18H35NO4	329.25662	HMDB06202	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06202	4,8 dimethylnonanoyl carnitine	C18H35NO4	329.256622	NA	HMDB2010	NA	NA
+HMDB13321	Undecanoylcarnitine	C18H35NO4	329.256622	NA	HMDB2010	NA	NA
+MJ035770	20-Aminopregn-4-en-3-one, N-Me 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035771	3-Aminopregn-17(20)-en-16-one, N-Me 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035772	3-Aminopregn-5-en-16-one; 3?-form, N-Me 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035773	3-Aminopregn-5-en-20-one; 3?-form, N-Me 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035774	3-Aminopregna-5,16-dien-20-ol, N-Me 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035775	Latifoline 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035776	Pipoctanone 	C22H35NO	329.271864	NA	MeJP	NA	NA
+MJ035777	Bucainide 	C21H35N3	329.283098	NA	MeJP	NA	NA
+MJ035778	Homopiptanthine 	C21H35N3	329.283098	NA	MeJP	NA	NA
+MJ035779	Jamine 	C21H35N3	329.283098	NA	MeJP	NA	NA
+C10768	Jamine	C21H35N3	329.2831	NA	KEGG	NA	NA
+MJ035780	Penaresidin A 	C19H39NO3	329.292994	NA	MeJP	NA	NA
+MJ035781	Penaresidin B 	C19H39NO3	329.292994	NA	MeJP	NA	NA
+HMDB06752	Dihydroceramide	C19H39NO3	329.292999	NA	HMDB2010	NA	NA
+HMDB06752	Dihydroceramide	C19H39NO3	329.293	http://www.hmdb.ca/metabolites/HMDB06752	HMDB	NA	NA
+HMDB06752	Dihydroceramide	C19H39NO3	329.293	HMDB06752	PFEM_hmdb_metabocards_official	NA	NA
+3519	ACE inhibitor from as1-CN	AYFYP	329.6415	MH2+	Inhouse_peptide	NA	peptide
+MJ035782	8-Bromo-5,6-dichloro-2-chloromethylene-6-methyl-3,7-octadienal 	C10H10BrCl3O	329.89806	NA	MeJP	NA	NA
+C14744	Dacthal	C10H6Cl4O4	329.902	NA	KEGG	NA	NA
+MJ035783	5,6-Dibromotryptamine; Nb-Me 	C11H12Br2N2	329.936723	NA	MeJP	NA	NA
+MJ035784	1,1-Dibromo-2,4-heptanediol; 4-Ac 	C9H16Br2O3	329.946619	NA	MeJP	NA	NA
+C11702	Tienilic acid	C13H8Cl2O4S	329.952	NA	KEGG	NA	NA
+MJ035785	Tienilic acid 	C13H8Cl2O4S	329.952034	NA	MeJP	NA	NA
+MJ035786	Chloro(2-hydroxyphenyl)mercury 	C6H5ClHgO	329.973518	NA	MeJP	NA	NA
+MJ035787	2-Bromo-1,3,5-benzenetriol; Tri-Ac 	C12H11BrO6	329.9739	NA	MeJP	NA	NA
+C14389	1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane	C15H13Cl3O2	329.9981	NA	KEGG	NA	NA
+MJ035788	2,2',4,4',6,6'-Biphenylhexol; 2-O-Sulfate 	C12H10O9S	330.004552	NA	MeJP	NA	NA
+MJ035789	Furosemide 	C12H11ClN2O5S	330.007719	NA	MeJP	NA	NA
+HMDB01933	Furosemide	C12H11ClN2O5S	330.00772	http://www.hmdb.ca/metabolites/HMDB01933	HMDB	NA	NA
+HMDB01933	Furosemide	C12H11ClN2O5S	330.00772	HMDB01933	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01933	Furosemide	C12H11ClN2O5S	330.007721	NA	HMDB2010	NA	NA
+C00113	PQQ	C14H6N2O8	330.0124	NA	KEGG	NA	NA
+MJ035790	Methoxatin 	C14H6N2O8	330.012415	NA	MeJP	NA	NA
+MJ035791	PQQ 	C14H6N2O8	330.012415	NA	MeJP	NA	NA
+MetaCyc02892	pyrroloquinoline quinone [PQQ;methoxatin;]	C14H6N2O8	330.012415	72909-34-3	metacyc	NA	NA
+MJ035792	5-(2-Bromoethenyl)-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1H,3H)-pyrimidinedione 	C12H15BrN2O4	330.021519	NA	MeJP	NA	NA
+C11226	Fenarimol	C17H12Cl2N2O	330.0327	NA	KEGG	NA	NA
+MJ035793	Malathion 	C10H19O6PS2	330.036066	NA	MeJP	NA	NA
+C07497	Malathion	C10H19O6PS2	330.0361	NA	KEGG	NA	NA
+C00943	3',5'-Cyclic IMP	C10H11N4O7P	330.0365	NA	KEGG	NA	NA
+HMDB11680	Inosine 2',3'-cyclic phosphate	C10H11N4O7P	330.03653	NA	HMDB2010	NA	NA
+MJ035794	Eudistalbin B 	C16H15BrN2O	330.036775	NA	MeJP	NA	NA
+MJ035795	1,5,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035796	2,6-Dihydroxy-1,7-dimethoxybenzofuro[4,3,2-def][2]benzoxepin-8,10-dione 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035797	3,5,6,8-Tetrahydroxy-1-methyl-2-anthraquinonecarboxylic acid 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035798	3,6,7,8-Tetrahydroxy-1-methyl-2-anthraquinonecarboxylic acid 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035799	Blighinone 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035800	Ellagic acid; 2,3-Di-Me ether 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035801	Ellagic acid; 2,7-Di-Me ether 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035802	Ellagic acid; 2,8-Di-Me ether 	C16H10O8	330.037567	NA	MeJP	NA	NA
+MJ035803	Ellagic acid; 3,8-Di-Me ether 	C16H10O8	330.037567	NA	MeJP	NA	NA
+C13835	NS 1608	C14H10ClF3N2O2	330.0383	NA	KEGG	NA	NA
+MJ035804	2,10-Dibromo-3-chloro-7(14),9-chamigradien-8-ol; 8-Ketone,10-debromo 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035805	Bisezakyne A 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035806	Hurgadenyne 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035807	Laurepinnacin 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035808	Obtusenyne 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035809	Pinnatifidenyne 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035810	Rogiolenyne D 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035811	Rogioloxepane A 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035812	Srilankenyne 	C15H20BrClO	330.038605	NA	MeJP	NA	NA
+MJ035813	2-(Diethylamino)ethyl 4-bromo-N-hydroxybenzenecarboximidothioate 	C13H19BrN2OS	330.040146	NA	MeJP	NA	NA
+MJ035814	Lissoclin C 	C15H15BrN4	330.048009	NA	MeJP	NA	NA
+MJ035815	2-Cyclohexyl-4-iodo-3,5-dimethylphenol 	C14H19IO	330.048058	NA	MeJP	NA	NA
+MJ035816	Bulgarhodin; 2-Deoxy 	C20H10O5	330.052823	NA	MeJP	NA	NA
+MJ035817	Valdivione 	C20H10O5	330.052823	NA	MeJP	NA	NA
+MJ035818	Pirazolac 	C17H12ClFN2O2	330.057133	NA	MeJP	NA	NA
+MJ035819	Nikkomycin Sox 	C12H14N2O9	330.06993	NA	MeJP	NA	NA
+MJ035820	Nikkomycin Soz 	C12H14N2O9	330.06993	NA	MeJP	NA	NA
+MJ035821	Almecillin 	C13H18N2O4S2	330.070798	NA	MeJP	NA	NA
+C17405	Penicillin O	C13H18N2O4S2	330.0708	NA	KEGG	NA	NA
+FL2FQUNS0001	Remerin	C17H14O7	330.07395	41093-65-6	knapsack	NA	NA
+FL3F2GNS0004	6,7,4'-Trihydroxy-3',5'-dimethoxyflavone;6,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	177602-71-0	knapsack	NA	NA
+FL3F98NS0015	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone;2-(4,5-Dihydroxy-2-methoxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	133538-68-8	knapsack	NA	NA
+FL3FAINS0001	Tricin;5,7,4'-Trihydroxy-3',5'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	520-32-1	knapsack	NA	NA
+FL3FAKNS0001	Apometzgerin;Tricetin 3',4'-dimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	76900-87-3	knapsack	NA	NA
+FL3FALNS0008	Isoetin 5,7-dimethyl ether	C17H14O7	330.07395	145194-17-8	knapsack	NA	NA
+FL3FECNS0001	Cirsiliol	C17H14O7	330.07395	34334-69-5	knapsack	NA	NA
+FL3FECNS0008	6-Hydroxyluteolin 5,6-dimethyl ether	C17H14O7	330.07395	88153-47-3	knapsack	NA	NA
+FL3FECNS0009	Jaceosidin	C17H14O7	330.07395	18085-97-7	knapsack	NA	NA
+FL3FECNS0010	Desmethoxycentaureidin;5,7,3'-Trihydroxy-6,4'-dimethoxyflavone;Demethoxycentaureidin;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	22934-99-2	knapsack	NA	NA
+FL3FECNS0011	6-Hydroxyluteolin 7,3'-dimethyl ether;5,6,4'-Trihydroxy-7,3'-dimethoxyflavone;5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	25782-25-6	knapsack	NA	NA
+FL3FECNS0012	Nuchensin;5,6,3'-Trihydroxy-7,4'-dimethoxyflavone;5,6-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	25782-24-5	knapsack	NA	NA
+FL3FELNS0007	Tamaridone	C17H14O7	330.07395	32396-92-2	knapsack	NA	NA
+FL3FF8NS0007	Rehderianin I	C17H14O7	330.07395	90965-30-3	knapsack	NA	NA
+FL3FF8NS0008	Viscidulin II	C17H14O7	330.07395	92519-93-2	knapsack	NA	NA
+FL3FF8NS0009	5,7,2'-Trihydroxy-8,6'-dimethoxyflavone	C17H14O7	330.07395	92519-90-9	knapsack	NA	NA
+FL3FFCNS0004	Hypolaetin 8,3'-dimethyl ether;5,7,4'-Trihydroxy-8,3'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	24126-72-5	knapsack	NA	NA
+FL3FG8NS0002	5,8,2'-Trihydroxy-6,7-dimethoxyflavone	C17H14O7	330.07395	77056-21-4	knapsack	NA	NA
+FL3FG8NS0007	5,7,2'-trihydroxy-6,8-dimethoxyflavone;5,7-Dihydroxy-2-(2-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	159359-22-5	knapsack	NA	NA
+FL3FGANS0003	Desmethoxysudachitin;5,7,4'-Trihydroxy-6,8-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	4323-80-2	knapsack	NA	NA
+FL3FGANS0004	Thymusin;5,6-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	76844-66-1	knapsack	NA	NA
+FL3FGANS0005	5,6,8-Trihydroxy-7,4'-dimethoxyflavone	C17H14O7	330.07395	125140-33-2	knapsack	NA	NA
+FL3FGANS0012	Isothymusin;5,8-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	98755-25-0	knapsack	NA	NA
+FL3FGANS0013	5,6,7-Trihydroxy-8,4'-dimethoxyflavone;5,6,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	142846-83-1	knapsack	NA	NA
+FL4DAANS0002	Aromadendrin 3-acetate	C17H14O7	330.07395	62458-55-3	knapsack	NA	NA
+FL4DPTNS0004	5-Methoxypeltogynone	C17H14O7	330.07395	38279-47-9	knapsack	NA	NA
+FL4DPTNS0005	5-Methoxymopanone	C17H14O7	330.07395	38279-50-4	knapsack	NA	NA
+FL5F1GNS0003	Laurentinol;3,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	244248-20-2	knapsack	NA	NA
+FL5F3CNS0004	7,3',4'-Trihydroxy-3,8-dimethoxyflavone	C17H14O7	330.07395	38510-52-0	knapsack	NA	NA
+FL5F3CNS0005	7,8,4'-Trihydroxy-3,3'-dimethoxyflavone;7,8-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	149981-96-4	knapsack	NA	NA
+FL5FA8NS0005	3,5,2'-Trihydroxy-7,5'-dimethoxyflavone;3,5-Dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	74161-18-5	knapsack	NA	NA
+FL5FA9NS0008	Morelosin	C17H14O7	330.07395	62008-19-9	knapsack	NA	NA
+FL5FAFNS0001	Dillenetin;3',4'-Dimethoxyquercetin;3,5,7-Trihydroxy-3',4'-dimethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	3306-29-4	knapsack	NA	NA
+FL5FBDNS0001	Quercetin 5,3'-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	40554-94-7	knapsack	NA	NA
+FL5FBENS0001	Quercetin 5,4'-dimethyl ether	C17H14O7	330.07395	100648-56-4	knapsack	NA	NA
+FL5FCDNS0001	Rhamnazin;3,4',5-Trihydroxy-3',7-dimethoxyflavone;7,3'-Di-O-methylquercetin;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	552-54-5	knapsack	NA	NA
+FL5FCENS0001	Ombuin;3,5,3'-Trihydroxy-7,4'-dimethoxyflavone;4',7-Dimethylquercetin;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	529-40-8	knapsack	NA	NA
+FL5FDCNM0001	6-C-Methylquercetin 3-methyl ether	C17H14O7	330.07395	156298-98-5	knapsack	NA	NA
+FL5FDCNM0002	8-C-Methylquercetin 3-methyl ether	C17H14O7	330.07395	82318-51-2	knapsack	NA	NA
+FL5FDCNS0002	Caryatin;3,5-Di-O-Methylquercetin;2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	1486-66-4	knapsack	NA	NA
+FL5FDCNS0003	Quercetin 3,7-dimethyl ether;5,3',4'-Trihydroxy-3,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	02/02/2068	knapsack	NA	NA
+FL5FDDNS0001	Quercetin 3,3'-dimethyl ether;5,7,4'-Trihydroxy-3,3'-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	4382-17-6	knapsack	NA	NA
+FL5FDENS0001	Quercetin 3,4'-dimethyl ether;5,7,3'-Trihydroxy-3,4'-dimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	33429-83-3	knapsack	NA	NA
+FL5FEANS0008	5,7,4'-Trihydroxy-3,6-dimethoxyflavone;6-Methoxykaempferol 3-methyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	22697-65-0	knapsack	NA	NA
+FL5FEANS0009	5,6,4'-Trihydroxy-3,7-dimethoxyflavone;6-Hydroxykaempferol 3,7-dimethyl ether;5,6-Dihydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	56226-95-0	knapsack	NA	NA
+FL5FEANS0010	6-Hydroxykaempferol 5,6-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	87339-62-6	knapsack	NA	NA
+FL5FEANS0011	Eupalitin;6,7-Dimethoxy-3,5,4'-trihydroxyflavone;Betuletol;3,5-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	29536-41-2	knapsack	NA	NA
+FL5FEANS0012	Betuletol;6,4'-Dimethoxy-3,5,7-trihydroxyflavone;3,5,7-Trihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	35214-88-1	knapsack	NA	NA
+FL5FEANS0013	3,5,6-Trihydroxy-7,4'-dimethoxyflavone;3,5,6-Trihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	99499-82-8	knapsack	NA	NA
+FL5FEANS0020	5,6,7-Trihydroxy-3,4'-dimethoxyflavone;6-Hydroxykaempferol 3,4'-dimethyl ether;5,6,7-Trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	148323-92-6	knapsack	NA	NA
+FL5FFANS0007	Herbacetin 3,7-dimethyl ether;3,7-Dimethylherbacetin;5,8-Dihydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	56305-03-4	knapsack	NA	NA
+FL5FFANS0008	Herbacetin 3,8-dimethyl ether;5,7,4'-Trihydroxy-3,8-dimethoxyflavone;3,8-Dimethylherbacetin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	14965-09-4	knapsack	NA	NA
+FL5FFANS0009	Herbacetin 7,8-dimethyl ether;3,5,4'-Trihydroxy-7,8-dimethoxyflavone;3,5-Dihydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O7	330.07395	71468-52-5	knapsack	NA	NA
+FL5FFANS0010	Herbacetin 7,4'-dimethyl ether	C17H14O7	330.07395	70703-48-9	knapsack	NA	NA
+FL5FFANS0011	Prudomestin;3,5,7-Trihydroxy-4',8-dimethoxyflavone;3,5,7-Trihydroxy-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	3443-28-5	knapsack	NA	NA
+FL5FFANS0023	5,7,8-Trihydroxy-3,4'-dimethoxyflavone;5,7,8-Trihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C17H14O7	330.07395	97389-86-1	knapsack	NA	NA
+FL5FG9NS0001	3,5,7-Trihydroxy-6,8-dimethoxyflavone;3,5,7-Trihydroxy-6,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C17H14O7	330.07395	33183-51-6	knapsack	NA	NA
+FL5FG9NS0008	5,7,8-Trihydroxy-3,6-dimethoxyflavone	C17H14O7	330.07395	-	knapsack	NA	NA
+FL63ACNM0002	Dryopterin	C17H14O7	330.07395	79214-53-2	knapsack	NA	NA
+FLIAALNS0009	2'-Hydroxy-5'-methoxybiochanin A;5,7,2'-Trihydroxy-4',5'-dimethoxyisoflavone	C17H14O7	330.07395	122127-74-6	knapsack	NA	NA
+FLIAE8NS0003	Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone	C17H14O7	330.07395	479-97-0	knapsack	NA	NA
+FLIAECNS0001	Iristectorigenin A;5,7,3'-Trihydroxy-6,4'-dimethoxyisoflavone	C17H14O7	330.07395	37744-62-0	knapsack	NA	NA
+FLIAECNS0002	Iristectorigenin B;5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone	C17H14O7	330.07395	39012-01-6	knapsack	NA	NA
+FLIAECNS0010	6-Methoxyorobol 7-methyl ether;5,3',4'-Trihydroxy-6,7-dimethoxyisoflavone	C17H14O7	330.07395	111514-77-3	knapsack	NA	NA
+FLIAFCNS0001	5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone	C17H14O7	330.07395	56419-18-2	knapsack	NA	NA
+FLIDECNS0001	Trifolian;1,3-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan	C17H14O7	330.07395	73520-83-9	knapsack	NA	NA
+FLIDHXNS0004	Hildecarpin;3,6a-Dihydroxy-2-methoxy-8,9-methylenedioxypterocarpan	C17H14O7	330.07395	99624-64-3	knapsack	NA	NA
+FLIDHXNS0011	Tephrocarpin;3,6a-Dihydroxy-4-methoxy-8,9-methylenedioxypterocarpan	C17H14O7	330.07395	87402-98-0	knapsack	NA	NA
+FLIFHXNS0006	(-)-4,11,12a-Trihydroxy-9-methoxyrotenone	C17H14O7	330.07395	106915-81-5	knapsack	NA	NA
+FLNAFCNS0002	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin	C17H14O7	330.07395	123297-24-5	knapsack	NA	NA
+MJ035822	1,2,3,4,5-Pentahydroxyanthraquinone; 1,2(or 3),4-Tri-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035823	1,2,3,5,7-Pentahydroxy-6-methylanthraquinone; 2,3-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035824	1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 1,3-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035825	1,2,3,5,8-Pentahydroxy-7-methylanthraquinone; 1,3-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035826	1,2,3,5-Tetrahydroxy-6-hydroxymethylanthraquinone; 1,3-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035827	1,2,3,6,7-Pentahydroxyxanthone; 1,2,3-Tri-Me, 6,7-methylene ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035828	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035829	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,3-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035830	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,3-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035831	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035832	1,2,3,7,8-Pentahydroxyxanthone; 2,3-Methylene, 1,7,8-tri-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035833	1,2,3,8,9-Pentahydroxypterocarpan, 2-Me, 8,9-methylene ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035834	1,2,4,5-Tetrahydroxy-7-hydroxymethylanthraquinone; 2,5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035835	1,3,4,5,6-Pentahydroxy-2-methylanthraquinone; 4,5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035836	1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 4,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035837	1,3,4,6,7-Pentahydroxyxanthone; 1,3,4-Tri-Me, 6,7-methylene ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035838	1,3,6,7-Tetrahydroxyxanthone; 3,7-Di-Me ether, 6-Ac 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035839	1,4,5,7-Tetrahydroxy-2-(1-hydroxypropyl)anthraquinone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035840	2',3',5,6,7-Pentahydroxyisoflavone; 2',5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035841	2',3',5,6,7-Pentahydroxyisoflavone; 2',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035842	2',3',5,7,8-Pentahydroxyisoflavone; 2',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035843	2',3,4',5,7-Pentahydroxyflavone; 2',4'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035844	2',3,5,5',7-Pentahydroxyflavone; 5',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035845	2',4',5,5',6-Pentahydroxyflavone; 2',6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035846	2',4',5,5',7-Pentahydroxyflavone; 4',5'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035847	2',4',5,5',7-Pentahydroxyflavone; 5,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035848	2',4',5,5',7-Pentahydroxyisoflavanone, 4',5'-Methylene, 2'-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035849	2',4',5,5',7-Pentahydroxyisoflavone; 4',5'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035850	2',5,5',6,7-Pentahydroxyisoflavone; 5',6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035851	2',5,5',7,8-Pentahydroxyflavone; 7,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035852	2',5,6',7,8-Pentahydroxyflavone; 2',8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035853	2',5,6',7,8-Pentahydroxyflavone; 7,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035854	2',5,6,7,8-Pentahydroxyflavone; 6,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035855	2',5,6,7,8-Pentahydroxyflavone; 7,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035856	2,3',4',5,7-Pentahydroxyisoflavone; 3',5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035857	2,3',4'-Trihydroxyacetophenone; 2-O-(3,4-Dihydroxy-E-cinnamoyl) 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035858	2,3,6a,8,9-Pentahydroxypterocarpan; 2-Me, 8,9-methylene ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035859	2,3,6a,8,9-Pentahydroxypterocarpan; 3-Me, 8,9-methylene ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035860	2-Acetyl-1,3,6,8-tetrahydroxyanthraquinone; 1'R-Alcohol, 1'-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035861	3',4',5',6,7-Pentahydroxyflavone; 3',5'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035862	3',4',5,5',7-Pentahydroxyflavone; 3',4'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035863	3',4',5,5',7-Pentahydroxyflavone; 3',5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035864	3',4',5,5',7-Pentahydroxyisoflavone; 3',5'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035865	3',4',5,6,7-Pentahydroxyflavone; 3',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035866	3',4',5,6,7-Pentahydroxyflavone; 4',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035867	3',4',5,6,7-Pentahydroxyflavone; 5,6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035868	3',4',5,6,7-Pentahydroxyflavone; 6,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035869	3',4',5,6,7-Pentahydroxyisoflavone; 3',6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035870	3',4',5,6,7-Pentahydroxyisoflavone; 3',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035871	3',4',5,6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035872	3',4',5,6,7-Pentahydroxyisoflavone; 6,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035873	3',4',5,7,8-Pentahydroxyflavone; 3',8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035874	3',4',5,7,8-Pentahydroxyflavone; 4',8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035875	3',4',5,7,8-Pentahydroxyisoflavone; 3',8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035876	3',4',5,7,8-Pentahydroxyisoflavone; 4',8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035877	3',4',7-Trihydroxy-3,5-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035878	3',5,5',6,7-Pentahydroxyflavone; 3',6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035879	3',5,7-Trihydroxy-3,4'-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035880	3',5,7-Trihydroxy-4',6-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035881	3,3',4',5',7-Pentahydroxyflavone; 3',5'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035882	3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035883	3,3',4',5,7-Pentahydroxy-6-methylflavone; 3-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035884	3,3',4',5,7-Pentahydroxy-8-methylflavone; 3-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035885	3,3',4',5,7-Pentahydroxyflavone; 3',5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035886	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035887	3,3',4',5,7-Pentahydroxyflavone; 4',5-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035888	3,3',4',7,8-Pentahydroxyflavone; 3,3'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035889	3,3',4',7,8-Pentahydroxyflavone; 3,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035890	3,3',4',7-Tetrahydroxyflavanone, 3-Ac 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035891	3,3',5,5',7-Pentahydroxyflavone; 3',5'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035892	3,3',5-Trihydroxy-4',7-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035893	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035894	3,4',5,6,7-Pentahydroxyflavone; 3,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035895	3,4',5,6,7-Pentahydroxyflavone; 5,6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035896	3,4',5,7,8-Pentahydroxyflavone; 3,4'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035897	3,4',5,7,8-Pentahydroxyflavone; 3,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035898	3,4',5,7,8-Pentahydroxyflavone; 4',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035899	3,4',5,7,8-Pentahydroxyflavone; 7,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035900	3,4',5,7-Tetrahydroxyflavanone, 3-Ac 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035901	3,4',5-Trihydroxy-3',7-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035902	3,4',5-Trihydroxy-6,7-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035903	3,4,6a,8,9-Pentahydroxypterocarpan; 4-Me, 8,9-Methylene ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035904	3,5,6,7,8-Pentahydroxyflavone; 6,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035905	3,5,7-Trihydroxy-3',4'-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035906	3,5,7-Trihydroxy-4',6-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035907	3,5,7-Trihydroxy-4',8-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035908	3,5,8-Trihydroxy-6-methoxy-2-(5-oxo-1,3-hexadienyl)-1,4-naphthoquinone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035909	3-(3,4-Dihydroxybenzylidene)-5,6,7-trihydroxy-4-chromanone, 6-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035910	3-(3,4-Dihydroxybenzylidene)-5,7,8-trihydroxy-4-chromanone, 7-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035911	3-(3,4-Dihydroxybenzylidene)-5,7,8-trihydroxy-4-chromanone, 8-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035912	4',5,6,7,8-Pentahydroxyflavone; 4',6-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035913	4',5,6,7,8-Pentahydroxyflavone; 4',7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035914	4',5,6,7,8-Pentahydroxyflavone; 4',8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035915	4',5,6,7,8-Pentahydroxyflavone; 6,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035916	4',5,6,7,8-Pentahydroxyflavone; 6,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035917	4',5,6,7,8-Pentahydroxyflavone; 7,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035918	4',5,6,7,8-Pentahydroxyisoflavone; 6,8-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035919	4',5,7-Trihydroxy-3',5'-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035920	4',5,7-Trihydroxy-3',6-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035921	4',5,7-Trihydroxy-3,3'-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035922	4',5,7-Trihydroxy-3,8-dimethoxyflavone 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035923	4,9,11,12a-Tetrahydroxyrotenoid; 9-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035924	4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035925	6,7-Dihydroxy-3-(2,3,4-trihydroxyphenyl)-2H-1-benzopyran-2-one; 2',4'-Di-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035926	6a,12a-Dihydro-4,9,11,12a-tetrahydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one; 9-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035927	Aflatoxin B1, 15,16-Dihydro, 16-hydroxy 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035928	Aflatoxin G1; 15,16-Dihydro 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035929	Aflatoxin M1; 15,16-Dihydro 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035930	Arizonin C1; 7-O-De-Me 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035931	Arizonin C1; 8-O-De-Me 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035932	Crombeone; 3'-Deoxy, 5'-hydroxy, O5-Me 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035933	Crombeone; 5-Me ether 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035934	Dryopterin 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035935	Erdin, Bis(dechloro), Me ester 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035936	Guarabin 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035937	Irispurinol 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035938	Isoguarabin 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035939	Lecideoidin; Bis(dechloro) 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035940	Norisonotatic acid 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035941	Notatic acid; O-De-Me 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035942	Pannaric acid; 2-Me ester 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035943	Pannaric acid; 6-Me ester 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035944	Remerin 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035945	Subnotatic acid 	C17H14O7	330.073952	NA	MeJP	NA	NA
+MJ035946	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5-Di-Me ether 	C17H15O7(+)	330.073952	NA	MeJP	NA	NA
+MJ035947	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+) 	C17H15O7(+)	330.073952	NA	MeJP	NA	NA
+MetaCyc02893	3',4',5-trihydroxy-3,7-dimethoxyflavone [3,7-di-O-methylquercetin;]	C17H14O7	330.073953	NA	metacyc	NA	NA
+MetaCyc02894	cicerin []	C17H14O7	330.073953	NA	metacyc	NA	NA
+C01265	3',4',5-Trihydroxy-3,7-dimethoxyflavone	C17H14O7	330.074	NA	KEGG	NA	NA
+C03036	(+)-Bisdechlorogeodin	C17H14O7	330.074	NA	KEGG	NA	NA
+C03040	(-)-Bisdechlorogeodin	C17H14O7	330.074	NA	KEGG	NA	NA
+C10033	Cirsiliol	C17H14O7	330.074	NA	KEGG	NA	NA
+C10193	Tricin	C17H14O7	330.074	NA	KEGG	NA	NA
+C10424	Hildecarpin	C17H14O7	330.074	NA	KEGG	NA	NA
+C16754	Aflatoxin G2	C17H14O7	330.074	NA	KEGG	NA	NA
+C17670	Aurantio-obtusin	C17H14O7	330.074	NA	KEGG	NA	NA
+MJ035948	Sulfenosine; S-Oxide 	C10H14N6O5S	330.074638	NA	MeJP	NA	NA
+MJ035949	5-(3-Buten-1-ynyl)-5' hydroxymethyl-2,2'-bithiophene; 3-Methylbutanoyl 	C18H18O2S2	330.074821	NA	MeJP	NA	NA
+MJ035950	Aplysistatin; 12-Deoxo, 7?,8?-epoxide 	C15H23BrO3	330.083057	NA	MeJP	NA	NA
+MJ035951	Majapol D 	C15H23BrO3	330.083057	NA	MeJP	NA	NA
+MJ035952	Majapolene A 	C15H23BrO3	330.083057	NA	MeJP	NA	NA
+MJ035953	3-Chloro-1,2-epoxy-4,8,10-trihydroxy-11(13)-guaien-12,6-olide 	C15H19ClO6	330.087016	NA	MeJP	NA	NA
+MJ035954	8-[2-(3-Chlorophenyl)ethenyl]-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 	C16H15ClN4O2	330.088353	NA	MeJP	NA	NA
+MJ035955	2-Benzyl-1,3-dihydroxyanthraquinone 	C21H14O4	330.089208	NA	MeJP	NA	NA
+MJ035956	(2,5-Dihydroxyphenyl)acetic acid; 2-O-?-D-Glucopyranoside 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035957	2',4',6'-Trihydroxyacetophenone; 2'-O-?-D-Glucopyranoside 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035958	2',4',6'-Trihydroxyacetophenone; 4'-O-?-D-Glucopyranoside 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035959	2,3-Dihydroxybenzoic acid; 3-Me ether, ?-D-glucopyranosyl ester 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035960	2,4-Dihydroxy-6-methylbenzoic acid; 2-O-?-D-Glucopyranoside 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035961	3'-Glucosyl-2',4',6'-trihydroxyacetophenone 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035962	3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-?-D-glucopyranoside 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035963	3,4-Dihydroxybenzoic acid; 3-O-?-D-Glucopyranoside, Me ester 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035964	4-Hydroxy-2-(hydroxymethyl)benzoic acid; 1'-O-?-D-Glucopyranoside 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035965	Mudanoside A 	C14H18O9	330.095082	NA	MeJP	NA	NA
+MJ035966	Naucleficine; 19-Hydroxy 	C20H14N2O3	330.100442	NA	MeJP	NA	NA
+MJ035967	4-(2-Chlorobenzyl)-5-oxo-4-phenylhexanoic acid 	C19H19ClO3	330.102272	NA	MeJP	NA	NA
+MJ035968	Atibeprone 	C17H18N2O3S	330.103813	NA	MeJP	NA	NA
+C08781	Samaderin A	C18H18O6	330.1103	NA	KEGG	NA	NA
+C14894	3',6'-Dihydroxy-2',4,4'-trimethoxy-chalcone	C18H18O6	330.1103	NA	KEGG	NA	NA
+C14997	2,3-Dihydro-6-hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-	C18H18O6	330.1103	NA	KEGG	NA	NA
+C15019	2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-	C18H18O6	330.1103	NA	KEGG	NA	NA
+C17413	Acetylshikonin	C18H18O6	330.1103	NA	KEGG	NA	NA
+FL1CALNS0001	Cerasin	C18H18O6	330.11033	64166-11-6	knapsack	NA	NA
+FL1CDENS0001	3,2'-Dihydroxy-4,4',6'-trimethoxychalcone	C18H18O6	330.11033	38186-71-9	knapsack	NA	NA
+FL1CE8NS0001	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone	C18H18O6	330.11033	100079-39-8	knapsack	NA	NA
+FL1CEANS0001	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone	C18H18O6	330.11033	59567-92-9	knapsack	NA	NA
+FL1CEANS0002	4,2'-Dihydroxy-3',4',6'-trimethoxychalcone	C18H18O6	330.11033	69616-74-6	knapsack	NA	NA
+FL1CG9NS0001	Pedicin;2',5'-Dihydroxy-3',4',6'-trimethoxychalcone	C18H18O6	330.11033	521-51-7	knapsack	NA	NA
+FL1CG9NS0002	Isodidymocarpin	C18H18O6	330.11033	71326-08-4	knapsack	NA	NA
+FL1DHYNS0004	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone	C18H18O6	330.11033	70185-51-2	knapsack	NA	NA
+FL2FA8NS0010	(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone	C18H18O6	330.11033	652999-52-5	knapsack	NA	NA
+FL2FADNM0001	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone	C18H18O6	330.11033	78417-14-8	knapsack	NA	NA
+FL2FALNM0002	2'-Hydroxymatteucinol;5,7,2'-Trihydroxy-4'-methoxy-6,8-dimethylflavanone	C18H18O6	330.11033	154320-34-0	knapsack	NA	NA
+FL2FALNS0001	Cerasinone	C18H18O6	330.11033	64166-14-9	knapsack	NA	NA
+FL2FCFNS0001	Eriodictyol 7,3',4'-trimethyl ether	C18H18O6	330.11033	70987-96-1	knapsack	NA	NA
+FL2FEANS0005	5-Hydroxy-6,7,4'-trimethoxyflavanone	C18H18O6	330.11033	75933-05-0	knapsack	NA	NA
+FL2FEANS0007	4'-Hydroxy-5,6,7-trimethoxyflavanone	C18H18O6	330.11033	72943-91-0	knapsack	NA	NA
+FL2FF8NS0002	7-Hydroxy-5,8,2'-trimethoxyflavanone	C18H18O6	330.11033	100079-34-3	knapsack	NA	NA
+FL2FFANS0003	5-Hydroxy-7,8,4'-trimethoxyflavanone	C18H18O6	330.11033	75933-07-2	knapsack	NA	NA
+FL2FG9NS0002	Isopedicin	C18H18O6	330.11033	-	knapsack	NA	NA
+FL2FG9NS0003	5-Hydroxy-6,7,8-trimethoxyflavanone	C18H18O6	330.11033	75428-50-1	knapsack	NA	NA
+FL2FG9NS0005	Kwangsienin A	C18H18O6	330.11033	158848-28-3	knapsack	NA	NA
+FL4DDANS0003	7-Hydroxy-3,5,4'-trimethoxyflavanone	C18H18O6	330.11033	148645-97-0	knapsack	NA	NA
+FL4DDBNS0001	(2R,3R)-3-Hydroxy-5,7,4'-trimethoxyflavanone	C18H18O6	330.11033	76792-94-4	knapsack	NA	NA
+FL63DCNS0001	3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether	C18H18O6	330.11033	87562-72-9	knapsack	NA	NA
+FL63PTNM0001	(+)-8-Hydroxy-5,5-dimethylpeltogynan	C18H18O6	330.11033	132125-04-3	knapsack	NA	NA
+FLIB1LNS0010	3'-O-Methylviolanone;7-Hydroxy-2',3',4'-trimethoxyisoflavanone	C18H18O6	330.11033	56973-42-3	knapsack	NA	NA
+FLIB1LNS0011	3'-Methoxyisosativanone	C18H18O6	330.11033	71973-13-2	knapsack	NA	NA
+FLID1LNS0002	9-O-Methylphilenopteran;3-Hydroxy-7,9,10-trimethoxypterocarpan	C18H18O6	330.11033	22356-05-4	knapsack	NA	NA
+FLID3CNS0007	Melilotocarpan C;4-Hydroxy-3,9,10-trimethoxypterocarpan	C18H18O6	330.11033	83013-82-5	knapsack	NA	NA
+FLID3CNS0008	Odoricarpan;10-Hydroxy-3,4,9-trimethoxypterocarpan	C18H18O6	330.11033	101153-42-8	knapsack	NA	NA
+FLID4ANS0001	4-Hydroxy-2,3,9-trimethoxypterocarpan	C18H18O6	330.11033	56841-82-8	knapsack	NA	NA
+MJ035969	1,2,3,5,6,7-Hexahydroxyphenanthrene; 1,2,5,6-Tetra-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035970	1,3,5-Trihydroxy-4-prenylxanthone; 3'-Hydroxy, 2',3'-dihydro 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035971	1,3,7-Trihydroxy-2-prenylxanthone; 2',3'-Dihydro, 3'-hydroxy 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035972	1-(4-Hydroxyphenyl)-1,2-ethanediol, 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035973	1-(4-Hydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione; 4,4',6'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035974	2',3',4',5',6'-Pentahydroxychalcone; 2',3',5'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035975	2',3',4',5',6'-Pentahydroxychalcone; 2',4',5'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035976	2',3',4',7-Tetrahydroxyisoflavanone, 2',3',4'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035977	2',3',4',7-Tetrahydroxyisoflavanone, 3',4',7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035978	2',3',4,4',6'-Pentahydroxychalcone; 2',3',4'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035979	2',3',4,4',6'-Pentahydroxychalcone; 3',4',6'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035980	2',3,4,4',6'-Pentahydroxychalcone; 2',4,4'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035981	2',4',5,7-Tetrahydroxy-6,8-dimethylflavanone, 4'-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035982	2',4',5,7-Tetrahydroxyflavanone, 2',4',5-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035983	2',5,5',7-Tetrahydroxy-6,8-dimethylflavanone, 5'-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035984	2',5,7,8-Tetrahydroxyflavanone, 2',5,8-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035985	2,2',3',4',6'-Pentahydroxychalcone; 2,2',3'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035986	2,2',4,4',6'-Pentahydroxychalcone; 2,2',4-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035987	2,3,4,9-Tetrahydroxypterocarpan; 2,3,9-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035988	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde, Carboxylic acid, 3',5-di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035989	2-Formyl-2',3,3',5-tetrahydroxy-5'-methylbenzophenone; 2',3,3'-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035990	3',4',5,7-Tetrahydroxy-6,8-dimethylflavanone, 3'-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035991	3',4',5,7-Tetrahydroxyflavanone, 3',4',7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035992	3,3',4',5,7-Pentahydroxyflavan, 3',4'-Methylene, 5,7-di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035993	3,3',4',7-Tetrahydroxyflavanone, 3',4',7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035994	3,4',5,7-Tetrahydroxyflavanone, 3,4',5-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035995	3,4',5,7-Tetrahydroxyflavanone, 4',5,7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035996	3,4,9,10-Tetrahydroxypterocarpan; 3,4,9-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035997	3,4,9,10-Tetrahydroxypterocarpan; 3,9,10-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035998	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether, 3-Ac 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ035999	3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6-methyl-4-chromanone, 7-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036000	3,7,9,10-Tetrahydroxypterocarpan; 7,9,10-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036001	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 3',4'-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036002	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 3',7-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036003	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 4',5-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036004	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxy-4-chromanone; 4',7-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036005	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxyphthalide; 3',4',5-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036006	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxyphthalide; 3',5,7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036007	3-(3,4-Dihydroxybenzyl)-6,7-dihydroxy-4-chromanone; 4',7-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036008	3-Hydroxymethyl-3,5-cyclohexadiene-1,2-diol, 1,2-Di-Ac, 1'-benzoyl 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036009	4',5,6,7-Tetrahydroxyflavanone, 4',5,7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036010	4',5,6,7-Tetrahydroxyflavanone, 4',6,7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036011	4',5,6,7-Tetrahydroxyflavanone, 5,6,7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036012	4',5,7,8-Tetrahydroxyflavanone, 4',7,8-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036013	5,6,7,8-Tetrahydroxyflavanone, 5,6,7-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036014	5,6,7,8-Tetrahydroxyflavanone, 5,6,8-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036015	5,6,7,8-Tetrahydroxyflavanone, 5,7,8-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036016	5,6,7,8-Tetrahydroxyflavanone, 6,7,8-Tri-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036017	5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4',6-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036018	5,6a,7,12a-Tetrahydro-5,5-dimethyl[2]benzopyrano[4,3-b][1]benzopyran-2,3,8,10-tetrol 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036019	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 4',8-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036020	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7,8-Di-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036021	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Ac 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036022	5,8-Dihydroxy-6,10-dimethoxy-2-propyl-4H-naphtho[2,3-b]pyran-4-one 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036023	6-(1,1-Dimethyl-2-propenyl)-4,6-dimethoxy-7H-furo[3,2-g][1]benzopyran-5,7(6H)-dione 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036024	Americanin A; 1-Alcohol 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036025	Americanol 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036026	Caloxanthone H 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036027	Colutequinone A 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036028	Colutequinone B 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036029	Dermochrysonol; 2'-Ketone 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036030	Elemiferone; 2'-Ac 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036031	Eucomol, 7-Me ether 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036032	Ficusal 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036033	Frenolicin; Deepoxy, 4a,10a-didehydro 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036034	Halfordinine 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036035	Isoamericanol A 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036036	Killarniensolide 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036037	Nordinone; 6,7,8,9-Tetradehydro, 4R,5R-epoxide 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036038	Podolactone E 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036039	Samaderine A 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036040	Scleroquinone 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036041	Sellowin B 	C18H18O6	330.110338	NA	MeJP	NA	NA
+MJ036042	Tricholomenyne B 	C18H18O6	330.110338	NA	MeJP	NA	NA
+HMDB11672	Aflatoxin B1 dialcohol	C18H18O6	330.110352	NA	HMDB2010	NA	NA
+MJ036043	Melibiitol 	C11H22O11	330.116211	NA	MeJP	NA	NA
+MJ036044	6-Bromo-5,9-hexadecadienoic acid 	C16H27BrO2	330.119442	NA	MeJP	NA	NA
+MJ036045	Miraxanthin III 	C17H18N2O5	330.121571	NA	MeJP	NA	NA
+MJ036046	Strychnovoline; O-(3-Pyridinecarboxylate) 	C17H18N2O5	330.121571	NA	MeJP	NA	NA
+C08556	Miraxanthin-III	C17H18N2O5	330.1216	NA	KEGG	NA	NA
+MJ036047	Anisacril 	C22H18O3	330.125594	NA	MeJP	NA	NA
+MJ036048	Flumezapine 	C17H19FN4S	330.131445	NA	MeJP	NA	NA
+MJ036049	1,4,8,10,13-Pentahydroxy-2-guaien-12,6-olide, 1-Hydroperoxide 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036050	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-?-D-Glucopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036051	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 4'-O-?-D-glucopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036052	2-(3,4-Dihydroxyphenyl)ethanol; 4'-Me ether, 1-O-?-D-glucopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036053	3-(4-Hydroxyphenyl)-1,2-propanediol, 4'-O-?-D-Glucopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036054	6-Deoxyaucubigenin; 1-O-?-D-Glucopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036055	Antirride 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036056	Crescentin V; 10-O-?-D-Glucopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036057	Decaloside; 11-Deoxy 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036058	Dihydro-3-(1-hydroxy-2-butenylidene)-4-(hydroxymethyl)-2(3H)-furanone, 1'-O-?-L-Rhamnopyranoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036059	Linaride 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036060	Linarioloside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036061	Lychnitoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036062	Tomentoside 	C15H22O8	330.131467	NA	MeJP	NA	NA
+MJ036063	3-[[4-[[4-(Aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoic acid 	C16H18N4O4	330.132805	NA	MeJP	NA	NA
+MJ036064	Pseudomonine 	C16H18N4O4	330.132805	NA	MeJP	NA	NA
+C17533	Gambirtannine	C21H18N2O2	330.1368	NA	KEGG	NA	NA
+MJ036065	Gambirtannine 	C21H18N2O2	330.136827	NA	MeJP	NA	NA
+MJ036066	Ethynerone 	C20H23ClO2	330.138657	NA	MeJP	NA	NA
+C15073	17alpha-Chloroethynylestradiol	C20H23ClO2	330.1387	NA	KEGG	NA	NA
+MJ036067	Alimemazine, S,S-Dioxide 	C18H22N2O2S	330.140198	NA	MeJP	NA	NA
+7641	ACE inhibitor from porcine myosin (308-310)	TNP	330.1419	antioxidative	Inhouse_peptide	NA	peptide
+8254	ACE inhibitor	AGSP	330.142	NA  ;SYN:(+)-S-Ornithine; (S)-2,5-Diaminopentanoate; (S)-2,5-Diaminopentanoic acid; (S)-Ornithine; (S)-a,d-Diaminovalerate; (S)-a,d-Diaminovaleric acid; 5-amino-L-Norvaline; L-(-)-Ornithine; L-OrnithineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+12	Myosin	TNP	330.143	celiac toxic	Inhouse_peptide	NA	peptide
+C09173	Podolide	C19H22O5	330.1467	NA	KEGG	NA	NA
+C11854	Gibberellin A51-catabolite	C19H22O5	330.1467	NA	KEGG	NA	NA
+C11867	Gibberellin A7	C19H22O5	330.1467	NA	KEGG	NA	NA
+C11871	Gibberellin A5	C19H22O5	330.1467	NA	KEGG	NA	NA
+C18037	5-Deoxystrigol	C19H22O5	330.1467	NA	KEGG	NA	NA
+MJ036068	1,10-Dihydroxy-9,15-cyclo-20-nor-16-gibberellene-7,19-dioic acid 10,19-lactone 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036069	1,10-Epoxy-6-hydroxy-2-furanoeremophilen-9-one, 6-(2-Methylpropanoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036070	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenyl-1-propene 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036071	15,16-Epoxy-4-hydroxy-18-nor-1-oxo-2,13(16),14-clerodatrien-17,12-olide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036072	17-Nor-8-oxo-3,13(16)-clerodadiene-15,16:18,19-diolide; ent-form 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036073	2,19:15,16-Diepoxy-18-nor-4-oxo-13(16),14-clerodadien-17,12-olide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036074	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(3-Methylbutanoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036075	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; Diangeloyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036076	20-Nor-1(10),16-gibberelladien-19,2-olid-7-oic acid, 1?,10?-Epoxide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036077	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 5-Deoxy, 3'-Me ether 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036078	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, (2-Methylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036079	3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036080	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-(Methylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036081	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036082	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-[3-(4-hydroxyphenyl)propanoyl] 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036083	3-Hydroxyfuranoeremophilan-15,6-olide, O-(2-Methyl-2-propenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036084	4,7-Epoxy-1,5-dihydro-8-hydroxy-11(13)-bourbonen-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036085	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Bis-O-(3-methyl-2-butenyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036086	5,7-Dimethoxy-8-(2-methyl-1-oxo-2-butenyl)-4-propyl-2H-1-benzopyran-2-one 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036087	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-tigloyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036088	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-angeloyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036089	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-tigloyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036090	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, O-(2-Methylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036091	7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one; 7'-Hydroperoxide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036092	7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(2,3-Epoxy-3-methylbutyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036093	8,9-Dihydro-6-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one; 6-O-(3-Methyl-2-butenyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036094	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036095	9-Methyllongipesin; 9-O-Propanoyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036096	Anisocoumarin C 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036097	Antibiotic MM 240 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036098	Asadanin; 10-Deoxo 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036099	Auraptene; 2',3'-Dihydro, 5'-oxo, 6',7'-epoxide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036100	Auraptene; 5'?,8'-Dihydroxy(E,E-) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036101	Auraptene; 6',7'-Dihydro, 7'-hydroxy, 5'?,6'?-epoxide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036102	Auraptene; ?5'-Isomer, 7'-hydroxy, 2'?,3'?-epoxide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036103	Auraptene; ?7'-Isomer, 5',6'-dihydroxy 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036104	Auraptene; ?7'-Isomer, 6'S-hydroperoxy 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036105	Baccharascoparone 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036106	Centrolobin, 4R,5S-Dihydroxy, O-de-Me 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036107	Centrolobin, 4S,5R-Dihydroxy, O-de-Me 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036108	Centrolobin, 4S,5S-Dihydroxy, O-de-Me 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036109	Cernuanone; 3-Methyl-2-butenoyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036110	Dihydrooroselol, O-(3-Methylbutanoyl) 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036111	Eriosematin D 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036112	Eriosematin E 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036113	Fragransol B 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036114	Gibberellin A105 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036115	Gibberellin A20; 1,2-Didehydro 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036116	Gibberellin A31 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036117	Gibberellin A4; 9,11-Didehydro 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036118	Gibberellin A5 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036119	Gibberellin A61; 2,3-Didehydro 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036120	Gibberellin A7 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036121	Gibberellin A9; 9,11-Didehydro, 13?-hydroxy 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036122	Hericenone A 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036123	Imperanene 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036124	Ineleganolide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036125	Isogibberellic acid; 13-Deoxy 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036126	Kirialovin 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036127	Lactiflorasyne 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036128	Leachianone H 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036129	Lomatin, O-3-Methylbutanoyl 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036130	Lunamarin A 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036131	Macquarimicin A 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036132	Magnolignan B; 4'-Deoxy, 6'-hydroxy, 7-Me ether 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036133	Marmin, 6'-Ketone 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036134	Milanjilactone B; 7?,8?-Epoxide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036135	Nagilactone A; 1-Deoxy, 2,3-didehydro 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036136	Nagilactone F; 2,3-Didehydro, 16-hydroxy 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036137	Podolide 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036138	Poncimarin 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036139	Purdilactone B 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MJ036140	Thannilignan 	C19H22O5	330.146723	NA	MeJP	NA	NA
+MetaCyc02895	GA7 [gibberellin A7;gibberellin A7;GA7;]	C19H22O5	330.146724	NA	metacyc	NA	NA
+MetaCyc02896	GA51-catabolite [gibberellin A51-catabolite;gibberellin A51-catabolite;GA51-catabolite;]	C19H22O5	330.146724	NA	metacyc	NA	NA
+PJ000330	SPQ 	C13H22N4O6	330.1539	NA	PeJP	NA	NA
+MJ036141	Antibiotic CB 25-II 	C13H22N4O6	330.153934	NA	MeJP	NA	NA
+MJ036142	Antibiotic SF 2448; Antibiotic SF 2448B 	C13H22N4O6	330.153934	NA	MeJP	NA	NA
+PJ000331	GGPT 	C13H22N4O6	330.154	NA	PeJP	NA	NA
+MJ036143	3-(4-Hydroxyphenyl)-N-[4-(3-methyl-2,5-dioxo-1-pyrrolidinyl)butyl]-2-propenamide 	C18H22N2O4	330.157957	NA	MeJP	NA	NA
+MJ036144	Pseudophryne Alkaloid 330 	C18H22N2O4	330.157957	NA	MeJP	NA	NA
+MJ036145	Quinocarcin 	C18H22N2O4	330.157957	NA	MeJP	NA	NA
+HMDB05796	Picrocrocin	C16H26O7	330.167847	NA	HMDB2010	NA	NA
+HMDB05796	Picrocrocin	C16H26O7	330.16785	http://www.hmdb.ca/metabolites/HMDB05796	HMDB	NA	NA
+HMDB05796	Picrocrocin	C16H26O7	330.16785	HMDB05796	PFEM_hmdb_metabocards_official	NA	NA
+MJ036146	1,4,6,8,15-Pentahydroxy-11(13)-eudesmen-12-oic acid, Me ester 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036147	1-Hydroxy-3,7-dimethyl-2,6-octadien-5-one; 1-O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036148	10-Hydroxy-p-menth-8-en-3-one; O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036149	10-Hydroxyfenchone, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036150	2-Methyl-6-methylene-2-octene-1,8-diol, 1-Aldehyde, 8-O-?-D-glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036151	2-Pinene-4,10-diol; 4-O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036152	2-Pinene-9,10-diol; 10-O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036153	3-(Hydroxymethyl)-2,4,4-trimethyl-2-cyclohexen-1-one; O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036154	3-Myodeserten-1-ol, 1-O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036155	4-(Hydroxymethyl)-3,5,5-trimethyl-2-cyclohexen-1-one, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036156	4-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde; O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036157	5-Hydroxyfenchone, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036158	6-Hydroxy-2,6-dimethyl-1,7-octadien-3-one, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036159	6-Hydroxy-2-bornanone, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036160	6-Hydroxyfenchone, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036161	8-Hydroxy-2,6-dimethyl-2,5-octadien-4-one, O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036162	8-Hydroxy-3-thujanone; 8-O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036163	9-Hydroxy-p-menth-4(8)-en-3-one, O-?-D-Glucoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036164	D-glycero-D-galacto-Heptose; ?-Pyranose-form, 1,2:3,4:6,7-Tri-O-isopropylidene 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036165	Iridodial; 1-O-?-D-Glucopyranoside 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036166	Minioluteic acid 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036167	Prostaglandin F-M 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036168	Schizonepetoside A 	C16H26O7	330.167853	NA	MeJP	NA	NA
+MJ036169	Schizonepetoside B 	C16H26O7	330.167853	NA	MeJP	NA	NA
+C11656	8-Epiiridodial glucoside	C16H26O7	330.1679	NA	KEGG	NA	NA
+C11670	Iridodial glucoside	C16H26O7	330.1679	NA	KEGG	NA	NA
+C17055	Picrocrocin	C16H26O7	330.1679	NA	KEGG	NA	NA
+C17634	Schizonepetoside A	C16H26O7	330.1679	NA	KEGG	NA	NA
+C17635	Schizonepetoside B	C16H26O7	330.1679	NA	KEGG	NA	NA
+C17636	Schizonepetoside C	C16H26O7	330.1679	NA	KEGG	NA	NA
+C17637	Schizonepetoside D	C16H26O7	330.1679	NA	KEGG	NA	NA
+MJ036170	Pirsidomine 	C17H22N4O3	330.16919	NA	MeJP	NA	NA
+MJ036171	1a-Hydroxymagnocurarine 	C19H24NO4	330.170533	NA	MeJP	NA	NA
+3749	NA	KPS	330.178	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ036172	Antibiotic AM 4299A 	C15H26N2O6	330.179086	NA	MeJP	NA	NA
+C09069	Carnosol	C20H26O4	330.1831	NA	KEGG	NA	NA
+C14162	Gibberellin A15	C20H26O4	330.1831	NA	KEGG	NA	NA
+C14529	Dicyclohexyl phthalate	C20H26O4	330.1831	NA	KEGG	NA	NA
+HMDB02121	Carnosol	C20H26O4	330.183105	NA	HMDB2010	NA	NA
+MJ036173	1(9),6,13-Xenicatriene-17,18:19,18-diolide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036174	1,10-Epoxyfuranoeremophilan-3-ol, 3-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036175	1,10-Epoxyfuranoeremophilan-3-ol, 3-Tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036176	1,10-Epoxyfuranoeremophilan-6-ol, 6-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036177	1,10-Epoxyfuranoeremophilan-6-ol, 6-Tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036178	1,10-Epoxyfuranoeremophilan-6-ol, O-(3-Methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036179	1,10-Epoxyfuranoeremophilan-6-ol, 6-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036180	1,3,13-Clerodatrien-15,16-olid-18-oic acid; 5?-form 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036181	1-Hydroxy-2,4(15)-eudesmadien-12,6-olide, 3-Methyl-2-butenoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036182	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 14-Deoxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036183	11,12,16-Trihydroxy-5,8,11,13-abietatetraen-7-one 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036184	11,12-Epoxy-13-hydroxy-3,7,15(17)-cembratrien-16,2-olide, 13-Ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036185	11,14,16-Trihydroxy-7,9(11),13-abietatriene-6,12-dione, 16-Deoxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036186	11,16-Dihydroxy-7,9(11),13-cassatriene-6,12-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036187	11-Hydroxy-1(10),3-guaiadien-12,6-olide, Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036188	12,16-Dihydroxy-8,11,13-abietatriene-3,7-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036189	12-Hydroxy-8,12-abietadiene-7,11,14-trione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036190	14,19-Dihydroxy-8,11,13-abietatriene-3,7-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036191	14-Hydroxy-1(10),4,7(11)-germacratrien-12,6-olide, O-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036192	14-Hydroxy-15-oxo-3,5(10),11-cyathatrien-17-oic acid; 14?-form 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036193	15,16-Epoxy-1-hydroxy-3,13(16),14-clerodatrien-18,19-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036194	15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-18,6-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036195	15,16-Epoxy-12-oxo-3,13(16),14-clerodatrien-18,6-olide, 3,4?-Dihydro 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036196	15,16-Epoxy-19-nor-2-oxo-3,13(16),14-clerodatrien-20-oic acid, Me ester 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036197	15,16-Epoxy-2-hydroxy-1(10),13(16),14-clerodatrien-18,19-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036198	15,16-Epoxy-2-hydroxy-3,12,13(16),14-clerodatetraen-18-oic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036199	15,16-Epoxy-3,12-dihydroxy-8(17),13(16),14-labdatrien-2-one, 12-Ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036200	15,16-Epoxy-3,12-dioxo-13(16),14-clerodadien-20-al 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036201	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-aldehyde 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036202	15,16-Epoxy-3,5-dihydroxy-13(16),14-halimadien-20,12-olide, 5-Deoxy, 5,6-didehydro 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036203	15,16-Epoxy-3,6-dihydroxy-8(17),13(16),14-labdatrien-12-one, 3-Ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036204	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatrien-18,6-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036205	15,16-Epoxy-6,7-dihydroxy-3,13(16),14-clerodatrien-18-oic acid, 18?6 Lactone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036206	15,16-Epoxy-7-hydroxy-3,13(16),14-clerodatrien-18,19-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036207	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 12-Oxo 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036208	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Methyl-2-butenoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036209	17(15?16)-Abeo-7,12-dihydroxy-8,12,16-abietatriene-11,14-dione; 7?-form 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036210	17-Hebemacrophyllidoic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036211	18,19-Dihydroxy-3,13-clerodadien-15,16-olide; 5?-form, 18-Carboxylic acid, 18?19 lactone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036212	19(4?3)-Abeo-11,12,14-trihydroxy-3,8,11,13-abietatraen-7-one 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036213	19(4?3)-Abeo-6,11-epoxy-6,12-dihydroxy-6,7-seco-4(18),8,11,13-abietatetraen-7-al; 6?-form 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036214	19-Hydroxy-8,12-abietadiene-11,14-dione; 19-Carboxylic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036215	2,6,11-Trihydroxy-7,9(11),13-abietatrien-12-one, 6-Ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036216	2-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036217	2-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036218	2-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036219	2-Hydroxyfuranoeremophilan-9-one, Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036220	20(10?9)-Abeo-13-hydroxy-15-oxo-16-kauren-19,10-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036221	3,13-Clerodadiene-15,16:18,19-diolide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036222	3,13-Clerodadiene-15,16:18,6-diolide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036223	3,14-Dihydroxy-7,9(11),15-pimaratriene-2,12-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036224	3,19-Dihydroxy-8,12-abietadiene-11,14-dione, 3-Ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036225	3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036226	3,4-Epoxy-13-hydroxy-7,11,15(17)-cembratrien-16,14-olide, Ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036227	3,4:15,16-Diepoxy-13(16),14-clerodadien-20,12-olide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036228	3,7,11,15(17)-Cembratetraen-16,2-olid-19-oic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036229	3,7-Dimethyl-1,6-octadiene-3,4-diol, 4-O-(4-Methoxycinnamoyl)(E-) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036230	3-(10-Hydroxygeranyl)-p-coumaric acid, 4-Me ether 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036231	3-(4-Hydroxygeranyl)-p-coumaric acid, 4-Me ether 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036232	3-Bornanol, O-(4-Hydroxy-3-methoxycinnamoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036233	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-Methylbutanoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036234	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Methylbutanoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036235	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 3-Methylbutanoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036236	3-Hydroxyfuranoeremophilan-9-one, 3-Methyl-2-butenoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036237	3-Hydroxyfuranoeremophilan-9-one, Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036238	4,4'-Dihydroxy-3,3'-dimethoxylignan 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036239	5,12-Dihydroxy-6,8,12-abietatriene-11,14-dione; 5?-form 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036240	5-Hydroxy-1-oxo-8,11,13-abietatrien-18-oic acid; 5?-form 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036241	6,12-Dihydroxy-8,11,13-abietatriene-1,7-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036242	6,7,11-Trihydroxy-5,7,9(11),13-abietatetraen-12-one 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036243	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methylbutanoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036244	6-Hydroxyfuranoeremophilan-9-one, Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036245	6-Hydroxyfuranoeremophilan-9-one, O-(3-Methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036246	6-Hydroxyfuranoeremophilan-9-one, O-Tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036247	6-Hydroxyfuranoeremophilan-9-one, 3-Methyl-2-butenoyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036248	6-Hydroxyfuranoeremophilan-9-one, Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036249	6-Hydroxyfuranoeremophilan-9-one, O-Tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036250	6-Oxo-7,11,13-labdatrien-16,15-olide, 7-Hydroxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036251	7,13-Labdadiene-15,16:17,12-diolide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036252	7,14-Dihydroxy-1,16-kauradiene-3,15-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036253	7,20-Epoxy-12-hydroxy-8,12-abietadiene-11,14-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036254	8,11,13-Cleistanthatriene-17,19-dioic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036255	8,14-Epoxy-13(15)-abieten-16,12-olide, 11?,12?-Epoxide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036256	8,14-Epoxy-3-hydroxy-9(11),15-pimaradiene-2,12-dione 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036257	8,9;15,16-Diepoxy-11-oxo-12-cleistanthen-17-al 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036258	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036259	8-Hydroxy-1,3,11(13)-eudesmatrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036260	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036261	8-Hydroxy-4(15),9,11(13)-guaiatrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036262	9,11-Epoxy-15-oxo-16-atisen-19-oic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036263	9-Hydroxy-10,16-octadecadiene-12,14-diynoic acid, Ac 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036264	?1-Tetrahydrocannabivarolic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036265	Aissatone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036266	Bertyadionol B 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036267	Cannabichromevarinic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036268	Cannabidivarinic acid 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036269	Carnosol 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036270	Caudicifolin 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036271	Conyscabraic acid; 5?-Hydroxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036272	Conyzaleucolide B 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036273	Crinipellin A 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036274	Crotoxide A 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036275	Cynajapogenin A 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036276	Fujenal 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036277	Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036278	Furanoeremophil-1(10)-ene-3,6-diol, 6-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036279	Furanoeremophil-1(10)-ene-3,6-diol, 6-Tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036280	Furanoeremophil-1(10)-ene-4,6-diol, 6-(3-Methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036281	Furanoeremophil-1(10)-ene-4,6-diol, 6-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036282	Furanoeremophil-1(10)-ene-4,6-diol, 6-Tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036283	Furanoeremophil-1(10)-ene-6,9-diol, 6-(3-Methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036284	Furanoeremophil-1(10)-ene-6,9-diol, 6-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036285	Furanoeremophil-1(10)-ene-6,9-diol, 6-(3-Methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036286	Furanoeremophil-1(10)-ene-6,9-diol, 6-Angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036287	Furanoeremophilane-1,6-diol, 1-Ketone, 6-(3-methyl-2-butenoyl) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036288	Furanoeremophilane-1,6-diol, 1-Ketone, 6-angeloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036289	Furanoeremophilane-1,6-diol, 1-Ketone, 6-tigloyl 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036290	Gelomulide C 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036291	Gibberellin A15 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036292	Gutierrezial 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036293	Hebemacrophyllide; 19-Aldehyde 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036294	Helioscopinolide A; 2-Oxo 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036295	Helioscopinolide A; 9-Hydroxy, 3-ketone 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036296	Hyperguinone A 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036297	Hyptol 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036298	Incanpteroniolide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036299	Jatrophatrione; 3?,4?-Epoxide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036300	Lasiosperman; 6,7-Didehydro(E-), 5-(3-methylbutanoyloxy) 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036301	Momilactone B 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036302	Obtuanhydride 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036303	Pallavicinin 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036304	Printzianic acid; 1,2-Didehydro, 5?-hydroxy, 10?-hydro 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036305	Pulic acid; 15-Deoxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036306	Salvilimbinol; 4-Deoxy, 4,18-didehydro 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036307	Sapriparaquinone; 4-Hydroxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036308	Secochiliolide aldehyde 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036309	Stemolide 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036310	Strictic acid; 12R-Hydroxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036311	Strictic acid; 15,16-Dihydro, 15-oxo 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036312	Strictic acid; 15,16-Dihydro, 16-oxo 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036313	Strictic acid; 7?-Hydroxy 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036314	Taiwaniaquinone A 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MJ036315	Teuvincenone G; 3-Deoxo 	C20H26O4	330.183109	NA	MeJP	NA	NA
+MetaCyc02897	GA15 (closed lactone form) [gibberellin A15 (closed lactone form);GA15 (closed lactone form);gibberellin A15 (closed lactone form);]	C20H26O4	330.183109	NA	metacyc	NA	NA
+HMDB02121	Carnosol	C20H26O4	330.18311	http://www.hmdb.ca/metabolites/HMDB02121	HMDB	NA	NA
+HMDB02121	Carnosol	C20H26O4	330.18311	HMDB02121	PFEM_hmdb_metabocards_official	NA	NA
+PJ000332	SPK 	C14H26N4O5	330.1903	NA	PeJP	NA	NA
+MJ036316	1,2,3,4,4a,6,7,11b,12,13a-Decahydro-9,10-dimethoxy-13H-dibenzo[a,f]quinolizin-13-one; Oxime 	C19H26N2O3	330.194342	NA	MeJP	NA	NA
+MJ036317	14,15-Voaphyllinediol, 19?-Hydroxy 	C19H26N2O3	330.194342	NA	MeJP	NA	NA
+MJ036318	Gymnamine 	C19H26N2O3	330.194342	NA	MeJP	NA	NA
+MJ036319	Isoxaprolol 	C19H26N2O3	330.194342	NA	MeJP	NA	NA
+PJ000333	GVR 	C13H26N6O4	330.2016	NA	PeJP	NA	NA
+7741	ACE inhibitor	RR	330.202	antioxidative	Inhouse_peptide	NA	peptide
+MJ036320	10-Bisabolene-1,2,3,6,7-pentol, 1-Ac 	C17H30O6	330.204238	NA	MeJP	NA	NA
+MJ036321	10-Bisabolene-1,2,3,6,7-pentol, 2-Ac 	C17H30O6	330.204238	NA	MeJP	NA	NA
+MJ036322	10-Bisabolene-1,2,3,6,7-pentol, 3-Ac 	C17H30O6	330.204238	NA	MeJP	NA	NA
+PJ000334	RR 	C12H26N8O3	330.2128	NA	PeJP	NA	NA
+7569	ACE inhibitor from chicken muscle	LKA	330.215	antioxidative	Inhouse_peptide	NA	peptide
+7626	ACE inhibitor from k-CN (fr, 22-24)	IAK	330.215	antioxidative	Inhouse_peptide	NA	peptide
+8132	peptide derived from dried bonito	KAI	330.215	stimulating	Inhouse_peptide	NA	peptide
+39	Creatine kinase	LKA	330.216	celiac toxic	Inhouse_peptide	NA	peptide
+CJpos0758	17-Hydroxyprogesterone [(M+H)]+	C21H31O3	330.218975	C18rt(min)=9.81 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0759	Deoxycorticosterone [(M+H)]+	C21H31O3	330.218975	C18rt(min)=9.61 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0758	17-Hydroxyprogesterone [(M+H)]+	C21H31O3	330.218975	C18rt(min)=9.81 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0759	Deoxycorticosterone [(M+H)]+	C21H31O3	330.218975	C18rt(min)=9.61 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00016	Deoxycorticosterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00016	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00374	17-Hydroxyprogesterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00374	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00016	Deoxycorticosterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00016	HMDB	NA	NA
+HMDB00374	17-Hydroxyprogesterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00374	HMDB	NA	NA
+HMDB00920	11a-Hydroxyprogesterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00920	HMDB	NA	NA
+HMDB00016	Deoxycorticosterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00016	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00374	17-Hydroxyprogesterone	C21H30O3	330.21948	http://www.hmdb.ca/metabolites/HMDB00374	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00016	Deoxycorticosterone	C21H30O3	330.21948	HMDB00016	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00374	17-Hydroxyprogesterone	C21H30O3	330.21948	HMDB00374	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00920	11a-Hydroxyprogesterone	C21H30O3	330.21948	HMDB00920	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00016	Deoxycorticosterone	C21H30O3	330.219482	NA	HMDB2010	NA	NA
+HMDB00374	17-Hydroxyprogesterone	C21H30O3	330.219482	NA	HMDB2010	NA	NA
+HMDB00920	11a-Hydroxyprogesterone	C21H30O3	330.219482	NA	HMDB2010	NA	NA
+MJ036323	11-Deoxycorticosterone 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036324	11alpha-Hydroxyprogesterone 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036325	11beta-Hydroxyprogesterone 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036326	17alpha-Hydroxyprogesterone 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036327	1,11-Di-3-furanyl-4,8-dimethyl-6-undecanone 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036328	1,3-Dihydroxypregna-5,16-dien-20-one 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036329	11,14-Dihydroxy-8,11,13-abietatrien-3-one; 14-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036330	12,14-Dihydroxy-8,11,13-abietatrien-3-one; 12-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036331	12,14-Dihydroxy-8,11,13-abietatrien-3-one; 14-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036332	12-Hydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial; Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036333	12-Hydroxypregn-16-ene-3,20-dione 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036334	12-Hydroxypregn-4-ene-3,20-dione; 12?-form 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036335	12-Hydroxypregn-4-ene-3,20-dione; 12?-form 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036336	13-Hydroxy-8,11,13-totaratriene-1,3-dione; 3?-Alcohol, 13-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036337	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, Me ester 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036338	16-Hydroxypregn-4-ene-3,20-dione; 16?-form 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036339	17-Hydroxyestr-4-en-3-one; 17?-form, Propanoyl 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036340	17-Hydroxypregn-4-ene-3,20-dione 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036341	18-Vouacapanol; 18-Carboxylic acid, Me ester 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036342	19-Vouacapanol; 19-Carboxylic acid, Me ester 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036343	2-Alkyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furans; 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036344	21-Hydroxypregn-4-ene-3,20-dione 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036345	3,4-Dihydroxypregna-5,17(20)-dien-16-one 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036346	3,9-Calamenenediol, 9-Angeloyl, 3-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036347	3-Hydroxy-9,11-eremophiladien-8-one, O-(2Z-Hexenoyl) 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036348	3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methyl-2E-pentenoyl) 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036349	3-Hydroxypregn-5-ene-7,20-dione 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036350	4-Hydroxy-6-pentadecyl-2H-pyran-2-one; 1',2',3',4',13',14'-Hexadehydro (all-E), Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036351	6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036352	8(14),15-Isopimaradiene-7,18-diol; 7?-form, 18-Carboxylic acid, 7-ketone, Me ester 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036353	8,11,13-Abietatriene-12,20-diol; 20-Carboxylic acid, Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036354	8,11,13-Abietatriene-15,18-diol; 18-Carboxylic acid, Me ester 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036355	8,11,13-Abietatriene-7,11,12-triol; 7?-form, 7-Ketone, 11-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036356	8,11,13-Abietatriene-7,11,12-triol; 7?-form, 7-Ketone, 12-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036357	Avarol; 6'-Hydroxy 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036358	Cannabielsoin A 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036359	Carnosol; Deoxo, O12-Me 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036360	Estra-1,3,5(10)-triene-3,16,17-triol, Tri-Me ether 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036361	Furanoeremophil-1(10)-en-3-ol, 3-(3-Methylpentanoyl) 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036362	Furanoeremophilan-3-ol, 3-Methyl-2-pentenoyl 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036363	Furospongenol 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036364	Furospongin 1 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036365	Helioporin B 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036366	Paradol; [10]Paradol, 1,2,4,5-Tetradehydro (E,E-) 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036367	Phomopsidin 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036368	Pyrethrin I; 4',5'-Dihydro 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036369	Trestolone; 17-Ac 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036370	Tricycloalternarene 3a 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036371	Tridachiahydropyrone 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036372	Turriculoic acid B, 7'-Alcohol 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036373	Ulocladol A 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MJ036374	Verticoic acid; Me ester 	C21H30O3	330.219494	NA	MeJP	NA	NA
+MetaCyc02898	testosterone acetate []	C21H30O3	330.219495	1045-69-8	metacyc	NA	NA
+MetaCyc02899	20-hydroxy-3-oxopregn-4-en-21-al []	C21H30O3	330.219495	NA	metacyc	NA	NA
+MetaCyc02900	17-&alpha;-hydroxyprogesterone []	C21H30O3	330.219495	NA	metacyc	NA	NA
+MetaCyc02901	16-&alpha;-hydroxyprogesterone [16-hydroxyprogesterone;16-&alpha;-hydroxyprogesterone;]	C21H30O3	330.219495	438-07-3	metacyc	NA	NA
+MetaCyc02902	11-deoxycorticosterone [deoxycorticosterone;cortexone;21-hydroxy-4-pregnene-3,20-dione;]	C21H30O3	330.219495	NA	metacyc	NA	NA
+MetaCyc02903	11&alpha;-Hydroxyprogesterone []	C21H30O3	330.219495	80-75-1	metacyc	NA	NA
+MetaCyc02904	17a-hydroxy-progesterone []	C21H30O3	330.219495	NA	metacyc	NA	NA
+C01176	17alpha-Hydroxyprogesterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C03027	Testosterone acetate	C21H30O3	330.2195	NA	KEGG	NA	NA
+C03205	11-Deoxycorticosterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C03747	11alpha-Hydroxyprogesterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C03748	16alpha-Hydroxyprogesterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C04108	20-Hydroxy-3-oxopregn-4-en-21-al	C21H30O3	330.2195	NA	KEGG	NA	NA
+C05498	11beta-Hydroxyprogesterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C10838	Turricolol E	C21H30O3	330.2195	NA	KEGG	NA	NA
+C14654	12alpha-Hydroxyprogesterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C14881	17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid,	C21H30O3	330.2195	NA	KEGG	NA	NA
+C14984	17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid,	C21H30O3	330.2195	NA	KEGG	NA	NA
+C14995	3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol	C21H30O3	330.2195	NA	KEGG	NA	NA
+C15132	11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione	C21H30O3	330.2195	NA	KEGG	NA	NA
+C15154	4beta,5beta-Epoxypregnane-3,20-dione	C21H30O3	330.2195	NA	KEGG	NA	NA
+C15364	15alpha-Hydroxyprogesterone	C21H30O3	330.2195	NA	KEGG	NA	NA
+C15409	17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate	C21H30O3	330.2195	NA	KEGG	NA	NA
+C16780	Jasmolin I	C21H30O3	330.2195	NA	KEGG	NA	NA
+PJ000335	ALK 	C15H30N4O4	330.2267	NA	PeJP	NA	NA
+MJ036375	Antibiotic KA 6606IX; 1-Epimer, 1-Me, 4',5'-dehydro 	C15H30N4O4	330.226705	NA	MeJP	NA	NA
+MJ036376	Dipiproverine 	C20H30N2O2	330.230728	NA	MeJP	NA	NA
+MJ036377	Furazabol 	C20H30N2O2	330.230728	NA	MeJP	NA	NA
+MJ036378	Guettardine 	C20H30N2O2	330.230728	NA	MeJP	NA	NA
+EUR116	9,10-13-TriHOME	C18H34O5	330.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR118	9,12-13-TriHOME	C18H34O5	330.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR116	9,10-13-TriHOME	C18H34O5	330.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR118	9,12-13-TriHOME	C18H34O5	330.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR116	9,10-13-TriHOME	C18H34O5	330.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR118	9,12-13-TriHOME	C18H34O5	330.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR116	9,10-13-TriHOME	C18H34O5	330.2406	Wishlist	Inhousejuil11	NA	NA
+EUR118	9,12-13-TriHOME	C18H34O5	330.2406	Wishlist	Inhousejuil11	NA	NA
+C14833	9,12,13-TriHOME	C18H34O5	330.2406	NA	KEGG	NA	NA
+C14835	9,10,13-TriHOME	C18H34O5	330.2406	NA	KEGG	NA	NA
+C14837	9,10-Dihydroxy-12,13-epoxyoctadecanoate	C18H34O5	330.2406	NA	KEGG	NA	NA
+MJ036379	5,8,12-Trihydroxy-9-octadecenoic acid 	C18H34O5	330.240624	NA	MeJP	NA	NA
+MJ036380	6,9,10-Trihydroxy-7-octadecenoic acid 	C18H34O5	330.240624	NA	MeJP	NA	NA
+MJ036381	8,11,12-Trihydroxy-9-octadecenoic acid 	C18H34O5	330.240624	NA	MeJP	NA	NA
+MJ036382	9,10,13-Trihydroxy-11-octadecenoic acid 	C18H34O5	330.240624	NA	MeJP	NA	NA
+MJ036383	9,10,18-Trihydroxy-12-octadecenoic acid 	C18H34O5	330.240624	NA	MeJP	NA	NA
+MJ036384	9,12,13-Trihydroxy-10,15-octadecadienoic acid, 15,16-Dihydro 	C18H34O5	330.240624	NA	MeJP	NA	NA
+MJ036385	9-Hydroxyoctadecanedioic acid 	C18H34O5	330.240624	NA	MeJP	NA	NA
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	HMDB	NA	NA
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	HMDB	NA	NA
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR116	9,10-13-TriHOME	C18H34O5	330.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR118	9,12-13-TriHOME	C18H34O5	330.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04708	9,12,13-TriHOME	C18H34O5	330.24063	http://www.hmdb.ca/metabolites/HMDB04708	HMDB	NA	NA
+HMDB04708	9,12,13-TriHOME	C18H34O5	330.24063	HMDB04708	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04708	9,12,13-TriHOME	C18H34O5	330.240631	NA	HMDB2010	NA	NA
+HMDB04710	9,10,13-TriHOME	C18H34O5	330.240631	NA	HMDB2010	NA	NA
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	HMDB	NA	NA
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	HMDB	NA	NA
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	Inhouse_PFEM	NA	NA
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	Inhouse_PFEM	NA	NA
+MJ036386	1(19),6,10(17),13-Xenicatetraen-18-ol; Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036387	1,3,7,11-Cembratetraen-13-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036388	1,3,7,11-Cembratetraen-14-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036389	1,3,7,11-Cembratetraen-6-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036390	1-Phenyl-1,3-hexadecanedione 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036391	13(17)-Villanoven-2-ol; 2?-form, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036392	13,17-Spatadien-5-ol; Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036393	16-Atisen-19-ol; ent-form, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036394	16-Kauren-18-ol; ent-form, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036395	16-Kauren-19-ol; ent-form, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036396	16-Kauren-7-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036397	2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol, 14,15-Dihydro 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036398	20-Methyl-4,7,10,13,16-heneicosapentaenoic acid 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036399	3,4-Secomansumbinoic acid 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036400	3,7,11,15-Cembratetraen-19-ol; Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036401	3,7,11,15-Cembratetraen-2-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036402	3-Hydroxy-13(17)-mansumbinen-16-one 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036403	4,7,10,13,16-Docosapentaenoic acid 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036404	4,8,12,15,19-Docosapentaenoic acid 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036405	4,8,18-Dolabellatrien-16-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036406	4,8,18-Dolabellatrien-3-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036407	5,8,11,14,17-Eicosapentaenoic acid, Et ester 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036408	6-(5,8,11-Heptadecatrienyl)-5,6-dihydro-2H-pyran-2-one 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036409	7,10,13,16,19-Docosapentaenoic acid 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036410	7,13-Abietadien-2-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036411	7,15-Isopimaradien-17-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036412	7,15-Pimaradien-18-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036413	7-Hydroxy-1,3,5,10,14-phytapentaen-13-one, Et ether 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036414	7-Trachylobanol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036415	8(17),12,14-Labdatrien-19-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036416	8(17),12,14-Labdatrien-3-ol, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036417	8,11,13-Abietatriene-2,12-diol; 2?-form, Di-Me ether 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036418	9(11),15-Pimaradien-19-ol; ent-form, Ac 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036419	Anagestone 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036420	Cannabigerol; Mono-Me ether 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036421	Clathrin A 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036422	Durbinal C 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MJ036423	Topterone 	C22H34O2	330.25588	NA	MeJP	NA	NA
+MetaCyc02905	taxa-4(20),11-dien-5-&alpha;-yl acetate []	C22H34O2	330.25588	NA	metacyc	NA	NA
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR124	docosapentaenoic acid	C22H34O2	330.25588	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.25588	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01976	Docosapentaenoic acid	C22H34O2	330.25589	http://www.hmdb.ca/metabolites/HMDB01976	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01976	Docosapentaenoic acid	C22H34O2	330.25589	http://www.hmdb.ca/metabolites/HMDB01976	HMDB	NA	NA
+HMDB01976	Docosapentaenoic acid	C22H34O2	330.25589	http://www.hmdb.ca/metabolites/HMDB01976	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01976	Docosapentaenoic acid	C22H34O2	330.25589	HMDB01976	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01976	Docosapentaenoic acid	C22H34O2	330.25589	NA	HMDB2010	NA	NA
+HMDB06528	Clupanodonic acid	C22H34O2	330.25589	NA	HMDB2010	NA	NA
+HMDB13123	4,7,10,13,16-Docosapentaenoic acid	C22H34O2	330.25589	NA	HMDB2010	NA	NA
+EUR124	docosapentaenoic acid	C22H34O2	330.2559	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.2559	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR124	docosapentaenoic acid	C22H34O2	330.2559	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.2559	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR124	docosapentaenoic acid	C22H34O2	330.2559	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.2559	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR124	docosapentaenoic acid	C22H34O2	330.2559	Wishlist	Inhousejuil11	NA	NA
+EUR128	n-3docosapentaenoicacid (C22:5)	C22H34O2	330.2559	Wishlist	Inhousejuil11	NA	NA
+C11896	Taxa-4(20),11(12)-dien-5alpha-yl acetate	C22H34O2	330.2559	NA	KEGG	NA	NA
+C15413	17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one	C22H34O2	330.2559	NA	KEGG	NA	NA
+C15421	2-Methyl-5alpha-androst-2-en-17beta-ol acetate	C22H34O2	330.2559	NA	KEGG	NA	NA
+C16184	(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid ethyl ester	C22H34O2	330.2559	NA	KEGG	NA	NA
+C16513	(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid	C22H34O2	330.2559	NA	KEGG	NA	NA
+C16514	Beta-amyloid protein 40	C22H34O2	330.2559	NA	KEGG	NA	NA
+C16515	Beta-amyloid protein 42	C22H34O2	330.2559	NA	KEGG	NA	NA
+MJ036424	Sameridine 	C21H34N2O	330.267113	NA	MeJP	NA	NA
+HMDB11533	MG(0:0/16:0/0:0)	C19H38O4	330.277008	NA	HMDB2010	NA	NA
+HMDB11564	MG(16:0/0:0/0:0)	C19H38O4	330.277008	NA	HMDB2010	NA	NA
+MJ036425	Glycerol 1-alkanoates; Glycerol 1-(14-methylpentadecanoate) 	C19H38O4	330.277009	NA	MeJP	NA	NA
+MJ036426	16-Tricosene-2,4-diyn-1-ol 	C23H38O	330.292265	NA	MeJP	NA	NA
+MJ036427	2-(1,10-Nonadecadienyl)furan 	C23H38O	330.292265	NA	MeJP	NA	NA
+MJ036428	3-Heptadecylphenol; 12',13'-Didehydro 	C23H38O	330.292265	NA	MeJP	NA	NA
+MJ036429	3-Heptadecylphenol; 7',8'-Didehydro(Z-) 	C23H38O	330.292265	NA	MeJP	NA	NA
+MJ036430	3-Heptadecylphenol; 8',9'-Didehydro 	C23H38O	330.292265	NA	MeJP	NA	NA
+MJ036431	Teprenone 	C23H38O	330.292265	NA	MeJP	NA	NA
+C13297	Geranylgeranylacetone	C23H38O	330.2923	NA	KEGG	NA	NA
+C13298	Transferred to D01828	C23H38O	330.2923	NA	KEGG	NA	NA
+MJ036432	20-Fluoroeicosanoic acid 	C20H39FO2	330.293408	NA	MeJP	NA	NA
+MJ036433	Pregn-5-ene-3,20-diamine, N20-Me 	C22H38N2	330.303499	NA	MeJP	NA	NA
+MJ036434	Pregn-5-ene-3,20-diamine, N3-Me 	C22H38N2	330.303499	NA	MeJP	NA	NA
+MJ036435	3-[(13-Methylhexadecyl)oxy]-1,2-propanediol 	C20H42O3	330.313395	NA	MeJP	NA	NA
+MJ036436	Des-A-lup-9-ene; 9?,10?-Dihydro 	C24H42	330.328651	NA	MeJP	NA	NA
+MJ036437	Secohopane I 	C24H42	330.328651	NA	MeJP	NA	NA
+3584	NA	GRKSSK	330.687	MH2+	Inhouse_peptide	NA	peptide
+MJ036438	Convolutamydines; Convolutamydine D 	C10H7Br2NO2	330.884353	NA	MeJP	NA	NA
+MJ036439	Antibiotic TAN 876A 	C13H8Cl3NO3	330.956976	NA	MeJP	NA	NA
+MJ036440	Mitotenamine 	C13H15BrClNS	330.97971	NA	MeJP	NA	NA
+C07763	Hydroflumethiazide	C8H8F3N3O4S2	330.9908	NA	KEGG	NA	NA
+MJ036441	Hydroflumethiazide 	C8H8F3N3O4S2	330.990831	NA	MeJP	NA	NA
+C10979	Chlozolinate	C13H11Cl2NO5	331.0014	NA	KEGG	NA	NA
+MJ036442	Butadiazamide 	C12H14ClN3O2S2	331.021595	NA	MeJP	NA	NA
+MJ036443	3,4-Dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-1(2H)-quinoxalineacetic acid 	C13H9N5O6	331.055283	NA	MeJP	NA	NA
+MJ036444	8-Bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol 	C17H18BrNO	331.057176	NA	MeJP	NA	NA
+MJ036445	Piroxicam 	C15H13N3O4S	331.062676	NA	MeJP	NA	NA
+C01608	Piroxicam	C15H13N3O4S	331.0627	NA	KEGG	NA	NA
+C01609	Protamine	C15H13N3O4S	331.0627	NA	KEGG	NA	NA
+MJ036446	Tibric acid 	C14H18ClNO4S	331.064506	NA	MeJP	NA	NA
+MJ036447	dAMP 	C10H14N5O6P	331.068169	NA	MeJP	NA	NA
+MJ036448	Zidovudine; 5'-(Hydrogen phosphonate) 	C10H14N5O6P	331.068169	NA	MeJP	NA	NA
+MetaCyc02906	dAMP [2'-deoxyadenosine-5'-phosphate;deoxyadenosine-phosphate;2'-deoxyadenosine-5'-monophosphate;]	C10H14N5O6P1	331.06817	653-63-4	metacyc	NA	NA
+HMDB00905	Deoxyadenosine monophosphate	C10H14N5O6P	331.068176	NA	HMDB2010	NA	NA
+HMDB00905	Deoxyadenosine monophosphate	C10H14N5O6P	331.06818	http://www.hmdb.ca/metabolites/HMDB00905	HMDB	NA	NA
+HMDB00905	Deoxyadenosine monophosphate	C10H14N5O6P	331.06818	HMDB00905	PFEM_hmdb_metabocards_official	NA	NA
+C00360	dAMP	C10H14N5O6P	331.0682	NA	KEGG	NA	NA
+MJ036449	Eudistalbin A 	C16H18BrN3	331.06841	NA	MeJP	NA	NA
+MJ036450	2-[(Nitroxy)methyl]phenyl 2-(acetyloxy)benzoate 	C16H13NO7	331.069201	NA	MeJP	NA	NA
+MJ036451	3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid, 5-Deoxy 	C16H13NO7	331.069201	NA	MeJP	NA	NA
+MJ036452	Cercosporamide 	C16H13NO7	331.069201	NA	MeJP	NA	NA
+MJ036453	8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid; 2-Acetylhydrazide 	C16H14ClN3O3	331.072369	NA	MeJP	NA	NA
+MJ036454	Glypinamide 	C13H18ClN3O3S	331.075739	NA	MeJP	NA	NA
+MJ036455	1-(2-Chloro-9H-thioxanthen-9-ylidene)-3-(dimethylamino)-1-propanone 	C18H18ClNOS	331.079762	NA	MeJP	NA	NA
+MJ036456	Zotepine 	C18H18ClNOS	331.079762	NA	MeJP	NA	NA
+MJ036457	Genaconazole 	C13H15F2N3O3S	331.080218	NA	MeJP	NA	NA
+MJ036458	Disuprazole 	C16H17N3OS2	331.081303	NA	MeJP	NA	NA
+FL7ABHNS0001	Europinidin	C17H15O7	331.08177	19077-87-3	knapsack	NA	NA
+HMDB03201	Malvidin	C17H15O7	331.08179	http://www.hmdb.ca/metabolites/HMDB03201	HMDB	NA	NA
+HMDB03201	Malvidin	C17H15O7	331.08179	HMDB03201	PFEM_hmdb_metabocards_official	NA	NA
+C08716	Malvidin	C17H15O7	331.0818	NA	KEGG	NA	NA
+MJ036459	Avicine 	C20H14NO4(+)	331.084457	NA	MeJP	NA	NA
+MJ036460	Lahorine 	C20H14NO4(+)	331.084457	NA	MeJP	NA	NA
+MJ036461	Sanguinarine 	C20H14NO4(+)	331.084457	NA	MeJP	NA	NA
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR228	Acide sialique F2	NA	331.089675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR228	Acide sialique F2	NA	331.089675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR228	Acide sialique F2	NA	331.089675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR228	Acide sialique F2	NA	331.089675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR228	sialic acid F2	F2	331.089675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ036462	Tilozepine 	C17H18ClN3S	331.090995	NA	MeJP	NA	NA
+MJ036463	Phidolopin 	C14H13N5O5	331.091668	NA	MeJP	NA	NA
+MJ036464	Euxylophoricine C 	C19H13N3O3	331.095691	NA	MeJP	NA	NA
+MJ036465	2-[4-Methoxy-2-[2-(methylsulfinyl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine 	C16H17N3O3S	331.099062	NA	MeJP	NA	NA
+MJ036466	5-(Carboxymethylaminomethyl)uridine 	C12H17N3O8	331.101564	NA	MeJP	NA	NA
+CJneg0531	N4-acetylcytidine [(M-H)+(HCOOH)]-	C12H16N3O8	331.102125	C18rt(min)=4.51 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0531	N4-acetylcytidine [(M-H)+(HCOOH)]-	C12H16N3O8	331.102125	C18rt(min)=4.51 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ036467	1,2,3,5,6-Pentahydroxyacridone; 2,3,5,10-Tetra-Me 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036468	1,2,3,5,6-Pentahydroxyacridone; 2,3,5,6-Tetra-Me ether 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036469	1,2,3,5,6-Pentahydroxyacridone; 2,5,6,10-Tetra-Me 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036470	1,3,4,5,6-Pentahydroxyacridone; N,O3,O4,O5-Tetra-Me 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036471	Citbrasine 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036472	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 6,7-Methylene ether, 4-O-(2?,3-dihydroxy-3-methylbutyl) 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036473	Hippeastrine, N-Oxide 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036474	Krigeine; 7-Ketone (lactone), O-de-Me 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+MJ036475	Schumannificine; N-Me 	C17H17NO6	331.105587	NA	MeJP	NA	NA
+C10718	Maculosine	C17H17NO6	331.1056	NA	KEGG	NA	NA
+MJ036476	Nizatidine 	C12H21N5O2S2	331.113666	NA	MeJP	NA	NA
+C07270	Nizatidine	C12H21N5O2S2	331.1137	NA	KEGG	NA	NA
+MJ036477	Atpenin; Atpenin A5 	C15H22ClNO5	331.11865	NA	MeJP	NA	NA
+C03996	5'-O-beta-D-Glucosylpyridoxine	C14H21NO8	331.1267	NA	KEGG	NA	NA
+MetaCyc02907	5'-O-&beta;-D-glucosylpyridoxine []	C14H21N1O8	331.126717	NA	metacyc	NA	NA
+8088	peptide derived from tuna cooking juice	PHHADS	331.13195	MH2+	Inhouse_peptide	NA	peptide
+MJ036478	Angustoline 	C20H17N3O2	331.132076	NA	MeJP	NA	NA
+MJ036479	Dehydroevodiamine; 10-Methoxy 	C20H17N3O2	331.132076	NA	MeJP	NA	NA
+C05349	Ciprofloxacin	C17H18FN3O3	331.1332	NA	KEGG	NA	NA
+MJ036480	Ciprofloxacin 	C17H18FN3O3	331.133219	NA	MeJP	NA	NA
+MJ036481	Chlordimorine 	C19H22ClNO2	331.133906	NA	MeJP	NA	NA
+MJ036482	Difencloxazine 	C19H22ClNO2	331.133906	NA	MeJP	NA	NA
+3810	NA	MQFHT	331.1357	MH2+	Inhouse_peptide	NA	peptide
+2872	opioid lipotropin fr:14-17	NAGA	331.1379	antibacterial	Inhouse_peptide	NA	peptide
+PJ000336	SPE 	C13H21N3O7	331.138	NA	PeJP	NA	NA
+MJ036483	Flazalone 	C19H19F2NO2	331.138385	NA	MeJP	NA	NA
+MJ036484	3,4,7-Trihydroxy-8-prenyl-2-quinolinecarboxylic acid; NH-form, O3,N-Di-Me, Me ester 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036485	6-Hydroxycrinamine, 6-Me ether 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036486	Ambelline 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036487	Amikhelline 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036488	Bowdensine; Demethoxy, O1-de-Ac 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036489	Brunsdonnine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036490	Cephalotaxine, 11-Hydroxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036491	Cephalotaxine, 4-Hydroxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036492	Corcovadine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036493	Crinamidine, Me ether 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036494	Crinatine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036495	Crispanine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036496	Criwelline 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036497	Delagoensine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036498	Drupacine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036499	Erysotinone, 11-Hydroxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036500	Erythratine; 11-Hydroxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036501	Falcatine; 2?-Methoxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036502	Galanthine; O2,O9-Di-de-Me, 1-Ac 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036503	Haemanthidine, O6-Me 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036504	Homolycorine; 5?-Hydroxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036505	Homolycorine; N-Oxide (?-) 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036506	Homolycorine; O9-De-Me, 5?-methoxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036507	Krigeine; 5-Deoxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036508	Macronine, 3-Epimer, 1,2-dihydro 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036509	Macronine, 3-Epimer, 4a-hydroxy, 8-deoxo 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036510	Nerundine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036511	Pancratium Base 31 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036512	Powelline; 6?-Hydroxy, O3-Me 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036513	Pretazettine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036514	Protokylol 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036515	Pseudolycorine; 1-O-Ac 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036516	Pseudolycorine; 2-O-Ac 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036517	Ptelecortine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036518	Pteleprenine; ?3',4'-Isomer, 2'?-methoxy 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036519	Sinococuline; 16,17-Didehydro 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036520	Squamigerine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036521	Stemonamide 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036522	Stephaboline; 7-Ketone 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036523	Tazettine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036524	Unsevine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+MJ036525	Vallotidine 	C18H21NO5	331.141972	NA	MeJP	NA	NA
+C08517	Ambelline	C18H21NO5	331.142	NA	KEGG	NA	NA
+C08536	Pretazettine	C18H21NO5	331.142	NA	KEGG	NA	NA
+C12179	Tazettine	C18H21NO5	331.142	NA	KEGG	NA	NA
+C12237	2-O-Acetylpseudolycorine	C18H21NO5	331.142	NA	KEGG	NA	NA
+MJ036526	Quinazopyrine 	C19H17N5O	331.14331	NA	MeJP	NA	NA
+PJ000337	GQQ 	C12H21N5O6	331.1492	NA	PeJP	NA	NA
+MJ036527	8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2,3-dihydro-6-methoxy-2-oxo-1H-benzimidazole-1-carboxylate 	C17H21N3O4	331.153206	NA	MeJP	NA	NA
+MJ036528	Phenaz 	C17H21N3O4	331.153206	NA	MeJP	NA	NA
+MJ036529	Trimetamide 	C17H21N3O4	331.153206	NA	MeJP	NA	NA
+MJ036530	Alitame 	C14H25N3O4S	331.156576	NA	MeJP	NA	NA
+PJ000338	PCL 	C14H25N3O4S	331.1566	NA	PeJP	NA	NA
+C10727	Melochinone	C22H21NO2	331.1572	NA	KEGG	NA	NA
+MJ036531	Melochinone 	C22H21NO2	331.157228	NA	MeJP	NA	NA
+MJ036532	Ficuseptine 	C22H22NO2(+)	331.157228	NA	MeJP	NA	NA
+7824	ACE inhibitor from micro algae	IAE	331.163	antithrombotic	Inhouse_peptide	NA	peptide
+7750	ACE inhibitor (tynorphin)	VVYPW	331.165	MH2+	Inhouse_peptide	NA	peptide
+22	Hemoglobin	VVYPW	331.166	MH2+	Inhouse_peptide	NA	peptide
+MJ036533	Thiolstatin; Thiolstatin A 	C13H25N5O3S	331.16781	NA	MeJP	NA	NA
+MJ036534	Almazole C 	C21H21N3O	331.168462	NA	MeJP	NA	NA
+MJ036535	Clofenetamine 	C20H26ClNO	331.170292	NA	MeJP	NA	NA
+PJ000339	ALE 	C14H25N3O6	331.1744	NA	PeJP	NA	NA
+MJ036536	2-(?-Hydroxybenzyl)-3-tropanol, Di-Ac 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036537	2-Hydroxyisotaxodine 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036538	Athrocupressine; Me ether, 3,16-di-O-de-Me 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036539	Belladine; 3''-Methoxy, N-de-Me 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036540	Bucharaine 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036541	Bucharidine 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036542	Chingchengenamide A; 5'-Methoxy 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036543	Erythratidine 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036544	Galanthamine, 1,2-Dihydro, O-Ac 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036545	Kesselridine; O12-Me 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036546	Kesselridine; O6-Me 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036547	Lycorenine; Et ether, O8-de-Me 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036548	Lycorenine; Me ether 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036549	Mesembrenol; Ac 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036550	Misramine 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036551	Pandamarilactone 31 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036552	Papyramine; Me ether 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036553	Roehybrine 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036554	Salmefamol 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036555	Solanapyrone B; 1''-Aldehyde, 4'-demethoxy, 4'-[(2-hydroxyethyl)amino] 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+MJ036556	Tetramethrin, ANSI 	C19H25NO4	331.178358	NA	MeJP	NA	NA
+C09424	Erythratidine	C19H25NO4	331.1784	NA	KEGG	NA	NA
+C10649	Bucharaine	C19H25NO4	331.1784	NA	KEGG	NA	NA
+C10652	Bucharidine	C19H25NO4	331.1784	NA	KEGG	NA	NA
+C11771	Salmefamol	C19H25NO4	331.1784	NA	KEGG	NA	NA
+C12241	O-Methyllycorenine	C19H25NO4	331.1784	NA	KEGG	NA	NA
+MJ036557	Aladapcin 	C13H25N5O5	331.185568	NA	MeJP	NA	NA
+PJ000340	GQK 	C13H25N5O5	331.1856	NA	PeJP	NA	NA
+MJ036558	Azaloxan 	C18H25N3O3	331.189591	NA	MeJP	NA	NA
+C09220	Mahanimbine	C23H25NO	331.1936	NA	KEGG	NA	NA
+MJ036559	Bicyclomahanimbicine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036560	Bicyclomahanimbine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036561	Currayangine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036562	Currayanine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036563	Decitropine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036564	Eustifoline B 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036565	Isomurrayazoline 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036566	Mahanimbicine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036567	Mahanimbine 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036568	Murrayamine F; Demethoxy 	C23H25NO	331.193614	NA	MeJP	NA	NA
+MJ036569	Prizidilol 	C17H25N5O2	331.200825	NA	MeJP	NA	NA
+MJ036570	Centhaquine 	C22H25N3	331.204847	NA	MeJP	NA	NA
+PJ000341	SLL 	C15H29N3O5	331.2107	NA	PeJP	NA	NA
+MJ036571	Marimastat 	C15H29N3O5	331.210721	NA	MeJP	NA	NA
+C09888	Megastachine	C20H29NO3	331.2147	NA	KEGG	NA	NA
+MJ036572	Echinophyllin C 	C20H29NO3	331.214743	NA	MeJP	NA	NA
+MJ036573	Echinophyllin F 	C20H29NO3	331.214743	NA	MeJP	NA	NA
+MJ036574	Ipragratine 	C20H29NO3	331.214743	NA	MeJP	NA	NA
+MJ036575	Lucidinine; Me ether, 1,2-dihydro 	C20H29NO3	331.214743	NA	MeJP	NA	NA
+MJ036576	Megastachine 	C20H29NO3	331.214743	NA	MeJP	NA	NA
+MJ036577	Oxyclipine 	C20H29NO3	331.214743	NA	MeJP	NA	NA
+PJ000342	GKK 	C14H29N5O4	331.222	NA	PeJP	NA	NA
+CJpos0760	17-Hydroxyprogesterone [(M+H)]+ (13C)	C2013CH31O3	331.222275	C18rt(min)=9.81 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0761	Deoxycorticosterone [(M+H)]+ (13C)	C2013CH31O3	331.222275	C18rt(min)=9.61 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0760	17-Hydroxyprogesterone [(M+H)]+ (13C)	C2013CH31O3	331.222275	C18rt(min)=9.81 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0761	Deoxycorticosterone [(M+H)]+ (13C)	C2013CH31O3	331.222275	C18rt(min)=9.61 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ036578	Amindocate 	C19H29N3O2	331.225977	NA	MeJP	NA	NA
+MJ036579	Batebulast 	C19H29N3O2	331.225977	NA	MeJP	NA	NA
+MJ036580	10-Isothiocyanato-4,15-bifloradiene 	C21H33NS	331.23337	NA	MeJP	NA	NA
+MJ036581	3-Amino-12-hydroxypregnan-20-one, 15,16-Didehydro 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036582	3-Amino-15-hydroxypregn-5-en-20-one 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036583	3-Aminopregn-5-en-20-one; 3?-form, 15?-Hydroxy 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036584	3-Aminopregna-5,17(20)-diene-2,16-diol 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036585	Elisabethamine 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036586	Himbacine; N-De-Me 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036587	N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide 	C21H33NO2	331.251129	NA	MeJP	NA	NA
+MJ036588	Dendrobine, N-(3-Methyl-2-butenyl) 	C21H34NO2(+)	331.251129	NA	MeJP	NA	NA
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR460	Dehydrotestosterone glucuronide F5	NA	331.252875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR460	Dehydrotestosterone glucuronide F5	NA	331.252875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR460	Dehydrotestosterone glucuronide F5	NA	331.252875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR460	Déhydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR460	Dehydrotestosterone glucuronide F5	NA	331.252875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR460	Dehydrotestosterone glucuronide F5	F5	331.252875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ036589	20-Aminopregn-5-en-3-ol, N-Me 	C22H37NO	331.287514	NA	MeJP	NA	NA
+MJ036590	20-Aminopregnan-3-one, N-Me 	C22H37NO	331.287514	NA	MeJP	NA	NA
+MJ036591	3-Aminopregn-5-en-20-ol, N-Me 	C22H37NO	331.287514	NA	MeJP	NA	NA
+MJ036592	3-Aminopregnan-20-one, N-Me 	C22H37NO	331.287514	NA	MeJP	NA	NA
+MJ036593	Irnigaine; N-Me 	C22H37NO	331.287514	NA	MeJP	NA	NA
+MJ036594	N,N'-Bis(3,7-dimethyl-2,6-octadienyl)guanidine 	C21H37N3	331.298748	NA	MeJP	NA	NA
+MJ036595	N,N-Bis(3,7-dimethyl-2,6-octadienyl)guanidine 	C21H37N3	331.298748	NA	MeJP	NA	NA
+MJ036596	1-Pentadecylamine; N-Benzyl, N-Me 	C23H41N	331.3239	NA	MeJP	NA	NA
+3191	cuprum binding peptide	GGHTRH	331.653	MH2+	Inhouse_peptide	NA	peptide
+MJ036597	7-Bromo-4,6,8-trichloro-2,6-dimethyl-1,4-octadien-3-one 	C10H12BrCl3O	331.91371	NA	MeJP	NA	NA
+C15234	Lead nitrate	2NO3	331.9523	NA	KEGG	NA	NA
+MJ036598	4,4'-Diisothiocyanatodiphenyl sulfide; S,S-Dioxide 	C14H8N2O2S3	331.974789	NA	MeJP	NA	NA
+MJ036599	2,2',6,6'-Tetrachloro-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether; 6-Dechloro 	C14H11Cl3O3	331.977377	NA	MeJP	NA	NA
+MJ036600	Brivudine 	C11H13BrN2O5	332.000784	NA	MeJP	NA	NA
+MJ036601	Fallacinal; 6-Chloro 	C16H9ClO6	332.008765	NA	MeJP	NA	NA
+MJ036602	Diaporthin, 3',3'-Dichloro, 8-Me ether 	C14H14Cl2O5	332.021828	NA	MeJP	NA	NA
+MJ036603	Aplysinopsin; 6-Bromo 	C14H13BrN4O	332.027273	NA	MeJP	NA	NA
+MetaCyc02908	reduced pyrroloquinoline-quinone [PQQH2;]	C14H8N2O8	332.028065	NA	metacyc	NA	NA
+C01359	PQQH2	C14H8N2O8	332.0281	NA	KEGG	NA	NA
+C01362	Ricin	C14H8N2O8	332.0281	NA	KEGG	NA	NA
+MJ036604	Oxo[4-[[2-[(1H-pyrrol-2-ylmethyl)amino]ethyl]imino]-2-pentanonato(3-)-N,N',N'',O]technetium 	C12H16N3O2Tc	332.031467	NA	MeJP	NA	NA
+MJ036605	Chloro(diethylenetriamine)platinum(1+) 	C4H13ClN3Pt(+)	332.036749	NA	MeJP	NA	NA
+MJ036606	Chlorotetaine; Bromo analogue 	C12H17BrN2O4	332.037169	NA	MeJP	NA	NA
+MJ036607	2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 1,3-Di-Me ether 	C17H13ClO5	332.045151	NA	MeJP	NA	NA
+MJ036608	2-Chloro-1,3,8-trihydroxy-6-methylanthraquinone; 3,8-Di-Me ether 	C17H13ClO5	332.045151	NA	MeJP	NA	NA
+HMDB06555	dIMP	C10H13N4O7P	332.052185	NA	HMDB2010	NA	NA
+MetaCyc02909	dIMP []	C10H13N4O7P1	332.052185	NA	metacyc	NA	NA
+HMDB06555	dIMP	C10H13N4O7P	332.05219	http://www.hmdb.ca/metabolites/HMDB06555	HMDB	NA	NA
+HMDB06555	dIMP	C10H13N4O7P	332.05219	HMDB06555	PFEM_hmdb_metabocards_official	NA	NA
+C05325	Purine mononucleotide	C10H13N4O7P	332.0522	NA	KEGG	NA	NA
+C05326	Uridylyl-[protein-PII]	C19H21N4O11PR2	332.0522	NA	KEGG	NA	NA
+C06196	2'-Deoxyinosine 5'-phosphate	C10H13N4O7P	332.0522	NA	KEGG	NA	NA
+C04527	3,3',4',5,7-Pentahydroxy-8-methoxyflavone	C16H12O8	332.0532	NA	KEGG	NA	NA
+C10118	Patuletin	C16H12O8	332.0532	NA	KEGG	NA	NA
+C12633	Laricitrin	C16H12O8	332.0532	NA	KEGG	NA	NA
+FL1BUNNS0001	Crombenin	C16H12O8	332.05321	37486-29-6	knapsack	NA	NA
+FL3FFGNS0001	3',4',5'-Trihydroxywogonin	C16H12O8	332.05321	641-87-2	knapsack	NA	NA
+FL3FGCNS0002	5,7,8,3',4'-Pentahydroxy-6-methoxyflavone	C16H12O8	332.05321	90851-12-0	knapsack	NA	NA
+FL5FAGNM0001	Pinomyricetin	C16H12O8	332.05321	552-50-1	knapsack	NA	NA
+FL5FAHNS0001	Laricitrin	C16H12O8	332.05321	53472-37-0	knapsack	NA	NA
+FL5FAJNS0001	Mearnsetin	C16H12O8	332.05321	16805-10-0	knapsack	NA	NA
+FL5FBGNS0001	Myricetin 5-methyl ether	C16H12O8	332.05321	19077-84-0	knapsack	NA	NA
+FL5FCGNS0001	Europetin	C16H12O8	332.05321	16280-27-6	knapsack	NA	NA
+FL5FDGNS0001	Annulatin	C16H12O8	332.05321	1486-67-5	knapsack	NA	NA
+FL5FECNS0003	Quercetagetin 3-methyl ether	C16H12O8	332.05321	64190-88-1	knapsack	NA	NA
+FL5FECNS0004	Allopatuletin	C16H12O8	332.05321	74517-74-1	knapsack	NA	NA
+FL5FECNS0005	Patuletin;3,5,7,3',4'-Pentahydroxy-6-methoxyflavone;6-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one	C16H12O8	332.05321	519-96-0	knapsack	NA	NA
+FL5FECNS0006	Quercetagetin 7-methyl ether	C16H12O8	332.05321	4382-57-4	knapsack	NA	NA
+FL5FECNS0007	Quercetagetin 3'-methyl ether	C16H12O8	332.05321	57093-48-8	knapsack	NA	NA
+FL5FECNS0008	Quercetagetin 4'-methyl ether	C16H12O8	332.05321	161585-86-0	knapsack	NA	NA
+FL5FFCNS0002	Gossypetin 3-methyl ether	C16H12O8	332.05321	86749-51-1	knapsack	NA	NA
+FL5FFCNS0003	Ranupetin	C16H12O8	332.05321	18799-01-4	knapsack	NA	NA
+FL5FFCNS0004	Corniculatusin	C16H12O8	332.05321	27500-34-1	knapsack	NA	NA
+FL5FFCNS0005	Haplogenin	C16H12O8	332.05321	75055-88-8	knapsack	NA	NA
+MJ036609	1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone; 1-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036610	1,2,4,5,6,8-Hexahydroxy-3-methylanthraquinone; 6-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036611	3',4',5,5',7,8-Hexahydroxyflavone; 8-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036612	3',4',5,5',7-Pentahydroxy-3-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036613	3',4',5,6,7,8-Hexahydroxyflavone; 6-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036614	3',4',5,6,7-Pentahydroxy-3-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036615	3,3',4',5',7-Pentahydroxy-5-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036616	3,3',4',5,5',7-Hexahydroxy-6-methylflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036617	3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036618	3,3',4',5,6,7-Hexahydroxyflavone; 4'-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036619	3,3',4',5,6,7-Hexahydroxyflavone; 5-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036620	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036621	3,3',4',5,7,8-Hexahydroxyflavone; 3-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036622	3,3',4',5,7-Pentahydroxy-6-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036623	3,3',4',5,7-Pentahydroxy-8-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036624	3,3',5,5',7-Pentahydroxy-4'-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036625	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036626	3,4',5,6,7-Pentahydroxy-3'-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036627	3,4',5,7,8-Pentahydroxy-3'-methoxyflavone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036628	3,4,6,8-Tetrahydroxyxanthone-1-carboxylic acid; 4,6-Di-Me ether 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036629	Crombenin 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MJ036630	Vaccaxanthone 	C16H12O8	332.053217	NA	MeJP	NA	NA
+MetaCyc02910	3,3',4',5,7-pentahydroxy-8-methoxyflavone []	C16H12O8	332.053217	NA	metacyc	NA	NA
+MJ036631	10-Bromo-2-chloro-2,7(14)-chamigradien-9-ol 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036632	2-Bromo-3-chloro-5,10-epoxy-7(14)-chamigrene 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036633	2-Bromo-3-chloro-7(14),8-chamigradien-5-ol 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036634	2-Bromo-3-chloro-7-chamigren-9-one 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036635	3-Bromo-2-chloro-7-chamigren-9-one 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036636	Isorhodolaureol 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036637	Rhodolauradiol; 10-Deoxy, 1,10-didehydro 	C15H22BrClO	332.054255	NA	MeJP	NA	NA
+MJ036638	4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol; 2-Chloro, 1-(3-methylbutanoyl) 	C18H17ClO2S	332.063778	NA	MeJP	NA	NA
+MJ036639	8-Methoxy-3-methylbenz[a]anthracene-1,4,7,12-tetrone 	C20H12O5	332.068473	NA	MeJP	NA	NA
+MJ036640	Fluorescein 	C20H12O5	332.068473	NA	MeJP	NA	NA
+MJ036641	Halenaquinol; 12,15-Quinone 	C20H12O5	332.068473	NA	MeJP	NA	NA
+MJ036642	Hypoxylone 	C20H12O5	332.068473	NA	MeJP	NA	NA
+MJ036643	Palmarumycin CP1; 2?,3?-Epoxide 	C20H12O5	332.068473	NA	MeJP	NA	NA
+C10355	Hypoxylone	C20H12O5	332.0685	NA	KEGG	NA	NA
+C01158	1-O-Galloyl-beta-D-glucose	C13H16O10	332.0743	NA	KEGG	NA	NA
+MJ036644	2-C-Hydroxymethylribose; D-Furanose-form, 5-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036645	2-Galloylglucose 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036646	3,4,5-Trihydroxybenzoic acid; 3-O-?-D-Glucopyranoside 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036647	3,4,5-Trihydroxybenzoic acid; 4-O-?-D-Glucopyranoside 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036648	3,4,5-Trihydroxybenzoic acid; ?-D-Glucopyranosyl ester 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036649	6-Galloylglucose 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036650	Fructose, 1-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MJ036651	Fructose, 6-O-(3,4,5-Trihydroxybenzoyl) 	C13H16O10	332.074346	NA	MeJP	NA	NA
+MetaCyc02911	1-O-galloyl-&beta;-D-glucose [1-galloyl-&beta;-glucose;&beta;-glucogallin;]	C13H16O10	332.074347	554-37-0	metacyc	NA	NA
+MJ036652	4,4'-Diaminodiphenyl sulfone; N,N'-Di-Ac 	C16H16N2O4S	332.083077	NA	MeJP	NA	NA
+MJ036653	5-Hydroxyuridine; 5-O-(Methoxycarbonylmethyl) 	C12H16N2O9	332.08558	NA	MeJP	NA	NA
+MJ036654	Uridine-5-acetic acid; 1''S-Hydroxy, Me ester 	C12H16N2O9	332.08558	NA	MeJP	NA	NA
+C00495	Sulochrin	C17H16O7	332.0896	NA	KEGG	NA	NA
+C00496	Ubiquitin	C17H16O7	332.0896	NA	KEGG	NA	NA
+FL2FCHNS0001	Dihydrotricetin 7,3'-dimethyl ether	C17H16O7	332.0896	92585-20-1	knapsack	NA	NA
+FL2FE8NS0006	Dioclein;5,2',5'-Trihydroxy-6,7-dimethoxyflavanone	C17H16O7	332.0896	161748-44-3	knapsack	NA	NA
+FL2FF8NS0004	5,2',5'-Trihydroxy-7,8-dimethoxyflavanone	C17H16O7	332.0896	111199-93-0	knapsack	NA	NA
+FL2FFCNS0001	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone	C17H16O7	332.0896	100009-93-6	knapsack	NA	NA
+FL4DA8NS0004	3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone	C17H16O7	332.0896	74175-80-7	knapsack	NA	NA
+FL4DA8NS0007	3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone	C17H16O7	332.0896	188440-69-9	knapsack	NA	NA
+FL4DCDNS0001	Taxifolin 7,3'-dimethyl ether	C17H16O7	332.0896	37971-67-8	knapsack	NA	NA
+FL4DCENS0001	Taxifolin 7,4'-dimethyl ether; (2R,3R)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone	C17H16O7	332.0896	79995-67-8	knapsack	NA	NA
+FL4DCENS0002	(2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone	C17H16O7	332.0896	307499-82-7	knapsack	NA	NA
+FL4DEANS0003	3,5,4'-Trihydroxy-6,7-dimethoxyflavanone	C17H16O7	332.0896	75457-73-1	knapsack	NA	NA
+FL4DEANS0004	3,5,7-Trihydroxy-6,4'-dimethoxyflavanone	C17H16O7	332.0896	143114-81-2	knapsack	NA	NA
+FL4DF8NS0001	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone	C17H16O7	332.0896	110065-75-3	knapsack	NA	NA
+FL4DFANS0002	3,5,7-Trihydroxy-8,4'-dimethoxyflavanone	C17H16O7	332.0896	111514-42-2	knapsack	NA	NA
+FL63AANM0001	3'-Deoxydryopteric acid	C17H16O7	332.0896	156521-53-8	knapsack	NA	NA
+FLIBALNS0006	Parvisoflavanone	C17H16O7	332.0896	49776-79-6	knapsack	NA	NA
+MJ036655	1,2,3,4,5-Pentahydroxyxanthone; 2,3,4,5-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036656	1,2,3,4,7-Pentahydroxyxanthone; 1,2,3,4-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036657	1,2,3,4,7-Pentahydroxyxanthone; 1,3,4,7-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036658	1,2,3,4,7-Pentahydroxyxanthone; 2,3,4,7-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036659	1,2,3,5,7-Pentahydroxyxanthone; 2,3,5,7-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036660	1,2,3,6,7-Pentahydroxyxanthone; 1,2,3,7-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036661	1,2,3,7,8-Pentahydroxyxanthone; 1,2,3,8-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036662	1,2,4,6,8-Pentahydroxyxanthone; 1,2,4,6-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036663	1,2,5,6,8-Pentahydroxyxanthone; 1,2,5,6-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036664	1,3,5,6,7-Pentahydroxyxanthone; 1,3,5,7-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036665	1,3,5,6,7-Pentahydroxyxanthone; 3,5,6,7-Tetra-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036666	2',3',4',5,7-Pentahydroxyisoflavanone; 2',3'-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036667	2',3',4',5,7-Pentahydroxyisoflavanone; 2',4'-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036668	2',3,3',4,4',6'-Hexahydroxychalcone; 3',4-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036669	2',3,3',5,7-Pentahydroxyflavanone, 2',7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036670	2',3,5,5',7-Pentahydroxyflavanone, 5',7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036671	2',3,5,7,8-Pentahydroxyflavanone; 7,8-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036672	2',4',5,5',7-Pentahydroxy-6-methylisoflavanone, 5'-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036673	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 4-Me ether, Me ester 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036674	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 6-Me ether, Me ester 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036675	2',5,5',6,7-Pentahydroxyflavanone, 6,7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036676	2',5,5',7,8-Pentahydroxyflavanone, 7,8-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036677	3',4',5,5',7-Pentahydroxyflavanone, 3',5'-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036678	3',4',5,5',7-Pentahydroxyflavanone, 3',7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036679	3',4',5,6,7-Pentahydroxyflavanone, 3',6-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036680	3',4',5,7,8-Pentahydroxyflavanone, 3',8-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036681	3,3',4',5,7-Pentahydroxyflavan-4-acetic acid, 3'-Deoxy 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036682	3,3',4',5,7-Pentahydroxyflavanone, 3',7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036683	3,3',4',5,7-Pentahydroxyflavanone, 4',7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036684	3,4',5,6,7-Pentahydroxyflavanone, 3,6-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036685	3,4',5,6,7-Pentahydroxyflavanone; 4',6-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036686	3,4',5,7,8-Pentahydroxyflavanone, 4',8-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036687	3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 6-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036688	3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-4-chromanone; 7-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036689	5,7,8,10-Tetrahydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-6,9-dione, 5,7-Di-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036690	Alectorialin 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036691	Athrotaxin; 3-Hydroxy 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036692	Dihydromicromelin A; Ac 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036693	Erdin, Bis(dechloro), 2',3'-dihydro, Me ester 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036694	Erythrostominone; 4-Deoxy 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036695	Fomentariol 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036696	Graphislactone D 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036697	Isonorobtusatic acid 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036698	Kushecarpin C 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036699	Lecanoric acid; 4-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036700	Metasequirin B 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036701	Nanaomycin E; Me ester 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036702	Obtusatic acid; O-De-Me 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036703	Phomosine C 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036704	Rapicone 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036705	Semiviriditoxic acid; Me ester 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MJ036706	Ventiloquinone M; Mono-Me ether 	C17H16O7	332.089602	NA	MeJP	NA	NA
+MetaCyc02912	(+)-bisdechlorogeodin []	C17H16O7	332.089603	NA	metacyc	NA	NA
+MetaCyc02913	sulochrin []	C17H16O7	332.089603	519-57-3	metacyc	NA	NA
+MetaCyc02914	(-)-bisdechlorogeodin []	C17H16O7	332.089603	NA	metacyc	NA	NA
+MJ036707	4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 2-Deoxy, 1-(3-methylbutanoyl) 	C18H20O2S2	332.090471	NA	MeJP	NA	NA
+MJ036708	Sanguinarine 	C20H14NO4	332.092282	NA	MeJP	NA	NA
+C06162	Sanguinarine	C20H14NO4	332.0923	NA	KEGG	NA	NA
+C11022	Butamifos	C13H21N2O4PS	332.096	NA	KEGG	NA	NA
+C11023	O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-	C13H21N2O4PS	332.096	NA	KEGG	NA	NA
+C00896	Tos-Lys-CH2Cl	C14H21ClN2O3S	332.0961	NA	KEGG	NA	NA
+CJpos0762	9-Methylxanthine [(2M+H)]+	C12H13N8O4	332.097575	C18rt(min)=4.3 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0762	9-Methylxanthine [(2M+H)]+	C12H13N8O4	332.097575	C18rt(min)=4.3 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0532	9-Methylxanthine [(2M-H)]-	C12H11N8O4	332.098725	C18rt(min)=4.3 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0532	9-Methylxanthine [(2M-H)]-	C12H11N8O4	332.098725	C18rt(min)=4.3 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ036709	2-Hydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one; 3-Methoxy, 2-Me ether 	C21H16O4	332.104859	NA	MeJP	NA	NA
+MJ036710	8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione; 1-Me ether 	C21H16O4	332.104859	NA	MeJP	NA	NA
+MJ036711	Xiphidone 	C21H16O4	332.104859	NA	MeJP	NA	NA
+C02087	Tos-Arg-CH2Cl	C13H21ClN4O2S	332.1074	NA	KEGG	NA	NA
+MJ036712	1,2,3,5-Benzenetetrol; 1,2-Di-Me ether, 5-O-?-D-glucopyranoside 	C14H20O9	332.110732	NA	MeJP	NA	NA
+MJ036713	1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 2-O-?-D-glucopyranoside 	C14H20O9	332.110732	NA	MeJP	NA	NA
+MJ036714	1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 5-O-?-glucopyranoside 	C14H20O9	332.110732	NA	MeJP	NA	NA
+MJ036715	Catalpol; 1-O-Deglucosyl, 1-O-?-L-arabinofuranoside 	C14H20O9	332.110732	NA	MeJP	NA	NA
+MJ036716	Isounedoside 	C14H20O9	332.110732	NA	MeJP	NA	NA
+MJ036717	Unedoside 	C14H20O9	332.110732	NA	MeJP	NA	NA
+MJ036718	Ergothioneine; S-(2-Amino-2-carboxyethyl), S-oxide 	C12H20N4O5S	332.11544	NA	MeJP	NA	NA
+PJ000343	PCN 	C12H20N4O5S	332.1155	NA	PeJP	NA	NA
+MJ036719	Camptothecin, 20-Deoxy 	C20H16N2O3	332.116092	NA	MeJP	NA	NA
+MJ036720	Antibiotic Sch 56396 	C17H20N2O3S	332.119463	NA	MeJP	NA	NA
+MJ036721	Tosifen 	C17H20N2O3S	332.119463	NA	MeJP	NA	NA
+MJ036722	Mytilin A 	C13H20N2O8	332.121965	NA	MeJP	NA	NA
+FL1DBFNS0001	2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone	C18H20O6	332.12598	130893-62-8	knapsack	NA	NA
+FL1DCFNS0001	2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone	C18H20O6	332.12598	157528-83-1	knapsack	NA	NA
+FL1DG9NS0001	Dihydropedicin	C18H20O6	332.12598	169234-89-3	knapsack	NA	NA
+FL1DG9NS0003	3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone	C18H20O6	332.12598	-	knapsack	NA	NA
+FL63DDNS0001	Catechin 5,7,3'-trimethyl ether	C18H20O6	332.12598	105330-62-9	knapsack	NA	NA
+FL63DDNS0002	Epicatechin 5,7,3'-trimethyl ether	C18H20O6	332.12598	97914-19-7	knapsack	NA	NA
+FL63DENS0001	Catechin 5,7,4'-trimethyl ether	C18H20O6	332.12598	105330-59-4	knapsack	NA	NA
+FL6D1CNS0006	Fisetinidol-4beta-ol 7,3',4'-trimethyl ether	C18H20O6	332.12598	1166-05-8	knapsack	NA	NA
+FLIC1LNS0014	Lonchocarpan;7,4'-Dihydroxy-2',3',6'-trimethoxyisoflavan	C18H20O6	332.12598	23531-99-9	knapsack	NA	NA
+FLIC3LNS0002	Duartin;7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan	C18H20O6	332.12598	52305-04-1	knapsack	NA	NA
+FLIC3LNS0003	Isoduartin;(+-)-7,2'-Dihydroxy-8,3',4'-trimethoxyisoflavan	C18H20O6	332.12598	101153-40-6	knapsack	NA	NA
+MJ036723	1-(2,3,4,5,6-Pentahydroxyphenyl)-3-phenyl-1-propanone; 2',4',5'-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036724	1-(2,3,4,5,6-Pentahydroxyphenyl)-3-phenyl-1-propanone; 2',4',6'-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036725	1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3',4,4',5'-Tetra-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036726	1-(2,6-Dimethoxy-3,4-methylenedioxyphenyl)-3-phenyl-1,3-propanediol 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036727	2',3',4',5',7-Pentahydroxyisoflavan, 2',3',4'-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036728	2',3',4',5',7-Pentahydroxyisoflavan, 2',4',7-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036729	2',3',4',5',7-Pentahydroxyisoflavan, 3',4',7-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036730	2',3',4',6',7-Pentahydroxyisoflavan, 2',3',6'-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036731	2',3',4',7,8-Pentahydroxyisoflavan, 2',4',8-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036732	2',3',4',7,8-Pentahydroxyisoflavan, 3',4',8-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036733	2',3,4,4',6'-Pentahydroxydihydrochalcone; 2',3,4-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036734	2',3,4,4',6'-Pentahydroxydihydrochalcone; 3,4,4'-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036735	2,3,5,6-Tetrahydroxybenzoic acid; Tetra-Me ether, benzyl ester 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036736	2,3-Dihydro-5,6,8-trihydroxy-2,3-dimethyl-4H-naphtho[2,3-b]pyran-4-one, 10-Methoxy, 6,8-di-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036737	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol; 8-Deoxy, 3,4-di-Ac 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036738	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol, Di-Ac 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036739	2-Hydroxybenzyl alcohol; 2-Me ether, ?-O-(2,3,6-trimethoxybenzoyl) 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036740	3',4',5',7,8-Pentahydroxyflavan, 3',4',7-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036741	3,3',4',5,7-Pentahydroxyflavan, 3',5,7-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036742	3,3',4',5,7-Pentahydroxyflavan, 4',5,7-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036743	3,3',4,4',7-Pentahydroxyflavan, 3',4',7-Tri-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036744	3-Hydroxybenzyl alcohol; 3-Me ether, ?-O-(2,3,6-trimethoxybenzoyl) 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036745	4-[2-(3,4-Dihydroxyphenyl)-2-hydroxy-1-methylethoxy]-3-hydroxybenzaldehyde, 3,3'-Di-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036746	5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 8-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036747	6-Methoxyisomurralonginol; O-Ac 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036748	Aviprin, 3'-Et ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036749	Byssochlamic acid 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036750	Curvularin, 10,11-Didehydro(E-), 7-Ac 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036751	Dermochrysonol 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036752	Germitorosone; 9-Me ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036753	Glaucanic acid 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036754	Heraclenol, 3'-Et ether 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036755	Heveadride 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036756	Khellactone, 9-O-(2-Methylpropanoyl) 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036757	Machaerol A 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036758	Mollugin; 3,4-Dihydro, 3-methoxy, 4-hydroxy 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036759	Nagilactone D 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036760	Nordinone; 8,9-Didehydro, 4R,5R-epoxide 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036761	Oxirapentyne 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036762	Salignone D; 2?-Hydroxy 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036763	Syringopicrogenin A 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036764	Trypethelone; 7-Me ether, 8-methoxy, 4'-hydroxy 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036765	Ventiloquinone E 	C18H20O6	332.125988	NA	MeJP	NA	NA
+MJ036766	Zanamivir 	C12H20N4O7	332.133199	NA	MeJP	NA	NA
+C08095	Zanamivir	C12H20N4O7	332.1332	NA	KEGG	NA	NA
+C08096	Transferred to D00903	C12H20N4O7	332.1332	NA	KEGG	NA	NA
+C08097	Transferred to D00904	C12H20N4O7	332.1332	NA	KEGG	NA	NA
+C08098	Transferred to D00905	C12H20N4O7	332.1332	NA	KEGG	NA	NA
+PJ000344	GQE 	C12H20N4O7	332.1332	NA	PeJP	NA	NA
+3201	chymotrypsin inhibitor	GAW	332.137	celiac toxic	Inhouse_peptide	NA	peptide
+MJ036767	Septorine; N-Methoxy 	C17H20N2O5	332.137221	NA	MeJP	NA	NA
+MJ036768	Antibiotic PF 1131 	C16H25ClO5	332.139051	NA	MeJP	NA	NA
+MJ036769	Chlovalicin 	C16H25ClO5	332.139051	NA	MeJP	NA	NA
+C15387	1-Dehydro-9-fluoro-11-oxotestololactone	C19H21FO4	332.1424	NA	KEGG	NA	NA
+MJ036770	Ajugol; 6-Deoxy 	C15H24O8	332.147117	NA	MeJP	NA	NA
+MJ036771	Capensioside 	C15H24O8	332.147117	NA	MeJP	NA	NA
+MJ036772	Deutziol; 6-Deoxy 	C15H24O8	332.147117	NA	MeJP	NA	NA
+MJ036773	Ningpogenin; 1-O-?-D-Glucopyranoside 	C15H24O8	332.147117	NA	MeJP	NA	NA
+MJ036774	Ningpogenin; 10-O-?-D-Glucopyranoside 	C15H24O8	332.147117	NA	MeJP	NA	NA
+PJ000345	QW 	C16H20N4O4	332.1485	NA	PeJP	NA	NA
+MJ036775	Dihydrogambirtannine 	C21H20N2O2	332.152477	NA	MeJP	NA	NA
+7563	ACE inhibitor from soy hydrolysate	YLAGNQ	332.15295	MH2+	Inhouse_peptide	NA	peptide
+3804	NA	YPWSL	332.155	MH2+	Inhouse_peptide	NA	peptide
+MJ036776	Darbufelone 	C18H24N2O2S	332.155848	NA	MeJP	NA	NA
+MJ036777	Spectinomycin 	C14H24N2O7	332.158351	NA	MeJP	NA	NA
+C02078	Spectinomycin	C14H24N2O7	332.1584	NA	KEGG	NA	NA
+MJ036778	1,10-Epoxyfuranoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036779	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036780	1,12-Diacetoxy-6,9,11-eremophilatrien-8-one 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036781	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036782	1,7-Bis(3,4-dihydroxyphenyl)-3-heptanol 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036783	1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036784	1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036785	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; Penta-Me ether 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036786	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036787	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-(methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036788	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Methyl-2-propenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036789	15,16-Epoxy-6,18-dihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036790	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2,3-Epoxy-2-methylpropanoyl 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036791	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Hydroxymethyl-2-propenoyl 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036792	2,3-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-(2-Methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036793	2,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 2-(2-Methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036794	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol; 8-Deoxy, 3-O-(3-methylbutanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036795	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4-diol, 3-(3-Methylbutanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036796	3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036797	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036798	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036799	3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(2-Methyl-2-propenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036800	3-Hydroxyfuranoeremophilan-15-oic acid, 3-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036801	3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanol, 1,3',4',6'-Tetra-Me ether 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036802	4,15-Epoxyfuranoeremophil-1(10)-en-6-ol, 1?,10?-Epoxide, 6-(2-methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036803	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036804	4,6-Dihydroxy-1(10),11(13)-pseudoguaiadien-12,8-olide, 6-(Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036805	4,8-Scirpenediol, 8-Ketone, 4-O-(2Z-butenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036806	5,7-Dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2',3'-Dihydro, 3'-hydroxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036807	5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036808	6,15-Dihydroxy-1,3,11(13)-elematrien-12,8-olide, 15-Aldehyde, 6-(methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036809	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2-Methylpropenoyl 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036810	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036811	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036812	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036813	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, O-(2-methylpropanoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036814	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-O-(3-Methyl-2-butenyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036815	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylpropanoyl 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036816	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; 1(10)Z,4E,6?,8?-form, 2-Methylpropanoyl 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036817	Crotocol; O-(2Z-Butenoyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036818	Gibberellin A20 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036819	Gibberellin A4 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036820	Gibberellin A61 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036821	Gibberellin A9; 15?-Hydroxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036822	Gibberellin A9; 2?-Hydroxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036823	Gibberellin A9; 2?-Hydroxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036824	Isotrichothecin 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036825	Mammea C/OB 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036826	Marmin 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036827	Nagilactone A; 1-Deoxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036828	Nagilactone F; 2?-Hydroxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036829	Nagilactone F; 3?-Hydroxy 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036830	Nagilactone F; 7?,8?-Epoxide 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036831	Osthenol; O-(2,3-Dihydroxy-3-methylbutyl) 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036832	Paramiltioic acid 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036833	Sagittolactone 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036834	Taxifolial A 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MJ036835	Tomentellin 	C19H24O5	332.162373	NA	MeJP	NA	NA
+MetaCyc02915	GA20 [gibberellin A20;gibberellin A20;GA20;]	C19H24O5	332.162374	NA	metacyc	NA	NA
+MetaCyc02916	GA4 [gibberellin A4;gibberellin A4;GA4;]	C19H24O5	332.162374	NA	metacyc	NA	NA
+MetaCyc02917	GA40 [gibberellin A40;gibberellin A40;GA40;]	C19H24O5	332.162374	NA	metacyc	NA	NA
+MetaCyc02918	GA51 [gibberellin A51;gibberellin A51;GA51;]	C19H24O5	332.162374	NA	metacyc	NA	NA
+C02035	Gibberellin A20	C19H24O5	332.1624	NA	KEGG	NA	NA
+C09742	Trichothecin	C19H24O5	332.1624	NA	KEGG	NA	NA
+C11864	Gibberellin A4	C19H24O5	332.1624	NA	KEGG	NA	NA
+C11865	Gibberellin A51	C19H24O5	332.1624	NA	KEGG	NA	NA
+PJ000346	GKE 	C13H24N4O6	332.1696	NA	PeJP	NA	NA
+3386	ACE inhibitor	KW	332.173	celiac toxic	Inhouse_peptide	NA	peptide
+MJ036836	Ancarolol 	C18H24N2O4	332.173607	NA	MeJP	NA	NA
+MJ036837	Pseudophrynaminol, ar-Hydroxy, ar-methoxy, 4'-carboxylic acid, Me ester 	C18H24N2O4	332.173607	NA	MeJP	NA	NA
+MJ036838	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol 	C23H24O2	332.17763	NA	MeJP	NA	NA
+MJ036839	Endiandric acid B 	C23H24O2	332.17763	NA	MeJP	NA	NA
+MJ036840	Endiandric acid C 	C23H24O2	332.17763	NA	MeJP	NA	NA
+MJ036841	Endiandric acid D 	C23H24O2	332.17763	NA	MeJP	NA	NA
+C14885	9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione	C20H25FO3	332.1788	NA	KEGG	NA	NA
+C15147	9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione	C20H25FO3	332.1788	NA	KEGG	NA	NA
+PJ000347	GTR 	C12H24N6O5	332.1808	NA	PeJP	NA	NA
+C04655	(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate	C16H28O7	332.1835	NA	KEGG	NA	NA
+C04656	1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R	C14H24NO11R	332.1835	NA	KEGG	NA	NA
+C04657	1,4-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R	C14H24NO11R	332.1835	NA	KEGG	NA	NA
+MJ036842	1,8-Epoxy-p-menthan-2-ol, O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036843	1,8-Epoxy-p-menthan-3-ol, O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036844	1,8-Epoxy-p-menthan-4-ol; O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036845	2,4-Thujanediol, 4-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036846	2,5-Bornanediol, 2-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036847	2,5-Fenchanediol, 2-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036848	2,6-Dimethyl-1,7-octadiene-3,6-diol; 3-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036849	2,6-Dimethyl-2,6-octadiene-1,8-diol, 8-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036850	2,6-Dimethyl-2,7-octadiene-1,6-diol, 1-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036851	2,6-Dimethyl-2,7-octadiene-1,6-diol, 6-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036852	2,6-Dimethyl-2,7-octadiene-1,6-diol, 1-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036853	2,6-Dimethyl-3,7-octadiene-2,6-diol; 2-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036854	2,6-Fenchanediol, 2-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036855	2,7-Dimethyl-2,4-octadiene-1,8-diol, 8-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036856	2-Hydroxy-1,2,3-tridecanetricarboxylic acid 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036857	3,7-Dimethyl-2,6-octadiene-1,4-diol; 8-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036858	6-Methyl-2-vinyl-5-heptene-1,2-diol; 1-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036859	7-Methyl-3-methylene-6-octene-1,2-diol, 2-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036860	9,10-Pinanediol; 10-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036861	D-glycero-D-galacto-Heptitol; 1,2:4,5:6,7-Tri-O-isopropylidene 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036862	p-Menth-1-ene-3,6-diol, 6-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MJ036863	p-Menth-1-ene-7,8-diol, 8-O-?-D-Glucopyranoside 	C16H28O7	332.183503	NA	MeJP	NA	NA
+MetaCyc02919	(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate []	C16H28O7	332.183503	NA	metacyc	NA	NA
+MJ036864	Doreptide 	C17H24N4O3	332.18484	NA	MeJP	NA	NA
+PJ000348	KW 	C17H24N4O3	332.1849	NA	PeJP	NA	NA
+MJ036865	Difforine 	C22H24N2O	332.188863	NA	MeJP	NA	NA
+MJ036866	Lavanducyanin 	C22H24N2O	332.188863	NA	MeJP	NA	NA
+MJ036867	Tropirine 	C22H24N2O	332.188863	NA	MeJP	NA	NA
+MJ036868	1(10)-Epoxy-3-hydroxy-4,11-germacradien-9-one, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036869	1,10-Epoxyfuranoeremophilan-6-ol, O-(2-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036870	1,2-Epoxy-13-oxo-6,10,14-phytatrien-20,1-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036871	1,6,7-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036872	1-Hydroxy-15-oxo-16-kauren-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036873	1-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 1-(3-methyl-2-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036874	1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 1-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036875	1-Hydroxy-4,11(13)-eudesmadien-12,8-olide, O-(2-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036876	1-Hydroxy-7(11)-eremophilen-12,8-olide, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036877	1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-propanone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036878	10,11-Dihydroxy-7-oxo-15-rosen-19-oic acid, 19 ? 10 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036879	11,12,15-Trihydroxy-8,11,13-abietatrien-20-al 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036880	11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid; 20-Aldehyde 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036881	11,12,16-Trihydroxy-8,11,13-abietatrien-7-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036882	11,12-Epoxy-8-hydroxy-3,6,15(17)-cembratrien-16,2-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036883	11,14-Dioxo-12-mulinen-20-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036884	11,14-Epoxy-7-hydroxy-4,8(17)-briaradien-18,7-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036885	11,15-Dihydroxy-16-kauren-19-oic acid, 11-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036886	11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036887	11,15-Dihydroxy-2,12-cyathadiene-1,14-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036888	11,15-Dihydroxy-3,12-cyathadiene-2,14-dione; 11?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036889	11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid, 1,15-Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036890	11-Hydroxy-1(10),4-germacradien-12,6-olide, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036891	11-Hydroxy-16-oxo-5,8,12,14,17-eicosapentaenoic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036892	11-Hydroxy-6-oxo-3,12(18)-dolabelladien-19,10-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036893	12,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036894	12,15-Dihydroxy-8,11,13-abietatrien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036895	12,16-Dihydroxy-8,12-abietadiene-11,14-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036896	12,17-Epoxy-3-hydroxy-8,13-labdadien-16,15-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036897	12,19-Dihydroxy-8,12-abietadiene-11,14-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036898	12-Hydroxy-8,12-abietadiene-11,14-dione; 2?-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036899	12-Hydroxy-9(11),16-kauradien-19-oic acid, 16?,17-Epoxide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036900	13,14-Dehydro-14,15-dihydro-15-peroxyfurosolidagonone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036901	13,14-Dihydroxy-3-oxo-15-atisen-17-al 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036902	13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036903	13-Hydroxy-14-oxo-3,4-seco-16-atisen-3,4-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036904	13-Hydroxy-7-oxo-8(14)-abieten-19,6-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036905	15,16-Dihydroxy-1(19),6,10,13-xenicatetraen-18,17-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036906	15,16-Epoxy,3,4-dihydroxy-13(16),14-clerodadien-12-one, 3-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036907	15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036908	15,16-Epoxy-13(16),14-labdadiene-6,9,19-triol, 19-Carboxylic acid, 19?6 lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036909	15,16-Epoxy-17-hydroxy-7,13(16),14-labdatrien-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036910	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036911	15,16-Epoxy-3,12-dihydroxy-8(17),13(16),14-labdatrien-2-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036912	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036913	15,16-Epoxy-3,6-dihydroxy-8(17),13(16),14-labdatrien-12-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036914	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036915	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036916	15,16-Epoxy-7-hydroxy-3,13(16),14-clerodatrien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036917	15,16-Epoxy-7-hydroxy-8(17),13(16),14-labdatrien-19-oic acid; 7?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036918	15,16-Epoxy-9,19-dihydroxy-7,13(16),14-labdatrien-6-one; 9?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036919	15,16:18,19-Diepoxy-3,13(16),14-labdatriene-6,19-diol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036920	15,17-Epoxy-7-hydroxy-13(15),14(17)-cassadien-12-one, 16-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036921	15-(2-Furoyloxy)-2,10-bisaboladien-7-ol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036922	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylbutanoyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036923	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Methylbutanoyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036924	15-Hydroxy-12-oxo-7,13-abietadien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036925	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036926	15-Hydroxy-9-oxo-5,10,13,17-prostatetraenoic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036927	15-Kaurene-17,18-diol; ent-form, 17,18-Dicarboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036928	15-Kaurene-17,19-diol; ent-form, 17,19-Dicarboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036929	16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Deoxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036930	16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Ketone (lactone), 15-deoxo 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036931	16-Hydroxy-17-oxo-7,13-labdadien-15,16-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036932	16-Hydroxy-2-oxo-3,13-clerodadien-15,16-olide; ent-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036933	16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid, 16-Aldehyde 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036934	16-Kaurene-3,6,11,15-tetrol, 3,15-Diketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036935	18,19-Epoxy-19-hydroxy-3,13-clerodadien-15,16-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036936	18-Hydroxy-3,13-clerodadien-16,15-olide, 18-Carboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036937	18-Hydroxy-8(17),13-labdadien-15,16-olide; ent-form, 18-Carboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036938	19-Hydroxy-8(17),13-labdadien-15,16-olide; ent-form, 19-Carboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036939	2,14-Dihydroxy-8,11,13-abietatrien-18-oic acid; 2?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036940	2,16-Dihydroxy-1,4(18)-erythroxyladiene-3,15-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036941	2,16-Dihydroxy-1,8(14)-pimaradiene-3,15-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036942	2,17-Dihydroxy-13(16),14-spongiadien-3-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036943	2,19-Dihydroxy-13(16),14-spongiadien-3-one; 2?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036944	2,19-Epoxy-18-hydroxy-3,13-clerodadien-15,16-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036945	2,19-Epoxy-18-hydroxy-3,13-clerodadien-16,15-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036946	2,6,11-Trihydroxy-7,9(11),13-abietatrien-12-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036947	2,6-Dihydroxy-1,4(18),15-erythroxylatrien-3-one, 4?,18-Epoxide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036948	2,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one; 2?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036949	2,7,14-Trihydroxy-16-kauren-15-one, 2-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036950	2-Epoxyfloridicin 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036951	2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, O-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036952	2-Hydroxy-7(11)-eremophilen-12,8-olide, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036953	2-Hydroxy-7(11)-eremophilen-12,8-olide, Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036954	20-Hydroxy-13-oxo-2,6,10,14-phytatetraen-1,20-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036955	3,10-Dihydroxy-5,11-dielmenthadiene-4,9-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036956	3,11,12-Trihydroxy-8,11,13-abietatrien-7-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036957	3,11-Dihydroxy-6,9-eremophiladien-8-one; 3?-form, 3-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036958	3,13-Clerodadien-15,12-olid-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036959	3,13-Clerodadien-15,16-olid-17-oic acid; ent-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036960	3,13-Clerodadien-15,16-olid-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036961	3,13-Clerodadien-15,16-olid-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036962	3,13-Clerodadien-16,15-olid-17-oic acid; ent-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036963	3,13-Clerodadien-16,15-olid-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036964	3,13-Dihydroxy-16-atisen-14-one, 3-Ketone, 15?-hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036965	3,13-Dihydroxy-16-atisen-14-one, 3-Ketone, 18-hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036966	3,14-Dihydroxy-1(6),3,15-bifloratriene-2,5-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036967	3,16-Dihydroxy-1(6),3,14-bifloratriene-2,5-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036968	3,16-Dihydroxy-7-isopimarene-2,15-dione, 3-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036969	3,17-Dihydroxy-13(16),14-spongiadien-2-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036970	3,19-Dihydroxy-13(16),14-spongiadien-2-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036971	3,19-Dihydroxy-8(17),11,13-labdatrien-16,15-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036972	3,19-Dihydroxy-8,12-abietadiene-11,14-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036973	3,19-Epoxy-14-hydroxy-8(17),12-labdadien-16,15-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036974	3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide, 13-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036975	3,4-Epoxy-13-oxo-7,15(17)-cembradien-15,14-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036976	3,4-Epoxy-14-hydroxy-7,11,15(17)-cembratrien-16,2-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036977	3,4-Epoxy-8-hydroxy-6,11,15(17)-cembratrien-16,14-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036978	3,4-Epoxy-8-hydroxy-7(14),10-bisaboladien-2-one; O-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036979	3,4:15,16-Diepoxy-13(16),14-clerodadien-20-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036980	3,5,6-Trihydroxy-13(17),15-cleistanthadien-19-oic acid, 19?6 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036981	3,5-Dihydroxy-12,15-cassadien-19,6-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036982	3,6,7-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036983	3,7,14-Trihydroxy-16-kauren-15-one, 3-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036984	3,9-Dihydroxy-1(10),11-spirovetivadien-2-one, 9-(3-Methyl-2-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036985	3,9-Dihydroxy-1(10),11-spirovetivadien-2-one, 9-Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036986	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)(E-), 3'-Me ether 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036987	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-), 3'-Me ether 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036988	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 3-(3-methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036989	3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036990	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, O-(2,3-Epoxy-2-methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036991	3-Hydroxy-7-oxo-13(15)-abieten-16,12-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036992	3-Hydroxy-7-oxo-13(15)-cassen-16-oic acid, 8,9-Didehydro 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036993	3-Hydroxyfukinanolide; 3?-form, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036994	3-Hydroxyfukinanolide; 3?-form, Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036995	3-Hydroxyfuranoeremophilan-9-one, 3-Methylbutanoyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036996	4(3?2)-Abeo-16-hydroxy-3-oxo-2(14),13-clerodadien-15,16-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036997	4,12;14,15-Diepoxy-5(15)-isocedren-14-ol, 2-Methylbutanoyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036998	4,5-Epoxy-13-hydroxy-4,5-seco-16-atisene-3,14-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ036999	4-Deoxycohumulone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037000	4-Hydroxy-19-oxo-1(9),6,13-xenicatrien-18,17-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037001	5,10-Epoxy-7,11-dihydroxy-7,15-rosadien-6-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037002	5,11-Dihydroxy-1-silphinen-3-one; 5-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037003	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 6,7,14,15-Tetradehydro 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037004	5,13-Halimadien-16,15-olid-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037005	5,6-Epoxy-7,13-dihydroxy-2-methylene-12-(2-methyl-1-propenyl)-6-methylbicyclo[7.4.0]tridec-10-ene-10-carboxaldehyde 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037006	5-Hydroxy-2-himachalen-12,7-olide, Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037007	5-Hydroxy-2-undecyl-4H-1-benzopyran-4-one; 7-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037008	6,10-Dihydroxy-7-oxo-15-rosen-19-oic acid, 19 ? 10 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037009	6,11,12-Trihydroxy-8,11,13-abietatrien-7-one; 6?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037010	6,11-Epoxy-6,12-dihydroxy-6,7-seco-8,11,13-abietatrien-7-al; 6?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037011	6,13-Dihydroxy-7-oxo-5,8(14)-abietadien-19-al; 13?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037012	6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037013	6,16-Dihydroxy-8(17),11,13-labdatrien-15,16-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037014	6,7,11-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037015	6,7,12-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037016	6,7,18-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037017	6,7-Dihydroxy-8,13-abietadiene-11,12-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037018	6,7-Epoxy-1(19),10,12-xenicatrien-18,17-olide, 14-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037019	6,7-Epoxy-17-hydroxy-1(19),11,13-xenicatrien-18,10-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037020	6,7-Seco-5(10),15-rosadien-6,11-olid-7-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037021	6-Hydroxy-7-oxo-3,13-clerodadien-15,16-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037022	6-Hydroxyfuranoeremophilan-9-one, 3-Methylbutanoyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037023	6-Oxo-7,13-labdadien-15,16-olide; ent-form, 16?-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037024	7,10-Epoxy-5,8,11,13-icetexatetraene-11,12-diol, 5,6-Dihydro, 6?-hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037025	7,12-Dihydroxy-8,12-abietadiene-11,14-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037026	7,13-Labdadien-15,16-olid-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037027	7,13-Labdadien-15,16-olid-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037028	7,13-Labdadien-16,15-olid-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037029	7,14,15-Trihydroxy-1,16-kauradien-3-one 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037030	7,15-Dihydroxy-16-atisen-19,20-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037031	7,15-Dihydroxy-8,11,13-abietatrien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037032	7,20-Epoxy-8,11,13-abietatriene-11,12,16-triol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037033	7,20:18,20-Diepoxy-16-atisene-15,18-diol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037034	7,8-Epoxy-14-hydroxy-3,11,15(17)-cembratrien-16,2-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037035	7,9-Dihydroxy-8(14),13(15)-abietadien-16,12-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037036	7,9-Dihydroxy-8(14),15-isopimaradiene-3,11-dione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037037	8(17),13-Labdadien-16,15-olid-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037038	8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037039	8,10-Dihydroxy-3-longipinen-5-one, 10-O-(3-Methyl-2-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037040	8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037041	8,11,13-Abietatrien-18-oic acid; 15-Hydroperoxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037042	8,11,13-Abietatriene-11,12,20-triol; 20-Carboxylic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037043	8,12-Epidioxy-9(11),13-labdadien-15,12-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037044	8,12-Epoxy-1(10),7(11),8-eremophilatriene-6,12-diol, 6-(2-Methylpropanoyl), 12-Me ether 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037045	8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-17,18-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037046	8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide; 8?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037047	8,14-Epoxy-11-hydroxy-13(15)-abieten-16,12-olide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037048	8,15-Seco-16-kauren-15,8-olid-20-oic acid; ent-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037049	8,16-Dihydroxy-19-serrulatanoic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037050	8,20-Dihydroxy-14-serrulaten-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037051	8-(2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene)-6-methyl-3,5,7-octatrien-2-one; 3'-Ac (Carotenid numbering) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037052	8-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037053	8-Hydroxy-4-daucene-3,9-dione, 8-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037054	8-Hydroxy-7-oxo-9(11),15-abietadien-18-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037055	9,13-Epidioxy-8(14)-abieten-18-oic acid, 4-Epimer, 15,16-didehydro 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037056	9,15-Dihydroxy-16-atisen-19-oic acid, 15-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037057	9,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037058	9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 1-Ac 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037059	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(2-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037060	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(3-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037061	9-Hydroxy-16-oxo-8(14),13(15)-abietadien-19-oic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037062	9-Hydroxy-6-oxo-7,13-labdadien-15,16-olide; 9?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037063	9-Hydroxy-7-oxo-8(14),15-isopimaradien-20-oic acid; 9?-form 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037064	Adhulupone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037065	Cadlinolide B; 16-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037066	Callicarpone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037067	Cannabichromanone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037068	Cannabigerovarinic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037069	Crinipellin A; 9-Ketone, 4?,8?-dialcohol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037070	Cupresol; 12-Me ether 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037071	Curculathyrane A 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037072	Curculathyrane B 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037073	Dichroanal A 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037074	Dimeroperatic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037075	Elisabethin A; 2?-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037076	Foetidin 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037077	Fukinanolide; 2?-Hydroxy, 2-angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037078	Fukinanolide; 3?-Hydroxy, 3-tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037079	Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037080	Furanoeremophil-1(10)-ene-4,6-diol, 6-(2-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037081	Furanoeremophil-1(10)-ene-4,6-diol, 6-(3-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037082	Furanoeremophil-1(10)-ene-6,9-diol, 6-(3-Methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037083	Furanoeremophilan-3-ol, O-(2-Hydroxymethyl-2Z-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037084	Furanoeremophilane-1,10-diol, 1-Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037085	Furanoeremophilane-1,3-diol, 3-(3-Methyl-2-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037086	Furanoeremophilane-1,3-diol, 3-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037087	Furanoeremophilane-1,6-diol, 1-Ketone, 6-(2-methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037088	Furanoeremophilane-1,6-diol, 1-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037089	Furanoeremophilane-1,6-diol, 1-Ketone, 6-(2-methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037090	Furanoeremophilane-1,6-diol, 1-Ketone, 6-(3-methylbutanoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037091	Furanoeremophilane-2,10-diol, 10-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037092	Furanoeremophilane-2,9-diol, 2-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037093	Furanoeremophilane-3,6-diol, 3-O-(3-Methyl-2-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037094	Furanoeremophilane-3,6-diol, 3-O-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037095	Furanoeremophilane-3,6-diol, 3-O-Tigloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037096	Furanoeremophilane-3,6-diol, 6-O-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037097	Furanoeremophilane-3,9-diol, 3-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037098	Furanoeremophilane-6,10-diol, 6-(3-Methyl-2-butenoyl) 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037099	Furanoeremophilane-6,10-diol, 6-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037100	Furanoeudesmane-3,4-diol, 3-Angeloyl 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037101	Galeolone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037102	Galeopsitrione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037103	Gibberellin A12 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037104	Gibelactol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037105	Hebemacrophyllide; 19-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037106	Helioscopinolide A; 9-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037107	Hulupone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037108	Hyalic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037109	Hypoleucic acid 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037110	Illustrol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037111	Ingenol; 20-Deoxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037112	Ingenol; 5-Deoxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037113	Isojatrogrossidione; 2-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037114	Jatrogrossidentadione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037115	Jatrogrossidione 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037116	Kalkipyrone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037117	Lobophytol 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037118	Lobophytum lactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037119	Nivenolide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037120	Pallavicinia 2 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037121	Pentandralactone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037122	Pentandranoic acid A 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037123	Premarrubiin 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037124	Printzianic acid; 5?-Hydroxy, 10?-hydro 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037125	Prostaglandin C3 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037126	Shikoccin; 11?-Hydroxy, 3-deacetoxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037127	Shikoccin; 1?-Hydroxy, 3-deacetoxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037128	Shikoccin; 3-Deacetoxy, 8?,14?-epoxide 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037129	Shikoccin; 3-Epimer, 3-de-Ac 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037130	Vallartanone B 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037131	Wedeliasecokaurenolide; 15?-Hydroxy 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MJ037132	Xenialactol D; 1-Ketone 	C20H28O4	332.198759	NA	MeJP	NA	NA
+MetaCyc02920	iso-cohumulone []	C20H28O4	332.198759	NA	metacyc	NA	NA
+MetaCyc02921	diprenylphlorisobutyrophenone [deoxycohumulone;]	C20H28O4	332.198759	NA	metacyc	NA	NA
+MetaCyc02922	GA12 [gibberellin A12;gibberellin A12;GA12;]	C20H28O4	332.198759	NA	metacyc	NA	NA
+MetaCyc02923	GA14-aldehyde [gibberellin A14-aldehyde;gibberellin A14-aldehyde;GA14-aldehyde;]	C20H28O4	332.198759	NA	metacyc	NA	NA
+MetaCyc02924	C20 skeleton [C20-GA skeleton;C20-gibberellin skeleton;open lactone gibberrellin skeleton;C20-GAs;C20-GAs;]	C20H28O4	332.198759	NA	metacyc	NA	NA
+HMDB04031	11beta-Hydroxyprogesterone	C20H28O4	332.19876	http://www.hmdb.ca/metabolites/HMDB04031	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02358	Carnosic acid	C20H28O4	332.19876	http://www.hmdb.ca/metabolites/HMDB02358	HMDB	NA	NA
+HMDB04031	11beta-Hydroxyprogesterone	C20H28O4	332.19876	http://www.hmdb.ca/metabolites/HMDB04031	HMDB	NA	NA
+HMDB04031	11beta-Hydroxyprogesterone	C20H28O4	332.19876	http://www.hmdb.ca/metabolites/HMDB04031	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02358	Carnosic acid	C20H28O4	332.19876	HMDB02358	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04031	11beta-Hydroxyprogesterone	C20H28O4	332.19876	HMDB04031	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02358	Carnosic acid	C20H28O4	332.198761	NA	HMDB2010	NA	NA
+HMDB04031	11b-Hydroxyprogesterone	C20H28O4	332.198761	NA	HMDB2010	NA	NA
+C09067	Callicarpone	C20H28O4	332.1988	NA	KEGG	NA	NA
+C09081	7beta,12alpha-Dihydroxykaurenolide	C20H28O4	332.1988	NA	KEGG	NA	NA
+C09128	Marrubiin	C20H28O4	332.1988	NA	KEGG	NA	NA
+C09177	Premarrubiin	C20H28O4	332.1988	NA	KEGG	NA	NA
+C11853	Gibberellin A14 aldehyde	C20H28O4	332.1988	NA	KEGG	NA	NA
+C11857	Gibberellin A12	C20H28O4	332.1988	NA	KEGG	NA	NA
+C11905	Gibberellin A53 aldehyde	C20H28O4	332.1988	NA	KEGG	NA	NA
+C15068	17beta-Hydroxy-4-oxa-5alpha-androst-1-en-3-one acetate	C20H28O4	332.1988	NA	KEGG	NA	NA
+C15459	13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5alpha-androstan-	C20H28O4	332.1988	NA	KEGG	NA	NA
+C18175	5,6-Epoxy-18R-HEPE	C20H28O4	332.1988	NA	KEGG	NA	NA
+MJ037133	Chimonanthine; meso-form, N-De-Me 	C21H24N4	332.200096	NA	MeJP	NA	NA
+MJ037134	Fortimicin AP; 4',5'-Didehydro 	C14H28N4O5	332.20597	NA	MeJP	NA	NA
+MJ037135	Fortimicin KF 	C14H28N4O5	332.20597	NA	MeJP	NA	NA
+MJ037136	Fortimicin KQ 	C14H28N4O5	332.20597	NA	MeJP	NA	NA
+PJ000349	SVK 	C14H28N4O5	332.206	NA	PeJP	NA	NA
+MJ037137	Benzastatin F; 16-Methoxy 	C19H28N2O3	332.209992	NA	MeJP	NA	NA
+MJ037138	Irolapride 	C19H28N2O3	332.209992	NA	MeJP	NA	NA
+C14488	21-Fluoroprogesterone	C21H29FO2	332.2152	NA	KEGG	NA	NA
+C15127	6alpha-Fluoropregn-4-ene-3,20-dione	C21H29FO2	332.2152	NA	KEGG	NA	NA
+C07052	Ipratropium	C20H30NO3	332.2226	NA	KEGG	NA	NA
+MJ037139	Indopine 	C23H28N2	332.225248	NA	MeJP	NA	NA
+C04518	17alpha,20alpha-Dihydroxypregn-4-en-3-one	C21H32O3	332.2351	NA	KEGG	NA	NA
+C05138	17alpha-Hydroxypregnenolone	C21H32O3	332.2351	NA	KEGG	NA	NA
+C05485	21-Hydroxypregnenolone	C21H32O3	332.2351	NA	KEGG	NA	NA
+C06390	16-alpha-Hydroxypregnenolone	C21H32O3	332.2351	NA	KEGG	NA	NA
+C07393	Oxymetholone	C21H32O3	332.2351	NA	KEGG	NA	NA
+C13803	Alphaxolone	C21H32O3	332.2351	NA	KEGG	NA	NA
+C15011	11beta,17beta-Dihydroxy-6alpha,17-dimethylandrost-4-en-3-one	C21H32O3	332.2351	NA	KEGG	NA	NA
+C15022	11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one	C21H32O3	332.2351	NA	KEGG	NA	NA
+C15355	11alpha-Hydroxy-5beta-pregnane-3,20-dione	C21H32O3	332.2351	NA	KEGG	NA	NA
+C15384	12alpha-Hydroxy-5beta-pregnane-3,20-dione	C21H32O3	332.2351	NA	KEGG	NA	NA
+C15401	11beta,17beta-Dihydroxy-4,17-dimethylandrost-4-en-3-one	C21H32O3	332.2351	NA	KEGG	NA	NA
+C15405	17beta-Carbomethoxyandrost-5-en-3beta-ol	C21H32O3	332.2351	NA	KEGG	NA	NA
+C18038	7alpha-Hydroxypregnenolone	C21H32O3	332.2351	NA	KEGG	NA	NA
+C18040	5alpha-Dihydrodeoxycorticosterone	C21H32O3	332.2351	NA	KEGG	NA	NA
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.235138	NA	HMDB2010	NA	NA
+HMDB00363	17a-Hydroxypregnenolone	C21H32O3	332.235138	NA	HMDB2010	NA	NA
+HMDB03851	3a,7a-Dihydroxy-5b-cholestanate	C21H32O3	332.235138	NA	HMDB2010	NA	NA
+HMDB04026	21-Hydroxypregnenolone	C21H32O3	332.235138	NA	HMDB2010	NA	NA
+HMDB11653	17-alpha,20-alpha-Dihydroxypregn-4-en-3-one	C21H32O3	332.235138	NA	HMDB2010	NA	NA
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00315	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04026	21-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB04026	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00315	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00363	17a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00363	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00315	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04026	21-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB04026	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00315	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04026	21-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB04026	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00315	HMDB	NA	NA
+HMDB00363	17a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00363	HMDB	NA	NA
+HMDB03851	3alpha,7alpha-Dihydroxy-5beta-cholestanate	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB03851	HMDB	NA	NA
+HMDB04026	21-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB04026	HMDB	NA	NA
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00315	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00363	17a-Hydroxypregnenolone	C21H32O3	332.23514	http://www.hmdb.ca/metabolites/HMDB00363	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00315	16-a-Hydroxypregnenolone	C21H32O3	332.23514	HMDB00315	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00363	17a-Hydroxypregnenolone	C21H32O3	332.23514	HMDB00363	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03851	3alpha,7alpha-Dihydroxy-5beta-cholestanate	C21H32O3	332.23514	HMDB03851	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04026	21-Hydroxypregnenolone	C21H32O3	332.23514	HMDB04026	PFEM_hmdb_metabocards_official	NA	NA
+MJ037140	1,3,5,10-Farnesatetraene-7,9-diol, 7-Me ether, 9-Angeloyl 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037141	1,3,5,10-Farnesatetraene-7,9-diol, 7-Me ether, 9-angeloyl 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037142	1,6,9,12,15,18-Heneicosahexaene, 6,7:12,13:15,16-Triepoxide 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037143	12-Hydroxy-5,8,10,14,17-eicosapentaenoic acid, Me ester 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037144	13-Ethyl-4,17-dihydroxy-18,19-dinorpregn-4-en-3-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037145	14,15-Epoxy-8(17),12-labdadien-16-oic acid, Me ester 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037146	14-(3-Furanyl)-3,7,11-trimethyl-7,11-tetradecadienoic acid 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037147	15,20-Dihydroxypregn-4-en-3-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037148	15-Hydroxypregnane-3,20-dione 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037149	16-Hydroxy-11-kauren-19-oic acid, Me ester 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037150	16-Hydroxy-3,13-clerodadien-15,16-olide, Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037151	16-Hydroxypregnane-3,20-dione 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037152	17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 14-Deoxy, 17-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037153	17,18:18,19-Diepoxy-1(9),6,13-xenicatrien-19-ol; Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037154	17,19-Kauranediol, 17-Carboxylic acid, 19-aldehyde, Me ester 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037155	17,20-Dihydroxypregn-4-en-3-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037156	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16-Lactone, 2-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037157	2,3-Dihydroxypregn-17(20)-en-16-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037158	3,16-Dihydroxypregn-5-en-20-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037159	3,21-Dihydroxypregn-4-en-20-one; 3?-form 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037160	3,21-Dihydroxypregn-5-en-20-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037161	3,4-Dihydroxypregn-17(20)-en-16-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037162	3,4;15,16-Diepoxy-13(16),14-clerodadien-2-ol, Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037163	3,5-Dihydroxypregn-20-en-6-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037164	3,6-Dihydroxypregn-9(11)-en-20-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037165	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8',10',11'-Tetradehydro(Z,Z-) 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037166	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 15',15',16',16'-Tetradehydro 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037167	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8',10',11'-Tetradehydro(Z,Z-) 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037168	3-Hydroxy-20-oxopregnan-21-al 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037169	3-Hydroxypregnane-11,20-dione 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037170	3-Hydroxypregnane-2,16-dione 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037171	4,18-Epoxy-4,5-seco-8,11,13-icetexatriene-12,19-diol; 12-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037172	4-Hydroxy-6-pentadecyl-2H-pyran-2-one; 9',10',11',12'-Tetradehydro, Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037173	8,11,13-Abietatriene-3,14,19-triol, 14-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037174	8,11,13-Abietatriene-7,11,12-triol, 12-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037175	8,11,13-Abietatriene-7,11,12-triol; 7?-form, 12-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037176	8,11,13-Icetexatriene-10,12-diol; 10?-form, 11-Hydroxy, 12-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037177	8,11,13-Icetexatriene-10,12-diol; 10?-form, 11-Methoxy 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037178	8,11,13-Sphaeroatriene-2,13,18-triol, 13-Me ether 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037179	9-Hydroxy-16-kauren-19-oic acid; ent-form, Me ester 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037180	Anhydroholantogenin 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037181	Dendrinolide 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037182	Diemenensin A 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037183	Fulvanin 2 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037184	Gracilin A; 16-Deacetoxy 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037185	Incisterol 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037186	Oxymetholone 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037187	Yahazunol 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037188	17alpha,20alpha-Dihydroxypregn-4-en-3-one 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037189	17alpha-Hydroxypregnenolone 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MJ037190	21-Hydroxypregnenolone 	C21H32O3	332.235144	NA	MeJP	NA	NA
+MetaCyc02925	17-&alpha;,20-&alpha;-dihydroxypregn-4-en-3-one []	C21H32O3	332.235145	652-69-7	metacyc	NA	NA
+MJ037191	Antibiotic KA 6606IX; 1-Epimer, 1-Me 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037192	Antibiotic KA 6606IX; 1-Me 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037193	Antibiotic KA 6606IX; 6-Epimer, 1-Me 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037194	Istamycin A; 1-Epimer, N-de(aminoacetyl) 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037195	Istamycin A; N-De(aminoacetyl) 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037196	Sannamycin C 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037197	Sporaricin B 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+MJ037198	Sporaricin E 	C15H32N4O4	332.242355	NA	MeJP	NA	NA
+C17711	Sannamycin B	C15H32N4O4	332.2424	NA	KEGG	NA	NA
+C17990	Istamycin B0	C15H32N4O4	332.2424	NA	KEGG	NA	NA
+MJ037199	Joubertiamine, 2,3-Dihydro, N,N-(dimethylamino)ethyl ether 	C20H32N2O2	332.246378	NA	MeJP	NA	NA
+MJ037200	Sollasin B 	C20H32N2O2	332.246378	NA	MeJP	NA	NA
+MJ037201	9,10,13-Trihydroxyoctadecanoic acid 	C18H36O5	332.256274	NA	MeJP	NA	NA
+MJ037202	9,10,18-Trihydroxyoctadecanoic acid 	C18H36O5	332.256274	NA	MeJP	NA	NA
+MetaCyc02926	9,10,18-trihydroxystearate []	C18H36O5	332.256274	NA	metacyc	NA	NA
+MJ037203	Protoverbine 	C19H32N4O	332.257611	NA	MeJP	NA	NA
+C15373	5alpha-Androstan-17beta-ol propionate	C22H36O2	332.2715	NA	KEGG	NA	NA
+C16527	7,10,13,16-Docosatetraenoic acid	C22H36O2	332.2715	NA	KEGG	NA	NA
+HMDB02226	Adrenic acid	C22H36O2	332.27151	http://www.hmdb.ca/metabolites/HMDB02226	HMDB	NA	NA
+HMDB02226	Adrenic acid	C22H36O2	332.27151	HMDB02226	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02226	Adrenic acid	C22H36O2	332.271515	NA	HMDB2010	NA	NA
+MJ037204	1,3,7-Cembratrien-11-ol, Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037205	1-(4-Hydroxyphenyl)-5-hexadecanone 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037206	1-Phenyl-1,3-hexadecanedione; 1-Alcohol 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037207	1-Phenyl-1,3-hexadecanedione; 3-Alcohol 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037208	2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol, 11,12,14,15-Tetrahydro 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037209	2-Methyl-5-(8-tridecenyl)-1,3-benzenediol, Di-Me ether 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037210	3,7,11-Cembratrien-15-ol, Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037211	3,7-Dolabelladien-18-ol, ?2Isomer, Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037212	5-Pentadecyl-1,3-benzenediol; 10',11'Z-Didehydro, mono-Me ether 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037213	7,10,13,16-Docosatetraenoic acid 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037214	7,13-Labdadien-15-ol, Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037215	8,13-Labdadien-15-ol, Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037216	Dilophol; Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037217	Ganaxolone 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037218	Magydartrienol; Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037219	Trixagol; Ac 	C22H36O2	332.27153	NA	MeJP	NA	NA
+MJ037220	3,20-Diaminopregn-5-en-15-ol 	C21H36N2O	332.282763	NA	MeJP	NA	NA
+MJ037221	3,20-Diaminopregn-5-en-18-ol 	C21H36N2O	332.282763	NA	MeJP	NA	NA
+MJ037222	Cribrochalinamine oxide A 	C21H36N2O	332.282763	NA	MeJP	NA	NA
+MJ037223	Xestamine B 	C21H36N2O	332.282763	NA	MeJP	NA	NA
+MJ037224	21-Methyl-4,15-docosadien-1-yn-3-ol 	C23H40O	332.307915	NA	MeJP	NA	NA
+MJ037225	3-Heptadecylphenol 	C23H40O	332.307915	NA	MeJP	NA	NA
+MJ037226	1,7,13-Tetracosatriene 	C24H44	332.344301	NA	MeJP	NA	NA
+MJ037227	3,6,9-Tetracosatriene 	C24H44	332.344301	NA	MeJP	NA	NA
+2656	synthetic fr, of human beta-CN (161-166) ACE inhibitor	VLPIPQ	332.699	MH2+	Inhouse_peptide	NA	peptide
+MJ037228	Oxo[N,N'-1,3-propanediylbis[2-mercaptoacetamidato](4-)-N,N',S,S']technetate(1-) 	C7H10N2O3S2Tc(-)	332.928324	NA	MeJP	NA	NA
+MJ037229	[1,9-Dimercapto-2,6-dioxo-3,7-diazanonanato]oxotechnetate(V)(1-) 	C7H10N2O3S2Tc(-)	332.928324	NA	MeJP	NA	NA
+MJ037230	Diamminedichlorodihydroxyplatinum(IV) 	Cl2H8N2O2Pt	332.961057	NA	MeJP	NA	NA
+MJ037231	Antibiotic TAN 876B 	C13H10Cl3NO3	332.972626	NA	MeJP	NA	NA
+MJ037232	Bromfenac 	C15H12BrNO3	333.000055	NA	MeJP	NA	NA
+MJ037233	Aplysinopsin; 6-Bromo, 3'-deimino, 3'-oxo 	C14H12BrN3O2	333.011289	NA	MeJP	NA	NA
+C08404	Glucocapparin	C8H15NO9S2	333.0188	NA	KEGG	NA	NA
+MJ037234	Methyl glucosinolate 	C8H15NO9S2	333.018822	NA	MeJP	NA	NA
+MJ037235	8-Chloro-3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f]-1,2-benzisoxazole-6-carboxylic acid 	C16H9ClFNO4	333.020413	NA	MeJP	NA	NA
+MJ037236	Aeruginosin B 	C14H11N3O5S	333.041941	NA	MeJP	NA	NA
+MJ037237	Benclonidine 	C16H13Cl2N3O	333.043567	NA	MeJP	NA	NA
+C10932	Carpropamid	C15H18Cl3NO	333.0454	NA	KEGG	NA	NA
+MJ037238	Robenidine 	C15H13Cl2N5	333.0548	NA	MeJP	NA	NA
+C14951	3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one	C20H12ClNO2	333.0557	NA	KEGG	NA	NA
+MJ037239	Lettowianthine; 11-Hydroxy 	C19H11NO5	333.063722	NA	MeJP	NA	NA
+MJ037240	Bromodiphenhydramine 	C17H20BrNO	333.072826	NA	MeJP	NA	NA
+MJ037241	Meglitinide 	C17H16ClNO4	333.076785	NA	MeJP	NA	NA
+MJ037242	Reticulidin A; 7-Deoxy, 1'Z-isomer 	C16H22Cl3N	333.081782	NA	MeJP	NA	NA
+CJneg0533	N2-methylguanosine [(M+Cl)]-	C11H15ClN5O5	333.084525	C18rt(min)=4.52 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0533	N2-methylguanosine [(M+Cl)]-	C11H15ClN5O5	333.084525	C18rt(min)=4.52 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MetaCyc02927	penicillin G [benzylpenicillin;]	C16H17N2O4S1	333.090903	NA	metacyc	NA	NA
+PJ000350	PCD 	C12H19N3O6S	333.0995	NA	PeJP	NA	NA
+C05191	Dihydrosanguinarine	C20H15NO4	333.1001	NA	KEGG	NA	NA
+C05192	10-Hydroxydihydrochelirubine	C20H15NO4	333.1001	NA	KEGG	NA	NA
+C12226	Norchelerythrine	C20H15NO4	333.1001	NA	KEGG	NA	NA
+MJ037243	Bisoxatin 	C20H15NO4	333.100107	NA	MeJP	NA	NA
+MJ037244	Dihydroavicine 	C20H15NO4	333.100107	NA	MeJP	NA	NA
+MJ037245	Dihydrosanguinarine 	C20H15NO4	333.100107	NA	MeJP	NA	NA
+MJ037246	N-Norchelerythrine 	C20H15NO4	333.100107	NA	MeJP	NA	NA
+MJ037247	N-Nornitidine 	C20H15NO4	333.100107	NA	MeJP	NA	NA
+MJ037248	Telisatin A 	C20H15NO4	333.100107	NA	MeJP	NA	NA
+MJ037249	Dihydrosanguinarine 	C20H15NO4	333.100108	NA	MeJP	NA	NA
+MJ037250	Chelerythrine; 10-O-De-Me 	C20H16NO4(+)	333.100108	NA	MeJP	NA	NA
+MJ037251	Chelerythrine; 9-O-De-Me 	C20H16NO4(+)	333.100108	NA	MeJP	NA	NA
+MJ037252	Corysamine 	C20H16NO4(+)	333.100108	NA	MeJP	NA	NA
+MJ037253	Worenine 	C20H16NO4(+)	333.100108	NA	MeJP	NA	NA
+MetaCyc02928	sanguinarine []	C20H15N1O4	333.100108	2447-54-3	metacyc	NA	NA
+MetaCyc02929	dihydrosanguinarine [13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine;]	C20H15N1O4	333.100108	3606-45-9	metacyc	NA	NA
+MJ037254	Andolast 	C15H11N9O	333.108656	NA	MeJP	NA	NA
+MJ037255	Euxylophoricine F 	C19H15N3O3	333.111341	NA	MeJP	NA	NA
+PJ000351	GEE 	C12H19N3O8	333.1172	NA	PeJP	NA	NA
+7838	ACE inhibitor	EW	333.121	immunomodulating	Inhouse_peptide	NA	peptide
+MJ037256	Crinamidine, 6?-Hydroxy 	C17H19NO6	333.121237	NA	MeJP	NA	NA
+MJ037257	Crinamidine, 6?-Hydroxy 	C17H19NO6	333.121237	NA	MeJP	NA	NA
+MJ037258	Lunidonine; 3'-Hydroxy 	C17H19NO6	333.121237	NA	MeJP	NA	NA
+MJ037259	Rohitukine; N-De-Me, O3'-Ac 	C17H19NO6	333.121237	NA	MeJP	NA	NA
+MJ037260	Ungminorine, N-Oxide(?-) 	C17H19NO6	333.121237	NA	MeJP	NA	NA
+MJ037261	Pirimiphos-ethyl, ANSI 	C13H24N3O3PS	333.127598	NA	MeJP	NA	NA
+PJ000352	SNN 	C11H19N5O7	333.1285	NA	PeJP	NA	NA
+MJ037262	N-?-Glutamyltryptophan 	C16H19N3O5	333.13247	NA	MeJP	NA	NA
+PJ000353	EW 	C16H19N3O5	333.1325	NA	PeJP	NA	NA
+PJ000354	SPM 	C13H23N3O5S	333.1359	NA	PeJP	NA	NA
+C11341	N-Acetylphenylalanine beta-naphthyl ester	C21H19NO3	333.1365	NA	KEGG	NA	NA
+MJ037263	Ciglitazone 	C18H23NO3S	333.139864	NA	MeJP	NA	NA
+MJ037264	6-[[2-(Dimethylamino)ethyl]amino]-3-hydroxy-7H-indeno[2,1-c]quinolin-7-one 	C20H19N3O2	333.147726	NA	MeJP	NA	NA
+MJ037265	Angustoline, 3,14-Dihydro 	C20H19N3O2	333.147726	NA	MeJP	NA	NA
+MJ037266	Phenylalanyltryptophan anhydride 	C20H19N3O2	333.147726	NA	MeJP	NA	NA
+MJ037267	Tilivalline 	C20H19N3O2	333.147726	NA	MeJP	NA	NA
+MJ037268	Norfloxacin; N4-Me 	C17H20FN3O3	333.148869	NA	MeJP	NA	NA
+PJ000355	SVE 	C13H23N3O7	333.1536	NA	PeJP	NA	NA
+MJ037269	Tropatepine 	C22H23NS	333.15512	NA	MeJP	NA	NA
+3393	ACE inhibitor	FAP	333.157	celiac toxic	Inhouse_peptide	NA	peptide
+3573	NA	AFP	333.157	ACE inhibitor	Inhouse_peptide	NA	peptide
+C10391	Seneciphylline	C18H23NO5	333.1576	NA	KEGG	NA	NA
+C12184	Narcissidine	C18H23NO5	333.1576	NA	KEGG	NA	NA
+MJ037270	6-Hydroxy-4,8-dimethylquinoline; O-(2,4-Di-O-methyl-?-D-xylopyranoside) 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037271	Ambelline; Dihydro 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037272	Convolvine; N-Ac 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037273	Coruscine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037274	Edulinine, 2'-Ac 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037275	Egonine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037276	Erysopitine; 11-Hydroxy, O15-Me 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037277	Excentricine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037278	Galanthamidine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037279	Galanthine; 3,3a?-Epoxide 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037280	Galanthusine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037281	Graminifoline 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037282	Isosinococuline 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037283	Limalongine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037284	Narcissidine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037285	Pentoprilat; 1-Et ester 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037286	Preskimmianine; ?3',4'-Isomer,2'?-hydroxy 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037287	Ptelefoline 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037288	Senecio borysthenicus Alkaloid 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037289	Seneciphylline 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037290	Sinococuline 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037291	Stephaboline 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037292	Vallopurfine 	C18H23NO5	333.157622	NA	MeJP	NA	NA
+MJ037293	7,8-Dimethoxyplatydesmine; (S)-(?)-config.-form, N-Me 	C18H24NO5(+)	333.157622	NA	MeJP	NA	NA
+C11126	Tebufenpyrad	C18H24ClN3O	333.1608	NA	KEGG	NA	NA
+MJ037294	Primidolol 	C17H23N3O4	333.168856	NA	MeJP	NA	NA
+C11774	Primidolol	C17H23N3O4	333.1689	NA	KEGG	NA	NA
+PJ000356	APF 	C17H23N3O4	333.1689	NA	PeJP	NA	NA
+PJ000357	ALM 	C14H27N3O4S	333.1722	NA	PeJP	NA	NA
+MJ037295	Enpromate 	C22H23NO2	333.172878	NA	MeJP	NA	NA
+C15458	(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-	C22H23NO2	333.1729	NA	KEGG	NA	NA
+7644	ACE inhibitor from porcine myosin (306-308)	ITT	333.178	antioxidative	Inhouse_peptide	NA	peptide
+14	Myosin	ITT	333.179	celiac toxic	Inhouse_peptide	NA	peptide
+MJ037296	5-Methoxytryptamine; Nb-(1H-Indol-3-ylmethyl), Nb-Me 	C21H23N3O	333.184112	NA	MeJP	NA	NA
+PJ000358	TTL 	C14H27N3O6	333.19	NA	PeJP	NA	NA
+C14166	alpha-Eucaine	C19H27NO4	333.194	NA	KEGG	NA	NA
+MJ037297	4-[2-(Acetylmethylamino)ethyl]-4-(4-hydroxy-3-methoxyphenyl)-2,4-cyclohexadien-1-one; 2,3,5,6-Tetrahydro, Me ether 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037298	Cinoctramide 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037299	Convolvine; N-Isopropyl 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037300	Drotebanol 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037301	Nolomirole 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037302	Oreobeiline 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037303	Roehybrine; ?-Alcohol 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037304	Trigamine; N-Oxide 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037305	Virantmycin; 3-Dechloro, 3?-hydroxy 	C19H27NO4	333.194008	NA	MeJP	NA	NA
+MJ037306	Methylchloroquine 	C19H28ClN3	333.197175	NA	MeJP	NA	NA
+MJ037307	Deptropine 	C23H27NO	333.209264	NA	MeJP	NA	NA
+MJ037308	Eustifoline C 	C23H27NO	333.209264	NA	MeJP	NA	NA
+MJ037309	Exozoline 	C23H27NO	333.209264	NA	MeJP	NA	NA
+MJ037310	Mahanimbilol 	C23H27NO	333.209264	NA	MeJP	NA	NA
+MJ037311	Histaprodifen; N,N-Di-Me 	C22H27N3	333.220497	NA	MeJP	NA	NA
+MJ037312	Carbetapentane 	C20H31NO3	333.230393	NA	MeJP	NA	NA
+MJ037313	1-Cyclohexyl-1-(4-fluorophenyl)-4-(1-piperidinyl)-1-butanol 	C21H32FNO	333.246792	NA	MeJP	NA	NA
+MJ037314	3-Amino-12-hydroxypregnan-20-one 	C21H35NO2	333.266779	NA	MeJP	NA	NA
+MJ037315	3-Amino-14-hydroxypregnan-20-one 	C21H35NO2	333.266779	NA	MeJP	NA	NA
+MJ037316	Antibiotic JM 971C; N-Me 	C21H35NO2	333.266779	NA	MeJP	NA	NA
+MJ037317	2,4,12-Octadecatrienoic acid, 2-Methylpropylamide 	C22H39NO	333.303164	NA	MeJP	NA	NA
+MJ037318	20-Aminopregnan-3-ol, N-Me 	C22H39NO	333.303164	NA	MeJP	NA	NA
+MJ037319	5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Heptadecyl-1H-pyrrole-2-carboxaldehyde 	C22H39NO	333.303164	NA	MeJP	NA	NA
+MJ037320	Pyrrolidine; N-(3,6-Octadecadienoyl) 	C22H39NO	333.303164	NA	MeJP	NA	NA
+8141	synthetic peptide	FYPEL	333.6545	MH2+	Inhouse_peptide	NA	peptide
+3363	NA	GPAGAPGAA	333.6575	MH2+	Inhouse_peptide	NA	peptide
+3811	NA	PHCKRM	333.6727	MH2+	Inhouse_peptide	NA	peptide
+MJ037321	1-Bromo-4,6,8-trichloro-3,7-dimethyl-3,7-octadien-2-ol 	C10H14BrCl3O	333.92936	NA	MeJP	NA	NA
+C17103	Costatol	C10H14BrCl3O	333.9294	NA	KEGG	NA	NA
+MJ037322	2-Methyl-1,4-naphthalenediol; Bis(dihydrogen phosphate) 	C11H12O8P2	334.00074	NA	MeJP	NA	NA
+MJ037323	4,7-Dialkyl-1,2,3,5,6-pentathiepanes; 4-Benzyl-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane 	C13H18S5	334.001204	NA	MeJP	NA	NA
+MJ037324	5-Chloro-3-(phenylthio)-1H-indole-2-carboxamide; S,S-Dioxide 	C15H11ClN2O3S	334.01789	NA	MeJP	NA	NA
+MJ037325	1-Chloro-2,4,5-trihydroxy-7-hydroxymethylanthraquinone; 5-Me ether 	C16H11ClO6	334.024415	NA	MeJP	NA	NA
+MJ037326	2-Chloro-1,3,8-trihydroxy-6-hydroxymethylanthraquinone; 8-Me ether 	C16H11ClO6	334.024415	NA	MeJP	NA	NA
+MJ037327	Lormetazepam 	C16H12Cl2N2O2	334.027583	NA	MeJP	NA	NA
+MJ037328	Chloroquinoxaline sulfonamide 	C14H11ClN4O2S	334.029124	NA	MeJP	NA	NA
+MJ037329	2-Ferrocenoylbenzoic acid 	C18H14FeO3	334.029236	NA	MeJP	NA	NA
+FL5FELNS0002	3,5,6,7,2',3',4'-Heptahydroxyflavone	C15H10O9	334.03248	72947-67-2	knapsack	NA	NA
+FL5FFGNS0001	Hibiscetin	C15H10O9	334.03248	577-24-2	knapsack	NA	NA
+FL5FGCNS0001	8-Hydroxyquercetagetin	C15H10O9	334.03248	87926-83-8	knapsack	NA	NA
+MJ037330	2',3,3',4',5,6,7-Heptahydroxyflavone 	C15H10O9	334.032481	NA	MeJP	NA	NA
+MJ037331	3,3',4',5,6,7,8-Heptahydroxyflavone 	C15H10O9	334.032481	NA	MeJP	NA	NA
+MJ037332	Chiodectonic acid 	C15H10O9	334.032481	NA	MeJP	NA	NA
+MJ037333	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; Di-Ac 	C16H14O4S2	334.03335	NA	MeJP	NA	NA
+MetaCyc02930	5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene []	C16H14O4S2	334.03335	NA	metacyc	NA	NA
+C04606	5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene	C16H14O4S2	334.0334	NA	KEGG	NA	NA
+MJ037334	Salacinol 	C9H18O9S2	334.039223	NA	MeJP	NA	NA
+MJ037335	Aplysinopsin; 6-Bromo, 1',8-dihydro 	C14H15BrN4O	334.042923	NA	MeJP	NA	NA
+FLIFWXNF0001	Dehydrodolineone;6a,13a-Didehydrodolineone	C19H10O6	334.04773	28570-72-1	knapsack	NA	NA
+MJ037336	Dolineone; 6a,13a-Didehydro 	C19H10O6	334.047738	NA	MeJP	NA	NA
+MJ037337	Chloroethylclonidine 	C13H17Cl3N4	334.051879	NA	MeJP	NA	NA
+C00455	Nicotinamide D-ribonucleotide	C11H15N2O8P	334.0566	NA	KEGG	NA	NA
+MJ037338	Nicotinamide D-ribonucleotide 	C11H15N2O8P	334.056602	NA	MeJP	NA	NA
+HMDB00229	Nicotinamide ribotide	C11H15N2O8P	334.05661	http://www.hmdb.ca/metabolites/HMDB00229	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00229	Nicotinamide ribotide	C11H15N2O8P	334.05661	http://www.hmdb.ca/metabolites/HMDB00229	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00229	Nicotinamide ribotide	C11H15N2O8P	334.05661	http://www.hmdb.ca/metabolites/HMDB00229	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00229	Nicotinamide ribotide	C11H15N2O8P	334.05661	http://www.hmdb.ca/metabolites/HMDB00229	HMDB	NA	NA
+HMDB00229	Nicotinamide ribotide	C11H15N2O8P	334.05661	HMDB00229	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00229	Nicotinamide ribotide	C11H15N2O8P	334.05661	NA	HMDB2010	NA	NA
+MJ037339	Tuclazepam 	C17H16Cl2N2O	334.063968	NA	MeJP	NA	NA
+HMDB11649	1-(sn-Glycero-3-phospho)-1D-myo-inositol	C9H19O11P	334.066498	NA	HMDB2010	NA	NA
+MetaCyc02931	2-(&alpha;-D-galactosyl)-sn-glycerol 3-phosphate []	C9H19O11P1	334.066498	NA	metacyc	NA	NA
+MetaCyc02932	&alpha;-D-galactosyl-(1,1')-sn-glycerol 3-phosphate []	C9H19O11P1	334.066498	NA	metacyc	NA	NA
+MetaCyc02933	2-(&beta;-D-glucosyl)-sn-glycerol-3-phosphate []	C9H19O11P1	334.066498	NA	metacyc	NA	NA
+MetaCyc02934	sn-glycero-3-phospho-1-inositol [1-(sn-glycero-3-phospho)-1D-myo-inositol;]	C9H19O11P1	334.066498	NA	metacyc	NA	NA
+C01225	sn-glycero-3-Phospho-1-inositol	C9H19O11P	334.0665	NA	KEGG	NA	NA
+C04641	2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate	C9H19O11P	334.0665	NA	KEGG	NA	NA
+C04703	alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate	C9H19O11P	334.0665	NA	KEGG	NA	NA
+C10517	2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate	C9H19O11P	334.0665	NA	KEGG	NA	NA
+MJ037340	2'-Deoxyinosine 5'-phosphate 	C10H15N4O7P	334.067835	NA	MeJP	NA	NA
+MJ037341	Arborescidine C 	C16H19BrN2O	334.068075	NA	MeJP	NA	NA
+FL1BAJNS0001	Amaronol B;(-)-2-[(3,5-Dihydroxy-4-methoxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone	C16H14O8	334.06886	226561-02-0	knapsack	NA	NA
+FL4DACNM0003	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone	C16H14O8	334.06886	197247-00-0	knapsack	NA	NA
+FL4DAGNM0001	Cedrin	C16H14O8	334.06886	75513-81-4	knapsack	NA	NA
+FL4DAHNS0001	Hovenitin I;(2R,3R)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone	C16H14O8	334.06886	71106-82-6	knapsack	NA	NA
+FL4DAHNS0002	Hovenitin II;(2R,3S)-3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone	C16H14O8	334.06886	188838-86-0	knapsack	NA	NA
+FL4DAJNS0001	Pallasiin	C16H14O8	334.06886	88126-46-9	knapsack	NA	NA
+FL4DE8NS0001	Diosalol;(2R,3R)-3,5,7,2',5'-Pentahydroxy-6-methoxyflavanone	C16H14O8	334.06886	253786-85-5	knapsack	NA	NA
+MJ037342	1,2,3,4,6,8-Hexahydroxyxanthone; 2,4,6-Tri-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037343	2',3,5,5',6,7-Hexahydroxyflavanone, 6-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037344	3,3',4',5,5',7-Hexahydroxy-6-methylflavanone 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037345	3,3',4',5,5',7-Hexahydroxyflavanone, 3'-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037346	3,3',4',5,5',7-Hexahydroxyflavanone, 4'-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037347	3,3',4',5,5',7-Hexahydroxyflavanone, 3'-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037348	3,3',4',5,6,7-Hexahydroxyflavanone, 6-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037349	3,4',5,5',7-Pentahydroxy-2'-hydroxymethylflavanone 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037350	Amaronol A; 4'-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037351	Barceloneic acid A; 1'-Carboxylic acid 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037352	Diploschistesic acid 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037353	Lapidosin 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037354	Osoic acid; 3-Me ether 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037355	Papulosic acid 	C16H14O8	334.068867	NA	MeJP	NA	NA
+MJ037356	Xanthotoxol; O-?-L-Arabinopyranoside 	C16H14O8	334.068867	NA	MeJP	NA	NA
+C09770	6-Methoxytaxifolin	C16H14O8	334.0689	NA	KEGG	NA	NA
+MJ037357	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 1-O-(3-Methylbutanoyl) 	C17H18O3S2	334.069735	NA	MeJP	NA	NA
+MJ037358	4-[2,2'-Bithiophen-5-yl]-3-butyne-1,2-diol; 2-O-(3-Methylbutanoyl) 	C17H18O3S2	334.069735	NA	MeJP	NA	NA
+MJ037359	10-Bromo-2-chloro-7(14)-chamigren-3-ol 	C15H24BrClO	334.069905	NA	MeJP	NA	NA
+MJ037360	10-Bromo-2-chloro-7-chamigren-3-ol 	C15H24BrClO	334.069905	NA	MeJP	NA	NA
+MJ037361	3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol; 10-Debromo 	C15H24BrClO	334.069905	NA	MeJP	NA	NA
+MJ037362	Puertitol A 	C15H24BrClO	334.069905	NA	MeJP	NA	NA
+MJ037363	Puertitol B 	C15H24BrClO	334.069905	NA	MeJP	NA	NA
+C12400	19-Hydroxy-8-O-methyltetrangulol	C20H14O5	334.0841	NA	KEGG	NA	NA
+FLIE1ANP0002	Sophoracoumestan A	C20H14O5	334.08412	77369-93-8	knapsack	NA	NA
+MJ037364	1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 1'-Hydroxy, 8-Me ether 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037365	Cladospirone F 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037366	Fluorescin 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037367	Halenaquinol 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037368	Isosalvipuberulin 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037369	Palmarumycin CP1; 2?,3?-Epoxide, 4?-alcohol 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037370	Palmarumycin CP1; 2?,3?-Epoxide, 4?-alcohol 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037371	Palmarumycin CP1; 2?,3?-Epoxide, 4?-alcohol 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037372	Palmarumycin CP3 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037373	Plicadin 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037374	Salvipuberulin 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037375	Sophoracoumestan A 	C20H14O5	334.084123	NA	MeJP	NA	NA
+MJ037376	Progabide 	C17H16ClFN2O2	334.088433	NA	MeJP	NA	NA
+MJ037377	Xylonic acid, 2,3,4,5-Tetra-Ac 	C13H18O10	334.089996	NA	MeJP	NA	NA
+C10966	Chlorpromazine N-oxide	C17H19ClN2OS	334.0907	NA	KEGG	NA	NA
+MJ037378	Triflubazam 	C17H13F3N2O2	334.092912	NA	MeJP	NA	NA
+C11305	Triphenyltetrazolium chloride	C19H15N4	334.0985	NA	KEGG	NA	NA
+C05551	Penicillin G	C16H18N2O4S	334.0987	NA	KEGG	NA	NA
+MJ037379	6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[(2-pyridinylmethyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C16H18N2O4S	334.098727	NA	MeJP	NA	NA
+MJ037380	Benzylpenicillin 	C16H18N2O4S	334.098727	NA	MeJP	NA	NA
+MJ037381	Sulfaproxyline 	C16H18N2O4S	334.098727	NA	MeJP	NA	NA
+MJ037382	Penicillin G 	C16H18N2O4S	334.098727	NA	MeJP	NA	NA
+MJ037383	?-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid, N2-?-D-Glucosyl 	C12H18N2O9	334.10123	NA	MeJP	NA	NA
+FL6D3CNS0005	Mesquitol-4beta-ol 3,8-dimethyl ether	C17H18O7	334.10525	-	knapsack	NA	NA
+FL6D3CNS0006	Epimesquitol-4alpha-ol 4-ethyl ether	C17H18O7	334.10525	104806-84-0	knapsack	NA	NA
+MJ037384	1,10-Epoxy-3-hydroxy-4,11(13)-germacradiene-12,8:15,6-diolide, Ac 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037385	1,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, 1-Ac 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037386	1,3-Dihydroxy-4,9,11(13)-germacratriene-12,8;14,6-diolide, 3-Ac 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037387	1,8-Dihydroxy-4,7(11),9-germacratriene-12,8:15,6-diolide, 1-Ac 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037388	3,3',4,4',7,8-Hexahydroxyflavan, 4-Et ether 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037389	3,3',4,4',7,8-Hexahydroxyflavan, 3,8-Di-Me ether 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037390	4-Methoxy-6-[2-(3,4-methylenedioxyphenyl)ethyl]-2H-pyran-2-one; 10,14-Dimethoxy 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037391	5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 7'R-Hydroxy 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037392	5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 7'S-Hydroxy 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037393	5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 2'-Hydroxy 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037394	5,6-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 5-Me ether, 6-O-(2R,3-dihydroxy-3-methylbutanoyl) 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037395	8,12-Epoxy-9-hydroxy-1(10),4,7,11-germacratetraen-15,6-olide, 1?,4?:5?,10?-Diepoxide, Ac 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037396	Altersolanol G 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037397	Byakangelicin 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037398	Calefolione; 2'-O-(2-Methylpropanoyl) 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037399	Erythrostominone; 2'?-Alcohol, 4-deoxy (1) 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037400	Erythrostominone; 2'?-Alcohol, 4-deoxy (2) 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037401	Fusarubin; 3,9-Di-Me ether 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037402	Fusarubin; 3-Et ether 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037403	Hamaudol, 13-Hydroxy, 3-Ac 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037404	Isobyakangelicin 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037405	Isobyakangelicolic acid 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037406	Metasequirin A; 3''-Hydroxy 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037407	Nanaomycin B; Me ester 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037408	Senaequidolide 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037409	Thamontanin 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037410	Ventiloquinone D 	C17H18O7	334.105252	NA	MeJP	NA	NA
+MJ037411	Ventiloquinone K 	C17H18O7	334.105252	NA	MeJP	NA	NA
+C09141	Byakangelicin	C17H18O7	334.1053	NA	KEGG	NA	NA
+C14874	Glutathione episulfonium ion	C12H20N3O6S	334.1073	NA	KEGG	NA	NA
+C09430	Fagaridine	C20H16NO4	334.1079	NA	KEGG	NA	NA
+C17083	Worenine	C20H16NO4	334.1079	NA	KEGG	NA	NA
+PJ000359	SND 	C11H18N4O8	334.1125	NA	PeJP	NA	NA
+MJ037412	6-Hydroxy-1H-indole-3-acetic acid; Nitrile, O-?-D-glucopyranoside 	C16H18N2O6	334.116486	NA	MeJP	NA	NA
+FL3FA9NP0004	Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C21H18O4	334.1205	64125-33-3	knapsack	NA	NA
+FL3FA9NP0005	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C21H18O4	334.1205	74517-64-9	knapsack	NA	NA
+FL5F19NP0001	Karanjachromene;Pongaflavone;3-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C21H18O4	334.1205	38070-93-8	knapsack	NA	NA
+FLIA1ANP0003	Calopogoniumisoflavone A	C21H18O4	334.1205	31273-64-0	knapsack	NA	NA
+FLIDWXNP0002	3-O-Methylanhydrotuberosin;3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene	C21H18O4	334.1205	41347-50-6	knapsack	NA	NA
+MJ037413	5-Hydroxy-8,8-dimethyl-2-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; Me ether 	C21H18O4	334.120509	NA	MeJP	NA	NA
+MJ037414	Anhydrotuberosin; 3-Me ether 	C21H18O4	334.120509	NA	MeJP	NA	NA
+MJ037415	Bidwillon C; Me ether 	C21H18O4	334.120509	NA	MeJP	NA	NA
+MJ037416	Isopongaflavone 	C21H18O4	334.120509	NA	MeJP	NA	NA
+MJ037417	Karanjachromene 	C21H18O4	334.120509	NA	MeJP	NA	NA
+MJ037418	9,9'-Bi-9H-pyrido[3,4-b]indole 	C22H14N4	334.121846	NA	MeJP	NA	NA
+MJ037419	2-(4-Fluorophenyl)-4-methoxy-3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine 	C19H15FN4O	334.122989	NA	MeJP	NA	NA
+MJ037420	4,5-Dihydroxy-4-(2-hydroxyethyl)-2-cyclohexen-1-one, 2'-O-?-D-Glucopyranoside 	C14H22O9	334.126382	NA	MeJP	NA	NA
+MJ037421	Alatoside 	C14H22O9	334.126382	NA	MeJP	NA	NA
+MJ037422	Thiazinamium(1+), Chloride 	C18H23ClN2S	334.127047	NA	MeJP	NA	NA
+C06681	Mitomycin	C15H18N4O5	334.1277	NA	KEGG	NA	NA
+MJ037423	Mitomycin C 	C15H18N4O5	334.127719	NA	MeJP	NA	NA
+PJ000360	GQM 	C12H22N4O5S	334.1311	NA	PeJP	NA	NA
+MJ037424	3-p-Anisylidene-6-benzylidene-2,5-piperazinedione, N4-Me 	C20H18N2O3	334.131742	NA	MeJP	NA	NA
+MJ037425	Cinnofuradione 	C20H18N2O3	334.131742	NA	MeJP	NA	NA
+MJ037426	Mappicine, 9-Methoxy, 18-ketone 	C20H18N2O3	334.131742	NA	MeJP	NA	NA
+MJ037427	Xanthocillin X; 1'',2''-Dihydro, 3'-hydroxy, di-Me ether 	C20H18N2O3	334.131742	NA	MeJP	NA	NA
+7643	ACE inhibitor from porcine myosin (307-309)	TTN	334.1369	antioxidative	Inhouse_peptide	NA	peptide
+13	Myosin	TTN	334.138	celiac toxic	Inhouse_peptide	NA	peptide
+7847	NA	YPFWG	334.1415	MH2+	Inhouse_peptide	NA	peptide
+MJ037428	1,2-Bis(3,4,5-trihydroxyphenyl)ethane; 3,3',4,4'-Tetra-Me ether 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037429	1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, 1-Me ether 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037430	1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,4',5'-Tetra-Me ether 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037431	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Me ester, Ac 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037432	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-propanoyl 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037433	3-Ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone; 1'-Aldehyde, O-(3-methyl-2-butenyl) 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037434	9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5-tigloyl, 8-Ac 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037435	Combretastatin 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037436	Nordinone; 4R,5R-Epoxide 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037437	Octandrenolone; 3,4-Dihydro, 3?,4?-dihydroxy 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037438	Octandrenolone; 9,10-Dihydro, 9?,10?-dihydroxy 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037439	Sinapyl alcohol, 1-O-Angeloyl, 4'-Ac 	C18H22O6	334.141638	NA	MeJP	NA	NA
+MJ037440	Tetrodecamycin 	C18H22O6	334.141638	NA	MeJP	NA	NA
+PJ000361	GCR 	C11H22N6O4S	334.1423	NA	PeJP	NA	NA
+MJ037441	4-Methoxy-5-[(3-methoxy-5-pyrrol-2-yl-2H-pyrrol-2-ylidene)methyl]-2,2'-bipyrrole 	C19H18N4O2	334.142975	NA	MeJP	NA	NA
+MJ037442	Penidiamide 	C19H18N4O2	334.142975	NA	MeJP	NA	NA
+MJ037443	Pimobendan 	C19H18N4O2	334.142975	NA	MeJP	NA	NA
+MJ037444	Amifloxacin 	C16H19FN4O3	334.144118	NA	MeJP	NA	NA
+3418	NA	HQAAGW	334.145	MH2+	Inhouse_peptide	NA	peptide
+PJ000362	STQ 	C12H22N4O7	334.1489	NA	PeJP	NA	NA
+MJ037445	Fusarochromanone; 3'-N-Ac 	C17H22N2O5	334.152871	NA	MeJP	NA	NA
+MJ037446	Septorine; N-Methoxy, 1'-alcohol 	C17H22N2O5	334.152871	NA	MeJP	NA	NA
+7632	ACE inhibitor from b-Lg (fr, 7-9)	MKG	334.1554	antioxidative	Inhouse_peptide	NA	peptide
+MJ037447	2,3-Dihydro-1,4,5-trimethoxy-9-phenyl-1H-phenalene 	C22H22O3	334.156894	NA	MeJP	NA	NA
+MJ037448	2,3-Dihydro-1,4,9-trimethoxy-7-phenyl-1H-phenalene 	C22H22O3	334.156894	NA	MeJP	NA	NA
+C15105	9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione	C19H23FO4	334.158	NA	KEGG	NA	NA
+MJ037449	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methylthio-2-propenoyl) (E-) 	C19H26O3S	334.160265	NA	MeJP	NA	NA
+MJ037450	3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methylthio-2Z-propenoyl) 	C19H26O3S	334.160265	NA	MeJP	NA	NA
+MJ037451	Cerberidol; 3-O-?-D-Allopyranoside 	C15H26O8	334.162767	NA	MeJP	NA	NA
+MJ037452	Tetroxoprim 	C16H22N4O4	334.164105	NA	MeJP	NA	NA
+C10745	Veprisinium	C18H24NO5	334.1654	NA	KEGG	NA	NA
+PJ000363	GKM 	C13H26N4O4S	334.1675	NA	PeJP	NA	NA
+C06522	Strychnine	C21H22N2O2	334.1681	NA	KEGG	NA	NA
+C11807	Vinorine	C21H22N2O2	334.1681	NA	KEGG	NA	NA
+MJ037453	1-[8-Methoxy-4-[(2-methylphenyl)amino]-3-quinolinyl]-1-butanone 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037454	10,22-Dioxokopsane; N-Me 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037455	3,4-Diphenyl-1H-pyrazole-5-acetic acid; 1-(2-Methylpropyl) 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037456	Andranginine 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037457	Apovincamine; 14,15-Didehydro 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037458	Isostrychnine 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037459	Strychnine 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MJ037460	Vomilenine; Deoxy 	C21H22N2O2	334.168127	NA	MeJP	NA	NA
+MetaCyc02935	vinorine []	C21H22N2O2	334.168128	NA	metacyc	NA	NA
+HMDB04634	4-Chloromethandienone	C20H27ClO2	334.16995	http://www.hmdb.ca/metabolites/HMDB04634	HMDB	NA	NA
+HMDB04634	4-Chloromethandienone	C20H27ClO2	334.16995	HMDB04634	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04634	4-Chloromethandienone	C20H27ClO2	334.169952	NA	HMDB2010	NA	NA
+MJ037461	8,11,13-Abietatrien-18-oic acid; 12-Chloro 	C20H27ClO2	334.169957	NA	MeJP	NA	NA
+MJ037462	8,11,13-Abietatrien-18-oic acid; 14-Chloro 	C20H27ClO2	334.169957	NA	MeJP	NA	NA
+MJ037463	Spectinomycin; 4R-Alcohol 	C14H26N2O7	334.174001	NA	MeJP	NA	NA
+MJ037464	6,6-Difluoro-17-hydroxy-19-norpregn-4-en-20-yn-3-one 	C20H24F2O2	334.174436	NA	MeJP	NA	NA
+MJ037465	1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037466	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037467	1,10-Epoxyfuranoeremophilane-6,9-diol, 9-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037468	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037469	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Methyl-2-propenoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037470	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037471	1,6-Dihydroxy-4,9,11(13)-germacratrien-12,8-olide, 6-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037472	1,6-Dihydroxyfuranoeremophilan-9-one, 6-(Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037473	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037474	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037475	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037476	1,8-Dihydroxy-4(15),7(11)-eudesmadien-12,8-olide, 8-Et ether, 1-Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037477	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-(2-methylpropanoyl), 1-(2-methylbutanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037478	1-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-(2-methylpropanoyl), 1-(3-methylbutanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037479	12,13-Dihydroxy-1(10)-aromadendren-2-one, Di-Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037480	12,14-Dihydroxy-3(15),6-caryophylladien-8-one, 12,14-Di-Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037481	12,14-Dihydroxy-3(15)-longipinen-4-one; Di-Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037482	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037483	14-Hydroxy-4-oxo-11(13)-pseudoguaien-12,6-olide, 14-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037484	15,16-Epoxy-2,3,19-trihydroxy-18-nor-8(17),13(16),14-labdatrien-12-one 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037485	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Hydroxy-2-methylpropanoyl 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037486	17,19-Dihydroxy-2-oxa-13(16),14-spongiadien-3-one 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037487	2,3,14-Trihydroxyandrost-7-ene-6,17-dione 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037488	2,3-Dihydroxy-4,7(11)-acoradien-8-one; Di-Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037489	3,4-Scirpenediol, 4-(2Z-Butenoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037490	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037491	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037492	3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037493	3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037494	4,10-Dihydroxy-2,8-neolemnadien-5-one, Di-Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037495	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037496	4,6-Dihydroxyfuranoeremophilan-9-one, 6-(Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037497	4,8-Scirpenediol, 4-O-(2Z-Butenoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037498	4-Patchoulen-3-one; 12,15-Diacetoxy 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037499	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037500	6,15-Dihydroxy-1,3,11(13)-elematrien-12,8-olide, 6-(Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037501	6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 9-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037502	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2-Methylpropanoyl 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037503	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037504	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037505	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037506	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037507	8,9-Dihydroxymontahibisciolide, 8-(2-Methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037508	8,9-Epoxy-p-mentha-1,3,5-triene-3,7-diol; 3-(2-Methylpropanoyl), 7-(2-methylbutanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037509	8,9-Epoxy-p-mentha-1,3,5-triene-3,7-diol; 3-(2-Methylpropanoyl), 7-(3-methylbutanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037510	8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, 2-Methylpropanoyl 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037511	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; 3-(2-Methylpropanoyl), 8-(2-methylbutanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037512	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; 3-(2-Methylpropanoyl), 8-(3-methylbutanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037513	Flexilin; 14-Oxo 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037514	Furanoeremophil-1(10)-ene-4,6-diol, 1?,10?-Epoxide, 6-(2-methylpropanoyl) 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037515	Gibberellin A10 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037516	Incaspin 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037517	Juruenolide C 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037518	Kyrsteniopsolide; 18?-Hydroxy 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037519	Mammea C/OB; 3,4-Dihydro 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037520	Neolemnane; Ac 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037521	Pallescensin A, 2?,15-Diacetoxy 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037522	Plagiochiline C 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037523	Plagiochiline S 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037524	Posthumulone 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037525	Salvicanaric acid 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037526	Trisporic acid D; Me ester 	C19H26O5	334.178023	NA	MeJP	NA	NA
+MJ037527	Difenamizole 	C20H22N4O	334.179361	NA	MeJP	NA	NA
+7892	peptide from bovine b-lactoglobulin A	MHIRL	334.1837	MH2+	Inhouse_peptide	NA	peptide
+PJ000364	STK 	C13H26N4O6	334.1852	NA	PeJP	NA	NA
+MJ037528	Threonylseryllysine; L-L-L-form 	C13H26N4O6	334.185234	NA	MeJP	NA	NA
+MJ037529	Proglumide 	C18H26N2O4	334.189257	NA	MeJP	NA	NA
+3529	ACE inhibitor	AVNPIR	334.19245	MH2+	Inhouse_peptide	NA	peptide
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR482	Leukotriene E4 F4	NA	334.193225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR482	Leukotriene E4 F4	NA	334.193225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR482	Leukotriene E4 F4	NA	334.193225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR482	Leukotriene E4 F4	NA	334.193225	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR482	Leukotriene E4 F4	F4	334.193225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ037530	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 14,15-Dihydro 	C23H26O2	334.19328	NA	MeJP	NA	NA
+C14621	9-Fluoro-17-methyl-11-oxotestosterone	C20H27FO3	334.1944	NA	KEGG	NA	NA
+C15065	9-Fluoro-11beta-hydroxy-A-norpregn-3(5)-ene-2,20-dione	C20H27FO3	334.1944	NA	KEGG	NA	NA
+C15092	9-Fluoro-11beta,17beta-dihydroxy-16alpha-methylandrosta-1,4-dien-3-	C20H27FO3	334.1944	NA	KEGG	NA	NA
+MJ037531	2,6-Dimethyl-7-octene-1,6-diol; 8-O-?-D-Glucopyranoside 	C16H30O7	334.199153	NA	MeJP	NA	NA
+MJ037532	3,7-Dimethyl-2-octene-1,8-diol; 1-O-?-D-Glucopyranoside 	C16H30O7	334.199153	NA	MeJP	NA	NA
+MJ037533	3,7-Dimethyl-5-octene-1,7-diol, 1-O-?-D-Glucopyranoside 	C16H30O7	334.199153	NA	MeJP	NA	NA
+MJ037534	3-Hydroxydecanoic acid, O-Rhamnoside 	C16H30O7	334.199153	NA	MeJP	NA	NA
+MJ037535	p-Menthane-7,8-diol, 7-O-?-D-Glucopyranoside 	C16H30O7	334.199153	NA	MeJP	NA	NA
+MJ037536	p-Menthane-7,8-diol, 8-O-?-D-Glucopyranoside 	C16H30O7	334.199153	NA	MeJP	NA	NA
+MJ037537	N-[2-[2-(Phenylmethyl)-1H-indol-3-yl]ethyl]pentamide 	C22H26N2O	334.204513	NA	MeJP	NA	NA
+MJ037538	Sophorbenzamine 	C22H26N2O	334.204513	NA	MeJP	NA	NA
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.2144	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.2144	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.2144	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.2144	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.2144	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.2144	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.2144	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.2144	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.2144	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.2144	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.2144	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.2144	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.2144	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.2144	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.2144	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.2144	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.2144	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.2144	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.2144	Wishlist	Inhousejuil11	NA	NA
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.2144	Wishlist	Inhousejuil11	NA	NA
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.2144	Wishlist	Inhousejuil11	NA	NA
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.2144	Wishlist	Inhousejuil11	NA	NA
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.2144	Wishlist	Inhousejuil11	NA	NA
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.2144	Wishlist	Inhousejuil11	NA	NA
+C05949	12-Keto-leukotriene B4	C20H30O4	334.2144	NA	KEGG	NA	NA
+C05953	Prostaglandin A2	C20H30O4	334.2144	NA	KEGG	NA	NA
+C05954	Prostaglandin B2	C20H30O4	334.2144	NA	KEGG	NA	NA
+C05955	Prostaglandin C2	C20H30O4	334.2144	NA	KEGG	NA	NA
+C05957	Prostaglandin J2	C20H30O4	334.2144	NA	KEGG	NA	NA
+C05958	delta-12-Prostaglandin J2	C20H30O4	334.2144	NA	KEGG	NA	NA
+C09125	Lathyrol	C20H30O4	334.2144	NA	KEGG	NA	NA
+C09150	17-Oxogrindelic acid	C20H30O4	334.2144	NA	KEGG	NA	NA
+C11876	6beta,7beta-Dihydroxykaurenoic acid	C20H30O4	334.2144	NA	KEGG	NA	NA
+C14504	Di-n-hexyl phthalate	C20H30O4	334.2144	NA	KEGG	NA	NA
+C14815	5,6-Epoxytetraene	C20H30O4	334.2144	NA	KEGG	NA	NA
+C14913	17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate	C20H30O4	334.2144	NA	KEGG	NA	NA
+C15159	3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-	C20H30O4	334.2144	NA	KEGG	NA	NA
+C18173	Resolvin E2	C20H30O4	334.2144	NA	KEGG	NA	NA
+MJ037539	delta-12-13,14-Dihydro-prostaglandin J2 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037540	12-Keto-leukotriene B4 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037541	Prostaglandin A2 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037542	Prostaglandin B2 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037543	Prostaglandin C2 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037544	Prostaglandin J2 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037545	1,10-Epoxy-15,16-dihydroxy-3-erythoxylen-2-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037546	1,11,15-Trihydroxy-3,12-cyathadien-14-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037547	1,11-Dihydroxy-7,17-sacculatadien-12,11-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037548	1,2,3-Trihydroxy-12,15-cassadien-11-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037549	1,2-Epoxy-13-oxo-6,10,14-phytatrien-20,1-olide, 13S-Alcohol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037550	1,20-Dihydroxy-2,6,10,14-phytatetraen-18,9-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037551	1,3,5,10-Farnesatetraene-7,9-diol, 10,11-Epoxide, 9-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037552	1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Epoxide, 9-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037553	1,7,14-Trihydroxy-16-kauren-15-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037554	1-(2,4,6-Trihydroxyphenyl)-9-tetradecen-1-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037555	1-Hydroxy-15-oxo-16-kauren-19-oic acid, 16?,17-Dihydro 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037556	1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, O-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037557	10(20),15-Grayanotoxadiene-3,5,6,14-tetrol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037558	10(20),15-Leucothdiene-3,5,6,14-tetrol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037559	11,12-Epoxy-10-hydroxy-5,8,14,17-eicosatetraenoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037560	11,12-Epoxy-4-hydroxy-7,15(17)-cembradien-16,3-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037561	11,14-Epidioxy-15-hydroxy-8(17),12-labdadien-16-al 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037562	11,15,19-Trihydroxy-3,12-cyathadien-14-one; 11?-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037563	11,15-Dihydroxy-16-kauren-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037564	11,15-Dihydroxy-9-oxo-5,13-prostadienoic acid, 1,15-Lactone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037565	11-Eremophilene-2,8,9-triol, 2-Ketone, 9-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037566	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-butenoyl) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037567	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037568	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-tigloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037569	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037570	11-Hydroxy-15-oxo-19-kauranoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037571	12,13-Dihydroxy-5,8,10,14,17-eicosapentaenoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037572	12,15-Dihydroxy-16-kauren-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037573	12,15-Dihydroxy-7,13-labdadien-16,15-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037574	12,15-Dihydroxy-8(17),13-labdadien-16,15-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037575	12,15-Epoxy-15-hydroxy-8(17),13-labdadien-16-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037576	12,16-Dihydroxy-7,13-labdadien-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037577	12,16-Dihydroxy-8(14)-pimarene-3,15-dione 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037578	12-Hydroxy-16-oxo-6,13-labdadien-15-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037579	12-Hydroxy-4,11(13)-guaiadien-3-one, (2-Hydroxy-2-methylbutanoyl) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037580	12-Hydroxy-5-oxo-6,8,10,14-eicosatetraenoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037581	12-Isoprenyl-3-cedrene-14,19-dioic acid; 17,18R-Dihydro 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037582	13,14-Epoxy-7,8-seco-7,19-abietanolide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037583	13,16-Spatadiene-5,15,18,19-tetrol, 5-Ketone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037584	13,18-Dihydroxy-8(14)-abieten-7-one; 13?-form, 18-Carboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037585	13,19-Dihydroxy-1,3,7-cembratriene-9,14-dione 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037586	13-Hydroxy-7-oxo-9,11-seco-8-abieten-11,14-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037587	14-Serrulatene-2,7,8,20-tetrol; 2?-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037588	14-Serrulatene-3,7,8,20-tetrol; 3?-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037589	15,16,19-Trihydroxy-3,13-clerodadien-18-oic acid, 18?19 Lactone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037590	15,16-Dihydroxy-3-erythroxylene-2,7-dione 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037591	15,16-Epoxy,3,4-dihydroxy-13(16),14-clerodadien-12-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037592	15,16-Epoxy-7,9-dihydroxy-13(16),14-labdadien-6-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037593	15,17-Epoxy-17-hydroxy-16-spongianone; 17?-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037594	15-Hydroxy-3-cleroden-18,19-olide, 15-Carboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037595	15-Hydroxy-9-oxo-5,10,13-prostatrien-1-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037596	15-Hydroxy-9-oxo-5,8(12),13-prostatrienoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037597	15-Kaurene-17,19-diol; ent-form, 19-Carboxylic acid, 15?,16?-epoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037598	15-Oxo-1(10),13-halimadien-18-oic acid, 15-Carboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037599	16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide; 16-Deoxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037600	16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide; 17-Deoxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037601	16,17-Dihydroxy-9(11)-kauren-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037602	16,17-Epoxy-14,15-dihydroxy-12-cleistanthen-11-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037603	16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037604	16-Kaurene-3,11,13,15-tetrol, 15-Ketone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037605	17,18-Epoxy-1(19),6,10,12-xenicatetraene-8,14,19-triol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037606	17,19-Kauranediol, Dicarboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037607	18,19-Dihydroxy-3,13-clerodadien-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037608	18,19-Dihydroxy-8(17),13-labdadien-16,15-olide; ent-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037609	18-Hydroxy-3-oxo-8(17),13-labdadien-15-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037610	19-Hydroxy-3-oxo-17-kauranoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037611	2(4),14-Decipiadiene-1,18,19-triol; 1-Carboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037612	2,15,16-Trihydroxy-1,7-pimaradien-3-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037613	2,16-Dihydroxy-8(17),13-labdadien-16,15-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037614	2,18-Dihydroxy-8(17),13-labdadien-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037615	2,19-Dihydroxy-8(17),13-labdadien-16,15-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037616	2,3-Seco-15-beyerene-2,3-dioic acid; ent-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037617	2,4,6,10-Farnesatetraene-1,9-diol; 10,11-Epoxide, 9-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037618	2,5,8-Presilphiperfolanetriol, 5-Ketone, 2-angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037619	2,5-Dihydroxy-3-eudesmen-1-one, 2-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037620	2,5-Dihydroxy-3-tridecyl-1,4-benzoquinone; 8',9'-Didehydro(Z-), 5-Me ether 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037621	2,6,10,14-Phytatetraene-1,20-diol, 1,20-Dicarboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037622	2,6,14-Phytatrien-1,20-olid-18-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037623	2,6-Dihydroxy-4(18),13-clerodadien-16,15-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037624	2,6-Dihydroxy-8,13-labdadien-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037625	2,7,14-Trihydroxy-16-kauren-15-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037626	2,8-Dihydroxy-4,11-guaiadien-3-one, 8-(3-Methylbutanoyl) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037627	2-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037628	2-Hydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037629	20-Hydroxy-3,7,15-cembratrien-19-oic acid, 11,12(Z)-Didehydro, 17-hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037630	3,11-Dihydroxy-4,7,15(17)-cembratrien-16,12-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037631	3,12-Cyathadiene-11,14,15-triol, 14-Ketone, 3?,4?-epoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037632	3,12-Dihydroxy-1,10,14-phytatriene-5,13-dione; 6,7-Didehydro (E-) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037633	3,12-Dihydroxy-1,10,14-phytatriene-5,13-dione; 6,7-Didehydro (Z-) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037634	3,13-Clerodadiene-15,18-diol, Dicarboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037635	3,13-Epoxy-4-hydroxy-7,15(17)-cembradien-16,14-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037636	3,16-Dihydroxy-3-erythoxylene-2,15-dione 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037637	3,16-Dihydroxy-4(18),13-clerodadien-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037638	3,16-Dihydroxy-7-isopimarene-2,15-dione 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037639	3,18-Dihydroxy-19-trachylobanoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037640	3,19-Dihydroxy-8(17),13-labdadien-16,15-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037641	3,20-Epoxy-13-hydroxy-6,10,14-phytatrien-1,20-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037642	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037643	3,4-Dihydroxy-13-cleroden-15,16-olide, 3-Ketone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037644	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037645	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Methyl-2-butenoyl) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037646	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037647	3,4-Epoxy-11-hydroxy-7,15(17)-cembradien-16,12-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037648	3,4-Epoxy-13-cleroden-15,16-olide, 16?-Hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037649	3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037650	3,4:15,16-Diepoxy-13(16),14-clerodadiene-12,20-diol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037651	3,5,7-Vouacapanetriol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037652	3,5-Dihydroxy-13(17),15-cleistanthadien-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037653	3,7,14-Trihydroxy-16-kauren-15-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037654	3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-Tigloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037655	3-Hydroxy-12-oxo-4(18),13(16)-clerodadien-15-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037656	3-Hydroxy-17-oxo-13-labden-15-oic acid, 3-Ketone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037657	3-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 3-Methylbutanoyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037658	3-Hydroxy-4(15)-eudesmen-12-oic acid, 3-Methyl-2-butenoyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037659	3-Hydroxy-4(15)-eudesmen-12-oic acid, Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037660	3-Hydroxy-4(15)-eudesmen-12-oic acid, Tigloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037661	3-Hydroxy-7-oxo-13(15)-cassen-16-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037662	4,13-Epoxy-3-hydroxy-7,15(17)-cembradien-16,14-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037663	4,20:15,16-Diepoxy-13(16),14-clerodadiene-3,12-diol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037664	4,6-Dihydroxy-8-daucen-10-one, 6-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037665	4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037666	4-Hydroxycrenulide; 18?-Hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037667	4-Patchoulen-3-one; 15-(3-Hydroxy-3-methylbutanoyloxy) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037668	5,10-Dihydroxy-8-daucen-2-one, 10-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037669	5,12-Dihydroxy-6,8,10,14,17-eicosapentaenoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037670	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 12-Oxo 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037671	5,6-Dihydroxy-7,9,11,14,17-eicosapentaenoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037672	5,7,19-Vouacapanetriol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037673	5,8,11,14-Eicosatetraenedioic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037674	5,9-Epoxy-10(20)-grayanotoxene-3,6,16-triol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037675	6,12-Epoxy-1(10),4-germacradiene-8,12-diol, 8-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037676	6,13-Dihydroxy-7-oxo-8(14)-abieten-19-al 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037677	6,18,19-Trihydroxy-16-kauren-2-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037678	6,18-Dihydroxy-3,13-clerodadien-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037679	6,7,14-Vouacapanetriol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037680	6,7-Dihydroxy-16-kauren-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037681	6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 7-Ketone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037682	6,7-Epoxy-3(15)-caryophyllene-8,14-diol, 14-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037683	6,9,16-Trihydroxy-7-isopimaren-19-oic acid, 19?6 Lactone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037684	6,9:15,16-Diepoxy-9-hydroxy-8,9-seco-13(16),14-labdadien-7-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037685	6-Hydroxy-7-labdene-15,19-dioic acid, 19?6 Lactone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037686	7,10-Dioxo-5-berdimeren-20-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037687	7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 7,11-Dideoxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037688	7,11-Epoxy-1,3,5-farnesatriene-9,10-diol, 9-Angeloyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037689	7,13(16)-Labdadiene-15,19-dioic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037690	7,13-Abietadien-18-oic acid; 7?,8?:13?,14?-Diepoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037691	7,13-Labdadiene-15,16,17-triol, 15-Carboxylic acid, 17-aldehyde 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037692	7,13-Labdadiene-15,18-dioic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037693	7,14,18-Trihydroxy-16-kauren-15-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037694	7,18-Dihydroxy-8(14),15-isopimaradien-2-one, 19-Hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037695	8(17),13-Labdadiene-15,18-diol, 15,18-Dicarboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037696	8(17),13-Labdadiene-15,19-dioic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037697	8(17),13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-ketone, 8?,17-epoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037698	8,11,13-Abietatriene-11,12,16,19-tetrol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037699	8,11,13-Abietatriene-11,12,16,20-tetrol 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037700	8,12-Epoxy-3-oxo-16,11-labdanolide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037701	8,12-Epoxy-5,11-dihydroxy-12,14-labdadien-1-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037702	8,13-Abietadien-18-oic acid; 8?,9?:13?,14?-Diepoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037703	8-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, 2-Methylbutanoyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037704	8-Hydroxy-1(10),4,11(13)-germacratrien-12-oic acid, 3-Methylbutanoyl 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037705	8-Hydroxy-12-oxo-13-abieten-18-oic acid; 8?-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037706	8-Hydroxy-13-oxo-5,9,11,14-eicosatetraenoic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037707	9,13-Epidioxy-8(14)-abieten-18-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037708	9,13-Epoxy-18-hydroxy-14-labden-7-one, 18-Carboxylic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037709	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Aldehyde 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037710	9,13-Epoxy-6-hydroxy-7-labden-15-oic acid, 6-Ketone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037711	9,13:15,16-Diepoxy-7-hydroxy-14-labden-6-one 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037712	9,15-Dihydroxy-16-atisen-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037713	9,15-Dihydroxy-16-kauren-19-oic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037714	9,17-Octadecadiene-12,14-diyne-1,11,16-triol, 17,18-Dihydro, 1-Ac 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037715	9-Hydroxy-7-oxo-13-labden-15,16-olide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037716	9-Hydroxy-7-oxo-15-abieten-18-oic acid; 9?-form 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037717	Agrostistachin; 17-Hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037718	Aldovibsanin A 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037719	Allocyathin A4 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037720	Antibiotic Sch 49027 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037721	Antibiotic Sch 49028 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037722	Cadlinolide B 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037723	Chapecoderin A 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037724	Chapecoderin B 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037725	Chelonaplysin B 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037726	Cheloviolene A 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037727	Constanolactone C 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037728	Constanolactone G 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037729	Coronarin B 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037730	Crinipellin A; 4?-Alcohol, 3?,18-dihydro 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037731	Crispanone 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037732	Cymathere ether B 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037733	Cymbodiacetal 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037734	Ecklonialactone F 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037735	Eupatalbin 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037736	Eupatoralbin 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037737	Floridicin 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037738	Florlide A; 15-Deoxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037739	Fukinanolide; 9?-Hydroxy, 9-(3-methylbutanoyl) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037740	Furanoeudesmane-3,4-diol, 3-(3-Methylbutanoyl) 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037741	Halicholactone; 17Z,18-Didehydro 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037742	Hyalic acid; 16?,17-Dihydro 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037743	Hymenophylloide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037744	Ichthyouleolide; 14,15-Dihydro, 13,14-didehydro, 15-hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037745	Ichthyouleolide; 14,15-Dihydro, 15,17-didehydro, 14-hydroxy 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037746	Isohallerin 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037747	Isomulinic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037748	Mayolide A 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037749	Membrenone C 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037750	Mulinic acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037751	Phomactin A 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037752	Phomactin B 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037753	Phomactin E; 8?,9?-Epoxide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037754	Pilosanone C 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037755	Prostaglandin C3; 17,18-Dihydro 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037756	Viguieric acid 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037757	Xenialactol D 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037758	Xestolide 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MJ037759	?-Cyclohallerin 	C20H30O4	334.214409	NA	MeJP	NA	NA
+MetaCyc02936	ent-6&alpha;, 7&alpha;-dihydroxykaur-16-en-19-oate []	C20H30O4	334.214409	NA	metacyc	NA	NA
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	HMDB	NA	NA
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	HMDB	NA	NA
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	HMDB	NA	NA
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	HMDB	NA	NA
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	HMDB	NA	NA
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	HMDB	NA	NA
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	Inhouse_PFEM	NA	NA
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	Inhouse_PFEM	NA	NA
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	Inhouse_PFEM	NA	NA
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	Inhouse_PFEM	NA	NA
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	Inhouse_PFEM	NA	NA
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	Inhouse_PFEM	NA	NA
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR146	12-Keto-leukotriene B4	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR166	ProstaglandinA2(PGA2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR168	ProstaglandinB2(PGB2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR170	ProstaglandinC2(PGC2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR174	Prostaglandin-dJ2(PG-dJ2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR185	ProstaglandinJ2(PGJ2)	C20H30O4	334.21441	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01244	15-Keto-13,14-dihydroprostaglandin A2	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB02710	Prostaglandin J2	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB02752	Prostaglandin A2	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB04234	12-Keto-leukotriene B4	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB04236	Prostaglandin B2	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB04238	Delta-12-Prostaglandin J2	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB05073	Leukotriene B5	C20H30O4	334.214417	NA	HMDB2010	NA	NA
+HMDB04238	delta-12-Prostaglandin J2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB04238	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02752	Prostaglandin A2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB02752	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04238	delta-12-Prostaglandin J2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB04238	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04238	delta-12-Prostaglandin J2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB04238	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01244	15-keto-13,14-dihydroprostaglandin A2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB01244	HMDB	NA	NA
+HMDB02710	Prostaglandin J2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB02710	HMDB	NA	NA
+HMDB02752	Prostaglandin A2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB02752	HMDB	NA	NA
+HMDB04234	12-Keto-leukotriene B4	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB04234	HMDB	NA	NA
+HMDB04236	Prostaglandin B2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB04236	HMDB	NA	NA
+HMDB04238	delta-12-Prostaglandin J2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB04238	HMDB	NA	NA
+HMDB05073	Leukotriene B5	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB05073	HMDB	NA	NA
+HMDB02752	Prostaglandin A2	C20H30O4	334.21442	http://www.hmdb.ca/metabolites/HMDB02752	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01244	15-keto-13,14-dihydroprostaglandin A2	C20H30O4	334.21442	HMDB01244	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02710	Prostaglandin J2	C20H30O4	334.21442	HMDB02710	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02752	Prostaglandin A2	C20H30O4	334.21442	HMDB02752	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04234	12-Keto-leukotriene B4	C20H30O4	334.21442	HMDB04234	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04236	Prostaglandin B2	C20H30O4	334.21442	HMDB04236	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04238	delta-12-Prostaglandin J2	C20H30O4	334.21442	HMDB04238	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05073	Leukotriene B5	C20H30O4	334.21442	HMDB05073	PFEM_hmdb_metabocards_official	NA	NA
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR475	15ketoProstaglandinF2? F2	NA	334.216025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR475	15ketoProstaglandinF2? F2	NA	334.216025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR475	15ketoProstaglandinF2? F2	NA	334.216025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR475	15ketoProstaglandinF2? F2	NA	334.216025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR475	15ketoProstaglandinF2? F2	F2	334.216025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C17975	Fortimicin AP	C14H30N4O5	334.2216	NA	KEGG	NA	NA
+MJ037760	Antibiotic KA 7038IV 	C14H30N4O5	334.22162	NA	MeJP	NA	NA
+MJ037761	Fortimicin AP 	C14H30N4O5	334.22162	NA	MeJP	NA	NA
+MJ037762	Fortimicin KE 	C14H30N4O5	334.22162	NA	MeJP	NA	NA
+MJ037763	13-Hydroxylupanine; O-(2-Methylpropanoyl) 	C19H30N2O3	334.225642	NA	MeJP	NA	NA
+MJ037764	13-Hydroxylupanine; O-Butanoyl 	C19H30N2O3	334.225642	NA	MeJP	NA	NA
+MJ037765	Fenalamide 	C19H30N2O3	334.225642	NA	MeJP	NA	NA
+MJ037766	Diaminocaine 	C18H30N4O2	334.236876	NA	MeJP	NA	NA
+MJ037767	Emopamil 	C23H30N2	334.240898	NA	MeJP	NA	NA
+MetaCyc02937	emopamil []	C23H30N2	334.240899	NA	metacyc	NA	NA
+C13766	Emopamil	C23H30N2	334.2409	NA	KEGG	NA	NA
+HMDB12224	Emopamil	C23H30N2	334.240906	NA	HMDB2010	NA	NA
+MJ037768	2-[[(5-Diethylamino)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexylamino]ethanol 	C17H30N6O	334.248109	NA	MeJP	NA	NA
+HMDB00879	Tetrahydrodeoxycorticosterone	C21H34O3	334.25079	http://www.hmdb.ca/metabolites/HMDB00879	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00879	Tetrahydrodeoxycorticosterone	C21H34O3	334.25079	http://www.hmdb.ca/metabolites/HMDB00879	HMDB	NA	NA
+HMDB00879	Tetrahydrodeoxycorticosterone	C21H34O3	334.25079	http://www.hmdb.ca/metabolites/HMDB00879	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00879	Tetrahydrodeoxycorticosterone	C21H34O3	334.25079	HMDB00879	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00879	Tetrahydrodeoxycorticosterone	C21H34O3	334.250793	NA	HMDB2010	NA	NA
+MJ037769	1,19-Dihydroxy-14-methyl-2,6,10,13-phytatetraen-12-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037770	1,3,7,11-Cembratetraen-15-ol, Me ether, 3?,4?:11?,12?-diepoxide 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037771	1,6,9,12,15,18-Heneicosahexaene, 6,7:12,13:15,16-Triepoxide,18,19-dihydro 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037772	1-(2,6-Dihydroxyphenyl)-1-tetradecanone; Mono-Me ether 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037773	1-Hydroxy-2,5,10-nonadecatrien-4-one, Ac 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037774	1-Hydroxy-2,5,12-nonadecatrien-4-one, Ac 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037775	1-Hydroxy-2,5,14-nonadecatrien-4-one, Ac 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037776	1-Hydroxy-2,6,10,14-phytatetraen-19-oic acid, Me ether 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037777	14-(3,4-Methylenedioxyphenyl)-2-tetradecanol 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037778	15-Hydroxy-17-nor-8-labden-7-one; 13?-form, Ac 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037779	16,17,19-Kauranetriol, 19-Aldehyde, 16-Me ether 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037780	16,19-Kauranediol, 19-Carboxylic acid, 16-Me ether 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037781	2,3-Dihydroxypregnan-16-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037782	2-Hydroxy-6-pentadecyl-1,4-benzoquinone 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037783	3,13-Clerodadiene-15,18-diol, 15-Carboxylic acid, Me ester 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037784	3,15-Dihydroxypregnan-20-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037785	3,16-Dihydroxypregnan-20-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037786	3,17-Dihydroxypregnan-20-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037787	3,20-Dihydroxypregnan-11-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037788	3,21-Dihydroxypregnan-20-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037789	3,6-Dihydroxypregnan-20-one 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037790	3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037791	3-(7-Hexadecenyl)-4-hydroxy-5-methylene-2(5H)-furanone 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037792	3-(7-Hexadecenyl)-4-methyl-2,5-furandione 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037793	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 15',16'-Didehydro 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037794	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8'-Didehydro(Z-) 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037795	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 15',16'-Didehydro 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037796	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8'-Didehydro(Z-) 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037797	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 11',12'-Didehydro (Z-) 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037798	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone, 7',8'-Didehydro 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037799	5(10)-Halimene-3,15-diol, 3-Ketone, 15-carboxylic acid, Me ester 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037800	5-Hexadecyl-5-methoxy-2(5H)-furanone; 12',13',14',15'-Tetradehydro (E,E-) 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037801	5-Hydroxy-3,14-viscidadien-19-oic acid; Me ester 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037802	5-Pentadecyl-1,3-benzenediol; 2'-Oxo 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037803	8(17),13-Labdadiene-15,18-diol, 15-Carboxylic acid, Me ester 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037804	8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, Me ester 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037805	8(17)-Labdene-15,19-diol, 19-Aldehyde, 15-formyl 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037806	8,13-Epoxy-14-labden-3-ol, Formyl 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037807	Dictyopyrone B 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037808	Paradol; [10]Paradol 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037809	Pectinatone 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037810	Plakortone B 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037811	Pregn-6-ene-3,17,20-triol 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037812	Pregn-9(11)-ene-3,6,20-triol 	C21H34O3	334.250794	NA	MeJP	NA	NA
+MJ037813	Pregnane-3,16,20-triol, 16-Ketone 	C21H34O3	334.250794	NA	MeJP	NA	NA
+C13713	Allotetrahydrodeoxycorticosterone	C21H34O3	334.2508	NA	KEGG	NA	NA
+C14608	3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one	C21H34O3	334.2508	NA	KEGG	NA	NA
+C14609	3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one	C21H34O3	334.2508	NA	KEGG	NA	NA
+C14978	17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one	C21H34O3	334.2508	NA	KEGG	NA	NA
+C15137	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-	C21H34O3	334.2508	NA	KEGG	NA	NA
+C15139	D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate	C21H34O3	334.2508	NA	KEGG	NA	NA
+C15391	3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one	C21H34O3	334.2508	NA	KEGG	NA	NA
+MJ037814	18-Fluoro-9,10-dihydroxyoctadecanoic acid 	C18H35FO4	334.251937	NA	MeJP	NA	NA
+MJ037815	Bahamamide 	C20H34N2O2	334.262028	NA	MeJP	NA	NA
+MJ037816	7,9,12,15,17-Pentaoxatricosane 	C18H38O5	334.271924	NA	MeJP	NA	NA
+HMDB02823	Docosatrienoic acid	C22H38O2	334.28717	http://www.hmdb.ca/metabolites/HMDB02823	HMDB	NA	NA
+HMDB02823	Docosatrienoic acid	C22H38O2	334.28717	HMDB02823	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02823	Docosatrienoic acid	C22H38O2	334.28717	NA	HMDB2010	NA	NA
+MJ037817	10,10-Dimethyl-5,8,11-eicosatrienoic acid 	C22H38O2	334.28718	NA	MeJP	NA	NA
+MJ037818	13,16,19-Docosatrienoic acid 	C22H38O2	334.28718	NA	MeJP	NA	NA
+MJ037819	2-Methyl-5-pentadecyl-1,3-benzenediol 	C22H38O2	334.28718	NA	MeJP	NA	NA
+MJ037820	6,10,14-Phytatrien-1-ol, Ac 	C22H38O2	334.28718	NA	MeJP	NA	NA
+MJ037821	7,10,13-Docosatrienoic acid 	C22H38O2	334.28718	NA	MeJP	NA	NA
+MJ037822	7,7-Dimethyl-5,8,11-eicosatrienoic acid 	C22H38O2	334.28718	NA	MeJP	NA	NA
+C16534	13,16,19-Docosatrienoic acid	C22H38O2	334.2872	NA	KEGG	NA	NA
+MJ037823	Xestamine D 	C21H38N2O	334.298413	NA	MeJP	NA	NA
+MJ037824	14-Methyl-4-docosen-1-yn-3-ol 	C23H42O	334.323565	NA	MeJP	NA	NA
+2716	erythromycin inhibitor	MFLLF	334.6722	MH2+	Inhouse_peptide	NA	peptide
+MJ037825	2-(3,5-Dibromo-4-hydroxyphenyl)ethylamine; N,N,N-Tri-Me 	C11H16Br2NO(+)	334.952039	NA	MeJP	NA	NA
+MJ037826	Tizolemide 	C11H14ClN3O3S2	335.01651	NA	MeJP	NA	NA
+MJ037827	Nicotinic acid mononucleotide 	C11H14NO9P	335.040617	NA	MeJP	NA	NA
+MJ037828	Isoxicam 	C14H13N3O5S	335.057591	NA	MeJP	NA	NA
+MJ037829	Sulfanitran 	C14H13N3O5S	335.057591	NA	MeJP	NA	NA
+HMDB06824	Dihydroneopterin phosphate	C9H14N5O7P	335.06308	http://www.hmdb.ca/metabolites/HMDB06824	HMDB	NA	NA
+HMDB06824	Dihydroneopterin phosphate	C9H14N5O7P	335.06308	HMDB06824	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06824	Dihydroneopterin phosphate	C9H14N5O7P	335.06308	NA	HMDB2010	NA	NA
+MetaCyc02938	dihydroneopterin phosphate [Dihydroneopterin monophosphate;dihydroneopterin-p;2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate;]	C9H14N5O7P1	335.063084	NA	metacyc	NA	NA
+C05925	Dihydroneopterin phosphate	C9H14N5O7P	335.0631	NA	KEGG	NA	NA
+MJ037830	Salfredin C1; N-(Carboxymethyl) 	C15H13NO8	335.064116	NA	MeJP	NA	NA
+MetaCyc02939	nicotinamide mononucleotide [&beta;-nicotinamide D-ribonucleotide;nicotinamide ribonucleotide;nicotinamide nucleotide;NMN;nicotinamide D-ribonucleotide;]	C11H16N2O8P1	335.064427	1094-61-7	metacyc	NA	NA
+MJ037831	Sulfachrysoidine 	C13H13N5O4S	335.068824	NA	MeJP	NA	NA
+MJ037832	Discorhabdin D 	C18H14N3O2S(+)	335.072847	NA	MeJP	NA	NA
+MJ037833	N-[4-Chloro-3-[(3-methyl-2-butenyl)oxy]phenyl]-2-methyl-3-furancarbothioamide 	C17H18ClNO2S	335.074677	NA	MeJP	NA	NA
+HMDB01550	S-Formylglutathione	C11H17N3O7S	335.0787	http://www.hmdb.ca/metabolites/HMDB01550	HMDB	NA	NA
+C01031	S-Formylglutathione	C11H17N3O7S	335.0787	NA	KEGG	NA	NA
+C01032	alpha-L-Arabinoside	C5H9O5R	335.0787	NA	KEGG	NA	NA
+HMDB01550	S-Formylglutathione	C11H17N3O7S	335.0787	HMDB01550	PFEM_hmdb_metabocards_official	NA	NA
+MJ037834	S-Formylglutathione 	C11H17N3O7S	335.07872	NA	MeJP	NA	NA
+MetaCyc02940	S-formylglutathione []	C11H17N3O7S1	335.078721	NA	metacyc	NA	NA
+HMDB01550	S-Formylglutathione	C11H17N3O7S	335.078735	NA	HMDB2010	NA	NA
+MJ037835	7-Formyldehydroovigerine 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037836	Dicentrinone 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037837	Luguine 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037838	Mollisine 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037839	Nandazurine 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037840	Ovigerine, 6a,7-Didehydro, N-formyl 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037841	Oxobuxifoline 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037842	Oxocrebanine 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037843	Oxonantenine 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037844	Oxoputerine; 3-Methoxy 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037845	Oxysanguinarine; 5,6-Dihydro, N-de-Me 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037846	Stylopine, 13,14-Didehydro, 8-oxo 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037847	Tuberosinone; N,O-Di-Me 	C19H13NO5	335.079372	NA	MeJP	NA	NA
+MJ037848	Pseudocoptisine; 8-Hydroxy 	C19H14NO5(+)	335.079372	NA	MeJP	NA	NA
+C09575	(+)-Luguine	C19H13NO5	335.0794	NA	KEGG	NA	NA
+MJ037849	1-(4-Methylphenylsulfonyl)-2-(4-nitrophenyl)ethylene, 1,2-Dihydro, 2-methoxy 	C16H17NO5S	335.082743	NA	MeJP	NA	NA
+MJ037850	Sulotroban 	C16H17NO5S	335.082743	NA	MeJP	NA	NA
+MJ037851	Clanfenur 	C16H15ClFN3O2	335.083682	NA	MeJP	NA	NA
+MJ037852	?-Amino-5-(phosphonomethyl)-[1,1'-biphenyl]-3-propanoic acid 	C16H18NO5P	335.092259	NA	MeJP	NA	NA
+MJ037853	Pirifibrate 	C17H18ClNO4	335.092435	NA	MeJP	NA	NA
+PJ000365	SDD 	C11H17N3O9	335.0965	NA	PeJP	NA	NA
+3978	ACE inhibitor	CMENSA	335.09715	MH2+	Inhouse_peptide	NA	peptide
+MJ037854	Stylotellane A; ?3(13)-Isomer, 2?-chloro 	C16H24Cl3N	335.097432	NA	MeJP	NA	NA
+MJ037855	Salfredin C1; 5-Deoxo, N-(1-carboxyethyl) 	C16H17NO7	335.100501	NA	MeJP	NA	NA
+MJ037856	Cebaracetam 	C16H18ClN3O3	335.103669	NA	MeJP	NA	NA
+C14343	Trifluralin	C13H16F3N3O4	335.1093	NA	KEGG	NA	NA
+PJ000366	GEM 	C12H21N3O6S	335.1151	NA	PeJP	NA	NA
+MJ037857	Homoglutathione; L-L-form, S-Me 	C12H21N3O6S	335.115106	NA	MeJP	NA	NA
+MJ037858	Berberilycine 	C20H17NO4	335.115758	NA	MeJP	NA	NA
+MJ037859	Duguenaine; 11-Methoxy 	C20H17NO4	335.115758	NA	MeJP	NA	NA
+MJ037860	Berberine 	C20H18NO4(+)	335.115758	NA	MeJP	NA	NA
+MJ037861	Dehydroapocavidine 	C20H18NO4(+)	335.115758	NA	MeJP	NA	NA
+MJ037862	Groenlandicine; Me ether 	C20H18NO4(+)	335.115758	NA	MeJP	NA	NA
+MJ037863	Pseudoberberine 	C20H18NO4(+)	335.115758	NA	MeJP	NA	NA
+MJ037864	Spiromustine 	C14H23Cl2N3O2	335.116732	NA	MeJP	NA	NA
+MJ037865	Anisessine; Me ester analogue 	C19H17N3O3	335.126991	NA	MeJP	NA	NA
+MJ037866	Wuchuyuamide I; 3-Deoxy 	C19H17N3O3	335.126991	NA	MeJP	NA	NA
+MJ037867	Ramixotidine 	C16H21N3O3S	335.130362	NA	MeJP	NA	NA
+PJ000367	MW 	C16H21N3O3S	335.1304	NA	PeJP	NA	NA
+MJ037868	N-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl]-L-asparagine 	C12H21N3O8	335.132864	NA	MeJP	NA	NA
+MetaCyc02941	N4-(&beta;-N-acetyl-D-glucosaminyl)-L-asparagine [1-&beta;-aspartyl-N-acetyl-D-glucosaminylamine;N4-(acetyl-&beta;-D-glucosaminyl)asparagine;N4-(&beta;-N-acetyl-D-glucosaminyl)-L-asparagine;]	C12H21N3O8	335.132865	NA	metacyc	NA	NA
+HMDB00489	Aspartylglycosamine	C12H21N3O8	335.13287	http://www.hmdb.ca/metabolites/HMDB00489	HMDB	NA	NA
+HMDB00489	Aspartylglycosamine	C12H21N3O8	335.13287	HMDB00489	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00489	Aspartylglycosamine	C12H21N3O8	335.132874	NA	HMDB2010	NA	NA
+C04540	N4-(Acetyl-beta-D-glucosaminyl)asparagine	C12H21N3O8	335.1329	NA	KEGG	NA	NA
+PJ000368	STE 	C12H21N3O8	335.1329	NA	PeJP	NA	NA
+MJ037869	Araliopsinine 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037870	Crinisine 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037871	Eremofortin C; 12-Carboxamide 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037872	Myrtopsine; 7,8-Dimethoxy 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037873	Orixine 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037874	Petomine 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037875	Piplartine; 3,4-Epoxide, 8,9-dihydro 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037876	Pteleprenine; 3',4'-Dihydro, 2'?,3'-dihydroxy 	C17H21NO6	335.136887	NA	MeJP	NA	NA
+MJ037877	Panadiplon 	C18H17N5O2	335.138224	NA	MeJP	NA	NA
+MetaCyc02942	&alpha;-cyclopiazonate []	C20H19N2O3	335.139567	18172-33-3	metacyc	NA	NA
+PJ000369	GPY 	C16H21N3O5	335.1481	NA	PeJP	NA	NA
+MJ037878	Boxidine 	C19H20F3NO	335.149698	NA	MeJP	NA	NA
+4003	NA	FFGLMG	335.1512	MH2+	Inhouse_peptide	NA	peptide
+PJ000370	SVM 	C13H25N3O5S	335.1515	NA	PeJP	NA	NA
+MJ037879	Antibiotic LC 1202 	C14H25NO8	335.158016	NA	MeJP	NA	NA
+MJ037880	Validoxylamine B; 6-Deoxy 	C14H25NO8	335.158016	NA	MeJP	NA	NA
+MetaCyc02943	validoxylamine A []	C14H25N1O8	335.158017	NA	metacyc	NA	NA
+MJ037881	Adenosine; 6N-Cyclopentyl 	C15H21N5O4	335.159354	NA	MeJP	NA	NA
+MJ037882	N-(3-Methyl-2-butenyl)adenosine 	C15H21N5O4	335.159354	NA	MeJP	NA	NA
+MJ037883	Zeatin, 9-(2-Deoxy-?-D-ribofuranosyl) 	C15H21N5O4	335.159354	NA	MeJP	NA	NA
+MetaCyc02944	isopentenyl adenosine [iPA;]	C15H21N5O4	335.159354	NA	metacyc	NA	NA
+C16427	Isopentenyl adenosine	C15H21N5O4	335.1594	NA	KEGG	NA	NA
+MJ037884	Almazole A, Deformyl 	C20H21N3O2	335.163376	NA	MeJP	NA	NA
+MJ037885	Aniflorine; Deoxy 	C20H21N3O2	335.163376	NA	MeJP	NA	NA
+MJ037886	Anisotine; Deoxo 	C20H21N3O2	335.163376	NA	MeJP	NA	NA
+3358	ACE inhibitor	YALPHA	335.1655	MH2+	Inhouse_peptide	NA	peptide
+C07792	Naratriptan	C17H25N3O2S	335.1667	NA	KEGG	NA	NA
+C07793	Transferred to D00674	C17H25N3O2S	335.1667	NA	KEGG	NA	NA
+C07794	Transferred to D00675	C17H25N3O2S	335.1667	NA	KEGG	NA	NA
+C07795	Transferred to D00676	C17H25N3O2S	335.1667	NA	KEGG	NA	NA
+C07796	Transferred to D00677	C17H25N3O2S	335.1667	NA	KEGG	NA	NA
+C07797	Transferred to D00678	C17H25N3O2S	335.1667	NA	KEGG	NA	NA
+MJ037887	Almotriptan 	C17H25N3O2S	335.166747	NA	MeJP	NA	NA
+MJ037888	Naratriptan 	C17H25N3O2S	335.166747	NA	MeJP	NA	NA
+2737	regulating phosphoinositole mechanism peptide	GFL	335.173	antibacterial	Inhouse_peptide	NA	peptide
+2740	regulating phosphoinositole mechanism peptide	GLF	335.173	antibacterial	Inhouse_peptide	NA	peptide
+3061	fragment of human b-casein fr: 60-62	GFL	335.173	celiac toxic	Inhouse_peptide	NA	peptide
+3472	alpha-lactorphin	GLF	335.173	ACE inhibitor	Inhouse_peptide	NA	peptide
+7639	ACE inhibitor from tuna muscles	IFG	335.173	antioxidative	Inhouse_peptide	NA	peptide
+MJ037889	Senecionine 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037890	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7-(4-Hydroxy-3-methyl-2Z-butenoyl), O9-angeloyl 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037891	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7,O9-Diangeloyl, N-oxide 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037892	Bulgarsenine; 1,2-Didehydro 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037893	Convolvine; 5'-Methoxy, N-Me 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037894	Cruentine A 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037895	Gynura Alkaloid C18H25NO5 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037896	Haplophyllidine; 2',3'-Dihydro, 3'-hydroxy 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037897	Havanine 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037898	Nemorensine; 11,14-Diepimer, 1,2-didehydro 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037899	Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 2'',3''-Dideoxy, 2'',3''-didehydro (Z-) 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037900	Senecionine 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037901	Senecivernine 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037902	Stemotinine 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+MJ037903	Triangularine 	C18H25NO5	335.173272	NA	MeJP	NA	NA
+C06176	Senecionine	C18H25NO5	335.1733	NA	KEGG	NA	NA
+C10328	Integerrimine	C18H25NO5	335.1733	NA	KEGG	NA	NA
+C10393	Senecivernine	C18H25NO5	335.1733	NA	KEGG	NA	NA
+C10410	Triangularine	C18H25NO5	335.1733	NA	KEGG	NA	NA
+C07043	Hydroxychloroquine	C18H26ClN3O	335.1764	NA	KEGG	NA	NA
+MJ037904	Hydroxychloroquine 	C18H26ClN3O	335.17644	NA	MeJP	NA	NA
+PJ000371	GLF 	C17H25N3O4	335.1845	NA	PeJP	NA	NA
+C10157	Lobelanine	C22H25NO2	335.1885	NA	KEGG	NA	NA
+MJ037905	1-(4,4-Diphenyl-3-butenyl)-3-piperidinecarboxylic acid 	C22H25NO2	335.188529	NA	MeJP	NA	NA
+MJ037906	2-Benzyl-3-tropanol, Benzoyl 	C22H25NO2	335.188529	NA	MeJP	NA	NA
+MJ037907	?-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol 	C22H25NO2	335.188529	NA	MeJP	NA	NA
+MJ037908	Lobelanidine, Diketone 	C22H25NO2	335.188529	NA	MeJP	NA	NA
+MJ037909	N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide, 2'-Deoxy, 4''-O-(3-methyl-2-butenyl) 	C22H25NO2	335.188529	NA	MeJP	NA	NA
+MJ037910	Napitane 	C22H25NO2	335.188529	NA	MeJP	NA	NA
+MJ037911	Ambasilide 	C21H25N3O	335.199762	NA	MeJP	NA	NA
+MJ037912	Ontazolast 	C21H25N3O	335.199762	NA	MeJP	NA	NA
+2583	tenecin-1 (34-42)	CNGKRVCVC~	335.20545	MH2+	Inhouse_peptide	NA	peptide
+MJ037913	Fortimicin AK 	C14H29N3O6	335.205635	NA	MeJP	NA	NA
+MJ037914	Ankorine 	C19H29NO4	335.209658	NA	MeJP	NA	NA
+MJ037915	Dendrine 	C19H29NO4	335.209658	NA	MeJP	NA	NA
+MJ037916	Lamorolid 	C19H29NO4	335.209658	NA	MeJP	NA	NA
+MJ037917	Perfomedil 	C19H29NO4	335.209658	NA	MeJP	NA	NA
+C09337	Ankorine	C19H29NO4	335.2097	NA	KEGG	NA	NA
+MJ037918	6-Propyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline 	C20H25N5	335.210995	NA	MeJP	NA	NA
+MJ037919	Trimethyltetradecylammonium(1+); Bromide 	C17H38BrN	335.218762	NA	MeJP	NA	NA
+C11279	Cetrimide	C17H38N	335.2188	NA	KEGG	NA	NA
+MJ037920	?-(2-Hydroxy-4-oxodecanoyl)histidine; N3-Ac, N8-Me, 10-deoxy 	C18H29N3O3	335.220891	NA	MeJP	NA	NA
+MJ037921	3-Greenwayodendrinol; 3?-form, 3-Ketone 	C23H29NO	335.224914	NA	MeJP	NA	NA
+MJ037922	4,4-Diphenyl-6-(1-piperidinyl)-3-hexanone 	C23H29NO	335.224914	NA	MeJP	NA	NA
+MJ037923	Polyavolensinol; Ketone 	C23H29NO	335.224914	NA	MeJP	NA	NA
+MJ037924	7-[5-(1-Octenyl)-2-oxa-3-azabicyclo[2.2.1]hept-6-yl]-5-heptenoic acid 	C20H33NO3	335.246043	NA	MeJP	NA	NA
+MJ037925	7-[6-(1-Octenyl)-2-oxa-3-azabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid 	C20H33NO3	335.246043	NA	MeJP	NA	NA
+MJ037926	Ganglefene 	C20H33NO3	335.246043	NA	MeJP	NA	NA
+MJ037927	Lepadin B; O-(Hydroxyacetyl) 	C20H33NO3	335.246043	NA	MeJP	NA	NA
+MJ037928	Neovasipyridone; N-(2-Methylpropyl) 	C20H33NO3	335.246043	NA	MeJP	NA	NA
+MJ037929	Oxeladin 	C20H33NO3	335.246043	NA	MeJP	NA	NA
+MJ037930	Loesenerine; 17,18Z-Didehydro 	C19H33N3O2	335.257277	NA	MeJP	NA	NA
+MJ037931	Droprenilamine 	C24H33N	335.2613	NA	MeJP	NA	NA
+MJ037932	20-Aminopregnane-3,4-diol 	C21H37NO2	335.282429	NA	MeJP	NA	NA
+MJ037933	2,4-Octadecadienoic acid, 2-Methylpropylamide 	C22H41NO	335.318814	NA	MeJP	NA	NA
+MJ037934	Pyrrolidine; N-(2-Octadecenoyl)(E) 	C22H41NO	335.318814	NA	MeJP	NA	NA
+MJ037935	Pyrrolidine; N-(9-Octadecenoyl) 	C22H41NO	335.318814	NA	MeJP	NA	NA
+MJ037936	2-Methyl-6-(8-heptadecenyl)piperidine 	C23H45N	335.3552	NA	MeJP	NA	NA
+3367	ACE inhibitor	GKKVLQ	335.7095	MH2+	Inhouse_peptide	NA	peptide
+26	Hemoglobin	GKKVLQ	335.711	MH2+	Inhouse_peptide	NA	peptide
+MJ037937	3-(3,5-Dibromo-4-hydroxyphenyl)-2-oxopropanoic acid 	C9H6Br2O4	335.863283	NA	MeJP	NA	NA
+C04285	3,5-Dibromo-4-hydroxyphenylpyruvate	C9H6Br2O4	335.8633	NA	KEGG	NA	NA
+HMDB04122	Selenocystine	C6H12N2O4Se2	335.91275	http://www.hmdb.ca/metabolites/HMDB04122	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04122	Selenocystine	C6H12N2O4Se2	335.91275	http://www.hmdb.ca/metabolites/HMDB04122	HMDB	NA	NA
+HMDB04122	Selenocystine	C6H12N2O4Se2	335.91275	NA  ;SYN:(+)-Pipecolic acid; (+)-Pipecolinic acid; (2R)-2-Piperidinecarboxylic acid; (2R)-piperidine-2-carboxylic acid; (R)-()-2-Piperidinecarboxylic acid; (R)-(+)-Pipecolic acid; (R)-2-Piperidinecarboxylic acid; (R)-Pipecolic acid; (R)-Pipecolinic acid; (R)-Piperidine-2-carboxylic acid; 6-Carboxypiperidine; D-(+)- Pipecolic acid; D-(+)-Pipecolic acid; D-Homoproline; D-Pipecolic acid; D-Pipecolinic acid; D-Piperidine-2-carboxylic acidH2Blood	Inhouse_peptide	NA	peptide
+MJ037938	Selenocystine 	C6H12N2O4Se2	335.91275	NA	MeJP	NA	NA
+HMDB04122	Selenocystine	C6H12N2O4Se2	335.91275	http://www.hmdb.ca/metabolites/HMDB04122	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04122	Selenocystine	C6H12N2O4Se2	335.91275	HMDB04122	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04122	Selenocystine	C6H12N2O4Se2	335.91275	NA	HMDB2010	NA	NA
+C05704	Selenocystine	C6H12N2O4Se2	335.9128	NA	KEGG	NA	NA
+MJ037939	1-Deoxy-1-(dimethylarsinoyl)ribitol; 5-O-Sulfate 	C7H17AsO8S	335.986009	NA	MeJP	NA	NA
+MJ037940	Trovirdine 	C13H13BrN4S	336.004429	NA	MeJP	NA	NA
+MJ037941	3-(3-Bromo-4-chloro-4-methylcyclohexyl)-4-oxo-2-pentenoic acid; Me ester 	C13H18BrClO3	336.012784	NA	MeJP	NA	NA
+MJ037942	1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo[f]quinoxaline-7-sulfonamide 	C12H8N4O6S	336.016454	NA	MeJP	NA	NA
+MJ037943	Nifurzide 	C12H8N4O6S	336.016454	NA	MeJP	NA	NA
+C13667	2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline	C12H8N4O6S	336.0165	NA	KEGG	NA	NA
+MJ037944	Homochloramphenicol 	C12H14Cl2N2O5	336.027976	NA	MeJP	NA	NA
+HMDB05797	Peonidin	C16H13ClO6	336.04007	NA	HMDB2010	NA	NA
+C07933	Dantrolene sodium anhydrous	C14H9N4O5	336.0471	NA	KEGG	NA	NA
+MJ037945	Benzpyrinium(1+); Bromide 	C15H17BrN2O2	336.04734	NA	MeJP	NA	NA
+C01185	Nicotinate D-ribonucleotide	C11H15NO9P	336.0484	NA	KEGG	NA	NA
+HMDB01132	Nicotinic acid mononucleotide	C11H15NO9P	336.04843	http://www.hmdb.ca/metabolites/HMDB01132	HMDB	NA	NA
+HMDB01132	Nicotinic acid mononucleotide	C11H15NO9P	336.04843	HMDB01132	PFEM_hmdb_metabocards_official	NA	NA
+MJ037946	Nicotinate D-ribonucleotide 	C11H15NO9P	336.048442	NA	MeJP	NA	NA
+MetaCyc02945	nicotinate nucleotide [nicotinate dinucleotide;&beta;-nicotinate-D-nucleotide;NaMN;nicotinic acid nucleotide;nicotinic acid mononucleotide;nicotinic acid ribonucleotide;nicotinate-D-ribonucleotide;nicotinate ribonucleotide;nicotinate mononucleotide;deamido-nicotinamide mononucleotide;deamido-NMN;&beta;-nicotinate D-ribonucleotide;]	C11H15N1O9P1	336.048443	321-02-8	metacyc	NA	NA
+CJpos0763	Uric acid [(2M+H)]+	C10H9N8O6	336.056175	C18rt(min)=1.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0763	Uric acid [(2M+H)]+	C10H9N8O6	336.056175	C18rt(min)=1.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0535	Uric acid [(2M-H)]-	C10H7N8O6	336.057225	C18rt(min)=1.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0536	Uric acid [(2M-H)]-	C10H7N8O6	336.057225	C18rt(min)=1.37 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0535	Uric acid [(2M-H)]-	C10H7N8O6	336.057225	C18rt(min)=1.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0536	Uric acid [(2M-H)]-	C10H7N8O6	336.057225	C18rt(min)=1.37 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C14350	2,2-Bis(4-hydroxyphenyl)hexafluoropropane	C15H10F6O2	336.0585	NA	KEGG	NA	NA
+FL1AUNNF0002	Derriobtusone B	C19H12O6	336.06338	61755-73-5	knapsack	NA	NA
+FL5F1CNF0001	Pongapin;3-Methoxy-2-[3,4-(methylenedioxy)phenyl]-4H-furo[2,3-h]-1-benzopyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-4H-furo[2,3-h]-1-benzopyran-4-one	C19H12O6	336.06338	481-99-2	knapsack	NA	NA
+FLIA1LNF0001	Dehydroneotenone	C19H12O6	336.06338	1242-81-5	knapsack	NA	NA
+FLIABCNF0002	Garhwalin	C19H12O6	336.06338	113023-68-0	knapsack	NA	NA
+FLIF1LNF0002	Dolineone;Dolichone	C19H12O6	336.06338	10065-28-8	knapsack	NA	NA
+FLIH1LNF0001	Pachyrrhizin;Neorautone	C19H12O6	336.06338	10091-01-7	knapsack	NA	NA
+MJ037947	Dicumarol 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037948	2-(3,4-Dihydroxyphenyl)-5-hydroxy-4H-furo[2,3-h]-1-benzopyran-4-one; 5-Me, 3',4'-methylene ether 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037949	Antibiotic WS 5995A 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037950	Bicoumol; 7-Me ether 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037951	Derriobtusone B 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037952	Dicoumarol 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037953	Dolineone 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037954	Gamatin 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037955	Garhwalin 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037956	Indanonaphthol B 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037957	Lasiocephalin 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037958	Neotenone, 2,3-Didehydro 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037959	Oreojasmin; 6-Demethoxy 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037960	Pachyrrhizin 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037961	Phlebiarubrone; 4',4''-Dihydroxy 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037962	Pongaglabrone; 5'-Methoxy 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037963	Pongapin 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MJ037964	Tetracenomycin D 	C19H12O6	336.063388	NA	MeJP	NA	NA
+MetaCyc02946	dicoumarol [dicoumarin;melitoxin;bis-hydroxycoumarin;dicumarol;dicoumarol;]	C19H12O6	336.063388	66-76-2	metacyc	NA	NA
+C00796	Dicumarol	C19H12O6	336.0634	NA	KEGG	NA	NA
+C12376	Tetracenomycin D1	C19H12O6	336.0634	NA	KEGG	NA	NA
+MJ037965	Cupalaurenol; Ac 	C17H21BrO2	336.072492	NA	MeJP	NA	NA
+MJ037966	Cyclolaurene; 7-Bromo, 10-acetoxy 	C17H21BrO2	336.072492	NA	MeJP	NA	NA
+HMDB04645	S-Nitrosoglutathione	C10H16N4O7S	336.07397	http://www.hmdb.ca/metabolites/HMDB04645	HMDB	NA	NA
+HMDB04645	S-Nitrosoglutathione	C10H16N4O7S	336.07397	HMDB04645	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04645	S-Nitrosoglutathione	C10H16N4O7S	336.073975	NA	HMDB2010	NA	NA
+JH069	Vanillic acid [2M+H]+	NA	336.0747	11.79	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH069	Vanillic acid [2M+H]+	NA	336.0747	11.79	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH069	Vanillic acid [2M+H]+	NA	336.0747	11.79	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH069	Vanillic acid [2M+H]+	NA	336.0747	11.79	Inhousejuil11	NA	NA
+MJ037967	Griseophenone Y 	C17H17ClO5	336.076451	NA	MeJP	NA	NA
+MJ037968	Flustramine C; 8,8a-Dihydro, N-Oxide 	C16H21BrN2O	336.083725	NA	MeJP	NA	NA
+MJ037969	Flustraminol A 	C16H21BrN2O	336.083725	NA	MeJP	NA	NA
+MJ037970	Flustraminol B 	C16H21BrN2O	336.083725	NA	MeJP	NA	NA
+JH222	Chlorogenic acid [M+H-H20]+	NA	336.084	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH222	Chlorogenic acid [M+H-H20]+	NA	336.084	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH222	Chlorogenic acid [M+H-H20]+	NA	336.084	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH222	Chlorogenic acid [M+H-H20]+	NA	336.084	11.5	Inhousejuil11	NA	NA
+C10296	Altersolanol A	C16H16O8	336.0845	NA	KEGG	NA	NA
+C10434	5-O-Caffeoylshikimic acid	C16H16O8	336.0845	NA	KEGG	NA	NA
+MJ037971	3-O-Caffeoylshikimic acid 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MJ037972	4-O-Caffeoylshikimic acid 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MJ037973	5-Hydroxy-1,4-naphthoquinone; O-?-D-Glucopyranoside 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MJ037974	5-O-Caffeoylshikimic acid 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MJ037975	Altersolanol A 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MJ037976	Bostrycin 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MJ037977	Flagranone C 	C16H16O8	336.084517	NA	MeJP	NA	NA
+MetaCyc02947	caffeoylshikimate []	C16H16O8	336.084517	NA	metacyc	NA	NA
+MJ037978	1-Bromo-6-chloro-4-eudesmanol 	C15H26BrClO	336.085555	NA	MeJP	NA	NA
+MJ037979	1-Bromo-7-eudesmen-4-ol, 7,8-Dihydro, 7?-chloro 	C15H26BrClO	336.085555	NA	MeJP	NA	NA
+MJ037980	Clonixin; 2,3-Dihydroxypropyl ester 	C16H17ClN2O4	336.087684	NA	MeJP	NA	NA
+C15389	4,4'-Stilbenedicarboxamidine dihydrochloride	C16H16N4	336.0909	NA	KEGG	NA	NA
+FL3FAANF0001	Ciliatin A;(+)-2,3-dihydro-4-hydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)-5H-Furo[3,2-g][1]benzopyran-5-one	C20H16O5	336.09977	539826-39-6	knapsack	NA	NA
+FL3FAANP0001	Atalantoflavone	C20H16O5	336.09977	119309-02-3	knapsack	NA	NA
+FL3FAANP0006	Yinyanghuo C;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C20H16O5	336.09977	149182-47-8	knapsack	NA	NA
+FL3FAANP0007	Carpachromene;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one;5,4'-Dihidroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavone	C20H16O5	336.09977	57498-96-1	knapsack	NA	NA
+FLIA1LNP0001	Glabrone	C20H16O5	336.09977	60008-02-8	knapsack	NA	NA
+FLIA1LNP0007	Puerarone;7,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone	C20H16O5	336.09977	116109-15-4	knapsack	NA	NA
+FLIAAANP0002	Alpinumisoflavone	C20H16O5	336.09977	34086-50-5	knapsack	NA	NA
+FLIAAANP0003	Derrone	C20H16O5	336.09977	76166-59-1	knapsack	NA	NA
+FLIAAANP0007	Isoderrone;5,7-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone	C20H16O5	336.09977	121747-89-5	knapsack	NA	NA
+FLIDHXNF0002	Clandestacarpin	C20H16O5	336.09977	79002-16-7	knapsack	NA	NA
+FLIE1ANI0001	Psoralidin;3,9-Dihydroxy-2-prenylcoumestan	C20H16O5	336.09977	18642-23-4	knapsack	NA	NA
+FLIE1ANI0003	Isosojagol	C20H16O5	336.09977	94390-15-5	knapsack	NA	NA
+FLIE1ANI0004	Phaseol;3,9-Dihydroxy-4-prenylcoumestan	C20H16O5	336.09977	88478-02-8	knapsack	NA	NA
+FLIE1ANP0001	Sojagol;Soyagol	C20H16O5	336.09977	18979-00-5	knapsack	NA	NA
+FLIE1ANP0003	Isopsoralidin;1,2-Dideoxycorylidin	C20H16O5	336.09977	3564-61-2	knapsack	NA	NA
+MJ037981	2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol, 3'-Methoxy, 3-ketone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037982	2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037983	Alpinumisoflavone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037984	Antibiotic SF 2609; Antibiotic SF 2609B 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037985	Atalantoflavone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037986	Brasiliquinone B 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037987	Carpachromene 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037988	Clandestacarpin 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037989	Corylidin; 1,2-Dideoxy 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037990	Derrone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037991	Fujianmycin A; 8-Me ether 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037992	Galyprenylin 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037993	Garciniaxanthone G 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037994	Glabrone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037995	Hatomarubigin C; 1-Ketone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037996	Hatomarubigin C; 11-Deoxy, 6-hydroxy, 1-ketone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037997	Isoderrone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037998	Isosojagol 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ037999	Kanzonol W 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038000	Palmarumycin CP1; 8-Hydroxy, 2,3-dihydro, 4?-alcohol 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038001	Palmarumycin CP4 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038002	Phaseol 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038003	Prehalenaquinone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038004	Psoralidin 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038005	Psorothamnone A 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038006	Puerarone 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038007	Rabelomycin; 6-Deoxy, 8-Me ether 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038008	Sanggenon R 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038009	Sojagol 	C20H16O5	336.099773	NA	MeJP	NA	NA
+MJ038010	Tilifodiolide 	C20H16O5	336.099773	NA	MeJP	NA	NA
+C10523	Psoralidin	C20H16O5	336.0998	NA	KEGG	NA	NA
+C10529	Sojagol	C20H16O5	336.0998	NA	KEGG	NA	NA
+PJ000372	SCQ 	C11H20N4O6S	336.1104	NA	PeJP	NA	NA
+MJ038011	5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 1-Benzoyl 	C19H16N2O4	336.111007	NA	MeJP	NA	NA
+MJ038012	Alangimarinone 	C19H16N2O4	336.111007	NA	MeJP	NA	NA
+MJ038013	Pancorinine 	C19H16N2O4	336.111007	NA	MeJP	NA	NA
+MJ038014	Cannabiorcichromenic acid; 8-Chloro 	C18H21ClO4	336.112836	NA	MeJP	NA	NA
+MJ038015	Mugineic acid; 3?-Hydroxy 	C12H20N2O9	336.11688	NA	MeJP	NA	NA
+C15501	3-Epihydroxymugineic acid	C12H20N2O9	336.1169	NA	KEGG	NA	NA
+MJ038016	1,10-Epoxy-3-hydroxy-4,11(13)-germacradiene-12,8:15,6-diolide, 11?,13-Dihydro, Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038017	1,15-Dihydroxy-9,11(13)-germacradiene-12,6:14,8-diolide, 1-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038018	1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 8-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038019	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide, 8-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038020	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 4-Hydroperoxide, 8-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038021	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 10-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038022	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038023	7-Hydroxy-6-[2-hydroxy-2-(tetrahydro-2-methyl-5-oxo-2-furyl)ethyl]-5-methoxy-4-methylphthalide 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038024	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ac 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038025	Ezomontanin 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038026	Fusarubin; 4a?,10a?-Dihydro, 3-Et ether 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038027	Fusarubin; 4a?,10a?-Dihydro, 3-Et ether 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038028	Fusarubin; 4a?,10a?-Dihydro, 3-Et ether 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038029	Micordilin 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038030	Oncocalyxonol 	C17H20O7	336.120902	NA	MeJP	NA	NA
+MJ038031	Phthalexin 	C17H20O7	336.120902	NA	MeJP	NA	NA
+HMDB03409	Berberine	C20H18NO4	336.12357	http://www.hmdb.ca/metabolites/HMDB03409	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03409	Berberine	C20H18NO4	336.12357	http://www.hmdb.ca/metabolites/HMDB03409	HMDB	NA	NA
+HMDB03409	Berberine	C20H18NO4	336.12357	http://www.hmdb.ca/metabolites/HMDB03409	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03409	Berberine	C20H18NO4	336.12357	HMDB03409	PFEM_hmdb_metabocards_official	NA	NA
+MJ038032	Berberine 	C20H18NO4	336.123583	NA	MeJP	NA	NA
+MetaCyc02948	berberine [umbellatine;]	C20H18N1O4	336.123583	2086-83-1	metacyc	NA	NA
+HMDB03409	Berberine	C20H18NO4	336.123596	NA	HMDB2010	NA	NA
+C00757	Berberine	C20H18NO4	336.1236	NA	KEGG	NA	NA
+PJ000373	GSSS 	C11H20N4O8	336.1281	NA	PeJP	NA	NA
+MJ038033	2-(4-Hydroxybenzyl)imidazole; O-?-D-Galactopyranoside 	C16H20N2O6	336.132136	NA	MeJP	NA	NA
+FL1C1ANP0004	4-Methoxylonchocarpin	C21H20O4	336.13615	51589-67-4	knapsack	NA	NA
+FL1CA9NF0003	Crassichalcone;5''-Isopropenyl-4'',5''-dihydrofurano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone	C21H20O4	336.13615	260437-87-4	knapsack	NA	NA
+FL1CA9NP0002	Oaxacacin	C21H20O4	336.13615	88509-90-4	knapsack	NA	NA
+FL1CA9NP0004	Pongachalcone I	C21H20O4	336.13615	41724-53-2<BR>51703-76-5	knapsack	NA	NA
+FL1CA9NP0006	2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone	C21H20O4	336.13615	20890-68-0	knapsack	NA	NA
+FL1CA9NP0011	Cedreprenone;(2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one	C21H20O4	336.13615	554408-31-0	knapsack	NA	NA
+FL1CHYNP0002	6'-Demethoxypraecansone B	C21H20O4	336.13615	93753-26-5	knapsack	NA	NA
+FL1CRTNP0003	Licoagrochalcone B;6'',6''-Dimethylpyrano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone	C21H20O4	336.13615	325144-67-0	knapsack	NA	NA
+FL2F1ANP0007	Dorspoinsettifolin;4'-Methoxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone	C21H20O4	336.13615	236753-59-6	knapsack	NA	NA
+FL2F29NP0001	Ovalichromene	C21H20O4	336.13615	61670-30-2	knapsack	NA	NA
+FL2FA9NF0001	Emoroidenone;5-Methoxy-5''-[2'',3'':7,8]-isopropenyldihydrofuranoflavanone	C21H20O4	336.13615	169532-89-2	knapsack	NA	NA
+FL2FA9NI0020	Tephroleocarpin B	C21H20O4	336.13615	138590-94-0	knapsack	NA	NA
+FL2FA9NP0001	Obovatin methyl ether	C21H20O4	336.13615	69640-78-4	knapsack	NA	NA
+FL3F19NI0001	Lanceolatin A(flavonoid)	C21H20O4	336.13615	41689-78-5	knapsack	NA	NA
+FLIA1ANI0002	Durlettone	C21H20O4	336.13615	60270-41-9	knapsack	NA	NA
+FLIA1ANI0003	Maximaisoflavone J;7-Prenyloxy-4'-methoxyisoflavone	C21H20O4	336.13615	16277-87-5	knapsack	NA	NA
+FLID1ANP0003	Hemileiocarpin	C21H20O4	336.13615	66446-92-2	knapsack	NA	NA
+MJ038034	1-(5,7-Dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038035	2,2,12-Trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9,11-triol; 11-Me ether 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038036	2,3-Dihydro-5-hydroxy-6,8,8-trimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038037	4',7-Dihydroxy-3'-prenylisoflavone; 4'-Me ether 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038038	4',7-Dihydroxyisoflavone; 7-Me ether, 4'-O-(3-methyl-2-butenyl) 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038039	5,7-Dihydroxy-8-prenylflavone; 7-Me ether 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038040	7-Hydroxy-4'-methoxyisoflavone; 7-O-(3-Methyl-2-butenyl) 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038041	8-(3-Phenyl-1-oxo-2-propenyl)-5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038042	Bergamottin; ?5'-Isomer, 7',8'-didehydro 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038043	Bungone B 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038044	Crassichalcone 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038045	Curcumin III 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038046	Danshenol A 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038047	Danshenxinkun D 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038048	Isobavachromene; 4''-Me ether 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038049	Isolonchocarpin, 6-Methoxy 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038050	Isolonchocarpin, 4'-Methoxy 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038051	Lanceolatin A 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038052	Licoagrochalcone B 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038053	Obovatin, Me ether 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038054	Ovalichromene 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038055	Pongachalcone I 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038056	Purpurenone 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038057	Shinpterocarpin, Me ether 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038058	Tephroleocarpin B 	C21H20O4	336.136159	NA	MeJP	NA	NA
+MJ038059	Tetradehydroisogalcatin 	C21H20O4	336.136159	NA	MeJP	NA	NA
+C02590	Steroid O-sulfate	C18H24O4S	336.1395	NA	KEGG	NA	NA
+MetaCyc02949	steroid O sulfate [phenolic steroid O-sulfate;]	C18H24O4S1	336.13953	NA	metacyc	NA	NA
+PJ000374	GNF 	C15H20N4O5	336.1434	NA	PeJP	NA	NA
+PJ000375	SCK 	C12H24N4O5S	336.1468	NA	PeJP	NA	NA
+MJ038060	3-p-Anisylidene-6-benzylidene-2,5-piperazinedione, 6,7-Dihydro, N4-Me 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038061	Denpidazone 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038062	Elliptinium(1+); Acetate 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038063	Gelsemine; 21-Oxo 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038064	Magniflorine 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038065	Mappicine, 9-Methoxy 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038066	Naucleidinal 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038067	Schizozygine 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038068	Strictine 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038069	Tronocarpine 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+MJ038070	Tryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl) 	C20H20N2O3	336.147392	NA	MeJP	NA	NA
+C03032	alpha-Cyclopiazonate	C20H20N2O3	336.1474	NA	KEGG	NA	NA
+C03033	beta-D-Glucuronoside	C6H9O7R	336.1474	NA	KEGG	NA	NA
+7865	peptide from Alaska pollack frame protein (Theragra chalcogramma)	LPHSGY	336.155	MH2+	Inhouse_peptide	NA	peptide
+MJ038071	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Propanoyl 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038072	15-Hydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, Me ester, Ac 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038073	3-Ethoxy-5-hydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-1(3H)-isobenzofuranone; O5-(3-Methyl-2-butenyl) 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038074	4,8,10-Trihydroxy-6,11(13)-guaiadien-12,6-olide, 10-Me ether, 8-Ac 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038075	5-Acetyl-2-(2-hydroxyisopropyl)-7-prenylbenzofuran; 2'',3''-Dihydro, 1'',2'',3''-trihydroxy 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038076	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 3'-O-(1-hydroxyisopropyl) 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038077	Epoxyconiferyl alcohol; 1,4'-Bis-O-(2-methylpropanoyl) 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038078	Fleuryilactone 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038079	Illudacetalic acid 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038080	Mexoticin, 3'-Et ether 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038081	Sessiliflorene 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038082	Sessiliflorol A 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038083	Sessiliflorol B 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038084	Tetrodecamycin; 4?,5-Dihydro 	C18H24O6	336.157288	NA	MeJP	NA	NA
+MJ038085	Nuvenzepine 	C19H20N4O2	336.158625	NA	MeJP	NA	NA
+MJ038086	Rispenzepine 	C19H20N4O2	336.158625	NA	MeJP	NA	NA
+3720	NA	WWPKG	336.1625	MH2+	Inhouse_peptide	NA	peptide
+MJ038087	N-Carboxymethylphenylalanylleucine 	C17H24N2O5	336.168521	NA	MeJP	NA	NA
+MJ038088	1,16-Diisothiocyanato-1,15-hexadecadiene 	C18H28N2S2	336.16939	NA	MeJP	NA	NA
+FL6FWXNI0001	Tephrowatsin B	C22H24O3	336.17254	97640-80-7	knapsack	NA	NA
+MJ038089	21-Oxo-3,5,7,9,11,13,15,17,19-docosanonaenoic acid 	C22H24O3	336.172544	NA	MeJP	NA	NA
+MJ038090	5,7-Dihydroxy-8-prenyl-3-flavene, Di-Me ether 	C22H24O3	336.172544	NA	MeJP	NA	NA
+MJ038091	Asperrubrol 	C22H24O3	336.172544	NA	MeJP	NA	NA
+CJpos0764	Lysine [(2M-H)+2Na]+	C12H27O4N4Na2	336.174375	C18rt(min)=0.8 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0764	Lysine [(2M-H)+2Na]+	C12H27O4N4Na2	336.174375	C18rt(min)=0.8 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ038092	2-Hydroxy-7(11)-eremophilen-8-one, O-(3-Methylthio-2Z-propenoyl) 	C19H28O3S	336.175915	NA	MeJP	NA	NA
+MJ038093	6-Deoxy-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-D-ribo-hexose; ?-D-Pyranose-form, Me glycoside, 3,3'-di-Me 	C15H28O8	336.178417	NA	MeJP	NA	NA
+MJ038094	Pachybiose; ?-Pyranose-form, Me glycoside 	C15H28O8	336.178417	NA	MeJP	NA	NA
+MJ038095	Antibiotic SF 2768 	C16H24N4O4	336.179755	NA	MeJP	NA	NA
+MJ038096	1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038097	?-Tabersonine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038098	Alstonerine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038099	Apovincamine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038100	Caracurine IV 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038101	Caracurine VII; Deoxy, Na-Ac 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038102	Catharanthine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038103	Coronaridine, 5,6-Didehydro 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038104	Isostrychnine; 19,20-Dihydro 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038105	Kopsanol; Na-Formyl 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038106	Pericyclivine; 16-Epimer, N1-Me 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038107	Pericyclivine; N1-Me 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038108	Purpeline 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038109	Rauflorine; 11-Methoxy, N-Me 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038110	Retulinal 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038111	Tabersonine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038112	Tacamine; 16,17-Anhydro 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038113	Talcarpine; 19,20-Didehydro 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038114	Tetraphyllicine; N-De-Me, O-Ac 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038115	Tronoharine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038116	Vellosimine; 10-Methoxy, N1-Me 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038117	Venalstonine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038118	Vindolinine 	C21H24N2O2	336.183778	NA	MeJP	NA	NA
+MJ038119	Akuammicine, Nb-Me 	C21H25N2O2(+)	336.183778	NA	MeJP	NA	NA
+MJ038120	Pericyclivine; 16-Epimer, Nb-Me 	C21H25N2O2(+)	336.183778	NA	MeJP	NA	NA
+MJ038121	Pleiocarpamine; N4-Me 	C21H25N2O2(+)	336.183778	NA	MeJP	NA	NA
+MJ038122	Strictamine; Nb-Me 	C21H25N2O2(+)	336.183778	NA	MeJP	NA	NA
+MetaCyc02950	tabersonine []	C21H24N2O2	336.183778	NA	metacyc	NA	NA
+C09035	Apovincamine	C21H24N2O2	336.1838	NA	KEGG	NA	NA
+C09107	Catharanthine	C21H24N2O2	336.1838	NA	KEGG	NA	NA
+C09244	Tabersonine	C21H24N2O2	336.1838	NA	KEGG	NA	NA
+3508	ACE inhibitor (b-Lg 9-14)	GLDIQK	336.18395	MH2+	Inhouse_peptide	NA	peptide
+C15358	4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one	C20H29ClO2	336.1856	NA	KEGG	NA	NA
+MJ038123	Diptocarpidine; S-Deoxy 	C15H32N2O2S2	336.190519	NA	MeJP	NA	NA
+MJ038124	1,10:4,5-Diepoxy-8-hydroxy-7(11)-germacren-12,8-olide, 8-(2-Methylpropyl) 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038125	1,8-Dihydroxy-4(15)-eudesmen-12,6-olide, 1-(2-Methylpropanoyl) 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038126	10(14)-Aromadendrene-2,3,4-triol, 2,3-Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038127	10,14-Epoxy-2,3-seco-4(15)-aromadendrene-2,3-diol, Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038128	11,12-Epoxy-7-drimene-1,11-diol, Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038129	11,12-Epoxy-8(12)-drimene-7,11-diol, Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038130	2,11-Dihydroxy-7-drimen-12-al; 2?-form, Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038131	2,8-Neolemnadiene-4,5,10-triol, 4,10-Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038132	3(15)-Gymnomitrene-1,10-diol, 3?,15-Epoxide, di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038133	3-Gymnomitrene-1,10,15-triol, 1,10-Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038134	4,9-Dihydroxy-10(14)-oplopen-4-one, Di-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038135	5,10-Epoxy-9-hydroxy-11(13)-germacren-12,8-olide, 2-Methylpropanoyl 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038136	9,12,13-Trihydroxy-17-nor-11,16-kauranedione 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038137	9,13-Epoxy-4-hydroxy-19-nor-6-oxo-7-labden-15-oic acid 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038138	Fukinolidiol; 1-(2-Methylpropanoyl) 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038139	Fukinolidiol; 9-(2-Methylpropanoyl) 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038140	Hymenoxon; 3-Deoxy, 8-epimer, 4-(2-methylpropanoyl) 	C19H28O5	336.193674	NA	MeJP	NA	NA
+MJ038141	Zafronic acid; O10-Et, 3-Ac 	C19H28O5	336.193674	NA	MeJP	NA	NA
+C17983	Istamycin KL1	C13H28N4O6	336.2009	NA	KEGG	NA	NA
+C06803	Acebutolol	C18H28N2O4	336.2049	NA	KEGG	NA	NA
+MJ038142	Acebutolol 	C18H28N2O4	336.204907	NA	MeJP	NA	NA
+MJ038143	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 12,13,14,15-Tetrahydro 	C23H28O2	336.20893	NA	MeJP	NA	NA
+MJ038144	Pelretin 	C23H28O2	336.20893	NA	MeJP	NA	NA
+MJ038145	Fluoxymesterone 	C20H29FO3	336.210072	NA	MeJP	NA	NA
+MJ038146	Fentanyl 	C22H28N2O	336.220163	NA	MeJP	NA	NA
+MJ038147	5-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoate 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038148	15-HPETE 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038149	Leukotriene B4 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038150	1(10)-Halimene-15,19-dioic acid; ent-form 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038151	1,14-Thapsanediol, 1-(3-Methyl-2-butenoyl) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038152	1,16-Dihydroxy-2,6,10,14-phytatetraen-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038153	1,18-Dihydroxy-14-decipien-19-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038154	1,19-Dihydroxy-17-kauranoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038155	1,20-Dihydroxy-2,6,10,14-phytatetraen-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038156	1,3-Epoxy-4,8-dihydroxy-6-basmanone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038157	1,4,9-Trihydroxy-2-dolasten-6-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038158	1,5,11-Trihydroxy-15-rosen-7-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038159	1,5,15-Trihydroxy-2,6,10,13-phytatetraen-12-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038160	1-(2,4,6-Trihydroxyphenyl)-1-tetradecanone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038161	1-Hydroxy-12-oxo-2,6,14-phytatrien-19-al, ?13-Isomer, 15-hydroxy 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038162	10(20)-Grayanotoxene-3,5,6,16-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038163	10,15-Dihydroxy-4-oplopanone; 15-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038164	11,12-Epoxy-10-hydroxy-5,8,14-eicosatrienoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038165	11,12-Epoxy-4-hydroxy-7,15(17)-cembradien-16,3-olide, 15,17-Dihydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038166	11,12-Epoxy-8-hydroxy-5,9,14-eicosatrienoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038167	11-Eremophilene-2,8,9-triol, 9-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038168	12,13-Dihydroxy-5,8,10,14,17-eicosapentaenoic acid, 17,18-Dihydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038169	12,13-Dihydroxy-8(14)-abieten-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038170	12,13-Dihydroxy-8(17),14-labdadien-19-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038171	12,15-Cassadiene-3,7,14,19-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038172	12,15-Dihydroxy-8(17),13-labdadien-19-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038173	12,19-Dihydroxy-5,8,10,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038174	12,20-Dihydroxy-5,8,10,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038175	13,14,15,16-Tetranor-7-labdene-12,17-diol; Di-Ac 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038176	13,14-Epoxy-15-hydroxy-1(10)-halimen-18-oic acid; ent-form 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038177	13,16,17-Trihydroxy-3-atisanone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038178	13,16-Dihydroxy-19-kauranoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038179	13,16-Dihydroxy-8(17),14-labdadien-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038180	13,16-Spatadiene-5,15,18,19-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038181	13-Labdene-15,17-dioic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038182	14,15-Dihydroxy-1(10),13(16)-halimadien-19-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038183	14,15-Dihydroxy-5,8,10,12-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038184	14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038185	14,16,17-Trihydroxy-3-atisanone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038186	15,16,18-Trihydroxy-8(14)-pimaren-2-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038187	15,16-Dihydroxy-3,13-clerodadien-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038188	15,16-Dihydroxy-7,13-labdadien-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038189	15,16-Dihydroxy-8(17),13-labdadien-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038190	15,16-Epoxy-13(16),14-clerodadiene-2,3,4-triol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038191	15,16-Epoxy-13(16),14-labdadiene-6,9,19-triol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038192	15-Beyerene-3,7,14,18-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038193	15-Hydroperoxy-5,8,11,13-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038194	15-Hydroxy-3,4-seco-4(18),7-labdadien-3-oic acid, 4,18-Dihydro, 13,14-didehydro(Z-), 15-carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038195	15-Hydroxy-7-oxo-5-halimen-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038196	15-Hydroxy-9-oxo-10,13-prostadienoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038197	15-Hydroxy-9-oxo-4,13-prostadienoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038198	15-Hydroxy-9-oxo-5,13-prostadienoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038199	15-Hydroxy-9-oxo-8(12),13-prostadienoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038200	15-Kaurene-3,7,17,18-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038201	15-Kaurene-3,7,18-triol, 15?,16?-Epoxide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038202	15-Kaurene-7,17,18-triol, 15?,16?-Epoxide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038203	16,17,18-Aphidicolanetriol; 16?-form, 17-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038204	16,17,18-Aphidicolanetriol; 16?-form, 18-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038205	16,17,19-Kauranetriol, 19-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038206	16,17-Dihydroxy-20-kauranoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038207	16,18-Dihydroxy-3,13-clerodadien-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038208	16-Kaurene-2,13,14,15-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038209	16-Kaurene-2,14,15,19-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038210	16-Kaurene-2,6,14,15-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038211	16-Kaurene-3,7,15,18-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038212	17,18-Dihydroxy-19-kauranoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038213	2,11:8,11-Diepoxy-12(20)-capnosene-4,6-diol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038214	2,15-Dihydroxy-1(10)-halimen-18-oic acid, 2-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038215	2,16:3,7-Diepoxy-1(15),11-cembradiene-4,8-diol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038216	2,17-Dihydroxy-7,13-labdadien-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038217	2,3,16,17-Kauranetetrol, 3-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038218	2,3-Dihydroxy-8(17),13-labdadien-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038219	2,4-Dihydroxy-3-methyl-6-undecylbenzoic acid; 4-Me ether 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038220	2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038221	2,5-Dihydroxy-3-tetradecyl-1,4-benzoquinone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038222	2,5-Dihydroxy-3-tridecyl-1,4-benzoquinone; 5-Me ether 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038223	2,6,10,14-Phytatetraene-1,12,19-triol, 12-Ketone, 6?,7?-epoxide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038224	2,6,10,14-Phytatetraene-1,18,19-triol, 19-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038225	2,7-Dihydroxy-8(17),13-labdadien-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038226	2-Heptyl-1-cyclopropanepropanoic acid, 5-Acetoxy-1,3-pentadienyl ester (1Z,3E-) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038227	3,12-Dihydroxy-1,10,14-phytatriene-5,13-dione 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038228	3,13-Clerodadiene-15,16,17-triol, 17-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038229	3,14-Thapsanediol, 3-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038230	3,15,16-Trihydroxy-3-erythroxylen-2-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038231	3,18-Dihydroxy-8(17),13-labdadien-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038232	3,4-Dihydroxy-13-cleroden-15,16-olide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038233	3,4-Dihydroxy-8-eudesmanone, 3-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038234	3,4-Epoxy-2,15-clerodanediol, 2-Ketone, 15-carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038235	3,4:7,8-Diepoxy-12-dolabellene-14,18-diol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038236	3,6-Dihydroxy-2-(1-oxo-10-tetradecenyl)-2-cyclohexen-1-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038237	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038238	3-Clerodene-15,18,19-triol, 15-Carboxylic acid, 13,14-didehydro(E-) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038239	3-Clerodene-15,18-diol, 15,18-Dicarboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038240	3-Hydroperoxy-4(18),13-clerodadien-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038241	3-Hydroxy-17-oxo-13-labden-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038242	3-Hydroxy-4(15)-eudesmen-12-oic acid, 3-Methylbutanoyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038243	4(20),11-Taxadiene-5,9,10,13-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038244	4,16-Dihydroxy-13-cleroden-15,16-olide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038245	4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-(3-Methyl-2-butenoyl) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038246	4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038247	4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Tigloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038248	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038249	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-O-(3-Methyl-2-butenoyl) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038250	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Tigloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038251	4,6-Dihydroxy-8-daucen-10-one, 6-(2-Methylbutanoyl) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038252	4-Hydroxy-12-oxo-11,12-seco-2,6-cembradien-11,8-olide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038253	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038254	5,14-Dihydroxy-3-visciden-20-oic acid; 14-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038255	5,15-Dihydroxy-6,8,11,13-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038256	5,19-Dihydroxy-3,14-viscidadien-20-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038257	5,6-Dihydroxy-7,9,11,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038258	5,8-Dihydroxy-9-daucanone, 8-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038259	5-Halimene-15,18-diol, 15,18-Dicarboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038260	5-Hydroperoxy-3-prenyleudesmene-2,13-dione 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038261	5-Hydroperoxy-6,8,11,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038262	5-Tridecyl-1,3-benzenediol; 2'-Hydroxy, 8'-oxo, 3-Me ether 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038263	6,13-Dihydroxy-3,14-clerodadien-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038264	6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 9-Hydroperoxide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038265	6,16,17-Trihydroxy-3-atisanone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038266	6,17-Dihydroxy-3,4-seco-15-beyeren-3-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038267	6,18-Dihydroxy-3,13-clerodadien-15-oic acid, 15-Alcohol, 18-carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038268	6-Hydroperoxy-4,8,11,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038269	7,13-Labdadiene-15,16,17-triol, 15-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038270	7,15-Dihydroxy-3-cleroden-18,19-olide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038271	7,16,17-Trihydroxy-3-atisanone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038272	7,18-Dihydroxy-3-cleroden-15,16-olide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038273	7,8-Dihydroxy-15-isopimaren-18-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038274	7,8:10,11-Diepoxy-4(16)-dolabellene-17,18-diol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038275	7-Labdene-15,17-diol, 15,17-Dicarboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038276	7-Labdene-15,18-dioic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038277	7-Labdene-15,19-dioic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038278	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 2-ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038279	7-Oxo-3-cleroden-15-oic acid; 6?-Hydroxy 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038280	7-Pimarene-2,3,15,16-tetrol, 2-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038281	7-Pimarene-2,3,15,16-tetrol, 3-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038282	7-Pimarene-3,15,16,18-tetrol, 3-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038283	8(14),15-Isopimaradiene-2,3,18,19-tetrol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038284	8(14)-Abietene-7,13,15,18-tetrol, 7-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038285	8(14)-Pimarene-2,3,15,16-tetrol, 15-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038286	8(17),13-Labdadiene-3,7,15-triol, 15-Carboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038287	8(17)-Labdene-15,18-dioic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038288	8(17)-Labdene-15,19-diol, Dicarboxylic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038289	8,11-Epoxy-4,6-dihydroxy-12(20)-capnosen-2-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038290	8,12-Epoxy-13-labden-1-ol, 6?,11?-Dihydroxy, 1-ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038291	8,12-Epoxy-5,11-dihydroxy-13-labden-1-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038292	8,13-Epoxy-2-hydroxy-14-colensen-3-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038293	8,13-Epoxy-6,7-dihydroxy-14-labden-11-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038294	8,13-Epoxy-6,9-dihydroxy-14-labden-11-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038295	8,14-Epoxy-2,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038296	8,14-Epoxy-4,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038297	8,14-Epoxy-7,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038298	8,14-Thapsanediol, 8-(3-Methylbutenoyl) 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038299	8,14-Thapsanediol, 8-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038300	8,15-Dihydroxy-13-abieten-19-oic cid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038301	8,15-Epoxy-3,12,16-pimaranetriol, 3-Ketone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038302	8-Daucene-2,4,6-triol, 2-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038303	8-Daucene-4,6,10-triol, 6-Angeloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038304	8-Methylpodopyrone; 1'-Oxo 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038305	8-Methylpodopyrone; 10'-Oxo 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038306	8-Methylpodopyrone; 9'-Oxo 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038307	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038308	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038309	9,13-Epoxy-19-hydroxy-7-labden-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038310	9,13-Epoxy-3-hydroxy-7-labden-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038311	9,13-Epoxy-6-hydroxy-7-labden-15-oic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038312	9,13-Epoxy-7-labden-15-oic acid, 7?,8?-Epoxide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038313	9-Hydroperoxy-5,7,11,14-eicosatetraenoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038314	Acanthoaustralide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038315	Betulachrysoquinone hemiketal 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038316	Constanolactone C; 17,18-Dihydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038317	Constanolactone C; 9-Epimer, 17,18-dihydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038318	Constanolactone G; 11-Epimer, 17,18-dihydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038319	Constanolactone G; 17,18-Dihydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038320	Dimerobrasiolide 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038321	Fexerol; 1-Tigloyl 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038322	Florether A 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038323	Floridicin; 16-Alcohol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038324	Garberic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038325	Halicholactone 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038326	Haploparvone; 5?-Hydroxy 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038327	Indicol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038328	Pilosanone A; 18-Hydroxy 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038329	Podoblastin B 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038330	Portulal 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038331	Portulene 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038332	Premarrubenol 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038333	Prostaglandin C3; 5,6,17,18-Tetrahydro 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038334	Shahamin E 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038335	Udoteatrial 	C20H32O4	336.230059	NA	MeJP	NA	NA
+MJ038336	?-Hydroxy-2-(1-oxo-2,6-dodecadienyl)cyclopropanepentanoic acid 	C20H32O4	336.230059	NA	MeJP	NA	NA
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	HMDB	NA	NA
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	HMDB	NA	NA
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	HMDB	NA	NA
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	HMDB	NA	NA
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	HMDB	NA	NA
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	Inhouse_PFEM	NA	NA
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	Inhouse_PFEM	NA	NA
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	Inhouse_PFEM	NA	NA
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	Inhouse_PFEM	NA	NA
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	Inhouse_PFEM	NA	NA
+MetaCyc02951	(5Z,9E,14Z)-(8XI,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate []	C20H32O4	336.23006	NA	metacyc	NA	NA
+MetaCyc02952	(6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate []	C20H32O4	336.23006	71160-24-2	metacyc	NA	NA
+MetaCyc02953	(6E,8Z,11Z,14Z)-(5s)-5-hydroperoxycosa-6,8,11,14-tetraenoate []	C20H32O4	336.23006	NA	metacyc	NA	NA
+MetaCyc02954	(5Z,9E,11Z,14Z)-(8R)-8-hydroperoxyicosa-5,9,11,14-tetraenoate []	C20H32O4	336.23006	NA	metacyc	NA	NA
+MetaCyc02955	(5Z,8Z,11Z,13E)-(15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoate []	C20H32O4	336.23006	NA	metacyc	NA	NA
+MetaCyc02956	(5Z,8Z,10E,14Z)-(12S)-12-hydroperoxyicosa-5,8,10,14-tetraenoate []	C20H32O4	336.23006	NA	metacyc	NA	NA
+MetaCyc02957	(13E)-(15S)-15-hydroxy-9-oxoprosta-11,13-dienoate [prostaglandin C1;]	C20H32O4	336.23006	NA	metacyc	NA	NA
+MetaCyc02958	(13E)-(15S)-15-hydroxy-9-oxoprosta-10,13-dienoate [prostaglandin A1;PGA1;]	C20H32O4	336.23006	NA	metacyc	NA	NA
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.23006	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01085	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01085	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02656	Prostaglandin A1	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB02656	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01085	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01085	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01085	HMDB	NA	NA
+HMDB01193	5(S)-Hydroperoxyeicosatetraenoic acid	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01193	HMDB	NA	NA
+HMDB02236	8-iso-PGA1	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB02236	HMDB	NA	NA
+HMDB02656	Prostaglandin A1	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB02656	HMDB	NA	NA
+HMDB02982	Prostaglandin B1	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB02982	HMDB	NA	NA
+HMDB04243	12(S)-HPETE	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04243	HMDB	NA	NA
+HMDB04244	15(S)-HPETE	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04244	HMDB	NA	NA
+HMDB04688	Hepoxilin A3	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04688	HMDB	NA	NA
+HMDB04690	Hepoxilin B3	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04690	HMDB	NA	NA
+HMDB04692	12(R)-HPETE	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04692	HMDB	NA	NA
+HMDB04693	11H-14,15-EETA	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04693	HMDB	NA	NA
+HMDB04696	11(R)-HPETE	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04696	HMDB	NA	NA
+HMDB04699	8(S)-HPETE	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB04699	HMDB	NA	NA
+HMDB05050	15H-11,12-EETA	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB05050	HMDB	NA	NA
+HMDB05087	6-trans-Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB05087	HMDB	NA	NA
+HMDB05088	6-trans-12-epi-Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB05088	HMDB	NA	NA
+HMDB05089	12(S)-Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB05089	HMDB	NA	NA
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB01085	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02656	Prostaglandin A1	C20H32O4	336.23007	http://www.hmdb.ca/metabolites/HMDB02656	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01085	Leukotriene B4	C20H32O4	336.23007	HMDB01085	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01193	5(S)-Hydroperoxyeicosatetraenoic acid	C20H32O4	336.23007	HMDB01193	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02236	8-iso-PGA1	C20H32O4	336.23007	HMDB02236	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02656	Prostaglandin A1	C20H32O4	336.23007	HMDB02656	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02982	Prostaglandin B1	C20H32O4	336.23007	HMDB02982	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04243	12(S)-HPETE	C20H32O4	336.23007	HMDB04243	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04244	15(S)-HPETE	C20H32O4	336.23007	HMDB04244	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04688	Hepoxilin A3	C20H32O4	336.23007	HMDB04688	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04690	Hepoxilin B3	C20H32O4	336.23007	HMDB04690	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04692	12(R)-HPETE	C20H32O4	336.23007	HMDB04692	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04693	11H-14,15-EETA	C20H32O4	336.23007	HMDB04693	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04696	11(R)-HPETE	C20H32O4	336.23007	HMDB04696	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04699	8(S)-HPETE	C20H32O4	336.23007	HMDB04699	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05050	15H-11,12-EETA	C20H32O4	336.23007	HMDB05050	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05087	6-trans-Leukotriene B4	C20H32O4	336.23007	HMDB05087	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05088	6-trans-12-epi-Leukotriene B4	C20H32O4	336.23007	HMDB05088	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05089	12(S)-Leukotriene B4	C20H32O4	336.23007	HMDB05089	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01085	Leukotriene B4	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB01193	5(S)-Hydroperoxyeicosatetraenoic acid	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB02236	8-iso-PGA1	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB02656	Prostaglandin A1	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB02982	Prostaglandin B1	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04243	12(S)-HPETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04244	15(S)-HPETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04688	Hepoxilin A3	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04690	Hepoxilin B3	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04692	12(R)-HPETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04693	11H-14,15-EETA	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04696	11(R)-HPETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB04699	8(S)-HPETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB05050	15H-11,12-EETA	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB05087	6-trans-Leukotriene B4	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB05088	6-trans-12-epi-Leukotriene B4	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB05089	12(S)-Leukotriene B4	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB10204	14,15-DiHETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB10211	17,18-DiHETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB10216	5,15-DiHETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB10219	8,15-DiHETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+HMDB11135	5-HPETE	C20H32O4	336.230072	NA	HMDB2010	NA	NA
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.2301	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.2301	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.2301	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.2301	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.2301	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.2301	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.2301	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.2301	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.2301	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.2301	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.2301	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.2301	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.2301	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.2301	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.2301	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR145	12-hydroxyperoxyeicosatetraenoicacid(12-HPETE)	C20H32O4	336.2301	Wishlist	Inhousejuil11	NA	NA
+EUR150	LeukotrieneB4(LTB4)	C20H32O4	336.2301	Wishlist	Inhousejuil11	NA	NA
+EUR165	ProstaglandinA1(PGA1)	C20H32O4	336.2301	Wishlist	Inhousejuil11	NA	NA
+EUR167	ProstaglandinB1(PGB1)	C20H32O4	336.2301	Wishlist	Inhousejuil11	NA	NA
+EUR169	ProstaglandinC1(PGC1)	C20H32O4	336.2301	Wishlist	Inhousejuil11	NA	NA
+C00959	Prostaglandin B1	C20H32O4	336.2301	NA	KEGG	NA	NA
+C00960	RNA 5'-phosphate	C10H18O13P2R2	336.2301	NA	KEGG	NA	NA
+C02165	Leukotriene B4	C20H32O4	336.2301	NA	KEGG	NA	NA
+C04685	(13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate	C20H32O4	336.2301	NA	KEGG	NA	NA
+C04686	(13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate	C20H32O4	336.2301	NA	KEGG	NA	NA
+C04822	8(R)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C04849	(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic	C20H32O4	336.2301	NA	KEGG	NA	NA
+C04850	1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl-	C20H34NO15R	336.2301	NA	KEGG	NA	NA
+C05356	5(S)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05357	Oxidized azurin	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05358	Reduced azurin	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05359	e-	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05965	12(S)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05966	15(S)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05970	Glyceroglycolipid	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05971	L-Lysophosphatidylethanolamine	C20H32O4	336.2301	NA	KEGG	NA	NA
+C05973	2-Acyl-sn-glycero-3-phosphoethanolamine	C6H13NO7PR	336.2301	NA	KEGG	NA	NA
+C05974	2-Acyl-sn-glycero-3-phosphoserine	C7H13NO9PR	336.2301	NA	KEGG	NA	NA
+C05976	Aminoacyl-phosphatidylglycerol	C10H15NO11PR3	336.2301	NA	KEGG	NA	NA
+C05977	2-Acyl-1-alkyl-sn-glycero-3-phosphate	C4H7O7PR2	336.2301	NA	KEGG	NA	NA
+C09087	Diterpenoid SP-II	C20H32O4	336.2301	NA	KEGG	NA	NA
+C09175	Portulal	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14781	15H-11,12-EETA	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14808	Hepoxilin A3	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14810	Hepoxilin B3	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14812	12(R)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14813	11H-14,15-EETA	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14820	11(R)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14821	9(S)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+C14823	8(S)-HPETE	C20H32O4	336.2301	NA	KEGG	NA	NA
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR484	Prostaglandine A1 F1	NA	336.231525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR484	Prostaglandine A1 F1	NA	336.231525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR484	Prostaglandine A1 F1	NA	336.231525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR484	Prostaglandine A1 F1	NA	336.231525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR484	Prostaglandine A1 F1	F1	336.231525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ038337	1-Heptadecanol; O-Sulfate 	C17H36O4S	336.23343	NA	MeJP	NA	NA
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR512	12-HPETE F1	NA	336.234125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ038338	3-(12-Phenyl-8-dodecenyl)phenol 	C24H32O	336.245315	NA	MeJP	NA	NA
+HMDB06070	Pregnanetriol	C21H36O3	336.265991	NA	HMDB2010	NA	NA
+C14680	5beta-Pregnane-3alpha,17alpha,20alpha-triol	C21H36O3	336.2664	NA	KEGG	NA	NA
+C14977	2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol	C21H36O3	336.2664	NA	KEGG	NA	NA
+MJ038339	13-Hydroxy-3-cleroden-15-oic acid, Me ester 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038340	15,16-Epoxy-3-clerodene-15,18-diol, 15-Me ether 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038341	2-Hydroxy-3-cleroden-15-oic acid, Me ether 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038342	3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 15',16'-Dihydro 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038343	3-Hexadecylidenedihydro-4-hydroxy-5-methylene-2(3H)-furanone 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038344	3-Methyl-5-pentyl-2-furanundecanoic acid 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038345	4-Hydroxy-13-cleroden-15-oic acid, Me ester 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038346	5-Hexadecyl-5-methoxy-2(5H)-furanone; 14',15'-Didehydro (E-) 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038347	7-Labdene-3,15-diol, 15-Formyl 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038348	7-Labdene-3,15-diol, 3-Formyl 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038349	8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-Me ether 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038350	Cladocrocin A 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038351	Plakortone C 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038352	Pregnane-3,16,20-triol 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038353	Pregnane-3,17,20-triol 	C21H36O3	336.266445	NA	MeJP	NA	NA
+MJ038354	Sarcotol; 4-Me ether 	C21H36O3	336.266445	NA	MeJP	NA	NA
+C16533	13,16-Docosadienoic acid	C22H40O2	336.3028	NA	KEGG	NA	NA
+MJ038355	19-Methyl-5,9-heneicosadienoic acid 	C22H40O2	336.30283	NA	MeJP	NA	NA
+MJ038356	20-Methyl-5,9-heneicosadienoic acid 	C22H40O2	336.30283	NA	MeJP	NA	NA
+MJ038357	5,13-Docosadienoic acid 	C22H40O2	336.30283	NA	MeJP	NA	NA
+MJ038358	5,9-Docosadienoic acid 	C22H40O2	336.30283	NA	MeJP	NA	NA
+MJ038359	17-Tricosenal 	C23H44O	336.339216	NA	MeJP	NA	NA
+MJ038360	Atiprimod 	C22H44N2	336.350449	NA	MeJP	NA	NA
+MJ038361	1-Tetracosene 	C24H48	336.375601	NA	MeJP	NA	NA
+3735	NA	RKQDK	336.68695	MH2+	Inhouse_peptide	NA	peptide
+8196	f(78-83) of bovine b-lactoglobulin 	IPAVFK	336.7015	MH2+	Inhouse_peptide	NA	peptide
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.8949	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.8949	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.8949	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.8949	Wishlist	Inhousejuil11	NA	NA
+C03224	3,5-Dibromo-L-tyrosine	C9H9Br2NO3	336.8949	NA	KEGG	NA	NA
+C17080	3,5-Dibromo-tyrosine	C9H9Br2NO3	336.8949	NA	KEGG	NA	NA
+C17099	Aeroplysinin 1	C9H9Br2NO3	336.8949	NA	KEGG	NA	NA
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	HMDB	NA	NA
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	Inhouse_PFEM	NA	NA
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR012	3,5-dibromotyrosine	C9H9Br2NO3	336.894916	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ038362	2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid 	C9H9Br2NO3	336.894918	NA	MeJP	NA	NA
+MJ038363	3,5-Dibromo-2,4-dihydroxyphenylacetic acid; 4-Me ether, amide 	C9H9Br2NO3	336.894918	NA	MeJP	NA	NA
+MJ038364	Aeroplysinin 1 	C9H9Br2NO3	336.894918	NA	MeJP	NA	NA
+C17086	Tyrindoxyl sulfate	C9H8BrNO4S2	336.9078	NA	KEGG	NA	NA
+MJ038365	Tyrindoxyl sulfate 	C9H8BrNO4S2	336.907811	NA	MeJP	NA	NA
+MJ038366	Lissoclinotoxin B 	C10H11NO2S5	336.939332	NA	MeJP	NA	NA
+MJ038367	Clodanolene 	C14H9Cl2N3O3	337.002096	NA	MeJP	NA	NA
+MJ038368	Sudoxicam 	C13H11N3O4S2	337.019097	NA	MeJP	NA	NA
+MJ038369	Tenoxicam 	C13H11N3O4S2	337.019097	NA	MeJP	NA	NA
+MJ038370	Fenquizone 	C14H12ClN3O3S	337.028789	NA	MeJP	NA	NA
+MJ038371	4-[[tert-Butylimino]methyl]benzene-1,3-disulfonic acid; N-Oxide 	C11H15NO7S2	337.028993	NA	MeJP	NA	NA
+C10895	Azafenidin	C15H13Cl2N3O2	337.0385	NA	KEGG	NA	NA
+HMDB01919	Famotidine	C8H15N7O2S3	337.044922	NA	HMDB2010	NA	NA
+MJ038372	Famotidine 	C8H15N7O2S3	337.044934	NA	MeJP	NA	NA
+HMDB01919	Famotidine	C8H15N7O2S3	337.04495	http://www.hmdb.ca/metabolites/HMDB01919	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01919	Famotidine	C8H15N7O2S3	337.04495	http://www.hmdb.ca/metabolites/HMDB01919	HMDB	NA	NA
+HMDB01919	Famotidine	C8H15N7O2S3	337.04495	http://www.hmdb.ca/metabolites/HMDB01919	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01919	Famotidine	C8H15N7O2S3	337.04495	HMDB01919	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01132	Nicotinic acid mononucleotide	C11H16NO9P	337.056274	NA	HMDB2010	NA	NA
+MJ038373	Sauvagnine 	C18H11NO6	337.058637	NA	MeJP	NA	NA
+CJneg0537	Uric acid [(2M-H)]- (13C)	C913CH7N8O6	337.060625	C18rt(min)=1.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0537	Uric acid [(2M-H)]- (13C)	C913CH7N8O6	337.060625	C18rt(min)=1.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03997	5-Hydroxymethyldeoxycytidylate	C10H16N3O8P	337.0675	NA	KEGG	NA	NA
+MJ038374	5-Hydroxymethyldeoxycytidylate 	C10H16N3O8P	337.067501	NA	MeJP	NA	NA
+MetaCyc02959	2'-deoxy-5-hydroxymethylcytidine-5'-phosphate [5-hydroxymethyldeoxycytidylate;]	C10H16N3O8P1	337.067501	NA	metacyc	NA	NA
+MJ038375	Intrazole 	C17H12ClN5O	337.073037	NA	MeJP	NA	NA
+MJ038376	Tambjamine A; 5'-Bromo, 1''-N-(2-methylbutyl) 	C15H20BrN3O	337.078974	NA	MeJP	NA	NA
+CJpos0765	3-indole carboxylic acid glucuronide [(M+H)]+	C15H16NO8	337.079175	C18rt(min)=6.2 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0765	3-indole carboxylic acid glucuronide [(M+H)]+	C15H16NO8	337.079175	C18rt(min)=6.2 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB11658	2,8-Dihydroxyquinoline-beta-D-glucuronide	C15H15NO8	337.079773	NA	HMDB2010	NA	NA
+HMDB13189	3-Indole carboxylic acid glucuronide	C15H15NO8	337.079773	NA	HMDB2010	NA	NA
+CJneg0538	3-indole carboxylic acid glucuronide [(M-H)]-	C15H14NO8	337.080325	C18rt(min)=6.2 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0538	3-indole carboxylic acid glucuronide [(M-H)]-	C15H14NO8	337.080325	C18rt(min)=6.2 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ038377	6-[4-[(4,4,4-Trifluorobutyl)thio]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[3.2.1]octane 	C13H18F3N3S2	337.089423	NA	MeJP	NA	NA
+MJ038378	N-(4-Benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide 	C17H14F3NO3	337.092577	NA	MeJP	NA	NA
+HMDB04662	S-(Hydroxymethyl)glutathione	C11H19N3O7S	337.09436	http://www.hmdb.ca/metabolites/HMDB04662	HMDB	NA	NA
+HMDB04662	S-(Hydroxymethyl)glutathione	C11H19N3O7S	337.09436	HMDB04662	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04662	S-(Hydroxymethyl)glutathione	C11H19N3O7S	337.09436	NA	HMDB2010	NA	NA
+MJ038379	?-Glutamylcysteinylserine 	C11H19N3O7S	337.09437	NA	MeJP	NA	NA
+MetaCyc02960	S-hydroxymethylglutathione [glycine, N-(N-L-&gamma;-S-(hydroxymethyl)-L-cysteinyl)-;HMGSH;HM-GSH;GS-CH2-OH;hydroxymethylglutathione;]	C11H19N3O7S1	337.094371	NA	metacyc	NA	NA
+C14180	S-(Hydroxymethyl)glutathione	C11H19N3O7S	337.0944	NA	KEGG	NA	NA
+PJ000376	SCE 	C11H19N3O7S	337.0944	NA	PeJP	NA	NA
+C09343	Atheroline	C19H15NO5	337.095	NA	KEGG	NA	NA
+MJ038380	7-Formyldehydrohernangerine 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038381	Annolatine 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038382	Arosinine 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038383	Atheroline 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038384	Bulbodione 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038385	Dauriporphine; O6-De-Me 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038386	Eschscholtzine, 5-Oxo 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038387	Fissilandione 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038388	Glaunine 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038389	Grandirubrine 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038390	Ouregidione 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038391	Ovigerine, N-Formyl 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038392	Oxocularine 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038393	Oxyberberine; O10-De-Me 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038394	Oxyberberine; O9-De-Me 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038395	Prenostodione 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038396	Reframidine, 15-Oxo 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038397	Ribasine; N-De-Me 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038398	Sarcocapnidine; ?-Oxo, 1,2,3,4-tetradehydro, N-de-Me, Me ether 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038399	Subsessiline 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038400	Teliglazine; 11-Hydroxy 	C19H15NO5	337.095022	NA	MeJP	NA	NA
+MJ038401	Nifurfoline 	C13H15N5O6	337.102233	NA	MeJP	NA	NA
+PJ000377	GMM 	C12H23N3O4S2	337.113	NA	PeJP	NA	NA
+MJ038402	1H-Indol-3-ylacetyl-myo-inositol 	C16H19NO7	337.116151	NA	MeJP	NA	NA
+MetaCyc02961	indole-3-acetyl-&beta;-6-D-glucose [6-O-indol-3-ylacetyl-&beta;-D-glucose;]	C16H19N1O7	337.116152	NA	metacyc	NA	NA
+MetaCyc02962	indole-3-acetyl-&beta;-4-D-glucose [4-O-indol-3-ylacetyl-&beta;-D-glucose;]	C16H19N1O7	337.116152	NA	metacyc	NA	NA
+MetaCyc02963	indole-3-acetyl-&beta;-1-D-glucose [1-O-indol-3-ylacetyl-&beta;-D-glucose;]	C16H19N1O7	337.116152	NA	metacyc	NA	NA
+MetaCyc02964	indol-3-yl-acetyl-myo-inositol [indole-3-acetyl-myo-inositol;Indole-3-ylacetyl-myo-inositol;indol-3-ylacetyl-1D-myo-inositol;]	C16H19N1O7	337.116152	NA	metacyc	NA	NA
+C03868	Indole-3-acetyl-myo-inositol	C16H19NO7	337.1162	NA	KEGG	NA	NA
+C04197	Indole-3-acetyl-beta-1-D-glucoside	C16H19NO7	337.1162	NA	KEGG	NA	NA
+C04198	Inhibitor of serine endopeptidase	C16H19NO7	337.1162	NA	KEGG	NA	NA
+PJ000378	GDF 	C15H19N3O6	337.1274	NA	PeJP	NA	NA
+MJ038403	4-[2-[[7-Amino-2-(2-furanyl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol 	C16H15N7O2	337.128722	NA	MeJP	NA	NA
+PJ000379	STM 	C12H23N3O6S	337.1308	NA	PeJP	NA	NA
+C10570	Annuloline	C20H19NO4	337.1314	NA	KEGG	NA	NA
+C10594	Ficine	C20H19NO4	337.1314	NA	KEGG	NA	NA
+C10601	Isoficine	C20H19NO4	337.1314	NA	KEGG	NA	NA
+FL3FA9NCN001	Ficine	C20H19NO4	337.1314	2520-36-7	knapsack	NA	NA
+FL3FA9NCN002	Isoficine	C20H19NO4	337.1314	2255-62-1	knapsack	NA	NA
+MJ038404	5,7-Dihydroxy-8-(2-piperidinyl)flavone 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038405	Acronycine; 1,2-Epoxide 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038406	Annuloline 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038407	Atalaphyllidine; 11,12-N,O-di-Me 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038408	Cabudine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038409	Capitavine; N-De-Me 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038410	Crebanine, 6a,7-Didehydro 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038411	Dehydrocorytenchine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038412	Dehydrodicentrine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038413	Dehydronantenine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038414	Ficine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038415	Girinimbine; 7-Hydroxy, 4'-acetoxy 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038416	Isoficine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038417	Isopiline, Me ether, N-formyl, 6a,7-didehydro 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038418	Junosidine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038419	Lambertine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038420	Melosmine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038421	Noracronycine; 5-Methoxy 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038422	Satigrel 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038423	Sinomendine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038424	Tetrahydrocorysamine 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038425	Thalphenine, N-De-Me 	C20H19NO4	337.131408	NA	MeJP	NA	NA
+MJ038426	Caseadinium(1+) 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038427	Columbamine 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038428	Dehydrocorydalmine 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038429	Dehydrodiscretine 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038430	Eschscholtzine, N-Me 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038431	Jatrorrhizine 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038432	Palmatrubine 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038433	Pseudocolumbamine 	C20H20NO4(+)	337.131408	NA	MeJP	NA	NA
+MJ038434	Dambullin 	C17H23NO4S	337.134778	NA	MeJP	NA	NA
+MJ038435	8-Azabicyclo[3.2.1]octane-1,2,3,6-tetrol, 3-O-?-D-Glucopyranoside 	C13H23NO9	337.137281	NA	MeJP	NA	NA
+MJ038436	Streptobiosamine 	C13H23NO9	337.137281	NA	MeJP	NA	NA
+C07655	Streptobiosamine	C13H23NO9	337.1373	NA	KEGG	NA	NA
+MJ038437	Dazolicine 	C17H24ClN3S	337.137946	NA	MeJP	NA	NA
+MJ038438	Mimopudine 	C14H19N5O5	337.138618	NA	MeJP	NA	NA
+MJ038439	N-(Tetrahydro-3-furanyl)adenosine 	C14H19N5O5	337.138618	NA	MeJP	NA	NA
+MJ038440	Phosphinothricylalanyl-2-aminobutanoic acid 	C12H24N3O6P	337.140272	NA	MeJP	NA	NA
+C13670	Talampanel	C19H19N3O3	337.1426	NA	KEGG	NA	NA
+MJ038441	Talampanel 	C19H19N3O3	337.142641	NA	MeJP	NA	NA
+MJ038442	Linezolid 	C16H20FN3O4	337.143784	NA	MeJP	NA	NA
+C08146	Linezolid	C16H20FN3O4	337.1438	NA	KEGG	NA	NA
+C08147	Transferred to D00948	C16H20FN3O4	337.1438	NA	KEGG	NA	NA
+MJ038443	Ericolol 	C18H24ClNO3	337.144471	NA	MeJP	NA	NA
+MJ038444	Glidazamide 	C16H23N3O3S	337.146012	NA	MeJP	NA	NA
+MJ038445	8-Azabicyclo[3.2.1]octane-3,6-diol, O3-(3,4,5-Trimethoxybenzoyl) 	C17H23NO6	337.152537	NA	MeJP	NA	NA
+MetaCyc02965	&beta;-cyclopiazonate []	C20H21N2O3	337.155218	NA	metacyc	NA	NA
+PJ000380	GVY 	C16H23N3O5	337.1638	NA	PeJP	NA	NA
+3380	ACE inhibitor	RY	337.164	celiac toxic	Inhouse_peptide	NA	peptide
+MJ038446	2-Aminobenzoic acid; N-(4-Pentylcinnamoyl) 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+MJ038447	3-Quinuclidinyl benzilate 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+MJ038448	Carquinostatin A 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+MJ038449	Olopatadine 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+MJ038450	Pargeverine 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+MJ038451	Phyllostemine 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+MJ038452	Proroxan 	C21H23NO3	337.167793	NA	MeJP	NA	NA
+C07789	Olopatadine	C21H23NO3	337.1678	NA	KEGG	NA	NA
+HMDB05768	Kyotorphin	C15H23N5O4	337.17499	http://www.hmdb.ca/metabolites/HMDB05768	HMDB	NA	NA
+HMDB05768	Kyotorphin	C15H23N5O4	337.17499	HMDB05768	PFEM_hmdb_metabocards_official	NA	NA
+C02993	Kyotorphin	C15H23N5O4	337.175	NA	KEGG	NA	NA
+PJ000381	RY 	C15H23N5O4	337.175	NA	PeJP	NA	NA
+MJ038453	N2-Tyrosylarginine; L-L-form 	C15H23N5O4	337.175004	NA	MeJP	NA	NA
+MetaCyc02966	L-Tyrosyl-L-arginine [Kyotorphin;]	C15H23N5O4	337.175004	70904-56-2	metacyc	NA	NA
+HMDB05768	Kyotorphin	C15H23N5O4	337.175018	NA	HMDB2010	NA	NA
+C11258	Bitertanol	C20H23N3O2	337.179	NA	KEGG	NA	NA
+MJ038454	Oxiperomide 	C20H23N3O2	337.179026	NA	MeJP	NA	NA
+MJ038455	Phenserine 	C20H23N3O2	337.179026	NA	MeJP	NA	NA
+C17982	Istamycin AO	C13H27N3O7	337.1849	NA	KEGG	NA	NA
+MJ038456	Antibiotic KA 6606XII 	C13H27N3O7	337.1849	NA	MeJP	NA	NA
+C10353	Nemorensine	C18H27NO5	337.1889	NA	KEGG	NA	NA
+C10363	Platyphylline	C18H27NO5	337.1889	NA	KEGG	NA	NA
+C10383	Sarracine	C18H27NO5	337.1889	NA	KEGG	NA	NA
+MJ038457	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3,6-Di-O-tigloyl 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038458	Bisline; 15-Deoxy 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038459	Bulgarsenine 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038460	Nemorensine 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038461	Platyphylline 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038462	Propanidid 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038463	Sarracine 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038464	Trichodesmine; 13-Deoxy 	C18H27NO5	337.188922	NA	MeJP	NA	NA
+MJ038465	Amineptine 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038466	Carbazoquinocin; Carbazoquinocin F 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038467	Danazol 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038468	Daphnicadine 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038469	Holadienine; 14,15-Didehydro, 18-oxo 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038470	Lobeline 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038471	Pheneridine 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038472	Pifenate 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+MJ038473	Proxibutene 	C22H27NO2	337.204179	NA	MeJP	NA	NA
+HMDB02835	Danazol	C22H27NO2	337.20419	http://www.hmdb.ca/metabolites/HMDB02835	HMDB	NA	NA
+HMDB02835	Danazol	C22H27NO2	337.20419	HMDB02835	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02835	Danazol	C22H27NO2	337.204193	NA	HMDB2010	NA	NA
+C07475	Lobeline	C22H27NO2	337.2042	NA	KEGG	NA	NA
+C07476	Transferred to D00526	C22H27NO2	337.2042	NA	KEGG	NA	NA
+C07477	Transferred to D00527	C22H27NO2	337.2042	NA	KEGG	NA	NA
+MJ038474	Gramodendrine 	C21H27N3O	337.215412	NA	MeJP	NA	NA
+MJ038475	4-(Decyloxy)-3,5-dimethoxybenzamide 	C19H31NO4	337.225308	NA	MeJP	NA	NA
+MJ038476	Antibiotic Ro 09-1547; 4-Me ether, 3-O-(aminoacetyl) 	C19H31NO4	337.225308	NA	MeJP	NA	NA
+MJ038477	Dendrowardine 	C19H32NO4(+)	337.225308	NA	MeJP	NA	NA
+MJ038478	Pafenolol 	C18H31N3O3	337.236541	NA	MeJP	NA	NA
+MJ038479	Palustrine, Nb-Formyl 	C18H31N3O3	337.236541	NA	MeJP	NA	NA
+MJ038480	2-Tridecyl-4(1H)-quinolinone; 4',5',7',8'-Tetradehydro, N-Me (Z,Z-) 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038481	3-Greenwayodendrinol 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038482	Isopolyalthenol 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038483	Neopolyalthenol 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038484	Polyalthenol 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038485	Polyavolensinol 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038486	Xorphanol 	C23H31NO	337.240564	NA	MeJP	NA	NA
+MJ038487	19-Isothiocyanato-18-nonadecenal 	C20H35NOS	337.243935	NA	MeJP	NA	NA
+MJ038488	Suloctidil 	C20H35NOS	337.243935	NA	MeJP	NA	NA
+MJ038489	Laingolide; 4-Demethyl 	C20H35NO3	337.261693	NA	MeJP	NA	NA
+MJ038490	Loesenerine 	C19H35N3O2	337.272927	NA	MeJP	NA	NA
+MJ038491	13-Docosenoic acid, Amide 	C22H43NO	337.334465	NA	MeJP	NA	NA
+MJ038492	6-Docosenoic acid, Amide 	C22H43NO	337.334465	NA	MeJP	NA	NA
+MJ038493	Pyrrolidine; N-Octadecanoyl 	C22H43NO	337.334465	NA	MeJP	NA	NA
+8279	Antioxidative peptide	VPNSYP	337.65495	MH2+	Inhouse_peptide	NA	peptide
+MJ038494	1,1,4-Tribromo-4-chloro-3-buten-2-one 	C4H2Br3ClO	337.73443	NA	MeJP	NA	NA
+MJ038495	1,3,4-Tribromo-1-chloro-3-buten-2-one 	C4H2Br3ClO	337.73443	NA	MeJP	NA	NA
+MJ038496	1,4,4-Tribromo-1-chloro-3-buten-2-one 	C4H2Br3ClO	337.73443	NA	MeJP	NA	NA
+C18105	1,2,3,7,8-Pentachlorodibenzofuran	C12H3Cl5O	337.8627	NA	KEGG	NA	NA
+C18106	2,3,4,7,8-Pentachlorodibenzofuran	C12H3Cl5O	337.8627	NA	KEGG	NA	NA
+MJ038497	Aeroplysinin 2 	C9H8Br2O4	337.878934	NA	MeJP	NA	NA
+MJ038498	1,3-Dichloro-2,4,5-trihydroxy-7-methylanthraquinone 	C15H8Cl2O5	337.974878	NA	MeJP	NA	NA
+MJ038499	3',6-Dichloro-4',5,7-trihydroxyisoflavone 	C15H8Cl2O5	337.974878	NA	MeJP	NA	NA
+MJ038500	Bis(2-hydroxybenzoato-O1,O2)zinc 	C14H10O6Zn	337.976884	NA	MeJP	NA	NA
+MJ038501	Tetradecafluorohexane 	C6F14	337.977644	NA	MeJP	NA	NA
+MetaCyc02967	D-myo-inositol (1,4)-bisphosphate [Ins(1,4)P2;myo-inositol (1,4)-bisphosphate;inositol (1,4)-bisphosphate;I(1,4)P2;]	C6H12O12P2	337.980399	47055-78-7	metacyc	NA	NA
+MetaCyc02968	D-myo-inositol (3,4)-bisphosphate [1D-myo-inositol (3,4)-bisphosphate;inositol (3,4)-bisphosphate;(2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid;Ins(3,4)P2;I(3,4)P2;]	C6H12O12P2	337.980399	NA	metacyc	NA	NA
+MetaCyc02969	D-myo-inositol (1,3)-bisphosphate [1D-myo-inositol (1,3)-bisphosphate;myo-inositol (1,3)-bisphosphate;inositol (1,3)-bisphosphate;Ins(1,3)P2;I(1,3)P2;]	C6H12O12P2	337.980399	103597-56-4	metacyc	NA	NA
+MetaCyc02970	D-myo-inositol (2,4) bisphosphate [1D-myo-inositol (2,4) bisphosphate;myo-inositol (2,4) bisphosphate;Ins(2,4)P2;I(2,4)P2;]	C6H12O12P2	337.980399	NA	metacyc	NA	NA
+MetaCyc02971	D-myo-inositol (1,2) bisphosphate [1D-myo-inositol (1,2) bisphosphate;1D-myo-inositol (1,2) biphosphate;Ins(1,2)P2;D-myo-inositol (1,2) biphosphate;I(1,2)P2;]	C6H12O12P2	337.980399	NA	metacyc	NA	NA
+MetaCyc02972	D-myo-inositol (4,5)-bisphosphate [1-D-myo-inositol (4,5)-bisphosphate;Ins(4,5)P2;I(4,5)P2;]	C6H12O12P2	337.980399	NA	metacyc	NA	NA
+MJ038502	Agelongine 	C13H11BrN2O4	337.990219	NA	MeJP	NA	NA
+MJ038503	Ilonidap 	C14H8ClFN2O3S	337.992818	NA	MeJP	NA	NA
+MJ038504	5,7-Dichloro-2,8-dihydroxy-1,3-dimethylxanthone; 2-Me ether 	C16H12Cl2O4	338.011264	NA	MeJP	NA	NA
+MJ038505	Treloxinate 	C16H12Cl2O4	338.011264	NA	MeJP	NA	NA
+MJ038506	Chlortalidone 	C14H11ClN2O4S	338.012805	NA	MeJP	NA	NA
+HMDB03074	Delphinidin	C15H11ClO7	338.019318	NA	HMDB2010	NA	NA
+HMDB03074	Delphinidin	C15H11ClO7	338.01932	http://www.hmdb.ca/metabolites/HMDB03074	HMDB	NA	NA
+HMDB03074	Delphinidin	C15H11ClO7	338.01932	HMDB03074	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc02973	mercuriphenyl acetate [(aceto)phenylmercury;(acetoxymercuri)benzene;(acetoxymercurio)-benzene;acetoxyphenylmercury;phenomercuric acetate;phenylmercuric acetate;(acetato-O)phenylmercury;phenylmercury(II) acetate;]	C8H8HG1O2	338.023056	62-38-4	metacyc	NA	NA
+C11151	Phenylmercury acetate	C8H8HgO2	338.0231	NA	KEGG	NA	NA
+MJ038507	Dehydrodigallic acid 	C14H10O10	338.027396	NA	MeJP	NA	NA
+MJ038508	1,8-Dihydroxy-3-methylbenz[a]anthracene-7,12-dione; 1'-Chloro 	C19H11ClO4	338.034586	NA	MeJP	NA	NA
+MJ038509	Brodimoprim 	C13H15BrN4O2	338.037838	NA	MeJP	NA	NA
+MJ038510	Rubrifacine 	C13H10N2O9	338.038629	NA	MeJP	NA	NA
+MetaCyc02974	N5-carboxyaminoimidazole ribonucleotide [5-phosphoribosyl-5-carboxyaminoimidazole;N5-CAIR;]	C9H13N3O9P1	338.038941	NA	metacyc	NA	NA
+MJ038511	1,3,8,10,11-Pentahydroxy-5,12-naphthacenedione 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038512	Bisdeoxydehydrodothistromin 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038513	Cycloleucomelone 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038514	Edgeworthin 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038515	Topopyrone A; Dechloro 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038516	Topopyrone B; Dechloro 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038517	Versicolorin A 	C18H10O7	338.042652	NA	MeJP	NA	NA
+MJ038518	Sezolamide 	C11H18N2O4S3	338.042869	NA	MeJP	NA	NA
+MJ038519	Fluquazone 	C16H10ClF3N2O	338.043375	NA	MeJP	NA	NA
+C11701	UK-47265	C13H12Cl2N6O	338.045	NA	KEGG	NA	NA
+C04437	1-(5-Phosphoribosyl)imidazole-4-acetate	C10H15N2O9P	338.0515	NA	KEGG	NA	NA
+C04438	1-Acyl-sn-glycero-3-phosphoethanolamine	C6H13NO7PR	338.0515	NA	KEGG	NA	NA
+C04441	Peptide 2-(3-carboxy-3-aminopropyl)-L-histidine	C11H15N5O4R2	338.0515	NA	KEGG	NA	NA
+HMDB06032	Imidazoleacetic acid ribotide	C10H15N2O9P	338.05151	http://www.hmdb.ca/metabolites/HMDB06032	HMDB	NA	NA
+HMDB06032	Imidazoleacetic acid ribotide	C10H15N2O9P	338.05151	HMDB06032	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06032	Imidazoleacetic acid ribotide	C10H15N2O9P	338.051514	NA	HMDB2010	NA	NA
+MJ038520	1-(5-Phosphoribosyl)imidazole-4-acetate 	C10H15N2O9P	338.051516	NA	MeJP	NA	NA
+MJ038521	Cymopolone 	C16H19BrO3	338.051757	NA	MeJP	NA	NA
+MJ038522	2,2',4,4',6-Pentahydroxy-6'-methylbenzophenone; 2',4-Di-Me ether, 5-chloro 	C16H15ClO6	338.055715	NA	MeJP	NA	NA
+MJ038523	6-Chloro-1,2,3,4-naphthalenetetrol; 2,3-Di-Me ether, 1,4-di-Ac 	C16H15ClO6	338.055715	NA	MeJP	NA	NA
+MJ038524	Griseofulvin, 6-O-De-Me 	C16H15ClO6	338.055715	NA	MeJP	NA	NA
+HMDB01517	AICAR	C9H15N4O8P	338.06274	http://www.hmdb.ca/metabolites/HMDB01517	HMDB	NA	NA
+HMDB01517	AICAR	C9H15N4O8P	338.06274	HMDB01517	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01517	AICAR	C9H15N4O8P	338.062744	NA	HMDB2010	NA	NA
+MJ038525	Acadesine; 5'-Phosphate 	C9H15N4O8P	338.062749	NA	MeJP	NA	NA
+MJ038526	Tartaric acid, 2-O-(4-Hydroxy-E-cinnamoyl), 3-Ac 	C9H15N4O8P	338.06275	NA	MeJP	NA	NA
+MetaCyc02975	AICAR [Z-nucleotide;aminoimidazole carboxamide ribonucleotide;AICA ribonucleotide;5'-phosphoribosyl-5-amino-4-imidazole carboxamide;5-amino-4-imidazolecarboxamide ribotide;5'-P-ribosyl-5-amino-4-imidazole carboxamide;]	C9H15N4O8P1	338.06275	3031-94-5	metacyc	NA	NA
+C04677	1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide	C9H15N4O8P	338.0628	NA	KEGG	NA	NA
+C04678	Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate	C28H50NO9P	338.0628	NA	KEGG	NA	NA
+C04679	Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine	C11H22N4O3R2	338.0628	NA	KEGG	NA	NA
+C04680	Retinyl-ester-(cellular-retinol-binding-protein)	C21H29O2R	338.0628	NA	KEGG	NA	NA
+C04681	[Acetyl-CoA:carbon-dioxide ligase (ADP-forming)]	C17H27N5O4SR2	338.0628	NA	KEGG	NA	NA
+C04682	[Methylmalonyl-CoA:pyruvate carboxytransferase]	C17H27N5O4SR2	338.0628	NA	KEGG	NA	NA
+C04683	alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R	C17H28NO14R	338.0628	NA	KEGG	NA	NA
+MJ038527	4-Chlorotryptophan, N-(Carbomethoxyacetyl) 	C15H15ClN2O5	338.066949	NA	MeJP	NA	NA
+MetaCyc02976	glutathione amide perthiol [GASSH;]	C10H18N4O5S2	338.071861	NA	metacyc	NA	NA
+PJ000382	CCN 	C10H18N4O5S2	338.0719	NA	PeJP	NA	NA
+C04905	1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-	C14H19N4O	338.0742	NA	KEGG	NA	NA
+C04906	N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-	C22H37N2O16R	338.0742	NA	KEGG	NA	NA
+C04907	alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-D-	C25H41N2O19R	338.0742	NA	KEGG	NA	NA
+MetaCyc02977	1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(&beta;-hydroxyethyl)-2-methylpyridinium bromide []	C14H19N4O1BR1	338.074224	NA	metacyc	NA	NA
+C15599	6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-	C14H14N2O8	338.075	NA	KEGG	NA	NA
+C15601	Glyceollin	C14H14N2O8	338.075	NA	KEGG	NA	NA
+C15602	Quinone	C14H14N2O8	338.075	NA	KEGG	NA	NA
+C15603	Hydroquinone	C14H14N2O8	338.075	NA	KEGG	NA	NA
+MJ038528	Thiazostatin A 	C15H18N2O3S2	338.075883	NA	MeJP	NA	NA
+C03686	8-O-Methylsterigmatocystin	C19H14O6	338.079	NA	KEGG	NA	NA
+C03687	Alkane-alpha,omega-diamine	H4N2	338.079	NA	KEGG	NA	NA
+C03688	Apo-[acyl-carrier-protein]	H4N2	338.079	NA	KEGG	NA	NA
+C12402	Rabelomycin	C19H14O6	338.079	NA	KEGG	NA	NA
+FL1B1CNF0002	Castillene D	C19H14O6	338.07903	126585-63-5	knapsack	NA	NA
+FL1C2CNF0001	5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone	C19H14O6	338.07903	61755-70-2	knapsack	NA	NA
+FL1CHYNF0002	Ovalitenone	C19H14O6	338.07903	64280-22-4	knapsack	NA	NA
+FLIB1LNF0002	Neotenone;Neorautenone	C19H14O6	338.07903	10091-02-8	knapsack	NA	NA
+FLID1CNF0003	Ficinin;4-Methoxyneodulin	C19H14O6	338.07903	10338-03-1	knapsack	NA	NA
+MJ038529	1,8-Dihydroxy-3-methoxy-6-(3-oxo-1-butenyl)anthraquinone 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038530	Antibiotic SS 228Y 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038531	Antibiotic WS 5995B 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038532	Aristololide; 9-Ethoxy 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038533	Castillene B; O3-De-Me, 3-ketone, 3',4'-methylenedioxy 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038534	Glabone; 3'-Hydroxy, 5'-methoxy 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038535	Leprapic acid, Parent acid 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038536	Milletenin B 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038537	Neoduleen; 6a,12a-Dihydro, 4-methoxy 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038538	Neotenone 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038539	Ovalitenone 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038540	Rabelomycin 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038541	Sterigmatocystin; Me ether 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038542	Tectoleafquinone 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MJ038543	Tetrangomycin; 2-Hydroxy 	C19H14O6	338.079038	NA	MeJP	NA	NA
+MetaCyc02978	8-O-methylsterigmatocystin []	C19H14O6	338.079038	NA	metacyc	NA	NA
+C10942	Inabenfide	C19H15ClN2O2	338.0822	NA	KEGG	NA	NA
+MJ038544	Iliparcil 	C16H18O6S	338.082408	NA	MeJP	NA	NA
+CJneg0539	3-indole carboxylic acid glucuronide [(M-H)]- (13C)	C1413CH14NO8	338.083625	C18rt(min)=6.2 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0539	3-indole carboxylic acid glucuronide [(M-H)]- (13C)	C1413CH14NO8	338.083625	C18rt(min)=6.2 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ038545	Colfenamate 	C16H13F3N2O3	338.087826	NA	MeJP	NA	NA
+MJ038546	Cymopol; 1-Me ether 	C17H23BrO2	338.088142	NA	MeJP	NA	NA
+MJ038547	1,2,4-Naphthalenetriol; 4-O-?-D-Glucopyranoside 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MJ038548	1,4,5-Naphthalenetriol; 4-O-?-D-Glucopyranoside 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MJ038549	1,4,5-Naphthalenetriol; 5-O-?-D-Glucopyranoside 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MJ038550	2-Hydroxy-5-methyl-4H-1-benzopyran-4-one; O-?-D-Glucopyranoside 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MJ038551	3-O-p-Coumaroylquinic acid 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MJ038552	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MJ038553	Lomazarin; 8-Me ether 	C16H18O8	338.100167	NA	MeJP	NA	NA
+MetaCyc02979	trans-5-O-(4-coumaroyl)-D-quinate []	C16H18O8	338.100168	NA	metacyc	NA	NA
+MetaCyc02980	4-coumaroylquinate [trans-(p-coumaroyl)-quinate;trans-5-O-(4-coumaroyl)quinate;]	C16H18O8	338.100168	NA	metacyc	NA	NA
+C10432	1-Caffeoyl-4-deoxyquinic acid	C16H18O8	338.1002	NA	KEGG	NA	NA
+C10441	4-p-Coumaroylquinic acid	C16H18O8	338.1002	NA	KEGG	NA	NA
+C12208	p-Coumaroyl quinic acid	C16H18O8	338.1002	NA	KEGG	NA	NA
+MJ038554	Thalidastine 	C19H16NO5	338.102847	NA	MeJP	NA	NA
+MJ038555	Emethacin A 	C19H18N2O2S	338.108898	NA	MeJP	NA	NA
+MJ038556	Tilmacoxib 	C16H19FN2O3S	338.110041	NA	MeJP	NA	NA
+C01701	(-)-Glyceollin I	C20H18O5	338.1154	NA	KEGG	NA	NA
+C01702	Glycogenin	C10H10N2O3R2	338.1154	NA	KEGG	NA	NA
+C10049	Glepidotin A	C20H18O5	338.1154	NA	KEGG	NA	NA
+C10360	2-Isoprenylemodin	C20H18O5	338.1154	NA	KEGG	NA	NA
+C10422	(-)-Glyceollin II	C20H18O5	338.1154	NA	KEGG	NA	NA
+C10542	Wighteone	C20H18O5	338.1154	NA	KEGG	NA	NA
+C11576	6-(3,3-DMA)galangin	C20H18O5	338.1154	NA	KEGG	NA	NA
+C11581	8-(1,1-Dimethylallyl)galangin	C20H18O5	338.1154	NA	KEGG	NA	NA
+C15511	Glyceollin III	C20H18O5	338.1154	NA	KEGG	NA	NA
+C17742	Demethoxycurcumin	C20H18O5	338.1154	NA	KEGG	NA	NA
+FL1C1ANP0007	3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone	C20H18O5	338.11542	-	knapsack	NA	NA
+FL1CE9NP0001	Mallotus A	C20H18O5	338.11542	116107-14-3	knapsack	NA	NA
+FL1CHYNP0003	Glyinflanin B	C20H18O5	338.11542	142750-23-0	knapsack	NA	NA
+FL2FA9NI0006	5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone	C20H18O5	338.11542	74161-07-2	knapsack	NA	NA
+FL2FAANP0003	Citflavanone	C20H18O5	338.11542	70872-27-4	knapsack	NA	NA
+FL2FAANP0009	Paratocarpin K;5,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C20H18O5	338.11542	170900-13-7	knapsack	NA	NA
+FL3FAANI0004	5,7,4'-Trihydroxy-6-prenylflavone;6-C-Prenylapigenin; 6-Prenylapigenin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O5	338.11542	68097-13-2	knapsack	NA	NA
+FL3FAANI0007	Yinyanghuo D;5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one	C20H18O5	338.11542	174286-25-0	knapsack	NA	NA
+FL3FAANP0003	Licoflavone C;8-Prenylapigenin;5,7,4'-Trihydroxy-8-prenylflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O5	338.11542	72357-31-4	knapsack	NA	NA
+FL5FA9NI0001	Glepidotin A	C20H18O5	338.11542	42193-83-9	knapsack	NA	NA
+FL5FA9NI0002	3,5,7-Trihydroxy-6-prenylflavone	C20H18O5	338.11542	51948-71-1	knapsack	NA	NA
+FL5FA9NI0003	3,5,7-Trihydroxy-8-(1,1-dimethylprop-2-en-1-yl)flavone;8-(1,1-Dimethylallyl)galangin	C20H18O5	338.11542	128508-11-2	knapsack	NA	NA
+FLIA1ANP0004	Psoralenol	C20H18O5	338.11542	70522-30-4	knapsack	NA	NA
+FLIAAANI0001	Wighteone;Erythrinin B;5,7,4'-Trihydroxy-6-prenylisoflavone	C20H18O5	338.11542	51225-30-0	knapsack	NA	NA
+FLIAAANI0002	6-(1,1-Dimethylallyl)genistein	C20H18O5	338.11542	77390-42-2	knapsack	NA	NA
+FLIAAANI0005	Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone	C20H18O5	338.11542	68436-47-5	knapsack	NA	NA
+FLIAAANI0009	Lupiwighteone;5,7,4'-Trihydroxy-8-prenylisoflavone	C20H18O5	338.11542	104691-86-3	knapsack	NA	NA
+FLIAAANP0008	Crotalarin	C20H18O5	338.11542	109517-68-2	knapsack	NA	NA
+FLIDAANF0001	Apiocarpin	C20H18O5	338.11542	83919-96-4	knapsack	NA	NA
+FLIDHXNF0003	Glyceollin III	C20H18O5	338.11542	61080-23-7	knapsack	NA	NA
+FLIDHXNF0004	Canescacarpin	C20H18O5	338.11542	79082-46-5	knapsack	NA	NA
+FLIDHXNP0001	(-)-Glyceollin I	C20H18O5	338.11542	57103-57-8	knapsack	NA	NA
+FLIDHXNP0002	(-)-Glyceollin II	C20H18O5	338.11542	67314-98-1	knapsack	NA	NA
+FLIDHXNP0003	Tuberosin	C20H18O5	338.11542	41347-45-9	knapsack	NA	NA
+FLII1LNP0001	Neoraufurane	C20H18O5	338.11542	53734-76-2	knapsack	NA	NA
+MJ038557	1,3,8-Trihydroxy-6-methyl-2-(3-methyl-2-butenyl)anthraquinone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038558	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(3-Methyl-2-butenyl) 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038559	15,16-Epoxy-1,3,7,13(16),14-clerodapentaene-17,12:18,19-diolide 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038560	17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 1-Oxo, 14-hydroxy, 15,16-didehydro 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038561	1a-Hydroxyphaseollone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038562	2',4',7-Trihydroxy-3'-prenylisoflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038563	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-7-(2-propenyl)-4,5-benzofurandiol, 3',4':4,5-Bis(methylene) ether 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038564	3',4',6-Trihydroxy-5-prenylaurone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038565	3',4',6-Trihydroxy-7-prenylaurone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038566	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4':4,5-Bis(methylene) ether 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038567	3,5,7-Trihydroxy-6-prenylflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038568	4',5,7-Trihydroxy-3'-prenylflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038569	4',5,7-Trihydroxy-3'-prenylisoflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038570	4',5,7-Trihydroxy-6-prenylisoflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038571	4',5,7-Trihydroxy-8-prenylflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038572	4',5,7-Trihydroxy-8-prenylisoflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038573	5,7-Dihydroxy-8-prenylflavanone, 4''-Oxo 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038574	6-(1,1-Dimethyl-2-propenyl)-4',5,7-trihydroxyisoflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038575	6a-Hydroxyphaseollin 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038576	8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxyflavone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038577	Alpinumisoflavone; 3,4-Dihydro 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038578	Antibiotic MK 3018 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038579	Antibiotic SM 196A; 7-Ketone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038580	Antibiotic Sch 58450 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038581	Apiocarpin 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038582	Carpachromene; 2,3-Dihydro 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038583	Carpachromene; 3'',4''-Dihydro 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038584	Citflavanone 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038585	Corylin; 3',4'-Dihydro, 3'-hydroxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038586	Curcumin; Demethoxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038587	Daleformis 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038588	Glyasperin F; 5-Deoxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038589	Glyceollin I 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038590	Glyinflanin B 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038591	Hatomarubigin C 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038592	Isobavachromene; 3''-Hydroxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038593	Licoisoflavone B; 2,3-Dihydro, 5-deoxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038594	Mallotus A 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038595	Moracin G; 4'-Methoxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038596	Neoraufurane 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038597	Otobain, 7-Oxo 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038598	Palmarumycin CP3; 6,7-Dihydro, 5?-alcohol 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038599	Pinnatal 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038600	Psorolactone B 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038601	Rabelomycin; 1-Alcohol, 6-deoxy, 8-Me ether 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038602	Rhyacophilene; 7,8-Didehydro 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038603	Rubiginone A1 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038604	Tanshinonic acid; Me ester 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038605	Terphenyllin 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038606	Teuvincenone E; 15,16-Didehydro 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038607	Tuberosin 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038608	Vismiaguianin A 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MJ038609	Vitrofolal B; 3-Deoxy 	C20H18O5	338.115423	NA	MeJP	NA	NA
+MetaCyc02981	glyceollin [(-) - glyceollin I;]	C20H18O5	338.115424	57103-57-8	metacyc	NA	NA
+MetaCyc02982	isowighteone [3'-prenyl-5,7,4'-trihydroxyisoflavone;]	C20H18O5	338.115424	NA	metacyc	NA	NA
+MetaCyc02983	lupiwighteone [8-prenyl-5,7,4'-trihydroxyisoflavone;]	C20H18O5	338.115424	NA	metacyc	NA	NA
+MetaCyc02984	wighteone [6-isopentenylgenistein;6-prenyl-5,7,4'-trihydroxyisoflavone;]	C20H18O5	338.115424	NA	metacyc	NA	NA
+MetaCyc02985	glyceollin III []	C20H18O5	338.115424	NA	metacyc	NA	NA
+MetaCyc02986	glyceollin II []	C20H18O5	338.115424	NA	metacyc	NA	NA
+MetaCyc02987	glyceollin I []	C20H18O5	338.115424	NA	metacyc	NA	NA
+MJ038610	Alamarine 	C19H18N2O4	338.126657	NA	MeJP	NA	NA
+MJ038611	Cimoxatone 	C19H18N2O4	338.126657	NA	MeJP	NA	NA
+MJ038612	Isoalamarine 	C19H18N2O4	338.126657	NA	MeJP	NA	NA
+C09326	Alamarine	C19H18N2O4	338.1267	NA	KEGG	NA	NA
+MJ038613	Moxnidazole 	C13H18N6O5	338.133867	NA	MeJP	NA	NA
+MJ038614	1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 11?,13-Dihydro, 8-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038615	1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038616	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 3-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038617	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 13-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038618	1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 15-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038619	2,10-Dihydroxy-3-oxo-1,11(13)-eremophiladien-12-oic acid; 10?-form, 10-Hydroperoxide, 2-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038620	2,2-Dimethyl-2H-1-benzopyran-7-ol; O-?-D-Glucopyranoside 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038621	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038622	3,7,15-Trihydroxy-8-scirpenone, 3-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038623	3,7,8,15-Scirpenetetrol; 8-Ketone, 15-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038624	4,9,10-Trihydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 9-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038625	5,7-Dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-methyl-4H-1-benzopyran-4-one; 1',2'-Dihydroxy, 5,7-di-Me ether 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038626	6-Hydroxy-5(10)-pinguisen-11,6-olide-12,15-dioic acid, Di-Me ester 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038627	7,8-Epoxy-9,17-dihydroxy-13,14,15,16-tetranor-12,17:19,6-labdanediolide, 17-Me ether 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038628	8,9,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 13-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038629	9,11,13-Trihydroxy-4-oxo-2-pseudoguaien-12,8-olide, 9-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038630	Anislactone A; 7-Epimer, 7-Ac 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038631	Ezomontanin; 11?,13-Dihydro 	C17H22O7	338.136553	NA	MeJP	NA	NA
+MJ038632	Murragleinin 	C17H22O7	338.136553	NA	MeJP	NA	NA
+C09526	1-Peroxyferolide	C17H22O7	338.1366	NA	KEGG	NA	NA
+C01795	Columbamine	C20H20NO4	338.1392	NA	KEGG	NA	NA
+C06163	(S)-cis-N-methylstylopine	C20H20NO4	338.1392	NA	KEGG	NA	NA
+C09553	Jatrorrhizine	C20H20NO4	338.1392	NA	KEGG	NA	NA
+MJ038633	(S)-cis-N-methylstylopine 	C20H20NO4	338.139233	NA	MeJP	NA	NA
+MJ038634	Columbamine 	C20H20NO4	338.139233	NA	MeJP	NA	NA
+MJ038635	N-Methylstylopine(1+) 	C20H20NO4	338.139233	NA	MeJP	NA	NA
+MetaCyc02988	columbamine []	C20H20N1O4	338.139233	3621-36-1	metacyc	NA	NA
+MJ038636	4-(Di-1H-indol-3-ylmethyl)phenol 	C23H18N2O	338.141913	NA	MeJP	NA	NA
+HMDB01272	Nicotine glucuronide	C16H22N2O6	338.147797	NA	HMDB2010	NA	NA
+HMDB01272	Nicotine glucuronide	C16H22N2O6	338.1478	http://www.hmdb.ca/metabolites/HMDB01272	HMDB	NA	NA
+HMDB01272	Nicotine glucuronide	C16H22N2O6	338.1478	HMDB01272	PFEM_hmdb_metabocards_official	NA	NA
+C10264	3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid	C21H22O4	338.1518	NA	KEGG	NA	NA
+C15059	2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate	C21H22O4	338.1518	NA	KEGG	NA	NA
+FL1C1ANI0004	4-Hydroxyderricin	C21H22O4	338.1518	55912-03-3	knapsack	NA	NA
+FL1C1ANI0009	Bavachalcone	C21H22O4	338.1518	20784-60-5	knapsack	NA	NA
+FL1CA9NI0002	Isoxanthohumol(Helichrysum)	C21H22O4	338.1518	72247-79-1	knapsack	NA	NA
+FL1CA9NI0003	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone	C21H22O4	338.1518	116107-09-6	knapsack	NA	NA
+FL1CA9NI0006	2'-Hydroxy-6'-methoxy-4'-prenyloxychalcone	C21H22O4	338.1518	96386-70-8	knapsack	NA	NA
+FL1CRTNI0001	Licochalcone C	C21H22O4	338.1518	144506-14-9	knapsack	NA	NA
+FL1CRTNI0002	Licochalcone A	C21H22O4	338.1518	58749-22-7	knapsack	NA	NA
+FL1D1ANP0001	Crotaramin	C21H22O4	338.1518	255831-59-5	knapsack	NA	NA
+FL2F1ANI0007	Bavachinin	C21H22O4	338.1518	19879-30-2	knapsack	NA	NA
+FL2F1ANI0012	4'-Hydroxyisoderricin;Mundulea flavanone A;4'-Hydroxy-7-methoxy-8-prenylflavanone	C21H22O4	338.1518	126909-50-0	knapsack	NA	NA
+FL2F99NI0001	Falciformin	C21H22O4	338.1518	102275-31-0	knapsack	NA	NA
+FL2FA9NI0004	5-Hydroxy-7-methoxy-6-C-prenylflavanone	C21H22O4	338.1518	55051-79-1	knapsack	NA	NA
+FL2FA9NI0008	Tephrinone	C21H22O4	338.1518	75350-44-6	knapsack	NA	NA
+FL2FA9NI0010	5-Methoxy-7-prenyloxyflavanone	C21H22O4	338.1518	96386-73-1	knapsack	NA	NA
+FL2FA9NI0013	6-C-Prenyl-8-C-methylpinocembrin	C21H22O4	338.1518	101959-25-5	knapsack	NA	NA
+FL2FA9NI0021	5,7-Dihydroxy-6-methyl-8-prenylflavanone	C21H22O4	338.1518	116107-10-9	knapsack	NA	NA
+FL2FA9NM0010	7-O-Prenylcryptostrobin	C21H22O4	338.1518	101959-24-4	knapsack	NA	NA
+FL64A9NF0001	Hildgardtol A	C21H22O4	338.1518	104799-50-0	knapsack	NA	NA
+FL64A9NP0001	Hildgardtol B	C21H22O4	338.1518	104777-98-2	knapsack	NA	NA
+FLIC1LNP0004	2'-O-Methylphaseollinisoflavan	C21H22O4	338.1518	49594-01-6	knapsack	NA	NA
+FLIC1LNP0005	4'-O-Methylglabridin	C21H22O4	338.1518	68978-09-6	knapsack	NA	NA
+FLID1ANI0003	Sandwicensin;3-Hydroxy-9-methoxy-10-prenylpterocarpan	C21H22O4	338.1518	74515-46-1	knapsack	NA	NA
+MJ038637	1,3,8-Trihydroxy-6-methyl-2-prenyl-9(10H)-anthracenone; 3-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038638	1,3,8-Trihydroxy-6-methyl-2-prenyl-9(10H)-anthracenone; ?1',2'-Isomer (E-), 3-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038639	2',4',6'-Trihydroxy-3'-prenylchalcone; 4'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038640	2',4',6'-Trihydroxy-3'-prenylchalcone; 6'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038641	2',4',6'-Trihydroxychalcone; 2'-Me ether, 4'-O-(3-methyl-2-butenyl) 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038642	2',4',7-Trihydroxy-3'-prenylisoflavene; 2'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038643	2',4,4'-Trihydroxy-3'-prenylchalcone; 4'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038644	2',4,4'-Trihydroxy-5'-prenylchalcone; 4'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038645	2,2,12-Trimethyl-2H-naphtho[1,2-f][1]benzopyran-8,9,11-triol; 5,6-Dihydro, 11-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038646	2,4,4'-Trihydroxy-3-prenylchalcone, 2-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038647	2,4-Dihydroxy-3-prenyl-6-styrylbenzoic acid, 4-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038648	2-Methylteretifolione B 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038649	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7'-ene, 3',4'-Methylene, 4,5-di-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038650	3,9-Dihydroxy-10-prenylpterocarpan; 9-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038651	3,9-Dihydroxy-2-prenylpterocarpan; 3-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038652	3,9-Dihydroxy-4-prenylpterocarpan; 9-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038653	3,9-Dihydroxy-8-prenylpterocarpan, 9-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038654	4',7-Dihydroxy-6-prenylflavanone, 7-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038655	4',7-Dihydroxy-8-prenylflavanone, 7-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038656	4,6-Dihydroxy-3-prenyl-2-styrylbenzoic acid, 4-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038657	5,7-Dihydroxy-6-methyl-8-prenylflavanone 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038658	5,7-Dihydroxy-6-prenylflavanone, 7-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038659	5,7-Dihydroxy-8-methyl-6-prenylflavanone 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038660	5,7-Dihydroxy-8-methylflavanone, 7-O-(3-Methyl-2-butenyl) 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038661	5,7-Dihydroxy-8-prenylflavanone, 7-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038662	5,7-Dihydroxyflavanone, 5-Me ether, 7-O-(3-methyl-2-butenyl) 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038663	7-[2-(3,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran-5-ol, 3',5-Di-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038664	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038665	Archangelin 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038666	Bergamottin 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038667	Carinatidin; Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038668	Eupomatenoid 6; 3',7-Dimethoxy, Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038669	Falciformin 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038670	Gancaonin Y 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038671	Garugamblin 1 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038672	Garuganin II; 4-Demethoxy 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038673	Glabridin, 2'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038674	Glabridin, 4'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038675	Hildgardtol A 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038676	Hildgardtol B 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038677	Iliensin 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038678	Isobavachromene; 2',3'-Dihydro, 4''-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038679	Kurospongin 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038680	Licochalcone A 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038681	Neorauflavane; 5-Demethoxy, 4'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038682	Nic 10 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038683	Panicein B1 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038684	Panicein B2 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038685	Phaseollinisoflavan; 2'-Me ether 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038686	Taxamairin A 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038687	Taxamairin H 	C21H22O4	338.151809	NA	MeJP	NA	NA
+MJ038688	3,4-Dihydroxybutanoic acid, 3-O-?-D-Glucopyranoside, butyl ester 	C14H26O9	338.157682	NA	MeJP	NA	NA
+MJ038689	Dredehongbiose; ?-D-Pyranose-form, Me glycoside 	C14H26O9	338.157682	NA	MeJP	NA	NA
+MJ038690	Glaucobiose; ?-Pyranose-form, Me glycoside 	C14H26O9	338.157682	NA	MeJP	NA	NA
+MJ038691	Glaucobiose; ?-Pyranose-form, Me glycoside 	C14H26O9	338.157682	NA	MeJP	NA	NA
+C02899	beta-Cyclopiazonate	C20H22N2O3	338.163	NA	KEGG	NA	NA
+C02900	beta-D-Galactosyl-R	C6H11O6R	338.163	NA	KEGG	NA	NA
+C02903	omega-Aminoaldehyde	C2H5NO	338.163	NA	KEGG	NA	NA
+MJ038692	Akagerine lactone 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038693	Akuammicine, 19?,20?-Epoxide 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038694	Akuammicine, Nb-Oxide 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038695	Alstonal; N-De-Me 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038696	Alstonisine; 11-Methoxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038697	Bissecodehydrocyclopiazonic acid 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038698	Condylocarpine; 14?-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038699	Condylocarpine; N4-Oxide 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038700	Fluorocarpamine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038701	Gardnutine; 18-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038702	Gelsemine; Nb-Oxide (S-) 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038703	Mossambine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038704	Nor-C-fluorocurarine, 12-Hydroxy, 11-methoxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038705	Pericyclivine; 10-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038706	Perivine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038707	Picrinine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038708	Pleiocarpamine; 11-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038709	Pleiocarpamine; 16-Epimer, N4-oxide 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038710	Roecarboline; N2-De-Me 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038711	Sewarine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038712	Strictamine; 10-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038713	Strictamine; 11-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038714	Strictamine; 12-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038715	Strictamine; 18-Hydroxy 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038716	Strictamine; Nb-Oxide 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038717	Stricticine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+MJ038718	Vinervine 	C20H22N2O3	338.163042	NA	MeJP	NA	NA
+C08503	Pinolidoxin	C18H26O6	338.1729	NA	KEGG	NA	NA
+C14538	Trimethylolpropane trimethacrylate	C18H26O6	338.1729	NA	KEGG	NA	NA
+MJ038719	1,6,8-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 8-Ac, Me ester 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038720	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 3-O-(2E,4E-Hexadienoyl) 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038721	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 8-Epimer, 3-O-(2E,4E-hexadienoyl) 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038722	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 3-O-(2E,4E-Hexadienoyl) 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038723	3-Heptyl-3,4-dihydro-1,6,8-trihydroxy-1H-2-benzopyran-7-carboxylic acid, 1-Me ether 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038724	3-Oxo-17-carboxy-3,18-secobarbacenic acid 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038725	ACRL Toxin III' 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038726	Ankalactone 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038727	p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 9,10-Bis(2-methylpropanoyl) 	C18H26O6	338.172938	NA	MeJP	NA	NA
+MJ038728	1-[[6-Methylergolin-8-yl]methyl]-2,4-imidazolidinedione 	C19H22N4O2	338.174275	NA	MeJP	NA	NA
+MJ038729	[2-[[(2,3-Dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamic acid; Me ester 	C19H22N4O2	338.174275	NA	MeJP	NA	NA
+C00915	Benzyl viologen	C24H22N2	338.1783	NA	KEGG	NA	NA
+MJ038730	1,16-Diisothiocyanato-1,15-hexadecadiene, 1,2-Dihydro 	C18H30N2S2	338.18504	NA	MeJP	NA	NA
+FL6FA9NI0001	5,7-Dimethoxy-8-prenylflavan	C22H26O3	338.18819	87456-68-6	knapsack	NA	NA
+MJ038731	11,17-Dihydroxy-17-(1-propynyl)androsta-1,4,6-trien-3-one 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038732	21-Ethyl-2,6-epoxy-1-oxa-2,5,14,17,20-cycloheneicosapentaen-11-yn-4-one 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038733	3,4',5-Trihydroxy-2-prenylstilbene; Tri-Me ether 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038734	3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-3,6,9,18(22),21-pentaen-12-yn-20-one 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038735	5,7-Dihydroxy-8-prenylflavan, Di-Me ether 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038736	Arachidin II, Tri-Me ether 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038737	Furanoquinone 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038738	Panicein A 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038739	Piptoporic acid; Me ester 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038740	Resmethrin, ANSI 	C22H26O3	338.188194	NA	MeJP	NA	NA
+MJ038741	Smenochromene A 	C22H26O3	338.188194	NA	MeJP	NA	NA
+C10991	Resmethrin	C22H26O3	338.1882	NA	KEGG	NA	NA
+C15029	3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one	C22H26O3	338.1882	NA	KEGG	NA	NA
+C16810	Bioresmethrin	C22H26O3	338.1882	NA	KEGG	NA	NA
+MJ038742	Dimetcarb 	C16H26N4O4	338.195405	NA	MeJP	NA	NA
+C09019	1-Acetylaspidoalbidine	C21H26N2O2	338.1994	NA	KEGG	NA	NA
+C09041	Aspidospermatine	C21H26N2O2	338.1994	NA	KEGG	NA	NA
+C09139	Coronaridine	C21H26N2O2	338.1994	NA	KEGG	NA	NA
+C10940	Epicainide	C21H26N2O2	338.1994	NA	KEGG	NA	NA
+MJ038743	1-[4-([1,1'-Biphenyl]-2-yloxy)-3-hydroxy-1-iminobutyl]piperidine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038744	14,15-Dehydrovincadine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038745	?-Vincadifformine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038746	Affinine; 16-Epimer, N-Me 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038747	Affinisine; 10-Methoxy 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038748	Akagerine; Me ether 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038749	Aspidoalbidine; N-Ac 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038750	Aspidofiline 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038751	Aspidofractinine, 12-Methoxy, N-formyl 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038752	Aspidospermatine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038753	Cathafoline 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038754	Chrysotricine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038755	Coronaridine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038756	Epicainide 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038757	Epivincadine, 14,15-Didehydro 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038758	Geissoschizol; O-Ac 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038759	Kopsinine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038760	Kribine; Me ether (17? -) 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038761	Kribine; Me ether (17? -) 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038762	Limatine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038763	Macroline 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038764	Reflexine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038765	Retuline 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038766	Seredamine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038767	Spermostrychnine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038768	Strychnosplendine; 19-Epimer, 3-deoxy, N1-Ac 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038769	Taberpsychine, 19Z-Isomer, N-methoxy 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038770	Talcarpine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038771	Tetraphyllicine; 10-Methoxy 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038772	Vincadifformine 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038773	Vindolinine; 14,15-Dihydro 	C21H26N2O2	338.199428	NA	MeJP	NA	NA
+MJ038774	C-Alkaloid R 	C21H27N2O2(+)	338.199428	NA	MeJP	NA	NA
+MJ038775	Kopsinine; Parent acid, Nb-Me 	C21H27N2O2(+)	338.199428	NA	MeJP	NA	NA
+MJ038776	Macrosalhine 	C21H27N2O2(+)	338.199428	NA	MeJP	NA	NA
+MJ038777	Sarpagine; N1,N4-Di-Me 	C21H27N2O2(+)	338.199428	NA	MeJP	NA	NA
+MJ038778	Sarpagine; O10,N4-Di-Me 	C21H27N2O2(+)	338.199428	NA	MeJP	NA	NA
+MJ038779	N,3-Dimethyl-N-[1-methyl-3-(4-methyl-1-piperidinyl)propyl]benzenesulfonamide 	C18H30N2O2S	338.202798	NA	MeJP	NA	NA
+C14910	4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one	C20H28F2O2	338.2057	NA	KEGG	NA	NA
+C09725	Shiromodiol diacetate	C19H30O5	338.2093	NA	KEGG	NA	NA
+MJ038780	1,6,10-Farnesatriene-3,5,8-triol; 5,8-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038781	1,6,10-Farnesatriene-3,5,9-triol, 5,9-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038782	1,6,10-Farnesatriene-3,9,12-triol, 9,12-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038783	10,11-Epoxy-2,8-guaianediol, Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038784	16-Hydroxy-3-nor-4,15-dioxo-2,3-seco-2-dolabranoic acid 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038785	2,6,10-Farnesatriene-1,8,12-triol, 1,12-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038786	2,6,10-Farnesatriene-1,8,12-triol, 1,8-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038787	2,6,10-Farnesatriene-1,8,12-triol, 8,12-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038788	3(15)-Caryophyllene-6,7,8-triol, 6,8-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038789	3,6,10-Farnesatriene-1,5,15-triol, 1,15-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038790	4,5-Epoxy-1(10)-germacrene-6,8-diol, Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038791	6,12,14-Trihydroxy-3(15)-caryophyllen-8-one, 6,14-Di-Me ether, 12-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038792	6,7-Epoxy-2-humulene-1,10-diol, Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038793	6-Guaiene-4,9,10-triol, 4,9-Di-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038794	7-Drimene-3,11,12-triol, 11,12-Dialdehyde, 3-Ac, 12-di-Me acetal 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038795	Gingerdiols; [6]-Gingerdiol, 3-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038796	Gingerdiols; [6]-Gingerdiol, 3-Epimer, 3-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038797	Gingerdiols; [6]-Gingerdiol, 3-Epimer, 5-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038798	Gingerdiols; [6]-Gingerdiol, 5-Ac 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038799	Idebenone 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038800	Piperonyl butoxide 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038801	Polygodial acetal; 3?-Acetoxy, 12-epimer 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038802	20-OH-Leukotriene B4 	C19H30O5	338.209324	NA	MeJP	NA	NA
+MJ038803	Lisuride 	C20H26N4O	338.210661	NA	MeJP	NA	NA
+MJ038804	Norplakotenin 	C23H30O2	338.22458	NA	MeJP	NA	NA
+C15338	11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-	C20H31FO3	338.2257	NA	KEGG	NA	NA
+C15444	11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-	C20H31FO3	338.2257	NA	KEGG	NA	NA
+MJ038805	Limaspermine; 12,18-Dideoxy 	C22H30N2O	338.235813	NA	MeJP	NA	NA
+MJ038806	Pirmenol 	C22H30N2O	338.235813	NA	MeJP	NA	NA
+HMDB02265	14,15-DiHETrE	C20H34O4	338.245697	NA	HMDB2010	NA	NA
+HMDB02311	8,9-DiHETrE	C20H34O4	338.245697	NA	HMDB2010	NA	NA
+HMDB02314	11,12-DiHETrE	C20H34O4	338.245697	NA	HMDB2010	NA	NA
+HMDB02343	5,6-DHET	C20H34O4	338.245697	NA	HMDB2010	NA	NA
+HMDB02995	12-Keto-tetrahydro-leukotriene B4	C20H34O4	338.245697	NA	HMDB2010	NA	NA
+EUR131	5,6-DHET	C20H34O4	338.2457	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR132	8,9-DHET	C20H34O4	338.2457	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR133	11,12-DHET	C20H34O4	338.2457	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR134	14,15-DHET	C20H34O4	338.2457	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR131	5,6-DHET	C20H34O4	338.2457	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR132	8,9-DHET	C20H34O4	338.2457	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR133	11,12-DHET	C20H34O4	338.2457	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR134	14,15-DHET	C20H34O4	338.2457	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR131	5,6-DHET	C20H34O4	338.2457	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR132	8,9-DHET	C20H34O4	338.2457	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR133	11,12-DHET	C20H34O4	338.2457	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR134	14,15-DHET	C20H34O4	338.2457	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02265	14,15-DiHETrE	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02265	HMDB	NA	NA
+HMDB02311	8,9-DiHETrE	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02311	HMDB	NA	NA
+HMDB02314	11,12-DiHETrE	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02314	HMDB	NA	NA
+HMDB02330	11,12-Dheta	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02330	HMDB	NA	NA
+HMDB02342	14,15-Dihydroxyeicosatrienoic acid	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02342	HMDB	NA	NA
+HMDB02343	5,6-DHET	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02343	HMDB	NA	NA
+HMDB02351	8,9-Dihydroxyeicosatrienoic acid	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02351	HMDB	NA	NA
+HMDB02995	12-keto-tetrahydro-Leukotriene B4	C20H34O4	338.2457	http://www.hmdb.ca/metabolites/HMDB02995	HMDB	NA	NA
+EUR131	5,6-DHET	C20H34O4	338.2457	Wishlist	Inhousejuil11	NA	NA
+EUR132	8,9-DHET	C20H34O4	338.2457	Wishlist	Inhousejuil11	NA	NA
+EUR133	11,12-DHET	C20H34O4	338.2457	Wishlist	Inhousejuil11	NA	NA
+EUR134	14,15-DHET	C20H34O4	338.2457	Wishlist	Inhousejuil11	NA	NA
+C06088	Aphidicolin	C20H34O4	338.2457	NA	KEGG	NA	NA
+C09205	Zoapatanol	C20H34O4	338.2457	NA	KEGG	NA	NA
+C14772	5,6-DHET	C20H34O4	338.2457	NA	KEGG	NA	NA
+C14773	8,9-DHET	C20H34O4	338.2457	NA	KEGG	NA	NA
+C14774	11,12-DHET	C20H34O4	338.2457	NA	KEGG	NA	NA
+C14775	14,15-DHET	C20H34O4	338.2457	NA	KEGG	NA	NA
+HMDB02265	14,15-DiHETrE	C20H34O4	338.2457	HMDB02265	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02311	8,9-DiHETrE	C20H34O4	338.2457	HMDB02311	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02314	11,12-DiHETrE	C20H34O4	338.2457	HMDB02314	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02330	11,12-Dheta	C20H34O4	338.2457	HMDB02330	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02342	14,15-Dihydroxyeicosatrienoic acid	C20H34O4	338.2457	HMDB02342	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02343	5,6-DHET	C20H34O4	338.2457	HMDB02343	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02351	8,9-Dihydroxyeicosatrienoic acid	C20H34O4	338.2457	HMDB02351	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02995	12-keto-tetrahydro-Leukotriene B4	C20H34O4	338.2457	HMDB02995	PFEM_hmdb_metabocards_official	NA	NA
+MJ038807	1(15)-Dolastene-4,8,9,14-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038808	1,11,15,16-Devadaranetetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038809	1,15,19-Trihydroxy-2,6,10-phytatrien-14-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038810	1,20-Dihydroxy-2,6,10,14-phytatetraen-18-oic acid, 10,11-Dihydro 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038811	1,5,8-Trihydroxy-13-labden-12-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038812	1,6,10-Farnesatriene-3,14-diol, 14-O-(3-Hydroxy-3-methylbutanoyl) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038813	11,12-Dihydroxy-5,8,14-eicosatrienoic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038814	11,13-Labdadiene-6,7,8,15-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038815	11-Hydroxy-9-oxo-13-prostenoic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038816	13,14,15-Trihydroxy-8(17)-labden-3-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038817	15,16-Dihydroxy-8(17)-labden-18-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038818	15-Hydroxy-3,4-seco-4(18),7-labdadien-3-oic acid, 4,18-Dihydro, 15-carboxylic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038819	2,15,16,17-Kauranetetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038820	2,15,16-Trihydroxy-13-cleroden-3-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038821	2,15-Dihydroxy-1(10)-halimen-18-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038822	2,3,16,17-Kauranetetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038823	2,6,10,14-Phytatetraene-1,16,18,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038824	2,6,10,14-Phytatetraene-1,16,18,20-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038825	2,6,10,14-Phytatetraene-1,18,19,20-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038826	2,6,10,14-Phytatetraene-1,8,12,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038827	2,6-Dimethyl-2,6-octadiene-1,8-diol, Bis(3-methylbutanoyl) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038828	2,7,10-Cembratriene-4,6,12-triol, 12-Hydroperoxide 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038829	2,7,12(20)-Cembratriene-4,6,11-triol, 11-Hydroperoxide 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038830	2,8(19),12(20)-Cembratriene-4,6,7,11-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038831	2-Hydroxy-3-oxo-15-clerodanoic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038832	3,13-Clerodadiene-15,16,18,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038833	3,13-Clerodadiene-6,15,16,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038834	3,15-Dihydroxy-8(17)-labden-19-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038835	3,19-Dihydroxy-5-halimen-15-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038836	3,4-Dihydroxy-15-clerodanoic acid, 13,14-Didehydro (E-) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038837	3,4-Epoxy-13-clerodene-2,15-diol, 16-Hydroxy 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038838	3,7-Dolabelladien-18-ol, ?2-Isomer 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038839	3,8(17)-Dolabelladiene-2,7,16,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038840	3,8,15,16-Pimaranetetrol, 3-Ketone 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038841	3-Clerodene-15,18,19-triol, 15-Carboxylic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038842	4,15,16-Trihydroxy-4,5-seco-5-rosanone, 4-Deoxy, 4,18-didehydro, 4?,18-epoxide 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038843	4,8,11-Trihydroxy-2,12(20)-cembradien-6-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038844	5,14-Dihydroxy-3-visciden-20-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038845	5,16-Dihydroxy-3-visciden-20-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038846	5,8,9-Daucanetriol, 9-Angeloyl 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038847	5,8,9-Trihydroxy-13-labden-12-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038848	5-Rosene-2,3,15,16-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038849	5-Rosene-3,15,16,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038850	5-Rosene-3,15,16,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038851	5-Tridecyl-1,3-benzenediol; 2'R,8'S-Dihydroxy, 3-Me ether 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038852	6,13-Epoxy-3-eunicellene-8,9,12-triol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038853	6,13-Epoxy-4(18)-eunicellene-8,9,12-triol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038854	6,15-Dihydroxy-7-labden-17-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038855	6,15-Dihydroxy-8-labden-17-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038856	6,8-Dihydroxy-11-isopropyl-4,8-dimethyl-14-oxo-4,9-pentadecadienal 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038857	6,8-Dihydroxy-13-labden-15-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038858	6,8-Dihydroxy-15-labdanoic acid, 13E,14-Didehydro 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038859	6-Hydroxy-9,12-octadecadienoic acid, 6-Ac 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038860	7,13-Labdadiene-2,15,16,17-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038861	7,15-Dihydroxy-8-labden-17-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038862	7,18-Dihydroxy-8(17)-labden-15-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038863	7,8-Dihydroxy-13-labden-15-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038864	7-Labdene-2,3,15-triol, 15-Carboxylic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038865	7-Pimarene-2,15,16,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038866	7-Pimarene-3,15,16,17-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038867	7-Pimarene-3,15,16,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038868	8(14)-Abietene-7,12,13,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038869	8(14)-Abietene-7,13,15,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038870	8(14)-Daucene-4,6,9-triol, 6-(3-Methylbutanoyl) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038871	8(14)-Isopimarene-2,15,16,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038872	8(14)-Pimarene-2,15,16,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038873	8(14)-Pimarene-2,3,15,16-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038874	8(14)-Pimarene-6,15,16,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038875	8(17),13-Labdadiene-2,7,15,19-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038876	8(17)-Labdene-3,7,15-triol, 15-Carboxylic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038877	8,11-Epoxy-2,12(20)-cembradiene-4,6,7-triol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038878	8,11-Epoxy-4,12-dihydroxy-2-cembren-6-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038879	8,12-Epoxy-13-labden-1-ol, 6?,11?-Dihydroxy 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038880	8,12-Epoxy-13-labdene-15,16-diol, 13S,14S-Epoxide 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038881	8,12-Epoxy-13-labdene-15,16-diol, 13S,14R-Epoxide 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038882	8,13-Dihydroxy-14-labden-19-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038883	8,13-Epoxy-14,15-dihydroxy-3-labdanone 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038884	8,13-Epoxy-14-labdene-6,16,18-triol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038885	8,13-Epoxy-18-hydroxy-15-labdanoic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038886	8,13-Epoxy-3-hydroxy-15-labdanoic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038887	8,13-Epoxy-4-hydroxy-3,4-seco-14-labden-3-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038888	8,13-Labdadiene-2,6,15,18-tetrol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038889	8,15,19-Trihydroxy-13-labden-7-one 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038890	8,15-Dihydroxy-13-labden-19-oic acid 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038891	8,15-Epoxy-3,12,16-pimaranetriol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038892	8,9-Epoxy-4,6-daucanediol, 6-(3-Methylbutanoyl) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038893	8-Daucene-4,6,10-triol, 6-(2-Methylbutanoyl) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038894	8-Methylpodopyrone; 10'-Hydroxy 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038895	9-Daucene-4,6,8-triol, 6-(3-Methylbutanoyl) 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038896	Aphidicolin 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038897	Betaenone E 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038898	Cycloschkuriadiol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038899	Ebelactone A 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038900	Jewenol B 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038901	Neoconcinndiol hydroperoxide 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038902	Nuapapuin A; Me ester 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038903	Nuapapuin B 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038904	Plakortide J 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038905	Podoblastin A 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038906	Portulal; 19-Alcohol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038907	Sclerophytin A 	C20H34O4	338.245709	NA	MeJP	NA	NA
+MJ038908	Zoapatanol 	C20H34O4	338.245709	NA	MeJP	NA	NA
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	HMDB	NA	NA
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	HMDB	NA	NA
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	HMDB	NA	NA
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	HMDB	NA	NA
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	Inhouse_PFEM	NA	NA
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	Inhouse_PFEM	NA	NA
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	Inhouse_PFEM	NA	NA
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	Inhouse_PFEM	NA	NA
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR131	5,6-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR132	8,9-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR133	11,12-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR134	14,15-DHET	C20H34O4	338.24571	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR488	5,6-DHET F1	NA	338.247625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR488	5,6-DHET F1	NA	338.247625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR488	5,6-DHET F1	NA	338.247625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR488	5,6-DHET F1	NA	338.247625	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR488	5,6-DHET F1	C20H34O5	338.247625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ038909	5-[[(Octahydro-2H-quinolizin-1-yl)methyl]amino]-5-oxopentanoic acid, Butyl ester 	C19H34N2O3	338.256942	NA	MeJP	NA	NA
+MJ038910	3-(12-Phenyldodecyl)phenol 	C24H34O	338.260965	NA	MeJP	NA	NA
+C14915	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol	C24H34O	338.261	NA	KEGG	NA	NA
+C13772	Clofilium	C21H37ClN	338.2615	NA	KEGG	NA	NA
+MJ038911	3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 15',15',16',16'-Tetrahydro 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038912	3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 15',16'-Tetrahydro 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038913	3-(7-Hexadecenyl)-3,4-dihydro-4-hydroxy-5-methyl-2(5H)-furanone 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038914	3-Hexadecyl-5-hydroxy-5-methyl-2(5H)-furanone 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038915	3-Hexadecyldihydro-4-hydroxy-5-methylene-2(3H)-furanone 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038916	5-(8-Heptadecenyl)dihydro-3-hydroxy-2(3H)-furanone 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038917	5-Hexadecyl-5-methoxy-2(5H)-furanone 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038918	8-Hydroxy-18-labdanoic acid, Me ether 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038919	8-Labdene-3,7,15-triol, 3-Me ether 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038920	8-Labdene-3,7,15-triol, 7-Me ether 	C21H38O3	338.282095	NA	MeJP	NA	NA
+MJ038921	Plakortone B; 7,8,11,12-Tetrahydro 	C21H38O3	338.282095	NA	MeJP	NA	NA
+HMDB02068	Erucic acid	C22H42O2	338.31848	http://www.hmdb.ca/metabolites/HMDB02068	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02068	Erucic acid	C22H42O2	338.31848	http://www.hmdb.ca/metabolites/HMDB02068	HMDB	NA	NA
+HMDB02884	Cetoleic acid	C22H42O2	338.31848	http://www.hmdb.ca/metabolites/HMDB02884	HMDB	NA	NA
+MJ038922	11-Docosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038923	12-Docosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038924	13-Docosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038925	15-Docosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038926	16-Methyl-9-heptadecen-1-ol, 2-Methylpropanoyl 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038927	2,4-Dimethyl-2-eicosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038928	2-Docosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038929	22-Hydroxydocosanoic acid; Lactone 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038930	4,6-Docosanedione 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038931	5,7-Docosanedione 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038932	5-Docosenoic acid 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038933	6,8-Docosanedione 	C22H42O2	338.31848	NA	MeJP	NA	NA
+MJ038934	7,9-Docosanedione 	C22H42O2	338.31848	NA	MeJP	NA	NA
+HMDB02068	Erucic acid	C22H42O2	338.31848	http://www.hmdb.ca/metabolites/HMDB02068	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02068	Erucic acid	C22H42O2	338.31848	HMDB02068	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02884	Cetoleic acid	C22H42O2	338.31848	HMDB02884	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02068	Erucic acid	C22H42O2	338.318481	NA	HMDB2010	NA	NA
+HMDB02884	Cetoleic acid	C22H42O2	338.318481	NA	HMDB2010	NA	NA
+C08316	(13Z)-Docosenoic acid	C22H42O2	338.3185	NA	KEGG	NA	NA
+MJ038935	10-Tricosanone 	C23H46O	338.354866	NA	MeJP	NA	NA
+MJ038936	2-Methyltricosane 	C24H50	338.391251	NA	MeJP	NA	NA
+MJ038937	3-Methyltricosane 	C24H50	338.391251	NA	MeJP	NA	NA
+MJ038938	Tetracosane 	C24H50	338.391251	NA	MeJP	NA	NA
+3129	ester transferases inhibitor	WRMW	338.6497	MH2+	Inhouse_peptide	NA	peptide
+MJ038939	Dichloro(1,2-propanediamine-N,N')platinum 	C3H10Cl2N2Pt	338.986878	NA	MeJP	NA	NA
+C03789	N,6-O-Disulfo-D-glucosamine	C6H13NO11S2	338.993	NA	KEGG	NA	NA
+MetaCyc02989	N,6-O-disulfo-D-glucosamine []	C6H13N1O11S2	338.993002	NA	metacyc	NA	NA
+MJ038940	Clamidoxic acid 	C15H11Cl2NO4	339.006513	NA	MeJP	NA	NA
+MJ038941	Aclantate 	C15H14ClNO4S	339.033206	NA	MeJP	NA	NA
+HMDB06273	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate	C9H14N3O9P	339.046753	NA	HMDB2010	NA	NA
+HMDB12268	N5-Carboxyaminoimidazole ribonucleotide	C9H14N3O9P	339.046753	NA	HMDB2010	NA	NA
+MJ038942	5-Amino-1-(5-O-phosphono-?-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid 	C9H14N3O9P	339.046765	NA	MeJP	NA	NA
+MJ038943	1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate 	C9H14N3O9P	339.046765	NA	MeJP	NA	NA
+MetaCyc02990	4-carboxyaminoimidazole ribonucleotide [1-(5-phosphoribosyl)-4-carboxy-5-aminoimidazole;5'-P-ribosyl-4-carboxy-5-aminoimidazole;5'-phosphoribosyl-4-carboxy-5-aminoimidazole;5-phosphoribosyl-4-carboxy-5-aminoimidazole;1-(5'-phosphoribosyl)-5-amino-4-imidazole carboxylate;1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole;CAIR;5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate;phosphoribosyl-carboxy-aminoimidazole;]	C9H14N3O9P1	339.046766	NA	metacyc	NA	NA
+HMDB06273	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate	C9H14N3O9P	339.04678	http://www.hmdb.ca/metabolites/HMDB06273	HMDB	NA	NA
+HMDB06273	5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate	C9H14N3O9P	339.04678	HMDB06273	PFEM_hmdb_metabocards_official	NA	NA
+C04751	1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate	C9H14N3O9P	339.0468	NA	KEGG	NA	NA
+C15667	5-Carboxyamino-1-(5-phospho-D-ribosyl)imidazole	C9H14N3O9P	339.0468	NA	KEGG	NA	NA
+MJ038944	Cefacetrile 	C13H13N3O6S	339.052505	NA	MeJP	NA	NA
+MetaCyc02991	glutathione-sulfide []	C10H17N3O6S2	339.055877	NA	metacyc	NA	NA
+C17267	S-Sulfanylglutathione	C10H17N3O6S2	339.0559	NA	KEGG	NA	NA
+PJ000383	CCD 	C10H17N3O6S2	339.0559	NA	PeJP	NA	NA
+C04908	1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-	C14H18N3O2	339.0582	NA	KEGG	NA	NA
+C04909	alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-	C22H36O19R2	339.0582	NA	KEGG	NA	NA
+C04910	1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-	C45H79N2O23R	339.0582	NA	KEGG	NA	NA
+C04911	D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-	C56H96N3O31R	339.0582	NA	KEGG	NA	NA
+C04913	N-Acetyl-beta-D-galactosaminyl-1,4-beta-D-glucuronyl-N-acetyl-1,3-	C49H76N4O39R2	339.0582	NA	KEGG	NA	NA
+C04914	alpha-D-Mannosyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-	C26H44NO21R	339.0582	NA	KEGG	NA	NA
+MetaCyc02992	1-(4-hydroxy-2-methylpyrimid-5-ylmethyl)-3-(&beta;-hydroxyethyl)-2-methylpyridinium bromide []	C14H18N3O2BR1	339.058239	NA	metacyc	NA	NA
+MetaCyc02993	1-(5-phosphoribosyl)imidazole-4-acetate []	C10H16N2O9P1	339.059342	NA	metacyc	NA	NA
+MJ038945	Aristolactam C II; 9-Methoxy, 1'-carboxylic acid, O2-de-Me 	C18H13NO6	339.074287	NA	MeJP	NA	NA
+MJ038946	Sauvagnine; 3,4-Dihydro 	C18H13NO6	339.074287	NA	MeJP	NA	NA
+MJ038947	Sulfacecole 	C14H17N3O5S	339.088891	NA	MeJP	NA	NA
+PJ000384	SCM 	C11H21N3O5S2	339.0923	NA	PeJP	NA	NA
+HMDB10362	6-Hydroxy-5-methoxyindole glucuronide	C15H17NO8	339.095428	NA	HMDB2010	NA	NA
+HMDB10363	5-Hydroxy-6-methoxyindole glucuronide	C15H17NO8	339.095428	NA	HMDB2010	NA	NA
+HMDB05034	Topiramate	C12H21NO8S	339.098785	NA	HMDB2010	NA	NA
+MJ038948	2,3:4,5-Di-O-isopropylidenefructopyranose; ?-D-form, Sulfamoyl 	C12H21NO8S	339.098787	NA	MeJP	NA	NA
+MJ038949	Alliin; (R)C(S)S-form, N-(1-Deoxy-?-D-fructopyranosyl) 	C12H21NO8S	339.098787	NA	MeJP	NA	NA
+MJ038950	Clinacoside C 	C12H21NO8S	339.098787	NA	MeJP	NA	NA
+HMDB05034	Topiramate	C12H21NO8S	339.09879	http://www.hmdb.ca/metabolites/HMDB05034	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05034	Topiramate	C12H21NO8S	339.09879	http://www.hmdb.ca/metabolites/HMDB05034	HMDB	NA	NA
+HMDB05034	Topiramate	C12H21NO8S	339.09879	http://www.hmdb.ca/metabolites/HMDB05034	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05034	Topiramate	C12H21NO8S	339.09879	HMDB05034	PFEM_hmdb_metabocards_official	NA	NA
+C07502	Topiramate	C12H21NO8S	339.0988	NA	KEGG	NA	NA
+CJneg0540	Indoleacetyl glutamine [(M+Cl)]-	C15H17ClN3O4	339.099125	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0540	Indoleacetyl glutamine [(M+Cl)]-	C15H17ClN3O4	339.099125	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ038951	Vulgaxanthin II; 5-Amide 	C14H17N3O7	339.106649	NA	MeJP	NA	NA
+C08568	Vulgaxanthin-I	C14H17N3O7	339.1067	NA	KEGG	NA	NA
+MJ038952	3-(1,1-Dimethoxy-2-oxoethoxy)-9,10-dihydro-1-methoxy-9-oxo-4-acridinecarboxaldehyde 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038953	8-Oxopseudopalmatine; O2,O10-Di-de-Me 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038954	Aristolactam C II; 9-Methoxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038955	Aristoyagonine 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038956	Berbithine 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038957	Canadine, 8-Oxo, O9-de-Me 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038958	Cassythidine 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038959	Citracridone III 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038960	Crinasiadine; N-(3-Methoxycarbonylpropyl) 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038961	Dioxamine 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038962	Eschscholtzine, N-Oxide 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038963	Graveoline; 5',8-Dimethoxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038964	Guattescidine; 11-Methoxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038965	Guattescidine; 3-Methoxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038966	Imeluteine; O9-De-Me 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038967	Mofezolac 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038968	N-Desmethyl-1,2-dihydro-1-hydroxyacronycine; 1-Ketone, N-hydroxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038969	Nandigerine, N-Formyl 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038970	Norchelidonine 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038971	Ovigerine, 3-Methoxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038972	Reframidine, N-Oxide (R-) 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038973	Reframidine, N-Oxide (S-) 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038974	Rutacridone; 1',2'-Epoxide, 1-hydroxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038975	Rutacridone; 1',2'-Epoxide, 3'-hydroxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038976	Rutagravine 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038977	Sonodione; N-De-Me 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038978	Sonodione; O1-De-Me 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038979	Stylopine, 13?-Hydroxy 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038980	Tetrahydrothalifendine, 8-Oxo 	C19H17NO5	339.110672	NA	MeJP	NA	NA
+MJ038981	Cyprazepam 	C19H18ClN3O	339.113839	NA	MeJP	NA	NA
+MJ038982	Melithiazole C 	C16H21NO5S	339.114043	NA	MeJP	NA	NA
+MJ038983	Moguisteine 	C16H21NO5S	339.114043	NA	MeJP	NA	NA
+MJ038984	Anabaena flos-aquae Antibiotic 	C12H21NO10	339.116545	NA	MeJP	NA	NA
+MJ038985	Kanagawamicin 	C13H17N5O6	339.117883	NA	MeJP	NA	NA
+MJ038986	Loxoribine 	C13H17N5O6	339.117883	NA	MeJP	NA	NA
+MJ038987	Phosphinothricylalanylserine 	C11H22N3O7P	339.119536	NA	MeJP	NA	NA
+MJ038988	N-[[3-[5-(3-Formylphenyl)-2-pyridinyl]-2-oxo-5-oxazolidinyl]methyl]acetamide 	C18H17N3O4	339.121906	NA	MeJP	NA	NA
+MJ038989	Pinafide 	C18H17N3O4	339.121906	NA	MeJP	NA	NA
+MJ038990	Panipenem 	C15H21N3O4S	339.125276	NA	MeJP	NA	NA
+PJ000385	ACF 	C15H21N3O4S	339.1253	NA	PeJP	NA	NA
+C11152	Tetraphenylphosphonium	C24H20P	339.1303	NA	KEGG	NA	NA
+HMDB13200	5-Hydroxytryptophol glucuronide	C16H21NO7	339.131805	NA	HMDB2010	NA	NA
+MJ038991	Piriqualone 	C22H17N3O	339.137162	NA	MeJP	NA	NA
+7636	ACE inhibitor from k-CN (fr, 78-80)	SHP	339.142	antioxidative	Inhouse_peptide	NA	peptide
+8034	synthetic peptide	PHS	339.142	antibacterial	Inhouse_peptide	NA	peptide
+PJ000386	GTY 	C15H21N3O6	339.143	NA	PeJP	NA	NA
+MJ038992	1,2,3-Trihydroxyacridone; O2,N-Di-Me, 3-O-(3-methyl-2-butenyl) 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038993	1,3,5-Trihydroxy-2-prenylacridone; N,5-Di-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038994	Amurensine; Me ether 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038995	Bulbocapnine, Me ether 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038996	Buxifoline, N-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038997	Canadine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038998	Cavidine, O2-De-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ038999	Cavidine, O3-De-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039000	Cheilanthifoline, Me ether 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039001	Chilenamine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039002	Clausamine F; 1-Me ether 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039003	Corydine, 6a,7-Didehydro 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039004	Crebanine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039005	Crotonosine, Me ether, N-Ac 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039006	Dicentrine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039007	Eschscholtzidine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039008	Glaucine, N-De-Me, 6,6a-didehydro 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039009	Glycocitrine I 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039010	Goudotianine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039011	Haplophylline 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039012	Isopiline, Me ether, N-formyl 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039013	Litebamine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039014	Melosmine; 4,5-Dihydro 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039015	Nantenine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039016	Nuciferine, N-De-Me, N-methoxycarbonyl 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039017	Oliveridine, Me ether 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039018	Papaverine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039019	Podocarpamide 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039020	Reframoline, Me ether 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039021	Thalicthuberine; 3-O-De-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039022	Thalicthuberine; N-De-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039023	Thalictricavine, O10-De-Me 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MJ039024	Bulbocapnine, N-Me 	C20H22NO4(+)	339.147058	NA	MeJP	NA	NA
+MJ039025	Canadine, O10-De-Me, N-Me 	C20H22NO4(+)	339.147058	NA	MeJP	NA	NA
+MJ039026	Caryachine, N-Me 	C20H22NO4(+)	339.147058	NA	MeJP	NA	NA
+MJ039027	Domesticine, N-Me 	C20H22NO4(+)	339.147058	NA	MeJP	NA	NA
+MJ039028	Neocaryachine; N-Me 	C20H22NO4(+)	339.147058	NA	MeJP	NA	NA
+MJ039029	Papaverine; 3'-O-De-Me, N-Me 	C20H22NO4(+)	339.147058	NA	MeJP	NA	NA
+MJ039030	(S)-Canadine 	C20H21NO4	339.147058	NA	MeJP	NA	NA
+MetaCyc02994	S-canadine [(S)-tetrahydroberberine;(S)-tetrahydroprotoberberine;(S)-canadine;(S)-tetrahydroprotoberberine;(13aS)-5, 8, 13, 13a-tetrahydro-9, 10-dimethoxy-6H-benzo[g] -1,3-benzodioxolo[5, 6-a]quinolizine;]	C20H21N1O4	339.147058	5096-57-1	metacyc	NA	NA
+MetaCyc02995	(S)-canadine [(S)-7,8,13,14-tetrahydroprotoberberine;]	C20H21N1O4	339.147058	NA	metacyc	NA	NA
+MetaCyc02996	(R)-canadine []	C20H21N1O4	339.147058	NA	metacyc	NA	NA
+C03329	(S)-Canadine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C03330	(Ubiquitin)n-calmodulin	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C03336	17alpha-Hydroxysteroid	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C06533	Papaverine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C09426	Eschscholtzidine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C10666	Evoprenine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C11818	(R)-Canadine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C17426	Dicentrine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+C17898	Sinactine	C20H21NO4	339.1471	NA	KEGG	NA	NA
+MJ039031	Dorastine 	C20H22ClN3	339.150225	NA	MeJP	NA	NA
+MJ039032	Camiglibose 	C13H25NO9	339.152931	NA	MeJP	NA	NA
+MJ039033	Arginidiene 	C14H21N5O5	339.154268	NA	MeJP	NA	NA
+PJ000387	SPH 	C14H21N5O5	339.1543	NA	PeJP	NA	NA
+MetaCyc02997	nicotine-Glucuronide []	C16H23N2O6	339.155611	NA	metacyc	NA	NA
+3504	ACE inhibitor (bCN fr,59-64)	VYPFPG	339.162	MH2+	Inhouse_peptide	NA	peptide
+MJ039034	Neomycin G; 6-Deoxy, 6-amino 	C12H25N3O8	339.164164	NA	MeJP	NA	NA
+MJ039035	4-[2-(3,5-Dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione, 5R-Acetoxy 	C17H25NO6	339.168187	NA	MeJP	NA	NA
+MJ039036	Aucherine 	C17H25NO6	339.168187	NA	MeJP	NA	NA
+MJ039037	Croaegyptine 	C17H25NO6	339.168187	NA	MeJP	NA	NA
+C16903	Perazine	C20H25N3S	339.1769	NA	KEGG	NA	NA
+MJ039038	Perazine 	C20H25N3S	339.176918	NA	MeJP	NA	NA
+7988	synthetic peptide	LHA	339.179	hypotensive	Inhouse_peptide	NA	peptide
+C11775	Xamoterol	C16H25N3O5	339.1794	NA	KEGG	NA	NA
+MJ039039	Xamoterol 	C16H25N3O5	339.17942	NA	MeJP	NA	NA
+C07818	Mepenzolate	C21H25NO3	339.1834	NA	KEGG	NA	NA
+C08027	Nalmefene	C21H25NO3	339.1834	NA	KEGG	NA	NA
+C08028	Transferred to D00848	C21H25NO3	339.1834	NA	KEGG	NA	NA
+C15014	3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime	C21H25NO3	339.1834	NA	KEGG	NA	NA
+MJ039040	2-Methoxyatherosperminine 	C21H25NO3	339.183443	NA	MeJP	NA	NA
+MJ039041	Fissicesine 	C21H25NO3	339.183443	NA	MeJP	NA	NA
+MJ039042	Nalmefene 	C21H25NO3	339.183443	NA	MeJP	NA	NA
+MJ039043	Pipernonaline; 4,5-Didehydro 	C21H25NO3	339.183443	NA	MeJP	NA	NA
+MJ039044	Pipethanate 	C21H25NO3	339.183443	NA	MeJP	NA	NA
+MJ039045	Thalicsessine; N-De(2-hydroxyethyl), N-Me 	C21H25NO3	339.183443	NA	MeJP	NA	NA
+MJ039046	Poldine 	C21H26NO3(+)	339.183443	NA	MeJP	NA	NA
+3562	NA	RKNVY	339.18445	MH2+	Inhouse_peptide	NA	peptide
+MJ039047	Penthienate 	C18H30NO3S(+)	339.186814	NA	MeJP	NA	NA
+PJ000388	ALH 	C15H25N5O4	339.1907	NA	PeJP	NA	NA
+MJ039048	Methylergometrine 	C20H25N3O2	339.194677	NA	MeJP	NA	NA
+MJ039049	Propisergide 	C20H25N3O2	339.194677	NA	MeJP	NA	NA
+MJ039050	Makalika ester 	C19H30ClNO2	339.196506	NA	MeJP	NA	NA
+MJ039051	Lysylhistidylglycine; L-L-form, Amide 	C14H25N7O3	339.201887	NA	MeJP	NA	NA
+MJ039052	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 6-O-(3-Methylbutanoyl), 3-O-tigloyl 	C18H29NO5	339.204573	NA	MeJP	NA	NA
+MJ039053	2-(Benzylidenehydrazino)-4-tert-butyl-6-(1-piperazinyl)-1,3,5-triazine 	C18H25N7	339.217143	NA	MeJP	NA	NA
+C07406	Propoxyphene	C22H29NO2	339.2198	NA	KEGG	NA	NA
+C10156	Lobelanidine	C22H29NO2	339.2198	NA	KEGG	NA	NA
+C16661	L-alpha-Acetyl-N-normethadol	C22H29NO2	339.2198	NA	KEGG	NA	NA
+MJ039054	?-(4-Hydroxyphenyl)-?-methyl-4-(phenylmethyl)-1-piperidinepropanol 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039055	Didymeline 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039056	Dysidea benzoxazole 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039057	Holadienine; 14,15-Didehydro, 18?-hydroxy 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039058	Holadienine; 18-Oxo 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039059	Lobelanidine 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039060	Noracymethadol 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039061	Propoxyphene 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039062	Spiradine D 	C22H29NO2	339.219829	NA	MeJP	NA	NA
+MJ039063	Disopyramide 	C21H29N3O	339.231062	NA	MeJP	NA	NA
+MJ039064	N-Methyl-3-(1-methylethoxy)-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyridinamine 	C21H29N3O	339.231062	NA	MeJP	NA	NA
+C06965	Disopyramide	C21H29N3O	339.2311	NA	KEGG	NA	NA
+C06966	Transferred to D00304	C21H29N3O	339.2311	NA	KEGG	NA	NA
+MJ039065	2-(3-Hydroxy-1-octenyl)-5-oxo-1-pyrrolidineheptanoic acid 	C19H33NO4	339.240958	NA	MeJP	NA	NA
+MJ039066	2-(Aminomethyl)-2-propenoic acid; N-(2-Oxotetradecanoyl), Me ester 	C19H33NO4	339.240958	NA	MeJP	NA	NA
+MJ039067	Pumiliotoxin A, 7?, 7'S-Dihydroxy 	C19H33NO4	339.240958	NA	MeJP	NA	NA
+MJ039068	Pumiliotoxin A, 7?, 7'S-Dihydroxy 	C19H33NO4	339.240958	NA	MeJP	NA	NA
+MJ039069	Tumonoic acid A 	C19H33NO4	339.240958	NA	MeJP	NA	NA
+C16956	Evocarpine	C23H33NO	339.2562	NA	KEGG	NA	NA
+MJ039070	2-Tridecyl-4(1H)-quinolinone; 7',8'-Didehydro, N-Me (Z-) 	C23H33NO	339.256214	NA	MeJP	NA	NA
+MJ039071	2-Tridecyl-4(1H)-quinolinone; 8',9'-Didehydro, N-Me 	C23H33NO	339.256214	NA	MeJP	NA	NA
+MJ039072	Polyveoline 	C23H33NO	339.256214	NA	MeJP	NA	NA
+HMDB13631	Oleoyl glycine	C20H37NO3	339.277344	NA	HMDB2010	NA	NA
+MJ039073	2-(Aminomethyl)-2-propenoic acid; N-Hexadecanoyl 	C20H37NO3	339.277344	NA	MeJP	NA	NA
+MJ039074	2-(Aminomethyl)-2-propenoic acid; N-Pentadecanoyl, Me ester 	C20H37NO3	339.277344	NA	MeJP	NA	NA
+MJ039075	3-Aminodihydro-2(3H)-furanone, N-Hexadecanoyl 	C20H37NO3	339.277344	NA	MeJP	NA	NA
+MJ039076	Rociverine 	C20H37NO3	339.277344	NA	MeJP	NA	NA
+HMDB00583	Docosanamide	C22H45NO	339.350128	NA	HMDB2010	NA	NA
+HMDB00583	Docosanamide	C22H45NO	339.35013	http://www.hmdb.ca/metabolites/HMDB00583	HMDB	NA	NA
+HMDB00583	Docosanamide	C22H45NO	339.35013	HMDB00583	PFEM_hmdb_metabocards_official	NA	NA
+MJ039077	Hexetidine 	C21H45N3	339.361348	NA	MeJP	NA	NA
+8086	peptide derived from tuna cooking juice	PKAVHE	339.6755	MH2+	Inhouse_peptide	NA	peptide
+3054	NA	RKDVY	339.67645	MH2+	Inhouse_peptide	NA	peptide
+MJ039078	1,1-Dibromo-3-iodo-2-propanone 	C3H3Br2IO	339.759533	NA	MeJP	NA	NA
+C11044	2,2',4,4',5-Pentachlorodiphenyl ether	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14372	2-Hydroxy-2',3',4',5,5'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14373	4-Hydroxy-2,2',3',4',5'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14374	4-Hydroxy-2,2',3',4',6'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14375	4-Hydroxy-2,2',3',5',6'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14377	4-Hydroxy-2',3,3',4',5'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14378	4-Hydroxy-2',3,3',4',6'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14379	4-Hydroxy-2',3,3',5',6'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14381	4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14471	4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14729	2',3,3',4',5-Pentachloro-4-biphenylol	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+C14756	2,2',3,6,6'-Pentachloro-4-biphenylol	C12H5Cl5O	339.8783	NA	KEGG	NA	NA
+MJ039079	2,4-Dichloro-1,5,8-trihydroxy-6-methylxanthone; 5-Me ether 	C15H10Cl2O5	339.990528	NA	MeJP	NA	NA
+MJ039080	2,4-Dichloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether 	C15H10Cl2O5	339.990528	NA	MeJP	NA	NA
+MJ039081	2,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether 	C15H10Cl2O5	339.990528	NA	MeJP	NA	NA
+MJ039082	4,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether 	C15H10Cl2O5	339.990528	NA	MeJP	NA	NA
+C00354	D-Fructose 1,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C00660	D-Glucose 1,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C00665	beta-D-Fructose 2,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C01220	1D-myo-Inositol 1,4-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C01231	alpha-D-Glucose 1,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C03693	D-Mannose 1,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C03701	Glycosyl-N-acylsphingosine	C25H46NO8R	339.996	NA	KEGG	NA	NA
+C03702	Histone N6-methyl-L-lysine	C8H15N3O2R2	339.996	NA	KEGG	NA	NA
+C03785	D-Tagatose 1,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C03786	Deoxynucleoside diphosphate	C5H11O9P2R	339.996	NA	KEGG	NA	NA
+C03788	Microsomal-membrane protein	C4H6N2O3R2	339.996	NA	KEGG	NA	NA
+C04062	D-myo-Inositol 1,3-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C04063	D-myo-Inositol 3,4-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C04064	D-myo-Inositol 4,5-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+C05378	beta-D-Fructose 1,6-bisphosphate	C6H14O12P2	339.996	NA	KEGG	NA	NA
+MJ039083	1D-myo-Inositol 1,4-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039084	D-Fructose 1,6-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039085	D-Fructose 2,6-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039086	D-Tagatose 1,6-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039087	D-myo-Inositol 1,3-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039088	D-myo-Inositol 3,4-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039089	D-myo-Inositol 4,5-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039090	alpha-D-Glucose 1,6-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039091	beta-D-Fructose 1,6-bisphosphate 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039092	Fructose 1,6-bis(dihydrogen phosphate) 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MJ039093	Glucose 1,6-diphosphate; ?-D-Pyranose-form 	C6H14O12P2	339.996048	NA	MeJP	NA	NA
+MetaCyc02998	&beta;-D-fructose 2,6-bisphosphate []	C6H14O12P2	339.996049	NA	metacyc	NA	NA
+MetaCyc02999	&beta;-glucose-1,6-diphosphate []	C6H14O12P2	339.996049	NA	metacyc	NA	NA
+MetaCyc03000	&alpha;-glucose-1,6-bisphosphate [&alpha;-D-glucose-1,6-P2;glucose-1,6-diphosphate;D-Glucose 1,6-bisphosphate;D-glucose 1,6-biphosphate;&alpha;-D-glucopyranose, 1,6-bis(dihydrogen phosphate);glucose-1,6-bisphosphate;]	C6H14O12P2	339.996049	10139-18-1	metacyc	NA	NA
+MetaCyc03001	tagatose-1,6-bisphosphate [tagatose-1,6-diphosphate;D-Tagatose 1,6-bisphosphate;]	C6H14O12P2	339.996049	NA	metacyc	NA	NA
+MetaCyc03002	fructose-1,6-bisphosphate [fructose-1,6-biphosphate;fructose-1,6-diphosphate;&alpha;-D-fructose-1,6-diphosphate;D-fructose-1,6-diphosphate;D-fructose-1,6-bisphosphate;]	C6H14O12P2	339.996049	488-69-7	metacyc	NA	NA
+HMDB03514	alpha-D-Glucose 1,6-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB03514	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00968	1D-Myo-inositol 1,4-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB00968	HMDB	NA	NA
+HMDB01047	D-Fructose 2,6-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB01047	HMDB	NA	NA
+HMDB03514	alpha-D-Glucose 1,6-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB03514	HMDB	NA	NA
+HMDB06234	1D-myo-Inositol 1,3-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB06234	HMDB	NA	NA
+HMDB06235	1D-myo-Inositol 3,4-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB06235	HMDB	NA	NA
+HMDB06872	D-Tagatose 1,6-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB06872	HMDB	NA	NA
+HMDB03514	alpha-D-Glucose 1,6-bisphosphate	C6H14O12P2	339.99606	http://www.hmdb.ca/metabolites/HMDB03514	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00968	1D-Myo-inositol 1,4-bisphosphate	C6H14O12P2	339.99606	HMDB00968	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01047	D-Fructose 2,6-bisphosphate	C6H14O12P2	339.99606	HMDB01047	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03514	alpha-D-Glucose 1,6-bisphosphate	C6H14O12P2	339.99606	HMDB03514	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06234	1D-myo-Inositol 1,3-bisphosphate	C6H14O12P2	339.99606	HMDB06234	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06235	1D-myo-Inositol 3,4-bisphosphate	C6H14O12P2	339.99606	HMDB06235	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06872	D-Tagatose 1,6-bisphosphate	C6H14O12P2	339.99606	HMDB06872	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00968	1D-Myo-inositol 1,4-bisphosphate	C6H14O12P2	339.996063	NA	HMDB2010	NA	NA
+HMDB01047	D-Fructose 2,6-bisphosphate	C6H14O12P2	339.996063	NA	HMDB2010	NA	NA
+HMDB03514	Alpha-D-Glucose 1,6-bisphosphate	C6H14O12P2	339.996063	NA	HMDB2010	NA	NA
+HMDB06234	1D-Myo-inositol 1,3-bisphosphate	C6H14O12P2	339.996063	NA	HMDB2010	NA	NA
+HMDB06235	1D-Myo-inositol 3,4-bisphosphate	C6H14O12P2	339.996063	NA	HMDB2010	NA	NA
+HMDB06872	D-Tagatose 1,6-bisphosphate	C6H14O12P2	339.996063	NA	HMDB2010	NA	NA
+MetaCyc03003	p-hydroxymercuribenzoate [p-hydroxymercuribenzoic acid;(p-carboxyphenyl)hydroxymercury;(4-carboxylatophenyl)hydroxymercurate(1-) hydrogen;mercury, (p-carboxyphenyl)hydroxy-;mercurate(1-), (4-carboxylateophenyl)hydroxy-, hydrogen (9Cl);]	C7H6O3HG1	340.00232	NA	metacyc	NA	NA
+C03779	Bis-4-nitrophenyl phosphate	C12H9N2O8P	340.0097	NA	KEGG	NA	NA
+C03780	Blood coagulation Factor Va	C12H9N2O8P	340.0097	NA	KEGG	NA	NA
+C03781	Complement subcomponent C1s	C12H9N2O8P	340.0097	NA	KEGG	NA	NA
+MJ039094	Agelastatin A 	C12H13BrN4O3	340.017102	NA	MeJP	NA	NA
+C11021	Diclofop methyl	C16H14Cl2O4	340.0269	NA	KEGG	NA	NA
+MJ039095	Defosfamide 	C9H20Cl3N2O3P	340.027712	NA	MeJP	NA	NA
+MJ039096	3-Bromo-4-oxo-4-[4-(pentyloxy)phenyl]-2-butenoic acid 	C15H17BrO4	340.031021	NA	MeJP	NA	NA
+MetaCyc03004	(6S)-6-fluoro-EPSP [(6S)-6-fluoro-5-enolpyruvylshikimate-3-phosphate;]	C11H14O9F1P1	340.035947	NA	metacyc	NA	NA
+MetaCyc03005	(6R)-6-fluoro-EPSP [(6R)-6-fluoro-5-enolpyruvylshikimate 3-phosphate;]	C11H14O9F1P1	340.035947	NA	metacyc	NA	NA
+FL3FECNS0018	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone	C18H12O7	340.0583	97640-84-1	knapsack	NA	NA
+FL5FPTNS0007	Pulcherrimin;7-Hydroxy-9-methoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one	C18H12O7	340.0583	89945-86-8	knapsack	NA	NA
+MJ039097	3',4',5,6,7-Pentahydroxyflavone; 3',4':5,6-Bismethylene, 7-Me ether 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039098	3,11-Dihydro-5-hydroxy-11,11-dimethyl-1,3-dioxo-1H-furo[3,4-d]naphtho[1,2-b]pyran-4-carboxylic acid 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039099	3-Acetyl-4,5-dihydroxyanthraquinone-2-acetic acid 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039100	Atromentic acid 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039101	Austocystin I 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039102	Dothistromin; 2,3a-Dideoxy 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039103	Dothistromin; 2,9-Dideoxy 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039104	Grevilline A; 3''-Hydroxy 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039105	Noraustrocorticin 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039106	Premnalatin 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039107	Pulcherrimin 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039108	Salvianolic acid G 	C18H12O7	340.058302	NA	MeJP	NA	NA
+MJ039109	Versicolorin A, 2,3-Dihydro 	C18H12O7	340.058302	NA	MeJP	NA	NA
+C17400	Asparenomycin A	C14H16N2O6S	340.0729	NA	KEGG	NA	NA
+MJ039110	Asparenomycin C; S-Oxide 	C14H16N2O6S	340.072906	NA	MeJP	NA	NA
+MJ039111	2-Butyl-4-chloro-1-[(2-chlorophenyl)methyl]-1H-imidazole-5-acetic acid 	C16H18Cl2N2O2	340.074533	NA	MeJP	NA	NA
+MJ039112	Valconazole 	C16H18Cl2N2O2	340.074533	NA	MeJP	NA	NA
+C01421	Daphnin	C15H16O9	340.0794	NA	KEGG	NA	NA
+C02887	Sinapoyl malate	C15H16O9	340.0794	NA	KEGG	NA	NA
+C09206	Cichoriin	C15H16O9	340.0794	NA	KEGG	NA	NA
+C09264	Esculin	C15H16O9	340.0794	NA	KEGG	NA	NA
+MJ039113	2-Hydroxy-2-(hydroxymethyl)butanedioic acid, 1'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039114	3,5,7-Trihydroxy-4H-1-benzopyran-4-one; 3-O-?-L-Rhamnopyranoside 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039115	5,7-Dihydroxy-4H-1-benzopyran-4-one; 7-O-?-Glucopyranoside 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039116	6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-?-D-Glucopyranoside 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039117	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039118	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039119	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-?-D-Glucopyranoside 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039120	Dauroside D 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MJ039121	Leucodrin; 3'-Hydroxy 	C15H16O9	340.079432	NA	MeJP	NA	NA
+MetaCyc03006	sinapoyl-(S)-malate []	C15H16O9	340.079432	NA	metacyc	NA	NA
+MetaCyc03007	daphnin []	C15H16O9	340.079432	486-55-5	metacyc	NA	NA
+MJ039122	Tenilapine 	C17H16N4S2	340.081637	NA	MeJP	NA	NA
+MJ039123	Vulgaxanthin II 	C14H16N2O8	340.090665	NA	MeJP	NA	NA
+C08569	Vulgaxanthin-II	C14H16N2O8	340.0907	NA	KEGG	NA	NA
+MJ039124	3,4-Dihydro-7-methoxy-2-[(methylthio)methyl]-3-thioxo-1(2H)-quinoxalinecarboxylic acid, Isopropyl ester 	C15H20N2O3S2	340.091533	NA	MeJP	NA	NA
+MJ039125	3,4-Dihydro-8-methoxy-2-[(methylthio)methyl]-3-thioxo-1(2H)-quinoxalinecarboxylic acid, Isopropyl ester 	C15H20N2O3S2	340.091533	NA	MeJP	NA	NA
+MJ039126	3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione 	C15H20N2O3S2	340.091533	NA	MeJP	NA	NA
+MJ039127	Rhizopterin 	C15H12N6O4	340.092002	NA	MeJP	NA	NA
+FLICUNNS0001	Ambanol	C19H16O6	340.09468	63838-66-4	knapsack	NA	NA
+MJ039128	1,8-Dihydroxy-3,6-dimethoxy-2-methyl-7-vinylanthraquinone 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039129	2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-benzofuranpropanoic acid; 3',4'-Methylene, 7-Me ether 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039130	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-Ac 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039131	4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-Ac 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039132	4,4'-Oxybis[3-phenyl-2-propenoic acid], 3-Methoxy 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039133	6,9,10-Trihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one; 6-Me ether 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039134	6-Aldehydoisoophiopogone B 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039135	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-Methoxy, Me ester 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039136	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 7-Methoxy, Me ester 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039137	8-[2-(2-Furanyl)-2-oxoethyl]-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039138	Ambanol 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039139	Antibiotic 792 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039140	Atrovenetinone 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039141	Egonol; 1''-Oxo 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039142	Excavatin D, 2'-Oxo, ?3',10'-isomer 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039143	Forbexanthone 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039144	Isojacareubin; 5-Me ether 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039145	Jacareubin; 5-Me ether 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039146	Methylophiopogonone A 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039147	Ochracenomicin A 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039148	Psorospermin 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039149	Sterigmatocystin; 1,2-Dihydro, Me ether 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039150	Toxyloxanthone B; 5-Me ether 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MJ039151	Virgatyne 	C19H16O6	340.094688	NA	MeJP	NA	NA
+MetaCyc03008	dihydro-O-methylsterigmatocystin []	C19H16O6	340.094688	NA	metacyc	NA	NA
+C10090	Psorospermin	C19H16O6	340.0947	NA	KEGG	NA	NA
+C17473	Methylophiopogonone A	C19H16O6	340.0947	NA	KEGG	NA	NA
+C14877	S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine	C12H16N6O4S	340.0954	NA	KEGG	NA	NA
+HMDB01030	3'-Ketolactose	C12H20O11	340.100555	NA	HMDB2010	NA	NA
+HMDB01030	3'-Ketolactose	C12H20O11	340.10056	http://www.hmdb.ca/metabolites/HMDB01030	HMDB	NA	NA
+HMDB01030	3'-Ketolactose	C12H20O11	340.10056	HMDB01030	PFEM_hmdb_metabocards_official	NA	NA
+MJ039152	2-O-?-D-Galactopyranuronosyl-L-rhamnose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039153	2-O-?-D-Glucopyranuronosyl-D-lyxose; 4'-O-Me 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039154	2-O-?-D-Glucopyranuronosyl-L-rhamnose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039155	3-O-?-D-Glucopyranuronosyl-L-rhamnose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039156	3-O-?-D-Glucopyranuronosyl-D-xylose; Pyranose-form, 4'-Me 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039157	3-O-?-D-Glucopyranuronosyl-L-arabinose; O4'-Me 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039158	3-O-?-D-Glucopyranuronosyl-L-rhamnose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039159	4-O-?-D-Glucopyranuronosyl-L-fucose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039160	4-O-?-D-Glucopyranuronosyl-L-rhamnose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039161	4-O-?-D-Glucopyranuronosyl-L-arabinose; 4'-Me 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MJ039162	3-Ketolactose 	C12H20O11	340.100561	NA	MeJP	NA	NA
+MetaCyc03009	3'-dehydro-&alpha;-D-glucosyl-&beta;-D-fructofuranoside [&alpha;-D-ribo-hexopyranosyl-3-ulose-&beta;-D-fructofuranoside;3'-ketosucrose;]	C12H20O11	340.100561	NA	metacyc	NA	NA
+MetaCyc03010	cellobiono-1,5-lactone [Cellobiose-1,5-lactone;]	C12H20O11	340.100561	NA	metacyc	NA	NA
+MetaCyc03011	3'-ketolactose [3'-dehydro-&beta;-D-galactosyl-&beta;-D-glucopyranoside;]	C12H20O11	340.100561	NA	metacyc	NA	NA
+C01093	Cellobiono-1,5-lactone	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05403	3-Ketolactose	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05731	3-Ketosucrose	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05734	Glycogen amylose chain(n)	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05735	Glycogen amylopectin chain(n)	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05737	Maltose 6-phosphate	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05742	Glycogen amylose chain(n)-1,6-amylose chain(4)	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05743	Glycogen amylose chain-1,6-alpha-D-glucose	C12H20O11	340.1006	NA	KEGG	NA	NA
+C05744	Acetoacetyl-[acp]	C4H5O2SR	340.1006	NA	KEGG	NA	NA
+C05745	Butyryl-[acp]	C4H7OSR	340.1006	NA	KEGG	NA	NA
+C05746	3-Oxohexanoyl-[acp]	C6H9O2SR	340.1006	NA	KEGG	NA	NA
+C05747	(R)-3-Hydroxyhexanoyl-[acp]	C6H11O2SR	340.1006	NA	KEGG	NA	NA
+C05748	trans-Hex-2-enoyl-[acp]	C6H9OSR	340.1006	NA	KEGG	NA	NA
+C05749	Hexanoyl-[acp]	C6H11OSR	340.1006	NA	KEGG	NA	NA
+C05750	3-Oxooctanoyl-[acp]	C8H13O2SR	340.1006	NA	KEGG	NA	NA
+C05751	trans-Oct-2-enoyl-[acp]	C8H13OSR	340.1006	NA	KEGG	NA	NA
+C05752	Octanoyl-[acp]	C8H15OSR	340.1006	NA	KEGG	NA	NA
+C05753	3-Oxodecanoyl-[acp]	C10H17O2SR	340.1006	NA	KEGG	NA	NA
+C05754	trans-Dec-2-enoyl-[acp]	C10H17OSR	340.1006	NA	KEGG	NA	NA
+C05755	Decanoyl-[acp]	C10H19OSR	340.1006	NA	KEGG	NA	NA
+C05756	3-Oxododecanoyl-[acp]	C12H21O2SR	340.1006	NA	KEGG	NA	NA
+C05757	(R)-3-Hydroxydodecanoyl-[acp]	C12H23O2SR	340.1006	NA	KEGG	NA	NA
+C05758	trans-Dodec-2-enoyl-[acp]	C12H21OSR	340.1006	NA	KEGG	NA	NA
+C05759	3-Oxotetradecanoyl-[acp]	C14H25O2SR	340.1006	NA	KEGG	NA	NA
+C05760	trans-Tetradec-2-enoyl-[acp]	C14H25OSR	340.1006	NA	KEGG	NA	NA
+C05761	Tetradecanoyl-[acp]	C14H27OSR	340.1006	NA	KEGG	NA	NA
+C05762	3-Oxohexadecanoyl-[acp]	C16H29O2SR	340.1006	NA	KEGG	NA	NA
+C05763	trans-Hexadec-2-enoyl-[acp]	C16H29OSR	340.1006	NA	KEGG	NA	NA
+C05764	Hexadecanoyl-[acp]	C16H31OSR	340.1006	NA	KEGG	NA	NA
+MetaCyc03012	1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chloro- [N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide;N-(6-Aminohexyl)-5-chloro-1-naphthalenesulphonamide;]	C16H21N2O2S1CL1	340.101226	NA	metacyc	NA	NA
+MJ039163	Picrasidine E 	C18H16N2O5	340.105921	NA	MeJP	NA	NA
+MJ039164	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Deoxy, 13-chloro, 3-Ac 	C17H21ClO5	340.107751	NA	MeJP	NA	NA
+MJ039165	Diphenadione 	C23H16O3	340.109944	NA	MeJP	NA	NA
+MJ039166	3-(2-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside, Me ester 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MJ039167	3-(4-Hydroxyphenyl)-2-propenoic acid, O-(2-O-Methyl-?-D-glucopyranoside) 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MJ039168	3-(4-Hydroxyphenyl)-2-propenoic acid, O-?-D-Glucopyranoside, Me ester 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MJ039169	5-(2-Propenyl)-1,2,3-benzenetriol; 1,2-Methylene ether, 3-O-?-D-glucopyranoside 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MJ039170	Allamancin; O3-Me 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MJ039171	Coniferaldehyde, 4'-O-?-D-Glucopyranoside 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MJ039172	Macrosphelide A; 15-Ketone 	C16H20O8	340.115817	NA	MeJP	NA	NA
+MetaCyc03013	coniferaldehyde glucoside [coniferyl aldehyde-4-O-&beta;-D-glucopyranoside;]	C16H20O8	340.115818	NA	metacyc	NA	NA
+FL1C1ANF0002	Bakuchalcone	C20H20O5	340.13107	84575-13-3	knapsack	NA	NA
+FL1C1ANI0014	Broussochalcone A	C20H20O5	340.13107	99217-68-2	knapsack	NA	NA
+FL1C1ANI0025	3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone	C20H20O5	340.13107	336128-90-6	knapsack	NA	NA
+FL1C1ANP0003	Bavachromanol	C20H20O5	340.13107	74061-77-1	knapsack	NA	NA
+FL1C1ANP0015	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone;3',4'-(3-Hydroxy-2,2-dimethyldihydropyrano)-4,2'-dihydroxychalcone	C20H20O5	340.13107	441772-65-2	knapsack	NA	NA
+FL1C1LNI0001	Morachalcone A	C20H20O5	340.13107	76472-88-3	knapsack	NA	NA
+FL1CA9NP0001	Helikrausichalcone	C20H20O5	340.13107	122585-71-1	knapsack	NA	NA
+FL1CAANI0001	4,2',6'-Trihydroxy-4'-prenyloxychalcone	C20H20O5	340.13107	94393-11-0	knapsack	NA	NA
+FL1CHYNI0002	5'-Prenyllicodione	C20H20O5	340.13107	107390-47-6	knapsack	NA	NA
+FL1CHYNI0003	Kanzonol A	C20H20O5	340.13107	155233-18-4	knapsack	NA	NA
+FL1D1CNP0002	Crotin (chalcone);3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']dihydrochalcone	C20H20O5	340.13107	255831-48-2	knapsack	NA	NA
+FL2F1ANF0001	Brosimacutin E	C20H20O5	340.13107	350221-49-7	knapsack	NA	NA
+FL2F1ANP0006	Brosimacutin D	C20H20O5	340.13107	350221-48-6	knapsack	NA	NA
+FL2F1LNI0002	Euchrenone a7	C20H20O5	340.13107	130252-50-5	knapsack	NA	NA
+FL2FA8NI0006	Kushenol S;5,7,2'-Trihydroxy-8-prenylflavanone	C20H20O5	340.13107	254886-72-1	knapsack	NA	NA
+FL2FA9NI0002	5-Hydroxy-7-(3-methyl-2,3-epoxybutoxy)flavanone	C20H20O5	340.13107	94390-14-4	knapsack	NA	NA
+FL2FA9NI0005	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone	C20H20O5	340.13107	74161-06-1	knapsack	NA	NA
+FL2FAANF0005	5,4,-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone	C20H20O5	340.13107	192572-99-9	knapsack	NA	NA
+FL2FAANI0003	6-Prenylnaringenin	C20H20O5	340.13107	68236-13-5	knapsack	NA	NA
+FL2FAANI0004	Selinone	C20H20O5	340.13107	14117-54-5	knapsack	NA	NA
+FL2FAANI0005	Sophoraflavanone B	C20H20O5	340.13107	72357-32-5	knapsack	NA	NA
+FL2FAANI0006	5,4'-Dihydroxy-7-O-prenylflavanone	C20H20O5	340.13107	68236-14-6	knapsack	NA	NA
+FL2FAANI0014	Licoflavanone	C20H20O5	340.13107	119240-82-3	knapsack	NA	NA
+FL2FAANI0022	(2S)-5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone	C20H20O5	340.13107	192572-93-3	knapsack	NA	NA
+FL2FAANI0023	Ugonin E;5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone	C20H20O5	340.13107	651304-84-6	knapsack	NA	NA
+FL4DA9NI0001	Glepidotin B	C20H20O5	340.13107	87440-56-0	knapsack	NA	NA
+FL4DA9NI0002	(2R,3S)-3,5,7-Trihydroxy-6-prenylflavanone	C20H20O5	340.13107	89648-66-8	knapsack	NA	NA
+FLIB1LNI0001	(+-)-5-Deoxykievitone	C20H20O5	340.13107	74161-24-3	knapsack	NA	NA
+FLIBAANI0001	(+)-Dihydrowighteone;(+)-5,7,4'-Trihydroxy-6-prenylisoflavanone	C20H20O5	340.13107	108026-27-3	knapsack	NA	NA
+FLID1ANI0004	Dolichin A	C20H20O5	340.13107	78919-15-0	knapsack	NA	NA
+FLID1ANI0005	Dolichin B	C20H20O5	340.13107	78859-49-1	knapsack	NA	NA
+FLIDHXNI0002	Sandwicarpin;6a-Hydroxyphaseollidin	C20H20O5	340.13107	74515-45-0	knapsack	NA	NA
+FLIDHXNI0003	Glyceocarpin;Glyceollidin II;3,6a,9-Trihydroxy-2-prenylpterocarpan	C20H20O5	340.13107	77979-22-7	knapsack	NA	NA
+FLIDHXNI0004	Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan	C20H20O5	340.13107	77979-21-6	knapsack	NA	NA
+FLII1LNI0001	Licocoumarone	C20H20O5	340.13107	118524-14-4	knapsack	NA	NA
+MJ039173	1,3,5-Trihydroxy-2-prenylxanthone; 3,5-Di-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039174	1,3,5-Trihydroxy-4-prenylxanthone; 3,5-Di-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039175	1,3,7-Trihydroxy-2-prenylxanthone; 3,7-Di-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039176	1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039177	10-(3-Methyl-2-butenoyl)spatheliachromen 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039178	10-Isopentenylemodinanthran-10-ol 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039179	12,17:15,16-Diepoxy-7-oxo-3,8(17),13(16),14-clerodatetraen-18,19-olide 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039180	12-Hydroxy-11,14-dioxo-1(10),7,9(20),12-icetexatetraen-19,6-olide; 6?-form 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039181	15,16-Epoxy-1,3,13(16),14-clerodatetraene-17,12:18,19-diolide 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039182	15,16-Epoxy-1,3,13(16),14-clerodatetraene-17,12:18,6-diolide 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039183	15,16-Epoxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, 1,10-Didehydro 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039184	15,16-Epoxy-3,8(17),13(16),14-clerodatetraene-18,19:20,12-diolide 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039185	17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 6,14-Dihydroxy, 15,16-didehydro 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039186	2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 5-Deoxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039187	2',4',7-Trihydroxy-3'-prenylisoflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039188	2',4',7-Trihydroxy-8-prenylflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039189	2',4,4',6'-Tetrahydroxy-3'-prenylchalcone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039190	2',4,4',6'-Tetrahydroxychalcone; 4'-O-(3-Methyl-2-butenyl) 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039191	2',4,4'-Trihydroxy-5'-prenylchalcone; 3-Hydroxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039192	2',5,7-Trihydroxy-8-prenylflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039193	2,2',4,4'-Tetrahydroxy-3'-prenylchalcone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039194	2,3,6,7-Tetrahydro-4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-5-one 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039195	2,8-Dihydroxy-1-hydroxymethyl-3-methylxanthone; 2-O-(3-Methyl-2-butenyl) 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039196	2-(2,4-Dihydroxyphenyl)-5-benzofuranpropanol; 2'-Me ether, 3''-Ac 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039197	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3-methyl-7-(2-propenyl)-4,5-benzofurandiol, 4,5-Methylene, 3'-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039198	2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-5-prenylbenzofuran; 4-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039199	2-(3-Allyl-4-hydroxy-5-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-1-propanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039200	2-(4-Allyloxy-3-methoxyphenyl)-1-(3,4-methylenedioxyphenyl)-1-propanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039201	3',4',4a',9a'-Tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039202	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4'-Methylene, 5-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039203	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 4,5-Methylene, 3'-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039204	3,3',4,4',7-Pentahydroxy-2,7'-cyclolignan, 3,4:3',4'-Bis(methylene)ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039205	3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3,4:3',4'-bis(methylene) ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039206	3,4,7,12-Tetrahydro-7,8,12-trihydroxy-12-(hydroxymethyl)-3-methylbenz[a]anthracen-1(2H)-one 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039207	3,4-Dihydro-3,4,5,6-tetramethoxy-2-phenyl-2H-furo[2,3-h]-1-benzopyran, 3-Demethoxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039208	3,4:3',4'-Bis(methylenedioxy)-7,7'-epoxylignan 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039209	3,4:3',4'-Bis(methylenedioxy)lignan, 7-Oxo 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039210	3,5,7-Trihydroxy-6-prenylflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039211	3,6a,9-Trihydroxy-10-prenylpterocarpan 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039212	3,6a,9-Trihydroxy-2-prenylpterocarpan 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039213	3,6a,9-Trihydroxy-4-prenylpterocarpan 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039214	3,8,9-Trihydroxy-6a-prenylpterocarpan 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039215	4',5,7-Trihydroxy-3'-prenylflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039216	4',5,7-Trihydroxy-6-prenylflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039217	4',5,7-Trihydroxy-6-prenylisoflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039218	4',5,7-Trihydroxy-8-prenylflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039219	4',5,7-Trihydroxyflavanone, 4'-O-(3-Methyl-2-butenyl) 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039220	4',5,7-Trihydroxyflavanone, 7-O-(3-Methyl-2-butenyl) 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039221	4-Methylunguinol 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039222	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 6',10'-dioxo 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039223	5'-Prenyllicodione 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039224	5,7-Dihydroxy-8-prenylflavanone, 4''-Hydroxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039225	5,7-Dihydroxyflavanone, 7-O-(2,3-Epoxy-3-methylbutyl) 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039226	6,7-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one; Tri-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039227	6-(1,1-Dimethyl-2-propenyl)-4',5,7-trihydroxyflavanone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039228	6-Allyl-6-[2-(3,4-dihydroxyphenyl)-1-methylethyl]-3,4-dihydroxy-2,4-cyclohexadien-1-one; Bis(methylene) ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039229	7,12-Dihydroxy-20-nor-1,5(10),6,8,12-abietapentaene-3,11,14-trione; 12-Me ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039230	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Furancarbonyl) 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039231	Antibiotic FD 548 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039232	Antibiotic SM 196A 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039233	Aphyllodenticulide 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039234	Bakuchalcone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039235	Blepharolide B 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039236	Burchellin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039237	Clarkinol; 4'-Ketone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039238	Clarkinol; 7-Epimer, 4'-ketone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039239	Cneorumchromone P 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039240	Cycloethuliacoumarin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039241	Denudatin A 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039242	Dolichin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039243	Erystagallin C 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039244	Eusiderin I; 5'-Demethoxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039245	Flemistrictin F; 4'-Hydroxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039246	Furoguaiacin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039247	Futoenone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039248	Hydroxyotobain 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039249	Isobavachromene; 3''-Hydroxy, 2',3'-dihydro 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039250	Kanzonol A 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039251	Liliflodione; 3'-O-De-Me, 3',4'-methylene ether 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039252	Machilin B 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039253	Methoxydalrubone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039254	Naphthgeranine A 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039255	Obovaten 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039256	Plectrinone A; 16-Deoxy, 16,17-didehydro 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039257	Pongachalcone I; 3,4-Dihydro, 3?-hydroxy, 7-O-de-Me 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039258	Preethuliacoumarin-8'-carboxylic acid 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039259	Radulanin F 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039260	Radulanin G 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039261	Radulanin H; 4'-Hydroxy 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039262	Rhyacophilene 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039263	Salvifaricin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039264	Spiroethuliacoumarin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039265	Tetrahydrohalenaquinone A 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039266	Tetrahydrohalenaquinone B 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039267	Tetrangomycin; 7,12-Dialcohol, O8-Me 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039268	Teuvincenone E 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039269	Trijuganone C 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039270	Ugonin D 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039271	Utahin 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039272	Wortmannolone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MJ039273	Xestosaprol B; 13-Ketone 	C20H20O5	340.131073	NA	MeJP	NA	NA
+MetaCyc03014	glyceollidin II [(6&alpha;S,11&alpha;S)-2-dimethylallyl-3,6&alpha;,9-trihydroxypterocarpan;(+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan;2-(6&alpha;S,11&alpha;S)-dimethylallyl-3,6&alpha;,9-trihydroxypterocarpan;]	C20H20O5	340.131074	NA	metacyc	NA	NA
+MetaCyc03015	glyceollidin I [(6&alpha;S,11&alpha;S)-4-dimethylallyl-3,6&alpha;,9-trihydroxypterocarpan;(+)-4-dimethylallyl-3,6&alpha;,9-trihydroxypterocarpan;2-(6&alpha;S,11&alpha;S)-dimethylallyl-3,6&alpha;,9-trihydroxypterocarpan;]	C20H20O5	340.131074	NA	metacyc	NA	NA
+MetaCyc03016	6-prenylnaringenin []	C20H20O5	340.131074	NA	metacyc	NA	NA
+MetaCyc03017	8-prenylnaringenin []	C20H20O5	340.131074	NA	metacyc	NA	NA
+MetaCyc03018	desmethylxanthohumol []	C20H20O5	340.131074	NA	metacyc	NA	NA
+C09753	Glepidotin B	C20H20O5	340.1311	NA	KEGG	NA	NA
+C09832	6-Prenylnaringenin	C20H20O5	340.1311	NA	KEGG	NA	NA
+C10418	(+-)-5-Deoxykievitone	C20H20O5	340.1311	NA	KEGG	NA	NA
+C10616	(+)-Galbacin	C20H20O5	340.1311	NA	KEGG	NA	NA
+C15509	2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan	C20H20O5	340.1311	NA	KEGG	NA	NA
+C15510	4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan	C20H20O5	340.1311	NA	KEGG	NA	NA
+C16416	Desmethylxanthohumol	C20H20O5	340.1311	NA	KEGG	NA	NA
+C18023	Sophoraflavanone B	C20H20O5	340.1311	NA	KEGG	NA	NA
+MJ039274	4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol 	C20H21ClN2O	340.134241	NA	MeJP	NA	NA
+C04698	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside	C13H24O10	340.1369	NA	KEGG	NA	NA
+MJ039275	2-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside 	C13H24O10	340.136946	NA	MeJP	NA	NA
+MJ039276	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside 	C13H24O10	340.136946	NA	MeJP	NA	NA
+MJ039277	4-O-?-D-Galactopyranosyl-L-rhamnose; ?-Pyranose-form, 3'-Me 	C13H24O10	340.136946	NA	MeJP	NA	NA
+MJ039278	Flambabiose 	C13H24O10	340.136946	NA	MeJP	NA	NA
+C03712	N2,N5-Dibenzoyl-L-ornithine	C19H20N2O4	340.1423	NA	KEGG	NA	NA
+C03715	O-Alkylglycerone phosphate	C3H6O6PR	340.1423	NA	KEGG	NA	NA
+MJ039279	Crotonosine, Me ether, N-carbamoyl 	C19H20N2O4	340.142307	NA	MeJP	NA	NA
+MJ039280	Dihydroalamarine 	C19H20N2O4	340.142307	NA	MeJP	NA	NA
+MJ039281	Gelsedine; 4,20-Didehydro, 19-oxo 	C19H20N2O4	340.142307	NA	MeJP	NA	NA
+MJ039282	Halfordinol; O-(2,3-Dihydroxy-3-methylbutyl) 	C19H20N2O4	340.142307	NA	MeJP	NA	NA
+MetaCyc03019	N2,N5-Dibenzoyl-L-ornithine [L-Ornithuric acid;]	C19H20N2O4	340.142307	NA	metacyc	NA	NA
+MJ039283	Zopfinol 	C18H25ClO4	340.144136	NA	MeJP	NA	NA
+MJ039284	3-Amino-3-deoxy-?-D-glucopyranosyl 3-amino-3-deoxy-?-D-glucopyranoside 	C12H24N2O9	340.14818	NA	MeJP	NA	NA
+MJ039285	3-Amino-3-deoxy-?-D-glucopyranosyl 3-amino-3-deoxy-?-D-glucopyranoside 	C12H24N2O9	340.14818	NA	MeJP	NA	NA
+MJ039286	Antibiotic FU 10 	C12H24N2O9	340.14818	NA	MeJP	NA	NA
+MJ039287	Chitobiose 	C12H24N2O9	340.14818	NA	MeJP	NA	NA
+MJ039288	Neomycin G 	C12H24N2O9	340.14818	NA	MeJP	NA	NA
+C17971	Fortimicin FU-10	C12H24N2O9	340.1482	NA	KEGG	NA	NA
+PJ000389	GQH 	C13H20N6O5	340.1495	NA	PeJP	NA	NA
+MJ039289	Antibiotic SF 98 	C13H20N6O5	340.149517	NA	MeJP	NA	NA
+MJ039290	1,3,4,13-Tetrahydroxy-7(11)-eudesmen-12,6-olide, 3-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039291	1,3,8,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 3-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039292	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Et ether 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039293	2,3,4,8-Tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 3-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039294	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 6-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039295	3,4,8,10-Tetrahydroxy-1-guaien-12,6-olide, 8-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039296	3,4,8,15-Scirpenetetrol, 15-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039297	3,4,8,15-Scirpenetetrol, 4-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039298	3,4,8,15-Scirpenetetrol, 8-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039299	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-(3-Hydroxy-2-methylenebutanoyl), 5-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039300	3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-(4-Hydroxy-2-methyl-2-butenoyl), 3-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039301	Hymenoxon; 2?-Acetoxy 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039302	p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 2-Me ether, 9-(methylpropanoyl), 10-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039303	p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7-(2-Methylbutanoyl), 9-Ac 	C17H24O7	340.152203	NA	MeJP	NA	NA
+MJ039304	Eticlopride 	C17H25ClN2O3	340.15537	NA	MeJP	NA	NA
+C16607	Citalopram N-oxide	C20H21FN2O2	340.1587	NA	KEGG	NA	NA
+C07405	Propiomazine	C20H24N2OS	340.1609	NA	KEGG	NA	NA
+C11715	Lucanthone	C20H24N2OS	340.1609	NA	KEGG	NA	NA
+MJ039305	Botiacrine 	C20H24N2OS	340.160934	NA	MeJP	NA	NA
+MJ039306	Cinanserin 	C20H24N2OS	340.160934	NA	MeJP	NA	NA
+MJ039307	Lucanthone 	C20H24N2OS	340.160934	NA	MeJP	NA	NA
+MJ039308	Propiomazine 	C20H24N2OS	340.160934	NA	MeJP	NA	NA
+MJ039309	Pirisudanol 	C16H24N2O6	340.163436	NA	MeJP	NA	NA
+FL1DA9NI0002	2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone	C21H24O4	340.16745	85526-72-3	knapsack	NA	NA
+FL1DA9NI0004	2'-Hydroxy-6'-methoxy-4'-prenyloxydihydrochalcone	C21H24O4	340.16745	-	knapsack	NA	NA
+FLIC1LNI0001	2'-O-Methylphaseollidinisoflavan	C21H24O4	340.16745	56257-28-4	knapsack	NA	NA
+FLIC1LNI0004	Millinol B;(3R)-7,4'-Dihydroxy-2'-methoxy-6-(1,1-dimethylallyl)isoflavan	C21H24O4	340.16745	121747-85-1	knapsack	NA	NA
+FLIC1LNI0005	4'-O-Methylpreglabridin;(3S)-7,2'-Dihydroxy-4'-methoxy-8-prenylisoflavan	C21H24O4	340.16745	105072-18-2	knapsack	NA	NA
+MJ039310	1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2H-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,9,10-triol; 10-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039311	2',4',7-Trihydroxy-3'-prenylisoflavan; 2'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039312	2',4',7-Trihydroxy-3'-prenylisoflavan; 4'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039313	2',4',7-Trihydroxy-8-prenylflavan, 4'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039314	2',4',7-Trihydroxy-8-prenylflavan, 7-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039315	2',4',7-Trihydroxy-8-prenylisoflavan, 4'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039316	2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039317	2-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-3-methyl-1,4-naphthoquinone 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039318	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-Me ether, 4'-O-(3-methyl-2-butenyl) 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039319	3-Phenyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone; 4'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039320	4,6-Dihydroxy-3-(3-methyl-2-butenyl)-2-(2-phenylethyl)benzoic acid; Me ester 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039321	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, Tri-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039322	5-(3,7-Dimethyl-2,6-octadienyl)-3,6-dihydroxy-2-methyl-1,4-naphthoquinone 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039323	Allopteroxylin; 6-(3-Methyl-2-butenyl), Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039324	Carinatidin; 2?,3?-Dihydro, Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039325	Chettaphanin II 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039326	Dactyloidin; O-De-Me 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039327	Dehydrodieugenol; Mono-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039328	Millinol, 2'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039329	Millinol, 4'-Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039330	Myricanol; Ketone, 5-deoxy 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039331	Nitenin 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039332	Otobaphenol; Me ether 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039333	Panicein G; 1'-Aldehyde 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039334	Taxamairin A; 3?-Alcohol 	C21H24O4	340.167459	NA	MeJP	NA	NA
+MJ039335	Taxamairin A; 5?,6-Dihydro 	C21H24O4	340.167459	NA	MeJP	NA	NA
+C14348	Bisphenol A diglycidyl ether	C21H24O4	340.1675	NA	KEGG	NA	NA
+C14637	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid,	C21H24O4	340.1675	NA	KEGG	NA	NA
+2937	myelopeptide	FLGFPT	340.17	MH2+	Inhouse_peptide	NA	peptide
+PJ000390	PPQ 	C15H24N4O5	340.1747	NA	PeJP	NA	NA
+HMDB01091	3-Hydroxyquinine	C20H24N2O3	340.17868	http://www.hmdb.ca/metabolites/HMDB01091	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01091	3-Hydroxyquinine	C20H24N2O3	340.17868	http://www.hmdb.ca/metabolites/HMDB01091	HMDB	NA	NA
+HMDB01091	3-Hydroxyquinine	C20H24N2O3	340.17868	http://www.hmdb.ca/metabolites/HMDB01091	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01091	3-Hydroxyquinine	C20H24N2O3	340.17868	HMDB01091	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01091	3-Hydroxyquinine	C20H24N2O3	340.17868	NA	HMDB2010	NA	NA
+MJ039336	1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039337	21-Hydroxycyclolochnerine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039338	3,6-Oxidoiboxygaine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039339	6,17-Epoxy-19,20-dihydro-1-methylsarpagan-17,21-diol 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039340	Affinine; 16-Epimer, 10-hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039341	Akagerine; 10-Hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039342	Akuammicine, 19,20-Dihydro, 18- or 19-hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039343	Akuammicine, 19,20-Dihydro, hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039344	Caracurine VII; 11-Methoxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039345	Deformyltalbotinic acid methyl ester 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039346	Echitamidine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039347	Gelsemamide 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039348	Gelsemine; 18,19-Dihydro, 19R-hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039349	Humantenirine; 11-Demethoxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039350	Ibophyllidine, Nb-Oxide 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039351	Leuconolam; Me ether 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039352	Leuconolam; N-Me 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039353	Lochneridine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039354	N-Acetylphenylalanylphenylalaninol; L-L-form 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039355	Nofecainide 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039356	Oliganine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039357	Ophiorrhizine-12-carboxylate 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039358	Raucubaine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039359	Sarpagine; 18-Hydroxy, O10-Me 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039360	Tubotaiwine; 11-Hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039361	Tubotaiwine; 19-Hydroxy 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039362	Tubotaiwine; N4-Oxide 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039363	Undulifoline 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039364	Vallesamine 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039365	Yohimbic acid 	C20H24N2O3	340.178692	NA	MeJP	NA	NA
+MJ039366	Verticillatine 	C20H25N2O3(+)	340.178692	NA	MeJP	NA	NA
+MetaCyc03020	3-hydroxyquinine []	C20H24N2O3	340.178693	NA	metacyc	NA	NA
+C07344	3-Hydroxyquinine	C20H24N2O3	340.1787	NA	KEGG	NA	NA
+MJ039367	Egregiachloride A 	C19H29ClO3	340.180522	NA	MeJP	NA	NA
+PJ000391	GKH 	C14H24N6O4	340.1859	NA	PeJP	NA	NA
+MJ039368	Glycylhistidyllysine; L-L-form 	C14H24N6O4	340.185903	NA	MeJP	NA	NA
+2623	synthetic fr,of human beta-CN (63-68) ACE inhibitor	PQNILP	340.18645	MH2+	Inhouse_peptide	NA	peptide
+MJ039369	10,15-Epoxy-6-caryophyllene-4,5,9,15-tetrol, 5-Me ether, 9-Ac 	C18H28O6	340.188588	NA	MeJP	NA	NA
+MJ039370	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 6,7-Dihydro, 3-O-(2E,4E-hexadienoyl) 	C18H28O6	340.188588	NA	MeJP	NA	NA
+MJ039371	4,5,10-Trihydroxy-11(13)-amorphen-12-oic acid, 5-Ac, Me ester 	C18H28O6	340.188588	NA	MeJP	NA	NA
+MJ039372	5,6-Dihydro-6-(6-hydroxyheptyl)-2H-pyran-2-one, 6'-3-(Ethoxycarbonyl)propanoyl 	C18H28O6	340.188588	NA	MeJP	NA	NA
+MJ039373	5-[Tetrahydro-4-hydroxy-2-(3-hydroxy-1-octenyl)-6-oxo-2H-pyran-3-yl]-3-pentenoic acid 	C18H28O6	340.188588	NA	MeJP	NA	NA
+MJ039374	Deacetyldihydrobotrydial; 15-Oxo, 10-Me ether, 4-Ac 	C18H28O6	340.188588	NA	MeJP	NA	NA
+MJ039375	Deacetyldihydrobotrydial; 15-Oxo, 10-epimer, 10-Me ether, 4-Ac 	C18H28O6	340.188588	NA	MeJP	NA	NA
+C07420	Pentamidine	C19H24N4O2	340.1899	NA	KEGG	NA	NA
+MJ039376	Pentamidine 	C19H24N4O2	340.189926	NA	MeJP	NA	NA
+MJ039377	Zanthoxyphylline 	C21H26NO3	340.191268	NA	MeJP	NA	NA
+C07849	Methantheline	C21H26NO3	340.1913	NA	KEGG	NA	NA
+C07850	Transferred to D00715	C21H26NO3	340.1913	NA	KEGG	NA	NA
+MJ039378	Acridorex 	C24H24N2	340.193948	NA	MeJP	NA	NA
+MJ039379	1-[2-(3,4-Dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(4-fluorophenyl)piperazine 	C21H25FN2O	340.195091	NA	MeJP	NA	NA
+7645	ACE inhibitor from porcine myosin (981-983	PPK	340.198	antioxidative	Inhouse_peptide	NA	peptide
+8168	peptide derived from ?-casein (109-111)	PPK	340.198	antibacterial	Inhouse_peptide	NA	peptide
+MJ039380	Perindoprilat 	C17H28N2O5	340.199822	NA	MeJP	NA	NA
+11	Myosin	PPK	340.2	celiac toxic	Inhouse_peptide	NA	peptide
+C08152	Norethindrone acetate	C22H28O3	340.2038	NA	KEGG	NA	NA
+C15090	17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid,	C22H28O3	340.2038	NA	KEGG	NA	NA
+HMDB03033	Canrenone	C22H28O3	340.20383	http://www.hmdb.ca/metabolites/HMDB03033	HMDB	NA	NA
+HMDB03033	Canrenone	C22H28O3	340.20383	HMDB03033	PFEM_hmdb_metabocards_official	NA	NA
+MJ039381	1(10),3-Guaiadien-8-ol; 8?-form, O-(4-Hydroxybenzoyl) 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039382	1,3(15),6-Humulatrien-10-ol; 4-Hydroxybenzoyl 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039383	1,3(15),6-Humulatrien-9-ol, O-(4-Hydroxybenzoyl) 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039384	1,3(15),6-Humulatrien-9-ol; O-(4-Hydroxybenzoyl) 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039385	1-Hydroxy-2,6-humuladien-15-al; Benzoyl 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039386	17-Hydroxy-16-methylenepregna-4,6-diene-3,20-dione 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039387	3(15),6-Caryophylladien-9-ol, 3?,15-Epoxide, benzoyl 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039388	Cristatin 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039389	Frondosin D, Me ether 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039390	Furanoquinone; Hydroquinone 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039391	Kneglomerantanone A 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039392	Norethisterone; Ac 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039393	Peperobtusin B 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039394	Piperochromenoic acid 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039395	Salvonitin 	C22H28O3	340.203844	NA	MeJP	NA	NA
+MJ039396	Smenochromene C 	C22H28O3	340.203844	NA	MeJP	NA	NA
+HMDB03033	Canrenone	C22H28O3	340.203857	NA	HMDB2010	NA	NA
+PJ000392	PPK 	C16H28N4O4	340.2111	NA	PeJP	NA	NA
+MJ039397	2,7,19,20-Tetrahydro-3-hydroxy-1-methylvobasan-17-oic acid ?-lactone 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039398	Alstomacroine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039399	Aspidofractinine, 11,12-Dimethoxy 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039400	Aspidospermatine; 14,19-Dihydro 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039401	Deacetylaspidospermine, N-Formyl 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039402	Decloxizine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039403	Demethylaspidospermine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039404	Dendrochrysine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039405	Eburine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039406	Epivincadine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039407	Ethylhydrocuprein 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039408	Hyderabadine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039409	Ibogamine, 10,11-Dimethoxy 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039410	Quinicinol; 10,11-Dihydro, 9-ketone, N-Me 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039411	Quinicinol; N-Me 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039412	Raumacline; Nb-Me 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039413	Sandwicolidine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039414	Secodine; 16,17-Dihydro 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039415	Vincadine 	C21H28N2O2	340.215078	NA	MeJP	NA	NA
+MJ039416	C-Fluorocurinine 	C21H29N2O2(+)	340.215078	NA	MeJP	NA	NA
+MJ039417	Corynantheol; 10-Methoxy, ?-N-metho salt 	C21H29N2O2(+)	340.215078	NA	MeJP	NA	NA
+MJ039418	Corynantheol; 10-Methoxy, Nb-Me(?-) 	C21H29N2O2(+)	340.215078	NA	MeJP	NA	NA
+MJ039419	Geissoschizol; 10-Methoxy, N-Me 	C21H29N2O2(+)	340.215078	NA	MeJP	NA	NA
+MJ039420	Geissoschizol; 9-Methoxy, Nb-Me 	C21H29N2O2(+)	340.215078	NA	MeJP	NA	NA
+MJ039421	2,5-Dihydro-2-methoxy-3,4-dimethyl-5-oxo-2-furanundecanoic acid, Me ester 	C19H32O5	340.224974	NA	MeJP	NA	NA
+MJ039422	3,5-Dihydro-3-hydroxymonacolin L 	C19H32O5	340.224974	NA	MeJP	NA	NA
+MJ039423	3,8-Dihydroxy-13,14,15,16-tetranor-12-labdanoic acid, 8-Ac, Me ester 	C19H32O5	340.224974	NA	MeJP	NA	NA
+MJ039424	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-tetradecanoyl-2(5H)-furanone 	C19H32O5	340.224974	NA	MeJP	NA	NA
+MJ039425	Octalactin B 	C19H32O5	340.224974	NA	MeJP	NA	NA
+MJ039426	Terguride 	C20H28N4O	340.226311	NA	MeJP	NA	NA
+C07628	Dimethisterone	C23H32O2	340.2402	NA	KEGG	NA	NA
+C15186	5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate	C23H32O2	340.2402	NA	KEGG	NA	NA
+MJ039427	1,11-Undecanediol; Di-Ph ether 	C23H32O2	340.24023	NA	MeJP	NA	NA
+MJ039428	2,2'-Methylenebis[6-tert-butyl-4-methylphenol] 	C23H32O2	340.24023	NA	MeJP	NA	NA
+MJ039429	5-Heptadecyl-1,3-benzenediol; 5',6',8',9',11',12',14',15'-Octadehydro(all-Z) 	C23H32O2	340.24023	NA	MeJP	NA	NA
+MJ039430	7-[3,5-Bis(1,1-dimethylethyl)phenyl]-3-methyl-2,4,6-octatrienoic acid 	C23H32O2	340.24023	NA	MeJP	NA	NA
+MJ039431	Dimethisterone 	C23H32O2	340.24023	NA	MeJP	NA	NA
+MJ039432	Medrogestone 	C23H32O2	340.24023	NA	MeJP	NA	NA
+MJ039433	Plastoquinone; Plastoquinone 3 	C23H32O2	340.24023	NA	MeJP	NA	NA
+C14616	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-	C20H33FO3	340.2414	NA	KEGG	NA	NA
+C14883	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-	C20H33FO3	340.2414	NA	KEGG	NA	NA
+MJ039434	7,20-Diisocyanoisocycloamphilectane; 20-Isocyanate 	C22H32N2O	340.251463	NA	MeJP	NA	NA
+MJ039435	7,20-Diisocyanoisocycloamphilectane; 7-Isocyanate 	C22H32N2O	340.251463	NA	MeJP	NA	NA
+MJ039436	Conkurchineyl 	C22H32N2O	340.251463	NA	MeJP	NA	NA
+MJ039437	Kalihinene 	C22H32N2O	340.251463	NA	MeJP	NA	NA
+C14998	17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol	C22H32N2O	340.2515	NA	KEGG	NA	NA
+C15197	17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	C22H32N2O	340.2515	NA	KEGG	NA	NA
+MJ039438	1,11,15-Trihydroxy-13-prosten-9-one 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039439	1,6,10-Phytatriene-3,14,15-triol, 5-Hydroxy 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039440	10-Hydroxy-8-oxo-9-octadecenoic acid, Me ether, Me ester 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039441	11-Hydroxy-9-oxo-10-nonadecenoic acid, Me ether 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039442	13-Labdene-2,3,8,15-tetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039443	14-Clerodene-2,3,4,13-tetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039444	2,4,15,16-Erythroxylanetetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039445	2,6,10-Phytatriene-1,14,15,20-tetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039446	2,7-Cembradiene-4,6,11,12-tetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039447	3,4-Dihydroxy-15-clerodanoic acid 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039448	3,8,15,16-Pimaranetetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039449	3,8-Dihydroxy-15-labdanoic acid 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039450	4,15,16-Trihydroxy-4,5-seco-5-rosanone 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039451	5-Labdene-15,16,18,19-tetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039452	6,13-Epoxy-4,8,12-eunicellanetriol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039453	6,8-Dihydroxy-15-labdanoic acid 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039454	8(17)-Labdene-7,13,14,15-tetrol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039455	8,13-Epoxy-11,14,15-labdanetriol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039456	8,13-Epoxy-12,14,15-labdanetriol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039457	8,13-Epoxy-14,15,18-labdanetriol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039458	8,13-Epoxy-14,15,19-labdanetriol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039459	8,13-Epoxy-7,14,15-labdanetriol 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039460	Plakortide J; 4-Epimer, 11,12-dihydro 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039461	Plakortide J; 4-Epimer, 7,8-dihydro 	C20H36O4	340.261359	NA	MeJP	NA	NA
+MJ039462	5-Oxoheneicosanoic acid 	C21H40O3	340.297745	NA	MeJP	NA	NA
+MJ039463	6,8,15-Labdanetriol, 6-Me ether 	C21H40O3	340.297745	NA	MeJP	NA	NA
+C08281	Docosanoic acid	C22H44O2	340.3341	NA	KEGG	NA	NA
+MJ039464	1-Eicosanol; Ac 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039465	16-Methyl-1-heptadecanol; 2-Methylpropanoyl 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039466	4,6-Docosanedione; 4-Alcohol 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039467	5,7-Docosanedione; 5-Alcohol 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039468	6,8-Docosanedione; 6-Alcohol 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039469	6,8-Docosanedione; 8-Alcohol 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039470	Docosanoic acid 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MJ039471	Eicosanoic acid; Et ester 	C22H44O2	340.33413	NA	MeJP	NA	NA
+MetaCyc03021	docosanoate [Behenic acid;Docosanoic acid;]	C22H44O2	340.334131	NA	metacyc	NA	NA
+HMDB00944	Behenic acid	C22H44O2	340.334137	NA	HMDB2010	NA	NA
+HMDB00944	Behenic acid	C22H44O2	340.33414	http://www.hmdb.ca/metabolites/HMDB00944	HMDB	NA	NA
+HMDB00944	Behenic acid	C22H44O2	340.33414	HMDB00944	PFEM_hmdb_metabocards_official	NA	NA
+MJ039472	1-Tricosanol 	C23H48O	340.370516	NA	MeJP	NA	NA
+MJ039473	12-Tricosanol 	C23H48O	340.370516	NA	MeJP	NA	NA
+2654	synthetic fr, of human beta-CN (165-170) ACE inhibitor	PQEVLP	340.678	MH2+	Inhouse_peptide	NA	peptide
+MJ039474	4,7-Dibromo-2,3-dichloro-1H-indole 	C8H3Br2Cl2N	340.800929	NA	MeJP	NA	NA
+C10977	Thiadiazolidinethione	C12H12BrN3S2	340.9656	NA	KEGG	NA	NA
+C10978	Triazolidinedithione	C12H12BrN3S2	340.9656	NA	KEGG	NA	NA
+C11066	MC-4379	C14H9Cl2NO5	340.9858	NA	KEGG	NA	NA
+MJ039475	Pluracidomycin A2 	C9H11NO9S2	340.987522	NA	MeJP	NA	NA
+MJ039476	(Nitrato-O)phenylmercury 	C6H5HgNO3	340.997568	NA	MeJP	NA	NA
+MJ039477	Dispacamide A; 2-Debromo, 9-hydroxy 	C11H12BrN5O3	341.012351	NA	MeJP	NA	NA
+MJ039478	Gerrardine; 1'-S-Oxide 	C11H19NO3S4	341.024776	NA	MeJP	NA	NA
+MJ039479	Linotroban 	C14H15NO5S2	341.039163	NA	MeJP	NA	NA
+MJ039480	Cepharadione B; 7-Chloro, N-de-Me 	C18H12ClNO4	341.045485	NA	MeJP	NA	NA
+MJ039481	Climazolam 	C18H13Cl2N3	341.048652	NA	MeJP	NA	NA
+MJ039482	3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; 9-Methoxy 	C17H11NO7	341.053551	NA	MeJP	NA	NA
+MJ039483	6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ether 	C17H11NO7	341.053551	NA	MeJP	NA	NA
+MJ039484	8-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester 	C17H11NO7	341.053551	NA	MeJP	NA	NA
+MJ039485	8-Methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C17H11NO7	341.053551	NA	MeJP	NA	NA
+MJ039486	Trididemnic acid A; 3'-Hydroxy 	C17H11NO7	341.053551	NA	MeJP	NA	NA
+C08469	Aristolochic acid	C17H11NO7	341.0536	NA	KEGG	NA	NA
+C11121	Propiconazole	C15H17Cl2N3O2	341.0698	NA	KEGG	NA	NA
+MJ039487	Guaisteine 	C15H19NO4S2	341.075549	NA	MeJP	NA	NA
+CJpos0766	Indoleacetyl glutamine [(M+K)]+	C15H17KN3O4	341.076975	C18rt(min)=6.05 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0766	Indoleacetyl glutamine [(M+K)]+	C15H17KN3O4	341.076975	C18rt(min)=6.05 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ039488	Arcyriaflavin A; 2-Hydroxy 	C20H11N3O3	341.080041	NA	MeJP	NA	NA
+MJ039489	Arcyroxindole A 	C20H11N3O3	341.080041	NA	MeJP	NA	NA
+MJ039490	Arcyroxocin A 	C20H11N3O3	341.080041	NA	MeJP	NA	NA
+MJ039491	Rutacridone; 3'-Chloro 	C19H16ClNO3	341.081871	NA	MeJP	NA	NA
+MJ039492	3,4-Dihydroxy-10-nitro-1-phenanthrenecarboxylic acid; Di-Me ether, Me ester 	C18H15NO6	341.089937	NA	MeJP	NA	NA
+MJ039493	6-[[5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]methyl]-3(2H)-pyridazinone 	C18H16ClN3O2	341.093104	NA	MeJP	NA	NA
+CJneg0541	Indoleacetyl glutamine [(M+Cl)]- (37Cl)	C15H17Cl037ClN3O4	341.096225	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0541	Indoleacetyl glutamine [(M+Cl)]- (37Cl)	C15H17Cl037ClN3O4	341.096225	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C17248	4-Methylthiobutyl-desulfoglucosinolate	C12H23NO6S2	341.0967	NA	KEGG	NA	NA
+MJ039494	9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-aminoacetyl 	C17H15N3O5	341.10117	NA	MeJP	NA	NA
+C11567	2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-	C18H19N3S2	341.102	NA	KEGG	NA	NA
+PJ000393	GCY 	C14H19N3O5S	341.1046	NA	PeJP	NA	NA
+MJ039495	2-Amino-2-deoxyglucose, N-(3,4-Dihydroxycinnamoyl) 	C15H19NO8	341.111066	NA	MeJP	NA	NA
+MJ039496	Clathridine A 	C16H15N5O4	341.112403	NA	MeJP	NA	NA
+MJ039497	Antibiotic K 252c; 7-Methoxy 	C21H15N3O2	341.116426	NA	MeJP	NA	NA
+MJ039498	9-(1H-Benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-4-methoxy-5H-cyclohepta[b]pyridine 	C18H19N3O2S	341.119797	NA	MeJP	NA	NA
+C09380	Cassyfiline	C19H19NO5	341.1263	NA	KEGG	NA	NA
+MJ039499	1,2-Dihydro-1,2-dihydroxyacromycine, N-De-Me 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039500	4-Hydroxynornantenine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039501	Bulbocapnine, 4?-Hydroxy 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039502	Bulbocapnine, N-Oxide(?-) 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039503	Cassyfiline 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039504	Duguetine; 7-Epimer, N-de-Me 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039505	Duguevanine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039506	Eletefine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039507	Erythraline, 8-Oxo, 11?-methoxy 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039508	Fumaritine; Natural-form, N-De-Me 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039509	Graciline; 11S-Acetoxy 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039510	Gravacridonediol 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039511	Guatterine; N-Oxide 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039512	Guattouregidine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039513	Hernandine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039514	Junosine; 2'?-Hydroxy, ?3'-isomer 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039515	Ledecorine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039516	Luteoreticulin 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039517	Nandigerine, N-Me, N-oxide (?-) 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039518	Oliveridine, N-Oxide 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039519	Phoebine, O1,N-Di-de-Me 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039520	Phoebine, O2,N-Di-de-Me 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039521	Phoebine, O3,N-Di-de-Me 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039522	Regelinone 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039523	Spixianine 	C19H19NO5	341.126322	NA	MeJP	NA	NA
+MJ039524	Cryptowoline, 13?-Hydroxy 	C19H20NO5(+)	341.126322	NA	MeJP	NA	NA
+MJ039525	Saripidem 	C19H20ClN3O	341.129489	NA	MeJP	NA	NA
+MJ039526	2-Trehalosamine 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039527	3-Trehalosamine 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039528	4-Trehalosamine 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039529	?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039530	Antibiotic X 14847 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039531	Lactosamine 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039532	Maltosamine 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MJ039533	Mannosylglucosaminide 	C12H23NO10	341.132195	NA	MeJP	NA	NA
+MetaCyc03022	6-(&alpha;-D-glucosaminyl)-1D-myo-inositol []	C12H23N1O10	341.132196	NA	metacyc	NA	NA
+HMDB06591	Lactosamine	C12H23NO10	341.1322	http://www.hmdb.ca/metabolites/HMDB06591	HMDB	NA	NA
+C15658	6-(alpha-D-Glucosaminyl)-1D-myo-inositol	C12H23NO10	341.1322	NA	KEGG	NA	NA
+HMDB06591	Lactosamine	C12H23NO10	341.1322	HMDB06591	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06591	Lactosamine	C12H23NO10	341.132202	NA	HMDB2010	NA	NA
+HMDB11668	6-(alpha-D-Glucosaminyl)-1D-myo-inositol	C12H23NO10	341.132202	NA	HMDB2010	NA	NA
+PJ000394	GEH 	C13H19N5O6	341.1336	NA	PeJP	NA	NA
+C12766	Cyclacillin	C15H23N3O4S	341.1409	NA	KEGG	NA	NA
+MJ039534	Ciclacillin 	C15H23N3O4S	341.140926	NA	MeJP	NA	NA
+MJ039535	Isosulpride 	C15H23N3O4S	341.140926	NA	MeJP	NA	NA
+MJ039536	Sulpiride 	C15H23N3O4S	341.140926	NA	MeJP	NA	NA
+MJ039537	Monocrotaline; N-Oxide 	C16H23NO7	341.147452	NA	MeJP	NA	NA
+PJ000395	HW 	C17H19N5O3	341.1488	NA	PeJP	NA	NA
+8222	antioxidative peptide	NYKQM	341.14915	MH2+	Inhouse_peptide	NA	peptide
+MJ039538	Clobenztropine 	C21H24ClNO	341.154642	NA	MeJP	NA	NA
+MJ039539	Leminoprazole 	C19H23N3OS	341.156183	NA	MeJP	NA	NA
+PJ000396	PPE 	C15H23N3O6	341.1587	NA	PeJP	NA	NA
+C04118	5,8,13,13a-Tetrahydrocolumbamine	C20H23NO4	341.1627	NA	KEGG	NA	NA
+C07253	Naltrexone	C20H23NO4	341.1627	NA	KEGG	NA	NA
+C09377	Caseadine	C20H23NO4	341.1627	NA	KEGG	NA	NA
+C09411	Cularine	C20H23NO4	341.1627	NA	KEGG	NA	NA
+C09549	Isocorydine	C20H23NO4	341.1627	NA	KEGG	NA	NA
+MJ039540	5,8,13,13a-Tetrahydrocolumbamine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039541	7-O-Acetylsalutaridinol 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039542	2,3,10,11-Tetrahydroxytetrahydroberberine, 3,10,11-Tri-Me ether 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039543	2-Hydroxy-1,10,11-trimethoxyaporphine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039544	2-[4-[2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methylpropanoic acid 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039545	Bernumine; Me ether 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039546	Caseadine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039547	Caseanadine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039548	Catalpifoline 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039549	Corydalidzine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039550	Corydalmine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039551	Corydine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039552	Corypalmine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039553	Corytenchine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039554	Cularine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039555	Discretine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039556	Fissistigine B; Me ether 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039557	Flavinine, O,N-Di-Me 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039558	Glaucine, N-De-Me 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039559	Hemiargyrine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039560	Hernagine, N-Me 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039561	Isocorydine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039562	Isocorypalmine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039563	Isonorargemonine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039564	Isothalisopavine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039565	Kreysiginone; Natural-form 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039566	Lauroscholtzine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039567	Lirioferine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039568	Naltrexone 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039569	Norargemonine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039570	Pallidine; Me ether 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039571	Platycerine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039572	Predicentrine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039573	Probovatine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039574	Roemerialinone 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039575	Romneine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039576	Sarcocapnidine; Me ether 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039577	Secocularidine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039578	Secosarcocapnidine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039579	Stenantherine, N-Me 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039580	Thaliporphine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039581	Thalisopavine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039582	Thebacon 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039583	Vochysine 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039584	Zanthosimuline; ?2'-Isomer, 4'-hydroperoxy 	C20H23NO4	341.162708	NA	MeJP	NA	NA
+MJ039585	9,10-Dihydroxy-2,3-dimethoxytetrahydroprotoberberine, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039586	Boldine, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039587	Coreximine, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039588	Corytuberine, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039589	Isoboldine, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039590	Isoscoulerine, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039591	Lindcarpine, N-Di-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039592	Przewalidine 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039593	Romneine, O4'-De-Me, N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039594	Suaveoline; N-Me 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MJ039595	Trilobinine 	C20H24NO4(+)	341.162708	NA	MeJP	NA	NA
+MetaCyc03023	S-tetrahydrocolumbamine [5, 8, 13, 13a-tetrahydrocolumbamine;isocorypalmine;(13aS)-5, 8,13,13a-tetrahydro-3, 9,10-trimethoxy-6H-dibenzo [a, g] quinolizin-2-ol;]	C20H23N1O4	341.162708	483-34-1	metacyc	NA	NA
+PJ000397	SVH 	C14H23N5O5	341.1699	NA	PeJP	NA	NA
+MJ039596	Espatropate 	C19H23N3O3	341.173941	NA	MeJP	NA	NA
+MJ039597	Antibiotic LL-AM 31? 	C12H27N3O8	341.179814	NA	MeJP	NA	NA
+MJ039598	Antibiotic LL-AM 31? 	C12H27N3O8	341.179814	NA	MeJP	NA	NA
+MJ039599	Sorbistin D 	C12H27N3O8	341.179814	NA	MeJP	NA	NA
+MJ039600	Tibalosin 	C21H27NOS	341.181335	NA	MeJP	NA	NA
+C16750	Acetylintermedine	C17H27NO6	341.1838	NA	KEGG	NA	NA
+C16751	Acetyllycopsamine	C17H27NO6	341.1838	NA	KEGG	NA	NA
+MJ039601	Echinatine; 3'-Epimer, O7-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039602	Echinatine; O7-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039603	Indicine; 2'- or 3'-Epimer, 3'-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039604	Indicine; 3'-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039605	Intermedine; 3'-Epimer, O3'-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039606	Intermedine; 3'-Epimer, O7-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039607	Intermedine; O7-Ac 	C17H27NO6	341.183837	NA	MeJP	NA	NA
+MJ039608	Fenetylline 	C18H23N5O2	341.185175	NA	MeJP	NA	NA
+MJ039609	12-Hydroxynorcona-N(18),1,4-trienin-3-one; 12?-form, 11?-Hydroxy 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039610	3-Hydroxy-3,3-diphenylpropanoic acid; 2-(Diethylamino)ethyl ester 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039611	Benaprizine 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039612	Delcarduchol 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039613	Hetidine; 3-Deoxy 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039614	Kurchamide 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039615	Pipernonaline 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039616	Propafenone 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+MJ039617	Retrofractamides; Retrofractamide D 	C21H27NO3	341.199093	NA	MeJP	NA	NA
+C07381	Propafenone	C21H27NO3	341.1991	NA	KEGG	NA	NA
+C07382	Transferred to D00481	C21H27NO3	341.1991	NA	KEGG	NA	NA
+2642	synthetic fr, of human beta-CN, ACE inhibitor	ILP	341.22	NA	Inhouse_peptide	NA	peptide
+3167	diprotin A	IPI	341.22	celiac toxic	Inhouse_peptide	NA	peptide
+3713	ACE inhibitor from alpha-zein	LLP	341.22	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ039618	Isoleucylprolylisoleucine; L-L-L-form 	C17H31N3O4	341.231456	NA	MeJP	NA	NA
+PJ000398	PLL 	C17H31N3O4	341.2315	NA	PeJP	NA	NA
+MJ039619	2-Methylaminoavarone 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039620	3-Methylaminoavarone 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039621	Ajabicine; 1-Ketone 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039622	Daphnilactone B 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039623	Didymeline; 8,14-Dihydro 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039624	Holadienine; 11?-Hydroxy 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039625	Isodaphnilactone B 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039626	Lindheimerine 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039627	Malouetamide 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+MJ039628	Spirafine II 	C22H31NO2	341.235479	NA	MeJP	NA	NA
+C08695	Lindheimerine	C22H31NO2	341.2355	NA	KEGG	NA	NA
+C15637	Pregnenolone carbonitrile	C22H31NO2	341.2355	NA	KEGG	NA	NA
+MJ039629	2-(Aminomethyl)-2-propenoic acid; N-(2-Hydroxytetradecanoyl), Me ester 	C19H35NO4	341.256608	NA	MeJP	NA	NA
+MJ039630	Pumiliotoxin 341A 	C19H35NO4	341.256608	NA	MeJP	NA	NA
+HMDB13326	trans-2-Dodecenoylcarnitine	C19H35NO4	341.256622	NA	HMDB2010	NA	NA
+MJ039631	2-Tridecyl-4(1H)-quinolinone; N-Me 	C23H35NO	341.271864	NA	MeJP	NA	NA
+MJ039632	20-Aminopregna-1,4-dien-3-one, N,N-Di-Me 	C23H35NO	341.271864	NA	MeJP	NA	NA
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	PFEM_hmdb_metabocards_urine	NA	urine
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST003	 Methylglyoxal lysine dimère (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	HMDB	NA	NA
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	Inhouse_PFEM	NA	NA
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	PFEM_hmdb_metabocards_blood	NA	blood
+TEST003	 Methylglyoxal lysine dimere (MOLD)	C16H29N4O4	341.4259	http://www.ebi.ac.uk/chebi/searchId.do;jsessionid=1E60DECB156E8D4D778BB8AABFF152D5?chebiId=CHEBI%3A59963	PFEM_hmdb_metabocards_official	NA	NA
+2578	NA	PSQQQP	341.655	MH2+	Inhouse_peptide	NA	peptide
+8142	peptide derived from wheat gluten	AQIPQQ	341.6735	MH2+	Inhouse_peptide	NA	peptide
+MJ039633	2,4,6-Tribromophenol; Me ether 	C7H5Br3O	341.789052	NA	MeJP	NA	NA
+MJ039634	Aluminium sulfate 	Al2O12S3	341.818264	NA	MeJP	NA	NA
+C13086	Propagermanium	C6H10Ge2O7	341.885	NA	KEGG	NA	NA
+C13087	Transferred to D01627	C6H10Ge2O7	341.885	NA	KEGG	NA	NA
+C13088	Transferred to D01628	C6H10Ge2O7	341.885	NA	KEGG	NA	NA
+MJ039635	Propagermanium 	C6H10Ge2O7	341.885009	NA	MeJP	NA	NA
+MJ039636	2,4'-Dibromo-6-hydroxydiphenyl ether 	C12H8Br2O2	341.889104	NA	MeJP	NA	NA
+MJ039637	Pantopyranoid A 	C10H16Br2O3	341.946619	NA	MeJP	NA	NA
+MJ039638	6,7-Dichloro-2,3-dihydro-5-(2-thienylcarbonyl)-2-benzofurancarboxylic acid 	C14H8Cl2O4S	341.952034	NA	MeJP	NA	NA
+MJ039639	Carbofenotion 	C11H16ClO2PS3	341.973856	NA	MeJP	NA	NA
+MJ039640	8-Bromo-4,7-dichloro-3,7-dimethyl-3,5-octadien-1-ol, Ac 	C12H17BrCl2O2	341.978897	NA	MeJP	NA	NA
+MJ039641	Benzenehexacarboxylic acid 	C12H6O12	341.985925	NA	MeJP	NA	NA
+MJ039642	Maneonenes 	C15H16BrClO2	342.00222	NA	MeJP	NA	NA
+MJ039643	Ranelic acid 	C12H10N2O8S	342.015785	NA	MeJP	NA	NA
+MJ039644	5-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4-(2-imidazolyl)-1,2,3-trithiane 	C13H14N2O3S3	342.016654	NA	MeJP	NA	NA
+MJ039645	Tilomisole 	C17H11ClN2O2S	342.022976	NA	MeJP	NA	NA
+MetaCyc03024	bis(p-nitrophenyl) phosphate [BNPP;di-p-nitrophenyl phosphate;bis(4-nitrophenyl) phosphate;]	C12H11N2O8P1	342.025302	NA	metacyc	NA	NA
+C16634	5-Fluorouridine monophosphate	C9H12FN2O9P	342.0264	NA	KEGG	NA	NA
+MJ039646	3-[[5-Deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxy]-2-hydroxypropanoic acid; (2R)-?-D-form 	C10H19AsO8	342.029589	NA	MeJP	NA	NA
+MJ039647	3-[[5-Deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxy]-2-hydroxypropanoic acid; (2S)-?-D-form 	C10H19AsO8	342.029589	NA	MeJP	NA	NA
+MJ039648	Becliconazole 	C18H12Cl2N2O	342.032668	NA	MeJP	NA	NA
+MJ039649	Clathramide A; N-De-Me 	C12H15BrN4O3	342.032753	NA	MeJP	NA	NA
+CJneg0542	Xanthosine [(M-H)+(NaCl)]-	C10H11ClN4NaO6	342.034825	C18rt(min)=4.27 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0542	Xanthosine [(M-H)+(NaCl)]-	C10H11ClN4NaO6	342.034825	C18rt(min)=4.27 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ039650	Ellagic acid; 2,3-Methylene, 7,8-di-Me ether 	C17H10O8	342.037567	NA	MeJP	NA	NA
+MJ039651	Scapaniapyrone A 	C17H10O8	342.037567	NA	MeJP	NA	NA
+MJ039652	Khellactone, 9-O-Sulfate 	C14H14O8S	342.040938	NA	MeJP	NA	NA
+MJ039653	Rutaretin, 1'-O-Sulfate 	C14H14O8S	342.040938	NA	MeJP	NA	NA
+MJ039654	Triazolam 	C17H12Cl2N4	342.043901	NA	MeJP	NA	NA
+C14432	Thiophanate-methyl	C12H14N4O4S2	342.0456	NA	KEGG	NA	NA
+MJ039655	Thiostreptoic acid 	C12H14N4O4S2	342.045646	NA	MeJP	NA	NA
+MJ039656	13-Chloro-1,10:2,3-diepoxy-11-hydroxy-4-germacrene-12,8:15,6-diolide 	C15H15ClO7	342.05063	NA	MeJP	NA	NA
+C16805	Coumachlor	C19H15ClO4	342.0659	NA	KEGG	NA	NA
+MJ039657	Etizolam 	C17H15ClN4S	342.070594	NA	MeJP	NA	NA
+FL3F9CNS0001	2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one	C18H14O7	342.07395	220841-90-7	knapsack	NA	NA
+FL3FAANS0002	Apigenin 7-lactate	C18H14O7	342.07395	126462-89-3	knapsack	NA	NA
+FL5FDCNS0004	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone	C18H14O7	342.07395	93655-95-9	knapsack	NA	NA
+FL5FF9NS0012	8-Hydroxygalangin 7-methyl ether 8-acetate	C18H14O7	342.07395	69312-51-2	knapsack	NA	NA
+FL63ACNC0001	Phyllocoumarin	C18H14O7	342.07395	124902-13-2	knapsack	NA	NA
+FLIA2LNS0001	6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone	C18H14O7	342.07395	51986-37-9	knapsack	NA	NA
+FLIA2LNS0002	Dalpatein	C18H14O7	342.07395	40009-88-9	knapsack	NA	NA
+FLIA3LNS0002	Maximaisoflavone F;7-Hydroxy-8,2'-dimethoxy-4',5'-methylenedioxyisoflavonel	C18H14O7	342.07395	94413-11-3	knapsack	NA	NA
+FLIAE9NS0001	Isoiriskashmirianin;3'-Hydroxy-5,5'-dimethoxy-6,7-methylenedioxyisoflavone	C18H14O7	342.07395	128700-91-4	knapsack	NA	NA
+FLIAECNS0003	Dipteryxine;Isoplatycarpanetin;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxyisoflavone	C18H14O7	342.07395	68862-19-1	knapsack	NA	NA
+FLIAECNS0004	Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone	C18H14O7	342.07395	69618-04-8	knapsack	NA	NA
+FLIAECNS0012	Squarrosin;5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone	C18H14O7	342.07395	126419-15-6	knapsack	NA	NA
+FLIAECNS0013	Iriskashmirianin;4'-Hydroxy-5,3'-dimethoxy-6,7-methylenedioxyisoflavone	C18H14O7	342.07395	128700-90-3	knapsack	NA	NA
+FLIAFCNS0002	Platycarpanetin	C18H14O7	342.07395	53505-60-5	knapsack	NA	NA
+FLIDWXNS0009	Leiocalycin;2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene	C18H14O7	342.07395	35930-38-2	knapsack	NA	NA
+FLNAALNM0001	Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin	C18H14O7	342.07395	53290-13-2	knapsack	NA	NA
+FLNABENM0001	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin	C18H14O7	342.07395	91377-14-9	knapsack	NA	NA
+MJ039658	1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 3,5-Di-Me, 1,2-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039659	1,2,3,6,7-Pentahydroxyanthraquinone; 1,2,3-Tri-Me ether, 6,7-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039660	1,2,3,8,9-Pentahydroxypterocarpene; 1,3-Di-Me, 8,9-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039661	1,3,8,9-Tetrahydroxycoumestan; 1,3,8-Tri-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039662	1,3,8-Trihydroxy-6-hydroxymethylanthraquinone; 3-Me ether, 1'-Ac 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039663	1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 6,8-Di-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039664	1,6,8-Trihydroxy-3-propylanthraquinone-2-carboxylic acid 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039665	2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',6-di-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039666	2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',7-di-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039667	2',4',5',7,8-Pentahydroxyisoflavone; 2',8-Di-Me, 4',5'-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039668	2-[(3-Acetyl-4,5,7-trihydroxy-2-naphthalenyl)methyl]-6-hydroxy-4H-pyran-4-one 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039669	3',4',5',6,7-Pentahydroxyisoflavone; 3',5'-Di-Me, 6,7-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039670	3',4',5,5',7-Pentahydroxyisoflavone; 3',7-Di-Me, 4',5'-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039671	3',4',5,6,7-Pentahydroxyisoflavone; 3',4'-Di-Me, 6,7-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039672	3',4',5,6,7-Pentahydroxyisoflavone; 3',5-Di-Me, 6,7-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039673	3',4',5,6,7-Pentahydroxyisoflavone; 4',5-Di-Me, 6,7-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039674	3',4',5,6,7-Pentahydroxyisoflavone; 5,6-Di-Me, 3',4'-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039675	3',4',5,6,8-Pentahydroxyflavone; 3',4'-Methylene, 6,8-Di-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039676	3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,8-di-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039677	3',5,5',6,7-Pentahydroxyisoflavone; 5',5-Di-Me, 6,7-methylene ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039678	3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether, Me ester 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039679	3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 4-Me ether, Me ester 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039680	3,5,7,8-Tetrahydroxyflavone; 7-Me ether, 8-Ac 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039681	3,7,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether, Me ester 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039682	4',5,7-Trihydroxyflavone; 7-O-(2-Hydroxypropanoyl) 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039683	Boeravinone B; 4-Hydroxy, 9-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039684	Isoophiopogonone A; 2'-Hydroxy 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039685	Maoyancaosu 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039686	Megacerotonic acid 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039687	Momofulvenone A 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039688	Ophiopogonone A; 2'-Hydroxy 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039689	Phyllocoumarin 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039690	Rhodocomatulin 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039691	Scillascillin, 2-Hydroxy, 7-Me ether 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039692	Sibiricin A 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039693	Sisafolin 	C18H14O7	342.073952	NA	MeJP	NA	NA
+MJ039694	Voludal 	C18H14O7	342.073952	NA	MeJP	NA	NA
+C03944	Dihydromethylsterigmatocystin	C18H14O7	342.074	NA	KEGG	NA	NA
+MJ039695	Tryptophan, Na-4-Chlorobenzoyl 	C18H15ClN2O3	342.07712	NA	MeJP	NA	NA
+MJ039696	Laurefucin; 6,7,9,10-Tetraepimer, 10-Me ether 	C16H23BrO3	342.083057	NA	MeJP	NA	NA
+MJ039697	Griseolutein A 	C17H14N2O6	342.085186	NA	MeJP	NA	NA
+MJ039698	Asparenomycin C; 1',2'-Dihydro, S-oxide 	C14H18N2O6S	342.088557	NA	MeJP	NA	NA
+MJ039699	Carpetimycin A 	C14H18N2O6S	342.088557	NA	MeJP	NA	NA
+MJ039700	2,2'-Dimethyl-3,3'-bi-1,4-naphthoquinone 	C22H14O4	342.089208	NA	MeJP	NA	NA
+MJ039701	5,5-Dimethyl-4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone 	C19H18O4S	342.092579	NA	MeJP	NA	NA
+MJ039702	Flutoprazepam 	C19H16ClFN2O	342.093519	NA	MeJP	NA	NA
+MJ039703	1-O-p-Coumaroylglucose; ?-D-form, 3'-Hydroxy 	C15H18O9	342.095082	NA	MeJP	NA	NA
+MJ039704	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-O-?-D-Glucopyranoside 	C15H18O9	342.095082	NA	MeJP	NA	NA
+MJ039705	5,7-Dihydroxy-1(3H)-isobenzofuranone; 5-Me ether, 7-O-?-D-glucopyranoside 	C15H18O9	342.095082	NA	MeJP	NA	NA
+MJ039706	Chaenorrhinoside 	C15H18O9	342.095082	NA	MeJP	NA	NA
+MJ039707	Conocarpic acid 	C15H18O9	342.095082	NA	MeJP	NA	NA
+MJ039708	Lespedezic acid 	C15H18O9	342.095082	NA	MeJP	NA	NA
+C10431	Caffeic acid 3-glucoside	C15H18O9	342.0951	NA	KEGG	NA	NA
+C10433	1-Caffeoyl-beta-D-glucose	C15H18O9	342.0951	NA	KEGG	NA	NA
+MJ039709	Caulersin 	C21H14N2O3	342.100442	NA	MeJP	NA	NA
+C01121	Streptidine 6-phosphate	C8H19N6O7P	342.1053	NA	KEGG	NA	NA
+C01122	cis-2,3-Dehydroacyl-CoA	C24H37N7O17P3SR	342.1053	NA	KEGG	NA	NA
+C14472	4',5,6,7-Tetramethoxyflavone	C19H18O6	342.1103	NA	KEGG	NA	NA
+C15076	3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C19H18O6	342.1103	NA	KEGG	NA	NA
+FL1ADFNS0001	4,6,3',4'-Tetramethoxyaurone;Rengasin trimethyl ether	C19H18O6	342.11033	23053-69-2	knapsack	NA	NA
+FL1C1ANI0022	3'-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone	C19H18O6	342.11033	-	knapsack	NA	NA
+FL1CDCNS0002	3,4-Methylenedioxy-2',4',6'-trimethoxychalcone	C19H18O6	342.11033	151703-88-7	knapsack	NA	NA
+FL1CHYNM0003	Tinosporinone	C19H18O6	342.11033	87247-97-0	knapsack	NA	NA
+FL3F1LNS0001	7,2',4',5'-Tetramethoxyflavone	C19H18O6	342.11033	159119-06-9	knapsack	NA	NA
+FL3F98NS0012	Zapotin;2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one	C19H18O6	342.11033	14813-19-5	knapsack	NA	NA
+FL3F99NS0009	Cerrosillin;5,6,3',5'-tetramethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one	C19H18O6	342.11033	17182-56-8	knapsack	NA	NA
+FL3FA8NS0009	5,7,2',5'-tetramethoxyflavone;2-(2,5-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O6	342.11033	84757-35-7	knapsack	NA	NA
+FL3FAFNM0001	5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone	C19H18O6	342.11033	93290-61-0	knapsack	NA	NA
+FL3FALNS0005	Norartocarpetin 5,7,2',4'-tetramethyl ether	C19H18O6	342.11033	72357-29-0	knapsack	NA	NA
+FL3FDFNS0001	Luteolin 5,7,3',4'-tetramethyl ether	C19H18O6	342.11033	855-97-0	knapsack	NA	NA
+FL3FEANS0009	Scutellarein 5,6,7,4'-tetramethyl ether;5,6,7,4'-Tetramethoxyflavone;5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;Tetramethylscutellarein	C19H18O6	342.11033	1168-42-9	knapsack	NA	NA
+FL3FFANS0009	4',5,7,8-Tetramethoxyflavone;6-Demethoxytangeretin;6-Demethoxytangeritin;Tetra-O-methylisoscutellarein;5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O6	342.11033	6601-66-7	knapsack	NA	NA
+FL3FG9NS0004	5,6,7,8-Tetramethoxyflavone;5,6,7,8-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one;5,6,7,8-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one	C19H18O6	342.11033	3162-43-4	knapsack	NA	NA
+FL5F1CNS0006	Fisetin tetramethyl ether	C19H18O6	342.11033	17093-86-6	knapsack	NA	NA
+FL5FDANM0003	6,8-Di-C-methylkaempferol 3,7-dimethyl ether	C19H18O6	342.11033	125206-12-4	knapsack	NA	NA
+FL5FDBNM0001	8-Desmethylkalmiatin	C19H18O6	342.11033	70059-34-6	knapsack	NA	NA
+FL5FDBNS0003	3,5,7,4'-Tetramethoxyflavone;O-Tetramethylkaempferol;Tetramethylkaempferol;2-(4-Methoxyphenyl)-3,5,7-trimethoxy-4-oxo-4H-1-benzopyran;3,5,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O6	342.11033	16692-52-7	knapsack	NA	NA
+FL5FE9NS0009	3,5,6,7-Tetramethoxyflavone;3,5,6,7-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one	C19H18O6	342.11033	75413-07-9	knapsack	NA	NA
+FL5FF9NS0011	3,5,7,8-Tetramethoxyflavone	C19H18O6	342.11033	103450-99-3	knapsack	NA	NA
+FLIA1LNS0011	7,2',4',5'-Tetramethoxyisoflavone	C19H18O6	342.11033	05/02/4253	knapsack	NA	NA
+FLIA2CNS0006	6,7,3',4'-Tetramethoxyisoflavone	C19H18O6	342.11033	24126-93-0	knapsack	NA	NA
+FLIDWXNS0008	Bryacarpene 3;3,8,9,10-Tetramethoxypterocarpene	C19H18O6	342.11033	55306-17-7	knapsack	NA	NA
+FLIF1LNS0001	Munduserone	C19H18O6	342.11033	3564-85-0	knapsack	NA	NA
+MJ039710	1,2,3,5-Tetrahydroxy-4-prenylxanthone; 2-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039711	1,2-Dihydro-5,9,10-trihydroxy-1,1,2-trimethyl-6H-furo[2,3-c]xanthen-6-one, 10-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039712	1,3,5,6-Tetrahydroxy-2-prenylxanthone; 5-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039713	1,3,5,6-Tetrahydroxy-2-prenylxanthone; 6-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039714	1,3,5,6-Tetrahydroxy-4-prenylxanthone; 3-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039715	1,3,5,6-Tetrahydroxy-4-prenylxanthone; 5-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039716	1,3,5,8-Tetrahydroxy-2-prenylxanthone; 3-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039717	1,3,6,7-Tetrahydroxy-5-prenylxanthone; 7-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039718	1,3,8-Trihydroxy-6-(2-hydroxypentyl)anthraquinone 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039719	1,3,8-Trihydroxy-6-methylxanthone; 3-O-(3-Hydroxymethyl-2-butenyl)(E-) 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039720	1,4,5,6-Tetrahydroxy-7-prenylxanthone; 5-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039721	15,16-Epoxy-19-nor-4,6,13(16),14-clerodatetraene-18,6:20,12-diolide, 2?-Hydroxy 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039722	2',4',5',7-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039723	2',4',5',7-Tetrahydroxyisoflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039724	2',4',5,7-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039725	2',4',5,7-Tetrahydroxyisoflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039726	2',5,6,6'-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039727	2,3,4,8-Tetrahydroxy-1-prenylxanthone; 2-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039728	2,3,6,8-Tetrahydroxy-1-prenylxanthone; 2-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039729	3',4',5,6-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039730	3',4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3',4'-Di-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039731	3',4',5,7-Tetramethoxyflavone 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039732	3',4',6,7-Tetrahydroxyisoflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039733	3',4,4',6-Tetrahydroxyaurone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039734	3',5,5',6-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039735	3,3',4',7-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039736	3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3,7-Di-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039737	3,4',5,7-Tetrahydroxy-6-methylflavone; 3,4',7-Tri-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039738	3,4',5,7-Tetramethoxyflavone 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039739	3,5,6,7-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039740	3,5,7,8-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039741	3,5,7-Trihydroxyflavanone, 3-O-(2-Methylpropanoyl) 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039742	4',5,6,7-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039743	4',5,7,8-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039744	4',5,7,8-Tetrahydroxyisoflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039745	4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-Ac 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039746	4-(1,1-Dimethyl-2-propenyl)-1,2,5,8-tetrahydroxyxanthone; 1-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039747	4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxyxanthone; 3-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039748	5,6,7,8-Tetrahydroxyflavone; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039749	5,7,8-Trihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; Tetra-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039750	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 15-Aldehyde, 8-(methylpropenoyl) 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039751	Atrovenetin 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039752	Cudraniaxanthone 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039753	Egonol; 1''-Hydroxy 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039754	Elmycin B 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039755	Excavatin D, 2',3'-Epoxide, ?7',9'-isomer 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039756	Excavatin D, 2'?-Hydroxy, ?3',10'-isomer 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039757	Excavatin D, 2'?-Hydroxy, ?3',10'-isomer 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039758	Excavatin D, 4'?-Hydroxy 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039759	Excavatin D, 8-Hydroxy, ?7',9'-isomer 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039760	Excavatin D, 2'?,3'?-Epoxide 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039761	Excavatin D, 9'-Hydroxy 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039762	Herpetol; 3-O-De-Me 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039763	Khellactone, 10-Ketone, 9-tigloyl 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039764	Methylophiopogonone A; 2,3-Dihydro 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039765	Methylophiopogonone B; 2,3-Dihydro, 1''-oxo 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039766	Munduserone 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039767	Piperitol, O-De-Me 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039768	Pseudobruceol I 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039769	Scriblitifolic acid 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039770	Symphoxanthone; 1-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039771	Tinosporinone 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039772	Toxyloxanthone C; 4-Me ether 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039773	Turgeniifolin A 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039774	Xylonic acid, 2,4:3,5-Di-O-benzylidene 	C19H18O6	342.110338	NA	MeJP	NA	NA
+MJ039775	Topsentin A; 7-Hydroxy 	C20H14N4O2	342.111675	NA	MeJP	NA	NA
+MJ039776	Grosulfeimin 	C16H22O6S	342.113709	NA	MeJP	NA	NA
+MJ039777	Sulferalin 	C16H22O6S	342.113709	NA	MeJP	NA	NA
+MJ039778	N-(2-Cyanoethyl)-2-(1,1-dimethylethyl)-6-nitro-4-quinolinecarbothioamide 	C17H18N4O2S	342.115046	NA	MeJP	NA	NA
+C00089	Sucrose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C00185	Cellobiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C00208	Maltose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C00243	Lactose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C00252	Isomaltose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C00897	alpha-Maltose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01083	alpha,alpha-Trehalose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01086	(3R)-3-Hydroxyacyl-CoA	C24H39N7O18P3SR	342.1162	NA	KEGG	NA	NA
+C01235	alpha-D-Galactosyl-(1->3)-1D-myo-inositol	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01518	Nigerose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01520	Pachyman	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01522	Pre-tRNA	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01711	Inulobiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01725	Levanbiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01728	Mannobiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01742	Palatinose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01970	beta-Lactose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01971	beta-Maltose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C01972	m7G(5')pppAm	C27H40N10O23P4R	342.1162	NA	KEGG	NA	NA
+C01973	m7G(5')pppAn	C27H40N10O23P4R	342.1162	NA	KEGG	NA	NA
+C01974	m7G(5')pppGn	C27H40N10O23P4R	342.1162	NA	KEGG	NA	NA
+C01977	tRNA guanine	C10H14N5O8P	342.1162	NA	KEGG	NA	NA
+C01978	tRNA queuine	C17H24N5O10P	342.1162	NA	KEGG	NA	NA
+C02048	Laminaribiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C02049	Limit dextrin	C12H22O11	342.1162	NA	KEGG	NA	NA
+C02964	D-Glucosyl-D-mannose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C03857	D-Fructosyl-D-fructofuranose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C04147	alpha-D-Glucosyl-(1,3)-D-mannose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C04219	alpha-D-Aldosyl beta-D-fructoside	C12H22O11	342.1162	NA	KEGG	NA	NA
+C05400	Epimelibiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C05402	Melibiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C06373	beta-D-Gal-(1->4)-D-Glc	C12H22O11	342.1162	NA	KEGG	NA	NA
+C06374	Phthalylamide	C8H6NO3R	342.1162	NA	KEGG	NA	NA
+C06375	Substituted amine	NH2R	342.1162	NA	KEGG	NA	NA
+C06421	alpha-Cellobiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C06422	beta-Cellobiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C07064	Lactulose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C08240	Gentiobiose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C08250	2-O-beta-D-Glucopyranosyl-beta-D-glucopyranose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C15548	2-alpha-D-Glucosyl-D-glucose	C12H22O11	342.1162	NA	KEGG	NA	NA
+C18068	beta-D-Fructofuranosyl-alpha-D-mannopyranoside	C12H22O11	342.1162	NA	KEGG	NA	NA
+HMDB00048	Melibiose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00048	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00258	Sucrose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00258	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00163	D-Maltose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00163	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00258	Sucrose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00258	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00740	Lactulose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00740	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00048	Melibiose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00048	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00258	Sucrose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00258	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00048	Melibiose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00048	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00258	Sucrose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00258	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00048	Melibiose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00048	HMDB	NA	NA
+HMDB00055	Cellobiose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00055	HMDB	NA	NA
+HMDB00163	D-Maltose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00163	HMDB	NA	NA
+HMDB00186	alpha-Lactose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00186	HMDB	NA	NA
+HMDB00258	Sucrose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00258	HMDB	NA	NA
+HMDB00740	Lactulose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00740	HMDB	NA	NA
+HMDB00975	Trehalose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00975	HMDB	NA	NA
+HMDB02923	Isomaltose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB02923	HMDB	NA	NA
+HMDB05826	Galactinol	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB05826	HMDB	NA	NA
+HMDB06603	3-beta-Galactopyranosyl glucose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB06603	HMDB	NA	NA
+HMDB06792	Epimelibiose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB06792	HMDB	NA	NA
+HMDB00163	D-Maltose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00163	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00258	Sucrose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00258	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00740	Lactulose	C12H22O11	342.11621	http://www.hmdb.ca/metabolites/HMDB00740	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00048	Melibiose	C12H22O11	342.11621	HMDB00048	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00055	Cellobiose	C12H22O11	342.11621	HMDB00055	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00163	D-Maltose	C12H22O11	342.11621	HMDB00163	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00186	alpha-Lactose	C12H22O11	342.11621	HMDB00186	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00258	Sucrose	C12H22O11	342.11621	HMDB00258	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00740	Lactulose	C12H22O11	342.11621	HMDB00740	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00975	Trehalose	C12H22O11	342.11621	HMDB00975	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02923	Isomaltose	C12H22O11	342.11621	HMDB02923	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05826	Galactinol	C12H22O11	342.11621	HMDB05826	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06603	3-beta-Galactopyranosyl glucose	C12H22O11	342.11621	HMDB06603	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06792	Epimelibiose	C12H22O11	342.11621	HMDB06792	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00048	Melibiose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB00055	Cellobiose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB00163	D-Maltose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB00186	Alpha-Lactose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB00258	Sucrose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB00740	Lactulose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB00975	Trehalose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB02923	Isomaltose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB05826	Galactinol	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB06603	3-b-Galactopyranosyl glucose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB06792	Epimelibiose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB11740	Turanose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+HMDB11742	Kojibiose	C12H22O11	342.116211	NA	HMDB2010	NA	NA
+MJ039779	alpha,alpha-Trehalose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039780	1-alpha-D-Galactosyl-myo-inositol 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039781	Cellobiose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039782	Epimelibiose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039783	Isomaltose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039784	Lactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039785	Maltose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039786	Melibiose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039787	Sucrose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039788	1-O-?-D-Glucopyranosyl-D-fructose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039789	2-O-?-D-Galactofuranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039790	2-O-?-D-Galactofuranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039791	2-O-?-D-Glucopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039792	2-O-?-D-Glucopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039793	2-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039794	2-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039795	2-O-?-D-Galactopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039796	2-O-?-D-Glucopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039797	2-O-?-D-Glucopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039798	2-O-?-D-Glucopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039799	2-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039800	2-O-?-D-Mannopyranosyl-L-gulose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039801	2-O-?-D-Mannopyranosyl-myo-inositol 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039802	3-O-?-D-Galactofuranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039803	3-O-?-D-Galactofuranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039804	3-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039805	3-O-?-D-Glucopyranosyl-D-fructose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039806	3-O-?-D-Glucopyranosyl-D-galactopyranose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039807	3-O-?-D-Glucopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039808	3-O-?-D-Glucopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039809	3-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039810	3-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039811	3-O-?-D-Glucopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039812	3-O-?-D-Glucopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039813	3-O-?-D-Mannopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039814	3-O-?-D-Mannopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039815	3-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039816	4-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039817	4-O-?-D-Galactopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039818	4-O-?-D-Glucopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039819	4-O-?-D-Glucopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039820	4-O-?-D-Mannopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039821	4-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039822	4-O-?-D-Mannopyranosyl-L-gulose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039823	4-O-?-D-Psicofuranosylglucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039824	4-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039825	4-O-?-D-Glucopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039826	4-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039827	5-O-?-D-Galactofuranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039828	5-O-?-D-Galactofuranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039829	5-O-?-D-Glucopyranosyl-D-fructose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039830	6-O-?-D-Fructofuranosyl-D-fructose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039831	6-O-?-D-Galactofuranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039832	6-O-?-D-Galactofuranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039833	6-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039834	6-O-?-D-Galactopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039835	6-O-?-D-Galactopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039836	6-O-?-D-Glucopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039837	6-O-?-D-Glucopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039838	6-O-?-D-Glucopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039839	6-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039840	6-O-?-D-Galactopyranosyl-D-galactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039841	6-O-?-D-Galactopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039842	6-O-?-D-Galactopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039843	6-O-?-D-Glucopyranosyl-D-fructofuranose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039844	6-O-?-D-Glucopyranosyl-D-glucose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039845	6-O-?-D-Glucopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039846	6-O-?-D-Mannopyranosyl-D-mannose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039847	Cellobiose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039848	Galactinol 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039849	Inulobiose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039850	Lactose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039851	Lactulose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039852	Maltose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039853	Maltulose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039854	Sucrose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039855	Turanose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039856	chiro-Inositol, 2-O-?-D-Galactopyranoside 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039857	myo-Inositol; 1-O-?-D-Glucopyranoside 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039858	?,?-Trehalose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039859	?,?-Trehalose 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MJ039860	?-D-Glucopyranosyl ?-D-sorbopyranoside 	C12H22O11	342.116211	NA	MeJP	NA	NA
+MetaCyc03025	nigerose [&alpha;-1,3-glucose disaccharide;]	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03026	inulobiose []	C12H22O11	342.116212	470-58-6	metacyc	NA	NA
+MetaCyc03027	palatinose [6-O-&alpha;-D-glucopyranosyl-D-fructofuranose;]	C12H22O11	342.116212	13718-94-0	metacyc	NA	NA
+MetaCyc03028	&beta;-kojibiose []	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03029	&alpha;,&beta;-trehalose []	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03030	&alpha;-kojibiose [2-&alpha;-D-glucosyl-D-glucose;&alpha;-D-glucopyranosyl-( 1->2)-D-glucopyranose;]	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03031	3-&beta;-D-glucosyl-D-glucose [Laminaribiose;6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol;]	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03032	1-&alpha;-D-galactosyl-myo-inositol [1-O-&alpha;-D-galactosyl-D-myo-inositol;galactinol;&alpha;-D-galactosyl-(1->3)-1D-myo-inositol;]	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03033	trehalose [&alpha;,&alpha;-trehalose;]	C12H22O11	342.116212	99-20-7	metacyc	NA	NA
+MetaCyc03034	sucrose [saccharose;Glc(&alpha;1<->2&beta;)Fru;&alpha;-D-glucopyranosyl &beta;-D-fructofuranoside;]	C12H22O11	342.116212	57-50-1	metacyc	NA	NA
+MetaCyc03035	melibiose [6-O-(&alpha;-D-galactopyranosyl)-D-glucopyranose;D-Gal-&alpha;1->6D-glucose;D-melibiose;melibiose;6-O-&alpha;-D-Galactopyranosyl-D-glucose;6-(&alpha;-D-galactosido)-D-glucose;]	C12H22O11	342.116212	585-99-9	metacyc	NA	NA
+MetaCyc03036	maltose [&beta;-maltose;maltitol;]	C12H22O11	342.116212	69-79-4	metacyc	NA	NA
+MetaCyc03037	lactose [&alpha;-lactose;]	C12H22O11	342.116212	63-42-3	metacyc	NA	NA
+MetaCyc03038	&beta;-gentiobiose []	C12H22O11	342.116212	554-91-6	metacyc	NA	NA
+MetaCyc03039	D-Glucosyl-D-mannose []	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03040	isomaltose [Brachiose;]	C12H22O11	342.116212	499-40-1	metacyc	NA	NA
+MetaCyc03041	cellobiose [4-&beta;-D-glucopyranosyl-D-glucopyranose;]	C12H22O11	342.116212	528-50-7	metacyc	NA	NA
+MetaCyc03042	&alpha;-maltose []	C12H22O11	342.116212	NA	metacyc	NA	NA
+MetaCyc03043	allolactose []	C12H22O11	342.116212	28447-39-4	metacyc	NA	NA
+CJneg0543	Sucrose (and isomers) [(M-H)]-	C12H21O11	342.116725	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0543	Sucrose (and isomers) [(M-H)]-	C12H21O11	342.116725	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ039861	Inosine; OH-form, 6-O-[2-Hydroxy-1-(hydroxymethyl)ethyl] 	C13H18N4O7	342.117548	NA	MeJP	NA	NA
+MJ039862	?-Snyderol; ?4-Isomer, Ac 	C17H27BrO2	342.119442	NA	MeJP	NA	NA
+MJ039863	?-Snyderol; Ac 	C17H27BrO2	342.119442	NA	MeJP	NA	NA
+MJ039864	Pyridindolol, 15,16-Di-Ac 	C18H18N2O5	342.121571	NA	MeJP	NA	NA
+MJ039865	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 15-Chloro, 2-Ac 	C17H23ClO5	342.123401	NA	MeJP	NA	NA
+MJ039866	Pallidisetin A 	C23H18O3	342.125594	NA	MeJP	NA	NA
+MJ039867	1-(3,4-Dihydroxyphenyl)-1-propanone; 3-Me ether, 4-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039868	3-(2,4-Dihydroxyphenyl)-2-propen-1-ol, 2'-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039869	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039870	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039871	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039872	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039873	3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039874	5-(2-Propenyl)-1,2,3-benzenetriol; 2-Me ether, 1-O-?-D-glucopyranoside 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039875	Hyptolide; 1'?,2'?-Epoxide, 3'-O-de-Ac, 5'-epimer 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039876	Macrosphelide A 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039877	Nepetanudoside C 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039878	Nepetaracemoside B 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039879	Serratumin A 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039880	Synargentolide D; 5-Deoxy 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039881	Veranisatin A 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MJ039882	Coniferin 	C16H22O8	342.131467	NA	MeJP	NA	NA
+MetaCyc03044	coniferin [coniferyl alcohol-4-O-&beta;-D-glucopyranoside;]	C16H22O8	342.131468	NA	metacyc	NA	NA
+C00761	Coniferin	C16H22O8	342.1315	NA	KEGG	NA	NA
+MetaCyc03045	glucosaminyl-inositol [GlcN-Ins;1-D-myo-inosityl-2-amino-2-deoxy-&alpha;-D-glucopyranoside;]	C12H24N1O10	342.140021	NA	metacyc	NA	NA
+C05229	Phaseollidin hydrate	C20H22O5	342.1467	NA	KEGG	NA	NA
+C18164	Deoxymiroestrol	C20H22O5	342.1467	NA	KEGG	NA	NA
+FL2F1ANI0011	Brosimacutin C	C20H22O5	342.14672	350221-47-5	knapsack	NA	NA
+MJ039883	1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039884	12,17-Epoxy-17-hydroxystrictic acid, 17-Ketone 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039885	12,17:15,16-Diepoxy-7-oxo-3,8(17),13(16),14-clerodatetraen-18,19-olide, 8?,17-Dihydro 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039886	12,17:15,16:17,20-Triepoxy-3,13(16),14-clerodatrien-18,19-olide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039887	12-Hydroxy-11,14-dioxo-1(10),8,12-icetexatrien-19,6-olide; 6?-form 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039888	12-Hydroxy-11,14-dioxo-6,8,12-abietatrien-19,20-olide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039889	14-Hydroxy-11,12-dioxo-6,8,13-icetexatrien-18,10-olide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039890	15,16-Epoxy-1,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039891	15,16-Epoxy-2,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039892	15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039893	15,16-Epoxy-3,13(16),14-clerodatriene-18,19:20,12-diolide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039894	15,16-Epoxy-6-hydroxy-7-oxo-8,13(16),14-labdatrien-19-oic acid, 3-Oxo, 19?6 lactone 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039895	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-3-methyl-7-(2-propenyl)-1,4-benzodioxin, 3',5-Di-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039896	2-Hydroxygarveatin B 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039897	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4-Di-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039898	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',5-Di-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039899	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4-Di-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039900	3,20-Epoxy-6,15-dihydroxy-5,16-kauradiene-1,7-dione, 15-Ketone 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039901	3,3',4,4',7-Pentahydroxylignan, 3,4:3',4'-Bis(methylene) ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039902	3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3',4'-methylene, 3-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039903	3,3',4,4',7-Pentahydroxylignan, 3,4:3',4'-Bis(methylene) ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039904	3,3',4,4'-Tetrahydroxylignan, 7'-Oxo, 3,4-methylene, 3'-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039905	3,4:3',4'-Bis(methylenedioxy)lignan, 7R-Hydroxy 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039906	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5'-Methoxy, 5-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039907	4-Hydroxy-3-methoxy-3',4'-methylenedioxy-7,7'-epoxylignan 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039908	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 10'-hydroxy, 6'-oxo 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039909	6-Allyl-6-[2-(3,4-dihydroxyphenyl)-1-methylethyl]-3,4-dihydroxy-2,4-cyclohexadien-1-one; 3'-Me, 4,5-methylene ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039910	7,20:12,20:15,16-Triepoxy-1,13(16),14-clerodatrien-18,19-olide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039911	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-6-oxo-2,7-octadienyl), 8-Me ether 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039912	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,7-Dimethyl-8-oxo-2,6-octadienyl)(E,E-) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039913	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Furancarbonyl) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039914	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039915	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039916	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, Angeloyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039917	8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039918	8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, Angeloyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039919	8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039920	8-Hydroxy-2-oxo-1(10),3,7(11)-guaiatrien-12,6-olide, Angeloyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039921	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methyl-4-oxo-2-butenoyl)(E-) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039922	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methyl-4-oxo-2-butenoyl)(Z-) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039923	8-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Furancarbonyl) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039924	8-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Furancarbonyl) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039925	Angelin 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039926	Antibiotic X 14881B 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039927	Arnottinin; 7-Me ether, 4'-O-angeloyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039928	Avicennol 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039929	Ceylantin; 10-O-De-Me, 10-O-(3-methyl-2-butenyl) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039930	Clarkinol 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039931	Clutiolide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039932	Cneorumchromene C 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039933	Cneorumchromone K 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039934	Coleon E 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039935	Cordatolide A 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039936	Crotofolin E 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039937	Cycloisobrachycoumarin; 5'-Oxo, 6'?,7'-epoxide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039938	Demethylcacalohastine; 14-Acetoxy, O-propanoyl 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039939	Ethuliacoumarin A 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039940	Fredericone A 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039941	Frutescin; 1'-(3-Methylbutanoyloxy) 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039942	Galeon, 8?-Hydroxy 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039943	Guianin 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039944	Homoegonol 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039945	Icetexone 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039946	Isochiliolide lactone; 8,17-Didehydro 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039947	Isoethuliacoumarin A 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039948	Isoethuliacoumarin B 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039949	Isoethuliacoumarin C 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039950	Jamesoniellide E; 20-Deoxo, 9,20-didehydro 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039951	Leptosphaerolide 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039952	Leucosykol 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039953	Liliflodione 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039954	Machilin B; 7,8-Dihydro 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039955	Machilusol F 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039956	Millinol, 4''-Hydroxy 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039957	Miroestrol; 14-Deoxy 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039958	Padocin 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039959	Piperulin B; Stereoisomer, O-de-Ac 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039960	Porosin B 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039961	Prineoparaquinone 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039962	Pseudocordatolide C 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039963	Salvianduline D 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039964	Sorbifolin 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039965	Subdidymic acid 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039966	Teuvincenone C 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039967	Thwaitesic acid 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039968	Triptophenolide; 7-Oxo, 11-hydroxy 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039969	Volkensiachromone 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039970	Welwitschic acid; 17-Oxo 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MJ039971	Xestosaprol B 	C20H22O5	342.146723	NA	MeJP	NA	NA
+MetaCyc03046	phaseollidin-hydrate []	C20H22O5	342.146724	NA	metacyc	NA	NA
+MJ039972	Alkaloid LA 4 	C19H22N2O4	342.157957	NA	MeJP	NA	NA
+MJ039973	Donine 	C19H22N2O4	342.157957	NA	MeJP	NA	NA
+MJ039974	Gelsedine; 4,20-Didehydro, 14-hydroxy 	C19H22N2O4	342.157957	NA	MeJP	NA	NA
+MJ039975	Tetrahydrocantleyine; O-(5-Vinyl-3-pyridinecarboxylate) 	C19H22N2O4	342.157957	NA	MeJP	NA	NA
+C17403	Penicillin K	C16H26N2O4S	342.1613	NA	KEGG	NA	NA
+MJ039976	Heptylpenicillin 	C16H26N2O4S	342.161328	NA	MeJP	NA	NA
+MJ039977	Sorbistin C 	C12H26N2O9	342.16383	NA	MeJP	NA	NA
+MJ039978	6-[3-(3,6-Dihydro-6-propyl-1,2-dioxin-3-yl)propyl]-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid 	C17H26O7	342.167853	NA	MeJP	NA	NA
+MJ039979	Jasmolone; O-?-D-Glucopyranoside 	C17H26O7	342.167853	NA	MeJP	NA	NA
+MJ039980	Anacine 	C18H22N4O3	342.16919	NA	MeJP	NA	NA
+C09581	Magnoflorine	C20H24NO4	342.1705	NA	KEGG	NA	NA
+C17046	Phellodendrine	C20H24NO4	342.1705	NA	KEGG	NA	NA
+MJ039981	Cryptaustoline 	C20H24NO4	342.170533	NA	MeJP	NA	NA
+MJ039982	Cyclanoline 	C20H24NO4	342.170533	NA	MeJP	NA	NA
+MJ039983	Zizyphusine 	C20H24NO4	342.170533	NA	MeJP	NA	NA
+7514	ACE inhibitor (from soy protein)	NWGPLV	342.17345	MH2+	Inhouse_peptide	NA	peptide
+8252	anticancer peptide	EQRPR	342.177	MH2+	Inhouse_peptide	NA	peptide
+3544	ACE inhibitor	LNP	342.1789	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ039984	Antibiotic TAN 2178 	C16H26N2O6	342.179086	NA	MeJP	NA	NA
+MJ039985	Eponemycin; 1''-N-Deacyl, 1''-N-butanoyl 	C16H26N2O6	342.179086	NA	MeJP	NA	NA
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR375	Aldosterone F2	NA	342.182775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR375	Aldosterone F2	NA	342.182775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR375	Aldosterone F2	NA	342.182775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR375	Aldostérone F2	F2	342.182775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR375	Aldosterone F2	NA	342.182775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR375	Aldosterone F2	F2	342.182775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ039986	11,12-Dioxo-1,10-seco-5(10),6,8,13-abietatetraen-1-oic acid; Me ester 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039987	11,20-Dihydroxy-3-oxopregna-1,4-dien-18-oic acid 18,20-lactone 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039988	19(4?3)-Abeo-11,12,14-trihydroxy-4(18),8,11,13-abietatetraen-7-one; 15,16-Didehydro, 12-Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039989	2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, Di-Ac 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039990	21-Hydroxypregna-1,4-diene-3,11,20-trione 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039991	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan, 3',4',5-Tri-Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039992	3,3',4,4'-Tetrahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039993	3,6-Dioxopregn-4-en-18,20-olide 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039994	5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone; 5-Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039995	5-Hydroxy-8(14),9(11)-vouacapadien-19-oic acid; 5?-form, Me ester 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039996	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methyl-2-pentenoyl) 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039997	9-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-nonanone 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039998	Aspergillodiol; 12-Ketone, 21-aldehyde 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ039999	Atratogenin A; 2-Ketone 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040000	Canniprene 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040001	Cordiaquinone G 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040002	Demethylcacalohastine; 14-(3-Methylbutanoyloxy), Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040003	Galeon, 10R-Alcohol, 4-Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040004	Lifibrol 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040005	Malabaricone A; 4'-Hydroxy 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040006	Nitenin; 7,8?-Dihydro 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040007	Panicein G 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040008	Preracemosol A 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040009	Strobilurin A; 3'-(3-Methyl-2-butenyloxy) 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040010	Triptophenolide; 11-Hydroxy, Me ether 	C21H26O4	342.183109	NA	MeJP	NA	NA
+MJ040011	Bhesine; 1,2-Didehydro 	C22H22N4	342.184446	NA	MeJP	NA	NA
+MJ040012	Glomerulatine A 	C22H22N4	342.184446	NA	MeJP	NA	NA
+PJ000399	PVQ 	C15H26N4O5	342.1903	NA	PeJP	NA	NA
+C06496	Compound IV	C20H26N2O3	342.1943	NA	KEGG	NA	NA
+MJ040013	6-Amino-17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040014	Ajmaline; 11-Hydroxy 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040015	Ajmaline; 12-Hydroxy 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040016	Ajmalinine 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040017	Cilostamide 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040018	Disoxaril 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040019	Erichsonine 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040020	Iboxygaine hydroxyindolenine 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040021	Macroxine 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040022	Raumacline; 6?-Hydroxy 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040023	Sceletium Dihydropyridone base 	C20H26N2O3	342.194342	NA	MeJP	NA	NA
+MJ040024	C-Alkaloid Y 	C20H27N2O3(+)	342.194342	NA	MeJP	NA	NA
+MJ040025	Egregiachloride A; 6,7-Dihydro 	C19H31ClO3	342.196172	NA	MeJP	NA	NA
+PJ000400	APR 	C14H26N6O4	342.2016	NA	PeJP	NA	NA
+MJ040026	11-Hydroxy-9,15,16-trioxooctadecanoic acid 	C18H30O6	342.204238	NA	MeJP	NA	NA
+MJ040027	12-Hydroxy-13-(hydroxymethyl)-3,5,7-trimethyl-2,4-tetradecadiene-1,14-dioic acid 	C18H30O6	342.204238	NA	MeJP	NA	NA
+MJ040028	3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)-?-oxocyclopentanepentanoic acid 	C18H30O6	342.204238	NA	MeJP	NA	NA
+MJ040029	5-[Tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1-octenyl)-2H-pyran-3-yl]-3-pentenoic acid 	C18H30O6	342.204238	NA	MeJP	NA	NA
+MJ040030	Albocycline M8 	C18H30O6	342.204238	NA	MeJP	NA	NA
+MJ040031	Botryaloic acid; 15-Alcohol, 10-carboxylic acid, 4-Ac, Me ester 	C18H30O6	342.204238	NA	MeJP	NA	NA
+HMDB02904	2,3-Dinor-TXB2	C18H30O6	342.20425	http://www.hmdb.ca/metabolites/HMDB02904	HMDB	NA	NA
+HMDB02904	2,3-Dinor-TXB2	C18H30O6	342.20425	HMDB02904	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02277	2,3-Dinor-6-keto-prostaglandin F1 a	C18H30O6	342.204254	NA	HMDB2010	NA	NA
+HMDB02904	2,3-Dinor-TXB2	C18H30O6	342.204254	NA	HMDB2010	NA	NA
+MJ040032	2,3-Dihydro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-3-(1-methylethyl)-2-oxo-1H-benzimidazole-1-carboxamide 	C19H26N4O2	342.205576	NA	MeJP	NA	NA
+MJ040033	Armepavine, O,N-Di-Me 	C21H28NO3	342.206918	NA	MeJP	NA	NA
+MJ040034	Spirogermanium 	C17H36GeN2	342.209027	NA	MeJP	NA	NA
+3975	ACE inhibitor	VPK	342.214	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ040035	3-[3-Methyl-1-(3-methylbutylcarbamoyl)butylcarbamoyl]-2-oxiranecarboxylic acid; Et ester 	C17H30N2O5	342.215472	NA	MeJP	NA	NA
+HMDB02726	Guggulsterone	C22H30O3	342.21948	http://www.hmdb.ca/metabolites/HMDB02726	HMDB	NA	NA
+HMDB02726	Guggulsterone	C22H30O3	342.21948	HMDB02726	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02726	Guggulsterone	C22H30O3	342.219482	NA	HMDB2010	NA	NA
+MJ040036	1,11-Bis(3-furanyl)-4,8-dimethyl-5,8-undecadien-4-ol; Me ether 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040037	2,5-Dihydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzaldehyde 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040038	2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid, 14',15'-Didehydro 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040039	3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-5-(3-methyl-2-butenyl)benzoic acid 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040040	4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040041	6,8-Kempadiene-3,14-diol, 3-Ketone, 14-Ac 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040042	6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 1,4-Quinone, 2-Me ether 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040043	6-Hydroxy-8(13),11(20),14-amphilectatrien-2-one, Ac 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040044	8,10,12,14-Epiamphilectatetraene-9,10-diol, 10-Ac 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040045	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-Ac 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040046	8,11,13-Abietatriene-7,18-diol; 7?-form, 18-Ac, 7-ketone 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040047	8-Daucene-4,6-diol, 6-Benzoyl 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040048	Avarol; 2',5'-Quinone, 3'-methoxy 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040049	Avarol; 2',5'-Quinone, 4'-methoxy 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040050	Avarol; ?4(12)-Isomer, 2',5'-quinone, 4'-methoxy 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040051	Buxatenone; 11?-Hydroxy 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040052	Endrisone 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040053	Furodendin 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040054	Furospongin 1; 11,12E-Didehydro, Me ether 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040055	Longithorol C; 1-Me ether 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040056	Megestrol 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040057	Photodeoxytridachione 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040058	Siccanin 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040059	Siccanochromene B 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040060	Siccanochromene D; 4,5-Didehydro 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040061	Siccanochromene D; Aldehyde 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040062	Siccanochromene E 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040063	Spongiaquinone; 1'-Deoxy 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040064	Tridachione, Deepoxy, 9,10-didehydro 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040065	Trimegestone 	C22H30O3	342.219494	NA	MeJP	NA	NA
+MJ040066	Zonaroic acid 	C22H30O3	342.219494	NA	MeJP	NA	NA
+C07120	Megestrol	C22H30O3	342.2195	NA	KEGG	NA	NA
+C07122	Transferred to D00369	C22H30O3	342.2195	NA	KEGG	NA	NA
+C14632	6alpha-Methylpregn-4-ene-3,11,20-trione	C22H30O3	342.2195	NA	KEGG	NA	NA
+C15301	2alpha-Methylpregn-4-ene-3,11,20-trione	C22H30O3	342.2195	NA	KEGG	NA	NA
+C15467	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-	C22H30O3	342.2195	NA	KEGG	NA	NA
+PJ000401	PVK 	C16H30N4O4	342.2267	NA	PeJP	NA	NA
+MJ040067	16,17,15,20-Tetrahydrosecodine 	C21H30N2O2	342.230728	NA	MeJP	NA	NA
+MJ040068	Pyrifolidine, N-De-Ac 	C21H30N2O2	342.230728	NA	MeJP	NA	NA
+MJ040069	Quinicinol; 10,11-Dihydro, N-Me 	C21H30N2O2	342.230728	NA	MeJP	NA	NA
+MJ040070	Quinicinol; 9-Epimer, 10,11-dihydro, N-Me 	C21H30N2O2	342.230728	NA	MeJP	NA	NA
+MJ040071	Sandwicoline 	C21H30N2O2	342.230728	NA	MeJP	NA	NA
+MJ040072	Secodine; 15,16,17,20-Tetrahydro 	C21H30N2O2	342.230728	NA	MeJP	NA	NA
+HMDB06001	3'-Hydroxystanozolol 	C21H30N2O2	342.23074	http://www.hmdb.ca/metabolites/HMDB06001	HMDB	NA	NA
+HMDB06001	3'-Hydroxystanozolol 	C21H30N2O2	342.23074	HMDB06001	PFEM_hmdb_metabocards_official	NA	NA
+MJ040073	2-Methyl-3-tetradecyl-2-butenedioic acid; 1''-Hydroxy 	C19H34O5	342.240624	NA	MeJP	NA	NA
+MJ040074	9,13-Dihydroxy-10-oxo-11-octadecenoic acid, 9-Me ether 	C19H34O5	342.240624	NA	MeJP	NA	NA
+MJ040075	3-(8,11,14-Heptadecatrienyl)-1,2-benzenediol 	C23H34O2	342.25588	NA	MeJP	NA	NA
+MJ040076	5-Heptadecyl-1,3-benzenediol; 8',9',11',12',14',15'-Hexadehydro(all-Z) 	C23H34O2	342.25588	NA	MeJP	NA	NA
+MJ040077	6,8-Tricosadiene-4,19-diynoic acid 	C23H34O2	342.25588	NA	MeJP	NA	NA
+MJ040078	Nostocyclyne A 	C23H34O2	342.25588	NA	MeJP	NA	NA
+MJ040079	15-Formylamino-8-isocyano-11(20)-amphilectene 	C22H34N2O	342.267113	NA	MeJP	NA	NA
+MJ040080	Hachijodines; Hachijodine G 	C22H34N2O	342.267113	NA	MeJP	NA	NA
+MJ040081	Niphatesine F 	C22H34N2O	342.267113	NA	MeJP	NA	NA
+MJ040082	Pulcherrimol 	C22H34N2O	342.267113	NA	MeJP	NA	NA
+MJ040083	Stirocainide 	C22H34N2O	342.267113	NA	MeJP	NA	NA
+MJ040084	2,6-Phytadiene-1,16,17,18-tetrol 	C20H38O4	342.277009	NA	MeJP	NA	NA
+MJ040085	3-Hydroxy-16-methylheptadecanoic acid; Ac 	C20H38O4	342.277009	NA	MeJP	NA	NA
+MJ040086	5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 3,5-Dimethyl-5-tridecyl-1,2-dioxolane-3-acetic acid 	C20H38O4	342.277009	NA	MeJP	NA	NA
+MJ040087	Eicosanedioic acid 	C20H38O4	342.277009	NA	MeJP	NA	NA
+MJ040088	Conarrhimine; N3,N23-Di-Me 	C23H38N2	342.303499	NA	MeJP	NA	NA
+MJ040089	Conarrhimine; N3,N3-Di-Me 	C23H38N2	342.303499	NA	MeJP	NA	NA
+HMDB11153	MG(P-18:0e/0:0/0:0)	C21H42O3	342.313385	NA	HMDB2010	NA	NA
+MJ040090	14-Hydroxyheneicosanoic acid 	C21H42O3	342.313395	NA	MeJP	NA	NA
+MJ040091	15-Hydroxyheneicosanoic acid 	C21H42O3	342.313395	NA	MeJP	NA	NA
+MJ040092	2-Decyl-5-(4,7-dihydroxyheptyl)tetrahydrofuran 	C21H42O3	342.313395	NA	MeJP	NA	NA
+MJ040093	2-Hydroxyheneicosanoic acid 	C21H42O3	342.313395	NA	MeJP	NA	NA
+MJ040094	3-(11-Octadecenyloxy)-1,2-propanediol 	C21H42O3	342.313395	NA	MeJP	NA	NA
+MJ040095	3-(9-Octadecenyloxy)-1,2-propanediol 	C21H42O3	342.313395	NA	MeJP	NA	NA
+C13860	1-O-Octadec-9-enyl glycerol	C21H42O3	342.3134	NA	KEGG	NA	NA
+MJ040096	2,6,14-Trimethyl-10-methylene-9-(3-methyl-4-pentenyl)-6-pentadecene; 2,3,13,14-Tetradehydro 	C25H42	342.328651	NA	MeJP	NA	NA
+MJ040097	6-(1,5-Dimethyl-4-hexenyl)-3,9,13-trimethyl-1,5,8,12-tetradecatetraene 	C25H42	342.328651	NA	MeJP	NA	NA
+MJ040098	1,22-Docosanediol 	C22H46O2	342.34978	NA	MeJP	NA	NA
+MJ040099	1,3-Docosanediol 	C22H46O2	342.34978	NA	MeJP	NA	NA
+3642	NA	YPFGFG~	342.6545	MH2+	Inhouse_peptide	NA	peptide
+MJ040100	Manzacidin B; 5-Deoxy 	C12H14BrN3O4	343.016768	NA	MeJP	NA	NA
+MJ040101	Cortamidine oxide 	C13H17N3O4S2	343.066047	NA	MeJP	NA	NA
+MJ040102	3,4,6-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4-Me ether, Me ester 	C17H13NO7	343.069201	NA	MeJP	NA	NA
+MJ040103	Ipsalazide 	C16H13N3O6	343.080435	NA	MeJP	NA	NA
+MJ040104	5-[2-[4-(Trifluoromethyl)phenyl]ethenyl]-1,3-dioxolo[4,5-g]isoquinoline 	C19H12F3NO2	343.082013	NA	MeJP	NA	NA
+MJ040105	N-(7-Mercaptoheptanoyl)threonine O3-phosphate 	C11H22NO7PS	343.085459	NA	MeJP	NA	NA
+MetaCyc03047	coenzyme B [N-(7-mercaptoheptanoyl)-3-O-phosphono-L-threonine;N-(7-mercaptoheptanoyl)threonine 3-O-phosphate;CoB;H-S-CoB;7-mercaptoheptanoyl threonine phosphate;HS-HTP;N-(7-mercaptoheptanoyl)-L-threonine 3-O-phosphate;N-(7-mercaptoheptanoyl)-3-phospho-L-threonine;N-(7-sulfanylheptanoyl)-L-threonine 3-O-phosphate;N-(7-sulfanylheptanoyl)-3-O-phosphono-L-threonine;N-(7-sulfanylheptanoyl)-3-phospho-L-threonine;N-(7-mercaptoheptanoyl)threonine O3-phosphate;]	C11H22N1O7P1S1	343.085459	NA	metacyc	NA	NA
+C04628	N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate	C11H22NO7PS	343.0855	NA	KEGG	NA	NA
+MJ040106	Bromopride 	C14H22BrN3O2	343.089539	NA	MeJP	NA	NA
+C15772	DIBOA-glucoside	C14H17NO9	343.0903	NA	KEGG	NA	NA
+C15773	Bleomycin	C50H71N16O21S2R	343.0903	NA	KEGG	NA	NA
+C15774	Bleomycin A	C53H78N17O21S2R	343.0903	NA	KEGG	NA	NA
+C15775	Bleomycin B	C50H72N17O21S2R	343.0903	NA	KEGG	NA	NA
+MJ040107	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 2-O-?-D-Glucopyranoside 	C14H17NO9	343.090331	NA	MeJP	NA	NA
+MJ040108	2-Hydroxy-2H-1,4-benzoxazin-3(4H)-one; N-Hydroxy, 2-O-?-D-glucopyranoside 	C14H17NO9	343.090331	NA	MeJP	NA	NA
+MetaCyc03048	DIBOA-Glc [DIBOA-glucoside;2-(2,4-dihydroxy-1,4-benzoxazin-3-one)-&beta;-D-glucopyranose;]	C14H17N1O9	343.090331	NA	metacyc	NA	NA
+MJ040109	Clotiapine 	C18H18ClN3S	343.090995	NA	MeJP	NA	NA
+MJ040110	Arcyriarubin A; 6'-Hydroxy 	C20H13N3O3	343.095691	NA	MeJP	NA	NA
+MJ040111	Arcyroxocin A; 4c,4d-Dihydro 	C20H13N3O3	343.095691	NA	MeJP	NA	NA
+MJ040112	Violacein 	C20H13N3O3	343.095691	NA	MeJP	NA	NA
+MetaCyc03049	violacein [5-(5-hydroxy-3-indolyl)-3-(3-oxinodolylidene)-2-oxopyrroline;]	C20H13N3O3	343.095691	NA	metacyc	NA	NA
+MJ040113	Auxarconjugatin A 	C19H18ClNO3	343.097521	NA	MeJP	NA	NA
+MJ040114	Picoprazole 	C17H17N3O3S	343.099062	NA	MeJP	NA	NA
+MJ040115	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N-(4-Hydroxycinnamoyl)(E-) 	C18H17NO6	343.105587	NA	MeJP	NA	NA
+MJ040116	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, N-(4-Hydroxycinnamoyl)(Z-) 	C18H17NO6	343.105587	NA	MeJP	NA	NA
+MJ040117	Tecleanthine; 7-Methoxy 	C18H17NO6	343.105587	NA	MeJP	NA	NA
+MJ040118	Tyrosine, O-(3,4-Dihydroxycinnamoyl)(E-) 	C18H17NO6	343.105587	NA	MeJP	NA	NA
+MJ040119	6-Amino-5-chloro-2-(1-methyl-4-piperidinyl)-1H-benz[de]isoquinoline-1,3(2H)-dione 	C18H18ClN3O2	343.108754	NA	MeJP	NA	NA
+CJneg0544	N2-methylguanosine [(M-H)+(HCOOH)]-	C12H16N5O7	343.113325	C18rt(min)=4.52 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0544	N2-methylguanosine [(M-H)+(HCOOH)]-	C12H16N5O7	343.113325	C18rt(min)=4.52 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ040120	Uvarindole C 	C22H17NO3	343.120843	NA	MeJP	NA	NA
+MetaCyc03050	lactulose [CEPHULAC (TN);]	C12H23O11	343.124037	4618-18-2	metacyc	NA	NA
+MJ040121	Lithospermoside; 4-Me ether 	C15H21NO8	343.126716	NA	MeJP	NA	NA
+MJ040122	Tyrosine, O-?-D-Glucopyranoside 	C15H21NO8	343.126716	NA	MeJP	NA	NA
+PJ000402	GMH 	C13H21N5O4S	343.1314	NA	PeJP	NA	NA
+MJ040123	Chondriamide A; 7-Hydroxy 	C21H17N3O2	343.132076	NA	MeJP	NA	NA
+3825	NA	GYYPTS	343.139	MH2+	Inhouse_peptide	NA	peptide
+MJ040124	3-Demethylcolchicine; De-Ac 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040125	4-(2-Aminoethyl)phenol; N-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040126	4-Hydroxy-3-methoxyphenethylamine; N-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040127	4-Hydroxy-3-methoxyphenethylamine; N-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040128	Alkaloid LA 6 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040129	Caseamine; ?-N-Oxide 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040130	Cularine, O6-De-Me, N-Oxide (?-) 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040131	Cularine, O6-De-Me, N-Oxide (?-) 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040132	Danguyelline 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040133	Delavaine; N-De-Me 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040134	Erythraline, 11?-Methoxy, N-oxide 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040135	Haemanthamine, O-Ac 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040136	Homolycorine; O9-De-Me, O9-Ac 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040137	Limousamine 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040138	Montanine; Ac 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040139	N-(3,4-Dihydroxycinnamoyl)dopamine, 3,3'-Di-Me ether 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040140	N-(3,4-Dihydroxycinnamoyl)dopamine, 3,4'-Di-Me ether 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040141	N-Deacetylcolchiceine 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040142	Prostephanaberrine 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040143	Salutaridine, N-Oxide 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040144	Sarcocapnidine; 4R-Hydroxy 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040145	Sarcocapnidine; N-Oxide (?-) 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040146	Thalicsimidine, O3,O9,N-Tri-de-Me 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040147	Thaliporphine, 4?-Hydroxy, N-de-Me 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040148	[[4-[4-Hydroxy-3-(1-methylethyl)phenoxy]-3,5-dimethylphenyl]amino]oxoacetic acid 	C19H21NO5	343.141972	NA	MeJP	NA	NA
+MJ040149	Amphistin 	C13H21N5O6	343.149183	NA	MeJP	NA	NA
+PJ000403	STH 	C13H21N5O6	343.1492	NA	PeJP	NA	NA
+C12677	Acrinol	C15H15N3O	343.1532	NA	KEGG	NA	NA
+MJ040150	Mazethramycin A; Me ether 	C18H21N3O4	343.153206	NA	MeJP	NA	NA
+MJ040151	Porothramycin A 	C18H21N3O4	343.153206	NA	MeJP	NA	NA
+PJ000404	PPM 	C15H25N3O4S	343.1566	NA	PeJP	NA	NA
+3575	NA	QPQAFP	343.1625	MH2+	Inhouse_peptide	NA	peptide
+7542	ACE inhibitor	DLP	343.1629	antioxidative	Inhouse_peptide	NA	peptide
+MJ040152	Clemastine 	C21H26ClNO	343.170292	NA	MeJP	NA	NA
+C06913	Clemastine	C21H26ClNO	343.1703	NA	KEGG	NA	NA
+MJ040153	Thiambutosine 	C19H25N3OS	343.171833	NA	MeJP	NA	NA
+PJ000405	PVE 	C15H25N3O6	343.1744	NA	PeJP	NA	NA
+MJ040154	1,6-Didehydro-3,16-dimethoxyerythrinan-15-carboxylic acid; Me ester 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040155	Anomuricine; Me ether 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040156	Armepavine, Me ether, N-oxide 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040157	Bernumicine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040158	Cilomilast 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040159	Codamine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040160	Cohirsine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040161	Crassifoline methine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040162	Cryptostyline II 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040163	Delbidine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040164	Dyshomerythrine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040165	Erybidine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040166	Erythrartine; Me ether 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040167	Erythrococcamide A 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040168	Higenamine, O,O,O-Tri-Me, N-oxide 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040169	Kreysiginone; Natural-form, 9,10-Dihydro 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040170	Laudanidine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040171	Luteidine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040172	Pallidinine, Me ether 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040173	Pseudolaudanine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040174	Roemerialinone; 7a-Epimer, 8,9-Dihydro 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040175	Sendaverine; 3'-Methoxy, O7-Me 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040176	Thalifendlerine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040177	Wilsonine 	C20H25NO4	343.178358	NA	MeJP	NA	NA
+MJ040178	Crassifoline, N-Me 	C20H26NO4(+)	343.178358	NA	MeJP	NA	NA
+MJ040179	Reticuline, N-Me 	C20H26NO4(+)	343.178358	NA	MeJP	NA	NA
+C09555	(-)-Laudanidine	C20H25NO4	343.1784	NA	KEGG	NA	NA
+C15430	3-Hydroxyestra-1,3,5(10)-trien-17-one O-(carboxymethyl)oxime	C20H25NO4	343.1784	NA	KEGG	NA	NA
+C17592	Laudanine	C20H25NO4	343.1784	NA	KEGG	NA	NA
+MJ040180	Aplysepine 	C19H25N3O3	343.189591	NA	MeJP	NA	NA
+MJ040181	Indolactam V, O-Ac 	C19H25N3O3	343.189591	NA	MeJP	NA	NA
+2651	synthetic fr, of human beta-CN (168-173) ACE inhibitor	VLPYPV	343.1935	MH2+	Inhouse_peptide	NA	peptide
+C16548	N,N-Didesmethyltamoxifen	C24H25NO	343.1936	NA	KEGG	NA	NA
+MJ040182	Floridimine; 3'-Ac 	C17H29NO6	343.199487	NA	MeJP	NA	NA
+MJ040183	(2,4-Dimethoxy-3-prenylcinnamoyl)piperidine 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040184	2-Nonyl-4(1H)-quinolinone; NH-form, N-Acetoxymethyl 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040185	Isopiperolein B 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040186	Pipernonaline; 2,3-Dihydro 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040187	Polysignine 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040188	Smenospongine 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040189	Yesonine 	C21H29NO3	343.214743	NA	MeJP	NA	NA
+MJ040190	Cinchocaine 	C20H29N3O2	343.225977	NA	MeJP	NA	NA
+C07879	Dibucaine	C20H29N3O2	343.226	NA	KEGG	NA	NA
+MJ040191	Broussonetine U 	C18H33NO5	343.235873	NA	MeJP	NA	NA
+MJ040192	Broussonetinine A; 4-Epimer, 10'-deoxo, 9'-oxo, 3',4'-didehydro(E-) 	C18H33NO5	343.235873	NA	MeJP	NA	NA
+MJ040193	Broussonetinine A; 4-Epimer, 3',4'-didehydro(E-) 	C18H33NO5	343.235873	NA	MeJP	NA	NA
+3421	ACE inhibitor	LVL	343.236	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ000406	VLL 	C17H33N3O4	343.2471	NA	PeJP	NA	NA
+MJ040194	Leucylvalylleucine; L-L-L-form 	C17H33N3O4	343.247106	NA	MeJP	NA	NA
+C06092	Veatchine	C22H33NO2	343.2511	NA	KEGG	NA	NA
+C08660	Atisine	C22H33NO2	343.2511	NA	KEGG	NA	NA
+C08672	Cuauchichicine	C22H33NO2	343.2511	NA	KEGG	NA	NA
+C08680	Denudatine	C22H33NO2	343.2511	NA	KEGG	NA	NA
+C08685	Garryine	C22H33NO2	343.2511	NA	KEGG	NA	NA
+C10814	Paravallarine	C22H33NO2	343.2511	NA	KEGG	NA	NA
+MJ040195	Veatchine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040196	20-Aminopregna-1,4-dien-3-one, 18-Hydroxy, N-Me 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040197	Ajabicine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040198	Atidine; 7-Deoxo, 2'-aldehyde 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040199	Atisine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040200	Cuauchichicine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040201	Denudatine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040202	Garryine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040203	Himgravine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040204	Isoatisine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040205	Isocuauchichicine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040206	N-(4-Hydroxyphenethyl)-2,4-tetradecadienamide 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040207	Paravallarine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040208	Porantherilidine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040209	Samandenone 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040210	Veatchine 	C22H33NO2	343.251129	NA	MeJP	NA	NA
+MJ040211	Oxapium(1+) 	C22H34NO2(+)	343.251129	NA	MeJP	NA	NA
+MJ040212	Sitamaquine 	C21H33N3O	343.262362	NA	MeJP	NA	NA
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	343.272247	NA	HMDB2010	NA	NA
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	343.27225	http://www.hmdb.ca/metabolites/HMDB02250	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	343.27225	http://www.hmdb.ca/metabolites/HMDB02250	HMDB	NA	NA
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	343.27225	Tripeptides  ;SYN:Epsilon-(gamma-glu)-LYS; Epsilon-(gamma-l-glutamyl)-l-lysine; Epsilon-(gamma-glutamyl)lysine; Epsilon-(gamma-glutamyl)-lysine; Epsilon-(gamma-glutamyl)lysine isodipeptide; N(epsilon)-(gamma-glutamyl)-lysine; N(6)-L-gamma-Glutamyl-L-lysineH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	343.27225	http://www.hmdb.ca/metabolites/HMDB02250	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02250	Dodecanoylcarnitine	C19H37NO4	343.27225	HMDB02250	PFEM_hmdb_metabocards_official	NA	NA
+MJ040213	17-Oxocycloprotobuxine 	C23H37NO	343.287514	NA	MeJP	NA	NA
+MJ040214	20-Aminopregn-4-en-3-one, N,N-Di-Me 	C23H37NO	343.287514	NA	MeJP	NA	NA
+MJ040215	3-Aminopregn-16-en-20-one, N-Di-Me 	C23H37NO	343.287514	NA	MeJP	NA	NA
+MJ040216	3-Aminopregn-17(20)-en-16-one, N,N-Di-Me 	C23H37NO	343.287514	NA	MeJP	NA	NA
+MJ040217	3-Aminopregn-5-en-20-one, N,N-Di-Me 	C23H37NO	343.287514	NA	MeJP	NA	NA
+MJ040218	3-Aminopregn-5-en-20-one; 3?-form, N,N-Di-Me 	C23H37NO	343.287514	NA	MeJP	NA	NA
+MJ040219	Buxandonine L; Deoxo 	C24H41N	343.3239	NA	MeJP	NA	NA
+MJ040220	2,3,5-Tribromo-1,4-benzenediol 	C6H3Br3O2	343.768317	NA	MeJP	NA	NA
+MJ040221	3-Bromo-4-(3-bromo-2-nitrophenyl)-1H-pyrrole 	C10H6Br2N2O2	343.879602	NA	MeJP	NA	NA
+MJ040222	1,6-Dibromo-2-chloro-3(8)-ochtoden-4-ol 	C10H15Br2ClO	343.917818	NA	MeJP	NA	NA
+MJ040223	1,6-Dibromo-8-chloro-2-ochtoden-4-ol 	C10H15Br2ClO	343.917818	NA	MeJP	NA	NA
+MJ040224	Aplysiapyranoid A 	C10H15Br2ClO	343.917818	NA	MeJP	NA	NA
+MJ040225	Pantoneurine A 	C10H15Br2ClO	343.917818	NA	MeJP	NA	NA
+MJ040226	5,6-Dibromotryptamine; Nb,Nb-Di-Me 	C12H14Br2N2	343.952373	NA	MeJP	NA	NA
+MJ040227	Niclofolan 	C12H6Cl2N2O6	343.960291	NA	MeJP	NA	NA
+MJ040228	Bis(4-methylphenyl)iodonium(1+); Chloride 	C14H14ClI	343.982871	NA	MeJP	NA	NA
+MJ040229	2,5-Dihydroxybenzenesulfonic acid; 5-(4-Methylbenzenesulfonate) 	C13H12O7S2	344.002444	NA	MeJP	NA	NA
+MJ040230	Austocystin A; 4,6-O-Di-de-Me 	C17H9ClO6	344.008765	NA	MeJP	NA	NA
+MJ040231	Slagenine A 	C11H13BrN4O4	344.012017	NA	MeJP	NA	NA
+C11043	Methoxychlor	C16H15Cl3O2	344.0138	NA	KEGG	NA	NA
+MJ040232	Chondriol 	C15H18BrClO2	344.01787	NA	MeJP	NA	NA
+MJ040233	Venustin, 9?,10?-Epoxide 	C15H18BrClO2	344.01787	NA	MeJP	NA	NA
+MJ040234	Galactaric acid; 1,4-Lactone, 2-O-(3,4,5-trihydroxybenzoyl) 	C13H12O11	344.037961	NA	MeJP	NA	NA
+MJ040235	Galactaric acid; 1,4-Lactone, 3-O-(3,4,5-trihydroxybenzoyl) 	C13H12O11	344.037961	NA	MeJP	NA	NA
+MJ040236	Galactaric acid; 1,4-Lactone, 5-O-(3,4,5-trihydroxybenzoyl) 	C13H12O11	344.037961	NA	MeJP	NA	NA
+C11719	L787257	C17H13ClN2O2S	344.0386	NA	KEGG	NA	NA
+HMDB11683	Molybdopterin precursor Z	C10H11N5O7P	344.039612	NA	HMDB2010	NA	NA
+MJ040237	18-Bromo-9,13,17-octadecatriene-5,7,15-triynoic acid 	C18H17BrO2	344.041192	NA	MeJP	NA	NA
+C10836	3,4,3'-Tri-O-methylellagic acid	C17H12O8	344.0532	NA	KEGG	NA	NA
+FL5FECNS0039	5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone	C17H12O8	344.05321	36284-99-8	knapsack	NA	NA
+FL5FECNS0045	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone;7,9-Dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	C17H12O8	344.05321	261961-81-3	knapsack	NA	NA
+FL5FFANS0017	Herbacetin 8-acetate	C17H12O8	344.05321	83677-10-5	knapsack	NA	NA
+FL5FFCNS0030	Wharangin	C17H12O8	344.05321	571-73-3	knapsack	NA	NA
+FL5FPTNS0002	Benthamianin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one	C17H12O8	344.05321	53766-41-9	knapsack	NA	NA
+MJ040238	1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 6-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040239	1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 8-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040240	1,6,7,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 6-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040241	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040242	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 4'-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040243	3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Methylene, 3-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040244	3,4',5,7,8-Pentahydroxyflavone; 8-Ac 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040245	3,4,8,9,10-Pentahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7-(5H)-one; 9-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040246	Aflatoxin GM1 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040247	Ambicromil 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040248	Ellagic acid; 2,3,7-Tri-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040249	Ellagic acid; 2,3,8-Tri-Me ether 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040250	Psoromic acid; O-De-Me 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040251	Scapaniapyrone A; 3,4?-Dihydro 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040252	Subpsoromic acid 	C17H12O8	344.053217	NA	MeJP	NA	NA
+MJ040253	Aplysistatin; 6?-Hydroxy 	C15H21BrO4	344.062321	NA	MeJP	NA	NA
+MJ040254	Diphenyl ether-3,3',5,5'-tetracarboxylic acid; 3,3'-Diamide 	C16H12N2O7	344.06445	NA	MeJP	NA	NA
+MJ040255	Antibiotic C 1778B 	C13H16N2O7S	344.067821	NA	MeJP	NA	NA
+MJ040256	Balsaminone A 	C21H12O5	344.068473	NA	MeJP	NA	NA
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR247	Thiamine monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR247	Thiamine monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR247	Thiamine monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR247	Thiamine monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR247	Thiamin monophosphate F1	NA	344.070675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR206	thiamin monophosphate	C12H17N4O4PS	344.0708	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR206	thiamin monophosphate	C12H17N4O4PS	344.0708	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR206	thiamin monophosphate	C12H17N4O4PS	344.0708	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR206	thiamin monophosphate	C12H17N4O4PS	344.0708	Wishlist	Inhousejuil11	NA	NA
+HMDB02666	Thiamine monophosphate	C12H17N4O4PS	344.070801	NA	HMDB2010	NA	NA
+MJ040257	Sechulin 	C18H16O5S	344.071844	NA	MeJP	NA	NA
+C08241	Sodium	C12H17O10	344.0719	NA	KEGG	NA	NA
+C17572	Bluensidine 6-phosphate	C8H17N4O9P	344.0733	NA	KEGG	NA	NA
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR240	Thiamine pyrophosphate F2	NA	344.073875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR240	Thiamine pyrophosphate F2	NA	344.073875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR240	Thiamine pyrophosphate F2	NA	344.073875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR240	Thiamine pyrophosphate F2	NA	344.073875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR240	Thiamin pyrophosphate F2	F2	344.073875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C10834	Theogallin	C14H16O10	344.0743	NA	KEGG	NA	NA
+MJ040258	Quinic acid, 3-O-(3,4,5-Trihydroxybenzoyl) 	C14H16O10	344.074346	NA	MeJP	NA	NA
+MJ040259	Quinic acid, 4-O-(3,4,5-Trihydroxybenzoyl) 	C14H16O10	344.074346	NA	MeJP	NA	NA
+MJ040260	Quinic acid, 5-O-(3,4,5-Trihydroxybenzoyl) 	C14H16O10	344.074346	NA	MeJP	NA	NA
+MJ040261	Octosyl acid B 	C13H16N2O9	344.08558	NA	MeJP	NA	NA
+C04444	3',5-Dihydroxy-3,4',7-trimethoxyflavone	C18H16O7	344.0896	NA	KEGG	NA	NA
+C05153	7-Hydroxy-(S)-usnate	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10032	Cirsilineol	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10040	Eupatilin	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10101	(-)-Usnic acid	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10111	Nevadensin	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10117	Pachypodol	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10180	Santin	C18H16O7	344.0896	NA	KEGG	NA	NA
+C10189	Tambulin	C18H16O7	344.0896	NA	KEGG	NA	NA
+C14476	Xanthomicrol	C18H16O7	344.0896	NA	KEGG	NA	NA
+C17040	Obtusin	C18H16O7	344.0896	NA	KEGG	NA	NA
+FL1AECNS0001	Hamiltrone;DR 30;3',4'-Dihydroxy-4,5,6-trimethoxyaurone	C18H16O7	344.0896	205444-63-9	knapsack	NA	NA
+FL1CECNS0002	Agestricin A	C18H16O7	344.0896	85563-73-1	knapsack	NA	NA
+FL2FECNS0004	Agestricin B	C18H16O7	344.0896	85563-74-2	knapsack	NA	NA
+FL2FQUNM0001	Breverin	C18H16O7	344.0896	41407-48-1	knapsack	NA	NA
+FL3F2GNS0001	Prosogerin E	C18H16O7	344.0896	79492-73-2	knapsack	NA	NA
+FL3F3GNS0001	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone	C18H16O7	344.0896	133343-00-7	knapsack	NA	NA
+FL3F9GNS0004	5,5'-Dihydroxy-8,3',4'-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	177602-72-1	knapsack	NA	NA
+FL3FAKNS0002	Tricetin 3',4',5'-trimethyl ether;5,7-Dihydroxy-3',4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C18H16O7	344.0896	18103-42-9	knapsack	NA	NA
+FL3FCINS0001	5,4'-dihydroxy-7,3',5'-trimethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	107316-94-9	knapsack	NA	NA
+FL3FCKNS0002	Lethedocin;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	178664-72-7	knapsack	NA	NA
+FL3FECNS0002	Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	22368-21-4	knapsack	NA	NA
+FL3FECNS0013	Eupatorin;3',5-Dihydroxy-4',6,7-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	855-96-9	knapsack	NA	NA
+FL3FECNS0014	6-Hydroxyluteolin 7,3',4'-trimethyl ether;5,6-Dihydroxy-7,3',4'-Trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	25782-23-4	knapsack	NA	NA
+FL3FECNS0020	3',4'-Dihydroxy-5,6,7-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	51145-79-0	knapsack	NA	NA
+FL3FECNS0023	Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone	C18H16O7	344.0896	41365-32-6	knapsack	NA	NA
+FL3FF8NS0006	Wightin	C18H16O7	344.0896	4825-18-7	knapsack	NA	NA
+FL3FF8NS0010	Rivularin (flavone);5-Hydroxy-2-(2-hydroxy-6-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	70028-59-0	knapsack	NA	NA
+FL3FF8NS0011	5,7-Dihydroxy-8,2',6'-trimethoxyflavone	C18H16O7	344.0896	102273-93-8	knapsack	NA	NA
+FL3FF9NS0008	5,7-Dihydroxy-8,3',5'trimethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	618889-78-4	knapsack	NA	NA
+FL3FFCNS0005	Hypolaetin 8,3',4'-trimethyl ether;5,7-Dihydroxy-8,3',4'-trimethoxyflavone;3',4'-Dimethoxywogonin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	36810-81-8	knapsack	NA	NA
+FL3FFCNS0008	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone;8-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	89456-38-2	knapsack	NA	NA
+FL3FG8NS0003	Tenaxin I	C18H16O7	344.0896	86926-52-5	knapsack	NA	NA
+FL3FGANS0001	Nevadensin	C18H16O7	344.0896	10176-66-6	knapsack	NA	NA
+FL3FGANS0006	Xanthomicrol;5-Hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	16545-23-6	knapsack	NA	NA
+FL3FGANS0007	Pedunculin	C18H16O7	344.0896	2798-22-3	knapsack	NA	NA
+FL3FGANS0008	5,6-Dihydroxy-7,8,4'-trimethoxyflavone	C18H16O7	344.0896	54288-57-2	knapsack	NA	NA
+FL4DABNS0002	5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone	C18H16O7	344.0896	187522-24-3	knapsack	NA	NA
+FL4DCANS0002	(2R,3R)-Aromadendrin 7-methyl ether 3-acetate	C18H16O7	344.0896	80158-89-0	knapsack	NA	NA
+FL4DCANS0003	(2R,3S)-5,4'-Dihydroxy-7-methoxy-3-O-acetylflavanone	C18H16O7	344.0896	140614-82-0	knapsack	NA	NA
+FL5F1GNS0004	4',5'-Dihydroxy-3,7,3'-trimethoxyflavone	C18H16O7	344.0896	-	knapsack	NA	NA
+FL5F1GNS0005	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone;3-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	223902-82-7	knapsack	NA	NA
+FL5FALNS0004	Morin 3,2',4'-trimethyl ether	C18H16O7	344.0896	135566-98-2	knapsack	NA	NA
+FL5FBFNS0001	3,7-Dihydroxy-5,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	3306-16-9	knapsack	NA	NA
+FL5FCFNS0001	Quercetin 7,3',4'-trimethyl ether;3,5-Dihydroxy-7,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	6068-80-0	knapsack	NA	NA
+FL5FDCNM0003	2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C18H16O7	344.0896	181884-07-1	knapsack	NA	NA
+FL5FDCNM0004	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one	C18H16O7	344.0896	181884-08-2	knapsack	NA	NA
+FL5FDDNM0001	6-C-Methylquercetin 3,3'-dimethyl ether	C18H16O7	344.0896	-	knapsack	NA	NA
+FL5FDDNS0002	Quercetin 3,5,3'-trimethyl ether	C18H16O7	344.0896	13459-09-1	knapsack	NA	NA
+FL5FDDNS0003	Pachypodol;5,4'-Dihydroxy-3,7,3'-trimethoxyflavone;Quercetin 3,3',7-trimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	33708-72-4	knapsack	NA	NA
+FL5FDENS0002	Ayanin;3,7,4'-Tri-O-methylquercetin;5,3'-Dihydroxy-3,7,4'-trimethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	572-32-7	knapsack	NA	NA
+FL5FDFNS0001	Quercetin 3,3',4'-trimethyl ether;5,7-Dihydroxy-3,3',4'-trimethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	14549-84-9	knapsack	NA	NA
+FL5FEANS0002	Santin	C18H16O7	344.0896	27782-63-4	knapsack	NA	NA
+FL5FEANS0014	6-Hydroxykaempferol 3,5,7-trimethyl ether	C18H16O7	344.0896	154662-03-0	knapsack	NA	NA
+FL5FEANS0015	Penduletin;5,4'-Dihydroxy-3,6,7-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	569-80-2	knapsack	NA	NA
+FL5FEANS0016	Candidol	C18H16O7	344.0896	35286-55-6	knapsack	NA	NA
+FL5FEANS0017	Mikanin;3,5-Dihydroxy-4',6,7-trimethoxyflavone;3,5-Dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O7	344.0896	4324-53-2	knapsack	NA	NA
+FL5FEANS0021	5,6-Dihydroxy-3,7,4'-trimethoxyflavone;6-Hydroxykaempferol 3,7,4'-trimethyl ether;Tanetin;5,6-Dihydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O7	344.0896	84019-17-0	knapsack	NA	NA
+FL5FF8NS0002	5,2'-Dihydroxy-3,7,8-trimethoxyflavone	C18H16O7	344.0896	51724-52-8	knapsack	NA	NA
+FL5FFANM0001	5,8,4'-Trihydroxy-3,7-dimethoxy-6-methylflavone	C18H16O7	344.0896	-	knapsack	NA	NA
+FL5FFANS0003	Tambulin	C18H16O7	344.0896	571-72-2	knapsack	NA	NA
+FL5FFANS0012	Herbacetin 3,7,8-trimethyl ether;5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C18H16O7	344.0896	6586-29-4	knapsack	NA	NA
+FL5FFANS0013	Herbacetin 3,7,4'-trimethyl ether	C18H16O7	344.0896	58902-16-2	knapsack	NA	NA
+FL5FFANS0014	Herbacetin 3,8,4'-trimethyl ether;5,7-Dihydroxy-3,8,4'-trimethoxyflavone;3,8,4'-Trimethylherbacetin;5,7-dDihydroxy-3,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C18H16O7	344.0896	1570-09-8	knapsack	NA	NA
+FL5FG9NS0002	5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one	C18H16O7	344.0896	85966-33-2	knapsack	NA	NA
+FL5FG9NS0003	Araneol;5,7-Dihydroxy-3,6,8-trimethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one	C18H16O7	344.0896	71479-92-0	knapsack	NA	NA
+FL5FG9NS0004	3,5-Dihydroxy-6,7,8-trimethoxyflavone;3,5-Dihydroxy-6,7,8-trimethoxy-2-phenyl-4H-1-benzopyran-4-one	C18H16O7	344.0896	14221-65-9	knapsack	NA	NA
+FLIAAKNS0001	Panchovillin;5,7-Dihydroxy-3',4',5'-trimethoxyisoflavone	C18H16O7	344.0896	89505-45-3	knapsack	NA	NA
+FLIAALNS0005	Derrugenin;5,4'-Dihydroxy-7,2',5'-trimethoxyisoflavone	C18H16O7	344.0896	73428-16-7	knapsack	NA	NA
+FLIAECNS0005	Junipegenin B;Dalspinosin;5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone	C18H16O7	344.0896	78134-85-7	knapsack	NA	NA
+FLIAF8NS0002	5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone	C18H16O7	344.0896	129724-34-1	knapsack	NA	NA
+FLIAFCNS0003	5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone	C18H16O7	344.0896	78182-91-9	knapsack	NA	NA
+FLID4CNS0001	2-Hydroxy-4-methoxypterocarpin;2-Hydroxy-3,4-dimethoxy-8,9-methylenedioxypterocarpan	C18H16O7	344.0896	131442-28-9	knapsack	NA	NA
+FLIDHXNS0012	Lathycarpin;6a-Hydroxy-2,3-dimethoxy-8,9-methylenedioxypterocarpan	C18H16O7	344.0896	83159-18-6	knapsack	NA	NA
+FLIDWXNS0010	Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene	C18H16O7	344.0896	55306-14-4	knapsack	NA	NA
+FLIFHXNM0001	Boeravinone C;4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone	C18H16O7	344.0896	117176-19-9	knapsack	NA	NA
+FLNAFCNS0001	8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin	C18H16O7	344.0896	126588-34-9	knapsack	NA	NA
+MJ040262	1,2,3,4,5-Pentahydroxyanthraquinone; 1,2,3,4-Tetra-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040263	1,2,3,4,6-Pentahydroxyanthraquinone; 1,3,4,6-Tetra-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040264	1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 1,2,3-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040265	1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 1,3,5-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040266	1,2,3,5,8-Pentahydroxy-7-methylanthraquinone; 1,2,3-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040267	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040268	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,3,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040269	1,3,5,6-Tetrahydroxy-2-hydroxymethylanthraquinone; 1'-Et ether, 6-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040270	1,3,5,7,8-Pentahydroxy-2-methylanthraquinone; 3,5,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040271	1,3,5,7,8-Pentahydroxy-2-methylanthraquinone; 5,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040272	2',3',5,6,7-Pentahydroxyisoflavone; 2',5,6-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040273	2',3',5,6,7-Pentahydroxyisoflavone; 2',5,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040274	2',3',5,6,7-Pentahydroxyisoflavone; 2',6,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040275	2',3',5,7,8-Pentahydroxyflavone; 2',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040276	2',3',5,7,8-Pentahydroxyisoflavone; 2',5,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040277	2',3',5,7,8-Pentahydroxyisoflavone; 2',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040278	2',3,3',4,4',6'-Hexahydroxychalcone; 3,4-Methylene, 2',4'-di-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040279	2',3,4',5,7-Pentahydroxyflavone; 2',3,4'-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040280	2',3,4',5,7-Pentahydroxyflavone; 2',4,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040281	2',3,4',7,8-Pentahydroxyflavone; 2',3,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040282	2',3,5,7,8-Pentahydroxyflavone; 3,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040283	2',4',5,5',7-Pentahydroxyflavone; 4',5',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040284	2',4',5,5',7-Pentahydroxyisoflavone; 2',4',5'-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040285	2',4',5,5',7-Pentahydroxyisoflavone; 2',5',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040286	2',4',5,5',8-Pentahydroxyflavone; 2',4',8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040287	2',4',5,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040288	2',5,6',7,8-Pentahydroxyflavone; 2',6',8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040289	2',5,6',7,8-Pentahydroxyflavone; 2',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040290	2',5,6,7,8-Pentahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040291	2,3,4,8,9-Pentahydroxypterocarpan, 3,4-Di-Me, 8,9-methylene ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040292	2,3,6a,8,9-Pentahydroxypterocarpan; 2,3-Di-Me, 8,9-methylene ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040293	3',4',5',6,7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040294	3',4',5',7,8-Pentahydroxyflavone; 4',5',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040295	3',4',5,5',7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040296	3',4',5,5',7-Pentahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040297	3',4',5,5',7-Pentahydroxyflavone; 3',5',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040298	3',4',5,5',7-Pentahydroxyisoflavone; 3',4',5'-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040299	3',4',5,5',7-Pentahydroxyisoflavone; 3',4',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040300	3',4',5,6,7-Pentahydroxyflavanone, 3',4'-Methylene, 5,7-di-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040301	3',4',5,6,7-Pentahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040302	3',4',5,6,7-Pentahydroxyflavone; 3',6,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040303	3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040304	3',4',5,7,8-Pentahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040305	3',4',5,7,8-Pentahydroxyflavone; 3',4',8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040306	3',4',5,7,8-Pentahydroxyflavone; 3',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040307	3',4',5,7,8-Pentahydroxyisoflavone; 3',4',8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040308	3',4',6,7,8-Pentahydroxyisoflavone; 4',6,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040309	3',4,4',5,6-Pentahydroxyaurone; 4,5,6-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040310	3',5-Dihydroxy-3,4',7-trimethoxyflavone 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040311	3',5-Dihydroxy-4',6,7-trimethoxyflavone 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040312	3,3',4',5',7-Pentahydroxyflavone; 3',5',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040313	3,3',4',5',7-Pentahydroxyflavone; 3,3',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040314	3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040315	3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,3'-Di-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040316	3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,7-Di-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040317	3,3',4',5,7-Pentahydroxyflavone; 3,3',4'-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040318	3,3',4',5,8-Pentahydroxyflavone; 3',4',8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040319	3,3',4',7-Tetrahydroxyflavanone, 7-Me ether, 3-Ac 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040320	3,4',5,6,7-Pentahydroxyflavone; 3,5,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040321	3,4',5,6,7-Pentahydroxyflavone; 3,6,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040322	3,4',5,6,7-Pentahydroxyflavone; 4',6,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040323	3,4',5,6,7-Pentahydroxyflavone; 5,6,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040324	3,4',5,6,8-Pentahydroxyflavone; 3,6,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040325	3,4',5,7,8-Pentahydroxyflavone; 3,4',7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040326	3,4',5,7,8-Pentahydroxyflavone; 3,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040327	3,4',5,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040328	3,4',5,7-Tetrahydroxyflavanone, 4'-Me ether, 3-Ac 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040329	3,4',5,7-Tetrahydroxyflavanone, 7-Me ether, 3-Ac 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040330	3,4,8,9,10-Pentahydroxypterocarpene; 3,8,9-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040331	3,5,6,7,8-Pentahydroxyflavone; 3,6,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040332	3,5,6,7,8-Pentahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040333	3,5-Dihydroxy-3',4',7-trimethoxyflavone 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040334	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, [3-(3,4-Dihydroxyphenyl)-2-oxopropyl] ester 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040335	4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040336	4',5,6,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040337	4',5,6,7,8-Pentahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040338	4',5,6,7,8-Pentahydroxyisoflavone; 4',6,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040339	4,4a-Dihydro-4,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-4a-carboxylic acid; 4-Ac, Me ester 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040340	4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 4',5,7-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040341	4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 5,7,8-Tri-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040342	5,7-Dihydroxy-3',4',6-trimethoxyflavone 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040343	5,7-Dihydroxy-3,4',6-trimethoxyflavone 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040344	5,7-Dihydroxy-3,4',8-trimethoxyflavone 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040345	Aflatoxin B1, 15,16-Dihydro, 16-methoxy 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040346	Amarbelin 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040347	Antibiotic FR 901235 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040348	Antibiotic UCF 76B 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040349	Arizonin C1 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040350	Boeravinone C 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040351	Breverin 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040352	Erdin, Bis(dechloro), Me ether, Me ester 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040353	Gliricidol; 2-Methoxy 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040354	Hypoprotocetraric acid 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040355	Irispurinol; 9-Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040356	Isousnic acid 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040357	Nidulalin A; 5-Ac 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040358	Norisonotatic acid; Me ether 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040359	Notatic acid 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040360	Pannaric acid; 9-Me ether, 2-Me ester 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040361	Psorospermindiol; O-De-Me 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040362	Sclerodin; 8-Hydroxy 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MJ040363	Usnic acid 	C18H16O7	344.089602	NA	MeJP	NA	NA
+MetaCyc03051	(S)-usnate [usnic acid;usniacin;usnein;usno;usninsaeure;]	C18H16O7	344.089603	NA	metacyc	NA	NA
+MetaCyc03052	caffeoyl-4'-hydroxyphenyllactate [caffeoyl-4'-hydroxyphenyllactic acid;]	C18H16O7	344.089603	NA	metacyc	NA	NA
+MetaCyc03053	4-coumaroyl-3',4'-dihydroxyphenyllactate [4-coumaroyl-3',4'-dihydroxyphenyllactic acid;]	C18H16O7	344.089603	NA	metacyc	NA	NA
+MetaCyc03054	35-dihydroxy-347-trimethoxyflavone []	C18H16O7	344.089603	NA	metacyc	NA	NA
+MJ040364	Arfendazam 	C18H17ClN2O3	344.09277	NA	MeJP	NA	NA
+MJ040365	Photolumazine B 	C12H16N4O8	344.096813	NA	MeJP	NA	NA
+MJ040366	Griseolutein B 	C17H16N2O6	344.100836	NA	MeJP	NA	NA
+C11206	p-Methylaminophenol sulfate	C19H17N9O5S2	344.1042	NA	KEGG	NA	NA
+MJ040367	Carpetimycin A; 1',2'-Dihydro 	C14H20N2O6S	344.104207	NA	MeJP	NA	NA
+FL3F29ND0001	Sanaganone;10,10-Dimethyl-5-phenyl-furo[2',3':5,6]benzo[1,2-b:4,3-b']dipyran-7(10H)-one	C22H16O4	344.10485	169790-22-1	knapsack	NA	NA
+MJ040368	Sanaganone 	C22H16O4	344.104859	NA	MeJP	NA	NA
+C06922	Clotrimazole	C22H17ClN2	344.108	NA	KEGG	NA	NA
+C13784	TRAM-34	C22H17ClN2	344.108	NA	KEGG	NA	NA
+MJ040369	Clotrimazole 	C22H17ClN2	344.108026	NA	MeJP	NA	NA
+MJ040370	Lombazole 	C22H17ClN2	344.108026	NA	MeJP	NA	NA
+HMDB01922	Clotrimazole	C22H17ClN2	344.10803	http://www.hmdb.ca/metabolites/HMDB01922	HMDB	NA	NA
+HMDB01922	Clotrimazole	C22H17ClN2	344.10803	HMDB01922	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01922	Clotrimazole	C22H17ClN2	344.108032	NA	HMDB2010	NA	NA
+MJ040371	2',4',6'-Trihydroxyacetophenone; 2'-Me ether, 4'-O-?-D-glucopyranoside 	C15H20O9	344.110732	NA	MeJP	NA	NA
+MJ040372	2',4',6'-Trihydroxyacetophenone; 2'-Me ether, 6'-O-?-D-glucopyranoside 	C15H20O9	344.110732	NA	MeJP	NA	NA
+MJ040373	2',4',6'-Trihydroxyacetophenone; 4'-Me ether, O-?-D-glucopyranoside 	C15H20O9	344.110732	NA	MeJP	NA	NA
+MJ040374	3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-(2-O-methyl-?-D-glucopyranoside) 	C15H20O9	344.110732	NA	MeJP	NA	NA
+MJ040375	Isoaucubigenin; 10-Aldehyde, 1-O-?-D-glucopyranoside 	C15H20O9	344.110732	NA	MeJP	NA	NA
+MJ040376	Teuhircoside 	C15H20O9	344.110732	NA	MeJP	NA	NA
+MJ040377	Clorotepine 	C19H21ClN2S	344.111397	NA	MeJP	NA	NA
+MJ040378	Nifurquinazol 	C16H16N4O5	344.112069	NA	MeJP	NA	NA
+HMDB01513	Dolichyl diphosphate	C12H26O7P2	344.115387	NA	HMDB2010	NA	NA
+HMDB01513	Dolichyl diphosphate	C12H26O7P2	344.11539	http://www.hmdb.ca/metabolites/HMDB01513	HMDB	NA	NA
+HMDB01513	Dolichyl diphosphate	C12H26O7P2	344.11539	HMDB01513	PFEM_hmdb_metabocards_official	NA	NA
+MJ040379	Gambirtannine; 21-Oxo 	C21H16N2O3	344.116092	NA	MeJP	NA	NA
+MJ040380	Neooxygambirtannine 	C21H16N2O3	344.116092	NA	MeJP	NA	NA
+CJneg0545	N2-methylguanosine [(M-H)+(HCOOH)]- (13C)	C1113CH16N5O7	344.116725	C18rt(min)=4.52 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0545	N2-methylguanosine [(M-H)+(HCOOH)]- (13C)	C1113CH16N5O7	344.116725	C18rt(min)=4.52 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ040381	Streptidine 6-phosphate 	C8H21N6O7P	344.120933	NA	MeJP	NA	NA
+FL1C3CNS0003	Okanin 3,4,3',4'-tetramethyl ether	C19H20O6	344.12598	94285-19-5	knapsack	NA	NA
+FL1CA8NS0003	2'-Hydroxy-2,3,4',6'-tetramethoxychalcone	C19H20O6	344.12598	76554-75-1	knapsack	NA	NA
+FL1CALNS0002	Cerasidin	C19H20O6	344.12598	64200-22-2	knapsack	NA	NA
+FL1CDFNS0001	2'-Hydroxy-3,4,4',6'-tetramethoxychalcone	C19H20O6	344.12598	10496-67-0	knapsack	NA	NA
+FL1CEANS0003	6'-Hydroxy-4,2',3',4'-tetramethoxychalcone	C19H20O6	344.12598	41929-26-4	knapsack	NA	NA
+FL1CG9NS0003	3'-Hydroxy-2',4',5',6'-tetramethoxychalcone	C19H20O6	344.12598	80405-08-9	knapsack	NA	NA
+FL1CG9NS0004	Kanakugiol	C19H20O6	344.12598	57499-44-2	knapsack	NA	NA
+FL1DDCNS0001	2',4',6'-Trimethoxy-3,4-methylenedioxydihydrochalcone	C19H20O6	344.12598	622851-66-5	knapsack	NA	NA
+FL1DHYNS0002	Dihydroisomilletenone methyl ether	C19H20O6	344.12598	96400-41-8	knapsack	NA	NA
+FL1DHYNS0003	Dihydromilletenone methyl ether	C19H20O6	344.12598	96400-40-7	knapsack	NA	NA
+FL2FA8NS0011	5,7,2',5'-Tetramethoxyflavanone	C19H20O6	344.12598	85486-95-9	knapsack	NA	NA
+FL2FALNS0002	Arjunone	C19H20O6	344.12598	56317-22-7	knapsack	NA	NA
+FL2FCFNM0001	5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone	C19H20O6	344.12598	151649-33-1	knapsack	NA	NA
+FL2FDENM0001	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone	C19H20O6	344.12598	86890-96-2	knapsack	NA	NA
+FL2FEANS0003	5,6,7,4'-Tetramethoxyflavanone	C19H20O6	344.12598	72943-90-9	knapsack	NA	NA
+FL2FG9NS0004	Kanakugin	C19H20O6	344.12598	57499-45-3	knapsack	NA	NA
+FL6FALNM0001	5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan	C19H20O6	344.12598	75679-61-7	knapsack	NA	NA
+MJ040382	1,2,3,5,6,7-Hexahydroxyphenanthrene; 1,2,3,5,7-Penta-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040383	15,16-Epoxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide, 2?-Hydroxy 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040384	15,16-Epoxy-6-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,2-diolide, 6-Ketone 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040385	2',3',4',5',6'-Pentahydroxychalcone; 2',3',4',5'-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040386	2',3',4',5',6'-Pentahydroxychalcone; 2',3',4',6'-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040387	2',3',4,4',6'-Pentahydroxychalcone; 2',3',4,4'-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040388	2',3,3',4,4'-Pentahydroxychalcone, 3,3',4,4'-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040389	2',3,4,4',6'-Pentahydroxychalcone; 2',3,4,4'-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040390	2',4',5,5',7-Pentahydroxy-6,8-dimethylflavan; 7-Me, 4',5'-methylene ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040391	2',4',5,7-Tetrahydroxyflavanone, Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040392	2,2',4,4',6'-Pentahydroxychalcone; 2,2',4,4'-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040393	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040394	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 3-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040395	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040396	2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040397	2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 2'-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040398	3',4',5,7-Tetrahydroxy-6-methylflavanone, 3',4',7-Tri-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040399	3',4',5,7-Tetrahydroxy-8-methylflavanone, 4',5,7-Tri-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040400	3',4',7,8-Tetrahydroxyflavanone, Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040401	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040402	3,3',4',7-Tetrahydroxyflavanone, 3,3',4',7-Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040403	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Ketone, 8-O-(2-hydroxymethylpropenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040404	3-(3,4-Dihydroxybenzyl)-5,7-dihydroxyphthalide; Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040405	3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040406	4',5,6,7-Tetrahydroxyflavanone, Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040407	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3'-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040408	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 5-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040409	5,6,7,8-Tetrahydroxyflavanone, Tetra-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040410	5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 4',5,7-Tri-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040411	5,6,7-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone, 5,6,7-Tri-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040412	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 4',5,7-Tri-Me ether 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040413	5,8-Dihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8,9-Didehydro(E), 8-(2-methylpropenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040414	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Propanoyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040415	8,9-Dihydroxy-1(10),2,4(15),11(13)-guaiatetraen-12,6-olide, Di-Ac 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040416	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 2-Methyl-2-propenoyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040417	Antibiotic SF 2315B 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040418	Asadanin 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040419	Aviprin, 2',3'-O-Isopropylidene 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040420	Coleon B 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040421	Decursidinol, 3'-O-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040422	Decursidinol, 3'-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040423	Decursidinol, 4'-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040424	Decursidinol, 4'-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040425	Dihydrooroselol, 9-Hydroxy, 3'-O-(2-methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040426	Dihydrooroselol, O-(2R,3R-Epoxy-2-methylbutanoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040427	Diosbulbin B 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040428	Echinone 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040429	Elmycin A 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040430	Excavatin D, 2'?,3'?-Epoxide, 6',7'-dihydro 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040431	Excavatin D, 4'?-Hydroxy, 6',7'?-dihydro 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040432	Excavatin D, 7'?-Hydroxy, 6',7'-dihydro 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040433	Excavatin D, 7'R-Hydroxy, 6',7'-dihydro 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040434	Greveichromenol; 9-O-(2-Methylpropanoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040435	Heraclenol, O-Isopropylidene 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040436	Hermandiol; 4'-O-(2-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040437	Khellactone, 9-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040438	Khellactone, 10-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040439	Khellactone, 10-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040440	Khellactone, 10-Tigloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040441	Khellactone, 9-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040442	Khellactone, 9-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040443	Khellactone, 9-Tigloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040444	Khellactone, 9-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040445	Khellactone, 10-Tigloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040446	Khellactone, 9-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040447	Khellactone, 10-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040448	Khellactone, 10-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040449	Khellactone, 9-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040450	Marshalliachromone; 5'-O-(2-Methylpropanoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040451	Milletenone; O1-Me, 2,3-dihydro 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040452	Milletenone; O3-Me, 2,3-dihydro 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040453	Monankarin E 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040454	Obovatinal 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040455	Pinoresinol, 7'-Epimer, O3-de-Me 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040456	Protobruceol I; ?2'-Isomer (E)-, 4'-hydroperoxy 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040457	Protobruceol I; ?4'-Isomer, 3'-hydroperoxy 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040458	Teucrin A 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040459	Teucrin H1 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040460	Teucrin H4 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040461	Vaginidiol; 1''-O-(3-Methyl-2-butenoyl) 	C19H20O6	344.125988	NA	MeJP	NA	NA
+MJ040462	Vaginidiol; 3'-Angeloyl 	C19H20O6	344.125988	NA	MeJP	NA	NA
+C09353	Calaxin	C19H20O6	344.126	NA	KEGG	NA	NA
+C09388	Deoxyelephantopin	C19H20O6	344.126	NA	KEGG	NA	NA
+C10338	Echinone	C19H20O6	344.126	NA	KEGG	NA	NA
+C15118	2,3-Dihydro-2-(4-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-	C19H20O6	344.126	NA	KEGG	NA	NA
+MJ040463	1-O-D-Glucopyranosyl-D-mannitol 	C12H24O11	344.131861	NA	MeJP	NA	NA
+MJ040464	3-O-?-D-Galactofuranosyl-D-mannitol 	C12H24O11	344.131861	NA	MeJP	NA	NA
+MJ040465	3-O-?-D-Glucopyranosyl-D-mannitol 	C12H24O11	344.131861	NA	MeJP	NA	NA
+MJ040466	4-O-?-D-Glucopyranosyl-D-glucitol 	C12H24O11	344.131861	NA	MeJP	NA	NA
+MJ040467	Clusianose 	C12H24O11	344.131861	NA	MeJP	NA	NA
+MJ040468	Lactitol 	C12H24O11	344.131861	NA	MeJP	NA	NA
+MetaCyc03055	1-O-&beta;-D-glucopyranosyl-D-mannitol [GPM;isomalt;]	C12H24O11	344.131862	NA	metacyc	NA	NA
+MetaCyc03056	lactitol [lactitolum;4-O-&beta;-D-galactopyranosyl-D-glucitol;]	C12H24O11	344.131862	585-86-4	metacyc	NA	NA
+HMDB02928	Maltitol	C12H24O11	344.131866	NA	HMDB2010	NA	NA
+HMDB06791	Melibiitol	C12H24O11	344.131866	NA	HMDB2010	NA	NA
+HMDB02928	Maltitol	C12H24O11	344.13187	http://www.hmdb.ca/metabolites/HMDB02928	HMDB	NA	NA
+HMDB06791	Melibiitol	C12H24O11	344.13187	http://www.hmdb.ca/metabolites/HMDB06791	HMDB	NA	NA
+HMDB02928	Maltitol	C12H24O11	344.13187	HMDB02928	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06791	Melibiitol	C12H24O11	344.13187	HMDB06791	PFEM_hmdb_metabocards_official	NA	NA
+C05399	Melibiitol	C12H24O11	344.1319	NA	KEGG	NA	NA
+C08254	Clusianose	C12H24O11	344.1319	NA	KEGG	NA	NA
+PJ000407	PND 	C13H20N4O7	344.1332	NA	PeJP	NA	NA
+PJ000408	YY 	C18H20N2O5	344.1372	NA	PeJP	NA	NA
+MJ040469	Methiomeprazine 	C19H24N2S2	344.13809	NA	MeJP	NA	NA
+C11652	8-Epiiridotrial glucoside	C16H24O8	344.1471	NA	KEGG	NA	NA
+C11653	Iridotrial glucoside	C16H24O8	344.1471	NA	KEGG	NA	NA
+MJ040470	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040471	1,8-Dihydroxy-2-pinen-4-one, 1-O-?-D-Glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040472	1,8-Dihydroxy-2-pinen-4-one, 8-O-?-D-Glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040473	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 1-O-?-D-glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040474	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 2-O-?-D-glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040475	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 1-O-?-D-glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040476	1-(4-Hydroxyphenyl)-1,2-propanediol, 4'-Me ether, 2-O-?-D-glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040477	2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid, 8-aldehyde, ?-D-glucopyranosyl ester 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040478	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-?-D-glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040479	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 4'-O-?-D-glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040480	4-(3,4-Dihydroxyphenyl)-2-butanol, 1-O-?-D-Glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040481	6-(1-Methylpropyl)-1,2,4-benzenetriol, 1-O-?-D-Glucopyranoside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040482	Boschnaloside 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040483	Illicinolide A 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MJ040484	Nepetaracemoside A 	C16H24O8	344.147117	NA	MeJP	NA	NA
+MetaCyc03057	dihydroconiferyl alcohol glucoside [dihydroconiferyl alcohol-4-O-&beta;-D-glucopyranoside;]	C16H24O8	344.147118	NA	metacyc	NA	NA
+MJ040485	Piketoprofen 	C22H20N2O2	344.152477	NA	MeJP	NA	NA
+MJ040486	Trengestone 	C21H25ClO2	344.154307	NA	MeJP	NA	NA
+MJ040487	Palythine; 3-N-(1-Carboxy-2-methylpropyl) 	C15H24N2O7	344.158351	NA	MeJP	NA	NA
+MJ040488	1,10-Epoxy-8-hydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040489	1,12-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid, 1-Ketone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040490	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 1,4-Quinone, 8-angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040491	1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040492	1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040493	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 1-Ketone, 8-angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040494	10-(3,4-Dihydroxyphenyl)-3,5,7-decatrien-1-ol, 1,3'-Di-Ac 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040495	10-(3,4-Dihydroxyphenyl)-3,5,7-decatrien-1-ol, 1,4'-Di-Ac 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040496	11,12-Dihydroxy-6-oxo-8,11,13-abietatrien-20,7-olide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040497	11-Hydroxy-1-oxo-2,4-eudesmadien-12,6-olide; Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040498	11-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, O-(3-Methyl-2-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040499	11-Hydroxy-2-oxo-3,9-pseudoguaiadien-12,6-olide, Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040500	11-Hydroxy-3,7,12(20),15(17)-cembratetraene-16,2:19,6-diolide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040501	11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide, 3-Methyl-2-butenoyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040502	11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide, Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040503	11-Hydroxy-3-oxo-1,4-eudesmadien-12,6-olide, Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040504	11-Oxo-3,7,12(20),15(17)-cembratetraen-16,2-olid-19-oic acid 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040505	12,16-Epoxy-6,11,14-trihydroxy-5,8,11,13-abietatetraen-7-one 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040506	12,17-Epoxy-17-hydroxystrictic acid 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040507	14(5?6)-Abeo-5,9-furanoeremophiladiene-9,14-diol, 9-Propanoyl, 14-Ac 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040508	15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040509	15,16-Epoxy-4-hydroxy-7-oxo-2,13(16),14-clerodatrien-18,19-olide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040510	15,16-Epoxy-7-oxo-3,13(16),14-clerodatrien-18,19-olide; ent-form, 2?-Hydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040511	17-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide, 17-Aldehyde 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040512	19(4?3)-Abeo-11,12,14-trihydroxy-3,8,11,13-abietatetraene-2,7-dione 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040513	2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,6-olide, Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040514	2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, 3-hydroxy-5-propylphenyl ester 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040515	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040516	2-(4-Allyl-2-hydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; 2',3-Di-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040517	2-Hydroxy-3,13-clerodadiene-16,15:17,19-diolide, 2-Ketone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040518	3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3,3'-di-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040519	3,3',4,4',7-Pentahydroxylignan, 3,4-Methylene, 3'-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040520	3,3',4,4',7-Pentahydroxylignan, 3',4'-Methylene, 3-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040521	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040522	3,4-Epoxy-8-hydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040523	3,4-Epoxy-8-hydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040524	3,4:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadien-20,12-olide, 1,10-Didehydro 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040525	3,4:15,16-Diepoxy-6-oxo-13(16),14-clerodadien-20,12-olide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040526	3,4:15,16-Diepoxy-7-oxo-13(16),14-clerodadien-20,12-olide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040527	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040528	3,6-Dioxo-4,7,11,15-cembratetraen-20,10-olide, 4R,5S-Epoxide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040529	3,7,11,15(17)-Cembratetraene-16,2:19,6-diolide, 11,12-Epoxide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040530	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-Ketone, 8-angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040531	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040532	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040533	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040534	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-O-(2-decene-4,6-diynoyl)(E-) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040535	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-diangeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040536	3-(4-Hydroxyphenyl)-2-propen-1-ol, 4'-Me ether, 1-O-[2-(angeloyloxymethyl)-2Z-butenoyl] 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040537	3-Hydroxyfuranoeremophilan-15,6-olide, O-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040538	4,4'-Dihydroxy-3,3'-dimethoxy-7,7'-epoxylignan 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040539	4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040540	4,7-Epoxy-1,5-dihydro-8-hydroxy-11(13)-bourbonen-12,6-olide, 8-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040541	4,8-Dihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040542	4,8:12,20:15,16:19,20-Tetraepoxy-13(16),14-clerodadien-6-ol, 6-Ketone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040543	4-(4,7-Epoxy-6-hydroxy-6,7-dihydrogeranyloxy)-5-methylcoumarin 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040544	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 4',10'-Dihydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040545	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 5',10'-Dihydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040546	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 6',10'-dihydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040547	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Bis-O-(3-Methyl-2-butenyl), 5-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040548	5,7-Dihydroxy-2H-1-benzopyran-2-one; 5-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl), 7-O-Me 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040549	5,7-Dihydroxy-8-prenylcoumarin; 5-Me ether, 7-O-(3-methyl-2-butenyl), 2',3'-epoxide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040550	5,7-Dihydroxy-8-prenylcoumarin; 7-Me ether, 5-O-(3-methyl-2-butenyl), 2',3'-epoxide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040551	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl), 6-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040552	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040553	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040554	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(3-methyl-2-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040555	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040556	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(2,3-Epoxy-3-methylbutanoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040557	7,12-Epoxy-3,13-clerodadiene-15,16:18,6-diolide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040558	7,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,6-olide, 3?,4?-Epoxide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040559	7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one, 15-Ketone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040560	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(5-Hydroxy-3,7-dimethyl-2,6-octadienyl), 8-Me ether 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040561	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6,7-Epoxy-3,7-dimethyl-2-octenyl)(2E,6?-), O8-Me 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040562	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)(2E,6S-), O8-Me 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040563	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-), O8-Me 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040564	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(6,7-Epoxy-3-methylene-7-methyloctyl), O7-Me 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040565	7-Hydroxy-3,12,14-clerodatriene-16,15:18,6-diolide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040566	7-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide, 7-Ketone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040567	8,12-Epoxy-3,13-clerodadiene-15,16:18,19-diolide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040568	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040569	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-(2-Hydroxymethyl-2Z-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040570	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040571	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040572	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040573	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040574	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040575	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(3-methyl-2-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040576	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040577	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, O-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040578	9,10-Dihydroxy-1,3,11(13)-guaiatrien-12,6-olide, 9-Tigloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040579	9-Hydroxyfuranoeremophilan-15,6-olide, Angeloyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040580	9-Hydroxylasiolaenolide; 9-Aldehyde 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040581	Antibiotic 55B; 7-Deoxo 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040582	Antibiotic X 14881B; 5,6-Dihydro 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040583	Betolide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040584	Caniojane 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040585	Cernuanone; (E)-4-Methyl-2-pentenoyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040586	Clutiolide; 2,3-Dihydro 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040587	Columbaridione 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040588	Coralloidolide C 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040589	Coralloidolide E 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040590	Coralloidolide F 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040591	Crotofolin A 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040592	Deacetylshikonofuran A; 11-O-(2-Methylpropanoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040593	Eriocalyxin A 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040594	Eriostemoic acid 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040595	Eriostoic acid 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040596	Gibberellin A9; 9,11-Didehydro, 12?-hydroxy, Me ester 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040597	Haplomitrenolide A; 9?-Hydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040598	Hebeclinolide; 6àH-form, 2?-Hydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040599	Hebeclinolide; 6àH-form, 6-Hydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040600	Isochiliolide lactone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040601	Isomurralonginol; O-(3-Methylbutanoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040602	Laxiflorin A; 15-Ketone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040603	Lomatin, O-Hexanoyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040604	Longirabdacetal; 19-Ketone (lactone) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040605	Macrocalyxoformin B 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040606	Morinin A; 4'-Angeloyloxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040607	Morinin A; 5'-(3-Methyl-2-butenoyloxy) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040608	Morinin A; 5'-Angeloyloxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040609	Murralonginol; 3-Methylbutanoyl 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040610	Murrangatin, 2'-Deoxy, 1'-O-(3-methylbutanoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040611	Myrocin B; 9-Deoxo 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040612	Nutanocoumarin 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040613	Piloselloidol; 9-O-(3-Methylbutanoyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040614	Pinnatin C 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040615	Pinnatin E 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040616	Ptilostol; O-(3-Methyl-2-butenyl) 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040617	Rosmadial 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040618	Rosmanol; 11,12-Quinone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040619	Safficinolide 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040620	Secochiliolide lactone 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040621	Sesibiricol 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040622	Terbufibrol 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040623	Teuvincenone A; 3-Deoxo 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040624	Teuvincenone G 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040625	Virolin; O4-De-Me 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040626	Welwitschic acid; 17-Oxo, 1,2-dihydro 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040627	Welwitschic acid; 17?-Hydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+MJ040628	Welwitschic acid; 17?-Hydroxy 	C20H24O5	344.162373	NA	MeJP	NA	NA
+3470	analogue of human b-CN (54-59)	AEPIPY	344.165	MH2+	Inhouse_peptide	NA	peptide
+MJ040629	Spiclamine 	C20H25ClN2O	344.165541	NA	MeJP	NA	NA
+MJ040630	Rhodotorulic acid 	C14H24N4O6	344.169584	NA	MeJP	NA	NA
+PJ000409	PTQ 	C14H24N4O6	344.1696	NA	PeJP	NA	NA
+MJ040631	Flualamide 	C17H23F3N2O2	344.171162	NA	MeJP	NA	NA
+C07805	Formoterol	C19H24N2O4	344.1736	NA	KEGG	NA	NA
+C07806	Transferred to D00685	C19H24N2O4	344.1736	NA	KEGG	NA	NA
+MJ040632	Formoterol 	C19H24N2O4	344.173607	NA	MeJP	NA	NA
+MJ040633	Gelsedine; 14R-Hydroxy 	C19H24N2O4	344.173607	NA	MeJP	NA	NA
+MJ040634	Pipratecol 	C19H24N2O4	344.173607	NA	MeJP	NA	NA
+MJ040635	Stephadiamine 	C19H24N2O4	344.173607	NA	MeJP	NA	NA
+MJ040636	Tolamolol 	C19H24N2O4	344.173607	NA	MeJP	NA	NA
+C15066	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene	C24H24O2	344.1776	NA	KEGG	NA	NA
+MJ040637	8-Hydroxy-9,10-dinor-4-megastigmen-3-one; O-?-D-Glucopyranoside 	C17H28O7	344.183503	NA	MeJP	NA	NA
+7568	ACE inhibitor	KVREGT	344.1865	MH2+	Inhouse_peptide	NA	peptide
+MJ040638	3-(1,3,4,5,12,12a-Hexahydro-2-methylpyrido[3,4-b]acridin-4a(2H)-yl)phenol 	C23H24N2O	344.188863	NA	MeJP	NA	NA
+3760	NA	KPT	344.193	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ040639	1,10-Epoxyfuranoeremophilan-3-ol, 3-(3-Methyl-2-pentenoyl) 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040640	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 14-Deoxy, 11-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040641	11,14,16-Trihydroxy-7,9(11),13-abietatriene-6,12-dione, 16-Deoxy, O14-Me 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040642	11,17-Dihydroxypregna-1,4-diene-3,20-dione 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040643	12,20-Epoxy-3-hydroxy-14,17-pregn-5-ene-11,15-dione 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040644	15,16-Epoxy-2-oxo-3,13(16),14-clerodatrien-20-oic acid; ent-form, Me ester 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040645	15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid; Me ester 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040646	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 12-Oxo, Me ester 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040647	16,20-Dihydroxy-3-oxopregn-4-en-18-oic acid 18,20-lactone 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040648	18(4?3)-Abeo-11,14-dihydroxy-3,8,11,13-abietatetraen-18-oic acid; 14-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040649	19(4?3)-Abeo-11,12,14-trihydroxy-4(18),8,11,13-abietatetraen-7-one; 12-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040650	2,3,12-Trihydroxypregna-4,7,16-trien-20-one 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040651	2,3,4-Trihydroxypregna-5,17-dien-19-oic acid, 19?2 Lactone 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040652	2,3,4-Trihydroxypregna-5,20-dien-19-oic acid, 19?2 Lactone 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040653	20(10?9)-Abeo-13-hydroxy-15-oxo-16-kauren-19,10-olide, Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040654	20,21-Dihydroxypregna-4,6-diene-3,12-dione 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040655	21-Hydroxypregn-4-ene-3,11,20-trione 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040656	3,11,12-Trihydroxy-8,11,13-abietatrien-7-one, 3-Ketone, 12-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040657	3,3',4,4'-Tetrahydroxylignan, 3,3',4-Tri-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040658	3,3',4,4'-Tetrahydroxylignan, 3,4,4'-Tri-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040659	3,6-Dioxopregnan-18,20-olide 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040660	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, O-(3,7-Dimethyl-2,6-octadienyl), Me ester 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040661	5,12-Dihydroxy-8,12,15-abietatriene-11,14-dione; 5?-form, 5-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040662	5,6-Epoxy-4-hydroxypregn-2-ene-1,20-dione 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040663	5-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 1'-Oxo 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040664	5-Hydroxy-14(17)-vouacapen-19-oic acid; 5?-form, Me ester 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040665	6-Hydroxyfuranoeremophil-1(10)-en-9-one, O-(3-Methylpentanoyl) 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040666	6-Hydroxyfuranoeremophilan-9-one, 3-Methyl-2-pentenoyl 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040667	6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-9-carboxylic acid 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040668	7,12-Dihydroxy-5,8,12-abietatriene-11,14-dione; 7?-form, 12-Me ether 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040669	9-Hydroxy-2,3-seco-4,7,10(14)-oplopatrien-3,2-olide, 9-(3-Methyl-2E-pentenoyl) 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040670	Anhydrohirundigenin 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040671	Aspergillodiol; 21-Aldehyde 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040672	Atratogenin A 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040673	Avarol; 2',5'-Quinone, 3',6'-dihydroxy 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040674	Boviquinone 3 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040675	Capucinoic acid A 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040676	Dendryphiellin A; 8'-Deoxy 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040677	Formebolone 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040678	Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-pentenoyl) 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040679	Ganomycin A; 12-Deoxy 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040680	Holadysone 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040681	Hyatellaquinone; O-De-Me 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040682	Hyperguinone B 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040683	Hypoestene 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040684	Ialibinone A 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040685	Ilimaquinone; O-De-Me 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040686	Ircinin 3 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040687	Membranolide 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040688	Puupehenol; 9?,15-Dihydro, 15-oxo 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040689	Sinapaldehyde, O-(3,7-Dimethyl-2,6-octadienyl) 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040690	Taiwaniaquinol A 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040691	Triandrin B 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040692	Turriculoic acid B 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040693	Untenospongin A 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040694	Vasinfectin A 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040695	onilide 	C21H28O4	344.198759	NA	MeJP	NA	NA
+MJ040696	11-Dehydrocorticosterone 	C21H28O4	344.198759	NA	MeJP	NA	NA
+HMDB04029	11-Dehydrocorticosterone	C21H28O4	344.19876	http://www.hmdb.ca/metabolites/HMDB04029	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04029	11-Dehydrocorticosterone	C21H28O4	344.19876	http://www.hmdb.ca/metabolites/HMDB04029	HMDB	NA	NA
+HMDB04631	Formebolone	C21H28O4	344.19876	http://www.hmdb.ca/metabolites/HMDB04631	HMDB	NA	NA
+HMDB04029	11-Dehydrocorticosterone	C21H28O4	344.19876	http://www.hmdb.ca/metabolites/HMDB04029	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04029	11-Dehydrocorticosterone	C21H28O4	344.19876	HMDB04029	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04631	Formebolone	C21H28O4	344.19876	HMDB04631	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04029	11-Dehydrocorticosterone	C21H28O4	344.198761	NA	HMDB2010	NA	NA
+HMDB04631	Formebolone	C21H28O4	344.198761	NA	HMDB2010	NA	NA
+C05490	11-Dehydrocorticosterone	C21H28O4	344.1988	NA	KEGG	NA	NA
+C14478	21-Deoxycortisone	C21H28O4	344.1988	NA	KEGG	NA	NA
+C15135	3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate	C21H28O4	344.1988	NA	KEGG	NA	NA
+C15208	Bisphenol A bis(2-hydroxypropyl) ether	C21H28O4	344.1988	NA	KEGG	NA	NA
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR382	Cortisol F2	NA	344.200075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR382	Cortisol F2	NA	344.200075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR382	Cortisol F2	NA	344.200075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR382	Cortisol F2	NA	344.200075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR382	Cortisol F2	F2	344.200075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ040697	Bhesine 	C22H24N4	344.200096	NA	MeJP	NA	NA
+MJ040698	Glomerulatine A; 1,2?-Dihydro 	C22H24N4	344.200096	NA	MeJP	NA	NA
+PJ000410	PTK 	C15H28N4O5	344.206	NA	PeJP	NA	NA
+2606	synthetic peptide inhibitors of (PEP)	HLPLPL	344.207	MH2+	Inhouse_peptide	NA	peptide
+2667	synthetic fr, of human beta-CN (124-129) ACE inhibitor	LHLPLP	344.207	MH2+	Inhouse_peptide	NA	peptide
+MJ040699	10-Methoxydihydrocorynantheol; 4?-N-Oxide 	C20H28N2O3	344.209992	NA	MeJP	NA	NA
+MJ040700	10-Methoxydihydrocorynantheol; 4?-N-Oxide 	C20H28N2O3	344.209992	NA	MeJP	NA	NA
+MJ040701	Multiflorine; 13?-Tigloyloxy 	C20H28N2O3	344.209992	NA	MeJP	NA	NA
+MJ040702	Ochromianoxine 	C20H28N2O3	344.209992	NA	MeJP	NA	NA
+MJ040703	Oxyphencyclimine 	C20H28N2O3	344.209992	NA	MeJP	NA	NA
+C07851	Oxyphencyclimine	C20H28N2O3	344.21	NA	KEGG	NA	NA
+PJ000411	GLR 	C14H28N6O4	344.2172	NA	PeJP	NA	NA
+8105	peptide derived from dried bonito	VKV	344.23	antioxidative	Inhouse_peptide	NA	peptide
+MJ040704	Lamtidine 	C18H28N6O	344.232459	NA	MeJP	NA	NA
+C11804	Lamtidine	C18H28N6O	344.2325	NA	KEGG	NA	NA
+C07119	Medroxyprogesterone	C22H32O3	344.2351	NA	KEGG	NA	NA
+C08158	Testosterone propionate	C22H32O3	344.2351	NA	KEGG	NA	NA
+C14643	Medrysone	C22H32O3	344.2351	NA	KEGG	NA	NA
+C14934	16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol	C22H32O3	344.2351	NA	KEGG	NA	NA
+C14954	17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate	C22H32O3	344.2351	NA	KEGG	NA	NA
+C14964	11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dione	C22H32O3	344.2351	NA	KEGG	NA	NA
+C15001	3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde	C22H32O3	344.2351	NA	KEGG	NA	NA
+C15064	17beta-(Hydroxymethyl)androst-4-en-3-one acetate	C22H32O3	344.2351	NA	KEGG	NA	NA
+C15273	17beta-Hydroxy-5alpha-androst-1-en-3-one propionate	C22H32O3	344.2351	NA	KEGG	NA	NA
+HMDB01939	Medroxyprogesterone	C22H32O3	344.235138	NA	HMDB2010	NA	NA
+HMDB10213	17-HDoHE	C22H32O3	344.235138	NA	HMDB2010	NA	NA
+HMDB13620	19(20)-EpDPE	C22H32O3	344.235138	NA	HMDB2010	NA	NA
+HMDB13621	16(17)-EpDPE	C22H32O3	344.235138	NA	HMDB2010	NA	NA
+HMDB01939	Medroxyprogesterone	C22H32O3	344.23514	http://www.hmdb.ca/metabolites/HMDB01939	HMDB	NA	NA
+HMDB01939	Medroxyprogesterone	C22H32O3	344.23514	HMDB01939	PFEM_hmdb_metabocards_official	NA	NA
+MJ040705	1(15),7,9-Dolastatriene-4,14-diol, 4-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040706	10-Hydroxy-4,7,11,13,16,19-docosahexaenoic acid 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040707	11-Hydroxy-6-methylpregn-4-ene-3,20-dione 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040708	12,15-Epoxy-8(17),12,14-labdatrien-16-ol; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040709	12-Hydroxy-9(11),16-kauradien-19-oic acid, Et ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040710	14,15-Epoxy-8(13),11(20)-amphilectadien-2-ol; 2?-form, Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040711	14-Hydroxy-4,7,10,12,16,19-docosahexaenoic acid 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040712	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Alcohol, 19-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040713	15,16-Epoxy-8(17),13(16),14-labdatrien-7-ol, Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040714	16-Ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040715	16-Kaurene-11,15-diol, 15-Ketone, 11-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040716	16-Oxo-3,4-secomansumbina-4(28),13(17)-dien-3-oic acid 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040717	17-Hydroxy-6-methylpregn-4-ene-3,20-dione 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040718	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Propanoyl 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040719	17-Hydroxypregn-4-ene-3,20-dione, Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040720	18-Hydroxy-3,13(16),14-clerodatrien-2-one; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040721	18-Vouacapanol; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040722	19-Vouacapanol; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040723	2-(4,8-Dimethyl-3,7-nonadienyl)-3,4-dihydro-3,5-dihydroxy-2,7-dimethyl-2H-1-benzopyran 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040724	2-(4,8-Dimethyl-3,7-nonadienyl)-3,4-dihydro-6,8-dihydroxy-2-methyl-2H-1-benzopyran, 8-Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040725	2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040726	21-Hydroxypregn-4-ene-3,20-dione; Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040727	3,16-Dihydroxy-23,24-dinorcholan-22-oic acid, 22?16 Lactone 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040728	3,4-Epoxy-13(15),16,18-sphenolobatrien-5-ol, Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040729	4,8,18-Dolabellatriene-3,16-diol, 16-Aldehyde, 3-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040730	5-Hydroxy-2-tridecyl-4H-1-benzopyran-4-one 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040731	6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 2-Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040732	6-Vouacapanol; 6?-form, Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040733	7-Hydroxy-3,8(17),12(18)-dolabellatrien-13-one; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040734	7-Vouacapanol, Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040735	8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040736	8,11,13-Abietatriene-12,18-diol; 18-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040737	8,11,13-Abietatriene-12,19-diol; 19-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040738	8,11,13-Abietatriene-3,12-diol, 3-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040739	8,11,13-Abietatriene-6,12-diol; 6?-form, 6-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040740	8,11,13-Abietatriene-7,19-diol; 7?-form, 19-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040741	9-Hydroxy-3,7,12-dolabellatrien-16-al, 9-Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040742	Acetylcoriacenone 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040743	Ambliofuran; 12-Acetoxy 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040744	Buxaheptalactone 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040745	Metenolone; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040746	Penostatin D, 6-Epimer, 9-ketone 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040747	Penostatin D, 9-Ketone 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040748	Penostatin E 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040749	Penostatin I 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040750	Sanadaol; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040751	Siccanochromene D 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040752	Spongiaquinone; 1'-Deoxy, 2',5'-quinol 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040753	Stenbolone; Ac 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040754	Strongylin A 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040755	Tricycloalternarene 3a; 7,8-Dihydro, 5,6-didehydro, Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040756	Tricycloalternarene 3a; Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040757	Ulocladol A; 7,8-Dihydro, 5,6-didehydro, Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040758	Ulocladol A; Me ether 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040759	Wiedendiol B 	C22H32O3	344.235144	NA	MeJP	NA	NA
+MJ040760	Oxydipentonium(2+); Dichloride 	C16H38Cl2N2O	344.236119	NA	MeJP	NA	NA
+PJ000412	VVK 	C16H32N4O4	344.2424	NA	PeJP	NA	NA
+HMDB03166	16b-Hydroxystanozolol	C21H32N2O2	344.246368	NA	HMDB2010	NA	NA
+HMDB03318	4b-Hydroxystanozolol	C21H32N2O2	344.246368	NA	HMDB2010	NA	NA
+HMDB06001	3'-Hydroxystanozolol	C21H32N2O2	344.246368	NA	HMDB2010	NA	NA
+HMDB03166	16beta-Hydroxystanozolol	C21H32N2O2	344.24637	http://www.hmdb.ca/metabolites/HMDB03166	HMDB	NA	NA
+HMDB03318	4b-Hydroxystanozolol	C21H32N2O2	344.24637	http://www.hmdb.ca/metabolites/HMDB03318	HMDB	NA	NA
+HMDB03166	16beta-Hydroxystanozolol	C21H32N2O2	344.24637	HMDB03166	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03318	4b-Hydroxystanozolol	C21H32N2O2	344.24637	HMDB03318	PFEM_hmdb_metabocards_official	NA	NA
+MJ040761	Kurchenine 	C21H32N2O2	344.246378	NA	MeJP	NA	NA
+MJ040762	9-Hydroxynonadecanedioic acid 	C19H36O5	344.256274	NA	MeJP	NA	NA
+MJ040763	Protomethine 	C20H32N4O	344.257611	NA	MeJP	NA	NA
+MJ040764	1-Phenyl-1,3-heptadecanedione 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040765	3-(8,11,14-Heptadecatrienyl)-1,2-benzenediol; 14,15-Dihydro 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040766	3-Hydroxy-24-nor-5-cholen-23-al 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040767	4-(8,11-Heptadecadienyl)-1,2-benzenediol 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040768	5-Heptadecyl-1,3-benzenediol; 8',9',11',12'-Tetradehydro(Z,Z-) 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040769	8(14),15-Isopimaradiene-18,19-diol; 18,19-Isopropylidene 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040770	Dimepregnen 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040771	Luteone 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040772	Plastoquinol-1 	C23H36O2	344.27153	NA	MeJP	NA	NA
+MJ040773	10,20-Dihydroxyeicosanoic acid 	C20H40O4	344.292659	NA	MeJP	NA	NA
+MJ040774	11,12-Dihydroxyeicosanoic acid 	C20H40O4	344.292659	NA	MeJP	NA	NA
+MJ040775	Glycerol 1-alkanoates; Glycerol 1-(15-methylhexadecanoate) 	C20H40O4	344.292659	NA	MeJP	NA	NA
+C14979	3beta-Cyclopentyl-5alpha-androstan-17beta-ol	C24H40O	344.3079	NA	KEGG	NA	NA
+MJ040776	Dihydroisoconessimine 	C23H40N2	344.319149	NA	MeJP	NA	NA
+MJ040777	Pregn-5-ene-3,20-diamine, N20,N20-Di-Me 	C23H40N2	344.319149	NA	MeJP	NA	NA
+MJ040778	Pregn-5-ene-3,20-diamine, N3,N3-Di-Me 	C23H40N2	344.319149	NA	MeJP	NA	NA
+C13858	1-O-Octadecyl-sn-glycerol	C21H44O3	344.329	NA	KEGG	NA	NA
+HMDB11143	MG(18:0e/0:0/0:0)	C21H44O3	344.329041	NA	HMDB2010	NA	NA
+MJ040779	3-(15-Methylheptadecyloxy)-1,2-propanediol 	C21H44O3	344.329045	NA	MeJP	NA	NA
+MJ040780	3-(16-Methylheptadecyloxy)-1,2-propanediol 	C21H44O3	344.329045	NA	MeJP	NA	NA
+MJ040781	3-(Octadecyloxy)-1,2-propanediol 	C21H44O3	344.329045	NA	MeJP	NA	NA
+MJ040782	2,6,14-Trimethyl-10-methylene-9-(3-methyl-4-pentenyl)-6-pentadecene; 2,3-Didehydro 	C25H44	344.344301	NA	MeJP	NA	NA
+MJ040783	Secohopane II 	C25H44	344.344301	NA	MeJP	NA	NA
+7889	peptide from skin gelatin of hoki (Johnius belengerii)	HGPLGPL	344.686	MH2+	Inhouse_peptide	NA	peptide
+MJ040784	3,4,5-Tribromo-1H-pyrrole-2-carboxylic acid 	C5H2Br3NO2	344.763566	NA	MeJP	NA	NA
+MJ040785	(Ethylenediaminetetraacetato)ferrate(III)(1-) 	C10H12FeN2O8(-)	345.002132	NA	MeJP	NA	NA
+C11266	8-Bromoadenosine	C10H12BrN5O4	345.0073	NA	KEGG	NA	NA
+C11267	Transferred to D01056	C10H12BrN5O4	345.0073	NA	KEGG	NA	NA
+C00942	3',5'-Cyclic GMP	C10H12N5O7P	345.0474	NA	KEGG	NA	NA
+C06194	2',3'-Cyclic GMP	C10H12N5O7P	345.0474	NA	KEGG	NA	NA
+C07025	3'-Keto-3'-deoxy-AMP	C10H12N5O7P	345.0474	NA	KEGG	NA	NA
+HMDB01314	Cyclic GMP	C10H12N5O7P	345.04742	http://www.hmdb.ca/metabolites/HMDB01314	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01314	Cyclic GMP	C10H12N5O7P	345.04742	http://www.hmdb.ca/metabolites/HMDB01314	HMDB	NA	NA
+HMDB01314	Cyclic GMP	C10H12N5O7P	345.04742	http://www.hmdb.ca/metabolites/HMDB01314	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01314	Cyclic GMP	C10H12N5O7P	345.04742	HMDB01314	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01314	Cyclic GMP	C10H12N5O7P	345.047424	NA	HMDB2010	NA	NA
+HMDB11629	Guanosine 2',3'-cyclic phosphate	C10H12N5O7P	345.047424	NA	HMDB2010	NA	NA
+MJ040786	Cyclic GMP 	C10H12N5O7P	345.047434	NA	MeJP	NA	NA
+MJ040787	2',3'-Cyclic GMP 	C10H12N5O7P	345.047434	NA	MeJP	NA	NA
+MJ040788	3',5'-Cyclic GMP 	C10H12N5O7P	345.047434	NA	MeJP	NA	NA
+MJ040789	3'-Keto-3'-deoxy-AMP 	C10H12N5O7P	345.047434	NA	MeJP	NA	NA
+MetaCyc03058	cyclic-GMP [3',5'-cyclic GMP;guanosine-cyclic-phosphoric-acid;cGMP;guanosine cyclic-monophosphate;guanosine 3',5'-cyclic-monophosphate;guanosine 3',5'-cyclic phosphate;]	C10H12N5O7P1	345.047434	7665-99-8	metacyc	NA	NA
+MetaCyc03059	guanosine 2',3'-cyclic monophosphate [2',3'-Cyclic GMP;]	C10H12N5O7P1	345.047434	NA	metacyc	NA	NA
+MJ040790	Polycarpamine B 	C14H19NO3S3	345.052705	NA	MeJP	NA	NA
+MJ040791	Tubercidin; 5'-O-Sulfamoyl 	C11H15N5O6S	345.074303	NA	MeJP	NA	NA
+C01081	Thiamin monophosphate	C12H18N4O4PS	345.0786	NA	KEGG	NA	NA
+MJ040792	Thiamin monophosphate 	C12H18N4O4PS	345.078637	NA	MeJP	NA	NA
+MetaCyc03060	thiamine-phosphate [thiamin monophosphate;thiamin phosphate;thiamin-P;thiamine-Pi;ThP;thiamine monophosphate;]	C12H18N4O4P1S1	345.078637	532-40-1	metacyc	NA	NA
+MJ040793	3?-(4,4,4-Trichloro-2-butyryloxy)tropane 	C17H22Cl3N	345.081782	NA	MeJP	NA	NA
+MJ040794	Usnic acid amide 	C17H15NO7	345.084851	NA	MeJP	NA	NA
+C17240	p-Hydroxybenzyldesulphoglucosinolate	C14H19NO7S	345.0882	NA	KEGG	NA	NA
+MJ040795	Clopamide 	C14H20ClN3O3S	345.091389	NA	MeJP	NA	NA
+MJ040796	Cloxathiepin 	C19H20ClNOS	345.095412	NA	MeJP	NA	NA
+C08595	Capensinidin	C18H17O7	345.0974	NA	KEGG	NA	NA
+C08643	Hirsutidin	C18H17O7	345.0974	NA	KEGG	NA	NA
+FL7ACINS0001	Hirsutidin	C18H17O7	345.09742	4092-66-4	knapsack	NA	NA
+MJ040797	Antibiotic 13285A 	C13H19N3O6S	345.099456	NA	MeJP	NA	NA
+MJ040798	Penicillin N; 3-De-?-Me 	C13H19N3O6S	345.099456	NA	MeJP	NA	NA
+C17757	2-Descarboxy-betanidin	C17H17N2O6	345.1087	NA	KEGG	NA	NA
+PJ000413	SCH 	C12H19N5O5S	345.1107	NA	PeJP	NA	NA
+MJ040799	Arcyriarubin A; 3,4-Dihydro, 6'-hydroxy 	C20H15N3O3	345.111341	NA	MeJP	NA	NA
+MJ040800	Euxylophoricine A; 7,8-Didehydro 	C20H15N3O3	345.111341	NA	MeJP	NA	NA
+MJ040801	Violacein; 3,3'-Dihydro 	C20H15N3O3	345.111341	NA	MeJP	NA	NA
+C07324	Omeprazole	C17H19N3O3S	345.1147	NA	KEGG	NA	NA
+MJ040802	11-[(Dimethylamino)acetyl]-6,11-dihydro-6-methyldibenzo[c,f][1,2,5]thiadiazepine 5,5-dioxide 	C17H19N3O3S	345.114712	NA	MeJP	NA	NA
+MJ040803	5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide 	C17H19N3O3S	345.114712	NA	MeJP	NA	NA
+MJ040804	Omeprazole 	C17H19N3O3S	345.114712	NA	MeJP	NA	NA
+HMDB01913	Omeprazole	C17H19N3O3S	345.114716	NA	HMDB2010	NA	NA
+HMDB05009	(S)-Esomeprazole	C17H19N3O3S	345.114716	NA	HMDB2010	NA	NA
+HMDB01913	Omeprazole	C17H19N3O3S	345.11472	http://www.hmdb.ca/metabolites/HMDB01913	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01913	Omeprazole	C17H19N3O3S	345.11472	http://www.hmdb.ca/metabolites/HMDB01913	HMDB	NA	NA
+HMDB05009	(S)-Esomeprazole	C17H19N3O3S	345.11472	http://www.hmdb.ca/metabolites/HMDB05009	HMDB	NA	NA
+HMDB01913	Omeprazole	C17H19N3O3S	345.11472	http://www.hmdb.ca/metabolites/HMDB01913	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01913	Omeprazole	C17H19N3O3S	345.11472	HMDB01913	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05009	(S)-Esomeprazole	C17H19N3O3S	345.11472	HMDB05009	PFEM_hmdb_metabocards_official	NA	NA
+C11002	Isofenphos	C15H24NO4PS	345.1164	NA	KEGG	NA	NA
+PJ000414	PDD 	C13H19N3O8	345.1172	NA	PeJP	NA	NA
+MJ040805	3-(3-Amino-3-carboxypropyl)uridine 	C13H19N3O8	345.117214	NA	MeJP	NA	NA
+C08520	Candimine	C18H19NO6	345.1212	NA	KEGG	NA	NA
+MJ040806	1,2,3,5,6-Pentahydroxyacridone; 1,2,3,5,6-Penta-Me ether 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040807	1,2,3,5,6-Pentahydroxyacridone; 2,3,5,6,10-Penta-Me 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040808	Acronydine; 1,2-Dihydro, 1R*,2R*-dihydroxy 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040809	Acronydine; 1,2-Dihydro, 1R*,2S*-dihydroxy 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040810	Candimine 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040811	Isopteleflorine, Ac 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040812	Krigeine; 7-Ketone (lactone) 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040813	Physarorubinic acid 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040814	Renierol; 1,2-Dihydro, O-angeloyl, N-formyl 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040815	Tecleaverdoornine; 3',4'-Dihydro, 4'-hydroxy 	C18H19NO6	345.121237	NA	MeJP	NA	NA
+MJ040816	2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine 	C18H15N7O	345.133808	NA	MeJP	NA	NA
+MJ040817	Anhydrodehydrotylophorinidine 	C22H20NO3(+)	345.136493	NA	MeJP	NA	NA
+MJ040818	Pyridoxine; O1''-Me, 5-O-?-D-glucopyranoside 	C15H23NO8	345.142366	NA	MeJP	NA	NA
+MJ040819	Angustoline, Me ether 	C21H19N3O2	345.147726	NA	MeJP	NA	NA
+MJ040820	Lyaline 	C21H19N3O2	345.147726	NA	MeJP	NA	NA
+MJ040821	Naufoline; 16-Methoxycarbonyl 	C21H19N3O2	345.147726	NA	MeJP	NA	NA
+MJ040822	Metofoline 	C20H24ClNO2	345.149556	NA	MeJP	NA	NA
+MJ040823	Podilfen 	C18H23N3O2S	345.151097	NA	MeJP	NA	NA
+PJ000415	PTE 	C14H23N3O7	345.1536	NA	PeJP	NA	NA
+C08515	Albomaculine	C19H23NO5	345.1576	NA	KEGG	NA	NA
+C09325	Aknadicine	C19H23NO5	345.1576	NA	KEGG	NA	NA
+MJ040824	Aknadinine, N-De-Me 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040825	Carococculine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040826	Dinklageine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040827	Erythrartine; N-Oxide 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040828	Erythratine; 11-Methoxy 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040829	Heterocarpine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040830	Jerusalemine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040831	Metaphanine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040832	Nerinine; 7-Ketone(lactone) 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040833	Phellinine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040834	Pretazettine; 8-Epimer, O8-Et, N-de-Me 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040835	Pretazettine; O8-Et, N-de-Me 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040836	Prostephabyssine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040837	Punikathine 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040838	Reticuline, N-Oxide 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040839	Sanguinine; N-De-Me, O3-(3-hydroxybutanoyl) 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040840	Semorphone 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040841	Tretoquinol 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040842	Unsevine; O-De-Me, O7-Et 	C19H23NO5	345.157622	NA	MeJP	NA	NA
+MJ040843	Acodazole 	C20H19N5O	345.15896	NA	MeJP	NA	NA
+2617	synthetic fr, of human beta-CN (99-101) ACE inhibitor	VMP	345.1604	NA	Inhouse_peptide	NA	peptide
+PJ000416	AQQ 	C13H23N5O6	345.1648	NA	PeJP	NA	NA
+PJ000417	GAAQ 	C13H23N5O6	345.1649	NA	PeJP	NA	NA
+MJ040844	2-Amino-6-(1H-indol-3-ylacetyl)hexanoic acid, N2-Ac 	C18H23N3O4	345.168856	NA	MeJP	NA	NA
+C13591	Metipranolol hydrochloride	C17H27NO4	345.1707	NA	KEGG	NA	NA
+C13592	Transferred to D02082	C17H27NO4	345.1707	NA	KEGG	NA	NA
+C13593	Transferred to D00357	C17H27NO4	345.1707	NA	KEGG	NA	NA
+C13594	Amrinone lactate	C10H9N3O	345.1707	NA	KEGG	NA	NA
+C13595	Milrinone lactate	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13596	Transferred to D02086	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13597	Transferred to D02087	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13598	Transferred to D02088	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13599	Transferred to D02089	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13600	Transferred to D02090	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13601	Transferred to D02091	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13602	Transferred to D02092	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13603	Transferred to D02093	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13604	Transferred to D02094	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13605	Transferred to D02095	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13606	Transferred to D02096	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13607	Transferred to D02097	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13608	Transferred to D02098	C12H9N3O	345.1707	NA	KEGG	NA	NA
+C13609	Transferred to D02099	C12H9N3O	345.1707	NA	KEGG	NA	NA
+PJ000418	PVM 	C15H27N3O4S	345.1722	NA	PeJP	NA	NA
+MJ040845	Crisnatol 	C23H23NO2	345.172878	NA	MeJP	NA	NA
+MJ040846	Murrayacinine 	C23H23NO2	345.172878	NA	MeJP	NA	NA
+MJ040847	Murrayamine J 	C23H23NO2	345.172878	NA	MeJP	NA	NA
+MJ040848	Murrayamine M 	C23H23NO2	345.172878	NA	MeJP	NA	NA
+MJ040849	Cyclofoxy 	C20H24FNO3	345.174021	NA	MeJP	NA	NA
+PJ000419	GNR 	C12H23N7O5	345.1761	NA	PeJP	NA	NA
+MJ040850	Europine; N-Oxide 	C16H27NO7	345.178752	NA	MeJP	NA	NA
+PJ000420	VVE 	C15H27N3O6	345.19	NA	PeJP	NA	NA
+MJ040851	Eptapirone 	C16H23N7O2	345.191323	NA	MeJP	NA	NA
+MJ040852	Athrocupressine 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040853	Bevantolol 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040854	Cephalofortuneine; 7-Deoxy 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040855	Epilupinine, O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040856	Hetisan-2,11,13,14-tetrol 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040857	Ignavine; O-Debenzoyl, 3-epimer 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040858	Kesselridine; O6,O12-Di-Me 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040859	Lupinine, O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040860	Luteicine 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040861	Robustamine 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040862	Rosmaricine 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040863	Saussureamine B 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040864	Septentriosine 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040865	Tannagine; 14-Epimer, 7,8-dihydro, 8-demethoxy 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040866	Tanwusine A 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+MJ040867	Vakhmatine 	C20H27NO4	345.194008	NA	MeJP	NA	NA
+3368	ACE inhibitor	FQKVVA	345.1965	MH2+	Inhouse_peptide	NA	peptide
+25	Hemoglobin	FQKVVA	345.1975	MH2+	Inhouse_peptide	NA	peptide
+PJ000421	AQK 	C14H27N5O5	345.2012	NA	PeJP	NA	NA
+MJ040868	7-Isothiocyanato-11(20),14-epiamphilectadien-12-ol 	C21H31NOS	345.212635	NA	MeJP	NA	NA
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	HMDB	NA	NA
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	Inhouse_PFEM	NA	NA
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC032	UNKNOWN signif manip paracetamol	NA	345.2228	RT9.6	PFEM_hmdb_metabocards_official	NA	NA
+3379	ACE inhibitor	AKK	345.225	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000422	TLL 	C16H31N3O5	345.2264	NA	PeJP	NA	NA
+MJ040869	4-Amino-3-hydroxybenzoic acid; 2,7-Tetradecadienyl ester (2E,7?) 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040870	Alkaloid GB 17 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040871	Brunonine; 15-Epimer, O-de-Et, O19-Me 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040872	Cycloneosamandaridine 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040873	Dehydrocardiopetaline 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040874	Dictysine; 15-Ketone 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040875	Joalin 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040876	Lepenine; N-De-Et, N-Me 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040877	Napelline; N-De-Et, N-Me 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040878	Samandaridine 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+MJ040879	Spirendolol 	C21H31NO3	345.230393	NA	MeJP	NA	NA
+PJ000423	AKK 	C15H31N5O4	345.2376	NA	PeJP	NA	NA
+MJ040880	Negamycin, 5-Deoxy, 3-N-leucyl 	C15H31N5O4	345.237604	NA	MeJP	NA	NA
+MJ040881	Broussonetinine A 	C18H35NO5	345.251523	NA	MeJP	NA	NA
+MJ040882	Atidine; 7-Deoxo 	C22H35NO2	345.266779	NA	MeJP	NA	NA
+MJ040883	Buxus Alkaloid N 	C22H35NO2	345.266779	NA	MeJP	NA	NA
+MJ040884	Himbacine 	C22H35NO2	345.266779	NA	MeJP	NA	NA
+MJ040885	Kurchiphyllamine 	C22H35NO2	345.266779	NA	MeJP	NA	NA
+MJ040886	Latifoline; 12?-Hydroxy 	C22H35NO2	345.266779	NA	MeJP	NA	NA
+MJ040887	Secoverine 	C22H35NO2	345.266779	NA	MeJP	NA	NA
+C10598	Himbacine	C22H35NO2	345.2668	NA	KEGG	NA	NA
+MJ040888	N-Cyclohexyl-N'-tricyclo[3.3.1.13,7]dec-1-yl-4-morpholinecarboximidamide 	C21H35N3O	345.278012	NA	MeJP	NA	NA
+HMDB06751	Phytoceramide	C19H39NO4	345.2879	http://www.hmdb.ca/metabolites/HMDB06751	HMDB	NA	NA
+HMDB06751	Phytoceramide	C19H39NO4	345.2879	HMDB06751	PFEM_hmdb_metabocards_official	NA	NA
+MJ040889	2,4,12-Octadecatrienoic acid, Piperidide 	C23H39NO	345.303164	NA	MeJP	NA	NA
+MJ040890	2,4,14-Octadecatrienoic acid, Piperidide 	C23H39NO	345.303164	NA	MeJP	NA	NA
+MJ040891	20-Aminopregn-5-en-3-ol, N-Di-Me 	C23H39NO	345.303164	NA	MeJP	NA	NA
+MJ040892	20-Aminopregnan-3-one, N,N-Di-Me 	C23H39NO	345.303164	NA	MeJP	NA	NA
+MJ040893	3-Aminopregnan-20-one, N-Di-Me 	C23H39NO	345.303164	NA	MeJP	NA	NA
+C10810	Irehine	C23H39NO	345.3032	NA	KEGG	NA	NA
+MJ040894	2-Amino-1,3,4-eicosanetriol 	C20H43NO3	345.324294	NA	MeJP	NA	NA
+MJ040895	Bromodiiodomethane 	CHBrI2	345.735099	NA	MeJP	NA	NA
+MJ040896	3-Bromo-4-hydroxy-9,10-dioxo-1-anthracenecarboxylic acid 	C15H7BrO5	345.947685	NA	MeJP	NA	NA
+MJ040897	Clodantoin 	C11H17Cl3N2O2S	346.007631	NA	MeJP	NA	NA
+MJ040898	Chlorofucin 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040899	Dactomelyne 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040900	Epoxyisodihydrorhodophytin 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040901	Laureacetal E 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040902	Notoryne 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040903	Rogiolenyne D; 4?,5?-Epoxide 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040904	Rogioloxepane A; 9?,10?-Epoxide 	C15H20BrClO2	346.03352	NA	MeJP	NA	NA
+MJ040905	[4-[[[2-[(4-Amino-1,2,5-thiadiazol-3-yl)amino]ethyl]thio]methyl]-2-thiazolyl]guanidine S-oxide 	C9H14N8OS3	346.045269	NA	MeJP	NA	NA
+MJ040906	3,3'-Bisjuglone 	C20H10O6	346.047738	NA	MeJP	NA	NA
+MJ040907	Bilawsone 	C20H10O6	346.047738	NA	MeJP	NA	NA
+MJ040908	Bulgarhodin 	C20H10O6	346.047738	NA	MeJP	NA	NA
+MetaCyc03061	precursor-Z []	C10H13N5O7P1	346.055259	NA	metacyc	NA	NA
+MJ040909	18-Bromo-13,17-octadecadiene-5,7,15-triynoic acid 	C18H19BrO2	346.056842	NA	MeJP	NA	NA
+MJ040910	18-Bromo-9,15-octadecadiene-5,7,17-triynoic acid 	C18H19BrO2	346.056842	NA	MeJP	NA	NA
+MJ040911	18-Bromo-9,17-octadecadiene-5,7,15-triynoic acid 	C18H19BrO2	346.056842	NA	MeJP	NA	NA
+MJ040912	6-Bromo-5,15-octadecadiene-11,13,17-triynoic acid 	C18H19BrO2	346.056842	NA	MeJP	NA	NA
+MJ040913	Pentamethonium(2+); Dibromide 	C11H28Br2N2	346.061924	NA	MeJP	NA	NA
+MJ040914	Cassipourine 	C14H22N2S4	346.066581	NA	MeJP	NA	NA
+FL3FEGNS0001	5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone	C17H14O8	346.06886	115713-04-7	knapsack	NA	NA
+FL3FEGNS0002	5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone	C17H14O8	346.06886	79154-47-5	knapsack	NA	NA
+FL3FELNS0001	5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone	C17H14O8	346.06886	81979-84-2	knapsack	NA	NA
+FL3FF8NS0013	Ganhuangenin	C17H14O8	346.06886	92519-91-0	knapsack	NA	NA
+FL3FF8NS0014	5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone	C17H14O8	346.06886	101909-89-1	knapsack	NA	NA
+FL3FFGNS0002	5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone	C17H14O8	346.06886	64251-86-1	knapsack	NA	NA
+FL3FFLNS0004	5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone	C17H14O8	346.06886	102673-77-8	knapsack	NA	NA
+FL3FG8NS0005	5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone	C17H14O8	346.06886	136055-62-4	knapsack	NA	NA
+FL3FGCNS0003	5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone	C17H14O8	346.06886	57093-50-2	knapsack	NA	NA
+FL3FGCNS0016	Leucanthogenin;5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	99615-00-6	knapsack	NA	NA
+FL4DACNS0002	Taxifolin 3-acetate	C17H14O8	346.06886	78834-97-6	knapsack	NA	NA
+FL5F2GNS0001	Inucrithmin;2-(3,4-Dihydroxy-5-methoxyphenyl)-3,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	179085-60-0	knapsack	NA	NA
+FL5FAINS0001	Syringetin	C17H14O8	346.06886	4423-37-4	knapsack	NA	NA
+FL5FAJNM0001	Dumosol	C17H14O8	346.06886	69935-13-3	knapsack	NA	NA
+FL5FAKNS0001	Myricetin 3',4'-dimethyl ether	C17H14O8	346.06886	80368-73-6	knapsack	NA	NA
+FL5FALNS0005	Viscidulin III	C17H14O8	346.06886	90965-31-4	knapsack	NA	NA
+FL5FALNS0008	5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone	C17H14O8	346.06886	113744-08-4	knapsack	NA	NA
+FL5FALNS0009	5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone	C17H14O8	346.06886	113122-21-7	knapsack	NA	NA
+FL5FCJNS0001	Myricetin 7,4'-dimethyl ether	C17H14O8	346.06886	86828-05-9	knapsack	NA	NA
+FL5FDGNM0001	Alluaudiol	C17H14O8	346.06886	71765-77-0	knapsack	NA	NA
+FL5FDHNS0001	Artemexitin	C17H14O8	346.06886	73607-03-1	knapsack	NA	NA
+FL5FDJNS0001	Myricetin 3,4'-dimethyl ether	C17H14O8	346.06886	71325-90-1	knapsack	NA	NA
+FL5FECNS0009	Axillarin;3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone;Quercetagetin 3,6-dimethyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	5188-73-8	knapsack	NA	NA
+FL5FECNS0010	Tomentin;5,6,3',4'-Tetrahydroxy-3,7-dimethoxyflavone;3,7-Dimethylquercetagetin;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	59171-23-2	knapsack	NA	NA
+FL5FECNS0011	Quercetagetin 3,3'-dimethyl ether	C17H14O8	346.06886	36034-36-3	knapsack	NA	NA
+FL5FECNS0012	Quercetagetin 3,4'-dimethyl ether;5,6,7,3'-Tetrahydroxy-3,4'-dimethoxyflavone;5,6,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	59171-34-5	knapsack	NA	NA
+FL5FECNS0013	Eupatolitin;3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	29536-44-5	knapsack	NA	NA
+FL5FECNS0014	Spinacetin;3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone;Quercetagetin 3',6-dimethyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	3153-83-1	knapsack	NA	NA
+FL5FECNS0015	Laciniatin;3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	74161-28-7	knapsack	NA	NA
+FL5FFCNS0006	Gossypetin 3,7-dimethyl ether;5,8,3',4',-Tetrahydroxy-3,7-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	57765-84-1	knapsack	NA	NA
+FL5FFCNS0007	Gossypetin 3,8-dimethyl ether;5,7,3',4'-Tetrahydroxy-3,8-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	4988-22-1	knapsack	NA	NA
+FL5FFCNS0008	Gossypetin 3,3'-dimethyl ether	C17H14O8	346.06886	96887-24-0	knapsack	NA	NA
+FL5FFCNS0009	Gossypetin 3,4'-dimethyl ether	C17H14O8	346.06886	123563-74-6	knapsack	NA	NA
+FL5FFCNS0010	Gossypetin 7,4'-dimethyl ether	C17H14O8	346.06886	-	knapsack	NA	NA
+FL5FFCNS0011	Limocitrin	C17H14O8	346.06886	489-33-8	knapsack	NA	NA
+FL5FFCNS0012	Gossypetin 8,4'-dimethyl ether	C17H14O8	346.06886	111514-47-7	knapsack	NA	NA
+FL5FFCNS0034	7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone;2-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	637774-70-0	knapsack	NA	NA
+FL5FFCNS0035	Zanthoxyl flavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C17H14O8	346.06886	102487-38-7	knapsack	NA	NA
+FL5FGANS0001	5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone	C17H14O8	346.06886	102673-81-4	knapsack	NA	NA
+MJ040915	1,2,3,4,5,7-Hexahydroxy-6-methylanthraquinone; 2,3-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040916	1,2,3,6,8-Pentahydroxy-7-(1-hydroxyethyl)anthraquinone, 1'-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040917	1,2,4,5,6,8-Hexahydroxy-3-methylanthraquinone; 5,6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040918	1,3,4,5,6,8-Hexahydroxy-2-methylanthraquinone; 5,8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040919	2',3',5,5',7,8-Hexahydroxyflavone; 2',8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040920	2',3',5,6',7,8-Hexahydroxyflavone; 2',8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040921	2',3,4',5,5',7-Hexahydroxyflavone; 2',3-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040922	2',3,4',5,5',7-Hexahydroxyflavone; 2',5'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040923	2',3,4',5,5',7-Hexahydroxyflavone; 3,4'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040924	2',4',5,5',6,7-Hexahydroxyflavone; 5',6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040925	2',4',5,5',7,8-Hexahydroxyflavone; 5',8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040926	2',5,6,6',7,8-Hexahydroxyflavone; 7,8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040927	3',4',5,5',6,7-Hexahydroxyflavone; 4',6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040928	3',4',5,5',6,7-Hexahydroxyflavone; 5',6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040929	3',4',5,5',6,7-Hexahydroxyflavone; 6,7-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040930	3',4',5,5',6,8-Hexahydroxyflavone; 4',5'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040931	3',4',5,5',7,8-Hexahydroxyflavone; 4',8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040932	3',4',5,6,7,8-Hexahydroxyflavone; 3',4'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040933	3',4',5,6,7,8-Hexahydroxyflavone; 6,8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040934	3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040935	3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040936	3',5,5',7-Tetrahydroxy-3,4'-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040937	3,3',4',5',6,7-Hexahydroxyflavone; 3',6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040938	3,3',4',5,5',7-Hexahydroxy-6-methylflavone; 3-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040939	3,3',4',5,5',7-Hexahydroxy-6-methylflavone; 4'-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040940	3,3',4',5,5',7-Hexahydroxyflavone; 3',4'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040941	3,3',4',5,5',7-Hexahydroxyflavone; 3,3'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040942	3,3',4',5,6,7-Hexahydroxyflavone; 3,4'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040943	3,3',4',5,6,7-Hexahydroxyflavone; 4',6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040944	3,3',4',5,7,8-Hexahydroxyflavone; 3,3'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040945	3,3',4',5,7,8-Hexahydroxyflavone; 3,4'-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040946	3,3',4',5,7,8-Hexahydroxyflavone; 3,7-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040947	3,3',4',5,7,8-Hexahydroxyflavone; 3,8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040948	3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040949	3,3',4',5,7-Pentahydroxyflavanone, 3-Ac 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040950	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040951	3,4',5,6,7,8-Hexahydroxyflavone; 3,6-Di-Me ether 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040952	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040953	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040954	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040955	4',5,6,7-Tetrahydroxy-3,3'-dimethoxyflavone 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040956	Aflatoxin G1; 15,16-Dihydro, 16-hydroxy 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040957	Aflatoxin GM1; 9,10-Dihydro 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040958	Barbatolin 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040959	Pannaric acid; 4-Hydroxy, 2-Me ester 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MJ040960	Trichione 	C17H14O8	346.068867	NA	MeJP	NA	NA
+MetaCyc03062	syringetin []	C17H14O8	346.068867	NA	metacyc	NA	NA
+MetaCyc03063	3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone []	C17H14O8	346.068867	NA	metacyc	NA	NA
+C04581	3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone	C17H14O8	346.0689	NA	KEGG	NA	NA
+C09967	Taxifolin 3-O-acetate	C17H14O8	346.0689	NA	KEGG	NA	NA
+C10021	Axillarin	C17H14O8	346.0689	NA	KEGG	NA	NA
+C11620	Syringetin	C17H14O8	346.0689	NA	KEGG	NA	NA
+C17788	Eupatolitin	C17H14O8	346.0689	NA	KEGG	NA	NA
+MJ040961	Adenosine; 5'-O-Sulfamoyl 	C10H14N6O6S	346.069552	NA	MeJP	NA	NA
+MJ040962	3'-Amino-3'-deoxy-AMP 	C10H15N6O6P	346.079068	NA	MeJP	NA	NA
+MetaCyc03064	adenosine 5'-phosphoramidate []	C10H15N6O6P1	346.079069	NA	metacyc	NA	NA
+C01655	2-AminoAMP	C10H15N6O6P	346.0791	NA	KEGG	NA	NA
+C01656	3-Oxo acid	C3H3O3R	346.0791	NA	KEGG	NA	NA
+C03851	Adenosine 5'-phosphoramidate	C10H15N6O6P	346.0791	NA	KEGG	NA	NA
+C07026	3'-Amino-3'-deoxy-AMP	C10H15N6O6P	346.0791	NA	KEGG	NA	NA
+MJ040963	6-Hydroxy-2',4-dimethylspiro[benzofuran-2(3H),7'(8'H)-naphtho[1,8-bc]pyran]-3,8'-dione 	C21H14O5	346.084123	NA	MeJP	NA	NA
+MJ040964	Raclopride 	C15H20Cl2N2O3	346.085097	NA	MeJP	NA	NA
+MJ040965	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(3-Methylthio-2-propenoyl(Z-)) 	C18H18O5S	346.087494	NA	MeJP	NA	NA
+MJ040966	Dihydrooroselol, O-[(E)-3-Methylthio-2-propenoyl] 	C18H18O5S	346.087494	NA	MeJP	NA	NA
+MJ040967	2',3',4',6'-Tetrahydroxyacetophenone; 2'-O-?-D-Glucopyranoside 	C14H18O10	346.089996	NA	MeJP	NA	NA
+MJ040968	2',3',4',6'-Tetrahydroxyacetophenone; 3'-O-?-D-Glucopyranoside 	C14H18O10	346.089996	NA	MeJP	NA	NA
+MJ040969	3,4,5-Trihydroxybenzoic acid; 3-Me ether, 5-O-?-D-glucopyranoside 	C14H18O10	346.089996	NA	MeJP	NA	NA
+MJ040970	6-Galloylglucose; ?-D-Pyranose-form, Me glycoside 	C14H18O10	346.089996	NA	MeJP	NA	NA
+MJ040971	8-Iminosanguinarine 	C20H14N2O4	346.095356	NA	MeJP	NA	NA
+MJ040972	Camptothecin, 18,19-Didehydro 	C20H14N2O4	346.095356	NA	MeJP	NA	NA
+MJ040973	Terfluranol, 3',3''-Difluoro 	C17H15F5O2	346.09922	NA	MeJP	NA	NA
+FL1CECNS0003	Hamilcone;3,4,6'-Trihydroxy-2',3',4'-trimethoxychalcone	C18H18O7	346.10525	205444-64-0	knapsack	NA	NA
+FL1DGANS0001	2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone	C18H18O7	346.10525	97868-10-5	knapsack	NA	NA
+FL2FALNS0007	5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone	C18H18O7	346.10525	625111-93-5	knapsack	NA	NA
+FL2FE8NS0003	5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone	C18H18O7	346.10525	100079-36-5	knapsack	NA	NA
+FL2FECNS0001	5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone	C18H18O7	346.10525	111670-59-8	knapsack	NA	NA
+FL2FECNS0002	Agestricin D	C18H18O7	346.10525	85563-76-4	knapsack	NA	NA
+FL2FF8NS0003	5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone	C18H18O7	346.10525	100079-35-4	knapsack	NA	NA
+FL2FFCNS0002	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone	C18H18O7	346.10525	90850-98-9	knapsack	NA	NA
+FL2FGANS0001	5,6-Dihydroxy-7,8,4'-trimethoxyflavanone	C18H18O7	346.10525	75933-08-3	knapsack	NA	NA
+FL2FGANS0002	5,4'-Dihydroxy-6,7,8-trimethoxyflavanone	C18H18O7	346.10525	75933-09-4	knapsack	NA	NA
+FLICQUNS0005	Amorphaquinone;7-Hydroxy-8,3',4'-trimethoxyisoflavanquinone	C18H18O7	346.10525	70283-29-3	knapsack	NA	NA
+FLID2GNS0001	2,8-Dihydroxy-3,9,10-trimethoxypterocarpan	C18H18O7	346.10525	76474-66-3	knapsack	NA	NA
+MJ040974	1,2,3,4,7-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040975	1,2,3,4,8-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040976	1,2,3,6,7-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040977	1,2,3,7,8-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040978	1,2,5,6,8-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040979	1,3,4,5,6-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040980	1,3,4,5,8-Pentahydroxyxanthone; Penta-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040981	1,3,5,6-Tetrahydroxy-2-prenylxanthone; 2',3'-Dihydro, 3'-hydroxy 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040982	2',3',4,4',5',6'-Hexahydroxydihydrochalcone; 3',4''-Di-Me, 4',5'-methylene ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040983	2',3,3',4,4',6'-Hexahydroxychalcone; 2',3',4'-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040984	2',4',5,5',7-Pentahydroxyisoflavanone, 2',4',5'-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040985	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 2',6-Di-Me ether, Me ester 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040986	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 4,6-Di-Me ether, Me ester 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040987	2',5,6',7,8-Pentahydroxyflavanone, 6',7,8-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040988	2',5,6,6',7-Pentahydroxyflavanone; 6,6',7-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040989	2,2'-(Oxydimethylene)bis[6-hydroxy-3,5-dimethyl-p-benzoquinone] 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040990	2,3,8,9,10-Pentahydroxypterocarpan; 3,9,10-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040991	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, Di-Ac 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040992	3',4',5,5',7-Pentahydroxyflavanone, 3',4',7-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040993	3',4',5,5',7-Pentahydroxyflavanone, 3',5',7-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040994	3',4',5,6,7-Pentahydroxyflavanone, 3',5,7-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040995	3',4',5,6,7-Pentahydroxyflavanone, 4',6,7-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040996	3',4',5,6,7-Pentahydroxyflavanone, 5,6,7-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040997	3',4',5,7,8-Pentahydroxyflavanone, 4',7,8-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040998	3'-Methylevernic acid 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ040999	3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 3',6-Di-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041000	3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 4',6-Di-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041001	3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-4-chromanone; 4',8-Di-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041002	4',5,6,7,8-Pentahydroxyflavanone, 4',7,8-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041003	4',5,6,7,8-Pentahydroxyflavanone, 6,7,8-Tri-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041004	5,6,7,8-Tetrahydroxy-3-(4-hydroxybenzyl)-4-chromanone, 6,7-Di-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041005	6-Methoxy-3',4'-dehydromurranganon; O-Ac 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041006	Adzharin 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041007	Amorphaquinone 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041008	Aviprin, 2'-Ac 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041009	Aviprin, 3'-Ac 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041010	Barbatic acid; O-De-Me 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041011	Calefolione; 2'-O-Angeloyl 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041012	Elaeocyanidin; O-De-Me 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041013	Frenolicin 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041014	Khellactone, Di-Ac 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041015	Kushecarpin C; Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041016	Laurentiquinone 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041017	Lecanoric acid; 2,4-Di-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041018	Obtusatic acid 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041019	Phomosine A 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041020	Podolactone E; 7?,8?-Epoxide 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041021	Salignone A 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041022	Senepoxide 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041023	Stigmahamone II 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041024	Vaginidiol; Di-O-Ac 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MJ041025	Ventiloquinone M; Di-Me ether 	C18H18O7	346.105252	NA	MeJP	NA	NA
+MetaCyc03065	reduced-(S)-usnate []	C18H18O7	346.105253	NA	metacyc	NA	NA
+C02747	Reduced-(S)-usnate	C18H18O7	346.1053	NA	KEGG	NA	NA
+C02749	S-Alkyl-L-cysteine	C3H6NO2SR	346.1053	NA	KEGG	NA	NA
+C15591	2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-	C18H18O7	346.1053	NA	KEGG	NA	NA
+C15592	Pyranose	C18H18O7	346.1053	NA	KEGG	NA	NA
+C15593	2-Dehydropyranose	C18H18O7	346.1053	NA	KEGG	NA	NA
+C15594	Pyranoside	C18H18O7	346.1053	NA	KEGG	NA	NA
+C15595	3-Dehydropyranoside	C18H18O7	346.1053	NA	KEGG	NA	NA
+C15596	n-Alkanal	C18H18O7	346.1053	NA	KEGG	NA	NA
+C15597	Alk-2-enal	C18H18O7	346.1053	NA	KEGG	NA	NA
+MJ041026	Almoxatone 	C18H19ClN2O3	346.10842	NA	MeJP	NA	NA
+MJ041027	5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-imidazo[4,5-b]pyridine; S-Oxide, (±) 	C16H18N4O3S	346.109961	NA	MeJP	NA	NA
+MJ041028	1-[2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-2H-1-benzopyran-4-yl]-2-pyrrolidinone 	C17H18N2O6	346.116486	NA	MeJP	NA	NA
+MJ041029	Miraxanthin III; 3'-Hydroxy 	C17H18N2O6	346.116486	NA	MeJP	NA	NA
+MJ041030	Nifedipine 	C17H18N2O6	346.116486	NA	MeJP	NA	NA
+C07266	Nifedipine	C17H18N2O6	346.1165	NA	KEGG	NA	NA
+C08557	Miraxanthin-V	C17H18N2O6	346.1165	NA	KEGG	NA	NA
+FL3F29NF0001	Ovalifolin;6-[(3-Methyl-2-butenyl)oxy]-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one	C22H18O4	346.1205	55303-88-3	knapsack	NA	NA
+MJ041031	1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 4-Me ether 	C22H18O4	346.120509	NA	MeJP	NA	NA
+MJ041032	1-Phenyl-1,2-ethanediol, Dibenzoyl 	C22H18O4	346.120509	NA	MeJP	NA	NA
+MJ041033	2-Hydroxy-9-phenyl-1H-phenalen-1-one; 3',4'-Dimethoxy, Me ether 	C22H18O4	346.120509	NA	MeJP	NA	NA
+MJ041034	4,4',5,5'-Tetrahydroxy-1,1'-binaphthyl; 5,5'-Di-Me ether 	C22H18O4	346.120509	NA	MeJP	NA	NA
+MJ041035	Diospyrol 	C22H18O4	346.120509	NA	MeJP	NA	NA
+MJ041036	Ovalifolin 	C22H18O4	346.120509	NA	MeJP	NA	NA
+MJ041037	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-?-D-glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041038	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 4'-Me ether, 3'-O-?-D-glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041039	1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 1-O-?-D-Glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041040	1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 2-O-?-D-Glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041041	1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 3-O-?-D-Glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041042	5-(Hydroxymethyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-?-D-glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041043	Antirrhinoside; 5-Deoxy 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041044	Antirride; 6?-Hydroxy 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041045	Aucubigenin; 1-O-?-D-Glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041046	Aucubigenin; 6-Epimer, 1-O-?-D-glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041047	Capensioside; 10-Carboxylic acid 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041048	Catalpol; 6-Deoxy 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041049	Crescentoside C 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041050	Decaloside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041051	Deutziogenin, 1-O-?-D-Glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041052	Eranthemoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041053	Genistifolin; O-De-Ac 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041054	Isoaucubigenin; 1-O-?-D-Glucopyranoside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041055	Secolinarioside 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041056	Thunaloside; 7-Ketone 	C15H22O9	346.126382	NA	MeJP	NA	NA
+MJ041057	Tomentoside; 7?-Hydroxy 	C15H22O9	346.126382	NA	MeJP	NA	NA
+C09771	Aucubin	C15H22O9	346.1264	NA	KEGG	NA	NA
+C11671	Deutzioside	C15H22O9	346.1264	NA	KEGG	NA	NA
+MJ041058	Chlorproethazine 	C19H23ClN2S	346.127047	NA	MeJP	NA	NA
+MJ041059	Acinetobactin 	C16H18N4O5	346.127719	NA	MeJP	NA	NA
+MJ041060	Flutrimazole 	C22H16F2N2	346.128154	NA	MeJP	NA	NA
+MJ041061	Clithioneine 	C13H22N4O5S	346.13109	NA	MeJP	NA	NA
+PJ000424	PCQ 	C13H22N4O5S	346.1311	NA	PeJP	NA	NA
+MJ041062	Beclobrinic acid, Et ester 	C20H23ClO3	346.133572	NA	MeJP	NA	NA
+MJ041063	Silvathione 	C18H22N2O3S	346.135113	NA	MeJP	NA	NA
+MJ041064	Palythenic acid, 2',3'-Dihydro, 3'-hydroxy 	C14H22N2O8	346.137615	NA	MeJP	NA	NA
+C01699	Gibberellin A3	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09059	Alectrol	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09062	Antheridic acid	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09104	Hallactone A	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09174	Ponalactone A	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09190	Strigol	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09385	Cynaropicrin	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09512	Molephantin	C19H22O6	346.1416	NA	KEGG	NA	NA
+C09547	Saupirin	C19H22O6	346.1416	NA	KEGG	NA	NA
+C11855	Gibberellin A29-catabolite	C19H22O6	346.1416	NA	KEGG	NA	NA
+C11856	Gibberellin A6	C19H22O6	346.1416	NA	KEGG	NA	NA
+C11869	Gibberellin A34-catabolite	C19H22O6	346.1416	NA	KEGG	NA	NA
+HMDB03559	Gibberellin A3	C19H22O6	346.14163	http://www.hmdb.ca/metabolites/HMDB03559	HMDB	NA	NA
+FL1DG9NS0002	Dihydrokanakugiol	C19H22O6	346.14163	117842-21-4	knapsack	NA	NA
+FL6DBBNM0001	3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan	C19H22O6	346.14163	74761-25-4	knapsack	NA	NA
+HMDB03559	Gibberellin A3	C19H22O6	346.14163	HMDB03559	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03559	Gibberellin A3	C19H22O6	346.141632	NA	HMDB2010	NA	NA
+MJ041065	1,2-Bis(3,4,5-trihydroxyphenyl)ethane; 3,4-Methylene, 3',4',5,5'-tetra-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041066	1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041067	1-(2,3,4,5,6-Pentahydroxyphenyl)-3-phenyl-1-propanone; 2',3',4',5'-Tetra-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041068	15,16-Epoxy-2-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,6-diolide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041069	15,16-Epoxy-6-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,2-diolide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041070	19-Nor-2-oxo-3,13-clerodadiene-15,16:20,12-diolide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041071	19-Nor-2-oxo-3,13-clerodadiene-16,15:20,12-diolide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041072	2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041073	2,3-Dihydro-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-propanol, 3'-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041074	2,3-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-(methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041075	2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 14-Aldehyde, 15-(methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041076	2,5-Epoxy-2,8-dihydroxy-1(10),3,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041077	2,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-Hydroxymethylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041078	2-(3-Methyl-2-oxiranyl)-1,4-benzenediol; 1-O-(2,3-Epoxy-2-methylbutanoyl), 4-angeloyl 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041079	3',4',5',7,8-Pentahydroxyflavan, 3',4',5',7-Tetra-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041080	3',4',5',7,8-Pentahydroxyflavan, 3',4',7,8-Tetra-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041081	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041082	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 5-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041083	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041084	3,10-Epoxy-8-hydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 2-Methylpropenoyl 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041085	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041086	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3'-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041087	3,4,4',5,7-Pentahydroxy-6,8-dimethylflavan, 4',5-Di-Me ether 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041088	3,6-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 6-(3-Hydroxy-2-methylenepropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041089	3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041090	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-Hydroxymethylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041091	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-(2-Hydroxymethylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041092	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041093	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041094	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, Di-Ac 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041095	4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041096	5,8-Dihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041097	5,8-Dihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041098	5,8-Dihydroxy-2-oxo-1(10),3,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041099	5-Acetyl-2,3-dihydro-3,6,7-trihydroxy-2-isopropenylbenzofuran, 7-Me ether, 3-O-angeloyl 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041100	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-(2-hydroxymethyl-2-butenoyl)(Z-) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041101	6,10-Dihydroxy-2-furanoeremophilene-1,9-dione, 6-(2-Methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041102	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041103	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 9-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041104	6-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, O-(2-Hydroxymethylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041105	7-(1-Hydroxyethyl)-6-methoxy-3-isopropylidene-1,4-benzodioxin-2(3H)-one; Angeloyl 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041106	8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide, 8,13-Di-Ac 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041107	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 15-aldehyde, 8-(2-hydroxymethylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041108	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041109	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041110	8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-(Methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041111	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-2-propenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041112	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 2'-O-(3-Methyl-2-butenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041113	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 11?,13-Dihydro, 8-(2-methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041114	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(2-methylpropenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041115	8-Hydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041116	Alectrol 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041117	Antheridic acid 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041118	Asadanin; 10-Alcohol 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041119	Betulatetraol 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041120	Ceanofendlin 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041121	Clausenidinaric acid 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041122	Eremantholide C 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041123	Eurycomalactone; 5,6-Didehydro 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041124	Gibberellenic acid 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041125	Gibberellin A3 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041126	Gibberellin A5; 18-Hydroxy 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041127	Gibberellin A5; 1?-Hydroxy 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041128	Gibberellin A5; 2?,3?-Epoxide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041129	Gibberellin A7; 11?-Hydroxy 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041130	Gibberellin A7; 12?-Hydroxy 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041131	Gibberellin A7; 15?-Hydroxy 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041132	Gibberellin A9; 1?-Hydroxy, 2?,3?-epoxide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041133	Hallactone A 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041134	Humirianthenolide C 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041135	Khellactone, 9-O-(3-Methylbutanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041136	Khellactone, 10-O-(2-Methylbutanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041137	Khellactone, 10-O-(3-Methylbutanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041138	Khellactone, 9-O-(3-Methylbutanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041139	Nagilactone A; 2,3-Didehydro 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041140	Nagilactone C; 3-Deoxy 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041141	Orobanchol 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041142	Peucedanol, 2'-O-(3-Methyl-2-butenoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041143	Podolide; 2?,3?-Epoxide 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041144	Ponalactone A 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041145	Salignone H 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041146	Strigol 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041147	Vaginidiol; 3'O-(3-Methylbutanoyl) 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MJ041148	Zearalenone, 5-Formyl 	C19H22O6	346.141638	NA	MeJP	NA	NA
+MetaCyc03066	GA3 [gibberellic acid;gibberellin A3;gibberellin;gibberellin A3;]	C19H22O6	346.141638	NA	metacyc	NA	NA
+MetaCyc03067	GA34-catabolite [gibberellin A34-catabolite;gibberellin A34-catabolite;GA34-catabolite;]	C19H22O6	346.141638	NA	metacyc	NA	NA
+MetaCyc03068	GA29-catabolite [gibberellin A29-catabolite;gibberellin A29-catabolite;GA29-catabolite;]	C19H22O6	346.141638	NA	metacyc	NA	NA
+MJ041149	Lepidine E 	C20H18N4O2	346.142975	NA	MeJP	NA	NA
+MJ041150	Lepidine F 	C20H18N4O2	346.142975	NA	MeJP	NA	NA
+MJ041151	Lepidine; 8-Demethoxy, 10-hydroxy 	C20H18N4O2	346.142975	NA	MeJP	NA	NA
+MJ041152	Lepidine; O-De-Me 	C20H18N4O2	346.142975	NA	MeJP	NA	NA
+MJ041153	Traboxopine 	C19H23ClN2O2	346.144805	NA	MeJP	NA	NA
+PJ000425	AQE 	C13H22N4O7	346.1489	NA	PeJP	NA	NA
+3164	laminin-like peptide	RGD	346.1489	celiac toxic	Inhouse_peptide	NA	peptide
+MJ041154	Cytosporin B 	C17H27ClO5	346.154701	NA	MeJP	NA	NA
+PJ000426	GDR 	C12H22N6O6	346.1601	NA	PeJP	NA	NA
+MJ041155	2,6-Dimethyl-2,6-octadiene-1,8-diol, 1-Carboxylic acid, ?-D-glucopyranosyl ester 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041156	3,4-Bis(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one; 1'-O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041157	3,4-Dihydroxy-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde; 3-O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041158	3-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid; O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041159	4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-carboxylic acid; ?-D-Glucopyranosyl ester 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041160	4-Hydroxy-2,6,6-trimethyl-1-cyclohexenecarboxylic acid; O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041161	6,9-Dihydroxyfenchone, 6-O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041162	8,10-Dihydroxyfenchone, 10-O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041163	8-Hydroxy-p-menth-1-en-7-oic acid, ?-D-Glucopyranos-1-yl ester 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041164	8-Hydroxy-p-menth-1-en-7-oic acid, ?-D-Glucopyranos-6-yl ester 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041165	9,10-Dihydroxyfenchone, 10-O-?-D-Glucopyranoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041166	Decapetaloside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041167	Lamiol; 5,8-Dideoxy 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041168	Nepetaside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+MJ041169	Villoside 	C16H26O8	346.162767	NA	MeJP	NA	NA
+3348	ACE inhibitor	IWHHT	346.163	MH2+	Inhouse_peptide	NA	peptide
+PJ000427	AAW 	C17H22N4O4	346.1641	NA	PeJP	NA	NA
+MJ041170	N-[[3-[4-(Aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]-?-alanine, Et ester 	C17H22N4O4	346.164105	NA	MeJP	NA	NA
+PJ000428	PCK 	C14H26N4O4S	346.1675	NA	PeJP	NA	NA
+MJ041171	2,2-Di-1H-indol-3-yl-4-methylpentanoic acid 	C22H22N2O2	346.168127	NA	MeJP	NA	NA
+MJ041172	Cinnopentazone 	C22H22N2O2	346.168127	NA	MeJP	NA	NA
+MJ041173	Roxoperone 	C19H23FN2O3	346.16927	NA	MeJP	NA	NA
+8130	peptide derived from dried bonito	EAK	346.173	anticancer	Inhouse_peptide	NA	peptide
+C17970	Spenolimycin	C15H26N2O7	346.174	NA	KEGG	NA	NA
+MJ041174	Spenolimycin 	C15H26N2O7	346.174001	NA	MeJP	NA	NA
+C09509	Microhelenin C	C20H26O5	346.178	NA	KEGG	NA	NA
+C09518	Nobilin	C20H26O5	346.178	NA	KEGG	NA	NA
+C11861	Gibberellin A24	C20H26O5	346.178	NA	KEGG	NA	NA
+C12308	Gibberellin A44	C20H26O5	346.178	NA	KEGG	NA	NA
+C12309	Esmeraldin A	C30H21N4O5R	346.178	NA	KEGG	NA	NA
+C14161	Gibberellin A37	C20H26O5	346.178	NA	KEGG	NA	NA
+MJ041175	1,10-Epoxy-6-hydroxy-3,11(13)-germacradien-12,8-olide, Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041176	1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041177	1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041178	1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041179	1,10-Epoxy-6-hydroxy-4,11(13)-germacradien-12,8-olide, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041180	1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041181	1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041182	1,10-Epoxyfuranoeremophilan-6-ol, O-(4-Hydroxy-2-methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041183	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041184	1,10-Epoxyfuranoeremophilane-3,6-diol, 3-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041185	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041186	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041187	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041188	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041189	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041190	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041191	1,12-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041192	1,13-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041193	1,20-Epoxy-1,3(20),6,10,14-phytapentaene-18,19-dioic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041194	1,3,13-Clerodatrien-15,16-olid-18-oic acid; 5?-form, 16-Oxo, 15?-alcohol (lactol) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041195	1,3,13-Clerodatrien-15,16-olid-18-oic acid; 5?-form, 16?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041196	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-(3-Methylbutenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041197	1,6-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 6-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041198	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041199	1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041200	1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041201	1,6-Dihydroxyfuranoeremophilan-9-one, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041202	1,6-Dihydroxyfuranoeremophilan-9-one, 6-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041203	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041204	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041205	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041206	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041207	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041208	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041209	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041210	1,9-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041211	1-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041212	1-Hydroxy-8,15(17)-abietadien-16,11-olid-19-oic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041213	10-Hydroxy-2-oxo-8-daucen-12,5-olide, 10-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041214	11,12,14-Trihydroxy-8,11,13-abietatriene-3,7-dione 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041215	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041216	11,12,16-Trihydroxy-8,11,13-abietatrien-20,7-olide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041217	11,12-Epoxy-8-hydroxy-13-oxo-3,6,15(17)-cembratrien-16,2-olide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041218	11,14,16-Trihydroxy-7,9(11),13-abietatriene-6,12-dione 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041219	11,15,19-Trihydroxy-3,12-cyathadien-14-one; 11?-form, 19-Carboxylic acid, 15-aldehyde 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041220	12-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041221	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-Aldehyde, 15-(2-methylbutanoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041222	14,15-Epoxy-14-hydroxy-5(15)-isocedren-12,4-olide, 2-Methylbutanoyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041223	14,15-Epoxy-14-hydroxy-5(15)-isocedren-12,4-olide, 3-Methylbutanoyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041224	14-Hydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 1?,10?-Epoxide, O-angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041225	15,16-Epoxy-1,7-dihydroxy-3,13(16),14-clerodatrien-18,19-olide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041226	15,16-Epoxy-6,19-dihydroxy-8(17),13(16),14-labdatriene-3,12-dione 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041227	15,16-Epoxy-6,7,9-trihydroxy-13(16),14-labdadien-19-oic acid, 7-Ketone, 19?6 lactone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041228	15,16-Epoxy-6,9-dihydroxy-3-oxo-13(16),14-labdadien-19-oic acid, 19?6 Lactone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041229	17-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041230	2,17,19-Trihydroxy-1,13(16)14-spongiatrien-3-one 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041231	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041232	2,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041233	2,3-Epoxy-1-hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041234	2,4-Dihydroxy-3-cedrene-1,5-dione, 2-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041235	2,5-Dihydroxy-2,5,10-bisabolatriene-1,4-dione; 2-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041236	2,6,7,11-Tetrahydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041237	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041238	2-Bornanol, O-(4-Acetoxy-3-methoxybenzoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041239	2-Hydroxy-11,14-dioxo-8,12-abietadien-19-oic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041240	2-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041241	2-Hydroxy-3,13-clerodadiene-15,16:18,6-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041242	2-Hydroxy-3,13-clerodadiene-16,15:17,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041243	3,11,12-Trihydroxy-8,11,13-abietatriene-6,7-dione 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041244	3,3',4,4',7-Pentahydroxylignan, 3,3'-Di-Me ether 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041245	3,4-Epoxy-1-hydroxy-7(14),10-bisaboladiene-2,8-dione; O-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041246	3,4-Epoxy-2-hydroxy-1(10),11(13)-guaiadien-12,6-olide, (2-Methylbutanoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041247	3,4:15,16-Diepoxy-12-oxo-13(16),14-clerodadien-17-oic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041248	3,4:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadien-20,12-olide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041249	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 3-Ketone, 6-angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041250	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041251	3,8-Dihydroxy-4-rotunden-13,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041252	3-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid, 3-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041253	3-Hydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041254	3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanol, 1-Et, 3',4',6'-tri-Me ether 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041255	4,5-Epoxy-6-hydroxy-1(10),11(13)-germacradien-12,8-olide, Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041256	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041257	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041258	4,6-Dihydroxyfuranoeremophilan-9-one, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041259	4,6-Dihydroxyfuranoeremophilan-9-one, 6-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041260	5,10:15,16-Diepoxy-3-hydroxy-13(16),14-halimadien-20,12-olide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041261	6,7,11-Trihydroxy-15-oxo-16-kauren-19-oic acid, (19?6)-Lactone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041262	6,7,9-Trihydroxy-8(14),15-isopimaradien-20,6-olide, 7-Ketone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041263	6,9-Dihydroxyfuranoeremophilan-1-one, 6-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041264	6,9-Dihydroxyfuranoeremophilan-1-one, 6-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041265	6,9-Dihydroxyfuranoeremophilan-1-one, 6-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041266	6-Hydroxy-2-oxo-3-guaien-12,8-olide, 6-O-(3-methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041267	6-Hydroxy-3,13-clerodadiene-16,15:17,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041268	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 3-Methyl-2-butenoyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041269	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041270	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041271	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041272	6-Hydroxyfuranoeremophilan-9-one, O-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041273	7,11,12-Trihydroxy-6-oxo-8,11,13-abietatrien-20-oic acid; 7?-form, 6-Deoxo, 7-ketone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041274	7,12-Dihydroxy-11,14-dioxo-8,12-abietadien-19-al; 7?-form 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041275	7,12-Dihydroxy-8,12-abietadiene-11,14,20-trione; 7?-form 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041276	7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041277	7-Hydroxy-3,13-clerodadiene-15,16;18,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041278	7-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041279	8,10-Dihydroxy-1,4-guaiadien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041280	8,10-Dihydroxy-1,4-guaiadien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041281	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041282	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041283	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041284	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041285	8,14-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041286	8,14-Epoxy-13(15)-abieten-16,12-olide, 17-Hydroxy, 11?,12?-epoxide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041287	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041288	8,16;16,17-Bisepoxyacritoconfertoic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041289	8,17:15,16-Diepoxy-6,9-dihydroxy-13(16),14-labdadien-19-oic acid, 19?6 Lactone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041290	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041291	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041292	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041293	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041294	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041295	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041296	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, O-(2-methylbutanoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041297	8,9-Dihydroxymontahibisciolide, 8-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041298	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041299	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041300	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041301	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041302	8-Hydroxy-1,3,11(13)-elematrien-12,6-olide, 8-(4-Hydroxy-2-methylbutenoyl) (E-) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041303	8-Hydroxy-1-oxo-4-eudesmen-12,6-olide, Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041304	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylbutanoyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041305	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 3-Methylbutanoyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041306	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 2-Methylbutanoyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041307	8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041308	8-Hydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041309	8-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041310	9,12-Epoxy-3,7,15(17)-cembratrien-16,2-olid-19-oic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041311	9,13:15,16-Diepoxy-12-oxo-14-labden-19,6-olide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041312	9-Hydroxylasiolaenolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041313	Cannabielsoic acid B; 3-Propyl analogue 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041314	Cariocal 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041315	Carnosol; 6?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041316	Carnosolone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041317	Coleon J 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041318	Cyclopampeanone; 7,10-Diepimer, O-tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041319	Enmein; 3-Deoxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041320	FCRR Toxin 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041321	Fujenal; 8-Carboxylic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041322	Furanoeremophil-1(10)-ene-3,4,6-triol, 3-(3-Methyl-2-butenoyl) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041323	Furanoeremophil-1(10)-ene-3,4,6-triol, 3-Angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041324	Furanoeremophil-1(10)-ene-3,6-diol, 6-Propanoyl, 3-Ac 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041325	Furanoeremophil-1(10)-ene-4,6-diol, 1,10-Epoxide, 6-angeloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041326	Gelomulide J 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041327	Gibberellin A15; 12?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041328	Gibberellin A15; 12?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041329	Gibberellin A15; 15?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041330	Gibberellin A15; 3?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041331	Gibberellin A24 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041332	Gibberellin A44 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041333	Gravelliferone; Me ether, 2',3'-dihydro, 2',3'-dihydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041334	Hamigeran A; Debromo 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041335	Helinudiquinone 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041336	Incanpteroniolide; 6-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041337	Lanugone L 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041338	Laxiflorin A 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041339	Longirabdacetal 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041340	Ludongnin A; 11-Deoxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041341	Marmin, 7'-Me ether 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041342	Morinin A; 4'-(3-Methylbutanoyloxy) 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041343	Pallavicinin; 18-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041344	Pampeanone; O-Tigloyl 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041345	Ponicidin; 1-Deoxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041346	Premarrubiin, 3-Oxo 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041347	Pulic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041348	Pyrrhopappolide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041349	Rabdoserrin A 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041350	Rosmanol 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041351	Rubifol 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041352	Secochiliolide aldehyde; 3-Carboxylic acid 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041353	Spongialactone A 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041354	Strictic acid; 13,16-Dihydro, 16-oxo, 14,15-epoxide 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041355	Taiwaniaquinone B 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041356	Teuvincenone G; 3-Deoxy, 17-hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041357	Trichorabdal D; 3-Deoxy, 18-deacetoxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041358	Trichorabdal E; 11-Deoxy, 3-deacetoxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041359	Verimol G 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041360	Wederegiolide; 15?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MJ041361	Wederegiolide; 15?-Hydroxy 	C20H26O5	346.178023	NA	MeJP	NA	NA
+MetaCyc03069	GA44 (closed lactone form) [gibberellin A44 (closed lactone form);gibberellin A44 (closed lactone form);GA44 (closed lactone form);]	C20H26O5	346.178024	NA	metacyc	NA	NA
+MetaCyc03070	GA24 [gibberellin A24;gibberellin A24;GA24;]	C20H26O5	346.178024	NA	metacyc	NA	NA
+MetaCyc03071	GA37 (closed lactone form) [GA37 (closed lactone form);gibberellin A37 (closed lactone form);gibberellin A37 (closed lactone form);]	C20H26O5	346.178024	NA	metacyc	NA	NA
+3783	NA	HCQRPR	346.185	MH2+	Inhouse_peptide	NA	peptide
+PJ000429	SLQ 	C14H26N4O6	346.1852	NA	PeJP	NA	NA
+PJ000430	AKE 	C14H26N4O6	346.1853	NA	PeJP	NA	NA
+MJ041362	Pseudophrynaminol, ar,ar-Dimethoxy, 4'-carboxylic acid, Me ester 	C19H26N2O4	346.189257	NA	MeJP	NA	NA
+C15079	9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione	C21H27FO3	346.1944	NA	KEGG	NA	NA
+C15327	6alpha-Fluoropregn-4-ene-3,11,20-trione	C21H27FO3	346.1944	NA	KEGG	NA	NA
+PJ000431	ATR 	C13H26N6O5	346.1965	NA	PeJP	NA	NA
+MetaCyc03072	3-hydroxytetradecane-1,3,4-tricarboxylate []	C17H30O7	346.199153	NA	metacyc	NA	NA
+C04529	(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate	C17H30O7	346.1992	NA	KEGG	NA	NA
+MJ041363	Roxindole 	C23H26N2O	346.204513	NA	MeJP	NA	NA
+C02140	Corticosterone	C21H30O4	346.2144	NA	KEGG	NA	NA
+C02942	3-Oxo-hydroxysteroid	C21H30O4	346.2144	NA	KEGG	NA	NA
+C05477	21-Hydroxy-5beta-pregnane-3,11,20-trione	C21H30O4	346.2144	NA	KEGG	NA	NA
+C05488	11-Deoxycortisol	C21H30O4	346.2144	NA	KEGG	NA	NA
+C05497	21-Deoxycortisol	C21H30O4	346.2144	NA	KEGG	NA	NA
+C06391	Algestone	C21H30O4	346.2144	NA	KEGG	NA	NA
+C15002	11alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione	C21H30O4	346.2144	NA	KEGG	NA	NA
+C15015	2beta,21-Dihydroxypregn-4-ene-3,20-dione	C21H30O4	346.2144	NA	KEGG	NA	NA
+C15304	3beta,19-Dihydroxyandrost-5-en-17-one 3-acetate	C21H30O4	346.2144	NA	KEGG	NA	NA
+C15363	6beta,11alpha-Dihydroxyprogesterone	C21H30O4	346.2144	NA	KEGG	NA	NA
+C15365	4-Pregnene-16alpha,21-diol-3,20-dione	C21H30O4	346.2144	NA	KEGG	NA	NA
+MJ041364	21-Hydroxy-5beta-pregnane-3,11,20-trione 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041365	11-Deoxycortisol 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041366	21-Deoxycortisol 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041367	Corticosterone 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041368	1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041369	1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-3-methyl-1-butanone 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041370	11,12,14-Trihydroxy-8,11,13-abietatrien-7-one; 12-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041371	11,12-Dihydroxy-8,11,13-abietatrien-18-oic acid; 12-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041372	11,14,19-Trihydroxy-8,11,13-abietatrien-3-one; 14-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041373	11,14,19-Trihydroxy-8,11,13-abietatrien-3-one; ent-form, 14-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041374	11,14-Epoxy-7-hydroxy-4,8(17)-briaradien-18,7-olide, Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041375	11,21-Dihydroxypregn-4-ene-3,20-dione; 11?-form 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041376	11,21-Dihydroxypregn-4-ene-3,20-dione; 11?-form 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041377	12,14,19-Trihydroxy-8,11,13-abietatrien-3-one; 12-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041378	12-Isoprenyl-3-cedrene-14,19-dioic acid; 19-Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041379	13,17-Epoxy-16-hydroxy-9(11)-kauren-19-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041380	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041381	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041382	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatrien-18-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041383	15-Hydroxy-17-nor-5,6-seco-7,9(11)-spongiadien-16,15-olide; 15?-form, Ac 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041384	16,17-Dihydroxypregn-4-ene-3,20-dione 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041385	17,21-Dihydroxypregn-4-ene-3,20-dione 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041386	18(4?3)-Abeo-8-hydroxy-19-oxo-3,15-isopimararadien-18-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041387	2,16-Epoxy-13-hydroxy-1(15),3,7,11-cembratetraen-18-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041388	2,16-Epoxy-13-hydroxy-1(15),3,7,11-cembratetraen-20-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041389	2,16:11,12-Diepoxy-1(15),3,7-cembratrien-19-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041390	2,3,12-Trihydroxypregna-4,7-dien-20-one 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041391	2,3,4-Trimethoxyestra-1,3,5(10)-trien-17-ol 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041392	2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form, 3-Methyl-2-butenoyl, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041393	2-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-propanone; 4-O-(3,7-dimethyl-2E,6E-octadienyl) 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041394	3,11,12-Trihydroxy-8,11,13-abietatrien-7-one, 3-Ketone, 7?-alcohol, 12-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041395	3,4:15,16-Diepoxy-13(16),14-clerodadien-18-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041396	3,7,20-Trihydroxypregn-4-en-15-one, 20-Ketone 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041397	4'-O-Geranylsinapyl alcohol 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041398	4-Deoxyadhumulone 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041399	4-Deoxyhumulone 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041400	4-[2-(3-Cyclohexyl-3-hydroxy-1-propynyl)-3-hydroxybicyclo[4.2.0]oct-7-ylidene]butanoic acid 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041401	6,11,12-Trihydroxy-8,11,13-abietatrien-7-one; 6?-form, 12-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041402	6-Hydroxyfuranoeremophilan-9-one, 3-Methylpentanoyl 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041403	7,12-Dihydroxy-13-cassen-15-yn-17-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041404	7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 12-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041405	7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 7-Me ether 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041406	8(17),13-Labdadien-16,15-olid-19-oic acid; Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041407	8,15-Seco-16-kauren-15,8-olid-20-oic acid; ent-form, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041408	8-Hydroxy-12-oxo-13,15(17)-abietadien-16-oic acid, Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041409	Aspergillodiol 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041410	Cannabitriol 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041411	Dimeroperatic acid; Me ester 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041412	Furanoeremophilane-1,10-diol, 1-(3-Methyl-2-pentenoyl) 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041413	Furanoeremophilane-6,10-diol, 6-(3-Methyl-2-pentenoyl) 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041414	Gingerdiones; [10]Gingerdione, 1',2'-Didehydro 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041415	Printzianic acid; 5?-Methoxy, 10?-hydro 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041416	Rapiculin 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041417	Stapelogenin 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041418	Tricycloalternarene 3a; 1-Hydroxy 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041419	Ulocladol A; 1-Hydroxy 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MJ041420	Vallartanone A 	C21H30O4	346.214409	NA	MeJP	NA	NA
+MetaCyc03073	11-deoxy-cortisol [substance s, reichstein's;11-desoxycortisone;cortexolone;11-desoxycortisol;reichstein's substance S;cortodoxone;]	C21H30O4	346.214409	152-58-9	metacyc	NA	NA
+MetaCyc03074	iso-humulone []	C21H30O4	346.214409	NA	metacyc	NA	NA
+MetaCyc03075	diprenylphlorisovalerophenone [deoxyhumulone;]	C21H30O4	346.214409	NA	metacyc	NA	NA
+MetaCyc03076	corticosterone []	C21H30O4	346.214409	NA	metacyc	NA	NA
+HMDB00015	Cortexolone	C21H30O4	346.214417	NA	HMDB2010	NA	NA
+HMDB01547	Corticosterone	C21H30O4	346.214417	NA	HMDB2010	NA	NA
+HMDB04030	21-Deoxycortisol	C21H30O4	346.214417	NA	HMDB2010	NA	NA
+HMDB06756	21-Hydroxy-5b-pregnane-3,11,20-trione	C21H30O4	346.214417	NA	HMDB2010	NA	NA
+HMDB00015	Cortexolone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB00015	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00015	Cortexolone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB00015	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01547	Corticosterone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB01547	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04030	21-Deoxycortisol	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB04030	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00015	Cortexolone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB00015	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00015	Cortexolone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB00015	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00015	Cortexolone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB00015	HMDB	NA	NA
+HMDB01547	Corticosterone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB01547	HMDB	NA	NA
+HMDB04030	21-Deoxycortisol	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB04030	HMDB	NA	NA
+HMDB06756	 21-Hydroxy-5beta-pregnane-3,11,20-trione	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB06756	HMDB	NA	NA
+HMDB00015	Cortexolone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB00015	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01547	Corticosterone	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB01547	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04030	21-Deoxycortisol	C21H30O4	346.21442	http://www.hmdb.ca/metabolites/HMDB04030	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00015	Cortexolone	C21H30O4	346.21442	HMDB00015	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01547	Corticosterone	C21H30O4	346.21442	HMDB01547	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04030	21-Deoxycortisol	C21H30O4	346.21442	HMDB04030	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06756	 21-Hydroxy-5beta-pregnane-3,11,20-trione	C21H30O4	346.21442	HMDB06756	PFEM_hmdb_metabocards_official	NA	NA
+C09133	(-)-Chimonanthine	C22H26N4	346.2157	NA	KEGG	NA	NA
+C10573	Calycanthine	C22H26N4	346.2157	NA	KEGG	NA	NA
+MJ041421	Bhesine; 1',2'-Dihydro, stereoisomer 	C22H26N4	346.215746	NA	MeJP	NA	NA
+MJ041422	Calycanthine 	C22H26N4	346.215746	NA	MeJP	NA	NA
+MJ041423	Chimonanthine 	C22H26N4	346.215746	NA	MeJP	NA	NA
+PJ000432	SLK 	C15H30N4O5	346.2216	NA	PeJP	NA	NA
+MJ041424	Fortimicin B; 4',5'-Didehydro 	C15H30N4O5	346.22162	NA	MeJP	NA	NA
+MJ041425	Fortimicin KG 	C15H30N4O5	346.22162	NA	MeJP	NA	NA
+C04170	13-(2-Methylcrotonoyl)oxylupanine	C20H30N2O3	346.2256	NA	KEGG	NA	NA
+MJ041426	13-Hydroxylupanine; O-Angeloyl 	C20H30N2O3	346.225642	NA	MeJP	NA	NA
+MJ041427	13-Hydroxylupanine; O-Tigloyl 	C20H30N2O3	346.225642	NA	MeJP	NA	NA
+MJ041428	4-Hydroxylupanine, O-Angeloyl 	C20H30N2O3	346.225642	NA	MeJP	NA	NA
+MJ041429	Morpheridine 	C20H30N2O3	346.225642	NA	MeJP	NA	NA
+MJ041430	Peripentadenine; N-Dehexanoyl, N-butanoyl 	C20H30N2O3	346.225642	NA	MeJP	NA	NA
+MetaCyc03077	13-(2-methylcrotonoyl)oxylupinine [13-(2-Methylcrotonoyl)oxylupanine;]	C20H30N2O3	346.225643	NA	metacyc	NA	NA
+MJ041431	12,13-Epoxy-9,10,18-trihydroxyoctadecanoic acid 	C18H34O6	346.235538	NA	MeJP	NA	NA
+MJ041432	9,10-Dihydroxyoctadecanedioic acid 	C18H34O6	346.235538	NA	MeJP	NA	NA
+MJ041433	1(15),8-Dolastadiene-7,14-diol, 7-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041434	1,3,7,11-Cembratetraen-13-ol, 7R,8R-Epoxide, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041435	1,3,7,11-Cembratetraen-14-ol, 11?,12?-Epoxide, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041436	1,3,7,11-Cembratetraen-14-ol, 7?,8?-Epoxide, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041437	1,3,7,11-Cembratetraen-16-ol, (11R*,12R*)-Epoxide, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041438	1,3,7,11-Cembratetraene-13,14-diol, 14-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041439	1,3-Dolastadiene-9,13-diol; 13-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041440	1,4-Epoxy-7,11,13-cembratrien-20-ol, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041441	1-(2,6-Dihydroxyphenyl)-4-hexadecen-1-one 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041442	10-Hydroxy-7,11,13,16,19-docosapentaenoic acid 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041443	11-Hydroxy-15-kauranone, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041444	12,13-Epoxy-2-cyathen-8-ol, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041445	12-Isocopalene-15,16-dial, 15-Alcohol, 15-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041446	13(15),17-Spatadiene-2,10-diol, 2-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041447	13(15),17-Spatadiene-5,10-diol, 10-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041448	13-Hydroxy-5,8,11,14,17-eicosapentaenoic acid, Et ester 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041449	13-Villanovene-17,18-diol; ent-form, 17-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041450	14,15-Epoxy-1(10),3-pachydictyadien-6-ol, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041451	14,17-Epoxy-8,10,13(15)-lobatrien-18-ol; Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041452	14-Hydroxy-4,7,10,12,16-docosapentaenoic acid 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041453	15-Beyeren-19-ol; ent-form, 15?,16?-Epoxide, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041454	15-Beyerene-14,18-diol, 14-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041455	15-Kaurene-3,17-diol, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041456	15-Kaurene-7,18-diol, 18-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041457	15-Kaurene-7,18-diol, 7-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041458	16-Hydroperoxy-13(17)-mansumbinen-3-ol, 3-Ketone 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041459	16-Hydroxypregnane-3,20-dione, Me ether 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041460	16-Kauren-19-ol; ent-form, 16?,17-Epoxide, 19-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041461	16-Kauren-19-ol; ent-form, 19-Carboxylic acid, (2-hydroxyethyl) ester 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041462	16-Kauren-19-ol; ent-form, O-(Formyloxymethyl) 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041463	16-Kauren-3-ol, 16?,17-Epoxide, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041464	16-Kaurene-11,15-diol, 15-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041465	16-Kaurene-3,11-diol, 11-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041466	16-Kaurene-3,15-diol, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041467	16-Kaurene-3,19-diol, 19-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041468	16-Kaurene-3,19-diol, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041469	16-Kaurene-7,18-diol, 18-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041470	16-Kaurene-7,18-diol, 7-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041471	17,18-Epoxy-8,10,13(15)-lobatrien-14-ol; Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041472	17,19-Kauranediol, 19-Aldehyde, 17-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041473	17-Hydroxyandrostan-3-one, 17-Propanoyl 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041474	18-Hydroxy-1(9),6,13-xenicatrien-19-al; Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041475	2,12-Cyathadien-1-ol, 12?,13?-Epoxide 1-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041476	2-Hydroxy-10(14)-valparolen-3-one, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041477	2-Hydroxy-15-valparolen-3-one, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041478	2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid, 11',12'-Dihydro 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041479	2-Hydroxy-6-(8,11-pentadecadienyl)benzoic acid, 8',9'-Dihydro, ?10'-isomer 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041480	2-Hydroxy-6-pentadecyl-1,4-benzoquinone; 10',11'-Didehydro, Me ether 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041481	3,4-Dihydro-4-hydroxy-5-methyl-3-(11-phenylundecyl)-2(5H)-furanone 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041482	3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041483	3-Hydroxy-2-(1-oxo-12,14-hexadienyl)-2-cyclohexen-1-one 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041484	4,15-Valparadiene-2,3-diol, 2-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041485	4,8,18-Dolabellatriene-3,16-diol, 16-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041486	4,8,18-Dolabellatriene-3,16-diol, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041487	5,15-Rosadiene-3,19-diol; 3?-form, 19-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041488	5,15-Rosadiene-3,19-diol; 3?-form, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041489	6,13-Epoxy-4(18),8-eunicelladien-12-ol, ?3-Isomer, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041490	6,13-Epoxy-4(18),8-eunicelladien-12-ol, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041491	7,12,14-Labdatriene-6,17-diol, 6-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041492	7,13-Labdadiene-15,17-diol, 17-Aldehyde, 15-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041493	7,18-Trachylobanediol, 7-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041494	7-[3-(3-Hydroxy-1-octenyl)bicyclo[2.2.1]hept-5-en-2-yl]-5-heptenoic acid 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041495	8(14),15-Isopimaradiene-1,2-diol, 2-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041496	8(14),15-Isopimaradiene-1,7-diol, 1-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041497	8(14),15-Isopimaradiene-1,7-diol, 7-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041498	8(17),12,14-Labdatriene-2,3-diol, 2-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041499	8(17),12,14-Labdatriene-2,3-diol, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041500	8(17),12,14-Labdatriene-3,19-diol, 19-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041501	8(17),12,14-Labdatriene-3,19-diol, 3-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041502	8(17),12,14-Labdatriene-3,19-diol, 19-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041503	8,11,13-Abietatriene-3,12,14-triol, 12,14-Di-Me ether 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041504	8,11,13-Abietatriene-7,11,12-triol, 7,12-Di-Me ether 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041505	8,13-Labdadiene-7,15-diol, 7-Ketone, 15-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041506	8-Hydroxy-5,9,11,14,17-eicosapentaenoic acid, Et ester 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041507	9,10-Seco-1(10),8,13-labdatrien-15,16-diol, 16-Aldehyde, 15-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041508	9,13-Epoxy-7,14-labdadien-6-ol, Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041509	Antibiotic A 88696F; 4-Deoxy 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041510	Dictyol B; 9-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041511	Dictyol D; 2-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041512	Dictyol G; 13-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041513	Dictyol I; 18-Ac 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041514	Dictyosphaerin 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041515	Penostatin D 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041516	Rhusone 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MJ041517	Volemolide 	C22H34O3	346.250794	NA	MeJP	NA	NA
+MetaCyc03078	10-&beta;-hydroxytaxa-4(20),11-dien-5-&alpha;-yl acetate []	C22H34O3	346.250795	NA	metacyc	NA	NA
+C10794	Ginkgoic acid	C22H34O3	346.2508	NA	KEGG	NA	NA
+C11898	Taxa-4(20),11(12)-dien-5alpha-acetoxy-10beta-ol	C22H34O3	346.2508	NA	KEGG	NA	NA
+C14976	3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one	C22H34O3	346.2508	NA	KEGG	NA	NA
+C17994	Istamycin C0	C16H34N4O4	346.258	NA	KEGG	NA	NA
+MJ041518	Istamycin C; N-De(aminoacetyl) 	C16H34N4O4	346.258005	NA	MeJP	NA	NA
+MJ041519	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-10-methylundecanoyl) 	C21H34N2O2	346.262028	NA	MeJP	NA	NA
+MJ041520	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxydodecanoyl) 	C21H34N2O2	346.262028	NA	MeJP	NA	NA
+MJ041521	Sollasin C 	C21H34N2O2	346.262028	NA	MeJP	NA	NA
+MJ041522	1-Hydroxy-2,5,14-tricosatrien-4-one, Aldehyde 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041523	1-Hydroxy-2,5,16-tricosatrien-4-one, Aldehyde 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041524	1-Hydroxy-2,5,18-tricosatrien-4-one, Aldehyde 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041525	1-Phenyl-1,3-heptadecanedione; 3-Alcohol 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041526	16-Tricosene-2,4-diyne-1,6-diol 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041527	2-(10-Heptadecenyl)-1,4-benzenediol 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041528	2-(8-Heptadecenyl)-1,4-benzenediol 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041529	3-(10-Heptadecenyl)-1,2-benzenediol 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041530	3-(8-Heptadecenyl)-1,2-benzenediol 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041531	3-Heptadecyl-1,2-benzenediol; Didehydro 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041532	4-(8,11-Heptadecadienyl)-1,2-benzenediol, 11,12-Dihydro 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041533	5-Heptadecyl-1,3-benzenediol; 10',11'-Didehydro(Z-) 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041534	5-Heptadecyl-1,3-benzenediol; 12',13'-Didehydro(Z-) 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041535	5-Heptadecyl-1,3-benzenediol; 2',3'-Didehydro(Z-) 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041536	5-Heptadecyl-1,3-benzenediol; 8',9'-Didehydro(Z-) 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041537	7-Isopimarene-15,16-diol, 15,16-O-Isopropylidene 	C23H38O2	346.28718	NA	MeJP	NA	NA
+MJ041538	Rosterolone 	C23H38O2	346.28718	NA	MeJP	NA	NA
+C10802	5-(Heptadec-12-enyl)resorcinol	C23H38O2	346.2872	NA	KEGG	NA	NA
+MJ041539	3,20-Diaminopregn-5-en-18-ol, N20-Me 	C22H38N2O	346.298413	NA	MeJP	NA	NA
+MJ041540	3,20-Diaminopregn-5-en-18-ol, N3-Me 	C22H38N2O	346.298413	NA	MeJP	NA	NA
+MJ041541	Funtessine 	C22H38N2O	346.298413	NA	MeJP	NA	NA
+MJ041542	1,2,3,4-Eicosanetetrol 	C20H42O4	346.308309	NA	MeJP	NA	NA
+MJ041543	3-[(2-Methoxyhexadecyl)oxy]-1,2-propanediol 	C20H42O4	346.308309	NA	MeJP	NA	NA
+MJ041544	Chonemorphine 	C23H42N2	346.334799	NA	MeJP	NA	NA
+MJ041545	Pregnane-3,20-diamine, N3,N20-Di-Me 	C23H42N2	346.334799	NA	MeJP	NA	NA
+MJ041546	Pregnane-3,20-diamine, N3,N3-Di-Me 	C23H42N2	346.334799	NA	MeJP	NA	NA
+MJ041547	1,7,13-Pentacosatriene 	C25H46	346.359951	NA	MeJP	NA	NA
+MJ041548	2,6,10,14-Tetramethyl-7-(3-methyl-4-pentenyl)-5,9-pentadecadiene 	C25H46	346.359951	NA	MeJP	NA	NA
+MJ041549	2,6,14-Trimethyl-10-methylene-9-(3-methyl-4-pentenyl)-6-pentadecene 	C25H46	346.359951	NA	MeJP	NA	NA
+3081	hemorphin-5	YPWTQ	346.6495	MH2+	Inhouse_peptide	NA	peptide
+7627	ACE inhibitor from k-CN (fr, 13-17)	KDERF	346.66595	MH2+	Inhouse_peptide	NA	peptide
+3095	splenin fragment:32-36	RKEVY	346.684	MH2+	Inhouse_peptide	NA	peptide
+MJ041550	4-Hydroxy-3,5-diiodopyridine 	C5H3I2NO	346.8304	NA	MeJP	NA	NA
+MJ041551	Arsthinol 	C11H14AsNO3S2	346.963106	NA	MeJP	NA	NA
+MJ041552	Ethyl glucosinolate 	C9H17NO9S2	347.034472	NA	MeJP	NA	NA
+C08413	Glucolepidiin	C9H17NO9S2	347.0345	NA	KEGG	NA	NA
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR274	Adenosine monophosphate F1	NA	347.062575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00045	Adenosine monophosphate	C10H14N5O7P	347.06308	http://www.hmdb.ca/metabolites/HMDB00045	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00045	Adenosine monophosphate	C10H14N5O7P	347.06308	http://www.hmdb.ca/metabolites/HMDB00045	HMDB	NA	NA
+HMDB01044	2'-Deoxyguanosine 5'-monophosphate	C10H14N5O7P	347.06308	http://www.hmdb.ca/metabolites/HMDB01044	HMDB	NA	NA
+HMDB03540	3'-AMP	C10H14N5O7P	347.06308	http://www.hmdb.ca/metabolites/HMDB03540	HMDB	NA	NA
+HMDB00045	Adenosine monophosphate	C10H14N5O7P	347.06308	http://www.hmdb.ca/metabolites/HMDB00045	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00045	Adenosine monophosphate	C10H14N5O7P	347.06308	HMDB00045	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01044	2'-Deoxyguanosine 5'-monophosphate	C10H14N5O7P	347.06308	HMDB01044	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03540	3'-AMP	C10H14N5O7P	347.06308	HMDB03540	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00045	Adenosine monophosphate	C10H14N5O7P	347.06308	NA	HMDB2010	NA	NA
+HMDB01044	2'-Deoxyguanosine 5'-monophosphate	C10H14N5O7P	347.06308	NA	HMDB2010	NA	NA
+HMDB03540	3'-AMP	C10H14N5O7P	347.06308	NA	HMDB2010	NA	NA
+HMDB11617	Adenosine 2'-phosphate	C10H14N5O7P	347.06308	NA	HMDB2010	NA	NA
+MJ041553	3'-AMP 	C10H14N5O7P	347.063084	NA	MeJP	NA	NA
+MJ041554	AMP 	C10H14N5O7P	347.063084	NA	MeJP	NA	NA
+MJ041555	dGMP 	C10H14N5O7P	347.063084	NA	MeJP	NA	NA
+MJ041556	2'-Adenylic acid 	C10H14N5O7P	347.063084	NA	MeJP	NA	NA
+MJ041557	Adenylic acid 	C10H14N5O7P	347.063084	NA	MeJP	NA	NA
+MetaCyc03079	AMP group []	C10H14N5O7P1	347.063084	NA	metacyc	NA	NA
+MetaCyc03080	AMP [adenosine-5'-phosphate;adenosine-phosphate;5'-AMP;adenosine-monophosphate;adenylic acid;AMP;adenosine 5'-monophosphate;adenylate;5'-adenylic acid;5'-adenosine monophosphate;adenosine 5'-phosphate;]	C10H14N5O7P1	347.063084	61-19-8	metacyc	NA	NA
+MetaCyc03081	dGMP [G;2'-dG-5'-MP;2'-deoxyguanosine 5'-monophosphate;guanine riboside;vernine;2'-deoxyguanosine-5'-phosphate;deoxyguanosine-phosphate;]	C10H14N5O7P1	347.063084	902-04-5	metacyc	NA	NA
+MetaCyc03082	3'-adenosine monophosphate [3'-adenylic acid;3'-AMP;adenosine 3'-phosphate;adenosine-3'-monophosphoric acid;]	C10H14N5O7P1	347.063084	84-21-9	metacyc	NA	NA
+MetaCyc03083	adenosine 2'-monophosphate [2'-adenylic acid;adenosine-2'-monophosphate;AMP 2'-phosphate;]	C10H14N5O7P1	347.063084	NA	metacyc	NA	NA
+EUR060	Adenosine monophosphate	C10H14N5O7P	347.0631	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR060	Adenosine monophosphate	C10H14N5O7P	347.0631	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR060	Adenosine monophosphate	C10H14N5O7P	347.0631	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR060	Adenosine monophosphate	C10H14N5O7P	347.0631	Wishlist	Inhousejuil11	NA	NA
+C00020	AMP	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+C00362	dGMP	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+C00946	Adenosine 2'-phosphate	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+C00948	Collagen type IX	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+C00949	Cytochrome c-552	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+C01367	3'-AMP	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+C04378	7-alpha-D-Ribosyladenine 5'-phosphate	C10H14N5O7P	347.0631	NA	KEGG	NA	NA
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR264	Nicotinamide adenine di nucleotide F4	NA	347.063375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR264	Nicotinamide adenine di nucleotide F4	NA	347.063375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR264	Nicotinamide adenine di nucleotide F4	NA	347.063375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR264	Nicotinamide adénine di nucléotide F4	F4	347.063375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR264	Nicotinamide adenine di nucleotide F4	NA	347.063375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR264	Nicotinamide adenine di nucleotide F4	F4	347.063375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR355	Flavine adenine dinucleotide F5	NA	347.063875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR355	Flavine adenine dinucleotide F5	NA	347.063875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR355	Flavine adenine dinucleotide F5	NA	347.063875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR355	Flavine adénine dinucléotide F5	F5	347.063875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR355	Flavine adenine dinucleotide F5	NA	347.063875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR355	Flavine adenine dinucleotide F5	F5	347.063875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ041558	3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid 	C16H13NO8	347.064116	NA	MeJP	NA	NA
+MJ041559	Nifuralide 	C14H13N5O4S	347.068824	NA	MeJP	NA	NA
+C10993	Flumipropyn	C18H15ClFNO3	347.0724	NA	KEGG	NA	NA
+MJ041560	5-(Carboxymethylaminomethyl)uridine; 2-Thio analogue 	C12H17N3O7S	347.07872	NA	MeJP	NA	NA
+MJ041561	Oxysanguinarine 	C20H13NO5	347.079372	NA	MeJP	NA	NA
+MJ041562	Pancorine 	C20H13NO5	347.079372	NA	MeJP	NA	NA
+MJ041563	Sanguinarine; 12-Hydroxy 	C20H14NO5(+)	347.079372	NA	MeJP	NA	NA
+C12222	Hydroxysanguinarine	C20H13NO5	347.0794	NA	KEGG	NA	NA
+MJ041564	Embramine 	C18H22BrNO	347.088476	NA	MeJP	NA	NA
+MJ041565	Clanobutin 	C18H18ClNO4	347.092435	NA	MeJP	NA	NA
+MJ041566	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(4-Chloro-3-methyl-2?-butenoyl), 4,8-di-Me ether 	C18H18ClNO4	347.092435	NA	MeJP	NA	NA
+MJ041567	Cefalexin 	C16H17N3O4S	347.093976	NA	MeJP	NA	NA
+C06895	Cephalexin	C16H17N3O4S	347.094	NA	KEGG	NA	NA
+MJ041568	Woodinine 	C17H22BrN3	347.09971	NA	MeJP	NA	NA
+CJneg0546	Dimethylguanosine [(M+Cl)]-	C12H17ClN5O5	347.100225	C18rt(min)=4.71 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0546	Dimethylguanosine [(M+Cl)]-	C12H17ClN5O5	347.100225	C18rt(min)=4.71 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ041569	Penicillanic acid; S,S-Dioxide, (2,2-dimethyl-1-oxopropoxy)methyl 	C14H21NO7S	347.103872	NA	MeJP	NA	NA
+MJ041570	Lorapride 	C14H22ClN3O3S	347.107039	NA	MeJP	NA	NA
+PJ000433	PCE 	C13H21N3O6S	347.1151	NA	PeJP	NA	NA
+MJ041571	8-Methylnorchelerythrine 	C21H17NO4	347.115758	NA	MeJP	NA	NA
+MJ041572	Chelerythrine 	C21H18NO4(+)	347.115758	NA	MeJP	NA	NA
+MJ041573	Lahoramine 	C21H18NO4(+)	347.115758	NA	MeJP	NA	NA
+MJ041574	Nitidine 	C21H18NO4(+)	347.115758	NA	MeJP	NA	NA
+3066	thymosin-like peptide	EAE	347.121	celiac toxic	Inhouse_peptide	NA	peptide
+MJ041575	Simmondsin; Di-O-de-Me 	C14H21NO9	347.121631	NA	MeJP	NA	NA
+MJ041576	Euxylophoricine A 	C20H17N3O3	347.126991	NA	MeJP	NA	NA
+MJ041577	Evodiamine, 7?-Carboxy 	C20H17N3O3	347.126991	NA	MeJP	NA	NA
+PJ000434	AEE 	C13H21N3O8	347.1329	NA	PeJP	NA	NA
+MJ041578	Ambelline; 1?,2?-Epoxide 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041579	Crinafoline 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041580	Crinamidine, 6?-Hydroxy, O3-Me 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041581	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 6-O-(2?,3-Dihydroxy-3-methylbutyl), 4,7-di-Me ether 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041582	Furo[2,3-b]quinoline-4,6,7-triol; OH-form, 7-O-(2?,3-Dihydroxy-3-methylbutyl), 4,6-di-Me ether 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041583	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4-O-(2?,3-Dihydroxy-3-methylbutyl), 7,8-di-Me ether 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041584	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2,3-Dihydroxy-3-methylbutyl), 4,8-di-Me ether 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041585	Galwesine; O9-De-Me 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041586	Iprocrolol 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041587	Krigeine 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041588	Lunidonine; 6-Methoxy 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041589	Macranthine; O-Ac 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041590	Ptelecortine; ?3',4'-Isomer, 2'?-hydroxy 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+MJ041591	Pteleoline 	C18H21NO6	347.136887	NA	MeJP	NA	NA
+C08524	Cavinine	C18H21NO6	347.1369	NA	KEGG	NA	NA
+C10670	Evoxine	C18H21NO6	347.1369	NA	KEGG	NA	NA
+C12178	3-Epimacronine	C18H21NO6	347.1369	NA	KEGG	NA	NA
+MJ041592	Nafamostat 	C19H17N5O2	347.138224	NA	MeJP	NA	NA
+MJ041593	Carcainium(1+); Chloride 	C18H22ClN3O2	347.140054	NA	MeJP	NA	NA
+PJ000435	SNQ 	C12H21N5O7	347.1441	NA	PeJP	NA	NA
+MJ041594	Eliprodil 	C20H23ClFNO	347.14522	NA	MeJP	NA	NA
+MJ041595	Tiomergine 	C21H21N3S	347.145618	NA	MeJP	NA	NA
+PJ000436	PTM 	C14H25N3O5S	347.1515	NA	PeJP	NA	NA
+C13759	FPL64176	C22H21NO3	347.1521	NA	KEGG	NA	NA
+MJ041596	2,5-Dimethyl-4-[2-(phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylic acid; Me ester 	C22H21NO3	347.152143	NA	MeJP	NA	NA
+MJ041597	Ancistrocongine 	C22H21NO3	347.152143	NA	MeJP	NA	NA
+MJ041598	2-Ethyl-1,2,3,4-tetrahydro-2-methylisoquinolinium(1+); 4-Methylbenzenesulfonate 	C19H25NO3S	347.155514	NA	MeJP	NA	NA
+MJ041599	5-Amino-1-[5-deoxy-5-[(phenylmethyl)amino]ribofuranosyl]-1H-imidazole-4-carboxamide 	C16H21N5O4	347.159354	NA	MeJP	NA	NA
+MJ041600	10,20-Dehydro[[12,13-dehydroprolyl-2-(1,1-dimethylallyl)tryptophyl]diketopiperazine] 	C21H21N3O2	347.163376	NA	MeJP	NA	NA
+MJ041601	Darenzepine 	C21H21N3O2	347.163376	NA	MeJP	NA	NA
+MJ041602	Isomalindine-16-carboxylate 	C21H21N3O2	347.163376	NA	MeJP	NA	NA
+MJ041603	Naufoline; 16-Methoxycarbonyl, 18,19-dihydro 	C21H21N3O2	347.163376	NA	MeJP	NA	NA
+MJ041604	Phenylalanyltryptophan anhydride, N1-Me 	C21H21N3O2	347.163376	NA	MeJP	NA	NA
+MJ041605	Phenylalanyltryptophan anhydride, N4-Me 	C21H21N3O2	347.163376	NA	MeJP	NA	NA
+MJ041606	Antibiotic TA 243 	C14H25N3O7	347.16925	NA	MeJP	NA	NA
+MJ041607	?-Aminoadipylserylvaline; L-L-D-form 	C14H25N3O7	347.16925	NA	MeJP	NA	NA
+PJ000437	SLE 	C14H25N3O7	347.1693	NA	PeJP	NA	NA
+MJ041608	17-(Cyclopropylmethyl)-4,5-epoxy-6,6-difluoromorphinan-3-ol 	C20H23F2NO2	347.169685	NA	MeJP	NA	NA
+MJ041609	Acanthamolide 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041610	Acanthisonitrile 3 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041611	Delagoenine 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041612	Erythratidine; 11-Hydroxy 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041613	Excentricine; N-Me 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041614	Foliosidine; 2',3'-Isopropylidene 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041615	Lycorenine; Me ether, N-oxide (?-) 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041616	Nerinine 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041617	Ptelefoline; Me ether 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041618	Sinococuline; N-Me 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+MJ041619	Tazettine, 1,2-Dihydro, Me ether 	C19H25NO5	347.173272	NA	MeJP	NA	NA
+C12262	4,4-Disubstituted cyclohexenone	C19H25NO5	347.1733	NA	KEGG	NA	NA
+PJ000438	SNK 	C13H25N5O6	347.1805	NA	PeJP	NA	NA
+MJ041620	Molracetam 	C18H25N3O4	347.184506	NA	MeJP	NA	NA
+MJ041621	Fluotracen 	C21H24F3N	347.186084	NA	MeJP	NA	NA
+PJ000439	VVM 	C15H29N3O4S	347.1879	NA	PeJP	NA	NA
+MJ041622	Currayangine, 2'-Hydroxy 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041623	Currayangine, 7-Hydroxy 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041624	Currayanine; 11-Hydroxy 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041625	Mahanimbicine, 7-Hydroxy 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041626	Mahanimbine, ?4'-Isomer, 3'-hydroxy 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041627	Mahanine 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041628	Mukoenine B 	C23H25NO2	347.188529	NA	MeJP	NA	NA
+MJ041629	Phenylalaninylarginal; N2-Ac 	C17H25N5O3	347.195739	NA	MeJP	NA	NA
+MJ041630	Thiolstatin; Thiolstatin B 	C17H25N5O3	347.195739	NA	MeJP	NA	NA
+MJ041631	Benzpiperylone 	C22H25N3O	347.199762	NA	MeJP	NA	NA
+MJ041632	Indoramin 	C22H25N3O	347.199762	NA	MeJP	NA	NA
+MJ041633	Consiculine; 2'-Deoxy 	C20H29NO4	347.209658	NA	MeJP	NA	NA
+MJ041634	Fedrilate 	C20H29NO4	347.209658	NA	MeJP	NA	NA
+MJ041635	Liconosine A 	C20H29NO4	347.209658	NA	MeJP	NA	NA
+MJ041636	Lycofoline; Di-Ac 	C20H29NO4	347.209658	NA	MeJP	NA	NA
+MJ041637	Lycopodium Base VII 	C20H29NO4	347.209658	NA	MeJP	NA	NA
+MJ041638	Saussureamine A 	C20H29NO4	347.209658	NA	MeJP	NA	NA
+MJ041639	Dexclamol 	C24H29NO	347.224914	NA	MeJP	NA	NA
+MJ041640	Phenomorphan 	C24H29NO	347.224914	NA	MeJP	NA	NA
+MJ041641	Manzamine C 	C23H29N3	347.236147	NA	MeJP	NA	NA
+MJ041642	4-Amino-3-hydroxybenzoic acid; 7-Z-Tetradecenyl ester 	C21H33NO3	347.246043	NA	MeJP	NA	NA
+MJ041643	Cardiopetaline 	C21H33NO3	347.246043	NA	MeJP	NA	NA
+MJ041644	Dictysine 	C21H33NO3	347.246043	NA	MeJP	NA	NA
+MJ041645	Samandarine; O-Ac 	C21H33NO3	347.246043	NA	MeJP	NA	NA
+MJ041646	Broussonetinine A; 4-Epimer, 10'S-alcohol 	C18H37NO5	347.267173	NA	MeJP	NA	NA
+C11695	Anandamide	C22H37NO2	347.2824	NA	KEGG	NA	NA
+MJ041647	5,8,11,14-Eicosatetraenoic acid, (2-Hydroxyethyl)amide 	C22H37NO2	347.282429	NA	MeJP	NA	NA
+MJ041648	Antibiotic JM 971C; N,N-Di-Me 	C22H37NO2	347.282429	NA	MeJP	NA	NA
+MJ041649	Clavepictine B; O-Ac 	C22H37NO2	347.282429	NA	MeJP	NA	NA
+MetaCyc03084	anandamide [arachidonylethanolamide;AnNH;arachidonoyl-EA;N-arachidonoyl ethanolamine;]	C22H37N1O2	347.282429	94421-68-8	metacyc	NA	NA
+HMDB04080	Anandamide	C22H37NO2	347.28244	http://www.hmdb.ca/metabolites/HMDB04080	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04080	Anandamide	C22H37NO2	347.28244	http://www.hmdb.ca/metabolites/HMDB04080	HMDB	NA	NA
+HMDB04080	Anandamide	C22H37NO2	347.28244	http://www.hmdb.ca/metabolites/HMDB04080	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04080	Anandamide	C22H37NO2	347.28244	HMDB04080	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04080	Anandamide	C22H37NO2	347.28244	NA	HMDB2010	NA	NA
+MJ041650	(2-Hydroxyethyl)tetradecylammonium(1+); Lactate 	C19H41NO4	347.303558	NA	MeJP	NA	NA
+MJ041651	20-Aminopregnan-3-ol, N-Di-Me 	C23H41NO	347.318814	NA	MeJP	NA	NA
+MJ041652	5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Octadecyl-1H-pyrrole-2-carboxaldehyde 	C23H41NO	347.318814	NA	MeJP	NA	NA
+MJ041653	Brachystine 	C23H41NO	347.318814	NA	MeJP	NA	NA
+3509	ACE inhibitor (b-Lg 15-20)	VAGTWY	347.6575	MH2+	Inhouse_peptide	NA	peptide
+4014	f(15-20) of bovine b-lactoglobulin	VAGTWY	347.6575	MH2+	Inhouse_peptide	NA	peptide
+MJ041654	Diiodomethanesulfonic acid 	CH2I2O3S	347.781401	NA	MeJP	NA	NA
+MJ041655	1,1,3-Tribromo-2-heptanone 	C7H11Br3O	347.836002	NA	MeJP	NA	NA
+MJ041656	1,3,3-Tribromo-2-heptanone 	C7H11Br3O	347.836002	NA	MeJP	NA	NA
+MJ041657	2-Bromo-3-(1,1-dibromopentyl)oxirane 	C7H11Br3O	347.836002	NA	MeJP	NA	NA
+C06644	1,1-Dichloro-2-(dihydroxy-4'-chlorophenyl)-2-(4'-	C14H8Cl4O2	347.9278	NA	KEGG	NA	NA
+MJ041658	1,1-Dichloro-2-(dihydroxy-4'-chorophenyl)-2-(4'-chlorophenyl)ethylene 	C14H8Cl4O2	347.92784	NA	MeJP	NA	NA
+MJ041659	Phenazapam 	C15H10BrClN2O	347.966503	NA	MeJP	NA	NA
+MJ041660	2-Chloro-6-(2,6-dichloro-4-hydroxyphenoxy)-1,4-benzenediol; 1,4'-Di-Me ether 	C14H11Cl3O4	347.972291	NA	MeJP	NA	NA
+MJ041661	2-Chloro-6-(2,6-dichloro-4-hydroxyphenoxy)-1,4-benzenediol; 1,4-Di-Me ether 	C14H11Cl3O4	347.972291	NA	MeJP	NA	NA
+MJ041662	2-Chloro-6-(2,6-dichloro-4-hydroxyphenoxy)-1,4-benzenediol; 4,4'-Di-Me ether 	C14H11Cl3O4	347.972291	NA	MeJP	NA	NA
+MJ041663	Azumolene 	C13H9BrN4O3	347.985802	NA	MeJP	NA	NA
+MJ041664	6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid; 3-Chlorophenyl ester 	C17H10Cl2O4	347.995614	NA	MeJP	NA	NA
+MJ041665	Sorivudine 	C11H13BrN2O6	347.995698	NA	MeJP	NA	NA
+CJneg0547	Phenylsulfate/Phenolsulfonic acid [(2M-H)]-	C12H11O8S2	347.997925	C18rt(min)=5.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0547	Phenylsulfate/Phenolsulfonic acid [(2M-H)]-	C12H11O8S2	347.997925	C18rt(min)=5.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ041666	Cloflucarban 	C14H9Cl2F3N2O	348.004402	NA	MeJP	NA	NA
+MJ041667	2,2':5',2''-Terthiophene-5-methanol; 2-Methylpropanoyl 	C17H16O2S3	348.031241	NA	MeJP	NA	NA
+MJ041668	9-Chloro-1-hydroxy-8,10-dimethoxy-3-methyldibenz[b,e]oxepin-6,11-dione 	C17H13ClO6	348.040065	NA	MeJP	NA	NA
+MJ041669	Pannarin; O-De-Me 	C17H13ClO6	348.040065	NA	MeJP	NA	NA
+MJ041670	Cloxazolam 	C17H14Cl2N2O2	348.043233	NA	MeJP	NA	NA
+MetaCyc03085	2-(&alpha;-D-mannosyl)-3-phosphoglycerate []	C9H17O12P1	348.045763	NA	metacyc	NA	NA
+HMDB12152	2-O-(6-Phospho-alpha-mannosyl)-D-glycerate	C9H17O12P	348.045776	NA	HMDB2010	NA	NA
+C11516	2-(alpha-D-Mannosyl)-3-phosphoglycerate	C9H17O12P	348.0458	NA	KEGG	NA	NA
+C16699	2-O-(6-Phospho-alpha-mannosyl)-D-glycerate	C9H17O12P	348.0458	NA	KEGG	NA	NA
+HMDB00175	Inosinic acid	C10H13N4O8P	348.047089	NA	HMDB2010	NA	NA
+HMDB11681	Inosine 2'-phosphate	C10H13N4O8P	348.047089	NA	HMDB2010	NA	NA
+HMDB00175	Inosinic acid	C10H13N4O8P	348.04709	http://www.hmdb.ca/metabolites/HMDB00175	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00175	Inosinic acid	C10H13N4O8P	348.04709	http://www.hmdb.ca/metabolites/HMDB00175	HMDB	NA	NA
+HMDB00175	Inosinic acid	C10H13N4O8P	348.04709	http://www.hmdb.ca/metabolites/HMDB00175	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00175	Inosinic acid	C10H13N4O8P	348.04709	HMDB00175	PFEM_hmdb_metabocards_official	NA	NA
+MJ041671	IMP 	C10H13N4O8P	348.047099	NA	MeJP	NA	NA
+MJ041672	Inosinic acid 	C10H13N4O8P	348.047099	NA	MeJP	NA	NA
+C00130	IMP	C10H13N4O8P	348.0471	NA	KEGG	NA	NA
+MetaCyc03086	inosine-5'-phosphate [5'-IMP;ribosylhypoxanthine monophosphate;IMP;inosinate;inosine monophosphate;inosine 5'-monophosphate;inosine 5'-phosphate;5'-inosinate;5'-inosinic acid;5'-inosine monophosphate;]	C10H13N4O8P1	348.0471	131-99-7	metacyc	NA	NA
+MJ041673	4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; Di-Ac 	C17H16O4S2	348.049	NA	MeJP	NA	NA
+MJ041674	4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; Di-Ac 	C17H16O4S2	348.049	NA	MeJP	NA	NA
+MJ041675	12(11?10)-Abeo-4-bromo-3-chloro-7,8-epoxy-11(13)-chamigren-1-ol 	C15H22BrClO2	348.04917	NA	MeJP	NA	NA
+MJ041676	Caespitenone 	C15H22BrClO2	348.04917	NA	MeJP	NA	NA
+MJ041677	Pinnatazane 	C15H22BrClO2	348.04917	NA	MeJP	NA	NA
+MJ041678	Pinnatifenol 	C15H22BrClO2	348.04917	NA	MeJP	NA	NA
+MJ041679	Pinnatifidone 	C15H22BrClO2	348.04917	NA	MeJP	NA	NA
+MJ041680	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene) ether 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041681	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4':4,5-Bis(methylene) ether 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041682	3,3',4,4'-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; Bis(methylene) ether 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041683	Altertoxin III 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041684	Hortein 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041685	Jusneesiinol; Deoxy, 7,7'-didehydro 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041686	Palmarumycin CP1; 8-Hydroxy, 2?,3?-epoxide 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041687	Stemphyltoxin I; 2-Deoxy, 1,2-didehydro 	C20H12O6	348.063388	NA	MeJP	NA	NA
+MJ041688	Doxefazepam 	C17H14ClFN2O3	348.067698	NA	MeJP	NA	NA
+MJ041689	18-Bromo-17-octadecene-5,7,15-triynoic acid 	C18H21BrO2	348.072492	NA	MeJP	NA	NA
+MJ041690	18-Bromo-7,13,17-octadecatriene-5,15-diynoic acid 	C18H21BrO2	348.072492	NA	MeJP	NA	NA
+MJ041691	Succisulfone 	C16H16N2O5S	348.077992	NA	MeJP	NA	NA
+MJ041692	5(4H)-Isoxazolone; 2H-Oxo-form, N-[6-O-(3-Nitropropanoyl)-?-D-glucopyranosyl] 	C12H16N2O10	348.080494	NA	MeJP	NA	NA
+MJ041693	Flustrabromine 	C17H21BrN2O	348.083725	NA	MeJP	NA	NA
+FL4DAGNM0002	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone	C17H16O8	348.08451	101467-71-4	knapsack	NA	NA
+FL4DAINS0001	Dihydrosyringetin	C17H16O8	348.08451	38690-67-4	knapsack	NA	NA
+FL4DFCNS0001	Dihydrogossypetin 7,8-dimethyl ether	C17H16O8	348.08451	151193-57-6	knapsack	NA	NA
+FL4DFCNS0002	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone	C17H16O8	348.08451	111514-43-3	knapsack	NA	NA
+FL63ACNM0001	Dryopteric acid	C17H16O8	348.08451	126655-10-5	knapsack	NA	NA
+MJ041694	1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5-Tetra-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041695	1,2,3,4,5,7-Hexahydroxyxanthone; 2,4,5,7-Tetra-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041696	1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,4,6-Tetra-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041697	1,2,3,4,6,8-Hexahydroxyxanthone; 2,3,4,6-Tetra-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041698	3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavanone 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041699	3,3',4',5,5',7-Hexahydroxyflavanone, 3',5'-Di-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041700	3,3',4',5,7,8-Hexahydroxyflavanone, 4',8-Di-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041701	3,3',4',5,7,8-Hexahydroxyflavanone, 7,8-Di-Me ether 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041702	3,3',4',5,7-Pentahydroxyflavan-4-acetic acid 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041703	Erythrostominone 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041704	Gunacin 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041705	Osoic acid; 3-Me ether, 1-Me ester 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041706	Osoic acid; 5-Me ether, 1-Me ester 	C17H16O8	348.084517	NA	MeJP	NA	NA
+MJ041707	4-[5'-Methyl-[2,2'-bithiophen]-5-yl]-3-butyne-1,2-diol; 1-O-(3-Methylbutanoyl) 	C18H20O3S2	348.085385	NA	MeJP	NA	NA
+MJ041708	Anguibactin 	C15H16N4O4S	348.089225	NA	MeJP	NA	NA
+MJ041709	L-Aspartyl-L-N2-hydroxyaspartyl-D-cycloserine 	C11H16N4O9	348.091728	NA	MeJP	NA	NA
+MJ041710	Quinotolast 	C17H12N6O3	348.097088	NA	MeJP	NA	NA
+FL3F1CNP0001	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone	C21H16O5	348.09977	64316-98-9	knapsack	NA	NA
+FLIA1CNP0001	Calopogoniumisoflavone B;6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]isoflavone	C21H16O5	348.09977	62502-14-1	knapsack	NA	NA
+FLIE1ANP0005	Tuberostan	C21H16O5	348.09977	97165-25-8	knapsack	NA	NA
+MJ041711	1,10,11-Trihydroxy-8-methyl-5,12-naphthacenedione; 1,10-Di-Me ether 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041712	1,6,10-Trihydroxy-3,9-dimethyl-5,12-naphthacenedione; 10-Me ether 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041713	2-(1,3-Benzodioxol-5-yl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041714	7-(2,4-Dihydroxy-6-methylbenzoyl)-8-hydroxy-2-methylnaphtho[1,8-bc]pyran 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041715	8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione; 1'-Hydroxy, 1-Me ether 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041716	Calopogoniumisoflavone B 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041717	Furanoracemosone 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041718	Gilvocarcin V; Aglycone 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041719	Palmarumycin C5 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041720	Tuberostan 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041721	Xestoquinone; 14-Methoxy 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041722	Xestoquinone; 15-Methoxy 	C21H16O5	348.099773	NA	MeJP	NA	NA
+MJ041723	Stilbericoside 	C14H20O10	348.105646	NA	MeJP	NA	NA
+HMDB01557	Riboflavin reduced	C15H16N4O6	348.10699	http://www.hmdb.ca/metabolites/HMDB01557	HMDB	NA	NA
+HMDB01557	Riboflavin reduced	C15H16N4O6	348.10699	HMDB01557	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01557	Riboflavin reduced	C15H16N4O6	348.106995	NA	HMDB2010	NA	NA
+C08562	Musca-aurin VII	C15H16N4O6	348.107	NA	KEGG	NA	NA
+MJ041724	Flumizole 	C18H15F3N2O2	348.108562	NA	MeJP	NA	NA
+C01897	Camptothecin	C20H16N2O4	348.111	NA	KEGG	NA	NA
+C01898	Cellodextrin	C20H16N2O4	348.111	NA	KEGG	NA	NA
+C01901	Cucurbitacin	C31H43O8R	348.111	NA	KEGG	NA	NA
+MJ041725	Camptothecin 	C20H16N2O4	348.111007	NA	MeJP	NA	NA
+MJ041726	Oliverine 	C20H16N2O4	348.111007	NA	MeJP	NA	NA
+MJ041727	Securidaca longipedunculata Alkaloid A 	C20H16N2O4	348.111007	NA	MeJP	NA	NA
+MJ041728	Antibiotic 593A 	C14H22Cl2N4O2	348.111981	NA	MeJP	NA	NA
+FLIC4LNS0001	Machaerol C;6,8,2'-Trihydroxy-7,3',4'-trimethoxyisoflavan	C18H20O7	348.1209	51798-41-5	knapsack	NA	NA
+MJ041729	2',3',4',6,7,8-Hexahydroxyisoflavan; 3',4',7-Tri-Me ether 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041730	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-Ac 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041731	4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methylbenzaldehyde 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041732	5,6,7,8-Tetrahydro-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)chromone, 4'-Methoxy 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041733	Antibiotic UCF 13 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041734	Byakangelicin, 3'-Me ether 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041735	Elemiferone; 5,8-Dimethoxy 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041736	Glauconic acid 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041737	Nagilactone D; 15?-Hydroxy 	C18H20O7	348.120902	NA	MeJP	NA	NA
+MJ041738	Syringopicrogenin A; 3''-Hydroxy 	C18H20O7	348.120902	NA	MeJP	NA	NA
+C09595	Nitidine	C21H18NO4	348.1236	NA	KEGG	NA	NA
+C12227	Chelerythrine	C21H18NO4	348.1236	NA	KEGG	NA	NA
+MJ041739	5-[5-[2-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methylisoxazole 	C18H21ClN2O3	348.12407	NA	MeJP	NA	NA
+C06489	Compound VII	C18H21ClN2O3	348.1241	NA	KEGG	NA	NA
+MJ041740	Torasemide 	C16H20N4O3S	348.125611	NA	MeJP	NA	NA
+PJ000440	SNE 	C12H20N4O8	348.1281	NA	PeJP	NA	NA
+MJ041741	Arginine, N2-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl] 	C12H20N4O8	348.128113	NA	MeJP	NA	NA
+MJ041742	Neosidomycin 	C17H20N2O6	348.132136	NA	MeJP	NA	NA
+MJ041743	Tryptophan, Na-(4-Carboxy-3-hydroxy-3-methylbutanoyl) 	C17H20N2O6	348.132136	NA	MeJP	NA	NA
+FL3FA9NI0004	trans-Anhydrotephrostachin	C22H20O4	348.13615	80377-44-2	knapsack	NA	NA
+FLID1ANF0004	Erybraedin E	C22H20O4	348.13615	119269-73-7	knapsack	NA	NA
+MJ041744	1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 2-Me ether 	C22H20O4	348.136159	NA	MeJP	NA	NA
+MJ041745	1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 4-Me ether 	C22H20O4	348.136159	NA	MeJP	NA	NA
+MJ041746	3-(4-Hydroxybenzyl)-9,10-dihydro-2,4,7-phenanthrenetriol; 4-Me ether 	C22H20O4	348.136159	NA	MeJP	NA	NA
+MJ041747	Caleprunifolin 	C22H20O4	348.136159	NA	MeJP	NA	NA
+MJ041748	Erybraedin E 	C22H20O4	348.136159	NA	MeJP	NA	NA
+MJ041749	Microphyllone; ?7',8'-Isomer, 9',10'-didehydro 	C22H20O4	348.136159	NA	MeJP	NA	NA
+MJ041750	Tephrostachin, 3''-Deoxy, 3'',4''-didehydro 	C22H20O4	348.136159	NA	MeJP	NA	NA
+C17011	Leonuridine	C15H24O9	348.142	NA	KEGG	NA	NA
+MJ041751	4,5-Dihydroxy-4-(2-hydroxyethyl)-2-cyclohexen-1-one, 5-Me ether, 2'-O-?-D-glucopyranoside 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041752	Ajugol 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041753	Alboside B 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041754	Antirride; 6?-Hydroxy, 8?,10-dihydro 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041755	Deutziol 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041756	Physoside; 6-Deoxy 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041757	Thunaloside 	C15H24O9	348.142032	NA	MeJP	NA	NA
+MJ041758	Porfiromycin 	C16H20N4O5	348.143369	NA	MeJP	NA	NA
+PJ000441	GSW 	C16H20N4O5	348.1434	NA	PeJP	NA	NA
+PJ000442	AQM 	C13H24N4O5S	348.1468	NA	PeJP	NA	NA
+MJ041759	3-p-Anisylidene-6-benzylidene-2,5-piperazinedione, N1,N4-Di-Me 	C21H20N2O3	348.147392	NA	MeJP	NA	NA
+MJ041760	Alstonine 	C21H20N2O3	348.147392	NA	MeJP	NA	NA
+MJ041761	Serpentine 	C21H20N2O3	348.147392	NA	MeJP	NA	NA
+MJ041762	Xanthocillin X; 1'',2''-Dihydro, 3'-methoxy, di-Me ether 	C21H20N2O3	348.147392	NA	MeJP	NA	NA
+C09028	Alstonine	C21H20N2O3	348.1474	NA	KEGG	NA	NA
+C09241	Serpentine	C21H20N2O3	348.1474	NA	KEGG	NA	NA
+MJ041763	Amadinone 	C20H25ClO3	348.149222	NA	MeJP	NA	NA
+MJ041764	Verecynarmin B; 11?-Hydroxy, 13-chloro 	C20H25ClO3	348.149222	NA	MeJP	NA	NA
+MJ041765	Azetirelin 	C15H20N6O4	348.154603	NA	MeJP	NA	NA
+MJ041766	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041767	1,10-Epoxy-4,6-dihydroxyfuranoeremophilan-9-one, 6-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041768	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041769	1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041770	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Ketone, 8-(2-methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041771	1,3-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041772	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041773	1,6,8-Trihydroxy-7(11),9-eremophiladien-12,8-olide, 6-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041774	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 1-Hydroperoxide, 6-(2-methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041775	1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041776	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041777	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-(2-Hydroxymethylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041778	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041779	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2,3-Epoxy-2-methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041780	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Hydroxymethyl-2-propenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041781	15,16-Epoxy-2,6,18-trihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041782	2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 2-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041783	2,3-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041784	2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 15-(Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041785	2,3-Epoxy-2,15-dihydroxy-2,3-seco-3,10(14)-aromadendradien-13-al; 2?-form, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041786	2,6-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041787	2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041788	2-Ethoxy-2a,3,4,5,5a,6,10b,10c-octahydro-5-hydroxy-8-methoxy-5a-methyl-2H-anthra[9,1-bc]furan-7,10-dione 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041789	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041790	3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041791	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 7-Deoxy, 3-Me ether 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041792	3,4,8-Scirpenetriol, 8-Ketone, 4-O-(2Z-butenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041793	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-(2-methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041794	3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Ketone, 8-(2-methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041795	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 8-O-(2-hydroxymethylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041796	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Hydroxy-2-methylpropanoyl)(S-) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041797	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-(3-Hydroxymethyl-2-propenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041798	3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041799	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041800	4,8-Dihydroxy-1-oxo-2,9,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041801	5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide, 11?,12?-Epoxide 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041802	5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide, ?12,13-Isomer, 11?-hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041803	5,8-Epoxy-18-nor-3,6-dioxo-11,15-cembradien-20,10-olide, ?12,13-Isomer, 11?-hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041804	6,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14-(2-Hydroxymethylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041805	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041806	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(2-methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041807	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(2-methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041808	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, O-(2,3-Epoxy-2-methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041809	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, O-(2-Hydroxymethylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041810	7,8-Dihydroxy-1,3,11(13)-elematrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041811	7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(2,3-Dihydroxy-3-methylbutyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041812	8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041813	8,10-Dihydroxy-3-oxo-4,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041814	8,12-Dihydroxy-4-isocedren-15,14-olide; Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041815	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041816	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041817	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(2-methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041818	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041819	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041820	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041821	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(2-hydroxymethyl-2-propenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041822	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041823	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041824	8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11,13-Dihydro, 8-(methylpropenoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041825	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041826	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylpropanoyl) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041827	9,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, Di-Ac 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041828	Anisocoumarin D 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041829	Dissectolide A 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041830	Egelolide; 8-Angeloyl 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041831	Egelolide; 8-Tigloyl 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041832	Eremantholide A 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041833	Eremantholide C; 4?,5-Dihydro 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041834	Eurycomalactone 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041835	Gibberellin 1 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041836	Gibberellin 29 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041837	Gibberellin A1 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041838	Gibberellin A20; 12?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041839	Gibberellin A20; 15?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041840	Gibberellin A20; 2?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041841	Gibberellin A20; 2?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041842	Gibberellin A4; 11?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041843	Gibberellin A4; 2?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041844	Gibberellin A4; 2?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041845	Gibberellin A61; 13-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041846	Gibberellin A61; 2?-Hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041847	Gibberellin A9; 3?,12?-Dihydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041848	Gibberellin A9; 3?,15?-Dihydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041849	Gibberellin A9; 3?,15?-Dihydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041850	Gibberellin C 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041851	Marmin, 2',3'-Dihydro, 5'-oxo 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041852	Mycophenolic acid; Et ester 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041853	Nagilactone A 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041854	Nagilactone F; 2?-Hydroxy, 7?,8?-epoxide 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041855	Nagilactone F; 3?-Hydroxy, 7?,8?-epoxide 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041856	Octandrenolone; 3,4-Dihydro, 3?,4?-dihydroxy, 5-Me ether 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041857	Octandrenolone; 9,10-Dihydro, 9?,10?-dihydroxy, 5-Me ether 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041858	Ovalifolienal 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041859	Podolide; 2,3-Dihydro, 2?-hydroxy 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041860	Praealtin D 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041861	Salignone H; 2,3-Dihydro 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041862	Secoisolariciresinol, O3-De-Me 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041863	Secomacrotolide; 6?-(2-Methylpropenoyloxy) 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MJ041864	?-Reolone 	C19H24O6	348.157288	NA	MeJP	NA	NA
+MetaCyc03087	3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1 (10),2-dien-4-oate [8-[(3a-methyl-3,6-dioxo-2,3a,4,5,7,7a-hexahydro-1H-inden-7-yl)]- 2-hydroxy-5-methyl-6-oxo-octa-2,4-dienoic acid;]	C19H24O6	348.157289	NA	metacyc	NA	NA
+MetaCyc03088	1,2-bis(3,4-dimethoxyphenyl)propane-1,3-diol []	C19H24O6	348.157289	NA	metacyc	NA	NA
+MetaCyc03089	GA1 [gibberellin A1;gibberellin A1;GA1;]	C19H24O6	348.157289	NA	metacyc	NA	NA
+MetaCyc03090	GA34 [gibberellin A34;gibberellin A34;GA34;]	C19H24O6	348.157289	NA	metacyc	NA	NA
+MetaCyc03091	GA29 [gibberellin A29;gibberellin A29;GA29;]	C19H24O6	348.157289	NA	metacyc	NA	NA
+C00859	Gibberellin A1	C19H24O6	348.1573	NA	KEGG	NA	NA
+C04597	1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol	C19H24O6	348.1573	NA	KEGG	NA	NA
+C04598	2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine	C10H22NO7PR	348.1573	NA	KEGG	NA	NA
+C04844	3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate	C19H24O6	348.1573	NA	KEGG	NA	NA
+C04845	N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D-	C39H69N2O18R	348.1573	NA	KEGG	NA	NA
+C06096	Gibberellin A29	C19H24O6	348.1573	NA	KEGG	NA	NA
+C08759	Eurycomalactone	C19H24O6	348.1573	NA	KEGG	NA	NA
+C09356	Chamissonin diacetate	C19H24O6	348.1573	NA	KEGG	NA	NA
+C09407	Eremantholide A	C19H24O6	348.1573	NA	KEGG	NA	NA
+C09520	Onopordopicrin	C19H24O6	348.1573	NA	KEGG	NA	NA
+C09539	Radiatin	C19H24O6	348.1573	NA	KEGG	NA	NA
+C09554	Tagitinin F	C19H24O6	348.1573	NA	KEGG	NA	NA
+C11868	Gibberellin A34	C19H24O6	348.1573	NA	KEGG	NA	NA
+PJ000443	ACR 	C12H24N6O4S	348.158	NA	PeJP	NA	NA
+MJ041865	Zatosetron 	C19H25ClN2O2	348.160455	NA	MeJP	NA	NA
+MJ041866	Disulergine 	C17H24N4O2S	348.161996	NA	MeJP	NA	NA
+MJ041867	Sarizotan 	C22H21FN2O	348.163791	NA	MeJP	NA	NA
+PJ000444	SDK 	C13H24N4O7	348.1645	NA	PeJP	NA	NA
+C10145	Funebrine	C18H24N2O5	348.1685	NA	KEGG	NA	NA
+C11720	Enalaprilate	C18H24N2O5	348.1685	NA	KEGG	NA	NA
+MJ041868	Enalaprilat 	C18H24N2O5	348.168521	NA	MeJP	NA	NA
+MJ041869	Funebrine 	C18H24N2O5	348.168521	NA	MeJP	NA	NA
+MJ041870	Imidocarb 	C19H20N6O	348.169859	NA	MeJP	NA	NA
+C17005	Callytriol C	C23H24O3	348.1725	NA	KEGG	NA	NA
+MJ041871	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2,16-triol 	C23H24O3	348.172544	NA	MeJP	NA	NA
+MJ041872	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2,19-triol 	C23H24O3	348.172544	NA	MeJP	NA	NA
+MJ041873	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 9?-Hydroxy 	C23H24O3	348.172544	NA	MeJP	NA	NA
+PJ000445	SSR 	C12H24N6O6	348.1757	NA	PeJP	NA	NA
+MJ041874	3,6-Di-tert-butyl-1-naphthalenesulfonic acid; Et ester 	C20H28O3S	348.175915	NA	MeJP	NA	NA
+C17638	Schizonepetoside E	C16H28O8	348.1784	NA	KEGG	NA	NA
+MJ041875	1,8-Epoxy-p-menthane-2,4-diol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041876	1,8-Epoxy-p-menthane-2,4-diol, 4-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041877	1,8-Epoxy-p-menthane-2,4-diol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041878	1,8-Epoxy-p-menthane-2,5-diol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041879	1,8-Epoxy-p-menthane-2,6-diol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041880	1,8-Epoxy-p-menthane-2,6-diol, 6-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041881	1,8-Epoxy-p-menthane-2,7-diol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041882	10-Hydroxylinalyl oxide, 7-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041883	2,4,5-Bornanetriol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041884	2,4,7-Thujanetriol, 4-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041885	2,5,7-Fenchanetriol, 2-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041886	8,9-Dihydroxy-p-menthan-3-one; 9-O-?-D-Glucopyranoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041887	Lantanoside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+MJ041888	Nepetariaside 	C16H28O8	348.178417	NA	MeJP	NA	NA
+PJ000446	AKM 	C14H28N4O4S	348.1831	NA	PeJP	NA	NA
+MJ041889	Acrivastine 	C22H24N2O2	348.183778	NA	MeJP	NA	NA
+MJ041890	N-[2-(2-Methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]butanamide 	C22H24N2O2	348.183778	NA	MeJP	NA	NA
+C14676	4-Chloroprogesterone	C21H29ClO2	348.1856	NA	KEGG	NA	NA
+MJ041891	Gibberellin 53 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041892	1,10-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041893	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041894	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041895	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041896	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041897	1,11-Dihydroxy-3-eudesmen-12,6-olide, 11-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041898	1,11-Dihydroxy-4(15)-eudesmen-12,6-olide, 11-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041899	1,13-Dihydroxy-15-oxo-9(11),16-kauradien-19-oic acid, 16?,17-Dihydro 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041900	1,2-Dihydroxy-3,11(13)-eudesmadien-12,8-olide, 1-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041901	1,3-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041902	1,4-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041903	1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041904	1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041905	1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Tigloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041906	10,11-Dihydroxy-3-guaien-12,6-olide, 11-(3-Methyl-2-butenoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041907	10,11-Dihydroxy-3-guaien-12,6-olide, 11-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041908	11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041909	11-Hydroxy-15-nor-14-oxo-12-isocopalen-16-oic acid; 11?-form, 12?,13?-Epoxide, 11-ketone, Me ester 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041910	12,16,17-Trihydroxy-8,11,13-abietatrien-19-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041911	12-Hydroxy-8,12-abietadiene-11,14-dione; 16,17-Dihydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041912	12-Isoprenyl-3-cedrene-14,19-dioic acid; 17,18R-Dihydro, 5-oxo 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041913	13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041914	14,15,16-Trihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041915	14,15-Epoxy-3-cleroden-16,15-olid-18-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041916	15,16,17,19-Tetrahydroxy-3,13-clerodadien-18-oic acid, 17-Aldehyde, 18?19 Lactone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041917	15,16-Epoxy-2,19-dihydroxy-3,13(16),14-clerodatrien-18-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041918	15,16-Epoxy-3,4-dihydroxy-12-oxo-13(16),14-clerodadien-20-al 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041919	15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadien-18,6-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041920	15,16-Epoxy-3,5-dihydroxy-13(16),14-halimadien-20,12-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041921	15,16-Epoxy-6,8,9-trihydroxy-13(16),14-labdadien-19-oic acid, 19?6 Lactone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041922	15-Hydroxy-3,13-clerodadien-16,15-olid-19-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041923	16,18-Dihydroxy-3,13-clerodadien-15,16-olide, 18-Carboxylic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041924	16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Ketone (lactone), 15?-alcohol 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041925	16-Hydroxy-2,6,10,14-phytatetraene-1,19-dioic acid, 16-Aldehyde 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041926	16-Hydroxy-8(17),13-labdadien-15,16-olid-18-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041927	16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid; 16?-form 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041928	17-Hydroxy-2,6,10,14-phytatetraen-1,20-olid-18-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041929	17-Hydroxy-2,6,10,14-phytatetraen-20,1-olid-18-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041930	18,19-Epoxy-19-hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041931	18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041932	2,11,12-Trihydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial 11,6-hemiacetal; 2?-form 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041933	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Tigloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041934	2,5-Dihydroxy-2,5,10-bisabolatriene-1,4-dione; 2-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041935	2,5-Dihydroxy-2,5,10-babolatriene-1,4-dione; 5-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041936	2,6,7,11-Tetrahydroxy-7,9(11),13-abietatrien-12-one 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041937	2,6-Dihydroxy-19-oxo-8,13-labdadien-15,16-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041938	2-Hydroxy-3,13-clerodadiene-15,16:18,6-diolide, 13?,14-Dihydro 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041939	3,10-Dihydroxy-7(11)-eremophilen-12,8-olide, 3-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041940	3,13-Clerodadien-15,16-olid-19-oic acid, 15?-Alcohol, 16-oxo 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041941	3,13-Clerodadien-15,16-olid-19-oic acid, 16?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041942	3,13-Clerodadien-16,15-olid-17-oic acid; ent-form, 15?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041943	3,13-Clerodadien-16,15-olid-18-oic acid, 15-Oxo, 16?-alcohol(lactol) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041944	3,13-Clerodadien-16,15-olid-18-oic acid, 15?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041945	3,13-Clerodadien-16,15-olid-18-oic acid; 5?-form, 17-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041946	3,13-Clerodadiene-15,16,17-triol, 15,17-Dicarboxylic acid, 16-aldehyde 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041947	3,13-Clerodadiene-15,16,17-triol, 16,17-Dicarboxylic acid, 15-aldehyde 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041948	3,19-Dihydroxy-11-oxo-8(17),13-labdadien-15,16-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041949	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 10'-Oxo 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041950	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'-Oxo 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041951	3,4-Dihydroxy-9-guaien-12,8-olide, 3-(2-Methyl-2-butenoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041952	3,4-Epoxy-1-hydroxy-7(14),10-bisaboladiene-2,8-dione; O-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041953	3,4-Epoxy-13,18-dihydroxy-7,11,15(17)-cembratrien-16,14-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041954	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041955	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Tigloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041956	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041957	3,6-Dihydroxy-7-eremophilen-12,8-olide, 3-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041958	3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041959	3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041960	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyl)(E-), 3'-Me ether 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041961	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 4'-O-(7-Hydroperoxy-3,7-dimethyl-2,5-octadienyl)(E,E-), 3'-Me ether 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041962	3-Hydroxy-8-oxo-6,9-eremophiladien-12-oic acid, 3-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041963	4,12-Dihydroxy-9-oxo-5,7,10,14-prostatetraenoic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041964	4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041965	4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041966	4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, tigloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041967	4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide, 3-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041968	4,5-Epoxy-3-hydroxy-1(10),11(13)-germacradien-12,6-olide, 3-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041969	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041970	4,6-Dihydroxyfuranoeremophilan-9-one, 6-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041971	4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041972	4,9,20-Trihydroxy-13,15-seco-1,6-tigliadiene-3,13-dione 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041973	4-Hydroxy-19-oxo-1(9),6,13-xenicatrien-18,17-olide, 6R,7R-Epoxide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041974	5,11-Dihydroxy-1-silphinen-3-one; 5-Propanoyl, 11-Ac 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041975	6,11,12,16-Tetrahydroxy-8,11,13-abietatrien-7-one; 6?-form 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041976	6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041977	6,7,9-Trihydroxy-15-oxo-19-kauranoic acid, 19?6 Lactone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041978	6,7,9-Trihydroxy-8(14),15-isopimaradien-20,6-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041979	6,7-Dihydroxy-17-vouacapanoic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041980	6,7-Epoxy-1(19),10,12-xenicatrien-18,17-olide, 14-Hydroperoxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041981	6,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041982	6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 9-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041983	6,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 9-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041984	6,9-Dihydroxyfuranoeremophilan-1-one, 6-Pentanoyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041985	6-Hydroxy-3,13-clerodadien-15,16-olid-18-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041986	6-Hydroxy-3,13-clerodadien-15,16-olid-19-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041987	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2-Methylbutanoyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041988	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 3-Methylbutanoyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041989	7,11,14,20-Tetrahydroxy-16-kauren-15-one, 11-Ketone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041990	7,11-Epoxy-3,4-dihydroxy-5-eudesmen-8-one, 3-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041991	7,12,14-Trihydroxy-15-oxo-16-kauren-18-al 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041992	7,13-Labdadien-15,16-olid-18-oic acid; 16?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041993	7,13-Labdadien-16,15-olid-18-oic acid; 15?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041994	7,14,18-Trihydroxy-16-kaurene-11,15-dione 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041995	7,14,19-Trihydroxy-16-kaurene-11,15-dione 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041996	7,14,20-Trihydroxy-15-oxo-16-kauren-18-al 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041997	7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041998	7,20-Epoxy-1,7,11-trihydroxy-16-kauren-15-one 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ041999	7,20-Epoxy-1,7,14-trihydroxy-16-kauren-15-one 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042000	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 15-Ketone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042001	7,20-Epoxy-16-kaurene-6,7,14,15-tetrol, 15-Ketone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042002	7,20:11,12-Diepoxy-16-kaurene-6,7,15-triol 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042003	7-Hydroxy-3,13-clerodadiene-15,16;18,19-diolide, 13,14-Dihydro 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042004	7-Oxo-6,7-seco-16-kaurene-6,19-dioic acid; ent-form 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042005	8(17),13-Labdadien-16,15-olid-19-oic acid; 15?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042006	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-(3-methyl-2-butenoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042007	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042008	8,12-Epoxy-6,16-dioxo-13-labden-15-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042009	8,14,17-Trihydroxy-11,13(15)-abietadien-16,12-olide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042010	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042011	8,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-Tigloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042012	8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-17,18-olide, 6?,7?,-Epoxide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042013	8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide; 8?-form, 6,7-Epoxide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042014	8,14-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042015	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042016	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(3-methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042017	8,20-Dihydroxy-14-serrulaten-19-oic acid; 14,15-Dihydro, 14-oxo 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042018	8,9,10-Trihydroxy-3-longipinen-5-one, 10-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042019	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042020	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042021	8,9-Dihydroxymontahibisciolide, 8-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042022	8-Hydroxy-14-oxo-1(10),4-germacradien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042023	8-Hydroxy-4-daucene-3,9-dione, 8-(2,3-Epoxy-3-methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042024	9,10-Epoxy-p-mentha-1,3,5-triene-3,8-diol; Bis(3-methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042025	9,11-Dihydroxy-15-oxo-16-kauren-19-oic acid 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042026	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042027	9-Hydroxy-3-oxo-11(13)-germacren-12,6-olide, Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042028	Amomum peroxide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042029	Angustanoic acid I 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042030	Cascarillin A 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042031	Cohumulone 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042032	Colletruncoic acid; Me ester 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042033	Cyclopampeanone; 7,10-Diepimer, O-(3-methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042034	Cyclopampeanone; O-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042035	Elisapterosin A 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042036	Esquirolin D; 6-Epimer, O-de-Me 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042037	Fruticolide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042038	Fukinolidiol; 1-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042039	Fukinolidiol; 9-Angeloyl 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042040	Furanoeremophil-1(10)-ene-4,6-diol, 1,10-Epoxide, 6-(3-methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042041	Furanoeudesmane-3,4-diol, 3-(2,3-Epoxy-2-methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042042	Gibberellin A12; 12?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042043	Gibberellin A12; 12?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042044	Gibberellin A12; 2?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042045	Gibberellin A12; 3?-Hydroxy 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042046	Gibberellin A53 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042047	Ingenol 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042048	Jaspiferal G 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042049	Lanugone F 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042050	Longirabdolide E 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042051	Macrocalyxoformin D 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042052	Nerifolinol 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042053	Pampeanone; O-(3-Methylbutanoyl) 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042054	Plecostonol 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042055	Premarrubiin, 14,15-Dihydro, 15-oxo 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042056	Rabdosichuanin A; 1-Deacetoxy, 11-epimer 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042057	Salvilimbinol 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042058	Senauricolide 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042059	Trichaurantin 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MJ042060	Trichoaurantianolide C 	C20H28O5	348.193674	NA	MeJP	NA	NA
+MetaCyc03092	cohumulone []	C20H28O5	348.193674	NA	metacyc	NA	NA
+MetaCyc03093	GA15 [gibberellin A15;gibberellin A15;GA15 (open lactone form);gibberellin A15 (open lactone form);]	C20H28O5	348.193674	NA	metacyc	NA	NA
+MetaCyc03094	GA53 [gibberellin A53;gibberellin A53;GA53;]	C20H28O5	348.193674	NA	metacyc	NA	NA
+MetaCyc03095	GA14 [gibberellin A14;gibberellin A14;GA14;]	C20H28O5	348.193674	NA	metacyc	NA	NA
+MetaCyc03096	GA110 [gibberellin A110;gibberellin A110;GA110;]	C20H28O5	348.193674	NA	metacyc	NA	NA
+C06094	Gibberellin A53	C20H28O5	348.1937	NA	KEGG	NA	NA
+C09112	Ingenol	C20H28O5	348.1937	NA	KEGG	NA	NA
+C11858	Gibberellin A14	C20H28O5	348.1937	NA	KEGG	NA	NA
+C11860	Gibberellin A15 open lactone	C20H28O5	348.1937	NA	KEGG	NA	NA
+MJ042061	Intoplicine 	C21H24N4O	348.195011	NA	MeJP	NA	NA
+PJ000447	TTK 	C14H28N4O6	348.2009	NA	PeJP	NA	NA
+MJ042062	Carpindolol 	C19H28N2O4	348.204907	NA	MeJP	NA	NA
+MJ042063	Roxatidine; O-Ac 	C19H28N2O4	348.204907	NA	MeJP	NA	NA
+C15634	Arotinoid acid	C24H28O2	348.2089	NA	KEGG	NA	NA
+MJ042064	2,4-Bis(3-methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol 	C24H28O2	348.20893	NA	MeJP	NA	NA
+MJ042065	2-Methyl-2-(4-methyl-3-pentenyl)-7-(2-phenylethyl)-2H-1-benzopyran-5-ol 	C24H28O2	348.20893	NA	MeJP	NA	NA
+MJ042066	4,6-Bis(3-methyl-2-butenyl)-5-(phenylethenyl)-1,3-benzenediol 	C24H28O2	348.20893	NA	MeJP	NA	NA
+MJ042067	7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)-2H-1-benzopyran 	C24H28O2	348.20893	NA	MeJP	NA	NA
+MJ042068	Amorphastilbol 	C24H28O2	348.20893	NA	MeJP	NA	NA
+MJ042069	Bexarotene 	C24H28O2	348.20893	NA	MeJP	NA	NA
+MJ042070	Perrottetinen 	C24H28O2	348.20893	NA	MeJP	NA	NA
+C15091	9-Fluoro-17beta-hydroxy-6alpha,17-dimethylandrost-4-ene-3,11-dione	C21H29FO3	348.2101	NA	KEGG	NA	NA
+C15098	21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione	C21H29FO3	348.2101	NA	KEGG	NA	NA
+C15312	9alpha-Fluoro-11beta-hydroxy-4-pregnene-3,20-dione	C21H29FO3	348.2101	NA	KEGG	NA	NA
+C15414	6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one acetate	C21H29FO3	348.2101	NA	KEGG	NA	NA
+MJ042071	Leiopyrrole 	C23H28N2O	348.220163	NA	MeJP	NA	NA
+MJ042072	Cylindricine F 	C20H32N2OS	348.223534	NA	MeJP	NA	NA
+MJ042073	11beta,21-Dihydroxy-5beta-pregnane-3,20-dione 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042074	17alpha,21-Dihydroxypregnenolone 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042075	3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042076	1,3,5,10-Farnesatetraene-7,9-diol, 7-Me ether, 10,11-epoxide, 9-angeloyl 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042077	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-pentenoyl) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042078	13,18-Dihydroxy-8(14)-abieten-7-one; 13?-form, 18-Carboxylic acid, 13-Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042079	15,16-Epoxy-15-hydroxy-3-cleroden-18,19-olide, Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042080	15,16-Epoxy-2-hydroxy-1-hydroxymethyl-14-colensen-3,1'-olide 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042081	15-Hydroxy-1(10),13-halimadien-18-oic acid, Formyl 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042082	15-Hydroxy-11-methyl-9-oxo-5,10,13-prostatrienoic acid 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042083	16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid, 16-Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042084	17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 17-Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042085	17,19-Kauranediol, Dicarboxylic acid, 19-Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042086	17-Hydroxy-15,16-isocopalanedioic acid, 15?17 Lactone, Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042087	18,19-Epoxy-18-hydroxy-3-cleroden-15-oic acid, 13,14-Didehydro(E-), Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042088	18-Hydroxy-3-oxo-8(17),13-labdadien-15-oic acid, Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042089	2,19-Epoxy-2,3-dihydroxypregnan-16-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042090	2,3,4-Trihydroxypregn-16-en-20-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042091	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 10',11'-Didehydro(Z-) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042092	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9'-Didehydro(Z-) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042093	3,12,14-Trihydroxypregn-5-en-20-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042094	3,13-Clerodadiene-15,18-diol, Dicarboxylic acid, 15-Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042095	3,14,15-Trihydroxypregn-5-en-20-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042096	3,15,17-Trihydroxypregn-5-en-20-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042097	3,17-Dihydroxypregnane-1,20-dione 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042098	3,21-Dihydroxypregnane-11,20-dione 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042099	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6-Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042100	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Methyl-2-pentenoyl)(E-) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042101	3,4-Epoxy-8-hydroxy-6,11,15(17)-cembratrien-16-oic acid, Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042102	3,7,20-Trihydroxypregn-4-en-15-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042103	3,8,14-Trihydroxypregn-5-en-20-one 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042104	3,8,16-Trihydroxy-1,10(14)-fusicoccadien-13-one, 16-Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042105	4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042106	6,12-Epoxy-1(10),4-germacradiene-8,12-diol, 12-Me ether, 8-angeloyl 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042107	6-(3-Cyclopentyl-3-hydroxy-1-propenyl)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-2-pentalenepentanoic acid 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042108	7,15-Dihydroxypregnane-3,20-dione 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042109	8(17),13-Labdadiene-15,18-diol, 15,18-Dicarboxylic acid, 15-Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042110	8(17),13-Labdadiene-15,19-dioic acid; 13E-form, 15-Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042111	8(17),13-Labdadiene-15,19-dioic acid; 13E-form, 19-Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042112	9,15-Dioxo-5,8(12)-prostadienoic acid, Me ester 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042113	ACTG Toxin A 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042114	Ataprost 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042115	Brassicene C 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042116	Cannabiripsol 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042117	Chatancin 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042118	Cheloviolene D 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042119	Cheloviolene E 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042120	Floridicin; 2-Me ether 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042121	Gingerdiones; [10]Gingerdione 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042122	Glycerol 1-alkanoates; Glycerol 1-(7Z,9Z,12Z-octadecatrien-5-ynoate) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042123	Glycerol 1-alkanoates; Glycerol 1-(9,12,15-octadecatrien-6-ynoate) 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042124	Paradol; [8]Paradol, Ac 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042125	Pregna-5,14-diene-3,17,20,21-tetrol 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042126	Protomycinolide IV 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042127	Schistochilic acid A 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042128	Seconorrlandin B 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042129	Tricycloalternarene 3a; 2,3-Dihydro, 1-hydroxy 	C21H32O4	348.230059	NA	MeJP	NA	NA
+MJ042130	Ulocladol A; 2,3-Dihydro, 1-hydroxy 	C21H32O4	348.230059	NA	MeJP	NA	NA
+HMDB00353	3b,15b,17a-Trihydroxy-pregnenone	C21H32O4	348.23007	http://www.hmdb.ca/metabolites/HMDB00353	HMDB	NA	NA
+HMDB00382	3b,17a,21-Trihydroxypregnenone	C21H32O4	348.23007	http://www.hmdb.ca/metabolites/HMDB00382	HMDB	NA	NA
+HMDB06755	3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione	C21H32O4	348.23007	http://www.hmdb.ca/metabolites/HMDB06755	HMDB	NA	NA
+HMDB06757	11beta,21-Dihydroxy-5beta-pregnane-3,20-dione	C21H32O4	348.23007	http://www.hmdb.ca/metabolites/HMDB06757	HMDB	NA	NA
+HMDB06762	17alpha,21-Dihydroxypreg-nenolone	C21H32O4	348.23007	http://www.hmdb.ca/metabolites/HMDB06762	HMDB	NA	NA
+HMDB00353	3b,15b,17a-Trihydroxy-pregnenone	C21H32O4	348.23007	HMDB00353	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00382	3b,17a,21-Trihydroxypregnenone	C21H32O4	348.23007	HMDB00382	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06755	3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione	C21H32O4	348.23007	HMDB06755	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06757	11beta,21-Dihydroxy-5beta-pregnane-3,20-dione	C21H32O4	348.23007	HMDB06757	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06762	17alpha,21-Dihydroxypreg-nenolone	C21H32O4	348.23007	HMDB06762	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00353	3b,15b,17a-Trihydroxy-pregnenone	C21H32O4	348.230072	NA	HMDB2010	NA	NA
+HMDB00382	3b,17a,21-Trihydroxypregnenone	C21H32O4	348.230072	NA	HMDB2010	NA	NA
+HMDB06755	3a,21-Dihydroxy-5b-pregnane-11,20-dione	C21H32O4	348.230072	NA	HMDB2010	NA	NA
+HMDB06757	11b,21-Dihydroxy-5b-pregnane-3,20-dione	C21H32O4	348.230072	NA	HMDB2010	NA	NA
+HMDB06762	17a,21-Dihydroxypreg-nenolone	C21H32O4	348.230072	NA	HMDB2010	NA	NA
+C05475	11beta,21-Dihydroxy-5beta-pregnane-3,20-dione	C21H32O4	348.2301	NA	KEGG	NA	NA
+C05478	3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione	C21H32O4	348.2301	NA	KEGG	NA	NA
+C05487	17alpha,21-Dihydroxypregnenolone	C21H32O4	348.2301	NA	KEGG	NA	NA
+C14598	3alpha,17alpha-Dihydroxy-5beta-pregnane-11,20-dione	C21H32O4	348.2301	NA	KEGG	NA	NA
+C15685	Protomycinolide IV	C21H32O4	348.2301	NA	KEGG	NA	NA
+MJ042131	Fortimicin B 	C15H32N4O5	348.23727	NA	MeJP	NA	NA
+MJ042132	Fortimicin E 	C15H32N4O5	348.23727	NA	MeJP	NA	NA
+MJ042133	Fortimicin KO1 	C15H32N4O5	348.23727	NA	MeJP	NA	NA
+C17709	Fortimicin B	C15H32N4O5	348.2373	NA	KEGG	NA	NA
+C17976	Fortimicin KH	C15H32N4O5	348.2373	NA	KEGG	NA	NA
+C17977	Fortimicin KR	C15H32N4O5	348.2373	NA	KEGG	NA	NA
+C17978	1-epi-Fortimicin B	C15H32N4O5	348.2373	NA	KEGG	NA	NA
+MJ042134	13-Hydroxylupanine; O-(2-Methylbutanoyl) 	C20H32N2O3	348.241292	NA	MeJP	NA	NA
+MJ042135	13-Hydroxylupanine; O-(3-Methylbutanoyl) 	C20H32N2O3	348.241292	NA	MeJP	NA	NA
+MJ042136	13-Hydroxylupanine; O-Pentanoyl 	C20H32N2O3	348.241292	NA	MeJP	NA	NA
+MJ042137	7-[6-(3-Hydroxy-1-octenyl)-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl]-5-heptenoic acid 	C20H32N2O3	348.241292	NA	MeJP	NA	NA
+MJ042138	Ethyl 4-(2-methoxyphenyl)-1-piperazineheptanoate 	C20H32N2O3	348.241292	NA	MeJP	NA	NA
+MJ042139	2,3,7,13-Tetrahydroxyoctadecanoic acid 	C18H36O6	348.251188	NA	MeJP	NA	NA
+MJ042140	9,10,12,13-Tetrahydroxyoctadecanoic acid 	C18H36O6	348.251188	NA	MeJP	NA	NA
+MJ042141	Protoverbine; 4'-Hydroxy 	C19H32N4O2	348.252526	NA	MeJP	NA	NA
+C10759	Anacardic acid	C22H36O3	348.2664	NA	KEGG	NA	NA
+C14919	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-	C22H36O3	348.2664	NA	KEGG	NA	NA
+MJ042142	1,14-Epoxy-4-dolastanol, Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042143	1,6,10,14-Phytatetraene-3,13-diol, 13-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042144	1-(2,6-Dihydroxyphenyl)-4-hexadecen-1-one; 4',5'-Dihydro 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042145	1-(4-Hydroxyphenyl)-5-hexadecanone; 3'-Hydroxy 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042146	1-Pentadecanol; 4-Hydroxybenzoyl 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042147	10-Hydroxy-7,11,13,16-docosatetraenoic acid 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042148	13(20)-Chromophycene-1,4-diol; 4-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042149	15-Isopimarene-3,8-diol, 3-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042150	15-Isopimarene-6,8-diol, 6-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042151	15-Isopimarene-8,12-diol, 12-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042152	15-Rosene-5,19-diol, 19-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042153	16,17-Kauranediol, 17-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042154	16,17-Stemodanediol; 16?-form, 17-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042155	16,18-Atisanediol, 18-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042156	16,19-Kauranediol, 19-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042157	16,19-Stemodanediol; 16?-form, 19-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042158	16-Hydroperoxy-13(17)-mansumbinen-3-ol 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042159	17(16?15)-Abeo-16-acetyl-16,17-kauranediol 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042160	17,19-Kauranediol, 19-Carboxylic acid, 17-Et ether 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042161	2,11-Verrucosanediol, 11-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042162	2,11-Verrucosanediol, 2-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042163	2,7-Dolabelladiene-10,18-diol, 10-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042164	2,7-Dolabelladiene-10,18-diol, 18-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042165	2,8-Dolabelladiene-4,7-diol, 7-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042166	2,9-Verrucosanediol, 9-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042167	2-Hydroxy-6-pentadecyl-1,4-benzoquinone; Me ether 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042168	2-Hydroxy-6-pentadecylbenzoic acid 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042169	3,14-Clerodadiene-13,18-diol, 13-Epimer, 18-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042170	3,16-Kauranediol, 3-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042171	3,7,11-Cembratrien-15-ol, 7,8-Epoxide, Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042172	3,7-Dolabelladiene-6,12-diol, 6-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042173	3,7-Dolabelladiene-9,12-diol, 9-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042174	3-(4-Hydroxyphenyl)propanoic acid; Tridecyl ester 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042175	3-Hydroxy-2-(1-oxo-10-hexadecenyl)-2-cyclohexen-1-one 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042176	4,8(19)-Xeniaphylladiene-14,15-diol; 14-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042177	7,13-Labdadiene-15,17-diol, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042178	7,13-Labdadiene-15,19-diol, 19-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042179	7,13-Labdadiene-2,15-diol, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042180	7,13-Labdadiene-3,15-diol, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042181	7,13-Labdadiene-3,15-diol, 3-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042182	7,14-Labdadiene-13,17-diol, 17-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042183	7,14-Labdadiene-6,13-diol, 6-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042184	7,16-Seco-7,11-trinervitadiene-3,15-diol, 3-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042185	7-Abietene-14,18-diol, 14-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042186	7-Abietene-14,18-diol, 18-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042187	7-[3-(3-Hydroxy-1-octenyl)bicyclo[3.1.1]hept-2-yl]-5-heptenoic acid 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042188	8(14)-Abietene-2,13-diol, 2-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042189	8(14)-Abietene-7,18-diol, 18-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042190	8(14)-Abietene-7,18-diol, 7-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042191	8(17),12-Labdadiene-15,16-diol, 15,16-Dialdehyde, 15-dimethyl acetal 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042192	8(17),13-Labdadiene-15,19-diol, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042193	8(17),13-Labdadiene-15,19-diol, 19-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042194	8(17),13-Labdadiene-3,15-diol, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042195	8(17),13-Labdadiene-7,15-diol, 7-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042196	8(17),14-Labdadiene-3,13-diol, 3-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042197	8(17),14-Labdadiene-6,13-diol, 6-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042198	8(17)-Labdene-15,19-diol, 19-Aldehyde, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042199	8,10,13(15)-Lobatriene-14,17,18-triol, 14-Deoxy, 17-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042200	8,13-Epoxy-14-labden-12-ol, Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042201	8,13-Epoxy-14-labden-18-ol, Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042202	8,13-Epoxy-14-labden-19-ol, Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042203	8,13-Labdadiene-15,19-diol, 15-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042204	8,13-Labdadiene-6,15-diol, 6-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042205	8-Hydroxy-5,9,11,14-eicosatetraenoic acid, Et ester 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042206	Azorellanol 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042207	Dictyol C; 10-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042208	Dilophol; 3?-Hydroxy, 6-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042209	Plakortone A 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042210	Rottnestol 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042211	?-Dictalediol; 4-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042212	?-Dictalediol; ?12 isomer, 4-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042213	?-Dictalediol; ?12(20) isomer, 4-Ac 	C22H36O3	348.266445	NA	MeJP	NA	NA
+MJ042214	1-Hydroxy-2,5,14-tricosatrien-4-one 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042215	1-Hydroxy-2,5,16-tricosatrien-4-one 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042216	1-Hydroxy-2,5,18-tricosatrien-4-one 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042217	2-(9-Methyldecyl)-5-(4-methylpentyl)-1,3-benzenediol 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042218	3-Heptadecyl-1,2-benzenediol 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042219	4-Heptadecyl-1,2-benzenediol 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042220	5-Heptadecyl-1,3-benzenediol 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042221	8(14)-Abietene-7,18-diol, 7-Propyl ether 	C23H40O2	348.30283	NA	MeJP	NA	NA
+MJ042222	Xestamine C 	C22H40N2O	348.314063	NA	MeJP	NA	NA
+MJ042223	Xestamine E 	C22H40N2O	348.314063	NA	MeJP	NA	NA
+MJ042224	Xestamine D; N1-Me 	C22H41N2O(+)	348.314063	NA	MeJP	NA	NA
+MJ042225	1,16-Pentacosadiene 	C25H48	348.375601	NA	MeJP	NA	NA
+MJ042226	2,6,10,14-Tetramethyl-7-(3-methyl-4-pentenyl)-5-pentadecene 	C25H48	348.375601	NA	MeJP	NA	NA
+MJ042227	3-(3,7-Dimethyloctyl)-2,6,10-trimethyl-1,11-dodecadiene 	C25H48	348.375601	NA	MeJP	NA	NA
+MJ042228	7,11-Pentacosadiene 	C25H48	348.375601	NA	MeJP	NA	NA
+MJ042229	Convolutamydines; Convolutamydine E 	C10H9Br2NO3	348.894918	NA	MeJP	NA	NA
+C11274	Tetrachlorosalicylanilide	C13H7Cl4NO2	348.9231	NA	KEGG	NA	NA
+MJ042230	Chlorpyrifos 	C9H11Cl3NO3PS	348.926283	NA	MeJP	NA	NA
+C14322	Chlorpyrifos	C9H11Cl3NO3PS	348.9263	NA	KEGG	NA	NA
+MJ042231	2-(3,5-Dibromo-4-hydroxyphenyl)ethylamine; Me ether, N,N,N-tri-Me 	C12H18Br2NO(+)	348.967689	NA	MeJP	NA	NA
+MJ042232	Sulopenem 	C12H15NO5S3	349.011234	NA	MeJP	NA	NA
+MJ042233	Nifluridide 	C10H6F7N3O3	349.029738	NA	MeJP	NA	NA
+MJ042234	Varacin A; 5-(Methylthio), N,N-di-Me 	C13H19NO2S4	349.029861	NA	MeJP	NA	NA
+MJ042235	1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate 	C12H16NO9P	349.056267	NA	MeJP	NA	NA
+MJ042236	N-(5-Phospho-D-ribosyl)anthranilate 	C12H16NO9P	349.056267	NA	MeJP	NA	NA
+MetaCyc03097	N-(5'-phosphoribosyl)-anthranilate [N-(5-phospho-D-ribosyl)-anthranilate;N-(5-phospho-&beta;-D-ribosyl)-anthranilate;5-phosphoribosyl-anthranilate;5-P-ribosyl-anthranilate;5'-phosphoribosyl-anthranilate;5'-P-ribosyl-anthranilate;N-(5-phosphoribosyl)-anthranilate;]	C12H16N1O9P1	349.056268	NA	metacyc	NA	NA
+MetaCyc03098	1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate [1-(o-carboxyphenylamino)-1'-deoxyribulose-5'-P;1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-phosphate;1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-P;]	C12H16N1O9P1	349.056268	NA	metacyc	NA	NA
+C01302	1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate	C12H16NO9P	349.0563	NA	KEGG	NA	NA
+C04302	N-(5-Phospho-D-ribosyl)anthranilate	C12H16NO9P	349.0563	NA	KEGG	NA	NA
+C10528	1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate	C12H16NO9P	349.0563	NA	KEGG	NA	NA
+MJ042237	5-(2'-Fluoro[1,1'-biphenyl]-4-yl)thieno[3,2-b]pyridine-7-carboxylic acid 	C20H12FNO2S	349.057277	NA	MeJP	NA	NA
+MJ042238	Cassamedine 	C19H11NO6	349.058637	NA	MeJP	NA	NA
+MJ042239	Hypecoumine 	C19H11NO6	349.058637	NA	MeJP	NA	NA
+MJ042240	Oxoduocine 	C19H11NO6	349.058637	NA	MeJP	NA	NA
+MJ042241	Stephadione 	C19H11NO6	349.058637	NA	MeJP	NA	NA
+C04684	m-Carboxyphenyl phenylacetamidomethylphosphonate	C16H16NO6P	349.0715	NA	KEGG	NA	NA
+MJ042242	?-[(Phosphonomethyl)amino]-3-dibenzofuranpropanoic acid 	C16H16NO6P	349.071523	NA	MeJP	NA	NA
+MJ042243	Naftalofos 	C16H16NO6P	349.071523	NA	MeJP	NA	NA
+MJ042244	Zomepirac; Carboxymethyl ester 	C17H16ClNO5	349.0717	NA	MeJP	NA	NA
+MJ042245	Reticulidin A 	C16H22Cl3NO	349.076697	NA	MeJP	NA	NA
+MJ042246	Salfredin C1; N-(1-Carboxyethyl) 	C16H15NO8	349.079766	NA	MeJP	NA	NA
+MJ042247	Loracarbef 	C16H16ClN3O4	349.082933	NA	MeJP	NA	NA
+C14492	Ulifloxacin	C16H16FN3O3S	349.0896	NA	KEGG	NA	NA
+MJ042248	6-Fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid 	C16H16FN3O3S	349.08964	NA	MeJP	NA	NA
+MetaCyc03099	S-acetylglutathione []	C12H19N3O7S1	349.094371	NA	metacyc	NA	NA
+C14871	S-(Formylmethyl)glutathione	C12H19N3O7S	349.0944	NA	KEGG	NA	NA
+C05247	10-Hydroxydihydrosanguinarine	C20H15NO5	349.095	NA	KEGG	NA	NA
+C05250	[Protein-PII]	C10H10N2O3R2	349.095	NA	KEGG	NA	NA
+C05251	Ubiquinone-0	C10H10N2O3R2	349.095	NA	KEGG	NA	NA
+MJ042249	Dihydrosanguinarine; 12-Hydroxy 	C20H15NO5	349.095022	NA	MeJP	NA	NA
+MJ042250	Dihydrosanguinarine; 8-Hydroxy 	C20H15NO5	349.095022	NA	MeJP	NA	NA
+MJ042251	Oxyterihanine 	C20H15NO5	349.095022	NA	MeJP	NA	NA
+MJ042252	10-Hydroxydihydrosanguinarine 	C20H15NO5	349.095022	NA	MeJP	NA	NA
+MJ042253	Uthongine 	C20H16NO5(+)	349.095022	NA	MeJP	NA	NA
+MetaCyc03100	10-hydroxydihydrosanguinarine []	C20H15N1O5	349.095023	NA	metacyc	NA	NA
+MJ042254	Mefenidramium(1+); Bromide 	C18H24BrNO	349.104127	NA	MeJP	NA	NA
+PJ000448	CNN 	C11H19N5O6S	349.1056	NA	PeJP	NA	NA
+C06574	Ampicillin	C16H19N3O4S	349.1096	NA	KEGG	NA	NA
+C06897	Cephradine	C16H19N3O4S	349.1096	NA	KEGG	NA	NA
+C11749	Penicillin T	C16H19N3O4S	349.1096	NA	KEGG	NA	NA
+MJ042255	6-(4-Aminophenylacetamido)penicillanic acid 	C16H19N3O4S	349.109626	NA	MeJP	NA	NA
+MJ042256	Ampicillin 	C16H19N3O4S	349.109626	NA	MeJP	NA	NA
+MJ042257	Cefradine 	C16H19N3O4S	349.109626	NA	MeJP	NA	NA
+PJ000449	SDE 	C12H19N3O9	349.1121	NA	PeJP	NA	NA
+PJ000450	PCM 	C13H23N3O4S2	349.113	NA	PeJP	NA	NA
+MJ042258	Befloxatone 	C15H18F3NO5	349.113707	NA	MeJP	NA	NA
+C07622	Voriconazole	C16H14F3N5O	349.115	NA	KEGG	NA	NA
+C07623	Transferred to D00579	C16H14F3N5O	349.115	NA	KEGG	NA	NA
+MJ042259	Voriconazole 	C16H14F3N5O	349.115044	NA	MeJP	NA	NA
+MJ042260	Mescaline isocitrimide lactone 	C17H19NO7	349.116151	NA	MeJP	NA	NA
+MJ042261	Azasetron 	C17H20ClN3O3	349.119319	NA	MeJP	NA	NA
+MJ042262	Flufenamic acid; 3-Methyl-2-butenyl ester 	C19H18F3NO2	349.128963	NA	MeJP	NA	NA
+PJ000451	AEM 	C13H23N3O6S	349.1308	NA	PeJP	NA	NA
+C12019	2-(Biaryl)carbapenems	C21H19NO4	349.1314	NA	KEGG	NA	NA
+MJ042263	Cinmetacin 	C21H19NO4	349.131408	NA	MeJP	NA	NA
+MJ042264	Dihydrochelerythrine 	C21H19NO4	349.131408	NA	MeJP	NA	NA
+MJ042265	Dihydronitidine 	C21H19NO4	349.131408	NA	MeJP	NA	NA
+MJ042266	Ochotensidine 	C21H19NO4	349.131408	NA	MeJP	NA	NA
+MJ042267	Oxarbazole 	C21H19NO4	349.131408	NA	MeJP	NA	NA
+MJ042268	Dehydroapocavidine; Me ether 	C21H20NO4(+)	349.131408	NA	MeJP	NA	NA
+MJ042269	Dehydrothalictricavine 	C21H20NO4(+)	349.131408	NA	MeJP	NA	NA
+MJ042270	Fagaronine 	C21H20NO4(+)	349.131408	NA	MeJP	NA	NA
+MJ042271	Punctatine 	C21H20NO4(+)	349.131408	NA	MeJP	NA	NA
+7918	synthetic peptide	GHH	349.137	antioxidative	Inhouse_peptide	NA	peptide
+MJ042272	3,4-Dihydro-4,6,7-trimethyl-3-?-D-ribofuranosyl-9H-imidazo[1,2-a]purin-9-one 	C15H19N5O5	349.138618	NA	MeJP	NA	NA
+C10637	Anisessine	C20H19N3O3	349.1426	NA	KEGG	NA	NA
+C10639	Anisotine	C20H19N3O3	349.1426	NA	KEGG	NA	NA
+MJ042273	Anisessine 	C20H19N3O3	349.142641	NA	MeJP	NA	NA
+MJ042274	Anisotine 	C20H19N3O3	349.142641	NA	MeJP	NA	NA
+PJ000452	TTE 	C13H23N3O8	349.1485	NA	PeJP	NA	NA
+PJ000453	GHH 	C14H19N7O4	349.1499	NA	PeJP	NA	NA
+C10375	Riddelline	C18H23NO6	349.1525	NA	KEGG	NA	NA
+MJ042275	Antibiotic NFAT 68 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042276	Crispine 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042277	Erucifoline 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042278	Jacobine; 13,19-Didehydro 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042279	Preskimmianine; 3',4'-Dihydro, 2'-oxo, 3'-hydroxy 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042280	Seneciphylline; 12-Epimer, 15E-isomer, N-oxide 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042281	Seneciphylline; 13?,19-Epoxide 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042282	Seneciphylline; 15E-Isomer, 13?,19-epoxide 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042283	Seneciphylline; 18-Hydroxy 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042284	Seneciphylline; N-Oxide 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042285	Swazine 	C18H23NO6	349.152537	NA	MeJP	NA	NA
+MJ042286	Pancopride 	C18H24ClN3O2	349.155704	NA	MeJP	NA	NA
+MJ042287	Antibiotic L 681176 	C12H23N5O7	349.159748	NA	MeJP	NA	NA
+MJ042288	Cathestatin B; 4'-Deoxy 	C17H23N3O5	349.16377	NA	MeJP	NA	NA
+PJ000454	APY 	C17H23N3O5	349.1638	NA	PeJP	NA	NA
+PJ000455	SLM 	C14H27N3O5S	349.1672	NA	PeJP	NA	NA
+MJ042289	2-[6-(3,4-Methylenedioxyphenyl)hexyl]-4(1H)-quinolinone 	C22H23NO3	349.167793	NA	MeJP	NA	NA
+MJ042290	Antofine, O6-De-Me 	C22H23NO3	349.167793	NA	MeJP	NA	NA
+MJ042291	Pemedolac 	C22H23NO3	349.167793	NA	MeJP	NA	NA
+MJ042292	Tylophorinine, Deoxy, O6-de-Me 	C22H23NO3	349.167793	NA	MeJP	NA	NA
+PJ000456	PPH 	C16H23N5O4	349.175	NA	PeJP	NA	NA
+MJ042293	Adenosine; 6N-Cyclohexyl 	C16H23N5O4	349.175004	NA	MeJP	NA	NA
+MJ042294	Deoxybrevianamide E; 12,13-Didehydro 	C21H23N3O2	349.179026	NA	MeJP	NA	NA
+MJ042295	Fumitremorgin C; Natural-form, Demethoxy 	C21H23N3O2	349.179026	NA	MeJP	NA	NA
+MJ042296	Prealmazole C 	C21H23N3O2	349.179026	NA	MeJP	NA	NA
+MJ042297	Alancine 	C19H27NO5	349.188922	NA	MeJP	NA	NA
+7823	ACE inhibitor from micro algae	FAL	349.189	antithrombotic	Inhouse_peptide	NA	peptide
+MJ042298	2,6-Dimethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]morpholine 	C20H23N5O	349.19026	NA	MeJP	NA	NA
+MJ042299	Metrazifone 	C20H23N5O	349.19026	NA	MeJP	NA	NA
+PJ000457	ALF 	C18H27N3O4	349.2002	NA	PeJP	NA	NA
+MJ042300	7-(6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl)-5-heptynenitrile 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042301	Azaprophen 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042302	Euchrestine C 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042303	Euchrestine D 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042304	Exozoline; 1'-Hydroxy 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042305	Mahanimbine, 3',4'-Dihydro, 4'-hydroxy 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042306	Murrayamine O 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042307	Pituxate 	C23H27NO2	349.204179	NA	MeJP	NA	NA
+MJ042308	Cetiedil 	C20H31NO2S	349.207549	NA	MeJP	NA	NA
+C13786	Cetiedil	C20H31NO2S	349.2076	NA	KEGG	NA	NA
+MJ042309	Fawcettiine, 8-Epimer, Ac 	C20H31NO4	349.225308	NA	MeJP	NA	NA
+MJ042310	Fawcettiine, Ac 	C20H31NO4	349.225308	NA	MeJP	NA	NA
+MJ042311	Lepadin B; 7'-Oxo, O-(hydroxyacetyl) 	C20H31NO4	349.225308	NA	MeJP	NA	NA
+MJ042312	Lycoclavine; Ac 	C20H31NO4	349.225308	NA	MeJP	NA	NA
+MJ042313	2-Pentadecyl-4(1H)-quinolinone; 6',7',9',10',12',13'-Hexadehydro (all-E) 	C24H31NO	349.240564	NA	MeJP	NA	NA
+MJ042314	4,4-Diphenyl-6-(1-piperidinyl)-3-heptanone 	C24H31NO	349.240564	NA	MeJP	NA	NA
+MJ042315	Abiraterone 	C24H31NO	349.240564	NA	MeJP	NA	NA
+MJ042316	Cylindricine C; Ac 	C21H35NO3	349.261693	NA	MeJP	NA	NA
+MJ042317	Neovasipyridone; N-(2-Methylbutyl) 	C21H35NO3	349.261693	NA	MeJP	NA	NA
+MJ042318	Neovasipyridone; N-(3-Methylbutyl) 	C21H35NO3	349.261693	NA	MeJP	NA	NA
+MJ042319	N-(2-Fluoroethyl)-5,8,11,14-eicosatetraenamide 	C22H36FNO	349.278092	NA	MeJP	NA	NA
+HMDB13625	Dihomo-gamma-Linolenoyl ethanolamide	C22H39NO2	349.298065	NA	HMDB2010	NA	NA
+MJ042320	12-Oxo-2-octadecenoic acid, Pyrrolidide 	C22H39NO2	349.298079	NA	MeJP	NA	NA
+MJ042321	Dictyolucidine 	C22H39NO2	349.298079	NA	MeJP	NA	NA
+C13828	8,11,14-Eicosatrienoylethanolamide	C22H39NO2	349.2981	NA	KEGG	NA	NA
+3639	NA	YPFGFA~	349.6625	MH2+	Inhouse_peptide	NA	peptide
+3420	NA	GVYPHK	349.678	MH2+	Inhouse_peptide	NA	peptide
+8305	Antioxidative peptide	QLGNLGV	349.68945	MH2+	Inhouse_peptide	NA	peptide
+MJ042322	1,2-Dibromo-1,4-dichloro-1-octen-3-one 	C8H10Br2Cl2O	349.847545	NA	MeJP	NA	NA
+MJ042323	2,4-Dibromo-1,1-dichloro-1-octen-3-one 	C8H10Br2Cl2O	349.847545	NA	MeJP	NA	NA
+MJ042324	1,1,1,7,7,7-Hexachloro-2,6-dihydroxy-4-heptanone 	C7H8Cl6O3	349.86046	NA	MeJP	NA	NA
+MJ042325	2-(Bromochloromethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene 	C10H11BrCl4	349.879823	NA	MeJP	NA	NA
+MJ042326	Lotifazole 	C12H9Cl3N2O2S	349.945031	NA	MeJP	NA	NA
+MJ042327	Molokaiamine 	C11H16Br2N2O	349.962938	NA	MeJP	NA	NA
+FL3FAANSS001	Apigenin 7-sulfate	C15H10O8S	350.00963	56857-56-8	knapsack	NA	NA
+MJ042328	3,5,7-Trihydroxyflavone-8-sulfonic acid 	C15H10O8S	350.009637	NA	MeJP	NA	NA
+MJ042329	4',5,7-Trihydroxyflavone; 7-O-Sulfate 	C15H10O8S	350.009637	NA	MeJP	NA	NA
+MJ042330	Chloromonilicin 	C16H11ClO7	350.01933	NA	MeJP	NA	NA
+MJ042331	3,5-Didecanoylpyridine 	C25H4NO2	350.024203	NA	MeJP	NA	NA
+MJ042332	Chloro(triethylphosphine)gold(I) 	C6H15AuClP	350.026541	NA	MeJP	NA	NA
+MJ042333	Palmarumycin CP1; 3-Chloro 	C20H11ClO4	350.034586	NA	MeJP	NA	NA
+MJ042334	Lombricine, N?-Phosphonyl 	C6H16N4O9P2	350.039251	NA	MeJP	NA	NA
+MJ042335	N-Phospholombricine 	C6H16N4O9P2	350.039251	NA	MeJP	NA	NA
+C02855	N-Phospho-D-lombricine	C6H16N4O9P2	350.0393	NA	KEGG	NA	NA
+C14178	N-Phospholombricine	C6H16N4O9P2	350.0393	NA	KEGG	NA	NA
+MJ042336	Sulofenur 	C16H15ClN2O3S	350.04919	NA	MeJP	NA	NA
+C08429	Clitidine 5'-phosphate	C11H15N2O9P	350.0515	NA	KEGG	NA	NA
+MJ042337	Clitidine; 5'-Phosphate 	C11H15N2O9P	350.051516	NA	MeJP	NA	NA
+MJ042338	Naftoxate 	C19H14N2OS2	350.054754	NA	MeJP	NA	NA
+MJ042339	Griseofulvin, 5',6'-Didehydro 	C17H15ClO6	350.055715	NA	MeJP	NA	NA
+MJ042340	Loviride 	C17H16Cl2N2O2	350.058883	NA	MeJP	NA	NA
+MJ042341	Rhodolauradiol 	C15H24BrClO2	350.06482	NA	MeJP	NA	NA
+MJ042342	Benzyl glucopyranoside; ?-D-form, 2-O-Sulfate 	C13H18O9S	350.067152	NA	MeJP	NA	NA
+C10295	Alteichin	C20H14O6	350.079	NA	KEGG	NA	NA
+C12377	Tetracenomycin B1	C20H14O6	350.079	NA	KEGG	NA	NA
+MJ042343	1,4-Dihydro-4,8,8'-trihydroxy-[1,2'-binaphthalene]-1',3,4'(2H)-trione 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042344	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4-Me ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042345	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 5-Me ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042346	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 7,7'R-Dihydro, 3',4',:4,5-bis(methylene) ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042347	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 7,8-Dihydro, 3',4':4,5-bis(methylene) ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042348	3,3'-Ethylidenebis[4-hydroxy-2H-1-benzopyran-2-one] 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042349	7,7'-Dihydroxy-8,8'-bicoumarin; Di-Me ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042350	8-Ethyl-1,6,10,11-tetrahydroxy-5,12-naphthacenedione 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042351	8-Methoxy-3-methylbenz[a]anthracene-1,4,7,12-tetrone; 2,3-Dihydro, 3-hydroxy 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042352	Alterperylenol 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042353	Altertoxin II 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042354	Arnottin I 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042355	Bicoumol; Di-Me ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042356	Corticin C 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042357	Dictyomedin A; 3'-Demethoxy 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042358	Jusneesiinol; Deoxy 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042359	Lupinalbin H 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042360	Palmarumycin CP1; 2,3-Dihydro, 2R,8-dihydroxy 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042361	Palmarumycin CP1; 8-Hydroxy, 2?,3?-epoxide, 4?-alcohol 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042362	Salvileucantholide 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042363	Taiwanin A 	C20H14O6	350.079038	NA	MeJP	NA	NA
+MJ042364	Tetracenomycin D; 3(or 8)-Me ether 	C20H14O6	350.079038	NA	MeJP	NA	NA
+C14731	16alpha-Bromo-17beta-estradiol	C18H23BrO2	350.0881	NA	KEGG	NA	NA
+MJ042365	18-Bromo-9,17-octadecadiene-5,7-diynoic acid 	C18H23BrO2	350.088142	NA	MeJP	NA	NA
+MJ042366	18-Bromo-9,17-octadecadiene-7,15-diynoic acid 	C18H23BrO2	350.088142	NA	MeJP	NA	NA
+PJ000458	CND 	C11H18N4O7S	350.0896	NA	PeJP	NA	NA
+C08126	Penicillin V	C16H18N2O5S	350.0936	NA	KEGG	NA	NA
+C17404	Penicillin X	C16H18N2O5S	350.0936	NA	KEGG	NA	NA
+MJ042367	4-Hydroxybenzylpenicillin 	C16H18N2O5S	350.093642	NA	MeJP	NA	NA
+MJ042368	Phenoxymethylpenicillin 	C16H18N2O5S	350.093642	NA	MeJP	NA	NA
+MJ042369	5-Methylaltersolanol A 	C17H18O8	350.100167	NA	MeJP	NA	NA
+MJ042370	Erythrostominone; 2'-Alcohol 	C17H18O8	350.100167	NA	MeJP	NA	NA
+MJ042371	Islandic acid II; 1'-O-(2Z,4E)-Hexadienoyl 	C17H18O8	350.100167	NA	MeJP	NA	NA
+MJ042372	2-Butyl-1-[(4-carboxyphenyl)methyl]-4-chloro-1H-imidazole-5-acetic acid 	C17H19ClN2O4	350.103334	NA	MeJP	NA	NA
+MJ042373	Biapenem 	C15H18N4O4S	350.104875	NA	MeJP	NA	NA
+C11268	Biapenem	C15H18N4O4S	350.1049	NA	KEGG	NA	NA
+MJ042374	Cystothiazole E 	C17H22N2O2S2	350.112269	NA	MeJP	NA	NA
+FL1C1CNP0001	Glabrachromene II	C21H18O5	350.11542	51848-09-0	knapsack	NA	NA
+FL2F1CNP0001	Ovaliflavanone B	C21H18O5	350.11542	62868-06-8	knapsack	NA	NA
+FL3F19NF0005	Semiglabrinol;(7aS,10R,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C21H18O5	350.11542	51787-33-8	knapsack	NA	NA
+FL3F19NF0007	(-)-Pseudosemiglabrinol;Pseudosemiglabrinol;(7aS,10S,10aR)-7a,9,10,10a-Tetrahydro-10-hydroxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C21H18O5	350.11542	102916-89-2	knapsack	NA	NA
+FLIA1CNI0001	Maximaisoflavone B	C21H18O5	350.11542	4737-28-4	knapsack	NA	NA
+FLIAABNP0001	4'-O-methylalpinumisoflavone	C21H18O5	350.11542	27762-87-4	knapsack	NA	NA
+FLIAABNP0002	4'-O-Methylderrone	C21H18O5	350.11542	104703-99-3	knapsack	NA	NA
+FLID1CNP0001	Neorautenane;Neorautenaan;1,2-Didehydroneorautane	C21H18O5	350.11542	65418-33-9	knapsack	NA	NA
+FLID1CNP0002	Leiocarpin	C21H18O5	350.11542	34198-69-1	knapsack	NA	NA
+MJ042375	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-Benzoyl 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042376	3',4',7-Trihydroxy-6-prenylflavone; 3',4'-Methylene ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042377	3-Hydroxymethyl-3,5-cyclohexadiene-1,2-diol, 1,1'-Dibenzoyl 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042378	4',7,8-Trihydroxyisoflavone; 7,8-Methylene ether, 4'-O-(3-methyl-2-butenyl) 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042379	5-Hydroxy-2-phenyl-1,8-napthalenedicarboxylic acid; 5-Deoxy, 6-methoxy, di-Me ester 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042380	5-Hydroxy-2-phenyl-1,8-napthalenedicarboxylic acid; Me Ether, di-Me ester 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042381	7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one, O-Benzoyl 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042382	7-Hydroxy-3',4'-methylenedioxyisoflavone; O-(3-Methyl-2-butenyl) 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042383	Alpinumisoflavone; 4'-Me ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042384	Alpinumisoflavone; 5-Me ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042385	Brasiliquinone B; 8-Me ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042386	Derrone; 4'-Me ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042387	Derrone; 5-Me ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042388	Emoroidocarpan 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042389	Isobavachromene; 3''-Hydroxy, 3'',4''-methylene ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042390	Kanzonol W; 4'-Me ether 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042391	Leiocarpin 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042392	Neorautane; 1,2-Didehydro 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042393	Ovalichromene A; Demethoxy 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042394	Piscisoflavone C 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042395	Semiglabrinol 	C21H18O5	350.115423	NA	MeJP	NA	NA
+MJ042396	Estrone 3-sulfate 	C18H22O5S	350.118794	NA	MeJP	NA	NA
+MJ042397	Estrone; O-Sulfate 	C18H22O5S	350.118794	NA	MeJP	NA	NA
+MetaCyc03101	estrone-sulfate [estrone-sulfate;estrone-3-sulfate;evex;oestrone sulphate;]	C18H22O5S1	350.118795	481-97-0	metacyc	NA	NA
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	HMDB	NA	NA
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	Inhouse_PFEM	NA	NA
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR103	Estrone sulfate	C18H22O5S	350.118797	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR103	Estrone sulfate	C18H22O5S	350.1188	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01425	Estrone sulfate	C18H22O5S	350.1188	http://www.hmdb.ca/metabolites/HMDB01425	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR103	Estrone sulfate	C18H22O5S	350.1188	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR103	Estrone sulfate	C18H22O5S	350.1188	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01425	Estrone sulfate	C18H22O5S	350.1188	http://www.hmdb.ca/metabolites/HMDB01425	HMDB	NA	NA
+EUR103	Estrone sulfate	C18H22O5S	350.1188	Wishlist	Inhousejuil11	NA	NA
+C02538	Estrone 3-sulfate	C18H22O5S	350.1188	NA	KEGG	NA	NA
+HMDB01425	Estrone sulfate	C18H22O5S	350.1188	http://www.hmdb.ca/metabolites/HMDB01425	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01425	Estrone sulfate	C18H22O5S	350.1188	HMDB01425	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01425	Estrone sulfate	C18H22O5S	350.118805	NA	HMDB2010	NA	NA
+MJ042398	4-(5-Ethyl-2-thienyl)-2-[2-(1H-imidazol-1-yl)ethyl]-1(2H)-phthalazinone 	C19H18N4OS	350.120131	NA	MeJP	NA	NA
+MJ042399	Holmioside; 5-Deoxy 	C14H22O10	350.121296	NA	MeJP	NA	NA
+MJ042400	4-[2-[[2-[(1H-Imidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl]morpholine 	C16H22N4OS2	350.123502	NA	MeJP	NA	NA
+PJ000459	SNM 	C12H22N4O6S	350.126	NA	PeJP	NA	NA
+MJ042401	Corydamine 	C20H18N2O4	350.126657	NA	MeJP	NA	NA
+MJ042402	Isaindigotone 	C20H18N2O4	350.126657	NA	MeJP	NA	NA
+MJ042403	Tryptophan, Na-(4-Hydroxycinnamoyl) 	C20H18N2O4	350.126657	NA	MeJP	NA	NA
+MJ042404	Isochromophilone III; 1,8a-Didehydro 	C19H23ClO4	350.128486	NA	MeJP	NA	NA
+MJ042405	Marmin, 7'-Deoxy, 7'-chloro 	C19H23ClO4	350.128486	NA	MeJP	NA	NA
+MJ042406	Sclerotiorin, O-De-Ac, 8R-alcohol 	C19H23ClO4	350.128486	NA	MeJP	NA	NA
+MJ042407	1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, 5''-Methoxy 	C18H22O7	350.136553	NA	MeJP	NA	NA
+MJ042408	3,6-Dimethyl-1,2,4-naphthalenetriol; 1-O-?-L-Rhamnopyranoside 	C18H22O7	350.136553	NA	MeJP	NA	NA
+MJ042409	Nagilactone D; Deepoxy, 1?,2?-dihydroxy 	C18H22O7	350.136553	NA	MeJP	NA	NA
+MJ042410	Nagilactone J 	C18H22O7	350.136553	NA	MeJP	NA	NA
+C09438	Fagaronine	C21H20NO4	350.1392	NA	KEGG	NA	NA
+PJ000460	GSST 	C12H22N4O8	350.1438	NA	PeJP	NA	NA
+MJ042411	Anhydrohapaloxindole B; Dechloro 	C21H22N2OS	350.145284	NA	MeJP	NA	NA
+MJ042412	3,3',5-Trihydroxy-2-(4-hydroxybenzyl)bibenzyl; 3-Me ether 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042413	3,3',5-Trihydroxy-2-(4-hydroxybenzyl)bibenzyl; 5-Me ether 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042414	3,3',5-Trihydroxy-4-(4-hydroxybenzyl)bibenzyl; 3-Me ether 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042415	4-[[4-[[4-(Methoxymethyl)phenoxy]methyl]phenoxy]methyl]phenol 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042416	Cyclomicrophyllone 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042417	Ehretianone 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042418	Endiandric acid A; 3'',4''-Methylenedioxy 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042419	Gorgiagallylazulene 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042420	Microphyllone 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042421	Paralycolin A 	C22H22O4	350.151809	NA	MeJP	NA	NA
+MJ042422	Sibopirdine 	C23H18N4	350.153146	NA	MeJP	NA	NA
+MJ042423	2-Hydroxy-7(11)-eremophilen-12,8-olide, O-(3-Methylthio-2E-propenoyl) 	C19H26O4S	350.15518	NA	MeJP	NA	NA
+MJ042424	2-Hydroxy-7(11)-eremophilen-12,8-olide, O-(3-Methylthio-2Z-propenoyl) 	C19H26O4S	350.15518	NA	MeJP	NA	NA
+MJ042425	3,11-Dihydroxy-6,9-eremophiladien-8-one; 3?-form, 3-(3-Methylthio-2-propenoyl) (Z-) 	C19H26O4S	350.15518	NA	MeJP	NA	NA
+MJ042426	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-(3-Methylsulfinyl-2-propenoyl) (E-) 	C19H26O4S	350.15518	NA	MeJP	NA	NA
+MJ042427	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-[3-(Methylsulfinyl)-2-propenoyl] (Z-) 	C19H26O4S	350.15518	NA	MeJP	NA	NA
+MJ042428	3-Hydroxy-9,11-eremophiladien-8-one, O-(3-Methylsulfinyl-2Z-propenoyl) 	C19H26O4S	350.15518	NA	MeJP	NA	NA
+MJ042429	Cerberidol; 5?,9?-Epoxide, 3-O-?-D-allopyranoside 	C15H26O9	350.157682	NA	MeJP	NA	NA
+MJ042430	Cyclocerberidol; 3-O-Alloside 	C15H26O9	350.157682	NA	MeJP	NA	NA
+MJ042431	Eucommiol; 3-O-?-D-Glucopyranoside 	C15H26O9	350.157682	NA	MeJP	NA	NA
+MJ042432	Eucommiol; 6-O-?-D-Glucopyranoside 	C15H26O9	350.157682	NA	MeJP	NA	NA
+PJ000461	GQF 	C16H22N4O5	350.159	NA	PeJP	NA	NA
+MJ042433	Peratizole 	C17H26N4S2	350.159888	NA	MeJP	NA	NA
+PJ000462	TCK 	C13H26N4O5S	350.1624	NA	PeJP	NA	NA
+C01761	Vomilenine	C21H22N2O3	350.163	NA	KEGG	NA	NA
+C11632	Polyneuridine aldehyde	C21H22N2O3	350.163	NA	KEGG	NA	NA
+C11680	Cathenamine	C21H22N2O3	350.163	NA	KEGG	NA	NA
+C11681	19-epi-Cathenamine	C21H22N2O3	350.163	NA	KEGG	NA	NA
+MJ042434	1,2,5,6-Tetrahydro-1-[2-[[(diphenylmethylene)amino]oxy]ethyl]-3-pyridinecarboxylic acid 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042435	?-Colubrine; O-De-Me 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042436	Cathenamine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042437	Correantine B 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042438	Correantine C 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042439	Corynantheidinaline 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042440	Criocerine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042441	Isostrychnine; Nb-Oxide 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042442	Kopsinine; 3-Oxo, 14,15-didehydro 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042443	Kopsinone 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042444	Nor-C-fluorocurarine, 18-Acetoxy 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042445	Perakine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042446	Pericyclivine; 16-Epimer, 16-formyl 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042447	Polyneuridine aldehyde 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042448	Pseudostrychnine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042449	Quebrachidine; 17-Ketone, 2-epimer 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042450	Rhazinaline 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042451	Scandine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042452	Strychnine; 12-Hydroxy 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042453	Strychnine; 15-Hydroxy 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042454	Strychnine; Nb-Oxide 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042455	Strychnozairine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042456	Tabersonine, 3-Oxo 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042457	Vallesiachotamine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042458	Vomilenine 	C21H22N2O3	350.163042	NA	MeJP	NA	NA
+MJ042459	3,4,5,6-Tetradehydroyohimbinium 	C21H23N2O3(+)	350.163042	NA	MeJP	NA	NA
+MJ042460	Geissoschizine; N4,21-Dehydro 	C21H23N2O3(+)	350.163042	NA	MeJP	NA	NA
+MJ042461	Kopsinilamine 	C21H23N2O3(+)	350.163042	NA	MeJP	NA	NA
+MJ042462	Sitsirikine; 3,4,5,6-Tetradehydro 	C21H23N2O3(+)	350.163042	NA	MeJP	NA	NA
+MetaCyc03102	vomilenine []	C21H22N2O3	350.163043	6880-50-8	metacyc	NA	NA
+MetaCyc03103	Polyneuridine aldehyde []	C21H22N2O3	350.163043	NA	metacyc	NA	NA
+C15407	9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione	C20H27ClO3	350.1649	NA	KEGG	NA	NA
+3719	NA	WWPRG	350.166	MH2+	Inhouse_peptide	NA	peptide
+MJ042463	Delequamine 	C18H26N2O3S	350.166413	NA	MeJP	NA	NA
+C09290	Alatolide	C19H26O6	350.1729	NA	KEGG	NA	NA
+C09297	Arctiopicrin	C19H26O6	350.1729	NA	KEGG	NA	NA
+MJ042464	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042465	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042466	1,10-Epoxy-8,9-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042467	1,3,8-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042468	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042469	1,3-Dihydroxy-4-eudesmen-12,6-olide, Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042470	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-(2-methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042471	1,4,15-Trihydroxy-11(13)-eudesmen-12,6-olide, 15-(2-Methylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042472	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 15-(2-methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042473	1,4-Cyclo-7,10-epoxy-5,8-dihydroxy-11-germacren-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042474	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042475	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042476	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 6-(2-Methylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042477	1,6-Dihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042478	1,8,10-Trihydroxy-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042479	1,8-Dihydroxy-3-oxo-11(13)-eudesmen-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042480	1-Hydroxy-12-oxo-2,6,10-farnesatrien-14,5-olide; 12-Alcohol, Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042481	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Hydroxy-2-methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042482	15,16-Epoxy-2,3,19-trihydroxy-18-nor-8(17),13(16),14-labdatrien-12-one, 7-Oxo, 8?,14-dihydro 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042483	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2,3-Dihydroxy-2-methylpropanoyl 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042484	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042485	3,15-Scirpenediol; 3?-form, 3,15-Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042486	3,4,8-Scirpenetriol, 4-O-(2Z-Butenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042487	3,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 3,4-Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042488	3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 6-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042489	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042490	3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042491	3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-dihydro, di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042492	4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042493	4,15-Scirpenediol, Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042494	4,5-Epoxy-6,9-dihydroxy-4,11(13)-germacradien-12,8-olide, 9-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042495	4,5-Epoxy-7,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042496	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042497	6,9,15-Trihydroxy-1,3,11(13)-elematrien-12,8-olide, 9-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042498	6,9-Dihydroxy-15-oxo-1,3-elemadien-12,8-olide, 6-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042499	7,10-Epoxy-4,8-dihydroxy-11-guaien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042500	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042501	7,8:8,12:11,12-Triepoxy-1(10)-eremophilene-3,6-diol, 6-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042502	8,10-Dihydroxy-3-oxo-1,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042503	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042504	8,14,15-Trihydroxy-4-germacren-12,6-olide, 8-(2-Methylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042505	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Hydroxy-2-methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042506	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042507	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3-Hydroxy-2-methylenepropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042508	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042509	9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5,8-bis(2-methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042510	9,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-O-(2-Methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042511	Ambuic acid 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042512	Epoxyconiferyl alcohol; 1-O-(2-Methylbutanoyl), 4'-O-(2-methylpropanoyl) 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042513	Eremantholide C; 4?,5,17,18-Tetrahydro 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042514	Eurycomalactone; 3,4?-Dihydro 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042515	Eurycomalactone; 7?-Alcohol 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042516	Fukinolidiol; Di-Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042517	Gibberellin A10; 3?-Hydroxy 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042518	Gibberellin A4; 16,17-Dihydro, 17-hydroxy 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042519	Gibberellin A82 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042520	Ligulaverin E 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042521	Longilactone; 6-Deoxy 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042522	Melicopol 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042523	Ovalifolienal; 9,10-Dihydro 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042524	Plagiochiline I; Ac 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042525	Salvicanaric acid; 2?-Hydroxy 	C19H26O6	350.172938	NA	MeJP	NA	NA
+MJ042526	5-[[2-(Diethylamino)ethyl]amino]-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one 	C20H22N4O2	350.174275	NA	MeJP	NA	NA
+MJ042527	Phenylahistin 	C20H22N4O2	350.174275	NA	MeJP	NA	NA
+MJ042528	Romergoline 	C20H22N4O2	350.174275	NA	MeJP	NA	NA
+MJ042529	Virantmycin; Amide 	C19H27ClN2O2	350.176105	NA	MeJP	NA	NA
+3377	ACE inhibitor (from bovine as1-CN)	FGK	350.183	celiac toxic	Inhouse_peptide	NA	peptide
+MJ042530	Disofenin 	C18H26N2O5	350.184171	NA	MeJP	NA	NA
+MJ042531	1,17-Diisothiocyanato-1,16-heptadecadiene 	C19H30N2S2	350.18504	NA	MeJP	NA	NA
+MJ042532	5-Hydroxy-2-(8-phenyloctyl)-4H-1-benzopyran-4-one 	C23H26O3	350.188194	NA	MeJP	NA	NA
+MJ042533	6-(1,3,5,7,9,11,15-Heptadecaheptaenyl)-4-methoxy-2H-pyran-2-one 	C23H26O3	350.188194	NA	MeJP	NA	NA
+MJ042534	Phenothrin 	C23H26O3	350.188194	NA	MeJP	NA	NA
+C14387	Phenothrin	C23H26O3	350.1882	NA	KEGG	NA	NA
+MJ042535	2,6-Dimethyl-7-octene-2,3,6-triol, 2-O-?-D-Glucopyranoside 	C16H30O8	350.194067	NA	MeJP	NA	NA
+MJ042536	2,6-Dimethyl-7-octene-2,3,6-triol, 6-O-?-D-Glucopyranoside 	C16H30O8	350.194067	NA	MeJP	NA	NA
+MJ042537	2,6-Dimethyl-7-octene-2,3,6-triol; 3-O-?-D-Glucopyranoside 	C16H30O8	350.194067	NA	MeJP	NA	NA
+MJ042538	2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-?-D-Glucopyranoside 	C16H30O8	350.194067	NA	MeJP	NA	NA
+MJ042539	p-Menthane-1,7,8-triol, 8-O-?-D-Glucopyranoside 	C16H30O8	350.194067	NA	MeJP	NA	NA
+PJ000463	GKF 	C17H26N4O4	350.1954	NA	PeJP	NA	NA
+MJ042540	Indocate 	C22H26N2O2	350.199428	NA	MeJP	NA	NA
+MJ042541	Sciodole 	C22H26N2O2	350.199428	NA	MeJP	NA	NA
+MJ042542	Vinpocetine 	C22H26N2O2	350.199428	NA	MeJP	NA	NA
+MJ042543	Carperone 	C19H27FN2O3	350.20057	NA	MeJP	NA	NA
+C15152	4,4-Difluoropregn-5-ene-3,20-dione	C21H28F2O2	350.2057	NA	KEGG	NA	NA
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.2093	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.2093	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.2093	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.2093	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.2093	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.2093	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.2093	Wishlist	Inhousejuil11	NA	NA
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.2093	Wishlist	Inhousejuil11	NA	NA
+C04707	(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate	C20H30O5	350.2093	NA	KEGG	NA	NA
+C04708	1-(beta-D-Galactosyl)-2-(2-hydroxyacyl)sphingosine	C26H48NO9R	350.2093	NA	KEGG	NA	NA
+C04758	(5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate	C20H30O5	350.2093	NA	KEGG	NA	NA
+C04759	1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen	C19H33N3O13R2	350.2093	NA	KEGG	NA	NA
+C04835	(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate	C20H30O5	350.2093	NA	KEGG	NA	NA
+C06439	Prostaglandin E3	C20H30O5	350.2093	NA	KEGG	NA	NA
+C13802	Prostaglandin D3	C20H30O5	350.2093	NA	KEGG	NA	NA
+C18171	Resolvin E1	C20H30O5	350.2093	NA	KEGG	NA	NA
+C18176	5S-Hydroperoxy-18R-HEPE	C20H30O5	350.2093	NA	KEGG	NA	NA
+HMDB02341	8-iso-15-keto-PGE2	C20H30O5	350.20932	http://www.hmdb.ca/metabolites/HMDB02341	HMDB	NA	NA
+HMDB02664	Prostaglandin E3	C20H30O5	350.20932	http://www.hmdb.ca/metabolites/HMDB02664	HMDB	NA	NA
+HMDB03034	Prostaglandin D3	C20H30O5	350.20932	http://www.hmdb.ca/metabolites/HMDB03034	HMDB	NA	NA
+HMDB03175	15-keto-Prostaglandin E2	C20H30O5	350.20932	http://www.hmdb.ca/metabolites/HMDB03175	HMDB	NA	NA
+HMDB02341	8-iso-15-keto-PGE2	C20H30O5	350.20932	HMDB02341	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02664	Prostaglandin E3	C20H30O5	350.20932	HMDB02664	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03034	Prostaglandin D3	C20H30O5	350.20932	HMDB03034	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03175	15-keto-Prostaglandin E2	C20H30O5	350.20932	HMDB03175	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02341	8-iso-15-keto-PGE2	C20H30O5	350.20932	NA	HMDB2010	NA	NA
+HMDB02664	Prostaglandin E3	C20H30O5	350.20932	NA	HMDB2010	NA	NA
+HMDB03034	Prostaglandin D3	C20H30O5	350.20932	NA	HMDB2010	NA	NA
+HMDB03175	15-Keto-prostaglandin E2	C20H30O5	350.20932	NA	HMDB2010	NA	NA
+HMDB10410	Resolvin E1	C20H30O5	350.20932	NA	HMDB2010	NA	NA
+MJ042544	1,2,7,14-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042545	1,2-Dihydroxy-13-oxo-6,10,14-phytatrien-20,1-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042546	1,4-Dihydroxy-11(13)-eudesmen-12,8-olide, 1-(2-Methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042547	1,7,11,14-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042548	1,7,12,14-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042549	1,7,14,20-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042550	1,8,12-Trihydroxy-2,6,10,14-phytatetraen-18,13-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042551	1,9,15-Trihydroxy-16-kauren-19-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042552	1-(3,4,5-Trihydroxyphenyl)ethanol, 3',5'-Di-Me ether, 4'-O-(3-methyl-2-butenyl), 1-O-(3-methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042553	1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, 6?,10?-epoxide, angeloyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042554	10(20)-Leucothene-3,5,6,14,16-pentol, 5-Ketone 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042555	11,12,15-Trihydroxy-16-kauren-19-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042556	11,14:12,13-Diepoxy-3-cyathene-1,14,15-triol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042557	11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042558	11,15-Dihydroxy-9-oxo-5-prosten-13-ynoic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042559	11,16-Epoxy-15,17-dihydroxy-19-kauranoic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042560	11,16-Epoxy-9,15-dihydroxy-19-kauranoic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042561	12,15-Dihydroxy-8(17),13-labdadien-19-oic acid, 15-Carboxylic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042562	13(16),14-Spongiadiene-2,3,17,19-tetrol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042563	13,19-Dihydroxy-1,3,7-cembratriene-9,14-dione, 3?,4?-Epoxide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042564	15,16,17,19-Tetrahydroxy-3,13-clerodadien-18-oic acid, 18?19 Lactone 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042565	15,16-Epoxy-6,12,19-trihydroxy-13(16),14-clerodadien-18-al 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042566	15,16-Epoxy-6,9,19-trihydroxy-13(16),14-labdadien-7-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042567	15,16:18,19-Diepoxy-13(16),14-clerodadiene-6,12,18-triol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042568	15,17-Epoxy-7,17-dihydroxy-16-spongianone 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042569	16,17,18-Trihydroxy-2,6,10,14-phytatetraen-1,20-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042570	16,18-Dihydroxy-3,13-clerodadien-15-oic acid, 18-Aldehyde 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042571	16-Hydroxy-2,3-seco-13-atisene-2,3-dioic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042572	16-Hydroxy-2,6,10,14-phytatetraene-1,19-dioic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042573	17,18,19-Trihydroxy-13-labden-16,15-olide, 17-Aldehyde 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042574	18-Hydroxy-3,4-seco-15-beyeradiene-3,17-dioic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042575	18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid, 2,3S-Dihydro 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042576	2,4-Dihydroxy-1(5)-guaien-12,8-olide, 1-(2-Methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042577	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(3-Methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042578	2,6,10,14-Phytatetraene-1,18,19-triol, 18,19-Dicarboxylic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042579	2,6,19-Trihydroxy-8,13-labdadien-15,16-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042580	2,6-Dihydroxy-8,13-labdadien-15,16-olide, 17-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042581	2-Hydroxy-3-cleroden-18,19-olid-15-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042582	3,11,19-Trihydroxy-8(17),13-labdadien-16,15-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042583	3,12,19-Trihydroxy-8(17),13-labdadien-16,15-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042584	3,13-Epoxy-4,8-dihydroxy-6,15(17)-cembradien-16,14-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042585	3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042586	3,15-Dihydroxy-14-oxo-8(17),13(16)-labdadien-19-oic acid; 3?-form 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042587	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-Angeloyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042588	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(3-Methyl-2-butenoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042589	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-Angeloyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042590	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 10'S-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042591	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'S-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042592	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 9'S-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042593	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042594	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042595	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042596	3,4-Epoxy-11-hydroxy-7,15(17)-cembradien-16,12-olide, 6?-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042597	3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide, 7S,8R-Epoxide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042598	3,4-Epoxy-7,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042599	3,4-Epoxy-8,13-dihydroxy-6,15(17)-cembradien-16,14-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042600	3,5,6-Trihydroxy-13(17),15-cleistanthadien-19-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042601	3,7,12,14-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042602	3,7,14,18-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042603	3,7,14,20-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042604	3,9,15-Trihydroxy-16-kauren-19-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042605	3-Clerodene-15,18,19-triol, 15,19-Dicarboxylic acid, 18-aldehyde 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042606	4,18-Epoxy-2,6-dihydroxy-13-cleroden-15,16-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042607	4,18-Epoxy-6,19-dihydroxy-13-cleroden-16,15-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042608	4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19-triol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042609	4,19:15,16-Diepoxy-13(16),14-clerodadiene-6,12,18-triol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042610	4,5-Epoxy-2-hydroxy-11(13)-guaien-12,8-olide, 11?,13-Dihydro, O-(2-methylbutanoyl)(S-) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042611	4,7-Epoxy-2,3-dihydroxy-1(15),11-cembradien-16,14-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042612	4,7-Epoxy-3,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042613	4-Hydroxy-2-cleroden-18,19-olid-15-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042614	5,10,14-Trihydroxy-8-daucen-2-one, 10-Angeloyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042615	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 20-Oxo 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042616	5,14,15-Trihydroxy-6,8,10,12,17-eicosapentaenoic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042617	5,6,15-Trihydroxy-7,9,11,13,17-eicosapentaenoic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042618	6,13-Dihydroxy-7-oxo-8-labden-15,16-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042619	6,15-Dihydroxy-7-labden-17-oic acid, 6-Ketone, 15-carboxylic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042620	6,16-Dihydroxy-17-oxo-7,13-labdadien-15-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042621	6,18,19-Trihydroxy-3,13-clerodadien-15,16-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042622	6,7,12-Trihydroxy-16-kauren-19-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042623	6,7,16,18-Tetrahydroxy-19-kauranoic acid, 19?6 Lactone 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042624	7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 11-Deoxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042625	7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 12-Deoxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042626	7,11,12,14-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042627	7,11,14,20-Tetrahydroxy-16-kauren-15-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042628	7,15,16,19-Tetrahydroxy-3,13-clerodadien-18-oic acid, 18?19 Lactone 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042629	7,15,16-Trihydroxy-19,20-atisanolide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042630	7,15-Dihydroxy-3-cleroden-18,19-olide, 15-Carboxylic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042631	7,18,19-Trihydroxy-3,13-clerodadien-16,15-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042632	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042633	7,20-Epoxy-16-kaurene-1,7,11,15-tetrol 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042634	7,8,14-Trihydroxy-15-isopimaren-18-oic acid, 7-Ketone 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042635	7,8,16,18-Tetrahydroxy-19-serrulatanoic acid; 18-Deoxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042636	7,9,15-Trihydroxy-16-kauren-19-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042637	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-(2-methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042638	8,11,14-Trihydroxy-13(15)-abieten-16,12-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042639	8,12-Epidioxy-15-hydroxy-13-abieten-18-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042640	8,12-Epoxy-16,17-dihydroxy-13-labden-15,16-olide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042641	8,12:13,17-Diepoxy-16-hydroxy-15,16-labdanolide 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042642	8,13-Epoxy-2,3-seco-14-labden-3,1-olid-2-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042643	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042644	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042645	9,13-Epidioxy-7-hydroxy-8(14)-abieten-18-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042646	9,13-Epidioxy-8(14)-abieten-18-oic acid, 3?-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042647	9,13-Epidioxy-8(14)-abieten-18-oic acid, 4-Epimer, 15-hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042648	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 17-Carboxylic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042649	9,13-Epoxy-18-hydroxy-6-oxo-7-labden-15-oic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042650	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Carboxylic acid 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042651	9,13-Epoxy-4-hydroxy-18-nor-7-labden-15-oic acid, 4-Formyl 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042652	9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 15-Ketone (lactone) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042653	9,13:15,16-Diepoxy-6,19-dihydroxy-14-labden-12-one 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042654	9,13:15,16-Diepoxy-7,15-dihydroxy-6-labdanone, 15-Ketone (lactone) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042655	9,13:15,16-Diepoxy-8,15-dihydroxy-7-labdanone, 15-Ketone (lactone) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042656	Aplytangene 2 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042657	Coronarin B; 7?-Hydroxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042658	Floridicin B 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042659	Florlide A 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042660	Fukinolidiol; 1-(3-Methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042661	Hymenoxon; 3-Deoxy, 8-epimer, 4-(2-methylbutanoyl) 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042662	Ichthyouleolide; 14,15-Dihydro, 13,14-didehydro, 15-hydroperoxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042663	Ichthyouleolide; 14,15-Dihydro, 15,17-didehydro, 14-hydroperoxy 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042664	Kromycin 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042665	Oryzalic acid A 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042666	Oryzalic acid B 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042667	Portulene; ?4-Isomer, 3-oxo 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042668	Prostaglandin D3 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042669	Prostaglandin H3 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042670	Prostaglandin I3 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MJ042671	Thromboxane A3 	C20H30O5	350.209324	NA	MeJP	NA	NA
+MetaCyc03104	(5Z,13E)-9-&alpha;-hydroxy-11,15-dioxoprosta-5,13-dienoate []	C20H30O5	350.209324	NA	metacyc	NA	NA
+MetaCyc03105	(5Z,13E)-6,9-&alpha;-epoxy-11-&alpha;-hydroxy-15-oxoprosta-5,13-dienoate []	C20H30O5	350.209324	NA	metacyc	NA	NA
+MetaCyc03106	(5Z,13E)-11-&alpha;-hydroxy-9,15-dioxoprost-13-enoate []	C20H30O5	350.209324	NA	metacyc	NA	NA
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	HMDB	NA	NA
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	HMDB	NA	NA
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	Inhouse_PFEM	NA	NA
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	Inhouse_PFEM	NA	NA
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR173	ProstaglandinD3(PGD3)	C20H30O5	350.209325	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR177	ProstaglandinE3(PGE3)	C20H30O5	350.209325	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ042672	4-Geranyl-5-(2-phenylethyl)-1,3-benzenediol 	C24H30O2	350.22458	NA	MeJP	NA	NA
+MJ042673	8-Hydroxybicyclogermacrene; 8?-form, E-Cinnamoyl 	C24H30O2	350.22458	NA	MeJP	NA	NA
+MJ042674	Cryptocaryic acid 	C24H30O2	350.22458	NA	MeJP	NA	NA
+MJ042675	Dihydroamorphastilbol 	C24H30O2	350.22458	NA	MeJP	NA	NA
+MJ042676	Doretinel 	C24H30O2	350.22458	NA	MeJP	NA	NA
+C14889	5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate	C21H31FO3	350.2257	NA	KEGG	NA	NA
+C15071	6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione	C21H31FO3	350.2257	NA	KEGG	NA	NA
+C15113	9-Fluoro-11beta,17beta-dihydroxy-2,17-dimethylandrost-4-en-3-one	C21H31FO3	350.2257	NA	KEGG	NA	NA
+C15166	5alpha-Androstane-2alpha-fluoro-17beta-ol-3-one acetate	C21H31FO3	350.2257	NA	KEGG	NA	NA
+MJ042677	?-Methylfentanyl 	C23H30N2O	350.235813	NA	MeJP	NA	NA
+MJ042678	Mefentanyl 	C23H30N2O	350.235813	NA	MeJP	NA	NA
+HMDB00268	Tetrahydrocorticosterone	C21H34O4	350.245697	NA	HMDB2010	NA	NA
+HMDB00449	5a-Tetrahydrocorticosterone	C21H34O4	350.245697	NA	HMDB2010	NA	NA
+HMDB05972	Tetrahydrodeoxycortisol	C21H34O4	350.245697	NA	HMDB2010	NA	NA
+HMDB11541	MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C21H34O4	350.245697	NA	HMDB2010	NA	NA
+HMDB11571	MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)	C21H34O4	350.245697	NA	HMDB2010	NA	NA
+HMDB05972	Tetrahydrodeoxycortisol	C21H34O4	350.2457	http://www.hmdb.ca/metabolites/HMDB05972	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00268	Tetrahydrocorticosterone	C21H34O4	350.2457	http://www.hmdb.ca/metabolites/HMDB00268	HMDB	NA	NA
+HMDB00449	5a-Tetrahydrocorticosterone	C21H34O4	350.2457	http://www.hmdb.ca/metabolites/HMDB00449	HMDB	NA	NA
+HMDB05972	Tetrahydrodeoxycortisol	C21H34O4	350.2457	http://www.hmdb.ca/metabolites/HMDB05972	HMDB	NA	NA
+C05476	Tetrahydrocorticosterone	C21H34O4	350.2457	NA	KEGG	NA	NA
+C05483	3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one	C21H34O4	350.2457	NA	KEGG	NA	NA
+C14594	3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one	C21H34O4	350.2457	NA	KEGG	NA	NA
+C15368	5beta-Pregnane-3alpha,17alpha,20alpha-triol-11-one	C21H34O4	350.2457	NA	KEGG	NA	NA
+C15403	3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one	C21H34O4	350.2457	NA	KEGG	NA	NA
+C17496	(10)-Gingerol	C21H34O4	350.2457	NA	KEGG	NA	NA
+HMDB05972	Tetrahydrodeoxycortisol	C21H34O4	350.2457	http://www.hmdb.ca/metabolites/HMDB05972	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00268	Tetrahydrocorticosterone	C21H34O4	350.2457	HMDB00268	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00449	5a-Tetrahydrocorticosterone	C21H34O4	350.2457	HMDB00449	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05972	Tetrahydrodeoxycortisol	C21H34O4	350.2457	HMDB05972	PFEM_hmdb_metabocards_official	NA	NA
+MJ042679	1,10(14)-Fusicoccadiene-3,8,12,16-tetrol, 16-Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042680	1,19-Dihydroxy-14-methyl-2,6,10,13-phytatetraen-12-one, 6?,7?-Epoxide 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042681	1,19-Dihydroxy-14-methyl-2,6,10,13-phytatetraen-12-one, ?14(21)-Isomer, 6?,7?-epoxide 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042682	1,3,20-Trihydroxypregnan-11-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042683	15,16-Dihydroxy-8(17),13-labdadien-19-oic acid, Me ester 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042684	15,16-Epoxy-15-hydroxy-8(17)-labden-18-oic acid, Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042685	18,19-Epoxy-18-hydroxy-3-cleroden-15-oic acid, Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042686	2,3,4-Trihydroxypregnan-16-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042687	2,3-Dihydroxy-8(17),13-labdadien-15-oic acid, Me ester 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042688	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042689	3,11,21-Trihydroxypregnan-20-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042690	3,17,20-Trihydroxypregnan-1-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042691	3,17,20-Trihydroxypregnan-11-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042692	3,17,21-Trihydroxypregnan-20-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042693	3,20,21-Trihydroxypregnan-11-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042694	3,4-Dihydroxy-13-cleroden-15,16-olide, 3-Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042695	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Methylpentanoyl) 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042696	3,7,15-Trihydroxypregnan-20-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042697	3,8,14-Trihydroxypregnan-20-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042698	3-(15-Hydroxyhexadecyl)-4-methyl-2,5-furandione, 15'-Ketone 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042699	3-Clerodene-15,18-diol, 15,18-Dicarboxylic acid, 18-Me ester 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042700	3-Hydroperoxy-4(18),13-clerodadien-15-oic acid; Me ester 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042701	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042702	6,18-Dihydroxy-3,13-clerodadien-15-oic acid, Me ester 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042703	7-[5-(3-Hydroxy-1-octenyl)-2-oxabicyclo[2.2.1]hept-6-yl]-5-heptenoic acid 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042704	7-[6-(3-Hydroxy-1-octenyl)-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042705	8(17)-Labdene-15,18-dioic acid, 15-Me ester 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042706	Ambliolide 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042707	Amphidinolide Q 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042708	Constanolactone C; 17,18-Dihydro, 9-Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042709	Constanolactone C; 9-Epimer, 17,18-dihydro, 9-Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042710	Cotylenol 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042711	Holantogenin 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042712	Isocarbacyclin 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042713	Plakorsin C 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042714	Plakortide E 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042715	Pregn-5-ene-3,12,14,20-tetrol 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042716	[10]-Gingerol 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042717	olactone C; 9-Epimer, 17,18-dihydro, 9-Me ether 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042718	3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042719	Tetrahydrocorticosterone 	C21H34O4	350.245709	NA	MeJP	NA	NA
+MJ042720	1-Octadecanol; O-Sulfate 	C18H38O4S	350.24908	NA	MeJP	NA	NA
+MJ042721	?-Apo-12'-carotenal 	C25H34O	350.260965	NA	MeJP	NA	NA
+MJ042722	13-Labdene-8,15-diol, 15-Ac 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042723	15,16-Epoxy-3-clerodene-15,18-diol, 15-Et ether 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042724	3,4-Dimethyl-5-pentyl-2-furanundecanoic acid 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042725	3-Clerodene-15,18-diol, 15-Ac 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042726	3-Clerodene-15,18-diol, 18-Ac 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042727	3-Viscidene-5,16-diol; 16-Ac 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042728	5-Hexadecyl-2-furanacetic acid 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042729	8(17)-Labdene-14,15-diol, 14-Ac 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042730	8(17)-Labdene-14,15-diol, 15-Ac 	C22H38O3	350.282095	NA	MeJP	NA	NA
+MJ042731	20-Methyl-5,9-docosadienoic acid 	C23H42O2	350.31848	NA	MeJP	NA	NA
+MJ042732	21-Methyl-5,9-docosadienoic acid 	C23H42O2	350.31848	NA	MeJP	NA	NA
+MJ042733	1-Pentacosene 	C25H50	350.391251	NA	MeJP	NA	NA
+MJ042734	11-Pentacosene 	C25H50	350.391251	NA	MeJP	NA	NA
+MJ042735	9-Pentacosene 	C25H50	350.391251	NA	MeJP	NA	NA
+4	Sarcoplasmic	DFHING	350.651	MH2+	Inhouse_peptide	NA	peptide
+8306	Antioxidative peptide	SVMPVVA	350.6827	MH2+	Inhouse_peptide	NA	peptide
+MJ042736	2,3,7-Tribromo-1H-indole 	C8H4Br3N	350.789387	NA	MeJP	NA	NA
+MJ042737	2,4,6-Tribromo-1H-indole 	C8H4Br3N	350.789387	NA	MeJP	NA	NA
+MJ042738	3,4,6-Tribromo-1H-indole 	C8H4Br3N	350.789387	NA	MeJP	NA	NA
+MJ042739	3,5,7-Tribromo-1H-indole 	C8H4Br3N	350.789387	NA	MeJP	NA	NA
+MJ042740	8-Hydroxy-7-iodo-5-quinolinesulfonic acid 	C9H6INO4S	350.906221	NA	MeJP	NA	NA
+MJ042741	N-(2-Bromophenyl)-N'-(2-hydroxy-4-nitrophenyl)urea 	C13H10BrN3O4	350.985468	NA	MeJP	NA	NA
+MetaCyc03107	5-methylaminomethyl-2-selenouridine [mnm(5)se(2)U;]	C11H17N3O5SE1	351.033342	NA	metacyc	NA	NA
+C08169	Meloxicam	C14H13N3O4S2	351.0347	NA	KEGG	NA	NA
+C08170	Transferred to D00970	C14H13N3O4S2	351.0347	NA	KEGG	NA	NA
+MJ042742	Meloxicam 	C14H13N3O4S2	351.034747	NA	MeJP	NA	NA
+MJ042743	3-[[(4,7-Dichloro-2-benzoxazolyl)methyl]amino]-5-ethyl-6-methyl-2(1H)-pyridinone 	C16H15Cl2N3O2	351.054132	NA	MeJP	NA	NA
+MJ042744	N'-[2-Chloro-5-(methylthio)phenyl]-N-methyl-N-[3-(methylthio)phenyl]guanidine 	C16H18ClN3S2	351.063066	NA	MeJP	NA	NA
+C02088	Tos-Phe-CH2Cl	C17H18ClNO3S	351.0696	NA	KEGG	NA	NA
+C02089	O-Acyltropine	C9H14NO2R	351.0696	NA	KEGG	NA	NA
+MJ042745	Muscaaurin I 	C14H13N3O8	351.070264	NA	MeJP	NA	NA
+C08559	Musca-aurin-I	C14H13N3O8	351.0703	NA	KEGG	NA	NA
+PJ000464	CDD 	C11H17N3O8S	351.0737	NA	PeJP	NA	NA
+MJ042746	1,3,10,11,12-Pentahydroxy-2-naphthacenecarboxamide 	C19H13NO6	351.074287	NA	MeJP	NA	NA
+MJ042747	Filiformine 	C19H13NO6	351.074287	NA	MeJP	NA	NA
+MJ042748	Axinyssimide A 	C16H24Cl3NO	351.092347	NA	MeJP	NA	NA
+MJ042749	2-Butyl-4-chloro-1-[(2-nitrophenyl)methyl]-1H-imidazole-5-acetic acid 	C16H18ClN3O4	351.098583	NA	MeJP	NA	NA
+C14875	S-(2-Hydroxyethyl)glutathione	C12H21N3O7S	351.11	NA	KEGG	NA	NA
+PJ000465	SDM 	C12H21N3O7S	351.11	NA	PeJP	NA	NA
+MJ042750	1,2,3-Trimethoxy-4,5-dioxo-6a,7-dehydroaporphine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042751	7-Formyldehydronornantentine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042752	Corunnine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042753	Dauriporphine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042754	Dehydroisocorydione 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042755	Dehydronantenine; N-De-Me, N-formyl 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042756	Fumariline 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042757	Glaunidine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042758	Grandirubrine; Me ether 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042759	Imenine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042760	Imerubrine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042761	Oxoglaucine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042762	Oxyberberine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042763	Pontevedrine; 9-Demethoxy 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042764	Ribasine 	C20H17NO5	351.110672	NA	MeJP	NA	NA
+MJ042765	Thalidastine, O10-Me 	C20H18NO5(+)	351.110672	NA	MeJP	NA	NA
+C04015	N-Acetyl-4-O-acetylneuraminate	C13H21NO10	351.1165	NA	KEGG	NA	NA
+C04016	N-Acetyl-7-O-acetylneuraminate	C13H21NO10	351.1165	NA	KEGG	NA	NA
+C04017	N-Acetyl-9-O-acetylneuraminate	C13H21NO10	351.1165	NA	KEGG	NA	NA
+C04018	N-Acetyl-D-galactosaminoglycan	C13H21NO10	351.1165	NA	KEGG	NA	NA
+C04019	N-Acetyl-alpha-D-glucosaminide	C8H14NO6R	351.1165	NA	KEGG	NA	NA
+MetaCyc03108	N-acetyl-O-acetylneuraminate []	C13H21N1O10	351.116546	NA	metacyc	NA	NA
+MetaCyc03109	N-acetyl-9-O-acetylneuraminate []	C13H21N1O10	351.116546	NA	metacyc	NA	NA
+MetaCyc03110	N-Acetyl-4-O-acetylneuraminate []	C13H21N1O10	351.116546	NA	metacyc	NA	NA
+MetaCyc03111	N-acetyl-7-O-acetylneuraminate []	C13H21N1O10	351.116546	NA	metacyc	NA	NA
+HMDB00785	N-Acetyl-7-O-acetylneuraminic acid	C13H21NO10	351.116547	NA	HMDB2010	NA	NA
+HMDB00794	N-Acetyl-9-O-acetylneuraminic acid	C13H21NO10	351.116547	NA	HMDB2010	NA	NA
+HMDB00796	N-Acetyl-4-O-acetylneuraminic acid	C13H21NO10	351.116547	NA	HMDB2010	NA	NA
+HMDB00785	N-Acetyl-7-O-acetylneuraminic acid	C13H21NO10	351.11655	http://www.hmdb.ca/metabolites/HMDB00785	HMDB	NA	NA
+HMDB00794	N-Acetyl-9-O-acetylneuraminic acid	C13H21NO10	351.11655	http://www.hmdb.ca/metabolites/HMDB00794	HMDB	NA	NA
+HMDB00796	N-Acetyl-4-O-acetylneuraminic acid	C13H21NO10	351.11655	http://www.hmdb.ca/metabolites/HMDB00796	HMDB	NA	NA
+HMDB00785	N-Acetyl-7-O-acetylneuraminic acid	C13H21NO10	351.11655	HMDB00785	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00794	N-Acetyl-9-O-acetylneuraminic acid	C13H21NO10	351.11655	HMDB00794	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00796	N-Acetyl-4-O-acetylneuraminic acid	C13H21NO10	351.11655	HMDB00796	PFEM_hmdb_metabocards_official	NA	NA
+C17950	N-Acetyldemethylphosphinothricin tripeptide	C12H22N3O7P	351.1195	NA	KEGG	NA	NA
+MJ042766	Wuchuyuamide I 	C19H17N3O4	351.121906	NA	MeJP	NA	NA
+C08026	Oxycodone hydrochloride	C18H21NO4	351.1237	NA	KEGG	NA	NA
+MJ042767	Adinazolam 	C19H18ClN5	351.125073	NA	MeJP	NA	NA
+MJ042768	Epicillin 	C16H21N3O4S	351.125276	NA	MeJP	NA	NA
+PJ000466	AMM 	C13H25N3O4S2	351.1287	NA	PeJP	NA	NA
+MJ042769	Tazarotene 	C21H21NO2S	351.129299	NA	MeJP	NA	NA
+C12531	Tazarotene	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12532	Transferred to D01133	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12533	Transferred to D01134	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12534	Transferred to D01135	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12535	Transferred to D01136	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12536	Transferred to D01137	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12537	Transferred to D01138	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12538	Transferred to D01139	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+C12539	Transferred to D01140	C21H21NO2S	351.1293	NA	KEGG	NA	NA
+MJ042770	Rhizocticin; Rhizocticin A 	C11H22N5O6P	351.130769	NA	MeJP	NA	NA
+C17944	Rhizocticin A	C11H22N5O6P	351.1308	NA	KEGG	NA	NA
+MJ042771	2-Amino-2-deoxyxylose; ?-D-Furanose-form, Me glycoside, N-benzoyl, di-Ac 	C17H21NO7	351.131802	NA	MeJP	NA	NA
+7868	peptide from Okara protein	ADF	351.1319	antioxidative	Inhouse_peptide	NA	peptide
+C07078	Lomefloxacin	C17H19F2N3O3	351.1394	NA	KEGG	NA	NA
+C07079	Transferred to D00363	C17H19F2N3O3	351.1394	NA	KEGG	NA	NA
+MJ042772	Lomefloxacin 	C17H19F2N3O3	351.139447	NA	MeJP	NA	NA
+PJ000467	GEF 	C16H21N3O6	351.1431	NA	PeJP	NA	NA
+MJ042773	Benfluorex 	C19H20F3NO2	351.144613	NA	MeJP	NA	NA
+PJ000468	TTM 	C13H25N3O6S	351.1464	NA	PeJP	NA	NA
+MJ042774	5,7-Dihydroxy-8-(2-piperidinyl)flavone; 5-Me ether 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042775	5,7-Dihydroxy-8-(2-piperidinyl)flavone; N-Me 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042776	Bulgaramine 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042777	Capitavine 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042778	Dehydrocavidine 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042779	Guadiscidine; Me ether, 11-methoxy 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042780	Melosmine; O1-Me 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042781	Ochotensine 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042782	Phyllosteminine 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042783	Thaliglucinone; Deoxo 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042784	Zindoxifene 	C21H21NO4	351.147058	NA	MeJP	NA	NA
+MJ042785	Dehydrocorydaline; O2-De-Me 	C21H22NO4(+)	351.147058	NA	MeJP	NA	NA
+MJ042786	Dehydrocorydaline; O3-De-Me 	C21H22NO4(+)	351.147058	NA	MeJP	NA	NA
+MJ042787	Lambertine; N-Me 	C21H22NO4(+)	351.147058	NA	MeJP	NA	NA
+MJ042788	Palmatine 	C21H22NO4(+)	351.147058	NA	MeJP	NA	NA
+MJ042789	Pseudopalmatine 	C21H22NO4(+)	351.147058	NA	MeJP	NA	NA
+MJ042790	Tetrahydrocorysamine, ?-N-Me 	C21H22NO4(+)	351.147058	NA	MeJP	NA	NA
+C09597	Ochotensine	C21H21NO4	351.1471	NA	KEGG	NA	NA
+C14745	Zindoxifene	C21H21NO4	351.1471	NA	KEGG	NA	NA
+MJ042791	Dambullin; N-Me 	C18H25NO4S	351.150428	NA	MeJP	NA	NA
+MJ042792	Validoxylamine B 	C14H25NO9	351.152931	NA	MeJP	NA	NA
+MJ042793	N-(2-Hydroxycyclopentyl)adenosine 	C15H21N5O5	351.154268	NA	MeJP	NA	NA
+MJ042794	Zeatin, 9-?-D-Ribofuranosyl 	C15H21N5O5	351.154268	NA	MeJP	NA	NA
+MetaCyc03112	trans-zeatin riboside [ZR;zeatin riboside;]	C15H21N5O5	351.154269	NA	metacyc	NA	NA
+MetaCyc03113	O-&beta;-D-xylosylzeatin []	C15H21N5O5	351.154269	NA	metacyc	NA	NA
+MetaCyc03114	cis-zeatin riboside [cZR;]	C15H21N5O5	351.154269	NA	metacyc	NA	NA
+C03300	O-beta-D-Xylosylzeatin	C15H21N5O5	351.1543	NA	KEGG	NA	NA
+C03302	Oxidized putidaredoxin	C15H21N5O5	351.1543	NA	KEGG	NA	NA
+C03303	Peptidylamidoglycolate	C4H7N2O4R	351.1543	NA	KEGG	NA	NA
+C03304	Poliovirus polyprotein	C4H7N2O4R	351.1543	NA	KEGG	NA	NA
+C16431	trans-Zeatin riboside	C15H21N5O5	351.1543	NA	KEGG	NA	NA
+C16449	cis-Zeatin riboside	C15H21N5O5	351.1543	NA	KEGG	NA	NA
+MJ042795	Phosphinothricylalanylvaline 	C13H26N3O6P	351.155922	NA	MeJP	NA	NA
+MJ042796	Aniflorine 	C20H21N3O3	351.158291	NA	MeJP	NA	NA
+MJ042797	Cycloechinulin 	C20H21N3O3	351.158291	NA	MeJP	NA	NA
+MJ042798	Moquizone 	C20H21N3O3	351.158291	NA	MeJP	NA	NA
+C10635	Aniflorine	C20H21N3O3	351.1583	NA	KEGG	NA	NA
+PJ000469	FW 	C20H21N3O3	351.1583	NA	PeJP	NA	NA
+MJ042799	Virantmycin 	C19H26ClNO3	351.160121	NA	MeJP	NA	NA
+2738	regulating phosphoinositole mechanism peptide	LGY	351.168	antibacterial	Inhouse_peptide	NA	peptide
+2739	regulating phosphoinositole mechanism peptide	GLY	351.168	antibacterial	Inhouse_peptide	NA	peptide
+3099	fragment of bovine alpha s1 casein (92-94)	LGY	351.168	celiac toxic	Inhouse_peptide	NA	peptide
+3546	ACE inhibitor	VAY	351.168	ACE inhibitor	Inhouse_peptide	NA	peptide
+3973	ACE inhibitor (from bovine a-La)	YGL	351.168	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ042800	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxybenzoyl) 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042801	Anacrotine 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042802	Crotafoline 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042803	Cruentine B 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042804	Doriasenine 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042805	Grantaline 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042806	Gynuramine 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042807	Jacobine 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042808	Madurensine 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042809	Monocrotaline; 12,13-Cyclic acetaldehyde acetal 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042810	Nemorensine; 11,14-Diepimer, 1,2-didehydro, 12S-hydroxy 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042811	Nemorensine; 11,14-Diepimer, 1,2-didehydro, 13R-hydroxy 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042812	Nemorensine; 11,14-Diepimer, 1,2-didehydro, N-oxide 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042813	Ptelefoline; 3',4'-Dihydro, 3'-hydroxy 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042814	Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 2'',3''-Dideoxy, 2'',3''-didehydro, N-oxide 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042815	Retrorsine 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042816	Rosmarinine; 13,19-Didehydro 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042817	Senecionine; 15E-Isomer, 21-hydroxy 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042818	Senecionine; 15E-Isomer, N-oxide 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+MJ042819	Senecionine; N-Oxide 	C18H25NO6	351.168187	NA	MeJP	NA	NA
+C10277	Anacrotine	C18H25NO6	351.1682	NA	KEGG	NA	NA
+C10279	Angularine	C18H25NO6	351.1682	NA	KEGG	NA	NA
+C10339	Jacobine	C18H25NO6	351.1682	NA	KEGG	NA	NA
+C10364	Retrorsine	C18H25NO6	351.1682	NA	KEGG	NA	NA
+C10413	Usaramine	C18H25NO6	351.1682	NA	KEGG	NA	NA
+C15612	Senecionine N-oxide	C18H25NO6	351.1682	NA	KEGG	NA	NA
+C07508	Pirenzepine	C19H21N5O2	351.1695	NA	KEGG	NA	NA
+MJ042820	Pirenzepine 	C19H21N5O2	351.169524	NA	MeJP	NA	NA
+MetaCyc03115	4,21-dehydrogeissoschizine []	C21H23N2O3	351.170868	NA	metacyc	NA	NA
+C03677	4,21-Dehydrogeissoschizine	C21H23N2O3	351.1709	NA	KEGG	NA	NA
+C11679	4,21-Dehydrocorynantheine aldehyde	C21H23N2O3	351.1709	NA	KEGG	NA	NA
+MJ042821	4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamide 	C21H22FN3O	351.17469	NA	MeJP	NA	NA
+8036	synthetic peptide	PHV	351.178	antibacterial	Inhouse_peptide	NA	peptide
+PJ000470	GLY 	C17H25N3O5	351.1794	NA	PeJP	NA	NA
+C12864	Tamibarotene	C22H25NO3	351.1834	NA	KEGG	NA	NA
+C15619	Am 580	C22H25NO3	351.1834	NA	KEGG	NA	NA
+MJ042822	2-(?-Hydroxybenzyl)-3-tropanol, O3-Benzoyl 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+MJ042823	2-Benzyl-3,6-tropanediol, O6-Benzoyl 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+MJ042824	Holadienine; 14,15-Didehydro, 16,18-dioxo 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+MJ042825	Julandine, 4',4''-Di-O-de-Me 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+MJ042826	N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]cinnamide, 4''-O-(3-Methyl-2-butenyl) 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+MJ042827	Pipoxolan 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+MJ042828	Tamibarotene 	C22H25NO3	351.183443	NA	MeJP	NA	NA
+PJ000471	PVH 	C16H25N5O4	351.1907	NA	PeJP	NA	NA
+MJ042829	Deoxybrevianamide E 	C21H25N3O2	351.194677	NA	MeJP	NA	NA
+MJ042830	Tryprostatin A; Demethoxy 	C21H25N3O2	351.194677	NA	MeJP	NA	NA
+MJ042831	Burodiline 	C19H29NO5	351.204573	NA	MeJP	NA	NA
+MJ042832	Dipivefrin 	C19H29NO5	351.204573	NA	MeJP	NA	NA
+MJ042833	Stemospironine 	C19H29NO5	351.204573	NA	MeJP	NA	NA
+MJ042834	1,7-Dihydroxy-1-hydroxymethylpyrrolizidine, N-Me, O7,O1'-diangeloyl 	C19H30NO5(+)	351.204573	NA	MeJP	NA	NA
+C06963	Dipivefrin	C19H29NO5	351.2046	NA	KEGG	NA	NA
+C06964	Transferred to D00302	C19H29NO5	351.2046	NA	KEGG	NA	NA
+MJ042835	1-[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]-1H-benzotriazole 	C20H25N5O	351.20591	NA	MeJP	NA	NA
+MJ042836	4-Coumaroylspermidine; 3',5'-Dimethoxy 	C18H29N3O4	351.215806	NA	MeJP	NA	NA
+MJ042837	Phenadoxone 	C23H29NO2	351.219829	NA	MeJP	NA	NA
+MJ042838	Pinolcaine 	C23H29NO2	351.219829	NA	MeJP	NA	NA
+MJ042839	Pyrrolifene 	C23H29NO2	351.219829	NA	MeJP	NA	NA
+MJ042840	Pulchellidine 	C20H33NO4	351.240958	NA	MeJP	NA	NA
+MJ042841	Loesenerine; 16,17E-Didehydro, 18?-hydroxy 	C19H33N3O3	351.252191	NA	MeJP	NA	NA
+MJ042842	Keramamine C 	C23H33N3	351.267448	NA	MeJP	NA	NA
+MJ042843	Incarvilline; O-(8-Hydroxy-2,6-dimethyl-2-octenoyl)(E-) 	C21H37NO3	351.277344	NA	MeJP	NA	NA
+MJ042844	Laingolide 	C21H37NO3	351.277344	NA	MeJP	NA	NA
+MJ042845	Melophlin A 	C21H37NO3	351.277344	NA	MeJP	NA	NA
+MJ042846	12-Oxooctadecanoic acid; Pyrrolidide 	C22H41NO2	351.313729	NA	MeJP	NA	NA
+MJ042847	Hexedine 	C22H45N3	351.361348	NA	MeJP	NA	NA
+MetaCyc03116	Fe4S4 iron-sulfur center [4Fe-4S iron-sulfur cluster;4Fe-4S center;4Fe-4S cluster;4Fe-4S;Fe4S4;[4Fe-4S];]	S4FE4	351.628051	NA	metacyc	NA	NA
+MJ042848	Selenium sulfides 	S6Se2	351.665467	NA	MeJP	NA	NA
+8282	Antioxidative peptide	ISELGW	351.671	MH2+	Inhouse_peptide	NA	peptide
+MJ042849	N,N'-Bis(2,2,2-trichloro-1-hydroxyethyl)urea 	C5H6Cl6N2O3	351.850958	NA	MeJP	NA	NA
+C14699	1-Hydroxychlordene	C10H6Cl6O	351.855	NA	KEGG	NA	NA
+MJ042850	Bismuth iodide oxide (BiIO) 	BiIO	351.879766	NA	MeJP	NA	NA
+MJ042851	1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3,5-Dibromo, Et ester 	C10H10Br2O4	351.894584	NA	MeJP	NA	NA
+MJ042852	1-Bromo-3,4,7,8-tetrachloro-3,7-dimethyl-1,5-octadiene 	C10H13BrCl4	351.895473	NA	MeJP	NA	NA
+MJ042853	8-Bromo-1,3,4,7-tetrachloro-3,7-dimethyl-1,5-octadiene 	C10H13BrCl4	351.895473	NA	MeJP	NA	NA
+MJ042854	Violacene 	C10H13BrCl4	351.895473	NA	MeJP	NA	NA
+C17107	Violacene	C10H13BrCl4	351.8955	NA	KEGG	NA	NA
+MJ042855	1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane 	C14H9Cl5	351.914688	NA	MeJP	NA	NA
+MetaCyc03117	1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane [DDT;]	C14H9CL5	351.914689	50-29-3	metacyc	NA	NA
+C04623	1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane	C14H9Cl5	351.9147	NA	KEGG	NA	NA
+C14187	1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane	C14H9Cl5	351.9147	NA	KEGG	NA	NA
+MJ042856	6-Bromo-1-ethyl-?-carboline; 8-Bromo 	C13H10Br2N2	351.921073	NA	MeJP	NA	NA
+MJ042857	6,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one; Bis(hydrogen sulfate) 	C10H8O10S2	351.955887	NA	MeJP	NA	NA
+MJ042858	Bis(8-quinolinolato-N1,O8)zinc 	C18H12N2O2Zn	352.019024	NA	MeJP	NA	NA
+MJ042859	Thelephoric acid 	C18H8O8	352.021917	NA	MeJP	NA	NA
+FL2FAANSS001	5,7,4'-Trihydroxyflavanone 7-sulfate	C15H12O8S	352.02528	263369-39-7	knapsack	NA	NA
+MJ042860	Asperxanthone; 10-O-De-Me, 10-O-sulfate 	C15H12O8S	352.025288	NA	MeJP	NA	NA
+C14346	Bisphenol A bis(chloroformate)	C17H14Cl2O4	352.0269	NA	KEGG	NA	NA
+HMDB03173	Petunidin	C16H13ClO7	352.034973	NA	HMDB2010	NA	NA
+MJ042861	Chloromonilinic acid B 	C16H13ClO7	352.03498	NA	MeJP	NA	NA
+MJ042862	Antibiotic 8U-207 	C11H16N2O7S2	352.039892	NA	MeJP	NA	NA
+C06187	Arbutin 6-phosphate	C12H17O10P	352.0559	NA	KEGG	NA	NA
+MJ042863	Arbutin 6-phosphate 	C12H17O10P	352.055933	NA	MeJP	NA	NA
+MetaCyc03118	arbutin-6-phosphate [arbutin-6-p;arbutin 6-phosphate;arbutin-6P;]	C12H17O10P1	352.055933	NA	metacyc	NA	NA
+C09216	Daphnoretin	C19H12O7	352.0583	NA	KEGG	NA	NA
+C15095	Coumestrol diacetate	C19H12O7	352.0583	NA	KEGG	NA	NA
+FLIFHXNF0001	12a-Hydroxydolineone	C19H12O7	352.0583	28617-71-2	knapsack	NA	NA
+MJ042864	12a-Hydroxydolineone 	C19H12O7	352.058302	NA	MeJP	NA	NA
+MJ042865	4,5',8'-Trihydroxy-5-methyl-3,7'-bicoumarin 	C19H12O7	352.058302	NA	MeJP	NA	NA
+MJ042866	Edgeworthin; 6-Me ether 	C19H12O7	352.058302	NA	MeJP	NA	NA
+MJ042867	Phlebiarubrone; 3',4',4''-Trihydroxy 	C19H12O7	352.058302	NA	MeJP	NA	NA
+MJ042868	Halazepam 	C17H12ClF3N2O	352.059025	NA	MeJP	NA	NA
+MJ042869	?-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid 	C12H16O12	352.064175	NA	MeJP	NA	NA
+MJ042870	4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate 	C12H16O12	352.064176	NA	MeJP	NA	NA
+MJ042871	4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate 	C12H16O12	352.064176	NA	MeJP	NA	NA
+MetaCyc03119	4-(4-deoxy-&beta;-D-gluc-4-enuronosyl)-galacturonate [4-(4-deoxy-&beta;-D-gluc-4-enuronosyl)-D-galacturonate;]	C12H16O12	352.064176	NA	metacyc	NA	NA
+C04733	4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate	C12H16O12	352.0642	NA	KEGG	NA	NA
+C06118	4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate	C12H16O12	352.0642	NA	KEGG	NA	NA
+CJneg0548	Ascorbic acid [2M-H]-	C12H15O12	352.064725	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0548	Ascorbic acid [2M-H]-	C12H15O12	352.064725	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ042872	2,2',4,4',6-Pentahydroxy-6'-methylbenzophenone; 2,2',4-Tri-Me ether, 5-chloro 	C17H17ClO6	352.071365	NA	MeJP	NA	NA
+MJ042873	Byakangelicin, 3'-Deoxy, 3'-chloro 	C17H17ClO6	352.071365	NA	MeJP	NA	NA
+MJ042874	Griseofulvin 	C17H17ClO6	352.071365	NA	MeJP	NA	NA
+C06686	Griseofulvin	C17H17ClO6	352.0714	NA	KEGG	NA	NA
+C11584	4-Methylumbelliferone glucuronide	C16H16O9	352.0794	NA	KEGG	NA	NA
+MJ042875	Bostrycin; 9?-Hydroxy 	C16H16O9	352.079432	NA	MeJP	NA	NA
+MJ042876	2-Bromo-3-chloro-11-bisabolene-7,10-diol 	C15H26BrClO2	352.08047	NA	MeJP	NA	NA
+MJ042877	3-Bromo-2-chloro-9-bisabolene-7,11-diol 	C15H26BrClO2	352.08047	NA	MeJP	NA	NA
+MJ042878	4-Chlorotryptophan, N-(Carbethoxyacetyl) 	C16H17ClN2O5	352.082599	NA	MeJP	NA	NA
+PJ000472	CCQ 	C11H20N4O5S2	352.0875	NA	PeJP	NA	NA
+FL3FACNP0002	Yinyanghuo E; 5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one	C20H16O6	352.09468	174286-26-1	knapsack	NA	NA
+FL3FALNP0004	Cycloartocarpesin;8-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C20H16O6	352.09468	23806-61-3	knapsack	NA	NA
+FL3FALNR0007	Cyclocommunol;3,8,10-Trihydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C20H16O6	352.09468	145643-96-5	knapsack	NA	NA
+FL5FAANP0001	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone	C20H16O6	352.09468	108803-53-8	knapsack	NA	NA
+FL5FAANP0002	Citrusinol	C20H16O6	352.09468	112516-43-5	knapsack	NA	NA
+FL5FE9NF0001	3,5,6-Trimethoxyfurano[2,3:7,8]flavone	C20H16O6	352.09468	77970-07-1	knapsack	NA	NA
+FLIAACNP0005	Semilicoisoflavone B	C20H16O6	352.09468	129280-33-7	knapsack	NA	NA
+FLIAALNF0002	Lupinisoflavone A	C20H16O6	352.09468	93373-45-6	knapsack	NA	NA
+FLIAALNF0004	Crotarin	C20H16O6	352.09468	109517-69-3	knapsack	NA	NA
+FLIAALNP0002	Licoisoflavone B	C20H16O6	352.09468	66056-30-2	knapsack	NA	NA
+FLIAALNP0003	Parvisoflavone B	C20H16O6	352.09468	50277-02-6	knapsack	NA	NA
+FLIAALNP0004	Parvisoflavone A	C20H16O6	352.09468	50277-01-5	knapsack	NA	NA
+FLIAALNP0012	Sophoraisoflavone A;Allolicoisoflavone B	C20H16O6	352.09468	117204-81-6	knapsack	NA	NA
+FLIE1ANF0001	Bavacoumestan B	C20H16O6	352.09468	129385-64-4	knapsack	NA	NA
+FLIE1ANI0002	Psoralidin oxide	C20H16O6	352.09468	-	knapsack	NA	NA
+FLIE1ANP0006	Bavacoumestan A	C20H16O6	352.09468	129385-63-3	knapsack	NA	NA
+FLIF1LNF0003	Elliptone;Derride	C20H16O6	352.09468	478-10-4	knapsack	NA	NA
+FLIF1LNF0004	Erosone;Isoelliptone	C20H16O6	352.09468	15236-21-2	knapsack	NA	NA
+FLIG1LNI0002	Lupinalbin D	C20H16O6	352.09468	98094-85-0	knapsack	NA	NA
+FLIG1LNI0003	Lupinalbin B	C20H16O6	352.09468	98113-96-3	knapsack	NA	NA
+MJ042879	1,8,9-Anthracenetriol; Triol-form, Tri-Ac 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042880	2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one; 5'-Hydroxy 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042881	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',5-Di-Me ether 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042882	3,5,6-Trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042883	3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042884	4,5-Dihydro-4-(3,4-methylenedioxybenzyl)-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042885	5,7-Dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042886	6-(2,4,5-Trimethoxyphenyl)-7H-furo[3,2-g][1]benzopyran-7-one 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042887	Alpinumisoflavone; 11-Hydroxy(1) 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042888	Alpinumisoflavone; 11-Hydroxy(2) 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042889	Alpinumisoflavone; 3,4-Epoxide 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042890	Alterperylenol; 5,6-Dihydro 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042891	Antibiotic C 122 VI 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042892	Antibiotic SF 2609; Antibiotic SF 2609C 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042893	Bavacoumestan A 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042894	Bavacoumestan B 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042895	Candidusin A 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042896	Citrusinol 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042897	Cladospirone E 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042898	Cladospirone G; 5,8-Diketone 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042899	Cladosporol 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042900	Crotarin 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042901	Cycloartocarpesin 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042902	Cyclocommunol 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042903	Dihydrotaiwanin A 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042904	Elliptone 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042905	Eriosemaone D 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042906	Erosone 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042907	Erythrinin C; 2,3-Didehydro 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042908	Glabone; 3',5'-Dimethoxy 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042909	Konyanin 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042910	Leprapic acid 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042911	Licoisoflavone B 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042912	Lupinalbin B 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042913	Lupinalbin D 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042914	Lupinisoflavone B, 3''-Deoxy, 3'',4''-didehydro 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042915	Pachycarin A 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042916	Pachycarin B 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042917	Parvisoflavone A 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042918	Parvisoflavone B 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042919	Pinastric acid 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042920	Polygamain 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042921	Psoralidin; 2',3'-Epoxide 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042922	Rabelomycin; 8-Me ether 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042923	Rubiginone D2 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042924	Salvianduline E 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042925	Semilicoisoflavone B 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042926	Sophoraisoflavone A 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042927	Stemphyperylenol 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042928	Subelliptenone C 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042929	Subelliptenone D 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042930	Vellokaempferol 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042931	Viridin 	C20H16O6	352.094688	NA	MeJP	NA	NA
+MJ042932	Zuihonin D 	C20H16O6	352.094688	NA	MeJP	NA	NA
+C10880	Savinin	C20H16O6	352.0947	NA	KEGG	NA	NA
+MJ042933	Hyrtiomanzamine 	C18H17N4O2S(+)	352.099396	NA	MeJP	NA	NA
+PJ000473	GSSC 	C11H20N4O7S	352.1053	NA	PeJP	NA	NA
+MJ042934	Telikovinone; 7-Methoxy 	C19H16N2O5	352.105921	NA	MeJP	NA	NA
+C16672	Benzylpenicilloic acid	C16H20N2O5S	352.1093	NA	KEGG	NA	NA
+MJ042935	Capillaridin A 	C24H16O3	352.109944	NA	MeJP	NA	NA
+MJ042936	2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone, O-?-D-Glucopyranoside 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042937	2-Methyl-1,4,5-naphthalenetriol; 4-O-?-D-Glucopyranoside 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042938	5,6-Dihydro-6-(4-hydroxyphenyl)-2H-pyran-2-one, O-?-D-Glucopyranoside 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042939	7-Methyl-1,4,5-naphthalenetriol; 4-O-?-D-Glucopyranoside 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042940	8-?-D-Glucopyranosyl-7-hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042941	Bishopantholide 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042942	Islandic acid II; 1'-O-(3-Methyl-2-butenoyl), Me ester 	C17H20O8	352.115817	NA	MeJP	NA	NA
+MJ042943	Rhamnose; ?-L-Pyranose-form, 2-O-(4-Hydroxycinnamoyl)(E-), 3-Ac 	C17H20O8	352.115817	NA	MeJP	NA	NA
+C09360	Berberastine	C20H18NO5	352.1185	NA	KEGG	NA	NA
+MJ042944	Belactin A 	C17H21ClN2O4	352.118984	NA	MeJP	NA	NA
+MJ042945	Triflupromazine 	C18H19F3N2S	352.122103	NA	MeJP	NA	NA
+MJ042946	1-Cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid 	C20H17FN2O3	352.12232	NA	MeJP	NA	NA
+PJ000474	CCK 	C12H24N4O4S2	352.1239	NA	PeJP	NA	NA
+HMDB01013	Cotinineglucuronide	C16H20N2O7	352.127045	NA	HMDB2010	NA	NA
+FL1C1ANP0008	Pongachalcone II	C21H20O5	352.13107	64173-09-7	knapsack	NA	NA
+FL1CA9NF0001	(+)-Tephrosone;3-Phenyl-1-[(3S,3aS,8aR)-2,3,3a,8a-tetrahydro-3,4-dihydroxy-2,2-dimethylfuro[2,3-b]benzofuran-5-yl]-2-propen-1-one	C21H20O5	352.13107	93753-30-1	knapsack	NA	NA
+FL1CA9NP0009	Epoxyobovatachalcone;4'',5''-Epoxy(6'',6''-dimethyl-4'',5''-dihydropyrano[2'',3'':4',3'])-2'-hydroxy-6'-methoxychalcone	C21H20O5	352.13107	405555-04-6	knapsack	NA	NA
+FL1CBANP0001	Xanthohumol C;6'',6''-Dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone	C21H20O5	352.13107	189299-05-6	knapsack	NA	NA
+FL1CCANP0001	Citrunobin	C21H20O5	352.13107	126026-23-1	knapsack	NA	NA
+FL1CHYNP0001	Demethylpraecanson B	C21H20O5	352.13107	74517-66-1	knapsack	NA	NA
+FL2F1CNI0001	Ovaliflavanone C	C21H20O5	352.13107	75680-31-8	knapsack	NA	NA
+FL2FABNP0001	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C21H20O5	352.13107	509078-09-5	knapsack	NA	NA
+FL3FCANI0001	Artonin U;5-hydroxy-2-(4-Hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C21H20O5	352.13107	123549-17-7	knapsack	NA	NA
+FLIA1CNI0002	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone	C21H20O5	352.13107	82345-38-8	knapsack	NA	NA
+FLIAABNI0001	Gancaonin A;5,7-Dihydroxy-4'-methoxy-6-prenylisoflavone	C21H20O5	352.13107	27762-99-8	knapsack	NA	NA
+FLIAABNI0002	Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone	C21H20O5	352.13107	129145-51-3	knapsack	NA	NA
+FLIABANI0001	5-O-Methyllupiwighteone;7,4'-Dihydroxy-5-methoxy-8-prenylisoflavone	C21H20O5	352.13107	104703-98-2	knapsack	NA	NA
+FLIACANI0001	Gancaonin G;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone	C21H20O5	352.13107	126716-34-5	knapsack	NA	NA
+FLIC1LNP0006	Leiocin	C21H20O5	352.13107	66446-88-6	knapsack	NA	NA
+FLICWXNP0002	Neorauflavene	C21H20O5	352.13107	53734-75-1	knapsack	NA	NA
+FLID1CNI0001	Edunol;3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan	C21H20O5	352.13107	33909-74-9	knapsack	NA	NA
+FLID1CNP0003	Neorautane	C21H20O5	352.13107	36284-97-6	knapsack	NA	NA
+FLIDBANP0001	Edulenanol	C21H20O5	352.13107	76165-14-5	knapsack	NA	NA
+MJ042947	1,3,8-Trihydroxy-6-methyl-2-(3-methyl-2-butenyl)anthraquinone; 3-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042948	1,3,9-Trihydroxy-2-prenylpterocarpan; 6a,11a-Didehydro, 1-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042949	1,3,9-Trihydroxypterocarpan, 3-O-(3-Methyl-2-butenyl), O1-Me 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042950	3',4',7-Trihydroxy-8-prenylflavanone, 3',4'-Methylene ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042951	3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-(3-methyl-2-butenyl) 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042952	3,8,9-Trihydroxy-7-prenylpterocarpene; 8-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042953	4',5,7-Trihydroxy-3'-prenylisoflavone; 4'-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042954	4',5,7-Trihydroxy-6-prenylisoflavone; 4'-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042955	4',5,7-Trihydroxy-6-prenylisoflavone; 7-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042956	4',5,7-Trihydroxy-8-prenylflavone; 7-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042957	4',5,7-Trihydroxy-8-prenylisoflavone; 4'-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042958	4',5,7-Trihydroxy-8-prenylisoflavone; 5-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042959	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?7'-Isomer, 6'-oxo 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042960	Antibiotic M 4 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042961	Artonol A 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042962	Cabenegrin A I; 4'-Deoxy 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042963	Citrunobin 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042964	Edunol 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042965	Garugamblin 2 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042966	Isobavachromene; 3''-Methoxy 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042967	Isobavachromene; 7-Methoxy 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042968	Leiocin 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042969	Mallotus A; Mono-Me ether 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042970	Neorauflavane; 3,4-Didehydro 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042971	Neorautane 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042972	Neorautenol; 13-Methoxy 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042973	Otobain, 5-Methoxy, 7',8'R-didehydro 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042974	Phaseollin; 1-Methoxy 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042975	Phyllamyricoside B; 9'-Deoxy, 7-de(glucosyloxy) 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042976	Piloquinone 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042977	Purpurenone; 7-Methoxy, 5-de-Me 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042978	Sigmoidin H 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042979	Tephrostachin, 7-De-O-Me 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042980	Vismiaquinone 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MJ042981	Xanthohumol C 	C21H20O5	352.131073	NA	MeJP	NA	NA
+MetaCyc03120	xanthohumol C []	C21H20O5	352.131074	NA	metacyc	NA	NA
+C11578	8-(3,3-Dimethylallyl)-3-methylgalangin	C21H20O5	352.1311	NA	KEGG	NA	NA
+C11579	8-(1,1-Dimethylallyl)-3-methylgalangin	C21H20O5	352.1311	NA	KEGG	NA	NA
+MJ042982	Anhydrohapaloxindole A 	C21H21ClN2O	352.134241	NA	MeJP	NA	NA
+C08357	Estradiol-17beta 3-sulfate	C18H24O5S	352.1344	NA	KEGG	NA	NA
+HMDB04448	Estradiol-17beta 3-sulfate	C18H24O5S	352.13443	NA	HMDB2010	NA	NA
+MJ042983	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3-O-Sulfate 	C18H24O5S	352.134444	NA	MeJP	NA	NA
+MJ042984	2-Hydroxy-2-(2-methylpropyl)butanedioic acid, O-?-D-Glucopyranoside 	C14H24O10	352.136946	NA	MeJP	NA	NA
+PJ000475	GNY 	C15H20N4O6	352.1383	NA	PeJP	NA	NA
+MJ042985	5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C20H20N2O4	352.142307	NA	MeJP	NA	NA
+MJ042986	5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C20H20N2O4	352.142307	NA	MeJP	NA	NA
+MJ042987	Leniquinsin 	C20H20N2O4	352.142307	NA	MeJP	NA	NA
+MJ042988	Nareline 	C20H20N2O4	352.142307	NA	MeJP	NA	NA
+MJ042989	Oliveramine 	C20H20N2O4	352.142307	NA	MeJP	NA	NA
+MJ042990	Vobasenal 	C20H20N2O4	352.142307	NA	MeJP	NA	NA
+C15424	Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate	C18H25O5P	352.144	NA	KEGG	NA	NA
+MJ042991	Isochromophilone III 	C19H25ClO4	352.144136	NA	MeJP	NA	NA
+C03292	Mercaptoacetyl-Phe-Leu	C17H24N2O4S	352.1457	NA	KEGG	NA	NA
+MJ042992	3,4-Dibenzyl-5-benzylidene-2(5H)-furanone 	C25H20O2	352.146329	NA	MeJP	NA	NA
+MJ042993	1,11-Dihydroxy-2,8-dioxo-3-eudesmen-12-oic acid, 1-Ac, Me ester 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ042994	4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 13-Me ether, 8-Ac 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ042995	5,8-Dihydro-2,7-dimethyl-1,4-naphthalenediol; 1-O-?-D-Glucopyranoside 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ042996	Coriandrone D 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ042997	Lambicin 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ042998	Malabarolide A1 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ042999	Nordinone; 4,5-Dihydroxy 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ043000	p-Mentha-1,3,5-triene-2,5,8,9,10-pentol; 9-Tigloyl, 2-Me ether, 10-Ac 	C18H24O7	352.152203	NA	MeJP	NA	NA
+MJ043001	5-(4-Aminophenyl)-8,9-dihydro-N,8-dimethyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide 	C19H20N4O3	352.15354	NA	MeJP	NA	NA
+MJ043002	Thalphenine 	C21H22NO4	352.154883	NA	MeJP	NA	NA
+MJ043003	Palmatine 	C21H22NO4	352.154883	NA	MeJP	NA	NA
+MetaCyc03121	palmatine [5,6-dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium;]	C21H22N1O4	352.154883	NA	metacyc	NA	NA
+C05315	Palmatine	C21H22NO4	352.1549	NA	KEGG	NA	NA
+FL1C1ANI0010	4'-O-Methylbavachalcone	C22H24O4	352.16745	41682-53-5	knapsack	NA	NA
+FL1CA9NI0004	Ovalichalcone	C22H24O4	352.16745	62820-10-4	knapsack	NA	NA
+FL1CHYNI0001	Pongagallone A	C22H24O4	352.16745	107585-61-5	knapsack	NA	NA
+FL2FA9NI0016	Candidone	C22H24O4	352.16745	77727-18-5	knapsack	NA	NA
+FL64A9NF0002	Methylhildgardtol A	C22H24O4	352.16745	104777-97-1	knapsack	NA	NA
+FL64A9NP0002	Methylhildgardtol B	C22H24O4	352.16745	104777-99-3	knapsack	NA	NA
+FL64A9NP0003	Xuulanin;2H,(6R,8S)-rel-7,8-Dihydro-5,6-dimethoxy-2,2-dimethyl-8-phenyl-6H-benzo[1,2-b:5,4-b']dipyran	C22H24O4	352.16745	299410-78-9	knapsack	NA	NA
+MJ043004	2',4',6'-Trihydroxy-3'-prenylchalcone; 4',6'-Di-Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043005	2-Methylteretifolione B; Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043006	5,7-Dihydroxy-8-prenylflavanone, Di-Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043007	7-Hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)flavanone, Di-Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043008	7-[2-(3,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran-5-ol, 5-Deoxy, 5'-methoxy, 3',4'-di-Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043009	Hildgardtol A; Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043010	Hildgardtol B; Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043011	Pongagallone A 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043012	Pterosin C, 4-O-(Phenylacetyl) 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043013	Taxamairin A; 11-Me ether 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043014	Virone 	C22H24O4	352.167459	NA	MeJP	NA	NA
+MJ043015	Xuulanin 	C22H24O4	352.167459	NA	MeJP	NA	NA
+C15055	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol	C22H24O4	352.1675	NA	KEGG	NA	NA
+MJ043016	9,11-Eremophiladiene-3,8-diol, 3-[3-(Methylsulfinyl)-2-propenoyl](E-) 	C19H28O4S	352.17083	NA	MeJP	NA	NA
+MJ043017	19-Dehydroyohimbine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043018	19-Epi-3-isoajmalicine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043019	3-Isorauniticine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043020	Ajmalicine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043021	Akuammicine, 11-Methoxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043022	Akuammidine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043023	Akuammigine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043024	Akuammiline; O-De-Ac 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043025	Angusteine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043026	Apodine; Deoxo 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043027	Caracurine VII; Na-Ac 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043028	Chanofruticosine methyl ester; N1-De(methoxycarbonyl) 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043029	Coronaridine, 5-Oxo 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043030	Coronaridine, 6-Oxo 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043031	Corynantheine, O17-De-Me 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043032	Eglandine; 3-Ketone 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043033	Ervatamine; 19,20-Didehydro 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043034	Geissoschizine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043035	Gelsemine; N-Methoxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043036	Henningsiine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043037	Heyneatine; 19-Epimer, demethoxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043038	Hydroxindasol; O-Ac 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043039	Jasminiflorine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043040	Kopsinilam 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043041	Kopsinine; 17?-Hydroxy, 14,15-didehydro 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043042	Lochnericine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043043	Mayumbine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043044	Minovincine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043045	Minovincinine, 19-Epimer, 14,15-didehydro 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043046	Pandine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043047	Perakine; 19-Alcohol 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043048	Pericyclivine; 10-Hydroxy, N1-Me 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043049	Pericyclivine; 10-Methoxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043050	Perivine; 16-Epimer, N4-Me 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043051	Perivine; N4-Me 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043052	Picrinine; Na-Me 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043053	Pleiocarpamine; 16-Hydroxymethyl 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043054	Polyneuridine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043055	Preakuammicine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043056	Precondylocarpine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043057	Quebrachidine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043058	Rauniticine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043059	Retulinal; 12-Hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043060	Retulinal; 16-Epimer, 12-hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043061	Retulinal; 16-Epimer, 16-hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043062	Retuline; 2,16-Didehydro, N-de-Ac, N-hydroxyacetyl 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043063	Roecarboline 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043064	Rosamine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043065	Sarpagine; O17-Ac 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043066	Schizogaline; 10-Methoxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043067	Strictamine; 11-Methoxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043068	Tabersonine, 11-Hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043069	Tabersonine, 19R-Hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043070	Tabersonine, 19S-Hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043071	Tabersonine, N4-Oxide 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043072	Tetrahydroalstonine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043073	Tsilanine; O-De-Me 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043074	Venalstonine; 19?-Hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043075	Venalstonine; 6?,7?-Epoxide 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043076	Vincadifformine, 3-Oxo 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043077	Vincadifformine, 5-Oxo 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043078	Vincamine, 14,15-Didehydro 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043079	Vincamine, 16-Epimer, 14,15-didehydro 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043080	Vincoridine 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043081	Vindolinine; 16?-Hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043082	Vindolinine; 19-Epimer, 16?-hydroxy 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043083	Vindolinine; 19-Epimer, N-oxide 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043084	Vinervine; Me ether 	C21H24N2O3	352.178692	NA	MeJP	NA	NA
+MJ043085	?-Yohimbine, 3(N)-Dehydro 	C21H25N2O3(+)	352.178692	NA	MeJP	NA	NA
+MJ043086	Ochropposinine, 3,4,5,6,18,19-Hexadehydro 	C21H25N2O3(+)	352.178692	NA	MeJP	NA	NA
+MetaCyc03122	geissoschizine []	C21H24N2O3	352.178693	439-66-7	metacyc	NA	NA
+MetaCyc03123	16-hydroxytabersonine []	C21H24N2O3	352.178693	NA	metacyc	NA	NA
+MetaCyc03124	1,2-dihydrovomilenine []	C21H24N2O3	352.178693	NA	metacyc	NA	NA
+C02151	Geissoschizine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C09024	Ajmalicine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C09026	Akuammidine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C09253	Vobasine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C11642	19-Hydroxytabersonine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C11643	16-Hydroxytabersonine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C11676	Lochnericine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C11682	Tetrahydroalstonine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C11683	19-epi-Ajmalicine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C11808	1,2-Dihydrovomilenine	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C15086	3-Allyloxyestra-1,3,5(10),7-tetraene-16,17-dione dioxime	C21H24N2O3	352.1787	NA	KEGG	NA	NA
+C15400	9-Chloro-11beta,17beta-dihydroxy-17-methylandrost-4-en-3-one	C20H29ClO3	352.1805	NA	KEGG	NA	NA
+MJ043087	4-Chloro-3-hydroxy-7,11,15(17)-cembratrien-16,14-olide 	C20H29ClO3	352.180522	NA	MeJP	NA	NA
+MJ043088	Molokinenone 	C20H29ClO3	352.180522	NA	MeJP	NA	NA
+MJ043089	1-[(3-Hydroxyphenyl)sulfonyl]-2-[2-(4-methyl-1-piperidinyl)ethyl]pyrrolidine 	C18H28N2O3S	352.182063	NA	MeJP	NA	NA
+MJ043090	Almokalant 	C18H28N2O3S	352.182063	NA	MeJP	NA	NA
+MJ043091	Diptocarpidine 	C15H32N2O3S2	352.185434	NA	MeJP	NA	NA
+MJ043092	Valomaciclovir 	C15H24N6O4	352.185903	NA	MeJP	NA	NA
+MJ043093	1,10-Epoxy-4-bicyclogermacrene-2,3,14-triol, 3,14-Di-Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043094	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro, di-Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043095	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 15-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043096	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043097	1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043098	1,5,15-Trihydroxy-2,6,10-farnesatrien-12-al; 5-Deoxy, 15-Ac, 14-acetoxy 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043099	1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043100	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043101	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043102	2-Isopropyl-5-(3-methyl-2-butenyl)-1,4-benzenediol; 1-O-?-D-Xylopyranoside 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043103	3,10-Epoxy-3,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043104	3,4,5-Trihydroxybenzoic acid; 3-O-Dodecanoyl 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043105	3,8,10-Trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043106	4,15-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, di-Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043107	6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3,4,5,7-tetrol, 4-Butyl, 5,7-di-Me ether 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043108	7-Hydroxy-14,15,16-trinor-3-clerodene-13,18-dioic acid, Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043109	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3-Hydroxy-2-methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043110	9(12)-Capnellene-2,5,8,10-tetrol, 2,5-Di-Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043111	9(12)-Capnellene-3,8,10,14-tetrol, 3,14-Di-Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043112	9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-(2-Methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043113	ACRL Toxins; ACRL Toxin III 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043114	Gingerdiols; [4]-Gingerdiol, 3,5-Di-Ac 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043115	p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 3-Me ether, 9,10-bis(2-methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+MJ043116	p-Mentha-1,3,5-triene-3,8,9,10-tetrol; 9-(2-Methylbutanoyl), 10-(2-methylpropanoyl) 	C19H28O6	352.188588	NA	MeJP	NA	NA
+C07853	Clidinium	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07854	Transferred to D00716	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07855	Transferred to D00717	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07856	Transferred to D00718	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07857	Transferred to D00719	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07858	Transferred to D00720	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07859	Transferred to D00721	C22H26NO3	352.1913	NA	KEGG	NA	NA
+C07860	Transferred to D00722	C22H26NO3	352.1913	NA	KEGG	NA	NA
+MJ043117	1-(4-Amino-5-chloro-2-methoxyphenyl)-3-(1-butyl-4-piperidinyl)-1-propanone 	C19H29ClN2O2	352.191755	NA	MeJP	NA	NA
+MJ043118	Fortimicin KL1 	C13H28N4O7	352.195799	NA	MeJP	NA	NA
+C17973	Fortimicin KL1	C13H28N4O7	352.1958	NA	KEGG	NA	NA
+MJ043119	1,17-Diisothiocyanato-1,16-heptadecadiene, 1,2-Dihydro 	C19H32N2S2	352.20069	NA	MeJP	NA	NA
+MJ043120	11,17-Dihydroxy-6-methyl-17-(1-propynyl)androsta-1,4,6-trien-3-one 	C23H28O3	352.203844	NA	MeJP	NA	NA
+MJ043121	12-Hydroxycarda-8,14,16,20(22)-tetraenolide 	C23H28O3	352.203844	NA	MeJP	NA	NA
+MJ043122	16-Hydroxy-8-tricosene-4,6,17,19-tetraynoic acid 	C23H28O3	352.203844	NA	MeJP	NA	NA
+MJ043123	3-Hydroxycarda-8,14,16,20(22)-tetraenolide 	C23H28O3	352.203844	NA	MeJP	NA	NA
+MJ043124	8'-Oxo-6,8'-diapo-6-carotenoic acid, Me ester 	C23H28O3	352.203844	NA	MeJP	NA	NA
+MJ043125	Citreomontanin 	C23H28O3	352.203844	NA	MeJP	NA	NA
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR481	Leukotriene E4 F3	NA	352.205325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR481	Leukotriene E4 F3	NA	352.205325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR481	Leukotriene E4 F3	NA	352.205325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR481	Leukotriene E4 F3	NA	352.205325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR481	Leukotriene E4 F3	F3	352.205325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ043126	Posatirelin 	C17H28N4O4	352.211055	NA	MeJP	NA	NA
+MJ043127	Akagerine; Et ether 	C22H28N2O2	352.215078	NA	MeJP	NA	NA
+MJ043128	Anileridine 	C22H28N2O2	352.215078	NA	MeJP	NA	NA
+MJ043129	Brefonalol 	C22H28N2O2	352.215078	NA	MeJP	NA	NA
+MJ043130	Encainide 	C22H28N2O2	352.215078	NA	MeJP	NA	NA
+MJ043131	Minovine; natural-form 	C22H28N2O2	352.215078	NA	MeJP	NA	NA
+MJ043132	Pleiocarpinine 	C22H28N2O2	352.215078	NA	MeJP	NA	NA
+MJ043133	Na-Methyl-2?,16?-dihydroakuammicine Nb-methosalt 	C22H29N2O2(+)	352.215078	NA	MeJP	NA	NA
+C06978	Encainide	C22H28N2O2	352.2151	NA	KEGG	NA	NA
+MJ043134	(5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043135	(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043136	15-Keto-prostaglandin F2alpha 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043137	Prostaglandin E2 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043138	Prostaglandin H2 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043139	Thromboxane A2 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043140	1,10:4,5-Diepoxy-6,11-germacranediol, 6-(2-Methyl-2-butenoyl) 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043141	1,16,18,20-Tetrahydroxy-2,7(19),10,14-phytatetraen-6-one 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043142	10(20)-Grayanotoxene-3,5,6,14,16-pentol 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043143	10(20)-Leucothene-3,5,6,14,16-pentol 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043144	10,11,12-Trihydroxy-5,8,14,17-eicosatetraenoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043145	11,15-Dihydroxy-9-oxo-4,13-prostadienoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043146	11,15-Dihydroxy-9-oxo-5,13-prostadienoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043147	11-Hydroxy-14-(3,5-dihydroxy-2-methylcyclopentyl)-9-tetradecen-12-ynoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043148	13,14,15-Trihydroxy-5,8,11,17-eicosatetraenoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043149	13,16-Epoxy-3-clerodene-12,14,15,18-tetrol, 18-Aldehyde 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043150	15-Grayanotoxene-3,5,6,10,14-pentol 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043151	16,17,18-Trihydroxy-19-kauranoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043152	17,18,19-Trihydroxy-13-labden-16,15-olide 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043153	2,6,10,14-Phytatetraene-1,18,19-triol, 6,7-Dihydro, 18,19-dicarboxylic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043154	2,6,10-Farnesatrien-1-oic acid; 2-Acetoxy-3-hydroxypropyl ester 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043155	2,6,10-Farnesatrien-1-oic acid; 3-Acetoxy-2-hydroxypropyl ester 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043156	2,7,19-Trihydroxy-14,15-dinor-8(17)-labden-13-one, 19-Ac 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043157	3,15,16-Trihydroxy-7-isopimaren-18-oic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043158	3,4,11-Trihydroxy-7,15(17)-cembradien-16,12-olide 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043159	3,4-Dihydroxy-13-cleroden-15,16-olide, 16?-Hydroxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043160	3,5,12-Trihydroxy-6,8,10,14-eicosatetraenoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043161	3,5,16-Trihydroxy-13-halimen-15,16-olide 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043162	3,6,14,16-Tetrahydroxy-5,10-seco-1(10)-kauren-5-one 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043163	3,8-Dihydroxy-17-oxo-13-labden-15-oic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043164	3-Clerodene-15,18,19-triol, 15,18-Dicarboxylic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043165	3-Hydroxyportulol ether; 3-Deoxy, 19-oxo 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043166	4,11,12-Trihydroxy-7-cembren-16,3-olide, 15,17-Didehydro 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043167	4,6,8-Trihydroxy-11-capnosene-2,10-dione 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043168	4,8,11-Trihydroxy-12-cembren-16,3-olide, 15,17-Didehydro 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043169	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 19-Hydroxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043170	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 20-Hydroxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043171	5,14,15-Trihydroxy-6,8,10,12-eicosatetraenoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043172	5,6,15-Trihydroxy-7,9,11,13-eicosatetraenoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043173	6,7,17-Trihydroxy-19-kauranoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043174	7,12,14,18-Tetrahydroxy-15-kauranone 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043175	7,16,17-Trihydroxy-19-kauranoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043176	7,18-Dihydroxy-8(17)-labden-15-oic acid, 18-Carboxylic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043177	7,8,14-Trihydroxy-15-isopimaren-18-oic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043178	7,8-Dihydroxy-14,15-dinor-11-labden-13-one, 6?-Acetoxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043179	7,8-Dihydroxy-14,15-dinor-11-labden-13-one, 6?-Hydroxy, 7-Ac 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043180	7,8:14,16-Diepoxy-2,3,15-pimaranetriol 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043181	7,8:9,13-Diepoxy-17-hydroxy-15-labdanoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043182	7,9,11-Trihydroxy-8(14)-abieten-18-oic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043183	8(14)-Abietene-7,12,13,18-tetrol, 18-Carboxylic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043184	8(14)-Abietene-7,13,15,18-tetrol, 18-Carboxylic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043185	8,13-Epoxy-2,3-seco-14-labdene-2,3-dioic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043186	8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043187	8,14,15-Trihydroxy-13(16)-labden-19-oic acid, 14-Ketone 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043188	9,11,15-Trihydroxyprost-5-en-13-ynoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043189	9,11-Dihydroxy-15-oxo-5,13-prostadienoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043190	9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043191	9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043192	9,13:15,16-Diepoxy-7,15-dihydroxy-6-labdanone 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043193	9,15-Dihydroxy-11-oxo-5,13-prostadienoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043194	9,16,17-Trihydroxy-19-kauranoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043195	9-Grayanotoxene-3,5,6,14,16-pentol 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043196	Acanthoaustralide; 17-Hydroxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043197	Baclinic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043198	Camporic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043199	Cinncassiol D1 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043200	Cinncassiol D4 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043201	Levuglandin D2 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043202	Levuglandin E2 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043203	Membrenone B 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043204	Monocyclofarnesoic acid; (1-Acetoxy-3-hydroxy-2-propyl) ester (S-) 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043205	Narbomycin; Aglycone 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043206	Neorustmicin C 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043207	Neorustmicin D 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043208	Portulal; 5?-Hydroxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043209	Portulene; ?2-Isomer, 4?-hydroxy 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043210	Prostacyclin 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043211	Prostaglandin H2 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MJ043212	Strictanonoic acid 	C20H32O5	352.224974	NA	MeJP	NA	NA
+MetaCyc03125	(5Z)-(15S)-11-&alpha;-hydroxy-9,15-dioxoprosta-13-enoate []	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03126	(5Z,13E)-(15S)-9&alpha;,11&alpha;-epoxy-15-hydroxythromboxa-5,13-dienoate [thromboxane A2;(5Z, 9&alpha;,11 &alpha;,13E,15S)-9,11-epoxy-15-hydroxythromboxa- 5,13-dien-1-oic acid;]	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03127	(5Z)-(15S)-11-&alpha;-hydroxy-9,15-dioxoprostanoate []	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03128	(5Z,13E)-(15S)-11,15-dihydroxy-9-oxoprosta-5,13-dienoate [Dinoprostone;(5Z,13E)-(15S)-11&alpha;,15-dihydroxy-9-oxoprosta-5,13-dienoate;]	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03129	(5Z,13E)-(15S)-11-&alpha;,15-dihydroxy-9-oxoprost-13-enoate [(5Z,13E)-(15S)-11&alpha;,15-dihydroxy-9-oxoprosta-5,13-dienoate;Prostglandin E2;Dinoprostone;]	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03130	(5Z,13E)-(15S)-11-&alpha;,15-dihydroxy-9-oxoprosta-5,13-dienoate []	C20H32O5	352.224974	363-24-6	metacyc	NA	NA
+MetaCyc03131	(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14- tetraenoate [20-OH-Leukotriene B4;20-OH-LTB4;(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14- tetraenoate;]	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03132	(13E)-11-&alpha;-hydroxy-9,15-dioxoprost-13-enoate []	C20H32O5	352.224974	NA	metacyc	NA	NA
+MetaCyc03133	prostaglandin-H2 [(5Z, 13E)-(15S)-9&alpha;,11&alpha;-epidioxy-15-hydroxyprosta-5,13-dienoate;]	C20H32O5	352.224974	42935-17-1	metacyc	NA	NA
+MetaCyc03134	(5z,13e)-(15s)-9-&alpha;,15-dihydroxy-11-oxoprosta-5,13-dienoate [prostaglandin D2;]	C20H32O5	352.224974	41598-07-6	metacyc	NA	NA
+MetaCyc03135	(5z,13e)-(15s)-6,9-&alpha;-epoxy-11-&alpha;,15-dihydroxyprosta-5,13-dienoate [prostaglandin I2;prostacyclin;PGI2;]	C20H32O5	352.224974	35121-78-9	metacyc	NA	NA
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	HMDB	NA	NA
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	Inhouse_PFEM	NA	NA
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR135	lipoxinA4	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR136	lipoxinB4	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR187	ThromboxaneA2	C20H32O5	352.224975	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01220	Prostaglandin E2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01320	(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01335	Prostaglandin I2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01381	Prostaglandin H2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01403	Prostaglandin D2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01452	Thromboxane A2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01509	20-Hydroxy-leukotriene B4	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB02122	Prostaglandin F3a	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB02132	8-iso-PGF3a	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB02363	Levuglandin E2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB02400	Levuglandin D2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB02776	13,14-Dihydro-15-keto-PGE2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB04240	15-Keto-prostaglandin F2a	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB04385	Lipoxin A4	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB05077	8-iso-15-keto-PGF2a	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB05082	Lipoxin B4	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB05844	8-isoprostaglandin E2	C20H32O5	352.224976	NA	HMDB2010	NA	NA
+HMDB01509	20-Hydroxy-leukotriene B4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01509	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01220	Dinoprostone	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01220	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01452	Thromboxane A2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01452	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02776	13,14-Dihydro-15-keto-PGE2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02776	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04240	15-Keto-prostaglandin F2alpha	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB04240	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04385	Lipoxin A4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB04385	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01509	20-Hydroxy-leukotriene B4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01509	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01509	20-Hydroxy-leukotriene B4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01509	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01220	Dinoprostone	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01220	HMDB	NA	NA
+HMDB01320	(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01320	HMDB	NA	NA
+HMDB01335	Prostaglandin I2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01335	HMDB	NA	NA
+HMDB01381	Prostaglandin H2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01381	HMDB	NA	NA
+HMDB01403	Prostaglandin D2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01403	HMDB	NA	NA
+HMDB01452	Thromboxane A2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01452	HMDB	NA	NA
+HMDB01509	20-Hydroxy-leukotriene B4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01509	HMDB	NA	NA
+HMDB02122	Prostaglandin F3alpha	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02122	HMDB	NA	NA
+HMDB02132	8-iso-PGF3alpha	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02132	HMDB	NA	NA
+HMDB02363	Levuglandin E2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02363	HMDB	NA	NA
+HMDB02400	Levuglandin D2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02400	HMDB	NA	NA
+HMDB02776	13,14-Dihydro-15-keto-PGE2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02776	HMDB	NA	NA
+HMDB04240	15-Keto-prostaglandin F2alpha	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB04240	HMDB	NA	NA
+HMDB04385	Lipoxin A4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB04385	HMDB	NA	NA
+HMDB05077	8-iso-15-keto-PGF2alpha	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB05077	HMDB	NA	NA
+HMDB05082	Lipoxin B4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB05082	HMDB	NA	NA
+HMDB05844	8-isoprostaglandin E2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB05844	HMDB	NA	NA
+HMDB01220	Dinoprostone	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01220	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01452	Thromboxane A2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB01452	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02776	13,14-Dihydro-15-keto-PGE2	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB02776	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04240	15-Keto-prostaglandin F2alpha	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB04240	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04385	Lipoxin A4	C20H32O5	352.22498	http://www.hmdb.ca/metabolites/HMDB04385	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01220	Dinoprostone	C20H32O5	352.22498	HMDB01220	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01320	(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid	C20H32O5	352.22498	HMDB01320	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01335	Prostaglandin I2	C20H32O5	352.22498	HMDB01335	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01381	Prostaglandin H2	C20H32O5	352.22498	HMDB01381	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01403	Prostaglandin D2	C20H32O5	352.22498	HMDB01403	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01452	Thromboxane A2	C20H32O5	352.22498	HMDB01452	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01509	20-Hydroxy-leukotriene B4	C20H32O5	352.22498	HMDB01509	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02122	Prostaglandin F3alpha	C20H32O5	352.22498	HMDB02122	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02132	8-iso-PGF3alpha	C20H32O5	352.22498	HMDB02132	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02363	Levuglandin E2	C20H32O5	352.22498	HMDB02363	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02400	Levuglandin D2	C20H32O5	352.22498	HMDB02400	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02776	13,14-Dihydro-15-keto-PGE2	C20H32O5	352.22498	HMDB02776	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04240	15-Keto-prostaglandin F2alpha	C20H32O5	352.22498	HMDB04240	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04385	Lipoxin A4	C20H32O5	352.22498	HMDB04385	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05077	8-iso-15-keto-PGF2alpha	C20H32O5	352.22498	HMDB05077	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05082	Lipoxin B4	C20H32O5	352.22498	HMDB05082	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05844	8-isoprostaglandin E2	C20H32O5	352.22498	HMDB05844	PFEM_hmdb_metabocards_official	NA	NA
+EUR135	lipoxinA4	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR136	lipoxinB4	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR187	thromboxaneA2	C20H32O5	352.225	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR135	lipoxinA4	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR136	lipoxinB4	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR187	thromboxaneA2	C20H32O5	352.225	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR135	lipoxinA4	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR136	lipoxinB4	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR187	thromboxaneA2	C20H32O5	352.225	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR135	lipoxinA4	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR136	lipoxinB4	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR161	15-keto-Prostaglandin-F2a(15-keto-PGF2a)	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR172	ProstaglandinD2(PGD2)	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR176	ProstaglandinE2(PGE2)	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR181	ProstaglandinF3a(PGF3a)	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR183	ProstaglandinH2(PGH2)	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR184	ProstaglandinI2(prostacyclin)	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+EUR187	thromboxaneA2	C20H32O5	352.225	Wishlist	Inhousejuil11	NA	NA
+C00427	Prostaglandin H2	C20H32O5	352.225	NA	KEGG	NA	NA
+C00584	Prostaglandin E2	C20H32O5	352.225	NA	KEGG	NA	NA
+C00585	Protein tyrosine	C10H10N2O3R2	352.225	NA	KEGG	NA	NA
+C00696	Prostaglandin D2	C20H32O5	352.225	NA	KEGG	NA	NA
+C01312	Prostaglandin I2	C20H32O5	352.225	NA	KEGG	NA	NA
+C02198	Thromboxane A2	C20H32O5	352.225	NA	KEGG	NA	NA
+C04654	(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate	C20H32O5	352.225	NA	KEGG	NA	NA
+C04671	(5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate	C20H32O5	352.225	NA	KEGG	NA	NA
+C04853	20-OH-Leukotriene B4	C20H32O5	352.225	NA	KEGG	NA	NA
+C04855	alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-	C20H34NO16R	352.225	NA	KEGG	NA	NA
+C05960	15-Keto-prostaglandin F2alpha	C20H32O5	352.225	NA	KEGG	NA	NA
+C06314	Lipoxin A4	C20H32O5	352.225	NA	KEGG	NA	NA
+C06315	Lipoxin B4	C20H32O5	352.225	NA	KEGG	NA	NA
+C06476	Prostaglandin F3alpha	C20H32O5	352.225	NA	KEGG	NA	NA
+C11997	Narbonolide	C20H32O5	352.225	NA	KEGG	NA	NA
+C13807	Levuglandin E2	C20H32O5	352.225	NA	KEGG	NA	NA
+C13808	Levuglandin D2	C20H32O5	352.225	NA	KEGG	NA	NA
+C17652	Cinncassiol D1	C20H32O5	352.225	NA	KEGG	NA	NA
+C17656	Cinncassiol D4	C20H32O5	352.225	NA	KEGG	NA	NA
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR474	15ketoProstaglandinF2? F1	NA	352.225125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ043213	Betoxycaine 	C19H32N2O4	352.236207	NA	MeJP	NA	NA
+MJ043214	1-(3-Hydroxyphenyl)-12-phenyl-2-dodecanone 	C24H32O2	352.24023	NA	MeJP	NA	NA
+MJ043215	5-(12-Phenyl-8-dodecenyl)-1,3-benzenediol 	C24H32O2	352.24023	NA	MeJP	NA	NA
+MJ043216	Plakotenin 	C24H32O2	352.24023	NA	MeJP	NA	NA
+MJ043217	Quinbolone 	C24H32O2	352.24023	NA	MeJP	NA	NA
+MJ043218	Moxaprindine 	C23H32N2O	352.251463	NA	MeJP	NA	NA
+MJ043219	Isopropamide(1+) 	C23H33N2O(+)	352.251463	NA	MeJP	NA	NA
+HMDB11539	MG(0:0/18:3(6Z,9Z,12Z)/0:0)	C21H36O4	352.261353	NA	HMDB2010	NA	NA
+HMDB11540	MG(0:0/18:3(9Z,12Z,15Z)/0:0)	C21H36O4	352.261353	NA	HMDB2010	NA	NA
+HMDB11569	MG(18:3(6Z,9Z,12Z)/0:0/0:0)	C21H36O4	352.261353	NA	HMDB2010	NA	NA
+HMDB11570	MG(18:3(9Z,12Z,15Z)/0:0/0:0)	C21H36O4	352.261353	NA	HMDB2010	NA	NA
+MJ043220	Aphidicolin 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043221	1,7-Nonadecadiene-2,3-dicarboxylic acid 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043222	15,16-Epoxy-3-clerodene-7,15,18-triol, 15-Me ether 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043223	2,3-Dihydroxy-4(18)-cleroden-15-oic acid, Me ester 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043224	2-(7-Hexadecenyl)-3-methyl-2-butenedioic acid 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043225	3-(15-Hydroxyhexadecyl)-4-methyl-2,5-furandione 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043226	4,6,10-Triethyl-4,6-dihydroxy-8-methyl-2,7,11-tetradecatrienoic acid 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043227	4,6-Diethyl-6-(4-ethyl-2-methyl-1,5-octadienyl)-1,2-dioxane-3-acetic acid 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043228	4,6-Diethyl-6-(4-ethyl-2-methyl-5-octenyl)-3,6-dihydro-1,2-dioxin-3-acetic acid 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043229	7,15-Dihydroxy-8-labden-17-oic acid, 7-Me ether 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043230	Doxaprost 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043231	Ebelactone B 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043232	Gingerdiols; [10]-Gingerdiol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043233	Glycerol 1-alkanoates; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043234	Pregnane-2,3,16,20-tetrol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043235	Pregnane-3,17,20,21-tetrol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043236	Pretomentol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043237	Prezoapatanol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043238	Raspailynes; Isoraspailyne A 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043239	Raspailynes; Raspailyne A 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043240	Tomentanol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+MJ043241	Tomentol 	C21H36O4	352.261359	NA	MeJP	NA	NA
+C09137	Montanol	C21H36O4	352.2614	NA	KEGG	NA	NA
+C14879	17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-	C25H36O	352.2766	NA	KEGG	NA	NA
+MJ043242	10-Tricosenoic acid 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043243	16-Tricosenoic acid 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043244	17-Tricosenoic acid 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043245	18-Tricosenoic acid 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043246	4,6-Tricosanedione 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043247	6,8-Tricosanedione 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043248	8-Heneicosen-1-ol; Ac 	C23H44O2	352.33413	NA	MeJP	NA	NA
+MJ043249	Tetracosanal 	C24H48O	352.370516	NA	MeJP	NA	NA
+MJ043250	2-Methyltetracosane 	C25H52	352.406901	NA	MeJP	NA	NA
+MJ043251	9-Octylheptadecane 	C25H52	352.406901	NA	MeJP	NA	NA
+MJ043252	Pentacosane 	C25H52	352.406901	NA	MeJP	NA	NA
+3426	human beta-casein fr,56-61	QSLVYP	352.6785	MH2+	Inhouse_peptide	NA	peptide
+C13478	Luliconazole	C14H9Cl2N3S2	352.9615	NA	KEGG	NA	NA
+C13479	Transferred to D01981	C14H9Cl2N3S2	352.9615	NA	KEGG	NA	NA
+C13481	Transferred to D01983	C14H9Cl2N3S2	352.9615	NA	KEGG	NA	NA
+MJ043253	2'-Deoxy-5-iodocytidine 	C9H12IN3O4	352.987249	NA	MeJP	NA	NA
+MJ043254	Nitromersol 	C7H5HgNO3	352.997568	NA	MeJP	NA	NA
+MJ043255	Maleylsulfathiazole 	C13H11N3O5S2	353.014011	NA	MeJP	NA	NA
+MJ043256	Eudistomin C; Deoxy 	C14H16BrN3OS	353.019745	NA	MeJP	NA	NA
+MJ043257	Diclofenac; Carboxymethyl ester 	C16H13Cl2NO4	353.022163	NA	MeJP	NA	NA
+MJ043258	Quinfamide 	C16H13Cl2NO4	353.022163	NA	MeJP	NA	NA
+MJ043259	Butizide 	C11H16ClN3O4S2	353.027075	NA	MeJP	NA	NA
+MJ043260	4-[[(4-Bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]benzonitrile 	C16H12BrN5	353.027608	NA	MeJP	NA	NA
+MJ043261	Daltroban 	C16H16ClNO4S	353.048856	NA	MeJP	NA	NA
+MJ043262	Flosulide 	C16H13F2NO4S	353.053335	NA	MeJP	NA	NA
+MJ043263	Meclofenamic acid; Ethoxymethyl ester 	C17H17Cl2NO3	353.058548	NA	MeJP	NA	NA
+MJ043264	Besulpamide 	C15H16ClN3O3S	353.060089	NA	MeJP	NA	NA
+MJ043265	Glyparamide 	C15H16ClN3O3S	353.060089	NA	MeJP	NA	NA
+CJneg0549	Ascorbic acid [(2M-H)]- (13C)	C1113CH15O12	353.068125	C18rt(min)=1.04 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0549	Ascorbic acid [(2M-H)]- (13C)	C1113CH15O12	353.068125	C18rt(min)=1.04 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000476	CCE 	C11H19N3O6S2	353.0715	NA	PeJP	NA	NA
+C01304	2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone	C9H16N5O8P	353.0736	NA	KEGG	NA	NA
+C01306	N-Acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosaminyl-R	C16H27N2O11R	353.0736	NA	KEGG	NA	NA
+C01308	[3-Methyl-2-oxobutanoate dehydrogenase	C4H7N2O6PR2	353.0736	NA	KEGG	NA	NA
+MJ043266	2,5-Diamino-6-hydroxy-4-(5'-phosphoribosylamino)-pyrimidine 	C9H16N5O8P	353.073649	NA	MeJP	NA	NA
+MetaCyc03136	2,5-diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate [2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine;DARP;]	C9H16N5O8P1	353.073649	NA	metacyc	NA	NA
+C11741	SB 221284	C16H14F3N3OS	353.081	NA	KEGG	NA	NA
+C15664	B 823-08	C16H14F3N3OS	353.081	NA	KEGG	NA	NA
+C09634	Rugosinone	C19H15NO6	353.0899	NA	KEGG	NA	NA
+MJ043267	1,2,6,7,9-Pentahydroxydibenz[cd,f]indol-4(5H)one; 1,2-Methylene, 6,7,9-tri-Me ether 	C19H15NO6	353.089937	NA	MeJP	NA	NA
+MJ043268	Acenocoumarol 	C19H15NO6	353.089937	NA	MeJP	NA	NA
+MJ043269	Aristored 	C19H15NO6	353.089937	NA	MeJP	NA	NA
+MJ043270	Rugosinone 	C19H15NO6	353.089937	NA	MeJP	NA	NA
+MJ043271	Stylopine, 13,14-Didehydro, 1,8?-dihydroxy 	C19H15NO6	353.089937	NA	MeJP	NA	NA
+MJ043272	Yagonine; 3'-O-De-Me 	C19H15NO6	353.089937	NA	MeJP	NA	NA
+MJ043273	4-Hydroxybenzyl isothiocyanate; O-(4-O-Acetyl-?-L-rhamnopyranoside) 	C16H19NO6S	353.093308	NA	MeJP	NA	NA
+MJ043274	Nuclotixene 	C21H20ClNS	353.100498	NA	MeJP	NA	NA
+PJ000477	TCM 	C12H23N3O5S2	353.1079	NA	PeJP	NA	NA
+MJ043275	Englitazone 	C20H19NO3S	353.108564	NA	MeJP	NA	NA
+MJ043276	2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-(6-O-acetyl-?-D-glucopyranoside) 	C16H19NO8	353.111066	NA	MeJP	NA	NA
+MJ043277	Sambucus nigra Degraded cyanogenic glycosides 	C16H19NO8	353.111066	NA	MeJP	NA	NA
+MetaCyc03137	2-oxindole-3-acetyl-hexose []	C16H19N1O8	353.111067	NA	metacyc	NA	NA
+MJ043278	N-[[3-[3-Fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide 	C16H20FN3O3S	353.12094	NA	MeJP	NA	NA
+C02138	Boc-Asn-OPhNO2	C15H19N3O7	353.1223	NA	KEGG	NA	NA
+PJ000478	GDY 	C15H19N3O7	353.1223	NA	PeJP	NA	NA
+C05189	Protopine	C20H19NO5	353.1263	NA	KEGG	NA	NA
+C09599	Parfumine	C20H19NO5	353.1263	NA	KEGG	NA	NA
+C12242	Chelidonine	C20H19NO5	353.1263	NA	KEGG	NA	NA
+HMDB03920	Protopine	C20H19NO5	353.12631	http://www.hmdb.ca/metabolites/HMDB03920	HMDB	NA	NA
+HMDB03920	Protopine	C20H19NO5	353.12631	HMDB03920	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03920	Protopine	C20H19NO5	353.126312	NA	HMDB2010	NA	NA
+MJ043279	Protopine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043280	3,12-Dihydro-6,11-dihydroxy-10-methoxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043281	8-Hydroxyberberine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043282	8-Oxopseudopalmatine; O2-De-Me 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043283	?-Amino-?-(2-carboxycyclopropyl)-9H-xanthene-9-propanoic acid 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043284	Buxifoline, N-Formyl 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043285	Canadine, 8-Oxo 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043286	Chelidonine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043287	Citracridone III; 5-Me ether 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043288	Corydalisol, 1''-Aldehyde 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043289	Dauriporphine; 2,3-Dihydro 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043290	Dioxamine; N-Me 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043291	Duometacin 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043292	Fumariline, (8R)-Alcohol 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043293	Fumariline, 8-Alcohol 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043294	Gouregine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043295	Guattescidine; 11-Methoxy, O9-Me 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043296	Honyumine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043297	Hypecorine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043298	Imeluteine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043299	Isochelidonine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043300	Isoparfumine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043301	Lennoxamine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043302	Nantenine, N-De-Me, N-formyl 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043303	Ocominarine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043304	Ophiocarpinone 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043305	Papaveraldine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043306	Parfumine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043307	Protopine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043308	Pseudoprotopine 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043309	Pyranofoline 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043310	Sevanine; ?-Methoxy, Me ether 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043311	Sonodione 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043312	Thalimicrinone 	C20H19NO5	353.126322	NA	MeJP	NA	NA
+MJ043313	Anisocycline; 4,10-Di-O-de-Me 	C20H20NO5(+)	353.126322	NA	MeJP	NA	NA
+MJ043314	Papaveraldine; 3'-O-De-Me, N-Me 	C20H20NO5(+)	353.126322	NA	MeJP	NA	NA
+MJ043315	Stylopine, 13?-Hydroxy, N-Me 	C20H20NO5(+)	353.126322	NA	MeJP	NA	NA
+MetaCyc03138	protopine []	C20H19N1O5	353.126323	130-86-9	metacyc	NA	NA
+MJ043316	Amopyroquine 	C20H20ClN3O	353.129489	NA	MeJP	NA	NA
+MJ043317	Dambullin; 12-Hydroxy 	C17H23NO5S	353.129693	NA	MeJP	NA	NA
+MetaCyc03139	cotinine-glucuronide []	C16H21N2O7	353.134876	NA	metacyc	NA	NA
+HMDB01013	Cotinineglucuronide	C16H21N2O7	353.13489	http://www.hmdb.ca/metabolites/HMDB01013	HMDB	NA	NA
+HMDB01013	Cotinineglucuronide	C16H21N2O7	353.13489	HMDB01013	PFEM_hmdb_metabocards_official	NA	NA
+PJ000479	GMF 	C16H23N3O4S	353.1409	NA	PeJP	NA	NA
+MJ043318	Dibupyrone 	C16H23N3O4S	353.140926	NA	MeJP	NA	NA
+MJ043319	Antibiotic AB 3217A 	C17H23NO7	353.147452	NA	MeJP	NA	NA
+MJ043320	Hackelidine; 7-Ac 	C17H23NO7	353.147452	NA	MeJP	NA	NA
+MJ043321	4-[[[[2-[4,5-Dihydro-2-(4-pyridinyl)-1H-imidazol-1-yl]ethyl]amino]carbonyl]amino]benzoic acid 	C18H19N5O3	353.148789	NA	MeJP	NA	NA
+MJ043322	Sopitazine 	C20H23N3OS	353.156183	NA	MeJP	NA	NA
+8035	synthetic peptide	PHT	353.157	antibacterial	Inhouse_peptide	NA	peptide
+PJ000480	ATY 	C16H23N3O6	353.1587	NA	PeJP	NA	NA
+C09221	Melosatin A	C21H23NO4	353.1627	NA	KEGG	NA	NA
+MJ043323	4-(5-Phenylpentyl)-1H-indole-2,3-dione; 6,7-Dimethoxy 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043324	Capitavine; 2,3-Dihydro 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043325	Carquinostatin A; 10S-Hydroxy 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043326	Cavidine 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043327	Dehydroglaucine 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043328	Flavodilol 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043329	Isopiline, Me ether, N-Ac 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043330	N-Methylsecoglaucine; O1,O2-Di-de-Me, 1,2-methylene ether 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043331	Thalicthuberine 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043332	Thalictricavine 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043333	Thalictrifoline 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043334	Uvariopsine; 8-Methoxy 	C21H23NO4	353.162708	NA	MeJP	NA	NA
+MJ043335	Canadine, N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043336	Cheilanthifoline, Me ether, N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043337	Dicentrine, N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043338	Eschscholtzidine, N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043339	Nantenine, N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043340	Papaverine; N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043341	Reframoline, Me ether, N-Me 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043342	Takatonine 	C21H24NO4(+)	353.162708	NA	MeJP	NA	NA
+MJ043343	2-Ethyl-6-hydroxymethyl-3,4,5-piperidinetriol, 1''-O-?-D-Glucopyranoside 	C14H27NO9	353.168581	NA	MeJP	NA	NA
+C16447	Dihydrozeatin riboside	C15H23N5O5	353.1699	NA	KEGG	NA	NA
+PJ000481	PTH 	C15H23N5O5	353.1699	NA	PeJP	NA	NA
+MJ043344	6-(4-Hydroxy-3-methylbutylamino)purine, 9-?-D-Ribofuranosyl 	C15H23N5O5	353.169918	NA	MeJP	NA	NA
+MJ043345	Makalika ester; 5-Oxo 	C19H28ClNO3	353.175771	NA	MeJP	NA	NA
+C17972	Fortimicin AO	C13H27N3O8	353.1798	NA	KEGG	NA	NA
+MJ043346	Fortimicin AO 	C13H27N3O8	353.179814	NA	MeJP	NA	NA
+C10380	Rosmarinine	C18H27NO6	353.1838	NA	KEGG	NA	NA
+MJ043347	Axillarine; 1'-Deoxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043348	Axillarine; 12-Deoxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043349	Axillarine; Stereoisomer, 1'-deoxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043350	Bisline 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043351	Crotalarine 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043352	Nemorensine; N-Oxide 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043353	Platyphylline; (15E)-Isomer, N-oxide 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043354	Platyphylline; 14?-Hydroxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043355	Platyphylline; 18-Hydroxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043356	Platyphylline; 1?-Hydroxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043357	Platyphyhylline; N-Oxide 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043358	Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 1'''-Deoxy 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043359	Rosmarinine 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043360	Sarracine; N-Oxide 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043361	Senecicaudatin; O-(3-Methyl-2-butenoyl) 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043362	Trichodesmine 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043363	Trixolane 	C18H27NO6	353.183837	NA	MeJP	NA	NA
+MJ043364	Epiroprim 	C19H23N5O2	353.185175	NA	MeJP	NA	NA
+C12490	Butenafine hydrochloride	C23H27N	353.191	NA	KEGG	NA	NA
+MJ043365	Carbazomadurin A 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043366	Cyclostachine A 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043367	Dioxaphetyl butyrate 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043368	Holadienine; 14,15-Didehydro, 18-oxo, 16?-hydroxy 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043369	N-(2,6-Dimethylphenyl)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxamide 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043370	Neocarazostatin A; 1'-Deoxy 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043371	Oxpheneridine 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043372	Puupehenone; 15-Cyano 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043373	Spiradine D; 11-Oxo 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043374	Vincetene 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+MJ043375	Zocainone 	C22H27NO3	353.199093	NA	MeJP	NA	NA
+C08711	Spiredine	C22H27NO3	353.1991	NA	KEGG	NA	NA
+PJ000482	VVH 	C16H27N5O4	353.2063	NA	PeJP	NA	NA
+C07199	Methysergide	C21H27N3O2	353.2103	NA	KEGG	NA	NA
+C10936	N-(2,6-Dimethylphenyl)-4-[[(diethylamino)acetyl]amino]benzamide	C21H27N3O2	353.2103	NA	KEGG	NA	NA
+MJ043376	2-[2-(Diethylamino)ethyl]-N,N'-diphenylpropanediamide 	C21H27N3O2	353.210327	NA	MeJP	NA	NA
+MJ043377	Methysergide 	C21H27N3O2	353.210327	NA	MeJP	NA	NA
+MJ043378	Spermidine; N,N''-Dibenzoyl 	C21H27N3O2	353.210327	NA	MeJP	NA	NA
+MJ043379	Hodorine 	C19H31NO5	353.220223	NA	MeJP	NA	NA
+MJ043380	Isostemonidine 	C19H31NO5	353.220223	NA	MeJP	NA	NA
+MJ043381	Stemonidine 	C19H31NO5	353.220223	NA	MeJP	NA	NA
+MJ043382	3-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1H-indole; 8',9'-Dihydroxy 	C23H31NO2	353.235479	NA	MeJP	NA	NA
+MJ043383	Methadol, Ac 	C23H31NO2	353.235479	NA	MeJP	NA	NA
+MJ043384	Motretinide 	C23H31NO2	353.235479	NA	MeJP	NA	NA
+MJ043385	Proadifen 	C23H31NO2	353.235479	NA	MeJP	NA	NA
+C08012	Levomethadyl acetate	C23H31NO2	353.2355	NA	KEGG	NA	NA
+C08013	Transferred to D00840	C23H31NO2	353.2355	NA	KEGG	NA	NA
+MJ043386	Tipropidil 	C20H35NO2S	353.23885	NA	MeJP	NA	NA
+MJ043387	Tridihexethyl(1+), Chloride 	C21H36ClNO	353.248542	NA	MeJP	NA	NA
+MJ043388	2-(3-Hydroxy-1-octenyl)-?-oxo-1-piperidineheptanoic acid 	C20H35NO4	353.256608	NA	MeJP	NA	NA
+MJ043389	2-(Aminomethyl)-2-propenoic acid; N-(2-Oxopentadecanoyl), Me ester 	C20H35NO4	353.256608	NA	MeJP	NA	NA
+MJ043390	4-(3-Hydroxy-1-octenyl)-1-methyl-2-oxo-3-pyrrolidineheptanoic acid 	C20H35NO4	353.256608	NA	MeJP	NA	NA
+MJ043391	Tumonoic acid A; Me ester 	C20H35NO4	353.256608	NA	MeJP	NA	NA
+C07055	Isopropamide	C23H33N2O	353.2593	NA	KEGG	NA	NA
+MJ043392	Cyclomicrobuxeine K; N-De-Me 	C24H35NO	353.271864	NA	MeJP	NA	NA
+MJ043393	Cyclosuffrobuxinine M 	C24H35NO	353.271864	NA	MeJP	NA	NA
+MJ043394	(4-Dodecylbenzyl)trimethylammonium(1+); Chloride 	C22H40ClN	353.284927	NA	MeJP	NA	NA
+MJ043395	2-(Aminomethyl)-2-propenoic acid; N-(14-Methylpentadecanoyl), Me ester 	C21H39NO3	353.292994	NA	MeJP	NA	NA
+MJ043396	2-(Aminomethyl)-2-propenoic acid; N-Hexadecanoyl, Me ester 	C21H39NO3	353.292994	NA	MeJP	NA	NA
+MJ043397	1,1,3,3-Tetrabromo-1-propene 	C3H2Br4	353.689	NA	MeJP	NA	NA
+MJ043398	2,3-Dibromo-3-iodo-2-propenoic acid 	C3HBr2IO2	353.738797	NA	MeJP	NA	NA
+MJ043399	3,3-Dibromo-2-iodo-2-propenoic acid 	C3HBr2IO2	353.738797	NA	MeJP	NA	NA
+C15244	7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran	C12H3Cl5O2	353.8576	NA	KEGG	NA	NA
+C18099	1,2,3,7,8-Pentachlorodibenzodioxin	C12H3Cl5O2	353.8576	NA	KEGG	NA	NA
+MJ043400	2,2'-Thiobis[4,6-dichlorophenol] 	C12H6Cl4O2S	353.88426	NA	MeJP	NA	NA
+C07967	Bithionol	C12H6Cl4O2S	353.8843	NA	KEGG	NA	NA
+C13748	9-Methyl-7-bromoeudistomin D	C12H8Br2N2O	353.9003	NA	KEGG	NA	NA
+MJ043401	Pyrrolomycin B 	C11H6Cl4N2O3	353.913252	NA	MeJP	NA	NA
+MJ043402	1,4-Bis(3-bromo-1-oxopropyl)piperazine 	C10H16Br2N2O2	353.957853	NA	MeJP	NA	NA
+C07362	Pipobroman	C10H16Br2N2O2	353.9579	NA	KEGG	NA	NA
+MJ043403	2'-Deoxy-5-iodouridine 	C9H11IN2O5	353.971264	NA	MeJP	NA	NA
+MetaCyc03140	2-carboxy-3-keto-D-arabinitol-1,5-bisphosphate []	C6H12O13P2	353.975313	NA	metacyc	NA	NA
+MJ043404	2,4-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H12Cl2O5	354.006178	NA	MeJP	NA	NA
+MJ043405	2,4-Dichloro-1,5,8-trihydroxy-6-methylxanthone; 5,8-Di-Me ether 	C16H12Cl2O5	354.006178	NA	MeJP	NA	NA
+MJ043406	2,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H12Cl2O5	354.006178	NA	MeJP	NA	NA
+MJ043407	2,7-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H12Cl2O5	354.006178	NA	MeJP	NA	NA
+MJ043408	4,5-Dichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H12Cl2O5	354.006178	NA	MeJP	NA	NA
+MJ043409	Diploicin; 4,9-Bisdechloro 	C16H12Cl2O5	354.006178	NA	MeJP	NA	NA
+MJ043410	Urefibrate 	C15H12Cl2N2O4	354.017412	NA	MeJP	NA	NA
+MJ043411	3-(3,4-Dihydroxyphenyl)-2,7,8-trihydroxydibenzofuran-1,4-dione 	C18H10O8	354.037567	NA	MeJP	NA	NA
+MJ043412	5,7-Dihydroxy-3',4'-methylenedioxyflavone; 5,7-Di-O-formyl 	C18H10O8	354.037567	NA	MeJP	NA	NA
+MJ043413	Dothistromin; 2-Deoxy, 2,3-didehydro 	C18H10O8	354.037567	NA	MeJP	NA	NA
+MJ043414	Euphorbetin 	C18H10O8	354.037567	NA	MeJP	NA	NA
+MJ043415	Isoeuphorbetin 	C18H10O8	354.037567	NA	MeJP	NA	NA
+MJ043416	Variegatorubin; 3'-Deoxy 	C18H10O8	354.037567	NA	MeJP	NA	NA
+MJ043417	Xipamide 	C15H15ClN2O4S	354.044105	NA	MeJP	NA	NA
+C06499	WIN56291	C16H16Cl2N2O3	354.0538	NA	KEGG	NA	NA
+MJ043418	Phenolsulfonphthalein 	C19H14O5S	354.056194	NA	MeJP	NA	NA
+C12600	Phenolsulfonphthalein	C19H14O5S	354.0562	NA	KEGG	NA	NA
+C12601	Transferred to D01201	C19H14O5S	354.0562	NA	KEGG	NA	NA
+C12602	Transferred to D01202	C19H14O5S	354.0562	NA	KEGG	NA	NA
+MJ043419	5-Amino-6-(5'-phosphoribosylamino)uracil 	C9H15N4O9P	354.057664	NA	MeJP	NA	NA
+MetaCyc03141	5-amino-6-(5'-phosphoribosylamino)uracil [5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate;]	C9H15N4O9P1	354.057665	NA	metacyc	NA	NA
+C01268	5-Amino-6-(5'-phosphoribosylamino)uracil	C9H15N4O9P	354.0577	NA	KEGG	NA	NA
+MJ043420	1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 1-O-(4-Hydroxycinnamoyl)(E-) 	C15H14O10	354.058696	NA	MeJP	NA	NA
+MJ043421	Cestric acid 	C15H14O10	354.058696	NA	MeJP	NA	NA
+MetaCyc03142	2-caffeoylisocitrate []	C15H14O10	354.058697	NA	metacyc	NA	NA
+C02927	2-Caffeoylisocitrate	C15H14O10	354.0587	NA	KEGG	NA	NA
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR302	Gluthation oxyde F4	NA	354.059175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR302	Gluthation oxyde F4	NA	354.059175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR302	Gluthation oxyde F4	NA	354.059175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR302	Gluthation oxyde F4	NA	354.059175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR302	Glutathione oxidized F4	F4	354.059175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ043422	5a,6-Dehydrobisdethio-3,10a-bis(methylthio)gliotoxin 	C15H18N2O4S2	354.070798	NA	MeJP	NA	NA
+C07952	Chlorpromazine hydrochloride	C17H19ClN2S	354.0724	NA	KEGG	NA	NA
+MJ043423	Palythine-serine; 7-O-Sulfate 	C11H18N2O9S	354.0733	NA	MeJP	NA	NA
+FL2FECNF0001	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone	C19H14O7	354.07395	78017-93-3	knapsack	NA	NA
+FLIB1LNF0005	Erosenone	C19H14O7	354.07395	66280-22-6	knapsack	NA	NA
+MJ043424	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 3'-Hydroxy, 2-deoxy, 4-Me ether 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043425	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 3'-Hydroxy, 4-deoxy, 2-Me ether 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043426	3-Acetyl-4,5-dihydroxyanthraquinone-2-acetic acid; Me ester 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043427	5-Methoxysterigmatocystin 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043428	6-Aldehydoisoophiopogone A 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043429	7-Acetyl-1,3,6-trihydroxyanthraquinone; 3-Me ether, 6-Ac 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043430	Antibiotic C 122 VI; 2-(or3-) Hydroxy, O-de-Me 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043431	Antibiotic WS 5995B; 3'-Hydroxy 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043432	Aspertoxin 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043433	Austrocorticin 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043434	Dermolactone 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043435	Erosenone 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043436	Milletenin B; 5-Hydroxy 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MJ043437	Rabelomycin; 5-Hydroxy 	C19H14O7	354.073952	NA	MeJP	NA	NA
+MetaCyc03143	5-methoxysterigmatocystin []	C19H14O7	354.073953	NA	metacyc	NA	NA
+MJ043438	Kumausyne 	C17H23BrO3	354.083057	NA	MeJP	NA	NA
+MJ043439	Laurencin 	C17H23BrO3	354.083057	NA	MeJP	NA	NA
+MJ043440	Niazidin 	C15H18N2O6S	354.088557	NA	MeJP	NA	NA
+C01313	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-	C15H18N2O6S	354.0886	NA	KEGG	NA	NA
+MJ043441	3-[[(2,4-Dichloro-6-methylphenyl)methyl]amino]-4-[(1,1-dimethylpropyl)amino]-3-cyclobutene-1,2-dione 	C17H20Cl2N2O2	354.090183	NA	MeJP	NA	NA
+MJ043442	Russupteridine yellow IV 	C12H14N6O7	354.092396	NA	MeJP	NA	NA
+MJ043443	Foeniculacin 	C20H18O4S	354.092579	NA	MeJP	NA	NA
+CJpos0767	Chlorogenic acid [(M+H)]+	C16H19O9	354.094575	C18rt(min)=5.52 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0767	Chlorogenic acid [(M+H)]+	C16H19O9	354.094575	C18rt(min)=5.52 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ043444	1-O-Caffeoylquinic acid 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043445	3-O-Caffeoylquinic acid 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043446	4,6-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-O-?-D-Glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043447	4-O-Caffeoylquinic acid 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043448	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 5-O-?-D-Glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043449	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-?-D-Glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043450	5-O-Caffeoylquinic acid 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043451	6,7-Dihydroxy-4H-1-benzopyran-4-one; 6-Me ether, 7-?-D-glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043452	6,7-Dihydroxy-4H-1-benzopyran-4-one; 6-Me ether, 7-O-?-D-galactopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043453	6,8-Dihydroxy-3-methyl-1H-2-benzopyran-1-one; 8-O-?-D-Glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043454	6-Glucosyl-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043455	6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043456	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-Me ether, 7-O-?-D-glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043457	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-?-D-Glucopyranoside 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043458	Biflorin 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043459	Isobiflorin 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043460	Chlorogenate 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MJ043461	Scopolin 	C16H18O9	354.095082	NA	MeJP	NA	NA
+MetaCyc03144	trans-5-O-caffeoyl-D-quinate []	C16H18O9	354.095082	NA	metacyc	NA	NA
+MetaCyc03145	scopolin []	C16H18O9	354.095082	531-44-2	metacyc	NA	NA
+MetaCyc03146	chlorogenate []	C16H18O9	354.095082	327-97-9	metacyc	NA	NA
+MetaCyc03147	caffeoylquinate [chlorogenate;chlorogenic acid;]	C16H18O9	354.095082	NA	metacyc	NA	NA
+HMDB02336	Biflorin	C16H18O9	354.09509	http://www.hmdb.ca/metabolites/HMDB02336	HMDB	NA	NA
+HMDB03164	Chlorogenic acid	C16H18O9	354.09509	http://www.hmdb.ca/metabolites/HMDB03164	HMDB	NA	NA
+HMDB02336	Biflorin	C16H18O9	354.09509	HMDB02336	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03164	Chlorogenic acid	C16H18O9	354.09509	HMDB03164	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02336	Biflorin	C16H18O9	354.095093	NA	HMDB2010	NA	NA
+HMDB03164	Chlorogenic acid	C16H18O9	354.095093	NA	HMDB2010	NA	NA
+C00852	Chlorogenate	C16H18O9	354.0951	NA	KEGG	NA	NA
+C01527	Scopolin	C16H18O9	354.0951	NA	KEGG	NA	NA
+C08996	Biflorin	C16H18O9	354.0951	NA	KEGG	NA	NA
+C17147	Neochlorogenic acid	C16H18O9	354.0951	NA	KEGG	NA	NA
+JH221	Chlorogenic acid [M+H]+	C16H18O9	354.0952	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH221	Chlorogenic acid [M+H]+	C16H18O9	354.0952	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH221	Chlorogenic acid [M+H]+	C16H18O9	354.0952	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH221	Chlorogenic acid [M+H]+	C16H18O9	354.0952	11.5	Inhousejuil11	NA	NA
+CJneg0550	Chlorogenic acid [(M-H)]-	C16H17O9	354.095625	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0550	Chlorogenic acid [(M-H)]-	C16H17O9	354.095625	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ043462	2,2'-(9,10-Anthrylenedimethylene)bis(isothiourea) 	C18H18N4S2	354.097287	NA	MeJP	NA	NA
+C11035	S-53482	C19H15FN2O4	354.1016	NA	KEGG	NA	NA
+MJ043463	Nostoclide I; Mono-dechloro 	C21H19ClO3	354.102272	NA	MeJP	NA	NA
+MJ043464	3-(Hydroxymethyl)-1,4-dimethyl-3,6-bis(methylthio)-6-(phenylmethyl)-2,5-piperazinedione 	C16H22N2O3S2	354.107183	NA	MeJP	NA	NA
+C10207	Cyclokievitone	C20H18O6	354.1103	NA	KEGG	NA	NA
+C10486	Licoisoflavone A	C20H18O6	354.1103	NA	KEGG	NA	NA
+C10498	Luteone	C20H18O6	354.1103	NA	KEGG	NA	NA
+C10627	Hinokinin	C20H18O6	354.1103	NA	KEGG	NA	NA
+C10882	Sesamin	C20H18O6	354.1103	NA	KEGG	NA	NA
+FL1B1CNF0001	Castillene C	C20H18O6	354.11033	126585-62-4	knapsack	NA	NA
+FL1CACNR0001	3',4'-Dihydrooxepino-6'-hydroxybutein	C20H18O6	354.11033	104668-91-9	knapsack	NA	NA
+FL1DHYNF0002	Ponganone IX;3-(1,3-Benzodioxol-5-yl)-3-methoxy-1-(4-methoxy-5-benzofuranyl)-1-propanone	C20H18O6	354.11033	142608-95-5	knapsack	NA	NA
+FL2FACNF0001	Velloeriodictyol	C20H18O6	354.11033	152075-97-3	knapsack	NA	NA
+FL2FACNP0001	Sigmoidin C	C20H18O6	354.11033	101923-93-7	knapsack	NA	NA
+FL2FALNP0001	Sanggenon F	C20H18O6	354.11033	85889-03-8	knapsack	NA	NA
+FL2FALNP0002	Sanggenon H	C20H18O6	354.11033	86450-80-8	knapsack	NA	NA
+FL3FAANI0005	Dinklagin C;(+)-5,7-Dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C20H18O6	354.11033	487010-53-7	knapsack	NA	NA
+FL3FAANI0006	Ephedroidin;(+)- 5,7-Dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C20H18O6	354.11033	215596-01-3	knapsack	NA	NA
+FL3FAANP0008	Dinklagin B;(+)-3,4-Dihydro-3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C20H18O6	354.11033	487010-50-4	knapsack	NA	NA
+FL3FACNI0001	5,7,3',4'-Tetrahydroxy-8-prenylflavone	C20H18O6	354.11033	14926-12-6	knapsack	NA	NA
+FL3FACNI0003	Gancaonin O;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O6	354.11033	129145-53-5	knapsack	NA	NA
+FL3FALNI0002	Albanin A	C20H18O6	354.11033	73343-42-7	knapsack	NA	NA
+FL3FALNI0003	Artocarpesin;2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O6	354.11033	02/09/3162	knapsack	NA	NA
+FL4DAANF0001	Shuterol	C20H18O6	354.11033	105377-76-2	knapsack	NA	NA
+FL4DAANF0002	3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone	C20H18O6	354.11033	124901-84-8	knapsack	NA	NA
+FL4DAANP0001	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C20H18O6	354.11033	76265-12-8	knapsack	NA	NA
+FL4DE9NF0001	3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone	C20H18O6	354.11033	179003-89-5	knapsack	NA	NA
+FL5FAANI0001	Licoflavonol;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O6	354.11033	60197-60-6	knapsack	NA	NA
+FL5FAANI0004	Noranhydroicaritin;8-Prenylkaempferol;De-O-methylanhydroicaritin;Desmethylicaritin;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O6	354.11033	28610-31-3	knapsack	NA	NA
+FL5FAANI0007	Isolicoflavonol;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one	C20H18O6	354.11033	94805-83-1	knapsack	NA	NA
+FL5FF9NI0005	Platanetin	C20H18O6	354.11033	40451-44-3	knapsack	NA	NA
+FLIAAANF0001	Erythrinin C	C20H18O6	354.11033	63807-85-2	knapsack	NA	NA
+FLIAAANF0002	Lupinisoflavone C	C20H18O6	354.11033	93373-47-8	knapsack	NA	NA
+FLIAAANI0008	Hydroxywighteone;5,7,4'-Trihydroxy-6-(3-hydroxymethyl-2-butenyl)isoflavone	C20H18O6	354.11033	104691-87-4	knapsack	NA	NA
+FLIAAANI0010	Gancaonin C;5,7,4'-Trihydroxy-8-(4-hydroxyprenyl)isoflavone	C20H18O6	354.11033	124596-87-8	knapsack	NA	NA
+FLIAACNI0003	5,7,3',4'-Tetrahydroxy-6-prenylisoflavone	C20H18O6	354.11033	66777-71-7	knapsack	NA	NA
+FLIAACNI0004	Gancaonin L;5,7,3',4'-Tetrahydroxy-8-prenylisoflavone	C20H18O6	354.11033	129145-50-2	knapsack	NA	NA
+FLIAALNI0001	Licoisoflavone A	C20H18O6	354.11033	66056-19-7	knapsack	NA	NA
+FLIAALNI0002	Luteone (isoflavone)	C20H18O6	354.11033	41743-56-0	knapsack	NA	NA
+FLIAALNI0003	2,3-Dehydrokievitone;5,7,2',4'-Tetrahydroxy-8-prenylisoflavone	C20H18O6	354.11033	74161-25-4	knapsack	NA	NA
+FLIAALNI0009	Fremontin;5,7,2',4'-Tetrahydroxy-5'-(1''',1'''-dimethylallyl)isoflavone	C20H18O6	354.11033	124166-27-4	knapsack	NA	NA
+FLIB1LNF0003	Nepseudin	C20H18O6	354.11033	20848-57-1	knapsack	NA	NA
+FLIB1LNF0004	Ambonone	C20H18O6	354.11033	76165-17-8	knapsack	NA	NA
+FLIBALNP0001	Licoisoflavanone	C20H18O6	354.11033	66067-26-3	knapsack	NA	NA
+FLIBALNP0002	Cyclokievitone	C20H18O6	354.11033	74175-82-9	knapsack	NA	NA
+FLIDHXNF0005	Glyceofuran	C20H18O6	354.11033	78873-52-6	knapsack	NA	NA
+FLIFHZNF0001	Elliptinol	C20H18O6	354.11033	123154-79-0	knapsack	NA	NA
+MJ043465	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2?-Hydroxy-3-methyl-3-butenyl) 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043466	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(3-Hydroxymethyl-2-butenyl)(E-) 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043467	1,6,8-Trihydroxy-3-propanoylanthraquinone; Tri-Me ether 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043468	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, Tri-Ac 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043469	2',4',5,7-Tetrahydroxy-3'-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043470	2',4',5,7-Tetrahydroxy-3-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043471	2',4',5,7-Tetrahydroxy-5'-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043472	2',4',5,7-Tetrahydroxy-6-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043473	2',4',5,7-Tetrahydroxy-6-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043474	2',4',5,7-Tetrahydroxy-8-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043475	2,3-Dihydro-3,5,6-trimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043476	2,5,7-Trihydroxy-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl), 7-O-(3-methyl-2-butenyl) 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043477	2,5,7-Trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2-O-(4-Hydroxyphenyl) 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043478	2-Methoxy-8-(3,4-dimethoxyphenyl)-1,4-naphthoquinone; 6-Methoxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043479	3',4',5,7-Tetrahydroxy-5'-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043480	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043481	3',4',5,7-Tetrahydroxy-6-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043482	3',4',5,7-Tetrahydroxy-6-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043483	3',4',5,7-Tetrahydroxy-8-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043484	3',4',5,7-Tetrahydroxy-8-prenylisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043485	3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, 3',4'-Methylene, 4-Me ether 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043486	3,4',5,7-Tetrahydroxy-3'-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043487	3,4',5,7-Tetrahydroxy-6-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043488	3,4',5,7-Tetrahydroxy-8-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043489	3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043490	3,5,7,8-Tetrahydroxy-6-prenylflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043491	4',5,7-Trihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)flavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043492	4',5,7-Trihydroxy-6-prenylisoflavone; 4''-Hydroxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043493	4',5,7-Trihydroxy-6-prenylisoflavone; ?3''-Isomer, 2''-hydroxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043494	4',5,7-Trihydroxy-8-prenylflavone; ?3''-Isomer, 2''-hydroxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043495	4-(3,4-Dimethoxybenzyl)-4,5-dihydro-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone, 4'-O-De-Me 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043496	4-Hydroxy-2,3-dimethyl-5,6-methylenedioxy-4-piperonyl-1-tetralone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043497	7-Hydroxy-3-(4-hydroxybenzyl)-4-chromanone; Di-Ac 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043498	8-(1,1-Dimethyl-2-propenyl)-3,4',5,7-tetrahydroxyflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043499	Acanthotoxin 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043500	Antibiotic SM 196A; 1-Ketone, 6a,12a-epoxide 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043501	Averythrin 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043502	Castillene B; 3',4'-Methylenedioxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043503	Curcumin; O-De-Me 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043504	Cyclokievitone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043505	Dihydrocarpanone; 1',7'-Didehydro 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043506	Elliptone, 12R-Alcohol 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043507	Erythrinin C 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043508	Ficuisoflavone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043509	Fremontin 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043510	Gancaonin C 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043511	Garveatin A quinone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043512	Glyasperin F 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043513	Glyceofuran 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043514	Hydroxyotobain; 7-Oxo 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043515	Hydroxytuberosone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043516	Licoisoflavone B; 2,3-Dihydro 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043517	Lupinisoflavone C 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043518	Nepseudin 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043519	Palmarumycin CP5 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043520	Peperomin D 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043521	Ponganone IX 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043522	Salvireptanolide 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043523	Sanggenon F 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043524	Sanggenon H 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043525	Sesamin 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043526	Shuterol 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043527	Sigmoidin C 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043528	TAEMC 161 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043529	Terphenyllin; 3-Hydroxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043530	Teuvincenone A; 15,16-Didehydro, 11,14-quinone 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043531	Velloeriodictyol 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043532	Viridin; 3?-Alcohol 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043533	Vitrofolal B 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043534	Yukovanol 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043535	?-Citromycinone; 6,10-Dideoxy,11-hydroxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043536	?-Citromycinone; 7-Deoxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MJ043537	?-Rhodomycinone; 7,10-Dideoxy 	C20H18O6	354.110338	NA	MeJP	NA	NA
+MetaCyc03148	2,3-dehydrokievitone []	C20H18O6	354.110338	NA	metacyc	NA	NA
+MetaCyc03149	phaseoluteone [licoisoflavone A;3'-prenyl-5,7,2',4'-tetrahydroxyisoflavone;]	C20H18O6	354.110338	NA	metacyc	NA	NA
+MetaCyc03150	luteone [6-isopentenyl-2'-hydroxygenistein;]	C20H18O6	354.110338	NA	metacyc	NA	NA
+MJ043538	Rhopaladin A; Debromo, 6-deoxy 	C21H14N4O2	354.111675	NA	MeJP	NA	NA
+MJ043539	Allithiamine 	C15H22N4O2S2	354.118417	NA	MeJP	NA	NA
+MJ043540	18-Bromo-5,17-octadecadien-15-ynoic acid 	C18H27BrO2	354.119442	NA	MeJP	NA	NA
+MJ043541	18-Bromo-5,17-octadecadien-7-ynoic acid 	C18H27BrO2	354.119442	NA	MeJP	NA	NA
+MJ043542	Colletochlorin A, 6'-Ketone 	C18H23ClO5	354.123401	NA	MeJP	NA	NA
+MJ043543	Oudemansin; Oudemansin B 	C18H23ClO5	354.123401	NA	MeJP	NA	NA
+MJ043544	3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide 	C18H24Cl2N2O	354.126568	NA	MeJP	NA	NA
+MJ043545	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Ac 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043546	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Ac 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043547	10-Hydroxy-8-decene-4,6-diynoic acid, Me ester, O-?-D-glucopyranoside 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043548	3,4,7,8,15-Scirpenepentol, 8-Ketone, 4-Ac 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043549	3-(3-Hydroxypropyl)phthalide; O-?-D-Glucopyranoside 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043550	4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8-Ac 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043551	8-Hydroxy-9-decene-4,6-diynoic acid, O-?-D-Glucopyranoside, Me ester 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043552	Isoshinanolone, 4-O-?-D-Glucopyranoside 	C17H22O8	354.131467	NA	MeJP	NA	NA
+MJ043553	1,2-Bis(5-methoxy-1H-benzimidazol-2-yl)-1,2-ethanediol 	C18H18N4O4	354.132805	NA	MeJP	NA	NA
+MJ043554	1,3,5-Triphenyl-1H-pyrazole-4-acetic acid 	C23H18N2O2	354.136827	NA	MeJP	NA	NA
+MJ043555	3,4-Diphenyl-1H-pyrazole-5-acetic acid; 1-Ph 	C23H18N2O2	354.136827	NA	MeJP	NA	NA
+MJ043556	Fosfazinomycin B 	C10H23N6O6P	354.141669	NA	MeJP	NA	NA
+C10206	Cristacarpin	C21H22O5	354.1467	NA	KEGG	NA	NA
+C10574	Futoquinol	C21H22O5	354.1467	NA	KEGG	NA	NA
+C16417	Xanthohumol	C21H22O5	354.1467	NA	KEGG	NA	NA
+C17499	Notopterol	C21H22O5	354.1467	NA	KEGG	NA	NA
+FL1C1ANI0005	Xanthoangelol D	C21H22O5	354.14672	132998-83-5	knapsack	NA	NA
+FL1C1ANP0020	Xanthoangelol H;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-4'-methoxychalcone	C21H22O5	354.14672	265652-89-9	knapsack	NA	NA
+FL1CA9NP0003	Helichromanochalcone	C21H22O5	354.14672	72247-81-5	knapsack	NA	NA
+FL1CA9NP0010	2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone	C21H22O5	354.14672	554408-29-6	knapsack	NA	NA
+FL1CA9NP0012	6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone	C21H22O5	354.14672	140158-54-9	knapsack	NA	NA
+FL1CBANI0001	Xanthohumol	C21H22O5	354.14672	569-83-5	knapsack	NA	NA
+FL1CBANP0002	Isodehydrocycloxanthohumol hydrate;6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone	C21H22O5	354.14672	250603-94-2	knapsack	NA	NA
+FL1CCANI0001	Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone	C21H22O5	354.14672	265659-35-6	knapsack	NA	NA
+FL1CHYNI0007	3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone	C21H22O5	354.14672	474539-46-3	knapsack	NA	NA
+FL1CRTNF0001	Licoagrochalcone D;5''-(2-Hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':4,3]-4'-hydroxy-2-methoxychalcone	C21H22O5	354.14672	325144-69-2	knapsack	NA	NA
+FL1CRTNI0003	Licochalcone D	C21H22O5	354.14672	144506-15-0	knapsack	NA	NA
+FL1CRTNI0004	Licoagrochalcone C;3-Prenyl-4,3',4'-trihydroxy-2-methoxychalcone	C21H22O5	354.14672	325144-68-1	knapsack	NA	NA
+FL1DE9NP0001	Flemistrictin D	C21H22O5	354.14672	84435-30-3	knapsack	NA	NA
+FL2FA9NI0019	Tephroleocarpin A	C21H22O5	354.14672	138590-93-9	knapsack	NA	NA
+FL2FAANI0019	5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone	C21H22O5	354.14672	261776-60-7	knapsack	NA	NA
+FL2FAANI0020	5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone	C21H22O5	354.14672	261776-59-4	knapsack	NA	NA
+FL2FABNI0002	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone	C21H22O5	354.14672	120727-36-8	knapsack	NA	NA
+FL2FBANI0001	Isoxanthohumol(Sophora)	C21H22O5	354.14672	70872-29-6	knapsack	NA	NA
+FL2FCANI0001	5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone	C21H22O5	354.14672	98621-32-0	knapsack	NA	NA
+FL2FCANI0002	5-Hydroxy-7-methoxy-4'-prenyloxyflavanone	C21H22O5	354.14672	14117-55-6	knapsack	NA	NA
+FL2FCANI0003	Mundulea flavanone B;7-O-Methyl-8-prenylnaringenin;7-Methyl-4'-hydroxyglabranin	C21H22O5	354.14672	201805-81-4	knapsack	NA	NA
+FL2FE9NI0001	Agrandol;5,7-Dihydroxy-6-methoxy-8-prenylflavanone	C21H22O5	354.14672	253786-74-2	knapsack	NA	NA
+FL2FF9NI0001	8-Methoxypinocembrin 7-O-prenyl ether	C21H22O5	354.14672	122585-67-5	knapsack	NA	NA
+FL2FF9NI0002	Microfolione;(2R)-5,7-Dihydroxy-8-methoxy-6-prenylflavanone	C21H22O5	354.14672	462112-95-4	knapsack	NA	NA
+FL4DA9NI0003	Leaserone	C21H22O5	354.14672	15508-94-8	knapsack	NA	NA
+FL63BANP0001	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan	C21H22O5	354.14672	-	knapsack	NA	NA
+FL6DA9NP0001	Quercetol A	C21H22O5	354.14672	119061-05-1	knapsack	NA	NA
+FLIC1LNP0007	3'-Methoxyglabridin	C21H22O5	354.14672	74046-05-2	knapsack	NA	NA
+FLICALNP0001	Neorauflavane	C21H22O5	354.14672	53734-74-0	knapsack	NA	NA
+FLIDBANI0001	1-Methoxyphaseollidin;3,9-Dihydroxy-1-methoxy-10-prenylpterocarpan	C21H22O5	354.14672	65428-13-9	knapsack	NA	NA
+FLIDBANI0002	Edudiol;3,9-Dihydroxy-1-methoxy-2-prenylpterocarpan	C21H22O5	354.14672	63343-94-2	knapsack	NA	NA
+FLIDHXNI0001	Cristacarpin;Erythrabyssin I	C21H22O5	354.14672	74515-47-2	knapsack	NA	NA
+FLIDHXNI0005	Glyceollin IV;6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan	C21H22O5	354.14672	69393-94-8	knapsack	NA	NA
+FLII1ANI0001	Ambofuranol;6-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-prenylbenzofuran	C21H22O5	354.14672	76869-00-6	knapsack	NA	NA
+FLII1LNI0002	Gancaonin I	C21H22O5	354.14672	126716-36-7	knapsack	NA	NA
+MJ043557	1,3,9-Trihydroxy-10-prenylpterocarpan; 1-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043558	1,3,9-Trihydroxy-2-prenylpterocarpan; 1-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043559	1,3,9-Trihydroxy-2-prenylpterocarpan; 3-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043560	10-(3-Methyl-2-butenoyl)spatheliachromen; Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043561	2',4',5,7-Tetrahydroxy-6-prenylisoflavene; 5-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043562	2',4',7-Trihydroxy-5'-prenylisoflavanone; 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043563	2',4',7-Trihydroxy-6'-prenylisoflavanone; 2'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043564	2',4',7-Trihydroxy-6-prenylisoflavanone, 7-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043565	2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043566	2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; 6'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043567	2',4,4'-Trihydroxy-3'-prenylchalcone; ?3''-Isomer, 2''-hydroxy, 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043568	2,3',4,4'-Tetrahydroxy-3-prenylchalcone, 2-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043569	2,3,4,4'-Tetrahydroxy-3'-prenylchalcone, 2-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043570	2,3-Dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043571	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-(1-propenyl)-4,5-benzofurandiol, 4,5-Methylene, 3',4'-di-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043572	2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-5-prenylbenzofuran; 4,6-Di-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043573	3',4',7-Trihydroxy-2'-prenylisoflavanone, 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043574	3',4,4',5,5'-Pentahydroxy-2,7'-cyclolignan, 3',4':4,5-Bis(methylene ether), 5'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043575	3,5,7-Trihydroxy-8-prenylflavanone, 7-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043576	3,6a,9-Trihydroxy-10-prenylpterocarpan; 9-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043577	3,6a,9-Trihydroxy-2-prenylpterocarpan; 3-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043578	3,8,9-Trihydroxy-6a-prenylpterocarpan, 9-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043579	3a,4,9,9a-Tetrahydro-9-(3,4,5-trimethoxyphenyl)naphtho[2,3-c]furan-1(3H)one 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043580	4',5,7-Trihydroxy-6-methyl-8-prenylflavanone 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043581	4',5,7-Trihydroxy-6-prenylflavanone, 7-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043582	4',5,7-Trihydroxy-8-methyl-6-prenylflavanone 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043583	4',5,7-Trihydroxy-8-prenylflavanone, 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043584	4',5,7-Trihydroxy-8-prenylflavanone, 5-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043585	4',5,7-Trihydroxy-8-prenylflavanone, 7-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043586	4',5-Dihydroxy-7-methoxyflavanone, 4'-O-(3-Methyl-2-butenyl) 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043587	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; Bis-O-(3-methyl-2-butenyl) 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043588	4-Hydroxy-6,7-dimethoxy-2,3-dimethyl-4-piperonyl-1-tetralone, 4-Deoxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043589	5,6,7-Trihydroxy-8-prenylflavanone, 6-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043590	5,7,8-Trihydroxyflavanone, 8-Me ether, 7-O-(3-methyl-2-butenyl) 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043591	5-(1-Propenyl)-2-(2,4,6-trimethoxyphenyl)benzofuran, 3'-Methoxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043592	7,8-(2,2-Dimethylpyrano)-3,4',5-trihydroxyflavan; 5-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043593	8-(1,1-Dimethyl-2-propenyl)-3,9,10-trihydroxypterocarpan; 9-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043594	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; 6',7'-Dihydro, 6'-oxo 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043595	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?5'-Isomer, 7'-hydroxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043596	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?7'-Isomer, 6'?-hydroxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043597	Alnusdiol; 4-Methoxy, 13-oxo, 11-deoxy, 9-ketone, 2-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043598	Ambofuranol 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043599	Aurantiumal 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043600	Bergamottin; 5'-Hydroxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043601	Bergamottin; 6',7'-Epoxide 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043602	Bergamottin; ?5'-Isomer, 5',6'-epoxide 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043603	Bergamottin; ?5'-Isomer, 7'-hydroxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043604	Cuevaene A 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043605	Echinofuran C 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043606	Flemistrictin D 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043607	Flemistrictin F; 4'-Hydroxy, 5-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043608	Flemistrictin F; 7-Hydroxy, 5-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043609	Furoguaiacin; 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043610	Futoquinol 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043611	Garveatin D 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043612	Glabridin, 3'-Hydroxy, 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043613	Isofutoquinol A 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043614	Leptosphaerodione 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043615	Licoagrochalcone D 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043616	Licobenzofuran 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043617	Naphterpin 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043618	Neorauflavane 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043619	Oblongulide 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043620	Pleurotin 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043621	Pongachalcone I; 3,4-Dihydro, 3?-hydroxy 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043622	Quercetol A 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043623	Quercetol C; O5-De-Me 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043624	Rubropunctatin 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043625	Spherosinin, 2',3'-Di-O-de-Me, 4'-Me ether 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043626	Tilifolidione 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MJ043627	Vismione B 	C21H22O5	354.146723	NA	MeJP	NA	NA
+MetaCyc03151	isoxanthohumol []	C21H22O5	354.146724	NA	metacyc	NA	NA
+MetaCyc03152	xanthogalenol []	C21H22O5	354.146724	NA	metacyc	NA	NA
+MetaCyc03153	xanthohumol [(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;]	C21H22O5	354.146724	NA	metacyc	NA	NA
+8203	peptide from Cornu Bubali (Bubalus Bubalis horn)	QYDQGV	354.14745	MH2+	Inhouse_peptide	NA	peptide
+MJ043628	Alangiobussine; 3,4-Didehydro 	C22H18N4O	354.148061	NA	MeJP	NA	NA
+MJ043629	2-Propanol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C14H26O10	354.152597	NA	MeJP	NA	NA
+MJ043630	2-Propanol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C14H26O10	354.152597	NA	MeJP	NA	NA
+MJ043631	Everninose 	C14H26O10	354.152597	NA	MeJP	NA	NA
+MJ043632	Pyroglutamylglutamylprolinamide 	C15H22N4O6	354.153934	NA	MeJP	NA	NA
+MJ043633	?,2-Dimethyl-5H-[1]-benzopyrano[2,3-b]pyridine-7-acetic acid, N,N-Dimethylcarbamoylmethyl ester 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043634	Cyclo(tyrosyltyrosyl), N,N'-Di-Me 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043635	Diazaquinomycin B; Quinone 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043636	Fluorocarpamine; Nb-Oxide 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043637	Maruquine 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043638	Mitraphylline; Parent acid 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043639	Picroroccellin 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043640	Uncarine, Parent acid 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043641	?-Schizozygol 	C20H22N2O4	354.157957	NA	MeJP	NA	NA
+MJ043642	Halfordinol; O-(2,3-Dihydroxy-3-methylbutyl), N-Me 	C20H23N2O4(+)	354.157957	NA	MeJP	NA	NA
+C11708	Sultopride	C17H26N2O4S	354.1613	NA	KEGG	NA	NA
+MJ043643	Sultopride 	C17H26N2O4S	354.161328	NA	MeJP	NA	NA
+MJ043644	3,4,5-Tribenzyl-2(5H)-furanone 	C25H22O2	354.161979	NA	MeJP	NA	NA
+MJ043645	3-[4-(1,2-Diphenyl-1-butenyl)phenyl]-2-propenoic acid 	C25H22O2	354.161979	NA	MeJP	NA	NA
+MJ043646	6-[2-(4'-Fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-one 	C22H23FO3	354.163122	NA	MeJP	NA	NA
+PJ000483	AQH 	C14H22N6O5	354.1652	NA	PeJP	NA	NA
+MJ043647	Liroldine 	C20H20F2N4	354.165603	NA	MeJP	NA	NA
+MJ043648	1,8-Epoxy-1,6,7-trihydroxy-12,8-eremophilanolide, 1-Me ether, 6-Ac 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043649	2-Methyl-6-(3-methyl-2-butenyl)-1,4-benzenediol; 1-O-?-Glucopyranoside 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043650	3,4,5,8,9,10-Hexahydro-3,8,9-trihydroxy-10-propyl-2H-oxecin-2-one, 6?,7?-Epoxide, 3-O-(2E,4E-hexadienoyl) 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043651	3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-(4-Hydroxy-2-methyl-2-butenoyl), 3-propanoyl 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043652	3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether, 3-Ac 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043653	4-Hydroxy-3-(3-methyl-2-butenyl)benzenemethanol; 4-O-?-D-Glucopyranoside 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043654	6-Acetyl-3,4,5,7,8-pentahydroxy-2,2-dimethyl-2H-1-benzopyran, 4-Et, 5,7,8-tri-Me ether 	C18H26O7	354.167853	NA	MeJP	NA	NA
+MJ043655	Guaiacylglycerol, 1,4'-Bis-O-(2-methylpropanoyl) 	C18H26O7	354.167853	NA	MeJP	NA	NA
+C02915	(S)-N-Methylcanadine	C21H24NO4	354.1705	NA	KEGG	NA	NA
+MetaCyc03154	(S)-cis-N-methyl-canadine [cis-N-methyl-(S)-7,8,13,14-tetrahydroprotoberberine;]	C21H24N1O4	354.170533	NA	metacyc	NA	NA
+MJ043656	Oxyridazine 	C21H26N2OS	354.176584	NA	MeJP	NA	NA
+C09970	Tephrowatsin A	C22H26O4	354.1831	NA	KEGG	NA	NA
+C15030	3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid	C22H26O4	354.1831	NA	KEGG	NA	NA
+FL64A9NI0001	Tephrowatsin A	C22H26O4	354.1831	97640-79-4	knapsack	NA	NA
+MJ043657	2,6-Epoxy-21-ethyl-17-hydroxy-1-oxacycloheneicosa-2,5,14,18,20-pentaen-11-yn-4-one 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043658	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene, Tetra-Me ether 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043659	3,4-Bis(4-hydroxyphenyl)hexane, Di-Ac 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043660	3-Ethyl-2,22-dioxabicyclo[16.3.1]docosa-3,6,8,12,18,21-hexaene-11,20-dione 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043661	4,5,7-Trihydroxy-8-prenylflavan, 5,7-Di-Me ether 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043662	Cannabinolic acid 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043663	Dactyloidin 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043664	Danshenol B 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043665	Dehydrodieugenol; Di-Me ether 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043666	Halitunal 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043667	Limbinol; 2-Ac 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043668	Panicein A2; 15-Alcohol 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043669	Sapriparaquinone; 4,18-Didehydro, Ac 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043670	Seratrodast 	C22H26O4	354.183109	NA	MeJP	NA	NA
+MJ043671	Taxamairin A; 3?-Alcohol, 11-Me ether 	C22H26O4	354.183109	NA	MeJP	NA	NA
+7793	Antioxidant peptide derived from egg ovalbumin	AHK	354.189	antioxidative	Inhouse_peptide	NA	peptide
+PJ000484	AAPP 	C16H26N4O5	354.1903	NA	PeJP	NA	NA
+C09251	Vincamine	C21H26N2O3	354.1943	NA	KEGG	NA	NA
+C09256	Yohimbine	C21H26N2O3	354.1943	NA	KEGG	NA	NA
+C11691	Stemmadenine	C21H26N2O3	354.1943	NA	KEGG	NA	NA
+C11783	Minovincinine	C21H26N2O3	354.1943	NA	KEGG	NA	NA
+C11809	17-O-Acetylnorajmaline	C21H26N2O3	354.1943	NA	KEGG	NA	NA
+MJ043672	?-Yohimbine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043673	Ajmalidine; 12-Methoxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043674	Ajmaline; N-De-Me, 17-Ac 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043675	Akagerine; 10-Hydroxy, Me ether 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043676	Akuammiline; 1,2?-Dihydro, O-de-Ac 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043677	Alloyohimbine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043678	Aspidoalbidine; 12-Hydroxy, N-Ac 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043679	Aspidoalbidine; 12-Methoxy, N-formyl 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043680	Caracurine VII; 11-Methoxy, Me ether 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043681	Cathafoline; 19?,20?-Epoxide 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043682	Cathafoline; 19?,20?-Epoxide 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043683	Cathafoline; N4-Oxide 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043684	Catharinensine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043685	Chippiine; 10,11-Bis(demethoxy) 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043686	Coronaridine hydroxyindolenine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043687	Coronaridine pseudoindoxyl 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043688	Coronaridine, 10-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043689	Coronaridine, 11-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043690	Coronaridine, 18-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043691	Corynantheidine, 20-Epimer, O17-de-Me 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043692	Corynantheine, O17-De-Me, 18,19-dihydro 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043693	Corynanthine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043694	Corynoxine; 17-Demethoxy, 7-epimer 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043695	Desformocorymine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043696	Dregamine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043697	Eburnamonine, 11,12-Dimethoxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043698	Eglandine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043699	Ervatamine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043700	Heyneanine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043701	Humantenirine; 11-Demethoxy, N4-Me 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043702	Hydroxybenzylpindolol 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043703	Iboxyphylline 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043704	Isorauhimbine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043705	Isositsirikine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043706	Kopsinine; 15?-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043707	Kopsinine; 19?-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043708	Kopsinine; Nb-Oxide 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043709	Kribine; 10-Hydroxy, Me ether (17? -) 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043710	Limatinine; 11-Methoxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043711	Macrogentine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043712	Minovincinine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043713	Pandoline 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043714	Pelirine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043715	Polyneuridine; 19,20-Dihydro 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043716	Protostrychnine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043717	Pseudoyohimbine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043718	Retuline; 16-Epimer, 18-acetoxy, N-de-Ac 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043719	Retuline; 16-Epimer, 18-hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043720	Retuline; Nb-Oxide 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043721	Rhyncophylline, 7-Epimer, demethoxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043722	Schizophylline 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043723	Sitsirikine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043724	Spermostrychnine; 23-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043725	Strictaminolamine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043726	Strychnosplendine; 19-Epimer, N1-Ac 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043727	Strychnosplendine; N1-Ac 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043728	Tacamine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043729	Tortuosamine, N-Formyl 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043730	Tubotaiwine; 11-Methoxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043731	Tubotaiwine; 12-Methoxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043732	Vincadifformine, 11-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043733	Vincadifformine, 15?-Hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043734	Vincamine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043735	Vincorine; N-De-Me 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043736	Vindolinine; 14,15-Dihydro, 15?-hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043737	Vindolinine; 14,15-Dihydro, Nb-oxide 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043738	Vindolinine; 16-Epimer, 14,15-dihydro, 15?-hydroxy 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043739	Yohimbine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043740	?-Yohimbine 	C21H26N2O3	354.194342	NA	MeJP	NA	NA
+MJ043741	Echitamidine, 19,20-Diepimer, Nb-Me 	C21H27N2O3(+)	354.194342	NA	MeJP	NA	NA
+MJ043742	Echitamidine, 20-Epimer, Nb-Me 	C21H27N2O3(+)	354.194342	NA	MeJP	NA	NA
+MJ043743	Ochropposinine, 3,4,5,6-Tetradehydro 	C21H27N2O3(+)	354.194342	NA	MeJP	NA	NA
+MetaCyc03155	17-O-acetylnorajmaline []	C21H26N2O3	354.194343	NA	metacyc	NA	NA
+MJ043744	16-Chloro-3,15-dihydroxy-3-erythroxylen-2-one 	C20H31ClO3	354.196172	NA	MeJP	NA	NA
+PJ000485	AKH 	C15H26N6O4	354.2016	NA	PeJP	NA	NA
+MJ043745	1,6,11-Farnesatriene-3,5,8,10-tetrol; 5,8-Di-Ac 	C19H30O6	354.204238	NA	MeJP	NA	NA
+MJ043746	10,15-Epoxy-6-caryophyllene-4,5,9,15-tetrol, 4,5-Di-Me ether, 9-Ac 	C19H30O6	354.204238	NA	MeJP	NA	NA
+MJ043747	2,6,11-Farnesatriene-1,5,10,15-tetrol, 1,15-Di-Ac 	C19H30O6	354.204238	NA	MeJP	NA	NA
+MJ043748	2,9-Bisaboladiene-7,11,12,15-tetrol; 12,15-Di-Ac 	C19H30O6	354.204238	NA	MeJP	NA	NA
+MJ043749	ACRL Toxins; ACRL Toxin III, 5,6-Dihydro 	C19H30O6	354.204238	NA	MeJP	NA	NA
+MJ043750	Band 1 toxin 	C19H30O6	354.204238	NA	MeJP	NA	NA
+MJ043751	Hexamidine 	C20H26N4O2	354.205576	NA	MeJP	NA	NA
+MJ043752	Neraminol 	C20H26N4O2	354.205576	NA	MeJP	NA	NA
+MetaCyc03156	amo-1618 [N,N,N,2-tetramethyl-5-(1-methylethyl)-4-((1-piperidinylcarbonyl)oxy)benzenaminium chloride;carbamic acid, N,N-pentamethylene-, 4-dimethylaminothymyl ester, methochloride;ammonium, (5-hydroxycarvacryl)trimethyl-, chloride, 1-piperidinecarboxylate;1-piperidinecarboxylic acid, 6-(trimethylammonio)thymyl ester, chloride;]	C19H31N2O2CL1	354.207406	NA	metacyc	NA	NA
+MJ043753	Roscovitine 	C19H26N6O	354.216809	NA	MeJP	NA	NA
+MJ043754	1-(2,6-Dihydroxyphenyl)-11-phenyl-1-undecanone 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043755	14-Hydroxycarda-3,5,20(22)-trienolide 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043756	18-Hydroxypregna-1,4,20-trien-3-one; Ac 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043757	2-Hydroxy-6-(10-phenyldecyl)benzoic acid 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043758	3-Hydroxycarda-14,16,20(22)-trienolide 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043759	4,8-Daucadien-14-ol; 14-(4-Methoxybenzoyl) 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043760	8-Hydroxybicyclogermacrene; 8?-form, 4-Methoxybenzoyl 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043761	Acitretin, Et ester 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043762	Melengestrol 	C23H30O3	354.219494	NA	MeJP	NA	NA
+MJ043763	Prorenoate; ?-Lactone 	C23H30O3	354.219494	NA	MeJP	NA	NA
+C09042	Aspidospermine	C22H30N2O2	354.2307	NA	KEGG	NA	NA
+MJ043764	8-[4-[2-(1,2,3,4-Tetrahydroisoquinolinyl)]butyl]-8-azaspiro[4.5]decane-7,9-dione 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043765	Aspidospermine 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043766	Barucainide 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043767	Echinoclathrine A 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043768	Epivincadine, N-Me 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043769	Eprozinol 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043770	Hedyocapitelline 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043771	Limaspermine; 18-Deoxy 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+MJ043772	Vincadine, N-Me 	C22H30N2O2	354.230728	NA	MeJP	NA	NA
+C14477	3,3-Difluoro-5alpha-androstan-17beta-yl acetate	C21H32F2O2	354.237	NA	KEGG	NA	NA
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.2406	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.2406	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.2406	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.2406	Wishlist	Inhousejuil11	NA	NA
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.2406	Wishlist	Inhousejuil11	NA	NA
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.2406	Wishlist	Inhousejuil11	NA	NA
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.2406	Wishlist	Inhousejuil11	NA	NA
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.2406	Wishlist	Inhousejuil11	NA	NA
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.2406	Wishlist	Inhousejuil11	NA	NA
+C00639	Prostaglandin F2alpha	C20H34O5	354.2406	NA	KEGG	NA	NA
+C00640	(3S)-3-Hydroxyacyl-CoA	C24H39N7O18P3SR	354.2406	NA	KEGG	NA	NA
+C00641	1,2-Diacyl-sn-glycerol	C5H6O5R2	354.2406	NA	KEGG	NA	NA
+C02314	Prostaglandin F2beta	C20H34O5	354.2406	NA	KEGG	NA	NA
+C02315	Protein dithiol	C7H11N3O3S2R2	354.2406	NA	KEGG	NA	NA
+C02317	PyroGlu-His-Xaa	C7H11N3O3S2R2	354.2406	NA	KEGG	NA	NA
+C02318	R'C(R)S-S(R)CR'	C2H2S2R4	354.2406	NA	KEGG	NA	NA
+C02319	R-CHOH-CO-CH2OH	C3H5O3R	354.2406	NA	KEGG	NA	NA
+C02320	R-S-Glutathione	C10H16N3O6SR	354.2406	NA	KEGG	NA	NA
+C02321	Rubber particle	C10H16N3O6SR	354.2406	NA	KEGG	NA	NA
+C04741	Alprostadil	C20H34O5	354.2406	NA	KEGG	NA	NA
+C04843	(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate	C20H34O5	354.2406	NA	KEGG	NA	NA
+C05959	11-epi-Prostaglandin F2alpha	C20H34O5	354.2406	NA	KEGG	NA	NA
+C06438	Prostaglandin D1	C20H34O5	354.2406	NA	KEGG	NA	NA
+C13809	9,11,15-Trihydroxy-prosta-5,13-dien-1-oic acid	C20H34O5	354.2406	NA	KEGG	NA	NA
+C14782	11,12,15-THETA	C20H34O5	354.2406	NA	KEGG	NA	NA
+C14809	Trioxilin A3	C20H34O5	354.2406	NA	KEGG	NA	NA
+C14811	Trioxilin B3	C20H34O5	354.2406	NA	KEGG	NA	NA
+C14814	11,14,15-THETA	C20H34O5	354.2406	NA	KEGG	NA	NA
+MJ043773	10,11,12-Trihydroxy-5,8,14-eicosatrienoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043774	11,13(16)-Labdadiene-6,7,8,14,15-pentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043775	11,15-Dihydroxy-9-oxo-13-prostenoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043776	11,16-Dihydroxy-9-oxo-13-prostenoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043777	13,16-Epoxy-3-clerodene-12,14,15,18-tetrol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043778	2,10-Bisaboladien-7-ol, 7-O-Lyxopyranoside 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043779	2,14,15,16,17-Kauranepentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043780	2,3,14,15,16-Pimaranepentol, 7,8-Didehydro 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043781	2,3,4-Trihydroxy-13-cleroden-15-oic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043782	2,3,9-Trihydroxy-13-labden-15-oic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043783	2,6,10,14-Phytatetraene-1,8,12,19-tetrol, 6,7-Epoxide 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043784	3,11,16,17,18-Aphidicolanepentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043785	3,5,6,10,16-Grayanotoxanepentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043786	3,6,16,17,18-Aphidicolanepentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043787	3,7,16,17,18-Aphidicolanepentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043788	3,8(17)-Dolabelladiene-2,7,9,16,18-pentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043789	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(13-methyltetradecanoyl)-2(5H)-furanone 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043790	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-pentadecanoyl-2(5H)-furanone 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043791	3-Hydroxyportulol ether 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043792	4(15)-Eudesmen-11-ol; O-?-L-Arabinopyranoside 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043793	4(15)-Eudesmen-11-ol; O-?-D-Arabinopyranoside 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043794	4,11,12-Trihydroxy-7-cembren-16,3-olide 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043795	4,16,17-Trihydroxy-3,4-seco-3-atisanoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043796	4,8,11-Trihydroxy-12-cembren-16,3-olide 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043797	5,9,11-Trihydroxyprosta-6,14-dienoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043798	6,13-Epoxy-4(18)-eunicellene-7,8,9,12-tetrol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043799	6,9-Epoxy-11,15-dihydroxy-13-prostenoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043800	8(14)-Abietene-7,12,13,15,18-pentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043801	8(14)-Pimarene-2,12,15,16,19-pentol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043802	8,11-Epidioxy-2,12(20)-cembradiene-4,6,7-triol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043803	8,13-Epoxy-14,15-dihydroxy-19-labdanoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043804	8,14,15-Trihydroxy-13(16)-labden-19-oic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043805	8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043806	9,11,15-Trihydroxyprosta-5,13-dienoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043807	9,11-Dihydroxy-15-oxo-5-prostenoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043808	9,11-Epidioxy-15-hydroxy-13-prosten-1-oic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043809	9,15-Dihydroxy-11-oxo-13-prostenoic acid 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043810	Lasiocoryin 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043811	Tomexanthol 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043812	11-epi-Prostaglandin F2alpha 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MJ043813	Prostaglandin F2alpha 	C20H34O5	354.240624	NA	MeJP	NA	NA
+MetaCyc03157	(5Z,9E,14Z)-(8XI,11XI,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoate []	C20H34O5	354.240624	NA	metacyc	NA	NA
+MetaCyc03158	(13E)-(15S)-11-&alpha;,15-dihydroxy-9-oxoprost-13-enoate [prostglandin E1;alprostadil;]	C20H34O5	354.240624	NA	metacyc	NA	NA
+MetaCyc03159	(5Z,13E)-(15S)-9,11,15-trihydroxyprosta-5,13-dienoate [Prostaglandin F2&alpha;;7-[3, 5-dihydroxy-2-(3-hydroxyl-1-octenyl) cyclopentyl]-5-heptenoic acid;(+)-Prostglandin F2a;5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-9a,11a-PGF2;Amoglandin;Cyclosin;Dinaprost;Enzaprost;Enzaprost F;Panacelan;PGF2a;Prostaglandin F2;Prostaglandin F2a;Prostarmon F;Prostin F2 &alpha;;Protamodin;(5Z,13E)-(15S)-9&alpha;,11&alpha;,15-trihydroxyprosta-5,13-dienoate;]	C20H34O5	354.240624	NA	metacyc	NA	NA
+MetaCyc03160	(5z,13e)-(15s)-9-&alpha;,11-&alpha;,15-trihydroxyprosta-5,13-dienoate [prostaglandin F2&alpha;;amoglandin;cyclosin;dinoprost;panacelan;]	C20H34O5	354.240624	551-11-1	metacyc	NA	NA
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	HMDB	NA	NA
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	HMDB	NA	NA
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	HMDB	NA	NA
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	HMDB	NA	NA
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	HMDB	NA	NA
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	HMDB	NA	NA
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	Inhouse_PFEM	NA	NA
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR156	8-iso-prostaglandinF2a (8-isoprostane)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR159	11-epi-Prostaglandin-F2a(11-epi-PGF2a)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR171	ProstaglandinD1(PGD1)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR175	ProstaglandinE1(PGE1)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR179	ProstaglandinF2a(PGF2a)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR180	ProstaglandinF2b(PGF2b)	C20H34O5	354.240625	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01139	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01139	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01442	Prostaglandin E1	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01442	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04685	13,14-dihydro-15-keto PGF2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB04685	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05083	8-Isoprostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB05083	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01139	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01139	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01139	HMDB	NA	NA
+HMDB01442	Prostaglandin E1	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01442	HMDB	NA	NA
+HMDB01483	Prostaglandin F2b	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01483	HMDB	NA	NA
+HMDB01965	Troxilin B3	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01965	HMDB	NA	NA
+HMDB01977	Trioxilin A3	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01977	HMDB	NA	NA
+HMDB02115	8-isoprostaglandin PGF2beta	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB02115	HMDB	NA	NA
+HMDB04684	11,12,15-THETA	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB04684	HMDB	NA	NA
+HMDB04685	13,14-dihydro-15-keto PGF2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB04685	HMDB	NA	NA
+HMDB04686	8-Isoprostaglandin E1	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB04686	HMDB	NA	NA
+HMDB04694	11,14,15-THETA	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB04694	HMDB	NA	NA
+HMDB05083	8-Isoprostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB05083	HMDB	NA	NA
+HMDB05102	Prostaglandin D1	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB05102	HMDB	NA	NA
+HMDB06562	8-iso-13,14-dihydro-15-keto-PGF2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB06562	HMDB	NA	NA
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01139	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01442	Prostaglandin E1	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB01442	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04685	13,14-dihydro-15-keto PGF2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB04685	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05083	8-Isoprostaglandin F2a	C20H34O5	354.24063	http://www.hmdb.ca/metabolites/HMDB05083	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01139	Prostaglandin F2a	C20H34O5	354.24063	HMDB01139	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01442	Prostaglandin E1	C20H34O5	354.24063	HMDB01442	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01483	Prostaglandin F2b	C20H34O5	354.24063	HMDB01483	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01965	Troxilin B3	C20H34O5	354.24063	HMDB01965	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01977	Trioxilin A3	C20H34O5	354.24063	HMDB01977	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02115	8-isoprostaglandin PGF2beta	C20H34O5	354.24063	HMDB02115	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04684	11,12,15-THETA	C20H34O5	354.24063	HMDB04684	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04685	13,14-dihydro-15-keto PGF2a	C20H34O5	354.24063	HMDB04685	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04686	8-Isoprostaglandin E1	C20H34O5	354.24063	HMDB04686	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04694	11,14,15-THETA	C20H34O5	354.24063	HMDB04694	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05083	8-Isoprostaglandin F2a	C20H34O5	354.24063	HMDB05083	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05102	Prostaglandin D1	C20H34O5	354.24063	HMDB05102	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06562	8-iso-13,14-dihydro-15-keto-PGF2a	C20H34O5	354.24063	HMDB06562	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01139	Prostaglandin F2a	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB01442	Prostaglandin E1	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB01483	Prostaglandin F2b	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB01965	Troxilin B3	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB01977	Trioxilin A3	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB02115	8-isoprostaglandin PGF2b	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB04684	11,12,15-THETA	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB04685	13,14-Dihydro-15-keto PGF2a	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB04686	8-Isoprostaglandin E1	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB04694	11,14,15-THETA	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB05083	8-Isoprostaglandin F2a	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB05102	Prostaglandin D1	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB06562	8-iso-13,14-dihydro-15-keto-PGF2a	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB10170	11,12,15-TriHETRE	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB10199	11b-PGF2a	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+HMDB11137	11-Epi-PGF2a	C20H34O5	354.240631	NA	HMDB2010	NA	NA
+MJ043814	Glutamine, N2-(9Z-Tetradecenoyl) 	C19H34N2O4	354.251857	NA	MeJP	NA	NA
+CJpos0768	Cholic acid [(M+H)-3(H2O)]+	C24H35O2	354.255375	C18rt(min)=9.25 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0768	Cholic acid [(M+H)-3(H2O)]+	C24H35O2	354.255375	C18rt(min)=9.25 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ043815	1,12-Dodecanediol; Di-Ph ether 	C24H34O2	354.25588	NA	MeJP	NA	NA
+MJ043816	3-(12-Phenyldodecyl)-1,2-benzenediol 	C24H34O2	354.25588	NA	MeJP	NA	NA
+MJ043817	3-Ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyl-6,10-dodecadien-1-one 	C24H34O2	354.25588	NA	MeJP	NA	NA
+MJ043818	4-(12-Phenyldodecyl)-1,2-benzenediol 	C24H34O2	354.25588	NA	MeJP	NA	NA
+MJ043819	5-(10-Phenyldecyl)-1,3-benzenediol; Di-Me ether 	C24H34O2	354.25588	NA	MeJP	NA	NA
+MJ043820	5-(12-Phenyldodecyl)-1,3-benzenediol 	C24H34O2	354.25588	NA	MeJP	NA	NA
+C16921	Bufadienolide	C24H34O2	354.2559	NA	KEGG	NA	NA
+C12280	Methyl acetyl ricinoleate	C21H38O4	354.277	NA	KEGG	NA	NA
+C12281	Transferred to D01084	C21H38O4	354.277	NA	KEGG	NA	NA
+C12282	Polyvinyl acetate	C21H38O4	354.277	NA	KEGG	NA	NA
+C12283	Transferred to D01085	C21H38O4	354.277	NA	KEGG	NA	NA
+HMDB11538	MG(0:0/18:2(9Z,12Z)/0:0)	C21H38O4	354.277008	NA	HMDB2010	NA	NA
+HMDB11568	MG(18:2(9Z,12Z)/0:0/0:0)	C21H38O4	354.277008	NA	HMDB2010	NA	NA
+MJ043821	14-Methylene-2,10-phytadiene-1,12,19,20-tetrol 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043822	4,5-Dihydro-4-hydroxy-5-methyl-2-tetradecyl-2(3H)-furanone, Ac 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043823	4,6-Diethyl-6-(4-ethyl-2-methyl-1,5-octadienyl)-1,2-dioxane-3-acetic acid, 7,8-Dihydro 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043824	4,6-Diethyl-6-(4-ethyl-2-methyl-5-octenyl)-3,6-dihydro-1,2-dioxin-3-acetic acid; 11,12-Dihydro 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043825	Amphiasterin B1 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043826	Deprostil 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043827	Glycerol 1-alkanoates; Glycerol 1-(9Z,12Z-octadecadienoate) 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043828	Rioprostil 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043829	Secoplakortide H 	C21H38O4	354.277009	NA	MeJP	NA	NA
+MJ043830	Holarrhine 	C20H38N2O3	354.288243	NA	MeJP	NA	NA
+MJ043831	26,27-Dinorcholest-5-en-23-yn-3-ol 	C25H38O	354.292265	NA	MeJP	NA	NA
+MJ043832	Cerorubenol I 	C25H38O	354.292265	NA	MeJP	NA	NA
+MJ043833	Furospinulosin 1 	C25H38O	354.292265	NA	MeJP	NA	NA
+MJ043834	16-Hydroxy-12-docosenoic acid 	C22H42O3	354.313395	NA	MeJP	NA	NA
+MJ043835	2-Hydroxy-13-docosenoic acid 	C22H42O3	354.313395	NA	MeJP	NA	NA
+MJ043836	7-Hydroxy-8,18-dimethyl-9-eicosenoic acid 	C22H42O3	354.313395	NA	MeJP	NA	NA
+MJ043837	21-Methyldocosanoic acid 	C23H46O2	354.34978	NA	MeJP	NA	NA
+MJ043838	4,6-Tricosanedione; 4-Alcohol 	C23H46O2	354.34978	NA	MeJP	NA	NA
+MJ043839	4,6-Tricosanedione; 6-Alcohol 	C23H46O2	354.34978	NA	MeJP	NA	NA
+MJ043840	6,8-Tricosanedione; 6-Alcohol 	C23H46O2	354.34978	NA	MeJP	NA	NA
+MJ043841	6,8-Tricosanedione; 8-Alcohol 	C23H46O2	354.34978	NA	MeJP	NA	NA
+MJ043842	Docosanoic acid; Me ester 	C23H46O2	354.34978	NA	MeJP	NA	NA
+MJ043843	Tricosanoic acid 	C23H46O2	354.34978	NA	MeJP	NA	NA
+HMDB01160	Tricosanoic acid	C23H46O2	354.34979	http://www.hmdb.ca/metabolites/HMDB01160	HMDB	NA	NA
+HMDB01160	Tricosanoic acid	C23H46O2	354.34979	HMDB01160	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01160	Tricosanoic acid	C23H46O2	354.349792	NA	HMDB2010	NA	NA
+MJ043844	1-Tetracosanol 	C24H50O	354.386166	NA	MeJP	NA	NA
+C11068	MC-5127	C15H11Cl2NO5	355.0014	NA	KEGG	NA	NA
+MJ043845	Thiamphenicol 	C12H15Cl2NO5S	355.004798	NA	MeJP	NA	NA
+C12853	Thiamphenicol	C12H15Cl2NO5S	355.0048	NA	KEGG	NA	NA
+C12854	Transferred to D01408	C12H15Cl2NO5S	355.0048	NA	KEGG	NA	NA
+C12855	Transferred to D01409	C12H15Cl2NO5S	355.0048	NA	KEGG	NA	NA
+C12856	Transferred to D01410	C12H15Cl2NO5S	355.0048	NA	KEGG	NA	NA
+C12857	Transferred to D01411	C12H15Cl2NO5S	355.0048	NA	KEGG	NA	NA
+C12858	Transferred to D01412	C12H15Cl2NO5S	355.0048	NA	KEGG	NA	NA
+MJ043846	2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine 	C7H11N5O8P2	355.008285	NA	MeJP	NA	NA
+MetaCyc03161	2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate [6-hydroxymethyl-dihydropterin pyrophosphate;2-amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)-pteridine;dihydropterin-CH2OH-diphosphate;dihydropterin-CH2OH-pp;]	C7H11N5O8P2	355.008285	NA	metacyc	NA	NA
+C04807	2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine	C7H11N5O8P2	355.0083	NA	KEGG	NA	NA
+MJ043847	N-[[5-Deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxycarbonyl]glycine; ?-D-form 	C10H18AsNO8	355.024837	NA	MeJP	NA	NA
+MJ043848	Succinylsulfathiazole 	C13H13N3O5S2	355.029661	NA	MeJP	NA	NA
+C11745	Succinyl sulfathiazole	C13H13N3O5S2	355.0297	NA	KEGG	NA	NA
+C11746	Penillic acid	C9H11N2O4SR	355.0297	NA	KEGG	NA	NA
+C11747	Penicillenic acid	C10H12NO4SR	355.0297	NA	KEGG	NA	NA
+MJ043849	Iometin 	C14H18IN3	355.054541	NA	MeJP	NA	NA
+MJ043850	2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 2-O-?-D-glucopyranoside, 5-O-sulfate 	C11H17NO10S	355.057316	NA	MeJP	NA	NA
+MJ043851	Coptisine; Chloride 	C19H14ClNO4	355.061135	NA	MeJP	NA	NA
+MJ043852	2-Chloro-5-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoic acid; Isopropyl ester 	C16H18ClNO4S	355.064506	NA	MeJP	NA	NA
+MJ043853	6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ether, Me ester 	C18H13NO7	355.069201	NA	MeJP	NA	NA
+MJ043854	8-Methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester 	C18H13NO7	355.069201	NA	MeJP	NA	NA
+MJ043855	Debilic acid 	C18H13NO7	355.069201	NA	MeJP	NA	NA
+PJ000486	CCM 	C11H21N3O4S3	355.0694	NA	PeJP	NA	NA
+MJ043856	Tiaramide 	C15H18ClN3O3S	355.075739	NA	MeJP	NA	NA
+MJ043857	Corlumine, Di-O-de-Me 	C19H17NO6	355.105587	NA	MeJP	NA	NA
+MJ043858	Rugosinone; 3,4-Dihydro 	C19H17NO6	355.105587	NA	MeJP	NA	NA
+MJ043859	Tinofedrine 	C20H21NOS2	355.106455	NA	MeJP	NA	NA
+MJ043860	6-Amino-2-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-1H-benz[d,e]isoquinoline-1,3(2H)-dione 	C19H18ClN3O2	355.108754	NA	MeJP	NA	NA
+MJ043861	Chondrosine 	C12H21NO11	355.11146	NA	MeJP	NA	NA
+MJ043862	Hyalbiuronic acid 	C12H21NO11	355.11146	NA	MeJP	NA	NA
+MJ043863	Asperopterin B; O-?-D-Ribofuranoside 	C13H17N5O7	355.112797	NA	MeJP	NA	NA
+MJ043864	N-(6-Hydroxy-9-?-D-ribofuranosyl-9H-purin-2-yl)alanine 	C13H17N5O7	355.112797	NA	MeJP	NA	NA
+MJ043865	9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-(2-aminopropanoyl) 	C18H17N3O5	355.11682	NA	MeJP	NA	NA
+PJ000487	ACY 	C15H21N3O5S	355.1202	NA	PeJP	NA	NA
+C17303	AL-321	C20H21NO3S	355.1242	NA	KEGG	NA	NA
+MJ043866	Plafibride 	C16H22ClN3O4	355.129883	NA	MeJP	NA	NA
+PJ000488	PCH 	C14H21N5O4S	355.1314	NA	PeJP	NA	NA
+MJ043867	4-Methoxy-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide 	C22H17N3O2	355.132076	NA	MeJP	NA	NA
+C11568	(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl	C22H17N3O2	355.1321	NA	KEGG	NA	NA
+MJ043868	3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, Ph ester 	C21H22ClNO2	355.133906	NA	MeJP	NA	NA
+MJ043869	Enviradene 	C19H21N3O2S	355.135447	NA	MeJP	NA	NA
+PJ000489	SSY 	C15H21N3O7	355.138	NA	PeJP	NA	NA
+MJ043870	1,2,10-Trimethoxyaporphine, O10,N-Di-de-Me, N-methoxycarbonyl 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043871	1,2-Dihydro-1,2-dihydroxyacromycine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043872	1,3,5,6-Tetrahydroxy-2-prenylacridone; O5,N-Di-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043873	Baicaline 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043874	Bulbocapnine, Me ether, N-oxide(?-) 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043875	Bulbocapnine, Me ether, N-oxide(?-) 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043876	Buxifoline, 7S-Hydroxy, N-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043877	Cassyfiline; Me ether 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043878	Clausamine F; 3'-Hydroperoxide, 1-Me ether 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043879	Colchiritchine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043880	Corydalisol 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043881	Crebanine, 4S-Hydroxy 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043882	Crebanine, 7R-Hydroxy 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043883	Crebanine, N-Oxide 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043884	Crotonosine, Me ether, N-methoxycarbonyl 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043885	Dicentrine, 4S-Hydroxy 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043886	Duguetine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043887	Duguevanine, N-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043888	Fumaritine; Natural-form 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043889	Fumarizine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043890	Gravacridonediol; 2'-Me ether 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043891	Guattouregidine; O9-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043892	Hunnemannine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043893	Isocorypalmine, 8-Oxo 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043894	Izmirine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043895	Junosine; 4-Methoxy 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043896	Leucoxine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043897	Marshaline 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043898	Marshmine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043899	Nantenine, 7-Hydroxy 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043900	Ocokryptine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043901	Oliveridine, Me ether, N-oxide 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043902	Ophiocarpine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043903	Phoebine, N-De-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043904	Polygospermine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043905	Prenylcitpressine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043906	Protopine; 14-Alcohol 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043907	Repirinast 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043908	Rubescenamine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043909	Thalicthuberine; N-De-Me, N-hydroxy 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043910	Thalictrisine 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043911	Thalimonine; O2-De-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043912	Thalimonine; O9-De-Me 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+MJ043913	Zanthosin 	C20H21NO5	355.141972	NA	MeJP	NA	NA
+C10653	Buntanine	C20H21NO5	355.142	NA	KEGG	NA	NA
+C07626	Amodiaquine	C20H22ClN3O	355.1451	NA	KEGG	NA	NA
+MJ043914	Amodiaquine 	C20H22ClN3O	355.14514	NA	MeJP	NA	NA
+MJ043915	2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol, 5-O-?-D-Galactopyranoside 	C13H25NO10	355.147846	NA	MeJP	NA	NA
+MJ043916	2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol, 7-O-?-D-Glucopyranoside 	C13H25NO10	355.147846	NA	MeJP	NA	NA
+MJ043917	4-O-(2-Amino-2-deoxy-D-glucopyranosyl)-D-ribitol; N-Ac 	C13H25NO10	355.147846	NA	MeJP	NA	NA
+PJ000490	AEH 	C14H21N5O6	355.1492	NA	PeJP	NA	NA
+MJ043918	Lagunamycin 	C19H21N3O4	355.153206	NA	MeJP	NA	NA
+C01137	S-Adenosylmethioninamine	C14H23N6O3S	355.1552	NA	KEGG	NA	NA
+MJ043919	S-Adenosylmethioninamine 	C14H23N6O3S	355.155234	NA	MeJP	NA	NA
+MetaCyc03162	S-adenosyl-L-methioninamine [decarboxylated AdoMet;(5-deoxy-5-adenosyl)(3-aminopropyl) methylsulfonium salt;decarboxylated SAM;S-adenosylmethioninamine;decarboxylated S-adenosylmethionine;dAdoMet;S-methyl-S-adenosyl homocysteamine;3-amino-propyl-S-adenosine;]	C14H23N6O3S1	355.155234	NA	metacyc	NA	NA
+HMDB00988	S-Adenosylmethioninamine	C14H23N6O3S	355.15524	http://www.hmdb.ca/metabolites/HMDB00988	HMDB	NA	NA
+HMDB00988	S-Adenosylmethioninamine	C14H23N6O3S	355.15524	HMDB00988	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00988	S-Adenosylmethioninamine	C14H23N6O3S	355.155243	NA	HMDB2010	NA	NA
+MJ043920	Prosulpride 	C16H25N3O4S	355.156576	NA	MeJP	NA	NA
+MJ043921	Emiglitate 	C17H25NO7	355.163102	NA	MeJP	NA	NA
+MJ043922	Batanopride 	C17H26ClN3O3	355.166269	NA	MeJP	NA	NA
+8000	synthetic peptide	LHS	355.174	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ043923	2-Methoxyatherosperminine; N-Oxide 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043924	4-(4,4-Diphenylbutyl)glutamic acid 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043925	8-(3,3-Dimethylallyloxy)-N-methylflindersine; 7-Methoxy 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043926	Argemonine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043927	Catalpifoline, N-Me 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043928	Corybulbine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043929	Corydalidzine, O3-Me 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043930	Corydinemethine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043931	Corytenchirine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043932	Delavayine B 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043933	Dysazecine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043934	Dysoxyline 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043935	Fissicesine; N-Oxide 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043936	Glaucine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043937	Isocorybulbine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043938	Lienkonine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043939	N-Methylsecoglaucine; N-De-Me 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043940	N-Methylsecoglaucine; O1-De-Me 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043941	N-Methylsecoglaucine; O8-De-Me 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043942	Nalmexone 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043943	Platycerine, Me ether 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043944	Secocularidine; Me ether 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043945	Secosarcocapnidine; Me ether 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043946	Tetrahydropalmatine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043947	Thalisopavine, Me ether 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043948	Uvariopsamine; N-De-Me 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043949	Xylopinine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043950	Tetrahydropalmatine 	C21H25NO4	355.178358	NA	MeJP	NA	NA
+MJ043951	Corydalmine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043952	Corydine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043953	Corypalmine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043954	Cularine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043955	Isocorydine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043956	Isocorypalmine, ?-N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043957	Isoscoulerine, O9,N-Di-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043958	Lauroscholtzine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043959	Platycerine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043960	Romneine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MJ043961	Thaliporphine, N-Me 	C21H26NO4(+)	355.178358	NA	MeJP	NA	NA
+MetaCyc03163	tetrahydropalmatine []	C21H25N1O4	355.178358	10097-84-4	metacyc	NA	NA
+C02890	Tetrahydropalmatine	C21H25NO4	355.1784	NA	KEGG	NA	NA
+C09341	(-)-Argemonine	C21H25NO4	355.1784	NA	KEGG	NA	NA
+C09446	Glaucine	C21H25NO4	355.1784	NA	KEGG	NA	NA
+C09671	Xylopinine	C21H25NO4	355.1784	NA	KEGG	NA	NA
+3491	ACE inhibitor from sake lees	IYPRY	355.1815	MH2+	Inhouse_peptide	NA	peptide
+PJ000491	SLH 	C15H25N5O5	355.1856	NA	PeJP	NA	NA
+MJ043962	Imoxiterol 	C20H25N3O3	355.189591	NA	MeJP	NA	NA
+MJ043963	Martefragin A 	C20H25N3O3	355.189591	NA	MeJP	NA	NA
+MJ043964	Virgiline; 2,3-Didehydro, 2-pyrrolecarboxylate 	C20H25N3O3	355.189591	NA	MeJP	NA	NA
+MJ043965	Moperone 	C22H26FNO2	355.194757	NA	MeJP	NA	NA
+MJ043966	2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-4(1H)-quinolinone, N-(Methylthiomethyl) 	C22H29NOS	355.196985	NA	MeJP	NA	NA
+MJ043967	Diprofene 	C22H29NOS	355.196985	NA	MeJP	NA	NA
+MJ043968	Xenthiorate 	C22H29NOS	355.196985	NA	MeJP	NA	NA
+CJneg0534	Octanoylcarnitine isomer [(M-H)+(HCOONa)]-	C16H29NNaO6	355.197625	C18rt(min)=7.5 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0551	Octanoylcarnitine [(M-H)+(HCOONa)]-	C16H29NNaO6	355.197625	C18rt(min)=7.86 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0534	Octanoylcarnitine isomer [(M-H)+(HCOONa)]-	C16H29NNaO6	355.197625	C18rt(min)=7.5 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0551	Octanoylcarnitine [(M-H)+(HCOONa)]-	C16H29NNaO6	355.197625	C18rt(min)=7.86 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ043969	1-Hydroxymethylpyrrolizidine methyl 2-O-acetyl-2-isopropylmalate 	C18H29NO6	355.199487	NA	MeJP	NA	NA
+MJ043970	Antibiotic H 85 	C18H29NO6	355.199487	NA	MeJP	NA	NA
+MJ043971	Heliotrine; 2'-Ac 	C18H29NO6	355.199487	NA	MeJP	NA	NA
+MJ043972	Ipanguline D3; 2'' or 3''-Tigloyl 	C18H29NO6	355.199487	NA	MeJP	NA	NA
+MJ043973	Senecicaudatin; O-(3-Methylbutanoyl) 	C18H29NO6	355.199487	NA	MeJP	NA	NA
+MJ043974	Antibiotic TAN 1057A 	C13H25N9O3	355.208035	NA	MeJP	NA	NA
+MJ043975	Antibiotic TAN 1057C 	C13H25N9O3	355.208035	NA	MeJP	NA	NA
+C08710	Spirasine I	C22H29NO3	355.2147	NA	KEGG	NA	NA
+MJ043976	15-Cyanopuupehenol 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043977	Cyclopiperstachine 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043978	Cyprodime 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043979	Dehydronapelline; 12-Ketone 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043980	Nakijinol 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043981	Norethisterone; Ac, 3-oxime 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043982	Piperstachine 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043983	Retrofractamides; Retrofractamide B 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043984	Songorine; 1-Ketone 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043985	Spiradine B; 11-Ac 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043986	Spirasine VII; 16-Deoxy, 15,16-didehydro 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043987	Spirasine VII; 16-Deoxy, 16,17-didehydro 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043988	Talassamine; O15-Ac 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043989	Talassamine; O7-Ac 	C22H29NO3	355.214743	NA	MeJP	NA	NA
+MJ043990	7-Amino-2,10-bisaboladiene 	C18H33N3O2S	355.229348	NA	MeJP	NA	NA
+MJ043991	Agelasidine A 	C18H33N3O2S	355.229348	NA	MeJP	NA	NA
+MJ043992	20-Aminopregna-1,4-dien-3-one, N,N-Di-Me, 18-oxo 	C23H33NO2	355.251129	NA	MeJP	NA	NA
+MJ043993	3-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1H-indole; 8',9'-Dihydroxy, 6',7'-dihydro 	C23H33NO2	355.251129	NA	MeJP	NA	NA
+MJ043994	Azastene 	C23H33NO2	355.251129	NA	MeJP	NA	NA
+MJ043995	Nicanartine 	C23H33NO2	355.251129	NA	MeJP	NA	NA
+MJ043996	Xipranolol 	C23H33NO2	355.251129	NA	MeJP	NA	NA
+MJ043997	Xyloxemine 	C23H33NO2	355.251129	NA	MeJP	NA	NA
+MJ043998	Spongidine A 	C23H34NO2(+)	355.251129	NA	MeJP	NA	NA
+MJ043999	2-(Aminomethyl)-2-propenoic acid; N-(2-Hydroxypentadecanoyl), Me ester 	C20H37NO4	355.272258	NA	MeJP	NA	NA
+MJ044000	Buxtauine M; Deoxy 	C24H37NO	355.287514	NA	MeJP	NA	NA
+MJ044001	Cyclobuxophylline O 	C24H37NO	355.287514	NA	MeJP	NA	NA
+C10997	Guazatine	C18H41N7	355.3423	NA	KEGG	NA	NA
+MetaCyc03164	guazatine []	C18H41N7	355.342344	NA	metacyc	NA	NA
+2878	opioid fragment of beta-lipotropin L-enkephalin-R	YGGFLR	355.679	MH2+	Inhouse_peptide	NA	peptide
+MJ044002	2,3,5-Tribromo-4-hydroxybenzaldehyde 	C7H3Br3O2	355.768317	NA	MeJP	NA	NA
+MJ044003	(4-Chlorophenyl)-2-thienyliodonium(1+); Chloride 	C10H7Cl2IS	355.869019	NA	MeJP	NA	NA
+MJ044004	Discodermindole 	C11H10Br2N4	355.927221	NA	MeJP	NA	NA
+MJ044005	Didemnimide A; 6-Bromo 	C15H9BrN4O2	355.990888	NA	MeJP	NA	NA
+MetaCyc03165	methanofuran biosynththesis intermediate MF1 []	C6H14O13P2	355.990964	NA	metacyc	NA	NA
+MJ044006	Sulfabromomethazine 	C12H13BrN4O2S	355.994259	NA	MeJP	NA	NA
+MJ044007	Agelastatin A; 6b-Hydroxy 	C12H13BrN4O4	356.012017	NA	MeJP	NA	NA
+MJ044008	Hyalodendrin, Trisulfide analogue 	C14H16N2O3S3	356.032304	NA	MeJP	NA	NA
+MJ044009	Chebulic acid 	C14H12O11	356.037961	NA	MeJP	NA	NA
+HMDB06910	Aminoacyl-phosphatidylglycerol	C10H15NO11P	356.03827	http://www.hmdb.ca/metabolites/HMDB06910	HMDB	NA	NA
+HMDB06910	Aminoacyl-phosphatidylglycerol	C10H15NO11P	356.03827	HMDB06910	PFEM_hmdb_metabocards_official	NA	NA
+C14838	Y 23684	C18H13ClN2O2S	356.0386	NA	KEGG	NA	NA
+MJ044010	Clathramide A 	C13H17BrN4O3	356.048403	NA	MeJP	NA	NA
+MJ044011	Midpacamide; 5-Debromo 	C13H17BrN4O3	356.048403	NA	MeJP	NA	NA
+MJ044012	Octosyl acid B; 5-Carboxylic acid, 5'-ketone 	C13H12N2O10	356.049194	NA	MeJP	NA	NA
+FL3FACNI0002	Demethyltorosaflavone D	C18H12O8	356.05321	145194-16-7	knapsack	NA	NA
+FLIEECNS0001	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan	C18H12O8	356.05321	35930-41-7	knapsack	NA	NA
+FLIFWYNS0004	Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone	C18H12O8	356.05321	128486-15-7	knapsack	NA	NA
+MJ044013	1,2,3,8,9-Pentahydroxycoumestan; 1,3-Di-Me, 8,9-methylene ether 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044014	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-diene-9,9'-dioic acid 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044015	Araliorhamnone C; 8-Me ether, 5-hydroxy 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044016	Coccineone B; 2-Hydroxy, 6-Ac 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044017	Dothistromin; 2-Deoxy 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044018	Grevilline A; 2',3'',5'-Trihydroxy, 4'-deoxy 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044019	Grevilline A; 3',3''-Dihydroxy 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044020	Isoxerocomic acid 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044021	Paeciloquinone A 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044022	Schizotenuin D 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044023	Torosaflavone D; De-O-Me 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044024	Usararotenoid A 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044025	Versicolorin A, 2,3-Dihydro, 3S-hydroxy 	C18H12O8	356.053217	NA	MeJP	NA	NA
+MJ044026	Xerocomic acid 	C18H12O8	356.053217	NA	MeJP	NA	NA
+C13703	IAA-94	C17H18Cl2O4	356.0582	NA	KEGG	NA	NA
+MJ044027	1-(4-Bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyl-2-octen-1-one 	C16H21BrO4	356.062321	NA	MeJP	NA	NA
+MJ044028	Antibiotic C4; Deoxy 	C14H16N2O7S	356.067821	NA	MeJP	NA	NA
+MJ044029	Fletazepam 	C17H13ClF4N2	356.070338	NA	MeJP	NA	NA
+C04454	5-Amino-6-(5'-phosphoribitylamino)uracil	C9H17N4O9P	356.0733	NA	KEGG	NA	NA
+HMDB03841	5-Amino-6-(5'-phosphoribitylamino)uracil	C9H17N4O9P	356.073303	NA	HMDB2010	NA	NA
+MJ044030	5-Amino-6-(5'-phosphoribitylamino)uracil 	C9H17N4O9P	356.073314	NA	MeJP	NA	NA
+MetaCyc03166	5-amino-6-(5'-phosphoribitylamino)uracil [5-amino-6-(5'-phosphoribitylamino)uracil;5-amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate;]	C9H17N4O9P1	356.073315	NA	metacyc	NA	NA
+MJ044031	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-O-?-D-Glucopyranoside 	C15H16O10	356.074346	NA	MeJP	NA	NA
+MJ044032	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside 	C15H16O10	356.074346	NA	MeJP	NA	NA
+MJ044033	Gliotoxin; S,S'-Me 	C15H20N2O4S2	356.086448	NA	MeJP	NA	NA
+C01531	Sulindac	C20H17FO3S	356.0882	NA	KEGG	NA	NA
+C01532	Synapsin	C20H17FO3S	356.0882	NA	KEGG	NA	NA
+MJ044034	Sulindac 	C20H17FO3S	356.088243	NA	MeJP	NA	NA
+C12372	Tetracenomycin M	C19H16O7	356.0896	NA	KEGG	NA	NA
+C12451	Fridamycin E	C19H16O7	356.0896	NA	KEGG	NA	NA
+FL3FDHNS0001	5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone	C19H16O7	356.0896	89029-11-8	knapsack	NA	NA
+FL3FECNS0022	Ageconyflavone A;3',4'-Methylenedioxy-5,6,7-trimethoxyflavone;2-(1,3-Benzodioxol-5-yl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C19H16O7	356.0896	106636-80-0	knapsack	NA	NA
+FL5F1GNS0002	Kanugin	C19H16O7	356.0896	574-03-8	knapsack	NA	NA
+FL5FDCNS0005	Isokanugin;3,5,7-Trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one	C19H16O7	356.0896	4494-27-3	knapsack	NA	NA
+FL5FF9NS0014	Isognaphalin 8-acetate	C19H16O7	356.0896	98204-86-5	knapsack	NA	NA
+FLIA2GNS0001	6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone	C19H16O7	356.0896	24203-70-1	knapsack	NA	NA
+FLIA2LNS0003	Milldurone	C19H16O7	356.0896	24195-15-1	knapsack	NA	NA
+FLIA3LNS0001	7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone	C19H16O7	356.0896	21495-87-4	knapsack	NA	NA
+FLIA4CNS0001	Petalostetin	C19H16O7	356.0896	71339-42-9	knapsack	NA	NA
+FLIA4CNS0002	8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone	C19H16O7	356.0896	61243-77-4	knapsack	NA	NA
+FLIAE8NS0004	Hemerocallone;5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone	C19H16O7	356.0896	82869-19-0	knapsack	NA	NA
+FLIAECNS0006	Odoratine;5,6,7-Trimethoxy-3',4'-methylenedioxyisoflavone	C19H16O7	356.0896	51986-39-1	knapsack	NA	NA
+FLIAECNS0007	Iriskumaonin methyl ether;3'-O-Methyliriskumaonin;5,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone	C19H16O7	356.0896	2798-43-8	knapsack	NA	NA
+FLIHDCNS0001	Derrusnin;4,5,7-Trimethoxy-3-(3,4-methylenedioxyphenyl)coumarin	C19H16O7	356.0896	14736-62-0	knapsack	NA	NA
+MJ044035	1,3,8,9-Tetrahydroxycoumestan; Tetra-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044036	2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',6,7-tri-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044037	2',4',5',7,8-Pentahydroxyisoflavone; 2',7,8-Tri-Me, 4',5'-methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044038	2',5,5',6,7-Pentahydroxyisoflavone; 2',5,5'-Tri-Me, 6,7-methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044039	3',4',5',6,7-Pentahydroxyisoflavone; 3',6,7-Tri-Me, 4',5'-methylenedioxy ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044040	3',4',5,5',7-Pentahydroxyflavone; 3',4'-Methylene, 5,5',7'-tri-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044041	3',4',5,6,7-Pentahydroxyflavone; 3',4'-Methylene, 5,6,7-tri-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044042	3',4',5,6,7-Pentahydroxyisoflavone; 3',4',5-Tri-Me, 6,7-methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044043	3',4',5,6,7-Pentahydroxyisoflavone; 5,6,7-Tri-Me, 3',4'-methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044044	3',4',5,7,8-Pentahydroxyflavone; 3',4'-Methylene, 5,7,8-tri-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044045	3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,7,8-tri-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044046	3',4',6,7,8-Pentahydroxyisoflavone; 3',4',8-Tri-Me, 6,7-methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044047	3',4',6,7,8-Pentahydroxyisoflavone; 6,7,8-Tri-Me, 3',4'-methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044048	3,3',4',5',7-Pentahydroxyflavone; 4',5'-Methylene 3,3',7-tri-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044049	3,4,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3,4-Di-Me ether, Me ester 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044050	3,5,7,8-Tetrahydroxyflavone; 3,7-Di-Me ether, 8-Ac 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044051	3,7,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3,8-Di-Me ether, Me ester 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044052	5,7-Dihydroxy-6,8-dimethyl-3-(2,3,4-trihydroxybenzyl)chromone; 3',4'-Methylene ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044053	?1-Rhodomycinone 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044054	Austrocorticinic acid 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044055	Butyrolactone II 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044056	Derrusnin 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044057	Fridamycin A; Aglycone 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044058	Methylophiopogonone A; 2,3-Dihydro, 1''-oxo 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044059	Psorofebrin 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044060	Psorospermin; 5'-Hydroxy 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044061	Rhodocomatulin; 7-Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044062	Sterigmatocystin; 1,2-Dihydro, 2-hydroxy, Me ether 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044063	Terphenyllin; 3,3''-Dihydroxy, 6'-O-de-Me 	C19H16O7	356.089602	NA	MeJP	NA	NA
+MJ044064	2-O-?-D-Glucopyranuronosyl-D-mannose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044065	3-O-?-D-Galactopyranuronosyl-D-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044066	3-O-?-D-Glucopyranuronosyl-D-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044067	3-O-?-D-Glucopyranuronosyl-D-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044068	4-O-?-D-Glucopyranuronosyl-D-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044069	4-O-?-D-Glucopyranuronosyl-D-glucose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044070	4-O-?-D-Mannopyranuronosyl-D-glucose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044071	4-O-?-D-Galactopyranuronosyl-D-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044072	4-O-?-D-Glucopyranuronosyl-D-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044073	4-O-?-D-Glucopyranuronosyl-L-galactose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044074	6-O-?-D-Glucopyranuronosyl-D-glucose 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044075	Acaciabiuronic acid 	C12H20O12	356.095476	NA	MeJP	NA	NA
+MJ044076	1,4-Dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid, Me ester 	C16H15F3N2O4	356.098391	NA	MeJP	NA	NA
+C13758	Bay-K-8644	C16H15F3N2O4	356.0984	NA	KEGG	NA	NA
+MJ044077	10-Bromo-3-chamigrene-1,9-diol; 1-Ac 	C17H25BrO3	356.098707	NA	MeJP	NA	NA
+MJ044078	Bufrolin 	C18H16N2O6	356.100836	NA	MeJP	NA	NA
+MJ044079	Minocromil 	C18H16N2O6	356.100836	NA	MeJP	NA	NA
+MJ044080	Dibenzo[b,j]dipyrido[4,3,2-de:2',3',4'-gh][1,10]phenanthroline 	C24H12N4	356.106196	NA	MeJP	NA	NA
+MJ044081	Russupteridine yellow IV; 2-Alcohol 	C12H16N6O7	356.108046	NA	MeJP	NA	NA
+C13403	Sodium caffeine benzoate	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13404	Transferred to D01926	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13405	Transferred to D01927	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13406	Transferred to D01928	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13407	Transferred to D01929	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13408	Transferred to D01930	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13409	Transferred to D01931	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13410	Transferred to D01932	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13411	Transferred to D01933	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13412	Transferred to D01934	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C13413	Transferred to D02589	C8H10N4O2	356.1097	NA	KEGG	NA	NA
+C09782	Gentiopicrin	C16H20O9	356.1107	NA	KEGG	NA	NA
+C17759	1-O-Feruloyl-beta-D-glucose	C16H20O9	356.1107	NA	KEGG	NA	NA
+MJ044082	1-O-p-Coumaroylglucose; ?-D-form, 2'-Hydroxy, 4'-Me ether 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044083	1-O-p-Coumaroylglucose; ?-D-form, 3'-Methoxy 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044084	3-(2,4-Dihydroxyphenyl)-2-propenoic acid, 4-Me ether, 2-O-?-D-glucopyranoside 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044085	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-?-D-Glucopyranoside 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044086	Bergenin; 8,10-Di-Me ether 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044087	Conocarpic acid; Me ester 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044088	Gentiopicroside 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044089	Radiatinol; O-?-D-Glucopyranoside 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044090	Veranisatin A; 15-Carboxylic acid, Me ester 	C16H20O9	356.110732	NA	MeJP	NA	NA
+MJ044091	Clocoumarol 	C21H21ClO3	356.117922	NA	MeJP	NA	NA
+MJ044092	Pioglitazone 	C19H20N2O3S	356.119463	NA	MeJP	NA	NA
+C07675	Pioglitazone	C19H20N2O3S	356.1195	NA	KEGG	NA	NA
+C07676	Transferred to D00596	C19H20N2O3S	356.1195	NA	KEGG	NA	NA
+CJneg0552	Octanoylglucuronide [(M+Cl)]-	C14H24ClO8	356.124325	C18rt(min)=8.06 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0552	Octanoylglucuronide [(M+Cl)]-	C14H24ClO8	356.124325	C18rt(min)=8.06 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+FL1C1ANF0003	Brosimacutin G	C20H20O6	356.12598	350221-50-0	knapsack	NA	NA
+FL1C1LNI0007	Ramosismin;3'-Prenyl-2,4,5,2',4'-pentahydroxychalcone	C20H20O6	356.12598	152340-07-3	knapsack	NA	NA
+FL2F1LNF0001	2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone	C20H20O6	356.12598	376590-18-0	knapsack	NA	NA
+FL2FAANF0006	Phellodensin D;5,4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone	C20H20O6	356.12598	531503-84-1	knapsack	NA	NA
+FL2FAANI0026	Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone	C20H20O6	356.12598	202054-73-7	knapsack	NA	NA
+FL2FACNI0001	6-Prenyleriodictyol	C20H20O6	356.12598	80931-12-0	knapsack	NA	NA
+FL2FACNI0002	8-Prenyleriodictyol	C20H20O6	356.12598	80931-11-9	knapsack	NA	NA
+FL2FACNI0003	Sigmoidin B	C20H20O6	356.12598	87746-47-2	knapsack	NA	NA
+FL2FACNI0007	2'-Prenyleriodictyol	C20H20O6	356.12598	109173-57-1	knapsack	NA	NA
+FL2FACNI0012	Monotesone A;5,7,3'-Trihydroxy-4'-O-prenylflavanone	C20H20O6	356.12598	208596-55-8	knapsack	NA	NA
+FL2FACNI0014	(2S)-5,7,3',4'-Tetrahydroxy-6-(1,1-dimethylallyl)flavanone	C20H20O6	356.12598	192572-94-4	knapsack	NA	NA
+FL2FALNI0029	Leachianone G;5,7,2',4'-Tetrahydroxy-8-prenylflavanone	C20H20O6	356.12598	152464-78-3	knapsack	NA	NA
+FL2FALNP0019	Kenusanone J;(2S)-5,2',4'-Trihydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone	C20H20O6	356.12598	151782-75-1	knapsack	NA	NA
+FL2FFANI0001	Flowerone;5,7,8,4'-Tetrahydroxy-3'-prenylflavanone	C20H20O6	356.12598	642066-47-5	knapsack	NA	NA
+FL3F1ANI0003	Brosimacutin F;8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C20H20O6	356.12598	350221-42-0	knapsack	NA	NA
+FL3FAANP0002	Laurifolin (flavonoid)	C20H20O6	356.12598	-	knapsack	NA	NA
+FL4DAANI0001	Shuterin	C20H20O6	356.12598	105377-77-3	knapsack	NA	NA
+FL4DAANI0002	3,5,4'-Trihydroxy-7-prenyloxyflavanone	C20H20O6	356.12598	78876-50-3	knapsack	NA	NA
+FL4DAANI0003	3,5,7,4'-Tetrahydroxy-8-prenylflavanone	C20H20O6	356.12598	52589-20-5	knapsack	NA	NA
+FL4DAANP0002	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C20H20O6	356.12598	523-60-4	knapsack	NA	NA
+FL5FDBNM0002	Kalmiatin	C20H20O6	356.12598	92830-14-3	knapsack	NA	NA
+FLIB1LNI0003	5-Deoxykievitol	C20H20O6	356.12598	104380-54-3	knapsack	NA	NA
+FLIBALNI0001	Kievitone	C20H20O6	356.12598	40105-60-0	knapsack	NA	NA
+FLIBALNI0006	Diphysolone;5,7,2',4'-Tetrahydroxy-6-prenylisoflavanone	C20H20O6	356.12598	88899-18-7	knapsack	NA	NA
+MJ044093	1,2:15,16-Diepoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044094	1,3,5,8-Tetrahydroxy-2-prenylxanthone; 3,5-Di-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044095	1,3,8-Trihydroxy-6-methylxanthone; 3-O-(2?-Methoxy-3-methyl-3-butenyl) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044096	1-(2,5-Dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone; 3'',4''-Dihydroxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044097	10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 8-(3-Furoyl) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044098	15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044099	15,16-Epoxy-10-hydroxy-2,7,13(16),14-clerodatetraene-17,12:18,19-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044100	15,16-Epoxy-10-hydroxy-3,7,13(16),14-clerodatetraene-17,12:18,19-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044101	15,16-Epoxy-19-hydroxy-3,13(16),14-clerodatriene-19,6:20,12-diolide, 8,17-Didehydro 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044102	15,16-Epoxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, 1?,10?-Epoxide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044103	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 6-Ketone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044104	15,16-Epoxy-6-hydroxy-3,7,13(16),14-clerodatetraene-17,12:18,19-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044105	15,16-Epoxy-6-oxo-7,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044106	15,16-Epoxy-8-hydroxy-1,3,13(16),14-clerodatetraene-17,12:18,6-diolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044107	2',3,4',7-Tetrahydroxy-8-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044108	2',4',5,7-Tetrahydroxy-3'-prenylisoflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044109	2',4',5,7-Tetrahydroxy-6-prenylisoflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044110	2',4',5,7-Tetrahydroxy-8-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044111	2',4',5,7-Tetrahydroxy-8-prenylisoflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044112	2,2',4,4',5-Pentahydroxy-3'-prenylchalcone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044113	2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-3-carboxaldehyde 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044114	2-Hydroxygarveatin B; 15-Oxo 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044115	3',4',5,7-Tetrahydroxy-2'-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044116	3',4',5,7-Tetrahydroxy-5'-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044117	3',4',5,7-Tetrahydroxy-5'-prenylisoflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044118	3',4',5,7-Tetrahydroxy-6-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044119	3',4',5,7-Tetrahydroxy-8-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044120	3',4',5,7-Tetrahydroxyflavanone, 4'-O-(3-Methyl-2-butenyl) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044121	3',4'-Deoxypsorospermin, 3',4'-Dihydro, 3'-hydroxy, 5-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044122	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 7,8-Didehydro, 9-aldehyde, 3',5-di-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044123	3'-O-Demethyldenudanolide B; 3',4'-Methylene ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044124	3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3,4:3',4'-Bis(methylene) ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044125	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044126	3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, 3,3'-Di-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044127	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4'-Methylene ether, 4-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044128	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4'-Methylene, 3-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044129	3,4',5,7-Tetrahydroxy-6,8-dimethylflavone; 3,4',7-Tri-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044130	3,4',5,7-Tetrahydroxy-6-prenylflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044131	3,4',5,7-Tetrahydroxyflavanone, 7-O-(3-Methyl-2-butenyl) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044132	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044133	3-Hydroxy-2-oxo-1(10),3,7(11),8-guaiatetraen-12,6-olide, 3-(2,3-Epoxy-2-methylbutanoyl) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044134	4',5,7-Trihydroxy-8-prenylflavanone, ?3''-Isomer, 2''-hydroxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044135	4',5,7-Trihydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044136	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-Aldehyde, 3',5-di-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044137	4-[[2-(1,3-Benzodioxol-5-yl)carbonyl]-4-hydroxy-5-methoxyphenyl]-3-methyl-2-butanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044138	6-(1,1-Dimethyl-2-propenyl)-3',4',5,7-tetrahydroxyflavanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044139	7,12-Dihydroxy-11,14-dioxo-1,8,10(20),12-icetexatetraen-19,6-olide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044140	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Oxo-3(H)-furan-4-carbonyl) 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044141	Antibiotic SM 196A; 1-Ketone, 6a,12a-epoxide, 12-alcohol 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044142	Antibiotic X 14881B; 6a-Deoxy, 4?-hydroxy, 6a,12a-epoxide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044143	Blepharolide A 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044144	Cardiophyllidin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044145	Cladospirone G 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044146	Cluytene A 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044147	Cubebin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044148	Deoxyherqueinone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044149	Dihydrocarpanone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044150	Erabulenol A 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044151	Excavatin D, 8-Methoxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044152	Fibleucin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044153	Furoguaiaoxidin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044154	Guaiagrazielolide; 8?-Angeloyloxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044155	Guaiagrazielolide; 8?-Tigloyloxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044156	Herpetol 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044157	Herqueichrysin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044158	Horsfieldin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044159	Jamesoniellide F 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044160	Kenusanone J 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044161	Kinobeon A 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044162	Laurifolin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044163	Licoagrodione 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044164	Licofuranone 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044165	Melianoninol 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044166	Methylophiopogonone B; 2,3-Dihydro, 1''-oxo, 7-Me ether 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044167	Naphthgeranine D; 3,4-Dideoxy 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044168	Neophellamuretin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044169	Phellamuretin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044170	Piperitol 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044171	Plaunol A 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044172	Pygmaeocin A; 5,6-Didehydro 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044173	Salvifaricin; 1?,2?-Epoxide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044174	Symphoxanthone; 1,6-Di-Me 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044175	Teuvincenone A; 15,16-Didehydro 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044176	Vismiaguianin B 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044177	Vittragraciliolide 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044178	Xylonic acid, 2,4:3,5-Di-O-benzylidene, Me ester 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044179	Zeyherol 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MJ044180	?-Conidendrin 	C20H20O6	356.125988	NA	MeJP	NA	NA
+MetaCyc03167	kievitone []	C20H20O6	356.125988	62682-11-5	metacyc	NA	NA
+C01590	Kievitone	C20H20O6	356.126	NA	KEGG	NA	NA
+C09166	Plaunol B	C20H20O6	356.126	NA	KEGG	NA	NA
+C10549	Cubebin	C20H20O6	356.126	NA	KEGG	NA	NA
+C18024	Leachianone G	C20H20O6	356.126	NA	KEGG	NA	NA
+MJ044181	Dinazafone 	C20H21ClN2O2	356.129155	NA	MeJP	NA	NA
+MJ044182	2-O-?-D-Glucopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044183	3-O-?-D-Galactofuranosyl-D-mannose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044184	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044185	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044186	4-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044187	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044188	6-O-?-D-Galactofuranosyl-D-mannose; ?-Pyranose-form, Me glycoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044189	Galactinol; 4-Me 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044190	chiro-Inositol, 4-Me, 2-O-?-D-galactopyranoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044191	chiro-Inositol, 4-Me, 2-O-?-D-galactopyranoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044192	chiro-Inositol, 4-Me, 5-O-?-D-galactopyranoside 	C13H24O11	356.131861	NA	MeJP	NA	NA
+MJ044193	Prosultiamine 	C15H24N4O2S2	356.134067	NA	MeJP	NA	NA
+MJ044194	18-Bromo-5,17-octadecadien-7-ynoic acid, 5,6-Dihydro 	C18H29BrO2	356.135092	NA	MeJP	NA	NA
+MJ044195	Metitepine 	C20H24N2S2	356.13809	NA	MeJP	NA	NA
+MJ044196	Colletochlorin A 	C18H25ClO5	356.139051	NA	MeJP	NA	NA
+MJ044197	3,4-Dichloro-N-methyl-N-[2-methyl-1-(1-pyrrolidinylmethyl)propyl]benzeneacetamide 	C18H26Cl2N2O	356.142218	NA	MeJP	NA	NA
+PJ000492	SNH 	C13H20N6O6	356.1444	NA	PeJP	NA	NA
+PJ000493	GGSH 	C13H20N6O6	356.1445	NA	PeJP	NA	NA
+MJ044198	1,2,3,4,10-Pentahydroxy-11(13)-guaien-12,6-olide, 3-Ac 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044199	2,3-Epoxy-1,4,8,10-tetrahydroxy-12,6-guaianolide, 8-Ac 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044200	3-(4-Hydroxyphenyl)-2-pentenedioic acid 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044201	3-Hydroxy-5-phenylpentanoic acid, O-?-D-Glucopyranoside 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044202	4-(3,4-Dihydroxyphenyl)-2-butanone; 3-Me ether, O-?-D-glucopyranoside 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044203	5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-?-D-glucopyranoside 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044204	Feroxidin; 6-O-?-D-Glucopyranoside 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044205	Floridanolide; 14-Acetoxy, 4-oxo 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044206	Synargentolide D; 5-Deoxy, stereoisomer, 2'-Me ether 	C17H24O8	356.147117	NA	MeJP	NA	NA
+MJ044207	Hycanthone 	C20H24N2O2S	356.155848	NA	MeJP	NA	NA
+FL1DA9NP0001	2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone	C21H24O5	356.16237	125574-35-8	knapsack	NA	NA
+FL1DA9NP0002	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone	C21H24O5	356.16237	125574-36-9	knapsack	NA	NA
+FL1DBANI0001	alpha,beta-Dihydroxanthohumol;4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone	C21H24O5	356.16237	102448-00-0	knapsack	NA	NA
+FL1DE9NI0001	2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone	C21H24O5	356.16237	77129-39-6	knapsack	NA	NA
+FL2FA9NI0012	Tephrowatsin C	C21H24O5	356.16237	97640-81-8	knapsack	NA	NA
+FL63BANI0001	8-Prenylafzelechin 5-methyl ether	C21H24O5	356.16237	108803-54-9	knapsack	NA	NA
+FL64CANI0001	4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan	C21H24O5	356.16237	76265-11-7	knapsack	NA	NA
+FLIC1LNI0002	alpha,alpha-dimethylallylcyclolobin	C21H24O5	356.16237	58210-35-8	knapsack	NA	NA
+MJ044208	1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol; 6-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044209	1,6-Dihydro-1,3',4'-trimethoxy-6-oxo-4,7'-epoxy-3,8'-lignan 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044210	2',4',5,7-Tetrahydroxy-6-prenylisoflavan, 5-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044211	2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; ?,?-Dihydro, 6'-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044212	2-(3,4-Dimethoxyphenyl)-3,3a-dihydro-5-methoxy-3-methyl-3a-(2-propenyl)-6(2H)-benzofuranone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044213	2-(3,7-Dimethyl-2,6-octadienyl)-5,7-dihydroxy-3-methyl-1,4-naphthoquinone, 2,3-Epoxide 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044214	2-Geranyl-3,5,7-trihydroxy-6-methyl-1,4-naphthoquinone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044215	2-Methylteretifolione B; 14,15-Dihydro, 15-hydroxy 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044216	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4,4'-Tri-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044217	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 3',4'-Methylene, 4,5-di-Me ether, 7?-alcohol 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044218	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, 4,4',5-Tri-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044219	3,3',4,4',5-Pentahydroxylignan; 3,4:3',4-Bis(methylene), 5-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044220	3,3',4,4',7-Pentahydroxylignan, 7-Ketone, 3',4'-methylene, 3,4-di-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044221	3,3',4,4'-Tetrahydroxylignan, 7'-Oxo, 3,4-methylene, 3',4'-di-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044222	3,4',5,7-Tetrahydroxy-8-prenylflavan, 5-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044223	3,4,4'-Trihydroxy-7,9':7',9-diepoxylignan, Tri-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044224	3,4,9,10-Tetrahydro-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-ol 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044225	3,5,7-Trihydroxy-2,2,6-trimethyl-8-(3-phenyl-1-oxopropyl)-3,4-dihydrobenzopyran 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044226	3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 7'-Deoxy, 3',4'-methylene, 3,4-di-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044227	3-(1,1-Dimethyl-2-propenyl)-4-hydroxy-6-phenyl-2H-pyran-2-one; O-(3-Hydroxy-3-methylbutanoyl) 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044228	3-Phenyl-1-[2,3,4,6-tetrahydroxy-5-(3-methyl-2-butenyl)phenyl]-1-propanone; 3'-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044229	4,4',5,7-Tetrahydroxy-8-prenylflavan, 7-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044230	4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol, 3-(3-Methyl-2-butenoyl), 1-Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044231	4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol, 3-O-(3-Methyl-2-butenoyl), 1-Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044232	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5'-Methoxy, 4',5-di-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044233	4-Allyl-4,5-dimethoxy-2-[2-(3,4-methylenedioxyphenyl)-1-methylethyl]-2,5-cyclohexadien-1-one 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044234	4-Hydroxy-3-methoxy-3',4'-methylenedioxy-7,7'-epoxylignan, Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044235	5'-Deprenylhemihumulone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044236	5-Hydroxy-8,8-dimethyl-6-(1-oxobutyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b']-dipyran-2-one 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044237	5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxopropyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044238	6'-Hydroxy-?-cycloauraptene; ?2',3'-Isomer, Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044239	6'-Hydroxy-?-cycloauraptene; O-Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044240	6-(3-Hydroxy-3-methyl-1-butenyl)-5-methoxy-2,2,8-trimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044241	6-Allyl-6-[2-(3,4-dihydroxyphenyl)-1-methylethyl]-3,4-dihydroxy-2,4-cyclohexadien-1-one; 4,5-Di-Me, 3',4'-methylene ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044242	7,8,8a,9,9a,10-Hexahydro-9-hydroxy-3,7,7,9a-tetramethyl-1H-cyclopenta[i]cyclopropa[f]pyrano[4,3-b][1]-benzopyran-10a(6H)-carboxaldehyde 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044243	7-Hydroxy-11,16-dioxo-8,14-apianadien-20,6-olide 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044244	Antibiotic A 74683A 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044245	Auraptene; 5'-Acetoxy 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044246	Avicennol, Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044247	Carinatol; 7-Ketone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044248	Chalepin, Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044249	Cordatolide A; 8-Epimer, Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044250	Cryptofolione; 6'-Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044251	Deacetylshikonofuran A; 11-O-(3-Methyl-2-butenoyl) 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044252	Deflectin 1a 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044253	Demethylcacalohastine; 14-Propanoyloxy, O-propanoyl 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044254	Denudatin B 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044255	Dihydropleurotinic acid 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044256	Ethuliacoumarin A; 19-De-Me, 9-ethyl 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044257	Eupaglabrin 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044258	Eupodienone 8 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044259	Eusiderin A; 8'-Epimer, 3'-demethoxy 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044260	Fragransol C 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044261	Gingerenone A 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044262	Hancinone B 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044263	Hookerinone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044264	Lancifolin A; 3'-Epimer, O3-de-Me, 3,4-methylene ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044265	Lancifolin A; O3-De-Me, 3,4-methylene ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044266	Lanugone A; 19-Formyloxy 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044267	Leptosphaerodione; 1'?,2-Dihydro 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044268	Liliflodione; 4'-Me ether 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044269	Myricanol; Ketone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044270	Panicein E; 15-Oxo, O-de-Me 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044271	Panicein G; 1'-Aldehyde, 4-hydroxy 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044272	Pleurotin; Hydroquinone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044273	Praealtin A 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044274	Rhoiptelol A 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044275	Saulangianin I 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044276	Sorbifolin; O5-Me 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044277	Tephrowatsin C 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044278	Unanisoflavan, 2'-O-De-Me 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044279	Unanisoflavan, 4'-O-De-Me 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044280	Virolin; 7-Ketone 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MJ044281	Vismione C; 7-Me ether, O-de-Ac 	C21H24O5	356.162373	NA	MeJP	NA	NA
+MetaCyc03168	&alpha;,&beta;-dihydroxanthohumol []	C21H24O5	356.162374	NA	metacyc	NA	NA
+C09308	Rutamarin	C21H24O5	356.1624	NA	KEGG	NA	NA
+C10460	Gingerenone A	C21H24O5	356.1624	NA	KEGG	NA	NA
+C10554	Denudatin B	C21H24O5	356.1624	NA	KEGG	NA	NA
+C10638	Kadsurenone	C21H24O5	356.1624	NA	KEGG	NA	NA
+MJ044282	Alangiobussine 	C22H20N4O	356.163711	NA	MeJP	NA	NA
+MJ044283	Dipegine 	C22H20N4O	356.163711	NA	MeJP	NA	NA
+MJ044284	Affinisine; N4-(Chloromethyl) 	C21H26ClN2O(+)	356.165541	NA	MeJP	NA	NA
+MJ044285	Karabemycin 	C15H24N4O6	356.169584	NA	MeJP	NA	NA
+PJ000494	GSPP 	C15H24N4O6	356.1696	NA	PeJP	NA	NA
+C12574	Pheniramine maleate	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12575	Transferred to D01175	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12576	Transferred to D01176	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12577	Transferred to D01177	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12578	Transferred to D01178	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12579	Transferred to D01179	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12580	Transferred to D01180	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12581	Transferred to D01181	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12582	Transferred to D01182	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12583	Transferred to D01183	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12584	Transferred to D01184	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12585	Transferred to D01185	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12586	Transferred to D01186	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12587	Transferred to D01187	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12588	Transferred to D01188	C16H20N2	356.1736	NA	KEGG	NA	NA
+C12589	Transferred to D01189	C16H20N2	356.1736	NA	KEGG	NA	NA
+MJ044286	2,7-Dihydroxypleiocarpamine 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044287	Alkaloid LA 5 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044288	Compactinervine 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044289	Diazaquinomycin B 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044290	Echitamidine, 12-Hydroxy, 19,20-diepimer 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044291	Echitamidine, 12-Hydroxy, 20-epimer 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044292	Echitamidine, 19,20-Diepimer, Nb-oxide 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044293	Echitamidine, Nb-Oxide 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044294	Gelsedine; 11-Methoxy, 4,20-didehydro 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044295	Humantenirine; O11-De-Me 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044296	Vallesamine, Nb-Oxide 	C20H24N2O4	356.173607	NA	MeJP	NA	NA
+MJ044297	1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 8-Ac, Me ester 	C18H28O7	356.183503	NA	MeJP	NA	NA
+MJ044298	2-Pinen-10-ol, O-(6-O-Acetyl-?-D-glucopyranoside) 	C18H28O7	356.183503	NA	MeJP	NA	NA
+MJ044299	2-Pinen-4-ol, O-(6-O-Acetyl-?-D-glucopyranoside) 	C18H28O7	356.183503	NA	MeJP	NA	NA
+MJ044300	2-Pinen-6-ol, O-(2-Acetyl-?-D-glucopyranoside) 	C18H28O7	356.183503	NA	MeJP	NA	NA
+MJ044301	2-Pinen-6-ol, O-(6-Acetyl-?-D-glucopyranoside) 	C18H28O7	356.183503	NA	MeJP	NA	NA
+MJ044302	6-[3-(3,6-Dihydro-6-propyl-1,2-dioxin-3-yl)propyl]-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid; Me ester 	C18H28O7	356.183503	NA	MeJP	NA	NA
+MJ044303	Antibiotic SEN 366D1 	C18H28O7	356.183503	NA	MeJP	NA	NA
+C14960	1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol	C19H32O2S2	356.1844	NA	KEGG	NA	NA
+MJ044304	Pibutidine 	C19H24N4O3	356.18484	NA	MeJP	NA	NA
+MJ044305	Lirioferine, N-Me 	C21H26NO4	356.186183	NA	MeJP	NA	NA
+MJ044306	Fluanisone 	C21H25FN2O2	356.190006	NA	MeJP	NA	NA
+MJ044307	N-Methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzo[b]thiophene-4-acetamide 	C21H28N2OS	356.192234	NA	MeJP	NA	NA
+3542	ACE inhibitor	LQP	356.194	ACE inhibitor	Inhouse_peptide	NA	peptide
+7822	ACE inhibitor from micro algae	IAPG	356.194	antithrombotic	Inhouse_peptide	NA	peptide
+8184	ACE Inhibitor	IQP	356.194	NA  ;SYN:1 methylhistidine; 1-methyl histidine; 1-MHis; 1-Methyl-Histidine; 1-Methyl-L-histidine; 1-N-Methyl-L-histidine; L-1-Methylhistidine; N1-Methyl-L-histidine; pi-methylhistidineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+FL6FA9NI0002	Nitenin	C22H28O4	356.19875	92590-02-8	knapsack	NA	NA
+MJ044308	1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, benzoyl 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044309	Corallidictyal A 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044310	Crocetin, Di-Me ester 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044311	Cyclospongiaquinone 1; 9,11-Didehydro 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044312	Galbulin 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044313	Malabaricone A; 4'-Hydroxy, 2-Me ether 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044314	Metachromin E 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044315	Nitenin 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044316	Panicein E 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044317	Panicein G; 3-Me ether 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044318	Piperochromanoic acid 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044319	Renierin B 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044320	Tridachiapyrone E 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044321	Tridachiapyrone I 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044322	Turriculoic acid D; 14'-Aldehyde 	C22H28O4	356.198759	NA	MeJP	NA	NA
+MJ044323	Verecynarmin A 	C22H28O4	356.198759	NA	MeJP	NA	NA
+C15267	(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester	C22H28O4	356.1988	NA	KEGG	NA	NA
+MJ044324	Tampramine 	C23H24N4	356.200096	NA	MeJP	NA	NA
+CJneg0553	Octanoylcarnitine [(M-H)+(HCOONa)]- (13C)	C1513CH29NNaO6	356.201025	C18rt(min)=7.86 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0554	Octanoylcarnitine isomer [(M-H)+(HCOONa)]- (13C)	C1513CH29NNaO6	356.201025	C18rt(min)=7.5 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0553	Octanoylcarnitine [(M-H)+(HCOONa)]- (13C)	C1513CH29NNaO6	356.201025	C18rt(min)=7.86 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0554	Octanoylcarnitine isomer [(M-H)+(HCOONa)]- (13C)	C1513CH29NNaO6	356.201025	C18rt(min)=7.5 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ044325	Niaprazine 	C20H25FN4O	356.201239	NA	MeJP	NA	NA
+PJ000495	PLQ 	C16H28N4O5	356.206	NA	PeJP	NA	NA
+MJ044326	16,17-Dihydrosecodin-17-ol 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044327	3-Hydroxy-3,4-secocoronaridine 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044328	5-[7-[4-(4,5-Dihydro-4-methyl-2-oxazolyl)phenoxy]heptyl]-3-methylisoxazole 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044329	Anomaline; Demethoxy 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044330	Aspidocarpine; O-De-Me 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044331	Cylindrocarine 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044332	Cylindrocarpinolyl 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044333	Dregamine; 3R-Alcohol 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044334	Kisantine 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044335	Limapodine 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044336	Raumacline; 19S-Hydroxy, Nb-Me 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044337	Rhyncophylline, 7-Epimer, demethoxy, 16,17-dihydro 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044338	Sitsirikine; 16-Epimer, dihydro 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044339	Sitsirikine; Dihydro 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+MJ044340	Spegazzinine 	C21H28N2O3	356.209992	NA	MeJP	NA	NA
+C06497	WIN I(S)	C21H28N2O3	356.21	NA	KEGG	NA	NA
+MJ044341	15-Chloro-8,13-epoxy-14-hydroxy-3-labdanone 	C20H33ClO3	356.211822	NA	MeJP	NA	NA
+MJ044342	15-Chloro-8-labdene-3,13,14-triol, 3-Ketone 	C20H33ClO3	356.211822	NA	MeJP	NA	NA
+MJ044343	5,7-Megastigmadien-9-ol, O-?-D-Glucopyranoside 	C19H32O6	356.219888	NA	MeJP	NA	NA
+MJ044344	Deacetyldihydrobotrydial; 15?-Methoxy, 10-Me ether, 4-Ac 	C19H32O6	356.219888	NA	MeJP	NA	NA
+MJ044345	Octalactin B; 10?,11?-Epoxide 	C19H32O6	356.219888	NA	MeJP	NA	NA
+MJ044346	8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione 	C20H28N4O2	356.221226	NA	MeJP	NA	NA
+MJ044347	7,20-Diisocyanoisocycloamphilectane; 7-Isothiocyanate 	C22H32N2S	356.228619	NA	MeJP	NA	NA
+MJ044348	7-Isocyano-15-isothiocyanato-11(20)-amphilectene 	C22H32N2S	356.228619	NA	MeJP	NA	NA
+3349	ACE inhibitor	IKP	356.23	celiac toxic	Inhouse_peptide	NA	peptide
+7549	ACE inhibitor	LKP	356.23	antioxidative	Inhouse_peptide	NA	peptide
+8216	Antioxidative peptide	LKP	356.23	Tripeptides  ;SYN:5-L-Glutamyl-L-cysteinylglycine; Agifutol S; Bakezyme RX; Copren; Deltathione; GSH; Glutathion; Glutathione; Glutathione red; Glutathione reduced; Glutathione-SH; Glutatiol; Glutatione; Glutide; Glutinal; L-g-glutamyl-L-cysteinyl-glycine; L-gamma-glutamyl-L-cysteinyl-glycine; Isethion; L-Glutathione; L-Glutathione reduce; L-gamma-glutamyl-L-cysteinylglycine; L-glutamyl-L-cysteinylglycine; Ledac; Neuthion; Reduced glutathione; Tathion; Tathione; Triptide; gamma-Glutamylcysteinylglycine; gamma-L-Glutamyl-L-cysteinylglycine; gamma-L-glutamyl-L-cysteinyl-glycine; red, glutathioneH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+38	Aldolase	LKP	356.231	celiac toxic	Inhouse_peptide	NA	peptide
+C01397	AACOCF3	C21H31F3O	356.2327	NA	KEGG	NA	NA
+C01398	Acyloin	C2H2O2R2	356.2327	NA	KEGG	NA	NA
+C01399	Agarose	C2H2O2R2	356.2327	NA	KEGG	NA	NA
+MJ044349	1,1,1-Trifluoro-6,9,12,15-heneicosatetraen-2-one 	C21H31F3O	356.2327	NA	MeJP	NA	NA
+MJ044350	Chrysophysarin A 	C21H30N3O2	356.233802	NA	MeJP	NA	NA
+C12859	Estradiol valerate	C23H32O3	356.2351	NA	KEGG	NA	NA
+C12860	Transferred to D01414	C23H32O3	356.2351	NA	KEGG	NA	NA
+C14503	16-Dehydropregnenolone acetate	C23H32O3	356.2351	NA	KEGG	NA	NA
+MJ044351	1-(2,4-Dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadien-1-one; 6E-form 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044352	11-Hydroxypregna-4,20-dien-3-one; 11?-form, Ac 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044353	13-(Hydroxymethyl)-1-(2-hydroxyphenyl)-5,9-dimethyl-4,8,12-tetradecatrien-1-one 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044354	16-Hydroxypregna-4,17(20)-dien-3-one, Ac 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044355	3-Hydroxycarda-14,20(22)-dienolide 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044356	4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid; 4-Me ether 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044357	5-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-2-oxabicyclo[3.3.1]non-7-ene-3,6-dione 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044358	6-(1,3,5,7,9,11,15-Heptadecaheptaenyl)-4-methoxy-2H-pyran-2-one, 13',14'-Didehydro, 1',2',3',4',9',10',15',16'-octahydro 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044359	6-(1,3,5,7,9,11,15-Heptadecaheptaenyl)-4-methoxy-2H-pyran-2-one, 13',14'-Didehydro, 1',2',7',8',9',10',15',16'-octahydro 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044360	Antibiotic LL-Z 1272? 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044361	Avarol; 5'-Ac 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044362	Dactylosponol 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044363	Dictyoceratin C 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044364	Dshamirone 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044365	Estra-1,3,5(10)-triene-3,16,17-triol, 3-Cyclopentyl ether 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044366	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(2,2-Dimethylpropanoyl) 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044367	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Pentanoyl 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044368	Hyrtiophenol 	C23H32O3	356.235144	NA	MeJP	NA	NA
+MJ044369	Pregna-1,20-diene-3,16-diol, 3-Ketone, 16-Ac 	C23H32O3	356.235144	NA	MeJP	NA	NA
+PJ000496	PLK 	C17H32N4O4	356.2424	NA	PeJP	NA	NA
+MJ044370	Dopexamine 	C22H32N2O2	356.246378	NA	MeJP	NA	NA
+MJ044371	Kalihinene; 6?-Hydroxy 	C22H32N2O2	356.246378	NA	MeJP	NA	NA
+MJ044372	Kalihinol C 	C22H32N2O2	356.246378	NA	MeJP	NA	NA
+MJ044373	Kalihinol K 	C22H32N2O2	356.246378	NA	MeJP	NA	NA
+MJ044374	N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]benzeneacetamide 	C22H32N2O2	356.246378	NA	MeJP	NA	NA
+HMDB02689	13,14-dihydro PGE1	C20H36O5	356.25626	http://www.hmdb.ca/metabolites/HMDB02689	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02685	Prostaglandin F1alpha	C20H36O5	356.25626	http://www.hmdb.ca/metabolites/HMDB02685	HMDB	NA	NA
+HMDB02689	13,14-dihydro PGE1	C20H36O5	356.25626	http://www.hmdb.ca/metabolites/HMDB02689	HMDB	NA	NA
+HMDB04239	13,14-dihydro PGF2a	C20H36O5	356.25626	http://www.hmdb.ca/metabolites/HMDB04239	HMDB	NA	NA
+HMDB02689	13,14-dihydro PGE1	C20H36O5	356.25626	http://www.hmdb.ca/metabolites/HMDB02689	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02685	Prostaglandin F1alpha	C20H36O5	356.25626	HMDB02685	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02689	13,14-dihydro PGE1	C20H36O5	356.25626	HMDB02689	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04239	13,14-dihydro PGF2a	C20H36O5	356.25626	HMDB04239	PFEM_hmdb_metabocards_official	NA	NA
+MJ044375	13-Clerodene-2,3,4,15,16-pentol 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044376	13-Clerodene-6,15,16,18,19-pentol 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044377	2,3,14,15,16-Pimaranepentol 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044378	2,3,4-Trihydroxy-15-clerodanoic acid 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044379	4,15,16-Trihydroxy-4,5-seco-5-rosanone, 18-Hydroxy 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044380	8,13-Epoxy-14,15,16,19-labdanetetrol 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044381	9,11,15-Trihydroxyprost-13-enoic acid 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044382	9,13-Epoxy-3,15,16,18-labdanetetrol 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044383	Blepharizone 	C20H36O5	356.256274	NA	MeJP	NA	NA
+MJ044384	Ligantrol 	C20H36O5	356.256274	NA	MeJP	NA	NA
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	HMDB	NA	NA
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	Inhouse_PFEM	NA	NA
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.256275	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02685	Prostaglandin F1a	C20H36O5	356.256287	NA	HMDB2010	NA	NA
+HMDB02689	13,14-Dihydro PGE1	C20H36O5	356.256287	NA	HMDB2010	NA	NA
+HMDB04239	13,14-Dihydro PGF2a	C20H36O5	356.256287	NA	HMDB2010	NA	NA
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.2563	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.2563	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.2563	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR178	ProstaglandinF1a(PGF1a)	C20H36O5	356.2563	Wishlist	Inhousejuil11	NA	NA
+C06475	Prostaglandin F1alpha	C20H36O5	356.2563	NA	KEGG	NA	NA
+MJ044385	Glutamine, N2-Tetradecanoyl 	C19H36N2O4	356.267507	NA	MeJP	NA	NA
+C16185	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester	C24H36O2	356.2715	NA	KEGG	NA	NA
+HMDB02007	Tetracosahexaenoic acid	C24H36O2	356.27151	http://www.hmdb.ca/metabolites/HMDB02007	HMDB	NA	NA
+HMDB02007	Tetracosahexaenoic acid	C24H36O2	356.27151	HMDB02007	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02007	Tetracosahexaenoic acid	C24H36O2	356.271515	NA	HMDB2010	NA	NA
+MJ044386	5-Heptadecyl-1,3-benzenediol; 8',9',11',12',14',15'-Hexadehydro(all-Z), mono-Me ether 	C24H36O2	356.27153	NA	MeJP	NA	NA
+MJ044387	6,9,12,15,18,21-Tetracosahexaenoic acid 	C24H36O2	356.27153	NA	MeJP	NA	NA
+MJ044388	3-Amino-23-norcon-5-enin-18-one, N3,N3-Di-Me 	C23H36N2O	356.282763	NA	MeJP	NA	NA
+MJ044389	3-(2-Heptenyloxy)-1,2-propanediol, 3-Undecanoyl 	C21H40O4	356.292659	NA	MeJP	NA	NA
+MJ044390	3-Hydroxy-16-methylheptadecanoic acid; Ac, Me ester 	C21H40O4	356.292659	NA	MeJP	NA	NA
+MJ044391	5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 3,5-Dimethyl-5-tetradecyl-1,2-dioxolane-3-acetic acid 	C21H40O4	356.292659	NA	MeJP	NA	NA
+MJ044392	Amphiasterin B1; 11',12'-Dihydro 	C21H40O4	356.292659	NA	MeJP	NA	NA
+MJ044393	Secoplakortide H; 11,12-Dihydro 	C21H40O4	356.292659	NA	MeJP	NA	NA
+HMDB11536	MG(0:0/18:1(11Z)/0:0)	C21H40O4	356.292664	NA	HMDB2010	NA	NA
+HMDB11537	MG(0:0/18:1(9Z)/0:0)	C21H40O4	356.292664	NA	HMDB2010	NA	NA
+HMDB11566	MG(18:1(11Z)/0:0/0:0)	C21H40O4	356.292664	NA	HMDB2010	NA	NA
+HMDB11567	MG(18:1(9Z)/0:0/0:0)	C21H40O4	356.292664	NA	HMDB2010	NA	NA
+MJ044394	2,7,18-Ophiobolatrien-24-ol 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044395	3(20),7,18-Ophiobolatrien-24-ol 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044396	Astellatol 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044397	Cericerene; 24-Hydroxy 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044398	Ceriferol 1 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044399	Flocerol 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044400	Nitiol 	C25H40O	356.307915	NA	MeJP	NA	NA
+MJ044401	?-Cericerol I 	C25H40O	356.307915	NA	MeJP	NA	NA
+C06545	Conessine	C24H40N2	356.3191	NA	KEGG	NA	NA
+MJ044402	Conessine 	C24H40N2	356.319149	NA	MeJP	NA	NA
+MJ044403	Pregna-5,16-diene-3,20-diamine, N3,N20,N20-Tri-Me 	C24H40N2	356.319149	NA	MeJP	NA	NA
+C03049	13-Hydroxydocosanoic acid	C22H44O3	356.329	NA	KEGG	NA	NA
+MJ044404	13-Hydroxydocosanoic acid 	C22H44O3	356.329045	NA	MeJP	NA	NA
+MJ044405	13-Hydroxyheneicosanoic acid; Me ether 	C22H44O3	356.329045	NA	MeJP	NA	NA
+MJ044406	2-Hydroxydocosanoic acid 	C22H44O3	356.329045	NA	MeJP	NA	NA
+MJ044407	22-Hydroxydocosanoic acid 	C22H44O3	356.329045	NA	MeJP	NA	NA
+MetaCyc03169	13-hydroxydocosanoate []	C22H44O3	356.329045	NA	metacyc	NA	NA
+MJ044408	6,8-Tricosanediol 	C23H48O2	356.36543	NA	MeJP	NA	NA
+7825	ACE inhibitor	PSGQYY	356.6445	MH2+	Inhouse_peptide	NA	peptide
+8	Myosin	MNPPKQ	356.671	MH2+	Inhouse_peptide	NA	peptide
+MJ044409	Pyrrolomycin D 	C11H4Cl5NO2	356.868466	NA	MeJP	NA	NA
+MJ044410	Psammaplin B 	C12H12BrN3O3S	356.978274	NA	MeJP	NA	NA
+MJ044411	Pluracidomycin A1 	C9H11NO10S2	356.982436	NA	MeJP	NA	NA
+MJ044412	Hydroxy(4-hydroxy-3-nitrophenyl)mercury 	C6H5HgNO4	356.992483	NA	MeJP	NA	NA
+MJ044413	Florfenicol 	C12H14Cl2FNO4S	357.000462	NA	MeJP	NA	NA
+MJ044414	Midaflur 	C7H3F12N3	357.013535	NA	MeJP	NA	NA
+MJ044415	Gerrardine; 1',1''-S-Dioxide 	C11H19NO4S4	357.01969	NA	MeJP	NA	NA
+MJ044416	1,2-Ethanediamine[propanedioato(2-)-O,O']platinum(II) 	C5H10N2O4Pt	357.028831	NA	MeJP	NA	NA
+C05071	Chlorsulfuron	C12H12ClN5O4S	357.0299	NA	KEGG	NA	NA
+MJ044417	Droxicam 	C16H11N3O5S	357.041941	NA	MeJP	NA	NA
+MJ044418	2-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C17H11NO8	357.048466	NA	MeJP	NA	NA
+MJ044419	6-Hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C17H11NO8	357.048466	NA	MeJP	NA	NA
+MJ044420	6-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C17H11NO8	357.048466	NA	MeJP	NA	NA
+MJ044421	7-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C17H11NO8	357.048466	NA	MeJP	NA	NA
+MJ044422	8-Hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C17H11NO8	357.048466	NA	MeJP	NA	NA
+C01621	Tolrestat	C16H14F3NO3S	357.0646	NA	KEGG	NA	NA
+MJ044423	Tolrestat 	C16H14F3NO3S	357.064648	NA	MeJP	NA	NA
+MJ044424	Cinolazepam 	C18H13ClFN3O2	357.068032	NA	MeJP	NA	NA
+MJ044425	Oximonam 	C12H15N5O6S	357.074303	NA	MeJP	NA	NA
+MJ044426	Antibiotic BE 13793C 	C20H11N3O4	357.074955	NA	MeJP	NA	NA
+MJ044427	Arcyriaflavin A; 2,10-Dihydroxy 	C20H11N3O4	357.074955	NA	MeJP	NA	NA
+MJ044428	Arcyriaflavin A; 2,9-Dihydroxy 	C20H11N3O4	357.074955	NA	MeJP	NA	NA
+MJ044429	Arcyroxocin A; 2-Hydroxy 	C20H11N3O4	357.074955	NA	MeJP	NA	NA
+MJ044430	Arcyroxocin A; N6-Hydroxy 	C20H11N3O4	357.074955	NA	MeJP	NA	NA
+MJ044431	Clometacin 	C19H16ClNO4	357.076785	NA	MeJP	NA	NA
+MJ044432	Indometacin 	C19H16ClNO4	357.076785	NA	MeJP	NA	NA
+MJ044433	Rilopirox 	C19H16ClNO4	357.076785	NA	MeJP	NA	NA
+C01926	Indomethacin	C19H16ClNO4	357.0768	NA	KEGG	NA	NA
+MJ044434	3,4,6-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Di-Me ether, Me ester 	C18H15NO7	357.084851	NA	MeJP	NA	NA
+MJ044435	3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 4,8-Di-Me ether, Me ester 	C18H15NO7	357.084851	NA	MeJP	NA	NA
+MJ044436	Balsalazide 	C17H15N3O6	357.096085	NA	MeJP	NA	NA
+MJ044437	Deacetoxycephalosporin C 	C14H19N3O6S	357.099456	NA	MeJP	NA	NA
+C06565	Deacetoxycephalosporin C	C14H19N3O6S	357.0995	NA	KEGG	NA	NA
+MJ044438	Bendamustine 	C16H21Cl2N3O2	357.101082	NA	MeJP	NA	NA
+MJ044439	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 7-Me ether, 2-O-?-D-glucopyranoside 	C15H19NO9	357.105981	NA	MeJP	NA	NA
+MJ044440	Cyclodopa, 5-?-D-Glucoside 	C15H19NO9	357.105981	NA	MeJP	NA	NA
+MetaCyc03170	4-O-methyl-DIBOA-Glc [4-O-met-DIBOA-Glc;]	C15H19N1O9	357.105981	NA	metacyc	NA	NA
+C17751	cyclo-Dopa 5-O-glucoside	C15H19NO9	357.106	NA	KEGG	NA	NA
+MJ044441	Etibendazol 	C18H16FN3O4	357.112484	NA	MeJP	NA	NA
+MJ044442	Rumbrin 	C20H20ClNO3	357.113171	NA	MeJP	NA	NA
+MJ044443	Rosiglitazone 	C18H19N3O3S	357.114712	NA	MeJP	NA	NA
+HMDB05031	Rosiglitazone	C18H19N3O3S	357.114716	NA	HMDB2010	NA	NA
+HMDB05031	Rosiglitazone	C18H19N3O3S	357.11472	http://www.hmdb.ca/metabolites/HMDB05031	HMDB	NA	NA
+HMDB05031	Rosiglitazone	C18H19N3O3S	357.11472	HMDB05031	PFEM_hmdb_metabocards_official	NA	NA
+MJ044444	Etersalate 	C19H19NO6	357.121237	NA	MeJP	NA	NA
+MJ044445	Gravacridonetriol 	C19H19NO6	357.121237	NA	MeJP	NA	NA
+MJ044446	Spixianine; N-Oxide 	C19H19NO6	357.121237	NA	MeJP	NA	NA
+MJ044447	Stepharotine, O2,O9-Di-O-de-Me, 8-oxo 	C19H19NO6	357.121237	NA	MeJP	NA	NA
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	HMDB	NA	NA
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	Inhouse_PFEM	NA	NA
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC002	3 methoxy Paracetamol glucuronide	C18H19N3O3S	357.1228	RT5.5	PFEM_hmdb_metabocards_official	NA	NA
+PJ000497	SDH 	C13H19N5O7	357.1285	NA	PeJP	NA	NA
+CJneg0555	Dimethylguanosine [(M-H)+(HCOOH)]-	C13H18N5O7	357.129025	C18rt(min)=4.71 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0555	Dimethylguanosine [(M-H)+(HCOOH)]-	C13H18N5O7	357.129025	C18rt(min)=4.71 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ044448	Caraberstat 	C20H20FNO4	357.137636	NA	MeJP	NA	NA
+C14917	9-Thiocyanato-androst-4-ene-3,11,17-trione	C20H23NO3S	357.1399	NA	KEGG	NA	NA
+MJ044449	Bakankoside 	C16H23NO8	357.142366	NA	MeJP	NA	NA
+MJ044450	Dopamine; N-Ac, 3-O-?-glucopyranoside 	C16H23NO8	357.142366	NA	MeJP	NA	NA
+MJ044451	Dopamine; N-Ac, 4-O-?-D-glucopyranoside 	C16H23NO8	357.142366	NA	MeJP	NA	NA
+C09914	Bakankoside	C16H23NO8	357.1424	NA	KEGG	NA	NA
+MJ044452	Adenosine; 6N-Benzyl 	C17H19N5O4	357.143704	NA	MeJP	NA	NA
+PJ000498	AMH 	C14H23N5O4S	357.1471	NA	PeJP	NA	NA
+MJ044453	Cystodytins; Cystodytin A 	C22H19N3O2	357.147726	NA	MeJP	NA	NA
+MJ044454	Cystodytins; Cystodytin B 	C22H19N3O2	357.147726	NA	MeJP	NA	NA
+MJ044455	Danofloxacin 	C19H20FN3O3	357.148869	NA	MeJP	NA	NA
+MJ044456	Quillifoline 	C21H24ClNO2	357.149556	NA	MeJP	NA	NA
+C16712	Deacetylcolchicine	C20H23NO5	357.1576	NA	KEGG	NA	NA
+MJ044457	3-Demethoxy-2,3-methylenedioxyerythroculine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044458	Androbine, N-De-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044459	Capaurimine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044460	Caseadine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044461	Cataline; O2-De-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044462	Cephasamine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044463	Ciproquinate 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044464	Corydalmine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044465	Corydalmine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044466	Corydine, 4R-Hydroxy 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044467	Corydine, 4S-Hydroxy 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044468	Corydine, N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044469	Cularine, N-Oxide (?-) 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044470	Danguyelline, N-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044471	Delavaine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044472	Demecolceine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044473	Demecolcine, O2-De-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044474	Demecolcine, O3-De-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044475	Flavinine, O,N-Di-Me, N-oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044476	Fuligorubin A 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044477	Galanthamine, N-De-Me, O,N-di-Ac 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044478	Isocorydine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044479	Isocorydine, 4R-Hydroxy 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044480	Isocorypalmine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044481	Isocorypalmine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044482	Jamtine; 6-Oxo 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044483	Lauroscholtzine, ?-N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044484	Malacitanine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044485	Muramine; O2,O3-Di-de-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044486	N-Deacetylcolchicine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044487	Oconovine, N-De-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044488	Orientinine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044489	Pallidine; Me ether, N-oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044490	Pluviine; O10-De-Me, di-Ac 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044491	Rhodophiala Base XXV 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044492	Sarcocapnidine; 4R-Hydroxy, Me ether 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044493	Sarcocapnidine; Me ether, N-oxide (?-) 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044494	Stephabinamine 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044495	Thaicanine, O10-De-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044496	Thalicsimidine, O1,N-Di-de-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044497	Thalicsimidine, O3,N-Di-de-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044498	Thalicsimidine, O3,O9-Di-de-Me 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+MJ044499	Thaliporphine, N-Oxide 	C20H23NO5	357.157622	NA	MeJP	NA	NA
+PJ000499	TTH 	C14H23N5O6	357.1648	NA	PeJP	NA	NA
+MJ044500	Antibiotic BAY q 1313 	C14H23N5O6	357.164833	NA	MeJP	NA	NA
+PJ000500	GGPQ 	C14H23N5O6	357.1649	NA	PeJP	NA	NA
+MJ044501	7-Cyano-5,7,8,9,10,11,11a,12-octahydro-5-(hydroxymethyl)-4-methoxy-13-methyl-8,11-iminoazepino[1,2-b]isoquinoline-10-carboxylic acid 	C19H23N3O4	357.168856	NA	MeJP	NA	NA
+MJ044502	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-(1-Methyl-2-pyrrolecarbonyl), 3-O-(2-pyrrolecarbonyl) 	C19H23N3O4	357.168856	NA	MeJP	NA	NA
+MJ044503	Antibiotic A 65636 	C19H23N3O4	357.168856	NA	MeJP	NA	NA
+MJ044504	Mazethramycin A; Et ether 	C19H23N3O4	357.168856	NA	MeJP	NA	NA
+MJ044505	Porothramycin A; Me ether 	C19H23N3O4	357.168856	NA	MeJP	NA	NA
+MJ044506	3-Butyl-3-ethyl-2,3,4,5-tetrahydro-5-phenyl-1,4-benzothiazepine, S,S-Dioxide 	C21H27NO2S	357.176249	NA	MeJP	NA	NA
+7859	ACE inhibitor	IEP	357.178	ACE inhibitor	Inhouse_peptide	NA	peptide
+8139	synthetic peptide	PEL	357.178	stimulating	Inhouse_peptide	NA	peptide
+MJ044507	Indicine; 3'-Ac, N-oxide 	C17H27NO7	357.178752	NA	MeJP	NA	NA
+MJ044508	Ipanguline D3; 2'',3''-Di-Ac 	C17H27NO7	357.178752	NA	MeJP	NA	NA
+MJ044509	Uplandicine 	C17H27NO7	357.178752	NA	MeJP	NA	NA
+C10412	Uplandicine	C17H27NO7	357.1788	NA	KEGG	NA	NA
+MJ044510	Cafedrine 	C18H23N5O3	357.180089	NA	MeJP	NA	NA
+MJ044511	Flupranone 	C20H24FN3O2	357.185255	NA	MeJP	NA	NA
+MJ044512	Nardeterol 	C20H24FN3O2	357.185255	NA	MeJP	NA	NA
+MJ044513	Setastine 	C22H28ClNO	357.185942	NA	MeJP	NA	NA
+MJ044514	Antibiotic UCK 14C 	C16H27N3O6	357.189985	NA	MeJP	NA	NA
+MJ044515	Belactosin C 	C16H27N3O6	357.189985	NA	MeJP	NA	NA
+PJ000501	PLE 	C16H27N3O6	357.19	NA	PeJP	NA	NA
+C07251	Nalbuphine	C21H27NO4	357.194	NA	KEGG	NA	NA
+C09558	Laudanosine	C21H27NO4	357.194	NA	KEGG	NA	NA
+MJ044516	Epilupinine, O-(4-Acetoxy-E-cinnamoyl) 	C21H27NO4	357.194008	NA	MeJP	NA	NA
+MJ044517	Hetidine 	C21H27NO4	357.194008	NA	MeJP	NA	NA
+MJ044518	Laudanosine 	C21H27NO4	357.194008	NA	MeJP	NA	NA
+MJ044519	Nalbuphine 	C21H27NO4	357.194008	NA	MeJP	NA	NA
+MJ044520	Protostephanine 	C21H27NO4	357.194008	NA	MeJP	NA	NA
+MJ044521	Sczukidine 	C21H27NO4	357.194008	NA	MeJP	NA	NA
+MJ044522	Laudanidine, N-Me 	C21H28NO4(+)	357.194008	NA	MeJP	NA	NA
+MJ044523	Miltanthine 	C21H28NO4(+)	357.194008	NA	MeJP	NA	NA
+MJ044524	Pseudolaudanine, N-Me 	C21H28NO4(+)	357.194008	NA	MeJP	NA	NA
+C01341	E-64	C15H27N5O5	357.2012	NA	KEGG	NA	NA
+PJ000502	PNK 	C15H27N5O5	357.2012	NA	PeJP	NA	NA
+MJ044525	Rexostatine 	C15H27N5O5	357.201218	NA	MeJP	NA	NA
+C10757	Calpurnine	C20H27N3O3	357.2052	NA	KEGG	NA	NA
+MJ044526	Calpurnine 	C20H27N3O3	357.205241	NA	MeJP	NA	NA
+MJ044527	Virgiline; 2-Pyrrolecarboxylate 	C20H27N3O3	357.205241	NA	MeJP	NA	NA
+MJ044528	Cinfenine 	C25H27NO	357.209264	NA	MeJP	NA	NA
+C16546	N-Desmethyltamoxifen	C25H27NO	357.2093	NA	KEGG	NA	NA
+MJ044529	Broussonetine R 	C18H31NO6	357.215137	NA	MeJP	NA	NA
+MJ044530	Ipanguline D3; 2''-Epimer, 7-O-(2-methylbutanoyl) 	C18H31NO6	357.215137	NA	MeJP	NA	NA
+MJ044531	Ipanguline D3; 3''-(2-Methylbutanoyl) 	C18H31NO6	357.215137	NA	MeJP	NA	NA
+MJ044532	Ipanguline D3; 7-O-(2-Methylbutanoyl) 	C18H31NO6	357.215137	NA	MeJP	NA	NA
+MJ044533	Centphenaquin 	C24H27N3	357.220497	NA	MeJP	NA	NA
+MJ044534	4-(4-Fluorophenyl)-2-methyl-6-[[5-(1-piperidinyl)pentyl]oxy]pyrimidine 	C21H28FN3O	357.22164	NA	MeJP	NA	NA
+MJ044535	Amicibone 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044536	Crocacin A; N10-De(aminoalkyl) 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044537	Daphnilactone B; 2-Hydroxy 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044538	Daphnilactone B; N-Oxide 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044539	Dehydronapelline 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044540	Epostane 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044541	Kirinine B 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044542	Oxybutynin 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044543	Retrofractamides; Retrofractamide B, 10,11-Dihydro 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044544	Septatisine 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044545	Songorine 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044546	Spiradine G 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044547	Spiramine C 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044548	Spiramine Z2 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+MJ044549	Spirasine VII; 9-Deoxy 	C22H31NO3	357.230393	NA	MeJP	NA	NA
+C07360	Oxybutynin	C22H31NO3	357.2304	NA	KEGG	NA	NA
+C08707	Songorine	C22H31NO3	357.2304	NA	KEGG	NA	NA
+3356	Stimulating vasoactive substance release	LLL	357.252	celiac toxic	Inhouse_peptide	NA	peptide
+C11328	Leucyl-leucyl-norleucine	C18H35N3O4	357.2628	NA	KEGG	NA	NA
+PJ000503	LLL 	C18H35N3O4	357.2628	NA	PeJP	NA	NA
+MJ044550	20-Aminopregna-1,4-dien-3-one, N,N-Di-Me, 18-hydroxy 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044551	Daphnilactone A 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044552	Paravallarine; 20-Epimer, N-Me 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044553	Paravallarine; 3-Epimer, N-Me 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044554	Paravallarine; N-Me 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044555	Tonazocine 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044556	Zenazocine 	C23H35NO2	357.266779	NA	MeJP	NA	NA
+MJ044557	Antibiotic BE 18591 	C22H35N3O	357.278012	NA	MeJP	NA	NA
+C11307	Cetylpyridinium chloride	C21H38N	357.2798	NA	KEGG	NA	NA
+MJ044558	Leptophyllin A; O3-Ac 	C20H39NO4	357.287908	NA	MeJP	NA	NA
+MJ044559	Buxandonine L 	C24H39NO	357.303164	NA	MeJP	NA	NA
+3629	NA	YPFGFS~	357.66	MH2+	Inhouse_peptide	NA	peptide
+3468	analogue of fibronectin	GRGDSPK	357.67395	MH2+	Inhouse_peptide	NA	peptide
+3808	peptide from soybean b-conglycinin (Glycine max)	VIPAGYP	357.6885	MH2+	Inhouse_peptide	NA	peptide
+3961	f(165-170) of ovine alpha s2-casein	LKKISQ	357.723	MH2+	Inhouse_peptide	NA	peptide
+8179	peptide derived from ovine aS2-casein (165û170)	LKKISQ	357.723	MH2+	Inhouse_peptide	NA	peptide
+MJ044560	2,3,5-Tribromo-4-hydroxybenzyl alcohol 	C7H5Br3O2	357.783967	NA	MeJP	NA	NA
+C14201	2,2',4,4',5,5'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C14202	2,2',4,4',6,6'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C14367	2,2',3,3',5,5'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C14369	2,2',3,3',6,6'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C18115	3,4,5,3',4',5'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C18120	2,3,3',4,4',5-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C18121	2,3,3',4,4',5'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+C18122	2,3',4,4',5,5'-Hexachlorobiphenyl	C12H4Cl6	357.8444	NA	KEGG	NA	NA
+MJ044561	Aplysinadiene 	C12H8Br2O3	357.884019	NA	MeJP	NA	NA
+MJ044562	2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide 	C11H8Br2N2O2	357.895252	NA	MeJP	NA	NA
+MJ044563	Triclabendazole 	C14H9Cl3N2OS	357.950116	NA	MeJP	NA	NA
+C03444	p-Chloromercuribenzoate	C7H5ClHgO2	357.9684	NA	KEGG	NA	NA
+C03446	tRNA containing ribothymidine at position 54	C10H15N2O9P	357.9684	NA	KEGG	NA	NA
+MetaCyc03171	p-chloromercuribenzoate [4-chloromercuribenzoic acid;(4-carboxyphenyl)-chloro-mercury;p-CMB;]	C7H5O2CL1HG1	357.968433	NA	metacyc	NA	NA
+MJ044564	Clofenvinfos 	C12H14Cl3O4P	357.969528	NA	MeJP	NA	NA
+MJ044565	Nitroclofene 	C13H8Cl2N2O6	357.975941	NA	MeJP	NA	NA
+MJ044566	Gliotoxin E 	C13H14N2O4S3	358.011569	NA	MeJP	NA	NA
+MJ044567	Mifobate 	C11H17ClO7P2	358.013803	NA	MeJP	NA	NA
+C13678	4-(N-Maleimido)phenyltrimethylammonium iodide	C13H15N2O2	358.0178	NA	KEGG	NA	NA
+MJ044568	Austocystin A; 4-O-De-Me 	C18H11ClO6	358.024415	NA	MeJP	NA	NA
+MJ044569	Sterigmatocystin; 9-Chloro 	C18H11ClO6	358.024415	NA	MeJP	NA	NA
+MJ044570	Slagenine A; 11,15-Diepimer, 11-Me ether 	C12H15BrN4O4	358.027667	NA	MeJP	NA	NA
+MJ044571	Slagenine A; 11-Me ether 	C12H15BrN4O4	358.027667	NA	MeJP	NA	NA
+FL5FPTNS0003	Distemonanthin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-5,7-dione	C17H10O9	358.03248	549-20-2	knapsack	NA	NA
+MJ044572	Distemonanthin 	C17H10O9	358.032481	NA	MeJP	NA	NA
+MJ044573	Flavellagic acid; 7,8-Methylene, 2,3-di-Me ether 	C17H10O9	358.032481	NA	MeJP	NA	NA
+MJ044574	Substictic acid; O-De-Me 	C17H10O9	358.032481	NA	MeJP	NA	NA
+MJ044575	Galactaric acid; 1,4-Lactone, 2-O-(3,4,5-trihydroxybenzoyl), Me ester 	C14H14O11	358.053611	NA	MeJP	NA	NA
+MJ044576	Galactaric acid; 1,4-Lactone, 5-O-(3,4,5-trihydroxybenzoyl), Me ester 	C14H14O11	358.053611	NA	MeJP	NA	NA
+MJ044577	Etoricoxib 	C18H15ClN2O2S	358.054276	NA	MeJP	NA	NA
+C11718	L791456	C18H15ClN2O2S	358.0543	NA	KEGG	NA	NA
+MJ044578	1-[[[4-(Aminocarbonyl)pyridinio]methoxy]methyl]-2-[(hydroxyimino)methyl]pyridinium(2+); Dichloride 	C14H16Cl2N4O3	358.059945	NA	MeJP	NA	NA
+MJ044579	Obidoxime(2+); Dichloride 	C14H16Cl2N4O3	358.059945	NA	MeJP	NA	NA
+MJ044580	Octosyl acid B; 5-Carboxylic acid 	C13H14N2O10	358.064844	NA	MeJP	NA	NA
+MJ044581	?-[(Butylthio)methyl]-?-(2,4-dichlorophenyl)-1H-imidazole-1-ethanol 	C16H20Cl2N2OS	358.067339	NA	MeJP	NA	NA
+FL3FACNS0002	Luteolin 7-lactate	C18H14O8	358.06886	126394-95-4	knapsack	NA	NA
+FL3FGCNS0013	Linderoflavone A	C18H14O8	358.06886	-	knapsack	NA	NA
+FL3FQUNS0001	5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone	C18H14O8	358.06886	-	knapsack	NA	NA
+FL5FECNS0040	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone	C18H14O8	358.06886	93078-84-3	knapsack	NA	NA
+FL5FECNS0041	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone	C18H14O8	358.06886	138935-85-0	knapsack	NA	NA
+FL5FF8NS0008	3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate	C18H14O8	358.06886	112161-56-5	knapsack	NA	NA
+FL5FFANS0019	Pollenitin 8-acetate	C18H14O8	358.06886	69306-84-9	knapsack	NA	NA
+FL5FFCNS0036	2-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one;3,8-dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone	C18H14O8	358.06886	132537-17-8	knapsack	NA	NA
+FLIAEGNS0004	5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone	C18H14O8	358.06886	88509-91-5	knapsack	NA	NA
+FLIAELNS0002	Dalpalatin	C18H14O8	358.06886	126595-77-5	knapsack	NA	NA
+MJ044582	1,2,3,4,5,8-Hexahydroxy-6-methylanthraquinone; 1,2-Methylene,3,4-di-Me ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044583	1,3,6,7-Tetrahydroxyxanthone; 7-Me ether, 3,6-di-Ac 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044584	1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 6,8-Di-Me ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044585	1,4-Dihydroxy-6,7-dimethoxy-3-methylanthraquinone-2-carboxylic acid 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044586	2',3,5,7,8-Pentahydroxyflavone; 7-Me ether, 8-Ac 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044587	2',4',5,5',6,7-Hexahydroxyisoflavone; 2',6-Di-Me, 4',5'-methylene ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044588	3',4',5,6,7,8-Hexahydroxyflavone; 6,8-Di-Me, 3',4'-methylene ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044589	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044590	3,3',4',5',7,8-Hexahydroxyflavone; 3',4'-Methylene, 5',8-di-Me ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044591	3,3',4',5,6,7-Hexahydroxyflavone; 3',4'-Methylene, 5,6-di-Me ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044592	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene 3,3'-di-Me ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044593	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 8-Ac 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044594	4-(2-Carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044595	7-Carboxy-3,3',4',5-tetrahydroxyflavone; 4'-Me ether, Me ester 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044596	Asparasone A 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044597	Bryebinalquinone 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044598	Dehydrodicaffeic acid dilactone 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044599	Ellagic acid; Tetra-Me ether 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044600	Hyposalazinic acid 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044601	Phellinsin A 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044602	Psoromic acid 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044603	Usararotenoid A; 12R-Alcohol 	C18H14O8	358.068867	NA	MeJP	NA	NA
+MJ044604	Virensic acid 	C18H14O8	358.068867	NA	MeJP	NA	NA
+C10969	SC-1271	C18H15ClN2O4	358.072	NA	KEGG	NA	NA
+C12478	Coumeroic acid	C17H14N2O7	358.0801	NA	KEGG	NA	NA
+MJ044605	Obafluorin 	C17H14N2O7	358.0801	NA	MeJP	NA	NA
+MJ044606	Deacetoxycephalosporin C; 5'-Deamino, 5'-hydroxy 	C14H18N2O7S	358.083471	NA	MeJP	NA	NA
+MJ044607	Miraxanthin I 	C14H18N2O7S	358.083471	NA	MeJP	NA	NA
+C08554	Miraxanthin-I	C14H18N2O7S	358.0835	NA	KEGG	NA	NA
+FL3FA9NS0004	5,7-Dihydroxyflavone 7-benzoate	C22H14O5	358.08412	106009-51-2	knapsack	NA	NA
+MJ044608	5,7-Dihydroxyflavone; 7-O-Benzoyl 	C22H14O5	358.084123	NA	MeJP	NA	NA
+MJ044609	Sargassumketone 	C15H18O10	358.089996	NA	MeJP	NA	NA
+HMDB03882	N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	C14H19N2O7P	358.092987	NA	HMDB2010	NA	NA
+MJ044610	N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole 	C14H19N2O7P	358.092987	NA	MeJP	NA	NA
+MetaCyc03172	&alpha;-ribazole-5'-P [N1-(5'-phospho-&alpha;-D-ribosyl)-5,6-dimethylbenzimidazole;DMB-ribose-5'-P;]	C14H19N2O7P1	358.092987	NA	metacyc	NA	NA
+C04778	N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole	C14H19N2O7P	358.093	NA	KEGG	NA	NA
+C04779	rRNA containing a single residue of 2'-O-methyladenosine	C11H16N5O7P	358.093	NA	KEGG	NA	NA
+HMDB01416	Pantetheine 4'-phosphate	C11H23N2O7PS	358.096344	NA	HMDB2010	NA	NA
+MJ044611	Pantetheine 4'-phosphate 	C11H23N2O7PS	358.096358	NA	MeJP	NA	NA
+MetaCyc03173	pantetheine 4'-phosphate [phosphopantotheine;pantotheine-4'-phosphate;4'-phosphopantetheine;phosphopantetheine;]	C11H23N2O7P1S1	358.096358	NA	metacyc	NA	NA
+MetaCyc03174	4'-phosphopanthetheine [phosphopanthetheine;4'-P-Panthetheine;]	C11H23N2O7P1S1	358.096358	NA	metacyc	NA	NA
+HMDB01416	Pantetheine 4'-phosphate	C11H23N2O7PS	358.09637	http://www.hmdb.ca/metabolites/HMDB01416	HMDB	NA	NA
+HMDB01416	Pantetheine 4'-phosphate	C11H23N2O7PS	358.09637	HMDB01416	PFEM_hmdb_metabocards_official	NA	NA
+C01134	Pantetheine 4'-phosphate	C11H23N2O7PS	358.0964	NA	KEGG	NA	NA
+C01135	Phospho-beta-D-glucoside	C11H23N2O7PS	358.0964	NA	KEGG	NA	NA
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR371	Vitamine B12 F5	NA	358.100175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR371	Vitamine B12 F5	NA	358.100175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR371	Vitamine B12 F5	NA	358.100175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR371	Vitamine B12 F5	NA	358.100175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR371	Vitamin B12 F5	F5	358.100175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+FL1CHYNS0009	Ponganone X;3,4-Methylenedioxy-2',4',6'-trimethoxy-beta-hydroxychalcone	C19H18O7	358.10525	142608-96-6	knapsack	NA	NA
+FL2FQUNM0002	Scaberin	C19H18O7	358.10525	41093-66-7	knapsack	NA	NA
+FL3F2GNS0002	Prosogerin D	C19H18O7	358.10525	75656-30-3	knapsack	NA	NA
+FL3F3GNS0002	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone	C19H18O7	358.10525	133342-98-0	knapsack	NA	NA
+FL3FAKNM0001	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone	C19H18O7	358.10525	-	knapsack	NA	NA
+FL3FALNS0009	Isoetin 7,2',4',5'-tetramethyl ether;5-Hdroxy-7,2',4',5'-tetramethoxyflavone;5-Hydroxy-7-methoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C19H18O7	358.10525	159119-07-0	knapsack	NA	NA
+FL3FCKNS0001	Corymbosin;5-Hydroxy-3',4',5',7-tetramethoxyflavone;5-Hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C19H18O7	358.10525	18103-41-8	knapsack	NA	NA
+FL3FECNS0015	6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether	C19H18O7	358.10525	21764-09-0	knapsack	NA	NA
+FL3FECNS0016	6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether	C19H18O7	358.10525	40983-99-1	knapsack	NA	NA
+FL3FECNS0017	6-Hydroxyluteolin 6,7,3',4'-tetramethyl ether;5-Hydroxy-6,7,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	21763-80-4	knapsack	NA	NA
+FL3FECNS0021	Ageconyflavone B;5,6,7,3'-Tetramethoxy-4'-hydroxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	51145-80-3	knapsack	NA	NA
+FL3FF8NS0012	Altisin	C19H18O7	358.10525	57765-78-3	knapsack	NA	NA
+FL3FF8NS0016	5-Hydroxy-2',3',7,8-tetramethoxyflavone;2-(2,3-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	4767-67-3	knapsack	NA	NA
+FL3FF8NS0017	5-hydroxy-7,8,2',5'tetramethoxyflavone;2-(2,5-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	497918-31-7	knapsack	NA	NA
+FL3FFCNS0006	Hypolaetin 7,8,3',4'-tetramethyl ether;5-Hydroxy-7,8,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	13003-74-2	knapsack	NA	NA
+FL3FFLNS0001	2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone	C19H18O7	358.10525	123316-61-0	knapsack	NA	NA
+FL3FGANS0009	7-Hydroxy-5,6,8,4'-tetramethoxyflavone	C19H18O7	358.10525	73213-66-8	knapsack	NA	NA
+FL3FGANS0010	Gardenin B;Demethyltangeretin;5-Hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O7	358.10525	2798-20-1	knapsack	NA	NA
+FL3FGANS0014	4'-Hydroxy-5,6,7,8-tetramethoxyflavone;2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	36950-98-8	knapsack	NA	NA
+FL4DA9NS0012	5,7,3'-Trihydroxy-3-O-isobutyrylflavanone	C19H18O7	358.10525	160012-84-0	knapsack	NA	NA
+FL5F1GNS0006	4'-Hydroxy-3,7,3',5'-tetramethoxyflavone;2-(4-Hydroxy-3,5-dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	223902-80-5	knapsack	NA	NA
+FL5F2CNS0002	Santoflavone	C19H18O7	358.10525	163318-81-8	knapsack	NA	NA
+FL5FDCNM0005	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C19H18O7	358.10525	181884-09-3	knapsack	NA	NA
+FL5FDDNM0002	6-C-Methylquercetin 3,7,3'-trimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one	C19H18O7	358.10525	99339-48-7	knapsack	NA	NA
+FL5FDDNM0003	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone	C19H18O7	358.10525	-	knapsack	NA	NA
+FL5FDDNM0004	5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone	C19H18O7	358.10525	99339-47-6	knapsack	NA	NA
+FL5FDDNS0004	Quercetin 3,5,7,3'-tetramethyl ether;3,5,7,3'-Tetramethoxy-4'-hydroxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	33554-60-8	knapsack	NA	NA
+FL5FDENS0003	Quercetin 3,5,7,4'-tetramethyl ether	C19H18O7	358.10525	1832-98-0	knapsack	NA	NA
+FL5FDFNS0002	Quercetin 3,5,3',4'-tetramethyl ether	C19H18O7	358.10525	33554-59-5	knapsack	NA	NA
+FL5FDFNS0003	Retusin(Ariocarpus);Quercetin 3,7,3',4'-tetramethyl ether;Retusine;5-Hydroxy-3,7,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O7	358.10525	1245-15-4	knapsack	NA	NA
+FL5FDFNS0004	Quercetin 5,7,3',4'-tetramethyl ether	C19H18O7	358.10525	1244-78-6	knapsack	NA	NA
+FL5FEANM0001	8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one	C19H18O7	358.10525	151649-38-6	knapsack	NA	NA
+FL5FEANS0018	5-Hydroxy-3,6,7,4'-tetramethoxyflavone;6-Hydroxykaempferol-3,6,7,4'-tetramethyl ether;Penduletin 4'-methyl ether;5-Hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O7	358.10525	14787-34-9	knapsack	NA	NA
+FL5FF8NS0003	5-Hydroxy-3,7,8,2'-tetramethoxyflavone	C19H18O7	358.10525	86828-02-6	knapsack	NA	NA
+FL5FFANM0002	5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one	C19H18O7	358.10525	194157-52-3	knapsack	NA	NA
+FL5FFANS0015	Flindulatin;5-Hydroxy-3,4',7,8-tetramethoxyflavone;3,7,8,4'-Tetramethylherbacetin;5-Hydroxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O7	358.10525	521-44-8	knapsack	NA	NA
+FL5FG9NS0005	5-Hydroxy-3,6,7,8-tetramethoxyflavone;5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-1-benzopyran-4-one	C19H18O7	358.10525	15249-62-4	knapsack	NA	NA
+FLIA2LNS0004	7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone	C19H18O7	358.10525	22773-72-4	knapsack	NA	NA
+FLIAALNS0006	Robustigenin;5-Hydroxy-7,2',4',5'-tetramethoxyisoflavone	C19H18O7	358.10525	72545-39-2	knapsack	NA	NA
+FLIAECNS0011	Belamcandin;5-Hydroxy-6,7,3',4'-tetramethoxyisoflavone	C19H18O7	358.10525	78134-88-0	knapsack	NA	NA
+FLIFALNS0001	Sermundone	C19H18O7	358.10525	41743-42-4	knapsack	NA	NA
+FLIFHXNS0001	12a-Hydroxymunduserone	C19H18O7	358.10525	66280-24-8	knapsack	NA	NA
+FLNAFCNS0003	8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin	C19H18O7	358.10525	126633-46-3	knapsack	NA	NA
+FLNAFCNS0004	3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin	C19H18O7	358.10525	131889-71-9	knapsack	NA	NA
+MJ044612	1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; 2,3,5,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044613	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044614	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044615	1,3,8-Trihydroxy-6-methylxanthone; 3-O-(4-Hydroxy-3-hydroxymethyl-2-butenyl) 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044616	2',3',5,6,7-Pentahydroxyisoflavone; 2',5,6,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044617	2',3,5,7,8-Pentahydroxyflavone; 2',3,7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044618	2',4',5',6,7-Pentahydroxyisoflavone; 2',4',5',6-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044619	2',4',5',6,7-Pentahydroxyisoflavone; 2',4',5',7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044620	2',4',5,5',7-Pentahydroxyflavone; 2',4',5',7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044621	2',4',5,5',7-Pentahydroxyflavone; 2',5,5',7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044622	2',4',5,5',7-Pentahydroxyisoflavone; 2',4',5',7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044623	2',4',5,7,8-Pentahydroxyflavone; 2',4',7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044624	2',5,6',7,8-Pentahydroxyflavone; 2',6',7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044625	2,2,4,6,9-Pentahydroxy-7-methyl-1H-phenalene-1,3(2H)-dione; 6-O-(3-Methyl-2-butenyl) 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044626	2,3',4',5,7-Pentahydroxyflavanone; 2',4',6'-Tri-Me, 3,4-methylene ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044627	2,3,4,8,9-Pentahydroxypterocarpan, 2,3,4-Tri-Me, 8,9-methylene ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044628	3',4',5',6,7-Pentahydroxyflavone; 3',4',5',6-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044629	3',4',5',7,8-Pentahydroxyflavone; 4',5',7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044630	3',4',5,5',7-Pentahydroxy-6-methylisoflavone; 3',5,5'-Tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044631	3',4',5,5',7-Pentahydroxyflavone; 3',4',5',7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044632	3',4',5,6,7-Pentahydroxy-8-methylflavone; 3',6,7-Tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044633	3',4',5,6,7-Pentahydroxyflavanone, 3',4'-Methylene, 5,6,7-tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044634	3',4',5,6,7-Pentahydroxyflavone; 3',4',5,6-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044635	3',4',5,6,7-Pentahydroxyflavone; 3',4',6,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044636	3',4',5,6,7-Pentahydroxyflavone; 3',5,6,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044637	3',4',5,6,7-Pentahydroxyflavone; 4',5,6,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044638	3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044639	3',4',5,7,8-Pentahydroxyflavone; 3',4',7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044640	3',4'-Deoxypsorospermin, 3',4'-Dihydro, 3',4'-dihydroxy 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044641	3,3',4',5',7-Pentahydroxyflavone; 3,3',5',7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044642	3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3,3'-Di-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044643	3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3,7-Di-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044644	3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,3',7-Tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044645	3,3',4',6,7-Pentahydroxyflavone; 3,3',4',6-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044646	3,3',5,7-Tetrahydroxyflavanone, 3-O-(2-Methylpropanoyl) 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044647	3,4',5,6,7-Pentahydroxy-8-methylflavone; 3,6,7-Tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044648	3,4',5,6,7-Pentahydroxyflavone; 3,4',5,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044649	3,4',5,6,7-Pentahydroxyflavone; 3,4',6,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044650	3,4',5,7,8-Pentahydroxy-6-methylflavone; 3,4',8-Tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044651	3,4',5,7,8-Pentahydroxy-6-methylflavone; 3,7,8-Tri-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044652	3,4',5,7,8-Pentahydroxyflavone; 3,4',7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044653	3,5,6,7,8-Pentahydroxyflavone; 3,6,7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044654	3,5,7,9,11-Tridecapentayne-1,2-diol; 2-O-?-D-Glucopyranoside 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044655	4',5,6,7,8-Pentahydroxyflavone; 4',5,6,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044656	4',5,6,7,8-Pentahydroxyflavone; 4',6,7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044657	4',5,6,7,8-Pentahydroxyflavone; 5,6,7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044658	4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 3',4',5,7-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044659	4-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-2H-1-benzopyran-2-one; 4',5,7,8-Tetra-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044660	5,7,8-Trihydroxy-3-(4-hydroxybenzyl)-4-chromanone; 7-Me ether, 8-Ac 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044661	5,7-Dihydroxy-3-(3,4,5-trihydroxybenzyl)phthalide, 3',5,7-Tri-Me, 4',5'-methylene ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044662	5,7-Dihydroxy-6,8-dimethyl-3-(2,3,4-trihydroxybenzyl)chromone; 2,3-Dihydro, 3',4'-methylene ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044663	Aflatoxin B1, 15,16-Dihydro, 16-ethoxy 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044664	Benfurodil hemisuccinate 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044665	Cillianone 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044666	Clauslactone B; 7'-Deoxy, 7',9'-didehydro 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044667	Elmycin C 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044668	Excavatin D, 9'-Hydroxy, 2'?,3'?-epoxide 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044669	Funicone; 3-Deoxy 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044670	Garcinisidone F 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044671	Gerontoxanthone D 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044672	Gliricidol; 2-Methoxy, 9-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044673	Hypoprotocetraric acid; 3-Me ether 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044674	Munduserone, 11-Hydroxy 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044675	Norherqueinone 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044676	Pannaric acid; Di-Me ether, 2-Me ester 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044677	Psorospermindiol 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044678	Sakyomicin B, 2-Deoxy, 5,6-dihydro 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044679	Scaberin 	C19H18O7	358.105252	NA	MeJP	NA	NA
+MJ044680	Spectomycin A2 	C19H18O7	358.105252	NA	MeJP	NA	NA
+C15109	Gardenin B	C19H18O7	358.1053	NA	KEGG	NA	NA
+C17669	Chryso-obtusin	C19H18O7	358.1053	NA	KEGG	NA	NA
+MetaCyc03175	deacetoxycephalosporin C []	C14H20N3O6S1	358.107281	NA	metacyc	NA	NA
+MJ044681	Viroxime 	C17H18N4O3S	358.109961	NA	MeJP	NA	NA
+MJ044682	Maltobionic acid 	C12H22O12	358.111126	NA	MeJP	NA	NA
+MJ044683	Melibionic acid 	C12H22O12	358.111126	NA	MeJP	NA	NA
+MetaCyc03176	melibionate [melibionic acid;6-O-&alpha;-D-galactopyranosyl-D-gluconic acid;]	C12H22O12	358.111126	NA	metacyc	NA	NA
+CJpos0769	Hippuric acid [(2M+H)]+	C18H19N2O6	358.115975	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0769	Hippuric acid [(2M+H)]+	C18H19N2O6	358.115975	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0556	Hippuric acid [(2M-H)]-	C18H17N2O6	358.117025	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0556	Hippuric acid [(2M-H)]-	C18H17N2O6	358.117025	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ044684	3,5-Dihydroxy-4(15),10(14)-guaiadien-12,8-olide, 10,14-Dihydro, 10?-hydroxy, 14-chloro, 3-Ac 	C17H23ClO6	358.118316	NA	MeJP	NA	NA
+MJ044685	1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3'-Me ether, 3-O-?-D-glucopyranoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044686	2',4',6'-Trihydroxy-3'-methylacetophenone; 6'-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044687	2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3',4'-Methylene ether, 1-O-?-D-glucopyranoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044688	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2-O-?-Glucopyranoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044689	3',4',5'-Trihydroxyacetophenone; 3',5'-Di-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044690	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-?-D-glucopyranoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044691	6,7-Epoxy-4,5,9-trihydroxy-8-oxo-2-dodecenoic acid; 4,9-Di-Ac 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044692	Brasoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044693	Glucitol, 1-O-(4-Hydroxy-3-methoxycinnamoyl) 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044694	Iridolinaroside A 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044695	Isosweroside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044696	Junipetrioloside A 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044697	Nepetanudoside C; 11-Carboxylic acid 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044698	Sweroside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044699	Synargentolide D 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044700	Tarennoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+MJ044701	Ugandoside 	C16H22O9	358.126382	NA	MeJP	NA	NA
+C11654	Tarennoside	C16H22O9	358.1264	NA	KEGG	NA	NA
+C11672	10-Deoxygeniposidic acid	C16H22O9	358.1264	NA	KEGG	NA	NA
+C17071	Sweroside	C16H22O9	358.1264	NA	KEGG	NA	NA
+C13762	202-791	C17H18N4O5	358.1277	NA	KEGG	NA	NA
+MJ044702	4-(4-Benzofurazanyl)-1,4-dihydro-2,6-dimethyl-5-nitro-3-pyridinecarboxylic acid, Isopropyl ester 	C17H18N4O5	358.127719	NA	MeJP	NA	NA
+MJ044703	Alstoniline 	C22H18N2O3	358.131742	NA	MeJP	NA	NA
+MJ044704	Dimethoxanate 	C19H22N2O3S	358.135113	NA	MeJP	NA	NA
+3474	ACE inhibitor	GDAP	358.1369	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB01069	2-Phenylaminoadenosine	C16H18N6O4	358.138947	NA	HMDB2010	NA	NA
+HMDB01069	2-Phenylaminoadenosine	C16H18N6O4	358.13895	http://www.hmdb.ca/metabolites/HMDB01069	HMDB	NA	NA
+HMDB01069	2-Phenylaminoadenosine	C16H18N6O4	358.13895	HMDB01069	PFEM_hmdb_metabocards_official	NA	NA
+C05366	(+)-Pinoresinol	C20H22O6	358.1416	NA	KEGG	NA	NA
+C05367	2-Naphthylamide sulfate	C20H22O6	358.1416	NA	KEGG	NA	NA
+C05369	Octylamide sulfate	C20H22O6	358.1416	NA	KEGG	NA	NA
+C08831	Miroestrol	C20H22O6	358.1416	NA	KEGG	NA	NA
+C09077	Columbin	C20H22O6	358.1416	NA	KEGG	NA	NA
+C09515	Multiradiatin	C20H22O6	358.1416	NA	KEGG	NA	NA
+C09516	Multistatin	C20H22O6	358.1416	NA	KEGG	NA	NA
+C10317	Coleone A	C20H22O6	358.1416	NA	KEGG	NA	NA
+C10558	Dihydrocubebin	C20H22O6	358.1416	NA	KEGG	NA	NA
+C10682	Matairesinol	C20H22O6	358.1416	NA	KEGG	NA	NA
+C17414	Isobutylshikonin	C20H22O6	358.1416	NA	KEGG	NA	NA
+C17508	Isocolumbin	C20H22O6	358.1416	NA	KEGG	NA	NA
+C17509	Thymine dimer	C20H28N4O15P2	358.1416	NA	KEGG	NA	NA
+C17510	Two thymine residues (in DNA)	C20H28N4O15P2	358.1416	NA	KEGG	NA	NA
+C17808	Clemaphenol A	C20H22O6	358.1416	NA	KEGG	NA	NA
+FL1CG9NS0005	Pedicellin	C20H22O6	358.14163	518-58-1	knapsack	NA	NA
+FL2F1ANI0009	Brosimacutin A	C20H22O6	358.14163	350221-43-1	knapsack	NA	NA
+FL2F1ANI0010	Brosimacutin B	C20H22O6	358.14163	478493-78-6	knapsack	NA	NA
+FL2FALNM0001	2',4',5,7-Tetramethoxy-8-methylflavanone	C20H22O6	358.14163	325744-38-5	knapsack	NA	NA
+FL63ACNI0001	6-Prenylcatechin	C20H22O6	358.14163	115532-13-3	knapsack	NA	NA
+FL63ACNI0002	8-Prenylcatechin	C20H22O6	358.14163	115532-12-2	knapsack	NA	NA
+FLIB1LNI0002	5-Deoxykievitone hydrate;7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone	C20H22O6	358.14163	94388-79-1	knapsack	NA	NA
+MJ044705	1,2:15,16-Diepoxy-13(16),14-clerodadiene-17,12:18,19-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044706	1,2:3,4-Diepoxy-8-hydroxy-9,11(13)-guaiadien-12,6-olide, Tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044707	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Furancarbonyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044708	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 2-Ketone, 8-tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044709	15,16-Epoxy-1-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044710	15,16-Epoxy-10-hydroxy-2,7,13(16),14-clerodatetraene-17,12:18,19-diolide, 7,8?-Dihydro 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044711	15,16-Epoxy-10-hydroxy-3,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044712	15,16-Epoxy-19-hydroxy-3,13(16),14-clerodatriene-19,6:20,12-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044713	15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 2?-Hydroxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044714	15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 1?-Hydroxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044715	15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 7?-Hydroxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044716	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044717	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,6-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044718	15,16-Epoxy-5,10-seco-1,3,5(19),13(16),14-clerodapentaene-17,18-dioic acid; ent-form 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044719	15,16-Epoxy-6-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2,3-Didehydro 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044720	15,16-Epoxy-6-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044721	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044722	15,16-Epoxy-8-hydroxy-3,13(16),14-clerodatriene-18,6:20,12-diolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044723	19(4?3)-Abeo-1,11-epidioxy-11-hydroxy-14-oxo-8,12-abietadien-19,18-olide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044724	2',3',4',5',6'-Pentahydroxychalcone; Penta-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044725	2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 5-Deoxy, 2'',3''-dihydro, 3''-hydroxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044726	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 2-Ketone, 8-O-(2,3-epoxy-2-methylbutanoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044727	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',4'-Methylene, 5-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044728	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',4'-Methylene, 5-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044729	3',4,4',5,7',8'-Hexahydroxy-2,7'-cyclolignan; 3',4'-Methylene, 5-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044730	3',4,4',5,9-Pentahydroxy-9,9'-epoxy-2,7'-cyclolignan, 3',5-Di-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044731	3'-O-Demethyldenudanolide B; 3'-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044732	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044733	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044734	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044735	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044736	3,14-Epoxy-8,14-dihydroxy-1,4(15),11(13)-elematrien-12,6-olide, 14-Ketone, 8-angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044737	3,3',4',5,7-Pentahydroxy-6-prenylflavan 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044738	3,3',4',5,7-Pentahydroxy-8-prenylflavan 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044739	3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044740	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3',4'-Methylene, 3-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044741	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3'-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044742	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3,4-Methylene, 3'-Me ether, 9-alcohol 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044743	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 4,4'-Di-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044744	3,3'-Bi(3,4-dihydro-2H-1-benzopyran-4,6-diol); 4,4'-Di-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044745	3,3'-Bi(3,4-dihydro-2H-1-benzopyran-4,6-diol); 6,6'-Di-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044746	3,4-Dihydroxy-3',4'-dimethoxy-7,9':7',9-diepoxylignan 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044747	3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 8-tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044748	3,8-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044749	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3',5'-Di-Me ether, O-(4-hydroxycinnamoyl)(E-) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044750	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3',5'-Di-Me ether, O-(4-hydroxycinnamoyl)(Z-) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044751	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044752	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 3-(4-Hydroxy-3-methoxyphenyl)-1-methylpropyl ester 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044753	4'-(2,3-Epoxy-1-hydroxypropyl)-2-hydroxy-5-(3-hydroxy-1-propenyl)-2',3-dimethoxybiphenyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044754	4,6:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-Deoxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044755	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044756	5,10-Epoxy-8-hydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,6-olide, Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044757	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(2-Methylpropanoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044758	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 9-Ketone, 6-O-(3-methyl-2-butenoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044759	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 9-Ketone, 6-angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044760	7,20:12,20:15,16-Triepoxy-1,13(16),14-clerodatrien-18,19-olide, 1?,2?-Epoxide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044761	7,20:12,20:15,16-Triepoxy-1,13(16),14-clerodatrien-18,19-olide, 4-Epimer, 1?,2?-epoxide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044762	8,14-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044763	8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044764	8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044765	8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044766	8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, O-(3-Methyl-2-butenoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044767	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-(2,5-Dihydro-5-hydroxy-3-furancarbonyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044768	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 3-Methyl-2-butenoyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044769	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044770	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6;14,9-diolide, 8-Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044771	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, O-(2,3-Epoxy-2-methylbutanoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044772	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(4,5-Dihydro-2-oxo-3H-furan-4-carbonyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044773	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2,5-Dihydro-5-hydroxy-3-furancarbonyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044774	9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, Tigloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044775	Antibiotic 55B 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044776	Antibiotic X 14881B; 4?-Hydroxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044777	Arnottinin; ?3',5'-Isomer, 1'R*,2'R*-epoxide, 7-Me ether, 4'-O-(3-methylbutanoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044778	Baenzigeride A 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044779	Bartemidiolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044780	Cneorumchromone Q 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044781	Coleon A 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044782	Decursidinol, 3'-Angeloyl, 4'-O-Me 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044783	Excavatin D, 8-Methoxy, 6',7'-dihydro 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044784	Ferrearin B; 2-Epimer, 3'-methoxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044785	Ferrearin B; 3'-Methoxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044786	Guayarol 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044787	Hamaudol, 3-(3-Methyl-2-butenoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044788	Hamaudol, 3-Angeloyl 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044789	Isochiliolide lactone; 7?,8?-Epoxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044790	Isochiliolide lactone; 8,17-Didehydro, 7?-hydroxy 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044791	Isomiroestrol 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044792	Jamesoniellide E 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044793	Jamesoniellide I 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044794	Licoriphenone; 4-O-De-Me 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044795	Margicassidin 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044796	Marshalliachromone; 5'-O-(2-Methylbutanoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044797	Marshalliachromone; 5'-O-(3-Methylbutanoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044798	Matairesinol 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044799	Miroestrol 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044800	Monankarin A 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044801	Monankarin F 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044802	Murrangatin, 3',4'-Dihydro, 1'-ketone, 2'-O-(3-methyl-2-butenoyl) 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044803	Myrocin B 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044804	Pinoresinol 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044805	Plectrinone A 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044806	Pygmaeocin A 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044807	Salvipalolide 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044808	Securigran I 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044809	Securigran V 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044810	Teuvincenone A 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044811	Triptolide; 14-Ketone 	C20H22O6	358.141638	NA	MeJP	NA	NA
+MJ044812	6-Gingesulfonic acid 	C17H26O6S	358.145009	NA	MeJP	NA	NA
+PJ000504	PNE 	C14H22N4O7	358.1489	NA	PeJP	NA	NA
+8042	synthetic peptide	PWG	358.152	antioxidative	Inhouse_peptide	NA	peptide
+MJ044813	Gelsemoxonine 	C19H22N2O5	358.152871	NA	MeJP	NA	NA
+C01675	Cilastatin	C16H26N2O5S	358.1562	NA	KEGG	NA	NA
+MJ044814	Cilastatin 	C16H26N2O5S	358.156242	NA	MeJP	NA	NA
+PJ000505	GPW 	C18H22N4O4	358.1641	NA	PeJP	NA	NA
+MJ044815	3-[[4-[[4-(Aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoic acid, Et ester 	C18H22N4O4	358.164105	NA	MeJP	NA	NA
+MJ044816	Tribendilol 	C18H22N4O4	358.164105	NA	MeJP	NA	NA
+MJ044817	Phyllocryptonine 	C20H24NO5	358.165447	NA	MeJP	NA	NA
+C07370	Prednisone	C21H26O5	358.178	NA	KEGG	NA	NA
+C11053	9,10-Dihydrokadsurenone	C21H26O5	358.178	NA	KEGG	NA	NA
+HMDB05798	Malabaricone C	C21H26O5	358.178009	NA	HMDB2010	NA	NA
+HMDB05798	Malabaricone C	C21H26O5	358.17801	http://www.hmdb.ca/metabolites/HMDB05798	HMDB	NA	NA
+HMDB05798	Malabaricone C	C21H26O5	358.17801	HMDB05798	PFEM_hmdb_metabocards_official	NA	NA
+MJ044818	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 1,4-Quinone, 2-Me ether, 8-angeloyl 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044819	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 15,16-Didehydro, 12-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044820	12,17-Epoxy-17-hydroxystrictic acid, Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044821	15,16-Epoxy-2,19-dioxo-3,13(16),14-clerodatrien-20-oic acid; ent-form, Me ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044822	15,16-Epoxy-20-hydroxy-12-oxo-8(17),13(16),14-labdatrien-19-oic acid; 20-Aldehyde, Me ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044823	15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044824	15,16-Epoxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, Me ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044825	15,16-Epoxy-5(10),13(16),14-halimatrien-20,12-olid-19-oic acid, Me ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044826	2,3,4-Trihydroxy-20-oxopregna-5,16-dien-19-oic acid, 19?2 Lactone 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044827	2,4-Dihydroxy-6-pentylbenzoic acid; 3-Hydroxy-5-propylphenyl ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044828	2,4-Dihydroxy-6-propylbenzoic acid; 3-Hydroxy-5-pentylphenyl ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044829	2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, 3-methoxy-5-propylphenyl ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044830	3,18-Cyclo-6,11,12,14-tetrahydroxy-5,8,11,13-abietatetraen-7-one; 12-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044831	3,3',4,4',7-Pentahydroxylignan, 3',4'-Methylene, 3,4-di-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044832	3,3',4,4',7-Pentahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044833	3,4,5',7-Tetrahydroxy-8,3'-oxyneolign-7'-ene, 3,4,5'-Tri-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044834	4-(3,4-Dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044835	4-Hydroxy-3,3',4-trimethoxy-7,7'-epoxylignan 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044836	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 7-O-(3,7-Dimethyl-2,6-octadienyl), 5,6-di-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044837	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(3-methyl-2-pentenoyl) 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044838	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Methoxy-3,7-dimethyl-2,5-octadienyl), 8-Me ether 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044839	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3'-Demethoxy 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044840	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3-Demethoxy 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044841	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3'-Demethoxy 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044842	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3-Demethoxy 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044843	Avicennic acid 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044844	Brialmontin 2 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044845	Carinatol 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044846	Cochleamycin B 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044847	Cyrtophyllone A 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044848	Deacetylshikonofuran A; 11-O-(2-Methylbutanoyl) 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044849	Deacetylshikonofuran A; 11-O-(3-Methylbutanoyl) 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044850	Eriostemoic acid; Me ester 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044851	Helinudichromene quinone 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044852	Kadsurenin I 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044853	Lancifolin A 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044854	Luteorosin 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044855	Macfarlandin A 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044856	Malabaricone A; 3',4'-Dihydroxy 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044857	Mammea B/AC 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044858	Mammea B/AD 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044859	Mammea B/BD 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044860	Monascin 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044861	Myricanol 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044862	Normammein 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044863	Perforaquassin C; 1-Ketone, 2,3-didehydro 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044864	Piperulin A; Stereoisomer, O-de-Ac 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044865	Pitholide C; 7'-Deoxy 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044866	Porosin 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044867	Prednisone 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044868	Strobilurin A; 3'-Hydroxy, 4'-(3-methyl-2-butenyloxy) 	C21H26O5	358.178023	NA	MeJP	NA	NA
+MJ044869	Virolin 	C21H26O5	358.178023	NA	MeJP	NA	NA
+3064	NA	VEPIPY	358.1805	MH2+	Inhouse_peptide	NA	peptide
+MJ044870	Antibiotic SF 2448; Antibiotic SF 2448A 	C15H26N4O6	358.185234	NA	MeJP	NA	NA
+PJ000506	PDK 	C15H26N4O6	358.1853	NA	PeJP	NA	NA
+MJ044871	Binospirone 	C20H26N2O4	358.189257	NA	MeJP	NA	NA
+MJ044872	Gelsedine; 11-Methoxy 	C20H26N2O4	358.189257	NA	MeJP	NA	NA
+MJ044873	Gelselegine 	C20H26N2O4	358.189257	NA	MeJP	NA	NA
+MJ044874	Humantenirine; 11-Demethoxy, 19,20-dihydro, 20R-hydroxy 	C20H26N2O4	358.189257	NA	MeJP	NA	NA
+MJ044875	Itopride 	C20H26N2O4	358.189257	NA	MeJP	NA	NA
+MJ044876	Ronactolol 	C20H26N2O4	358.189257	NA	MeJP	NA	NA
+C09203	Gelsemicine	C20H26N2O4	358.1893	NA	KEGG	NA	NA
+MJ044877	16-Chloro-15-hydroxy-3-nor-4-oxo-2,3-seco-2-dolabranoic acid 	C19H31ClO4	358.191087	NA	MeJP	NA	NA
+C14959	Estra-1,3,5(10),16-tetraen-3-ol benzoate	C25H26O2	358.1933	NA	KEGG	NA	NA
+PJ000507	SPR 	C14H26N6O5	358.1965	NA	PeJP	NA	NA
+MJ044878	2-Bornanol, O-(6-O-Acetyl-?-D-glucopyranoside) 	C18H30O7	358.199153	NA	MeJP	NA	NA
+MJ044879	3,7-Dimethyl-1,6-octadien-3-ol, O-(2-O-Acetyl-?-D-glucopyranoside) 	C18H30O7	358.199153	NA	MeJP	NA	NA
+MJ044880	Antibiotic SEN 366D1; 2,3-Dihydro 	C18H30O7	358.199153	NA	MeJP	NA	NA
+MJ044881	Belarizine 	C24H26N2O	358.204513	NA	MeJP	NA	NA
+MJ044882	Amisopirol 	C21H27FN2O2	358.205656	NA	MeJP	NA	NA
+MJ044883	Bengamide Z; 6-Deoxy, N-De-Me 	C17H30N2O6	358.210386	NA	MeJP	NA	NA
+C10784	Cannabidiolic acid	C22H30O4	358.2144	NA	KEGG	NA	NA
+C14974	3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol	C22H30O4	358.2144	NA	KEGG	NA	NA
+C15009	17beta-Hydroxyandrost-4-ene-3,11-dione propionate	C22H30O4	358.2144	NA	KEGG	NA	NA
+MJ044884	1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxybenzoyl) 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044885	12-Hydroxy-16-methoxypregna-4,6-diene-3,20-dione 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044886	13-Hydroxy-1(19),6,10,14-xenicatetraen-17,18-olide; Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044887	14(17)-Vouacapene-6,7-diol, 7-Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044888	15,16-Epoxy-17-hydroxy-12-isocleistanthen-11-one; Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044889	15,16-Epoxy-20-hydroxy-3,13(16),14-clerodatrien-2-one; ent-form, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044890	15,16-Epoxy-3-hydroxy-8,13(16),14-labdatrien-7-one, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044891	15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol, 18-Aldehyde, 7-Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044892	18-Hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044893	2,3-Dihydro-2-(1-hydroxy-1,5-dimethyl-4-hexenyl)-7-(3-methyl-2-butenyl)-5-benzofurancarboxylic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044894	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9',11',12',14',15'-Hexadehydro(Z-Z-), 5-Me ether 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044895	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9',11',12',14',15'-Hexadehydro(all-Z), 5-Me ether 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044896	2,6-Humuladiene-1,4-diol, 4-(4-Hydroxybenzoyl) 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044897	2-Hydroxy-10-oxo-4,10-seco-4,13(15),17-spatatrien-12-al, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044898	3,4-Dihydro-3-hydroxy-2-methyl-8-(3-methyl-2-butenyl)-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-carboxylic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044899	3,7,11,15(17)-Cembratetraen-16,2-olid-19-oic acid, 19-Alcohol, 19-Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044900	3-Hydroxy-9(11),16-kauradien-19-oic acid, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044901	4,6-Germacradiene-8,10-diol; 8-(4-Hydroxybenzoyl) 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044902	5-Hydroxy-10-oxo-4,10-seco-2,13(15),17-spatatrien-12-al, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044903	6,11-Dihydroxy-16-kauren-15-one, 11-Ketone, 6-Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044904	6-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-2,6,8-trimethyl-2H-1-benzopyran-5,7(3H,6H)-dione 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044905	6-Hydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044906	7,18:11,12-Diepoxy-5,7,17-briaratriene-4,14-diol; 4-Deoxy, 14-Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044907	8-(3,7-Dimethyl-2,6-octadienyl)-5-hydroxy-2,6,8-trimethyl-2H-1-benzopyran-4,7(3H,8H)-dione 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044908	8-Daucene-4,6-diol, 6-(2-Hydroxybenzoyl) 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044909	8-Daucene-4,6-diol, 6-(4-Hydroxybenzoyl) 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044910	8-Daucene-4,6-diol, O-(4-Hydroxybenzoyl) 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044911	9,11-Epoxy-1-hydroxy-16-kauren-15-one, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044912	9-Hydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044913	?1(6)-Tetrahydrocannabinolic acid A 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044914	?1-Tetrahydrocannabinolic acid A 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044915	?1-Tetrahydrocannabinolic acid B 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044916	Antibiotic BE 40644 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044917	Arenarol; Quinone, 19-methoxy, 21-hydroxy 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044918	Avarol; 2',5'-Quinone, 6'-hydroxy, 4'-methoxy 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044919	Bolinaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044920	Cannabichromenic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044921	Cannabicyclolic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044922	Cannabidiolic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044923	Canrenoic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044924	Capucinoic acid B 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044925	Cyclospongiaquinone 1 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044926	Cyclospongiaquinone 2 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044927	Cystomexicone A 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044928	Dictyoceratidaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044929	Heyderiol 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044930	Hyatellaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044931	Ialibinone C 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044932	Ilimaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044933	Isometachromin 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044934	Isospongiaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044935	Kuhistanol D 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044936	Libocedrol 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044937	Mamanuthaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044938	Marginatone; 20-Acetoxy 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044939	Mediterraneone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044940	Metachromin A 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044941	Metachromin C 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044942	Palbinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044943	Piperoic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044944	Polycerasoidol 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044945	Shikoccin; 3-Deacetoxy, 7-Ac 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044946	Siccanochromene D; Carboxylic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044947	Siphonodictyal B 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044948	Siphonodictyal C 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044949	Siphonodictyoic acid 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044950	Smenoqualone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044951	Spongiaquinone 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044952	Tauranin 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044953	Tridachiapyrone G 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044954	Tridachione 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044955	Turriculoic acid D; 14'-Alcohol 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MJ044956	Xenovulene A 	C22H30O4	358.214409	NA	MeJP	NA	NA
+MetaCyc03177	cannabichromenic acid [5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromene-6-carboxylic acid;CBCA;]	C22H30O4	358.214409	NA	metacyc	NA	NA
+MetaCyc03178	cannabidiolic acid [3-p-mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid;CBDA;]	C22H30O4	358.214409	NA	metacyc	NA	NA
+MetaCyc03179	&Delta;9-tetrahydrocannabinolic acid [1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid;THCA;]	C22H30O4	358.214409	NA	metacyc	NA	NA
+PJ000508	VLQ 	C16H30N4O5	358.2216	NA	PeJP	NA	NA
+3547	ACE inhibitor	IRA	358.222	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ044957	16,17-Dihydrosecodin-17-ol; 15,20-Dihydro 	C21H30N2O3	358.225642	NA	MeJP	NA	NA
+MJ044958	Ochropposinine 	C21H30N2O3	358.225642	NA	MeJP	NA	NA
+MJ044959	15-Chloro-8-labdene-3,13,14-triol 	C20H35ClO3	358.227472	NA	MeJP	NA	NA
+PJ000509	ALR 	C15H30N6O4	358.2329	NA	PeJP	NA	NA
+MJ044960	6,6'-Methylenebis[1,2-dihydro-2,2,4-trimethylquinoline] 	C25H30N2	358.240898	NA	MeJP	NA	NA
+8103	peptide derived from dried bonito	VKL	358.246	antioxidative	Inhouse_peptide	NA	peptide
+8133	peptide derived from dried bonito	KVI	358.246	stimulating	Inhouse_peptide	NA	peptide
+MJ044961	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(2-Methylpropanoyl) 	C23H34O3	358.250794	NA	MeJP	NA	NA
+MJ044962	3-Hydroxypregn-17(20)-en-16-one, Ac 	C23H34O3	358.250794	NA	MeJP	NA	NA
+MJ044963	3-Hydroxypregn-5-en-20-one, Ac 	C23H34O3	358.250794	NA	MeJP	NA	NA
+MJ044964	Phellinic acid 	C23H34O3	358.250794	NA	MeJP	NA	NA
+MJ044965	Pregna-5,20-diene-3,7-diol, 7-Ac 	C23H34O3	358.250794	NA	MeJP	NA	NA
+MJ044966	Pregna-5,20-diene-3,7-diol, 3-Ac 	C23H34O3	358.250794	NA	MeJP	NA	NA
+C14658	Pregnenolone acetate	C23H34O3	358.2508	NA	KEGG	NA	NA
+C14931	16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol	C23H34O3	358.2508	NA	KEGG	NA	NA
+C15115	11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione	C23H34O3	358.2508	NA	KEGG	NA	NA
+C15266	17abeta-Hydroxy-D-homoandrost-4-en-3-one propionate	C23H34O3	358.2508	NA	KEGG	NA	NA
+C15374	17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate	C23H34O3	358.2508	NA	KEGG	NA	NA
+PJ000510	VLK 	C17H34N4O4	358.258	NA	PeJP	NA	NA
+C15106	3-Oxopregn-4-ene-20beta-carboxaldehyde dioxime	C22H34N2O2	358.262	NA	KEGG	NA	NA
+MJ044967	Ipenoxazone 	C22H34N2O2	358.262028	NA	MeJP	NA	NA
+MJ044968	Kalihinene; 10-Formamide 	C22H34N2O2	358.262028	NA	MeJP	NA	NA
+MJ044969	Kalihinene; 15-Formamide 	C22H34N2O2	358.262028	NA	MeJP	NA	NA
+HMDB05076	13,14-Dihydro PGF-1alpha	C20H38O5	358.27191	http://www.hmdb.ca/metabolites/HMDB05076	HMDB	NA	NA
+HMDB05076	13,14-Dihydro PGF-1alpha	C20H38O5	358.27191	HMDB05076	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05076	13,14-Dihydro PGF-1a	C20H38O5	358.271912	NA	HMDB2010	NA	NA
+MJ044970	1-(4-Hydroxyphenyl)-5-octadecanone; 13,14-Didehydro (Z)- 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044971	1-Phenyl-1,3-octadecanedione 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044972	12-Hydroxy-25-nor-16-scalaren-24-al; 12?-form 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044973	12-Hydroxy-25-nor-17-scalaren-24-al; 12?-form 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044974	19-Nor-15-prenyl-8,13,15-labdatrien-18-oic acid 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044975	3-Hydroxy-4,4,14-trimethylpregn-8-en-20-one 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044976	6,9,12,15,18-Tetracosapentaenoic acid 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044977	9,12,15,18,21-Tetracosapentaenoic acid 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044978	Hollongdione 	C24H38O2	358.28718	NA	MeJP	NA	NA
+MJ044979	Conarrhimine; N3,N3-Di-Me, N23-hydroxy 	C23H38N2O	358.298413	NA	MeJP	NA	NA
+MJ044980	Cribrochalinamine oxide B 	C23H38N2O	358.298413	NA	MeJP	NA	NA
+MJ044981	Holarrhenine; N3-De-Me 	C23H38N2O	358.298413	NA	MeJP	NA	NA
+MJ044982	Antibiotic AKD 2; Antibiotic AKD 2A 	C21H42O4	358.308309	NA	MeJP	NA	NA
+MJ044983	Glycerol 1-alkanoates; Glycerol 1-octadecanoate 	C21H42O4	358.308309	NA	MeJP	NA	NA
+HMDB11131	MG(18:0/0:0/0:0)	C21H42O4	358.308319	NA	HMDB2010	NA	NA
+HMDB11535	MG(0:0/18:0/0:0)	C21H42O4	358.308319	NA	HMDB2010	NA	NA
+MJ044984	2-(1,12-Heneicosadienyl)furan 	C25H42O	358.323565	NA	MeJP	NA	NA
+MJ044985	3,7,11,15,19-Pentamethyl-1,6,10,14,18-eicosapentaen-3-ol 	C25H42O	358.323565	NA	MeJP	NA	NA
+MJ044986	3-Nonadecylphenol; 7',8'-Didehydro(Z-) 	C25H42O	358.323565	NA	MeJP	NA	NA
+MJ044987	7,18-Ophioboladien-3-ol; 3?-form 	C25H42O	358.323565	NA	MeJP	NA	NA
+MJ044988	Floridenol 	C25H42O	358.323565	NA	MeJP	NA	NA
+MJ044989	Geranylfarnesol 	C25H42O	358.323565	NA	MeJP	NA	NA
+MJ044990	Moenocinol 	C25H42O	358.323565	NA	MeJP	NA	NA
+C16818	Ophiobolin F	C25H42O	358.3236	NA	KEGG	NA	NA
+MJ044991	Conessine; 3-Epimer, 5?,6-dihydro 	C24H42N2	358.334799	NA	MeJP	NA	NA
+MJ044992	Conessine; 5?,6-Dihydro 	C24H42N2	358.334799	NA	MeJP	NA	NA
+MJ044993	Cycloprotobuxine I 	C24H42N2	358.334799	NA	MeJP	NA	NA
+MJ044994	Feclemine 	C24H42N2	358.334799	NA	MeJP	NA	NA
+MJ044995	Pregn-5-ene-3,20-diamine, N3,N20,N20-Tri-Me 	C24H42N2	358.334799	NA	MeJP	NA	NA
+MJ044996	3-[(15-Methyloctadecyl)oxy]-1,2-propanediol 	C22H46O3	358.344695	NA	MeJP	NA	NA
+MJ044997	Signatipennine 	C21H46N2O2	358.355928	NA	MeJP	NA	NA
+MJ044998	Secohopane III 	C26H46	358.359951	NA	MeJP	NA	NA
+3279	NA	ACRGDGWCG	358.65345	MH2+	Inhouse_peptide	NA	peptide
+MJ044999	3,4,5-Tribromo-1H-pyrrole-2-carboxylic acid; N-Me 	C6H4Br3NO2	358.779216	NA	MeJP	NA	NA
+C07765	Methyclothiazide	C9H11Cl2N3O4S2	358.9568	NA	KEGG	NA	NA
+MJ045000	Methyclothiazide 	C9H11Cl2N3O4S2	358.956802	NA	MeJP	NA	NA
+C11070	MC-7181	C14H8Cl2FNO5	358.9764	NA	KEGG	NA	NA
+MJ045001	Manzacidin B 	C12H14BrN3O5	359.011683	NA	MeJP	NA	NA
+MJ045002	Barettin 	C16H14BrN3O2	359.026939	NA	MeJP	NA	NA
+C13830	BMS 204352	C16H10ClF4NO2	359.0336	NA	KEGG	NA	NA
+MJ045003	3-(5-Chloro-2-methoxyphenyl)-3-fluoro-1,3-dihydro-6-(trifluoromethyl)-2H-indol-2-one 	C16H10ClF4NO2	359.033619	NA	MeJP	NA	NA
+MJ045004	2-Propenyl glucosinolate 	C10H17NO9S2	359.034472	NA	MeJP	NA	NA
+MetaCyc03180	2-propenyl-glucosinolate [sinigrin;]	C10H17N1O9S2	359.034473	NA	metacyc	NA	NA
+C08427	Sinigrin	C10H17NO9S2	359.0345	NA	KEGG	NA	NA
+C11219	Imazalil nitrate	C14H14Cl2N2O	359.044	NA	KEGG	NA	NA
+MJ045005	Tiazuril 	C17H14ClN3O2S	359.049525	NA	MeJP	NA	NA
+MJ045006	Uldazepam 	C18H15Cl2N3O	359.059217	NA	MeJP	NA	NA
+MJ045007	N2-(4-Bromo-1H-pyrrole-2-carbonyl)homoarginine 	C12H18BrN5O3	359.059302	NA	MeJP	NA	NA
+CJpos0770	3-indole carboxylic acid glucuronide [(M+Na)]+	C15H15NNaO8	359.061175	C18rt(min)=6.2 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0770	3-indole carboxylic acid glucuronide [(M+Na)]+	C15H15NNaO8	359.061175	C18rt(min)=6.2 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ045008	Tazasubrate 	C18H17NO3S2	359.064984	NA	MeJP	NA	NA
+MJ045009	6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine 	C14H12F3N3O5	359.072905	NA	MeJP	NA	NA
+C08342	Triglochinin	C14H17NO10	359.0852	NA	KEGG	NA	NA
+C18062	TRIBOA-glucoside	C14H17NO10	359.0852	NA	KEGG	NA	NA
+MJ045010	Triglochinin 	C14H17NO10	359.085245	NA	MeJP	NA	NA
+MJ045011	Arcyriarubin A; 6',6''-Dihydroxy 	C20H13N3O4	359.090605	NA	MeJP	NA	NA
+MJ045012	Violacein; 5-Hydroxy 	C20H13N3O4	359.090605	NA	MeJP	NA	NA
+MJ045013	Gravacridonechlorine 	C19H18ClNO4	359.092435	NA	MeJP	NA	NA
+MJ045014	Isogravacridonechlorine 	C19H18ClNO4	359.092435	NA	MeJP	NA	NA
+MJ045015	Nuciferine, 3-Chloro, O2,N-dide-Me, N-methoxycarbonyl 	C19H18ClNO4	359.092435	NA	MeJP	NA	NA
+MJ045016	2-Amino-4,5-dihydroxybenzoic acid; 4-Me ether, N-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C18H17NO7	359.100501	NA	MeJP	NA	NA
+MJ045017	Clovamide 	C18H17NO7	359.100501	NA	MeJP	NA	NA
+C11694	Quinoline-3-carboxamides	C21H14FN3O2	359.107	NA	KEGG	NA	NA
+MJ045018	[[[2-[1,1'-Biphenyl]-4-yl-1-(1H-tetrazol-5-yl)ethyl]amino]methyl]phosphonic acid 	C16H18N5O3P	359.114725	NA	MeJP	NA	NA
+C05557	Isopenicillin N	C14H21N3O6S	359.1151	NA	KEGG	NA	NA
+C06564	Penicillin N	C14H21N3O6S	359.1151	NA	KEGG	NA	NA
+MJ045019	Isopenicillin N 	C14H21N3O6S	359.115106	NA	MeJP	NA	NA
+MJ045020	Penicillin N 	C14H21N3O6S	359.115106	NA	MeJP	NA	NA
+MetaCyc03181	penicillin N []	C14H21N3O6S1	359.115106	NA	metacyc	NA	NA
+MetaCyc03182	isopenicillin N []	C14H21N3O6S1	359.115106	NA	metacyc	NA	NA
+MJ045021	Crinasiatine 	C22H17NO4	359.115758	NA	MeJP	NA	NA
+C10584	Crinasiatine	C22H17NO4	359.1158	NA	KEGG	NA	NA
+CJpos0771	Hippuric acid [(2M+H)]+ (13C)	C1713CH19N2O6	359.119275	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0771	Hippuric acid [(2M+H)]+ (13C)	C1713CH19N2O6	359.119275	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0557	Hippuric acid [(2M-H)]- (13C)	C1713CH17N2O6	359.120425	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0557	Hippuric acid [(2M-H)]- (13C)	C1713CH17N2O6	359.120425	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ045022	2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid, 3'-O-?-D-Glucopyranoside 	C15H21NO9	359.121631	NA	MeJP	NA	NA
+HMDB10336	Epinephrine glucuronide	C15H21NO9	359.121643	NA	HMDB2010	NA	NA
+PJ000511	TCH 	C13H21N5O5S	359.1264	NA	PeJP	NA	NA
+MJ045023	Euxylophorine; 7,8-Didehydro 	C21H17N3O3	359.126991	NA	MeJP	NA	NA
+C12717	Dimefline hydrochloride	C20H21NO3	359.1288	NA	KEGG	NA	NA
+C12718	Transferred to D01289	C20H21NO3	359.1288	NA	KEGG	NA	NA
+C12720	Transferred to D01290	C20H21NO3	359.1288	NA	KEGG	NA	NA
+C12721	Transferred to D01291	C20H21NO3	359.1288	NA	KEGG	NA	NA
+C12722	Transferred to D01292	C20H21NO3	359.1288	NA	KEGG	NA	NA
+C12723	Transferred to D01293	C20H21NO3	359.1288	NA	KEGG	NA	NA
+MJ045024	2-[[[4-(3-Methoxypropoxy)-3-methyl-2-pyridinyl]methyl]thio]-1H-benzimidazole; S-Oxide, (±) 	C18H21N3O3S	359.130362	NA	MeJP	NA	NA
+HMDB05026	Rabeprazole	C18H21N3O3S	359.13037	http://www.hmdb.ca/metabolites/HMDB05026	HMDB	NA	NA
+HMDB05026	Rabeprazole	C18H21N3O3S	359.13037	HMDB05026	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05026	Rabeprazole	C18H21N3O3S	359.130371	NA	HMDB2010	NA	NA
+C07864	Rabeprazole	C18H21N3O3S	359.1304	NA	KEGG	NA	NA
+PJ000512	PDE 	C14H21N3O8	359.1329	NA	PeJP	NA	NA
+MJ045025	Lutessine 	C19H21NO6	359.136887	NA	MeJP	NA	NA
+MJ045026	Oxodipine 	C19H21NO6	359.136887	NA	MeJP	NA	NA
+MJ045027	Ungminorine, O3-Ac 	C19H21NO6	359.136887	NA	MeJP	NA	NA
+7637	ACE inhibitor from bonito bowels	GHF	359.147	antioxidative	Inhouse_peptide	NA	peptide
+3	Sarcoplasmic	FHG	359.148	celiac toxic	Inhouse_peptide	NA	peptide
+MJ045028	Capecitabine 	C15H22FN3O6	359.149263	NA	MeJP	NA	NA
+C12650	Capecitabine	C15H22FN3O6	359.1493	NA	KEGG	NA	NA
+C12651	Transferred to D01224	C15H22FN3O6	359.1493	NA	KEGG	NA	NA
+C12652	Transferred to D01225	C15H22FN3O6	359.1493	NA	KEGG	NA	NA
+C12653	Transferred to D01226	C15H22FN3O6	359.1493	NA	KEGG	NA	NA
+C12654	Transferred to D01227	C15H22FN3O6	359.1493	NA	KEGG	NA	NA
+C12655	Transferred to D01228	C15H22FN3O6	359.1493	NA	KEGG	NA	NA
+MJ045029	Anhydrodehydrotylophorinidine; Me ether 	C23H22NO3(+)	359.152143	NA	MeJP	NA	NA
+MJ045030	Dehydroantofine 	C23H22NO3(+)	359.152143	NA	MeJP	NA	NA
+PJ000513	GHF 	C17H21N5O4	359.1594	NA	PeJP	NA	NA
+MJ045031	Angustoline, Et ether 	C22H21N3O2	359.163376	NA	MeJP	NA	NA
+MJ045032	Lusaperidone 	C22H21N3O2	359.163376	NA	MeJP	NA	NA
+C11368	Grepafloxacin	C19H22FN3O3	359.1645	NA	KEGG	NA	NA
+MJ045033	Binfloxacin 	C19H22FN3O3	359.164519	NA	MeJP	NA	NA
+MJ045034	Enrofloxacin 	C19H22FN3O3	359.164519	NA	MeJP	NA	NA
+MJ045035	Grepafloxacin 	C19H22FN3O3	359.164519	NA	MeJP	NA	NA
+MJ045036	1-(4-Fluorophenyl)-4-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-butanone 	C21H23F2NO2	359.169685	NA	MeJP	NA	NA
+MJ045037	Etoxazole 	C21H23F2NO2	359.169685	NA	MeJP	NA	NA
+MJ045038	Tixadil 	C24H25NS	359.17077	NA	MeJP	NA	NA
+MJ045039	Aknadinine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045040	Antibiotic UCS 1025B; 2-Deoxy 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045041	Codamine, N-oxide(S-) 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045042	Dyshomerythrine; 2?-Hydroxy 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045043	Erythlaurine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045044	Erythrartine; Me ether, N-oxide 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045045	Haplophyllidine; Ac 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045046	Homostephanoline 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045047	Jamtine; N-Oxide 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045048	Luteidine; N-Oxide(?-) 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045049	Luteidine; N-Oxide(?-) 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045050	N-Homoveratroylhomoveratrylamine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045051	Phellinine; Me ether 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045052	Poskine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045053	Pretazettine; 3,8-Diepimer, O8-Et 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045054	Prometaphanine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045055	Roemecarine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045056	Sanguinine; O3-(R-3-Hydroxybutanoyl) 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045057	Sinomenine; 14-Epimer, 8-methoxy 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045058	Sinomenine; 8-Methoxy 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045059	Stephanubine 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045060	Tannagine; 14-Epimer, O2-de-Me 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045061	biotic UCS 1025A 	C20H25NO5	359.173272	NA	MeJP	NA	NA
+MJ045062	Captodiame 	C21H29NS2	359.174141	NA	MeJP	NA	NA
+PJ000514	VNQ 	C14H25N5O6	359.1805	NA	PeJP	NA	NA
+PJ000515	PPF 	C19H25N3O4	359.1845	NA	PeJP	NA	NA
+PJ000516	PLM 	C16H29N3O4S	359.1879	NA	PeJP	NA	NA
+PJ000517	GQR 	C13H25N7O5	359.1917	NA	PeJP	NA	NA
+7555	ACE inhibitor from soybean	PGTAVFK	359.1935	MH2+	Inhouse_peptide	NA	peptide
+7738	NA	IAYKPE~	359.194	MH2+	Inhouse_peptide	NA	peptide
+7746	ACE inhibitor from pearl oyster	LVE	359.194	antioxidative	Inhouse_peptide	NA	peptide
+PJ000518	VLE 	C16H29N3O6	359.2057	NA	PeJP	NA	NA
+MJ045063	Athrocupressine; Me ether 	C21H29NO4	359.209658	NA	MeJP	NA	NA
+MJ045064	Incarvilline; O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C21H29NO4	359.209658	NA	MeJP	NA	NA
+MJ045065	Keitine 	C21H29NO4	359.209658	NA	MeJP	NA	NA
+MJ045066	Longetherine 	C21H29NO4	359.209658	NA	MeJP	NA	NA
+MJ045067	Vakhmadine 	C21H30NO4(+)	359.209658	NA	MeJP	NA	NA
+MetaCyc03183	(-)-phenylalanine jasmonate conjugate []	C21H29N1O4	359.209658	NA	metacyc	NA	NA
+PJ000519	VNK 	C15H29N5O5	359.2169	NA	PeJP	NA	NA
+PJ000520	GKR 	C14H29N7O4	359.2281	NA	PeJP	NA	NA
+MJ045068	Curacin D 	C22H33NOS	359.228285	NA	MeJP	NA	NA
+MJ045069	Broussonetine G 	C18H33NO6	359.230787	NA	MeJP	NA	NA
+MJ045070	Broussonetine H 	C18H33NO6	359.230787	NA	MeJP	NA	NA
+MJ045071	Broussonetine N 	C18H33NO6	359.230787	NA	MeJP	NA	NA
+C11805	Loxtidine	C19H29N5O2	359.2321	NA	KEGG	NA	NA
+MJ045072	Gepirone 	C19H29N5O2	359.232125	NA	MeJP	NA	NA
+MJ045073	Lavoltidine 	C19H29N5O2	359.232125	NA	MeJP	NA	NA
+MJ045074	N-[3-(3-Chloro-4-cyclohexylphenyl)-2-propenyl]-N-ethylcyclohexanamine 	C23H34ClN	359.237977	NA	MeJP	NA	NA
+MJ045075	3-Amino-2-hydroxy-5-methylhexanoylvalylvaline 	C17H33N3O5	359.242021	NA	MeJP	NA	NA
+C08656	Ajaconine	C22H33NO3	359.246	NA	KEGG	NA	NA
+C08700	Napelline	C22H33NO3	359.246	NA	KEGG	NA	NA
+MJ045076	Aconosine; 8-Deoxy, 14-ketone 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045077	Ajaconine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045078	Alkaloid GB 18 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045079	Atidine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045080	Brunonine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045081	Corumdizine; N-De-Et, N-Me 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045082	Cyclomethycaine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045083	Himgrine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045084	Karakomine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045085	Lepenine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045086	Napelline 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045087	O20-Deacetyl-5-de(acetyloxy)-8,9-didehydro-2-deoxy-8,12-dihydro-9,22-secoyuzurimin-23-oic acid 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045088	Paravallarine; 11?-Hydroxy 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045089	Paravallarine; 16?-Hydroxy 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045090	Paravallarine; 7?-Hydroxy 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045091	Paravallarine; 7?-Hydroxy 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045092	Songorine; 16R,17-Dihydro 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045093	Spiramine G 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045094	Spiramine H 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045095	Trabzonine 	C22H33NO3	359.246043	NA	MeJP	NA	NA
+MJ045096	Dendroxine; N-(3-Methyl-2-butenyl) 	C22H34NO3(+)	359.246043	NA	MeJP	NA	NA
+MJ045097	Crambescidin 359 	C21H33N3O2	359.257277	NA	MeJP	NA	NA
+MJ045098	Eptastigmine 	C21H33N3O2	359.257277	NA	MeJP	NA	NA
+HMDB13164	2-Hydroxylauroylcarnitine	C19H37NO5	359.267181	NA	HMDB2010	NA	NA
+MJ045099	2-Phenylethylamine; N-(7-Methoxy-4-tetradecenoyl)(4E,7S-) 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045100	3-Aminopregna-5,17(20)-diene-2,16-diol, N,N-Di-Me 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045101	Fritimine 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045102	Kurchiline 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045103	Kurchiphyllamine; N-Me 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045104	Methyl homodaphniphyllate 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045105	Methyl homosecodaphniphyllate 	C23H37NO2	359.282429	NA	MeJP	NA	NA
+MJ045106	20-Aminopregn-5-en-3-ol, N-Di-Me, Me ether 	C24H41NO	359.318814	NA	MeJP	NA	NA
+MJ045107	5-Decanoyl-2-nonylpyridine 	C24H41NO	359.318814	NA	MeJP	NA	NA
+MJ045108	N,N'-Bis(3,7-dimethyl-2,6-octadienyl)guanidine; N3,N4-Di-Me 	C23H41N3	359.330048	NA	MeJP	NA	NA
+MJ045109	Benzylhexadecyldimethylammonium(1+) 	C25H46N(+)	359.3552	NA	MeJP	NA	NA
+MJ045110	Caldoheptamine 	C18H45N7	359.373644	NA	MeJP	NA	NA
+7734	Ala-proctolin	ARYLPT	359.692	MH2+	Inhouse_peptide	NA	peptide
+MJ045111	2,4,6-Tribromo-1,3,5-benzenetriol 	C6H3Br3O3	359.763231	NA	MeJP	NA	NA
+MJ045112	1,1,2-Tribromo-1-octen-3-one 	C8H11Br3O	359.836002	NA	MeJP	NA	NA
+MJ045113	Haloprogin 	C9H4Cl3IO	359.837241	NA	MeJP	NA	NA
+MJ045114	1,8-Dibromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene 	C10H12Br2Cl2	359.868281	NA	MeJP	NA	NA
+MJ045115	Aplysinolide 	C12H10Br2O3	359.899669	NA	MeJP	NA	NA
+MJ045116	Plocamiopyranoid 	C10H15Br2ClO2	359.912732	NA	MeJP	NA	NA
+MJ045117	2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone 	C14H7Cl3O5	359.935906	NA	MeJP	NA	NA
+MJ045118	2,4,5-Trichloro-3,6,8-trihydroxy-1-methylxanthone 	C14H7Cl3O5	359.935906	NA	MeJP	NA	NA
+MJ045119	2,4,7-Trichloro-1,3,6-trihydroxy-8-methylxanthone 	C14H7Cl3O5	359.935906	NA	MeJP	NA	NA
+MJ045120	2,4,7-Trichloro-3,6,8-trihydroxy-1-methylxanthone 	C14H7Cl3O5	359.935906	NA	MeJP	NA	NA
+MJ045121	Aspirochlorine 	C12H9ClN2O5S2	359.96414	NA	MeJP	NA	NA
+MJ045122	Mycorrhizin A, 1'-Bromo analogue, 3-chloro 	C14H14BrClO4	359.976399	NA	MeJP	NA	NA
+MJ045123	2,2':5',2''-Terthiophene-5-methanol; 3-Methyl-2-butenoyl 	C18H16O2S3	360.031241	NA	MeJP	NA	NA
+MJ045124	2,2':5',2''-Terthiophene-5-methanol; Angeloyl 	C18H16O2S3	360.031241	NA	MeJP	NA	NA
+MJ045125	2,2':5',2''-Terthiophene-5-methanol; Tigloyl 	C18H16O2S3	360.031241	NA	MeJP	NA	NA
+MJ045126	Austocystin A; 4-O-De-Me, 2,3-dihydro 	C18H13ClO6	360.040065	NA	MeJP	NA	NA
+MJ045127	Austocystin A; 6-O-De-Me, 2,3-dihydro 	C18H13ClO6	360.040065	NA	MeJP	NA	NA
+MJ045128	Flavellagic acid; 2,3,8-Tri-Me ether 	C17H12O9	360.048131	NA	MeJP	NA	NA
+MJ045129	Flavellagic acid; 3,7,8-Tri-Me ether 	C17H12O9	360.048131	NA	MeJP	NA	NA
+MJ045130	Kasallene 	C15H21BrO5	360.057236	NA	MeJP	NA	NA
+MJ045131	Obtusallenetriol 	C15H21BrO5	360.057236	NA	MeJP	NA	NA
+MJ045132	Arenicochromene 	C21H12O6	360.063388	NA	MeJP	NA	NA
+MJ045133	Cyclocanaliculatin 	C21H12O6	360.063388	NA	MeJP	NA	NA
+MJ045134	Diphthiocol 	C21H12O6	360.063388	NA	MeJP	NA	NA
+MJ045135	Ethyl loflazepate 	C18H14ClFN2O3	360.067698	NA	MeJP	NA	NA
+MJ045136	18-Bromo-9,17-octadecadiene-5,7,15-triynoic acid, Me ester 	C19H21BrO2	360.072492	NA	MeJP	NA	NA
+MJ045137	Unguinol; 2-Chloro 	C19H17ClO5	360.076451	NA	MeJP	NA	NA
+MJ045138	Hexamethonium(2+); Dibromide 	C12H30Br2N2	360.077574	NA	MeJP	NA	NA
+MJ045139	Fosazepam 	C18H18ClN2O2P	360.079442	NA	MeJP	NA	NA
+MJ045140	Nitrovin 	C14H12N6O6	360.081832	NA	MeJP	NA	NA
+C01850	Rosmarinate	C18H16O8	360.0845	NA	KEGG	NA	NA
+C04552	3',4',5-Trihydroxy-3,6,7-trimethoxyflavone	C18H16O8	360.0845	NA	KEGG	NA	NA
+C09764	6-Methoxyaromadendrin 3-O-acetate	C18H16O8	360.0845	NA	KEGG	NA	NA
+C09982	Acerosin	C18H16O8	360.0845	NA	KEGG	NA	NA
+C10031	Chrysosplenol C	C18H16O8	360.0845	NA	KEGG	NA	NA
+C10115	Oxyayanin A	C18H16O8	360.0845	NA	KEGG	NA	NA
+C10116	Oxyayanin B	C18H16O8	360.0845	NA	KEGG	NA	NA
+C10191	Thymonin	C18H16O8	360.0845	NA	KEGG	NA	NA
+C17787	Arcapillin	C18H16O8	360.0845	NA	KEGG	NA	NA
+C17957	Irigenin	C18H16O8	360.0845	NA	KEGG	NA	NA
+HMDB03572	Rosmarinic acid	C18H16O8	360.084503	NA	HMDB2010	NA	NA
+FL2FEGNS0002	Agamanone	C18H16O8	360.08451	143381-59-3	knapsack	NA	NA
+FL3FALNS0010	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C18H16O8	360.08451	144525-19-9	knapsack	NA	NA
+FL3FALNS0013	5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C18H16O8	360.08451	352284-02-7	knapsack	NA	NA
+FL3FEGNS0003	5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone	C18H16O8	360.08451	118169-23-6	knapsack	NA	NA
+FL3FEGNS0004	5,7,4'-Trihydroxy-6,3',5'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;6-Methoxytricin	C18H16O8	360.08451	76015-42-4	knapsack	NA	NA
+FL3FEGNS0005	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	78417-26-2	knapsack	NA	NA
+FL3FEGNS0013	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	178330-71-7	knapsack	NA	NA
+FL3FELNS0002	Arcapillin	C18H16O8	360.08451	83162-82-7	knapsack	NA	NA
+FL3FFGNS0003	5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone	C18H16O8	360.08451	-	knapsack	NA	NA
+FL3FG8NS0004	5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone	C18H16O8	360.08451	92519-92-1	knapsack	NA	NA
+FL3FG8NS0006	5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone	C18H16O8	360.08451	72424-41-0	knapsack	NA	NA
+FL3FGCNS0004	Sideritiflavone;5,3',4'-Trihydroxy-6,7,8-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	70360-12-2	knapsack	NA	NA
+FL3FGCNS0005	Sudachitin;Menthocubanone;Menthokubanone;4',5,7-Trihydroxy-3',6,8-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	4281-28-1	knapsack	NA	NA
+FL3FGCNS0006	Acerosin;3',5,7-Trihydroxy-4',6,8-trimethoxyflavone;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	15835-74-2	knapsack	NA	NA
+FL3FGCNS0007	Thymonin;Majoranin;Mucroflavone B;5,6,4'-Trihydroxy-7,8,3'-trimethoxyflavone;5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	76844-67-2	knapsack	NA	NA
+FL3FGCNS0017	5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone;Isothymonin	C18H16O8	360.08451	99615-01-7	knapsack	NA	NA
+FL3FGLNS0009	Tamadone;2-(2,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	156648-83-8	knapsack	NA	NA
+FL4DCCNS0003	Padmatin 3-acetate	C18H16O8	360.08451	100595-93-5	knapsack	NA	NA
+FL4DCDNS0002	3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate	C18H16O8	360.08451	107390-27-2	knapsack	NA	NA
+FL4DEANS0001	6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate	C18H16O8	360.08451	130926-71-5	knapsack	NA	NA
+FL4DFANS0003	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-acetate	C18H16O8	360.08451	111514-44-4	knapsack	NA	NA
+FL5FAJNM0002	6,8-Di-C-methylmyricetin 4'-methyl ether	C18H16O8	360.08451	72686-98-7	knapsack	NA	NA
+FL5FALNS0001	Oxyayanin A	C18H16O8	360.08451	549-17-7	knapsack	NA	NA
+FL5FALNS0006	Apuleidin	C18H16O8	360.08451	34318-36-0	knapsack	NA	NA
+FL5FALNS0010	Chrysosplenol F	C18H16O8	360.08451	135463-10-4	knapsack	NA	NA
+FL5FALNS0019	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone	C18H16O8	360.08451	-	knapsack	NA	NA
+FL5FCKNS0001	Myricetin 7,3',4'-trimethyl ether	C18H16O8	360.08451	27265-95-8	knapsack	NA	NA
+FL5FDGNM0002	6,8-Di-C-methylmyricetin 3-methyl ether	C18H16O8	360.08451	95905-79-6	knapsack	NA	NA
+FL5FDHNS0002	Myricetin 3,7,3'-trimethyl ether;3,7,3'-Trimethoxy-5,4',5'-trihydroxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	94390-21-3	knapsack	NA	NA
+FL5FDHNS0003	7,4',5'-Trihydroxy-3,5,3'-trimethoxyflavone;2-(3,4-Dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	637774-71-1	knapsack	NA	NA
+FL5FDINS0001	Myricetin 3,3',5'-trimethyl ether	C18H16O8	360.08451	110559-13-2	knapsack	NA	NA
+FL5FDJNM0001	6-C-Methylmyricetin 3,4'-dimethyl ether	C18H16O8	360.08451	69935-14-4	knapsack	NA	NA
+FL5FDJNS0002	Myricetin 3,7,4'-trimethyl ether;5,3',5'-Trihydroxy-3,7,4'-trimethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	15868-40-3	knapsack	NA	NA
+FL5FDKNS0001	Myricetin 3,3',4'-trimethyl ether	C18H16O8	360.08451	80368-72-5	knapsack	NA	NA
+FL5FE8NS0002	5,2',3'-Trihydroxy-3,6,7-trimethoxyflavone	C18H16O8	360.08451	-	knapsack	NA	NA
+FL5FECNS0001	Chrysosplenol C	C18H16O8	360.08451	23370-16-3	knapsack	NA	NA
+FL5FECNS0016	Quercetagetin 3,5,7-trimethyl ether	C18H16O8	360.08451	82784-42-7	knapsack	NA	NA
+FL5FECNS0017	Chrysosplenol D;5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone;Quercetagetin 3,6,7-Trimethyl ether;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	14965-20-9	knapsack	NA	NA
+FL5FECNS0018	Jaceidin;5,7,4'-Trihydroxy-3,6,3'-trimethoxyflavone; Quercetagetin 3,3',6-trimethyl ether;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	10173-01-0	knapsack	NA	NA
+FL5FECNS0019	Centaureidin;5,7,3'-Trihydroxy-3,6,4'-trimethoxyflavone;Desmethoxycentaureidine;Quercetagetin 3,4',6-trimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	17313-52-9	knapsack	NA	NA
+FL5FECNS0020	Oxyayanin-B	C18H16O8	360.08451	548-74-3	knapsack	NA	NA
+FL5FECNS0021	Veronicafolin	C18H16O8	360.08451	578-71-2	knapsack	NA	NA
+FL5FECNS0022	Eupatin	C18H16O8	360.08451	19587-65-6	knapsack	NA	NA
+FL5FECNS0023	Quercetagetin 6,3',4'-trimethyl ether	C18H16O8	360.08451	98790-51-3	knapsack	NA	NA
+FL5FECNS0024	Quercetagetin 7,3',4'-trimethyl ether	C18H16O8	360.08451	99499-83-9	knapsack	NA	NA
+FL5FF8NS0004	5,2',3'-Trihydroxy-3,7,8-trimethoxyflavone	C18H16O8	360.08451	117259-16-2	knapsack	NA	NA
+FL5FF8NS0005	3,5,8-Trihydroxy-7,2'3'-trimethoxyflavone	C18H16O8	360.08451	92585-19-8	knapsack	NA	NA
+FL5FF8NS0006	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone	C18H16O8	360.08451	117259-12-8	knapsack	NA	NA
+FL5FFCNS0013	Gossypetin 3,7,8-trimethyl ether;5,3',4'-Trihydroxy-3,7,8-trimethoxyflavone;3,7,8-Trimethylgossypetin;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	4693-88-3	knapsack	NA	NA
+FL5FFCNS0014	Gossypetin 3,7,3'-trimethyl ether	C18H16O8	360.08451	56305-02-3	knapsack	NA	NA
+FL5FFCNS0015	Gossypetin 3,8,3'-trimethyl ether;5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one	C18H16O8	360.08451	14965-08-3	knapsack	NA	NA
+FL5FFCNS0016	Gossypetin 8,3',4'-trimethyl ether	C18H16O8	360.08451	106854-92-6	knapsack	NA	NA
+FL5FFLNS0001	3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone	C18H16O8	360.08451	135905-58-7	knapsack	NA	NA
+FL5FGANS0002	5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone	C18H16O8	360.08451	120727-34-6	knapsack	NA	NA
+FL5FGANS0003	Sarothrin	C18H16O8	360.08451	57393-71-2	knapsack	NA	NA
+FL5FGANS0004	3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone	C18H16O8	360.08451	102487-40-1	knapsack	NA	NA
+FLIAEGNS0001	Irigenin;5,7,3'-Trimethoxy-6,4',5'-trimethoxyisoflavone	C18H16O8	360.08451	548-76-5	knapsack	NA	NA
+MJ045141	1,2,3,5,8-Pentahydroxy-6-hydroxymethylanthraquinone; 1,2,5-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045142	1,2,3,5,8-Pentahydroxy-6-hydroxymethylanthraquinone; 1,3,5-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045143	1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone; 5,6,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045144	2',3',4',5,5',7-Hexahydroxyflavone; 2',3',5'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045145	2',3',4',5,5',7-Hexahydroxyflavone; 2',4',5'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045146	2',3',4',5,6',7-Hexahydroxyisoflavone; 2',3',6'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045147	2',3,3',4',5,7-Hexahydroxyflavone; 3,4',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045148	2',3,3',5,7,8-Hexahydroxyflavone; 2',3',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045149	2',3,3',5,7,8-Hexahydroxyflavone; 3,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045150	2',3,4',5,5',7-Hexahydroxyflavone; 2',3,5'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045151	2',3,4',5,5',7-Hexahydroxyflavone; 3,4',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045152	2',3,4',5,5',7-Hexahydroxyflavone; 3,5',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045153	2',3,4',5,7,8-Hexahydroxyflavone; 2',3,4'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045154	2',3,4',5,7,8-Hexahydroxyflavone; 4',7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045155	2',3,5,5',6,7-Hexahydroxyflavone; 3,5,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045156	2',3,5,5',7,8-Hexahydroxyflavone; 2',5',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045157	2',3,5,5',7,8-Hexahydroxyflavone; 3,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045158	2',4',5,5',6,7-Hexahydroxyflavone; 2',5',6-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045159	2',4',5,5',6,7-Hexahydroxyflavone; 5',6,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045160	2',4',5,6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045161	2',5,5',6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045162	2',5,6,6',7,8-Hexahydroxyflavone; 6',7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045163	2',5,6,6',7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045164	3',4',5,5',6,7-Hexahydroxyflavanone, 3',6-Di-Me ether, 4',5'-methylene ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045165	3',4',5,5',6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045166	3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045167	3',4',5,5',6,7-Hexahydroxyflavone; 4',6,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045168	3',4',5,5',6,7-Hexahydroxyflavone; 5',6,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045169	3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',6-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045170	3',4',5,5',7,8-Hexahydroxyflavone; 3',4',8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045171	3',4',5,5',7,8-Hexahydroxyflavone; 4',5,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045172	3',4',5,6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045173	3',4',5-Trihydroxy-3,6,7-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045174	3',4',5-Trihydroxy-3,7,8-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045175	3',4',7-Trihydroxy-3,5,8-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045176	3',5,6-Trihydroxy-3,4',7-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045177	3',5,7-Trihydroxy-3,4',6-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045178	3',5,7-Trihydroxy-4',6,8-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045179	3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavone; 3-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045180	3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavone; 4'-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045181	3,3',4',5,5',7-Hexahydroxy-6-methylflavone; 3,4'-Di-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045182	3,3',4',5,5',7-Hexahydroxyflavone; 3',4',5'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045183	3,3',4',5,5',7-Hexahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045184	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045185	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',5'-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045186	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045187	3,3',4',5,5',7-Hexahydroxyflavone; 3,4',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045188	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045189	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045190	3,3',4',5,6,7-Hexahydroxyflavone; 3',6,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045191	3,3',4',5,6,7-Hexahydroxyflavone; 3,5,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045192	3,3',4',5,7,8-Hexahydroxyflavone; 3',4',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045193	3,3',4',5,7,8-Hexahydroxyflavone; 3',4',8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045194	3,3',4',5,7,8-Hexahydroxyflavone; 3',7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045195	3,3',4',5,7,8-Hexahydroxyflavone; 3,3',7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045196	3,3',4',5,7-Pentahydroxyflavanone, 3'-Me ether, 3-Ac 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045197	3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 3-Ac 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045198	3,3',5-Trihydroxy-4',6,7-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045199	3,4',5,6,7,8-Hexahydroxyflavone; 3,6,7-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045200	3,4',5,6,7,8-Hexahydroxyflavone; 3,6,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045201	3,4',5,6,7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045202	3,4',5,6,7-Pentahydroxyflavanone, 6-Me ether, 3-Ac 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045203	3,4',5,7,8-Pentahydroxyflavanone, 3-Ac, 8-Me ether 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045204	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl) 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045205	3-(3,4-Dihydroxyphenyl)-3-hydroxypropanoic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045206	4',5,6-Trihydroxy-3',7,8-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045207	4',5,6-Trihydroxy-3,3',7-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045208	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045209	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045210	4',5,7-Trihydroxy-3,3',8-trimethoxyflavone 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045211	Byakangelicin, 2',3'-Carbonate 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045212	Dibefurin 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045213	Dihydrostemonal; 9-O-De Me 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045214	Hypoprotocetraric acid; 5'-Hydroxy 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045215	Mycoversilin 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045216	Pulvinatal 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045217	Versiconol 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MJ045218	Rosmarinate 	C18H16O8	360.084517	NA	MeJP	NA	NA
+MetaCyc03184	rosmarinate []	C18H16O8	360.084517	537-15-5	metacyc	NA	NA
+MetaCyc03185	rosmarinic acid []	C18H16O8	360.084517	NA	metacyc	NA	NA
+MetaCyc03186	3',4',5-trihydroxy-3,6,7-trimethoxyflavone []	C18H16O8	360.084517	NA	metacyc	NA	NA
+HMDB03572	Rosmarinic acid	C18H16O8	360.08453	http://www.hmdb.ca/metabolites/HMDB03572	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03572	Rosmarinic acid	C18H16O8	360.08453	http://www.hmdb.ca/metabolites/HMDB03572	HMDB	NA	NA
+HMDB03572	Rosmarinic acid	C18H16O8	360.08453	http://www.hmdb.ca/metabolites/HMDB03572	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03572	Rosmarinic acid	C18H16O8	360.08453	HMDB03572	PFEM_hmdb_metabocards_official	NA	NA
+FL2FA9NS0008	Pinocembrin 7-O-benzoate	C22H16O5	360.09977	153653-38-4	knapsack	NA	NA
+MJ045219	5,7-Dihydroxyflavanone, 7-O-Benzoyl 	C22H16O5	360.099773	NA	MeJP	NA	NA
+MJ045220	Ebenone 	C22H16O5	360.099773	NA	MeJP	NA	NA
+MJ045221	Latinone 	C22H16O5	360.099773	NA	MeJP	NA	NA
+MJ045222	2',3',4',6'-Tetrahydroxyacetophenone; 6'-Me ether, 3'-O-?-D-glucopyranoside 	C15H20O10	360.105646	NA	MeJP	NA	NA
+MJ045223	3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether, 4-O-?-D-glucopyranoside 	C15H20O10	360.105646	NA	MeJP	NA	NA
+MJ045224	3,4,5-Trihydroxybenzoic acid; 3,5-Di-Me ether, ?-D-glucopyranosyl ester 	C15H20O10	360.105646	NA	MeJP	NA	NA
+MJ045225	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 4'-O-?-D-Glucopyranoside 	C15H20O10	360.105646	NA	MeJP	NA	NA
+HMDB00496	3-Methoxy-4-hydroxyphenylglycol glucuronide	C15H20O10	360.10565	http://www.hmdb.ca/metabolites/HMDB00496	HMDB	NA	NA
+HMDB00496	3-Methoxy-4-hydroxyphenylglycol glucuronide	C15H20O10	360.10565	HMDB00496	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00496	3-Methoxy-4-hydroxyphenylglycol glucuronide	C15H20O10	360.105652	NA	HMDB2010	NA	NA
+MJ045226	Chloracyzine 	C19H21ClN2OS	360.106311	NA	MeJP	NA	NA
+MJ045227	Haletazole 	C19H21ClN2OS	360.106311	NA	MeJP	NA	NA
+C07586	Fenofibrate	C20H21ClO4	360.1128	NA	KEGG	NA	NA
+C07587	Transferred to D00566	C20H21ClO4	360.1128	NA	KEGG	NA	NA
+MJ045228	Fenofibric acid; Isopropyl ester 	C20H21ClO4	360.112836	NA	MeJP	NA	NA
+MJ045229	Acalyphin 	C14H20N2O9	360.11688	NA	MeJP	NA	NA
+MJ045230	Leucenine, O-?-D-Glucopyranoside 	C14H20N2O9	360.11688	NA	MeJP	NA	NA
+MJ045231	Palythine; 3-N-(1,2-Dicarboxyethyl) 	C14H20N2O9	360.11688	NA	MeJP	NA	NA
+C08324	Acalyphin	C14H20N2O9	360.1169	NA	KEGG	NA	NA
+C09403	Elephantopin	C19H20O7	360.1209	NA	KEGG	NA	NA
+C09467	Goyazensolide	C19H20O7	360.1209	NA	KEGG	NA	NA
+C09576	Vernodalin	C19H20O7	360.1209	NA	KEGG	NA	NA
+C14940	2,3-Dihydro-2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-	C19H20O7	360.1209	NA	KEGG	NA	NA
+C14941	Pyrethrins	C19H20O7	360.1209	NA	KEGG	NA	NA
+FL1CGANS0001	2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone	C19H20O7	360.1209	58497-38-4	knapsack	NA	NA
+FL1CGANS0002	4,3'-Hydroxy-2',4',5',6'-methoxychalcone	C19H20O7	360.1209	252235-10-2	knapsack	NA	NA
+FL2FAKNM0001	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone	C19H20O7	360.1209	88839-96-7	knapsack	NA	NA
+FL2FALNS0005	Heteroflavanone A	C19H20O7	360.1209	151171-28-7	knapsack	NA	NA
+FL2FCKNS0001	5-Hydroxy-7,3',4',5'-tetramethoxyflavanone	C19H20O7	360.1209	92585-23-4	knapsack	NA	NA
+FL2FECNS0003	Agestricin C	C19H20O7	360.1209	85563-75-3	knapsack	NA	NA
+FL2FECNS0006	5-Hydroxy-6,7,3',4'-tetramethoxyflavanone	C19H20O7	360.1209	115920-39-3	knapsack	NA	NA
+FL2FECNS0007	Agecorynin E;4-Hydroxy-5,6,7,3'-tetramethoxyflavanone	C19H20O7	360.1209	104169-56-4	knapsack	NA	NA
+FL2FGANS0003	5-Hydroxy-6,7,8,4'-tetramethoxyflavanone	C19H20O7	360.1209	75917-10-1	knapsack	NA	NA
+FL63ACNP0001	9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin	C19H20O7	360.1209	162793-68-2	knapsack	NA	NA
+FL63ACNP0002	Pyranochromene;[2R-(2alpha,3alpha,8beta,10alpha)]-2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol	C19H20O7	360.1209	162871-91-2	knapsack	NA	NA
+FL63PTNM0002	Elaeocyanidin	C19H20O7	360.1209	99257-51-9	knapsack	NA	NA
+FLICQUNS0006	Abruquinone A;6,7,3',4'-Tetramethoxy-2',5'-isoflavanquinone	C19H20O7	360.1209	71593-10-7	knapsack	NA	NA
+FLID3GNS0001	8-Hydroxy-3,4,9,10-tetramethoxypterocarpan	C19H20O7	360.1209	76474-67-4	knapsack	NA	NA
+MJ045232	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Xylopyranoside 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045233	11-Tridecene-3,5,7,9-tetrayne-1,2-diol, 2-O-?-D-Glucopyranoside 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045234	2',3',4,4',5',6'-Hexahydroxychalcone; 2',3',4',6'-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045235	2',3',4,4',5',6'-Hexahydroxychalcone; 2',4,4',5'-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045236	2',4',5,6',7-Pentahydroxyflavanone; 2',4',6',7-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045237	2',5,6',7,8-Pentahydroxyflavanone, 2',6',7,8-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045238	2-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-10-methyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,8-triol 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045239	3',4',5,5',7-Pentahydroxy-6,8-dimethylflavanone, 3',4'-Di-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045240	3',4',5,5',7-Pentahydroxyflavanone, 3',4',5',7-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045241	3',4',5,6,7-Pentahydroxyflavanone, 3',4',5,7-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045242	3',4',5,6,7-Pentahydroxyflavanone, 3',4',6,7-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045243	3',4',5,6,7-Pentahydroxyflavanone, 3',5,6,7-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045244	3'-Methylevernic acid; Me ester 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045245	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045246	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-2-propenoyl) 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045247	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-(2-Methyl-2-propenoyl) 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045248	3,4,8,9,10-Pentahydroxypterocarpan, 3,4,9,10-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045249	3-(3,4-Dihydroxybenzyl)-5,6,7-trihydroxy-4-chromanone; 3',6,7-Tri-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045250	3-(3,4-Dihydroxybenzyl)-5,7,8-trihydroxy-6-methyl-4-chromanone, 7,8-Di-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045251	3-Tridecene-5,7,9,11-tetrayne-1,2-diol, 2-O-?-D-Glucopyranoside 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045252	4',5,6,7,8-Pentahydroxyflavanone, 4',6,7,8-Tetra-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045253	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-(2-Methylpropenoyl) 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045254	5,6,7,8-Tetrahydroxy-3-(4-hydroxybenzyl)-4-chromanone, 6,7,8-Tri-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045255	5,8-Dihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8,9-Didehydro(E-),4?,15-epoxide, 8-(2-methylpropenoyl) 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045256	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(Methoxyacetyl) 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045257	6-Methoxy-3',4'-dehydromurranganon; O-Propanoyl 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045258	Abruquinone A 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045259	Annulin A 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045260	Antibiotic Ro 09-2210 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045261	Antibiotic UCF 76A 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045262	Barbatic acid 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045263	Curlignan 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045264	Elaeocyanidin 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045265	Excavatin D, 2'?,3'?-Dihydroxy, 2',3'-dihydro 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045266	Excavatin D, 7'?,9'-Dihydroxy, 6',7'-dihydro 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045267	Excavatin D, 7'?-Hydroxy, 6',7'-dihydro, 2'?,3'?-epoxide 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045268	Gibberellin A21; 2,3-Didehydro 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045269	Icacenone 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045270	Obtusatic acid; 2-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045271	Stigmahamone II; 3-Me ether 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045272	Subdivaricatic acid 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045273	Teuponin 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045274	Typhic acid 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045275	Ulugbinic acid 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045276	Vaginidiol; 3'-O-Propanoyl, 1''-Ac 	C19H20O7	360.120902	NA	MeJP	NA	NA
+MJ045277	Vernolepin, 2-Hydroxymethyl-2-propenoyl 	C19H20O7	360.120902	NA	MeJP	NA	NA
+CJneg0558	Hippuric acid [(2M-H)]- (13C2)	C1613C2H17N2O6	360.123725	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0558	Hippuric acid [(2M-H)]- (13C2)	C1613C2H17N2O6	360.123725	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ045278	Oxazafone 	C19H21ClN2O3	360.12407	NA	MeJP	NA	NA
+CJpos0772	Theobromine [(2M+H)]+	C14H17N8O4	360.128875	C18rt(min)=4.79 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0772	Theobromine [(2M+H)]+	C14H17N8O4	360.128875	C18rt(min)=4.79 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ045279	1-Bromo-4,6-eudesmanediol, 6-Ac 	C17H29BrO3	360.130007	NA	MeJP	NA	NA
+C07184	Valacyclovir	C13H20N6O4	360.1313	NA	KEGG	NA	NA
+EUR021	Dityrosine	C18H20N2O6	360.1321	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR021	Dityrosine	C18H20N2O6	360.1321	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR021	Dityrosine	C18H20N2O6	360.1321	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR021	Dityrosine	C18H20N2O6	360.1321	Wishlist	Inhousejuil11	NA	NA
+C07713	Nitrendipine	C18H20N2O6	360.1321	NA	KEGG	NA	NA
+C17754	3-Methoxytyramine-betaxanthin	C18H20N2O6	360.1321	NA	KEGG	NA	NA
+MJ045280	Antibiotic SF 2140 	C18H20N2O6	360.132136	NA	MeJP	NA	NA
+MJ045281	Dityrosine 	C18H20N2O6	360.132136	NA	MeJP	NA	NA
+MJ045282	Isodityrosine 	C18H20N2O6	360.132136	NA	MeJP	NA	NA
+MJ045283	Nitrendipine 	C18H20N2O6	360.132136	NA	MeJP	NA	NA
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	HMDB	NA	NA
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	Inhouse_PFEM	NA	NA
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR021	Dityrosine	C18H20N2O6	360.132138	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06045	Dityrosine	C18H20N2O6	360.13214	http://www.hmdb.ca/metabolites/HMDB06045	HMDB	NA	NA
+HMDB06045	Dityrosine	C18H20N2O6	360.13214	HMDB06045	PFEM_hmdb_metabocards_official	NA	NA
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	PFEM_hmdb_metabocards_urine	NA	urine
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	HMDB	NA	NA
+HMDB06045	Dityrosine	C18H20N2O6	360.132141	NA	HMDB2010	NA	NA
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	Inhouse_PFEM	NA	NA
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	PFEM_hmdb_metabocards_blood	NA	blood
+TEST015	Dityrosine	C18H20N2O6	360.132141	http://www.hmdb.ca/metabolites/HMDB06045	PFEM_hmdb_metabocards_official	NA	NA
+7640	ACE inhibitor from porcine myosin (79-81)	MNP	360.1353	antioxidative	Inhouse_peptide	NA	peptide
+9	Myosin	MNP	360.136	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000521	NNN 	C12H20N6O7	360.1394	NA	PeJP	NA	NA
+MJ045284	Dercitin 	C21H20N4S	360.140867	NA	MeJP	NA	NA
+C11636	7-Deoxyloganate	C16H24O9	360.142	NA	KEGG	NA	NA
+C11649	8-Epideoxyloganic acid	C16H24O9	360.142	NA	KEGG	NA	NA
+MJ045285	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 3',4'-Di-Me ether, 1-O-?-D-glucopyranoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045286	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 3',4'-Di-Me ether, 2-O-?-D-glucopyranoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045287	1-Deglucosylpenstemonosidic acid glucoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045288	2-(3,4-Dihydroxyphenyl)-1,3-propanediol; 3'-Me ether, 1-O-?-D-glucopyranoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045289	6-Hydroxyboschnaloside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045290	Aldoxoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045291	Aucubigenin; 6-Epimer, 6-Me ether, 1-O-?-D-glucopyranoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045292	Aucubigenin; 6-Me ether, 1-O-?-D-glucopyranoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045293	Cachineside I 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045294	Deoxyloganic acid 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045295	Illicinolide A; 9?-Hydroxy 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045296	Mussaenosidic acid; 1''-Aldehyde 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045297	Paeonisuffrone; 1-O-?-D-Glucopyranoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045298	Semperoside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MJ045299	Stansioside 	C16H24O9	360.142032	NA	MeJP	NA	NA
+MetaCyc03187	7-deoxyloganate []	C16H24O9	360.142032	NA	metacyc	NA	NA
+PJ000522	PNM 	C14H24N4O5S	360.1468	NA	PeJP	NA	NA
+MJ045300	Nadifloxacin 	C19H21FN2O4	360.148535	NA	MeJP	NA	NA
+C17302	AL-294	C21H25ClO3	360.1492	NA	KEGG	NA	NA
+MJ045301	Delmadinone 	C21H25ClO3	360.149222	NA	MeJP	NA	NA
+C13676	LY395153	C19H24N2O3S	360.1508	NA	KEGG	NA	NA
+FL1D1ANI0003	Brosimacutin H	C20H24O6	360.15728	350221-45-3	knapsack	NA	NA
+FL1DRTNI0001	Brosimacutin I	C20H24O6	360.15728	350221-46-4	knapsack	NA	NA
+FL6D1CNS0007	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether	C20H24O6	360.15728	77292-34-3	knapsack	NA	NA
+MJ045302	1,10-Epoxy-8-hydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045303	1,10-Epoxy-8-hydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-2,3-epoxybutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045304	1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045305	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045306	1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-2-buten-1-one; 1''-Alcohol, 1''-O-(2-acetoxymethyl-2-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045307	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045308	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045309	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045310	11,12,14-Trihydroxy-7-oxo-8,11,13-icetexatrien-19,10-olide; 10?-form 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045311	12-Hydroxy-6,11,14-trioxo-8,12-abietadien-18-oic acid 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045312	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8,17-Didehydro, 3-ketone 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045313	15,16-Epoxy-6-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045314	15-Hydroxy-7-oxo-8,13-labdadiene-16,15:19,6-diolide; 15?-form 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045315	16-(1-Methyl-1-propenyl)eremantholanolide 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045316	2,14-Dihydroxycacalol; 2?-form, 9-O-Propanoyl, 14-Ac 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045317	2,5,8-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045318	2,5-Epoxy-2,8-dihydroxy-1(10),3,11(13)-germacratrien-12,6-olide, O2-Me, 8-(2-methylpropenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045319	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045320	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',5-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045321	3',4',5',6,7-Pentahydroxyflavan; Penta-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045322	3',4',5',7,8-Pentahydroxyflavan, Penta-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045323	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045324	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',4'-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045325	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045326	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045327	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 4,5-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045328	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',4'-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045329	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045330	3,10-Epoxy-8-hydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045331	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045332	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045333	3,14-Epoxy-8,14-dihydroxy-1,4(15),11(13)-elematrien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045334	3,3',4,4',7-Pentahydroxyflavan, Penta-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045335	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045336	3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045337	3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045338	3,4-Epoxy-8,14-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045339	3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045340	3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045341	3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045342	3,4:15,16-Diepoxy-10-hydroxy-6-oxo-13(16),14-clerodadien-20,12-olide 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045343	3,4:15,16-Diepoxy-7-oxo-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045344	3,4:8,12:15,16-Triepoxy-10-hydroxy-13(16),14-clerodadien-20,1-olide 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045345	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-(2,3-Epoxy-2-methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045346	3,8,14-Trihydroxy-1(10),4(15),11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045347	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045348	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045349	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045350	4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045351	4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan; 7?-Hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045352	4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 9-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045353	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?5'-Isomer(E-), 7'-hydroperoxy, 10'-hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045354	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?5'-Isomer(E-), 7'-hydroperoxy, 4'-hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045355	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 10'-hydroxy, 6'R-hydroperoxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045356	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 4'S-hydroxy, 6'R-hydroperoxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045357	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, ?7'-Isomer, 4'S-hydroxy, 6'S-hydroperoxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045358	5-Acetyl-2,3-dihydro-3,6,7-trihydroxy-2-isopropenylbenzofuran, 6,7-Di-Me ether, 3-O-angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045359	5-Hydroxy-2,2,8-trimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 2',3'-Dihydro, 2',3'-dihydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045360	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045361	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045362	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045363	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 9-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045364	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045365	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045366	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045367	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045368	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(2,3-epoxy-2-methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045369	6-Methoxymarmin; 6'-Ketone 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045370	7,12,20-Trihydroxy-11,14-dioxo-8,12-abietadien-19-oic acid; 7?-form, 19?20 Lactone 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045371	7,12-Dihydroxy-8,12-abietadiene-12,6-olide 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045372	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,3-Epoxy-5-hydroxy-3,7-dimethyl-6-octenyl), 8-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045373	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(2,6-Dihydroxy-7-methyl-3-methylene-7-octenyl), O8-Me 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045374	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(5,6-Dihydroxy-3,7-dimethyl-2,7-octadienyl), 8-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045375	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6,7-Epoxy-5-hydroxy-3,7-dimethyl-2-octenyl), 8-Me ether 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045376	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyl)(2E,6S-), O8-Me 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045377	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(7-Hydroperoxy-3,7-dimethyl-2,5-octadienyl)(E,E-), O8-Me 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045378	7,8-Dihydroxy-9-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045379	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045380	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, O-(2,3-epoxy-2-methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045381	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045382	8,9-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045383	8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, O-(3-Methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045384	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045385	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045386	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045387	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-15-oic acid, O-Angeloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045388	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-15-oic acid, O-Tigloyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045389	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,5-Dihydro-5-hydroxy-2-furancarbonyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045390	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,2-diolide, 2-Methylbutanoyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045391	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 3?,4?-epoxide, O-(3-methyl-2-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045392	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045393	9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 2-Methylbutanoyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045394	Betolide; 7-Oxo, 17-alcohol 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045395	Bipinnapterolide A 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045396	Bipinnatolide J 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045397	Canellin C 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045398	Casegravol; 4'-O-(3-Methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045399	Cordatolide E 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045400	Cordatooblongic acid 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045401	Elemacronquistianthusic acid; 8?-Angeloyloxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045402	Elemacronquistianthusic acid; 8?-Tigloyloxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045403	Eremantholide B; 17,18-Didehydro(Z-) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045404	Eriocalyxin A; 6-Carboxylic acid 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045405	Hassanin 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045406	Isochiliolide lactone; 6?-Hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045407	Isochiliolide lactone; 8?-Hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045408	Isoethuliacoumarin A; 7',8-Dihydro, 7'-hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045409	Jamesoniellide E; 20?-Alcohol (lactol) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045410	Kallolide C 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045411	Marmin, 6'-O-Formyl 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045412	Murrangatin, 2'-O-(3-Methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045413	Paniculonol; O-(3-Methylbutanoyl) 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045414	Rhoiptelol B 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045415	Rosmadial; 16-Hydroxy 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045416	Sanguinone A 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045417	Sculponeatin B; 15-Ketone 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045418	Sculponeatin C 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045419	Secobipinnatin J 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045420	Teumicropin; 6-Ketone 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045421	Teusalvin F 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045422	Triptolide 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045423	Villosin C 	C20H24O6	360.157288	NA	MeJP	NA	NA
+MJ045424	Zearalenone, 4-Ac 	C20H24O6	360.157288	NA	MeJP	NA	NA
+C09204	Triptolide	C20H24O6	360.1573	NA	KEGG	NA	NA
+C09449	Euponin	C20H24O6	360.1573	NA	KEGG	NA	NA
+C09452	Fastigilin C	C20H24O6	360.1573	NA	KEGG	NA	NA
+C09513	Molephantinin	C20H24O6	360.1573	NA	KEGG	NA	NA
+C09514	Multigilin	C20H24O6	360.1573	NA	KEGG	NA	NA
+C10646	Lariciresinol	C20H24O6	360.1573	NA	KEGG	NA	NA
+C14289	Dibenzo-18-crown-6	C20H24O6	360.1573	NA	KEGG	NA	NA
+MJ045425	Suxamethonium(2+); Dichloride 	C14H30Cl2N2O4	360.158262	NA	MeJP	NA	NA
+MJ045426	Lepidine 	C21H20N4O2	360.158625	NA	MeJP	NA	NA
+MJ045427	Mefeclorazine 	C20H25ClN2O2	360.160455	NA	MeJP	NA	NA
+PJ000523	VNE 	C14H24N4O7	360.1645	NA	PeJP	NA	NA
+7491	ACE inhibitor	GVW	360.168	antioxidative	Inhouse_peptide	NA	peptide
+8342	fragment 43-48 of bovine lactoferrin	LECIRA	360.174	MH2+	Inhouse_peptide	NA	peptide
+PJ000524	GER 	C13H24N6O6	360.1758	NA	PeJP	NA	NA
+MJ045428	7-[(4-Fluorophenoxy)methyl]-2-(5-fluoro-2-pyrimidinyl)octahydro-2H-pyrido[1,2-a]pyrazine 	C19H22F2N4O	360.176167	NA	MeJP	NA	NA
+MJ045429	6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, O-?-D-Glucopyranoside, Me ester 	C17H28O8	360.178417	NA	MeJP	NA	NA
+MJ045430	Carbazeran 	C18H24N4O4	360.179755	NA	MeJP	NA	NA
+PJ000525	GVW 	C18H24N4O4	360.1798	NA	PeJP	NA	NA
+7580	ACE inhibitor	RW	360.18	antioxidative	Inhouse_peptide	NA	peptide
+8214	Antioxidative peptide	RW	360.18	NA  ;SYN:2-Aminoacetate; 2-Aminoacetic acid; Aciport; Aminoacetate; Aminoacetic acid; Aminoethanoate; Aminoethanoic acid; Glicoamin; Glycocoll; Glycolixir; Glycosthene; Gyn-Hydralin; Padil; amino-Acetate; amino-Acetic acidH2Bile; Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ000526	RW 	C17H24N6O3	360.191	NA	PeJP	NA	NA
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR374	Aldosterone F1	NA	360.192875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR374	Aldosterone F1	NA	360.192875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR374	Aldosterone F1	NA	360.192875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR374	Aldostérone F1	C21H28O6	360.192875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR374	Aldosterone F1	NA	360.192875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR374	Aldosterone F1	C21H28O6	360.192875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02802	Cortisone	C21H28O5	360.19366	http://www.hmdb.ca/metabolites/HMDB02802	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02802	Cortisone	C21H28O5	360.19366	http://www.hmdb.ca/metabolites/HMDB02802	HMDB	NA	NA
+HMDB02802	Cortisone	C21H28O5	360.19366	http://www.hmdb.ca/metabolites/HMDB02802	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02802	Cortisone	C21H28O5	360.19366	HMDB02802	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00037	Aldosterone	C21H28O5	360.193665	NA	HMDB2010	NA	NA
+HMDB02802	Cortisone	C21H28O5	360.193665	NA	HMDB2010	NA	NA
+MJ045431	Aldosterone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045432	Cortisone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045433	1,10-Epoxyfuranoeremophilane-6,9-diol, 6-(3-Methyl-2-pentenoyl) 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045434	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2-Me ether, 8-angeloyl 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045435	11,12,14,20-Tetrahydroxy-5,8,11,13-abietatetraen-7-one; 20-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045436	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 12-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045437	11,12-Epoxy-7-drimene-6,9,11-triol, 11-Ketone (lactone), 6-O-(2E,4E-hexadienoyl) 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045438	15,16-Epoxy-1,3,13(16),14-clerodatetraen-18-oic acid, 15,16-Dihydro, 15-methoxy, 16-oxo 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045439	15,16-Epoxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, 20?-Alcohol, Me ester 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045440	17,21-Dihydroxypregn-4-ene-3,11,20-trione 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045441	2,16-Epoxy-13-hydroxy-1(15),3,7,11-cembratetraen-20-oic acid, 16-Oxo, Me ester 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045442	2,6,13-Trioxo-4,7,11-cembratrien-18-oic acid; Me ester 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045443	3,14-Dihydroxypregn-5-ene-11,15,20-trione 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045444	3,20-Epoxy-3,11,12-trihydroxy-8,11,13-abietatrien-7-one, 12-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045445	3,3',4,4',5-Pentahydroxylignan; 3,3',5-Tri-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045446	3,3',4,4',7-Pentahydroxylignan, 3,3',4-Tri-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045447	3,4-Dihydro-5,6,8-trihydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Me ether, 6-O-(3,7-dimethyl-2,6-octadienyl) 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045448	3,8,14-Trihydroxypregna-5,11-dien-18,20-olide 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045449	6-(2,4-Dihydroxy-8-phenyloctyl)-5,6-dihydro-2H-pyran-2-one, 2'-Ac 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045450	6-(2,4-Dihydroxy-8-phenyloctyl)-5,6-dihydro-2H-pyran-2-one, 4'-Ac 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045451	6-Hydroxyfuranoeremophil-1(10)-en-9-one, 1?,10?-Epoxide, O-(3-methylpentanoyl) 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045452	6-Hydroxyfuranoeremophilan-15-oic acid, 6-O-Angeloyl, Me ester 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045453	7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 7-Formyl 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045454	7-Hydroxy-1,3,11-cembratrien-20,8-olid-18-oic acid, 7-Ketone, Me ester 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045455	7-Hydroxy-18-nor-4-oxo-2,13-clerodadien-16,15-olide, Ac 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045456	7-Oxo-11,12,14-trihydroxy-8,11,13-abietrien-20-al; 12-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045457	8,9-Epoxy-12-hydroxy-12-abietene-7,11,14-trione, Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045458	Aldosterone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045459	Amalogenin A 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045460	Aparisthman 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045461	Caesaljapin 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045462	Cinerin II 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045463	Dendryphiellin A 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045464	Digifologenin 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045465	Furanoeremophil-1(10)-ene-3,6-diol, 6-(2-Methylpropanoyl), 3-Ac 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045466	Furanoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl), 6-Ac 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045467	Ganomycin A 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045468	Helinudiquinone; 6-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045469	Isochromophilone III; Dechloro, 8-Ac 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045470	Perforaquassin C; 1-Ketone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045471	Prednisolone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045472	Promalabaricone B 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045473	Rosmanol; 7-Epimer, 7-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045474	Rosmanol; 7-Me ether 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045475	Roxibolone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045476	Sarcophytin; 6,7-Didehydro 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045477	Sarcophytin; 7,15-Didehydro 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045478	Strictic acid; 15,16-Dihydro, 15-methoxy, 16-oxo 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MJ045479	Tricyclodehydroisohumulone 	C21H28O5	360.193674	NA	MeJP	NA	NA
+MetaCyc03188	cortisone [tetrahydrocortisone;adreson;]	C21H28O5	360.193674	53-06-5	metacyc	NA	NA
+MetaCyc03189	aldosterone []	C21H28O5	360.193674	NA	metacyc	NA	NA
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	HMDB	NA	NA
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	Inhouse_PFEM	NA	NA
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR095	Aldosterone	C21H28O5	360.193675	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR095	Aldosterone	C21H28O5	360.1937	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR635	Cortisone 	[M+H]+	360.1937	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR095	Aldosterone	C21H28O5	360.1937	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR635	Cortisone 	[M+H]+	360.1937	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR095	Aldosterone	C21H28O5	360.1937	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR635	Cortisone 	[M+H]+	360.1937	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR095	Aldosterone	C21H28O5	360.1937	Wishlist	Inhousejuil11	NA	NA
+EUR635	Cortisone 	[M+H]+	360.1937	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00762	Cortisone	C21H28O5	360.1937	NA	KEGG	NA	NA
+C01780	Aldosterone	C21H28O5	360.1937	NA	KEGG	NA	NA
+C07369	Prednisolone	C21H28O5	360.1937	NA	KEGG	NA	NA
+C09846	Cinerin II	C21H28O5	360.1937	NA	KEGG	NA	NA
+C10723	Tricyclodehydroisohumulone	C21H28O5	360.1937	NA	KEGG	NA	NA
+C18039	Aldosterone hemiacetal	C21H28O5	360.1937	NA	KEGG	NA	NA
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	HMDB	NA	NA
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	Inhouse_PFEM	NA	NA
+MLBis006	Cortisone	NA	360.1943	361.2015	Inhouse_sept12	NA	NA
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis006	Cortisone	HMDB02802_RT9.6_add721(dimer)	360.1943	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+PJ000527	VDK 	C15H28N4O6	360.2009	NA	PeJP	NA	NA
+7574	ACE inhibitor from sarcoplasmic beef rump	VLAQYK	360.202	MH2+	Inhouse_peptide	NA	peptide
+1	Sarcoplasmic	VLAQYK	360.203	MH2+	Inhouse_peptide	NA	peptide
+6	Muscle	VLAQYK	360.203	MH2+	Inhouse_peptide	NA	peptide
+C10564	O-Acetylcypholophine	C20H28N2O4	360.2049	NA	KEGG	NA	NA
+MJ045480	17-Oxolupanine; 13-Angeloyloxy 	C20H28N2O4	360.204907	NA	MeJP	NA	NA
+MJ045481	17-Oxolupanine; 13-Tigloyloxy 	C20H28N2O4	360.204907	NA	MeJP	NA	NA
+MJ045482	3-(3-Pyridinyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate 	C20H28N2O4	360.204907	NA	MeJP	NA	NA
+MJ045483	Cypholophine; O-Ac 	C20H28N2O4	360.204907	NA	MeJP	NA	NA
+C15148	9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione	C22H29FO3	360.2101	NA	KEGG	NA	NA
+C15271	9-Fluoro-2alpha-methylpregn-4-ene-3,11,20-trione	C22H29FO3	360.2101	NA	KEGG	NA	NA
+PJ000528	SVR 	C14H28N6O5	360.2121	NA	PeJP	NA	NA
+MJ045484	1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-yl)heptyl]oxy]]phenylethanone 	C19H28N4O3	360.21614	NA	MeJP	NA	NA
+MJ045485	Fluciprazine 	C21H29FN2O2	360.221306	NA	MeJP	NA	NA
+C15450	S 1033	C20H33O4	360.2277	NA	KEGG	NA	NA
+MJ045486	1(9),6,13-Xenicatrien-19,18-olide; 18?-Acetoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045487	1(9),6,13-Xenicatrien-19,18-olide; 4?-Acetoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045488	1-Hydroxy-16-kauren-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045489	1-Hydroxy-8(17),12,14-labdatrien-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045490	10-Hydroxy-11-cyathen-13-one; 10?-form, 15-Acetoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045491	11-Hydroxy-12-spongien-16-one; 11?-form, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045492	11-Hydroxy-16-atisen-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045493	11-Hydroxy-16-kauren-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045494	11-Hydroxy-19-helvifulvanoic acid, 11-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045495	11-Hydroxy-7,15-isopimaradien-18-oic acid; 11?-form, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045496	11-Hydroxy-8(17),13-labdadien-16,15-olide, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045497	12-Hydroxy-16-kauren-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045498	15,16-Epoxy-12-cleistathen-11-one, 17-Acetoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045499	15,16-Epoxy-13,17-spatadiene-5,19-diol, 19-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045500	15,16-Epoxy-3,13(16),14-clerodatriene-7,18-diol, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045501	15,16-Epoxy-5,13(16),14-labdatriene-7,9-diol, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045502	15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045503	15-Beyerene-18,19-diol; ent-form, 19-Carboxylic acid, 18-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045504	15-Cyanopuupehenol; 15-Decyano, 15?-methoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045505	15-Hydroxy-16-kauren-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045506	15-Hydroxy-16-kauren-19-oic acid, 15-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045507	15-Hydroxy-16-kauren-20-oic acid, 15-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045508	15-Hydroxy-3,7,11-cembratrien-18,2-olide, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045509	15-Kaurene-3,17-diol, 17-Carboxylic acid, 3-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045510	15-Kaurene-7,17,18-triol, 17-Aldehyde, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045511	16,19-Dihydroxy-8(17),13-labdadien-15-oic acid, 15?16 Lactone, 19-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045512	16-Hydroxy-8(17),13-labdadien-15,16-olide; 16?-form, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045513	16-Kaurene-3,18-diol, 18-Carboxylic acid, 3-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045514	16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045515	16-Kaurene-6,18-diol, 18-Carboxylic acid, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045516	18-Hydroxy-3,13-clerodadien-16,15-olide, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045517	2,16:7,8-Diepoxy-1(15),3,11-cembratrien-17-ol, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045518	2-(2-Formyl-3-hydroxymethyl-2-cyclopentenyl)-6,10-dimethyl-5,9-undecadienal; Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045519	2-Hydroxy-3,7,11,15-cembratetraen-19-oic acid; 2-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045520	2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid; 2?-form, O-(3-Ethyl-2Z-butenoyl), Me ester 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045521	22-Deacetylyanuthone A 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045522	3,16-Dihydroxy-23,24-dinorcholan-22-oic acid, 22?16 Lactone, 20-hydroxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045523	3,19-Vouacapanediol, 3-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045524	3,4,6-Eudesmanetriol, 6-Benzoyl 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045525	3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045526	3-Hydroxy-18-trachylobanoic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045527	3-Hydroxy-7,15-isopimaradien-18-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045528	3-Hydroxy-8(17),13(16),14-labdatrien-19-oic acid; 3?-form, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045529	3-Hydroxy-8-kempen-6-one, 2?-Acetoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045530	4,12-Dihydroxy-4,10-seco-2,13(15),17-spatatrien-10-one; 12-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045531	4-Acetoxy-4-methoxy-2-(3,6,9-tetradecatrienyl)-2-cyclopenten-1-one 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045532	4-Hydroxycrenulide; 4-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045533	5,19-Vouacapanediol; 5?-form, 19-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045534	5,6-Vouacapanediol, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045535	5-Hydroxy-10-oxo-4,10-seco-2,13(15),17-spatatrien-12-al, 12-Alcohol, 5-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045536	5-Hydroxy-2-tridecyl-4H-1-benzopyran-4-one; 7-Hydroxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045537	6,11-Dihydroxy-16-kauren-15-one, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045538	6-Hydroxy-3,12,14-clerodatrien-20-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045539	6-Hydroxy-8(17),12,14-labdatrien-18-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045540	6-Hydroxy-8(17),12,14-labdatrien-19-oic acid, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045541	7,12,14-Labdatriene-6,17-diol, 17-Carboxylic acid, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045542	7,14-Dihydroxy-16-kauren-15-one, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045543	7,18-Trachylobanediol, 18-Carboxylic acid, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045544	7,8-Epoxy-16-hydroxy-3,12(18)-dolabelladien-13-one, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045545	7,8-Epoxy-6-hydroxy-3,12(18)-dolabelladien-13-one, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045546	7,8:11,12-Diepoxy-1,3,15-cembratrien-14-ol, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045547	7-Hydroxy-13(17),15-cleistanthadien-19-oic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045548	7-Hydroxy-16-kauren-19-oic acid, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045549	7-Hydroxy-2,6-cyclo-9,13-xenicadiene-18,19-dial; Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045550	7-Hydroxy-8(14),15-isopimaradien-18-oic acid; 7?-form, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045551	7-Hydroxy-8(17),12,14-labdatrien-18-oic acid, 7-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045552	8(14),15-Isopimaradiene-1,6,9-triol, 1-Ketone, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045553	8(14),15-Isopimaradiene-12,18-diol; 12?-form, 18-Carboxylic acid, 12-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045554	8(14),15-Isopimaradiene-3,18-diol, 18-Carboxylic acid, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045555	9,13-Dihydroxy-1,3-dolastadien-6-one, 13-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045556	9,13-Epoxy-6-hydroxy-7,14-labdadien-17-al, 6-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045557	9-Hydroxy-2,14-dichotomadiene-19,20-diol, Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045558	9-Hydroxy-3,7,12-dolabellatrien-16-al, 16-Carboxylic acid, 9-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045559	Antibiotic A 88696D 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045560	Antibiotic FT 0554 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045561	Dictyodendrillolide 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045562	Dictyotalide A; 1,2-Didehydro, 19-alcohol, 19-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045563	Dilopholide 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045564	Dilopholone; 3?-Acetoxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045565	Dilophus ether 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045566	Iloprost 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045567	Jaspiferal E; 13E-Isomer, 29-alcohol 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045568	Jaspiferal E; 29-Alcohol 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045569	Jolkinol C; 3?-Alcohol, 14-Ac 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045570	Macrophorin A 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045571	Nafuredin 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045572	Oxoprostol 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045573	Petiodial 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045574	Phomalactone; (4,6S-Dimethyl-2E,4E-dodecadienoyl) 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045575	Rabdohakusin 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045576	Resocortol 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045577	Siccanochromene D; 5-Hydroxy 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045578	Siphonodictyal A 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MJ045579	Solandelactone G 	C22H32O4	360.230059	NA	MeJP	NA	NA
+MetaCyc03190	cannabinerolic acid [CBNRA;]	C22H32O4	360.23006	NA	metacyc	NA	NA
+MetaCyc03191	cannabigerolic acid [CBGA;]	C22H32O4	360.23006	NA	metacyc	NA	NA
+HMDB03689	Neuroprotectin D1	C22H32O4	360.23007	http://www.hmdb.ca/metabolites/HMDB03689	HMDB	NA	NA
+HMDB04038	Resolvin D5	C22H32O4	360.23007	http://www.hmdb.ca/metabolites/HMDB04038	HMDB	NA	NA
+HMDB03689	Neuroprotectin D1	C22H32O4	360.23007	HMDB03689	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04038	Resolvin D5	C22H32O4	360.23007	HMDB04038	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03689	Neuroprotectin D1	C22H32O4	360.230072	NA	HMDB2010	NA	NA
+HMDB04038	Resolvin D5	C22H32O4	360.230072	NA	HMDB2010	NA	NA
+C14939	11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione	C22H32O4	360.2301	NA	KEGG	NA	NA
+C15314	11beta,17beta-Dihydroxyandrost-4-en-3-one 17-propionate	C22H32O4	360.2301	NA	KEGG	NA	NA
+MJ045580	Chimonanthine, N-Me 	C23H28N4	360.231396	NA	MeJP	NA	NA
+C09097	Calycanthidine	C23H28N4	360.2314	NA	KEGG	NA	NA
+PJ000529	TLK 	C16H32N4O5	360.2373	NA	PeJP	NA	NA
+MJ045581	Holarricine 	C21H32N2O3	360.241292	NA	MeJP	NA	NA
+MJ045582	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Trimethylsilyl ether 	C22H36O2Si	360.248456	NA	MeJP	NA	NA
+C15331	17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one propionate	C23H36O3	360.2664	NA	KEGG	NA	NA
+C15417	3beta-Hydroxy-5alpha-pregnan-20-one acetate	C23H36O3	360.2664	NA	KEGG	NA	NA
+MJ045583	17-Methylandrost-5-ene-3,17-diol, 3-Propanoyl 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045584	24-Nor-9,10-secochola-5,7,10(19)-triene-1,3,23-triol 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045585	3,16,17-Phyllocladanetriol, 3-Ketone, 16,17-O-isopropylidene 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045586	3-Hydroxypregnan-16-one, Ac 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045587	8,11,13-Abietatriene-7,11,12-triol, 7-Et, 12-Me ether 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045588	Drostanolone; 17-Propanoyl 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045589	Durbinal B 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045590	Funiculatin A 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045591	Incisterol; 24R-Ethyl 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045592	Propetandrol 	C23H36O3	360.266445	NA	MeJP	NA	NA
+MJ045593	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-10-methyldodecanoyl) 	C22H36N2O2	360.277678	NA	MeJP	NA	NA
+MJ045594	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-11-methyldodecanoyl) 	C22H36N2O2	360.277678	NA	MeJP	NA	NA
+HMDB06246	Tetracosatetraenoic acid n-6	C24H40O2	360.302826	NA	HMDB2010	NA	NA
+HMDB06246	tetracosatetraenoic acid n-6	C24H40O2	360.30283	http://www.hmdb.ca/metabolites/HMDB06246	HMDB	NA	NA
+MJ045595	1-(4-Hydroxyphenyl)-5-octadecanone 	C24H40O2	360.30283	NA	MeJP	NA	NA
+MJ045596	1-Phenyl-1,3-octadecanedione; 1-Alcohol 	C24H40O2	360.30283	NA	MeJP	NA	NA
+MJ045597	1-Phenyl-1,3-octadecanedione; 3-Alcohol 	C24H40O2	360.30283	NA	MeJP	NA	NA
+MJ045598	3-Hydroxy-22,23,24,25,26,27-hexanordammaran-20-one 	C24H40O2	360.30283	NA	MeJP	NA	NA
+MJ045599	5-Heptadecyl-1,3-benzenediol; 10',11'-Didehydro(Z-), mono-Me ether 	C24H40O2	360.30283	NA	MeJP	NA	NA
+MJ045600	Cholan-24-oic acid 	C24H40O2	360.30283	NA	MeJP	NA	NA
+HMDB06246	tetracosatetraenoic acid n-6	C24H40O2	360.30283	HMDB06246	PFEM_hmdb_metabocards_official	NA	NA
+MJ045601	Pregnane-3,20-diamine, N3,N20,N20-Tri-Me 	C24H44N2	360.350449	NA	MeJP	NA	NA
+MJ045602	Pregnane-3,20-diamine, N3,N3,N20-Tri-Me 	C24H44N2	360.350449	NA	MeJP	NA	NA
+MJ045603	Pregnane-3,20-diamine, N3,N20,N20-Tri-Me 	C24H44N2	360.350449	NA	MeJP	NA	NA
+2827	PEP inhibitor	MPPPLPA	360.6847	MH2+	Inhouse_peptide	NA	peptide
+2791	precursor of thyrotropin hormone (1-6)	KRQHPG	360.692	MH2+	Inhouse_peptide	NA	peptide
+MJ045604	Convolutamydines; Convolutamydine A 	C11H9Br2NO3	360.894918	NA	MeJP	NA	NA
+MJ045605	Ascididemin; 2-Bromo 	C18H8BrN3O	360.985074	NA	MeJP	NA	NA
+MetaCyc03192	acifluorfen []	C14H7N1O5F3CL1	360.996485	NA	metacyc	NA	NA
+MJ045606	Polycarpamine C 	C14H19NO2S4	361.029861	NA	MeJP	NA	NA
+C04871	(RS)-2-[4-(3-Chloro-5-(trifluoromethyl-2-pyridyloxy)phenoxy]-	C15H11ClF3NO4	361.0329	NA	KEGG	NA	NA
+C04872	1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-	C22H33NO18R2	361.0329	NA	KEGG	NA	NA
+C12691	Cefacetrile sodium	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12692	Transferred to D01263	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12693	Transferred to D01264	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12694	Transferred to D01265	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12695	Transferred to D01266	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12696	Transferred to D01267	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12697	Transferred to D01268	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12698	Transferred to D01269	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12699	Transferred to D01270	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12700	Transferred to D01271	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12701	Transferred to D01272	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12702	Transferred to D01273	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12703	Transferred to D01274	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12704	Transferred to D01275	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12705	Transferred to D01276	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12706	Transferred to D01277	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12707	Transferred to D01278	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12708	Transferred to D01279	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12709	Transferred to D01280	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12710	Transferred to D01281	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C12711	Transferred to D01282	C13H12N3O6S	361.0345	NA	KEGG	NA	NA
+C08418	Glucoputranjivin	C10H19NO9S2	361.0501	NA	KEGG	NA	NA
+MJ045607	Isopropyl glucosinolate 	C10H19NO9S2	361.050122	NA	MeJP	NA	NA
+C11024	Fenoxaprop ethyl	C18H16ClNO5	361.0717	NA	KEGG	NA	NA
+MJ045608	Sparsomycin 	C13H19N3O5S2	361.076612	NA	MeJP	NA	NA
+MJ045609	Polycarpamine A 	C15H23NO3S3	361.084005	NA	MeJP	NA	NA
+PJ000530	CCH 	C12H19N5O4S2	361.0879	NA	PeJP	NA	NA
+MJ045610	Fostedil 	C18H20NO3PS	361.09015	NA	MeJP	NA	NA
+MJ045611	Decarine; Ac 	C21H15NO5	361.095022	NA	MeJP	NA	NA
+MJ045612	Chelirubine 	C21H16NO5(+)	361.095022	NA	MeJP	NA	NA
+MJ045613	Bezafibrate 	C19H20ClNO4	361.108085	NA	MeJP	NA	NA
+MJ045614	Metampicillin 	C17H19N3O4S	361.109626	NA	MeJP	NA	NA
+MJ045615	1,2,3,4,5,6-Hexahydroxyacridone; O2,O3,O4,O5,N-Penta-Me 	C18H19NO7	361.116151	NA	MeJP	NA	NA
+MJ045616	1-(4-Hydroxyphenyl)-3H-benzo[a]pyrrolo[2,3-c]phenazine 	C24H15N3O	361.121512	NA	MeJP	NA	NA
+PJ000531	NND 	C12H19N5O8	361.1234	NA	PeJP	NA	NA
+PJ000532	PDM 	C14H23N3O6S	361.1308	NA	PeJP	NA	NA
+MJ045617	Bisacodyl 	C22H19NO4	361.131408	NA	MeJP	NA	NA
+CJpos0773	Theobromine [(2M+H)]+ (13C)	C1313CH17N8O4	361.132275	C18rt(min)=4.79 Pos identified a,b,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0773	Theobromine [(2M+H)]+ (13C)	C1313CH17N8O4	361.132275	C18rt(min)=4.79 Pos identified a,b,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ045618	Rilapine 	C22H20ClN3	361.134575	NA	MeJP	NA	NA
+MJ045619	2-(Phenylthio)ethyl 1,4-dihydro-2,4,6-trimethylpyridine-3-carboxylate-5-carboxylic acid, Me ester 	C19H23NO4S	361.134778	NA	MeJP	NA	NA
+MJ045620	Benoxathian 	C19H23NO4S	361.134778	NA	MeJP	NA	NA
+MJ045621	Simmondsin; 4-O-De-Me 	C15H23NO9	361.137281	NA	MeJP	NA	NA
+MJ045622	Emepronium(1+), Bromide 	C20H28BrN	361.140512	NA	MeJP	NA	NA
+MJ045623	Euxylophorine 	C21H19N3O3	361.142641	NA	MeJP	NA	NA
+MJ045624	Evodiamine, 7?-Methoxycarbonyl 	C21H19N3O3	361.142641	NA	MeJP	NA	NA
+MJ045625	Lyalidine 	C21H19N3O3	361.142641	NA	MeJP	NA	NA
+MJ045626	Ofloxacin 	C18H20FN3O4	361.143784	NA	MeJP	NA	NA
+HMDB01929	Levofloxacin	C18H20FN3O4	361.143799	NA	HMDB2010	NA	NA
+C07321	Ofloxacin	C18H20FN3O4	361.1438	NA	KEGG	NA	NA
+C07660	Levofloxacin	C18H20FN3O4	361.1438	NA	KEGG	NA	NA
+PJ000533	VDE 	C14H23N3O8	361.1485	NA	PeJP	NA	NA
+C08514	3-Acetylnerbowdine	C19H23NO6	361.1525	NA	KEGG	NA	NA
+MJ045627	Butocrolol 	C19H23NO6	361.152537	NA	MeJP	NA	NA
+MJ045628	Crinafolidine 	C19H23NO6	361.152537	NA	MeJP	NA	NA
+MJ045629	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(2-Hydroxy-3-methoxy-3-methylbutyl), 4,8-di-Me ether 	C19H23NO6	361.152537	NA	MeJP	NA	NA
+MJ045630	Galwesine 	C19H23NO6	361.152537	NA	MeJP	NA	NA
+MJ045631	Nerbowdine; O3-Ac 	C19H23NO6	361.152537	NA	MeJP	NA	NA
+CJpos0774	Creatinine (and isomer) [(3M+Na)]+	C12H21N9NaO3	361.158175	C18rt(min)=0.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0774	Creatinine (and isomer) [(3M+Na)]+	C12H21N9NaO3	361.158175	C18rt(min)=0.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ000534	SQQ 	C13H23N5O7	361.1598	NA	PeJP	NA	NA
+C06830	Anisotropine methylbromide	C17H32NO2	361.1616	NA	KEGG	NA	NA
+MJ045632	Octatropine methylbromide 	C17H32BrNO2	361.161641	NA	MeJP	NA	NA
+CJpos0775	Hydroxyoctanoylcarnitine [(M+H)+(NaCl)]+	C15H30ClNNaO5	361.162675	C18rt(min)=6.6 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0775	Hydroxyoctanoylcarnitine [(M+H)+(NaCl)]+	C15H30ClNNaO5	361.162675	C18rt(min)=6.6 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ045633	?-Cyclopentyl-4-(2-quinolinylmethoxy)benzeneacetic acid 	C23H23NO3	361.167793	NA	MeJP	NA	NA
+MJ045634	Buxifoliadine D 	C23H23NO3	361.167793	NA	MeJP	NA	NA
+MJ045635	Clauszoline A 	C23H23NO3	361.167793	NA	MeJP	NA	NA
+MJ045636	Pyrayaquinone C 	C23H23NO3	361.167793	NA	MeJP	NA	NA
+MJ045637	Severifoline 	C23H23NO3	361.167793	NA	MeJP	NA	NA
+MJ045638	N-[[[1-[4-(Aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-?-alanine; Et ester 	C17H23N5O4	361.175004	NA	MeJP	NA	NA
+MJ045639	Isamfazone 	C22H23N3O2	361.179026	NA	MeJP	NA	NA
+MJ045640	Serazapine 	C22H23N3O2	361.179026	NA	MeJP	NA	NA
+C12886	Dialicor	C21H27NO2	361.1809	NA	KEGG	NA	NA
+C12887	Transferred to D01441	C21H27NO2	361.1809	NA	KEGG	NA	NA
+MJ045641	Antibiotic BE 16627; Antibiotic BE 16627A 	C15H27N3O7	361.1849	NA	MeJP	NA	NA
+PJ000535	TLE 	C15H27N3O7	361.1849	NA	PeJP	NA	NA
+MJ045642	Tiopropamine 	C24H27NS	361.18642	NA	MeJP	NA	NA
+C10361	Phalaenopsine T	C20H27NO5	361.1889	NA	KEGG	NA	NA
+MJ045643	8-Methyl-8-azabicyclo[3.2.1]octan-3-ol, O-(3,4,5-Trimethoxycinnamoyl) 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045644	Buquinolate 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045645	Cephalofortuneine 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045646	Chromonar 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045647	Erythratidine; 11-Methoxy 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045648	Hernandolinol 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045649	Phalaenopsines 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+MJ045650	Robustamine; (6S)-N-Oxide 	C20H27NO5	361.188922	NA	MeJP	NA	NA
+PJ000536	SQK 	C14H27N5O6	361.1961	NA	PeJP	NA	NA
+PJ000537	GGTK 	C14H27N5O6	361.1962	NA	PeJP	NA	NA
+PJ000538	PVF 	C19H27N3O4	361.2002	NA	PeJP	NA	NA
+PJ000539	VLM 	C16H31N3O4S	361.2035	NA	PeJP	NA	NA
+MJ045651	10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxylic acid; Tropine ester 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045652	2-Cyano-3,3-diphenyl-2-propenoic acid; 2-Ethylhexyl ester 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045653	Currayanine; 12-Methoxy 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045654	Levophenacylmorphan 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045655	Mahanimbicine, 8-Methoxy 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045656	Murrayamine B 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045657	Murrayamine F 	C24H27NO2	361.204179	NA	MeJP	NA	NA
+MJ045658	Phenylalaninylarginal; N2-Propanoyl 	C18H27N5O3	361.211389	NA	MeJP	NA	NA
+MJ045659	Itrocainide 	C23H27N3O	361.215412	NA	MeJP	NA	NA
+MJ045660	Prenoxdiazine 	C23H27N3O	361.215412	NA	MeJP	NA	NA
+MJ045661	Furethidine 	C21H31NO4	361.225308	NA	MeJP	NA	NA
+MJ045662	Gomandonine 	C21H31NO4	361.225308	NA	MeJP	NA	NA
+MJ045663	Heterophylline 	C21H31NO4	361.225308	NA	MeJP	NA	NA
+MJ045664	Pentagydine; 16-Demethoxy 	C21H31NO4	361.225308	NA	MeJP	NA	NA
+MJ045665	Pazelliptine 	C22H27N5	361.226645	NA	MeJP	NA	NA
+PJ000540	SKK 	C15H31N5O5	361.2325	NA	PeJP	NA	NA
+MJ045666	Negamycin, 6-N-Leucyl 	C15H31N5O5	361.232519	NA	MeJP	NA	NA
+MJ045667	Butaclamol 	C25H31NO	361.240564	NA	MeJP	NA	NA
+MJ045668	Broussonetinine A; 4-Epimer, 1'R-hydroxy 	C18H35NO6	361.246437	NA	MeJP	NA	NA
+HMDB05096	N-Arachidonoyl glycine	C22H35NO3	361.261688	NA	HMDB2010	NA	NA
+MJ045669	Alkaloid GB 15 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045670	Atidine; 7?-Alcohol 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045671	Cardiopetaline; 1-Epimer, 1-Me ether 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045672	Dictysine; N-De-Me, N-Et 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045673	Karakoline; 8-Deoxy 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045674	N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide, 3-Methoxy 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045675	N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide, Me ether, 3-hydroxy 	C22H35NO3	361.261693	NA	MeJP	NA	NA
+MJ045676	20-Aminopregnan-3-ol, N-Ac 	C23H39NO2	361.298079	NA	MeJP	NA	NA
+MJ045677	N-(2-Hydroxy-1-methylethyl)-5,8,11,14-eicosatetraenamide 	C23H39NO2	361.298079	NA	MeJP	NA	NA
+MJ045678	2,4,14-Eicosatrienoic acid, 2-Methylpropylamide 	C24H43NO	361.334465	NA	MeJP	NA	NA
+MJ045679	2,4,8-Eicosatrienoic acid, 2-Methylpropylamide 	C24H43NO	361.334465	NA	MeJP	NA	NA
+MJ045680	3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Nonadecyl-1H-pyrrole-2-carboxaldehyde 	C24H43NO	361.334465	NA	MeJP	NA	NA
+MJ045681	5-Alkyl-1H-pyrrole-2-carboxaldehydes; 5-Nonadecyl-1H-pyrrole-2-carboxaldehyde 	C24H43NO	361.334465	NA	MeJP	NA	NA
+MJ045682	Pyrrolidine; N-(2,11-Eicosadienoyl)(E,E-) 	C24H43NO	361.334465	NA	MeJP	NA	NA
+MJ045683	Pyrrolidine; N-(3,6-Eicosadienoyl) 	C24H43NO	361.334465	NA	MeJP	NA	NA
+MJ045684	Trichonine 	C24H43NO	361.334465	NA	MeJP	NA	NA
+C15436	Didecyldimethylammonium chloride	C22H48N	361.3475	NA	KEGG	NA	NA
+MJ045685	Simaldrate 	Al2Mg2O11Si3	361.808001	NA	MeJP	NA	NA
+C07552	Aldrin	C12H8Cl6	361.8757	NA	KEGG	NA	NA
+MJ045686	1,4-Dibromo-5-chloro-2-(2-chloroethenyl)-1,5-dimethylcyclohexane 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045687	1,6-Dibromo-2,7-dichloro-3,7-dimethyl-1,3-octadiene 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045688	1,8-Dibromo-2,6-dichloro-3-ochtodene 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045689	2,4-Dibromo-1-chloro-5-(2-chloroethenyl)-1,5-dimethylcyclohexane 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045690	2-Bromo-1-(2-bromoethenyl)-4,5-dichloro-1,5-dimethylcyclohexane 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045691	4,8-Dibromo-3,7-dichloro-3,7-dimethyl-1,5-octadiene 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045692	6-Bromo-3-(bromomethyl)-2,3-dichloro-7-methyl-1,6-octadiene 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045693	Ochtodene 	C10H14Br2Cl2	361.883931	NA	MeJP	NA	NA
+MJ045694	Tetrakis[?-(acetato-O:O')]dicopper 	C8H12Cu2O8	361.912419	NA	MeJP	NA	NA
+MJ045695	2-Hydroxy-4H-1,3,2-benzodioxabismin-4-one 	C7H5BiO4	361.999166	NA	MeJP	NA	NA
+C07870	Bismuth subsalicylate	C7H5BiO4	361.9992	NA	KEGG	NA	NA
+MJ045696	Aliconazole 	C18H13Cl3N2	362.014431	NA	MeJP	NA	NA
+MJ045697	Coumafos 	C14H16ClO5PS	362.014458	NA	MeJP	NA	NA
+C11025	Coumaphos	C14H16ClO5PS	362.0145	NA	KEGG	NA	NA
+MJ045698	5-Chloro-1,6-dihydroxy-8-methoxy-3-methylanthraquinone-2-carboxylic acid 	C17H11ClO7	362.01933	NA	MeJP	NA	NA
+MJ045699	Poiteol 	C15H20BrClO3	362.028434	NA	MeJP	NA	NA
+MJ045700	Palmarumycin C15; 3,6,7-Triketone 	C20H10O7	362.042652	NA	MeJP	NA	NA
+MJ045701	Preussomerin A; 1,1'-Diketone 	C20H10O7	362.042652	NA	MeJP	NA	NA
+MJ045702	Quinaphthin 	C20H10O7	362.042652	NA	MeJP	NA	NA
+MJ045703	Spiroxin D; 1-Ketone 	C20H10O7	362.042652	NA	MeJP	NA	NA
+MJ045704	3,6-Dichloro-2-[4-methyl-2-(1-methylethoxy)phenyl]-4H-1-benzopyran-4-one 	C19H16Cl2O3	362.047649	NA	MeJP	NA	NA
+MJ045705	Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl) 	C13H14O12	362.048525	NA	MeJP	NA	NA
+MJ045706	1,3-Dihydro-1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-benzimidazol-2-one 	C15H8F6N2O2	362.048996	NA	MeJP	NA	NA
+C13833	NS 1619	C15H8F6N2O2	362.049	NA	KEGG	NA	NA
+MJ045707	Nalgiolaxin 	C18H15ClO6	362.055715	NA	MeJP	NA	NA
+MJ045708	Pannarin 	C18H15ClO6	362.055715	NA	MeJP	NA	NA
+MJ045709	Phthalylsulphacetamide 	C16H14N2O6S	362.057256	NA	MeJP	NA	NA
+MJ045710	Mexazolam 	C18H16Cl2N2O2	362.058883	NA	MeJP	NA	NA
+MJ045711	Sulfaclorazole 	C16H15ClN4O2S	362.060424	NA	MeJP	NA	NA
+FL5FEGNS0001	5,7,3',4',5'-Pentahydroxy-3,6-dimethoxyflavone	C17H14O9	362.06378	101021-26-5	knapsack	NA	NA
+FL5FEGNS0002	3,5,7,3',5'-Pentahydroxy-6,4'-dimethoxyflavone	C17H14O9	362.06378	71328-59-1	knapsack	NA	NA
+FL5FFGNS0008	5,8,3',4',5'-Pentahydroxy-3,7-dimethoxyflavone;5,8-Dihydroxy-3,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C17H14O9	362.06378	220691-23-6	knapsack	NA	NA
+FL5FGCNS0002	5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone	C17H14O9	362.06378	96887-22-8	knapsack	NA	NA
+FL5FGCNS0003	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone	C17H14O9	362.06378	96887-23-9	knapsack	NA	NA
+MJ045712	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,6-Di-Me ether 	C17H14O9	362.063782	NA	MeJP	NA	NA
+MJ045713	3,3',4',5,5',6,7-Heptahydroxyflavone; 4',6-Di-Me ether 	C17H14O9	362.063782	NA	MeJP	NA	NA
+MJ045714	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,6-Di-Me ether 	C17H14O9	362.063782	NA	MeJP	NA	NA
+MJ045715	3,3',4',5,6,7,8-Heptahydroxyflavone; 6,8-Di-Me ether 	C17H14O9	362.063782	NA	MeJP	NA	NA
+MJ045716	Pinnatificin 	C16H24BrClO2	362.06482	NA	MeJP	NA	NA
+MJ045717	Fosphenytoin 	C16H15N2O6P	362.066772	NA	MeJP	NA	NA
+C07840	Fosphenytoin	C16H15N2O6P	362.0668	NA	KEGG	NA	NA
+MJ045718	Broparestrol 	C22H19Br	362.067013	NA	MeJP	NA	NA
+MJ045719	Canaliculatin 	C21H14O6	362.079038	NA	MeJP	NA	NA
+MJ045720	Halenaquinol; 12,15-Quinone, 14-methoxy 	C21H14O6	362.079038	NA	MeJP	NA	NA
+MJ045721	Proflazepam 	C18H16ClFN2O3	362.083348	NA	MeJP	NA	NA
+MJ045722	altro-2-Heptulose, 7-(3,4,5-Trihydroxybenzoyl) 	C14H18O11	362.084911	NA	MeJP	NA	NA
+MJ045723	18-Bromo-9,15,17-octadecatriene-5,7-diynoic acid, Me ester 	C19H23BrO2	362.088142	NA	MeJP	NA	NA
+MJ045724	Piretanide 	C17H18N2O5S	362.093642	NA	MeJP	NA	NA
+FL2FEGNS0003	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone	C18H18O8	362.10016	310888-07-4	knapsack	NA	NA
+MJ045725	1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5,7-Penta-Me ether 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045726	1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,3,4,6-Penta-Me ether 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045727	3',4',5,5',6,7-Hexahydroxyflavanone, 3',4',6-Tri-Me ether 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045728	3',4',5,6,7,8-Hexahydroxyflavanone; 6,7,8-Tri-Me ether 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045729	3,8-Dihydroxy-4-(2,3-dihydroxy-1-hydroxymethylpropyl)-1-methoxyxanthone 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045730	3-(3,4-Dihydroxybenzyl)-5,6,7,8-tetrahydroxy-4-chromanone; 7,8-Di-Me ether 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045731	Arizonin C3; 4,8-Di-O-de-Me 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045732	Arizonin C3; 4,9-Di-O-de-Me 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045733	Crotepoxide 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045734	Decarboxyhypothamnolic acid 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045735	Erythrostominone; 4-Me ether 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045736	Flagranone B 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045737	Hypoalectorialic acid 	C18H18O8	362.100167	NA	MeJP	NA	NA
+MJ045738	Lepraric acid 	C18H18O8	362.100167	NA	MeJP	NA	NA
+C06327	Chelirubine	C21H16NO5	362.1028	NA	KEGG	NA	NA
+MJ045739	Chelirubine 	C21H16NO5	362.102847	NA	MeJP	NA	NA
+MJ045740	Picafibrate 	C18H19ClN2O4	362.103334	NA	MeJP	NA	NA
+PJ000541	NDD 	C12H18N4O9	362.1074	NA	PeJP	NA	NA
+MJ045741	Rimazolium(1+), Methylsulfate 	C14H22N2O7S	362.114771	NA	MeJP	NA	NA
+FL2FA9NC0001	Isochamanetin	C22H18O5	362.11542	58777-17-6	knapsack	NA	NA
+FL2FA9NC0002	Chamanetin	C22H18O5	362.11542	58801-43-7	knapsack	NA	NA
+MJ045742	9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzoyl)phenanthrene; 4-Me ether 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045743	Antibiotic SS 43405E 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045744	Apollinine 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045745	Chamanetin 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045746	Disparfuran B 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045747	Howiinin A 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045748	Isochamanetin 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045749	Isodisparfuran A 	C22H18O5	362.115423	NA	MeJP	NA	NA
+MJ045750	Antirrhinoside 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045751	Catalpol 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045752	Crescentoside C; 6?,7?-Epoxide 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045753	Decaloside; 7?,8?-Epoxide 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045754	Harpagide; 3'-Ketone 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045755	Monomelittoside 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045756	Procumboside 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045757	Scabrogenin, 1-O-?-D-Glucopyranoside 	C15H22O10	362.121296	NA	MeJP	NA	NA
+MJ045758	Virginioside 	C15H22O10	362.121296	NA	MeJP	NA	NA
+C09768	Antirrhinoside	C15H22O10	362.1213	NA	KEGG	NA	NA
+C09773	Catalpol	C15H22O10	362.1213	NA	KEGG	NA	NA
+PJ000542	GSPC 	C13H22N4O6S	362.126	NA	PeJP	NA	NA
+MJ045759	Zanthobisquinolone 	C21H18N2O4	362.126657	NA	MeJP	NA	NA
+MJ045760	Besunide 	C18H22N2O4S	362.130027	NA	MeJP	NA	NA
+FLIC4LNS0002	Machaerol B;6,2'-Dihydroxy-7,8,3',4'-tetramethoxyisoflavan	C19H22O7	362.13655	51798-42-6	knapsack	NA	NA
+MJ045761	1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045762	1,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, 1-(2-Methylpropanoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045763	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Ketone, di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045764	1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-Ketone, 8,15-di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045765	1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 2-Ketone, 8,15-di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045766	1,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045767	2',3',4',5',7,8-Hexahydroxyflavan, 3',4',5',7-Tetra-Me ether 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045768	2',3',4',5',7,8-Hexahydroxyisoflavan, 2',4',5',8-Tetra Me ether 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045769	2',3',4',6,7,8-Hexahydroxyisoflavan; 3',4',7,8-Tetra-Me ether 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045770	2,15:4,5-Diepoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045771	2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 4?,15-Epoxide, 8-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045772	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(2,3-Dihydroxy-2-methylbutanoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045773	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Ketone, 8-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045774	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045775	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045776	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(Methylpropanoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045777	3,11-Tridecadiene-5,7,9-triyne-1,2-diol, 2-O-?-D-Glucopyranoside 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045778	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3-Me ether 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045779	3,3',4,4',7,8-Hexahydroxyflavan, 3',4',7,8-Tetra-Me ether 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045780	3,3',4,4',7,8-Hexahydroxyflavan, 3',4,7,8-Tetra-Me ether 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045781	4,15-Epoxy-1,3,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045782	4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl)(R-) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045783	4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl)(S-) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045784	4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045785	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-(2-Methylpropanoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045786	4,5:7,10-Diepoxy-8-hydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045787	4,8,13-Trihydroxy-1,1(10),5,7(11)-germacratetraen-12,6-olide, 8,13-Di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045788	4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8,9-Di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045789	5,8-Dihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, 8-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045790	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045791	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 9-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045792	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1R,2-Epoxide, 6-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045793	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, Di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045794	8,12:15,16-Diepoxy-2-hydroxy-19-nor-13(16),14-clerodadien-17,6-olid-18-oic acid 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045795	8,13-Dihydroxy-1,1(10),4,7(11)-germacratetraen-12,6-olide, 4?,5?-Epoxide, di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045796	8,13-Dihydroxy-1-oxo-4,7(11),10(14)-germacratrien-12,6-olide, 8,13-Di-Ac 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045797	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(2-methyl-2-propenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045798	Antibiotic LL-Z1640-2 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045799	Bis(2-hydroxy-4,6-dimethoxy-3-methylphenyl)methanone 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045800	Eremantholide C; 15-Hydroxy 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045801	Excavatin D, 2'?,3'?-Dihydroxy, 2',3',6',7'-tetrahydro 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045802	Gibberellin A20; 1?-Hydroxy, 2?,3?-epoxide 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045803	Gibberellin A21 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045804	Gibberellin A33 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045805	Gibberellin A3; 12?-Hydroxy 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045806	Gibberellin A49; 12-Ketone 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045807	Ligstral 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045808	Nagilactone C 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045809	Ovalifolienal; 8-Oxo 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045810	Phomosine B 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045811	Purdilactone C 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045812	Samaderine C; 2-Ketone 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045813	Scorpiolide 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045814	Shinjulactone B 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045815	Verafinin C 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045816	Vernolepin, 11?,13-Dihydro, 2-hydroxymethyl-2-propenoyl 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MJ045817	Zinaflorin IV; O6-Deacyl, O6-(2-methylpropenoyl) 	C19H22O7	362.136553	NA	MeJP	NA	NA
+MetaCyc03193	GA8-catabolite [gibberellin A8-catabolite;gibberellin A8-catabolite;GA8-catabolite;]	C19H22O7	362.136553	NA	metacyc	NA	NA
+C09138	Nagilactone C	C19H22O7	362.1366	NA	KEGG	NA	NA
+C09583	Vernolide	C19H22O7	362.1366	NA	KEGG	NA	NA
+C11870	Gibberellin A8-catabolite	C19H22O7	362.1366	NA	KEGG	NA	NA
+MJ045818	Marbofloxacin 	C17H19FN4O4	362.139033	NA	MeJP	NA	NA
+MJ045819	Pandangolide 3 	C16H26O7S	362.139923	NA	MeJP	NA	NA
+MJ045820	Clavamycin B 	C13H22N4O8	362.143763	NA	MeJP	NA	NA
+MJ045821	Clavamycin C 	C13H22N4O8	362.143763	NA	MeJP	NA	NA
+C17362	Clavamycin B	C13H22N4O8	362.1438	NA	KEGG	NA	NA
+C17363	Clavamycin C	C13H22N4O8	362.1438	NA	KEGG	NA	NA
+PJ000543	SQE 	C13H22N4O8	362.1438	NA	PeJP	NA	NA
+7490	ACE inhibitor	GTW	362.147	antioxidative	Inhouse_peptide	NA	peptide
+MJ045822	1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 2,4-di-Me ether 	C23H22O4	362.151809	NA	MeJP	NA	NA
+MJ045823	6-Benzoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran 	C23H22O4	362.151809	NA	MeJP	NA	NA
+MJ045824	Hexatroxanone 	C23H22O4	362.151809	NA	MeJP	NA	NA
+MJ045825	5,8-Dihydroxy-2,6-dimethyl-2,6-octadienoic acid, ?-D-Glucopyranosyl ester 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045826	Amplexin; 2-O-?-D-Glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045827	Gelsemiol; 1-O-?-D-Glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045828	Gelsemiol; 3-O-?-D-Glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045829	Gibboside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045830	Lamiol; 5-Deoxy 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045831	Lamiol; 8-Deoxy 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045832	Patriscabrol; 4-Epimer, 7-O-?-D-glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045833	Patriscabrol; 4-Epimer, 8-O-?-D-glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045834	Patriscabrol; 7-O-?-D-Glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045835	Patriscabrol; 8-O-?-D-Glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045836	Suspensoside A 	C16H26O9	362.157682	NA	MeJP	NA	NA
+MJ045837	Villosol; 8-O-?-D-Glucopyranoside 	C16H26O9	362.157682	NA	MeJP	NA	NA
+PJ000544	GTW 	C17H22N4O5	362.159	NA	PeJP	NA	NA
+PJ000545	VNM 	C14H26N4O5S	362.1624	NA	PeJP	NA	NA
+MJ045838	Chlormadinone 	C21H27ClO3	362.164872	NA	MeJP	NA	NA
+MJ045839	Cismadinone 	C21H27ClO3	362.164872	NA	MeJP	NA	NA
+MJ045840	Puupehenol; 21-Chloro 	C21H27ClO3	362.164872	NA	MeJP	NA	NA
+MJ045841	Puupehenone; 21-Chloro 	C21H27ClO3	362.164872	NA	MeJP	NA	NA
+C11709	DU 122290	C19H26N2O3S	362.1664	NA	KEGG	NA	NA
+MJ045842	Thyroliberin 	C16H22N6O4	362.170253	NA	MeJP	NA	NA
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	362.170258	NA	HMDB2010	NA	NA
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	362.17026	http://www.hmdb.ca/metabolites/HMDB05763	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	362.17026	http://www.hmdb.ca/metabolites/HMDB05763	HMDB	NA	NA
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	362.17026	NA  ;SYN:(S)-2,4-diamino-Butanoic acid; L-2,4-diamino-Butyric acid; (S)-2,4-Diaminobutyric acid; L-2,4-Diamino-n-butyric acid; L-2,4-Diaminobutanoic acid; L-2,4-Diaminobutyric acid; L-DABA; L-alpha,gamma-Diaminobutyric acid; (S)-2,4-diamino-Butanoate; L-2,4-DiaminobutanoateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	362.17026	http://www.hmdb.ca/metabolites/HMDB05763	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05763	Thyrotropin-releasing factor	C16H22N6O4	362.17026	HMDB05763	PFEM_hmdb_metabocards_official	NA	NA
+C03958	Thyrotropin-releasing hormone	C16H22N6O4	362.1703	NA	KEGG	NA	NA
+C03959	[DNA-directed RNA polymerase]	C16H22N6O4	362.1703	NA	KEGG	NA	NA
+C03960	alpha-xylo-1,6-beta-D-Glucose	C16H22N6O4	362.1703	NA	KEGG	NA	NA
+C02034	Gibberellin A19	C20H26O6	362.1729	NA	KEGG	NA	NA
+C09090	Enmein	C20H26O6	362.1729	NA	KEGG	NA	NA
+C09184	Shikodonin	C20H26O6	362.1729	NA	KEGG	NA	NA
+C09395	Desacetyleupaserrin	C20H26O6	362.1729	NA	KEGG	NA	NA
+C09442	Eupatoriopicrin	C20H26O6	362.1729	NA	KEGG	NA	NA
+C09451	Fastigilin B	C20H26O6	362.1729	NA	KEGG	NA	NA
+C09474	Heliangin	C20H26O6	362.1729	NA	KEGG	NA	NA
+C11862	Gibberellin A36	C20H26O6	362.1729	NA	KEGG	NA	NA
+C18167	Secoisolariciresinol	C20H26O6	362.1729	NA	KEGG	NA	NA
+C18168	Diacylglycerylhomoserine	C9H13NO7R2	362.1729	NA	KEGG	NA	NA
+C18169	Diacylglyceryl-N,N,N-trimethylhomoserine	C12H19NO7R2	362.1729	NA	KEGG	NA	NA
+MJ045843	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045844	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045845	1,10-Epoxy-5,8-dihydroxy-4(15),11(13)-germacradien-12,6-olide, Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045846	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045847	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045848	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045849	1,10-Epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045850	1,11-Dihydroxy-2-oxo-3-eudesmen-12,6-olide, 11-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045851	1,11-Dihydroxy-2-oxo-3-eudesmen-12,6-olide, 11-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045852	1,11-Dihydroxy-3-oxo-4-eudesmen-12,6-olide, 11-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045853	1,11-Epidioxy-11,19-dihydroxy-8,12-abietadiene-3,14-dione 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045854	1,2-Bis(3,4,5-trihydroxyphenyl)ethane; Hexa-Me ether 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045855	1,2:3,4-Diepoxy-11-hydroxy-12,6-eudesmanolide, 11-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045856	1,2:3,4-Diepoxy-11-hydroxy-12,6-eudesmanolide, 11-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045857	1,3,8-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045858	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045859	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045860	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045861	1,3,8-Trihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045862	1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045863	1,3-Dihydroxy-2-oxo-3,11(13)-eudesmadien-12,8-olide, 3-O-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045864	1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045865	1,6,8-Trihydroxy-7(11),9-eremophiladien-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045866	1,7-Dihydroxy-3,13-clerodadiene-18,19:16,15-diolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045867	1,8,13-Trihydroxy-4(15),7(11)-eudesmadien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045868	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045869	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045870	1,8,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045871	1,8,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045872	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045873	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl)(Z-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045874	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045875	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045876	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045877	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045878	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045879	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045880	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045881	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045882	1,9-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 3?,4?-Epoxide, 1-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045883	11,12,14-Trihydroxy-7-oxo-3,4-seco-4(18),8,11,13-abietatetraen-3-oic acid 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045884	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; 16-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045885	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 16-Hydroxy (15R-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045886	11,20-Epoxy-7,11,14-trihydroxy-15-oxo-16-kauren-18-al 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045887	12,16-Dihydroxy-3,13-clerodadiene-15,16:18,6-diolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045888	13-Hydroxy-7-oxo-8-labdene-15,16:19,6-diolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045889	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8,17-Didehydro 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045890	15,16-Epoxy-3,4-dihydroxy-7-oxo-13(16),14-clerodadien-20,12-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045891	15,16-Epoxy-6,18,19-trihydroxy-3,13(16),14-clerodatrien-20,12-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045892	15,16:18,19-Diepoxy-6,18-dihydroxy-13(16),14-clerodadien-20,12-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045893	16-(1-Methyl-1-propenyl)eremantholanolide, 4?,5-Dihydro 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045894	17(15?16),19(4?3)-Bis(abeo)-6,7,16-trihydroxyroyleanone 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045895	17-Hydroxy-2,3-seco-13(16),14-spongiadien-2,3-olid-18-oic acid 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045896	19,20-Epoxy-7,12,19-trihydroxy-8,12-abietadiene-11,14-dione 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045897	2,12-Dihydroxy-3,13-clerodadiene-15,16:18,19-diolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045898	2,3,14-Trihydroxyvetispiranolide, 14-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045899	2,3,8-Trihydroxy-4(15),10(14),11(13)guaiatrien-12,6-olide, 2-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045900	2,3-Epoxy-4,6-dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045901	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 6-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045902	2,7-Dihydroxy-3,13-clerodadiene-16,15:18,19-diolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045903	2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045904	2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045905	2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045906	2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045907	2,8,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 2-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045908	2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045909	2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045910	2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045911	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045912	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045913	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3S-Hydroxy-2-methylenebutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045914	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Me ether, 8-(2-methylpropanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045915	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045916	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione; 3?-enol-form 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045917	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045918	3,20:14,16-Diepoxy-3,15-dihydroxy-7-pimaren-19,6-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045919	3,3',4,4',5,5'-Hexahydroxylignan, 3,3'-Di-Me ether 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045920	3,3',4,4',9,9'-Hexahydroxylignan, 3',4'-Di-Me ether 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045921	3,4,9-Trihydroxy-1(10)-guaien-12,8-olide, 9-Ketone, 3-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045922	3,4,9-Trihydroxy-1(10)-guaien-12,8-olide, 9-Ketone, 3-tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045923	3,4-Dihydroxy-7(11),8-eudesmadien-12,8-olide, 3-O-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045924	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 1-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045925	3,4:15,16-Diepoxy-6,10-dihydroxy-13(16),14-clerodadien-20,12-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045926	3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide, 18-Ketone (lactone) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045927	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14-Epoxide, 3-(2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045928	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14?-Epoxide, 3-O-(2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045929	3,5-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, 10?,14?-Epoxide, 3-O-(3-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045930	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 3-Ketone, 6-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045931	3,6:6,11-Diepoxy-3,12-dihydroxy-4,7,15-cembratrien-20,10-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045932	3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Ketone, 8-(2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045933	3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045934	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045935	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045936	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Aldehyde, 8-(2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045937	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045938	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045939	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045940	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045941	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045942	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045943	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045944	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045945	4,11-Dihydroxy-1-oxo-2-eudesmen-12,6-olide, 11-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045946	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045947	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045948	4,18:15,16-Diepoxy-6,12-dihydroxy-13(16),14-clerodadien-20,19-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045949	4,5-Epoxy-2,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045950	4,5-Epoxy-2,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045951	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045952	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045953	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045954	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045955	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045956	4,6-Dihydroxyfuranoeremophilan-9-one, 6-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045957	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-(3-methyl-2-butenyl), 8-O-(4-hydroxy-3-methylbutyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045958	5,8-Epoxy-3,6,10-trioxo-18-norcembra-12,15-dien-20-oic acid; Me ester 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045959	6,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045960	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Hydroxymethyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045961	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045962	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045963	6,7,11,12,16-Pentahydroxy-8,11,13-abietatrien-20-oic acid, 20?7 Lactone 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045964	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 8-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045965	6,8:15,16-Diepoxy-12,18-dihydroxy-13(16),14-clerodadien-20,19-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045966	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(3-methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045967	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045968	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(3-methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045969	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045970	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045971	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(3-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045972	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, O-(3-Hydroxy-2-methylenebutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045973	6-Hydroxysecomacrolide, 6-O-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045974	6-Hydroxysecomacrolide, 6-O-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045975	6-Hydroxysecomacrolide, 8-Epimer, 6-O-angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045976	6-Hydroxysecomacrolide, 8-Epimer, 6-O-tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045977	6-Methoxymarmin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045978	7,11,12,16-Tetrahydroxy-8,11,13-abietatrien-20,6-olide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045979	7,11,12-Trihydroxy-6-oxo-8,11,13-abietatrien-20-oic acid 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045980	7,12,14-Trihydroxy-11,15-dioxo-16-kauren-18-al 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045981	7,12-Dihydroxy-11,14-dioxo-8,12-abietadien-18-oic acid; 7?-form 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045982	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045983	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045984	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045985	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045986	7,8,9-Trihydroxy-1,3-elemadien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045987	7,8,9-Trihydroxy-1,3-elemadien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045988	7,8,9-Trihydroxy-1,3-elemadien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045989	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6,7-Dihydroxy-3,7-dimethyl-2-octenyl)(2E,6S-), O8-Me 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045990	7,8-Dihydroxy-2H-1-benzopyran-2-one; 8-O-(6,7-Dihydroxy-3-methylene-7-methyloctyl), O7-Me 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045991	7,8:8,12:11,12-Triepoxy-1(10)-eremophilene-3,6-diol, 6-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045992	8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045993	8,10-Dihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045994	8,10-Dihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045995	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045996	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045997	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045998	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ045999	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl)(E-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046000	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl) (E-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046001	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046002	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl) (E-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046003	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046004	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2-butenoyl) (E-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046005	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl) (Z-) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046006	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046007	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(2-hydroxymethyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046008	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046009	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046010	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046011	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046012	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046013	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046014	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2R,3R-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046015	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ketone, 11?,13-dihydro, O-(2,3-epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046016	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046017	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046018	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylpropanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046019	8,9-Dihydroxy-2-oxo-3,11(13)-germacradien-12,6-olide, 9-Angeloyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046020	8,9-Dihydroxymontahibisciolide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046021	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-O-(3-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046022	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, O-(4-hydroxy-2-hydroxymethyl-2Z-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046023	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 2-Methylbutanoyl 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046024	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046025	8-Hydroxy-1,3,11(13)-elematrien-12,6-olide, 8-[4-Hydroxy-2-(hydroxymethyl)-2E-butenoyl] 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046026	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 4?,5?-Epoxide, 8-(3-methylbutanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046027	8-Hydroxy-3-oxo-1(10),11(13)-germacradien-12,6-olide, O-(2-Hydroxymethyl-2Z-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046028	8-Hydroxy-7-oxo-3-clerodene-15,16:18,19-diolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046029	9,10-Epoxy-5,6-dihydroxy-3,11(13)-germacradien-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046030	9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5-tigloyl, 8-(2-methylpropanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046031	9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 8-tigloyl, 5-(2-methylpropanoyl) 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046032	Annonalide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046033	Bipinnatolide I 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046034	Conacytone 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046035	Coralloidolide D 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046036	Eeniolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046037	Ememodin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046038	Enmein 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046039	Eremantholide B 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046040	Geniculol 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046041	Gibberellin A19 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046042	Gibberellin A24; 12?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046043	Gibberellin A24; 12?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046044	Gibberellin A24; 15?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046045	Gibberellin A24; 3?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046046	Gibberellin A25 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046047	Gibberellin A27 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046048	Gibberellin A44; 12?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046049	Gibberellin A44; 15?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046050	Gibberellin A44; 2?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046051	Gibberellin A44; 3?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046052	Guidongnin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046053	Klaineanone; 11-Ketone 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046054	Ludongnin A 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046055	Nodosin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046056	Phyllostachysin A 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046057	Ponicidin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046058	Pyrrhopappolide; 6?-Hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046059	Rhoiptelol C 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046060	Schkuhripinnatolide A 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046061	Sculponeatin B 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046062	Secochiliolide aldehyde; 19-Hydroxy, 3-carboxylic acid 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046063	Secoeeniolide 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046064	Secoisolariciresinol 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046065	Secomacrotolide; 6?-Angeloyloxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046066	Secomacrotolide; 6?-Tigloyloxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046067	Seconidorella lactone 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046068	Sesebrinic acid 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046069	Sesibiricol; 3',4'-Dihydro, 3'-hydroxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046070	Shikodonin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046071	Tepolin A; 7-Deoxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046072	Teucroxide; 12-Epimer, 2-deoxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046073	Teucroxide; 2-Deoxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046074	Teumicropin 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046075	Teupolin III 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046076	Teupolin V 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046077	Teusalvin E; 2-Deoxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MJ046078	Trichorabdal E; 3-Deacetoxy 	C20H26O6	362.172938	NA	MeJP	NA	NA
+MetaCyc03194	GA19 [gibberellin A19;gibberellin A19;GA19;]	C20H26O6	362.172939	NA	metacyc	NA	NA
+MetaCyc03195	GA25 [gibberellin A25;gibberellin A25;GA25;]	C20H26O6	362.172939	NA	metacyc	NA	NA
+MetaCyc03196	GA36 [gibberellin A36;gibberellin A36;GA36;]	C20H26O6	362.172939	NA	metacyc	NA	NA
+PJ000546	GMR 	C13H26N6O4S	362.1736	NA	PeJP	NA	NA
+MJ046079	Mesulergine 	C18H26N4O2S	362.177646	NA	MeJP	NA	NA
+PJ000547	SKE 	C14H26N4O7	362.1802	NA	PeJP	NA	NA
+MJ046080	Saussureamine C 	C19H26N2O5	362.184171	NA	MeJP	NA	NA
+MJ046081	2-Hydroxy-21-tetracosene-3,12,14,16,23-pentaynoic acid 	C24H26O3	362.188194	NA	MeJP	NA	NA
+MJ046082	23-Oxo-3,5,7,9,11,13,15,17,19,21-tetracosadecaenoic acid 	C24H26O3	362.188194	NA	MeJP	NA	NA
+MJ046083	4-Hydroxy-6-[(1-phenylmethyl)propyl]-3-(1-phenylpropyl)-2H-pyran-2-one 	C24H26O3	362.188194	NA	MeJP	NA	NA
+C15309	17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione	C21H27FO4	362.1893	NA	KEGG	NA	NA
+PJ000548	STR 	C13H26N6O6	362.1914	NA	PeJP	NA	NA
+PJ000549	CLK 	C15H30N4O4S	362.1988	NA	PeJP	NA	NA
+MJ046084	1-Azabicyclo[2.2.2]oct-3-yl 3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate 	C23H26N2O2	362.199428	NA	MeJP	NA	NA
+MJ046085	Benzetimide 	C23H26N2O2	362.199428	NA	MeJP	NA	NA
+MJ046086	Cicarperone 	C20H27FN2O3	362.20057	NA	MeJP	NA	NA
+MJ046087	Clometerone 	C22H31ClO2	362.201257	NA	MeJP	NA	NA
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR381	Cortisol F1	NA	362.209075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR381	Cortisol F1	NA	362.209075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR381	Cortisol F1	NA	362.209075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR381	Cortisol F1	NA	362.209075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR381	Cortisol F1	C21H30O5	362.209075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR096	Cortisol	C21H30O5	362.2093	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR637	cortisol	[M+H]+	362.2093	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR096	Cortisol	C21H30O5	362.2093	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR637	cortisol	[M+H]+	362.2093	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR096	Cortisol	C21H30O5	362.2093	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR637	cortisol	[M+H]+	362.2093	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR096	Cortisol	C21H30O5	362.2093	Wishlist	Inhousejuil11	NA	NA
+EUR637	cortisol	[M+H]+	362.2093	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00735	Cortisol	C21H30O5	362.2093	NA	KEGG	NA	NA
+C01124	18-Hydroxycorticosterone	C21H30O5	362.2093	NA	KEGG	NA	NA
+C03588	4,5alpha-Dihydrocortisone	C21H30O5	362.2093	NA	KEGG	NA	NA
+C05469	17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione	C21H30O5	362.2093	NA	KEGG	NA	NA
+C05473	11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al	C21H30O5	362.2093	NA	KEGG	NA	NA
+C08837	Poststerone	C21H30O5	362.2093	NA	KEGG	NA	NA
+C10695	Humulone	C21H30O5	362.2093	NA	KEGG	NA	NA
+C15034	16alpha-Hydroxycorticosterone	C21H30O5	362.2093	NA	KEGG	NA	NA
+HMDB00037	Aldosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00037	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00063	Cortisol	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00063	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00037	Aldosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00037	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00063	Cortisol	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00063	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00319	18-Hydroxycorticosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00319	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00037	Aldosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00037	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00063	Cortisol	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00063	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00037	Aldosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00037	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00063	Cortisol	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00063	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00037	Aldosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00037	HMDB	NA	NA
+HMDB00063	Cortisol	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00063	HMDB	NA	NA
+HMDB00319	18-Hydroxycorticosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00319	HMDB	NA	NA
+HMDB06754	11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB06754	HMDB	NA	NA
+HMDB06758	 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB06758	HMDB	NA	NA
+HMDB00037	Aldosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00037	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00063	Cortisol	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00063	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00319	18-Hydroxycorticosterone	C21H30O5	362.20932	http://www.hmdb.ca/metabolites/HMDB00319	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00037	Aldosterone	C21H30O5	362.20932	HMDB00037	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00063	Cortisol	C21H30O5	362.20932	HMDB00063	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00319	18-Hydroxycorticosterone	C21H30O5	362.20932	HMDB00319	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06754	11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al	C21H30O5	362.20932	HMDB06754	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06758	 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione	C21H30O5	362.20932	HMDB06758	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00063	Cortisol	C21H30O5	362.20932	NA	HMDB2010	NA	NA
+HMDB00319	18-Hydroxycorticosterone	C21H30O5	362.20932	NA	HMDB2010	NA	NA
+HMDB06758	17a,21-Dihydroxy-5b-pregnane-3,11,20-trione	C21H30O5	362.20932	NA	HMDB2010	NA	NA
+MJ046088	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(3-Methylpentanoyl) 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046089	1,11,21-Trihydroxypregn-4-ene-3,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046090	1,20-Epoxy-1,3(20),10,14-phytatetraene-18,19-dioic acid, 18-Me ester 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046091	1,8-Dihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl, 8-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046092	1-Heptadecene-11,13-diyne-8,9,10-triol, 8,10-Di-Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046093	1-Heptadecene-11,13-diyne-8,9,10-triol, 8,9-Di-Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046094	10,11,12,14-Tetrahydroxy-8,11,13-icetexatrien-7-one; 4?-form, 12-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046095	11,17,21-Trihydroxypregn-4-ene-3,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046096	12-Hydroxy-8(17),13-labdadien-15,12-olid-19-oic acid, 12-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046097	14,15-Dihydroxy-12-oxo-4(18),13-clerodadien-16,15-olide; 15?-form, 14-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046098	14,15-Dihydroxy-12-oxo-4(18),13-clerodadien-16,15-olide; 15?-form, 15-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046099	15,16-Epoxy-12,17-dihydroxy-3,13(16),14-clerodatrien-18-oic acid, Me ester 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046100	16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046101	16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, 16-Ketone (lactone), 15?-alcohol, Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046102	16-Hydroxy-15-oxo-13-spongien-19-oic acid; 16?-form, Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046103	17,19,21-Trihydroxypregn-4-ene-3,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046104	2,3,14-Trihydroxypregn-7-ene-6,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046105	3,12,14-Trihydroxypregn-5-ene-15,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046106	3,13-Clerodadien-15,16-olid-17-oic acid; ent-form, 16?-Methoxy 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046107	3,13-Clerodadien-16,15-olid-18-oic acid, 15?-Methoxy 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046108	3,14,15-Trihydroxypregn-5-ene-12,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046109	3,20-Epoxy-8,11,13-abietatriene-3,7,11,12-tetrol, 12-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046110	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'-Oxo, 6-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046111	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 7'-Oxo, 6-Me ether 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046112	4'-O-Geranylsinapyl alcohol; ?5''-Isomer, 7''-hydroxy 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046113	4'-O-Geranylsinapyl alcohol; ?7''-Isomer, 5''-hydroxy 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046114	5,11-Dihydroxy-1-silphinen-3-one; 5-(2-Methylpropanoyl), 11-Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046115	5-Hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5H)-furanone 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046116	6,11,21-Trihydroxypregn-4-ene-3,20-dione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046117	6,7-Dihydroxy-17-vouacapanoic acid, Me ester 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046118	7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one, 20-Me (20R-) 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046119	7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one, 20-Me (20S-) 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046120	7-Hydroxy-15,16-dinor-12-oxo-8(14)-cassen-17-oic acid, 7-Ac, Me ester 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046121	7-Hydroxy-18-nor-3-oxo-13-cleroden-16,15-olide, Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046122	8,11-Dihydroxy-12-oxo-13,15(17)-abietadien-16-oic acid, Me ester 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046123	8,16-Dihydroxy-17-nor-6,13-labdadien-15-oic acid, 8-Ketone, 16-Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046124	ACTG Toxin A; 1-Oxo 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046125	Adhumulone 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046126	Adonylic acid 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046127	Aplytangene 1 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046128	Brassicene C; 11?-Hydroxy, 12,18-didehydro 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046129	Cannabitetrol 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046130	Coetsoidin C 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046131	Dysidotronic acid 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046132	Esquirolin D 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046133	Hirundigenin 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046134	Humulone 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046135	Isoadhumulone 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046136	Isohumulone A 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046137	Juruenolide D 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046138	Perforaquassin C 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046139	Platycarphol; 15-Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046140	Platycarphol; 7-Ac 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046141	Sarcophytin 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046142	Sinapyl alcohol, 4'-O-(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)(E-) 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046143	Sinapyl alcohol, 4'-O-(7-Hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-) 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046144	Spongionellin 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046145	Tridachiahydropyrone B 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046146	11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046147	17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046148	18-Hydroxycorticosterone 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MJ046149	Cortisol 	C21H30O5	362.209324	NA	MeJP	NA	NA
+MetaCyc03197	18-hydroxycorticosterone [11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;]	C21H30O5	362.209324	561-65-9	metacyc	NA	NA
+MetaCyc03198	4,5&beta;-dihydrocortisone [17,21-dihydroxy-5&beta;-pregnane-3,11,20-trione;]	C21H30O5	362.209324	NA	metacyc	NA	NA
+MetaCyc03199	4,5&alpha;-Dihydrocortisone []	C21H30O5	362.209324	NA	metacyc	NA	NA
+MetaCyc03200	cortisol []	C21H30O5	362.209324	NA	metacyc	NA	NA
+MetaCyc03201	humulone [(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo;]	C21H30O5	362.209324	NA	metacyc	NA	NA
+EUR561	Cortisol	[M+H]+	362.209375	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR561	Cortisol	[M+H]+	362.209375	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR561	Cortisol	[M+H]+	362.209375	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR561	Cortisol	[M+H]+	362.209375	identifies dans serum NuGO	Inhousejuil11	NA	NA
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	HMDB	NA	NA
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	Inhouse_PFEM	NA	NA
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis007	Hydrocortisone (cortisol)	HMDB00063_RT9.43_add725(dimer)	362.21	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+MJ046150	Viminol 	C21H31ClN2O	362.212491	NA	MeJP	NA	NA
+MJ046151	13-Hydroxylupanine; O-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H30N2O4	362.220557	NA	MeJP	NA	NA
+MJ046152	3,13-Dihydroxylupanine, 13-Angeloyl 	C20H30N2O4	362.220557	NA	MeJP	NA	NA
+MJ046153	3,13-Dihydroxylupanine, 13-Tigloyl 	C20H30N2O4	362.220557	NA	MeJP	NA	NA
+MJ046154	3,4-Dihydroxylupanine, 4-Angeloyl 	C20H30N2O4	362.220557	NA	MeJP	NA	NA
+MJ046155	4,13-Dihydroxylupanine, O13-Angeloyl 	C20H30N2O4	362.220557	NA	MeJP	NA	NA
+MJ046156	8,13-Dihydroxylupanine, 13-Angeloyl 	C20H30N2O4	362.220557	NA	MeJP	NA	NA
+C11256	Calpeptin	C20H30N2O4	362.2206	NA	KEGG	NA	NA
+MJ046157	2,4-Bis(3-methyl-2-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol; Mono-Me ether 	C25H30O2	362.22458	NA	MeJP	NA	NA
+MJ046158	3-Methoxy-5-(1-terpinen-4-yloxy)stilbene 	C25H30O2	362.22458	NA	MeJP	NA	NA
+C14630	9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15088	4-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15253	16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15317	9-Fluoro-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15321	6alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15369	9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15408	2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15446	6beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15447	16alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate	C22H31FO3	362.2257	NA	KEGG	NA	NA
+C15448	Urethane dimethacrylate	C22H34N2O8	362.2257	NA	KEGG	NA	NA
+HMDB10214	19,20-DiHDPA	C22H34O4	362.245697	NA	HMDB2010	NA	NA
+C14575	Di-n-heptyl phthalate	C22H34O4	362.2457	NA	KEGG	NA	NA
+MJ046159	1(15),7-Dolastadiene-4,9,14-triol, 4-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046160	1(15),7-Dolastadiene-6,9,14-triol, 6-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046161	1(15),8(19)-Trinervitadiene-2,3,20-triol, 20-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046162	1(15),8(19)-Trinervitadiene-2,3,9-triol, 9-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046163	1(15),8-Dolastadiene-4,7,14-triol, 4-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046164	1(15),8-Dolastadiene-4,7,14-triol, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046165	1,3,7,11-Cembratetraen-16-ol, (3R*,4S*:11R*,12R*)-Diepoxide, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046166	1,3,7,11-Cembratetraene-13,14-diol, 11S,12R-Epoxide, 14-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046167	1-Hydroxy-2,6,10,14-phytatetraen-19-oic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046168	12-Hydroxy-8(17),13-labdadien-15-oic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046169	13,17-Dihydroxy-2,18-sphenolobadien-4-one; 17-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046170	15,16-Epoxy-13(16),14-labdadiene-6,9-diol, 6-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046171	15-(3,4-Methylenedioxyphenyl)pentadecanoic acid 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046172	15-Beyerene-1,12,17-triol, 12-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046173	15-Beyerene-7,14,18-triol, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046174	15-Hydroxy-1(10),13-halimadien-18-oic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046175	15-Kaurene-3,7,18-triol, 18-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046176	15-Kaurene-3,7,18-triol, 3-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046177	15-Kaurene-7,17,18-triol, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046178	15-Kaurene-7,18-diol, 15?,16?-Epoxide, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046179	16,17,19-Kauranetriol, 19-Aldehyde, 17-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046180	16-Hydroperoxy-3,4-secomansumbina-4(28),13(17)-dien-3-oic acid; 16?-form 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046181	16-Hydroxy-8(17),13-labdadien-15-oic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046182	16-Kaurene-3,7,18-triol, 18-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046183	16-Kaurene-3,7,18-triol, 3-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046184	16-Kaurene-7,15,18-triol, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046185	17,18-Epoxy-1(19),7,10,12-xenicatetraene-6,14,17-triol, 14,17-Di-Me ether 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046186	17,19-Kauranediol, 17-Carboxylic acid, 19-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046187	17,19-Kauranediol, Dicarboxylic acid, di-Me ester 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046188	17-Hydroxy-16-spongianone; Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046189	18-Hydroxy-3,13-clerodadien-15-oic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046190	2,10(18),14-Prenylguaiatriene-4,6,13-triol, 13-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046191	2,12-Dihydroxy-3,7-dolabelladien-9-one, 2-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046192	2,15-Dihydroxy-1(10)-halimen-18-oic acid, 18?2 Lactone, 15-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046193	2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046194	2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046195	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 10',11'-Didehydro, 5-Me ether 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046196	2,6,10,14-Phytatetraene-1,16-diol, 16-Carboxylic acid, 1-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046197	2,9:3,16-Diepoxy-6-asbestinen-11-ol, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046198	3,12-Cyathadiene-11,14,15-triol, 11-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046199	3,12-Cyathadiene-11,14,15-triol, 15-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046200	3,16,17-Kauranetriol, 3-Ketone, 17-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046201	3,16,17-Phyllocladanetriol, 3-Ketone, 17-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046202	3,4-Epoxy-13(15),16-sphenolobadiene-5,18-diol, 5-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046203	3-Clerodene-15,18-diol, 15-Carboxylic acid, 13E,14-didehydro, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046204	3-Erythroxylene-7,15,16-triol, 7-Ketone, 16-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046205	3-Hydroxy-17-kauranoic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046206	4(20),11-Taxadiene-5,10,14-triol, 5-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046207	4,18-Dihydroxy-1(9),6,13-xenicatrien-19-al; 18-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046208	5,12-Dihydroxy-3,7-dolabelladien-9-one, 5-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046209	6,13-Dihydroxy-3,14-clerodadien-2-one, 6-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046210	6,13-Dihydroxy-7-haplopanone, 6-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046211	6,13-Epoxy-12-hydroxy-4(18)-eunicellen-9-one, 12-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046212	6,13-Epoxy-3,8(19)-eunicelladiene-9,12-diol, 9-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046213	6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 12-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046214	7,13-Dihydroxy-3,14-clerodadien-2-one, Mono-Ac (isomer A) 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046215	7,13-Dihydroxy-3,14-clerodadien-2-one, Mono-Ac (isomer B) 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046216	7,13-Labdadiene-15,17-diol, 17-Carboxylic, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046217	7,16,17-Kauranetriol, 7-Ketone, 17-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046218	7,8-Dihydroxy-15-isopimaren-3-one, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046219	7,8-Epoxy-3,11,15-cembratriene-2,18-diol, 18-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046220	7-Hydroxy-16-spongianone; 7?-form, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046221	7-Hydroxy-3,13-clerodadien-15-oic acid, Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046222	8(14),15-Isopimaradiene-1,6,9-triol, 6-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046223	8(14),15-Isopimaradiene-1,7,11-triol, 7-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046224	8(17),13-Labdadiene-15,18-diol, 15-Carboxylic acid, 18-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046225	8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid, 15-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046226	8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, 15-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046227	8(17),13-Labdadiene-15,19-diol, 15-Carboxylic acid, 19-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046228	8(17),13-Labdadiene-2,15-diol, 15-Carboxylic acid, 2-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046229	8(17),13-Labdadiene-3,15,19-triol, 19-Aldehyde, 3-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046230	8(17),13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046231	8,13-Dihydroxy-5-neoverrucosanone, 8-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046232	8,14-Labdadiene-6,7,13-triol, 7-Ketone, 6-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046233	Ancepsenolide 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046234	Antibiotic A 88696F 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046235	Aplykurodin A; 17,18-Didehydro, 4-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046236	Buxapentalactone 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046237	Cheloviolene C 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046238	Cheloviolene F 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046239	Dictyol H 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046240	Dictyotriol A; 12-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046241	Lycopersiconolide 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046242	Mutilin; 8-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046243	Pregna-5,14-diene-3,17,20,21-tetrol, 21-Me ether 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046244	Prerotundifuran 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046245	Shahamin E; 12-Deoxy, 16-Ac 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046246	Solandelactone G; 11-Epimer, 19,20-dihydro 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046247	Solandelactone G; 11-Epimer, 5,6-dihydro 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046248	Solandelactone G; 19,20-Dihydro 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046249	Solandelactone G; 5,6-Dihydro 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046250	Solanolide 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046251	Tormesolanone 	C22H34O4	362.245709	NA	MeJP	NA	NA
+MJ046252	Fortimicin B; N1-Me 	C16H34N4O5	362.25292	NA	MeJP	NA	NA
+MJ046253	13-Hydroxylupanine; O-Hexanoyl 	C21H34N2O3	362.256942	NA	MeJP	NA	NA
+MJ046254	Heptacaine 	C21H34N2O3	362.256942	NA	MeJP	NA	NA
+C14968	3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one	C26H34O	362.261	NA	KEGG	NA	NA
+MJ046255	Protoverbine; 4'-Methoxy 	C20H34N4O2	362.268176	NA	MeJP	NA	NA
+MJ046256	1-Hydroxy-2,5,12-heneicosatrien-4-one, Ac 	C23H38O3	362.282095	NA	MeJP	NA	NA
+MJ046257	1-Hydroxy-2,5,14-heneicosatrien-4-one, Ac 	C23H38O3	362.282095	NA	MeJP	NA	NA
+MJ046258	1-Hydroxy-2,5,16-heneicosatrien-4-one, Ac 	C23H38O3	362.282095	NA	MeJP	NA	NA
+MJ046259	2-(8-Heptadecenyl)-1,4-benzenediol, 2'R-Hydroxy 	C23H38O3	362.282095	NA	MeJP	NA	NA
+MJ046260	Yosgadensonol 	C23H38O3	362.282095	NA	MeJP	NA	NA
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR399	Calcitriol F4	NA	362.297975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR399	Calcitriol F4	NA	362.297975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR399	Calcitriol F4	NA	362.297975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR399	Calcitriol F4	NA	362.297975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR399	Calcitriol F4	F4	362.297975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ046261	Xestamine E; N1-Me 	C23H43N2O(+)	362.329714	NA	MeJP	NA	NA
+MJ046262	11-Hexacosyne 	C26H50	362.391251	NA	MeJP	NA	NA
+3637	NA	YPFGFP~	362.67	MH2+	Inhouse_peptide	NA	peptide
+MJ046263	[N,N'-Bis(mercaptoacetyl)-2,3-diaminopropanoato(4-)]oxotechnetate(V)(1-) 	C7H8N2O5S2Tc(-)	362.902503	NA	MeJP	NA	NA
+MJ046264	Aurothioglycanide 	C8H8AuNOS	362.999211	NA	MeJP	NA	NA
+MJ046265	2-Hydroxyethyl glucosinolate 	C9H17NO10S2	363.029387	NA	MeJP	NA	NA
+MJ046266	1-(3-Indolyl)-?-carboline; 3,4-Dihydro, 6'-bromo 	C19H14BrN3	363.03711	NA	MeJP	NA	NA
+MJ046267	3'-Guanylic acid 	C10H14N5O8P	363.057998	NA	MeJP	NA	NA
+MJ046268	5'-Guanylic acid 	C10H14N5O8P	363.057998	NA	MeJP	NA	NA
+MJ046269	GMP 	C10H14N5O8P	363.057999	NA	MeJP	NA	NA
+MJ046270	Guanosine 3'-phosphate 	C10H14N5O8P	363.057999	NA	MeJP	NA	NA
+MetaCyc03202	GMP [guanylate;G;guanylic acid;guanosine-phosphate;guanosine-5'-phosphate;guanosine-monophosphate;guanosine monophosphate;guanosine-5'-monophosphate;]	C10H14N5O8P1	363.057999	85-32-5	metacyc	NA	NA
+MetaCyc03203	guanosine 3'-monophosphate [3'-GMP;guanosine 3'-phosphate;3'-guanylic acid;]	C10H14N5O8P1	363.057999	497-76-7	metacyc	NA	NA
+C00144	GMP	C10H14N5O8P	363.058	NA	KEGG	NA	NA
+C00145	Thiol	HSR	363.058	NA	KEGG	NA	NA
+C06193	Guanosine 3'-phosphate	C10H14N5O8P	363.058	NA	KEGG	NA	NA
+HMDB01397	GMP	C10H14N5O8P	363.05801	http://www.hmdb.ca/metabolites/HMDB01397	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01397	GMP	C10H14N5O8P	363.05801	http://www.hmdb.ca/metabolites/HMDB01397	HMDB	NA	NA
+HMDB01397	GMP	C10H14N5O8P	363.05801	http://www.hmdb.ca/metabolites/HMDB01397	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01397	GMP	C10H14N5O8P	363.05801	HMDB01397	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01397	Guanosine monophosphate	C10H14N5O8P	363.058014	NA	HMDB2010	NA	NA
+HMDB11670	8-Oxo-dGMP	C10H14N5O8P	363.058014	NA	HMDB2010	NA	NA
+MJ046271	7-Chloro-4-hydroxy-3-(3-phenoxyphenyl)-2(1H)-quinolinone 	C21H14ClNO3	363.066221	NA	MeJP	NA	NA
+MJ046272	Broperamole 	C15H18BrN5O	363.069472	NA	MeJP	NA	NA
+CJneg0559	Acetaminophen glucuronide [(M+Cl)]-	C14H17ClNO8	363.072625	C18rt(min)=4.12 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0559	Acetaminophen glucuronide [(M+Cl)]-	C14H17ClNO8	363.072625	C18rt(min)=4.12 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ046273	Griseolic acid; 7'-Deoxy 	C14H13N5O7	363.081497	NA	MeJP	NA	NA
+MJ046274	Etofibrate 	C18H18ClNO5	363.08735	NA	MeJP	NA	NA
+MJ046275	Cefadroxil 	C16H17N3O5S	363.088891	NA	MeJP	NA	NA
+C06878	Cefadroxil	C16H17N3O5S	363.0889	NA	KEGG	NA	NA
+PJ000550	DDD 	C12H17N3O10	363.0914	NA	PeJP	NA	NA
+MJ046276	Candidine 	C23H13N3O2	363.100776	NA	MeJP	NA	NA
+MJ046277	Diplamine 	C20H17N3O2S	363.104147	NA	MeJP	NA	NA
+MJ046278	Rufloxacin 	C17H18FN3O3S	363.10529	NA	MeJP	NA	NA
+C11240	Rufloxacin	C17H18FN3O3S	363.1053	NA	KEGG	NA	NA
+MetaCyc03204	7,8-didemethyl-8-hydroxy-5-deazariboflavin [FO;]	C16H17N3O7	363.10665	NA	metacyc	NA	NA
+MJ046279	8-Hydroxymethyldihydrosanguinarine 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MJ046280	8-Methoxydihydrosanguinarine 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MJ046281	Dihydrochelirubine 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MJ046282	Oxychelerythrine 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MJ046283	Oxynitidine 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MJ046284	Telisatin A; 3-Methoxy 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MJ046285	Chelilutine; 12-O-De-Me 	C21H18NO5(+)	363.110672	NA	MeJP	NA	NA
+MJ046286	Dihydrochelirubine 	C21H17NO5	363.110672	NA	MeJP	NA	NA
+MetaCyc03205	dihydrochelirubine [13, 14-dihydro-5-methoxy-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine;]	C21H17N1O5	363.110673	28342-26-9	metacyc	NA	NA
+C05194	Dihydrochelirubine	C21H17NO5	363.1107	NA	KEGG	NA	NA
+C12225	6-Oxochelerythrine	C21H17NO5	363.1107	NA	KEGG	NA	NA
+PJ000551	CNQ 	C12H21N5O6S	363.1213	NA	PeJP	NA	NA
+C16822	9-Aminocamptothecin	C20H17N3O4	363.1219	NA	KEGG	NA	NA
+MJ046287	9-Aminocamptothecin 	C20H17N3O4	363.121906	NA	MeJP	NA	NA
+MJ046288	Circumdatin A; 5-Demethoxy 	C20H17N3O4	363.121906	NA	MeJP	NA	NA
+MJ046289	Circumdatin E 	C20H17N3O4	363.121906	NA	MeJP	NA	NA
+MJ046290	[4-[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid 	C19H22ClNO4	363.123735	NA	MeJP	NA	NA
+MJ046291	Maremycin A 	C17H21N3O4S	363.125276	NA	MeJP	NA	NA
+PJ000552	SEE 	C13H21N3O9	363.1278	NA	PeJP	NA	NA
+MJ046292	Galwesine; 16-Hydroxy, O9-de-Me 	C18H21NO7	363.131802	NA	MeJP	NA	NA
+MJ046293	[3,2':2'(3'H),3''-Ter-1H-indol]-3'-one 	C24H17N3O	363.137162	NA	MeJP	NA	NA
+MJ046294	[3,3':3'(2'H),3''-Ter-1H-indol]-2'-one 	C24H17N3O	363.137162	NA	MeJP	NA	NA
+PJ000553	GSSN 	C12H21N5O8	363.139	NA	PeJP	NA	NA
+C05556	delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine	C14H25N3O6S	363.1464	NA	KEGG	NA	NA
+PJ000554	VDM 	C14H25N3O6S	363.1464	NA	PeJP	NA	NA
+MJ046295	delta(L-2-Aminoadipyl)-L-cysteinyl-D-valine 	C14H25N3O6S	363.146406	NA	MeJP	NA	NA
+MetaCyc03206	N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine [ACV;L-&delta;-(&alpha;-aminoadipoyl)-L-cysteinyl-D-valine;&delta;(L-2-aminoadipyl)-L-cysteinyl-D-valine;N-[L-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine;]	C14H25N3O6S1	363.146406	NA	metacyc	NA	NA
+MJ046296	2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol, O7,O9-Dibenzoyl 	C22H21NO4	363.147058	NA	MeJP	NA	NA
+MJ046297	Bocconoline; Deoxy 	C22H21NO4	363.147058	NA	MeJP	NA	NA
+MJ046298	Buxifoliadine G 	C22H21NO4	363.147058	NA	MeJP	NA	NA
+MJ046299	Coralyne 	C22H22NO4(+)	363.147058	NA	MeJP	NA	NA
+7908	synthetic peptide	AHH	363.153	antioxidative	Inhouse_peptide	NA	peptide
+7983	synthetic peptide	HAH	363.153	antioxidative	Inhouse_peptide	NA	peptide
+3347	ACE inhibitor	DYGLYP	363.15495	MH2+	Inhouse_peptide	NA	peptide
+PJ000555	CNK 	C13H25N5O5S	363.1577	NA	PeJP	NA	NA
+MJ046300	2-[2-Amino-3-(1H-indol-3-yl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046301	Almazole A 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046302	Austamide 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046303	Cadamine 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046304	Dizatrifone 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046305	Lyadine 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046306	Mersingine A 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046307	Nauclechine; Natural-form 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046308	Naucleonidine 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046309	Spirotryprostatin A; Demethoxy, 8,9-didehydro 	C21H21N3O3	363.158291	NA	MeJP	NA	NA
+MJ046310	Adafenoxate 	C20H26ClNO3	363.160121	NA	MeJP	NA	NA
+MJ046311	Lachesine(1+); Chloride 	C20H26ClNO3	363.160121	NA	MeJP	NA	NA
+MJ046312	Antibiotic SF 2339 	C14H25N3O8	363.164164	NA	MeJP	NA	NA
+PJ000556	AHH 	C15H21N7O4	363.1655	NA	PeJP	NA	NA
+MJ046313	Sinefungin; ?-Lactam 	C15H21N7O4	363.165502	NA	MeJP	NA	NA
+MJ046314	4-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-2-hydroxypropoxy]-1,2-benzenediol 	C19H25NO6	363.168187	NA	MeJP	NA	NA
+MJ046315	6-Hydroxy-1-pyrrolizidinecarboxylic acid, 6-O-[3-(4-Hydroxy-3-methoxyphenyl)propanoyl], Me ester 	C19H25NO6	363.168187	NA	MeJP	NA	NA
+MJ046316	Acutumine; Dechloro 	C19H25NO6	363.168187	NA	MeJP	NA	NA
+MJ046317	Hernandine 	C19H25NO6	363.168187	NA	MeJP	NA	NA
+MJ046318	Longanine 	C19H25NO6	363.168187	NA	MeJP	NA	NA
+MJ046319	Nilgirine; Ac 	C19H25NO6	363.168187	NA	MeJP	NA	NA
+MJ046320	4-Amino-5-chloro-2,3-dihydro-2-methyl-N-[2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethyl]-7-benzofurancarboxamide 	C19H26ClN3O2	363.171354	NA	MeJP	NA	NA
+PJ000557	PTF 	C18H25N3O5	363.1794	NA	PeJP	NA	NA
+MJ046321	Carocainide 	C18H25N3O5	363.17942	NA	MeJP	NA	NA
+MJ046322	Cathestatin C; 4'-Deoxy 	C18H25N3O5	363.17942	NA	MeJP	NA	NA
+MJ046323	Libenzapril 	C18H25N3O5	363.17942	NA	MeJP	NA	NA
+PJ000558	TLM 	C15H29N3O5S	363.1828	NA	PeJP	NA	NA
+C12337	Dioncophylline C	C23H25NO3	363.1834	NA	KEGG	NA	NA
+MJ046324	2-[6-(3,4-Methylenedioxyphenyl)hexyl]-4(1H)-quinolinone; OH-form, Me ether 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046325	Antofine 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046326	Dioncophylline A; O5'-De-Me 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046327	Dioncophylline B 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046328	Dioncophylline C 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046329	Mukoenine B; 8-Hydroxy 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046330	Murrayaquinone D 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+MJ046331	Tylophorinine, Deoxy 	C23H25NO3	363.183443	NA	MeJP	NA	NA
+HMDB12240	Isopentenyladenine-9-N-glucoside	C17H25N5O4	363.190643	NA	HMDB2010	NA	NA
+MJ046332	Adenosine; 6N-Cyclohexyl, 2'-O-Me 	C17H25N5O4	363.190654	NA	MeJP	NA	NA
+MJ046333	Bucindolol 	C22H25N3O2	363.194677	NA	MeJP	NA	NA
+MJ046334	Consiculine 	C20H29NO5	363.204573	NA	MeJP	NA	NA
+MJ046335	Saussureamine D 	C20H29NO5	363.204573	NA	MeJP	NA	NA
+MJ046336	1-(1H-Indol-2-ylcarbonyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine 	C21H25N5O	363.20591	NA	MeJP	NA	NA
+PJ000559	VVF 	C19H29N3O4	363.2158	NA	PeJP	NA	NA
+C15640	LG 100268	C24H29NO2	363.2198	NA	KEGG	NA	NA
+MJ046337	Euchrestine C; 2-Me ether 	C24H29NO2	363.219829	NA	MeJP	NA	NA
+MJ046338	Euchrestine C; 7-Me ether 	C24H29NO2	363.219829	NA	MeJP	NA	NA
+MJ046339	Methylcyclooctylprodigiosin 	C23H29N3O	363.231062	NA	MeJP	NA	NA
+MJ046340	Necopidem 	C23H29N3O	363.231062	NA	MeJP	NA	NA
+MJ046341	Nonylprodigiosin 	C23H29N3O	363.231062	NA	MeJP	NA	NA
+MJ046342	Opipramol 	C23H29N3O	363.231062	NA	MeJP	NA	NA
+MJ046343	Pirolazamide 	C23H29N3O	363.231062	NA	MeJP	NA	NA
+MJ046344	Aconosine; O1-De-Me 	C21H33NO4	363.240958	NA	MeJP	NA	NA
+MJ046345	Antidesmone; 8-Alcohol, O-Ac 	C21H33NO4	363.240958	NA	MeJP	NA	NA
+MJ046346	Cardiopetalidine 	C21H33NO4	363.240958	NA	MeJP	NA	NA
+MJ046347	Incarvilline; O-(8-Carboxy-3,7-dimethyl-2,6-octadienoyl) 	C21H33NO4	363.240958	NA	MeJP	NA	NA
+C08667	Cardiopetalidine	C21H33NO4	363.241	NA	KEGG	NA	NA
+C11275	Cetyltrimethylammonium bromide	C19H42N	363.2501	NA	KEGG	NA	NA
+MJ046348	Talinolol 	C20H33N3O3	363.252191	NA	MeJP	NA	NA
+C10641	Aurachin D	C25H33NO	363.2562	NA	KEGG	NA	NA
+C15128	1'H-5alpha-Androst-2-eno[3,2-b]indol-17beta-ol	C25H33NO	363.2562	NA	KEGG	NA	NA
+MJ046349	Aurachin D 	C25H33NO	363.256214	NA	MeJP	NA	NA
+HMDB05085	Leukotriene B4 dimethylamide	C22H37NO3	363.27734	http://www.hmdb.ca/metabolites/HMDB05085	HMDB	NA	NA
+HMDB05085	Leukotriene B4 dimethylamide	C22H37NO3	363.27734	HMDB05085	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05085	Leukotriene B4 dimethylamide	C22H37NO3	363.277344	NA	HMDB2010	NA	NA
+HMDB13630	20-HETE ethanolamide	C22H37NO3	363.277344	NA	HMDB2010	NA	NA
+C11216	Zwittergent 3-14	C19H41NO3S	363.2807	NA	KEGG	NA	NA
+MJ046350	Anhydrocannabisativine 	C21H37N3O2	363.288577	NA	MeJP	NA	NA
+MJ046351	N-(2-Fluoroethyl)-2-methyl-5,8,11,14-eicosatetraenamide 	C23H38FNO	363.293743	NA	MeJP	NA	NA
+C10825	Terminaline	C23H41NO2	363.3137	NA	KEGG	NA	NA
+MJ046352	12-Oxo-2-octadecenoic acid, Piperidide 	C23H41NO2	363.313729	NA	MeJP	NA	NA
+MJ046353	20-Aminopregnane-3,4-diol, N,N-Di-Me 	C23H41NO2	363.313729	NA	MeJP	NA	NA
+MJ046354	Dictyolucidine; N-Me 	C23H41NO2	363.313729	NA	MeJP	NA	NA
+MJ046355	Mycalazoles; Mycalazole 7 	C23H41NO2	363.313729	NA	MeJP	NA	NA
+MJ046356	2,4-Eicosadienoic acid, 2-Methylpropylamide 	C24H45NO	363.350115	NA	MeJP	NA	NA
+MJ046357	Trichonine, 4,5-Dihydro 	C24H45NO	363.350115	NA	MeJP	NA	NA
+3357	ACE inhibitor	GYALPHA	363.676	MH2+	Inhouse_peptide	NA	peptide
+3606	NA	YPFGFV~	363.678	MH2+	Inhouse_peptide	NA	peptide
+MJ046358	2,4,4,6,6-Pentachloro-7-(dichloromethylene)-1-oxaspiro[2.4]heptan-5-ol 	C7H3Cl7O2	363.795273	NA	MeJP	NA	NA
+MJ046359	3,3,5,5-Tetrachloro-4-hydroxy-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde 	C7H3Cl7O2	363.795273	NA	MeJP	NA	NA
+MJ046360	Bromophos 	C8H8BrCl2O3PS	363.849219	NA	MeJP	NA	NA
+MJ046361	Tetrachlorvinphos 	C10H9Cl4O4P	363.899256	NA	MeJP	NA	NA
+C14513	Tetrachlorvinphos	C10H9Cl4O4P	363.8993	NA	KEGG	NA	NA
+MJ046362	1,6-Dibromo-2,7-dichloro-3,7-dimethyl-3-octene 	C10H16Br2Cl2	363.899581	NA	MeJP	NA	NA
+MJ046363	6-Bromo-3-(bromomethyl)-3,7-dichloro-7-methyl-1-octene 	C10H16Br2Cl2	363.899581	NA	MeJP	NA	NA
+MJ046364	7-Bromo-3-bromomethyl-3,6-dichloro-7-methyl-1-octene 	C10H16Br2Cl2	363.899581	NA	MeJP	NA	NA
+MJ046365	Selenohomocystine 	C8H16N2O4Se2	363.94405	NA	MeJP	NA	NA
+C05707	Selenohomocystine	C8H16N2O4Se2	363.9441	NA	KEGG	NA	NA
+C14528	Tetrachlorobisphenol A	C15H12Cl4O2	363.9591	NA	KEGG	NA	NA
+MJ046366	7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one 	C15H10BrClN2O2	363.961417	NA	MeJP	NA	NA
+MJ046367	Eudistomin T; 6-Bromo 	C19H13BrN2O	364.021125	NA	MeJP	NA	NA
+MJ046368	Eudistomin T; 7-Bromo 	C19H13BrN2O	364.021125	NA	MeJP	NA	NA
+MetaCyc03207	chloramphenicol 3-acetate [acetic acid [2-(2,2-dichloroacetyl)amino-3-hydroxy-3-(4- nitrophenyl)-propyl] ester;]	C13H14N2O6CL2	364.022892	NA	metacyc	NA	NA
+C03601	Chloramphenicol 3-acetate	C13H14Cl2N2O6	364.0229	NA	KEGG	NA	NA
+C03603	Complement component iC3b	C13H14Cl2N2O6	364.0229	NA	KEGG	NA	NA
+C04646	6-Thioinosine-5'-monophosphate	C10H13N4O7PS	364.0243	NA	KEGG	NA	NA
+C04648	alpha-L-Fucosyl-1,2-beta-D-galactoside	C12H21O10R	364.0243	NA	KEGG	NA	NA
+C04649	Heparan sulfate N-acetyl-alpha-D-glucosaminide	C8H14NO6	364.0243	NA	KEGG	NA	NA
+MJ046369	Indacrinone 	C18H14Cl2O4	364.026914	NA	MeJP	NA	NA
+MJ046370	Suclofenide 	C16H13ClN2O4S	364.028455	NA	MeJP	NA	NA
+MJ046371	Erdin, 5-Dechloro, Me ester 	C17H13ClO7	364.03498	NA	MeJP	NA	NA
+MJ046372	Erdin, 7-Dechloro, Me ester 	C17H13ClO7	364.03498	NA	MeJP	NA	NA
+MJ046373	Lecideoidin; 9-Dechloro 	C17H13ClO7	364.03498	NA	MeJP	NA	NA
+MJ046374	Maldoxone 	C17H13ClO7	364.03498	NA	MeJP	NA	NA
+MJ046375	Cadinene dihydrobromide 	C15H26Br2	364.040126	NA	MeJP	NA	NA
+C00655	Xanthosine 5'-phosphate	C10H13N4O9P	364.042	NA	KEGG	NA	NA
+C00657	Amylaceous polysaccharide	C10H13N4O9P	364.042	NA	KEGG	NA	NA
+C00658	trans-2,3-Dehydroacyl-CoA	C24H37N7O17P3SR	364.042	NA	KEGG	NA	NA
+MJ046376	Xanthosine 5'-phosphate 	C10H13N4O9P	364.042014	NA	MeJP	NA	NA
+MetaCyc03208	xanthosine-5-phosphate [(9-D-ribosylxanthine)-5'-phosphate;XMP;xanthosine-5'-phosphate;xanthosine-5-P;xanthosine-5'-P;9-(5-phospho-&beta;-D-ribosyl)xanthine;]	C10H13N4O9P1	364.042015	523-98-8	metacyc	NA	NA
+HMDB01554	Xanthylic acid	C10H13N4O9P	364.04202	http://www.hmdb.ca/metabolites/HMDB01554	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01554	Xanthylic acid	C10H13N4O9P	364.04202	http://www.hmdb.ca/metabolites/HMDB01554	HMDB	NA	NA
+HMDB01554	Xanthylic acid	C10H13N4O9P	364.04202	http://www.hmdb.ca/metabolites/HMDB01554	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01554	Xanthylic acid	C10H13N4O9P	364.04202	HMDB01554	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01554	Xanthylic acid	C10H13N4O9P	364.042023	NA	HMDB2010	NA	NA
+FLIFWXNF0002	Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone	C20H12O7	364.0583	28607-94-5	knapsack	NA	NA
+MJ046377	2',4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5:4',5'-Bis(methylene) 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046378	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene) ether 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046379	3,3',4,4',5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3,4:3',4'-Bis(methylene) ether 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046380	3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3,4:3',4'-Bis(methylene) ether 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046381	3,3',4,4',9'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide, 3,4:3',4'-Bis(methylene ether) 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046382	Mycochrysone 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046383	Pachyrrhizone, 6a,13a-Didehydro 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046384	Palmarumycin C15; 3,6-Diketone 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046385	Palmarumycin C15; 3,7-Diketone 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046386	Preussomerin A; 1'-Ketone 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046387	Preussomerin A; 1-Ketone 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046388	Preussomerin A; 2',3'-Dihydro, 1,1'-diketone 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046389	Spiroxin D 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046390	Stemphyltoxin I; 1,2-Epoxy 	C20H12O7	364.058302	NA	MeJP	NA	NA
+MJ046391	Nucleocidin 	C10H13FN6O6S	364.060131	NA	MeJP	NA	NA
+MJ046392	Hamigeran B 	C18H21BrO3	364.067407	NA	MeJP	NA	NA
+MJ046393	Radicicol 	C18H17ClO6	364.071365	NA	MeJP	NA	NA
+MJ046394	Tolgabide 	C18H18Cl2N2O2	364.074533	NA	MeJP	NA	NA
+MJ046395	Bergaptol; O-?-D-Glucopyranoside 	C17H16O9	364.079432	NA	MeJP	NA	NA
+MJ046396	Xanthotoxol; O-?-D-Glucopyranoside 	C17H16O9	364.079432	NA	MeJP	NA	NA
+C10955	Sulfometuron methyl	C15H16N4O5S	364.0841	NA	KEGG	NA	NA
+CJpos0776	1-methyluric acid [(2M+H)]+	C12H13N8O6	364.087475	C18rt(min)=4.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0776	1-methyluric acid [(2M+H)]+	C12H13N8O6	364.087475	C18rt(min)=4.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0560	1-methyluric acid [(2M-H)]-	C12H11N8O6	364.088525	C18rt(min)=4.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0560	1-methyluric acid [(2M-H)]-	C12H11N8O6	364.088525	C18rt(min)=4.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ046397	Ulbactin B 	C17H20N2O3S2	364.091533	NA	MeJP	NA	NA
+FLIAACNP0002	Robustone	C21H16O6	364.09468	22044-56-0	knapsack	NA	NA
+FLIAACNP0006	5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone	C21H16O6	364.09468	106009-67-0	knapsack	NA	NA
+FLIEBANP0001	Gancaonin F	C21H16O6	364.09468	126716-33-4	knapsack	NA	NA
+MJ046398	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4,5-di-Me ether 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046399	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 4,5-Methylene, 3',4'-di-Me ether 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046400	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5-di-Me ether 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046401	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',4'-di-Me ether 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046402	Calopogoniumisoflavone B; 5-Hydroxy 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046403	Gancaonin F 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046404	Gerberinol 1 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046405	Isojamaicin; O-De-Me 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046406	Justicin B 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046407	Penioflavin 	C21H16O6	364.094688	NA	MeJP	NA	NA
+MJ046408	Robustone 	C21H16O6	364.094688	NA	MeJP	NA	NA
+C10636	Justicidin B	C21H16O6	364.0947	NA	KEGG	NA	NA
+MJ046409	Ritrosulfan 	C10H24N2O8S2	364.097407	NA	MeJP	NA	NA
+CJpos0777	Sucrose (and isomers) [(M+Na)]+	C12H22NaO11	364.097575	C18rt(min)=0.95 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0777	Sucrose (and isomers) [(M+Na)]+	C12H22NaO11	364.097575	C18rt(min)=0.95 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ046410	18-Bromo-15,17-octadecadiene-5,7-diynoic acid, Me ester 	C19H25BrO2	364.103792	NA	MeJP	NA	NA
+MJ046411	18-Bromo-5,7,17-octadecatriynoic acid; Me ester 	C19H25BrO2	364.103792	NA	MeJP	NA	NA
+MJ046412	18-Bromo-9,17-octadecadiene-7,15-diynoic acid, Me ester 	C19H25BrO2	364.103792	NA	MeJP	NA	NA
+PJ000560	CNE 	C12H20N4O7S	364.1053	NA	PeJP	NA	NA
+C17939	10-Hydroxycamptothecin	C20H16N2O5	364.1059	NA	KEGG	NA	NA
+MJ046413	Camptothecin, 10-Hydroxy 	C20H16N2O5	364.105921	NA	MeJP	NA	NA
+MJ046414	Camptothecin, 11-Hydroxy 	C20H16N2O5	364.105921	NA	MeJP	NA	NA
+MJ046415	Camptothecin, 18-Hydroxy 	C20H16N2O5	364.105921	NA	MeJP	NA	NA
+MJ046416	Bumetanide 	C17H20N2O5S	364.109292	NA	MeJP	NA	NA
+MJ046417	Pheneticillin 	C17H20N2O5S	364.109292	NA	MeJP	NA	NA
+MJ046418	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1'-Benzoyl, 3,4-di-Ac 	C18H20O8	364.115817	NA	MeJP	NA	NA
+MJ046419	4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxybenzoic acid 	C18H20O8	364.115817	NA	MeJP	NA	NA
+MJ046420	Inumakilactone A 	C18H20O8	364.115817	NA	MeJP	NA	NA
+MJ046421	Maderone 	C18H20O8	364.115817	NA	MeJP	NA	NA
+CJneg0561	Hydroxyphenyllactic acid [(2M-H)]-	C18H19O8	364.116325	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0561	Hydroxyphenyllactic acid [(2M-H)]-	C18H19O8	364.116325	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ046422	Zidometacin 	C19H16N4O4	364.117155	NA	MeJP	NA	NA
+PJ000561	GCW 	C16H20N4O4S	364.1205	NA	PeJP	NA	NA
+PJ000562	GSSD 	C12H20N4O9	364.123	NA	PeJP	NA	NA
+FL3FBBNP0001	Carpachromene dimethyl ether;Di-O-methylcarpachromene;5-Methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C22H20O5	364.13107	61828-61-3	knapsack	NA	NA
+FL5F29NP0001	3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone	C22H20O5	364.13107	61755-75-7	knapsack	NA	NA
+FL5FA9NP0002	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C22H20O5	364.13107	329014-32-6	knapsack	NA	NA
+FLIABBNP0001	Alpinumisoflavone dimethyl ether	C22H20O5	364.13107	34086-56-1	knapsack	NA	NA
+MJ046423	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-Benzoyl 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046424	3,6-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046425	Alpinumisoflavone; Di-Me ether 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046426	Aspulvinone I 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046427	Bidwillon C; 6-Methoxy, Me ether 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046428	Bitalin A, 12-O-(4-Hydroxycinnamoyl)(E-) 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046429	Karanjachromene; 5-Methoxy 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046430	Tephroglabrin 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046431	Thonninginisoflavone 	C22H20O5	364.131073	NA	MeJP	NA	NA
+MJ046432	Clofoctol 	C21H26Cl2O	364.13607	NA	MeJP	NA	NA
+MJ046433	Dihydrocatalpolgenin; 1-O-?-D-Glucopyranoside(1?-) 	C15H24O10	364.136946	NA	MeJP	NA	NA
+MJ046434	Harpagide 	C15H24O10	364.136946	NA	MeJP	NA	NA
+MJ046435	Physoside 	C15H24O10	364.136946	NA	MeJP	NA	NA
+MJ046436	Diaziquone 	C16H20N4O6	364.138284	NA	MeJP	NA	NA
+MJ046437	Aplysiadiol; 15-Deoxy, 15,16-didehydro 	C20H29BrO	364.140178	NA	MeJP	NA	NA
+PJ000563	SQM 	C13H24N4O6S	364.1417	NA	PeJP	NA	NA
+MJ046438	Kopsinitarine A; Decarbomethoxy 	C21H20N2O4	364.142307	NA	MeJP	NA	NA
+MJ046439	Mitralactonal 	C21H20N2O4	364.142307	NA	MeJP	NA	NA
+MJ046440	Mitralactonine 	C21H20N2O4	364.142307	NA	MeJP	NA	NA
+MJ046441	Talbotine; 3,4,5,6-Tetradehydro 	C21H20N2O4	364.142307	NA	MeJP	NA	NA
+MJ046442	Vallesiachotamine lactone 	C21H20N2O4	364.142307	NA	MeJP	NA	NA
+MJ046443	3-(Methylthio)phomamide 	C18H24N2O4S	364.145677	NA	MeJP	NA	NA
+MJ046444	N-Acetylmuramoyl-Ala 	C14H24N2O9	364.14818	NA	MeJP	NA	NA
+C02999	N-Acetylmuramoyl-Ala	C14H24N2O9	364.1482	NA	KEGG	NA	NA
+C03000	N-Acyl-D-glucosamine	C7H12NO6R	364.1482	NA	KEGG	NA	NA
+C03579	Gibberellin A8	C19H24O7	364.1522	NA	KEGG	NA	NA
+C09585	Vernomygdin	C19H24O7	364.1522	NA	KEGG	NA	NA
+C09607	Zexbrevin B	C19H24O7	364.1522	NA	KEGG	NA	NA
+MJ046445	Gibberellin 8 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046446	1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046447	1,10:14,15-Diepoxy-6,14-dihydroxy-4,11(13)-germacradien-12,8-olide, 6-(2-Methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046448	1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046449	1,15-Dihydroxy-9,11(13)-germacradiene-12,6:14,8-diolide, 1-(2-Methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046450	1,2,8-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-(2-Hydroxymethylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046451	1,3,13-Trihydroxy-4(15),7(11)-eudesmadien-12,6-olide, 3,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046452	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 3,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046453	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1,3-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046454	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 3,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046455	1,3,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 3,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046456	1,3,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1,9-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046457	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-(2-Methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046458	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046459	1,8,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 8,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046460	1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8,15-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046461	1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8,15-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046462	1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 8-(3-Hydroxy-2-methylenepropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046463	1,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,6-olide, 11?,13-Dihydro, 8-(2,3-epoxy-2-methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046464	11,13-Dihydroxy-3-oxo-10(14)-guaien-12,6-olide, 11,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046465	2,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 2,9-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046466	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046467	3,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 1R,10S-Epoxide, di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046468	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046469	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046470	3,4,8-Trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046471	3,4-Epoxy-2,8-dihydroxy-10-guaien-12,6-olide, Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046472	3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 1?,2?-Epoxide, 3-ketone, 8-(2-methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046473	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046474	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2,3-Dihydroxy-2-methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046475	3,9,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 3,9-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046476	4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 14-Acetoxy, 4-ketone, 15-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046477	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046478	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2,3-Epoxy-2-methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046479	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethylpropenoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046480	4,5-Epoxy-2,6-dihydroxy-1(10),11(13)-germacradien-12,8-olide, Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046481	4,5-Epoxy-8,13-dihydroxy-1(10),7(11)-germacradien-12,6-olide, Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046482	4,6,9-Trihydroxy-1(10),2-guaiadien-12,8-olide, 6,9-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046483	4,8,13-Trihydroxy-7(11)-bourbonen-12,6-olide, 8,13-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046484	5-Tridecene-7,9,11-triyne-1,2-diol, 2-O-?-D-Glucopyranoside 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046485	6,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 14,15-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046486	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 3,4R-Epoxide, 6-(2-methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046487	8,10-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 10-Hydroperoxide, 8-(2-methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046488	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14,15-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046489	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8,14-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046490	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8,15-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046491	8,9,10-Trihydroxy-3,11(13)-guaiadien-12,6-olide, 8,9-Di-Ac 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046492	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046493	Ailanquassin A 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046494	Antibiotic LL-Z1640-2; 5,6-Dihydro 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046495	Antibiotic LL-Z1640-2; 7-Alcohol 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046496	Antibiotic LL-Z1640-2; 9-Epimer, 11,12-dihydro 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046497	Antibiotic LL-Z1640-2; 9-Epimer, 5E-isomer, 11,12-dihydro 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046498	Cedronolactone B 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046499	Eurycomalactone; 6?-Hydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046500	Gibberellin A16; 1-Epimer, 2?-hydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046501	Gibberellin A16; 13-Hydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046502	Gibberellin A1; 15?-Hydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046503	Gibberellin A20; 2?,15?-Dihydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046504	Gibberellin A3; 12?-Hydroxy, 1,2-dihydro 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046505	Gibberellin A49 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046506	Gibberellin A4; 2?,11?-Dihydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046507	Gibberellin A61; 2?,13-Dihydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046508	Gibberellin A8 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046509	Gibberellin A9; 1?,3?,12?-Trihydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046510	Inumakilactone E 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046511	Nagilactone A; 1-Deoxy, 2?,3?-dihydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046512	Nagilactone A; 2?-Hydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046513	Nagilactone A; 3?-Hydroxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046514	Nagilactone F; 3?,16-Dihydroxy, 7?,8?-epoxide 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046515	Polyandrol; 15-Deoxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046516	Polyandrol; 5-Epimer, 15-deoxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046517	Samaderine C 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046518	Tomentellin; ?3',9'-Isomer, 2'-hydroperoxy 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MJ046519	Vernopinguisolide 	C19H24O7	364.152203	NA	MeJP	NA	NA
+MetaCyc03209	GA8 [gibberellin A8;gibberellin A8;GA8;]	C19H24O7	364.152203	NA	metacyc	NA	NA
+PJ000564	SCR 	C12H24N6O5S	364.1529	NA	PeJP	NA	NA
+MJ046520	N-(Aminoiminomethyl)-8-(2-methoxyethoxy)-2-phenyl-4-quinolinecarboxamide 	C20H20N4O3	364.15354	NA	MeJP	NA	NA
+PJ000565	GSTT 	C13H24N4O8	364.1594	NA	PeJP	NA	NA
+MJ046521	Cinepazic acid 	C18H24N2O6	364.163436	NA	MeJP	NA	NA
+C16507	(10S)-Juvenile hormone III diol phosphate	C16H29O7P	364.1651	NA	KEGG	NA	NA
+MJ046522	2,3-Dihydro-1,4,9-trimethoxy-7-phenyl-1H-phenalene; 4'-Methoxy 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046523	3,3',5-Trihydroxy-2-(4-hydroxybenzyl)bibenzyl; 3,3'-Di-Me ether 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046524	Clusiachromene C 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046525	Clusiacitran A 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046526	Clusiacyclol A 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046527	Cudraphenone A 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046528	Cyclofenil 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046529	Drupanin; 4-O-(3-Phenylpropanoyl) 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046530	Isovismiaphenone B 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046531	Paralycolin A; 4-Me ether 	C23H24O4	364.167459	NA	MeJP	NA	NA
+MJ046532	Vismiaphenone B 	C23H24O4	364.167459	NA	MeJP	NA	NA
+C14345	Bisphenol A dimethacrylate	C23H24O4	364.1675	NA	KEGG	NA	NA
+PJ000566	AQF 	C17H24N4O5	364.1747	NA	PeJP	NA	NA
+7484	ACE inhibitor (fr, of as2-casein, 189-192)	AMPKPW	364.1772	MH2+	Inhouse_peptide	NA	peptide
+PJ000567	SKM 	C14H28N4O5S	364.1781	NA	PeJP	NA	NA
+MJ046533	?-Colubrine 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046534	Dehydrovoachalotine 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046535	Icajine 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046536	Pseudostrychnine; Me ether 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046537	Tribuzone 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046538	Vomilenine; Deoxy, 10-methoxy 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046539	?-Colubrine 	C22H24N2O3	364.178692	NA	MeJP	NA	NA
+MJ046540	Toxiferine VIII 	C22H25N2O3(+)	364.178692	NA	MeJP	NA	NA
+C12073	11-Methoxy-vinorine	C22H24N2O3	364.1787	NA	KEGG	NA	NA
+C14957	3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one	C21H29ClO3	364.1805	NA	KEGG	NA	NA
+C15023	19-Chloro-3beta-hydroxyandrost-5-en-17-one acetate	C21H29ClO3	364.1805	NA	KEGG	NA	NA
+MJ046541	Clogestone 	C21H29ClO3	364.180522	NA	MeJP	NA	NA
+MJ046542	Clostebol; Ac 	C21H29ClO3	364.180522	NA	MeJP	NA	NA
+MJ046543	Hydromadinone 	C21H29ClO3	364.180522	NA	MeJP	NA	NA
+MJ046544	Gibberellin 44 diacid 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046545	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046546	1,10-Epoxy-3,8-dihydroxy-4-germacren-12,6-olide, 8-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046547	1,2,11-Trihydroxy-4-eudesmen-12,6-olide, 11-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046548	1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046549	1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046550	1,4,11-Trihydroxy-2-eudesmen-12,6-olide, 11-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046551	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-(2-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046552	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4-Ketone, 14-(3-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046553	1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-(3-Methyl-2-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046554	1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046555	1,4,8-Trihydroxy-11(13)-eudesmen-12,6-olide, 8-O-Tigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046556	1,5,6,7,14-Vouacapanepentol, 1-Ketone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046557	1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046558	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046559	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046560	1,7,11,14-Tetrahydroxy-15-oxo-16-kauren-20-al 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046561	1,7,14,18,20-Pentahydroxy-16-kauren-15-one, 18-Aldehyde 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046562	1,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 1-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046563	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(3-Hydroxy-3-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046564	13,16-Epoxy-7,12-dihydroxy-6,14-dioxo-3-cleroden-15-al 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046565	13-Hydroxyingenol 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046566	14,15-Epoxy-7-hydroxy-3-cleroden-16,15-olid-18-oic acid 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046567	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046568	16-Hydroxyingenol 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046569	18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid, 18-Carboxylic acid 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046570	19,20-Epoxy-1,7,14,20-tetrahydroxy-16-kauren-15-one 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046571	2,3,8-Trihydroxy-2,3-seco-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046572	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Tigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046573	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 6-(3-Methylbutenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046574	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 6-Tigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046575	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046576	2,6,9-Trihydroxy-1(10),4,11-germacratrien-12,8-olide, 6-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046577	3,4,8-Trihydroxy-7(11)-eudesmen-12,8-olide, 3-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046578	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 1-(3-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046579	3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046580	3,4:18,19-Diepoxy-2,19-dihydroxy-13-cleroden-15,16-olide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046581	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3,7-Ditigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046582	3,5,7-Trihydroxy-p-menth-1-en-6-one, 5-Tigloyl, 3-angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046583	3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Me ether, 6-(2-methylpropanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046584	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046585	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Tigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046586	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046587	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Tigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046588	3,6,9-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046589	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-(2,3-Epoxy-2-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046590	3,8,10-Trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046591	4,5-Epoxy-3,8-dihydroxy-1(10)-germacren-12,6-olide, 8-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046592	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 9-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046593	4,7(11)-Muuroladiene-3,9,12-triol, 12-Formyl, 3,9-di-Ac 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046594	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046595	5,11-Epoxy-2,4-dihydroxy-12,8-guaianolide, 2-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046596	6,14-Dihydroxy-1,3,11(13)-elematrien-12,8-olide, 14-(2-Hydroxy-3-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046597	6,7,14,15-Tetrahydroxy-16-kauren-20,7-olide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046598	6,9,15-Trihydroxy-1,3,11(13)-elematrien-12,8-olide, 9-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046599	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 11?,13-Dihydro, 6-(2-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046600	6-Hydroxyisochilolide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046601	6-Hydroxysecomacrolide, 6-(3-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046602	6-Hydroxysecomacrolide, 8-Epimer, 6-(3-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046603	7,11,12,14,18-Pentahydroxy-16-kauren-15-one, 11-Ketone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046604	7,12,14-Trihydroxy-15-oxo-16-kauren-18-al, 18-Carboxylic acid 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046605	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046606	7,20-Epoxy-1,6,7,14-tetrahydroxy-16-kauren-15-one 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046607	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 15-Ketone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046608	7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol, 15-Ketone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046609	7,20-Epoxy-6,7,14,18-tetrahydroxy-16-kauren-15-one 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046610	7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046611	8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046612	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046613	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046614	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046615	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046616	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046617	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046618	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-methylenebutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046619	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046620	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046621	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(2,3-Dihydroxy-2-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046622	9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-(3-Methyl-2-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046623	9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-Angeloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046624	9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-Tigloyl 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046625	9,10-Epoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methyl-2-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046626	9,10-Epoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046627	9,13:15,16-Diepoxy-15-hydroxy-3-oxo-19,6-labdanolide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046628	Amarolide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046629	Annonalide; 15?-Alcohol 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046630	Azoricin 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046631	Castelanolide 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046632	Chaparrolide; 1-Ketone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046633	Chaparrolide; 2-Ketone, 1,12-diepimer 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046634	Cinncassiol A; 19-Deoxy, 1-ketone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046635	Cinncassiol C1; 19-Deoxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046636	Coetsoidin C; 6?-Hydroxy, 20-epimer, O-de-Me 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046637	Coetsoidin C; 6?-Hydroxy, O-de-Me 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046638	Excoecarin M 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046639	Furanoeudesmane-3,4,6-triol, 3-(2,3-Epoxy-2-methylbutanoyl) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046640	Gelomulolide I 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046641	Gibberellin A53; 12?-Hydroxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046642	Gibberellin A53; 15?-Hydroxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046643	Gibberellin A53; 2?-Hydroxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046644	Gibberellin A53; 3?-Hydroxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046645	Gibberellin A74 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046646	Helioxenicin C 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046647	Hymenoratin D 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046648	Klaineanone 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046649	Longirabdolide A 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046650	Longirabdolide B 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046651	Melicopol; 4-Me ether 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046652	Nepetaefolinol 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046653	Nodosin; 11-Epimer, 15?-alcohol 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046654	Ponicidin; 16?,17-Dihydro 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046655	Rabdosichuanin C 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046656	Sculponeatin D; 11,19-Dideoxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046657	Secobriarellin 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046658	Secomacrotolide; 6?-(3-Methylbutanoyloxy) 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MJ046659	Trichorabdonin; 16-Deoxy 	C20H28O6	364.188588	NA	MeJP	NA	NA
+MetaCyc03210	GA44 [gibberellin A44;gibberellin A44;GA44;GA44 open lactone form;gibberellin A44 open lactone form;GA44 free alcohol form;gibberellin A44 free alcohol form;]	C20H28O6	364.188589	NA	metacyc	NA	NA
+MetaCyc03211	GA37 [gibberellin A37;gibberellin A37;GA37;]	C20H28O6	364.188589	NA	metacyc	NA	NA
+MetaCyc03212	GA97 [gibberellin A97;gibberellin A97;GA97;]	C20H28O6	364.188589	NA	metacyc	NA	NA
+C06095	Gibberellin A44 diacid	C20H28O6	364.1886	NA	KEGG	NA	NA
+C09155	Phorbol	C20H28O6	364.1886	NA	KEGG	NA	NA
+C09178	Resiniferonol	C20H28O6	364.1886	NA	KEGG	NA	NA
+C09414	Eriolangin	C20H28O6	364.1886	NA	KEGG	NA	NA
+C09535	Pycnolide	C20H28O6	364.1886	NA	KEGG	NA	NA
+C11859	Gibberellin A37 open lactone	C20H28O6	364.1886	NA	KEGG	NA	NA
+C17642	Cinncassiol C2	C20H28O6	364.1886	NA	KEGG	NA	NA
+MJ046660	Pelanserin 	C21H24N4O2	364.189926	NA	MeJP	NA	NA
+MJ046661	4-[6-(2-Chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole 	C20H29ClN2O2	364.191755	NA	MeJP	NA	NA
+MJ046662	1,18-Diisothiocyanato-1,17-octadecadiene 	C20H32N2S2	364.20069	NA	MeJP	NA	NA
+MJ046663	N-[[2-Methoxy-5-(1H-tetrazol-1-yl)phenyl]methyl]-2-phenyl-3-piperidinamine 	C20H24N6O	364.201159	NA	MeJP	NA	NA
+MJ046664	3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046665	4-Geranyl-3,4',5-trihydroxystilbene 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046666	4-[3-(3,5-Di-tert-butylphenyl)-3-oxo-1-propenyl]benzoic acid 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046667	5-Hydroxy-7-[2-(4-hydroxyphenyl)ethyl]-6-(3-methyl-2-butenyl)-2H-1-benzopyran 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046668	5-Hydroxy-7-[2-(4-hydroxyphenyl)ethyl]-8-(3-methyl-2-butenyl)-2H-1-benzopyran 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046669	Chiricanin D 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046670	Chiricanin E 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046671	Ferprenin 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046672	Spirorenone 	C24H28O3	364.203844	NA	MeJP	NA	NA
+MJ046673	Flugestone 	C21H29FO4	364.204987	NA	MeJP	NA	NA
+C15172	6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione	C21H29FO4	364.205	NA	KEGG	NA	NA
+C15380	9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione	C21H29FO4	364.205	NA	KEGG	NA	NA
+2584	tenecin-1 (34-42)	CNGKRVCVCG	364.20795	MH2+	Inhouse_peptide	NA	peptide
+PJ000568	AKF 	C18H28N4O4	364.2111	NA	PeJP	NA	NA
+MJ046674	Cylindricine H 	C20H32N2O2S	364.218448	NA	MeJP	NA	NA
+MJ046675	Cylindricine J 	C20H32N2O2S	364.218448	NA	MeJP	NA	NA
+MJ046676	11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046677	11beta,17alpha,21-Trihydroxypregnenolone 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046678	3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046679	Urocortisone 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046680	1,20-Epoxy-1,3(20),10,14-phytatetraene-18,19-dioic acid, 10,11-Dihydro, 18-Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046681	11,17,20,21-Tetrahydroxypregn-4-en-3-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046682	11,17,21-Trihydroxypregnane-3,20-dione 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046683	15,16-Epoxy-3,14,15-trihydroxy-15,16-secopregn-5-en-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046684	15,16-Epoxy-4,6-dihydroxy-13(16),14-clerodadien-18-oic acid, Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046685	2,4,6-Trihydroxy-3,5-diprenylacetophenone; 2'',3''-Dihydro, 1''?-ethoxy, 2-Me ether 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046686	2-Oxo-3-clerodene-15,18-dioic acid, 18-Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046687	3,11,12,14-Tetrahydroxypregn-5-en-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046688	3,12,14,17-Tetrahydroxypregn-5-en-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046689	3,12,19-Trihydroxy-8(17),13-labdadien-16,15-olide, 12-Me ether 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046690	3,14,16,17-Tetrahydroxypregn-5-en-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046691	3,14,17,21-Tetrahydroxypregn-5-en-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046692	3,15-Dihydroxy-4,6,8,14-tetramethyl-5,9-dioxo-10,12-heptadecadienoic acid; 1,15-Lactone 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046693	3,17,21-Trihydroxypregnane-11,20-dione 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046694	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 10'S-Methoxy 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046695	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 11'-Hydroxy, 6-Me ether 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046696	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 6'-Hydroxy, 6-Me ether 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046697	3,8,12,14-Tetrahydroxypregn-5-en-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046698	5,16-Dihydroxy-12-oxo-13-cassen-19-oic acid; 5?-form, Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046699	5-Tridecyl-1,3-benzenediol; 2'?-Acetoxy, 8'-oxo 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046700	6,7-Dihydroxy-2-oxo-3,13-clerodadien-15-oic acid, Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046701	6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 12'-Deoxy, 2'-ketone, 4-Me ether 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046702	6-Hydroxy-13-cleroden-15,16-olid-18-oic acid, Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046703	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046704	8,17:14,15-Diepoxy-3-hydroxy-12-labden-16-oic acid, Me ester 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046705	9,13-Epoxy-6-hydroxy-7-labden-15-oic acid, 6-Formyl 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046706	ACTG Toxin C 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046707	Brassicene C; 12?-Hydroxy 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046708	Citricolic acid 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046709	Florlide A; 11-Me ether 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046710	Galbonolide B 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046711	Galbonolide C 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046712	Mycinamycin VI; Aglycone 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046713	Neorustmicin 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046714	Penprostene 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046715	Pregnane-3,6,16,17,20-pentol, 6,16-Diketone 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046716	Tenacigenin A 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046717	Umbraculumin A 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MJ046718	Umbraculumin B 	C21H32O5	364.224974	NA	MeJP	NA	NA
+MetaCyc03213	urocortisone []	C21H32O5	364.224974	NA	metacyc	NA	NA
+HMDB00903	Tetrahydrocortisone	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB03259	Dihydrocortisol	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB06753	3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB06754	11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB06760	11b,17a,21-Trihydroxypreg-nenolone	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB12460	11b,17a,21-Trihydroxy-5b-pregnane-3,20-dione	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB13157	18-Hydroxy-11-dehydrotetrahydrocorticosterone	C21H32O5	364.224976	NA	HMDB2010	NA	NA
+HMDB00903	Tetrahydrocortisone	C21H32O5	364.22498	http://www.hmdb.ca/metabolites/HMDB00903	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00903	Tetrahydrocortisone	C21H32O5	364.22498	http://www.hmdb.ca/metabolites/HMDB00903	HMDB	NA	NA
+HMDB03259	Dihydrocortisol	C21H32O5	364.22498	http://www.hmdb.ca/metabolites/HMDB03259	HMDB	NA	NA
+HMDB06753	3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al	C21H32O5	364.22498	http://www.hmdb.ca/metabolites/HMDB06753	HMDB	NA	NA
+HMDB06760	11beta,17alpha,21-Trihydroxypreg-nenolone	C21H32O5	364.22498	http://www.hmdb.ca/metabolites/HMDB06760	HMDB	NA	NA
+HMDB00903	Tetrahydrocortisone	C21H32O5	364.22498	http://www.hmdb.ca/metabolites/HMDB00903	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00903	Tetrahydrocortisone	C21H32O5	364.22498	HMDB00903	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03259	Dihydrocortisol	C21H32O5	364.22498	HMDB03259	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06753	3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al	C21H32O5	364.22498	HMDB06753	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06760	11beta,17alpha,21-Trihydroxypreg-nenolone	C21H32O5	364.22498	HMDB06760	PFEM_hmdb_metabocards_official	NA	NA
+C05470	Tetrahydrocortisone	C21H32O5	364.225	NA	KEGG	NA	NA
+C05471	11beta,17alpha,21-Trihydroxy-5beta-pregnane-3,20-dione	C21H32O5	364.225	NA	KEGG	NA	NA
+C05474	3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al	C21H32O5	364.225	NA	KEGG	NA	NA
+C05489	11beta,17alpha,21-Trihydroxypregnenolone	C21H32O5	364.225	NA	KEGG	NA	NA
+MJ046719	Furomine 	C20H32N2O4	364.236207	NA	MeJP	NA	NA
+MJ046720	Neovasipyridone; N-(3-Carbamoylpropyl) 	C20H32N2O4	364.236207	NA	MeJP	NA	NA
+C07619	Quinestrol	C25H32O2	364.2402	NA	KEGG	NA	NA
+MJ046721	Ethinylestradiol; 3-Cyclopentyl ether 	C25H32O2	364.24023	NA	MeJP	NA	NA
+MJ046722	2,3-Dihydro-2,4,6,7-tetramethyl-2-[(4-phenyl-1-piperidinyl)methyl]-5-benzofuranamine 	C24H32N2O	364.251463	NA	MeJP	NA	NA
+MJ046723	1,3a,4,5,6,6a-Hexahydro-5-hydroxy-6-(4-hydroxy-4-methyl-1-octenyl)-2-pentalenepentanoic acid 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046724	1,6,10,14-Phytatetraene-3,5-diol, 13-Acetoxy 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046725	1,6,10,14-Phytatetraene-3,5-diol, 9-Acetoxy 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046726	1-(2,4,6-Trihydroxyphenyl)-1-hexadecanone 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046727	11,15-Dihydroxy-16,16-dimethyl-9-oxo-5,13-prostadienoic acid, 11-Deoxy 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046728	12,14-Labdadiene-6,7,8-triol, 7-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046729	12,14-Labdadiene-6,7,8-triol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046730	12,14-Labdadiene-6,7,8-triol, 7-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046731	12,14-Labdadiene-6,7,8-triol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046732	13(16),14-Labdadiene-3,6,8-triol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046733	13(16),14-Labdadiene-6,8,18-triol, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046734	13(16),14-Labdadiene-6,8,18-triol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046735	15,19-Dihydroxy-13-labden-7-one, 19-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046736	15-Hydroxy-1(10)-halimen-18-oic acid, Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046737	15-Isopimarene-3,7,8-triol, 3-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046738	15-Isopimarene-6,8,11-triol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046739	15-Isopimarene-7,8,18-triol, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046740	15-Isopimarene-8,11,12-triol, 11-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046741	15-Isopimarene-8,11,12-triol, 12-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046742	15-Pimarene-9,17,18-triol; 9?-form, 17-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046743	2,4-Dihydroxy-6-pentadecylbenzoic acid 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046744	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 5-Me ether 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046745	2,6,10,14-Phytatetraene-1,12,19-triol, 1-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046746	2,6,10,14-Phytatetraene-1,12,19-triol, 12-Ketone, 10,11-dihydro, 19-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046747	2,6,10,14-Phytatetraene-1,17,18-triol, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046748	2,6,10,14-Phytatetraene-1,18,19-triol, 19-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046749	2,6,10,14-Phytatetraene-1,19,20-triol, 19-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046750	2,6-Dolabelladiene-8,10,18-triol, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046751	2,7-Dolabelladiene-5,10,18-triol, 5-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046752	2,7-Dolabelladiene-6,10,18-triol, 10-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046753	2,7-Dolabelladiene-6,10,18-triol, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046754	2,9,13-Verrucosanetriol, 9-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046755	3(11),16-Sphenolobadiene-4,13,18-triol; 4-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046756	3,16,17-Atisanetriol, 3-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046757	3,16,17-Kauranetriol, 3-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046758	3,16,17-Phyllocladanetriol, 3-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046759	3,5-Dimethyl-5-(7,9,12-pentadecatrienyl)-1,2-dioxolane-3-acetic acid 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046760	3,7-Dolabelladiene-6,12-diol, 16-Hydroxy, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046761	3,7-Dolabelladiene-9,12-diol, 7?,8?-Epoxide, 9-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046762	3-Clerodene-15,18-diol, 15-Carboxylic acid, Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046763	3-Hexadecyl-2,5-dihydroxy-1,4-benzoquinone 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046764	4(18)-Erythroxylene-11,15,16-triol, 11-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046765	4,8(19)-Xeniaphylladiene-14,15-diol; 4,5-Epoxide, 14-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046766	5-Halimene-15,18-diol, 15-Carboxylic acid, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046767	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 3-Me ether 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046768	6,16,17-Kauranetriol, 17-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046769	6,16,17-Kauranetriol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046770	6,7:18,19-Diepoxy-1(9),13-xenicadiene-18,19-diol; Di-Me ether 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046771	7,13-Labdadiene-2,15,19-triol, 19-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046772	7,13-Labdadiene-2,3,15-triol, 15-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046773	7,16,17-Kauranetriol, 7-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046774	7,8-Epoxy-3,11-cembradiene-10,15-diol; 10-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046775	7-Labdene-15,17-diol, 17-Carboxylic acid, 15-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046776	7-Labdene-3,15-diol, 3,15-Diformyl 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046777	8(17),13-Labdadiene-7,15,19-triol, 19-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046778	8(17)-Labdene-15,18-diol, 15-Carboxylic acid, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046779	8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046780	8(17)-Labdene-2,15-diol, 15-Carboxylic acid, 2-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046781	8(17)-Labdene-3,15-diol, 15-Carboxylic acid, 3-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046782	8(17)-Labdene-6,15-diol, 15-Carboxylic acid, Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046783	8(17)-Labdene-7,15-diol, 15-Carboxylic acid, Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046784	8,10,13(15)-Lobatriene-14,17,18-triol, 14-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046785	8,11-Epoxy-1,3-cembradiene-7,12-diol, 7-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046786	8,12-Epoxy-13-labdene-15,16-diol, 16-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046787	8,13-Epoxy-14-labden-16-ol, 14?,15-Epoxide, 16-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046788	8,13-Epoxy-14-labdene-1,18-diol, 18-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046789	8,13-Epoxy-14-labdene-3,12-diol, 12-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046790	8,13-Epoxy-14-labdene-3,12-diol, 3-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046791	8,13-Epoxy-14-labdene-3,7-diol, 7-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046792	8,14-Labdadiene-6,7,13-triol, 6-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046793	Ciprostene 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046794	Crenulacetal A 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046795	Delactonmycin 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046796	Pachytriol; 20-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046797	Sarcotol; 10?-Alcohol, 11-aldehyde, 10-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046798	Sarcotol; 11-Ac 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046799	Solandelactone G; 11-Deoxy, ?11,12-isomer, 5,6,19,20-tetrahydro, 13-hydroxy 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046800	Solandelactone G; 11-Epimer, 5,6,19,20-tetrahydro 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046801	Solandelactone G; 5,6,19,20-Tetrahydro 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046802	Solenopodin A 	C22H36O4	364.261359	NA	MeJP	NA	NA
+MJ046803	Carbizocaine 	C21H36N2O3	364.272593	NA	MeJP	NA	NA
+MJ046804	3-(14-Phenyl-8-tetradecenyl)phenol 	C26H36O	364.276615	NA	MeJP	NA	NA
+MJ046805	1-(3,5-Dimethylphenyl)-3,5,7-pentadecanetriol 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046806	2,6,10,14-Phytatetraen-1-ol, O-(2,3-Dihydroxypropyl)(R-) 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046807	3-Methyl-5-pentyl-2-furantridecanoic acid 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046808	4-(10-Heptadecenyl)-4,6-dihydroxy-2-cyclohexen-1-one 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046809	4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046810	5-(8-Heptadecenyl)-4,5-dihydroxy-2-cyclohexen-1-one 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046811	5-Hexadecyl-2-furanacetic acid; Me ester 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046812	6-Pentadecyl-1,2,4-benzenetriol; 1,2-Di-Me ether 	C23H40O3	364.297745	NA	MeJP	NA	NA
+MJ046813	6-Pentadecyl-1,2,4-benzenetriol; 2,4-Di-Me ether 	C23H40O3	364.297745	NA	MeJP	NA	NA
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR402	25-hydroxy vitamin D F2	NA	364.314375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR402	25-hydroxy vitamin D F2	NA	364.314375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR402	25-hydroxy vitamin D F2	NA	364.314375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR402	25-hydroxy vitamin D F2	NA	364.314375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR402	25-hydroxy vitamin D F2	F2	364.314375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ046814	13,17-Tetracosadienoic acid 	C24H44O2	364.33413	NA	MeJP	NA	NA
+MJ046815	5,9-Tetracosadienoic acid 	C24H44O2	364.33413	NA	MeJP	NA	NA
+MJ046816	19-Pentacosenoic acid, Aldehyde 	C25H48O	364.370516	NA	MeJP	NA	NA
+MJ046817	3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol 	C25H48O	364.370516	NA	MeJP	NA	NA
+MJ046818	1-Hexacosene 	C26H52	364.406901	NA	MeJP	NA	NA
+3631	NA	YPFGFT~	364.6675	MH2+	Inhouse_peptide	NA	peptide
+8119	peptide derived from giant squid muscle (Dosidicus gigas)	NGLEGLK	364.69445	MH2+	Inhouse_peptide	NA	peptide
+2630	synthetic fr,of human beta-CN (47-52) ACE inhibitor	QPLIYP	364.6965	MH2+	Inhouse_peptide	NA	peptide
+MJ046819	2,3,5-Tribromo-1H-indole; N-Me 	C9H6Br3N	364.805037	NA	MeJP	NA	NA
+MJ046820	2,3,6-Tribromo-1H-indole; N-Me 	C9H6Br3N	364.805037	NA	MeJP	NA	NA
+MJ046821	4,6-Dibromo-2,3-bis(methylthio)-1H-indole 	C10H9Br2NS2	364.854315	NA	MeJP	NA	NA
+MJ046822	Brocrinat 	C15H9BrFNO4	364.969898	NA	MeJP	NA	NA
+MJ046823	1-Amino-1-deoxyglucitol, N-Me; antimonate 	C7H18NO8Sb	365.007059	NA	MeJP	NA	NA
+MJ046824	Nifursol 	C12H7N5O9	365.024376	NA	MeJP	NA	NA
+MJ046825	N-[(7-Fluoro-9-oxo-9H-xanthen-2-yl)sulfonyl]-N-methylglycine 	C16H12FNO6S	365.036936	NA	MeJP	NA	NA
+MJ046826	N-(4-Bromophenyl)-2,2-diphenylacetamide 	C20H16BrNO	365.041526	NA	MeJP	NA	NA
+MJ046827	Luxabendazole 	C15H12FN3O5S	365.048169	NA	MeJP	NA	NA
+MJ046828	Indapamide 	C16H16ClN3O3S	365.060089	NA	MeJP	NA	NA
+MJ046829	Metolazone 	C16H16ClN3O3S	365.060089	NA	MeJP	NA	NA
+MJ046830	Zidapamide 	C16H16ClN3O3S	365.060089	NA	MeJP	NA	NA
+MJ046831	Itazigrel 	C18H14F3NO2S	365.069734	NA	MeJP	NA	NA
+MJ046832	Atpenin; Atpenin A5, 5'-Chloro 	C15H21Cl2NO5	365.079678	NA	MeJP	NA	NA
+MJ046833	Phenithionate 	C19H15N3O3S	365.083412	NA	MeJP	NA	NA
+C14862	2-S-Glutathionyl acetate	C12H19N3O8S	365.0893	NA	KEGG	NA	NA
+PJ000569	CDE 	C12H19N3O8S	365.0893	NA	PeJP	NA	NA
+C06629	6-Methylpretetramide	C20H15NO6	365.0899	NA	KEGG	NA	NA
+MJ046834	6-Methylpretetramide 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046835	4,5-Dioxodehydrocrebanine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046836	Corydione 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046837	Densiflorine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046838	Henderine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046839	Integriamide 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046840	Kuafumine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046841	Laurodionine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046842	Oxobaicaline 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046843	Oxophoebine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046844	Thalicminine 	C20H15NO6	365.089937	NA	MeJP	NA	NA
+MJ046845	11-Hydroxy-12-methoxycoptisine 	C20H16NO6(+)	365.089937	NA	MeJP	NA	NA
+CJpos0778	1-methyluric acid [(2M+H)]+ (13C)	C1113CH13N8O6	365.090775	C18rt(min)=4.07 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0778	1-methyluric acid [(2M+H)]+ (13C)	C1113CH13N8O6	365.090775	C18rt(min)=4.07 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0562	1-methyluric acid [(2M-H)]- (13C)	C1113CH11N8O6	365.091925	C18rt(min)=4.07 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0562	1-methyluric acid [(2M-H)]- (13C)	C1113CH11N8O6	365.091925	C18rt(min)=4.07 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ046846	Clinafloxacin 	C17H17ClFN3O3	365.094247	NA	MeJP	NA	NA
+MJ046847	Griseolic acid; 4'?,5'-Dihydro, 7'-deoxy 	C14H15N5O7	365.097147	NA	MeJP	NA	NA
+C06827	Amoxicillin	C16H19N3O5S	365.1045	NA	KEGG	NA	NA
+C06828	Transferred to D00230	C16H19N3O5S	365.1045	NA	KEGG	NA	NA
+C06829	Transferred to D00231	C16H19N3O5S	365.1045	NA	KEGG	NA	NA
+C08099	Cephalexin monohydrate	C16H17N3O4S	365.1045	NA	KEGG	NA	NA
+C12979	Cefroxadine	C16H19N3O5S	365.1045	NA	KEGG	NA	NA
+C12980	Transferred to D01529	C16H19N3O5S	365.1045	NA	KEGG	NA	NA
+MJ046848	Amoxicillin 	C16H19N3O5S	365.104541	NA	MeJP	NA	NA
+MJ046849	Cefroxadine 	C16H19N3O5S	365.104541	NA	MeJP	NA	NA
+MJ046850	Karnamicin B1 	C16H19N3O5S	365.104541	NA	MeJP	NA	NA
+MJ046851	Ethyl 4-[2-(difluoromethoxy)phenyl]-1,4,5,7-tetrahydro-2-methyl-5-oxofuro[3,4-b]pyridine-3-carboxylate 	C18H17F2NO5	365.107479	NA	MeJP	NA	NA
+C13761	CGP 28-392	C18H17F2NO5	365.1075	NA	KEGG	NA	NA
+MJ046852	3-[(4-Aminophenyl)sulfonyl]-1,3-diphenyl-1-propanone 	C21H19NO3S	365.108564	NA	MeJP	NA	NA
+CJneg0563	Hydroxyphenyllactic acid [(2M-H)]- (13C)	C1713CH19O8	365.119725	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0563	Hydroxyphenyllactic acid [(2M-H)]- (13C)	C1713CH19O8	365.119725	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000570	SEM 	C13H23N3O7S	365.1257	NA	PeJP	NA	NA
+MJ046853	8-Hydroxydihydrochelerythrine 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046854	Bocconoline; O9-De-Me 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046855	Corynoloxine 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046856	Didehydroocoteine 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046857	Hediamine 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046858	Isomurralonginol; O-(3-Pyridinecarbonyl) 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046859	Thalicsine 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046860	Thaliglucinone 	C21H19NO5	365.126322	NA	MeJP	NA	NA
+MJ046861	1-Methoxyberberine 	C21H20NO5(+)	365.126322	NA	MeJP	NA	NA
+HMDB02278	 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	C14H23NO10	365.1322	http://www.hmdb.ca/metabolites/HMDB02278	HMDB	NA	NA
+HMDB02282	2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	C14H23NO10	365.1322	http://www.hmdb.ca/metabolites/HMDB02282	HMDB	NA	NA
+HMDB02278	 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	C14H23NO10	365.1322	HMDB02278	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02282	2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	C14H23NO10	365.1322	HMDB02282	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02278	2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	C14H23NO10	365.132202	NA	HMDB2010	NA	NA
+HMDB02282	2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol	C14H23NO10	365.132202	NA	HMDB2010	NA	NA
+C17951	N-Acetylbialaphos	C13H24N3O7P	365.1352	NA	KEGG	NA	NA
+MJ046862	Anisotine; 3-Hydroxy 	C20H19N3O4	365.137556	NA	MeJP	NA	NA
+MJ046863	Leucettamine A 	C20H19N3O4	365.137556	NA	MeJP	NA	NA
+PJ000571	PCF 	C17H23N3O4S	365.1409	NA	PeJP	NA	NA
+MJ046864	Picotrin 	C25H19NO2	365.141578	NA	MeJP	NA	NA
+PJ000572	CLM 	C14H27N3O4S2	365.1443	NA	PeJP	NA	NA
+7559	ACE inhibitor from buckwheat	PSY	365.147	antioxidative	Inhouse_peptide	NA	peptide
+MJ046865	Adonifoline 	C18H23NO7	365.147452	NA	MeJP	NA	NA
+MJ046866	Erucifoline; N-Oxide 	C18H23NO7	365.147452	NA	MeJP	NA	NA
+MJ046867	Grantianine 	C18H23NO7	365.147452	NA	MeJP	NA	NA
+MJ046868	Seneciocannabine 	C18H23NO7	365.147452	NA	MeJP	NA	NA
+MJ046869	Periciazine 	C21H23N3OS	365.156183	NA	MeJP	NA	NA
+MJ046870	Cathestatin B 	C17H23N3O6	365.158685	NA	MeJP	NA	NA
+PJ000573	SPY 	C17H23N3O6	365.1587	NA	PeJP	NA	NA
+MJ046871	5,7-Dihydroxy-8-(2-piperidinyl)flavone; O5,N-Di-Me 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046872	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, Dibenzoyl 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046873	Isotylocrebrine, 3,6-Di-O-de-Me 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046874	Nequinate 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046875	Ochotensine, Me ether 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046876	Tylophorinidine 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046877	Tylophorinine, O-De-Me 	C22H23NO4	365.162708	NA	MeJP	NA	NA
+MJ046878	Dehydrocorydaline 	C22H24NO4(+)	365.162708	NA	MeJP	NA	NA
+MJ046879	Thaliglucinone; Deoxo, N-Me 	C22H24NO4(+)	365.162708	NA	MeJP	NA	NA
+MJ046880	Ethyl(3-methoxybenzyl)dimethylammonium(1+); 4-Methylbenzenesulfonyl 	C19H27NO4S	365.166079	NA	MeJP	NA	NA
+MJ046881	Revatropate 	C19H27NO4S	365.166079	NA	MeJP	NA	NA
+MJ046882	Timegadine 	C20H23N5S	365.167416	NA	MeJP	NA	NA
+C07174	Trimethaphan	C22H25N2OS	365.1688	NA	KEGG	NA	NA
+MJ046883	1'-Methylzeatin, 9-?-D-Ribofuranosyl 	C16H23N5O5	365.169918	NA	MeJP	NA	NA
+MJ046884	Antibiotic KF 77AG6 	C16H23N5O5	365.169918	NA	MeJP	NA	NA
+MetaCyc03214	isopentenyladenine-9-N-glucoside []	C16H23N5O5	365.169919	NA	metacyc	NA	NA
+MetaCyc03215	isopentenyladenine-7-N-glucoside []	C16H23N5O5	365.169919	NA	metacyc	NA	NA
+MJ046885	Phosalacine 	C14H28N3O6P	365.171572	NA	MeJP	NA	NA
+MJ046886	Austamide; 12S,13-Dihydro 	C21H23N3O3	365.173941	NA	MeJP	NA	NA
+MJ046887	Brevianamide A 	C21H23N3O3	365.173941	NA	MeJP	NA	NA
+MJ046888	Brevianamide C 	C21H23N3O3	365.173941	NA	MeJP	NA	NA
+C17582	2'-N-Acetylparomamine	C14H27N3O8	365.1798	NA	KEGG	NA	NA
+C10396	Senkirkine	C19H27NO6	365.1838	NA	KEGG	NA	NA
+MJ046889	Crotaverrine 	C19H27NO6	365.183837	NA	MeJP	NA	NA
+MJ046890	Emiline 	C19H27NO6	365.183837	NA	MeJP	NA	NA
+MJ046891	Harzianic acid 	C19H27NO6	365.183837	NA	MeJP	NA	NA
+MJ046892	Schizanthine G 	C19H27NO6	365.183837	NA	MeJP	NA	NA
+MJ046893	Senkirkine 	C19H27NO6	365.183837	NA	MeJP	NA	NA
+3558	ACE inhibitor	LAY	365.184	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ046894	Trazolopride 	C20H23N5O2	365.185175	NA	MeJP	NA	NA
+8027	synthetic peptide	PHI	365.194	antibacterial	Inhouse_peptide	NA	peptide
+8029	synthetic peptide	PHL	365.194	antibacterial	Inhouse_peptide	NA	peptide
+PJ000574	ALY 	C18H27N3O5	365.1951	NA	PeJP	NA	NA
+MJ046895	1-[12-(3,4-Methylenedioxyphenyl)-2,4,9,11-dodecatetraenoyl]pyrrolidine 	C23H27NO3	365.199093	NA	MeJP	NA	NA
+MJ046896	Aegle marmelos Alkaloid C 	C23H27NO3	365.199093	NA	MeJP	NA	NA
+MJ046897	Etabenzarone 	C23H27NO3	365.199093	NA	MeJP	NA	NA
+MJ046898	Euchrestine C; 2',3'-Epoxide 	C23H27NO3	365.199093	NA	MeJP	NA	NA
+MJ046899	Hispidine 	C23H27NO3	365.199093	NA	MeJP	NA	NA
+MJ046900	Leporin A 	C23H27NO3	365.199093	NA	MeJP	NA	NA
+PJ000575	PLH 	C17H27N5O4	365.2063	NA	PeJP	NA	NA
+MJ046901	Caroverine 	C22H27N3O2	365.210327	NA	MeJP	NA	NA
+MJ046902	Omidoline 	C22H27N3O2	365.210327	NA	MeJP	NA	NA
+MJ046903	Kalihinol Y 	C21H32ClNO2	365.212156	NA	MeJP	NA	NA
+MJ046904	Kalihipyran A; 15,16-Dihydro, 15-chloro 	C21H32ClNO2	365.212156	NA	MeJP	NA	NA
+MJ046905	Brefeldin A; 7-(N,N-Dimethylaminoacetyl) 	C20H31NO5	365.220223	NA	MeJP	NA	NA
+MJ046906	Lycofawcine; O8-Ac 	C20H31NO5	365.220223	NA	MeJP	NA	NA
+MJ046907	Antibiotic Ro 09-1547; 4-Me ether, 3-O-(dimethylaminoacetyl) 	C21H35NO4	365.256608	NA	MeJP	NA	NA
+MJ046908	2-Pentadecyl-4(1H)-quinolinone; 6',7',9',10'-Tetradehydro, N-Me (Z,Z-) 	C25H35NO	365.271864	NA	MeJP	NA	NA
+MJ046909	Spirofornabuxine 	C25H35NO	365.271864	NA	MeJP	NA	NA
+MJ046910	Conioidine A 	C22H39NO3	365.292994	NA	MeJP	NA	NA
+MJ046911	12-Oxooctadecanoic acid; Piperidide 	C23H43NO2	365.329379	NA	MeJP	NA	NA
+MJ046912	Trichonine, Tetrahydro 	C24H47NO	365.365765	NA	MeJP	NA	NA
+MJ046913	4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone, 1'-Deiodo, 1'-bromo, Ac 	C11H12Br2O4	365.910234	NA	MeJP	NA	NA
+MJ046914	Salvarsan 	C12H12As2N2O2	365.93307	NA	MeJP	NA	NA
+MJ046915	2,2',6,6'-Tetrachloro-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether 	C14H10Cl4O3	365.938405	NA	MeJP	NA	NA
+FL3FACNSS001	Luteolin 7-sulfate	C15H10O9S	366.00455	56857-57-9	knapsack	NA	NA
+FL3FACNSS002	Luteolin 3'-sulfate	C15H10O9S	366.00455	59176-61-3	knapsack	NA	NA
+FL3FACNSS003	Luteolin 4'-sulfate	C15H10O9S	366.00455	60889-07-8	knapsack	NA	NA
+FL5FAANSS001	Kaempferol 3-O-sulfate	C15H10O9S	366.00455	62369-24-8	knapsack	NA	NA
+FL5FAANSS002	Kaempferol 7-O-sulfate	C15H10O9S	366.00455	56857-59-1	knapsack	NA	NA
+FL5FAANSS005	Kaempferol 8-C-sulfate;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-sulfonic acid	C15H10O9S	366.00455	760157-61-7	knapsack	NA	NA
+MJ046916	3',4',5,7-Tetrahydroxyflavone; 3'-O-Sulfate 	C15H10O9S	366.004552	NA	MeJP	NA	NA
+MJ046917	3',4',5,7-Tetrahydroxyflavone; 4'-O-Sulfate 	C15H10O9S	366.004552	NA	MeJP	NA	NA
+MJ046918	3',4',5,7-Tetrahydroxyflavone; 7-O-Sulfate 	C15H10O9S	366.004552	NA	MeJP	NA	NA
+MJ046919	3,4',5,7-Tetrahydroxyflavone-8-sulfonic acid 	C15H10O9S	366.004552	NA	MeJP	NA	NA
+MJ046920	3,4',5,7-Tetrahydroxyflavone; 3-O-Sulfate 	C15H10O9S	366.004552	NA	MeJP	NA	NA
+MJ046921	3,4',5,7-Tetrahydroxyflavone; 7-O-Sulfate 	C15H10O9S	366.004552	NA	MeJP	NA	NA
+MJ046922	3-Bromo-4-hydroxy-?-(hydroxyimino)-N-[2-(1H-imidazol-4-yl)ethyl]benzenepropanamide 	C14H15BrN4O3	366.032753	NA	MeJP	NA	NA
+MJ046923	Cassiapyrone; 10-O-Sulfate 	C16H14O8S	366.040938	NA	MeJP	NA	NA
+MJ046924	2,10-Dichloro-12-methyl-12H-dibenzo[d,g][1,3]dioxocin-6-carboxylic acid; trans-form, Et ester 	C18H16Cl2O4	366.042564	NA	MeJP	NA	NA
+JH056	Coumaric acid (p-) [2M+K]+	NA	366.05058	13.89	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH056	Coumaric acid (p-) [2M+K]+	NA	366.05058	13.89	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH056	Coumaric acid (p-) [2M+K]+	NA	366.05058	13.89	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH056	Coumaric acid (p-) [2M+K]+	NA	366.05058	13.89	Inhousejuil11	NA	NA
+HMDB03201	Malvidin	C17H15ClO7	366.050629	NA	HMDB2010	NA	NA
+MJ046925	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 3'-Chloro, 6-Me ether, Me ester 	C17H15ClO7	366.05063	NA	MeJP	NA	NA
+MJ046926	Parconazole 	C17H16Cl2N2O3	366.053797	NA	MeJP	NA	NA
+HMDB01439	Phosphoribosyl formamidocarboxamide	C10H15N4O9P	366.05765	http://www.hmdb.ca/metabolites/HMDB01439	HMDB	NA	NA
+HMDB01439	Phosphoribosyl formamidocarboxamide	C10H15N4O9P	366.05765	HMDB01439	PFEM_hmdb_metabocards_official	NA	NA
+MJ046927	1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide 	C10H15N4O9P	366.057664	NA	MeJP	NA	NA
+MetaCyc03216	phosphoribosyl-formamido-carboxamide [5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide;5'-p-Ribosyl-5-formamido-4-imidazolecarboxamide;5'-phosphoribosyl-5-formamido-4-imidazole carboxamide;5'-p-Ribosyl-5-formamido-4-imidazole carboxamide;5-Phosphoribosyl-5-formamido-4-imid-carboxamide;5-formamido-1-(5-phosphoribosyl)-imidazole-4-carboxamide;FAICAR;]	C10H15N4O9P1	366.057665	NA	metacyc	NA	NA
+HMDB01439	Phosphoribosyl formamidocarboxamide	C10H15N4O9P	366.057678	NA	HMDB2010	NA	NA
+C04734	1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	C10H15N4O9P	366.0577	NA	KEGG	NA	NA
+C04735	Apo-[acetyl-CoA:carbon-dioxide ligase (ADP-forming)]	C7H13N3O2R2	366.0577	NA	KEGG	NA	NA
+C04736	Apo-[methylmalonyl-CoA:pyruvate carboxytransferase]	C7H13N3O2R2	366.0577	NA	KEGG	NA	NA
+C04737	Trihexosylceramide	C37H66NO18R	366.0577	NA	KEGG	NA	NA
+MJ046928	Majapol A 	C15H24BrClO3	366.059734	NA	MeJP	NA	NA
+MJ046929	Majapol B 	C15H24BrClO3	366.059734	NA	MeJP	NA	NA
+MJ046930	Majapol C 	C15H24BrClO3	366.059734	NA	MeJP	NA	NA
+MJ046931	Thiphencillin 	C16H18N2O4S2	366.070798	NA	MeJP	NA	NA
+MJ046932	Salicin 6-phosphate 	C13H19O10P	366.071583	NA	MeJP	NA	NA
+MetaCyc03217	salicin-6-phosphate [salicin-6-p;[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-tetrahydropyran-2-yl]methoxyphosphonic acid;]	C13H19O10P1	366.071583	NA	metacyc	NA	NA
+C06188	Salicin 6-phosphate	C13H19O10P	366.0716	NA	KEGG	NA	NA
+FL5F1GNF0001	3'-Methoxypongapin	C20H14O7	366.07395	60077-58-9	knapsack	NA	NA
+FLIF3LNF0001	Pachyrrhizone	C20H14O7	366.07395	42485-00-7	knapsack	NA	NA
+FLIFHXNF0002	12a-Methoxydolineone	C20H14O7	366.07395	54534-96-2	knapsack	NA	NA
+FLIH3LNF0001	Neofolin	C20H14O7	366.07395	10338-02-0	knapsack	NA	NA
+MJ046933	12a-Hydroxydolineone, Me ether 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046934	2-(1,3-Benzodioxol-5-yl)-5,6-dimethoxy-4H-furo[2,3-h]-1-benzopyran-4-one 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046935	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 5-Me ether 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046936	3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 7-Me ether 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046937	8,10-Dihydroxy-5-[(6-hydroxy-4-oxo-4H-pyran-2-yl)methyl]-2-methyl-4H-naphtho[1,2-b]pyran-4-one 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046938	Alterlosin I 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046939	Antibiotic Sch 49211 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046940	Arnottin II 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046941	Dehydroaverufin 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046942	Edgeworthin; Di-Me ether 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046943	Jusneesiinol 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046944	Oreojasmin 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046945	Pachyrrhizin; 9-Methoxy 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046946	Pachyrrhizone 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046947	Palmarumycin C15; 3-Ketone 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046948	Palmarumycin C15; 4,5-Dihydro, 3,7-diketone 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046949	Pongapin; 5'-Methoxy 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046950	Preussomerin A 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046951	Stemphyltoxin I 	C20H14O7	366.073952	NA	MeJP	NA	NA
+MJ046952	Tetracenomycin D3; 5-Deoxo 	C20H14O7	366.073952	NA	MeJP	NA	NA
+C10512	Pachyrrhizone	C20H14O7	366.074	NA	KEGG	NA	NA
+C12258	Arnottin II	C20H14O7	366.074	NA	KEGG	NA	NA
+C12367	Tetracenomycin F1	C20H14O7	366.074	NA	KEGG	NA	NA
+C12438	2-Decarboxytetrangomycin	C20H14O7	366.074	NA	KEGG	NA	NA
+C12439	Phenanthroviridone aglycon	C20H12NO6R	366.074	NA	KEGG	NA	NA
+MJ046953	Bactobolin C 	C14H20Cl2N2O5	366.074927	NA	MeJP	NA	NA
+MJ046954	Bis(2-hydroxy-3-phenylpropyl) trisulfide 	C18H22O2S3	366.078192	NA	MeJP	NA	NA
+MJ046955	Pirinixil 	C16H19ClN4O2S	366.091724	NA	MeJP	NA	NA
+MJ046956	3,5-Dihydroxy-2-methyl-1,4-naphthoquinone; 5-O-?-D-Glucopyranoside 	C17H18O9	366.095082	NA	MeJP	NA	NA
+MJ046957	3-(4-Hydroxy-5-benzofuranyl)-2-propenoic acid, O-?-D-Glucopyranoside 	C17H18O9	366.095082	NA	MeJP	NA	NA
+MJ046958	3-(6-Hydroxy-5-benzofuranyl)-2-propenoic acid, O-?-D-Glucopyranoside 	C17H18O9	366.095082	NA	MeJP	NA	NA
+MJ046959	Atovaquone 	C22H19ClO3	366.102272	NA	MeJP	NA	NA
+C06835	Atovaquone	C22H19ClO3	366.1023	NA	KEGG	NA	NA
+C06836	Transferred to D00237	C22H19ClO3	366.1023	NA	KEGG	NA	NA
+PJ000576	CNM 	C12H22N4O5S2	366.1032	NA	PeJP	NA	NA
+MJ046960	5-[[4-[2-(1H-Indol-1-yl)ethoxy]phenyl]methyl]-2,4-thiazolidinedione 	C20H18N2O3S	366.103813	NA	MeJP	NA	NA
+MJ046961	Speranskilatine A 	C16H18N2O8	366.106315	NA	MeJP	NA	NA
+C16968	Glycyrol	C21H18O6	366.1103	NA	KEGG	NA	NA
+FL3FACNP0001	Desmodol	C21H18O6	366.11033	68349-71-3	knapsack	NA	NA
+FL3FADNP0001	Racemoflavone	C21H18O6	366.11033	106055-12-3	knapsack	NA	NA
+FL3FADNP0003	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C21H18O6	366.11033	461677-63-4	knapsack	NA	NA
+FL5FDANF0001	Vellokaempferol 3-methyl ether	C21H18O6	366.11033	-	knapsack	NA	NA
+FLIAACNI0001	Derrubone;5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone	C21H18O6	366.11033	22044-58-2	knapsack	NA	NA
+FLIAAENP0001	3'-Hydroxyalpinumisoflavone 4'-methyl ether	C21H18O6	366.11033	84395-23-3	knapsack	NA	NA
+FLIAALNP0013	Barpisoflavone C	C21H18O6	366.11033	104703-89-1	knapsack	NA	NA
+FLIDACNP0001	Neorautenanol	C21H18O6	366.11033	76175-39-8	knapsack	NA	NA
+FLIE1CNI0001	Mirificoumestan;3,9-Dihydroxy-8-methoxy-7-prenylcoumestan	C21H18O6	366.11033	114865-41-7	knapsack	NA	NA
+FLIE3ANI0001	Puerarostan;3,9-Dihydroxy-4-methoxy-8-prenylcoumestan	C21H18O6	366.11033	116107-16-5	knapsack	NA	NA
+FLIEBANI0001	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan	C21H18O6	366.11033	128351-78-0	knapsack	NA	NA
+FLIECANI0001	Glycyrol;Neoglycyrol;1,9-Dihydroxy-3-methoxy-2-prenylcoumestan	C21H18O6	366.11033	23013-84-5	knapsack	NA	NA
+FLIECANP0001	Isoglycyrol	C21H18O6	366.11033	23013-86-7	knapsack	NA	NA
+MJ046962	1,3,9-Trihydroxy-8-prenylcoumestan; 1-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046963	3',4',5,7-Tetrahydroxy-6-prenylisoflavone; 3',4'-Methylene ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046964	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4',5-Tri-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046965	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 7,7'-Dihydro, 4,5-methylene, 3',4'-di-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046966	3,3',4,4'-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3,3',4'-Tri-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046967	3,4,9-Trihydroxy-8-prenylcoumestan; 4-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046968	3,8,9-Trihydroxy-7-prenylcoumestan; 8-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046969	?-Apopolygamatin 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046970	?-Isoderrubone 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046971	Alpinumisoflavone; 3'-Hydroxy, 4'-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046972	Anisolactone 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046973	Atalantoflavone; 3'-Methoxy 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046974	Collinusin 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046975	Desmodol 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046976	Gancaonin F; 3,4-Dihydro 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046977	Glyasperin L 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046978	Indicolactone 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046979	Leprapic acid, Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046980	Neorautane; 1,2-Didehydro, 14-hydroxy 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046981	Parvisoflavone B; 5-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046982	Pipoxide 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046983	Piscisoflavone C; 6'-Hydroxy 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046984	Piscisoflavone D 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046985	Polysyphoside B 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046986	Polysyphoside C 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046987	Psoralidin; 1-Methoxy 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046988	Racemosone 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046989	Robustic acid; 4'-O-De-Me 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046990	Semilicoisoflavone B; 5-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046991	Vellokaempferol; 3-Me ether 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046992	Vitrofolal C 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046993	?-Isoderrubone 	C21H18O6	366.110338	NA	MeJP	NA	NA
+MJ046994	Holmioside 	C14H22O11	366.116211	NA	MeJP	NA	NA
+MJ046995	Ridogrel 	C18H17F3N2O3	366.119127	NA	MeJP	NA	NA
+PJ000577	GSTC 	C12H22N4O7S	366.1209	NA	PeJP	NA	NA
+MJ046996	Tryptophan, Na-(3,4-Dihydroxycinnamoyl) 	C20H18N2O5	366.121571	NA	MeJP	NA	NA
+CJneg0564	Hydroxyphenyllactic acid [(2M-H)]- (13C2)	C1613C2H19O8	366.123125	C18rt(min)=5.22 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0564	Hydroxyphenyllactic acid [(2M-H)]- (13C2)	C1613C2H19O8	366.123125	C18rt(min)=5.22 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ046997	7-Hydroxy-8-(3-oxo-2-methylbutyl)-2H-1-benzopyran-2-one; O-(3-Chloro-2-hydroxy-3-methylbutyl) 	C19H23ClO5	366.123401	NA	MeJP	NA	NA
+MJ046998	Enkastine; Enkastine 5 	C13H22N2O10	366.127444	NA	MeJP	NA	NA
+MJ046999	Trehalamine; N2-?-D-Glucopyranoside 	C13H22N2O10	366.127444	NA	MeJP	NA	NA
+MJ047000	3-Butylidene-1(3H)-isobenzofuranone, 7-Hydroxy, 7-O-?-D-glucopyranoside 	C18H22O8	366.131467	NA	MeJP	NA	NA
+MJ047001	Rhamnose; ?-L-Pyranose-form, 3-O-(4-Methoxycinnamoyl)(E-), 2-Ac 	C18H22O8	366.131467	NA	MeJP	NA	NA
+MJ047002	Rhamnose; ?-L-Pyranose-form, 3-O-(4-Methoxycinnamoyl)(Z-), 2-Ac 	C18H22O8	366.131467	NA	MeJP	NA	NA
+C15390	1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione	C19H26O3S2	366.1323	NA	KEGG	NA	NA
+MJ047003	1,5-Epidithio-17a-oxa-D-homoandrostane-3,17-dione 	C19H26O3S2	366.132336	NA	MeJP	NA	NA
+MJ047004	Acetiamine 	C16H22N4O4S	366.136175	NA	MeJP	NA	NA
+MJ047005	Trifluomeprazine 	C19H21F3N2S	366.137753	NA	MeJP	NA	NA
+PJ000578	SSSS 	C12H22N4O9	366.1387	NA	PeJP	NA	NA
+MJ047006	2-(4-Hydroxybenzyl)imidazole; 3'-Methoxy, O-?-D-galactopyranoside 	C17H22N2O7	366.142701	NA	MeJP	NA	NA
+MJ047007	Tetrahydropentoxyline 	C17H22N2O7	366.142701	NA	MeJP	NA	NA
+FL1C1ANI0019	Xanthoangelol C	C22H22O5	366.14672	132998-82-4	knapsack	NA	NA
+FL1C1CNP0003	3,4-Dimethoxylonchocarpin;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4-dimethoxychalcone	C22H22O5	366.14672	179003-85-1	knapsack	NA	NA
+FL1CBBNP0001	Glychalcone A;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone	C22H22O5	366.14672	143885-75-0	knapsack	NA	NA
+FL1CCBNP0001	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone	C22H22O5	366.14672	143885-77-2	knapsack	NA	NA
+FL1CHYNP0006	Praecansone B	C22H22O5	366.14672	74517-75-2	knapsack	NA	NA
+FL2F1CNI0003	O-Methylovaliflavanone C	C22H22O5	366.14672	115219-94-8	knapsack	NA	NA
+FL2F1CNP0003	Ponganone III;(2S)-3',4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C22H22O5	366.14672	142608-89-7	knapsack	NA	NA
+FL2FBBNP0001	Glyflavanone A;(2S)-5,4'-Dimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C22H22O5	366.14672	167568-52-7	knapsack	NA	NA
+FL3FA9NI0002	cis-Tephrostachin	C22H22O5	366.14672	50299-52-0	knapsack	NA	NA
+FL3FA9NI0003	trans-Tephrostachin	C22H22O5	366.14672	80377-43-1	knapsack	NA	NA
+FLIA1CNI0003	7-Prenyloxy-3',4'-dimethoxyisoflavone	C22H22O5	366.14672	82345-39-9	knapsack	NA	NA
+FLIDBBNP0001	Edulenane;Edulaan	C22H22O5	366.14672	53734-77-3	knapsack	NA	NA
+MJ047008	2,6-Bis(4-hydroxy-3-methoxybenzylidene)cyclohexanone 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047009	3',4',7-Trihydroxy-8-prenylflavanone, 3',4'-Methylene, 7-Me ether 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047010	3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether, 7-O-(3-methyl-2-butenyl) 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047011	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-Benzoyl 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047012	Allomicrophyllone 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047013	Citflavanone, Di-Me ether 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047014	Citrunobin; 4-Me ether 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047015	Curcumin III; 3'-Methoxy 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047016	Glychalcone A 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047017	Isobavachromene; 3''-Methoxy, 4''-Me ether 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047018	Isolonchocarpin, 3',4'-Dimethoxy 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047019	Microphyllone; ?7',8'-Isomer, 9'-hydroxy 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047020	Neorautenol; 13-Methoxy, Me ether 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047021	Plectranthone A; 2',3'-Dihydro, 2'?-acetoxy 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047022	Ponganone I 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047023	Purpurenone; 7-Methoxy 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047024	Tephrostachin 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047025	Xanthoangelol C 	C22H22O5	366.146723	NA	MeJP	NA	NA
+MJ047026	Lavanducyanin; 2-Chloro 	C22H23ClN2O	366.149891	NA	MeJP	NA	NA
+MJ047027	1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran 	C15H26O10	366.152597	NA	MeJP	NA	NA
+MJ047028	Harpagide; 3,4-Dihydro 	C15H26O10	366.152597	NA	MeJP	NA	NA
+8031	synthetic peptide	PHN	366.1529	antibacterial	Inhouse_peptide	NA	peptide
+PJ000579	GQY 	C16H22N4O6	366.1539	NA	PeJP	NA	NA
+PJ000580	GGAY 	C16H22N4O6	366.154	NA	PeJP	NA	NA
+MJ047029	15-Bromo-9(11)-pargueren-16-ol 	C20H31BrO	366.155828	NA	MeJP	NA	NA
+MJ047030	Sphaeroxetane 	C20H31BrO	366.155828	NA	MeJP	NA	NA
+MJ047031	Apodine 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047032	Buxomeline 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047033	Corynantheidinalinic acid 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047034	Dasyrachine 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047035	Ervatamine; 19,20-Didehydro, 5-oxo 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047036	Gardfloramine; 18-Demethoxy, (19E)-isomer 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047037	Gelsemine; 21-Oxo, N-methoxy 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047038	Henningsamide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047039	Kopsinine; 3-Oxo, 14,15-didehydro, Nb-oxide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047040	Lochnericine; 14,15-Diepimer, 3-oxo 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047041	Minovincine, 3-Oxo 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047042	N-(6-Cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-N-(phenylmethoxy)acetamide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047043	Nareline; Me ether 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047044	Perimivine 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047045	Perivine; N4-Formyl 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047046	Peronatin B; 7-Hydroxy, 7'-methoxy 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047047	Picralinal 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047048	Pseudostrychnine; 12-Hydroxy 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047049	Rhazinaline; Nb-Oxide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047050	Scandine; 10-Hydroxy 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047051	Scandine; 14,15-Epoxide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047052	Scandine; Nb-Oxide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047053	Strychnine; 12-Hydroxy, Nb-oxide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047054	Suaveolenine 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047055	Tabersonine, 3-Oxo, 14?,15?-epoxide 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047056	Talbotine; 3,4-Didehydro 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+MJ047057	Venalstonine; 6?,7?-Epoxide, 3-oxo 	C21H22N2O4	366.157957	NA	MeJP	NA	NA
+C09034	Apodine	C21H22N2O4	366.158	NA	KEGG	NA	NA
+MJ047058	Glibornuride 	C18H26N2O4S	366.161328	NA	MeJP	NA	NA
+MJ047059	6,7-Diphenyl-2,4,8,10-dodecatetrayne, 2',2''-Dimethoxy 	C26H22O2	366.161979	NA	MeJP	NA	NA
+PJ000581	PNH 	C15H22N6O5	366.1652	NA	PeJP	NA	NA
+MJ047060	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047061	1,10-Epoxy-3,9-dihydroxy-4-germacren-12,6-olide, Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047062	1,3,8,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 3-Ketone, 8-(2-methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047063	1,3,8-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-(2-methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047064	1,4,14-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4,14-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047065	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 4,15-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047066	1,4,6-Trihydroxy-11(13)-eudesmen-12,8-olide, 1,6-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047067	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2,3-Dihydroxy-2-methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047068	2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,3-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047069	2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047070	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047071	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,6-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047072	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047073	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,6-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047074	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047075	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047076	3,4,15-Scirpenetriol, 4,15-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047077	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047078	3,8-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047079	4,15-Dihydroxy-11(13)-pseudoguaien-12,6-olide, 14-Acetoxy, 15-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047080	4,8,10-Trihydroxy-3-oxo-11(13)-guaien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047081	6-Hydroxy-4-oxo-2-pseudoguaien-12,8-olide, 2,3-Dihydro, 2?-hydroxy, 3-hydroxy-2-methylenepropanoyl 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047082	8,10,11-Trihydroxy-3-guaien-12,6-olide, 10,11-Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047083	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047084	Antibiotic LL-Z1640-2; 7-Alcohol, 5,6-dihydro 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047085	Eurycomalactone; 2?-Alcohol, 6?-hydroxy, ?4,18-isomer 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047086	Hymenoxon; Di-Ac 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047087	Isopterosin C, 1-O-?-L-Arabinoside 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047088	Longilactone 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047089	Plagiochiline F 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047090	Pterosin C, 10-O-?-L-Arabinoside 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047091	Samaderine C; 7-Alcohol 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047092	Secoeremopetasitolide A 	C19H26O7	366.167853	NA	MeJP	NA	NA
+MJ047093	Teucrin D 	C19H26O7	366.167853	NA	MeJP	NA	NA
+C09521	Orizabin	C19H26O7	366.1679	NA	KEGG	NA	NA
+C09662	Diacetoxyscirpenol	C19H26O7	366.1679	NA	KEGG	NA	NA
+C17790	Dehydrocorydaline	C22H24NO4	366.1705	NA	KEGG	NA	NA
+3781	dipeptidyl carboxypeptidase inhibitor	PPPG	366.177	ACE inhibitor	Inhouse_peptide	NA	peptide
+3782	dipeptidyl carboxypeptidase inhibitor	PPGP	366.177	ACE inhibitor	Inhouse_peptide	NA	peptide
+7646	ACE inhibitor from pea vicilin	GYK	366.178	antioxidative	Inhouse_peptide	NA	peptide
+MJ047094	Bufotenine; O-?-D-Glucopyranoside 	C18H26N2O6	366.179086	NA	MeJP	NA	NA
+C15340	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-	C21H25F3O2	366.1807	NA	KEGG	NA	NA
+C15053	2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol	C23H26O4	366.1831	NA	KEGG	NA	NA
+MJ047095	2,3',4-Trihydroxy-2',5-diprenylbenzophenone 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047096	2,4,6-Trihydroxy-3,5-diprenylbenzophenone 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047097	3-(3,7-Dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzophenone 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047098	6-Benzoyl-5,7-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)chroman 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047099	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(2-Furancarbonyl) 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047100	Nimbothalin 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047101	Paglucinol 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047102	Tavicone 	C23H26O4	366.183109	NA	MeJP	NA	NA
+MJ047103	2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Hexa-Me 	C16H30O9	366.188982	NA	MeJP	NA	NA
+MJ047104	3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, penta-Me 	C16H30O9	366.188982	NA	MeJP	NA	NA
+MJ047105	7-Methyl-3-methylene-1,2,6,7-octanetetrol, 2-O-?-D-Glucopyranoside 	C16H30O9	366.188982	NA	MeJP	NA	NA
+PJ000582	GKY 	C17H26N4O5	366.1903	NA	PeJP	NA	NA
+C09040	Aspidofractine	C22H26N2O3	366.1943	NA	KEGG	NA	NA
+C11675	16-Methoxytabersonine	C22H26N2O3	366.1943	NA	KEGG	NA	NA
+C16971	Hirsuteine	C22H26N2O3	366.1943	NA	KEGG	NA	NA
+MJ047106	Akagerine lactone; O-Et 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047107	Akuammine; 10-Deoxy 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047108	Alstonerine; 11-Methoxy 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047109	Antibiotic YM 47690 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047110	Corynantheine 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047111	Geissoschizine; Me ether 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047112	Kopsinine; N1-Formyl 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047113	Ochropamine 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047114	Pericyclivine; 10-Methoxy, N1-Me 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047115	Pleiocarpinine; 5-Oxo 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047116	Polyneuridine; N1-Me 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047117	Rauviridine 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047118	Strychnobrasiline 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047119	Tabersonine, 11-Methoxy 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047120	Talcarpine; 19,20-Didehydro, 10-methoxy 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047121	Tsilanine 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047122	Vincamajine 	C22H26N2O3	366.194342	NA	MeJP	NA	NA
+MJ047123	Akuammicine, 12-Methoxy, Nb-Me 	C22H27N2O3(+)	366.194342	NA	MeJP	NA	NA
+MJ047124	Akuammidine; N4-Me 	C22H27N2O3(+)	366.194342	NA	MeJP	NA	NA
+MJ047125	Polyneuridine; N4-Me 	C22H27N2O3(+)	366.194342	NA	MeJP	NA	NA
+MJ047126	Tetrahydroalstonine; Nb-Me 	C22H27N2O3(+)	366.194342	NA	MeJP	NA	NA
+MetaCyc03218	16-methoxytabersonine []	C22H26N2O3	366.194343	NA	metacyc	NA	NA
+MJ047127	Egregiachloride C 	C21H31ClO3	366.196172	NA	MeJP	NA	NA
+MJ047128	Hamiltonin C 	C21H31ClO3	366.196172	NA	MeJP	NA	NA
+C15381	6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione	C21H28F2O3	366.2007	NA	KEGG	NA	NA
+C05950	20-COOH-Leukotriene B4	C20H30O6	366.2042	NA	KEGG	NA	NA
+C08758	Chaparrolide	C20H30O6	366.2042	NA	KEGG	NA	NA
+C15438	Bis(2-butoxyethyl)phthalate	C20H30O6	366.2042	NA	KEGG	NA	NA
+MJ047129	1,5,6,7,14-Vouacapanepentol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047130	1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(3-Methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047131	1,7,12,14,20-Pentahydroxy-16-kauren-15-one 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047132	11,15,16,17-Tetrahydroxy-19-kauranoic acid, 15-Ketone 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047133	13,18:12,15-Diepoxy-7,14,15-trihydroxy-3-cleroden-6-one 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047134	18,19-Epoxy-3,4,19-trihydroxy-13-cleroden-15,16-olide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047135	18-Oxo-2,6,10,14-phytatetraene-1,16-dioic acid, 18-Carboxylic acid, 2,3S-dihydro 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047136	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-(3-Methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047137	2,6,12,19-Tetrahydroxy-8,13-labdadien-15,16-olide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047138	3,13:7,8-Diepoxy-4,17-dihydroxy-1(15)-cembren-16,14-olide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047139	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-angeloyl 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047140	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(3-methyl-2-butenoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047141	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047142	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-(2,3-epoxy-2-methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047143	3,5,6,10,14,16-Grayanotoxanehexol, 3,6-Diketone 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047144	4,7-Epoxy-3,8-dihydroxy-11-oxo-15(17)-cembren-16,12-olide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047145	5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid, 20-Carboxylic acid 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047146	6,7,18,19-Tetrahydroxy-3,13-clerodadien-15,16-olide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047147	6,9,15-Trihydroxy-1(10),11(13)-germacradien-12,8-olide, 6-(2-Methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047148	7,11,12,14,18-Pentahydroxy-16-kauren-15-one 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047149	7,12,14,18-Tetrahydroxy-15-kauranone, 18-Carboxylic acid 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047150	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047151	7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047152	7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047153	7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047154	7,8,16,18-Tetrahydroxy-19-serrulatanoic acid 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047155	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-3-methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047156	9,10-Dihydroxy-5-oxo-11(13)-germacren-12,8-olide, 8-(2R-Methylbutanoyl) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047157	9,12,13,16,17-Pentahydroxy-11-kauranone, 17-Aldehyde 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047158	9,13-Epoxy-6,19-dihydroxy-7-oxo-15,16-labdanolide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047159	9,13:15,16-Diepoxy-6,15,19-trihydroxy-7-labdanone, 6-Ketone, 7?-alcohol, 15-ketone (lactone) 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047160	Chaparrolide 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047161	Cinncassiol A; 19-Deoxy 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047162	Gibberellin A42 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047163	Gibberellin A83 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047164	Ingol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047165	Javanicin V 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047166	Sporotrichiol 	C20H30O6	366.204238	NA	MeJP	NA	NA
+MJ047167	20-COOH-Leukotriene B4 	C20H30O6	366.204238	NA	MeJP	NA	NA
+HMDB06059	20-Carboxyleukotriene B4	C20H30O6	366.20425	http://www.hmdb.ca/metabolites/HMDB06059	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB06059	20-Carboxyleukotriene B4	C20H30O6	366.20425	http://www.hmdb.ca/metabolites/HMDB06059	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB06059	20-Carboxyleukotriene B4	C20H30O6	366.20425	http://www.hmdb.ca/metabolites/HMDB06059	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB06059	20-Carboxyleukotriene B4	C20H30O6	366.20425	http://www.hmdb.ca/metabolites/HMDB06059	HMDB	NA	NA
+HMDB06059	20-Carboxyleukotriene B4	C20H30O6	366.20425	HMDB06059	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06059	20-Carboxyleukotriene B4	C20H30O6	366.204254	NA	HMDB2010	NA	NA
+MJ047168	Lysergylvaline; Amide 	C21H26N4O2	366.205576	NA	MeJP	NA	NA
+MJ047169	Azipramine 	C26H26N2	366.209598	NA	MeJP	NA	NA
+C17974	Fortimicin KK1	C14H30N4O7	366.2114	NA	KEGG	NA	NA
+MJ047170	Fortimicin KK1 	C14H30N4O7	366.211449	NA	MeJP	NA	NA
+MJ047171	1,18-Diisothiocyanato-1,17-octadecadiene, 1,2-Dihydro 	C20H34N2S2	366.21634	NA	MeJP	NA	NA
+MJ047172	10(14)-Aromadendrene-4,8-diol, 8-Cinnamoyl 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047173	16-Hydroxy-8-tricosene-4,6,17,19-tetraynoic acid, Me ether 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047174	2,8-Daucadiene-5,10-diol, 10-Cinnamoyl(E-) 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047175	4,8-Daucadien-14-ol; 14-(2-Hydroxycinnamoyl)(E-) 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047176	Bufotalein 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047177	Cocanicin 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047178	Dihydroamorphastilbol; 4''-Hydroxy 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047179	Ferulenol 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047180	Gancaonin S; 3'-Deoxy 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047181	Osthenol; O-(3,7-Dimethyl-2E,6E-octadienyl) 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047182	Spirorenone; 1,2-Dihydro 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047183	Umbelliprenin 	C24H30O3	366.219494	NA	MeJP	NA	NA
+MJ047184	Fumigaclavine C 	C23H30N2O2	366.230728	NA	MeJP	NA	NA
+MJ047185	Ohmefentanyl 	C23H30N2O2	366.230728	NA	MeJP	NA	NA
+MJ047186	Piminodine 	C23H30N2O2	366.230728	NA	MeJP	NA	NA
+C15322	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate	C22H32F2O2	366.237	NA	KEGG	NA	NA
+C05472	Urocortisol	C21H34O5	366.2406	NA	KEGG	NA	NA
+C05481	Cortolone	C21H34O5	366.2406	NA	KEGG	NA	NA
+MJ047187	1,2,3,16-Tetrahydroxypregnan-20-one 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047188	11,15-Dihydroxy-15-methyl-9-oxo-5,13-prostadienoic acid 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047189	19,20-Epoxy-3,13-clerodadiene-6,15,16,19-tetrol, 19-Me ether 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047190	2,3,4,16-Tetrahydroxypregnan-20-one 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047191	3,11,17,21-Tetrahydroxypregnan-20-one 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047192	3,14,15,16-Tetrahydroxypregnan-20-one 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047193	3,15-Dihydroxy-4,6,8,14-tetramethyl-5,9-dioxo-10,12-heptadecadienoic acid; 1,15-Lactone, 9S-alcohol 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047194	3,17,20,21-Tetrahydroxypregnan-11-one 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047195	5-Tridecyl-1,3-benzenediol; 2'-Acetoxy, 8'-hydroxy 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047196	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 11'S-hydroxy 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047197	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 12'S-hydroxy 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047198	6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 2'-Deoxy, 12'-Me ether 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047199	8,13-Epoxy-2,3-seco-14-labdene-2,3-dioic acid, 3-Me ester 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047200	9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 15-Me ether 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047201	Antibiotic MF 4833 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047202	Betaenone A 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047203	Betaenone D; 2',3'-Didehydro, 1''-deoxy 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047204	Isomuronic acid 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047205	Murolic acid, 14'-Ketone 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047206	Murolic acid, 2-Epimer, 14'-ketone 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047207	Podopyrone; 10'-Acetoxy 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047208	Pregn-5-ene-3,11,12,14,20-pentol 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047209	Pregn-5-ene-3,12,14,17,20-pentol 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047210	Pregn-5-ene-3,14,17,20,21-pentol 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047211	Pregn-5-ene-3,8,12,14,20-pentol 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047212	Pregnane-3,6,16,17,20-pentol, 6-Ketone 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047213	Prosta-5,13-diene-1,9,11,15-tetrol cyclic 9,11-carbonate 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047214	Shahamin B 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047215	Cortolone 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MJ047216	Urocortisol 	C21H34O5	366.240624	NA	MeJP	NA	NA
+MetaCyc03219	urocortisol []	C21H34O5	366.240624	NA	metacyc	NA	NA
+MetaCyc03220	cortolone []	C21H34O5	366.240624	516-42-7	metacyc	NA	NA
+HMDB00526	5a-Tetrahydrocortisol	C21H34O5	366.24063	http://www.hmdb.ca/metabolites/HMDB00526	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00314	3b-Allotetrahydrocortisol	C21H34O5	366.24063	http://www.hmdb.ca/metabolites/HMDB00314	HMDB	NA	NA
+HMDB00526	5a-Tetrahydrocortisol	C21H34O5	366.24063	http://www.hmdb.ca/metabolites/HMDB00526	HMDB	NA	NA
+HMDB00949	Tetrahydrocortisol	C21H34O5	366.24063	http://www.hmdb.ca/metabolites/HMDB00949	HMDB	NA	NA
+HMDB03128	Cortolone	C21H34O5	366.24063	http://www.hmdb.ca/metabolites/HMDB03128	HMDB	NA	NA
+HMDB00526	5a-Tetrahydrocortisol	C21H34O5	366.24063	http://www.hmdb.ca/metabolites/HMDB00526	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00314	3b-Allotetrahydrocortisol	C21H34O5	366.24063	HMDB00314	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00526	5a-Tetrahydrocortisol	C21H34O5	366.24063	HMDB00526	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00949	Tetrahydrocortisol	C21H34O5	366.24063	HMDB00949	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03128	Cortolone	C21H34O5	366.24063	HMDB03128	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00314	3b-Allotetrahydrocortisol	C21H34O5	366.240631	NA	HMDB2010	NA	NA
+HMDB00526	5a-Tetrahydrocortisol	C21H34O5	366.240631	NA	HMDB2010	NA	NA
+HMDB00949	Tetrahydrocortisol	C21H34O5	366.240631	NA	HMDB2010	NA	NA
+HMDB03128	Cortolone	C21H34O5	366.240631	NA	HMDB2010	NA	NA
+HMDB13221	Beta-Cortolone	C21H34O5	366.240631	NA	HMDB2010	NA	NA
+MJ047217	Spiriprostil 	C20H34N2O4	366.251857	NA	MeJP	NA	NA
+MJ047218	3-Hydroxy-12'-apo-?-caroten-12'-al 	C25H34O2	366.25588	NA	MeJP	NA	NA
+MJ047219	5-(4,7,10,13,16-Nonadecapentaenyl)-1,3-benzenediol 	C25H34O2	366.25588	NA	MeJP	NA	NA
+MJ047220	5-Oxo-3,7,16,18-ophiobolatetraen-21-al 	C25H34O2	366.25588	NA	MeJP	NA	NA
+MJ047221	Homoplakotenin 	C25H34O2	366.25588	NA	MeJP	NA	NA
+MJ047222	Quingestanol 	C25H34O2	366.25588	NA	MeJP	NA	NA
+C06847	Bepridil	C24H34N2O	366.2671	NA	KEGG	NA	NA
+C06848	Transferred to D00244	C24H34N2O	366.2671	NA	KEGG	NA	NA
+MJ047223	Bepridil 	C24H34N2O	366.267113	NA	MeJP	NA	NA
+MJ047224	13-Labdene-3,8,15-triol, 3-Ac 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047225	13-Labdene-8,15,18-triol, 15-Ac 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047226	13-Labdene-8,15,19-triol, 19-Ac 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047227	3-(3-Oxo-1-nonadecenyl)oxiranecarboxylic acid 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047228	4,6,8,10-Tetraethyl-4,6-dihydroxy-2,7,11-tetradecatrienoic acid 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047229	8(17)-Labdene-13,14,15-triol, 15-Ac 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047230	8,13-Epoxy-14,15-labdanediol, 15-Ac 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047231	Amphidinin A 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047232	Plakortide H 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047233	Podoblastin C 	C22H38O4	366.277009	NA	MeJP	NA	NA
+MJ047234	1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol; 2-Deoxy 	C26H38O	366.292265	NA	MeJP	NA	NA
+MJ047235	2-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)benzene 	C26H38O	366.292265	NA	MeJP	NA	NA
+MJ047236	Dihydro-4-hydroxy-5-methyl-3-(9-octadecenyl)-2(3H)-furanone 	C23H42O3	366.313395	NA	MeJP	NA	NA
+MJ047237	1-(5-Butyltetrahydro-2-furanyl)-2-hexacosanone 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047238	10,12-Tetracosanedione 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047239	15-Tetracosenoic acid 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047240	2-Tetracosenoic acid 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047241	24-Hydroxytetracosanoic acid; Lactone 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047242	4,6-Tetracosanedione 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047243	5,7-Tetracosanedione 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047244	6,8-Tetracosanedione 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047245	7,9-Tetracosanedione 	C24H46O2	366.34978	NA	MeJP	NA	NA
+MJ047246	7-Tetracosenoic acid 	C24H46O2	366.34978	NA	MeJP	NA	NA
+HMDB02368	Nervonic acid	C24H46O2	366.34979	http://www.hmdb.ca/metabolites/HMDB02368	HMDB	NA	NA
+HMDB02368	Nervonic acid	C24H46O2	366.34979	HMDB02368	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02368	Nervonic acid	C24H46O2	366.349792	NA	HMDB2010	NA	NA
+C08323	(15Z)-Tetracosenoic acid	C24H46O2	366.3498	NA	KEGG	NA	NA
+C15398	10,13-Dimethyl-11-docosyne-10,13-diol	C24H46O2	366.3498	NA	KEGG	NA	NA
+MJ047247	7-Pentacosanone 	C25H50O	366.386166	NA	MeJP	NA	NA
+MJ047248	Pentacosanal 	C25H50O	366.386166	NA	MeJP	NA	NA
+MJ047249	Hexacosane 	C26H54	366.422551	NA	MeJP	NA	NA
+MJ047250	3-Methylpentacosane 	C26H54	366.422551	NA	MeJP	NA	NA
+2706	erythromycin inhibitor	MNWKR	366.67865	MH2+	Inhouse_peptide	NA	peptide
+MJ047251	Convolutamydines; Convolutamydine B 	C10H8Br2ClNO2	366.861031	NA	MeJP	NA	NA
+C11028	Phosalone	C12H15ClNO4PS2	366.9869	NA	KEGG	NA	NA
+C14949	3-[(2,6-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one	C20H11Cl2NO2	367.0167	NA	KEGG	NA	NA
+C14950	3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one	C20H11Cl2NO2	367.0167	NA	KEGG	NA	NA
+MJ047252	Cefaclor 	C15H14ClN3O4S	367.039354	NA	MeJP	NA	NA
+C06877	Cefaclor	C15H14ClN3O4S	367.0394	NA	KEGG	NA	NA
+MJ047253	Acreozast 	C15H14ClN3O6	367.057112	NA	MeJP	NA	NA
+MJ047254	Lodoxamide; Di-Et ester 	C15H14ClN3O6	367.057112	NA	MeJP	NA	NA
+MJ047255	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-glucopyranoside, 4-O-sulfate 	C12H17NO10S	367.057316	NA	MeJP	NA	NA
+MJ047256	3-[[(4-Chlorophenyl)methyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C17H18ClNO4S	367.064506	NA	MeJP	NA	NA
+MJ047257	Ekatetrone 	C19H13NO7	367.069201	NA	MeJP	NA	NA
+MJ047258	Quincarbate 	C17H18ClNO6	367.082265	NA	MeJP	NA	NA
+MJ047259	Betiatide 	C15H17N3O6S	367.083805	NA	MeJP	NA	NA
+PJ000583	CDM 	C12H21N3O6S2	367.0872	NA	PeJP	NA	NA
+MJ047260	2,8-Dihydroxy-4-quinolinecarboxylic acid; O-?-D-Glucopyranoside 	C16H17NO9	367.090331	NA	MeJP	NA	NA
+C08109	Loracarbef monohydrate	C16H16ClN3O4	367.0935	NA	KEGG	NA	NA
+C11034	MK-129	C21H18ClNO3	367.0975	NA	KEGG	NA	NA
+MJ047261	Adlumidine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047262	Africanine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047263	Bicuculline 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047264	Chilenine, Deoxy 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047265	Corydaine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047266	Decumbenine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047267	Dioxocularine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047268	Himalayamine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047269	Hypecorine, 8-Oxo 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047270	Hypecorinine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047271	Iwamide 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047272	Ouregidione; 8-Methoxy 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047273	Oxychelidonine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047274	Pareirubrine A 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047275	Protopine; 13-Oxo 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047276	Protopine; 8-Oxo 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047277	Ribasine; 13?-Hydroxy 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047278	Sibiricine; Natural-form 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047279	Yagonine 	C20H17NO6	367.105587	NA	MeJP	NA	NA
+MJ047280	Leptopine 	C20H18NO6(+)	367.105587	NA	MeJP	NA	NA
+C09364	Bicuculline	C20H17NO6	367.1056	NA	KEGG	NA	NA
+C09372	Capnoidine	C20H17NO6	367.1056	NA	KEGG	NA	NA
+MJ047281	Limalongine; 10-Chloro 	C18H22ClNO5	367.11865	NA	MeJP	NA	NA
+C11562	N-[2-(4-Chloro-phenyl)-acetyl]-N'-(4,7-dimethyl-quinazolin-2-yl)-	C19H18ClN5O	367.12	NA	KEGG	NA	NA
+MJ047282	Karnamicin B2 	C16H21N3O5S	367.120191	NA	MeJP	NA	NA
+MJ047283	Karnamicin C1 	C16H21N3O5S	367.120191	NA	MeJP	NA	NA
+MJ047284	Karnamicin C5 	C16H21N3O5S	367.120191	NA	MeJP	NA	NA
+MJ047285	Riodipine 	C18H19F2NO5	367.123129	NA	MeJP	NA	NA
+PJ000584	SMM 	C13H25N3O5S2	367.1236	NA	PeJP	NA	NA
+MJ047286	Mescaline citrimide 	C17H21NO8	367.126716	NA	MeJP	NA	NA
+7869	peptide from Okara protein	SDF	367.1269	antioxidative	Inhouse_peptide	NA	peptide
+8023	synthetic peptide	PHD	367.1369	antibacterial	Inhouse_peptide	NA	peptide
+PJ000585	GEY 	C16H21N3O7	367.138	NA	PeJP	NA	NA
+C10939	N-Ethyl-N-methyl-4-(trifluoromethyl)-2-(3,4-	C19H20F3NO3	367.1395	NA	KEGG	NA	NA
+MJ047287	8-Oxopseudopalmatine 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047288	Capitavine; 4'-Hydroxy 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047289	Citracridone III; 5,6-Di-Me ether 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047290	Corycavamine 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047291	Corynoline 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047292	Corystewartine 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047293	Dehydroocoteine 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047294	Isocorynoline 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047295	Leucoxine, Me ether, 6a,7-Didehydro 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047296	Nantenine, N-De-Me, N-Ac 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047297	Oxypalmatine 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047298	Parfumine; Me ether 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047299	Phoebine, 6a,7-Didehydro 	C21H21NO5	367.141972	NA	MeJP	NA	NA
+MJ047300	Anisocycline; 4-O-De-Me 	C21H22NO5(+)	367.141972	NA	MeJP	NA	NA
+MJ047301	Papaveraldine; N-Me 	C21H22NO5(+)	367.141972	NA	MeJP	NA	NA
+MJ047302	Stephabine 	C21H22NO5(+)	367.141972	NA	MeJP	NA	NA
+MJ047303	Usambanoline 	C21H22NO5(+)	367.141972	NA	MeJP	NA	NA
+3488	ACE inhibitor from sake lees	YW	367.142	ACE inhibitor	Inhouse_peptide	NA	peptide
+7898	peptide from bovine b-lactoglobulin	WY	367.142	antioxidative	Inhouse_peptide	NA	peptide
+MJ047304	Dambullin; 12-Methoxy 	C18H25NO5S	367.145343	NA	MeJP	NA	NA
+MJ047305	Casuarine; 6-O-?-D-Glucopyranoside 	C14H25NO10	367.147846	NA	MeJP	NA	NA
+HMDB02220	N-Acetyl-6-O-L-fucosyl-D-glucosamine	C14H25NO10	367.147858	NA	HMDB2010	NA	NA
+HMDB05817	2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose	C14H25NO10	367.147858	NA	HMDB2010	NA	NA
+HMDB06700	3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose	C14H25NO10	367.147858	NA	HMDB2010	NA	NA
+HMDB02220	N-Acetyl-6-O-L-fucosyl-D-glucosamine	C14H25NO10	367.14786	http://www.hmdb.ca/metabolites/HMDB02220	HMDB	NA	NA
+HMDB05817	2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose	C14H25NO10	367.14786	http://www.hmdb.ca/metabolites/HMDB05817	HMDB	NA	NA
+HMDB06700	3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose	C14H25NO10	367.14786	http://www.hmdb.ca/metabolites/HMDB06700	HMDB	NA	NA
+HMDB02220	N-Acetyl-6-O-L-fucosyl-D-glucosamine	C14H25NO10	367.14786	HMDB02220	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05817	2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose	C14H25NO10	367.14786	HMDB05817	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06700	3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose	C14H25NO10	367.14786	HMDB06700	PFEM_hmdb_metabocards_official	NA	NA
+PJ000586	PDH 	C15H21N5O6	367.1492	NA	PeJP	NA	NA
+PJ000587	YW 	C20H21N3O4	367.1532	NA	PeJP	NA	NA
+MJ047306	Fradafiban 	C20H21N3O4	367.153206	NA	MeJP	NA	NA
+MJ047307	Cipropride 	C17H25N3O4S	367.156576	NA	MeJP	NA	NA
+PJ000588	AMF 	C17H25N3O4S	367.1566	NA	PeJP	NA	NA
+C10333	Isatidine	C18H25NO7	367.1631	NA	KEGG	NA	NA
+MJ047308	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-Trimethoxybenzoyl) 	C18H25NO7	367.163102	NA	MeJP	NA	NA
+MJ047309	Madurensine; 18-Hydroxy 	C18H25NO7	367.163102	NA	MeJP	NA	NA
+MJ047310	Monocrotaline; O13-Ac 	C18H25NO7	367.163102	NA	MeJP	NA	NA
+MJ047311	Retrorsine; N-Oxide 	C18H25NO7	367.163102	NA	MeJP	NA	NA
+MJ047312	9-Methoxy-N,N-dimethyl-5-nitropyrazolo[3,4,5-kl]acridine-2(6H)-propanamine 	C19H21N5O3	367.164439	NA	MeJP	NA	NA
+MJ047313	Prucalopride 	C18H26ClN3O3	367.166269	NA	MeJP	NA	NA
+MJ047314	2,3-Dihydro-3-(4-methylpiperazinylmethyl)-2-phenyl-1,5-benzothiazepin-4(5H)-one 	C21H25N3OS	367.171833	NA	MeJP	NA	NA
+PJ000589	SVY 	C17H25N3O6	367.1743	NA	PeJP	NA	NA
+MJ047315	2-(?-Hydroxybenzyl)-3,6-tropanediol; O3-Benzoyl 	C22H25NO4	367.178358	NA	MeJP	NA	NA
+MJ047316	2-(?-Hydroxybenzyl)-3,6-tropanediol; O6-Benzoyl 	C22H25NO4	367.178358	NA	MeJP	NA	NA
+MJ047317	4-[[1-[4-(1,1-Dimethylethyl)phenyl]-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid 	C22H25NO4	367.178358	NA	MeJP	NA	NA
+MJ047318	Dimoxyline 	C22H25NO4	367.178358	NA	MeJP	NA	NA
+MJ047319	Pitofenone 	C22H25NO4	367.178358	NA	MeJP	NA	NA
+JH189	Naringenin N/A	NA	367.1822	17.87	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH189	Naringenin N/A	NA	367.1822	17.87	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH189	Naringenin N/A	NA	367.1822	17.87	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH189	Naringenin N/A	NA	367.1822	17.87	Inhousejuil11	NA	NA
+MJ047320	Antibiotic WF 14865; Antibiotic WF 14865A 	C16H25N5O5	367.185568	NA	MeJP	NA	NA
+MJ047321	Antibiotic WF 14865; Antibiotic WF 14865B 	C16H25N5O5	367.185568	NA	MeJP	NA	NA
+MJ047322	Brevianamide E 	C21H25N3O3	367.189591	NA	MeJP	NA	NA
+MJ047323	Naamine B 	C21H25N3O3	367.189591	NA	MeJP	NA	NA
+MJ047324	Tacraline; De-Ac 	C21H25N3O3	367.189591	NA	MeJP	NA	NA
+MJ047325	Tiracizine 	C21H25N3O3	367.189591	NA	MeJP	NA	NA
+MJ047326	Crosemperine 	C19H29NO6	367.199487	NA	MeJP	NA	NA
+MJ047327	Senkirkine; 1R,2-Dihydro 	C19H29NO6	367.199487	NA	MeJP	NA	NA
+MJ047328	N-(1-Cyclohexylethyl)-1-ethyl-6-nitro-1H-pyrazolo[3,4-b]quinolin-4-amine 	C20H25N5O2	367.200825	NA	MeJP	NA	NA
+8002	synthetic peptide	LHV	367.21	antibacterial	Inhouse_peptide	NA	peptide
+MJ047329	Terbutaline, 3,5-Bis(dimethylcarbamate) 	C18H29N3O5	367.210721	NA	MeJP	NA	NA
+C07852	Propiverine	C23H29NO3	367.2147	NA	KEGG	NA	NA
+MJ047330	Benzethidine 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047331	Carbazomadurin B 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047332	Conorfone 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047333	Fenbutrazate 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047334	Lycopecurine; 2?-Benzoyloxy 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047335	Phenoperidine 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047336	Piperundecalidine 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047337	Propiverine 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+MJ047338	Pubescinine 	C23H29NO3	367.214743	NA	MeJP	NA	NA
+PJ000590	VLH 	C17H29N5O4	367.222	NA	PeJP	NA	NA
+MJ047339	Brevicompanine A 	C22H29N3O2	367.225977	NA	MeJP	NA	NA
+MJ047340	Fructigenine B; N-De-Ac 	C22H29N3O2	367.225977	NA	MeJP	NA	NA
+MJ047341	Kalihinene X 	C21H34ClNO2	367.227807	NA	MeJP	NA	NA
+MJ047342	Trachelanthamine; 8-Epimer, O-tigloyl 	C20H33NO5	367.235873	NA	MeJP	NA	NA
+MJ047343	Blonanserin 	C23H30FN3	367.242376	NA	MeJP	NA	NA
+HMDB13331	3, 5-Tetradecadiencarnitine	C21H37NO4	367.272247	NA	HMDB2010	NA	NA
+MJ047344	2-(Aminomethyl)-2-propenoic acid; N-(2-Oxohexadecanoyl), Me ester 	C21H37NO4	367.272258	NA	MeJP	NA	NA
+MJ047345	2-Pentadecyl-4(1H)-quinolinone; 10',11'-Didehydro, N-Me, (Z-) 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047346	2-Pentadecyl-4(1H)-quinolinone; 6',7'-Didehydro, N-Me, (Z-) 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047347	2-Pentadecyl-4(1H)-quinolinone; 9',10'-Didehydro, N-Me (Z-) 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047348	Cyclobuxaphylamine 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047349	Cyclobuxomicreinine 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047350	Cyclobuxophylline O; 1,2-Didehydro, N-Me 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047351	Cyclomicrobuxeine K 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047352	Cyclosuffrobuxinine M; N-Me 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047353	Semperviraminone; N-De-Me 	C25H37NO	367.287514	NA	MeJP	NA	NA
+MJ047354	Benzyldimethyl(tetradecyl)ammonium(1+); Chloride 	C23H42ClN	367.300578	NA	MeJP	NA	NA
+MJ047355	2-(Aminomethyl)-2-propenoic acid; N-(15-Methylhexadecanoyl), Me ester 	C22H41NO3	367.308644	NA	MeJP	NA	NA
+MJ047356	2-(Aminomethyl)-2-propenoic acid; N-(Methylhexadecanoyl), Me ester 	C22H41NO3	367.308644	NA	MeJP	NA	NA
+MJ047357	2-(Aminomethyl)-2-propenoic acid; N-Heptadecanoyl, Me ester 	C22H41NO3	367.308644	NA	MeJP	NA	NA
+3658	NA	ITDFQI	367.68395	MH2+	Inhouse_peptide	NA	peptide
+C14301	Dicofol	C14H9Cl5O	367.9096	NA	KEGG	NA	NA
+MJ047358	Nolinium(1+); Bromide 	C15H11BrCl2N2	367.948266	NA	MeJP	NA	NA
+MJ047359	9-Chloro-7,12-dihydro-6,8-dihydroxy-7,12-dioxobenz[a]anthracene-2-carboxylic acid 	C19H9ClO6	368.008765	NA	MeJP	NA	NA
+MJ047360	3-(3,4-Dihydroxyphenyl)-2,3-dihydro-2-hydroxy-1,4-benzodioxin-6-carboxaldehyde; 2-Sulfate 	C15H12O9S	368.020202	NA	MeJP	NA	NA
+MJ047361	Chlormerodrin 	C5H11ClHgN2O2	368.02153	NA	MeJP	NA	NA
+MJ047362	Caloploicin; 7-Dechloro 	C17H14Cl2O5	368.021828	NA	MeJP	NA	NA
+MJ047363	Diploicin; 4,9-Bisdechloro, Me ether 	C17H14Cl2O5	368.021828	NA	MeJP	NA	NA
+MJ047364	Vicanicin; O-De-Me 	C17H14Cl2O5	368.021828	NA	MeJP	NA	NA
+MJ047365	Orotidine; 5'-Phosphate 	C10H13N2O11P	368.025695	NA	MeJP	NA	NA
+MJ047366	Orotidine 5'-phosphate 	C10H13N2O11P	368.025695	NA	MeJP	NA	NA
+HMDB00218	Orotidylic acid	C10H13N2O11P	368.025696	NA	HMDB2010	NA	NA
+MetaCyc03221	orotidine-5'-phosphate []	C10H13N2O11P1	368.025696	2149-82-8	metacyc	NA	NA
+HMDB00218	Orotidylic acid	C10H13N2O11P	368.0257	http://www.hmdb.ca/metabolites/HMDB00218	HMDB	NA	NA
+C01103	Orotidine 5'-phosphate	C10H13N2O11P	368.0257	NA	KEGG	NA	NA
+HMDB00218	Orotidylic acid	C10H13N2O11P	368.0257	HMDB00218	PFEM_hmdb_metabocards_official	NA	NA
+MJ047367	Chloromonilinic acid B; 14-Hydroxy 	C16H13ClO8	368.029895	NA	MeJP	NA	NA
+MJ047368	5-Iodo-7-(1-piperidinylmethyl)-8-quinolinol 	C15H17IN2O	368.038556	NA	MeJP	NA	NA
+MJ047369	Palmarumycin CP1; 6-Chloro, 2?,3?-epoxide, 4?-alcohol 	C20H13ClO5	368.045151	NA	MeJP	NA	NA
+MJ047370	Xestoquinone; 14-Hydroxy, 15-chloro 	C20H13ClO5	368.045151	NA	MeJP	NA	NA
+MJ047371	Xestoquinone; 15-Hydroxy, 14-chloro 	C20H13ClO5	368.045151	NA	MeJP	NA	NA
+C15300	Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-7-chloro-4,6-dimethoxy-6'-	C17H17ClO5S	368.0485	NA	KEGG	NA	NA
+MJ047372	Gliotoxin; Ac 	C15H16N2O5S2	368.050063	NA	MeJP	NA	NA
+MJ047373	4,5-Dihydroxyanthraquinone-2-carboxylic acid; Di-Ac 	C19H12O8	368.053217	NA	MeJP	NA	NA
+MJ047374	Boennin 	C19H12O8	368.053217	NA	MeJP	NA	NA
+MJ047375	Antibiotic SF 2543 	C20H16O5S	368.071844	NA	MeJP	NA	NA
+PJ000591	GSCC 	C11H20N4O6S2	368.0824	NA	PeJP	NA	NA
+MJ047376	Pyritinol 	C16H20N2O4S2	368.086448	NA	MeJP	NA	NA
+MJ047377	Thunbergioside; 5-Deoxy 	C14H21ClO9	368.087409	NA	MeJP	NA	NA
+MJ047378	Palythine-threonine; 7-O-Sulfate 	C12H20N2O9S	368.08895	NA	MeJP	NA	NA
+C10194	Velloquercetin	C20H16O7	368.0896	NA	KEGG	NA	NA
+C12401	PD116740	C20H16O7	368.0896	NA	KEGG	NA	NA
+FL3FRNNF0001	Artoindonesianin P;O,O'-Didemethylartonin L;O-Demethylartonin K;5a,6-Dihydro-1,3,8,10-tetrahydroxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one	C20H16O7	368.0896	148719-53-3	knapsack	NA	NA
+FL3FRNNP0001	(+)-Cyclochampedol;Cyclochampedol;(+)-2,3,8,10-Tetrahydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C20H16O7	368.0896	180845-64-1	knapsack	NA	NA
+FL5FACNF0001	Velloquercetin	C20H16O7	368.0896	139955-63-8	knapsack	NA	NA
+FLIE1ANP0004	Corylidin	C20H16O7	368.0896	63109-31-9	knapsack	NA	NA
+FLIFALNF0002	Malaccol	C20H16O7	368.0896	478-07-9	knapsack	NA	NA
+FLIFHXNF0003	12a-Hydroxyerosone	C20H16O7	368.0896	66322-32-5	knapsack	NA	NA
+FLIG1LNF0001	Lupinalbin E	C20H16O7	368.0896	98113-95-2	knapsack	NA	NA
+FLIG1LNF0002	Lupinalbin C	C20H16O7	368.0896	98094-86-1	knapsack	NA	NA
+MJ047379	1,8-Dihydroxy-3-(methoxycarbonylmethyl)-2-(1-oxopropyl)anthraquinone 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047380	1-(6-Hydroxy-4,7-dimethoxy-5-benzofuranyl)-3-(3,4-methylenedioxyphenyl)-2-propen-1-one 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047381	12a-Hydroxyerosone 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047382	2-[2-(2,4-Dihydroxy-6-methylbenzoyl)-3-hydroxybenzyl]-6-hydroxy-4H-1-pyran-4-one 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047383	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Di-Me ether 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047384	3,4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',5-Di-Me ether 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047385	3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7'-Oxo 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047386	3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7-Oxo 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047387	Alterperylenol; 5,6-Dihydro, 6?-hydroxy 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047388	Antibiotic C 122 VI; 2-(or3-)-Hydroxy 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047389	Antibiotic PD 116740 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047390	Antibiotic S 383-0 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047391	Antibiotic SM 173B 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047392	Antibiotic Sch 49211; 6,7-Dihydro 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047393	Antibiotic UCT 1072M2 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047394	Aptosimol, 9-Ketone (lactone) 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047395	Aversin 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047396	Averufin 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047397	Calocedrin 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047398	Candidusin A; 3'-Hydroxy 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047399	Corylidin 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047400	Cyclocommunol; 5'-Hydroxy 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047401	Deoxyaverufinone 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047402	Gmelanone 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047403	Lupinalbin C 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047404	Lupinalbin E 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047405	Lupinalbin G 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047406	Malaccol 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047407	Naphthgeranine F 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047408	Paeciloquinone E 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047409	Palmarumycin C15 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047410	Parvisoflavone A; 4''-Hydroxy 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047411	Preussomerin A; 2',3'-Dihydro 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047412	Velloquercetin 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047413	Versicolorone 	C20H16O7	368.089602	NA	MeJP	NA	NA
+MJ047414	Ketazolam 	C20H17ClN2O3	368.09277	NA	MeJP	NA	NA
+MetaCyc03222	7-hydroxy-2-oxindole-3-aceate glucoside [7-hydroxy-2-indolinone-3-acetic acid-7'-o-glucoside;7-(o-&beta;-glucopyranosyl)-2-oxindole-3-acetic acid;]	C16H18N1O9	368.098156	NA	metacyc	NA	NA
+C01314	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-	C16H20N2O6S	368.1042	NA	KEGG	NA	NA
+C16517	Indolylmethyl-desulfoglucosinolate	C16H20N2O6S	368.1042	NA	KEGG	NA	NA
+MetaCyc03223	indolylmethyl-desulfoglucosinolate []	C16H20N2O6S1	368.104207	NA	metacyc	NA	NA
+MJ047415	Radermachol 	C24H16O4	368.104859	NA	MeJP	NA	NA
+C02572	O-Feruloylquinate	C17H20O9	368.1107	NA	KEGG	NA	NA
+MJ047416	3-O-Caffeoylquinic acid, 3'-Me ether 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047417	4,7-Dihydroxy-5-methyl-2H-1-benzopyran-2-one; 4-Me ether, 7-O-?-D-glucopyranoside 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047418	4-O-Caffeoylquinic acid; Me ester 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047419	5,7-Dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 7-O-?-D-Glucopyranoside 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047420	5-O-Caffeoylquinic acid, Me ester 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047421	6-(3,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one, 4'-O-?-D-Glucopyranoside 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047422	6-Hydroxy-5-benzofuranpropanoic acid; O-?-D-Glucopyranoside 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047423	Bishopantholide; 2?,3?-Epoxide 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MJ047424	Neoliacinolide C 	C17H20O9	368.110732	NA	MeJP	NA	NA
+MetaCyc03224	O-Feruloylquinate []	C17H20O9	368.110732	NA	metacyc	NA	NA
+MJ047425	Phenacizol 	C18H16N4O5	368.112069	NA	MeJP	NA	NA
+MetaCyc03225	trans-3-hydroxycotinine-glucuronide []	C16H20N2O8	368.121966	NA	metacyc	NA	NA
+HMDB01204	trans-3-Hydroxycotinine glucuronide	C16H20N2O8	368.121979	NA	HMDB2010	NA	NA
+HMDB01204	trans-3-Hydroxycotinine glucuronide	C16H20N2O8	368.12198	http://www.hmdb.ca/metabolites/HMDB01204	HMDB	NA	NA
+HMDB01204	trans-3-Hydroxycotinine glucuronide	C16H20N2O8	368.12198	HMDB01204	PFEM_hmdb_metabocards_official	NA	NA
+MJ047426	1-Deaza-2-chloro-N6-cyclopentyladenosine 	C16H21ClN4O4	368.125132	NA	MeJP	NA	NA
+JH226	Curcumin [M+H]+	C21H20O6	368.1254	21.48	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH226	Curcumin [M+H]+	C21H20O6	368.1254	21.48	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH226	Curcumin [M+H]+	C21H20O6	368.1254	21.48	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH226	Curcumin [M+H]+	C21H20O6	368.1254	21.48	Inhousejuil11	NA	NA
+HMDB02269	Curcumin	C21H20O6	368.125977	NA	HMDB2010	NA	NA
+HMDB02269	Curcumin	C21H20O6	368.12598	http://www.hmdb.ca/metabolites/HMDB02269	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02269	Curcumin	C21H20O6	368.12598	http://www.hmdb.ca/metabolites/HMDB02269	HMDB	NA	NA
+FL1CE9NI0001	3'-Angeloyloxy-2',4'-dihydroxy-6'-methoxychalcone	C21H20O6	368.12598	116988-10-4	knapsack	NA	NA
+FL2FAANP0015	(2S)-4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C21H20O6	368.12598	466689-44-1	knapsack	NA	NA
+FL2FADNP0003	Abyssinin I;Abyssinoflavanone I;(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone	C21H20O6	368.12598	183990-13-8	knapsack	NA	NA
+FL2FAENP0001	(2S)-5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C21H20O6	368.12598	417705-70-5	knapsack	NA	NA
+FL3FADNI0002	Cannflavin B;6-Prenylchrysoeriol;Canniflavone;Canniflavone 1;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C21H20O6	368.12598	76735-58-5	knapsack	NA	NA
+FL3FADNP0002	Ciliatin B;3,4-Dihydro-5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one	C21H20O6	368.12598	539826-42-1	knapsack	NA	NA
+FL3FALNI0008	Integrin	C21H20O6	368.12598	60791-49-3	knapsack	NA	NA
+FL3FBANI0001	4'-Hydroxy-5-methoxy-7-(3-methyl-2,3-epoxybutoxy)flavone	C21H20O6	368.12598	94390-12-2	knapsack	NA	NA
+FL3FEANS0011	5-Allyloxysalvigenin	C21H20O6	368.12598	87200-85-9	knapsack	NA	NA
+FL3FRNNR0007	Cyclointegrin;7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one	C21H20O6	368.12598	60791-48-2	knapsack	NA	NA
+FL5FABNI0001	3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone	C21H20O6	368.12598	128508-12-3	knapsack	NA	NA
+FL5FBANI0001	Sophoflavescenol;3,7-Dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C21H20O6	368.12598	216450-65-6	knapsack	NA	NA
+FL5FCANI0001	Isoanhydroicaritin	C21H20O6	368.12598	28610-30-2	knapsack	NA	NA
+FL5FDANF0004	Ugonin C;(-)-8,9-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one	C21H20O6	368.12598	50868-48-9	knapsack	NA	NA
+FL5FDANI0001	5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone	C21H20O6	368.12598	145631-54-5	knapsack	NA	NA
+FL5FDANI0002	Topazolin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C21H20O6	368.12598	109605-79-0	knapsack	NA	NA
+FLIA1LNI0004	Kwakhurin;7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone	C21H20O6	368.12598	111922-23-7	knapsack	NA	NA
+FLIAADNI0001	2'-Deoxypiscerythrone;5,7,4'-Trihydroxy-3'-methoxy-5'-prenylisoflavone	C21H20O6	368.12598	95261-30-6	knapsack	NA	NA
+FLIAADNI0002	5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone	C21H20O6	368.12598	120727-35-7	knapsack	NA	NA
+FLIAAENI0002	Gancaonin B;5,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone	C21H20O6	368.12598	124596-86-7	knapsack	NA	NA
+FLIAALNI0012	Gancaonin N;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone	C21H20O6	368.12598	129145-52-4	knapsack	NA	NA
+FLIAALNI0013	Barpisoflavone B;7,2',4'-Trihydroxy-5-methoxy-8-prenylisoflavone	C21H20O6	368.12598	104703-88-0	knapsack	NA	NA
+FLIABCNI0001	Glisoflavone;7,3',4'-Trihydroxy-5-methoxy-5'-prenylisoflavone	C21H20O6	368.12598	125709-32-2	knapsack	NA	NA
+FLIAEANI0001	Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone	C21H20O6	368.12598	87457-87-2	knapsack	NA	NA
+FLIAFANI0001	Aurmillone;5,7-Dihydroxy-8-methoxy-4'-prenyloxyisoflavone	C21H20O6	368.12598	68415-32-7	knapsack	NA	NA
+FLIBALNP0003	Isosophoronol	C21H20O6	368.12598	64280-19-9	knapsack	NA	NA
+FLIBBCNP0001	Glycyrrhisoflavanone	C21H20O6	368.12598	116709-69-4	knapsack	NA	NA
+FLIC2LNP0001	Leiocinol	C21H20O6	368.12598	66446-89-7	knapsack	NA	NA
+FLID1CNP0004	Neorautanol	C21H20O6	368.12598	76165-13-4	knapsack	NA	NA
+FLIDHXNF0006	9-O-Methylglyceofuran	C21H20O6	368.12598	78876-29-6	knapsack	NA	NA
+FLIHALNI0002	Glycycoumarin	C21H20O6	368.12598	94805-82-0	knapsack	NA	NA
+FLIHALNI0003	Licoarylcoumarin	C21H20O6	368.12598	125709-31-1	knapsack	NA	NA
+FLIHALNP0001	Isoglycycoumarin	C21H20O6	368.12598	117038-82-1	knapsack	NA	NA
+HMDB02269	Curcumin	C21H20O6	368.12598	http://www.hmdb.ca/metabolites/HMDB02269	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02269	Curcumin	C21H20O6	368.12598	HMDB02269	PFEM_hmdb_metabocards_official	NA	NA
+MJ047427	1,3,6,8-Tetrahydroxy-2-(3-methyl-2-butenyl)anthraquinone; 6,8-Di-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047428	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2?-Methoxy-3-methyl-3-butenyl) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047429	1-(3,4-Dimethoxyphenyl)-2,3-bis(hydroxymethyl)-6,7-methylenedioxynaphthalene 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047430	17(15?16),18(4?3)-Bisabeo-12,16-epoxy-11-hydroxy-3,5,8,11,13-abietapentaen-7-one; 2-Oxo, 6-methoxy, 14-hydroxy, 15,16-didehydro 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047431	2',3',4',6'-Tetrahydroxychalcone; 6'-Me ether, 3'-angeloyl 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047432	2',4',5',7-Tetrahydroxy-3'-prenylisoflavone; 5'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047433	2',4',5',7-Tetrahydroxy-6'-prenylisoflavone; 5'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047434	2',4',5,7-Tetrahydroxy-3-prenylflavone; 7-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047435	2',4',5,7-Tetrahydroxy-6-prenylisoflavone; 4'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047436	2',4',5,7-Tetrahydroxy-8-prenylflavone; 7-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047437	2',4',5,7-Tetrahydroxy-8-prenylisoflavone; 5-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047438	2',4',6',7-Tetrahydroxy-3'-prenylisoflavone; 2'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047439	2,5,7-Trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 2-O-(4-Methoxyphenyl) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047440	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 3'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047441	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 4'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047442	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 5-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047443	3',4',5,7-Tetrahydroxy-6-prenylflavone; 3'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047444	3',4',5,7-Tetrahydroxy-6-prenylisoflavone; 3'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047445	3',4',5,7-Tetrahydroxy-6-prenylisoflavone; 4'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047446	3',4',5,7-Tetrahydroxy-8-prenylisoflavone; 3'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047447	3,4',5,7-Tetrahydroxy-6-prenylflavone; 3-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047448	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047449	3,4',5,7-Tetrahydroxy-8-prenylflavone; 5-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047450	3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047451	3-(3,4-Dimethoxybenzylidene)-4,5-dihydro-4-(3,4-methylenedioxybenzyl)-2(3H)furanone 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047452	3-(5-Hydroxy-1,4-dioxo-5-prenyl-2-cyclohexen-2-yl)-7-methoxycoumarin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047453	4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether, 4'-O-(3-methyl-2-butenyl) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047454	4',5,7-Trihydroxy-3-methoxyflavone; 4'-O-(3-Methyl-2-butenyl) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047455	4',5,7-Trihydroxy-6-methoxyisoflavone; 4'-O-(3-Methyl-2-butenyl) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047456	4',5,7-Trihydroxyflavone; 7-O-(2,3-Epoxy-3-methylbutyl), 5-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047457	4-(3,4-Dimethoxybenzyl)-4,5-dihydro-3-(3,4-methylenedioxybenzylidene)-2(3H)-furanone 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047458	4-[[3-(4,5-Dihydro-5,5-dimethyl-4-oxo-2-furanyl)butyl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047459	5-Hydroxy-4',6,7-trimethoxyflavone; 5-O-(2-Propenyl) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047460	8-(1,1-Dimethyl-2-propenyl)-3,4',5,7-tetrahydroxyflavone; 4'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047461	Averythrin, 6-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047462	Cabenegrin A I 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047463	Curcumin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047464	Cyclocurcumin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047465	Cyclointegrin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047466	Daunomycin; Aglycone, 6,11-dideoxy, 13-alcohol 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047467	Ebenfuran III 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047468	Egonol; Ac 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047469	Gancaonin W 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047470	Garvin B 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047471	Glyceofuran; 9-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047472	Glycyrin; 7-O-De-Me 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047473	Glycyrrhisoflavanone 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047474	Glycyrrhizaisoflavone C 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047475	Guayadequiene 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047476	Isoglycycoumarin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047477	Isosophoronol 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047478	Leiocin, 6-Hydroxy 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047479	Licoarylcoumarin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047480	Mollicellin D; 4-Aldehyde, dechloro 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047481	Mollicellin G 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047482	Morelensin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047483	Mutactimycin A; De(glycosyloxy) 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047484	Neorautane; 2?-Hydroxy 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047485	Pabulenol, 2'-O-Angeloyl 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047486	Piloquinone; 4-Hydroxy 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047487	Polygamatin 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047488	Secundiflorol B; 5-Deoxy 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047489	Sigmoidin C, 8'-Me ether 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047490	Ugonin C 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MJ047491	Vismiaquinone B 	C21H20O6	368.125988	NA	MeJP	NA	NA
+MetaCyc03226	7-O-methylluteone [3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one;]	C21H20O6	368.125988	NA	metacyc	NA	NA
+C07290	7-O-Methylluteone	C21H20O6	368.126	NA	KEGG	NA	NA
+C07291	Dihydrofurano derivative	C21H20O6	368.126	NA	KEGG	NA	NA
+C07292	Glutaredoxin	C21H20O6	368.126	NA	KEGG	NA	NA
+C07293	Glutaredoxin disulfide	C21H20O6	368.126	NA	KEGG	NA	NA
+C10443	Curcumin	C21H20O6	368.126	NA	KEGG	NA	NA
+C10551	5'-Demethoxydeoxypodophyllotoxin	C21H20O6	368.126	NA	KEGG	NA	NA
+C11580	8-(1,1-DMA)kaempferide	C21H20O6	368.126	NA	KEGG	NA	NA
+MJ047492	Iclazepam 	C21H21ClN2O2	368.129155	NA	MeJP	NA	NA
+MJ047493	N-[2-Chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl]benzamide 	C21H21ClN2O2	368.129155	NA	MeJP	NA	NA
+MJ047494	8,11,13-Abietatrien-18-oic acid; 12,14-Dichloro 	C20H26Cl2O2	368.130985	NA	MeJP	NA	NA
+MJ047495	3-O-?-L-Rhamnopyranosyl-D-galactose; 2-Ac 	C14H24O11	368.131861	NA	MeJP	NA	NA
+MJ047496	3-O-?-L-Rhamnopyranosyl-D-galactose; 6-Ac 	C14H24O11	368.131861	NA	MeJP	NA	NA
+MJ047497	18-Bromo-5,17-octadecadien-15-ynoic acid, Me ester 	C19H29BrO2	368.135092	NA	MeJP	NA	NA
+MJ047498	18-Bromo-5,17-octadecadien-7-ynoic acid, Me ester 	C19H29BrO2	368.135092	NA	MeJP	NA	NA
+MJ047499	Aquiledine 	C20H20N2O5	368.137221	NA	MeJP	NA	NA
+MJ047500	Isoaquiledine 	C20H20N2O5	368.137221	NA	MeJP	NA	NA
+C11796	U 50488	C19H26Cl2N2O	368.1422	NA	KEGG	NA	NA
+MJ047501	3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide 	C19H26Cl2N2O	368.142218	NA	MeJP	NA	NA
+MJ047502	Drosopterin 	C15H16N10O2	368.145769	NA	MeJP	NA	NA
+MJ047503	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Me ether, 8-Ac 	C18H24O8	368.147117	NA	MeJP	NA	NA
+MJ047504	2-Phenylethanol; O-(2,6-Di-O-acetyl-?-D-glucopyranoside) 	C18H24O8	368.147117	NA	MeJP	NA	NA
+MJ047505	5,8-Dihydro-2,7-dimethyl-1,4-naphthalenediol; 1''-Hydroxy, 1-O-?-D-glucopyranoside 	C18H24O8	368.147117	NA	MeJP	NA	NA
+MJ047506	9-Hydroxy-10-undecene-5,7-diynoic acid, O-?-D-Glucopyranoside, Me ester 	C18H24O8	368.147117	NA	MeJP	NA	NA
+MJ047507	Hyptolide 	C18H24O8	368.147117	NA	MeJP	NA	NA
+MJ047508	Macrosphelide H 	C18H24O8	368.147117	NA	MeJP	NA	NA
+MJ047509	Synargentolide A 	C18H24O8	368.147117	NA	MeJP	NA	NA
+3280	NA	ACDCRGDCFCG	368.1509	MH2+	Inhouse_peptide	NA	peptide
+MJ047510	Fludoxopone 	C21H21FN2O3	368.15362	NA	MeJP	NA	NA
+FL1CDANI0001	4'-O-Methylxanthohumol	C22H24O5	368.16237	123316-63-2	knapsack	NA	NA
+FL2FA9NI0017	Quercetol C	C22H24O5	368.16237	119061-08-4	knapsack	NA	NA
+FL2FA9NI0018	Epoxycandidone	C22H24O5	368.16237	109770-91-4	knapsack	NA	NA
+FL2FCBNI0001	Flowerine;5-Hydroxy-7,4'-dimethoxy-8-prenylflavanone	C22H24O5	368.16237	70872-28-5	knapsack	NA	NA
+FL2FQUNR0001	Louisfieserone A	C22H24O5	368.16237	66641-50-7	knapsack	NA	NA
+FL2FQUNR0002	Louisfieserone B	C22H24O5	368.16237	75801-77--3	knapsack	NA	NA
+FLIC1LNP0008	Sphaerosinin;Spherosinin	C22H24O5	368.16237	56495-96-6	knapsack	NA	NA
+FLIDBBNI0001	Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan	C22H24O5	368.16237	37706-55-1	knapsack	NA	NA
+FLIDBBNP0002	Edulane	C22H24O5	368.16237	37706-59-5	knapsack	NA	NA
+MJ047511	1,3,9-Trihydroxy-2-prenylpterocarpan; 1,3-Di-Me ether 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047512	1,3,9-Trihydroxy-2-prenylpterocarpan; 1,9-Di-Me ether 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047513	2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; 4',6'-Di-Me ether 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047514	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-O-(3,7-Dimethyl-2,6-octadienyl), 4-Me ether 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047515	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 9-O-(3,7-Dimethyl-2,6-octadienyl), 4-Me ether 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047516	5,7-Dihydroxy-8-prenylflavanone, 5,7-Di-Me ether, 2'',3''-epoxide 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047517	Garugamblin 1; 3-Methoxy 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047518	Garuganin 1 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047519	Garuganin II 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047520	Garveatin C 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047521	Glyasperin H 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047522	Louisfieserone 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047523	Neorautenol; 13-Methoxy, Me ether, 1,2-dihydro 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047524	Pseudocalanolide C; 6- or 7-Epimer, 8-ketone 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047525	Pseudocalanolide C; 8-Ketone 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047526	Quercetol C 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MJ047527	Spherosinin 	C22H24O5	368.162373	NA	MeJP	NA	NA
+MetaCyc03227	4'-O-methylxanthohumol []	C22H24O5	368.162374	NA	metacyc	NA	NA
+C15145	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone	C22H24O5	368.1624	NA	KEGG	NA	NA
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR519	Dehydroepiandrosterone sulphate F1	NA	368.163525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ047528	4-[4-(4-Fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]cyclohexanol 	C20H21FN4O2	368.164854	NA	MeJP	NA	NA
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.1657	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.1657	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.1657	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.1657	Wishlist	Inhousejuil11	NA	NA
+C04555	Dehydroepiandrosterone sulfate	C19H28O5S	368.1657	NA	KEGG	NA	NA
+HMDB01032	DHEA sulfate	C19H28O5S	368.16574	http://www.hmdb.ca/metabolites/HMDB01032	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01032	DHEA sulfate	C19H28O5S	368.16574	http://www.hmdb.ca/metabolites/HMDB01032	HMDB	NA	NA
+HMDB02833	Testosterone sulfate	C19H28O5S	368.16574	http://www.hmdb.ca/metabolites/HMDB02833	HMDB	NA	NA
+HMDB01032	DHEA sulfate	C19H28O5S	368.16574	http://www.hmdb.ca/metabolites/HMDB01032	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01032	DHEA sulfate	C19H28O5S	368.16574	HMDB01032	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02833	Testosterone sulfate	C19H28O5S	368.16574	HMDB02833	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01032	DHEA sulfate	C19H28O5S	368.165741	NA	HMDB2010	NA	NA
+HMDB02833	Testosterone sulfate	C19H28O5S	368.165741	NA	HMDB2010	NA	NA
+HMDB13230	Epitestosterone sulfate	C19H28O5S	368.165741	NA	HMDB2010	NA	NA
+MJ047529	3-Hydroxyandrost-5-en-17-one, 3-Sulfate 	C19H28O5S	368.165744	NA	MeJP	NA	NA
+MJ047530	3beta-Hydroxyandrost-5-en-17-one 3-sulfate 	C19H28O5S	368.165744	NA	MeJP	NA	NA
+MetaCyc03228	dehydro-epiandrosterone-sulfate [dehydroepiandrosterone-sulfate;dehydroisoandrosterone sulfate;DHEA sulfate;]	C19H28O5S1	368.165745	651-48-9	metacyc	NA	NA
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	HMDB	NA	NA
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	Inhouse_PFEM	NA	NA
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR102	DehydroepiandrosteroneSulfate	C19H28O5S	368.165747	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0565	Testosterone sulfate [(M-H)]-	C19H27O5S	368.166325	C18rt(min)=8.65 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0566	Dehydroisoandrosterone sulfate [(M-H)]-	C19H27O5S	368.166325	C18rt(min)=8.28 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0565	Testosterone sulfate [(M-H)]-	C19H27O5S	368.166325	C18rt(min)=8.65 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0566	Dehydroisoandrosterone sulfate [(M-H)]-	C19H27O5S	368.166325	C18rt(min)=8.28 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ047531	2-Butanol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C15H28O10	368.168247	NA	MeJP	NA	NA
+MJ047532	1,1'-(2,5-Dihydroxy-1,4-cyclohexanediyl)bis[3-methyl-2,5-piperazinedione] 	C16H24N4O6	368.169584	NA	MeJP	NA	NA
+MJ047533	3-Bromo-7,14-labdadien-13-ol, ?8(17)-Isomer 	C20H33BrO	368.171478	NA	MeJP	NA	NA
+MJ047534	3-Bromo-7,14-labdadien-13-ol 	C20H33BrO	368.171478	NA	MeJP	NA	NA
+MJ047535	Barekoxide; 3?-Bromo 	C20H33BrO	368.171478	NA	MeJP	NA	NA
+MJ047536	Bromocorodienol 	C20H33BrO	368.171478	NA	MeJP	NA	NA
+MJ047537	Prepinnaterpene 	C20H33BrO	368.171478	NA	MeJP	NA	NA
+MJ047538	Secoisoaplysin 20 	C20H33BrO	368.171478	NA	MeJP	NA	NA
+C03309	Strictosidine aglycone	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C03310	Supercoiled plasma DNA	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C09045	Baloxine	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C09227	Mitraphylline	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C11677	Horhammericine	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C11678	Dialdehyde	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C17593	Uncarine A	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C17594	Uncarine B	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C17595	Uncarine C	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C17596	Uncarine D	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C17597	Uncarine E	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+C17598	Uncarine F	C21H24N2O4	368.1736	NA	KEGG	NA	NA
+MJ047539	14,15-Seco-3-oxokopsinal 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047540	16,17-Dihydro-17-hydroxy-19-epicathenamine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047541	Ajmalicine hydroxyindolenine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047542	Akuammicine, 11-Methoxy, 19,20?-epoxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047543	Akuammicine, 11-Methoxy, Nb-oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047544	Akuammicine, 12-Methoxy, 19?,20?-epoxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047545	Akuammigine, (4R)-N-Oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047546	Akuammigine, (4S)-N-Oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047547	Akuammiline; 10-Hydroxy, O-de-Ac 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047548	Akuammiline; O-De-Ac, 16-epimer, N4-oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047549	Alstonisine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047550	Apogeissoschizine; 2,7-Dihydro, 2?,7?-dihydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047551	Aspidoalbidine; N-Ac, 12-hydroxy, 18-oxo 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047552	Baloxine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047553	Caracurine VII; 3?-Hydroxy, Na-Ac 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047554	Caracurine VII; Na-Ac, Nb-oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047555	Cathaphylline 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047556	Cathenamine; 16,17-Dihydro, 17-hydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047557	Cathovalinine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047558	Chelonin A 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047559	Coronaridine, 6-Oxo, 5-hydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047560	Corymine; N-De-Me 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047561	Cyclarbamate 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047562	Dichotamine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047563	Eburnaphylline 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047564	Echitamidine, Na-Formyl 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047565	Eglandine; 3-Ketone, 19-hydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047566	Epimisiline 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047567	Ervinidine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047568	Hedrantherine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047569	Henningsiine; 16-Hydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047570	Henningsiine; Nb-Oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047571	Herbamine; N-De-Me 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047572	Heyneanine; 19-Epimer, 3-oxo 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047573	Hoerhammericine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047574	Isocorymine; N4-De-Me 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047575	Kopsaporine; N-De(carbomethoxy) 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047576	Kopsinine; 3-Oxo, hydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047577	Lanceomigine; N-De-Me 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047578	Mitraphylline 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047579	Perivine; N4-Me, N4-oxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047580	Petchicine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047581	Picraline; O-De-Ac 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047582	Rauniticine oxindole A 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047583	Rauniticine pseudoindoxyl 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047584	Rauniticine; 14?-Hydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047585	Tabernulosine; 12-Demethoxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047586	Tabersonine, 11,19R-Dihydroxy 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047587	Tabersonine, 11-Hydroxy, 1?,2-epoxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047588	Talbotine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047589	Tetrahydroalstonine; Nb-Oxide (R-) 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047590	Uncarine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047591	Venalstonine; 19?-Hydroxy, 6?, 7?-epoxide 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047592	Vincaminine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047593	Vincapusine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047594	Vincaricine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047595	Vincoline 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MJ047596	Voacarpine 	C21H24N2O4	368.173607	NA	MeJP	NA	NA
+MetaCyc03229	strictosidine-aglycone []	C21H24N2O4	368.173607	NA	metacyc	NA	NA
+MJ047597	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Phosphate 	C19H29O5P	368.17526	NA	MeJP	NA	NA
+MJ047598	Arildone 	C20H29ClO4	368.175437	NA	MeJP	NA	NA
+8058	synthetic peptide	RHG	368.18	antioxidative	Inhouse_peptide	NA	peptide
+PJ000592	VNH 	C15H24N6O5	368.1808	NA	PeJP	NA	NA
+MJ047599	1,4-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl) 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047600	3,10-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl) 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047601	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-(2-Methylpropanoyl), 5-(4-hydroxy-2-methyl-2-butenoyl) 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047602	Doliculol A; 7-Ac 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047603	Eurycomalactone; 2?-Alcohol, 3,4?-dihydro, 6?-hydroxy 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047604	Hymenoxon; 2?-Acetoxy, 4-Et ether 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047605	Longilactone; 2?-Alcohol, ?4(18)-isomer 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047606	Punctaporonin C 	C19H28O7	368.183503	NA	MeJP	NA	NA
+MJ047607	Fagarine III 	C22H26NO4	368.186183	NA	MeJP	NA	NA
+PJ000593	GHR 	C14H24N8O4	368.1921	NA	PeJP	NA	NA
+2772	protease HIV1 inhibitor	LLEYSI	368.1945	MH2+	Inhouse_peptide	NA	peptide
+2777	protease HIV 1 inhibitor	LLEYSL	368.1945	MH2+	Inhouse_peptide	NA	peptide
+MJ047608	Zolenzepine 	C19H24N6O2	368.196074	NA	MeJP	NA	NA
+FL64A9NI0002	Quercetol B	C23H28O4	368.19875	119061-07-3	knapsack	NA	NA
+FL6FHYNI0001	Tephrowatsin D	C23H28O4	368.19875	97640-82-9	knapsack	NA	NA
+MJ047609	1,11-Bis(3-furanyl)-4,8-dimethyl-3,6,8-undecatrien-2-ol; Ac 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047610	1,11-Di-3-furanyl-4,8-dimethyl-1,4,8-undecatrien-6-ol, Ac 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047611	1-(2,4-Dihydroxyphenyl)-3,7-dimethyl-8-(4-methyl-2-furanyl)-3-vinyl-6-octen-1-one 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047612	4',5,7-Trihydroxy-6-prenylflavan; Tri-Me ether 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047613	6-Hydroxy-3,8-daucadien-2-one, 6-O-(4-Methoxybenzoyl) 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047614	Cardiopetalolactone 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047615	Quercetol B 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047616	Tephrowatsin D 	C23H28O4	368.198759	NA	MeJP	NA	NA
+MJ047617	6,9-Epithio-11,15-dihydroxy-5,13-prostadienoic acid 	C20H32O4S	368.20213	NA	MeJP	NA	NA
+PJ000594	GPPV 	C17H28N4O5	368.206	NA	PeJP	NA	NA
+MJ047618	13-Hydroxylupanine; O-Benzoyl 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047619	3,4-Seco-3,14-dehydrocabucraline 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047620	Ajmaline; 17-Ac 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047621	Aspidoalbidine; 12-Hydroxy, N-propanoyl 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047622	Aspidofractinine, 11,12-Dimethoxy, N1-formyl 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047623	Canembine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047624	Cathafoline; 10-Methoxy 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047625	Cathafoline; 11-Methoxy 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047626	Centpropazine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047627	Coronaridine, 3R-Methoxy 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047628	Corynantheidine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047629	Cylindrocarine, Demethoxy, N1-Ac 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047630	Dihydrocorynantheine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047631	Ervinceine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047632	Hirsutine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047633	Isovoacangine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047634	Limatine; 11-Methoxy 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047635	Malagashine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047636	Modecainide 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047637	Mollenine A 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047638	Pentamorphone 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047639	Pericyclivine; 11-Methoxy-19,20-dihydro, N1-Me 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047640	Pleiocarpinine; N-Oxide 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047641	Retuline; 16-Epimer, 11-methoxy 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047642	Strychnofendlerine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047643	Strychnospermine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047644	Strychnosplendine; N1-Ac, Me ether 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047645	Tortuosamine, N-Ac 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047646	Vincorine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047647	Voacangine 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047648	Yohimbine, Me ether 	C22H28N2O3	368.209992	NA	MeJP	NA	NA
+MJ047649	Cathafoline; 19?,20?-Epoxide, N4-Me 	C22H29N2O3(+)	368.209992	NA	MeJP	NA	NA
+MJ047650	Diploceline 	C22H29N2O3(+)	368.209992	NA	MeJP	NA	NA
+C15985	17-O-Acetylajmaline	C22H28N2O3	368.21	NA	KEGG	NA	NA
+C16953	Dihydrocorynantheine	C22H28N2O3	368.21	NA	KEGG	NA	NA
+C16972	Hirsutine	C22H28N2O3	368.21	NA	KEGG	NA	NA
+MJ047651	Hamiltonin B 	C21H33ClO3	368.211822	NA	MeJP	NA	NA
+PJ000595	PPR 	C16H28N6O4	368.2172	NA	PeJP	NA	NA
+HMDB01908	19-Hydroxy-PGE2	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB01979	6,15-Diketo,13,14-dihydro-PGF1a	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB03235	Prostaglandin G2	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB03247	20-Hydroxy-PGE2	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB04241	6-Ketoprostaglandin E1	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB05099	Thromboxane B3	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB12110	5(6)-Epoxy Prostaglandin E1	C20H32O6	368.219879	NA	HMDB2010	NA	NA
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04242	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04242	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04242	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04242	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01908	Eganoprost	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB01908	HMDB	NA	NA
+HMDB01979	6,15-diketo,13,14-dihydro-PGF1alpha	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB01979	HMDB	NA	NA
+HMDB03235	Prostaglandin G2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB03235	HMDB	NA	NA
+HMDB03247	20-hydroxy-PGE2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB03247	HMDB	NA	NA
+HMDB04241	6-Ketoprostaglandin E1	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04241	HMDB	NA	NA
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04242	HMDB	NA	NA
+HMDB05099	Thromboxane B3	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB05099	HMDB	NA	NA
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	http://www.hmdb.ca/metabolites/HMDB04242	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01908	Eganoprost	C20H32O6	368.21988	HMDB01908	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01979	6,15-diketo,13,14-dihydro-PGF1alpha	C20H32O6	368.21988	HMDB01979	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03235	Prostaglandin G2	C20H32O6	368.21988	HMDB03235	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03247	20-hydroxy-PGE2	C20H32O6	368.21988	HMDB03247	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04241	6-Ketoprostaglandin E1	C20H32O6	368.21988	HMDB04241	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04242	11-Dehydro-thromboxane B2	C20H32O6	368.21988	HMDB04242	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05099	Thromboxane B3	C20H32O6	368.21988	HMDB05099	PFEM_hmdb_metabocards_official	NA	NA
+MJ047652	1,10,17-Trihydroxymelfusanolide 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047653	10(20)-Grayanotoxene-3,5,6,11,14,16-hexol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047654	10(20)-Grayanotoxene-3,5,6,12,14,16-hexol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047655	10(20)-Grayanotoxene-3,5,6,7,14,16-hexol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047656	11,15,16,17-Tetrahydroxy-19-kauranoic acid 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047657	11,15,19-Trihydroxy-9-oxoprosta-5,13-dienoic acid 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047658	13,16-Epoxy-7,12,14,15-tetrahydroxy-3-cleroden-6-one 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047659	14,18:10,19-Diepoxy-15,20-dihydroxy-2-phyten-1,20-olide 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047660	2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047661	2,3-Epoxy-5,6,7,10,16-grayanotoxanepentol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047662	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2,3-Dihydroxy-2-methylbutanoyl) 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047663	3,5,6,10,14,16-Grayanotoxanehexol, 3-Ketone 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047664	4(20),11-Taxadiene-1,2,5,9,10,13-hexol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047665	4,6,8,10-Tetrahydroxy-9-daucanone, 10-Angeloyl 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047666	5,15-Dihydroperoxy-6,8,11,13-eicosatetraenoic acid 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047667	6,7,16,17-Tetrahydroxy-19-kauranoic acid 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047668	6,9,15-Trihydroxy-1(10),11(13)-germacradien-12,8-olide, 11?,13-Dihydro, 6-(2-methylbutanoyl) 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047669	6-Oxoprostaglandin E1 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047670	8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047671	9,12,13,16,17-Pentahydroxy-11-kauranone 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047672	9,13:15,16-Diepoxy-6,15,19-trihydroxy-7-labdanone 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047673	Cinncassiol D1; 4?-Hydroxy 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047674	Cinncassiol D3 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047675	Grayanol A 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047676	Kalmanol; 3-Ketone 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047677	Nardostachin 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047678	Picronolide 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047679	Portulal; 5?-Hydroxy, 19-carboxylic acid 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047680	Prostaglandin G2 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047681	Thromboxane B2, 11-Ketone 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047682	Vignaticol 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047683	6-Keto-prostaglandin E1 	C20H32O6	368.219888	NA	MeJP	NA	NA
+MJ047684	Prostaglandin G2 	C20H32O6	368.219888	NA	MeJP	NA	NA
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	HMDB	NA	NA
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	HMDB	NA	NA
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	HMDB	NA	NA
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	Inhouse_PFEM	NA	NA
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	Inhouse_PFEM	NA	NA
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	Inhouse_PFEM	NA	NA
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.21989	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.2199	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.2199	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.2199	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.2199	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.2199	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.2199	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.2199	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.2199	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.2199	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR162	6-keto-Prostaglandin-E1(6-keto-PGE1)	C20H32O6	368.2199	Wishlist	Inhousejuil11	NA	NA
+EUR182	ProstaglandinG2(PGG2)	C20H32O6	368.2199	Wishlist	Inhousejuil11	NA	NA
+EUR186	11-dehydro-thromboxaneB2	C20H32O6	368.2199	Wishlist	Inhousejuil11	NA	NA
+C05956	Prostaglandin G2	C20H32O6	368.2199	NA	KEGG	NA	NA
+C05962	6-Keto-prostaglandin E1	C20H32O6	368.2199	NA	KEGG	NA	NA
+C05964	11-Dehydro-thromboxane B2	C20H32O6	368.2199	NA	KEGG	NA	NA
+C12202	Platenolide A	C20H32O6	368.2199	NA	KEGG	NA	NA
+C17653	Cinncassiol D2	C20H32O6	368.2199	NA	KEGG	NA	NA
+C17655	Cinncassiol D3	C20H32O6	368.2199	NA	KEGG	NA	NA
+C07506	Propantheline	C23H30NO3	368.2226	NA	KEGG	NA	NA
+C07507	Transferred to D00540	C23H30NO3	368.2226	NA	KEGG	NA	NA
+MJ047685	Annonidine A 	C26H28N2	368.225248	NA	MeJP	NA	NA
+MJ047686	Annonidine B 	C26H28N2	368.225248	NA	MeJP	NA	NA
+MJ047687	Annonidine C 	C26H28N2	368.225248	NA	MeJP	NA	NA
+MJ047688	Annonidine D 	C26H28N2	368.225248	NA	MeJP	NA	NA
+MJ047689	Cinnarizine 	C26H28N2	368.225248	NA	MeJP	NA	NA
+MJ047690	Isomonodoroindole 	C26H28N2	368.225248	NA	MeJP	NA	NA
+MJ047691	Monodoroindole 	C26H28N2	368.225248	NA	MeJP	NA	NA
+C07706	Perindopril	C19H32N2O5	368.2311	NA	KEGG	NA	NA
+MJ047692	3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-4-imidazolidineheptanoic acid 	C19H32N2O5	368.231122	NA	MeJP	NA	NA
+MJ047693	Perindoprilat; 5'-Mono-Et ester 	C19H32N2O5	368.231122	NA	MeJP	NA	NA
+MJ047694	1(10),4-Germacradien-6-ol, 4-Hydroxycinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047695	1,4-Epoxy-6-eudesmanol, 6-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047696	1-(2-Hydroxy-6-methylphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadiene-1,5-dione 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047697	2-(8-Cyclohexyloctyl)-3-hydroxy-1,4-naphthoquinone 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047698	3-Eudesmen-6-ol, 4-Hydroxycinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047699	3-Eudesmene-1,6-diol, 6-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047700	3-Eudesmene-1,6-diol, 1-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047701	3-Eudesmene-1,6-diol, 6-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047702	3-Eudesmene-1,9-diol, 9-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047703	3-Hydroxy-1,9,11-eremophilatrien-8-one, 3-(6-Methyl-2,4-octadienoyl) 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047704	4(15)-Eudesmen-6-ol, 4-Hydroxycinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047705	4(15)-Eudesmene-1,6-diol, 6-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047706	4-Muurolene-7,15-diol, 15-O-(3-Phenyl-2E-propenoyl) 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047707	4-Muurolene-7,15-diol, 15-O-(3-Phenyl-2Z-propenoyl) 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047708	8-Daucene-4,6-diol, 6-Cinnamoyl (E-) 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047709	8-Daucene-5,10-diol, 10-Cinnamoyl(E-) 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047710	9-Eremophilene-1,6-diol, 6-Cinnamoyl 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047711	Antheliolide A 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047712	Kneglomerantanone B 	C24H32O3	368.235144	NA	MeJP	NA	NA
+MJ047713	1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine 	C23H32N2O2	368.246378	NA	MeJP	NA	NA
+MJ047714	Holadienine; N-De-Me, N-(N-methylcarbamoyl) 	C23H32N2O2	368.246378	NA	MeJP	NA	NA
+MJ047715	Limaspermine; 18-Deoxy, O12-Me 	C23H32N2O2	368.246378	NA	MeJP	NA	NA
+HMDB03180	Cortol	C21H36O5	368.25626	http://www.hmdb.ca/metabolites/HMDB03180	HMDB	NA	NA
+HMDB03180	Cortol	C21H36O5	368.25626	HMDB03180	PFEM_hmdb_metabocards_official	NA	NA
+MJ047716	1(10)-Spirovetiven-11-ol; ?-D-Fucopyranoside 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047717	10-Aromadendranol, O-?-D-Fucopyranoside 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047718	11,15-Dihydroxy-15-methyl-9-oxo-13-prostenoic acid 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047719	11,16-Dihydroxy-16-methyl-9-oxo-13-prostenoic acid 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047720	11,16-Dihydroxy-9-oxo-13-prostenoic acid, Me ester 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047721	11-Eudesmen-4-ol, 4-O-?-D-Fucopyranoside 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047722	2,10-Bisaboladien-7-ol, O-(6-Deoxy-?-D-altropyranoside) 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047723	2,10-Bisaboladien-7-ol, 7-O-?-D-Fucopyranoside 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047724	2-(7-Hexadecenyl)-3-methyl-2-butenedioic acid; 1''-Hydroxy 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047725	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 3-Hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanone 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047726	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(10-methylpentadecanoyl)-2(5H)-furanone 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047727	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(11-methylpentadecanoyl)-2(5H)-furanone 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047728	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(7-methylpentadecanoyl)-2(5H)-furanone 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047729	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(8-methylpentadecanoyl)-2(5H)-furanone 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047730	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(9-methylpentadecanoyl)-2(5H)-furanone 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047731	4-Cubebanol, O-?-D-Fucopyranoside 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047732	4-Eudesmen-11-ol, O-?-D-Fucopyranoside 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047733	9,11,15-Trihydroxy-11-methylprosta-5,13-dienoic acid 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047734	9,11,15-Trihydroxy-12-methylprosta-5,13-dienoic acid 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047735	Betaenone B 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047736	Carboprost 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047737	Cortol 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047738	Isomuronic acid, 14'?-Alcohol 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047739	Murolic acid 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047740	Pregnane-3,11,17,20,21-pentol 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047741	Pregnane-3,12,14,17,20-pentol 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047742	Pretomexanthol 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MJ047743	Cortol 	C21H36O5	368.256274	NA	MeJP	NA	NA
+MetaCyc03230	cortol []	C21H36O5	368.256274	516-38-1	metacyc	NA	NA
+HMDB03180	Cortol	C21H36O5	368.256287	NA	HMDB2010	NA	NA
+HMDB05821	Beta-Cortol	C21H36O5	368.256287	NA	HMDB2010	NA	NA
+C05482	Cortol	C21H36O5	368.2563	NA	KEGG	NA	NA
+C06872	Carboprost	C21H36O5	368.2563	NA	KEGG	NA	NA
+C06873	Transferred to D00254	C21H36O5	368.2563	NA	KEGG	NA	NA
+MJ047744	Proterguride 	C22H32N4O	368.257611	NA	MeJP	NA	NA
+MJ047745	1,13-Tridecanediol; Di-Ph ether 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047746	12'-Apo-?-carotene-3,12'-diol 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047747	3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047748	5-(4,7,10,13,16-Nonadecapentaenyl)-1,3-benzenediol, 4',5'-Dihydro 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047749	Abridin 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047750	Cerorubenic acid III 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047751	Cerorubenol I; 20-Carboxylic acid 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047752	Cerorubenol I; ?11,23-Isomer, 20-carboxylic acid 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047753	Coscinafuran 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047754	Variecolin 	C25H36O2	368.27153	NA	MeJP	NA	NA
+MJ047755	N-Phenethyl-N'-2-trachyopsanylurea 	C24H36N2O	368.282763	NA	MeJP	NA	NA
+MJ047756	6-(2,4-Diethyl-1,5-octadienyl)-4,6-diethyl-1,2-dioxane-3-acetic acid, 5',6'-Dihydro 	C22H40O4	368.292659	NA	MeJP	NA	NA
+MJ047757	Surfomer 	C22H40O4	368.292659	NA	MeJP	NA	NA
+MJ047758	24-Norcholesta-4,22-dien-3-one 	C26H40O	368.307915	NA	MeJP	NA	NA
+MJ047759	24-Norcholesta-5,7,22-trien-3-ol 	C26H40O	368.307915	NA	MeJP	NA	NA
+MJ047760	2-Hydroxy-14-tricosenoic acid 	C23H44O3	368.329045	NA	MeJP	NA	NA
+MJ047761	22,29,30-Trinor-13(18)-neohopene 	C27H44	368.344301	NA	MeJP	NA	NA
+C08320	Tetracosanoic acid	C24H48O2	368.3654	NA	KEGG	NA	NA
+HMDB02003	Tetracosanoic acid	C24H48O2	368.365417	NA	HMDB2010	NA	NA
+HMDB02003	Tetracosanoic acid	C24H48O2	368.36542	http://www.hmdb.ca/metabolites/HMDB02003	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02003	Tetracosanoic acid	C24H48O2	368.36542	http://www.hmdb.ca/metabolites/HMDB02003	HMDB	NA	NA
+HMDB02003	Tetracosanoic acid	C24H48O2	368.36542	http://www.hmdb.ca/metabolites/HMDB02003	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02003	Tetracosanoic acid	C24H48O2	368.36542	HMDB02003	PFEM_hmdb_metabocards_official	NA	NA
+MJ047762	1-Docosanol; Ac 	C24H48O2	368.36543	NA	MeJP	NA	NA
+MJ047763	2,4-Dimethyldocosanoic acid 	C24H48O2	368.36543	NA	MeJP	NA	NA
+MJ047764	20-Tetracosene-1,18-diol 	C24H48O2	368.36543	NA	MeJP	NA	NA
+MJ047765	4,6-Tetracosanedione; 4-Alcohol 	C24H48O2	368.36543	NA	MeJP	NA	NA
+MJ047766	5,7-Tetracosanedione; 5-Alcohol 	C24H48O2	368.36543	NA	MeJP	NA	NA
+MJ047767	Tetracosanoic acid 	C24H48O2	368.36543	NA	MeJP	NA	NA
+MetaCyc03231	tetracosanoate [Lignoceric acid;Tetracosanoic acid;]	C24H48O2	368.365431	NA	metacyc	NA	NA
+MJ047768	1-Pentacosanol 	C25H52O	368.401816	NA	MeJP	NA	NA
+MJ047769	10-Pentacosanol 	C25H52O	368.401816	NA	MeJP	NA	NA
+7754	soymorphin-6	YPFVVN	368.68095	MH2+	Inhouse_peptide	NA	peptide
+7480	ACE inhibitor (fragment of as2-casein)	FALPQY	368.681	MH2+	Inhouse_peptide	NA	peptide
+MJ047770	3,5-Dibromo-2-hydroxybenzoic acid; Anilide 	C13H9Br2NO2	368.900003	NA	MeJP	NA	NA
+MJ047771	5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide 	C13H9Br2NO2	368.900003	NA	MeJP	NA	NA
+MJ047772	3,5-Dibromo-1-hydroxy-4,4-dimethoxy-2,5-cyclohexadiene-1-acetamide 	C10H13Br2NO4	368.921133	NA	MeJP	NA	NA
+MJ047773	Carmetizide 	C10H12ClN3O6S2	368.985604	NA	MeJP	NA	NA
+MJ047774	Eudistomin C 	C14H16BrN3O2S	369.01466	NA	MeJP	NA	NA
+C17167	Eudistomin C	C14H16BrN3O2S	369.0147	NA	KEGG	NA	NA
+MJ047775	Pluracidomycin C2 	C11H15NO9S2	369.018822	NA	MeJP	NA	NA
+MJ047776	7-Chloro-4-hydroxy-3-[3-(3-thienyloxy)phenyl]-2(1H)-quinolinone 	C19H12ClNO3S	369.022641	NA	MeJP	NA	NA
+C10933	Amidosulfuron	C9H15N5O7S2	369.0413	NA	KEGG	NA	NA
+MJ047777	Sulfadiasulfone 	C14H15N3O5S2	369.045311	NA	MeJP	NA	NA
+MJ047778	?-Amino-2'-chloro-5-(phosphonomethyl)[1,1'-biphenyl]-3-propanoic acid 	C16H17ClNO5P	369.053286	NA	MeJP	NA	NA
+HMDB05008	Lansoprazole	C16H14F3N3O2S	369.07587	http://www.hmdb.ca/metabolites/HMDB05008	HMDB	NA	NA
+HMDB05008	Lansoprazole	C16H14F3N3O2S	369.07587	HMDB05008	PFEM_hmdb_metabocards_official	NA	NA
+MJ047779	Lansoprazole 	C16H14F3N3O2S	369.075882	NA	MeJP	NA	NA
+HMDB05008	Lansoprazole	C16H14F3N3O2S	369.075897	NA	HMDB2010	NA	NA
+MJ047780	Tripamide 	C16H20ClN3O3S	369.091389	NA	MeJP	NA	NA
+MJ047781	Axinyssimide B 	C16H26Cl3NO2	369.102912	NA	MeJP	NA	NA
+MJ047782	Etofenamate 	C18H18F3NO4	369.118792	NA	MeJP	NA	NA
+C05190	6-Hydroxyprotopine	C20H19NO6	369.1212	NA	KEGG	NA	NA
+C09393	Corpaine	C20H19NO6	369.1212	NA	KEGG	NA	NA
+MJ047783	6-Hydroxyprotopine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047784	Actinodaphnine, N-Methoxycarbonyl 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047785	Adlumine, O6-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047786	Adlumine, O7-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047787	Bitlisine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047788	Cantleyine; 8-(E-4-Hydroxycinnamoyloxy) 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047789	Cantleyine; 8-(Z-4-Hydroxycinnamoyloxy) 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047790	Chelamine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047791	Corlumine, O7-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047792	Corydalisol, 1''-Carboxylic acid 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047793	Corydecumbine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047794	Corysolidine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047795	Duguevanine, N-Formyl 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047796	Egenine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047797	Fumarofine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047798	Hydrastine, O4'-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047799	Hydrastine, O5'-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047800	Hydrastine, O4-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047801	Isorhoeagenine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047802	Ochratoxin A; Dechloro 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047803	Ochrobirine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047804	Polyberbine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047805	Protopine; N-Oxide 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047806	Rhoeadine, 6-Epimer, N-de-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047807	Rhoeadine, N-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047808	Rhoeagenine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047809	Severzinine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047810	Taspine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047811	Taxilamine 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047812	Yenhusomidine, 8-Epimer, O2-de-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047813	Yenhusomidine, O2-De-Me 	C20H19NO6	369.121237	NA	MeJP	NA	NA
+MJ047814	Leptopidine 	C20H20NO6(+)	369.121237	NA	MeJP	NA	NA
+MetaCyc03232	6-hydroxyprotopine []	C20H19N1O6	369.121237	NA	metacyc	NA	NA
+C13179	Fleroxacin	C17H18F3N3O3	369.13	NA	KEGG	NA	NA
+C13180	Transferred to D01717	C17H18F3N3O3	369.13	NA	KEGG	NA	NA
+C13181	Transferred to D01718	C17H18F3N3O3	369.13	NA	KEGG	NA	NA
+MJ047815	4-[3-(4-Hydroxybutyl)-4,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile 	C17H18F3N3O3	369.130026	NA	MeJP	NA	NA
+MJ047816	Fleroxacin 	C17H18F3N3O3	369.130026	NA	MeJP	NA	NA
+PJ000596	GMY 	C16H23N3O5S	369.1359	NA	PeJP	NA	NA
+MJ047817	Chrysobactin 	C16H23N3O7	369.1536	NA	MeJP	NA	NA
+PJ000597	STY 	C16H23N3O7	369.1536	NA	PeJP	NA	NA
+C02134	Allocryptopine	C21H23NO5	369.1576	NA	KEGG	NA	NA
+C06534	Heroin	C21H23NO5	369.1576	NA	KEGG	NA	NA
+C09444	Fumaricine	C21H23NO5	369.1576	NA	KEGG	NA	NA
+C12257	(+/-)-Homochelidonine	C21H23NO5	369.1576	NA	KEGG	NA	NA
+MJ047818	1,2,10-Trimethoxyaporphine, N-De-Me, N-methoxycarbonyl 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047819	1-(2-Methylaminoethyl)-2,3,4-trimethoxy-6,7-methylenedioxyphenanthrene 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047820	2,3,7-Trimethoxy-N-methyl-8,9-methylenedioxypavinane 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047821	4-(5-Phenylpentyl)-1H-indole-2,3-dione; 6,7-Dimethoxy, 5-hydroxy 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047822	8-Oxotetrahydropalmatine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047823	Alkaloid AM3 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047824	Alkaloid CC-20 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047825	Baicaline, N-Me 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047826	Canadaline 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047827	Capitavine; 4'-Hydroxy, 2,3-dihydro 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047828	Cryptopine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047829	Dehydroglaucine; 7-Hydroxy 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047830	Fagarine I 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047831	Fumaricine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047832	Fumaritridine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047833	Heroin 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047834	Leucoxine, Me ether 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047835	Megistophylline I 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047836	Ocoteine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047837	Oxypalmatine; 8-Alcohol 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047838	Papaverine; ?-Methoxy 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047839	Phoebine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047840	Prenylcitpressine; 3-Me ether 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047841	Pyridovericin 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047842	Rubescenamine; N-Me 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047843	Spiduxine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047844	Tenellin 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047845	Thalicthuberine; N-Oxide 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047846	Thalimonine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047847	Zanthosin; N-Me 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047848	?-Homochelidonine 	C21H23NO5	369.157622	NA	MeJP	NA	NA
+MJ047849	Fumaritine; Natural-form, N-Me 	C21H24NO5(+)	369.157622	NA	MeJP	NA	NA
+MetaCyc03233	allocryptopine []	C21H23N1O5	369.157623	24240-04-8	metacyc	NA	NA
+PJ000598	VDH 	C15H23N5O6	369.1649	NA	PeJP	NA	NA
+MJ047850	Mepiperphenidol(1+); Bromide 	C19H32BrNO	369.166727	NA	MeJP	NA	NA
+MJ047851	Epanolol 	C20H23N3O4	369.168856	NA	MeJP	NA	NA
+C11773	Epanolol	C20H23N3O4	369.1689	NA	KEGG	NA	NA
+PJ000599	GFF 	C20H23N3O4	369.1689	NA	PeJP	NA	NA
+CJneg0567	Testosterone sulfate [(M-H)]- (13C)	C1813CH27O5S	369.169625	C18rt(min)=8.65 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0567	Testosterone sulfate [(M-H)]- (13C)	C1813CH27O5S	369.169625	C18rt(min)=8.65 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ047852	Amisulpride 	C17H27N3O4S	369.172227	NA	MeJP	NA	NA
+MJ047853	Axillarine 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047854	Dihydroxytriangularine 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047855	Jacoline 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047856	Platyphylline; 2?,18-Dihydroxy 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047857	Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047858	Sceleratine 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047859	Trichodesmine; 17-Hydroxy 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047860	Trichodesmine; 19-Hydroxy 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047861	Trichodesmine; N-Oxide 	C18H27NO7	369.178752	NA	MeJP	NA	NA
+MJ047862	Trimetrexate 	C19H23N5O3	369.180089	NA	MeJP	NA	NA
+C11154	Trimetrexate	C19H23N5O3	369.1801	NA	KEGG	NA	NA
+8001	synthetic peptide	LHT	369.189	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ047863	Antibiotic UCK 14A1 	C17H27N3O6	369.189985	NA	MeJP	NA	NA
+MJ047864	Belactosin A 	C17H27N3O6	369.189985	NA	MeJP	NA	NA
+C08714	Thalicsessine	C22H27NO4	369.194	NA	KEGG	NA	NA
+C15530	Corydaline	C22H27NO4	369.194	NA	KEGG	NA	NA
+MJ047865	Corydaline 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047866	Epocarbazolin A 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047867	Erythrococcamide C 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047868	Fissumine 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047869	Hetisine; 2-Ketone, O13-Ac 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047870	Madindoline A 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047871	N-Methylsecoglaucine 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047872	Neocarazostatin A 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047873	Spirasine III 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047874	Spireine 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047875	Thalicsessine 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047876	Uvariopsamine 	C22H27NO4	369.194008	NA	MeJP	NA	NA
+MJ047877	Argemonine, N-Me 	C22H28NO4(+)	369.194008	NA	MeJP	NA	NA
+MJ047878	Catalpifoline, N,N-Di-Me 	C22H28NO4(+)	369.194008	NA	MeJP	NA	NA
+MetaCyc03234	corydaline []	C22H27N1O4	369.194008	NA	metacyc	NA	NA
+MJ047879	5-Fluoro-3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indole 	C20H24FN5O	369.196488	NA	MeJP	NA	NA
+PJ000600	TLH 	C16H27N5O5	369.2012	NA	PeJP	NA	NA
+MJ047880	4-[2-[1-(6-Methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoic acid; Et ester 	C21H27N3O3	369.205241	NA	MeJP	NA	NA
+MJ047881	Anidoxime 	C21H27N3O3	369.205241	NA	MeJP	NA	NA
+MJ047882	Bulaquine 	C21H27N3O3	369.205241	NA	MeJP	NA	NA
+MJ047883	Celafurine 	C21H27N3O3	369.205241	NA	MeJP	NA	NA
+MJ047884	Nicainoprol 	C21H27N3O3	369.205241	NA	MeJP	NA	NA
+2658	synthetic fr,of human beta-CN (143-149) ACE inhibitor	PQTLALP	369.207	MH2+	Inhouse_peptide	NA	peptide
+MJ047885	Suricainide 	C18H31N3O3S	369.208612	NA	MeJP	NA	NA
+MJ047886	9-[4-(Hexyloxy)phenyl]-10-methylacridinium(1+) 	C26H28NO(+)	369.209264	NA	MeJP	NA	NA
+MJ047887	Pramanicin 	C19H31NO6	369.215137	NA	MeJP	NA	NA
+MJ047888	Cilostazol 	C20H27N5O2	369.216475	NA	MeJP	NA	NA
+MJ047889	Calycine 	C23H31NO3	369.230393	NA	MeJP	NA	NA
+MJ047890	Diprafenone 	C23H31NO3	369.230393	NA	MeJP	NA	NA
+MJ047891	Norgestimate 	C23H31NO3	369.230393	NA	MeJP	NA	NA
+C14926	3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one	C23H31NO3	369.2304	NA	KEGG	NA	NA
+MJ047892	Piboserod 	C22H31N3O2	369.241627	NA	MeJP	NA	NA
+MJ047893	Adatanserin 	C21H31N5O	369.25286	NA	MeJP	NA	NA
+MJ047894	Petrosaspongiolide L 	C24H35NO2	369.266779	NA	MeJP	NA	NA
+MJ047895	Actisomide 	C23H35N3O	369.278012	NA	MeJP	NA	NA
+MJ047896	4-Amino-1,13-diguanidino-5-tridecanone; N4-Ac 	C17H35N7O2	369.285223	NA	MeJP	NA	NA
+HMDB02014	cis-5-Tetradecenoylcarnitine	C21H39NO4	369.2879	http://www.hmdb.ca/metabolites/HMDB02014	HMDB	NA	NA
+HMDB02014	cis-5-Tetradecenoylcarnitine	C21H39NO4	369.2879	HMDB02014	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02014	cis-5-Tetradecenoylcarnitine	C21H39NO4	369.2879	NA  ;SYN:4-(carbamimidamido)butanoate; 4-(carbamimidamido)butanoic acid; 4-Guanidinobutanoate; 4-Guanidinobutyrate; 4-Guanidinobutyric acid; 4-guanidinobutanoic acid; gamma-Guanidinobutyrate; gamma-Guanidinobutyric acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB02014	cis-5-Tetradecenoylcarnitine	C21H39NO4	369.287903	NA	HMDB2010	NA	NA
+HMDB13329	trans-2-Tetradecenoylcarnitine	C21H39NO4	369.287903	NA	HMDB2010	NA	NA
+MJ047897	2-(Aminomethyl)-2-propenoic acid; N-(2-Hydroxyhexadecanoyl), Me ester 	C21H39NO4	369.287908	NA	MeJP	NA	NA
+MJ047898	2-Pentadecyl-4(1H)-quinolinone; N-Me 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047899	Cyclobuxomicreine K 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047900	Cyclobuxophylline O; 3-Epimer, N-Me 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047901	Cyclobuxophylline O; N-Me 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047902	Cyclobuxosuffrine K 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047903	Cyclobuxoviramine 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047904	Cyclobuxoviridine L; N-De-Me 	C25H39NO	369.303164	NA	MeJP	NA	NA
+MJ047905	Aplidiasphingosine 	C22H43NO3	369.324294	NA	MeJP	NA	NA
+MJ047906	Penazetidine A 	C23H47NO2	369.360679	NA	MeJP	NA	NA
+MJ047907	Lycetamine 	C22H47N3O	369.371913	NA	MeJP	NA	NA
+MJ047908	1,1,1,3-Tetrabromo-2-propanone 	C3H2Br4O	369.683915	NA	MeJP	NA	NA
+MJ047909	1,1,3,3-Tetrabromo-2-propanone 	C3H2Br4O	369.683915	NA	MeJP	NA	NA
+C14185	Heptachlor	C10H5Cl7	369.8211	NA	KEGG	NA	NA
+MJ047910	2,2'-Thiobis[4,6-dichlorophenol]; S-Oxide 	C12H6Cl4O3S	369.879175	NA	MeJP	NA	NA
+MJ047911	Triclofylline 	C11H13Cl3N4O4	370.000238	NA	MeJP	NA	NA
+MJ047912	Didemnimide A; 6-Bromo, N17-Me 	C16H11BrN4O2	370.006538	NA	MeJP	NA	NA
+C00447	Sedoheptulose 1,7-bisphosphate	C7H16O13P2	370.0066	NA	KEGG	NA	NA
+C11472	D-glycero-D-manno-Heptose 1,7-bisphosphate	C7H16O13P2	370.0066	NA	KEGG	NA	NA
+MJ047913	Sedoheptulose 1,7-bisphosphate 	C7H16O13P2	370.006613	NA	MeJP	NA	NA
+MetaCyc03235	D-sedoheptulose-1,7-bisphosphate [sedoheptulose 1,7-bisphosphate;D-sedoheptulose-1,7-diphosphate;D-sedoheptulose-1,7-P2;]	C7H16O13P2	370.006614	NA	metacyc	NA	NA
+MJ047914	Azosemide 	C12H11ClN6O2S2	370.007342	NA	MeJP	NA	NA
+MJ047915	5-Iodo-7-(4-morpholinylmethyl)-8-quinolinol 	C14H15IN2O2	370.017821	NA	MeJP	NA	NA
+MJ047916	Benzo[1,2-b:3,4-b']bis[1,4]benzodioxin-1,3,6,9,11-pentol 	C18H10O9	370.032481	NA	MeJP	NA	NA
+MJ047917	Hydnuferrugin 	C18H10O9	370.032481	NA	MeJP	NA	NA
+MJ047918	Variegatorubin 	C18H10O9	370.032481	NA	MeJP	NA	NA
+MJ047919	1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 1-O-Caffeoyl(E) 	C15H14O11	370.053611	NA	MeJP	NA	NA
+FL3FAENI0001	Torosaflavone D;(E)-3-[5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-2-propenoic acid	C19H14O8	370.06886	144049-79-6	knapsack	NA	NA
+FL5FECNS0044	Meliternatin;7,9-Dimethoxy-6-[3,4-(methylenedioxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one;6-(1,3-Benzodioxol-5-yl)-7,9-dimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	C19H14O8	370.06886	479-78-7	knapsack	NA	NA
+FL5FPTNS0008	6-Methoxypulcherrimin;7-Hydroxy-8,9-dimethoxy-1,3-dioxolo[7,8][2]benzopyrano[4,3-b][1]benzopyran-6(4H)-one	C19H14O8	370.06886	89945-87-9	knapsack	NA	NA
+FLIFWYNS0001	Stemonone	C19H14O8	370.06886	41059-87-4	knapsack	NA	NA
+MJ047920	3,3',4',5,6,7-Hexahydroxyflavone; 3',4':6,7-Bis(methylene), 3,5-di-Me ether 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047921	6,8-Dihydroxyflavone; Bis(carboxymethyl) ether 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047922	Araliorhamnone C; 8-Me ether, 7-methoxy 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047923	Austrocorticinic acid; 1'-Oxo 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047924	Dermolactone, 5-Hydroxy 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047925	Pulcherrimin; 6-Methoxy 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047926	Stemonal; 6-Ketone 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047927	Torosaflavone D 	C19H14O8	370.068867	NA	MeJP	NA	NA
+MJ047928	Rebamipide 	C19H15ClN2O4	370.072034	NA	MeJP	NA	NA
+C02273	Digalacturonate	C12H18O13	370.0747	NA	KEGG	NA	NA
+C04354	1,2-beta-D-Glucuronosyl-D-glucuronate	C12H18O13	370.0747	NA	KEGG	NA	NA
+MJ047929	4-O-?-D-Mannopyranuronosyl-D-mannuronic acid 	C12H18O13	370.07474	NA	MeJP	NA	NA
+MJ047930	4-O-?-D-Galactopyranuronosyl-D-galacturonic acid 	C12H18O13	370.07474	NA	MeJP	NA	NA
+MetaCyc03236	1,2-&beta;-D-glucuronosyl-D-glucuronate []	C12H18O13	370.074741	NA	metacyc	NA	NA
+MJ047931	1,2-Phenylenebis(iminocarbonothioyl)biscarbamic acid; Di-Et ester 	C14H18N4O4S2	370.076946	NA	MeJP	NA	NA
+MJ047932	Laurefucin; Ac 	C17H23BrO4	370.077971	NA	MeJP	NA	NA
+MJ047933	Kinamycin F 	C18H14N2O7	370.0801	NA	MeJP	NA	NA
+C13416	Sodium equilin sulfate	C18H19O5S	370.0851	NA	KEGG	NA	NA
+C13417	Transferred to D02451	C18H19O5S	370.0851	NA	KEGG	NA	NA
+C13418	Transferred to D01935	C18H19O5S	370.0851	NA	KEGG	NA	NA
+C13419	Transferred to D02464	C18H19O5S	370.0851	NA	KEGG	NA	NA
+C13420	Transferred to D01936	C18H19O5S	370.0851	NA	KEGG	NA	NA
+C13421	Transferred to D01937	C18H19O5S	370.0851	NA	KEGG	NA	NA
+MJ047934	Pterorhodine 	C13H10N10O4	370.088648	NA	MeJP	NA	NA
+MJ047935	Remoxipride 	C16H23BrN2O3	370.089205	NA	MeJP	NA	NA
+MJ047936	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6-Me ether, 7-O-?-D-glucopyranoside 	C16H18O10	370.089996	NA	MeJP	NA	NA
+MJ047937	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-Me ether, 8-O-?-D-glucopyranoside 	C16H18O10	370.089996	NA	MeJP	NA	NA
+MJ047938	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-glucopyranoside 	C16H18O10	370.089996	NA	MeJP	NA	NA
+MJ047939	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 8-O-?-D-glucopyranoside 	C16H18O10	370.089996	NA	MeJP	NA	NA
+MJ047940	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside 	C16H18O10	370.089996	NA	MeJP	NA	NA
+MJ047941	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 8-O-?-D-Glucopyranoside 	C16H18O10	370.089996	NA	MeJP	NA	NA
+C09266	Fraxin	C16H18O10	370.09	NA	KEGG	NA	NA
+MJ047942	5,12-Dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylic acid 	C22H14N2O4	370.095356	NA	MeJP	NA	NA
+MJ047943	Asterriquinone D; Di-O-de-Me 	C22H14N2O4	370.095356	NA	MeJP	NA	NA
+MJ047944	Valdecoxib; N-(1-Oxopropyl) 	C19H18N2O4S	370.098727	NA	MeJP	NA	NA
+FL1DECNF0001	2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon	C20H18O7	370.10525	77985-80-9	knapsack	NA	NA
+FL3FALNI0004	Oxidihydroartocarpesin	C20H18O7	370.10525	23806-62-4	knapsack	NA	NA
+FL4DACNR0001	7,8-Dihydrooxepinodihydroquercetin	C20H18O7	370.10525	104668-90-8	knapsack	NA	NA
+FL4DALNF0001	Shuterone A	C20H18O7	370.10525	105377-66-0	knapsack	NA	NA
+FL4DALNF0002	Shuterone B	C20H18O7	370.10525	105454-03-3	knapsack	NA	NA
+FL5F2CNI0001	Neouralenol;2-[3,4-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-3,6,7-trihydroxy-4H-1-benzopyran-4-one	C20H18O7	370.10525	139163-16-9	knapsack	NA	NA
+FL5FAANP0003	Glycyrrhiza flavonol A;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C20H18O7	370.10525	197304-01-1	knapsack	NA	NA
+FL5FACNI0001	Gancaonin P;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C20H18O7	370.10525	129145-54-6	knapsack	NA	NA
+FL5FACNI0002	Uralenol;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C20H18O7	370.10525	139163-15-8	knapsack	NA	NA
+FL5FF9NS0013	8-Hydroxygalangin 7-methyl ether 8-butyrate	C20H18O7	370.10525	69306-82-7	knapsack	NA	NA
+FLIAALNF0001	Lupinisoflavone D	C20H18O7	370.10525	93373-46-7	knapsack	NA	NA
+FLIAALNF0003	Lupinisoflavone B	C20H18O7	370.10525	91681-64-0	knapsack	NA	NA
+FLIAALNF0005	Lunatone	C20H18O7	370.10525	104363-13-5	knapsack	NA	NA
+FLIAALNI0014	2,3-Dehydrokievitol	C20H18O7	370.10525	104363-17-9	knapsack	NA	NA
+MJ047945	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(4-Hydroxy-3-hydroxymethyl-2-butenyl) 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047946	2',4',5,7-Tetrahydroxy-8-prenylisoflavone; 4''-Hydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047947	2-(3,4-Dihydroxyphenyl)-2,3,8,11-tetrahydro-3,5-dihydroxy-9-methyl-4H-pyrano[2,3-g][1]benzoxepin-4-one 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047948	3,3',4',5,7-Pentahydroxy-5'-prenylflavone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047949	3,3',4',5,7-Pentahydroxy-6-prenylflavone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047950	3,3',4',6,7-Pentahydroxy-2'-prenylflavone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047951	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 7'-Ketone, 3,4:3',4'-bis(methylene) ether 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047952	3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7S-Hydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047953	3,5,7,8-Tetrahydroxyflavone; 7-Me ether, 8-butanoyl 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047954	4,4'-Oxybis[3-phenyl-2-propenoic acid], 3,3'-Dimethoxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047955	4-Hydroxy-6,7-dimethoxy-6-[3-(3,4-methylenedioxyphenyl)-1-oxopropyl]benzofuran 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047956	?-Apoplicatitoxin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047957	Antibiotic C 112-III 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047958	Aptosimol 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047959	Aranciamycin; 4-(Deglycosyloxy), 1?-alcohol 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047960	Averufanin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047961	Borhavine 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047962	Chasnarolide 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047963	Cladospirone H; 4,4a-Didehydro 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047964	Cleomiscosin B; 3'-Deoxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047965	Feudomycin C; Aglycone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047966	Galacturonic acid; ?-D-Pyranose-form, 1,2:3,4-Di-O-benzylidene 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047967	Glycyrrhizaflavonol A 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047968	Hormothamnione; 6-Demethoxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047969	Isoderrone; 3',4'-Dihydro, 3S,4R-dihydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047970	Justisolin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047971	Lunatone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047972	Lupilutin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047973	Lupinisoflavone B 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047974	Lupinisoflavone C; 2'-Hydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047975	Lupinol C 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047976	Methylophiopogonone A; 2,3-Dihydro, 1''-oxo, 7-Me ether 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047977	Norsolorinic acid 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047978	Palmarumycin C15; 4,5-Dihydro 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047979	Parabenzlactone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047980	Paulownin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047981	Propacin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047982	Rhodocomatulin; 5,7-Di-Me ether 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047983	Samin; O-(3,4-Methylenedioxyphenyl) 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047984	Semilicoisoflavone B; 3',4'-Dihydro, 3'-hydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047985	Shuterol; 2'-Hydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047986	Sibiricin A; Et ester 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047987	Styraxin 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047988	Terphenyllin; 3,3''-Dihydroxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047989	?-Citromycinone 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047990	?-Rhodomycinone; 10-Deoxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+MJ047991	?-Rhodomycinone; 10-Epimer, 7-Deoxy 	C20H18O7	370.105252	NA	MeJP	NA	NA
+C10887	Styraxin	C20H18O7	370.1053	NA	KEGG	NA	NA
+MJ047992	Rhopaladin A; Debromo 	C21H14N4O3	370.10659	NA	MeJP	NA	NA
+MJ047993	Pivoxazepam 	C20H19ClN2O3	370.10842	NA	MeJP	NA	NA
+MJ047994	Acaciabiuronic acid; 4'-Me 	C13H22O12	370.111126	NA	MeJP	NA	NA
+MJ047995	Antibiotic DOB 41 	C19H18N2O6	370.116486	NA	MeJP	NA	NA
+MJ047996	14-Chloro-3,5,10-trihydroxy-4(15),11(13)-guaiadien-12,8-olide, 3-Propanoyl 	C18H23ClO6	370.118316	NA	MeJP	NA	NA
+MJ047997	1,2,3,4-Tetrahydro-5,7-dihydroxy-2-naphthalenecarboxylic acid; 5-O-?-D-Glucopyranoside 	C17H22O9	370.126382	NA	MeJP	NA	NA
+MJ047998	3-(3,5-Dihydroxyphenyl)-2-propenoic acid; 3-Me ether, 5-O-?-D-glucopyranoside, Me ester 	C17H22O9	370.126382	NA	MeJP	NA	NA
+MJ047999	4,5-Dihydro-5-(2,3-dihydroxyphenyl)-4-methyl-2(3H)-furanone, 2'-O-?-D-Glucopyranoside 	C17H22O9	370.126382	NA	MeJP	NA	NA
+MJ048000	5-(2-Propenyl)-1,2,3,4-benzenetetrol; 1,2-Methylene, 4-Me ether, 3-O-?-D-glucopyranoside 	C17H22O9	370.126382	NA	MeJP	NA	NA
+MJ048001	Arbutin; 6-O-(4-Hydroxy-2-methylenebutanoyl) 	C17H22O9	370.126382	NA	MeJP	NA	NA
+MJ048002	Sinapaldehyde, O-?-D-Glucopyranoside 	C17H22O9	370.126382	NA	MeJP	NA	NA
+MetaCyc03237	sinapaldehyde glucoside [sinapyl aldehyde-4-O-&beta;-D-glucopyranoside;]	C17H22O9	370.126382	NA	metacyc	NA	NA
+MJ048003	2-[[3-(2-Quinolinylmethoxy)phenyl]amino]benzoic acid 	C23H18N2O3	370.131742	NA	MeJP	NA	NA
+C09831	5'-Prenylhomoeriodictyol	C21H22O6	370.1416	NA	KEGG	NA	NA
+C10293	Alkannin beta,beta-dimethylacrylate	C21H22O6	370.1416	NA	KEGG	NA	NA
+C10530	Sophoraisoflavanone A	C21H22O6	370.1416	NA	KEGG	NA	NA
+C16957	Fargesin	C21H22O6	370.1416	NA	KEGG	NA	NA
+C17415	beta,beta-Dimethylacrylshikonin	C21H22O6	370.1416	NA	KEGG	NA	NA
+FL1C1ANI0006	Xanthoangelol E	C21H22O6	370.14163	132998-84-6	knapsack	NA	NA
+FL1CBANI0002	Xanthohumol D;3'-(2-Hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxy-6'-methoxychalcone	C21H22O6	370.14163	274675-25-1	knapsack	NA	NA
+FL1CBANP0003	Dehydrocycloxanthohumol hydrate;Xanthohumol B;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone	C21H22O6	370.14163	189308-10-9	knapsack	NA	NA
+FL1CE9NI0002	2',4'-Dihydroxy-6'-methoxy-3'-(2-methylbutyryloxy)chalcone	C21H22O6	370.14163	116988-11-5	knapsack	NA	NA
+FL1CE9NI0003	2',4'-Dihydroxy-3'-isovaleryloxy-6'-methoxychalcone	C21H22O6	370.14163	116988-12-6	knapsack	NA	NA
+FL2FABNI0005	5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone	C21H22O6	370.14163	145631-55-6	knapsack	NA	NA
+FL2FADNI0001	5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II	C21H22O6	370.14163	671781-82-1	knapsack	NA	NA
+FL2FADNI0004	Exiguaflavanone K	C21H22O6	370.14163	156281-21-9	knapsack	NA	NA
+FL2FADNI0006	(2S)-5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone	C21H22O6	370.14163	192572-95-5	knapsack	NA	NA
+FL2FAENI0002	4'-Methylsigmoidin B	C21H22O6	370.14163	114340-00-0	knapsack	NA	NA
+FL2FALNI0011	Kenusanone I	C21H22O6	370.14163	151782-74-0	knapsack	NA	NA
+FL2FCCNI0002	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone	C21H22O6	370.14163	72944-03-7	knapsack	NA	NA
+FL2FF8NI0001	Dioflorin;(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone	C21H22O6	370.14163	204127-54-8	knapsack	NA	NA
+FL4DBANI0001	5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone	C21H22O6	370.14163	204935-85-3	knapsack	NA	NA
+FL4DF9NI0001	Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone	C21H22O6	370.14163	197379-44-5	knapsack	NA	NA
+FL6DBANP0001	4beta-Hydroxyobovatachromene	C21H22O6	370.14163	76265-10-6	knapsack	NA	NA
+FL6DE9NF0001	3,4,5,6-Tetramethoxyfurano[2,3-h]flavan	C21H22O6	370.14163	77970-11-7	knapsack	NA	NA
+FL6DF9NF0001	Diplotropin;(5R,6S,7R)-rel-(+)-6,7-Dihydro-4,5,6,9-tetramethoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran	C21H22O6	370.14163	883238-76-4	knapsack	NA	NA
+FLIBAENI0001	3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone	C21H22O6	370.14163	123828-67-1	knapsack	NA	NA
+FLIBALNI0002	Sophoraisoflavanone A	C21H22O6	370.14163	69573-59-7	knapsack	NA	NA
+FLIBALNI0007	Diphysolidone;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavanone	C21H22O6	370.14163	88899-19-8	knapsack	NA	NA
+FLIBALNI0008	4'-O-Methylkievitone;5,7,2'-Trihydroxy-4'-methoxy-8-prenylisoflavanone	C21H22O6	370.14163	-	knapsack	NA	NA
+FLIDHXNI0006	Sphenostylin B;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-prenylpterocarpan	C21H22O6	370.14163	115610-55-4	knapsack	NA	NA
+MJ048004	1,3,5,6-Tetrahydroxy-2-prenylxanthone; 3,5,6-Tri-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048005	1,6-Dihydro-4,7'-epoxy-1-methoxy-3',4'-methylenedioxy-6-oxo-3,8'-lignan, 5-Methoxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048006	12,20:15,16-Diepoxy-3,8(17),13(16),14-clerodatetraen-19,20-olid-18-oic acid, Me ester 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048007	2',3',4',7-Tetrahydroxy-5'-prenylisoflavanone, 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048008	2',4',5,7-Tetrahydroxy-3'-prenylisoflavone; 2,3-Dihydro, 2'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048009	2',4',5,7-Tetrahydroxy-6-prenylisoflavanone; 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048010	2',4',5,7-Tetrahydroxy-6-prenylisoflavanone; 7-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048011	2',4',5,7-Tetrahydroxy-8-prenylflavanone, 2'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048012	2',4',5,7-Tetrahydroxy-8-prenylflavanone, 7-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048013	2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048014	2',4,4',6'-Tetrahydroxy-3'-prenylchalcone; ?3''-Isomer, 2''-hydroxy, 6'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048015	2',4,4'-Trihydroxy-3'-prenylchalcone; ?3''-Isomer, 2''-hydroperoxy, 4'-Me ether, 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048016	2',5,7,8-Tetrahydroxy-6-prenylflavanone, 8-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048017	2,3-Dihydro-5,7-dimethoxy-3-methyl-2-(3,4-methylenedioxyphenyl)-6-(2-propenyloxy)benzofuran 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048018	3',4',5,7-Tetrahydroxy-2'-prenylisoflavanone; 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048019	3',4',5,7-Tetrahydroxy-5'-prenylflavanone, 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048020	3',4',5,7-Tetrahydroxy-5'-prenylflavanone, 3'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048021	3',4',5,7-Tetrahydroxy-5'-prenylisoflavanone, 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048022	3',4',5,7-Tetrahydroxy-8-prenylflavanone, 3-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048023	3',4',5,7-Tetrahydroxy-8-prenylflavanone, 7-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048024	3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, 3,3',4'-Tri-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048025	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048026	3,3',4,4'-Tetrahydroxylignan, 7,7'-Dioxo, 3,4-methylene, 3',4'-di-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048027	3,4-Dihydro-2-(4-hydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,4,5-triol; 5-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048028	3,4-Dihydro-3,4,5,6-tetramethoxy-2-phenyl-2H-furo[2,3-h]-1-benzopyran 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048029	3,5,7,8-Tetrahydroxy-6-prenylflavanone, 8-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048030	3-(3,4-Dimethoxybenzyl)-4,5-dihydro-4-(3,4-methylenedioxybenzyl)-2(3H)-furanone 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048031	4',5,7-Trihydroxy-8-prenylflavanone, ?3''-Isomer, 2''-hydroxy, 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048032	4-Hydroxy-6,7-dimethoxy-2,3-dimethyl-4-piperonyl-1-tetralone 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048033	4-Hydroxyobovatochromene 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048034	5'-(1,1-Dimethyl-2-propenyl)-2',3',4',7-tetrahydroxyisoflavanone, 4'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048035	5'-(1,1-Dimethyl-2-propenyl)-2',4',5,7-tetrahydroxyisoflavanone; 2'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048036	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methyl-2-butenoyl) 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048037	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Angeloyl 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048038	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, Angeloyl 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048039	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methyl-2-butenoyl) 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048040	6,7-Dihydro-4,5,6,9-tetramethoxy-7-phenyl-5H-furo[3,2-g]-1-benzopyran 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048041	6-(1,1-Dimethyl-2-propenyl)-3',4',5,7-tetrahydroxyflavanone, 3'-Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048042	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?5'-Isomer, 7'-hydroperoxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048043	8-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one; ?7'-Isomer, 6'S-hydroperoxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048044	Bergamottin; 2',3';6',7'-Bisepoxide 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048045	Bursehernin 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048046	Cabenegrin A II 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048047	Cubebin; 9-Epimer, Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048048	Cubebin; Me ether 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048049	Curcumin; 1,2-Dihydro 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048050	Dehydroisopenicillide 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048051	Eryvarin A 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048052	Eusiderin I 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048053	Fargesone C 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048054	Fragransol D 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048055	Furoguaiacidin 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048056	Gorgiacerodiol; 11-Deoxy, 12-ketone 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048057	Hydroxyaristotetralone 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048058	Hydroxycristacarpone 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048059	Hydroxymethoxyotobain 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048060	Ocobullenone 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048061	Penicillide, 1'-Deoxy, 1',2'-didehydro, 3'-hydroxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048062	Podotoxin 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048063	Pseudopterolide 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048064	Sphenostylin B 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048065	Spinescin 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048066	Wortmannin; 11-Deacetoxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048067	Xanthohumol C; 3,4-Dihydro, 3?-hydroxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MJ048068	Xanthohumol C; 3,4-Dihydro, 4?-hydroxy 	C21H22O6	370.141638	NA	MeJP	NA	NA
+MetaCyc03238	iso-dehydrocycloxanthohumol hydrate []	C21H22O6	370.141638	NA	metacyc	NA	NA
+MetaCyc03239	xanthohumol D []	C21H22O6	370.141638	NA	metacyc	NA	NA
+MetaCyc03240	xanthohumol B []	C21H22O6	370.141638	NA	metacyc	NA	NA
+MJ048069	Telenzepine 	C19H22N4O2S	370.146346	NA	MeJP	NA	NA
+HMDB03403	Amylose	C14H26O11	370.14752	http://www.hmdb.ca/metabolites/HMDB03403	HMDB	NA	NA
+HMDB04162	Galactan	C14H26O11	370.14752	http://www.hmdb.ca/metabolites/HMDB04162	HMDB	NA	NA
+HMDB03403	Amylose	C14H26O11	370.14752	HMDB03403	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04162	Galactan	C14H26O11	370.14752	HMDB04162	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03403	Amylose	C14H26O11	370.147522	NA	HMDB2010	NA	NA
+HMDB04162	Galactan	C14H26O11	370.147522	NA	HMDB2010	NA	NA
+MJ048070	Thioridazine 	C21H26N2S2	370.15374	NA	MeJP	NA	NA
+MJ048071	Maculalactone L 	C25H22O3	370.156894	NA	MeJP	NA	NA
+PJ000601	SQH 	C14H22N6O6	370.1601	NA	PeJP	NA	NA
+MJ048072	5,6-Dihydro-6-(2,4,6-trihydroxyheptyl)-2H-pyran-2-one, Tri-Ac 	C18H26O8	370.162767	NA	MeJP	NA	NA
+MJ048073	Boronolide 	C18H26O8	370.162767	NA	MeJP	NA	NA
+MJ048074	Cinatrin A 	C18H26O8	370.162767	NA	MeJP	NA	NA
+MJ048075	4-[3-(4-Fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]-2-hydroxypropoxybenzamide 	C21H23FN2O3	370.16927	NA	MeJP	NA	NA
+MJ048076	Gestaclone 	C23H27ClO2	370.169957	NA	MeJP	NA	NA
+C09147	Calanolide A	C22H26O5	370.178	NA	KEGG	NA	NA
+C15313	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one	C22H26O5	370.178	NA	KEGG	NA	NA
+FLIC1LNI0003	Unanisoflavan	C22H26O5	370.17802	61186-60-5	knapsack	NA	NA
+MJ048077	2',4',5,7-Tetrahydroxy-3'-prenylisoflavan, 4',5-Di-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048078	2',4',5,7-Tetrahydroxy-6-prenylisoflavan, 2',5-Di-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048079	2',4',5,7-Tetrahydroxy-6-prenylisoflavan, 5,7-Di-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048080	2,5,7-Trihydroxy-6-methyl-1,4-naphthoquinone; 7-Me ether, 2-O-(3,7-dimethyl-2,6-octadienyl) 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048081	2-Methylteretifolione B; 14,15-Dihydro, 15-hydroxy, 3-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048082	3',4,4',5,5'-Pentahydroxy-2,7'-cyclolignan, 4,5-Methylene ether, 3',4',5'-tri-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048083	3',4,4',5-Tetrahydroxy-2,7'-cyclolignan-7-one, Tetra-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048084	3',5,5',7-Tetrahydroxy-6-prenylflavan; 3',5'-Di-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048085	3,16-Dihydroxyestra-1,3,5(10)-trien-17-one; 16?-form, Di-Ac 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048086	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-(2,6-decadien-4-ynoyl)(E,E-) 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048087	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5-triol, 5'-Methoxy, 3',4',5-tri-Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048088	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Acetoxy 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048089	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 4'-Acetoxy 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048090	4-[(3,7-Dimethyl-2,6-octadienyl)oxy]-5-methyl-2H-1-benzopyran-2-one, 10'-Acetoxy 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048091	5-Hydroxy-2,2-dimethyl-6-(2-methyl-1-oxobutyl)-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048092	5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048093	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 7-Deoxy, 7,8-didehydro(Z-) 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048094	Avicennol, Et ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048095	Calanolide A 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048096	Crotohaumanoxide 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048097	Didymic acid 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048098	Furaquinocin H; 1',5',6'-Trideoxy 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048099	Hancinone B; Me ether 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048100	Isodidymic acid 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048101	Kallolide A; Ac 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048102	Lomatin, O-(Z)-4-Octenoyl 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048103	MAB 6 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048104	Malabaricone A; 3',4'-(Methylenedioxy) 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048105	Melacarpic acid 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048106	Pseudocalanolide C 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048107	Unanisoflavan 	C22H26O5	370.178023	NA	MeJP	NA	NA
+MJ048108	Lorcainide 	C22H27ClN2O	370.181191	NA	MeJP	NA	NA
+MJ048109	3-Hydroxyandrostan-17-one, 3-Sulfate 	C19H30O5S	370.181394	NA	MeJP	NA	NA
+MetaCyc03241	3-&beta;-hydroxyandrost-5-en-17-one 3-sulfate []	C19H30O5S1	370.181395	NA	metacyc	NA	NA
+HMDB02759	Androsterone sulfate	C19H30O5S	370.181396	NA	HMDB2010	NA	NA
+HMDB06278	5a-Dihydrotestosterone sulfate	C19H30O5S	370.181396	NA	HMDB2010	NA	NA
+HMDB13232	Etiocholanolone sulfate	C19H30O5S	370.181396	NA	HMDB2010	NA	NA
+HMDB02759	Androsterone sulfate	C19H30O5S	370.1814	http://www.hmdb.ca/metabolites/HMDB02759	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02759	Androsterone sulfate	C19H30O5S	370.1814	http://www.hmdb.ca/metabolites/HMDB02759	HMDB	NA	NA
+HMDB06278	5alpha-Dihydrotestosterone sulfate	C19H30O5S	370.1814	http://www.hmdb.ca/metabolites/HMDB06278	HMDB	NA	NA
+HMDB02759	Androsterone sulfate	C19H30O5S	370.1814	http://www.hmdb.ca/metabolites/HMDB02759	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02759	Androsterone sulfate	C19H30O5S	370.1814	HMDB02759	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06278	5alpha-Dihydrotestosterone sulfate	C19H30O5S	370.1814	HMDB06278	PFEM_hmdb_metabocards_official	NA	NA
+MJ048110	Oxypendyl 	C20H26N4OS	370.182732	NA	MeJP	NA	NA
+PJ000602	GPPT 	C16H26N4O6	370.1853	NA	PeJP	NA	NA
+MJ048111	16,17-Didehydro-17-hydroxy-16-(hydroxymethyl)corynan-5-carboxylic acid 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048112	18-Hydroxyyohimbine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048113	?-Vincadifformine, 18,19?-Dihydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048114	?-Yohimbine oxindole 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048115	?-Yohimbine pseudoindoxyl 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048116	?-Yohimbine, Nb-Oxide 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048117	Ajmalicidine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048118	Ajmalicinine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048119	Alkaloid ND 370 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048120	Amsosinine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048121	Aspidodasycarpine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048122	Aspidolimidine; O-De-Me 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048123	Ciladopa 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048124	Coronaridine hydroxyindolenine; 19S-Hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048125	Coronaridine, 18,19R-Dihydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048126	Echitamidine, 12-Methoxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048127	Echitamine; N4-De-Me 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048128	Echitamine; Parent acid 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048129	Gelsemamide; 11-Methoxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048130	Gelsemine; N-Methoxy, 18,19-dihydro, 19R-hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048131	Heyneanine; 10-Hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048132	Heyneanine; 11-Hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048133	Humantenirine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048134	Isositsirikine, (4S)-N-Oxide 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048135	Pandoline, 20-Epimer, 19?-hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048136	Powerine 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048137	Raucubaine; 11-Methoxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048138	Rhyncophylline, 7-Epimer, parent acid 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048139	Rhyncophylline, Parent acid 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048140	Spermostrychnine; 17,23-Dihydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048141	Spermostrychnine; 23-Hydroxy, N4-oxide 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048142	Strychnosplendine; 19-Epimer, N1-hydroxyacetyl 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048143	Strychnosplendine; N1-Hydroxyacetyl 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048144	Tacamine; 19S-Hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048145	Vincamine, 19-Hydroxy 	C21H26N2O4	370.189257	NA	MeJP	NA	NA
+MJ048146	Echitamidine, 12-Hydroxy, Nb-Me 	C21H27N2O4(+)	370.189257	NA	MeJP	NA	NA
+C09039	Aspidodasycarpine	C21H26N2O4	370.1893	NA	KEGG	NA	NA
+C17557	Lonicerin	C21H26N2O4	370.1893	NA	KEGG	NA	NA
+3567	NA	SEPKAIP	370.1965	MH2+	Inhouse_peptide	NA	peptide
+PJ000603	SKH 	C15H26N6O5	370.1965	NA	PeJP	NA	NA
+MJ048147	1-[4-[4-[4-(Trifluoromethyl)-2-pyridinyl]-1-piperazinyl]butyl]-2-pyrrolidinone 	C18H25F3N4O	370.198046	NA	MeJP	NA	NA
+MJ048148	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-?-D-glucopyranoside 	C19H30O7	370.199153	NA	MeJP	NA	NA
+MJ048149	4,7-Megastigmadiene-3,9-diol, 9-Ketone, 3-O-?-D-glucopyranoside 	C19H30O7	370.199153	NA	MeJP	NA	NA
+MJ048150	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-?-D-glucopyranoside 	C19H30O7	370.199153	NA	MeJP	NA	NA
+MJ048151	5-Megastigmen-7-yne-3,9-diol; 3-O-?-D-Glucopyranoside 	C19H30O7	370.199153	NA	MeJP	NA	NA
+MJ048152	5-Megastigmen-7-yne-3,9-diol; 9-O-?-D-Glucopyranoside 	C19H30O7	370.199153	NA	MeJP	NA	NA
+MJ048153	Savoxepin 	C25H26N2O	370.204513	NA	MeJP	NA	NA
+MJ048154	Ocfentanil 	C22H27FN2O2	370.205656	NA	MeJP	NA	NA
+MJ048155	1(10),3-Guaiadien-8-ol; 8?-form, O-(4-Hydroxy-3-methoxybenzoyl) 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048156	1,3(15),6-Humulatrien-10-ol; 4-Hydroxy-3-methoxybenzoyl 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048157	1,3(15),6-Humulatrien-9-ol, O-(4-Hydroxy-3-methoxybenzoyl) 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048158	1-(2,4-Dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6,10-dodecadien-1-one; 6E-form, 9-Ketone 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048159	10(14)-Aromadendrene-4,8-diol, 8-(4-Methoxybenzoyl) 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048160	11-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-undecanone 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048161	2,6-Dihydroxy-2-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-3(2H)-benzofuranone 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048162	4,8-Daucadien-14-al; 14-Alcohol, 4?,5?-epoxide, O-(4-methoxybenzoyl) 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048163	4-Scirpenol, O-(6R,7R-Epoxy-2Z,4E-octadienoyl), 12,13-deepoxy 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048164	8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048165	Avarol; 2',5'-Quinone, 6'-acetoxy 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048166	Daurichromenic acid 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048167	Ilicicolin F; Dechloro, deacetoxy 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048168	Rhododaurichromanic acid A 	C23H30O4	370.214409	NA	MeJP	NA	NA
+MJ048169	Ropizine 	C24H26N4	370.215746	NA	MeJP	NA	NA
+3404	ACE inhibitor	VRP	370.221	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ000604	AAPL 	C17H30N4O5	370.2216	NA	PeJP	NA	NA
+C06495	Compound III(S)	C22H30N2O3	370.2256	NA	KEGG	NA	NA
+MJ048170	5-[7-[4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methylisoxazole 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048171	Aspidocarpine 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048172	Cylindrocarine, N-Me 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048173	Cylindrocarpinol; N-Ac 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048174	Dregamine; 3R-Alcohol, Me ether 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048175	Limaspermine 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048176	Malagashanine; 3,20-Diepimer, 21-alcohol 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048177	Vincatine 	C22H30N2O3	370.225642	NA	MeJP	NA	NA
+MJ048178	Artilide 	C19H34N2O3S	370.229013	NA	MeJP	NA	NA
+PJ000605	PVR 	C16H30N6O4	370.2329	NA	PeJP	NA	NA
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR467	6ketoProstaglandinF1? F1	NA	370.232925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR467	6ketoProstaglandinF1? F1	NA	370.232925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR467	6ketoProstaglandinF1? F1	NA	370.232925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR467	6ketoProstaglandinF1? F1	NA	370.232925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR467	6ketoProstaglandinF1? F1	F1	370.232925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR468	Thromboxane B2 F1	NA	370.235325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.2355	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR188	thromboxaneB2	C20H34O6	370.2355	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.2355	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR188	thromboxaneB2	C20H34O6	370.2355	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.2355	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR188	thromboxaneB2	C20H34O6	370.2355	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.2355	Wishlist	Inhousejuil11	NA	NA
+EUR188	thromboxaneB2	C20H34O6	370.2355	Wishlist	Inhousejuil11	NA	NA
+C05961	6-Keto-prostaglandin F1alpha	C20H34O6	370.2355	NA	KEGG	NA	NA
+C05963	Thromboxane B2	C20H34O6	370.2355	NA	KEGG	NA	NA
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB02886	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB03252	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB02886	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB03252	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB02886	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB03252	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB02886	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB03252	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB02886	HMDB	NA	NA
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB03252	HMDB	NA	NA
+HMDB04049	20-hydroxy-PGF2a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB04049	HMDB	NA	NA
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB02886	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	http://www.hmdb.ca/metabolites/HMDB03252	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02886	6-keto-Prostaglandin F1a	C20H34O6	370.23553	HMDB02886	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03252	Thromboxane B2	C20H34O6	370.23553	HMDB03252	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04049	20-hydroxy-PGF2a	C20H34O6	370.23553	HMDB04049	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02886	6-Keto-prostaglandin F1a	C20H34O6	370.235535	NA	HMDB2010	NA	NA
+HMDB03252	Thromboxane B2	C20H34O6	370.235535	NA	HMDB2010	NA	NA
+HMDB04049	20-Hydroxy-PGF2a	C20H34O6	370.235535	NA	HMDB2010	NA	NA
+MJ048179	6-Keto-prostaglandin F1alpha 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048180	11,15,19-Trihydroxy-9-oxoprost-13-enoic acid 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048181	3,5,6,10,14,16-Grayanotoxanehexol 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048182	9,11,15,19-Tetrahydroxy-5,13-prostadienoic acid 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048183	9,11,15-Trihydroxy-6-oxoprost-13-enoic acid 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048184	9,11,15-Trihydroxyprost-13-enoic acid, 6,15-Dioxo, 13,14-dihydro 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048185	Kalmanol 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048186	Platenolide II 	C20H34O6	370.235538	NA	MeJP	NA	NA
+MJ048187	Thromboxane B2 	C20H34O6	370.235538	NA	MeJP	NA	NA
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	HMDB	NA	NA
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	HMDB	NA	NA
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	Inhouse_PFEM	NA	NA
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	Inhouse_PFEM	NA	NA
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR163	6-keto-Prostaglandin-F1a(6-keto-PGF1a)	C20H34O6	370.23554	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR188	ThromboxaneB2	C20H34O6	370.23554	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00476	3-Oxo-4,6-choladienoic acid	C24H34O3	370.25079	http://www.hmdb.ca/metabolites/HMDB00476	HMDB	NA	NA
+HMDB00476	3-Oxo-4,6-choladienoic acid	C24H34O3	370.25079	HMDB00476	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00476	3-Oxo-4,6-choladienoic acid	C24H34O3	370.250793	NA	HMDB2010	NA	NA
+MJ048188	2-Heptadecyl-6-hydroxybenzoic acid; 8',9',11',12',14',15'-Hexadehydro(all-Z-) 	C24H34O3	370.250794	NA	MeJP	NA	NA
+MJ048189	4,6-Eudesmanediol, 6-O-Cinnamoyl 	C24H34O3	370.250794	NA	MeJP	NA	NA
+MJ048190	Rimexolone 	C24H34O3	370.250794	NA	MeJP	NA	NA
+MJ048191	(15-Hydroxyhexadecyl)methylenebutanedioic acid 	C21H38O5	370.271924	NA	MeJP	NA	NA
+MJ048192	2,3,4-Trihydroxy-15-clerodanoic acid, Me ester 	C21H38O5	370.271924	NA	MeJP	NA	NA
+MJ048193	Murolic acid, 4S,20-Dihydro 	C21H38O5	370.271924	NA	MeJP	NA	NA
+C13674	1-Naphthylacetylspermine	C22H34N4O	370.2733	NA	KEGG	NA	NA
+MJ048194	Antibiotic 1024 SY 1 	C20H38N2O4	370.283157	NA	MeJP	NA	NA
+MJ048195	16-Scalarene-24,25-dial 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048196	2,7,18-Ophiobolatrien-24-ol, Carboxylic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048197	3(20),7,18-Ophiobolatrien-24-ol, 24-Carboxylic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048198	3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-6-6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048199	7,13-Abietadien-18-ol; 18-Tigloyl 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048200	Cericerene; 24-Carboxylic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048201	Ceriferol 1; 23-Carboxylic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048202	Cyclolinteinone; 3-Deoxo 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048203	Flocerol; Carboxylic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048204	Gascardic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048205	Luffarin P 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048206	Luffarin Q 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048207	Penmesterol 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048208	Raoulic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048209	Retigeranic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+MJ048210	Stellatic acid 	C25H38O2	370.28718	NA	MeJP	NA	NA
+C14240	Di(2-ethylhexyl) adipate	C22H42O4	370.3083	NA	KEGG	NA	NA
+MJ048211	5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 3,5-Dimethyl-5-pentadecyl-1,2-dioxolane-3-acetic acid 	C22H42O4	370.308309	NA	MeJP	NA	NA
+MJ048212	Docosanedioic acid 	C22H42O4	370.308309	NA	MeJP	NA	NA
+MJ048213	Glycerol 1-alkanoates; Glycerol 1-(10-methyl-9Z-octadecenoate) 	C22H42O4	370.308309	NA	MeJP	NA	NA
+MJ048214	26,27-Dinorergosta-5,22-dien-3-ol 	C26H42O	370.323565	NA	MeJP	NA	NA
+MJ048215	26,27-Dinorergosta-7,22-dien-3-ol 	C26H42O	370.323565	NA	MeJP	NA	NA
+MJ048216	Cericerene; 13?-Methoxy 	C26H42O	370.323565	NA	MeJP	NA	NA
+C15119	B-Norcholest-4-en-3-one	C26H42O	370.3236	NA	KEGG	NA	NA
+MJ048217	Buxamine I; N3-Me 	C25H42N2	370.334799	NA	MeJP	NA	NA
+MJ048218	2-Hydroxy-21-methyldocosanoic acid 	C23H46O3	370.344695	NA	MeJP	NA	NA
+MJ048219	2-Hydroxytricosanoic acid 	C23H46O3	370.344695	NA	MeJP	NA	NA
+HMDB00941	Cholest-5-ene	C27H46	370.35995	http://www.hmdb.ca/metabolites/HMDB00941	HMDB	NA	NA
+HMDB00941	Cholest-5-ene	C27H46	370.35995	HMDB00941	PFEM_hmdb_metabocards_official	NA	NA
+MJ048220	22,29,30-Trisnorhopane 	C27H46	370.359951	NA	MeJP	NA	NA
+MJ048221	25,28,30-Trinormoretane 	C27H46	370.359951	NA	MeJP	NA	NA
+MJ048222	5-Cholestene 	C27H46	370.359951	NA	MeJP	NA	NA
+HMDB00941	Cholest-5-ene	C27H46	370.359955	NA	HMDB2010	NA	NA
+C05416	5-Cholestene	C27H46	370.36	NA	KEGG	NA	NA
+MJ048223	1,24-Tetracosanediol 	C24H50O2	370.38108	NA	MeJP	NA	NA
+MJ048224	1,3-Tetracosanediol 	C24H50O2	370.38108	NA	MeJP	NA	NA
+3969	NA	RADHPF	370.67145	MH2+	Inhouse_peptide	NA	peptide
+3630	NA	YPFGFL~	370.686	MH2+	Inhouse_peptide	NA	peptide
+3632	NA	YPFGFI~	370.686	MH2+	Inhouse_peptide	NA	peptide
+8159	ACE inhibitor from b-CN (203-209)	GPFPIIV	370.7145	MH2+	Inhouse_peptide	NA	peptide
+MJ048225	Fiacitabine 	C9H11FIN3O4	370.977827	NA	MeJP	NA	NA
+MJ048226	Lornoxicam 	C13H10ClN3O4S2	370.980124	NA	MeJP	NA	NA
+MJ048227	Pluracidomycin C1 	C10H13NO10S2	370.998087	NA	MeJP	NA	NA
+MJ048228	Carboplatin 	C6H12N2O4Pt	371.044481	NA	MeJP	NA	NA
+C13852	Sipatrigine	C15H16Cl3N5	371.0471	NA	KEGG	NA	NA
+MJ048229	Sipatrigine 	C15H16Cl3N5	371.047128	NA	MeJP	NA	NA
+MJ048230	Denotivir 	C18H14ClN3O2S	371.049525	NA	MeJP	NA	NA
+MJ048231	5'-Deoxy-5'-(dimethylarsinyl)adenosine 	C12H18AsN5O4	371.057475	NA	MeJP	NA	NA
+MJ048232	6,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C18H13NO8	371.064116	NA	MeJP	NA	NA
+MJ048233	6-Hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ether 	C18H13NO8	371.064116	NA	MeJP	NA	NA
+MJ048234	7,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid 	C18H13NO8	371.064116	NA	MeJP	NA	NA
+MJ048235	Antibiotic M 53B1 	C14H17N3O7S	371.07872	NA	MeJP	NA	NA
+MJ048236	Arotinolol 	C15H21N3O2S3	371.079589	NA	MeJP	NA	NA
+C13652	Ampicillin sodium	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13653	Transferred to D02120	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13654	Transferred to D02121	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13655	Transferred to D02122	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13656	Transferred to D02123	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13657	Transferred to D02124	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13658	Transferred to D02125	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13659	Transferred to D02126	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13660	Transferred to D02127	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C13661	Transferred to D02128	C16H18N3O4S	371.0916	NA	KEGG	NA	NA
+C12679	Berberine chloride	C20H18NO4	371.0924	NA	KEGG	NA	NA
+C12680	Transferred to D01251	C20H18NO4	371.0924	NA	KEGG	NA	NA
+C12681	Transferred to D01252	C20H18NO4	371.0924	NA	KEGG	NA	NA
+C12682	Transferred to D01253	C20H18NO4	371.0924	NA	KEGG	NA	NA
+C12683	Transferred to D01254	C20H18NO4	371.0924	NA	KEGG	NA	NA
+C12684	Transferred to D01255	C20H18NO4	371.0924	NA	KEGG	NA	NA
+MJ048237	6-Azauridine; 2',3',5'-Tri-Ac 	C14H17N3O9	371.096479	NA	MeJP	NA	NA
+PJ000606	CCF 	C15H21N3O4S2	371.0974	NA	PeJP	NA	NA
+C07255	Nedocromil	C19H17NO7	371.1005	NA	KEGG	NA	NA
+MJ048238	1,4,4a,5,5a,6,11,12a-Octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide 	C19H17NO7	371.100501	NA	MeJP	NA	NA
+MJ048239	3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; Tri-Me ether, Me ester 	C19H17NO7	371.100501	NA	MeJP	NA	NA
+MJ048240	Nedocromil 	C19H17NO7	371.100501	NA	MeJP	NA	NA
+MJ048241	Camazepam 	C19H18ClN3O3	371.103669	NA	MeJP	NA	NA
+PJ000607	SCY 	C15H21N3O6S	371.1151	NA	PeJP	NA	NA
+MJ048242	4-(2-Amino-3-hydroxyphenyl)-4-oxobutanoic acid; O-?-D-Glucopyranoside 	C16H21NO9	371.121631	NA	MeJP	NA	NA
+MJ048243	9-Fluoro-2,3-dihydro-3-methyl-7-oxo-10-(3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 	C19H18FN3O4	371.128134	NA	MeJP	NA	NA
+MJ048244	?-Lumicolchicine; 3-O-De-Me, N-de-Ac, N-formyl 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048245	Andesine 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048246	Colchiceine, O2-De-Me 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048247	Colchiceine, O3-De-Me 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048248	Colchicine, O1,O2-Di-de-Me 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048249	Colchicine, O2,O3-Di-de-Me 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048250	Crebanine, 7R-Hydroxy, N-oxide(?-) 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048251	Cryptopleurospermine 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048252	Delavaine; 16-Oxo 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048253	Fumaritine; Natural-form, N-Oxide 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048254	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 7-O-(4-Acetoxy-3-methyl-2Z-butenyl), 4,8-di-Me ether 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048255	Lycorine, Di-Ac 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048256	N-Deacetylcolchicine, N-Formyl, O2-de-Me 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048257	N-Deacetylcolchicine, O3-De-Me, N-formyl 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048258	N-Methyl-14-O-demethylepiporphyroxine 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048259	Ophiocarpine, ?-N-Oxide 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048260	Papaverrubine C 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048261	Papaverrubine D 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048262	Raddeanine, O2-De-Me 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048263	Taxilamine; 3,4-Dihydro 	C20H21NO6	371.136887	NA	MeJP	NA	NA
+MJ048264	Leptopinine 	C20H22NO6(+)	371.136887	NA	MeJP	NA	NA
+MJ048265	Amocarzine 	C18H21N5O2S	371.141595	NA	MeJP	NA	NA
+PJ000608	SEH 	C14H21N5O7	371.1441	NA	PeJP	NA	NA
+MJ048266	Darodipine 	C19H21N3O5	371.14812	NA	MeJP	NA	NA
+MJ048267	Isradipine 	C19H21N3O5	371.14812	NA	MeJP	NA	NA
+MetaCyc03242	curcumin [diferuloylmethane;]	C21H23O6	371.149463	NA	metacyc	NA	NA
+MJ048268	Trazodone 	C19H22ClN5O	371.151288	NA	MeJP	NA	NA
+C07156	Trazodone	C19H22ClN5O	371.1513	NA	KEGG	NA	NA
+C07157	Transferred to D00384	C19H22ClN5O	371.1513	NA	KEGG	NA	NA
+C07158	Transferred to D00385	C19H22ClN5O	371.1513	NA	KEGG	NA	NA
+MJ048269	Sulverapride 	C16H25N3O5S	371.151491	NA	MeJP	NA	NA
+MJ048270	Tipentosin 	C21H25NO3S	371.155514	NA	MeJP	NA	NA
+MJ048271	Adenosine; N-(2-Methylbenzyl) 	C18H21N5O4	371.159354	NA	MeJP	NA	NA
+PJ000609	CLH 	C15H25N5O4S	371.1627	NA	PeJP	NA	NA
+MJ048272	Olanexidine 	C17H27Cl2N5	371.164351	NA	MeJP	NA	NA
+3650	NA	YPFGFN~	371.16545	MH2+	Inhouse_peptide	NA	peptide
+MJ048273	Lenperone 	C22H23F2NO2	371.169685	NA	MeJP	NA	NA
+MJ048274	1,2-Dihydroxy-2,10,11-trimethoxyhomoaporphine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048275	8,14-Dihydrosalutaridine, Ac 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048276	8-(3,3-Dimethylallyloxy)-N-methylflindersine; 7-Methoxy, 2'',3''-epoxide 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048277	Acutifolidine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048278	Alkaloid CC-10 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048279	Androbine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048280	Androcymbine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048281	Argemonine, N-Oxide 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048282	Baytopine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048283	Capaurine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048284	Cardionidine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048285	Cataline 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048286	Catalpifoline, N-Me, N-Oxide 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048287	Collutine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048288	Demecolcine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048289	Erythrartine; Ac 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048290	Floramultine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048291	Isooconovine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048292	Mattogrossine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048293	Multifloramine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048294	Muramine; O9-De-Me 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048295	N-(3,4-Dihydroxycinnamoyl)dopamine, Tetra-Me ether 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048296	Oconovine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048297	Stephabinamine, 11-Me ether 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048298	Stepharotine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048299	Szovitsine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048300	Tetrahydropalmatine, N-Oxide(R-) 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048301	Tetrahydropalmatine, N-Oxide(S-) 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048302	Thaicanine 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048303	Thalicsimidine, N-De-Me 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048304	Thalicsimidine, O1-De-Me 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048305	Thalicsimidine, O3-De-Me 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048306	Thalicsimidine, O9-De-Me 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048307	Xylopinine, N-Oxide (?-) 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MJ048308	Xylopinine, N-Oxide (?-) 	C21H25NO5	371.173272	NA	MeJP	NA	NA
+MetaCyc03243	7-O-acetylsalutaridinol []	C21H25N1O5	371.173273	NA	metacyc	NA	NA
+C05322	7-O-Acetylsalutaridinol	C21H25NO5	371.1733	NA	KEGG	NA	NA
+C09371	Capaurine	C21H25NO5	371.1733	NA	KEGG	NA	NA
+C10569	Androcymbine	C21H25NO5	371.1733	NA	KEGG	NA	NA
+C11250	Demecolcine	C21H25NO5	371.1733	NA	KEGG	NA	NA
+C16708	Isoandrocymbine	C21H25NO5	371.1733	NA	KEGG	NA	NA
+C16713	Floramultine	C21H25NO5	371.1733	NA	KEGG	NA	NA
+MJ048309	Antibiotic BAY o 6997 	C15H25N5O6	371.180483	NA	MeJP	NA	NA
+MJ048310	Lysidine 	C15H26N5O6(+)	371.180483	NA	MeJP	NA	NA
+PJ000610	PQQ 	C15H25N5O6	371.1805	NA	PeJP	NA	NA
+MJ048311	Cinoxopazide 	C20H25N3O4	371.184506	NA	MeJP	NA	NA
+MJ048312	Ecabapide 	C20H25N3O4	371.184506	NA	MeJP	NA	NA
+MJ048313	Pallidin 	C20H25N3O4	371.184506	NA	MeJP	NA	NA
+MJ048314	Croalbidine 	C18H29NO7	371.194402	NA	MeJP	NA	NA
+MJ048315	Europine; 5'-O-Ac 	C18H29NO7	371.194402	NA	MeJP	NA	NA
+MJ048316	Europine; O7-Ac 	C18H29NO7	371.194402	NA	MeJP	NA	NA
+MJ048317	?,?-Diphenyl-4-piperidinemethanol; N-Diethylphosphoryl 	C22H30NO2P	371.201415	NA	MeJP	NA	NA
+MJ048318	Octastine 	C23H30ClNO	371.201592	NA	MeJP	NA	NA
+MJ048319	Propioxatin A 	C17H29N3O6	371.205635	NA	MeJP	NA	NA
+MJ048320	Andersobine 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048321	Bucharamine 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048322	Dehydronapelline; 15-Ac, N-de-Et 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048323	Delnuttine 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048324	Hetisine; O13-Ac 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048325	Homolaudanosine 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048326	Kirinine C 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048327	Lepenine; N-De-Et, 19,21(N)-didehydro, 1-Ac 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048328	Septentriosine; 19-Epimer, 1-deoxy, O2-Ac 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048329	Tuberostemonine; 1,11,15-Triepimer, 1,2,3,9a-tetradehydro 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048330	Tuberostemonine; 1,2,3,9a-Tetradehydro 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+MJ048331	Tuberostemonine; 5'-Epimer, 1,2,3,9a-tetradehydro 	C22H29NO4	371.209658	NA	MeJP	NA	NA
+PJ000611	PQK 	C16H29N5O5	371.2169	NA	PeJP	NA	NA
+C07108	Tamoxifen	C26H29NO	371.2249	NA	KEGG	NA	NA
+C07109	Transferred to D00367	C26H29NO	371.2249	NA	KEGG	NA	NA
+C07110	Transferred to D00368	C26H29NO	371.2249	NA	KEGG	NA	NA
+MJ048332	Tamoxifen 	C26H29NO	371.224914	NA	MeJP	NA	NA
+MetaCyc03244	tamoxifen []	C26H29N1O1	371.224915	NA	metacyc	NA	NA
+MJ048333	Crystal violet 	C25H30N3(+)	371.236147	NA	MeJP	NA	NA
+MJ048334	Daphniphyllum Alkaloid A1 	C23H33NO3	371.246043	NA	MeJP	NA	NA
+MJ048335	Kirinine B; 11-Me ether 	C23H33NO3	371.246043	NA	MeJP	NA	NA
+MJ048336	Songorine; 1-Me ether 	C23H33NO3	371.246043	NA	MeJP	NA	NA
+MJ048337	Spirajine 	C23H33NO3	371.246043	NA	MeJP	NA	NA
+MJ048338	Spiramine J 	C23H33NO3	371.246043	NA	MeJP	NA	NA
+MJ048339	Yuzurimine B; Ac 	C23H33NO3	371.246043	NA	MeJP	NA	NA
+PJ000612	PKK 	C17H33N5O4	371.2533	NA	PeJP	NA	NA
+MJ048340	2-Tridecyl-4(1H)-quinolinone; 8-Methoxy, N-Me 	C24H37NO2	371.282429	NA	MeJP	NA	NA
+MJ048341	Buxtauine M 	C24H37NO2	371.282429	NA	MeJP	NA	NA
+MJ048342	Hexolame 	C24H37NO2	371.282429	NA	MeJP	NA	NA
+HMDB05066	Tetradecanoylcarnitine	C21H41NO4	371.303558	NA	HMDB2010	NA	NA
+MJ048343	Cassia Alkaloid D 	C22H45NO3	371.339944	NA	MeJP	NA	NA
+3695	NA	YPFGFGG	371.657	MH2+	Inhouse_peptide	NA	peptide
+3602	NA	YPFGFD~	371.65745	MH2+	Inhouse_peptide	NA	peptide
+3581	NA	FRHSVV	371.6975	MH2+	Inhouse_peptide	NA	peptide
+MJ048344	2,3,5-Tribromo-6-methoxy-1,4-benzoquinone 	C7H3Br3O3	371.763231	NA	MeJP	NA	NA
+C18107	1,2,3,4,7,8-Hexachlorodibenzofuran	C12H2Cl6O	371.8237	NA	KEGG	NA	NA
+C18108	1,2,3,7,8,9-Hexachlorodibenzofuran	C12H2Cl6O	371.8237	NA	KEGG	NA	NA
+C18109	1,2,3,6,7,8-Hexachlorodibenzofuran	C12H2Cl6O	371.8237	NA	KEGG	NA	NA
+C18110	2,3,4,6,7,8-Hexachlorodibenzofuran	C12H2Cl6O	371.8237	NA	KEGG	NA	NA
+MJ048345	4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone 	C9H10BrIO3	371.8858	NA	MeJP	NA	NA
+MJ048346	Di-2-pyridinyl disulfide; N,N'-Dioxide, MgSO4 complex 	C10H8MgN2O6S3	371.939489	NA	MeJP	NA	NA
+MJ048347	Beta-1,2,3,4,5,6-hexachlorocyclohexane 	C12H18Cl6	371.953966	NA	MeJP	NA	NA
+MJ048348	Fialuridine 	C9H10FIN2O5	371.961843	NA	MeJP	NA	NA
+MJ048349	Filiformin; 6-Bromo 	C15H18Br2O	371.97244	NA	MeJP	NA	NA
+MJ048350	Filiformin; Debromo, 6,6-dibromo 	C15H18Br2O	371.97244	NA	MeJP	NA	NA
+MJ048351	Laurenisol; 10-Bromo 	C15H18Br2O	371.97244	NA	MeJP	NA	NA
+MJ048352	Brevifolincarboxylic acid; 9-Sulfate 	C13H8O11S	371.978731	NA	MeJP	NA	NA
+MJ048353	Topopyrone A 	C18H9ClO7	372.00368	NA	MeJP	NA	NA
+MJ048354	Topopyrone B 	C18H9ClO7	372.00368	NA	MeJP	NA	NA
+MJ048355	Didemnoline A 	C16H13BrN4S	372.004429	NA	MeJP	NA	NA
+MJ048356	Clazuril 	C17H10Cl2N4O2	372.01808	NA	MeJP	NA	NA
+MJ048357	Bis(tetrahydrothiophene)gold(I)(1+) 	C8H16AuS2(+)	372.028068	NA	MeJP	NA	NA
+C13677	4-(N-Maleimido)benzyltrimethylammonium iodide	C14H17N2O2	372.0335	NA	KEGG	NA	NA
+MJ048358	Austocystin A 	C19H13ClO6	372.040065	NA	MeJP	NA	NA
+MJ048359	Sterigmatocystin; 9-Chloro, 8-Me ether 	C19H13ClO6	372.040065	NA	MeJP	NA	NA
+C10334	Dothistromin	C18H12O9	372.0481	NA	KEGG	NA	NA
+FLIFWYNS0005	Repenol;6a,12a-Dehydro-3,9,10,11-tetrahydroxy-6-acetoxyrotenone	C18H12O9	372.04813	128486-16-8	knapsack	NA	NA
+MJ048360	Coccineone B; 2,9-Dihydroxy, 6-Ac 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048361	Dothistromin 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048362	Eckol 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048363	Flavellagic acid; 7,8-Methylene, 1,2,3-tri-Me ether 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048364	Gomphidic acid 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048365	Stictic acid; O-De-Me 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048366	Substictic acid 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048367	Variegatic acid 	C18H12O9	372.048131	NA	MeJP	NA	NA
+MJ048368	Antibiotic C4 	C14H16N2O8S	372.062736	NA	MeJP	NA	NA
+MJ048369	Cyclodiospyrin 	C22H12O6	372.063388	NA	MeJP	NA	NA
+MJ048370	Psoralen 3,4-dimer 	C22H12O6	372.063388	NA	MeJP	NA	NA
+MJ048371	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5-O-?-D-Glucopyranoside 	C15H16O11	372.069261	NA	MeJP	NA	NA
+MetaCyc03245	2-O-caffeoylglucarate []	C15H16O11	372.069261	NA	metacyc	NA	NA
+C03062	2-O-Caffeoylglucarate	C15H16O11	372.0693	NA	KEGG	NA	NA
+MJ048372	Ridazolol 	C15H18Cl2N4O3	372.075595	NA	MeJP	NA	NA
+MJ048373	N,N,N',N'-Tetramethyl-1,6-hexanediamine; Polymer with 1,3-dibromopropane 	C13H30Br2N2	372.077574	NA	MeJP	NA	NA
+MJ048374	Sulindac, S-Oxide 	C20H17FO4S	372.083157	NA	MeJP	NA	NA
+FL5FACNS0002	Quercetin 3-isobutyrate	C19H16O8	372.08451	102607-66-9	knapsack	NA	NA
+FL5FACNS0003	Quercetin 3'-isobutyrate	C19H16O8	372.08451	102607-69-2	knapsack	NA	NA
+FL5FACNS0004	Quercetin 4'-isobutyrate	C19H16O8	372.08451	102607-62-5	knapsack	NA	NA
+FL5FECNS0042	Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C19H16O8	372.08451	485-53-0	knapsack	NA	NA
+FL5FFANS0018	Herbacetin 8-butyrate	C19H16O8	372.08451	83677-11-6	knapsack	NA	NA
+FL5FFANS0021	Herbacetin 7,4'-dimethyl ether 8-acetate	C19H16O8	372.08451	69436-87-9	knapsack	NA	NA
+FL5FFCNS0031	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one	C19H16O8	372.08451	7741-42-6	knapsack	NA	NA
+FL5FFCNS0032	5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H16O8	372.08451	54087-33-1	knapsack	NA	NA
+FLIFWYNS0002	Stemonal	C19H16O8	372.08451	54357-82-3	knapsack	NA	NA
+MJ048375	3',4',5,5',6,7-Hexahydroxyisoflavone; 6,7-Methylene, 3',4',5'-tri-Me ether 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048376	3',4',5-Trihydroxy-3,7,8-trimethoxyflavone; 3',4'-Methylene ether 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048377	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 9'-Me ester 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048378	3,3',4',5,6,7-Hexahydroxyflavone; 3',4'-Methylene, 3,6,7-tri-Me ether 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048379	3,3',4',5,7,8-Hexahydroxyflavone; 3',4'-Methylene, 3,5,8-tri-Me ether 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048380	3,3',4',5,7-Pentahydroxyflavone; 3'-O-(2-Methylpropanoyl) 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048381	3,3',4',5,7-Pentahydroxyflavone; 3-O-(2-Methylpropanoyl) 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048382	3,3',4',5,7-Pentahydroxyflavone; 4'-O-(2-Methylpropanoyl) 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048383	3,4',5,7,8-Pentahydroxyflavone; 4',7-Di-Me ether, 8-Ac 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048384	3,4',5,7,8-Pentahydroxyflavone; 8-O-Butanoyl 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048385	Antibiotic K 802-4 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048386	Antibiotic WP 3688-4 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048387	Austrocorticinic acid; 4-Hydroxy 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048388	Derrusnin; 6-Methoxy, O4-de-Me 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048389	Hyposalazinic acid; 4-Me ether 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048390	Psorofebrin; O-De-Me, 11-O-Me, 5'-hydroxy 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048391	Rhodocomatulin; 8-Hydroxy, 7-Me ether 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048392	Sakyomicin B 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048393	Stemonal 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048394	Usararotenoid B 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048395	Virensic acid; Me ester 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048396	?1-Rhodomycinone 	C19H16O8	372.084517	NA	MeJP	NA	NA
+MJ048397	Glafenine 	C19H17ClN2O4	372.087684	NA	MeJP	NA	NA
+MJ048398	Oxametacin 	C19H17ClN2O4	372.087684	NA	MeJP	NA	NA
+MJ048399	Aplysistatin; 12-Deoxo, 6?-acetoxy 	C17H25BrO4	372.093621	NA	MeJP	NA	NA
+FL1C1ANN0002	Lophirone E	C23H16O5	372.09977	122127-72-4	knapsack	NA	NA
+FL2F1ANN0001	Lophirone I;(S)-2,3-Dihydro-7-hydroxy-2-[2-(4-hydroxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one	C23H16O5	372.09977	155548-31-5	knapsack	NA	NA
+MJ048400	8-Benzoyl-5,7-dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 5-Me ether 	C23H16O5	372.099773	NA	MeJP	NA	NA
+MJ048401	Lophirone I 	C23H16O5	372.099773	NA	MeJP	NA	NA
+MJ048402	Ohioensin C 	C23H16O5	372.099773	NA	MeJP	NA	NA
+C09956	Ohioensin-A	C23H16O5	372.0998	NA	KEGG	NA	NA
+MJ048403	Cycloshermilamine D 	C21H16N4OS	372.104481	NA	MeJP	NA	NA
+MJ048404	Randioside 	C16H20O10	372.105646	NA	MeJP	NA	NA
+MJ048405	Veranisatin A; 4?-Hydroxy, 15-carboxylic acid, Me ester 	C16H20O10	372.105646	NA	MeJP	NA	NA
+MJ048406	altro-2-Heptulose, 7-(3,4-Dihydroxy-E-cinnamoyl) 	C16H20O10	372.105646	NA	MeJP	NA	NA
+MJ048407	Anhydroalstonatine 	C22H16N2O4	372.111007	NA	MeJP	NA	NA
+MJ048408	Broussonetine 	C22H16N2O4	372.111007	NA	MeJP	NA	NA
+C10186	Sinensetin	C20H20O7	372.1209	NA	KEGG	NA	NA
+C10190	Tangeretin	C20H20O7	372.1209	NA	KEGG	NA	NA
+C10883	Sesamolinol	C20H20O7	372.1209	NA	KEGG	NA	NA
+FL1CHYNS0010	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone	C20H20O7	372.1209	622851-67-6	knapsack	NA	NA
+FL2FACNI0016	Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone	C20H20O7	372.1209	677709-68-1	knapsack	NA	NA
+FL2FACNP0003	Sigmoidin D	C20H20O7	372.1209	106533-44-2	knapsack	NA	NA
+FL2FADNS0002	5,7,4'-Trihydroxy-3'-methoxyflavanone 4'-O-isobutyrate	C20H20O7	372.1209	140163-21-9	knapsack	NA	NA
+FL3F2GNS0003	Prosogerin C	C20H20O7	372.1209	70793-62-3	knapsack	NA	NA
+FL3F3GNS0003	7,8,3',4',5'-Pentamethoxyflavone	C20H20O7	372.1209	133342-97-9	knapsack	NA	NA
+FL3F98NS0014	5,6,2',3',6'-Pentamethoxyflavone;5,6-Dimethoxy-2-(2,3,6-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O7	372.1209	851383-33-0	knapsack	NA	NA
+FL3F9GNS0001	Cerosilin B	C20H20O7	372.1209	59481-47-9	knapsack	NA	NA
+FL3F9LNS0002	5,6,2',3',4'-Pentamethoxyflavone;5,6-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O7	372.1209	113738-80-0	knapsack	NA	NA
+FL3FAGNI0001	Asplenetin	C20H20O7	372.1209	97180-29-5	knapsack	NA	NA
+FL3FALNS0011	5,7,2',3',4'-Pentamethoxyflavone;5,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O7	372.1209	89121-55-1	knapsack	NA	NA
+FL3FALNS0012	5,7,2',4',6'-Pentamethoxyflavone;5,7-Dimethoxy-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O7	372.1209	502633-20-7	knapsack	NA	NA
+FL3FDKNS0001	Tricetin 5,7,3',4',5'-pentamethyl ether;5,7,3',4',5'-Pentamethoxyflavone;5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O7	372.1209	53350-26-8	knapsack	NA	NA
+FL3FECNS0024	Sinensetin;5,6,7,3',4'-Pentamethoxyflavone;Pedalitin permethyl ether;2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C20H20O7	372.1209	2306-27-6	knapsack	NA	NA
+FL3FFCNS0007	Isosinensetin;6-Demethoxynobiletin;5,7,8,3',4'-Pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O7	372.1209	17290-70-9	knapsack	NA	NA
+FL3FGANS0002	Tangeretin	C20H20O7	372.1209	481-53-8	knapsack	NA	NA
+FL4DACNI0001	7-O-Prenyltaxifolin	C20H20O7	372.1209	78876-51-4	knapsack	NA	NA
+FL5F4ANS0001	Auranetin	C20H20O7	372.1209	522-16-7	knapsack	NA	NA
+FL5FA8NS0007	3,5,7,2',6'-Pentamethoxyflavone	C20H20O7	372.1209	-	knapsack	NA	NA
+FL5FAANI0002	3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone	C20H20O7	372.1209	143724-79-2	knapsack	NA	NA
+FL5FAANI0005	Noricaritin	C20H20O7	372.1209	5240-95-9	knapsack	NA	NA
+FL5FDDNM0005	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone	C20H20O7	372.1209	99339-46-5	knapsack	NA	NA
+FL5FDFNM0001	2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one	C20H20O7	372.1209	54945-91-4	knapsack	NA	NA
+FL5FDFNS0005	Quercetin pentamethyl ether	C20H20O7	372.1209	1247-97-8	knapsack	NA	NA
+FL5FFANS0016	Herbacetin pentamethyl ether;3,5,7,8,4'-Pentamethoxyflavone;3,5,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C20H20O7	372.1209	24027-55-2	knapsack	NA	NA
+FL5FG9NS0006	3,5,6,7,8-Pentamethoxyflavone	C20H20O7	372.1209	14221-85-3	knapsack	NA	NA
+FLIA2GNS0002	6,7,2',3',4'-Pentamethoxyisoflavone	C20H20O7	372.1209	33978-66-4	knapsack	NA	NA
+FLIA2GNS0003	6,7,2',4',5'-Pentamethoxyisoflavone	C20H20O7	372.1209	24203-68-7	knapsack	NA	NA
+FLIA2LNS0005	6,7,3',4',5'-Pentamethoxyisoflavone	C20H20O7	372.1209	58523-19-6	knapsack	NA	NA
+FLIAALNI0015	2,3-Dehydrokievitone hydrate;5,7,2',4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)isoflavone	C20H20O7	372.1209	104691-93-2	knapsack	NA	NA
+FLIAALNS0007	Robustigenin methyl ether;5,7,2',4',5'-Pentamethoxyisoflavone	C20H20O7	372.1209	72545-41-6	knapsack	NA	NA
+FLIBALNI0010	Kievitol	C20H20O7	372.1209	104363-14-6	knapsack	NA	NA
+MJ048409	1,2,3,5,8-Pentahydroxy-6-methylanthraquinone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048410	15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide, 6?-Hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048411	15,16-Epoxy-10-hydroxy-2,7,13(16),14-clerodatetraene-17,12:18,19-diolide, 2?,3?-Epoxide 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048412	15,16-Epoxy-2,19-dihydroxy-3,8(17),13(16),14-clerodatetraene-18,6:20,12-diolide 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048413	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 6-Ketone 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048414	19-Hydroxypteronia dilactone; 19-Ketone 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048415	2',3',4',5,6-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048416	2',3',4',6,7-Pentahydroxyisoflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048417	2',3,3',4',7-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048418	2',4',5',6,7-Pentahydroxyisoflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048419	2',4',5,5',7-Pentahydroxyisoflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048420	2',4',5,7-Tetrahydroxy-6-prenylflavone; 2'',3''-Dihydro, 3''-hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048421	2',4',5,7-Tetrahydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048422	3',4',5',6,7-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048423	3',4',5',6,7-Pentahydroxyisoflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048424	3',4',5',7,8-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048425	3',4',5',7,8-Pentahydroxyisoflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048426	3',4',5,5',6-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048427	3',4',5,5',7-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048428	3',4',5,6,7-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048429	3',4',5,7,8-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048430	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 4'-O-(2-methylpropanoyl) 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048431	3,3',4',5,7-Pentahydroxy-6,8-dimethylflavone; 3,3',7-Tri-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048432	3,3',4',5,7-Pentahydroxy-6-methylflavone; 3,3',4',7-Tetra-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048433	3,3',4',5,7-Pentahydroxy-8-methylflavone; 3,3',4',7-Tetra-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048434	3,3',4',5,7-Pentahydroxyflavanone, 7-O-(3-Methyl-2-butenyl) 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048435	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048436	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048437	3,3',4,4',9,9'-Hexahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048438	3,4',5,6,8-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048439	3,4',5,7,8-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048440	3,4',5,7-Tetrahydroxy-6-prenylflavone; 2'',3''-Dihydro, 3''-hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048441	3,4',6,7,8-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048442	3,5,6,7,8-Pentahydroxyflavone; Penta-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048443	4',5,6,7,8-Pentamethoxyflavone 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048444	4,4',8,9'-Tetrahydroxy-3',5-dimethoxy-2,7'-cyclolignan-9-oic acid; ?-Lactone 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048445	?-Thujaplicatene 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048446	Asplenetin 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048447	Averantin 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048448	Cladospirone H 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048449	Cyclokievitone; 9,10-Dihydro, 9-hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048450	Disynaphiolide 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048451	Elemiferone; 2',3'-Di-Ac 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048452	Excavatin D, 8-Methoxy, 9'-hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048453	Fibleucin; 2?,3?-Epoxide 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048454	Fibleucin; 6?-Hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048455	Graminone A 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048456	Hydroxymatairesinol; 7-Ketone 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048457	Juglorin 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048458	Monoepoxylignanolide 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048459	Naphthgeranine D; 4-Deoxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048460	Nephroarctin 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048461	Norherqueinone; 8-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048462	Piperitol, 6-Hydroxy 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048463	Psorospermindiol; O4'-Me 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048464	Psorospermindiol; O5-Me 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048465	Salvianduline B 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048466	Sesamolinol 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048467	Sigmoidin D 	C20H20O7	372.120902	NA	MeJP	NA	NA
+MJ048468	Spectomycin A2; 8-Me ether 	C20H20O7	372.120902	NA	MeJP	NA	NA
+PJ000613	CNH 	C13H20N6O5S	372.1216	NA	PeJP	NA	NA
+MJ048469	18-Bromo-15-hydroxy-12,16,17-octadecatrienoic acid 	C18H29BrO3	372.130007	NA	MeJP	NA	NA
+MJ048470	18-Bromo-15-hydroxy-13,16,17-octadecatrienoic acid 	C18H29BrO3	372.130007	NA	MeJP	NA	NA
+MJ048471	Pycnosanguin 	C19H20N2O6	372.132136	NA	MeJP	NA	NA
+C01533	Syringin	C17H24O9	372.142	NA	KEGG	NA	NA
+MJ048472	1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',5'-Di-Me ether, 4'-O-?-D-glucopyranoside 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048473	2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone, 2-O-?-D-Glucopyranoside 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048474	3-(2,3,5-Trihydroxyphenyl)-2-propen-1-ol, 2',5'-Di-Me ether, 3'-O-?-D-glucopyranoside 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048475	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[3-Methylbutanoyl-(?6)-?-D-glucopyranoside] 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048476	Jioglutoside B; Derhamnosyl 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048477	Macrosphelide A; 13,14-Dihydro, 13-methoxy, 15-ketone 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048478	Sinapyl alcohol, 1-O-?-D-Glucopyranoside 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048479	Sinapyl alcohol, 4'-O-?-D-Glucopyranoside 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048480	Syringenone 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MJ048481	Syringin 	C17H24O9	372.142032	NA	MeJP	NA	NA
+MetaCyc03246	syringin [sinapyl alcohol-4-O-&beta;-D-glucopyranoside;]	C17H24O9	372.142032	NA	metacyc	NA	NA
+PJ000614	GPPC 	C15H24N4O5S	372.1468	NA	PeJP	NA	NA
+HMDB02873	Deacetyldiltiazem	C20H24N2O3S	372.150757	NA	HMDB2010	NA	NA
+HMDB02873	Deacetyldiltiazem	C20H24N2O3S	372.15076	http://www.hmdb.ca/metabolites/HMDB02873	HMDB	NA	NA
+HMDB02873	Deacetyldiltiazem	C20H24N2O3S	372.15076	HMDB02873	PFEM_hmdb_metabocards_official	NA	NA
+FL6DBANI0001	5-O-Methyl-8-prenylafzelechin-4beta-ol	C21H24O6	372.15728	76319-12-5	knapsack	NA	NA
+HMDB05789	Tetrahydrocurcumin	C21H24O6	372.157288	NA	HMDB2010	NA	NA
+MJ048482	12,20:15,16-Diepoxy-3,8(17),13(16),14-clerodatetraen-19,20-olid-18-oic acid, 8,17-Dihydro, Me ester 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048483	15,16-Epoxy-12-oxo-3,13(16),14-clerodatrien-18,19-olid-17-oic acid; ent-form, Me ester 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048484	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2-Ketone, Me ester 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048485	15,16-Epoxy-4-hydroxy-2,7,13(16),14-clerodatetraen-17,12-olid-18-oic acid, Me ester 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048486	15,16-Epoxy-6,18-dihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide, 6-Ketone, 18-Ac 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048487	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 4'-Deoxy, 1'-O-(3-methyl-2-butenoyl) 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048488	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,4-Methylene, 3',5'-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048489	3',4,4',5,9-Pentahydroxy-9,9'-epoxy-2,7'-cyclolignan, 3',5,9-Tri-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048490	3'-O-Demethyldenudanolide B; 3',4'-Di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048491	3,3',4,4',7'-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3',4'-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048492	3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3',4'-Methylene, 3,4-di-Me-ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048493	3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3,4-Methylene, 3',4'-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048494	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3',4'-Methylene, 3,4-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048495	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3',4'-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048496	3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3',4'-Methylene, 3,4-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048497	3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3,4-Methylene, 3',4'-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048498	3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3',4'-Methylene, 3,4-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048499	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4,4'-Tri-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048500	3,4,4',5,7-Pentahydroxy-8-prenylflavan, 5-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048501	3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 3',4'-Methylene, 3,4-di-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048502	3,6:7,8-Diepoxy-3,5,11,15-cembratetraen-20,10-olid-18-oic acid, Me ester 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048503	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Methyl-2-propenoyl), 3-Ac 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048504	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(2-Methylbutanoyl) 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048505	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methylbutanoyl) 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048506	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(2-Methylbutanoyl) 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048507	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Methylbutanoyl) 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048508	6-Allyl-3,6-dimethoxy-4-[2-hydroxy-1-methyl-2-(3,4-methylenedioxyphenyl)]-2,4-cyclohexadien-1-one 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048509	8,9-Dihydroxy-1(10),2,4(15),11(13)-guaiatetraen-12,6-olide, 8-(Methylpropanoyl), 9-Ac 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048510	Antibiotic FD 885 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048511	Arctigenin 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048512	Aremenin C 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048513	Armenin B 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048514	Bergamottin; 6',7'-Dihydro, 6',7'-dihydroxy 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048515	Carinatol; 7-Ketone, 9-hydroxy 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048516	Dysodanthin A 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048517	Eusiderin A; 3'-O-De-Me 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048518	Eusiderin A; 4'-O-De-Me 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048519	Eusiderin M; 9-Deoxy, O4'-de-Me 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048520	Fargesone A 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048521	Gaultherin C; 3-Demethoxy 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048522	Gorgiacerodiol; 12-Deoxy 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048523	Guayarol; 3'-Me ether 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048524	Haplomitrenolide A; 20-Carboxylic acid, Me ester 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048525	Kadsurin B; 6-Ketone 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048526	Licoriphenone 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048527	Monankarin C 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048528	Myricanol; 13-Oxo 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048529	Myricanol; Ketone, 12-hydroxy 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048530	Penicillide 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048531	Phillygenin 	C21H24O6	372.157288	NA	MeJP	NA	NA
+MJ048532	Rishirilide B 	C21H24O6	372.157288	NA	MeJP	NA	NA
+HMDB05789	Tetrahydrocurcumin	C21H24O6	372.15729	http://www.hmdb.ca/metabolites/HMDB05789	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05789	Tetrahydrocurcumin	C21H24O6	372.15729	http://www.hmdb.ca/metabolites/HMDB05789	HMDB	NA	NA
+HMDB05789	Tetrahydrocurcumin	C21H24O6	372.15729	http://www.hmdb.ca/metabolites/HMDB05789	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05789	Tetrahydrocurcumin	C21H24O6	372.15729	HMDB05789	PFEM_hmdb_metabocards_official	NA	NA
+C10545	(-)-Arctigenin	C21H24O6	372.1573	NA	KEGG	NA	NA
+C10563	Fargesone A	C21H24O6	372.1573	NA	KEGG	NA	NA
+C10640	Kadsurin A	C21H24O6	372.1573	NA	KEGG	NA	NA
+MJ048533	Cyclo(tryptophyltryptophyl) 	C22H20N4O2	372.158625	NA	MeJP	NA	NA
+MJ048534	Ecenofloxacin 	C19H21FN4O3	372.159768	NA	MeJP	NA	NA
+MJ048535	1-[5-(4-Chlorobenzoyl)-1,2,4-trimethyl-1H-pyrrol-3-yl]-2-(1-piperidinyl)ethanone 	C21H25ClN2O2	372.160455	NA	MeJP	NA	NA
+MJ048536	4-(Chloromethyl)-2,16-didehydro-16-(methoxycarbonyl)condyfolanium 	C21H26ClN2O2(+)	372.160455	NA	MeJP	NA	NA
+MJ048537	Clavamycin F 	C15H24N4O7	372.164499	NA	MeJP	NA	NA
+C17395	Clavamycin F	C15H24N4O7	372.1645	NA	KEGG	NA	NA
+PJ000615	PQE 	C15H24N4O7	372.1645	NA	PeJP	NA	NA
+8039	synthetic peptide	PWA	372.168	antibacterial	Inhouse_peptide	NA	peptide
+MJ048538	Codoxime 	C20H24N2O5	372.168521	NA	MeJP	NA	NA
+MJ048539	Diamfenetide 	C20H24N2O5	372.168521	NA	MeJP	NA	NA
+MJ048540	Medroxalol 	C20H24N2O5	372.168521	NA	MeJP	NA	NA
+MJ048541	Aminoquinuride 	C21H20N6O	372.169859	NA	MeJP	NA	NA
+C14955	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate	C22H28O3S	372.1759	NA	KEGG	NA	NA
+MJ048542	2-Methyl-6-methylene-2-octene-1,8-diol, 1-Aldehyde, 8-O-(2-acetyl-?-D-glucopyranoside) 	C18H28O8	372.178417	NA	MeJP	NA	NA
+MJ048543	6-(1-Methylpropyl)-1,2,4-benzenetriol, 2,4-Di-Me ether, 1-O-?-D-glucopyranoside 	C18H28O8	372.178417	NA	MeJP	NA	NA
+MJ048544	Cinatrin A; 9',10'-Dihydro 	C18H28O8	372.178417	NA	MeJP	NA	NA
+MJ048545	Pyroglutamylphenylalanylprolinamide 	C19H24N4O4	372.179755	NA	MeJP	NA	NA
+PJ000616	APW 	C19H24N4O4	372.1798	NA	PeJP	NA	NA
+C07677	Acebutolol hydrochloride	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07678	Transferred to D00598	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07679	Transferred to D00599	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07680	Transferred to D00600	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07681	Transferred to D00601	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07682	Transferred to D00602	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07683	Transferred to D00603	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07684	Transferred to D00604	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07685	Transferred to D00605	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07686	Transferred to D00606	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07687	Transferred to D00607	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07688	Transferred to D00608	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07689	Transferred to D00609	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07690	Transferred to D00610	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07691	Transferred to D00611	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C07692	Transferred to D00612	C18H28N2O4	372.1816	NA	KEGG	NA	NA
+C05552	N6-D-Biotinyl-L-lysine	C16H28N4O4S	372.1831	NA	KEGG	NA	NA
+MJ048546	Biocytin 	C16H28N4O4S	372.183126	NA	MeJP	NA	NA
+HMDB03134	Biocytin	C16H28N4O4S	372.183136	NA	HMDB2010	NA	NA
+HMDB03134	Biocytin	C16H28N4O4S	372.18314	http://www.hmdb.ca/metabolites/HMDB03134	HMDB	NA	NA
+HMDB03134	Biocytin	C16H28N4O4S	372.18314	HMDB03134	PFEM_hmdb_metabocards_official	NA	NA
+8280	Antioxidative peptide	NPYVPR	372.18945	MH2+	Inhouse_peptide	NA	peptide
+MJ048547	Lascivol 	C17H28N2O7	372.189651	NA	MeJP	NA	NA
+MJ048548	1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, 6?,10?-epoxide, benzoyl 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048549	1-Hydroxy-2,6-humuladien-15-al; 15-Carboxylic acid, 6?,10?-epoxide, benzoyl 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048550	11,15-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 3?-Acetoxy 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048551	11,17,21-Trihydroxy-16-methylenepregna-4,6-diene-3,20-dione 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048552	14-Hydroxy-15-oxo-3,5(10),11-cyathatrien-17-oic acid; 14?-form, Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048553	14-Nor-7-protoilludene-5,6-diol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048554	15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-18,19-olide, Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048555	15,16-Epoxy-19-hydroxy-1,3,13(16),14-clerodatetraen-18-oic acid; ent-form, Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048556	16-Hydroxy-7-oxo-5-kauren-19,6-olide, Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048557	17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione; 16?-form 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048558	18-Hydroxy-19-oxo-1(9),6,13-xenicatrien-17,18-olide; 12,15-Didehydro, Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048559	19-Acetoxyseconidoresedaic acid 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048560	2,3',4',5-Tetrahydroxy-7,7'-epoxylignan, Tetra-Me ether 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048561	2,4-Dihydroxy-6-pentylbenzoic acid; 3-Methoxy-5-propylphenyl ester 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048562	2,4-Dihydroxy-6-propylbenzoic acid; 4-Me ether, 3-hydroxy-5-pentylphenyl ester 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048563	3,3',4,4'-Tetramethoxy-7,7'-epoxylignan 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048564	3,4-Bis(3,4-dimethoxybenzyl)tetrahydrofuran 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048565	3-(10-Hydroxygeranyl)-p-coumaric acid, 4-Me ether, 10'-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048566	3-(4-Hydroxygeranyl)-p-coumaric acid, 4-Me ether, 4'-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048567	4,6-Dihydroxy-7-daucen-9-one, 6-(4-Hydroxybenzoyl) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048568	4,6-Dihydroxy-8-daucen-10-one, 6-(4-Hydroxybenzoyl) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048569	4,6-Dihydroxy-8-daucen-2-one, 6-(4-Hydroxybenzoyl) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048570	6,7-Dihydroxy-17-vouacapanoic acid, 17?7 Lactone, 6-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048571	7,14-Dihydroxy-1,16-kauradiene-3,15-dione, 14-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048572	7,14-Dihydroxy-1,16-kauradiene-3,15-dione, 7-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048573	8-Daucene-4,6,14-triol, 14-Aldehyde, 6-(4-hydroxybenzoyl) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048574	9,20-Dihydroxy-1,6,14-rhamnofolatriene-3,13-dione, 20-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048575	Brialmontin 2; Me ether 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048576	Cadlinolide B; 11,12,13,14-Tetradehydro, Ac (16?-) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048577	Calanolide A; 10,11-Diepimer, 7,8-dihydro 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048578	Clavulolactone II 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048579	Crinipellin A; 9-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048580	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(3-Carboxypropanoyl) 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048581	Flabellata secoclerodane 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048582	Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-butenoyl), 3-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048583	Furanoeremophil-1(10)-ene-3,6-diol, 6-Angeloyl, 3-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048584	Furanoeremophil-1(10)-ene-3,6-diol, 6-Tigloyl, 3-Ac 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048585	Hancinol 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048586	Isomammein 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048587	Lancifolin A; 4-Me ether 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048588	Lancifolin A; Enantiomer, Me ether 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048589	Lomatin, O-Octanoyl 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048590	Malabaricone A; 3'-Methoxy, 4'-hydroxy 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048591	Mammea B/AB 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048592	Mammea B/BA 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048593	Neomammein 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048594	Prednylidene 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048595	Pyrethrin II 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048596	Recedensolide 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048597	Tridachiapyrone E; 9,10?-Dihydro, 9-oxo 	C22H28O5	372.193674	NA	MeJP	NA	NA
+MJ048598	Turriculoic acid D 	C22H28O5	372.193674	NA	MeJP	NA	NA
+C09894	Pyrethrin II	C22H28O5	372.1937	NA	KEGG	NA	NA
+C10879	Saucernetin	C22H28O5	372.1937	NA	KEGG	NA	NA
+C10892	(+)-Veraguensin	C22H28O5	372.1937	NA	KEGG	NA	NA
+MJ048599	4-Thiaprostacyclin-1 	C19H32O5S	372.197044	NA	MeJP	NA	NA
+MJ048600	Alcaligin; 8,18-Dideoxy 	C16H28N4O6	372.200884	NA	MeJP	NA	NA
+C03326	(Ac)2-L-Lys-D-Ala-D-Ala	C16H28N4O6	372.2009	NA	KEGG	NA	NA
+PJ000617	PKE 	C16H28N4O6	372.2009	NA	PeJP	NA	NA
+MJ048601	20-Hydroxycylindrocarine 	C21H28N2O4	372.204907	NA	MeJP	NA	NA
+MJ048602	3,4-Diethoxy-N-[4-[2-(methylamino)ethoxy]benzyl]benzamide 	C21H28N2O4	372.204907	NA	MeJP	NA	NA
+MJ048603	Rhyncophylline, 7-Epimer, demethoxy, 16,17-dihydro, N-oxide 	C21H28N2O4	372.204907	NA	MeJP	NA	NA
+MJ048604	Spegazzinine; 16-Hydroxy 	C21H28N2O4	372.204907	NA	MeJP	NA	NA
+MJ048605	7-Chloro-10,11-epoxy-4(16)-dolabellene-8,17,18-triol 	C20H33ClO4	372.206737	NA	MeJP	NA	NA
+PJ000618	PTR 	C15H28N6O5	372.2121	NA	PeJP	NA	NA
+MJ048606	2-Hydroxy-5-megastigmen-9-one, O-?-D-Glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048607	4,7-Megastigmadiene-3,9-diol, 9-O-?-D-Glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048608	5-Megastigmene-3,9-diol, 9-Ketone, 3-O-?-D-glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048609	7-Megastigmene-3,9-diol, 9-Ketone, 3-O-?-D-glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048610	9-Hydroxy-4-megastigmen-3-one, O-?-D-Glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048611	9-Hydroxy-5-megastigmen-4-one, 9-O-?-D-Glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048612	9-Hydroxy-7-megastigmen-3-one; O-?-D-Glucopyranoside 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048613	Myriaporone 3 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048614	Myriaporone 4 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048615	Picrionoside B; 9-Ketone 	C19H32O7	372.214803	NA	MeJP	NA	NA
+MJ048616	Kalihinene; 1-Epimer, 15-isothiocyanate 	C22H32N2OS	372.223534	NA	MeJP	NA	NA
+MJ048617	Antibiotic TMC 96 	C18H32N2O6	372.226036	NA	MeJP	NA	NA
+MJ048618	Bengamide Z; 6-Deoxy 	C18H32N2O6	372.226036	NA	MeJP	NA	NA
+MJ048619	3-Hydroxy-3-(trifluoromethyl)-19-norpregnan-20-one 	C21H31F3O2	372.227614	NA	MeJP	NA	NA
+MJ048620	1,4-Epoxy-6-eudesmanol, 6-(4-Methoxybenzoyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048621	1-(2,4-Dihydroxyphenyl)-2-hydroxy-5,9,13-trimethyl-4,8,12-tetradecatrien-1-one 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048622	11,12-Dihydroxy-6,8,11,13-abietatetraen-20-oic acid; Di-Me ether, Me ester 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048623	14,15-Epoxy-3-hydroxycard-20(22)-enolide 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048624	17-Hydroxypregn-4-ene-3,20-dione, Ac 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048625	2',4',6'-Trihydroxyacetophenone; 4'-O-(3,7,11-Trimethyl-2,6,10-dodecatrienyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048626	2,4,6-Trihydroxy-3-prenylacetophenone; 2-O-(2,7-Dimethyl-2,6-octadienyl)(E-) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048627	2,4,6-Trihydroxy-3-prenylacetophenone; 4-O-(3,7-Dimethyl-2,6-octadienyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048628	2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone; 8',9',11',12',14',15'-Hexadehydro(all-Z), 5-Et ether 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048629	2-(3,7-Dimethyl-2,6-octadienyl)-6-(3-methyl-2-butenyl)-1,3,5-benzenetriol, 1-Ac 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048630	20-Hydroxypregn-4-ene-3,16-dione, Ac 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048631	21-Hydroxypregn-4-ene-3,20-dione; Ac 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048632	3'-Farnesyl-2',4',6'-trihydroxyacetophenone 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048633	3,14-Dihydroxycarda-16,20(22)-dienolide 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048634	3,14-Dihydroxycarda-4,20(22)-dienolide 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048635	3,14-Dihydroxycarda-5,20(22)-dienolide 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048636	3,15-Dihydroxycarda-16,20(22)-dienolide 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048637	3,6-Dihydroxy-2-(1-oxo-11-phenylundecyl)-3-cyclohexen-1-one 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048638	3-Eudesmene-1,6-diol, 6-(4-Methoxybenzoyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048639	4-Hydroxy-2-(11-phenylundecanoyl)-1,3-cyclohexanedione 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048640	6,7-Epoxy-2-humulen-1-ol, (4-Methoxybenzoyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048641	6-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)-1,2,4-benzenetriol; 4-Ac 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048642	7,10-Epoxy-4-germacren-6-ol, O-(4-Methoxybenzoyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048643	7-Drimene-6,9,11-triol, 11-Aldehyde, 6-O-(2,4,6-octatrienoyl)(E,E,E-) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048644	8,11,13-Abietatrien-19-ol; 19-(Carboxyacetyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048645	8,11,13-Abietatrien-2-ol; 2?-form, Malonoyl ester 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048646	8,14-Epoxy-3-hydroxycard-20(22)-enolide 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048647	8-Daucene-4,6-diol, 6-(4-Methoxybenzoyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048648	8-Daucene-5,10-diol, 10-(4-Methoxybenzoyl) 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048649	Ascochlorin; 4',5'-Dihydro, dechloro 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048650	Asperugin C 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048651	Avarol; 6'-Acetoxy 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048652	Avarol; 6'-Hydroxy, 5'-Ac 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048653	Grifolic acid 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048654	Hongoquercin B; Deacetoxy 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048655	Hyrtiophenol; 18-Hydroxy 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048656	Hyrtiophenol; 5-Epimer, 18-hydroxy 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048657	Isospongiaquinone; 5-Epimer, 3'-O-de-Me, 3'-O-Et 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048658	Metachromin B 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048659	Norgestomet 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048660	Oleagenin 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048661	Pelorol 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048662	Plakinic acid A 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048663	Polycerasoidol; Me ether 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048664	Prorenoate 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048665	Scutigeral 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048666	Siphonodictyoic acid; Me ester 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048667	Smenorthoquinone 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048668	Stachybotral 	C23H32O4	372.230059	NA	MeJP	NA	NA
+MJ048669	Stachybotrydial; 7'-Deoxo 	C23H32O4	372.230059	NA	MeJP	NA	NA
+C14554	Deoxycorticosterone acetate	C23H32O4	372.2301	NA	KEGG	NA	NA
+C14635	16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate	C23H32O4	372.2301	NA	KEGG	NA	NA
+C15333	3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate	C23H32O4	372.2301	NA	KEGG	NA	NA
+MJ048670	Aspergillus oryzae Cysteine protease inhibitors; CPI 4 	C17H32N4O5	372.23727	NA	MeJP	NA	NA
+PJ000619	LLQ 	C17H32N4O5	372.2373	NA	PeJP	NA	NA
+MJ048671	Mociprazine 	C22H32N2O3	372.241292	NA	MeJP	NA	NA
+MJ048672	Racemulosine 	C22H32N2O3	372.241292	NA	MeJP	NA	NA
+PJ000620	VVR 	C16H32N6O4	372.2485	NA	PeJP	NA	NA
+MJ048673	1,2,3-Heptadecanetricarboxylic acid 	C20H36O6	372.251188	NA	MeJP	NA	NA
+MJ048674	14-Hydroxy-12,13-dihydrosesquiterpineol; 14-O-Xylopyranoside 	C20H36O6	372.251188	NA	MeJP	NA	NA
+MJ048675	5,6-Dihydroxyhexadecanoic acid, Di-Ac 	C20H36O6	372.251188	NA	MeJP	NA	NA
+MJ048676	9,11,15,19-Tetrahydroxy-13-prostenoic acid 	C20H36O6	372.251188	NA	MeJP	NA	NA
+C11989	8,8a-Deoxyoleandolide	C20H36O6	372.2512	NA	KEGG	NA	NA
+3361	ACE inhibitor from sardine	LKL	372.262	celiac toxic	Inhouse_peptide	NA	peptide
+8107	peptide derived from dried bonito	IKL	372.262	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ048677	Lipoxamycin 	C19H36N2O5	372.262422	NA	MeJP	NA	NA
+CJpos0779	Cholic acid [(M+H)-2(H2O)]+	C24H37O3	372.265875	C18rt(min)=9.25 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0779	Cholic acid [(M+H)-2(H2O)]+	C24H37O3	372.265875	C18rt(min)=9.25 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C15057	3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate	C24H36O3	372.2664	NA	KEGG	NA	NA
+MJ048678	16-Hydroxy-22,23,24,25,26,27-hexanorcycloartane-3,20-dione 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048679	17-Hydroxyestr-4-en-3-one; 17?-form, Hexanoyl 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048680	2-Heptadecyl-6-hydroxybenzoic acid; 8',9',11',12'-Tetradehydro(Z,Z-) 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048681	3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048682	4,8-Dihydro-7-methoxy-6,6',6',8,8-pentamethyl-4-(1-methylethyl)spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptan]-5(3H)-one 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048683	5-Hydroxy-2-pentadecyl-4H-1-benzopyran-4-one 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048684	Anagestone; 17-Ac 	C24H36O3	372.266445	NA	MeJP	NA	NA
+MJ048685	Nabilone 	C24H36O3	372.266445	NA	MeJP	NA	NA
+HMDB13627	Cervonoyl ethanolamide	C24H36O3	372.266449	NA	HMDB2010	NA	NA
+PJ000621	LLK 	C18H36N4O4	372.2737	NA	PeJP	NA	NA
+MJ048686	Finasteride 	C23H36N2O2	372.277678	NA	MeJP	NA	NA
+HMDB01984	Finasteride	C23H36N2O2	372.277679	NA	HMDB2010	NA	NA
+HMDB01984	Finasteride	C23H36N2O2	372.27768	http://www.hmdb.ca/metabolites/HMDB01984	HMDB	NA	NA
+HMDB01984	Finasteride	C23H36N2O2	372.27768	HMDB01984	PFEM_hmdb_metabocards_official	NA	NA
+MJ048687	1-Phenyl-1,3-nonadecanedione 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048688	19-Nor-15-prenyl-8,13,15-labdatrien-18-oic acid; Me ester 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048689	2,4,16-Pentacosatriyne-1,6-diol 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048690	2,7,18-Ophiobolatriene-20,24-diol 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048691	3(20),7,18-Ophiobolatrien-24-ol, 7?,8?-Epoxide 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048692	3-Hydroxy-23,24,25,26,27-pentanorcucurbit-5-en-22-al 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048693	Campnospermonol 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048694	Dysideapalaunic acid 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048695	Igernellin 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048696	Variculanol 	C25H40O2	372.30283	NA	MeJP	NA	NA
+MJ048697	Conessine; 7?-Hydroxy 	C24H40N2O	372.314063	NA	MeJP	NA	NA
+MJ048698	Holarrhenine 	C24H40N2O	372.314063	NA	MeJP	NA	NA
+MJ048699	Malouphyllamine 	C24H40N2O	372.314063	NA	MeJP	NA	NA
+MJ048700	Pubescimine 	C24H40N2O	372.314063	NA	MeJP	NA	NA
+MJ048701	Stellettamide B 	C24H41N2O(+)	372.314063	NA	MeJP	NA	NA
+MJ048702	2,3-Dihydroxydocosanoic acid 	C22H44O4	372.323959	NA	MeJP	NA	NA
+MJ048703	Antibiotic AKD 2; Antibiotic AKD 2B1 	C22H44O4	372.323959	NA	MeJP	NA	NA
+MJ048704	Antibiotic AKD 2; Antibiotic AKD 2B2 	C22H44O4	372.323959	NA	MeJP	NA	NA
+C15292	A-Nor-5alpha-cholestan-2-one	C26H44O	372.3392	NA	KEGG	NA	NA
+C15378	B-Norcholesterol	C26H44O	372.3392	NA	KEGG	NA	NA
+MJ048705	19-Norcholest-5-en-3-ol 	C26H44O	372.339216	NA	MeJP	NA	NA
+MJ048706	19-Norcholestan-3-ol, 22,23-Didehydro 	C26H44O	372.339216	NA	MeJP	NA	NA
+MJ048707	26,27-Dinorergost-22-en-3-ol 	C26H44O	372.339216	NA	MeJP	NA	NA
+C10813	Kurchessine	C25H44N2	372.3504	NA	KEGG	NA	NA
+MJ048708	Pregn-5-ene-3,20-diamine, N3,N3,N20,N20-Tetra-Me 	C25H44N2	372.350449	NA	MeJP	NA	NA
+MJ048709	1,3,5,18-Heptacosatetraene 	C27H48	372.375601	NA	MeJP	NA	NA
+MJ048710	Diacholestane 	C27H48	372.375601	NA	MeJP	NA	NA
+MJ048711	Secohopane IV 	C27H48	372.375601	NA	MeJP	NA	NA
+MJ048712	Homohexamine 	C20H48N6	372.394045	NA	MeJP	NA	NA
+MJ048713	Homopentamine; N10-(4-Aminobutyl) 	C20H48N6	372.394045	NA	MeJP	NA	NA
+MJ048714	Homopentamine; N5-(4-Aminobutyl) 	C20H48N6	372.394045	NA	MeJP	NA	NA
+MJ048715	Homospermine; N5,N10-Bis(4-aminobutyl) 	C20H48N6	372.394045	NA	MeJP	NA	NA
+3321	NA	KIPYIL	372.7305	MH2+	Inhouse_peptide	NA	peptide
+MJ048716	4-(3-Indolylmethyl)-7-(2-methylpropyl)-1,2,3,5,6-pentathiepane 	C15H19NS5	373.012103	NA	MeJP	NA	NA
+MJ048717	Keronopsin B1 	C18H16BrNO3	373.031356	NA	MeJP	NA	NA
+MJ048718	(Thiocyanato-S)(triethylphosphine)gold 	C7H15AuNPS	373.032833	NA	MeJP	NA	NA
+MJ048719	Reclazepam 	C18H13Cl2N3O2	373.038482	NA	MeJP	NA	NA
+MJ048720	Irazepine 	C18H13ClFN3OS	373.045188	NA	MeJP	NA	NA
+C08415	Gluconapin	C11H19NO9S2	373.0501	NA	KEGG	NA	NA
+MJ048721	3-Butenyl glycosinolate 	C11H19NO9S2	373.050122	NA	MeJP	NA	NA
+MJ048722	Arcyroxocin A; N6,2-Dihydroxy 	C20H11N3O5	373.06987	NA	MeJP	NA	NA
+MJ048723	Galosemide 	C15H14F3N3O3S	373.070796	NA	MeJP	NA	NA
+MJ048724	Serfibrate 	C16H20ClNO5S	373.075071	NA	MeJP	NA	NA
+C16698	N-Acetylmuramic acid 6-phosphate	C11H20NO11P	373.0774	NA	KEGG	NA	NA
+C15551	CV 2961	C16H17ClN3O4	373.0805	NA	KEGG	NA	NA
+MJ048725	Cephalosporin C; O-De-Ac 	C14H19N3O7S	373.09437	NA	MeJP	NA	NA
+MJ048726	Deacetylcephalosporin C 	C14H19N3O7S	373.09437	NA	MeJP	NA	NA
+MetaCyc03247	deacetylcephalosporin-C []	C14H19N3O7S1	373.094371	1476-46-6	metacyc	NA	NA
+C03112	Deacetylcephalosporin C	C14H19N3O7S	373.0944	NA	KEGG	NA	NA
+MJ048727	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Hydroxy, O7-Me, 2-O-?-D-glucopyranoside 	C15H19NO10	373.100895	NA	MeJP	NA	NA
+MetaCyc03248	DIMBOA-Glc [DIMBOA-glucoside;2-(2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one)-&beta;-D-glucopyranose;]	C15H19N1O10	373.100896	NA	metacyc	NA	NA
+MetaCyc03249	2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one2-D-glucoside []	C15H19N1O10	373.100896	NA	metacyc	NA	NA
+C04831	DIMBOA-glucoside	C15H19NO10	373.1009	NA	KEGG	NA	NA
+C15768	(2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-	C15H19NO10	373.1009	NA	KEGG	NA	NA
+MJ048728	3,4-Dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-1(2H)-quinoxalinepentanoic acid 	C16H15N5O6	373.102233	NA	MeJP	NA	NA
+PJ000622	CDH 	C13H19N5O6S	373.1056	NA	PeJP	NA	NA
+MJ048729	1-[(4-Chlorophenyl)methyl]-5-fluoro-?,?,3-trimethyl-1H-indole-2-propanoic acid 	C21H21ClFNO2	373.124484	NA	MeJP	NA	NA
+C07403	Prochlorperazine	C20H24ClN3S	373.1379	NA	KEGG	NA	NA
+MJ048730	Prochlorperazine 	C20H24ClN3S	373.137946	NA	MeJP	NA	NA
+MJ048731	Adenosine; 6N-(2-Hydroxybenzyl) 	C17H19N5O5	373.138618	NA	MeJP	NA	NA
+MJ048732	Adenosine; 6N-(3-Hydroxybenzyl) 	C17H19N5O5	373.138618	NA	MeJP	NA	NA
+PJ000623	SMH 	C14H23N5O5S	373.142	NA	PeJP	NA	NA
+MJ048733	Angustoline, O-Ac 	C22H19N3O3	373.142641	NA	MeJP	NA	NA
+MJ048734	Cystodytins; Cystodytin A, 1'-Hydroxy 	C22H19N3O3	373.142641	NA	MeJP	NA	NA
+MJ048735	Cystodytins; Cystodytin B, 1'-Hydroxy 	C22H19N3O3	373.142641	NA	MeJP	NA	NA
+PJ000624	PEE 	C15H23N3O8	373.1485	NA	PeJP	NA	NA
+C12171	1,2-O-Diacetylzephyranthine	C20H23NO6	373.1525	NA	KEGG	NA	NA
+MJ048736	Aknadinine, 16-Oxo 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048737	Ambelline; Ac 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048738	Bendacalol 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048739	Bowdensine; 1-Epimer, demethoxy 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048740	Bujeine 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048741	Clivonine, O-Propanoyl 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048742	Colchibiphenyline 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048743	Dihydrolycorine; Di-Ac 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048744	Lycorine, O2-(1-Hydroxyethyl), 1-Ac 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048745	Narzettine 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048746	Poeticine 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048747	Prometaphanine; 16-Oxo 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048748	Pseudoronine 	C20H23NO6	373.152537	NA	MeJP	NA	NA
+MJ048749	Sepimostat 	C21H19N5O2	373.153874	NA	MeJP	NA	NA
+MJ048750	Clebopride 	C20H24ClN3O2	373.155704	NA	MeJP	NA	NA
+PJ000625	GSPN 	C14H23N5O7	373.1598	NA	PeJP	NA	NA
+PJ000626	AHF 	C18H23N5O4	373.175	NA	PeJP	NA	NA
+MJ048751	N6-D-Biotinyl-L-lysine 	C15H27N5O4S	373.178375	NA	MeJP	NA	NA
+MJ048752	Aszonalenin 	C23H23N3O2	373.179026	NA	MeJP	NA	NA
+MJ048753	Antibiotic AM 4299B 	C16H27N3O7	373.1849	NA	MeJP	NA	NA
+C09459	Hasubanonine	C21H27NO5	373.1889	NA	KEGG	NA	NA
+C16707	(S)-Autumnaline	C21H27NO5	373.1889	NA	KEGG	NA	NA
+MJ048754	2-Hydroxyisotaxodine; O17-Me, O16-de-Me, O2-Ac 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048755	2-Hydroxyisotaxodine; O2-Ac 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048756	Alkaloid CC-2 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048757	Autumnaline 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048758	Cryptostyline III 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048759	Dyshomerythrine; 2?-Methoxy 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048760	Erromangine 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048761	Hasubanonine 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048762	Isostephodeline 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048763	Kreysiginine 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048764	Runanine 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048765	Sanguinine; O6-Me, O3-(R-3-hydroxybutanoyl) 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048766	Tannagine 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+MJ048767	Tyrosine, N-Jasmonoyl 	C21H27NO5	373.188922	NA	MeJP	NA	NA
+3510	ACE inhibitor (b-CN 193-198)	YQQPVL	373.1915	MH2+	Inhouse_peptide	NA	peptide
+PJ000627	VQQ 	C15H27N5O6	373.1961	NA	PeJP	NA	NA
+PJ000628	GGLQ 	C15H27N5O6	373.1962	NA	PeJP	NA	NA
+MJ048768	10,13-Dihydroxylupanine; O13-(2-Pyrrolecarboxylate) 	C20H27N3O4	373.200156	NA	MeJP	NA	NA
+MJ048769	4,13-Dihydroxylupanine, O13-(2-Pyrrolecarboxylate) 	C20H27N3O4	373.200156	NA	MeJP	NA	NA
+MJ048770	Calpurmenine; O13-2-Pyrrolecarboxylate 	C20H27N3O4	373.200156	NA	MeJP	NA	NA
+MJ048771	4-[2-[3-(Cyclopentyloxy)-4-methoxyphenyl]-2-phenylethyl]pyridine 	C25H27NO2	373.204179	NA	MeJP	NA	NA
+C16547	4-Hydroxy-N-desmethyltamoxifen	C25H27NO2	373.2042	NA	KEGG	NA	NA
+C16549	alpha-Hydroxy-N-desmethyltamoxifen	C25H27NO2	373.2042	NA	KEGG	NA	NA
+MJ048772	?-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol 	C22H28FNO3	373.205321	NA	MeJP	NA	NA
+PJ000629	AQR 	C14H27N7O5	373.2074	NA	PeJP	NA	NA
+3500	ACE inhibitor from as1-casein	YKVPQL	373.2095	MH2+	Inhouse_peptide	NA	peptide
+3346	ACE inhibitor	IKPLNY	373.20995	MH2+	Inhouse_peptide	NA	peptide
+MJ048773	Bunazosin 	C19H27N5O3	373.211389	NA	MeJP	NA	NA
+MJ048774	Pseudoargiopinin; Pseudoargiopinin III 	C19H27N5O3	373.211389	NA	MeJP	NA	NA
+7654	ACE inhibitor from wakame	NKL	373.2209	antioxidative	Inhouse_peptide	NA	peptide
+PJ000630	LLE 	C17H31N3O6	373.2213	NA	PeJP	NA	NA
+MJ048775	Equisetin 	C22H31NO4	373.225308	NA	MeJP	NA	NA
+MJ048776	Fedotozine 	C22H31NO4	373.225308	NA	MeJP	NA	NA
+MJ048777	Polysignine; 3'-Methoxy 	C22H31NO4	373.225308	NA	MeJP	NA	NA
+MJ048778	Songorine; N-Oxide 	C22H31NO4	373.225308	NA	MeJP	NA	NA
+MJ048779	Spiramine S; O-De-Ac 	C22H31NO4	373.225308	NA	MeJP	NA	NA
+MJ048780	Spirasine VII 	C22H31NO4	373.225308	NA	MeJP	NA	NA
+PJ000631	VQK 	C16H31N5O5	373.2325	NA	PeJP	NA	NA
+C15370	Androsta-5,16-dieno[17,16-b]quinolin-3beta-ol	C26H31NO	373.2406	NA	KEGG	NA	NA
+PJ000632	AKR 	C15H31N7O4	373.2438	NA	PeJP	NA	NA
+C11689	Curacin A	C23H35NOS	373.2439	NA	KEGG	NA	NA
+MJ048781	Curacin A 	C23H35NOS	373.243935	NA	MeJP	NA	NA
+HMDB13327	Dodecanedioylcarnitine	C19H35NO6	373.246429	NA	HMDB2010	NA	NA
+MJ048782	Corumdizine 	C23H35NO3	373.261693	NA	MeJP	NA	NA
+MJ048783	Lanitine 	C23H35NO3	373.261693	NA	MeJP	NA	NA
+MJ048784	Lepenine; O1-Me 	C23H35NO3	373.261693	NA	MeJP	NA	NA
+MJ048785	Myxalamides; Myxalamide D 	C23H35NO3	373.261693	NA	MeJP	NA	NA
+MJ048786	Napelline; 12-Epimer, 1-Me ether 	C23H35NO3	373.261693	NA	MeJP	NA	NA
+MJ048787	Paravallarine; 16?-Hydroxy, N-Me 	C23H35NO3	373.261693	NA	MeJP	NA	NA
+C12161	Myxalamid D	C23H35NO3	373.2617	NA	KEGG	NA	NA
+PJ000633	VKK 	C17H35N5O4	373.2689	NA	PeJP	NA	NA
+CJpos0780	Cholic acid [(M+H)-2(H2O)]+ (13C)	C2313CH37O3	373.269275	C18rt(min)=9.25 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0780	Cholic acid [(M+H)-2(H2O)]+ (13C)	C2313CH37O3	373.269275	C18rt(min)=9.25 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ048788	Transcainide 	C22H35N3O2	373.272927	NA	MeJP	NA	NA
+MJ048789	2-Phenylethylamine; N-(9-Oxohexadecanoyl) 	C24H39NO2	373.298079	NA	MeJP	NA	NA
+MJ048790	2,4,16-Eicosatrienoic acid, Piperidide 	C25H43NO	373.334465	NA	MeJP	NA	NA
+3511	ACE inhibitor (b-CN 108-113)	EMPFPK	373.6742	MH2+	Inhouse_peptide	NA	peptide
+7502	ACE inhibitor from b-CN	EMPFPK	373.6742	MH2+	Inhouse_peptide	NA	peptide
+3127	exorphin from bovine alpha-S1-casein fr:194-199	TTMPLW	373.6747	MH2+	Inhouse_peptide	NA	peptide
+3530	ACE inhibitor (fr, of as1-casein, 194-199)	TTMPLW	373.6747	MH2+	Inhouse_peptide	NA	peptide
+8172	peptide derived from bovine aS1-casein (194-199)	TTMPLW	373.6747	MH2+	Inhouse_peptide	NA	peptide
+7662	ACE inhibitor from b-CN (193-198)	YQEPVL	373.6835	MH2+	Inhouse_peptide	NA	peptide
+7818	ACE inhibitor from mushroom Tricholoma giganteum	VIEKYP	373.7015	MH2+	Inhouse_peptide	NA	peptide
+3365	ACE inhibitor	FQKVVAG	373.707	MH2+	Inhouse_peptide	NA	peptide
+27	Hemoglobin	FQKVVAG	373.7085	MH2+	Inhouse_peptide	NA	peptide
+MJ048791	2,3,6-Tribromo-4,5-dihydroxybenzyl alcohol 	C7H5Br3O3	373.778881	NA	MeJP	NA	NA
+C14197	2,2',3,3',6,6'-Hexachloro-4-biphenylol	C12H4Cl6O	373.8393	NA	KEGG	NA	NA
+C14198	2,2'3,4',6,6'-Hexachloro-4-biphenylol	C12H4Cl6O	373.8393	NA	KEGG	NA	NA
+C14203	2,2',3,3',5,5'-Hexachloro-6-biphenylol	C12H4Cl6O	373.8393	NA	KEGG	NA	NA
+C14728	2,2',3,3',4',5-Hexachloro-4-biphenylol	C12H4Cl6O	373.8393	NA	KEGG	NA	NA
+C14730	2,2',3,4',5,5'-Hexachloro-4-biphenylol	C12H4Cl6O	373.8393	NA	KEGG	NA	NA
+MJ048792	2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; 3-Me ether 	C15H9Cl3O5	373.951556	NA	MeJP	NA	NA
+MJ048793	2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; 6-Me ether 	C15H9Cl3O5	373.951556	NA	MeJP	NA	NA
+MJ048794	2,4,5-Trichloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether 	C15H9Cl3O5	373.951556	NA	MeJP	NA	NA
+MJ048795	2,4,7-Trichloro-3,6,8-trihydroxy-1-methylxanthone; 6-Me ether 	C15H9Cl3O5	373.951556	NA	MeJP	NA	NA
+C12347	Deoxyribose triphosphate	C5H13O13P3	373.9569	NA	KEGG	NA	NA
+C12348	3,5,7,9,11,13,15-Heptaoxo-hexadecanoyl-[acp]	C16H17O8SR	373.9569	NA	KEGG	NA	NA
+C12349	3,5,7,9,11,13,15-Heptaoxo-heptadecanoyl-[acp]	C17H19O8SR	373.9569	NA	KEGG	NA	NA
+C12350	3,5,7,9,11,13,15-Heptaoxo-octadecanoyl-[acp]	C18H21O8SR	373.9569	NA	KEGG	NA	NA
+C12351	3,5,7,9,11,13,15,17-Octaoxo-octadecanoyl-[acp]	C18H19O9SR	373.9569	NA	KEGG	NA	NA
+C12352	3,5,7,9,11,13,15,17-Octaoxo-nonadecanoyl-[acp]	C19H21O9SR	373.9569	NA	KEGG	NA	NA
+C12353	3,5,7,9,11,13,15,17-Octaoxo-eicosanoyl-[acp]	C20H23O9SR	373.9569	NA	KEGG	NA	NA
+C12354	3,5,7,9,11,13,15,17,19-Nonaoxo-eicosanoyl-[acp]	C20H21O10SR	373.9569	NA	KEGG	NA	NA
+C12355	3,5,7,9,11,13,15,17,19-Nonaoxo-henicosanoyl-[acp]	C21H23O10SR	373.9569	NA	KEGG	NA	NA
+C12356	3,5,7,9,11,13,15,17,19-Nonaoxo-docosanoyl-[acp]	C22H25O10SR	373.9569	NA	KEGG	NA	NA
+C12357	3,5,7,11,13,15-Heptaoxo-9-hydroxy-hexadecanoyl-[acp]	C16H19O8SR	373.9569	NA	KEGG	NA	NA
+C12358	3,5,7,11,13,15-Heptaoxo-9-hydroxy-heptadecanoyl-[acp]	C17H21O8SR	373.9569	NA	KEGG	NA	NA
+C12359	3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]	C18H23O8SR	373.9569	NA	KEGG	NA	NA
+C12360	9-Hydroxy-3,5,7,11,13,15,17-octaoxo-octadecanoyl-[acp]	C18H21O9SR	373.9569	NA	KEGG	NA	NA
+C12361	9-Hydroxy-3,5,7,11,13,15,17-octaoxo-nonadecanoyl-[acp]	C19H23O9SR	373.9569	NA	KEGG	NA	NA
+C12362	9-Hydroxy-3,5,7,11,13,15,17-octaoxo-eicosanoyl-[acp]	C20H25O9SR	373.9569	NA	KEGG	NA	NA
+C12363	9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-eicosanoyl-[acp]	C20H23O10SR	373.9569	NA	KEGG	NA	NA
+C12364	9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-henicosanoyl-[acp]	C21H25O10SR	373.9569	NA	KEGG	NA	NA
+C12365	9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]	C22H27O10SR	373.9569	NA	KEGG	NA	NA
+MetaCyc03250	deoxyribose triphosphate []	C5H13O13P3	373.9569	NA	metacyc	NA	NA
+MJ048796	10,15-Dibromo-1,3(15),7(14)-chamigratrien-9-ol 	C15H20Br2O	373.98809	NA	MeJP	NA	NA
+MJ048797	Bromhexine 	C14H20Br2N2	373.999323	NA	MeJP	NA	NA
+MJ048798	Ethylenediaminetetraacetic acid; Di-Na mono-Ca salt 	C10H12CaN2Na2O8	374.001495	NA	MeJP	NA	NA
+MJ048799	Austocystin G 	C18H11ClO7	374.01933	NA	MeJP	NA	NA
+MJ048800	Gavestinel 	C18H12Cl2N2O3	374.022497	NA	MeJP	NA	NA
+FL5FFCNS0026	Gossypetin 7-methyl ether 8-acetate	C18H14O9	374.06378	62071-01-6	knapsack	NA	NA
+FL5FGCNS0021	Melinervin	C18H14O9	374.06378	52329-54-1	knapsack	NA	NA
+MJ048801	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 6,8-di-Me ether 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048802	Fucophlorethol A 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048803	Fucophlorethol B 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048804	Fucophlorethol C 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048805	Menegazziaic acid 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048806	Protocetraric acid 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048807	Stictic acid; 1''-Alcohol, O-de-Me 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048808	Triphlorethol A 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048809	Triphlorethol B 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048810	Triphlorethol C 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048811	Versiconol; 4'-Carboxylic acid 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048812	Virensic acid; 2-Hydroxy 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048813	[1,1':3',1''-Terphenyl]-2,2',2'',4,4',4'',6,6',6''-nonol 	C18H14O9	374.063782	NA	MeJP	NA	NA
+MJ048814	Antibiotic C4; 5'-Alcohol 	C14H18N2O8S	374.078386	NA	MeJP	NA	NA
+C10332	Diospyrin	C22H14O6	374.079	NA	KEGG	NA	NA
+C10358	Isodiospyrin	C22H14O6	374.079	NA	KEGG	NA	NA
+MJ048815	3,3'-Bi[5-hydroxy-2-methyl-1,4-naphthoquinone] 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048816	Biramentaceone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048817	Chitranone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048818	Diospyrin 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048819	Ehretione 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048820	Elliptinone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048821	Hydroxyisodiospyrin; (R)axial-form, 8-Deoxy 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048822	Isodiospyrin 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048823	Isozeylanone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048824	Mamegakinone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048825	Maritinone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048826	Neodiospyrin 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048827	Rotundiquinone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048828	Zeylanone 	C22H14O6	374.079038	NA	MeJP	NA	NA
+MJ048829	20-Bromo-5,11,15,19-eicosatetraene-9,17-diynoic acid 	C20H23BrO2	374.088142	NA	MeJP	NA	NA
+MJ048830	Dibatod 	C18H18N2O5S	374.093642	NA	MeJP	NA	NA
+FL3FALNS0007	5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone	C19H18O8	374.10016	132923-23-0	knapsack	NA	NA
+FL3FALNS0014	5,4'-Dihydroxy-7,2',3',5'-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	352284-01-6	knapsack	NA	NA
+FL3FALNS0015	5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone;5,7-Dihydroxy-2-(2,3,4,5-tetramethoxyphenyl)-4H-1-benzopyran-4-one	C19H18O8	374.10016	206358-02-3	knapsack	NA	NA
+FL3FEGNS0006	5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	83133-17-9	knapsack	NA	NA
+FL3FEGNS0007	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	111537-41-8	knapsack	NA	NA
+FL3FEGNS0008	Arteanoflavone	C19H18O8	374.10016	68710-17-8	knapsack	NA	NA
+FL3FELNS0003	Tabularin	C19H18O8	374.10016	63591-68-4	knapsack	NA	NA
+FL3FFGNS0004	5,3'-Dihydroxy-7,8,4',5'-tetramethoxyflavone	C19H18O8	374.10016	63529-08-8	knapsack	NA	NA
+FL3FFGNS0005	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone;3',4',5'-Trimethoxywogonin;5,7-Dihydroxy-8-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C19H18O8	374.10016	32348-78-0	knapsack	NA	NA
+FL3FFLNS0002	5,4'-Dihidroxy-7,8,2',3'-tetramethoxyflavone	C19H18O8	374.10016	113963-50-1	knapsack	NA	NA
+FL3FG8NS0001	Skullcapflavone II;Neobaicalein	C19H18O8	374.10016	55084-08-7	knapsack	NA	NA
+FL3FGCNS0008	5,4'-Dihidroxy-6,7,8,3'-tetramethoxyflavone;7-Methylsudachitin;8-Methoxycirsilineol;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	16520-78-8	knapsack	NA	NA
+FL3FGCNS0009	Gardenin D;5,3'-Dihydroxy-6,7,8,4'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	29202-00-4	knapsack	NA	NA
+FL3FGCNS0010	Hymenoxin;5,7-Dihydroxy-6,8,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	56003-01-1	knapsack	NA	NA
+FL3FGCNS0018	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone	C19H18O8	374.10016	-	knapsack	NA	NA
+FL3FGCNS0019	5,6-Dihydroxy-7,8,3',4'-tetramethoxyflavone;Pebrellin;2-(3,4-Dimethoxyphenyl)-5,6-dihydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	13509-93-8	knapsack	NA	NA
+FL4DACNI0004	6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone	C19H18O8	374.10016	220936-65-2	knapsack	NA	NA
+FL4DF8NS0002	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone 2'-acetate	C19H18O8	374.10016	110065-76-4	knapsack	NA	NA
+FL4DF8NS0003	(2R,3R)-5,2'-Dihydroxy-7,8-dimethoxy-3-O-acetylflavanone	C19H18O8	374.10016	364367-60-2	knapsack	NA	NA
+FL5F2LNS0001	6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone	C19H18O8	374.10016	-	knapsack	NA	NA
+FL5FALNS0011	Chrysosplenol G	C19H18O8	374.10016	130252-52-7	knapsack	NA	NA
+FL5FALNS0012	5-O-Methyloxyayanin-A	C19H18O8	374.10016	21722-25-8	knapsack	NA	NA
+FL5FALNS0013	Chrysosplenol E	C19H18O8	374.10016	23289-81-8	knapsack	NA	NA
+FL5FCKNS0002	3,5-Dihydroxy-7,3',4',5'-tetramethoxyflavone;3,5-Dihydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C19H18O8	374.10016	271788-65-9	knapsack	NA	NA
+FL5FDINS0002	Myricetin 3,7,3',5'-tetramethyl ether	C19H18O8	374.10016	74705-43-4	knapsack	NA	NA
+FL5FDJNM0002	6,8-Di-C-methylmyricetin 3,4'-dimethyl ether	C19H18O8	374.10016	69935-15-5	knapsack	NA	NA
+FL5FDKNS0002	Myricetin 3,7,3',4'-tetramethyl ether	C19H18O8	374.10016	14290-57-4	knapsack	NA	NA
+FL5FDKNS0003	Myricetin 3,3',4',5'-tetramethyl ether;5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone;5,7-Dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C19H18O8	374.10016	14585-04-7	knapsack	NA	NA
+FL5FDKNS0006	5,5'-Dihydroxy-3,7,3',4'-tetramethoxyflavone	C19H18O8	374.10016	-	knapsack	NA	NA
+FL5FECNM0001	8-C-Methylquercetagetin 3,6,7-trimethyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one	C19H18O8	374.10016	140899-09-8	knapsack	NA	NA
+FL5FECNM0002	8-C-Methylquercetagetin 3,6,3'-trimethyl ether;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-8-methyl-4H-1-benzopyran-4-one	C19H18O8	374.10016	151649-36-4	knapsack	NA	NA
+FL5FECNS0025	Quercetagetin 3,5,6,3'-tetramethyl ether	C19H18O8	374.10016	58130-92-0	knapsack	NA	NA
+FL5FECNS0026	Quercetagetin 3,5,7,3'-tetramethyl ether	C19H18O8	374.10016	29043-10-5	knapsack	NA	NA
+FL5FECNS0027	Quercetagetin 3,5,7,4'-tetramethyl ether	C19H18O8	374.10016	154662-04-1	knapsack	NA	NA
+FL5FECNS0028	Chrysosplenetin;5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone;Quercetagetin 3,6,7,3'-tetramethyl ether;Polycladin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	603-56-5	knapsack	NA	NA
+FL5FECNS0029	Casticin;3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone;Quercetagetin 3,6,7,4'-tetramethyl ether;Vitexicarpin;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	479-91-4	knapsack	NA	NA
+FL5FECNS0030	Bonanzin;5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone;Quercetagetin 3,6,3',4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	35688-42-7	knapsack	NA	NA
+FL5FECNS0031	Quercetagetin 3,7,3',4'-tetramethyl ether;5,6-Dihydroxy-3,3',4',7-tetramethoxyflavone	C19H18O8	374.10016	63296-15-1	knapsack	NA	NA
+FL5FECNS0032	Eupatoretin	C19H18O8	374.10016	19587-69-0	knapsack	NA	NA
+FL5FECNS0033	Quercetagetin 6,7,3'4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	57296-14-7	knapsack	NA	NA
+FL5FELNS0001	Chrysosplin	C19H18O8	374.10016	28914-17-2	knapsack	NA	NA
+FL5FF8NS0007	5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone	C19H18O8	374.10016	117278-71-4	knapsack	NA	NA
+FL5FFCNS0017	Ternatin;5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone;Gossypetin 3,7,8,3'-tetramethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	571-71-1	knapsack	NA	NA
+FL5FFCNS0018	Gossypetin 3,7,8,4'-tetramethyl ether;5,3'-Dihydroxy-3,7,8,4'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	4670-37-5	knapsack	NA	NA
+FL5FFCNS0019	Gossypetin 3,7,3',4'-tetramethyl ether	C19H18O8	374.10016	7380-44-1	knapsack	NA	NA
+FL5FFCNS0020	Gossypetin 3,8,3',4'-tetramethyl ether	C19H18O8	374.10016	42923-42-2	knapsack	NA	NA
+FL5FFCNS0021	Gossypetin 7,8,3',4'-tetramethyl ether	C19H18O8	374.10016	72620-07-6	knapsack	NA	NA
+FL5FFLNS0002	5,4'-Dihydroxy-3,7,8,2'-tetramethoxyflavone	C19H18O8	374.10016	71787-03-6	knapsack	NA	NA
+FL5FGANS0005	Calycopterin;5,4'-Dihydroxy-3,6,7,8-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C19H18O8	374.10016	481-52-7	knapsack	NA	NA
+FL5FGANS0006	Araneosol;5,7-Dihydroxy-3,4',6,8-tetramethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O8	374.10016	50461-86-4	knapsack	NA	NA
+FL5FGANS0007	Eriostemin	C19H18O8	374.10016	40522-42-7	knapsack	NA	NA
+FL5FGANS0010	3,5-Dihydroxy-6,7,8,4'-tetramethoxyflavone;3,5-Dihydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C19H18O8	374.10016	57393-70-1	knapsack	NA	NA
+FLIAEGNS0002	Junipegenin C;5,7-Dihydroxy-6,3',4',5'-tetramethoxyisoflavone	C19H18O8	374.10016	78134-86-8	knapsack	NA	NA
+FLIAELNS0001	Caviunin;5,7-Dihydroxy-6,2',4',5'-tetramethoxyisoflavone	C19H18O8	374.10016	4935-92-6	knapsack	NA	NA
+FLIAFLNS0001	Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone	C19H18O8	374.10016	4968-78-9	knapsack	NA	NA
+FLIAG8NS0001	5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone	C19H18O8	374.10016	129724-36-3	knapsack	NA	NA
+FLIFHXNS0003	Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone	C19H18O8	374.10016	125164-60-5	knapsack	NA	NA
+MJ048831	1,2,3,5,8-Pentahydroxy-6-hydroxymethylanthraquinone; 1,2,3,5-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048832	2',3',4',5,5',7-Hexahydroxyflavone; 2',3',4',5'-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048833	2',3',4',5,5',7-Hexahydroxyflavone; 2',3',5',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048834	2',3',4',5,5',7-Hexahydroxyflavone; 2',4',5',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048835	2',3',4',5,6,7-Hexahydroxyisoflavone; 2',3',4',6-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048836	2',3',4',5,7,8-Hexahydroxyflavone; 2',3',7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048837	2',3',5,5',6,7-Hexahydroxyflavone; 2',3',6,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048838	2',3',5,6,7,8-Hexahydroxyflavone; 3',6,7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048839	2',3',5,6,7,8-Hexahydroxyisoflavone; 2',6,7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048840	2',3,4',5,5',7-Hexahydroxyflavone; 2',3,4',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048841	2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048842	2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048843	2',3,4',5,6,7-Hexahydroxyflavone; 2',3,6,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048844	2',3,4',5,7,8-Hexahydroxyflavone; 2',3,7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048845	2',3,5,5',6,7-Hexahydroxyflavone; 2',3,5,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048846	2',3,5,5',7,8-Hexahydroxyflavone; 2',3,7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048847	2',3,5,7,8-Pentahydroxyflavanone; 7,8-Di-Me ether, 2'-Ac 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048848	2',4',5,5',6,7-Hexahydroxyflavone; 2',4',5',6-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048849	2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048850	2',4',5,5',7,8-Hexahydroxyisoflavone; 2',4',5',8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048851	2',5,6,6',7,8-Hexahydroxyflavone; 6,6',7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048852	2-Methyl-1,4-naphthalenediol; Bis(3-carboxypropanoyl) 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048853	3',4',5,5',6,7-Hexahydroxyflavone; 3',4',5',6-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048854	3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048855	3',4',5,5',6,7-Hexahydroxyflavone; 4',5',6,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048856	3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',5',6-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048857	3',4',5,5',7,8-Hexahydroxyflavone; 3',4',5',8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048858	3',4',5,5',7,8-Hexahydroxyflavone; 3',5',7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048859	3',4',5,5',7,8-Hexahydroxyflavone; 4',5',7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048860	3',4',5,6,7,8-Hexahydroxyflavone; 3',4',7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048861	3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048862	3',5-Dihydroxy-3,4',7,8-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048863	3',5-Dihydroxy-4',6,7,8-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048864	3,3',4',5,5',7-Hexahydroxy-6,8-dimethylflavone; 3,4'-Di-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048865	3,3',4',5,5',7-Hexahydroxy-8-methylflavone; 3,4',7-Tri-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048866	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4',5'-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048867	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048868	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',5',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048869	3,3',4',5,5',7-Hexahydroxyflavone; 3,4',5',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048870	3,3',4',5,6,7-Hexahydroxy-8-methylflavone; 3,3',6-Tri-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048871	3,3',4',5,6,7-Hexahydroxy-8-methylflavone; 3,6,7-Tri-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048872	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048873	3,3',4',5,6,7-Hexahydroxyflavone; 3,3',4',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048874	3,3',4',5,6,7-Hexahydroxyflavone; 3,3',5,6-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048875	3,3',4',5,6,7-Hexahydroxyflavone; 3,3',5,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048876	3,3',4',5,6,7-Hexahydroxyflavone; 3,4',5,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048877	3,3',4',5,7,8-Hexahydroxyflavone; 3',4',7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048878	3,3',4',5,7,8-Hexahydroxyflavone; 3,3',4',7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048879	3,3',4',5,7,8-Hexahydroxyflavone; 3,3',4',8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048880	3,3',4',5,7-Pentahydroxy-6-(3-oxobutyl)flavanone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048881	3,3',4',5,7-Pentahydroxyflavanone, 3',7-Di-Me ether, 3-Ac 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048882	3,3'-Dihydroxy-4',5,6,7-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048883	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,7-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048884	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048885	3,4',5,6,7,8-Hexahydroxyflavone; 3,5,6,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048886	3,4',5,6,7,8-Hexahydroxyflavone; 3,6,7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048887	3,4',5,6,7,8-Hexahydroxyflavone; 4',6,7,8-Tetra-Me ether 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048888	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl), Me ester 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048889	4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048890	4',5-Dihydroxy-3,3',6,7-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048891	4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048892	5,7-Dihydroxy-3',4',6,8-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048893	5,7-Dihydroxy-3,3',4',6-tetramethoxyflavone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048894	Ariseminone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048895	Atranorin 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048896	Baeomycesic acid 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048897	Boeravinone C; 6?-Methoxy 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048898	Bryebinal 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048899	Clauslactone B; 7'-Deoxy, 6',7'-didehydro, 9'-hydroxy 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048900	Clitoriacetal; 11-Deoxy 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048901	Clitoriacetal; 6-Deoxy 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048902	Comosin 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048903	Dihydrostemonal 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048904	Funicone 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048905	Homotrichione 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048906	Psorospermindiol; 5'-Hydroxy 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048907	Sakyomicin B, 5,6-Dihydro 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048908	Teubrevin E 	C19H18O8	374.100167	NA	MeJP	NA	NA
+MJ048909	Trocholejeunin 	C19H18O8	374.100167	NA	MeJP	NA	NA
+C10030	Chrysosplenetin	C19H18O8	374.1002	NA	KEGG	NA	NA
+C10183	Scullcapflavone II	C19H18O8	374.1002	NA	KEGG	NA	NA
+MJ048910	Malonomicin 	C13H18N4O9	374.107378	NA	MeJP	NA	NA
+HMDB12281	Portulacaxanthin II	C18H18N2O7	374.111389	NA	HMDB2010	NA	NA
+C08565	Portulacaxanthin II	C18H18N2O7	374.1114	NA	KEGG	NA	NA
+MJ048911	2-Amino-3H-phenoxazin-3-one; N-?-D-Glucopyranosyl 	C18H18N2O7	374.1114	NA	MeJP	NA	NA
+MJ048912	Portulacaxanthin II 	C18H18N2O7	374.1114	NA	MeJP	NA	NA
+MJ048913	Alboside A 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048914	Arborescosidic acid 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048915	Asystasioside B; Parent acid, 7?,8?-epoxide 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048916	Eustomoside; 5-Deoxy 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048917	Gardoside 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048918	Gelsemide; 7-?-D-Glucopyranoside 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048919	Geniposidic acid 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048920	Gentioflavoside 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048921	Loganic acid; 7-Ketone 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MJ048922	Swertiamarin 	C16H22O10	374.121296	NA	MeJP	NA	NA
+MetaCyc03251	secologanate []	C16H22O10	374.121297	NA	metacyc	NA	NA
+C01957	Secologanate	C16H22O10	374.1213	NA	KEGG	NA	NA
+C01958	Steryl ester	C18H27O2R	374.1213	NA	KEGG	NA	NA
+C09800	Swertiamarin	C16H22O10	374.1213	NA	KEGG	NA	NA
+C11673	Geniposidic acid	C16H22O10	374.1213	NA	KEGG	NA	NA
+C16963	Gardoside	C16H22O10	374.1213	NA	KEGG	NA	NA
+C11564	N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide	C22H18N2O4	374.1267	NA	KEGG	NA	NA
+MJ048923	Mycosporin-Glu-Gly 	C15H22N2O9	374.13253	NA	MeJP	NA	NA
+MJ048924	N-[(5-Hydroxy-2-pyridinyl)methyl]adenosine 	C16H18N6O5	374.133867	NA	MeJP	NA	NA
+FL1CALNS0003	Rubone	C20H22O7	374.13655	73694-15-2	knapsack	NA	NA
+FL1CDKNS0001	2'-Hydroxy-3,4,5,4',6'-pentamethoxychalcone	C20H22O7	374.13655	53350-27-9	knapsack	NA	NA
+FL1CECNS0001	6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone	C20H22O7	374.13655	65602-54-2	knapsack	NA	NA
+FL1CECNS0004	2'-Hydroxy-3',4',6',3,4-pentamethoxychalcone	C20H22O7	374.13655	63878-51-3	knapsack	NA	NA
+FL2FACNI0010	6-C-(3-Hydroxyisopentyl)eriodictyol	C20H22O7	374.13655	151716-83-5	knapsack	NA	NA
+FL2FALNS0008	5,7,2',3',4'-Pentamethoxyflavanone	C20H22O7	374.13655	497918-30-6	knapsack	NA	NA
+FL2FECNS0008	(2S)-5,6,7,3',4'-Pentamethoxyflavanone	C20H22O7	374.13655	104193-93-3	knapsack	NA	NA
+FL2FGANS0004	(2S)-5,6,7,8,4'-Pentamethoxyflavanone	C20H22O7	374.13655	377090-32-9	knapsack	NA	NA
+FL4DAANI0004	3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone	C20H22O7	374.13655	124901-83-3	knapsack	NA	NA
+MJ048925	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(3-Furancarbonyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048926	14,16-Epoxy-4,10-dihydroxy-2,13(16),14-clerodatriene-17,21:18,1-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048927	15,16-Epoxy-19-hydroxy-2-oxo-13(16),14-clerodadiene-19,6:20,12-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048928	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048929	15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048930	15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-18,19:20,12-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048931	15,16-Epoxy-4,8-dihydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048932	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048933	15,16-Epoxy-6,8-dihydroxy-13(16),14-clerodadiene-17,12:18,19-diolide, 6-Ketone 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048934	15,16:18,19-Diepoxy-2,18-dihydroxy-6-oxo-13(16),14-clerodadien-20,12-olide, 2-Ketone 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048935	19-Hydroxypteronia dilactone 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048936	2',3,3',4,4',6'-Hexahydroxychalcone; 2',3',3,4',4-Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048937	2',3,4,4',5,6'-Hexahydroxychalcone; 2',3,4,4',5-Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048938	2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 2'',3''-Dihydro, 3''-hydroxy 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048939	2',4',5,7-Tetrahydroxy-8-prenylisoflavanone; 2'',3''-Dihydro, 4''-hydroxy 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048940	2,2',4,4',5,6'-Hexahydroxychalcone; 2,2',4,4',5-Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048941	2,3,3',4,4'-Pentahydroxylignan-9,9'-olide, 3,3'-Di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048942	2,3,4-Trihydroxy-1(10),2,7(11),8-guaiatetraen-12,6-olide, 3-(2,3-Epoxy-2-methylbutanoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048943	3',4',5,5',7-Pentahydroxyflavanone, Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048944	3',4',5,6,7-Pentahydroxyflavanone, Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048945	3',4',5,7,8-Pentahydroxyflavanone, Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048946	3',4',5,7-Tetrahydroxy-6-prenylflavanone, 2'',3''-Dihydro, 3''-hydroxy 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048947	3,10-Epoxy-5,6-dihydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,8-olide, 6-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048948	3,10-Epoxy-5,8-dihydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048949	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048950	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048951	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048952	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048953	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048954	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048955	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3'-Di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048956	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 7'-Ketone, 3,3'-di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048957	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048958	3,3',4,4',9-Pentahydroxy-7,9':7',9-diepoxylignan, 3,3'-Di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048959	3,4-Epoxy-5,8-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-(3-Methyl-2-butenoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048960	3,4-Epoxy-8,9-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048961	3,5-Dihydroxystilbene, Mono-O-?-D-glucopyranoside 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048962	3-(2,4-Dihydroxybenzyl)-5,7,8-trihydroxy-6-methyl-4-chromanone; 2',4',5-Tri-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048963	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048964	3-[4-[2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-2-propenal 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048965	4,4',7-Trihydroxy-3,3'-dimethoxylignan-9,9'-olide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048966	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-(3-Methyl-2-butenoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048967	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradiene-12,6;14,2-diolide, 8-Tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048968	4,6:15,16-Diepoxy-2-hydroxy-13(16),14-clerodadiene-18,19:20,12-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048969	5,7-Dihydroxy-3-(3,4,5-trihydroxybenzyl)phthalide, Penta-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048970	5,7-Dihydroxy-6,8-dimethyl-3-(3,4,5-trihydroxybenzyl)-4-chromanone; 3',5'-Di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048971	5,8,14-Trihydroxy-2-oxo-1,(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048972	5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(3-Methyl-2-butenoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048973	5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048974	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 3-O-[2-(Acetoxymethyl)-2-butenoyl](Z-) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048975	6-Methoxy-3',4'-dehydromurranganon; O-(2-Methylpropanoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048976	8,10:12,20-Diepoxy-15-hydroxy-9,10-seco-3,9,13-clerodatriene-16,15:18,6-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048977	8,12-Epoxy-15-hydroxy-1-oxo-2,13-clerodadiene-16,15:18,19-diolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048978	8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxide, 8-tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048979	8-Hydroxy-1(10),4,11(13)-germacratriene-12,6;14,9-diolide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048980	8-Hydroxypinoresinol 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048981	9,10-Epoxy-1,15-dihydroxy-8-oxo-3,11(13)-guaiadien-12,6-olide, 1-Tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048982	9,9'-Epoxy-3',4,4',5,8,9-hexahydroxy-2,7'-cyclolignan; 3',5-Di-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048983	9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 1S,2-Epoxide, 9-tigloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048984	Angelicain, 9-O-Angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048985	Anisocoumarin I 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048986	Barbatic acid; 2-Me ether 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048987	Byakangelicin, 2',3'-O-Isopropylidene 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048988	Disyhamifolide 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048989	Divaricatic acid ; O-De-Me 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048990	Eusiderin L 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048991	Excavatin D, 8-Methoxy , 7'R-hydroxy, 6',7'-dihydro 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048992	Hamaudol, 13-Hydroxy, 3-angeloyl 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048993	Jamesoniellide C 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048994	Khellactone, 10-O-(2-Methylpropanoyl), 9-Ac 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048995	Khellactone, 9-O-(2-Methylpropanoyl), 10-Ac 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048996	Neophellamuretin, 2'',3''-Dihydro, 3''-hydroxy 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048997	Plaunol D 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048998	Saudin 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ048999	Shinjulactone C 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ049000	Shinjulactone F 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ049001	Vaginidiol; 3'-O-(2-Methylpropanoyl), 1''-O-Ac 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MJ049002	Wikstromol 	C20H22O7	374.136553	NA	MeJP	NA	NA
+MetaCyc03252	kievitone hydrate []	C20H22O7	374.136553	62682-11-5	metacyc	NA	NA
+C02549	Kievitone hydrate	C20H22O7	374.1366	NA	KEGG	NA	NA
+C02553	L-Seryl-tRNA(Ser)	C13H22NO12PR2	374.1366	NA	KEGG	NA	NA
+C02554	L-Valyl-tRNA(Val)	C20H30N6O11PR	374.1366	NA	KEGG	NA	NA
+C09073	Chasmanthin	C20H22O7	374.1366	NA	KEGG	NA	NA
+C09151	Palmarin	C20H22O7	374.1366	NA	KEGG	NA	NA
+C09168	Plaunol D	C20H22O7	374.1366	NA	KEGG	NA	NA
+C09351	Budlein A	C20H22O7	374.1366	NA	KEGG	NA	NA
+C09402	Elephantin	C20H22O7	374.1366	NA	KEGG	NA	NA
+C10725	Nortrachelogenin	C20H22O7	374.1366	NA	KEGG	NA	NA
+MJ049003	6-Oxo-3-(2-phenylpyrazolo[1,5-a]pyridin -3-yl)-1(6H)-pyridazinebutanoic acid 	C21H18N4O3	374.13789	NA	MeJP	NA	NA
+MJ049004	Indopanolol 	C20H23ClN2O3	374.13972	NA	MeJP	NA	NA
+PJ000634	GSPD 	C14H22N4O8	374.1438	NA	PeJP	NA	NA
+FL6F1ANC0001	4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan	C24H22O4	374.1518	63524-11-8	knapsack	NA	NA
+MJ049005	1-(3-Ethylphenyl)-1,2-ethanediol; Dibenzoyl 	C24H22O4	374.151809	NA	MeJP	NA	NA
+MJ049006	1-(4-Ethylphenyl)-1,2-ethanediol; Dibenzoyl 	C24H22O4	374.151809	NA	MeJP	NA	NA
+MJ049007	4',7-Dihydroxy-4-(4-hydroxystyryl)flavan, 7-Me ether 	C24H22O4	374.151809	NA	MeJP	NA	NA
+PJ000635	NNQ 	C13H22N6O7	374.155	NA	PeJP	NA	NA
+C14992	3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione	C21H26O4S	374.1552	NA	KEGG	NA	NA
+C14993	Nonylphenol	C21H26O4S	374.1552	NA	KEGG	NA	NA
+MJ049008	Deoxyloganin 	C17H26O9	374.157682	NA	MeJP	NA	NA
+MJ049009	2-O-Acetyl-1-O-isobutyryl-6-O-tigloyl-?-D-glucopyranose 	C17H26O9	374.157682	NA	MeJP	NA	NA
+MJ049010	7-Dioxolanylsecologanin 	C17H26O9	374.157682	NA	MeJP	NA	NA
+MJ049011	Loganic acid; 7-Deoxy, Me ester 	C17H26O9	374.157682	NA	MeJP	NA	NA
+MJ049012	Pinifolin 	C17H26O9	374.157682	NA	MeJP	NA	NA
+MetaCyc03253	7-deoxyloganin []	C17H26O9	374.157682	NA	metacyc	NA	NA
+C06071	Deoxyloganin	C17H26O9	374.1577	NA	KEGG	NA	NA
+C06073	Indole alkaloid	C17H26O9	374.1577	NA	KEGG	NA	NA
+C11648	8-Epideoxyloganin	C17H26O9	374.1577	NA	KEGG	NA	NA
+PJ000636	PQM 	C15H26N4O5S	374.1624	NA	PeJP	NA	NA
+MJ049013	Cyproterone 	C22H27ClO3	374.164872	NA	MeJP	NA	NA
+C09527	Phantomolin	C21H26O6	374.1729	NA	KEGG	NA	NA
+C17826	Hexahydrocurcumin	C21H26O6	374.1729	NA	KEGG	NA	NA
+MJ049014	1,10-Epoxyfuranoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl), 6-Ac 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049015	12-Hydroxy-6,11,14-trioxo-8,12-abietadien-18-oic acid; Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049016	12-Norquassin 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049017	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049018	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049019	15,16-Epoxy-5-hydroxy-2,12-dioxo-1(10),13(16),14-halimatrien-18-oic acid; Me ester 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049020	2,14-Dihydroxycacalol; 2?-form, 9,14-Dipropanoyl 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049021	2,5-Epoxy-2,8-dihydroxy-1(10),3,11(13)-germacratrien-12,6-olide, O2-Et, 8-(2-methylpropenoyl) 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049022	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',4',5-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049023	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',5,7-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049024	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 3',4',5-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049025	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,3',5'-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049026	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',4',5-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049027	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',4',5-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049028	3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,3',5-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049029	3,3',4,4',7'-Pentahydroxy-7,9'-epoxylignan, 3,3',4'-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049030	3,3',4,4',9,9'-Hexahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049031	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3',4-Tri-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049032	3,4:15,16-Diepoxy-13(16),14-clerodadien-20,12-olid-18-oic acid, Me ester 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049033	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3,6-Dipropanoyl 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049034	3,7-Dihydroxy-11,12,13-trinor-1,9-eremophiladien-8-one, 3-(7-Carboxy-6-methyl-2,4-heptadienoyl) 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049035	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether, 1-O-[(2-angeloyloxymethyl)-2Z-butenoyl] 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049036	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3',4'-Di-Me ether, 1-O-[(2-tigloyloxymethyl)-2Z-butenoyl] 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049037	4,6-Dihydroxy-1(10),11(13)-pseudoguaiadien-12,8-olide, 6-(Methylpropenoyl), 4-Ac 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049038	4-Hydroxy-16-nor-3,6,14-trioxo-7,11,15-cembratrien-19,10-olide, Et ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049039	6,11,12,14-Tetrahydroxy-5,8,11,13-abietatetraene-3,7-dione; 12-Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049040	7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049041	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-Carboxylic acid, 3-(3-methyl-2E-pentenoyl) 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049042	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049043	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049044	9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5,8-ditigloyl 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049045	Biondinin A 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049046	Carinatidiol 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049047	Caulerpenyne 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049048	Cochleamycin A 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049049	Crovatin 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049050	Cyclonormammein 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049051	Eremantholide B; 17,18-Didehydro(Z-), Me ether 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049052	Ferrearin D 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049053	Fredericone D 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049054	Javanicin B; 16-Ketone 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049055	Kadsurin B 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049056	Morinin A; 4'-Angeloyloxy, 3-methoxy 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049057	Morinin A; 5'-Angeloyloxy, 3-methoxy 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049058	Omphamurin, O-(3-Methylbutanoyl) 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049059	Picrasin B; 2,3-Didehydro 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049060	Piperenone; 4'-O-De-Me 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049061	Pitholide C 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049062	Strobilurin I 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049063	Subexpinnatin C; 8-(2-Hydroxymethyl-2-propenoyl) 	C21H26O6	374.172938	NA	MeJP	NA	NA
+MJ049064	Virolin; 5-Methoxy, O4-de-Me 	C21H26O6	374.172938	NA	MeJP	NA	NA
+PJ000637	PCR 	C14H26N6O4S	374.1736	NA	PeJP	NA	NA
+C07045	Hydroxyzine	C21H27ClN2O2	374.1761	NA	KEGG	NA	NA
+C07046	Transferred to D00342	C21H27ClN2O2	374.1761	NA	KEGG	NA	NA
+MJ049065	Hydroxyzine 	C21H27ClN2O2	374.176105	NA	MeJP	NA	NA
+PJ000638	VQE 	C15H26N4O7	374.1802	NA	PeJP	NA	NA
+8009	synthetic peptide	LWG	374.184	antibacterial	Inhouse_peptide	NA	peptide
+MJ049066	Gelsedine; 14-Hydroxy, 11-methoxy 	C20H26N2O5	374.184171	NA	MeJP	NA	NA
+FL1C19NP0004	Spinochalcone C	C25H26O3	374.18819	146959-79-7	knapsack	NA	NA
+FL1C19NP0005	Spinochalcone B	C25H26O3	374.18819	145039-93-6	knapsack	NA	NA
+FL2F19NP0002	8-C-Prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O3	374.18819	102673-83-6	knapsack	NA	NA
+FL2F19NP0003	Maximaflavanone A	C25H26O3	374.18819	159650-13-2	knapsack	NA	NA
+MJ049067	7,8-Dihydro-2,2-dimethyl-10-(3-methyl-2-butenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,6-b']dipyran-6-one 	C25H26O3	374.188194	NA	MeJP	NA	NA
+MJ049068	Maximaflavanone A 	C25H26O3	374.188194	NA	MeJP	NA	NA
+MJ049069	Spinochalcone B 	C25H26O3	374.188194	NA	MeJP	NA	NA
+MJ049070	Spinochalcone C 	C25H26O3	374.188194	NA	MeJP	NA	NA
+PJ000639	AER 	C14H26N6O6	374.1914	NA	PeJP	NA	NA
+MJ049071	11,12,13-Trinor-6-guaiene-2,4,10-triol, 4-O-?-D-Glucopyranoside 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049072	2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(2-Acetyl-?-D-glucopyranoside) 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049073	2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(6-Acetyl-?-D-glucopyranoside) 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049074	Antibiotic SEN 366D1; 2,3-Dihydro, 2-hydroxy 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049075	Cinatrin C1 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049076	Cinatrin C2 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049077	Cinatrin C3 	C18H30O8	374.194067	NA	MeJP	NA	NA
+MJ049078	Cucurbic acid; 6,7-Diepimer, O-?-D-glucopyranoside 	C18H30O8	374.194067	NA	MeJP	NA	NA
+PJ000640	GLW 	C19H26N4O4	374.1954	NA	PeJP	NA	NA
+MJ049079	Piquizil 	C19H26N4O4	374.195405	NA	MeJP	NA	NA
+PJ000641	PKM 	C16H30N4O4S	374.1988	NA	PeJP	NA	NA
+MJ049080	Carmoxirole 	C24H26N2O2	374.199428	NA	MeJP	NA	NA
+MJ049081	Halfordinol; O-(3,7-Dimethyl-2,6-octadienyl) (E-) 	C24H26N2O2	374.199428	NA	MeJP	NA	NA
+MJ049082	Bengamide Z; N-De-Me 	C17H30N2O7	374.205301	NA	MeJP	NA	NA
+MJ049083	Trospectomycin 	C17H30N2O7	374.205301	NA	MeJP	NA	NA
+2699	NA	SFLLRN	374.20595	MH2+	Inhouse_peptide	NA	peptide
+C16781	Jasmolin II	C22H30O5	374.2093	NA	KEGG	NA	NA
+HMDB11651	11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid	C22H30O5	374.20932	NA	HMDB2010	NA	NA
+MJ049084	1(10)-Guaiene-4,6,8-triol, 8-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049085	1,10-Epoxy-5-germacrene-4,8-diol; 8-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049086	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2,4-Di-Me ether, 8-angeloyl 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049087	10,12-Dihydroxy-3-longipinen-5-one; 10?-form, 12-Angeloyl, 10-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049088	11,12-Epoxy-13-hydroxy-3,7,15(17)-cembratrien-16,2-olide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049089	11,15-Dihydroxy-9-oxo-5,13,17-prostatrienoic acid, 1,15-Lactone, 11-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049090	12-Hydroperoxy-10-hydroxy-8(13),10,14-epiamphilectatrien-9-one; 10-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049091	15,16-Epoxy-17-hydroxy-12-isocleistanthen-11-one; 3,4-Epoxide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049092	15,16-Epoxy-17-hydroxy-7,13(16),14-labdatrien-19-oic acid; Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049093	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049094	15,16-Epoxy-3,13(16),14-clerodatriene-17,18-dioic acid; ent-form, Di-Me ester 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049095	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049096	15,16-Epoxy-7-hydroxy-3,13(16),14-clerodatrien-18-oic acid, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049097	16-Kaurene-3,6,11,15-tetrol, 6,15-Diketone, 3-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049098	17-Hydroxyestr-4-en-3-one; 17?-form, 17-(3-Carboxypropanoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049099	18-Hydroxy-19-oxo-1(9),6,13-xenicatrien-17,18-olide; Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049100	2,19-Epoxy-18-hydroxy-3,13-clerodadien-15,16-olide, 18-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049101	2,19-Epoxy-18-hydroxy-3,13-clerodadien-16,15-olide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049102	2,7,14-Trihydroxy-16-kauren-15-one, 2-Ketone, 14-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049103	2-(3-Hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentaneheptanoic acid 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049104	3,19-Dihydroxy-13(16),14-spongiadien-2-one, 3-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049105	3,3',4,4',7-Pentahydroxylignan, 3,3',4,4'-Tetra-Me ether 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049106	3,4-Epoxy-13-hydroxy-7,11,15(17)-cembratrien-16,14-olide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049107	3,4-Epoxy-14-hydroxy-7,11,15(17)-cembratrien-16,2-olide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049108	3,4-Epoxy-8,10-guaianediol; 8-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049109	3,7,11,15(17)-Cembratetraen-16,14-olide, 3?,4?-Epoxide, 18-acetoxy 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049110	3,7,14-Trihydroxy-16-kauren-15-one, 3-Ketone, 14-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049111	3,7,14-Trihydroxy-16-kauren-15-one, 3-Ketone, 7-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049112	3-(4,6,8-Dodecatrienyloxy)-1,2-propanediol, 2-O-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049113	3-(4,6,8-Dodecatrienyloxy)-1,2-propanediol, 3-O-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049114	4,5-Epoxy-1(10)-germacrene-6,8-diol, 4-Hydroxybenzoyl 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049115	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049116	5,11-Dihydroxy-1-silphinen-3-one; 5-Angeloyl, 11-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049117	5,11-Dihydroxy-1-silphinen-3-one; 5-Tigloyl, 11-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049118	6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, 14-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049119	6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, 6-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049120	6,7,18-Trihydroxy-16-kauren-19-oic acid, 19?6 Lactone, 18-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049121	7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 7-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049122	7,20:19,20-Diepoxy-15-atisene-6,19-diol, 6-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049123	7,8-Epoxy-1(15),3,11-cembratrien-16,2-olide, 13-Acetoxy 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049124	7-Hydroxy-18-oxo-3,13-clerodadien-16,15-olide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049125	7-Hydroxy-2-oxo-3,13-clerodadien-15,16-olide, Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049126	8(14)-Daucene-4,6,9-triol, 6-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049127	8,12-Abietadiene-6,7,11,14-tetrone; 7,7-Covalent hydrate, di-Me ether 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049128	8,14-Dihydroxy-1(19),6,10,12-xenicatetraen-18,17-olide; 8?-form, 8-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049129	8,9-Epoxy-4,6-daucanediol, 6-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049130	8-Daucene-2,4,6-triol, 6-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049131	8-Daucene-4,6,14-triol, 6-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049132	8-Daucene-4,6-diol, 6-(3,4-Dihydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049133	9,11-Epoxy-1,6-dihydroxy-16-kauren-15-one, 1-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049134	9-Daucene-4,6,8-triol, 6-(4-Hydroxybenzoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049135	Amphidinolide P 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049136	Antibiotic L 671776 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049137	Cannabielsoic acid A 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049138	Cannabielsoic acid B 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049139	Cicaprost 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049140	Elisabethin A; 2?-Hydroxy, 16-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049141	Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methylbutanoyl), 3-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049142	Furanoeremophilane-1,6-diol, 1-(3-Methyl-2-butenoyl), 6-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049143	Furanoeremophilane-1,6-diol, 1-Angeloyl, 6-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049144	Furanoeremophilane-1,6-diol, 1-Tigloyl, 6-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049145	Furanoeremophilane-2,3-diol, 2-Ac, 3-angeloyl 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049146	Furanoeremophilane-2,3-diol, 3-Ac, 2-(3-methyl-2-butenoyl) 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049147	Furanoeremophilane-2,3-diol, 3-Ac, 2-angeloyl 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049148	Furanoeremophilane-3,6-diol, 3-O-Angeloyl, 6-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049149	Furanoeremophilane-3,6-diol, 6-O-Angeloyl, 3-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049150	Gelomulide C; 3?-Alcohol, 3-Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049151	Guanacastepene 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049152	Hebemacrophyllide; 6-Epimer, 7?-acetoxy 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049153	Hebemacrophyllide; 7?-Acetoxy 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049154	Illustrol; Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049155	Jaspiferal E 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049156	Lobophytol; Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049157	Lobophytum lactone; Ac 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049158	Macrophorin A; 3-Oxo 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049159	Methylprednisolone 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049160	Pyrethrin II; 4',5'-Dihydro 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049161	Rosmanol; 11,12-Di-Me ether 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049162	Rosmanol; 7-Epimer, 7-Et ether 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049163	Rosmanol; 7-Et ether 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049164	Sarcodontic acid; 4,5-Didehydro 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049165	Sarsolenone 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049166	Sequoiatone B 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049167	Shikoccin 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049168	Tridachiapyrone G; 13-Hydroperoxide 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049169	Verecynarmin G 	C22H30O5	374.209324	NA	MeJP	NA	NA
+MJ049170	Wedeliasecokaurenolide; 3?-Acetoxy 	C22H30O5	374.209324	NA	MeJP	NA	NA
+PJ000642	VKE 	C16H30N4O6	374.2166	NA	PeJP	NA	NA
+MJ049171	Ochropposinineoxindole 	C21H30N2O4	374.220557	NA	MeJP	NA	NA
+MJ049172	14-Chloro-8,12-epoxy-13,15,16-labdanetriol 	C20H35ClO4	374.222387	NA	MeJP	NA	NA
+PJ000643	SLR 	C15H30N6O5	374.2278	NA	PeJP	NA	NA
+MJ049173	Tinabinol 	C23H34O2S	374.227951	NA	MeJP	NA	NA
+MJ049174	5-Megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside 	C19H34O7	374.230453	NA	MeJP	NA	NA
+MJ049175	5-Megastigmene-3,9-diol, 9-O-?-D-Glucopyranoside 	C19H34O7	374.230453	NA	MeJP	NA	NA
+MJ049176	7-Megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside 	C19H34O7	374.230453	NA	MeJP	NA	NA
+MJ049177	Picrionoside B 	C19H34O7	374.230453	NA	MeJP	NA	NA
+HMDB06472	Calcitroic acid	C23H34O4	374.245697	NA	HMDB2010	NA	NA
+HMDB06472	Calcitroic acid (D3)	C23H34O4	374.2457	http://www.hmdb.ca/metabolites/HMDB06472	HMDB	NA	NA
+C15324	Androst-4-ene-3beta,17beta-diol diacetate	C23H34O4	374.2457	NA	KEGG	NA	NA
+C15423	Androst-4-ene-3alpha,17beta-diol diacetate	C23H34O4	374.2457	NA	KEGG	NA	NA
+HMDB06472	Calcitroic acid (D3)	C23H34O4	374.2457	HMDB06472	PFEM_hmdb_metabocards_official	NA	NA
+MJ049178	1,3-Dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-oic acid 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049179	13(17)-Villanoven-7-ol, Malonyl 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049180	15-Beyeren-19-ol; ent-form, Malonate 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049181	16-Kauren-14-ol, (2-Carboxymethyl) ester 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049182	17,18-Epoxy-1(19),6,10,13-xenicatetraene-17,18-diol, 17-Me ether, 18-Ac 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049183	21,23-Epoxy-24-norchola-20,22-diene-3,14,17-triol 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049184	3,14-Dihydroxycard-20(22)-enolide 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049185	3,21-Dihydroxypregn-5-en-20-one, 21-Ac 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049186	3-Heptadecyl-2,5-dihydroxybenzoquinone; 8',9',11',12'-Tetradehydro (Z,Z-) 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049187	5-Hydroxy-2-oxo-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-3-cyclohexene-1-acetic acid 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049188	7,13-Corymbidienolide 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049189	7,14-Dihydroxycard-20(22)-enolide 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049190	7,15-Isopimaradien-17-ol, Malonyl 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049191	7,15-Isopimaradien-19-ol, O-Malonyl 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049192	7,15-Pimaradien-18-ol, Malonoyl 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049193	7,15-Pimaradien-2-ol, Malonoyl ester 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049194	7,18-Trachylobanediol, 7-Ac, 18-formyl 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049195	8(17),12,14-Labdatrien-19-ol, Malonoyl ester 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049196	9(11),15-Isopimaradien-19-ol; ent-form, 19-Malonyl ester 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049197	Buxahejrine 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049198	Chiogralactone 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049199	Plakortolide C 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049200	Pregna-5,20-diene-3,7,11-triol, 3-Ac 	C23H34O4	374.245709	NA	MeJP	NA	NA
+MJ049201	Folicanthine 	C24H30N4	374.247046	NA	MeJP	NA	NA
+MJ049202	Antibiotic Y 03873J-A 	C17H34N4O5	374.25292	NA	MeJP	NA	NA
+MJ049203	Anhydroperipentamine 	C22H34N2O3	374.256942	NA	MeJP	NA	NA
+MJ049204	Kalihinene; 6?-Hydroxy, 10-formamide 	C22H34N2O3	374.256942	NA	MeJP	NA	NA
+MJ049205	Kalihinene; 6?-Hydroxy, 15-formamide 	C22H34N2O3	374.256942	NA	MeJP	NA	NA
+MJ049206	Mycaleoxime 	C22H34N2O3	374.256942	NA	MeJP	NA	NA
+MJ049207	Peripentadenine 	C22H34N2O3	374.256942	NA	MeJP	NA	NA
+MJ049208	Trapencaine 	C22H34N2O3	374.256942	NA	MeJP	NA	NA
+MJ049209	Lipoxamycin; 10'-Alcohol 	C19H38N2O5	374.278072	NA	MeJP	NA	NA
+MJ049210	1-(4-Hydroxyphenyl)-5-octadecanone; 3'-Hydroxy, 13,14-didehydro (Z)- 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049211	10-Hydroxy-7,11,13,16,19-docosapentaenoic acid, Et ester 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049212	17-Hydroxyandrostan-3-one, 17-Pentanoyl 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049213	2-Heptadecyl-6-hydroxybenzoic acid; 10',11'-Didehydro(Z-) 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049214	2-Heptadecyl-6-hydroxybenzoic acid; 12',13'-Didehydro(Z-) 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049215	2-Heptadecyl-6-hydroxybenzoic acid; 8',9'-Didehydro(Z-) 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049216	3,6-Dihydroxy-4,4,14-trimethylpregn-8-en-20-one 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049217	3-Heptadecyl-2,5-dihydroxybenzoquinone; 2-Deoxy, 10',11'Z-didehydro 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049218	3-Hydroxychol-11-en-24-oic acid 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049219	4,5-Dihydro-4-hydroxy-5-methyl-3-(13-phenyltridecyl)-2(3H)-furanone 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049220	6,13-Epoxy-4(18),8-eunicelladien-12-ol, Butanoyl 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049221	9,13-Epoxy-7,14-labdadien-6-ol, Butanoyl 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049222	Canbisol 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049223	Dietrichequinone 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049224	Raspailol A 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MJ049225	Rhopaloic acid A 	C24H38O3	374.282095	NA	MeJP	NA	NA
+MetaCyc03254	3-oxo-5-&beta;-cholanate []	C24H38O3	374.282095	NA	metacyc	NA	NA
+HMDB00308	3b-Hydroxy-5-cholenoic acid	C24H38O3	374.2821	http://www.hmdb.ca/metabolites/HMDB00308	HMDB	NA	NA
+C03070	3-Oxo-5beta-cholanate	C24H38O3	374.2821	NA	KEGG	NA	NA
+C14991	3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one	C24H38O3	374.2821	NA	KEGG	NA	NA
+C15345	3beta-[(Tetrahydro-2H-pyran-2-yl)oxy]androst-5-en-17beta-ol	C24H38O3	374.2821	NA	KEGG	NA	NA
+HMDB00308	3b-Hydroxy-5-cholenoic acid	C24H38O3	374.2821	HMDB00308	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00308	3b-Hydroxy-5-cholenoic acid	C24H38O3	374.282104	NA	HMDB2010	NA	NA
+MJ049226	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-12-methyltridecanoyl) 	C23H38N2O2	374.293328	NA	MeJP	NA	NA
+MJ049227	24,25-Dinor-1,3,5,7,9-arborinapentaene 	C28H38	374.297351	NA	MeJP	NA	NA
+MJ049228	Xylose; ?-D-Pyranose-form, Hexadecyl glycoside 	C21H42O5	374.303224	NA	MeJP	NA	NA
+MJ049229	1-Hydroxy-2,5,16-pentacosatrien-4-one, Aldehyde 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049230	1-Hydroxy-2,5,18-pentacosatrien-4-one, Aldehyde 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049231	1-Hydroxy-2,5,20-pentacosatrien-4-one, Aldehyde 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049232	16-Pentacosene-2,4-diyne-1,6-diol 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049233	4,4,14,20-Tetramethylpregn-8-ene-3,22-diol 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049234	5-Heptadecyl-1,3-benzenediol; 10',11'-Didehydro(Z-), di-Me ether 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049235	5-Nonadecyl-1,3-benzenediol; 14',15'-Didehydro(Z-) 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049236	Albocerol 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049237	Albolineol 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049238	Cericerol II 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049239	Floridenol; 5?-Hydroxy 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049240	Geranylfarnesol, 20-Hydroxy 	C25H42O2	374.31848	NA	MeJP	NA	NA
+MJ049241	3,20-Diaminopregn-5-en-15-ol, N3,N20,N20-Tri-Me 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049242	Buxus Alkaloid B 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049243	Buxus Alkaloid C 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049244	Chonemorphineyl 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049245	Cyclobuxamine I; N20-Me 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049246	Holaline 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049247	Pregnane-3,20-diamine, N3,N3-Di-Me, N20-formyl 	C24H42N2O	374.329713	NA	MeJP	NA	NA
+MJ049248	19-Norcholestan-3-ol 	C26H46O	374.354866	NA	MeJP	NA	NA
+MJ049249	26,27-Dinorergostan-3-ol 	C26H46O	374.354866	NA	MeJP	NA	NA
+MJ049250	Pregnane-3,20-diamine, N3,N3,N20,N20-Tetra-Me 	C25H46N2	374.366099	NA	MeJP	NA	NA
+MJ049251	1,18,20-Heptacosatriene 	C27H50	374.391251	NA	MeJP	NA	NA
+MJ049252	1,3,18-Heptacosatriene 	C27H50	374.391251	NA	MeJP	NA	NA
+2602	tachykinin family from white shrimp Penaeus vannam	ASFSPWG~	374.6685	MH2+	Inhouse_peptide	NA	peptide
+C11067	MC-3761	C14H8Cl3NO5	374.9468	NA	KEGG	NA	NA
+MJ049253	Bromuconazole 	C13H12BrCl2N3O	374.95408	NA	MeJP	NA	NA
+MJ049254	Amminedichloro(2-methylpyridine)platinum 	C6H10Cl2N2Pt	374.986878	NA	MeJP	NA	NA
+MJ049255	3-(2-Carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid 	C18H11Cl2NO4	375.006513	NA	MeJP	NA	NA
+MJ049256	2-Bromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol 	C16H14BrN3O3	375.021853	NA	MeJP	NA	NA
+MJ049257	5-(4-Bromobenzoyl)-5H-dibenz[b,f]azepine 	C21H14BrNO	375.025876	NA	MeJP	NA	NA
+C11182	Prochloraz	C15H16Cl3N3O2	375.0308	NA	KEGG	NA	NA
+C11183	Transferred to D01048	C15H16Cl3N3O2	375.0308	NA	KEGG	NA	NA
+C11031	Haloxyfop methyl	C16H13ClF3NO4	375.0485	NA	KEGG	NA	NA
+MJ049258	1-Methylpropyl glucosinolate 	C11H21NO9S2	375.065772	NA	MeJP	NA	NA
+MJ049259	2-Methylpropyl glucosinolate 	C11H21NO9S2	375.065772	NA	MeJP	NA	NA
+MJ049260	Butyl glucosinolate 	C11H21NO9S2	375.065772	NA	MeJP	NA	NA
+C08407	Glucocochlearin	C11H21NO9S2	375.0658	NA	KEGG	NA	NA
+C17256	2-Methylpropyl glucosinolate	C11H21NO9S2	375.0658	NA	KEGG	NA	NA
+MJ049261	Maribavir 	C15H19Cl2N3O4	375.075261	NA	MeJP	NA	NA
+MJ049262	Gravacridonolchlorine 	C19H18ClNO5	375.08735	NA	MeJP	NA	NA
+MJ049263	Azidocillin 	C16H17N5O4S	375.100124	NA	MeJP	NA	NA
+MJ049264	Brequinar 	C23H15F2NO2	375.107085	NA	MeJP	NA	NA
+MJ049265	Cinaproxen 	C19H21NO5S	375.114043	NA	MeJP	NA	NA
+MJ049266	Euxylophoricine D; 7,8-Didehydro 	C21H17N3O4	375.121906	NA	MeJP	NA	NA
+MJ049267	Tidembersat 	C20H19F2NO4	375.128214	NA	MeJP	NA	NA
+MJ049268	Tiagabine 	C20H25NO2S2	375.13267	NA	MeJP	NA	NA
+C07503	Tiagabine	C20H25NO2S2	375.1327	NA	KEGG	NA	NA
+MJ049269	Ruzadolane 	C18H19F2N5S	375.132922	NA	MeJP	NA	NA
+PJ000644	NNE 	C13H21N5O8	375.139	NA	PeJP	NA	NA
+C01814	Haloperidol	C21H23ClFNO2	375.1401	NA	KEGG	NA	NA
+C01815	Heavy metal	C21H23ClFNO2	375.1401	NA	KEGG	NA	NA
+MJ049270	Haloperidol 	C21H23ClFNO2	375.140134	NA	MeJP	NA	NA
+PJ000645	PEM 	C15H25N3O6S	375.1464	NA	PeJP	NA	NA
+MJ049271	Dioncolactone A 	C23H21NO4	375.147058	NA	MeJP	NA	NA
+MJ049272	Xenazoic acid 	C23H21NO4	375.147058	NA	MeJP	NA	NA
+MJ049273	Simmondsin 	C16H25NO9	375.152931	NA	MeJP	NA	NA
+MJ049274	Theodrenaline 	C17H21N5O5	375.154268	NA	MeJP	NA	NA
+PJ000646	GNW 	C17H21N5O5	375.1543	NA	PeJP	NA	NA
+MJ049275	Almazole D 	C22H21N3O3	375.158291	NA	MeJP	NA	NA
+MJ049276	Cynodine; N1-De-Me 	C22H21N3O3	375.158291	NA	MeJP	NA	NA
+MJ049277	Cystodytins; Cystodytin C 	C22H21N3O3	375.158291	NA	MeJP	NA	NA
+MJ049278	Icajine; N-De-Me, N-cyano 	C22H21N3O3	375.158291	NA	MeJP	NA	NA
+C07661	Gatifloxacin	C19H22FN3O4	375.1594	NA	KEGG	NA	NA
+MJ049279	Gatifloxacin 	C19H22FN3O4	375.159434	NA	MeJP	NA	NA
+MJ049280	2-[4-(4-Fluorobenzoyl)-1-piperidinyl]-1-(2-naphthalenyl)ethanone 	C24H22FNO2	375.163457	NA	MeJP	NA	NA
+PJ000647	VEE 	C15H25N3O8	375.1642	NA	PeJP	NA	NA
+3372	ACE inhibitor from b-CN (179-181)	PYP	375.167	celiac toxic	Inhouse_peptide	NA	peptide
+MJ049281	Antibiotic UCS 1025A; 6-Hydroxy 	C20H25NO6	375.168187	NA	MeJP	NA	NA
+MJ049282	Antibiotic UCS 1025B 	C20H25NO6	375.168187	NA	MeJP	NA	NA
+MJ049283	Longanine; 6-Ketone, 8-Me ether 	C20H25NO6	375.168187	NA	MeJP	NA	NA
+MJ049284	Narcissidine; O3-Ac 	C20H25NO6	375.168187	NA	MeJP	NA	NA
+MJ049285	Roemecarine, 2?-N-Oxide 	C20H25NO6	375.168187	NA	MeJP	NA	NA
+MJ049286	Seneciphylline; O-Ac 	C20H25NO6	375.168187	NA	MeJP	NA	NA
+2863	NA	YPFVEP	375.1725	MH2+	Inhouse_peptide	NA	peptide
+MJ049287	1,1,1-Tri-(1H-indol-3-yl)ethane 	C26H21N3	375.173547	NA	MeJP	NA	NA
+PJ000648	NDK 	C14H25N5O7	375.1754	NA	PeJP	NA	NA
+PJ000649	PPY 	C19H25N3O5	375.1794	NA	PeJP	NA	NA
+C12962	Cyphenothrin	C24H25NO3	375.1834	NA	KEGG	NA	NA
+C12963	Transferred to D01512	C24H25NO3	375.1834	NA	KEGG	NA	NA
+C12964	Transferred to D01513	C24H25NO3	375.1834	NA	KEGG	NA	NA
+C12965	Transferred to D01514	C24H25NO3	375.1834	NA	KEGG	NA	NA
+C12966	Transferred to D01515	C24H25NO3	375.1834	NA	KEGG	NA	NA
+MJ049288	Murrayamine J; 1-Methoxy 	C24H25NO3	375.183443	NA	MeJP	NA	NA
+MJ049289	Severifoline; N-Me 	C24H25NO3	375.183443	NA	MeJP	NA	NA
+PJ000650	SNR 	C13H25N7O6	375.1866	NA	PeJP	NA	NA
+PJ000651	GGSR 	C13H25N7O6	375.1867	NA	PeJP	NA	NA
+MJ049290	Metazosin 	C18H25N5O4	375.190654	NA	MeJP	NA	NA
+MJ049291	Neldazosin 	C18H25N5O4	375.190654	NA	MeJP	NA	NA
+MJ049292	3-[3-(Dimethylamino)propyl]-4-hydroxy-N-[4-(4-pyridinyl)phenyl]benzamide 	C23H25N3O2	375.194677	NA	MeJP	NA	NA
+MJ049293	4-[5-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl]benzoic acid 	C23H25N3O2	375.194677	NA	MeJP	NA	NA
+MJ049294	Icopezil 	C23H25N3O2	375.194677	NA	MeJP	NA	NA
+MJ049295	Antibiotic BE 16627; Antibiotic BE 16627B 	C16H29N3O7	375.20055	NA	MeJP	NA	NA
+MJ049296	Alkaloid CC-3b 	C21H29NO5	375.204573	NA	MeJP	NA	NA
+MJ049297	Athrocupressine; Me ether, 1?,6?-epoxide 	C21H29NO5	375.204573	NA	MeJP	NA	NA
+MJ049298	Athrocupressine; Me ether, 2?-Hydroxy 	C21H29NO5	375.204573	NA	MeJP	NA	NA
+MJ049299	Galanthamine, 1,2-Dihydro, O-(3S-hydroxybutanoyl) 	C21H29NO5	375.204573	NA	MeJP	NA	NA
+MJ049300	Haemanthamine, Dihydro, O-(2-hydroxybutyl) 	C21H29NO5	375.204573	NA	MeJP	NA	NA
+PJ000652	TQK 	C15H29N5O6	375.2118	NA	PeJP	NA	NA
+PJ000653	PLF 	C20H29N3O4	375.2158	NA	PeJP	NA	NA
+MJ049301	Cadiamine; O8-(2-Pyrrolecarboxylate) 	C20H29N3O4	375.215806	NA	MeJP	NA	NA
+PJ000654	LLM 	C17H33N3O4S	375.2192	NA	PeJP	NA	NA
+MJ049302	Prenoverine 	C25H29NO2	375.219829	NA	MeJP	NA	NA
+MJ049303	Phenylalaninylarginal; N2-(2-Methylpropanoyl) 	C19H29N5O3	375.227039	NA	MeJP	NA	NA
+MJ049304	Pipamperone 	C21H30FN3O2	375.232205	NA	MeJP	NA	NA
+MJ049305	17-Amino-3,7,11-cembratrien-16,2-olid-19-oic acid, N,N-Di-Me 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049306	Heterophylline; O1-Me 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049307	Isostemonine 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049308	Lepenine; N-Oxide 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049309	Napelline; 12-Epimer, N-oxide 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049310	Napelline; N-Oxide 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049311	Pentagydine; 7-Deoxy 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049312	Sinulamine II; O13-De-Ac, 13-ketone 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049313	Spiramine H; 1?-Hydroxy 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049314	Spiramine H; 1?-Hydroxy 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049315	Spiramine P 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049316	Stemonine 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049317	Tuberostemonine 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049318	Turpelline 	C22H33NO4	375.240958	NA	MeJP	NA	NA
+MJ049319	Dendroxine; 6-Hydroxy, N-(3-methyl-2-butenyl) 	C22H34NO4(+)	375.240958	NA	MeJP	NA	NA
+C08689	Icaceine	C22H33NO4	375.241	NA	KEGG	NA	NA
+MJ049320	Antibiotic KA 6606XVI 	C16H33N5O5	375.248169	NA	MeJP	NA	NA
+MJ049321	Antibiotic Y 03873J 	C16H33N5O5	375.248169	NA	MeJP	NA	NA
+PJ000655	TKK 	C16H33N5O5	375.2482	NA	PeJP	NA	NA
+MJ049322	Geneseroline, Heptylcarbamate ester 	C21H33N3O3	375.252191	NA	MeJP	NA	NA
+C13829	7,10,13,16-Docosatetraenoylethanolamine	C24H41NO2	375.3137	NA	KEGG	NA	NA
+HMDB13626	Adrenoyl ethanolamide	C24H41NO2	375.313721	NA	HMDB2010	NA	NA
+MJ049323	2-Phenylethylamine; N-(9-Hydroxyhexadecanoyl) 	C24H41NO2	375.313729	NA	MeJP	NA	NA
+MJ049324	20-Aminopregn-5-ene-3,16-diol, N-Di-Me, 3-Me ether 	C24H41NO2	375.313729	NA	MeJP	NA	NA
+MJ049325	Mycalazoles; Mycalazole 4 	C24H41NO2	375.313729	NA	MeJP	NA	NA
+MJ049326	2,14-Eicosadienoic acid, Piperidide 	C25H45NO	375.350115	NA	MeJP	NA	NA
+MJ049327	2,4-Eicosadienoic acid, Piperidide 	C25H45NO	375.350115	NA	MeJP	NA	NA
+MJ049328	3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Eicosyl-1H-pyrrole-2-carboxaldehyde 	C25H45NO	375.350115	NA	MeJP	NA	NA
+8153	peptide from Okara protein - soybean lipoxygenase-1	TIIPLPV	375.7355	MH2+	Inhouse_peptide	NA	peptide
+8154	peptide from Okara protein - soybean lipoxygenase-1	TIIPLPV	375.7355	MH2+	Inhouse_peptide	NA	peptide
+C18148	Octachlorostyrene	C8Cl8	375.7508	NA	KEGG	NA	NA
+MJ049329	5,8-Dibromo-2,6-dichloro-2,6-dimethyl-3,7-octadienal 	C10H12Br2Cl2O	375.863195	NA	MeJP	NA	NA
+MJ049330	1,1,3-Tribromo-2-nonanone 	C9H15Br3O	375.867303	NA	MeJP	NA	NA
+MJ049331	2,2'-Thiobis[4-chloro-6-nitrophenol] 	C12H6Cl2N2O6S	375.932362	NA	MeJP	NA	NA
+MJ049332	Ambroxol 	C13H18Br2N2O	375.978588	NA	MeJP	NA	NA
+MJ049333	4-Amino-7-(5-deoxyribosyl)-5-iodopyrrolo[2,3-d]pyrimidine; 1'?-form 	C11H13IN4O3	376.003233	NA	MeJP	NA	NA
+MJ049334	4-Amino-7-(5-deoxyribosyl)-5-iodopyrrolo[2,3-d]pyrimidine; 1'?-form 	C11H13IN4O3	376.003233	NA	MeJP	NA	NA
+MJ049335	9,15-Dibromo-1,3(15)-chamigradien-7-ol 	C15H22Br2O	376.00374	NA	MeJP	NA	NA
+MJ049336	Perforatone 	C15H22Br2O	376.00374	NA	MeJP	NA	NA
+MJ049337	N?-(1H-Indol-3-ylcarbonyl)histidine, 6'-Bromo 	C15H13BrN4O3	376.017102	NA	MeJP	NA	NA
+MJ049338	?-(1H-Indol-3-ylcarbonyl)histidine, 6'-Bromo 	C15H13BrN4O3	376.017102	NA	MeJP	NA	NA
+MJ049339	Haloxazolam 	C17H14BrFN2O2	376.022268	NA	MeJP	NA	NA
+MJ049340	Nortopsentin A; 6'-Debromo 	C19H13BrN4	376.032359	NA	MeJP	NA	NA
+MJ049341	Nortopsentin A; 6-Debromo 	C19H13BrN4	376.032359	NA	MeJP	NA	NA
+MJ049342	Phyllopsorin 	C18H13ClO7	376.03498	NA	MeJP	NA	NA
+MJ049343	Ethyl dirazepate 	C18H14Cl2N2O3	376.038147	NA	MeJP	NA	NA
+MJ049344	Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl), 1-Me ester 	C14H16O12	376.064175	NA	MeJP	NA	NA
+MJ049345	Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl), 6-Me ester 	C14H16O12	376.064175	NA	MeJP	NA	NA
+MJ049346	3',4'-Deoxypsorospermin, 3',4'-Dihydro, 3'-hydroxy, 4'-chloro 	C19H17ClO6	376.071365	NA	MeJP	NA	NA
+MJ049347	Ciprazafone 	C19H18Cl2N2O2	376.074533	NA	MeJP	NA	NA
+JH224	Chlorogenic acid [M+Na]+	NA	376.0776	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH224	Chlorogenic acid [M+Na]+	NA	376.0776	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH224	Chlorogenic acid [M+Na]+	NA	376.0776	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH224	Chlorogenic acid [M+Na]+	NA	376.0776	11.5	Inhousejuil11	NA	NA
+FL3FG8NS0008	5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone;2-(3,6-Dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one	C18H16O9	376.07943	160389-07-1	knapsack	NA	NA
+FL3FGGNS0011	5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone	C18H16O9	376.07943	147025-58-9	knapsack	NA	NA
+FL3FGLNS0001	5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone	C18H16O9	376.07943	102673-76-7	knapsack	NA	NA
+FL4DECNS0001	3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-acetate	C18H16O9	376.07943	130926-70-4	knapsack	NA	NA
+FL4DG9NS0001	Plumbaginol;3,5,3'-Trihydroxy-8,5'-dimethyoxy-6,7-methylenedioxyflavanone	C18H16O9	376.07943	155521-00-9	knapsack	NA	NA
+FL5FEGNS0003	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone	C18H16O9	376.07943	71325-91-2	knapsack	NA	NA
+FL5FEGNS0004	5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone	C18H16O9	376.07943	74517-68-3	knapsack	NA	NA
+FL5FEGNS0005	5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone	C18H16O9	376.07943	72357-38-1	knapsack	NA	NA
+FL5FEGNS0006	3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone	C18H16O9	376.07943	139889-56-8	knapsack	NA	NA
+FL5FELNS0003	Apuleisin	C18H16O9	376.07943	34211-15-9	knapsack	NA	NA
+FL5FELNS0004	5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone	C18H16O9	376.07943	113744-07-3	knapsack	NA	NA
+FL5FELNS0005	5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone	C18H16O9	376.07943	99816-56-5	knapsack	NA	NA
+FL5FELNS0006	5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone	C18H16O9	376.07943	99816-55-4	knapsack	NA	NA
+FL5FFGNS0002	Hibiscetin 3,7,4'-trimethyl ether	C18H16O9	376.07943	71149-61-6	knapsack	NA	NA
+FL5FFGNS0003	Hibiscetin 3,8,4'-trimethyl ether	C18H16O9	376.07943	99816-54-3	knapsack	NA	NA
+FL5FFLNS0005	5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone	C18H16O9	376.07943	100363-97-1	knapsack	NA	NA
+FL5FGCNS0004	5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one	C18H16O9	376.07943	61451-85-2	knapsack	NA	NA
+FL5FGCNS0005	5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone	C18H16O9	376.07943	102487-39-8	knapsack	NA	NA
+FL5FGCNS0006	3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone	C18H16O9	376.07943	102673-79-0	knapsack	NA	NA
+FL5FGCNS0007	Limocitrol	C18H16O9	376.07943	549-10-0	knapsack	NA	NA
+MJ049348	2',3',5,6,6',7,8-Heptahydroxyflavone; 2',6,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049349	2',3,3',4',5,6,7-Heptahydroxyflavone; 3,4',7-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049350	2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,6-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049351	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',6-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049352	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,5',6-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049353	2',3,4',5,5',7,8-Heptahydroxyflavone; 3,5',8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049354	2',4',5,5',6,7,8-Heptahydroxyflavone; 5',6,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049355	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049356	3',4',5,5',6,7,8-Heptahydroxyflavone; 4',6,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049357	3,3',4',5,5',6,7-Heptahydroxyflavone; 3',4',6-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049358	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5'-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049359	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',6-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049360	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,4',6-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049361	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',7-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049362	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049363	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049364	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,6,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049365	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,7,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049366	3,3',4',5,6,7,8-Heptahydroxyflavone; 6,7,8-Tri-Me ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049367	3,3',4',5,6,7-Hexahydroxyflavanone, 6-Me ether, 3-Ac 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049368	3,3',5,5',6,7,8-Heptahydroxyflavanone, 3',8-Di-Me, 6,7-methylene ether 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049369	Alectorialic acid 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049370	Clitoriacetal; 9-O-De-Me 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049371	Decarboxythamnolic acid 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049372	Marticin 	C18H16O9	376.079432	NA	MeJP	NA	NA
+MJ049373	Puertitol B; Ac 	C17H26BrClO2	376.08047	NA	MeJP	NA	NA
+MJ049374	Cisconazole 	C19H15F3N2OS	376.085718	NA	MeJP	NA	NA
+MJ049375	Phosmidosine; N-Deprolyl 	C11H17N6O7P	376.089633	NA	MeJP	NA	NA
+FL4DA9NS0009	Pinobanksin 3-benzoate	C22H16O6	376.09468	129693-91-0	knapsack	NA	NA
+FLIFWXNP0001	Dehydromillettone;6a,12a-Didehydromillettone	C22H16O6	376.09468	43016-04-2	knapsack	NA	NA
+MJ049376	3,5,7-Trihydroxyflavanone, 3-Benzoyl 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049377	4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049378	Bisanhydroaklavinone 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049379	Diospyrin; 2',3'-Dihydro 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049380	Millettone; natural-form, 5a,12b-Didehydro 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049381	Naphthoherniarin 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049382	Natalenone 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049383	Pummeloquinone 	C22H16O6	376.094688	NA	MeJP	NA	NA
+MJ049384	Resistomycin 	C22H16O6	376.094688	NA	MeJP	NA	NA
+C12080	Resistomycin	C22H16O6	376.0947	NA	KEGG	NA	NA
+MJ049385	Hamaudol, 3-(3-Methylthio-2-propenoyl) 	C19H20O6S	376.098059	NA	MeJP	NA	NA
+MJ049386	Flutazolam 	C19H18ClFN2O3	376.098998	NA	MeJP	NA	NA
+MJ049387	4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 4-O-(6-O-Malonyl-?-D-glucopyranoside) 	C15H20O11	376.100561	NA	MeJP	NA	NA
+MJ049388	18-Bromo-17-octadecene-5,7,15-triynoic acid, Et ester 	C20H25BrO2	376.103792	NA	MeJP	NA	NA
+MJ049389	Altemicidin 	C13H20N4O7S	376.105269	NA	MeJP	NA	NA
+MJ049390	3-Chloro-8-hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Angeloyl 	C20H21ClO5	376.107751	NA	MeJP	NA	NA
+MJ049391	5-Ribofuranosyluridine; ?-D-form 	C14H20N2O10	376.111794	NA	MeJP	NA	NA
+FL2FEGNS0004	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone	C19H20O8	376.11581	310888-08-5	knapsack	NA	NA
+FL2FG8NS0001	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone	C19H20O8	376.11581	158305-76-1	knapsack	NA	NA
+FLICQUNS0007	Abruquinone C;6-Hydroxy-7,8,3',4'-tetramethoxyisoflavanquinone	C19H20O8	376.11581	71593-11-8	knapsack	NA	NA
+FLID4GNS0001	2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan	C19H20O8	376.11581	76474-68-5	knapsack	NA	NA
+MJ049392	1,2,3,4,6,7-Hexahydroxyxanthone; Hexa-Me ether 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049393	1,2,3,4,6,8-Hexahydroxyxanthone; Hexa-Me ether 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049394	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049395	11-Tridecene-3,5,7,9-tetrayne-1,2,13-triol, 1-O-?-D-Glucopyranoside 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049396	2',5,6,6',7,8-Hexahydroxyflavanone, 2',6,7,8-Tetra-Me ether 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049397	2,3,4,8,9,10-Hexahydroxypterocarpan; 3,4,9,10-Tetra-Me ether 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049398	3',4',5,5',6,7-Hexahydroxyflavanone, 3',4',6,7-Tetra-Me ether 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049399	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049400	6-[2-(4-Hydroxyphenyl)ethenyl]-2H-pyran-2-one, 4'-O-?-D-Glucopyranoside 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049401	Abruquinone A, 8-Hydroxy 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049402	Abruquinone A, 8-Methoxy, 6-O-de-Me 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049403	Abruquinone A, 8-Methoxy, 7-O-de-Me 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049404	Arbutin; 6-O-Benzoyl 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049405	Atranorin; 9-Alcohol 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049406	Atranorin; Parent acid, 9-alcohol, 4-Me ether 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049407	Aviprin, 2'-O-(2-Hydroxypropanoyl) 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049408	Bis(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methane 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049409	Byakangelicin, 2'-Ac 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049410	Clauslactone B 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049411	Heraclenol, 2'-(2-Hydroxypropanoyl) 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049412	Isomycousnine 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049413	Mycousnine 	C19H20O8	376.115817	NA	MeJP	NA	NA
+MJ049414	Placodiolic acid 	C19H20O8	376.115817	NA	MeJP	NA	NA
+PJ000656	NDE 	C13H20N4O9	376.123	NA	PeJP	NA	NA
+PJ000657	GGDE 	C13H20N4O9	376.1231	NA	PeJP	NA	NA
+MJ049415	Lactacystin 	C15H24N2O7S	376.130421	NA	MeJP	NA	NA
+FL2FA9NC0003	5-O-Methylchamanetin	C23H20O5	376.13107	100348-95-6	knapsack	NA	NA
+FL2FA9NS0005	Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether	C23H20O5	376.13107	108544-83-8	knapsack	NA	NA
+MJ049416	14-Hydroxy-5-tetradecene-8,10,12-triynoic acid, 4-Hydroxycinnamoyl(E-) 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049417	14-Hydroxy-5-tetradecene-8,10,12-triynoic acid, 4-Hydroxycinnamoyl(Z-) 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049418	5,7-Dihydroxyflavanone, 7-O-[4-(1-Hydroxyethyl)phenyl] ether 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049419	Chamanetin, 5-Me ether 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049420	Chamanetin, 7-Me ether 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049421	Cudraxanthone A 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049422	Isochamanetin, 7-Me ether 	C23H20O5	376.131073	NA	MeJP	NA	NA
+MJ049423	Thwaitesixanthone 	C23H20O5	376.131073	NA	MeJP	NA	NA
+C01512	Loganate	C16H24O10	376.1369	NA	KEGG	NA	NA
+C11661	7-Epiloganic acid	C16H24O10	376.1369	NA	KEGG	NA	NA
+MJ049424	1,3-Di-O-methyl-myo-inositol; Tetra-Ac 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049425	4-Methylantirrhinoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049426	5,6-Dihydroxyboschnaloside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049427	Adoxosidic acid 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049428	Cachineside IV; 5-Deoxy 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049429	Cachineside IV; 7-Deoxy 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049430	Catalpol; O6-Me 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049431	Guaiacylglycerol, 2-O-?-D-Glucopyranoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049432	Guaiacylglycerol, 3-O-?-D-Glucopyranoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049433	Guaiacylglycerol, 4'-O-?-D-Glucopyranoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049434	Guaiacylglycerol, 1-O-?-D-Glucopyranoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049435	Guaiacylglycerol, 2-O-?-D-Glucopyranoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049436	Loganic acid 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049437	Mussaenosidic acid 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049438	Paeoniflorin; Debenzoyl 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049439	Semperoside; 7?-Hydroxy 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049440	Semperoside; 9?-Hydroxy 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049441	Sweroside; 8,10-Dihydro, 8?-hydroxy 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049442	Tecomoside 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MJ049443	Tuliposide D 	C16H24O10	376.136946	NA	MeJP	NA	NA
+MetaCyc03255	loganate [loganic acid;]	C16H24O10	376.136947	22255-40-9	metacyc	NA	NA
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR372	Riboflavine F1	NA	376.137475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR372	Riboflavine F1	NA	376.137475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR372	Riboflavine F1	NA	376.137475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR372	Riboflavin F1	NA	376.137475	377.144675	Inhouse_sept12	NA	NA
+EUR372	Riboflavine F1	NA	376.137475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR372	Riboflavin F1	HMDB00244_RT6.1_add	376.137475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C07384	Propiomazine hydrochloride	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+C07385	Transferred to D00482	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+C07386	Transferred to D00483	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+C07387	Transferred to D00484	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+C07388	Transferred to D00485	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+C07389	Transferred to D00486	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+C07390	Transferred to D00487	C20H24N2OS	376.1376	NA	KEGG	NA	NA
+CJpos0781	Riboflavin (Vitamin B2) [M+H]+	C17H21O6N4	376.137775	C18rt(min)=5.78 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0781	Riboflavin (Vitamin B2) [M+H]+	C17H21O6N4	376.137775	C18rt(min)=5.78 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00244	Riboflavin	C17H20N4O6	376.138275	NA	HMDB2010	NA	NA
+HMDB00244	Riboflavin	C17H20N4O6	376.13828	http://www.hmdb.ca/metabolites/HMDB00244	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00244	Riboflavin	C17H20N4O6	376.13828	http://www.hmdb.ca/metabolites/HMDB00244	HMDB	NA	NA
+HMDB00244	Riboflavin	C17H20N4O6	376.13828	http://www.hmdb.ca/metabolites/HMDB00244	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00244	Riboflavin	C17H20N4O6	376.13828	HMDB00244	PFEM_hmdb_metabocards_official	NA	NA
+MJ049444	Lyxoflavin 	C17H20N4O6	376.138284	NA	MeJP	NA	NA
+MJ049445	Riboflavine 	C17H20N4O6	376.138284	NA	MeJP	NA	NA
+MJ049446	Riboflavin 	C17H20N4O6	376.138284	NA	MeJP	NA	NA
+MetaCyc03256	riboflavin [vitamin B2;]	C17H20N4O6	376.138284	83-88-5	metacyc	NA	NA
+EUR065	Riboflavin	C17H20N4O6	376.1383	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR639	Riboflavin 	[M+H]+	376.1383	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR065	Riboflavin	C17H20N4O6	376.1383	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR639	Riboflavin 	[M+H]+	376.1383	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR065	Riboflavin	C17H20N4O6	376.1383	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR639	Riboflavin 	[M+H]+	376.1383	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR065	Riboflavin	C17H20N4O6	376.1383	Wishlist	Inhousejuil11	NA	NA
+EUR639	Riboflavin 	[M+H]+	376.1383	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00255	Riboflavin	C17H20N4O6	376.1383	NA	KEGG	NA	NA
+PJ000658	GDW 	C17H20N4O6	376.1383	NA	PeJP	NA	NA
+PJ000659	GPTC 	C14H24N4O6S	376.1417	NA	PeJP	NA	NA
+MJ049447	Mesudipine 	C19H24N2O4S	376.145677	NA	MeJP	NA	NA
+C08747	Ailanthone	C20H24O7	376.1522	NA	KEGG	NA	NA
+C09202	Tripdiolide	C20H24O7	376.1522	NA	KEGG	NA	NA
+C09434	Euparotin	C20H24O7	376.1522	NA	KEGG	NA	NA
+C09448	Eupatundin	C20H24O7	376.1522	NA	KEGG	NA	NA
+MJ049448	1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049449	1,10:2,3-Diepoxy-5,8-dihydroxy-4(15),11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049450	1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-(3-Methyl-2-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049451	1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049452	1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049453	1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049454	1,10:2,3-Diepoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049455	1,2-Epoxy-8,10-dihydroxy-3-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049456	1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 8-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049457	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049458	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 10-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049459	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049460	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 10-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049461	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049462	1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, O1-Me, 8-O-(2-methyl-2-propenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049463	1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049464	1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049465	1-(4-Hydroxy-3-methoxyphenyl)-2-[3-(3-hydroxy-1-propenyl)-5-methoxyphenoxy]-1,3-propanediol 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049466	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049467	1-[4-[4-(3-Hydroxy-1-propenyl)-2-methoxyphenoxy]-3-methoxyphenyl]-1,2,3-propanetriol 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049468	10,14-Epoxy-2,5,8-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049469	10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049470	10,14-Epoxy-8-hydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2Z-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049471	12,14-Dihydroxy-7-oxo-2,3-seco-8,11,13-abietatrien-2,11-olid-3-oic acid 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049472	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 3,4?-Dihydro 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049473	15,16-Epoxy-2-hydroxy-19-nor-6-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, Me ester 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049474	15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadien-2,18:17,12-diolide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049475	15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadiene-17,12:18,6-diolide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049476	15,16-Epoxy-4,19-dihydroxy-13(16),14-clerodadiene-19,6:20,12-diolide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049477	15,16-Epoxy-6,8-dihydroxy-13(16),14-clerodadiene-17,12:18,19-diolide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049478	15,16:18,19-Diepoxy-2,18-dihydroxy-6-oxo-13(16),14-clerodadien-20,12-olide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049479	16-(1-Methyl-1-propenyl)eremantholanolide, 15-Hydroxy 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049480	2',3',4',5',7,8-Hexahydroxyflavan, 3',4',5',7,8-Penta-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049481	2',3',4',5',7,8-Hexahydroxyisoflavan, 2',3',4',5',8-Penta-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049482	2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Me, 8-(2-methylpropenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049483	2,15-Dihydroxy-4,9,11(13)-germacratriene-12,6:14,8-diolide, 2-(2-Methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049484	2,15:4,5-Diepoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 15-Me ether, 8-(2-methylpropenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049485	2,8,9-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-(Hydroxymethyl)-2-butenoyl](E-) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049486	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Ketone, 8-angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049487	3,10-Epoxy-3,8,15-trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049488	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049489	3,10-Epoxy-5,8-dihydroxy-1-oxo-2,4(15),11(13)-germacratrien-12,6-olide, 8-O-(3-Methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049490	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049491	3,10-Epoxy-8,15-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049492	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049493	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-(2-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049494	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049495	3,3',4,4',7,7'-Hexahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049496	3,3',4,4',7,8-Hexahydroxyflavan, 3',4,4',7,8-Penta-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049497	3,3',4,4',7,8-Hexahydroxyflavan, 3,3',4',7,8-Penta-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049498	3,3',4,4',8,9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049499	3,3',4,4',9,9'-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049500	3,4-Epoxy-2,5,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049501	3,4-Epoxy-2,8,9-trihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049502	3,4-Epoxy-5,8,9-trihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-(3-Methyl-2-butenyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049503	3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049504	3,8,10-Trihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049505	4,10:15,16-Diepoxy-6,18,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049506	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049507	4,8,9-Trihydroxy-14-oxo-11(13)-guaiaen-12,6-olide, 10-Carboxylic acid, 10?4 lactone, 8-angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049508	5,10-Epoxy-8,15-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049509	5,8,9-Trihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 9-Me ether, 8-O-(2-methyl-2-propenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049510	5-Hydroxy-2,2,8-trimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 2',3'-Dihydro, 1',2',3'-trihydroxy 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049511	6,12,19-Trihydroxy-11,14-dioxo-8,12-abietadien-20,7-olide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049512	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049513	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 9-angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049514	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1R,2-Epoxide, 6-angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049515	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049516	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049517	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049518	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-Tigloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049519	8,10,15-Trihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049520	8,12:15,16-Diepoxy-2-hydroxy-19-nor-13(16),14-clerodadien-17,6-olid-18-oic acid, Me ester 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049521	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 15-aldehyde, 8-(3,4-dihydroxy-2-methylenebutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049522	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049523	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylpropenoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049524	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049525	9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 1S,2-Epoxide, 9-(2-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049526	9-Hydroxy-3,11(13)-elemadiene-12,8;15,6-diolide, 1S,2-Epoxide, 9-(3-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049527	Arnottinin; ?3',5'-Isomer, 1',2'-dihydroxy, 7-Me ether, 4'-O-(3-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049528	Bipinnatolide I; 4,18-Didehydro, 11?,12?-epoxide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049529	Bipinnatolide I; 4,5-Didehydro, 11?,12?-epoxide 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049530	Carissanol 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049531	Casegravol; 1',2'-Epoxide, 4'-O-(3-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049532	Chaparrin; 13,18-Didehydro, 2-ketone 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049533	Cneorumchromene E 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049534	Cycloolivil 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049535	Daldinal C 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049536	Eufoliatorin 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049537	Grandmarin, 3'-O-(3-Methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049538	Jamesoniellide G 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049539	Murrangatin, 5'-Hydroxy, 5'-O-(3-methylbutanoyl) 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049540	Nagilactone I 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049541	Neoolivil 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049542	Norauricepyrone 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049543	Olivil 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049544	Phloraspyrone 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049545	Salignone K; 7-Deoxy 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049546	Shinjudilactone 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049547	Triptolide; 16-Hydroxy 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049548	Triptolide; 2?-Hydroxy 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049549	Triptolidenol 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049550	Zinaflorin IV 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049551	?-Intermedianol; 7,9'-Di-O-de-Me 	C20H24O7	376.152203	NA	MeJP	NA	NA
+MJ049552	Picotamide 	C21H20N4O3	376.15354	NA	MeJP	NA	NA
+MJ049553	N-[4-[1-Hydroxy-2-[4-(4-pyridinyl)-1-piperazinyl]ethyl]phenyl]methanesulfonamide 	C18H24N4O3S	376.156911	NA	MeJP	NA	NA
+MJ049554	10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone 	C26H20N2O	376.157563	NA	MeJP	NA	NA
+C13779	XE991	C26H20N2O	376.1576	NA	KEGG	NA	NA
+PJ000660	TQE 	C14H24N4O8	376.1594	NA	PeJP	NA	NA
+MJ049555	Fusarochromanone; N3',O4'-Di-Ac 	C19H24N2O6	376.163436	NA	MeJP	NA	NA
+MJ049556	Artocarpol D 	C24H24O4	376.167459	NA	MeJP	NA	NA
+MJ049557	Decarboxycalophyllic acid 	C24H24O4	376.167459	NA	MeJP	NA	NA
+MJ049558	Kanzonol V 	C24H24O4	376.167459	NA	MeJP	NA	NA
+PJ000661	SDR 	C13H24N6O7	376.1707	NA	PeJP	NA	NA
+MJ049559	2-O-Acetyl-6-O-(2-methylbutanoyl)-1-O-(2-methylpropanoyl)-?-D-glucopyranose 	C17H28O9	376.173332	NA	MeJP	NA	NA
+MJ049560	Ajureptoside 	C17H28O9	376.173332	NA	MeJP	NA	NA
+PJ000662	ATW 	C18H24N4O5	376.1747	NA	PeJP	NA	NA
+PJ000663	VQM 	C15H28N4O5S	376.1781	NA	PeJP	NA	NA
+MJ049561	Leuconotis Alkaloid 376 	C23H24N2O3	376.178692	NA	MeJP	NA	NA
+MJ049562	Clomegestone 	C22H29ClO3	376.180522	NA	MeJP	NA	NA
+MJ049563	Spongiaquinone; 1'-Deoxy, 11-chloro, 9(11)E-isomer 	C22H29ClO3	376.180522	NA	MeJP	NA	NA
+MetaCyc03257	4-[N-&gamma;-L-glutamyl-)-p-(&beta;-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furan []	C19H26N3O5	376.187246	NA	metacyc	NA	NA
+MJ049564	1,10-Epoxyfuranoeremophilane-3,6-diol, 6-(2-Methylpropanoyl), 3-Ac 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049565	1-(3,4-Dihydroxyphenyl)-1-propanol, 3',4'-Di-Me ether, 1-O-[2-(2-methyl-2-butenoyloxymethyl)-2-butenoyl] (Z,Z-) 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049566	11,12,14,15-Tetrahydroxy-7-oxo-8,11,13-abietatrien-20-al; 12-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049567	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; 20-Hydroxy, 12-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049568	11,17,21-Trihydroxy-3,20-dioxopregn-4-en-18-al 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049569	11,20-Epoxy-7,11,14-trihydroxy-15-oxo-16-kauren-18-al, 11-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049570	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 2-Me ether, 6-angeloyl 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049571	3,3',4,4',5,5'-Hexahydroxylignan, 3,3',5-Tri-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049572	3,4-Seco-4(18),13-halimadiene-16,15:20,5-diolid-3-oic acid, Me ester 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049573	3,6,8-Trihydroxy-1(10),7(11)-eremophiladien-12,8-olide, 8-Me ether, 6-angeloyl 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049574	3,6:15,16-Diepoxy-4-hydroxy-6-methoxy-13(16),14-clerodadien-20,12-olide 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049575	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 3-Ac 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049576	6,17,21-Trihydroxypregn-4-ene-3,11,20-trione 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049577	6,7,11,12,16-Pentahydroxy-8,11,13-abietatrien-20-oic acid, 20?6 Lactone, 7-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049578	6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione, 6-Formyl 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049579	6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Formyl 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049580	7,20-Epoxy-6,7,17-trihydroxy-2-kaurene-1,15-dione, 17-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049581	8,12-Dihydroxy-4-isocedren-15,14-olide; 8-O-(2-Methylpropanoyl), 12-Ac 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049582	9,10-Epoxy-p-mentha-1,3,5-triene-2,5,8-triol; 2-Me ether, 5-tigloyl, 8-(3-methylbutanoyl) 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049583	Amphidinolide O 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049584	Antibiotic WF 14919A 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049585	Canellin A 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049586	Coleon Q; 12-De-Ac, 7-formyl 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049587	Cuneifolin 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049588	Glaucogenin A 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049589	Glaucogenin C; 7?-Hydroxy 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049590	Hyperireflexolide A 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049591	Jamesoniellide A 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049592	Jamesoniellide J 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049593	Javanicin B 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049594	Javanicin L; 14,15-Didehydro, 16-ketone 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049595	Lanugone F; 7-O-Formyl 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049596	Morinin A; 5'-(3-Methylbutanoyloxy), 3-methoxy 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049597	Nigakilactone A; 11-Ketone 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049598	Nigakilactone A; 12-Epimer, 13,18-didehydro 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049599	Nodosin; 6,11-Diepimer, O6-Me 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049600	Nodosin; O6-Me 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049601	Oxisopred 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049602	Picrasin B 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049603	Promalabaricone B; 3'-Hydroxy 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049604	Rhipocephalin 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049605	Rosmanol; 14-Hydroxy, 7-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+MJ049606	Shikodonin; 6-Me ether 	C21H28O6	376.188588	NA	MeJP	NA	NA
+HMDB00332	18-Oxocortisol	C21H28O6	376.188599	NA	HMDB2010	NA	NA
+HMDB00332	18-Oxocortisol	C21H28O6	376.1886	http://www.hmdb.ca/metabolites/HMDB00332	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00332	18-Oxocortisol	C21H28O6	376.1886	http://www.hmdb.ca/metabolites/HMDB00332	HMDB	NA	NA
+C09714	Rhipocephalin	C21H28O6	376.1886	NA	KEGG	NA	NA
+C17050	Picrasin B	C21H28O6	376.1886	NA	KEGG	NA	NA
+HMDB00332	18-Oxocortisol	C21H28O6	376.1886	http://www.hmdb.ca/metabolites/HMDB00332	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00332	18-Oxocortisol	C21H28O6	376.1886	HMDB00332	PFEM_hmdb_metabocards_official	NA	NA
+PJ000664	AMR 	C14H28N6O4S	376.1893	NA	PeJP	NA	NA
+MJ049607	Mirfentanil 	C22H24N4O2	376.189926	NA	MeJP	NA	NA
+MJ049608	N-[2-(Dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide 	C22H24N4O2	376.189926	NA	MeJP	NA	NA
+MJ049609	Etisulergine 	C19H28N4O2S	376.193296	NA	MeJP	NA	NA
+PJ000665	TKE 	C15H28N4O7	376.1958	NA	PeJP	NA	NA
+3304	NA	LLPHHH	376.197	MH2+	Inhouse_peptide	NA	peptide
+C06977	Enalapril	C20H28N2O5	376.1998	NA	KEGG	NA	NA
+C08021	Remifentanil	C20H28N2O5	376.1998	NA	KEGG	NA	NA
+MJ049610	Enalaprilat; Et ester 	C20H28N2O5	376.199822	NA	MeJP	NA	NA
+MJ049611	Remifentanil 	C20H28N2O5	376.199822	NA	MeJP	NA	NA
+FL1C19NI0004	Spinochalcone A	C25H28O3	376.20384	52601-08-8	knapsack	NA	NA
+FL2F19NI0002	Ovaliflavanone A	C25H28O3	376.20384	59920-27-3	knapsack	NA	NA
+MJ049612	2',4'-Dihydroxy-3',5'-diprenylchalcone 	C25H28O3	376.203844	NA	MeJP	NA	NA
+MJ049613	7-Hydroxy-6,8-diprenylflavanone 	C25H28O3	376.203844	NA	MeJP	NA	NA
+MJ049614	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3-Benzoyl 	C25H28O3	376.203844	NA	MeJP	NA	NA
+MJ049615	Etofenprox 	C25H28O3	376.203844	NA	MeJP	NA	NA
+MJ049616	Desoximetasone 	C22H29FO4	376.204987	NA	MeJP	NA	NA
+MJ049617	Doxibetasol 	C22H29FO4	376.204987	NA	MeJP	NA	NA
+MJ049618	Fluocortolone 	C22H29FO4	376.204987	NA	MeJP	NA	NA
+MJ049619	Fluorometholone 	C22H29FO4	376.204987	NA	MeJP	NA	NA
+C15329	21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-	C22H29FO4	376.205	NA	KEGG	NA	NA
+PJ000666	TTR 	C14H28N6O6	376.207	NA	PeJP	NA	NA
+C14973	17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate	C22H32O3S	376.2072	NA	KEGG	NA	NA
+PJ000667	VKM 	C16H32N4O4S	376.2144	NA	PeJP	NA	NA
+MJ049620	N-[2-(6,7-Dihydro-11-methoxy-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide 	C24H28N2O2	376.215078	NA	MeJP	NA	NA
+MJ049621	Fenaperone 	C21H29FN2O3	376.216221	NA	MeJP	NA	NA
+MJ049622	Lincomycin; 1-De(methylthio), 1-hydroxy 	C17H32N2O7	376.220951	NA	MeJP	NA	NA
+MJ049623	1,3-Dihydroxy-8,17-sacculatadien-11,12-olide, 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049624	1,7,14-Trihydroxy-16-kauren-15-one, 14-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049625	1,7,14-Trihydroxy-16-kauren-15-one, 7-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049626	1,8-Dihydroxy-11-eremophilen-9-one, 8-Angeloyl, 1-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049627	1,8-Dihydroxy-11-eremophilen-9-one, 8-Tigloyl, 1-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049628	10(20),15-Grayanotoxadiene-3,5,6,14-tetrol, 14-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049629	10(20),15-Grayanotoxadiene-3,5,6,14-tetrol, ?16-Isomer,14-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049630	11,13,19-Trihydroxy-16-kauren-15-one, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049631	11,14-Dihydroxy-12-spongien-16-one, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049632	11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049633	11,15-Dihydroxy-9-oxo-5,13-prostadienoic acid, 1,15-Lactone, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049634	11,16-Epoxy-1,3-dihydroxy-6-kauranone, 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049635	11-Hydroxy-15-nor-14-oxo-12-isocopalen-16-oic acid; 11?-form, Ac, Me ester 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049636	12,20-Epoxy-11,13-dihydroxy-3,14-clerodadien-2-one, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049637	15,16-Dihydroxy-3-erythroxylene-2,7-dione, 16-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049638	15,16-Epoxy-12-cleistathen-11-one, 17-Acetoxy, 14?-hydroxy 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049639	15,16-Epoxy-3,9-dihydroxy-13(16),14-labdadien-7-one; 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049640	15,16-Epoxy-8,9-dihydroxy-13(16),14-labdadien-7-one, 8-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049641	15,16-Epoxy-9(11)-isoparguerene-2,4,7-triol, 2-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049642	15,16-Epoxy-9(11)-parguerene-2,7,19-triol, 2-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049643	15,17-Epoxy-17-hydroxy-16-spongianone; 17?-form, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049644	16-Hydroxy-17-oxo-6,13-labdadien-15-oic acid, 16-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049645	16-Hydroxy-6-oxo-7,13-labdadien-15-oic acid, 16-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049646	16-Hydroxy-8(17),13-labdadien-15,16-olid-18-oic acid, 16-Ketone-15?-alcohol (lactol), Me ether, Me ester 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049647	16-Kaurene-3,11,13,15-tetrol, 15-Ketone, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049648	18-Hydroxy-3-oxo-8(17),13-labdadien-15-oic acid, 18-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049649	19-Hydroxy-3-oxo-17-kauranoic acid, 19-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049650	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 2-Ketone, 16-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049651	2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 2-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049652	2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 5-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049653	2,7-Dihydroxy-3,13-clerodadien-15-oic acid, 2-Ketone, 7-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049654	2,9,20-Trihydroxy-4,11-taxadien-13-one, 9-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049655	2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol, 4-Ketone, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049656	3,19-Dihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 19-aldehyde, 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049657	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-Angeloyl, 4-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049658	3,4-Dihydroxy-7,11,15(17)-cembratrien-16,14-olide; 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049659	3,4-Epoxy-11-hydroxy-7,15(17)-cembradien-16,12-olide, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049660	3,4-Epoxy-13-hydroxy-7,15(17)-cembradien-16,14-olide, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049661	3,4-Epoxy-6-hydroxy-12,14-clerodadien-20-oic acid, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049662	3,7,11-Trihydroxy-16-kauren-15-one, 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049663	3,7,14-Trihydroxy-16-kauren-15-one, 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049664	4(15)-Germacrene-6,8,10-triol; 8-(4-Hydroxybenzoyl) 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049665	4(3?2)-Abeo-7-hydroxy-3-oxo-2(4),13-clerodadien-15-oic acid, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049666	4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac, 8-angeloyl 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049667	4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac, 9-angeloyl 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049668	4,13-Dihydroxy-1,14-crenuladien-19,18-olide, 4-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049669	4,14-Dihydroxy-1,12-crenuladien-19,18-olide, 4-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049670	4,14-Dihydroxy-7,11,15(17)-cembratrien-16,3-olide, 14-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049671	4,17-Dihydroxy-1(9),6,13-xenicatriene-18,19-dial, 17-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049672	4,18-Epoxy-6-hydroxy-13-cleroden-15,16-olide, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049673	4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol, 2-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049674	4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-butenoyl), 4-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049675	4,9-Dihydroxy-10(14)-oplopen-3-one, 9-Angeloyl, 4-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049676	4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid; 10',11'-Dihydroxy, 10',11'-dihydro 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049677	4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzoic acid; 6',7'-Dihydroxy, 6',7'-dihydro 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049678	4-Hydroxycrenulide; 17-Acetoxy 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049679	4-Hydroxycrenulide; 18?-Hydroxy, 4-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049680	6,17-Dihydroxy-14,15-dinor-7,11-labdadien-13-one, Di-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049681	6-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide, 6-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049682	7,20-Epoxy-1,14,20-trihydroxy-16-kauren-15-one, 20-Et (20S-) 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049683	7,20-Epoxy-16-kaurene-6,7,15-triol, 6-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049684	8,10-Dihydroxy-5-longipinanone, 10-Angeloyl, 8-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049685	8,11-Dihydroxy-4-guaien-3-one, 8-Angeloyl, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049686	8,12-Epoxy-16-hydroxy-14-oxo-12-labden-15-al, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049687	9,11,15-Trihydroxyprosta-5,13,17-trienoic acid, 1,15-Lactone, 11-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049688	9,11-Epoxy-1,6-dihydroxy-16-kauren-15-one, 16?,17-Dihydro, 1-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049689	9,13:15,16-Diepoxy-6-hydroxy-14-labden-7-one, Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049690	9,13:15,16-Diepoxy-8-hydroxy-14-labden-7-one, 8-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049691	9,15-Dihydroxy-16-kauren-19-oic acid, 9-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049692	Aplyviolene 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049693	Cadlinolide B; ?7,8-Isomer, Ac (16?-) 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049694	Cadlinolide B; ?8,14-Isomer, Ac (16?-) 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049695	Cadlinolide B; Ac (16?-) 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049696	Chelonaplysin C 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049697	Cheloviolin 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049698	Coetsoidin C; O-De-Me, O20-Et 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049699	Dendrillolide A 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049700	Dendrillolide E 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049701	Furanoeremophilane-3,6-diol, 6-(2-Methylbutanoyl), 3-Ac 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049702	Furodivaricatic acid 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049703	Haliangicin 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049704	Hyatoquinone 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049705	Hypoestoxide 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049706	Ichthyouleolide; 19-Acetoxy 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049707	Jerangolide A 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049708	Macfarlandin C 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049709	Macfarlandin D 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049710	Macrophorin A; 3?-Hydroxy 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049711	Myricoidiol 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049712	Norrisolide 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049713	Polyrhaphin C 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049714	Precalyone 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049715	Prehumulone 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049716	Sarcodontic acid 	C22H32O5	376.224974	NA	MeJP	NA	NA
+MJ049717	Shahamin F 	C22H32O5	376.224974	NA	MeJP	NA	NA
+HMDB02294	Resolvin D2	C22H32O5	376.224976	NA	HMDB2010	NA	NA
+HMDB03733	Resolvin D1	C22H32O5	376.224976	NA	HMDB2010	NA	NA
+HMDB11652	11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid	C22H32O5	376.224976	NA	HMDB2010	NA	NA
+HMDB02294	Resolvin D2	C22H32O5	376.22498	http://www.hmdb.ca/metabolites/HMDB02294	HMDB	NA	NA
+HMDB03733	Resolvin D1	C22H32O5	376.22498	http://www.hmdb.ca/metabolites/HMDB03733	HMDB	NA	NA
+HMDB02294	Resolvin D2	C22H32O5	376.22498	HMDB02294	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03733	Resolvin D1	C22H32O5	376.22498	HMDB03733	PFEM_hmdb_metabocards_official	NA	NA
+C18178	Resolvin D1	C22H32O5	376.225	NA	KEGG	NA	NA
+C18179	Resolvin D2	C22H32O5	376.225	NA	KEGG	NA	NA
+MJ049718	Erocainide 	C22H33ClN2O	376.228141	NA	MeJP	NA	NA
+MJ049719	7-Megastigmene-3,9-diol, 7,8-Dihydro, 3-O-?-D-glucopyranoside 	C19H36O7	376.246103	NA	MeJP	NA	NA
+MJ049720	3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone 	C25H32N2O	376.251463	NA	MeJP	NA	NA
+HMDB11550	MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C23H36O4	376.261353	NA	HMDB2010	NA	NA
+HMDB11580	MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)	C23H36O4	376.261353	NA	HMDB2010	NA	NA
+MJ049721	13-Thyrsifloranol; 13?-form, Malonyl 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049722	15-Hydroxy-1(10),13-halimadien-18-oic acid, Propanoyl 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049723	3-Heptadecyl-2,5-dihydroxybenzoquinone; 8',9'Z-Didehydro 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049724	5-Pentadecyl-1,3-benzenediol; 10'-Acetoxy, 8',9'-didehydro 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049725	7,13-Labdadien-15-ol, Hydrogen malonoyl ester 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049726	Buxapapillosin 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049727	Epiplakinic acid E; Me ester 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049728	Gingerdiones; [12]Gingerdione 	C23H36O4	376.261359	NA	MeJP	NA	NA
+MJ049729	Plakoric acid 	C23H36O4	376.261359	NA	MeJP	NA	NA
+C15157	3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate	C23H36O4	376.2614	NA	KEGG	NA	NA
+C15346	5alpha-Androstane-3beta,17beta-diol diacetate	C23H36O4	376.2614	NA	KEGG	NA	NA
+MJ049730	Fenetradil 	C22H36N2O3	376.272593	NA	MeJP	NA	NA
+MJ049731	Kalihinene; 10,15-Bis-formamide 	C22H36N2O3	376.272593	NA	MeJP	NA	NA
+MetaCyc03258	phytyl monophosphate [phytolmonophosphate;]	C20H41O4P1	376.274246	NA	metacyc	NA	NA
+MJ049732	10'-Apo-?-caroten-10'-ol; 10'-Aldehyde 	C27H36O	376.276615	NA	MeJP	NA	NA
+MJ049733	Lauroguadine 	C20H36N6O	376.295059	NA	MeJP	NA	NA
+C03990	3alpha-Hydroxy-5beta-cholanate	C24H40O3	376.2977	NA	KEGG	NA	NA
+C17658	Isolithocholate	C24H40O3	376.2977	NA	KEGG	NA	NA
+MJ049734	3alpha-Hydroxy-5beta-cholanate 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049735	1-(4-Hydroxyphenyl)-5-octadecanone; 3'-Hydroxy 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049736	2-(4-Hydroxyphenyl)ethanol; 1-O-Hexadecanoyl 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049737	2-Heptadecyl-6-hydroxybenzoic acid 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049738	20,21,22,23,24,25,26,27-Octanordammarane-3,17-diol, 3-Ac 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049739	20-Hydroxy-4,8,13,17-tetramethyl-4,8,12,16-eicosatetraenoic acid 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049740	3-Heptadecyl-2,5-dihydroxybenzoquinone; 2-Deoxy, 5-Me ether 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049741	3-Hydroxy-2-(1-oxo-9-octadecenyl)-2-cyclohexen-1-one 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049742	3-Hydroxycholan-24-oic acid 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049743	5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049744	7,14-Labdadiene-6,13-diol, 6-Butanoyl 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049745	Capiquinones; Capiquinone A 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049746	Conulosin A 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049747	Conulosin B 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MJ049748	Pinane thromboxane A2 	C24H40O3	376.297745	NA	MeJP	NA	NA
+MetaCyc03259	3-&alpha;-hydroxy-5-&beta;-cholanate []	C24H40O3	376.297745	434-13-9	metacyc	NA	NA
+HMDB00761	Lithocholic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB00761	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00381	Allolithocholic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB00381	HMDB	NA	NA
+HMDB00713	Isoallolithocholic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB00713	HMDB	NA	NA
+HMDB00717	Isolithocholic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB00717	HMDB	NA	NA
+HMDB00761	Lithocholic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB00761	HMDB	NA	NA
+HMDB02431	12b-Hydroxy-5b-cholanoic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB02431	HMDB	NA	NA
+HMDB02492	7a-hydroxy-5b-cholanic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB02492	HMDB	NA	NA
+HMDB00761	Lithocholic acid	C24H40O3	376.29776	http://www.hmdb.ca/metabolites/HMDB00761	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00381	Allolithocholic acid	C24H40O3	376.29776	HMDB00381	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00713	Isoallolithocholic acid	C24H40O3	376.29776	HMDB00713	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00717	Isolithocholic acid	C24H40O3	376.29776	HMDB00717	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00761	Lithocholic acid	C24H40O3	376.29776	HMDB00761	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02431	12b-Hydroxy-5b-cholanoic acid	C24H40O3	376.29776	HMDB02431	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02492	7a-hydroxy-5b-cholanic acid	C24H40O3	376.29776	HMDB02492	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00381	Allolithocholic acid	C24H40O3	376.29776	NA	HMDB2010	NA	NA
+HMDB00713	Isoallolithocholic acid	C24H40O3	376.29776	NA	HMDB2010	NA	NA
+HMDB00717	Isolithocholic acid	C24H40O3	376.29776	NA	HMDB2010	NA	NA
+HMDB00761	Lithocholic acid	C24H40O3	376.29776	NA	HMDB2010	NA	NA
+HMDB02431	12b-Hydroxy-5b-cholanoic acid	C24H40O3	376.29776	NA	HMDB2010	NA	NA
+HMDB02492	7a-Hydroxy-5b-cholanic acid	C24H40O3	376.29776	NA	HMDB2010	NA	NA
+MJ049749	24,25-Dinor-1,3,5(10),12-oleanatetraene 	C28H40	376.313001	NA	MeJP	NA	NA
+MJ049750	24,25-Dinor-1,3,5(10),12-ursatetraene 	C28H40	376.313001	NA	MeJP	NA	NA
+MJ049751	24,25-Dinor-1,3,5(10),9(11)-arborinatetraene 	C28H40	376.313001	NA	MeJP	NA	NA
+MJ049752	17-Cheilanthene-6,13,19-triol, 6-Deoxy 	C25H44O2	376.33413	NA	MeJP	NA	NA
+MJ049753	5-Nonadecyl-1,3-benzenediol 	C25H44O2	376.33413	NA	MeJP	NA	NA
+MJ049754	3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me 	C24H44N2O	376.345364	NA	MeJP	NA	NA
+MJ049755	1,18-Heptacosadiene 	C27H52	376.406901	NA	MeJP	NA	NA
+MJ049756	5,9-Heptacosadiene 	C27H52	376.406901	NA	MeJP	NA	NA
+MJ049757	6,9-Heptacosadiene 	C27H52	376.406901	NA	MeJP	NA	NA
+MJ049758	7,11-Heptacosadiene 	C27H52	376.406901	NA	MeJP	NA	NA
+MJ049759	9,13-Heptacosadiene 	C27H52	376.406901	NA	MeJP	NA	NA
+2646	synthetic fr, of human beta-CN (192-197) ACE inhibitor	PHQIYP	376.6835	MH2+	Inhouse_peptide	NA	peptide
+MJ049760	[8-Carboxylato-1,9-dimercapto-2,6-dioxo-3,7-diazanonanato]oxotechnetate(V)(1-) 	C8H10N2O5S2Tc(-)	376.918153	NA	MeJP	NA	NA
+MJ049761	Fursalan 	C12H13Br2NO3	376.926218	NA	MeJP	NA	NA
+MJ049762	Arsenamide 	C11H12AsNO5S2	376.937285	NA	MeJP	NA	NA
+MJ049763	Dembrexine 	C13H17Br2NO2	376.962604	NA	MeJP	NA	NA
+MJ049764	Diaquabis(2-hydroxybenzoato-O1,O2)oxovanadium(IV) 	C14H14O9V	377.007745	NA	MeJP	NA	NA
+C17275	Glucosisymbrin	C10H19NO10S2	377.045	NA	KEGG	NA	NA
+MJ049765	2-Hydroxy-1-methylethyl glucosinolate 	C10H19NO10S2	377.045037	NA	MeJP	NA	NA
+MJ049766	2-Hydroxypropyl glucosinolate 	C10H19NO10S2	377.045037	NA	MeJP	NA	NA
+MJ049767	3-Hydroxypropyl glucosinolate 	C10H19NO10S2	377.045037	NA	MeJP	NA	NA
+MetaCyc03260	3-hydroxypropyl-glucosinolate []	C10H19N1O10S2	377.045037	NA	metacyc	NA	NA
+MJ049768	Antibiotic RIT 2214 	C13H19N3O6S2	377.071526	NA	MeJP	NA	NA
+MJ049769	Sparsomycin; S15-Oxide (R-) 	C13H19N3O6S2	377.071526	NA	MeJP	NA	NA
+MJ049770	Sparsomycin; S15-Oxide (S-) 	C13H19N3O6S2	377.071526	NA	MeJP	NA	NA
+MJ049771	Sporoxomycin A1 	C13H19N3O6S2	377.071526	NA	MeJP	NA	NA
+MJ049772	Oxychelirubine 	C21H15NO6	377.089937	NA	MeJP	NA	NA
+MJ049773	Chelirubine; 5-Hydroxy 	C21H16NO6(+)	377.089937	NA	MeJP	NA	NA
+MJ049774	4-[5-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-4-yl]pyridine; S-Oxide 	C21H16FN3OS	377.099811	NA	MeJP	NA	NA
+MJ049775	Ronifibrate 	C19H20ClNO5	377.103	NA	MeJP	NA	NA
+PJ000668	DDE 	C13H19N3O10	377.1071	NA	PeJP	NA	NA
+C12198	6-(2-Hydroxyethyl)-5,6-dihydrosanguinarine	C22H19NO5	377.1263	NA	KEGG	NA	NA
+MJ049776	Ethoxydihydrosanguinarine 	C22H19NO5	377.126322	NA	MeJP	NA	NA
+MJ049777	Piscerythoxazole 	C22H19NO5	377.126322	NA	MeJP	NA	NA
+MJ049778	Chelilutine 	C22H20NO5(+)	377.126322	NA	MeJP	NA	NA
+MJ049779	Sanguirubine 	C22H20NO5(+)	377.126322	NA	MeJP	NA	NA
+MetaCyc03261	kinetin-9-N-glucoside []	C16H19N5O6	377.133533	NA	metacyc	NA	NA
+MetaCyc03262	kinetin-7-N-glucoside []	C16H19N5O6	377.133533	NA	metacyc	NA	NA
+HMDB12243	Kinetin-7-N-glucoside	C16H19N5O6	377.133545	NA	HMDB2010	NA	NA
+HMDB12244	Kinetin-9-N-glucoside	C16H19N5O6	377.133545	NA	HMDB2010	NA	NA
+PJ000669	NNM 	C13H23N5O6S	377.1369	NA	PeJP	NA	NA
+MJ049780	Euxylophoricine D 	C21H19N3O4	377.137556	NA	MeJP	NA	NA
+CJpos0782	Riboflavin (Vitamin B2) [M+H]+ (13C)	C16[13]CH21O6N4	377.141075	C18rt(min)=5.78 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0782	Riboflavin (Vitamin B2) [M+H]+ (13C)	C16[13]CH21O6N4	377.141075	C18rt(min)=5.78 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ000670	TEE 	C14H23N3O9	377.1434	NA	PeJP	NA	NA
+MJ049781	Risotilide 	C15H27N3O4S2	377.144297	NA	MeJP	NA	NA
+PJ000671	PMM 	C15H27N3O4S2	377.1443	NA	PeJP	NA	NA
+MJ049782	Galasine 	C19H23NO7	377.147452	NA	MeJP	NA	NA
+MJ049783	Galwesine; 16-Hydroxy 	C19H23NO7	377.147452	NA	MeJP	NA	NA
+PJ000672	GSSQ 	C13H23N5O8	377.1547	NA	PeJP	NA	NA
+MJ049784	Thiocarbanidin 	C22H23N3OS	377.156183	NA	MeJP	NA	NA
+PJ000673	PDF 	C18H23N3O6	377.1587	NA	PeJP	NA	NA
+MJ049785	Methionylserylleucineyl 	C15H27N3O6S	377.162056	NA	MeJP	NA	NA
+PJ000674	VEM 	C15H27N3O6S	377.1621	NA	PeJP	NA	NA
+MJ049786	Cryptopleuridine 	C23H23NO4	377.162708	NA	MeJP	NA	NA
+MJ049787	Severifoline; 11-Hydroxy 	C23H23NO4	377.162708	NA	MeJP	NA	NA
+MJ049788	Domitroban 	C20H27NO4S	377.166079	NA	MeJP	NA	NA
+MJ049789	Sulfinalol 	C20H27NO4S	377.166079	NA	MeJP	NA	NA
+MJ049790	N-[4-[2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl]-2-benzothiazolamine 	C21H23N5S	377.167416	NA	MeJP	NA	NA
+PJ000675	CQK 	C14H27N5O5S	377.1733	NA	PeJP	NA	NA
+35	Collagen	GFXGTXGLXGF	377.177	MH2+	Inhouse_peptide	NA	peptide
+MJ049791	Rhizobactin 	C15H27N3O8	377.179814	NA	MeJP	NA	NA
+3505	ACE inhibitor (beta-CN fr,59-61)	VYP	377.183	ACE inhibitor	Inhouse_peptide	NA	peptide
+7634	ACE inhibitor from k-CN (fr, 21-23)	YVP	377.183	antioxidative	Inhouse_peptide	NA	peptide
+MJ049792	Acutudaurine 	C20H27NO6	377.183837	NA	MeJP	NA	NA
+MJ049793	Hernandine; 7(or 8)-Me ether 	C20H27NO6	377.183837	NA	MeJP	NA	NA
+MJ049794	Longanine; 4-Me ether 	C20H27NO6	377.183837	NA	MeJP	NA	NA
+MJ049795	Miersine 	C20H27NO6	377.183837	NA	MeJP	NA	NA
+MJ049796	Senecionine; 15E-Isomer, O-Ac 	C20H27NO6	377.183837	NA	MeJP	NA	NA
+MJ049797	Pyrimidifen 	C20H28ClN3O2	377.187004	NA	MeJP	NA	NA
+MJ049798	Cinuperone 	C23H24FN3O	377.19034	NA	MeJP	NA	NA
+PJ000676	GSSK 	C14H27N5O7	377.1911	NA	PeJP	NA	NA
+MJ049799	Murocainide 	C19H27N3O5	377.19507	NA	MeJP	NA	NA
+PJ000677	PVY 	C19H27N3O5	377.1951	NA	PeJP	NA	NA
+MJ049800	Etoperidone 	C19H28ClN5O	377.198238	NA	MeJP	NA	NA
+MJ049801	4-Benzyl-3,6-tropanediol, 3-(E-Cinnamoyl) 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049802	Cryptopleurine 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049803	Dioncophylline A 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049804	Dioncophylline B; 1-Epimer, 8-Me ether 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049805	Glycocitrine VI 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049806	Hypoestestatin 2; Deoxy 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049807	Murrayaquinone D; Me ether 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+MJ049808	Paxinorol 	C24H27NO3	377.199093	NA	MeJP	NA	NA
+C10586	Cryptopleurine	C24H27NO3	377.1991	NA	KEGG	NA	NA
+C12336	Dioncophylline A	C24H27NO3	377.1991	NA	KEGG	NA	NA
+PJ000678	CKK 	C15H31N5O4S	377.2097	NA	PeJP	NA	NA
+MJ049809	Antibiotic R 39MF 	C23H27N3O2	377.210327	NA	MeJP	NA	NA
+MJ049810	Cyclocelabenzine 	C23H27N3O2	377.210327	NA	MeJP	NA	NA
+MJ049811	Isocyclocelabenzine 	C23H27N3O2	377.210327	NA	MeJP	NA	NA
+MJ049812	Margaritarine 	C23H27N3O2	377.210327	NA	MeJP	NA	NA
+MJ049813	Morazone 	C23H27N3O2	377.210327	NA	MeJP	NA	NA
+MJ049814	Quilostigmine 	C23H27N3O2	377.210327	NA	MeJP	NA	NA
+8293	Fatty acid synthase inhibitor	KNPQLR	377.21595	MH2+	Inhouse_peptide	NA	peptide
+MJ049815	Heteratisine; O-De-Me 	C21H31NO5	377.220223	NA	MeJP	NA	NA
+MJ049816	4-(Diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine 	C22H27N5O	377.22156	NA	MeJP	NA	NA
+MJ049817	Metoquizine 	C22H27N5O	377.22156	NA	MeJP	NA	NA
+PJ000679	VLF 	C20H31N3O4	377.2315	NA	PeJP	NA	NA
+MJ049818	Aurachin F 	C25H31NO2	377.235479	NA	MeJP	NA	NA
+MJ049819	Famprofazone 	C24H31N3O	377.246712	NA	MeJP	NA	NA
+MJ049820	Homopipramol 	C24H31N3O	377.246712	NA	MeJP	NA	NA
+C08693	Karakoline	C22H35NO4	377.2566	NA	KEGG	NA	NA
+MJ049821	Aconosine 	C22H35NO4	377.256608	NA	MeJP	NA	NA
+MJ049822	Karakoline 	C22H35NO4	377.256608	NA	MeJP	NA	NA
+MJ049823	Ethylhexadecyldimethylammonium(1+); Bromide 	C20H44BrN	377.265713	NA	MeJP	NA	NA
+MJ049824	Alginine 	C23H39NO3	377.292994	NA	MeJP	NA	NA
+MJ049825	Madangolide 	C23H39NO3	377.292994	NA	MeJP	NA	NA
+C14937	6beta-(Dimethylamino)-3beta,5-dihydroxy-5alpha-pregnan-20-one	C23H39NO3	377.293	NA	KEGG	NA	NA
+C14966	17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol	C23H39NO3	377.293	NA	KEGG	NA	NA
+MJ049826	Mycalazoles; Mycalazole 4, 14',15'-Dihydro 	C24H43NO2	377.329379	NA	MeJP	NA	NA
+7493	ACE inhibitor (from bovine beta-CN)	DKIHPF	377.69145	MH2+	Inhouse_peptide	NA	peptide
+7895	peptide from human milk b-casein (193-198)	HQIYPV	377.6915	MH2+	Inhouse_peptide	NA	peptide
+MJ049827	Talc 	H2Mg3O12Si4	377.817457	NA	MeJP	NA	NA
+C13718	Dieldrin	C12H8Cl6O	377.8706	NA	KEGG	NA	NA
+C18124	Endrin	C12H8Cl6O	377.8706	NA	KEGG	NA	NA
+C18125	1-Acyl-sn-glycero-3-phosphoserine	C7H13NO9PR	377.8706	NA	KEGG	NA	NA
+C18126	1-Acyl-sn-glycero-3-phosphoglycerol	C7H14O9PR	377.8706	NA	KEGG	NA	NA
+MJ049828	Dieldrin 	C12H8Cl6O	377.870631	NA	MeJP	NA	NA
+MJ049829	Endrin, ESA 	C12H8Cl6O	377.870631	NA	MeJP	NA	NA
+MJ049830	Pantoneurine A; 2-Epimer, 8-chloro 	C10H14Br2Cl2O	377.878845	NA	MeJP	NA	NA
+MJ049831	14,14-Dibromo-4,6,13-tetradecatrienoic acid 	C14H20Br2O2	377.983005	NA	MeJP	NA	NA
+MJ049832	Molokaiamine; N3'',N3''-Di-Me 	C13H20Br2N2O	377.994238	NA	MeJP	NA	NA
+MJ049833	1,4,6,8-Tetrahydroxy-3-methyl-2-anthraquinonecarboxylic acid; 8-Me ether, 5-chloro 	C17H11ClO8	378.014245	NA	MeJP	NA	NA
+MJ049834	2,10-Dibromo-7-chamigren-3-ol 	C15H24Br2O	378.01939	NA	MeJP	NA	NA
+MJ049835	2,11-Dibromo-7(14)-chamigren-3-ol 	C15H24Br2O	378.01939	NA	MeJP	NA	NA
+MJ049836	2-Bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane 	C15H24Br2O	378.01939	NA	MeJP	NA	NA
+MJ049837	Palisadin B 	C15H24Br2O	378.01939	NA	MeJP	NA	NA
+C16615	6-Methylthiopurine 5'-monophosphate ribonucleotide	C11H15N4O7PS	378.0399	NA	KEGG	NA	NA
+MJ049838	1,6,8-Trihydroxy-3-propylanthraquinone; 6-O-Sulfate 	C17H14O8S	378.040938	NA	MeJP	NA	NA
+MJ049839	2-[[(2-Chlorophenyl)amino]thioxomethyl]-2'-[1-(2-pyridinyl)ethylidene]carbonothioic dihydrazide 	C15H15ClN6S2	378.048813	NA	MeJP	NA	NA
+C10027	Chlorflavonin	C18H15ClO7	378.0506	NA	KEGG	NA	NA
+MJ049840	3'-Chloro-2',5-dihydroxy-3,7,8-trimethoxyflavone 	C18H15ClO7	378.05063	NA	MeJP	NA	NA
+MJ049841	Norgangaleoidin; 4-Dechloro, 8-Me ether 	C18H15ClO7	378.05063	NA	MeJP	NA	NA
+FL5FF8NSH001	Chlorflavonin	C18H15ClO7	378.05063	23363-64-6	knapsack	NA	NA
+MJ049842	Aldophosphamide; Acetal, di-Ac 	C11H21Cl2N2O6P	378.051428	NA	MeJP	NA	NA
+C14295	Ritipenem acoxil hydrate	C13H16N2O8S	378.0733	NA	KEGG	NA	NA
+FL2FAANF0011	Anastatin A;(2S)-2,3-Dihydro-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-Benzofuro[3,2-g]-1-benzopyran-4-one	C21H14O7	378.07395	571186-32-8	knapsack	NA	NA
+FL2FAANF0012	Anastatin B;(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one	C21H14O7	378.07395	571186-33-9	knapsack	NA	NA
+MJ049843	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene), 7-Me ether 	C21H14O7	378.073952	NA	MeJP	NA	NA
+MJ049844	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4':4,5-Bis(methylene), 7-Me ether 	C21H14O7	378.073952	NA	MeJP	NA	NA
+MJ049845	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 9-Oxo, 4,5-methylene, 3',4'-di-Me ether 	C21H14O7	378.073952	NA	MeJP	NA	NA
+MJ049846	3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3,4:3',4'-Bis(methylene ether), 7-Me ether 	C21H14O7	378.073952	NA	MeJP	NA	NA
+MJ049847	3,4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bismethylene, 5'-Me ether 	C21H14O7	378.073952	NA	MeJP	NA	NA
+MJ049848	?1-Pyrromycinone 	C21H14O7	378.073952	NA	MeJP	NA	NA
+MetaCyc03263	7-methylguanosine-5-phosphate []	C11H17N5O8P1	378.081474	NA	metacyc	NA	NA
+C03998	7-Methylguanosine 5'-phosphate	C11H17N5O8P	378.0815	NA	KEGG	NA	NA
+C03999	Alanyl-poly(glycerolphosphate)	H2O	378.0815	NA	KEGG	NA	NA
+CJneg0568	kynurenic acid [(2M-H)]-	C20H13N2O6	378.085725	C18rt(min)=5.39 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0568	kynurenic acid [(2M-H)]-	C20H13N2O6	378.085725	C18rt(min)=5.39 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ049849	17-Chloro-15,16-epoxy-8-hydroxy-19-nor-4,13(16),14-clerodatriene-18,6:20,12-diolide 	C19H19ClO6	378.087016	NA	MeJP	NA	NA
+MJ049850	Haiderin 	C19H19ClO6	378.087016	NA	MeJP	NA	NA
+MJ049851	Carbenicillin 	C17H18N2O6S	378.088557	NA	MeJP	NA	NA
+C06869	Carbenicillin	C17H18N2O6S	378.0886	NA	KEGG	NA	NA
+MJ049852	?,?,4-Trichlorobenzenedodecanoic acid 	C18H25Cl3O2	378.092013	NA	MeJP	NA	NA
+CJneg0569	Sucrose (and isomers) [(M+Cl)]-	C12H22ClO11	378.093425	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0569	Sucrose (and isomers) [(M+Cl)]-	C12H22ClO11	378.093425	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ049853	?-Sorigenin; 8-O-?-D-Glucopyranoside 	C18H18O9	378.095082	NA	MeJP	NA	NA
+MJ049854	2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 9?-Hydroxy, 11-Ac, 9-sulfate 	C11H18N6O7S	378.095767	NA	MeJP	NA	NA
+PJ000680	GPCC 	C13H22N4O5S2	378.1032	NA	PeJP	NA	NA
+MJ049855	1,1'-(Dithiodicarbonothioyl)bis(hexahydro-4-methyl-1H-1,4-diazepine) 	C14H26N4S4	378.104029	NA	MeJP	NA	NA
+MJ049856	Dithiosilvatin 	C18H22N2O3S2	378.107183	NA	MeJP	NA	NA
+C10506	Millettone	C22H18O6	378.1103	NA	KEGG	NA	NA
+FL3F19NF0003	Glabratephrinol;(3R,4R)-rel-(+)-4,5-Dihydro-4-hydroxy-5,5-dimethyl-2'-phenyl-spiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione	C22H18O6	378.11033	75444-24-5	knapsack	NA	NA
+FL3F2CNP0001	Isopongachromene	C22H18O6	378.11033	86894-36-2	knapsack	NA	NA
+FL3FBCNP0001	5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone	C22H18O6	378.11033	64125-34-4	knapsack	NA	NA
+FL5F1CNP0001	Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C22H18O6	378.11033	22037-31-6	knapsack	NA	NA
+FLIA1GNP0001	Isojamaicin;3'-Methoxy-4',5'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone	C22H18O6	378.11033	124596-68-5	knapsack	NA	NA
+FLIA1LNP0002	Jamaicin	C22H18O6	378.11033	24211-36-7	knapsack	NA	NA
+FLIA2CNP0001	Durmillone	C22H18O6	378.11033	01/09/7731	knapsack	NA	NA
+FLIABCNF0001	Glabrescione A	C22H18O6	378.11033	65893-95-0	knapsack	NA	NA
+FLIABCNP0001	Robustone methyl ether	C22H18O6	378.11033	22044-57-1	knapsack	NA	NA
+FLIF1LNF0005	Isomillettone	C22H18O6	378.11033	22256-05-9	knapsack	NA	NA
+FLIF1LNP0002	Millettone	C22H18O6	378.11033	50376-38-0	knapsack	NA	NA
+MJ049857	11-Methylgerberinol 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049858	2-(1,3-Benzodioxol-5-yl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one; 5-Methoxy 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049859	3',4'-Dihydro-4',8,8'-trihydroxy-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',4-(2'H)-trione 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049860	5,6-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one; 8-Deoxy, 3',4'-methylene, 7-Me ether 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049861	Antibiotic SS 43405E; 13-Hydroxy 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049862	Antibiotic SS 43405E; 14-Hydroxy 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049863	Antibiotic SS 43405E; 16-Hydroxy 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049864	Durmillone 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049865	Erysenegalensein K 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049866	Glabratephrin, O-De-Ac 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049867	Glabrescione A 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049868	Isojamaicin 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049869	Isomillettone 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049870	Isopongachromene 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049871	Jamaicin 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049872	Millettone; natural-form 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049873	Pongachromene 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049874	Robustone; Me ether 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049875	Tetrahydrodiospyrin 	C22H18O6	378.110338	NA	MeJP	NA	NA
+MJ049876	Antirrhinoside; 10-Hydroxy 	C15H22O11	378.116211	NA	MeJP	NA	NA
+MJ049877	Mefloquine 	C17H16F6N2O	378.116682	NA	MeJP	NA	NA
+C07633	Mefloquine	C17H16F6N2O	378.1167	NA	KEGG	NA	NA
+PJ000681	NDM 	C13H22N4O7S	378.1209	NA	PeJP	NA	NA
+MJ049878	Camptothecin, 10-Methoxy 	C21H18N2O5	378.121571	NA	MeJP	NA	NA
+MJ049879	Camptothecin, 7-Methoxy 	C21H18N2O5	378.121571	NA	MeJP	NA	NA
+MJ049880	Camptothecin, 9-Methoxy 	C21H18N2O5	378.121571	NA	MeJP	NA	NA
+MJ049881	Corydamineyl 	C21H18N2O5	378.121571	NA	MeJP	NA	NA
+MJ049882	Isopropicillin 	C18H22N2O5S	378.124942	NA	MeJP	NA	NA
+MJ049883	Propicillin 	C18H22N2O5S	378.124942	NA	MeJP	NA	NA
+3353	Antithrombotic peptide	SSGE	378.127	celiac toxic	Inhouse_peptide	NA	peptide
+MJ049884	1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethylpropenoyl) 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049885	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049886	1,10;2,3;4,15-Triepoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl) 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049887	1,2-Bis(2,4-dihydroxyphenyl)ethane; 2-O-?-D-Xylopyranoside 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049888	1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 8,13-Di-Ac 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049889	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-L-Arabinopyranoside 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049890	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Me ether, 1'-benzoyl, 3,4-di-Ac 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049891	2-Acetyl-3-methyl-1,8-naphthalenediol; 1-O-?-D-Glucopyranoside 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049892	2-Acetyl-3-methyl-1,8-naphthalenediol; 8-O-?-D-Glucopyranoside 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049893	3,11-Tridecadiene-5,7,9-triyne-1,2,13-triol, 2-O-?-D-Glucopyranoside 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049894	Elenaic acid; (3,4-Dihydroxyphenylethyl) ester 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049895	Elenaic acid; 6-Epimer, 2-(3,4-dihydroxyphenylethyl)ester 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049896	Excavatin D, 2'?,3'?,7'?-Trihydroxy, 2',3',6',7'-tetrahydro 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049897	Gibberellin A3; 12?,15?-Dihydroxy 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049898	Hypothemicin 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049899	Jasmolactone A 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049900	Podolactone A 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049901	Salignone I 	C19H22O8	378.131467	NA	MeJP	NA	NA
+MJ049902	Syringopicrogenin A; 3'-Methoxy, 3''-hydroxy 	C19H22O8	378.131467	NA	MeJP	NA	NA
+C09477	Hydroxyvernolide	C19H22O8	378.1315	NA	KEGG	NA	NA
+MJ049903	6,6'-Dihydroxy-?,?'-diisocyano-[1,1'-biphenyl]-3,3'-dipropanamide 	C20H18N4O4	378.132805	NA	MeJP	NA	NA
+MJ049904	Thaxtomin A; 3,3''-Dideoxy, N1, N4-di-de-Me 	C20H18N4O4	378.132805	NA	MeJP	NA	NA
+C12229	Chelilutine	C22H20NO5	378.1341	NA	KEGG	NA	NA
+C12230	Sanguirubine	C22H20NO5	378.1341	NA	KEGG	NA	NA
+PJ000682	ACW 	C17H22N4O4S	378.1362	NA	PeJP	NA	NA
+MJ049905	[6-(2-Chloro-4-methoxyphenoxy)hexyl]phosphonic acid; Di-Et ester 	C17H28ClO5P	378.136288	NA	MeJP	NA	NA
+HMDB11739	Galactinol dihydrate	C12H26O13	378.137329	NA	HMDB2010	NA	NA
+PJ000683	GSSE 	C13H22N4O9	378.1387	NA	PeJP	NA	NA
+C09759	Isouvaretin	C23H22O5	378.1467	NA	KEGG	NA	NA
+C09978	Uvaretin	C23H22O5	378.1467	NA	KEGG	NA	NA
+FL1DA9NC0001	Isouvaretin	C23H22O5	378.14672	61463-03-4	knapsack	NA	NA
+FL1DA9NC0003	Uvaretin	C23H22O5	378.14672	58449-06-2	knapsack	NA	NA
+FL1DA9NC0014	2',6'-Dihydroxy-4'-methoxy-3'-(2-hydroxybenzyl)dihydrochalcone	C23H22O5	378.14672	61463-10-3	knapsack	NA	NA
+MJ049906	5,10-Dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049907	6,11-Dihydroxy-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2,3-c]xanthen-7-one 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049908	9,10-Dihydro-1-(4-hydroxybenzyl)-2,4,7,8-phenanthrenetetrol; 4,7-Di-Me ether 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049909	9,10-Dihydro-1-(4-hydroxybenzyl)-2,4,7,8-phenanthrenetetrol; 4,8-Di-Me ether 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049910	Calabaxanthone; O-De-Me 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049911	Calothwaitesixanthone 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049912	Calozeyloxanthone 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049913	Cernuanone; Cinnamoyl 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049914	Cudraxanthone I 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049915	Garciniaxanthone B 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049916	Macluraxanthone; 9-Deoxy 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049917	Morusignin J; 1-Deoxy 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049918	Pleionol 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049919	Thwaitesixanthone; 11,12-Dihydro 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049920	Toxyloxanthone A 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049921	Uvaretin 	C23H22O5	378.146723	NA	MeJP	NA	NA
+MJ049922	Abafungin 	C21H22N4OS	378.151432	NA	MeJP	NA	NA
+MJ049923	Lamiol 	C16H26O10	378.152597	NA	MeJP	NA	NA
+MJ049924	Shanzhiside; 11-Alcohol 	C16H26O10	378.152597	NA	MeJP	NA	NA
+C01007	Reduced riboflavin	C17H22N4O6	378.1539	NA	KEGG	NA	NA
+PJ000684	SSW 	C17H22N4O6	378.1539	NA	PeJP	NA	NA
+MetaCyc03264	reduced riboflavin []	C17H22N4O6	378.153934	NA	metacyc	NA	NA
+PJ000685	TQM 	C14H26N4O6S	378.1573	NA	PeJP	NA	NA
+MJ049925	10,22-Dioxokopsane; N-Methoxycarbonyl 	C22H22N2O4	378.157957	NA	MeJP	NA	NA
+MJ049926	Serpenticine 	C22H22N2O4	378.157957	NA	MeJP	NA	NA
+MJ049927	Gemopatrilat 	C19H26N2O4S	378.161328	NA	MeJP	NA	NA
+MJ049928	Zinterol 	C19H26N2O4S	378.161328	NA	MeJP	NA	NA
+8221	antioxidative peptide	TSTA	378.163	Bile-acid glycine conjugates  ;SYN:3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine; 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine; 3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Cholylglycine; Glycine cholate; Glycocholate; Glycocholic acid; Glycoreductodehydrocholic acid; Glycylcholate; Glycylcholic acid; N-(carboxymethyl)-3a,7a,12a-trihydroxy-5b-Cholan-24-amide; N-Choloylglycine; N-choloyl-GlycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ049929	1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049930	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 3-ketone, 8-angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049931	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049932	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049933	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Methoxy-2-methylenepropanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049934	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 6-(3-hydroxy-2-methylenepropanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049935	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049936	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049937	1,10:7,8-Diepoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049938	1,10;4,5-Diepoxy-2,8-dihydroxy-11(13)-germacren-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049939	1,4,8,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049940	1,4,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049941	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049942	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 9-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049943	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049944	1,7,15-Trihydroxy-3,13-clerodadien-18,19:16,15-diolide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049945	1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049946	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049947	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049948	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049949	1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049950	15,16-Epoxy-2,6,18,19-tetrahydroxy-3,13(16),14-clerodatrien-20,12-olide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049951	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?,17-Epoxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049952	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy, 3-ketone 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049953	15,16-Epoxy-3,6,7,19-tetrahydroxy-4(18),13(16),14-clerodatrien-20,12-olide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049954	15,16-Epoxy-6,7,18,19-tetrahydroxy-3,13(16),14-clerodatrien-20,12-olide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049955	18(4?3)-Abeo-7,8:13,14-diepoxy-9,11,13-trihydroxy-4-abieten-18,19-olide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049956	2,3,4,8-Tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049957	2,3-Epoxy-2,15-dihydroxy-2,3-seco-3,10(14)-aromadendradien-13-al; 2?-form, 13-Carboxylic acid, di-Ac, Me ester 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049958	2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049959	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-hydroxymethylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049960	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2,3-Epoxy-2-(1-hydroxyethyl)propanoyl] 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049961	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Ketone, 8-O-(2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049962	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049963	3,10-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049964	3,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049965	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049966	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 11-Hydroperoxide, 1-tigloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049967	3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049968	3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049969	3,8,10-Trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 1?,2?-Epoxide, 8-angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049970	3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049971	3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049972	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049973	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049974	3,8-Dihydroxy-4-rotunden-13,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049975	4,10:15,16-Diepoxy-6,18,19-trihydroxy-13(16),14-clerodadien-20,12-olide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049976	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049977	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethyl-2Z-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049978	4,19:15,16-Diepoxy-6,10,18-trihydroxy-13(16),14-clerodadien-20,12-olide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049979	4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049980	4,5-Epoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-O-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049981	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (4-Hydroxy-2-hydroxymethyl-2Z-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049982	4,5-Epoxy-8-hydroxy-1(10),11(13)-germacradien-12,6-olide, (4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049983	4,8,9-Trihydroxy-14-oxo-11(13)-guaiaen-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049984	4,8,9-Trihydroxy-14-oxo-11(13)-guaiaen-12,6-olide, 9-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049985	6,8-Dihydroxy-7(11)-eremophilen-12,8-olid-15-oic acid, 6-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049986	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-(2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049987	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1S,2-Epoxide, 6-(3-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049988	6-Tetradecene-8,10,12-triyne-1,3-diol, 1-O-?-D-Glucopyranoside 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049989	6-Tetradecene-8,10,12-triyne-1,3-diol, 3-O-?-D-Glucopyranoside 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049990	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049991	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-O-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049992	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049993	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049994	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 1'-O-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049995	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049996	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-O-(3-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049997	8,10,15-Trihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049998	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ049999	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050000	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Carboxylic acid, 15-(2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050001	8,14,15-Trihydroxy-1,3,11(13)-elematrien-12,6-olide, 8-(2Z-Hydroxymethyl-2-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050002	8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050003	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050004	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2-butenoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050005	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(3,4-Dihydroxy-2-methylenebutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050006	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(3,4-dihydroxy-2-methylenebutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050007	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050008	8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050009	8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Tigloyl 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050010	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050011	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050012	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylpropanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050013	8,9-Dihydroxy-2-oxo-3,11(13)-germacradien-12,6-olide, 9-(2R,3R-Epoxy-2-methylbutanoyl) 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050014	Ailantinol C 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050015	Bipinnatolide I; 11?,12?-Epoxide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050016	Carinol 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050017	Chaparrin; 13,18-Didehydro 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050018	Chaparrin; 2-Ketone 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050019	Cyclocratystyolide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050020	Ememogin 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050021	Eremantholide B; 15-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050022	Gibberellin A13 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050023	Gibberellin A19; 12?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050024	Gibberellin A19; 15?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050025	Gibberellin A19; 20-Carboxylic acid 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050026	Gibberellin A19; 2?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050027	Gibberellin A19; 3?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050028	Gibberellin A25; 15?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050029	Gibberellin A25; 2?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050030	Gibberellin A27; 11?-Hydroxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050031	Icacinol 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050032	Longirabdolide C 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050033	Samaderine Z; 15-Deoxy 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050034	Secomacrotolide; 6?-Tigloyloxy, 1,10-dihydro, 1-oxo 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050035	Tepolin A 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050036	Teucrin C 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050037	Teucroxide 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050038	Teugnaphalodin 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MJ050039	Teusalvin E 	C20H26O7	378.167853	NA	MeJP	NA	NA
+MetaCyc03265	GA17 [gibberellin A17;gibberellin A17;GA17;]	C20H26O7	378.167853	NA	metacyc	NA	NA
+MetaCyc03266	GA46 [gibberellin A46;gibberellin A46;GA46;]	C20H26O7	378.167853	NA	metacyc	NA	NA
+MetaCyc03267	GA13 [gibberellin A13;gibberellin A13;GA13;]	C20H26O7	378.167853	NA	metacyc	NA	NA
+C08757	Chaparrinone	C20H26O7	378.1679	NA	KEGG	NA	NA
+C09362	Cnicin	C20H26O7	378.1679	NA	KEGG	NA	NA
+C09433	Eupahyssopin	C20H26O7	378.1679	NA	KEGG	NA	NA
+C09517	Niveusin C	C20H26O7	378.1679	NA	KEGG	NA	NA
+PJ000686	TCR 	C13H26N6O5S	378.1686	NA	PeJP	NA	NA
+3600	NA	YPFGFCQ~	378.173	MH2+	Inhouse_peptide	NA	peptide
+3636	NA	YPFGFQ~	378.173	MH2+	Inhouse_peptide	NA	peptide
+PJ000687	GTTT 	C14H26N4O8	378.1751	NA	PeJP	NA	NA
+3265	alpha s1-casein (91-96)	YLGYLE	378.1785	MH2+	Inhouse_peptide	NA	peptide
+MJ050040	Antibiotic BU 2545 	C16H30N2O6S	378.182457	NA	MeJP	NA	NA
+C08732	Albafuran A	C24H26O4	378.1831	NA	KEGG	NA	NA
+MJ050041	15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Cinnamoyl (E-) 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050042	15-Hydroxy-3,11(13)-eudesmadien-12,8-olide, 15-Cinnamoyl (Z-) 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050043	2-[3,5-Dihydroxy-4-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050044	Albafuran A 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050045	Estrofurate 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050046	Ferprenin; 12'-Oxo 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050047	Isovismiaphenone B; 5-Me ether 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050048	Mulberrofuran L 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050049	Mulberrofuran N; O-De-Me 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050050	Paralycolin A; 4,7-Di-Me ether 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050051	Riligustilide; 2a,4a-Didehydro 	C24H26O4	378.183109	NA	MeJP	NA	NA
+MJ050052	9-Fluoro-17,21-dihydroxypregn-4-ene-3,11,20-trione 	C21H27FO5	378.184252	NA	MeJP	NA	NA
+MJ050053	Descinolone 	C21H27FO5	378.184252	NA	MeJP	NA	NA
+MJ050054	Fluprednisolone 	C21H27FO5	378.184252	NA	MeJP	NA	NA
+MJ050055	Isoflupredone 	C21H27FO5	378.184252	NA	MeJP	NA	NA
+C14484	9-Fluoroprednisolone	C21H27FO5	378.1843	NA	KEGG	NA	NA
+C14618	6alpha-Fluoroprednisolone	C21H27FO5	378.1843	NA	KEGG	NA	NA
+C15361	Descinolone	C21H27FO5	378.1843	NA	KEGG	NA	NA
+MJ050056	Tixocortol 	C21H30O4S	378.18648	NA	MeJP	NA	NA
+PJ000688	VNF 	C18H26N4O5	378.1903	NA	PeJP	NA	NA
+3641	NA	YPFGFK~	378.191	MH2+	Inhouse_peptide	NA	peptide
+PJ000689	TKM 	C15H30N4O5S	378.1937	NA	PeJP	NA	NA
+MJ050057	Pravadoline 	C23H26N2O3	378.194342	NA	MeJP	NA	NA
+MJ050058	Pseudostrychnine; Et ether 	C23H26N2O3	378.194342	NA	MeJP	NA	NA
+MJ050059	Clostebol; Propanoyl 	C22H31ClO3	378.196172	NA	MeJP	NA	NA
+MJ050060	Hamiltonin B; 15-Ketone (lactone) 	C22H31ClO3	378.196172	NA	MeJP	NA	NA
+MJ050061	Spongiaquinone; 1'-Deoxy, 2',5'-quinol, 11-chloro, 9(11)E-isomer 	C22H31ClO3	378.196172	NA	MeJP	NA	NA
+C14923	12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione	C22H31ClO3	378.1962	NA	KEGG	NA	NA
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_urine	NA	urine
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_urine	NA	urine
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	HMDB	NA	NA
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	HMDB	NA	NA
+HMDB03933	Pentosidine	C17H26N6O4	378.201538	NA	HMDB2010	NA	NA
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	Inhouse_PFEM	NA	NA
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	Inhouse_PFEM	NA	NA
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_blood	NA	blood
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_blood	NA	blood
+TEST004	Pentosidine (Arg-Lys)	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_official	NA	NA
+TEST017	Pentosidine	C17H26N6O4	378.201538	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03933	Pentosidine	C17H26N6O4	378.20154	http://www.hmdb.ca/metabolites/HMDB03933	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03933	Pentosidine	C17H26N6O4	378.20154	http://www.hmdb.ca/metabolites/HMDB03933	HMDB	NA	NA
+HMDB03933	Pentosidine	C17H26N6O4	378.20154	Tetrapeptides  ;SYN:L-threonyl-l-LYSYL-l-prolyl-l-arginine; Polytuftsin; Tuftsin polymerH2Blood	Inhouse_peptide	NA	peptide
+HMDB03933	Pentosidine	C17H26N6O4	378.20154	http://www.hmdb.ca/metabolites/HMDB03933	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03933	Pentosidine	C17H26N6O4	378.20154	HMDB03933	PFEM_hmdb_metabocards_official	NA	NA
+MJ050062	Pentosidine 	C17H27N6O4(+)	378.201553	NA	MeJP	NA	NA
+PJ000690	GFR 	C17H26N6O4	378.2016	NA	PeJP	NA	NA
+C15291	6alpha-Hydroxycortisol	C21H30O6	378.2042	NA	KEGG	NA	NA
+C17012	Nigakilactone A	C21H30O6	378.2042	NA	KEGG	NA	NA
+MJ050063	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3-Me ether, 8-(2-methylbutanoyl) 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050064	11,17,18,21-Tetrahydroxypregn-4-ene-3,20-dione 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050065	15,16-Epoxy-3,4-dihydroxy-12-oxo-13(16),14-clerodadien-17-oic acid, Me ester 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050066	2,7(14),10-Bisabolatriene-1,9,12-triol; Tri-Ac 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050067	3,4-Dihydro-6,8-dihydroxy-3-undecyl-1H-2-benzopyran-1-one, 5'-Oxo, 6'-hydroxy, 6-Me ether 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050068	3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide, 18-Me ether 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050069	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 6-angeloyl 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050070	3,8,10-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-angeloyl 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050071	4,15-Scirpenediol, 15-(5-Hydroxy-3-methyl-2E-pentenoyl) 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050072	6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050073	7-Hydroxy-6-oxo-13(15)-cassene-16,19-dioic acid, 19-Me ester 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050074	Alternaric acid; 10,11-Dideoxy, 10E,11-didehydro, 6R,19-dihydro 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050075	Austroeupatorione; 12-Deoxo 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050076	Coetsoidin C; 6?-Hydroxy 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050077	Flexilin; 4-Acetoxy 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050078	Hirundigenin; 2?-Hydroxy 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050079	Humulinone 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050080	Isohumulinone A 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050081	Javanicin L; 16-Ketone 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050082	Nigakihemiacetal C; 12-Ketone 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050083	Nigakilactone A 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050084	Sinapyl alcohol, 1,4'-Di-O-(3-methylbutanoyl) 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050085	Sinapyl alcohol, 4'-O-(6-Hydroperoxy-3,7-dimethyl-2,7-octadienyl)(E-) 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050086	Sinapyl alcohol, 4'-O-(7-Hydroperoxy-3,7-dimethyl-2,5-octadienyl)(E,E-) 	C21H30O6	378.204238	NA	MeJP	NA	NA
+MJ050087	Sugetriol; Tri-Ac 	C21H30O6	378.204238	NA	MeJP	NA	NA
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	http://www.hmdb.ca/metabolites/HMDB00418	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	http://www.hmdb.ca/metabolites/HMDB00418	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	http://www.hmdb.ca/metabolites/HMDB00418	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	http://www.hmdb.ca/metabolites/HMDB00418	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	http://www.hmdb.ca/metabolites/HMDB00418	HMDB	NA	NA
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	http://www.hmdb.ca/metabolites/HMDB00418	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.20425	HMDB00418	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00418	18-Hydroxycortisol	C21H30O6	378.204254	NA	HMDB2010	NA	NA
+JH242	Oleuropein [M+H-glucopyranosyl]+	NA	378.2096	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH242	Oleuropein [M+H-glucopyranosyl]+	NA	378.2096	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH242	Oleuropein [M+H-glucopyranosyl]+	NA	378.2096	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH242	Oleuropein [M+H-glucopyranosyl]+	NA	378.2096	14.15	Inhousejuil11	NA	NA
+MJ050088	3,8,13-Trihydroxylupanine, 13-Angeloyl 	C20H30N2O5	378.215472	NA	MeJP	NA	NA
+MJ050089	1,19-Diisothiocyanato-1,18-nonadecadiene 	C21H34N2S2	378.21634	NA	MeJP	NA	NA
+MJ050090	6'-Oxo-6,6'-diapo-6-carotenoic acid, Me ester 	C25H30O3	378.219494	NA	MeJP	NA	NA
+MJ050091	8-Hydroxy-3-(10-phenyldecyl)-1H-2-benzopyran-1-one 	C25H30O3	378.219494	NA	MeJP	NA	NA
+MJ050092	Isotriptiliocoumarin 	C25H30O3	378.219494	NA	MeJP	NA	NA
+MJ050093	Nassauviachromone 	C25H30O3	378.219494	NA	MeJP	NA	NA
+MJ050094	Triptiliocoumarin 	C25H30O3	378.219494	NA	MeJP	NA	NA
+C15000	17beta-(Benzoyloxy)-B-norandrost-4-en-3-one	C25H30O3	378.2195	NA	KEGG	NA	NA
+C15171	17beta-Hydroxyestr-4-en-3-one benzoate	C25H30O3	378.2195	NA	KEGG	NA	NA
+C15644	GW 0791	C25H30O3	378.2195	NA	KEGG	NA	NA
+C15645	1-(1-Alkenyl)-sn-glycerol	C5H9O3R	378.2195	NA	KEGG	NA	NA
+C15646	1-(1-Alkenyl)-sn-glycero-3-phosphate	C5H10O6PR	378.2195	NA	KEGG	NA	NA
+C15647	2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphate	C6H9O7PR2	378.2195	NA	KEGG	NA	NA
+C15320	21-Fluoro-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione	C22H31FO4	378.2206	NA	KEGG	NA	NA
+MJ050095	Desmethylmoramide 	C24H30N2O2	378.230728	NA	MeJP	NA	NA
+MJ050096	Doxapram 	C24H30N2O2	378.230728	NA	MeJP	NA	NA
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR511	9-HODE F3	NA	378.238325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR511	9-HODE F3	NA	378.238325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR511	9-HODE F3	NA	378.238325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR511	9-HODE F3	NA	378.238325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR511	9-HODE F3	F3	378.238325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR524	12,13-EPOME F3	NA	378.239325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR524	12,13-EPOME F3	NA	378.239325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR524	12,13-EPOME F3	NA	378.239325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR524	12,13-EPOME F3	NA	378.239325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR524	12,13-EPOME F3	F3	378.239325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C09169	Pleuromutilin	C22H34O5	378.2406	NA	KEGG	NA	NA
+C10320	Cornudentanone	C22H34O5	378.2406	NA	KEGG	NA	NA
+C13818	F4-Neuroprostane (4-series)	C22H34O5	378.2406	NA	KEGG	NA	NA
+C13819	F4-Neuroprostane (7-series)	C22H34O5	378.2406	NA	KEGG	NA	NA
+MJ050097	1(15),8-Dolastadiene-4,7,10,14-tetrol, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050098	12,13,14-Trihydroxy-4,7,10,16,19-docosapentaenoic acid 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050099	13,16-Spatadiene-5,15,18,19-tetrol, 19-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050100	13,17-Dihydroxy-2,18-sphenolobadien-4-one; 2?,3?-Epoxide, 17-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050101	13,17-Spatadiene-5,15,16,19-tetrol, 19-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050102	15-Beyerene-3,7,14,18-tetrol, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050103	15-Hydroxy-7-oxo-5-halimen-18-oic acid, Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050104	15-Kaurene-3,6,7,18-tetrol, 18-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050105	15-Kaurene-3,6,7,18-tetrol, 3-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050106	15-Kaurene-3,7,18-triol, 15?,16?-Epoxide, 3-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050107	15-Kaurene-3,7,18-triol, 15?,16?-Epoxide, 18-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050108	16,17,19-Kauranetriol, 19-Carboxylic acid, 17-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050109	16,18-Dihydroxy-3,13-clerodadien-15-oic acid, 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050110	16,19-Dihydroxy-8(17),13-labdadien-15-oic acid, 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050111	16-Kaurene-3,7,15,18-tetrol, 18-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050112	16-Kaurene-3,7,15,18-tetrol, 3-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050113	2,10(18),14-Prenylguaiatriene-4,6,9,12-tetrol, 12-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050114	2,15-Dihydroxy-1(10)-halimen-18-oic acid, 2-Ketone, 15-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050115	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050116	2,5,8-Presilphiperfolanetriol, 2-O-Angeloyl, 5-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050117	2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 2-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050118	2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 5-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050119	2,6,10,14-Phytatetraene-1,18,19-triol, 19-Carboxylic acid, 1-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050120	2,7-Dihydroxy-3,13-clerodadien-15-oic acid, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050121	2,9:3,16-Diepoxy-11-hydroxy-4-asbestinanone, Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050122	2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol, 11-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050123	2,9:3,16-Diepoxy-7(19)-asbestinene-6,11-diol, 11-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050124	2-Hydroxy-6-tridecyl-1,4-benzoquinone; 2'-Acetoxy, Me ether 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050125	3(16)-Fusicoccene-4,8,9,14,18-pentol, 18-Deoxy, 4-ketone, 8-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050126	3,10(18),13-Prenylguaiatriene-6,9,12,15-tetrol, 12-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050127	3,13-Clerodadiene-15,16,17-triol, 17-Carboxylic acid, 15-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050128	3,14,17,21-Tetrahydroxypregn-5-en-20-one, 21-Me ether 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050129	3,19-Dihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 19-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050130	3,19-Dihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 3-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050131	3,4-Dihydro-8-hydroxy-3,6-dimethoxy-3-undecyl-1H-2-benzopyran-1-one 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050132	3,7-Dihydroxy-13-labden-15,12-olide, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050133	3,7-Dihydroxy-4(18),13-clerodadien-15-oic acid, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050134	3,7-Dolabelladiene-6,12-diol, 16-Oxo, 3S,4S-epoxide, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050135	4(17),10(18),14-Prenylguaiatriene-3,6,9,12-tetrol, 12-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050136	4(17),10(18),15-Prenylguaiatriene-6,9,12,14-tetrol, 12-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050137	4(20),11-Taxadiene-2,5,10,14-tetrol, 5-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050138	4,16-Dihydroxy-19-nor-17-kauranoic acid, 16-Ac, Me ester 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050139	4,18-Dihydroxy-1(9),6,13-xenicatrien-19-al; 6R,7R-Epoxide, 18-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050140	4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-(3-Methyl-2-butenoyl), 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050141	4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Angeloyl, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050142	4,5-Epoxy-1(10)-germacrene-3,6-diol, 3-Tigloyl, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050143	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Angeloyl, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050144	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-O-(3-Methyl-2-butenoyl), 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050145	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Tigloyl, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050146	4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methylbutanoyl), 4-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050147	4-Acetoxy-6-(4-hydroxy-4-methyl-2-cyclohexenyl)-2-(4-methyl-3-pentenyl)-2-heptenoic acid 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050148	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 8'-oxo, 3-Me ether 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050149	6,13-Epoxy-3,8(19)-eunicelladiene-9,11,12-triol, 11-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050150	6,15,17-Trihydroxy-3-cleroden-18-oic acid, 18?6 Lactone, 17-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050151	6,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050152	6,18-Dihydroxy-3,13-clerodadien-15-oic acid, 15-Alcohol, 18-carboxylic acid, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050153	6,9-Dihydroxy-13-labden-15,16-olide, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050154	6-Hydroxy-7-oxo-8-labden-15-oic acid, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050155	7,13-Labdadiene-15,16,17-triol, 15-Carboxylic acid, 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050156	7,15,16-Trihydroxy-3-erythroxylen-2-one, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050157	7,15-Dihydroxy-16-spongianone, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050158	7,15-Dihydroxy-8-labden-17-oic acid, 7-Ketone, 15-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050159	7,8:10,11-Diepoxy-4(16)-dolabellene-17,18-diol, 17-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050160	7-Hydroxy-3-oxo-4(19)-cleroden-15-oic acid, Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050161	8(14)-Pimarene-2,15,16,19-tetrol, 2-Ketone, 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050162	8(17),13-Labdadiene-2,7,15,19-tetrol, 15-Aldehyde, 19-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050163	8(17),13-Labdadiene-2,7,15,19-tetrol, 2-Ketone, 19-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050164	8(17),13-Labdadiene-3,15,19-triol, 19-Carboxylic acid, 3-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050165	8,13-Epoxy-6,7-dihydroxy-14-labden-11-one, 6-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050166	8,13-Epoxy-6,7-dihydroxy-14-labden-11-one, 7-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050167	8,14-Epoxy-4,8-dihydroxy-8,9-seco-1(15)-dolasten-9-one, 4-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050168	9,11,15-Trihydroxyprosta-5,13-dienoic acid, 11-Ac, 1,15-lactone 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050169	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050170	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050171	Acanthoaustralide; 1-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050172	Crenulacetal A; 18,19-Di-de-Me, 4-Ac, stereoisomer 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050173	Isoacanthoaustralide; 1-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050174	Pleuromutilin 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050175	Sarcodontic acid; 2,3-Dihydro 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050176	Seconorrlandin C 	C22H34O5	378.240624	NA	MeJP	NA	NA
+MJ050177	Shahamin E; 16-Ac 	C22H34O5	378.240624	NA	MeJP	NA	NA
+C13856	2-Arachidonoylglycerol	C23H38O4	378.277	NA	KEGG	NA	NA
+C13857	1-Arachidonoylglycerol	C23H38O4	378.277	NA	KEGG	NA	NA
+HMDB04666	2-Arachidonylglycerol	C23H38O4	378.277008	NA	HMDB2010	NA	NA
+HMDB11549	MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C23H38O4	378.277008	NA	HMDB2010	NA	NA
+HMDB11578	MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0)	C23H38O4	378.277008	NA	HMDB2010	NA	NA
+HMDB11579	MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0)	C23H38O4	378.277008	NA	HMDB2010	NA	NA
+MJ050178	1,2-Dihydroxy-5,12,15-heneicosatrien-4-one, 1-Ac 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050179	12-Isocopalen-15-oic acid; 14àH-form, 2,3-Dihydroxypropyl ester 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050180	3,5-Dimethyl-5-(7,9,12-pentadecatrienyl)-1,2-dioxolane-3-acetic acid, Me ester 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050181	3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Tetradecanoyl 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050182	3-Heptadecyl-2,5-dihydroxybenzoquinone 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050183	7-Labdene-15,17-diol, 17-Carboxylic acid, 15-Ac, Me ester 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050184	8(14)-Pimarene-2,15,16,19-tetrol, 15,16-Isopropylidene 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050185	8(17)-Labdene-7,15-diol, 15-Carboxylic acid, Ac, Me ester 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050186	Glycerol 2-alkanoates; Glycerol 2-(5Z,8Z,11Z,14Z-eicosatetraenoate) 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050187	Meteneprost 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050188	Plakinic acid F 	C23H38O4	378.277009	NA	MeJP	NA	NA
+MJ050189	Trimoprostil 	C23H38O4	378.277009	NA	MeJP	NA	NA
+HMDB04666	2-Arachidonylglycerol	C23H38O4	378.27701	http://www.hmdb.ca/metabolites/HMDB04666	HMDB	NA	NA
+HMDB04666	2-Arachidonylglycerol	C23H38O4	378.27701	HMDB04666	PFEM_hmdb_metabocards_official	NA	NA
+MJ050190	10'-Apo-?-caroten-10'-ol 	C27H38O	378.292265	NA	MeJP	NA	NA
+MJ050191	Cholesta-4,6,8(14),22-tetraen-3-one 	C27H38O	378.292265	NA	MeJP	NA	NA
+MJ050192	24,25-Dinor-1,3,5(10)-lupatriene 	C28H42	378.328651	NA	MeJP	NA	NA
+MJ050193	28,30-Dinor-17,19,21-gammaceratriene 	C28H42	378.328651	NA	MeJP	NA	NA
+MJ050194	16-Pentacosene-2,4-dione 	C25H46O2	378.34978	NA	MeJP	NA	NA
+MJ050195	23-Methyl-5,9-tetracosadienoic acid 	C25H46O2	378.34978	NA	MeJP	NA	NA
+MJ050196	19-Hexacosenal 	C26H50O	378.386166	NA	MeJP	NA	NA
+MJ050197	1-Heptacosene 	C27H54	378.422551	NA	MeJP	NA	NA
+MJ050198	9-Heptacosene 	C27H54	378.422551	NA	MeJP	NA	NA
+3592	NA	YPFGFE~	378.665	MH2+	Inhouse_peptide	NA	peptide
+3698	NA	YPFGFAG	378.665	MH2+	Inhouse_peptide	NA	peptide
+MJ050199	2,3,4,5-Tetrabromo-1H-pyrrole 	C4HBr4N	378.684249	NA	MeJP	NA	NA
+MJ050200	Clorsulon 	C8H8Cl3N3O4S2	378.90218	NA	MeJP	NA	NA
+MJ050201	Trichlormethiazide 	C8H8Cl3N3O4S2	378.90218	NA	MeJP	NA	NA
+C07767	Trichlormethiazide	C8H8Cl3N3O4S2	378.9022	NA	KEGG	NA	NA
+MJ050202	2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid, N,N,N-Tri-Me, betaine 	C12H15Br2NO3	378.941868	NA	MeJP	NA	NA
+MJ050203	Convolutamine A; 4-Debromo 	C13H19Br2NO2	378.978254	NA	MeJP	NA	NA
+MJ050204	Psammaplin C 	C11H14BrN3O5S	378.983753	NA	MeJP	NA	NA
+MJ050205	Alteconazole 	C17H12Cl3N3O	379.004595	NA	MeJP	NA	NA
+MJ050206	Dichloro(1,2-cyclohexanediamine-N,N')platinum 	C6H14Cl2N2Pt	379.018178	NA	MeJP	NA	NA
+C16619	6-Thioguanosine monophosphate	C10H14N5O7PS	379.0352	NA	KEGG	NA	NA
+C12252	2-Bromo-5-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-N-	C17H18BrNO4	379.0419	NA	KEGG	NA	NA
+MJ050207	Cyclopenthiazide 	C13H18ClN3O4S2	379.042725	NA	MeJP	NA	NA
+MJ050208	2,3,4,5-Tetrahydro-8-iodo-3-methyl-5-phenyl-1H-3-benzazepin-7-ol 	C17H18INO	379.043307	NA	MeJP	NA	NA
+MJ050209	Ulbactin D 	C16H17N3O2S3	379.048288	NA	MeJP	NA	NA
+MJ050210	2-[[[(4-Chlorophenyl)sulfonyl]amino]methyl]-2,3-dihydro-1H-indene-5-acetic acid 	C18H18ClNO4S	379.064506	NA	MeJP	NA	NA
+C11594	E3040 sulfate	C16H17N3O4S2	379.066	NA	KEGG	NA	NA
+MJ050211	Griseolic acid 	C14H13N5O8	379.076412	NA	MeJP	NA	NA
+C14626	2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene	C18H19Cl2N3O2	379.0854	NA	KEGG	NA	NA
+C03451	(R)-S-Lactoylglutathione	C13H21N3O8S	379.1049	NA	KEGG	NA	NA
+PJ000691	CEE 	C13H21N3O8S	379.1049	NA	PeJP	NA	NA
+MJ050212	(R)-S-Lactoylglutathione 	C13H21N3O8S	379.104935	NA	MeJP	NA	NA
+MetaCyc03268	S-lactoyl-glutathione [S-D-lactoylglutathione;D-lactoylglutathione;(R)-S-lactoylglutathione;]	C13H21N3O8S1	379.104935	25138-66-3	metacyc	NA	NA
+HMDB01066	S-Lactoylglutathione	C13H21N3O8S	379.10495	http://www.hmdb.ca/metabolites/HMDB01066	HMDB	NA	NA
+HMDB01066	S-Lactoylglutathione	C13H21N3O8S	379.10495	HMDB01066	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01066	S-Lactoylglutathione	C13H21N3O8S	379.10495	NA	HMDB2010	NA	NA
+PJ000692	DDM 	C13H21N3O8S	379.105	NA	PeJP	NA	NA
+MJ050213	Dehydropuntarenine 	C21H17NO6	379.105587	NA	MeJP	NA	NA
+MJ050214	Dihydrochelirubine; 5-Hydroxy 	C21H17NO6	379.105587	NA	MeJP	NA	NA
+MJ050215	12-Hydroxychelirubine 	C21H17NO6	379.105587	NA	MeJP	NA	NA
+MetaCyc03269	12-hydroxydihydrochelirubine []	C21H17N1O6	379.105587	NA	metacyc	NA	NA
+C05193	12-Hydroxydihydrochelirubine	C21H17NO6	379.1056	NA	KEGG	NA	NA
+HMDB00629	Chondroitin	C14H21NO11	379.11145	http://www.hmdb.ca/metabolites/HMDB00629	HMDB	NA	NA
+HMDB00629	Chondroitin	C14H21NO11	379.11145	HMDB00629	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00629	Chondroitin	C14H21NO11	379.11145	NA	HMDB2010	NA	NA
+MJ050216	Hyaluronic acid 	C14H21NO11	379.11146	NA	MeJP	NA	NA
+MetaCyc03270	3-(4-deoxy-&beta;-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine []	C14H21N1O11	379.111461	NA	metacyc	NA	NA
+MetaCyc03271	4-deoxy-&beta;-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine []	C14H21N1O11	379.111461	NA	metacyc	NA	NA
+C01310	4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine	C14H21NO11	379.1115	NA	KEGG	NA	NA
+C01311	1,4-beta-D-Galactosyl-(alpha-1,3-L-fucosyl)-N-acetyl-D-glucosaminyl-	C20H34NO15R	379.1115	NA	KEGG	NA	NA
+C04794	3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine	C14H21NO11	379.1115	NA	KEGG	NA	NA
+PJ000693	GSCN 	C12H21N5O7S	379.1162	NA	PeJP	NA	NA
+MJ050217	Senacarcin A; O-Deacyl 	C20H17N3O5	379.11682	NA	MeJP	NA	NA
+MJ050218	Karnamicin C4 	C17H21N3O5S	379.120191	NA	MeJP	NA	NA
+MJ050219	Karnamicin D2 	C17H21N3O5S	379.120191	NA	MeJP	NA	NA
+MJ050220	Karnamicin D4 	C17H21N3O5S	379.120191	NA	MeJP	NA	NA
+MJ050221	Maremycin A; 3'-Epimer, S-oxide(R-) 	C17H21N3O5S	379.120191	NA	MeJP	NA	NA
+MJ050222	Maremycin A; 3'-Epimer, S-oxide(S-) 	C17H21N3O5S	379.120191	NA	MeJP	NA	NA
+MJ050223	Fluotrimazole 	C22H16F3N3	379.129632	NA	MeJP	NA	NA
+MJ050224	Benzomalvin B 	C24H17N3O2	379.132076	NA	MeJP	NA	NA
+MJ050225	6-(4-Chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid 	C23H22ClNO2	379.133906	NA	MeJP	NA	NA
+PJ000694	TEM 	C14H25N3O7S	379.1413	NA	PeJP	NA	NA
+MJ050226	8-Hydroxydihydrochelerythrine; Me ether 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050227	8-Hydroxymethyldihydronitidine 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050228	Bocconoline 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050229	Dihydrochelerythrine; 5-Methoxy 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050230	Dihydrochelilutine 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050231	Dihydronitidine; 8-Methoxy 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050232	Reframidine, 15-(2-Oxopropyl) 	C22H21NO5	379.141972	NA	MeJP	NA	NA
+MJ050233	Thaliglucinone; N-Me 	C22H22NO5(+)	379.141972	NA	MeJP	NA	NA
+C09336	Angoline	C22H21NO5	379.142	NA	KEGG	NA	NA
+C12224	N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one	C22H21NO5	379.142	NA	KEGG	NA	NA
+7922	synthetic peptide	SHH	379.148	antioxidative	Inhouse_peptide	NA	peptide
+MJ050234	Cyclotryprostatin A; Demethoxy, 12-epimer, 13-ketone 	C21H21N3O4	379.153206	NA	MeJP	NA	NA
+MJ050235	Lyalidine; 19,20-Dihydro, 19-hydroxy 	C21H21N3O4	379.153206	NA	MeJP	NA	NA
+MJ050236	Scaevodimerine A; 1,2,4a,7a-Tetradehydro 	C21H21N3O4	379.153206	NA	MeJP	NA	NA
+MJ050237	2,3-Diaminopropanoic acid, Nitrile, N2-?-L-arabinosyl, N3-?-D-glucopyranoside 	C14H25N3O9	379.159079	NA	MeJP	NA	NA
+MJ050238	Kasugamycin 	C14H25N3O9	379.159079	NA	MeJP	NA	NA
+C17968	Kasugamycin	C14H25N3O9	379.1591	NA	KEGG	NA	NA
+PJ000695	VMM 	C15H29N3O4S2	379.16	NA	PeJP	NA	NA
+PJ000696	SHH 	C15H21N7O5	379.1604	NA	PeJP	NA	NA
+MJ050239	Sinefungin; 4,5-Didehydro 	C15H21N7O5	379.160416	NA	MeJP	NA	NA
+MJ050240	Retusamine 	C19H25NO7	379.163102	NA	MeJP	NA	NA
+MJ050241	Balaperidone 	C22H22FN3O2	379.169605	NA	MeJP	NA	NA
+MJ050242	Droperidol 	C22H22FN3O2	379.169605	NA	MeJP	NA	NA
+PJ000697	PTY 	C18H25N3O6	379.1743	NA	PeJP	NA	NA
+MJ050243	Cathestatin C 	C18H25N3O6	379.174335	NA	MeJP	NA	NA
+PJ000698	VDF 	C18H25N3O6	379.1744	NA	PeJP	NA	NA
+MJ050244	Guanylpirenzepine 	C19H21N7O2	379.175672	NA	MeJP	NA	NA
+MJ050245	14-Hydroxyantofine 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050246	4-Hydroxy-3,6,7-trimethoxyphenanthroindolizidine 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050247	Antofine, N-Oxide(?-) 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050248	Antofine, N-Oxide(?-) 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050249	Atalaphyllidine 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050250	Atalaphylline 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050251	Dioncophylline A; 1''-Hydroxy, O5-de-Me 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050252	Dioncophyllinol B 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050253	Isotylocrebrine, 3-O-De-Me 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050254	Korupensamine A 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050255	Phenoxan 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050256	Tyloindicine C 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050257	Tyloindicine H 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050258	Tylophorine, O-De-Me 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050259	Tylophorine, O7-De-Me 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+MJ050260	Tylophorinine 	C23H25NO4	379.178358	NA	MeJP	NA	NA
+C10645	Atalaphylline	C23H25NO4	379.1784	NA	KEGG	NA	NA
+C12338	Korupensamine A	C23H25NO4	379.1784	NA	KEGG	NA	NA
+C12339	Dioncopeltine A	C23H25NO4	379.1784	NA	KEGG	NA	NA
+C12341	Dioncophyllinol B	C23H25NO4	379.1784	NA	KEGG	NA	NA
+MJ050261	Fumitremorgin C; Natural-form 	C22H25N3O3	379.189591	NA	MeJP	NA	NA
+MJ050262	Niravoline 	C22H25N3O3	379.189591	NA	MeJP	NA	NA
+MJ050263	Nor-C-fluorocurarine, 12-Hydroxy, 11-methoxy, imine, N-Ac 	C22H25N3O3	379.189591	NA	MeJP	NA	NA
+MJ050264	Spiroxatrine 	C22H25N3O3	379.189591	NA	MeJP	NA	NA
+7638	ACE inhibitor from tuna muscles	LTF	379.199	antioxidative	Inhouse_peptide	NA	peptide
+MJ050265	Bulgarsenine; O-Ac 	C20H29NO6	379.199487	NA	MeJP	NA	NA
+MJ050266	Schizanthine A 	C20H29NO6	379.199487	NA	MeJP	NA	NA
+MJ050267	Schizanthine G; 2'Z-Isomer, Et ester analogue 	C20H29NO6	379.199487	NA	MeJP	NA	NA
+MJ050268	Schizanthine G; ?2'',3''-Isomer, Et ester analogue 	C20H29NO6	379.199487	NA	MeJP	NA	NA
+MJ050269	Schizanthine G; Et ester analogue 	C20H29NO6	379.199487	NA	MeJP	NA	NA
+MJ050270	Atevirdine 	C21H25N5O2	379.200825	NA	MeJP	NA	NA
+MJ050271	Icotidine 	C21H25N5O2	379.200825	NA	MeJP	NA	NA
+MJ050272	Niprofazone 	C21H25N5O2	379.200825	NA	MeJP	NA	NA
+MJ050273	4-Amino-N-(9-butyl-9-azabicyclo[3.3.1]non-3-yl)-5-chloro-2-methoxybenzamide 	C20H30ClN3O2	379.202654	NA	MeJP	NA	NA
+MJ050274	Laurcetium(1+); Bromide 	C18H38BrNO2	379.208592	NA	MeJP	NA	NA
+PJ000699	VVY 	C19H29N3O5	379.2107	NA	PeJP	NA	NA
+MJ050275	Donepezil 	C24H29NO3	379.214743	NA	MeJP	NA	NA
+MJ050276	Julandine 	C24H29NO3	379.214743	NA	MeJP	NA	NA
+HMDB05041	Donepezil	C24H29NO3	379.21475	http://www.hmdb.ca/metabolites/HMDB05041	HMDB	NA	NA
+HMDB05041	Donepezil	C24H29NO3	379.21475	HMDB05041	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05041	Donepezil	C24H29NO3	379.214752	NA	HMDB2010	NA	NA
+MJ050277	Antibiotic R 39SF 	C23H29N3O2	379.225977	NA	MeJP	NA	NA
+MJ050278	Celabenzine; Natural-form 	C23H29N3O2	379.225977	NA	MeJP	NA	NA
+MJ050279	Etomidoline 	C23H29N3O2	379.225977	NA	MeJP	NA	NA
+MJ050280	Oxypertine 	C23H29N3O2	379.225977	NA	MeJP	NA	NA
+C10578	Celabenzine	C23H29N3O2	379.226	NA	KEGG	NA	NA
+MJ050281	Antibiotic Ro 09-1547; 4-Me ether, 3-O-(acetamidoacetyl) 	C21H33NO5	379.235873	NA	MeJP	NA	NA
+MJ050282	Celiprolol 	C20H33N3O4	379.247106	NA	MeJP	NA	NA
+HMDB00277	Sphingosine 1-phosphate	C18H38NO5P	379.248749	NA	HMDB2010	NA	NA
+HMDB00277	Sphingosine 1-phosphate	C18H38NO5P	379.24875	http://www.hmdb.ca/metabolites/HMDB00277	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00277	Sphingosine 1-phosphate	C18H38NO5P	379.24875	http://www.hmdb.ca/metabolites/HMDB00277	HMDB	NA	NA
+HMDB00277	Sphingosine 1-phosphate	C18H38NO5P	379.24875	http://www.hmdb.ca/metabolites/HMDB00277	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00277	Sphingosine 1-phosphate	C18H38NO5P	379.24875	HMDB00277	PFEM_hmdb_metabocards_official	NA	NA
+MJ050283	Sphingosine 1-phosphate 	C18H38NO5P	379.248759	NA	MeJP	NA	NA
+C06124	Sphingosine 1-phosphate	C18H38NO5P	379.2488	NA	KEGG	NA	NA
+C06125	Sulfatide	C25H46NO11SR	379.2488	NA	KEGG	NA	NA
+C06126	Digalactosylceramide	C31H56NO13R	379.2488	NA	KEGG	NA	NA
+C06127	Digalactosylceramidesulfate	C31H56NO16SR	379.2488	NA	KEGG	NA	NA
+C06128	GM4	C36H63N2O16R	379.2488	NA	KEGG	NA	NA
+C06129	Ceramidepentasaccharide	C36H63N2O16R	379.2488	NA	KEGG	NA	NA
+C06130	Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer	C57H99N2O32R	379.2488	NA	KEGG	NA	NA
+C06131	Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer	C51H89N2O27R	379.2488	NA	KEGG	NA	NA
+C06132	Type A glycolipid	C59H102N3O32R	379.2488	NA	KEGG	NA	NA
+C06133	GD3	C53H90N3O29R	379.2488	NA	KEGG	NA	NA
+C06134	GD2	C61H103N4O34R	379.2488	NA	KEGG	NA	NA
+C06135	GA2	C39H69N2O18R	379.2488	NA	KEGG	NA	NA
+C06136	GA1	C45H79N2O23R	379.2488	NA	KEGG	NA	NA
+C06138	GT1a	C78H130N5O47R	379.2488	NA	KEGG	NA	NA
+C06139	GQ1	C89H147N6O55R	379.2488	NA	KEGG	NA	NA
+C06140	GT1b	C78H130N5O47R	379.2488	NA	KEGG	NA	NA
+C06141	GD1b	C67H113N4O39R	379.2488	NA	KEGG	NA	NA
+MJ050284	3-Greenwayodendrinol, Ac 	C25H33NO2	379.251129	NA	MeJP	NA	NA
+MJ050285	Aurachin B 	C25H33NO2	379.251129	NA	MeJP	NA	NA
+MJ050286	Aurachin D; N-Hydroxy 	C25H33NO2	379.251129	NA	MeJP	NA	NA
+MJ050287	Crobenetine 	C25H33NO2	379.251129	NA	MeJP	NA	NA
+MJ050288	Nonabine 	C25H33NO2	379.251129	NA	MeJP	NA	NA
+MJ050289	Polyavolensinol; Ac 	C25H33NO2	379.251129	NA	MeJP	NA	NA
+HMDB02304	Leukotriene B4 ethanolamide	C22H37NO4	379.272247	NA	HMDB2010	NA	NA
+HMDB02304	Leukotriene B4 ethanolamide	C22H37NO4	379.27225	http://www.hmdb.ca/metabolites/HMDB02304	HMDB	NA	NA
+HMDB02304	Leukotriene B4 ethanolamide	C22H37NO4	379.27225	HMDB02304	PFEM_hmdb_metabocards_official	NA	NA
+MJ050290	2-(Aminomethyl)-2-propenoic acid; N-(13-Octadecenoyl), Me ester 	C23H41NO3	379.308644	NA	MeJP	NA	NA
+MJ050291	3,5-Solanidadiene 	C27H41N	379.3239	NA	MeJP	NA	NA
+MJ050292	Isooncinotine 	C23H45N3O	379.356263	NA	MeJP	NA	NA
+MJ050293	N',N'',N''-Trimethyl-N-(3-methyl-2,4-dodecadienoyl)spermidine 	C23H45N3O	379.356263	NA	MeJP	NA	NA
+MJ050294	Neooncinotine; Natural-form 	C23H45N3O	379.356263	NA	MeJP	NA	NA
+MJ050295	Oncinotine 	C23H45N3O	379.356263	NA	MeJP	NA	NA
+3635	NA	YPFGFM~	379.6642	MH2+	Inhouse_peptide	NA	peptide
+2800	peptide toxic from alpha-gliadin	QQPYPQ	379.6705	MH2+	Inhouse_peptide	NA	peptide
+MJ050296	4,6-Dibromo-3,7-dichloro-1,2-epoxy-3,7-dimethyloctane 	C10H16Br2Cl2O	379.894495	NA	MeJP	NA	NA
+MJ050297	4,7-Dibromo-3,6-dichloro-1,2-epoxy-3,7-dimethyloctane 	C10H16Br2Cl2O	379.894495	NA	MeJP	NA	NA
+MJ050298	7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Amide 	C10H10Br2N2O4	379.900732	NA	MeJP	NA	NA
+MJ050299	6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate 	C14H8Cl4O4	379.917669	NA	MeJP	NA	NA
+C06645	6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-	C14H8Cl4O4	379.9177	NA	KEGG	NA	NA
+CJneg0570	pyrocatechol sulfate isomer [(2M-H)]-	C12H11O10S2	379.987725	C18rt(min)=4.88 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0570	pyrocatechol sulfate isomer [(2M-H)]-	C12H11O10S2	379.987725	C18rt(min)=4.88 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ050300	Bermudenynol 	C15H19BrCl2O2	379.994547	NA	MeJP	NA	NA
+MJ050301	Palmarumycin C7; 5-Ketone 	C20H9ClO6	380.008765	NA	MeJP	NA	NA
+C16618	6-Thioxanthine 5'-monophosphate	C10H13N4O8PS	380.0192	NA	KEGG	NA	NA
+FL3FADNSS001	Luteolin 3'-methyl ether 7-sulfate	C16H12O9S	380.0202	60048-90-0	knapsack	NA	NA
+FL3FAENSS001	Luteolin 4'-methyl ether 7-sulfate	C16H12O9S	380.0202	60048-91-1	knapsack	NA	NA
+FL3FAENSS002	Luteolin 4'-methyl ether 3'-sulfate	C16H12O9S	380.0202	59176-63-5	knapsack	NA	NA
+FL3FEANSS001	Hispidulin 7-sulfate	C16H12O9S	380.0202	110209-96-6	knapsack	NA	NA
+FL3FEANSS002	Hispidulin 4'-sulfate	C16H12O9S	380.0202	111534-78-2	knapsack	NA	NA
+FL5FABNSS001	Kaempferide 3-O-sulfate	C16H12O9S	380.0202	130827-47-3	knapsack	NA	NA
+FL5FCANSS001	Rhamnocitrin 3-O-sulfate	C16H12O9S	380.0202	60889-06-7	knapsack	NA	NA
+MJ050302	3',5,7-Trihydroxy-4'-methoxyflavone; 3'-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050303	3',5,7-Trihydroxy-4'-methoxyflavone; 7-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050304	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050305	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050306	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050307	4',5,7-Trihydroxy-6-methoxyflavone; 4'-O-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050308	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-Sulfate 	C16H12O9S	380.020202	NA	MeJP	NA	NA
+MJ050309	Econazole 	C18H15Cl3N2O	380.024996	NA	MeJP	NA	NA
+MJ050310	Orconazole 	C18H15Cl3N2O	380.024996	NA	MeJP	NA	NA
+C08068	Econazole	C18H15Cl3N2O	380.025	NA	KEGG	NA	NA
+MJ050311	Maldoxin 	C17H13ClO8	380.029895	NA	MeJP	NA	NA
+MJ050312	2-Chloroadenosine; 5'-O-Sulfamoyl 	C10H13ClN6O6S	380.03058	NA	MeJP	NA	NA
+C03312	Urate D-ribonucleotide	C10H13N4O10P	380.0369	NA	KEGG	NA	NA
+MetaCyc03272	urate D-ribonucleotide []	C10H13N4O10P1	380.036929	NA	metacyc	NA	NA
+MetaCyc03273	quinolinate nucleotide []	C12H15N1O11P1	380.038272	NA	metacyc	NA	NA
+MJ050313	3,5-Dichloro-2,4-dihydroxy-6-methylbenzoic acid; 2-Me ether, 2,6-dideoxy-arabino-hexopyranosyl ester 	C15H18Cl2O7	380.042958	NA	MeJP	NA	NA
+HMDB02666	Thiamine monophosphate	C12H18ClN4O4PS	380.04749	http://www.hmdb.ca/metabolites/HMDB02666	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02666	Thiamine monophosphate	C12H18ClN4O4PS	380.04749	http://www.hmdb.ca/metabolites/HMDB02666	HMDB	NA	NA
+HMDB02666	Thiamine monophosphate	C12H18ClN4O4PS	380.04749	http://www.hmdb.ca/metabolites/HMDB02666	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02666	Thiamine monophosphate	C12H18ClN4O4PS	380.04749	HMDB02666	PFEM_hmdb_metabocards_official	NA	NA
+MJ050314	Verongamine 	C15H17BrN4O3	380.048403	NA	MeJP	NA	NA
+C12368	Tetracenomycin D3	C20H12O8	380.0532	NA	KEGG	NA	NA
+MJ050315	1-(6-Hydroxy-4-oxo-4H-1-pyran-2-yl)-4,5,7-trihydroxy-2-methylanthraquinone 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050316	9-Acetyl-1,3,8,10,11-pentahydroxy-5,12-naphthacenedione 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050317	Antibiotic RF 3192C 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050318	Cycloleucomelone; 2-Ac 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050319	Cycloleucomelone; 8-Ac 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050320	Preussomerin A; 3'?-Hydroxy, 2',3'-dihydro, 1,1'-diketone 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050321	Tetracenomycin D3 	C20H12O8	380.053217	NA	MeJP	NA	NA
+MJ050322	Lecanoric acid; 3-Chloro, 4-Me ether, Me ester 	C18H17ClO7	380.06628	NA	MeJP	NA	NA
+MJ050323	Obtusatic acid; 5-Chloro, O-de-Me, Me ester 	C18H17ClO7	380.06628	NA	MeJP	NA	NA
+MJ050324	Piclamilast 	C18H18Cl2N2O3	380.069447	NA	MeJP	NA	NA
+MJ050325	2',4,5,6,6'-Pentahydroxydiphenyl ether 2,4'-dicarboxylic acid; 4-Me ether, 1''-Et ester 	C17H16O10	380.074346	NA	MeJP	NA	NA
+MJ050326	4-Hydroxybenzyl alcohol; 4-Me ether, ?-O-(2-O-sulfo-?-D-glucopyranoside) 	C14H20O10S	380.077717	NA	MeJP	NA	NA
+C10559	Diphyllin	C21H16O7	380.0896	NA	KEGG	NA	NA
+C12373	Tetracenomycin F1 methylester	C21H16O7	380.0896	NA	KEGG	NA	NA
+MJ050327	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',4'-di-Me ether 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050328	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',7-di-Me ether 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050329	3,3',4,4',7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 3,7-di-Me ether 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050330	Antibiotic RF 3192A; 4'-Deoxy 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050331	Coumetarol 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050332	Dictyomedin A 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050333	Didymocalyxin C 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050334	Diphyllin 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050335	Hemsleyanol E 	C21H16O7	380.089602	NA	MeJP	NA	NA
+MJ050336	Parviflorol 	C21H16O7	380.089602	NA	MeJP	NA	NA
+C11190	Rhodamine 123	C21H17N2O3	380.0928	NA	KEGG	NA	NA
+CJneg0571	Hippuric acid [(2M-2H+Na)]-	C18H16N2NaO6	380.099025	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0571	Hippuric acid [(2M-2H+Na)]-	C18H16N2NaO6	380.099025	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C04572	S-(N-Hydroxy-N-methylcarbamoyl)glutathione	C12H20N4O8S	380.1002	NA	KEGG	NA	NA
+PJ000700	GSCD 	C12H20N4O8S	380.1002	NA	PeJP	NA	NA
+C07177	Methicillin	C17H20N2O6S	380.1042	NA	KEGG	NA	NA
+MJ050337	Meticillin 	C17H20N2O6S	380.104207	NA	MeJP	NA	NA
+MJ050338	Plumbemycin A; 3'-Amide 	C12H21N4O8P	380.1097	NA	MeJP	NA	NA
+MJ050339	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 5?,6?-Epoxide, 1'-benzoyl, 3,4-di-Ac 	C18H20O9	380.110732	NA	MeJP	NA	NA
+MJ050340	Chlorotrianisene 	C23H21ClO3	380.117922	NA	MeJP	NA	NA
+PJ000701	CQM 	C13H24N4O5S2	380.1188	NA	PeJP	NA	NA
+MJ050341	3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione; N,N-Di-de-Me, O-(3-methyl-2-butenyl) 	C18H24N2O3S2	380.122834	NA	MeJP	NA	NA
+FL1CBCNP0001	Glabrachromene I	C22H20O6	380.12598	40958-05-2	knapsack	NA	NA
+FL2F2CNP0001	Ovalichromene A	C22H20O6	380.12598	62868-04-6	knapsack	NA	NA
+FL2FBCNP0001	Isoglabrachromene	C22H20O6	380.12598	138590-91-7	knapsack	NA	NA
+FL3F2CNI0001	Millettocalyxin B;2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one	C22H20O6	380.12598	422308-56-3	knapsack	NA	NA
+FL3FA9NP0007	Multijuginol;(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C22H20O6	380.12598	58276-83-8	knapsack	NA	NA
+FL3FCCNP0001	Muxiangrin II;Muxiangrine II;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one	C22H20O6	380.12598	223917-02-0	knapsack	NA	NA
+FL5F2ANP0001	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone	C22H20O6	380.12598	157072-30-5	knapsack	NA	NA
+FL5FDANF0002	Vellokaempferol 3,5-dimethyl ether	C22H20O6	380.12598	148335-01-7	knapsack	NA	NA
+FL5FDBNF0001	Vellokaempferol 3,4'-dimethyl ether	C22H20O6	380.12598	-	knapsack	NA	NA
+FLIA1LNI0001	Maximaisoflavone C	C22H20O6	380.12598	10489-51-7	knapsack	NA	NA
+FLIA2CNI0001	Predurmillone;7-Hydroxy-6-methoxy-3',4'-methylenedioxy-8-prenylisoflavone	C22H20O6	380.12598	130286-69-0	knapsack	NA	NA
+FLIA3CNI0001	7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone	C22H20O6	380.12598	82345-37-7	knapsack	NA	NA
+FLIEDANI0001	1-O-Methylglycyrol;5-O-Methylglycyrol;9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan	C22H20O6	380.12598	23013-85-6	knapsack	NA	NA
+FLIHBBNP0001	Robustic acid	C22H20O6	380.12598	5307-59-5	knapsack	NA	NA
+MJ050342	1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-1,3-propanedione; Diketo-form 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050343	2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2'-Me ether, 7-O-(3-methyl-2-butenyl) 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050344	3',4',6,7-Tetrahydroxy-8-prenylisoflavone; 6-Me, 3',4'-methylene ether 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050345	3',4',7,8-Tetrahydroxyisoflavone; 3',4'-Methylene ether, 7-O-(3-methyl-2-butenyl), O8-Me 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050346	5-Hydroxy-2-phenyl-1,8-napthalenedicarboxylic acid; 4'-Methoxy, Me ether, di-Me ester 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050347	Abyssinoflavanone IV 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050348	Citrusinol; 3,6-Di-Me ether 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050349	Durallone; 6-De-O-Me 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050350	Glabrachromene I 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050351	Goniodiol; 5?-Hydroxy, 2'-O-cinnamoyl(E-) 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050352	Indicanin A 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050353	Isoglabrachromene 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050354	Multijuginol 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050355	Muxiangrine II 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050356	Ovalichromene A 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050357	Phyllamyricin B 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050358	Psoralidin; 1-Methoxy, 3-Me ether 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050359	Robustic acid 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050360	Vellokaempferol; 3,4'-Di-Me ether 	C22H20O6	380.125988	NA	MeJP	NA	NA
+MJ050361	Vellokaempferol; 3,5-Di-Me ether 	C22H20O6	380.125988	NA	MeJP	NA	NA
+C14612	Rubrophen	C22H20O6	380.126	NA	KEGG	NA	NA
+C08358	2-Methoxyestrone 3-sulfate	C19H24O6S	380.1294	NA	KEGG	NA	NA
+PJ000702	CCR 	C12H24N6O4S2	380.1301	NA	PeJP	NA	NA
+MJ050362	Biclotymol 	C21H26Cl2O2	380.130985	NA	MeJP	NA	NA
+MJ050363	Muralioside 	C15H24O11	380.131861	NA	MeJP	NA	NA
+MJ050364	Paulownioside 	C15H24O11	380.131861	NA	MeJP	NA	NA
+MJ050365	Scabrosidol 	C15H24O11	380.131861	NA	MeJP	NA	NA
+MJ050366	Sphaerococcenol A 	C20H29BrO2	380.135092	NA	MeJP	NA	NA
+PJ000703	GSSM 	C13H24N4O7S	380.1366	NA	PeJP	NA	NA
+MJ050367	Fumaramine 	C21H20N2O5	380.137221	NA	MeJP	NA	NA
+MJ050368	Kopsifine; De(methoxycarbonyl) 	C21H20N2O5	380.137221	NA	MeJP	NA	NA
+MJ050369	Amosulalol 	C18H24N2O5S	380.140592	NA	MeJP	NA	NA
+MJ050370	Antibiotic WS 75624A 	C18H24N2O5S	380.140592	NA	MeJP	NA	NA
+MJ050371	Antibiotic WS 75624B 	C18H24N2O5S	380.140592	NA	MeJP	NA	NA
+MJ050372	Apiosporamide 	C18H24N2O5S	380.140592	NA	MeJP	NA	NA
+MJ050373	Egtazic acid 	C14H24N2O10	380.143094	NA	MeJP	NA	NA
+MJ050374	Enkastine; Enkastine 6 	C14H24N2O10	380.143094	NA	MeJP	NA	NA
+MetaCyc03274	EGTA [ethyleneglycol-bis-N,N'-tetraacetic acid;]	C14H24N2O10	380.143095	NA	metacyc	NA	NA
+MJ050375	1,10:14,15-Diepoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-(2-hydroxymethylpropenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050376	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050377	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8,13-Di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050378	1,3,13-Trihydroxy-4,7(11),10(14)-germacratrien-12,6-olide, 1-Hydroperoxide, 3,13-di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050379	1,3,13-Trihydroxy-4,7(11),9-germacratrien-12,6-olide, 1-Hydroperoxide, 3,13-di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050380	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-(2-Methylpropenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050381	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(Methylpropenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050382	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050383	10-Hydroxy-3,11-dodecadiene-6,8-diynoic acid, O-?-D-Glucopyranoside, Me ester 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050384	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 2,9-Di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050385	3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methyl-2-propenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050386	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050387	3,8,9,10-Tetrahydroxy-4,11(13)-guaiadien-12,6-olide, 8,9-Di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050388	4,5,8,9-Tetrahydroxy-3-oxo-1(10),11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050389	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050390	4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 8,13-Di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050391	4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,13-Di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050392	8,13-Dihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 1?,10S;4?,5?-Diepoxide, 8,13-di-Ac 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050393	8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-(2-Methylpropenoyl) 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050394	Cedronolactone B; 15?-Hydroxy 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050395	Gibberellin A3; 12?,15?-Dihydroxy, 1,2-dihydro 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050396	Gibberellin A8; 12?-Hydroxy 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050397	Gibberellin A8; 15?-Hydroxy 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050398	Hypothemicin; 13,14-Dihydro 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050399	Indaquassin A 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050400	Neosolaniol; 8-Ketone 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050401	Parthoxetin 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050402	Polyandrol 	C19H24O8	380.147117	NA	MeJP	NA	NA
+MJ050403	Pretoxin 	C19H24O8	380.147117	NA	MeJP	NA	NA
+C13542	Lactitol dihydrate	C12H24O11	380.153	NA	KEGG	NA	NA
+C13543	Transferred to D02040	C12H24O11	380.153	NA	KEGG	NA	NA
+C13544	Transferred to D02041	C12H24O11	380.153	NA	KEGG	NA	NA
+PJ000704	SSST 	C13H24N4O9	380.1543	NA	PeJP	NA	NA
+PJ000705	CKM 	C14H28N4O4S2	380.1552	NA	PeJP	NA	NA
+MJ050404	5-Chloro-4-[[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]amino]-3(2H)-pyridazinone 	C18H25ClN4O3	380.161518	NA	MeJP	NA	NA
+FL1CHYNP0008	Praecanson A	C23H24O5	380.16237	74517-76-3	knapsack	NA	NA
+FL1CHYNP0010	7-Methoxypraecansone B;6'',6''-Dimethylpyrano[2'',3'':4',3']-2',6',beta-trimethoxychalcone	C23H24O5	380.16237	-	knapsack	NA	NA
+MJ050405	1,3,5-Trihydroxy-2,4-diprenylxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050406	1,3,5-Trihydroxy-4,8-diprenylxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050407	1,3,7-Trihydroxy-2,4-diprenylxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050408	1,3,7-Trihydroxy-2,8-diprenylxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050409	1,3,7-Trihydroxyxanthone; 7-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050410	1,4,5-Trihydroxy-3,6-diprenylxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050411	2,6,8-Trihydroxy-1,5-diprenylxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050412	2-(3,7-Dimethyl-2,6-octadienyl)-1,3,5-trihydroxyxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050413	4-(3,7-Dimethyl-2,6-octadienyl)-1,3,5-trihydroxyxanthone 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050414	6-Benzoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran; 9,10-Dihydro, 9-hydroxy 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050415	Clusiaphenone D 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050416	Cudraphenone C 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050417	Egonol; Demethoxy, O-(2-methylbutanoyl) 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050418	Folipastatin 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050419	Fusariocin A 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050420	Garciniaxanthone A 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050421	Garcinone A 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050422	Glyasperin G 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050423	Purpurenone; 7-Methoxy, 1'-Me enol ether 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050424	Rotiorin 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050425	Rubrorotiorin; 7-Epimer, dechloro 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050426	Tomentonone; 3,4-Didehydro 	C23H24O5	380.162373	NA	MeJP	NA	NA
+MJ050427	Vismiaphenone B; 4'-Hydroxy 	C23H24O5	380.162373	NA	MeJP	NA	NA
+C15050	2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol	C23H24O5	380.1624	NA	KEGG	NA	NA
+MJ050428	4-[5-(4-Chlorophenyl)-4-methyl-3-isoxazolyl]-1-(2-phenylethyl)piperidine 	C23H25ClN2O	380.165541	NA	MeJP	NA	NA
+MJ050429	Ecabet 	C20H28O5S	380.165744	NA	MeJP	NA	NA
+8032	synthetic peptide	PHQ	380.168	antibacterial	Inhouse_peptide	NA	peptide
+MJ050430	2-Methyl-3-buten-2-ol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C16H28O10	380.168247	NA	MeJP	NA	NA
+MJ050431	3-Methyl-2-buten-1-ol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C16H28O10	380.168247	NA	MeJP	NA	NA
+MJ050432	3-Methyl-2-buten-1-ol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C16H28O10	380.168247	NA	MeJP	NA	NA
+MJ050433	3-Methyl-3-buten-1-ol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C16H28O10	380.168247	NA	MeJP	NA	NA
+MJ050434	Cutinostatin B 	C17H24N4O6	380.169584	NA	MeJP	NA	NA
+PJ000706	AQY 	C17H24N4O6	380.1696	NA	PeJP	NA	NA
+MJ050435	N-[[2-Methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-3-piperidinamine 	C20H23F3N2O2	380.171162	NA	MeJP	NA	NA
+C09255	Vomicine	C22H24N2O4	380.1736	NA	KEGG	NA	NA
+MJ050436	?-Colubrine; 16-Hydroxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050437	?-Colubrine; Nb-Oxide 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050438	Alstonidine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050439	Brucine; 10-O-De-Me 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050440	Corynantheidinaline; 9-Methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050441	Craspidospermine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050442	Dehydrovoachalotine; 17?-Hydroxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050443	Di-4-coumaroylputrescine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050444	Fruticosine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050445	Icajine; 15-Hydroxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050446	Icajine; N-Oxide 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050447	Isobrucine; 2-O-De-Me 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050448	Kopsine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050449	Kopsinone; 10-Methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050450	Kopsinone; 12-Methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050451	Myrtoidine; Demethoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050452	Nareline; 5-Epimer, Et ether 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050453	Nareline; Et ether 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050454	Pagicerine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050455	Perakine; 10-Methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050456	Peronatin B; 7,7'-Dimethoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050457	Rhazinaline; 16-Epimer, (Z)-isomer, 5?-methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050458	Tabersonine, 3-Oxo, 11-methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050459	Vomicine 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050460	Vomilenine; 10-Methoxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050461	?-Colubrine; 12-Hydroxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050462	?-Colubrine; 16-Hydroxy 	C22H24N2O4	380.173607	NA	MeJP	NA	NA
+MJ050463	Chlorovulones 	C21H29ClO4	380.175437	NA	MeJP	NA	NA
+MJ050464	Hamiltonin D 	C21H29ClO4	380.175437	NA	MeJP	NA	NA
+PJ000707	PQH 	C16H24N6O5	380.1808	NA	PeJP	NA	NA
+C08756	Chaparrin	C20H28O7	380.1835	NA	KEGG	NA	NA
+C17643	Cinncassiol C1	C20H28O7	380.1835	NA	KEGG	NA	NA
+MJ050465	1,10-Epoxy-3,4,8-trihydroxy-11(13)-germacren-12,6-olide, 8-Angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050466	1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 6-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050467	1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050468	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 3-ketone, 8-(2-methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050469	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050470	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050471	1,10:7,8-Diepoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050472	1,10:7,8-Diepoxy-3,6-dihydroxy-12,8-eremophilanolide, 6-(3-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050473	1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050474	1,3,6-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid, 6-(3-Hydroxy-2-methylenepropanoyl), Me ester 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050475	1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide, 8-(3-Hydroxy-2-methylenebutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050476	1,6,7,14,15-Pentahydroxy-16-kauren-20,7-olide 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050477	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(2,3-Dihydroxy-2-methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050478	13,16-Epoxy-7,12-dihydroxy-6,14-dioxo-3-cleroden-15-al, 18-Hydroxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050479	13-Hydroxyingenol; 19-Hydroxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050480	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050481	15,16-Epoxy-3,4,7,10-tetrahydroxy-13(16),14-clerodadien-20,12-olide 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050482	15,16-Epoxy-4,6,18,19-tetrahydroxy-13(16),14-clerodadien-20,12-olide 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050483	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050484	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050485	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 1-Me ether 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050486	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 3-Me ether 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050487	3,10-Epoxy-3,8,14-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050488	3,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050489	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 11-Hydroperoxide, 1-(3-methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050490	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 7?,14-Epoxide, 1-(3-methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050491	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 7?,14-Epoxide, 1-(3-methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050492	3,4-Epoxy-2,8,10-trihydroxy-11(13)-guaien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050493	3,4-Epoxy-2,8,10-trihydroxy-11(13)-guaien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050494	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3-Angeloyl, 5-(4-hydroxy-2-methyl-2-butenoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050495	3,6,8,9-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050496	3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050497	3,8-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 2-Me ether, 8-(2-methylpropanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050498	4,5-Epoxy-2,3,8-trihydroxy-1(10)-germacren-12,6-olide, 8-Angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050499	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-?-L-Arabinopyranoside 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050500	4-Hydroxy-9,11(13)-guaiadien-12,8-olide, O-?-L-Arabinopyranoside 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050501	5,11-Epoxy-2,4,13-trihydroxy-12,8-guaianolide, 2-Angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050502	5,11-Epoxy-2,4,13-trihydroxy-12,8-guaianolide, 2-Tigloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050503	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-O-(2-Hydroxymethylpropenoyl), Me ester 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050504	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(3-Methyl-2-butenoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050505	8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), Me ester 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050506	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050507	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050508	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050509	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 9-(3-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050510	8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050511	Chaparrin 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050512	Cinncassiol C1 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050513	Dugaldiolide; 2?-Tigloyloxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050514	Hymenoxon; 2?-Tigloyloxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050515	Klaineanone; 15?-Hydroxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050516	Klaineanone; 20-Hydroxy 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050517	Pterosin B, O-?-D-Glucopyranoside 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050518	Pterosin D, 10-O-?-L-Arabinopyranoside 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050519	Trichorabdonin 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050520	Valtrate; 11-De-Ac 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050521	Valtrate; 7,11-Bisdeacyl, 11-O-(3-methylbutanoyl) 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MJ050522	p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7-(2-Methylbutanoyl), 9-angeloyl 	C20H28O7	380.183503	NA	MeJP	NA	NA
+MetaCyc03275	GA98 [gibberellin A98;gibberellin A98;GA98;]	C20H28O7	380.183503	NA	metacyc	NA	NA
+MetaCyc03276	GA38 [gibberellin A38;gibberellin A38;GA38;]	C20H28O7	380.183503	NA	metacyc	NA	NA
+MJ050523	3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione 	C21H24N4O3	380.18484	NA	MeJP	NA	NA
+3750	dipeptidyl carboxypeptidase inhibitor	PPPA	380.193	ACE inhibitor	Inhouse_peptide	NA	peptide
+3771	dipeptidyl carboxypeptidase inhibitor	PPAP	380.193	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ050524	1,2-Bis[2-(3,4-dimethoxyphenyl)ethenyl]cyclobutane 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050525	10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050526	14-Hydroxy-3-oxobufa-1,4,20,22-tetraenolide; 14?-form 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050527	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Cinnamoyl (E-) 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050528	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; Cinnamoyl (Z-) 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050529	2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 2-Me ether 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050530	2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 4-Me ether 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050531	2,4,6-Trihydroxybenzophenone; 2-Me ether, 4-O-(3,6-dimethyl-2,7-octadienyl)(E-) 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050532	2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, O-Cinnamoyl 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050533	Angelicolide 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050534	Angeolide 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050535	Chlorophorin 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050536	Clausarin 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050537	E 232 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050538	Ferprenin; 12'-Hydroxy 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050539	Ferprenin; 15'-Hydroxy 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050540	Ferulenol; 12'-Oxo 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050541	Gancaonin U 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050542	Hippospongin D 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050543	Kinocoumarin 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050544	Kopetdaghin; 3'-Ketone 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050545	Levistolide 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050546	Marupone 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050547	Nordentatin; O-(1,1-Dimethyl-2-propenyl) 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050548	Nordentatin; O-(3-Methyl-2-butenyl) 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050549	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Deoxy, 6'-ketone 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050550	O-(3-Hydroxy-6,8(12)-drimadien-11-yl)umbelliferone 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050551	O-(3-Hydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050552	O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, 3'-Ketone 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050553	Riligustilide 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050554	Senkyunolide O 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050555	Ternatin 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050556	Tokinolide A 	C24H28O4	380.198759	NA	MeJP	NA	NA
+MJ050557	Tokinolide B 	C24H28O4	380.198759	NA	MeJP	NA	NA
+C08608	Norbixin	C24H28O4	380.1988	NA	KEGG	NA	NA
+C10250	Chlorophorin	C24H28O4	380.1988	NA	KEGG	NA	NA
+C07004	Fludrocortisone	C21H29FO5	380.1999	NA	KEGG	NA	NA
+MJ050558	Fludrocortisone 	C21H29FO5	380.199902	NA	MeJP	NA	NA
+8028	synthetic peptide	PHK	380.204	antibacterial	Inhouse_peptide	NA	peptide
+PJ000708	AKY 	C18H28N4O5	380.206	NA	PeJP	NA	NA
+MJ050559	Acoxatrine 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050560	Bopindolol 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050561	Caracurine VII; Na-Ac, Et ether 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050562	Mindodilol 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050563	Retuline; 16-Epimer, O-Ac 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050564	Retuline; O-Ac 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050565	Tetraphyllicine; 10-Methoxy, O-Ac 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050566	Tropapride 	C23H28N2O3	380.209992	NA	MeJP	NA	NA
+MJ050567	Polyneuridine; N1,N4-Di-Me 	C23H29N2O3(+)	380.209992	NA	MeJP	NA	NA
+MJ050568	Arpromidine 	C21H25FN6	380.212473	NA	MeJP	NA	NA
+C15112	4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate	C22H30F2O3	380.2163	NA	KEGG	NA	NA
+PJ000709	PKH 	C17H28N6O4	380.2172	NA	PeJP	NA	NA
+MJ050569	18,19-Epoxy-3,4,19-trihydroxy-13-cleroden-15,16-olide, 19-Me ether 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050570	2,6,10-Farnesatriene-1,8,12-triol, Tri-Ac 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050571	2-Hydroxy-4-methoxy-6-(13-hydroxy-2-oxotridecyl)benzoic acid 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050572	3,10-Epoxy-3,8-dihydroxy-11(13)-germacren-12,6-olide, O3-Et, 8-(2-methylpropanoyl) 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050573	3,17,20-Trihydroxy-11-oxopregnan-21-oic acid 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050574	3,4,5-Trihydroxybenzoic acid; 3-O-Dodecanoyl, Et ester 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050575	3,4-Dihydroxy-13-cleroden-16,15-olid-18-oic acid, Me ester 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050576	3,8,11,12,14-Pentahydroxypregn-5-en-20-one 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050577	3,8,12,14,15-Pentahydroxypregn-5-en-20-one 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050578	3,8,12,14,17-Pentahydroxypregn-5-en-20-one 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050579	3,8,12,14,20-Pentahydroxypregn-5-en-1-one 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050580	5-Tridecyl-1,3-benzenediol; 2'?-Acetoxy, 7'?-hydroxy, 8'-oxo 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050581	6,7,17-Trihydroxy-15,16-isocopalanedioic acid, 15?17 Lactone, Me ester 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050582	6-Guaiene-4,9,10-triol, Tri-Ac 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050583	7,20-Epoxy-1,6,7,17-tetrahydroxy-15-kauranone, 17-Me ether 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050584	8(12)-Drimene-1,2,11-triol, Tri-Ac 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050585	8,17:14,15-Diepoxy-3,6-dihydroxy-12-labden-16-oic acid, Me ester 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050586	Alternaric acid; 10,11-Dideoxy, 6,19-dihydro 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050587	Galbonolide A 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050588	Galbonolide B; 21-Hydroxy 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050589	Galbonolide D 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050590	Gingerdiols; [6]-Gingerdiol, 3,5-Di-Ac 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050591	Javanicin L 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050592	Nigakihemiacetal C 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050593	Planaxool 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050594	Rustmicin 	C21H32O6	380.219888	NA	MeJP	NA	NA
+MJ050595	1,19-Diisothiocyanato-1,18-nonadecadiene, 1,2-Dihydro 	C21H36N2S2	380.23199	NA	MeJP	NA	NA
+MJ050596	2-(1,4,7,10,13,16-Nonadecahexaenyl)-1,3,5-benzenetriol 	C25H32O3	380.235144	NA	MeJP	NA	NA
+MJ050597	4-Hydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one 	C25H32O3	380.235144	NA	MeJP	NA	NA
+MJ050598	Nylestriol 	C25H32O3	380.235144	NA	MeJP	NA	NA
+MJ050599	Antibiotic TAN 1251B; 3'-Deoxy 	C24H32N2O2	380.246378	NA	MeJP	NA	NA
+MJ050600	Eprazinone 	C24H32N2O2	380.246378	NA	MeJP	NA	NA
+HMDB02082	Bisnorcholic acid	C22H36O5	380.25626	http://www.hmdb.ca/metabolites/HMDB02082	HMDB	NA	NA
+HMDB02082	Bisnorcholic acid	C22H36O5	380.25626	HMDB02082	PFEM_hmdb_metabocards_official	NA	NA
+MJ050601	1,15,19-Trihydroxy-2,6,13-phytatrien-12-one, 19-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050602	1,19-Dihydroxy-2,6-14-phytatrien-18-oic acid, 19-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050603	11,15-Dihydroxy-16,16-dimethyl-9-oxo-5,13-prostadienoic acid 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050604	2,19-Dihydroxy-7-labden-15-oic acid, 19-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050605	2,6,10,14-Phytatetraene-1,12,19,20-tetrol, 19-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050606	3,19-Dihydroxy-7-labden-15-oic acid, 19-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050607	3,19-Dihydroxy-7-labden-15-oic acid, 3-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050608	3,4-Epoxy-7-dolabellene-10,18-diol, 7?,8?-Epoxide, 18-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050609	3,7-Dolabelladiene-6,10,12,16-tetrol, 6-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050610	3-Clerodene-6,15,17,18-tetrol, 18-Aldehyde, 17-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050611	4(18)-Erythroxylene-1,11,15,16-tetrol, 1-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050612	5-Rosene-3,15,16,19-tetrol, 3-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050613	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 13'-hydroxy, 3-Me ether 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050614	5-Tridecyl-1,3-benzenediol; 2'R-Acetoxy, 8'-hydroxy, 3-Me ether 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050615	6,13-Epoxy-3-eunicellene-8,9,12-triol, 12-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050616	6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 12-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050617	6,7-Epoxy-2,10,14-phytatriene-1,12,20-triol, 12-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050618	7,14-Dihydroxy-15-nor-16-isocopalanoic acid, 7-Ac, Me ester 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050619	7,18-Dihydroxy-8(17)-labden-15-oic acid, 18-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050620	8(14)-Pimarene-2,15,16,19-tetrol, 15-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050621	8(14)-Pimarene-2,15,16,19-tetrol, 16-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050622	8(17),13-Labdadiene-2,7,15,19-tetrol, 19-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050623	8,13-Epoxy-11,14,15-labdanetriol, 11-Ketone, 15-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050624	8-Methylpodopyrone; 10'-Acetoxy 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050625	9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 15-Et ether 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050626	Aphidicolin; 17-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050627	Aphidicolin; 3,18-Orthoacetate 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050628	Byssomeruliol C 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050629	Cycloschkuriadiol; 16-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050630	Enisoprost 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050631	Hydroxyancepsenolide 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050632	Limaprost 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050633	Membrenone A 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050634	Phanerosporic acid 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050635	Pregn-5-ene-3,14,17,20,21-pentol, 21-Me ether 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050636	Prostalene 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050637	Sarcotol; 6?-Hydroxy, 11-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050638	Sartol B; 11-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+MJ050639	Sclerophytin A; 9-Ac 	C22H36O5	380.256274	NA	MeJP	NA	NA
+HMDB02082	Bisnorcholic acid	C22H36O5	380.256287	NA	HMDB2010	NA	NA
+MJ050640	1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol; 2-Ketone 	C26H36O2	380.27153	NA	MeJP	NA	NA
+MJ050641	2-Polyprenyl-1,4-benzenediol; 2-Tetraprenyl-1,4-benzenediol, Quinone 	C26H36O2	380.27153	NA	MeJP	NA	NA
+MJ050642	Cacospongin B; p-Quinone 	C26H36O2	380.27153	NA	MeJP	NA	NA
+MJ050643	1,2-Dihydroxy-12,15-heneicosadien-4-one, 1-Ac 	C23H40O4	380.292659	NA	MeJP	NA	NA
+MJ050644	1,2-Dihydroxy-12,15-heneicosadien-4-one, 2-Ac 	C23H40O4	380.292659	NA	MeJP	NA	NA
+MJ050645	Untenone A 	C23H40O4	380.292659	NA	MeJP	NA	NA
+HMDB11545	MG(0:0/20:3(11Z,14Z,17Z)/0:0)	C23H40O4	380.292664	NA	HMDB2010	NA	NA
+HMDB11546	MG(0:0/20:3(5Z,8Z,11Z)/0:0)	C23H40O4	380.292664	NA	HMDB2010	NA	NA
+HMDB11547	MG(0:0/20:3(8Z,11Z,14Z)/0:0)	C23H40O4	380.292664	NA	HMDB2010	NA	NA
+HMDB11575	MG(20:3(11Z,14Z,17Z)/0:0/0:0)	C23H40O4	380.292664	NA	HMDB2010	NA	NA
+HMDB11576	MG(20:3(5Z,8Z,11Z)/0:0/0:0)	C23H40O4	380.292664	NA	HMDB2010	NA	NA
+HMDB11577	MG(20:3(8Z,11Z,14Z)/0:0/0:0)	C23H40O4	380.292664	NA	HMDB2010	NA	NA
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR398	Calcitriol F3	NA	380.306775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR398	Calcitriol F3	NA	380.306775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR398	Calcitriol F3	NA	380.306775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR398	Calcitriol F3	NA	380.306775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR398	Calcitriol F3	F3	380.306775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ050646	19-Norergosta-5(10),6,8,22-tetraen-3-ol 	C27H40O	380.307915	NA	MeJP	NA	NA
+MJ050647	Cholesta-4,6,8(14)-trien-3-ol; 3-Ketone 	C27H40O	380.307915	NA	MeJP	NA	NA
+MJ050648	Phycomysterol B; 24,28-Didehydro 	C27H40O	380.307915	NA	MeJP	NA	NA
+MJ050649	Psylloborine A 	C26H40N2	380.319149	NA	MeJP	NA	NA
+MJ050650	10,12-Pentacosanedione 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050651	16-Pentacosenoic acid 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050652	17-Pentacosenoic acid 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050653	18-Pentacosenoic acid 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050654	19-Pentacosenoic acid 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050655	4,6-Pentacosanedione 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050656	4-Heptanol; 3-Octadecenoyl(Z-) 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050657	6,8-Pentacosanedione 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050658	7,9-Pentacosanedione 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050659	8,10-Pentacosanedione 	C25H48O2	380.36543	NA	MeJP	NA	NA
+MJ050660	Cyclopentaneheneicosanol 	C26H52O	380.401816	NA	MeJP	NA	NA
+MJ050661	Hexacosanal 	C26H52O	380.401816	NA	MeJP	NA	NA
+MJ050662	2-Methylhexacosane 	C27H56	380.438201	NA	MeJP	NA	NA
+MJ050663	Heptacosane 	C27H56	380.438201	NA	MeJP	NA	NA
+MJ050664	3,5,7-Tribromo-6-methoxy-1H-indole 	C9H6Br3NO	380.799951	NA	MeJP	NA	NA
+MJ050665	4,6-Dibromo-2,3-bis(methylthio)-1H-indole; 2-S-Oxide 	C10H9Br2NOS2	380.84923	NA	MeJP	NA	NA
+MJ050666	4,6-Dibromo-2,3-bis(methylthio)-1H-indole; 3-S-Oxide 	C10H9Br2NOS2	380.84923	NA	MeJP	NA	NA
+MJ050667	7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid 	C10H9Br2NO5	380.884747	NA	MeJP	NA	NA
+HMDB00843	N-Acetylgalactosamine 4,6-disulfate	C8H15NO12S2	381.00357	http://www.hmdb.ca/metabolites/HMDB00843	HMDB	NA	NA
+HMDB00843	N-Acetylgalactosamine 4,6-disulfate	C8H15NO12S2	381.00357	HMDB00843	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00843	N-Acetylgalactosamine 4,6-disulfate	C8H15NO12S2	381.003571	NA	HMDB2010	NA	NA
+MetaCyc03277	N-acetyl-D-glucosamine-1,6-diphosphate [N-acetyl-D-glucosamine-1,6-P2;]	C8H17N1O12P2	381.022598	NA	metacyc	NA	NA
+C04461	N-Acetyl-D-glucosamine 1,6-bisphosphate	C8H17NO12P2	381.0226	NA	KEGG	NA	NA
+C11097	F5231	C12H14ClF2N5O3S	381.0474	NA	KEGG	NA	NA
+MJ050668	Mebutizide 	C13H20ClN3O4S2	381.058375	NA	MeJP	NA	NA
+MetaCyc03278	2-amino-5-formylamino-6-hydroxy-4-(5 phosphoribosylamino)-pyrimidine [2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one;]	C10H16N5O9P1	381.068564	NA	metacyc	NA	NA
+C15563	2-Amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one	C10H16N5O9P	381.0686	NA	KEGG	NA	NA
+C15564	(R)-2-Haloacid	C2H2O2XR	381.0686	NA	KEGG	NA	NA
+C15565	(S)-2-Hydroxyacid	C2H3O3R	381.0686	NA	KEGG	NA	NA
+C10946	Metsulfuron methyl	C14H15N5O6S	381.0743	NA	KEGG	NA	NA
+HMDB05014	Celecoxib	C17H14F3N3O2S	381.07587	http://www.hmdb.ca/metabolites/HMDB05014	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05014	Celecoxib	C17H14F3N3O2S	381.07587	http://www.hmdb.ca/metabolites/HMDB05014	HMDB	NA	NA
+HMDB05014	Celecoxib	C17H14F3N3O2S	381.07587	http://www.hmdb.ca/metabolites/HMDB05014	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05014	Celecoxib	C17H14F3N3O2S	381.07587	HMDB05014	PFEM_hmdb_metabocards_official	NA	NA
+MJ050669	Celecoxib 	C17H14F3N3O2S	381.075882	NA	MeJP	NA	NA
+HMDB05014	Celecoxib	C17H14F3N3O2S	381.075897	NA	HMDB2010	NA	NA
+C07589	Celecoxib	C17H14F3N3O2S	381.0759	NA	KEGG	NA	NA
+MJ050670	Isaglitazone 	C21H16FNO3S	381.083492	NA	MeJP	NA	NA
+MJ050671	4-Hydroxy-6-methylpretetramide 	C20H15NO7	381.084851	NA	MeJP	NA	NA
+MJ050672	1,3,4,10,11,12-Hexahydroxy-6-methyl-2-naphthacenecarboxamide 	C20H15NO7	381.084851	NA	MeJP	NA	NA
+MJ050673	Fumaflorine 	C20H15NO7	381.084851	NA	MeJP	NA	NA
+MJ050674	Hypecorinine; 8-Oxo 	C20H15NO7	381.084851	NA	MeJP	NA	NA
+C06628	4-Hydroxy-6-methylpretetramide	C20H15NO7	381.0849	NA	KEGG	NA	NA
+MJ050675	Plumbemycin A 	C12H20N3O9P	381.093715	NA	MeJP	NA	NA
+3352	Antihrombotic peptide	WGC	381.1	celiac toxic	Inhouse_peptide	NA	peptide
+CJneg0572	Hippuric acid [(2M-2H+Na)]- (13C)	C1713CH16N2NaO6	381.102325	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0572	Hippuric acid [(2M-2H+Na)]- (13C)	C1713CH16N2NaO6	381.102325	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000710	CEM 	C13H23N3O6S2	381.1028	NA	PeJP	NA	NA
+MJ050676	2-Hydroxy-2-phenylacetonitrile, O-(6-O-Malonyl-?-D-glucopyranoside) 	C17H19NO9	381.105981	NA	MeJP	NA	NA
+C07865	Rabeprazole sodium	C18H20N3O3S	381.1123	NA	KEGG	NA	NA
+MJ050677	13-Methoxyoxoberberine 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050678	8-Oxocorynoline; Natural-form 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050679	Adlumidiceine enol lactone 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050680	Arnottianamide 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050681	Isoarnottianamide 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050682	Lavendustin A 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050683	Oxopurpureine 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050684	Pictonamine 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050685	Pontevedrine 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050686	Puntarenine 	C21H19NO6	381.121237	NA	MeJP	NA	NA
+MJ050687	Coulteroberbinone 	C21H20NO6(+)	381.121237	NA	MeJP	NA	NA
+HMDB00768	N-Acetyl-9-O-lactoylneuraminic acid	C14H23NO11	381.127106	NA	HMDB2010	NA	NA
+HMDB00768	N-Acetyl-9-O-lactoylneuraminic acid	C14H23NO11	381.12711	http://www.hmdb.ca/metabolites/HMDB00768	HMDB	NA	NA
+HMDB00768	N-Acetyl-9-O-lactoylneuraminic acid	C14H23NO11	381.12711	HMDB00768	PFEM_hmdb_metabocards_official	NA	NA
+MJ050688	Pleconaril 	C18H18F3N3O3	381.130026	NA	MeJP	NA	NA
+MJ050689	Acutumine; 11-Deoxy 	C19H24ClNO5	381.1343	NA	MeJP	NA	NA
+MJ050690	Narcissidine; N-(Chloromethyl) 	C19H25ClNO5(+)	381.1343	NA	MeJP	NA	NA
+MJ050691	Karnamicin B3 	C17H23N3O5S	381.135841	NA	MeJP	NA	NA
+MJ050692	Karnamicin C2 	C17H23N3O5S	381.135841	NA	MeJP	NA	NA
+MJ050693	Karnamicin C3 	C17H23N3O5S	381.135841	NA	MeJP	NA	NA
+MJ050694	Karnamicin D3 	C17H23N3O5S	381.135841	NA	MeJP	NA	NA
+PJ000711	PCY 	C17H23N3O5S	381.1359	NA	PeJP	NA	NA
+MJ050695	Fendosal 	C25H19NO3	381.136493	NA	MeJP	NA	NA
+PJ000712	TMM 	C14H27N3O5S2	381.1392	NA	PeJP	NA	NA
+MJ050696	Antibiotic TAN 1254 	C14H19N7O6	381.139681	NA	MeJP	NA	NA
+MJ050697	Benzomalvin B; 19,20-Dihydro, atropisomer 	C24H19N3O2	381.147726	NA	MeJP	NA	NA
+MJ050698	Benzomalvin B; 19?,20-Dihydro 	C24H19N3O2	381.147726	NA	MeJP	NA	NA
+8024	synthetic peptide	PHE	381.152	antibacterial	Inhouse_peptide	NA	peptide
+PJ000713	AEY 	C17H23N3O7	381.1536	NA	PeJP	NA	NA
+MJ050699	6-[2-[[3-(2-Chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-3(2H)-pyridazinone hydrazone 	C17H24ClN5O3	381.156767	NA	MeJP	NA	NA
+MJ050700	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3,7-Dibenzoyl 	C22H23NO5	381.157622	NA	MeJP	NA	NA
+MJ050701	Isotylocrebrine, 14?-Hydroxy, 3,6-di-O-de-Me 	C22H23NO5	381.157622	NA	MeJP	NA	NA
+MJ050702	Yuanamide 	C22H23NO5	381.157622	NA	MeJP	NA	NA
+MJ050703	Anisocycline 	C22H24NO5(+)	381.157622	NA	MeJP	NA	NA
+MJ050704	N-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide 	C23H19N5O	381.15896	NA	MeJP	NA	NA
+MJ050705	Azelastine 	C22H24ClN3O	381.16079	NA	MeJP	NA	NA
+C07768	Azelastine	C22H24ClN3O	381.1608	NA	KEGG	NA	NA
+C07769	Transferred to D00659	C22H24ClN3O	381.1608	NA	KEGG	NA	NA
+MJ050706	Mefenidramium(1+); Methyl sulfate 	C19H27NO5S	381.160993	NA	MeJP	NA	NA
+MJ050707	Pantothenic acid, 4'-O-?-D-Glucopyranoside 	C15H27NO10	381.163496	NA	MeJP	NA	NA
+C03423	O-beta-D-Glucosylzeatin	C16H23N5O6	381.1648	NA	KEGG	NA	NA
+C15546	O-beta-D-Glucopyranosyl-cis-zeatin	C16H23N5O6	381.1648	NA	KEGG	NA	NA
+C16443	trans-Zeatin-7-beta-D-glucoside	C16H23N5O6	381.1648	NA	KEGG	NA	NA
+HMDB12201	Cis-zeatin-7-N-glucoside	C16H23N5O6	381.164825	NA	HMDB2010	NA	NA
+HMDB12202	Cis-zeatin-9-N-glucoside	C16H23N5O6	381.164825	NA	HMDB2010	NA	NA
+HMDB12203	Cis-zeatin-O-glucoside	C16H23N5O6	381.164825	NA	HMDB2010	NA	NA
+MJ050708	Zeatin, 7-?-D-Glucopyranosyl (7H-form) 	C16H23N5O6	381.164833	NA	MeJP	NA	NA
+MJ050709	Zeatin, 9-?-D-Glucopyranosyl 	C16H23N5O6	381.164833	NA	MeJP	NA	NA
+MJ050710	Zeatin, O-?-D-Glucopyranoside 	C16H23N5O6	381.164833	NA	MeJP	NA	NA
+MJ050711	Zeatin, 9-?-D-Glucopyranosyl 	C16H23N5O6	381.164833	NA	MeJP	NA	NA
+MetaCyc03279	O-&beta;-D-glucosyl-cis-zeatin []	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+MetaCyc03280	cis-zeatin-O-glucoside []	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+MetaCyc03281	cis-zeatin-9-N-glucoside []	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+MetaCyc03282	cis-zeatin-7-N-glucoside []	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+MetaCyc03283	trans-zeatin-O-glucoside [O-&beta;-D-Glucosylzeatin;]	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+MetaCyc03284	trans-zeatin-9-N-glucoside []	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+MetaCyc03285	trans-zeatin-7-N-glucoside []	C16H23N5O6	381.164833	NA	metacyc	NA	NA
+PJ000714	PEH 	C16H23N5O6	381.1649	NA	PeJP	NA	NA
+MJ050712	Austamide; 12,13-Dihydro, 12-Hydroxy 	C21H23N3O4	381.168856	NA	MeJP	NA	NA
+MJ050713	Cyclotryprostatin A; Demethoxy, 12-epimer 	C21H23N3O4	381.168856	NA	MeJP	NA	NA
+MJ050714	Mersingine A; 14,15-Dihydro, 15?-hydroxy 	C21H23N3O4	381.168856	NA	MeJP	NA	NA
+MJ050715	Scaevodimerine A; 1',2'-Didehydro 	C21H23N3O4	381.168856	NA	MeJP	NA	NA
+MJ050716	Xaliproden 	C24H22F3N	381.170434	NA	MeJP	NA	NA
+PJ000715	CLF 	C18H27N3O4S	381.1722	NA	PeJP	NA	NA
+MJ050717	Sinefungin 	C15H23N7O5	381.176066	NA	MeJP	NA	NA
+MetaCyc03286	sinefungin []	C15H23N7O5	381.176067	NA	metacyc	NA	NA
+7498	ACE inhibitor from as2-CN	TVY	381.178	antioxidative	Inhouse_peptide	NA	peptide
+MJ050718	Otosenine 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050719	Petasitenine 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050720	Senecioracenine 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050721	Senkirkine; 15E-Isomer, 18-hydroxy 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050722	Senkirkine; 15E-Isomer, 21-hydroxy 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050723	Senkirkine; 18-Hydroxy 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050724	Senkirkine; 19-Hydroxy 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+MJ050725	Tanakine; N-?-D-Glucopyranosyl 	C19H27NO7	381.178752	NA	MeJP	NA	NA
+C10359	Petasitenine	C19H27NO7	381.1788	NA	KEGG	NA	NA
+3269	NA	QVTSTEV	381.181	MH2+	Inhouse_peptide	NA	peptide
+MJ050726	Benperidol 	C22H24FN3O2	381.185255	NA	MeJP	NA	NA
+MJ050727	Declenperone 	C22H24FN3O2	381.185255	NA	MeJP	NA	NA
+MJ050728	Zolantidine 	C22H27N3OS	381.187483	NA	MeJP	NA	NA
+PJ000716	SLY 	C18H27N3O6	381.19	NA	PeJP	NA	NA
+MJ050729	Micinicate 	C23H27NO4	381.194008	NA	MeJP	NA	NA
+MJ050730	N-[[(2,7-Dimethyl-9H-fluoren-9-yl)methoxy]carbonyl]leucine 	C23H27NO4	381.194008	NA	MeJP	NA	NA
+MJ050731	Phyllostemine; Di-Me ether, N-oxide(?-) 	C23H27NO4	381.194008	NA	MeJP	NA	NA
+MJ050732	Polycanthidine 	C23H27NO4	381.194008	NA	MeJP	NA	NA
+MJ050733	Tyloindicine F 	C23H27NO4	381.194008	NA	MeJP	NA	NA
+MJ050734	C-Alkaloid Q 	C22H27N3O3	381.205241	NA	MeJP	NA	NA
+MJ050735	Ganstigmine 	C22H27N3O3	381.205241	NA	MeJP	NA	NA
+MJ050736	Tryprostatin A 	C22H27N3O3	381.205241	NA	MeJP	NA	NA
+C10408	Symlandine	C20H31NO6	381.2151	NA	KEGG	NA	NA
+C10409	Symphytine	C20H31NO6	381.2151	NA	KEGG	NA	NA
+MJ050737	Echiumine 	C20H31NO6	381.215137	NA	MeJP	NA	NA
+MJ050738	Echiupinine 	C20H31NO6	381.215137	NA	MeJP	NA	NA
+MJ050739	Scorpioidine 	C20H31NO6	381.215137	NA	MeJP	NA	NA
+MJ050740	Pyrvinium(1+) 	C26H28N3(+)	381.220497	NA	MeJP	NA	NA
+7479	ACE inhibitor	HLL	381.226	antioxidative	Inhouse_peptide	NA	peptide
+7993	synthetic peptide	LHI	381.226	inhibitor	Inhouse_peptide	NA	peptide
+7995	synthetic peptide	LHL	381.226	hypotensive	Inhouse_peptide	NA	peptide
+MJ050741	Brachyamide A 	C24H31NO3	381.230393	NA	MeJP	NA	NA
+MJ050742	Kayawongine 	C24H31NO3	381.230393	NA	MeJP	NA	NA
+MJ050743	Pipoxizine 	C24H31NO3	381.230393	NA	MeJP	NA	NA
+MJ050744	Terikalant 	C24H31NO3	381.230393	NA	MeJP	NA	NA
+PJ000717	LLH 	C18H31N5O4	381.2376	NA	PeJP	NA	NA
+MJ050745	Pitiamide A 	C22H36ClNO2	381.243457	NA	MeJP	NA	NA
+MJ050746	2-(Aminomethyl)-2-propenoic acid; N-(2-Acetoxy-2-tetradecenoyl), Me ester 	C21H35NO5	381.251523	NA	MeJP	NA	NA
+HMDB01383	Sphinganine 1-phosphate	C18H40NO5P	381.2644	http://www.hmdb.ca/metabolites/HMDB01383	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01383	Sphinganine 1-phosphate	C18H40NO5P	381.2644	http://www.hmdb.ca/metabolites/HMDB01383	HMDB	NA	NA
+C01120	Sphinganine 1-phosphate	C18H40NO5P	381.2644	NA	KEGG	NA	NA
+HMDB01383	Sphinganine 1-phosphate	C18H40NO5P	381.2644	http://www.hmdb.ca/metabolites/HMDB01383	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01383	Sphinganine 1-phosphate	C18H40NO5P	381.2644	HMDB01383	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01383	Sphinganine 1-phosphate	C18H40NO5P	381.264404	NA	HMDB2010	NA	NA
+MJ050747	Sphinganine 1-phosphate 	C18H40NO5P	381.264409	NA	MeJP	NA	NA
+MetaCyc03287	sphinganine 1-phosphate [Dihydrosphingosine 1-phosphate;Sphinganine 1-phosphate;DHS-1-P;]	C18H40N1O5P1	381.26441	NA	metacyc	NA	NA
+MJ050748	Cyclomicrobuxeine K; N-De-Me, N-formyl 	C25H35NO2	381.266779	NA	MeJP	NA	NA
+MJ050749	Polyavolinamide 	C25H35NO2	381.266779	NA	MeJP	NA	NA
+MJ050750	Conioidine A; 4'-Hydroxy 	C22H39NO4	381.287908	NA	MeJP	NA	NA
+C10576	Cannabisativine	C21H39N3O3	381.2991	NA	KEGG	NA	NA
+MJ050751	Cannabisativine 	C21H39N3O3	381.299142	NA	MeJP	NA	NA
+MJ050752	20-(2-Methyl-1-pyrrolin-5-yl)pregn-4-en-3-one 	C26H39NO	381.303164	NA	MeJP	NA	NA
+MJ050753	Buxotrienine 	C26H39NO	381.303164	NA	MeJP	NA	NA
+MJ050754	Buxpsiine K 	C26H39NO	381.303164	NA	MeJP	NA	NA
+MJ050755	Hyrcanine 	C26H39NO	381.303164	NA	MeJP	NA	NA
+MJ050756	Semperviraminone 	C26H39NO	381.303164	NA	MeJP	NA	NA
+MJ050757	2-(Aminomethyl)-2-propenoic acid; N-Octadecanoyl, Me ester 	C23H43NO3	381.324294	NA	MeJP	NA	NA
+MJ050758	N',N'',N''-Trimethyl-N-(3-methyl-2,4-dodecadienoyl)spermidine, 4',5'-Dihydro 	C23H47N3O	381.371913	NA	MeJP	NA	NA
+MJ050759	1,1,4,4-Tetrabromo-3-buten-2-one 	C4H2Br4O	381.683915	NA	MeJP	NA	NA
+MJ050760	1,3,4,4-Tetrabromo-3-buten-2-one 	C4H2Br4O	381.683915	NA	MeJP	NA	NA
+24	Hemoglobin	VVYPWT	381.6895	MH2+	Inhouse_peptide	NA	peptide
+MJ050761	Triiodide(1-) 	I3(-)	381.72123	NA	MeJP	NA	NA
+MJ050762	Psammopemmin A; 6-Bromo 	C12H9Br2N4O(+)	381.906486	NA	MeJP	NA	NA
+MJ050763	Psammopemmin A; 7-Bromo 	C12H9Br2N4O(+)	381.906486	NA	MeJP	NA	NA
+MJ050764	Pyrroxamycin 	C12H6Cl4N2O4	381.908167	NA	MeJP	NA	NA
+MJ050765	Ellagic acid; 2-O-Sulfate 	C14H6O11S	381.963081	NA	MeJP	NA	NA
+MJ050766	1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 5,7-Dichloro 	C16H8Cl2O7	381.964708	NA	MeJP	NA	NA
+MJ050767	Bismuth sodium tartrate 	C4H6BiNaO6	381.98659	NA	MeJP	NA	NA
+FL3FAGNSS001	Tricetin 3'-sulfate	C15H10O10S	381.99946	59176-59-9	knapsack	NA	NA
+FL3FECNSS001	6-Hydroxyluteolin 7-sulfate	C15H10O10S	381.99946	111509-45-6	knapsack	NA	NA
+FL3FECNSS002	6-Hydroxyluteolin 6-sulfate	C15H10O10S	381.99946	111509-44-5	knapsack	NA	NA
+FL3FFCNSS001	8-Hydroxyluteolin 7-sulfate	C15H10O10S	381.99946	56857-58-0	knapsack	NA	NA
+FL5FACNSS001	Quercetin 3-O-sulfate	C15H10O10S	381.99946	60889-05-6	knapsack	NA	NA
+FL5FACNSS002	Quercetin 7-O-sulfate	C15H10O10S	381.99946	-	knapsack	NA	NA
+FL5FACNSS003	Quercetin 3'-O-sulfate	C15H10O10S	381.99946	62369-28-2	knapsack	NA	NA
+MJ050768	3',4',5,5',7-Pentahydroxyflavone; 3'-O-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050769	3',4',5,6,7-Pentahydroxyflavone; 6-O-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050770	3',4',5,6,7-Pentahydroxyflavone; 7-O-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050771	3',4',5,7,8-Pentahydroxyflavone; 8-O-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050772	3,3',4',5,7-Pentahydroxyflavone; 3'-O-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050773	3,3',4',5,7-Pentahydroxyflavone; 3-O-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050774	3,4',5,6,7-Pentahydroxyflavone; 3-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MJ050775	3,4',5,6,7-Pentahydroxyflavone; 7-Sulfate 	C15H10O10S	381.999467	NA	MeJP	NA	NA
+MetaCyc03288	quercetin 3-sulfate []	C15H10O10S1	381.999467	NA	metacyc	NA	NA
+C00616	Quercetin 3-sulfate	C15H10O10S	381.9995	NA	KEGG	NA	NA
+MJ050776	Eriodermin 	C17H12Cl2O6	382.001093	NA	MeJP	NA	NA
+MJ050777	Pannarin; 7-Chloro, O-de-Me 	C17H12Cl2O6	382.001093	NA	MeJP	NA	NA
+MJ050778	Rogiolenyne B 	C15H21BrCl2O2	382.010197	NA	MeJP	NA	NA
+MJ050779	Rogioloxepane C 	C15H21BrCl2O2	382.010197	NA	MeJP	NA	NA
+MJ050780	Palmarumycin C7 	C20H11ClO6	382.024415	NA	MeJP	NA	NA
+MJ050781	Vicanicin 	C18H16Cl2O5	382.037479	NA	MeJP	NA	NA
+MJ050782	Mefruside 	C13H19ClN2O5S2	382.04239	NA	MeJP	NA	NA
+MJ050783	Osoic acid; 3'-Chloro, 3-Me ether, 1-Me ester 	C17H15ClO8	382.045545	NA	MeJP	NA	NA
+MJ050784	Osoic acid; 4-Chloro, 3-Me ether, 1-Me ester 	C17H15ClO8	382.045545	NA	MeJP	NA	NA
+MJ050785	Osoic acid; 4-Chloro, 5-Me ether, 1-Me ester 	C17H15ClO8	382.045545	NA	MeJP	NA	NA
+MJ050786	Osoic acid; 5'-Chloro, 3-Me ether, 1-Me ester 	C17H15ClO8	382.045545	NA	MeJP	NA	NA
+MJ050787	Glufosfamide 	C10H21Cl2N2O7P	382.046342	NA	MeJP	NA	NA
+MJ050788	2,3-Dihydroxybenzyl alcohol; O2-?-D-Glucopyranoside, O1'-sulfate 	C13H18O11S	382.056982	NA	MeJP	NA	NA
+MJ050789	Ritolukast 	C17H13F3N2O3S	382.059897	NA	MeJP	NA	NA
+FLIFHXNF0005	12a-Hydroxypachyrrhizone	C20H14O8	382.06886	28768-44-7	knapsack	NA	NA
+MJ050790	12a-Hydroxypachyrrhizone 	C20H14O8	382.068867	NA	MeJP	NA	NA
+MJ050791	Bikaverin 	C20H14O8	382.068867	NA	MeJP	NA	NA
+MJ050792	Ipomopsin 	C20H14O8	382.068867	NA	MeJP	NA	NA
+MJ050793	Preussomerin A; 3?,3'?-Dihydroxy, 2,3-deepoxy, 2',3'-dihydro, 1,1'-diketone 	C20H14O8	382.068867	NA	MeJP	NA	NA
+C10306	Bikaverin	C20H14O8	382.0689	NA	KEGG	NA	NA
+C12416	Nogalonic acid	C20H14O8	382.0689	NA	KEGG	NA	NA
+MJ050794	Bactobolin A 	C14H20Cl2N2O6	382.069841	NA	MeJP	NA	NA
+MJ050795	3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Alanine amide 	C19H14N2O7	382.0801	NA	MeJP	NA	NA
+MJ050796	5-[5-[2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy]pentyl]-3-methylisoxazole 	C18H20Cl2N2O3	382.085097	NA	MeJP	NA	NA
+C06493	WIN54954	C18H20Cl2N2O3	382.0851	NA	KEGG	NA	NA
+MJ050797	Glucose 3-nitropropanoates; 2,6-Bis-(3-nitropropanoyl)-?-D-glucopyranose 	C12H18N2O12	382.085974	NA	MeJP	NA	NA
+MJ050798	Glucose 3-nitropropanoates; Bis-O-(3-nitropropanoyl)-D-glucopyranose (3) 	C12H18N2O12	382.085974	NA	MeJP	NA	NA
+MJ050799	Glucose 3-nitropropanoates; Bis-O-(3-nitropropanoyl)-D-glucopyranose (4) 	C12H18N2O12	382.085974	NA	MeJP	NA	NA
+MJ050800	Glucose 3-nitropropanoates; Bis-O-(3-nitropropanoyl)-D-glucopyranose (5) 	C12H18N2O12	382.085974	NA	MeJP	NA	NA
+C08473	Cibarian	C12H18N2O12	382.086	NA	KEGG	NA	NA
+C08474	Coronarian	C12H18N2O12	382.086	NA	KEGG	NA	NA
+MJ050801	Borax 	B4H20Na2O17	382.08681	NA	MeJP	NA	NA
+MJ050802	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C17H18O10	382.089996	NA	MeJP	NA	NA
+MJ050803	7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid; 7-O-?-D-Glucopyranoside 	C17H18O10	382.089996	NA	MeJP	NA	NA
+PJ000718	GTCC 	C12H22N4O6S2	382.0981	NA	PeJP	NA	NA
+MJ050804	Deutziol; 7?-Chloro 	C15H23ClO9	382.10306	NA	MeJP	NA	NA
+MJ050805	Stegioside I 	C15H23ClO9	382.10306	NA	MeJP	NA	NA
+MJ050806	Ferrotrenine 	C12H26FeN2O8	382.103857	NA	MeJP	NA	NA
+FL3FRNNF0003	Artonin K;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one	C21H18O7	382.10525	148719-61-3	knapsack	NA	NA
+FL3FRNNR0002	Artoindonesianin T;5,6-Dihydro-1,4,8,10-tetrahydroxy-3-methoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one	C21H18O7	382.10525	502718-06-1	knapsack	NA	NA
+FL5FAENF0001	Velloquercetin 4'-methyl ether	C21H18O7	382.10525	139955-64-9	knapsack	NA	NA
+FL5FDCNF0001	Velloquercetin 3-methyl ether	C21H18O7	382.10525	148335-02-8	knapsack	NA	NA
+FL5FDCNP0001	Sarothranol;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C21H18O7	382.10525	149415-60-1	knapsack	NA	NA
+FL5FF9NI0002	8-Hydroxygalangin 3-methyl ether 8-angelate	C21H18O7	382.10525	128508-15-6	knapsack	NA	NA
+FL5FF9NI0003	3,5,7-Trihydroxy-8-methoxyflavone 3-angelate	C21H18O7	382.10525	122585-70-0	knapsack	NA	NA
+FL5FF9NI0006	5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylbut-2-enoate);(2E)-5,7-Dihydroxy-3-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid	C21H18O7	382.10525	221231-14-7	knapsack	NA	NA
+FLIDHXNF0007	Hildecarpidin	C21H18O7	382.10525	111010-27-6	knapsack	NA	NA
+FLIFHXNF0004	Neobanone;12a-Methoxyerosone	C21H18O7	382.10525	61419-05-4	knapsack	NA	NA
+FLIG1LNI0001	Lisetin	C21H18O7	382.10525	6502-79-0	knapsack	NA	NA
+MJ050807	1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1',3-Dibenzoyl 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050808	12a-Hydroxyerosone; Me ether 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050809	2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b':3,4-b']dipyran-4-one; 3-Me ether 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050810	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Ketone, 1',4-dibenzoyl 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050811	3,5,7,8-Tetrahydroxyflavone; 3-Me ether, 8-angeloyl 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050812	3,5,7,8-Tetrahydroxyflavone; 3-Me ether, 8-tigloyl 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050813	3-(2-Ethyl-2-butenyl)-9,10-dihydro-1,6,8-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050814	4,5,6-Trihydroxy-6-(hydroxymethyl)-2-cyclohexen-1-one, 1',4-Dibenzoyl 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050815	?-Isoderrubone; 3?-Hydroxy 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050816	Anisolactone; 2',3'-Epoxide 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050817	Artonin K 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050818	Auramycin A; Aglycone, 4-Deoxy 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050819	Austrobailignan 1 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050820	Daunomycin; Aglycone, 10-deoxy 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050821	Grandiflorone 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050822	Hildecarpidin 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050823	Lisetin 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050824	Mitorubrin 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050825	Mollicellin A 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050826	Mollicellin B 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050827	Piscidanone 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050828	Salothranol 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050829	Velloquercetin; 3-Me ether 	C21H18O7	382.105252	NA	MeJP	NA	NA
+MJ050830	Velloquercetin; 4'-Me ether 	C21H18O7	382.105252	NA	MeJP	NA	NA
+C10546	Austrobailignan 1	C21H18O7	382.1053	NA	KEGG	NA	NA
+C12420	12-Deoxyaklanonic acid	C21H18O7	382.1053	NA	KEGG	NA	NA
+PJ000719	SSSC 	C12H22N4O8S	382.1158	NA	PeJP	NA	NA
+MJ050831	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Methylpropenoyl) 	C19H23ClO6	382.118316	NA	MeJP	NA	NA
+MJ050832	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl) 	C19H23ClO6	382.118316	NA	MeJP	NA	NA
+MJ050833	Securamine C; Debromo 	C20H19ClN4O2	382.119653	NA	MeJP	NA	NA
+MJ050834	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Formyl, 8-Ac 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050835	3-O-Caffeoylquinic acid, 3'-Me ether, Me ester 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050836	5,7-Dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 7-O-(4-Methyl-?-D-glucopyranoside) 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050837	5-O-Caffeoylquinic acid, 3'-Me ether, Me ester 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050838	6-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050839	8-?-D-Glucopyranosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050840	8-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050841	Olguine 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050842	Rhamnose; ?-L-Pyranose-form, 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 3-Ac 	C18H22O9	382.126382	NA	MeJP	NA	NA
+MJ050843	Rhamnose; ?-L-Pyranose-form, 2-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 4-Ac 	C18H22O9	382.126382	NA	MeJP	NA	NA
+C00448	trans,trans-Farnesyl diphosphate	C15H28O7P2	382.131	NA	KEGG	NA	NA
+C06111	Nerolidyl diphosphate	C15H28O7P2	382.131	NA	KEGG	NA	NA
+C06112	L-Glutamyl-tRNA(Gln)	C20H28N6O13PR	382.131	NA	KEGG	NA	NA
+C06113	L-Aspartyl-tRNA(Asn)	C14H22NO13PR2	382.131	NA	KEGG	NA	NA
+C16826	2-cis,6-trans-Farnesyl diphosphate	C15H28O7P2	382.131	NA	KEGG	NA	NA
+HMDB00961	Farnesyl pyrophosphate	C15H28O7P2	382.131012	NA	HMDB2010	NA	NA
+MJ050844	trans,trans-Farnesyl diphosphate 	C15H28O7P2	382.131026	NA	MeJP	NA	NA
+MetaCyc03289	trans, trans-farnesyl diphosphate [FPP;farnesyl pyrophosphate;farnesyl-PP;farnesyl diphosphate;2-trans,6-trans-farnesyl diphosphate;]	C15H28O7P2	382.131026	13058-04-3	metacyc	NA	NA
+HMDB00961	Farnesyl pyrophosphate	C15H28O7P2	382.13104	http://www.hmdb.ca/metabolites/HMDB00961	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00961	Farnesyl pyrophosphate	C15H28O7P2	382.13104	http://www.hmdb.ca/metabolites/HMDB00961	HMDB	NA	NA
+HMDB00961	Farnesyl pyrophosphate	C15H28O7P2	382.13104	http://www.hmdb.ca/metabolites/HMDB00961	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00961	Farnesyl pyrophosphate	C15H28O7P2	382.13104	HMDB00961	PFEM_hmdb_metabocards_official	NA	NA
+PJ000720	CNF 	C16H22N4O5S	382.1311	NA	PeJP	NA	NA
+MJ050845	16-Iodohexadecanoic acid 	C16H31IO2	382.136873	NA	MeJP	NA	NA
+C17765	Licoricone	C22H22O6	382.1416	NA	KEGG	NA	NA
+FL2F2CNI0001	Ponganone V;7-Methoxy-6-O-prenyl-3',4'-methylenedioxyflavanone	C22H22O6	382.14163	142608-91-1	knapsack	NA	NA
+FL2FACNF0002	Abyssinoflavanone IV;5,7,3'-Trihydroxy-2'-prenyl-[2'',3'':4',5']furanoflavanone	C22H22O6	382.14163	201535-05-9	knapsack	NA	NA
+FL3FALNI0019	Artocarpetin B;5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C22H22O6	382.14163	170894-22-1	knapsack	NA	NA
+FL4DA9NI0005	3,5,7-Trihydroxy-6-prenylflavanone 3-acetate	C22H22O6	382.14163	89648-70-4	knapsack	NA	NA
+FLIA1LNI0002	Licoricone	C22H22O6	382.14163	51847-92-8	knapsack	NA	NA
+FLIAAFNI0001	Piscerythrinetin;5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylisoflavone	C22H22O6	382.14163	126484-16-0	knapsack	NA	NA
+FLIABENI0001	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone	C22H22O6	382.14163	132587-59-8	knapsack	NA	NA
+FLID3CNI0001	Neoraucarpanol;3-Hydroxy-4-methoxy-8,9-methylenedioxy-2-prenylpterocarpan	C22H22O6	382.14163	63343-95-3	knapsack	NA	NA
+FLIDBCNP0001	Neorautanin	C22H22O6	382.14163	63343-93-1	knapsack	NA	NA
+FLIDBDNP0001	Desmodin	C22H22O6	382.14163	56257-27-3	knapsack	NA	NA
+FLIHALNI0001	Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin	C22H22O6	382.14163	66056-18-6	knapsack	NA	NA
+MJ050846	2',4',5,7-Tetrahydroxy-8-prenylflavone; 2',7-Di-Me ether 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050847	2',4',6',7-Tetrahydroxy-3'-prenylisoflavone; 2',4'-Di-Me ether 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050848	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 3',4'-Di-Me ether 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050849	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; 4',5-Di-Me ether 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050850	3',4',6,7-Tetrahydroxyflavanone, 7-Me ether, 6-O-(3-methyl-2-butenyl), 3',4'-methylene ether 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050851	3,5,7-Trihydroxy-6-prenylflavanone, 3-Ac 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050852	Glycyrin 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050853	Kanzonol O 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050854	Languiduline 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050855	Neoraucarpanol 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050856	Neorautane; 14-Methoxy 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050857	Neorautenol; 9,13-Dimethoxy 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050858	Tepurindiol 	C22H22O6	382.141638	NA	MeJP	NA	NA
+MJ050859	Loratadine 	C22H23ClN2O2	382.144805	NA	MeJP	NA	NA
+HMDB05000	Loratadine	C22H23ClN2O2	382.144806	NA	HMDB2010	NA	NA
+HMDB05000	Loratadine	C22H23ClN2O2	382.14481	http://www.hmdb.ca/metabolites/HMDB05000	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05000	Loratadine	C22H23ClN2O2	382.14481	http://www.hmdb.ca/metabolites/HMDB05000	HMDB	NA	NA
+HMDB05000	Loratadine	C22H23ClN2O2	382.14481	http://www.hmdb.ca/metabolites/HMDB05000	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05000	Loratadine	C22H23ClN2O2	382.14481	HMDB05000	PFEM_hmdb_metabocards_official	NA	NA
+C08359	2-Methoxyestradiol-17beta 3-sulfate	C19H26O6S	382.145	NA	KEGG	NA	NA
+MJ050860	Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl) 	C19H26O6S	382.145009	NA	MeJP	NA	NA
+MJ050861	Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl) 	C19H26O6S	382.145009	NA	MeJP	NA	NA
+PJ000721	SNY 	C16H22N4O7	382.1489	NA	PeJP	NA	NA
+MJ050862	15-Bromo-9(11)-parguerene-7,16-diol 	C20H31BrO2	382.150742	NA	MeJP	NA	NA
+MJ050863	2-Bromo-7,11(18),13-obtusatriene-3,9-diol 	C20H31BrO2	382.150742	NA	MeJP	NA	NA
+MJ050864	Aplysiadiol 	C20H31BrO2	382.150742	NA	MeJP	NA	NA
+MJ050865	Kahukuene A 	C20H31BrO2	382.150742	NA	MeJP	NA	NA
+MJ050866	Alkaloid Us 7 	C21H22N2O5	382.152871	NA	MeJP	NA	NA
+MJ050867	Bulbocapnine, Me ether, N-de-Me, N-(N-methylcarbamoyl) 	C21H22N2O5	382.152871	NA	MeJP	NA	NA
+MJ050868	Kopsinitarine A; Decarbomethoxy, 14,15-dihydro, 15?-hydroxy 	C21H22N2O5	382.152871	NA	MeJP	NA	NA
+MJ050869	Methyl 1,2-didehydro-6,7-epoxy-3-hydroxy-8-oxoaspidospermidine-3-carboxylate 	C21H22N2O5	382.152871	NA	MeJP	NA	NA
+MetaCyc03290	partly acetylated chitosan []	C14H26N2O10	382.158745	NA	metacyc	NA	NA
+MJ050870	1,3,4,13-Tetrahydroxy-7(11)-eudesmen-12,6-olide, 3,13-Di-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050871	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,13-Di-Me ether, 10-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050872	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,13-Di-Me ether, 8-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050873	1,6,8-Trihydroxy-15-nor-4-oxo-11(13)-eudesmen-12-oic acid, 8-(3-Hydroxy-2-methylenepropanoyl), Me ester 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050874	10-Hydroperoxy-2,5-dihydroxy-3,11(13)-germacradien-12,8-olide, Di-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050875	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 6,9-Di-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050876	3,4,8,15-Scirpenetetrol, 4,8-Di-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050877	3,7,8,15-Scirpenetetrol; 3,15-Di-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050878	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropanoyl) 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050879	6,10-Epoxy-4,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 13-Et ether, 8-Ac 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050880	Eurylactone A 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050881	Neosolaniol 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050882	Picrodendrin K 	C19H26O8	382.162767	NA	MeJP	NA	NA
+MJ050883	Pterosin T; 14-Deoxy, 5?-hydroxy, 10-O-?-L-arabinopyranoside 	C19H26O8	382.162767	NA	MeJP	NA	NA
+HMDB10343	1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid	C19H26O8	382.162781	NA	HMDB2010	NA	NA
+MJ050884	1,3-Dipropyl-8-(4-acrylate)phenylxanthine 	C20H22N4O4	382.164105	NA	MeJP	NA	NA
+MJ050885	(1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate 	C19H27ClN2O4	382.165935	NA	MeJP	NA	NA
+MJ050886	Alpiropride 	C17H26N4O4S	382.167476	NA	MeJP	NA	NA
+MJ050887	Talnetant 	C25H22N2O2	382.168127	NA	MeJP	NA	NA
+MJ050888	Aprophit 	C22H26N2O2S	382.171498	NA	MeJP	NA	NA
+MJ050889	Eletriptan 	C22H26N2O2S	382.171498	NA	MeJP	NA	NA
+MJ050890	1,8-Dihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-(Phenylacetyl) 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050891	1,8-Dihydroxy-4,11(13)-eudesmadien-12,6-olide, 8-(Phenylacetyl) 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050892	2,3',4,6-Tetrahydroxy-2',3-diprenylbenzophenone 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050893	5-Methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050894	Antibiotic FD 549 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050895	Bergamottin; 5'-Ethoxy 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050896	Garuganin VI 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050897	Isovismiaphenone B; 3,4-Dihydro, 3-hydroxy 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050898	Monascorubrin 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050899	Ochrephilone 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050900	Rotenonic acid 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050901	Tomentonone 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050902	Vismiaguianone B 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050903	Vismiaguianone C 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050904	Xuulanin; 3?-Methoxy 	C23H26O5	382.178023	NA	MeJP	NA	NA
+MJ050905	Umbraculumin C 	C20H30O5S	382.181394	NA	MeJP	NA	NA
+MJ050906	10-Hydroxylinalyl oxide, 1,2-Dihydro, 1,2-dihydroxy, 7-O-?-D-glucopyranoside 	C16H30O10	382.183897	NA	MeJP	NA	NA
+7997	synthetic peptide	LHN	382.1849	anticancer	Inhouse_peptide	NA	peptide
+MJ050907	17-Oxolupanine; 13-Benzoyloxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050908	Adirubine; 17-Deoxy, 16,17-didehydro 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050909	Ajmalicine, 10-Methoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050910	Akuammiline; 10-Methoxy, O-de-Ac 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050911	Akuammine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050912	Aricine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050913	Chairamidine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050914	Chairamine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050915	Chanofruticosine methyl ester; 12-Methoxy, N1-de(methoxycarbonyl) 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050916	Cimicidine; 16-Demethoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050917	Conchairamidine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050918	Conchairamine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050919	Correantine A 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050920	Corymine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050921	Corynoxeine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050922	Dippinine C 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050923	Ervatamine; 19,20-Didehydro, N1-methoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050924	Gardneramine; 18-Demethoxy, (19E)-isomer 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050925	Henningsoline; 12-Deoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050926	Herbamine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050927	Heyneatine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050928	Holstiine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050929	Isocorymine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050930	Isovoacangine; 3-Oxo 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050931	Kopsinone; 10-Methoxy, 14,15-dihydro 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050932	Lanceomigine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050933	Lochnerinine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050934	Melinonine L 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050935	Methyl 16,17-didehydromethoxy-19-methyloxayohimban-16-carboxylate 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050936	Mitrajavine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050937	Obovamine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050938	Paynantheine; O9-De-Me 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050939	Picraline; O-De-Ac, Na-Me 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050940	Picraphylline 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050941	Picrinine; ar-Methoxy, Na-Me 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050942	Polyneuridine; 3-Hydroxy, N1-Me 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050943	Reserpinine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050944	Strictamine; 5?,10-Dimethoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050945	Strychnobrasiline; 14?-Hydroxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050946	Tabersonine, 10-Hydroxy, 11-methoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050947	Tabersonine, 19-Hydroxy, 11-methoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050948	Tofisoline 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050949	Tofisopam 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050950	Tsilanine; O-De-Me, 10-methoxy 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050951	Vallesamine, O-Ac 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050952	Vandrikine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050953	Vincadiffine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050954	Vincamine, 11-Methoxy, 14,15-didehydro 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050955	Vincamine, 12-Methoxy, 14,15-didehydro 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050956	Vincamine, 16-Epimer, 11-methoxy, 14,15-didehydro 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050957	Vincoline; 19-Epimer, Me ether 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050958	Vincoline; Me ether 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050959	Vincorine; N-De-Me, N-formyl 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050960	Voacafrine 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050961	Voacangine; 19-Oxo 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050962	Voacangine; 3,6-Epoxide 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050963	Voacangine; 3-Oxo 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050964	Voachalotine oxindole 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+MJ050965	Voacoline 	C22H26N2O4	382.189257	NA	MeJP	NA	NA
+C09027	Akuammine	C22H26N2O4	382.1893	NA	KEGG	NA	NA
+C09037	Aricine	C22H26N2O4	382.1893	NA	KEGG	NA	NA
+C10904	Cabucine	C22H26N2O4	382.1893	NA	KEGG	NA	NA
+C10905	Activated methyl group	C22H26N2O4	382.1893	NA	KEGG	NA	NA
+C11812	Lochnerinine	C22H26N2O4	382.1893	NA	KEGG	NA	NA
+8054	synthetic peptide	RHA	382.196	antioxidative	Inhouse_peptide	NA	peptide
+PJ000722	VQH 	C16H26N6O5	382.1965	NA	PeJP	NA	NA
+MJ050966	Sumarotene 	C24H30O2S	382.19665	NA	MeJP	NA	NA
+MJ050967	2,11,13-Trihydroxy-4-oxo-12,8-pseudoguaianolide, 2-(2R-Methylbutanoyl) 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050968	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(2-Methylbutanoyl) 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050969	3,10-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylbutanoyl) 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050970	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(2,3-epoxy-2-methylbutanoyl) 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050971	3,4,8,15-Scirpenetetrol, 8-(3-Methylbutanoyl) 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050972	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(3-Hydroxy-2R-methylpropanoyl), Me ester 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050973	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(3-Hydroxy-2S-methylpropanoyl), Me ester 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050974	7,20-Epoxy-1,6,7,11,16-pentahydroxy-15-kauranone 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050975	9,11,16,17-Tetrahydroxy-15-oxo-19-kauranoic acid 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050976	9,13-Epidioxy-2,6,19-trihydroxy-8(17)-labden-15,16-olide 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050977	Antibiotic A 26771B 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050978	Chaparrin; 3,4?-Dihydro 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050979	Cinncassiol A 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050980	Cinncassiol C3 	C20H30O7	382.199153	NA	MeJP	NA	NA
+MJ050981	Javanicin V; 14-Hydroxy 	C20H30O7	382.199153	NA	MeJP	NA	NA
+C17641	Cinncassiol C3	C20H30O7	382.1992	NA	KEGG	NA	NA
+C17645	Cinncassiol A	C20H30O7	382.1992	NA	KEGG	NA	NA
+MJ050982	[1-[[2-(Benzoylamino)-1-oxo-3-phenylpropyl]amino]-3-methylbutyl]boronic acid 	C21H27BN2O4	382.206387	NA	MeJP	NA	NA
+PJ000723	AHR 	C15H26N8O4	382.2077	NA	PeJP	NA	NA
+MJ050983	Zoamides; !Zoamide A 	C20H26N6O2	382.211724	NA	MeJP	NA	NA
+C09056	Ammoresinol	C24H30O4	382.2144	NA	KEGG	NA	NA
+MJ050984	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(2-Furoyl) 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050985	3(15),6-Caryophylladiene-5,9-diol, 9-Benzoyl, 5-Ac 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050986	3,4-Bis(4-hydroxyphenyl)hexane, Dipropanoyl 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050987	3,8-Dihydro-6,6';7,3'a-diligustilide 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050988	3-(4,8-Dimethyl-3,7-nonadienyl)-2,3-dihydro-7-hydroxy-2,3-dimethyl-4H-furo[3,2-c]benzopyran-4-one 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050989	3-Hydroperoxy-4-eudesmene-1,6-diol, 3-Ketone, 6-cinnamoyl 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050990	4,6-Dihydroxy-7-daucen-9-one, 6-Cinnamoyl (E-) 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050991	7-Hydroxy-2H-1-benzopyran-2-one; Glycoside 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050992	Ammoresinol 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050993	Cyclomyltaylan-3-ol; 3,4-Dihydroxycinnamoyl 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050994	Farnesiferol B 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050995	Farnesiferol C 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050996	Ferchromone 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050997	Ferulenol; 12'-Hydroxy 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050998	Ferulenol; 15'-Hydroxy 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ050999	Ferulenol; 5'-Hydroxy 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051000	Foetidin 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051001	Gancaonin R 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051002	Gancaonin S 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051003	Kamolol; 3'-Ketone 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051004	Kopetdaghin 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051005	Microlobidene 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051006	O-(3-Hydroxy-7-drimen-11-yl)umbelliferone 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051007	O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone 	C24H30O4	382.214409	NA	MeJP	NA	NA
+MJ051008	Senkyunolide P 	C24H30O4	382.214409	NA	MeJP	NA	NA
+PJ000724	GPPL 	C18H30N4O5	382.2216	NA	PeJP	NA	NA
+MJ051009	13-Hydroxylupanine; O-Phenylacetyl 	C23H30N2O3	382.225642	NA	MeJP	NA	NA
+MJ051010	Coronaridine, 3-(2-Hydroxyethyl) 	C23H30N2O3	382.225642	NA	MeJP	NA	NA
+MJ051011	Eglandine; Et ether 	C23H30N2O3	382.225642	NA	MeJP	NA	NA
+MJ051012	Vinpoline 	C23H30N2O3	382.225642	NA	MeJP	NA	NA
+C07412	Pyrvinium	C26H28N3	382.2283	NA	KEGG	NA	NA
+PJ000725	VKH 	C17H30N6O4	382.2329	NA	PeJP	NA	NA
+C17770	Sarcostin	C21H34O6	382.2355	NA	KEGG	NA	NA
+MJ051013	11-Dehydro-thromboxane B2 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051014	11,15,19-Trihydroxy-9-oxoprosta-5,13-dienoic acid, Me ester 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051015	3,11,17,20-Tetrahydroxypregnan-21-oic acid 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051016	3,15-Dihydroxy-4,6,8,14-tetramethyl-5,9-dioxo-10,12-heptadecadienoic acid 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051017	3,6,11,17,21-Pentahydroxypregnan-20-one 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051018	3,8,12,14,17-Pentahydroxypregnan-20-one 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051019	3,8,14,15,16-Pentahydroxypregnan-20-one 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051020	Dimoxaprost 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051021	Lichesteric acid, 13'-Acetoxy 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051022	Pregn-5-ene-3,8,11,12,14,20-hexol 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051023	Pregn-5-ene-3,8,12,14,17,20-hexol 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051024	Proalternaric acid I 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051025	Protopraesorediosic acid 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051026	Stemphyloxin I 	C21H34O6	382.235538	NA	MeJP	NA	NA
+MJ051027	Tetrofosmin 	C18H40O4P2	382.240182	NA	MeJP	NA	NA
+MJ051028	12'-Apo-?-carotene-3,12'-diol; 12'-Aldehyde, 5?,6?-epoxide 	C25H34O3	382.250794	NA	MeJP	NA	NA
+MJ051029	2-Hydroxy-6-(12-phenyldodecyl)benzoic acid 	C25H34O3	382.250794	NA	MeJP	NA	NA
+MJ051030	Artemisia Adduct I 	C25H34O3	382.250794	NA	MeJP	NA	NA
+MJ051031	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Cyclohexanecarboxylate 	C25H34O3	382.250794	NA	MeJP	NA	NA
+MJ051032	Ophiobolin A; 3-Deoxy, 3,4-didehydro 	C25H34O3	382.250794	NA	MeJP	NA	NA
+MJ051033	Ophiobolin A; 6-Epimer, 3-deoxy, 3,4-didehydro 	C25H34O3	382.250794	NA	MeJP	NA	NA
+MJ051034	Variabilin, 18-Deoxy 	C25H34O3	382.250794	NA	MeJP	NA	NA
+C14044	C25-Allenic-apo-aldehyde	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14045	C25-Epoxy-apo-aldehyde	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14046	Transferred to D02261	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14047	Transferred to D02262	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14048	Transferred to D02263	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14049	Transferred to D02264	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14050	Transferred to D02265	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14051	Transferred to D02266	C25H34O3	382.2508	NA	KEGG	NA	NA
+C14052	Transferred to D02267	C25H34O3	382.2508	NA	KEGG	NA	NA
+MJ051035	Sinostemonine 	C21H36NO5	382.259348	NA	MeJP	NA	NA
+MJ051036	Euprocin 	C24H34N2O2	382.262028	NA	MeJP	NA	NA
+MJ051037	1,6,10-Phytatriene-3,14,15-triol, 9-Acetoxy 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051038	11,16-Dihydroxy-16-methyl-9-oxo-13-prostenoic acid, Me ester 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051039	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 4-Hydroxy-5-(hydroxymethyl)-3-(14-methylhexadecanoyl)-2(5H)-furanone 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051040	3-Clerodene-6,15,17,18-tetrol, 17-Ac 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051041	5-Labdene-15,16,18,19-tetrol, 15-Ac 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051042	6,13-Epoxy-4,8,12-eunicellanetriol; 4-Ac 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051043	6,8-Dihydroxy-15-labdanoic acid, Ac 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051044	8,15,18-Labdanetriol, 18-Carboxylic acid, 15-Ac 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051045	Attenol A 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051046	Attenol B 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051047	Misoprostol 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051048	Unoprostone 	C22H38O5	382.271924	NA	MeJP	NA	NA
+MJ051049	Glutamine, N2-(9Z-Hexadecenoyl) 	C21H38N2O4	382.283157	NA	MeJP	NA	NA
+MJ051050	1-(3-Hydroxyphenyl)-14-phenyl-2-tetradecanol 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051051	12-Hydroxy-26,27-dinorergosta-1,4,22-trien-3-one 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051052	2-Polyprenyl-1,4-benzenediol; 2-Tetraprenyl-1,4-benzenediol 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051053	Cacospongin B 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051054	Jaspaquinol 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051055	Pentaran 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051056	Quingestrone 	C26H38O2	382.28718	NA	MeJP	NA	NA
+MJ051057	Bunamidine 	C25H38N2O	382.298413	NA	MeJP	NA	NA
+MJ051058	1,2-Dihydroxy-5-heneicosen-4-one, 1-Ac 	C23H42O4	382.308309	NA	MeJP	NA	NA
+MJ051059	2,6,10-Trimethyltridecanedioic acid; 1-(6-Heptenyl) ester 	C23H42O4	382.308309	NA	MeJP	NA	NA
+MJ051060	4-Acetoxy-3-hexadecyldihydro-5-methyl-2(3H)-furanone 	C23H42O4	382.308309	NA	MeJP	NA	NA
+MJ051061	Amphiasterin B2 	C23H42O4	382.308309	NA	MeJP	NA	NA
+HMDB11544	MG(0:0/20:2(11Z,14Z)/0:0)	C23H42O4	382.308319	NA	HMDB2010	NA	NA
+HMDB11574	MG(20:2(11Z,14Z)/0:0/0:0)	C23H42O4	382.308319	NA	HMDB2010	NA	NA
+MJ051062	Cholest-5-en-23-yn-3-ol 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051063	Cholesta-4,22-dien-3-one 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051064	Cholesta-4,6-dien-3-one 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051065	Cholesta-5,20,24-trien-3-ol 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051066	Cholesta-5,7,22-trien-3-ol 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051067	Cholesta-5,7,24-trien-3-ol 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051068	Cholesta-5,7,9(11)-trien-3-ol 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051069	Papakusterol 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051070	Phycomysterol B 	C27H42O	382.323565	NA	MeJP	NA	NA
+MJ051071	7-Dehydrodesmosterol 	C27H42O	382.323566	NA	MeJP	NA	NA
+MetaCyc03291	vitamin D3 [cholecalciferol;]	C27H42O1	382.323566	67-97-0	metacyc	NA	NA
+MetaCyc03292	5&alpha;-cholesta-8,24-dien-3-one []	C27H42O1	382.323566	NA	metacyc	NA	NA
+HMDB01093	5a-Cholesta-8,24-dien-3-one	C27H42O	382.323578	NA	HMDB2010	NA	NA
+HMDB02394	Cholesta-4,6-dien-3-one	C27H42O	382.323578	NA	HMDB2010	NA	NA
+HMDB03896	7-Dehydrodesmosterol	C27H42O	382.323578	NA	HMDB2010	NA	NA
+HMDB01093	5a-Cholesta-8,24-dien-3-one	C27H42O	382.32358	http://www.hmdb.ca/metabolites/HMDB01093	HMDB	NA	NA
+HMDB02394	Cholesta-4,6-dien-3-one	C27H42O	382.32358	http://www.hmdb.ca/metabolites/HMDB02394	HMDB	NA	NA
+HMDB03896	7-Dehydrodesmosterol	C27H42O	382.32358	http://www.hmdb.ca/metabolites/HMDB03896	HMDB	NA	NA
+HMDB01093	5a-Cholesta-8,24-dien-3-one	C27H42O	382.32358	HMDB01093	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02394	Cholesta-4,6-dien-3-one	C27H42O	382.32358	HMDB02394	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03896	7-Dehydrodesmosterol	C27H42O	382.32358	HMDB03896	PFEM_hmdb_metabocards_official	NA	NA
+C05107	7-Dehydrodesmosterol	C27H42O	382.3236	NA	KEGG	NA	NA
+C15357	Cholesta-3,5-dien-7-one	C27H42O	382.3236	NA	KEGG	NA	NA
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR401	25-hydroxy vitamin D F1	NA	382.326275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ051072	Buxitrienine C; Deoxy, N20-de-Me 	C26H42N2	382.334799	NA	MeJP	NA	NA
+MJ051073	19-Methyl-18-heneicosene-1,16-diol; 1-Ac 	C24H46O3	382.344695	NA	MeJP	NA	NA
+MJ051074	2-Hydroxy-15-tetracosenoic acid 	C24H46O3	382.344695	NA	MeJP	NA	NA
+MJ051075	7-Hydroxy-8,20-dimethyl-9-docosenoic acid 	C24H46O3	382.344695	NA	MeJP	NA	NA
+C10611	Pithecolobine	C22H46N4O	382.3672	NA	KEGG	NA	NA
+HMDB02361	Pentacosanoic acid	C25H50O2	382.38107	http://www.hmdb.ca/metabolites/HMDB02361	HMDB	NA	NA
+HMDB02361	Pentacosanoic acid	C25H50O2	382.38107	HMDB02361	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02361	Pentacosanoic acid	C25H50O2	382.381073	NA	HMDB2010	NA	NA
+MJ051076	2,6,10,14,18-Pentamethyl-15-eicosene-2,13-diol 	C25H50O2	382.38108	NA	MeJP	NA	NA
+MJ051077	4,6-Pentacosanedione; 4-Alcohol 	C25H50O2	382.38108	NA	MeJP	NA	NA
+MJ051078	4,6-Pentacosanedione; 6-Alcohol 	C25H50O2	382.38108	NA	MeJP	NA	NA
+MJ051079	6,8-Pentacosanedione; 6-Alcohol 	C25H50O2	382.38108	NA	MeJP	NA	NA
+MJ051080	Hexadecanoic acid; Nonyl ester 	C25H50O2	382.38108	NA	MeJP	NA	NA
+MJ051081	Pentacosanoic acid 	C25H50O2	382.38108	NA	MeJP	NA	NA
+MJ051082	1-Hexacosanol 	C26H54O	382.417466	NA	MeJP	NA	NA
+MJ051083	1-Methoxy-2,12-dimethyltricosane 	C26H54O	382.417466	NA	MeJP	NA	NA
+MJ051084	1-Methoxy-2,14-dimethyltricosane 	C26H54O	382.417466	NA	MeJP	NA	NA
+MJ051085	1-Methoxy-2,20-dimethyltricosane 	C26H54O	382.417466	NA	MeJP	NA	NA
+MJ051086	1-Methoxy-22-methyltetracosane 	C26H54O	382.417466	NA	MeJP	NA	NA
+MJ051087	5-Methyl-5-pentacosanol 	C26H54O	382.417466	NA	MeJP	NA	NA
+C08381	Hexacosan-1-ol	C26H54O	382.4175	NA	KEGG	NA	NA
+3634	NA	YPFGFH~	382.673	MH2+	Inhouse_peptide	NA	peptide
+7747	ACE inhibitor from Alaska Pollack frame protein	FGASTRGA	382.682	MH2+	Inhouse_peptide	NA	peptide
+MJ051088	Altizide 	C11H14ClN3O4S3	382.983495	NA	MeJP	NA	NA
+MJ051089	Dichloro[1,1'-(dimethylsilylene)bis(methanamine)-N,N']platinum 	C4H14Cl2N2PtSi	382.995104	NA	MeJP	NA	NA
+MJ051090	Pluracidomycin B 	C11H13NO10S2	382.998087	NA	MeJP	NA	NA
+C11493	Carfentrazone	C13H10Cl2F3N3O3	383.0051	NA	KEGG	NA	NA
+MJ051091	Ecothiopate(1+); Iodide 	C9H23INO3PS	383.018094	NA	MeJP	NA	NA
+MJ051092	Discorhabdin C; Monodebromo 	C18H14BrN3O2	383.026939	NA	MeJP	NA	NA
+MJ051093	Discorhabdin G 	C18H14BrN3O2	383.026939	NA	MeJP	NA	NA
+MJ051094	Eudistomin C; Debromo, 9-bromo, 1-N-Me 	C15H18BrN3O2S	383.03031	NA	MeJP	NA	NA
+C06890	Ceftizoxime	C13H13N5O5S2	383.0358	NA	KEGG	NA	NA
+MJ051095	Ceftizoxime 	C13H13N5O5S2	383.035809	NA	MeJP	NA	NA
+C14864	S-(2-Chloroacetyl)glutathione	C12H18ClN3O7S	383.0554	NA	KEGG	NA	NA
+C14865	2-(S-Glutathionyl)acetyl chloride	C12H18ClN3O7S	383.0554	NA	KEGG	NA	NA
+MJ051096	Protetrone 	C19H13NO8	383.064116	NA	MeJP	NA	NA
+C07760	Brinzolamide	C12H21N3O5S3	383.0643	NA	KEGG	NA	NA
+MJ051097	Brinzolamide 	C12H21N3O5S3	383.064332	NA	MeJP	NA	NA
+MJ051098	7-Chloro-2,3-dihydro-2-(4-methoxy-2-methylphenyl)pyridazino[4,5-b]quinoline-1,4,10(5H)-trione 	C19H14ClN3O4	383.067283	NA	MeJP	NA	NA
+MJ051099	Felodipine 	C18H19Cl2NO4	383.069113	NA	MeJP	NA	NA
+C11806	Pantoprazole	C16H15F2N3O4S	383.0751	NA	KEGG	NA	NA
+HMDB05017	Pantoprazole	C16H15F2N3O4S	383.07513	http://www.hmdb.ca/metabolites/HMDB05017	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05017	Pantoprazole	C16H15F2N3O4S	383.07513	http://www.hmdb.ca/metabolites/HMDB05017	HMDB	NA	NA
+HMDB05017	Pantoprazole	C16H15F2N3O4S	383.07513	http://www.hmdb.ca/metabolites/HMDB05017	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05017	Pantoprazole	C16H15F2N3O4S	383.07513	HMDB05017	PFEM_hmdb_metabocards_official	NA	NA
+MJ051100	Pantoprazole 	C16H15F2N3O4S	383.075133	NA	MeJP	NA	NA
+HMDB05017	Pantoprazole	C16H15F2N3O4S	383.075134	NA	HMDB2010	NA	NA
+C11316	Tetraphenylarsonium	C24H20As	383.0781	NA	KEGG	NA	NA
+C11317	Solutol HS 15	C18H36O3	383.0781	NA	KEGG	NA	NA
+MJ051101	Djenkolic acid, N-Glutamyl 	C12H21N3O7S2	383.082091	NA	MeJP	NA	NA
+CJneg0573	3-indole carboxylic acid glucuronide [(M-H)+(HCOOH)]-	C16H16NO10	383.085825	C18rt(min)=6.2 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0573	3-indole carboxylic acid glucuronide [(M-H)+(HCOOH)]-	C16H16NO10	383.085825	C18rt(min)=6.2 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ051102	[[3,3'-[(2,2-Dimethyl-1,3-propanediyl)diimino]bis[2-butanone]dioximato](3-)-N,N',N'',N''']oxotechnetium 	C13H25N4O3Tc	383.099881	NA	MeJP	NA	NA
+C10602	Lilaline	C20H17NO7	383.1005	NA	KEGG	NA	NA
+FL5FAANCN001	Lilaline	C20H17NO7	383.1005	110011-49-9	knapsack	NA	NA
+MJ051103	Berberal 	C20H17NO7	383.100501	NA	MeJP	NA	NA
+MJ051104	Chilenine 	C20H17NO7	383.100501	NA	MeJP	NA	NA
+MJ051105	Lilaline 	C20H17NO7	383.100501	NA	MeJP	NA	NA
+MJ051106	Procumbine 	C20H17NO7	383.100501	NA	MeJP	NA	NA
+MJ051107	Torulosine 	C20H17NO7	383.100501	NA	MeJP	NA	NA
+PJ000726	CMM 	C13H25N3O4S3	383.1007	NA	PeJP	NA	NA
+CJpos0783	Succinyladenosine [(M+H)]+	C14H18N5O8	383.107175	C18rt(min)=4.7 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0783	Succinyladenosine [(M+H)]+	C14H18N5O8	383.107175	C18rt(min)=4.7 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB00912	Succinyladenosine	C14H17N5O8	383.1077	http://www.hmdb.ca/metabolites/HMDB00912	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00912	Succinyladenosine	C14H17N5O8	383.1077	http://www.hmdb.ca/metabolites/HMDB00912	HMDB	NA	NA
+HMDB00912	Succinyladenosine	C14H17N5O8	383.1077	http://www.hmdb.ca/metabolites/HMDB00912	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00912	Succinyladenosine	C14H17N5O8	383.1077	HMDB00912	PFEM_hmdb_metabocards_official	NA	NA
+MJ051108	Adenosylsuccinic acid 	C14H17N5O8	383.107712	NA	MeJP	NA	NA
+HMDB00912	Succinyladenosine	C14H17N5O8	383.107727	NA	HMDB2010	NA	NA
+CJneg0574	Succinyladenosine [(M-H)]-	C14H16N5O8	383.108225	C18rt(min)=4.7 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0574	Succinyladenosine [(M-H)]-	C14H16N5O8	383.108225	C18rt(min)=4.7 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C13109	Hyoscyamine methylbromide	C18H26NO3	383.1096	NA	KEGG	NA	NA
+MJ051109	Acutumine; 11-Epimer, N-de-Me 	C18H22ClNO6	383.113565	NA	MeJP	NA	NA
+MJ051110	Acutumine; N-De-Me 	C18H22ClNO6	383.113565	NA	MeJP	NA	NA
+C10565	Acutumidine	C18H22ClNO6	383.1136	NA	KEGG	NA	NA
+PJ000727	CDF 	C16H21N3O6S	383.1151	NA	PeJP	NA	NA
+MJ051111	Karnamicin A1 	C16H21N3O6S	383.115106	NA	MeJP	NA	NA
+MJ051112	4-[[6-Methoxy-2-(4-methoxyphenyl)-3-benzofuranyl]carbonyl]benzonitrile 	C24H17NO4	383.115758	NA	MeJP	NA	NA
+MetaCyc03293	S-tubercidinylhomocysteine [(S)-7-(5-S-(3-amino-3-carboxypropyl)-5-thio-&beta;-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine;]	C15H21N5O5S1	383.12634	NA	metacyc	NA	NA
+PJ000728	SDY 	C16H21N3O8	383.1329	NA	PeJP	NA	NA
+C11029	Fluazifop butyl	C19H20F3NO4	383.1344	NA	KEGG	NA	NA
+FL3FEANCN001	Phyllospadine	C21H21NO6	383.13688	76540-48-2	knapsack	NA	NA
+MJ051113	Adlumine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051114	Corlumine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051115	Cornigerine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051116	Corynoline, 5?-Hydroxy 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051117	Coulteropine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051118	Cryptopine; 13-Oxo 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051119	Gravacridonediol; 2'-O-Ac 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051120	Hydrastine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051121	Ocotominarine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051122	Peshawarine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051123	Phyllospadine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051124	Pontevedrine; 5-Alcohol 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051125	Rhoeadine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051126	Yenhusomidine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+MJ051127	Zijinlongine 	C21H21NO6	383.136887	NA	MeJP	NA	NA
+C09324	(+)-Adlumine	C21H21NO6	383.1369	NA	KEGG	NA	NA
+C09462	(-)-alpha-Hydrastine	C21H21NO6	383.1369	NA	KEGG	NA	NA
+C09619	Rhoeadine	C21H21NO6	383.1369	NA	KEGG	NA	NA
+C10609	Phyllospadine	C21H21NO6	383.1369	NA	KEGG	NA	NA
+C13799	(+)-Hydrastine	C21H21NO6	383.1369	NA	KEGG	NA	NA
+HMDB01542	N-Acetyllactosamine	C14H25NO11	383.14276	http://www.hmdb.ca/metabolites/HMDB01542	HMDB	NA	NA
+HMDB06535	beta-1,4-mannose-N-acetylglucosamine	C14H25NO11	383.14276	http://www.hmdb.ca/metabolites/HMDB06535	HMDB	NA	NA
+HMDB06575	Lacto-N-biose I	C14H25NO11	383.14276	http://www.hmdb.ca/metabolites/HMDB06575	HMDB	NA	NA
+HMDB06583	Poly-N-acetyllactosamine	C14H25NO11	383.14276	http://www.hmdb.ca/metabolites/HMDB06583	HMDB	NA	NA
+MJ051128	2-Amino-2-deoxy-3-O-?-D-glucopyranosyl-D-galactose; ?-Pyranose-form, N-Ac 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+MJ051129	3-O-(2-Amino-2-deoxy-?-D-glucopyranosyl)-D-galactose; N-Ac 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+MJ051130	3-O-(2-Amino-2-deoxy-?-D-galactopyranosyl)-D-galactose; N-Ac 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+MJ051131	4-O-(2-Amino-2-deoxy-?-D-galactopyranosyl)-D-galactose; N-Ac 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+MJ051132	6-O-(2-Amino-2-deoxy-?-D-glucopyranosyl)-D-galactose; N-Ac 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+MJ051133	Lacto-N-biose I 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+MJ051134	Lactosamine; N-Ac 	C14H25NO11	383.14276	NA	MeJP	NA	NA
+HMDB01542	N-Acetyllactosamine	C14H25NO11	383.14276	HMDB01542	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06535	beta-1,4-mannose-N-acetylglucosamine	C14H25NO11	383.14276	HMDB06535	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06575	Lacto-N-biose I	C14H25NO11	383.14276	HMDB06575	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06583	Poly-N-acetyllactosamine	C14H25NO11	383.14276	HMDB06583	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01542	N-Acetyllactosamine	C14H25NO11	383.142761	NA	HMDB2010	NA	NA
+HMDB06535	Beta-1,4-mannose-N-acetylglucosamine	C14H25NO11	383.142761	NA	HMDB2010	NA	NA
+HMDB06575	Lacto-N-biose I	C14H25NO11	383.142761	NA	HMDB2010	NA	NA
+HMDB06583	Poly-N-acetyllactosamine	C14H25NO11	383.142761	NA	HMDB2010	NA	NA
+MetaCyc03294	1-D-myo-inosityl-2-acetamido-2-deoxy-&alpha;-D-glucopyranoside [GlcNAc-Ins;]	C14H25N1O11	383.142761	NA	metacyc	NA	NA
+MetaCyc03295	&beta;-D-galactosyl-1,4-N-acetyl-&beta;-D-glucosamine [&beta;-D-galactosyl-1,4-N-acetyl-D-glucosamine;N-acetyllactosamine;]	C14H25N1O11	383.142761	32181-59-2	metacyc	NA	NA
+MetaCyc03296	&beta;-D-Gal-1-3-D-GlcNAc [&beta;-D-galactopyranosyl-(1->3)-N-acetyl-D-glucosamine;]	C14H25N1O11	383.142761	NA	metacyc	NA	NA
+C00611	N-Acetyllactosamine	C14H25NO11	383.1428	NA	KEGG	NA	NA
+C06372	Lacto-N-biose	C14H25NO11	383.1428	NA	KEGG	NA	NA
+C07278	beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine	C14H25NO11	383.1428	NA	KEGG	NA	NA
+MJ051135	9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-(2-amino-3-methylbutanoyl)(S-) 	C20H21N3O5	383.14812	NA	MeJP	NA	NA
+8030	synthetic peptide	PHM	383.1504	antibacterial	Inhouse_peptide	NA	peptide
+MJ051136	Meropenem 	C17H25N3O5S	383.151491	NA	MeJP	NA	NA
+MJ051137	Veralipride 	C17H25N3O5S	383.151491	NA	MeJP	NA	NA
+PJ000729	AMY 	C17H25N3O5S	383.1515	NA	PeJP	NA	NA
+PJ000730	NNH 	C14H21N7O6	383.1553	NA	PeJP	NA	NA
+PJ000731	GGNH 	C14H21N7O6	383.1554	NA	PeJP	NA	NA
+MJ051138	Prazosin 	C19H21N5O4	383.159354	NA	MeJP	NA	NA
+C07368	Prazosin	C19H21N5O4	383.1594	NA	KEGG	NA	NA
+PJ000732	PMH 	C16H25N5O4S	383.1627	NA	PeJP	NA	NA
+MJ051139	4'-[(2-Cyclopropyl-7-methyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl][1,1'-biphenyl]-2-carboxylic acid 	C24H21N3O2	383.163376	NA	MeJP	NA	NA
+MJ051140	Antibiotic K 252c; N6-(1-Methylethoxy)methyl 	C24H21N3O2	383.163376	NA	MeJP	NA	NA
+C07397	Quetiapine	C21H25N3O2S	383.1667	NA	KEGG	NA	NA
+MJ051141	Quetiapine 	C21H25N3O2S	383.166747	NA	MeJP	NA	NA
+HMDB05021	Quetiapine	C21H25N3O2S	383.166748	NA	HMDB2010	NA	NA
+HMDB05021	Quetiapine	C21H25N3O2S	383.16675	http://www.hmdb.ca/metabolites/HMDB05021	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05021	Quetiapine	C21H25N3O2S	383.16675	http://www.hmdb.ca/metabolites/HMDB05021	HMDB	NA	NA
+HMDB05021	Quetiapine	C21H25N3O2S	383.16675	http://www.hmdb.ca/metabolites/HMDB05021	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05021	Quetiapine	C21H25N3O2S	383.16675	HMDB05021	PFEM_hmdb_metabocards_official	NA	NA
+7989	synthetic peptide	LHD	383.1689	hypotensive	Inhouse_peptide	NA	peptide
+PJ000733	TTY 	C17H25N3O7	383.1693	NA	PeJP	NA	NA
+MJ051142	Corycavidine 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051143	Erioaustralasine; 4'?-form 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051144	Erioaustralasine; 4'?-form 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051145	Fumaritridine, Me ether 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051146	N-Methylsecoglaucine; O8,N-Di-de-Me, N-Ac 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051147	Peniprequinolone 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051148	Prenylcitpressine; 3,6-Di-Me ether 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051149	Raddeanamine 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051150	Thalicsimidine, 6a,7-Didehydro 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+MJ051151	Thalihazine 	C22H25NO5	383.173272	NA	MeJP	NA	NA
+HMDB12211	Dihydrozeatin-7-N-dihydrozeatin	C16H25N5O6	383.180481	NA	HMDB2010	NA	NA
+HMDB12213	Dihydrozeatin-9-N-glucoside	C16H25N5O6	383.180481	NA	HMDB2010	NA	NA
+HMDB12214	Dihydrozeatin-O-glucoside	C16H25N5O6	383.180481	NA	HMDB2010	NA	NA
+MJ051152	6-(4-Hydroxy-3-methylbutylamino)purine, O-?-D-Glucopyranoside 	C16H25N5O6	383.180483	NA	MeJP	NA	NA
+MetaCyc03297	dihydrozeatin-O-glucoside []	C16H25N5O6	383.180484	NA	metacyc	NA	NA
+MetaCyc03298	dihydrozeatin-9-N-glucoside []	C16H25N5O6	383.180484	NA	metacyc	NA	NA
+MetaCyc03299	dihydrozeatin-7-N-dihydrozeatin []	C16H25N5O6	383.180484	NA	metacyc	NA	NA
+C16448	Dihydrozeatin-O-glucoside	C16H25N5O6	383.1805	NA	KEGG	NA	NA
+PJ000734	VEH 	C16H25N5O6	383.1805	NA	PeJP	NA	NA
+PJ000735	AFF 	C21H25N3O4	383.1845	NA	PeJP	NA	NA
+MJ051153	Naamine C 	C21H25N3O4	383.184506	NA	MeJP	NA	NA
+MJ051154	Scaevodimerine A 	C21H25N3O4	383.184506	NA	MeJP	NA	NA
+MJ051155	Dichlorolissoclimide; 3-Dechloro 	C20H30ClNO4	383.186336	NA	MeJP	NA	NA
+7557	ACE inhibitor from spinach	YPLDLF	383.18895	MH2+	Inhouse_peptide	NA	peptide
+MJ051156	Antibiotic LL-AM 31?; N2-Ac 	C14H29N3O9	383.190379	NA	MeJP	NA	NA
+MJ051157	Sorbistin B 	C14H29N3O9	383.190379	NA	MeJP	NA	NA
+MJ051158	Intermedine; 3'-Epimer, O7,O3'-di-Ac 	C19H29NO7	383.194402	NA	MeJP	NA	NA
+MJ051159	Intermedine; O3',O7-Di-Ac 	C19H29NO7	383.194402	NA	MeJP	NA	NA
+MJ051160	Syneilesine 	C19H29NO7	383.194402	NA	MeJP	NA	NA
+MJ051161	Trifenagrel 	C25H25N3O	383.199762	NA	MeJP	NA	NA
+MJ051162	Spiramide 	C22H26FN3O2	383.200905	NA	MeJP	NA	NA
+MJ051163	Corymotine 	C23H29NO4	383.209658	NA	MeJP	NA	NA
+MJ051164	Epocarbazolin B 	C23H29NO4	383.209658	NA	MeJP	NA	NA
+MJ051165	Hetidine; 3-Deoxy, 2-Ac 	C23H29NO4	383.209658	NA	MeJP	NA	NA
+MJ051166	Neocarazostatin A; 1'-Me ether 	C23H29NO4	383.209658	NA	MeJP	NA	NA
+MJ051167	Puhinamide 	C23H29NO4	383.209658	NA	MeJP	NA	NA
+MJ051168	Tilsuprost 	C20H33NO4S	383.213029	NA	MeJP	NA	NA
+MJ051169	Benzyldodecyldimethylammonium(1+); Bromide 	C21H38BrN	383.218762	NA	MeJP	NA	NA
+MJ051170	3-Amino-Nb-methylsecovoacarpine 	C22H29N3O3	383.220891	NA	MeJP	NA	NA
+MJ051171	Nibentan 	C22H29N3O3	383.220891	NA	MeJP	NA	NA
+MJ051172	Trecadrine 	C27H29NO	383.224914	NA	MeJP	NA	NA
+MJ051173	Intermedine; 3'-Epimer, O3'-(3-methylbutanoyl) 	C20H33NO6	383.230787	NA	MeJP	NA	NA
+MJ051174	Punctanecine 	C20H33NO6	383.230787	NA	MeJP	NA	NA
+MJ051175	Tandospirone 	C21H29N5O2	383.232125	NA	MeJP	NA	NA
+MJ051176	Janolusimide 	C19H33N3O5	383.242021	NA	MeJP	NA	NA
+MJ051177	Aspochalasin C; 17,18-Dideoxy, 17,18-epoxide 	C24H33NO3	383.246043	NA	MeJP	NA	NA
+MJ051178	Denaverine 	C24H33NO3	383.246043	NA	MeJP	NA	NA
+MJ051179	Guineensine 	C24H33NO3	383.246043	NA	MeJP	NA	NA
+MJ051180	Naftidrofuryl 	C24H33NO3	383.246043	NA	MeJP	NA	NA
+MJ051181	Neovasipyridone; N-(2-Phenylethyl) 	C24H33NO3	383.246043	NA	MeJP	NA	NA
+MJ051182	Sylvatine 	C24H33NO3	383.246043	NA	MeJP	NA	NA
+MJ051183	Isokalihinol F 	C23H33N3O2	383.257277	NA	MeJP	NA	NA
+MJ051184	Kalihinol F 	C23H33N3O2	383.257277	NA	MeJP	NA	NA
+MJ051185	Flavovirin 	C21H37NO5	383.267173	NA	MeJP	NA	NA
+HMDB13332	3-Hydroxy-5, 8-tetradecadiencarnitine	C21H37NO5	383.267181	NA	HMDB2010	NA	NA
+C11306	Acetylleucyl-leucyl-norleucinal	C20H37N3O4	383.2784	NA	KEGG	NA	NA
+MJ051186	Dioctatin; Dioctatin B 	C20H37N3O4	383.278406	NA	MeJP	NA	NA
+MJ051187	Quadazocine 	C25H37NO2	383.282429	NA	MeJP	NA	NA
+MJ051188	16-Phenyl-2,4-hexadecadienoic acid, 2-Methylpropylamide 	C26H41NO	383.318814	NA	MeJP	NA	NA
+MJ051189	Buxaminone 	C26H41NO	383.318814	NA	MeJP	NA	NA
+MJ051190	Cyclobuxophylline O; N,N-Di-Me 	C26H41NO	383.318814	NA	MeJP	NA	NA
+MJ051191	Cyclobuxoviridine L 	C26H41NO	383.318814	NA	MeJP	NA	NA
+MJ051192	Melinamide 	C26H41NO	383.318814	NA	MeJP	NA	NA
+MJ051193	Veracintine 	C26H41NO	383.318814	NA	MeJP	NA	NA
+MJ051194	N',N'',N''-Trimethyl-N-(3-methyl-2,4-dodecadienoyl)spermidine, 2',3',4',5'-Tetrahydro 	C23H49N3O	383.387563	NA	MeJP	NA	NA
+MJ051195	1,1,4,4-Tetrabromo-3-buten-2-ol 	C4H4Br4O	383.699565	NA	MeJP	NA	NA
+MJ051196	8-Bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methyl-1,3,7-octatriene 	C10H10BrCl5	383.840851	NA	MeJP	NA	NA
+C06650	2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane	C14H9Cl5O2	383.9045	NA	KEGG	NA	NA
+MJ051197	2,3-Dihydroxy 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane 	C14H9Cl5O2	383.904518	NA	MeJP	NA	NA
+C13622	Dibromobisphenol A	C15H14Br2O2	383.9361	NA	KEGG	NA	NA
+MJ051198	5,5'-Dibromo-2',6',6'-trimethylspiro[benzofuran-2(3H),1'-cyclohex-2'-ene] 	C16H18Br2O	383.97244	NA	MeJP	NA	NA
+MJ051199	Zinoconazole 	C15H11Cl3N4S	383.977	NA	MeJP	NA	NA
+MJ051200	Erdin 	C16H10Cl2O7	383.980358	NA	MeJP	NA	NA
+MJ051201	Ethyl(2-mercaptobenzoato-S)mercury 	C9H10HgO2S	384.010775	NA	MeJP	NA	NA
+MJ051202	Triclodazol 	C17H15Cl3N2O2	384.01991	NA	MeJP	NA	NA
+MJ051203	Palmarumycin C7; 6,7-Dihydro 	C20H13ClO6	384.040065	NA	MeJP	NA	NA
+MJ051204	Ticarcillin 	C15H16N2O6S2	384.044977	NA	MeJP	NA	NA
+C07139	Ticarcillin	C15H16N2O6S2	384.045	NA	KEGG	NA	NA
+CJneg0575	Citric acid [2M-H]-	C12H15O14	384.054525	C18rt(min)=1.6 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0576	Citric acid [2M-H]-	C12H15O14	384.054525	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0575	Citric acid [2M-H]-	C12H15O14	384.054525	C18rt(min)=1.6 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0576	Citric acid [2M-H]-	C12H15O14	384.054525	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C11705	SC-58125	C17H12F4N2O2S	384.0556	NA	KEGG	NA	NA
+PJ000736	GCCC 	C11H20N4O5S3	384.0596	NA	PeJP	NA	NA
+MJ051205	1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 1-O-Feruloyl(E) 	C16H16O11	384.069261	NA	MeJP	NA	NA
+MJ051206	Thunbergioside 	C14H21ClO10	384.082324	NA	MeJP	NA	NA
+C12366	Tetracenomycin F2	C20H16O8	384.0845	NA	KEGG	NA	NA
+MJ051207	2-[2-(2,4-Dihydroxy-6-methylbenzoyl)-3-hydroxybenzyl]-6-hydroxy-4H-1-pyran-4-one; 5'-Hydroxy 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051208	3,3',4,4',5',7-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4-Di-Me ether 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051209	8,10-Dihydroxy-5-[(6-hydroxy-4-oxo-4H-pyran-2-yl)methyl]-2-methyl-4H-naphtho[1,2-b]pyran-4-one; 2,3-Dihydro, 2?-hydroxy 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051210	9,10-Dihydro-3,6,8-trihydroxy-9,10-dioxo-1-(1-oxopropyl)-2-anthraceneacetic acid; Me ester 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051211	Antibiotic C 112-III; 1'-Oxo 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051212	Hydroxyversicolorone 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051213	Momofulvenone A; 4-Ac 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051214	Nidurufin 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051215	Preussomerin A; 3'?-Hydroxy, 2',3'-dihydro, 1-epimer 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051216	Sterigmatocystin; 10,11-Dimethoxy 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MJ051217	Tetracenomycin F2 	C20H16O8	384.084517	NA	MeJP	NA	NA
+MetaCyc03300	dimethoxysterigmatocystin []	C20H16O8	384.084517	NA	metacyc	NA	NA
+MJ051218	18-Bromo-12,13-epoxy-9-hydroxy-10,15-octadecadien-17-ynoic acid 	C18H25BrO4	384.093621	NA	MeJP	NA	NA
+MetaCyc03301	S-Inosyl-L-homocysteine []	C14H18N5O6S1	384.097779	NA	metacyc	NA	NA
+MJ051219	Calomelanol D; 3,4'-Dideoxy 	C24H16O5	384.099773	NA	MeJP	NA	NA
+MJ051220	Diclofurime 	C18H22Cl2N2O3	384.100747	NA	MeJP	NA	NA
+MJ051221	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,6-Di-Me ether, 7-O-?-D-glucopyranoside 	C17H20O10	384.105646	NA	MeJP	NA	NA
+MJ051222	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-Me ether, 6-O-?-D-glucopyranoside 	C17H20O10	384.105646	NA	MeJP	NA	NA
+MJ051223	5,6,7-Trihydroxy-2H-1-benzopyran-2-one; 6,7-Di-Me ether, 5-O-?-D-glucopyranoside 	C17H20O10	384.105646	NA	MeJP	NA	NA
+MJ051224	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether, 7-O-?-D-glucopyranoside 	C17H20O10	384.105646	NA	MeJP	NA	NA
+MJ051225	6,7,8-Trihydroxy-2H-1-benzopyran-2-one; 6,8-Di-Me ether, 7-O-?-D-glucopyranoside 	C17H20O10	384.105646	NA	MeJP	NA	NA
+MJ051226	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 7-Me ether, 8-O-?-D-glucopyranoside 	C17H20O10	384.105646	NA	MeJP	NA	NA
+MJ051227	Anhydrohapaloxindole B 	C21H21ClN2OS	384.106311	NA	MeJP	NA	NA
+CJpos0784	Succinyladenosine [(M+H)]+ (13C)	C1313CH18N5O8	384.110475	C18rt(min)=4.7 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0784	Succinyladenosine [(M+H)]+ (13C)	C1313CH18N5O8	384.110475	C18rt(min)=4.7 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ051228	5,12-Dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylic acid; Mono-Me ester 	C23H16N2O4	384.111007	NA	MeJP	NA	NA
+CJneg0577	Succinyladenosine [(M-H)]- (13C)	C1313CH16N5O8	384.111625	C18rt(min)=4.7 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0577	Succinyladenosine [(M-H)]- (13C)	C1313CH16N5O8	384.111625	C18rt(min)=4.7 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C10552	4'-Demethyldeoxypodophyllotoxin	C21H20O7	384.1209	NA	KEGG	NA	NA
+FL3FRNNR0006	Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one	C21H20O7	384.1209	60791-47-1	knapsack	NA	NA
+FL4DADNP0001	Eriotrinol	C21H20O7	384.1209	151590-49-7	knapsack	NA	NA
+FL4DALNP0001	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone	C21H20O7	384.1209	-	knapsack	NA	NA
+FL5F9ANI0001	Uralene;2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one	C21H20O7	384.1209	150853-99-9	knapsack	NA	NA
+FL5FACNP0001	4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone	C21H20O7	384.1209	52617-83-1	knapsack	NA	NA
+FL5FADNI0001	Gancaonin P 3'methyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C21H20O7	384.1209	151776-21-5	knapsack	NA	NA
+FL5FDCNI0002	5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone	C21H20O7	384.1209	151649-34-2	knapsack	NA	NA
+FL5FDCNI0004	5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one	C21H20O7	384.1209	150853-98-8	knapsack	NA	NA
+FL5FEANI0001	3,5,7-Trihydroxy-6-methoxy-4'-prenyloxyflavone	C21H20O7	384.1209	160036-25-9	knapsack	NA	NA
+FL5FF9NI0001	8-Hydroxygalangin 3-methyl ether 8-methylbutyrate	C21H20O7	384.1209	128508-14-5	knapsack	NA	NA
+FL5FF9NS0015	Isognaphalin 8-butyrate	C21H20O7	384.1209	98204-85-4	knapsack	NA	NA
+FL5FFANI0001	3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone	C21H20O7	384.1209	160036-24-8	knapsack	NA	NA
+FLIAAENI0003	Gancaonin D	C21H20O7	384.1209	124596-88-9	knapsack	NA	NA
+FLIAALNI0004	Piscerythrone;5,7,2',4'-Tetrahydroxy-5'-methoxy-3'-prenylisoflavone	C21H20O7	384.1209	6506-96-3	knapsack	NA	NA
+FLIAALNI0005	Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone	C21H20O7	384.1209	11025-91-5	knapsack	NA	NA
+FLIBHXNP0001	Sophoronol;3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavanone	C21H20O7	384.1209	62498-98-0	knapsack	NA	NA
+FLIE1CNI0002	Mirificoumestan hydrate;3,9-Dihydroxy-8-methoxy-7-(3-hydroxy-3-methylbutyl)coumestan	C21H20O7	384.1209	114865-44-0	knapsack	NA	NA
+FLIHALNP0002	Licopyranocoumarin	C21H20O7	384.1209	117038-80-9	knapsack	NA	NA
+MJ051229	1,2-Dicoumaroylglycerol 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051230	1,3-Dicoumaroylglycerol 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051231	1-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 4,7-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051232	1-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 3,7-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051233	2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 5'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051234	2',4',5,5',7-Pentahydroxy-6-prenylisoflavone; 5'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051235	2,3,3',4,4'-Pentahydroxylign-7-en-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051236	2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7-(4-hydroxyphenyl)-3-methoxy-5H-furo[3,2-g][1]benzopyran-5-one 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051237	2-(3,4-Dihydroxyphenyl)-9,10-dihydro-3,5-dihydroxy-8,8,10-trimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051238	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051239	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,4-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051240	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,1'-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051241	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051242	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,4-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051243	2-Acetyl-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-methyl-5,6-methylenedioxyindenone 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051244	3',4',5,5',7-Pentahydroxy-2'-prenylisoflavone; 3'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051245	3',4',5,5',7-Pentahydroxy-2'-prenylisoflavone; 5'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051246	3,3',4',5,7-Pentahydroxy-2'-prenylflavone; 3-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051247	3,3',4',5,7-Pentahydroxy-5'-prenylflavone; 3-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051248	3,3',4',5,7-Pentahydroxy-6-prenylflavone; 3'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051249	3,3',4',5,7-Pentahydroxy-6-prenylflavone; 3-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051250	3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3',4'-Methylene, 3,4-di-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051251	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,4:3',4'-Bis(methylene), 5-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051252	3,4',5,5',6-Pentahydroxy-2'-prenylflavone; 3-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051253	3,4',5,6,7-Pentahydroxyflavone; 6-Me ether, 4'-O-(3-methyl-2-butenyl) 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051254	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 4'-O-(3-Methyl-2-butenyl) 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051255	3,5,7,8-Tetrahydroxyflavone; 3-Me ether, 8-O-(2-methylbutanoyl) 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051256	3,8,9-Trihydroxy-7-prenylcoumestan; 8-Me ether, 2',3'-dihydro, 3'-hydroxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051257	3,8-Dihydroxy-1-methylanthraquinone; 3-O-(2,6-Dideoxy-?-D-arabino-hexopyranoside) 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051258	3-Methoxysesamin 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051259	4'-Demethylpodophyllotoxin; 7-Deoxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051260	4'-Demethylpodophyllotoxin; 8'-Epimer, 7-deoxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051261	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',3-Dibenzoyl 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051262	7-(1,3-Benzodioxol-5-yl)-6,7-dihydro-4,5,6,9-tetramethoxy-5H-furo[3,2-g]-1-benzopyran, 3-Demethoxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051263	7-Dehydroxy-4-demethylpodophyllotoxin 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051264	Alpinumisoflavone; 3,4-Dihydro, 3?-hydroxy, 4?-methoxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051265	Averufanin, 8-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051266	Chasnarolide; 3'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051267	Daunomycin; Aglycone, 10-deoxy, 13-alcohol 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051268	Dulxanthone F 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051269	Eriotrinol 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051270	Erythrinin C; 3-Methoxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051271	Feudomycin A; Aglycone 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051272	Galacturonic acid; ?-D-Pyranose-form, 1,2:3,4-Di-O-benzylidene, Me ester 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051273	Gancaonin C; 3'-Hydroxy, 4'-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051274	Garvin B; 2-Hydroxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051275	Glyasperin E 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051276	Isoglycycoumarin; 12-Hydroxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051277	Isoglycycoumarin; 7-Hydroxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051278	Licofuranocoumarin 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051279	Lisetin; 2',3'-Dihydro, 3'-hydroxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051280	Norsolorinic acid; 6-Me ether 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051281	Oxyisocyclointegrin 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051282	Piscerisoflavone B; 2'-Deoxy 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051283	Secundiflorol B 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051284	Sesangolin 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051285	Sophoronol 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051286	Trichostin; 2-Ketone (lactone) 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051287	Wailupemycin B 	C21H20O7	384.120902	NA	MeJP	NA	NA
+MJ051288	Wailupemycin C 	C21H20O7	384.120902	NA	MeJP	NA	NA
+HMDB00939	S-Adenosylhomocysteine	C14H20N6O5S	384.12158	http://www.hmdb.ca/metabolites/HMDB00939	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00939	S-Adenosylhomocysteine	C14H20N6O5S	384.12158	http://www.hmdb.ca/metabolites/HMDB00939	HMDB	NA	NA
+HMDB00939	S-Adenosylhomocysteine	C14H20N6O5S	384.12158	http://www.hmdb.ca/metabolites/HMDB00939	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00939	S-Adenosylhomocysteine	C14H20N6O5S	384.12158	HMDB00939	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00939	S-Adenosylhomocysteine	C14H20N6O5S	384.121582	NA	HMDB2010	NA	NA
+MJ051289	S-Adenosyl-L-homocysteine 	C14H20N6O5S	384.121588	NA	MeJP	NA	NA
+MetaCyc03302	S-adenosyl-L-homocysteine [AdoHcy;2-S-adenosyl-L-homocysteine;S-adenosyl-homocysteine;S-adenosylhomocysteine;adenosyl-homo-cys;adenosylhomocysteine;adenosylhomo-cys;SAH;]	C14H20N6O5S1	384.121588	979-92-0	metacyc	NA	NA
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	HMDB	NA	NA
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	Inhouse_PFEM	NA	NA
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR056	Adenylhomocysteine	C14H20N6O5S	384.121591	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR056	S-adenylhomocysteine	C14H20N6O5S	384.1216	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR056	S-adenylhomocysteine	C14H20N6O5S	384.1216	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR056	S-adenylhomocysteine	C14H20N6O5S	384.1216	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR056	S-adenylhomocysteine	C14H20N6O5S	384.1216	Wishlist	Inhousejuil11	NA	NA
+C00021	S-Adenosyl-L-homocysteine	C14H20N6O5S	384.1216	NA	KEGG	NA	NA
+MJ051290	Clodoxopone 	C21H21ClN2O3	384.12407	NA	MeJP	NA	NA
+MetaCyc03303	acetylmaltose []	C14H24O12	384.126776	NA	metacyc	NA	NA
+C02130	Acetyl-maltose	C14H24O12	384.1268	NA	KEGG	NA	NA
+CJneg0578	Quinic acid [(2M-H)]-	C14H23O12	384.127325	C18rt(min)=0.89 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0578	Quinic acid [(2M-H)]-	C14H23O12	384.127325	C18rt(min)=0.89 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ051291	6-Bromo-17-hydroxy-17-methyl-4-oxaandrostan-3-one 	C19H29BrO3	384.130007	NA	MeJP	NA	NA
+MJ051292	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(3-Chloro-2-hydroxy-2-methylpropanoyl) 	C19H25ClO6	384.133966	NA	MeJP	NA	NA
+MJ051293	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Methylpropanoyl) 	C19H25ClO6	384.133966	NA	MeJP	NA	NA
+C08504	Macrozamin	C13H24N2O11	384.138	NA	KEGG	NA	NA
+PJ000737	NDH 	C14H20N6O7	384.1394	NA	PeJP	NA	NA
+MJ051294	1,5-Anhydroglucitol, 6-O-(3,4,5-Trimethoxycinnamoyl) 	C18H24O9	384.142032	NA	MeJP	NA	NA
+MJ051295	1-O-Coumaroylglycerol, 4'-Deoxy, 2-O-?-D-glucopyranoside 	C18H24O9	384.142032	NA	MeJP	NA	NA
+MJ051296	Ethyl glucoside; ?-D-Pyranose-form, 4-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C18H24O9	384.142032	NA	MeJP	NA	NA
+FL2FAFNI0001	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone	C22H24O6	384.15728	147047-03-8	knapsack	NA	NA
+FL2FCDNI0002	Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether	C22H24O6	384.15728	39953-50-9	knapsack	NA	NA
+FLIBALNI0009	Echinoisosophoranone;5,4'-Dihydroxy-7,2'-dimethoxy-5'-(1''',1'''-dimethylallyl)isoflavanone	C22H24O6	384.15728	125300-48-3	knapsack	NA	NA
+MJ051297	11,12-Dihydroxy-3,7-dioxo-1,8,11,13-abietatetraen-20,6-olide, Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051298	2',4',5',7-Tetrahydroxy-6-prenylisoflavanone; 2',5'-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051299	2',4',5,7-Tetrahydroxy-6-methyl-8-prenylisoflavanone, 7-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051300	2',4',5,7-Tetrahydroxy-6-prenylisoflavanone; 4',7-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051301	2',4',6',7-Tetrahydroxy-3'-prenylflavanone, 2',4'-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051302	3',4',5,7-Tetrahydroxy-2'-prenylflavanone, 3',4'-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051303	3',4',5,7-Tetrahydroxy-5'-prenylflavanone, 3',4'-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051304	3',4',5,7-Tetrahydroxyflavanone, 4'-O-(3-Methyl-2-butenyl), 3',7-di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051305	3,3',4,4'-Tetrahydroxylign-7-en-9,9'-olide, Tetra-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051306	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-O-(3-Methyl-2-butenyl), 3-Ac 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051307	5'-(1,1-Dimethyl-2-propenyl)-2',3',4',7-tetrahydroxyisoflavanone, 3',4'-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051308	5'-(1,1-Dimethyl-2-propenyl)-2',4',5,7-tetrahydroxyisoflavanone; 2',7-Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051309	5,6-Epoxy-11,12-dihydroxy-3,7-dioxo-1,8,11,13-abietatetraen-20-al, Di-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051310	Antibiotic M 3 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051311	Cubebin; Et ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051312	Furaquinocin E 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051313	Kanzonol N 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051314	Leptosphaerodione; 1-Methoxy 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051315	Myricanol; Ketone, 12-oxo, 5-Me ether 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051316	Onosone B; 1'-O-(3-Methyl-2-butenoyl) 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051317	Penicillide, 1'-Deoxy, 1',2'-didehydro, 3'-methoxy 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051318	Piperulin B 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051319	Ramosissin 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051320	Vismione C 	C22H24O6	384.157288	NA	MeJP	NA	NA
+MJ051321	Wuweizisu C 	C22H24O6	384.157288	NA	MeJP	NA	NA
+C10893	Schizandrin C	C22H24O6	384.1573	NA	KEGG	NA	NA
+HMDB00386	3b,16a-Dihydroxyandrostenone sulfate	C19H28O6S	384.160675	NA	HMDB2010	NA	NA
+HMDB00386	3b,16a-Dihydroxyandrostenone sulfate	C19H28O6S	384.16068	http://www.hmdb.ca/metabolites/HMDB00386	HMDB	NA	NA
+HMDB00386	3b,16a-Dihydroxyandrostenone sulfate	C19H28O6S	384.16068	HMDB00386	PFEM_hmdb_metabocards_official	NA	NA
+MJ051322	2,3-Butanediol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C15H28O11	384.163161	NA	MeJP	NA	NA
+PJ000738	GPPD 	C16H24N4O7	384.1645	NA	PeJP	NA	NA
+MJ051323	3-Bromo-8,13-epoxy-14-labden-6-ol 	C20H33BrO2	384.166392	NA	MeJP	NA	NA
+MJ051324	Bromotetrasphaerol 	C20H33BrO2	384.166392	NA	MeJP	NA	NA
+MJ051325	Coronopifoliol 	C20H33BrO2	384.166392	NA	MeJP	NA	NA
+MJ051326	Dactylopyranoid 	C20H33BrO2	384.166392	NA	MeJP	NA	NA
+MJ051327	Rotalin B 	C20H33BrO2	384.166392	NA	MeJP	NA	NA
+MJ051328	4-[2-(2-Benzoxazolylmethylamino)ethoxy]-?-ethoxybenzenepropanoic acid 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051329	Akuammicine, 11-Methoxy, 19,20-dihydro, 19-oxo, 20?-hydroxy 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051330	Alschomine 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051331	Alstonoxine B 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051332	Hedrantherine; 11-Hydroxy 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051333	Lanceomigine; N-De-Me, N4-oxide 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051334	Mitraphylline; 7-Epimer, N-oxide 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051335	Mitraphylline; N-Oxide 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051336	Rumberine 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051337	Toborinone 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051338	Uncarine, N-Oxide 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+MJ051339	Voamonine 	C21H24N2O5	384.168521	NA	MeJP	NA	NA
+PJ000739	TQH 	C15H24N6O6	384.1757	NA	PeJP	NA	NA
+PJ000740	GATH 	C15H24N6O6	384.1758	NA	PeJP	NA	NA
+MJ051340	Artesunate 	C19H28O8	384.178417	NA	MeJP	NA	NA
+MJ051341	Castela polyandra Glycoside 	C19H28O8	384.178417	NA	MeJP	NA	NA
+MJ051342	3-[[[3,4-Dihydro-1-oxo-7-(1-piperazinyl)-2(1H)-isoquinolinyl]acetyl]amino]-4-pentynoic acid 	C20H24N4O4	384.179755	NA	MeJP	NA	NA
+MJ051343	8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-diethyl-3,7-dihydro-7-methyl-1H-purine-2,6-dione 	C20H24N4O4	384.179755	NA	MeJP	NA	NA
+MJ051344	Becantone 	C22H28N2O2S	384.187148	NA	MeJP	NA	NA
+MJ051345	Perimetazine 	C22H28N2O2S	384.187148	NA	MeJP	NA	NA
+MJ051346	2-Hydroxy-1(10)-oplopene-4,9-dione; 2?-form, O-(4-Methoxybenzoyl) 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051347	5-Hydroxy-2,2-dimethyl-6-(2-methyl-1-oxobutyl)-10-(1-methylpropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051348	5-Hydroxy-2,2-dimethyl-6-(3-methyl-1-oxobutyl)-10-(1-methylpropyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051349	5-Hydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051350	Bisabosqual A 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051351	Calanolide A; 12-Epimer, 12-Me ether 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051352	Calanolide A; Me ether 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051353	Cristatic acid 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051354	Dactylolide 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051355	Deflectin 1b 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051356	Malabaricone A; 3',4'-(Methylenedioxy), 2-Me ether 	C23H28O5	384.193674	NA	MeJP	NA	NA
+MJ051357	Piptoporic acid; 2,3-Dihydro, 3R-acetoxy 	C23H28O5	384.193674	NA	MeJP	NA	NA
+PJ000741	APPT 	C17H28N4O6	384.2009	NA	PeJP	NA	NA
+C04578	16-Methoxy-2,3-dihydro-3-hydroxytabersonine	C22H28N2O4	384.2049	NA	KEGG	NA	NA
+C09236	Rhyncophylline	C22H28N2O4	384.2049	NA	KEGG	NA	NA
+C16980	Isorhynchophylline	C22H28N2O4	384.2049	NA	KEGG	NA	NA
+MJ051358	10-Methoxyyohimbine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051359	11-Methoxyyohimbine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051360	Aspidolimidine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051361	Cathafoline; 11-Methoxy, 18-hydroxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051362	Cathafoline; 11-Methoxy, 19?,20?-epoxide 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051363	Cathafoline; 11-Methoxy, N4-oxide 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051364	Cathovaline; O-De-Ac 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051365	Corynoxine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051366	Cylindrocarine, N-Formyl 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051367	Deserpidic acid; Me ester 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051368	Dihydrocorymine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051369	Dihydrocorynantheine pseudoindoxyl 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051370	Dihydrocorynantheine, N-Oxide 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051371	Eglandine; 10-Methoxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051372	Gambirine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051373	Herbaine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051374	Hervine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051375	Hirsutine; N-Oxide 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051376	Humantenirine; N4-Me 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051377	Isogambirine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051378	Isovoacangine; 3-Hydroxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051379	Isovoacristine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051380	Kopsinaline; 12-Methoxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051381	Minovincinine, 11-Methoxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051382	Raucanine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051383	Rhyncophylline 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051384	Sitsirikine; 10-Methoxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051385	Spermostrychnine; 12-Hydroxy, 11-methoxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051386	Strychnorubigine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051387	Strychnosplendine; 11-Methoxy, N1-Ac 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051388	Venenatine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051389	Vincamajine; 19?-Hydroxy, 19,20-dihydro 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051390	Vincamine, 11-Methoxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051391	Vindolidine, O-De-Ac 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051392	Voacangine hydroxyindolenine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051393	Voacangine; 3S-Hydroxy 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051394	Voacristine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051395	Voaluteine 	C22H28N2O4	384.204907	NA	MeJP	NA	NA
+MJ051396	Echitamine 	C22H29N2O4(+)	384.204907	NA	MeJP	NA	NA
+MetaCyc03304	3-hydroxy-16-methoxy-2,3-dihydrotabersonine [16-methoxy-2,3-dihydro-3-hydroxytabersonine;]	C22H28N2O4	384.204907	NA	metacyc	NA	NA
+MJ051397	7-[5-Chloro-2-(3-cyclohexyl-3-hydroxy-1-propenyl)-3-hydroxycyclopentyl]-5-heptenoic acid 	C21H33ClO4	384.206737	NA	MeJP	NA	NA
+MJ051398	7-[6,6-Difluoro-1-(3-hydroxy-1-octenyl)-3-oxobicyclo[3.1.0]hex-2-yl]-5-heptenoic acid 	C21H30F2O4	384.211215	NA	MeJP	NA	NA
+PJ000742	TKH 	C16H28N6O5	384.2121	NA	PeJP	NA	NA
+MJ051399	Diabroticin A; 1'-Deoxy 	C16H28N6O5	384.212118	NA	MeJP	NA	NA
+MJ051400	1,7,14,17,20-Pentahydroxy-15-kauranone 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051401	2,3-Epoxy-5,6,7,10,14,16-grayanotoxanehexol 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051402	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Dihydroxy-2-methylbutanoyl) 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051403	Cinnzeylanol 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051404	Eufoboetol 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051405	Euphorrepinol 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051406	Perseanol 	C20H32O7	384.214803	NA	MeJP	NA	NA
+MJ051407	Lixazinone 	C21H28N4O3	384.21614	NA	MeJP	NA	NA
+MJ051408	[1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]cyclopentylmethanone 	C21H28N4O3	384.21614	NA	MeJP	NA	NA
+MJ051409	Annonidine C; 2',3'-Epoxide 	C26H28N2O	384.220163	NA	MeJP	NA	NA
+MJ051410	1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxycinnamoyl)(E-) 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051411	1(10)-Guaiene-8,11-diol, 8-(4-Hydroxycinnamoyl) 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051412	1-(2,4,6-Trihydroxyphenyl)-6,9,12,15-octadecatetraen-1-one 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051413	1-(2,6-Dihydroxy-4-methoxyphenyl)-11-phenyl-1-undecanone 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051414	10(14)-Guaiene-4,6,8-triol, 8-Cinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051415	13-(3,4-Dihydroxyphenyl)-2,4,12-tridecatrienoic acid, Methylene ether, 2-methylpropyl ester 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051416	14-Hydroxy-3-oxobufa-20,22-dienolide 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051417	19-Norpregn-4-en-20-yne-3,17-diol, Di-Ac 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051418	3,14-Dihydroxybufa-4,20,22-trienolide 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051419	3-Hydroxy-15-oxobufa-20,22-dienolide 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051420	3-Hydroxy-4(15)-eudesmen-12-oic acid, 3-Phenylpropanoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051421	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-Cinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051422	7-Eudesmene-1,2,4-triol, 4-Cinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051423	7-Eudesmene-1,3,4-triol, 4-Cinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051424	8(12)-Drimen-11-ol, 2,4-Dihydroxycinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051425	8(12)-Drimen-11-ol, 3,4-Dihydroxycinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051426	8,9-Epoxy-4,6-daucanediol, 6-Cinnamoyl (E-) 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051427	8-Daucene-4,6-diol, 6-(4-Hydroxycinnamoyl) (E-) 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051428	8-Daucene-4,6-diol, 6-O-(4-Acetoxybenzoyl) 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051429	Antheliolide A; 8?,23-Epoxide 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051430	Bufogenin 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051431	Desfuranoazadiradione 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051432	Echinaxanthol; 8-Cinnamoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051433	Epolone B 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051434	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(Butanoylacetyl) 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051435	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Dipropanoyl 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051436	Fekrynol 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051437	Kamolol 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051438	Megestrol; Ac 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051439	Peyssonol B 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051440	Rupestrinol orthocinnamate 	C24H32O4	384.230059	NA	MeJP	NA	NA
+MJ051441	Vernoeggersic acid 	C24H32O4	384.230059	NA	MeJP	NA	NA
+C08151	Megestrol acetate	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12724	Ethynodiol diacetate	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12725	Transferred to D01295	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12726	Transferred to D01296	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12727	Transferred to D01297	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12728	Transferred to D01298	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12729	Transferred to D01299	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12730	Transferred to D01300	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12731	Transferred to D01301	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12732	Transferred to D01302	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12733	Transferred to D01303	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12734	Transferred to D01304	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12735	Transferred to D01305	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12736	Transferred to D01306	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12737	Transferred to D01307	C24H32O4	384.2301	NA	KEGG	NA	NA
+C12738	Transferred to D01308	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13077	Estradiol dipropionate	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13078	Transferred to D01618	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13079	Transferred to D01619	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13080	Transferred to D01620	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13081	Transferred to D01621	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13082	Transferred to D01622	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13083	Transferred to D01623	C24H32O4	384.2301	NA	KEGG	NA	NA
+C13084	Transferred to D01624	C24H32O4	384.2301	NA	KEGG	NA	NA
+C15350	Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate	C24H32O4	384.2301	NA	KEGG	NA	NA
+C17058	Resibufogenin	C24H32O4	384.2301	NA	KEGG	NA	NA
+3543	ACE inhibitor	LRP	384.237	ACE inhibitor	Inhouse_peptide	NA	peptide
+7547	ACE inhibitor	IRP	384.237	antioxidative	Inhouse_peptide	NA	peptide
+PJ000743	GPVL 	C18H32N4O5	384.2373	NA	PeJP	NA	NA
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR505	Acide eicosapentaenoique 20 :5 F3	NA	384.238325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR505	Acide eicosapentaenoique 20 :5 F3	NA	384.238325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR505	Acide eicosapentaenoique 20 :5 F3	NA	384.238325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR505	Acide eicosapentaenoique 20 :5 F3	NA	384.238325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR505	Acide eicosapentaenoique 20 :5 F3	F3	384.238325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ051442	2-Hydroxy-1-methylpropyl 6-methyl-1-(methylethyl)ergoline-8-carboxylic acid 	C23H32N2O3	384.241292	NA	MeJP	NA	NA
+MJ051443	Aspidolimine 	C23H32N2O3	384.241292	NA	MeJP	NA	NA
+MJ051444	Pyrifolidine 	C23H32N2O3	384.241292	NA	MeJP	NA	NA
+MJ051445	Vincaminoridine 	C23H32N2O3	384.241292	NA	MeJP	NA	NA
+MJ051446	Zipeprol 	C23H32N2O3	384.241292	NA	MeJP	NA	NA
+MJ051447	Ibutilide 	C20H36N2O3S	384.244663	NA	MeJP	NA	NA
+C07753	Ibutilide	C20H36N2O3S	384.2447	NA	KEGG	NA	NA
+C07754	Transferred to D00648	C20H36N2O3S	384.2447	NA	KEGG	NA	NA
+PJ000744	PLR 	C17H32N6O4	384.2485	NA	PeJP	NA	NA
+MJ051448	3,4,11,12-Tetrahydroxy-7,15(17)-cembradien-16-oic acid, Me ester 	C21H36O6	384.251188	NA	MeJP	NA	NA
+MJ051449	Betaenone D 	C21H36O6	384.251188	NA	MeJP	NA	NA
+MJ051450	Muellitol 	C21H36O6	384.251188	NA	MeJP	NA	NA
+MJ051451	Thromboxane B2 	C21H36O6	384.251188	NA	MeJP	NA	NA
+MJ051452	Epipolasinthiourea A 	C24H36N2S	384.259919	NA	MeJP	NA	NA
+MJ051453	Epipolasinthiourea B 	C24H36N2S	384.259919	NA	MeJP	NA	NA
+MJ051454	12'-Apo-?-carotene-3,12'-diol; 5?,6?-Epoxide 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051455	12-Hydroxy-16-scalarene-24,25-dial, 12-Ketone 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051456	15-Beyerene-14,19-diol, 19-Aldehyde, 14-angeloyl 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051457	15-Beyerene-14,19-diol, 19-Aldehyde, 14-tigloyl 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051458	17-Hydroxyestr-4-en-3-one; 17?-form, Cyclohexanecarboxylate 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051459	21-(2-Furanyl)-5,7-heneicosadiynoic acid 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051460	23,24,25,26,27-Pentanor-3-oxocycloartan-22,16-olide 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051461	3-Hydroxy-26,27-dinorcholesta-5,22-diene-7,24-dione 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051462	Aplysolide A 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051463	Cacospongionolide B; Deoxy 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051464	Cochliobolin C 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051465	Coscinalactone 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051466	Cyclolinteinone 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051467	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Heptanoyl 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051468	Furoscalarol; 16-Ketone, O-de-Ac 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051469	Isodehydroluffariellolide 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051470	Lintenone 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051471	Luffarin E; 15Z-Isomer, 20-deoxy 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051472	Luffarin E; 20-Deoxy 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051473	Luffariolide A 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051474	Ophiobolin C; 6-Epimer, 14?-hydroxy, 3-deoxy, 3,4-didehydro 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051475	Ophiobolin I 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051476	Ophiobolin J; 8-Deoxy 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051477	Ophiobolin K 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MJ051478	Persicachrome 	C25H36O3	384.266445	NA	MeJP	NA	NA
+MetaCyc03305	C25-allenic-apo-aldehyde []	C25H36O3	384.266445	NA	metacyc	NA	NA
+MJ051479	9,11,15-Trihydroxy-10,10-dimethyl-13-prostenoic acid 	C22H40O5	384.287574	NA	MeJP	NA	NA
+MJ051480	Glutamine, N2-Hexadecanoyl 	C21H40N2O4	384.298807	NA	MeJP	NA	NA
+MJ051481	24,25,26,27-Tetranor-3-oxocycloartan-23-al 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051482	24-Norcholest-5-ene-3,7-dione 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051483	3-(1,1-Dimethylheptyl)-6a,7,10,10a-tetrahydro-1-methoxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051484	3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-methoxy-6,6-dimethyl-9-methylene-6H-dibenzo[b,d]pyran 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051485	3-Hydroxy-24-norcholesta-5,22-dien-7-one 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051486	3-Hydroxy-27-norcholesta-5,25-dien-24-one 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051487	Calicoferol H 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051488	Ceriferol 1; 23-Carboxylic acid, Me ester 	C26H40O2	384.30283	NA	MeJP	NA	NA
+MJ051489	Pregna-14,16-diene-3,20-diamine, N3,N3,N20-Tri-Me, N20-formyl 	C25H40N2O	384.314063	NA	MeJP	NA	NA
+MJ051490	Xestamine A 	C25H40N2O	384.314063	NA	MeJP	NA	NA
+MJ051491	1,2-Dihydroxy-12,15-heneicosadien-4-one, 12,13,15,16-Tetrahydro, 1-Ac 	C23H44O4	384.323959	NA	MeJP	NA	NA
+MJ051492	5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 5-Hexadecyl-3,5-dimethyl-1,2-dioxolane-3-acetic acid 	C23H44O4	384.323959	NA	MeJP	NA	NA
+MJ051493	Amphiasterin B2; 13',14'-Dihydro 	C23H44O4	384.323959	NA	MeJP	NA	NA
+MJ051494	Tricosanedioic acid 	C23H44O4	384.323959	NA	MeJP	NA	NA
+HMDB11543	MG(0:0/20:1(11Z)/0:0)	C23H44O4	384.323975	NA	HMDB2010	NA	NA
+HMDB11573	MG(20:1(11Z)/0:0/0:0)	C23H44O4	384.323975	NA	HMDB2010	NA	NA
+EUR094	cholecalciferol	C27H44O	384.3392	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR094	cholecalciferol	C27H44O	384.3392	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR094	cholecalciferol	C27H44O	384.3392	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR094	cholecalciferol	C27H44O	384.3392	Wishlist	Inhousejuil11	NA	NA
+C00599	Cholest-4-en-3-one	C27H44O	384.3392	NA	KEGG	NA	NA
+C01164	Cholesta-5,7-dien-3beta-ol	C27H44O	384.3392	NA	KEGG	NA	NA
+C01802	Desmosterol	C27H44O	384.3392	NA	KEGG	NA	NA
+C05104	delta7,24-Cholestadien-3beta-ol	C27H44O	384.3392	NA	KEGG	NA	NA
+C05437	Zymosterol	C27H44O	384.3392	NA	KEGG	NA	NA
+C05439	5alpha-Cholesta-7,24-dien-3beta-ol	C27H44O	384.3392	NA	KEGG	NA	NA
+C05443	Vitamin D3	C27H44O	384.3392	NA	KEGG	NA	NA
+C07711	Previtamin D(3)	C27H44O	384.3392	NA	KEGG	NA	NA
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB00876	Vitamin D3	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB00921	Cholestenone	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB02027	8-Dehydrocholesterol	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB02719	Desmosterol	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB06271	Zymosterol intermediate 2	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB06500	Previtamin D3	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB06505	Lumisterol 3	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB06560	Tachysterol 3	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB06719	5,6-trans-Vitamin D3	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB06842	5a-Cholesta-7,24-dien-3b-ol	C27H44O	384.339203	NA	HMDB2010	NA	NA
+HMDB12178	5Alpha-cholesta-8-en-3-one	C27H44O	384.339203	NA	HMDB2010	NA	NA
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	HMDB	NA	NA
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	Inhouse_PFEM	NA	NA
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR094	cholecalciferol	C27H44O	384.339215	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ051495	Cholesta-5,7-dien-3beta-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051496	Cholesta-7,24-dien-3beta-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051497	Cholest-4-en-3-one 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051498	Desmosterol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051499	Vitamin D3 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051500	Zymosterol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051501	11-Methyl-4,23-hexacosadiene-1,25-diyn-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051502	22,29,30-Trinor-21-hopanone 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051503	24,26-Cyclocholesterol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051504	27-Norergosta-5,22-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051505	27-Norergosta-7,22-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051506	9,10-Secocholesta-5,7,10(19)-trien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051507	Cericerene; 13?-Ethoxy 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051508	Cholest-4-en-3-one 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051509	Cholesta-22,24-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051510	Cholesta-5,20-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051511	Cholesta-5,22-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051512	Cholesta-5,24-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051513	Cholesta-5,7-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051514	Cholesta-5,8-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051515	Cholesta-7,22-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051516	Cholesta-8,24-dien-3-ol 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051517	Gracilipene 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051518	Papakusterol; 5?,6-Dihydro 	C27H44O	384.339216	NA	MeJP	NA	NA
+MJ051519	Trisnorisoespinenoxide 	C27H44O	384.339216	NA	MeJP	NA	NA
+MetaCyc03306	zymosterol [5&alpha;-cholesta-8,24-dien-3&beta;-ol;&delta;8, 24-cholestadien-3&beta;-ol;]	C27H44O1	384.339216	128-33-6	metacyc	NA	NA
+MetaCyc03307	5&alpha;-cholesta-7,24-dien-3&beta;-ol [5&alpha;-cholesta-7,24-dien-3-&beta;-ol;(24R)-cholest-5-ene 3-&beta;,7-&alpha;,24-triol;]	C27H44O1	384.339216	NA	metacyc	NA	NA
+MetaCyc03308	desmosterol [desmosterol;24-dehydrocholesterol;&Delta;5,24-cholestadien-3-&beta;-ol;desmesterol;24-dehydrocholesterol;]	C27H44O1	384.339216	313-04-2	metacyc	NA	NA
+MetaCyc03309	cholest-4-en-3-one [cholestenone;4-cholesten-3-one;]	C27H44O1	384.339216	601-57-0	metacyc	NA	NA
+MetaCyc03310	7-dehydro-cholesterol [7-dehydro-cholesterol;cholesta-5,7-dien-3 &beta;-ol;cholesta-5,7-dienol;7-dehydrocholesterol;cholesta-5,7-dien-3&beta;-ol;]	C27H44O1	384.339216	434-16-2	metacyc	NA	NA
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00032	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00032	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00876	Vitamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00876	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02027	8-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB02027	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02719	Desmosterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB02719	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06500	Previtamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06500	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00032	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00032	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00032	HMDB	NA	NA
+HMDB00876	Vitamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00876	HMDB	NA	NA
+HMDB00921	Cholestenone	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00921	HMDB	NA	NA
+HMDB00997	5a-Cholesta-7,24-dien-3b-ol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00997	HMDB	NA	NA
+HMDB02027	8-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB02027	HMDB	NA	NA
+HMDB02719	Desmosterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB02719	HMDB	NA	NA
+HMDB06271	zymosterol intermediate 2	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06271	HMDB	NA	NA
+HMDB06500	Previtamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06500	HMDB	NA	NA
+HMDB06505	Lumisterol 3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06505	HMDB	NA	NA
+HMDB06560	Tachysterol 3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06560	HMDB	NA	NA
+HMDB06719	5,6-trans-Vitamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06719	HMDB	NA	NA
+HMDB06842	5alpha-Cholesta-7,24-dien-3beta-ol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06842	HMDB	NA	NA
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00032	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00876	Vitamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB00876	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02027	8-Dehydrocholesterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB02027	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02719	Desmosterol	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB02719	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06500	Previtamin D3	C27H44O	384.33923	http://www.hmdb.ca/metabolites/HMDB06500	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00032	7-Dehydrocholesterol	C27H44O	384.33923	HMDB00032	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00876	Vitamin D3	C27H44O	384.33923	HMDB00876	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00921	Cholestenone	C27H44O	384.33923	HMDB00921	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00997	5a-Cholesta-7,24-dien-3b-ol	C27H44O	384.33923	HMDB00997	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02027	8-Dehydrocholesterol	C27H44O	384.33923	HMDB02027	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02719	Desmosterol	C27H44O	384.33923	HMDB02719	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06271	zymosterol intermediate 2	C27H44O	384.33923	HMDB06271	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06500	Previtamin D3	C27H44O	384.33923	HMDB06500	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06505	Lumisterol 3	C27H44O	384.33923	HMDB06505	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06560	Tachysterol 3	C27H44O	384.33923	HMDB06560	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06719	5,6-trans-Vitamin D3	C27H44O	384.33923	HMDB06719	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06842	5alpha-Cholesta-7,24-dien-3beta-ol	C27H44O	384.33923	HMDB06842	PFEM_hmdb_metabocards_official	NA	NA
+C10795	Buxamine E	C26H44N2	384.3504	NA	KEGG	NA	NA
+MJ051520	Buxamine I; N20,N20-Di-Me 	C26H44N2	384.350449	NA	MeJP	NA	NA
+MJ051521	Buxamine I; N3,N3-Di-Me 	C26H44N2	384.350449	NA	MeJP	NA	NA
+MJ051522	Buxupapine; N20-De-Me 	C26H44N2	384.350449	NA	MeJP	NA	NA
+MJ051523	Papilamine 	C26H44N2	384.350449	NA	MeJP	NA	NA
+MJ051524	15-Hydroxytricosanoic acid; Me ether 	C24H48O3	384.360345	NA	MeJP	NA	NA
+MJ051525	2-Hydroxy-22-methyltricosanoic acid 	C24H48O3	384.360345	NA	MeJP	NA	NA
+MJ051526	2-Hydroxytetracosanoic acid 	C24H48O3	384.360345	NA	MeJP	NA	NA
+MJ051527	24-Hydroxytetracosanoic acid 	C24H48O3	384.360345	NA	MeJP	NA	NA
+MJ051528	3-Hydroxytetracosanoic acid 	C24H48O3	384.360345	NA	MeJP	NA	NA
+MJ051529	24,28-Dinoroleanane; 18?-form 	C28H48	384.375601	NA	MeJP	NA	NA
+MJ051530	25,30-Dinorhopane; 17àH-form 	C28H48	384.375601	NA	MeJP	NA	NA
+MJ051531	25,30-Dinorneohopane; 18àH-form 	C28H48	384.375601	NA	MeJP	NA	NA
+MJ051532	28,30-Dinorhopane 	C28H48	384.375601	NA	MeJP	NA	NA
+MJ051533	5,10-Pentacosanediol 	C25H52O2	384.39673	NA	MeJP	NA	NA
+MJ051534	6,8-Pentacosanediol 	C25H52O2	384.39673	NA	MeJP	NA	NA
+MJ051535	10,10-Dimethyl-7-hexacosanone 	C26H56O	384.433116	NA	MeJP	NA	NA
+7903	peptide from bovine b-lactoglobulin	WYSLAM	384.6677	MH2+	Inhouse_peptide	NA	peptide
+MJ051536	2,4,7(3,4,7)-Tribromo-3(2)-chloro-1H-indole 	C8H3Br3ClN	384.750414	NA	MeJP	NA	NA
+MJ051537	Odiline 	C11H9Br2N5O	384.917385	NA	MeJP	NA	NA
+MJ051538	Lissoclinotoxin A; 8-(Methylthio), Me ether 	C11H15NO2S6	384.942702	NA	MeJP	NA	NA
+MJ051539	Benoxafos 	C12H14Cl2NO3PS2	384.952976	NA	MeJP	NA	NA
+MJ051540	[2-Chloro-2-[4-chloro-5-hydroxy-3-methyl-3-(4-methyl-3-pentenyl)cyclohexylidene]ethyl]carbonimidic dichloride 	C16H23Cl4NO	385.053375	NA	MeJP	NA	NA
+MJ051541	Iometopane 	C16H20INO2	385.053872	NA	MeJP	NA	NA
+CJneg0579	Citric acid [2M-H]- (13C)	C11[13]CH15O14	385.057925	C18rt(min)=1.09 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0579	Citric acid [2M-H]- (13C)	C11[13]CH15O14	385.057925	C18rt(min)=1.09 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ051542	6,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester 	C19H15NO8	385.079766	NA	MeJP	NA	NA
+MJ051543	7,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; Me ester 	C19H15NO8	385.079766	NA	MeJP	NA	NA
+MJ051544	Antibiotic M 53A2 	C15H19N3O7S	385.09437	NA	MeJP	NA	NA
+MJ051545	2,3-Dihydro-3,5-dihydroxy-2-oxo-1H-indole-3-acetic acid, 5-O-?-D-Glucopyranoside 	C16H19NO10	385.100895	NA	MeJP	NA	NA
+MJ051546	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid, 5-O-?-D-Glucopyranoside 	C16H19NO10	385.100895	NA	MeJP	NA	NA
+MJ051547	2,3-Dihydro-3,7-dihydroxy-2-oxo-1H-indole-3-acetic acid, 7-O-?-D-Glucopyranoside 	C16H19NO10	385.100895	NA	MeJP	NA	NA
+C03431	S-Inosyl-L-homocysteine	C14H19N5O6S	385.1056	NA	KEGG	NA	NA
+MJ051548	Chromopyrrolic acid 	C22H15N3O4	385.106255	NA	MeJP	NA	NA
+MJ051549	4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-trifluoromethylbenzonitrile 	C17H18F3N3O2S	385.107182	NA	MeJP	NA	NA
+MJ051550	1-[(4-Chlorophenyl)methyl]-4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidine 	C21H21Cl2N3	385.111253	NA	MeJP	NA	NA
+HMDB01408	Phosphatidylserine	C13H24NO10P	385.11377	http://www.hmdb.ca/metabolites/HMDB01408	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01408	Phosphatidylserine	C13H24NO10P	385.11377	http://www.hmdb.ca/metabolites/HMDB01408	HMDB	NA	NA
+HMDB01408	Phosphatidylserine	C13H24NO10P	385.11377	http://www.hmdb.ca/metabolites/HMDB01408	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01408	Phosphatidylserine	C13H24NO10P	385.11377	HMDB01408	PFEM_hmdb_metabocards_official	NA	NA
+MJ051551	Bicucine 	C20H19NO7	385.116151	NA	MeJP	NA	NA
+MJ051552	Intebrine 	C20H19NO7	385.116151	NA	MeJP	NA	NA
+MJ051553	Tepoxalin 	C20H20ClN3O3	385.119319	NA	MeJP	NA	NA
+C13993	Ciprofloxacin hydrochloride	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C13994	Transferred to D02217	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C13995	Transferred to D02218	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C13996	Transferred to D02219	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C13997	Transferred to D02220	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C13998	Transferred to D02221	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C13999	Transferred to D02418	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+C14000	Transferred to D02222	C17H18FN3O3	385.1205	NA	KEGG	NA	NA
+PJ000745	DDH 	C14H19N5O8	385.1234	NA	PeJP	NA	NA
+MJ051554	Sarafloxacin 	C20H17F2N3O3	385.123797	NA	MeJP	NA	NA
+MJ051555	Nilvadipine 	C19H19N3O6	385.127385	NA	MeJP	NA	NA
+MJ051556	Nocardicin G 	C19H19N3O6	385.127385	NA	MeJP	NA	NA
+MJ051557	Tunichrome Mm 1 	C19H19N3O6	385.127385	NA	MeJP	NA	NA
+C17355	Nocardicin G	C19H19N3O6	385.1274	NA	KEGG	NA	NA
+C15550	Anthocyanin 3'-O-beta-D-glucoside	C21H21O7	385.1287	NA	KEGG	NA	NA
+PJ000746	TCY 	C16H23N3O6S	385.1308	NA	PeJP	NA	NA
+MJ051558	Acetorphan 	C21H23NO4S	385.134778	NA	MeJP	NA	NA
+C09610	Polycarpine	C21H23NO6	385.1525	NA	KEGG	NA	NA
+MJ051559	2-Demethylcolchicine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051560	3-Demethylcolchicine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051561	6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[[(5,6,7,8-tetrahydro-5-oxo-1-naphthalenyl)oxy]methyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051562	?-Lumicolchicine; 5,12-Diepimer, N-de-Ac, N-formyl 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051563	?-Lumicolchicine; 5,9-Diepimer, O2-de-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051564	?-Lumicolchicine; 5,9-Diepimer, O3-de-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051565	?-Lumicolchicine; N-De-Ac, N-formyl 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051566	?-Lumicolchicine; O2-De-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051567	?-Lumicolchicine; O3-De-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051568	Alkaloid K4 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051569	Buntanmine A 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051570	Canadaline, 2'-Carboxylic acid 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051571	Chelamidine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051572	Colchiceine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051573	Glaucamine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051574	Leucoxylonine, N-De-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051575	Leucoxylonine, O8-De-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051576	Mecambridine, 11-O-De-methyl, natural form 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051577	N-Deacetylcolchicine, N-Formyl 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051578	Oreogenine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051579	Papaverrubine B 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051580	Papaverrubine C; Me ether 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051581	Papaverrubine D; N-Me 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051582	Papaverrubine F 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051583	Polycarpine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051584	Raddeanine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051585	Radixisatidis A 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051586	Renierol; 1,2-Dihydro, O-angeloyl, N-(3-oxo-1-butenyl) 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051587	Thaicanine, 8-Oxo 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051588	Thalimonine; N-Oxide 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051589	Triniifoline 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051590	Yenhusomine 	C21H23NO6	385.152537	NA	MeJP	NA	NA
+MJ051591	Antibiotic OS 3256B 	C15H23N5O7	385.159748	NA	MeJP	NA	NA
+PJ000747	TEH 	C15H23N5O7	385.1598	NA	PeJP	NA	NA
+MJ051592	Valethamate(1+); Bromide 	C19H32BrNO2	385.161641	NA	MeJP	NA	NA
+MJ051593	Bioxalomycin ?1; 10,13-Quinone 	C20H23N3O5	385.16377	NA	MeJP	NA	NA
+PJ000748	GFY 	C20H23N3O5	385.1638	NA	PeJP	NA	NA
+MJ051594	Bulgarsenine; N-(Chloromethyl) 	C19H29ClNO5(+)	385.1656	NA	MeJP	NA	NA
+MJ051595	Paucicaline 	C18H27NO8	385.173666	NA	MeJP	NA	NA
+MJ051596	Ruzorine 	C18H27NO8	385.173666	NA	MeJP	NA	NA
+MJ051597	Sceleratine; N-Oxide 	C18H27NO8	385.173666	NA	MeJP	NA	NA
+MJ051598	N-(1-Methyl-2-phenylethyl)adenosine 	C19H23N5O4	385.175004	NA	MeJP	NA	NA
+PJ000749	VMH 	C16H27N5O4S	385.1784	NA	PeJP	NA	NA
+MJ051599	Virenamide E 	C21H27N3O2S	385.182397	NA	MeJP	NA	NA
+7702	ACE inhibitor from human plasma	YLYEIA	385.1865	MH2+	Inhouse_peptide	NA	peptide
+C16709	O-Methylandrocymbine	C22H27NO5	385.1889	NA	KEGG	NA	NA
+C16714	Kreysigine	C22H27NO5	385.1889	NA	KEGG	NA	NA
+MJ051600	?-Lumicolchicine; N-De-Ac, N,N-di-Me 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051601	Androbine, O10-Me 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051602	Androbine, O2-Me 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051603	Androcymbine, Me ether 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051604	Antibiotic BE 48021 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051605	Asparagamine A 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051606	Capaurine, Me ether 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051607	Crociflorinine 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051608	Delbidine; 13-Ac 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051609	Delnuttaline 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051610	Demecolcine, N-Me 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051611	Kreysigine 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051612	Muramine 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051613	N-(3,4-Dihydroxycinnamoyl)dopamine, N,O,O,O,O-Penta-Me 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051614	Stemofoline; (E)-Isomer, 1',2'-didehydro(E-) 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051615	Stemofoline; 1',2'-Didehydro(E-) 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051616	Szovitsinine, O2-Me, N-oxide (?-) 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051617	Thaicanine, Me ether 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051618	Thalicpureine 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051619	Thalicsimidine 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051620	Uvariopsamine; N-Oxide 	C22H27NO5	385.188922	NA	MeJP	NA	NA
+MJ051621	Catalpifoline, 5?-Hydroxy, N,N-di-Me 	C22H28NO5(+)	385.188923	NA	MeJP	NA	NA
+MJ051622	Thaicanine, N-Me 	C22H28NO5(+)	385.188923	NA	MeJP	NA	NA
+3040	Inhibitor of fibrinogen and thrombin coagulation	GPRG	385.195	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000750	AAPQ 	C16H27N5O6	385.1962	NA	PeJP	NA	NA
+PJ000751	PNR 	C15H27N7O5	385.2074	NA	PeJP	NA	NA
+MJ051623	Bamifylline 	C20H27N5O3	385.211389	NA	MeJP	NA	NA
+C09152	Echitamine	C22H29N2O4	385.2127	NA	KEGG	NA	NA
+MJ051624	Propioxatin B 	C18H31N3O6	385.221285	NA	MeJP	NA	NA
+MJ051625	Antibiotic F 1839A; 2-Deoxy 	C23H31NO4	385.225308	NA	MeJP	NA	NA
+MJ051626	Puhinamide; 2'',3''-Dihydro 	C23H31NO4	385.225308	NA	MeJP	NA	NA
+MJ051627	Spirodihydrobenzofuranlactam I 	C23H31NO4	385.225308	NA	MeJP	NA	NA
+MJ051628	Stachyflin 	C23H31NO4	385.225308	NA	MeJP	NA	NA
+MJ051629	Yuzurimine B; 9,22-Didehydro, N-oxide, Ac 	C23H31NO4	385.225308	NA	MeJP	NA	NA
+PJ000752	AAPK 	C17H31N5O5	385.2325	NA	PeJP	NA	NA
+MJ051630	8-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione 	C22H31N3O3	385.236541	NA	MeJP	NA	NA
+MJ051631	Taziprinone 	C22H31N3O3	385.236541	NA	MeJP	NA	NA
+MJ051632	Buspirone 	C21H31N5O2	385.247775	NA	MeJP	NA	NA
+C06861	Buspirone	C21H31N5O2	385.2478	NA	KEGG	NA	NA
+C06862	Transferred to D00248	C21H31N5O2	385.2478	NA	KEGG	NA	NA
+C12056	Actinonin	C19H35N3O5	385.2577	NA	KEGG	NA	NA
+MJ051633	Antibiotic BE 52211 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+MJ051634	Ascosalipyrrolidinone B 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+MJ051635	Aspochalasin C; 17-Deoxy 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+MJ051636	Denudatine; O15-Ac 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+MJ051637	Piericidin; Piericidin A1, 5-Demethoxy 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+MJ051638	Temiverine 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+MJ051639	Veatchine; 15-Epimer, Ac 	C24H35NO3	385.261693	NA	MeJP	NA	NA
+C08703	Ovatine	C24H35NO3	385.2617	NA	KEGG	NA	NA
+MJ051640	Myriocin; 4-Deoxy 	C21H39NO5	385.282823	NA	MeJP	NA	NA
+HMDB13330	3-Hydroxy-cis-5-tetradecenoylcarnitine	C21H39NO5	385.282837	NA	HMDB2010	NA	NA
+MJ051641	Buxtauine M; N-Me 	C25H39NO2	385.298079	NA	MeJP	NA	NA
+MJ051642	Cyclobuxoviridine L; N-De-Me, 16?-hydroxy 	C25H39NO2	385.298079	NA	MeJP	NA	NA
+C15013	3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione	C25H39NO2	385.2981	NA	KEGG	NA	NA
+MJ051643	2-Amino-1,3-octadecanediol, N,3-Di-Ac 	C22H43NO4	385.319208	NA	MeJP	NA	NA
+MJ051644	3-Hydroxy-2-octadecylindole 	C26H43NO	385.334465	NA	MeJP	NA	NA
+3217	casoxin (fr,33-38 of bovine kappa-casein)	SRYPSY	385.6715	MH2+	Inhouse_peptide	NA	peptide
+MJ051645	2,3,5-Tribromo-6-(1-oxopropyl)-4H-pyran-4-one 	C8H5Br3O3	385.778881	NA	MeJP	NA	NA
+MJ051646	4-Bromo-3-butyl-5-(dibromomethylene)-2(5H)-furanone 	C9H9Br3O2	385.815267	NA	MeJP	NA	NA
+C14327	Heptachlor epoxide	C10H5Cl7O	385.816	NA	KEGG	NA	NA
+MJ051647	8-Bromo-1,3,4,7-tetrachloro-7-chloromethyl-3-methyl-1,5-octadiene 	C10H12BrCl5	385.856501	NA	MeJP	NA	NA
+MJ051648	cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane 	C14H11Cl5O2	385.920168	NA	MeJP	NA	NA
+C06649	cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane	C14H11Cl5O2	385.9202	NA	KEGG	NA	NA
+MJ051649	3',6-Dichloro-4',5,7-trihydroxyisoflavone; 8-Chloro, 7-Me ether 	C16H9Cl3O5	385.951556	NA	MeJP	NA	NA
+MJ051650	Deoxyokamurallene 	C15H16Br2O2	385.951705	NA	MeJP	NA	NA
+MJ051651	Isomaneonene A 	C15H16Br2O2	385.951705	NA	MeJP	NA	NA
+C08082	Tioconazole	C16H13Cl3N2OS	385.9814	NA	KEGG	NA	NA
+C08083	Transferred to D00891	C16H13Cl3N2OS	385.9814	NA	KEGG	NA	NA
+C08084	Transferred to D00892	C16H13Cl3N2OS	385.9814	NA	KEGG	NA	NA
+C08085	Transferred to D00893	C16H13Cl3N2OS	385.9814	NA	KEGG	NA	NA
+MJ051652	Tioconazole 	C16H13Cl3N2OS	385.981416	NA	MeJP	NA	NA
+C11125	Sulfentrazone	C11H10Cl2F2N4O3S	385.9819	NA	KEGG	NA	NA
+C14413	Triphenyltin chloride	C18H15ClSn	385.9884	NA	KEGG	NA	NA
+MJ051653	Quazepam 	C17H11ClF4N2S	386.026759	NA	MeJP	NA	NA
+C07336	Quazepam	C17H11ClF4N2S	386.0268	NA	KEGG	NA	NA
+C07337	Transferred to D00458	C17H11ClF4N2S	386.0268	NA	KEGG	NA	NA
+MJ051654	Salazinic acid; 1''-Aldehyde 	C18H10O10	386.027396	NA	MeJP	NA	NA
+MetaCyc03311	glutathione-sulfite []	C10H16N3O9S2	386.032796	NA	metacyc	NA	NA
+MJ051655	4-tert-Butyl-2-(chloromercuri)phenol 	C10H13ClHgO	386.036118	NA	MeJP	NA	NA
+MJ051656	Mebrofenin 	C15H19BrN2O5	386.047734	NA	MeJP	NA	NA
+MJ051657	7-Chloro-2-(3-furanyl)-1,3,8-trimethoxyxanthone 	C20H15ClO6	386.055715	NA	MeJP	NA	NA
+MJ051658	Antibiotic WP 3688-5 	C19H14O9	386.063782	NA	MeJP	NA	NA
+MJ051659	Austrocorticinic acid; 1'-Oxo, 4-hydroxy 	C19H14O9	386.063782	NA	MeJP	NA	NA
+MJ051660	Dothistromin; 2-Me ether 	C19H14O9	386.063782	NA	MeJP	NA	NA
+MJ051661	Shoyuflavone A 	C19H14O9	386.063782	NA	MeJP	NA	NA
+MJ051662	Stictic acid 	C19H14O9	386.063782	NA	MeJP	NA	NA
+MJ051663	Fluconazole; Dihydrogen phosphate ester 	C13H13F2N6O4P	386.070395	NA	MeJP	NA	NA
+MJ051664	Antibiotic C 1778B; Ac 	C15H18N2O8S	386.078386	NA	MeJP	NA	NA
+C15666	(7R)-7-(4-Carboxybutanamido)cephalosporanate	C15H18N2O8S	386.0784	NA	KEGG	NA	NA
+MJ051665	Sphagnorubin A 	C23H14O6	386.079038	NA	MeJP	NA	NA
+MJ051666	Piposulfan 	C12H22N2O8S2	386.081757	NA	MeJP	NA	NA
+C03156	O-Feruloylgalactarate	C16H18O11	386.0849	NA	KEGG	NA	NA
+C03157	O-Phospho-tau-protein	C16H18O11	386.0849	NA	KEGG	NA	NA
+MJ051667	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-glucopyranoside 	C16H18O11	386.084911	NA	MeJP	NA	NA
+MetaCyc03312	O-feruloylgalactarate []	C16H18O11	386.084911	NA	metacyc	NA	NA
+MJ051668	Antibiotic AJI 9561 	C22H14N2O5	386.090271	NA	MeJP	NA	NA
+MJ051669	Antibiotic UK 1 	C22H14N2O5	386.090271	NA	MeJP	NA	NA
+FL3FA9GS0007	Chrysin 5-xyloside	C20H18O8	386.10016	94293-82-0	knapsack	NA	NA
+FL3FEGNS0010	5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone	C20H18O8	386.10016	89029-10-7	knapsack	NA	NA
+FL3FEGNS0011	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone	C20H18O8	386.10016	132185-74-1	knapsack	NA	NA
+FL3FGCNS0014	Linderoflavone B;Lucidin dimethyl ether;5,6,7,8-Tetramethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C20H18O8	386.10016	3162-42-3	knapsack	NA	NA
+FL5FECNS0043	Melisimplexin;3,5,6,7-Tetramethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one	C20H18O8	386.10016	479-77-6	knapsack	NA	NA
+FL5FFANS0020	Pollenitin 8-butyrate	C20H18O8	386.10016	69306-83-8	knapsack	NA	NA
+FL5FFCNS0033	Meliternin	C20H18O8	386.10016	569-18-6	knapsack	NA	NA
+FLIAEGNS0003	Irisflorentin;5,3',4',5'-Tetramethoxy-6,7-methylenedioxyisoflavone	C20H18O8	386.10016	41743-73-1	knapsack	NA	NA
+FLIAGCNS0001	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone	C20H18O8	386.10016	51986-38-0	knapsack	NA	NA
+MJ051670	2',3,4,4',5,5'-Hexahydroxylignan-9,9'-olide, 3,4:4',5'-Bis(methylene) ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051671	3',4',5,5',6,7-Hexahydroxyflavone; 4',5'-Methylene, 3',5,6,7-tetra-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051672	3',4',5,5',6,7-Hexahydroxyflavone; 6,7-Methylene, 3',4',5,5'-tetra-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051673	3',4',5,5',6,7-Hexahydroxyisoflavone; 6,7-Methylene, 3',4',5,5'-tetra-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051674	3',4',5,6,7,8-Hexahydroxyflavone; 5,6,7,8-Tetra-Me, 3',4'-methylene ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051675	3',4',5,6,7,8-Hexahydroxyisoflavone; 5,6,7,8-Tetra-Me, 3',4'-Methylene ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051676	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 3',5-Di-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051677	3,3',4',5,6,7-Hexahydroxyflavone; 3',4'-Methylene, 3,5,6,7-tetra-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051678	3,3',4',5,7,8-Hexahydroxyflavone; 3',4'-methylene, 3,5,7,8-tetra-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051679	3,3',4,4',8,9-Hexahydroxy-7,9'-epoxylignan-7'-one; 3,4:3',4'-Bis(methylene) ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051680	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 8-O-butanoyl 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051681	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9,9'-Dicarboxylic acid, 3',5-di-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051682	4,8-Dihydroxysesamin 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051683	5,5'-Diferulic acid 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051684	5,7-Dihydroxyflavone; 5-O-?-D-Xylopyranoside 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051685	Arboreol 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051686	Atanasin 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051687	Cleomiscosin A 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051688	Cleomiscosin B 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051689	Dehydrodicaffeic acid dilactone; 3,3'-Di-Me ether 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051690	Dehydrodiferulic acid 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051691	Feudomycin C; 10?-Hydroxy, aglycone 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051692	Gummadiol 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051693	Hemidesmin 2 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051694	Moluccanin 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051695	O4,5'-Biferulic acid 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051696	O4,?'-Biferulic acid 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051697	Simplexolin 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051698	Wodeshiol 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051699	?,5'-Biferulic acid 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MJ051700	?-Rhodomycinone 	C20H18O8	386.100167	NA	MeJP	NA	NA
+MetaCyc03313	glucosyloxyanthraquinone []	C20H18O8	386.100168	NA	metacyc	NA	NA
+C03503	Glucosyloxyanthraquinone	C20H18O8	386.1002	NA	KEGG	NA	NA
+C09922	Cleomiscosin A	C20H18O8	386.1002	NA	KEGG	NA	NA
+C09924	Daphneticin	C20H18O8	386.1002	NA	KEGG	NA	NA
+C10446	Diferulic acid	C20H18O8	386.1002	NA	KEGG	NA	NA
+C17958	Irisflorentin	C20H18O8	386.1002	NA	KEGG	NA	NA
+MJ051701	Putidolumazine 	C14H18N4O9	386.107378	NA	MeJP	NA	NA
+MJ051702	3,6-Dibenzyl-3,6-bis(methylthio)-2,5-piperazinedione 	C20H22N2O2S2	386.112269	NA	MeJP	NA	NA
+MJ051703	7-Chloro-5-[(3,5-dimethyl-1-piperazinyl)carbonyl]imidazo[1,5-a]quinoline-3-carboxylic acid 	C19H19ClN4O3	386.114568	NA	MeJP	NA	NA
+FL1CA9NN0001	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin	C24H18O5	386.11542	73536-03-5	knapsack	NA	NA
+FL2FA9NN0002	Calomelanol J;3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione	C24H18O5	386.11542	143291-31-0	knapsack	NA	NA
+MJ051704	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin 	C24H18O5	386.115423	NA	MeJP	NA	NA
+MJ051705	Calomelanol E; 4',4''-Dideoxy 	C24H18O5	386.115423	NA	MeJP	NA	NA
+MJ051706	Ohioensin C; 3-Me ether 	C24H18O5	386.115423	NA	MeJP	NA	NA
+MJ051707	Rubiflavin C1; Bisdeglycosyl 	C24H18O5	386.115423	NA	MeJP	NA	NA
+MJ051708	1-O-p-Coumaroylglucose; ?-D-form, 3',5'-Dimethoxy 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MJ051709	3-(2,4,5-Trihydroxyphenyl)-2-propenoic acid, 4,5-Di-Me ether, 2-O-?-D-glucopyranoside 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MJ051710	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,5-Di-Me ether, 4-O-?-D-glucopyranoside 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MJ051711	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3,5-Di-Me ether, ?-D-glucopyranosyl ester 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MJ051712	6-O-p-Coumaroylglucose, 3',5'-Dimethoxy 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MJ051713	Arbutin; 6-O-(3,4-Dihydroxy-2-methylenebutanoyl)(R-) 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MJ051714	Hedyotoside 	C17H22O10	386.121296	NA	MeJP	NA	NA
+MetaCyc03314	1-sinapoyl-D-glucose []	C17H22O10	386.121297	29881-39-8	metacyc	NA	NA
+MetaCyc03315	1-O-sinapoyl-&beta;-D-glucose [1-O-sinapoyl &beta;-D-glucoside;]	C17H22O10	386.121297	NA	metacyc	NA	NA
+C01175	1-O-Sinapoyl-beta-D-glucose	C17H22O10	386.1213	NA	KEGG	NA	NA
+C02919	4-O-beta-D-Glucosyl-sinapate	C17H22O10	386.1213	NA	KEGG	NA	NA
+MJ051715	3-Hydroxykynurenine, O-Glucoside 	C16H22N2O9	386.13253	NA	MeJP	NA	NA
+FL1C99GS0001	4'-Hydroxychalcone 4'-glucoside	C21H22O7	386.13655	82784-43-8	knapsack	NA	NA
+FL2FALNI0016	Kenusanone D	C21H22O7	386.13655	144161-81-9	knapsack	NA	NA
+FL2FALNI0030	Kushenol V;5,7,2',4'-Tetrahydroxy-5'-methoxy-6-prenylflavanone	C21H22O7	386.13655	254886-75-4	knapsack	NA	NA
+FL2FALNI0031	Kushenol W;5,7,2',4'-Tetrahydroxy-5'-methoxy-8-prenylflavanone	C21H22O7	386.13655	254886-76-5	knapsack	NA	NA
+FL4DADNI0001	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone	C21H22O7	386.13655	104696-10-8	knapsack	NA	NA
+FL5FABNI0002	Icaritin	C21H22O7	386.13655	-	knapsack	NA	NA
+FL5FDANI0003	Topazolin hydrate;5,7-Dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C21H22O7	386.13655	109605-84-7	knapsack	NA	NA
+FLIA1LNI0003	Kwakhurin hydrate;7,4',6'-Trihydroxy-3'-methoxy-2'-(3-hydroxy-3-methylbutyl)isoflavone	C21H22O7	386.13655	111922-30-6	knapsack	NA	NA
+FLIBHXNI0001	Secundifloran	C21H22O7	386.13655	63882-44-0	knapsack	NA	NA
+MJ051716	1,2,3,6,8-Pentahydroxy-7-isopropylanthraquinone; 1,2,3,6-Tetra-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051717	1-(4-Hydroxyphenyl)-3-phenyl-2-propen-1-one; O-?-D-Glucopyranoside 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051718	2',3',4',5,7-Pentahydroxy-5'-prenylisoflavanone, 4'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051719	2',3,3',4',7-Pentahydroxy-5'-prenylisoflavanone, 4'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051720	2',3,4',5,7-Pentahydroxy-3'-prenylisoflavanone; 2'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051721	2',4',5',7-Tetrahydroxy-6'-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 5'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051722	2',4',5,5',7-Pentahydroxy-6-prenylflavanone, 5'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051723	2',4',5,5',7-Pentahydroxy-8-prenylflavanone, 5'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051724	2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 4'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051725	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 3-O-Angeloyl, 1'-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051726	3,3',4',5,7-Pentahydroxy-8-prenylflavanone, 3'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051727	3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3,3',4-Tri-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051728	3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3,3',5-Tri-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051729	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4-di-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051730	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,5-di-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051731	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4-di-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051732	3,4',5,7-Tetrahydroxy-6-prenylflavone; 2'',3''-Dihydro, 3''-hydroxy, 3-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051733	3-Heptene-1,2,5,6,7-pentol; 1,5-Dibenzoyl 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051734	3-Heptene-1,2,5,6,7-pentol; 1,7-Dibenzoyl 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051735	3-[6-Hydroxy-4'-(hydroxyoxiranylmethyl)-2',5,6'-trimethoxy[1,1'-biphenyl]-3-yl]-2-propenal 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051736	4,5-Demethylene-7-deoxypodophyllotoxin 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051737	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 9-Aldehyde, 3',5,5'-tri-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051738	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-Carboxylic acid, 3',5-di-Me ether, Me ester 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051739	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; Bis-O-(2,3-epoxy-3-methylbutyl) 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051740	7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051741	Annulin B 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051742	Averantin; 1'-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051743	Averantin; 6-Me ether 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051744	Aviprin, 2'-Angeloyl 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051745	Aviprin, 2'-O-(3-Methyl-2-butenoyl) 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051746	Decursidinol, 3'-O-Angeloyl, 4'-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051747	Decursidinol, 4'-O-(3-Methyl-2-butenoyl), 3'-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051748	Decursidinol, 4'-O-Angeloyl, 3'-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051749	Divaronic acid 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051750	Guayadequiol 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051751	Heraclenol, 2'-O-(3-Methyl-2-butenoyl) 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051752	Heraclenol, 3'-O-Angeloyl 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051753	Khellactone, 10-Angeloyl, 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051754	Khellactone, 10-O-(3-Methyl-2-butenoyl), 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051755	Khellactone, 9-Angeloyl, 10-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051756	Khellactone, 9-O-(3-Methyl-2-butenoyl), 10-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051757	Khellactone, 10-Tigloyl, 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051758	Khellactone, 9-Angeloyl, 10-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051759	Khellactone, 10-Angeloyl, 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051760	Khellactone, 10-O-(3-Methyl-2-butenoyl), 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051761	Khellactone, 10-Tigloyl, 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051762	Khellactone, 9-Tigloyl, 10-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051763	Khellactone, 10-Angeloyl, 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051764	Khellactone, 10-Tigloyl, 9-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051765	Khellactone, 9-Angeloyl, 10-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051766	Khellactone, 9-O-(3-Methyl-2-butenoyl), 10-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051767	Methoxypiperitol 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051768	Psorospermindiol; O4'-Et 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051769	Secondifloran 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051770	Spironaphthodione 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051771	Trichostin 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051772	Vaginidiol; 1''-O-(3-Methyl-2-butenoyl), 3'-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051773	Vaginidiol; 1''-O-Angeloyl, 3'-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051774	Vaginidiol; 3'-O-(3-Methyl-2-butenoyl), 1''-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+MJ051775	Vaginidiol; 3'-O-Angeloyl, 1''-O-Ac 	C21H22O7	386.136553	NA	MeJP	NA	NA
+C09270	Isosamidin	C21H22O7	386.1366	NA	KEGG	NA	NA
+C09284	Peucenidin	C21H22O7	386.1366	NA	KEGG	NA	NA
+C09307	Pteryxin	C21H22O7	386.1366	NA	KEGG	NA	NA
+C09310	Samidin	C21H22O7	386.1366	NA	KEGG	NA	NA
+C14948	2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O7	386.1366	NA	KEGG	NA	NA
+PJ000753	CQH 	C14H22N6O5S	386.1373	NA	PeJP	NA	NA
+MJ051776	2-Amino-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-ethanamine, N,N'-Ac 	C20H22N2O6	386.147786	NA	MeJP	NA	NA
+MJ051777	3-Amino-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-ethanamine, N,N'-Di-Ac 	C20H22N2O6	386.147786	NA	MeJP	NA	NA
+MJ051778	Mesoridazine 	C21H26N2OS2	386.148654	NA	MeJP	NA	NA
+C07143	Mesoridazine	C21H26N2OS2	386.1487	NA	KEGG	NA	NA
+MJ051779	Clonitazene 	C20H23ClN4O2	386.150953	NA	MeJP	NA	NA
+FL3FA9NP0002	Fulvinervin B;(E)-5-Hydroxy-8,8-dimethyl-6-(3-methyl-1,3-butadienyl)-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-8,8-dimethyl-6-[(1E)-3-methyl-1,3-butadienyl]-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H22O4	386.1518	99877-72-2	knapsack	NA	NA
+MJ051780	Fulvinervin B 	C25H22O4	386.151809	NA	MeJP	NA	NA
+MJ051781	Tetrapterol B 	C25H22O4	386.151809	NA	MeJP	NA	NA
+7689	ACE inhibitor from ovalbumin	NIFYCP	386.15495	MH2+	Inhouse_peptide	NA	peptide
+PJ000754	GSSH 	C14H22N6O7	386.155	NA	PeJP	NA	NA
+MJ051782	(2,5-Dihydroxyphenyl)acetic acid; 5-Butyl ether, 2-O-?-D-glucopyranoside 	C18H26O9	386.157682	NA	MeJP	NA	NA
+MJ051783	2-O-?-L-Rhamnopyranosyl-L-arabinose; ?-Pyranose-form, Benzyl glycoside 	C18H26O9	386.157682	NA	MeJP	NA	NA
+MJ051784	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-?-D-glucopyranoside 	C18H26O9	386.157682	NA	MeJP	NA	NA
+MJ051785	5,6,7,8-Tetrahydroxy-2,6-dodecadienoic acid; 6,7,8-Tri-Ac 	C18H26O9	386.157682	NA	MeJP	NA	NA
+MJ051786	6-(1-Methylpropyl)-1,2,4-benzenetriol, 1-O-(6-Acetyl-?-D-glucopyranoside) 	C18H26O9	386.157682	NA	MeJP	NA	NA
+MJ051787	Macrosphelide A; 13,14-Dihydro, 13-ethoxy, 15-ketone 	C18H26O9	386.157682	NA	MeJP	NA	NA
+MJ051788	Sinapyl alcohol, 1-Me ether, 4'-O-?-D-glucopyranoside 	C18H26O9	386.157682	NA	MeJP	NA	NA
+PJ000755	APPC 	C16H26N4O5S	386.1624	NA	PeJP	NA	NA
+C11093	Cyhexatin	C18H34OSn	386.1632	NA	KEGG	NA	NA
+MJ051789	N-?-Alanyldopamine; 3-O-?-D-Glucopyranoside 	C17H26N2O8	386.168915	NA	MeJP	NA	NA
+MJ051790	N-?-Alanyldopamine; 4-O-?-D-Glucopyranoside 	C17H26N2O8	386.168915	NA	MeJP	NA	NA
+C10547	Burseran	C22H26O6	386.1729	NA	KEGG	NA	NA
+C10561	(+)-Eudesmin	C22H26O6	386.1729	NA	KEGG	NA	NA
+FL6DDANI0001	3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol	C22H26O6	386.17293	76265-09-3	knapsack	NA	NA
+FL6DDANI0002	4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol	C22H26O6	386.17293	72357-34-7	knapsack	NA	NA
+MJ051791	1,2-Bis(3,4,5-trihydroxyphenyl)propane; 4''-(2-Propenyl), 3'',5',5''-tri-Me, 3',4'-methylene ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051792	10-(3,4-Dihydroxyphenyl)-3,5,7-decatrien-1-ol, Tri-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051793	2,3-Bis(3,4-dimethoxybenzyl)-4,5-dihydro-2(3H)-furanone 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051794	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)propane; 3,4-Methylene, 3',5,5'-tri-Me ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051795	3',4,4',5,9-Pentahydroxy-9,9'-epoxy-2,7'-cyclolignan, 3',5-Di-Me, 9-Et ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051796	3,20-Epoxy-6,15-dihydroxy-5,16-kauradiene-1,7-dione, 15-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051797	3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,4,5-Tri-Me, 3',4'-methylene ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051798	3,4,4',5,7-Pentahydroxy-8-prenylflavan, 3,5-Di-Me ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051799	3,4,4',5,7-Pentahydroxy-8-prenylflavan, 4,5-Di-Me ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051800	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051801	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Tigloyl, 3-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051802	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7-O-(5-Acetoxy-3,7-dimethyl-2,6-octadienyl), O8-Me 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051803	?-Schizandrin, O3'-De-Me 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051804	Antibiotic PI 220 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051805	Burseran 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051806	Coleon Z 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051807	Crotoxide A; 11,18-Didehydro, 12?-hydroxy, 1-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051808	Debenzoyltashironin; 9-Benzoyl 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051809	Eriocalyxin A; 16,17-Didehydro, 15?-alcohol, 15-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051810	Eudesmin 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051811	Eusiderin A 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051812	Furaquinocin H; 1',6'-Dideoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051813	Furaquinocin H; 5',6'-Dideoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051814	Gelomulide C; 1,2-Didehydro, 6?-acetoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051815	Gibbestatin B 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051816	Gingerenone A; 5''-Methoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051817	Gingerenone A; 5'-Methoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051818	Icetexone; 19-Deoxo, 19R-acetoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051819	Kadsuranin; O3-De-Me 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051820	Maglifloenone 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051821	Matairesinol, Di-Me ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051822	Mirandin A 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051823	Mortonin A 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051824	Myricanol; Ketone, 12-hydroxy, 5-Me ether 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051825	Pachypostaudin B 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051826	Pinnatin C; 2-Ac 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051827	Piperulin C 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051828	Pitholide A; 7'-Deoxy 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051829	Rubschisandrin, 3'-O-De-Me 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051830	Rubschisandrin, 5'-O-De-Me 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051831	Rubschisandrin, 3'-O-De-Me 	C22H26O6	386.172938	NA	MeJP	NA	NA
+MJ051832	Triandrin A 	C22H26O6	386.172938	NA	MeJP	NA	NA
+PJ000756	CKH 	C15H26N6O4S	386.1736	NA	PeJP	NA	NA
+MJ051833	Olamufloxacin 	C20H23FN4O3	386.175418	NA	MeJP	NA	NA
+PJ000757	AAPE 	C16H26N4O7	386.1802	NA	PeJP	NA	NA
+MJ051834	14-Bromo-1-obtusene-3,11-diol 	C20H35BrO2	386.182043	NA	MeJP	NA	NA
+MJ051835	3-Bromo-13,15-isocopalanediol 	C20H35BrO2	386.182043	NA	MeJP	NA	NA
+MJ051836	3-Bromo-13-labdene-8,15-diol 	C20H35BrO2	386.182043	NA	MeJP	NA	NA
+MJ051837	3-Bromo-14-labdene-8,13-diol 	C20H35BrO2	386.182043	NA	MeJP	NA	NA
+MJ051838	6-Bromo-5,9-eicosadienoic acid 	C20H35BrO2	386.182043	NA	MeJP	NA	NA
+3513	ACE inhibitor (as1-CN 142-147)	LAYFYP	386.1835	MH2+	Inhouse_peptide	NA	peptide
+MJ051839	Compactinervine; 11-Methoxy 	C21H26N2O5	386.184171	NA	MeJP	NA	NA
+MJ051840	Compactinervine; 12-Methoxy 	C21H26N2O5	386.184171	NA	MeJP	NA	NA
+MJ051841	Echitamidine, 12-Methoxy, Nb-oxide 	C21H26N2O5	386.184171	NA	MeJP	NA	NA
+MJ051842	Echitamine; N4-De-Me, N-oxide 	C21H26N2O5	386.184171	NA	MeJP	NA	NA
+MJ051843	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(3-Chloro-2-hydroxy-2-methylbutanoyl) 	C20H31ClO5	386.186001	NA	MeJP	NA	NA
+PJ000758	PDR 	C15H26N6O6	386.1914	NA	PeJP	NA	NA
+MJ051844	3,4-Dihydroxy-5,7-megastigmadien-9-one; 3-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051845	3,4-Dihydroxy-5,7-megastigmadien-9-one; 4-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051846	3,5-Dihydroxy-6,7-megastigmadien-9-one; (S)axial Diastereomer, 5-O-?-D-glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051847	3,5-Dihydroxy-6,7-megastigmadien-9-one; 3-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051848	3,5-Dihydroxy-6,7-megastigmadien-9-one; 5-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051849	3-Hydroxy-5,7-megastigmadien-9-one, 7?,8?-Epoxide, 3-O-?-D-glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051850	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051851	9,11-Dihydroxy-4,7-megastigmadien-3-one; 11-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051852	9,13-Dihydroxy-4,7-megastigmadien-3-one, 9-O-?-D-Glucopyranoside 	C19H30O8	386.194067	NA	MeJP	NA	NA
+MJ051853	Medibazine 	C25H26N2O2	386.199428	NA	MeJP	NA	NA
+MJ051854	Sufentanil 	C22H30N2O2S	386.202798	NA	MeJP	NA	NA
+C08022	Sufentanil	C22H30N2O2S	386.2028	NA	KEGG	NA	NA
+C08023	Transferred to D00845	C22H30N2O2S	386.2028	NA	KEGG	NA	NA
+3564	NA	LSPA	386.205	ACE inhibitor	Inhouse_peptide	NA	peptide
+C09927	Euglobal-Ia1	C23H30O5	386.2093	NA	KEGG	NA	NA
+C09966	Robustadial A	C23H30O5	386.2093	NA	KEGG	NA	NA
+C14651	16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate	C23H30O5	386.2093	NA	KEGG	NA	NA
+C15185	21-Acetyloxy-17-hydroxypregna-1,4-diene-3,20-dione	C23H30O5	386.2093	NA	KEGG	NA	NA
+MJ051855	1-Hydroxy-2,6-humuladien-15-al; 4-Hydroxy-3-methoxybenzoyl 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051856	2,4-Dihydroxy-6-pentylbenzoic acid; 3-Hydroxy-5-pentylphenyl ester 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051857	3,14,19-Trihydroxycarda-5,20(22)-dienolide, 19-Aldehyde 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051858	3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051859	3,5-Dihydroxy-19-oxocarda-14,20(22)-dienolide 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051860	4,6-Dihydroxy-7-daucen-9-one, 6-(4-Methoxybenzoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051861	4,6-Dihydroxy-8-daucen-10-one, 6-(4-Methoxybenzoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051862	4,6-Dihydroxy-8-daucen-2-one, 6-(4-Methoxybenzoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051863	4-Scirpenol, O-(6R,7R-Epoxy-2Z,4E-octadienoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051864	5,10-Dihydroxy-8-daucen-2-one, 10-(4-Methoxybenzoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051865	5-(3,7-Dimethyl-2,6-octadienyl)-2-(1-hydroxyisopropyl)-4,6-benzofurandiol, 4-Ac 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051866	6,9-Dihydroxy-7-drimene-11,12-dial, 6-(2,4,6-Octatrienoyl)(all-E-) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051867	7,12-Dihydroxy-5,8,12-abietatriene-11,14-dione; 7?-form, 12-Me ether, 7-Ac 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051868	7-Protoilludene-5,14-diol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051869	7-[3-Hydroxy-2-(3-hydroxy-5-phenyl-1-pentenyl)-5-oxocyclopentyl]-5-heptenoic acid 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051870	8,10-Dihydroxy-3-longipinen-5-one, 8,10-Bis-O-(2-methylpropenoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051871	8-Daucene-4,6-diol, 6-(3,4-Methylenedioxybenzoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051872	Ankaflavin 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051873	Aspergillodiol; 21-Aldehyde, 12-Ac 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051874	Asperugin; O-De-Me 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051875	Bisabosqual A; 15-Alcohol 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051876	Cochleamycin B; O-De-Ac, O-(2-methylpropanoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051877	Euglobal G1 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051878	Euglobal G2 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051879	Euglobal G3 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051880	Euglobal G4 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051881	Euglobal G5 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051882	Euglobal G8 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051883	Euglobal G9 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051884	Euglobal IIb 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051885	Euglobal IIc 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051886	Euglobal Ia1 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051887	Euglobal Ib 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051888	Euglobal Ic 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051889	Euglobal T1 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051890	Ferruol A 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051891	Furanoeremophil-1(10)-ene-3,6-diol, 6-(3-Methyl-2-pentenoyl), 3-Ac 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051892	Furanoeremophilane-3,6-diol, Bis(2-methylpropenoyl) 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051893	Ginamallene 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051894	Memnoconol; 11'-Deoxy, 10'-ketone 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051895	Robustadial A 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051896	Stachybotrolide 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051897	Stachybotrydial 	C23H30O5	386.209324	NA	MeJP	NA	NA
+MJ051898	?-Nimolactone 	C23H30O5	386.209324	NA	MeJP	NA	NA
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR508	Acide Arachidonique F3	NA	386.213125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR508	Acide Arachidonique F3	NA	386.213125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR508	Acide Arachidonique F3	NA	386.213125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR508	Acide Arachidonique F3	NA	386.213125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR508	Arachidonic acid F3	F3	386.213125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ000759	GPTL 	C17H30N4O6	386.2166	NA	PeJP	NA	NA
+MJ051899	Anomaline 	C22H30N2O4	386.220557	NA	MeJP	NA	NA
+MJ051900	Aspidolimidinol 	C22H30N2O4	386.220557	NA	MeJP	NA	NA
+MJ051901	Limapodine; 11-Methoxy 	C22H30N2O4	386.220557	NA	MeJP	NA	NA
+MJ051902	Reserpenediol 	C22H30N2O4	386.220557	NA	MeJP	NA	NA
+MJ051903	Dalvastatin 	C24H31FO3	386.225723	NA	MeJP	NA	NA
+MJ051904	15-Isopimarene-1,3,6,8,11,12,19-heptol 	C20H34O7	386.230453	NA	MeJP	NA	NA
+MJ051905	2,3,5,6,10,14,16-Grayanotoxaneheptol 	C20H34O7	386.230453	NA	MeJP	NA	NA
+C11990	Oleandolide	C20H34O7	386.2305	NA	KEGG	NA	NA
+MJ051906	2a-[4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-2a,3,4,5-tetrahydrobenz[cd]indol-2(1H)-one 	C26H30N2O	386.235813	NA	MeJP	NA	NA
+MJ051907	3-Hydroxy-3-(trifluoromethyl)pregnan-20-one 	C22H33F3O2	386.243264	NA	MeJP	NA	NA
+HMDB00385	12a-Hydroxy-3-oxocholadienic acid	C24H34O4	386.245697	NA	HMDB2010	NA	NA
+HMDB00385	12a-Hydroxy-3-oxocholadienic acid	C24H34O4	386.2457	http://www.hmdb.ca/metabolites/HMDB00385	HMDB	NA	NA
+C08150	Medroxyprogesterone acetate	C24H34O4	386.2457	NA	KEGG	NA	NA
+C15569	12alpha-Hydroxy-3-oxochola-4,6-dienoate	C24H34O4	386.2457	NA	KEGG	NA	NA
+C16922	Bufalin	C24H34O4	386.2457	NA	KEGG	NA	NA
+HMDB00385	12a-Hydroxy-3-oxocholadienic acid	C24H34O4	386.2457	HMDB00385	PFEM_hmdb_metabocards_official	NA	NA
+MJ051908	15-Hydroxy-16-kauren-19-oic acid, 2-Methylpropenoyl 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051909	16,17-Dihydroxypregn-4-ene-3,20-dione, 16,17-Acetonide 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051910	2-(3,7-Dimethyl-2,6-octadienyl)-6-(3-methyl-2-butenyl)-1,3,5-benzenetriol, 5-Me ether, 1-Ac 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051911	3,14-Dihydroxybufa-20,22-dienolide 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051912	3,4,6-Eudesmanetriol, 6-Cinnamoyl 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051913	3-Hydroxy-9(11),15-kauradien-19-oic acid, 2-Methylpropanoyl 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051914	4,6-Eudesmanediol, 6-(4-Hydroxycinnamoyl) 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051915	6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 16-Butanoyl 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051916	6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 20-Butanoyl 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051917	6,8-Kempadiene-3,14-diol, Di-Ac 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051918	8(13),10-Cycloamphilectadiene-2,14-diol, Di-Ac 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051919	8,11,13-Abietatriene-2,12-diol; 2?-form, Di-Ac 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051920	Atranone D 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051921	Grifolic acid; 4-Me ether 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051922	Hexanorcucurbitacin F; 2-Epimer, 16-deoxy, 16,17-didehydro 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051923	Plakinic acid B 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051924	Plakinic acid D 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051925	Polycerasoidol; Me ether, Me ester 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051926	Polyfibrospongol A 	C24H34O4	386.245709	NA	MeJP	NA	NA
+MJ051927	Proligestone 	C24H34O4	386.245709	NA	MeJP	NA	NA
+PJ000760	AALL 	C18H34N4O5	386.2529	NA	PeJP	NA	NA
+MJ051928	Circinamide 	C18H34N4O5	386.25292	NA	MeJP	NA	NA
+3528	ACE inhibitor	LVR	386.253	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ000761	VLR 	C17H34N6O4	386.2642	NA	PeJP	NA	NA
+C03240	6-Deoxyerythronolide B	C21H38O6	386.2668	NA	KEGG	NA	NA
+MJ051929	6-Deoxyerythronolide B 	C21H38O6	386.266838	NA	MeJP	NA	NA
+MJ051930	1,2,3-Heptadecanetricarboxylic acid; 1'-Me ester 	C21H38O6	386.266838	NA	MeJP	NA	NA
+MJ051931	1,2,3-Heptadecanetricarboxylic acid; 2'-Me ester 	C21H38O6	386.266838	NA	MeJP	NA	NA
+MJ051932	6-Nonyl-2-cyclohexen-1-ol, O-?-D-Glucopyranoside 	C21H38O6	386.266838	NA	MeJP	NA	NA
+MJ051933	Dolabriferol 	C21H38O6	386.266838	NA	MeJP	NA	NA
+MJ051934	Erythronolide A; 6,12-Dideoxy 	C21H38O6	386.266838	NA	MeJP	NA	NA
+MetaCyc03316	6-deoxyerythronolide b []	C21H38O6	386.266839	NA	metacyc	NA	NA
+MJ051935	Lobinaline 	C27H34N2	386.272199	NA	MeJP	NA	NA
+MJ051936	N-(3,3-Diphenylpropyl)-N'-(1-methyl-2-phenylethyl)-1,3-propanediamine 	C27H34N2	386.272199	NA	MeJP	NA	NA
+MJ051937	12-Hydroxy-16-scalaren-24,25-olide; 12?-form 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051938	12-Hydroxy-16-scalarene-24,25-dial 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051939	12-Hydroxy-17-scalaren-25,24-olide; 12?-form 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051940	15-Beyerene-14,19-diol, 14-Tigloyl 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051941	16-Kauren-19-ol; ent-form, 16?,17-Epoxide, 19-angeloyl 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051942	16-Kauren-3-ol, 16?,17-Epoxide, 3-angeloyl 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051943	16-Kaurene-3,15-diol, 15-Angeloyl 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051944	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(4-Methylpentanoyl) 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051945	24,25-Epoxy-16-scalarene-12,25-diol, 12-Ketone 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051946	24,25-Epoxy-17(24),18(25)-scalaradiene-12,16-diol 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051947	3(20),7,18-Ophiobolatrien-24-ol, 24-Carboxylic acid, 7?,8?-epoxide 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051948	3-Hydroxy-4,4,14-trimethylpregna-7,9(11)-diene-20-carboxylic acid 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051949	4,4,14,20-Tetramethylpregn-8-ene-3,22-diol, 3-Ketone, 22-carboxylic acid 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051950	4-Oxo-19-phenyl-5-nonadecenoic acid 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051951	8-Hydroxy-3(20),7(21),18-ophiobolatrien-24-oic acid; 8?-form 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051952	Alborosin 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051953	Dexanabinol 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051954	Furoscalarol; O-De-Ac 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051955	Hamiltonin E 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051956	Hyrtiosal 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051957	Idiadione 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051958	Luffariellolide 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051959	Ophiobolin C 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051960	Ophiobolin H 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051961	Palauolide 	C25H38O3	386.282095	NA	MeJP	NA	NA
+MJ051962	Viminadione A 	C25H38O3	386.282095	NA	MeJP	NA	NA
+C14663	Testosterone isocaproate	C25H38O3	386.2821	NA	KEGG	NA	NA
+MJ051963	Laurolinium(1+); Acetate 	C24H38N2O2	386.293328	NA	MeJP	NA	NA
+MJ051964	Pregn-5-ene-3,20-diamine, N3-Ac, N20-formyl 	C24H38N2O2	386.293328	NA	MeJP	NA	NA
+MJ051965	Bourgeanic acid 	C22H42O5	386.303224	NA	MeJP	NA	NA
+MJ051966	1-Phenyl-1,3-eicosanedione 	C26H42O2	386.31848	NA	MeJP	NA	NA
+MJ051967	12-Hydroxy-20,24-dimethyl-25-nor-16-scalaren-24-one; 12?-form 	C26H42O2	386.31848	NA	MeJP	NA	NA
+MJ051968	17-Hydroxy-17-methylandrost-4-en-3-one, 3-Hexyl ether 	C26H42O2	386.31848	NA	MeJP	NA	NA
+MJ051969	24-Norcholesta-7,22-diene-3,6-diol 	C26H42O2	386.31848	NA	MeJP	NA	NA
+C10797	Cyclobuxine D	C25H42N2O	386.3297	NA	KEGG	NA	NA
+MJ051970	Cyclobuxargentine G 	C25H42N2O	386.329713	NA	MeJP	NA	NA
+MJ051971	Cyclobuxine I; N3,N20-Di-Me 	C25H42N2O	386.329713	NA	MeJP	NA	NA
+MJ051972	Pregn-5-ene-3,20-diamine, N20,N20-Di-Me, N3-Ac 	C25H42N2O	386.329713	NA	MeJP	NA	NA
+MJ051973	Pregna-14,16-diene-3,20-diamine, 14,15-Dihydro, N3,N3,N20-tri-Me, N20-formyl 	C25H42N2O	386.329713	NA	MeJP	NA	NA
+HMDB11147	DG(18:0e/2:0/0:0)	C23H46O4	386.3396	NA	HMDB2010	NA	NA
+HMDB11542	MG(0:0/20:0/0:0)	C23H46O4	386.3396	NA	HMDB2010	NA	NA
+HMDB11572	MG(20:0/0:0/0:0)	C23H46O4	386.3396	NA	HMDB2010	NA	NA
+MJ051974	Antibiotic AKD 2; Antibiotic AKD 2C 	C23H46O4	386.339609	NA	MeJP	NA	NA
+HMDB00067	Cholesterol	C27H46O	386.354858	NA	HMDB2010	NA	NA
+HMDB00871	5alpha-Cholestanone	C27H46O	386.354858	NA	HMDB2010	NA	NA
+HMDB01170	Lathosterol	C27H46O	386.354858	NA	HMDB2010	NA	NA
+HMDB06841	5a-Cholest-8-en-3b-ol	C27H46O	386.354858	NA	HMDB2010	NA	NA
+HMDB11182	5beta-Cholestanone	C27H46O	386.354858	NA	HMDB2010	NA	NA
+HMDB00067	Cholesterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00067	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00067	Cholesterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00067	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01170	Lathosterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB01170	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00067	Cholesterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00067	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00067	Cholesterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00067	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00067	Cholesterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00067	HMDB	NA	NA
+HMDB00871	Coprostanone	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00871	HMDB	NA	NA
+HMDB01170	Lathosterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB01170	HMDB	NA	NA
+HMDB06541	Zymostenol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB06541	HMDB	NA	NA
+HMDB06841	5alpha-Cholest-8-en-3beta-ol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB06841	HMDB	NA	NA
+HMDB00067	Cholesterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB00067	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01170	Lathosterol	C27H46O	386.35486	http://www.hmdb.ca/metabolites/HMDB01170	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00067	Cholesterol	C27H46O	386.35486	HMDB00067	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00871	Coprostanone	C27H46O	386.35486	HMDB00871	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01170	Lathosterol	C27H46O	386.35486	HMDB01170	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06541	Zymostenol	C27H46O	386.35486	HMDB06541	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06841	5alpha-Cholest-8-en-3beta-ol	C27H46O	386.35486	HMDB06841	PFEM_hmdb_metabocards_official	NA	NA
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	HMDB	NA	NA
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	Inhouse_PFEM	NA	NA
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR101	Cholesterol	C27H46O	386.354865	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ051975	19-Norergost-22-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051976	19-Norergost-5-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051977	22,29,30-Trinor-21-hopanol; 21?-form 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051978	27-Norergost-22-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051979	3-Hydroxymethyl-A-norcholest-22-ene 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051980	3-Hydroxymethyl-A-norcholestane, 22,23-Didehydro 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051981	A,27-Dinorergost-22-ene-3-methanol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051982	Cholest-15-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051983	Cholest-22-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051984	Cholest-5-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051985	Cholest-7-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051986	Cholest-8(14)-en-3-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051987	Cholestan-3-one 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051988	Pterocarpol A 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051989	Pterocarpol B 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051990	5,6beta-Epoxy-5beta-cholestane 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051991	5alpha-Cholest-8-en-3beta-ol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MJ051992	Cholesterol 	C27H46O	386.354866	NA	MeJP	NA	NA
+MetaCyc03317	cholesterol []	C27H46O1	386.354866	57-88-5	metacyc	NA	NA
+MetaCyc03318	5&beta;-cholestan-3-one [beta-cholestan-3-one;coprostan-3-one;]	C27H46O1	386.354866	601-53-6	metacyc	NA	NA
+MetaCyc03319	5&alpha;-cholestan-3-one []	C27H46O1	386.354866	566-88-1	metacyc	NA	NA
+MetaCyc03320	lathosterol [5&alpha;-Cholest-8-en-3&beta;-ol;lathosterol;5&alpha;-cholest-7-en-3&beta;-ol;&alpha;-cholest-7-en-3&beta;-ol;cholesta-7-enol;&Delta;7-cholesten-3-&beta;-ol;&gamma;-cholesterol;]	C27H46O1	386.354866	80-99-9	metacyc	NA	NA
+EUR101	Cholesterol	C27H46O	386.3549	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR101	Cholesterol	C27H46O	386.3549	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR101	Cholesterol	C27H46O	386.3549	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR101	Cholesterol	C27H46O	386.3549	Wishlist	Inhousejuil11	NA	NA
+C00187	Cholesterol	C27H46O	386.3549	NA	KEGG	NA	NA
+C01189	5alpha-Cholest-7-en-3beta-ol	C27H46O	386.3549	NA	KEGG	NA	NA
+C01190	Glucosylceramide	C25H46NO8R	386.3549	NA	KEGG	NA	NA
+C01191	Dolichyl D-xylosyl phosphate	C25H45O8P	386.3549	NA	KEGG	NA	NA
+C03091	5beta-Cholestan-3-one	C27H46O	386.3549	NA	KEGG	NA	NA
+C03238	5alpha-Cholestan-3-one	C27H46O	386.3549	NA	KEGG	NA	NA
+C03845	5alpha-Cholest-8-en-3beta-ol	C27H46O	386.3549	NA	KEGG	NA	NA
+C05417	5,6beta-Epoxy-5beta-cholestane	C27H46O	386.3549	NA	KEGG	NA	NA
+C05423	5,6alpha-Epoxy-5alpha-cholestane	C27H46O	386.3549	NA	KEGG	NA	NA
+C15337	3beta-Hydroxycholest-4-ene	C27H46O	386.3549	NA	KEGG	NA	NA
+MJ051993	Cycloprotobuxine I; N20,N20-Di-Me 	C26H46N2	386.366099	NA	MeJP	NA	NA
+MJ051994	Cycloprotobuxine I; N3,N20-Di-Me 	C26H46N2	386.366099	NA	MeJP	NA	NA
+MJ051995	Ergostane 	C28H50	386.391251	NA	MeJP	NA	NA
+3716	NA	YPFGFSG	386.6625	MH2+	Inhouse_peptide	NA	peptide
+3565	NA	SQPQAFP	386.6785	MH2+	Inhouse_peptide	NA	peptide
+19	Troponin C	KMLGQTP	386.7	MH2+	Inhouse_peptide	NA	peptide
+MJ051996	4-Bromophakellin, 5-Bromo 	C11H11Br2N5O	386.933035	NA	MeJP	NA	NA
+MJ051997	Cyclooroidin 	C11H11Br2N5O	386.933035	NA	MeJP	NA	NA
+MJ051998	Dibromoisophakellin 	C11H11Br2N5O	386.933035	NA	MeJP	NA	NA
+MJ051999	Hymenin 	C11H11Br2N5O	386.933035	NA	MeJP	NA	NA
+MJ052000	Oroidin 	C11H11Br2N5O	386.933035	NA	MeJP	NA	NA
+C12675	Benzylhydrochlorothiazide	C14H14ClN3O4S2	387.0114	NA	KEGG	NA	NA
+C12676	Transferred to D01247	C14H14ClN3O4S2	387.0114	NA	KEGG	NA	NA
+MJ052001	Benzylhydrochlorothiazide 	C14H14ClN3O4S2	387.011425	NA	MeJP	NA	NA
+HMDB01245	dCDP	C9H15N3O10P2	387.023254	NA	HMDB2010	NA	NA
+MJ052002	dCDP 	C9H15N3O10P2	387.023266	NA	MeJP	NA	NA
+MetaCyc03321	dCDP [2'-deoxycytidine diphosphate;2'-deoxycytidine-5'-diphosphate;deoxycytidine-diphosphate;]	C9H15N3O10P2	387.023267	800-73-7	metacyc	NA	NA
+HMDB01245	dCDP	C9H15N3O10P2	387.02328	http://www.hmdb.ca/metabolites/HMDB01245	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01245	dCDP	C9H15N3O10P2	387.02328	http://www.hmdb.ca/metabolites/HMDB01245	HMDB	NA	NA
+HMDB01245	dCDP	C9H15N3O10P2	387.02328	http://www.hmdb.ca/metabolites/HMDB01245	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01245	dCDP	C9H15N3O10P2	387.02328	HMDB01245	PFEM_hmdb_metabocards_official	NA	NA
+C00705	dCDP	C9H15N3O10P2	387.0233	NA	KEGG	NA	NA
+C00706	Amine	NH2R	387.0233	NA	KEGG	NA	NA
+C00707	Xylan	NH2R	387.0233	NA	KEGG	NA	NA
+C10957	Thifensulfuron methyl	C12H13N5O6S2	387.0307	NA	KEGG	NA	NA
+MJ052003	S-Sulfoglutathione 	C10H17N3O9S2	387.04062	NA	MeJP	NA	NA
+MJ052004	Naroparcil 	C19H17NO4S2	387.059899	NA	MeJP	NA	NA
+MJ052005	1-Pentenyl glucosinolate 	C12H21NO9S2	387.065772	NA	MeJP	NA	NA
+MJ052006	3-Methyl-3-butenyl glucosinolate 	C12H21NO9S2	387.065772	NA	MeJP	NA	NA
+MJ052007	4-Pentenyl glucosinolate 	C12H21NO9S2	387.065772	NA	MeJP	NA	NA
+C08403	Glucobrassicanapin	C12H21NO9S2	387.0658	NA	KEGG	NA	NA
+MJ052008	Nantenine, 3-Chloro, N-de-Me, N-formyl 	C20H18ClNO5	387.08735	NA	MeJP	NA	NA
+PJ000762	CCY 	C15H21N3O5S2	387.0923	NA	PeJP	NA	NA
+MJ052009	Isophomazarin 	C19H17NO8	387.095416	NA	MeJP	NA	NA
+MJ052010	Phomazarine 	C19H17NO8	387.095416	NA	MeJP	NA	NA
+MJ052011	7-Methoxydeacetoxycephalosporin C 	C15H21N3O7S	387.11002	NA	MeJP	NA	NA
+C08053	Lomefloxacin hydrochloride	C17H19F2N3O3	387.1161	NA	KEGG	NA	NA
+MJ052012	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, 8-Methoxy, 7-Me ether, 2-O-?-D-glucopyranoside 	C16H21NO10	387.116545	NA	MeJP	NA	NA
+MJ052013	2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one, N-Methoxy, 7-Me ether. 2-O-?-D-glucopyranoside 	C16H21NO10	387.116545	NA	MeJP	NA	NA
+MetaCyc03322	HMDBOA-Glc [HMDBOA-glucoside;2-(2-hydroxy-7-methoxy-1,4-benzoxazin-3-one)-&beta;-D-glucopyranose;]	C16H21N1O10	387.116546	NA	metacyc	NA	NA
+MetaCyc03323	fructoselysine-6-phosphate [fructoselysine-6-P;]	C12H24N2O10P1	387.116857	NA	metacyc	NA	NA
+PJ000763	CEH 	C14H21N5O6S	387.1213	NA	PeJP	NA	NA
+MJ052014	Camptoneurine 	C22H17N3O4	387.121906	NA	MeJP	NA	NA
+MJ052015	Citracridone III; 1',2'-Dihydro, 1',2'-dihydroxy (trans-), 5-Me ether 	C20H21NO7	387.131802	NA	MeJP	NA	NA
+MJ052016	Macronine, N-De-Me, N-ethoxycarbonyl 	C20H21NO7	387.131802	NA	MeJP	NA	NA
+MJ052017	Senaetnine; 13,19-Didehydro 	C20H21NO7	387.131802	NA	MeJP	NA	NA
+MJ052018	Senaetnine; 7-Epimer, 13,19-didehydro 	C20H21NO7	387.131802	NA	MeJP	NA	NA
+MJ052019	Revospirone 	C18H21N5O3S	387.13651	NA	MeJP	NA	NA
+MJ052020	2,2,4,4,6,6-Hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,3,5-triaza-2,4,6-triphosphorine 	C12H24N9P3	387.136751	NA	MeJP	NA	NA
+MJ052021	Falnidamol 	C18H19ClFN7	387.137449	NA	MeJP	NA	NA
+MJ052022	Cloroperone 	C22H23ClFNO2	387.140134	NA	MeJP	NA	NA
+MJ052023	Jaconine 	C18H26ClNO6	387.144865	NA	MeJP	NA	NA
+MJ052024	Sceleratine; 18-Deoxy, 18-chloro 	C18H26ClNO6	387.144865	NA	MeJP	NA	NA
+MJ052025	Flurazepam 	C21H23ClFN3O	387.151368	NA	MeJP	NA	NA
+MetaCyc03324	benzyladenine-9-N-glucoside []	C18H21N5O5	387.154269	NA	metacyc	NA	NA
+MetaCyc03325	benzyladenine-7-N-glucoside []	C18H21N5O5	387.154269	NA	metacyc	NA	NA
+PJ000764	TMH 	C15H25N5O5S	387.1577	NA	PeJP	NA	NA
+MJ052026	Cystodytins; Cystodytin A, 1'-Methoxy 	C23H21N3O3	387.158291	NA	MeJP	NA	NA
+MJ052027	Cystodytins; Cystodytin B, 1'-Methoxy 	C23H21N3O3	387.158291	NA	MeJP	NA	NA
+MJ052028	Capaurine, N-Oxide 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052029	Colchibiphenyline, O3-Me 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052030	Collutine; N-Oxide 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052031	Floramultine, N-Oxide 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052032	Hasubanonine, 16-Oxo 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052033	Narcotinediol; ?-Deoxy, O8-de-Me 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052034	Saxoguattine 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052035	Thalicsimidine, O1,N-Di-de-Me, N-Oxide 	C21H25NO6	387.168187	NA	MeJP	NA	NA
+MJ052036	3-Methoxy-2,6-dimethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methoxy]pyridine 	C22H21N5O2	387.169524	NA	MeJP	NA	NA
+MJ052037	6-Chloro-9-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methoxyacridine 	C21H26ClN3O2	387.171354	NA	MeJP	NA	NA
+MJ052038	Nemonapride 	C21H26ClN3O2	387.171354	NA	MeJP	NA	NA
+C12915	Nemonapride	C21H26ClN3O2	387.1714	NA	KEGG	NA	NA
+C12916	Transferred to D01469	C21H26ClN3O2	387.1714	NA	KEGG	NA	NA
+C12917	Transferred to D01470	C21H26ClN3O2	387.1714	NA	KEGG	NA	NA
+PJ000765	GSPQ 	C15H25N5O7	387.1754	NA	PeJP	NA	NA
+MJ052039	Bioxalomycin ?1 	C20H25N3O5	387.17942	NA	MeJP	NA	NA
+MJ052040	Indolactam V, O-Malonyl 	C20H25N3O5	387.17942	NA	MeJP	NA	NA
+MJ052041	Dioncophylline A; 1,2,3,4-Tetradehydro, Me ether 	C25H25NO3	387.183443	NA	MeJP	NA	NA
+MJ052042	Terazosin 	C19H25N5O4	387.190654	NA	MeJP	NA	NA
+C07127	Terazosin	C19H25N5O4	387.1907	NA	KEGG	NA	NA
+MJ052043	Panuramine 	C24H25N3O2	387.194677	NA	MeJP	NA	NA
+3714	ACE inhibitor	LQQ	387.2	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ052044	Hetisan-2,11,13,14-tetrol, 2-Ac 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052045	Hetisan-2,11,13,14-tetrol, Ac 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052046	Septentriosine; O2-Ac 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052047	Stemofoline 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052048	Szovitsidine 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052049	Trimebutine 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052050	Tuberostemoenone 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+MJ052051	Vakhmatine; O13-Ac 	C22H29NO5	387.204573	NA	MeJP	NA	NA
+PJ000766	GSPK 	C16H29N5O6	387.2118	NA	PeJP	NA	NA
+C05011	Hydroxytamoxifen	C26H29NO2	387.2198	NA	KEGG	NA	NA
+C14296	Droloxifene	C26H29NO2	387.2198	NA	KEGG	NA	NA
+C16544	alpha-Hydroxytamoxifen	C26H29NO2	387.2198	NA	KEGG	NA	NA
+C16545	Tamoxifen N-oxide	C26H29NO2	387.2198	NA	KEGG	NA	NA
+MJ052052	Droloxifene 	C26H29NO2	387.219829	NA	MeJP	NA	NA
+PJ000767	VNR 	C15H29N7O5	387.223	NA	PeJP	NA	NA
+MJ052053	Buquineran 	C20H29N5O3	387.227039	NA	MeJP	NA	NA
+MJ052054	Urapidil 	C20H29N5O3	387.227039	NA	MeJP	NA	NA
+MJ052055	Nufenoxole 	C25H29N3O	387.231062	NA	MeJP	NA	NA
+PJ000768	GRR 	C14H29N9O4	387.2343	NA	PeJP	NA	NA
+MJ052056	Yuzurimine; 20-Deacetoxy, O-de-Ac 	C23H33NO4	387.240958	NA	MeJP	NA	NA
+MJ052057	Yuzurine; 13S-Hydroxy, 9,22-didehydro,O-de-Me 	C23H33NO4	387.240958	NA	MeJP	NA	NA
+PJ000769	LQK 	C17H33N5O5	387.2482	NA	PeJP	NA	NA
+7862	peptide from prawn muscle (Penaeus japonicus)	IKK	387.272	ACE inhibitor	Inhouse_peptide	NA	peptide
+C12160	Myxalamid C	C24H37NO3	387.2773	NA	KEGG	NA	NA
+MJ052058	Bishatisine 	C24H37NO3	387.277344	NA	MeJP	NA	NA
+MJ052059	Dictysine; 16,17-O-Isopropylidene 	C24H37NO3	387.277344	NA	MeJP	NA	NA
+MJ052060	Myxalamides; Myxalamide C 	C24H37NO3	387.277344	NA	MeJP	NA	NA
+PJ000770	LKK 	C18H37N5O4	387.2846	NA	PeJP	NA	NA
+MJ052061	Gusperimus 	C17H37N7O3	387.295788	NA	MeJP	NA	NA
+MJ052062	Tresperimus 	C17H37N7O3	387.295788	NA	MeJP	NA	NA
+HMDB13166	2-Hydroxymyristoylcarnitine	C21H41NO5	387.298462	NA	HMDB2010	NA	NA
+MJ052063	Myriocin; 6,7-Dihydro, 4-deoxy 	C21H41NO5	387.298473	NA	MeJP	NA	NA
+MJ052064	Buxus Alkaloid B387 	C25H41NO2	387.313729	NA	MeJP	NA	NA
+MJ052065	Cyclorolfeine 	C25H41NO2	387.313729	NA	MeJP	NA	NA
+MJ052066	3-(12-Heneicosenyl)-1H-pyrrole-2-carboxaldehyde 	C26H45NO	387.350115	NA	MeJP	NA	NA
+MJ052067	5-(6-Heneicosenyl)-1H-pyrrole-2-carboxaldehyde 	C26H45NO	387.350115	NA	MeJP	NA	NA
+MetaCyc03326	25-azacholesterol [24-(dimethylamino)chol-5-en-3&beta;-ol;chol-5-en-3-ol, 24-(dimethylamino)-, (3&beta;)-;]	C26H45N1O1	387.350115	NA	metacyc	NA	NA
+HMDB01028	25-Azacholesterol	C26H45NO	387.350128	NA	HMDB2010	NA	NA
+HMDB01028	25-Azacholesterol	C26H45NO	387.35013	http://www.hmdb.ca/metabolites/HMDB01028	HMDB	NA	NA
+HMDB01028	25-Azacholesterol	C26H45NO	387.35013	HMDB01028	PFEM_hmdb_metabocards_official	NA	NA
+3574	NA	YPFGFF~	387.678	MH2+	Inhouse_peptide	NA	peptide
+3816	ileum contracting peptide	MYPLPR	387.6962	MH2+	Inhouse_peptide	NA	peptide
+2935	myelopeptide	LVVYPW	387.707	MH2+	Inhouse_peptide	NA	peptide
+MJ052068	2,3,6-Tribromo-4,5-dihydroxybenzyl alcohol; 1'-Me ether 	C8H7Br3O3	387.794532	NA	MeJP	NA	NA
+C18100	1,2,3,4,7,8-Hexachlorodibenzodioxin	C12H2Cl6O2	387.8186	NA	KEGG	NA	NA
+C18101	1,2,3,6,7,8-Hexachlorodibenzodioxin	C12H2Cl6O2	387.8186	NA	KEGG	NA	NA
+C18102	1,2,3,7,8,9-Hexachlorodibenzodioxin	C12H2Cl6O2	387.8186	NA	KEGG	NA	NA
+MJ052069	Dibromophakellstatin 	C11H10Br2N4O2	387.91705	NA	MeJP	NA	NA
+MJ052070	Bis(benzyltrithio)methane 	C15H16S6	387.957624	NA	MeJP	NA	NA
+MJ052071	4-Hydroxy-3-nitrosobenzoic acid; Fe complex (2:1) 	C14H8FeN2O8	387.963007	NA	MeJP	NA	NA
+MJ052072	2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; 3,6-Di-Me ether 	C16H11Cl3O5	387.967206	NA	MeJP	NA	NA
+MJ052073	Diploicin; 4-Dechloro 	C16H11Cl3O5	387.967206	NA	MeJP	NA	NA
+MJ052074	Diploicin; 7-Dechloro 	C16H11Cl3O5	387.967206	NA	MeJP	NA	NA
+MJ052075	Diploicin; 9-Dechloro 	C16H11Cl3O5	387.967206	NA	MeJP	NA	NA
+MJ052076	2-(4-Bromo-1,3-hexadienyl)-5-(3-bromo-1,2-propadienyl)hexahydrofuro[3,2-b]furan 	C15H18Br2O2	387.967355	NA	MeJP	NA	NA
+MJ052077	Japonenyne A 	C15H18Br2O2	387.967355	NA	MeJP	NA	NA
+MJ052078	Laurenenyne A 	C15H18Br2O2	387.967355	NA	MeJP	NA	NA
+MJ052079	Didemnoline A; S-Oxide 	C16H13BrN4OS	387.999344	NA	MeJP	NA	NA
+MJ052080	3-Benzyl-6-hydroxymethyl-1,4-dimethyl-3,6-epitetrathia-2,5-piperazinedione 	C14H16N2O3S4	388.004375	NA	MeJP	NA	NA
+MJ052081	Fenfluthrin 	C15H11Cl2F5O2	388.005626	NA	MeJP	NA	NA
+MJ052082	dUDP 	C9H14N2O11P2	388.007282	NA	MeJP	NA	NA
+MetaCyc03327	dUDP [2'-deoxyuridine-5'-diphosphate;deoxyuridine-diphosphate;]	C9H14N2O11P2	388.007282	NA	metacyc	NA	NA
+HMDB01000	dUDP	C9H14N2O11P2	388.00729	http://www.hmdb.ca/metabolites/HMDB01000	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01000	dUDP	C9H14N2O11P2	388.00729	http://www.hmdb.ca/metabolites/HMDB01000	HMDB	NA	NA
+HMDB01000	dUDP	C9H14N2O11P2	388.00729	http://www.hmdb.ca/metabolites/HMDB01000	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01000	dUDP	C9H14N2O11P2	388.00729	HMDB01000	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01000	dUDP	C9H14N2O11P2	388.007294	NA	HMDB2010	NA	NA
+C01346	dUDP	C9H14N2O11P2	388.0073	NA	KEGG	NA	NA
+MJ052083	Dysamide A; 3',3''-Didechloro, 1',3-didehydro(E-) 	C14H20Cl4N2O2	388.027888	NA	MeJP	NA	NA
+MJ052084	Dysamide A; 3',3''-Didechloro, 1',3-didehydro(Z-) 	C14H20Cl4N2O2	388.027888	NA	MeJP	NA	NA
+MJ052085	Dicresulene 	C15H16O8S2	388.028658	NA	MeJP	NA	NA
+HMDB06813	1-Phosphatidyl-D-myo-inositol	C11H17O13P	388.04068	http://www.hmdb.ca/metabolites/HMDB06813	HMDB	NA	NA
+HMDB06813	1-Phosphatidyl-D-myo-inositol	C11H17O13P	388.04068	HMDB06813	PFEM_hmdb_metabocards_official	NA	NA
+MJ052086	Dothistromin; 3-Hydroxy 	C18H12O10	388.043046	NA	MeJP	NA	NA
+MJ052087	Eckol; 7-Hydroxy 	C18H12O10	388.043046	NA	MeJP	NA	NA
+MJ052088	Erimopyrone 	C18H12O10	388.043046	NA	MeJP	NA	NA
+MJ052089	Hydnuferruginin 	C18H12O10	388.043046	NA	MeJP	NA	NA
+MJ052090	Jamesopyrone 	C18H12O10	388.043046	NA	MeJP	NA	NA
+MJ052091	Salazinic acid 	C18H12O10	388.043046	NA	MeJP	NA	NA
+MJ052092	2-Bromo-3-chloro-5-hydroxy-7(14),9-chamigradien-8-one; Ac 	C17H22BrClO3	388.044084	NA	MeJP	NA	NA
+MJ052093	Aplysinopsin; 6-Bromo, N1-propanoyl 	C17H17BrN4O2	388.053488	NA	MeJP	NA	NA
+MJ052094	Nostoclide I 	C21H18Cl2O3	388.063299	NA	MeJP	NA	NA
+MJ052095	Chelonin B 	C19H21BrN2O2	388.07864	NA	MeJP	NA	NA
+FL5FALNS0018	5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone 5'-acetate	C19H16O9	388.07943	113139-94-9	knapsack	NA	NA
+FL5FFCNS0027	Gossypetin 7,4'-dimethyl ether 8-acetate	C19H16O9	388.07943	69306-87-2	knapsack	NA	NA
+FL5FGCNS0022	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone	C19H16O9	388.07943	153506-99-1	knapsack	NA	NA
+MJ052096	1,6,8-Trihydroxy-3-methylanthraquinone-2-carboxylic acid; 2,3-Dihydroxypropyl ester(S-) 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052097	2',3,4',5,5',7-Hexahydroxyflavone; 3,4'-Di-Me ether, 5'-Ac 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052098	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 6,7,8-tri-Me ether 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052099	3,3',4',5,7,8-Hexahydroxyflavone; 4',7-Di-Me ether, 8-O-Ac 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052100	Antibiotic WP 3688-3 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052101	Chrysoquinone A 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052102	Flavellagic acid; Penta-Me ether 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052103	Hypoconstictic acid 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052104	Psoromic acid; 2-Methoxy 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052105	Stictic acid; 1''-Alcohol 	C19H16O9	388.079432	NA	MeJP	NA	NA
+MJ052106	5-[[2-(2-Naphthalenylmethyl)-5-benzoxazolyl]methyl]-2,4-thiazolidinedione 	C22H16N2O3S	388.088163	NA	MeJP	NA	NA
+MJ052107	Betanidin 	C18H16N2O8	388.090665	NA	MeJP	NA	NA
+HMDB12220	Dopaxanthin quinone	C18H16N2O8	388.090668	NA	HMDB2010	NA	NA
+C08539	Betanidin	C18H16N2O8	388.0907	NA	KEGG	NA	NA
+C17753	Dopaxanthin quinone	C18H16N2O8	388.0907	NA	KEGG	NA	NA
+MJ052108	2,2'-Methylenebis[8-hydroxy-3-methyl-1,4-naphthalenedione] 	C23H16O6	388.094688	NA	MeJP	NA	NA
+MJ052109	4,11-Dihydroxy-5-methoxy-2,9-dimethyldinaphtho[1,2-b:2',3'-d]furan-7,12-quinone 	C23H16O6	388.094688	NA	MeJP	NA	NA
+MJ052110	5,6-Dihydro-1,7,9,11-tetrahydroxy-3-methylbenzo[a]naphthacene-8,13-dione 	C23H16O6	388.094688	NA	MeJP	NA	NA
+MJ052111	Ixoside 	C16H20O11	388.100561	NA	MeJP	NA	NA
+MJ052112	myo-Inosose 2; Penta-Ac 	C16H20O11	388.100561	NA	MeJP	NA	NA
+MJ052113	Zopiclone 	C17H17ClN6O3	388.105066	NA	MeJP	NA	NA
+FL2FACNP0007	Sigmoidin G	C20H20O8	388.11581	151590-50-0	knapsack	NA	NA
+FL2FEGNS0001	Agecorynin A	C20H20O8	388.11581	77053-46-4	knapsack	NA	NA
+FL3FALNS0006	5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone;5-Hydroxy-7-methoxy-2-(2,3,4,5-tetramethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O8	388.11581	132923-24-1	knapsack	NA	NA
+FL3FEGNS0009	Umuhengerin;5-Hydroxy-6,7,3',4',5'-pentamethoxyflavone;5-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O8	388.11581	29215-55-2	knapsack	NA	NA
+FL3FEGNS0014	Ageconyflavone C;4'-Hydroxy-5,6,7,3',5'-pentamethoxyflavone;2-(4-Hydroxy-3,5-dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	93124-90-4	knapsack	NA	NA
+FL3FELNS0004	Agehoustin G	C20H20O8	388.11581	96410-44-5	knapsack	NA	NA
+FL3FFLNS0003	Serpyllin;5-Hydroxy-2',3',4',7,8-pentamethoxyflavone;5-Hydroxy-7,8-dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O8	388.11581	21315-67-3	knapsack	NA	NA
+FL3FGCNS0011	3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone	C20H20O8	388.11581	112448-39-2	knapsack	NA	NA
+FL3FGCNS0012	Demethylnobiletin;5-Hydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	2174-59-6	knapsack	NA	NA
+FL5F3LNS0001	2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone;2-(2-Hydroxy-4,5-dimethoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	178275-88-2	knapsack	NA	NA
+FL5FALNS0014	5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone	C20H20O8	388.11581	129554-05-8	knapsack	NA	NA
+FL5FALNS0015	2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone	C20H20O8	388.11581	72947-61-6	knapsack	NA	NA
+FL5FALNS0016	5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone	C20H20O8	388.11581	72947-63-8	knapsack	NA	NA
+FL5FDKNS0004	Combretol;5-Hydroxy-3,3',4',5',7-pentamethoxyflavone;5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O8	388.11581	5084-19-5	knapsack	NA	NA
+FL5FDKNS0007	3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone;3-Hydroxy-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C20H20O8	388.11581	190323-49-0	knapsack	NA	NA
+FL5FE8NS0001	Grantiodin	C20H20O8	388.11581	134779-24-1	knapsack	NA	NA
+FL5FECNM0003	8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether	C20H20O8	388.11581	140899-10-1	knapsack	NA	NA
+FL5FECNM0004	8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one	C20H20O8	388.11581	151649-37-5	knapsack	NA	NA
+FL5FECNS0034	Quercetagetin 3,5,6,7,3'-pentamethyl ether;4'-Hydroxy-3,5,6,7,3'-pentamethoxyflavone;2-(4-Hydroxy-3-methoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	910-43-0	knapsack	NA	NA
+FL5FECNS0035	Quercetagetin 3,5,6,3',4'-pentamethyl ether;7-Hydroxy-3,5,6,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-3,5,6-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	57393-68-7	knapsack	NA	NA
+FL5FECNS0036	Artemetin;Quercetagetin 3,6,7,3',4'-pentamethyl ether;3,6,7,3',4'-Pentamethylquercetagetin;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	479-90-3	knapsack	NA	NA
+FL5FECNS0038	Quercetagetin 5,6,7,3',4'-pentamethyl ether;Marionol;3',4',5,6,7-Pentamethylquercetagetin;2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	65602-55-3	knapsack	NA	NA
+FL5FFCNS0022	Gossypetin 3,5,7,8,3'-pentamethyl ether	C20H20O8	388.11581	7741-44-8	knapsack	NA	NA
+FL5FFCNS0023	Gossypetin 3,5,8,3',4'-pentamethyl ether	C20H20O8	388.11581	33554-63-1	knapsack	NA	NA
+FL5FFCNS0024	Gossypetin 3,7,8,3',4'-pentamethyl ether;5-Hydroxy-3,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O8	388.11581	14965-12-9	knapsack	NA	NA
+FL5FFLNS0003	5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone	C20H20O8	388.11581	71787-04-7	knapsack	NA	NA
+FL5FG9NS0007	Emmaosunin	C20H20O8	388.11581	53950-57-5	knapsack	NA	NA
+FL5FGANS0008	5-Hydroxyauranetin;5-Hydroxy-3,6,7,8,4'-pentamethoxyflavone;5-Hydroxy-3,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-Benzopyran-4-one	C20H20O8	388.11581	50439-46-8	knapsack	NA	NA
+MJ052114	2',3',4',5,5',7-Hexahydroxyflavone; 2',3',4',5',7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052115	2',3',4',5,7,8-Hexahydroxyflavone; 2',3',4',7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052116	2',3,4',5',7,8-Hexahydroxyflavone; 3,4',5',7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052117	2',3,4',5,5',7-Hexahydroxyflavone; 2',3,4',5,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052118	2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5,5',7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052119	2',3,4',5,7,8-Hexahydroxyflavone; 2',3,4',7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052120	2',3,5,5',6,7-Hexahydroxyflavone; 2',3,5',6,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052121	2',3,5,5',6,7-Hexahydroxyflavone; 2',3,5,5',7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052122	2',4',5,5',6,7-Hexahydroxyflavone; 2',4',5',6,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052123	2',5,6,6',7,8-Hexahydroxyflavone; 2',6,6',7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052124	2,4,6-Phenanthrenetriol; 2-O-?-D-Glucopyranoside 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052125	2-Carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-1H-indene-1-acetic acid, Di-Me ester 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052126	3',4',5,5',6,7-Hexahydroxyflavanone, 3',5,6,7-Tetra-Me, 4',5'-methylene ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052127	3',4',5,5',6,7-Hexahydroxyflavone; 3',4',5',6,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052128	3',4',5,5',6,7-Hexahydroxyflavone; 3',5,5',6,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052129	3',4',5,6,7,8-Hexahydroxyflavone; 3',4',5,6,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052130	3',4',5,6,7,8-Hexahydroxyflavone; 3',4',6,7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052131	3',4',5,6,7,8-Hexahydroxyflavone; 3',5,6,7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052132	3',4',5,6,7,8-Hexahydroxyflavone; 4',5,6,7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052133	3,3',4',5,5',7-Hexahydroxyflavone; 3',4',5,5',7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052134	3,3',4',5,5',7-Hexahydroxyflavone; 3,3',4',5',7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052135	3,3',4',5,6,7-Hexahydroxy-8-methylflavone; 3,3',6,7-Tetra-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052136	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',5,6,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052137	3,3',4',5,6,7-Hexahydroxyflavone; 3,3',4',5,6-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052138	3,3',4',5,6,7-Hexahydroxyflavone; 3,3',5,6,7-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052139	3,3',4',5,7,8-Hexahydroxyflavone; 3,3',4',5,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052140	3,3',4',5,7,8-Hexahydroxyflavone; 3,3',5,7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052141	3,3',5,6,7,8-Hexahydroxyflavone; 3,3',6,7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052142	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',5,6,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052143	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,7,8-Penta-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052144	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), Me ester 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052145	5-Hydroxy-3,3',4',6,7-pentamethoxyflavone 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052146	5-Hydroxy-3,3',4',7,8-pentamethoxyflavone 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052147	Atranorin; 2'-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052148	Aurantionone 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052149	Fibleucin; 2?,3?-Epoxide, 6?-hydroxy 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052150	Funicone; 3-Me ether 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052151	Naphthgeranine D 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052152	Saudinolide 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052153	Sculezonone A 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052154	Sigmoidin D; 4'?-Hydroxy 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052155	Wikstromol, 7'-Oxo 	C20H20O8	388.115817	NA	MeJP	NA	NA
+MJ052156	Fipexide 	C20H21ClN2O4	388.118984	NA	MeJP	NA	NA
+CJneg0580	Sucrose (and isomers) [(M-H)+(HCOOH)]-	C13H23O13	388.122225	C18rt(min)=0.95 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0580	Sucrose (and isomers) [(M-H)+(HCOOH)]-	C13H23O13	388.122225	C18rt(min)=0.95 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ052157	1,2-Diphenyl-4-[2-(phenylthio)ethyl]-3,5-pyrazolidinedione 	C23H20N2O2S	388.124548	NA	MeJP	NA	NA
+C16489	Fructoselysine 6-phosphate	C12H25N2O10P	388.1247	NA	KEGG	NA	NA
+MJ052158	Aranidipine 	C19H20N2O7	388.127051	NA	MeJP	NA	NA
+FL1DA9NN0001	Calomelanol D-1	C24H20O5	388.13107	73810-61-4	knapsack	NA	NA
+MJ052159	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin; 2',3'-Dihydro 	C24H20O5	388.131073	NA	MeJP	NA	NA
+C01852	Secologanin	C17H24O10	388.1369	NA	KEGG	NA	NA
+C09781	Geniposide	C17H24O10	388.1369	NA	KEGG	NA	NA
+C09802	Verbenalin	C17H24O10	388.1369	NA	KEGG	NA	NA
+MJ052160	Arborescosidic acid; Me ester 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052161	Aucubigenin; 10-Ac, 1-O-?-D-glucopyranoside 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052162	Aucubigenin; 6-Ac, 1-O-?-D-glucopyranoside 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052163	Deutziogenin, 1-O-(6-O-Acetyl-?-D-glucopyranoside) 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052164	Gardoside; Me ester 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052165	Geniposidic acid; Me ester 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052166	Genistifolin 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052167	Loganic acid; 7-Ketone, Me ester 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052168	Majoroside 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052169	Monotropein; 8-Deoxy, Me ester 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052170	Secologanin 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052171	Syringenone; 7?,8?-Epoxide 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052172	Verbenalol; O-?-D-Glucopyranoside 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052173	Vogeloside 	C17H24O10	388.136946	NA	MeJP	NA	NA
+MJ052174	Secologanin 	C17H24O10	388.136947	NA	MeJP	NA	NA
+MetaCyc03328	secologanin [(-)-secologanin;]	C17H24O10	388.136947	NA	metacyc	NA	NA
+MJ052175	[6-[(3,4,5-Trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamic acid; Me ester 	C18H20N4O6	388.138284	NA	MeJP	NA	NA
+C04541	N5-Dinitrophenyl-L-ornithine methyl ester	C18H20N4O6	388.1383	NA	KEGG	NA	NA
+C04542	Protein beta-D-galactosyl-L-hydroxylysine	C13H23N3O8R2	388.1383	NA	KEGG	NA	NA
+MJ052176	Flustramine A 	C21H29BrN2	388.151411	NA	MeJP	NA	NA
+MJ052177	Flustramine D 	C21H29BrN2	388.151411	NA	MeJP	NA	NA
+MJ052178	Flustramine E; N8-(3-Methyl-2-butenyl) 	C21H29BrN2	388.151411	NA	MeJP	NA	NA
+MJ052179	Isoflustramine D 	C21H29BrN2	388.151411	NA	MeJP	NA	NA
+C09260	Dihydrosamidin	C21H24O7	388.1522	NA	KEGG	NA	NA
+C09316	Visnadin	C21H24O7	388.1522	NA	KEGG	NA	NA
+C10891	Trachelogenin	C21H24O7	388.1522	NA	KEGG	NA	NA
+FL1CALNS0004	2,3,4,2',4',6'-Hexamethoxychalcone	C21H24O7	388.1522	639087-94-8	knapsack	NA	NA
+FLIDHXNI0008	Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan	C21H24O7	388.1522	115610-57-6	knapsack	NA	NA
+MJ052180	15,16-Epoxy-13(16),14-halimadiene-17,12:20,7-diolid-19-oic acid, Me ester 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052181	15,16-Epoxy-6-hydroxy-19-nor-13(16),14-clerodadiene-17,12:18,2-diolide, Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052182	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 2',3'-Didehydro, 1'-O-(2-methylbutanoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052183	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 2',3'-Didehydro, 1'-O-(3-methylbutanoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052184	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-(3-Methyl-2-butenoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052185	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3',5-Tri-Me ether 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052186	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,3',4'-Tri-Me ether 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052187	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3'-Me ether, 9-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052188	3,6:7,8-Diepoxy-3,5,11,15-cembratetraen-20,10-olid-18-oic acid, 11?,12?-Epoxide, Me ester 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052189	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3',5'-Di-Me ether, 1-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052190	4'-(2,3-Epoxy-1-hydroxypropyl)-2-hydroxy-5-(3-hydroxy-1-propenyl)-2',3-dimethoxybiphenyl; 6'-Methoxy 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052191	4,4',7-Trihydroxy-3,3'-dimethoxylignan-9,9'-olide, 7-Me ether 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052192	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Hydroxy-3-methylbutanoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052193	5-Acetyl-2,3-dihydro-3,6-dihydroxy-2-isopropenylbenzofuran, 6-Me ether, 3-O-[2-(acetoxymethyl)-2-butenoyl](Z-) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052194	6,19:15,16-Diepoxy-19-hydroxy-5(10),13(16),14-halimatrien-20,12-olid-18-oic acid, Me ester 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052195	6-Methoxy-3',4'-dehydromurranganon; O-(3-Methylbutanoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052196	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11-(2-Methylpropenoyl), 8-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052197	8,13-Dihydroxy-2-oxo-1(10),4,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052198	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052199	8-Hydroxypinoresinol; 4'-Me ether 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052200	Anthriscusin 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052201	Arctigenin, 7'S-Hydroxy 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052202	Arenol 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052203	Aviprin, 2'-O-(3-Methylbutanoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052204	Cuevaene B 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052205	Dihydrotrichostin 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052206	Divaricatic acid 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052207	Gibberellin A3; 3-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052208	Gorgiacerodiol 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052209	Heraclenol, 2'-O-(3-Methylbutanoyl) 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052210	Isogorgiacerodiol 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052211	KS 506h 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052212	Khellactone, 10-O-(2-Methylbutanoyl), 9-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052213	Khellactone, 10-O-(3-Methylbutanoyl), 9-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052214	Khellactone, 9-O-(3-Methylbutanoyl), 10-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052215	Khellactone, 9-O-(2-Methylbutanoyl), 10-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052216	Lanugone R 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052217	Lunatoic acid A 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052218	MS 3 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052219	Medioresinol 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052220	Orientanol A 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052221	Oxaguianin 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052222	Rameswaralide 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052223	Rishirilide A 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052224	Secohypoleucolide 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052225	Sphenostylin C 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052226	Subsphaeric acid 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052227	Taxifolial B 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052228	Tenellic acid B 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052229	Teubetonin 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052230	Vaginidiol; 1''-O-3-(Methylbutanoyl), 3'-O-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052231	Vaginidiol; 3'-O-(2-Methylbutanoyl), 1''-Ac 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052232	Visnadine 	C21H24O7	388.152203	NA	MeJP	NA	NA
+MJ052233	Xanthomonasin A 	C21H24O7	388.152203	NA	MeJP	NA	NA
+HMDB05032	Cetirizine	C21H25ClN2O3	388.15536	http://www.hmdb.ca/metabolites/HMDB05032	HMDB	NA	NA
+HMDB05032	Cetirizine	C21H25ClN2O3	388.15536	HMDB05032	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05032	Cetirizine	C21H25ClN2O3	388.155365	NA	HMDB2010	NA	NA
+MJ052234	Betotastine 	C21H25ClN2O3	388.15537	NA	MeJP	NA	NA
+MJ052235	Cetirizine 	C21H25ClN2O3	388.15537	NA	MeJP	NA	NA
+C07778	Cetirizine	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+C07779	Transferred to D00664	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+C07780	Transferred to D00665	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+C07781	Transferred to D00666	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+C07782	Transferred to D00667	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+C07783	Transferred to D00668	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+C07784	Transferred to D00669	C21H25ClN2O3	388.1554	NA	KEGG	NA	NA
+PJ000771	GSPE 	C15H24N4O8	388.1594	NA	PeJP	NA	NA
+8049	synthetic peptide	PWS	388.163	antioxidative	Inhouse_peptide	NA	peptide
+C07699	Nisoldipine	C20H24N2O6	388.1634	NA	KEGG	NA	NA
+C07700	Transferred to D00619	C20H24N2O6	388.1634	NA	KEGG	NA	NA
+C07701	Transferred to D00620	C20H24N2O6	388.1634	NA	KEGG	NA	NA
+C07702	Transferred to D00621	C20H24N2O6	388.1634	NA	KEGG	NA	NA
+C07703	Transferred to D00622	C20H24N2O6	388.1634	NA	KEGG	NA	NA
+MJ052236	Nisoldipine 	C20H24N2O6	388.163436	NA	MeJP	NA	NA
+MJ052237	m-Nisoldipine 	C20H24N2O6	388.163436	NA	MeJP	NA	NA
+FL1C1ANP0017	Paratocarpin A;Bis(6'',6''-dimethylpyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone	C25H24O4	388.16745	161099-56-5	knapsack	NA	NA
+FL1CA9NP0005	Flemiculosin	C25H24O4	388.16745	89354-00-7	knapsack	NA	NA
+FL2F1ANP0004	Xambioona	C25H24O4	388.16745	82345-36-6	knapsack	NA	NA
+FL2FA9NP0004	Spinoflavanone A;5-Hydroxy-6-(3-methyl-1,3-butadienyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C25H24O4	388.16745	146959-80-0	knapsack	NA	NA
+FL3F1ANP0001	Kanzonol E;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H24O4	388.16745	155233-21-9	knapsack	NA	NA
+MJ052238	Ajamxanthone 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052239	Bidwillon C; 4'-O-(3-Methyl-2-butenyl) 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052240	Flemiculosin 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052241	Kanzonol E 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052242	Paratocarpin A 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052243	Spinoflavanone A 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052244	Xambioona 	C25H24O4	388.167459	NA	MeJP	NA	NA
+MJ052245	Pinacyanol; Chloride 	C25H25ClN2	388.170626	NA	MeJP	NA	NA
+PJ000772	NQQ 	C14H24N6O7	388.1707	NA	PeJP	NA	NA
+C08558	Tuberonic acid glucoside	C18H28O9	388.1733	NA	KEGG	NA	NA
+MJ052246	2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-?-D-Glucopyranoside 	C18H28O9	388.173332	NA	MeJP	NA	NA
+MJ052247	2-O-Acetyl-1-O-(3-methylbutanoyl)-6-O-tigloyl-?-D-glucopyranose 	C18H28O9	388.173332	NA	MeJP	NA	NA
+MJ052248	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1-O-?-D-Xylopyranoside 	C18H28O9	388.173332	NA	MeJP	NA	NA
+MJ052249	4,8-Dihydroxy-2-methyl-6-methylene-2-octenal, 8-O-(2-Acetyl-?-D-glucopyranoside) 	C18H28O9	388.173332	NA	MeJP	NA	NA
+MJ052250	Jasmonic acid; 12-?-D-Glucopyranosyloxy 	C18H28O9	388.173332	NA	MeJP	NA	NA
+MJ052251	Nuezhengalaside 	C18H28O9	388.173332	NA	MeJP	NA	NA
+MJ052252	Dnacin B1 	C19H24N4O5	388.174669	NA	MeJP	NA	NA
+PJ000773	SPW 	C19H24N4O5	388.1747	NA	PeJP	NA	NA
+MJ052253	Purvalanol A 	C19H25ClN6O	388.177837	NA	MeJP	NA	NA
+PJ000774	AAPM 	C16H28N4O5S	388.1781	NA	PeJP	NA	NA
+MJ052254	1-[6-Amino-2-(1-hexynyl)-9H-purin-9-yl]-1-deoxy-N-ethyl-?-D-ribofuranuronamide 	C18H24N6O4	388.185903	NA	MeJP	NA	NA
+MJ052255	1,10-Epoxyfuranoeremophilane-3,6-diol, 3-Angeloyl, 6-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052256	1,12:15,16-Diepoxy-20-hydroxy-13(16),14-clerodadien-18,6-olide, 20-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052257	1,6,13-Trihydroxy-12,11-drimanolide, 6-Benzoyl 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052258	1,6-Dihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 1-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052259	1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methyl-2-butenoyl), 1-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052260	1,6-Dihydroxyfuranoeremophilan-9-one, 6-Angeloyl, 1-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052261	10-Hydroxy-3,15,17-sphenolobatrien-12,13-olid-19-oic acid, Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052262	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 11-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052263	15,16-Epoxy-1,12-dihydroxy-3,13(16)14-clerodatrien-18,6-olide, 1-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052264	15,16-Epoxy-12,17-dihydroxy-3,13(16),14-clerodatrien-18,6-olide, 12-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052265	15,16-Epoxy-12-oxo-8(17),13(16),14-labdatrien-19,20-dioic acid; Di-Me ester 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052266	15,16-Epoxy-3-hydroxy-8(17),13(16),14-labdatrien-18-oic acid, 3-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052267	2,14-Dihydroxycacalol; 2?-form, 14-O-(2-Methylpropanoyl), 9-O-propanoyl 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052268	2,4,6-Trihydroxy-7-daucen-9-one, 6-(4-Hydroxybenzoyl) 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052269	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,3',5,5'-Tetra-Me ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052270	2-Hydroxy-3,13-clerodadiene-15,16:18,19-diolide, Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052271	2-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide, Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052272	3,20-Epoxy-6,15-dihydroxy-16-kaurene-1,7-dione, 15-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052273	3,20-Epoxy-6,15-dihydroxy-16-kaurene-1,7-dione, 6-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052274	3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,3',4,5-Tetra-Me ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052275	3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, 3,3',4',5-Tetra-Me ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052276	3,3',4,4',7'-Pentahydroxy-7,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052277	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052278	3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052279	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 3-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052280	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052281	4,8:12,20:15,16:19,20-Tetraepoxy-13(16),14-clerodadien-6-ol, Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052282	7,12-Dihydroxy-8,12-abietadiene-11,14,20-trione; 7?-form, 7-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052283	7,12-Dihydroxy-8,12-abietadiene-12,6-olide, 7-Et ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052284	7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one, 15-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052285	7,7a-Dihydro-7a-[1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl]-6-(2-propenyl)-1,3-benzodioxol-5(6H)-one 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052286	7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(2-methyl-1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052287	7,8-Dihydro-5,7-dihydroxy-8,8-dimethyl-10-(3-methyl-1-oxobutyl)-4-propyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2-one 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052288	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052289	7-Hydroxy-3,13-clerodadiene-16,15:18,19-diolide, Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052290	8,12-Dihydroxy-4-isocedren-15,14-olide; 8-Angeloyl, 12-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052291	8,12-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methyl-2-butenoyl), 12-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052292	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052293	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 9-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052294	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052295	Calanolide E 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052296	Canellin D 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052297	Carnosol; 16-Acetoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052298	Chrysophyllin B 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052299	Coleon J; 3-Epimer, 7-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052300	Coleon J; 7-Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052301	Coleon O 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052302	Cyclomammein 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052303	Cycloneomammein 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052304	Dunnianin; 6-Deoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052305	Dysodanthin B 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052306	Eremantholide B; 17,18-Didehydro(Z-), Et ether 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052307	Fredericone B 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052308	Gelomulide C; 1?-Acetoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052309	Gelomulide J; Ac 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052310	Gelomulolide H 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052311	Gomisin K1; 5-O-De-Me 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052312	Homoheveadride 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052313	Isoapetalic acid 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052314	Isocalolongic acid 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052315	Isodoacetal 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052316	Lancilin 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052317	MAB 4 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052318	Macquarimicin B 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052319	Macrophyllin B 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052320	Neomammein, 1'''-Hydroxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052321	Pachypophyllin 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052322	Pachypostaudin B; 3,4-Dihydro 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052323	Piperenone 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052324	Plectranthone F; 15,16-Dihydro, 15?-acetoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052325	Plectranthone H 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052326	Quassin 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052327	Scytalidin; Deoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052328	Syl B 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052329	Trichoaurantianolide A 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052330	Trichorabdal D; 3,11-Dideoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052331	Virolin; 5-Methoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052332	Virolongin A, 4-O-De-Me 	C22H28O6	388.188588	NA	MeJP	NA	NA
+MJ052333	Wederegiolide; 15-Acetoxy 	C22H28O6	388.188588	NA	MeJP	NA	NA
+C08778	Quassin	C22H28O6	388.1886	NA	KEGG	NA	NA
+C10888	Surinamensin	C22H28O6	388.1886	NA	KEGG	NA	NA
+MJ052334	Suxethonium(2+); Dichloride 	C16H34Cl2N2O4	388.189563	NA	MeJP	NA	NA
+PJ000775	LQE 	C16H28N4O7	388.1958	NA	PeJP	NA	NA
+7737	NA	IAYKPEG	388.1965	MH2+	Inhouse_peptide	NA	peptide
+MJ052335	3-Bromo-9,13-labdanediol 	C20H37BrO2	388.197693	NA	MeJP	NA	NA
+C07178	Trimethobenzamide	C21H28N2O5	388.1998	NA	KEGG	NA	NA
+C07179	Transferred to D00394	C21H28N2O5	388.1998	NA	KEGG	NA	NA
+MJ052336	Ramiprilat 	C21H28N2O5	388.199822	NA	MeJP	NA	NA
+MJ052337	Trimethobenzamide 	C21H28N2O5	388.199822	NA	MeJP	NA	NA
+MJ052338	Zabiciprilat 	C21H28N2O5	388.199822	NA	MeJP	NA	NA
+8005	synthetic peptide	LWA	388.2	antibacterial	Inhouse_peptide	NA	peptide
+FL3F99NI0001	5-Methoxy-7,8-diprenylflavone	C26H28O3	388.20384	-	knapsack	NA	NA
+PJ000776	NQK 	C15H28N6O6	388.207	NA	PeJP	NA	NA
+PJ000777	VDR 	C15H28N6O6	388.2071	NA	PeJP	NA	NA
+C17452	Rehmaionoside C	C19H32O8	388.2097	NA	KEGG	NA	NA
+MJ052339	1,4,6,11,12,13-Eudesmanehexol, 12,13-Di-Ac 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052340	2,3-Dihydroxy-4-megastigmen-9-one; 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052341	3,11-Dihydroxy-5-megastigmen-9-one, 11-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052342	3,4-Dihydroxy-5-megastigmen-9-one; 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052343	3,6-Dihydroxy-7-megastigmen-9-one; 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052344	5,11-Epoxy-7-megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052345	5,11-Epoxy-7-megastigmene-3,9-diol, 7,8-Dihydro, 9-ketone, 3-O-?-D-glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052346	5,6-Epoxy-7-megastigmene-3,9-diol, 9-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052347	5,6-Epoxy-7-megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052348	5,6-Epoxy-7-megastigmene-3,9-diol, 9-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052349	5,6-Epoxy-7-megastigmene-3,9-diol, 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052350	5,7-Megastigmadiene-3,4,9-triol, 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052351	5,7-Megastigmadiene-3,4,9-triol, 4-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052352	5,7-Megastigmadiene-3,4,9-triol, 3-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052353	6,7-Megastigmadiene-3,5,9-triol; 9-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052354	6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro, 9-O-?-D-glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052355	6,9-Dihydroxy-7-megastigmen-3-one, 9-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052356	7-Megastigmene-3,6,9-triol, 9-Ketone, 3-O-?-D-glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052357	7-Megastigmene-5,6,9-triol, 9-Ketone, 5-O-?-D-glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052358	9,11-Dihydroxy-4-megastigmen-3-one, 11-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052359	9,13-Dihydroxy-4-megastigmen-3-one; 9-O-?-D-Glucopyranoside 	C19H32O8	388.209718	NA	MeJP	NA	NA
+MJ052360	Ilomastat 	C20H28N4O4	388.211055	NA	MeJP	NA	NA
+PJ000778	ALW 	C20H28N4O4	388.2111	NA	PeJP	NA	NA
+MJ052361	Cinperene 	C25H28N2O2	388.215078	NA	MeJP	NA	NA
+MJ052362	Kalihinol C; 10-Isothiocyanate 	C22H32N2O2S	388.218448	NA	MeJP	NA	NA
+MJ052363	Kalihinol K; 5-Isothiocyanate 	C22H32N2O2S	388.218448	NA	MeJP	NA	NA
+MJ052364	Bengamide Z 	C18H32N2O7	388.220951	NA	MeJP	NA	NA
+MJ052365	1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052366	1,3,14-Trihydroxycarda-4,20(22)-dienolide 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052367	1,9,15-Heptadecatriene-11,13-diyn-8-ol, ?-L-Rhamnopyranoside 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052368	11,12-Epoxy-3,14-dihydroxycard-20(22)-enolide 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052369	11,12-Epoxy-7-drimene-6,9,11-triol, 6-O-(2E,4E,6E-Octatrienoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052370	15,16-Epoxy-3,13(16),14-clerodatrien-18-ol, 18-Malonyl 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052371	2,2',4',6'-Tetrahydroxy-3'-prenylacetophenone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052372	2,6-Humuladiene-1,4-diol, 1-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052373	2,6-Humuladiene-1,4-diol, 4-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052374	2-Himachalene-4,7-diol, 4-(3-Hydroxy-4-methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052375	3,14,19-Trihydroxycarda-5,20(22)-dienolide 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052376	3,14-Dihydroxy-11-oxocard-20(22)-enolide 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052377	3,14-Dihydroxy-19-oxocard-20(22)-enolide 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052378	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-(5-Acetoxy-4-methyl-2Z-pentenoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052379	3-Hydroxy-9,11-eremophiladien-8-one, 3-O-(5-Acetoxy-4-methyl-2Z-pentenoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052380	6-(3,7-Dimethyl-2,6-octadienyl)-3,4-dihydro-3,5,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran, 5-Ac 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052381	7-Daucene-4,6,9-triol, 6-(4-Methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052382	8,11,13-Abietatriene-1,18-diol; 1?-form, 18-Malonoyl 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052383	8,9-Epoxy-4,6-daucanediol, 6-(4-Methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052384	8-Daucene-2,4,6-triol, 6-(4-Methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052385	8-Daucene-4,6,10-triol, 6-(4-Methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052386	8-Daucene-4,6,14-triol, 6-(4-Methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052387	8-Daucene-4,6-diol, 6-(3-Hydroxy-4-methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052388	8-Daucene-4,6-diol, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052389	Dactylosponol; 19,20-Dihydroxy 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052390	Periforgenin A 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052391	Shikoccin; 7-Me ether 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052392	Siphonodictyoic acid; Me ester, 19-hydroxy 	C23H32O5	388.224974	NA	MeJP	NA	NA
+MJ052393	Stachybotrydial; 7'-Alcohol 	C23H32O5	388.224974	NA	MeJP	NA	NA
+C14675	11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate	C23H32O5	388.225	NA	KEGG	NA	NA
+C15284	6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate	C23H32O5	388.225	NA	KEGG	NA	NA
+C15372	11alpha,17beta-Dihydroxyandrost-4-en-3-one diacetate	C23H32O5	388.225	NA	KEGG	NA	NA
+PJ000779	LKE 	C17H32N4O6	388.2322	NA	PeJP	NA	NA
+PJ000780	TLR 	C16H32N6O5	388.2434	NA	PeJP	NA	NA
+HMDB12109	5,6-Dihydroxyprostaglandin F1a	C20H36O7	388.246094	NA	HMDB2010	NA	NA
+MJ052394	Norcaperatic acid 	C20H36O7	388.246103	NA	MeJP	NA	NA
+MJ052395	Caracasanamide 	C21H32N4O3	388.24744	NA	MeJP	NA	NA
+MJ052396	Propyperone 	C23H33FN2O2	388.252606	NA	MeJP	NA	NA
+MJ052397	1,3,8(19),11-Cembratetraene-7,14-diol, Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052398	13,17-Spatadiene-5,16-diol, Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052399	13-Hydroxy-16-atisen-19-oic acid, 2-Methylpropanoyl 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052400	15,16-Diacetoxy-7,13(16),14-labdatriene 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052401	15,16-Diacetoxy-9,10-seco-1(10),8,13(16),14-labdatetraene 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052402	15-Hydroxy-16-kauren-19-oic acid, 2-Methylpropanoyl 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052403	16-Kaurene-18,19-diol; ent-form, Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052404	2,3-Dihydro-5,7-dihydroxy-2-pentadecylidene-4H-1-benzopyran-4-one 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052405	2,6,10,14-Phytatetraene-1,16-diol, 16-Aldehyde, 1-O-(3-hydroxy-2-methyl-2-propenoyl)(Z-) 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052406	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-tridecyl-4H-1-benzopyran-4-one 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052407	2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy, 8',9',11',12'-tetradehydro(Z,Z-) 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052408	2-[4-(1-Hydroxyhexyl)phenyl]-5-oxocyclopentaneheptanoic acid 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052409	3,16-Dihydroxy-22,23,24,25,26,27-hexanorcurcurbit-5-ene-11,20-dione 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052410	5,7-Dihydroxy-2-pentadecyl-4H-1-benzopyran-4-one 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052411	6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 9-Ketone, 12-butanoyl 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052412	7,12,14-Labdatriene-6,17-diol, 6,17-Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052413	7,15-Pimaradiene-2,18-diol, Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052414	7,18-Trachylobanediol, Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052415	8(14),15-Isopimaradiene-1,11-diol, Di-Ac 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052416	Amphidinolide J; 9-Ketone 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052417	Hexahydro-4-methoxy-4a-(3,7,11-trimethyl-2,6,10-dodecatrienyl)cyclopenta[b]pyran-2,6-dione 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052418	Homoancepsenolide; 7'',8''-Didehydro (Z-) 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052419	Javeroic acid 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052420	Plakortolide E 	C24H36O4	388.261359	NA	MeJP	NA	NA
+MJ052421	Soulattrone A 	C24H36O4	388.261359	NA	MeJP	NA	NA
+C15422	2alpha-Methyl-17beta-[(tetrahydro-2H-pyran-2-yl)oxy]-5alpha-	C25H40O3	388.2977	NA	KEGG	NA	NA
+MJ052422	15-Rosene-5,19-diol, 19-Tigloyl 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052423	2-Heptadecyl-6-hydroxybenzoic acid; 10',11'-Didehydro, Me ester 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052424	24,25-Epoxy-16-scalarene-12,25-diol 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052425	3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-methanol 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052426	3-(4-Hydroxyphenyl)-2-propenoic acid, Hexadecyl ester 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052427	4,6,8,10,12,14,16-Heptamethyl-6,8,11-octadecatriene-3,5,13-trione 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052428	7,15-Pimaradiene-2,18-diol, 18-(3-Methylbutanoyl) 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052429	8(17),14-Labdadiene-13,18-diol, 18-Tigloyl 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052430	Cladosporide A 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052431	Kobiin 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052432	Nitidasin 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052433	Raspailol B 	C25H40O3	388.297745	NA	MeJP	NA	NA
+MJ052434	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-12-methyltetradecanoyl) 	C24H40N2O2	388.308978	NA	MeJP	NA	NA
+MJ052435	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-13-methyltetradecanoyl) 	C24H40N2O2	388.308978	NA	MeJP	NA	NA
+MJ052436	1-Heptadecene-4,6,8,10,12-pentol, Penta-Me ether 	C22H44O5	388.318874	NA	MeJP	NA	NA
+MJ052437	1-Phenyl-1,3-eicosanedione; 3-Alcohol 	C26H44O2	388.33413	NA	MeJP	NA	NA
+MJ052438	2-Methyl-5-(14-nonadecenyl)-1,3-benzenediol 	C26H44O2	388.33413	NA	MeJP	NA	NA
+MJ052439	24-Methyl-16-pentacosene-2,4-diyne-1,6-diol 	C26H44O2	388.33413	NA	MeJP	NA	NA
+HMDB00248	Thyroxine	C15H11I4NO4	388.3433535	MH2+	Inhouse_peptide	NA	peptide
+MJ052440	17-[[3-(Dimethylamino)propyl]methylamino]androst-5-en-3-ol 	C25H44N2O	388.345364	NA	MeJP	NA	NA
+MJ052441	3,20-Diaminopregn-5-en-18-ol, N3,N3,N20,N20-Tetra-Me 	C25H44N2O	388.345364	NA	MeJP	NA	NA
+MJ052442	Chonemorphine; N-Ac 	C25H44N2O	388.345364	NA	MeJP	NA	NA
+MJ052443	Pachysandra Base XI 	C25H44N2O	388.345364	NA	MeJP	NA	NA
+MJ052444	Pregnane-3,20-diamine, N3,N20-Di-Me, N20-Ac 	C25H44N2O	388.345364	NA	MeJP	NA	NA
+C12978	Epidihydrocholesterin	C27H48O	388.3705	NA	KEGG	NA	NA
+HMDB00908	Cholestanol	C27H48O	388.37051	http://www.hmdb.ca/metabolites/HMDB00908	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00577	Coprosterol	C27H48O	388.37051	http://www.hmdb.ca/metabolites/HMDB00577	HMDB	NA	NA
+HMDB00908	Cholestanol	C27H48O	388.37051	http://www.hmdb.ca/metabolites/HMDB00908	HMDB	NA	NA
+HMDB01569	5b-Cholestanol	C27H48O	388.37051	http://www.hmdb.ca/metabolites/HMDB01569	HMDB	NA	NA
+HMDB00908	Cholestanol	C27H48O	388.37051	http://www.hmdb.ca/metabolites/HMDB00908	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00577	Coprosterol	C27H48O	388.37051	HMDB00577	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00908	Cholestanol	C27H48O	388.37051	HMDB00908	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01569	5b-Cholestanol	C27H48O	388.37051	HMDB01569	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00577	5beta-Coprostanol	C27H48O	388.370514	NA	HMDB2010	NA	NA
+HMDB00908	5alpha-Cholestanol	C27H48O	388.370514	NA	HMDB2010	NA	NA
+HMDB01569	Epi-coprostanol	C27H48O	388.370514	NA	HMDB2010	NA	NA
+MJ052445	19-Norergostan-3-ol 	C27H48O	388.370516	NA	MeJP	NA	NA
+MJ052446	3-Hydroxymethyl-A-norcholestane 	C27H48O	388.370516	NA	MeJP	NA	NA
+MJ052447	Cholestan-3-ol 	C27H48O	388.370516	NA	MeJP	NA	NA
+MetaCyc03329	cholestanol []	C27H48O1	388.370516	NA	metacyc	NA	NA
+2663	synthetic fr, of human beta-CN (137-143) ACE inhibitor	QVPQPIP	388.712	MH2+	Inhouse_peptide	NA	peptide
+MJ052448	Cyclothiazide 	C14H16ClN3O4S2	389.027075	NA	MeJP	NA	NA
+C12685	Cyclothiazide	C14H16ClN3O4S2	389.0271	NA	KEGG	NA	NA
+C12686	Transferred to D01257	C14H16ClN3O4S2	389.0271	NA	KEGG	NA	NA
+C12687	Transferred to D01258	C14H16ClN3O4S2	389.0271	NA	KEGG	NA	NA
+C12688	Transferred to D01259	C14H16ClN3O4S2	389.0271	NA	KEGG	NA	NA
+C12689	Transferred to D01260	C14H16ClN3O4S2	389.0271	NA	KEGG	NA	NA
+C12690	Transferred to D01261	C14H16ClN3O4S2	389.0271	NA	KEGG	NA	NA
+MJ052449	2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-(3-Chloro-5-hexyl-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole 	C17H18Cl3NO3	389.035226	NA	MeJP	NA	NA
+MJ052450	2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-[3-Chloro-2,6-dihydroxy-5-(4-methylpentyl)benzoyl]-4,5-dichloro-1H-pyrrole 	C17H18Cl3NO3	389.035226	NA	MeJP	NA	NA
+C08425	Progoitrin	C11H19NO10S2	389.045	NA	KEGG	NA	NA
+MJ052451	Progoitrin 	C11H19NO10S2	389.045037	NA	MeJP	NA	NA
+MJ052452	Arcyriaverdin C 	C20H11N3O6	389.064785	NA	MeJP	NA	NA
+HMDB04381	N-Acetylneuraminic acid 9-phosphate	C11H20NO12P	389.0723	http://www.hmdb.ca/metabolites/HMDB04381	HMDB	NA	NA
+HMDB06268	N-Acetylneuraminate 9-phosphate	C11H20NO12P	389.0723	http://www.hmdb.ca/metabolites/HMDB06268	HMDB	NA	NA
+C06241	N-Acetylneuraminate 9-phosphate	C11H20NO12P	389.0723	NA	KEGG	NA	NA
+HMDB04381	N-Acetylneuraminic acid 9-phosphate	C11H20NO12P	389.0723	HMDB04381	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06268	N-Acetylneuraminate 9-phosphate	C11H20NO12P	389.0723	HMDB06268	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc03330	N-acetylneuraminate-9-phosphate [N-acetylneuraminate-9-P;]	C11H20N1O12P1	389.072312	NA	metacyc	NA	NA
+HMDB04381	N-Acetylneuraminic acid 9-phosphate	C11H20NO12P	389.072327	NA	HMDB2010	NA	NA
+HMDB06268	N-Acetylneuraminate 9-phosphate	C11H20NO12P	389.072327	NA	HMDB2010	NA	NA
+C05993	Acetyl adenylate	C12H16N5O8P	389.0736	NA	KEGG	NA	NA
+HMDB06880	Acetyl adenylate	C12H16N5O8P	389.073639	NA	HMDB2010	NA	NA
+HMDB06880	Acetyl adenylate	C12H16N5O8P	389.07364	http://www.hmdb.ca/metabolites/HMDB06880	HMDB	NA	NA
+HMDB06880	Acetyl adenylate	C12H16N5O8P	389.07364	HMDB06880	PFEM_hmdb_metabocards_official	NA	NA
+MJ052453	Acetyl adenylate 	C12H16N5O8P	389.073649	NA	MeJP	NA	NA
+MetaCyc03331	acetyl AMP [acetyladenylate;]	C12H16N5O8P1	389.073649	13015-87-7	metacyc	NA	NA
+C17257	2-Methylbutyl glucosinolate	C12H23NO9S2	389.0814	NA	KEGG	NA	NA
+MJ052454	2-Methylbutyl glucosinolate 	C12H23NO9S2	389.081422	NA	MeJP	NA	NA
+MJ052455	3-Methylbutyl glucosinolate 	C12H23NO9S2	389.081422	NA	MeJP	NA	NA
+MJ052456	Pentyl glucosinolate 	C12H23NO9S2	389.081422	NA	MeJP	NA	NA
+MJ052457	Noelaquinone 	C21H15N3O5	389.10117	NA	MeJP	NA	NA
+MJ052458	Azamethonium(2+); Dibromide 	C13H33Br2N3	389.104123	NA	MeJP	NA	NA
+C06888	Cefprozil	C18H19N3O5S	389.1045	NA	KEGG	NA	NA
+MJ052459	Antibiotic BMY 28100 	C18H19N3O5S	389.104541	NA	MeJP	NA	NA
+MJ052460	Cefprozil 	C18H19N3O5S	389.104541	NA	MeJP	NA	NA
+MJ052461	Siltenzepine 	C19H20ClN3O4	389.114233	NA	MeJP	NA	NA
+PJ000781	CMH 	C14H23N5O4S2	389.1192	NA	PeJP	NA	NA
+MJ052462	6-[3-(Methylamino)propyl]-4-(3-thienyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione 	C22H19N3O2S	389.119797	NA	MeJP	NA	NA
+C12201	(+/-)-6-Acetonyldihydrosanguinarine	C23H19NO5	389.1263	NA	KEGG	NA	NA
+MJ052463	8-Acetonyldihydronitidine; 10,11-Di-O-de-Me, 10,11-methylene ether 	C23H19NO5	389.126322	NA	MeJP	NA	NA
+MJ052464	8-Acetonyldihydrosanguinarine 	C23H19NO5	389.126322	NA	MeJP	NA	NA
+PJ000782	GPCN 	C14H23N5O6S	389.1369	NA	PeJP	NA	NA
+MJ052465	Euxylophorine; 10-Methoxy, 7,8-didehydro 	C22H19N3O4	389.137556	NA	MeJP	NA	NA
+MJ052466	Tadalafil 	C22H19N3O4	389.137556	NA	MeJP	NA	NA
+C11729	Hetacillin	C19H23N3O4S	389.1409	NA	KEGG	NA	NA
+MJ052467	Hetacillin 	C19H23N3O4S	389.140926	NA	MeJP	NA	NA
+MJ052468	Orotirelin 	C16H19N7O5	389.144766	NA	MeJP	NA	NA
+MJ052469	Ambelline; 1?,2?-Epoxide, Ac 	C20H23NO7	389.147452	NA	MeJP	NA	NA
+MJ052470	Antibiotic AI 77F 	C20H23NO7	389.147452	NA	MeJP	NA	NA
+MJ052471	Macranthine; Di-O-Ac 	C20H23NO7	389.147452	NA	MeJP	NA	NA
+MJ052472	Pterophorine 	C20H23NO7	389.147452	NA	MeJP	NA	NA
+MJ052473	Senaetnine 	C20H23NO7	389.147452	NA	MeJP	NA	NA
+C10386	Senaetnine	C20H23NO7	389.1475	NA	KEGG	NA	NA
+MJ052474	Gemifloxacin 	C18H20FN5O4	389.149932	NA	MeJP	NA	NA
+PJ000783	NQE 	C14H23N5O8	389.1547	NA	PeJP	NA	NA
+MJ052475	Anhydrodehydrotylophorinidine; Me ether, 2-methoxy 	C24H24NO4(+)	389.162708	NA	MeJP	NA	NA
+3296	NA	HHP	389.168	celiac toxic	Inhouse_peptide	NA	peptide
+3300	NA	PHH	389.168	celiac toxic	Inhouse_peptide	NA	peptide
+3311	NA	HPH	389.168	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000784	GQW 	C18H23N5O5	389.1699	NA	PeJP	NA	NA
+MJ052476	Reproterol 	C18H23N5O5	389.169918	NA	MeJP	NA	NA
+MJ052477	1-[1-Oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propenyl]-2-piperidineacetic acid 	C23H23N3O3	389.173941	NA	MeJP	NA	NA
+MJ052478	Cynodine 	C23H23N3O3	389.173941	NA	MeJP	NA	NA
+MJ052479	Isocynometrine, Benzoyl 	C23H23N3O3	389.173941	NA	MeJP	NA	NA
+MJ052480	Balofloxacin 	C20H24FN3O4	389.175084	NA	MeJP	NA	NA
+C13906	Balofloxacin	C20H24FN3O4	389.1751	NA	KEGG	NA	NA
+PJ000785	LEE 	C16H27N3O8	389.1798	NA	PeJP	NA	NA
+PJ000786	PHH 	C17H23N7O4	389.1812	NA	PeJP	NA	NA
+MJ052481	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(2-Hydroxy-3-phenylpropanoyl), 6-tigloyl, N-de-Me 	C21H27NO6	389.183837	NA	MeJP	NA	NA
+MJ052482	Alanolide 	C21H27NO6	389.183837	NA	MeJP	NA	NA
+MJ052483	Epolactaene 	C21H27NO6	389.183837	NA	MeJP	NA	NA
+MJ052484	Stephamiersine 	C21H27NO6	389.183837	NA	MeJP	NA	NA
+MJ052485	Tridictyophylline 	C21H27NO6	389.183837	NA	MeJP	NA	NA
+MJ052486	Roquefortine 	C22H23N5O2	389.185175	NA	MeJP	NA	NA
+PJ000787	NKE 	C15H27N5O7	389.1911	NA	PeJP	NA	NA
+MJ052487	Sintropium(1+); Bromide 	C19H36BrNO2	389.192942	NA	MeJP	NA	NA
+MJ052488	3,4,13-Trihydroxylupanine, 13-O-(2-Pyrrolecarboxylate) 	C20H27N3O5	389.19507	NA	MeJP	NA	NA
+MJ052489	Cilazaprilat 	C20H27N3O5	389.19507	NA	MeJP	NA	NA
+C17309	Cilazaprilat	C20H27N3O5	389.1951	NA	KEGG	NA	NA
+C17322	tRNA containing 2-thiouridine	C9H13N2O8PS	389.1951	NA	KEGG	NA	NA
+C17323	tRNA containing 5-carboxymethylaminomethyl-2-thiouridine	C12H18N3O10PS	389.1951	NA	KEGG	NA	NA
+C17324	tRNA adenine	C10H14N5O7P	389.1951	NA	KEGG	NA	NA
+C17325	tRNA cytosine	C9H14N3O8P	389.1951	NA	KEGG	NA	NA
+MJ052490	Dioncophylline A; 1,2-Didehydro, Me ether 	C25H27NO3	389.199093	NA	MeJP	NA	NA
+PJ000788	SQR 	C14H27N7O6	389.2023	NA	PeJP	NA	NA
+PJ000789	GKW 	C19H27N5O4	389.2063	NA	PeJP	NA	NA
+MJ052491	Alfuzosin 	C19H27N5O4	389.206304	NA	MeJP	NA	NA
+MJ052492	Isoechinulin A; 3e,3h-Didehydro 	C24H27N3O2	389.210327	NA	MeJP	NA	NA
+MJ052493	Neoechinulin D; 3e,3h-Didehydro 	C24H27N3O2	389.210327	NA	MeJP	NA	NA
+MJ052494	Athrocupressine; Me ether, 2?-methoxy 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+MJ052495	Cephalofortuneine; 2-Epimer, 2-Et ether 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+MJ052496	Cephalofortuneine; 2-Et ether 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+MJ052497	Hatomamicin 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+MJ052498	Oxotuberostemonine 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+MJ052499	Stemoninine 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+MJ052500	Tuberostemonine; 1,9a-Didehydro, 9-hydroxy 	C22H31NO5	389.220223	NA	MeJP	NA	NA
+PJ000790	DKK 	C16H31N5O6	389.2274	NA	PeJP	NA	NA
+PJ000791	AATK 	C16H31N5O6	389.2275	NA	PeJP	NA	NA
+PJ000792	SKR 	C15H31N7O5	389.2387	NA	PeJP	NA	NA
+MJ052501	Phenylalaninylarginal; N2-(3-Methylbutanoyl) 	C20H31N5O3	389.242689	NA	MeJP	NA	NA
+MJ052502	Albovionitine 	C23H35NO4	389.256608	NA	MeJP	NA	NA
+MJ052503	Eliamide 	C23H35NO4	389.256608	NA	MeJP	NA	NA
+MJ052504	Yuzurine; 9,22-Didehydro, O-de-Me 	C23H35NO4	389.256608	NA	MeJP	NA	NA
+C17710	Sannamycin A	C17H35N5O5	389.2638	NA	KEGG	NA	NA
+C17991	Istamycin B	C17H35N5O5	389.2638	NA	KEGG	NA	NA
+MJ052505	Antibiotic Y 03873J-A; N2-De-Ac, N5-(aminoacetyl) 	C17H35N5O5	389.263819	NA	MeJP	NA	NA
+MJ052506	Istamycin A 	C17H35N5O5	389.263819	NA	MeJP	NA	NA
+MJ052507	Sporaricin A 	C17H35N5O5	389.263819	NA	MeJP	NA	NA
+MJ052508	2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid 	C20H39NO6	389.277737	NA	MeJP	NA	NA
+MJ052509	Het389 	C21H35N5O2	389.279075	NA	MeJP	NA	NA
+MJ052510	Samandinine 	C24H39NO3	389.292994	NA	MeJP	NA	NA
+MJ052511	2,4,10-Docosatrienoic isobutylamide 	C26H47NO	389.365765	NA	MeJP	NA	NA
+MJ052512	3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Heneicosyl-1H-pyrrole-2-carboxaldehyde 	C26H47NO	389.365765	NA	MeJP	NA	NA
+3498	ACE inhibitor from b-casein (169-175)	KVLPVPQ	389.738	MH2+	Inhouse_peptide	NA	peptide
+7877	peptide derived from bovine b-casein (170-176)	VLPVPQK	389.738	MH2+	Inhouse_peptide	NA	peptide
+MJ052513	Calcium iodate(V) (Ca(IO3)2) 	CaI2O6	389.741015	NA	MeJP	NA	NA
+MJ052514	Bromocyclen 	C8H5BrCl6	389.770579	NA	MeJP	NA	NA
+MJ052515	Mercaptobutanedioato(1-)gold; Di-Na salt 	C4H3AuNa2O4S	389.921295	NA	MeJP	NA	NA
+MJ052516	2,4,7-Trichloro-3,5,6,8-tetrahydroxy-1-methylxanthone; 5-Me ether 	C15H9Cl3O6	389.946471	NA	MeJP	NA	NA
+C00119	5-Phospho-alpha-D-ribose 1-diphosphate	C5H13O14P3	389.9518	NA	KEGG	NA	NA
+C02884	Ribose triphosphate	C5H13O14P3	389.9518	NA	KEGG	NA	NA
+C02885	S-Alkyl thiosulfate	HS2O3R	389.9518	NA	KEGG	NA	NA
+HMDB00280	Phosphoribosyl pyrophosphate	C5H13O14P3	389.95181	http://www.hmdb.ca/metabolites/HMDB00280	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00280	Phosphoribosyl pyrophosphate	C5H13O14P3	389.95181	http://www.hmdb.ca/metabolites/HMDB00280	HMDB	NA	NA
+HMDB00280	Phosphoribosyl pyrophosphate	C5H13O14P3	389.95181	http://www.hmdb.ca/metabolites/HMDB00280	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00280	Phosphoribosyl pyrophosphate	C5H13O14P3	389.95181	HMDB00280	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00280	Phosphoribosyl pyrophosphate	C5H13O14P3	389.951813	NA	HMDB2010	NA	NA
+MJ052517	5-Phospho-alpha-D-ribose 1-diphosphate 	C5H13O14P3	389.951814	NA	MeJP	NA	NA
+MetaCyc03332	5-phosphoribosyl 1-pyrophosphate [PRPP;5-phospho-&alpha;-D-ribose 1-diphosphate;5-phosphoribosyl diphosphate;5-phosphoribosyl-1-PP;5-phosphoribosyl-PP;5-phosphoribosyl-1-pyrophosphate;5-phosphoribosylpyrophosphate;phosphoribosylpyrophosphate;5-phospho-ribosyl-pyrophosphate;&alpha;-D-5-phosphoribosylPP;&alpha;-D-5-P-RibosylPP;5-phospho-&alpha;-D-ribose-1-diphosphate;]	C5H13O14P3	389.951815	13270-65-0	metacyc	NA	NA
+MJ052518	10,12-Dibromo-6,9:7,13-diepoxy-3-pentadecen-1-yne 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052519	10-Bromo-7,8-epoxy-2,9-chamigradiene-5,15-diol; 15-Deoxy, 4-bromo 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052520	2,10-Dibromo-5,10-epoxy-2,8-chamigradien-7-ol 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052521	Elatenyne 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052522	Isolaurallene 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052523	Isolaureatin 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052524	Isoprelaurefucin 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052525	Kumausallene 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052526	Laurallene 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052527	Laureacetal D 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052528	Laureatin 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052529	Laureepoxide 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052530	Laureoxanyne 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052531	Laurobtusin 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052532	Lauroxane 	C15H20Br2O2	389.983005	NA	MeJP	NA	NA
+MJ052533	Gliotoxin G 	C13H14N2O4S4	389.983639	NA	MeJP	NA	NA
+MJ052534	Ponalrestat 	C17H12BrFN2O3	390.001533	NA	MeJP	NA	NA
+MJ052535	Letrazuril 	C17H9Cl2FN4O2	390.008659	NA	MeJP	NA	NA
+MJ052536	Antibiotic TAN 2421A1; Bisdechloro 	C18H14O8S	390.040938	NA	MeJP	NA	NA
+MJ052537	Dysamide A; 3',3''-Didechloro 	C14H22Cl4N2O2	390.043538	NA	MeJP	NA	NA
+HMDB06953	1-Phosphatidyl-D-myo-inositol	C11H19O13P	390.056335	NA	HMDB2010	NA	NA
+MJ052538	Barbatolic acid 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052539	Consalazinic acid 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052540	Coruleoellagic acid; 2,3,6,8-Tetra-Me ether 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052541	Pseudotrifuhalol A 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052542	Trifuhalol A 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052543	Trifuhalol B 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052544	Triisofuhalol 	C18H14O10	390.058696	NA	MeJP	NA	NA
+MJ052545	12(11?10)-Abeo-4-bromo-3-chloro-7,8-epoxy-11(13)-chamigren-1-ol; Ac 	C17H24BrClO3	390.059734	NA	MeJP	NA	NA
+MJ052546	1,4,5,7-Tetrahydroxy-2-methylanthraquinone; 1-Benzoyl 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052547	3-O-3'-Bidroserone 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052548	Antibiotic SF 2330 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052549	Batocanone 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052550	Cnidimarin 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052551	Diospyrin; 8'-Hydroxy 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052552	Diosquinone 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052553	Euclanone 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052554	Hydroxyisodiospyrin; (R)axial-form 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052555	Hydroxyisodiospyrin 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052556	Hypoxyxylerone 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052557	Isobatocanone 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052558	Spiromentin D 	C22H14O7	390.073952	NA	MeJP	NA	NA
+MJ052559	Permethrin, ANSI 	C21H20Cl2O3	390.078949	NA	MeJP	NA	NA
+C14388	Permethrin	C21H20Cl2O3	390.079	NA	KEGG	NA	NA
+MJ052560	Galactaric acid; 2-O-(3,4,5-Trihydroxybenzoyl), di-Me ester 	C15H18O12	390.079826	NA	MeJP	NA	NA
+MJ052561	Cefaloram 	C18H18N2O6S	390.088557	NA	MeJP	NA	NA
+FL3FGGNS0001	Gardenin E;3',5,5'-Trihydroxy-4',6,7,8-tetramethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	29550-07-0	knapsack	NA	NA
+FL3FGGNS0002	Scaposin	C19H18O9	390.09508	18398-74-8	knapsack	NA	NA
+FL3FGLNS0002	Agecorynin D;2-(2,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	77053-48-6	knapsack	NA	NA
+FL5FEGNS0007	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone	C19H18O9	390.09508	58840-32-7	knapsack	NA	NA
+FL5FEGNS0008	5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone	C19H18O9	390.09508	63296-16-2	knapsack	NA	NA
+FL5FEGNS0009	5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone	C19H18O9	390.09508	30250-30-7	knapsack	NA	NA
+FL5FEGNS0010	Apuleitrin	C19H18O9	390.09508	34211-16-0	knapsack	NA	NA
+FL5FEGNS0011	3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone	C19H18O9	390.09508	139889-55-7	knapsack	NA	NA
+FL5FELNS0007	5-O-Demethylapulein	C19H18O9	390.09508	20398-48-5	knapsack	NA	NA
+FL5FELNS0008	5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	156973-13-6	knapsack	NA	NA
+FL5FELNS0009	5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone	C19H18O9	390.09508	100363-93-7	knapsack	NA	NA
+FL5FELNS0010	5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone	C19H18O9	390.09508	80496-65-7	knapsack	NA	NA
+FL5FFGNS0004	Hibiscetin 3,7,8,4'-tetramethyl ether	C19H18O9	390.09508	71149-60-5	knapsack	NA	NA
+FL5FFGNS0005	Hibiscetin 3,8,3',4'-tetramethyl ether	C19H18O9	390.09508	21634-47-9	knapsack	NA	NA
+FL5FFLNS0006	5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone	C19H18O9	390.09508	103462-30-2	knapsack	NA	NA
+FL5FGCNS0008	5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone;5,4',5'-Trihydroxy-3,6,7,8-tetramethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	81943-52-4	knapsack	NA	NA
+FL5FGCNS0009	5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	58130-91-9	knapsack	NA	NA
+FL5FGCNS0010	5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone	C19H18O9	390.09508	99816-53-2	knapsack	NA	NA
+FL5FGCNS0011	5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone	C19H18O9	390.09508	142846-75-1	knapsack	NA	NA
+FL5FGCNS0012	3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	113757-62-3	knapsack	NA	NA
+FL5FGCNS0013	3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone	C19H18O9	390.09508	158437-62-8	knapsack	NA	NA
+FL5FGCNS0026	3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,8-trihydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C19H18O9	390.09508	220603-94-1	knapsack	NA	NA
+FL5FGLNS0001	5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone	C19H18O9	390.09508	70368-15-9	knapsack	NA	NA
+FLIFHXNS0002	Clitoriacetal	C19H18O9	390.09508	64461-44-5	knapsack	NA	NA
+MJ052562	1,7-Dihydroxyxanthone; 7-O-?-D-Glucopyranoside 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052563	2',3',4',5,6,6',7-Heptahydroxyflavone; 2',3',6,7-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052564	2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',6-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052565	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052566	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',6,7-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052567	2',3,4',5,5',7,8-Heptahydroxyflavone; 3,5',7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052568	2',3,4',5,6,7,8-Heptahydroxyflavone; 3,6,7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052569	2',4',5,5',6,7,8-Heptahydroxyflavone; 5',6,7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052570	3',4',5,5',6,7,8-Heptahydroxyflavone; 4',5',6,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052571	3',4',5,5',6,7,8-Heptahydroxyflavone; 4',6,7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052572	3,3',4',5,5',6,7-Heptahydroxyflavone; 3',4',6,7-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052573	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',6-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052574	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',7-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052575	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5',6-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052576	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,4',6,7-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052577	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',5',8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052578	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,4',7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052579	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052580	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',6,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052581	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,4',6,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052582	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,4',7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052583	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,6,7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052584	3,3',4',5,6,7,8-Heptahydroxyflavone; 4',6,7,8-Tetra-Me ether 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052585	Clitoriacetal 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052586	Cryptothamnolic acid 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052587	Dissectic acid 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052588	Echinocarpic acid 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052589	Osoic acid; 3-Me ether, 2'-Ac, 1-Me ester 	C19H18O9	390.095082	NA	MeJP	NA	NA
+MJ052590	Squamatic acid 	C19H18O9	390.095082	NA	MeJP	NA	NA
+C08543	Dopaxanthin	C18H18N2O8	390.1063	NA	KEGG	NA	NA
+MJ052591	Dopaxanthin 	C18H18N2O8	390.106315	NA	MeJP	NA	NA
+HMDB12221	Dopaxanthin	C18H18N2O8	390.106323	NA	HMDB2010	NA	NA
+CJneg0581	p-Hydroxyhippuric acid [(2M-H)]-	C18H17N2O8	390.106825	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0582	?-hydroxyhippuric acid [(2M-H)]-	C18H17N2O8	390.106825	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0581	p-Hydroxyhippuric acid [(2M-H)]-	C18H17N2O8	390.106825	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0582	?-hydroxyhippuric acid [(2M-H)]-	C18H17N2O8	390.106825	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ052592	1-[7-(2,4-Dihydroxy-6-methylbenzoyl)-8-hydroxynaphtho[1,8-bc]pyran-2-yl]-2-propanone 	C23H18O6	390.110338	NA	MeJP	NA	NA
+MJ052593	Celabaquinone 	C23H18O6	390.110338	NA	MeJP	NA	NA
+MJ052594	Celebaquinone 	C23H18O6	390.110338	NA	MeJP	NA	NA
+MJ052595	Isocelabaquinone 	C23H18O6	390.110338	NA	MeJP	NA	NA
+C09788	Monotropein	C16H22O11	390.1162	NA	KEGG	NA	NA
+MJ052596	Eustomoside 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052597	Forsythide 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052598	Gardenosidic acid 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052599	Kingiside; Parent acid 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052600	Monotropein 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052601	Scandoside 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052602	Theveside 	C16H22O11	390.116211	NA	MeJP	NA	NA
+MJ052603	Lidocaine; Ethiodide 	C16H27IN2O	390.116806	NA	MeJP	NA	NA
+MJ052604	Riboflavine; 5'-Carboxylic acid 	C17H18N4O7	390.117548	NA	MeJP	NA	NA
+PJ000793	GPCD 	C14H22N4O7S	390.1209	NA	PeJP	NA	NA
+MJ052605	Camptothecin, Ac 	C22H18N2O5	390.121571	NA	MeJP	NA	NA
+MJ052606	Sclerotiorin 	C21H23ClO5	390.123401	NA	MeJP	NA	NA
+3121	a1-chain of collagen fr,: 435-438	DGEA	390.1269	celiac toxic	Inhouse_peptide	NA	peptide
+MJ052607	Ambutonium(1+); Bromide 	C20H27BrN2O	390.130676	NA	MeJP	NA	NA
+FL6FAAGS0001	Apigeniflavan 5-O-xyloside	C20H22O8	390.13146	61402-86-6	knapsack	NA	NA
+FLICQUNS0008	Abruquinone B;6,7,8,3',4'-Pentamethoxyisoflavanquinone	C20H22O8	390.13146	71593-09-4	knapsack	NA	NA
+MJ052608	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Me ether 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052609	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl)(E-) 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052610	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052611	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-?-D-Glucopyranoside 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052612	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052613	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-?-D-Glucopyranoside 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052614	10-Hydroxyloganic acid; Aglycone, 10-O-(4-hydroxycinnamoyl)(E-), Me ester 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052615	15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052616	15,16-Epoxy-4,6-dihydroxy-2,13(16),14-clerodatriene-18,19:20,12-diolide, 2?,3?-Epoxide 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052617	15,16-Epoxy-4,8,10-trihydroxy-1,13(16),14-clerodatriene-17,12:18,19-diolide 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052618	15-Methoxycarbonylnagilactone D 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052619	2,3:15,16-Diepoxy-4,10-dihydroxy-13(16),14-clerodadiene-1,18:12,17-diolide 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052620	2-Glucosyl-3,4',5-trihydroxystilbene 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052621	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052622	3,10:11,13-Diepoxy-8,15-dihydroxy-2,4-germacradien-12,6-olide, 8-Angeloyl 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052623	3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 9-angeloyl 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052624	4',5,7-Trihydroxyflavan, 5-O-?-D-Xylopyranoside 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052625	4-Glucosyl-3,4',5-trihydroxystilbene 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052626	6,6'-Dimethyl-2,2',3,3',4,4',5,5'-biphenyloctol; 2,2',5,5'-Tetra-Me, 3,4:3',4'-bis(methylene) ether 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052627	8,16-Dihydroxy-1,3,13-clerodatriene-17,12:18,6-diolid-15-oic acid 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052628	Abruquinone A, 8-Methoxy 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052629	Arizonin C3 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052630	Atranorin; 9-Alcohol, 4-Me ether 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052631	Cordyanhydride A 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052632	Jugalinone 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052633	Leprolomin 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052634	Nubilactone A 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052635	Prinsepiol 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052636	Salicin; 2'-Benzoyl 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052637	Salicin; 6'-Benzoyl 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052638	Saudinolide; 2,3-Dihydro 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052639	Subsekikaic acid 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MJ052640	Thujastandin 	C20H22O8	390.131467	NA	MeJP	NA	NA
+MetaCyc03333	piceid [5,4'-dihydroxystilbene-3-O-&beta;-D-glucopyranoside;]	C20H22O8	390.131468	NA	metacyc	NA	NA
+C10275	Piceid	C20H22O8	390.1315	NA	KEGG	NA	NA
+C10823	Populin	C20H22O8	390.1315	NA	KEGG	NA	NA
+PJ000794	NEE 	C14H22N4O9	390.1387	NA	PeJP	NA	NA
+MJ052641	7,8-Dihydroxy-1-methyl-?-carboline; O7-Me, 8-O-?-D-glucopyranoside 	C19H22N2O7	390.142701	NA	MeJP	NA	NA
+FLNAA9NP0001	6-Butyryl-5-hydroxy-4-phenylseselin	C24H22O5	390.14672	80752-02-9	knapsack	NA	NA
+FLNAA9NP0009	Mesuagin;5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin	C24H22O5	390.14672	21721-08-4	knapsack	NA	NA
+MJ052642	5-Hydroxy-8,8-dimethyl-6-(1-oxobutyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C24H22O5	390.146723	NA	MeJP	NA	NA
+MJ052643	Mesuagin 	C24H22O5	390.146723	NA	MeJP	NA	NA
+PJ000795	GSNN 	C13H22N6O8	390.1499	NA	PeJP	NA	NA
+MJ052644	3-(3,4,5-Trihydroxyphenyl)-1,2-propanediol; 3',4'-Di-Me ether, 1-O-?-D-glucopyranoside 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052645	Adoxosidic acid; Me ester 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052646	Ajugol; 6-Ac 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052647	Ajugol; 6-Epimer, 6-Ac 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052648	Ajugol; 8-Ac 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052649	Harpagide; 6-Deoxy, 8-Ac 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052650	Loganic acid; 8-Epimer, Me ester 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052651	Loganic acid; Me ester 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052652	Mussaenosidic acid; 1,5,9-Triepimer, Me ester 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052653	Mussaenosidic acid; Me ester 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052654	Penstemonoside 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052655	Secologanol 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MJ052656	Loganin 	C17H26O10	390.152597	NA	MeJP	NA	NA
+MetaCyc03334	loganin []	C17H26O10	390.152597	18524-94-2	metacyc	NA	NA
+C01433	Loganin	C17H26O10	390.1526	NA	KEGG	NA	NA
+C01437	Met-Xaa	C7H13N2O3SR	390.1526	NA	KEGG	NA	NA
+PJ000796	GEW 	C18H22N4O6	390.154	NA	PeJP	NA	NA
+PJ000797	GSPM 	C15H26N4O6S	390.1573	NA	PeJP	NA	NA
+MJ052657	4-(Methoxymethyl)-6-(phenylmethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid; Et ester 	C23H22N2O4	390.157957	NA	MeJP	NA	NA
+MJ052658	Dehydronormacrostomine 	C23H22N2O4	390.157957	NA	MeJP	NA	NA
+MJ052659	Amadinone; 17-Ac 	C22H27ClO4	390.159787	NA	MeJP	NA	NA
+MJ052660	Antibiotic FO 2338; Antibiotic FO 2338C 	C22H27ClO4	390.159787	NA	MeJP	NA	NA
+MJ052661	Antibiotic FO 2338; Antibiotic FO 2338D 	C22H27ClO4	390.159787	NA	MeJP	NA	NA
+MJ052662	Isochromophilone IIa 	C22H27ClO4	390.159787	NA	MeJP	NA	NA
+MetaCyc03335	1, 4-cyclohexanebis (methylamine), N,N'-bis(o- chlorobenzyl)-, dihydrochloride, trans- [benzylamine, N,N'-(1, 4-cyclohexylenedimethylene)bis(2-chloro-, dihydrochloride, (E)-;1, 4-cyclohexanebis (methylamine), N,N'-bis(o-chlorobenzyl)-, dihydrochloride, trans-;1, 4-cyclohexanebis(methylamine), N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)-;1,4-cyclohexanebis(methylamine), N, N'-bis(o-chlorobenzyl)-, dihydrochloride;1,4-cyclohexanedimethanamine, N, N'-bis[ (2-chlorophenyl)methyl] -, dihydrochloride, trans-;trans 1,4-bis[[ (2-dichlorobenzyl)amino]ethyl]cyclohexane dichlorhydrate;trans-1, 4-bis(2-chlorobenzylaminomethyl)cyclohexane dihydrochloride;trans-1,4-bis(2-dichlorobenzylaminoethyl)cyclohexane hydrochloride;trans-N,N'-(1, 4-cyclohexylenedimethylene)bis[(2-chlorobenzyl) amine] dihydrochloride;trans-N,N'-bis(2-chlorobenzyl)-1, 4-cyclohexanebis(methylamine) dihydrochloride;]	C22H28N2CL2	390.162954	NA	metacyc	NA	NA
+HMDB01133	trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane 	C22H28Cl2N2	390.16296	http://www.hmdb.ca/metabolites/HMDB01133	HMDB	NA	NA
+HMDB01133	trans-1,4-bis(2-Chlorobenzaminomethyl)cyclohexane 	C22H28Cl2N2	390.16296	HMDB01133	PFEM_hmdb_metabocards_official	NA	NA
+3715	NA	YSQQQQ	390.1635	MH2+	Inhouse_peptide	NA	peptide
+MJ052663	Flibanserin 	C20H21F3N4O	390.166745	NA	MeJP	NA	NA
+MJ052664	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 3-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052665	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052666	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052667	1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, O1-Et, 8-O-(2-methyl-2-propenoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052668	1,6,10-Trihydroxyfuranoeremophilan-9-one, 1-(2-Methyl-2-propenoyl), 6-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052669	1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-(2-Methyl-2-propenoyl), 1-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052670	1-(3-Methoxy-4,5-methylenedioxyphenyl)-1,2-propanediol, Diangeloyl 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052671	10-Hydroxy-3,15,17-sphenolobatrien-12,13-olide-11,19-dioic acid, 11-Me ester 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052672	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, Me ester 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052673	15,16-Epoxy-2-hydroxy-1-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, Me ester 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052674	15,16-Epoxy-6,19-dihydroxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, Me ester 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052675	15-Hydroxy-4,13-clerodadiene-16,15:17,12-diolid-18-oic acid, Me ester 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052676	2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Et, 8-(2-methylpropenoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052677	2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Me, 8-(3-methyl-2-butenoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052678	2,14:4,5-Diepoxy-8,14-dihydroxy-1(10),11(13)-germacradien-12,6-olide, O14-Me, 8-tigloyl 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052679	2,3-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(Methylpropanoyl),14-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052680	2,3-Epoxy-14,15-dihydroxy-1,3,11(13)-elematrien-12,8-olide, 15-(Methylpropanoyl), 14-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052681	2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 2-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052682	2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.5]decane-3,4,8-triol; 8-Ac, 3-O-(3-methylbutanoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052683	2-(3,4-Dihydroxyphenyl)-5-(1,2-dihydroxypropyl)-2,3-dihydro-6-hydroxy-3-methylbenzofuran, 5'-Hydroxy, 3',4',5-tri-Me ether 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052684	2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol, 3',3''-Di-Me ether 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052685	3',4,4',5,5',9,9'-Heptahydroxy-2,7'-cyclolignan, 3',5,5'-Tri-Me ether 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052686	3,10-Epoxy-3,8,15-trihydroxy-1,4,11(13)-germacratrien-12,6-olide, 3-Me ether, 8-angeloyl 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052687	3,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,8-olide; 15-(Methylpropanoyl), 3-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052688	3,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,8-olide; 3-(Methylpropanoyl), 15-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052689	3,3',4,4',5',9-Hexahydroxy-7,9'-epoxylignan, 3,3',5'-Tri-Me ether 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052690	3,3',4,4',5,9,9'-Heptahydroxy-2,7'-cyclolignan, 3,3',5-Tri-Me ether 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052691	3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052692	4,5-Epoxy-8,13-dihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(Methylpropenoyl), 13-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052693	4,8,13-Trihydroxy-7(11)-bourbonen-12,6-olide, 8-(Methylpropenoyl),13-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052694	4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-(Methylpropanoyl), 9-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052695	5,9,10-Trihydroxy-14-oxo-7-marasmen-15,5-olide, 10-(2E-Hexenoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052696	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-(2-Methylpropanoyl), 8-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052697	6-Hydroxy-?7,(14)-caulerpenyne 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052698	8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 10-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052699	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropenoyl), 8-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052700	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropenoyl), 15-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052701	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 15-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052702	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(2-Acetoxymethyl-2-propenoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052703	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 15-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052704	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052705	8-(1-Hydroxy-2-oxo-3-methylbutyl)-7-methoxy-2H-1-benzopyran-2-one, 5-Methoxy, O-(3-methylbutanoyl) 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052706	9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(2-methylpropanoyl), 8-Ac 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052707	Busaliol 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052708	Caulerpenyne; 10?,11?-Epoxide 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052709	Clementein 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052710	Lanugone D 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052711	Lanugone N; 6-Ketone, O-de-Me 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052712	Liriolignal 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052713	Lunatoic acid B 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052714	Neocynaponogenin A 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052715	Rosmic acid 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052716	Strobilurin N 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052717	Taxifolial C 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052718	Zopfiellin 	C21H26O7	390.167853	NA	MeJP	NA	NA
+MJ052719	?-Intermedianol; 7-O-De-Me 	C21H26O7	390.167853	NA	MeJP	NA	NA
+C09412	Erioflorin acetate	C21H26O7	390.1679	NA	KEGG	NA	NA
+PJ000798	WW 	C22H22N4O3	390.1692	NA	PeJP	NA	NA
+C06492	Compound II(R/S)	C21H27ClN2O3	390.171	NA	KEGG	NA	NA
+MJ052720	Serylvalylglycylglutamic acid 	C15H26N4O8	390.175063	NA	MeJP	NA	NA
+MetaCyc03336	L-Ala-&gamma;-D-Glu-Dap [L-Ala-&gamma;-D-Glu-diaminopimelate;]	C15H26N4O8	390.175064	NA	metacyc	NA	NA
+MetaCyc03337	L-Ala-D-Glu-meso-A2pm []	C15H26N4O8	390.175064	NA	metacyc	NA	NA
+PJ000799	DKE 	C15H26N4O8	390.1751	NA	PeJP	NA	NA
+MJ052721	Efletirizine 	C21H24F2N2O3	390.175499	NA	MeJP	NA	NA
+3341	ACE inhibitor	FQP	390.178	celiac toxic	Inhouse_peptide	NA	peptide
+MJ052722	Nitrosporin 	C20H26N2O6	390.179086	NA	MeJP	NA	NA
+C11573	6,8-Di-DMA-chrysin	C25H26O4	390.1831	NA	KEGG	NA	NA
+C11574	6-Geranylchrysin	C25H26O4	390.1831	NA	KEGG	NA	NA
+C11575	8-Geranylchrysin	C25H26O4	390.1831	NA	KEGG	NA	NA
+FL1C1ANI0018	Lespeol	C25H26O4	390.1831	74174-28-0	knapsack	NA	NA
+FL1C1ANP0012	Paratocarpin C	C25H26O4	390.1831	161099-58-7	knapsack	NA	NA
+FL1C1ANP0013	Anthyllisone;5-Prenyl-6'',6''-dimethylpyrano[2'',3'':4,3]-2',4'-dihydroxychalcone	C25H26O4	390.1831	178734-43-5	knapsack	NA	NA
+FL1C1ANP0016	Paratocarpin B;3-Prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxychalcone	C25H26O4	390.1831	161099-57-6	knapsack	NA	NA
+FL1DA9NR0001	Rubranine	C25H26O4	390.1831	31759-29-2	knapsack	NA	NA
+FL2F1ANP0002	Abyssinone III	C25H26O4	390.1831	77263-09-3	knapsack	NA	NA
+FL2F1ANP0005	Euchrenone a5	C25H26O4	390.1831	125140-20-7	knapsack	NA	NA
+FL2F1ANP0008	Dinklagin A;7-Hydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone	C25H26O4	390.1831	487010-46-8	knapsack	NA	NA
+FL2F1ANP0009	Shinflavanone;(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C25H26O4	390.1831	157414-03-4	knapsack	NA	NA
+FL2FA9NP0002	Fulvinervin A	C25H26O4	390.1831	99877-71-1	knapsack	NA	NA
+FL3F1ANI0001	Licoflavone B;Prenyllicoflavone A;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O4	390.1831	91433-17-9	knapsack	NA	NA
+FLIC1LNP0009	Hispaglabridin B	C25H26O4	390.1831	68978-02-9	knapsack	NA	NA
+FLID1ANP0004	Folitenol	C25H26O4	390.1831	26992-37-0	knapsack	NA	NA
+FLID1ANP0005	Folinin	C25H26O4	390.1831	26992-36-9	knapsack	NA	NA
+FLID1ANP0007	Erybraedin D;(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan	C25H26O4	390.1831	119269-72-6	knapsack	NA	NA
+FLID1ANP0008	Erybraedin B;(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,10]pterocarpan	C25H26O4	390.1831	119269-75-9	knapsack	NA	NA
+FLIDWXNI0001	Erycristagallin;3,9-Dihydroxy-2,10-diprenylpterocarpene	C25H26O4	390.1831	92533-56-7	knapsack	NA	NA
+MJ052723	3,9-Dihydroxy-2,10-diprenylpterocarpene 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052724	4',7-Dihydroxy-3',6-diprenylflavone 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052725	4',7-Dihydroxy-3',8-diprenylisoflavone 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052726	4',7-Dihydroxyisoflavone; 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052727	Abyssinone III 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052728	Anthyllisone 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052729	Erybraedin B 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052730	Erybraedin D 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052731	Euchrenone a2, 5-Deoxy 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052732	Euchrenone a5 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052733	Folinin 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052734	Folitenol 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052735	Fulvinervin A 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052736	Gangetin; Demethoxy 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052737	Glyinflanin J 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052738	Glyinflanin K 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052739	Hispaglabridin B 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052740	Lespeol 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052741	Lupinifolin, 4'-Deoxy 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052742	Paratocarpin B 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052743	Paratocarpin C 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052744	Rubranine 	C25H26O4	390.183109	NA	MeJP	NA	NA
+MJ052745	Fluocortin 	C22H27FO5	390.184252	NA	MeJP	NA	NA
+MJ052746	Fluprednidene 	C22H27FO5	390.184252	NA	MeJP	NA	NA
+MJ052747	Meclozine 	C25H27ClN2	390.186276	NA	MeJP	NA	NA
+C07116	Meclizine	C25H27ClN2	390.1863	NA	KEGG	NA	NA
+PJ000800	SER 	C14H26N6O7	390.1863	NA	PeJP	NA	NA
+PJ000801	SVW 	C19H26N4O5	390.1903	NA	PeJP	NA	NA
+MJ052748	Hoquizil 	C19H26N4O5	390.190319	NA	MeJP	NA	NA
+PJ000802	LQM 	C16H30N4O5S	390.1937	NA	PeJP	NA	NA
+MJ052749	Antibiotic LL-Z 1272?; 5-Chloro 	C23H31ClO3	390.196172	NA	MeJP	NA	NA
+MJ052750	1-[6-Amino-2-(1-hexenyl)-9H-purin-9-yl]-1-deoxy-N-ethyl-?-D-ribofuranuronamide 	C18H26N6O4	390.201553	NA	MeJP	NA	NA
+HMDB05093	20-trifluoromethyl-leukotriene B4	C20H29F3O4	390.20178	http://www.hmdb.ca/metabolites/HMDB05093	HMDB	NA	NA
+HMDB05093	20-trifluoromethyl-leukotriene B4	C20H29F3O4	390.20178	HMDB05093	PFEM_hmdb_metabocards_official	NA	NA
+MJ052751	20,20,20-Trifluoro-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid 	C20H29F3O4	390.201794	NA	MeJP	NA	NA
+C08771	Neoquassin	C22H30O6	390.2042	NA	KEGG	NA	NA
+C09491	Laserolide	C22H30O6	390.2042	NA	KEGG	NA	NA
+C10690	Megaphone	C22H30O6	390.2042	NA	KEGG	NA	NA
+C17051	Picrasin D	C22H30O6	390.2042	NA	KEGG	NA	NA
+MJ052752	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3-Et ether, 8-angeloyl 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052753	1,11-Dihydroxy-3-eudesmen-12,6-olide, 11-(3-Methyl-2-butenoyl), 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052754	1,11-Dihydroxy-3-eudesmen-12,6-olide, 11-Angeloyl, 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052755	1,11-Dihydroxy-4(15)-eudesmen-12,6-olide, 11-Angeloyl, 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052756	1,3,7,14-Tetrahydroxy-16-kauren-15-one, 3-Ketone, 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052757	1,6,14-Trihydroxy-16-kaurene-7,15-dione, 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052758	1,6-Dihydroxyfuranoeremophilan-9-one, 6-(3-Methylbutanoyl), 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052759	1,7,14,18-Tetrahydroxy-16-kauren-15-one, 18-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052760	1,9-Dihydroxy-3-eudesmen-12,6-olide, 1-Angeloyl, 9-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052761	11,12,16-Trihydroxy-8,11,13-abietatrien-20-oic acid; 16-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052762	11,12-Epoxy-8,13-dihydroxy-3,6,15(17)-cembratrien-16,2-olide, 13-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052763	12-Hydroxy-8,12-abietadiene-11,14-dione; 7?-Acetoxy, 20-hydroxy 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052764	13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone, 3-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052765	15,16-Epoxy-17,19-dihydroxy-3,13(16),14-clerodatrien-18-oic acid; ent-form, 17-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052766	15,16-Epoxy-6,7,9-trihydroxy-13(16),14-labdadien-19-oic acid, 19?6 Lactone, 7-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052767	15,16-Epoxy-6,9,20-trihydroxy-13(16),14-labdadien-19-oic acid, 19?20 Lactone, 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052768	16,17-Dihydroxy-7-acritoconfertenoic acid; 16-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052769	16-Kaurene-1,3,6,11,15-pentol, 6,15-Diketone, 3-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052770	17-Hydroxy-2,6,10,14-phytatetraen-1,20-olid-18-oic acid, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052771	17-Hydroxy-2,6,10,14-phytatetraen-20,1-olid-18-oic acid, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052772	2,7-Dihydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid, 7-Ac, 13,14-didehydro (E-) 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052773	2-Hydroxy-3,13-clerodadien-15,16-olid-17-oic acid, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052774	2-Hydroxy-3,13-clerodadien-16,15-olid-17-oic acid, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052775	3,3',4,4',5,5'-Hexahydroxylignan, 3,3',5,5'-Tetra-Me ether 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052776	3,3',4,4',7,7'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052777	3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052778	3,4-Dihydroxy-7(11)-eudesmen-12,8-olide, 3-Angeloyl, 4-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052779	3,4-Epoxy-13,18-dihydroxy-7,11,15(17)-cembratrien-16,14-olide; 18-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052780	3,6-Dihydroxyfuranoeremophilan-9-one, 6-(2-Methylbutanoyl), 3-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052781	3,7,12,14-Tetrahydroxy-16-kauren-15-one, 3-Ketone, 12-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052782	3,7,14-Trihydroxy-16-kaurene-12,15-dione, 3-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052783	3,9-Dihydroxy-4,11(13)-germacradien-12,6-olide, 9-Angeloyl, 3-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052784	3-(3,6-Dihydro-3-hydroxy-6-oxo-2H-pyran-2-yl)-2-propenoic acid, 3-O-(4,6-Dimethyl-2,4-dodecadienoyl)(2E,4E,6S-) 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052785	3-Hydroxy-13-halimene-16,15:20,5-diolide, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052786	4,18:15,16-Diepoxy-1,19-dihydroxy-13(16),14-clerodadien-6-one, 1-Ketone, 6?-alcohol, 19-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052787	4,18:15,16-Diepoxy-1,19-dihydroxy-13(16),14-clerodadien-6-one, 19-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052788	4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052789	6,7,11,12-Tetrahydroxy-8,11,13-abietatrien-20,6-olide, 6,7-Di-Me ether 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052790	6,7,12-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052791	7,12,16-Trihydroxy-8,12-abietadiene-11,14-dione, 16-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052792	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052793	7,20-Epoxy-1,7,11-trihydroxy-16-kauren-15-one, 11-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052794	7,20-Epoxy-1,7,14-trihydroxy-16-kauren-15-one, 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052795	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-Ketone, 15-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052796	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 15-Ketone, 1-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052797	7,20-Epoxy-16-kaurene-6,7,11,15-tetrol, 15-Ketone, 11-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052798	7,20-Epoxy-6,7,15-trihydroxy-16-kauren-11-one, 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052799	7,20-Epoxy-6,7,19-trihydroxy-16-kauren-15-one, 19-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052800	7-Hydroxy-18-oxo-3,13-clerodadien-16,15-olide, 18-Carboxylic acid, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052801	8,11-Dihydroxy-1(10),4-germacradien-12,6-olide, 11-Angeloyl, 8-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052802	8,11-Dihydroxy-1,3-elemadien-12,6-olide, 11-Angeloyl, 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052803	8,11-Epidioxy-7-hydroxy-3,12,15(17)-cembratrien-16,2-olide, Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052804	8,12-Dihydroxy-4-isocedren-15,14-olide; 8-O-(3-Methylbutanoyl), 12-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052805	Alcyonolide 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052806	Coleon P 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052807	Coleon Q 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052808	Enmedol 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052809	Fukinolidiol; 1-Angeloyl, 9-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052810	Fukinolidiol; 1-Tigloyl, 9-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052811	Furanoeremophilane-1,6,10-triol, 1-Angeloyl, 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052812	Isoapetalic acid; 3,4-Dihydro 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052813	Jaspiferal G; Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052814	Lanugone E 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052815	Lanugone F; 7-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052816	Longirabdolide B; 11-Deoxy, 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052817	Longirabdolide E; 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052818	Maoecrystal L 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052819	Megaphone 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052820	Nigakihemiacetal B 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052821	Nigakilactone A; 11,12-Methylene ether 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052822	Nodosin; O6-Et 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052823	Phlebiachrysoic acid A 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052824	Piperenone; 6?-Alcohol 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052825	Pregomisin 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052826	Rosmanol; 14-Methoxy, 7-Me ether 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052827	Shikoccin; 1?-Hydroxy 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052828	Shikoccin; 8?,14?-Epoxide 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052829	Siphonodictyal E 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052830	Trichaurantin; 6-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+MJ052831	Trichoaurantianolide C; 8-Ac 	C22H30O6	390.204238	NA	MeJP	NA	NA
+PJ000803	CLR 	C15H30N6O4S	390.2049	NA	PeJP	NA	NA
+PJ000804	GTTL 	C16H30N4O7	390.2115	NA	PeJP	NA	NA
+C15310	6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-dione acetate	C23H31FO4	390.2206	NA	KEGG	NA	NA
+MJ052832	Dimesone 	C23H31FO4	390.220637	NA	MeJP	NA	NA
+C13707	RU-0211	C20H32F2O5	390.2218	NA	KEGG	NA	NA
+MJ052833	5,11-Epoxy-7-megastigmene-3,9-diol, 7,8-Dihydro, 3-O-?-D-glucopyranoside 	C19H34O8	390.225368	NA	MeJP	NA	NA
+MJ052834	6,9-Epoxy-3,5-megastigmanediol; 3-O-?-D-Glucopyranoside 	C19H34O8	390.225368	NA	MeJP	NA	NA
+MJ052835	7-Megastigmene-3,6,9-triol, 9-O-?-D-Glucopyranoside 	C19H34O8	390.225368	NA	MeJP	NA	NA
+MJ052836	7-Megastigmene-3,6,9-triol, 3-O-?-D-Glucopyranoside 	C19H34O8	390.225368	NA	MeJP	NA	NA
+MJ052837	7-Megastigmene-3,6,9-triol, 9-O-?-D-Glucopyranoside 	C19H34O8	390.225368	NA	MeJP	NA	NA
+MJ052838	7-Megastigmene-5,6,9-triol, 5-O-?-D-Glucopyranoside 	C19H34O8	390.225368	NA	MeJP	NA	NA
+C17450	Rehmaionoside A	C19H34O8	390.2254	NA	KEGG	NA	NA
+C17451	Rehmaionoside B	C19H34O8	390.2254	NA	KEGG	NA	NA
+PJ000805	PKF 	C20H30N4O4	390.2267	NA	PeJP	NA	NA
+PJ000806	LKM 	C17H34N4O4S	390.2301	NA	PeJP	NA	NA
+C13963	Mevastatin	C23H34O5	390.2406	NA	KEGG	NA	NA
+C15404	3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate	C23H34O5	390.2406	NA	KEGG	NA	NA
+MJ052839	1,3,14-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052840	1,9-Heptadecadiene-11,13-diyn-8-ol, O-L-Rhamnoside 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052841	15-Hydroxy-9-oxo-5,8(12),13-prostatrienoic acid, Ac, Me ester 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052842	16,17,19-Kauranetriol, 17-Carboxylic acid, 19-Aldehyde, 16-Ac, Me ester 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052843	16,17,19-Kauranetriol, 19-Aldehyde, 17-carboxylic acid, 16-Ac, Me ester 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052844	16,18-Dihydroxy-3,13-clerodadien-15,16-olide, 16-Me ether, 18-Ac 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052845	16,21-Epoxy-3,14-dihydroxycardanolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052846	2,3,14-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052847	2,3,4-Trihydroxypregn-16-en-20-one, 2-Ac 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052848	2,3,4-Trihydroxypregn-16-en-20-one, 4-Ac 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052849	3,11,14-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052850	3,12,14-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052851	3,14,16-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052852	3,14,19-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052853	3,5,14-Trihydroxycard-20(22)-enolide 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052854	4'-O-Geranylsinapyl alcohol; ?7''-Isomer, 6''-ethoxy 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052855	4,10(14)-Oplopadiene-3,8,9-triol, 3-Ac, 9-(3-Methyl-2-pentenoyl) 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052856	4,9-Dihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl), 4-Ac 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052857	5,14-Dihydroxy-19-vouacapanoic acid, 14-Et ether, Me ester 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052858	5,8,9-Daucanetriol, 9-(4-Methoxybenzoyl) 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052859	7,13-Corymbidienolide; ?8,17-Isomer, 7?-hydroxy 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052860	7,20-Epoxy-16-kaurene-1,7,11,15-tetrol, 1,11-O-Isopropylidene 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052861	9,15-Dihydroxy-16-kauren-19-oic acid, 9-Ac, Me ester 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052862	Antibiotic LL-Z 1272?; 10',11'-Dihydro, 10?,11-dihydroxy 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052863	Bryophollenone 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052864	Compactin? 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052865	Compactin? 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052866	Dactylospongenone A 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052867	Gracilin A 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052868	Otogirone 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052869	Parvisporin 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052870	Penostatin G 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052871	Peroxyacarnoic acid A; 21,22-Didehydro 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052872	Plakinidone 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052873	Plakortolide F 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052874	Shahamin A 	C23H34O5	390.240624	NA	MeJP	NA	NA
+MJ052875	Ipazilide 	C24H30N4O	390.241961	NA	MeJP	NA	NA
+MJ052876	Oxamarin 	C22H34N2O4	390.251857	NA	MeJP	NA	NA
+MJ052877	Bis(3,4,7-trihydroxy-3,7-dimethyl-1-octen-6-yl) ether 	C20H38O7	390.261753	NA	MeJP	NA	NA
+MJ052878	Chilocorine 	C26H34N2O	390.267113	NA	MeJP	NA	NA
+C03690	Bis(2-ethylhexyl)phthalate	C24H38O4	390.277	NA	KEGG	NA	NA
+C11637	3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate	C24H38O4	390.277	NA	KEGG	NA	NA
+C14227	Di-n-octyl phthalate	C24H38O4	390.277	NA	KEGG	NA	NA
+C14577	Diisooctyl phthalate	C24H38O4	390.277	NA	KEGG	NA	NA
+C15375	Apocholic acid	C24H38O4	390.277	NA	KEGG	NA	NA
+HMDB00328	12-Ketodeoxycholic acid	C24H38O4	390.277008	NA	HMDB2010	NA	NA
+HMDB00460	7-Hydroxy-3-oxocholanoic acid	C24H38O4	390.277008	NA	HMDB2010	NA	NA
+HMDB00467	Nutriacholic acid	C24H38O4	390.277008	NA	HMDB2010	NA	NA
+HMDB00503	7a-Hydroxy-3-oxo-5b-cholanoic acid	C24H38O4	390.277008	NA	HMDB2010	NA	NA
+MJ052879	1,2-Benzenedicarboxylic acid; Bis(2,5-dimethylhexyl) ester 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052880	1,2-Benzenedicarboxylic acid; Bis(2-ethylhexyl) ester 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052881	16-Hydroxy-8(17),13-labdadien-15-oic acid, O-(2-Methylpropanoyl) 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052882	17-(3,4-Methylenedioxyphenyl)heptadecanoic acid 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052883	2,3-Dihydro-5,8-dihydroxy-2-pentadecyl-4H-1-benzopyran-4-one 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052884	2,6,10,14-Phytatetraene-1,20-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052885	2,7-Dolabelladiene-10,18-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052886	2,9:3,16-Diepoxy-6-asbestinen-11-ol, Butanoyl 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052887	2-Heptadecyl-6-hydroxybenzoic acid; 16'-Hydroxy, 8',9'-didehydro(Z-) 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052888	2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy, 10',11'-didehydro 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052889	2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy, 8',9'-didehydro(Z-) 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052890	3,12-Clerodadiene-15,16-diol, 15,16-Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052891	3,12-Clerodadiene-15,16-diol, Dialdehyde 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052892	3,13-Clerodadiene-15,18-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052893	3,7-Dihydroxychol-4-en-24-oic acid 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052894	3,7-Dihydroxychol-5-en-24-oic acid 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052895	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Tetradecyl ester 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052896	3-Heptadecyl-2,5-dihydroxybenzoquinone; 10',11'-Didehydro, 5-Me ether 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052897	3-Heptadecyl-2,5-dihydroxybenzoquinone; 8',9'-Didehydro, 5-Me ether 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052898	3-Hydroxy-12-oxocholan-24-oic acid 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052899	3-Hydroxy-6-oxocholan-24-oic acid 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052900	3-Hydroxy-7-oxocholan-24-oic acid 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052901	4(18),12-Clerodadiene-15,16-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052902	6,13-Epoxy-4(18),8(19)-eunicelladiene-9,12-diol, 12-Butanoyl 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052903	6,13-Epoxy-4(18),8-eunicelladiene-3,12-diol, 12-Butanoyl 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052904	7,13(16)-Labdadiene-14,15-diol; 14?-form, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052905	7,13-Labdadien-15-ol, Methyl malonoyl ester 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052906	7,13-Labdadiene-15,16-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052907	7,13-Labdadiene-15,17-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052908	8(17),13-Labdadiene-15,19-diol, 15,19-Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052909	8(17),13-Labdadiene-7,15-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052910	8(17),14-Labdadiene-3,13-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052911	8,13-Labdadiene-15,19-diol, Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052912	9,10-Seco-1(10),8,13-labdatrien-15,16-diol, 15,16-Di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052913	Amphidinoketide I 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052914	Amphidinolide J 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052915	Amphidinolide R 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052916	Dilophol; 3?-Hydroxy, di-Ac 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052917	Homoancepsenolide 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052918	Nimbocetin 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052919	Trifarin 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052920	Trixagol; Malonyl, Me ester 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052921	Trunculin A 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052922	Trunculin E 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052923	Trunculin G 	C24H38O4	390.277009	NA	MeJP	NA	NA
+MJ052924	hidinoketide I 	C24H38O4	390.277009	NA	MeJP	NA	NA
+HMDB00328	12-Ketodeoxycholic acid	C24H38O4	390.27701	http://www.hmdb.ca/metabolites/HMDB00328	HMDB	NA	NA
+HMDB00460	7-Hydroxy-3-oxocholanoic acid	C24H38O4	390.27701	http://www.hmdb.ca/metabolites/HMDB00460	HMDB	NA	NA
+HMDB00467	Nutriacholic acid	C24H38O4	390.27701	http://www.hmdb.ca/metabolites/HMDB00467	HMDB	NA	NA
+HMDB00503	7a-Hydroxy-3-oxo-5b-cholanoic acid	C24H38O4	390.27701	http://www.hmdb.ca/metabolites/HMDB00503	HMDB	NA	NA
+MetaCyc03338	bis(2-ethylhexyl)phthalate []	C24H38O4	390.27701	117-81-7	metacyc	NA	NA
+HMDB00328	12-Ketodeoxycholic acid	C24H38O4	390.27701	HMDB00328	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00460	7-Hydroxy-3-oxocholanoic acid	C24H38O4	390.27701	HMDB00460	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00467	Nutriacholic acid	C24H38O4	390.27701	HMDB00467	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00503	7a-Hydroxy-3-oxo-5b-cholanoic acid	C24H38O4	390.27701	HMDB00503	PFEM_hmdb_metabocards_official	NA	NA
+MJ052925	Fenoctimine 	C27H38N2	390.303499	NA	MeJP	NA	NA
+MJ052926	1-Hydroxy-2,5,14-tricosatrien-4-one, Ac 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052927	1-Hydroxy-2,5,16-tricosatrien-4-one, Ac 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052928	1-Hydroxy-2,5,18-tricosatrien-4-one, Ac 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052929	15-Pimarene-9,19-diol; ent-form, 19-Pentanoyl 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052930	2-(4-Hydroxyphenyl)ethanol; 1-O-Heptadecanoyl 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052931	2-Hydroxy-6-octadecyl-1,4-benzoquinone; Me ether 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052932	3,7,12-Trihydroxy-25-homochol-24-ene 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052933	3,7,12-Trihydroxyhomochol-4-ene 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052934	3-(11-Eicosynyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone, 19',20'-Didehydro 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052935	3-(6,9-Eicosadienyl)-5-hydroxy-5-methyl-2(5H)-furanone 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052936	4-Hydroxy-3-(3-methyl-2-butenyl)-6-pentadecyl-2H-pyran-2-one 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052937	5-Hydroxy-3,4-dinorcholestane-2,5-olide 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052938	5-Hydroxy-5-(2-oxo-10-nonadecenyl)-2-cyclohexen-1-one 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052939	6-Heptadecyl-1,2,4-benzenetriol; 10',11'-Didehydro(Z-), 1,2-di-Me ether 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052940	6-Heptadecyl-1,2,4-benzenetriol; 10',11'-Didehydro(Z-), 2,4-di-Me ether 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052941	7,13-Labdadiene-3,15-diol, 15-(3-Methylbutanoyl) 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052942	Capiquinones; Capiquinone B 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052943	Goniothalamusin 	C25H42O3	390.313395	NA	MeJP	NA	NA
+MJ052944	3,20-Diaminopregn-5-ene-16,18-diol, N3,N20,N20-Tri-Me 	C24H42N2O2	390.324628	NA	MeJP	NA	NA
+MJ052945	14,17,20-Hexacosatrienoic acid 	C26H46O2	390.34978	NA	MeJP	NA	NA
+MJ052946	17,20,23-Hexacosatrienoic acid 	C26H46O2	390.34978	NA	MeJP	NA	NA
+MJ052947	5,9,17-Hexacosatrienoic acid 	C26H46O2	390.34978	NA	MeJP	NA	NA
+MJ052948	5,9,19-Hexacosatrienoic acid 	C26H46O2	390.34978	NA	MeJP	NA	NA
+MJ052949	3,20-Diaminopregnan-4-ol, N3,N3,N20,N20-Tetra-Me 	C25H46N2O	390.361014	NA	MeJP	NA	NA
+7688	ACE inhibitor from ovalbumin	FGRCVSP	390.671	MH2+	Inhouse_peptide	NA	peptide
+MJ052950	2,6-Diiodo-4-nitrophenol 	C6H3I2NO3	390.820229	NA	MeJP	NA	NA
+MJ052951	Antimony thioglycollamide 	C6H12N3O3S3Sb	390.907896	NA	MeJP	NA	NA
+MJ052952	Eudistomin H; 7-Bromo 	C15H11Br2N3	390.931972	NA	MeJP	NA	NA
+MJ052953	2-Amino-3-[[5-deoxy-5-(dimethylarsinoyl)ribofuranosyl]oxy]-1-propanesulfonic acid; (2S)-?-D-form 	C10H22AsNO8S	391.028208	NA	MeJP	NA	NA
+MJ052954	1-[(Hydroxymethyl)propyl] glucosinolate 	C11H21NO10S2	391.060687	NA	MeJP	NA	NA
+MJ052955	2-Hydroxy-2-methylpropyl glucosinolate 	C11H21NO10S2	391.060687	NA	MeJP	NA	NA
+MJ052956	3-Hydroxybutyl glucosinolate 	C11H21NO10S2	391.060687	NA	MeJP	NA	NA
+MJ052957	4-Hydroxybutyl glucosinolate 	C11H21NO10S2	391.060687	NA	MeJP	NA	NA
+C08408	Glucoconringiin	C11H21NO10S2	391.0607	NA	KEGG	NA	NA
+MJ052958	Tuvatidine 	C10H17N9O2S3	391.066732	NA	MeJP	NA	NA
+MJ052959	Benzmalecene 	C20H19Cl2NO3	391.074198	NA	MeJP	NA	NA
+MJ052960	Antibiotic A 33853 	C20H13N3O6	391.080435	NA	MeJP	NA	NA
+MJ052961	Mipitroban 	C19H19Cl2N3O2	391.085432	NA	MeJP	NA	NA
+MJ052962	7-Chloro-4-hydroxy-3-[3-[(4-methoxyphenyl)methyl]phenyl]-2(1H)-quinolone 	C23H18ClNO3	391.097521	NA	MeJP	NA	NA
+MJ052963	Tonabersat 	C20H19ClFNO4	391.098664	NA	MeJP	NA	NA
+MJ052964	Spallidamine 	C22H17NO6	391.105587	NA	MeJP	NA	NA
+MJ052965	Macarpine 	C22H18NO6(+)	391.105587	NA	MeJP	NA	NA
+CJneg0583	?-hydroxyhippuric acid [(2M-H)]- (13C)	C1713CH17N2O8	391.110225	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0584	p-Hydroxyhippuric acid [(2M-H)]- (13C)	C1713CH17N2O8	391.110225	C18rt(min)=4.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0583	?-hydroxyhippuric acid [(2M-H)]- (13C)	C1713CH17N2O8	391.110225	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0584	p-Hydroxyhippuric acid [(2M-H)]- (13C)	C1713CH17N2O8	391.110225	C18rt(min)=4.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3354	Antithrombotic peptide	DEE	391.1109	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000807	DEE 	C14H21N3O10	391.1227	NA	PeJP	NA	NA
+C10686	Glycoperine	C19H21NO8	391.1267	NA	KEGG	NA	NA
+MJ052966	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-?-L-rhamnopyranoside 	C19H21NO8	391.126716	NA	MeJP	NA	NA
+PJ000808	GSND 	C13H21N5O9	391.1339	NA	PeJP	NA	NA
+PJ000809	GGGSD 	C13H21N5O9	391.134	NA	PeJP	NA	NA
+MJ052967	Dimetotiazine 	C19H25N3O2S2	391.138818	NA	MeJP	NA	NA
+MJ052968	8-Acetonyldihydrochelerythrine; O9-De-Me 	C23H21NO5	391.141972	NA	MeJP	NA	NA
+MJ052969	Dihydrochelerythrinyl-8-acetaldehyde 	C23H21NO5	391.141972	NA	MeJP	NA	NA
+MJ052970	5-Ethoxychelerythrine 	C23H22NO5(+)	391.141972	NA	MeJP	NA	NA
+C08337	Proacaciberin	C16H25NO10	391.1478	NA	KEGG	NA	NA
+MJ052971	2-Hydroxy-3-methyl-3-butenoic acid, Nitrile, [?-L-arabinopyranosyl(1?6)-?-D-glucopyranoside] 	C16H25NO10	391.147846	NA	MeJP	NA	NA
+PJ000810	NQM 	C14H25N5O6S	391.1526	NA	PeJP	NA	NA
+MJ052972	Euxylophorine; 10-Methoxy 	C22H21N3O4	391.153206	NA	MeJP	NA	NA
+MJ052973	Oxazinine 1 	C22H21N3O4	391.153206	NA	MeJP	NA	NA
+C11622	Tetramethylrosamine	C24H24ClN2O	391.1577	NA	KEGG	NA	NA
+C11623	Triton X-100	C14H22O	391.1577	NA	KEGG	NA	NA
+C11624	Tween 20	C18H34O6	391.1577	NA	KEGG	NA	NA
+C11625	Tween 80	C24H44O6	391.1577	NA	KEGG	NA	NA
+MJ052974	Buphacetine 	C20H25NO7	391.163102	NA	MeJP	NA	NA
+MJ052975	Erucifoline; Ac 	C20H25NO7	391.163102	NA	MeJP	NA	NA
+MJ052976	Longanine; 4-Me ether, 16-oxo 	C20H25NO7	391.163102	NA	MeJP	NA	NA
+MJ052977	Narcissidine; O3-Ac, N-oxide 	C20H25NO7	391.163102	NA	MeJP	NA	NA
+PJ000811	CNR 	C13H25N7O5S	391.1638	NA	PeJP	NA	NA
+MJ052978	Linopirdine 	C26H21N3O	391.168462	NA	MeJP	NA	NA
+C13780	Linopirdine	C26H21N3O	391.1685	NA	KEGG	NA	NA
+C13781	Teicoplanin A2	C78H78Cl2N9O32R	391.1685	NA	KEGG	NA	NA
+PJ000812	GSTQ 	C14H25N5O8	391.1703	NA	PeJP	NA	NA
+PJ000813	PEF 	C19H25N3O6	391.1744	NA	PeJP	NA	NA
+C02886	S-Hexyl-glutathione	C16H29N3O6S	391.1777	NA	KEGG	NA	NA
+PJ000814	LEM 	C16H29N3O6S	391.1777	NA	PeJP	NA	NA
+MJ052979	3,4-Dihydro-5-(4-hydroxy-5-methoxy-2-methyl-1-naphthalenyl)-8-hydroxy-6-methoxy-1,3-dimethylisoquinoline 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052980	Ancistrocongolensine 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052981	Ancistroheynine A 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052982	Flavoxate 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052983	Glycofoline 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052984	Severifoline; 11-Hydroxy, N-Me 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052985	Tylohirsutinine 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+MJ052986	Yaoundamine A 	C24H25NO4	391.178358	NA	MeJP	NA	NA
+C07809	Flavoxate	C24H25NO4	391.1784	NA	KEGG	NA	NA
+C07810	Transferred to D00687	C24H25NO4	391.1784	NA	KEGG	NA	NA
+7794	Antioxidant peptide derived from egg ovalbumin	VHH	391.184	antioxidative	Inhouse_peptide	NA	peptide
+7985	synthetic peptide	HVH	391.184	hypotensive	Inhouse_peptide	NA	peptide
+MJ052987	Estatin A 	C18H25N5O5	391.185568	NA	MeJP	NA	NA
+PJ000815	NKM 	C15H29N5O5S	391.189	NA	PeJP	NA	NA
+MJ052988	Neoechinulin 	C23H25N3O3	391.189591	NA	MeJP	NA	NA
+PJ000816	VHH 	C17H25N7O4	391.1968	NA	PeJP	NA	NA
+MJ052989	2-[(Cyclohexylmethylene)hydrazino]adenosine 	C17H25N7O4	391.196802	NA	MeJP	NA	NA
+2627	synthetic fr,of human beta-CN (50-52) ACE inhibitor	IYP	391.199	NA	Inhouse_peptide	NA	peptide
+7550	ACE inhibitor	LYP	391.199	antioxidative	Inhouse_peptide	NA	peptide
+7803	ACE inhibitor from as2-casein	IPY	391.199	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ052990	Ipalbidine, O-?-D-Glucopyranoside 	C21H29NO6	391.199487	NA	MeJP	NA	NA
+MJ052991	Ipanguline D3; 2''-Epimer, 7-O-(phenylacetyl) 	C21H29NO6	391.199487	NA	MeJP	NA	NA
+MJ052992	Ipanguline D3; 7-O-(Phenylacetyl) 	C21H29NO6	391.199487	NA	MeJP	NA	NA
+MJ052993	Roquefortine; 3,12-Dihydro 	C22H25N5O2	391.200825	NA	MeJP	NA	NA
+MJ052994	Biriperone 	C24H26FN3O	391.20599	NA	MeJP	NA	NA
+PJ000817	GSTK 	C15H29N5O7	391.2067	NA	PeJP	NA	NA
+PJ000818	PLY 	C20H29N3O5	391.2107	NA	PeJP	NA	NA
+MJ052995	Dioncophylline A; Atropisomer, N-Me 	C25H29NO3	391.214743	NA	MeJP	NA	NA
+MJ052996	Dioncophylline A; Me ether 	C25H29NO3	391.214743	NA	MeJP	NA	NA
+MJ052997	Dioncophylline A; N-Me 	C25H29NO3	391.214743	NA	MeJP	NA	NA
+MJ052998	Flusoxolol 	C22H30FNO4	391.215886	NA	MeJP	NA	NA
+MJ052999	Tauret 	C22H33NO3S	391.218114	NA	MeJP	NA	NA
+MJ053000	Isoechinulin A 	C24H29N3O2	391.225977	NA	MeJP	NA	NA
+MJ053001	Neoechinulin D 	C24H29N3O2	391.225977	NA	MeJP	NA	NA
+MJ053002	4-Methyl-19(N)-aconitene-1,8,14,16,18-pentol, O1,O16,O18-Tri-Me 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053003	Antibiotic BE 54476 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053004	Hatomamicin; 4,4a-Dihydro 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053005	Heteratisine 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053006	Karakoline; N-De-Et, O14-Ac 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053007	Monticamine 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053008	Nileprost 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053009	Parvistemonine 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053010	Pentagydine 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053011	Purpuride 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+MJ053012	Tuberostemonine; N-Oxide 	C22H33NO5	391.235873	NA	MeJP	NA	NA
+C08686	Heteratisine	C22H33NO5	391.2359	NA	KEGG	NA	NA
+7807	ACE inhibitor from caprine b-Lg	LLF	391.236	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ053013	Toquizine 	C23H29N5O	391.23721	NA	MeJP	NA	NA
+MJ053014	Fortimicin A; 3-O-De-Me 	C16H33N5O6	391.243083	NA	MeJP	NA	NA
+MJ053015	Fortimicin AN 	C16H33N5O6	391.243083	NA	MeJP	NA	NA
+MJ053016	Fortimicin B; O-De-Me, 2'-N-glycyl 	C16H33N5O6	391.243083	NA	MeJP	NA	NA
+MJ053017	Fortimicin D 	C16H33N5O6	391.243083	NA	MeJP	NA	NA
+PJ000819	LLF 	C21H33N3O4	391.2471	NA	PeJP	NA	NA
+C15163	17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol	C26H33NO2	391.2511	NA	KEGG	NA	NA
+MJ053018	Fenretinide 	C26H33NO2	391.251129	NA	MeJP	NA	NA
+MJ053019	Ethylcyclononylprodigiosin 	C25H33N3O	391.262362	NA	MeJP	NA	NA
+MJ053020	Metacycloprodigiosin 	C25H33N3O	391.262362	NA	MeJP	NA	NA
+MJ053021	Methylcyclodecylprodigiosin 	C25H33N3O	391.262362	NA	MeJP	NA	NA
+MJ053022	Streptorubin B 	C25H33N3O	391.262362	NA	MeJP	NA	NA
+MJ053023	Vitamycin A 	C25H33N3O	391.262362	NA	MeJP	NA	NA
+MJ053024	19-Nor-4-dehydrocassaidine 	C23H37NO4	391.272258	NA	MeJP	NA	NA
+MJ053025	7-[3-[(Cyclopentylhydroxyacetyl)amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid 	C23H37NO4	391.272258	NA	MeJP	NA	NA
+MJ053026	Karakoline; O1-Me 	C23H37NO4	391.272258	NA	MeJP	NA	NA
+MJ053027	Karakoline; O14-Me 	C23H37NO4	391.272258	NA	MeJP	NA	NA
+MJ053028	Norcassaidide; 7-Ketone 	C23H37NO4	391.272258	NA	MeJP	NA	NA
+MJ053029	4-Hydroxy-3-methyl-2-butenoic acid, O-(14Z-Eicosenoyl), nitrile 	C25H45NO2	391.345029	NA	MeJP	NA	NA
+MJ053030	Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-nonadecyl-1H-pyrrole-2-carboxylate 	C25H45NO2	391.345029	NA	MeJP	NA	NA
+3726	NA	YPFGFPG	391.6725	MH2+	Inhouse_peptide	NA	peptide
+3128	exomorphin from bovine alpha s1-casein fr:90-95	RYLGYL	391.708	MH2+	Inhouse_peptide	NA	peptide
+3294	bovine kappa-casein fr, 106-112	MAIPPKK	391.7267	MH2+	Inhouse_peptide	NA	peptide
+C18123	2,3,3',4,4',5,5'-Heptachlorobiphenyl	C12H3Cl7	391.8054	NA	KEGG	NA	NA
+C17104	Costatone	C10H12Br2Cl2O2	391.8581	NA	KEGG	NA	NA
+MJ053031	Costatone 	C10H12Br2Cl2O2	391.85811	NA	MeJP	NA	NA
+MJ053032	Aspirochlorine; Trisulfide analogue 	C12H9ClN2O5S3	391.936211	NA	MeJP	NA	NA
+MJ053033	Rubrolide E; 3''-Bromo, 2-chloro 	C17H10BrClO4	391.945099	NA	MeJP	NA	NA
+MJ053034	Thiocarbarsone 	C11H13AsN2O5S2	391.948184	NA	MeJP	NA	NA
+MJ053035	Brotizolam 	C15H10BrClN4S	391.949807	NA	MeJP	NA	NA
+MJ053036	(1-Thioglucopyranosato)gold 	C6H11AuO5S	391.99927	NA	MeJP	NA	NA
+C08193	Aurothioglucose	C6H11AuO5S	391.9993	NA	KEGG	NA	NA
+C08194	Transferred to D00992	C6H11AuO5S	391.9993	NA	KEGG	NA	NA
+MJ053037	Molokaiamine; N2',N3'',N3''-Tri-Me 	C14H22Br2N2O	392.009888	NA	MeJP	NA	NA
+MJ053038	3-[5-Deoxy-5-(dimethylarsinyl)ribofuranosyloxy]-2-hydroxy-1-propanesulfonic acid; ?-D-form 	C10H21AsO9S	392.012224	NA	MeJP	NA	NA
+FL1CCBNSH001	3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone	C18H17BrO5	392.02593	860000-36-8	knapsack	NA	NA
+MJ053039	Metaclazepam 	C18H18BrClN2O	392.029103	NA	MeJP	NA	NA
+C11755	Epithienamycin E	C13H16N2O8S2	392.0348	NA	KEGG	NA	NA
+C11756	6-Methylpenicillin	C10H13N2O4SR	392.0348	NA	KEGG	NA	NA
+C11757	Acyl-D-Ala-D-Ala	C7H11N2O4R	392.0348	NA	KEGG	NA	NA
+MJ053040	Thienamycin; 6,8-Diepimer, 1',2'E-didehydro, N-Ac, O-sulfate 	C13H16N2O8S2	392.034806	NA	MeJP	NA	NA
+MJ053041	Thienamycin; 6,8-Diepimer, 1',2'Z-didehydro, N-Ac, O-sulfate 	C13H16N2O8S2	392.034806	NA	MeJP	NA	NA
+JH223	Chlorogenic acid [M+K]+	NA	392.0509	11.5	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH223	Chlorogenic acid [M+K]+	NA	392.0509	11.5	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH223	Chlorogenic acid [M+K]+	NA	392.0509	11.5	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH223	Chlorogenic acid [M+K]+	NA	392.0509	11.5	Inhousejuil11	NA	NA
+MJ053042	Hypoprotocetraric acid; 2-Chloro, Me ester 	C19H17ClO7	392.06628	NA	MeJP	NA	NA
+MJ053043	Agrocinopin A; De-O-glucopyranosyl 	C11H21O13P	392.071977	NA	MeJP	NA	NA
+FL5FGGNS0001	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone	C18H16O10	392.07434	99816-52-1	knapsack	NA	NA
+MJ053044	1,3,6,7-Tetrahydroxy-2-?-D-xylopyranosylxanthone 	C18H16O10	392.074346	NA	MeJP	NA	NA
+MJ053045	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,6,8-Tri-Me ether 	C18H16O10	392.074346	NA	MeJP	NA	NA
+FL3FA9NR0001	Hosloppin;5-Hydroxy-6-(5-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)-7-methoxy-2-phenyl-4H-1-benzopyran-4-one	C22H16O7	392.0896	163597-62-4	knapsack	NA	NA
+FL5FAANC0001	8-C-p-Hydroxybenzylkaempferol	C22H16O7	392.0896	163399-33-5	knapsack	NA	NA
+MJ053046	4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3'-Hydroxy 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053047	4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3-Hydroxy 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053048	?-Pyrromycinone 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053049	Antibiotic BE 26554A 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053050	Antibiotic S 383A 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053051	Hoslundin; 3''-O-De-Me 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053052	Resistoflavine 	C22H16O7	392.089602	NA	MeJP	NA	NA
+MJ053053	3-Chloro-8-hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H21ClO6	392.102666	NA	MeJP	NA	NA
+MJ053054	Haiderin; 8-Me ether 	C20H21ClO6	392.102666	NA	MeJP	NA	NA
+MJ053055	Radicicol; Di-Me ether 	C20H21ClO6	392.102666	NA	MeJP	NA	NA
+MJ053056	Peniophorin; 4',4''-Dideoxy 	C26H16O4	392.104859	NA	MeJP	NA	NA
+MJ053057	1,2,4-Benzenetriol; 1-O-(6-O-Benzoyl-?-D-allopyranoside) 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053058	1,2,4-Benzenetriol; 1-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053059	1,2,4-Benzenetriol; 4-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053060	1,4-Benzenediol; O-[4-Hydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053061	Arbutin; 6-O-(4-Hydroxybenzoyl) 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053062	Cervicarcin 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053063	Clauslactone B; 9'-Hydroxy 	C19H20O9	392.110732	NA	MeJP	NA	NA
+MJ053064	Oxymycousnine 	C19H20O9	392.110732	NA	MeJP	NA	NA
+CJneg0585	?-hydroxyhippuric acid [(2M-H)]- (18O)	C18H17N2O718O	392.111125	C18rt(min)=4.99 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0585	?-hydroxyhippuric acid [(2M-H)]- (18O)	C18H17N2O718O	392.111125	C18rt(min)=4.99 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C06165	Macarpine	C22H18NO6	392.1134	NA	KEGG	NA	NA
+MJ053065	Macarpine 	C22H18NO6	392.113412	NA	MeJP	NA	NA
+MJ053066	Chiriquitoxin 	C13H20N4O10	392.117942	NA	MeJP	NA	NA
+PJ000820	GSDD 	C13H20N4O10	392.118	NA	PeJP	NA	NA
+CJpos0785	1,3-dimethyluric acid [(2M+H)]+	C14H17N8O6	392.118775	C18rt(min)=4.67 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0785	1,3-dimethyluric acid [(2M+H)]+	C14H17N8O6	392.118775	C18rt(min)=4.67 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ000821	APCC 	C14H24N4O5S2	392.1188	NA	PeJP	NA	NA
+CJneg0586	1,3-dimethyluric acid [(2M-H)]-	C14H15N8O6	392.119825	C18rt(min)=4.67 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0587	1,7-dimethyluric acid [(2M-H)]-	C14H15N8O6	392.119825	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0586	1,3-dimethyluric acid [(2M-H)]-	C14H15N8O6	392.119825	C18rt(min)=4.67 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0587	1,7-dimethyluric acid [(2M-H)]-	C14H15N8O6	392.119825	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+FL3F19NF0006	(-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C23H20O6	392.12598	51787-32-7	knapsack	NA	NA
+FL3F19NF0008	(-)-Pseudosemiglabrin;Pseudosemiglabrin;(7aS,10S,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C23H20O6	392.12598	75444-25-6	knapsack	NA	NA
+FL3FA9ND0001	Stachyoidin;(8aR,11aR)-rel-(-)-8a,11a-Dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione	C23H20O6	392.12598	35820-34-9	knapsack	NA	NA
+FL3FA9NR0002	Hookerianin;8-(2,5-Dihydro-5,5-dimethyl-2-oxo-3-furanyl)-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C23H20O6	392.12598	182232-34-4	knapsack	NA	NA
+FLIFWXNF0003	Dehydrorotenone;Didehydrorotenone	C23H20O6	392.12598	30990-44-4	knapsack	NA	NA
+FLIFWXNP0002	Dehydrodeguelin,7a,13a-Didehydrodeguelin	C23H20O6	392.12598	3466-23-7	knapsack	NA	NA
+MJ053067	2''-Isopropenyl-3''-hydroxydihydrofuranodemethylcalabaxanthone 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053068	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(4-Hydroxycinnamoyl) 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053069	3-Hydroxymethyl-3,5-cyclohexadiene-1,2-diol, 1,1'-Dibenzoyl, 2-Ac 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053070	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-Benzoyl 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053071	Apollinine; 5-Methoxy 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053072	Cudraxanthone A; 3-Hydroxy 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053073	Deguelin, 7a,13a-Didehydro 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053074	Dehydrorotenone 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053075	Lomatin, O-(E)-4-Hydroxycinnamoyl 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053076	Lomatin, O-(Z)-4-Hydroxycinnamoyl 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053077	Oxymitrone 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053078	Pyranojacareubin 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053079	Rheediaxanthone A 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053080	Semiglabrinol; 5''-Epimer, Ac 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053081	Semiglabrinol; Ac 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053082	Stachyoidin 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053083	Tachrosin 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053084	Thwaitesixanthone; 1'-Hydroxy 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053085	Thwaitesixanthone; 5-Hydroxy 	C23H20O6	392.125988	NA	MeJP	NA	NA
+MJ053086	Cachineside IV 	C16H24O11	392.131861	NA	MeJP	NA	NA
+MJ053087	Caryoptosidic acid 	C16H24O11	392.131861	NA	MeJP	NA	NA
+MJ053088	Formosinoside 	C16H24O11	392.131861	NA	MeJP	NA	NA
+MJ053089	Shanzhiside 	C16H24O11	392.131861	NA	MeJP	NA	NA
+MJ053090	Tuliposide D; 3'S-Hydroxy 	C16H24O11	392.131861	NA	MeJP	NA	NA
+MJ053091	Tuliposide F 	C16H24O11	392.131861	NA	MeJP	NA	NA
+C17066	Shanzhiside	C16H24O11	392.1319	NA	KEGG	NA	NA
+MJ053092	Riboflavine; ?7-Hydroxy 	C17H20N4O7	392.133199	NA	MeJP	NA	NA
+MJ053093	Fenflumizol 	C23H18F2N2O2	392.133634	NA	MeJP	NA	NA
+PJ000822	NEM 	C14H24N4O7S	392.1366	NA	PeJP	NA	NA
+C11173	SN-38	C22H20N2O5	392.1372	NA	KEGG	NA	NA
+MJ053094	Reglitazar 	C22H20N2O5	392.137221	NA	MeJP	NA	NA
+MJ053095	Chloroprednisone 	C21H25ClO5	392.139051	NA	MeJP	NA	NA
+MJ053096	Cloprednol 	C21H25ClO5	392.139051	NA	MeJP	NA	NA
+C09443	Eupatoroxin	C20H24O8	392.1471	NA	KEGG	NA	NA
+C09447	10-epi-Eupatoroxin	C20H24O8	392.1471	NA	KEGG	NA	NA
+C09577	Vernodalol	C20H24O8	392.1471	NA	KEGG	NA	NA
+MJ053097	1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl) 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053098	1,10;2,3;4,15-Triepoxy-5,8-dihydroxy-11(13)-germacren-12,6-olide, 8-Angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053099	1,2-Epoxy-8,10,15-trihydroxy-3-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053100	1,4-Epidioxy-9,10-dihydroxy-2,11(13)-guaiadien-12,6-olide, 8?-Hydroxy, 9-angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053101	1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, O1-Me, 8-O-(2-methyl-2-propenoyl) 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053102	1,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide, 8-(4-hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053103	1,8-Dihydroxy-3,9,11(13)-guaiatrien-12,6-olide, 1-Hydroperoxide, 8-(4-hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053104	1-(2,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethane; 2-O-?-D-Glucopyranoside 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053105	10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 3?,4?-Epoxide, 8-tigloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053106	10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl) 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053107	12,15-Dihydroxy-3,13-clerodadiene-16,15:18,6-diolid-17-oic acid 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053108	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-L-Rhamnopyranoside 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053109	3,10-Epoxy-3,8,9-trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053110	3,10-Epoxy-5,8,9-trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053111	3,10-Epoxy-8,13,15-trihydroxy-1-oxo-2,4-germacradien-12,6-olide, 8-(2-Methyl-2-propenoyl), 13-Me ether 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053112	3,13:11,12:15,16-Triepoxy-2,3-dihydroxy-6-oxo-4,7-cembradien-20,10-olide 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053113	3,3',4,4',8,8',9-Heptahydroxy-7,9'-epoxylignan; 3,3'-Di-Me ether 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053114	3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053115	3,4:10,14-Diepoxy-2,5,8-trihydroxy-11(13)-guaien-12,6-olide, 8-Angeloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053116	4,18:7,20-Diepoxy-15,19,20-trihydroxy-6-oxo-11-cleroden-16,15-olide 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053117	6-Hydroxychaparrin; 6?-form, 13,18-Didehydro, 2-ketone 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053118	7-Hydroxy-4,9-dioxo-2-decenoic acid, 7-O-(4,9-Dioxo-2E,7E-decadienoyl) 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053119	7-Hydroxyolivil 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053120	8-Hydroxy-2,3-seco-4,11(13)-germacradiene-3,10;12,6-diolid-2-oic acid, Tigloyl 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053121	Ailantinol D 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053122	Anisocoumarin J 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053123	Antibiotic 87-250904F1 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053124	Bipinnatolide K 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053125	Bis(4-hydroxybenzyl) ether; Mono-?-D-glucopyranoside 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053126	Capenicin 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053127	Karinolide 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053128	Osthenol; O-?-D-Galactopyranoside 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053129	Osthenol; O-?-D-Glucopyranoside 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053130	Salignone K 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053131	Salvifoliolide 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053132	Sisymbrifolin 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053133	Teupestalin A 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053134	Vermiculin 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053135	Vernodalol 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053136	Verrillin 	C20H24O8	392.147117	NA	MeJP	NA	NA
+MJ053137	Vilmorinine C 	C20H24O8	392.147117	NA	MeJP	NA	NA
+PJ000823	CDR 	C13H24N6O6S	392.1478	NA	PeJP	NA	NA
+MJ053138	Thaxtomin A; 3,3''-Dideoxy, N4-de-Me 	C21H20N4O4	392.148455	NA	MeJP	NA	NA
+PJ000824	GMW 	C18H24N4O4S	392.1518	NA	PeJP	NA	NA
+MJ053139	1,1'-Bis(2-hydroxy-3-methylcarbazole) 	C26H20N2O2	392.152477	NA	MeJP	NA	NA
+PJ000825	GSTE 	C14H24N4O9	392.1543	NA	PeJP	NA	NA
+MJ053140	7,8-Dihydroxy-1-methyl-?-carboline; 3,4-Dihydro, O7-Me, 8-O-?-D-Glucopyranoside 	C19H24N2O7	392.158351	NA	MeJP	NA	NA
+FL1DA9NC0004	Anguvetin	C24H24O5	392.16237	83109-27-7	knapsack	NA	NA
+FLNAA9NI0002	6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin	C24H24O5	392.16237	54947-82-9	knapsack	NA	NA
+FLNAA9NI0004	Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin	C24H24O5	392.16237	16981-20-7	knapsack	NA	NA
+MJ053141	1,2-Benzenedicarboxylic acid; Heptyl hydroxynonyl ester 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053142	5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053143	Anguvetin 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053144	Calabaxanthone 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053145	Mammea A/BC 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053146	Mammea A/BD 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053147	Mesuol 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053148	Wallichin 	C24H24O5	392.162373	NA	MeJP	NA	NA
+MJ053149	Sparfloxacin 	C19H22F2N4O3	392.165997	NA	MeJP	NA	NA
+C07662	Sparfloxacin	C19H22F2N4O3	392.166	NA	KEGG	NA	NA
+PJ000826	STW 	C18H24N4O6	392.1696	NA	PeJP	NA	NA
+MJ053150	16-Bromo-15-docosene-1,3-diyn-5-one 	C22H33BrO	392.171478	NA	MeJP	NA	NA
+PJ000827	DKM 	C15H28N4O6S	392.173	NA	PeJP	NA	NA
+MJ053151	3,6a,11,14-Tetrahydro-9-methoxy-2-methyl-12H-isoquino[1,2-b]pyrrolo[3,2-f][1,3]benzoxazine-1-carboxylic acid; Et ester 	C23H24N2O4	392.173607	NA	MeJP	NA	NA
+MJ053152	Arenine 	C23H24N2O4	392.173607	NA	MeJP	NA	NA
+C09586	Viguiestenin	C21H28O7	392.1835	NA	KEGG	NA	NA
+C17054	Picrasin G	C21H28O7	392.1835	NA	KEGG	NA	NA
+MJ053153	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 3-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053154	1,6,10-Trihydroxyfuranoeremophilan-9-one, 1-(2-Methylpropanoyl), 6-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053155	1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-(2-Methylpropanoyl), 1-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053156	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl), 1-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053157	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl), 6-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053158	1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 1-Me ether 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053159	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 1-Me ether, 8-angeloyl 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053160	4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 13-Me ether, 8-angeloyl 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053161	5,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 5-Deoxy, 8-(2-methylpropenoyl), 10-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053162	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropanoyl), 15-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053163	8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053164	8,15-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(2-Acetoxymethyl-2-propenoyl) 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053165	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropanoyl), 9-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053166	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 14-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053167	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Me ether, 8-(2-methylbutanoyl) 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053168	9,12,14-Trihydroxy-3(15)-longipinen-4-one, Tri-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053169	9,12,14-Trihydroxy-3(15)-longipinen-4-one; 9?-form, Tri-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053170	9,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylpropanoyl), 9-Ac 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053171	Austroeupatorione 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053172	Clementein; 16-Epimer, 4,15-dihydro 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053173	Glaucogenin A; 11?-Hydroxy 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053174	Hancopregnane 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053175	Javanicin Y; 13-Deoxy, 12-Me ether 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053176	Lanugone F; 19-Formyloxy 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053177	Lanugone F; 19-Hydroxy, 7-O-formyl 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053178	Mexoticin, 2'-O-(3-Methylbutanoyl) 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053179	Picrasin B; 6?-Hydroxy 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053180	Picrasin G 	C21H28O7	392.183503	NA	MeJP	NA	NA
+MJ053181	Plagiochiline C; 9?-Acetoxy 	C21H28O7	392.183503	NA	MeJP	NA	NA
+PJ000828	SMR 	C14H28N6O5S	392.1842	NA	PeJP	NA	NA
+PJ000829	SSSL 	C15H28N4O8	392.1907	NA	PeJP	NA	NA
+3643	NA	YPFGFR~	392.1945	MH2+	Inhouse_peptide	NA	peptide
+MJ053182	Cinepazic acid; Et ester 	C20H28N2O6	392.194736	NA	MeJP	NA	NA
+MJ053183	Zoamides; !Zoamide C 	C21H24N6O2	392.196074	NA	MeJP	NA	NA
+MJ053184	Lincomycin B 	C17H32N2O6S	392.198107	NA	MeJP	NA	NA
+MJ053185	Lincomycin; N-De-Me 	C17H32N2O6S	392.198107	NA	MeJP	NA	NA
+FL1C1ANI0001	Abyssinone VI	C25H28O4	392.19875	77263-12-8	knapsack	NA	NA
+FL1C1ANI0011	Kanzonol C	C25H28O4	392.19875	151135-82-9	knapsack	NA	NA
+FL1C1ANI0012	4,2',4'-Trihydroxy-3',5'-diprenylchalcone	C25H28O4	392.19875	63529-05-5	knapsack	NA	NA
+FL1C1ANI0015	4'-Geranyloxy-4,2'-dihydroxychalcone	C25H28O4	392.19875	130289-23-5	knapsack	NA	NA
+FL1C1ANI0016	Xanthoangelol	C25H28O4	392.19875	62949-76-2	knapsack	NA	NA
+FL1C1ANI0023	Stipulin	C25H28O4	392.19875	140614-21-7	knapsack	NA	NA
+FL1C1ANP0018	Artoindonesianin J;Isocycloglabrol;Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone	C25H28O4	392.19875	59870-67-6	knapsack	NA	NA
+FL1C1ANP0019	Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone	C25H28O4	392.19875	216753-67-2	knapsack	NA	NA
+FL1C98NI0001	Flemiwallichin E	C25H28O4	392.19875	96657-92-0	knapsack	NA	NA
+FL1CA9NI0007	3'-Geranyl-2',4',6'-trihydroxychalcone	C25H28O4	392.19875	73436-02-9	knapsack	NA	NA
+FL1CA9NI0008	3'-Neryl-2',4',6'-trihydroxychalcone	C25H28O4	392.19875	140158-52-7	knapsack	NA	NA
+FL1CA9NR0001	Linderachalcone	C25H28O4	392.19875	120948-04-1	knapsack	NA	NA
+FL2F19NI0004	7-Prenyloxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone	C25H28O4	392.19875	96917-31-6	knapsack	NA	NA
+FL2F1ANI0002	7,4'-Dihydroxy-6,8-di-C-prenylflavanone	C25H28O4	392.19875	78316-25-3	knapsack	NA	NA
+FL2F1ANI0005	Abyssinone IV	C25H28O4	392.19875	77263-10-6	knapsack	NA	NA
+FL2F1ANI0008	Glabrol	C25H28O4	392.19875	59870-65-4	knapsack	NA	NA
+FL2F1ANI0013	Prostratol F;(2S)-7,4'-Dihydroxy-8-geranylflavanone	C25H28O4	392.19875	162382-66-3	knapsack	NA	NA
+FL2F1ANP0010	Euchrenone a17;7-Hydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone	C25H28O4	392.19875	485755-29-1	knapsack	NA	NA
+FL2F1ANP0011	Dorsmanin B;Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone	C25H28O4	392.19875	211307-30-1	knapsack	NA	NA
+FL2FA9NI0007	5,7-Dihydroxy-8-C-geranylflavanone	C25H28O4	392.19875	77222-70-9	knapsack	NA	NA
+FL2FA9NI0009	5-Hydroxy-7-prenyloxy-8-C-prenylflavanone	C25H28O4	392.19875	96386-72-0	knapsack	NA	NA
+FL2FA9NI0014	5,7-Dihydroxy-6,8-di-C-prenylflavanone	C25H28O4	392.19875	96386-71-9	knapsack	NA	NA
+FL2FA9NI0022	5-Hydroxy-7-O-nerylflavanone	C25H28O4	392.19875	-	knapsack	NA	NA
+FL2FA9NR0001	Linderatone	C25H28O4	392.19875	98155-84-1	knapsack	NA	NA
+FL6F1CNP0001	Kazinol B	C25H28O4	392.19875	99624-27-8	knapsack	NA	NA
+FLIC1LNP0002	Hispaglabridin A	C25H28O4	392.19875	68978-03-0	knapsack	NA	NA
+FLID1ANI0006	Lespein;3,9-Dihydroxy-6a,10-diprenylpterocarpan	C25H28O4	392.19875	51447-95-1	knapsack	NA	NA
+FLID1ANI0007	Lespedezin;10-Geranyl-3,9-dihydroxypterocarpan	C25H28O4	392.19875	51581-03-4	knapsack	NA	NA
+FLID1ANI0008	Ficifolinol;3,9-Dihydroxy-2,8-diprenylpterocarpan	C25H28O4	392.19875	26992-38-1	knapsack	NA	NA
+FLID1ANI0009	Erythrabyssin II;3,9-Dihydroxy-2,10-diprenylpterocarpan	C25H28O4	392.19875	77263-06-0	knapsack	NA	NA
+FLID1CNI0004	Erybraedin C;(6aR,11aR)-3,9-Dihydroxy-4,8-diprenylpterocarpan	C25H28O4	392.19875	119269-74-8	knapsack	NA	NA
+FLID1CNI0005	Erybraedin A;4-Prenylphaseollidin;(6aR,11aR)-3,9-Dihydroxy-4,10-diprenylpterocarpan	C25H28O4	392.19875	119269-76-0	knapsack	NA	NA
+MJ053186	1,3,8,9-Tetrahydroxy-6-methylanthracene; O3-(3,7-Dimethyl-2,6-octadienyl) 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053187	2',4,4'-Trihydroxy-3',5'-diprenylchalcone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053188	2',4,4'-Trihydroxy-3,3'-diprenylchalcone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053189	2',4,4'-Trihydroxy-3,5'-diprenylchalcone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053190	2',4,4'-Trihydroxy-3,5-diprenylchalcone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053191	2',4,4'-Trihydroxychalcone; 4'-O-(3,7-Dimethyl-2,6-octadienyl) 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053192	2-(3,7-Dimethyl-2,6-octadienyl)-1,3,8-trihydroxy-6-methyl-9(10H)-anthracenone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053193	3'-(3,7-Dimethyl-2,6-octadienyl)-2',4',6'-trihydroxychalcone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053194	3'-Geranyl-4',7-dihydroxyisoflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053195	3,9-Dihydroxy-2,10-diprenylpterocarpan 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053196	3,9-Dihydroxy-2,8-diprenylpterocarpan 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053197	3,9-Dihydroxy-4,10-diprenylpterocarpan 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053198	3,9-Dihydroxy-4,8-diprenylpterocarpan 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053199	3,9-Dihydroxy-6a,10-diprenylpterocarpan 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053200	3-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-1-(3,4-dihydro-7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053201	3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053202	4',7-Dihydroxy-3',5'-diprenylflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053203	4',7-Dihydroxy-3',6-diprenylisoflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053204	4',7-Dihydroxy-3',8-diprenylflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053205	4',7-Dihydroxy-6,8-diprenylflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053206	5,7-Dihydroxy-6,8-diprenylflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053207	5,7-Dihydroxy-8-geranylflavanone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053208	5,7-Dihydroxy-8-prenylflavanone, 7-O-(3-Methyl-2-butenyl) 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053209	5,7-Dihydroxyflavanone, 7-O-(3,7-Dimethyl-2,6-octadienyl)(Z-) 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053210	7-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-5-(2-phenylethyl)-2H-1-benzopyran-6-carboxylic acid 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053211	7-Hydroxy-8-(3-hydroxy-3-methyl-1-butenyl)flavanone, 7-O-(3-methyl-2-butenyl) 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053212	8-Prenylphaseollinisoflavan 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053213	Albafuran A; 3'-Me ether 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053214	Flemiwallichin E 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053215	Glyinflanin I 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053216	Harunganol A 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053217	Hispaglabridin A 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053218	Ircinolide 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053219	Kazinol B 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053220	Lespedezin 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053221	Linderachalcone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053222	Linderatone 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053223	Mulberrofuran L; 6-Me ether 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053224	Mulberrofuran N 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053225	Nassauviachromone; 12-Aldehyde 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053226	Nic 12 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053227	Paratocarpin J, Deoxy 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053228	Prostratol F 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053229	Striatin 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053230	Vismin 	C25H28O4	392.198759	NA	MeJP	NA	NA
+MJ053231	Xanthoangelol 	C25H28O4	392.198759	NA	MeJP	NA	NA
+C08573	Abyssinone VI	C25H28O4	392.1988	NA	KEGG	NA	NA
+C08846	Mulberrofuran A	C25H28O4	392.1988	NA	KEGG	NA	NA
+C10425	Hispaglabridin A	C25H28O4	392.1988	NA	KEGG	NA	NA
+C07413	Paramethasone	C22H29FO5	392.1999	NA	KEGG	NA	NA
+C15319	9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-	C22H29FO5	392.1999	NA	KEGG	NA	NA
+C15643	Dexamethasone	C22H29FO5	392.1999	NA	KEGG	NA	NA
+MJ053232	Betamethasone 	C22H29FO5	392.199902	NA	MeJP	NA	NA
+MJ053233	Dexamethasone 	C22H29FO5	392.199902	NA	MeJP	NA	NA
+MJ053234	Flunoprost 	C22H29FO5	392.199902	NA	MeJP	NA	NA
+MJ053235	Fluperolone 	C22H29FO5	392.199902	NA	MeJP	NA	NA
+MJ053236	Paramethasone 	C22H29FO5	392.199902	NA	MeJP	NA	NA
+PJ000830	VQF 	C19H28N4O5	392.206	NA	PeJP	NA	NA
+MJ053237	Edulimide 	C24H28N2O3	392.209992	NA	MeJP	NA	NA
+MJ053238	Naftopidil 	C24H28N2O3	392.209992	NA	MeJP	NA	NA
+PJ000831	AFR 	C18H28N6O4	392.2172	NA	PeJP	NA	NA
+MJ053239	1,12,15-Trihydroxy-16-kauren-19-oic acid, 1-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053240	1,3,7,14-Tetrahydroxy-16-kauren-15-one, 1-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053241	1,3,7,14-Tetrahydroxy-16-kauren-15-one, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053242	1,3-Dihydroxy-8,17-sacculatadien-11,12-olide, 17,18-Dihydro, 17-oxo, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053243	1,7,12,14-Tetrahydroxy-16-kauren-15-one, 12-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053244	1,7,14,20-Tetrahydroxy-16-kauren-15-one, 14-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053245	1,7,14,20-Tetrahydroxy-16-kauren-15-one, 20-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053246	1,7,14,20-Tetrahydroxy-16-kauren-15-one, 7-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053247	11-Hydroxy-15-nor-14-oxo-12-isocopalen-16-oic acid; 11?-form, 12?,13?-Epoxide, Ac, Me ester 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053248	12,20-Epoxy-11,13,20-trihydroxy-3,14-clerodadien-2-one, 11-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053249	13,14-Epoxy-3-hydroxy-15-oxo-8(17)-labden-19-oic acid, Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053250	15,16-Epoxy-7,8,9-trihydroxy-13(16),14-labdadien-6-one, 7-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053251	15,16-Epoxy-8,9,19-trihydroxy-13(16),14-labdadien-7-one, 8-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053252	15,17-Epoxy-6,17-dihydroxy-16-spongianone, 6-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053253	15,17-Epoxy-7,17-dihydroxy-16-spongianone, 7-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053254	16,18-Dihydroxy-3,13-clerodadien-15-oic acid, 18-Aldehyde, 16-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053255	16-Hydroxy-17-oxo-6,13-labdadien-15-oic acid, 17-Carboxylic acid, 16-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053256	16-Kaurene-1,3,6,11,15-pentol, 15-Ketone, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053257	2,18,19-Trihydroxy-3,13-clerodadien-15,16-olide, 19-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053258	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053259	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 6-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053260	2,3,7,14-Tetrahydroxy-16-kauren-15-one, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053261	2,5,9,10-Tetrahydroxy-3,11-cyclo-4(20)-taxen-13-one, 2-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053262	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 10-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053263	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 9-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053264	2,6,10,14-Phytatetraene-1,18,19-triol, 18,19-Dicarboxylic acid, Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053265	2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 19-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053266	2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 6-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053267	2,7-Dihydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid, 7-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053268	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-Angeloyl, 4-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053269	3,4,7-Trihydroxy-11-eudesmen-8-one, 3-Angeloyl, 4-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053270	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl, 4-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053271	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl), 4-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053272	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-angeloyl, 4-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053273	3,4-Epoxy-6,13-dihydroxy-14-cleroden-20,12-olide, 6-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053274	3,4-Epoxy-7,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, 13-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053275	3,4-Epoxy-8,13-dihydroxy-6,15(17)-cembradien-16,14-olide, 13-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053276	3,4:18,19-Diepoxy-18,19-dihydroxy-13-cleroden-15,16-olide, 18-Et ether 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053277	3,4:8,11-Diepoxy-7-hydroxy-15(17)-cembren-16,12-olide, Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053278	3,6,11,12-Tetrahydroxy-16-kauren-15-one, 11-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053279	3,7,9,14-Tetrahydroxy-16-kauren-15-one, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053280	4,18-Epoxy-2,6-dihydroxy-13-cleroden-15,16-olide, 6-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053281	4,18-Epoxy-6,19-dihydroxy-13-cleroden-16,15-olide, 19-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053282	4,6,8,9-Daucanetetrol, 6-(4-Hydroxybenzoyl) 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053283	4,6,8,9-Daucanetetrol, 9-(4-Hydroxybenzoyl) 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053284	4,7-Epoxy-3,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, 3-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053285	4,7-Epoxy-3,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, 13-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053286	5,8,9-Trihydroxy-10(14)-oplopen-3-one, 5-Ac, 9-angeloyl 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053287	6,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione, 6-Me ether 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053288	6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Et ether 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053289	7,11,12,14-Tetrahydroxy-16-kauren-15-one, 11-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053290	7,11,12,14-Tetrahydroxy-16-kauren-15-one, 14-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053291	7,11,13,19-Tetrahydroxy-16-kauren-15-one, 11-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053292	7,11,14,20-Tetrahydroxy-16-kauren-15-one, 11-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053293	7,11,14,20-Tetrahydroxy-16-kauren-15-one, 20-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053294	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053295	7,20-Epoxy-16-kaurene-6,7,11,15-tetrol, 11-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053296	8,12-Epoxy-16,17-dihydroxy-13-labden-15,16-olide, 17-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053297	8,16-Dihydroxy-17-nor-6,13-labdadien-15-oic acid, 16-Ac, 8-formyl 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053298	9,13-Epidioxy-8(14)-abieten-18-oic acid, 3?-Acetoxy 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053299	9,13-Epoxy-18-hydroxy-6-oxo-7-labden-15-oic acid, Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053300	9,13:15,16-Diepoxy-8,15-dihydroxy-7-labdanone, 15-Ketone (lactone), 8-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053301	9,13:15,16-Diepoxy-8,19-dihydroxy-14-labden-7-one, 8-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053302	Elisabetholide 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053303	Fukinolidiol; 1-(2S-Methylbutanoyl), 9-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053304	Fukinolidiol; 9-(3-Methylbutanoyl), 1-Ac 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053305	Kuhistanol C 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053306	Nigakihemiacetal C; 11,12-Methylene ether 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053307	Nigakilactone A; 12-Me ether 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053308	Phlebiachrysoic acid A; 8',9'-Dihydro 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053309	Pregaleuterone 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053310	Secoasbestinin 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053311	Shahamin F; 1?-Hydroxy 	C22H32O6	392.219888	NA	MeJP	NA	NA
+MJ053312	Shahamin F; 1?-Hydroxy 	C22H32O6	392.219888	NA	MeJP	NA	NA
+C09115	Isodomedin	C22H32O6	392.2199	NA	KEGG	NA	NA
+C17013	Nigakilactone B	C22H32O6	392.2199	NA	KEGG	NA	NA
+MJ053313	12,12'-Methylenedicytisine 	C23H28N4O2	392.221226	NA	MeJP	NA	NA
+MJ053314	Isokalihinol B 	C22H33ClN2O2	392.223056	NA	MeJP	NA	NA
+MJ053315	Kalihinol A 	C22H33ClN2O2	392.223056	NA	MeJP	NA	NA
+MJ053316	Kalihinol C; 16,17-Dihydro, 16-chloro 	C22H33ClN2O2	392.223056	NA	MeJP	NA	NA
+MJ053317	Kalihinol D 	C22H33ClN2O2	392.223056	NA	MeJP	NA	NA
+7488	ACE inhibitor (fragment of bovine b-LG)	VFK	392.23	antioxidative	Inhouse_peptide	NA	peptide
+MJ053318	Baciferacin 	C21H32N2O5	392.231122	NA	MeJP	NA	NA
+HMDB07003	CPA(16:0/0:0)	C19H37O6P	392.232788	NA	HMDB2010	NA	NA
+MJ053319	6'-Oxo-6,5'-diapo-6-carotenoic acid, Me ester 	C26H32O3	392.235144	NA	MeJP	NA	NA
+MJ053320	Azadirone; 7-Ketone, O-de-Ac 	C26H32O3	392.235144	NA	MeJP	NA	NA
+MJ053321	3,9,13-Megastigmanetriol; 3-O-?-D-Glucopyranoside 	C19H36O8	392.241018	NA	MeJP	NA	NA
+MJ053322	3,9,13-Megastigmanetriol; 9-O-?-D-Glucopyranoside 	C19H36O8	392.241018	NA	MeJP	NA	NA
+MJ053323	Cyclo(prolylvalylprolylvalyl) 	C20H32N4O4	392.242355	NA	MeJP	NA	NA
+PJ000832	VKF 	C20H32N4O4	392.2424	NA	PeJP	NA	NA
+MJ053324	Brinazarone 	C25H32N2O2	392.246378	NA	MeJP	NA	NA
+MJ053325	Moramide 	C25H32N2O2	392.246378	NA	MeJP	NA	NA
+MJ053326	2,16-Dihydroxy-8(17),13-labdadien-15-oic acid, 2-Me ether, 16-Ac 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053327	2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 2-Me ether, 5-Ac 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053328	2,5-Dihydroxy-3-methyl-6-tridecyl-1,4-benzoquinone; 5-Me ether, 2-Ac 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053329	5-[1-(2,2-Dimethylcyclopentylidene)ethyl]octahydro-4,4-dimethyl-1,3-isobenzofurandiol; Di-Ac 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053330	7,13-Labdadiene-3,15-diol, 3-Malonyl 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053331	7,13-Thyrsifloranediol, 13-Malonyl 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053332	7-Hydroxy-15-oxo-16-isocopalanoic acid; 7?-form, Ac, Me ester 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053333	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, Propanoyl 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053334	Compactin?; 4,4a?-Dihydro 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053335	Gracilin A; 9?,11-Dihydro 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053336	Peroxyacarnoic acid A 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053337	Viprostol 	C23H36O5	392.256274	NA	MeJP	NA	NA
+MJ053338	Fortimicin B; N1-(2-Hydroxyethyl) 	C17H36N4O6	392.263484	NA	MeJP	NA	NA
+MJ053339	10'-Apozeaxanthal 	C27H36O2	392.27153	NA	MeJP	NA	NA
+MJ053340	?-Apo-10'-carotenic acid 	C27H36O2	392.27153	NA	MeJP	NA	NA
+MJ053341	Exochomine 	C26H36N2O	392.282763	NA	MeJP	NA	NA
+MJ053342	2-Heptadecyl-6-hydroxybenzoic acid; 4-Hydroxy 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053343	3,12-Dihydroxycholan-24-oic acid 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053344	3,6-Dihydroxy-2-(1-oxo-11-octadecenyl)-2-cyclohexen-1-one 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053345	3,6-Dihydroxycholan-24-oic acid 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053346	3,7-Dihydroxycholan-24-oic acid 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053347	3-Heptadecyl-2,5-dihydroxybenzoquinone; 5-Me ether 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053348	4,7-Epidioxy-1-nor-16-prenyl-10,14-phytadien-2-oic acid 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053349	7-Labdene-15,17-diol, Di-Ac 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053350	7-Labdene-2,15-diol, 2,15-Di-Ac 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053351	Elasnin 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053352	Muqubilin 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053353	Sigmosceptrellin A 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053354	Sigmosceptrellin E 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053355	3alpha,12alpha-Dihydroxy-5beta-cholanate 	C24H40O4	392.292659	NA	MeJP	NA	NA
+MJ053356	Chenodeoxycholate 	C24H40O4	392.292659	NA	MeJP	NA	NA
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00518	Chenodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00518	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00626	Deoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00626	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00946	Ursodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00946	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00348	3b,12a-Dihydroxy-5a-cholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00348	HMDB	NA	NA
+HMDB00361	3b,7a-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00361	HMDB	NA	NA
+HMDB00384	3a,7a-Dihydroxycholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00384	HMDB	NA	NA
+HMDB00411	3a,12b-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00411	HMDB	NA	NA
+HMDB00438	3b,12a-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00438	HMDB	NA	NA
+HMDB00478	Allodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00478	HMDB	NA	NA
+HMDB00514	Allochenodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00514	HMDB	NA	NA
+HMDB00518	Chenodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00518	HMDB	NA	NA
+HMDB00626	Deoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00626	HMDB	NA	NA
+HMDB00664	Isohyodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00664	HMDB	NA	NA
+HMDB00686	Isoursodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00686	HMDB	NA	NA
+HMDB00733	Hyodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00733	HMDB	NA	NA
+HMDB00811	Murocholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00811	HMDB	NA	NA
+HMDB00946	Ursodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00946	HMDB	NA	NA
+HMDB02451	7beta,12alpha-Dihydroxycholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB02451	HMDB	NA	NA
+HMDB02488	7a,12b-dihydroxy-5b-Cholan-24-oic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB02488	HMDB	NA	NA
+HMDB02536	Isodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB02536	HMDB	NA	NA
+HMDB02585	3b,12b-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB02585	HMDB	NA	NA
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR641	Deoxycholic acid	NA	392.29266	393.29986	Inhouse_sept12	NA	NA
+MetaCyc03339	deoxycholate [deoxycholate;deoxycholic acid;]	C24H40O4	392.29266	NA	metacyc	NA	NA
+MetaCyc03340	chenodeoxycholate [chenodexycholic acid;3&alpha;, 7&alpha;-dihydroxy-5&beta;-cholanic acid;]	C24H40O4	392.29266	474-25-9	metacyc	NA	NA
+HMDB00518	Chenodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00518	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00626	Deoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00626	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00946	Ursodeoxycholic acid	C24H40O4	392.29266	http://www.hmdb.ca/metabolites/HMDB00946	PFEM_hmdb_metabocards_blood	NA	blood
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR640	Chenodeoxycholic acid 	F1	392.29266	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR641	Deoxycholic acid,Na salt 	NA	392.29266	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00348	3b,12a-Dihydroxy-5a-cholanoic acid	C24H40O4	392.29266	HMDB00348	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00361	3b,7a-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	HMDB00361	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00384	3a,7a-Dihydroxycholanoic acid	C24H40O4	392.29266	HMDB00384	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00411	3a,12b-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	HMDB00411	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00438	3b,12a-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	HMDB00438	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00478	Allodeoxycholic acid	C24H40O4	392.29266	HMDB00478	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00514	Allochenodeoxycholic acid	C24H40O4	392.29266	HMDB00514	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00518	Chenodeoxycholic acid	C24H40O4	392.29266	HMDB00518	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00626	Deoxycholic acid	C24H40O4	392.29266	HMDB00626	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00664	Isohyodeoxycholic acid	C24H40O4	392.29266	HMDB00664	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00686	Isoursodeoxycholic acid	C24H40O4	392.29266	HMDB00686	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00733	Hyodeoxycholic acid	C24H40O4	392.29266	HMDB00733	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00811	Murocholic acid	C24H40O4	392.29266	HMDB00811	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00946	Ursodeoxycholic acid	C24H40O4	392.29266	HMDB00946	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02451	7beta,12alpha-Dihydroxycholanoic acid	C24H40O4	392.29266	HMDB02451	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02488	7a,12b-dihydroxy-5b-Cholan-24-oic acid	C24H40O4	392.29266	HMDB02488	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02536	Isodeoxycholic acid	C24H40O4	392.29266	HMDB02536	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02585	3b,12b-Dihydroxy-5b-cholanoic acid	C24H40O4	392.29266	HMDB02585	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00348	3b,12a-Dihydroxy-5a-cholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00361	3b,7a-Dihydroxy-5b-cholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00384	3a,7a-Dihydroxycholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00411	3a,12b-Dihydroxy-5b-cholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00438	3b,12a-Dihydroxy-5b-cholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00478	Allodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00514	Allochenodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00518	Chenodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00626	Deoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00664	Isohyodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00686	Isoursodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00733	Hyodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00811	Murocholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB00946	Ursodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB02451	7b,12a-Dihydroxycholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB02488	7a,12b-dihydroxy-5b-Cholan-24-oic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB02536	Isodeoxycholic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+HMDB02585	3b,12b-Dihydroxy-5b-cholanoic acid	C24H40O4	392.292664	NA	HMDB2010	NA	NA
+EUR640	Chenodeoxycholic acid 	[M+H]+	392.2927	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR641	Deoxycholic acid,Na salt 	[M+H]+	392.2927	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR640	Chenodeoxycholic acid 	[M+H]+	392.2927	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR641	Deoxycholic acid,Na salt 	[M+H]+	392.2927	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR640	Chenodeoxycholic acid 	[M+H]+	392.2927	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR641	Deoxycholic acid,Na salt 	[M+H]+	392.2927	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR640	Chenodeoxycholic acid 	[M+H]+	392.2927	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+EUR641	Deoxycholic acid,Na salt 	[M+H]+	392.2927	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C02528	Chenodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C02530	Cholesterol ester	C28H45O2R	392.2927	NA	KEGG	NA	NA
+C02531	Collagen type VII	C28H45O2R	392.2927	NA	KEGG	NA	NA
+C04483	3alpha,12alpha-Dihydroxy-5beta-cholanate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C07880	Ursodiol	C24H40O4	392.2927	NA	KEGG	NA	NA
+C15515	6beta-Hydroxylithocholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C15517	Hyodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C17646	12-Epideoxycholic acid	C24H40O4	392.2927	NA	KEGG	NA	NA
+C17660	Isochenodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C17661	Isodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C17662	Isoursodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C17664	Allochenodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+C17687	Allodeoxycholate	C24H40O4	392.2927	NA	KEGG	NA	NA
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	HMDB	NA	NA
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	HMDB	NA	NA
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	Inhouse_PFEM	NA	NA
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	Inhouse_PFEM	NA	NA
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis004	Chenodeoxycholic acid	HMDB00518_RT14.75_add375,357	392.2933	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+MLBis008	Deoxycholic acid,Na salt	HMDB00626_RT14.43_add3758,357	392.2933	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+NOREF2	Chenodeoxycholique acid	NA	392.3	393.3072	Inhouse_sept12	NA	NA
+MJ053357	Ergosta-4,6,8(14),22-tetraen-3-one 	C28H40O	392.307915	NA	MeJP	NA	NA
+MJ053358	Ergosta-4,6,8(14),24(28)-tetraen-3-one 	C28H40O	392.307915	NA	MeJP	NA	NA
+MJ053359	Ergosta-4,6,8,22-tetraen-3-one 	C28H40O	392.307915	NA	MeJP	NA	NA
+MJ053360	17-Cheilanthene-6,13,19-triol 	C25H44O3	392.329045	NA	MeJP	NA	NA
+MJ053361	3-(11-Eicosynyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C25H44O3	392.329045	NA	MeJP	NA	NA
+MJ053362	4,6-Dihydroxy-6-(14-nonadecenyl)-2-cyclohexen-1-one 	C25H44O3	392.329045	NA	MeJP	NA	NA
+MJ053363	6-Heptadecyl-1,2,4-benzenetriol; 1,2-Di-Me ether 	C25H44O3	392.329045	NA	MeJP	NA	NA
+MJ053364	6-Heptadecyl-1,2,4-benzenetriol; 2,4-Di-Me ether 	C25H44O3	392.329045	NA	MeJP	NA	NA
+MJ053365	15,19-Hexacosadienoic acid 	C26H48O2	392.36543	NA	MeJP	NA	NA
+MJ053366	17,20-Hexacosadienoic acid 	C26H48O2	392.36543	NA	MeJP	NA	NA
+MJ053367	23-Methyl-5,9-pentacosadienoic acid 	C26H48O2	392.36543	NA	MeJP	NA	NA
+MJ053368	5,9-Hexacosadienoic acid 	C26H48O2	392.36543	NA	MeJP	NA	NA
+MJ053369	5,9-Hexaeicosadienoic acid 	C26H48O2	392.36543	NA	MeJP	NA	NA
+MJ053370	1-Cyclohexyl-11-heneicosanone 	C27H52O	392.401816	NA	MeJP	NA	NA
+3730	NA	YPFGFVG	392.6805	MH2+	Inhouse_peptide	NA	peptide
+MJ053371	2,5,6-Tribromo-1H-indole-3-carboxaldehyde; N-Me 	C10H6Br3NO	392.799951	NA	MeJP	NA	NA
+MJ053372	2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid, 4-Me ether, N,N,N-tri-Me, betaine 	C13H17Br2NO3	392.957518	NA	MeJP	NA	NA
+MJ053373	Spasmolytol 	C14H21Br2NO2	392.993904	NA	MeJP	NA	NA
+MJ053374	Tioxaprofen 	C18H13Cl2NO3S	392.999319	NA	MeJP	NA	NA
+MJ053375	Ambuside 	C13H16ClN3O5S2	393.021989	NA	MeJP	NA	NA
+MJ053376	2-(Methylthio)ethyl glucosinolate 	C10H19NO9S3	393.022193	NA	MeJP	NA	NA
+MJ053377	Enduracididine, N?-(6-Bromo-1H-indol-3-ylcarbonyl) 	C15H16BrN5O3	393.043652	NA	MeJP	NA	NA
+C16620	6-Methylthioguanosine monophosphate	C11H16N5O7PS	393.0508	NA	KEGG	NA	NA
+MJ053378	2-Mercaptoadenosine; S-Me, 5'-phosphate 	C11H16N5O7PS	393.050805	NA	MeJP	NA	NA
+MJ053379	Sulfaloxic acid 	C16H15N3O7S	393.06307	NA	MeJP	NA	NA
+MJ053380	Lorzafone 	C18H17Cl2N3O3	393.064696	NA	MeJP	NA	NA
+C11161	Ethidium bromide	C21H20N3	393.0841	NA	KEGG	NA	NA
+MJ053381	Fibrostatins; Fibrostatin A 	C18H19NO7S	393.088222	NA	MeJP	NA	NA
+MJ053382	Rubitecan 	C20H15N3O6	393.096085	NA	MeJP	NA	NA
+MJ053383	Salfredin C1; 5-Deoxo, N-(1,3-dicarboxypropyl) 	C18H19NO9	393.105981	NA	MeJP	NA	NA
+C01553	Amsacrine	C21H19N3O3S	393.1147	NA	KEGG	NA	NA
+MJ053384	Amsacrine 	C21H19N3O3S	393.114712	NA	MeJP	NA	NA
+MJ053385	?-Glutamyl-?-glutamylcysteine; L-L-L-form, S-Me 	C14H23N3O8S	393.120585	NA	MeJP	NA	NA
+MJ053386	?-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 	C14H23N3O8S	393.120585	NA	MeJP	NA	NA
+MJ053387	Ethyl N-nitratopivaloyl-S-(N-acetylglycyl)cysteinate 	C14H23N3O8S	393.120585	NA	MeJP	NA	NA
+PJ000833	DEM 	C14H23N3O8S	393.1206	NA	PeJP	NA	NA
+C05316	Dihydromacarpine	C22H19NO6	393.1212	NA	KEGG	NA	NA
+MJ053388	Dihydromacarpine 	C22H19NO6	393.121237	NA	MeJP	NA	NA
+MJ053389	Bungeanine 	C22H19NO6	393.121237	NA	MeJP	NA	NA
+MJ053390	Citropone A 	C22H19NO6	393.121237	NA	MeJP	NA	NA
+MJ053391	Dihydrochelirubine; 5-Methoxy 	C22H19NO6	393.121237	NA	MeJP	NA	NA
+MJ053392	Alkaloid PO4 	C22H20NO6(+)	393.121237	NA	MeJP	NA	NA
+MetaCyc03341	dihydromacarpine []	C22H19N1O6	393.121237	77785-12-7	metacyc	NA	NA
+CJneg0588	1,7-dimethyluric acid [(2M-H)]- (13C)	C1313CH15N8O6	393.123225	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0588	1,7-dimethyluric acid [(2M-H)]- (13C)	C1313CH15N8O6	393.123225	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C11797	Tifluadom	C22H20FN3OS	393.1311	NA	KEGG	NA	NA
+MJ053393	Tifluadom 	C22H20FN3OS	393.131111	NA	MeJP	NA	NA
+PJ000834	GSCQ 	C13H23N5O7S	393.1318	NA	PeJP	NA	NA
+MJ053394	Circumdatin A 	C21H19N3O5	393.13247	NA	MeJP	NA	NA
+MJ053395	Circumdatin E; 5-Methoxy 	C21H19N3O5	393.13247	NA	MeJP	NA	NA
+MJ053396	N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-3-methylbutanamide 	C18H23N3O5S	393.135841	NA	MeJP	NA	NA
+MJ053397	Pentetic acid 	C14H23N3O10	393.138343	NA	MeJP	NA	NA
+PJ000835	SSSN 	C13H23N5O9	393.1496	NA	PeJP	NA	NA
+PJ000836	PDY 	C18H23N3O7	393.1536	NA	PeJP	NA	NA
+MJ053398	8-Hydroxydihydrochelerythrine; Et ether 	C23H23NO5	393.157622	NA	MeJP	NA	NA
+MJ053399	Tylohirsutinidine 	C23H23NO5	393.157622	NA	MeJP	NA	NA
+MJ053400	Sanguilutine 	C23H24NO5(+)	393.157622	NA	MeJP	NA	NA
+7923	synthetic peptide	THH	393.163	antioxidative	Inhouse_peptide	NA	peptide
+MJ053401	2-Hydroxy-2-methylbutanoic acid, Nitrile, O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C16H27NO10	393.163496	NA	MeJP	NA	NA
+PJ000837	NNF 	C17H23N5O6	393.1648	NA	PeJP	NA	NA
+PJ000838	GGNF 	C17H23N5O6	393.1649	NA	PeJP	NA	NA
+PJ000839	GSCK 	C14H27N5O6S	393.1682	NA	PeJP	NA	NA
+MJ053402	CP 358774 	C22H23N3O4	393.168856	NA	MeJP	NA	NA
+PJ000840	PMF 	C19H27N3O4S	393.1722	NA	PeJP	NA	NA
+MJ053403	Amantocillin 	C19H27N3O4S	393.172227	NA	MeJP	NA	NA
+MJ053404	[1-[2-[(Methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl 1-methyl-1H-indole-3-carboxylate 	C19H27N3O4S	393.172227	NA	MeJP	NA	NA
+PJ000841	LMM 	C16H31N3O4S2	393.1756	NA	PeJP	NA	NA
+MJ053405	Antibiotic FR 900403 	C16H23N7O5	393.176066	NA	MeJP	NA	NA
+PJ000842	THH 	C16H23N7O5	393.1761	NA	PeJP	NA	NA
+MJ053406	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxybenzoyl), 6-Ac 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053407	Anacrotine; (E)-Isomer, O6-Ac 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053408	Anacrotine; O6-Ac 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053409	Gynuramine; 1''-Ac 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053410	Hackelidine; 7-Angeloyl 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053411	Hackelidine; Stereoisomer, 7-angeloyl 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053412	Ipanguline D3; 2''-Epimer, 7-O-(2-hydroxybenzoyl) 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053413	Ipanguline D3; 7-O-(2-Hydroxybenzoyl) 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053414	Madurensine; (15Z)-Isomer, O7-Ac 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+MJ053415	Madurensine; O7-Ac 	C20H27NO7	393.178752	NA	MeJP	NA	NA
+C10344	Latifoline	C20H27NO7	393.1788	NA	KEGG	NA	NA
+MJ053416	Pirenperone 	C23H24FN3O2	393.185255	NA	MeJP	NA	NA
+PJ000843	VEF 	C19H27N3O6	393.19	NA	PeJP	NA	NA
+C10620	(-)-Tylocrebrine	C24H27NO4	393.194	NA	KEGG	NA	NA
+C10623	Tylophorine	C24H27NO4	393.194	NA	KEGG	NA	NA
+C14015	Diphenhydramine salicylate	C17H21NO	393.194	NA	KEGG	NA	NA
+C14016	Transferred to D02236	C17H21NO	393.194	NA	KEGG	NA	NA
+C14017	Transferred to D02237	C17H21NO	393.194	NA	KEGG	NA	NA
+C14018	Transferred to D02238	C17H21NO	393.194	NA	KEGG	NA	NA
+C14019	Transferred to D02239	C17H21NO	393.194	NA	KEGG	NA	NA
+C14020	Transferred to D02240	C17H21NO	393.194	NA	KEGG	NA	NA
+MJ053417	13a-Methyltylohirsutinidine; 14-Deoxy 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053418	Ancistrobrevine B; Atropisomer, 3-epimer, 4'-O-de-Me 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053419	Ancistrobrevine B; Atropisomer, 4'-O-de-Me 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053420	Ancistrocladine; 4'-O-De-Me 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053421	Atalaphylline; 3-Me ether 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053422	Atalaphylline; N-Me 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053423	Dioncophyllinol B; 8-Me ether 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053424	Glycocitrine III 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053425	Hypoestestatin 2 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053426	Isotylocrebrine 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053427	Korupensamine A; 3-Epimer, N-Me 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053428	Korupensamine A; 5'-Me ether 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053429	Korupensamine A; Atropisomer, 1-epimer, 4'-O-de-Me, 5',8-di-Me ether 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053430	Korupensamine A; Atropisomer, 4'-O-de-Me, 5',8-di-Me ether 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053431	N-Methylbicycloatalaphylline 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053432	Tylocrebrine 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053433	Tyloindicine A 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053434	Tyloindicine B 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053435	Tylophorine 	C24H27NO4	393.194008	NA	MeJP	NA	NA
+MJ053436	4-[3-[3-(3-Hydroxyoctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid 	C21H31NO4S	393.197379	NA	MeJP	NA	NA
+3186	derivative of L-enkephalin	GGFLTRH	393.2	MH2+	Inhouse_peptide	NA	peptide
+MJ053437	2-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-1H-isoindole-1,3(2H)-dione 	C23H27N3O3	393.205241	NA	MeJP	NA	NA
+MJ053438	Benafentrine 	C23H27N3O3	393.205241	NA	MeJP	NA	NA
+MJ053439	Isocyclocelabenzine, 13-Hydroxy 	C23H27N3O3	393.205241	NA	MeJP	NA	NA
+MJ053440	Voacangine; 3-Carbonitrile 	C23H27N3O3	393.205241	NA	MeJP	NA	NA
+7541	ACE inhibitor from wheat germ hydrolysate	IVY	393.215	antioxidative	Inhouse_peptide	NA	peptide
+7749	ACE inhibitor from sea bream scales hydrolysate	VIY	393.215	antioxidative	Inhouse_peptide	NA	peptide
+8150	peptide derived from bovine kappa-casein (30-32)	YVL	393.215	stimulating	Inhouse_peptide	NA	peptide
+8268	f(30-32) of bovine kappa casein	YVL	393.215	NA  ;SYN:(Methylamino)acetate; (Methylamino)acetic acid; (Methylamino)ethanoate; (Methylamino)ethanoic acid; Methylglycine; N-Methylaminoacetate; N-Methylaminoacetic acid; N-Methylglycine; N-methyl-Glycine; Sarcosin; Sarcosinate; Sarcosine; Sarcosinic acid; (methylamino)-Acetate; (methylamino)-Acetic acidH2Blood; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ053441	Spirilene 	C24H28FN3O	393.22164	NA	MeJP	NA	NA
+MJ053442	Valistatin 	C20H31N3O5	393.226371	NA	MeJP	NA	NA
+PJ000844	VLY 	C20H31N3O5	393.2264	NA	PeJP	NA	NA
+C03887	Oxidized Cypridina luciferin	C21H27N7O	393.2277	NA	KEGG	NA	NA
+MJ053443	Cypridina Oxyluciferin 	C21H27N7O	393.227708	NA	MeJP	NA	NA
+MetaCyc03342	oxidized cypridina luciferin []	C21H27N7O1	393.227709	NA	metacyc	NA	NA
+MJ053444	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Nicotinoyl 	C25H31NO3	393.230393	NA	MeJP	NA	NA
+MJ053445	Acidissiminol 	C25H31NO3	393.230393	NA	MeJP	NA	NA
+MJ053446	Aurachin G 	C25H31NO3	393.230393	NA	MeJP	NA	NA
+MJ053447	Metindizate 	C25H31NO3	393.230393	NA	MeJP	NA	NA
+C15160	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-	C25H31NO3	393.2304	NA	KEGG	NA	NA
+C15162	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-	C25H31NO3	393.2304	NA	KEGG	NA	NA
+MJ053448	Mirisetron 	C24H31N3O2	393.241627	NA	MeJP	NA	NA
+MJ053449	Tardioxopiperazine A 	C24H31N3O2	393.241627	NA	MeJP	NA	NA
+MJ053450	Tardioxopiperazine B 	C24H31N3O2	393.241627	NA	MeJP	NA	NA
+MJ053451	Aconosine; 9-Hydroxy 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053452	Bicolorine 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053453	Chuanfumine 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053454	Dihydromonticamine 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053455	Karakolidine 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053456	Macrocentrine 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053457	Paniculamine 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053458	Talatizamine; O1,O18-Di-de-Me 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053459	Terbutaline, 3,5-Bis(2,2-dimethylpropanoyl) 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+MJ053460	Virescenine; 18-Demethoxy 	C22H35NO5	393.251523	NA	MeJP	NA	NA
+C12023	Undecylprodigiosin	C25H35N3O	393.278	NA	KEGG	NA	NA
+MJ053461	Amesergide 	C25H35N3O	393.278012	NA	MeJP	NA	NA
+MJ053462	Undecylprodigiosin 	C25H35N3O	393.278012	NA	MeJP	NA	NA
+MJ053463	Norcassaidide 	C23H39NO4	393.287908	NA	MeJP	NA	NA
+MJ053464	Norcassaidine 	C23H39NO4	393.287908	NA	MeJP	NA	NA
+MJ053465	Veratramine; 23-Deoxy 	C27H39NO	393.303164	NA	MeJP	NA	NA
+MJ053466	Oncinotine, 11-Oxo 	C23H43N3O2	393.335527	NA	MeJP	NA	NA
+MJ053467	Oncinotine, 12-Oxo 	C23H43N3O2	393.335527	NA	MeJP	NA	NA
+3732	NA	YPFGFTG	393.67	MH2+	Inhouse_peptide	NA	peptide
+3699	NA	NRKQDK	393.7084	MH2+	Inhouse_peptide	NA	peptide
+MJ053468	Triiodomethane 	CHI3	393.72123	NA	MeJP	NA	NA
+MJ053469	1,1,2-Tribromo-4-chloro-1-octen-3-one 	C8H10Br3ClO	393.79703	NA	MeJP	NA	NA
+MJ053470	1,2,4-Tribromo-1-chloro-1-octen-3-one 	C8H10Br3ClO	393.79703	NA	MeJP	NA	NA
+MJ053471	2-(Dibromomethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene 	C10H11Br2Cl3	393.829308	NA	MeJP	NA	NA
+MJ053472	2,4,5,7-Tetrachloro-1,3,6-trihydroxy-8-methylxanthone 	C14H6Cl4O5	393.896934	NA	MeJP	NA	NA
+MetaCyc03343	p-chloromercuriphenyl sulphonate [p-chloromercuriphenyl sulphonic acid;p-CMPSA;p-chloromercuriphenylsulphonate;]	C6H5O3S1CL1HG1	393.935418	NA	metacyc	NA	NA
+MJ053473	Chloromonilicin; Bromo analogue 	C16H11BrO7	393.968815	NA	MeJP	NA	NA
+MJ053474	Chloro(triethylarsine)gold(I) 	C6H15AsAuCl	393.974376	NA	MeJP	NA	NA
+MJ053475	2,7-Dihydroxy-1,3,2-benzodioxabismole-5-carboxylic acid 	C7H5BiO6	393.988996	NA	MeJP	NA	NA
+MJ053476	Palisadin B; 12-Hydroxy 	C15H24Br2O2	394.014305	NA	MeJP	NA	NA
+MJ053477	Palisadin B; 5?-Hydroxy 	C15H24Br2O2	394.014305	NA	MeJP	NA	NA
+MetaCyc03344	sucralose []	C13H21O7CL3	394.035286	NA	metacyc	NA	NA
+FL5FCBNSS001	Kaempferol 7,4'-dimethyl ether 3-O-sulfate	C17H14O9S	394.03585	58942-18-0	knapsack	NA	NA
+MJ053478	3,5-Dihydroxy-4',7-dimethoxyflavone; 3-O-Sulfate 	C17H14O9S	394.035852	NA	MeJP	NA	NA
+MJ053479	Rhodoptilometrin; 6-O-Sulfate 	C17H14O9S	394.035852	NA	MeJP	NA	NA
+MJ053480	Nidulin; O-De-Me, 4-dechloro 	C19H16Cl2O5	394.037479	NA	MeJP	NA	NA
+MJ053481	Herbamide A 	C16H21Cl3N2OS	394.044017	NA	MeJP	NA	NA
+MJ053482	Thienamycin; 6,8-Diepimer, N-Ac, O-sulfate 	C13H18N2O8S2	394.050456	NA	MeJP	NA	NA
+MJ053483	Thienamycin; 8-Epimer, N-Ac, O-sulfate 	C13H18N2O8S2	394.050456	NA	MeJP	NA	NA
+C17399	Epithienamycin F	C13H18N2O8S2	394.0505	NA	KEGG	NA	NA
+FL3FACNR0001	Demethyltorosaflavone C;cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione	C21H14O8	394.06886	145194-15-6	knapsack	NA	NA
+MJ053484	2',4,4',5,5',6-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5:4',5'-Bis(methylene), 6-Me ether 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053485	Anthracyclinone 58G 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053486	Antibiotic Sch 50673 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053487	Edgeworthin; 6-Me ether, 7-Ac 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053488	Preussomerin A; 3'?-Methoxy, 2',3'-dihydro, 1,1'-diketone 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053489	Tetracenomycin D3; 8-Me ether 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053490	Tetracenomycin D3; Me ester 	C21H14O8	394.068867	NA	MeJP	NA	NA
+MJ053491	Torosaflavone C; De-O-Me 	C21H14O8	394.068867	NA	MeJP	NA	NA
+C10877	Prostalidin A	C21H14O8	394.0689	NA	KEGG	NA	NA
+C12369	Tetracenomycin B3	C21H14O8	394.0689	NA	KEGG	NA	NA
+C12375	Tetracenomycin D3 methylester	C21H14O8	394.0689	NA	KEGG	NA	NA
+C06436	5'-Butyrylphosphouridine	C13H19N2O10P	394.0777	NA	KEGG	NA	NA
+C06437	1,3-Diacylglycerol	C5H6O5R2	394.0777	NA	KEGG	NA	NA
+MJ053492	Barbatic acid; 5-Chloro, 4-O-de-Me, Me ester 	C19H19ClO7	394.08193	NA	MeJP	NA	NA
+MJ053493	Paphencyl 	C19H20Cl2N2O3	394.085097	NA	MeJP	NA	NA
+MJ053494	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 4-Me ether, 9-O-?-D-glucopyranoside 	C18H18O10	394.089996	NA	MeJP	NA	NA
+MJ053495	2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 9?,10-Dihydroxy, 11-Ac, 9-sulfate 	C11H18N6O8S	394.090682	NA	MeJP	NA	NA
+MJ053496	2,6-Diamino-3a,4,9,10-tetrahydro-10-hydroxy-1H,8H-pyrrolo[1,2-c]purine-4-methanol; 9?,10-Dihydroxy, 11-Ac, 9-sulfate 	C11H18N6O8S	394.090682	NA	MeJP	NA	NA
+FL4DAANC0002	Gericudranin E	C22H18O7	394.10525	172104-07-3	knapsack	NA	NA
+FLIFHXNF0006	12a-Hydroxyisomillettone	C22H18O7	394.10525	-	knapsack	NA	NA
+FLIFHXNP0002	Millettosin;12a-Hydroxymillettone	C22H18O7	394.10525	-	knapsack	NA	NA
+FLIHBCNP0001	Robustin	C22H18O7	394.10525	22044-61-7	knapsack	NA	NA
+FLIHBCNP0003	Isorobustin	C22H18O7	394.10525	55607-51-7	knapsack	NA	NA
+MJ053497	12a-Hydroxyisomillettone 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053498	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-(4-Hydroxyphenylglyoxylyl) 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053499	3',4,4',5,6-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4,5,6-tri-Me ether 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053500	3',4,4',5,6-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5,6-tri-Me ether 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053501	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5,7-tri-Me ether 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053502	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5-Methylene, 3',4',7-tri-Me ether 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053503	3-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053504	Antibiotic MT 81 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053505	Austocystin H 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053506	Deoxypodophyllic acid; 7,7',8,8'-Tetradehydro, lactone 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053507	Diphyllin; Me ether 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053508	Durmillone; 5-Methoxy, 6-O-de-Me 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053509	Gericudranin E 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053510	Hydramycin 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053511	Isorobustin 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053512	Millettosin 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053513	Mycotoxin MT81 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053514	Phyllamyricin E 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053515	Robustin 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053516	Robustone; 10-Methoxy 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053517	Rubiginone D2; 4-Ac 	C22H18O7	394.105252	NA	MeJP	NA	NA
+MJ053518	Tetracenomycin D3; 5-Deoxo, 8-Me ether, Me ester 	C22H18O7	394.105252	NA	MeJP	NA	NA
+C10633	Justicidin A	C22H18O7	394.1053	NA	KEGG	NA	NA
+MJ053519	Bis(2-hydroxy-4-phenylbutyl) trisulfide 	C20H26O2S3	394.109492	NA	MeJP	NA	NA
+C15371	9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione	C20H27BrO3	394.1144	NA	KEGG	NA	NA
+PJ000845	GSCE 	C13H22N4O8S	394.1159	NA	PeJP	NA	NA
+MJ053520	Verrucarin F 	C21H18N2O6	394.116486	NA	MeJP	NA	NA
+MJ053521	6-Chloro-2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-1-carboxamide 	C21H19ClN4O2	394.119653	NA	MeJP	NA	NA
+CJneg0589	1,7-dimethyluric acid [(2M-H)]- (18O)	C14H15N8O518O	394.124125	C18rt(min)=4.96 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0589	1,7-dimethyluric acid [(2M-H)]- (18O)	C14H15N8O518O	394.124125	C18rt(min)=4.96 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ053522	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-O-?-D-Glucopyranoside 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053523	5-Acetonyl-6-glucosyl-7-hydroxy-2-methyl-4H-1-benzopyran-4-one 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053524	Aloesin 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053525	Aloesol; 2'-Ketone, 7-?-D-glucopyranoside 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053526	Cassiachromone; O-?-D-Glucopyranoside 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053527	Eurylactone B 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053528	Isoaloesin 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053529	Jasmolactone A; 3'-Hydroxy 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053530	Neoaloesin A 	C19H22O9	394.126382	NA	MeJP	NA	NA
+MJ053531	Podolactone A; 1?-Hydroxy 	C19H22O9	394.126382	NA	MeJP	NA	NA
+C08994	Aloesin	C19H22O9	394.1264	NA	KEGG	NA	NA
+C09172	Podolactone B	C19H22O9	394.1264	NA	KEGG	NA	NA
+PJ000846	SCW 	C17H22N4O5S	394.1311	NA	PeJP	NA	NA
+MJ053532	Fluacizine 	C20H21F3N2OS	394.132668	NA	MeJP	NA	NA
+PJ000847	SSSD 	C13H22N4O10	394.1336	NA	PeJP	NA	NA
+PJ000848	NMM 	C14H26N4O5S2	394.1345	NA	PeJP	NA	NA
+MJ053533	Imanixil 	C17H17F3N6O2	394.136508	NA	MeJP	NA	NA
+C07593	Rotenone	C23H22O6	394.1416	NA	KEGG	NA	NA
+C10076	Macluraxanthone	C23H22O6	394.1416	NA	KEGG	NA	NA
+C10417	Deguelin	C23H22O6	394.1416	NA	KEGG	NA	NA
+FL2F19NC0001	Purpurin	C23H22O6	394.14163	75775-33-6	knapsack	NA	NA
+FL2FCCNF0002	3',4'-Dihydroxy-7-methoxy-8-prenyl-5''-(2-hydroxyisopropyl)-[2'',3'':5,6]furanoflavanone	C23H22O6	394.14163	325149-80-2	knapsack	NA	NA
+FL3FCCNP0002	Muxiangrin I;Muxiangrine I;5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C23H22O6	394.14163	223917-00-8	knapsack	NA	NA
+FL5FDANF0003	8-C-Methylvellokaempferol 3,5-dimethyl ether	C23H22O6	394.14163	148335-04-0	knapsack	NA	NA
+FLIA1LNP0003	Barbigerone;Lonchocarpusone	C23H22O6	394.14163	75425-27-3	knapsack	NA	NA
+FLIF1LNF0001	Rotenone;Tubotoxin;Nicouline	C23H22O6	394.14163	83-79-4	knapsack	NA	NA
+FLIF1LNI0001	Myriconol	C23H22O6	394.14163	-	knapsack	NA	NA
+FLIF1LNP0001	(-)-cis-Deguelin	C23H22O6	394.14163	522-17-8	knapsack	NA	NA
+FLIFWXNF0007	Dehydrodihydrorotenone	C23H22O6	394.14163	6659-45-6	knapsack	NA	NA
+FLIHBBNP0002	Robustic acid methyl ether;Methyl robustate;O-Methylrobustic acid	C23H22O6	394.14163	5307-60-8	knapsack	NA	NA
+MJ053534	1-(1,3-Benzodioxol-5-yl)-3-(5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-1,3-propanedione; Enol-form, 3-Me ether 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053535	3',4',7-Trihydroxy-8-prenylfurano[2'',3'':5,6]flavanone, 7-Me ether 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053536	3-[2,3-Dihydro-2-(2-hydroxy-1-methylethyl)-5-benzofuranyl]-2-propenoic acid, 2'-O-(4-Hydroxycinnamoyl)(E-) 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053537	7-Prenyljacareubin 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053538	8,9-Epoxy-3,10-dihydroxy-p-mentha-1,3,5-trien-7-al; 3-O-(2-Methylpropanoyl), 10-O-cinnamoyl 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053539	8-C-Methylvellokaempferol; 3,5-Di-Me ether 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053540	Barbigerone 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053541	Caloxanthone A 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053542	Cudraxanthone B 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053543	Cudraxanthone K 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053544	Deguelin 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053545	Dehydrorotenone, 1',2'-Dihydro 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053546	Durallone 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053547	Elongatin; 5-Deoxy, 4'-Me ether 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053548	Garcinone B 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053549	Gerontoxanthone A 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053550	Gerontoxanthone B 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053551	Latisxanthone D 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053552	Macluraxanthone 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053553	Morusignin J 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053554	Muxiangrine I 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053555	Myriconol 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053556	Paxanthone B 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053557	Purpurin 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053558	Robustic acid; Me ether 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053559	Rotenone 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053560	Subelliptenone H 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053561	Toxyloxanthone A; 7-Hydroxy 	C23H22O6	394.141638	NA	MeJP	NA	NA
+MJ053562	Xanthone V1 	C23H22O6	394.141638	NA	MeJP	NA	NA
+PJ000849	NDF 	C17H22N4O7	394.1489	NA	PeJP	NA	NA
+MJ053563	Flucetorex 	C20H21F3N2O3	394.150427	NA	MeJP	NA	NA
+PJ000850	GSTM 	C14H26N4O7S	394.1522	NA	PeJP	NA	NA
+MJ053564	Alstonidine; 14-Oxo 	C22H22N2O5	394.152871	NA	MeJP	NA	NA
+MJ053565	Chanofruticosine methyl ester; 11,12-Methylenedioxy, 14,15-didehydro, N1-de(methoxycarbonyl) 	C22H22N2O5	394.152871	NA	MeJP	NA	NA
+MJ053566	Isochromophilone III; 8-Ac 	C21H27ClO5	394.154701	NA	MeJP	NA	NA
+MJ053567	Isochromophilone III; 8-Epimer, 8-Ac 	C21H27ClO5	394.154701	NA	MeJP	NA	NA
+MJ053568	Loteprednol 	C21H27ClO5	394.154701	NA	MeJP	NA	NA
+MJ053569	Mesuprine 	C19H26N2O5S	394.156242	NA	MeJP	NA	NA
+MJ053570	Enkastine; Enkastine 2 	C15H26N2O10	394.158745	NA	MeJP	NA	NA
+MJ053571	Trialaphos 	C14H27N4O7P	394.161735	NA	MeJP	NA	NA
+3501	ACE inhibitor from as1-casein	AYFYPE	394.1625	MH2+	Inhouse_peptide	NA	peptide
+MJ053572	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053573	1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-(Hydroxytigloyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053574	1,4,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 1-Hydroperoxide, 9-angeloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053575	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Me ether, 8-(methylpropenoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053576	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Tigloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053577	1,8-Dihydroxy-15-oxo-11(13)-eudesmen-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053578	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-(4-hydroxy-2-hydroxymethyl-2E-butenoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053579	15,16-Epoxy-4,10,18,19-tetrahydroxy-6-oxo-13(16),14-clerodadien-20,12-olide 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053580	2,3-Dihydroxy-5,6-dimethyl-1,4-benzoquinone; Aurantiogliocladin complex 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053581	2?,14:3?,4?-Diepoxy-2?,8?,10?-trihydroxy-1?,5?-guai-11(13)-en-12,6?-olide; 8-(2-Methylbutanoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053582	2?,14:3?,4?-Diepoxy-2?,8?,10?-trihydroxy-1?,5?-guai-11(13)-en-12,6?-olide; 8-(3-Methylbutanoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053583	3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053584	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl) 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053585	3,4-Epoxy-1,11-dihydroxy-7(14),9-bisaboladiene-2,8-dione, 7?,14-Epoxide, 11-hydroperoxide, 1-tigloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053586	3,8,9,10-Tetrahydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053587	4,19:15,16-Diepoxy-6,8,10,18-tetrahydroxy-13(16),14-clerodadien-20,12-olide 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053588	4,5:9,10-Diepoxy-3,6,13-trihydroxy-12,8-guaianolide, 3-Tigloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053589	4,7,7',8',9,9'-Hexahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan, 7'-Deoxy 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053590	6-Hydroxychaparrin; 6?-form, 2-Ketone 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053591	8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-Angeloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053592	8,9,15-Trihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053593	Bruceene 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053594	Brucein E; 15-Deoxy, 2-ketone 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053595	Brucein G 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053596	Cedronolactone D 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053597	Chaparrin; 2-Ketone, 13-hydroxy 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053598	Chaparrin; 2-Ketone, 14?-hydroxy 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053599	Gibberellin A13; 12?-Hydroxy 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053600	Gibberellin A13; 2?-Hydroxy 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053601	Gibberellin A19; 3?-Hydroxy, 20-carboxylic acid 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053602	Glaucarubol; 2-Ketone 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053603	Indaquassin B 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053604	Javanicin Y 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053605	Picrodendrin P 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053606	Plagiochiline V 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053607	Salignone B 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053608	Samaderine Z 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053609	Specionin 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053610	Teucrolivin F 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053611	Teulepicephin 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MJ053612	Vermiculin, 12S-Alcohol 	C20H26O8	394.162767	NA	MeJP	NA	NA
+MetaCyc03345	GA28 [gibberellin A28;gibberellin A28;GA28;]	C20H26O8	394.162768	NA	metacyc	NA	NA
+MetaCyc03346	GA43 [gibberellin A43;gibberellin A43;GA43;]	C20H26O8	394.162768	NA	metacyc	NA	NA
+C08764	Glaucarubolone	C20H26O8	394.1628	NA	KEGG	NA	NA
+MJ053613	Eperezolid 	C18H23FN4O5	394.165248	NA	MeJP	NA	NA
+C12228	Sanguilutine	C23H24NO5	394.1654	NA	KEGG	NA	NA
+PJ000851	SSTT 	C14H26N4O9	394.17	NA	PeJP	NA	NA
+MJ053614	1,3,5-Trihydroxy-2,4-diprenylxanthone; 3-Me ether 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053615	1,3,7-Trihydroxy-2,8-diprenylxanthone; 7-Me ether 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053616	1,3,8-Trihydroxy-6-methylxanthone; 3-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053617	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053618	2,3-Dihydro-7-hydroxy-2,3-dimethyl-3-[4-methyl-5-(4-methyl-2-furanyl)-3-pentenyl]-4H-furo[3,2-c]benzopyran-4-one 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053619	6,9-Dihydroxyfuranoeremophilan-1-one, 6-Cinnamoyl 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053620	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3',6'-Diketone 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053621	Pentomone 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053622	Vismiaphenone B; 4'-Hydroxy, 5-Me ether 	C24H26O5	394.178023	NA	MeJP	NA	NA
+MJ053623	Triamcinolone 	C21H27FO6	394.179166	NA	MeJP	NA	NA
+MJ053624	Neflumozide 	C22H23FN4O2	394.180504	NA	MeJP	NA	NA
+MJ053625	2-Hexen-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H30O10	394.183897	NA	MeJP	NA	NA
+MJ053626	3-Hexen-1-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H30O10	394.183897	NA	MeJP	NA	NA
+PJ000852	VNY 	C18H26N4O6	394.1852	NA	PeJP	NA	NA
+PJ000853	GGVY 	C18H26N4O6	394.1853	NA	PeJP	NA	NA
+MJ053627	16-Bromo-15-docosene-1,3-diyn-5-ol 	C22H35BrO	394.187128	NA	MeJP	NA	NA
+MJ053628	Akuammiline 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053629	Brucine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053630	Caracurine VII; Na,O-Di-Ac 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053631	Concusconine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053632	Cusconine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053633	Henningsiine; O-Ac 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053634	Icajine; 10-Methoxy 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053635	Icajine; 11-Methoxy 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053636	Isobrucine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053637	Jobertine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053638	Kopsijasmine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053639	Neblinine 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053640	Vomilenine; 19,20-Dihydro, Ac 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053641	Yohimbine, 19,20-Didehydro, O-Ac 	C23H26N2O4	394.189257	NA	MeJP	NA	NA
+MJ053642	Mitragynine; 3,5,6-N-Tetradehydro 	C23H27N2O4(+)	394.189257	NA	MeJP	NA	NA
+C09084	Brucine	C23H26N2O4	394.1893	NA	KEGG	NA	NA
+MJ053643	Diflucortolone 	C22H28F2O4	394.195565	NA	MeJP	NA	NA
+PJ000854	GRY 	C17H26N6O5	394.1965	NA	PeJP	NA	NA
+MJ053644	1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-O-Hexanoyl 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053645	1,4,15-Trihydroxy-11(13)-pseudoguaien-12,6-olide, 15-(2-Methylpropanoyl), 4-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053646	1,5,15-Trihydroxy-2,6,10-farnesatrien-12-al; Tri-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053647	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl), 1-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053648	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl), 6-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053649	1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide, 11?,13-Dihydro, 8-(2,3-epoxy-2-methylbutanoyl), 1-Me ether 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053650	11,12-Epoxy-7-drimene-1,3,11-triol, Tri-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053651	11,12-Epoxy-7-drimene-1,6,11-triol, Tri-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053652	11,12-Epoxy-8(12)-drimene-6,7,11-triol, Tri-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053653	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 1,3-di-Me ether 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053654	3,10-Epoxy-3,8,14-trihydroxy-4,11(13)-germacradien-12,6-olide, O3-Me, 8-(2-Methylbutanoyl) 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053655	3,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 3-Me ether, 8-O-(2-methylbutanoyl) 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053656	3,4-Dihydroxy-8-oxo-11(13)-eudesmen-12-oic acid, 3-(2,3-Epoxy-3-methylbutanoyl), Me ester 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053657	3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether, 3-angeloyl 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053658	3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-angeloyl 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053659	3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 3-Me ether, 8-angeloyl 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053660	4,8,10,13-Tetrahydroxy-5,7(11)-guaiadien-12,6-olide, 10,13-Di-Me ether, 8-(2-methylpropanoyl) 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053661	4-Hydroxy-9,11(13)-guaiadien-12,8-olide, 4-O-?-L-Rhamnopyranoside 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053662	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(2-Hydroxymethyl-2E-butenoyl), Me ester 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053663	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(3-Methyl-2E-pentenoyl) 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053664	7,20-Epoxy-1,6,7,12,20-pentahydroxy-16-kauren-15-one, 20-Me ether 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053665	7,20-Epoxy-1,6,7,14,20-pentahydroxy-16-kauren-15-one, 20-Me ether 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053666	7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol, 11-Formyl 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053667	8,10,12-Trihydroxy-5-longipinanone, Tri-Ac 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053668	8,15-Dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2-Methylbutanoyl), Me ester 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053669	Alternaric acid; 10-Deoxy 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053670	Isodotricin 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053671	Javanicin H 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053672	Javanicin L; 4?-Hydroxy, 16-ketone 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053673	Javanicin P 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053674	Nigakihemiacetal E 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053675	Nigakilactone M 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053676	Nigakilactone N 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053677	Plagiochiline P 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053678	Pterosin Z; O-?-D-Glucopyranoside 	C21H30O7	394.199153	NA	MeJP	NA	NA
+MJ053679	Secoeremopetasitolide B 	C21H30O7	394.199153	NA	MeJP	NA	NA
+C17035	Nigakilactone M	C21H30O7	394.1992	NA	KEGG	NA	NA
+C17036	Nigakilactone N	C21H30O7	394.1992	NA	KEGG	NA	NA
+C08582	Bixin	C25H30O4	394.2144	NA	KEGG	NA	NA
+C09760	Kazinol A	C25H30O4	394.2144	NA	KEGG	NA	NA
+FL1D1ANI0001	Gancaonin J	C25H30O4	394.2144	129280-37-1	knapsack	NA	NA
+FL1D1ANI0002	3-Geranyl-4,2',4'-trihydroxydihydrochalcone	C25H30O4	394.2144	-	knapsack	NA	NA
+FL1DA9NI0005	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone	C25H30O4	394.2144	77129-38-5	knapsack	NA	NA
+FL1DA9NR0004	(+)-Linderatin	C25H30O4	394.2144	94530-80-0	knapsack	NA	NA
+FL1DA9NR0012	(-)-Linderatin; (1S-trans)-3-Phenyl-1-[2,4,6-trihydroxy-3-[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-propanone	C25H30O4	394.2144	196089-62-0	knapsack	NA	NA
+FL6F1CNI0001	Kazinol A	C25H30O4	394.2144	99624-28-9	knapsack	NA	NA
+MJ053680	10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; Me ether 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053681	2',4',7-Trihydroxy-3',8-diprenylisoflavan 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053682	2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 2,4-Di-Me ether 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053683	3',4',7-Trihydroxy-2',5'-diprenylflavan 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053684	3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, 1'',2''-Dihydro 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053685	3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-propanone 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053686	4-Hydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one; 8'-Oxo 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053687	5',6-Bis(1,1-dimethyl-2-propenyl)-2',4',7-trihydroxyisoflavan 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053688	5'-(1,1-Dimethyl-2-propenyl)-2',4',7-trihydroxyisoflavan, 4'-O-(3-Methyl-2-butenyl) 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053689	Cometin B; Deoxy 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053690	Gancaonin J 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053691	Kazinol M 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053692	Linderatin 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053693	Manuifolin F 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053694	Nassauvirevolutin A; 3'-Ketone 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053695	Norbixin, Mono-Me ester 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053696	Norbixin, 6-Me ester 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053697	Sapriparaquinone; 4,18-Didehydro, 3-oxo, O-(3-methyl-2-butenyl) 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053698	Triptiliocoumarin; 5'-Epimer, 5'-hydroxy 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053699	Triptiliocoumarin; 5'-Hydroxy 	C25H30O4	394.214409	NA	MeJP	NA	NA
+MJ053700	Triptiliocoumarin; 8-Hydroxy 	C25H30O4	394.214409	NA	MeJP	NA	NA
+PJ000855	TKF 	C19H30N4O5	394.2216	NA	PeJP	NA	NA
+MJ053701	Rhizomycin 	C19H30N4O5	394.22162	NA	MeJP	NA	NA
+MJ053702	13-Hydroxylupanine; (E)-Cinnamoyl 	C24H30N2O3	394.225642	NA	MeJP	NA	NA
+MJ053703	13-Hydroxylupanine; (Z)-Cinnamoyl 	C24H30N2O3	394.225642	NA	MeJP	NA	NA
+MJ053704	Carfentanil 	C24H30N2O3	394.225642	NA	MeJP	NA	NA
+MJ053705	Coronaridine, 3-(2-Oxopropyl) 	C24H30N2O3	394.225642	NA	MeJP	NA	NA
+MJ053706	Coronaridine, 5R-(2-Oxopropyl) 	C24H30N2O3	394.225642	NA	MeJP	NA	NA
+MJ053707	Coronaridine, 5S-(2-Oxopropyl) 	C24H30N2O3	394.225642	NA	MeJP	NA	NA
+MJ053708	Fuchsiaefoline 	C24H31N2O3(+)	394.225642	NA	MeJP	NA	NA
+MJ053709	1,10:4,5-Diepoxy-2,6-germacranediol, 2-Angeloyl, 6-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053710	10(20)-Grayanotoxene-3,5,6,14,16-pentol, 14-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053711	10(20)-Grayanotoxene-3,5,6,14,16-pentol, 6-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053712	11(15?1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol, 9-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053713	14,15-Epoxy-11,13,15-trihydroxy-3-cyathen-17-oic acid, 11,13-Di-Me ether 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053714	16-Kaurene-1,3,6,11,15-pentol, 3-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053715	2,3,19-Trihydroxy-7-labden-15-oic acid, 19-Aldehyde, 2-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053716	2,9:3,16-Diepoxy-7,11-dihydroxy-4-asbestinanone, 11-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053717	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Dihydro, 3-(2,3-epoxy-2-methylbutanoyl), 4-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053718	3,7-Dihydroxy-2-oxo-3-cleroden-15-oic acid, 7-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053719	8,12-Epoxy-7(11)-eremophilene-3,6,8,12-tetrol, 8,12-Di-Me ether, 6-angeloyl 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053720	8,13-Epoxy-1,6,9-trihydroxy-14-labden-11-one, 1-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053721	8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one, 7-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053722	8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one, 6-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053723	8,13-Epoxy-6,7,9-trihydroxy-14-labden-11-one, 7-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053724	8-Daucene-4,6,10-triol, 8?,9?-Epoxide, 6-angeloyl, 10-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053725	9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide, 18-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053726	9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide, 3-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053727	9,13:15,16-Diepoxy-6,15-dihydroxy-7-labdanone, 6-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053728	9,13:15,16-Diepoxy-8,15-dihydroxy-7-labdanone, 8-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053729	Acanthoaustralide; 17-Acetoxy 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053730	Gingerdiols; [6]-Gingerdiol, 3'-Me ether, 3,5-di-Ac 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053731	Indicol; 4?-Hydroxy, 16-acetoxy 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053732	Javanicin L; 16-Me ether 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053733	Monocyclofarnesoic acid; (1,3-Diacetoxy-2-propyl) ester 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053734	Nigakihemiacetal C; 12-Me ether 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053735	Nigakihemiacetal C; 16-Me ether(16?-) 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053736	Pleuromutilin; 8-Hydroxy 	C22H34O6	394.235538	NA	MeJP	NA	NA
+MJ053737	1,20-Diisothiocyanato-1-eicosene 	C22H38N2S2	394.24764	NA	MeJP	NA	NA
+HMDB11154	LPA(P-16:0e/0:0)	C19H39O6P	394.248413	NA	HMDB2010	NA	NA
+MJ053738	17-Hydroxyandrostan-3-one, 17-Benzoyl 	C26H34O3	394.250794	NA	MeJP	NA	NA
+MJ053739	Avarone adduct A 	C26H34O3	394.250794	NA	MeJP	NA	NA
+C14259	Stanolone benzoate	C26H34O3	394.2508	NA	KEGG	NA	NA
+MJ053740	Oxiramide 	C25H34N2O2	394.262028	NA	MeJP	NA	NA
+C12000	Tylactone	C23H38O5	394.2719	NA	KEGG	NA	NA
+MJ053741	13-Labdene-8,15-diol, 15-Malonyl 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053742	15,16-Epoxy-3-clerodene-7,15,18-triol, 15-Me ether, 18-Ac 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053743	2-(10-Acetoxyundecyl)-3,5-diethyl-6-methoxy-4H-pyran-4-one 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053744	3-(15-Hydroxyhexadecyl)-4-methyl-2,5-furandione, Ac 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053745	7-Oxo-8-labden-15-oic acid, Glyceryl ester 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053746	9,13:15,16-Diepoxy-6,15-labdanediol, 15-Me ether, 6-Ac 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053747	Gemeprost 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053748	Muamvatin 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053749	Peroxyacarnoic acid A; 21,22-Dihydro 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053750	Protylonolide 	C23H38O5	394.271924	NA	MeJP	NA	NA
+MJ053751	5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone 	C27H38O2	394.28718	NA	MeJP	NA	NA
+MJ053752	Galloxanthin 	C27H38O2	394.28718	NA	MeJP	NA	NA
+MJ053753	Luvigenin 	C27H38O2	394.28718	NA	MeJP	NA	NA
+MJ053754	Sargaol 	C27H38O2	394.28718	NA	MeJP	NA	NA
+MJ053755	Sargaquinone 	C27H38O2	394.28718	NA	MeJP	NA	NA
+C16258	Petromyzonol	C24H42O4	394.3083	NA	KEGG	NA	NA
+MJ053756	3,6-Dihydroxy-2-(1-oxo-11-octadecenyl)-2-cyclohexen-1-one, 11',12'-Dihydro 	C24H42O4	394.308309	NA	MeJP	NA	NA
+MJ053757	Cholane-3,7,12,24-tetrol 	C24H42O4	394.308309	NA	MeJP	NA	NA
+MJ053758	Trifarin; 6,7,10,11-Tetrahydro 	C24H42O4	394.308309	NA	MeJP	NA	NA
+MJ053759	1,6-Cyclo-1,10-secoergosta-5,7,9,22-tetraen-3-ol 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053760	Ergosta-4,6,22E-trien-3-one 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053761	Ergosta-4,6,8(14),22-tetraen-3-ol 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053762	Ergosta-4,6,8(14),24(28)-tetraen-3-one; 24,28?-Dihydro 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053763	Ergosta-4,7,22-trien-3-one 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053764	Ergosta-5,7,14,22-tetraen-3-ol 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053765	Ergosta-5,7,22,24(28)-tetraen-3-ol 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053766	Ergosta-5,7,22,25-tetraen-3-ol 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053767	Ergosta-5,7,9(11),22-tetraen-3-ol 	C28H42O	394.323565	NA	MeJP	NA	NA
+MJ053768	Ergosta-5,7,22,24,(28)-tetraen-3beta-ol 	C28H42O	394.323566	NA	MeJP	NA	NA
+MetaCyc03347	ergosta-5,7,22,23-(28)-tetraen-3-&beta;-ol [ergosta-5,7,22,23,-(28)-tetraen-3-&beta;-ol;]	C28H42O1	394.323566	NA	metacyc	NA	NA
+MetaCyc03348	5,7,22,24(28)-ergostatetraenol [ergosta-5,7,22,24(24(1))-tetraen-3-&beta;-ol;]	C28H42O1	394.323566	NA	metacyc	NA	NA
+C05440	Ergosta-5,7,22,24(28)-tetraen-3beta-ol	C28H42O	394.3236	NA	KEGG	NA	NA
+MJ053769	3-(11-Eicosenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone 	C25H46O3	394.344695	NA	MeJP	NA	NA
+MJ053770	Stockerine 	C24H46N2O2	394.355928	NA	MeJP	NA	NA
+MJ053771	24-Nor-4(23),9(11)-fernadiene 	C29H46	394.359951	NA	MeJP	NA	NA
+MJ053772	Stigmasta-1,3,5-triene 	C29H46	394.359951	NA	MeJP	NA	NA
+MJ053773	10,12-Hexacosanedione 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053774	11,13-Hexacosanedione 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053775	17-Hexacosenoic acid 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053776	18-Hexacosenoic acid 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053777	21-Hexacosenoic acid 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053778	26-Hydroxyhexacosanoic acid; Lactone 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053779	4,6-Hexacosanedione 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053780	5,7-Hexacosanedione 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053781	6,8-Hexacosanedione 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053782	6-Heneicosyl-3,4,5,6-tetrahydro-2H-pyran-2-one 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053783	6-Hydroxy-8-hexacosen-3-one 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053784	7,9-Hexacosanedione 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053785	9-Hexacosenoic acid 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053786	Aparajitin 	C26H50O2	394.38108	NA	MeJP	NA	NA
+MJ053787	14-Heptacosanone 	C27H54O	394.417466	NA	MeJP	NA	NA
+MJ053788	3-Methylheptacosane 	C28H58	394.453851	NA	MeJP	NA	NA
+MJ053789	Octacosane 	C28H58	394.453851	NA	MeJP	NA	NA
+3262	b-casomorphin-7 (60-66)	YPFPGPI	394.696	MH2+	Inhouse_peptide	NA	peptide
+7665	ACE inhibitor from b-CN (60-66)	YPFPGPI	394.696	MH2+	Inhouse_peptide	NA	peptide
+8155	ACE inhibitor from b-CN (125-131)	LTLTDVE	394.69945	MH2+	Inhouse_peptide	NA	peptide
+MJ053790	7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Me ester 	C11H11Br2NO5	394.900397	NA	MeJP	NA	NA
+HMDB02206	Molybdopterin	C10H14N5O6PS2	395.012299	NA	HMDB2010	NA	NA
+HMDB02206	Molybdopterin	C10H14N5O6PS2	395.0123	http://www.hmdb.ca/metabolites/HMDB02206	HMDB	NA	NA
+C05924	Molybdopterin	C10H14N5O6PS2	395.0123	NA	KEGG	NA	NA
+HMDB02206	Molybdopterin	C10H14N5O6PS2	395.0123	HMDB02206	PFEM_hmdb_metabocards_official	NA	NA
+MJ053791	Tjipanazole J 	C20H11Cl2N3O2	395.022832	NA	MeJP	NA	NA
+C08110	Cefdinir	C14H13N5O5S2	395.0358	NA	KEGG	NA	NA
+MJ053792	Cefdinir 	C14H13N5O5S2	395.035809	NA	MeJP	NA	NA
+MJ053793	N?-(1H-Indol-3-ylcarbonyl)arginine, 6'-Bromo 	C15H18BrN5O3	395.059302	NA	MeJP	NA	NA
+MJ053794	Antibiotic TAN 850 	C12H17N3O10S	395.063464	NA	MeJP	NA	NA
+C16856	Gonyautoxin 2	C10H17N7O8S	395.0859	NA	KEGG	NA	NA
+C10962	Tribenuron methyl	C15H17N5O6S	395.09	NA	KEGG	NA	NA
+PJ000856	GCCN 	C12H21N5O6S2	395.0933	NA	PeJP	NA	NA
+PJ000857	GGGCC 	C12H21N5O6S2	395.0934	NA	PeJP	NA	NA
+MJ053795	Balaglitazone 	C20H17N3O4S	395.093976	NA	MeJP	NA	NA
+MJ053796	Fumaflorine; Me ester 	C21H17NO7	395.100501	NA	MeJP	NA	NA
+MJ053797	Ocominarone 	C21H17NO7	395.100501	NA	MeJP	NA	NA
+MJ053798	1-Ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]pyridinium(1+) 	C21H22N3OS2(+)	395.112603	NA	MeJP	NA	NA
+MJ053799	N-(4-Chlorophenyl)-N'-cyano-N''-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)guanidine 	C20H18ClN5O2	395.114902	NA	MeJP	NA	NA
+PJ000858	DMM 	C14H25N3O6S2	395.1185	NA	PeJP	NA	NA
+MJ053800	2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 5-(4-hydroxybenzoyl), 2-O-?-D-glucopyranoside 	C18H21NO9	395.121631	NA	MeJP	NA	NA
+MJ053801	Benzomalvin B; 19?,20?-Epoxide 	C24H17N3O3	395.126991	NA	MeJP	NA	NA
+PJ000859	DDF 	C17H21N3O8	395.1329	NA	PeJP	NA	NA
+MJ053802	Dehydrosaulatine 	C22H21NO6	395.136887	NA	MeJP	NA	NA
+MJ053803	Thalflavidine 	C22H21NO6	395.136887	NA	MeJP	NA	NA
+MJ053804	Alborine 	C22H22NO6(+)	395.136887	NA	MeJP	NA	NA
+C12474	Novobiocic acid	C22H21NO6	395.1369	NA	KEGG	NA	NA
+PJ000860	CHH 	C15H21N7O4S	395.1376	NA	PeJP	NA	NA
+MJ053805	Morniflumate 	C19H20F3N3O3	395.145676	NA	MeJP	NA	NA
+MJ053806	Orbifloxacin 	C19H20F3N3O3	395.145676	NA	MeJP	NA	NA
+MJ053807	Cyclopyrronium(1+); Bromide 	C20H30BrNO2	395.145991	NA	MeJP	NA	NA
+MJ053808	Scaevodimerine A; 1',2'-Didehydro, 1-oxo 	C21H21N3O5	395.14812	NA	MeJP	NA	NA
+MJ053809	Cloricromen 	C20H26ClNO5	395.14995	NA	MeJP	NA	NA
+MJ053810	Karnamicin D1 	C18H25N3O5S	395.151491	NA	MeJP	NA	NA
+MJ053811	Alazopeptin 	C15H21N7O6	395.155331	NA	MeJP	NA	NA
+8220	antioxidative peptide	TFE	395.157	Bile-acid glycine conjugates  ;SYN:3a,7a,12a-Trihydroxy-5b-cholan-24-oylglycine; 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-glycine; 3a,7a,12a-Trihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Cholylglycine; Glycine cholate; Glycocholate; Glycocholic acid; Glycoreductodehydrocholic acid; Glycylcholate; Glycylcholic acid; N-(carboxymethyl)-3a,7a,12a-trihydroxy-5b-Cholan-24-amide; N-Choloylglycine; N-choloyl-GlycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ053812	Coelenteramide; 4'-Deoxy 	C25H21N3O2	395.163376	NA	MeJP	NA	NA
+C03717	Oxidized Renilla luciferin	C25H21N3O2	395.1634	NA	KEGG	NA	NA
+C11563	1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline	C25H21N3O2	395.1634	NA	KEGG	NA	NA
+C07464	Ketanserin	C22H22FN3O3	395.1645	NA	KEGG	NA	NA
+MJ053813	Ketanserin 	C22H22FN3O3	395.164519	NA	MeJP	NA	NA
+PJ000861	VDY 	C18H25N3O7	395.1693	NA	PeJP	NA	NA
+3656	NA	VTDFYF	395.17045	MH2+	Inhouse_peptide	NA	peptide
+8240	Antioxidative peptide	LGFEYY	395.1705	MH2+	Inhouse_peptide	NA	peptide
+MJ053814	14-Hydroxyantofine; N-Oxide(?-) 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053815	4-Hydroxy-3,6,7-trimethoxyphenanthroindolizidine; 14-Hydroxy 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053816	Atalaphylline; ?3''-Isomer, 2''?-hydroxy 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053817	Buxifoliadine E 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053818	Dihydrosanguilutine 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053819	Isotylocrebrine, 14?-Hydroxy, 3-O-de-Me 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053820	Nalorphine; Di-O-Ac 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053821	Tylophorine, O7-De-Me, N-oxide 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053822	Tylophorinidine; O6-Me, 5-hydroxy 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053823	Tylophorinine, N-Oxide 	C23H25NO5	395.173272	NA	MeJP	NA	NA
+MJ053824	Abanoquil 	C22H25N3O4	395.184506	NA	MeJP	NA	NA
+MJ053825	Spirotryprostatin A 	C22H25N3O4	395.184506	NA	MeJP	NA	NA
+MJ053826	Vesnarinone 	C22H25N3O4	395.184506	NA	MeJP	NA	NA
+PJ000862	VMF 	C19H29N3O4S	395.1879	NA	PeJP	NA	NA
+MJ053827	Bisline; 12-Ac 	C20H29NO7	395.194402	NA	MeJP	NA	NA
+MJ053828	Bulgarsenine; O-Ac, N-oxide 	C20H29NO7	395.194402	NA	MeJP	NA	NA
+MJ053829	Platyphylline; (15E)-Isomer, 1?-hydroxy, 12-Ac 	C20H29NO7	395.194402	NA	MeJP	NA	NA
+MJ053830	Platyphylline; 1?-Hydroxy, 12-Ac 	C20H29NO7	395.194402	NA	MeJP	NA	NA
+MJ053831	Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 1'''-Deoxy, O3''-Ac 	C20H29NO7	395.194402	NA	MeJP	NA	NA
+MJ053832	Rosmarinine; 12-Ac 	C20H29NO7	395.194402	NA	MeJP	NA	NA
+MJ053833	Spiperone 	C23H26FN3O2	395.200905	NA	MeJP	NA	NA
+MJ053834	Apadoline 	C23H29N3OS	395.203133	NA	MeJP	NA	NA
+PJ000863	TLY 	C19H29N3O6	395.2056	NA	PeJP	NA	NA
+MJ053835	Ethaverine 	C24H29NO4	395.209658	NA	MeJP	NA	NA
+MJ053836	Melovinone 	C24H29NO4	395.209658	NA	MeJP	NA	NA
+MJ053837	Pibaxizine 	C24H29NO4	395.209658	NA	MeJP	NA	NA
+MJ053838	Septicine 	C24H29NO4	395.209658	NA	MeJP	NA	NA
+MJ053839	Tylohirsuticine 	C24H29NO4	395.209658	NA	MeJP	NA	NA
+MetaCyc03349	cetraxate benzyl ester [4-(aminomethyl)cyclohexane-1-carboxylic acid [4-(2- benzyloxycarbonylethyl)phenyl] ester;]	C24H29N1O4	395.209658	NA	metacyc	NA	NA
+C03256	Cetraxate benzyl ester	C24H29NO4	395.2097	NA	KEGG	NA	NA
+C03259	Coagulation Factor IXa	C24H29NO4	395.2097	NA	KEGG	NA	NA
+C03260	Coagulation Factor VII	C24H29NO4	395.2097	NA	KEGG	NA	NA
+C03261	Coagulation Factor XII	C24H29NO4	395.2097	NA	KEGG	NA	NA
+C03262	Coagulation Factor XIa	C24H29NO4	395.2097	NA	KEGG	NA	NA
+MJ053840	Eproxindine 	C23H29N3O3	395.220891	NA	MeJP	NA	NA
+MJ053841	Quinagolide 	C20H33N3O3S	395.224262	NA	MeJP	NA	NA
+MJ053842	Lasiocarpine; 3'-Deoxy 	C21H33NO6	395.230787	NA	MeJP	NA	NA
+MJ053843	Anopterimine 	C25H33NO3	395.246043	NA	MeJP	NA	NA
+MJ053844	Aurachin A 	C25H33NO3	395.246043	NA	MeJP	NA	NA
+MJ053845	Aurachin G; 1',2'-Dihydro 	C25H33NO3	395.246043	NA	MeJP	NA	NA
+MJ053846	N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-?-phenyl-1-piperazinepropanamide 	C24H33N3O2	395.257277	NA	MeJP	NA	NA
+MJ053847	N-(2-Hydroxycyclopentyl)-6-methyl-1-(1-methylethyl)ergoline-8-carboxamide 	C24H33N3O2	395.257277	NA	MeJP	NA	NA
+MJ053848	2-(Aminomethyl)-2-propenoic acid; N-(2-Acetoxy-2-pentadecenoyl), Me ester 	C22H37NO5	395.267173	NA	MeJP	NA	NA
+MJ053849	8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate 	C22H37NO5	395.267173	NA	MeJP	NA	NA
+MJ053850	Aphidicolin; 17-Glycine ester 	C22H37NO5	395.267173	NA	MeJP	NA	NA
+MJ053851	Diamocaine 	C25H37N3O	395.293662	NA	MeJP	NA	NA
+HMDB13334	9,12-Hexadecadienoylcarnitine	C23H41NO4	395.303558	NA	HMDB2010	NA	NA
+MJ053852	Verazine; ?4-Isomer, 20-epimer, 3-ketone 	C27H41NO	395.318814	NA	MeJP	NA	NA
+MJ053853	2-(Aminomethyl)-2-propenoic acid; N-Nonadecanoyl, Me ester 	C24H45NO3	395.339944	NA	MeJP	NA	NA
+MJ053854	Inandenin-10-one 	C23H45N3O2	395.351177	NA	MeJP	NA	NA
+MJ053855	Inandenin-11-one 	C23H45N3O2	395.351177	NA	MeJP	NA	NA
+MJ053856	Inandenin-12-one 	C23H45N3O2	395.351177	NA	MeJP	NA	NA
+MJ053857	Inandenin-13-one 	C23H45N3O2	395.351177	NA	MeJP	NA	NA
+8084	peptide derived from tuna cooking juice	SHDAHPE	395.65295	MH2+	Inhouse_peptide	NA	peptide
+MJ053858	Arsenic oxide (As4O6) 	As4O6	395.655873	NA	MeJP	NA	NA
+3633	NA	YPFGFY~	395.6755	MH2+	Inhouse_peptide	NA	peptide
+MJ053859	3,3-Dibromo-1-iodo-2-heptanone 	C7H11Br2IO	395.822133	NA	MeJP	NA	NA
+MJ053860	1,8-Dibromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene 	C10H13Br2Cl3	395.844958	NA	MeJP	NA	NA
+MJ053861	2-Bromo-1-bromomethyl-1,4-dichloro-5-(2-chloroethenyl)-5-methylcyclohexane 	C10H13Br2Cl3	395.844958	NA	MeJP	NA	NA
+MetaCyc03350	5,5'-dithio-bis(2-nitrobenzoic acid) [5-(3-carboxy-4-nitro-phenyl)disulfanyl-2-nitro-benzoic acid;DTNB;]	C14H8N2O8S2	395.972207	NA	metacyc	NA	NA
+MJ053862	2,10-Dibromo-3-chloro-7-chamigrene 	C15H23Br2Cl	395.985503	NA	MeJP	NA	NA
+MJ053863	3,10-Dibromo-2-chloro-7(14)-chamigrene 	C15H23Br2Cl	395.985503	NA	MeJP	NA	NA
+MJ053864	Sulconazole 	C18H15Cl3N2S	396.002152	NA	MeJP	NA	NA
+C08076	Sulconazole	C18H15Cl3N2S	396.0022	NA	KEGG	NA	NA
+C08077	Transferred to D00886	C18H15Cl3N2S	396.0022	NA	KEGG	NA	NA
+C08078	Transferred to D00887	C18H15Cl3N2S	396.0022	NA	KEGG	NA	NA
+MJ053865	Sucralose 	C12H19Cl3O8	396.01455	NA	MeJP	NA	NA
+C12285	Sucralose	C12H19Cl3O8	396.0146	NA	KEGG	NA	NA
+FL3FECNSS004	6-Methoxyluteolin 7-sulfate	C16H12O10S	396.01511	111534-77-1	knapsack	NA	NA
+FL3FECNSS006	6-Hydroxyluteolin 3'-methyl ether 7-sulfate	C16H12O10S	396.01511	111509-43-4	knapsack	NA	NA
+FL5FADNSS001	Persicarin	C16H12O10S	396.01511	549-31-5	knapsack	NA	NA
+FL5FADNSS002	Isorhamnetin 7-O-sulfate	C16H12O10S	396.01511	56857-60-4	knapsack	NA	NA
+FL5FAENSS001	Tamarixetin 3-O-sulfate	C16H12O10S	396.01511	97736-73-7	knapsack	NA	NA
+FL5FCCNSS001	Rhamnetin 3-O-sulfate	C16H12O10S	396.01511	60889-08-9	knapsack	NA	NA
+FL5FEANSS001	6-Hydroxykaempferol 3-methyl ether 7-O-sulfate	C16H12O10S	396.01511	78876-28-5	knapsack	NA	NA
+FL5FEANSS002	6-Methoxykaempferol 3-O-sulfate	C16H12O10S	396.01511	111348-29-9	knapsack	NA	NA
+MJ053866	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053867	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053868	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053869	3,4',5,6,7-Pentahydroxyflavone; 3-Me ether, 7-sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053870	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053871	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053872	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053873	4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-Sulfate 	C16H12O10S	396.015117	NA	MeJP	NA	NA
+MJ053874	Allorhizin 	C18H14Cl2O6	396.016743	NA	MeJP	NA	NA
+MJ053875	Pannarin; 7-Chloro 	C18H14Cl2O6	396.016743	NA	MeJP	NA	NA
+MJ053876	7-Bromo-7-dechlorogriseofulvin 	C17H17BrO6	396.02085	NA	MeJP	NA	NA
+MJ053877	Obtusenol 	C15H26Br2O2	396.029955	NA	MeJP	NA	NA
+MJ053878	Cefalotin 	C16H16N2O6S2	396.044977	NA	MeJP	NA	NA
+C07761	Cephalothin	C16H16N2O6S2	396.045	NA	KEGG	NA	NA
+C07762	Transferred to D00653	C16H16N2O6S2	396.045	NA	KEGG	NA	NA
+MJ053879	Vicanicin; Me ether 	C19H18Cl2O5	396.053129	NA	MeJP	NA	NA
+MJ053880	Australisin 	C17H16O11	396.069261	NA	MeJP	NA	NA
+CJneg0590	Hippuric acid [(2M-2H+K)]-	C18H16KN2O6	396.072925	C18rt(min)=5.87 Neg identified a,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0590	Hippuric acid [(2M-2H+K)]-	C18H16KN2O6	396.072925	C18rt(min)=5.87 Neg identified a,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ000864	GCCD 	C12H20N4O7S2	396.0774	NA	PeJP	NA	NA
+C12415	Nogalonic acid methyl ester	C21H16O8	396.0845	NA	KEGG	NA	NA
+C12417	Auraviketone	C21H16O8	396.0845	NA	KEGG	NA	NA
+C12421	Aklanonic acid	C21H16O8	396.0845	NA	KEGG	NA	NA
+FL5FECNF0001	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone	C21H16O8	396.08451	77970-08-2	knapsack	NA	NA
+MJ053881	2-(1,3-Benzodioxol-5-yl)-5,6-dimethoxy-4H-furo[2,3-h]-1-benzopyran-4-one; 3-Methoxy 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053882	4'-Demethylpodophyllotoxin; 7,7',8,8'-Tetradehydro 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053883	Aklanonic acid 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053884	Antibiotic F 9775A 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053885	Antibiotic F 9775B 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053886	Antibiotic RF 3192A 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053887	Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; 3,8,12-Tri-Me ether 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053888	Mitorubrin, 3'-Oxo 	C21H16O8	396.084517	NA	MeJP	NA	NA
+MJ053889	Sulfazecin 	C12H20N4O9S	396.095098	NA	MeJP	NA	NA
+MJ053890	Fentirin 	C19H22Cl2N2O3	396.100747	NA	MeJP	NA	NA
+MJ053891	2,5-Dihydroxybenzyl alcohol; 1'-O-(2-Furoyl), 2-O-?-D-glucopyranoside 	C18H20O10	396.105646	NA	MeJP	NA	NA
+MJ053892	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2-O-Acetyl-?-D-glucopyranoside) 	C18H20O10	396.105646	NA	MeJP	NA	NA
+MJ053893	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(6-O-Acetyl-?-D-glucopyranoside) 	C18H20O10	396.105646	NA	MeJP	NA	NA
+PJ000865	GSCM 	C13H24N4O6S2	396.1137	NA	PeJP	NA	NA
+MJ053894	Diphenicillin 	C21H20N2O4S	396.114377	NA	MeJP	NA	NA
+FL3FAINP0001	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C22H20O7	396.1209	259814-39-6	knapsack	NA	NA
+FL3FRNNF0002	Artonin L;5a,6-Dihydro-3,8-dihydroxy-1,10-dimethoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one	C22H20O7	396.1209	148719-52-2	knapsack	NA	NA
+FL3FRNNR0001	Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one	C22H20O7	396.1209	502718-04-9	knapsack	NA	NA
+FL5FDCNF0002	8-C-Methylvelloquercetin 3-methyl ether	C22H20O7	396.1209	148335-05-1	knapsack	NA	NA
+FL5FDDNF0001	Velloquercetin 3,3'-dimethyl ether	C22H20O7	396.1209	139955-65-0	knapsack	NA	NA
+FLIAAINP0001	Pumilaisoflavone D	C22H20O7	396.1209	122221-91-4	knapsack	NA	NA
+FLIAALNP0005	Elongatin	C22H20O7	396.1209	58084-80-3	knapsack	NA	NA
+FLIF1LNF0010	3-O-Demethylamorphigenin	C22H20O7	396.1209	98619-30-8	knapsack	NA	NA
+MJ053895	1,8-Dihydroxy-3-(methoxycarbonylmethyl)-2-(3-oxopentyl)anthraquinone 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053896	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4,5,7-Tetra-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053897	4,6,9-Trihydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one; 6-Pentanoyl 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053898	5-Hydroxy-2,2-dimethyl-8-(3,4,5-trihydroxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 3',5'-Di-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053899	8-C-Methylvellokaempferol; 3'-Hydroxy, 3-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053900	Aklavinone, 4-Deoxy 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053901	Amorphigenin; 3-O-De-Me 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053902	Artonin K; 6'-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053903	Austocystin B 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053904	Averufin; 6,8-Di-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053905	Collybolidol; 9-Epimer, O-benzoyl 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053906	Collybolidol; O-Benzoyl 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053907	Elliptone, 12S-Alcohol, Ac 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053908	Elongatin 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053909	Fernolin 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053910	Hyptinin 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053911	Mitorubrin, 2''-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053912	Pumilaisoflavone D 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053913	Toxicarolisoflavone; 4'-De-O-Me 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053914	Velloquercetin; 3',4'-Di-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053915	Velloquercetin; 3,3'-Di-Me ether 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053916	?-Apopicropodophyllin 	C22H20O7	396.120902	NA	MeJP	NA	NA
+MJ053917	Muralioside; 7-Epimer, 10-hydroxy 	C15H24O12	396.126776	NA	MeJP	NA	NA
+MetaCyc03351	phosphon D [CBBP;chlorfonium;chlorphonium;phosphon;]	C19H32P1CL3	396.130721	NA	metacyc	NA	NA
+PJ000866	SSTC 	C13H24N4O8S	396.1315	NA	PeJP	NA	NA
+MJ053918	Tripchlorolide 	C20H25ClO6	396.133966	NA	MeJP	NA	NA
+MJ053919	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 10,13-Di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053920	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8,13-Di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053921	3,10-Dihydroxy-4,11-dodecadiene-6,8-diynoic acid, 10-O-?-D-Glucopyranoside, Me ester 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053922	3,4,7,8,15-Scirpenepentol, 8-Ketone, 4,15-di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053923	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 15-Hydroperoxide, 8-(2-hydroxymethyl-2-propenoyl) 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053924	3,8,9,10-Tetrahydroxy-4,11(13)-guaiadien-12,6-olide, 3-Hydroperoxide, 8,9-di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053925	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,10-Di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053926	4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8,9-di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053927	4-Hydroxy-5-benzofuranpropanoic acid; Et ester, O-?-D-glucopyranoside 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053928	5,7-Dihydroxy-2,2,8-trimethyl-2H-1-benzopyran-6-carboxaldehyde; 7-O-?-D-Glucopyranoside 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053929	6,10-Epoxy-4,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,13-Di-Ac 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053930	6-Hydroxy-5-benzofuranpropanoic acid; Et ester, O-?-D-glucopyranoside 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053931	7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylylic acid; Me ether, ?-D-glucopyranosyl ester 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053932	8-?-D-Glucopyranosyl-5,7-dihydroxy-2-(1-methylpropyl)-4H-1-benzopyran-4-one 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053933	8-Glucosyl-5,7-dihydroxy-2-(1-methylpropyl)chromone 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053934	Aloesinol 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053935	Aloesol; 7-O-?-D-Glucopyranoside 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053936	Arenophthalide 	C19H24O9	396.142032	NA	MeJP	NA	NA
+MJ053937	Scoloposide C; O6-Deacyl 	C19H24O9	396.142032	NA	MeJP	NA	NA
+PJ000867	CQF 	C17H24N4O5S	396.1468	NA	PeJP	NA	NA
+MJ053938	N-[?-(Methoxycarbonyl)benzyl]-2-phenylquinoline-4-carboxamide 	C25H20N2O3	396.147392	NA	MeJP	NA	NA
+FL1C1LNP0002	Glabrachalcone	C23H24O6	396.15728	87457-88-3	knapsack	NA	NA
+FL1C2CNP0001	Ponganone VI;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4,5'-trimethoxychalcone	C23H24O6	396.15728	142608-92-2	knapsack	NA	NA
+FL1CBFNP0001	Glychalcone B;6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-3,4,6'-trimethoxychalcone	C23H24O6	396.15728	143885-76-1	knapsack	NA	NA
+FL1CCFNP0001	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone	C23H24O6	396.15728	143885-79-4	knapsack	NA	NA
+FL1CDCNI0001	Ovalichalcone A	C23H24O6	396.15728	73291-17-5	knapsack	NA	NA
+FL1CHYNI0006	Pongagallone B	C23H24O6	396.15728	107585-62-6	knapsack	NA	NA
+FL2F2CNP0002	Ponganone IV;(2S)-6,3',4'-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C23H24O6	396.15728	142608-90-0	knapsack	NA	NA
+FL2FBFNP0001	Glyflavanone B;(2S)-5,3',4'-Trimethyoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C23H24O6	396.15728	167568-53-8	knapsack	NA	NA
+FL3FCCNI0001	Muxiangrin III;Muxiangrine III;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one	C23H24O6	396.15728	223917-06-4	knapsack	NA	NA
+FLID3CNI0002	Neoraucarpan;3,4-Dimethoxy-8,9-methylenedioxy-2-prenylpterocarpan	C23H24O6	396.15728	63343-92-0	knapsack	NA	NA
+FLIF1LNI0002	Rotenonic acid	C23H24O6	396.15728	70191-71-8	knapsack	NA	NA
+FLIFUNNF0001	7a-O-Methyldeguelol	C23H24O6	396.15728	851606-54-7	knapsack	NA	NA
+FLIFUNNP0001	Rotenol	C23H24O6	396.15728	08/12/3276	knapsack	NA	NA
+MJ053939	1,3,5,6-Tetrahydroxy-2,4-diprenylxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053940	1,3,5,6-Tetrahydroxy-2,7-diprenylxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053941	1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053942	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053943	1,9-Bis(3,4-methylenedioxyphenyl)-1,3-nonanedione 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053944	2',3,4,4',6'-Pentahydroxy-3'-prenylchalcone; 4',6'-Di-Me, 3,4-methylene ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053945	3',4',5,7-Tetrahydroxy-6,8-dimethyl-5'-prenylflavone; 7-Me ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053946	3',4',5,7-Tetrahydroxy-8-prenylflavanone, 5,7-Di-Me ether, 3',4'-methylene ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053947	3',4',6,7-Tetrahydroxy-8-prenylisoflavone; 3',4',6-Tri-Me ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053948	4-(1,1-Dimethyl-2-propenyl)-1,3,5,6-tetrahydroxy-7-prenylxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053949	4-(3,7-Dimethyl-2,6-octadienyl)-1,3,5,6-tetrahydroxyxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053950	Alvaxanthone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053951	Calycinoxanthone D 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053952	Citflavanone, 3'-Methoxy, di-Me ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053953	Citrunobin; 3-Methoxy, 4-Me ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053954	Cudraniaxanthone; 3-O-De-Me, 6-O-(3-methyl-2-butenyl) 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053955	Cudraxanthone E; O-De-Me 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053956	Cudraxanthone J 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053957	Cudraxanthone L 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053958	Cudraxanthone M 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053959	Curcumin III; 3',3''-Dimethoxy 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053960	Gerontoxanthone C 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053961	Gerontoxanthone G 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053962	Gerontoxanthone I 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053963	Glabrachalcone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053964	Glychalcone A; 3'-Methoxy 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053965	Isolonchocarpin, 3',4',6-Trimethoxy 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053966	Isorheediaxanthone B 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053967	Macluraxanthone B 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053968	Morusignin G 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053969	Morusignin H 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053970	Neoraucarpanol; Me ether 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053971	Patulone 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053972	Paxanthonin; O-De-Me 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053973	Pongagallone B 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053974	Ponganone VI 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053975	Rheediaxanthone B 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053976	Rheediaxanthone C 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053977	Subelliptenone B 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053978	Subelliptenone I 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053979	Thwaitesixanthone; 5-Hydroxy, 1,2,11,12-tetrahydro 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053980	Tinifolin 	C23H24O6	396.157288	NA	MeJP	NA	NA
+MJ053981	Vismione B; 9-O-Ac 	C23H24O6	396.157288	NA	MeJP	NA	NA
+C10063	Gartanin	C23H24O6	396.1573	NA	KEGG	NA	NA
+MJ053982	Pradofloxacin 	C21H21FN4O3	396.159768	NA	MeJP	NA	NA
+MJ053983	7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 3-(3-Methylthiopropenoyl)(Z-), 6-Me ether 	C20H28O6S	396.160659	NA	MeJP	NA	NA
+MJ053984	Tiaprost 	C20H28O6S	396.160659	NA	MeJP	NA	NA
+MJ053985	2-Methylbutanoic acid, [?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C16H28O11	396.163161	NA	MeJP	NA	NA
+PJ000868	SQY 	C17H24N4O7	396.1645	NA	PeJP	NA	NA
+MJ053986	Aplysiadiol; 15-Me ether 	C21H33BrO2	396.166392	NA	MeJP	NA	NA
+MJ053987	5-Carboxytetrahydroalstonine; 5?-form 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053988	Benazeprilat 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053989	Chanofruticosine methyl ester; 11,12-Methylenedioxy, N1-de(methoxycarbonyl) 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053990	Corynantheidinalinic acid; 9-Methoxy 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053991	Difforlemenine 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053992	Fumaramidine 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053993	Fumaridine 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053994	Gardfloramine 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053995	Icajine; 19?,20?-Epoxide, 15-hydroxy 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053996	Vincarinine 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053997	Vomicine; 19?,20?-Epoxide 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053998	?-Colubrine; 12,16-Dihydroxy 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ053999	?-Colubrine; 12-Hydroxy, Nb-oxide 	C22H24N2O5	396.168521	NA	MeJP	NA	NA
+MJ054000	Chlorovulones, 10?,11?-Epoxide 	C21H29ClO5	396.170351	NA	MeJP	NA	NA
+PJ000869	GSPH 	C16H24N6O6	396.1758	NA	PeJP	NA	NA
+MJ054001	1,6,8-Trihydroxy-15-oxo-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethyl-2-propenoyl), Me ester 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054002	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Dihydroxy-2-hydroxymethylbutanoyl) 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054003	3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054004	3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl) 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054005	4,12-Tetradecadiene-8,10-diyne-1,6,7-triol, 6-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054006	4,12-Tetradecadiene-8,10-diyne-1,6,7-triol; 6-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054007	4,15-Epoxy-1,6,8-trihydroxy-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethylpropenoyl), Me ester 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054008	4-Hydroxy-3-(3-hydroxy-3-methyl-1-butenyl)acetophenone, 3'-Me ether, 4-O-?-D-glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054009	6,15-Epoxy-1,8,15-trihydroxy-11(13)-eudesmen-12-oic acid, 8-O-(2-Hydroxymethyl-2-propenoyl), Me ester 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054010	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(2,3-Epoxy-2-hydroxymethylpropanoyl), Me ester 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054011	8,9,15-Trihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(3-Methylbutanoyl) 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054012	Eremantholide B; ?4(15)-Isomer, 5?-hydroxy, 12,6-hydroxyacid 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054013	Gibberellin A41 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054014	Glaucarubol 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054015	Isopterosin C, 1-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054016	Klaineanone; 14?,15?-Dihydroxy 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054017	Picrodendrin O 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054018	Pterosin C, 4-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054019	Pterosin C, 10-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054020	Pterosin C, 4'-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054021	Pterosin D, 5-Hydroxy, 10-O-?-L-arabinopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054022	Pterosin L, 10-O-?-L-Arabinopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054023	Pterosin M, 4-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054024	Pterosin P, 4-O-?-D-Glucopyranoside 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054025	Sculponeatin D 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054026	Soulameanone 	C20H28O8	396.178417	NA	MeJP	NA	NA
+MJ054027	Vermiculin, 4S,12S-Dialcohol 	C20H28O8	396.178417	NA	MeJP	NA	NA
+PJ000870	CKF 	C18H28N4O4S	396.1831	NA	PeJP	NA	NA
+3768	dipeptidyl carboxypeptidase inhibitor	PPSP	396.188	ACE inhibitor	Inhouse_peptide	NA	peptide
+3778	dipeptidyl carboxypeptidase inhibitor	PPPS	396.188	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL1DHXNI0002	alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone	C24H28O5	396.19367	-	knapsack	NA	NA
+MJ054028	10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; ?3'-Isomer, 5'-hydroxy 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054029	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 4-Hydroxycinnamoyl (E-) 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054030	15-Hydroxy-3,11(13)-eudesmadien-12-oic acid; 4-Hydroxycinnamoyl (Z-) 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054031	2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054032	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Deoxo, ?1''-isomer, 3''-hydroxy 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054033	2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 4'-Hydroxy, 4-Me ether 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054034	2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-(2-Methylpropanoyl) 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054035	8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054036	Aphyllocladone 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054037	Clausarin; 2'',3''-Epoxide 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054038	Glechonin B 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054039	Hassanidin 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054040	Isovismiaphenone B; 3,4-Dihydro, 3-hydroxy, 5-Me ether 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054041	Karatavic acid 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054042	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 6'-Ketone 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054043	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054044	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 6'-Ketone 	C24H28O5	396.193674	NA	MeJP	NA	NA
+MJ054045	Trichodermolide 	C24H28O5	396.193674	NA	MeJP	NA	NA
+C14638	9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-	C21H29FO6	396.1948	NA	KEGG	NA	NA
+MJ054046	Zwittermicin A 	C13H28N6O8	396.196861	NA	MeJP	NA	NA
+C15726	Zwittermicin A	C13H28N6O8	396.1969	NA	KEGG	NA	NA
+C18044	3beta-Hydroxypregn-5-en-20-one sulfate	C21H32O5S	396.197	NA	KEGG	NA	NA
+HMDB00774	Pregnenolone sulfate	C21H32O5S	396.19705	http://www.hmdb.ca/metabolites/HMDB00774	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00774	Pregnenolone sulfate	C21H32O5S	396.19705	http://www.hmdb.ca/metabolites/HMDB00774	HMDB	NA	NA
+HMDB00774	Pregnenolone sulfate	C21H32O5S	396.19705	http://www.hmdb.ca/metabolites/HMDB00774	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00774	Pregnenolone sulfate	C21H32O5S	396.19705	HMDB00774	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00774	Pregnenolone sulfate	C21H32O5S	396.197052	NA	HMDB2010	NA	NA
+MJ054047	1-(3-Phenylpropyl)-4-[[2-(3-pyridinyl)-4-thiazolidinyl]carbonyl]piperazine 	C22H28N4OS	396.198382	NA	MeJP	NA	NA
+MJ054048	1-Hexanol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C17H32O10	396.199547	NA	MeJP	NA	NA
+MJ054049	1-Hexanol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H32O10	396.199547	NA	MeJP	NA	NA
+MJ054050	1-Hexanol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C17H32O10	396.199547	NA	MeJP	NA	NA
+7998	synthetic peptide	LHQ	396.2	antioxidative	Inhouse_peptide	NA	peptide
+PJ000871	SKY 	C18H28N4O6	396.2009	NA	PeJP	NA	NA
+C11784	Echitovenine	C23H28N2O4	396.2049	NA	KEGG	NA	NA
+MJ054051	2-[2-(Dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054052	Akuammidine; 10-Methoxy, N1-Me 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054053	Akuammiline; 1,2?-Dihydro 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054054	Akuammine; 10-Deoxy, 17S-methoxy 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054055	Akuammine; Me ether 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054056	Alloyohimbine, O-Ac 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054057	Cathafoline; 11-Methoxy, 10-formyl 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054058	Henningsoline; 12-Deoxy, 17-epimer, O17-Me 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054059	Holstiine; Me ether 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054060	Isositsirikine, O-Ac 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054061	Minovincinine, O-Ac 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054062	Mollenine A; N7-Formyl 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054063	Ochropamine; 11-Methoxy 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054064	Pacrinolol 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054065	Paynantheine 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054066	Perakine; Di-Me acetal 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054067	Pleiocarpine 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054068	Quinine; Ethylcarbonate 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054069	Refractidine 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054070	Refractine 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054071	Strychnobrasiline; 10-Methoxy 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054072	Tsilanine; 10-Methoxy 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054073	Vincamajine; 10-Methoxy 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054074	Vincamajine; 11-Methoxy 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054075	Yohimbine, O-Ac 	C23H28N2O4	396.204907	NA	MeJP	NA	NA
+MJ054076	Mitragynine; 3,N-Didehydro 	C23H29N2O4(+)	396.204907	NA	MeJP	NA	NA
+MJ054077	Polyneuridine; 11-Hydroxy, N1,N4-di-Me 	C23H29N2O4(+)	396.204907	NA	MeJP	NA	NA
+MJ054078	Polyneuridine; 11-Methoxy, N4-Me 	C23H29N2O4(+)	396.204907	NA	MeJP	NA	NA
+PJ000872	LQH 	C17H28N6O5	396.2121	NA	PeJP	NA	NA
+MJ054079	Etarotene 	C25H32O2S	396.2123	NA	MeJP	NA	NA
+MJ054080	1,4,6,8-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 6-Angeloyl, Me ester 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054081	11-Hydroxy-3-copaen-2-one; O-?-D-Glucopyranoside 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054082	2,6,11-Farnesatriene-1,5,10,14-tetrol, 1,5,14-Tri-Ac 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054083	2,6,9-Farnesatriene-1,5,11,14-tetrol, 1,5,14-Tri-Ac 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054084	3,6,8,10-Tetrahydroxy-7(11)-eremophilen-12,8-olide, 6-Me ether, 3-(2-methylbutanoyl) 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054085	3,8,11,12,14,15-Hexahydroxypregn-5-en-20-one 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054086	3,8,11,12,14,17-Hexahydroxypregn-5-en-20-one 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054087	3-Hydroxy-1(10),11-spirovetivadien-2-one; 3-O-?-D-Glucopyranoside 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054088	3-Hydroxy-7(11),9-eremophiladien-8-one; 3?-form, 3-O-?-D-Glucopyranoside 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054089	ACRL Toxins; ACRL toxin IV 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054090	Alternaric acid; 10-Deoxy, 6,19-dihydro 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054091	Cryptoporic acid I; 3-Deoxy 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054092	Javanicin Q 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054093	Rustmicin; 21-Hydroxy 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054094	Solanascone; 10-Hydroxy, 10-O-?-D-glucopyranoside 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054095	Solanascone; 9-Hydroxy, 9-O-?-D-glucopyranoside 	C21H32O7	396.214803	NA	MeJP	NA	NA
+MJ054096	Etonitazene 	C22H28N4O3	396.21614	NA	MeJP	NA	NA
+MJ054097	Aceperone 	C24H29FN2O2	396.221306	NA	MeJP	NA	NA
+3410	ACE inhibitor	ALPP	396.225	ACE inhibitor	Inhouse_peptide	NA	peptide
+7668	ACE inhibitor from k-CN (95-98)	AIPP	396.225	antioxidative	Inhouse_peptide	NA	peptide
+C15989	(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate	C18H37O7P	396.2277	NA	KEGG	NA	NA
+MJ054098	11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(3-Methyl-2-butenoyl) 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054099	17-Hydroxyestr-4-en-3-one; 17?-form, (2-Furanyl)propanoyl 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054100	2,8-Dihydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-4H-1-benzopyran-4-one 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054101	3,10-Epoxy-10,14-dihydronassauvirevolutin A 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054102	3-(4,8-Dimethyl-3,7-nonadienyl)-2,3-dihydro-7-hydroxy-2,3-dimethyl-4H-furo[3,2-c]benzopyran-4-one, Me ether 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054103	7,10-Epoxy-7,14-dihydronassauvirevolutin A 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054104	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,7,11-Trimethyl-2,6,10-dodecatrienyl) 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054105	8-Farnesylscopoletin 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054106	Amphidinolide V 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054107	Hippospongin 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054108	Ircinianin 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054109	Ircinic acid 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054110	Kazinol F 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054111	Luffarin T 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054112	Melengestrol; Ac 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054113	Nassauvirevolutin A 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054114	Nassauvirevolutin C 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054115	Naxaprostene 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054116	Okinonellin A 	C25H32O4	396.230059	NA	MeJP	NA	NA
+MJ054117	Wistarin 	C25H32O4	396.230059	NA	MeJP	NA	NA
+C14642	Melengestrol acetate	C25H32O4	396.2301	NA	KEGG	NA	NA
+7994	synthetic peptide	LHK	396.236	hypotensive	Inhouse_peptide	NA	peptide
+PJ000873	APPL 	C19H32N4O5	396.2373	NA	PeJP	NA	NA
+MJ054118	Antibiotic TAN 1251B 	C24H32N2O3	396.241292	NA	MeJP	NA	NA
+MJ054119	Enadoline 	C24H32N2O3	396.241292	NA	MeJP	NA	NA
+PJ000874	LKH 	C18H32N6O4	396.2485	NA	PeJP	NA	NA
+MJ054120	1,15,19-Trihydroxy-2,6,13-phytatrien-12-one, 15-Hydroperoxide, 19-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054121	1,6,10-Farnesatriene-3,12,14-triol, 14-O-(3-Hydroxy-3-methylbutanoyl), 12-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054122	10-Hydroxy-18-O-methylbetaenone C 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054123	13,14,15-Trihydroxy-1(10)-halimen-18-oic acid, 14-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054124	17,18,19-Trihydroxy-2,14-phytadien-20,1-olide, 18-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054125	2,3,19-Trihydroxy-7-labden-15-oic acid, 19-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054126	8-Daucene-4,6,10-triol, 8?,9?-Epoxide, 6-(3-methylbutanoyl), 10-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054127	9,11,15-Trihydroxyprosta-5,13-dienoic acid, 11-Ac 	C22H36O6	396.251188	NA	MeJP	NA	NA
+MJ054128	Tomexanthol; 1-Ac, 6?,7? 	C22H36O6	396.251188	NA	MeJP	NA	NA
+C14640	Estradiol 17beta-cyclopentylpropionate	C26H36O3	396.2664	NA	KEGG	NA	NA
+MJ054129	Avarone adduct A; 3',4'-Dihydro 	C26H36O3	396.266445	NA	MeJP	NA	NA
+MJ054130	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-(3-Cyclopentylpropanoyl) 	C26H36O3	396.266445	NA	MeJP	NA	NA
+MJ054131	Strongylophorine 5; 19-Aldehyde 	C26H36O3	396.266445	NA	MeJP	NA	NA
+MJ054132	Thiothece 425 	C26H36O3	396.266445	NA	MeJP	NA	NA
+MJ054133	14-Methylene-2,10-phytadiene-1,12,19,20-tetrol, 19-Ac 	C23H40O5	396.287574	NA	MeJP	NA	NA
+MJ054134	Denticulatin A 	C23H40O5	396.287574	NA	MeJP	NA	NA
+MJ054135	Pimilprost 	C23H40O5	396.287574	NA	MeJP	NA	NA
+MJ054136	Radiclonic acid 	C23H40O5	396.287574	NA	MeJP	NA	NA
+MJ054137	Metalkonium(1+); Chloride 	C23H41ClN2O	396.290741	NA	MeJP	NA	NA
+MJ054138	Bengamide K 	C22H40N2O4	396.298807	NA	MeJP	NA	NA
+C14156	delta-Tocotrienol	C27H40O2	396.3028	NA	KEGG	NA	NA
+MJ054139	18,22-Epoxycholesta-1,20(22)-dien-3-one 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054140	25,26,27-Trinor-3-oxocycloart-22-en-24-al; 22E-form 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054141	4,19-Epoxy-21-norergosta-7,17(20),24(28)-trien-3-ol 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054142	5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone; Hydroquinone 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054143	6-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzenediol 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054144	Astrogorgiadiol; 22,23-Didehydro(22E-), 9-ketone 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054145	Phyllofenone B 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054146	Spirosta-3,5-diene 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054147	?-Tocotrienol 	C27H40O2	396.30283	NA	MeJP	NA	NA
+MJ054148	3(20)-Phytene-1,2-diol, Di-Ac 	C24H44O4	396.323959	NA	MeJP	NA	NA
+EUR104	Ergocalciferol	C28H44O	396.3392	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR105	ergosterol	C28H44O	396.3392	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR104	Ergocalciferol	C28H44O	396.3392	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR105	ergosterol	C28H44O	396.3392	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR104	Ergocalciferol	C28H44O	396.3392	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR105	ergosterol	C28H44O	396.3392	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB06848	5-Dehydroepisterol	C28H44O	396.3392	http://www.hmdb.ca/metabolites/HMDB06848	HMDB	NA	NA
+EUR104	Ergocalciferol	C28H44O	396.3392	Wishlist	Inhousejuil11	NA	NA
+EUR105	ergosterol	C28H44O	396.3392	Wishlist	Inhousejuil11	NA	NA
+C01694	Ergosterol	C28H44O	396.3392	NA	KEGG	NA	NA
+C01695	Ferredoxin	C28H44O	396.3392	NA	KEGG	NA	NA
+C05441	Vitamin D2	C28H44O	396.3392	NA	KEGG	NA	NA
+C08823	Lichesterol	C28H44O	396.3392	NA	KEGG	NA	NA
+C08824	Gum ghatti	C28H44O	396.3392	NA	KEGG	NA	NA
+C15778	5,7,24(28)-Ergostatrienol	C28H44O	396.3392	NA	KEGG	NA	NA
+C15780	5-Dehydroepisterol	C28H44O	396.3392	NA	KEGG	NA	NA
+C15816	3-Keto-4-methylzymosterol	C28H44O	396.3392	NA	KEGG	NA	NA
+HMDB06848	5-Dehydroepisterol	C28H44O	396.3392	HMDB06848	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00878	Ergosterol	C28H44O	396.339203	NA	HMDB2010	NA	NA
+HMDB00900	Ergocalciferol	C28H44O	396.339203	NA	HMDB2010	NA	NA
+HMDB00981	4a-Methyl-5a-cholesta-8,24-dien-3-one	C28H44O	396.339203	NA	HMDB2010	NA	NA
+HMDB06838	3-Keto-4-methylzymosterol	C28H44O	396.339203	NA	HMDB2010	NA	NA
+HMDB06848	5-Dehydroepisterol	C28H44O	396.339203	NA	HMDB2010	NA	NA
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	HMDB	NA	NA
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	HMDB	NA	NA
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	Inhouse_PFEM	NA	NA
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	Inhouse_PFEM	NA	NA
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR104	Ergocalciferol	C28H44O	396.339215	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR105	Ergosterol	C28H44O	396.339215	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ054149	Ergosterol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054150	Vitamin D2 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054151	24-Methylcholesta-5,22-dien-3-ol, 3-Ketone 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054152	27-Norstigmasta-5,22,25-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054153	9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054154	9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054155	Ergosta-4,22-dien-3-one 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054156	Ergosta-5,20,24(28)-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054157	Ergosta-5,20,25-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054158	Ergosta-5,22,25-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054159	Ergosta-5,7,22-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054160	Ergosta-5,7,25-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054161	Ergosta-5,8,17(20)-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054162	Ergosta-5,8,22-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054163	Ergosta-7,14,22-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054164	Ergosta-7,22,24(28)-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054165	Ergosta-7,22-dien-3-one 	C28H44O	396.339216	NA	MeJP	NA	NA
+MJ054166	Ergosta-8,14,22-trien-3-ol 	C28H44O	396.339216	NA	MeJP	NA	NA
+MetaCyc03352	vitamin D2 [ergocalciferol;]	C28H44O1	396.339216	50-14-6	metacyc	NA	NA
+MetaCyc03353	lumisterol []	C28H44O1	396.339216	57-87-4	metacyc	NA	NA
+MetaCyc03354	ergosterol [provitamin D2;]	C28H44O1	396.339216	57-87-4	metacyc	NA	NA
+MetaCyc03355	4&alpha;-methyl-5&alpha;-cholesta-8,24-dien-3-one []	C28H44O1	396.339216	NA	metacyc	NA	NA
+MetaCyc03356	5,7,24(28)-ergostatrienol []	C28H44O1	396.339216	NA	metacyc	NA	NA
+MetaCyc03357	5-dehydro episterol []	C28H44O1	396.339216	NA	metacyc	NA	NA
+HMDB00900	Ergocalciferol	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB00900	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00878	Ergosterol	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB00878	HMDB	NA	NA
+HMDB00900	Ergocalciferol	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB00900	HMDB	NA	NA
+HMDB00981	4a-Methyl-5a-cholesta-8,24-dien-3-one	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB00981	HMDB	NA	NA
+HMDB06838	3-Keto-4-methylzymosterol	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB06838	HMDB	NA	NA
+HMDB06923	3-Keto-4-methylzymosterol	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB06923	HMDB	NA	NA
+HMDB00900	Ergocalciferol	C28H44O	396.33923	http://www.hmdb.ca/metabolites/HMDB00900	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00878	Ergosterol	C28H44O	396.33923	HMDB00878	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00900	Ergocalciferol	C28H44O	396.33923	HMDB00900	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00981	4a-Methyl-5a-cholesta-8,24-dien-3-one	C28H44O	396.33923	HMDB00981	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06838	3-Keto-4-methylzymosterol	C28H44O	396.33923	HMDB06838	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06923	3-Keto-4-methylzymosterol	C28H44O	396.33923	HMDB06923	PFEM_hmdb_metabocards_official	NA	NA
+MJ054167	Buxitrienine C; Deoxy 	C27H44N2	396.350449	NA	MeJP	NA	NA
+MJ054168	18-Hydroxy-21-pentacosenoic acid 	C25H48O3	396.360345	NA	MeJP	NA	NA
+MJ054169	24-Nor-12-oleanene 	C29H48	396.375601	NA	MeJP	NA	NA
+MJ054170	24-Nor-12-ursene 	C29H48	396.375601	NA	MeJP	NA	NA
+MJ054171	24-Nor-13(18)-oleanene 	C29H48	396.375601	NA	MeJP	NA	NA
+MJ054172	24-Nor-18-oleanene 	C29H48	396.375601	NA	MeJP	NA	NA
+MJ054173	Stigmasta-3,5-diene 	C29H48	396.375601	NA	MeJP	NA	NA
+HMDB02356	Hexacosanoic acid	C26H52O2	396.396729	NA	HMDB2010	NA	NA
+HMDB02356	Hexacosanoic acid	C26H52O2	396.39673	http://www.hmdb.ca/metabolites/HMDB02356	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02356	Hexacosanoic acid	C26H52O2	396.39673	http://www.hmdb.ca/metabolites/HMDB02356	HMDB	NA	NA
+MJ054174	11-Hydroxy-3-hexacosanone 	C26H52O2	396.39673	NA	MeJP	NA	NA
+MJ054175	26-Hydroxy-2-hexacosanone 	C26H52O2	396.39673	NA	MeJP	NA	NA
+MJ054176	5-Hydroxy-9-hexacosanone 	C26H52O2	396.39673	NA	MeJP	NA	NA
+MJ054177	6,8-Hexacosanedione; 6-Alcohol 	C26H52O2	396.39673	NA	MeJP	NA	NA
+MJ054178	Hexacosanoic acid 	C26H52O2	396.39673	NA	MeJP	NA	NA
+HMDB02356	Hexacosanoic acid	C26H52O2	396.39673	http://www.hmdb.ca/metabolites/HMDB02356	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02356	Hexacosanoic acid	C26H52O2	396.39673	HMDB02356	PFEM_hmdb_metabocards_official	NA	NA
+MJ054179	1-Heptacosanol 	C27H56O	396.433116	NA	MeJP	NA	NA
+MJ054180	1-Methoxy-2,22-dimethyltetracosane 	C27H56O	396.433116	NA	MeJP	NA	NA
+MJ054181	1-Methoxy-22-methylpentacosane 	C27H56O	396.433116	NA	MeJP	NA	NA
+MJ054182	10-Heptacosanol 	C27H56O	396.433116	NA	MeJP	NA	NA
+MJ054183	14-Heptacosanol 	C27H56O	396.433116	NA	MeJP	NA	NA
+MJ054184	25-Methyl-1-hexacosanol 	C27H56O	396.433116	NA	MeJP	NA	NA
+2624	synthetic fr,of human beta-CN (62-68) ACE inhibitor	LPQNILP	396.72845	MH2+	Inhouse_peptide	NA	peptide
+MJ054185	2,4,6-Tribromo-3-methylthio-1H-indole 	C9H6Br3NS	396.777107	NA	MeJP	NA	NA
+MJ054186	8-Hydroxy-5,7-diiodoquinoline 	C9H5I2NO	396.84605	NA	MeJP	NA	NA
+C07636	Iodoquinol	C9H5I2NO	396.8461	NA	KEGG	NA	NA
+C13102	Bismuth subnitrate	BiN3H2O9	396.9595	NA	KEGG	NA	NA
+MJ054187	Methalthiazide 	C12H16ClN3O4S3	396.999145	NA	MeJP	NA	NA
+MetaCyc03358	molybdopterin [MPT;]	C10H16N5O6P1S2	397.027961	NA	metacyc	NA	NA
+MJ054188	Cefedrolor 	C16H16ClN3O5S	397.049919	NA	MeJP	NA	NA
+MJ054189	Cefetamet 	C14H15N5O5S2	397.051459	NA	MeJP	NA	NA
+MJ054190	Oxaliplatin 	C8H14N2O4Pt	397.060131	NA	MeJP	NA	NA
+HMDB11610	5-Taurinomethyl-2-thiouridine	C12H19N3O8S2	397.061371	NA	HMDB2010	NA	NA
+MJ054191	Dysidine 	C16H22Cl3NO4	397.061441	NA	MeJP	NA	NA
+MJ054192	Deracoxib 	C17H14F3N3O3S	397.070796	NA	MeJP	NA	NA
+MJ054193	4-Dedimethylamino-4-oxo-anhydrotetracycline 	C20H15NO8	397.079766	NA	MeJP	NA	NA
+C06627	4-Dedimethylamino-4-oxo-anhydrotetracycline	C20H15NO8	397.0798	NA	KEGG	NA	NA
+MJ054194	Mefenidramium(1+); Iodide 	C18H24INO	397.090257	NA	MeJP	NA	NA
+MJ054195	Lobaplatin 	C9H18N2O3Pt	397.096516	NA	MeJP	NA	NA
+MJ054196	Rivoglitazone 	C20H19N3O4S	397.109626	NA	MeJP	NA	NA
+MJ054197	Eudistomidin B 	C21H24BrN3	397.11536	NA	MeJP	NA	NA
+MJ054198	Narlumidine 	C21H19NO7	397.116151	NA	MeJP	NA	NA
+MJ054199	O-Methylprechilenine 	C21H19NO7	397.116151	NA	MeJP	NA	NA
+MJ054200	Ochrobirine, O8-Ac, N-De-Me 	C21H19NO7	397.116151	NA	MeJP	NA	NA
+MJ054201	Glycopyrronium(1+), Bromide 	C19H28BrNO3	397.125256	NA	MeJP	NA	NA
+C16910	Acutumine	C19H24ClNO6	397.1292	NA	KEGG	NA	NA
+MJ054202	Acutumine 	C19H24ClNO6	397.129215	NA	MeJP	NA	NA
+MJ054203	Karnamicin A2 	C17H23N3O6S	397.130756	NA	MeJP	NA	NA
+PJ000875	CEF 	C17H23N3O6S	397.1308	NA	PeJP	NA	NA
+PJ000876	SEY 	C17H23N3O8	397.1485	NA	PeJP	NA	NA
+JH208	Quercetin N/A	NA	397.1504	17.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH208	Quercetin N/A	NA	397.1504	17.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH208	Quercetin N/A	NA	397.1504	17.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH208	Quercetin N/A	NA	397.1504	17.6	Inhousejuil11	NA	NA
+C15689	Aureothin	C22H23NO6	397.1525	NA	KEGG	NA	NA
+MJ054204	Adlumiceine enol lactone 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054205	Aureothin 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054206	Corydalic acid, Me ester 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054207	Corynolamine 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054208	Crebanine, 7R-Acetoxy 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054209	Densiflorine 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054210	Fumarophycine 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054211	Isoaureothin 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054212	Isotylocrebrine, 14?-Hydroxy, 3,4-di-O-de-Me, N-oxide 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054213	N-Methylhydrastine 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054214	Orientalidine 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054215	Phoebine, N-De-Me, N-Ac 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054216	Rhoeagenine; Et ether 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054217	Saulatine 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054218	Simulansamide 	C22H23NO6	397.152537	NA	MeJP	NA	NA
+MJ054219	Adlumine, N-Me 	C22H24NO6(+)	397.152537	NA	MeJP	NA	NA
+MJ054220	N-(9-Amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl)-3-pyridinecarboxamide 	C23H19N5O2	397.153874	NA	MeJP	NA	NA
+C13824	R-L3	C25H20FN3O	397.159	NA	KEGG	NA	NA
+MJ054221	Timiperone 	C22H24FN3OS	397.162411	NA	MeJP	NA	NA
+PJ000877	CLY 	C18H27N3O5S	397.1672	NA	PeJP	NA	NA
+MJ054222	6-[[3-Fluoro-5-(tetrahydro-4-methoxy-2H-pyran-4-yl)phenoxy]methyl]-1-methyl-2(1H)-quinolinone 	C23H24FNO4	397.168936	NA	MeJP	NA	NA
+MJ054223	2,4,7-Triamino-5-hydroxyoctanedioic acid, N2-?-D-Glucopyranosyl 	C14H27N3O10	397.169644	NA	MeJP	NA	NA
+PJ000878	NQH 	C15H23N7O6	397.171	NA	PeJP	NA	NA
+MJ054224	Dnacin A1 	C20H23N5O4	397.175004	NA	MeJP	NA	NA
+MJ054225	Zoloperone 	C22H24FN3O3	397.180169	NA	MeJP	NA	NA
+7990	synthetic peptide	LHE	397.184	inhibitor	Inhouse_peptide	NA	peptide
+MJ054226	Octaverine 	C23H27NO5	397.188922	NA	MeJP	NA	NA
+MJ054227	Pallimamine 	C23H27NO5	397.188922	NA	MeJP	NA	NA
+MJ054228	Vilmorrianone 	C23H27NO5	397.188922	NA	MeJP	NA	NA
+MJ054229	Datelliptium(1+); Chloride 	C23H28ClN3O	397.19209	NA	MeJP	NA	NA
+MJ054230	Latrunculin C 	C20H31NO5S	397.192293	NA	MeJP	NA	NA
+MJ054231	Sedoxantrone 	C21H27N5OS	397.193631	NA	MeJP	NA	NA
+PJ000879	LEH 	C17H27N5O6	397.1962	NA	PeJP	NA	NA
+C11761	Tridihexethyl bromide	C21H36NO	397.198	NA	KEGG	NA	NA
+MJ054232	Diperodon 	C22H27N3O4	397.200156	NA	MeJP	NA	NA
+MJ054233	1-(4-Fluorophenyl)-4-[4-(1-oxopropoxy)-4-phenyl-1-piperidinyl]-1-butanone 	C24H28FNO3	397.205321	NA	MeJP	NA	NA
+MJ054234	Flutropium(1+) 	C24H29FNO3(+)	397.205322	NA	MeJP	NA	NA
+MJ054235	Antibiotic LL-AM 31?; N4-Propanoyl 	C15H31N3O9	397.206029	NA	MeJP	NA	NA
+PJ000880	NKH 	C16H27N7O5	397.2074	NA	PeJP	NA	NA
+MJ054236	Echihumiline 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054237	Echimidine 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054238	Echiumine; 2'',3''-Epoxide 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054239	Echiumine; 2''E-Isomer, 1'''-hydroxy 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054240	Echiumine; 2''E-Isomer, N-oxide 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054241	Echiupinine; 4'''-Hydroxy 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054242	Echiupinine; N-Oxide 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054243	Heliosupine 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+MJ054244	Scorpioidine; Diastereoisomer, N-oxide 	C20H31NO7	397.210052	NA	MeJP	NA	NA
+C10299	Echimidine	C20H31NO7	397.2101	NA	KEGG	NA	NA
+C10319	Heliosupine	C20H31NO7	397.2101	NA	KEGG	NA	NA
+2655	synthetic fr, of human beta-CN (164-170) ACE inhibitor	IPQEVLP	397.22	MH2+	Inhouse_peptide	NA	peptide
+MJ054245	Antibiotic MT 10 	C19H31N3O6	397.221285	NA	MeJP	NA	NA
+MJ054246	Aspochalasin C; 17,18-Diketone 	C24H31NO4	397.225308	NA	MeJP	NA	NA
+MJ054247	Dehydronapelline; 12-Ketone, 15-Ac 	C24H31NO4	397.225308	NA	MeJP	NA	NA
+MJ054248	Drotaverine 	C24H31NO4	397.225308	NA	MeJP	NA	NA
+MJ054249	Fenaftic acid 	C24H31NO4	397.225308	NA	MeJP	NA	NA
+PJ000881	GPPK 	C18H31N5O5	397.2325	NA	PeJP	NA	NA
+MJ054250	Antibiotic 583 	C19H27N9O	397.233856	NA	MeJP	NA	NA
+MJ054251	2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-N,N-dimethyl-3-pyridinecarboxamide 	C22H31N5O2	397.247775	NA	MeJP	NA	NA
+HMDB12280	Phytosphingosine-1-P	C18H40NO6P	397.259338	NA	HMDB2010	NA	NA
+MJ054252	Valilactone 	C22H39NO5	397.282823	NA	MeJP	NA	NA
+HMDB13628	PGF2a ethanolamide	C22H39NO5	397.282837	NA	HMDB2010	NA	NA
+HMDB13629	PGD2 ethanolamide	C22H39NO5	397.282837	NA	HMDB2010	NA	NA
+MJ054253	Dioctatin; Dioctatin A 	C21H39N3O4	397.294056	NA	MeJP	NA	NA
+MJ054254	Buxaquamarine 	C26H39NO2	397.298079	NA	MeJP	NA	NA
+MJ054255	Sempervirone 	C26H39NO2	397.298079	NA	MeJP	NA	NA
+HMDB06317	trans-Hexadec-2-enoyl carnitine	C23H43NO4	397.31921	http://www.hmdb.ca/metabolites/HMDB06317	HMDB	NA	NA
+HMDB06317	trans-Hexadec-2-enoyl carnitine	C23H43NO4	397.31921	Long chain acyl carnitines  ;SYN:Linoleic acid carnitine; Linoleoyl carnitine; 3-carboxy-N,N,N-trimethyl-2-[[(9Z,12Z)-1-oxo-9,12-octadecadienyl]oxy]-1-Propanaminium; 3-carboxy-N,N,N-trimethyl-2-[(1-oxo-9,12-octadecadienyl)oxy]-1-Propanaminium; alpha-Linoleoylcarnitine; Decadienylcarnitine; 9,12-octadecadienylcarnitine; 9,12-octadecadienoylcarnitine; Octadecadienyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB06317	trans-Hexadec-2-enoyl carnitine	C23H43NO4	397.31921	HMDB06317	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06317	trans-Hexadec-2-enoyl carnitine	C23H43NO4	397.319214	NA	HMDB2010	NA	NA
+HMDB13207	9-Hexadecenoylcarnitine	C23H43NO4	397.319214	NA	HMDB2010	NA	NA
+MJ054256	Hosukinidine 	C27H43NO	397.334465	NA	MeJP	NA	NA
+MJ054257	Procevine 	C27H43NO	397.334465	NA	MeJP	NA	NA
+MJ054258	Shinonomenine 	C27H43NO	397.334465	NA	MeJP	NA	NA
+MJ054259	Solanidine 	C27H43NO	397.334465	NA	MeJP	NA	NA
+MJ054260	Veralinine 	C27H43NO	397.334465	NA	MeJP	NA	NA
+MJ054261	Verazine 	C27H43NO	397.334465	NA	MeJP	NA	NA
+HMDB03236	Solanidine	C27H43NO	397.33447	http://www.hmdb.ca/metabolites/HMDB03236	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03236	Solanidine	C27H43NO	397.33447	http://www.hmdb.ca/metabolites/HMDB03236	HMDB	NA	NA
+HMDB03236	Solanidine	C27H43NO	397.33447	http://www.hmdb.ca/metabolites/HMDB03236	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03236	Solanidine	C27H43NO	397.33447	HMDB03236	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03236	Solanidine	C27H43NO	397.334473	NA	HMDB2010	NA	NA
+C06543	Solanidine	C27H43NO	397.3345	NA	KEGG	NA	NA
+MJ054262	Inandenin-10-one; 10-Alcohol 	C23H47N3O2	397.366827	NA	MeJP	NA	NA
+MJ054263	Inandenin-11-one; 11-Alcohol 	C23H47N3O2	397.366827	NA	MeJP	NA	NA
+MJ054264	Inandenin-12-one; 12-Alcohol 	C23H47N3O2	397.366827	NA	MeJP	NA	NA
+MJ054265	Inandenin-13-one; 13-Alcohol 	C23H47N3O2	397.366827	NA	MeJP	NA	NA
+7630	ACE inhibitor from kappa-CN (fr, 25-30)	YIPIQY	397.702	MH2+	Inhouse_peptide	NA	peptide
+MJ054266	1,7-Dibromo-2,6,8-trichloro-3,7-dimethyl-3-octene 	C10H15Br2Cl3	397.860608	NA	MeJP	NA	NA
+MJ054267	5,8-Dibromo-3,6,7-trichloro-2,6-dimethyl-1-octene 	C10H15Br2Cl3	397.860608	NA	MeJP	NA	NA
+MJ054268	6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene 	C10H15Br2Cl3	397.860608	NA	MeJP	NA	NA
+MJ054269	7-Bromo-3-(bromomethyl)-2,3,6-trichloro-7-methyl-1-octene 	C10H15Br2Cl3	397.860608	NA	MeJP	NA	NA
+MJ054270	Bismuth potassium tartrate 	C4H6BiKO6	397.960528	NA	MeJP	NA	NA
+FL5FFCNSS001	Gossypetin 3-O-sulfate	C15H10O11S	397.99438	-	knapsack	NA	NA
+MJ054271	Erdin, Me ester 	C17H12Cl2O7	397.996008	NA	MeJP	NA	NA
+MJ054272	Lecideoidin 	C17H12Cl2O7	397.996008	NA	MeJP	NA	NA
+MJ054273	Norgangaleoidin 	C17H12Cl2O7	397.996008	NA	MeJP	NA	NA
+MJ054274	Melarsoprol 	C12H15AsN6OS2	397.996471	NA	MeJP	NA	NA
+C08001	Melarsoprol	C12H15AsN6OS2	397.9965	NA	KEGG	NA	NA
+MJ054275	Imidazenil 	C18H12BrFN4O	398.017851	NA	MeJP	NA	NA
+JH095	Caffeic acid [2M+K]+	NA	398.04041	12.21	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH095	Caffeic acid [2M+K]+	NA	398.04041	12.21	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH095	Caffeic acid [2M+K]+	NA	398.04041	12.21	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH095	Caffeic acid [2M+K]+	NA	398.04041	12.21	Inhousejuil11	NA	NA
+MJ054276	Clefamide 	C17H16Cl2N2O5	398.043627	NA	MeJP	NA	NA
+MJ054277	Paeciloquinone F 	C20H14O9	398.063782	NA	MeJP	NA	NA
+MJ054278	Sulfasalazine 	C18H14N4O5S	398.06849	NA	MeJP	NA	NA
+C07316	Sulfasalazine	C18H14N4O5S	398.0685	NA	KEGG	NA	NA
+MJ054279	Hamigeran E 	C18H23BrO5	398.072886	NA	MeJP	NA	NA
+PJ000882	ACCC 	C12H22N4O5S3	398.0753	NA	PeJP	NA	NA
+PJ000883	SSCC 	C12H22N4O7S2	398.093	NA	PeJP	NA	NA
+MJ054280	Asystasioside E 	C15H23ClO10	398.097974	NA	MeJP	NA	NA
+MJ054281	Glutinoside 	C15H23ClO10	398.097974	NA	MeJP	NA	NA
+MJ054282	Harpagide; 7?-Chloro 	C15H23ClO10	398.097974	NA	MeJP	NA	NA
+MJ054283	Mentzefoliol 	C15H23ClO10	398.097974	NA	MeJP	NA	NA
+FL4DECNF0001	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone	C21H18O8	398.10016	77970-10-6	knapsack	NA	NA
+MJ054284	2,3-Dihydro-3,5,6-trimethoxy-2-(3,4-methylenedioxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054285	3',4',5'-Trimethoxy-4,5-methylenedioxy-7-oxo-2,7'-cyclolignan-9',9-olide, 4'-O-De-Me 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054286	3,3',4',5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan, 3'-Deoxy 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054287	Antibiotic DC 44B 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054288	Averufin; 7-Methoxy 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054289	Junaphthoic acid 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054290	Lisetinone 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054291	Mitorubrin, 3'-Hydroxy 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054292	Oruwacin 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054293	Piscerisoflavone A; 7',8'-Didehydro 	C21H18O8	398.100167	NA	MeJP	NA	NA
+MJ054294	Preussomerin A; 3'?-Methoxy, 2',3'-dihydro 	C21H18O8	398.100167	NA	MeJP	NA	NA
+C12418	Dihydro-NAME	C21H18O8	398.1002	NA	KEGG	NA	NA
+C12419	Auramycinone	C21H18O8	398.1002	NA	KEGG	NA	NA
+MJ054295	Lavendamycin 	C22H14N4O4	398.101504	NA	MeJP	NA	NA
+MJ054296	Zearalenone, 4-Sulfate 	C18H22O8S	398.103538	NA	MeJP	NA	NA
+MJ054297	Diflomotecan 	C21H16F2N2O4	398.107813	NA	MeJP	NA	NA
+MJ054298	10-Bromo-3-chamigrene-1,9-diol; Di-Ac 	C19H27BrO4	398.109271	NA	MeJP	NA	NA
+C06654	4-Dedimethyl-6-dehydro-anhydrotetracycline	C20H18N2O7	398.1114	NA	KEGG	NA	NA
+MJ054299	4-Dedimethyl-6-dehydro-anhydrotetracycline 	C20H18N2O7	398.1114	NA	MeJP	NA	NA
+MJ054300	10-Hydroxycanthin-6-one; O-?-D-Glucopyranoside 	C20H18N2O7	398.1114	NA	MeJP	NA	NA
+MJ054301	11-Hydroxycanthin-6-one; O-?-D-Glucopyranoside 	C20H18N2O7	398.1114	NA	MeJP	NA	NA
+MJ054302	9-Hydroxycanthin-6-one; O-?-D-Glucopyranoside 	C20H18N2O7	398.1114	NA	MeJP	NA	NA
+C09288	Acroptilin	C19H23ClO7	398.1132	NA	KEGG	NA	NA
+MJ054303	15-Chloro-2,3,4,8-tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl) 	C19H23ClO7	398.11323	NA	MeJP	NA	NA
+MJ054304	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2,3-Epoxy-2-methylpropanoyl)(R-) 	C19H23ClO7	398.11323	NA	MeJP	NA	NA
+MJ054305	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2,3-Epoxy-2-methylpropanoyl)(S-) 	C19H23ClO7	398.11323	NA	MeJP	NA	NA
+MJ054306	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Hydroxymethylpropenoyl) 	C19H23ClO7	398.11323	NA	MeJP	NA	NA
+MJ054307	4,15-Epoxy-3,8-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl) 	C19H23ClO7	398.11323	NA	MeJP	NA	NA
+MJ054308	4,15-Epoxy-3,9-dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 9-(3-Chloro-2-hydroxy-2-methylpropanoyl) 	C19H23ClO7	398.11323	NA	MeJP	NA	NA
+C04425	S-Adenosyl-4-methylthio-2-oxobutanoate	C15H20N5O6S	398.1134	NA	KEGG	NA	NA
+MetaCyc03359	S-adenosyl-4-methylthio-2-oxobutanoate []	C15H20N5O6S1	398.113429	NA	metacyc	NA	NA
+MJ054309	Blespirol 	C25H18O5	398.115423	NA	MeJP	NA	NA
+MJ054310	Interruptin B 	C25H18O5	398.115423	NA	MeJP	NA	NA
+MJ054311	3-O-Caffeoylquinic acid, 5'-Methoxy, 3'-Me ether 	C18H22O10	398.121296	NA	MeJP	NA	NA
+MJ054312	4,6-Dihydroxy-5-benzofuranpropanoic acid; 4-Me ether, 6-O-?-D-glucopyranoside 	C18H22O10	398.121296	NA	MeJP	NA	NA
+MJ054313	5,7-Dihydroxy-6-benzofuranpropanoic acid; 7-Me ether, 5-O-?-D-glucopyranoside 	C18H22O10	398.121296	NA	MeJP	NA	NA
+MJ054314	6-Hydroxy-5-benzofuranpropanoic acid; 7-Methoxy, O-?-D-glucopyranoside 	C18H22O10	398.121296	NA	MeJP	NA	NA
+MJ054315	Taraxacoside 	C18H22O10	398.121296	NA	MeJP	NA	NA
+PJ000884	CNY 	C16H22N4O6S	398.126	NA	PeJP	NA	NA
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR373	Riboflavine F2	NA	398.126375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR373	Riboflavine F2	NA	398.126375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR373	Riboflavine F2	NA	398.126375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR373	Riboflavine F2	NA	398.126375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR373	Riboflavin F2	F2	398.126375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ054316	5,12-Dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylic acid; Di-Me ester 	C24H18N2O4	398.126657	NA	MeJP	NA	NA
+MJ054317	Asterriquinone D 	C24H18N2O4	398.126657	NA	MeJP	NA	NA
+C17097	Caulerpin	C24H18N2O4	398.1267	NA	KEGG	NA	NA
+FL1CG9NI0001	3'-Angeloyloxy-4',6'-dihydroxy-2',5'-dimethoxychalcone	C22H22O7	398.13655	129724-40-9	knapsack	NA	NA
+FL3FA9CS0003	Hoslunddiol	C22H22O7	398.13655	135404-53-4	knapsack	NA	NA
+FL3FAINI0001	Baohuosu	C22H22O7	398.13655	119730-90-4	knapsack	NA	NA
+FL3FALNI0021	Artoindonesianin Q;2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C22H22O7	398.13655	502718-00-5	knapsack	NA	NA
+FL3FALNI0022	Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C22H22O7	398.13655	502718-02-7	knapsack	NA	NA
+FL5FCENI0001	Rhynchospermin	C22H22O7	398.13655	80370-37-2	knapsack	NA	NA
+FL5FCENI0002	Isorhynchospermin	C22H22O7	398.13655	101770-13-2	knapsack	NA	NA
+FL5FDCNI0001	5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone;6-Prenylquercetin 3-methyl ether;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C22H22O7	398.13655	151649-35-3	knapsack	NA	NA
+FL5FDDNI0003	5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone	C22H22O7	398.13655	53766-24-8	knapsack	NA	NA
+FL5FDDNI0006	5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one	C22H22O7	398.13655	200011-31-0	knapsack	NA	NA
+FL5FDENI0001	5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one	C22H22O7	398.13655	443729-38-2	knapsack	NA	NA
+FL5FEANI0002	5,7-Dihydroxy-3,6-dimethoxy-4'-prenyloxyflavone	C22H22O7	398.13655	160036-23-7	knapsack	NA	NA
+FL5FF9NI0004	Gnaphaliin 7-epoxymethylbutyl ether	C22H22O7	398.13655	94390-13-3	knapsack	NA	NA
+FL5FFANI0002	5,7-Dihydroxy-3,8-dimethoxy-4'-prenyloxyflavone	C22H22O7	398.13655	160036-30-6	knapsack	NA	NA
+FL5FFANI0004	5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C22H22O7	398.13655	156298-97-4	knapsack	NA	NA
+FLIAALNI0007	Viridiflorin;5,7,4'-Trihydroxy-2',5'-dimethoxy-6-prenylisoflavone	C22H22O7	398.13655	97730-85-3	knapsack	NA	NA
+FLIAALNI0010	2'-Hydroxypiscerythrinetin;5,7,2'-Trihydroxy-4',5'-dimethoxy-3'-prenylisoflavone	C22H22O7	398.13655	126484-17-1	knapsack	NA	NA
+MJ054318	1-Ethyl-3,8-dihydroxyanthraquinone; 3-O-(2,6-Dideoxy-?-D-arabino-hexopyranoside) 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054319	12,20:15,16-Diepoxy-20-hydroxy-7-oxo-1,3,13(16),14-clerodatetraen-18,19-olide, 20-Ac 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054320	2',3',4',5',6'-Pentahydroxychalcone; 2,5-Di-Me ether, 3-angeloyl 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054321	2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 4',5'-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054322	2',4',5,5',7-Pentahydroxy-6-prenylisoflavone; 2',5'-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054323	3',4',5,5',7-Pentahydroxy-8-prenylflavone; 3',5'-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054324	3',4',5,7-Tetrahydroxy-5'-prenylisoflavone; ?1'',2''-Isomer, 3''-hydroxy, 3',4'-di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054325	3,3',4',5,7-Pentahydroxy-6-prenylflavone; 3,7-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054326	3,3',4',5,7-Pentahydroxy-6-prenylflavone; 4',7-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054327	3,3',4',5,7-Pentahydroxy-8-prenylflavone; 4',7-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054328	3,3',4,4',5-Pentahydroxylign-7-en-9,9'-olide, 3',4'-Methylene, 3,4,5-tri-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054329	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-Me ether, 4'-O-(3-methyl-2-butenyl) 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054330	3,4',5,7,8-Pentahydroxy-6-prenylflavone; 3,8-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054331	3,5,7,8-Tetrahydroxyflavone; 3,8-Di-Me ether, 7-O-(2,3-epoxy-3-methylbutyl) 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054332	4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 7-O-(3-Methyl-2-butenyl) 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054333	4',5,7-Trihydroxy-3,8-dimethoxyflavone; 4'-O-(3-Methyl-2-butenyl) 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054334	5'-Demethoxy-?-peltatin A; Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054335	8,9-Dihydro-3,5,7-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-4H-phenaleno[1,2-b]furan-4,6(5H)-dione 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054336	Averufanin, 6,8-Di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054337	Curcumin; 5'-Methoxy 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054338	Deoxypodophyllic acid; 2-Epimer, lactone 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054339	Deoxypodophyllic acid; 7',8'-Diepimer, lactone 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054340	Deoxypodophyllic acid; 8,8'-Diepimer, lactone 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054341	Deoxypodophyllic acid; Lactone 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054342	Eupomatilone 6; 3,6-Didehydro 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054343	Formosalactone 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054344	Hexademethylpyrimidatin A; 4,5:4',5'-Bis(methylene), 3,3'-di-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054345	Hoslunddiol 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054346	Jacareubin; 12-Methoxy, tri-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054347	Mitorubrin, 1',2'-Dihydro, 2''-Me ether 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054348	Salvigenolide 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054349	Schizanlignaol D; Ketone 	C22H22O7	398.136553	NA	MeJP	NA	NA
+MJ054350	Wuweizisu C; 7,7'-Epoxide 	C22H22O7	398.136553	NA	MeJP	NA	NA
+C10556	Deoxypodophyllotoxin	C22H22O7	398.1366	NA	KEGG	NA	NA
+C00019	S-Adenosyl-L-methionine	C15H22N6O5S	398.1372	NA	KEGG	NA	NA
+MJ054351	Ademetionine 	C15H22N6O5S	398.137238	NA	MeJP	NA	NA
+MJ054352	4'-[[2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl][1,1'-biphenyl]-2-carboxylic acid 	C22H23ClN2O3	398.13972	NA	MeJP	NA	NA
+MJ054353	Fursultiamine 	C17H26N4O3S2	398.144632	NA	MeJP	NA	NA
+MJ054354	15-Bromo-9(11)-parguerene-2,7,16-triol 	C20H31BrO3	398.145657	NA	MeJP	NA	NA
+MJ054355	Fumschleicherine 	C21H22N2O6	398.147786	NA	MeJP	NA	NA
+MJ054356	Cloperidone 	C21H23ClN4O2	398.150953	NA	MeJP	NA	NA
+MJ054357	4,9-Dihydroxy-1,2,6,7,11,12-hexamethylperylene-3,10-quinone 	C26H22O4	398.151809	NA	MeJP	NA	NA
+MJ054358	Cryptolepicarboline 	C27H18N4	398.153146	NA	MeJP	NA	NA
+PJ000885	NEH 	C15H22N6O7	398.155	NA	PeJP	NA	NA
+MJ054359	1,2:3,4-Diepoxy-8,10-dihydroxy-12,6-guaianolide, 8-(2,3-Dihydroxy-2-methylpropanoyl) 	C19H26O9	398.157682	NA	MeJP	NA	NA
+MJ054360	3,10-Dihydroxy-11-dodecene-6,8-diynoic acid, 10-O-?-D-Glucopyranoside, Me ester 	C19H26O9	398.157682	NA	MeJP	NA	NA
+MJ054361	3,4,7,8,15-Scirpenepentol, 4,15-Di-Ac 	C19H26O9	398.157682	NA	MeJP	NA	NA
+MJ054362	Camostat 	C20H22N4O5	398.159019	NA	MeJP	NA	NA
+MJ054363	Zepastine 	C22H26N2O3S	398.166413	NA	MeJP	NA	NA
+MetaCyc03360	N-benzoyl-D-arginine-4-nitroanilide []	C19H22N6O4	398.170253	NA	metacyc	NA	NA
+C04303	N-Benzoyl-D-arginine-4-nitroanilide	C19H22N6O4	398.1703	NA	KEGG	NA	NA
+C04305	N-Long-chain-fatty-acyl-L-glutamate	C6H8NO5R	398.1703	NA	KEGG	NA	NA
+PJ000886	GHW 	C19H22N6O4	398.1703	NA	PeJP	NA	NA
+MJ054364	Lolidine 	C18H27ClN4O4	398.172083	NA	MeJP	NA	NA
+FL6DDANP0001	3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan	C23H26O6	398.17293	462109-98-4	knapsack	NA	NA
+FLIDHXNI0007	Sphenostylin A;(6aS,11aS)-6a-Hydroxy-3,8,9-trimethoxy-10-prenylpterocarpan	C23H26O6	398.17293	115610-53-2	knapsack	NA	NA
+MJ054365	10-Hydroxy-2-oxo-8-daucen-12,5-olide, 10-(4-Methoxybenzoyl) 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054366	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3,6-Bis(methylpropenoyl) 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054367	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3,4-Dimethyl-3-pentenoyl) 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054368	Demethylcacalohastine; 3?-Angeloyloxy, 14-acetoxy, 9-Me ether 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054369	Demethylcacalohastine; 3?-Hydroxy, 14-angeloyloxy, O-propanoyl 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054370	Garvin A 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054371	Kanzonol N; 4'-Me ether 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054372	Leptosphaerodione; 1-Ethoxy 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054373	Norlobaridone 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054374	Rotenonic acid; 12a-Hydroxy 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054375	Sphenostylin B; 3,8-Di-Me ether 	C23H26O6	398.172938	NA	MeJP	NA	NA
+MJ054376	Vismione A 	C23H26O6	398.172938	NA	MeJP	NA	NA
+7553	ACE inhibitor	CWLPVY	398.173	MH2+	Inhouse_peptide	NA	peptide
+MJ054377	N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylphenyl)urea 	C24H22N4O2	398.174275	NA	MeJP	NA	NA
+C15026	L-365260	C24H22N4O2	398.1743	NA	KEGG	NA	NA
+MJ054378	Pinoxepin 	C23H27ClN2O2	398.176105	NA	MeJP	NA	NA
+MJ054379	16-Hydroxy-6,8(14)-isopimaradien-19-oic acid; 16-Sulfate 	C20H30O6S	398.176309	NA	MeJP	NA	NA
+MJ054380	2,4-Pentanediol, 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C16H30O11	398.178811	NA	MeJP	NA	NA
+PJ000887	GPPE 	C17H26N4O7	398.1802	NA	PeJP	NA	NA
+MJ054381	11,12-Methylenedioxykopsinaline 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054382	11-Methoxyneooxydiaboline 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054383	5-Carboxycorynanthine 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054384	Akuammine; N4-Oxide 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054385	Aricine pseudoindoxyl 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054386	Caboxine A 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054387	Cuanzine 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054388	Gardneramine; O18-De-Me 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054389	Henningsoline 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054390	Isocaboxine A 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054391	Javaphylline 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054392	Lanceomigine; N4-Oxide 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054393	Picrinine; 10,11-Dimethoxy 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054394	Rotundifoline; 18,19-Didehydro 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054395	Rumberine; Me ether 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054396	Tabernulosine 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054397	Tetraphylline oxindole A 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054398	Tetraphylline pseudoindoxyl 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054399	Vandrikine; 20-Hydroxy 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054400	Vincaminine; 11-Methoxy 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054401	Vincarodine 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054402	Vinosidine 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054403	Voacristine; 3-Oxo 	C22H26N2O5	398.184171	NA	MeJP	NA	NA
+MJ054404	3-Chloro-18,19-epoxy-4,19-dihydroxy-13-cleroden-15,16-olide, 19-Me ether 	C21H31ClO5	398.186001	NA	MeJP	NA	NA
+MJ054405	Moveltipril 	C19H30N2O5S	398.187542	NA	MeJP	NA	NA
+MJ054406	4a,9b-Dihydro-2-[2-hydroxy-5-(2-propenyl)phenyl]-8,9b-di-2-propenyl-3(4H)-dibenzofuranone 	C27H26O3	398.188194	NA	MeJP	NA	NA
+MJ054407	Dunnianol 	C27H26O3	398.188194	NA	MeJP	NA	NA
+MJ054408	Isodunnianol 	C27H26O3	398.188194	NA	MeJP	NA	NA
+8066	synthetic peptide	RHS	398.191	antioxidative	Inhouse_peptide	NA	peptide
+PJ000888	DKH 	C16H26N6O6	398.1914	NA	PeJP	NA	NA
+MJ054409	2-(1-Heptenyl)-3-(hydroxymethyl)-1,4-benzenediol; 1-O-?-D-Glucopyranoside 	C20H30O8	398.194067	NA	MeJP	NA	NA
+MJ054410	2-Pinen-6-ol, O-(2,6-Diacetyl-?-D-glucopyranoside) 	C20H30O8	398.194067	NA	MeJP	NA	NA
+MJ054411	3,4,8,15-Scirpenetetrol, 8-(3-Hydroxy-3-methylbutanoyl) 	C20H30O8	398.194067	NA	MeJP	NA	NA
+MJ054412	Cinncassiol E 	C20H30O8	398.194067	NA	MeJP	NA	NA
+MJ054413	Klaineanone; ?4-Isomer, 14?,15?-dihydroxy, 2?-alcohol 	C20H30O8	398.194067	NA	MeJP	NA	NA
+MJ054414	Ptaquiloside 	C20H30O8	398.194067	NA	MeJP	NA	NA
+MJ054415	Pterisol C; 1-O-?-D-Glucopyranoside 	C20H30O8	398.194067	NA	MeJP	NA	NA
+C17659	Cinncassiol E	C20H30O8	398.1941	NA	KEGG	NA	NA
+MJ054416	9,11-Epidithio-15-hydroxy-5,13-prostadienoic acid, Me ester 	C21H34O3S2	398.194936	NA	MeJP	NA	NA
+PJ000889	PPW 	C21H26N4O4	398.1954	NA	PeJP	NA	NA
+MJ054417	2,7-Diethyl-5-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5H-pyrazolo[1,5-b][1,2,4]triazole 	C22H22N8	398.196742	NA	MeJP	NA	NA
+MJ054418	Bisantrene 	C22H22N8	398.196742	NA	MeJP	NA	NA
+MJ054419	Tombozine; O-Benzoyl 	C26H26N2O2	398.199428	NA	MeJP	NA	NA
+PJ000890	SHR 	C15H26N8O5	398.2026	NA	PeJP	NA	NA
+MJ054420	Linarotene 	C23H30N2O2S	398.202798	NA	MeJP	NA	NA
+MJ054421	N-[3-(3,5-Difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-4-yl)propyl]guanidine 	C21H24F2N6	398.203051	NA	MeJP	NA	NA
+MJ054422	Flumedroxone 	C22H29F3O3	398.206879	NA	MeJP	NA	NA
+MJ054423	3(15),6-Caryophylladiene-5,9-diol, 3?,15-Epoxide, 9-benzoyl, 5-Ac 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054424	3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 12-Aldehyde, 3-O-(6S-methyl-2E,4E-octadienoyl) 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054425	4,6-Dihydroxy-7-daucen-9-one, 6-(4-Hydroxycinnamoyl) (E-) 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054426	5-Hydroxy-6-protoilluden-14-al, O-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054427	5-Hydroxy-8,8-dimethyl-6-(2-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054428	5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054429	7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide, Me ether 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054430	7-O-(3,14-Dihydroxy-8(12)-drimen-11-yl)umbelliferone 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054431	Beraprost 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054432	Cauferin 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054433	Claucavatin B 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054434	Clausmarin A 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054435	Condidymic acid 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054436	Deflectin 2a 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054437	Ferchromone; ?8'-Isomer, 7'-hydroxy 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054438	Fercoprenol 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054439	Galbanic acid 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054440	Karatavicinol; 10-Ketone 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054441	Kopeolin; 3'-Ketone 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054442	Ligupersin B 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054443	Microlobin 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054444	Mogoltin 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054445	O-(14(4?5)-Abeo-7-hydroxy-3-oxodriman-11-yl)umbelliferone 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054446	O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-Ketone 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054447	Praealtin A; ?3'4'-Isomer, 6'-de-Ac, 6'-(2-methylbutanoyl) 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054448	Praealtin A; ?3'4'Isomer, 6'-de-Ac, 6'-(3-methylbutanoyl) 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054449	Resibufagin 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054450	Scilliglaucosidin 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054451	Shijiaocaolactone 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054452	Taprostene 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054453	Tortuosidin 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054454	Umbelliprenin; 4',9'-Dihydroxy 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054455	Umbelliprenin; 5',8'-Dihydroxy 	C24H30O5	398.209324	NA	MeJP	NA	NA
+MJ054456	Cytosamine 	C18H30N4O6	398.216534	NA	MeJP	NA	NA
+PJ000891	SPPV 	C18H30N4O6	398.2166	NA	PeJP	NA	NA
+MJ054457	13-Hydroxylupanine; O-(4-Hydroxyphenylacetyl) 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054458	Aspidolimidine; N-De-Ac, N-propanoyl 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054459	Cabuamine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054460	Conopharyngine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054461	Cylindrocarine, N-Ac 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054462	Eburine; N-Methoxycarbonyl 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054463	Gambirine; Me ether 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054464	Geissovelline 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054465	Malagashanine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054466	Mitragynine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054467	Pholcodine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054468	Sarcopharyngine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054469	Strychnofendlerine; 11-Methoxy 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054470	Turcberine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054471	Turconidine 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054472	Vindoline, Deacetoxy 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MJ054473	Voacangine; 3R-Methoxy 	C23H30N2O4	398.220557	NA	MeJP	NA	NA
+MetaCyc03361	deacetoxyvindoline [Desacetoxyvindoline;]	C23H30N2O4	398.220557	NA	metacyc	NA	NA
+C02673	Desacetoxyvindoline	C23H30N2O4	398.2206	NA	KEGG	NA	NA
+C09226	Mitragynine	C23H30N2O4	398.2206	NA	KEGG	NA	NA
+MJ054474	3,11(13)-Eudesmadiene-1,12-diol, 12-O-?-D-Glucopyranoside 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054475	3,8,14,15,16,18-Hexahydroxypregnan-20-one 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054476	4(15),11-Eudesmadiene-1,3-diol, 3-O-?-D-Glucopyranoside 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054477	Alternaric acid; 10-Deoxy, 6R,8,9,19-tetrahydro 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054478	Neorustmicin B 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054479	Phlebiakauranol 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054480	Pregn-5-ene-3,8,11,12,14,17,20-heptol 	C21H34O7	398.230453	NA	MeJP	NA	NA
+MJ054481	Lapirium(1+); Chloride 	C21H35ClN2O3	398.23362	NA	MeJP	NA	NA
+MJ054482	Eponemycin 	C20H34N2O6	398.241686	NA	MeJP	NA	NA
+C14446	Tris(butoxyethyl)phosphate	C18H39O7P	398.2433	NA	KEGG	NA	NA
+C14947	17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate	C25H34O4	398.2457	NA	KEGG	NA	NA
+C15046	Pregna-5,16,20-triene-3beta,20-diol diacetate	C25H34O4	398.2457	NA	KEGG	NA	NA
+MJ054483	1(10),4-Germacradien-6-ol, 4-Hydroxy-3-methoxycinnamoyl 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054484	12-Hydroxy-9(11),16-kauradien-19-oic acid, Angeloyl 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054485	12-Hydroxy-9(11),16-kauradien-19-oic acid, O-(3-Methyl-2-butenoyl) 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054486	3-Hydroxy-9(11),15-kauradien-19-oic acid, Tigloyl 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054487	5,6-Epoxy-5,6,7,8-tetrahydro-3-hydroxy-8-oxo-12'-apo-?,?-carotenal 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054488	5-[13-(3-Furanyl)-2,6,10-trimethyl-2,6,8-tridecatrienyl]-4-hydroxy-3-methyl-2(5H)-furanone 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054489	6(14)-Thapsen-13-ol; 4-Hydroxy-3-methoxycinnamoyl 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054490	Avarol; Di-Ac 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054491	Blazeispirol A 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054492	Crispatene 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054493	Dehydromanoalide 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054494	Elysione 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054495	Fasciculatin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054496	Felixinin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054497	Isofasciculatin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054498	Isopalinurin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054499	Luffarin E; 21-Aldehyde 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054500	Luffarin T; 16,17-Dihydro 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054501	Metynodiol; Di-Ac 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054502	Palinurin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054503	Palominin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054504	Plakortolide 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054505	Strobilinin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054506	Tridachiapyrone A 	C25H34O4	398.245709	NA	MeJP	NA	NA
+MJ054507	Variabilin 	C25H34O4	398.245709	NA	MeJP	NA	NA
+PJ000892	GPLL 	C19H34N4O5	398.2529	NA	PeJP	NA	NA
+MJ054508	Valylvalylargininal; N-Ac 	C18H34N6O4	398.264153	NA	MeJP	NA	NA
+MJ054509	8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Ac 	C22H38O6	398.266838	NA	MeJP	NA	NA
+MJ054510	Ligantrol; 18-Ac 	C22H38O6	398.266838	NA	MeJP	NA	NA
+MJ054511	12-Hydroxy-25-nor-15,17-scalaradien-24-al; 12?-form, Ac 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054512	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Cyclohexanecarboxylate 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054513	17-Hydroxyestr-4-en-3-one; 17?-form, Cyclopentanepropanoyl 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054514	24-Methyl-12-oxo-17-scalaren-25,24-olide 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054515	3-Heptadecadienyl-3,4-dihydro-8-hydroxy-1H-2-benzopyran-1-one 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054516	3-Oxo-24,25,26,27-tetranorcycloartan-23,16-olide 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054517	Pentagestrone 	C26H38O3	398.282095	NA	MeJP	NA	NA
+MJ054518	Strongylophorine 5 	C26H38O3	398.282095	NA	MeJP	NA	NA
+C14603	17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate	C26H38O3	398.2821	NA	KEGG	NA	NA
+MJ054519	Dimorpholamine 	C20H38N4O4	398.289305	NA	MeJP	NA	NA
+MJ054520	Lystatin 	C20H38N4O4	398.289305	NA	MeJP	NA	NA
+MJ054521	Tryptamine; Nb-(7-Methoxy-4-tetradecenoyl)(4E,7S-) 	C25H38N2O2	398.293328	NA	MeJP	NA	NA
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR397	Calcitriol F2	NA	398.314975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR397	Calcitriol F2	NA	398.314975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR397	Calcitriol F2	NA	398.314975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR397	Calcitriol F2	NA	398.314975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR397	Calcitriol F2	F2	398.314975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ054522	21-Norergosta-7,17(20),24(28)-triene-1,3-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054523	21-Norergosta-7,17(20),24(28)-triene-3,19-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054524	21-Norergosta-7,20(22),24(28)-triene-3,19-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054525	25,26,27-Trinor-3-oxocycloartan-24-al 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054526	3-Hydroxy-25,26,27-trinorlanosta-9(11),16-dien-23-one; 3?-form 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054527	3-Hydroxycholesta-5,22-dien-24-one 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054528	3-Hydroxycholesta-5,22-dien-7-one 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054529	3-Hydroxycholesta-5,24-dien-23-one 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054530	3-Hydroxycholesta-5,25-dien-24-one 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054531	3-Hydroxycholesta-8,14-dien-23-one 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054532	8,19-Epoxy-21-norergosta-17(20),24(28)-dien-3-ol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054533	9,10-Secocholesta-5,7,10(19),23-tetraene-3,25-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054534	9,10-Secocholesta-5,7,10(19),24-tetraene-1,3-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054535	Astrogorgiadiol; 24,25-Didehydro 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054536	Astrogorgiadiol; 9-Ketone 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054537	Bourjotone 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054538	Cholest-1-ene-3,22-dione 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054539	Cholest-22-ene-3,6-dione; 22E-form 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054540	Cholest-3-ene-7,11-dione 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054541	Cholest-4-ene-3,24-dione 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054542	Cholesta-7,9(11),22-triene-3,6-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054543	Cholesta-9(11),17(20),24-triene-3,6-diol 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054544	Sarcodictyenone 	C27H42O2	398.31848	NA	MeJP	NA	NA
+MJ054545	Harappamine; N20-De-Me 	C26H42N2O	398.329713	NA	MeJP	NA	NA
+MJ054546	Papilinine 	C26H42N2O	398.329713	NA	MeJP	NA	NA
+MJ054547	Pregna-5,16-diene-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac 	C26H42N2O	398.329713	NA	MeJP	NA	NA
+MJ054548	Tryptamine; Nb-Hexadecanoyl 	C26H42N2O	398.329713	NA	MeJP	NA	NA
+MJ054549	Xestamine A; N1-Me 	C26H43N2O(+)	398.329714	NA	MeJP	NA	NA
+MJ054550	11,13-Dihydroxy-9-tetracosenoic acid 	C24H46O4	398.339609	NA	MeJP	NA	NA
+MJ054551	5-Alkyl-3,5-dimethyl-1,2-dioxolane-3-acetic acids; 5-Heptadecyl-3,5-dimethyl-1,2-dioxolane-3-acetic acid 	C24H46O4	398.339609	NA	MeJP	NA	NA
+MJ054552	Tetracosanedioic acid 	C24H46O4	398.339609	NA	MeJP	NA	NA
+MJ054553	(3-Aminopropyl)(carboxymethyl)dimethylammonium betaine; N-Hexadecanoyl 	C23H46N2O3	398.350843	NA	MeJP	NA	NA
+HMDB01217	4a-Methylzymosterol	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB06847	Episterol	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB06849	24-Methylenecholesterol	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB11181	Brassicasterol	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB11606	4-alpha-Methyl-5-alpha-cholest-7-en-3-one	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB12174	4Alpha-methyl-5alpha-cholesta-8-en-3-one	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB12196	Campest-4-en-3-one	C28H46O	398.354858	NA	HMDB2010	NA	NA
+HMDB01217	4a-Methylzymosterol	C28H46O	398.35486	http://www.hmdb.ca/metabolites/HMDB01217	HMDB	NA	NA
+HMDB06846	24-Methylenelophenol	C28H46O	398.35486	http://www.hmdb.ca/metabolites/HMDB06846	HMDB	NA	NA
+HMDB06847	Episterol	C28H46O	398.35486	http://www.hmdb.ca/metabolites/HMDB06847	HMDB	NA	NA
+HMDB06849	24-Methylenecholesterol	C28H46O	398.35486	http://www.hmdb.ca/metabolites/HMDB06849	HMDB	NA	NA
+HMDB06926	4alpha-Methylzymosterol	C28H46O	398.35486	http://www.hmdb.ca/metabolites/HMDB06926	HMDB	NA	NA
+HMDB01217	4a-Methylzymosterol	C28H46O	398.35486	HMDB01217	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06846	24-Methylenelophenol	C28H46O	398.35486	HMDB06846	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06847	Episterol	C28H46O	398.35486	HMDB06847	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06849	24-Methylenecholesterol	C28H46O	398.35486	HMDB06849	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06926	4alpha-Methylzymosterol	C28H46O	398.35486	HMDB06926	PFEM_hmdb_metabocards_official	NA	NA
+MJ054554	14-Methyl-9,19-cyclocholest-24-en-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054555	14-Methylcholesta-8,24-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054556	19-Norstigmasta-5,22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054557	22-Methylcholesta-5,23-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054558	22-Methylenecholest-5-en-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054559	23,24-Methylenecholesterol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054560	23-Methyl-24,26-cyclocholest-5-en-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054561	23-Methyl-27-norergosta-5,25-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054562	23-Methylcholesta-5,22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054563	24-Methylcholesta-5,22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054564	27-Norergosta-5,22-dien-3-ol, Me ether 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054565	4,23-Dinor-3,4-seco-5(24)-filicen-3-al 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054566	4-Methylcholest-8-en-3-ol, 3-Ketone 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054567	4-Methylcholesta-7,24-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054568	4-Methylcholesta-8,14-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054569	4-Methylcholesta-8,22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054570	4-Methylcholesta-8,24-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054571	6,10,14,18,22-Pentamethyl-5,9,13,17,21-tricosapentaen-2-one 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054572	9,10-Secoergosta-5,7,10(19)-trien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054573	9,10-Secoergosta-5,7,22-trien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054574	Ergost-4-en-3-one 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054575	Ergost-7-en-3-ol, 3-Ketone 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054576	Ergosta-16,20(22)-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054577	Ergosta-17(20),22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054578	Ergosta-5,20-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054579	Ergosta-5,23-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054580	Ergosta-5,24(28)-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054581	Ergosta-5,24-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054582	Ergosta-5,25-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054583	Ergosta-5,7-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054584	Ergosta-7,22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054585	Ergosta-7,23-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054586	Ergosta-7,24(28)-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054587	Ergosta-7,25-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054588	Ergosta-8(14),22-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054589	Ergosta-8,23-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054590	Ergosta-8,24(28)-dien-3-ol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MJ054591	Sormosterol 	C28H46O	398.354866	NA	MeJP	NA	NA
+MetaCyc03362	fecosterol [24-methylene-5&alpha;-cholest-8-en-3&beta;-ol;]	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03363	4-&alpha;-methyl zymosterol [4-methyl-8,24-cholestadienol;4-&alpha;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol;]	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03364	4&alpha;-methyl-5&alpha;-cholest-7-en-3-one []	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03365	episterol []	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03366	24-methylenecholesterol []	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03367	4&alpha;-methyl-cholesta-8,14-dienol []	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03368	brassicasterol []	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03369	24-methyldesmosterol []	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03370	campest-4-en-3-one [methylcholestenone;(24R)-24-methyl-cholest-4-en-3-one;3-dehydro-&Delta;4-5-campesterol;]	C28H46O1	398.354866	NA	metacyc	NA	NA
+MetaCyc03371	campest-5-en-3-one []	C28H46O1	398.354866	NA	metacyc	NA	NA
+C04453	4alpha-Methyl-5alpha-cholest-7-en-3-one	C28H46O	398.3549	NA	KEGG	NA	NA
+C04525	Fecosterol	C28H46O	398.3549	NA	KEGG	NA	NA
+C05103	4alpha-Methylzymosterol	C28H46O	398.3549	NA	KEGG	NA	NA
+C06957	Dihydrotachysterol	C28H46O	398.3549	NA	KEGG	NA	NA
+C08813	Brassicasterol	C28H46O	398.3549	NA	KEGG	NA	NA
+C15777	Episterol	C28H46O	398.3549	NA	KEGG	NA	NA
+C15781	24-Methylenecholesterol	C28H46O	398.3549	NA	KEGG	NA	NA
+C15785	Campest-4-en-3-one	C28H46O	398.3549	NA	KEGG	NA	NA
+C18192	Vitamin D4	C28H46O	398.3549	NA	KEGG	NA	NA
+MJ054592	Buxamine I; 30-Nor, N-tetra-Me 	C27H46N2	398.366099	NA	MeJP	NA	NA
+MJ054593	Buxamine I; N3,N20,N20-Tri-Me 	C27H46N2	398.366099	NA	MeJP	NA	NA
+MJ054594	Buxamine I; N3,N3,N20-Tri-Me 	C27H46N2	398.366099	NA	MeJP	NA	NA
+MJ054595	Buxupapine 	C27H46N2	398.366099	NA	MeJP	NA	NA
+MJ054596	Cycloprotobuxine I; N3,N20,N20-Tri-Me, 6,7-didehydro 	C27H46N2	398.366099	NA	MeJP	NA	NA
+MJ054597	Sarachine 	C27H46N2	398.366099	NA	MeJP	NA	NA
+MJ054598	15-Hydroxypentacosanoic acid 	C25H50O3	398.375995	NA	MeJP	NA	NA
+MJ054599	2-Hydroxy-22-methyltetracosanoic acid 	C25H50O3	398.375995	NA	MeJP	NA	NA
+MJ054600	24-Norlupane 	C29H50	398.391251	NA	MeJP	NA	NA
+MJ054601	30-Norhopane 	C29H50	398.391251	NA	MeJP	NA	NA
+MJ054602	Stigmast-8-ene 	C29H50	398.391251	NA	MeJP	NA	NA
+MJ054603	1,26-Hexacosanediol 	C26H54O2	398.41238	NA	MeJP	NA	NA
+MJ054604	1,7-Hexacosanediol 	C26H54O2	398.41238	NA	MeJP	NA	NA
+MJ054605	Convolutamine A; N-De(2-hydroxypropyl) 	C10H12Br3NO	398.846901	NA	MeJP	NA	NA
+MJ054606	Oxyclozanide 	C13H6Cl5NO3	398.879031	NA	MeJP	NA	NA
+HMDB00793	Monoiodothyronine	C15H14INO4	398.996765	NA	HMDB2010	NA	NA
+HMDB00793	Monoiodothyronine	C15H14INO4	398.99677	http://www.hmdb.ca/metabolites/HMDB00793	HMDB	NA	NA
+HMDB00793	Monoiodothyronine	C15H14INO4	398.99677	HMDB00793	PFEM_hmdb_metabocards_official	NA	NA
+C13400	Bufferin	C9H8O4	399.0233	NA	KEGG	NA	NA
+C13401	Transferred to D01924	C9H8O4	399.0233	NA	KEGG	NA	NA
+C13402	Transferred to D01925	C9H8O4	399.0233	NA	KEGG	NA	NA
+C12768	Timepidium bromide	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12769	Transferred to D01336	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12770	Transferred to D01337	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12771	Transferred to D01338	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12772	Transferred to D01339	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12773	Transferred to D01340	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12774	Transferred to D01341	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12775	Transferred to D01342	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12776	Transferred to D01343	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12777	Transferred to D01344	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12778	Transferred to D01345	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12779	Transferred to D01346	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12780	Transferred to D01347	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12781	Transferred to D01348	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12782	Transferred to D02450	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12783	Transferred to D01349	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12784	Transferred to D01350	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12785	Transferred to D01351	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12786	Transferred to D01352	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12787	Transferred to D01353	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12788	Transferred to D01354	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12789	Transferred to D01355	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12791	Transferred to D01356	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12792	Transferred to D01357	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12793	Transferred to D01358	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12794	Transferred to D01359	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+C12795	Transferred to D01360	C17H22NOS2	399.0326	NA	KEGG	NA	NA
+MJ054607	Timepidium(1+), Bromide 	C17H22BrNOS2	399.032618	NA	MeJP	NA	NA
+MJ054608	Atpenin; Atpenin B 	C15H20Cl3NO5	399.040705	NA	MeJP	NA	NA
+MJ054609	2,2-Dimethyl-1,3-propanediamine(propanedioato)platinum 	C8H16N2O4Pt	399.075781	NA	MeJP	NA	NA
+MJ054610	Nocardicin E 	C19H17N3O7	399.106649	NA	MeJP	NA	NA
+MetaCyc03372	nocardicin E []	C19H17N3O7	399.10665	NA	metacyc	NA	NA
+C01739	Nocardicin E	C19H17N3O7	399.1067	NA	KEGG	NA	NA
+C17354	Nocardicin F	C19H17N3O7	399.1067	NA	KEGG	NA	NA
+PJ000893	CDY 	C16H21N3O7S	399.11	NA	PeJP	NA	NA
+MJ054611	Deacetoxycephalosporin C; N-Ac 	C16H21N3O7S	399.11002	NA	MeJP	NA	NA
+MJ054612	Cylindrospermopsin; 7-Deoxy 	C15H21N5O6S	399.121254	NA	MeJP	NA	NA
+PJ000894	CMF 	C17H25N3O4S2	399.1287	NA	PeJP	NA	NA
+C09593	Narcotoline	C21H21NO7	399.1318	NA	KEGG	NA	NA
+MJ054613	Adlumidiceine 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054614	Berbervirine 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054615	Cassyfiline; N-(Methoxycarbonyl) 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054616	Ceratonicine 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054617	Narcotine, O8-De-Me 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054618	Narlumidine; 8-Alcohol 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054619	Palmanine 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054620	Prepseudopalmanine 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054621	Torulosinine 	C21H21NO7	399.131802	NA	MeJP	NA	NA
+MJ054622	Axamozide 	C21H22ClN3O3	399.134969	NA	MeJP	NA	NA
+C11803	Oxmetidine	C19H21N5O3S	399.1365	NA	KEGG	NA	NA
+MJ054623	Oxmetidine 	C19H21N5O3S	399.13651	NA	MeJP	NA	NA
+PJ000895	DEH 	C15H21N5O8	399.139	NA	PeJP	NA	NA
+MJ054624	Biopterin, 1'-O-D-Glucopyranoside 	C15H21N5O8	399.139012	NA	MeJP	NA	NA
+MJ054625	Biopterin, 2'-O-?-D-Glucopyranoside 	C15H21N5O8	399.139012	NA	MeJP	NA	NA
+C11234	Difloxacin	C21H19F2N3O3	399.1394	NA	KEGG	NA	NA
+MJ054626	Difloxacin 	C21H19F2N3O3	399.139447	NA	MeJP	NA	NA
+MJ054627	9-Hydroxy-6-hydroxymethyl-1-phenazinecarboxylic acid; 9-Me ether, 1'-O-(2-amino-3-hydroxy-3-methylbutanoyl)(S-) 	C20H21N3O6	399.143035	NA	MeJP	NA	NA
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	http://www.hmdb.ca/metabolites/HMDB01185	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	http://www.hmdb.ca/metabolites/HMDB01185	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	http://www.hmdb.ca/metabolites/HMDB01185	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	http://www.hmdb.ca/metabolites/HMDB01185	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	http://www.hmdb.ca/metabolites/HMDB01185	HMDB	NA	NA
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	http://www.hmdb.ca/metabolites/HMDB01185	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	HMDB01185	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01185	S-Adenosylmethionine	C15H23N6O5S	399.14505	NA	HMDB2010	NA	NA
+MJ054628	S-Adenosyl-L-methionine 	C15H23N6O5S	399.145063	NA	MeJP	NA	NA
+MetaCyc03373	S-adenosyl-L-methionine [AdoMet;SAM;2-S-adenosyl-L-methionine;S-adenosyl-methionine;adenosylmethionine;S-adenosylmethionine;]	C15H23N6O5S1	399.145064	29908-03-0	metacyc	NA	NA
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	HMDB	NA	NA
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	Inhouse_PFEM	NA	NA
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR055	Adenosylmethionine	C15H23N6O5S	399.145066	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR055	S-Adenosylmethionine	C15H23N6O5S	399.1451	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR055	S-Adenosylmethionine	C15H23N6O5S	399.1451	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR055	S-Adenosylmethionine	C15H23N6O5S	399.1451	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR055	S-Adenosylmethionine	C15H23N6O5S	399.1451	Wishlist	Inhousejuil11	NA	NA
+MJ054629	Azapride 	C20H22ClN5O2	399.146202	NA	MeJP	NA	NA
+PJ000896	SMY 	C17H25N3O6S	399.1464	NA	PeJP	NA	NA
+MJ054630	[3-[2-(4,5-Diphenyl-2-oxazolyl)ethyl]phenoxy]acetic acid 	C25H21NO4	399.147058	NA	MeJP	NA	NA
+MJ054631	Paraensine 	C24H21N3O3	399.158291	NA	MeJP	NA	NA
+MJ054632	Pipazetate 	C21H25N3O3S	399.161662	NA	MeJP	NA	NA
+MJ054633	1-[6-[[(4-Aminophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-?-D-ribofuranuronamide 	C18H21N7O4	399.165502	NA	MeJP	NA	NA
+MJ054634	?-Lumicolchicine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054635	AK toxin II 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054636	Alkaloid K4; Me ether 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054637	Colchicine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054638	Cordrastine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054639	Demecolcine, N-Formyl 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054640	Epiglaudine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054641	Fagarine I; 12-Methoxy 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054642	Glaudine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054643	Leucoxylonine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054644	Macrantaline; 2'-Aldehyde 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054645	Mecambridine 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054646	Muramine; 13-Oxo 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054647	Oreogenine; Me ether 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054648	Oreonone 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054649	Thalicsimidine, 6a,7-Didehydro, 7-hydroxy 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054650	Thalicsimidine, N-De-Me, N-formyl 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054651	Thalihazine; N-Oxide 	C22H25NO6	399.168187	NA	MeJP	NA	NA
+MJ054652	Papaverberbine; N-Me (?-) 	C22H26NO6(+)	399.168187	NA	MeJP	NA	NA
+C07592	Colchicine	C22H25NO6	399.1682	NA	KEGG	NA	NA
+C16710	N-Formyldemecolcine	C22H25NO6	399.1682	NA	KEGG	NA	NA
+C16711	Vitamin K epoxide	C11H7O3R	399.1682	NA	KEGG	NA	NA
+MJ054653	4-Amino-5-chloro-2-methoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]benzamide 	C22H26ClN3O2	399.171354	NA	MeJP	NA	NA
+8025	synthetic peptide	PHF	399.178	antibacterial	Inhouse_peptide	NA	peptide
+PJ000897	AFY 	C21H25N3O5	399.1794	NA	PeJP	NA	NA
+MJ054654	Bioxalomycin ?1; 10,13-Quinone, N-Me 	C21H25N3O5	399.17942	NA	MeJP	NA	NA
+MJ054655	Thiethylperazine 	C22H29N3S2	399.180289	NA	MeJP	NA	NA
+C07132	Thiethylperazine	C22H29N3S2	399.1803	NA	KEGG	NA	NA
+C07133	Transferred to D00373	C22H29N3S2	399.1803	NA	KEGG	NA	NA
+C07134	Transferred to D00374	C22H29N3S2	399.1803	NA	KEGG	NA	NA
+C07135	Transferred to D00375	C22H29N3S2	399.1803	NA	KEGG	NA	NA
+C07136	Transferred to D00376	C22H29N3S2	399.1803	NA	KEGG	NA	NA
+C07138	Transferred to D00377	C22H29N3S2	399.1803	NA	KEGG	NA	NA
+7996	synthetic peptide	LHM	399.1824	anticancer	Inhouse_peptide	NA	peptide
+MJ054656	Lenapenem 	C18H29N3O5S	399.182791	NA	MeJP	NA	NA
+MJ054657	Ansoxetine 	C26H25NO3	399.183443	NA	MeJP	NA	NA
+MJ054658	6-Ethyl-5-[(ethylthio)carbonyl]-2-phenyl-4-propyl-3-pyridinecarboxylic acid; Propyl ester 	C23H29NO3S	399.186814	NA	MeJP	NA	NA
+MJ054659	Onetine 	C19H29NO8	399.189316	NA	MeJP	NA	NA
+PJ000898	PHF 	C20H25N5O4	399.1907	NA	PeJP	NA	NA
+PJ000899	LMH 	C17H29N5O4S	399.194	NA	PeJP	NA	NA
+3744	NA	VGAPG	399.199	ACE inhibitor	Inhouse_peptide	NA	peptide
+3745	NA	GVAPG	399.199	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ054660	Kreysigine, Me ether 	C23H29NO5	399.204573	NA	MeJP	NA	NA
+MJ054661	Sczukidine; 2-Ac 	C23H29NO5	399.204573	NA	MeJP	NA	NA
+MJ054662	Spirodihydrobenzofuranlactam I; 7'-Oxo 	C23H29NO5	399.204573	NA	MeJP	NA	NA
+MJ054663	Yuzurimine D 	C23H29NO5	399.204573	NA	MeJP	NA	NA
+MJ054664	Thaicanine, N,O-Di-Me 	C23H30NO5(+)	399.204573	NA	MeJP	NA	NA
+C07339	Quinacrine	C23H30ClN3O	399.2077	NA	KEGG	NA	NA
+MJ054665	Quinacrine 	C23H30ClN3O	399.20774	NA	MeJP	NA	NA
+MetaCyc03374	atabrine [quinacrine mustard;mepacrine;chinacrin;atebrin;acrichine;quinacrine;atabrine;]	C23H30N3O1CL1	399.20774	83-89-6	metacyc	NA	NA
+3373	ACE inhibitor from beta-CN	PQR	399.211	celiac toxic	Inhouse_peptide	NA	peptide
+PJ000900	GPVQ 	C17H29N5O6	399.2118	NA	PeJP	NA	NA
+MJ054666	Peradoxime 	C22H29N3O4	399.215806	NA	MeJP	NA	NA
+PJ000901	PQR 	C16H29N7O5	399.223	NA	PeJP	NA	NA
+C11721	Candoxatrilat	C20H33NO7	399.2257	NA	KEGG	NA	NA
+C11722	Transferred to D01070	C20H33NO7	399.2257	NA	KEGG	NA	NA
+MJ054667	Candoxatrilat 	C20H33NO7	399.225702	NA	MeJP	NA	NA
+MJ054668	Ipanguline D3; 2''-Epimer, 7-O-(2-methylbutanoyl), 3''-Ac 	C20H33NO7	399.225702	NA	MeJP	NA	NA
+MJ054669	Ipanguline D3; 7-O-(2-Methylbutanoyl), 3''-Ac 	C20H33NO7	399.225702	NA	MeJP	NA	NA
+MJ054670	Lithosenine; 3'-Deoxy, stereoisomer 	C20H33NO7	399.225702	NA	MeJP	NA	NA
+MJ054671	1-[4,11-Dihydroxy-13-(4-methoxyphenyl)-1-oxo-5,7,9-tridecatrienyl]pyrrolidine 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054672	7,9-Dihydroxy-8,10-dimethyl-2,4-tridecadienoic acid, 9-O-Cinnamoyl(E-), amide 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054673	Aspochalasin C; 18-Ketone 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054674	Aspochalasin F 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054675	Dehydronapelline; 12-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054676	Dehydronapelline; 12-Epimer, O12-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054677	Dehydronapelline; 12-Epimer, O15-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054678	Dehydronapelline; 15-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054679	Delnuttine; O-De-Ac, 7-(2-methylpropanoyl) 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054680	Kirinine B; 11-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054681	Songorine; 1 or 15-O-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054682	Spiradine G; 6-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054683	Spiramine C; 19-Epimer, O15-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+MJ054684	Spiramine C; O15-Ac 	C24H33NO4	399.240958	NA	MeJP	NA	NA
+C08709	Spiramine A	C24H33NO4	399.241	NA	KEGG	NA	NA
+3625	NA	RKP	399.247	ACE inhibitor	Inhouse_peptide	NA	peptide
+3626	NA	KRP	399.247	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ000902	GPVK 	C18H33N5O5	399.2482	NA	PeJP	NA	NA
+MJ054685	Isokalihinol F; 8?-Hydroxy 	C23H33N3O3	399.252191	NA	MeJP	NA	NA
+PJ000903	PKR 	C17H33N7O4	399.2594	NA	PeJP	NA	NA
+MJ054686	3,14-Clerodadiene-13,18-diol, 18-(2-Pyrrolecarbonyl) 	C25H37NO3	399.277344	NA	MeJP	NA	NA
+MJ054687	7-[3-[(2-Hydroxy-3-phenylpropyl)amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid 	C25H37NO3	399.277344	NA	MeJP	NA	NA
+MJ054688	Antibiotic MBP 049-13 	C25H37NO3	399.277344	NA	MeJP	NA	NA
+MJ054689	Epristeride 	C25H37NO3	399.277344	NA	MeJP	NA	NA
+MJ054690	Ophioboramine 	C25H37NO3	399.277344	NA	MeJP	NA	NA
+MJ054691	Smenospongine; N-(2-Methylpropyl) 	C25H37NO3	399.277344	NA	MeJP	NA	NA
+MJ054692	1-[1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one 	C24H37N3O2	399.288577	NA	MeJP	NA	NA
+MJ054693	Benzyldodecylbis(2-hydroxyethyl)ammonium(1+); Chloride 	C23H42ClNO2	399.290407	NA	MeJP	NA	NA
+MJ054694	Buxaminone; 16?-Hydroxy 	C26H41NO2	399.313729	NA	MeJP	NA	NA
+MJ054695	Mycalazoles; Mycalazole 2 	C26H41NO2	399.313729	NA	MeJP	NA	NA
+MJ054696	L-Palmitoylcarnitine 	C23H45NO4	399.334858	NA	MeJP	NA	NA
+MetaCyc03375	palmitoyl-carnitine [palmitylcarnitine;hexadecanoylcarnitine;palmitoyl-carnitine;]	C23H45N1O4	399.334859	1935-18-8	metacyc	NA	NA
+MetaCyc03376	L-Palmitoylcarnitine []	C23H45N1O4	399.334859	18877-64-0	metacyc	NA	NA
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	HMDB	NA	NA
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	HMDB	NA	NA
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.334869	NA	HMDB2010	NA	NA
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	Inhouse_PFEM	NA	NA
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	Inhouse_PFEM	NA	NA
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	Inhousejuil11	NA	NA
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	Inhousejuil11	NA	NA
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER069	Palmitoyl-L- carnitine	NA	399.334869	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER082	Palmitoyl-L- carnitine	24.79	399.334869	NA	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	http://www.hmdb.ca/metabolites/HMDB00222	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	http://www.hmdb.ca/metabolites/HMDB00222	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	http://www.hmdb.ca/metabolites/HMDB00222	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	http://www.hmdb.ca/metabolites/HMDB00222	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	http://www.hmdb.ca/metabolites/HMDB00222	HMDB	NA	NA
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	Short chain acyl carnitines  ;SYN:4-(N-Trimethylamino)butyrate; 4-Butyrobetaine; 4-Trimethylammoniobutanoate; Actinine; Butyrobetaine; Deoxycarnitine; gamma-Butyrobetaine; 4-Trimethylammoniobutanoic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	http://www.hmdb.ca/metabolites/HMDB00222	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00222	L-Palmitoylcarnitine	C23H45NO4	399.33487	HMDB00222	PFEM_hmdb_metabocards_official	NA	NA
+C02990	L-Palmitoylcarnitine	C23H45NO4	399.3349	NA	KEGG	NA	NA
+C15251	3-Aza-A-homocholest-4a-en-4-one	C27H45NO	399.3501	NA	KEGG	NA	NA
+MJ054697	Demissidine; 3-Epimer 	C27H45NO	399.350115	NA	MeJP	NA	NA
+MJ054698	Demissidine; 5-Epimer 	C27H45NO	399.350115	NA	MeJP	NA	NA
+MJ054699	Solacongestidine 	C27H45NO	399.350115	NA	MeJP	NA	NA
+MJ054700	Verazine; 22S,N-Dihydro 	C27H45NO	399.350115	NA	MeJP	NA	NA
+3731	NA	YPFGFLG	399.6885	MH2+	Inhouse_peptide	NA	peptide
+3733	NA	YPFGFIG	399.6885	MH2+	Inhouse_peptide	NA	peptide
+MJ054701	2,2,4,4-Tetrachloro-1-(dichloromethyl)-5-(dichloromethylene)-1,3-cyclopentenediol 	C7H4Cl8O2	399.771951	NA	MeJP	NA	NA
+MJ054702	4,5-Dibromo-9,10-dihydro-2,3,6,7-phenanthrenetetrol 	C14H10Br2O4	399.894584	NA	MeJP	NA	NA
+MJ054703	14,16-Dibromo-7,9,13,15-hexadecatetraen-5-ynoic acid 	C16H18Br2O2	399.967355	NA	MeJP	NA	NA
+MJ054704	Dibromocyclocacoxanthene 	C16H18Br2O2	399.967355	NA	MeJP	NA	NA
+MJ054705	Mafosfamide 	C9H19Cl2N2O5PS2	399.985005	NA	MeJP	NA	NA
+MJ054706	Bis(8-quinolinolato-N1,O8)cadmium 	C18H12CdN2O2	399.992634	NA	MeJP	NA	NA
+MJ054707	2',4,6,6'-Tetrahydroxy-4'-methylbenzophenone-2-carboxylic acid; 3',5'-Dichloro, 6-Me ether, Me ester 	C17H14Cl2O7	400.011658	NA	MeJP	NA	NA
+MJ054708	Lecanoric acid; 3,5-Dichloro, Me ester 	C17H14Cl2O7	400.011658	NA	MeJP	NA	NA
+MJ054709	4,6-Dichloro-3-[(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl]-1H-indole-2-carboxylic acid 	C20H14Cl2N2O3	400.038147	NA	MeJP	NA	NA
+C03853	Bis(glycerophospho)-glycerol	C9H22O13P2	400.0536	NA	KEGG	NA	NA
+MJ054710	Xestoquinol; 16-Sulfate 	C20H16O7S	400.061673	NA	MeJP	NA	NA
+C12382	4-Demethylpremithramycinone	C20H16O9	400.0794	NA	KEGG	NA	NA
+FL5FAANI0006	3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid	C20H16O9	400.07943	116368-96-8	knapsack	NA	NA
+FL5FEGNS0018	3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone	C20H16O9	400.07943	132185-75-2	knapsack	NA	NA
+FL5FGCNS0025	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone;6-(1,3-Benzodioxol-5-yl)-4,7,9-trimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	C20H16O9	400.07943	80370-39-4	knapsack	NA	NA
+MJ054711	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5-Tri-Me, 4',5':6,7-bis(methylene)ether 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054712	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4':6,7-Bis(methylene), 3,5,8-tri-Me ether 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054713	Cercophorin A 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054714	Paeciloquinone B 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054715	Premithramycinone; O-De-Me 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054716	Stictic acid; 1'-Me ether 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054717	Theaflagallin 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054718	Versiconal acetate 	C20H16O9	400.079432	NA	MeJP	NA	NA
+MJ054719	Versiconal hemiacetal acetate 	C20H16O9	400.079432	NA	MeJP	NA	NA
+FL1C1ANN0001	Lophirone D	C24H16O6	400.09468	122127-70-2	knapsack	NA	NA
+FL5FA9NN0001	(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone;(-)-9,10-Dihydro-3,5-dihydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione	C24H16O6	400.09468	151193-59-8	knapsack	NA	NA
+MJ054720	Calomelanol D; 3-Deoxy 	C24H16O6	400.094688	NA	MeJP	NA	NA
+MJ054721	Calomelanol D; 4'-Deoxy 	C24H16O6	400.094688	NA	MeJP	NA	NA
+MJ054722	Sphagnorubin A; 11-Me ether 	C24H16O6	400.094688	NA	MeJP	NA	NA
+MJ054723	5-Mercaptohistidine, 1-Me, disulfide 	C14H20N6O4S2	400.098744	NA	MeJP	NA	NA
+CJneg0591	Chlorogenic acid [(M-H)+(HCOOH)]-	C17H19O11	400.101125	C18rt(min)=5.52 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0591	Chlorogenic acid [(M-H)+(HCOOH)]-	C17H19O11	400.101125	C18rt(min)=5.52 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C03725	S-Acetylphosphopantetheine	C13H25N2O8PS	400.1069	NA	KEGG	NA	NA
+C03726	S-Alkyl-L-cysteine S-oxide	C3H6NO3SR	400.1069	NA	KEGG	NA	NA
+MetaCyc03377	S-acetyl phosphopantetheine [[3-[2-(2-acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy- 2,2-dimethyl-propoxy]phosphonic acid;]	C13H25N2O8P1S1	400.106923	NA	metacyc	NA	NA
+MJ054724	3,3'-Bis(1,1'-dimethyl-2,2'-dioxo-4,4'-dimethoxy-5,5'-dihydroxy-5,5'-dimethoxycarbonyl-3-pyrroline) 	C16H20N2O10	400.111794	NA	MeJP	NA	NA
+MJ054725	Catecholamic acid 	C16H20N2O10	400.111794	NA	MeJP	NA	NA
+C03502	Flavonol 3-O-D-galactoside	C21H20O8	400.1158	NA	KEGG	NA	NA
+C03946	Flavonol 3-O-beta-D-glucoside	C21H20O8	400.1158	NA	KEGG	NA	NA
+C04074	Isoflavone 7-O-beta-D-glucoside	C21H20O8	400.1158	NA	KEGG	NA	NA
+C10553	4'-Demethylpodophyllotoxin	C21H20O8	400.1158	NA	KEGG	NA	NA
+C10729	alpha-Peltatin	C21H20O8	400.1158	NA	KEGG	NA	NA
+C14963	2-[4-(Acetyloxy)phenyl]-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H20O8	400.1158	NA	KEGG	NA	NA
+C15555	Flavonol 3-O-D-glycoside	C21H20O8	400.1158	NA	KEGG	NA	NA
+FL3FAACS0009	Torosaflavone A	C21H20O8	400.11581	124961-70-2	knapsack	NA	NA
+FL4DFANI0001	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-angelate	C21H20O8	400.11581	111514-45-5	knapsack	NA	NA
+FL5FFANS0022	Herbacetin 7,4'-dimethyl ether 8-butyrate	C21H20O8	400.11581	69306-85-0	knapsack	NA	NA
+FL5FGANS0011	Thymusin 6-isobutyrate;5,6,4'-Trihydroxy-7,8-dimethoxy flavone 6-isobutyrate;5-Hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4-oxo-4H-1-benzopyran-6-yl ester 2-methyl-propanoic acid	C21H20O8	400.11581	264608-83-5	knapsack	NA	NA
+FLIE1CNI0003	Mirificoumestan glycol	C21H20O8	400.11581	114865-43-9	knapsack	NA	NA
+FLIFWYNS0003	Stemonacetal	C21H20O8	400.11581	54357-81-2	knapsack	NA	NA
+MJ054726	2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 4''-Hydroxy, 5'-Me ether 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054727	3,4',5,7,8-Pentahydroxyflavanone, 3-(Z-2-Methyl-2-butenoyl), 8-Me ether 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054728	3,4',5,7,8-Pentahydroxyflavone; 4',7-Di-Me ether, 8-O-butanoyl 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054729	3,8,9-Trihydroxy-7-prenylcoumestan; 8-Me ether, 2',3'-dihydro, 2',3'-dihydroxy 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054730	3-(3-Hydroxyphenyl)-1H-2-benzopyran-1-one; O-?-D-Glucopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054731	4',5,6,7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 6-O-(2-methylpropanoyl) 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054732	4',6-Dihydroxyflavone; 4'-Me ether, 6-O-?-L-arabinopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054733	4',7-Dihydroxyflavone; 4'-O-?-L-Rhamnopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054734	4',7-Dihydroxyisoflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054735	4'-Demethylpodophyllotoxin 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054736	5,7-Dihydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054737	5-Hydroxyflavone; O-?-D-Glucopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054738	7-Hydroxyflavone; O-?-D-Glucopyranoside 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054739	?-Peltatin 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054740	Arboreol; 7-Me ether 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054741	Cleomiscosin A; 5'-Methoxy, 1''-deoxy 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054742	Conioselin 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054743	Duborimycin; Aglycone 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054744	Hormothamnione 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054745	Indicolactone; 2',3'-Dihydro, 2',3'-dihydroxy 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054746	Piscerisoflavone A 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054747	Piscerisoflavone B 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054748	Piscerisoflavone C 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054749	Piscerisoflavone D 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054750	Piscerythrol 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054751	Piscidanone; 7,8-Dihydro, 8?-hydroxy 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054752	Podophyllotoxin; 3'-O-De-Me 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054753	Psorospermindiol; 4'-O-Ac 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054754	Stemonal; 6-Et ether 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054755	Torosaflavone A 	C21H20O8	400.115817	NA	MeJP	NA	NA
+MJ054756	?-Peltatin 	C21H20O8	400.115817	NA	MeJP	NA	NA
+FL2F1ANN0002	Lophirone J;(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one	C25H20O5	400.13107	155548-32-6	knapsack	NA	NA
+MJ054757	Interruptin B; 2',3'-Dihydro 	C25H20O5	400.131073	NA	MeJP	NA	NA
+MJ054758	Lophirone I; Di-Me ether 	C25H20O5	400.131073	NA	MeJP	NA	NA
+MJ054759	Ohioensin C; 1,3-Di-Me ether 	C25H20O5	400.131073	NA	MeJP	NA	NA
+MJ054760	Fandofloxacin 	C20H18F2N4O3	400.134696	NA	MeJP	NA	NA
+MJ054761	1-O-Coumaroylglycerol, 3-O-?-D-Glucopyranoside 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054762	1-O-Coumaroylglycerol, 2-O-?-D-Glucopyranoside 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054763	1-O-Coumaroylglycerol, 3-O-?-D-Glucopyranoside 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054764	2-O-Coumaroylglycerol, 1-O-?-D-Glucopyranoside 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054765	Sweroside; 3'-Ac 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054766	Synargentolide D; 5-Ac 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054767	Synargentolide E 	C18H24O10	400.136946	NA	MeJP	NA	NA
+MJ054768	Clopenthixol 	C22H25ClN2OS	400.137611	NA	MeJP	NA	NA
+MJ054769	Repinotan 	C21H24N2O4S	400.145677	NA	MeJP	NA	NA
+C10557	Dihydroanhydropodorhizol	C22H24O7	400.1522	NA	KEGG	NA	NA
+FL1CG9NI0002	Melafolone	C22H24O7	400.1522	129724-42-1	knapsack	NA	NA
+FL1CG9NI0003	Valafolone	C22H24O7	400.1522	129724-41-0	knapsack	NA	NA
+FL2F19GM0001	7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside	C22H24O7	400.1522	115219-89-1	knapsack	NA	NA
+FL2FALNI0015	Kenusanone E	C22H24O7	400.1522	144161-82-0	knapsack	NA	NA
+FL4DCDNI0001	Scariosin	C22H24O7	400.1522	143557-94-2	knapsack	NA	NA
+FL4DCDNI0002	(2R,3R)-3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone	C22H24O7	400.1522	213910-83-9	knapsack	NA	NA
+FL4DCENI0001	Isotirumalin	C22H24O7	400.1522	119736-72-0	knapsack	NA	NA
+FL4DCENI0002	Tirumalin	C22H24O7	400.1522	74514-46-8	knapsack	NA	NA
+FL5FABNI0003	Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H24O7	400.1522	173792-49-9	knapsack	NA	NA
+FLIBHXNI0002	(+)-Echinoisoflavanone	C22H24O7	400.1522	125300-49-4	knapsack	NA	NA
+MJ054770	15,16-Epoxy-10-hydroxy-2,13(16),14-clerodatrien-17,12:18,19-diolide, Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054771	15,16-Epoxy-11-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054772	15,16-Epoxy-3,13(16),14-clerodatriene-17,12:18,19-diolide, 1?-Acetoxy 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054773	15,16-Epoxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 7?-Acetoxy 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054774	15,16-Epoxy-6-hydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054775	2',3',4',5',6'-Pentahydroxychalcone; 2,5-Di-Me ether, 3-(2-methylbutanoyl) 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054776	2',3',4',5',6'-Pentahydroxychalcone; 2,5-Di-Me ether, 3-(3-methylbutanoyl) 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054777	2',3',4',5,7-Pentahydroxy-6-prenylisoflavanone; 2',4'-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054778	2',3,4',5,7-Pentahydroxy-3'-prenylisoflavanone; 2',4'-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054779	2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 4',7-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054780	2',4',5,7-Tetrahydroxy-8-prenylflavanone, 2',4'-Di-Me ether, 2'',3''-epoxide 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054781	2,3-Dihydro-5,7-dimethoxy-3-methyl-2-(3,4-methylenedioxyphenyl)-6-(2-propenyloxy)benzofuran; 5-Methoxy 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054782	3,3',4',5,7-Pentahydroxy-6-prenylflavanone, 3',7-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054783	3,3',4',5,7-Pentahydroxy-6-prenylflavanone, 4',7-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054784	3,3',4',5,7-Pentahydroxy-8-prenylflavanone, 3',7-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054785	3,3',4',5,7-Pentahydroxy-8-prenylflavanone, 4',7-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054786	3,3',4,4',5'-Pentahydroxylignan-9,9'-olide, 3,4-Methylene ether, 3',4',5'-tri-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054787	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4,5-tri-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054788	3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether, 9-Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054789	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3'-Me ether, 9-Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054790	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3'',4'-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054791	3,6:7,8-Diepoxy-13-hydroxy-18-oxo-3,5,11,15-cembratetraen-20,10-olide, Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054792	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(3-Furancarbonyl), 3-Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054793	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-Ac 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054794	5'-(1,1-Dimethyl-2-propenyl)-2',3',4',5,7-pentahydroxyisoflavanone, 2',4'-Di-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054795	7-Hydroxy-6,8-dimethylflavanone, 7-O-?-L-Arabinopyranoside 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054796	Aschantin 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054797	Chrysophyllon IA 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054798	Chrysophyllon IIA 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054799	Chrysophyllon IIIA 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054800	Cluytene C 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054801	Eupomatilone 4; 5''-Demethoxy 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054802	Eupomatilone 6 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054803	Eusiderin M; 9-Aldehyde 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054804	Falconensin A; Bis(dechloro), 4''-O-de-Me 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054805	Furaquinocin G 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054806	Gomisin R 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054807	Grayanic acid; O-De-Me 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054808	Hexademethylpyrimidatin A; Atropisomer, 4,5-methylene, 3,4',5'-tri-Me ether 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054809	Isochiliolide lactone; 8,17-Didehydro, 7?-acetoxy 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054810	Italipyrone 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054811	Kadsulignan K 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054812	Machilin E 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054813	Neokadsuranin; Atropisomer, 5-O-de-Me 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054814	Nodifloridin A 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054815	Oxokadsurane 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054816	Plectranthone J 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054817	Richardianidin 1 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054818	Salvianduline C 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054819	Salvimexicanolide 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054820	Salvisousolide 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054821	Schizanlignaol D 	C22H24O7	400.152203	NA	MeJP	NA	NA
+MJ054822	Tonalenin 	C22H24O7	400.152203	NA	MeJP	NA	NA
+PJ000904	NMH 	C15H24N6O5S	400.1529	NA	PeJP	NA	NA
+MJ054823	Oxopropaline D, 2'-Deoxy, 3'-O-?-L-rhamnopyranoside 	C21H24N2O6	400.163436	NA	MeJP	NA	NA
+MJ054824	Oxyprothepin 	C22H28N2OS2	400.164304	NA	MeJP	NA	NA
+MJ054825	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Chloro-2-hydroxy-2-methylbutanoyl) 	C20H29ClO6	400.165266	NA	MeJP	NA	NA
+3697	NA	YPFGFNG	400.16795	MH2+	Inhouse_peptide	NA	peptide
+PJ000905	GSTH 	C15H24N6O7	400.1707	NA	PeJP	NA	NA
+MJ054826	6,10-Dihydroxy-4,7-megastigmadiene-3,9-dione, 10-O-?-D-Glucopyranoside 	C19H28O9	400.173332	NA	MeJP	NA	NA
+MJ054827	6,11-Dihydroxy-2,8-undecadienoic acid, 1,11-Lactone, 6-O-(6-O-acetyl-?-D-glucopyranoside) 	C19H28O9	400.173332	NA	MeJP	NA	NA
+MJ054828	Sinapyl alcohol, 1-Et ether, 4'-O-?-D-glucopyranoside 	C19H28O9	400.173332	NA	MeJP	NA	NA
+MJ054829	Suspensolide A; Aglycone 	C19H28O9	400.173332	NA	MeJP	NA	NA
+PJ000906	GPPM 	C17H28N4O5S	400.1781	NA	PeJP	NA	NA
+MJ054830	Naloxyindole 	C25H24N2O3	400.178692	NA	MeJP	NA	NA
+MJ054831	2,14-Dihydroxycacalol; 2?-form, 14-(3-Methyl-2-butenoyl), 9-propanoyl 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054832	2,14-Dihydroxycacalol; 2?-form, 14-Angeloyl, 9-propanoyl 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054833	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 2-Ketone 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054834	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',4'-Methylene, 4,5,9,9'-tetra-Me ether 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054835	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 4,5-Methylene, 3',4',9,9'-tetra-Me ether 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054836	3,3',4,4',9-Pentahydroxy-9,9'-epoxylignan, 3',4'-Methylene, 9-Et, 3,4-di-Me ether 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054837	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3-Angeloyl, 6-propanoyl 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054838	3,6-Dihydroxyfuranoeremophilan-9-one, 3,6-Bis(2-methyl-2-propenoyl) 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054839	4-(3,4-Dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol; Ac 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054840	5,6-Dihydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054841	5,9-Dihydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054842	?-Schizandrin 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054843	Bisabosqual A; 13-Hydroxy 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054844	Enprostil 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054845	Gibbestatin A 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054846	Gomisin N 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054847	Hancinone B; Me ether, 5'-methoxy 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054848	Harzianum A 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054849	Kadsuranin 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054850	Kadsurenin I; Ac 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054851	Kadsurenin I; Stereoisomer, Ac 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054852	Moslolignan A 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054853	Piperulin A 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054854	Prednisone; 21-Ac 	C23H28O6	400.188588	NA	MeJP	NA	NA
+MJ054855	Rubschisandrin 	C23H28O6	400.188588	NA	MeJP	NA	NA
+C10555	Deoxygomisin A	C23H28O6	400.1886	NA	KEGG	NA	NA
+C10621	Gomisin L1 methyl ether	C23H28O6	400.1886	NA	KEGG	NA	NA
+C14668	Cortancyl	C23H28O6	400.1886	NA	KEGG	NA	NA
+MJ054856	16-Hydroxy-7-isopimaren-19-oic acid; 16-Sulfate 	C20H32O6S	400.191959	NA	MeJP	NA	NA
+PJ000907	GPVE 	C17H28N4O7	400.1958	NA	PeJP	NA	NA
+MJ054857	Isofloxythepin 	C23H29FN2OS	400.198462	NA	MeJP	NA	NA
+8051	synthetic peptide	PWV	400.199	antioxidative	Inhouse_peptide	NA	peptide
+8188	peptide from buckwheat	VPW	400.199	Dipeptides  ;SYN:Beta-Alanyl-L-histidine; Carnosine; Ignotine; Karnozin; Karnozzn; L-Carnosine; N-(3-Aminopropanoyl)histidine; N-(b-Alanyl)-L-histidine; N-b-alanyl-L-Histidine; N-beta-alanyl-L-Histidine; b-Alanyl-L-histidine; b-Alanylhistidine; beta-Alanylhistidine; SevitinH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+C04318	11-O-Demethyl-17-O-deacetylvindoline	C22H28N2O5	400.1998	NA	KEGG	NA	NA
+MJ054858	20-Hydroxycylindrocarineyl 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054859	Adirubine 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054860	Alstozine; N-Oxide 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054861	Eglandine; 10-Methoxy, N-oxide 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054862	Mycelianamide 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054863	Rauvolcinine 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054864	Reserpic acid 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054865	Rhyncophylline, 7-Epimer, N-oxide 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054866	Rhyncophylline, N-Oxide 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054867	Rotundifoline 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054868	Speciofoline 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054869	Strychnosplendine; 12-Hydroxy, 11-methoxy, N1-Ac 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054870	Tabernoxidine 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054871	Tetraphyllinine 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054872	Venenatine; Nb-Oxide 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054873	Voacristine hydroxyindolenine 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054874	Voaluteine; 10-Demethoxy, 11-methoxy, 19R-hydroxy 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MJ054875	Voaluteine; 19S-Hydroxy 	C22H28N2O5	400.199822	NA	MeJP	NA	NA
+MetaCyc03378	11-O-demethyl-17-O-deacetylvindoline []	C22H28N2O5	400.199822	NA	metacyc	NA	NA
+MJ054876	4-Ethyl-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid; 5-Aldehyde 	C23H24N6O	400.201159	NA	MeJP	NA	NA
+MJ054877	Diabroticin A 	C16H28N6O6	400.207032	NA	MeJP	NA	NA
+PJ000908	PER 	C16H28N6O6	400.2071	NA	PeJP	NA	NA
+MJ054878	2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol 	C20H32O8	400.209718	NA	MeJP	NA	NA
+MJ054879	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(2,3-dihydroxy-2-methylbutanoyl) 	C20H32O8	400.209718	NA	MeJP	NA	NA
+MJ054880	7-Methyl-3-methylene-6-octen-1-ol; O-(2,6-Di-O-acetyl-?-D-glucopyranoside) 	C20H32O8	400.209718	NA	MeJP	NA	NA
+MJ054881	Cinnzeylanol; 19-Hydroxy 	C20H32O8	400.209718	NA	MeJP	NA	NA
+MJ054882	Ryanodol 	C20H32O8	400.209718	NA	MeJP	NA	NA
+PJ000909	PVW 	C21H28N4O4	400.2111	NA	PeJP	NA	NA
+MJ054883	Tiocarlide 	C23H32N2O2S	400.218448	NA	MeJP	NA	NA
+MJ054884	1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxybenzoyl), 6-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054885	1,9-Dihydroxydihydro-?-agarofuran, 9-Benzoyl, 1-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054886	11,14-Dihydroxy-3-oxobufa-20,22-dienolide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054887	11,17-Dihydroxypregna-1,4-diene-3,20-dione, 17-Propanoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054888	14(17)-Vouacapene-6,7-diol, Di-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054889	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054890	14,15:20,21-Diepoxy-3-hydroxybuf-22-enolide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054891	14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide, 2-Methylpropanoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054892	2,4-Dihydroxy-6-pentylbenzoic acid; 4-Me ether, 3-hydroxy-5-pentylphenyl ester 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054893	2,6-Humuladiene-1,4-diol, 4-(4-Hydroxybenzoyl), 1-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054894	22-Deacetylyanuthone A; 15-Ketone, 22-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054895	3,12,14-Trihydroxybufa-4,20,22-trienolide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054896	3,14-Dihydroxy-19-oxobufa-20,22-dienolide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054897	3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 3-O-(6S-Methyl-2E,4E-octadienoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054898	3,8,14-Trihydroxybufa-4,20,22-trienolide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054899	3-(2,4-Dihydroxybenzoyl)-5-(4,8-dimethyl-3,7-nonadienyl)-4,5-dimethyltetrahydro-2-furanone 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054900	3-Hydroperoxy-4(15)-eudesmene-1,6-diol, 6-Cinnamoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054901	3-Hydroperoxy-4-eudesmene-1,6-diol, 6-Cinnamoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054902	4(15)-Eudesmene-1,2,6-triol, 6-Benzoyl, 2-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054903	4,5-Epoxy-1(10)-germacrene-6,8-diol, 1?,10?-Epoxide, 8-cinnamoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054904	4-Hydroperoxy-2-eudesmene-1,6-diol, 6-Cinnamoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054905	7-Hydroperoxy-8-eudesmene-1,4-diol, 4-Cinnamoyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054906	7-Hydroxy-2H-1-benzopyran-2-one; Glycoside 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054907	8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-(2-methylpropenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054908	8,10-Dihydroxy-3-longipinen-5-one, 10-O-(3-Methyl-2-butenoyl), 8-O-(2-methylpropenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054909	8,10-Dihydroxy-3-longipinen-5-one, 10-Tigloyl, 8-O-(2-methylpropenyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054910	8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl, 10-O-(2-methylpropenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054911	8,10-Dihydroxy-3-longipinen-5-one, 8-Tigloyl, 10-O-(2-methylpropenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054912	8,14-Thapsanediol, 8-(4-Hydroxycinnamoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054913	8-Daucene-2,4,6-triol, 6-Benzoyl, 2-Ac 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054914	Antibiotic FR 182877 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054915	Asperugin 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054916	Bufogenin; 20,21-Epoxide 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054917	Furanoeremophilane-3,6-diol, 3-(2-Methylpropenoyl), 6-(3-methyl-2-butenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054918	Furanoeremophilane-3,6-diol, 3-(2-Methylpropenoyl), 6-tigloyl 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054919	Furanoeremophilane-3,6-diol, 3-(3-Methyl-2-butenoyl), 6-(2-methylpropenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054920	Furanoeremophilane-3,6-diol, 3-Angeloyl, 6-(2-methylpropenoyl) 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054921	Hexanorcucurbitacin F; 2,3-Diketone 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054922	Karatavicinol 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054923	Kopeolin 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054924	Lucidone A; 3-Ketone 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054925	Macrolactin A; 15-Ketone 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054926	Mammea C/BB 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054927	Marinobufagin 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054928	Mexrenoic acid; ?-Lactone 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054929	O-(3,8-Dihydroxydriman-11-yl)umbelliferone 	C24H32O5	400.224974	NA	MeJP	NA	NA
+MJ054930	Rietone; 8'-Deoxy 	C24H32O5	400.224974	NA	MeJP	NA	NA
+C02202	Z-Phe-Phe-CHN2	C25H28N4O	400.2263	NA	KEGG	NA	NA
+MJ054931	5-(13-Methyltetradecyl)-1,3-benzenediol; Mono-O-sulfate 	C21H36O5S	400.228344	NA	MeJP	NA	NA
+MJ054932	5-Pentadecyl-1,3-benzenediol; Mono-O-sulfate 	C21H36O5S	400.228344	NA	MeJP	NA	NA
+PJ000910	APTL 	C18H32N4O6	400.2322	NA	PeJP	NA	NA
+MJ054933	Anomaline; O12-Me 	C23H32N2O4	400.236207	NA	MeJP	NA	NA
+MJ054934	Bernzamide 	C23H32N2O4	400.236207	NA	MeJP	NA	NA
+MJ054935	Limaspermine; 11-Methoxy 	C23H32N2O4	400.236207	NA	MeJP	NA	NA
+MJ054936	Nocloprost 	C22H37ClO4	400.238037	NA	MeJP	NA	NA
+MJ054937	1,4-Maalianediol, 1-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054938	3-Eudesmene-1,6-diol, 6-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054939	4(15)-Eudesmene-1,11-diol, 1-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054940	4(15)-Eudesmene-2,11-diol; 2?-form, 11-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054941	4-Cadinene-10,11-diol; 10?-form, 11-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054942	7(11)-Eudesmene-1,4-diol, 1-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054943	7(11)-Eudesmene-1,4-diol, 4-O-?-D-Glucopyranoside 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054944	Feigrisolide C 	C21H36O7	400.246103	NA	MeJP	NA	NA
+MJ054945	Phenazinomycin 	C27H32N2O	400.251463	NA	MeJP	NA	NA
+MJ054946	12-Hydroxy-16-kauren-19-oic acid, 12-Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054947	13-Hydroxy-16-atisen-19-oic acid, Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054948	15,16-Epoxy-12-cleistathen-11-one, 3?-Angelyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054949	15,16-Epoxy-7,13(16),14-clerodatriene-3,18-diol, 18-Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054950	15,16-Epoxy-8(17),13(16),14-labdatriene-3,18-diol, 18-Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054951	15,16-Epoxy-8(17),13(16),14-labdatriene-3,18-diol, 3-Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054952	15-Beyerene-14,19-diol, 19-Carboxylic acid, 14-angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054953	15-Beyerene-14,19-diol, 19-Carboxylic acid, 14-tigloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054954	15-Hydroxy-16-kauren-19-oic acid, 3-Methyl-2-butenoyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054955	15-Hydroxy-16-kauren-19-oic acid, Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054956	15-Hydroxy-16-kauren-19-oic acid, Tigloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054957	15-Hydroxy-16-kauren-19-oic acid, 3-Methyl-2-butenoyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054958	15-Hydroxy-16-kauren-19-oic acid, Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054959	15-Hydroxy-16-kauren-19-oic acid, Tigloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054960	16-Kaurene-3,19-diol, 19-Aldehyde, 16?,17-epoxide, 3-angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054961	16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-(3-methyl-2-butenoyl) 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054962	16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054963	16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-tigloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054964	18-Hydroxy-16-kauren-19-oic acid; ent-form, 3-Methyl-2-butenoyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054965	18-Hydroxy-16-kauren-19-oic acid; ent-form, Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054966	24-Methyl-25-nor-12,24-dioxo-16-scalaren-22-oic acid 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054967	3,14-Dihydroxy-15-beyeren-19-al; 14-Tigloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054968	3-Hydroxy-9(11),15-kauradien-19-oic acid, 3-Methylbutanoyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054969	4-Hydroxy-2-(13-phenyltridecanoyl)-1,3-cyclohexanedione 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054970	5-[13-(3-Furanyl)-2,6,10-trimethyl-3,5-tridecadienyl]-4-hydroxy-3-methyl-2(5H)-furanone 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054971	5-[13-(3-Furanyl)-2,6,10-trimethyl-6,8-tridecadienyl]-4-hydroxy-3-methyl-2(5H)-furanone 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054972	6-Hydroxy-3,13-clerodadien-15,16-olide, Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054973	6-Hydroxy-3,13-clerodadien-15,16-olide, Tigloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054974	7-Hydroxy-16-atisen-19-oic acid, 7-Angeloyl 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054975	8-Hydroxy-5-oxo-3,6,18-ophiobolatrien-24-oic acid 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054976	Aeginetin 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054977	Cacospongionolide 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054978	Colupulone 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054979	Cyclocitrinol 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054980	Cyclolinteinol 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054981	Furospinulosin 1; 20-Carboxylic acid, 14,15-epoxide 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054982	Jaspiferal C; 13E-Isomer, 29-alcohol 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054983	Jaspiferal C; 29-Alcohol 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054984	Litophytolide A; Deacyl, Ac 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054985	Luffariellin A; 5-Deoxy 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054986	Luffariellin B; 5-Deoxy 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054987	Luffarin E 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054988	Luffarin K; 21-Aldehyde 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054989	Luffariolide D; 24-Ketone 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054990	Metachromin F 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054991	Neomanoalide, 24-Aldehyde 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054992	Okinonellin B 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054993	Ophiobolin A 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054994	Ophiobolin H; 21-Oxo 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054995	Ophiobolin I; 25-Hydroxy 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054996	Ophiobolin J 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MJ054997	Pregna-1,20-diene-3,16-diol, Di-Ac 	C25H36O4	400.261359	NA	MeJP	NA	NA
+MetaCyc03379	colupulone []	C25H36O4	400.26136	NA	metacyc	NA	NA
+C09145	Ophiobolin A	C25H36O4	400.2614	NA	KEGG	NA	NA
+C15280	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone	C25H36O4	400.2614	NA	KEGG	NA	NA
+PJ000911	GVLL 	C19H36N4O5	400.2686	NA	PeJP	NA	NA
+PJ000912	LLR 	C18H36N6O4	400.2798	NA	PeJP	NA	NA
+MJ054998	3,8-Dihexyl-4,9-dihydroxy-5,10-dimethyl-1,6-dioxecane-2,7-dione 	C22H40O6	400.282489	NA	MeJP	NA	NA
+MJ054999	Chalmicrin 	C22H40O6	400.282489	NA	MeJP	NA	NA
+C08157	Testosterone enanthate	C26H40O3	400.2977	NA	KEGG	NA	NA
+C15283	17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate	C26H40O3	400.2977	NA	KEGG	NA	NA
+MJ055000	12-Hydroxy-25-nor-16-scalaren-24-al; 12?-form, Ac 	C26H40O3	400.297745	NA	MeJP	NA	NA
+MJ055001	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Heptanoyl 	C26H40O3	400.297745	NA	MeJP	NA	NA
+MJ055002	3-Hydroxy-24,25,26,27-tetranorcycloartan-23,21-olide 	C26H40O3	400.297745	NA	MeJP	NA	NA
+MJ055003	3-Hydroxyandrost-5-en-17-one, 3-Heptanoyl 	C26H40O3	400.297745	NA	MeJP	NA	NA
+MJ055004	4-Oxo-19-phenyl-5-nonadecenoic acid, Me ester 	C26H40O3	400.297745	NA	MeJP	NA	NA
+MJ055005	5,8-Epidioxy-24-norcholesta-6,22-dien-3-ol 	C26H40O3	400.297745	NA	MeJP	NA	NA
+MJ055006	Mesabolone 	C26H40O3	400.297745	NA	MeJP	NA	NA
+HMDB05814	Testosterone enanthate	C26H40O3	400.29776	http://www.hmdb.ca/metabolites/HMDB05814	HMDB	NA	NA
+HMDB05814	Testosterone enanthate	C26H40O3	400.29776	HMDB05814	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05814	Testosterone enanthate	C26H40O3	400.29776	NA	HMDB2010	NA	NA
+MetaCyc03380	1,2-didecanoylglycerol []	C23H44O5	400.318875	NA	metacyc	NA	NA
+C03199	1,2-Didecanoylglycerol	C23H44O5	400.3189	NA	KEGG	NA	NA
+C03200	1,3-beta-D-Oligoglucan	C12H22O10	400.3189	NA	KEGG	NA	NA
+C03201	1-Alkyl-2-acylglycerol	C4H6O4R2	400.3189	NA	KEGG	NA	NA
+EUR002	25-hydroxyvitamin D	C27H44O2	400.3341	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR002	25-hydroxyvitamin D	C27H44O2	400.3341	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR002	25-hydroxyvitamin D	C27H44O2	400.3341	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR002	25-hydroxyvitamin D	C27H44O2	400.3341	Wishlist	Inhousejuil11	NA	NA
+C01561	Calcidiol	C27H44O2	400.3341	NA	KEGG	NA	NA
+C05455	7alpha-Hydroxycholest-4-en-3-one	C27H44O2	400.3341	NA	KEGG	NA	NA
+C15632	24(S),25-Epoxycholesterol	C27H44O2	400.3341	NA	KEGG	NA	NA
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	HMDB	NA	NA
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	Inhouse_PFEM	NA	NA
+MJ055007	1-Phenyl-1,3-heneicosanedione 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055008	2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone; De(methoxycarbonyl) 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055009	20,29,30-Trinor-3,19-lupanediol, 19-Ketone 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055010	24,25-Epoxycholest-5-en-3-ol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055011	24-Hydroxy-25,26,27-trinorcycloartan-3-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055012	25(24?22)-Abeocholesta-5,23-diene-3,22-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055013	25,26,27-Trinordammaran-24,20-olide 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055014	26-Hydroxycholest-5-en-7-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055015	27-Norergosta-7,22-diene-3,6-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055016	3-Hydroxy-25,26,27-trinorcycloartan-24-al 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055017	3-Hydroxycholest-5-en-24-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055018	3-Hydroxycholest-5-en-7-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055019	3-Hydroxycholest-7-en-6-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055020	3-Hydroxycholest-8(14)-en-15-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055021	4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaenoic acid 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055022	9,10-Secocholesta-5,7,10(19)-triene-1,3-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055023	9,10-Secocholesta-5,7,10(19)-triene-3,25-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055024	Cholesta-5,22-diene-3,21-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055025	Cholesta-5,22-diene-3,7-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055026	Cholesta-5,23-diene-3,24-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055027	Cholesta-5,23-diene-3,25-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055028	Cholesta-5,25-diene-3,24-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055029	Cholesta-7,22-diene-3,6-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055030	Cholesta-7,24-diene-3,6-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055031	Cholesta-8(14),22-diene-3,7-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055032	Cholesta-8(14),24-diene-3,6-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055033	Cholesta-8,14-diene-3,6-diol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055034	Cholestane-3,24-dione 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055035	Cholestane-3,6-dione; 5?-form 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055036	Gefarnate 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055037	strogorgiadiol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055038	7alpha-Hydroxycholest-4-en-3-one 	C27H44O2	400.33413	NA	MeJP	NA	NA
+MJ055039	Calcidiol 	C27H44O2	400.33413	NA	MeJP	NA	NA
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR002	25-hydroxyvitamin D	C27H44O2	400.33413	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc03381	calcidiol [25-hydroxyvitamin D3;calcifediol;calcifediol anhydrous;calderol (tn);]	C27H44O2	400.334131	19356-17-3	metacyc	NA	NA
+MetaCyc03382	7&alpha;-hydroxycholest-4-en-3-one []	C27H44O2	400.334131	NA	metacyc	NA	NA
+HMDB00501	7-Ketocholesterol	C27H44O2	400.334137	NA	HMDB2010	NA	NA
+HMDB01993	7a-Hydroxy-cholestene-3-one	C27H44O2	400.334137	NA	HMDB2010	NA	NA
+HMDB03550	Calcidiol	C27H44O2	400.334137	NA	HMDB2010	NA	NA
+HMDB06721	5,6-trans-25-Hydroxyvitamin D3	C27H44O2	400.334137	NA	HMDB2010	NA	NA
+HMDB06722	25-Hydroxytachysterol3	C27H44O2	400.334137	NA	HMDB2010	NA	NA
+HMDB00501	7-Ketocholesterol	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB00501	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01993	7a-Hydroxy-cholestene-3-one	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB01993	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03550	Calcidiol	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB03550	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00501	7-Ketocholesterol	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB00501	HMDB	NA	NA
+HMDB01993	7a-Hydroxy-cholestene-3-one	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB01993	HMDB	NA	NA
+HMDB03550	Calcidiol	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB03550	HMDB	NA	NA
+HMDB06721	5,6-trans-25-Hydroxyvitamin D3	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB06721	HMDB	NA	NA
+HMDB06722	25-Hydroxytachysterol3	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB06722	HMDB	NA	NA
+HMDB00501	7-Ketocholesterol	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB00501	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01993	7a-Hydroxy-cholestene-3-one	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB01993	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03550	Calcidiol	C27H44O2	400.33414	http://www.hmdb.ca/metabolites/HMDB03550	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00501	7-Ketocholesterol	C27H44O2	400.33414	HMDB00501	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01993	7a-Hydroxy-cholestene-3-one	C27H44O2	400.33414	HMDB01993	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03550	Calcidiol	C27H44O2	400.33414	HMDB03550	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06721	5,6-trans-25-Hydroxyvitamin D3	C27H44O2	400.33414	HMDB06721	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06722	25-Hydroxytachysterol3	C27H44O2	400.33414	HMDB06722	PFEM_hmdb_metabocards_official	NA	NA
+MJ055040	Pahutoxin 	C23H46NO4	400.342683	NA	MeJP	NA	NA
+MJ055041	Buxaminol I; N3,N3-Di-Me 	C26H44N2O	400.345364	NA	MeJP	NA	NA
+MJ055042	Cyclobuxine I; N3,N3,N20-Tri-Me 	C26H44N2O	400.345364	NA	MeJP	NA	NA
+MJ055043	Pregn-5-ene-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac 	C26H44N2O	400.345364	NA	MeJP	NA	NA
+MJ055044	Stellettamide A 	C26H45N2O(+)	400.345364	NA	MeJP	NA	NA
+MJ055045	15,16-Dihydroxytetracosanoic acid 	C24H48O4	400.35526	NA	MeJP	NA	NA
+MJ055046	Antibiotic AKD 2; Antibiotic AKD 2D 	C24H48O4	400.35526	NA	MeJP	NA	NA
+C01789	Campesterol	C28H48O	400.3705	NA	KEGG	NA	NA
+C01790	Capreomycin	C19H30N12O6	400.3705	NA	KEGG	NA	NA
+C05110	4alpha-Methylcholesta-8-en-3beta-ol	C28H48O	400.3705	NA	KEGG	NA	NA
+C05111	Methostenol	C28H48O	400.3705	NA	KEGG	NA	NA
+C08825	Lophenol	C28H48O	400.3705	NA	KEGG	NA	NA
+C08826	Gum karaya	C28H48O	400.3705	NA	KEGG	NA	NA
+C08827	Gum tragacanth	C28H48O	400.3705	NA	KEGG	NA	NA
+C08828	Mesquite gum	C28H48O	400.3705	NA	KEGG	NA	NA
+C08833	Pollinastanol	C28H48O	400.3705	NA	KEGG	NA	NA
+C15784	Campest-4-en-3beta-ol	C28H48O	400.3705	NA	KEGG	NA	NA
+C15786	5alpha-Campestan-3-one	C28H48O	400.3705	NA	KEGG	NA	NA
+HMDB02869	Campesterol	C28H48O	400.37051	http://www.hmdb.ca/metabolites/HMDB02869	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02869	Campesterol	C28H48O	400.37051	http://www.hmdb.ca/metabolites/HMDB02869	HMDB	NA	NA
+HMDB02869	Campesterol	C28H48O	400.37051	http://www.hmdb.ca/metabolites/HMDB02869	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02869	Campesterol	C28H48O	400.37051	HMDB02869	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02869	Campesterol	C28H48O	400.370514	NA	HMDB2010	NA	NA
+HMDB11605	4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol	C28H48O	400.370514	NA	HMDB2010	NA	NA
+HMDB12116	(5Alpha)-campestan-3-one	C28H48O	400.370514	NA	HMDB2010	NA	NA
+MJ055047	14-Methylcholest-9(11)-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055048	14-Methylcholestan-3-one 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055049	19-Norstigmast-22-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055050	23-Methyl-19-norergost-22-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055051	24,25-Methylenecholestan-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055052	26,27-Dinorcycloartan-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055053	3-Hydroxymethyl-A-norergost-15-ene 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055054	3-Hydroxymethyl-A-norergost-22-ene 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055055	4-Methyl-8(14)-cholesten-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055056	4-Methylcholest-22-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055057	4-Methylcholest-5-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055058	4-Methylcholest-7-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055059	4-Methylcholest-8-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055060	Ergost-22-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055061	Ergost-24(28)-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055062	Ergost-5-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055063	Ergost-7-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055064	Ergost-8(14)-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055065	Ergost-8-en-3-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055066	Pollinastanol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MJ055067	4alpha-Methylcholesta-8-en-3beta-ol 	C28H48O	400.370516	NA	MeJP	NA	NA
+MetaCyc03383	4&alpha;-methyl-5&alpha;-cholest-7-en-3&beta;-ol []	C28H48O1	400.370516	NA	metacyc	NA	NA
+MetaCyc03384	campest-4-en-3&beta;-ol [methylcholestenol;(24R)-24-methyl-cholest-4-en-3&beta;-ol;]	C28H48O1	400.370516	NA	metacyc	NA	NA
+MetaCyc03385	lophenol []	C28H48O1	400.370516	NA	metacyc	NA	NA
+MetaCyc03386	4&alpha;-methyl-cholesta-8-enol []	C28H48O1	400.370516	NA	metacyc	NA	NA
+MetaCyc03387	(5&alpha;)-campestan-3-one [methylcholestanone;(24R)-24-methyl-5&alpha;-cholestan-3-one;3-dehydro-campestanol;]	C28H48O1	400.370516	NA	metacyc	NA	NA
+MetaCyc03388	campesterol []	C28H48O1	400.370516	NA	metacyc	NA	NA
+MJ055068	Buxocyclamine I; N-Tetra-Me 	C27H48N2	400.381749	NA	MeJP	NA	NA
+MJ055069	Cycloprotobuxine I; N3,N20,N20-Tri-Me 	C27H48N2	400.381749	NA	MeJP	NA	NA
+C10799	Cycloprotobuxine C	C27H48N2	400.3818	NA	KEGG	NA	NA
+MJ055070	Stigmastane 	C29H52	400.406901	NA	MeJP	NA	NA
+3717	NA	YPFGFDG	400.65995	MH2+	Inhouse_peptide	NA	peptide
+3272	NA	VTRGDSPA	400.69245	MH2+	Inhouse_peptide	NA	peptide
+3345	ACE inhibitor	DMIPAQK	400.69615	MH2+	Inhouse_peptide	NA	peptide
+8299	ACE inhibitor	RMLGQTP	400.7017	MH2+	Inhouse_peptide	NA	peptide
+7565	ACE inhibitor	LHLPLPL	400.749	MH2+	Inhouse_peptide	NA	peptide
+MJ055071	Hymenialdisine; 3-Bromo 	C11H9Br2N5O2	400.912299	NA	MeJP	NA	NA
+C14868	S-(1,2-Dichlorovinyl)glutathione	C12H17Cl2N3O6S	401.0215	NA	KEGG	NA	NA
+MJ055072	Bemetizide 	C15H16ClN3O4S2	401.027075	NA	MeJP	NA	NA
+C04187	5-Methyldeoxycytidine diphosphate	C10H17N3O10P2	401.0389	NA	KEGG	NA	NA
+MetaCyc03389	5-methyldeoxycytidine diphosphate []	C10H17N3O10P2	401.038917	NA	metacyc	NA	NA
+MJ055073	Mebiquine 	C10H10BiNO3	401.046451	NA	MeJP	NA	NA
+MJ055074	Triflumidate 	C17H14F3NO5S	401.054477	NA	MeJP	NA	NA
+C10961	Triasulfuron	C14H16ClN5O5S	401.0561	NA	KEGG	NA	NA
+MJ055075	Penflutizide 	C13H18F3N3O4S2	401.069082	NA	MeJP	NA	NA
+MJ055076	[3-[[1-(3,4-Dichlorophenyl)ethyl]amino]-2-hydroxypropyl](phenylmethyl)phosphinic acid 	C18H22Cl2NO3P	401.071435	NA	MeJP	NA	NA
+MJ055077	5-Hexenyl glucosinolate 	C13H23NO9S2	401.081422	NA	MeJP	NA	NA
+MJ055078	1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, 1,15-Didechloro, 3,3,4,4-tetrahydro, N-Ac 	C17H27Cl4NO	401.084675	NA	MeJP	NA	NA
+MJ055079	Antibiotic M 53B2 	C15H19N3O8S	401.089285	NA	MeJP	NA	NA
+MJ055080	Flavopiridol 	C21H20ClNO5	401.103	NA	MeJP	NA	NA
+C07334	Oxacillin	C19H19N3O5S	401.1045	NA	KEGG	NA	NA
+MJ055081	Oxacillin 	C19H19N3O5S	401.104541	NA	MeJP	NA	NA
+MJ055082	10-Fluoro-3-(2-fluorophenyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline-8-carboxylic acid 	C25H17F2NO2	401.122735	NA	MeJP	NA	NA
+MJ055083	Penicillin N; 5'-Epimer, 5'-N-Ac 	C16H23N3O7S	401.12567	NA	MeJP	NA	NA
+MJ055084	Oxyphenisatin; O,O-Di-Ac 	C24H19NO5	401.126322	NA	MeJP	NA	NA
+MJ055085	Rilmakalim 	C21H23NO5S	401.129693	NA	MeJP	NA	NA
+MJ055086	Sudexanox 	C21H23NO5S	401.129693	NA	MeJP	NA	NA
+MJ055087	Alozafone 	C21H21ClFN3O2	401.130632	NA	MeJP	NA	NA
+MJ055088	Dopamine; N-Carboxyacetyl, 3-O-?-D-glucopyranoside 	C17H23NO10	401.132195	NA	MeJP	NA	NA
+MJ055089	Pipamazine 	C21H24ClN3OS	401.13286	NA	MeJP	NA	NA
+PJ000913	DMH 	C15H23N5O6S	401.1369	NA	PeJP	NA	NA
+MJ055090	Phosphophenylalanylarginine 	C15H24N5O6P	401.14642	NA	MeJP	NA	NA
+3786	NA	GYY	401.147	ACE inhibitor	Inhouse_peptide	NA	peptide
+7867	antioxidative peptide from Okara protein	GYY	401.147	antioxidative	Inhouse_peptide	NA	peptide
+7946	Antioxidative peptide	YYG	401.147	ACE inhibitor	Inhouse_peptide	NA	peptide
+7967	Antioxidative peptide	YGY	401.147	antioxidative	Inhouse_peptide	NA	peptide
+MJ055091	Ceratocapnidine 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055092	Clivonine, O-(3-Oxobutanoyl) 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055093	Colchiciline; 2-O-De-Me 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055094	Colchifoline; O2-De-Me 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055095	Isonoyaine 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055096	Margrapine A 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055097	Noyaine 	C21H23NO7	401.147452	NA	MeJP	NA	NA
+MJ055098	Fominoben 	C21H24ClN3O3	401.150619	NA	MeJP	NA	NA
+MJ055099	Ipsapirone 	C19H23N5O3S	401.15216	NA	MeJP	NA	NA
+PJ000914	GPND 	C15H23N5O8	401.1547	NA	PeJP	NA	NA
+MJ055100	Setoperone 	C21H24FN3O2S	401.157325	NA	MeJP	NA	NA
+PJ000915	GYY 	C20H23N3O6	401.1587	NA	PeJP	NA	NA
+MJ055101	5-Methoxy-4-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl chloroacetylcarbamate 	C19H28ClNO6	401.160515	NA	MeJP	NA	NA
+MJ055102	?-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid 	C25H23NO4	401.162708	NA	MeJP	NA	NA
+MJ055103	Na-[3-(1H-Indol-3-yl)propenoyl]tryptophan, Et ester 	C24H23N3O3	401.173941	NA	MeJP	NA	NA
+MJ055104	Moxifloxacin 	C21H24FN3O4	401.175084	NA	MeJP	NA	NA
+C07663	Moxifloxacin	C21H24FN3O4	401.1751	NA	KEGG	NA	NA
+C13776	E-4031	C21H27N3O3S	401.1773	NA	KEGG	NA	NA
+MJ055105	N-[4-[[1-[2-(6-Methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamide 	C21H27N3O3S	401.177312	NA	MeJP	NA	NA
+MJ055106	Sonepiprazole 	C21H27N3O3S	401.177312	NA	MeJP	NA	NA
+MJ055107	Alpinigenine 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055108	Alpinine; N-De-Me 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055109	Kreysigine, N-Oxide 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055110	Macrantaline 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055111	Nisbuterol 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055112	Szovitsinine 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055113	Thalicsimidine, N-Oxide 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+MJ055114	Tirandalydigin 	C22H27NO6	401.183837	NA	MeJP	NA	NA
+PJ000916	GPTQ 	C16H27N5O7	401.1911	NA	PeJP	NA	NA
+MJ055115	Austrodimerine 	C21H27N3O5	401.19507	NA	MeJP	NA	NA
+MJ055116	Bassianin 	C21H27N3O5	401.19507	NA	MeJP	NA	NA
+MJ055117	Bioxalomycin ?1; N-Me 	C21H27N3O5	401.19507	NA	MeJP	NA	NA
+MJ055118	Morocromen 	C21H27N3O5	401.19507	NA	MeJP	NA	NA
+MJ055119	1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone 	C26H27NO3	401.199093	NA	MeJP	NA	NA
+CJneg0592	Octanoylcarnitine [(M-H)+(HCOOH)+(HCOONa)]-	C17H31NNaO8	401.203125	C18rt(min)=7.86 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0592	Octanoylcarnitine [(M-H)+(HCOOH)+(HCOONa)]-	C17H31NNaO8	401.203125	C18rt(min)=7.86 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3983	fragment 264-269 of bovine lactoferrin	EDLIWK	401.20495	MH2+	Inhouse_peptide	NA	peptide
+PJ000917	VHF 	C20H27N5O4	401.2063	NA	PeJP	NA	NA
+MJ055120	Fructigenine A; N-De-Ac 	C25H27N3O2	401.210327	NA	MeJP	NA	NA
+2837	oxitocin	CYIQNCPLG~	401.21045	MH2+	Inhouse_peptide	NA	peptide
+MJ055121	Mafoprazine 	C22H28FN3O3	401.211469	NA	MeJP	NA	NA
+MJ055122	Belactosin B 	C18H31N3O7	401.2162	NA	MeJP	NA	NA
+MJ055123	Antibiotic F 1839A 	C23H31NO5	401.220223	NA	MeJP	NA	NA
+MJ055124	Hetisan-2,11,13,14-tetrol, 2-Propanoyl 	C23H31NO5	401.220223	NA	MeJP	NA	NA
+MJ055125	Nakijiquinone A 	C23H31NO5	401.220223	NA	MeJP	NA	NA
+PJ000918	GPTK 	C17H31N5O6	401.2274	NA	PeJP	NA	NA
+PJ000919	ASPK 	C17H31N5O6	401.2275	NA	PeJP	NA	NA
+MJ055126	Amperozide 	C23H29F2N3O	401.227868	NA	MeJP	NA	NA
+2669	synthetic fr, of human beta-CN (123-129) ACE inhibitor	NLHLPLP	401.22845	MH2+	Inhouse_peptide	NA	peptide
+MJ055127	7-[3-(4-Cyanophenoxy)-2-hydroxypropyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid, tert-Butyl ester 	C22H31N3O4	401.231456	NA	MeJP	NA	NA
+7575	ACE inhibitor from chicken muscle	FQKPKR	401.2335	MH2+	Inhouse_peptide	NA	peptide
+C11292	N-Acetylleucyl-leucyl-methioninal	C19H35N3O4S	401.2348	NA	KEGG	NA	NA
+37	Myosin	FQKPKR	401.235	MH2+	Inhouse_peptide	NA	peptide
+PJ000920	VQR 	C16H31N7O5	401.2387	NA	PeJP	NA	NA
+MJ055128	5-Methylurapidil 	C21H31N5O3	401.242689	NA	MeJP	NA	NA
+MJ055129	8-(2,3,3a,4,5,6-Hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 	C26H31N3O	401.246712	NA	MeJP	NA	NA
+PJ000921	ARR 	C15H31N9O4	401.2499	NA	PeJP	NA	NA
+MJ055130	7-Demethylpiericidin A1 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055131	Ajaconine; 15-Epimer, 15-Ac 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055132	Antibiotic L 755807 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055133	Aspochalasin C 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055134	Daphnigracine; 9,22-Didehydro 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055135	Lepenine; O11-Ac 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055136	Lepenine; O15-Ac 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055137	Lucidusculine 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055138	Napelline; O12-Ac 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055139	Piericidin; Piericidin A1, O5-De-Me 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+MJ055140	Spiramine H; O15-Ac 	C24H35NO4	401.256608	NA	MeJP	NA	NA
+PJ000922	AALK 	C18H35N5O5	401.2638	NA	PeJP	NA	NA
+MJ055141	Tubingensin A 	C28H35NO	401.271864	NA	MeJP	NA	NA
+MJ055142	Tubingensin B 	C28H35NO	401.271864	NA	MeJP	NA	NA
+PJ000923	VKR 	C17H35N7O4	401.2751	NA	PeJP	NA	NA
+MJ055143	Mycestericin A 	C21H39NO6	401.277737	NA	MeJP	NA	NA
+MJ055144	Myriocin 	C21H39NO6	401.277737	NA	MeJP	NA	NA
+MJ055145	Sphingofungin E; 21-Deoxy 	C21H39NO6	401.277737	NA	MeJP	NA	NA
+MJ055146	Myxalamides; Myxalamide B 	C25H39NO3	401.292994	NA	MeJP	NA	NA
+C12159	Myxalamid B	C25H39NO3	401.293	NA	KEGG	NA	NA
+MJ055147	Anisperimus 	C18H39N7O3	401.311438	NA	MeJP	NA	NA
+MJ055148	Cyclomicuranine L 	C26H43NO2	401.329379	NA	MeJP	NA	NA
+MJ055149	Mycalazoles; Mycalazole 2, 18',19'-Dihydro 	C26H43NO2	401.329379	NA	MeJP	NA	NA
+C16893	Stellettamide A	C26H45N2O	401.3532	NA	KEGG	NA	NA
+C15336	3beta,4-Dimethyl-4-aza-5alpha-cholestane	C28H51N	401.4022	NA	KEGG	NA	NA
+2876	opioid fragment of dermorphin	YAFGYPS	401.668	MH2+	Inhouse_peptide	NA	peptide
+MJ055150	1,3,3-Tribromo-1-iodo-1-propene 	C3H2Br3I	401.675131	NA	MeJP	NA	NA
+3691	NA	VTKFYF	401.704	MH2+	Inhouse_peptide	NA	peptide
+8264	f(162-169) of bovine kappa casein	VQVTSTAV	401.7125	MH2+	Inhouse_peptide	NA	peptide
+MJ055151	4-Bromo-5-(dibromomethylene)-3-(1-hydroxybutyl)-2(5H)-furanone 	C9H9Br3O3	401.810182	NA	MeJP	NA	NA
+MJ055152	1,2-Bis(3-bromo-4,5-dihydroxyphenyl)ethane 	C14H12Br2O4	401.910234	NA	MeJP	NA	NA
+MJ055153	Avrainvilleol 	C14H12Br2O4	401.910234	NA	MeJP	NA	NA
+MJ055154	Isookamurallene 	C15H16Br2O3	401.946619	NA	MeJP	NA	NA
+MJ055155	Okamurallene 	C15H16Br2O3	401.946619	NA	MeJP	NA	NA
+CJneg0593	pyrocatechol sulfate isomer [(2M-2H+Na)]-	C12H10NaO10S2	401.969725	C18rt(min)=4.88 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0593	pyrocatechol sulfate isomer [(2M-2H+Na)]-	C12H10NaO10S2	401.969725	C18rt(min)=4.88 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ055156	2,4,5-Trichloro-1,3,6-trihydroxy-8-methylxanthone; Tri-Me ether 	C17H13Cl3O5	401.982856	NA	MeJP	NA	NA
+MJ055157	Caloploicin 	C17H13Cl3O5	401.982856	NA	MeJP	NA	NA
+MJ055158	Diploicin; 4-Dechloro, Me ether 	C17H13Cl3O5	401.982856	NA	MeJP	NA	NA
+MJ055159	14,16-Dibromo-7,13,15-hexadecatrien-5-ynoic acid 	C16H20Br2O2	401.983005	NA	MeJP	NA	NA
+MJ055160	Cacoxanthene; 2?,6-Dibromo, 7-hydroxy 	C16H20Br2O2	401.983005	NA	MeJP	NA	NA
+MJ055161	Cyclocymopol 	C16H20Br2O2	401.983005	NA	MeJP	NA	NA
+C00363	dTDP	C10H16N2O11P2	402.0229	NA	KEGG	NA	NA
+HMDB01274	dTDP	C10H16N2O11P2	402.022919	NA	HMDB2010	NA	NA
+HMDB01274	dTDP	C10H16N2O11P2	402.02292	http://www.hmdb.ca/metabolites/HMDB01274	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01274	dTDP	C10H16N2O11P2	402.02292	http://www.hmdb.ca/metabolites/HMDB01274	HMDB	NA	NA
+HMDB01274	dTDP	C10H16N2O11P2	402.02292	http://www.hmdb.ca/metabolites/HMDB01274	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01274	dTDP	C10H16N2O11P2	402.02292	HMDB01274	PFEM_hmdb_metabocards_official	NA	NA
+MJ055162	dTDP 	C10H16N2O11P2	402.022932	NA	MeJP	NA	NA
+MetaCyc03390	dTDP [TDP;thymidine 5'-(trihydrogen diphosphate) (9CI);deoxy-TDP;thymidine-5'-diphosphate;thymidine-diphosphate;]	C10H16N2O11P2	402.022932	491-97-4	metacyc	NA	NA
+MJ055163	Roflumilast 	C17H14Cl2F2N2O3	402.034954	NA	MeJP	NA	NA
+MJ055164	Tris(3-hydroxy-2-methyl-4H-pyran-4-onato-O3,O4)aluminium 	C18H15AlO9	402.053145	NA	MeJP	NA	NA
+MJ055165	Constictic acid 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055166	Coruleoellagic acid; 7,8-Methylene, 1,2,3,6-tetra-Me ether 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055167	Erimopyrone; 9-Me ester 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055168	Jamesopyrone, 9'-Me ester 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055169	Jamesopyrone, 9-Me ester 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055170	Salazinic acid; 1''-Me ether 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055171	Shoyuflavone A; 5-Hydroxy 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055172	Siphulellic acid 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055173	Stictic acid; 1''-Carboxylic acid 	C19H14O10	402.058696	NA	MeJP	NA	NA
+MJ055174	Triaqua[hydrogencitrato(3-)]iron; Compd. with choline 	C11H24FeNO11	402.069877	NA	MeJP	NA	NA
+MJ055175	Basidifferquinone B; 7-Deoxy 	C23H14O7	402.073952	NA	MeJP	NA	NA
+HMDB01117	4-Phosphopantothenoylcysteine	C12H23N2O9PS	402.08618	http://www.hmdb.ca/metabolites/HMDB01117	HMDB	NA	NA
+HMDB01117	4-Phosphopantothenoylcysteine	C12H23N2O9PS	402.08618	HMDB01117	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01117	4-Phosphopantothenoylcysteine	C12H23N2O9PS	402.086182	NA	HMDB2010	NA	NA
+MJ055176	(R)-4'-Phosphopantothenoyl-L-cysteine 	C12H23N2O9PS	402.086187	NA	MeJP	NA	NA
+MetaCyc03391	R-4'-phosphopantothenoyl-L-cysteine [(R)-4'-phospho-N-pantothenoyl-L-cysteine;4-P-N-pantothenoylcysteine;4'-P-N-pantothenoylcysteine;N-((R)-4-phosphopantothenoyl)-L-cysteine;4'-phosphopantothenoylcysteine;4'-phospho-N-pantothenoylcysteine;(R)-4'-phosphopantothenoyl-L-cysteine;N-[(R)-4'-phosphopantothenoyl]-L-cysteine;]	C12H23N2O9P1S1	402.086188	NA	metacyc	NA	NA
+C04352	(R)-4'-Phosphopantothenoyl-L-cysteine	C12H23N2O9PS	402.0862	NA	KEGG	NA	NA
+MJ055177	Pipoxide chlorohydrin 	C21H19ClO6	402.087016	NA	MeJP	NA	NA
+FL3FAACS0002	Cerarvensin;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one	C20H18O9	402.09508	83162-83-8	knapsack	NA	NA
+FL3FAACS0003	Isomollupentin;6-C-Arabinosylapigenin;6-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C20H18O9	402.09508	38642-54-5	knapsack	NA	NA
+FL3FAACS0004	Mollupentin;Apigenin-8-C-alpha-L-arabinopyranoside;8-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C20H18O9	402.09508	38642-55-6	knapsack	NA	NA
+FL3FAAGS0006	Apigenin 7-xyloside	C20H18O9	402.09508	54595-43-6	knapsack	NA	NA
+FL3FGGNS0010	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone	C20H18O9	402.09508	119153-15-0	knapsack	NA	NA
+FL5FF9NM0006	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate	C20H18O9	402.09508	117259-17-3	knapsack	NA	NA
+FL5FFCNS0029	Gossypetin 3,7,3'-trimethyl ether 8-acetate	C20H18O9	402.09508	83159-16-4	knapsack	NA	NA
+FL5FGCNS0023	5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone;5-Demethylmelibentin;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C20H18O9	402.09508	5071-28-3	knapsack	NA	NA
+FL5FGCNS0029	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one	C20H18O9	402.09508	244260-16-0	knapsack	NA	NA
+MJ055178	1,3,8-Trihydroxy-2-methylanthraquinone; 8-O-?-L-Arabinopyranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055179	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-L-Arabinopyranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055180	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-D-Apiofuranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055181	1,3-Dihydroxyanthraquinone; 3-O-?-D-Glucopyranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055182	2',3,5,5',7,8-Hexahydroxyflavone; 2',5',7-Tri-Me ether, 8-Ac 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055183	2',3,5,5',7,8-Hexahydroxyflavone; 3,7,8-Tri-Me ether, 2'-Ac 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055184	3',4',5,5',6,7,8-Heptahydroxyflavone; 5,5',6,8-Tetra-Me, 3',4'-methylene ether 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055185	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',7,8-Tetra-Me, 4',5'-methylene ether 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055186	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,5,6,8-tetra-Me ether 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055187	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,6,7,8-tetra-Me ether 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055188	3,3',4',5,7,8-Hexahydroxyflavone; 3,3',7-Tri-Me ether, 8-O-Ac 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055189	4',5,7-Trihydroxyflavone; 4'-O-?-L-Arabinopyranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055190	4',5,7-Trihydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055191	4',5,7-Trihydroxyflavone; 7-O-?-L-Arabinopyranoside 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055192	Cerarvensin 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055193	Cleomiscosin A; 5'-Hydroxy 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055194	Griseusin B, 4?-Hydroxy, lactone, O-de-Ac 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055195	Isomollupentin 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055196	Mollupentin 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055197	Protocetraric acid; 1'-Et ether 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055198	Protocetraric acid; Et ester 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055199	Rubianin 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055200	Versiconol; 3'-Ac 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055201	Versiconol; 4'-Ac 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055202	?-Rhodomycinone; 4-Hydroxy, 10-epimer 	C20H18O9	402.095082	NA	MeJP	NA	NA
+MJ055203	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Xylopyranoside 	C20H19O9(+)	402.095082	NA	MeJP	NA	NA
+MetaCyc03392	1-hydroxy-2-(&beta;-D-glucosyloxy)-9,10- anthraquinone []	C20H18O9	402.095082	NA	metacyc	NA	NA
+C04719	1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone	C20H18O9	402.0951	NA	KEGG	NA	NA
+C10349	Frangulin B	C20H18O9	402.0951	NA	KEGG	NA	NA
+MJ055204	N-Phosphomethionine S-sulfoximinylalanylalanine 	C11H23N4O8PS	402.09742	NA	MeJP	NA	NA
+MJ055205	Antibiotic 3822B 	C20H22N2O3S2	402.107183	NA	MeJP	NA	NA
+FL1CAANN0001	8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin	C24H18O6	402.11033	73536-04-6	knapsack	NA	NA
+FL2FA9NN0001	Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione	C24H18O6	402.11033	143228-46-0	knapsack	NA	NA
+FL2FAANN0001	Calomelanol H;3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione	C24H18O6	402.11033	143228-45-9	knapsack	NA	NA
+FL4DA9NN0001	Pinobanksin 3-cinnamate	C24H18O6	402.11033	110065-73-1	knapsack	NA	NA
+MJ055206	3,5,7-Trihydroxyflavanone, 3-O-Cinnamoyl(E-) 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055207	6,6'-Ethylidenebis[5-hydroxy-2-methyl-1,4-naphthoquinone] 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055208	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin; 4''-Hydroxy 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055209	Calomelanol E; 4''-Deoxy 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055210	Calomelanol E; 4'-Deoxy 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055211	Ohioensin C; 5-Hydroxy, 3-Me ether 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055212	Saptomycin A; 16-Deoxy, 14,16-epoxy 	C24H18O6	402.110338	NA	MeJP	NA	NA
+MJ055213	Gardenosidic acid; 10-Aldehyde, Me ester 	C17H22O11	402.116211	NA	MeJP	NA	NA
+MJ055214	Ixoside; 10-Me ester 	C17H22O11	402.116211	NA	MeJP	NA	NA
+MJ055215	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(2-Hydroxy-6-methylbenzoyl) 	C23H18N2O5	402.121571	NA	MeJP	NA	NA
+C12311	Saphenamycin	C23H18N2O5	402.1216	NA	KEGG	NA	NA
+MJ055216	Cyanobacterin B 	C22H23ClO5	402.123401	NA	MeJP	NA	NA
+MJ055217	Flustramide A 	C21H27BrN2O	402.130676	NA	MeJP	NA	NA
+MJ055218	Flustramine E; N8-(3-Methyl-2-butenyl), 2-oxo 	C21H27BrN2O	402.130676	NA	MeJP	NA	NA
+FL1C9AGS0001	4,2'-Dihydroxychalcone 4-glucoside	C21H22O8	402.13146	81793-82-0	knapsack	NA	NA
+FL2F19GS0001	7-Hydroxyflavanone beta-D-glucopyranoside	C21H22O8	402.13146	138166-64-0	knapsack	NA	NA
+FL2FA9GS0003	Pinocembrin 7-O-rhamnoside	C21H22O8	402.13146	-	knapsack	NA	NA
+FL3F98NS0016	5,6,2',3',5',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,5,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O8	402.13146	851383-32-9	knapsack	NA	NA
+FL3F9GNS0002	5,6,8,3',4',5'-Hexamethoxyflavone	C21H22O8	402.13146	135010-79-6	knapsack	NA	NA
+FL3F9LNS0001	5,6,2',3',4',6'-Hexamethoxyflavone;5,6-Dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O8	402.13146	100742-33-4	knapsack	NA	NA
+FL3FEGNS0012	5,6,7,3',4',5'-Hexamethoxyflavone;5,6,7-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O8	402.13146	29043-07-0	knapsack	NA	NA
+FL3FFGNS0006	Bannamurpanisin	C21H22O8	402.13146	80324-51-2	knapsack	NA	NA
+FL3FGCNS0001	Nobiletin	C21H22O8	402.13146	478-01-3	knapsack	NA	NA
+FL4DE8NI0001	Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone	C21H22O8	402.13146	253786-79-7	knapsack	NA	NA
+FL5FALNS0017	3,5,7,2',4',5'-Hexamethoxyflavone	C21H22O8	402.13146	21829-45-8	knapsack	NA	NA
+FL5FDKNS0005	Myricetin hexamethyl ether;3,5,7,3',4',5'-Hexamethoxyflavone;Hexa-O-methylmyricitin;Hexamethylmyricetin;3,5,7-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O8	402.13146	14813-27-5	knapsack	NA	NA
+FL5FECNS0037	Quercetagetin hexamethyl ether;3,5,6,7,3',4'-Hexamethoxyflavone;Hexamethylquercetagetin;Oxyayanin B trimethyl ether;2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one	C21H22O8	402.13146	1251-84-9	knapsack	NA	NA
+FL5FFCNS0025	Gossypetin hexamethyl ether;3,5,7,8,3',4'-Hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O8	402.13146	7741-47-1	knapsack	NA	NA
+FL5FGANS0009	3,5,6,7,8,4'-Hexamethoxyflavone;3,5,6,7,8-Pentamethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C21H22O8	402.13146	34170-18-8	knapsack	NA	NA
+MJ055219	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055220	2',3',4',5,6,6'-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055221	2',3,4',5,5',7-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055222	2',3,5,5',6,7-Hexahydroxy-8-prenylflavanone, 6-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055223	2',4',5,5',6,7-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055224	2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 5'-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055225	2',4,4'-Trihydroxychalcone; 4'-O-?-L-Rhamnopyranoside 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055226	2',4-Dihydroxychalcone; 4-O-?-D-Glucopyranoside 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055227	2,4,7-Phenanthrenetriol; 4-Me ether, 2-O-?-D-glucopyranoside 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055228	3',4',5',6,7,8-Hexahydroxyisoflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055229	3',4',5,5',6,7-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055230	3',4',5,5',7,8-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055231	3',4',5,6,7,8-Hexamethoxyflavone 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055232	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(Methylpropenoyl) 9-Ac 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055233	3,3',4',5,5',7-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055234	3,3',4',5,6,7-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055235	3,3',4',5,6,8-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055236	3,3',4',5,7,8-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055237	3,4',5,6,7,8-Hexahydroxyflavone; Hexa-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055238	3,4',5,7,8-Pentahydroxyflavanone, 3-Pentanoyl, 8-Me ether 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055239	3-(3-Hydroxyphenyl)-1H-2-benzopyran-1-one; 3S,4-Dihydro, O-?-D-glucopyranoside 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055240	5,7-Dihydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055241	5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2-Methylpropenoyl), 8-Ac 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055242	7-Hydroxyflavanone, O-?-D-Glucopyranoside 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055243	Aloin, 1'-Deoxy 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055244	Gorgiacerodiol; 11-Deoxy, 12-ketone, 3?,4?:5?,6?-diepoxide 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055245	Graminone A; 4'-Methoxy 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055246	Isopseudocyphellarin A 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055247	Khellactone, 10-O-(2,3-Epoxy-2-methylbutanoyl), 9-Ac 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055248	Khellactone, 9-O-(2?,3?-Epoxy-2-methylbutanoyl), 10-Ac 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055249	Monoepoxylignanolide; 5'-Methoxy 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055250	Pseudocyphellarin B; 1''-Aldehyde 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055251	Pseudopterogorgia lactone 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055252	Secondifloran, 5-Hydroxy 	C21H22O8	402.131467	NA	MeJP	NA	NA
+MJ055253	Wailupemycin A 	C21H22O8	402.131467	NA	MeJP	NA	NA
+C04007	Flavanone 7-O-beta-D-glucoside	C21H22O8	402.1315	NA	KEGG	NA	NA
+C04008	Fucosyl-asialo-agalacto-fetuin	C21H22O8	402.1315	NA	KEGG	NA	NA
+C04010	Glycoprotein phospho-D-mannose	C6H12O9PR	402.1315	NA	KEGG	NA	NA
+C04013	Multi-methyl-branched acyl-CoA	C22H35N7O17P3SR	402.1315	NA	KEGG	NA	NA
+C09262	(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin	C21H22O8	402.1315	NA	KEGG	NA	NA
+C10112	Nobiletin	C21H22O8	402.1315	NA	KEGG	NA	NA
+C14943	2-(2,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O8	402.1315	NA	KEGG	NA	NA
+C14944	2-(3,5-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O8	402.1315	NA	KEGG	NA	NA
+PJ000924	GSCH 	C14H22N6O6S	402.1322	NA	PeJP	NA	NA
+PJ000925	GPDD 	C15H22N4O9	402.1387	NA	PeJP	NA	NA
+MJ055254	1-Bromo-4,6-eudesmanediol, 4,6-Di-Ac 	C19H31BrO4	402.140572	NA	MeJP	NA	NA
+MJ055255	Thioridazine, S2,S2-Dioxide 	C21H26N2O2S2	402.143569	NA	MeJP	NA	NA
+FLIAAANP0012	Ulexone B	C25H22O5	402.14672	128988-21-6	knapsack	NA	NA
+FLNAA9NP0002	cis-and-trans-Inophyllolide;Inophyllum E	C25H22O5	402.14672	17312-31-1	knapsack	NA	NA
+FLNAA9NP0005	Tomentolide A	C25H22O5	402.14672	22562-07-8	knapsack	NA	NA
+MJ055256	Euchrestafuran 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055257	Inophyllum A; 10-Epimer, 12-ketone 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055258	Inophyllum A; 11-Epimer, 12-ketone 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055259	Inophyllum A; 12-Ketone 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055260	Ohioensin C; 14?-Alcohol, 1,3-di-Me ether 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055261	Ormosidin 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055262	Tomentolide A 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055263	Ulexin B 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055264	Ulexone B 	C25H22O5	402.146723	NA	MeJP	NA	NA
+MJ055265	Phenaline 	C19H28Cl2N2O3	402.147698	NA	MeJP	NA	NA
+MJ055266	2-O-?-D-Xylopyranosyl-D-mannose; ?-Pyranose-form, Benzyl glycoside 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055267	3-Hydroxy-1-(2,4,6-trihydroxyphenyl)-1-butanone, 2',4'-Di-Me ether, 3-O-?-D-alloside 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055268	3-Hydroxy-1-(2,4,6-trihydroxyphenyl)-1-butanone, 2',4'-Di-Me ether, 3-O-?-D-glucopyranoside 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055269	4-O-?-D-Galactopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055270	6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055271	6-O-?-L-Arabinopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055272	Benzyl alcohol; O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055273	Benzyl alcohol; O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055274	Benzyl alcohol; O-[?-D-Xylopyranosyl-(1?6)-D-glucopyranoside] 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055275	Benzyl alcohol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C18H26O10	402.152597	NA	MeJP	NA	NA
+MJ055276	Benzyl alcohol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C18H26O10	402.152597	NA	MeJP	NA	NA
+PJ000926	SPPC 	C16H26N4O6S	402.1573	NA	PeJP	NA	NA
+MJ055277	11,12-Dihydroindolo[2,3-a]carbazole; N-(6-Deoxy-?-D-gulopyranosyl) 	C24H22N2O4	402.157957	NA	MeJP	NA	NA
+MJ055278	11,12-Dihydroindolo[2,3-a]carbazole; N-?-L-Rhamnopyranosyl 	C24H22N2O4	402.157957	NA	MeJP	NA	NA
+MJ055279	?-[2-Cyano-5-(3-pyridinylmethoxy)phenoxy]-2-methylbenzenebutanoic acid 	C24H22N2O4	402.157957	NA	MeJP	NA	NA
+MJ055280	Ascochlorin; 8',9'-Didehydro 	C23H27ClO4	402.159787	NA	MeJP	NA	NA
+MJ055281	Cylindrochlorin 	C23H27ClO4	402.159787	NA	MeJP	NA	NA
+MJ055282	Delmadinone; 17-Ac 	C23H27ClO4	402.159787	NA	MeJP	NA	NA
+MJ055283	Antibiotic FE 399 	C18H30N2O4S2	402.164698	NA	MeJP	NA	NA
+FL1CAFNR0001	Antiarone K	C22H26O7	402.16785	137196-97-5	knapsack	NA	NA
+FLIDHXNI0009	Sphenostylin D;(6aS,11aS)-3,6a-Dihydroxy-8,9-dimethoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan	C22H26O7	402.16785	115610-60-1	knapsack	NA	NA
+MJ055284	1-(3,4-Dimethoxyphenyl)-2-methyl-3-oxobutyl 3,4-dimethoxybenzoate 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055285	13,14-Dihydroxycacalol; 9-Propanoyl, 13,14-di-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055286	15,16-Epoxy-2,7-dihydroxy-3,13(16),14-clerodatrien-18,19-olide, 7-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055287	15,16-Epoxy-3,13(16),14-clerodatrien-20,12-olide-18,19-dioic acid, Di-Me ester 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055288	15,16-Epoxy-6,18,19-trihydroxy-3,13(16),14-clerodatrien-20,12-olide, 18-Aldehyde, 19-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055289	17(15?16):18(4?3)-Bisabeo-3,6,7,12-tetrahydroxy-4(19),8,12,16-abietatetraene-11,14-dione, 3-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055290	2,14-Dihydroxycacalol, 9-O-Propanoyl, 2,14-di-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055291	2,14-Dihydroxycacalol; 2?-form, 9-O-Propanoyl, 2,14-di-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055292	2,3-Dihydro-1-hydroxy-5-methoxy-2-(1-methylethyl)-3-(2,4,5-trimethoxyphenyl)-1H-indene-4,7-dione 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055293	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxy-2-methyl-2Z-butenoyl), 2-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055294	3'-O-Demethyldenudanolide B; 3',4'-Di-Me ether, 5'-methoxy 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055295	3,3',4,4',5'-Pentahydroxylignan-9,9'-olide, 3,3',4',5'-Tetra-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055296	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3',4',5-Tetra-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055297	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3,3',4,4'-Tetra-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055298	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 7'-Ketone, 3,3',4,4'-tetra-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055299	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 9-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055300	3,4-Epoxy-8,9-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Tigloyl, 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055301	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methyl-4-oxo-2E-butenoyl), 3-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055302	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(3-Acetoxy-2-methylenebutanoyl) 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055303	4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055304	4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 9-Angeloyl, 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055305	5,6,7,8-Tetrahydro-5-hydroxy-2-methoxy-6,7-dimethyl-8-(2,4,5-trimethoxyphenyl)-1,4-naphthalenedione 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055306	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-(3-Methyl-2-butenoyl), 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055307	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Angeloyl, 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055308	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 6-Tigloyl, 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055309	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055310	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 9-Angeloyl, 6-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055311	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Angeloyl, 9-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055312	6-Hydroxy-9,9-dimethyl-5-(2-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055313	6-Hydroxy-9,9-dimethyl-5-(3-methyl-1-oxobutyl)-1-propyl-3H,9H-[1,2]-dioxolo[3',4':4,5]furo[2,3-f][1]benzopyran-3-one 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055314	7,12,20-Trihydroxy-11,14-dioxo-8,12-abietadien-19-oic acid; 7?-form, 19?20 Lactone, 7-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055315	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11-Angeloyl, 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055316	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-Angeloyl, 11-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055317	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-Angeloyl, 8-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055318	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 15-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055319	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-Acetoxymethyl-2E-butenoyl) 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055320	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 9-O-(2-Acetoxymethyl-2E-butenoyl) 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055321	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl)(E-) 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055322	8-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2-butenoyl)(E-) 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055323	9-Hydroxylasiolaenolide; 9-Aldehyde, 5'-acetoxy 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055324	Armenin B; 7,8-Diepimer, 5-methoxy 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055325	Binankadsurin A 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055326	Chrysophyllin A 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055327	Clusin 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055328	Divaricatic acid ; 2-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055329	Dunnianin; 7-Ketone 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055330	Eusiderin M 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055331	Falconensin A; 1',2'-Dihydro, bisdechloro, 4''-O-de-Me 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055332	Furaquinocin A 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055333	Gaultherin C 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055334	Glaucocalactone 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055335	Gmelinol 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055336	Gorgiacerodiol; 11-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055337	Gracillisquinone A 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055338	Gracillisquinone B 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055339	Homoarenol 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055340	Imbricaric acid; O-De-Me 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055341	Isogorgiacerodiol; 9-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055342	Macrophyllin 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055343	Magnolin; 3-O-De-Me 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055344	Magnolin; 7'-Epimer, 4'-O-de-Me 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055345	Pitholide A 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055346	Plectrin 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055347	Praderin 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055348	Pseudoanisatin; 4-Benzoyl 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055349	Sphaerophorin; O-De-Me 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055350	Sphenostylin C; 8-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055351	Stenosporic acid; O-De-Me 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055352	Tenellic acid B; 1''-Me ether 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055353	Teumicropin; 6-Ketone, 3-Ac 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055354	Woorenogenin 	C22H26O7	402.167853	NA	MeJP	NA	NA
+MJ055355	7-(5-Deoxyribofuranosyl)-N,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine 	C23H22N4O3	402.16919	NA	MeJP	NA	NA
+MJ055356	Ajmaline; 17-O-Chloroacetyl 	C22H27ClN2O3	402.17102	NA	MeJP	NA	NA
+MJ055357	Schizokinen A 	C16H26N4O8	402.175063	NA	MeJP	NA	NA
+PJ000927	GPTE 	C16H26N4O8	402.1751	NA	PeJP	NA	NA
+MJ055358	3-Bromo-13(16)-labdene-8,14,15-triol 	C20H35BrO3	402.176957	NA	MeJP	NA	NA
+8050	synthetic peptide	PWT	402.178	antioxidative	Inhouse_peptide	NA	peptide
+MJ055359	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(3-Chloro-2-hydroxy-2-methylbutanoyl) 	C20H31ClO6	402.180916	NA	MeJP	NA	NA
+MJ055360	Clocinizine 	C26H27ClN2	402.186276	NA	MeJP	NA	NA
+PJ000928	QQQ 	C15H26N6O7	402.1863	NA	PeJP	NA	NA
+MJ055361	Ethinylestradiol; 3-(2-Propanesulfonate) 	C23H30O4S	402.18648	NA	MeJP	NA	NA
+MJ055362	2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-?-D-Glucopyranoside, Me ester 	C19H30O9	402.188982	NA	MeJP	NA	NA
+MJ055363	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[6-O-Malonyl-?-D-glucopyranoside] 	C19H30O9	402.188982	NA	MeJP	NA	NA
+MJ055364	5,6-Epoxy-2,3-dihydroxy-7-megastigmen-9-one, 3-O-?-D-Glucopyranoside 	C19H30O9	402.188982	NA	MeJP	NA	NA
+MJ055365	6,9,11-Trihydroxy-4,7-megastigmadien-3-one, 11-O-?-D-Glucopyranoside 	C19H30O9	402.188982	NA	MeJP	NA	NA
+MJ055366	9,13-Dihydroxy-4-megastigmen-3-one; 13-Carboxylic acid, 9-O-?-D-glucopyranoside 	C19H30O9	402.188982	NA	MeJP	NA	NA
+MJ055367	Aucubigenin; 6-Butyl ether, 1-O-?-D-glucopyranoside 	C19H30O9	402.188982	NA	MeJP	NA	NA
+MJ055368	Aucubigenin; 6-Epimer, 6-butyl ether,1-O-?-D-glucopyranoside 	C19H30O9	402.188982	NA	MeJP	NA	NA
+PJ000929	PTW 	C20H26N4O5	402.1903	NA	PeJP	NA	NA
+PJ000930	GPVM 	C17H30N4O5S	402.1937	NA	PeJP	NA	NA
+MJ055369	Aurantiamide 	C25H26N2O3	402.194342	NA	MeJP	NA	NA
+PJ000931	NNR 	C14H26N8O6	402.1975	NA	PeJP	NA	NA
+PJ000932	GGNR 	C14H26N8O6	402.1976	NA	PeJP	NA	NA
+C08173	Cortisone acetate	C23H30O6	402.2042	NA	KEGG	NA	NA
+C08180	Prednisolone acetate	C23H30O6	402.2042	NA	KEGG	NA	NA
+C08181	Transferred to D00981	C23H30O6	402.2042	NA	KEGG	NA	NA
+C16766	Citreoviridin	C23H30O6	402.2042	NA	KEGG	NA	NA
+MJ055370	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2-Me ether, 8-angeloyl, 4-Ac 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055371	11,12-Epoxy-7-drimene-6,9,11-triol, 11-Ketone (lactone), 6-O-(2E,4E,6E-octatrienoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055372	11,12-Epoxy-7-drimene-6,9,11-triol, 11-Ketone (lactone), 6-O-(2Z,4E,6E-octatrienoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055373	14,15-Epoxy-3,10,16-trihydroxy-19-norbufa-20,22-dienolide 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055374	15,16-Epoxy-20-hydroxy-12-oxo-8(17),13(16),14-labdatrien-19-oic acid; 20-Ac, Me ester 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055375	15,16-Epoxy-7-hydroxy-2-oxo-3,13(16),14-clerodatrien-20-oic acid, 7-Ac, Me ester 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055376	17,21-Dihydroxypregn-4-ene-3,11,20-trione, 21-Ac 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055377	2,14-Dihydroxycacalol; 2?-form, 14-(2-Methylbutanoyl), 9-propanoyl 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055378	2,14-Dihydroxycacalol; 2?-form, 14-(3-Methylbutanoyl), 9-propanoyl 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055379	2,3',4',5,5'-Pentahydroxy-7,7'-epoxylignan, Penta-Me ether 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055380	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055381	2,3,14-Trihydroxy-19-oxocarda-5,20(22)-dienolide 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055382	2,3,14-Trihydroxy-19-oxocarda-7,20(22)-dienolide 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055383	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)propane; Penta-Me ether 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055384	3,14-Dihydroxy-11,12-dioxocard-20(22)-enolide 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055385	3,3',4,4',5-Pentahydroxy-7,7'-epoxylignan, Penta-Me ether 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055386	3,5,14,19-Tetrahydroxycarda-16,20(22)-dienolide, 19-Aldehyde 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055387	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-(2-methylpropanoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055388	4,6-Dihydroxy-7-daucen-9-one, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055389	4,6-Dihydroxy-8-daucen-10-one, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055390	6-Methoxymarmin; 6',7'-O-Isopropylidene 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055391	6-Protoilludene-5,8,14-triol, 5-O-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055392	7,14-Dihydroxy-11,16-dioxo-8-apianen-20,6-olide, 7-Et ether 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055393	7-Protoilludene-5,12,14-triol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055394	7-Protoilludene-5,6,14-triol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055395	Acalycixeniolide E 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055396	Antibiotic K76 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055397	Aurein 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055398	Citreoviridin 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055399	Cochleamycin A; O-De-Ac, 10-O-(2-methylpropanoyl) 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055400	Deoxyschizandrin; O3-De-Me 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055401	Deoxyschizandrin; O5-De-Me 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055402	Fenprostalene 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055403	Gomisin K1 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055404	Isoapetalic acid; Diastereoisomer, Me ester 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055405	Prednisolone; 21-Ac 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055406	Sequoiatone A 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055407	Stachybotrydial; 7?-Hydroxy 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055408	Verrucosidin; 3-Demethyl 	C23H30O6	402.204238	NA	MeJP	NA	NA
+MJ055409	Virolongin A 	C23H30O6	402.204238	NA	MeJP	NA	NA
+PJ000933	PMR 	C16H30N6O4S	402.2049	NA	PeJP	NA	NA
+PJ000934	AALE 	C17H30N4O7	402.2115	NA	PeJP	NA	NA
+MJ055410	6-Bromo-5,9-heneicosadienoic acid 	C21H39BrO2	402.213343	NA	MeJP	NA	NA
+8319	Dvl protein binding	VWV	402.215	Short chain acyl carnitines  ;SYN:Isovaleryl L-carnitine; IsovalerylcarnitineH2Blood	Inhouse_peptide	NA	peptide
+MJ055411	Trandolaprilat 	C22H30N2O5	402.215472	NA	MeJP	NA	NA
+MJ055412	Antibiotic FR 112123 	C16H30N6O6	402.222682	NA	MeJP	NA	NA
+MJ055413	Threonylthreonylargininal; N-Ac 	C16H30N6O6	402.222682	NA	MeJP	NA	NA
+PJ000935	VER 	C16H30N6O6	402.2227	NA	PeJP	NA	NA
+MJ055414	Spiroxasone 	C24H34O3S	402.222865	NA	MeJP	NA	NA
+PJ000936	VVW 	C21H30N4O4	402.2267	NA	PeJP	NA	NA
+MJ055415	Cinitapride 	C21H30N4O4	402.226705	NA	MeJP	NA	NA
+MJ055416	Smenospongine; N-(Carboxymethyl) 	C23H32NO5	402.228048	NA	MeJP	NA	NA
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR498	8(9)-EET F5	NA	402.238125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR498	8(9)-EET F5	NA	402.238125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR498	8(9)-EET F5	NA	402.238125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR498	8(9)-EET F5	NA	402.238125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR498	8(9)-EET F5	F5	402.238125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C13154	Dehydrocholic acid	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13155	Transferred to D01694	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13156	Lentinan	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13157	Transferred to D01696	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13158	Transferred to D01697	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13159	Transferred to D01698	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13160	Transferred to D01699	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13161	Transferred to D01700	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13162	Transferred to D01701	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13163	Transferred to D01702	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13164	Transferred to D01703	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13165	Transferred to D01704	C24H34O5	402.2406	NA	KEGG	NA	NA
+C13166	Transferred to D01705	C24H34O5	402.2406	NA	KEGG	NA	NA
+C16962	Gamabufogenin	C24H34O5	402.2406	NA	KEGG	NA	NA
+C17072	Telocinobufagin	C24H34O5	402.2406	NA	KEGG	NA	NA
+MJ055417	1,4,6,15-Eudesmanetetrol, 15-Cinnamoyl (E-) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055418	1-(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)-2-methyl-1-butanone; 4-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055419	12-(Acetyloxy)-10-[(acetyloxy)methylene]-6-methyl-2-(4-methyl-3-pentenyl)-2,6,11-dodecatrienal 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055420	13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(2-Methylpropanoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055421	14(17)-Vouacapene-6,7-diol, 4?,17-Dihydro, di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055422	15,16-Epoxy-3,13(16),14-clerodatriene-6,7-diol, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055423	15,16-Epoxy-6-hydroxy-7,13(16),14-labdatrien-17-oic acid; 6?-form, 6-(2-Methylpropanoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055424	15,16-Epoxy-8(17),13(16),14-labdatriene-7,18-diol, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055425	17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-11,18-diol, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055426	18-Hydroxy-3,13(16),14-clerodatrien-2-one; 19-Hydroxy, di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055427	22-Deacetylyanuthone A; 15-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055428	22-Deacetylyanuthone A; 22-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055429	3,11,14-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055430	3,14,15-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055431	3,14,16-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055432	3,14,19-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055433	3,4,14-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055434	3,5,14-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055435	3,6-Vouacapanediol, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055436	3,7,14-Trihydroxybufa-20,22-dienolide 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055437	5,12-Dihydroxy-4,10-seco-2,13(15),17-spatatrien-10-one, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055438	5,13-Dihydroxy-4(20),11-taxadien-10-one, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055439	6,7-Epoxy-8(14),15-isopimaradiene-1,11-diol, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055440	7,8-Epoxy-3,12(18),13-dolabellatriene-19,20-diol, Di-Ac 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055441	8-Daucene-4,6-diol, 6-(3,4-Dimethoxybenzoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055442	8-Daucene-5,7-diol, 7-(3,4-Dimethoxybenzoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055443	9,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 9-(2-methylpropanoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055444	Dehydrocholic acid 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055445	Eptaloprost 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055446	Fukurinal 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055447	Furanoeremophilane-3,6-diol, 3-(2-Methyl-2-propenoyl), 6-(3-methylbutanoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055448	Furanoeremophilane-3,6-diol, 3-(3-Methylbutanoyl), 6-(2-methyl-2-propenoyl) 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055449	Hexanorcucurbitacin F; 3-Ketone 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055450	Lucidone A 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055451	Macrolactin A 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055452	Metachromin D 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055453	Polyfibrospongol A; 14-Hydroxy 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055454	Udoteal 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055455	Xeniculin; 8-Deacetoxy, 13,14-deepoxy 	C24H34O5	402.240624	NA	MeJP	NA	NA
+MJ055456	Merodesmosine 	C18H34N4O6	402.247834	NA	MeJP	NA	NA
+PJ000937	GTLL 	C18H34N4O6	402.2479	NA	PeJP	NA	NA
+MJ055457	Magnolol; Bornyl ether 	C28H34O2	402.25588	NA	MeJP	NA	NA
+MJ055458	Piperitylmagnolol 	C28H34O2	402.25588	NA	MeJP	NA	NA
+PJ000938	QKK 	C17H34N6O5	402.2591	NA	PeJP	NA	NA
+MJ055459	4,11-Eudesmanediol, 11-O-?-D-Glucopyranoside 	C21H38O7	402.261753	NA	MeJP	NA	NA
+MJ055460	4,11-Eudesmanediol, 4-O-?-D-Glucopyranoside 	C21H38O7	402.261753	NA	MeJP	NA	NA
+MJ055461	Erythronolide A; 12-Deoxy 	C21H38O7	402.261753	NA	MeJP	NA	NA
+MJ055462	Norcaperatic acid; 1-Me ester 	C21H38O7	402.261753	NA	MeJP	NA	NA
+MJ055463	Erythronolide B 	C21H38O7	402.261753	NA	MeJP	NA	NA
+C06635	Erythronolide B	C21H38O7	402.2618	NA	KEGG	NA	NA
+MJ055464	Bis(3-oxoundecyl) disulfide 	C22H42O2S2	402.262621	NA	MeJP	NA	NA
+MJ055465	Buxpapine 	C27H34N2O	402.267113	NA	MeJP	NA	NA
+MJ055466	Broussonetine I 	C20H38N2O6	402.272986	NA	MeJP	NA	NA
+HMDB00541	7b-Hydroxy-3-oxo-5b-cholanoic acid	C25H38O4	402.277008	NA	HMDB2010	NA	NA
+HMDB11557	MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C25H38O4	402.277008	NA	HMDB2010	NA	NA
+HMDB11587	MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)	C25H38O4	402.277008	NA	HMDB2010	NA	NA
+MJ055467	12,16-Dihydroxy-17-scalaren-25,24-olide 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055468	12,19-Dihydroxy-17-scalaren-25,24-olide; 12?-form 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055469	12,20-Dihydroxy-17-scalaren-25,24-olide; 12?-form 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055470	12,25-Dihydroxy-16-scalaren-24,25-olide 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055471	12-Hydroxy-16-kauren-19-oic acid, 12-(3-Methylbutanoyl) 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055472	13,16-Epoxy-25-hydroxy-17-cheilanthen-19,25-olide 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055473	13-Hydroxy-16-atisen-19-oic acid, 3-Methylbutanoyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055474	15,16-Epoxy-7,13(16),14-clerodatriene-3,18-diol, 18-(2-Methylbutanoyl) 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055475	15,16-Epoxy-7,13(16),14-clerodatriene-3,18-diol, 18-(3-Methylbutanoyl) 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055476	15-Hydroxy-16-kauren-19-oic acid, 2-Methylbutanoyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055477	15-Hydroxy-16-kauren-19-oic acid, 3-Methylbutanoyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055478	16-Kaurene-3,15-diol, 16,17-Epoxide, 15-angeloyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055479	16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-(3-methylbutanoyl) 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055480	16-Kaurene-3,9,15-triol, 15-Angeloyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055481	18-Hydroxy-16-kauren-19-oic acid; ent-form, 3-Methylbutanoyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055482	24,25-Epoxy-16-scalarene-3,12,25-triol, 3-Ketone 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055483	3,12-Dihydroxy-17-scalaren-25,24-olide 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055484	3,12-Dihydroxy-4,4,14-trimethylpregna-7,9(11)-diene-20-carboxylic acid 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055485	3-Hydroxy-4,4,14-trimethylpregna-7,9(11)-diene-20-carboxylic acid, 12?-Hydroxy 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055486	7,13-Labdadiene-2,15-diol, 15-Carboxylic acid, 2-angeloyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055487	7,13-Labdadiene-3,15-diol, 15-Carboxylic acid, 3-tigloyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055488	7-Hydroxy-8-(15-hydroxypentadecyl)-2H-1-benzopyran-2-one; 7-Me ether 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055489	Aglajne 2 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055490	Androst-5-ene-3,17-diol, Dipropanoyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055491	Aplyolide A 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055492	Cladocoran B 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055493	Dehydroluffariellolide diacid 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055494	Durbinal B; Ac 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055495	Dysidiolide 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055496	Fusaproliferin; O-De-Ac 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055497	Luffarin I 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055498	Luffarin K 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055499	Luffariolide B 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055500	Luffariolide D 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055501	Neomanoalide 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055502	Ophiobolin C; 14?-Hydroxy 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055503	Oxprenoic acid 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055504	Palauolol 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055505	Plakortolide; 11,12,15,16-Tetrahydro 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055506	Scalarolbutenolide; 16-Epimer, 16-deacetyl 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055507	Spongiolactone 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055508	Terpestacin 	C25H38O4	402.277009	NA	MeJP	NA	NA
+MJ055509	Vibsanin A 	C25H38O4	402.277009	NA	MeJP	NA	NA
+HMDB00541	7b-Hydroxy-3-oxo-5b-cholanoic acid	C25H38O4	402.27701	http://www.hmdb.ca/metabolites/HMDB00541	HMDB	NA	NA
+HMDB00541	7b-Hydroxy-3-oxo-5b-cholanoic acid	C25H38O4	402.27701	HMDB00541	PFEM_hmdb_metabocards_official	NA	NA
+3752	NA	KKK	402.282	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ000939	KKK 	C18H38N6O4	402.2955	NA	PeJP	NA	NA
+MJ055510	1-Hydroxy-4-eicosen-3-one, 4-Hydroxyphenyl ether 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055511	17-Hydroxyandrostan-3-one, 17-Heptanoyl 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055512	2-Hydroxy-6-nonadecyl-1,4-benzoquinone; 10,11-Didehydro(Z-), Me ether 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055513	2-Methoxy-4-(2-propenyl)phenol; O-Hexadecanoyl 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055514	24,25-Epoxy-24-methyl-16-scalarene-12,25-diol 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055515	24-Norcholesta-7,22-diene-3,5,6-triol 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055516	3-Hydroxy-22,23,24,25,26,27-hexanordammaran-20-one, Ac 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055517	5-(3,13-Eicosadienyl)-2-furanacetic acid 	C26H42O3	402.313395	NA	MeJP	NA	NA
+MJ055518	3,20-Diaminopregn-5-en-15-ol, N20,N20-Di-Me, N3-Ac 	C25H42N2O2	402.324628	NA	MeJP	NA	NA
+MJ055519	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxy-14-methylpentadecanoyl) 	C25H42N2O2	402.324628	NA	MeJP	NA	NA
+MJ055520	3-(2-Pyrrolidinyl)pyridine, N-(3-Hydroxyhexadecanoyl) 	C25H42N2O2	402.324628	NA	MeJP	NA	NA
+MJ055521	Malouphyllinine; 18-Aldehyde 	C25H42N2O2	402.324628	NA	MeJP	NA	NA
+MJ055522	Malouphyllinine; 5,6-Didehydro 	C25H42N2O2	402.324628	NA	MeJP	NA	NA
+MJ055523	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaene 	C30H42	402.328651	NA	MeJP	NA	NA
+C16145	4,4'-Diaponeurosporene	C30H42	402.3287	NA	KEGG	NA	NA
+MJ055524	Cholesterol-5alpha,6beta-epoxide 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055525	Cholesterol-5beta,6beta-epoxide 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055526	20alpha-Hydroxycholesterol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055527	22beta-Hydroxycholesterol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055528	7alpha-Hydroxy-5beta-cholestan-3-one 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055529	7alpha-Hydroxycholesterol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055530	1-Phenyl-1,3-heneicosanedione; 3-Alcohol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055531	2-Methyl-6-phytylhydroquinone 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055532	20,24-Epoxy-25,26,27-trinordammaran-24-ol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055533	20,29,30-Trinor-3,19-lupanediol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055534	3-Hydroxycholestan-6-one 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055535	?-Tocopherol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055536	Cholest-14-ene-3,16-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055537	Cholest-4-ene-3,6-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055538	Cholest-5-ene-3,22-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055539	Cholest-5-ene-3,24-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055540	Cholest-5-ene-3,7-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055541	Cholest-7-ene-3,6-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055542	Cholest-8-ene-3,6-diol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MJ055543	?-Tocopherol 	C27H46O2	402.34978	NA	MeJP	NA	NA
+MetaCyc03393	2-methyl-6-phytyl-1,4-benzoquinone []	C27H46O2	402.349781	NA	metacyc	NA	NA
+MetaCyc03394	&delta;-tocopherol []	C27H46O2	402.349781	NA	metacyc	NA	NA
+MetaCyc03395	22&alpha;-hydroxy-cholesterol [22-OH-cholesterol;22-OH-CHR;]	C27H46O2	402.349781	NA	metacyc	NA	NA
+MetaCyc03396	27-hydroxycholesterol []	C27H46O2	402.349781	NA	metacyc	NA	NA
+MetaCyc03397	20&alpha;-hydroxy-cholesterol []	C27H46O2	402.349781	NA	metacyc	NA	NA
+MetaCyc03398	7&alpha;-hydroxycholesterol [cholest-5-ene-3&beta;,7&alpha;-diol;]	C27H46O2	402.349781	NA	metacyc	NA	NA
+HMDB01419	24-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB01419	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01496	7a-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB01496	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02103	27-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB02103	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02902	Delta-Tocopherol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB02902	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06119	7b-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB06119	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01419	24-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB01419	HMDB	NA	NA
+HMDB01496	7a-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB01496	HMDB	NA	NA
+HMDB02103	27-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB02103	HMDB	NA	NA
+HMDB02902	Delta-Tocopherol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB02902	HMDB	NA	NA
+HMDB04035	22beta-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB04035	HMDB	NA	NA
+HMDB06119	7b-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB06119	HMDB	NA	NA
+HMDB06247	25-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB06247	HMDB	NA	NA
+HMDB06283	20alpha-hydroxy cholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB06283	HMDB	NA	NA
+HMDB06892	7alpha-Hydroxy-5beta-cholestan-3-one	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB06892	HMDB	NA	NA
+HMDB01419	24-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB01419	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01496	7a-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB01496	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02103	27-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB02103	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02902	Delta-Tocopherol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB02902	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06119	7b-Hydroxycholesterol	C27H46O2	402.34979	http://www.hmdb.ca/metabolites/HMDB06119	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01419	24-Hydroxycholesterol	C27H46O2	402.34979	HMDB01419	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01496	7a-Hydroxycholesterol	C27H46O2	402.34979	HMDB01496	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02103	27-Hydroxycholesterol	C27H46O2	402.34979	HMDB02103	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02902	Delta-Tocopherol	C27H46O2	402.34979	HMDB02902	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04035	22beta-Hydroxycholesterol	C27H46O2	402.34979	HMDB04035	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06119	7b-Hydroxycholesterol	C27H46O2	402.34979	HMDB06119	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06247	25-Hydroxycholesterol	C27H46O2	402.34979	HMDB06247	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06283	20alpha-hydroxy cholesterol	C27H46O2	402.34979	HMDB06283	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06892	7alpha-Hydroxy-5beta-cholestan-3-one	C27H46O2	402.34979	HMDB06892	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01419	24-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB01496	7a-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB02103	27-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB02902	Delta-Tocopherol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB04035	22b-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB06119	7b-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB06247	25-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB06283	20alpha-Hydroxycholesterol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB06892	7a-Hydroxy-5b-cholestan-3-one	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+HMDB11643	(24R)-Cholest-5-ene-3-beta,24-diol	C27H46O2	402.349792	NA	HMDB2010	NA	NA
+C03594	7alpha-Hydroxycholesterol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C05418	Cholesterol-5beta,6beta-epoxide	C27H46O2	402.3498	NA	KEGG	NA	NA
+C05451	7alpha-Hydroxy-5beta-cholestan-3-one	C27H46O2	402.3498	NA	KEGG	NA	NA
+C05500	20alpha-Hydroxycholesterol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C05502	22beta-Hydroxycholesterol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C13550	24-Hydroxycholesterol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C13551	Transferred to D02047	C27H46O2	402.3498	NA	KEGG	NA	NA
+C13552	Transferred to D02048	C27H46O2	402.3498	NA	KEGG	NA	NA
+C13553	Colistin sodium methanesulfonate	C49H88N16O27S5R	402.3498	NA	KEGG	NA	NA
+C14151	delta-Tocopherol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C15519	Cholest-5-ene-3beta,25-diol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C15610	Cholest-5-ene-3beta,26-diol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C15882	2-Methyl-6-phytylquinol	C27H46O2	402.3498	NA	KEGG	NA	NA
+C15992	Cholesterol-5alpha,6alpha-epoxide	C27H46O2	402.3498	NA	KEGG	NA	NA
+C15995	Bombesin	C27H46O2	402.3498	NA	KEGG	NA	NA
+MJ055544	Cyclopapilosine I; N3,N20-Di-Me 	C26H46N2O	402.361014	NA	MeJP	NA	NA
+MJ055545	Cyclovirobuxine I; N20,N20-Di-Me 	C26H46N2O	402.361014	NA	MeJP	NA	NA
+MJ055546	Cyclovirobuxine I; N3,N20-Di-Me 	C26H46N2O	402.361014	NA	MeJP	NA	NA
+MJ055547	Pregnane-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac 	C26H46N2O	402.361014	NA	MeJP	NA	NA
+MJ055548	Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-Ac 	C26H46N2O	402.361014	NA	MeJP	NA	NA
+MJ055549	Pregnane-3,20-diamine, N3,N3,N20-Tri-Me, N20-Ac 	C26H46N2O	402.361014	NA	MeJP	NA	NA
+MJ055550	19-Norstigmastan-3-ol 	C28H50O	402.386166	NA	MeJP	NA	NA
+MJ055551	3-Hydroxymethyl-A-norergostane 	C28H50O	402.386166	NA	MeJP	NA	NA
+MJ055552	Ergostan-3-ol 	C28H50O	402.386166	NA	MeJP	NA	NA
+MetaCyc03399	campestanol [5&alpha;-campestanol;]	C28H50O1	402.386166	NA	metacyc	NA	NA
+HMDB00534	Campestanol	C28H50O	402.386169	NA	HMDB2010	NA	NA
+HMDB00534	Campestanol	C28H50O	402.38617	http://www.hmdb.ca/metabolites/HMDB00534	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00534	Campestanol	C28H50O	402.38617	http://www.hmdb.ca/metabolites/HMDB00534	HMDB	NA	NA
+HMDB00534	Campestanol	C28H50O	402.38617	http://www.hmdb.ca/metabolites/HMDB00534	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00534	Campestanol	C28H50O	402.38617	HMDB00534	PFEM_hmdb_metabocards_official	NA	NA
+C15787	Campestanol	C28H50O	402.3862	NA	KEGG	NA	NA
+MJ055553	1,20,22-Nonacosatriene 	C29H54	402.422551	NA	MeJP	NA	NA
+MJ055554	3,5-Diiodo-4-methoxyphenylethylamine 	C9H11I2NO	402.893	NA	MeJP	NA	NA
+MJ055555	Agelaspongin; 10,11-Dibromo 	C11H11Br2N5O2	402.927949	NA	MeJP	NA	NA
+MJ055556	Dispacamide A 	C11H11Br2N5O2	402.927949	NA	MeJP	NA	NA
+MJ055557	Molokaiamine; N3''-(Cyanoformyl) 	C13H15Br2N3O2	402.953102	NA	MeJP	NA	NA
+MJ055558	Cytidine 5'-diphosphate 	C9H15N3O11P2	403.018181	NA	MeJP	NA	NA
+MJ055559	CDP 	C9H15N3O11P2	403.018181	NA	MeJP	NA	NA
+MetaCyc03400	CDP [cytidine-diphosphate;cytidine-5'-diphosphate;]	C9H15N3O11P2	403.018181	63-38-7	metacyc	NA	NA
+HMDB01546	CDP	C9H15N3O11P2	403.018188	NA	HMDB2010	NA	NA
+HMDB01546	CDP	C9H15N3O11P2	403.01819	http://www.hmdb.ca/metabolites/HMDB01546	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01546	CDP	C9H15N3O11P2	403.01819	http://www.hmdb.ca/metabolites/HMDB01546	HMDB	NA	NA
+HMDB01546	CDP	C9H15N3O11P2	403.01819	http://www.hmdb.ca/metabolites/HMDB01546	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01546	CDP	C9H15N3O11P2	403.01819	HMDB01546	PFEM_hmdb_metabocards_official	NA	NA
+C00112	CDP	C9H15N3O11P2	403.0182	NA	KEGG	NA	NA
+C10908	Fluthiacet-methyl	C15H15ClFN3O3S2	403.0227	NA	KEGG	NA	NA
+MJ055560	Phthalylsulfathiazole 	C17H13N3O5S2	403.029661	NA	MeJP	NA	NA
+C07659	Sulfathalidine	C17H13N3O5S2	403.0297	NA	KEGG	NA	NA
+MJ055561	Botryllamide A; (5E)-Isomer, monodebromo 	C19H18BrNO4	403.04192	NA	MeJP	NA	NA
+MJ055562	Botryllamide A; Monodebromo 	C19H18BrNO4	403.04192	NA	MeJP	NA	NA
+MJ055563	2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-[3-Chloro-2,6-dihydroxy-3-(4-methylhexyl)benzoyl]-4,5-dichloro-1H-pyrrole 	C18H20Cl3NO3	403.050876	NA	MeJP	NA	NA
+MJ055564	2-(3-Alkyl-5-chloro-2,6-dihydroxybenzoyl)-4,5-dichloro-1H-pyrrole; 2-[3-Chloro-2,6-dihydroxy-5-(5-methylhexyl)benzoyl]-4,5-dichloro-1H-pyrrole 	C18H20Cl3NO3	403.050876	NA	MeJP	NA	NA
+MJ055565	2-Hydroxy-4-pentenyl glucosinolate 	C12H21NO10S2	403.060687	NA	MeJP	NA	NA
+C08416	Gluconapoleiferin	C12H21NO10S2	403.0607	NA	KEGG	NA	NA
+MJ055566	Ochratoxin A 	C20H18ClNO6	403.082265	NA	MeJP	NA	NA
+C09955	Ochratoxin A	C20H18ClNO6	403.0823	NA	KEGG	NA	NA
+MJ055567	9-Chloro-2-(2-furanyl)-5-(phenylacetyl)amino[1,2,4]triazolo[1,5-c]quinazoline 	C21H14ClN5O2	403.083602	NA	MeJP	NA	NA
+MJ055568	3-(Methylthiomethyl)cephalosporin C 	C15H21N3O6S2	403.087176	NA	MeJP	NA	NA
+MetaCyc03401	6-(&alpha;-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate []	C12H22N1O12P1	403.087962	NA	metacyc	NA	NA
+C16070	6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate	C12H22NO12P	403.088	NA	KEGG	NA	NA
+HMDB06806	Propinol adenylate	C13H18N5O8P	403.089294	NA	HMDB2010	NA	NA
+MJ055569	Propinol adenylate 	C13H18N5O8P	403.089299	NA	MeJP	NA	NA
+C05983	Propionyladenylate	C13H18N5O8P	403.0893	NA	KEGG	NA	NA
+MJ055570	Polycarpamine D 	C17H25NO4S3	403.09457	NA	MeJP	NA	NA
+MJ055571	3-Methylpentyl glucosinolate 	C13H25NO9S2	403.097072	NA	MeJP	NA	NA
+MJ055572	4-Methylpentyl glucosinolate 	C13H25NO9S2	403.097072	NA	MeJP	NA	NA
+MJ055573	Hexyl glucosinolate 	C13H25NO9S2	403.097072	NA	MeJP	NA	NA
+FL7AAAGS0001	Pelargonidin 3-arabinoside	C20H19O9	403.1029	33569-08-3	knapsack	NA	NA
+FL7AAAGS0002	Taccalin	C20H19O9	403.1029	77974-80-2	knapsack	NA	NA
+MJ055574	7-Methoxydeacetylcephalosporin C 	C15H21N3O8S	403.104935	NA	MeJP	NA	NA
+MJ055575	Hamigeran D 	C21H26BrNO2	403.114691	NA	MeJP	NA	NA
+MJ055576	Hexadiphenium(1+), Bromide 	C21H26BrNO2	403.114691	NA	MeJP	NA	NA
+MJ055577	Azoxystrobin 	C22H17N3O5	403.11682	NA	MeJP	NA	NA
+MJ055578	Alpidem 	C21H23Cl2N3O	403.121817	NA	MeJP	NA	NA
+MJ055579	Adenosine; 3'-(Butyl hydrogen phosphate) 	C14H22N5O7P	403.125684	NA	MeJP	NA	NA
+MJ055580	Peralopride 	C20H22ClN3O4	403.129883	NA	MeJP	NA	NA
+MetaCyc03402	trifluoperazine [TFP;]	C21H20N3F3S1	403.133003	NA	metacyc	NA	NA
+MJ055581	Diplamine; N-De-Ac, N-tigloyl 	C23H21N3O2S	403.135447	NA	MeJP	NA	NA
+MJ055582	Caerulomycin D 	C19H21N3O7	403.13795	NA	MeJP	NA	NA
+MJ055583	Jaconine; 18-Hydroxy 	C18H26ClNO7	403.139779	NA	MeJP	NA	NA
+MJ055584	Sceleratine; 18-Deoxy, 18-chloro, N-oxide 	C18H26ClNO7	403.139779	NA	MeJP	NA	NA
+MJ055585	Lachnanthopyridone; N-(1-Carboxy-2-methylbutyl) 	C24H21NO5	403.141972	NA	MeJP	NA	NA
+MJ055586	Canarius 	C13H21N7O8	403.14516	NA	MeJP	NA	NA
+C07427	Perphenazine	C21H26ClN3OS	403.1485	NA	KEGG	NA	NA
+MJ055587	Perphenazine 	C21H26ClN3OS	403.14851	NA	MeJP	NA	NA
+MJ055588	Adenine; 9H-form, 6N-(3-Hydroxybenzyl), 9-?-D-glucopyranosyl 	C18H21N5O6	403.149183	NA	MeJP	NA	NA
+PJ000940	GPCQ 	C15H25N5O6S	403.1526	NA	PeJP	NA	NA
+MJ055589	Sclerotiorinamine; Me ether 	C22H26ClNO4	403.155036	NA	MeJP	NA	NA
+MJ055590	[[7-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]acetic acid, Et ester 	C22H26ClNO4	403.155036	NA	MeJP	NA	NA
+MJ055591	Bowdensine 	C21H25NO7	403.163102	NA	MeJP	NA	NA
+MJ055592	Clivonine, O-(3-Hydroxybutanoyl) 	C21H25NO7	403.163102	NA	MeJP	NA	NA
+MJ055593	Clivonine, O-(3?-Hydroxybutanoyl) 	C21H25NO7	403.163102	NA	MeJP	NA	NA
+MJ055594	Inaequidenine 	C21H25NO7	403.163102	NA	MeJP	NA	NA
+MJ055595	Stephamiersine; 16-Oxo 	C21H25NO7	403.163102	NA	MeJP	NA	NA
+MJ055596	Tazettine, O-De-Me, 3-O-(3-hydroxybutanoyl) 	C21H25NO7	403.163102	NA	MeJP	NA	NA
+PJ000941	QQE 	C15H25N5O8	403.1703	NA	PeJP	NA	NA
+8116	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GAWA	403.174	anticancer	Inhouse_peptide	NA	peptide
+C12221	Myxochelin B	C20H25N3O6	403.1743	NA	KEGG	NA	NA
+MJ055597	3,3'-Diaminodipropylamine; N3,N3'-Bis(2,3-dihydroxybenzoyl) 	C20H25N3O6	403.174335	NA	MeJP	NA	NA
+MJ055598	Ancistrocladine; 1,2,3,4-Tetradehydro 	C25H25NO4	403.178358	NA	MeJP	NA	NA
+PJ000942	NDR 	C14H25N7O7	403.1816	NA	PeJP	NA	NA
+MJ055599	Melanostatin 	C19H25N5O5	403.185568	NA	MeJP	NA	NA
+PJ000943	AQW 	C19H25N5O5	403.1856	NA	PeJP	NA	NA
+PJ000944	GPCK 	C16H29N5O5S	403.189	NA	PeJP	NA	NA
+C11762	Propantheline chloride	C23H30NO3	403.1914	NA	KEGG	NA	NA
+MJ055600	Stemofoline; 4'-Hydroxy 	C22H29NO6	403.199487	NA	MeJP	NA	NA
+MJ055601	Vilmoridine 	C22H29NO6	403.199487	NA	MeJP	NA	NA
+MJ055602	Donitriptan 	C23H25N5O2	403.200825	NA	MeJP	NA	NA
+3333	human beta-casein fr, 55-61	TQSLVYP	403.202	MH2+	Inhouse_peptide	NA	peptide
+PJ000945	QKE 	C16H29N5O7	403.2067	NA	PeJP	NA	NA
+MJ055603	Dipenine(1+); Bromide 	C20H38BrNO2	403.208592	NA	MeJP	NA	NA
+MJ055604	Aminoxytriphene 	C26H29NO3	403.214743	NA	MeJP	NA	NA
+MJ055605	Doxaminol 	C26H29NO3	403.214743	NA	MeJP	NA	NA
+PJ000946	TQR 	C15H29N7O6	403.2179	NA	PeJP	NA	NA
+PJ000947	GATR 	C15H29N7O6	403.218	NA	PeJP	NA	NA
+MJ055606	Dramedilol 	C20H29N5O4	403.221954	NA	MeJP	NA	NA
+PJ000948	AKW 	C20H29N5O4	403.222	NA	PeJP	NA	NA
+MJ055607	Metergoline 	C25H29N3O2	403.225977	NA	MeJP	NA	NA
+MJ055608	Neoperiphylline 	C25H29N3O2	403.225977	NA	MeJP	NA	NA
+MJ055609	Periphylline 	C25H29N3O2	403.225977	NA	MeJP	NA	NA
+MJ055610	Pleurostyline 	C25H29N3O2	403.225977	NA	MeJP	NA	NA
+C10612	Pleurostyline	C25H29N3O2	403.226	NA	KEGG	NA	NA
+MJ055611	Alkaloid GB11; 14-Me ether, O20-deacetyl 	C23H33NO5	403.235873	NA	MeJP	NA	NA
+MJ055612	Gomandonine; O13-Ac 	C23H33NO5	403.235873	NA	MeJP	NA	NA
+MJ055613	Yuzurimine; Di-O-de-Ac 	C23H33NO5	403.235873	NA	MeJP	NA	NA
+MJ055614	Yuzurine; 13-Oxo, O-de-Me 	C23H33NO5	403.235873	NA	MeJP	NA	NA
+MJ055615	Yuzurine; 3-Epimer, 13-oxo, O-de-Me 	C23H33NO5	403.235873	NA	MeJP	NA	NA
+MJ055616	Changrolin 	C24H29N5O	403.23721	NA	MeJP	NA	NA
+MJ055617	Fortimicin KG; N1-Aminoacetyl 	C17H33N5O6	403.243083	NA	MeJP	NA	NA
+PJ000949	KKE 	C17H33N5O6	403.2431	NA	PeJP	NA	NA
+PJ000950	TKR 	C16H33N7O5	403.2543	NA	PeJP	NA	NA
+MJ055618	Aconasutine 	C24H37NO4	403.272258	NA	MeJP	NA	NA
+MJ055619	Daphnigracine 	C24H37NO4	403.272258	NA	MeJP	NA	NA
+MJ055620	Edifolone 	C24H37NO4	403.272258	NA	MeJP	NA	NA
+MJ055621	Paipunine 	C24H37NO4	403.272258	NA	MeJP	NA	NA
+MJ055622	Yuzurine; O-De-Me 	C24H37NO4	403.272258	NA	MeJP	NA	NA
+MJ055623	Istamycin C 	C18H37N5O5	403.279469	NA	MeJP	NA	NA
+C17995	Istamycin C	C18H37N5O5	403.2795	NA	KEGG	NA	NA
+MJ055624	Tubingensin A; 10,27-Dihydro 	C28H37NO	403.287514	NA	MeJP	NA	NA
+MJ055625	Tubingensin B; 10,27-Dihydro 	C28H37NO	403.287514	NA	MeJP	NA	NA
+C16747	Spergualin	C17H37N7O4	403.2907	NA	KEGG	NA	NA
+MJ055626	Spergualin 	C17H37N7O4	403.290702	NA	MeJP	NA	NA
+MJ055627	Mycestericin A; 12,13-Dihydro 	C21H41NO6	403.293388	NA	MeJP	NA	NA
+MJ055628	Myriocin; 6,7-Dihydro 	C21H41NO6	403.293388	NA	MeJP	NA	NA
+MJ055629	Het403 	C22H37N5O2	403.294725	NA	MeJP	NA	NA
+MJ055630	Mycalazoles; Mycalazole 10 	C26H45NO2	403.345029	NA	MeJP	NA	NA
+MJ055631	Cethexonium(1+); Chloride 	C24H50ClNO	403.358092	NA	MeJP	NA	NA
+MJ055632	3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Docosyl-1H-pyrrole-2-carboxaldehyde 	C27H49NO	403.381415	NA	MeJP	NA	NA
+2603	tachykinin family from white shrimp Penaeus vannam	ASFSPWGG	403.671	MH2+	Inhouse_peptide	NA	peptide
+8291	ACE inhibitor	PGPLGLTGP	403.717	MH2+	Inhouse_peptide	NA	peptide
+8181	peptide derived from bovine k-casein (18û24)	FSDKIAK	403.71795	MH2+	Inhouse_peptide	NA	peptide
+8266	f(18-24) of bovine kappa casein	FSDKIAK	403.71795	MH2+	Inhouse_peptide	NA	peptide
+C11090	Endosulfan	C9H6Cl6O3S	403.8169	NA	KEGG	NA	NA
+MJ055633	4-Bromo-3-butyl-5-(dibromomethyl)-5-hydroxy-2(5H)-furanone 	C9H11Br3O3	403.825832	NA	MeJP	NA	NA
+MJ055634	2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane 	C13H6Cl6O2	403.849895	NA	MeJP	NA	NA
+C08039	Hexachlorophene	C13H6Cl6O2	403.8499	NA	KEGG	NA	NA
+MJ055635	1,1,2-Tribromo-1-octen-3-ol, Ac 	C10H15Br3O2	403.862217	NA	MeJP	NA	NA
+MJ055636	4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, 1''-Iodo 	C10H14BrIO4	403.912015	NA	MeJP	NA	NA
+MJ055637	2,4,7-Trichloro-3,5,6,8-tetrahydroxy-1-methylxanthone; Di-Me ether 	C16H11Cl3O6	403.962121	NA	MeJP	NA	NA
+MJ055638	Ocellenyne 	C16H22Br2O2	403.998655	NA	MeJP	NA	NA
+MJ055639	UDP 	C9H14N2O12P2	404.002196	NA	MeJP	NA	NA
+HMDB00295	Uridine 5'-diphosphate	C9H14N2O12P2	404.002197	NA	HMDB2010	NA	NA
+MetaCyc03403	UDP [uridine-diphosphate;uridine-5'-diphosphate;]	C9H14N2O12P2	404.002197	58-98-0	metacyc	NA	NA
+HMDB00295	Uridine 5'-diphosphate	C9H14N2O12P2	404.0022	http://www.hmdb.ca/metabolites/HMDB00295	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00295	Uridine 5'-diphosphate	C9H14N2O12P2	404.0022	http://www.hmdb.ca/metabolites/HMDB00295	HMDB	NA	NA
+C00015	UDP	C9H14N2O12P2	404.0022	NA	KEGG	NA	NA
+HMDB00295	Uridine 5'-diphosphate	C9H14N2O12P2	404.0022	http://www.hmdb.ca/metabolites/HMDB00295	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00295	Uridine 5'-diphosphate	C9H14N2O12P2	404.0022	HMDB00295	PFEM_hmdb_metabocards_official	NA	NA
+MJ055640	Dysideathiazole; 9,10-Bisdechloro, N-Me 	C14H20Cl4N2OS	404.005044	NA	MeJP	NA	NA
+C13104	Aluminoparaaminosalicylate calcium	C35H59NO13	404.0113	NA	KEGG	NA	NA
+C13105	Transferred to D01644	C35H59NO13	404.0113	NA	KEGG	NA	NA
+C13106	Gadodiamide hydrate	C16H26N5O8	404.0113	NA	KEGG	NA	NA
+C13107	Transferred to D01646	C16H26N5O8	404.0113	NA	KEGG	NA	NA
+C13108	Transferred to D01647	C16H26N5O8	404.0113	NA	KEGG	NA	NA
+MJ055641	Sulfoxone 	C14H16N2O6S3	404.017048	NA	MeJP	NA	NA
+MJ055642	Salazosulfathiazole 	C16H12N4O5S2	404.02491	NA	MeJP	NA	NA
+MJ055643	Topsentin A; 21-Bromo 	C20H13BrN4O	404.027273	NA	MeJP	NA	NA
+MJ055644	Topsentin A; 7-Bromo 	C20H13BrN4O	404.027273	NA	MeJP	NA	NA
+MJ055645	Iolopride 	C15H21IN2O3	404.059685	NA	MeJP	NA	NA
+C04839	3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate	C12H20O13S	404.0625	NA	KEGG	NA	NA
+MJ055646	Delorazepam; 3-Hydroxy, 2,2-dimethylpropanoyl 	C20H18Cl2N2O3	404.069447	NA	MeJP	NA	NA
+MJ055647	1,7-Dihydroxyxanthone; 7-O-?-D-Glucuronopyranoside 	C19H16O10	404.074346	NA	MeJP	NA	NA
+MJ055648	Haemathamnolic acid 	C19H16O10	404.074346	NA	MeJP	NA	NA
+MJ055649	Lactothamnolic acid; 18-Deoxo 	C19H16O10	404.074346	NA	MeJP	NA	NA
+MJ055650	Arclofenin 	C19H17ClN2O6	404.077513	NA	MeJP	NA	NA
+MJ055651	Cnidimonal 	C23H16O7	404.089602	NA	MeJP	NA	NA
+MJ055652	Diospyrin; 3'-Methoxy 	C23H16O7	404.089602	NA	MeJP	NA	NA
+MetaCyc03404	5'-(p-nitrophenyl)thioadenosine []	C16H16N6O5S1	404.090288	NA	metacyc	NA	NA
+MJ055653	N-[2-Amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)urea 	C18H18Cl2N6O	404.091914	NA	MeJP	NA	NA
+MJ055654	Mollicellin D 	C21H21ClO6	404.102666	NA	MeJP	NA	NA
+MJ055655	Tosufloxacin 	C19H15F3N4O3	404.109624	NA	MeJP	NA	NA
+FL1CAAGS0003	Chalconaringenin 2'-xyloside	C20H20O9	404.11073	76840-08-9	knapsack	NA	NA
+FL1CELNS0003	2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-3',4'-methylenedioxychalcone	C20H20O9	404.11073	121697-07-2	knapsack	NA	NA
+FL3FELNS0005	Psiadiarabicin	C20H20O9	404.11073	111950-81-3	knapsack	NA	NA
+FL3FGGNS0003	Gardenin C;3',5-Dihydroxy-4',5',6,7,8-pentamethoxyflavone\r\n;5-Hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O9	404.11073	29550-05-8	knapsack	NA	NA
+FL3FGGNS0012	5,4'-Dihydroxy-6,7,8,3',5'-pentamethoxyflavone;5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O9	404.11073	240804-39-1	knapsack	NA	NA
+FL3FGLNS0003	Agehoustin F	C20H20O9	404.11073	111316-38-2	knapsack	NA	NA
+FL5FEGNS0012	Apuleirin	C20H20O9	404.11073	34318-34-8	knapsack	NA	NA
+FL5FEGNS0013	Murrayanol	C20H20O9	404.11073	76444-62-7	knapsack	NA	NA
+FL5FEGNS0014	5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone	C20H20O9	404.11073	72357-40-5	knapsack	NA	NA
+FL5FELNS0011	Apulein	C20H20O9	404.11073	20362-24-7	knapsack	NA	NA
+FL5FELNS0012	6,5'-Dihydroxy-3,5,7,2',4'-pentamethoxyflavone	C20H20O9	404.11073	80496-69-1	knapsack	NA	NA
+FL5FELNS0013	6,2'-Dihydroxy-3,5,7,4',5'-pentamethoxyflavone	C20H20O9	404.11073	72947-65-0	knapsack	NA	NA
+FL5FELNS0014	5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone	C20H20O9	404.11073	71827-10-6	knapsack	NA	NA
+FL5FELNS0015	Brickellin	C20H20O9	404.11073	90357-63-4	knapsack	NA	NA
+FL5FELNS0016	Distemonatin	C20H20O9	404.11073	78368-30-6	knapsack	NA	NA
+FL5FFGNS0006	Conyzatin	C20H20O9	404.11073	62953-00-8	knapsack	NA	NA
+FL5FFLNS0004	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone	C20H20O9	404.11073	-	knapsack	NA	NA
+FL5FGCNS0014	5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone;3'-Methoxycalycopterin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C20H20O9	404.11073	50439-47-9	knapsack	NA	NA
+FL5FGCNS0015	5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C20H20O9	404.11073	102673-80-3	knapsack	NA	NA
+FL5FGCNS0016	3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O9	404.11073	158437-63-9	knapsack	NA	NA
+FL5FGCNS0027	5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O9	404.11073	481-54-9	knapsack	NA	NA
+FL5FGLNS0002	5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone	C20H20O9	404.11073	70368-17-1	knapsack	NA	NA
+FL5FGLNS0003	5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone	C20H20O9	404.11073	70368-16-0	knapsack	NA	NA
+MJ055656	1,7-Dihydroxyxanthone; 1-Me ether, 7-O-?-D-glucopyranoside 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055657	2',3',4',5,5',6,7-Heptahydroxyflavone; 2',4',5',6,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055658	2',3',4',5,5',6,7-Heptahydroxyisoflavone; 2',3',4',5',6-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055659	2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',5',7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055660	2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',5,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055661	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055662	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5,5',7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055663	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5,6,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055664	2',3,4',5,6,7,8-Heptahydroxyflavone; 2',3,6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055665	2',3,4',5,6,7,8-Heptahydroxyflavone; 3,4',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055666	2',4',5,5',6,7,8-Heptahydroxyflavone; 4',5',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055667	2',4',5,5',6,7,8-Heptahydroxyflavone; 5,5',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055668	2',4,4',6'-Tetrahydroxychalcone; 2'-O-Xyloside 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055669	2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2',3,4,5-Tetra-Me, 3',4'-methylene ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055670	2-(3,5-Dihydroxyphenyl)-6-hydroxybenzofuran; 3'-O-?-D-Glucopyranoside 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055671	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5',6,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055672	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',5',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055673	3',4',5,5',6,7,8-Heptahydroxyflavone; 4',5',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055674	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',5,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055675	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5',6,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055676	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6,7-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055677	3,3',4',5,5',7,8-Heptahydroxyflavone; 3',4',5',7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055678	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',4',5',8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055679	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',5',7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055680	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055681	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055682	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,4',6,7,8-Penta-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055683	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 6-O-?-D-Glucopyranoside, 8-deoxy 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055684	Echinocarpic acid; 4'-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055685	Elatinic acid 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055686	Griseusin B, O-De-Ac 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055687	Plicatic acid; 9',9-Lactone 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055688	Sculezonone A; 8-Hydroxy 	C20H20O9	404.110732	NA	MeJP	NA	NA
+MJ055689	Squamatic acid; 2-Me ether 	C20H20O9	404.110732	NA	MeJP	NA	NA
+C11619	Spectinomycin dihydrochloride	C14H24N2O7	404.1117	NA	KEGG	NA	NA
+MJ055690	Sulfinpyrazone 	C23H20N2O3S	404.119463	NA	MeJP	NA	NA
+C07317	Sulfinpyrazone	C23H20N2O3S	404.1195	NA	KEGG	NA	NA
+MJ055691	FR 900280 	C19H20N2O8	404.121965	NA	MeJP	NA	NA
+FL1DA9NN0002	Calomelanol C	C24H20O6	404.12598	137319-46-1	knapsack	NA	NA
+FL1DAANN0001	Calomelanol B	C24H20O6	404.12598	137319-45-0	knapsack	NA	NA
+MJ055692	?-Indomycinone 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055693	Calomelanol B 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055694	Diosindigo A 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055695	Diosindigo B 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055696	Disparacetylfuran A 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055697	Lemuninol A 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055698	Saptomycin A 	C24H20O6	404.125988	NA	MeJP	NA	NA
+MJ055699	1,1'-Methylenebis[2-phenazinol] 	C25H16N4O2	404.127325	NA	MeJP	NA	NA
+MJ055700	1,2-Benzenediol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055701	1,2-Benzenediol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055702	4-O-Methyl-myo-inositol, Penta-Ac 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055703	Antirrhinoside; 6'-Ac 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055704	Arbutin; 2-O-?-D-Apiofuranosyl 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055705	Arbutin; 6-O-?-D-Apiofuranosyl 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055706	Arbutin; 6-O-?-D-Xylopyranosyl 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055707	Forsythide; 10-Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055708	Forsythide; 11-Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055709	Gentioside 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055710	Harpagide; 3'-Ketone, 8-Ac 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055711	Hastatoside 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055712	Kingiside 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055713	Majoroside; 10-Hydroxy 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055714	Monomelittoside; 10-Ac 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055715	Monotropein; Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055716	Oleoside; 1,5-Diepimer, 11-Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055717	Oleoside; 11-Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055718	Scandoside; 6-Epimer, Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055719	Scandoside; 6-Epimer, O6-Me 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055720	Scandoside; Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055721	Secogalioside; 10-Deoxy 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055722	Secologanol; 7-Carboxylic acid 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055723	Sesamoside; 5-Deoxy 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055724	Theveside; Me ester 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055725	Theveside; O5-Me 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055726	Verbenalol; O-?-D-Glucopyranoside, 10-hydroxy 	C17H24O11	404.131861	NA	MeJP	NA	NA
+MJ055727	Zaluzioside 	C17H24O11	404.131861	NA	MeJP	NA	NA
+C09779	Gardenoside	C17H24O11	404.1319	NA	KEGG	NA	NA
+C09798	Scandoside methyl ester	C17H24O11	404.1319	NA	KEGG	NA	NA
+MJ055728	Enpiroline 	C19H18F6N2O	404.132332	NA	MeJP	NA	NA
+PJ000951	GPCE 	C15H24N4O7S	404.1366	NA	PeJP	NA	NA
+MJ055729	Bentiromide 	C23H20N2O5	404.137221	NA	MeJP	NA	NA
+MJ055730	Cloxypendyl 	C20H25ClN4OS	404.143759	NA	MeJP	NA	NA
+MJ055731	Flustramine D; N-Oxide 	C21H29BrN2O	404.146326	NA	MeJP	NA	NA
+MJ055732	Flustrarine B 	C21H29BrN2O	404.146326	NA	MeJP	NA	NA
+C10708	Mallotophenone	C21H24O8	404.1471	NA	KEGG	NA	NA
+FL2FEGNS0005	5,6,7,3',4',5'-Hexamethoxyflavanone	C21H24O8	404.14711	74064-17-8	knapsack	NA	NA
+FL6FA9GS0001	Koaburanin	C21H24O8	404.14711	30984-77-1	knapsack	NA	NA
+MJ055733	1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055734	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-Me ether, 4'-O-?-D-glucopyranoside 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055735	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-Me ether, 3-O-?-D-glucopyranoside 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055736	2,3-Epoxy-1,6,10-trihydroxy-9-furanoeremophilanone, 6-(2-Methylpropenoyl), 1-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055737	3',4',5,5',6,7-Hexahydroxyflavanone, Hexa-Me ether 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055738	3',4',5,6,7,8-Hexahydroxyflavanone; Hexa-Me ether 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055739	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055740	4,4',8,9'-Tetrahydroxy-3',5-dimethoxy-2,7'-cyclolignan-9-oic acid; Me ester 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055741	5,7-Dihydroxyflavan, 7-O-?-D-Glucopyranoside 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055742	5,8,9-Trihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 8-O-(2-Methyl-2-propenoyl), 9-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055743	8,14,15-Trihydroxy-1,3,11(13)-elematrien-12,6-olide, 15-Aldehyde, 8-O-(2-hydroxymethyl-2-propenoyl), 14-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055744	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 15-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055745	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055746	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2-Methylpropenoyl), 15-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055747	Eremantholide C; 15-Acetoxy 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055748	Eusiderin M; 9'-Hydroxy, O4'-de-Me 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055749	Fraxiresinol 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055750	Helipyrone; Di-Ac 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055751	Mallotophenone 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055752	Medioresinol, 9?-Hydroxy 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055753	Norflavaspidic acid AB 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055754	Pseudocyphellarin B 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055755	Sekikaic acid; 4,4'-Di-O-de-Me, 2'-Me ether 	C21H24O8	404.147117	NA	MeJP	NA	NA
+MJ055756	Sekikaic acid; 4-O-De-Me 	C21H24O8	404.147117	NA	MeJP	NA	NA
+PJ000952	PCW 	C19H24N4O4S	404.1518	NA	PeJP	NA	NA
+PJ000953	QEE 	C15H24N4O9	404.1543	NA	PeJP	NA	NA
+PJ000954	GAEE 	C15H24N4O9	404.1544	NA	PeJP	NA	NA
+MJ055757	2,5-Dimethyldodecanoic acid; (Z)-3-Acetoxy-3-bromo-1-propenyl ester 	C19H33BrO4	404.156222	NA	MeJP	NA	NA
+MJ055758	Aknadinine, 1-Nitro 	C20H24N2O7	404.158351	NA	MeJP	NA	NA
+C12220	Myxochelin A	C20H24N2O7	404.1584	NA	KEGG	NA	NA
+FL1C1ANP0010	Glyinflanin G	C25H24O5	404.16237	164123-53-9	knapsack	NA	NA
+FL1CAANP0002	Laxichalcone	C25H24O5	404.16237	138079-68-2	knapsack	NA	NA
+FL1CHYNP0005	Glyinflanin D	C25H24O5	404.16237	142750-25-2	knapsack	NA	NA
+FL2FAANP0004	Euchrenone a1	C25H24O5	404.16237	116310-61-3	knapsack	NA	NA
+FL3FA9NP0003	Fulvinervin C;(E)-5-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-6-[(1E)-3-hydroxy-3-methyl-1-butenyl]-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H24O5	404.16237	104363-11-3	knapsack	NA	NA
+FL3FAANP0004	Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H24O5	404.16237	144049-81-0	knapsack	NA	NA
+FL3FAANP0005	Isolaxifolin;5-Hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C25H24O5	404.16237	144049-82-1	knapsack	NA	NA
+FL4DA9NP0002	MS II;3-Hydroxy-bis(6'',6''-dimethylpyrano[2'',3'':5,6][2'',3'':7,8]flavanone	C25H24O5	404.16237	182926-99-4	knapsack	NA	NA
+FL5FA9NP0001	Sericetin	C25H24O5	404.16237	42438-75-5	knapsack	NA	NA
+FL6FDANC0001	4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan	C25H24O5	404.16237	63524-12-9	knapsack	NA	NA
+FLIAAANP0001	Osajin	C25H24O5	404.16237	482-53-1	knapsack	NA	NA
+FLIAAANP0004	Chandalone	C25H24O5	404.16237	22263-55-4	knapsack	NA	NA
+FLIAAANP0005	Warangalone;Scandenone	C25H24O5	404.16237	4449-55-2	knapsack	NA	NA
+FLIAAANP0006	4'-O-Prenylalpinumisoflavone	C25H24O5	404.16237	85985-76-8	knapsack	NA	NA
+FLIAAANP0009	Isochandalone;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone	C25H24O5	404.16237	121747-90-8	knapsack	NA	NA
+FLIAAANP0011	Ulexone A;5,7-Dihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone	C25H24O5	404.16237	128988-20-5	knapsack	NA	NA
+FLIE1ANI0005	Puerarol;3,9-Dihydroxy-2-geranylcoumestan	C25H24O5	404.16237	155645-56-0	knapsack	NA	NA
+FLNAA9NP0003	Inophyllolide chromanol	C25H24O5	404.16237	20307-10-2	knapsack	NA	NA
+FLNAA9NP0006	5-Hydroxy-10-prenyl-7,8-dihydro-7,8-trans-dimethyl-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione	C25H24O5	404.16237	21824-07-7	knapsack	NA	NA
+FLNAA9NP0007	Mammeigin;5-Hydroxy-6'',6''-dimethyl-6-(3-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin	C25H24O5	404.16237	04/11/2289	knapsack	NA	NA
+FLNAA9NP0008	5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin;MAB5	C25H24O5	404.16237	30390-18-2	knapsack	NA	NA
+MJ055759	2,3-Dihydro-3-hydroxy-6,6,10,10-tetramethyl-2-phenyl-4H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-4-one 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055760	3,9-Dihydroxy-2,10-diprenylcoumestan 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055761	4',7-Dihydroxy-4-(4-hydroxystyryl)flavan, 5-Methoxy, 7-Me ether 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055762	Alpinumisoflavone; 4'-O-(3-Methyl-2-butenyl) 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055763	Calaustralin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055764	Calophyllolide; 2'',3''-Dihydro, O-de-Me 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055765	Chandalone 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055766	Cyclomammeisin; 1'-Deoxy, 1',2'-didehydro 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055767	Euchrenone a1 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055768	Ficusin A 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055769	Fulvinervin C 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055770	Glyinflanin D 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055771	Glyinflanin G 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055772	Inophyllum A 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055773	Inophyllum G1 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055774	Isochandalone 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055775	Isolaxifolin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055776	Isomammeigin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055777	Isoosajin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055778	Laxichalcone 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055779	Laxifolin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055780	Lespedezol A3 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055781	MAB 5 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055782	Mammeigin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055783	Mesuagin; Me ether 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055784	Osajin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055785	Ploiariquinone A 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055786	Puerarol 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055787	Scandenone 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055788	Sericetin 	C25H24O5	404.162373	NA	MeJP	NA	NA
+MJ055789	Ulexone A 	C25H24O5	404.162373	NA	MeJP	NA	NA
+C10511	Osajin	C25H24O5	404.1624	NA	KEGG	NA	NA
+PJ000955	DDR 	C14H24N6O8	404.1656	NA	PeJP	NA	NA
+MJ055790	Lamiol; 6-Deoxy, 8-Ac 	C18H28O10	404.168247	NA	MeJP	NA	NA
+MJ055791	Suspensoside A; 10-Ac 	C18H28O10	404.168247	NA	MeJP	NA	NA
+PJ000956	AEW 	C19H24N4O6	404.1696	NA	PeJP	NA	NA
+PJ000957	GPTM 	C16H28N4O6S	404.173	NA	PeJP	NA	NA
+MJ055792	Abecarnil 	C24H24N2O4	404.173607	NA	MeJP	NA	NA
+MJ055793	Nicocodine 	C24H24N2O4	404.173607	NA	MeJP	NA	NA
+MJ055794	Ascochlorin 	C23H29ClO4	404.175437	NA	MeJP	NA	NA
+MJ055795	Chlormadinone; Ac 	C23H29ClO4	404.175437	NA	MeJP	NA	NA
+MJ055796	Cismadinone; 17-O-Acetate 	C23H29ClO4	404.175437	NA	MeJP	NA	NA
+C09117	Isodonal	C22H28O7	404.1835	NA	KEGG	NA	NA
+C09361	Chromolaenide	C22H28O7	404.1835	NA	KEGG	NA	NA
+C09427	Eupacunin	C22H28O7	404.1835	NA	KEGG	NA	NA
+C09436	Eupaserrin	C22H28O7	404.1835	NA	KEGG	NA	NA
+C09437	Eupatocunin	C22H28O7	404.1835	NA	KEGG	NA	NA
+C09572	Ursiniolide A	C22H28O7	404.1835	NA	KEGG	NA	NA
+MJ055797	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Tigloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055798	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 14-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055799	1,12:4,18-Diepoxy-6-hydroxy-3-oxo-13-cleroden-16,15-olide, Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055800	1,20-Epoxy-1,3(20),6,10,14-phytapentaene-18,19-dioic acid, 17-Acetoxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055801	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-propanoyl 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055802	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 1-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055803	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055804	1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055805	1,5,6,7-Tetrahydroxy-17-vouacapanoic acid, 17?7 Lactone, 6-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055806	1,6,10-Trihydroxyfuranoeremophilan-9-one, 1-Angeloyl, 6-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055807	1,6,10-Trihydroxyfuranoeremophilan-9-one, 6-Angeloyl, 1-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055808	1,9-Dihydroxy-3,11(13)-eudesmadien-12,8-olide, 9-O-(4-hydroxy-2-methyl-2-butenoyl), 1-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055809	1-(3,4,5-Trihydroxyphenyl)-1-propanol, 3',4',5'-Tri-Me ether, 1-O-[2-(2-methyl-2-butenoyloxymethyl)-2-butenoyl] (Z,Z-) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055810	1-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-[2-(2-methyl-2-butenoyloxymethyl)-2-butenoyl](Z,Z-) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055811	1-Ethyl-6-hydroxy-4(4-hydroxy-3,5-dimethoxybenzyl)-5,7-dimethoxyisochroman 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055812	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 14-(2-methylbutanoyl), 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055813	15,16-Epoxy-1,12,17-trihydroxy-3,13(16),14-clerodatrien-18,6-olide, 17-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055814	15,16-Epoxy-1,7,12-trihydroxy-3,13(16),14-clerodatrien-18,6-olide, 1-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055815	15,16-Epoxy-6,18,19-trihydroxy-3,13(16),14-clerodatrien-20,12-olide, 19-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055816	15,16-Epoxy-8,9-dihydroxy-7-oxo-13(16),14-labdadien-19,6-olide, 8-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055817	2,3,4-Trihydroxy-10(14),11(13)-guaiadien-12,8-olide, 3-Angeloyl, 2-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055818	2,7-Dihydroxy-3,13-clerodadiene-16,15:18,19-diolide, 2-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055819	2,7-Dihydroxy-3,13-clerodadiene-16,15:18,19-diolide, 7-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055820	2,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 2-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055821	2,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055822	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055823	2,8-Dihydroxy-3,13-clerodadiene-6,18:15,16-diolide, 2-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055824	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)-1-propanol; 3,3',4,5'-Tetra-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055825	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)-1-propanol; 3,3',5,5'-Tetra-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055826	2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol, 3',3'',5''-Tri-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055827	3,20:16,17-Diepoxy-6,15-dihydroxy-1,7-kauranedione, 15-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055828	3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,3',5,5'-Tetra-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055829	3,3',4,4',5,9,9'-Heptahydroxylignan, 3',4'-Methylene, 3,4,5-tri-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055830	3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,5-Tetra-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055831	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,4'-Tetra-Me ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055832	3,3',4,4',7,7'-Hexahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether, O7-Et 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055833	3,4-Dihydroxy-7(11),8-eudesmadien-12,8-olide, 3-O-(2,3-Epoxy-2-methylbutanoyl), 4-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055834	3,6,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,8-olide, 6(or 9)-Angeloyl, 9(or 6)-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055835	3,6-Dihydroxyfuranoeremophilan-9-one, 6-(2,3-Epoxy-2-methylbutanoyl), 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055836	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055837	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055838	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055839	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055840	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055841	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055842	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055843	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl), 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055844	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055845	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055846	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl), 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055847	3-(3,4,5-Trihydroxyphenyl)-2-propen-1-ol, 3',4',5'-Tri-Me ether, 1-O-[2-(2-angeloyloxymethyl)-2Z-butenoyl] 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055848	4,18:15,16-Diepoxy-6,12-dihydroxy-13(16),14-clerodadien-20,19-olide, 6-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055849	4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055850	4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055851	4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055852	4,5-Epoxy-8,13-dihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055853	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055854	4,6,9-Trihydroxy-1(10),2-guaiadien-12,8-olide, 9-Ac, 6-angeloyl 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055855	4,6,9-Trihydroxy-1(10),2-guaiadien-12,8-olide, 9-Ac, 6-tigloyl 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055856	4,8,13-Trihydroxy-7(11)-bourbonen-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055857	4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055858	5,8,9-Trihydroxy-1(10),3-guaiadien-12,6-olide, 9-Angeloyl, 8-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055859	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 15-(2-Acetoxymethyl-2E-butenoyl) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055860	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 11?,13-Dihydro, 6-(3-methyl-2-butenoyl), 8-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055861	6,8-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,9-olide, 8-(2-Methylbutanoyl), 6-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055862	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-(2-Methylbutanoyl), 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055863	7,12-Dihydroxy-3,13-clerodadiene-15,16:18,19-diolide, 7-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055864	8,10-Dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl, 10-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055865	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl)(E-) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055866	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 14-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055867	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl) (E-) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055868	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Acetoxy-2-methyl-2E-butenoyl) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055869	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 14-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055870	8,14-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl) (E-) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055871	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 15-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055872	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl), 15-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055873	8,17:15,16-Diepoxy-6,9-dihydroxy-13(16),14-labdadien-19,20-olide, 6-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055874	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 14-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055875	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055876	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055877	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055878	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-4-hydroxy-2E-butenoyl) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055879	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2E-butenoyl) 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055880	9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(2-methylbutanoyl), 8-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055881	9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(3-methylbutanoyl), 8-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055882	9,13:15,16-Diepoxy-8-hydroxy-7-oxo-14-labden-19,16-olide, 8-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055883	Alysine A; 1-Deoxy, 3-de-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055884	Alysine D 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055885	Binankadsurin B; 4-O-De-Me 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055886	Cyclomammein; 1'-Hydroperoxide 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055887	Dunnianin 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055888	Enmein; 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055889	Eremantholide B; 15-Hydroxy, 17,18-didehydro, 16-Et ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055890	Floridanolide; 14-Benzoyloxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055891	Fredericone C 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055892	Isodonal 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055893	Leopersin F 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055894	Myristicanol A; 3'-Demethoxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055895	Neoolivil; 9-Et ether 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055896	Nepetaefolin 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055897	Phyllostachysin A; 11-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055898	Picrasinol C 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055899	Plectranthone H; 7?-Hydroxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055900	Ponicidin; 1-Deoxy, 11?-acetoxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055901	Quassin; 18-Hydroxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055902	Rastronol H 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055903	Scytalidin 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055904	Teucroxide; 2-Deoxy, 18-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055905	Teumicropin; 3-Ac 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055906	Trichorabdal D; 11-Deoxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055907	Trichorabdal D; 3-Deoxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055908	Trichorabdal E; 11-Deoxy 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055909	Trichorabdal H 	C22H28O7	404.183503	NA	MeJP	NA	NA
+MJ055910	?-Intermedianol 	C22H28O7	404.183503	NA	MeJP	NA	NA
+PJ000958	KEE 	C16H28N4O8	404.1907	NA	PeJP	NA	NA
+MJ055911	Alcaligin 	C16H28N4O8	404.190713	NA	MeJP	NA	NA
+MJ055912	Gelselegine; 19R-Hydroxy, 11-methoxy 	C21H28N2O6	404.194736	NA	MeJP	NA	NA
+8017	synthetic peptide	LWS	404.195	antibacterial	Inhouse_peptide	NA	peptide
+MJ055913	Zoamides; !Zoamide B 	C22H24N6O2	404.196074	NA	MeJP	NA	NA
+MJ055914	15-Chloro-8,13-epoxy-14-hydroxy-2,3-seco-2,3-labdanedioic acid 	C20H33ClO6	404.196566	NA	MeJP	NA	NA
+3976	ACE inhibitor	LAMA	404.1984	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL1CA9NP0007	Boesenbergin A	C26H28O4	404.19875	81943-62-6	knapsack	NA	NA
+FL1CA9NP0008	Boesenbergin B	C26H28O4	404.19875	93208-46-9	knapsack	NA	NA
+FLIA1ANI0005	7-Geranylformononetin;4'-Methoxy-7-geranyloxyisoflavone	C26H28O4	404.19875	130289-24-6	knapsack	NA	NA
+MJ055915	7-Hydroxy-4'-methoxyisoflavone; 7-O-(3,7-Dimethyl-2,6-octadienyl) 	C26H28O4	404.198759	NA	MeJP	NA	NA
+MJ055916	Boesenbergin A 	C26H28O4	404.198759	NA	MeJP	NA	NA
+MJ055917	Boesenbergin B 	C26H28O4	404.198759	NA	MeJP	NA	NA
+MJ055918	Monachosorin A 	C26H28O4	404.198759	NA	MeJP	NA	NA
+MJ055919	Monachosorin C 	C26H28O4	404.198759	NA	MeJP	NA	NA
+7755	soymorphin-7	YPFVVNA	404.19945	MH2+	Inhouse_peptide	NA	peptide
+3588	NA	WWPKHG~	404.1995	MH2+	Inhouse_peptide	NA	peptide
+PJ000959	TER 	C15H28N6O7	404.202	NA	PeJP	NA	NA
+C14922	15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate	C23H32O4S	404.2021	NA	KEGG	NA	NA
+MJ055920	5,11-Epoxy-7-megastigmene-3,6,9-triol, 3-O-?-D-Glucopyranoside 	C19H32O9	404.204632	NA	MeJP	NA	NA
+MJ055921	7-Megastigmene-2,5,6,9-tetrol, 9-Ketone, 5-O-?-D-glucopyranoside 	C19H32O9	404.204632	NA	MeJP	NA	NA
+MJ055922	9-Hydroxy-2,2,4-trimethyl-6-oxo-3-decenoic acid, O-?-D-Glucopyranoside 	C19H32O9	404.204632	NA	MeJP	NA	NA
+PJ000960	SLW 	C20H28N4O5	404.206	NA	PeJP	NA	NA
+MJ055923	Flunarizine 	C26H26F2N2	404.206405	NA	MeJP	NA	NA
+PJ000961	AALM 	C17H32N4O5S	404.2094	NA	PeJP	NA	NA
+MJ055924	Mycothiazole 	C22H32N2O3S	404.213363	NA	MeJP	NA	NA
+3276	NA	KPGEPGPK	404.214	MH2+	Inhouse_peptide	NA	peptide
+MJ055925	1(10)-Guaiene-4,6,8-triol, 8-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055926	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-Ac 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055927	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 19-Malonyl 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055928	15-Hydroxy-3-cleroden-18,19-olide, 13,14-Didehydro, 15-O-malonyl 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055929	2,3,12,16-Tetrahydroxypregna-4,7-dien-20-one, 16-Ac 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055930	2,3,14-Trihydroxy-11-oxo-20(22)-cardenolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055931	3,11,14-Trihydroxy-12-oxocard-20(22)-enolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055932	3,12,14-Trihydroxypregn-5-ene-15,20-dione, 12-Ac 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055933	3,14,15-Trihydroxy-19-oxocard-20(22)-enolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055934	3,14,16-Trihydroxy-19-oxo-5?H-card-20(22)-enolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055935	3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4',9-Penta-Me ether 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055936	3,4-Epoxy-7(14),10-bisaboladiene-1,2,8-triol; 2-Ketone, 8-(2-hexenoyl)(Z-), 1-Ac 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055937	3,4-Epoxy-8,10-guaianediol; 8-(3-Hydroxy-4-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055938	3,4-Epoxy-8,10-guaianediol; 8-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055939	3,5,14,19-Tetrahydroxycarda-16,20(22)-dienolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055940	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055941	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3,8-Bis(2-methylpropanoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055942	4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 8-Ketone, 1-octanoyl 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055943	4,5-Epoxy-1(10)-germacrene-6,8-diol, 4-Hydroxy-3-methoxybenzoyl 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055944	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055945	5,9-Epoxy-10,12-daucanediol, 12-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055946	6,7-Dihydroxy-17-vouacapanoic acid, 6-Ac, Me ester 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055947	6,7-Epoxy-1-hydroxy-5-oxo-4(15)-hirsuten-12-oic acid, 1-Octanoyl 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055948	7,12,16-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Me ether, 16-Ac 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055949	7,8-Epoxy-3,12,14-trihydroxycard-20(22)-enolide 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055950	7-Daucene-4,6,9-triol, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055951	7-Hydroxy-1,3,11-cembratrien-20,8-olid-18-oic acid, 7-Ac, Me ester 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055952	8,9-Epoxy-4,6-daucanediol, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055953	8-Daucene-2,4,6-triol, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055954	8-Daucene-4,6,10-triol, 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055955	Antibiotic K76; 7'-Alcohol 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055956	Calotropagenin 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055957	Fexerol; 1-(4-Hydroxy-3-methoxybenzoyl) 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055958	Memnoconol 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055959	Quassin; 1?-Alcohol, Me ether 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055960	Recedensic acid 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055961	Shikoccin; 8?,14?-Epoxide, 7-Me ether 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055962	Spirolaxine 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055963	Trichoverrol A; 15-Deoxy 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MJ055964	Trichoverrol A; 7'-Epimer, 15-deoxy 	C23H32O6	404.219888	NA	MeJP	NA	NA
+MetaCyc03405	cortisol 21-acetate [Hydrocortisone acetate;]	C23H32O6	404.219889	50-03-3	metacyc	NA	NA
+C02821	Cortisol 21-acetate	C23H32O6	404.2199	NA	KEGG	NA	NA
+PJ000962	VMR 	C16H32N6O4S	404.2206	NA	PeJP	NA	NA
+MJ055965	Altapizone 	C24H28N4O2	404.221226	NA	MeJP	NA	NA
+PJ000963	ATTL 	C17H32N4O7	404.2271	NA	PeJP	NA	NA
+MJ055966	Benzquinamide 	C22H32N2O5	404.231122	NA	MeJP	NA	NA
+MJ055967	Dimetagrel 	C22H32N2O5	404.231122	NA	MeJP	NA	NA
+C14645	Estradiol-17-phenylpropionate	C27H32O3	404.2351	NA	KEGG	NA	NA
+CJneg0594	Heptylmalonic acid  [(2M-H)]-	C20H35O8	404.240925	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0594	Heptylmalonic acid  [(2M-H)]-	C20H35O8	404.240925	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00447	7a,12a-Dihydroxy-3-oxo-4-cholenoic acid	C24H36O5	404.25626	http://www.hmdb.ca/metabolites/HMDB00447	HMDB	NA	NA
+HMDB00447	7a,12a-Dihydroxy-3-oxo-4-cholenoic acid	C24H36O5	404.25626	HMDB00447	PFEM_hmdb_metabocards_official	NA	NA
+MJ055968	1(15),8(19)-Trinervitadiene-2,3,9-triol, 2,3-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055969	1(15),8-Dolastadiene-4,6,14-triol, 4,6-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055970	1(15),8-Dolastadiene-4,7,14-triol, 4,7-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055971	1(15),8-Dolastadiene-6,7,14-triol, 6,7-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055972	1,3,7,11-Cembratetraene-13,14-diol, 11S,12R-Epoxide, 13,14-di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055973	10,12-Epoxy-4,10-seco-2,13(15),17-spatatriene-5,10,12-triol, 10,12-Di-Me ether, 5-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055974	10,18-Dihydroxy-2,8-dolabelladien-6-one, Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055975	11,15(17)-Trinervitadiene-3,9,13-triol, 3,13-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055976	15,16-Dihydroxy-12-isocopalen-11-one; Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055977	15,16-Epoxy-3,12-clerodadiene-15,16-diol, Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055978	15,16-Epoxy-4(18),12-clerodadiene-15,16-diol, Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055979	15,17-Dihydroxy-12-isocopalen-16-al; Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055980	15,17-Dihydroxy-3,13-clerodadien-2-one, Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055981	15-Beyerene-1,12,17-triol, 1,12-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055982	15-Beyerene-1,12,17-triol, 1,17-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055983	15-Kaurene-7,17,18-triol, 7,17-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055984	16-Kaurene-3,19-diol, 19-Succinoyl ester 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055985	2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 2-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055986	2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 5-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055987	2,7-Dolabelladiene-6,10,18-triol, 6-Ketone, di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055988	2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol, 4-Ketone, 11-butanoyl 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055989	3,12-Cyathadiene-11,14,15-triol, 11,15-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055990	3,9-Dihydroxy-15-kauren-19-oic acid, 3-(2-Methylpropanoyl) 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055991	6,13-Epoxy-3,8-eunicelladiene-2,12-diol, Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055992	7,11,14-Labdatriene-6,13,17-triol, 6,17-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055993	7,13-Dihydroxy-3,14-clerodadien-2-one, Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055994	8(14),15-Isopimaradiene-1,7,11-triol, 1,11-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055995	Antibiotic CJ 13104; 13'-Ketone 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055996	Dictyotriol A; 9,12-Di-Ac 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055997	Hexanorcucurbitacin F 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055998	Lucidone C 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ055999	Mevinolin 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MJ056000	Udoteal; 6,7-Dihydro 	C24H36O5	404.256274	NA	MeJP	NA	NA
+MetaCyc03406	lovastatin []	C24H36O5	404.256274	NA	metacyc	NA	NA
+HMDB00447	7a,12a-Dihydroxy-3-oxo-4-cholenoic acid	C24H36O5	404.256287	NA	HMDB2010	NA	NA
+C07074	Lovastatin	C24H36O5	404.2563	NA	KEGG	NA	NA
+C15568	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate	C24H36O5	404.2563	NA	KEGG	NA	NA
+MJ056001	Retelliptine 	C25H32N4O	404.257611	NA	MeJP	NA	NA
+MJ056002	Iguesterin 	C28H36O2	404.27153	NA	MeJP	NA	NA
+MJ056003	Mepitiostane 	C25H40O2S	404.274901	NA	MeJP	NA	NA
+MJ056004	12,14-Labdadiene-6,7,8-triol, 6-Angeloyl 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056005	15-Isopimarene-8,11,12-triol, 11-(3-Methyl-2-butenoyl) 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056006	15-Isopimarene-8,11,12-triol, 11-Tigloyl 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056007	16-Hydroxy-8(17),13-labdadien-15-oic acid, O-(2-Methylbutanoyl) 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056008	17,19-Kauranediol, 19-Carboxylic acid, 17-(2-methylbutanoyl) 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056009	17,19-Kauranediol, 19-Carboxylic acid, 17-(3-methylbutanoyl) 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056010	2-Heptadecenyl-3-hydroxy-5-(hydroxymethyl)-6-methylbenzoquinone 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056011	24,25-Epoxy-16-scalarene-3,12,25-triol 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056012	3-(4-Hydroxyphenyl)-2-propenoic acid, 16-Hydroxyhexadecyl ester 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056013	3-Heptadecyl-2,5-dihydroxybenzoquinone; 10',11'Z-Didehydro, 5-Et ether 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056014	8(14)-Abietene-6,7,13-triol, 6-(3-Methyl-2-butenoyl) 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056015	8(14)-Abietene-6,7,13-triol, 7-(3-Methyl-2-butenoyl) 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056016	Luffarin I; 17,18-Dihydro 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056017	Luffariolide C 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056018	Neomanoalide, 2,3-Dihydro 	C25H40O4	404.292659	NA	MeJP	NA	NA
+MJ056019	Trixagol; Malonyl, Et ester 	C25H40O4	404.292659	NA	MeJP	NA	NA
+HMDB11555	MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C25H40O4	404.292664	NA	HMDB2010	NA	NA
+HMDB11556	MG(0:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C25H40O4	404.292664	NA	HMDB2010	NA	NA
+HMDB11585	MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0)	C25H40O4	404.292664	NA	HMDB2010	NA	NA
+HMDB11586	MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0)	C25H40O4	404.292664	NA	HMDB2010	NA	NA
+C14624	Androstane-3,17-diol dipropionate	C25H40O4	404.2927	NA	KEGG	NA	NA
+MJ056020	Nexopamil 	C24H40N2O3	404.303893	NA	MeJP	NA	NA
+MJ056021	9,10,12,13-Tetrahydroxydocosanoic acid 	C22H44O6	404.313789	NA	MeJP	NA	NA
+MJ056022	1-(3,4-Dihydroxyphenyl)-5-eicosanone 	C26H44O3	404.329045	NA	MeJP	NA	NA
+MJ056023	2-(4-Hydroxyphenyl)ethanol; 1-O-Octadecanoyl 	C26H44O3	404.329045	NA	MeJP	NA	NA
+MJ056024	2-Hydroxy-6-nonadecyl-1,4-benzoquinone; Me ether 	C26H44O3	404.329045	NA	MeJP	NA	NA
+MJ056025	7,13-Labdadiene-3,15-diol, 15-(3-Methylpentanoyl) 	C26H44O3	404.329045	NA	MeJP	NA	NA
+MJ056026	Capiquinones; Capiquinone C 	C26H44O3	404.329045	NA	MeJP	NA	NA
+MJ056027	Kurcholessine 	C25H44N2O2	404.340278	NA	MeJP	NA	NA
+MJ056028	Malouphyllinine 	C25H44N2O2	404.340278	NA	MeJP	NA	NA
+MJ056029	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,18,22-tetracosanonaene 	C30H44	404.344301	NA	MeJP	NA	NA
+MJ056030	2,6,10,15,19,23-Hexamethyl-2,6,8,10,12,14,16,18,22-tetracosanonaene 	C30H44	404.344301	NA	MeJP	NA	NA
+C05424	5alpha-Cholestan-5alpha,6beta-diol	C27H48O2	404.3654	NA	KEGG	NA	NA
+C05452	3alpha,7alpha-Dihydroxy-5beta-cholestane	C27H48O2	404.3654	NA	KEGG	NA	NA
+HMDB06893	3a,7a-Dihydroxy-5b-cholestane	C27H48O2	404.365417	NA	HMDB2010	NA	NA
+HMDB06893	3alpha,7alpha-Dihydroxy-5beta-cholestane	C27H48O2	404.36542	http://www.hmdb.ca/metabolites/HMDB06893	HMDB	NA	NA
+HMDB06893	3alpha,7alpha-Dihydroxy-5beta-cholestane	C27H48O2	404.36542	HMDB06893	PFEM_hmdb_metabocards_official	NA	NA
+MJ056031	5,9,20-Heptacosatrienoic acid 	C27H48O2	404.36543	NA	MeJP	NA	NA
+MJ056032	5-Heneicosyl-1,3-benzenediol 	C27H48O2	404.36543	NA	MeJP	NA	NA
+MJ056033	Amphimic acid C 	C27H48O2	404.36543	NA	MeJP	NA	NA
+MJ056034	Cholestane-3,21-diol 	C27H48O2	404.36543	NA	MeJP	NA	NA
+MJ056035	Lepidiumterpenoid 	C27H48O2	404.36543	NA	MeJP	NA	NA
+MJ056036	3alpha,7alpha-Dihydroxy-5beta-cholestane 	C27H48O2	404.36543	NA	MeJP	NA	NA
+MetaCyc03407	(22&alpha;)-hydroxy-cholestanol [22-OH-cholestanol;22-OH-CHN;]	C27H48O2	404.365431	NA	metacyc	NA	NA
+MJ056037	1,20-Nonacosadiene 	C29H56	404.438201	NA	MeJP	NA	NA
+MJ056038	7,11-Nonacosadiene 	C29H56	404.438201	NA	MeJP	NA	NA
+8152	peptide derived from ovine aS2-casein (203û208)	PYVRYL	404.7155	MH2+	Inhouse_peptide	NA	peptide
+8178	peptide derived from ovine aS2-casein (203û208)	PYVRYL	404.7155	MH2+	Inhouse_peptide	NA	peptide
+8262	f(203-208) of ovine alpha s2-casein	PYVRYL	404.7155	MH2+	Inhouse_peptide	NA	peptide
+MJ056039	3-(3,5-Dibromo-4-hydroxyphenyl)-2-propenoic acid, 4-O-(3-Dimethylaminopropyl) 	C14H17Br2NO3	404.957518	NA	MeJP	NA	NA
+MJ056040	Paraflutizide 	C14H13ClFN3O4S2	405.002003	NA	MeJP	NA	NA
+C08118	Ceftizoxime sodium	C13H12N5O5S2	405.0178	NA	KEGG	NA	NA
+C08119	Transferred to D00924	C13H12N5O5S2	405.0178	NA	KEGG	NA	NA
+C08120	Transferred to D00925	C13H12N5O5S2	405.0178	NA	KEGG	NA	NA
+C08121	Transferred to D00926	C13H12N5O5S2	405.0178	NA	KEGG	NA	NA
+MJ056041	(1,2-Cyclohexanediamine)sulfatoplatinum(II) 	C6H14N2O4PtS	405.032202	NA	MeJP	NA	NA
+MJ056042	Dysidamide C; N-(4,4-Dichloro-3-methylbutanoyl) 	C15H23Cl4NO3	405.043204	NA	MeJP	NA	NA
+C08406	Glucocleomin	C12H23NO10S2	405.0763	NA	KEGG	NA	NA
+MJ056043	2-Hydroxy-2-methylbutyl glucosinolate 	C12H23NO10S2	405.076337	NA	MeJP	NA	NA
+MJ056044	2-Hydroxypentyl glucosinolate 	C12H23NO10S2	405.076337	NA	MeJP	NA	NA
+MJ056045	Benzopyrronium(1+), Bromide 	C20H24BrNO3	405.093956	NA	MeJP	NA	NA
+MJ056046	Cefaloglycin 	C18H19N3O6S	405.099456	NA	MeJP	NA	NA
+C13440	Cefaloglycin	C18H19N3O6S	405.0995	NA	KEGG	NA	NA
+MJ056047	Cromitrile 	C20H15N5O5	405.107318	NA	MeJP	NA	NA
+MJ056048	5-Chloro-2-[3-(4-methoxyphenyl)-2-(2-pyridinyl)-1-pyrrolidinyl]benzoxazole 	C23H20ClN3O2	405.124404	NA	MeJP	NA	NA
+3351	Stimulating vasoactive substance release	EEE	405.126	celiac toxic	Inhouse_peptide	NA	peptide
+MJ056049	Morclofone 	C21H24ClNO5	405.1343	NA	MeJP	NA	NA
+MJ056050	Oxetacillin 	C19H23N3O5S	405.135841	NA	MeJP	NA	NA
+PJ000964	EEE 	C15H23N3O10	405.1384	NA	PeJP	NA	NA
+MJ056051	4-Hydroxyphenylacetic acid; Nitrile, O-(tri-O-acetyl-?-L-rhamnopyranoside) 	C20H23NO8	405.142366	NA	MeJP	NA	NA
+MJ056052	Mazaticol 	C21H27NO3S2	405.143235	NA	MeJP	NA	NA
+MJ056053	Isonaamidine A 	C21H19N5O4	405.143704	NA	MeJP	NA	NA
+PJ000965	CHF 	C18H23N5O4S	405.1471	NA	PeJP	NA	NA
+PJ000966	GSNE 	C14H23N5O9	405.1496	NA	PeJP	NA	NA
+MJ056054	Diplamine; N-De-Ac, N-(3-methylbutanoyl) 	C23H23N3O2S	405.151097	NA	MeJP	NA	NA
+8225	antioxidative peptide	SWN	405.1539	NA  ;SYN:(-)-a-Amino-p-hydroxyhydrocinnamate; (-)-a-Amino-p-hydroxyhydrocinnamic acid; (-)-alpha-Amino-p-hydroxyhydrocinnamate; (-)-alpha-Amino-p-hydroxyhydrocinnamic acid; (S)-(-)-Tyrosine; (S)-2-Amino-3-(p-hydroxyphenyl)propionate; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; (S)-3-(p-Hydroxyphenyl)alanine; (S)-Tyrosine; (S)-a-Amino-4-hydroxybenzenepropanoate; (S)-a-Amino-4-hydroxybenzenepropanoic acid; (S)-a-amino-4-hydroxy-Benzenepropanoate; (S)-a-amino-4-hydroxy-Benzenepropanoic acid; (S)-alpha-amino-4-hydroxy-Benzenepropanoate; (S)-alpha-amino-4-hydroxy-Benzenepropanoic acid; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate; 2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid; 3-(4-Hydroxyphenyl)-L-alanine; 4-hydroxy-L-Phenylalanine; Benzenepropanoate; Benzenepropanoic acid; L-p-Tyrosine; L-tyrosine; Tyr; Tyrosine; p-Tyrosine; (S)-alpha-Amino-4-hydroxybenzenepropanoate; (S)-alpha-Amino-4-hydroxybenzenepropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+C12200	(+/-)-6-Acetonyldihydrochelerythrine	C24H23NO5	405.1576	NA	KEGG	NA	NA
+MJ056055	8-(4-Hydroxybenzyl)-3-methoxy-2,9,10-berbintriol; 9-Deoxy, 11-hydroxy, O-de-Me 	C24H23NO5	405.157622	NA	MeJP	NA	NA
+MJ056056	8-Acetonyldihydrochelerythrine 	C24H23NO5	405.157622	NA	MeJP	NA	NA
+MJ056057	8-Acetonyldihydronitidine 	C24H23NO5	405.157622	NA	MeJP	NA	NA
+PJ000967	SNW 	C18H23N5O6	405.1648	NA	PeJP	NA	NA
+MJ056058	Roseoflavin 	C18H23N5O6	405.164833	NA	MeJP	NA	NA
+PJ000968	GGSW 	C18H23N5O6	405.1649	NA	PeJP	NA	NA
+PJ000969	QQM 	C15H27N5O6S	405.1682	NA	PeJP	NA	NA
+MJ056059	Nebivolol 	C22H25F2NO4	405.175164	NA	MeJP	NA	NA
+MJ056060	Cytomycin 	C17H23N7O5	405.176066	NA	MeJP	NA	NA
+C01567	Cytomycin	C17H23N7O5	405.1761	NA	KEGG	NA	NA
+C01568	D-Agatose	C17H23N7O5	405.1761	NA	KEGG	NA	NA
+MJ056061	Clivorine 	C21H27NO7	405.178752	NA	MeJP	NA	NA
+C10282	Clivoline	C21H27NO7	405.1788	NA	KEGG	NA	NA
+PJ000970	CQR 	C14H27N7O5S	405.1795	NA	PeJP	NA	NA
+C06917	Clomiphene	C26H28ClNO	405.1859	NA	KEGG	NA	NA
+C08166	Toremifene	C26H28ClNO	405.1859	NA	KEGG	NA	NA
+C08167	Transferred to D00967	C26H28ClNO	405.1859	NA	KEGG	NA	NA
+C08168	Transferred to D00968	C26H28ClNO	405.1859	NA	KEGG	NA	NA
+MJ056062	Clomifene 	C26H28ClNO	405.185942	NA	MeJP	NA	NA
+MJ056063	Toremifene 	C26H28ClNO	405.185942	NA	MeJP	NA	NA
+PJ000971	GSDK 	C15H27N5O8	405.186	NA	PeJP	NA	NA
+MJ056064	Febarbamate 	C20H27N3O6	405.189985	NA	MeJP	NA	NA
+MJ056065	Imidaprilat; 1'-Et ester 	C20H27N3O6	405.189985	NA	MeJP	NA	NA
+C06449	Myxochlin B	C20H27N3O6	405.19	NA	KEGG	NA	NA
+MJ056066	3,4-Dihydro-5-(4-hydroxy-5-methoxy-2-methyl-1-naphthalenyl)-8-hydroxy-6-methoxy-1,3-dimethylisoquinoline; 4'-Me ether 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+MJ056067	3,4-Dihydro-5-(4-hydroxy-5-methoxy-2-methyl-1-naphthalenyl)-8-hydroxy-6-methoxy-1,3-dimethylisoquinoline; 8-Me ether 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+MJ056068	Ancistrobrevine C 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+MJ056069	Ancistrocladine; 1,2-Didehydro 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+MJ056070	Ancistrocladine; Atropisomer, 1,2-didehydro 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+MJ056071	Ancistrocladisine; O6-De-Me 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+MJ056072	Ancistrotectorine; N-De-Me, 1,2-didehydro 	C25H27NO4	405.194008	NA	MeJP	NA	NA
+PJ000972	GSSR 	C14H27N7O7	405.1972	NA	PeJP	NA	NA
+MJ056073	Gerambullin 	C22H31NO4S	405.197379	NA	MeJP	NA	NA
+3301	NA	HLH	405.2	celiac toxic	Inhouse_peptide	NA	peptide
+3302	NA	LHH	405.2	celiac toxic	Inhouse_peptide	NA	peptide
+7478	ACE inhibitor	HHL	405.2	antioxidative	Inhouse_peptide	NA	peptide
+7909	synthetic peptide	IHH	405.2	antioxidative	Inhouse_peptide	NA	peptide
+7984	synthetic peptide	HIH	405.2	hypotensive	Inhouse_peptide	NA	peptide
+MJ056074	Nifekalant 	C19H27N5O5	405.201218	NA	MeJP	NA	NA
+PJ000973	QKM 	C16H31N5O5S	405.2046	NA	PeJP	NA	NA
+MJ056075	Isoechinulin A; 3e,3h-Didehydro, 5b,5c-epoxide 	C24H27N3O3	405.205241	NA	MeJP	NA	NA
+MJ056076	Trequinsin 	C24H27N3O3	405.205241	NA	MeJP	NA	NA
+MJ056077	Halichlorine 	C23H32ClNO3	405.207071	NA	MeJP	NA	NA
+PJ000974	LHH 	C18H27N7O4	405.2125	NA	PeJP	NA	NA
+MJ056078	Lorpiprazole 	C21H26F3N5	405.21403	NA	MeJP	NA	NA
+C08690	Icacine	C22H31NO6	405.2151	NA	KEGG	NA	NA
+MJ056079	Akirine 	C22H31NO6	405.215137	NA	MeJP	NA	NA
+MJ056080	Icacine 	C22H31NO6	405.215137	NA	MeJP	NA	NA
+MJ056081	Kiridine 	C22H31NO6	405.215137	NA	MeJP	NA	NA
+MJ056082	Tuberostemoninol 	C22H31NO6	405.215137	NA	MeJP	NA	NA
+MJ056083	Tuberostemonone 	C22H31NO6	405.215137	NA	MeJP	NA	NA
+PJ000975	CKR 	C15H31N7O4S	405.2158	NA	PeJP	NA	NA
+MJ056084	Terbogrel 	C23H27N5O2	405.216475	NA	MeJP	NA	NA
+PJ000976	GTTK 	C16H31N5O7	405.2224	NA	PeJP	NA	NA
+MJ056085	Cinpropazide 	C21H31N3O5	405.226371	NA	MeJP	NA	NA
+MJ056086	Lisinopril 	C21H31N3O5	405.226371	NA	MeJP	NA	NA
+HMDB01938	Lisinopril	C21H31N3O5	405.226379	NA	HMDB2010	NA	NA
+HMDB01938	Lisinopril	C21H31N3O5	405.22638	http://www.hmdb.ca/metabolites/HMDB01938	HMDB	NA	NA
+HMDB01938	Lisinopril	C21H31N3O5	405.22638	HMDB01938	PFEM_hmdb_metabocards_official	NA	NA
+C02825	Cypridina luciferin	C22H27N7O	405.2277	NA	KEGG	NA	NA
+MetaCyc03408	cypridina luciferin []	C22H27N7O1	405.227709	NA	metacyc	NA	NA
+MJ056087	2-Methyl-3-oxo-2-azabicyclo[2.2.2]oct-6-yl ?-methyl[1,1'-biphenyl]-4-pentanoate 	C26H31NO3	405.230393	NA	MeJP	NA	NA
+MJ056088	Lavanduquinocin 	C26H31NO3	405.230393	NA	MeJP	NA	NA
+MJ056089	Spongidine D 	C23H36NO3S(+)	405.233764	NA	MeJP	NA	NA
+PJ000977	KKM 	C17H35N5O4S	405.241	NA	PeJP	NA	NA
+MJ056090	Befiperide 	C25H31N3O2	405.241627	NA	MeJP	NA	NA
+MJ056091	Celacinnine 	C25H31N3O2	405.241627	NA	MeJP	NA	NA
+MJ056092	Maytenine 	C25H31N3O2	405.241627	NA	MeJP	NA	NA
+MJ056093	Periphylline; 2,3-Dihydro 	C25H31N3O2	405.241627	NA	MeJP	NA	NA
+C13788	UCL 1608	C30H31N	405.2457	NA	KEGG	NA	NA
+C13789	Trichomycin	C58H82N2O17	405.2457	NA	KEGG	NA	NA
+MJ056094	Acoseptrine; 8,10-Dideoxy, 6-ketone 	C23H35NO5	405.251523	NA	MeJP	NA	NA
+MJ056095	Karakoline; O16-De-Me, O16-Ac 	C23H35NO5	405.251523	NA	MeJP	NA	NA
+MJ056096	Leuconine 	C23H35NO5	405.251523	NA	MeJP	NA	NA
+MJ056097	Nevadensine; 7-Deoxy 	C23H35NO5	405.251523	NA	MeJP	NA	NA
+MJ056098	Pentagydine; 7-Deoxy, 6?-methoxy 	C23H35NO5	405.251523	NA	MeJP	NA	NA
+C17708	Fortimicin A	C17H35N5O6	405.2587	NA	KEGG	NA	NA
+MJ056099	Fortimicin A 	C17H35N5O6	405.258733	NA	MeJP	NA	NA
+MJ056100	Fortimicin KO1; N2'-Aminoacetyl 	C17H35N5O6	405.258733	NA	MeJP	NA	NA
+C08670	Cassaine	C24H39NO4	405.2879	NA	KEGG	NA	NA
+MJ056101	16-Isocyano-4,6,8,10-tetramethoxy-11,13-dimethyl-1,11,13,15-heptadecatetraene 	C24H39NO4	405.287908	NA	MeJP	NA	NA
+MJ056102	16-Isocyano-4,6,8,10-tetramethoxy-13-methyl-11-methylene-1,12,15-heptadecatriene 	C24H39NO4	405.287908	NA	MeJP	NA	NA
+MJ056103	Cassaine 	C24H39NO4	405.287908	NA	MeJP	NA	NA
+MJ056104	Karakoline; O1,O8-Di-Me 	C24H39NO4	405.287908	NA	MeJP	NA	NA
+MJ056105	Karakoline; O8,O14-Di-Me 	C24H39NO4	405.287908	NA	MeJP	NA	NA
+MJ056106	24,25-Dehydro-10,11-dihydroaflavinine 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056107	Aflavinine 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056108	Emeniveol 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056109	Emindole SB 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056110	Nominine 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056111	Petromindole 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056112	Radarin B; 6-Deoxy, 7'-ketone 	C28H39NO	405.303164	NA	MeJP	NA	NA
+MJ056113	Minaxolone 	C25H43NO3	405.324294	NA	MeJP	NA	NA
+MJ056114	Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-eicosyl-1H-pyrrole-2-carboxylate 	C26H47NO2	405.360679	NA	MeJP	NA	NA
+MJ056115	Hispidospermidin 	C25H47N3O	405.371913	NA	MeJP	NA	NA
+C18111	1,2,3,4,6,7,8-Heptachlorodibenzofuran	C12HCl7O	405.7847	NA	KEGG	NA	NA
+C18112	1,2,3,4,7,8,9-Heptachlorodibenzofuran	C12HCl7O	405.7847	NA	KEGG	NA	NA
+C14176	Chlordane	C10H6Cl8	405.7978	NA	KEGG	NA	NA
+MJ056116	1,6,8-Tribromo-2-chloro-3(8)-ochtodene 	C10H14Br3Cl	405.833416	NA	MeJP	NA	NA
+MJ056117	Ethylenediaminetetraacetic acid; Di-Co salt 	C10H12Co2N2O8	405.925765	NA	MeJP	NA	NA
+MJ056118	8-Bromo-2-(3-bromo-1,2-propadienyl)-6,9-epoxy-5-ethyldecahydrofuro[3,2-b]oxonin 	C15H20Br2O3	405.977919	NA	MeJP	NA	NA
+MJ056119	Diclazuril 	C17H9Cl3N4O2	405.979108	NA	MeJP	NA	NA
+MJ056120	16,16-Dibromo-15-hexadecen-5-ynoic acid 	C16H24Br2O2	406.014305	NA	MeJP	NA	NA
+MJ056121	Molokaiamine; N2',N2',N3'',N3''-Tetra-Me 	C15H24Br2N2O	406.025538	NA	MeJP	NA	NA
+MJ056122	2-Hydroxy-3-(sulfooxy)propyl-5-deoxy-5-(trimethylarsonio)-?-D-ribofuranoside 	C11H23AsO9S	406.027874	NA	MeJP	NA	NA
+CJpos0786	Citric acid [2M+Na]+	C12H16O14Na	406.035375	C18rt(min)=1.09 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0786	Citric acid [2M+Na]+	C12H16O14Na	406.035375	C18rt(min)=1.09 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ056123	Topsentin A; 7-Bromo, 13,14-dihydro 	C20H15BrN4O	406.042923	NA	MeJP	NA	NA
+MJ056124	Cyclographin 	C19H15ClO8	406.045545	NA	MeJP	NA	NA
+MJ056125	Virensic acid; 2-Chloro, Me ester 	C19H15ClO8	406.045545	NA	MeJP	NA	NA
+MJ056126	Carpetimycin A; S-Deoxy, O-sulfate 	C14H18N2O8S2	406.050456	NA	MeJP	NA	NA
+MJ056127	Thienamycin; 6,8-Diepimer, 1',2'-didehydro, N-propanoyl, O-sulfate 	C14H18N2O8S2	406.050456	NA	MeJP	NA	NA
+C16411	4,4',6,6'-Tetranitro-2,2'-azoxytoluene	C14H10N6O9	406.0509	NA	KEGG	NA	NA
+C16412	2,4',6,6'-Tetranitro-2',4-azoxytoluene	C14H10N6O9	406.0509	NA	KEGG	NA	NA
+C16413	2,2',6,6'-Tetranitro-4,4'-azoxytoluene	C14H10N6O9	406.0509	NA	KEGG	NA	NA
+MJ056128	Trifuhalol A; 4-Hydroxy 	C18H14O11	406.053611	NA	MeJP	NA	NA
+MJ056129	Trifuhalol B; 5'-Hydroxy 	C18H14O11	406.053611	NA	MeJP	NA	NA
+MJ056130	1-O-p-Coumaroylglucose; ?-D-form, 2-O-Sulfate 	C15H18O11S	406.056982	NA	MeJP	NA	NA
+MJ056131	1-O-p-Coumaroylglucose; ?-D-form, 3-O-Sulfate 	C15H18O11S	406.056982	NA	MeJP	NA	NA
+MJ056132	1-O-p-Coumaroylglucose; ?-D-form, 6-O-Sulfate 	C15H18O11S	406.056982	NA	MeJP	NA	NA
+MJ056133	Eucleolatin 	C22H14O8	406.068867	NA	MeJP	NA	NA
+MJ056134	Pterygospermine 	C22H18N2O2S2	406.080969	NA	MeJP	NA	NA
+MJ056135	7-Chloro-3,4',5,6,8-pentahydroxyflavone; Penta-Me ether 	C20H19ClO7	406.08193	NA	MeJP	NA	NA
+MJ056136	Hypoprotocetraric acid; 2-Chloro, 3-Me ether, Me ester 	C20H19ClO7	406.08193	NA	MeJP	NA	NA
+MJ056137	Nephroarctin; 4'-Chloro 	C20H19ClO7	406.08193	NA	MeJP	NA	NA
+MJ056138	Psorospermindiol; 5'-Chloro, O5-Me 	C20H19ClO7	406.08193	NA	MeJP	NA	NA
+FL5FGGNS0002	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone	C19H18O10	406.08999	78516-78-6	knapsack	NA	NA
+FL5FGGNS0003	5,7,3',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone	C19H18O10	406.08999	102673-82-5	knapsack	NA	NA
+FL5FGGNS0004	5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone	C19H18O10	406.08999	102673-78-9	knapsack	NA	NA
+FL5FGLNS0005	5,7,4',5'-Tetrahydroxy-3,6,8,2'-tetramethoxyflavone	C19H18O10	406.08999	113744-06-2	knapsack	NA	NA
+FL5FGLNS0006	5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone	C19H18O10	406.08999	99816-57-6	knapsack	NA	NA
+FL5FGLNS0007	5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone	C19H18O10	406.08999	96887-21-7	knapsack	NA	NA
+MJ056139	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-?-D-xylopyranoside 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056140	1,3,6,7-Tetrahydroxyxanthone; 1-O-(6-Deoxy-?-D-glucopyranoside) 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056141	1,3,7-Trihydroxyxanthone; 3-O-?-D-Glucopyranoside 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056142	1,5,6-Trihydroxyxanthone; 6-O-?-D-Glucopyranoside 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056143	1-Glucosyl-3,6,8-trihydroxyxanthone 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056144	2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,6,8-Tetra-Me ether 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056145	2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,8-Tetra-Me ether 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056146	2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,5',6,8-Tetra-Me ether 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056147	2-Glucosyl-1,3,7-trihydroxyxanthone 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056148	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,8-Tetra-Me ether 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056149	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',7,8-Tetra-Me ether 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056150	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,5',6,8-Tetra-Me ether 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056151	Hypothamnolic acid 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056152	Lancerin 	C19H18O10	406.089996	NA	MeJP	NA	NA
+MJ056153	Prunastric acid 	C19H18O10	406.089996	NA	MeJP	NA	NA
+C10075	Lancerin	C19H18O10	406.09	NA	KEGG	NA	NA
+MJ056154	Melithiazoles; Melithiazole B, O5-De-Me 	C19H22N2O4S2	406.102098	NA	MeJP	NA	NA
+FL3FA9NC0002	Hoslundin	C23H18O7	406.10525	135404-51-2	knapsack	NA	NA
+FLIFWYNF0001	Rotenonone	C23H18O7	406.10525	4436-62-7	knapsack	NA	NA
+MJ056155	4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3'-Hydroxy, 4'-Me ether 	C23H18O7	406.105252	NA	MeJP	NA	NA
+MJ056156	Antibiotic SS 43405D 	C23H18O7	406.105252	NA	MeJP	NA	NA
+MJ056157	Daphnodorin L 	C23H18O7	406.105252	NA	MeJP	NA	NA
+MJ056158	Dehydrorotenone, 12-Oxo 	C23H18O7	406.105252	NA	MeJP	NA	NA
+MJ056159	Hoslundin 	C23H18O7	406.105252	NA	MeJP	NA	NA
+MJ056160	Melatinone 	C23H18O7	406.105252	NA	MeJP	NA	NA
+MJ056161	Toddacoumaquinone 	C23H18O7	406.105252	NA	MeJP	NA	NA
+C10525	Rotenonone	C23H18O7	406.1053	NA	KEGG	NA	NA
+MJ056162	Strictoloside 	C16H22O12	406.111126	NA	MeJP	NA	NA
+MJ056163	1,2,3,4,7,8-Hexahydro-6-(4-hydroxyphenyl)-8-(2,3,4,5-tetrahydroxypentyl)-2,4,7-pteridinetrione; D-ribo-form 	C17H18N4O8	406.112463	NA	MeJP	NA	NA
+C13836	CGS 7181	C20H17F3N2O4	406.114	NA	KEGG	NA	NA
+MJ056164	Floctafenine 	C20H17F3N2O4	406.114041	NA	MeJP	NA	NA
+MJ056165	Puupehenone; 21-Bromo 	C21H27BrO3	406.114357	NA	MeJP	NA	NA
+C14647	Braxoron	C21H27BrO3	406.1144	NA	KEGG	NA	NA
+C11561	2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-	C22H19ClN4O2	406.1197	NA	KEGG	NA	NA
+MJ056166	Penamecillin 	C19H22N2O6S	406.119857	NA	MeJP	NA	NA
+FL631CGS0001	Anadanthoside;Fisetinidol 3-beta-D-xylopyranoside	C20H22O9	406.12638	239125-76-9	knapsack	NA	NA
+FL63AAGS0001	Arthromerin A	C20H22O9	406.12638	143458-89-3	knapsack	NA	NA
+FL63AAGS0007	Afzelechin 7-O-beta-D-apiofuranoside	C20H22O9	406.12638	114590-44-2	knapsack	NA	NA
+FL6FACGS0001	Viscutin 3	C20H22O9	406.12638	108403-45-8	knapsack	NA	NA
+MJ056167	1,2-Bis(3,4-dihydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056168	1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056169	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3''-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056170	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056171	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3''-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056172	1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056173	1-(4-Hydroxyphenyl)-2-(2,4,6-trihydroxyphenyl)ethylene, 2-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056174	10-Hydroxyloganic acid; Aglycone, 10-O-(3,4-dihydroxycinnamoyl)(E-), Me ester 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056175	2,5-Dihydroxybenzoic acid; Benzyl ester, 2-O-?-D-glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056176	2,5-Dihydroxybenzyl alcohol; 1'-O-Benzoyl, 2-O-?-D-glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056177	2,5-Dihydroxybenzyl alcohol; 2-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056178	2,5-Dihydroxybenzyl alcohol; 5-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056179	3',4',5,7-Tetrahydroxyflavan, 5-O-?-Xylopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056180	3,3',4',7-Tetrahydroxyflavan, 3-O-?-D-Xylopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056181	3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Xylopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056182	3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Xylopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056183	3,4',5,7-Tetrahydroxyflavan, 7-O-?-D-Apiofuranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056184	3,4-Dihydroxybenzyl alcohol; 4-O-(6-O-Benzoyl-?-D-allopyranoside) 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056185	3,4-Dihydroxybenzyl alcohol; 4-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056186	7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one; 2'-Ketone, 7-O-?-D-glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056187	Apiumetin, O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056188	Dihydroxythujaplicatin 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056189	Eleutherol, 4-Me ether, 5-O-de-Me, 5-O-?-D-glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056190	Eleutherol, 4-O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056191	Flacourtin 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056192	Olivin 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056193	Oroselol; O-?-D-Glucopyranoside 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056194	Saudinolide; 2,3-Dihydro, 2?-hydroxy 	C20H22O9	406.126382	NA	MeJP	NA	NA
+MJ056195	Symplocarposide 	C20H22O9	406.126382	NA	MeJP	NA	NA
+C10245	Astringin	C20H22O9	406.1264	NA	KEGG	NA	NA
+C10835	Trichocarpin	C20H22O9	406.1264	NA	KEGG	NA	NA
+PJ000978	GCNN 	C13H22N6O7S	406.1271	NA	PeJP	NA	NA
+PJ000979	GSDE 	C14H22N4O10	406.1336	NA	PeJP	NA	NA
+PJ000980	GPCM 	C15H26N4O5S2	406.1345	NA	PeJP	NA	NA
+MJ056196	Candidusin A; 1-Demethoxy, 2-hydroxy, 8-O-(3-methyl-2-butenyl) 	C24H22O6	406.141638	NA	MeJP	NA	NA
+MJ056197	Lemuninol B 	C24H22O6	406.141638	NA	MeJP	NA	NA
+MJ056198	Oxymitrone; 9a-Me ether 	C24H22O6	406.141638	NA	MeJP	NA	NA
+MJ056199	Rubiginone A1; 1-Ketone, 4-O-(2-methylpropanoyl) 	C24H22O6	406.141638	NA	MeJP	NA	NA
+C09784	Ipolamiide	C17H26O11	406.1475	NA	KEGG	NA	NA
+C11659	10-Hydroxyloganin	C17H26O11	406.1475	NA	KEGG	NA	NA
+C17000	Morroniside	C17H26O11	406.1475	NA	KEGG	NA	NA
+MJ056200	5-Hydroxysecologanol 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056201	6-Hydroxyloganin; 5,6,8-Triepimer 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056202	6-Hydroxyloganin; 7-Epimer 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056203	Adoxosidic acid; 5-Epimer, 6?-hydroxy, Me ester 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056204	Adoxosidic acid; 6?-Hydroxy, Me ester 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056205	Caryoptosidic acid; Me ester 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056206	Harpagide; 6-Epimer, 8-Ac 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056207	Harpagide; 8-Ac 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056208	Hastatoside; 8-Epimer, 6?-alcohol 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056209	Ipolamiide 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056210	Morofficinaloside 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056211	Morroniside 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056212	Physoside; 8-Ac 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056213	Shanzhiside; Me ester 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056214	Splendoside 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056215	Syringoylglycerol, 2-O-?-D-Glucopyranoside 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056216	Syringoylglycerol, 3-O-?-D-Glucopyranoside 	C17H26O11	406.147511	NA	MeJP	NA	NA
+MJ056217	Syringoylglycerol, 2-O-?-D-Glucopyranoside 	C17H26O11	406.147511	NA	MeJP	NA	NA
+PJ000981	SDW 	C18H22N4O7	406.1489	NA	PeJP	NA	NA
+PJ000982	QEM 	C15H26N4O7S	406.1522	NA	PeJP	NA	NA
+MJ056218	Osaterone; Ac 	C22H27ClO5	406.154701	NA	MeJP	NA	NA
+MJ056219	Alacepril 	C20H26N2O5S	406.156242	NA	MeJP	NA	NA
+7919	synthetic peptide	NHH	406.1589	antioxidative	Inhouse_peptide	NA	peptide
+MJ056220	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 3-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056221	1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056222	1,10-Epoxy-8,14,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056223	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056224	1,3,9-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide, Tri-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056225	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056226	1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056227	1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3-Me ether, 5-O-?-D-glucopyranoside 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056228	1-(3-Methoxy-4,5-methylenedioxyphenyl)-1,2-propanediol, 1-Angeloyl, 2-O-(2,3-epoxy-2-methylbutanoyl) 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056229	2,4,8,13-Tetrahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 2-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056230	2,5-Bis(3,4,5-trimethoxyphenyl)-1,3-dioxolane 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056231	2,6,10,13-Tetrahydroxy-3,7(11),8-germacratrien-12,8-olide, 6-(2-Methylpropenoyl), 2-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056232	2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, Tri-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056233	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 1-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056234	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione, 16-Hydroxy, 3-formyl 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056235	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), Me ester 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056236	4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056237	4,5-Epoxy-8,13-dihydroxy-14-oxo-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056238	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl, Me ester 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056239	4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056240	5,10-Epoxy-8-hydroxy-3,11(13)-germacradien-12,6-olid-15-oic acid, Me ester, 8-O-(2,3-epoxy-2-methylbutanoyl)(R,R-) 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056241	5,10-Epoxy-8-hydroxy-3,11(13)-germacradien-12,6-olid-15-oic acid, Me ester, 8-O-(2,3-epoxy-2-methylbutanoyl)(S,S-) 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056242	5,10-Epoxy-8-hydroxy-3,11(13)-germacradien-12,6-olid-15-oic acid, Me ester, 8-O-(2-hydroxy-2-methyl-3-butenoyl) 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056243	6-Methoxy-1',2'-epoxycasegravol; 4'-O-(3-Methylbutanoyl) 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056244	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056245	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 9-(2-Methylpropenoyl), 8-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056246	8,9,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056247	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056248	Havellockic acid; Me ester 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056249	Icariol A1 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056250	Lanugone R; 15,16-Dihydro, 15?-hydroxy 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056251	Vilmorinine C; Me ester 	C21H26O8	406.162767	NA	MeJP	NA	NA
+MJ056252	Zempoalin D 	C21H26O8	406.162767	NA	MeJP	NA	NA
+PJ000983	CER 	C14H26N6O6S	406.1635	NA	PeJP	NA	NA
+MJ056253	Thaxtomin A; 3,3''-Dideoxy 	C22H22N4O4	406.164105	NA	MeJP	NA	NA
+PJ000984	AMW 	C19H26N4O4S	406.1675	NA	PeJP	NA	NA
+MJ056254	Murrastifoline B 	C27H22N2O2	406.168127	NA	MeJP	NA	NA
+PJ000985	GTTE 	C15H26N4O9	406.17	NA	PeJP	NA	NA
+PJ000986	NHH 	C16H22N8O5	406.1713	NA	PeJP	NA	NA
+3200	chymotrypsin inhibitor	PGAY	406.173	celiac toxic	Inhouse_peptide	NA	peptide
+8087	peptide derived from tuna cooking juice	PAGY	406.173	ACE inhibitor	Inhouse_peptide	NA	peptide
+C06448	Myxochlin A	C20H26N2O7	406.174	NA	KEGG	NA	NA
+MJ056255	Amicoumacin C 	C20H26N2O7	406.174001	NA	MeJP	NA	NA
+C09275	Mammeisin	C25H26O5	406.178	NA	KEGG	NA	NA
+FL1C18NP0001	Flemiwallichin D	C25H26O5	406.17802	96657-91-9	knapsack	NA	NA
+FL1C1AND0002	Paratocarpin F	C25H26O5	406.17802	170662-20-1	knapsack	NA	NA
+FL1C1ANP0009	3,2',4'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4,5]chalcone	C25H26O5	406.17802	151135-83-0	knapsack	NA	NA
+FL1C1ANP0011	Angusticornin A;3,4-(2,2-Dimethylpyrano)-3'-(2-hydroxy-3-methylbut-3-enyl)-2',4'-dihydroxychalcone	C25H26O5	406.17802	851771-47-6	knapsack	NA	NA
+FL1C1LNP0001	2,4,2'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4',5']chalcone	C25H26O5	406.17802	50773-29-0	knapsack	NA	NA
+FL1C28NP0001	Flemingin A	C25H26O5	406.17802	18296-58-7	knapsack	NA	NA
+FL1C29NP0002	Flemiwallichin F	C25H26O5	406.17802	96657-93-1	knapsack	NA	NA
+FL1C2ANP0001	Flemingin D	C25H26O5	406.17802	50886-60-7	knapsack	NA	NA
+FL1CAANP0001	Sericone	C25H26O5	406.17802	71385-96-1	knapsack	NA	NA
+FL1CAANP0005	Xanthohumol E;3'-Prenyl-6'',6''-dimethylpyrano[2'',3'':6',5']-4,2',4'-trihydroxychalcone	C25H26O5	406.17802	274675-26-2	knapsack	NA	NA
+FL1CHYNP0004	Glyinflanin C	C25H26O5	406.17802	142750-24-1	knapsack	NA	NA
+FL1CHYNP0009	Glycyrdione B	C25H26O5	406.17802	142542-84-5	knapsack	NA	NA
+FL2FA8NP0001	Minimiflorin	C25H26O5	406.17802	98621-33-1	knapsack	NA	NA
+FL2FAANP0001	Cajaflavanone	C25H26O5	406.17802	68236-12-4	knapsack	NA	NA
+FL2FAANP0002	Lupinifolin	C25H26O5	406.17802	55890-27-2	knapsack	NA	NA
+FL2FAANP0005	Euchrenone a2	C25H26O5	406.17802	116310-62-4	knapsack	NA	NA
+FL2FAANP0010	Paratocarpin H;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone	C25H26O5	406.17802	170662-22-3	knapsack	NA	NA
+FL2FAANP0011	Paratocarpin I;5,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O5	406.17802	170662-23-4	knapsack	NA	NA
+FL2FAANP0012	Cycloaltilisin 7;5,4'-Dihydroxy-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone	C25H26O5	406.17802	432041-07-1	knapsack	NA	NA
+FL3F1LNI0001	Rubraflavone A	C25H26O5	406.17802	54510-13-3	knapsack	NA	NA
+FL3FAANI0001	Gancaonin Q	C25H26O5	406.17802	134958-52-4	knapsack	NA	NA
+FL3FAANI0002	Honyucitrin	C25H26O5	406.17802	114542-44-8	knapsack	NA	NA
+FL3FAANI0003	Kuwanone S;Kuwanon S; 2-[3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one;2-[3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C25H26O5	406.17802	100187-67-5	knapsack	NA	NA
+FL4D1ANP0001	Kanzonol Z;3,4'-Dihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone	C25H26O5	406.17802	220860-37-7	knapsack	NA	NA
+FL4DA9NP0001	Mundulinol	C25H26O5	406.17802	71385-95-0	knapsack	NA	NA
+FLIAAANI0003	Lupalbigenin;5,7,4'-Trihydroxy-6,3'-diprenylisoflavone	C25H26O5	406.17802	76754-24-0	knapsack	NA	NA
+FLIAAANI0004	6,8-Diprenylgenistein	C25H26O5	406.17802	51225-28-6	knapsack	NA	NA
+FLIAAANI0007	3',5'-Diprenylgenistein;5,7,4'-Trihydroxy-3',5'-diprenylisoflavone	C25H26O5	406.17802	104055-80-3	knapsack	NA	NA
+FLNAA9NI0001	Mammeisin;Mammea A/AA;5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin	C25H26O5	406.17802	18483-64-2	knapsack	NA	NA
+FLNAA9NI0003	5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin	C25H26O5	406.17802	30390-12-6	knapsack	NA	NA
+FLNAA9NI0005	5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin;Mammea A/BA	C25H26O5	406.17802	5224-54-4	knapsack	NA	NA
+FLNAA9NI0006	5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylbutyryl)-4-phenylcoumarin;Mammea A/BB	C25H26O5	406.17802	6916-62-7	knapsack	NA	NA
+MJ056256	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2,7-Dimethyl-2,6-octadienyl) 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056257	1-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056258	2,3-Dihydro-7-hydroxy-2-(7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8-(3-methyl-7-butenyl)-4H-1-benzopyran-4-one 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056259	2-(2,4-Dihydroxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-8H-pyrano[2,3-d]chroman-4-one 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056260	2-Geranyl-1,3,8-trihydroxy-6-methylanthraquinone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056261	3',4',7-Trihydroxyisoflavone; 7-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056262	3-(2,4-Dihydroxyphenyl)-1-[7-hydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-propen-1-one 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056263	4',5,7-Trihydroxy-3',5'-diprenylflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056264	4',5,7-Trihydroxy-3',5'-diprenylisoflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056265	4',5,7-Trihydroxy-3',6-diprenylflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056266	4',5,7-Trihydroxy-3',6-diprenylisoflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056267	4',5,7-Trihydroxy-3',8-diprenylisoflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056268	4',5,7-Trihydroxy-6,8-diprenylisoflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056269	8-(2,4-Dihydroxyphenyl)-7,8-dihydro-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056270	8-(3,7-Dimethyl-2,6-octadienyl)-4',5,7-trihydroxyisoflavone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056271	Albanin D 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056272	Bidwillon B 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056273	Cajaflavanone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056274	Coleophomone A 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056275	Coleophomone B 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056276	Cudraflavanone A, 2'-Deoxy 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056277	Cycloisoemericellin 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056278	Epiisohamixanthone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056279	Euchrenone a2 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056280	Flemingin A 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056281	Flemingin D 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056282	Flemiwallichin D 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056283	Flemiwallichin F 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056284	Folitenol; 6a-Hydroxy 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056285	Gangetinin; 1,2-Dihydro, O-de-Me 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056286	Glycinflanin C 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056287	Glyinflanin C 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056288	Isoosajin; 7,8-Dihydro 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056289	Kanzonol Z 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056290	Kuwanon S 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056291	Lespedezol A2 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056292	Licocoumarin A 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056293	Lupinifolin 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056294	Mammea A/AB 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056295	Mammea A/BA 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056296	Mammea A/BB 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056297	Mammeisin 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056298	Minimiflorin 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056299	Orientanol F 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056300	Paratocarpin F 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056301	Paratocarpin I 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056302	Rubraflavone A 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056303	Sericone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056304	Shamixanthone 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056305	Sigmoidin E 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056306	Terphenyllin; 3''-Hydroxy, 4-deoxy, 4''-O-(3-methyl-2-butenyl) 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MJ056307	Xanthohumol E 	C25H26O5	406.178023	NA	MeJP	NA	NA
+MetaCyc03409	xanthohumol E []	C25H26O5	406.178024	NA	metacyc	NA	NA
+3214	Casoxin from bovine kappa-casein fr: 35-41	YPSYGLN	406.17895	MH2+	Inhouse_peptide	NA	peptide
+MJ056308	4-(3-Chlorophenyl)-?-(diphenylmethyl)-1-piperazineethanol 	C25H27ClN2O	406.181191	NA	MeJP	NA	NA
+PJ000987	TTW 	C19H26N4O6	406.1852	NA	PeJP	NA	NA
+PJ000988	GAPY 	C19H26N4O6	406.1853	NA	PeJP	NA	NA
+PJ000989	KEM 	C16H30N4O6S	406.1886	NA	PeJP	NA	NA
+MJ056309	Arenine, Me ether 	C24H26N2O4	406.189257	NA	MeJP	NA	NA
+MJ056310	Carvedilol 	C24H26N2O4	406.189257	NA	MeJP	NA	NA
+MJ056311	Nicocodine; 7,8-Dihydro 	C24H26N2O4	406.189257	NA	MeJP	NA	NA
+C06875	Carvedilol	C24H26N2O4	406.1893	NA	KEGG	NA	NA
+MJ056312	Ascochlorin; 4',5'-Dihydro 	C23H31ClO4	406.191087	NA	MeJP	NA	NA
+MJ056313	Grifolic acid; 5-Chloro 	C23H31ClO4	406.191087	NA	MeJP	NA	NA
+C14648	6alpha-Chloro-17-acetoxyprogesterone	C23H31ClO4	406.1911	NA	KEGG	NA	NA
+PJ000990	GPPH 	C18H26N6O5	406.1965	NA	PeJP	NA	NA
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.1985	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.1985	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.1985	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.1985	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR636	Cortisone FA adduct	[M+FA-H]-	406.198525	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ056314	1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 3-(2-Methylbutanoyl), 1-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056315	1,3,11-Trihydroxy-4-eudesmen-12,6-olide, 11-Angeloyl, 1-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056316	1,3,7,14-Tetrahydroxy-16-kaurene-12,15-dione, 3-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056317	1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056318	10,11,12,14,18-Pentahydroxy-20-nor-8,11,13-abietatrien-7-one; 12-Me ether, 18-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056319	2,15-Dihydroxy-3,13-clerodadien-16,15-olid-17-oic acid, 2-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056320	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 6-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056321	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Tigloyl, 2-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056322	2,4,6-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Angeloyl, 6-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056323	2-Hydroxy-15-oxo-3,13-clerodadiene-16,17-dioic acid, Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056324	3,4,8-Trihydroxy-7(11)-eudesmen-12,8-olide, 3-Angeloyl, 4-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056325	3,4-Epoxy-2,8-dihydroxy-10-guaien-12,6-olide, 2-(2-Methylbutanoyl), 8-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056326	3,5,7-Trihydroxy-p-menth-1-en-6-one, 3,7-Ditigloyl, 5-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056327	3,8,10-Trihydroxy-4-guaien-12,6-olide, 8-Angeloyl, 10-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056328	3-(3,6-Dihydro-3-hydroxy-6-oxo-2H-pyran-2-yl)-2-propenoic acid, 3-O-(11?-Hydroxy-4,6?-dimethyl-2E,4E-dodecadienoyl) 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056329	4,18:15,16-Diepoxy-1,8,19-trihydroxy-13(16),14-clerodadien-6-one, 19-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056330	4,6,8,9-Tetrahydroxy-7-daucanone, 6-(4-Hydroxybenzoyl) 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056331	6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 16-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056332	6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056333	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 7-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056334	7,20-Epoxy-1,6,7,14-tetrahydroxy-16-kauren-15-one, 1-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056335	7,20-Epoxy-1,6,7,19-tetrahydroxy-16-kauren-15-one, 19-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056336	7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol, 15-Ketone, 19-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056337	7,20-Epoxy-6,7,11,19-tetrahydroxy-16-kauren-15-one, 19-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056338	7,20-Epoxy-6,7,12,19-tetrahydroxy-16-kauren-15-one, 19-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056339	7,20-Epoxy-6,7,14,19-tetrahydroxy-16-kauren-15-one, 19-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056340	7-Nor-p-mentha-1,3,5-triene-1,2,6,9,10-pentol; 1,2,6-Tri-Me ether, 9,10-diangeloyl 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056341	7-Nor-p-mentha-1,3,5-triene-1,2,6,9,10-pentol; 1,2,6-Tri-Me ether, 9,10-ditigloyl 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056342	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-(3-Methyl-2-butenoyl), 11-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056343	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-Angeloyl, 11-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056344	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylbutanoyl), 15-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056345	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(2-Methylbutanoyl), 9-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056346	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 14-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056347	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056348	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056349	9,12-Epoxy-20-hydroxy-16,15:19,6-labdanediolide, Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056350	9,13-Epidioxy-11-hydroxy-15-nor-14-oxo-11-isocopalen-16-oic acid; Ac, Me ester 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056351	Chaparrolide; 1-Ketone, 12-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056352	Coleon R; O6,O12-Bis-de-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056353	Fukinolidiol; 1-(3-Hydroxy-2-methylenebutanoyl), 9-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056354	Isodonal; 15?-Alcohol 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056355	Isodonal; 6-Alcohol 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056356	Jamesoniellide B 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056357	Jaspiferoic acid A 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056358	Lanugone N 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056359	Nepetaefolinol; Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056360	Nigakilactone K 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056361	Nigakilactone M; 11,12-Methylene ether 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056362	Nigakilactone N; 11,12-Methylene ether 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056363	Nodosin; 11-Epimer, 15?-alcohol, 6-Ac 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056364	Rabdokaurin D 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056365	Rabdosichuanin A 	C22H30O7	406.199153	NA	MeJP	NA	NA
+MJ056366	Rastronol G 	C22H30O7	406.199153	NA	MeJP	NA	NA
+C09486	Isomontanolide	C22H30O7	406.1992	NA	KEGG	NA	NA
+C17033	Nigakilactone K	C22H30O7	406.1992	NA	KEGG	NA	NA
+C17034	Nigakilactone L	C22H30O7	406.1992	NA	KEGG	NA	NA
+C17052	Picrasin E	C22H30O7	406.1992	NA	KEGG	NA	NA
+PJ000991	TMR 	C15H30N6O5S	406.1999	NA	PeJP	NA	NA
+MJ056367	Argentine 	C23H26N4O3	406.20049	NA	MeJP	NA	NA
+C10753	Argentine	C23H26N4O3	406.2005	NA	KEGG	NA	NA
+MJ056368	3-Alkanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanones; 3-Hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-2(5H)-furanone, Ca salt 	C21H34CaO5	406.203215	NA	MeJP	NA	NA
+PJ000992	SSTL 	C16H30N4O8	406.2064	NA	PeJP	NA	NA
+3168	dipeptidyl peptidase IV inhibitor	PPPP	406.208	celiac toxic	Inhouse_peptide	NA	peptide
+MJ056369	Xenocoumacin 2 	C21H30N2O6	406.210386	NA	MeJP	NA	NA
+MJ056370	Tameridone 	C22H26N6O2	406.211724	NA	MeJP	NA	NA
+MJ056371	Zoamides; !Zoamide D 	C22H26N6O2	406.211724	NA	MeJP	NA	NA
+MJ056372	Lincomycin 	C18H34N2O6S	406.213757	NA	MeJP	NA	NA
+C06812	Lincomycin	C18H34N2O6S	406.2138	NA	KEGG	NA	NA
+FL1C1ANI0033	Xanthoangelol F;3'-Geranyl-2',4-dihydroxy-4'-methoxychalcone	C26H30O4	406.2144	265652-71-9	knapsack	NA	NA
+FL1CA9NR0002	2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone	C26H30O4	406.2144	119628-53-4	knapsack	NA	NA
+FL1CQUNI0002	Tunicatachalcone	C26H30O4	406.2144	329038-96-2	knapsack	NA	NA
+FL1DA9NR0008	Adunctin B	C26H30O4	406.2144	151484-74-1	knapsack	NA	NA
+FL1DA9NR0009	Adunctin C	C26H30O4	406.2144	151484-75-2	knapsack	NA	NA
+FL1DA9NR0010	Adunctin D	C26H30O4	406.2144	151593-45-2	knapsack	NA	NA
+FL1DQUNP0001	Grenoblone	C26H30O4	406.2144	104021-41-2	knapsack	NA	NA
+FL2FA9NI0011	5-Methoxy-7-prenyloxy-8-C-prenylflavanone	C26H30O4	406.2144	-	knapsack	NA	NA
+FLIC1LNP0010	Heminitidulan	C26H30O4	406.2144	66446-90-0	knapsack	NA	NA
+FLID1CNI0003	Erycristin;(6aR,11aR)-3-Hydroxy-9-methoxy-2,10-diprenylpterocarpan	C26H30O4	406.2144	114416-06-7	knapsack	NA	NA
+MJ056373	2',6'-Dihydroxy-4'-methoxy-3'-(1-p-menthen-3-yl)chalcone 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056374	3'-(3,7-Dimethyl-2,6-octadienyl)-2',4,4'-trihydroxychalcone, 4'-Me ether 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056375	4-(2,4-Dihydroxy-6-methoxybenzoyl)-1-methyl-5-phenyl-6-prenylcyclohexene 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056376	5,7-Dihydroxy-8-prenylflavanone, 5-Me ether, 7-O-(3-methyl-2-butenyl) 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056377	Adunctin B 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056378	Adunctin C 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056379	Antibiotic BE 51068 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056380	Cordiaquinone C 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056381	Crinatusins; Crinatusin C1 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056382	Crinatusins; Crinatusin C2 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056383	Erycristin 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056384	Grenoblone 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056385	Heminitidulan 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056386	Linderatone; O7-Me 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056387	Monachosorin A; 2,12'-Dihydro 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056388	Panduratin A 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056389	Prostratol E 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056390	Tunicatachalcone 	C26H30O4	406.214409	NA	MeJP	NA	NA
+MJ056391	Flugestone; 17-Ac 	C23H31FO5	406.215552	NA	MeJP	NA	NA
+C15432	Flurogestone acetate	C23H31FO5	406.2156	NA	KEGG	NA	NA
+MJ056392	7-Megastigmene-2,5,6,9-tetrol, 5-O-?-D-Glucopyranoside 	C19H34O9	406.220282	NA	MeJP	NA	NA
+MJ056393	7-Megastigmene-3,5,6,9-tetrol, 3-O-?-D-Glucopyranoside 	C19H34O9	406.220282	NA	MeJP	NA	NA
+MJ056394	7-Megastigmene-3,6,9,10-tetrol, 3-O-?-D-Glucopyranoside 	C19H34O9	406.220282	NA	MeJP	NA	NA
+PJ000993	PKY 	C20H30N4O5	406.2216	NA	PeJP	NA	NA
+MJ056395	Antibiotic TMC 52; Antibiotic TMC 52A, 4'-Deoxy 	C20H30N4O5	406.22162	NA	MeJP	NA	NA
+MJ056396	Antibiotic TMC 52; Antibiotic TMC 52B, 4'-Deoxy 	C20H30N4O5	406.22162	NA	MeJP	NA	NA
+MJ056397	Antibiotic WF 14861A; 4'-Deoxy 	C20H30N4O5	406.22162	NA	MeJP	NA	NA
+MJ056398	Aspergillus oryzae Cysteine protease inhibitors; CPI 5 	C20H30N4O5	406.22162	NA	MeJP	NA	NA
+MJ056399	Kalihinene; 6?-Hydroxy, 10-formamide, 15-thiocyanate 	C22H34N2O3S	406.229013	NA	MeJP	NA	NA
+MJ056400	1,3,5,14-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056401	1,3,7,14-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056402	15-Hydroxy-3-cleroden-18,19-olide, 15-O-Malonyl 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056403	16,17,19-Kauranetriol, 17,19-Dicarboxylic acid, 16-Ac, 17-Me ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056404	2,7-Dihydroxy-3-oxo-1,4(19)-clerodadien-15-oic acid, 7-Ac, Me ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056405	2-Hydroxy-3,13-clerodadiene-15,18-dioic acid, 2-Ac, 18-Me ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056406	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-Ac 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056407	3,11,14,19-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056408	3,12,14,16-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056409	3,12,14,19-Tetrahydroxypregn-5-en-20-one, 19-Ac 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056410	3,14,16,19-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056411	3,14,17,19-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056412	3,15-Epoxy-18-hydroxy-7,11-cembradien-19-al, 18-Malonyl ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056413	3,4-Dihydro-6,8-dihydroxy-3-tridecyl-1H-2-benzopyran-1-one, 5'-Oxo, 6'-hydroxy, 6-Me ether 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056414	3,5,11,14-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056415	3,5,12,14-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056416	3,5,14,19-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056417	3,7,11,14-Tetrahydroxycard-20(22)-enolide 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056418	4'-O-Geranylsinapyl alcohol; ?4''-Isomer, 5''-ethoxy, 7''-hydroxy 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056419	4'-O-Geranylsinapyl alcohol; ?5''-Isomer, 5''-ethoxy, 7''-hydroxy 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056420	4'-O-Geranylsinapyl alcohol; ?7''-Isomer, 6''-(1-hydroxyethoxy) 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056421	4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 1-Octanoyl 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056422	6,7-Epoxy-14,17-dihydroxy-1(19),10,12-xenicatrien-18-oic acid, 17-Ac, Me ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056423	6-Hydroxy-13-cleroden-15,16-olid-18-oic acid, Me ester, Ac 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056424	7,11,14-Trihydroxy-8,15-isopimaradien-18-oic acid, 7-Ac, Me ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056425	7,17-Dihydroxy-15,16-isocopalanedioic acid; 7?-form, 15?17 Lactone, 7-Ac, Me ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056426	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11-Isopropylidene 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056427	9,13-Epidioxy-11-abieten-2-ol, Malonyl ester 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056428	Fukinolidiol; 1,9-Bis(2-methylpropanoyl) 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056429	Monacolin J; O1-(3-Hydroxybutanoyl) 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056430	Sporotricale 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056431	Tenacigenin A; 12-Ac 	C23H34O6	406.235538	NA	MeJP	NA	NA
+MJ056432	Thermopsidine 	C24H30N4O2	406.236876	NA	MeJP	NA	NA
+MJ056433	Pipramadol 	C23H35ClN2O2	406.238706	NA	MeJP	NA	NA
+MJ056434	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Phenylacetyl 	C27H34O3	406.250794	NA	MeJP	NA	NA
+MJ056435	17-Hydroxyestr-4-en-3-one; 17?-form, 3-Phenylpropanoyl 	C27H34O3	406.250794	NA	MeJP	NA	NA
+MJ056436	8,11,13-Abietatriene-3,12-diol, 3-Benzoyl 	C27H34O3	406.250794	NA	MeJP	NA	NA
+MJ056437	8-Hydroxy-3-(12-phenyldodecyl)-1H-2-benzopyran-1-one 	C27H34O3	406.250794	NA	MeJP	NA	NA
+C08155	Nandrolone phenpropionate	C27H34O3	406.2508	NA	KEGG	NA	NA
+MJ056438	2,3,5,6,10,14,16-Grayanotoxaneheptol, 14-Propanoyl 	C20H38O8	406.256668	NA	MeJP	NA	NA
+PJ000994	LKF 	C21H34N4O4	406.258	NA	PeJP	NA	NA
+MJ056439	Amphibine I 	C21H34N4O4	406.258005	NA	MeJP	NA	NA
+C01292	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate	C24H38O5	406.2719	NA	KEGG	NA	NA
+C01293	[Pyruvate dehydrogenase (acetyl-transferring)] phosphate	C4H7N2O6PR2	406.2719	NA	KEGG	NA	NA
+C04643	3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate	C24H38O5	406.2719	NA	KEGG	NA	NA
+C10298	Ardisianone	C24H38O5	406.2719	NA	KEGG	NA	NA
+HMDB00391	7-ketodeoxycholic acid	C24H38O5	406.27191	http://www.hmdb.ca/metabolites/HMDB00391	HMDB	NA	NA
+HMDB00400	3,7-Dihydroxy-12-oxocholanoic acid	C24H38O5	406.27191	http://www.hmdb.ca/metabolites/HMDB00400	HMDB	NA	NA
+HMDB00502	3-Oxocholic acid	C24H38O5	406.27191	http://www.hmdb.ca/metabolites/HMDB00502	HMDB	NA	NA
+HMDB00391	7-ketodeoxycholic acid	C24H38O5	406.27191	HMDB00391	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00400	3,7-Dihydroxy-12-oxocholanoic acid	C24H38O5	406.27191	HMDB00400	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00502	3-Oxocholic acid	C24H38O5	406.27191	HMDB00502	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00391	7-Ketodeoxycholic acid	C24H38O5	406.271912	NA	HMDB2010	NA	NA
+HMDB00400	3,7-Dihydroxy-12-oxocholanoic acid	C24H38O5	406.271912	NA	HMDB2010	NA	NA
+HMDB00502	3-Oxocholic acid	C24H38O5	406.271912	NA	HMDB2010	NA	NA
+MJ056440	1,6,10,14-Phytatetraene-3,5-diol, 9-Acetoxy, 5-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056441	10,12-Epoxy-4,10-seco-2,13(15),17-spatatriene-5,10,12-triol, 2,3-Dihydro, 10,12-di-Me ether, 5-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056442	15,16-Spongianediol, Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056443	15-Pimarene-9,17,18-triol; 9?-form, Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056444	15-Pimarene-9,19-diol; ent-form, 19-(Methylmalonoyl) 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056445	16,17,19-Kauranetriol, 17,19-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056446	17,18-Dihydroxy-19-kauranoic acid, 17-(2-Methylpropanoyl) 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056447	2,6-Dolabelladiene-8,10,18-triol, 10,18-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056448	2,6-Dolabelladiene-8,10,18-triol, 8,10-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056449	2,7-Dolabelladiene-10,18-diol, 7?,8?-Epoxide, di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056450	2,7-Dolabelladiene-6,10,18-triol, 6,10-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056451	2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 11-Butanoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056452	2,9:3,16-Diepoxy-7(19)-asbestinene-6,11-diol, 11-Butanoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056453	2-Hydroxy-6-pentadecyl-1,4-benzoquinone; 2'-Acetoxy, Me ether 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056454	3(11),18-Sphenolobadiene-4,13,17-triol; 13,17-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056455	3,13-Clerodadiene-15,17-diol, 15-Aldehyde 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056456	3,13-Clerodadiene-15,19-diol, 19-Succinoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056457	3,16,17-Kauranetriol, 3,17-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056458	3,4-Epoxy-7-dolabellene-10,18-diol, Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056459	3,7-Dolabelladiene-6,12-diol, 16-Hydroxy, 6,16-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056460	3,7-Dolabelladiene-9,12-diol, 16-Acetoxy, 9-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056461	4(18),13-Clerodadiene-12,15,16-triol, 12,15-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056462	4(18),13-Clerodadiene-12,15,16-triol, 12,16-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056463	4(18),13-Clerodadiene-12,15,16-triol, 15,16-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056464	6,13-Epoxy-3,12-dihydroxy-4(18)-eunicellen-9-one, 12-Butanoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056465	6,13-Epoxy-4(18),8(19)-eunicelladiene-3,9,12-triol, 12-Butanoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056466	6,13-Epoxy-4(18),8(19)-eunicelladiene-7,9,12-triol, 12-Butanoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056467	6,13-Epoxy-8-eunicellene-4,12-diol, Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056468	7,13-Labdadiene-3,11,15-triol, 3,15-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056469	7,8-Epoxy-3,11-cembradiene-10,15-diol; 10,15-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056470	7-Oxo-3-cleroden-15-oic acid; 6?-(2-Methylpropanoyloxy) 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056471	8(17),14-Labdadiene-2,13-diol, 2-O-Succinoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056472	8,10,13(15)-Lobatriene-14,17,18-triol, 14,17-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056473	8,12-Epoxy-13-labdene-15,16-diol, 15,16-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056474	8,12-Eunicelladiene-2,3,4-triol, 2,3-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056475	8,13-Epoxy-14-labden-19-ol, 19-Succinoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056476	8,13-Epoxy-14-labdene-1,18-diol, Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056477	8,13-Epoxy-14-labdene-3,12-diol, Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056478	8,13-Labdadiene-6,7,15-triol, 6,7-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056479	8,13-Labdadiene-6,7,15-triol, 7,15-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056480	8,14-Labdadiene-6,7,13-triol, 6,7-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056481	9,10-Seco-8,13(16),14-labdatriene-10,15,16-triol; 10,15-Di-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056482	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 2-Methylpropanoyl 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056483	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-(Methylpropanoyl) 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056484	Alfaprostol 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056485	Antibiotic CJ 13104 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056486	Crenulacetal A; 18,19-Diepimer, 4-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056487	Crenulacetal A; 18-Epimer, 4-Ac 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056488	Dihydro-4-hydroxy-5-methyl-3-[14-(5-methyl-2-oxo-3-furanyl)tetradecyl]-2(3H)-furanone; 3',4'-Didehydro 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056489	Helipterol; 5-Succinoyloxy 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056490	Mevinolin; 4,4a-Dihydro 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056491	Peniolactol 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056492	Solenopodin D 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056493	Stolonoxide A 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056494	Trunculin B 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056495	Trunculin F 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MJ056496	Trunculin H 	C24H38O5	406.271924	NA	MeJP	NA	NA
+MetaCyc03410	3-&alpha;,12-&alpha;-dihydroxy-7-oxo-5-&beta;-cholanate []	C24H38O5	406.271924	NA	metacyc	NA	NA
+MetaCyc03411	3&alpha;,7&alpha;-dihydroxy-12-oxo-5&beta;-cholanate []	C24H38O5	406.271924	NA	metacyc	NA	NA
+MJ056497	Glutamine, N2-(9Z,12Z,15Z-Octadecatrienoyl) 	C23H38N2O4	406.283157	NA	MeJP	NA	NA
+MJ056498	Emmolactone; Deoxy 	C28H38O2	406.28718	NA	MeJP	NA	NA
+MJ056499	Isodeoxyemmolactone 	C28H38O2	406.28718	NA	MeJP	NA	NA
+MJ056500	12,16,22-Trihydroxy-24-methyl-25-nor-24-scalaranone 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056501	13,17,19-Villanovanetriol, 19-O-(3-Methylbutanoyl) 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056502	14-Labdene-6,8,13-triol, 6-Angeloyl 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056503	2,5-Dihydroxy-3-octadecyl-1,4-benzoquinone; 5-Me ether 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056504	3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Hexadecanoyl 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056505	3-Heptadecyl-2,5-dihydroxybenzoquinone; 5-Et ether 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056506	6,16,17-Kauranetriol, 17-(2-Methylbutanoyl) 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056507	8(17)-Labdene-15,19-diol, 15-Carboxylic acid, 19-(2-Methylbutanoyl) 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056508	8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-(2-methylbutanoyl) 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056509	8(17)-Labdene-2,15-diol, 15-Carboxylic acid, 2-(3-methylbutanoyl) 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056510	8,13-Labdadiene-6,7,15-triol, O6-(3-Methylbutanoyl) 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056511	Mycaperoxide G; Me ester 	C25H42O4	406.308309	NA	MeJP	NA	NA
+MJ056512	Sigmosceptrellin A; Me ester 	C25H42O4	406.308309	NA	MeJP	NA	NA
+HMDB11554	MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C25H42O4	406.308319	NA	HMDB2010	NA	NA
+HMDB11584	MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)	C25H42O4	406.308319	NA	HMDB2010	NA	NA
+MJ056513	Stigmasta-4,6,8(14),22-tetraen-3-one 	C29H42O	406.323565	NA	MeJP	NA	NA
+MJ056514	4,7-Epoxy-11-eremophilanol, Undecanoyl 	C26H46O3	406.344695	NA	MeJP	NA	NA
+MJ056515	2,6,10,15,19,23-Hexamethyl-2,6,8,10,12,14,18,22-tetracosaoctaene 	C30H46	406.359951	NA	MeJP	NA	NA
+MJ056516	21-Isopropyl-28,29,30-trinor-17,19,21-gammaceratriene 	C30H46	406.359951	NA	MeJP	NA	NA
+MJ056517	3,18,20-Filicatriene 	C30H46	406.359951	NA	MeJP	NA	NA
+MJ056518	18-Heptacosene-2,4-dione 	C27H50O2	406.38108	NA	MeJP	NA	NA
+MJ056519	2,4,6-Trimethyl-2,15-tetracosadienoic acid 	C27H50O2	406.38108	NA	MeJP	NA	NA
+MJ056520	24-Methyl-5,9-hexacosadienoic acid 	C27H50O2	406.38108	NA	MeJP	NA	NA
+MJ056521	25-Methyl-5,9-hexacosadienoic acid 	C27H50O2	406.38108	NA	MeJP	NA	NA
+MJ056522	15,20-Octacosadien-11-ol 	C28H54O	406.417466	NA	MeJP	NA	NA
+MJ056523	1-Nonacosene 	C29H58	406.453851	NA	MeJP	NA	NA
+MJ056524	13-Nonacosene 	C29H58	406.453851	NA	MeJP	NA	NA
+MJ056525	14-Nonacosene 	C29H58	406.453851	NA	MeJP	NA	NA
+MJ056526	9-Nonacosene 	C29H58	406.453851	NA	MeJP	NA	NA
+MJ056527	Coscinamide A 	C20H14BrN3O2	407.026939	NA	MeJP	NA	NA
+MJ056528	Berupipam 	C19H19BrClNO2	407.028769	NA	MeJP	NA	NA
+C08412	Glucoiberverin	C11H21NO9S3	407.0378	NA	KEGG	NA	NA
+MJ056529	3-(Methylthio)propyl glucosinolate 	C11H21NO9S3	407.037843	NA	MeJP	NA	NA
+MetaCyc03412	3-methylthiopropyl-glucosinolate [glucoiberverin;]	C11H21N1O9S3	407.037843	NA	metacyc	NA	NA
+MJ056530	Dichloro(1,1-cyclohexanedimethanamine-N,N')platinum 	C8H18Cl2N2Pt	407.049478	NA	MeJP	NA	NA
+MJ056531	Metibride 	C18H18ClN3O2S2	407.052895	NA	MeJP	NA	NA
+MJ056532	Floxacrine 	C20H13ClF3NO3	407.053605	NA	MeJP	NA	NA
+MJ056533	Elnadipine 	C19H19Cl2N3O3	407.080346	NA	MeJP	NA	NA
+MJ056534	Pinadoline 	C19H19Cl2N3O3	407.080346	NA	MeJP	NA	NA
+MetaCyc03413	S-succinylglutathione []	C14H21N3O9S1	407.09985	NA	metacyc	NA	NA
+C03174	S-Succinylglutathione	C14H21N3O9S	407.0999	NA	KEGG	NA	NA
+MJ056535	Erysothiopine 	C19H21NO7S	407.103872	NA	MeJP	NA	NA
+PJ000995	GCND 	C13H21N5O8S	407.1111	NA	PeJP	NA	NA
+MJ056536	Peraclopone 	C20H23Cl2N3O2	407.116732	NA	MeJP	NA	NA
+MJ056537	(Cyclohexylmethyl)[3-[[1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid 	C18H28Cl2NO3P	407.118385	NA	MeJP	NA	NA
+MJ056538	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-?-D-glucopyranoside 	C19H21NO9	407.121631	NA	MeJP	NA	NA
+PJ000996	EEM 	C15H25N3O8S	407.1362	NA	PeJP	NA	NA
+MJ056539	?-Glutamyl-?-glutamylmethionine 	C15H25N3O8S	407.136235	NA	MeJP	NA	NA
+MJ056540	8-Carboxymethyldihydrochelerythrine 	C23H21NO6	407.136887	NA	MeJP	NA	NA
+MJ056541	Pagoclone 	C23H22ClN3O2	407.140054	NA	MeJP	NA	NA
+7906	synthetic peptide	HDH	407.1429	antioxidative	Inhouse_peptide	NA	peptide
+7978	synthetic peptide	DHH	407.1429	antioxidative	Inhouse_peptide	NA	peptide
+PJ000997	GSNM 	C14H25N5O7S	407.1475	NA	PeJP	NA	NA
+MJ056542	3-[1-[[2-Hydroxy-3-[hydroxy[(4-methoxyphenyl)methyl]phosphinyl]propyl]amino]ethyl]benzoic acid 	C20H26NO6P	407.149774	NA	MeJP	NA	NA
+PJ000998	DHH 	C16H21N7O6	407.1554	NA	PeJP	NA	NA
+MJ056543	Coelenterazine; 4'-Deoxy 	C26H21N3O2	407.163376	NA	MeJP	NA	NA
+C00982	Renilla luciferin	C26H21N3O2	407.1634	NA	KEGG	NA	NA
+C07168	Trifluoperazine	C21H24F3N3S	407.1643	NA	KEGG	NA	NA
+C07169	Transferred to D00390	C21H24F3N3S	407.1643	NA	KEGG	NA	NA
+C07170	Transferred to D00391	C21H24F3N3S	407.1643	NA	KEGG	NA	NA
+MJ056544	Trifluoperazine 	C21H24F3N3S	407.164303	NA	MeJP	NA	NA
+MetaCyc03414	trifluoperazine [10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;]	C21H24N3F3S1	407.164303	NA	metacyc	NA	NA
+PJ000999	SSSQ 	C14H25N5O9	407.1652	NA	PeJP	NA	NA
+3557	ACE inhibitor	FNQ	407.1689	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001000	PEY 	C19H25N3O7	407.1693	NA	PeJP	NA	NA
+MJ056545	4-(2-Hydroxy-3-methyl-3-butenyl)yukocitrine 	C24H25NO5	407.173272	NA	MeJP	NA	NA
+MJ056546	Tyloindicine J 	C24H25NO5	407.173272	NA	MeJP	NA	NA
+MJ056547	2-Ethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1-biphenyl]-4-yl]methoxy]quinoline 	C25H21N5O	407.17461	NA	MeJP	NA	NA
+3704	NA	YPFGFQG	407.1755	MH2+	Inhouse_peptide	NA	peptide
+3727	NA	YPFGFCQG	407.1755	MH2+	Inhouse_peptide	NA	peptide
+MJ056548	Estatin A; p-Hydroxybenzyl analogue 	C18H25N5O6	407.180483	NA	MeJP	NA	NA
+PJ001001	NQF 	C18H25N5O6	407.1805	NA	PeJP	NA	NA
+MJ056549	Ciclonium(1+); Bromide 	C22H34BrNO	407.182377	NA	MeJP	NA	NA
+3599	NA	YPFGFW~	407.1835	MH2+	Inhouse_peptide	NA	peptide
+PJ001002	GTCK 	C15H29N5O6S	407.1839	NA	PeJP	NA	NA
+MJ056550	Tinisulpride 	C20H29N3O4S	407.187877	NA	MeJP	NA	NA
+MJ056551	Feldamycin 	C17H25N7O5	407.191716	NA	MeJP	NA	NA
+3705	NA	YPFGFKG	407.1935	MH2+	Inhouse_peptide	NA	peptide
+MJ056552	Crotaverrine; O-Ac 	C21H29NO7	407.194402	NA	MeJP	NA	NA
+MJ056553	Ligularidine 	C21H29NO7	407.194402	NA	MeJP	NA	NA
+MJ056554	Senkirkine; Ac 	C21H29NO7	407.194402	NA	MeJP	NA	NA
+MJ056555	Metrenperone 	C24H26FN3O2	407.200905	NA	MeJP	NA	NA
+PJ001003	SSSK 	C15H29N5O8	407.2016	NA	PeJP	NA	NA
+PJ001004	LEF 	C20H29N3O6	407.2057	NA	PeJP	NA	NA
+MJ056556	1,3,4-Trihydroxyacridone; O4,N-Di-Me, O3-(3,7-dimethyl-2,6-octadienyl) 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056557	13a-Methyltylohirsutine 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056558	Alihirsutine A 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056559	Ancistrobertsonine D 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056560	Ancistrobrevine B 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056561	Ancistrobrevine C; 1,2-Dihydro, stereoisomer 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056562	Ancistrocladine 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056563	Atalaphylline; 3,5-Di-Me ether 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056564	Atalaphylline; 3-Me ether, N-Me 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056565	Dioncophylline A; Stereoisomer, Me ether 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056566	Korupensamine A; 6-Me ether, N-Me 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056567	Korupensamine A; Atropisomer, 4'-O-de-Me, 5',8-di-Me ether, N-Me 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+MJ056568	Tropodifene 	C25H29NO4	407.209658	NA	MeJP	NA	NA
+C09335	Ancistrocladine	C25H29NO4	407.2097	NA	KEGG	NA	NA
+PJ001005	NKF 	C19H29N5O5	407.2169	NA	PeJP	NA	NA
+MJ056569	2-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-4,4-dimethyl-1,3(2H,4H)-isoquinolinedione 	C24H29N3O3	407.220891	NA	MeJP	NA	NA
+MJ056570	4-[(2-Amino-5-pyrimidinyl)ethynyl]-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanol 	C24H29N3O3	407.220891	NA	MeJP	NA	NA
+MJ056571	6-(3,4-Dimethoxyphenyl)-1-ethyl-3,4-dihydro-3-methyl-4-[(2,4,6-trimethylphenyl)imino]-2(1H)-pyrimidinone 	C24H29N3O3	407.220891	NA	MeJP	NA	NA
+MJ056572	Ibukinamine; 18-Demethoxy 	C22H33NO6	407.230787	NA	MeJP	NA	NA
+MJ056573	Lamarckinine 	C22H33NO6	407.230787	NA	MeJP	NA	NA
+MJ056574	Monticamine; 7-Hydroxy 	C22H33NO6	407.230787	NA	MeJP	NA	NA
+MJ056575	Monticamine; 9?-Hydroxy 	C22H33NO6	407.230787	NA	MeJP	NA	NA
+MJ056576	Toddaliamide 	C22H33NO6	407.230787	NA	MeJP	NA	NA
+3065	fragment of bovine beta-casein 191-193	LLY	407.231	celiac toxic	Inhouse_peptide	NA	peptide
+7657	ACE inhibitor from human plasma	LIY	407.231	antioxidative	Inhouse_peptide	NA	peptide
+MJ056577	Bidisomide 	C22H34ClN3O2	407.233955	NA	MeJP	NA	NA
+C11331	Leu-leu-tyr	C21H33N3O5	407.242	NA	KEGG	NA	NA
+PJ001006	LLY 	C21H33N3O5	407.242	NA	PeJP	NA	NA
+HMDB11678	Geranylgeranylcysteine	C23H37NO3S	407.24942	NA	HMDB2010	NA	NA
+MJ056578	Antibiotic Ro 09-1547; 4-Me ether, 3-O-[N-(3-oxobutyl)glycyl] 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056579	Bicolorine; O1-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056580	Bicolorine; O6-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056581	Bicolorine; O8-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056582	Blacknidine 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056583	Conaconitine 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056584	Crispulidine 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056585	Glutamic acid, N-(9Z,12Z,15Z-Octadecatrienoyl) 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056586	Karakoline; 12?-Hydroxy, O14-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056587	Norerythrostachaldine 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056588	Talatizamine; 1-Epimer, O1-de-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056589	Talatizamine; O1,O18-Di-de-Me, O8-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056590	Talatizamine; O1-De-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+MJ056591	Talatizamine; O18-De-Me 	C23H37NO5	407.267173	NA	MeJP	NA	NA
+C08666	Cammaconine	C23H37NO5	407.2672	NA	KEGG	NA	NA
+C08701	Norerythrostachaldine	C23H37NO5	407.2672	NA	KEGG	NA	NA
+MJ056592	Disobutamide 	C23H38ClN3O	407.27034	NA	MeJP	NA	NA
+MJ056593	Antibiotic BE 14106; 8-Deoxy 	C27H37NO2	407.282429	NA	MeJP	NA	NA
+MJ056594	16-Isocyano-4,6,8,10-tetramethoxy-11,13-dimethyl-1,11,13-heptadecatriene 	C24H41NO4	407.303558	NA	MeJP	NA	NA
+MJ056595	Calicogorgin A 	C24H41NO4	407.303558	NA	MeJP	NA	NA
+MJ056596	Cassaidine 	C24H41NO4	407.303558	NA	MeJP	NA	NA
+C08669	Cassaidine	C24H41NO4	407.3036	NA	KEGG	NA	NA
+MJ056597	Miltefosine 	C21H46NO4P	407.316445	NA	MeJP	NA	NA
+MJ056598	Antibiotic U 106305 	C28H41NO	407.318814	NA	MeJP	NA	NA
+MJ056599	Radarin B; 6-Deoxy 	C28H41NO	407.318814	NA	MeJP	NA	NA
+HMDB06318	gamma-linolenyl carnitine	C25H45NO3	407.33994	http://www.hmdb.ca/metabolites/HMDB06318	HMDB	NA	NA
+HMDB06319	alpha-linolenyl carnitine	C25H45NO3	407.33994	http://www.hmdb.ca/metabolites/HMDB06319	HMDB	NA	NA
+HMDB06318	gamma-linolenyl carnitine	C25H45NO3	407.33994	HMDB06318	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06319	alpha-linolenyl carnitine	C25H45NO3	407.33994	HMDB06319	PFEM_hmdb_metabocards_official	NA	NA
+8223	antioxidative peptide	HVCYMF	407.6487	MH2+	Inhouse_peptide	NA	peptide
+3725	NA	YPFGFEG	407.6675	MH2+	Inhouse_peptide	NA	peptide
+C14382	4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl	C12H3Cl7O	407.8004	NA	KEGG	NA	NA
+C14726	2,2',3,3',4',5,5'-Heptachloro-4-biphenylol	C12H3Cl7O	407.8004	NA	KEGG	NA	NA
+C15213	2,2',3',4,4',5,5'-Heptachloro-3-biphenylol	C12H3Cl7O	407.8004	NA	KEGG	NA	NA
+C15648	Octachlorocamphene	C10H8Cl8	407.8134	NA	KEGG	NA	NA
+MJ056600	1,1-Dibromo-2-iodo-1-octen-3-one 	C8H11Br2IO	407.822133	NA	MeJP	NA	NA
+MJ056601	2,4,5,7-Tetrachloro-1,3,6-trihydroxy-8-methylxanthone; 3-Me ether 	C15H8Cl4O5	407.912584	NA	MeJP	NA	NA
+MJ056602	2,10-Dibromo-3-chloro-7(14),9-chamigradien-8-ol; 8-Ketone 	C15H19Br2ClO	407.949118	NA	MeJP	NA	NA
+MJ056603	Dactylyne 	C15H19Br2ClO	407.949118	NA	MeJP	NA	NA
+MJ056604	Isodactylyne 	C15H19Br2ClO	407.949118	NA	MeJP	NA	NA
+MJ056605	Sumetizide 	C12H13ClN4O6S2	407.996503	NA	MeJP	NA	NA
+MJ056606	Democonazole 	C19H15Cl3N2O2	408.01991	NA	MeJP	NA	NA
+MJ056607	Triphlorethol C; 3'-Chloro 	C18H13ClO9	408.024809	NA	MeJP	NA	NA
+MJ056608	Antibiotic MM 4550A 	C13H16N2O9S2	408.029721	NA	MeJP	NA	NA
+MJ056609	Diospyrin; 2'-Chloro 	C22H13ClO6	408.040065	NA	MeJP	NA	NA
+MJ056610	Diospyrin; 3'-Chloro 	C22H13ClO6	408.040065	NA	MeJP	NA	NA
+MetaCyc03415	glucotropeolin [glucotropaeolin;]	C14H18N1O9S2	408.042298	499-26-3	metacyc	NA	NA
+MJ056611	Hamacanthin A, 6''-Debromo, 3S,4-dihydro 	C20H17BrN4O	408.058573	NA	MeJP	NA	NA
+MJ056612	Hamacanthin A, 6'-Debromo, 3S,4-dihydro 	C20H17BrN4O	408.058573	NA	MeJP	NA	NA
+MJ056613	Hamacanthin B; 6''-Debromo, 3,4-dihydro(cis-) 	C20H17BrN4O	408.058573	NA	MeJP	NA	NA
+MJ056614	Hamacanthin B; 6'-Debromo, 3,4-dihydro(cis-) 	C20H17BrN4O	408.058573	NA	MeJP	NA	NA
+MJ056615	Atranorin; 5-Chloro 	C19H17ClO8	408.061195	NA	MeJP	NA	NA
+MJ056616	Carpetimycin A; 1',2'-Dihydro, S-deoxy, O-sulfate 	C14H20N2O8S2	408.066107	NA	MeJP	NA	NA
+MJ056617	Bazzania acid 	C18H16O11	408.069261	NA	MeJP	NA	NA
+MJ056618	Elfazepam 	C19H18ClFN2O3S	408.071069	NA	MeJP	NA	NA
+MJ056619	Susalimod 	C21H16N2O5S	408.077992	NA	MeJP	NA	NA
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR301	Gluthation oxyde F3	NA	408.079275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR301	Gluthation oxyde F3	NA	408.079275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR301	Gluthation oxyde F3	NA	408.079275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR301	Gluthation oxyde F3	NA	408.079275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR301	Glutathione oxidized F3	F3	408.079275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C12370	Tetracenomycin E	C22H16O8	408.0845	NA	KEGG	NA	NA
+C12378	Tetracenomycin B2	C22H16O8	408.0845	NA	KEGG	NA	NA
+FL3FAENF0001	Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione	C22H16O8	408.08451	144049-86-5	knapsack	NA	NA
+FL4DAANC0001	3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone	C22H16O8	408.08451	144224-04-4	knapsack	NA	NA
+FL5FACNC0001	8-p-Hydroxybenzylquercetin	C22H16O8	408.08451	163399-32-4	knapsack	NA	NA
+MJ056620	2',4,4',5,5',6-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4,5:4',5'-Bis(methylene), 2',6-di-Me ether 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056621	2-[2,4-Dihydroxy-6-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]phenyl]-7-hydroxy-5-methyl-4H-1-benzopyran-4-one 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056622	3'-(3-Formyl-6-hydroxyphenyl)-3,4',5,7-tetrahydroxyflavanone 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056623	4',5,7-Trihydroxy-8-(4-hydroxybenzyl)flavone; 3,3'-Dihydroxy 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056624	9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056625	Anhydromaggiemycin 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056626	Antibiotic Zg; 1'-Ketone 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056627	Bis[4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]acetic acid; Et ester 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056628	Tetracenomycin D3; 3,8-Di-Me ether 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056629	Tetracenomycin D3; Me ester, 3(or 8) Me ether 	C22H16O8	408.084517	NA	MeJP	NA	NA
+MJ056630	Torosaflavone C 	C22H16O8	408.084517	NA	MeJP	NA	NA
+PJ001007	GCDD 	C13H20N4O9S	408.0951	NA	PeJP	NA	NA
+MJ056631	3-Chloro-8,9,14-trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl 	C20H21ClO7	408.09758	NA	MeJP	NA	NA
+MJ056632	3-Chloro-8,9,15-trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-O-Tigloyl 	C20H21ClO7	408.09758	NA	MeJP	NA	NA
+MJ056633	Eriodermic acid; Me ester 	C20H21ClO7	408.09758	NA	MeJP	NA	NA
+MJ056634	Xylerythrin 	C26H16O5	408.099773	NA	MeJP	NA	NA
+C09011	Khellol glucoside	C19H20O10	408.1056	NA	KEGG	NA	NA
+MJ056635	2,4,4',6-Tetrahydroxybenzophenone; 2-O-?-D-Glucopyranoside 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056636	2,4,4',6-Tetrahydroxybenzophenone; 4-O-?-D-Glucopyranoside 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056637	3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056638	?-Sorigenin; 6-Methoxy, 8-O-?-D-glucopyranoside 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056639	Arbutin; 6-O-(3,4-Dihydroxybenzoyl) 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056640	Equisetumpyrone; 3'-Deoxy 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056641	Khellol; 7-(?-D-Glucopyranosyl) 	C19H20O10	408.105646	NA	MeJP	NA	NA
+MJ056642	Methyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-3-pyridinecarboxylate 	C18H21N2O7P	408.108637	NA	MeJP	NA	NA
+MJ056643	3-(4-Hydroxyphenyl)-1-propanol; 4'-Me ether, 1-O-(2-O-sulfo-?-D-glucopyranoside) 	C16H24O10S	408.109017	NA	MeJP	NA	NA
+PJ001008	SPCC 	C14H24N4O6S2	408.1137	NA	PeJP	NA	NA
+MJ056644	Arteflene 	C19H18F6O3	408.116013	NA	MeJP	NA	NA
+MJ056645	Cystothiazole A; 5-O-De-Me 	C19H24N2O4S2	408.117748	NA	MeJP	NA	NA
+MJ056646	Melithiazoles; Melithiazole H 	C19H24N2O4S2	408.117748	NA	MeJP	NA	NA
+MJ056647	Omapatrilat 	C19H24N2O4S2	408.117748	NA	MeJP	NA	NA
+FL5F2CNP0001	3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone	C23H20O7	408.1209	77970-06-0	knapsack	NA	NA
+FLIA1LNP0004	Ferrugone	C23H20O7	408.1209	7731-08-0	knapsack	NA	NA
+FLIA2LNP0001	Ichthynone	C23H20O7	408.1209	24340-62-3	knapsack	NA	NA
+FLIAECNP0001	5-Methoxydurmillone;5,6-Dimethoxy-3',4'methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone	C23H20O7	408.1209	124596-67-4	knapsack	NA	NA
+FLIFWXNF0004	Dehydroamorphigenin;6a,12a-Didehydroamorphigenin	C23H20O7	408.1209	29444-01-7	knapsack	NA	NA
+FLIFWXNF0005	Villosol;6a,12-Didehydrosumatrol	C23H20O7	408.1209	60077-62-5	knapsack	NA	NA
+FLIFWXNP0003	Dehydrotoxicarol;7a,13a-Didehydrotoxicarol	C23H20O7	408.1209	59086-93-0	knapsack	NA	NA
+FLIFWYNF0002	Amorpholone	C23H20O7	408.1209	57103-58-9	knapsack	NA	NA
+FLIHBCNF0001	Glabrescin	C23H20O7	408.1209	65893-96-1	knapsack	NA	NA
+FLIHBCNP0002	Robustin methyl ether	C23H20O7	408.1209	22044-62-8	knapsack	NA	NA
+FLIHBCNP0004	Isorobustin 4-methyl ether;4-O-Methylisorobustin	C23H20O7	408.1209	78648-15-4	knapsack	NA	NA
+FLIHFANF0001	Thonningine B	C23H20O7	408.1209	86989-17-5	knapsack	NA	NA
+MJ056648	13-Homo-13-oxa-6a,12a-dehydrodeguelin 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056649	13-Homo-13-oxa-6a,12a-dehydrorotenone 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056650	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(3,4-Methylenedioxybenzoyl) 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056651	3,6-Dimethoxy-3',4'-methylenedioxy-6'',6''-dimethylchromeno[7,8:2'',3'']flavone 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056652	3-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; Me ether 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056653	?-Toxicarol; 6a,12a-Didehydro 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056654	Amorphigenin; 6a,12a-Didehydro 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056655	Dehydrorotenone, 12-Hydroxy 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056656	Durmillone; 5-Methoxy 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056657	Ferrugone 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056658	Glabrescin 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056659	Ichthynone 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056660	Isorobustin; Me ether 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056661	Khellactone, 10-Benzoyl, 9-Ac 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056662	Pipoxide, 2-Ac 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056663	Robustin; Me ether 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056664	Sumatrol; 6a,12a-Didehydro 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056665	Thonningine B 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056666	Vaginidiol; 3'-O-Benzoyl, 1''-O-Ac 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056667	?-Toxicarol; 7a,13a-Didehydro 	C23H20O7	408.120902	NA	MeJP	NA	NA
+MJ056668	Podolactone D 	C20H24O7S	408.124273	NA	MeJP	NA	NA
+MJ056669	Adoxosidic acid; 6?, 8?-Dihydroxy 	C16H24O12	408.126776	NA	MeJP	NA	NA
+MJ056670	Eustomorusside 	C16H24O12	408.126776	NA	MeJP	NA	NA
+MJ056671	Sarakalim 	C20H19F3N2O4	408.129691	NA	MeJP	NA	NA
+C14669	12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione	C21H29BrO3	408.13	NA	KEGG	NA	NA
+PJ001009	GSDM 	C14H24N4O8S	408.1315	NA	PeJP	NA	NA
+MJ056672	Adifoline; 10-Deoxy 	C22H20N2O6	408.132136	NA	MeJP	NA	NA
+MJ056673	Isochromophilone VII 	C21H25ClO6	408.133966	NA	MeJP	NA	NA
+MJ056674	4-[(4-Chlorophenyl)(1H-imidazol-2-ylmethyl)amino]-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile 	C22H21ClN4O2	408.135303	NA	MeJP	NA	NA
+MJ056675	Wybutoxine 	C16H20N6O7	408.139347	NA	MeJP	NA	NA
+C07601	Ginkgolide A	C20H24O9	408.142	NA	KEGG	NA	NA
+C09279	Nodakenin	C20H24O9	408.142	NA	KEGG	NA	NA
+MJ056676	1-(2,5-Dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)ethane; 2-O-?-D-Glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056677	1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid; 1-O-?-D-Glucopyranoside, benzyl ester 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056678	1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylic acid; OH-form, 2-O-?-D-Glucopyranoside, benzyl ester 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056679	2,3',4',5'-Biphenyltetrol; 3',5'-Di-Me ether, 2-O-?-D-glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056680	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-D-Glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056681	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-D-Galactopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056682	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-?-D-Glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056683	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-?-D-glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056684	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 8-Me ether, 6-O-?-D-glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056685	3,4-Epoxy-1,8,10-trihydroxy-2-oxo-11(13)-guaien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl) 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056686	4'-Hydroxy-3',4'-dihydroseselin; O-?-D-Glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056687	6-Tuliposide A; 1-O-Cinnamoyl 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056688	Arnottinin; (E)-Isomer, 4'-O-?-D-glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056689	Dihydrooroselol, O-?-D-Glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056690	Eurycomanol; 2-Ketone 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056691	Ginkgolide C; 1,7-Dideoxy 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056692	Lomatin, O-?-D-Glucopyranoside 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056693	Vilmorinine A 	C20H24O9	408.142032	NA	MeJP	NA	NA
+MJ056694	Thaxtomin A; 3''-Deoxy, N4-de-Me 	C21H20N4O5	408.143369	NA	MeJP	NA	NA
+MJ056695	Amlodipine 	C20H25ClN2O5	408.145199	NA	MeJP	NA	NA
+HMDB05018	Amlodipine	C20H25ClN2O5	408.1452	http://www.hmdb.ca/metabolites/HMDB05018	HMDB	NA	NA
+C06825	Amlodipine	C20H25ClN2O5	408.1452	NA	KEGG	NA	NA
+C06826	Transferred to D00228	C20H25ClN2O5	408.1452	NA	KEGG	NA	NA
+HMDB05018	Amlodipine	C20H25ClN2O5	408.1452	HMDB05018	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05018	Amlodipine	C20H25ClN2O5	408.145203	NA	HMDB2010	NA	NA
+PJ001010	TCW 	C18H24N4O5S	408.1468	NA	PeJP	NA	NA
+PJ001011	SSSE 	C14H24N4O10	408.1493	NA	PeJP	NA	NA
+PJ001012	QMM 	C15H28N4O5S2	408.1501	NA	PeJP	NA	NA
+MJ056696	Clobetasol; 11-Ketone 	C22H26ClFO4	408.150365	NA	MeJP	NA	NA
+MJ056697	3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione; O-(3-Methyl-2-butenyl) 	C20H28N2O3S2	408.154134	NA	MeJP	NA	NA
+FLNAA9NF0003	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one	C24H24O6	408.15728	54947-83-0	knapsack	NA	NA
+FLNAA9NF0004	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one	C24H24O6	408.15728	-	knapsack	NA	NA
+MJ056698	2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(1-oxobutyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056699	5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one; ?3''-Isomer, 2''-hydroxy 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056700	8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-Cinnamoyl 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056701	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056702	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(2-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056703	8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-1-oxopropyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056704	Calabaxanthone; 9-Hydroxy 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056705	Caloxanthone A; 8-Me ether 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056706	Caloxanthone A; 9-Me ether 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056707	Garciniaxanthone F 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056708	Macluraxanthone; 10-Me ether 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056709	Mammea A/BC; ?3''-Isomer, 2''?-hydroxy 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056710	Rubiginone A1; 4-O-(2-Methylpropanoyl) 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056711	Terphenyllin; 3'-O-De-Me, 2',4,4''-tri-Me ether, 3'-Ac 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056712	Terphenyllin; 4,4''-Di-Me ether, 2'-Ac 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056713	Thwaitesixanthone; 5-Methoxy, 1,2-dihydro 	C24H24O6	408.157288	NA	MeJP	NA	NA
+MJ056714	Montirelin 	C17H24N6O4S	408.157973	NA	MeJP	NA	NA
+C11710	Devazepide	C25H20N4O2	408.1586	NA	KEGG	NA	NA
+MJ056715	Devazepide 	C25H20N4O2	408.158625	NA	MeJP	NA	NA
+MJ056716	Fukinolidiol; 1-(3-Methylthio-2Z-propenoyl), 9-Ac 	C21H28O6S	408.160659	NA	MeJP	NA	NA
+MJ056717	Fukinolidiol; 9-(3-Methylthio-2Z-propenoyl), 1-Ac 	C21H28O6S	408.160659	NA	MeJP	NA	NA
+PJ001013	CMR 	C14H28N6O4S2	408.1614	NA	PeJP	NA	NA
+MJ056718	Achatin I 	C18H24N4O7	408.164499	NA	MeJP	NA	NA
+PJ001014	NEF 	C18H24N4O7	408.1645	NA	PeJP	NA	NA
+MJ056719	2-(12-Bromo-1,5,9-trimethyl-2,4-dodecadien-11-ynyl)cyclopropanebutanoic acid 	C22H33BrO2	408.166392	NA	MeJP	NA	NA
+PJ001015	GTTM 	C15H28N4O7S	408.1679	NA	PeJP	NA	NA
+2736	regulating phosphoinositole mechanism peptide	GFW	408.168	antibacterial	Inhouse_peptide	NA	peptide
+C09046	Bleekerine	C23H24N2O5	408.1685	NA	KEGG	NA	NA
+MJ056720	Alstonine; 10,11-Dimethoxy 	C23H24N2O5	408.168521	NA	MeJP	NA	NA
+MJ056721	Henningsamide; O-Ac 	C23H24N2O5	408.168521	NA	MeJP	NA	NA
+MJ056722	Tabersonine, 3-Oxo, 19S-acetoxy 	C23H24N2O5	408.168521	NA	MeJP	NA	NA
+MJ056723	9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 	C22H29ClO5	408.170351	NA	MeJP	NA	NA
+MJ056724	Alclometasone 	C22H29ClO5	408.170351	NA	MeJP	NA	NA
+C06842	Beclomethasone	C22H29ClO5	408.1704	NA	KEGG	NA	NA
+MJ056725	Tamsulosin 	C20H28N2O5S	408.171892	NA	MeJP	NA	NA
+C07124	Tamsulosin	C20H28N2O5S	408.1719	NA	KEGG	NA	NA
+C07125	Transferred to D00370	C20H28N2O5S	408.1719	NA	KEGG	NA	NA
+MJ056726	[3-(2-[1,1':2',1''-Terphenyl]-4'-ylethyl)phenoxy]acetic acid 	C28H24O3	408.172544	NA	MeJP	NA	NA
+MJ056727	Enkastine; Enkastine 1 	C16H28N2O10	408.174395	NA	MeJP	NA	NA
+MJ056728	Enkastine; Enkastine 3 	C16H28N2O10	408.174395	NA	MeJP	NA	NA
+MJ056729	Timobesone 	C22H29FO4S	408.177058	NA	MeJP	NA	NA
+C09579	Vernoflexuoside	C21H28O8	408.1784	NA	KEGG	NA	NA
+MJ056730	1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 8-(2-Methylpropanoyl), 3-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056731	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056732	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropenoyl), 1-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056733	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Et ether, 8-(2-methylpropenoyl) 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056734	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,13-Di-Me ether, 8-methylpropenoyl 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056735	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 13-Et ether, 8-(methylpropenoyl) 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056736	1,5,8-Trihydroxy-14-oxo-4(15),9,11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, O1-Et, 8-O-(2-methyl-2-propenoyl) 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056737	2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, Tri-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056738	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-(2-Methylpropanoyl), 2-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056739	3,10-Epoxy-1,3,8,15-tetrahydroxy-4,11(13)-germacradien-12,6-olide, 3-Me ether, 8-angeloyl 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056740	3,4,9-Trihydroxy-11(13)-pseudoguaien-12,8-olide, Tri-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056741	3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 10-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056742	3,8-Epoxy-2,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 2-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056743	3-Hydroxy-1,4(15),11(13)-eudesmatrien-12,6-olide, O-?-D-Glucopyranoside 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056744	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, O-?-D-Glucopyranoside 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056745	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, ?-D-Glucopyranoside 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056746	4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056747	4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056748	5,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 10-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056749	6,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,8-olide, 6-(2,3-Dihydroxy-2-methylpropanoyl), 15-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056750	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056751	8,9,10-Trihydroxy-1-oxo-3,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 9-Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056752	8,9,13-Trihydroxy-12,6:14,4-guaianediolide, 13-Me ether, 8-angeloyl 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056753	9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, O-?-D-Glucopyranoside 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056754	9-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056755	Picrodendrin M; 8-Deoxy 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056756	Plagiochiline I; 13-Acetoxy, Ac 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056757	Plagiochiline O 	C21H28O8	408.178417	NA	MeJP	NA	NA
+MJ056758	Plagiochiline R 	C21H28O8	408.178417	NA	MeJP	NA	NA
+CJpos0787	Tryptophan isomer [(2M+H)]+	C22H25N4O4	408.179175	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0787	Tryptophan isomer [(2M+H)]+	C22H25N4O4	408.179175	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ001016	GFW 	C22H24N4O4	408.1798	NA	PeJP	NA	NA
+CJneg0595	Tryptophan isomer [(2M-H)]-	C22H23N4O4	408.180325	C18rt(min)=5.26 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0595	Tryptophan isomer [(2M-H)]-	C22H23N4O4	408.180325	C18rt(min)=5.26 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ056759	Tefludazine 	C22H24F4N2O	408.182476	NA	MeJP	NA	NA
+PJ001017	STTT 	C15H28N4O9	408.1856	NA	PeJP	NA	NA
+PJ001018	KMM 	C16H32N4O4S2	408.1865	NA	PeJP	NA	NA
+MJ056760	Blasticidin S; N-De-Me 	C16H24N8O5	408.186965	NA	MeJP	NA	NA
+MJ056761	Desalicetin 	C17H32N2O7S	408.193022	NA	MeJP	NA	NA
+FL1C1AND0001	Bartericin C	C25H28O5	408.19367	681214-25-5	knapsack	NA	NA
+FL1C1ANF0004	Bartericin B	C25H28O5	408.19367	681214-46-0	knapsack	NA	NA
+FL1C1ANI0017	Xanthoangelol B	C25H28O5	408.19367	132998-81-3	knapsack	NA	NA
+FL1C1ANI0020	Bartericin D	C25H28O5	408.19367	851771-46-5	knapsack	NA	NA
+FL1C1ANI0024	Bartericin A	C25H28O5	408.19367	681214-24-4	knapsack	NA	NA
+FL1C1ANI0029	Paratocarpin D;3'-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone	C25H28O5	408.19367	161099-59-8	knapsack	NA	NA
+FL1C1ANI0030	Paratocarpin E;3-Prenyl-3'-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone	C25H28O5	408.19367	161099-60-1	knapsack	NA	NA
+FL1C1ANI0032	Anthyllin;5-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone	C25H28O5	408.19367	178734-44-6	knapsack	NA	NA
+FL1C1CNI0001	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone	C25H28O5	408.19367	307002-70-6	knapsack	NA	NA
+FL1C1LNI0002	Kuwanol D	C25H28O5	408.19367	123702-93-2	knapsack	NA	NA
+FL1C1LNI0003	Ammothamnidin	C25H28O5	408.19367	88640-94-2	knapsack	NA	NA
+FL1CA9NF0002	Cedrediprenone;2',4'-Dihydroxy-3'-prenyl-5''-(2-hydroxyisopropyl)-4'',5''-dihydrofurano[2'',3'':6',5']chalcone	C25H28O5	408.19367	554408-33-2	knapsack	NA	NA
+FL1CAANI0002	3'-Geranylchalconaringenin;3'-Geranyl-4,2',4',6'-tetrahydroxychalcone	C25H28O5	408.19367	189299-03-4	knapsack	NA	NA
+FL1CHYNI0004	Glyinflanin A	C25H28O5	408.19367	142542-83-4	knapsack	NA	NA
+FL1D1CNP0001	4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone	C25H28O5	408.19367	116207-29-5	knapsack	NA	NA
+FL2F1LNI0001	Lehmannin	C25H28O5	408.19367	112613-52-2	knapsack	NA	NA
+FL2FA8NI0001	Kushenol A	C25H28O5	408.19367	99217-63-7	knapsack	NA	NA
+FL2FAANI0001	Abyssinone V	C25H28O5	408.19367	77263-11-7	knapsack	NA	NA
+FL2FAANI0002	6,8-Diprenylnaringenin;Lonchocarpol A;Senegalensein	C25H28O5	408.19367	68236-11-3	knapsack	NA	NA
+FL2FAANI0007	Euchrestaflavanone A	C25H28O5	408.19367	80510-05-0	knapsack	NA	NA
+FL2FAANI0011	Bonannione A	C25H28O5	408.19367	97126-57-3	knapsack	NA	NA
+FL2FAANI0012	Sophoraflavanone A	C25H28O5	408.19367	87893-18-3	knapsack	NA	NA
+FL2FAANI0015	5,7-Dihydroxy-4'-geranyloxyflavanone;4'-O-Geranylnaringenin	C25H28O5	408.19367	160036-29-3	knapsack	NA	NA
+FL2FAANI0018	Leachianone E	C25H28O5	408.19367	139542-47-5	knapsack	NA	NA
+FL2FAANI0021	Macarangaflavanone B;Paratocarpin L;5,7,4'-Trihydroxy-6,3'-diprenylflavanone	C25H28O5	408.19367	97134-79-7	knapsack	NA	NA
+FL2FAANI0024	Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone	C25H28O5	408.19367	171370-48-2	knapsack	NA	NA
+FL2FAANI0025	Remangiflavanone A;5,7,4'-Trihydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone	C25H28O5	408.19367	289681-42-1	knapsack	NA	NA
+FL2FAANP0013	Paratocarpin J;5-Hydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone	C25H28O5	408.19367	170900-12-6	knapsack	NA	NA
+FL2FAANP0014	Euchrenone a16;5,7-Dihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':4',3']flavanone	C25H28O5	408.19367	474326-33-5	knapsack	NA	NA
+FL4D1ANI0001	3-Hydroxyglabrol	C25H28O5	408.19367	74148-41-7	knapsack	NA	NA
+FL4DA9NI0004	(2R,3S)-3,5,7-Trihydroxy-6-geranylflavanone	C25H28O5	408.19367	89648-69-1	knapsack	NA	NA
+FLIDHXNI0010	2-Prenyl-6a-hydroxyphaseollidin;3,6a,9-Trihydroxy-2,10-diprenylpterocarpan	C25H28O5	408.19367	104363-19-1	knapsack	NA	NA
+MJ056762	1,3,5-Trihydroxy-2,4-diprenylxanthone; 3,5-Di-Me ether 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056763	1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-1-propanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056764	2',4',7-Trihydroxy-3',6-diprenylisoflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056765	2',4',7-Trihydroxy-5',6-diprenylisoflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056766	2',4',7-Trihydroxy-6,8-diprenylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056767	2',4',7-Trihydroxy-6,8-diprenylisoflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056768	2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056769	2',4,4'-Trihydroxy-3,5-diprenylchalcone; ?3''-Isomer, 2''-hydroxy 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056770	2'-Geranyl-3',4',7-trihydroxyflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056771	2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-Angeloyl 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056772	3'-(3,7-Dimethyl-2,6-octadienyl)-2',3,4,4'-tetrahydroxychalcone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056773	3'-(3,7-Dimethyl-2,6-octadienyl)-2',4,4',6'-tetrahydroxychalcone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056774	3'-Geranyl-4',5,7-trihydroxyflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056775	3'-Geranyl-4',5,7-trihydroxyisoflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056776	3,5,7-Trihydroxy-6-geranylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056777	3,6a,9-Trihydroxy-2,10-diprenylpterocarpan 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056778	3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-(2-phenylethenyl)benzoic acid, ?5''',6'''-Isomer, 7'''-hydroxy 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056779	4',5,7-Trihydroxy-3',5'-diprenylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056780	4',5,7-Trihydroxy-3',6-diprenylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056781	4',5,7-Trihydroxy-3',6-diprenylisoflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056782	4',5,7-Trihydroxy-3',8-diprenylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056783	4',5,7-Trihydroxy-6,8-diprenylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056784	4',5,7-Trihydroxy-8-lavandulylflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056785	4',5,7-Trihydroxyflavanone, 4'-O-(E-3,7-Dimethyl-2,6-octadienyl) 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056786	4',7-Dihydroxy-3',8-diprenylflavanone, 3R-Hydroxy 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056787	5'-Geranyl-2',4',7-trihydroxyisoflavanone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056788	5-Hydroxy-6-(4-hydroxyphenylacetyl)-7-methoxy-2,2-dimethyl-8-prenyl-2H-1-benzopyran 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056789	Bonannione A 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056790	Calozeylanolactone 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056791	Cyclolycoserone; 1',8'-Diepimer, 6',7'-didehydro 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056792	Cyclolycoserone; 10',11'-Didehydro 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056793	Flemiflavanone B 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056794	Folitenol; 3''?-Hydroxy, 3'',4''-dihydro 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056795	Glyinflanin A 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056796	Ircinin 1; 8,9-Didehydro 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056797	Ircinolide; 21-Hydroxy 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056798	Kuraridin; Demethoxy 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056799	Kushenol A 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056800	Kuwanol D 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056801	Lehmannin 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056802	Lespedezol B1 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056803	Marinone; Debromo 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056804	Mulberrofuran Y 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056805	Nassauviachromone; 12-Carboxylic acid 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056806	Paratocarpin D 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056807	Paratocarpin E 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056808	Paratocarpin J 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056809	Rhinacanthin A, O-(2,6-Dimethyl-2,6-octadienoyl) 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056810	Sophoraflavanone A 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056811	Spongionellin; 8,9-Didehydro (E-) 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056812	Variecoxanthone B 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056813	Vismianol A 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MJ056814	Xanthoangelol; ?7''-Isomer, 6''-hydroxy 	C25H28O5	408.193674	NA	MeJP	NA	NA
+MetaCyc03416	3',5'-diprenylchalconaringenin []	C25H28O5	408.193674	NA	metacyc	NA	NA
+MetaCyc03417	3'-geranylchalconaringenin []	C25H28O5	408.193674	NA	metacyc	NA	NA
+C09319	Abyssinone V	C25H28O5	408.1937	NA	KEGG	NA	NA
+C09724	6,8-Diprenylnaringenin	C25H28O5	408.1937	NA	KEGG	NA	NA
+MJ056815	1-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-3-phenyl-2-imidazolidinone 	C23H25FN4O2	408.196154	NA	MeJP	NA	NA
+MJ056816	Antibiotic AC4437 	C14H28N6O8	408.196861	NA	MeJP	NA	NA
+MJ056817	3-Hexen-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C18H32O10	408.199547	NA	MeJP	NA	NA
+MJ056818	Digoxose 	C18H32O10	408.199547	NA	MeJP	NA	NA
+PJ001019	VQY 	C19H28N4O6	408.2009	NA	PeJP	NA	NA
+MJ056819	17-Oxolupanine; 13-(E)-Cinnamoyloxy 	C24H28N2O4	408.204907	NA	MeJP	NA	NA
+MJ056820	17-Oxolupanine; 13-(Z)-Cinnamoyloxy 	C24H28N2O4	408.204907	NA	MeJP	NA	NA
+MJ056821	Vincamajine; O-Ac 	C24H28N2O4	408.204907	NA	MeJP	NA	NA
+8033	synthetic peptide	PHR	408.211	antibacterial	Inhouse_peptide	NA	peptide
+PJ001020	ARY 	C18H28N6O5	408.2121	NA	PeJP	NA	NA
+EUR638	cortisol FA adduct	[M+FA-H]-	408.2142	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR638	cortisol FA adduct	[M+FA-H]-	408.2142	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR638	cortisol FA adduct	[M+FA-H]-	408.2142	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR638	cortisol FA adduct	[M+FA-H]-	408.2142	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR638	cortisol FA adduct	[M+FA-H]-	408.214225	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+C09071	Cascarillin	C22H32O7	408.2148	NA	KEGG	NA	NA
+C17031	Nigakilactone F	C22H32O7	408.2148	NA	KEGG	NA	NA
+MJ056822	1,3,7,14-Tetrahydroxy-16-kaurene-12,15-dione, 16?,17-Dihydro, 3-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056823	1,7,14,18,20-Pentahydroxy-16-kauren-15-one, 18-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056824	12,20-Epoxy-11,13,20-trihydroxy-3,14-clerodadien-2-one, 3?,4?-Epoxide, 11-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056825	12,20-Epoxy-7,11,13,20-tetrahydroxy-3,14-clerodadien-2-one, 11-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056826	15,16-Epoxy-3,4,7,12-tetrahydroxy-13(16),14-clerodadien-20-al, 7-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056827	15,16-Epoxy-6,9,13,20-tetrahydroxy-14-labden-19-oic acid, 19?6 Lactone, 20-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056828	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 6-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056829	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl), 4-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056830	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-angeloyl, 4-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056831	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2,3-Epoxy-2-methylbutanoyl), 4-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056832	3,4-Dihydroxy-7(11)-eudesmen-8-one, 7?,11-Epoxide, 3-(2,3-epoxy-2-methylbutanoyl), 4-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056833	3,5,7-Trihydroxy-p-menth-1-en-6-one, 6?-Alcohol, 3,6-ditigloyl, 5-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056834	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 6-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056835	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 11-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056836	7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol, 1-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056837	7,20-Epoxy-16-kaurene-1,6,7,15,19-pentol, 19-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056838	7,20-Epoxy-16-kaurene-6,7,11,14,15-pentol, 6-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056839	7,8,16,18-Tetrahydroxy-19-serrulatanoic acid; 18-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056840	9,13-Epoxy-3,6-dihydroxy-7-oxo-15,16-labdanolide, 3-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056841	Cinncassiol A; 19-Deoxy, 1-Ac 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056842	Dysodanthin E 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056843	Hymenoxon; 2?-Tigloyloxy, 4-Et ether 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056844	Javanicin Z 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056845	Nigakilactone N; 12-Me ether 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056846	Picrasinol D 	C22H32O7	408.214803	NA	MeJP	NA	NA
+MJ056847	Mindoperone 	C25H29FN2O2	408.221306	NA	MeJP	NA	NA
+PJ001021	PHR 	C17H28N8O4	408.2234	NA	PeJP	NA	NA
+2830	PEP inhibitor	PPPV	408.224	NA	Inhouse_peptide	NA	peptide
+MJ056848	Antibiotic Y 05460MA 	C21H32N2O6	408.226036	NA	MeJP	NA	NA
+MetaCyc03418	palmitoylglycerone phosphate []	C19H37O7P1	408.22769	NA	metacyc	NA	NA
+C01192	Palmitoylglycerone phosphate	C19H37O7P	408.2277	NA	KEGG	NA	NA
+C01194	1-Phosphatidyl-D-myo-inositol	C11H17O13PR2	408.2277	NA	KEGG	NA	NA
+C01196	3'-Hydroxyoligoribonucleotide	C10H17O10PR2	408.2277	NA	KEGG	NA	NA
+FL1DA9NR0005	Methyllinderatin	C26H32O4	408.23005	120948-03-0	knapsack	NA	NA
+FL1DA9NR0007	Adunctin A	C26H32O4	408.23005	151484-73-0	knapsack	NA	NA
+MJ056849	Adunctin A 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056850	Amorfrutin B 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056851	Heterophylol 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056852	Kazinol M; 2'-Me ether 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056853	Linderatin, 4'-Me ether 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056854	Nimbocinol 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056855	Norbixin, Di-Me ester 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056856	Tenuifolin A 	C26H32O4	408.230059	NA	MeJP	NA	NA
+MJ056857	Irindalone 	C24H29FN4O	408.232539	NA	MeJP	NA	NA
+PJ001022	VKY 	C20H32N4O5	408.2373	NA	PeJP	NA	NA
+MJ056858	Lofentanil 	C25H32N2O3	408.241292	NA	MeJP	NA	NA
+3322	NA	RRPYIL	408.2425	MH2+	Inhouse_peptide	NA	peptide
+MJ056859	Konakhin 	C24H37ClO3	408.243122	NA	MeJP	NA	NA
+MJ056860	10(20)-Grayanotoxene-3,5,6,14,16-pentol, 14-Propanoyl 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056861	3,7-Dihydroxy-2-oxo-3-cleroden-15-oic acid, 7-Ac, Me ester 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056862	4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 5?-Alcohol, 1-octanoyl 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056863	6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 12'-Deoxy, 4-Me ether, 2'-Ac 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056864	Australifungin 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056865	Dendrillin 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056866	Dendrillolide D 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056867	Helogynic acid 	C23H36O6	408.251188	NA	MeJP	NA	NA
+MJ056868	Peroxyacarnoic acid A; 21,22-Dihydro, 21-oxo 	C23H36O6	408.251188	NA	MeJP	NA	NA
+C09063	Asebotoxin II	C23H36O6	408.2512	NA	KEGG	NA	NA
+C10767	Dimethamine	C24H32N4O2	408.2525	NA	KEGG	NA	NA
+MJ056869	Dimethamine 	C24H32N4O2	408.252526	NA	MeJP	NA	NA
+MJ056870	Apo-10'-violaxanthal 	C27H36O3	408.266445	NA	MeJP	NA	NA
+MJ056871	Carotenonaldehyde 	C27H36O3	408.266445	NA	MeJP	NA	NA
+MJ056872	Orestrate 	C27H36O3	408.266445	NA	MeJP	NA	NA
+MJ056873	Quingestanol; Ac 	C27H36O3	408.266445	NA	MeJP	NA	NA
+MJ056874	Sargaquinal 	C27H36O3	408.266445	NA	MeJP	NA	NA
+MetaCyc03419	3,5-dihydroxy-6,7-didehydro-12'-apo-&beta;-caroten-12'-al []	C27H36O3	408.266445	NA	metacyc	NA	NA
+MetaCyc03420	5,6-epoxy-3-hydroxy-12'-apo-&beta;-caroten-12'-al []	C27H36O3	408.266445	NA	metacyc	NA	NA
+MJ056875	Sinapoylspermine 	C21H36N4O4	408.273655	NA	MeJP	NA	NA
+MJ056876	Chilocorine C 	C26H36N2O2	408.277678	NA	MeJP	NA	NA
+MJ056877	Echinine 	C26H36N2O2	408.277678	NA	MeJP	NA	NA
+MJ056878	Fischerellin A 	C26H36N2O2	408.277678	NA	MeJP	NA	NA
+HMDB00312	3a,7a,12b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00320	3a,4b,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00326	1b,3a,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00330	3a,4b,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00364	3a,6a,7b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00371	1,3,12-Trihydroxycholan-24-oic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00376	3b,7a,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00390	3a,7b,12b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00395	3b,7b,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00404	2b,3a,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00414	1b,3a,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00415	3a,6b,7b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00419	3b,7a,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00427	3b,7b,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00432	3a,7b,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00505	Allocholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00506	Alpha-Muricholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00527	6a,12a-Dihydroxylithocholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00619	Cholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00760	Hyocholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00865	Muricholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00917	Ursocholic acid	C24H40O5	408.287567	NA	HMDB2010	NA	NA
+HMDB00619	Cholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00619	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00312	3a,7a,12b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00312	HMDB	NA	NA
+HMDB00320	3a,4b,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00320	HMDB	NA	NA
+HMDB00326	1b,3a,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00326	HMDB	NA	NA
+HMDB00330	3a,4b,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00330	HMDB	NA	NA
+HMDB00364	3a,6a,7b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00364	HMDB	NA	NA
+HMDB00371	1,3,12-Trihydroxycholan-24-oic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00371	HMDB	NA	NA
+HMDB00376	3b,7a,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00376	HMDB	NA	NA
+HMDB00390	3a,7b,12b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00390	HMDB	NA	NA
+HMDB00395	3b,7b,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00395	HMDB	NA	NA
+HMDB00404	2b,3a,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00404	HMDB	NA	NA
+HMDB00414	1b,3a,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00414	HMDB	NA	NA
+HMDB00415	3a,6b,7b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00415	HMDB	NA	NA
+HMDB00419	3b,7a,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00419	HMDB	NA	NA
+HMDB00427	3b,7b,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00427	HMDB	NA	NA
+HMDB00432	3a,7b,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00432	HMDB	NA	NA
+HMDB00505	Allocholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00505	HMDB	NA	NA
+HMDB00506	a-Muricholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00506	HMDB	NA	NA
+HMDB00527	6a,12a-Dihydroxylithocholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00527	HMDB	NA	NA
+HMDB00619	Cholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00619	HMDB	NA	NA
+HMDB00760	Hyocholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00760	HMDB	NA	NA
+HMDB00865	Muricholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00865	HMDB	NA	NA
+HMDB00917	Ursocholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00917	HMDB	NA	NA
+HMDB00619	Cholic acid	C24H40O5	408.28757	http://www.hmdb.ca/metabolites/HMDB00619	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00312	3a,7a,12b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00312	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00320	3a,4b,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00320	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00326	1b,3a,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00326	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00330	3a,4b,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00330	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00364	3a,6a,7b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00364	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00371	1,3,12-Trihydroxycholan-24-oic acid	C24H40O5	408.28757	HMDB00371	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00376	3b,7a,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.28757	HMDB00376	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00390	3a,7b,12b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00390	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00395	3b,7b,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00395	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00404	2b,3a,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00404	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00414	1b,3a,7a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00414	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00415	3a,6b,7b-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00415	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00419	3b,7a,12a-Trihydroxy-5b-cholanoic acid	C24H40O5	408.28757	HMDB00419	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00427	3b,7b,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.28757	HMDB00427	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00432	3a,7b,12a-Trihydroxy-5a-Cholanoic acid	C24H40O5	408.28757	HMDB00432	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00505	Allocholic acid	C24H40O5	408.28757	HMDB00505	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00506	a-Muricholic acid	C24H40O5	408.28757	HMDB00506	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00527	6a,12a-Dihydroxylithocholic acid	C24H40O5	408.28757	HMDB00527	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00619	Cholic acid	C24H40O5	408.28757	HMDB00619	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00760	Hyocholic acid	C24H40O5	408.28757	HMDB00760	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00865	Muricholic acid	C24H40O5	408.28757	HMDB00865	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00917	Ursocholic acid	C24H40O5	408.28757	HMDB00917	PFEM_hmdb_metabocards_official	NA	NA
+MJ056879	1,3,12-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056880	1,3,7-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056881	13,15,16-Isocopalanetriol, 15,16-Di-Ac 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056882	3,11-Dihydroxy-15-cembren-6-one, Di-Ac 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056883	3,12,16-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056884	3,12,23-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056885	3,6,12-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056886	3,6,7-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056887	3,7,12-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056888	3,7,22-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056889	3,7,23-Trihydroxycholan-24-oic acid 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056890	3-(17-Hydroxyheptadecyl)-4-methyl-2,5-furandione; Ac 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056891	3-Clerodene-15,16,18-triol, 15,16-Di-Ac 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056892	3-Clerodene-15,16,18-triol, 15,18-Di-Ac 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056893	3-Clerodene-15,18-diol, 18-(Methylmalonyl) 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056894	6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 9-Butanoyl 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056895	6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 12-Butanoyl 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056896	8,13-Epoxy-14,15-labdanediol, Di-Ac 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056897	Butaprost 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056898	Byssomeruliol A; 12'-Deoxy 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056899	Dihydro-4-hydroxy-5-methyl-3-[14-(5-methyl-2-oxo-3-furanyl)tetradecyl]-2(3H)-furanone 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MJ056900	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate 	C24H40O5	408.287574	NA	MeJP	NA	NA
+MetaCyc03421	3&alpha;,7&alpha;,12&beta;-trihydroxy-5&beta;-cholanate [3&alpha;,7&alpha;,12&beta;-trihydroxy-5&beta;-cholanic acid;]	C24H40O5	408.287574	NA	metacyc	NA	NA
+MetaCyc03422	cholate [cholic acid;3-&alpha;,7-&alpha;,12-&alpha;-trihydroxy-5-&beta;-cholanate;3-&alpha;,7-&alpha;,12-&alpha;-trihydroxy-5-&beta;-cholic acid;]	C24H40O5	408.287574	81-25-4	metacyc	NA	NA
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR642	Cholic acid 	NA	408.287575	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR642	Cholic acid 	NA	408.287575	409.294775	Inhouse_sept12	NA	NA
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR642	Cholic acid 	NA	408.287575	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR642	Cholic acid 	[M+H]+	408.2876	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR642	Cholic acid 	[M+H]+	408.2876	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR642	Cholic acid 	[M+H]+	408.2876	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR642	Cholic acid 	[M+H]+	408.2876	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C00695	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C01558	Bile salt	C24H40O5	408.2876	NA	KEGG	NA	NA
+C01559	Butirosin	C24H40O5	408.2876	NA	KEGG	NA	NA
+C01560	C-Protein	C3H4N2O2R2	408.2876	NA	KEGG	NA	NA
+C04661	3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C04662	4-Deoxy-alpha-L-erythro-hex-4-enopyranuronoside	C6H7O6R	408.2876	NA	KEGG	NA	NA
+C17644	Ursocholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17647	alpha-Muricholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17649	Hyocholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17650	Vulpecholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17654	beta-Phocaecholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17657	Bitocholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17667	Avicholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17668	Haemulcholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17726	beta-Muricholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17727	omega-Muricholate	C24H40O5	408.2876	NA	KEGG	NA	NA
+C17737	Allocholic acid	C24H40O5	408.2876	NA	KEGG	NA	NA
+MJ056901	Glutamine, N2-(9Z,12Z-Octadecadienoyl) 	C23H40N2O4	408.298807	NA	MeJP	NA	NA
+MJ056902	4,7,10,13,16,19,22,25-Octacosaoctaenoic acid 	C28H40O2	408.30283	NA	MeJP	NA	NA
+MJ056903	Ergosta-4,7,22-triene-3,6-dione 	C28H40O2	408.30283	NA	MeJP	NA	NA
+MJ056904	Plastoquinone; Plastoquinone 4 	C28H40O2	408.30283	NA	MeJP	NA	NA
+MJ056905	26,27-Dinorcholestane-3,7,12,24-tetrol 	C25H44O4	408.323959	NA	MeJP	NA	NA
+MJ056906	29-Norcycloarta-3,24-dien-23-one 	C29H44O	408.339216	NA	MeJP	NA	NA
+MJ056907	Stigmasta-3,5,24(28)-trien-7-one 	C29H44O	408.339216	NA	MeJP	NA	NA
+MJ056908	Stigmasta-4,6,24-trien-3-one 	C29H44O	408.339216	NA	MeJP	NA	NA
+MJ056909	igmasta-4,6,8(14),22-tetraen-3-one, 22,23-Dihydro 	C29H44O	408.339216	NA	MeJP	NA	NA
+MJ056910	1-Cyclohexyl-2,14-dihydroxy-11,12-dimethyl-11-octadecen-8-one 	C26H48O3	408.360345	NA	MeJP	NA	NA
+MJ056911	17-Oxo-20-hexacosenoic acid 	C26H48O3	408.360345	NA	MeJP	NA	NA
+MJ056912	26-Hydroxyhexacosanoic acid; 22-Oxo, lactone 	C26H48O3	408.360345	NA	MeJP	NA	NA
+MJ056913	Ficulinic acid A 	C26H48O3	408.360345	NA	MeJP	NA	NA
+C16144	4,4'-Diapophytoene	C30H48	408.3756	NA	KEGG	NA	NA
+MJ056914	1,5,9,13,17,21-Hexamethyl-1,5,9,13,17,21-cyclotetracosahexaene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056915	11,13(18)-Neohopadiene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056916	11,13(18)-Oleanadiene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056917	2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056918	3,18-Filicadiene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056919	7,18-Fernadiene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056920	7,9(11)-Fernadiene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056921	9(11),18-Fernadiene 	C30H48	408.375601	NA	MeJP	NA	NA
+MJ056922	10,12-Heptacosanedione 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056923	12,14-Heptacosanedione 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056924	2,4,6-Trimethyl-2-tetracosenoic acid 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056925	2-Phyten-1-ol, Heptanoyl 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056926	20-Heptacosenoic acid 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056927	4,6-Heptacosanedione 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056928	6,8-Heptacosanedione 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056929	8,10-Heptacosanedione 	C27H52O2	408.39673	NA	MeJP	NA	NA
+MJ056930	10,10-Dimethyl-2-hexacosanone 	C28H56O	408.433116	NA	MeJP	NA	NA
+MJ056931	10-Octacosanone 	C28H56O	408.433116	NA	MeJP	NA	NA
+MJ056932	14-Octacosanone 	C28H56O	408.433116	NA	MeJP	NA	NA
+MJ056933	3-Octacosanone 	C28H56O	408.433116	NA	MeJP	NA	NA
+MJ056934	6,8,8-Trimethyl-7-pentacosanone 	C28H56O	408.433116	NA	MeJP	NA	NA
+MJ056935	Octacosanal 	C28H56O	408.433116	NA	MeJP	NA	NA
+C08384	Nonacosane	C29H60	408.4695	NA	KEGG	NA	NA
+MJ056936	Nonacosane 	C29H60	408.469501	NA	MeJP	NA	NA
+MJ056937	2-Methyloctacosane 	C29H60	408.469501	NA	MeJP	NA	NA
+MJ056938	6,7-Dimethylheptacosane 	C29H60	408.469501	NA	MeJP	NA	NA
+3706	NA	YPFGFMG	408.6667	MH2+	Inhouse_peptide	NA	peptide
+C02153	Glucotropaeolin	C14H19NO9S2	409.0501	NA	KEGG	NA	NA
+MJ056939	Benzyl glucosinolate 	C14H19NO9S2	409.050122	NA	MeJP	NA	NA
+MetaCyc03423	benzyl-glucosinolate [glucotropaeolin;]	C14H19N1O9S2	409.050123	NA	metacyc	NA	NA
+MJ056940	Tiquizium(1+); Bromide 	C19H24BrNS2	409.053353	NA	MeJP	NA	NA
+MJ056941	Fanapenel 	C14H15F3N3O6P	409.065056	NA	MeJP	NA	NA
+MJ056942	Fibrostatins; Fibrostatin C 	C18H19NO8S	409.083137	NA	MeJP	NA	NA
+MJ056943	Fibrostatins; Fibrostatin D 	C18H19NO8S	409.083137	NA	MeJP	NA	NA
+MJ056944	Fibrostatins; Fibrostatin E 	C18H19NO8S	409.083137	NA	MeJP	NA	NA
+MJ056945	Biclofibrate 	C20H21Cl2NO4	409.084763	NA	MeJP	NA	NA
+MJ056946	Lifibrate 	C20H21Cl2NO4	409.084763	NA	MeJP	NA	NA
+C04811	1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole	C12H20N5O9P	409.0999	NA	KEGG	NA	NA
+MJ056947	Sitafloxacin 	C19H18ClF2N3O3	409.100475	NA	MeJP	NA	NA
+C11248	DU-6859	C19H18ClF2N3O3	409.1005	NA	KEGG	NA	NA
+MJ056948	8-(2,4-Dichlorophenyl)-N-[2-methoxy-1-(methoxymethyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]-1,3,5-triazin-4-amine 	C18H21Cl2N5O2	409.10723	NA	MeJP	NA	NA
+PJ001023	GCCQ 	C13H23N5O6S2	409.109	NA	PeJP	NA	NA
+MJ056949	Endobenzyline(1+); Bromide 	C20H28BrNO3	409.125256	NA	MeJP	NA	NA
+PJ001024	SSCN 	C13H23N5O8S	409.1267	NA	PeJP	NA	NA
+PJ001025	GGSSC 	C13H23N5O8S	409.1268	NA	PeJP	NA	NA
+PJ001026	EMM 	C15H27N3O6S2	409.1341	NA	PeJP	NA	NA
+C11366	SN-38 carboxylate form	C22H21N2O6	409.14	NA	KEGG	NA	NA
+MJ056950	Eniclobrate 	C24H24ClNO3	409.144471	NA	MeJP	NA	NA
+PJ001027	GCCK 	C14H27N5O5S2	409.1454	NA	PeJP	NA	NA
+PJ001028	DEF 	C18H23N3O8	409.1485	NA	PeJP	NA	NA
+MJ056951	Ezetimibe 	C24H21F2NO3	409.148949	NA	MeJP	NA	NA
+MJ056952	Citropone B 	C23H23NO6	409.152537	NA	MeJP	NA	NA
+MJ056953	Corynoline, Ac 	C23H23NO6	409.152537	NA	MeJP	NA	NA
+MJ056954	Isocorynoline, Ac 	C23H23NO6	409.152537	NA	MeJP	NA	NA
+MJ056955	Reframidine, 15-(Carboethoxy)methyl 	C23H23NO6	409.152537	NA	MeJP	NA	NA
+C08333	Linustatin	C16H27NO11	409.1584	NA	KEGG	NA	NA
+MJ056956	2-Hydroxy-2-methylpropanoic acid; Nitrile, O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C16H27NO11	409.15841	NA	MeJP	NA	NA
+MJ056957	Queuine; 7-?-D-Ribofuranosyl 	C17H23N5O7	409.159748	NA	MeJP	NA	NA
+HMDB11596	Queuosine	C17H23N5O7	409.15976	NA	HMDB2010	NA	NA
+PJ001029	NNY 	C17H23N5O7	409.1598	NA	PeJP	NA	NA
+MJ056958	4-Methyl-N-[3-(4-morpholinyl)propyl]-6-(trifluoromethyl)-4H-furo[3,2-b]indole-2-carboxamide 	C20H22F3N3O3	409.161326	NA	MeJP	NA	NA
+MJ056959	Trifluperidol 	C22H23F4NO2	409.166491	NA	MeJP	NA	NA
+PJ001030	PMY 	C19H27N3O5S	409.1672	NA	PeJP	NA	NA
+MJ056960	8-Ethoxy-3-oxo-1,2-dehydroretrorsine 	C20H27NO8	409.173666	NA	MeJP	NA	NA
+MJ056961	Hackelidine; 7-Angeloyl, N-oxide 	C20H27NO8	409.173666	NA	MeJP	NA	NA
+MJ056962	Prideperone 	C23H24FN3O3	409.180169	NA	MeJP	NA	NA
+CJpos0788	Tryptophan isomer [(2M+H)]+ (13C)	C2113CH25N4O4	409.182575	C18rt(min)=5.26 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0788	Tryptophan isomer [(2M+H)]+ (13C)	C2113CH25N4O4	409.182575	C18rt(min)=5.26 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ001031	VEY 	C19H27N3O7	409.1849	NA	PeJP	NA	NA
+MJ056963	13a-Hydroxytylophorine 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056964	13a-Methyltylohirsutinidine 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056965	4-Hydroxy-3,6,7-trimethoxyphenanthroindolizidine; Me ether, 14-hydroxy 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056966	Aureothin, 4'-Denitro, 4'-acetamido 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056967	Isotylocrebrine, N-Oxide 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056968	Tyloindicine D 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056969	Tyloindicine G 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056970	Tyloindicine I 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056971	Tylophorine, N-oxide 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056972	Tylophorinicine 	C24H27NO5	409.188922	NA	MeJP	NA	NA
+MJ056973	Latrunculin C; 15-Ketone, 11-Me ether 	C21H31NO5S	409.192293	NA	MeJP	NA	NA
+MJ056974	Benexate 	C23H27N3O4	409.200156	NA	MeJP	NA	NA
+MJ056975	Tacraline 	C23H27N3O4	409.200156	NA	MeJP	NA	NA
+PJ001032	PFF 	C23H27N3O4	409.2002	NA	PeJP	NA	NA
+MJ056976	2-Butyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-3H-imidazo[4,5-b]pyridine 	C24H23N7	409.201493	NA	MeJP	NA	NA
+MJ056977	2-Ethyl-5,7-dimethyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-3H-imidazo[4,5-b]pyridine 	C24H23N7	409.201493	NA	MeJP	NA	NA
+PJ001033	LMF 	C20H31N3O4S	409.2035	NA	PeJP	NA	NA
+MJ056978	Callosine 	C21H31NO7	409.210052	NA	MeJP	NA	NA
+MJ056979	Monocrotaline; O13-(2-Methylbutanoyl) 	C21H31NO7	409.210052	NA	MeJP	NA	NA
+8270	f(139-146) of bovine kappa casein	VESTVATL	409.2125	MH2+	Inhouse_peptide	NA	peptide
+MJ056980	Spiperone; 3-N-Me 	C24H28FN3O2	409.216555	NA	MeJP	NA	NA
+MJ056981	Butaperazine 	C24H31N3OS	409.218783	NA	MeJP	NA	NA
+EUR816	Lyso PE 14:1 [M-H-CH3]-	C19H38NO7P	409.222942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR816	Lyso PE 14:1 [M-H-CH3]-	C19H38NO7P	409.222942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR816	Lyso PE 14:1 [M-H-CH3]-	C19H38NO7P	409.222942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR816	Lyso PE 14:1 [M-H-CH3]-	C19H38NO7P	409.222942	masses lipides attendues	Inhousejuil11	NA	NA
+MJ056982	Acidissiminol; 6',7'-Epoxide 	C25H31NO4	409.225308	NA	MeJP	NA	NA
+MJ056983	Fenperate 	C25H31NO4	409.225308	NA	MeJP	NA	NA
+MJ056984	Fenclexonium(1+); Methylsulfate 	C22H35NO4S	409.228679	NA	MeJP	NA	NA
+MJ056985	3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide 	C24H31N3O3	409.236541	NA	MeJP	NA	NA
+MJ056986	Fructigenine B 	C24H31N3O3	409.236541	NA	MeJP	NA	NA
+MJ056987	Milipertine 	C24H31N3O3	409.236541	NA	MeJP	NA	NA
+MJ056988	Selprazine 	C24H31N3O3	409.236541	NA	MeJP	NA	NA
+3366	ACE inhibitor	FQKVVAK	409.2435	MH2+	Inhouse_peptide	NA	peptide
+28	Hemoglobin	FQKVVAK	409.245	MH2+	Inhouse_peptide	NA	peptide
+MJ056989	Dihydrogadesine; O6-De-Me, 6-epimer 	C22H35NO6	409.246437	NA	MeJP	NA	NA
+MJ056990	Lappaconidine 	C22H35NO6	409.246437	NA	MeJP	NA	NA
+MJ056991	Tatsinine 	C22H35NO6	409.246437	NA	MeJP	NA	NA
+MJ056992	Virescenine; O18-De-Me 	C22H35NO6	409.246437	NA	MeJP	NA	NA
+MJ056993	Glutamic acid, N-(9Z,12Z-Octadecadienoyl) 	C23H39NO5	409.282823	NA	MeJP	NA	NA
+MJ056994	Chaetochalasin A 	C27H39NO2	409.298079	NA	MeJP	NA	NA
+MJ056995	Ecliptalbine 	C27H39NO2	409.298079	NA	MeJP	NA	NA
+MJ056996	Heilonine 	C27H39NO2	409.298079	NA	MeJP	NA	NA
+MJ056997	Veratramine 	C27H39NO2	409.298079	NA	MeJP	NA	NA
+C10829	Veratramine	C27H39NO2	409.2981	NA	KEGG	NA	NA
+MJ056998	15-Azasterol; 3-Ketone 	C28H43NO	409.334465	NA	MeJP	NA	NA
+MJ056999	2-(Aminomethyl)-2-propenoic acid; N-Eicosanoyl, Me ester 	C25H47NO3	409.355594	NA	MeJP	NA	NA
+MJ057000	N-(5-Methyl-3-tetradecenoyl)-N',N'',N''-trimethylspermidine 	C25H51N3O	409.403213	NA	MeJP	NA	NA
+7795	Antioxidant peptide derived from egg ovalbumin	VHHANEN	409.6744	MH2+	Inhouse_peptide	NA	peptide
+MJ057001	Bromamphenicol 	C11H12Br2N2O5	409.911296	NA	MeJP	NA	NA
+C11704	DuP 697	C17H12BrFO2S2	409.9446	NA	KEGG	NA	NA
+MJ057002	5-Bromo-2-(4-fluorophenyl)-3-[4-(methylthio)phenyl]thiophene; S,S-Dioxide 	C17H12BrFO2S2	409.944611	NA	MeJP	NA	NA
+MJ057003	2,2',4,4',6,6'-Biphenylhexol; 4,4'-Di-O-sulfate 	C12H10O12S2	409.961367	NA	MeJP	NA	NA
+MJ057004	2,10-Dibromo-3-chloro-7(14),9-chamigradien-8-ol 	C15H21Br2ClO	409.964768	NA	MeJP	NA	NA
+MJ057005	2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigren-5-ol; 5-Deoxy 	C15H21Br2ClO	409.964768	NA	MeJP	NA	NA
+MJ057006	Kylinone 	C15H21Br2ClO	409.964768	NA	MeJP	NA	NA
+MJ057007	Ellagic acid; 2,7-Di-Me ether, 3-O-sulfate 	C16H10O11S	409.994381	NA	MeJP	NA	NA
+MJ057008	Ellagic acid; 3,8-Di-Me ether, 2-sulfate 	C16H10O11S	409.994381	NA	MeJP	NA	NA
+MJ057009	Phyllopsorin; 7-Chloro 	C18H12Cl2O7	409.996008	NA	MeJP	NA	NA
+C08065	Butoconazole	C19H17Cl3N2S	410.0178	NA	KEGG	NA	NA
+MJ057010	Butoconazole 	C19H17Cl3N2S	410.017802	NA	MeJP	NA	NA
+C18013	3,3'-Biflaviolin	C20H10O10	410.0274	NA	KEGG	NA	NA
+C18014	3,8'-Biflaviolin	C20H10O10	410.0274	NA	KEGG	NA	NA
+FL3FECNSS008	6-Hydroxyluteolin 6,3'-dimethyl ether 7-sulfate	C17H14O10S	410.03076	111509-46-7	knapsack	NA	NA
+FL5FCDNSS001	Rhamnazin 3-O-sulfate	C17H14O10S	410.03076	-	knapsack	NA	NA
+FL5FCENSS001	Ombuin 3-O-sulfate	C17H14O10S	410.03076	112106-74-8	knapsack	NA	NA
+FL5FDAGSS001	Quercetin 3,7-dimethyl ether 4'-sulfate;5-Hydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-3,7-dimethoxy-4H-1-benzopyran-4-one	C17H14O10S	410.03076	221662-09-5	knapsack	NA	NA
+FL5FEANSS003	Eupalitin 3-O-sulfate	C17H14O10S	410.03076	111316-16-6	knapsack	NA	NA
+FL5FEANSS005	6-Hydroxykaempferol 7,4'-dimethyl ether 3-sulfate	C17H14O10S	410.03076	-	knapsack	NA	NA
+MJ057011	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 4'-O-sulfate 	C17H14O10S	410.030767	NA	MeJP	NA	NA
+MJ057012	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Sulfate 	C17H14O10S	410.030767	NA	MeJP	NA	NA
+MJ057013	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-Sulfate 	C17H14O10S	410.030767	NA	MeJP	NA	NA
+MJ057014	4',5,7-Trihydroxy-3',6-dimethoxyflavone; 7-O-Sulfate 	C17H14O10S	410.030767	NA	MeJP	NA	NA
+MJ057015	Ceftibuten 	C15H14N4O6S2	410.035475	NA	MeJP	NA	NA
+C08117	Ceftibuten	C15H14N4O6S2	410.0355	NA	KEGG	NA	NA
+MJ057016	Pluracidomycin C3 	C13H18N2O9S2	410.045371	NA	MeJP	NA	NA
+MJ057017	Kynapcin 9 	C21H14O9	410.063782	NA	MeJP	NA	NA
+MJ057018	Tanomastat 	C23H19ClO3S	410.074342	NA	MeJP	NA	NA
+C10937	Bensulfuron methyl	C16H18N4O7S	410.0896	NA	KEGG	NA	NA
+PJ001034	GCCE 	C13H22N4O7S2	410.093	NA	PeJP	NA	NA
+FL4DACNC0001	Gericudranin C	C22H18O8	410.10016	172617-93-5	knapsack	NA	NA
+FL4DACNC0002	Gericudranin B	C22H18O8	410.10016	169592-16-9	knapsack	NA	NA
+FL63ACNS0022	Epicatechin 3-O-p-hydroxybenzoate	C22H18O8	410.10016	108907-45-5	knapsack	NA	NA
+MJ057019	3,3',4',5,7-Pentahydroxy-6-(4-hydroxybenzyl)flavanone 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057020	3,3',4',5,7-Pentahydroxy-8-(4-hydroxybenzyl)flavanone 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057021	3,3',4',5,7-Pentahydroxyflavan, 3-O-(4-Hydroxybenzoyl) 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057022	Aklaviketone 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057023	Anhydro-?-pyrromycinone 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057024	Antibiotic Zg 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057025	Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; 2,3,8,9-Tetra-Me ether 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057026	Desertorin A 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057027	Gossypidiene 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057028	Isokotanin A; 7,7'-Di-de-O-Me 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057029	Kotanin; 7,7'-Di-de-O-Me 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057030	Podophyllotoxin; 7,7',8,8'-Tetradehydro 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057031	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3'-Di-Ac 	C22H18O8	410.100167	NA	MeJP	NA	NA
+MJ057032	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',5'-Di-Ac 	C22H18O8	410.100167	NA	MeJP	NA	NA
+C12422	Aklanonic acid methyl ester	C22H18O8	410.1002	NA	KEGG	NA	NA
+C12423	Aklaviketone	C22H18O8	410.1002	NA	KEGG	NA	NA
+C10949	Nicosulfuron	C15H18N6O6S	410.1009	NA	KEGG	NA	NA
+PJ001035	CCW 	C17H22N4O4S2	410.1083	NA	PeJP	NA	NA
+MJ057033	Antibiotic MM 42842 	C13H22N4O9S	410.110749	NA	MeJP	NA	NA
+PJ001036	SSCD 	C13H22N4O9S	410.1108	NA	PeJP	NA	NA
+MJ057034	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Methyl-4-oxo-2E-butenoyl) 	C20H23ClO7	410.11323	NA	MeJP	NA	NA
+MJ057035	5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-O-(2-O-Acetyl-?-D-glucopyranoside) 	C19H22O10	410.121296	NA	MeJP	NA	NA
+MJ057036	Aloenin 	C19H22O10	410.121296	NA	MeJP	NA	NA
+MJ057037	Aranochromanophthalide 	C19H22O10	410.121296	NA	MeJP	NA	NA
+MJ057038	Haloprogesterone 	C21H28BrFO2	410.12567	NA	MeJP	NA	NA
+PJ001037	GTCM 	C14H26N4O6S2	410.1294	NA	PeJP	NA	NA
+FL1CHYNP0007	Pongapinone A	C23H22O7	410.13655	150501-60-3<BR>146713-95-3	knapsack	NA	NA
+FL5FDDNF0002	Velloquercetin 3,5,3'-trimethyl ether	C23H22O7	410.13655	148335-03-9	knapsack	NA	NA
+FL5FDFNF0001	Velloquercetin 3,3',4'-trimethyl ether	C23H22O7	410.13655	139955-66-1	knapsack	NA	NA
+FLIA1LNI0006	Preferrugone;7-Hydroxy-2',5'-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone	C23H22O7	410.13655	130286-68-9	knapsack	NA	NA
+FLIAALNP0006	Toxicarolisoflavone	C23H22O7	410.13655	19017-96-0	knapsack	NA	NA
+FLIAECNI0001	Pre-5-methoxydurmillone;7-Hydroxy-5,6-dimethoxy-3',4'-methylenedioxy-8-prenylisoflavone	C23H22O7	410.13655	130286-71-4	knapsack	NA	NA
+FLIF1LNF0006	Amorphigenin;8'-Hydroxyrotenone	C23H22O7	410.13655	07/09/4208	knapsack	NA	NA
+FLIFALNF0001	Sumatrol	C23H22O7	410.13655	82-10-0	knapsack	NA	NA
+FLIFALNP0001	Toxicarol;alpha-Toxicarol;Toxicarin	C23H22O7	410.13655	82-09-7	knapsack	NA	NA
+FLIFHVNF0002	6-Hydroxyrotenone	C23H22O7	410.13655	111136-94-8<BR>111136-95-9	knapsack	NA	NA
+FLIFHXNP0001	Tephrosin	C23H22O7	410.13655	76-80-2	knapsack	NA	NA
+FLIFWXNF0006	Dehydrodalpanol;6a,12a-Didehydrodalpanol	C23H22O7	410.13655	30465-57-7	knapsack	NA	NA
+MJ057039	13-Hydroxyripariochromene A; Demethoxy, 13-(4-Hydroxy-3-methoxycinnamoyl) 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057040	2',3',4',5',7-Pentahydroxy-8-prenylisoflavone; 2',5'-Di-Me, 3',4'-methylene ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057041	3',4',5,6,7-Pentahydroxy-8-prenylisoflavone; 5,6-Di-Me, 3',4'-methylene ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057042	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; Penta-Me ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057043	5,10-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 3',4',8-Tri-Me ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057044	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxyphenylacetyl) 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057045	Amorphigenin 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057046	Amorphispironone 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057047	Austocystin B; 4-Me ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057048	Cudraxanthone O 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057049	Dalpanol; 6a,12a-Didehydro 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057050	Deguelin, 13R-Hydroxy 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057051	Ponganone II 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057052	Pongapinone A 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057053	Rotenolone 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057054	Rotenone; 6?-Hydroxy 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057055	Sumatrol 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057056	Tephrosin 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057057	Toxicarolisoflavone 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057058	Velloquercetin; 3,3',4'-Tri-Me ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057059	Velloquercetin; 3,3',5-Tri-Me ether 	C23H22O7	410.136553	NA	MeJP	NA	NA
+MJ057060	?-Toxicarol 	C23H22O7	410.136553	NA	MeJP	NA	NA
+C09490	Lactupicrin	C23H22O7	410.1366	NA	KEGG	NA	NA
+C10464	12a-Hydroxyrotenone	C23H22O7	410.1366	NA	KEGG	NA	NA
+C10532	Sumatrol	C23H22O7	410.1366	NA	KEGG	NA	NA
+C10535	Tephrosin	C23H22O7	410.1366	NA	KEGG	NA	NA
+C10537	Toxicarol	C23H22O7	410.1366	NA	KEGG	NA	NA
+MJ057061	Quinaben 	C24H18N4O3	410.13789	NA	MeJP	NA	NA
+PJ001038	NDY 	C17H22N4O8	410.1438	NA	PeJP	NA	NA
+PJ001039	SSSM 	C14H26N4O8S	410.1471	NA	PeJP	NA	NA
+MJ057062	Darusentan 	C22H22N2O6	410.147786	NA	MeJP	NA	NA
+CJneg0596	Cinnamoylglycine [(2M-H)]-	C22H21N2O6	410.148325	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0596	Cinnamoylglycine [(2M-H)]-	C22H21N2O6	410.148325	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ057063	Teopranitol 	C16H22N6O7	410.154997	NA	MeJP	NA	NA
+MJ057064	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 10,13-di-Ac 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057065	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8,13-di-Ac 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057066	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Propanoyl, 13-Ac 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057067	4,7,7',8',9,9'-Hexahydroxy-3,3'-dimethoxy-8,4'-oxyneolignan 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057068	Aloesinol, 7-Me ether 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057069	Brucein E; 2-Ketone 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057070	Celaenodendrolide I 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057071	Eurycomanol 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057072	Indaquassin C 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MJ057073	Picrodendrin S 	C20H26O9	410.157682	NA	MeJP	NA	NA
+MetaCyc03424	(2&beta;OH)-GA28 [(2&beta;OH)-gibberellin28;(2&beta;OH)-gibberellin 28;(2&beta;OH)-GA28;]	C20H26O9	410.157682	NA	metacyc	NA	NA
+C08752	Bruceine D	C20H26O9	410.1577	NA	KEGG	NA	NA
+C09799	Specionin	C20H26O9	410.1577	NA	KEGG	NA	NA
+PJ001040	NMF 	C18H26N4O5S	410.1624	NA	PeJP	NA	NA
+MJ057074	Pirlimycin 	C17H31ClN2O5S	410.16422	NA	MeJP	NA	NA
+MJ057075	Clobetasol 	C22H28ClFO4	410.166015	NA	MeJP	NA	NA
+MJ057076	Clocortolone 	C22H28ClFO4	410.166015	NA	MeJP	NA	NA
+MJ057077	Nicotinamide ribonucleoside; 5'-O-(2?-Acetoxy-3?-methylpentanoyl) 	C19H27N2O8(+)	410.168915	NA	MeJP	NA	NA
+C10071	1-Isomangostin	C24H26O6	410.1729	NA	KEGG	NA	NA
+C10080	Mangostin	C24H26O6	410.1729	NA	KEGG	NA	NA
+FLIA1LNI0005	Prebarbigerone;7,2',4',5'-Tetramethoxy-8-prenylisoflavone	C24H26O6	410.17293	130286-70-3	knapsack	NA	NA
+MJ057078	1,3,5,6-Tetrahydroxy-2,4-diprenylxanthone; 3-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057079	1,3,5,6-Tetrahydroxy-2,7-diprenylxanthone; 5-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057080	1,3,6,7-Tetrahydroxy-2,5-diprenylxanthone; 7-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057081	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 7-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057082	1-Isomangostin 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057083	2',4',5',7-Tetrahydroxy-8-prenylisoflavone; 2',4',5',7-Tetra-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057084	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 2''?,3''-Epoxide 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057085	2-(3,7-Dimethyl-2,6-octadienyl)-1,3,6,7-tetrahydroxyxanthone, 7-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057086	3,4-Epoxy-5-hydroxy-16,19-dioxobufa-14,20,22-trienolide 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057087	Calabaxanthone; 3,4-Dihydro, 9-hydroxy 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057088	Caloxanthone B 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057089	Cudraxanthone C 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057090	Cudraxanthone D 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057091	Cudraxanthone E 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057092	Egonol; O-(2-Methylbutanoyl) 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057093	Epoxyfarnochrol 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057094	Gerontoxanthone G; 5-Me ether 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057095	Paxanthonin 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057096	Rubraxanthone 	C24H26O6	410.172938	NA	MeJP	NA	NA
+MJ057097	Tipredane 	C22H31FO2S2	410.174949	NA	MeJP	NA	NA
+MJ057098	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6,8-Di-Me ether, 3-(3-methylthio-2Z-propenoyl) 	C21H30O6S	410.176309	NA	MeJP	NA	NA
+MJ057099	N,N,N-Trimethyl-3-[(1-oxoundecenyl)amino]-1-propanaminium(1+); Iodide 	C17H35IN2O	410.179407	NA	MeJP	NA	NA
+PJ001041	TQY 	C18H26N4O7	410.1802	NA	PeJP	NA	NA
+C08093	Oseltamivir phosphate	C16H28N2O4	410.1818	NA	KEGG	NA	NA
+MJ057100	Akuammiline; N4-Oxide 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057101	Brucine; Nb-Oxide 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057102	Chanofruticosine methyl ester 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057103	Corialstonine 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057104	Icajine; 10-Methoxy, 19?,20?-epoxide 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057105	Isobrucine; N19-Oxide 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057106	Kopsidasinine; Demethoxy 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057107	Kopsijasmine, 12-Hydroxy 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057108	Myrtoidine 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057109	N-Carbomethoxy-17?-hydroxykopsinine; 14,15-Didehydro 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057110	Picraline 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057111	Pseudostrychnine; 10,11-Dimethoxy 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057112	Quinaprilat 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057113	Reserpiline; 19,20-Didehydro 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057114	Vomicine; 11-Methoxy 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057115	Vomicine; 19?,20?-Epoxide, Me ether 	C23H26N2O5	410.184171	NA	MeJP	NA	NA
+MJ057116	Ochropposine 	C23H27N2O5(+)	410.184171	NA	MeJP	NA	NA
+C11073	Benfuracarb	C20H30N2O5S	410.1875	NA	KEGG	NA	NA
+MJ057117	6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 	C22H28F2O5	410.19048	NA	MeJP	NA	NA
+C14479	Flumethasone	C22H28F2O5	410.1905	NA	KEGG	NA	NA
+PJ001042	GPTH 	C17H26N6O6	410.1914	NA	PeJP	NA	NA
+MJ057118	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropanoyl), 1-Ac 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057119	1,6,8-Trihydroxy-15-oxo-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethyl-2-butenoyl)(Z-), Me ester 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057120	1-Hydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057121	10-Hydroxy-3,11(13)-guaiadien-12,6-olide, 10-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057122	10-Hydroxy-4(15),11(13)-guaiadien-12,6-olide, O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057123	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057124	2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, tri-Ac 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057125	2,3,4-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 11?,13-Dihydro, tri-Ac 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057126	3,10-Epoxy-1,3,8-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylpropanoyl), 1-Ac 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057127	3-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057128	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, ?-D-glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057129	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(3,4-Dihydroxy-2-methylenebutanoyl), Me ester 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057130	8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetriol; 1'',3,5-Tri-Ac 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057131	8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetriol; 1'',3,6-Tri-Ac 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057132	8-Hydroxy-4(15),11(13),10(14)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-O-?-D-glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057133	9-Hydroxy-4(15),10(14)-guaiadien-12,6-olide, 9-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057134	Alternaric acid 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057135	Nootkatin; ?2'-Isomer, 4'-hydroxy, 2-O-?-D-glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057136	Onitin; 4-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057137	Onitin; 9-O-?-D-Allopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057138	Onitin; 9-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057139	Pentalenic acid; ?-D-Glucopyranosyl ester, 6-deoxy 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057140	Pterosin A, 4-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057141	Pterosin D, 10-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057142	Pterosin D, 4-O-?-D-Glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057143	Pterosin Z; 14-Hydroxy, 4-O-D-glucopyranoside 	C21H30O8	410.194067	NA	MeJP	NA	NA
+MJ057144	Piperacetazine 	C24H30N2O2S	410.202798	NA	MeJP	NA	NA
+C09977	Vismione D	C25H30O5	410.2093	NA	KEGG	NA	NA
+FL1D1CNI0001	2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone	C25H30O5	410.20932	118026-33-8	knapsack	NA	NA
+FL1DAANI0001	4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone	C25H30O5	410.20932	156788-65-7	knapsack	NA	NA
+FL1DHXNI0001	Kanzonol Y;4,2',4',alpha-Tetrahydroxy-3,5'-diprenyldihydrochalcone	C25H30O5	410.20932	184584-87-0	knapsack	NA	NA
+FL1DQUNI0001	3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone	C25H30O5	410.20932	-	knapsack	NA	NA
+MJ057145	1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone, 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057146	1-(2,4-Dihydroxyphenyl)-3-[2-(3,7-dimethyl-2,6-octadienyl)-3,4-dihydroxyphenyl]-1-propanone 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057147	10-(1-Ethenyl-1,5-dimethyl-4-hexenyl)-5-hydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one; ?3'-Isomer, 5'-hydroxy, 5-Me ether 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057148	2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-(2-Methylbutanoyl) 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057149	2,4-Dihydroxy-6-(2-phenylethyl)-3-prenylbenzoic acid; 4-O-(3-Methylbutanoyl) 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057150	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(2,6-Dimethyl-2,6-octadienoyl)(E,E-) 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057151	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057152	3-[4-Hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-1-(2,4,6-trihydroxyphenyl)-1-propanone 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057153	4-Hydroxy-5-methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-2H-1-benzopyran-2-one; 8'-Oxo, 9'-hydroxy 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057154	Andilesin A; 6'-De-hydroxy, 6',7'-didehydro 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057155	Anditomin 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057156	Antibiotic A 80915G 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057157	Cometin A 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057158	Cometin B 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057159	Cyclolycoserone 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057160	Gypothamniol 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057161	Heliocide H1 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057162	Heliocide H2 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057163	Heliocide H3 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057164	Heliocide H4 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057165	Hippospongin B 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057166	Ircinin 1 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057167	Isolycoserone 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057168	Kanzonol Y 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057169	Lycoserone 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057170	Macrophyllol A 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057171	Macrophyllol B 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057172	Nic 12; 22,23-Dihydro, 22?-hydroxy 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057173	Spongionellin 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057174	Triptiliocoumarin; 5'-Epimer, 5'-hydroxy, 6'?,7'?-epoxide 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057175	Vismione F 	C25H30O5	410.209324	NA	MeJP	NA	NA
+MJ057176	Vismione L 	C25H30O5	410.209324	NA	MeJP	NA	NA
+3583	NA	DFGLEKI	410.20995	MH2+	Inhouse_peptide	NA	peptide
+HMDB05020	Risperidone	C23H27FN4O2	410.21179	http://www.hmdb.ca/metabolites/HMDB05020	HMDB	NA	NA
+HMDB05020	Risperidone	C23H27FN4O2	410.21179	HMDB05020	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05020	Risperidone	C23H27FN4O2	410.211792	NA	HMDB2010	NA	NA
+MJ057177	Risperidone 	C23H27FN4O2	410.211804	NA	MeJP	NA	NA
+PJ001043	TKY 	C19H30N4O6	410.2165	NA	PeJP	NA	NA
+PJ001044	PPPT 	C19H30N4O6	410.2166	NA	PeJP	NA	NA
+MJ057178	Terciprazine 	C22H29F3N2O2	410.218112	NA	MeJP	NA	NA
+MJ057179	Ajmalinimine 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057180	Draquinolol 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057181	Heyneanine; 19-Epimer, 3-(2-Oxopropyl) 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057182	Hippospongin E 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057183	Polyneuridine; 19S,20-Dihydro, N1-Me, Ac 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057184	Pyrifoline; 6-Demethoxy 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057185	Retuline; 16-Epimer, 11-methoxy, O-Ac 	C24H30N2O4	410.220557	NA	MeJP	NA	NA
+MJ057186	Polyneuridine; 12-Methoxy, N1,N4-di-Me 	C24H31N2O4(+)	410.220557	NA	MeJP	NA	NA
+C14029	Trimipramine maleate	C20H26N2	410.2206	NA	KEGG	NA	NA
+C14030	Transferred to D02248	C20H26N2	410.2206	NA	KEGG	NA	NA
+C14031	Transferred to D02249	C20H26N2	410.2206	NA	KEGG	NA	NA
+C14032	Transferred to D02250	C20H26N2	410.2206	NA	KEGG	NA	NA
+C14033	Transferred to D02251	C20H26N2	410.2206	NA	KEGG	NA	NA
+8068	synthetic peptide	RHV	410.227	antioxidative	Inhouse_peptide	NA	peptide
+PJ001045	AALH 	C18H30N6O5	410.2278	NA	PeJP	NA	NA
+MJ057187	1,10,17-Trihydroxymelfusanolide; 17-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057188	10(20)-Grayanotoxene-3,5,6,12,14,16-hexol, 14-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057189	17-Acetoxy-1,6,7-trihydroxymelcantholide 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057190	2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 14-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057191	2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 6-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057192	2,3-Epoxy-5,6,7,10,16-grayanotoxanepentol, 7-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057193	3,5,6,10,14,16-Grayanotoxanehexol, 3-Ketone, 14-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057194	3-Hydroxy-1,6,10-phytatrien-9-one; O-(2-O-Acetyl-?-D-xylopyranoside) 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057195	6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 12'-Deoxy, 13-hydroxy, 2'-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057196	6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 2'-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057197	8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 7-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057198	8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 6-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057199	8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 7-Ac 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057200	Antibiotic FR 111142 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057201	Javanicin Q; 12-Me ether, 16-epimer 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057202	Javanicin Z; 16-Alcohol (hemiacetal) 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057203	Javanicin Z; 2?,3-Dihydro 	C22H34O7	410.230453	NA	MeJP	NA	NA
+MJ057204	Nigakihemiacetal A 	C22H34O7	410.230453	NA	MeJP	NA	NA
+C08772	Nigakihemiacetal A	C22H34O7	410.2305	NA	KEGG	NA	NA
+C09076	Coleonol	C22H34O7	410.2305	NA	KEGG	NA	NA
+MJ057205	Kalihinol A; 10-Formamide 	C22H35ClN2O3	410.23362	NA	MeJP	NA	NA
+MJ057206	Buxpapamine 	C28H30N2O	410.235813	NA	MeJP	NA	NA
+PJ001046	VHR 	C17H30N8O4	410.239	NA	PeJP	NA	NA
+8308	ACE inhibitor	VVPP	410.24	NA  ;SYN:Homo-L-arginine; Homoarginine; L-Homoarginine; N6-(Aminoiminomethyl)-L-lysine; N6-amidino-L-Lysine; N6-amidino-LysineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+C04036	1-Palmitoylglycerol 3-phosphate	C19H39O7P	410.2433	NA	KEGG	NA	NA
+MetaCyc03425	1-palmitoylglycerol 3-phosphate []	C19H39O7P1	410.24334	NA	metacyc	NA	NA
+HMDB07849	LPA(0:0/16:0)	C19H39O7P	410.243347	NA	HMDB2010	NA	NA
+HMDB07853	LPA(16:0/0:0)	C19H39O7P	410.243347	NA	HMDB2010	NA	NA
+HMDB00327	1-Palmitoyl lysophosphatidic acid	C19H39O7P	410.24335	http://www.hmdb.ca/metabolites/HMDB00327	HMDB	NA	NA
+HMDB00327	1-Palmitoyl lysophosphatidic acid	C19H39O7P	410.24335	HMDB00327	PFEM_hmdb_metabocards_official	NA	NA
+MJ057207	1-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one 	C26H34O4	410.245709	NA	MeJP	NA	NA
+MJ057208	Kazinol F; 2'-Me ether 	C26H34O4	410.245709	NA	MeJP	NA	NA
+MJ057209	Strongylophorine 2 	C26H34O4	410.245709	NA	MeJP	NA	NA
+MJ057210	Tridentoquinone 	C26H34O4	410.245709	NA	MeJP	NA	NA
+PJ001047	PPVV 	C20H34N4O5	410.2529	NA	PeJP	NA	NA
+MJ057211	Tilorone 	C25H34N2O3	410.256942	NA	MeJP	NA	NA
+C03641	Sterol 3-beta-D-glucoside	C23H38O6	410.2668	NA	KEGG	NA	NA
+MJ057212	10-Aromadendranol, O-(2-O-Acetyl-?-D-fucopyranoside) 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057213	4-Eudesmen-11-ol, O-(2-O-Acetyl-?-D-fucopyranoside) 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057214	9,11,15-Trihydroxyprosta-5,13-dienoic acid, 11-Ac, Me ester 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057215	9,11,15-Trihydroxyprosta-5,13-dienoic acid, 9-Ac, Me ester 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057216	Australifungin; 3''-Alcohol 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057217	Betaenone D; 1''-Deoxy, 3'-Ac 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057218	Dihydrocompactin acid 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057219	Ornoprostil 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057220	Pregnane-3,12,14,17,20-pentol, 12-Ac 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057221	Protylonolide; 16-Hydroxy 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057222	Protylonolide; 19-Hydroxy 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057223	Protylonolide; 23-Hydroxy 	C23H38O6	410.266838	NA	MeJP	NA	NA
+MJ057224	2,2'-[4,7-Phenanthroline-3,8-diylbis(oxy)]bis[N,N-diethylethanamine] 	C24H34N4O2	410.268176	NA	MeJP	NA	NA
+MJ057225	Mapinastine 	C23H34N6O	410.279409	NA	MeJP	NA	NA
+MJ057226	18,22:22,25-Diepoxycholesta-1,4-dien-3-one 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057227	4,19-Epoxy-3-hydroxy-21-norergosta-7,16,24(28)-trien-20-one 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057228	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; (S)-4-Isopropyl-1-methylcyclohexen-4-yl ester 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057229	4-Hydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzoic acid 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057230	5,6-Epoxy-5,6-dihydro-10'-apo-?,?-carotene-3,10'-diol 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057231	5,8-Epoxy-5,8-dihydro-10'-apo-?,?-carotene-3,10'-diol 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057232	Azafrin; 10'-Aldehyde 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057233	Cabraleahydroxylactone; 1,2,22,23-Tetradehydro, 3-ketone 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057234	Cacospongin D 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057235	Jaspic acid 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057236	Meteogenin 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057237	Norethisterone; Heptanoyl 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057238	Sargadiol II 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057239	Sargaol; 6'-Hydroxy 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057240	Sargaquinone; 9'-Hydroxy 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057241	Sinensiaxanthin 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057242	?-Tocotrienoloic acid, 13'-Aldehyde 	C27H38O3	410.282095	NA	MeJP	NA	NA
+MJ057243	?-Tocotrienoloic acid, 3,4-Didehydro, 13'-alcohol 	C27H38O3	410.282095	NA	MeJP	NA	NA
+C14486	Norethindrone enanthate	C27H38O3	410.2821	NA	KEGG	NA	NA
+MJ057244	Mycaperoxide A 	C24H42O5	410.303224	NA	MeJP	NA	NA
+MJ057245	Mycaperoxide B 	C24H42O5	410.303224	NA	MeJP	NA	NA
+MJ057246	Mycaperoxide C 	C24H42O5	410.303224	NA	MeJP	NA	NA
+MJ057247	Glutamine, N2-(9Z-Octadecenoyl) 	C23H42N2O4	410.314457	NA	MeJP	NA	NA
+MJ057248	3-Hydroxyergosta-5,8,22-trien-7-one 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057249	4,7,10,13,16,19,22,25-Octacosaoctaenoic acid, 25,26-Dihydro 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057250	6-Hydroxy-4,7,22-ergostatrien-3-one 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057251	8-Hydroxyergosta-4,6,22-trien-3-one 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057252	?-Tocotrienol 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057253	Astrogorgiadiol; 24-Methyl, 22,23-didehydro(22E-), 9-ketone 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057254	Calicoferol F; 9-Ketone 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057255	Ergosta-7,22-diene-3,6-diol, 3,6-Diketone 	C28H42O2	410.31848	NA	MeJP	NA	NA
+MJ057256	Solanoquinone 	C28H42O2	410.31848	NA	MeJP	NA	NA
+C14154	beta-Tocotrienol	C28H42O2	410.3185	NA	KEGG	NA	NA
+C14155	gamma-Tocotrienol	C28H42O2	410.3185	NA	KEGG	NA	NA
+MJ057257	Solanocastrine 	C27H42N2O	410.329713	NA	MeJP	NA	NA
+HMDB11553	MG(0:0/22:2(13Z,16Z)/0:0)	C25H46O4	410.3396	NA	HMDB2010	NA	NA
+HMDB11583	MG(22:2(13Z,16Z)/0:0/0:0)	C25H46O4	410.3396	NA	HMDB2010	NA	NA
+HMDB01023	4,4-Dimethylcholesta-8,14,24-trienol	C29H46O	410.354858	NA	HMDB2010	NA	NA
+HMDB06852	5-Dehydroavenasterol	C29H46O	410.354858	NA	HMDB2010	NA	NA
+HMDB06928	Delta 8,14 -Sterol	C29H46O	410.354858	NA	HMDB2010	NA	NA
+HMDB01023	4,4-Dimethylcholesta-8,14,24-trienol	C29H46O	410.35486	http://www.hmdb.ca/metabolites/HMDB01023	HMDB	NA	NA
+HMDB06844	delta8,14 -Sterol	C29H46O	410.35486	http://www.hmdb.ca/metabolites/HMDB06844	HMDB	NA	NA
+HMDB06852	5-Dehydroavenasterol	C29H46O	410.35486	http://www.hmdb.ca/metabolites/HMDB06852	HMDB	NA	NA
+HMDB06924	4,4-dimethyl-cholesta-8,12,24-trienol 	C29H46O	410.35486	http://www.hmdb.ca/metabolites/HMDB06924	HMDB	NA	NA
+HMDB06928	delta 8,14 -Sterol	C29H46O	410.35486	http://www.hmdb.ca/metabolites/HMDB06928	HMDB	NA	NA
+HMDB01023	4,4-Dimethylcholesta-8,14,24-trienol	C29H46O	410.35486	HMDB01023	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06844	delta8,14 -Sterol	C29H46O	410.35486	HMDB06844	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06852	5-Dehydroavenasterol	C29H46O	410.35486	HMDB06852	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06924	4,4-dimethyl-cholesta-8,12,24-trienol 	C29H46O	410.35486	HMDB06924	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06928	delta 8,14 -Sterol	C29H46O	410.35486	HMDB06928	PFEM_hmdb_metabocards_official	NA	NA
+MJ057258	14-Methyl-9,19-cycloergost-24(28)-en-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057259	14-Methyl-9,19-cycloergost-25-en-3-ol, 3-Ketone 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057260	23-Methylergosta-5,7,22-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057261	25-Methylergosta-5,7,22-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057262	26-Methylergosta-4,24(28)-dien-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057263	26-Nor-14-friedelen-3-ol, 3-Ketone 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057264	28-Nor-12-oleanen-3-ol, 3-Ketone 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057265	28-Nor-20(29)-lupen-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057266	29-Norcycloarta-3,24-dien-23-one; 24,25-Dihydro 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057267	30-Nor-20(29)-friedelen-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057268	4,14-Dimethyl-9,19-cyclocholest-20-en-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057269	4,4-Dimethylcholesta-8,14,24-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057270	4-Methylergosta-8,14,24(28)-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057271	Calysterol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057272	Conicasterol; 3-Ketone 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057273	Cyclonervilasterol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057274	Isocalysterol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057275	Stigmasta-3,5-dien-7-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057276	Stigmasta-4,22-dien-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057277	Stigmasta-4,23-dien-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057278	Stigmasta-4,24(28)-dien-3-one; 24(28)E-form 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057279	Stigmasta-4,24-dien-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057280	Stigmasta-4,6-dien-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057281	Stigmasta-5,22,25-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057282	Stigmasta-5,24(28),28-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057283	Stigmasta-5,7,22-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057284	Stigmasta-5,7,24(28)-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057285	Stigmasta-7,16,25-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057286	Stigmasta-7,22,25-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057287	Stigmasta-7,22-dien-3-one 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057288	Stigmasta-8(14),15,24(28)-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MJ057289	Stigmasta-8,14,24(28)-trien-3-ol 	C29H46O	410.354866	NA	MeJP	NA	NA
+MetaCyc03426	4,4-dimethyl-5-&alpha;-cholesta-8,14,24-trien-3-&beta;-ol [4,4-dimethyl-cholesta-8,12,24-trienol;17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;4,4-dimethyl-5&alpha;-cholesta-8,14,24-trien-3&beta;-ol;]	C29H46O1	410.354866	NA	metacyc	NA	NA
+MetaCyc03427	(4&alpha;)-methyl-(5&alpha;)-ergosta-8,14,24(28)-trien-3&beta;-ol []	C29H46O1	410.354866	NA	metacyc	NA	NA
+MetaCyc03428	5-dehydroavenasterol []	C29H46O1	410.354866	NA	metacyc	NA	NA
+C11455	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol	C29H46O	410.3549	NA	KEGG	NA	NA
+C11508	4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol	C29H46O	410.3549	NA	KEGG	NA	NA
+C15783	5-Dehydroavenasterol	C29H46O	410.3549	NA	KEGG	NA	NA
+MJ057290	11-Hydroxy-21-hexacosenoic acid 	C26H50O3	410.375995	NA	MeJP	NA	NA
+MJ057291	14-Oxotetracosanoic acid; Et ester 	C26H50O3	410.375995	NA	MeJP	NA	NA
+MJ057292	9-Hydroxy-21-hexacosenoic acid 	C26H50O3	410.375995	NA	MeJP	NA	NA
+HMDB00256	Squalene	C30H50	410.39124	http://www.hmdb.ca/metabolites/HMDB00256	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00256	Squalene	C30H50	410.39124	http://www.hmdb.ca/metabolites/HMDB00256	HMDB	NA	NA
+HMDB06837	Hopanoid	C30H50	410.39124	http://www.hmdb.ca/metabolites/HMDB06837	HMDB	NA	NA
+HMDB00256	Squalene	C30H50	410.39124	http://www.hmdb.ca/metabolites/HMDB00256	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00256	Squalene	C30H50	410.39124	HMDB00256	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06837	Hopanoid	C30H50	410.39124	HMDB06837	PFEM_hmdb_metabocards_official	NA	NA
+MJ057293	1(10)-Adianene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057294	12,21-Baccharadiene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057295	12-Neohopene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057296	12-Oleanene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057297	12-Ursene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057298	13(18)-Neohopene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057299	13(18)-Oleanene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057300	14(27),17,21-Malabaricatriene; 13?H-form 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057301	14(27),17,21-Malabaricatriene; 13àH-form 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057302	14-Serratene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057303	14-Taraxerene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057304	16-Hopene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057305	17(21)-Hopene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057306	18-Oleanene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057307	2-Friedelene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057308	20(29)-Lupene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057309	20-Taraxastene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057310	21-Hopene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057311	22(29)-Hopene; 21?H-form 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057312	22(29)-Hopene; 21àH-form 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057313	3,21-Shionadiene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057314	3-Filicene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057315	3-Friedelene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057316	4(23)-Filicene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057317	5-Adianene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057318	7,13,17,21-Polypodatetraene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057319	7,17,21-Podiodatriene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057320	7,21-Lemmaphylladiene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057321	7-Fernene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057322	7-Multiflorene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057323	8(26),14(27)-Onoceradiene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057324	8-Fernene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057325	8-Multiflorene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057326	9(11)-Fernene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057327	9(11)-Multiflorene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057328	Adiantutirucallene A 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057329	Aonena-3,24-diene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057330	C30 Botryococcene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057331	Dammara-13(17),24-diene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057332	Dammara-17(20),24-diene; 17(20)E-form 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057333	Dammara-17(20),24-diene; 17(20)Z-form 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057334	Dammara-20,24-diene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057335	Eupha-7,24-diene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057336	Preoleanatetraene 	C30H50	410.391251	NA	MeJP	NA	NA
+MJ057337	Squalene 	C30H50	410.391251	NA	MeJP	NA	NA
+MetaCyc03429	squalene []	C30H50	410.391252	111-02-4	metacyc	NA	NA
+MetaCyc03430	hop-22(29)-ene []	C30H50	410.391252	NA	metacyc	NA	NA
+HMDB00256	Squalene	C30H50	410.391266	NA	HMDB2010	NA	NA
+C00751	Squalene	C30H50	410.3913	NA	KEGG	NA	NA
+C00752	Thrombin	C30H50	410.3913	NA	KEGG	NA	NA
+C06310	Diploptene	C30H50	410.3913	NA	KEGG	NA	NA
+C08625	Fernene	C30H50	410.3913	NA	KEGG	NA	NA
+HMDB02063	Heptacosanoic acid	C27H54O2	410.41238	http://www.hmdb.ca/metabolites/HMDB02063	HMDB	NA	NA
+MJ057338	24-Methylhexacosanoic acid 	C27H54O2	410.41238	NA	MeJP	NA	NA
+MJ057339	25-Methylhexacosanoic acid 	C27H54O2	410.41238	NA	MeJP	NA	NA
+MJ057340	4,6-Heptacosanedione; 4-Alcohol 	C27H54O2	410.41238	NA	MeJP	NA	NA
+MJ057341	6,8-Heptacosanedione; 6-Alcohol 	C27H54O2	410.41238	NA	MeJP	NA	NA
+MJ057342	Heptacosanoic acid 	C27H54O2	410.41238	NA	MeJP	NA	NA
+HMDB02063	Heptacosanoic acid	C27H54O2	410.41238	HMDB02063	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02063	Heptacosanoic acid	C27H54O2	410.412384	NA	HMDB2010	NA	NA
+MJ057343	1-Methoxy-2,12-dimethylpentacosane 	C28H58O	410.448766	NA	MeJP	NA	NA
+MJ057344	1-Methoxy-2,14-dimethylpentacosane 	C28H58O	410.448766	NA	MeJP	NA	NA
+MJ057345	1-Methoxy-2,22-dimethylpentacosane 	C28H58O	410.448766	NA	MeJP	NA	NA
+MJ057346	1-Methoxy-24-methylhexacosane 	C28H58O	410.448766	NA	MeJP	NA	NA
+MJ057347	1-Octacosanol 	C28H58O	410.448766	NA	MeJP	NA	NA
+MJ057348	10-Octacosanol 	C28H58O	410.448766	NA	MeJP	NA	NA
+MJ057349	14-Octacosanol 	C28H58O	410.448766	NA	MeJP	NA	NA
+C08387	Octacosan-1-ol	C28H58O	410.4488	NA	KEGG	NA	NA
+MJ057350	Pyrrolomycin F; Pyrrolomycin F3 	C11H5Br2Cl2NO2	410.806409	NA	MeJP	NA	NA
+MJ057351	Discorhabdin A; 4,5,16,17-Tetradehydro 	C18H10BrN3O2S	410.967709	NA	MeJP	NA	NA
+MJ057352	Aplysinketal A 	C13H19Br2NO4	410.968083	NA	MeJP	NA	NA
+MJ057353	Iomazenil 	C15H14IN3O3	411.007984	NA	MeJP	NA	NA
+MJ057354	2-[(4-Chlorophenoxy)methyl]-7a-(3,4-dichlorophenyl)tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one 	C19H16Cl3NO3	411.019576	NA	MeJP	NA	NA
+C10837	Turgorin	C13H15O13S	411.0233	NA	KEGG	NA	NA
+HMDB01508	dADP	C10H15N5O9P2	411.03448	http://www.hmdb.ca/metabolites/HMDB01508	HMDB	NA	NA
+HMDB01508	dADP	C10H15N5O9P2	411.03448	HMDB01508	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01508	dADP	C10H15N5O9P2	411.034485	NA	HMDB2010	NA	NA
+C00206	dADP	C10H15N5O9P2	411.0345	NA	KEGG	NA	NA
+MJ057355	dADP 	C10H15N5O9P2	411.0345	NA	MeJP	NA	NA
+MetaCyc03431	dADP [deoxyadenosine-diphosphate;2'-deoxyadenosine-5'-diphosphate;]	C10H15N5O9P2	411.0345	06/08/2793	metacyc	NA	NA
+C11094	Carfentrazone-ethyl	C15H14Cl2F3N3O3	411.0364	NA	KEGG	NA	NA
+MJ057356	Lintitript 	C20H14ClN3O3S	411.044439	NA	MeJP	NA	NA
+MJ057357	Heteronium(1+); Bromide 	C18H22BrNO3S	411.050376	NA	MeJP	NA	NA
+C16855	Gonyautoxin 1	C10H17N7O9S	411.0808	NA	KEGG	NA	NA
+MJ057358	Oxitropium(1+); Bromide 	C19H26BrNO4	411.10452	NA	MeJP	NA	NA
+MJ057359	Pancratistatin, 1-O-(3-Hydroxybutanoyl) 	C18H21NO10	411.116545	NA	MeJP	NA	NA
+PJ001048	DDY 	C17H21N3O9	411.1278	NA	PeJP	NA	NA
+MJ057360	Oxo[[2,2'-(1,3-propanediyldiimino)bis[2-methyl-3-pentanone]dioximato](3-)-N,N',N'',N''']technetium 	C15H29N4O3Tc	411.131181	NA	MeJP	NA	NA
+MJ057361	Antibiotic FD 838 	C22H21NO7	411.131802	NA	MeJP	NA	NA
+MJ057362	Cetocycline 	C22H21NO7	411.131802	NA	MeJP	NA	NA
+MJ057363	Corynoline, 5?-Formyloxy 	C22H21NO7	411.131802	NA	MeJP	NA	NA
+PJ001049	MMM 	C15H29N3O4S3	411.132	NA	PeJP	NA	NA
+MetaCyc03432	hyaluronate [hyaluronic acid;&beta;-N-acetyl-D-glucosaminyl (1,4)&beta;-D-glucuronosyl (1,3) ]n;]	C15H25N1O12	411.137675	9004-61-9	metacyc	NA	NA
+MJ057364	1-Cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid 	C19H20F3N3O4	411.14059	NA	MeJP	NA	NA
+MJ057365	Hexopyrronium(1+); Bromide 	C20H30BrNO3	411.140906	NA	MeJP	NA	NA
+MJ057366	Ipratropium(1+), Bromide 	C20H30BrNO3	411.140906	NA	MeJP	NA	NA
+MJ057367	Altanserin 	C22H22FN3O2S	411.141675	NA	MeJP	NA	NA
+C11734	Altanserin	C22H22FN3O2S	411.1417	NA	KEGG	NA	NA
+PJ001050	DMF 	C18H25N3O6S	411.1464	NA	PeJP	NA	NA
+MJ057368	Karnamicin A3 	C18H25N3O6S	411.146406	NA	MeJP	NA	NA
+CJneg0597	Cinnamoylglycine [(2M-H)]- (13C)	C2113CH21N2O6	411.151725	C18rt(min)=7.03 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0597	Cinnamoylglycine [(2M-H)]- (13C)	C2113CH21N2O6	411.151725	C18rt(min)=7.03 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ057369	N-[2-(Mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]methionine, S-Ac; Et ester 	C20H29NO4S2	411.153799	NA	MeJP	NA	NA
+MJ057370	Coelenteramide 	C25H21N3O3	411.158291	NA	MeJP	NA	NA
+MetaCyc03433	oxidized oplophorus luciferin []	C25H21N3O3	411.158292	NA	metacyc	NA	NA
+MetaCyc03434	oxidized renilla luciferin []	C25H21N3O3	411.158292	NA	metacyc	NA	NA
+C15038	Oxidized Oplophorus luciferin	C25H21N3O3	411.1583	NA	KEGG	NA	NA
+MJ057371	Antibiotic FR 900452 	C22H25N3O3S	411.161662	NA	MeJP	NA	NA
+C15665	Ro 18-5364	C22H25N3O3S	411.1617	NA	KEGG	NA	NA
+PJ001051	TEY 	C18H25N3O8	411.1642	NA	PeJP	NA	NA
+MJ057372	7-Formyldehydrothalicsimidine 	C23H25NO6	411.168187	NA	MeJP	NA	NA
+MJ057373	Fumarophycine; Me ether 	C23H25NO6	411.168187	NA	MeJP	NA	NA
+MJ057374	Isotylocrebrine, 14?-Hydroxy, 3-O-de-Me, N-oxide 	C23H25NO6	411.168187	NA	MeJP	NA	NA
+MJ057375	Sultroponium 	C20H29NO6S	411.171558	NA	MeJP	NA	NA
+MJ057376	Arginylthreonine, N2-(2,3-Dihydroxybenzoyl) 	C17H25N5O7	411.175398	NA	MeJP	NA	NA
+MJ057377	Cyclotryprostatin A 	C22H25N3O5	411.17942	NA	MeJP	NA	NA
+MJ057378	Fumitremorgin C; Natural-form, 12,13-Dihydroxy 	C22H25N3O5	411.17942	NA	MeJP	NA	NA
+MJ057379	Tasosartan 	C23H21N7O	411.180758	NA	MeJP	NA	NA
+MJ057380	6-(1-Hydroxyethyl)-3-[[5-(hydroxy-3-pyrrolidinylmethyl)-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C19H29N3O5S	411.182791	NA	MeJP	NA	NA
+PJ001052	VMY 	C19H29N3O5S	411.1828	NA	PeJP	NA	NA
+MJ057381	Fluvastatin 	C24H26FNO4	411.184586	NA	MeJP	NA	NA
+C07014	Fluvastatin	C24H26FNO4	411.1846	NA	KEGG	NA	NA
+PJ001053	QQH 	C16H25N7O6	411.1866	NA	PeJP	NA	NA
+PJ001054	GAQH 	C16H25N7O6	411.1867	NA	PeJP	NA	NA
+7629	ACE inhibitor from k-CN (fr, 12-17)	EKDERF	411.18695	MH2+	Inhouse_peptide	NA	peptide
+MJ057382	Jacoline; O12-Ac 	C20H29NO8	411.189316	NA	MeJP	NA	NA
+MJ057383	Retronecine 9-(2,3-dihydroxy-2-hydroxymethylbutanoate) 7-senecioate; 1'''-Deoxy, O3''-Ac, N-oxide 	C20H29NO8	411.189316	NA	MeJP	NA	NA
+MJ057384	Piroxantrone 	C21H25N5O4	411.190654	NA	MeJP	NA	NA
+MJ057385	Teloxantrone 	C21H25N5O4	411.190654	NA	MeJP	NA	NA
+MJ057386	Dobupride 	C20H30ClN3O4	411.192484	NA	MeJP	NA	NA
+C06807	Acetophenazine	C23H29N3O2S	411.198	NA	KEGG	NA	NA
+MJ057387	Acetophenazine 	C23H29N3O2S	411.198047	NA	MeJP	NA	NA
+MJ057388	13a-Hydroxysepticine 	C24H29NO5	411.204573	NA	MeJP	NA	NA
+MJ057389	2-Ethyl-4-[[2'-(1H-tetrazol-5-yl)[1,1-biphenyl]-4-yl]methoxy]quinoline; 5,6,7,8-Tetrahydro 	C25H25N5O	411.20591	NA	MeJP	NA	NA
+7496	ACE inhibitor (from bovine as1-CN)	FPEVFGK	411.2065	MH2+	Inhouse_peptide	NA	peptide
+PJ001055	APPQ 	C18H29N5O6	411.2118	NA	PeJP	NA	NA
+PJ001056	VFF 	C23H29N3O4	411.2158	NA	PeJP	NA	NA
+PJ001057	QKH 	C17H29N7O5	411.223	NA	PeJP	NA	NA
+C10341	Lasiocarpine	C21H33NO7	411.2257	NA	KEGG	NA	NA
+MJ057390	Lasiocarpine 	C21H33NO7	411.225702	NA	MeJP	NA	NA
+EUR811	Lyso PE 14:0 [M-H-CH3]-	C19H40NO7P	411.238592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR811	Lyso PE 14:0 [M-H-CH3]-	C19H40NO7P	411.238592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR811	Lyso PE 14:0 [M-H-CH3]-	C19H40NO7P	411.238592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR811	Lyso PE 14:0 [M-H-CH3]-	C19H40NO7P	411.238592	masses lipides attendues	Inhousejuil11	NA	NA
+MJ057391	Anopterimine; N-Oxide 	C25H33NO4	411.240958	NA	MeJP	NA	NA
+MJ057392	Etorphine 	C25H33NO4	411.240958	NA	MeJP	NA	NA
+C11793	Etorphine	C25H33NO4	411.241	NA	KEGG	NA	NA
+PJ001058	APPK 	C19H33N5O5	411.2482	NA	PeJP	NA	NA
+PJ001059	KKH 	C18H33N7O4	411.2594	NA	PeJP	NA	NA
+MJ057393	Antibiotic Sch 382582; De(methylthio) 	C21H37N3O5	411.273321	NA	MeJP	NA	NA
+MJ057394	Brachystamide B 	C26H37NO3	411.277344	NA	MeJP	NA	NA
+MJ057395	Fesoterodine 	C26H37NO3	411.277344	NA	MeJP	NA	NA
+MJ057396	Octibenzonium(1+) 	C26H38NO3(+)	411.277344	NA	MeJP	NA	NA
+HMDB13335	3-Hydroxyhexadecadienoylcarnitine	C23H41NO5	411.298462	NA	HMDB2010	NA	NA
+C10798	Cyclopamine	C27H41NO2	411.3137	NA	KEGG	NA	NA
+MJ057397	Ebeinone 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057398	Edpetisine 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057399	Homobuxaquamarine 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057400	Jervine; 11-Deoxo 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057401	Korseverine 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057402	Solasodenone 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057403	Tomatillidine 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057404	Veralobine 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057405	Veramine 	C27H41NO2	411.313729	NA	MeJP	NA	NA
+MJ057406	15-Azasterol 	C28H45NO	411.350115	NA	MeJP	NA	NA
+HMDB06351	Vaccenyl carnitine	C25H49NO3	411.37125	http://www.hmdb.ca/metabolites/HMDB06351	HMDB	NA	NA
+HMDB06351	Vaccenyl carnitine	C25H49NO3	411.37125	HMDB06351	PFEM_hmdb_metabocards_official	NA	NA
+3737	NA	YPFGFHG	411.6755	MH2+	Inhouse_peptide	NA	peptide
+3105	fragment of anafylatoxin C3a:70-77	ASHLGLAR	411.727	MH2+	Inhouse_peptide	NA	peptide
+3812	smooth muscles contracting peptide	ASHLGLAR	411.727	MH2+	Inhouse_peptide	NA	peptide
+MJ057407	Iodofenphos 	C8H8Cl2IO3PS	411.83535	NA	MeJP	NA	NA
+MJ057408	2,10-Dibromo-3-chloro-7(14)-chamigren-9-ol 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057409	2,10-Dibromo-3-chloro-7-chamigren-9-ol 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057410	2,10-Dibromo-3-chloro-7-chamigrene; ?7(14)-Isomer, 8?-Hydroxy 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057411	3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057412	4,10-Dibromo-3-chloro-7,8-epoxychamigrane 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057413	Laucapyranoid A 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057414	Perforenol 	C15H23Br2ClO	411.980418	NA	MeJP	NA	NA
+MJ057415	Spiroxin D; 1-Ketone, 7-chloro, 8'-hydroxy 	C20H9ClO8	411.998594	NA	MeJP	NA	NA
+FL5FECNSS001	Quercetagetin 3-methyl ether 7-O-sulfate	C16H12O11S	412.01003	76060-27-0	knapsack	NA	NA
+FL5FECNSS002	Patuletin 3-O-sulfate	C16H12O11S	412.01003	74545-44-1	knapsack	NA	NA
+FL5FECNSS003	Patuletin 7-O-sulfate	C16H12O11S	412.01003	33429-81-1	knapsack	NA	NA
+MJ057416	3',4',5,6,7-Pentahydroxy-3-methoxyflavone; 7-O-Sulfate 	C16H12O11S	412.010031	NA	MeJP	NA	NA
+MJ057417	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-Sulfate 	C16H12O11S	412.010031	NA	MeJP	NA	NA
+MJ057418	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-Sulfate 	C16H12O11S	412.010031	NA	MeJP	NA	NA
+MJ057419	Norgangaleoidin; 8-Me ether 	C18H14Cl2O7	412.011658	NA	MeJP	NA	NA
+MJ057420	Norisonotatic acid; 2,4-Dichloro, Me ester 	C18H14Cl2O7	412.011658	NA	MeJP	NA	NA
+C01344	dIDP	C10H14N4O10P2	412.0185	NA	KEGG	NA	NA
+MJ057421	dIDP 	C10H14N4O10P2	412.018515	NA	MeJP	NA	NA
+HMDB03536	dIDP	C10H14N4O10P2	412.01852	http://www.hmdb.ca/metabolites/HMDB03536	HMDB	NA	NA
+HMDB03536	dIDP	C10H14N4O10P2	412.01852	HMDB03536	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03536	dIDP	C10H14N4O10P2	412.018524	NA	HMDB2010	NA	NA
+MJ057422	Phomalirazine 	C17H20N2O6S2	412.076277	NA	MeJP	NA	NA
+MJ057423	Arthraxin 	C21H16O9	412.079432	NA	MeJP	NA	NA
+MJ057424	Mitorubrinic acid 	C21H16O9	412.079432	NA	MeJP	NA	NA
+MJ057425	Homosulphasalazine 	C19H16N4O5S	412.08414	NA	MeJP	NA	NA
+MJ057426	1-Ethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole 	C19H16F4N2O2S	412.086861	NA	MeJP	NA	NA
+MJ057427	Gelliusine D 	C20H21BrN4O	412.089873	NA	MeJP	NA	NA
+MJ057428	Gelliusine E 	C20H21BrN4O	412.089873	NA	MeJP	NA	NA
+MJ057429	Kinamycin F; 2-Ac 	C20H16N2O8	412.090665	NA	MeJP	NA	NA
+MJ057430	Kinamycin F; 3-Ac 	C20H16N2O8	412.090665	NA	MeJP	NA	NA
+MJ057431	Kinamycin F; 4-Ac 	C20H16N2O8	412.090665	NA	MeJP	NA	NA
+PJ001060	GCCM 	C13H24N4O5S3	412.0909	NA	PeJP	NA	NA
+MJ057432	2-Acetyl-3-methyl-1,8-naphthalenediol; 4-Chloro, 8-O-?-D-glucopyranoside 	C19H21ClO8	412.092495	NA	MeJP	NA	NA
+MJ057433	Botryllazine A 	C24H16N2O5	412.105921	NA	MeJP	NA	NA
+PJ001061	STCC 	C13H24N4O7S2	412.1087	NA	PeJP	NA	NA
+MJ057434	Ziprasidone 	C21H21ClN4OS	412.112459	NA	MeJP	NA	NA
+C07568	Ziprasidone	C21H21ClN4OS	412.1125	NA	KEGG	NA	NA
+C10875	Podophyllotoxone	C22H20O8	412.1158	NA	KEGG	NA	NA
+C12424	Aklavinone	C22H20O8	412.1158	NA	KEGG	NA	NA
+FL5FG9NI0001	(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid	C22H20O8	412.11581	221231-21-6	knapsack	NA	NA
+FL631CNC0002	4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol	C22H20O8	412.11581	126655-04-7	knapsack	NA	NA
+MJ057435	1,8-Dihydroxy-3-(methoxycarbonylmethyl)-2-(3-oxopentyl)anthraquinone; 4-Hydroxy 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057436	3',4',5'-Trimethoxy-4,5-methylenedioxy-7-oxo-2,7'-cyclolignan-9',9-olide 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057437	3,3',4',7-Tetrahydroxy-4-(2,3,4-trihydroxyphenyl)flavan, 3''-Me ether 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057438	3,4:3',4'-Bis(methylenedioxy)lignan-9,9'-olide, 7S-Acetoxy 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057439	3,5,6,7,8-Pentahydroxyflavone; 3,6-Di-Me ether, 8-tigloyl 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057440	Aklavinone 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057441	Austocystin B; 3a-Hydroxy 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057442	Dehydroheliobuphthalmin 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057443	Feudomycin B; Aglycone 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057444	Mollicellin C 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057445	Peperomin E 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057446	Rubiginone D2; 7?-Alcohol, 6a,12a-epoxide, 4-Ac 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057447	Rubiginone H 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057448	Thuriferic acid 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057449	?-Pyrromycinone; 4-Deoxy 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057450	?-Rhodomycinone; 10-Deoxy 	C22H20O8	412.115817	NA	MeJP	NA	NA
+MJ057451	Dichlorisone 	C21H26Cl2O4	412.120814	NA	MeJP	NA	NA
+MJ057452	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2-Ketone 	C20H29BrO4	412.124922	NA	MeJP	NA	NA
+MJ057453	14-Chloro-2,5,8,10-tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl 	C20H25ClO7	412.12888	NA	MeJP	NA	NA
+MJ057454	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Hydroxymethyl-2E-butenoyl) 	C20H25ClO7	412.12888	NA	MeJP	NA	NA
+MJ057455	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(4-Hydroxy-2-methyl-2E-butenoyl) 	C20H25ClO7	412.12888	NA	MeJP	NA	NA
+C09416	Eupachlorin	C20H25ClO7	412.1289	NA	KEGG	NA	NA
+MJ057456	Nizofenone 	C21H21ClN4O3	412.130218	NA	MeJP	NA	NA
+MJ057457	N-[[(9-?-D-Ribofuranosyl-9H-purin-6-yl)amino]carbonyl]threonine 	C15H20N6O8	412.134261	NA	MeJP	NA	NA
+MJ057458	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, 1-O-Sulfate 	C23H24O5S	412.134444	NA	MeJP	NA	NA
+MJ057459	3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-(4-?-D-Glucopyranosyloxybenzoyl) 	C19H24O10	412.136946	NA	MeJP	NA	NA
+MJ057460	3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one, O-[6-O-(4-Hydroxybenzoyl)-?-D-glucopyranoside] 	C19H24O10	412.136946	NA	MeJP	NA	NA
+MJ057461	10,10-Bis[(2-fluoro-4-pyridinyl)methyl]-9(10H)-anthracenone 	C26H18F2N2O	412.138719	NA	MeJP	NA	NA
+PJ001062	CQY 	C17H24N4O6S	412.1417	NA	PeJP	NA	NA
+FL5FDDNI0004	4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone	C23H24O7	412.1522	114371-86-7	knapsack	NA	NA
+FL5FDDNI0005	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone	C23H24O7	412.1522	40073-85-6	knapsack	NA	NA
+FL5FEANI0004	Viscosol	C23H24O7	412.1522	105037-80-7	knapsack	NA	NA
+FLIF1LNF0007	Dihydroamorphigenin;22,23-Dihydro-24-hydroxyrotenone	C23H24O7	412.1522	38510-58-6	knapsack	NA	NA
+FLIF1LNF0008	Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone	C23H24O7	412.1522	30462-22-7	knapsack	NA	NA
+FLIFHXNI0001	cis-12a-Hydroxyrot-2'-enonic acid	C23H24O7	412.1522	82784-44-9	knapsack	NA	NA
+MJ057462	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Et ether, 1',4-dibenzoyl 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057463	3,3',4',5,7-Pentahydroxy-8-prenylflavone; 3,3',7-Tri-Me ether 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057464	3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 3,4',6-Tri-Me ether 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057465	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(4-hydroxyphenylacetyl) 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057466	Amorphigenin; 1',3'-Dihydro 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057467	Cudraxanthone N 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057468	Cudraxanthone R 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057469	Dalpanol 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057470	Garcigerrin A 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057471	Garciniaxanthone D 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057472	Garcinisidone A; O-De-Me 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057473	Garvin A quinone 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057474	Hydroxyaristotetralone; Ac 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057475	Morusignin G; 8-Hydroxy 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057476	Morusignin H; 8-Hydroxy 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057477	Purpactin B; Aldehyde 	C23H24O7	412.152203	NA	MeJP	NA	NA
+MJ057478	Saclenone 	C23H24O7	412.152203	NA	MeJP	NA	NA
+PJ001063	GPCH 	C16H24N6O5S	412.1529	NA	PeJP	NA	NA
+MJ057479	2,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2S-Hydroxy-2-hydroxymethyl-3S-mercaptobutanoyl) 	C20H28O7S	412.155573	NA	MeJP	NA	NA
+MJ057480	Vintiamol 	C21H24N4O3S	412.156911	NA	MeJP	NA	NA
+PJ001064	GSSY 	C17H24N4O8	412.1594	NA	PeJP	NA	NA
+MJ057481	Halocortolone 	C22H27ClF2O3	412.161678	NA	MeJP	NA	NA
+MJ057482	Di-4-coumaroylputrescine; 3',3''-Dihydroxy 	C22H24N2O6	412.163436	NA	MeJP	NA	NA
+MJ057483	Nareline; 10,12-Dimethoxy 	C22H24N2O6	412.163436	NA	MeJP	NA	NA
+MJ057484	Vomicine; 19?,20?-Epoxide, 15-hydroxy 	C22H24N2O6	412.163436	NA	MeJP	NA	NA
+C07006	Fluocinolone	C21H26F2O6	412.1697	NA	KEGG	NA	NA
+C07007	Transferred to D00325	C21H26F2O6	412.1697	NA	KEGG	NA	NA
+C07008	Transferred to D00326	C21H26F2O6	412.1697	NA	KEGG	NA	NA
+C07009	Transferred to D00327	C21H26F2O6	412.1697	NA	KEGG	NA	NA
+MJ057485	Fluocinolone 	C21H26F2O6	412.169744	NA	MeJP	NA	NA
+PJ001065	QEH 	C16H24N6O7	412.1707	NA	PeJP	NA	NA
+MJ057486	Benzylthiocrellidone 	C24H28O4S	412.17083	NA	MeJP	NA	NA
+MJ057487	Brucein E 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057488	Eurycomanol; 13?,18-Dihydro 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057489	Picrodendrin E 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057490	Picrodendrin L 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057491	Picrodendrin U 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057492	Picrodendrin W 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057493	Pterosin T; 14-Deoxy, 15-hydroxy, 10-O-?-D-glucopyranoside 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057494	Pterosin T; 14-Deoxy, 15-hydroxy, 4-O-?-D-glucopyranoside 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057495	Pterosin T; 14-Deoxy, 5?-hydroxy, 10-O-?-D-glucopyranoside 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057496	Pterosin T; 4-O-?-D-Glucopyranoside 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057497	Trachyspic acid 	C20H28O9	412.173332	NA	MeJP	NA	NA
+MJ057498	Cyanonaphthyridinomycin; N-De-Me 	C21H24N4O5	412.174669	NA	MeJP	NA	NA
+MJ057499	Cyanonaphthyridinomycin; O-De-Me 	C21H24N4O5	412.174669	NA	MeJP	NA	NA
+PJ001066	CKY 	C18H28N4O5S	412.1781	NA	PeJP	NA	NA
+MJ057500	Cinalukast 	C23H28N2O3S	412.182063	NA	MeJP	NA	NA
+PJ001067	AHW 	C20H24N6O4	412.1859	NA	PeJP	NA	NA
+MJ057501	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Deoxo, ?1''-isomer (E-), 3''-hydroperoxy 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057502	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Deoxo, ?3''-isomer, 2''?-hydroperoxy 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057503	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 2'',3''-Dihydro, 2''?-hydroxy 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057504	2,4,6-Trihydroxy-3,5-diprenylbenzophenone; 4'-Hydroxy, 2''S,3''-epoxide, 4-Me ether 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057505	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3-Angeloyl, 6-(methylpropenoyl) 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057506	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 6-Angeloyl, 3-(methylpropenoyl) 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057507	3-(2,4-Dihydroxybenzoyl)dihydro-4,5-dimethyl-5-[4-methyl-5-(4-methyl-2-furanyl)-3-pentenyl]tetrahydro-2(3H)-furanone 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057508	Calanolide A; Ac 	C24H28O6	412.188588	NA	MeJP	NA	NA
+MJ057509	Cedmiline 	C24H28O6	412.188588	NA	MeJP	NA	NA
+C11238	GF 109203X	C25H24N4O2	412.1899	NA	KEGG	NA	NA
+MJ057510	3-[1-[3-(Dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione 	C25H24N4O2	412.189926	NA	MeJP	NA	NA
+MJ057511	5-Chloro-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-?,?-dimethyl-1H-indole-3-ethanamine 	C24H29ClN2O2	412.191755	NA	MeJP	NA	NA
+HMDB00416	17-Hydroxypregnenolone sulfate	C21H32O6S	412.191956	NA	HMDB2010	NA	NA
+MJ057512	3,6-Dihydroxypregn-9(11)-en-20-one, 3-O-Sulfate 	C21H32O6S	412.191959	NA	MeJP	NA	NA
+HMDB00416	17-Hydroxypregnenolone sulfate	C21H32O6S	412.19196	http://www.hmdb.ca/metabolites/HMDB00416	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00416	17-Hydroxypregnenolone sulfate	C21H32O6S	412.19196	http://www.hmdb.ca/metabolites/HMDB00416	HMDB	NA	NA
+HMDB00416	17-Hydroxypregnenolone sulfate	C21H32O6S	412.19196	http://www.hmdb.ca/metabolites/HMDB00416	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00416	17-Hydroxypregnenolone sulfate	C21H32O6S	412.19196	HMDB00416	PFEM_hmdb_metabocards_official	NA	NA
+MJ057513	3-Methyl-1-butanol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H32O11	412.194461	NA	MeJP	NA	NA
+MJ057514	Pyridinoline; 2'-Deoxy 	C18H29N4O7(+)	412.195799	NA	MeJP	NA	NA
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	http://www.hmdb.ca/metabolites/HMDB00569	PFEM_hmdb_metabocards_urine	NA	urine
+EUR020	Deoxypyridinoline	C18H28N4O7	412.1958	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	http://www.hmdb.ca/metabolites/HMDB00569	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR020	Deoxypyridinoline	C18H28N4O7	412.1958	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	http://www.hmdb.ca/metabolites/HMDB00569	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR020	Deoxypyridinoline	C18H28N4O7	412.1958	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	http://www.hmdb.ca/metabolites/HMDB00569	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	http://www.hmdb.ca/metabolites/HMDB00569	HMDB	NA	NA
+EUR020	Deoxypyridinoline	C18H28N4O7	412.1958	Wishlist	Inhousejuil11	NA	NA
+PJ001068	APPE 	C18H28N4O7	412.1958	NA	PeJP	NA	NA
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	http://www.hmdb.ca/metabolites/HMDB00569	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	HMDB00569	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.1958	NA  ;SYN:3-Chloro-L-tyrosine; L-(8CI)-3-chloro-Tyrosine; Monochlorotyrosine; ChlorotyrosineH2Blood; Urine	Inhouse_peptide	NA	peptide
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	HMDB	NA	NA
+HMDB00569	Deoxypyridinoline	C18H28N4O7	412.195801	NA	HMDB2010	NA	NA
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	Inhouse_PFEM	NA	NA
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR020	Deoxypyridinoline	C18H28N4O7	412.195801	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ057515	Ajmalicine, 10,11-Dimethoxy 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057516	Berbidine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057517	Cimicidine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057518	Conopharyngine; 3-Oxo 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057519	Cylindrocarine, 5-Oxo, N-Ac 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057520	Echitamine; N4-De-Me, 17-Ac 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057521	Gardneramine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057522	Gelsemine; N-Methoxy, 18,19-dihydro, 19R-acetoxy 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057523	Hazuntinine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057524	Kopsiflorine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057525	N-Carbomethoxy-17?-hydroxykopsinine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057526	Picraphylline; 11-Methoxy 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057527	Picrinine; 10,11-Dimethoxy, Na-Me 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057528	Pleiocarpine; N-Oxide 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057529	Rauvanine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057530	Reserpiline 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057531	Specionoxeine 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057532	Strictamine; 5?,10,11-Trimethoxy 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057533	Strychnobrasiline; 12-Hydroxy, 11-methoxy 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057534	Vincorine; 11-Methoxy, N-de-Me, N-formyl 	C23H28N2O5	412.199822	NA	MeJP	NA	NA
+MJ057535	Adapalene 	C28H28O3	412.203844	NA	MeJP	NA	NA
+8067	synthetic peptide	RHT	412.206	antioxidative	Inhouse_peptide	NA	peptide
+PJ001069	KEH 	C17H28N6O6	412.2071	NA	PeJP	NA	NA
+MJ057536	1-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 2-O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057537	1-Hydroxy-3,11-eudesmadien-15-oic acid, 1-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057538	1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid, 1-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057539	1-Hydroxy-5,11(13)-eudesmadien-12-oic acid, 1-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057540	10-Hydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057541	10-Hydroxy-4(15)-guaien-12,6-olide, O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057542	15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057543	2,3-Epoxy-11-hydroxy-8-daucen-10-one, O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057544	3,9,10-Calamenenetriol, 10-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057545	3,9,10-Calamenenetriol, 9-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057546	3-Hydroxy-1(10),4-germacradien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057547	3-Hydroxy-1(10),4-germacradien-12,8-olide, 3-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057548	3-Hydroxy-4,11(13)-eudesmadien-12,6-olide, 11?,13-Dihydro, 3-O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057549	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057550	4-Hydroxy-5,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057551	5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057552	8,14-Dihydroxy-6-protoilluden-1-one, 14-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057553	8,15-Dihydroxy-2-oxo-3,5,11(13)-guaiatrien-12-oic acid, 8-(2-Methylpropenoyl), 15-O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057554	9-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057555	9-Hydroxy-5,11(13)-eudesmadien-12-oic acid, 9-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057556	Abscisic alcohol; 11-O-?-D-Glucopyranoside 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057557	Cryptoporic acid A; Parent acid, 15-hydroxy 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057558	Cryptoporic acid I 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057559	Floridanolide; 14-Butanoyloxy, 4?-acetoxy, 10-deoxy 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057560	Ptaquiloside Z 	C21H32O8	412.209718	NA	MeJP	NA	NA
+MJ057561	8-[2-(3,4-Dimethoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-1H-purine-2,6-dione 	C22H28N4O4	412.211055	NA	MeJP	NA	NA
+MJ057562	Ametantrone 	C22H28N4O4	412.211055	NA	MeJP	NA	NA
+8097	NAP	NAPVSIPQ	412.21295	MH2+	Inhouse_peptide	NA	peptide
+PJ001070	THR 	C16H28N8O5	412.2183	NA	PeJP	NA	NA
+2821	PEP inhibitor	TPPV	412.219	NA	Inhouse_peptide	NA	peptide
+MJ057563	14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide, Angeloyl 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057564	2,11,19-Trihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 19-(3-Methyl-2-butenoyl) 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057565	6-Hydroxy-14,15-dinor-13-oxo-8(17)-labden-18-oic acid, 6-Benzoyl 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057566	Andilesin A; 6'-De-hydroxy 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057567	Austalide K 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057568	Deflectin 1c 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057569	Galbanic acid; Me ester 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057570	Hippospongin B; 18,19-Dihydro 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057571	Manuifolin G 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057572	Pallidone J 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057573	Scopodrimol A 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057574	Tridachiapyrone B 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057575	Variabilin, 4-Oxo 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057576	Variabilin, ?7(E-), ?11-Isomer, 4-oxo 	C25H32O5	412.224974	NA	MeJP	NA	NA
+MJ057577	Wallichilide 	C25H32O5	412.224974	NA	MeJP	NA	NA
+C14924	3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate	C25H32O5	412.225	NA	KEGG	NA	NA
+PJ001071	SPPL 	C19H32N4O6	412.2322	NA	PeJP	NA	NA
+MJ057578	Cylindrocarine, N-Propanoyl 	C24H32N2O4	412.236207	NA	MeJP	NA	NA
+C09103	Grayanotoxin I	C22H36O7	412.2461	NA	KEGG	NA	NA
+MJ057579	1,6,10-Farnesatriene-3,9-diol; 3-O-(2-O-Acetyl-?-D-xylopyranoside) 	C22H36O7	412.246103	NA	MeJP	NA	NA
+MJ057580	13,14,15,16-Tetrahydroxy-19-spongianoic acid, 15,16-Di-Me ether 	C22H36O7	412.246103	NA	MeJP	NA	NA
+MJ057581	3,5,6,10,14,16-Grayanotoxanehexol, 14-Ac 	C22H36O7	412.246103	NA	MeJP	NA	NA
+MJ057582	Conyzanol A 	C22H36O7	412.246103	NA	MeJP	NA	NA
+MJ057583	Pregn-5-ene-3,7,8,12,14,17,20-heptol, 7-Me ether 	C22H36O7	412.246103	NA	MeJP	NA	NA
+HMDB03752	LysoPC(10:0)	C18H39NO7P	412.246399	NA	HMDB2010	NA	NA
+HMDB03752	1-Decanoyllysolecithin	C18H39NO7P	412.2464	http://www.hmdb.ca/metabolites/HMDB03752	HMDB	NA	NA
+HMDB03752	1-Decanoyllysolecithin	C18H39NO7P	412.2464	HMDB03752	PFEM_hmdb_metabocards_official	NA	NA
+MJ057584	2-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine 	C28H32N2O	412.251463	NA	MeJP	NA	NA
+7667	ACE inhibitor from k-CN (94-97)	IAIP	412.257	antioxidative	Inhouse_peptide	NA	peptide
+MJ057585	Epopromycin A 	C21H36N2O6	412.257336	NA	MeJP	NA	NA
+MJ057586	6-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-2,6-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-5,7(3H,6H)-dione 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057587	8-(3,7-Dimethyl-2,6-octadienyl)-5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-2H-1-benzopyran-4,7(3H,8H)-dione 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057588	Aglajne 3; 9,10-Didehydro(E)- 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057589	Azadirone; 6?-Hydroxy, 1,2-dihydro, 7-O-de-Ac 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057590	Boviquinone 4 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057591	Chisocheton compound F; 6-Deacetoxy, 7-deacetyl, 23-oxo 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057592	Papuaforin A 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057593	Papuaforin B 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057594	Robustol 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057595	Strongylophorine 5; 19-Carboxylic acid 	C26H36O4	412.261359	NA	MeJP	NA	NA
+MJ057596	Trifurcatol B1 	C26H36O4	412.261359	NA	MeJP	NA	NA
+PJ001072	APLL 	C20H36N4O5	412.2686	NA	PeJP	NA	NA
+MJ057597	Leucylvalylargininal; N-Ac 	C19H36N6O4	412.279803	NA	MeJP	NA	NA
+MJ057598	Valylleucylargininal; N-Ac 	C19H36N6O4	412.279803	NA	MeJP	NA	NA
+MJ057599	6,13-Epoxy-4,8,9,12-eunicellanetetrol, 9-Me ether, 12-Ac 	C23H40O6	412.282489	NA	MeJP	NA	NA
+MJ057600	8,15,18-Labdanetriol, 15-Malonyl ester 	C23H40O6	412.282489	NA	MeJP	NA	NA
+MJ057601	Mexiprostil 	C23H40O6	412.282489	NA	MeJP	NA	NA
+C08156	Testosterone cypionate	C27H40O3	412.2977	NA	KEGG	NA	NA
+MJ057602	1-Hydroxy-13,15,18,20-pentacosatetraen-11-yn-4-one, Ac 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057603	10',11'-Didehydro-5,8,11',12'-tetrahydro-10'-apo-?-carotene-3,5,8-triol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057604	12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-Ketone 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057605	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(3-Cyclopentylpropanoyl) 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057606	17-Hydroxyestr-4-en-3-one; 17?-form, Cyclohexanepropanoyl 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057607	18,20-Dihydroxycholesta-1,4,22-trien-3-one; 20S-form 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057608	2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057609	22,25-Epoxyfurost-1-en-3-one 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057610	22-Hydroxyfurosta-1,4-dien-3-one; 22?-form 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057611	24,25-Epoxy-17(24),18(25)-scalaradien-12-ol; 12?-form, Ac 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057612	3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 4-Me ether 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057613	3-Hydroxycholesta-5,22-diene-7,24-dione 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057614	5,8-Epidioxycholesta-6,9(11),22-trien-3-ol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057615	5-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,3-benzenetriol, 1-Me ether 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057616	6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 1-Me ether 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057617	9,11-Secocholesta-5,7-diene-3,9,11-trione 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057618	Cabraleahydroxylactone; 1,2-Didehydro, 3-ketone 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057619	Calcipotriol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057620	Minabeolide 4 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057621	Sinensiachrome 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057622	Spirost-1-en-3-one 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057623	Spirost-4-en-3-one 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057624	Spirosta-5,25(27)-dien-3-ol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057625	Stypodiol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057626	Taondiol 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057627	Valenciachrome 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057628	Valenciaxanthin 	C27H40O3	412.297745	NA	MeJP	NA	NA
+MJ057629	?-Tocotrienol; 11',12'-Epoxide 	C27H40O3	412.297745	NA	MeJP	NA	NA
+C08211	Doxercalciferol	C28H44O2	412.3341	NA	KEGG	NA	NA
+MJ057630	1-(16-Phenyl-12-hexadecenyl)-4-cyclohexene-1,3-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057631	28,29-Dinorcycloart-24-ene-3,6-diol, 6-Ketone 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057632	3-Hydroxyergosta-5,22-dien-7-one 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057633	3-Hydroxyergosta-5,24(28)-dien-7-one 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057634	6,9-Epoxyergosta-7,22-dien-3-ol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057635	8,9-Epoxy-8,9-secoergosta-7,9(11),22-trien-3-ol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057636	9,10-Secoergosta-5(10),6,8(14),22-tetraene-3,24-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057637	9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, 25-Hydroxy 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057638	9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057639	9,10-Secoergosta-5,7,10(19),22-tetraene-3,24-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057640	Calicoferol F 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057641	Ergost-4-ene-3,6-dione 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057642	Ergosta-4,8,22-triene-3,7-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057643	Ergosta-5,22,24-triene-3,7-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057644	Ergosta-5,24(28)-diene-3,16-diol, 16-Ketone 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057645	Ergosta-5,7,22-trien-3-ol, 5?,6?-Epoxide 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057646	Ergosta-5,7,22-trien-3-ol, 5?,6?-Epoxide 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057647	Ergosta-5,7,24(28)-triene-3,20-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MJ057648	Ergosta-5,8,22-triene-3,11-diol 	C28H44O2	412.33413	NA	MeJP	NA	NA
+MetaCyc03435	4&alpha;-formyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C28H44O2	412.334131	NA	metacyc	NA	NA
+HMDB01203	4a-Formyl-5a-cholesta-8,24-dien-3b-ol	C28H44O2	412.334137	NA	HMDB2010	NA	NA
+HMDB01438	25-Hydroxyvitamin D2	C28H44O2	412.334137	NA	HMDB2010	NA	NA
+HMDB01438	25-Hydroxyvitamin D2	C28H44O2	412.33414	http://www.hmdb.ca/metabolites/HMDB01438	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01203	4a-Formyl-5a-cholesta-8,24-dien-3b-ol	C28H44O2	412.33414	http://www.hmdb.ca/metabolites/HMDB01203	HMDB	NA	NA
+HMDB01438	25-Hydroxyvitamin D2	C28H44O2	412.33414	http://www.hmdb.ca/metabolites/HMDB01438	HMDB	NA	NA
+HMDB01438	25-Hydroxyvitamin D2	C28H44O2	412.33414	http://www.hmdb.ca/metabolites/HMDB01438	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01203	4a-Formyl-5a-cholesta-8,24-dien-3b-ol	C28H44O2	412.33414	HMDB01203	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01438	25-Hydroxyvitamin D2	C28H44O2	412.33414	HMDB01438	PFEM_hmdb_metabocards_official	NA	NA
+MJ057649	Buxamine I; N3-Me, N20-Ac 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+MJ057650	Buxitrienine C 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+MJ057651	Cyclobuxine I; 16-Deoxy, N3, N20-di-Me, N3-Ac 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+MJ057652	Harappamine 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+MJ057653	Karachicine 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+MJ057654	Papillozine C 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+MJ057655	Spirosol-5-en-3-amine 	C27H44N2O	412.345364	NA	MeJP	NA	NA
+HMDB11552	MG(0:0/22:1(13Z)/0:0)	C25H48O4	412.355255	NA	HMDB2010	NA	NA
+HMDB11582	MG(22:1(13Z)/0:0/0:0)	C25H48O4	412.355255	NA	HMDB2010	NA	NA
+C05108	14-Demethyllanosterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C05442	Stigmasterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C08817	Fucosterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C08818	Carrageenan	C29H48O	412.3705	NA	KEGG	NA	NA
+C08821	Isofucosterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C08822	Gum arabic	C29H48O	412.3705	NA	KEGG	NA	NA
+C08836	Poriferasterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C08840	alpha-Spinasterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C11522	24-Methylene lophenol	C29H48O	412.3705	NA	KEGG	NA	NA
+C15776	4alpha-Methylfecosterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C15782	delta7-Avenasterol	C29H48O	412.3705	NA	KEGG	NA	NA
+C18193	Vitamin D5	C29H48O	412.3705	NA	KEGG	NA	NA
+HMDB00937	Stigmasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB00937	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02374	Avenasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB02374	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00937	Stigmasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB00937	HMDB	NA	NA
+HMDB02374	Avenasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB02374	HMDB	NA	NA
+HMDB06845	4alpha-Methylfecosterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB06845	HMDB	NA	NA
+HMDB06851	delta7-Avenasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB06851	HMDB	NA	NA
+HMDB06925	4-alpha-Methylfecosterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB06925	HMDB	NA	NA
+HMDB00937	Stigmasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB00937	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02374	Avenasterol	C29H48O	412.37051	http://www.hmdb.ca/metabolites/HMDB02374	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00937	Stigmasterol	C29H48O	412.37051	HMDB00937	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02374	Avenasterol	C29H48O	412.37051	HMDB02374	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06845	4alpha-Methylfecosterol	C29H48O	412.37051	HMDB06845	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06851	delta7-Avenasterol	C29H48O	412.37051	HMDB06851	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06925	4-alpha-Methylfecosterol	C29H48O	412.37051	HMDB06925	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00937	Stigmasterol	C29H48O	412.370514	NA	HMDB2010	NA	NA
+HMDB01286	4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol	C29H48O	412.370514	NA	HMDB2010	NA	NA
+HMDB02374	Avenasterol	C29H48O	412.370514	NA	HMDB2010	NA	NA
+HMDB06845	4a-Methylfecosterol	C29H48O	412.370514	NA	HMDB2010	NA	NA
+HMDB06846	24-Methylenelophenol	C29H48O	412.370514	NA	HMDB2010	NA	NA
+HMDB06851	Delta7-Avenasterol	C29H48O	412.370514	NA	HMDB2010	NA	NA
+MJ057656	14-Methyl-9,19-cycloergost-24(28)-en-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057657	14-Methyl-9,19-cycloergost-25-en-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057658	14-Methylergosta-9(11),24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057659	19,28-Epoxy-24-noroleanane; 19?-form 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057660	23,25-Cyclostigmast-5-en-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057661	23-Demethylgorgosterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057662	23-Ethyl-24,26-cyclocholest-5-en-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057663	23-Ethylcholesta-11,23-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057664	23-Methylergost-22-en-3-ol, 7,8-Didehydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057665	23-Methylergosta-5,17(20)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057666	23-Methylergosta-5,22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057667	24,26-Dimethylcholest-5-en-3-ol, 25,26-Didehydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057668	24,26-Dimethylcholesta-5,25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057669	24-Methylergosta-5,25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057670	24-Nor-5-oleanen-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057671	25-Methyl-24-methylenecholest-5-en-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057672	25-Methylergosta-7,24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057673	25-Nor-9(11)-friedelen-3-ol; 3?-form 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057674	26-Methylergosta-5,24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057675	26-Methylergosta-5,26-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057676	26-Nor-14-friedelen-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057677	28-Nor-12-oleanen-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057678	28-Nor-12-ursen-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057679	29-Norcycloart-24-en-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057680	29-Norcycloarta-3,24-dien-23-one; Tetrahydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057681	29-Norcycloartan-3-ol, 24,25-Didehydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057682	29-Norcycloartan-3-ol, Ketone 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057683	29-Norlanosterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057684	30-Nor-22-hopanone; 21?H-form 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057685	30-Nor-22-hopanone; 21àH-form 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057686	4,4-Dimethylcholesta-6,20(22)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057687	4,4-Dimethylcholesta-8,24-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057688	4-Methylergosta-7,22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057689	4-Methylergosta-7,23-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057690	4-Methylergosta-7,24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057691	4-Methylergosta-7,25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057692	4-Methylergosta-8(14),22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057693	4-Methylergosta-8(14),25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057694	4-Methylergosta-8,22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057695	4-Methylergosta-8,24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057696	9,19-Cyclo-14,24-dimethylcholestan-3-ol, 3-Ketone 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057697	Amphisterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057698	Australinol A; 2-Aldehyde 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057699	Australinol B; 2-Aldehyde 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057700	Australinol C; 2-Aldehyde 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057701	Australinol D; 2-Aldehyde 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057702	Australinol E; 2-Aldehyde 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057703	Australinol E; ?20(30)-Isomer, 2-aldehyde 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057704	Conicasterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057705	Cyclonervilasterol; 22,23-Dihydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057706	Cyclonervilasterol; 24-Epimer, 22,23-dihydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057707	Dihydrocalysterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057708	Echissaposterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057709	Ficisterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057710	Petrostanol; 5,6-Didehydro 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057711	Stigmast-24(28)-en-3-one 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057712	Stigmast-4-en-3-one 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057713	Stigmast-5-en-3-one 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057714	Stigmast-7-en-3-one 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057715	Stigmast-9(11)-en-3-ol, Ketone 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057716	Stigmasta-22,25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057717	Stigmasta-24(28),25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057718	Stigmasta-5,11-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057719	Stigmasta-5,17(20)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057720	Stigmasta-5,20-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057721	Stigmasta-5,22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057722	Stigmasta-5,23-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057723	Stigmasta-5,24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057724	Stigmasta-5,24-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057725	Stigmasta-5,25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057726	Stigmasta-5,9(11)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057727	Stigmasta-7,22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057728	Stigmasta-7,24(28)-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057729	Stigmasta-7,24-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057730	Stigmasta-7,25-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057731	Stigmasta-8(14),22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057732	Stigmasta-8,22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057733	Stigmasta-9(11),22-dien-3-ol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057734	14-Desmethyllanosterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MJ057735	Phytosterol 	C29H48O	412.370516	NA	MeJP	NA	NA
+MetaCyc03436	4,4-dimethyl-5&alpha;-cholesta-8,24-dien-3-&beta;-ol [4,4-dimethyl-8,24-cholestadienol;4,4-dimethylzymosterol;14-demethyllanosterol;17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthren-3-ol;4,4-dimethyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol;]	C29H48O1	412.370516	NA	metacyc	NA	NA
+MetaCyc03437	24-methylenelophenol [cpd-4101;cdp-4101;4&alpha;-methyl-5&alpha;-ergosta-7,24-dien-3&beta;-ol;]	C29H48O1	412.370516	NA	metacyc	NA	NA
+MetaCyc03438	4&alpha;-methylfecosterol [4&alpha;-methyl-5&alpha;-ergosta-8,24-dien-3&beta;-ol;]	C29H48O1	412.370516	NA	metacyc	NA	NA
+MetaCyc03439	stigmasterol []	C29H48O1	412.370516	NA	metacyc	NA	NA
+MetaCyc03440	&Delta;24-25-sitosterol []	C29H48O1	412.370516	NA	metacyc	NA	NA
+MetaCyc03441	isofucosterol []	C29H48O1	412.370516	NA	metacyc	NA	NA
+MetaCyc03442	avenasterol []	C29H48O1	412.370516	NA	metacyc	NA	NA
+MJ057736	Buxamine I; N-Tetra-Me 	C28H48N2	412.381749	NA	MeJP	NA	NA
+MJ057737	Buxupapine; N3-Me 	C28H48N2	412.381749	NA	MeJP	NA	NA
+MJ057738	2-Hydroxy-23-methylpentacosanoic acid 	C26H52O3	412.391645	NA	MeJP	NA	NA
+MJ057739	2-Hydroxy-24-methylpentacosanoic acid 	C26H52O3	412.391645	NA	MeJP	NA	NA
+MJ057740	26-Hydroxyhexacosanoic acid 	C26H52O3	412.391645	NA	MeJP	NA	NA
+MJ057741	Gammacerane 	C30H52	412.406901	NA	MeJP	NA	NA
+MJ057742	Hopane 	C30H52	412.406901	NA	MeJP	NA	NA
+MJ057743	Oleanane 	C30H52	412.406901	NA	MeJP	NA	NA
+MJ057744	Triterpane E 	C30H52	412.406901	NA	MeJP	NA	NA
+MJ057745	6,8-Heptacosanediol 	C27H56O2	412.428031	NA	MeJP	NA	NA
+MJ057746	7,8-Heptacosanediol 	C27H56O2	412.428031	NA	MeJP	NA	NA
+MJ057747	8,10-Heptacosanediol 	C27H56O2	412.428031	NA	MeJP	NA	NA
+MJ057748	8,9-Heptacosanediol 	C27H56O2	412.428031	NA	MeJP	NA	NA
+MJ057749	Teclothiazide 	C8H7Cl4N3O4S2	412.863207	NA	MeJP	NA	NA
+MJ057750	Aplidiamine 	C12H9Br2N5O2	412.912299	NA	MeJP	NA	NA
+MJ057751	Lissoclinotoxin A; 8-(Methylthio), N,N,O-tri-Me 	C13H19NO2S6	412.974002	NA	MeJP	NA	NA
+MJ057752	Discorhabdin A; 16,17-Didehydro 	C18H12BrN3O2S	412.983359	NA	MeJP	NA	NA
+MJ057753	Discorhabdin A; 4,5-Didehydro 	C18H12BrN3O2S	412.983359	NA	MeJP	NA	NA
+MJ057754	Halofuginone 	C16H17BrClN3O3	413.014181	NA	MeJP	NA	NA
+MJ057755	Cefdaloxime 	C14H15N5O6S2	413.046374	NA	MeJP	NA	NA
+MJ057756	4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile 	C16H20IN3O2	413.06002	NA	MeJP	NA	NA
+MJ057757	Bretylium(1+); 4-Methylbenzenesulfonate 	C18H24BrNO3S	413.066026	NA	MeJP	NA	NA
+MJ057758	Adlumidiceine; 1-Oxo 	C21H19NO8	413.111066	NA	MeJP	NA	NA
+MJ057759	Glutathione; S-(4-Hydroxybenzyl) 	C17H23N3O7S	413.12567	NA	MeJP	NA	NA
+PJ001073	CEY 	C17H23N3O7S	413.1257	NA	PeJP	NA	NA
+MJ057760	4-Acetyl-1-[(3,4-dichlorophenyl)acetyl]-2-[(3-hydroxy-1-pyrrolidinyl)methyl]piperazine 	C19H25Cl2N3O3	413.127297	NA	MeJP	NA	NA
+MJ057761	4-[(3,4-Dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid, Me ester 	C19H25Cl2N3O3	413.127297	NA	MeJP	NA	NA
+MJ057762	Azaclorzine 	C22H24ClN3OS	413.13286	NA	MeJP	NA	NA
+MJ057763	Chromopyrrolic acid; Di-Me ester 	C24H19N3O4	413.137556	NA	MeJP	NA	NA
+MJ057764	Antibiotic SB 219383 	C17H23N3O9	413.143429	NA	MeJP	NA	NA
+MJ057765	ibiotic SB 219383 	C17H23N3O9	413.143429	NA	MeJP	NA	NA
+MJ057766	3-Amino-3,4-dideoxy-xylo-hexuronic acid; ?-D-Pyranose-form, Me glycoside, 2,3-dibenzoyl, Me ester 	C22H23NO7	413.147452	NA	MeJP	NA	NA
+MJ057767	3-Amino-3,4-dideoxy-xylo-hexuronic acid; ?-D-Pyranose-form, Me glycoside, 2,3-dibenzoyl, Me ester 	C22H23NO7	413.147452	NA	MeJP	NA	NA
+MJ057768	Microcarpine 	C22H23NO7	413.147452	NA	MeJP	NA	NA
+MJ057769	Narcotine 	C22H23NO7	413.147452	NA	MeJP	NA	NA
+C09592	alpha-Narcotine	C22H23NO7	413.1475	NA	KEGG	NA	NA
+PJ001074	EEH 	C16H23N5O8	413.1547	NA	PeJP	NA	NA
+PJ001075	TMY 	C18H27N3O6S	413.1621	NA	PeJP	NA	NA
+C09109	Hymatoxin A	C20H29O7S	413.1634	NA	KEGG	NA	NA
+PJ001076	GSNH 	C15H23N7O7	413.1659	NA	PeJP	NA	NA
+MJ057770	Ridiflone 	C23H22F3N3O	413.171496	NA	MeJP	NA	NA
+MJ057771	Iheyamine B 	C25H23N3O3	413.173941	NA	MeJP	NA	NA
+MJ057772	Antibiotic FR 900452; Dihydro (?) 	C22H27N3O3S	413.177312	NA	MeJP	NA	NA
+MJ057773	Ethacizine 	C22H27N3O3S	413.177312	NA	MeJP	NA	NA
+C16787	AK-toxin I	C23H27NO6	413.1838	NA	KEGG	NA	NA
+MJ057774	?-Lumicolchicine; N-Me 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057775	AK toxin I 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057776	Ambinine 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057777	Antibiotic 3543 R1 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057778	Glaucamine; Et ether 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057779	Miyaconitine; 7-Ketone 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057780	Oreogenine; Et ether 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057781	Protostemonine; 1,9a,2,3-Tetradehydro 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057782	Solidaline 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057783	Triniifoline; 14-Et ether 	C23H27NO6	413.183837	NA	MeJP	NA	NA
+MJ057784	Mecambridine, N-Me 	C23H28NO6(+)	413.183837	NA	MeJP	NA	NA
+MJ057785	Flufylline 	C21H24FN5O3	413.186317	NA	MeJP	NA	NA
+MJ057786	Lupitidine 	C21H27N5O2S	413.188545	NA	MeJP	NA	NA
+PJ001077	SPPN 	C17H27N5O7	413.1911	NA	PeJP	NA	NA
+MJ057787	Fluspiperone 	C23H25F2N3O2	413.191483	NA	MeJP	NA	NA
+MJ057788	N-[1-[4-(4-Fluorophenoxy)butyl]-4-piperidinyl]-N-methyl-2-benzothiazolamine 	C23H28FN3OS	413.193711	NA	MeJP	NA	NA
+PJ001078	TFF 	C22H27N3O5	413.1951	NA	PeJP	NA	NA
+MJ057789	Echihumiline; N-Oxide 	C20H31NO8	413.204966	NA	MeJP	NA	NA
+MJ057790	Echimidine; N-Oxide 	C20H31NO8	413.204966	NA	MeJP	NA	NA
+MJ057791	Heliosupine; N-Oxide 	C20H31NO8	413.204966	NA	MeJP	NA	NA
+MJ057792	Pagisulfine 	C23H31N3O2S	413.213697	NA	MeJP	NA	NA
+3763	NA	LNPA	413.2159	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ057793	2-[[5-Methyl-5-(1H-tetrazol-5-yl)hexyl]oxy]-4,6-diphenylpyridine 	C25H27N5O	413.22156	NA	MeJP	NA	NA
+2631	synthetic fr, of human beta-CN (46-52) ACE inhibitor	PQPLIYP	413.2225	MH2+	Inhouse_peptide	NA	peptide
+PJ001079	GPLQ 	C18H31N5O6	413.2275	NA	PeJP	NA	NA
+MJ057794	Dodecyldimethyl(2-phenoxyethyl)ammonium(1+); Bromide 	C22H40BrNO	413.229327	NA	MeJP	NA	NA
+MJ057795	Alkaloid TC-D 	C23H31N3O4	413.231456	NA	MeJP	NA	NA
+MJ057796	Lasofoxifene 	C28H31NO2	413.235479	NA	MeJP	NA	NA
+PJ001080	AAPR 	C17H31N7O5	413.2387	NA	PeJP	NA	NA
+MJ057797	Tryptophyllin L 1.1 	C22H31N5O3	413.242689	NA	MeJP	NA	NA
+8106	peptide derived from dried bonito	PKAV	413.251	ACE inhibitor	Inhouse_peptide	NA	peptide
+2579	tenecin-1 (35-43)	NGKRVCVCR~	413.25595	MH2+	Inhouse_peptide	NA	peptide
+2582	tenecin-1 (34-43)	CNGKRVCVCR~	413.25595	MH2+	Inhouse_peptide	NA	peptide
+MJ057798	Alprafenone 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057799	Antibiotic LL-49F233? 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057800	Kobusine; 6-Hydroxy, O15-(2S-methylbutanoyl) 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057801	Phomasetin 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057802	Spiramine J; 15-Ac 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057803	Spiramine J; 7-Ac 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057804	Yuzurimine B; 9,22-Didehydro, N-oxide 	C25H35NO4	413.256608	NA	MeJP	NA	NA
+MJ057805	Spongidine A; 17-Acetoxy 	C25H36NO4(+)	413.256608	NA	MeJP	NA	NA
+PJ001081	GPLK 	C19H35N5O5	413.2638	NA	PeJP	NA	NA
+MJ057806	1-[15-(3,4-Methylenedioxyphenyl)-14-pentadecenoyl]pyrrolidine 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057807	Antibiotic AB 4015B 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057808	Antibiotic AB 4063B 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057809	Brachystamide B, 14,15-Dihydro 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057810	Metachromin H 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057811	Piericidin; Piericidin A3, 5-Demethoxy 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057812	Smenospongine; 5'-Epimer, N-(3-methylbutyl) 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057813	Smenospongine; N-(3-Methylbutyl) 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+MJ057814	Smenospongine; N-Pentyl 	C26H39NO3	413.292994	NA	MeJP	NA	NA
+HMDB13333	3-Hydroxy-9-hexadecenoylcarnitine	C23H43NO5	413.314117	NA	HMDB2010	NA	NA
+MJ057815	13(17)-Cevenine-3,6-diol 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057816	16,28-Secosolanida-5,22(28)-diene-3,16-diol 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057817	3,6-Cevanediol, 6-Ketone 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057818	3,6-Cevanediol, 3-Ketone 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057819	3,6-Cevanediol, 6-Ketone 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057820	3,6-Cevanediol, 3-Ketone 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057821	3,6-Cevanediol, 6-Ketone 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057822	Cholest-4-ene-3,6-dione; 6-Oxime (E-) 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057823	Cordiline 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057824	Isorubijervine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057825	Korselimine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057826	Korseveridinine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057827	Korsidine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057828	Korsinine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057829	Leptinidine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057830	Petiline 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057831	Rubijervine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057832	Severzine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057833	Solacongestidine; 23-Oxo 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057834	Solacongestidine; 24-Oxo 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057835	Solanidine; 27-Hydroxy 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057836	Solasodenone; 4,5?-Dihydro 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057837	Spirosol-5-en-3-ol 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057838	Spirosolan-3-ol, 3-Ketone 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057839	Spirostan-3-amine, 5,6-Didehydro 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057840	Stenanzamine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057841	Tomatillidine; 5?,6-Dihydro 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057842	Veraflorizine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057843	Veralkamine 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057844	Verazine; 25?-Hydroxy 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+MJ057845	Verazine; 4?-Hydroxy 	C27H43NO2	413.329379	NA	MeJP	NA	NA
+C10822	Solasodine	C27H43NO2	413.3294	NA	KEGG	NA	NA
+HMDB12172	4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol	C28H45O2	413.341949	NA	HMDB2010	NA	NA
+HMDB06885	Cholesterol ester	C28H45O2	413.34195	http://www.hmdb.ca/metabolites/HMDB06885	HMDB	NA	NA
+HMDB06885	Cholesterol ester	C28H45O2	413.34195	HMDB06885	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06210	Heptadecanoyl carnitine	C24H47NO4	413.350494	NA	HMDB2010	NA	NA
+MJ057846	Pahutoxin, O-De-Ac, O-propanoyl 	C24H48NO4(+)	413.350509	NA	MeJP	NA	NA
+HMDB06210	Heptadecanoate carnitine	C24H47NO4	413.35052	http://www.hmdb.ca/metabolites/HMDB06210	HMDB	NA	NA
+HMDB06210	Heptadecanoate carnitine	C24H47NO4	413.35052	HMDB06210	PFEM_hmdb_metabocards_official	NA	NA
+MJ057847	Inandenin-10-one; 10-Alcohol, 11-hydroxy 	C23H47N3O3	413.361742	NA	MeJP	NA	NA
+MJ057848	15-Azasterol; 24,28-Dihydro 	C28H47NO	413.365765	NA	MeJP	NA	NA
+MJ057849	3-(7,16-Tricosadienyl)-1H-pyrrole-2-carboxaldehyde 	C28H47NO	413.365765	NA	MeJP	NA	NA
+MJ057850	Zinc iodate 	I2O6Zn	413.707571	NA	MeJP	NA	NA
+MJ057851	Tin(II) pyrophosphate (Sn2P2O7) 	O7P2Sn2	413.716318	NA	MeJP	NA	NA
+MJ057852	(2,5-Dibromo-1,4,6-trichloro-1,5-dimethylhexyl)oxirane 	C10H15Br2Cl3O	413.855523	NA	MeJP	NA	NA
+MJ057853	4-Bromo-3-(1-hydroxybutyl)-5-(iodomethylene)-2(5H)-furanone, Ac 	C11H12BrIO4	413.896364	NA	MeJP	NA	NA
+MJ057854	Haloxon 	C14H14Cl3O6P	413.959357	NA	MeJP	NA	NA
+MJ057855	Isoconazole 	C18H14Cl4N2O	413.986023	NA	MeJP	NA	NA
+MJ057856	Miconazole 	C18H14Cl4N2O	413.986023	NA	MeJP	NA	NA
+MetaCyc03443	miconazole [1-(2,4-dichloro-&beta;-((2,4-dichlorobenzyl)oxy)phenethyl) imidazole;1H-imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)-;imidazole, 1-(2,4-dichloro-&beta;-((2,4-dichlorobenzyl)oxy) phenethyl)-;imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl) methoxy)ethyl)- (9CI);]	C18H14N2O1CL4	413.986024	NA	metacyc	NA	NA
+MJ057857	Geodoxin 	C17H12Cl2O8	413.990922	NA	MeJP	NA	NA
+MJ057858	Gillusdin 	C17H12Cl2O8	413.990922	NA	MeJP	NA	NA
+MJ057859	Caespitol; 8-Deoxy 	C15H25Br2ClO	413.996068	NA	MeJP	NA	NA
+MJ057860	Isocaespitol; Deoxy 	C15H25Br2ClO	413.996068	NA	MeJP	NA	NA
+C10943	Chlorimuron ethyl	C15H15ClN4O6S	414.0401	NA	KEGG	NA	NA
+MJ057861	Halenaquinol; O16-Sulfate 	C20H14O8S	414.040938	NA	MeJP	NA	NA
+C11170	Sulbenicillin	C16H18N2O7S2	414.0555	NA	KEGG	NA	NA
+MJ057862	Sulbenicillin 	C16H18N2O7S2	414.055542	NA	MeJP	NA	NA
+MJ057863	Temocillin 	C16H18N2O7S2	414.055542	NA	MeJP	NA	NA
+PJ001082	SCCC 	C12H22N4O6S3	414.0702	NA	PeJP	NA	NA
+C04712	(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate	C16H18N2O9S	414.0733	NA	KEGG	NA	NA
+MJ057864	Antibiotic C4; Ac 	C16H18N2O9S	414.0733	NA	MeJP	NA	NA
+MetaCyc03444	7-(5-carboxyl-5-oxopentanyl)-aminocephalosporinate [(7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinate;]	C16H18N2O9S1	414.073301	NA	metacyc	NA	NA
+MJ057865	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5-O-(6-O-Acetyl-?-D-glucopyranoside) 	C17H18O12	414.079826	NA	MeJP	NA	NA
+MJ057866	Talniflumate 	C21H13F3N2O4	414.082741	NA	MeJP	NA	NA
+FL3FAACS0005	3'-Deoxyderhamnosylmaysin	C21H18O9	414.09508	-	knapsack	NA	NA
+FL3FAAGS0063	Pinnatifinoside A;(2R,3S,4S,5R)-4,5-Dihydro-3,4,5'-trihydroxy-5-(hydroxymethyl)-2'-(4-hydroxyphenyl)-spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one	C21H18O9	414.09508	366472-57-3	knapsack	NA	NA
+FL63ACNC0005	Prodelphinidin B6	C21H18O9	414.09508	61541-02-4	knapsack	NA	NA
+MJ057867	3,3',4',5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan 	C21H18O9	414.095082	NA	MeJP	NA	NA
+MJ057868	Antibiotic TAN 1612 	C21H18O9	414.095082	NA	MeJP	NA	NA
+MJ057869	Mitorubrinic acid B 	C21H18O9	414.095082	NA	MeJP	NA	NA
+MJ057870	Premithramycinone 	C21H18O9	414.095082	NA	MeJP	NA	NA
+MJ057871	Stictic acid; 1'-Et ether 	C21H18O9	414.095082	NA	MeJP	NA	NA
+MJ057872	Versicorufin 	C21H18O9	414.095082	NA	MeJP	NA	NA
+MJ057873	?1-Pyrromycinone 	C21H18O9	414.095082	NA	MeJP	NA	NA
+C12383	Premithramycinone	C21H18O9	414.0951	NA	KEGG	NA	NA
+MJ057874	Interruptin E; 1-Ketone 	C25H18O6	414.110338	NA	MeJP	NA	NA
+MJ057875	Sphagnorubin A; 3',11-Di-Me ether 	C25H18O6	414.110338	NA	MeJP	NA	NA
+C09769	Asperuloside	C18H22O11	414.1162	NA	KEGG	NA	NA
+MJ057876	Asperuloside 	C18H22O11	414.116211	NA	MeJP	NA	NA
+C16999	Futalosine	C19H18N4O7	414.1175	NA	KEGG	NA	NA
+MJ057877	Futalosine 	C19H18N4O7	414.117548	NA	MeJP	NA	NA
+MJ057878	Rubrorotiorin 	C23H23ClO5	414.123401	NA	MeJP	NA	NA
+C07250	Nafcillin	C21H22N2O5S	414.1249	NA	KEGG	NA	NA
+MJ057879	Nafcillin 	C21H22N2O5S	414.124942	NA	MeJP	NA	NA
+FL1A1AGM0001	6,4'-Dihydroxy-7-methylaurone 6-rhamnoside	C22H22O8	414.13146	124901-82-2	knapsack	NA	NA
+FL2FACNI0018	Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone	C22H22O8	414.13146	180318-50-7	knapsack	NA	NA
+FL3FCACS0028	Aciculatin	C22H22O8	414.13146	134044-97-6	knapsack	NA	NA
+FL5FDDNI0001	Quercetin 3,3'-dimethyl ether 4'-(2-methylbutyrate)	C22H22O8	414.13146	78516-74-2	knapsack	NA	NA
+FL5FDDNI0002	Quercetin 3,3'-dimethyl ether 4'-isovalerate	C22H22O8	414.13146	78516-75-3	knapsack	NA	NA
+FL5FFCNI0008	3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one	C22H22O8	414.13146	232932-39-7	knapsack	NA	NA
+FL5FFCNI0009	3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone	C22H22O8	414.13146	-	knapsack	NA	NA
+FLIFHXNF0012	Volubinol	C22H22O8	414.13146	93290-65-4	knapsack	NA	NA
+MJ057880	1,2-Dicoumaroylglycerol, 3''-Methoxy 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057881	1,2-Dicoumaroylglycerol, 3'-Methoxy 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057882	1,3-Dicoumaroylglycerol, 3'-Methoxy 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057883	2-(1,3-Benzodioxol-5-yl)-3,4-dihydro-3,4,5,6-tetramethoxy-2H-furo[2,3-h]-1-benzopyran 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057884	3',4',5,7-Tetrahydroxy-8-prenylflavanone, 4''-Acetoxy 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057885	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, Tetra-Me ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057886	3,3',4',5,7,8-Hexahydroxy-6-prenylflavone; 3',7-Di-Me ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057887	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-(3-Methyl-2-butenyl) 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057888	4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 4'-O-(2-Methylbutanoyl) 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057889	4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 4'-O-(3-Methylbutanoyl) 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057890	4',6-Dihydroxy-7-methylaurone; 6-O-?-L-Rhamnopyranoside 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057891	7-(1,3-Benzodioxol-5-yl)-6,7-dihydro-4,5,6,9-tetramethoxy-5H-furo[3,2-g]-1-benzopyran 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057892	?-Peltatin; 4'-Me ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057893	Aciculatin 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057894	Antibiotic C 112-III; 2 or 3-Methoxy, Me ester 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057895	Arboreol; 7-Et ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057896	Dalbinol; 1',3'-Dihydro, 9-O-de-Me 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057897	Dulxanthone F; 12-Methoxy 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057898	Edulone A 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057899	Excelsin 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057900	Heliobuphthalmin 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057901	Peperomin A 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057902	Piscerisoflavone A; 4'-Me ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057903	Piscerisoflavone C; 4'-Me ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057904	Podophyllotoxin 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057905	Salvianduline B; 7-Epimer, 7-Ac 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057906	Schizantherin P; 7-Ketone 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057907	Steganol 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057908	Teubrevin G 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057909	?-Peltatin; 4'-Me ether 	C22H22O8	414.131467	NA	MeJP	NA	NA
+MJ057910	Lignin 	C22H22O8	414.131467	NA	MeJP	NA	NA
+C10871	Picropodophyllin	C22H22O8	414.1315	NA	KEGG	NA	NA
+C10874	Podophyllotoxin	C22H22O8	414.1315	NA	KEGG	NA	NA
+MJ057911	Cefrotil 	C20H22N4O4S	414.136175	NA	MeJP	NA	NA
+MJ057912	?-D-Xylopyranosyl-(1?2)-?-D-xylopyranosyl-(1?4)-D-xylose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057913	?-D-Xylopyranosyl-(1?3)-?-D-xylopyranosyl-(1?3)-D-xylose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057914	?-D-Xylopyranosyl-(1?3)-?-D-xylopyranosyl-(1?4)-D-xylose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057915	?-D-Xylopyranosyl-(1?3)-?-L-arabinofuranosyl-(1?3)-L-arabinose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057916	?-D-Xylopyranosyl-(1?4)-?-D-xylopyranosyl-(1?2)-D-xylose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057917	?-D-Xylopyranosyl-(1?5)-?-L-arabinofuranosyl-(1?3)-L-arabinose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057918	?-D-Xylopyranosyl-(1?5)-?-L-arabinofuranosyl-(1?5)-L-arabinose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057919	Xylotriose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057920	?-D-Arabinofuranosyl-(1?5)-?-D-arabinofuranosyl-(1?5)-D-arabinose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057921	?-D-Xylopyranosyl-(1?3)-?-L-arabinofuranosyl-(1?3)-L-arabinose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057922	?-L-Arabinofuranosyl-(1?3)-?-D-xylopyranosyl-(1?4)-D-xylose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+MJ057923	?-L-Arabinofuranosyl-(1?3)-[?-L-arabinofuranosyl-(1r5)]-L-arabinose 	C15H26O13	414.13734	NA	MeJP	NA	NA
+C07001	Flecainide	C17H20F6N2O3	414.1378	NA	KEGG	NA	NA
+C07002	Transferred to D00322	C17H20F6N2O3	414.1378	NA	KEGG	NA	NA
+C07003	Transferred to D00323	C17H20F6N2O3	414.1378	NA	KEGG	NA	NA
+MJ057924	Flecainide 	C17H20F6N2O3	414.137811	NA	MeJP	NA	NA
+MJ057925	Clavamycin A 	C16H22N4O9	414.138678	NA	MeJP	NA	NA
+C06667	Clavamycin A	C16H22N4O9	414.1387	NA	KEGG	NA	NA
+MJ057926	15-Bromo-4(19),9(11)-neopargueradiene-2,3,7,16-tetrol 	C20H31BrO4	414.140572	NA	MeJP	NA	NA
+MJ057927	2-Heptyl-1-cyclopropanepropanoic acid, (5-Acetoxy-4-bromo-1,3-pentadienyl) ester (Z,Z-) 	C20H31BrO4	414.140572	NA	MeJP	NA	NA
+MJ057928	Isoparguerol; O-De-Ac 	C20H31BrO4	414.140572	NA	MeJP	NA	NA
+MJ057929	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; 6-Deoxy-?-L-glucopyranose-2-yl ester 	C21H22N2O7	414.142701	NA	MeJP	NA	NA
+MJ057930	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; 6-Deoxy-?-L-glucopyranose-3-yl ester 	C21H22N2O7	414.142701	NA	MeJP	NA	NA
+MJ057931	Sancycline 	C21H22N2O7	414.142701	NA	MeJP	NA	NA
+MJ057932	Fostriecin; 13-Deoxy 	C19H27O8P	414.144354	NA	MeJP	NA	NA
+MJ057933	3-Chloro-1,10-epoxy-8-hydroxy-4,11(13)-germacradien-12,6-olide, O-(2,3-Dihydroxy-2-methylbutanoyl) 	C20H27ClO7	414.14453	NA	MeJP	NA	NA
+PJ001083	GSDH 	C15H22N6O8	414.1499	NA	PeJP	NA	NA
+MJ057934	1-O-Coumaroylglycerol, 4'-Me ether, 2-O-?-D-glucopyranoside 	C19H26O10	414.152597	NA	MeJP	NA	NA
+MJ057935	1-O-Coumaroylglycerol, 4'-Me ether, 3-O-?-D-glucopyranoside 	C19H26O10	414.152597	NA	MeJP	NA	NA
+MJ057936	4-Vinylphenol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O10	414.152597	NA	MeJP	NA	NA
+MJ057937	4-Vinylphenol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O10	414.152597	NA	MeJP	NA	NA
+C06958	Diltiazem	C22H26N2O4S	414.1613	NA	KEGG	NA	NA
+C06960	Transferred to D00300	C22H26N2O4S	414.1613	NA	KEGG	NA	NA
+MJ057938	Diltiazem 	C22H26N2O4S	414.161328	NA	MeJP	NA	NA
+FL2FADNI0005	Laxiflorin;5,7,4'-Trihydroxy-3'-methoxy-6-(beta-hydroxyethyl)-8-prenylflavanone	C23H26O7	414.16785	180680-91-5	knapsack	NA	NA
+FL2FALNI0017	Heteroflavanone C	C23H26O7	414.16785	156127-36-5	knapsack	NA	NA
+MJ057939	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 2'',3''-Dihydro, 3''-hydroxy 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057940	2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 2',4',6'-Tri-Me ether 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057941	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,4-Methylene, 3',5'-di-Me ether, Ac 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057942	2-Hydroxygarvin A 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057943	3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 3',4'-Methylene, 3,4-di-Me ether, 7'-Ac 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057944	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(4-Hydroxy-2,4-dimethyl-2-pentenoyl) 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057945	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8,11-Bis(2-methylpropenoyl) 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057946	Falconensin A; Bis(dechloro) 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057947	Grayanic acid 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057948	Hexademethylpyrimidatin A; Atropisomer, 4,5-methylene, 3,3',4',5'-tetra-Me ether 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057949	Hinokiresinol, 4''-O-?-D-Glucopyranoside 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057950	Hinokiresinol, 4'-O-?-D-Glucopyranoside 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057951	Khellactone, 9-Angeloyl, 10-O-(2-methylpropanoyl) 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057952	Mon A; 7-O-De-Ac, 7-O-formyl 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057953	Neoisostegane 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057954	Neokadsuranin 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057955	Penicillide, 1'-Ac 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057956	Picrolichenic acid; Lower homologue (1) 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057957	Picrolichenic acid; Lower homologue (2) 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057958	Purpactin B 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057959	Schizanlignone C 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057960	Steganoate A 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057961	Stenosporonic acid 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057962	Tinifolindiol 	C23H26O7	414.167853	NA	MeJP	NA	NA
+MJ057963	Vaginidiol; 3'-O-(2-Methylpropanoyl), 1''-O-angeloyl 	C23H26O7	414.167853	NA	MeJP	NA	NA
+C10707	Neoisostegane	C23H26O7	414.1679	NA	KEGG	NA	NA
+PJ001084	QMH 	C16H26N6O5S	414.1686	NA	PeJP	NA	NA
+MJ057964	6,9,16-Trihydroxy-7-isopimaren-19-oic acid, 19?6 Lactone, 16-sulfate 	C20H30O7S	414.171224	NA	MeJP	NA	NA
+PJ001085	SPPD 	C17H26N4O8	414.1751	NA	PeJP	NA	NA
+MJ057965	Bromotetrasphaerol; 12?-Hydroxy, 1-Me ether 	C21H35BrO3	414.176957	NA	MeJP	NA	NA
+MJ057966	1-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-4-methoxy-4-[(phenylsulfinyl)methyl]piperidine 	C23H27FN2O2S	414.177727	NA	MeJP	NA	NA
+MJ057967	11,12-Methylenedioxykopsinaline; N4-Oxide 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057968	Alkaloid Us 7; 3-Epimer 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057969	Alstonal 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057970	Difforlemenitine 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057971	Elegantissine; Stereoisomer, parent acid(1) 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057972	Elegantissine; Stereoisomer, parent acid(2) 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057973	Isocaboxine A; 7-Epimer, N-oxide 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057974	Isocaboxine A; N-Oxide 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+MJ057975	Majdine; O11-De-Me 	C22H26N2O6	414.179086	NA	MeJP	NA	NA
+PJ001086	CHR 	C15H26N8O4S	414.1798	NA	PeJP	NA	NA
+MJ057976	2-[Propyl[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-3-pyridinecarboxylic acid 	C23H22N6O2	414.180423	NA	MeJP	NA	NA
+MJ057977	Tisocromide 	C19H30N2O6S	414.182457	NA	MeJP	NA	NA
+MJ057978	Spirasineol B; 3',4'-Didehydro 	C27H26O4	414.183109	NA	MeJP	NA	NA
+PJ001087	GTTH 	C16H26N6O7	414.1863	NA	PeJP	NA	NA
+MJ057979	1,4,6,8,15-Pentahydroxy-11(13)-eudesmen-12-oic acid, 8-(2-Hydroxymethyl-2-propenoyl), Me ester 	C20H30O9	414.188982	NA	MeJP	NA	NA
+MJ057980	2-Methyl-6-methylene-2-octene-1,8-diol, 1-Aldehyde, 8-O-(2,6-diacetyl-?-D-glucopyranoside) 	C20H30O9	414.188982	NA	MeJP	NA	NA
+PJ001088	APPM 	C18H30N4O5S	414.1937	NA	PeJP	NA	NA
+C18128	Naltrindole	C26H26N2O3	414.1943	NA	KEGG	NA	NA
+C18129	Monolysocardiolipin	C12H19O16P2R3	414.1943	NA	KEGG	NA	NA
+MJ057981	Naltrindole 	C26H26N2O3	414.194342	NA	MeJP	NA	NA
+C10658	Magnoshinin	C24H30O6	414.2042	NA	KEGG	NA	NA
+C12512	Eplerenone	C24H30O6	414.2042	NA	KEGG	NA	NA
+C12513	Transferred to D01116	C24H30O6	414.2042	NA	KEGG	NA	NA
+C12514	Transferred to D01117	C24H30O6	414.2042	NA	KEGG	NA	NA
+C12515	Transferred to D01118	C24H30O6	414.2042	NA	KEGG	NA	NA
+C12517	Transferred to D01119	C24H30O6	414.2042	NA	KEGG	NA	NA
+C15382	Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate	C24H30O6	414.2042	NA	KEGG	NA	NA
+C15440	Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	C24H30O6	414.2042	NA	KEGG	NA	NA
+MJ057982	1,2,9-Trihydroxydihydro-?-agarofuran, 2-Ketone, 9-benzoyl, 1-Ac, 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057983	1,6,13-Trihydroxy-12,11-drimanolide, 1-Deoxy, 6-benzoyl, 13-Ac 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057984	14,16-Dihydroxy-3,19-dioxobufa-20,22-dienolide 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057985	2',3,4,4',5',6-Hexahydroxy-2,7'-cyclolign-7-ene, Hexa-Me ether 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057986	3,11,14-Trihydroxy-12-oxobufa-9(11),20,22-trienolide 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057987	3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057988	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3-Angeloyl, 6-(2-methylpropanoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057989	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(3-Methyl-2-butenoyl), 6-(2-methyl-2-propenoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057990	3,6-Dihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(2-methyl-2-propenoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057991	3,6-Dihydroxyfuranoeremophilan-9-one, 3-Tigloyl, 6-(2-methyl-2-propenoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057992	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-angeloyl 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057993	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-tigloyl 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057994	5,14,16-Trihydroxy-19-oxobufa-3,20,22-trienolide 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057995	5,6-Dihydroxy-7-protoilluden-14-al, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057996	5,6-Dihydroxy-7-protoilluden-14-al, 6-Me ether, 5-(2,4-dihydroxy-6-methylbenzoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057997	5,9-Dihydroxy-7-protoilluden-14-al, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057998	9,11-Epoxy-17-hydroxy-3-oxopregn-4-ene-7,21-dicarboxylic acid; ? -Lactone; Me ester 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ057999	Bufotalinin 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ058000	Celereoin; 5-O-(6,7-Epoxy-3,7-dimethyl-3-octenyl) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ058001	Clausarin; 6,7-Dihydro, 6,7-dihydroxy (trans-) 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ058002	Marmin, 6'-O-Angeloyl 	C24H30O6	414.204238	NA	MeJP	NA	NA
+MJ058003	Myrtucommulone B 	C24H30O6	414.204238	NA	MeJP	NA	NA
+PJ001089	KMH 	C17H30N6O4S	414.2049	NA	PeJP	NA	NA
+PJ001090	GPLE 	C18H30N4O7	414.2115	NA	PeJP	NA	NA
+3531	ACE inhibitor from as1-CN	PLW	414.215	ACE inhibitor	Inhouse_peptide	NA	peptide
+8044	synthetic peptide	PWI	414.215	anticancer	Inhouse_peptide	NA	peptide
+8045	synthetic peptide	PWL	414.215	anticancer	Inhouse_peptide	NA	peptide
+8187	peptide from buckwheat	WPL	414.215	NA  ;SYN:Monoiodotyrosine; 3-Iodo-L-tyrosine; MIT; 3-Monoiodo-L-tyrosine; 3-Iodotyrosine; 3-Iodo-4-hydroxyphenylalanine; IYR; 3-iodo-tyrosine; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 4-Hydroxy-3-iodophenylalanine; L-Tyrosine-3-iodo; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoateH2Blood	Inhouse_peptide	NA	peptide
+MJ058004	13-Hydroxylupanine; O-(3-Hydroxy-4-methoxybenzoyl) 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058005	13-Hydroxylupanine; O-(4-Hydroxy-3-methoxybenzoyl) 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058006	20-Hydroxycylindrocarine; N-Ac 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058007	Aspidoalbine; N-Depropanoyl, N-Ac 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058008	Chippiine 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058009	Conopharyngine; 19-Hydroxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058010	Conopharyngine; 3-Hydroxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058011	Coronaridine pseudoindoxyl; 10,11-Dimethoxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058012	Crassanine 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058013	Fepromide 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058014	Herbaine; 10-Methoxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058015	Jollyanine 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058016	Malagashanine; 12-Hydroxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058017	Malagashanine; 19-Epimer, 12-hydroxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058018	Mitragynine; ?1-Isomer, 7?-hydroxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058019	Reserpic acid; Me ester 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058020	Rotundifoline; 7-Epimer, Me ether 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058021	Rotundifoline; Me ether 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058022	Seredine 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058023	Strychnofendlerine; 12-Hydroxy, 11-methoxy 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MJ058024	Vindoline, O-De-Ac 	C23H30N2O5	414.215472	NA	MeJP	NA	NA
+MetaCyc03445	17-O-deacetylvindoline [deacetylvindoline;]	C23H30N2O5	414.215472	NA	metacyc	NA	NA
+C01091	Deacetylvindoline	C23H30N2O5	414.2155	NA	KEGG	NA	NA
+PJ001091	GPNK 	C17H30N6O6	414.2227	NA	PeJP	NA	NA
+MJ058025	11,12-Dihydroxy-1(10)-spirovetiven-2-one, 12-O-?-D-Glucopyranoside 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058026	11,12-Dihydroxy-1(10)-spirovetiven-2-one, 11-O-?-D-Glucopyranoside 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058027	3,5,6,8,12,14,17-Heptahydroxypregnan-20-one 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058028	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 4-Alcohol, 2,3,11?,13-tetrahydro, 4-O-?-D-glucopyranoside 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058029	4-Oxo-1(5),2,11(13)-xanthatrien-12,8-olide, 4-Alcohol, 2,3,11?,13-tetrahydro, 4-O-?-D-glucopyranoside 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058030	8,11-Dihydroxy-4-guaien-3-one, 8-Ketone, 11-O-?-D-glucopyranoside 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058031	8,11-Dihydroxy-4-guaien-3-one, 8-O-?-D-Glucopyranoside 	C21H34O8	414.225368	NA	MeJP	NA	NA
+MJ058032	Paciforgin 	C21H34O8	414.225368	NA	MeJP	NA	NA
+C08441	Tentoxin	C22H30N4O4	414.2267	NA	KEGG	NA	NA
+PJ001092	PLW 	C22H30N4O4	414.2267	NA	PeJP	NA	NA
+MJ058033	Tentoxin 	C22H30N4O4	414.226705	NA	MeJP	NA	NA
+MJ058034	Yuzurine 	C24H32NO5	414.228048	NA	MeJP	NA	NA
+MJ058035	1-[3-(9H-Carbazol-9-yl)-1-propyl]-4-(2-methoxyphenyl)-4-piperidinol 	C27H30N2O2	414.230728	NA	MeJP	NA	NA
+MJ058036	Asimadoline 	C27H30N2O2	414.230728	NA	MeJP	NA	NA
+MJ058037	?-Methyl-1-(2,3,4,9-tetrahydro-2-methyl-1H-carbazol-1-yl)-1H-indole-3-butanoic acid; Me ester 	C27H30N2O2	414.230728	NA	MeJP	NA	NA
+MJ058038	Eponemycin; 6''-Hydroxy 	C20H34N2O7	414.236601	NA	MeJP	NA	NA
+MJ058039	1(10),4-Germacradiene-6,8-diol, 8-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058040	1(10)-Guaiene-8,11-diol, 8-(4-Hydroxy-3-methoxycinnamoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058041	1,15-Dihydroxy-9,11(13)-chiloscyphadiene-8,12-dione; 1-O-(4-Methyl-2,4-nonadienoyl)(E,E-) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058042	10,12-Dihydroxy-3-longipinen-5-one; 10?-form, 10,12-Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058043	13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-Angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058044	14,15-Epoxy-3-hydroxycard-20(22)-enolide, Ac 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058045	14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide, 2-Methylbutanoyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058046	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058047	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 19-Carboxylic acid, 18-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058048	19-Norpregna-1,3,5(10),20-tetraen-3-ol; 3-O-?-D-Arabinopyranoside 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058049	3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-Me ether 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058050	4,6-Dimethyl-7-[1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-3,6,8-trimethyl-2-(3-hydroxy-2-oxopropylidene)-1-naphthalenyl]-2,4,6-heptadienoic acid 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058051	8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-tigloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058052	8,10-Dihydroxy-3-longipinen-5-one, 8,10-Bis-O-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058053	8,10-Dihydroxy-3-longipinen-5-one, 8,10-Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058054	8,10-Dihydroxy-3-longipinen-5-one, 8,10-Ditigloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058055	8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl, 10-O-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058056	8,10-Dihydroxy-3-longipinen-5-one, 8-Angeloyl, 10-tigloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058057	8,10-Dihydroxy-3-longipinen-5-one, 8-Tigloyl, 10-O-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058058	8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 7-(3-Methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058059	9,10-Dihydroxy-2,7-himachaladien-4-one, Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058060	9,10-Dihydroxy-3-longipinen-5-one, 9,10-Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058061	Crispatone 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058062	Demethylfurospongin 4 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058063	Furanoeremophilane-1,6-diol, 1-Angeloyl, 6-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058064	Furanoeremophilane-1,6-diol, 6-Angeloyl, 1-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058065	Furanoeremophilane-1,6-diol, Bis(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058066	Furanoeremophilane-1,6-diol, Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058067	Furanoeremophilane-2,3-diol, 2,3-Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058068	Furanoeremophilane-2,3-diol, 2-Angeloyl, 3-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058069	Furanoeremophilane-3,15-diol, 3,15-Diangeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058070	Furanoeremophilane-3,6-diol, 3,6-Di-O-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058071	Furanoeremophilane-3,6-diol, 3-(3-Methyl-2-butenoyl), 6-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058072	Furanoeremophilane-3,6-diol, 6-(3-Methyl-2-butenoyl), 3-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058073	Furanoeremophilane-3,6-diol, 6-Tigloyl, 3-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058074	Furanoeremophilane-3,6-diol, Bis(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058075	Furanoeremophilane-3,9-diol, 3-Angeloyl, 9-(3-methyl-2-butenoyl) 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058076	Ingenol; 20-Deoxy, 3-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058077	Ingenol; 20-Deoxy, 5-angeloyl 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058078	Iryelliptin 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058079	Jaspiferal C 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058080	Luffarin R 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058081	Maurapyrone C 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058082	Tridachiapyrone A; 9?,10?-Epoxide 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058083	Variabilin, 4-Hydroxy 	C25H34O5	414.240624	NA	MeJP	NA	NA
+MJ058084	5-(13-Methylpentadecyl)-1,3-benzenediol; Mono-O-sulfate 	C22H38O5S	414.243995	NA	MeJP	NA	NA
+MJ058085	5-(14-Methylpentadecyl)-1,3-benzenediol; Mono-O-sulfate 	C22H38O5S	414.243995	NA	MeJP	NA	NA
+PJ001093	SPVL 	C19H34N4O6	414.2479	NA	PeJP	NA	NA
+MJ058086	Ascorbic acid, 6-Hexadecanoyl 	C22H38O7	414.261753	NA	MeJP	NA	NA
+MJ058087	Feigrisolide D 	C22H38O7	414.261753	NA	MeJP	NA	NA
+MJ058088	1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine 	C28H34N2O	414.267113	NA	MeJP	NA	NA
+MJ058089	Epopromycin A; 6,7-Dihydro 	C21H38N2O6	414.272986	NA	MeJP	NA	NA
+C11171	Sodium deoxycholate	C24H39O4	414.2746	NA	KEGG	NA	NA
+C10706	Lupulone	C26H38O4	414.277	NA	KEGG	NA	NA
+MJ058090	21-Hydroxypregn-4-ene-3,20-dione; 2,2-Dimethylpropanoyl 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058091	22-Hydroxy-24-methyl-12,24-dioxo-16-scalaren-25-al 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058092	4,17-Dihydroxyestr-4-en-3-one; 17?-form, 17-Cyclopentanepropanoyl 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058093	9,13-Dihydroxy-1,6-tigliadien-3-one, 13-(2,3-Dimethylbutanoyl) 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058094	Adlupulone 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058095	Aglajne 3 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058096	Gestronol; 17-Hexanoyl 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058097	Hyperpapuanone 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058098	Lupulone 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058099	Meliac-14-ene-1,3,7-triol 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058100	Plakinic acid C 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MJ058101	Trifurcatol B1, Dihydro 	C26H38O4	414.277009	NA	MeJP	NA	NA
+MetaCyc03446	lupulone [3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-;]	C26H38O4	414.27701	NA	metacyc	NA	NA
+PJ001094	GLLL 	C20H38N4O5	414.2842	NA	PeJP	NA	NA
+MJ058102	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,20,22-tetracosaundecaen-1-al 	C30H38O	414.292265	NA	MeJP	NA	NA
+MJ058103	Moxipraquine 	C24H38N4O2	414.299476	NA	MeJP	NA	NA
+MJ058104	12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058105	20-Hydroxycholest-1-ene-3,16-dione 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058106	20-Hydroxycholest-1-ene-7,11-dione 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058107	22-Hydroxyfurost-1-en-3-one; 22?-form 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058108	24,25-Epoxy-6-hydroxycholest-4-en-3-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058109	3,25-Dihydroxy-9,10-secocholesta-5,7,10(19)-trien-23-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058110	3,25-Dihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058111	3,5-Dihydroxycholesta-7,22-dien-6-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058112	3,6-Dihydroxy-17-methyl-18-norcholesta-9(11),13-dien-23-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058113	3,6-Dihydroxycholesta-7,25-dien-24-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058114	3,6-Dihydroxycholesta-9(11),20(22)-dien-23-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058115	3,6-Dihydroxycholesta-9(11),24-dien-23-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058116	3-(3,6,9,12-Docosatetraenyl)-5-hydroxy-5-methyl-2(5H)-furanone 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058117	3-Hydroxy-20,29,30-trinor-28,19-lupanolide 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058118	3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid; 3?-form, 3-Ketone 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058119	3-Hydroxycholest-5-ene-7,24-dione 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058120	4-[4-(1,1-Dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-methanol 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058121	5,6-Epoxy-3-hydroxycholest-8(14)-en-7-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058122	5,6-Epoxycholest-8-ene-3,7-diol, 22,23-Didehydro (E-) 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058123	5,8-Epidioxycholesta-6,22-dien-3-ol 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058124	5,8-Epidioxycholesta-6,9(11),22-trien-3-ol, 22,23-Dihydro 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058125	8,25-Dihydroxy-9,10-secocholesta-4,6,10(19)-trien-3-one 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058126	Astrogorgiadiol; 16?-Hydroxy, 9-ketone 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058127	Cabraleahydroxylactone; 3-Ketone 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058128	Metenolone; Heptanoyl 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058129	Minabeolide 4; 1,2-Dihydro 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058130	Spirost-25(27)-en-3-ol 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058131	Spirost-5-en-3-ol 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058132	Spirostan-3-ol, 3-Ketone 	C27H42O3	414.313395	NA	MeJP	NA	NA
+MJ058133	Variecoacetal A 	C27H42O3	414.313395	NA	MeJP	NA	NA
+C08898	Diosgenin	C27H42O3	414.3134	NA	KEGG	NA	NA
+C08918	Yamogenin	C27H42O3	414.3134	NA	KEGG	NA	NA
+C14994	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol	C27H42O3	414.3134	NA	KEGG	NA	NA
+C16509	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione	C27H42O3	414.3134	NA	KEGG	NA	NA
+C16510	C5a anaphylatoxin	C27H42O3	414.3134	NA	KEGG	NA	NA
+MJ058134	1-(Decahydro-2,5,5,8a-tetramethyl-1-naphthalenylethyl)-2,5-dimethylfluorene 	C31H42	414.328651	NA	MeJP	NA	NA
+MJ058135	1-Phenyl-1,3-docosanedione 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058136	14-Methylcholesta-9(11),24-diene-3,7-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058137	22,23-Epoxy-24-methylcholest-5-en-3-ol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058138	28,29-Dinorcycloart-24-ene-3,6-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058139	3-Hydroxy-26,27-dinorlanost-9(11)-en-24-one 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058140	3-Hydroxycholest-5-en-24-one, Me ether 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058141	3-Hydroxyergost-4-en-22-one 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058142	4-Methylcholesta-8,14-diene-3,23-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058143	5,6-Epoxyergost-24(28)-en-3-ol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058144	9,10-Secoergosta-5,7,22-triene-3,25-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058145	Ergost-5-ene-3,7-diol, 7-Ketone 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058146	Ergosta-4,24(28)-diene-3,6-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058147	Ergosta-5,22-diene-3,7-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058148	Ergosta-5,24(28)-diene-3,19-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058149	Ergosta-5,24(28)-diene-3,21-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058150	Ergosta-5,24(28)-diene-3,7-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058151	Ergosta-5,25-diene-3,24-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058152	Ergosta-5,7-diene-3,23-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058153	Ergosta-7,22-diene-3,6-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058154	Ergosta-7,24(28)-diene-3,6-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058155	Ergosta-8(14),22-diene-3,7-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058156	Ergosta-8(14),24(28)-diene-3,7-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058157	Ergosta-9(11),20(22)-diene-3,6-diol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058158	Ergostane-3,6-diol, Diketone 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058159	Phytylplastoquinone 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MJ058160	Stenocereol 	C28H46O2	414.34978	NA	MeJP	NA	NA
+MetaCyc03447	5-&alpha;-ergosta-7, 22-diene-3-&beta;,5-diol []	C28H46O2	414.349781	NA	metacyc	NA	NA
+MetaCyc03448	4&alpha;-hydroxymethyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C28H46O2	414.349781	NA	metacyc	NA	NA
+MetaCyc03449	5-&alpha;-ergosta-7,22-diene-3-&beta;-5-diol []	C28H46O2	414.349781	NA	metacyc	NA	NA
+MetaCyc03450	(22&alpha;)-hydroxy-campest-4-en-3-one [(22S)-22-hydroxy-campest-4-en-3-one;(22S,24R)-22-hydroxy-ergost-4-en-3-one;]	C28H46O2	414.349781	NA	metacyc	NA	NA
+HMDB12113	(22Alpha)-hydroxy-campest-4-en-3-one	C28H46O2	414.349792	NA	HMDB2010	NA	NA
+HMDB12169	4alpha-formyl-5alpha-cholesta-8-en-3beta-ol	C28H46O2	414.349792	NA	HMDB2010	NA	NA
+C04416	5alpha-Ergosta-7,22-diene-3beta,5-diol	C28H46O2	414.3498	NA	KEGG	NA	NA
+C04417	6-alpha-D-(1,4-alpha-D-Glucano)-glucan	C12H22O11	414.3498	NA	KEGG	NA	NA
+C15796	22alpha-Hydroxy-campest-4-en-3-one	C28H46O2	414.3498	NA	KEGG	NA	NA
+MJ058161	3-Aminosolanidan-23-ol 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058162	Buxaminol I; N3,N20,N20-Tri-Me 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058163	Buxaminol I; N3,N3,N20-Tri-Me 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058164	Buxidienine I; 16-Deoxy, N3,N20,N20-Tri-Me 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058165	Buxozine C 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058166	Buxus Alkaloid M 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058167	Cyclobuxamine I; N-Tetra-Me, 6,7-didehydro 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058168	Cyclokoreanine I; N3,N3,N20-Tri-Me 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058169	Cyclovirobuxeine I; N3,N3,N20-Tri-Me 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058170	Cyclovirobuxine I; 1,2-Didehydro, N3,N3,N20-tri-Me 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058171	Solacallinidine 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+MJ058172	Spirosolan-3-amine 	C27H46N2O	414.361014	NA	MeJP	NA	NA
+HMDB11551	MG(0:0/22:0/0:0)	C25H50O4	414.370911	NA	HMDB2010	NA	NA
+HMDB11581	MG(22:0/0:0/0:0)	C25H50O4	414.370911	NA	HMDB2010	NA	NA
+MJ058173	13,14-Secostigmasta-5,20(22)-dien-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058174	13,14-Secostigmasta-9(11),14-dien-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058175	14-Methylergost-9(11)-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058176	14-Methylergostan-3-one 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058177	23-Methyl-A-norergost-22-ene-3-methanol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058178	23-Methylergost-22-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058179	23-Methylergost-7-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058180	23-Methylergostan-3-ol, 5,6-Didehydro 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058181	24,26-Dimethylcholest-5-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058182	24-Ethyl-3-hydroxymethyl-A-nor-22-cholestene 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058183	24-Methylergost-8-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058184	29-Norcycloartan-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058185	3-Hydroxymethyl-A-norstigmast-22-ene 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058186	30-Nor-22-hopanone; 21àH-form, 22S-Alcohol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058187	30-Norlanost-8-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058188	4,14-Dimethylcholest-7-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058189	4,14-Dimethylcholest-8-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058190	4,14-Dimethylcholest-9(11)-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058191	4,23-Dimethylcholest-22-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058192	4-Methylergost-14-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058193	4-Methylergost-7-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058194	4-Methylergost-8(14)-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058195	9,10-Secostigmasta-5,8-dien-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058196	9,19-Cyclo-14,24-dimethylcholestan-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058197	Australinol A 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058198	Australinol B 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058199	Australinol C 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058200	Australinol D 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058201	Australinol E 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058202	Petrostanol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058203	Stigmast-14-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058204	Stigmast-22-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058205	Stigmast-24-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058206	Stigmast-25-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058207	Stigmast-4-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058208	Stigmast-5-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058209	Stigmast-7-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058210	Stigmast-8(14)-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058211	Stigmast-9(11)-en-3-ol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058212	Stigmastan-3-one 	C29H50O	414.386166	NA	MeJP	NA	NA
+MJ058213	Zoanthosterol 	C29H50O	414.386166	NA	MeJP	NA	NA
+MetaCyc03451	4&alpha;,14&alpha;-dimethyl-cholesta-8-enol []	C29H50O1	414.386166	NA	metacyc	NA	NA
+MetaCyc03452	24(25)-dihydrocycloartenol []	C29H50O1	414.386166	NA	metacyc	NA	NA
+MetaCyc03453	sitosterol []	C29H50O1	414.386166	NA	metacyc	NA	NA
+HMDB00649	Clionasterol	C29H50O	414.386169	NA	HMDB2010	NA	NA
+HMDB00852	Beta-Sitosterol	C29H50O	414.386169	NA	HMDB2010	NA	NA
+HMDB06840	4,4-Dimethyl-5a-cholesta-8-en-3b-ol	C29H50O	414.386169	NA	HMDB2010	NA	NA
+HMDB00852	beta-Sitosterol	C29H50O	414.38617	http://www.hmdb.ca/metabolites/HMDB00852	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00649	Clionasterol	C29H50O	414.38617	http://www.hmdb.ca/metabolites/HMDB00649	HMDB	NA	NA
+HMDB00852	beta-Sitosterol	C29H50O	414.38617	http://www.hmdb.ca/metabolites/HMDB00852	HMDB	NA	NA
+HMDB01286	4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol	C29H50O	414.38617	http://www.hmdb.ca/metabolites/HMDB01286	HMDB	NA	NA
+HMDB06840	4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol	C29H50O	414.38617	http://www.hmdb.ca/metabolites/HMDB06840	HMDB	NA	NA
+HMDB00852	beta-Sitosterol	C29H50O	414.38617	http://www.hmdb.ca/metabolites/HMDB00852	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00649	Clionasterol	C29H50O	414.38617	HMDB00649	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00852	beta-Sitosterol	C29H50O	414.38617	HMDB00852	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01286	4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol	C29H50O	414.38617	HMDB01286	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06840	4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol	C29H50O	414.38617	HMDB06840	PFEM_hmdb_metabocards_official	NA	NA
+C01753	Sitosterol	C29H50O	414.3862	NA	KEGG	NA	NA
+C01754	Spiramycin	C43H73N2O14R	414.3862	NA	KEGG	NA	NA
+C04530	4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol	C29H50O	414.3862	NA	KEGG	NA	NA
+C08839	Schottenol	C29H50O	414.3862	NA	KEGG	NA	NA
+C15915	4,4-Dimethyl-5alpha-cholesta-8-en-3beta-ol	C29H50O	414.3862	NA	KEGG	NA	NA
+C15916	Helospectin I	C29H50O	414.3862	NA	KEGG	NA	NA
+C15917	Hydroxychlorobactene glucoside ester	C47H63O7R	414.3862	NA	KEGG	NA	NA
+C15918	Helospectin II	C47H63O7R	414.3862	NA	KEGG	NA	NA
+MJ058214	Cycloprotobuxine I; N-Tetra-Me 	C28H50N2	414.397399	NA	MeJP	NA	NA
+MJ058215	7,11-Cyclo-5,12,26-botryococcatriene 	C30H54	414.422551	NA	MeJP	NA	NA
+MJ058216	Boerhadiffusene 	C30H54	414.422551	NA	MeJP	NA	NA
+8288	Antioxidative peptide	YFYPQL	414.694	MH2+	Inhouse_peptide	NA	peptide
+7894	peptide from human milk b-casein (167-173)	QVVPYPQ	414.7095	MH2+	Inhouse_peptide	NA	peptide
+3480	ACE-inhibitor (b-casein, fr, 177-183)	AVPYPQR	414.7155	MH2+	Inhouse_peptide	NA	peptide
+7875	peptide derived from bovine b-casein (177-183)	AVPYPQR	414.7155	MH2+	Inhouse_peptide	NA	peptide
+3700	NA	RKQDKR	414.73745	MH2+	Inhouse_peptide	NA	peptide
+MJ058217	Discorhabdin A 	C18H14BrN3O2S	414.99901	NA	MeJP	NA	NA
+MJ058218	Chloro(1,2-diaminobenzene)(dimethyl sulfoxide)platinum(II)(1+) 	C8H14ClN2OPtS(+)	415.008485	NA	MeJP	NA	NA
+MJ058219	Dihydroneopterin phosphate 	C9H15N5O10P2	415.029414	NA	MeJP	NA	NA
+MJ058220	N-(3,5-Dichloro-4-pyridinyl)-5-methoxy-4-[(tetrahydro-3-furanyl)oxy]-2-pyridinecarboxamide, N,N'-Dioxide 	C16H15Cl2N3O6	415.03379	NA	MeJP	NA	NA
+MJ058221	Verotetrone 	C19H13NO10	415.053945	NA	MeJP	NA	NA
+MJ058222	Thihexinol methyl(1+); Bromide 	C18H26BrNOS2	415.063918	NA	MeJP	NA	NA
+C11754	Cephaloridine	C19H17N3O4S2	415.066	NA	KEGG	NA	NA
+MJ058223	Cefaloridine 	C19H17N3O4S2	415.066047	NA	MeJP	NA	NA
+C10984	Cypermethrin	C22H19Cl2NO3	415.0742	NA	KEGG	NA	NA
+MJ058224	Halofenate 	C19H17ClF3NO4	415.07982	NA	MeJP	NA	NA
+MJ058225	Acemetacin 	C21H18ClNO6	415.082265	NA	MeJP	NA	NA
+C12471	Chlorobiocic acid	C21H18ClNO6	415.0823	NA	KEGG	NA	NA
+MJ058226	Anthrotainin 	C20H17NO9	415.090331	NA	MeJP	NA	NA
+MJ058227	6-Heptenyl glucosinolate 	C14H25NO9S2	415.097072	NA	MeJP	NA	NA
+C00916	Cephalosporin C	C16H21N3O8S	415.1049	NA	KEGG	NA	NA
+C00917	Chelating agent	C16H21N3O8S	415.1049	NA	KEGG	NA	NA
+MJ058228	Cephalosporin C 	C16H21N3O8S	415.104935	NA	MeJP	NA	NA
+MetaCyc03454	cephalosporin-C []	C16H21N3O8S1	415.104935	61-24-5	metacyc	NA	NA
+MJ058229	Aminophenazone; 4-N-Butyl iodide 	C17H26IN3O	415.112055	NA	MeJP	NA	NA
+MJ058230	Cylindrospermopsin 	C15H21N5O7S	415.116168	NA	MeJP	NA	NA
+MJ058231	Thaliglucinone; N-Me, chloride 	C22H22ClNO5	415.11865	NA	MeJP	NA	NA
+PJ001095	CMY 	C17H25N3O5S2	415.1236	NA	PeJP	NA	NA
+MetaCyc03455	N6-(&Delta;(2)-isopentenyl)adenosine 5'-monophosphate [N6-(&Delta;2-isopentenyl)-adenosine 5'-monophosphate;]	C15H22N5O7P1	415.125685	NA	metacyc	NA	NA
+MetaCyc03456	isopentenyladenosine-5'-monophosphate [iPMP;isopentenyladenosine riboside-5'-monophosphate;iPRMP;]	C15H22N5O7P1	415.125685	NA	metacyc	NA	NA
+C04713	N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate	C15H22N5O7P	415.1257	NA	KEGG	NA	NA
+C04714	alpha-D-Galactosyl-beta-D-galactosyldiacylglycerol	C17H26O15R2	415.1257	NA	KEGG	NA	NA
+MJ058232	Narceimicine 	C21H21NO8	415.126716	NA	MeJP	NA	NA
+MJ058233	Xylostosidine 	C18H25NO8S	415.130087	NA	MeJP	NA	NA
+MJ058234	2-Amino-6-(1,2,3-trihydroxypropyl)-4(1H)-pteridinone, 3'-O-?-D-Glucopyranoside 	C15H21N5O9	415.133927	NA	MeJP	NA	NA
+MJ058235	Quisultazine 	C21H25N3O2S2	415.138818	NA	MeJP	NA	NA
+MJ058236	Milenperone 	C22H23ClFN3O2	415.146282	NA	MeJP	NA	NA
+PJ001096	EMH 	C16H25N5O6S	415.1526	NA	PeJP	NA	NA
+PJ001097	CFF 	C21H25N3O4S	415.1566	NA	PeJP	NA	NA
+7939	synthetic peptide	YYA	415.163	antioxidative	Inhouse_peptide	NA	peptide
+7953	synthetic peptide	AYY	415.163	antioxidative	Inhouse_peptide	NA	peptide
+7957	synthetic peptide	YAY	415.163	antioxidative	Inhouse_peptide	NA	peptide
+MJ058237	10,11-Oxy-10,12a-cyclo-10,11-secocolchicine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058238	6,14-Dihydroxy-7-drimen-12,11-olide, 6-(4-Nitrobenzoyl) 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058239	Adlumiceine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058240	Ceratocapnidine; Me ether 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058241	Colchiciline 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058242	Colchifoline 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058243	Coryrutine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058244	Isoadlumiceine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058245	Leucoxylonine, N-Oxide 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058246	Macrantaline; 2'-Carboxylic acid 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058247	Margrapine A; 6-Me ether 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058248	N-Methylhydrasteine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058249	Narcotinehemiacetal 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058250	Salimine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058251	Zangezurine 	C22H25NO7	415.163102	NA	MeJP	NA	NA
+MJ058252	Donetidine 	C20H25N5O3S	415.16781	NA	MeJP	NA	NA
+PJ001098	GPNE 	C16H25N5O8	415.1703	NA	PeJP	NA	NA
+MJ058253	Sabeluzole 	C22H26FN3O2S	415.172975	NA	MeJP	NA	NA
+8038	synthetic peptide	PHY	415.173	antibacterial	Inhouse_peptide	NA	peptide
+8046	synthetic peptide	PWN	415.1739	anticancer	Inhouse_peptide	NA	peptide
+PJ001099	AYY 	C21H25N3O6	415.1743	NA	PeJP	NA	NA
+MJ058254	Rupatadine 	C26H26ClN3	415.181525	NA	MeJP	NA	NA
+MJ058255	1,2,3,4-Tetrahydro-5-hydroxy-1-hydroxymethyl-6,7-dimethoxy-2-methylisoquinoline; 5-O-?-D-Glucopyranoside 	C19H29NO9	415.184231	NA	MeJP	NA	NA
+PJ001100	PNW 	C20H25N5O5	415.1856	NA	PeJP	NA	NA
+7887	peptide from aS1-casein	YFYPEL	415.186	MH2+	Inhouse_peptide	NA	peptide
+MJ058256	Aszonalenin; Na-Ac 	C25H25N3O3	415.189591	NA	MeJP	NA	NA
+MJ058257	Flesinoxan 	C22H26FN3O4	415.190734	NA	MeJP	NA	NA
+MJ058258	Alpinigenine, Me ether 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058259	Alpinine 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058260	Fusarin A 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058261	Kreysigine, Me ether, N-oxide 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058262	Maistemonine 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058263	Miyaconitine 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058264	Protostemotinine 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+MJ058265	Tobagolide 	C23H29NO6	415.199487	NA	MeJP	NA	NA
+C09331	Alpinine	C23H29NO6	415.1995	NA	KEGG	NA	NA
+PJ001101	GPDK 	C17H29N5O7	415.2067	NA	PeJP	NA	NA
+7991	synthetic peptide	LHF	415.21	inhibitor	Inhouse_peptide	NA	peptide
+MJ058266	Alternarolide III; Deoxy 	C22H29N3O5	415.210721	NA	MeJP	NA	NA
+MJ058267	Zamifenacin 	C27H29NO3	415.214743	NA	MeJP	NA	NA
+PJ001102	GSPR 	C16H29N7O6	415.218	NA	PeJP	NA	NA
+MJ058268	1,2,3,4-Tetrahydro-6-[[(4-methoxyphenyl)sulfonyl]methyl]-N,N-dipropyl-2-naphthalenamine 	C24H33NO3S	415.218114	NA	MeJP	NA	NA
+MJ058269	Echiumine; 2'',3''-Dihydro, 2''R*,3''S*-dihydroxy 	C20H33NO8	415.220617	NA	MeJP	NA	NA
+MJ058270	Lithosenine 	C20H33NO8	415.220617	NA	MeJP	NA	NA
+PJ001103	LHF 	C21H29N5O4	415.222	NA	PeJP	NA	NA
+MJ058271	Isokalihinol F; 10-Isothiocyanate, 10-epimer 	C23H33N3O2S	415.229348	NA	MeJP	NA	NA
+MJ058272	Kalihinol F; 10-Isothiocyanate 	C23H33N3O2S	415.229348	NA	MeJP	NA	NA
+MJ058273	Kalihinol F; 16-Isothiocyanate 	C23H33N3O2S	415.229348	NA	MeJP	NA	NA
+MJ058274	Ajaconine; 15-Epimer, 19-oxo, 15-Ac 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058275	Alkaloid GB 14 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058276	Cardionine 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058277	Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl) 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058278	Spiramine S 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058279	Spiramine Y 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058280	Spiratine B 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+MJ058281	Ternatine 	C24H33NO5	415.235873	NA	MeJP	NA	NA
+PJ001104	APTK 	C18H33N5O6	415.2431	NA	PeJP	NA	NA
+PJ001105	LQR 	C17H33N7O5	415.2543	NA	PeJP	NA	NA
+MJ058282	Antibiotic TAN 2020 	C20H37N3O6	415.268235	NA	MeJP	NA	NA
+MJ058283	Aleicide B 	C25H37NO4	415.272258	NA	MeJP	NA	NA
+MJ058284	Bimatoprost 	C25H37NO4	415.272258	NA	MeJP	NA	NA
+MJ058285	Phomacin C 	C25H37NO4	415.272258	NA	MeJP	NA	NA
+MJ058286	Piericidin; Piericidin A1 	C25H37NO4	415.272258	NA	MeJP	NA	NA
+MJ058287	Salmeterol 	C25H37NO4	415.272258	NA	MeJP	NA	NA
+MJ058288	Vermisporin 	C25H37NO4	415.272258	NA	MeJP	NA	NA
+C07241	Salmeterol	C25H37NO4	415.2723	NA	KEGG	NA	NA
+C07242	Transferred to D00428	C25H37NO4	415.2723	NA	KEGG	NA	NA
+C07243	Transferred to D00429	C25H37NO4	415.2723	NA	KEGG	NA	NA
+C07244	Transferred to D00430	C25H37NO4	415.2723	NA	KEGG	NA	NA
+PJ001106	GVLK 	C19H37N5O5	415.2795	NA	PeJP	NA	NA
+PJ001107	LKR 	C18H37N7O4	415.2907	NA	PeJP	NA	NA
+C12158	Myxalamid A	C26H41NO3	415.3086	NA	KEGG	NA	NA
+MJ058289	Cyclorolfoxazine 	C26H41NO3	415.308644	NA	MeJP	NA	NA
+MJ058290	Myxalamides; Myxalamide A 	C26H41NO3	415.308644	NA	MeJP	NA	NA
+MJ058291	Pingbeinone 	C26H41NO3	415.308644	NA	MeJP	NA	NA
+HMDB13336	3-Hydroxyhexadecanoylcarnitine	C23H45NO5	415.329773	NA	HMDB2010	NA	NA
+HMDB13337	2-Hydroxyhexadecanoylcarnitine	C23H45NO5	415.329773	NA	HMDB2010	NA	NA
+C10826	Tomatidine	C27H45NO2	415.345	NA	KEGG	NA	NA
+MJ058292	16,28-Secosolanid-5-ene-3,16-diol 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058293	3,6-Cevanediol 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058294	Leptinidine; 5,6-Dihydro 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058295	Solafloridine 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058296	Spirosolan-3-ol 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058297	Spirostan-3-amine 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058298	Verazine; 12?-Hydroxy, 22S,N-dihydro 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+MJ058299	Vertaline B; 16-Deoxy 	C27H45NO2	415.345029	NA	MeJP	NA	NA
+HMDB12173	4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol	C28H47O2	415.357605	NA	HMDB2010	NA	NA
+MJ058300	Fromia monilis Alkaloid 	C23H49N3O3	415.377392	NA	MeJP	NA	NA
+MJ058301	3-(7,16-Tricosadienyl)-1H-pyrrole-2-carboxaldehyde, 7',8'-Dihydro 	C28H49NO	415.381415	NA	MeJP	NA	NA
+7882	peptide from tropomyosin, pork muscles	DAQEKLE	415.69195	MH2+	Inhouse_peptide	NA	peptide
+31	Myofibrillar	DAQEKLE	415.693	MH2+	Inhouse_peptide	NA	peptide
+C06651	6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-	C14H9Cl5O4	415.8943	NA	KEGG	NA	NA
+MJ058302	6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate 	C14H9Cl5O4	415.894347	NA	MeJP	NA	NA
+C11223	Ferbam	C29H40N2O9	415.9174	NA	KEGG	NA	NA
+MJ058303	Cyclocymopol; 1'-Me ether 	C17H22Br2O2	415.998655	NA	MeJP	NA	NA
+MJ058304	Cercophorin B 	C20H16O10	416.074346	NA	MeJP	NA	NA
+MJ058305	Cercophorin C 	C20H16O10	416.074346	NA	MeJP	NA	NA
+MJ058306	Protocetraric acid; Mono-Ac 	C20H16O10	416.074346	NA	MeJP	NA	NA
+MJ058307	Stictic acid; 1''-Carboxylic acid, Me ester 	C20H16O10	416.074346	NA	MeJP	NA	NA
+MJ058308	Quinacillin 	C18H16N4O6S	416.079054	NA	MeJP	NA	NA
+C13110	Propicillin potassium	C18H21N2O5S	416.0808	NA	KEGG	NA	NA
+C13111	Transferred to D01650	C18H21N2O5S	416.0808	NA	KEGG	NA	NA
+FL5FAANN0001	Calomelanol D;(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione	C24H16O7	416.0896	141897-14-5	knapsack	NA	NA
+MJ058309	Calomelanol D 	C24H16O7	416.089602	NA	MeJP	NA	NA
+MJ058310	Roseanone 	C24H16O7	416.089602	NA	MeJP	NA	NA
+MJ058311	Spiromentin A 	C24H16O7	416.089602	NA	MeJP	NA	NA
+MJ058312	O-Carbamoyl-deacetylcephalosporin C 	C15H20N4O8S	416.100184	NA	MeJP	NA	NA
+MJ058313	Antibiotic A 16886A 	C15H20N4O8S	416.100184	NA	MeJP	NA	NA
+MJ058314	Chitinovorin C 	C15H20N4O8S	416.100184	NA	MeJP	NA	NA
+C06568	O-Carbamoyl-deacetylcephalosporin C	C15H20N4O8S	416.1002	NA	KEGG	NA	NA
+C07664	Trovafloxacin	C20H15F3N4O3	416.1096	NA	KEGG	NA	NA
+MJ058315	Trovafloxacin 	C20H15F3N4O3	416.109624	NA	MeJP	NA	NA
+C10216	Daidzin	C21H20O9	416.1107	NA	KEGG	NA	NA
+C10316	Chrysophanol 8-O-beta-D-glucoside	C21H20O9	416.1107	NA	KEGG	NA	NA
+C10346	Frangulin A	C21H20O9	416.1107	NA	KEGG	NA	NA
+C10524	Puerarin	C21H20O9	416.1107	NA	KEGG	NA	NA
+C15580	Flavonol 7-O-beta-D-glucoside	C21H20O9	416.1107	NA	KEGG	NA	NA
+FL1A1AGS0001	Hispidol 6-glucoside	C21H20O9	416.11073	20550-08-7	knapsack	NA	NA
+FL1AAAGS0001	4,6,4'-Trihydroxyaurone 6-rhamnoside	C21H20O9	416.11073	124089-65-2	knapsack	NA	NA
+FL3F18GS0001	7,2'-Dihydroxyflavone 7-glucoside	C21H20O9	416.11073	140187-26-4	knapsack	NA	NA
+FL3F1ACS0001	Bayin;8-beta-D-Glucopyranosyl-4',7-dihydroxyflavone	C21H20O9	416.11073	3681-96-7	knapsack	NA	NA
+FL3F1AGS0001	7,4'-Dihydroxyflavone 7-glucoside	C21H20O9	416.11073	20633-86-7	knapsack	NA	NA
+FL3F1AGS0002	Sophoraflavone B	C21H20O9	416.11073	22052-75-1	knapsack	NA	NA
+FL3F9CGS0001	3',4'-Dihydroxyflavone 4'-glucoside	C21H20O9	416.11073	-	knapsack	NA	NA
+FL3FA9CS0004	Chrysin 8-C-beta-D-glucopyranoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one	C21H20O9	416.11073	160880-89-7	knapsack	NA	NA
+FL3FA9CS0005	Chrysin 6-C-beta-D-glucopyranoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one	C21H20O9	416.11073	28368-57-2	knapsack	NA	NA
+FL3FA9GS0001	Toringin	C21H20O9	416.11073	1329-10-8	knapsack	NA	NA
+FL3FA9GS0002	Aequinetin	C21H20O9	416.11073	31025-53-3	knapsack	NA	NA
+FL3FA9GS0003	Chrysin 7-galactoside	C21H20O9	416.11073	73036-52-9	knapsack	NA	NA
+FL3FAACS0007	Isofurcatain;6-C-alpha-L-Rhamnosylapigenin;6-(6-Deoxy-alpha-L-mannopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O9	416.11073	40789-19-3	knapsack	NA	NA
+FL3FAAGS0007	Apigenin 7-rhamnoside	C21H20O9	416.11073	88109-95-9	knapsack	NA	NA
+FL3FCACS0001	Isomolludistin;6-alpha-L-Arabinopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C21H20O9	416.11073	92633-64-2	knapsack	NA	NA
+FL3FCACS0002	Molludistin;8-alpha-L-Arabinopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C21H20O9	416.11073	66274-25-7	knapsack	NA	NA
+FL3FE9GS0004	Baicalein 7-rhamnoside	C21H20O9	416.11073	60092-35-5	knapsack	NA	NA
+FL3FE9GS0013	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-xylopyranoside;5-Hydroxy-7-methoxy-2-phenyl-6-(b-D-xylopyranosyloxy)-4H-1-benzopyran-4-one	C21H20O9	416.11073	273205-83-7	knapsack	NA	NA
+FL3FGGNS0009	Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one	C21H20O9	416.11073	73340-44-0	knapsack	NA	NA
+FL5FA9GS0001	Galangin 3-rhamnoside	C21H20O9	416.11073	72463-31-1	knapsack	NA	NA
+FL5FFCNS0028	Gossypetin 7,4'-dimethyl ether 8-butyrate	C21H20O9	416.11073	69306-86-1	knapsack	NA	NA
+FL5FGCNS0020	Melicophyllin	C21H20O9	416.11073	119968-22-8	knapsack	NA	NA
+FL5FGCNS0024	Melibentin;3,5,6,7,8-Pentamethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one	C21H20O9	416.11073	5071-42-1	knapsack	NA	NA
+FLIA1ACS0001	Puerarin;Kakonein	C21H20O9	416.11073	3681-99-0	knapsack	NA	NA
+FLIA1AGS0001	Daidzin;Daidzein 7-O-glucoside;Daidzoside	C21H20O9	416.11073	552-66-9	knapsack	NA	NA
+FLIA1AGS0004	Daidzein 4'-O-glucoside	C21H20O9	416.11073	58970-69-7	knapsack	NA	NA
+FLIA3AGS0005	Retusin 8-O-arabinoside	C21H20O9	416.11073	119060-87-6	knapsack	NA	NA
+FLIFHXNS0004	6-Acetyldihydrostemonal;11-Hydroxy-2,3,9-trimethoxy-6-acetoxyrotenone	C21H20O9	416.11073	125164-62-7	knapsack	NA	NA
+FLNAA9GS0001	Serratin 7-O-glucoside;5,7-Dihydroxy-4-phenylcoumarin 7-O-glucoside	C21H20O9	416.11073	83161-47-1	knapsack	NA	NA
+MJ058316	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058317	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-?-L-xylopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058318	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058319	1,3-Dihydroxy-2-methylanthraquinone; 3-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058320	1,8-Dihydroxy-3-methylanthraquinone; 1-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058321	1,8-Dihydroxy-3-methylanthraquinone; 8-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058322	2',7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058323	2-Hydroxy-3-hydroxymethylanthraquinone; 2-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058324	3',4',5,5',6,7,8-Heptahydroxyflavone; 5,5',6,7,8-Penta-Me, 3',4'-methylene ether 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058325	3',4'-Dihydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058326	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,5,6,7,8-penta-Me ether 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058327	3,3',4',5,6,7,8-Heptahydroxyflavone; 6,7-Methylene, 3,3',4',5,8-penta-Me ether 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058328	3,3',4',5,7,8-Hexahydroxyflavone; 4',7-Di-Me ether, 8-O-butanoyl 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058329	3,5,7-Trihydroxyflavone; 3-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058330	3,5,7-Trihydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058331	3,5-Dihydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058332	3,7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058333	4',5,7-Trihydroxyflavone; 5-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058334	4',5,7-Trihydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058335	4',5,7-Trihydroxyisoflavone; 4'-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058336	4',6-Dihydroxyaurone, 6-O-?-D-Glucopyranosyl 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058337	4',7,8-Trihydroxyisoflavone; 4'-Me ether, 8-O-?-L-arabinopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058338	4',7-Dihydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058339	4',7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058340	4',7-Dihydroxyisoflavone; 4'-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058341	4',7-Dihydroxyisoflavone; 7-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058342	4,4',6-Trihydroxyaurone; 6-O-?-L-Rhamnopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058343	5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-?-D-xylopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058344	5,6,7-Trihydroxyflavone; 7-O-?-L-Rhamnofuranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058345	5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058346	5,7-Dihydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058347	5,7-Dihydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058348	5,7-Dihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058349	6-Glucosyl-5,7-dihydroxyflavone 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058350	8-Glucosyl-5,7-dihydroxyflavone 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058351	Aleuritin 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058352	Bayin 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058353	Cleomiscosin A; 5'-Methoxy 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058354	Cleomiscosin B; 5''-Methoxy 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058355	Dihydrostemonal; 6-Ac 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058356	Hemidesmin 1 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058357	Mollupentin; 7-Me ether 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058358	Phenarctin 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058359	Pterocarposide 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058360	Puerarin 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058361	Steffimycinol 	C21H20O9	416.110732	NA	MeJP	NA	NA
+MJ058362	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside 	C21H21O9(+)	416.110732	NA	MeJP	NA	NA
+MJ058363	4',5,7-Trihydroxyflavylium(1+); 5-O-?-D-Glucopyranoside 	C21H21O9(+)	416.110732	NA	MeJP	NA	NA
+MJ058364	4',5,7-Trihydroxyflavylium(1+); 7-O-?-D-Glucopyranoside 	C21H21O9(+)	416.110732	NA	MeJP	NA	NA
+MetaCyc03457	daidzin []	C21H20O9	416.110732	NA	metacyc	NA	NA
+C17719	Tenitramine	C10H20N6O12	416.1139	NA	KEGG	NA	NA
+MJ058365	19,20-Dichloro-1,9:6,7-diepoxy-14-hydroxy-10,12-xenicadien-17,18-olide 	C20H26Cl2O5	416.115729	NA	MeJP	NA	NA
+MJ058366	Nikkomycin N 	C15H20N4O10	416.117942	NA	MeJP	NA	NA
+MJ058367	Ramatroban 	C21H21FN2O4S	416.120606	NA	MeJP	NA	NA
+MJ058368	Bromerguride 	C20H25BrN4O	416.121174	NA	MeJP	NA	NA
+MJ058369	Iofendylate 	C19H29IO2	416.121223	NA	MeJP	NA	NA
+MJ058370	Aldostatin 	C20H20N2O8	416.121965	NA	MeJP	NA	NA
+MJ058371	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2,3-Dihydroxy-2-methylpropanoyl) 	C19H25ClO8	416.123795	NA	MeJP	NA	NA
+MJ058372	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2R-hydroxy-2-methylpropanoyl) 	C19H25ClO8	416.123795	NA	MeJP	NA	NA
+MJ058373	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2S-hydroxy-2-methylpropanoyl) 	C19H25ClO8	416.123795	NA	MeJP	NA	NA
+MJ058374	?-[2-(4-Methoxyphenyl)-2-oxo-1-(phenylmethyl)ethylidene]-1,3-benzodioxole-5-acetic acid 	C25H20O6	416.125988	NA	MeJP	NA	NA
+MJ058375	Interruptin B; 2',3'-Dihydro, 2?-hydroxy 	C25H20O6	416.125988	NA	MeJP	NA	NA
+MJ058376	Interruptin E 	C25H20O6	416.125988	NA	MeJP	NA	NA
+MJ058377	Ohioensin C; 5-Methoxy, 3-Me ether 	C25H20O6	416.125988	NA	MeJP	NA	NA
+MJ058378	1-O-Coumaroylglycerol, 3'-Hydroxy, 3-O-?-D-glucopyranoside 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058379	1-O-Coumaroylglycerol, 3'-Hydroxy, 2-O-?-D-glucopyranoside 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058380	1-O-Coumaroylglycerol, 3'-Hydroxy, 3-O-?-D-glucopyranoside 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058381	1-O-Glucopyranosylglycerol; 3'-O-(3,4-Dihydroxycinnamoyl) 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058382	1-O-Glucopyranosylglycerol; 4'-O-(3,4-Dihydroxycinnamoyl) 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058383	1-O-Glucopyranosylglycerol; 6'-O-(3,4-Dihydroxycinnamoyl) 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058384	2-Hydroxybenzaldehyde; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058385	2-O-Coumaroylglycerol, 3''-Hydroxy, 1-O-?-D-glucopyranoside 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058386	Arborescosidic acid; 10-Ac 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058387	Geniposidic acid; 10-Ac 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058388	Swertiamarin; 2'-Ac 	C18H24O11	416.131861	NA	MeJP	NA	NA
+MJ058389	5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol 	C24H20N2O5	416.137221	NA	MeJP	NA	NA
+MJ058390	Antibiotic FO 2338; Antibiotic FO 2338A 	C23H25ClO5	416.139051	NA	MeJP	NA	NA
+MJ058391	Antibiotic FO 2338; Antibiotic FO 2338B 	C23H25ClO5	416.139051	NA	MeJP	NA	NA
+MJ058392	Guisinol 	C23H25ClO5	416.139051	NA	MeJP	NA	NA
+MJ058393	Isochromophilone Ia 	C23H25ClO5	416.139051	NA	MeJP	NA	NA
+MJ058394	Decamethonium(2+); Dibromide 	C16H38Br2N2	416.140174	NA	MeJP	NA	NA
+MJ058395	Halopemide 	C21H22ClFN4O2	416.141531	NA	MeJP	NA	NA
+C10544	1-Acetoxypinoresinol	C22H24O8	416.1471	NA	KEGG	NA	NA
+FL5FEANI0003	Aliarin	C22H24O8	416.14711	84294-77-9	knapsack	NA	NA
+FL5FEANI0006	3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one	C22H24O8	416.14711	343337-04-2	knapsack	NA	NA
+MJ058396	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058397	2',3,4,4',5,5'-Hexahydroxylignan-9,9'-olide, 4',5'-Methylene, 3,4,5-tri-Me ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058398	2',4',5,5',7-Pentahydroxy-3'-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 4',5'-di-Me ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058399	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-[2-(Acetoxymethyl)-2-butenoyl](E) 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058400	3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 3,6-di-Me ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058401	3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 5,6-di-Me ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058402	3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 8-(2-acetoxymethyl-2E-butenoyl) 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058403	3,6:7,8-Diepoxy-13-hydroxy-18-oxo-3,5,11,15-cembratetraen-20,10-olide, 11?,12?-Epoxide, Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058404	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl), butyl ester 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058405	4',7-Dihydroxyflavanone, 4'-Me ether, 7-O-?-L-rhamnopyranoside 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058406	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3,6,20-Triketone, 19-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058407	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,7-Diketone, 19-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058408	5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Angeloyl, 8-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058409	8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058410	8,9-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058411	8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 8-[2-(Acetoxymethyl)-2-butenoyl](E-) 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058412	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxy, 9-ketone, 8-O-(2-acetoxymethyl-2E-butenoyl) 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058413	8-Hydroxypinoresinol; 8-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058414	9-Hydroxy-3,3',4,4',5-pentamethoxy-7,9'-epoxylignan-7'-one, 3,4-Di-de-O-Me, 3,4-methylene ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058415	Alnumycin 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058416	Antibiotic BE 41956B1 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058417	Byakangelicin, 2'-O-Angeloyl 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058418	Deoxypodophyllic acid 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058419	Exfoliamycin; 3-Deoxy, 3,4-didehydro 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058420	Imbricaric acid; 2''-Oxo, O-de-Me 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058421	Isobyakangelicin, 2'-O-Angeloyl 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058422	Isopseudocyphellarin A; 2'-Me ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058423	Lirionol 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058424	Majucin; 4-Deoxy, 10-benzoyl 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058425	Plaunol D; 12-Ac 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058426	Podorhizol 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058427	Polemannone; 4,5;4',5'-Bis(methylenedioxy) 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058428	Pseudocyphellarin B; 1''-Aldehyde, 2'-Me ether 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058429	Richardianidin 1; 5?-Hydroxy 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058430	Richardianidin 1; Isomer, 5?-hydroxy 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058431	Salvilanguiduline A 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058432	Schizantherin P 	C22H24O8	416.147117	NA	MeJP	NA	NA
+MJ058433	Teubrevin A 	C22H24O8	416.147117	NA	MeJP	NA	NA
+PJ001108	GTCH 	C15H24N6O6S	416.1478	NA	PeJP	NA	NA
+MJ058434	O-?-D-Galactopyranosyl-(1?2)-O-?-D-glucopyranosyl-(1?1)-D-glycerol 	C15H28O13	416.15299	NA	MeJP	NA	NA
+PJ001109	GPDE 	C16H24N4O9	416.1544	NA	PeJP	NA	NA
+8040	synthetic peptide	PWD	416.1579	antioxidative	Inhouse_peptide	NA	peptide
+MJ058435	Furnidipine 	C21H24N2O7	416.158351	NA	MeJP	NA	NA
+MJ058436	Oxopropaline D, 2'-O-?-L-Rhamnopyranoside 	C21H24N2O7	416.158351	NA	MeJP	NA	NA
+MJ058437	Oxopropaline D, 3'-O-?-L-Rhamnopyranoside 	C21H24N2O7	416.158351	NA	MeJP	NA	NA
+MJ058438	Disulfbumide 	C22H28N2O2S2	416.159219	NA	MeJP	NA	NA
+MJ058439	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 6-(3-Chloro-2-hydroxy-2-methylbutanoyl) 	C20H29ClO7	416.16018	NA	MeJP	NA	NA
+FLIA1LNP0005	Munetone	C26H24O5	416.16237	06/07/5772	knapsack	NA	NA
+FLNAA9NP0004	Apetalolide	C26H24O5	416.16237	22562-09-0	knapsack	NA	NA
+MJ058440	7-Acetyl-1-(5-acetyl-2-benzofuranyl)-1,2,3,4-tetrahydro-4-hydroxy-1,4-dimethyldibenzofuran 	C26H24O5	416.162373	NA	MeJP	NA	NA
+MJ058441	Apetatolide 	C26H24O5	416.162373	NA	MeJP	NA	NA
+MJ058442	Calophyllolide 	C26H24O5	416.162373	NA	MeJP	NA	NA
+MJ058443	Munetone 	C26H24O5	416.162373	NA	MeJP	NA	NA
+MJ058444	Ohioensin C; 14?-Alcohol, 1,3,14-tri-Me ether 	C26H24O5	416.162373	NA	MeJP	NA	NA
+C09158	Calophyllolide	C26H24O5	416.1624	NA	KEGG	NA	NA
+MJ058445	Pyrinoline 	C27H20N4O	416.163711	NA	MeJP	NA	NA
+PJ001110	SSSH 	C15H24N6O8	416.1656	NA	PeJP	NA	NA
+MJ058446	2-Phenylethanol; O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C19H28O10	416.168247	NA	MeJP	NA	NA
+MJ058447	2-Phenylethanol; O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] 	C19H28O10	416.168247	NA	MeJP	NA	NA
+MJ058448	2-Phenylethanol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O10	416.168247	NA	MeJP	NA	NA
+MJ058449	2-Phenylethanol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O10	416.168247	NA	MeJP	NA	NA
+MJ058450	6-O-?-L-Rhamnopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside 	C19H28O10	416.168247	NA	MeJP	NA	NA
+MJ058451	Xanthiol 	C23H29ClN2OS	416.168911	NA	MeJP	NA	NA
+PJ001111	PDW 	C20H24N4O6	416.1696	NA	PeJP	NA	NA
+PJ001112	PPTC 	C17H28N4O6S	416.173	NA	PeJP	NA	NA
+MJ058452	Cyproterone; Ac 	C24H29ClO4	416.175437	NA	MeJP	NA	NA
+PJ001113	NHF 	C19H24N6O5	416.1808	NA	PeJP	NA	NA
+C09413	Erioflorin methacrylate	C23H28O7	416.1835	NA	KEGG	NA	NA
+MJ058453	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3,8-Bis(2-methylpropenoyl) 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058454	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-20,12-olid-18-oic acid, 6-Ac, Me ester 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058455	3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,4-Methylene, 3',4',5,5'-tetra-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058456	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, Penta-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058457	3,3',4,4',9,9'-Hexahydroxy-7,7'-epoxylignan, 3,4-Methylene, 3',4',9,9'-tetra-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058458	3,4-Dihydro-7,8-dihydroxy-5-methoxy-3,10-dimethyl-4-oxo-2H-naphtho[2,3-b]pyran-3-butanoic acid; Isopropyl ester 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058459	3-(3,4-Dimethoxybenzyl)-4-(3,4,5-trimethoxybenzyl)-2(3H)-furanone 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058460	5,6-Dihydroxy-7-protoilluden-14-al, 14-Carboxylic acid, 5-(2,4-dihydroxy-6-methylbenzoyl) 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058461	6,7,11-Trihydroxy-3-oxo-1,8,11,13-abietatetraen-19-oic acid, 6-Ac, Me ester 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058462	7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(2,4-dihydroxy-6-methylbenzoyl) 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058463	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(2-Methylpropenoyl), 11-(2-methylpropanoyl) 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058464	Chrysophyllon IB 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058465	Chrysophyllon IIB 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058466	Chrysophyllon IIIB 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058467	Clusin; 9-Epimer, Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058468	Clusin; Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058469	Divaricatic acid ; 2,2'-Di-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058470	Gomisin A 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058471	Gomisin O 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058472	Hexademethylpyrimidatin A; 3',4,4',5,5'-Penta-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058473	Hexademethylpyrimidatin A; 3,4,4',5,5'-Penta-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058474	Hexademethylpyrimidatin A; Atropisomer, 3',4,4',5,5'-penta-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058475	Hexademethylpyrimidatin A; Atropisomer, 3,3',4,4',5'-penta-Me ether 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058476	Imbricaric acid 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058477	Isogomisin O 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058478	Isosphaeric acid 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058479	Kadsulignan A 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058480	Magnofargesin 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058481	Magnoliadiol 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058482	Magnolin 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058483	Megaphyllone; Ac 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058484	Norlobariol 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058485	Schizanlignone B 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058486	Sphaerophorin 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058487	Stenosporic acid 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058488	Virolongin A, 9'-Oxo 	C23H28O7	416.183503	NA	MeJP	NA	NA
+MJ058489	Xanthomonasin B 	C23H28O7	416.183503	NA	MeJP	NA	NA
+PJ001114	APTE 	C17H28N4O8	416.1907	NA	PeJP	NA	NA
+MJ058490	7-Hydroxy-3-oxo-3,7-secorhynchophylline 	C22H28N2O6	416.194736	NA	MeJP	NA	NA
+MJ058491	Chitosenine 	C22H28N2O6	416.194736	NA	MeJP	NA	NA
+MJ058492	Elymoclavine; O-?-D-Fructofuranoside 	C22H28N2O6	416.194736	NA	MeJP	NA	NA
+MJ058493	Gardneramine oxindole; 16-Epimer, O18-de-Me 	C22H28N2O6	416.194736	NA	MeJP	NA	NA
+MJ058494	Gardneramine oxindole; O18-De-Me 	C22H28N2O6	416.194736	NA	MeJP	NA	NA
+MJ058495	Rotundifoline; N-Oxide 	C22H28N2O6	416.194736	NA	MeJP	NA	NA
+MJ058496	4-Ethyl-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid 	C23H24N6O2	416.196074	NA	MeJP	NA	NA
+MJ058497	9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzyl)-8-prenylphenanthrene; 2-Me ether 	C27H28O4	416.198759	NA	MeJP	NA	NA
+MJ058498	9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzyl)-8-prenylphenanthrene; 4-Me ether 	C27H28O4	416.198759	NA	MeJP	NA	NA
+MJ058499	Hosloquinone; Benzoyl 	C27H28O4	416.198759	NA	MeJP	NA	NA
+MJ058500	Spirasineol B 	C27H28O4	416.198759	NA	MeJP	NA	NA
+PJ001115	AAQQ 	C16H28N6O7	416.202	NA	PeJP	NA	NA
+C07310	Spironolactone	C24H32O4S	416.2021	NA	KEGG	NA	NA
+MJ058501	Spironolactone 	C24H32O4S	416.20213	NA	MeJP	NA	NA
+MJ058502	2-(5-Hydroxy-2-pentenyl)-3-oxocyclopentaneacetic acid, O-?-D-Glucopyranoside, Et ester 	C20H32O9	416.204632	NA	MeJP	NA	NA
+MJ058503	2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(2,6-Diacetyl-?-D-glucopyranoside) 	C20H32O9	416.204632	NA	MeJP	NA	NA
+MJ058504	2-Methyl-6-methylene-2-octene-1,8-diol, 1-Ac, 8-O-(6-acetyl-?-D-glucopyranoside) 	C20H32O9	416.204632	NA	MeJP	NA	NA
+MJ058505	2-Methyl-6-methylene-2-octene-1,8-diol, 8-O-(2,6-Diacetyl-?-D-glucopyranoside) 	C20H32O9	416.204632	NA	MeJP	NA	NA
+MJ058506	2-Methyl-6-methylene-7-octene-2,3-diol; 2-O-(2-O-Acetyl-?-D-glucopyranoside), 3-Ac 	C20H32O9	416.204632	NA	MeJP	NA	NA
+MJ058507	Cassioside 	C20H32O9	416.204632	NA	MeJP	NA	NA
+PJ001116	GPPF 	C21H28N4O5	416.206	NA	PeJP	NA	NA
+PJ001117	GPLM 	C18H32N4O5S	416.2094	NA	PeJP	NA	NA
+PJ001118	NQR 	C15H28N8O6	416.2132	NA	PeJP	NA	NA
+MJ058508	Zanoterone 	C23H32N2O3S	416.213363	NA	MeJP	NA	NA
+MJ058509	1,2-Dimethyl-3,4-bis(2,4,5-trimethoxyphenyl)cyclobutane 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058510	1,20-Dihydroxy-13-oxo-1,3(20),6,10,15(17)-phytapentaen-16-al, Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058511	1,6-Dihydroxyfuranoeremophilan-9-one, 1-Angeloyl, 6-(methylpropanoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058512	14,15-Epoxy-3,12,16-trihydroxybufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058513	14,15-Epoxy-3,16,19-trihydroxybufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058514	14,15-Epoxy-3,5,11-trihydroxybufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058515	14,15-Epoxy-3,5,16-trihydroxybufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058516	17,18-Epoxy-6,18-dihydroxy-1(19),7,10(17),13-xenicatetraen-11-one, Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058517	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2,14-Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058518	3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058519	3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058520	3,19-Dihydroxy-13(16),14-spongiadien-2-one; 3?-form, Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058521	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058522	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(2-Methyl-2-propenoyl), 6-(3-methylbutanoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058523	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(3-Methyl-2-butenoyl), 6-(2-methylpropanoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058524	3,6-Dihydroxyfuranoeremophilan-9-one, 3-Tigloyl, 6-(2-methylpropanoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058525	4,6-Dihydroxy-7-daucen-9-one, 6-(3,4-Dimethoxybenzoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058526	6,14-Dihydroxy-3,7,11,15(17)-cembratetraen-16,2-olide, Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058527	6,7-Dihydroxy-16-atisene-19,20-dial, Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058528	6,7-Dihydroxy-17-vouacapanoic acid, 17-Aldehyde, 6,7-di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058529	6,9-Dihydroxyfuranoeremophilan-1-one, 6-Angeloyl, 9-(2-Methylpropanoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058530	6-Protoilludene-5,8,14-triol, 5-O-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058531	7,14-Dihydroxy-11,16-dioxo-8-apianen-22,6-olide, 7-Me ether 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058532	7,18:11,12-Diepoxy-5,7,17-briaratriene-4,14-diol; Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058533	7,8-Epoxy-2,3,14-trihydroxybufa-20,22-dienolide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058534	8,20-Dihydroxy-14-serrulaten-19-oic acid; Di-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058535	8-Daucene-2,4,6-triol, 6-(4-Hydroxybenzoyl), 2-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058536	Atranone A 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058537	Blancoic acid 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058538	Cauferinin 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058539	Citreoviridin D 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058540	Deoxyschizandrin 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058541	Desonide 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058542	Diasarone 1 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058543	Diasarone 2 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058544	Feropolol; 3'-Ketone 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058545	Methylprednisolone; 21-Ac 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058546	Okilactomycin 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058547	Oligosporol A; 1-Ketone 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058548	Phyltetralin 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058549	Rietone 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058550	Sidisterone 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058551	Umbelliprenin; 10',11'-Dihydro, 9',10',11'-trihydroxy (9R*,10S*) 	C24H32O6	416.219888	NA	MeJP	NA	NA
+MJ058552	Verrucosidin 	C24H32O6	416.219888	NA	MeJP	NA	NA
+C08179	Methylprednisolone acetate	C24H32O6	416.2199	NA	KEGG	NA	NA
+C16951	Deoxyschizandrin	C24H32O6	416.2199	NA	KEGG	NA	NA
+C16969	Hellebrigenin	C24H32O6	416.2199	NA	KEGG	NA	NA
+MJ058553	N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-methyl-4-(4-pyridinyl)benzamide 	C25H28N4O2	416.221226	NA	MeJP	NA	NA
+PJ001119	GVLE 	C18H32N4O7	416.2271	NA	PeJP	NA	NA
+MJ058554	6-Bromo-5,9-docosadienoic acid 	C22H41BrO2	416.228993	NA	MeJP	NA	NA
+8019	synthetic peptide	LWV	416.231	antibacterial	Inhouse_peptide	NA	peptide
+MJ058555	Cadiamine; O8-(Hydroxyphenylacetyl) 	C23H32N2O5	416.231122	NA	MeJP	NA	NA
+MJ058556	Ramiprilat; 4'-Et ester 	C23H32N2O5	416.231122	NA	MeJP	NA	NA
+MJ058557	Sitsirikine; 16-Epimer, dihydro, 10,11-dimethoxy 	C23H32N2O5	416.231122	NA	MeJP	NA	NA
+MJ058558	Zabiciprilat; 1-Et ester 	C23H32N2O5	416.231122	NA	MeJP	NA	NA
+HMDB07007	CPA(18:2(9Z,12Z)/0:0)	C21H37O6P	416.232788	NA	HMDB2010	NA	NA
+PJ001120	LER 	C17H32N6O6	416.2384	NA	PeJP	NA	NA
+MJ058559	1(10),4-Germacradiene-2,6,11-triol, 6-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058560	10,11-Epoxy-2,7-guaianediol, 2-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058561	10,11-Epoxy-2,8-guaianediol, 8-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058562	11-Eudesmene-3,4,8-triol, 3-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058563	3-Eudesmene-1,6,11-triol, 6-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058564	4(15)-Eudesmene-1,6,11-triol, 6-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058565	4(15)-Eudesmene-2,3,11-triol, 11-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058566	6-Eudesmene-3,5,9-triol, 3-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058567	9-Eremophilene-1,11,12-triol, 12-O-?-D-Glucopyranoside 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058568	Pregnane-3,5,6,8,12,14,17,20-octol 	C21H36O8	416.241018	NA	MeJP	NA	NA
+MJ058569	Elarofiban 	C22H32N4O4	416.242355	NA	MeJP	NA	NA
+MJ058570	Tentoxin, 8?,14-Dihydro 	C22H32N4O4	416.242355	NA	MeJP	NA	NA
+C16823	Distigmine	C22H32N4O4	416.2424	NA	KEGG	NA	NA
+C16824	Protein L-selenocysteine	C22H32N4O4	416.2424	NA	KEGG	NA	NA
+PJ001121	VLW 	C22H32N4O4	416.2424	NA	PeJP	NA	NA
+MJ058571	Forasartan 	C23H28N8	416.243692	NA	MeJP	NA	NA
+PJ001122	NKR 	C16H32N8O5	416.2496	NA	PeJP	NA	NA
+MJ058572	Trecetilide 	C21H37FN2O3S	416.250891	NA	MeJP	NA	NA
+MJ058573	Alfentanil 	C21H32N6O3	416.253588	NA	MeJP	NA	NA
+MJ058574	Efegatran 	C21H32N6O3	416.253588	NA	MeJP	NA	NA
+C08005	Alfentanil	C21H32N6O3	416.2536	NA	KEGG	NA	NA
+MJ058575	11-Eremophilene-3,8,9-triol, 8-Ketone, 3,9-bis(3-methyl-2-butenoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058576	11-Eremophilene-3,8,9-triol, 8-Ketone, 3,9-diangeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058577	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-butenoyl), 9-tigloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058578	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-angeloyl, 9-(3-methyl-2-butenoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058579	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-tigloyl, 9-(3-methyl-2-butenoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058580	12,18-Dihydroxy-16-kauren-19-oic acid, 18-(3-Methyl-2-butenoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058581	13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(2-Methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058582	13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(3-Methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058583	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Carboxylic acid, 19-(3-methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058584	15,16-Epoxy-6-hydroxy-7,13(16),14-labdatrien-17-oic acid; 6?-form, 6-(2-Methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058585	15,16-Epoxy-6-hydroxy-7,13(16),14-labdatrien-17-oic acid; 6?-form, 6-(3-Methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058586	15-Hydroxy-16-kauren-19-oic acid, 16?,17-Epoxide, 15-angeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058587	15-Hydroxy-16-kauren-19-oic acid, 2,3-Epoxy-2-methylbutanoyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058588	15-Hydroxy-16-kauren-19-oic acid, 16?,17-Epoxide, 15-tigloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058589	25-Hydroxy-15,17-cheilanthadien-19,25-olid-24-oic acid 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058590	3,18-Dihydroxy-8(17),13-labdadien-15,16-olide, 3-Angeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058591	3,8-Dihydroxy-4-daucen-9-one, Diangeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058592	3,9-Dihydroxy-16-kauren-19-oic acid, 3-Angeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058593	3-Heptyl-7-hydroxy-7-methyl-7H-2-benzopyran-6,8-dione; Octanoyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058594	3-Hydroxypregn-5-en-20-one, 3-Carboxypropanoyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058595	4,6-Eudesmanediol, 6-O-(4-Hydroxy-3-methoxycinnamoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058596	5-Hydroxy-2-oxo-1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-3-cyclohexene-1-acetic acid; Ac 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058597	6-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide, 6-angeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058598	6-Hydroxy-3,13-clerodadien-15,16-olide, 3?,4?-Epoxide, 6-tigloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058599	7,11-Epoxy-1,3,5-farnesatriene-9,10-diol, Diangeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058600	7,23-Dihydroxy-21,24,25,26,27-pentanorapotirucall-1-ene-3,15,22-trione; 7?-form 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058601	8,10-Dihydroxy-3-longipinen-5-one, 10-O-(3-Methyl-2-butenoyl), 8-O-(3-methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058602	8,10-Dihydroxy-3-longipinen-5-one, 10-Tigloyl, 8-O-(3-methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058603	8,10-Dihydroxy-5-longipinanone, Diangeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058604	8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 7-(3-Methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058605	8,12-Dihydroxy-5-longipinanone, 8-Angeloyl, 12-tigloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058606	8,12-Dihydroxy-5-longipinanone, Diangeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058607	9,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 9-(2-methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058608	9,10-Dihydroxy-5-longipinanone, Diangeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058609	9,15-Dihydroxy-16-kauren-19-oic acid, 15-(3-Methyl-2-butenoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058610	9,15-Dihydroxy-16-kauren-19-oic acid, 15-Angeloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058611	9,15-Dihydroxy-16-kauren-19-oic acid, 15-Tigloyl 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058612	Colupdox a; 1'-Deoxy 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058613	Colupox a 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058614	Furanoeremophilane-3,6-diol, 3-Angeloyl, 6-(3-methylbutanoyl) 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058615	Luffariellin A 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058616	Luffariellin B 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058617	Luffarin A 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058618	Luffarin B 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058619	Macrolactin M 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058620	Manoalide 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058621	Neomangicol C 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058622	Neovibsanin H 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058623	Pregna-5,20-diene-3,7,11-triol, 3,7-Di-Ac 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058624	Pregna-5,20-diene-3,7,19-triol, 3,19-Di-Ac 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058625	Remiprostol 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058626	Salvileucolide; 23?6-Lactone 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058627	Salvileucolidone 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058628	Secomanoalide 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058629	Strobilinin, 11,12-Dihydro, 11-hydroxy 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058630	Trunculin C; Me ester 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058631	Variabilin, 6,7-Dihydro, 7-hydroxy 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058632	Vibsanin B 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058633	Vibsanin C 	C25H36O5	416.256274	NA	MeJP	NA	NA
+MJ058634	Vibsanin E 	C25H36O5	416.256274	NA	MeJP	NA	NA
+C15289	16alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate	C25H36O5	416.2563	NA	KEGG	NA	NA
+C15290	2alpha,17beta-Dihydroxyandrost-4-en-3-one dipropionate	C25H36O5	416.2563	NA	KEGG	NA	NA
+PJ001123	ATLL 	C19H36N4O6	416.2635	NA	PeJP	NA	NA
+MJ058635	Lucidene 	C29H36O2	416.27153	NA	MeJP	NA	NA
+C17989	Istamycin A3	C18H36N6O5	416.2747	NA	KEGG	NA	NA
+C17993	Istamycin B3	C18H36N6O5	416.2747	NA	KEGG	NA	NA
+PJ001124	AAKK 	C18H36N6O5	416.2747	NA	PeJP	NA	NA
+MJ058636	Istamycin A3 	C18H36N6O5	416.274718	NA	MeJP	NA	NA
+MJ058637	Sporaricin A; N*-Formimidoyl 	C18H36N6O5	416.274718	NA	MeJP	NA	NA
+MJ058638	2-Hydroxy-1,2,3-nonadecanetricarboxylic acid 	C22H40O7	416.277403	NA	MeJP	NA	NA
+MJ058639	12,16-Dihydroxy-25-nor-17-scalaren-24-al, 12-Ac 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058640	12,22,24-Trihydroxy-24-methyl-16-scalaren-25-oic acid, 25?12 Lactone 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058641	12,22-Dihydroxy-20-methyl-17-scalaren-25,24-olide; 12?-form 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058642	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-pentadecyl-4H-1-benzopyran-4-one 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058643	3,29-Dihydroxy-24,25,26,27-tetranorlanost-8-eno-23,17-lactone 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058644	3,6,11-Trihydroxy-24-nor-9,11-secocholesta-7,22-dien-9-one, 11-Aldehyde 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058645	Glaciasterol A 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058646	Plakortolide D 	C26H40O4	416.292659	NA	MeJP	NA	NA
+MJ058647	Viburnol K 	C26H40O4	416.292659	NA	MeJP	NA	NA
+C14634	Methandriol dipropionate	C26H40O4	416.2927	NA	KEGG	NA	NA
+MJ058648	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-al 	C30H40O	416.307915	NA	MeJP	NA	NA
+MJ058649	8'-Apo-?-caroten-8'-al 	C30H40O	416.307915	NA	MeJP	NA	NA
+MJ058650	Apo-8'-lycopenal 	C30H40O	416.307915	NA	MeJP	NA	NA
+MJ058651	Assufulvenal 	C30H40O	416.307915	NA	MeJP	NA	NA
+MetaCyc03458	&beta;-apo-8'-carotenal []	C30H40O1	416.307916	NA	metacyc	NA	NA
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR093	Vitamin D	C27H44O3	416.329	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR093	Vitamin D	C27H44O3	416.329	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR093	Vitamin D	C27H44O3	416.329	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329	Wishlist	Inhousejuil11	NA	NA
+EUR093	Vitamin D	C27H44O3	416.329	Wishlist	Inhousejuil11	NA	NA
+C01673	Calcitriol	C27H44O3	416.329	NA	KEGG	NA	NA
+C03963	(25S)-5beta-Spirostan-3beta-ol	C27H44O3	416.329	NA	KEGG	NA	NA
+C07712	Secalciferol	C27H44O3	416.329	NA	KEGG	NA	NA
+C08127	Paricalcitol	C27H44O3	416.329	NA	KEGG	NA	NA
+C08128	Transferred to D00931	C27H44O3	416.329	NA	KEGG	NA	NA
+C08913	Smilagenin	C27H44O3	416.329	NA	KEGG	NA	NA
+C08914	Tigogenin	C27H44O3	416.329	NA	KEGG	NA	NA
+C12919	1-alpha,24(R)-Dihydroxyvitamin D3	C27H44O3	416.329	NA	KEGG	NA	NA
+C12920	Transferred to D01473	C27H44O3	416.329	NA	KEGG	NA	NA
+C12921	Transferred to D01474	C27H44O3	416.329	NA	KEGG	NA	NA
+C12922	Transferred to D01475	C27H44O3	416.329	NA	KEGG	NA	NA
+C12923	Transferred to D01476	C27H44O3	416.329	NA	KEGG	NA	NA
+C12924	Transferred to D01477	C27H44O3	416.329	NA	KEGG	NA	NA
+C12925	Transferred to D01478	C27H44O3	416.329	NA	KEGG	NA	NA
+C12926	Transferred to D01479	C27H44O3	416.329	NA	KEGG	NA	NA
+C12927	Transferred to D01480	C27H44O3	416.329	NA	KEGG	NA	NA
+C12928	Transferred to D01481	C27H44O3	416.329	NA	KEGG	NA	NA
+C12929	Transferred to D01482	C27H44O3	416.329	NA	KEGG	NA	NA
+C12930	Transferred to D01483	C27H44O3	416.329	NA	KEGG	NA	NA
+C12931	Transferred to D01484	C27H44O3	416.329	NA	KEGG	NA	NA
+C12932	Transferred to D01485	C27H44O3	416.329	NA	KEGG	NA	NA
+C15633	5,6-24(S),25-Diepoxycholesterol	C27H44O3	416.329	NA	KEGG	NA	NA
+C16493	3beta,5beta-Ketodiol	C27H44O3	416.329	NA	KEGG	NA	NA
+C16819	Neotigogenin	C27H44O3	416.329	NA	KEGG	NA	NA
+C17331	7alpha,24-Dihydroxy-4-cholesten-3-one	C27H44O3	416.329	NA	KEGG	NA	NA
+C17332	7alpha,25-Dihydroxy-4-cholesten-3-one	C27H44O3	416.329	NA	KEGG	NA	NA
+C17333	3beta-Hydroxy-5-cholestenoate	C27H44O3	416.329	NA	KEGG	NA	NA
+C17336	7alpha,26-Dihydroxy-4-cholesten-3-one	C27H44O3	416.329	NA	KEGG	NA	NA
+C17339	4-Cholesten-7alpha,12alpha-diol-3-one	C27H44O3	416.329	NA	KEGG	NA	NA
+HMDB00430	24,25-Dihydroxyvitamin D	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB00430	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01420	25,26-dihydroxyvitamin D	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB01420	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01903	Calcitriol	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB01903	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00430	24,25-Dihydroxyvitamin D	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB00430	HMDB	NA	NA
+HMDB01420	25,26-dihydroxyvitamin D	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB01420	HMDB	NA	NA
+HMDB01903	Calcitriol	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB01903	HMDB	NA	NA
+HMDB02197	7a,12a-Dihydroxy-cholestene-3-one	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB02197	HMDB	NA	NA
+HMDB06226	24R,25-Dihydroxyvitamin D3	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB06226	HMDB	NA	NA
+HMDB06720	23S,25-dihydroxyvitamin D3	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB06720	HMDB	NA	NA
+HMDB00430	24,25-Dihydroxyvitamin D	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB00430	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01420	25,26-dihydroxyvitamin D	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB01420	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01903	Calcitriol	C27H44O3	416.32904	http://www.hmdb.ca/metabolites/HMDB01903	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00430	24,25-Dihydroxyvitamin D	C27H44O3	416.32904	HMDB00430	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01420	25,26-dihydroxyvitamin D	C27H44O3	416.32904	HMDB01420	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01903	Calcitriol	C27H44O3	416.32904	HMDB01903	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02197	7a,12a-Dihydroxy-cholestene-3-one	C27H44O3	416.32904	HMDB02197	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06226	24R,25-Dihydroxyvitamin D3	C27H44O3	416.32904	HMDB06226	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06720	23S,25-dihydroxyvitamin D3	C27H44O3	416.32904	HMDB06720	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00430	24,25-Dihydroxyvitamin D	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB01420	25,26-dihydroxyvitamin D	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB01903	Calcitriol	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB02197	7a,12a-Dihydroxy-cholestene-3-one	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB06226	24R,25-Dihydroxyvitamin D3	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB06720	23S,25-dihydroxyvitamin D3	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB12453	3 beta-Hydroxy-5-cholestenoate	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB12457	7 alpha,24-Dihydroxy-4-cholesten-3-one	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+HMDB12459	7 alpha,26-Dihydroxy-4-cholesten-3-one	C27H44O3	416.329041	NA	HMDB2010	NA	NA
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	HMDB	NA	NA
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	HMDB	NA	NA
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	Inhouse_PFEM	NA	NA
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	Inhouse_PFEM	NA	NA
+MJ058652	11-Hydroxycholestane-3,6-dione 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058653	16,20-Dihydroxycholest-4-en-3-one 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058654	16,20-Dihydroxycholestan-3-one, 16-Ketone 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058655	16-Hydroxy-23,24-dimethyl-24-oxo-25-scalaranal 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058656	16-Hydroxycholestane-3,6-dione 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058657	22,25-Epoxycholest-7-ene-3,4-diol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058658	24,25-Dihydroxyvitamin D3 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058659	27-Norergosta-7,22-diene-3,5,6-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058660	3,25-Dihydroxy-9,10-secocholesta-5,7-dien-24-one 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058661	3,5-Dihydroxycholesta-7,22-dien-6-one, 22,23-Dihydro 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058662	3,6-Dihydroxycholest-9(11)-en-23-one 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058663	3,9-Dihydroxycholest-7-en-6-one 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058664	3-(3,6,9,12-Docosatetraenyl)-5-hydroxy-5-methyl-2(5H)-furanone, 3',4'-Dihydro 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058665	3-(4-Hydroxyphenyl)-2-propenoic acid, Octadecyl ester 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058666	3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid; 3?-form 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058667	5,6-Epoxycholest-24-ene-3,7-diol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058668	5,6-Epoxycholest-8-ene-3,7-diol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058669	5,8-Epidioxycholest-6-en-3-ol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058670	5-Hydroxycholestane-3,6-dione 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058671	7,26-Dihydroxycholest-4-en-3-one 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058672	9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058673	9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058674	9,10-Secocholesta-5,7,10(19)-triene-3,23,25-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058675	9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058676	Cabraleahydroxylactone 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058677	Calicoferol B 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058678	Cholest-5-ene-3,22,26-triol, 22-Ketone 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058679	Cholesta-5,22-diene-3,7,19-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058680	Cholesta-5,23-diene-3,25-diol, 25-Hydroperoxide 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058681	Cholesta-5,25-diene-3,24-diol, 24-Hydroperoxide 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058682	Cholesta-7,22-diene-3,5,6-triol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058683	Furost-20(22)-ene-3,26-diol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058684	Furost-5-ene-1,3-diol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058685	Lansilactone 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058686	Octadecyl 4-hydroxycinnamate 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058687	Paricalcitol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058688	Spirostan-3-ol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058689	7alpha,12alpha-Dihydroxycholest-4-en-3-one 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MJ058690	Calcitriol 	C27H44O3	416.329045	NA	MeJP	NA	NA
+MetaCyc03459	(25S)-5-&beta;-spirostan-3-&beta;-ol [sarsasopogenin;]	C27H44O3	416.329045	NA	metacyc	NA	NA
+MetaCyc03460	calcitriol []	C27H44O3	416.329045	32222-06-3	metacyc	NA	NA
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR092	1,25-DihydroxyVitaminD	C27H44O3	416.329045	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR093	Vitamin D	C27H44O3	416.329045	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR396	Calcitriol F1	NA	416.329575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR396	Calcitriol F1	NA	416.329575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR396	Calcitriol F1	NA	416.329575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR396	Calcitriol F1	NA	416.329575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR396	Calcitriol F1	F1	416.329575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ058691	Holacine 	C26H44N2O2	416.340278	NA	MeJP	NA	NA
+C02483	gamma-Tocopherol	C28H48O2	416.3654	NA	KEGG	NA	NA
+C14152	beta-Tocopherol	C28H48O2	416.3654	NA	KEGG	NA	NA
+C15789	6-Oxocampestanol	C28H48O2	416.3654	NA	KEGG	NA	NA
+C15795	22alpha-Hydroxy-campesterol	C28H48O2	416.3654	NA	KEGG	NA	NA
+C15797	22alpha-Hydroxy-5alpha-campestan-3-one	C28H48O2	416.3654	NA	KEGG	NA	NA
+C15883	2,3-Dimethyl-5-phytylquinol	C28H48O2	416.3654	NA	KEGG	NA	NA
+HMDB01492	Gama-Tocopherol	C28H48O2	416.365417	NA	HMDB2010	NA	NA
+HMDB06335	Beta-tocopherol	C28H48O2	416.365417	NA	HMDB2010	NA	NA
+HMDB12112	(22Alpha)-hydroxy-5alpha-campestan-3-one	C28H48O2	416.365417	NA	HMDB2010	NA	NA
+HMDB01492	gama-Tocopherol	C28H48O2	416.36542	http://www.hmdb.ca/metabolites/HMDB01492	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06335	beta-tocopherol	C28H48O2	416.36542	http://www.hmdb.ca/metabolites/HMDB06335	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01492	gama-Tocopherol	C28H48O2	416.36542	http://www.hmdb.ca/metabolites/HMDB01492	HMDB	NA	NA
+HMDB06335	beta-tocopherol	C28H48O2	416.36542	http://www.hmdb.ca/metabolites/HMDB06335	HMDB	NA	NA
+HMDB01492	gama-Tocopherol	C28H48O2	416.36542	http://www.hmdb.ca/metabolites/HMDB01492	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06335	beta-tocopherol	C28H48O2	416.36542	http://www.hmdb.ca/metabolites/HMDB06335	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01492	gama-Tocopherol	C28H48O2	416.36542	HMDB01492	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06335	beta-tocopherol	C28H48O2	416.36542	HMDB06335	PFEM_hmdb_metabocards_official	NA	NA
+MJ058692	3-Hydroxy-5,10:13,14-disecoergosta-6,9(11)-dien-22-one 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058693	5,6-Dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058694	?-Tocopherol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058695	?2-Tocopherol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058696	Amphimic acid B 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058697	Cholest-5-ene-3,22-diol, 3-Me ether 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058698	Cyclostenol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058699	Ergost-4-ene-3,6-diol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058700	Ergost-5-ene-3,25-diol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058701	Ergost-5-ene-3,26-diol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058702	Ergost-5-ene-3,7-diol 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058703	Ergostane-3,6-diol, 6-Ketone 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MJ058704	Macdougallin 	C28H48O2	416.36543	NA	MeJP	NA	NA
+MetaCyc03461	2,3-dimethyl-6-phytyl-1,4-benzoquinone []	C28H48O2	416.365431	NA	metacyc	NA	NA
+MetaCyc03462	&gamma;-tocopherol []	C28H48O2	416.365431	NA	metacyc	NA	NA
+MetaCyc03463	&beta;-tocopherol []	C28H48O2	416.365431	NA	metacyc	NA	NA
+MetaCyc03464	6-oxocampestanol [oxocampestanol;]	C28H48O2	416.365431	NA	metacyc	NA	NA
+MetaCyc03465	(22&alpha;)-hydroxy-5&alpha;-campestan-3-one [(22S)-22-hydroxy-5&alpha;-campestan-3-one;(22S,24R)-22-hydroxy-5&alpha;-ergostan-3-one;]	C28H48O2	416.365431	NA	metacyc	NA	NA
+MetaCyc03466	(22&alpha;)-hydroxy-campesterol [(22S)-22-hydroxy-campesterol;]	C28H48O2	416.365431	NA	metacyc	NA	NA
+MJ058705	Cyclovirobuxine I; N3,N20,N20-Tri-Me 	C27H48N2O	416.376664	NA	MeJP	NA	NA
+MJ058706	Cyclovirobuxine I; N3,N20-Di-Me, Me ether 	C27H48N2O	416.376664	NA	MeJP	NA	NA
+C10801	Cyclovirobuxine C	C27H48N2O	416.3767	NA	KEGG	NA	NA
+MJ058707	23-Methylergostan-3-ol 	C29H52O	416.401816	NA	MeJP	NA	NA
+MJ058708	24-Methylergostan-3-ol 	C29H52O	416.401816	NA	MeJP	NA	NA
+MJ058709	3-Hydroxymethyl-A-norstigmastane 	C29H52O	416.401816	NA	MeJP	NA	NA
+MJ058710	Stigmastan-3-ol 	C29H52O	416.401816	NA	MeJP	NA	NA
+HMDB00494	Stigmastanol	C29H52O	416.40182	http://www.hmdb.ca/metabolites/HMDB00494	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00494	Stigmastanol	C29H52O	416.40182	http://www.hmdb.ca/metabolites/HMDB00494	HMDB	NA	NA
+HMDB00494	Stigmastanol	C29H52O	416.40182	http://www.hmdb.ca/metabolites/HMDB00494	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00494	Stigmastanol	C29H52O	416.40182	HMDB00494	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00494	Stigmastanol	C29H52O	416.401825	NA	HMDB2010	NA	NA
+3729	NA	YPFGFFG	416.6805	MH2+	Inhouse_peptide	NA	peptide
+3203	chymosin inhibitor (fr,99-105 of bovine k-casein)	PHPHLSF	416.702	MH2+	Inhouse_peptide	NA	peptide
+2587	tenecin-1 (33-42)	YCNGKRVCVC~	416.73695	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc03467	D-myo-inositol (3,5,6)-trisphosphate [1D-myo-inositol (3,5,6)-trisphosphate;Ins(3,5,6)P3;myo-inositol (3,5,6)-trisphosphate;I(3,5,6)P3;]	C6H12O15P3	416.938904	NA	metacyc	NA	NA
+MetaCyc03468	D-myo-inositol (1,4,5)-trisphosphate [inositol (1,4,5)-trisphosphate;1D-myo-inositol (1,4,5)-trisphosphate;Ins(1,4,5)P3;I(1,4,5)P3;]	C6H12O15P3	416.938904	88269-39-0	metacyc	NA	NA
+MetaCyc03469	D-myo-inositol (1,3,4)-trisphosphate [Ins(1,3,4)P3;1-D-myo-inositol (1,3,4)-trisphosphate;inositol 1,3,4-trisphosphate;]	C6H12O15P3	416.938904	NA	metacyc	NA	NA
+MetaCyc03470	D-myo-inositol (2,3,4) trisphosphate [1D-myo-inositol (2,3,4) trisphosphate;myo-inositol (2,3,4) trisphosphate;Ins(2,3,4)P3;I(2,3,4)P3;]	C6H12O15P3	416.938904	NA	metacyc	NA	NA
+MetaCyc03471	D-myo-inositol (1,2,3) trisphosphate [1D-myo-inositol (1,2,3) trisphosphate;Ins(1,2,3)P3;I(1,2,3)P3;]	C6H12O15P3	416.938904	NA	metacyc	NA	NA
+MetaCyc03472	D-myo-inositol (1,2,6) trisphosphate [1D-myo-inositol (1,2,6) trisphosphate;Ins(1,2,6)P3;I(1,2,6)P3;]	C6H12O15P3	416.938904	NA	metacyc	NA	NA
+MetaCyc03473	D-myo-inositol (3,4,6)-trisphosphate [1D-myo-inositol (3,4,6)-trisphosphate;Ins(3,4,6)P3;I(3,4,6)P3;]	C6H12O15P3	416.938904	NA	metacyc	NA	NA
+MJ058711	Molokaiamine; N2'-Me, N3''-(cyanoformyl) 	C14H17Br2N3O2	416.968752	NA	MeJP	NA	NA
+C11038	2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate	C10H17N3O11P2	417.0338	NA	KEGG	NA	NA
+MetaCyc03474	2'-deoxy-5-hydroxymethylcytidine-5'-diphosphate []	C10H17N3O11P2	417.033831	NA	metacyc	NA	NA
+MJ058712	Iproplatin 	C6H20Cl2N2O2Pt	417.054957	NA	MeJP	NA	NA
+MJ058713	Umycin B 	C18H15N3O7S	417.06307	NA	MeJP	NA	NA
+MJ058714	Bretazenil 	C19H20BrN3O3	417.068804	NA	MeJP	NA	NA
+MJ058715	Ethyl carfluzepate 	C20H17ClFN3O4	417.089161	NA	MeJP	NA	NA
+FL7AAAGS0003	Pelargonidin 3-rhamnoside	C21H21O9	417.11855	56190-03-5	knapsack	NA	NA
+FL7DAAGS0001	Gesnerin	C21H21O9	417.11855	19045-96-6	knapsack	NA	NA
+FL7DAAGS0002	Apigeninidin 7-glucoside	C21H21O9	417.11855	53948-06-4	knapsack	NA	NA
+MJ058716	Serine, N-(3-C-Glucosyl-5,6-dihydroxybenzoyl), Me ester 	C17H23NO11	417.12711	NA	MeJP	NA	NA
+MJ058717	Temafloxacin 	C21H18F3N3O3	417.130026	NA	MeJP	NA	NA
+MJ058718	Azaspirium(1+); Chloride 	C22H24ClNO5	417.1343	NA	MeJP	NA	NA
+MJ058719	5-[2-[(2-Hydroxy-3-phenoxypropyl)amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 	C21H23NO8	417.142366	NA	MeJP	NA	NA
+MJ058720	Pseurotins; Pseurotin A, O-De-Me 	C21H23NO8	417.142366	NA	MeJP	NA	NA
+MJ058721	Dichlorolissoclimide 	C20H29Cl2NO4	417.147363	NA	MeJP	NA	NA
+PJ001125	MMH 	C16H27N5O4S2	417.1505	NA	PeJP	NA	NA
+MJ058722	Sulfamothepin 	C21H27N3O2S2	417.154468	NA	MeJP	NA	NA
+MJ058723	Onetine; 20-Deoxy, 20-chloro 	C19H28ClNO7	417.155429	NA	MeJP	NA	NA
+MJ058724	Natalinine 	C25H23NO5	417.157622	NA	MeJP	NA	NA
+PJ001126	GNNN 	C14H23N7O8	417.1608	NA	PeJP	NA	NA
+PJ001127	GGGGGGG 	C14H23N7O8	417.1609	NA	PeJP	NA	NA
+MJ058725	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside, 4-O-(2,6-dideoxy-?-D-xylo-hexopyranoside) 	C18H27NO10	417.163496	NA	MeJP	NA	NA
+PJ001128	DHF 	C19H23N5O6	417.1649	NA	PeJP	NA	NA
+PJ001129	GPNM 	C16H27N5O6S	417.1682	NA	PeJP	NA	NA
+MJ058726	Antibiotic NG 391 	C22H27NO7	417.178752	NA	MeJP	NA	NA
+MJ058727	Narcotinediol 	C22H27NO7	417.178752	NA	MeJP	NA	NA
+MJ058728	Sinococuline; O6,O7-Di-Ac 	C22H27NO7	417.178752	NA	MeJP	NA	NA
+MJ058729	Tirandamycin A 	C22H27NO7	417.178752	NA	MeJP	NA	NA
+MJ058730	Roquefortine; N6-Formyl 	C23H23N5O3	417.180089	NA	MeJP	NA	NA
+PJ001130	AAQE 	C16H27N5O8	417.186	NA	PeJP	NA	NA
+MJ058731	Casimiroedine 	C21H27N3O6	417.189985	NA	MeJP	NA	NA
+MJ058732	N1,N8-Bis(2,3-dihydroxybenzoyl)spermidine 	C21H27N3O6	417.189985	NA	MeJP	NA	NA
+MJ058733	Naphthyridinomycin A 	C21H27N3O6	417.189985	NA	MeJP	NA	NA
+MJ058734	Spermidine; N,N''-Bis(3,4-dihydroxybenzoyl) 	C21H27N3O6	417.189985	NA	MeJP	NA	NA
+C10577	Casimiroedine	C21H27N3O6	417.19	NA	KEGG	NA	NA
+MJ058735	8-(4-Hydroxybenzyl)-2,3-dimethoxy-10-berbinol 	C26H27NO4	417.194008	NA	MeJP	NA	NA
+MJ058736	Dioncophyllacine A 	C26H27NO4	417.194008	NA	MeJP	NA	NA
+PJ001131	NER 	C15H27N7O7	417.1972	NA	PeJP	NA	NA
+MJ058737	3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-1,4-benzothiazepine, S,S-Dioxide 	C23H31NO4S	417.197379	NA	MeJP	NA	NA
+8073	synthetic peptide	RWG	417.201	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001132	VNW 	C20H27N5O5	417.2012	NA	PeJP	NA	NA
+PJ001133	APCK 	C17H31N5O5S	417.2046	NA	PeJP	NA	NA
+PJ001134	GRW 	C19H27N7O4	417.2125	NA	PeJP	NA	NA
+MJ058738	Myxopyronines; Myxopyronine A 	C23H31NO6	417.215137	NA	MeJP	NA	NA
+MJ058739	Protostemonine 	C23H31NO6	417.215137	NA	MeJP	NA	NA
+MJ058740	Stemofoline; 4'-Methoxy 	C23H31NO6	417.215137	NA	MeJP	NA	NA
+MJ058741	Ethamidindole 	C24H27N5O2	417.216475	NA	MeJP	NA	NA
+MJ058742	Roquefortine; N16-Et 	C24H27N5O2	417.216475	NA	MeJP	NA	NA
+PJ001135	AAKE 	C17H31N5O7	417.2224	NA	PeJP	NA	NA
+MJ058743	Cilazaprilat; 1'-Et ester 	C22H31N3O5	417.226371	NA	MeJP	NA	NA
+MJ058744	Cinepazide 	C22H31N3O5	417.226371	NA	MeJP	NA	NA
+MJ058745	Asocainol 	C27H31NO3	417.230393	NA	MeJP	NA	NA
+MJ058746	Hetisan-11,18-diol; 11?-form, 18-Benzoyl 	C27H31NO3	417.230393	NA	MeJP	NA	NA
+MJ058747	Paspalinine; Deoxy 	C27H31NO3	417.230393	NA	MeJP	NA	NA
+MJ058748	Thymotrinan 	C16H31N7O6	417.233581	NA	MeJP	NA	NA
+PJ001136	DKR 	C16H31N7O6	417.2336	NA	PeJP	NA	NA
+MJ058749	Mycalamide C 	C20H35NO8	417.236267	NA	MeJP	NA	NA
+MJ058750	N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide 	C26H31N3O2	417.241627	NA	MeJP	NA	NA
+PJ001137	SRR 	C15H31N9O5	417.2448	NA	PeJP	NA	NA
+MJ058751	Batrachotoxinin A 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058752	Daphnigracine; 13-Oxo 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058753	Decoquinate 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058754	Heterophylline; O1-Me, O8-Ac 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058755	Lankacyclinol 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058756	Lucidusculine; N-oxide 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058757	Napelline; O12-Ac, N-oxide 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058758	Spiramine P; 16-Epimer, 6-Ac 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058759	Spiramine P; 6-Ac 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058760	Spiramine T 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058761	Vilmoritine 	C24H35NO5	417.251523	NA	MeJP	NA	NA
+MJ058762	[4-[(Aminoiminomethyl)amino]-1-[[[1-[[(2-phenylethyl)amino]carbonyl]cyclopentyl]carbonyl]amino]butyl]boronic acid 	C20H32BN5O4	417.254735	NA	MeJP	NA	NA
+C17987	Istamycin A1	C18H35N5O6	417.2587	NA	KEGG	NA	NA
+C17992	Istamycin B1	C18H35N5O6	417.2587	NA	KEGG	NA	NA
+MJ058763	Antibiotic KA 6606IV 	C18H35N5O6	417.258733	NA	MeJP	NA	NA
+MJ058764	Istamycin A; 1-Epimer, N2''-formyl 	C18H35N5O6	417.258733	NA	MeJP	NA	NA
+MJ058765	Istamycin A; N2''-Formyl 	C18H35N5O6	417.258733	NA	MeJP	NA	NA
+MJ058766	Sannamycin C; N2'-(N-Formylglycyl) 	C18H35N5O6	417.258733	NA	MeJP	NA	NA
+PJ001138	GTLK 	C18H35N5O6	417.2588	NA	PeJP	NA	NA
+MJ058767	2,2-Dibutyl-1,2,3,4-tetrahydro-5-(2-quinolinylmethoxy)-1-naphthalenol 	C28H35NO2	417.266779	NA	MeJP	NA	NA
+MJ058768	Aflavazole 	C28H35NO2	417.266779	NA	MeJP	NA	NA
+MJ058769	Integramine 	C28H35NO2	417.266779	NA	MeJP	NA	NA
+MJ058770	Sphingofungin E 	C21H39NO7	417.272652	NA	MeJP	NA	NA
+MJ058771	Idaverine 	C24H39N3O3	417.299142	NA	MeJP	NA	NA
+MJ058772	Olvanil 	C26H43NO3	417.324294	NA	MeJP	NA	NA
+C12272	N-Oleoyl dopamine	C26H43NO3	417.3243	NA	KEGG	NA	NA
+C12274	Transferred to D02394	C26H43NO3	417.3243	NA	KEGG	NA	NA
+C12275	Transferred to D01081	C26H43NO3	417.3243	NA	KEGG	NA	NA
+C12276	Transferred to D01082	C26H43NO3	417.3243	NA	KEGG	NA	NA
+MJ058773	Methyl 3-heneicosenyl-1H-pyrrole-2-carboxylate 	C27H47NO2	417.360679	NA	MeJP	NA	NA
+MJ058774	Veralkamine; 5?,6,12,13-Tetrahydro 	C27H47NO2	417.360679	NA	MeJP	NA	NA
+MJ058775	3-Alkyl-1H-pyrrole-2-carboxaldehyde; 3-Tricosyl-1H-pyrrole-2-carboxaldehyde 	C28H51NO	417.397065	NA	MeJP	NA	NA
+MJ058776	1,1,2-Tribromo-6-hydroxy-1-octen-3-one, Ac 	C10H13Br3O3	417.841482	NA	MeJP	NA	NA
+MJ058777	6,6'-Dibromoindigotin 	C16H8Br2N2O2	417.895252	NA	MeJP	NA	NA
+C17084	6,6'-Dibromoindigotin	C16H8Br2N2O2	417.8953	NA	KEGG	NA	NA
+MJ058778	3-Bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)-1,2-benzenediol 	C14H12Br2O5	417.905148	NA	MeJP	NA	NA
+MJ058779	1,1,3-Tribromo-3-dodecen-2-ol 	C12H21Br3O	417.914253	NA	MeJP	NA	NA
+MJ058780	Agelastatin A; 2-Bromo 	C12H12Br2N4O3	417.927615	NA	MeJP	NA	NA
+MJ058781	1,3,8,10,11-Pentahydroxy-5,12-naphthacenedione; 10-O-Sulfate 	C18H10O10S	417.999467	NA	MeJP	NA	NA
+C08100	Cephalothin sodium	C16H15N2O6S2	418.0269	NA	KEGG	NA	NA
+MJ058782	Phthalylsulfamethizole 	C17H14N4O5S2	418.04056	NA	MeJP	NA	NA
+MJ058783	Lactothamnolic acid 	C19H14O11	418.053611	NA	MeJP	NA	NA
+MJ058784	Shoyuflavone A; 5,8-Dihydroxy 	C19H14O11	418.053611	NA	MeJP	NA	NA
+MJ058785	4-Aminodemethylaminoanhydrodemethylchlorotetracycline 	C19H15ClN2O7	418.056778	NA	MeJP	NA	NA
+C10992	Tefluthrin	C17H14ClF7O2	418.0571	NA	KEGG	NA	NA
+C08563	Muscapurpurin	C18H14N2O10	418.0648	NA	KEGG	NA	NA
+MJ058786	Muscapurpurin 	C18H14N2O10	418.064844	NA	MeJP	NA	NA
+MJ058787	Basidifferquinone B 	C23H14O8	418.068867	NA	MeJP	NA	NA
+MJ058788	Cloxestradiol 	C20H25Cl3O3	418.086927	NA	MeJP	NA	NA
+C06435	5'-Butyrylphosphoinosine	C14H19N4O9P	418.089	NA	KEGG	NA	NA
+FL3FACCS0003	6-C-beta-D-Xylopyranosylluteolin;6-C-Xylosylluteolin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-beta-D-xylopyranosyl-4H-1-benzopyran-4-one	C20H18O10	418.08999	70059-13-1	knapsack	NA	NA
+FL3FACCS0004	8-C-alpha-L-Arabinosylluteolin	C20H18O10	418.08999	115636-75-4	knapsack	NA	NA
+FL3FACCS0049	Luteolin 6-C-alpha-L-arabinopyranoside;6-C-alpha-L-Arabinosylluteolin;6-alpha-L-Arabinopyranosyl-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C20H18O10	418.08999	321690-39-5	knapsack	NA	NA
+FL3FACGS0005	Luteolin 7-xyloside	C20H18O10	418.08999	98575-26-9	knapsack	NA	NA
+FL3FACGS0012	Luteolin 3'-xyloside	C20H18O10	418.08999	93078-91-2	knapsack	NA	NA
+FL3FEAGS0002	Scutellarein 6-xyloside	C20H18O10	418.08999	65876-68-8	knapsack	NA	NA
+FL3FFAGS0001	Isoscutellarein 7-xyloside	C20H18O10	418.08999	126771-29-7	knapsack	NA	NA
+FL5FAAGS0001	Juglanin	C20H18O10	418.08999	5041-67-8	knapsack	NA	NA
+FL5FAAGS0002	Kaempferol 3-alpha-L-arabinopyranoside	C20H18O10	418.08999	99882-10-7	knapsack	NA	NA
+FL5FAAGS0003	Kaempferol 3-xyloside	C20H18O10	418.08999	60933-78-0	knapsack	NA	NA
+FL5FAAGS0010	Kaempferol 7-alpha-L-arabinoside	C20H18O10	418.08999	70427-13-3	knapsack	NA	NA
+FL5FAAGS0011	Kaempferol 7-xyloside	C20H18O10	418.08999	-	knapsack	NA	NA
+FL5FAAGS0069	Kaempferol 3-alpha-D-arabinopyranoside;3-(alpha-D-Arabinopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C20H18O10	418.08999	201533-09-7	knapsack	NA	NA
+FL5FGGNS0015	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone	C20H18O10	418.08999	82668-96-0	knapsack	NA	NA
+MJ058789	1,2,3-Trihydroxyxanthone; 2,3-Methylene ether, 1-O-?-D-glucopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058790	2,3',4,5',6-Pentahydroxydiphenyl ether; 2,3',5',6-Tetra-Ac 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058791	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Xylopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058792	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-L-Arabinoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058793	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058794	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Xyloside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058795	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',8-Tetra-Me, 6,7-methylene ether 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058796	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Xylopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058797	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Arabinopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058798	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinofuranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058799	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058800	3,4',5,7-Tetrahydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058801	3,4',5,7-Tetrahydroxyflavone; 7-O-?-L-Arabinoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058802	4',5,6,7-Tetrahydroxyflavone; 4'-O-?-L-Arabinopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058803	4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Xylopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058804	4',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058805	4,4',5,5',6,6'-Hexahydroxy-2,2'-biphenyldicarboxylic acid; 5,6:5',6'-Bis(methylene), 4,4'-di-Me ether, di-Me ester 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058806	6-C-Arabinopyranosyl-3',4',5,7-tetrahydroxyflavone; ?-L-form 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058807	8-C-Arabinopyranosyl-3',4',5,7-tetrahydroxyflavone; ?-L-form 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058808	Coruleoellagic acid; Hexa-Me ether 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058809	Fukiic acid, 2-O-(4-Hydroxy-E-cinnamoyl) 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058810	Protocetraric acid; 1''-Alcohol, 1'-Ac 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058811	Salvianolic acid D 	C20H18O10	418.089996	NA	MeJP	NA	NA
+MJ058812	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-L-Arabinoside 	C20H19O10(+)	418.089996	NA	MeJP	NA	NA
+MJ058813	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-Xyloside 	C20H19O10(+)	418.089996	NA	MeJP	NA	NA
+MJ058814	3,3',4',5,7-Pentahydroxyflavylium(1+); 7-O-Arabinoside 	C20H19O10(+)	418.089996	NA	MeJP	NA	NA
+FL1CACNN0001	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin	C24H18O7	418.10525	73536-05-7	knapsack	NA	NA
+MJ058815	2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2-O-(2Z,4E-Hexadienoyl) 	C24H18O7	418.105252	NA	MeJP	NA	NA
+MJ058816	5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-?-phenyl-4H-1-benzopyran-8-propanoic acid 	C24H18O7	418.105252	NA	MeJP	NA	NA
+MJ058817	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin; 3'',4''-Dihydroxy 	C24H18O7	418.105252	NA	MeJP	NA	NA
+MJ058818	Calomelanol E 	C24H18O7	418.105252	NA	MeJP	NA	NA
+MJ058819	Isodiospyrin, 6'-Ethoxy 	C24H18O7	418.105252	NA	MeJP	NA	NA
+MJ058820	Isodiospyrin, 6-Ethoxy 	C24H18O7	418.105252	NA	MeJP	NA	NA
+MJ058821	Isodiospyrin, 7'-Ethoxy 	C24H18O7	418.105252	NA	MeJP	NA	NA
+PJ001139	GCCH 	C14H22N6O5S2	418.1093	NA	PeJP	NA	NA
+MJ058822	Forsythide; 6-Oxo, 11-Me ester 	C17H22O12	418.111126	NA	MeJP	NA	NA
+MJ058823	Mollugoside 	C17H22O12	418.111126	NA	MeJP	NA	NA
+MJ058824	Alstonilidine 	C23H18N2O6	418.116486	NA	MeJP	NA	NA
+FL1C1ACS0001	3'-C-Glucosylisoliquiritigenin	C21H22O9	418.12638	64052-96-6	knapsack	NA	NA
+FL1C1AGS0002	Isoliquiritin	C21H22O9	418.12638	5041-81-6	knapsack	NA	NA
+FL1C1AGS0003	Neoisoliquiritin	C21H22O9	418.12638	59122-93-9	knapsack	NA	NA
+FL1C9AGS0002	4,2',3'-Trihydroxychalcone 4-O-glucoside	C21H22O9	418.12638	158500-60-8	knapsack	NA	NA
+FL1CELNS0004	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone	C21H22O9	418.12638	121697-05-0	knapsack	NA	NA
+FL2F1ACS0001	Aervanone;(2S)-8-beta-D-Galactopyranosyl-2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H22O9	418.12638	75775-37-0	knapsack	NA	NA
+FL2F1AGS0001	Liquiritin	C21H22O9	418.12638	551-15-5	knapsack	NA	NA
+FL2F1AGS0002	Neoliquiritin	C21H22O9	418.12638	5088-75-5	knapsack	NA	NA
+FL2FA9GS0002	Pinocembrin 5-O-glucoside	C21H22O9	418.12638	522-55-6	knapsack	NA	NA
+FL2FA9GS0009	Pinocembroside;Pinocembrin 7-O-beta-D-glucoside;(2S)-7-O-beta-D-glucopyranosyl-5-hydroxyflavanone	C21H22O9	418.12638	75829-43-5	knapsack	NA	NA
+FL2FAAGS0005	Naringenin 5-O-rhamnoside	C21H22O9	418.12638	83697-42-1	knapsack	NA	NA
+FL2FAAGS0007	Naringerin	C21H22O9	418.12638	67023-33-0	knapsack	NA	NA
+FL2FAAGS0022	Naringenin 4'-O-alpha-L-rhamnopyranoside;5,7,4'-Trihydroxyflavanone 4'-rhamnoside	C21H22O9	418.12638	158694-66-7	knapsack	NA	NA
+FL2FABGS0003	Isosakuranetin 7-O-xyloside	C21H22O9	418.12638	83728-89-6	knapsack	NA	NA
+FL2FGGNS0001	Agecorynin  B	C21H22O9	418.12638	77053-47-5	knapsack	NA	NA
+FL3FELNS0008	Agecorynin F;5-Hydroxy-6,7-dimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O9	418.12638	144525-23-5	knapsack	NA	NA
+FL3FELNS0009	Agecorynin G;2-(3-Hydroxy-2,4,5-trimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C21H22O9	418.12638	144525-24-6	knapsack	NA	NA
+FL3FGGNS0004	4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone	C21H22O9	418.12638	85644-03-7	knapsack	NA	NA
+FL3FGGNS0005	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone	C21H22O9	418.12638	42557-19-7	knapsack	NA	NA
+FL3FGGNS0006	8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone	C21H22O9	418.12638	135010-80-9	knapsack	NA	NA
+FL3FGGNS0007	Gardenin A;5-Hydroxy-3',4',5',6,7,8-hexamethoxyflavone;5-Hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O9	418.12638	21187-73-5	knapsack	NA	NA
+FL3FGLNS0004	Agehoustin E	C21H22O9	418.12638	111316-37-1	knapsack	NA	NA
+FL5FALNS0020	5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone;5-Hydroxy-3,7-dimethoxy-2-(2,3,4,6-tetramethoxyphenyl)- 4H-1-benzopyran-4-one	C21H22O9	418.12638	149474-89-5	knapsack	NA	NA
+FL5FEGNS0015	4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone	C21H22O9	418.12638	77390-47-7	knapsack	NA	NA
+FL5FEGNS0016	5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone;5-Hydroxy-3,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-Benzopyran-4-one	C21H22O9	418.12638	17245-31-7	knapsack	NA	NA
+FL5FELNS0018	5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone;5-Hydroxy-3,6,7-trimethoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O9	418.12638	80496-66-8	knapsack	NA	NA
+FL5FFGNS0009	8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone;8-Hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O9	418.12638	202846-95-5	knapsack	NA	NA
+FL5FFGNS0010	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone;5-Hydroxy-3,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O9	418.12638	21634-53-7	knapsack	NA	NA
+FL5FG8NS0001	Grantioidinin;2-(2,5-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O9	418.12638	135755-50-9	knapsack	NA	NA
+FL5FGCNS0017	5-Hydroxy-3,6,7,8,3'4'-hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O9	418.12638	1176-88-1	knapsack	NA	NA
+FL5FGCNS0018	Natsudaidain;3-Hydroxy-3',4',5,6,7,8-hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O9	418.12638	35154-55-3	knapsack	NA	NA
+FL5FGCNS0028	7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone;2-(3,4-Dimethoxyphenyl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O9	418.12638	185678-89-1	knapsack	NA	NA
+FL5FGLNS0004	5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone	C21H22O9	418.12638	70368-18-2	knapsack	NA	NA
+MJ058825	1,3,8,9-Tetrahydroxy-6-methylanthracene; O-Glucoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058826	1,3-Dihydroxy-6,7-dimethylxanthone; 1-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058827	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Ac 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058828	1,8-Dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone; O-Glucoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058829	10-Hydroxyaloin, 1''-Deoxy 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058830	2',3',4',5,5',6,7-Heptahydroxyflavone; 2',3',4',5',6,7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058831	2',3',4',5,5',6,7-Heptahydroxyflavone; 2',4',5,5',6,7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058832	2',3',4-Trihydroxychalcone; 4-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058833	2',3,3',4',5,6',7-Heptahydroxyflavone; 2',3,3',4',6',7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058834	2',3,4',5,6,7,8-Heptahydroxyflavone; 2',3,4',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058835	2',3,5,5',6,7,8-Heptahydroxyflavone; 2',3,5',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058836	2',4',5,5',6,7,8-Heptahydroxyflavone; 2',4',5',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058837	2',4,4'-Trihydroxy-3'-glucosylchalcone 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058838	2',4,4'-Trihydroxychalcone; 4'-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058839	2',4,4'-Trihydroxychalcone; 4-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058840	2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2,2',3,4,5-Penta-Me, 3',4'-methylene ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058841	2,4-Dihydroxy-6-(2-phenylethenyl)benzoic acid, 4-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058842	2-Hydroxy-3-methyl-4H-pyran-4-one; O-(6E-Cinnamoyl-?-D-glucopyranoside) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058843	3',4',5,5',6,7,8-Heptahydroxyflavanone, 3',5,6,7,8-Penta-Me, 4',5'-methylene ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058844	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058845	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5,5',6,7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058846	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',5,5',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058847	3',4',5,5',6,7,8-Heptahydroxyflavone; 4',5,5',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058848	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-(2-methyl-2-propenoyl), 9-Ac 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058849	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',4',5',6,7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058850	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5,5',6,7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058851	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',4',5',7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058852	3,3',4',5,5',7,8-Heptahydroxyflavone; 3,3',4',5,5',7-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058853	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058854	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',4',5,6,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058855	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',4',5,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058856	3,3',4',5,6,7,8-Heptahydroxyflavone; 3,3',4',6,7,8-Hexa-Me ether 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058857	3,7-Dihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058858	4',5,7-Trihydroxyflavanone, 4'-O-?-L-Rhamnopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058859	4',5,7-Trihydroxyflavanone, 5-O-?-L-Rhamnopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058860	4',5,7-Trihydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058861	4',5-Dihydroxy-7-methoxyflavanone, 5-O-?-D-Xylopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058862	4',7-Dihydroxyflavanone, 4'-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058863	4',7-Dihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058864	5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-D-Xylopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058865	5,7-Dihydroxyflavanone, 5-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058866	5,7-Dihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058867	Aervanone 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058868	Aloin 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058869	Arbutin; 2-O-(4-Hydroxy-E-cinnamoyl) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058870	Arbutin; 2-O-(4-Hydroxy-Z-cinnamoyl) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058871	Arbutin; 6-O-(4-Hydroxy-E-cinnamoyl) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058872	Arbutin; 6-O-(4-Hydroxy-Z-cinnamoyl) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058873	Hydrangenol, 8-O-?-D-Galactopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058874	Hydrangenol, O-?-D-Glucopyranoside (1) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058875	Hydrangenol, O-?-D-Glucopyranoside (2) 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058876	Hydrangenol, 4'-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058877	Hydrangenol, 8-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058878	Hydrangenol, 4'-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058879	Hydrangenol, 8-O-?-D-Glucopyranoside 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MJ058880	Nataloin 	C21H22O9	418.126382	NA	MeJP	NA	NA
+MetaCyc03475	isoliquiritigenin 4'-glucoside []	C21H22O9	418.126382	NA	metacyc	NA	NA
+C10305	Barbaloin	C21H22O9	418.1264	NA	KEGG	NA	NA
+C16978	Isoliquiritin	C21H22O9	418.1264	NA	KEGG	NA	NA
+C16989	Liquiritin	C21H22O9	418.1264	NA	KEGG	NA	NA
+C17778	Isobarbaloin	C21H22O9	418.1264	NA	KEGG	NA	NA
+C17809	Polygonimitin B	C21H22O9	418.1264	NA	KEGG	NA	NA
+PJ001140	PPCC 	C16H26N4O5S2	418.1345	NA	PeJP	NA	NA
+MJ058881	Antibiotic A1-RC 262 	C16H18N8O6	418.13493	NA	MeJP	NA	NA
+MJ058882	N2,N6-Bis(2,3-dihydroxybenzoyl)lysine 	C20H22N2O8	418.137615	NA	MeJP	NA	NA
+FL1DABNN0001	Calomelanol A	C25H22O6	418.14163	137319-44-9	knapsack	NA	NA
+FL3FALNP0002	Cyclomorusin;Cyclomulberrochromene;6,11-Dihydroxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one	C25H22O6	418.14163	62596-34-3	knapsack	NA	NA
+FL3FALNP0012	Isocyclomorusin;(+)-3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one	C25H22O6	418.14163	152186-78-2	knapsack	NA	NA
+FLIAAAND0002	Ulexin C	C25H22O6	418.14163	405297-96-3	knapsack	NA	NA
+FLIAAANP0013	Ulexone D	C25H22O6	418.14163	128988-23-8	knapsack	NA	NA
+FLIG1LNP0001	Millettin	C25H22O6	418.14163	78338-36-0	knapsack	NA	NA
+MJ058883	Calomelanol B; 4-Me ether 	C25H22O6	418.141638	NA	MeJP	NA	NA
+MJ058884	Cudraflavone A 	C25H22O6	418.141638	NA	MeJP	NA	NA
+MJ058885	Cyclomorusin 	C25H22O6	418.141638	NA	MeJP	NA	NA
+MJ058886	Millettin 	C25H22O6	418.141638	NA	MeJP	NA	NA
+MJ058887	Tetrapterol A 	C25H22O6	418.141638	NA	MeJP	NA	NA
+MJ058888	Ulexone B; 5'''-Hydroxy 	C25H22O6	418.141638	NA	MeJP	NA	NA
+PJ001141	GNND 	C14H22N6O9	418.1448	NA	PeJP	NA	NA
+PJ001142	GGGND 	C14H22N6O9	418.1449	NA	PeJP	NA	NA
+MJ058889	4-Hydroxybenzyl alcohol; 4-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058890	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Ph glycoside 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058891	5-Methyl-1,3-benzenediol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058892	Arbutin; 6-O-?-D-Xylopyranosyl, 4'-Me ether 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058893	Oleoside; Di-Me ester 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058894	Salicin; 6'-O-?-D-Apiofuranosyl 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058895	Salicin; 6'-O-?-D-Xylopyranosyl 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058896	Scandoside; 6-Epimer, Et ester 	C18H26O11	418.147511	NA	MeJP	NA	NA
+MJ058897	18-Bromo-8,17,19-tricosatriene-4,6-diynoic acid 	C23H31BrO2	418.150742	NA	MeJP	NA	NA
+PJ001143	GPDM 	C16H26N4O7S	418.1522	NA	PeJP	NA	NA
+MJ058898	1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058899	1,10-Epoxy-8,15-dihydroxy-2,4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058900	1,4,8-Trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2E-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058901	1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058902	10,14-Epoxy-2,5,8-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl, 2-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058903	10,14-Epoxy-2,5,8-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-Tigloyl, 2-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058904	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058905	10-Hydroxy-3,15,17-sphenolobatrien-12,13-olide-11,19-dioic acid, Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058906	15,16-Epoxy-3-oxo-13(16),14-clerodadien-20,12-olide-18,19-dioic acid, Di-Me ester 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058907	15,16-Epoxy-4,19-dihydroxy-13(16),14-clerodadiene-19,6:20,12-diolide, 19-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058908	16-(1-Methyl-1-propenyl)eremantholanolide, 15-Acetoxy 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058909	2,8,9-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-(Acetyloxymethyl)-2-butenoyl](E-) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058910	2,8,9-Trihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 9-O-[2-(Acetyloxymethyl)-2-butenoyl](E-) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058911	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 10?,14-Epoxide, 8-O-(4-hydroxy-2-methyl-2Z-butenoyl), 2-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058912	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 2-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058913	3,10-Epoxy-3,8-dihydroxy-1,4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058914	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058915	3,20:7,20-Diepoxy-7,11,14-trihydroxy-16-kaurene-6,15-dione, 11-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058916	3,3',4,4',5,7',9-Heptahydroxy-7,9'-epoxylignan, 3',4'-Methylene, 3,4,5-tri-Me ether 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058917	3,3',4,4',8,9-Hexahydroxy-7,9'-epoxylignan-7'-one; 3,3',4,4'-Tetra-Me ether 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058918	3,4-Epoxy-2,8,9-trihydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl, 2-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058919	3,6-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diol 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058920	4,14-Epoxy-8,9,15-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058921	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3,20-Diketone, 19-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058922	4,18:15,16-Diepoxy-2,19-dihydroxy-6-oxo-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058923	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058924	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 7-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058925	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 7-Ketone, 19-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058926	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058927	4,18:7,19:15,16-Triepoxy-13(16),14-clerodadien-20,12-olide, 6-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058928	4,4'-Bis(2,3-epoxy-1-hydroxypropyl)-2,2',6,6'-tetramethoxybiphenyl 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058929	4,8,9-Trihydroxy-1(10),2,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058930	5,8,9-Trihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058931	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 15-(2-Methyl-4-oxo-2-butenoyl), 8-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058932	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058933	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Tigloyl, 9-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058934	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxy, 8-O-(2-acetoxymethyl-2E-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058935	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxy, 9-O-(2-acetoxymethyl-2E-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058936	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, O-(4-Acetoxy-2-methyl-2E-butenoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058937	9-Hydroxylasiolaenolide; 9-Aldehyde, 5'-acetoxy, 3?,4?-epoxide 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058938	Abbreviatins; Abbreviatin PB 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058939	Byakangelicin, 2'-O-(3-Methylbutanoyl) 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058940	Contortin 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058941	Divaricatic acid ; 1-Hydroxy, Me ester 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058942	Furaquinocin H 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058943	Magnostellin B 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058944	Olivil; 9-O-Ac 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058945	Plicatipyrone 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058946	Sekikaic acid 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058947	Syringaresinol 	C22H26O8	418.162767	NA	MeJP	NA	NA
+MJ058948	Teucrolivin G; 6-Deacetyl 	C22H26O8	418.162767	NA	MeJP	NA	NA
+C09435	Euparotin acetate	C22H26O8	418.1628	NA	KEGG	NA	NA
+C09493	Liatrin	C22H26O8	418.1628	NA	KEGG	NA	NA
+C10889	(+)-Syringaresinol	C22H26O8	418.1628	NA	KEGG	NA	NA
+MJ058949	Syphilobin A 	C28H22N2O2	418.168127	NA	MeJP	NA	NA
+PJ001144	AAEE 	C16H26N4O9	418.17	NA	PeJP	NA	NA
+C07267	Nimodipine	C21H26N2O7	418.174	NA	KEGG	NA	NA
+C07268	Transferred to D00439	C21H26N2O7	418.174	NA	KEGG	NA	NA
+MJ058950	Nimodipine 	C21H26N2O7	418.174001	NA	MeJP	NA	NA
+FLIABANP0001	Scandinone;Nallanin	C26H26O5	418.17802	5233-97-6	knapsack	NA	NA
+FLID1CNP0005	Nitiducarpin	C26H26O5	418.17802	66446-93-3	knapsack	NA	NA
+FLIDBANP0002	Gangetinin	C26H26O5	418.17802	56280-23-0	knapsack	NA	NA
+MJ058951	7-Hydroxy-3',4'-methylenedioxyisoflavone; O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058952	Alpinumisoflavone; 4'-O-(3-Methyl-2-butenyl), 5-Me ether 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058953	Calaustralin; 7- or 8-Epimer, Me ether 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058954	Calaustralin; Me ether 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058955	Gangetinin 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058956	Inophyllum A; 11,12-Diepimer, 12-Me ether 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058957	Nitiducarpin 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058958	Osajin; 5-Me ether 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058959	Teysmanone B 	C26H26O5	418.178023	NA	MeJP	NA	NA
+MJ058960	Lofepramine 	C26H27ClN2O	418.181191	NA	MeJP	NA	NA
+PJ001145	DER 	C15H26N6O8	418.1812	NA	PeJP	NA	NA
+MJ058961	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1-O-?-D-Glucopyranoside 	C19H30O10	418.183897	NA	MeJP	NA	NA
+MJ058962	3,6,9-Trihydroxy-7-megastigmen-11,5-olide, 3-O-?-D-Glucopyranoside 	C19H30O10	418.183897	NA	MeJP	NA	NA
+PJ001146	VDW 	C20H26N4O6	418.1853	NA	PeJP	NA	NA
+PJ001147	APTM 	C17H30N4O6S	418.1886	NA	PeJP	NA	NA
+MJ058963	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(2-methylpropanoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058964	15,16-Epoxy-2-hydroxy-19-nor-6-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, Butyl ester 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058965	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4,5-trihydroxyphenyl)-1-propanol; Penta-Me ether 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058966	3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,3',4,4',5'-Penta-Me ether 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058967	3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, 3,3',4',5,5'-Penta-Me ether 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058968	3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,4',5-Penta-Me ether 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058969	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3',4,4',7'-Penta-Me ether 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058970	3,4-Dihydro-4,5,6,8-tetrahydroxy-3-methyl-1H-2-benzopyran-1-one, 5-Me ether, 6-O-(3,7-dimethyl-2,6-octadienyl), 4-Ac 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058971	6-Protoilludene-5,8,14-triol, 5-O-(2,3,4- or 2,3,5-Trihydroxy-6-methylbenzoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058972	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058973	7-Protoilludene-1,5,6,14-tetrol, 14-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058974	7-Protoilludene-1,5,6,14-tetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058975	7-Protoilludene-5,6,12,14-tetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058976	7-Protoilludene-5,6,9,14-tetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058977	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8,9-Bis(2-methylpropanoyl) 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058978	Asteltoxin 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058979	Bisabosqual A; 19,20-Dihydro, 19?,20-dihydroxy 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058980	Citreoviridinol; 12,13-Diepimer 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058981	Citreoviridinol; 12-Epimer 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058982	Citreoviridinol; 13-Epimer 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058983	Eupodienone 2 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058984	Gomisin S 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058985	Neocitreoviridinol 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058986	Polysyphorin 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058987	Sarmentosigenin E 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058988	Schizandrin; 3'-O-De-Me 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058989	Schizandrin; 5'-O-De-Me 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058990	Seco-7-hydroxylintetralin 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058991	Virolongin A, 9'-Hydroxy 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058992	Xylaral 	C23H30O7	418.199153	NA	MeJP	NA	NA
+MJ058993	Etodroxizine 	C23H31ClN2O3	418.20232	NA	MeJP	NA	NA
+MJ058994	Glibutimine 	C21H30N4O3S	418.203861	NA	MeJP	NA	NA
+MJ058995	Win 45164 	C26H27FN2O2	418.205656	NA	MeJP	NA	NA
+PJ001148	GTLE 	C17H30N4O8	418.2064	NA	PeJP	NA	NA
+8018	synthetic peptide	LWT	418.21	antibacterial	Inhouse_peptide	NA	peptide
+MJ058996	2-[4-[2-[(2-Hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide 	C22H30N2O6	418.210386	NA	MeJP	NA	NA
+MJ058997	Moxicoumone 	C22H30N2O6	418.210386	NA	MeJP	NA	NA
+MJ058998	[2-[[8-(Dimethylamino)octyl]thio]-6-(1-methylethyl)-3-pyridinyl]-2-thienylmethanone 	C23H34N2OS2	418.211255	NA	MeJP	NA	NA
+MJ058999	3,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one, 3-Benzoyl 	C27H30O4	418.214409	NA	MeJP	NA	NA
+MJ059000	Antibiotic CRP 2504-1 	C27H30O4	418.214409	NA	MeJP	NA	NA
+MJ059001	Monachosorin A; 14'-Me ether 	C27H30O4	418.214409	NA	MeJP	NA	NA
+MJ059002	Descinolone; 16,17-Acetonide 	C24H31FO5	418.215552	NA	MeJP	NA	NA
+MJ059003	Fluorometholone; 17-Ac 	C24H31FO5	418.215552	NA	MeJP	NA	NA
+C14629	Fluorometholone 17-acetate	C24H31FO5	418.2156	NA	KEGG	NA	NA
+C14653	Descinolone acetonide	C24H31FO5	418.2156	NA	KEGG	NA	NA
+PJ001149	GSQK 	C16H30N6O7	418.2176	NA	PeJP	NA	NA
+C15180	17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	C24H34O4S	418.2178	NA	KEGG	NA	NA
+PJ001150	TLW 	C21H30N4O5	418.2216	NA	PeJP	NA	NA
+PJ001151	GVLM 	C18H34N4O5S	418.225	NA	PeJP	NA	NA
+3261	beta-lactokinin (fr, of beta-lactoglobulin: 142-148)	ALPMHIR	418.2282	MH2+	Inhouse_peptide	NA	peptide
+PJ001152	PFR 	C20H30N6O4	418.2329	NA	PeJP	NA	NA
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR518	12-HPETE F7	NA	418.234025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR518	12-HPETE F7	NA	418.234025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR518	12-HPETE F7	NA	418.234025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR518	12-HPETE F7	NA	418.234025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR518	12-HPETE F7	F7	418.234025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C10746	Phyllanthin	C24H34O6	418.2355	NA	KEGG	NA	NA
+C15275	21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione	C24H34O6	418.2355	NA	KEGG	NA	NA
+C15302	11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione	C24H34O6	418.2355	NA	KEGG	NA	NA
+MJ059004	1,2,5-Vouacapanetriol, 1,2-Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059005	1,3,11-Trihydroxy-16-kauren-15-one, 3,11-Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059006	1,6-Dihydroxyfuranoeremophilan-9-one, 1-(3-Methylbutanoyl), 6-(methylpropanoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059007	15,16-Dihydroxy-3-erythroxylene-2,7-dione, Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059008	16-Kaurene-3,11,13,15-tetrol, 15-Ketone, 3,11-di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059009	17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-11,18-diol, 6?,7?-Epoxide, di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059010	18,19-Dihydroxy-3,13-clerodadien-15,16-olide, Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059011	2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 2,5-Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059012	22-Deacetylyanuthone A; 1-Hydroxy, 15-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059013	22-Deacetylyanuthone A; 1-Hydroxy, 22-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059014	3,19-Dihydroxy-15-kauren-17-oic acid; Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059015	3,3',4,4',9,9'-Hexahydroxylignan, Hexa-Me ether 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059016	3,4-Epoxy-8,10-guaianediol; 8-(3,4-Dimethoxybenzoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059017	3,5,11,14-Tetrahydroxybufa-20,22-dienolide 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059018	3,5,14,19-Tetrahydroxybufa-20,22-dienolide 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059019	4,7:14,16-Diepoxy-1(14),11,15-cembratriene-2,3-diol, 2,3-Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059020	6,19-Dihydroxy-4(18),13-clerodadien-16,15-olide, 6,19-Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059021	7,11-Dihydroxy-13-spongien-16-one, Di-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059022	7,12,16-Trihydroxy-8,12-abietadiene-11,14-dione, 7-Et ether, 16-Ac 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059023	8,9-Epoxy-4,6-daucanediol, 6-(3,4-Dimethoxybenzoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059024	Antibiotic CJ 12954 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059025	Antibiotic CJ 13015 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059026	Feropolol 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059027	Fukinolidiol; 1-(3-Methyl-2-butenoyl), 9-(2-methylpropanoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059028	Fukinolidiol; 9-(3-Methyl-2-butenoyl), 1-(2-methylpropanoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059029	Fukinolidiol; 9-Angeloyl, 1-(2-methylpropanoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059030	Mexrenoic acid 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059031	Monacolin J; O1-(2-Methyl-3-oxobutanoyl) 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059032	Oligosporol A 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059033	Phlebiachrysoic acid C 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059034	Spirolaxine; Me ether 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MJ059035	Xeniculin; 8-Deacetoxy, 13,14-deepoxy, 6,7-epoxide 	C24H34O6	418.235538	NA	MeJP	NA	NA
+MetaCyc03476	phorbol 13-butanoate []	C24H34O6	418.235539	NA	metacyc	NA	NA
+PJ001153	LMR 	C17H34N6O4S	418.2362	NA	PeJP	NA	NA
+C12062	Naphthyl dipeptide	C25H30N4O2	418.2369	NA	KEGG	NA	NA
+C12063	Tunicamycin	C29H44N4O16	418.2369	NA	KEGG	NA	NA
+C15021	4,4'-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	C30H30N2	418.2409	NA	KEGG	NA	NA
+PJ001154	SSLL 	C18H34N4O7	418.2428	NA	PeJP	NA	NA
+HMDB07005	CPA(18:1(11Z)/0:0)	C21H39O6P	418.248413	NA	HMDB2010	NA	NA
+HMDB07006	CPA(18:1(9Z)/0:0)	C21H39O6P	418.248413	NA	HMDB2010	NA	NA
+MJ059036	3,28-Dihydroxy-24,30-dinor-1(10),3,5,7,20(29)-friedelapentaen-2-one; 28-Aldehyde 	C28H34O3	418.250794	NA	MeJP	NA	NA
+PJ001155	GSKK 	C17H34N6O6	418.254	NA	PeJP	NA	NA
+MJ059037	1,4,11-Eudesmanetriol, 1-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059038	1,4,11-Eudesmanetriol, 4-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059039	1,4,6-Eudesmanetriol, 6-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059040	1,6-Farnesadiene-3,10,11-triol, 10-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059041	1,6-Farnesadiene-3,10,11-triol, 11-O-?-D-glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059042	1,6-Farnesadiene-3,10,11-triol, 3-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059043	10,11,15-Guaianetriol, 11-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059044	2,4,11-Eudesmanetriol, 11-O-?-D-Glucopyranoside 	C21H38O8	418.256668	NA	MeJP	NA	NA
+MJ059045	Erythronolide A 	C21H38O8	418.256668	NA	MeJP	NA	NA
+C15272	3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate	C25H38O5	418.2719	NA	KEGG	NA	NA
+HMDB05007	Simvastatin	C25H38O5	418.27191	http://www.hmdb.ca/metabolites/HMDB05007	HMDB	NA	NA
+HMDB05007	Simvastatin	C25H38O5	418.27191	HMDB05007	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05007	Simvastatin	C25H38O5	418.271912	NA	HMDB2010	NA	NA
+MJ059046	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(3-methyl-2-butenoyl), 9-(2-methylbutanoyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059047	12,16,25-Trihydroxy-17-scalaren-24,25-olide 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059048	12,18-Dihydroxy-16-kauren-19-oic acid, 18-(3-Methylbutanoyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059049	16,24-Epoxy-13,25-dihydroxy-17-cheilanthen-19,25-olide 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059050	16,24-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059051	2,3,16,17-Phyllocladanetetrol, 3-Ketone, 2-(3-methyl-2-butenoyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059052	2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 2-Me ether, 5-Ac 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059053	2,5-Dihydroxy-3-methyl-6-(10-pentadecenyl)-1,4-benzoquinone, 5-Me ether, 2-Ac 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059054	2,6,10,14-Phytatetraene-1,16-diol, 1-O-(2-Methylfumaroyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059055	3,18-Dihydroxy-8(17),13-labdadien-15-oic acid, 3-Angeloyl 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059056	3,9-Dihydroxy-15-kauren-19-oic acid, 3-(3-Methylbutanoyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059057	3-Clerodene-15,18,19-triol, 15-Carboxylic acid, 18-aldehyde, 19-(3-methyl-2-butenoyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059058	7-Oxo-3-cleroden-15-oic acid; 6?-Angeloyloxy 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059059	8-Daucene-4,6,10-triol, 6,10-Diangeloyl 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059060	9,15-Dihydroxy-16-kauren-19-oic acid, 15-(3-Methylbutanoyl) 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059061	Juruenolide F 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059062	Luffariolide F 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059063	Luffariolide G 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059064	Salvimirzacolide 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059065	Simvastatin 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059066	Yosgadensolide A 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059067	Yosgadensolide B 	C25H38O5	418.271924	NA	MeJP	NA	NA
+MJ059068	Tomoglumide 	C24H38N2O4	418.283157	NA	MeJP	NA	NA
+MJ059069	9'-Hydroxy-9'-apo-?-caroten-3-one 	C29H38O2	418.28718	NA	MeJP	NA	NA
+MJ059070	9'-Hydroxy-9'-apo-?-caroten-3-one 	C29H38O2	418.28718	NA	MeJP	NA	NA
+HMDB10331	Palmitoyl glucuronide	C22H42O7	418.29306	NA	HMDB2010	NA	NA
+C15221	Diisononyl phthalate	C26H42O4	418.3083	NA	KEGG	NA	NA
+MJ059071	12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059072	12,16-Dihydroxy-24-methyl-25,24-scalaranolide 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059073	19-(3,4-Methylenedioxyphenyl)nonadecanoic acid 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059074	26,27-Dinorergosta-8(14),22-diene-3,6,15,25-tetrol 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059075	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Hexadecyl ester 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059076	Aculeatin A 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059077	Maesaquinone 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059078	Maxacalcitol 	C26H42O4	418.308309	NA	MeJP	NA	NA
+MJ059079	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-ol 	C30H42O	418.323565	NA	MeJP	NA	NA
+MJ059080	8'-Apo-?-caroten-8'-al; 8'-Alcohol 	C30H42O	418.323565	NA	MeJP	NA	NA
+MJ059081	?-Citraurol; 8'-Deoxy 	C30H42O	418.323565	NA	MeJP	NA	NA
+MJ059082	2-Hexaprenylphenol 	C30H42O	418.323566	NA	MeJP	NA	NA
+MetaCyc03477	8'-apo-&beta;-carotenol [2,6,11,15-tetramethyl-17-[(2,6,6-trimethyl-1-cyclohexenyl)] heptadeca-2,4,6,8,10,12,14,16-octaen-1-ol;]	C30H42O1	418.323566	NA	metacyc	NA	NA
+C06733	8'-apo-beta-Carotenol	C30H42O	418.3236	NA	KEGG	NA	NA
+MJ059083	Axinellamine B 	C29H42N2	418.334799	NA	MeJP	NA	NA
+MJ059084	17alpha,20alpha-Dihydroxycholesterol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059085	20alpha,22beta-Dihydroxycholesterol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059086	3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059087	7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059088	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059089	1-Hydroxy-2,5,16-pentacosatrien-4-one, Ac 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059090	1-Hydroxy-2,5,18-pentacosatrien-4-one, Ac 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059091	1-Hydroxy-2,5,20-pentacosatrien-4-one, Ac 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059092	16,20-Dihydroxycholestan-3-one 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059093	2-(4-Hydroxyphenyl)ethanol; 1-O-Nonadecanoyl 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059094	3,10-Dihydroxy-9,10-secocholest-5-en-7-one 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059095	3,11-Dihydroxy-9,11-secocholest-5-en-9-one 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059096	5,6-Secocholesta-7,22-diene-3,5,6-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059097	8,9-Epoxycholestane-3,6-diol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059098	9,10-Secocholesta-5,7-diene-3,23,25-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059099	9,10-Secocholesta-5,7-diene-3,24,25-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059100	Capiquinones; Capiquinone D 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059101	Cholest-22-ene-3,5,6-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059102	Cholest-24-ene-3,6,7-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059103	Cholest-5-ene-1,3,11-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059104	Cholest-5-ene-3,15,26-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059105	Cholest-5-ene-3,16,20-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059106	Cholest-5-ene-3,16,22-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059107	Cholest-5-ene-3,22,26-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059108	Cholest-5-ene-3,4,22-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059109	Cholest-5-ene-3,7,19-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059110	Cholest-6-ene-3,15,26-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059111	Cholest-9(11)-ene-3,6,23-triol 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MJ059112	Cholesta-7,22-diene-3,5,6-triol, 22,23-Dihydro 	C27H46O3	418.344695	NA	MeJP	NA	NA
+MetaCyc03478	7-&alpha;,27-dihydroxycholesterol []	C27H46O3	418.344695	NA	metacyc	NA	NA
+MetaCyc03479	20&alpha;-20&beta;-dihydroxy-cholesterol [20-a-20-b-dihydroxycholesterol;]	C27H46O3	418.344695	NA	metacyc	NA	NA
+HMDB06280	7-a,25-Dihydroxycholesterol	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06281	7-a,27-dihydroxycholesterol	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06763	20a,22b-Dihydroxycholesterol	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06764	17a,20a-Dihydroxycholesterol	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06886	7a,12a-Dihydroxy-5a-cholestan-3-one	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06887	7a,12a-Dihydroxy-5b-cholestan-3-one	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06894	3a,7a-Dihydroxy-5b-cholestan-26-al	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB11644	(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol	C27H46O3	418.344696	NA	HMDB2010	NA	NA
+HMDB06280	7-alpha,25-Dihydroxycholesterol	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06280	HMDB	NA	NA
+HMDB06281	7-alpha,27-Dihydroxycholesterol	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06281	HMDB	NA	NA
+HMDB06763	20alpha,22beta-Dihydroxycholesterol	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06763	HMDB	NA	NA
+HMDB06764	17alpha,20alpha-Dihydroxycholesterol	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06764	HMDB	NA	NA
+HMDB06886	7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06886	HMDB	NA	NA
+HMDB06887	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06887	HMDB	NA	NA
+HMDB06894	3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al	C27H46O3	418.3447	http://www.hmdb.ca/metabolites/HMDB06894	HMDB	NA	NA
+C05445	3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al	C27H46O3	418.3447	NA	KEGG	NA	NA
+C05453	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	C27H46O3	418.3447	NA	KEGG	NA	NA
+C05458	7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one	C27H46O3	418.3447	NA	KEGG	NA	NA
+C05499	17alpha,20alpha-Dihydroxycholesterol	C27H46O3	418.3447	NA	KEGG	NA	NA
+C05501	20alpha,22beta-Dihydroxycholesterol	C27H46O3	418.3447	NA	KEGG	NA	NA
+C06341	7alpha,27-Dihydroxycholesterol	C27H46O3	418.3447	NA	KEGG	NA	NA
+C15518	(24S)-Cholest-5-ene-3beta,7alpha,24-triol	C27H46O3	418.3447	NA	KEGG	NA	NA
+C15520	Cholest-5-ene-3beta,7alpha,25-triol	C27H46O3	418.3447	NA	KEGG	NA	NA
+C15521	Alkanesulfonate	CH3O3SR	418.3447	NA	KEGG	NA	NA
+HMDB06280	7-alpha,25-Dihydroxycholesterol	C27H46O3	418.3447	HMDB06280	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06281	7-alpha,27-Dihydroxycholesterol	C27H46O3	418.3447	HMDB06281	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06763	20alpha,22beta-Dihydroxycholesterol	C27H46O3	418.3447	HMDB06763	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06764	17alpha,20alpha-Dihydroxycholesterol	C27H46O3	418.3447	HMDB06764	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06886	7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one	C27H46O3	418.3447	HMDB06886	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06887	7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	C27H46O3	418.3447	HMDB06887	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06894	3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al	C27H46O3	418.3447	HMDB06894	PFEM_hmdb_metabocards_official	NA	NA
+MJ059113	Cyclomicrophylline I; 6,7-Dihydro, N20,N20-di-Me 	C26H46N2O2	418.355928	NA	MeJP	NA	NA
+MJ059114	5,9,19-Octacosatrienoic acid 	C28H50O2	418.38108	NA	MeJP	NA	NA
+MJ059115	Amphimic acid B; 21,22-Dihydro 	C28H50O2	418.38108	NA	MeJP	NA	NA
+MJ059116	Ergostane-3,22-diol 	C28H50O2	418.38108	NA	MeJP	NA	NA
+MJ059117	Ergostane-3,24-diol 	C28H50O2	418.38108	NA	MeJP	NA	NA
+MJ059118	Ergostane-3,6-diol 	C28H50O2	418.38108	NA	MeJP	NA	NA
+MetaCyc03480	6-deoxocathasterone [deoxocathasterone;]	C28H50O2	418.381081	NA	metacyc	NA	NA
+MetaCyc03481	(6&alpha;)-hydroxycampestanol [hydroxycampestanol;]	C28H50O2	418.381081	NA	metacyc	NA	NA
+C15788	6alpha-Hydroxycampestanol	C28H50O2	418.3811	NA	KEGG	NA	NA
+C15798	6-Deoxocathasterone	C28H50O2	418.3811	NA	KEGG	NA	NA
+C16251	3-epi-6-Deoxocathasterone	C28H50O2	418.3811	NA	KEGG	NA	NA
+MJ059119	5,7-Dibromo-8-hydroxy-2-methylquinoline; Benzoyl 	C17H11Br2NO2	418.915653	NA	MeJP	NA	NA
+MJ059120	Dispacamide A; 9-Hydroxy 	C11H11Br2N5O3	418.922864	NA	MeJP	NA	NA
+MJ059121	Molokaiamine; 1''-Hydroxy, N3''-(cyanocarbonyl) 	C13H15Br2N3O3	418.948016	NA	MeJP	NA	NA
+MJ059122	2'-[(4-Bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'(1'H)-pyrrolo[1,2-a]pyrazine]-1',2,3',5(2'H)-tetrone 	C17H11BrFN3O4	418.991696	NA	MeJP	NA	NA
+C14861	S-(2,2-Dichloro-1-hydroxy)ethyl glutathione	C12H19Cl2N3O7S	419.0321	NA	KEGG	NA	NA
+MJ059123	4-(Methylthio)-3-butenyl glucosinolate 	C12H21NO9S3	419.037843	NA	MeJP	NA	NA
+FL7ARXNS0001	Rosacyanin B;11-(3,4-Dihydroxyphenyl)-4,5,8-trihydroxy-2-oxo-2H-1,6-dioxa-10-oxoniabenzo[cd]pyrene	C22H11O9	419.0403	350484-25-2	knapsack	NA	NA
+C01865	Zopolrestat	C19H12F3N3O3S	419.0551	NA	KEGG	NA	NA
+C01866	beta-Lactam	C19H12F3N3O3S	419.0551	NA	KEGG	NA	NA
+C01867	tau-Protein	C19H12F3N3O3S	419.0551	NA	KEGG	NA	NA
+MJ059124	Zopolrestat 	C19H12F3N3O3S	419.055146	NA	MeJP	NA	NA
+MJ059125	4-[[(4-Azidophenyl)acetyl]amino]-5,7-dichloro-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid 	C18H15Cl2N5O3	419.055194	NA	MeJP	NA	NA
+MJ059126	3-(Methoxycarbonyl)propyl glucosinolate 	C12H21NO11S2	419.055601	NA	MeJP	NA	NA
+MJ059127	Ochratoxin A; 4S-Hydroxy 	C20H18ClNO7	419.077179	NA	MeJP	NA	NA
+C10950	Prosulfuron	C15H16F3N5O4S	419.0875	NA	KEGG	NA	NA
+MJ059128	Bromperidol 	C21H23BrFNO2	419.089619	NA	MeJP	NA	NA
+MJ059129	6-Thioinosine; S-(4-Nitrobenzyl) 	C17H17N5O6S	419.089953	NA	MeJP	NA	NA
+FL7AACGS0001	Cyanidin 3-arabinoside	C20H19O10	419.09782	57186-11-5	knapsack	NA	NA
+FL7AACGS0002	Cyanidin 3-xyloside	C20H19O10	419.09782	29761-24-8	knapsack	NA	NA
+MJ059130	Mepenzolate(1+), Bromide 	C21H26BrNO3	419.109606	NA	MeJP	NA	NA
+MJ059131	Methantheline(1+); Bromide 	C21H26BrNO3	419.109606	NA	MeJP	NA	NA
+MJ059132	Parapenzolate(1+); Bromide 	C21H26BrNO3	419.109606	NA	MeJP	NA	NA
+MJ059133	Cloflumide 	C21H23ClFN3OS	419.123438	NA	MeJP	NA	NA
+C10988	Fenvalerate	C25H22ClNO3	419.1288	NA	KEGG	NA	NA
+C18147	Esfenvalerate	C25H22ClNO3	419.1288	NA	KEGG	NA	NA
+PJ001156	GNDD 	C14H21N5O10	419.1289	NA	PeJP	NA	NA
+MJ059134	Jadomycin 	C24H21NO6	419.136887	NA	MeJP	NA	NA
+PJ001157	SPCN 	C15H25N5O7S	419.1475	NA	PeJP	NA	NA
+MJ059135	Isonaamidine A; O11-Me 	C22H21N5O4	419.159354	NA	MeJP	NA	NA
+PJ001158	GSQE 	C15H25N5O9	419.1652	NA	PeJP	NA	NA
+PJ001159	GGGTE 	C15H25N5O9	419.1653	NA	PeJP	NA	NA
+C06447	2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine amide	C20H25N3O7	419.1693	NA	KEGG	NA	NA
+MJ059136	8-(2-Oxobutyl)dihydrochelerythrine 	C25H25NO5	419.173272	NA	MeJP	NA	NA
+MJ059137	8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol 	C25H25NO5	419.173272	NA	MeJP	NA	NA
+MJ059138	Natalinine; 1''-Alcohol 	C25H25NO5	419.173272	NA	MeJP	NA	NA
+MJ059139	Valachine 	C25H25NO5	419.173272	NA	MeJP	NA	NA
+PJ001160	SQW 	C19H25N5O6	419.1805	NA	PeJP	NA	NA
+PJ001161	AAQM 	C16H29N5O6S	419.1839	NA	PeJP	NA	NA
+PJ001162	NMR 	C15H29N7O5S	419.1951	NA	PeJP	NA	NA
+PJ001163	GSKE 	C16H29N5O8	419.2016	NA	PeJP	NA	NA
+MJ059140	Pentetic acid; 1,11-Bis(methylamide) 	C16H29N5O8	419.201612	NA	MeJP	NA	NA
+MJ059141	N-[1'-(6-Cyano-1,2,3,4-tetrahydro-2-naphthalenyl)-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]methanesulfonamide 	C25H29N3OS	419.203133	NA	MeJP	NA	NA
+C11302	S-Octyl GSH	C18H33N3O6S	419.209	NA	KEGG	NA	NA
+MJ059142	Ancistrobrevine B; 1,2-Didehydro, 6-Me ether 	C26H29NO4	419.209658	NA	MeJP	NA	NA
+MJ059143	Ancistrobrevine B; Atropisomer, 1,2-didehydro, 6-Me ether 	C26H29NO4	419.209658	NA	MeJP	NA	NA
+MJ059144	Ancistrocladine; Atropisomer, 1,2-didehydro, Me ether 	C26H29NO4	419.209658	NA	MeJP	NA	NA
+MJ059145	Ancistrocladisine 	C26H29NO4	419.209658	NA	MeJP	NA	NA
+MJ059146	Terflavoxate 	C26H29NO4	419.209658	NA	MeJP	NA	NA
+PJ001164	GSTR 	C15H29N7O7	419.2129	NA	PeJP	NA	NA
+MJ059147	Gerambullin; N-Me 	C23H33NO4S	419.213029	NA	MeJP	NA	NA
+PJ001165	SKW 	C20H29N5O5	419.2169	NA	PeJP	NA	NA
+PJ001166	AAKM 	C17H33N5O5S	419.2203	NA	PeJP	NA	NA
+MJ059148	Adimolol 	C25H29N3O3	419.220891	NA	MeJP	NA	NA
+MJ059149	Pleurostyline; 7R-Hydroxy 	C25H29N3O3	419.220891	NA	MeJP	NA	NA
+MJ059150	Antibiotic U 62162 	C23H33NO6	419.230787	NA	MeJP	NA	NA
+MJ059151	Zalospirone 	C24H29N5O2	419.232125	NA	MeJP	NA	NA
+PJ001167	ATTK 	C17H33N5O7	419.238	NA	PeJP	NA	NA
+C14596	Ethamoxytriphetol	C27H33NO3	419.246	NA	KEGG	NA	NA
+MJ059152	Ethamoxytriphetol 	C27H33NO3	419.246043	NA	MeJP	NA	NA
+MJ059153	Hericerin 	C27H33NO3	419.246043	NA	MeJP	NA	NA
+MJ059154	Paxilline; 4b-Deoxy 	C27H33NO3	419.246043	NA	MeJP	NA	NA
+MJ059155	Stacofylline 	C20H33N7O3	419.264487	NA	MeJP	NA	NA
+MJ059156	Aconosine; O14-Ac 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059157	Aspochalasin C; 19,20-Dihydro, 19-hydroxy 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059158	Bicolorine; 6-Ketone, O1,O8-di-Me 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059159	Karakoline; O14-Ac 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059160	Norcassamide 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059161	Sinulamine II 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059162	Talatizamine; 14-Ketone 	C24H37NO5	419.267173	NA	MeJP	NA	NA
+MJ059163	24,25-Dehydro-10,11-dihydroaflavinine; 13-Oxo 	C28H37NO2	419.282429	NA	MeJP	NA	NA
+MJ059164	Aflavinine; 10,11-Dihydro, 24,25-didehydro, 13-oxo 	C28H37NO2	419.282429	NA	MeJP	NA	NA
+HMDB06463	Stearidonyl carnitine	C25H41NO4	419.303558	NA	HMDB2010	NA	NA
+HMDB06463	Stearidonyl carnitine	C25H41NO4	419.30356	http://www.hmdb.ca/metabolites/HMDB06463	HMDB	NA	NA
+HMDB06463	Stearidonyl carnitine	C25H41NO4	419.30356	HMDB06463	PFEM_hmdb_metabocards_official	NA	NA
+C12157	Myxalamid S	C25H41NO4	419.3036	NA	KEGG	NA	NA
+MJ059165	Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-heneicosyl-1H-pyrrole-2-carboxylate 	C27H49NO2	419.376329	NA	MeJP	NA	NA
+C08040	Iodine aqueous	KI3	419.6771	NA	KEGG	NA	NA
+C08041	Transferred to D00861	KI3	419.6771	NA	KEGG	NA	NA
+C18146	Oxychlordane	C10H4Cl8O	419.777	NA	KEGG	NA	NA
+MJ059166	Filiformin; 6-Iodo 	C15H18BrIO	419.958571	NA	MeJP	NA	NA
+MJ059167	Laurene; 7-Hydroxy, 10-bromo, 11-iodo 	C15H18BrIO	419.958571	NA	MeJP	NA	NA
+HMDB01143	Inositol 1,3,4-trisphosphate	C6H15O15P3	419.96237	http://www.hmdb.ca/metabolites/HMDB01143	HMDB	NA	NA
+HMDB01498	Inositol 1,4,5-trisphosphate	C6H15O15P3	419.96237	http://www.hmdb.ca/metabolites/HMDB01498	HMDB	NA	NA
+HMDB01143	Inositol 1,3,4-trisphosphate	C6H15O15P3	419.96237	HMDB01143	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01498	Inositol 1,4,5-trisphosphate	C6H15O15P3	419.96237	HMDB01498	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01143	Inositol 1,3,4-trisphosphate	C6H15O15P3	419.962372	NA	HMDB2010	NA	NA
+HMDB01498	Inositol 1,4,5-trisphosphate	C6H15O15P3	419.962372	NA	HMDB2010	NA	NA
+MJ059168	1D-myo-Inositol 1,3,4-trisphosphate 	C6H15O15P3	419.962379	NA	MeJP	NA	NA
+MJ059169	D-myo-Inositol 1,4,5-trisphosphate 	C6H15O15P3	419.962379	NA	MeJP	NA	NA
+MJ059170	myo-Inositol; 1,2,6-Triphosphate 	C6H15O15P3	419.962379	NA	MeJP	NA	NA
+MJ059171	myo-Inositol; 1,3,4-Triphosphate 	C6H15O15P3	419.962379	NA	MeJP	NA	NA
+MJ059172	myo-Inositol; 1,4,5-Triphosphate 	C6H15O15P3	419.962379	NA	MeJP	NA	NA
+C01243	1D-myo-Inositol 1,3,4-trisphosphate	C6H15O15P3	419.9624	NA	KEGG	NA	NA
+C01245	D-myo-Inositol 1,4,5-trisphosphate	C6H15O15P3	419.9624	NA	KEGG	NA	NA
+C01246	Dolichyl beta-D-glucosyl phosphate	C26H47O9P	419.9624	NA	KEGG	NA	NA
+C01247	[Acetyl-CoA carboxylase] phosphate	C4H7N2O6PR2	419.9624	NA	KEGG	NA	NA
+MJ059173	Dysamide A; 3'-Dechloro, 1',2',3,3'-tetradehydro(Z-) 	C14H17Cl5N2O2	419.973266	NA	MeJP	NA	NA
+MJ059174	Thimerfonate 	C8H10HgO3S2	419.977761	NA	MeJP	NA	NA
+MJ059175	4-Thiouridine; 5'-Diphosphate 	C9H14N2O11P2S	419.979353	NA	MeJP	NA	NA
+MJ059176	Japonenyne A; 6,7-Dihydro, 7-methoxy 	C16H22Br2O3	419.993569	NA	MeJP	NA	NA
+MJ059177	13-Chloro-N-(2-chloroethyl)-10-oxo-5,6-dithia-2,9,11-triazatridecanamide; N,N-Dinitroso 	C10H18Cl2N6O4S2	420.020799	NA	MeJP	NA	NA
+MJ059178	Topsentin A; 22-Hydroxy, 7-bromo 	C20H13BrN4O2	420.022188	NA	MeJP	NA	NA
+MJ059179	Topsentin A; 7-Hydroxy, 21-bromo 	C20H13BrN4O2	420.022188	NA	MeJP	NA	NA
+MJ059180	Tiflamizole 	C17H10F6N2O2S	420.036717	NA	MeJP	NA	NA
+MJ059181	Epicorazine A 	C18H16N2O6S2	420.044977	NA	MeJP	NA	NA
+MJ059182	Thamnolic acid 	C19H16O11	420.069261	NA	MeJP	NA	NA
+MJ059183	Netobimin 	C14H20N4O7S2	420.07734	NA	MeJP	NA	NA
+MJ059184	Muscaaurin II 	C18H16N2O10	420.080494	NA	MeJP	NA	NA
+C08560	Musca-aurin-II	C18H16N2O10	420.0805	NA	KEGG	NA	NA
+MJ059185	Knipholone; 4'-O-De-Me 	C23H16O8	420.084517	NA	MeJP	NA	NA
+C13973	Methicillin sodium	C17H19N2O6S	420.0967	NA	KEGG	NA	NA
+C13974	Transferred to D02197	C17H19N2O6S	420.0967	NA	KEGG	NA	NA
+C13975	Transferred to D02198	C17H19N2O6S	420.0967	NA	KEGG	NA	NA
+MJ059186	Xylerythrinin 	C27H16O5	420.099773	NA	MeJP	NA	NA
+FL4DAAGS0001	Aromadendrin 3-beta-L-arabinopyranoside	C20H20O10	420.10564	158110-38-4	knapsack	NA	NA
+FL4DAAGS0008	Aromadendrin 4'-xyloside	C20H20O10	420.10564	72539-33-4	knapsack	NA	NA
+FL5FGGNS0005	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone	C20H20O10	420.10564	78516-77-5	knapsack	NA	NA
+FL5FGGNS0006	5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone	C20H20O10	420.10564	96887-19-3	knapsack	NA	NA
+FL5FGGNS0007	5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone	C20H20O10	420.10564	96887-20-6	knapsack	NA	NA
+FL5FGGNS0008	3-Demethyldigicitrin;3,5,3'-Trihydroxy-6,7,8,4',5'-pentamethoxyflavone;3,5-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C20H20O10	420.10564	158437-61-7	knapsack	NA	NA
+FL5FGLNS0008	5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone	C20H20O10	420.10564	113744-05-1	knapsack	NA	NA
+FL5FGLNS0009	5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone	C20H20O10	420.10564	107644-09-7	knapsack	NA	NA
+FL5FGLNS0010	5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone	C20H20O10	420.10564	100363-94-8	knapsack	NA	NA
+MJ059187	1,2,3-Trihydroxyxanthone; 3-Me ether, 1-O-?-D-glucopyranoside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059188	1,3,5-Trihydroxyxanthone; 5-Me ether, 1-O-?-D-glucopyranoside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059189	1,3,7-Trihydroxyxanthone; 3-Me ether, 7-O-?-D-glucopyranoside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059190	1,6,7-Trihydroxyxanthone; 7-Me ether, 6-O-?-D-glucopyranoside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059191	2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,4',6,7-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059192	2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,5',6,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059193	2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,6,7,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059194	2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059195	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3',4',6,7,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059196	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',6,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059197	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',5',6,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059198	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059199	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,7,8-Penta-Me ether 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059200	3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Arabinopyranoside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059201	3,4',5,7-Tetrahydroxyflavanone, 4'-O-D-Xyloside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059202	3,4',5,7-Tetrahydroxyflavanone, O-Xyloside 	C20H20O10	420.105646	NA	MeJP	NA	NA
+MJ059203	Quadrosilan 	C18H28O4Si4	420.106465	NA	MeJP	NA	NA
+MJ059204	Bismurrayaquinone A 	C26H16N2O4	420.111007	NA	MeJP	NA	NA
+PJ001168	GDDD 	C14H20N4O11	420.1129	NA	PeJP	NA	NA
+MJ059205	Doripenem 	C15H24N4O6S2	420.113725	NA	MeJP	NA	NA
+MJ059206	Darglitazone 	C23H20N2O4S	420.114377	NA	MeJP	NA	NA
+MJ059207	Melithiazoles; Melithiazole B 	C20H24N2O4S2	420.117748	NA	MeJP	NA	NA
+MJ059208	Acefylline; Clofibrate 	C19H21ClN4O5	420.120047	NA	MeJP	NA	NA
+MJ059209	Etofylline clofibrate 	C19H21ClN4O5	420.120047	NA	MeJP	NA	NA
+FL3F19NF0004	Glabratephrin;(3R,4R)-rel-(-)-4-(Acetyloxy)-4,5-dihydro-5,5-dimethyl-2'-phenylspiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione	C24H20O7	420.1209	51311-64-9	knapsack	NA	NA
+FL3FA9NC0001	5-O-Methylhoslundin;5,7-Dimethoxy-6-(5-methoxy-6-methyl-4-oxo-4H-pyran-3-yl)-2-phenyl-4H-1-benzopyran-4-one	C24H20O7	420.1209	135404-71-6	knapsack	NA	NA
+FL3FA9NC0004	Oppositin	C24H20O7	420.1209	151590-48-6	knapsack	NA	NA
+FL3FA9NF0004	Tephrorianin	C24H20O7	420.1209	204514-57-8	knapsack	NA	NA
+MJ059210	Artonol B 	C24H20O7	420.120902	NA	MeJP	NA	NA
+MJ059211	Glabratephrin 	C24H20O7	420.120902	NA	MeJP	NA	NA
+MJ059212	Hoslundin; Me ether 	C24H20O7	420.120902	NA	MeJP	NA	NA
+MJ059213	Knipholone; 10-Deoxo 	C24H20O7	420.120902	NA	MeJP	NA	NA
+MJ059214	Oppositin 	C24H20O7	420.120902	NA	MeJP	NA	NA
+MJ059215	Tephrorianin 	C24H20O7	420.120902	NA	MeJP	NA	NA
+MJ059216	10-Carboxyloganin 	C17H24O12	420.126776	NA	MeJP	NA	NA
+MJ059217	Hastatoside; 10-Hydroxy 	C17H24O12	420.126776	NA	MeJP	NA	NA
+MJ059218	Hastatoside; 8-Epimer, 9?-hydroxy 	C17H24O12	420.126776	NA	MeJP	NA	NA
+MJ059219	Piptoside 	C17H24O12	420.126776	NA	MeJP	NA	NA
+MJ059220	Secogalioside 	C17H24O12	420.126776	NA	MeJP	NA	NA
+MJ059221	Sesamoside 	C17H24O12	420.126776	NA	MeJP	NA	NA
+C11674	Secogalioside	C17H24O12	420.1268	NA	KEGG	NA	NA
+C14918	9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione	C22H29BrO3	420.13	NA	KEGG	NA	NA
+MJ059222	Peyssonol A 	C22H29BrO3	420.130007	NA	MeJP	NA	NA
+PJ001169	SPCD 	C15H24N4O8S	420.1315	NA	PeJP	NA	NA
+C09500	Melampodin A	C21H24O9	420.142	NA	KEGG	NA	NA
+C09754	Glycyphyllin	C21H24O9	420.142	NA	KEGG	NA	NA
+C10266	Isorhapontin	C21H24O9	420.142	NA	KEGG	NA	NA
+C10288	Rhaponticin	C21H24O9	420.142	NA	KEGG	NA	NA
+FL1D1AGS0001	Davidioside	C21H24O9	420.14203	23140-78-5	knapsack	NA	NA
+FL1D1AGS0002	Confusoside	C21H24O9	420.14203	21562-22-1	knapsack	NA	NA
+FL1DAAGS0001	Glycyphyllin	C21H24O9	420.14203	19253-17-9	knapsack	NA	NA
+FL63AAGS0005	Afzelechin 3-O-alpha-L-rhamnopyranoside	C21H24O9	420.14203	142741-31-9	knapsack	NA	NA
+MJ059223	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059224	1,2:4,5-Diepoxy-8,13-dihydroxy-7(11),10(14)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 13-Ac 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059225	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059226	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 4'-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059227	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether, 3''-O-?-D-glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059228	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether, 4'-O-?-D-glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059229	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether, 3''-O-?-D-glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059230	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), Me ester 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059231	3,4',5,7-Tetrahydroxyflavan, 3-O-?-L-Rhamnopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059232	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-?-L-Rhamnopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059233	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059234	3-Phenyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059235	5,8,9-Trihydroxy-14-oxo-1(10),4(15),11(13)-germacratrien-12,6-olide, 4?,15-Epoxide, 8-O-(2-methyl-2-propenoyl), 9-Ac 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059236	Abruquinone A, 6',8-Dimethoxy 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059237	Aloesaponol II, 6-Glucoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059238	Aloesaponol III, 8-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059239	Cochinolide; 6-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059240	Dihydroxythujaplicatin; 5-Me ether 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059241	Gorgiacerodiol; 3?,4?:5?,6?-Diepoxide 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059242	Nodifloridin B 	C21H24O9	420.142032	NA	MeJP	NA	NA
+MJ059243	Ononetin; 4'-O-?-D-Glucopyranoside 	C21H24O9	420.142032	NA	MeJP	NA	NA
+PJ001170	GCNQ 	C14H24N6O7S	420.1427	NA	PeJP	NA	NA
+PJ001171	GGGGAC 	C14H24N6O7S	420.1428	NA	PeJP	NA	NA
+MJ059244	Dactylomelol 	C20H34BrClO2	420.14307	NA	MeJP	NA	NA
+MJ059245	Talmetoprim 	C22H20N4O5	420.143369	NA	MeJP	NA	NA
+MJ059246	Bikoeniquinone A 	C27H20N2O3	420.147392	NA	MeJP	NA	NA
+PJ001172	GSEE 	C15H24N4O10	420.1493	NA	PeJP	NA	NA
+PJ001173	APCM 	C16H28N4O5S2	420.1501	NA	PeJP	NA	NA
+MJ059247	Pyridindolol, 14-O-?-D-Glucopyranoside 	C20H24N2O8	420.153265	NA	MeJP	NA	NA
+MJ059248	Pyridindolol, 15-O-?-D-Glucopyranoside 	C20H24N2O8	420.153265	NA	MeJP	NA	NA
+MJ059249	Pyridindolol, 16-O-?-D-Glucopyranoside 	C20H24N2O8	420.153265	NA	MeJP	NA	NA
+MetaCyc03482	dipyrromethane [3-{2-[4-(2-carboxy-ethyl)-3-carboxymethyl-5H-pyrrol-2-ylmethyl]-4-carboxymethyl-5-methyl-2H-pyrrol-3-yl}-propionate;dipyrromethane cofactor;]	C20H24N2O8	420.153266	NA	metacyc	NA	NA
+C06446	2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine	C20H24N2O8	420.1533	NA	KEGG	NA	NA
+FL2FALNP0020	Sanggenol O;(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone	C25H24O6	420.15728	426211-27-0	knapsack	NA	NA
+FL3FAANP0009	Yinyanghuo A;(-)-5,7-Dihydroxy-2-[8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-4H-1-benzopyran-4-one	C25H24O6	420.15728	174391-72-1	knapsack	NA	NA
+FL3FALNI0001	Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C25H24O6	420.15728	123064-86-8	knapsack	NA	NA
+FL3FALNP0001	Morusin;Mulberrochromene;2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H24O6	420.15728	62596-29-6	knapsack	NA	NA
+FL3FALNP0003	Brosimone G	C25H24O6	420.15728	123064-84-6	knapsack	NA	NA
+FL3FALNP0006	Kuwanon B	C25H24O6	420.15728	62949-78-4	knapsack	NA	NA
+FL3FALNP0007	Kuwanon A	C25H24O6	420.15728	62949-77-3	knapsack	NA	NA
+FL3FALNP0015	Australone A;2H,(-)-8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-6H-benzo[1,2-b:5,4-b']dipyran-6-one	C25H24O6	420.15728	196705-71-2	knapsack	NA	NA
+FL3FALNR0002	Cyclomulberrin	C25H24O6	420.15728	19275-51-5	knapsack	NA	NA
+FL3FALNR0004	Isocyclomulberrin;(+)-3,8,10-Trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C25H24O6	420.15728	152186-79-3	knapsack	NA	NA
+FL5F1CNP0002	Macaflavone I	C25H24O6	420.15728	102848-03-3	knapsack	NA	NA
+FL631CNC0003	Shanciol;trans-(-)-3,4,5,6-Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-2H-phenanthro[2,1-b]pyran-3,8-diol	C25H24O6	420.15728	173294-75-2	knapsack	NA	NA
+FLIAAAND0001	Ulexone C	C25H24O6	420.15728	128988-22-7	knapsack	NA	NA
+FLIAAAND0003	Ulexin D	C25H24O6	420.15728	405304-96-3	knapsack	NA	NA
+FLIAAANP0014	Euchrenone b8	C25H24O6	420.15728	130170-04-6	knapsack	NA	NA
+FLIAAANP0016	Euchrenone b9	C25H24O6	420.15728	130170-05-7	knapsack	NA	NA
+FLIAACNP0001	Pomiferin	C25H24O6	420.15728	572-03-2	knapsack	NA	NA
+FLIAACNP0003	Isoauriculasin	C25H24O6	420.15728	60297-38-3	knapsack	NA	NA
+FLIAACNP0004	Auriculasin;Cudraisoflavone A	C25H24O6	420.15728	60297-37-2	knapsack	NA	NA
+FLIAACNP0007	Gancaonin H;5,7,3'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone	C25H24O6	420.15728	126716-35-6	knapsack	NA	NA
+FLIAALNP0007	Isoauriculatin	C25H24O6	420.15728	30431-67-5	knapsack	NA	NA
+FLIAALNP0008	Auriculatin	C25H24O6	420.15728	20387-73-9	knapsack	NA	NA
+FLIAALNP0015	Angustone B;5,7,2'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone	C25H24O6	420.15728	100462-54-2	knapsack	NA	NA
+FLIAALNP0017	Angustone C;5,2',4'-Trihydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone	C25H24O6	420.15728	107585-63-7	knapsack	NA	NA
+FLIG1LNI0004	Lupinalbin F	C25H24O6	420.15728	121747-93-1	knapsack	NA	NA
+FLNFA9NP0001	Calophyllic acid	C25H24O6	420.15728	11025-23-3	knapsack	NA	NA
+MJ059250	5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059251	Auriculasin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059252	Auriculatin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059253	Australone A 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059254	Brosimone G 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059255	Brosimone I 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059256	Calophyllic acid 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059257	Chandalone; 2'-Hydroxy 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059258	Chitanone 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059259	Cudraflavone B 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059260	Cycloartocarpin; O-De-Me 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059261	Cyclomulberrin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059262	Euchrenone b9 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059263	Ficusin B 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059264	Gancaonin H 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059265	Glyasperin J; 2,3-Didehydro 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059266	Isoauriculasin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059267	Isochandalone; 2''-Hydroxy, ?3''-isomer 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059268	Isochandalone; 2'-Hydroxy 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059269	Isopomiferin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059270	Kuwanon A 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059271	Kuwanon B 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059272	Lemuninol B; 5-Me ether 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059273	Lespedezol A6 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059274	Lespedezol C1 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059275	Lupinalbin F 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059276	Lupinisoflavone K 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059277	Macaflavone I 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059278	Mammeigin; 4''-Hydroxy 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059279	Morusin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059280	Parvisoflavone B; 4'-O-(3-Methyl-2-butenyl) 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059281	Pomiferin 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059282	Scandenone; 2''',3'''-Epoxide 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059283	Scandenone; ?3'''-Isomer, 2'''-hydroxy 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059284	Shanciol 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059285	Ulexone C 	C25H24O6	420.157288	NA	MeJP	NA	NA
+MJ059286	Yinyanghuo A 	C25H24O6	420.157288	NA	MeJP	NA	NA
+C10106	Morusin	C25H24O6	420.1573	NA	KEGG	NA	NA
+C10519	Pomiferin	C25H24O6	420.1573	NA	KEGG	NA	NA
+PJ001174	SSNN 	C14H24N6O9	420.1605	NA	PeJP	NA	NA
+C13334	Pitavastatin	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13335	Transferred to D01863	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13336	Transferred to D01864	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13337	Transferred to D01865	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13338	Transferred to D01866	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13339	Transferred to D01867	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13340	Transferred to D01868	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+C13341	Transferred to D01869	C25H23FNO4	420.1611	NA	KEGG	NA	NA
+MJ059287	1-(3,4,5-Trihydroxyphenyl)-1,2,3-propanetriol; 3',4',5'-Tri-Me ether, 3-O-?-D-glucopyranoside 	C18H28O11	420.163161	NA	MeJP	NA	NA
+MJ059288	Lamiol; 8-Ac 	C18H28O11	420.163161	NA	MeJP	NA	NA
+MJ059289	Phlomurin 	C18H28O11	420.163161	NA	MeJP	NA	NA
+C11645	Lamioside	C18H28O11	420.1632	NA	KEGG	NA	NA
+PJ001175	SEW 	C19H24N4O7	420.1645	NA	PeJP	NA	NA
+PJ001176	AAEM 	C16H28N4O7S	420.1679	NA	PeJP	NA	NA
+MJ059290	N-[[1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl]glycine; 2-Methoxyphenyl ester 	C24H24N2O5	420.168521	NA	MeJP	NA	NA
+MJ059291	Ascofuranol; Ketone 	C23H29ClO5	420.170351	NA	MeJP	NA	NA
+MJ059292	Tienoxolol 	C21H28N2O5S	420.171892	NA	MeJP	NA	NA
+7920	synthetic peptide	QHH	420.174	antioxidative	Inhouse_peptide	NA	peptide
+C09428	Eupacunolin	C22H28O8	420.1784	NA	KEGG	NA	NA
+C09429	Eupacunoxin	C22H28O8	420.1784	NA	KEGG	NA	NA
+C09432	Eupaformosanin	C22H28O8	420.1784	NA	KEGG	NA	NA
+C09439	Eupatocunoxin	C22H28O8	420.1784	NA	KEGG	NA	NA
+C09475	Hiyodorilactone A	C22H28O8	420.1784	NA	KEGG	NA	NA
+MJ059293	1,10-Epoxy-3,6,8-trihydroxy-7(11)-eremophilen-12,8-olide, 8-Angeloyl, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059294	1,10-Epoxy-3,8,14-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 14-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059295	1,10-Epoxy-3,8,15-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059296	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059297	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059298	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2Z-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059299	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059300	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059301	1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059302	1,10-Epoxy-4,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059303	1,10-Epoxy-5,8-dihydroxy-4(15),11(13)-germacradien-12,6-olide, 3?-Acetoxy, 8-angeloyl 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059304	1,10-Epoxy-8,14-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 14-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059305	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059306	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059307	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059308	1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 15-Hydroxy, 8-angeloyl, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059309	1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059310	1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 15-Hydroxy, 8-angeloyl, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059311	1,3,8-Trihydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059312	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059313	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059314	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059315	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059316	1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059317	1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059318	1-(3,5-Dihydroxyphenyl)-2-(3-hydroxyphenyl)ethane; 3,3'-Di-Me ether, 5-O-?-D-glucopyranoside 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059319	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; 16-Acetoxy, 17-hydroxy 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059320	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 17-Acetoxy, 16-hydroxy 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059321	15,16-Epoxy-1,2,7,12-tetrahydroxy-3,13(16),14-clerodatrien-18,19-olide, 7-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059322	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?,17-Epoxy, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059323	15,16-Epoxy-6,7,18,19-tetrahydroxy-3,13(16),14-clerodatrien-20,12-olide, 19-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059324	2,3,8-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(Acetoxymethyl)-2-butenoyl](Z-) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059325	2,6,8-Trihydroxy-4-oxo-11(13)-pseudoguaien-12,9-olide, 6-Angeloyl, 8-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059326	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059327	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione; 3?-enol-form, 16R-Hydroxy, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059328	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione, 16-Hydroxy, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059329	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059330	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3',4',5,5'-Tetra-Me ether 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059331	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059332	3,6-Epoxy-8,11-dihydroxy-10-oxo-3,5,12,15-cembratetraene-18,20-dioic acid, Di-Me ester 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059333	3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059334	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Hydroxymethyl-2E-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059335	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059336	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2-butenoyl)(E-) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059337	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(2,3-Epoxy-2-methylbutanoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059338	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-4-hydroxy-2E-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059339	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2E-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059340	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059341	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2Z-butenoyl), 3-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059342	4,14-Epoxy-8,9,15-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059343	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(4-Acetoxy-2-methyl-2E-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059344	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059345	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Acetoxymethyl-2Z-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059346	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059347	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3-Ketone, 19-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059348	4,18:12,20:15,16-Triepoxy-7,19,20-trihydroxy-13(16),14-clerodadien-6-one, 19-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059349	4,18:13,16:19,20-Triepoxy-6,12,20-trihydroxy-13(16),14-clerodadien-7-one, 12-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059350	4,18:15,16-Diepoxy-2,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059351	4,18:15,16-Diepoxy-3,6,12-trihydroxy-13(16),14-clerodadien-20,19-olide, 6-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059352	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059353	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059354	4,5-Epoxy-8,10,13-trihydroxy-7-guaien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059355	4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059356	4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059357	4,5-Epoxy-8,13-dihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059358	4,5-Epoxy-8,13-dihydroxy-14-oxo-1(10),7(11)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059359	4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059360	4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059361	4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059362	4,8,13-Trihydroxy-1-oxo-5,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059363	5,8,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl, 10-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059364	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2R,3R-Epoxy-2-methylbutanoyl), 8-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059365	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059366	7,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059367	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 15-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059368	8,14-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2-butenoyl)(E-), 14-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059369	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl), 15-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059370	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2Z-butenoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059371	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-(4-Acetoxy-3-hydroxy-2-methylenebutanoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059372	8,15-Dihydroxy-1,3-elemadien-12,6-olide, 11,13-Didehydro, 8-(4-acetoxy-3-hydroxy-2-methylenebutanoyl) 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059373	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059374	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 9-Angeloyl, 8-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059375	8,9,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059376	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059377	9,13-Epoxy-8-hydroxy-7-oxo-15,16:19,6-labdanediolide, Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059378	Castaneiolide 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059379	Citreoviridinol A1 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059380	Eremantholide B; 15-Acetoxy 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059381	Gracilin B 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059382	Isodonal; 6-Carboxylic acid 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059383	Lanugone F; 19-Formyloxy, 7-formyl 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059384	Nodosin; 19-Acetoxy 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059385	Teugnaphalodin; 12-Ac 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059386	Teuvincentin B 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059387	Trichorabdal D 	C22H28O8	420.178417	NA	MeJP	NA	NA
+MJ059388	Trichorabdal E 	C22H28O8	420.178417	NA	MeJP	NA	NA
+PJ001177	DMR 	C15H28N6O6S	420.1791	NA	PeJP	NA	NA
+3131	ester transferases inhibitor	WRMWY	420.1812	MH2+	Inhouse_peptide	NA	peptide
+PJ001178	CLW 	C20H28N4O4S	420.1831	NA	PeJP	NA	NA
+MJ059389	Bismurrayafoline A 	C28H24N2O2	420.183778	NA	MeJP	NA	NA
+MJ059390	Chrestifoline A 	C28H24N2O2	420.183778	NA	MeJP	NA	NA
+MJ059391	Murrafoline F 	C28H24N2O2	420.183778	NA	MeJP	NA	NA
+MJ059392	Murrastifoline A 	C28H24N2O2	420.183778	NA	MeJP	NA	NA
+MJ059393	Murrastifoline F 	C28H24N2O2	420.183778	NA	MeJP	NA	NA
+PJ001179	ATTE 	C16H28N4O9	420.1856	NA	PeJP	NA	NA
+7905	peptide from bovine b-lactoglobulin	WYSLAMA	420.1862	MH2+	Inhouse_peptide	NA	peptide
+PJ001180	QHH 	C17H24N8O5	420.187	NA	PeJP	NA	NA
+MJ059394	Trigevolol 	C21H28N2O7	420.189651	NA	MeJP	NA	NA
+FL2F1CNI0002	Ovaliflavanone D	C26H28O5	420.19367	75680-30-7	knapsack	NA	NA
+FL2FABNI0007	Burttinonedehydrate;(S)-5,7-Dihydroxy-4'-methoxy-3'-(3-methylbutadienyl)-5'-(3-methylbut-2-enyl)flavanone	C26H28O5	420.19367	601470-33-1	knapsack	NA	NA
+FLIAAANI0013	7-O-Methylisolupalbigenin	C26H28O5	420.19367	405297-97-4	knapsack	NA	NA
+FLIC1LNP0011	Nitidulan	C26H28O5	420.19367	66446-91-1	knapsack	NA	NA
+FLID1CNI0002	Nitiducol;4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan	C26H28O5	420.19367	66446-94-4	knapsack	NA	NA
+FLIDBANP0003	Gangetin	C26H28O5	420.19367	32986-79-1	knapsack	NA	NA
+MJ059395	3',4',7-Trihydroxy-6,8-diprenylflavanone, 3',4'-Methylene ether 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059396	4',5,7-Trihydroxy-6,8-diprenylisoflavone; 5-Me ether 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059397	4',7-Dihydroxy-5-methoxyisoflavone; 4'-O-(3,7-Dimethyl-2,6-octadienyl)(E-) 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059398	7-Hydroxy-4'-methoxyisoflavone; 7-O-(8-Hydroxy-3,7-dimethyl-2,6-octadienyl)(2E,6Z) 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059399	Gangetin 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059400	Kanzonol F 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059401	Nitiducol 	C26H28O5	420.193674	NA	MeJP	NA	NA
+MJ059402	Nitidulan 	C26H28O5	420.193674	NA	MeJP	NA	NA
+C14636	9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-	C23H29FO6	420.1948	NA	KEGG	NA	NA
+MJ059403	Fluprednisolone; 21-Ac 	C23H29FO6	420.194816	NA	MeJP	NA	NA
+MJ059404	Isoflupredone; 21-Ac 	C23H29FO6	420.194816	NA	MeJP	NA	NA
+MJ059405	Ocaperidone 	C24H25FN4O2	420.196154	NA	MeJP	NA	NA
+MJ059406	Aucubigenin; 3?-Butoxy, 3,4-dihydro, 1-O-?-D-glucopyranoside 	C19H32O10	420.199547	NA	MeJP	NA	NA
+MJ059407	[[1-[2-[[4-[Amino(hydroxyimino)methyl]benzoyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]acetic acid, Et ester 	C20H28N4O6	420.200884	NA	MeJP	NA	NA
+PJ001181	AAPY 	C20H28N4O6	420.2009	NA	PeJP	NA	NA
+PJ001182	GTLM 	C17H32N4O6S	420.2043	NA	PeJP	NA	NA
+MJ059408	Ircinia chlorohydrin 1 	C24H33ClO4	420.206737	NA	MeJP	NA	NA
+7981	synthetic peptide	HKH	420.21	antioxidative	Inhouse_peptide	NA	peptide
+7986	synthetic peptide	KHH	420.21	inhibitor	Inhouse_peptide	NA	peptide
+PJ001183	APPH 	C19H28N6O5	420.2121	NA	PeJP	NA	NA
+MJ059409	1,5,7-Trihydroxy-17-vouacapanoic acid, 1-Ac, Me ester 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059410	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-Me ether, 6-Ac 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059411	3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4,4',5-Penta-Me ether 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059412	3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4',9,9'-Penta-Me ether 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059413	3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059414	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059415	5,6,8,14-Protoilludanetetrol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059416	6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Me ether, 16-Ac 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059417	9,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14,15-Bis(2-methylpropanoyl) 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059418	Antiarigenin 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059419	Antibiotic L 731120 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059420	Antibiotic SI 4228C 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059421	Nodosin; 15?-Alcohol, O6-Me, 15-Ac 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059422	Strophanthidinic acid 	C23H32O7	420.214803	NA	MeJP	NA	NA
+MJ059423	Trichoverrol A 	C23H32O7	420.214803	NA	MeJP	NA	NA
+7578	ACE inhibitor	WSVPQPK	420.2175	MH2+	Inhouse_peptide	NA	peptide
+7897	peptide from human milk b-casein (154-160)	WSVPQPK	420.2175	MH2+	Inhouse_peptide	NA	peptide
+MJ059424	Cabastine 	C26H29FN2O2	420.221306	NA	MeJP	NA	NA
+PJ001184	STTL 	C17H32N4O8	420.222	NA	PeJP	NA	NA
+PJ001185	KHH 	C18H28N8O4	420.2234	NA	PeJP	NA	NA
+MJ059425	Hexoprenaline 	C22H32N2O6	420.226036	NA	MeJP	NA	NA
+MJ059426	Brifentanil 	C20H29FN6O3	420.228517	NA	MeJP	NA	NA
+MJ059427	Lincomycin; N-De-Me, N-Et 	C19H36N2O6S	420.229407	NA	MeJP	NA	NA
+MJ059428	Lincomycin; S-De-Me, S-Et 	C19H36N2O6S	420.229407	NA	MeJP	NA	NA
+MJ059429	3-[1-(2-Carboxy-1-methylethenyl)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]benzoic acid 	C27H32O4	420.230059	NA	MeJP	NA	NA
+MJ059430	4',7-Dihydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H32O4	420.230059	NA	MeJP	NA	NA
+MJ059431	Clusiaparalicoline B 	C27H32O4	420.230059	NA	MeJP	NA	NA
+MJ059432	Crinatusins; Crinatusin B1 	C27H32O4	420.230059	NA	MeJP	NA	NA
+MJ059433	Crinatusins; Crinatusin B2 	C27H32O4	420.230059	NA	MeJP	NA	NA
+MJ059434	Kazinol L 	C27H32O4	420.230059	NA	MeJP	NA	NA
+MJ059435	Pirepolol 	C21H32N4O5	420.23727	NA	MeJP	NA	NA
+PJ001186	AALF 	C21H32N4O5	420.2373	NA	PeJP	NA	NA
+MJ059436	Clostebol; Hexanoyl 	C25H37ClO3	420.243122	NA	MeJP	NA	NA
+PJ001187	VFR 	C20H32N6O4	420.2485	NA	PeJP	NA	NA
+MJ059437	1(15),8(19)-Trinervitadiene-2,3,9,20-tetrol, 9,20-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059438	1(15),8-Dolastadiene-4,7,10,14-tetrol, 7,10-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059439	11,12-Epoxy-15,16-spongianediol, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059440	11,16:15,16-Diepoxy-4(18)-clerodene-6,19-diol, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059441	12,13:15,16-Diepoxy-3-clerodene-15,16-diol, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059442	15,16-Epoxy-4(18),11-clerodadiene-13,15,16-triol, 15,16-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059443	15,16-Epoxy-4(18),12-clerodadiene-14,15,16-triol, 15,16-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059444	15,17-Epoxy-6,17-dihydroxy-16-spongianone, 6-Butanoyl 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059445	15,17-Epoxy-7,17-dihydroxy-16-spongianone, 7-Butanoyl 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059446	16,17,19-Kauranetriol, 19-Carboxylic acid, 16,17-di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059447	16,17,19-Trihydroxy-3-phyllocladanone; 16?-form, 17,19-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059448	16,19-Dihydroxy-8(17),13-labdadien-15-oic acid, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059449	16-Kaurene-3,12,15,19-tetrol, 3,19-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059450	16-Kaurene-3,6,11,15-tetrol, 3,6-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059451	16-Kaurene-3,7,15,18-tetrol, 15,18-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059452	16-Kaurene-3,7,15,18-tetrol, 7,18-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059453	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 3,4-dihydro, 18,19-di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059454	2,3-Dihydroxy-7,13-labdadien-15-oic acid, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059455	2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid, 10'-Acetoxy 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059456	2,5-Dihydroxy-10-oxo-4,10-seco-13(15),17-spatadien-12-al, 12-Alcohol, 2,5-di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059457	2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059458	2,9:3,16-Diepoxy-7-asbestinene-6,11-diol, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059459	3,10(18),14-Prenylguaiatriene-6,9,12,13-tetrol, 12,13-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059460	3-Methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioic acid; Di-Me ester 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059461	4(20),11-Taxadiene-2,5,10,14-tetrol, 2,5-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059462	4(20),11-Taxadiene-5,9,10,13-tetrol, 9,10-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059463	6,13-Epoxy-4,12-dihydroxy-7-eunicellen-9-one, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059464	6,13-Epoxy-4,9-dihydroxy-8(19)-eunicellen-16,12-olide, 4-Butanoyl 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059465	6,13-Epoxy-8(19)-eunicellene-4,9,12-triol, 9-Ketone, di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059466	6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 6,7-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059467	7,17-Dihydroxy-16-spongianone; 7?-form, Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059468	8,13,16-Trihydroxy-5-neoverrucosanone, 8,16-Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059469	8,13-Epoxy-14-labdene-3,6,7-triol, 7-Ketone, 3,6-di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059470	Deoxynortrichoharzin 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059471	Fukinolidiol; 1-(2-Methylbutanoyl), 9-(2-methylpropanoyl) 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059472	Fukinolidiol; 1-(3-Methylbutanoyl), 9-(2-methylpropanoyl) 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059473	Fukinolidiol; 9-(3-Methylbutanoyl), 1-(2-methylpropanoyl) 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059474	Macrolactinic acid 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059475	Mevinolin; 3'-Hydroxy 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059476	Phlebiachrysoic acid C; 15',16'-Dihydro 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059477	Phlebiachrysoic acid C; 8',9'-Dihydro 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059478	Polyrhaphin A 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059479	Shahamin E; Di-Ac 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059480	Shahamin K 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059481	Tyrinnal 	C24H36O6	420.251188	NA	MeJP	NA	NA
+MJ059482	Pipebuzone 	C25H32N4O2	420.252526	NA	MeJP	NA	NA
+MJ059483	Pipradimadol 	C24H37ClN2O2	420.254356	NA	MeJP	NA	NA
+HMDB07004	CPA(18:0/0:0)	C21H41O6P	420.264069	NA	HMDB2010	NA	NA
+C08638	Tingenone	C28H36O3	420.2664	NA	KEGG	NA	NA
+C14667	Testosterone phenylpropionate	C28H36O3	420.2664	NA	KEGG	NA	NA
+MJ059484	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(Phenylpropanoyl) 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059485	3,28-Dihydroxy-24,30-dinor-1(10),3,5,7,20(29)-friedelapentaen-2-one 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059486	3-Hydroxy-24,30-dinor-1(10),3,5,20(29)-friedelatetraene-2,7-dione 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059487	Balaenol 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059488	Iguesterin; 16?-Hydroxy 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059489	Iguesterin; 7,8-Dihydro, 7-oxo 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059490	Isotingenone III 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059491	Russulaflavidin 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059492	Tingenin A 	C28H36O3	420.266445	NA	MeJP	NA	NA
+MJ059493	Cyclo(leucylprolylleucylprolyl) 	C22H36N4O4	420.273655	NA	MeJP	NA	NA
+MJ059494	Fenestin A 	C22H36N4O4	420.273655	NA	MeJP	NA	NA
+MJ059495	11-Isocopalen-15-oic acid, (2-Acetoxy-3-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059496	11-Isocopalen-15-oic acid, (3-Acetoxy-2-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059497	12-Isocopalen-15-oic acid, (2-Acetoxy-3-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059498	12-Isocopalen-15-oic acid, (3-Acetoxy-2-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059499	12-Isocopalen-15-oic acid; 14àH-form, (2-Acetoxy-3-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059500	12-Isocopalen-15-oic acid; 14àH-form, (3-Acetoxy-2-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059501	13(16)-Isocopalen-15-oic acid, 2-Acetoxy-3-hydroxypropyl ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059502	13(16)-Isocopalen-15-oic acid, 3-Acetoxy-2-hydroxypropyl ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059503	16,17,19-Kauranetriol, 19-Carboxylic acid, 17-O-(3-methylbutanoyl) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059504	2,6,10,14-Phytatetraen-1-ol, 1-Carboxylic acid, 3-acetoxy-2-hydroxypropyl ester (S-) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059505	20(10?9)-Abeo-4,5-seco-3,5(10)-isocopaladien-15-oic acid, (2-Acetoxy-3-hydroxypropyl)ester (S-) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059506	20(10?9)-Abeo-4,5-seco-3,5(10)-isocopaladien-15-oic acid, (3-Acetoxy-2-hydroxypropyl)ester (S-) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059507	20(10?9)-Abeo-5-isocopalen-15-oic acid; (2-Acetoxy-3-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059508	20(10?9)-Abeo-5-isocopalen-15-oic acid; (3-Acetoxy-2-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059509	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059510	8(17),13-Labdadien-15-ol, 15-Carboxylic acid, (3-acetoxy-2S-hydroxypropyl) ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059511	8,10,13(15),16-Lobatetraen-18-ol; O-?-D-Arabinopyranosyl 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059512	8,13-Epoxy-18-hydroxy-15-labdanoic acid, O-(3-Methyl-2-butenoyl) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059513	8,13-Epoxy-18-hydroxy-15-labdanoic acid, O-Angeloyl 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059514	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 2-Methylbutanoyl 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059515	9,13-Epoxy-17-hydroxy-7-labden-15-oic acid, 3-Methylbutanoyl 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059516	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-(2-Methylbutanoyl) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059517	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-(3-Methylbutanoyl) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059518	Diacarnoic acid B; Me ester 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059519	Pregnane-2,3,16,20-tetrol, 20-(2-Methylpropenoyl) 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059520	Verrucosin 2 	C25H40O5	420.287574	NA	MeJP	NA	NA
+MJ059521	3-Hydroxy-28-nor-11,13(18),17(22)-oleanatrien-21-one; 3?-form, 3-Ketone 	C29H40O2	420.30283	NA	MeJP	NA	NA
+MJ059522	5-Methylene-3-(6,9,12,15,18,21-tetracosahexaenyl)-2(5H)-furanone 	C29H40O2	420.30283	NA	MeJP	NA	NA
+MJ059523	13,17,19-Villanovanetriol, 19-O-(3-Methylpentanoyl) 	C26H44O4	420.323959	NA	MeJP	NA	NA
+C15636	6-Ethylchenodeoxycholic acid	C26H44O4	420.324	NA	KEGG	NA	NA
+MJ059524	23,29-Imino-B(9a)-homo-19-norstigmasta-1(10),7,9(11),23(N)-tetraen-3-amine 	C29H44N2	420.350449	NA	MeJP	NA	NA
+C05425	3beta,5alpha,6beta-Cholestanetriol	C27H48O3	420.3603	NA	KEGG	NA	NA
+C05426	RING	C27H48O3	420.3603	NA	KEGG	NA	NA
+C05444	3alpha,7alpha,26-Trihydroxy-5beta-cholestane	C27H48O3	420.3603	NA	KEGG	NA	NA
+C05454	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane	C27H48O3	420.3603	NA	KEGG	NA	NA
+MJ059525	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059526	3alpha,7alpha,26-Trihydroxy-5beta-cholestane 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059527	3beta,5alpha,6beta-Cholestanetriol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059528	Cholestane-2,3,6-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059529	Cholestane-3,5,6-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059530	Cholestane-3,6,14-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059531	Cholestane-3,7,12-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059532	Cholestane-3,7,24-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059533	Cholestane-3,7,25-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059534	Cholestane-3,7,26-triol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MJ059535	Hipposterol 	C27H48O3	420.360345	NA	MeJP	NA	NA
+MetaCyc03483	5-&beta;-cholestane-3&alpha;,7&alpha;,12&alpha;-triol []	C27H48O3	420.360345	NA	metacyc	NA	NA
+HMDB01457	5-b-Cholestane-3a ,7a ,12a-triol	C27H48O3	420.36035	http://www.hmdb.ca/metabolites/HMDB01457	HMDB	NA	NA
+HMDB03990	3beta,5alpha,6beta-Cholestanetriol	C27H48O3	420.36035	http://www.hmdb.ca/metabolites/HMDB03990	HMDB	NA	NA
+HMDB01457	5-b-Cholestane-3a ,7a ,12a-triol	C27H48O3	420.36035	HMDB01457	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03990	3beta,5alpha,6beta-Cholestanetriol	C27H48O3	420.36035	HMDB03990	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01457	5-b-Cholestane-3a ,7a ,12a-triol	C27H48O3	420.360352	NA	HMDB2010	NA	NA
+HMDB03990	3b,5a,6b-Cholestanetriol	C27H48O3	420.360352	NA	HMDB2010	NA	NA
+HMDB12455	3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane	C27H48O3	420.360352	NA	HMDB2010	NA	NA
+MJ059536	17,21-Octacosadienoic acid 	C28H52O2	420.39673	NA	MeJP	NA	NA
+MJ059537	25-Methyl-5,9-heptacosadienoic acid 	C28H52O2	420.39673	NA	MeJP	NA	NA
+MJ059538	26-Methyl-5,9-heptacosadienoic acid 	C28H52O2	420.39673	NA	MeJP	NA	NA
+MJ059539	Iopydol 	C8H9I2NO3	420.867179	NA	MeJP	NA	NA
+MJ059540	Bendroflumethiazide 	C15H14F3N3O4S2	421.037781	NA	MeJP	NA	NA
+C07758	Bendroflumethiazide	C15H14F3N3O4S2	421.0378	NA	KEGG	NA	NA
+C14126	Ro 61-8048	C17H15N3O6S2	421.0402	NA	KEGG	NA	NA
+MJ059541	3,4-Dimethoxy-N-[4-(3-nitrophenyl)-2-thiazolyl]benzenesulfonamide 	C17H15N3O6S2	421.040226	NA	MeJP	NA	NA
+MJ059542	4-(Methylthio)butyl glucosinolate 	C12H23NO9S3	421.053493	NA	MeJP	NA	NA
+C08409	Glucoerucin	C12H23NO9S3	421.0535	NA	KEGG	NA	NA
+MJ059543	5-[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid 	C20H20ClNO7	421.092829	NA	MeJP	NA	NA
+MJ059544	Erysothiovine 	C20H23NO7S	421.119522	NA	MeJP	NA	NA
+MJ059545	Methylbenactyzium(1+); Bromide 	C21H28BrNO3	421.125256	NA	MeJP	NA	NA
+PJ001188	GCNE 	C14H23N5O8S	421.1268	NA	PeJP	NA	NA
+MJ059546	2,4-Dihydroxy-3-methylenebutanoic acid, Nitrile, 5-(4-hydroxycinnamoyl), 2-O-?-D-glucopyranoside 	C20H23NO9	421.137281	NA	MeJP	NA	NA
+MJ059547	4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile(E-), O-(4-hydroxy-E-cinnamoyl), O-?-D-glucopyranoside 	C20H23NO9	421.137281	NA	MeJP	NA	NA
+MJ059548	Jatropham, O-(6-O-p-Hydroxycinnamoyl-?-D-glucopyranoside) 	C20H23NO9	421.137281	NA	MeJP	NA	NA
+PJ001189	CNW 	C18H23N5O5S	421.142	NA	PeJP	NA	NA
+MJ059549	Coelenterazine; 1'',7-Didehydro 	C26H19N3O3	421.142641	NA	MeJP	NA	NA
+MJ059550	Ftormetazine 	C21H22F3N3OS	421.143567	NA	MeJP	NA	NA
+PJ001190	SSND 	C14H23N5O10	421.1445	NA	PeJP	NA	NA
+MJ059551	Flubepride 	C20H24FN3O4S	421.147155	NA	MeJP	NA	NA
+MJ059552	Mosapride 	C21H25ClFN3O3	421.156847	NA	MeJP	NA	NA
+7907	synthetic peptide	HEH	421.158	antioxidative	Inhouse_peptide	NA	peptide
+7979	synthetic peptide	EHH	421.158	antioxidative	Inhouse_peptide	NA	peptide
+PJ001191	GSQM 	C15H27N5O7S	421.1631	NA	PeJP	NA	NA
+MJ059553	Topotecan 	C23H23N3O5	421.16377	NA	MeJP	NA	NA
+C11158	Topotecan	C23H23N3O5	421.1638	NA	KEGG	NA	NA
+MJ059554	Utibaprilat 	C20H27N3O5S	421.167141	NA	MeJP	NA	NA
+MJ059555	Cypothrin 	C28H23NO3	421.167793	NA	MeJP	NA	NA
+MJ059556	Itavastatin 	C25H24FNO4	421.168936	NA	MeJP	NA	NA
+PJ001192	EHH 	C17H23N7O6	421.171	NA	PeJP	NA	NA
+PJ001193	GSCR 	C14H27N7O6S	421.1744	NA	PeJP	NA	NA
+MJ059557	Clomifene; N-Oxide 	C26H28ClNO2	421.180856	NA	MeJP	NA	NA
+PJ001194	SSTQ 	C15H27N5O9	421.1809	NA	PeJP	NA	NA
+MJ059558	Karakoramine 	C25H27NO5	421.188922	NA	MeJP	NA	NA
+MJ059559	Verticillatine 	C25H27NO5	421.188922	NA	MeJP	NA	NA
+MJ059560	Vertine, 5-Epimer, O23-De-Me 	C25H27NO5	421.188922	NA	MeJP	NA	NA
+MJ059561	Vertine, O23-De-Me 	C25H27NO5	421.188922	NA	MeJP	NA	NA
+MJ059562	Gerambullin; 1-Hydroxy 	C22H31NO5S	421.192293	NA	MeJP	NA	NA
+MJ059563	Gerambullin; 12-Hydroxy 	C22H31NO5S	421.192293	NA	MeJP	NA	NA
+MJ059564	Gerambullin; 8'-Hydroxy 	C22H31NO5S	421.192293	NA	MeJP	NA	NA
+PJ001195	QQF 	C19H27N5O6	421.1961	NA	PeJP	NA	NA
+PJ001196	GAQF 	C19H27N5O6	421.1962	NA	PeJP	NA	NA
+3707	NA	YPFGFRG	421.197	MH2+	Inhouse_peptide	NA	peptide
+PJ001197	GSKM 	C16H31N5O6S	421.1995	NA	PeJP	NA	NA
+MJ059565	2-[[3-[[[(Phenylamino)carbonyl]hydrazono]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]benzenepropanoic acid 	C24H27N3O4	421.200156	NA	MeJP	NA	NA
+C11098	Fenpyroximate	C24H27N3O4	421.2002	NA	KEGG	NA	NA
+C11099	Transferred to D01042	C24H27N3O4	421.2002	NA	KEGG	NA	NA
+MJ059566	Delboxine; 14-Demethoxy, 14-oxo, 8-O-de-Me 	C22H31NO7	421.210052	NA	MeJP	NA	NA
+MJ059567	Sufotidine 	C20H31N5O3S	421.21476	NA	MeJP	NA	NA
+PJ001198	SSTK 	C16H31N5O8	421.2173	NA	PeJP	NA	NA
+C12332	Militarinone D	C26H31NO4	421.2253	NA	KEGG	NA	NA
+C12340	Ancistrotectorine	C26H31NO4	421.2253	NA	KEGG	NA	NA
+MJ059568	Ancistrobrevine B; 6-Me ether 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059569	Ancistrobrevine B; Atropisomer, 1-epimer, 6-Me ether 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059570	Ancistrobrevine B; Atropisomer, N-Me 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059571	Ancistrocladine; 1- And/or 3-epimer, Me ether 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059572	Ancistrocladine; 1-Epimer, N-Me 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059573	Ancistrocladine; Atropisomer, 1-epimer, Me ether 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059574	Ancistrocladine; Me ether 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059575	Ancistrotectorine 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059576	Antibiotic TMC 69 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+MJ059577	Lythrumine 	C26H31NO4	421.225308	NA	MeJP	NA	NA
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR480	Leukotriene E4 F2	NA	421.227625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR480	Leukotriene E4 F2	NA	421.227625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR480	Leukotriene E4 F2	NA	421.227625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR480	Leukotriene E4 F2	NA	421.227625	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR480	Leukotriene E4 F2	F2	421.227625	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ001199	QKF 	C20H31N5O5	421.2325	NA	PeJP	NA	NA
+MJ059578	Antibiotic 610MF 	C25H31N3O3	421.236541	NA	MeJP	NA	NA
+MJ059579	Celacinnine, 3S-Hydroxy 	C25H31N3O3	421.236541	NA	MeJP	NA	NA
+MJ059580	Pleurostyline; 7'-Hydroxy, 7',8'-dihydro 	C25H31N3O3	421.236541	NA	MeJP	NA	NA
+MJ059581	Mopidamol 	C19H31N7O4	421.243752	NA	MeJP	NA	NA
+MJ059582	Threonylarginylphenylalaninamide; L-L-L-form 	C19H31N7O4	421.243752	NA	MeJP	NA	NA
+MJ059583	Acoseptrine; 10-Deoxy, 6-ketone 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059584	Delpheline; O1,O14-Di-de-Me 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059585	Gadesine 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059586	Kiritine 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059587	Neoline; O16-De-Me, 16-ketone 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059588	Nevadensine 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059589	Nudicaulamine; O1,O18-Di-de-Me 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059590	Tatsidine 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059591	Toddaliamide; 3''-Me ether 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059592	Tongolenine C 	C23H35NO6	421.246437	NA	MeJP	NA	NA
+MJ059593	Otenzepad 	C24H31N5O2	421.247775	NA	MeJP	NA	NA
+7863	peptide from prawn muscle (Penaeus japonicus)	FKK	421.256	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ059594	Paxilline; 3?-Alcohol, 4b-deoxy 	C27H35NO3	421.261693	NA	MeJP	NA	NA
+MJ059595	Terpendole D; 3-Deoxy, 27-de-O-(3-methyl-2-butenyl) 	C27H35NO3	421.261693	NA	MeJP	NA	NA
+MJ059596	Ussuriedine; 6-Ketone 	C27H35NO3	421.261693	NA	MeJP	NA	NA
+PJ001200	KKF 	C21H35N5O4	421.2689	NA	PeJP	NA	NA
+MJ059597	Mazapertine 	C26H35N3O2	421.272927	NA	MeJP	NA	NA
+C08713	Talatizamine	C24H39NO5	421.2828	NA	KEGG	NA	NA
+MJ059598	Bicolorine; 6-Epimer, O1,O6-di-Me 	C24H39NO5	421.282823	NA	MeJP	NA	NA
+MJ059599	Bicolorine; O1,O8-Di-Me 	C24H39NO5	421.282823	NA	MeJP	NA	NA
+MJ059600	Cassaine; 19-Hydroxy 	C24H39NO5	421.282823	NA	MeJP	NA	NA
+MJ059601	Norcassamidide 	C24H39NO5	421.282823	NA	MeJP	NA	NA
+MJ059602	Norcassamidine 	C24H39NO5	421.282823	NA	MeJP	NA	NA
+MJ059603	Talatizamine 	C24H39NO5	421.282823	NA	MeJP	NA	NA
+MJ059604	20-Hydroxyisoaflavinine 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059605	24,25-Dehydro-10,11-dihydroaflavinine; 20?-Hydroxy 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059606	24,25-Dehydro-10,11-dihydroaflavinine; 20?-Hydroxy 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059607	Aflavinine; 10,11-Dihydro, 11,12-didehydro, 20?-hydroxy 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059608	Aflavinine; 20?-Hydroxy 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059609	Aspernomine 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059610	Emindole DB 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059611	Paspaline 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059612	Radarin B; 7'-Ketone 	C28H39NO2	421.298079	NA	MeJP	NA	NA
+MJ059613	Calicogorgin C 	C25H43NO4	421.319208	NA	MeJP	NA	NA
+HMDB06318	Gamma-linolenyl carnitine	C25H43NO4	421.319214	NA	HMDB2010	NA	NA
+HMDB06319	Alpha-linolenyl carnitine	C25H43NO4	421.319214	NA	HMDB2010	NA	NA
+MJ059614	Agelasine 	C26H40N5(+)	421.320546	NA	MeJP	NA	NA
+MJ059615	Ageline A 	C26H40N5(+)	421.320546	NA	MeJP	NA	NA
+MJ059616	7-[3-[(2-Hydroxydecyl)amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid 	C26H47NO3	421.355594	NA	MeJP	NA	NA
+MJ059617	Tetrabromo-1,4-benzenediol 	C6H2Br4O2	421.678829	NA	MeJP	NA	NA
+MJ059618	Triiodoacetaldehyde 	C2HI3O	421.716144	NA	MeJP	NA	NA
+C18103	1,2,3,4,6,7,8-Heptachlorodibenzodioxin	C12HCl7O2	421.7796	NA	KEGG	NA	NA
+MJ059619	2,3-Dibromo-4-(3-bromo-2-nitrophenyl)-1H-pyrrole 	C10H5Br3N2O2	421.790115	NA	MeJP	NA	NA
+MJ059620	2,3-Dibromo-4-(5-bromo-2-nitrophenyl)-1H-pyrrole 	C10H5Br3N2O2	421.790115	NA	MeJP	NA	NA
+MJ059621	2,5,6-Tribromo-N-methylgramine 	C12H13Br3N2	421.862886	NA	MeJP	NA	NA
+C16860	2,5,6-Tribromo-1-methylgramine	C12H13Br3N2	421.8629	NA	KEGG	NA	NA
+MJ059622	Benzbromarone 	C17H12Br2O3	421.915319	NA	MeJP	NA	NA
+MJ059623	Diploicin 	C16H10Cl4O5	421.928234	NA	MeJP	NA	NA
+MJ059624	Obtusallene I 	C15H17Br2ClO2	421.928382	NA	MeJP	NA	NA
+MJ059625	Dysamide A; 3''-Dechloro, 1',3-didehydro(E-) 	C14H19Cl5N2O2	421.988916	NA	MeJP	NA	NA
+MJ059626	Dysamide A; 3''-Dechloro, 1',3-didehydro(Z-) 	C14H19Cl5N2O2	421.988916	NA	MeJP	NA	NA
+MJ059627	Dysamide A; 3'-Dechloro, 1',3-didehydro 	C14H19Cl5N2O2	421.988916	NA	MeJP	NA	NA
+MJ059628	Bermudenynol; Ac 	C17H21BrCl2O3	422.005112	NA	MeJP	NA	NA
+C11727	Chloramphenicol succinate	C15H16Cl2N2O8	422.0284	NA	KEGG	NA	NA
+MJ059629	Omoconazole 	C20H17Cl3N2O2	422.03556	NA	MeJP	NA	NA
+MJ059630	Carpetimycin A; O-Sulfate 	C14H18N2O9S2	422.045371	NA	MeJP	NA	NA
+MJ059631	1-O-p-Coumaroylglucose; ?-D-form, 3'-Hydroxy, 6-O-sulfate 	C15H18O12S	422.051896	NA	MeJP	NA	NA
+C13967	Carbenicillin sodium	C17H16N2O6S	422.0524	NA	KEGG	NA	NA
+MJ059632	Cycloleucomelone; 2,8-Di-Ac 	C22H14O9	422.063782	NA	MeJP	NA	NA
+MJ059633	Preussomerin A; 3'?-Acetoxy, 2',3'-dihydro, 1,1'-diketone 	C22H14O9	422.063782	NA	MeJP	NA	NA
+MJ059634	?,?-Trehalose; 2-Sulfate 	C12H22O14S	422.073026	NA	MeJP	NA	NA
+C00689	alpha,alpha'-Trehalose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C02591	Sucrose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C02995	Maltose 6'-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C04534	6-Phospho-beta-D-glucosyl-(1,4)-D-glucose	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C05396	Lactose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C16688	Sucrose-6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+C16689	poly-cis-Polyprenyl diphosphate longer by one C5 unit	C11H22O7P2	422.0825	NA	KEGG	NA	NA
+C16690	5-L-Glutamyl-D-glutamyl-peptide	C10H16N3O6R	422.0825	NA	KEGG	NA	NA
+C16691	DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine	C10H16N5O8P	422.0825	NA	KEGG	NA	NA
+C18050	beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+MJ059635	1,1'-Di-myo-inosityl phosphate 	C12H23O14P	422.082541	NA	MeJP	NA	NA
+MJ059636	alpha,alpha'-Trehalose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+MJ059637	Lactose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+MJ059638	Maltose 6'-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+MJ059639	Sugar 1-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+MetaCyc03484	6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+MetaCyc03485	maltose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+MetaCyc03486	trehalose 6-phosphate [&alpha;,&alpha;-trehalose 6-phosphate;]	C12H23O14P1	422.082542	4484-88-2	metacyc	NA	NA
+MetaCyc03487	sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+MetaCyc03488	lactose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+MetaCyc03489	6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB01124	HMDB	NA	NA
+HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB06789	HMDB	NA	NA
+HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	HMDB01124	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	HMDB06789	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+C10077	Mangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+C10089	Norswertianolin	C19H18O11	422.0849	NA	KEGG	NA	NA
+C10095	Tripteroside	C19H18O11	422.0849	NA	KEGG	NA	NA
+C16979	Isomangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+MJ059640	1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059641	1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059642	1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059643	1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059644	1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059645	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059646	Chrysograyanone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059647	Dilatatin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059648	Isomangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059649	Mangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059650	Nigricanside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+MJ059651	Melithiazoles; Melithiazole M 	C19H22N2O5S2	422.097013	NA	MeJP	NA	NA
+FLIFHVNF0001	Villosone	C23H18O8	422.10016	65160-16-9	knapsack	NA	NA
+FLIHFCNF0001	Thonningine A	C23H18O8	422.10016	86989-16-4	knapsack	NA	NA
+MJ059652	Amorphigenin; 6a,12a-Didehydro, 6-oxo 	C23H18O8	422.100167	NA	MeJP	NA	NA
+MJ059653	Antibiotic A 35566B; 4'-Ketone 	C23H18O8	422.100167	NA	MeJP	NA	NA
+MJ059654	Diphyllin; Ac 	C23H18O8	422.100167	NA	MeJP	NA	NA
+MJ059655	Sumatrol; 6a,12a-Didehydro, 6-oxo 	C23H18O8	422.100167	NA	MeJP	NA	NA
+MJ059656	Tetracenomycin D3; Me ester, 3,8-di-Me ether 	C23H18O8	422.100167	NA	MeJP	NA	NA
+MJ059657	Thonningine A 	C23H18O8	422.100167	NA	MeJP	NA	NA
+MJ059658	?-Toxicarol; 7a,13a-Didehydro, 13-oxo 	C23H18O8	422.100167	NA	MeJP	NA	NA
+C12371	Tetracenomycin A2	C23H18O8	422.1002	NA	KEGG	NA	NA
+MJ059659	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N11-?-D-Xylopyranosyl 	C23H19ClN2O4	422.103334	NA	MeJP	NA	NA
+MJ059660	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N12-?-D-Xylopyranosyl 	C23H19ClN2O4	422.103334	NA	MeJP	NA	NA
+PJ001201	GCDE 	C14H22N4O9S	422.1108	NA	PeJP	NA	NA
+MJ059661	Divaricatic acid ; 3-Chloro 	C21H23ClO7	422.11323	NA	MeJP	NA	NA
+MJ059662	Eriodermic acid; 2'-Me ether, Me ester 	C21H23ClO7	422.11323	NA	MeJP	NA	NA
+MJ059663	Eriodermic acid; 2-Me ether, Me ester 	C21H23ClO7	422.11323	NA	MeJP	NA	NA
+MJ059664	Eriodermic acid; 4-Me ether, Me ester 	C21H23ClO7	422.11323	NA	MeJP	NA	NA
+MJ059665	8-Chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid 2-[1-oxo-3-(4-pyridinyl)propyl]hydrazide 	C22H19ClN4O3	422.114568	NA	MeJP	NA	NA
+MJ059666	Xylerythrin; 5-Me ether 	C27H18O5	422.115423	NA	MeJP	NA	NA
+FL1DHXCS0003	2',4',3,4,alpha-Pentahydroxydihydrochalcone 3'-C-xyloside	C20H22O10	422.12129	222159-59-3	knapsack	NA	NA
+FL63ACGS0001	Catechin 7-O-beta-D-xyloside	C20H22O10	422.12129	-	knapsack	NA	NA
+FL63ACGS0009	Catechin 5-O-beta-D-apiofuranoside	C20H22O10	422.12129	125322-89-6	knapsack	NA	NA
+FL63ACGS0013	Catechin 7-O-apiofuranoside	C20H22O10	422.12129	81905-13-7	knapsack	NA	NA
+FL63ACGS0014	Polydine	C20H22O10	422.12129	29289-02-9	knapsack	NA	NA
+FL63ACGS0015	Catechin 7-O-beta-D-xylopyranoside	C20H22O10	422.12129	42830-48-8	knapsack	NA	NA
+MJ059667	1,2,3,9-Dibenzofurantetrol; 1,3-Di-Me ether, 9-O-?-D-glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059668	2,4,4',6-Tetrahydroxybenzophenone; 4-Me ether, 2-O-?-D-glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059669	2,6-Dihydroxy-3-(2-hydroxybenzyl)benzoic acid; 2'-O-?-D-Glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059670	3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Xylopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059671	3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Apiofuranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059672	3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Apiofuranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059673	3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Xylopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059674	3,3',4',5,7-Pentahydroxyflavan, 7-O-?-L-Arabinofuranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059675	3,3',4',5,7-Pentahydroxyflavan, 7-O-?-L-Arabinopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059676	3,4-Dihydroxybenzyl alcohol; 1'-O-(4-Hydroxybenzoyl), 4-O-?-D-glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059677	3-(3,4-Dihydroxyphenyl)-1-(2,4-dihydroxy-3-?-D-xylopyranosyl)-2-hydroxy-1-propanone 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059678	3-Acetyl-5,7-dihydroxy-2-methyl-1,4-naphthoquinone; 7-Me ether, 5-O-?-D-glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059679	4-Hydroxybenzyl alcohol; ?-O-(3,4-Dihydroxybenzoyl), 4-O-?-D-glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059680	6-Acetyl-4,5-dihydroxy-7-methyl-2-naphthalenecarboxylic acid; 4-O-?-D-Glucopyranoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059681	Benzyl glucopyranoside; ?-D-form, 6-O-(3,4,5-Trihydroxybenzoyl) 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059682	Lecanoric acid; Erythritol ester 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059683	Odontoside; 3-Deoxy 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059684	Plataplatanoside 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059685	Plicatic acid 	C20H22O10	422.121296	NA	MeJP	NA	NA
+MJ059686	Salicin; 1''-O-(2,6-Dihydroxybenzoyl) 	C20H22O10	422.121296	NA	MeJP	NA	NA
+C09617	Catechin 7-O-beta-D-xyloside	C20H22O10	422.1213	NA	KEGG	NA	NA
+C10873	Plicatic acid	C20H22O10	422.1213	NA	KEGG	NA	NA
+C10980	Bifenthrin	C23H22ClF3O2	422.126	NA	KEGG	NA	NA
+PJ001202	CDW 	C18H22N4O6S	422.126	NA	PeJP	NA	NA
+PJ001203	SSDD 	C14H22N4O11	422.1285	NA	PeJP	NA	NA
+PJ001204	PTCC 	C15H26N4O6S2	422.1294	NA	PeJP	NA	NA
+MJ059687	Osmadizone 	C23H22N2O4S	422.130027	NA	MeJP	NA	NA
+MJ059688	Cystothiazole A 	C20H26N2O4S2	422.133398	NA	MeJP	NA	NA
+MJ059689	Melithiazoles; Melithiazole B, 11?,12-Dihydro 	C20H26N2O4S2	422.133398	NA	MeJP	NA	NA
+C15696	Melithiazol A	C20H26N2O4S2	422.1334	NA	KEGG	NA	NA
+C15712	Melithiazole E	C20H26N2O4S2	422.1334	NA	KEGG	NA	NA
+FL2FA9NR0003	Lepidissipyrone	C24H22O7	422.13655	122585-68-6	knapsack	NA	NA
+FL3FA9NC0003	Enantiomultijugin;(7aR,10S,10aS)-rel-(-)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C24H22O7	422.13655	145264-18-2	knapsack	NA	NA
+FL3FA9NF0003	Multijugin;(7aR,10S,10aS)-rel-(+)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one	C24H22O7	422.13655	58276-82-7	knapsack	NA	NA
+MJ059690	?-Indomycinone; 17,18-Dihydro, 18-hydroxy 	C24H22O7	422.136553	NA	MeJP	NA	NA
+MJ059691	Multijuginol, Ac 	C24H22O7	422.136553	NA	MeJP	NA	NA
+MJ059692	Obtusifolin 	C24H22O7	422.136553	NA	MeJP	NA	NA
+C11644	Lamiide	C17H26O12	422.1424	NA	KEGG	NA	NA
+C11660	10-Hydroxymorroniside	C17H26O12	422.1424	NA	KEGG	NA	NA
+MJ059693	Adoxosidic acid; 5?,6?-Dihydroxy, Me ester 	C17H26O12	422.142426	NA	MeJP	NA	NA
+MJ059694	Clandonoside II 	C17H26O12	422.142426	NA	MeJP	NA	NA
+MJ059695	Ipolamiide; 6?-Hydroxy 	C17H26O12	422.142426	NA	MeJP	NA	NA
+MJ059696	Lamalbide 	C17H26O12	422.142426	NA	MeJP	NA	NA
+MJ059697	Lamiide 	C17H26O12	422.142426	NA	MeJP	NA	NA
+MJ059698	Nyctanthoside 	C17H26O12	422.142426	NA	MeJP	NA	NA
+MJ059699	Pulchelloside I 	C17H26O12	422.142426	NA	MeJP	NA	NA
+C15155	9-Bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione	C22H31BrO3	422.1457	NA	KEGG	NA	NA
+PJ001205	GSEM 	C15H26N4O8S	422.1472	NA	PeJP	NA	NA
+MJ059700	Hypecumine 	C23H22N2O6	422.147786	NA	MeJP	NA	NA
+MJ059701	Kopsinitarine A 	C23H22N2O6	422.147786	NA	MeJP	NA	NA
+MJ059702	Izonsteride 	C24H26N2OS2	422.148654	NA	MeJP	NA	NA
+MJ059703	Isoplagiochin A 	C28H22O4	422.151809	NA	MeJP	NA	NA
+MJ059704	Isoplagiochin C 	C28H22O4	422.151809	NA	MeJP	NA	NA
+MJ059705	Planusin A 	C28H22O4	422.151809	NA	MeJP	NA	NA
+MJ059706	Ptychantol A 	C28H22O4	422.151809	NA	MeJP	NA	NA
+MJ059707	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059708	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059709	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059710	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(Methylpropenoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059711	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059712	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059713	1,4-Epoxy-8,10,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059714	1,8,9-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,10:12,6-diolide, 8-(2-Methylpropenoyl), 9-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059715	15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro, 15-O-?-D-glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059716	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059717	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 2,8,9-Tri-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059718	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 15-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059719	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 3-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059720	3,4-Dihydro-1,3-dimethyl-1H-naphtho[2,3-c]pyran-7,9,10-triol, 9-O-?-D-Glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059721	3-(1,1-Dimethyl-2-propenyl)-6,7-dihydroxy-2H-1-benzopyran-2-one; 6-Me ether, 7-O-?-D-glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059722	3-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 11,13-Didehydro, 3-O-?-D-glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059723	4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, Tri-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059724	4,5-Epoxy-8,9,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059725	4,9-Dihydroxy-7H-furo[3,2-g][1]benzopyran-7-one; Bis-O-(2,3-dihydroxy-3-methylbutyl) 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059726	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, lactone, 14-?-D-glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059727	6,8,9,13-Tetrahydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059728	8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-(2-Methylpropenoyl), 9-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059729	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-O-?-D-Glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059730	Juniperin; 8-O-Deangeloyl, 8-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059731	Polyandrol; 5-Epimer, 15-Ac 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059732	Pterolactone B; 12-Deoxy, 10-O-?-D-glucopyranoside 	C21H26O9	422.157682	NA	MeJP	NA	NA
+MJ059733	Thaxtomin A; 3''-Deoxy 	C22H22N4O5	422.159019	NA	MeJP	NA	NA
+MJ059734	Losartan 	C22H23ClN6O	422.162187	NA	MeJP	NA	NA
+C07072	Losartan	C22H23ClN6O	422.1622	NA	KEGG	NA	NA
+PJ001206	SMW 	C19H26N4O5S	422.1624	NA	PeJP	NA	NA
+MJ059735	Ochrindole D 	C27H22N2O3	422.163042	NA	MeJP	NA	NA
+PJ001207	SSTE 	C15H26N4O10	422.1649	NA	PeJP	NA	NA
+PJ001208	AAMM 	C16H30N4O5S2	422.1658	NA	PeJP	NA	NA
+MJ059736	17-(Cyclopropylmethyl)-4,5-epoxy-7-isothiocyanato-6-methoxy-6,14-ethenomorphinan-3-ol 	C24H26N2O3S	422.166413	NA	MeJP	NA	NA
+MJ059737	Opanixil 	C19H21F3N6O2	422.167808	NA	MeJP	NA	NA
+FL1AACNI0001	Antiarone A	C25H26O6	422.17293	128883-66-9	knapsack	NA	NA
+FL1AACNI0002	Antiarone B	C25H26O6	422.17293	128864-27-7	knapsack	NA	NA
+FL1C28NP0002	Flemingin C	C25H26O6	422.17293	18296-60-1	knapsack	NA	NA
+FL1C28NP0003	Flemingin B	C25H26O6	422.17293	18361-42-7	knapsack	NA	NA
+FL1C2ANP0002	Flemingin E	C25H26O6	422.17293	50886-59-4	knapsack	NA	NA
+FL1C2ANP0003	Flemingin F	C25H26O6	422.17293	50886-58-3	knapsack	NA	NA
+FL1CA8NP0002	Flemiwallichin B	C25H26O6	422.17293	58264-34-9	knapsack	NA	NA
+FL1CA8NP0003	Flemiwallichin A	C25H26O6	422.17293	58264-33-8	knapsack	NA	NA
+FL2FA8NP0002	Orotinin	C25H26O6	422.17293	108864-16-0	knapsack	NA	NA
+FL2FAANF0004	Lupinenol	C25H26O6	422.17293	162616-69-5	knapsack	NA	NA
+FL2FAANP0016	2''',3'''-Epoxylupinifolin;2'',3''-Epoxylupinifolin;(2S)-5,4'-Dihydroxy-8-(2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O6	422.17293	193485-23-3	knapsack	NA	NA
+FL2FAANP0017	Dereticulatin;5,4'-Dihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O6	422.17293	193551-72-3	knapsack	NA	NA
+FL2FACNP0004	Sigmoidin F	C25H26O6	422.17293	126005-97-8	knapsack	NA	NA
+FL2FACNP0008	Dorsmanin I;(2S)-5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O6	422.17293	329703-46-0	knapsack	NA	NA
+FL2FALNP0003	Euchrestaflavanone C	C25H26O6	422.17293	91878-51-2	knapsack	NA	NA
+FL2FALNP0004	Cudraflavanone A	C25H26O6	422.17293	87402-92-4	knapsack	NA	NA
+FL2FALNP0006	Flemichin D	C25H26O6	422.17293	57096-07-8	knapsack	NA	NA
+FL2FALNP0009	Kuwanon F	C25H26O6	422.17293	71344-07-5	knapsack	NA	NA
+FL2FALNP0010	Sanggenon I	C25H26O6	422.17293	86450-79-5	knapsack	NA	NA
+FL2FALNP0011	Sanggenon N	C25H26O6	422.17293	92280-12-1	knapsack	NA	NA
+FL2FALNP0012	Kuwanol C	C25H26O6	422.17293	123702-94-3	knapsack	NA	NA
+FL2FALNP0013	Euchrenone a9	C25H26O6	422.17293	130289-27-9	knapsack	NA	NA
+FL2FALNP0021	Sanggenol N;(2S)-5,7,2'-Trihydroxy-5'-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone	C25H26O6	422.17293	426211-26-9	knapsack	NA	NA
+FL2FALNP0022	Sanggenol L;5,2'.4'-Trihydroxy-6''-methyl-6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone	C25H26O6	422.17293	329319-20-2	knapsack	NA	NA
+FL2FALNR0001	Kuwanon D	C25H26O6	422.17293	67172-84-3	knapsack	NA	NA
+FL3FAANI0009	Yinyanghuo B;(-)-5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-5-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one	C25H26O6	422.17293	174286-24-9	knapsack	NA	NA
+FL3FACNI0004	Epimedokoreanin B;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	161068-53-7	knapsack	NA	NA
+FL3FALNI0005	Albanin E	C25H26O6	422.17293	134955-27-4	knapsack	NA	NA
+FL3FALNI0006	Mulberrin;Kuwanon C;Norartocarpin;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	62949-79-5	knapsack	NA	NA
+FL3FALNI0007	Kuwanon T;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	100187-66-4	knapsack	NA	NA
+FL3FALNI0013	Cudraflavone C;2',4',5,7-Tetrahydroxy-3,6-bis(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	19275-47-9	knapsack	NA	NA
+FL3FALNI0015	Cudraflavone D;2-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	130335-49-8	knapsack	NA	NA
+FL4DA8NP0001	Jayacanol;(3R)-3-Hydroxyminimiflorin;3,5,2'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O6	422.17293	259812-81-2	knapsack	NA	NA
+FL4DAANP0003	Lupinifolinol	C25H26O6	422.17293	55890-28-3	knapsack	NA	NA
+FL5FAANI0003	Macarangin;(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	129385-65-5	knapsack	NA	NA
+FL5FAANI0008	Glyasperin A;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	142474-52-0	knapsack	NA	NA
+FL5FAANI0009	Broussoflavonol F;3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	162558-94-3	knapsack	NA	NA
+FL5FAANI0010	Isomacarangin;8-[(2Z)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	229470-28-4	knapsack	NA	NA
+FL5FAANI0011	3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O6	422.17293	54013-24-0	knapsack	NA	NA
+FLIAAANF0004	Lupinisoflavone G	C25H26O6	422.17293	121747-91-9	knapsack	NA	NA
+FLIAAANF0005	Senegalensin	C25H26O6	422.17293	139051-61-9	knapsack	NA	NA
+FLIAAANF0007	Euchrenone b10;8-Prenylerythrinin C	C25H26O6	422.17293	130289-28-0	knapsack	NA	NA
+FLIAAANI0011	Lupinisol A	C25H26O6	422.17293	121747-99-7	knapsack	NA	NA
+FLIAAANP0010	Lupinisolone A	C25H26O6	422.17293	121747-96-4	knapsack	NA	NA
+FLIAAANP0015	Euchrenone b6	C25H26O6	422.17293	130170-02-4	knapsack	NA	NA
+FLIAAANP0017	Euchrenone b7	C25H26O6	422.17293	130170-03-5	knapsack	NA	NA
+FLIAACNI0002	6,8-Diprenylorobol;5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone	C25H26O6	422.17293	66777-70-6	knapsack	NA	NA
+FLIAACNI0005	Isoangustone A;5,7,3',4'-Tetrahydroxy-6,5'-diprenylisoflavone	C25H26O6	422.17293	129280-34-8	knapsack	NA	NA
+FLIAALNI0006	Angustone A;5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone	C25H26O6	422.17293	90686-13-8	knapsack	NA	NA
+FLIAALNI0011	Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone	C25H26O6	422.17293	124166-28-5	knapsack	NA	NA
+FLIAALNI0018	2'-Hydroxyisolupalbigenin;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavone	C25H26O6	422.17293	121747-94-2	knapsack	NA	NA
+FLIAALNI0019	8-Prenylluteone;5,7,2',4'-Tetrahydroxy-6,8-diprenylisoflavone	C25H26O6	422.17293	125002-91-7	knapsack	NA	NA
+FLIBALNP0004	Cajanone	C25H26O6	422.17293	63006-48-4	knapsack	NA	NA
+FLIBALNP0005	Lespedeol B	C25H26O6	422.17293	51581-04-5	knapsack	NA	NA
+FLIBALNP0007	2,3-Dihydroauriculatin;5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone	C25H26O6	422.17293	105594-10-3	knapsack	NA	NA
+FLNAA9NF0001	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one	C25H26O6	422.17293	30563-62-3	knapsack	NA	NA
+FLNAA9NF0002	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one;MAB3	C25H26O6	422.17293	30390-13-7	knapsack	NA	NA
+MJ059738	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059739	2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059740	2',4',5,7-Tetrahydroxy-3,3'-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059741	2',4',5,7-Tetrahydroxy-3,6-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059742	2',4',5,7-Tetrahydroxy-3,8-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059743	2',4',5,7-Tetrahydroxy-5',6-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059744	2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059745	2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(2-methyl-1-oxobutyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059746	2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059747	3',4',5,7-Tetrahydroxy-5',6-diprenylisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059748	3',4',5,7-Tetrahydroxy-5',8-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059749	3',4',5,7-Tetrahydroxy-5',8-diprenylisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059750	3',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059751	3'-(3,7-Dimethyl-2,6-octadienyl)-2',4',5',7-tetrahydroxyisoflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059752	3,4',5,7-Tetrahydroxy-3',6-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059753	3,4',5,7-Tetrahydroxy-3',8-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059754	3,4',5,7-Tetrahydroxy-6,8-diprenylflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059755	4',5,7-Trihydroxy-3',6-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059756	4',5,7-Trihydroxy-3',6-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059757	4',5,7-Trihydroxy-6,8-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059758	5,7-Dihydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059759	8-Geranyl-2',4',5,7-tetrahydroxyflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059760	8-Geranyl-3,4',5,7-tetrahydroxyflavone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059761	Albanin E 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059762	Antiarone A 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059763	Antiarone B 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059764	Arugosin E 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059765	Auriculatin; 2,3-Dihydro 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059766	Brosimone G; 2,3-Dihydro 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059767	Cajanone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059768	Caloxanthone A; 8,9-Di-Me ether 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059769	Chapelieric acid 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059770	Cudraflavanone A 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059771	Cudraflavone B; 6,7-Dihydro 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059772	Cyclomammeisin 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059773	Eriosemaone B 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059774	Eryvarin B 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059775	Euchrenone a9 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059776	Euchrenone b10 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059777	Euchrenone b7 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059778	Euchrestaflavanone C 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059779	Flemingin A; 5''-Hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059780	Flemingin A; 6''-Hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059781	Flemingin D; ?2''-Isomer, 4''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059782	Flemingin D; ?4''-Isomer, 3''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059783	Flemiwallichin A 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059784	Fremontone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059785	Glyasperin J 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059786	Jayacanol 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059787	Kayeaxanthone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059788	Kuwanol C 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059789	Kuwanon D 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059790	Kuwanon F 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059791	Lespedol B 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059792	Lonchocarpol C; 1'',2''-Didehydro 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059793	Lupinifolin, 2'-Hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059794	Lupinifolin, 2''',3'''-Epoxide 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059795	Lupinifolin, 2'-Hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059796	Lupinifolin, 3'-Hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059797	Lupinifolin, ?3'''-Isomer, 2'''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059798	Lupinifolinol 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059799	Lupinisoflavone G 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059800	Lupinisolone A 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059801	Lupinisolone B; 5'-Deoxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059802	Lupinol A 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059803	MAB 3 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059804	Macarangin 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059805	Mammea A/AB; ?3'-Isomer, 2'-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059806	Mammea A/BA; ?3'-Isomer, 2'-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059807	Mammea A/BB; ?3'-Isomer, 2'-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059808	Mammeisin; ?3'-Isomer, 2'-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059809	Orotinin 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059810	Ploiariquinone A; 3',4'-Dihydro, 4'-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059811	Sanggenon I 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059812	Sanggenon N 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059813	Scandenone; 2''',3'''-Dihydro, 3'''-hydroxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059814	Senegalensin 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059815	Shanciol A; 3'-Demethoxy 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059816	Sigmoidin F 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059817	Tajixanthone 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059818	Terphenyllin; 3''-Hydroxy, 4''-O-(3-methyl-2-butenyl) 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059819	Ugonin A 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MJ059820	Yinyanghuo B 	C25H26O6	422.172938	NA	MeJP	NA	NA
+MetaCyc03490	rotenone []	C25H26O6	422.172939	NA	metacyc	NA	NA
+PJ001209	GSPY 	C19H26N4O7	422.1802	NA	PeJP	NA	NA
+PJ001210	ATTM 	C16H30N4O7S	422.1835	NA	PeJP	NA	NA
+MJ059821	Arenine, Me ether, N-oxide(?-) 	C24H26N2O5	422.184171	NA	MeJP	NA	NA
+MJ059822	Arenine, Me ether, N-oxide(?-) 	C24H26N2O5	422.184171	NA	MeJP	NA	NA
+MJ059823	Ascofuranol 	C23H31ClO5	422.186001	NA	MeJP	NA	NA
+MJ059824	Enkastine; Enkastine 4 	C17H30N2O10	422.190045	NA	MeJP	NA	NA
+MJ059825	1,10-Epoxy-6,8-dihydroxy-7(11)-eremophilen-12,8-olide, 8-Et ether, 6-[2-(1-hydroxyethoxy)-2-propenoyl] 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059826	1,3,8,15-Tetrahydroxy-4,9,11(13)-germacratrien-12,6-olide, 8-(2S-Methylbutanoyl), 3-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059827	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059828	1,8-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059829	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059830	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?-Hydroxy, 3-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059831	15,16-Epoxy-6,8,9,17,20-pentahydroxy-13(16),14-labdadien-19-oic acid, 19?20 Lactone, 6-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059832	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 6-(2-methylbutanoyl), 9-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059833	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl, 6-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059834	2,6,8-Trihydroxy-4-oxo-11(13)-pseudoguaien-12,9-olide, 6-(2-Methylbutanoyl), 8-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059835	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-(2-Methylbutanoyl), 2-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059836	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 9-(3-Methylbutanoyl), 2-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059837	3,10-Epoxy-1,3,8-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 1-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059838	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5,5'-Tetra-Me ether 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059839	3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 3-Me ether, 8-(2-methylpropenoyl), 10-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059840	3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl, 10-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059841	3,8,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 4?,5-Dihydro, 8-angeloyl, 10-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059842	3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 9-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059843	4,10:15,16-Diepoxy-3,6,18,19-tetrahydroxy-13(16),14-clerodadien-7-one, 19-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059844	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 19-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059845	4,18:15,16-Diepoxy-3,6,10,19-tetrahydroxy-13(16),14-clerodadien-7-one, 19-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059846	4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl, 13-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059847	4,9,12,13,16,20-Hexahydroxy-1,6-tigliadien-3-one, 13-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059848	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-(2-O-Acetyl-?-L-arabinopyranoside) 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059849	5,11-Epoxy-2,4,13-trihydroxy-12,8-guaianolide, 2-Angeloyl, 13-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059850	6,8,15-Trihydroxy-1,3,11(13)-elematrien-12-oic acid, 8-(2-Acetoxymethylpropenoyl), Me ester 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059851	7,20-Epoxy-1,6,7,11,19-pentahydroxy-16-kauren-15-one, 19-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059852	7,20-Epoxy-1,6,7,14,19-pentahydroxy-16-kauren-15-one, 19-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059853	7,20-Epoxy-16-kaurene-1,3,6,7,15,19-hexol, 15-Ketone, 19-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059854	8,14,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(3-Hydroxy-2-methylbutanoyl), 8-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059855	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059856	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059857	8,9,10-Trihydroxy-1-oxo-3,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059858	8,9,10-Trihydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059859	8,9,14,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-Ac, 8-(2-methylbutanoyl) 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059860	Leocardin 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059861	Nigakilactone H; 12-De-Me, 11,12-methylene ether 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059862	Valtrate 	C22H30O8	422.194067	NA	MeJP	NA	NA
+MJ059863	p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7-(2-Methylbutanoyl), 9-angeloyl, 10-Ac 	C22H30O8	422.194067	NA	MeJP	NA	NA
+C09801	Valtratum	C22H30O8	422.1941	NA	KEGG	NA	NA
+C16809	Isovaltrate	C22H30O8	422.1941	NA	KEGG	NA	NA
+C17053	Picrasin F	C22H30O8	422.1941	NA	KEGG	NA	NA
+PJ001211	AFW 	C23H26N4O4	422.1954	NA	PeJP	NA	NA
+PJ001212	TTTT 	C16H30N4O9	422.2013	NA	PeJP	NA	NA
+C02010	Blasticidin S	C17H26N8O5	422.2026	NA	KEGG	NA	NA
+C02011	C3 convertase	C17H26N8O5	422.2026	NA	KEGG	NA	NA
+C02012	Catecholamine	C8H9NO2R2	422.2026	NA	KEGG	NA	NA
+MJ059864	Antibiotic A 221 	C17H26N8O5	422.202615	NA	MeJP	NA	NA
+MJ059865	Blasticidin S 	C17H26N8O5	422.202615	NA	MeJP	NA	NA
+MJ059866	Isoblasticidin S 	C17H26N8O5	422.202615	NA	MeJP	NA	NA
+MJ059867	N2-[[[5-(1,6-Dihydro-6-oxo-9H-purin-9-yl)pentyl]oxy]carbonyl]arginine 	C17H26N8O5	422.202615	NA	MeJP	NA	NA
+MetaCyc03491	blasticidin-S []	C17H26N8O5	422.202616	2079-00-7	metacyc	NA	NA
+8149	peptide derived from bovine k-casein (28-30)	IQY	422.205	ACE inhibitor	Inhouse_peptide	NA	peptide
+8180	peptide derived from bovine k-casein (28-30)	IQY	422.205	antibacterial	Inhouse_peptide	NA	peptide
+8267	f(28-30) of bovine kappa casein	IQY	422.205	NA  ;SYN:(-)-2-Pyrrolidone-5-carboxylate; (-)-2-Pyrrolidone-5-carboxylic acid; (-)-Pyroglutamate; (-)-Pyroglutamic acid; (5S)-2-Oxopyrrolidine-5-carboxylate; (5S)-2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylate; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; (S)-(-)-g-Butyrolactam-g-carboxylate; (S)-(-)-g-Butyrolactam-g-carboxylic acid; (S)-2-Pyrrolidone-5-carboxylate; (S)-2-Pyrrolidone-5-carboxylic acid; (S)-5-Oxo-2-pyrrolidinecarboxylate; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (S)-Pyroglutamate; (S)-Pyroglutamic acid; 2-L-Pyrrolidone-5-carboxylate; 2-L-Pyrrolidone-5-carboxylic acid; 2-Oxopyrrolidine-5(S)-carboxylate; 2-Oxopyrrolidine-5(S)-carboxylic acid; 2-Pyrrolidinone-5-carboxylate; 2-Pyrrolidinone-5-carboxylic acid; 5-Carboxy-2-pyrrolidinone; 5-Oxo-L-proline; 5-L-oxoproline; 5-Oxoproline; 5-Pyrrolidinone-2-carboxylate; 5-Pyrrolidinone-2-carboxylic acid; Ajidew A 100; Glutimate; Glutimic acid; Glutiminate; Glutiminic acid; L-2-Pyrrolidone-5-carboxylate; L-2-Pyrrolidone-5-carboxylic acid; L-5-Carboxy-2-pyrrolidinone; L-5-Oxo-2-pyrrolidinecarboxylate; L-5-Oxo-2-pyrrolidinecarboxylic acid; L-5-Oxoproline; L-Glutamic acid g-lactam; L-Glutimate; L-Glutimic acid; L-Glutiminate; L-Glutiminic acid; L-Pyroglutamate; L-Pyroglutamic acid; L-Pyrrolidinonecarboxylate; L-Pyrrolidinonecarboxylic acid; L-Pyrrolidonecarboxylate; L-Pyrrolidonecarboxylic acid; Oxoproline; Oxopyrrolidinecarboxylate; Oxopyrrolidinecarboxylic acid; Pidolate; Pidolic acid; Pidolidone; Pyroglutamate; Pyroglutamic acid; Pyrrolidinonecarboxylate; Pyrrolidinonecarboxylic acid; Pyrrolidone-5-carboxylate; Pyrrolidone-5-carboxylic acid; Pyrrolidonecarboxylic acid; (S)-(-)-gamma-Butyrolactam-gamma-carboxylate; (S)-(-)-gamma-Butyrolactam-gamma-carboxylic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ059868	Lincomycin; S-Oxide 	C18H34N2O7S	422.208672	NA	MeJP	NA	NA
+FL1C1ANI0034	Xanthoangelol G;3'-(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl)-4,2'-dihydroxy-4'-methoxychalcone	C26H30O5	422.20932	265652-88-8	knapsack	NA	NA
+FL1C28NI0001	5-Deoxyhomoflemingin	C26H30O5	422.20932	25146-22-9	knapsack	NA	NA
+FL1CA9NF0005	(-)-Linderol A;Linderol A	C26H30O5	422.20932	166983-85-3	knapsack	NA	NA
+FL1CBANI0003	5'-Prenylxanthohumol;3',5'-Diprenyl-4,2',4'-trihydroxy-6-methoxychalcone	C26H30O5	422.20932	189299-04-5	knapsack	NA	NA
+FL1DQUNP0002	4-Hydroxyglenoblone	C26H30O5	422.20932	104406-78-2	knapsack	NA	NA
+FL2F1LNI0003	Euchrenone a8	C26H30O5	422.20932	130252-51-6	knapsack	NA	NA
+FL2F1LNI0004	Alopecurone G;7,4'-Dihydroxy-8-lavandulyl-2'-methoxyflavanone	C26H30O5	422.20932	162558-93-2	knapsack	NA	NA
+FL2FA8NI0007	Kushenol R;(2S)-7,2'-Dihydroxy-8-lavandulyl-5-methoxyflavanone	C26H30O5	422.20932	254886-71-0	knapsack	NA	NA
+FL2FABNI0001	5,7-Dihydroxy-4'-methoxy-8,3'-di-C-prenylflavanone;Nimbaflavone	C26H30O5	422.20932	93772-44-2	knapsack	NA	NA
+FL2FABNI0008	Abyssinone V 4'-methyl ether;5,7-Dihydroxy-4'-methoxy-3',5'-diprenylflavanone	C26H30O5	422.20932	201480-12-8	knapsack	NA	NA
+FL2FBANI0002	Kushenol U;(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone	C26H30O5	422.20932	254886-74-3	knapsack	NA	NA
+FLIC1LNP0012	Nitidulin	C26H30O5	422.20932	66446-87-5	knapsack	NA	NA
+FLIDBANI0003	1-Methoxyficifolinol;3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan	C26H30O5	422.20932	129280-35-9	knapsack	NA	NA
+MJ059869	1,1'-[Oxybis[ethylidene(6-hydroxy-3,1-phenylene)]]bis[3-methyl-2-buten-1-one] 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059870	1,3,9-Trihydroxy-2,8-diprenylpterocarpan; 1-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059871	2',4',7-Trihydroxy-5',8-diprenylflavanone, 4'-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059872	2',4',7-Trihydroxy-8-lavandulylflavanone, 2'-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059873	2',4,4',6'-Tetrahydroxy-3',5'-diprenylchalcone, 6'-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059874	3'-(3,7-Dimethyl-2,6-octadienyl)-2',4,4'-trihydroxychalcone, ?7''-Isomer, 6''?-hydroxy, 4'-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059875	3,6a,9-Trihydroxy-2,10-diprenylpterocarpan; 9-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059876	4',5,7-Trihydroxy-3',5'-diprenylflavanone, 4'-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059877	4',5,7-Trihydroxy-3',8-diprenylflavanone, 4'-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059878	4',5,7-Trihydroxy-6,8-diprenylflavanone, 7-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059879	4',5,7-Trihydroxy-8-lavandulylflavanone, 5-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059880	Cedrelone 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059881	Cordiaquinone C; 2,3-Epoxide 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059882	Ferprenin; 12'-Acetoxy 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059883	Ferprenin; 15'-Acetoxy 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059884	Grenoblone; 4''-Hydroxy 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059885	Homoflemingin; 5-Deoxy 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059886	Kanzonol J 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059887	Kushenol A; 5-Me ether 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059888	Linderol A 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059889	Nassauviachromone; 12-Carboxylic acid, Me ester 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MJ059890	Nitidulin 	C26H30O5	422.209324	NA	MeJP	NA	NA
+MetaCyc03492	5'-prenylxanthohumol []	C26H30O5	422.209324	NA	metacyc	NA	NA
+MJ059891	Fludrocortisone; 21-Ac 	C23H31FO6	422.210466	NA	MeJP	NA	NA
+C08186	Fludrocortisone acetate	C23H31FO6	422.2105	NA	KEGG	NA	NA
+C15256	6alpha-Fluoro-17-hydroxycorticosterone 21-acetate	C23H31FO6	422.2105	NA	KEGG	NA	NA
+MJ059892	1-Octen-3-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H34O10	422.215197	NA	MeJP	NA	NA
+MJ059893	1-Octen-3-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H34O10	422.215197	NA	MeJP	NA	NA
+C17614	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside	C19H34O10	422.2152	NA	KEGG	NA	NA
+PJ001213	LQY 	C20H30N4O6	422.2165	NA	PeJP	NA	NA
+MJ059894	Antibiotic TMC 52; Antibiotic TMC 52A 	C20H30N4O6	422.216534	NA	MeJP	NA	NA
+MJ059895	Antibiotic TMC 52; Antibiotic TMC 52B 	C20H30N4O6	422.216534	NA	MeJP	NA	NA
+MJ059896	Antibiotic WF 14861A 	C20H30N4O6	422.216534	NA	MeJP	NA	NA
+MJ059897	Aspergillus oryzae Cysteine protease inhibitors; CPI 1 	C20H30N4O6	422.216534	NA	MeJP	NA	NA
+MJ059898	HC Toxin II 	C20H30N4O6	422.216534	NA	MeJP	NA	NA
+PJ001214	GALY 	C20H30N4O6	422.2166	NA	PeJP	NA	NA
+MJ059899	N-(N-L-Arginyl-D-allothreonyl)-L-phenylalanine 	C19H30N6O5	422.227768	NA	MeJP	NA	NA
+PJ001215	TFR 	C19H30N6O5	422.2278	NA	PeJP	NA	NA
+MJ059900	1,7,11,14-Tetrahydroxy-8,15-isopimaradien-18-oic acid, 7-Ac, Me ester 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059901	3,5,11,14,19-Pentahydroxycard-20(22)-enolide 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059902	3,8,10-Trihydroxy-1-oxo-11(13)-germacren-12,6-olide, 3-O-Isopropyl, 8-angeloyl 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059903	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059904	3,8,12,14,20-Pentahydroxypregn-5-en-1-one, 12-Ac 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059905	4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 1-(2-Hydroxyoctanoyl) 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059906	7,15-Dihydroxy-3-cleroden-18,19-olide, 15-O-Malonyl 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059907	7,20-Epoxy-6,7,11,17-tetrahydroxy-15-kauranone, 17-Me ether, 11-Ac 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059908	Brassicene C; 11?-Hydroxy, 12?-acetoxy 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059909	Dysodanthin E; 6-Me ether 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059910	Nodusmicin 	C23H34O7	422.230453	NA	MeJP	NA	NA
+MJ059911	Picrasin C 	C23H34O7	422.230453	NA	MeJP	NA	NA
+C08776	Picrasin C	C23H34O7	422.2305	NA	KEGG	NA	NA
+C07874	1,4-Bis(2-ethylhexyl) sulfosuccinate	C20H38O7S	422.2338	NA	KEGG	NA	NA
+MJ059912	1,4-Bis(2-ethylhexyl) sulfosuccinate 	C20H38O7S	422.233824	NA	MeJP	NA	NA
+3769	dipeptidyl carboxypeptidase inhibitor	PPLP	422.24	ACE inhibitor	Inhouse_peptide	NA	peptide
+7656	ACE inhibitor from wakame	IYK	422.241	antioxidative	Inhouse_peptide	NA	peptide
+8229	ACE inhibitor	IKY	422.241	NA  ;SYN:(2S)-2-Aminopropanoate; (2S)-2-Aminopropanoic acid; (S)-(+)-Alanine; (S)-2-Aminopropanoate; (S)-2-Aminopropanoic acid; (S)-2-amino-Propanoate; (S)-2-amino-Propanoic acid; (S)-Alanine; 2-Aminopropanoate; 2-Aminopropanoic acid; 2-Aminopropionate; 2-Aminopropionic acid; 2-Ammoniopropanoate; Ala; Alanine; L-(+)-Alanine; L-2-Aminopropanoate; L-2-Aminopropanoic acid; L-2-Aminopropionate; L-2-Aminopropionic acid; L-a-Alanine; L-a-Aminopropionate; L-a-Aminopropionic acid; a-Alanine; a-Aminopropionate; a-Aminopropionic acid; alpha-Aminopropanoate; alpha-Aminopropanoic acid; L-alpha-Alanine; L-alpha-Aminopropionate; L-alpha-Aminopropionic acid; alpha-Alanine; alpha-Aminopropionate; alpha-Aminopropionic acid; 2-Ammoniopropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ059913	Antibiotic PM 94128 	C22H34N2O6	422.241686	NA	MeJP	NA	NA
+MJ059914	Baciphelacin 	C22H34N2O6	422.241686	NA	MeJP	NA	NA
+C15061	2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol	C27H34O4	422.2457	NA	KEGG	NA	NA
+MJ059915	15-Hydroxy-16-kauren-19-oic acid, Benzoyl 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059916	2,3-Dihydroxy-23,24,29-trinor-1,3,5(10),7-friedelatetraene-6,21-dione 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059917	2,5-Dihydro-2-(5-hydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-4-methyl-3-(3-methyl-2-butenyl)furan; O-Cinnamoyl 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059918	3-Hydroxy-21,24,29-trinor-2,20-dioxo-20,21-seco-1(10),3,5,7-friedelatetraen-22-al 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059919	Brevione A 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059920	Clusiaparalicoline A 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059921	Cystofuranoquinol; 5-Oxo 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059922	Cystoquinone 	C27H34O4	422.245709	NA	MeJP	NA	NA
+MJ059923	Yezoquinolide 	C27H34O4	422.245709	NA	MeJP	NA	NA
+8285	antioxidative peptide	IPIQYVL	422.2465	MH2+	Inhouse_peptide	NA	peptide
+PJ001216	LKY 	C21H34N4O5	422.2529	NA	PeJP	NA	NA
+MJ059924	1,15,19-Trihydroxy-2,6,10-phytatrien-14-one, 1,19-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059925	12,15,16-Spongianetriol, 15,16-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059926	15,17-Epoxy-7,17-dihydroxy-16-isocopalanoic acid, 17-Me ether, 7-Ac, Me ester 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059927	15-Isopimarene-2,3,7,8-tetrol, 2,7-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059928	2,15-Dihydroxy-1(10)-halimen-18-oic acid, Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059929	2,7-Dolabelladiene-5,6,10,18-tetrol, 5,6-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059930	2,9:3,16-Diepoxy-7,11-dihydroxy-4-asbestinanone, 11-Butanoyl 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059931	2-[3-(3-Butylcyclopentyl)-3-hydroxy-1-propenyl]-3-hydroxy-3,5-dioxocyclopentaneheptanoic acid 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059932	3,15-Dihydroxy-8(17)-labden-19-oic acid, Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059933	3,4-Epoxy-7-dolabellene-10,18-diol, 7?,8?-Epoxide, di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059934	5-Rosene-3,15,16,19-tetrol, 3,19-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059935	6,13-Epoxy-8(19)-eunicellene-4,9,12-triol, 4,12-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059936	7,15-Dihydroxy-8-labden-17-oic acid, Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059937	8(17),13-Labdadiene-2,7,15,19-tetrol, 15,19-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059938	8,13-Epoxy-14-labdene-3,6,7-triol, 3,6-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059939	8,13-Epoxy-14-labdene-3,6,7-triol, 3,7-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059940	8,13-Epoxy-14-labdene-3,6,7-triol, 3,6-Di-Ac 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059941	Ancepsenolide, 3,4-Dihydro, 4-acetoxy 	C24H38O6	422.266838	NA	MeJP	NA	NA
+MJ059942	N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinylcyclohexanecarboxamide 	C25H34N4O2	422.268176	NA	MeJP	NA	NA
+MJ059943	Glutamine, N-(17?-Hydroxy-9Z,12Z,15Z-octadecatrienoyl) 	C23H38N2O5	422.278072	NA	MeJP	NA	NA
+C16345	Volicitin	C23H38N2O5	422.2781	NA	KEGG	NA	NA
+HMDB11142	DHAP(18:0e)	C21H43O6P	422.279724	NA	HMDB2010	NA	NA
+MJ059944	14-Hydroxyergosta-4,7,9(11),22-tetraene-3,6-dione 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059945	17-Hydroxyestr-4-en-3-one; 17?-form, 17-(4-Methylbicyclo[2.2.2]oct-2-ene-1-carboxylate) 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059946	2,15-Dihydroxy-24,28-dinor-1,4,12-oleanatriene-3,16-dione; 15?-form, 15-Deoxy 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059947	5-Hydroxy-7-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-2(3H)-benzofuranone 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059948	Canarol 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059949	Emmolactone 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059950	Iguesterin; 20?,21-Dihydro, 29-hydroxy 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059951	Iguesterin; 7,8-Dihydro, 7?-hydroxy 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059952	Minabeolide 1 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059953	Russulaflavidin; 19,20-Dihydro 	C28H38O3	422.282095	NA	MeJP	NA	NA
+MJ059954	4,6-Dihydroxy-15-clerodanoic acid, 6-Angeloyl 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059955	8(17),14-Labdadien-13-ol, 13-O-?-D-Xylopyranonide 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059956	8(17)-Labdene-13,14,15-triol, 15-Ac, 14-propanoyl 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059957	8-Labden-15-oic acid, (2-Acetylglyceryl) ester 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059958	8-Labden-15-oic acid, (3-Acetylglyceryl) ester 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059959	Amphidinolide T1 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059960	Amphidinolide T3 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059961	Hurghaperoxide 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059962	Muqubilin B 	C25H42O5	422.303224	NA	MeJP	NA	NA
+MJ059963	Azimine 	C24H42N2O4	422.314457	NA	MeJP	NA	NA
+MJ059964	3-Hydroxy-28-nor-11,13(18),17(22)-oleanatrien-21-one; 3?-form 	C29H42O2	422.31848	NA	MeJP	NA	NA
+MJ059965	Agelas nakamurai Thelepogane-purine alkaloid 	C26H40N5	422.328371	NA	MeJP	NA	NA
+MJ059966	27-Norcholestane-3,7,12,24-tetrol 	C26H46O4	422.339609	NA	MeJP	NA	NA
+MJ059967	1,14-Taraxeradien-3-one 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059968	1,20(29)-Lupadien-3-ol, 3-Ketone 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059969	11,13(18)-Oleanadien-3-ol, 3-Ketone 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059970	5,20(29)-Lupadien-3-ol, 3-Ketone 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059971	9(11),12-Oleanadien-3-ol, 3-Ketone 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059972	9(11),12-Ursadien-3-ol, 3-Ketone 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059973	Cycloarta-23,25-dien-3-one 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059974	Furospinulosin 2 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059975	Lanosta-7,9(11),24-trien-3-ol, 3-Ketone 	C30H46O	422.354866	NA	MeJP	NA	NA
+MJ059976	23,29-Imino-B(9a)-homo-19-norstigmasta-1(10),7,9(11),23(N)-tetraen-3-amine, 9,11-Dihydro 	C29H46N2	422.366099	NA	MeJP	NA	NA
+MJ059977	Plakinamine A 	C29H46N2	422.366099	NA	MeJP	NA	NA
+C16894	Plakinamine A	C29H46N2	422.3661	NA	KEGG	NA	NA
+MJ059978	10,12-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059979	10-Octacosenoic acid 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059980	11,13-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059981	11-Oxooctacosanal 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059982	12,14-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059983	13-Oxooctacosanal 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059984	19-Octacosenoic acid 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059985	21-Octacosenoic acid 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059986	23-Hydroxy-5-octacosen-3-one 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059987	23-Octacosenoic acid 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059988	5,7-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059989	5-Octacosenoic acid 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059990	6,8-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059991	7,9-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059992	7-Oxooctacosanal 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059993	8,10-Octacosanedione 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059994	9-Octacosenoic acid 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059995	9-Oxooctacosanal 	C28H54O2	422.41238	NA	MeJP	NA	NA
+MJ059996	1-Cyclohexyl-4-tricosanol 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ059997	10-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ059998	12-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ059999	13-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ060000	15-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ060001	2-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ060002	3,11-Dimethyl-2-heptacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ060003	3,7-Dimethyl-2-heptacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ060004	5-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+MJ060005	6-Nonacosanone 	C29H58O	422.448766	NA	MeJP	NA	NA
+C08386	Nonacosan-10-one	C29H58O	422.4488	NA	KEGG	NA	NA
+MJ060006	4-Methylnonacosane 	C30H62	422.485151	NA	MeJP	NA	NA
+MJ060007	Triacontane 	C30H62	422.485152	NA	MeJP	NA	NA
+C13817	8-Br-cGMP	C10H11BrN5O7P	422.9579	NA	KEGG	NA	NA
+MJ060008	5-Amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-1H-1,2,3-triazole-4-carboxamide 	C17H12Cl3N5O2	423.005657	NA	MeJP	NA	NA
+MJ060009	Coscinamide A; 7-Hydroxy 	C20H14BrN3O3	423.021853	NA	MeJP	NA	NA
+MJ060010	3-(Methylthio)propyl glucosinolate; S-Oxide 	C11H21NO10S3	423.032757	NA	MeJP	NA	NA
+MetaCyc03493	3-methylsulfinylpropyl-glucosinolate [glucoiberin;]	C11H21N1O10S3	423.032758	NA	metacyc	NA	NA
+C08411	Glucoiberin	C11H21NO10S3	423.0328	NA	KEGG	NA	NA
+MJ060011	Cefapirin 	C17H17N3O6S2	423.055876	NA	MeJP	NA	NA
+C06896	Cephapirin	C17H17N3O6S2	423.0559	NA	KEGG	NA	NA
+MJ060012	2-Phenylethyl glucosinolate 	C15H21NO9S2	423.065772	NA	MeJP	NA	NA
+C08417	Gluconasturtiin	C15H21NO9S2	423.0658	NA	KEGG	NA	NA
+MJ060013	Antibiotic PB 5266C 	C12H17N5O10S	423.069612	NA	MeJP	NA	NA
+MJ060014	Xanthommatin 	C20H13N3O8	423.070264	NA	MeJP	NA	NA
+MetaCyc03494	xanthommatin []	C20H13N3O8	423.070264	521-58-4	metacyc	NA	NA
+C01969	Xanthommatin	C20H13N3O8	423.0703	NA	KEGG	NA	NA
+MJ060015	Cefuracetime 	C17H17N3O8S	423.073635	NA	MeJP	NA	NA
+MJ060016	Adociaquinone A 	C22H17NO6S	423.077657	NA	MeJP	NA	NA
+MJ060017	Prinomastat 	C18H21N3O5S2	423.092262	NA	MeJP	NA	NA
+MJ060018	S-(1,2-Dicarboxyethyl)glutathione 	C14H21N3O10S	423.094764	NA	MeJP	NA	NA
+MJ060019	Fibrostatins; Fibrostatin B 	C19H21NO8S	423.098787	NA	MeJP	NA	NA
+PJ001217	GCNM 	C14H25N5O6S2	423.1246	NA	PeJP	NA	NA
+PJ001218	GGGCM 	C14H25N5O6S2	423.1247	NA	PeJP	NA	NA
+C10990	Flumiclorac pentyl	C21H23ClFNO5	423.1249	NA	KEGG	NA	NA
+MJ060020	Maremycin F 	C22H21N3O4S	423.125276	NA	MeJP	NA	NA
+MJ060021	8-Oxocorynoline; Natural-form, Ac 	C23H21NO7	423.131802	NA	MeJP	NA	NA
+PJ001219	SSCQ 	C14H25N5O8S	423.1424	NA	PeJP	NA	NA
+7921	synthetic peptide	MHH	423.1564	antioxidative	Inhouse_peptide	NA	peptide
+MJ060022	Coelenterazine 	C26H21N3O3	423.158291	NA	MeJP	NA	NA
+MetaCyc03495	renilla luciferin []	C26H21N3O3	423.158292	NA	metacyc	NA	NA
+MetaCyc03496	oplophorus luciferin []	C26H21N3O3	423.158292	NA	metacyc	NA	NA
+C15037	Oplophorus luciferin	C26H21N3O3	423.1583	NA	KEGG	NA	NA
+PJ001220	GSSSS 	C14H25N5O10	423.1602	NA	PeJP	NA	NA
+PJ001221	ACCK 	C15H29N5O5S2	423.161	NA	PeJP	NA	NA
+MJ060023	1-[[4,5-Bis(4-methoxyphenyl)-2-thiazolyl]carbonyl]4-methylpiperazine 	C23H25N3O3S	423.161662	NA	MeJP	NA	NA
+C06870	Carbidopa-levodopa	C10H14N2O4	423.1642	NA	KEGG	NA	NA
+PJ001222	EEF 	C19H25N3O8	423.1642	NA	PeJP	NA	NA
+MJ060024	8-Acetonylcorynoline 	C24H25NO6	423.168187	NA	MeJP	NA	NA
+C12223	N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-	C24H25NO6	423.1682	NA	KEGG	NA	NA
+PJ001223	MHH 	C17H25N7O4S	423.1689	NA	PeJP	NA	NA
+MJ060025	2-Hydroxy-2-methylbutanoic acid, Nitrile, O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H29NO11	423.17406	NA	MeJP	NA	NA
+C08336	Neolinustatin	C17H29NO11	423.1741	NA	KEGG	NA	NA
+PJ001224	NQY 	C18H25N5O7	423.1754	NA	PeJP	NA	NA
+PJ001225	SSCK 	C15H29N5O7S	423.1788	NA	PeJP	NA	NA
+MJ060026	N-[3-Amino-4-[2-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]ethoxy]phenyl]methanesulfonamide 	C20H29N3O5S	423.182791	NA	MeJP	NA	NA
+C03860	Deaminohydroxyblasticidin S	C17H25N7O6	423.1866	NA	KEGG	NA	NA
+MetaCyc03497	deaminohydroxyblasticidin S []	C17H25N7O6	423.186632	NA	metacyc	NA	NA
+PJ001226	GPNH 	C17H25N7O6	423.1867	NA	PeJP	NA	NA
+8227	ACE inhibitor	IEY	423.189	NA  ;SYN:(-)-beta-Phenylalanine; (L)-Phenylalanine; (S)-(-)-Phenylalanine; (S)-2-Amino-3-phenylpropionate; (S)-2-Amino-3-phenylpropionic acid; (S)-2-amino-3-phenylpropanoate; (S)-2-amino-3-phenylpropanoic acid; (S)-Phenylalanine; (S)-alpha-Amino-benzenepropanoate; (S)-alpha-Amino-benzenepropanoic acid; (S)-alpha-Amino-beta-phenylpropionate; (S)-alpha-Amino-beta-phenylpropionic acid; (S)-alpha-Aminobenzenepropanoate; (S)-alpha-Aminobenzenepropanoic acid; (S)-alpha-Aminohydrocinnamate; (S)-alpha-Aminohydrocinnamic acid; 3-Phenyl-L-alanine; L-2-Amino-3-phenylpropionate; L-2-Amino-3-phenylpropionic acid; Phe; Phenylalamine; Phenylalanine; alpha-Aminohydrocinnamate; alpha-Aminohydrocinnamic acid; beta-Phenyl-L-alanine; beta-Phenyl-alpha-alanine; beta-Phenylalanine; phenyl-AlanineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ060027	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl) 	C21H29NO8	423.189316	NA	MeJP	NA	NA
+MJ060028	Ligularizine 	C21H29NO8	423.189316	NA	MeJP	NA	NA
+MJ060029	Otosenine; Ac 	C21H29NO8	423.189316	NA	MeJP	NA	NA
+MJ060030	Petasitenine; Ac 	C21H29NO8	423.189316	NA	MeJP	NA	NA
+MJ060031	Senkirkine; 15E-Isomer, 21-acetoxy 	C21H29NO8	423.189316	NA	MeJP	NA	NA
+MJ060032	Senkirkine; 19-Acetoxy 	C21H29NO8	423.189316	NA	MeJP	NA	NA
+MJ060033	Butanserin 	C24H26FN3O3	423.195819	NA	MeJP	NA	NA
+C15067	4-Chloro-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-	C26H30ClNO2	423.1965	NA	KEGG	NA	NA
+MJ060034	Antibiotic A 9145H 	C16H25N9O5	423.197864	NA	MeJP	NA	NA
+7655	ACE inhibitor from wakame	YNK	423.1999	antioxidative	Inhouse_peptide	NA	peptide
+MJ060035	Amicoumacin B; Amide 	C20H29N3O7	423.20055	NA	MeJP	NA	NA
+MJ060036	Antibiotic AI 77A 	C20H29N3O7	423.20055	NA	MeJP	NA	NA
+PJ001227	LEY 	C20H29N3O7	423.2006	NA	PeJP	NA	NA
+MJ060037	2,3,4,6,7-Pentamethoxyphenanthroindolizidine 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060038	Lagerine 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060039	Lasubine I; 9a-Epimer, O3'-de-Me, 2-O-(4-hydroxycinnamoyl) 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060040	Lasubine I; O3'-De-Me, 2-O-(4-hydroxycinnamoyl) 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060041	Vertaline, 5-Epimer, O23-de-Me 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060042	Vertaline, O23-De-Me 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060043	Verticillatine; 12,13-Dihydro 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060044	Verticillatine; 5-Epimer, 12,13-dihydro 	C25H29NO5	423.204573	NA	MeJP	NA	NA
+MJ060045	Latrunculin S 	C22H33NO5S	423.207943	NA	MeJP	NA	NA
+PJ001228	NKY 	C19H29N5O6	423.2118	NA	PeJP	NA	NA
+C17728	Idanpramine	C24H29N3O4	423.2158	NA	KEGG	NA	NA
+MJ060046	Idanpramine 	C24H29N3O4	423.215806	NA	MeJP	NA	NA
+MJ060047	Delboxine; 8,14-Di-O-de-Me 	C22H33NO7	423.225702	NA	MeJP	NA	NA
+MJ060048	Scorpioidine; O7-Ac 	C22H33NO7	423.225702	NA	MeJP	NA	NA
+MJ060049	Sturamustine 	C22H34ClN3O3	423.228869	NA	MeJP	NA	NA
+HMDB11471	LysoPE(0:0/14:1(9Z))	C19H38NO7P	423.238586	NA	HMDB2010	NA	NA
+HMDB11501	LysoPE(14:1(9Z)/0:0)	C19H38NO7P	423.238586	NA	HMDB2010	NA	NA
+EUR814	Lyso PE 14:1 monoisotopic mass 	C19H38NO7P	423.238592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR814	Lyso PE 14:1 monoisotopic mass 	C19H38NO7P	423.238592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR814	Lyso PE 14:1 monoisotopic mass 	C19H38NO7P	423.238592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR814	Lyso PE 14:1 monoisotopic mass 	C19H38NO7P	423.238592	masses lipides attendues	Inhousejuil11	NA	NA
+MJ060050	Cyprenorphine 	C26H33NO4	423.240958	NA	MeJP	NA	NA
+C12335	Militarinone C	C26H33NO4	423.241	NA	KEGG	NA	NA
+MJ060051	Valylamiclenomycylglutamine 	C20H33N5O5	423.248169	NA	MeJP	NA	NA
+MJ060052	Deoxymalyngamide C; 8-Deoxy 	C24H38ClNO3	423.254021	NA	MeJP	NA	NA
+MJ060053	Malyngamide F; 7-Deoxy 	C24H38ClNO3	423.254021	NA	MeJP	NA	NA
+MJ060054	Acoseptrine; 10-Deoxy 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060055	Dihydrogadesine 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060056	Lappaconidine; O1-Me 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060057	Neoline; O18-De-Me 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060058	Senbusine A 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060059	Senbusine B 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060060	Talatizamine; 10-Hydroxy, O1-de-Me 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060061	Virescenine 	C23H37NO6	423.262087	NA	MeJP	NA	NA
+MJ060062	Antibiotic BE 14106 	C27H37NO3	423.277344	NA	MeJP	NA	NA
+MJ060063	Jervine; 3-Ketone 	C27H37NO3	423.277344	NA	MeJP	NA	NA
+MJ060064	Ussuriedine 	C27H37NO3	423.277344	NA	MeJP	NA	NA
+MJ060065	Agelasidine B 	C23H41N3O2S	423.291948	NA	MeJP	NA	NA
+MJ060066	Agelasidine C 	C23H41N3O2S	423.291948	NA	MeJP	NA	NA
+MJ060067	Asmarine B 	C25H37N5O	423.29981	NA	MeJP	NA	NA
+MJ060068	Aflavinine; 10,11-Dihydro, 24-hydroxy 	C28H41NO2	423.313729	NA	MeJP	NA	NA
+MJ060069	Radarin B 	C28H41NO2	423.313729	NA	MeJP	NA	NA
+HMDB06461	Linoelaidyl carnitine	C25H45NO4	423.334869	NA	HMDB2010	NA	NA
+HMDB06469	Linoleyl carnitine	C25H45NO4	423.334869	NA	HMDB2010	NA	NA
+HMDB06461	Linoelaidyl carnitine	C25H45NO4	423.33487	http://www.hmdb.ca/metabolites/HMDB06461	HMDB	NA	NA
+HMDB06469	Linoleyl carnitine	C25H45NO4	423.33487	http://www.hmdb.ca/metabolites/HMDB06469	HMDB	NA	NA
+HMDB06469	Linoleyl carnitine	C25H45NO4	423.33487	NA  ;SYN:(-)-Aspartic acid; (2R)-2-Aminobutanedioic acid; (R)-2-Aminobutanedioic acid; (R)-2-Aminosuccinic acid; (R)-Aspartic acid; 1-Amino-1,2-carboxyethane; aspartic acid; D-(-)-Aspartic acid; D-aspartate; D-Asparaginsaeure; D-aspartic acid; delta-asparaginsaeure; delta-aspartic acid; Lopac-alpha-9256; Tocris-0213; delta-(-)-Aspartic acid; (2R)-2-Aminobutanedioate; (R)-2-Aminobutanedioate; delta-aspartateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB06461	Linoelaidyl carnitine	C25H45NO4	423.33487	HMDB06461	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06469	Linoleyl carnitine	C25H45NO4	423.33487	HMDB06469	PFEM_hmdb_metabocards_official	NA	NA
+MJ060070	Ethylhexadecyldimethylammonium(1+); Ethyl sulfate 	C22H49NO4S	423.338229	NA	MeJP	NA	NA
+MJ060071	Gallamine 	C24H45N3O3	423.346092	NA	MeJP	NA	NA
+8085	peptide derived from tuna cooking juice	VDHDHPE	423.6659	MH2+	Inhouse_peptide	NA	peptide
+MJ060072	1,4,6-Tribromo-7-chloro-3,7-dimethyl-1-octen-3-ol 	C10H16Br3ClO	423.84398	NA	MeJP	NA	NA
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	HMDB	NA	NA
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	Inhouse_PFEM	NA	NA
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC024	UNKNOWN signif manip paracetamol	NA	423.8968	RT0.6	PFEM_hmdb_metabocards_official	NA	NA
+MJ060073	Obtusallene II 	C15H19Br2ClO2	423.944032	NA	MeJP	NA	NA
+MJ060074	Dysideathiazole; 10-Dechloro 	C13H17Cl5N2OS	423.950422	NA	MeJP	NA	NA
+MJ060075	2-Bromoadenosine; 5'-O-Sulfamoyl 	C10H13BrN6O6S	423.980065	NA	MeJP	NA	NA
+MJ060076	Antibiotic TAN 2421A1; 5-Dechloro 	C18H13ClO8S	424.001965	NA	MeJP	NA	NA
+MJ060077	Antibiotic TAN 2421A1; 7-Dechloro 	C18H13ClO8S	424.001965	NA	MeJP	NA	NA
+MJ060078	Dysamide A; 3'-Dechloro 	C14H21Cl5N2O2	424.004566	NA	MeJP	NA	NA
+MJ060079	Valoneic dilactone dioxine 	C20H8O11	424.006661	NA	MeJP	NA	NA
+MJ060080	Bisezakyne B 	C17H23BrCl2O3	424.020762	NA	MeJP	NA	NA
+MJ060081	Laurencienyne 	C17H23BrCl2O3	424.020762	NA	MeJP	NA	NA
+MJ060082	Rogiolenyne B; 4-Ac 	C17H23BrCl2O3	424.020762	NA	MeJP	NA	NA
+MJ060083	Diospyrin; 3'-Chloro, 2'-hydroxy 	C22H13ClO7	424.03498	NA	MeJP	NA	NA
+EUR207	thiamin pyrophosphate	C12H18N4O7P2S	424.0371	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR207	thiamin pyrophosphate	C12H18N4O7P2S	424.0371	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR207	thiamin pyrophosphate	C12H18N4O7P2S	424.0371	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR207	thiamin pyrophosphate	C12H18N4O7P2S	424.0371	Wishlist	Inhousejuil11	NA	NA
+MJ060084	Thiamine diphosphate 	C12H18N4O7P2S	424.037142	NA	MeJP	NA	NA
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	HMDB	NA	NA
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	Inhouse_PFEM	NA	NA
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR207	Thiamin pyrophosphate	C12H18N4O7P2S	424.037149	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR239	Thiamine pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR239	Thiamine pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR239	Thiamine pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR239	Thiamine pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR239	Thiamin pyrophosphate F1	NA	424.038675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ060085	Sulosemide 	C17H16N2O7S2	424.039892	NA	MeJP	NA	NA
+FL5FCFGSS001	Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one	C18H16O10S	424.04641	221662-11-9	knapsack	NA	NA
+FL5FEANSS004	Mikanin 3-O-sulfate	C18H16O10S	424.04641	129419-17-6	knapsack	NA	NA
+MJ060086	3,4',5,6,7-Pentahydroxyflavone; 4',6,7-Tri-Me ether, 3-O-sulfate 	C18H16O10S	424.046417	NA	MeJP	NA	NA
+MJ060087	3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-Sulfate 	C18H16O10S	424.046417	NA	MeJP	NA	NA
+MJ060088	Zoficonazole 	C20H19Cl3N2O2	424.05121	NA	MeJP	NA	NA
+MJ060089	Carpetimycin A; 1',2'-Dihydro, O-sulfate 	C14H20N2O9S2	424.061021	NA	MeJP	NA	NA
+MJ060090	Cefuroxime 	C16H16N4O8S	424.068884	NA	MeJP	NA	NA
+C06894	Cefuroxime	C16H16N4O8S	424.0689	NA	KEGG	NA	NA
+MJ060091	Kotalanol 	C12H24O12S2	424.070917	NA	MeJP	NA	NA
+MJ060092	Epicorazine A; 2,2',3,3'-Tetradehydro 	C18H20N2O6S2	424.076277	NA	MeJP	NA	NA
+FL4DAANC0004	Hypnum acid;3,5,7,4'-Tetrahydroxyflavanone 3'-(4-hydroxybenzoic acid)	C22H16O9	424.07943	156250-63-4	knapsack	NA	NA
+FL631CNC0001	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one	C22H16O9	424.07943	126655-06-9	knapsack	NA	NA
+MJ060093	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2-Di-Ac 	C22H16O9	424.079432	NA	MeJP	NA	NA
+MJ060094	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one 	C22H16O9	424.079432	NA	MeJP	NA	NA
+MJ060095	9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 5'-Hydroxy 	C22H16O9	424.079432	NA	MeJP	NA	NA
+MJ060096	Hypnum acid 	C22H16O9	424.079432	NA	MeJP	NA	NA
+MJ060097	Mirabazole C 	C18H24N4S4	424.088379	NA	MeJP	NA	NA
+MJ060098	Hamigeran A 	C20H25BrO5	424.088536	NA	MeJP	NA	NA
+PJ001229	PCCC 	C14H24N4O5S3	424.0909	NA	PeJP	NA	NA
+MJ060099	Peniophorin 	C26H16O6	424.094688	NA	MeJP	NA	NA
+MJ060100	Dulozafone 	C20H22Cl2N2O4	424.095662	NA	MeJP	NA	NA
+MJ060101	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060102	3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 1'-O-(4-Hydroxybenzoyl), 3-O-?-D-glucopyranoside 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060103	4-Glucopyranosyl-2,3,4',5,6-pentahydroxybenzophenone 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060104	4-Glucosyl-2,3,3',5,6-pentahydroxybenzophenone 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060105	Arbutin; 2-O-(3,4,5-Trihydroxybenzoyl) 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060106	Arbutin; 4'-O-(3,4,5-Trihydroxybenzoyl) 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060107	Arbutin; 6-O-(3,4,5-Trihydroxybenzoyl) 	C19H20O11	424.100561	NA	MeJP	NA	NA
+MJ060108	Equisetumpyrone 	C19H20O11	424.100561	NA	MeJP	NA	NA
+PJ001230	GCDM 	C14H24N4O7S2	424.1087	NA	PeJP	NA	NA
+FLIFWYNP0001	6-Hydroxy-6a,12a-dehydro-alpha-toxicarol	C23H20O8	424.11581	82799-75-5	knapsack	NA	NA
+MJ060109	1,6:4,5-Diepoxy-2,3-dihydroxy-1-cyclohexanemethanol, 1',3-Dibenzoyl, 2-Ac 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060110	Aflavarin; 1''-Deoxy, 7-De-O-Me 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060111	Antibiotic A 35566B 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060112	Desertorin A; 7-Me ether 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060113	Diphyllin; 6-Methoxy, Me ether 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060114	Isokotanin A; 7-De-O-Me 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060115	Justicidin P 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060116	Kotanin; 7'-De-O-Me 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060117	Orcinyl lecanorate 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060118	Phyllamyricin E; 6'-Methoxy 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060119	Sulfurmycin A; Aglycone, 4-deoxy 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060120	Sumatrol; 6a,12a-Didehydro, 6?-hydroxy 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060121	?-Peltatin; 7,7',8,8'-Tetradehydro, di-Me ether 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060122	?-Toxicarol; 7a,13a-Didehydro, 13?-hydroxy 	C23H20O8	424.115817	NA	MeJP	NA	NA
+MJ060123	Gedocarnil 	C23H21ClN2O4	424.118984	NA	MeJP	NA	NA
+MJ060124	Podolactone C 	C20H24O8S	424.119188	NA	MeJP	NA	NA
+MJ060125	Bromovulone I 	C21H29BrO4	424.124922	NA	MeJP	NA	NA
+PJ001231	SSCE 	C14H24N4O9S	424.1264	NA	PeJP	NA	NA
+MJ060126	Adifoline 	C22H20N2O7	424.127051	NA	MeJP	NA	NA
+MJ060127	Neoadifoline 	C22H20N2O7	424.127051	NA	MeJP	NA	NA
+C09020	Adifoline	C22H20N2O7	424.1271	NA	KEGG	NA	NA
+MJ060128	Furbucillin 	C19H24N2O7S	424.130421	NA	MeJP	NA	NA
+MJ060129	Calanone 	C27H20O5	424.131073	NA	MeJP	NA	NA
+MJ060130	Isocalanone 	C27H20O5	424.131073	NA	MeJP	NA	NA
+MJ060131	Teysmanone A 	C27H20O5	424.131073	NA	MeJP	NA	NA
+C07602	Ginkgolide B	C20H24O10	424.1369	NA	KEGG	NA	NA
+C07604	Ginkgolide J	C20H24O10	424.1369	NA	KEGG	NA	NA
+C09309	Rutarin	C20H24O10	424.1369	NA	KEGG	NA	NA
+C16816	Ginkgolide M	C20H24O10	424.1369	NA	KEGG	NA	NA
+MJ060132	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-?-D-Galactopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060133	2,3-Dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, 1'-O-?-D-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060134	2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one, 2'-O-?-D-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060135	5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060136	Arnottianin; O-De-Me, 2'-O-?-D-glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060137	Celereoin; 3'-O-?-D-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060138	Eurycomanol; 2-Ketone, 13?,18-epoxide 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060139	Ginkgolide C; 1-Deoxy 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060140	Ginkgolide C; 3-Deoxy 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060141	Ginkgolide C; 7-Deoxy 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060142	Khellactone, 9-O-?-D-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060143	Picrodendrin B 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060144	Rutaretin, 1'-O-?-D-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060145	Rutaretin, 9-O-?-D-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060146	Vaginidiol; 1''-O-Glucopyranoside 	C20H24O10	424.136946	NA	MeJP	NA	NA
+MJ060147	Thaxtomin A; N1-De-Me 	C21H20N4O6	424.138284	NA	MeJP	NA	NA
+MJ060148	Thaxtomin A; N4-De-Me 	C21H20N4O6	424.138284	NA	MeJP	NA	NA
+PJ001232	GSMM 	C15H28N4O6S2	424.145	NA	PeJP	NA	NA
+MJ060149	Eprosartan 	C23H24N2O4S	424.145677	NA	MeJP	NA	NA
+C07467	Eprosartan	C23H24N2O4S	424.1457	NA	KEGG	NA	NA
+MJ060150	3-[(4-Hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione; O-(3-Hydroxymethyl-2-butenyl) 	C20H28N2O4S2	424.149048	NA	MeJP	NA	NA
+MJ060151	Melithiazoles; Melithiazole B, 11?,12,14,15-Tetrahydro 	C20H28N2O4S2	424.149048	NA	MeJP	NA	NA
+FL1CA9NF0004	(+)-Tephropurpurin;[(+)-5'',5''-dimethyl-4''alpha-acacetoxytetrahydrofurano(2'',3''-b)-dihydrofurano(4',5'-h)-2'-methoxy-6'-hydroxychalcone]	C24H24O7	424.1522	195609-89-3	knapsack	NA	NA
+FL3FFCNP0001	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone	C24H24O7	424.1522	137319-32-5	knapsack	NA	NA
+FL5FDDNF0003	8-C-Methylvelloquercetin 3,5,3'-trimethyl ether	C24H24O7	424.1522	148335-06-2	knapsack	NA	NA
+FLIF2LNP0001	Erythynone;(+)-2,3,10-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':9,8]rotenone	C24H24O7	424.1522	128700-25-4	knapsack	NA	NA
+FLIFHXNF0007	12a-Methoxyrotenone	C24H24O7	424.1522	54534-95-1	knapsack	NA	NA
+MJ060152	13-Hydroxyripariochromene A; 7-Deoxy, 13-(4-Hydroxy-3-methoxycinnamoyl) 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060153	3',4',5,5',7-Pentahydroxy-8-prenylflavone; 3',4'-Methylene, 5,5',7-tri-Me ether 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060154	5,6-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one; Tetra-Me ether 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060155	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-Benzoyl, 11-Ac 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060156	8-C-Methylvellokaempferol; 3'-Hydroxy, 3,3',5-tri-Me ether 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060157	Butyrolactone II; 3'-(3-Methyl-2-butenyl) 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060158	Deguelin, 5-Methoxy 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060159	Garcinisidone B 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060160	Rotenolone, Me ether 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060161	Tephropurpurin 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060162	Xanthone V1; 7-Methoxy 	C24H24O7	424.152203	NA	MeJP	NA	NA
+MJ060163	Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(R,Z-), 9-Ac 	C21H28O7S	424.155573	NA	MeJP	NA	NA
+MJ060164	Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(S,E-), 9-Ac 	C21H28O7S	424.155573	NA	MeJP	NA	NA
+MJ060165	Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(S,Z-), 9-Ac 	C21H28O7S	424.155573	NA	MeJP	NA	NA
+MJ060166	Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl)(R,Z-), 1-Ac 	C21H28O7S	424.155573	NA	MeJP	NA	NA
+MJ060167	Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl)(S,E-), 1-Ac 	C21H28O7S	424.155573	NA	MeJP	NA	NA
+MJ060168	Fukinolidiol; 9-(3-Methylsulfinyl-2-propenoyl)(S,Z), 1-Ac 	C21H28O7S	424.155573	NA	MeJP	NA	NA
+MJ060169	Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H28O12	424.158076	NA	MeJP	NA	NA
+PJ001233	NEY 	C18H24N4O8	424.1594	NA	PeJP	NA	NA
+MJ060170	15-Bromo-9(11)-parguerene-2,16-diol, 2-Ac 	C22H33BrO3	424.161307	NA	MeJP	NA	NA
+PJ001234	SSTM 	C15H28N4O8S	424.1628	NA	PeJP	NA	NA
+MJ060171	Kopsifine; 5-Deoxo 	C23H24N2O6	424.163436	NA	MeJP	NA	NA
+MJ060172	Oximidine II 	C23H24N2O6	424.163436	NA	MeJP	NA	NA
+MJ060173	Pleiocarpine; 5,6-Dioxo 	C23H24N2O6	424.163436	NA	MeJP	NA	NA
+MJ060174	Cloprostenol 	C22H29ClO6	424.165266	NA	MeJP	NA	NA
+MJ060175	Isomarchantin C 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060176	Isoplagiochin A; 7',8'-Dihydro 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060177	Isoplagiochin C; 7',8'-Dihydro 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060178	Isoriccardin C 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060179	Marchantin C 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060180	Neomarchantin A 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060181	Riccardin B 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060182	Riccardin C 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060183	Riccardin D 	C28H24O4	424.167459	NA	MeJP	NA	NA
+MJ060184	Spiradoline 	C22H30Cl2N2O2	424.168433	NA	MeJP	NA	NA
+C01674	Chitobiose	C16H28N2O11	424.1693	NA	KEGG	NA	NA
+MJ060185	Chitobiose; Pyranose-form, N,N'-Di-Ac 	C16H28N2O11	424.169309	NA	MeJP	NA	NA
+MetaCyc03498	chitobiose [diacetylchitobiose;N-[2-[5-acetylamino-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihyrdoxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide;CBS;Chitodextrin;]	C16H28N2O11	424.16931	577-76-4	metacyc	NA	NA
+PJ001235	GPDH 	C17H24N6O7	424.1707	NA	PeJP	NA	NA
+C10463	Grandidentatin	C21H28O9	424.1733	NA	KEGG	NA	NA
+MJ060186	1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid, ?-D-Glucopyranosyl ester 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060187	1(10),4,11(13)-Germacratrien-12,8-olid-14-oic acid, ?-D-Glucopyranosyl ester 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060188	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Et ether, 8,13-di-Ac 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060189	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8-propanoyl, 13-Ac 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060190	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13-Ac 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060191	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060192	15-Hydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060193	15-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060194	15-Hydroxy-2-oxo-3,5-guaiadien-12,8-olide, 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060195	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 2-Hydroperoxide, 8-(2-methylpropanoyl), 9-Ac 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060196	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060197	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060198	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,11,13,15-Tetradehydro, 3-O-?-D-glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060199	3,9-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060200	3-O-Caffeoylquinic acid, 3'-Me ether, butyl ester 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060201	4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, Tri-Ac 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060202	4,9,11(13)-Germacratrien-12,6-olid-14-oic acid, ?-D-Glucopyranosyl ester 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060203	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 14-Hydroxy, 11?,13-dihydro, lactone, 14-O-?-D-glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060204	5-O-Caffeoylquinic acid, 3'-Me ether, butyl ester 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060205	8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060206	8-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-O-?-D-glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060207	9'-(3-Hydroxy-3-methylglutaroyloxy)abscisic acid 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060208	9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060209	Crepiside C 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060210	Grandidentatin 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060211	Neosolaniol; 8-Ac 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060212	Picrodendrin M 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060213	Plagiochiline G 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060214	Shizukanolide E; 15-O-?-D-Glucopyranoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+MJ060215	Shizukanolide F; 15-O-?-D-Glucoside 	C21H28O9	424.173332	NA	MeJP	NA	NA
+PJ001236	GYW 	C22H24N4O5	424.1747	NA	PeJP	NA	NA
+PJ001237	QMF 	C19H28N4O5S	424.1781	NA	PeJP	NA	NA
+MJ060216	Melicobisquinolinone B 	C27H24N2O3	424.178692	NA	MeJP	NA	NA
+MJ060217	Clindamycin 	C18H33ClN2O5S	424.17987	NA	MeJP	NA	NA
+C06914	Clindamycin	C18H33ClN2O5S	424.1799	NA	KEGG	NA	NA
+MJ060218	Amicoumacin B 	C20H28N2O8	424.184565	NA	MeJP	NA	NA
+MJ060219	Antibiotic WF 10129 	C20H28N2O8	424.184565	NA	MeJP	NA	NA
+FL1C1ANF0005	Paratocarpin G;3'-Prenyl-5''-(2-hydroxyisopropyl)-4''-hydroxy-4'',5''-dihydrofurano[2'',3'':4,3]-2',4'-dihydroxychalcone	C25H28O6	424.18858	170662-21-2	knapsack	NA	NA
+FL1C1ANI0021	Angusticornin B;3,5'-di-(2-Hydroxy-3-methylbut-3-enyl)-4,2',4'-trihydroxychalcone	C25H28O6	424.18858	851771-48-7	knapsack	NA	NA
+FL1CHYNF0001	Glyinflanin F	C25H28O6	424.18858	164123-52-8	knapsack	NA	NA
+FL1CHYNI0005	Glyinflanin E	C25H28O6	424.18858	164123-51-7	knapsack	NA	NA
+FL2FA8NI0002	Exiguaflavanone A	C25H28O6	424.18858	142608-98-8	knapsack	NA	NA
+FL2FA8NP0003	Exiguaflavanone L	C25H28O6	424.18858	156281-22-0	knapsack	NA	NA
+FL2FA9NI0023	Monotesone B;5,7,3',5'-Tetrahydroxy-6,8-diprenylflavanone	C25H28O6	424.18858	208596-56-9	knapsack	NA	NA
+FL2FAANF0001	Lonchocarpol C;(-)-Lonchocarpol C	C25H28O6	424.18858	111545-13-2	knapsack	NA	NA
+FL2FAANF0002	Lonchocarpol D	C25H28O6	424.18858	111545-14-3	knapsack	NA	NA
+FL2FAANF0007	Lonchocarpol C1;5,4'-Dihydroxy-6-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,8]dihydrofuranoflavanone	C25H28O6	424.18858	162808-16-4	knapsack	NA	NA
+FL2FAANF0008	Lonchocarpol C2;5''-epi-5,4'-Dihydroxy-6-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,8]dihydrofuranoflavanone	C25H28O6	424.18858	162808-17-5	knapsack	NA	NA
+FL2FAANF0009	Lonchocarpol D1;5,4'-Dihydroxy-8-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,6]dihydrofuranoflavanone	C25H28O6	424.18858	162808-18-6	knapsack	NA	NA
+FL2FAANF0010	Lonchocarpol D2;5''-epi-5,4'-Dihydroxy-8-prenyl-5''-(2-hydroxyisopropyl)[2'',3'':7,6]dihydrofuranoflavanone	C25H28O6	424.18858	162808-19-7	knapsack	NA	NA
+FL2FAANI0010	Flemiflavanone D	C25H28O6	424.18858	81656-59-9	knapsack	NA	NA
+FL2FAANI0016	Lupiniol A1;Lupiniol A2	C25H28O6	424.18858	162616-67-3<BR>162681-79-0	knapsack	NA	NA
+FL2FAANI0017	Lupiniol B	C25H28O6	424.18858	162616-68-4	knapsack	NA	NA
+FL2FACNI0004	Sigmoidin A	C25H28O6	424.18858	87746-48-3	knapsack	NA	NA
+FL2FACNI0006	Diplacone	C25H28O6	424.18858	73676-38-7	knapsack	NA	NA
+FL2FACNI0008	Gancaonin E	C25H28O6	424.18858	124596-89-0	knapsack	NA	NA
+FL2FACNI0009	5,7,3',4'-Tetrahydroxy-6,8-di-C-prenylflavanone;6,8-Diprenyleriodictyol;(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-Benzopyran-4-one	C25H28O6	424.18858	151649-32-0	knapsack	NA	NA
+FL2FACNI0011	5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone	C25H28O6	424.18858	156788-69-1	knapsack	NA	NA
+FL2FACNI0013	Abyssinin III;Abyssinoflavanone III;5,7,3',4'-Tetrahydroxy-5',6'-diprenylflavanone	C25H28O6	424.18858	183990-15-0	knapsack	NA	NA
+FL2FACNP0009	Dorsmanin J;5,3',4'-Trihydroxy-8-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':7,6]flavanone	C25H28O6	424.18858	329703-76-6	knapsack	NA	NA
+FL2FACNP0010	Dorsmanin E;3',4'-Dihydroxy-bis(6'',6''-dimethyldihydropyrano[2'',3'':5,6][2'',3'':7,8])flavanone	C25H28O6	424.18858	234429-61-9	knapsack	NA	NA
+FL2FALNI0001	Kuwanon E	C25H28O6	424.18858	68401-05-8	knapsack	NA	NA
+FL2FALNI0002	Kushenol F	C25H28O6	424.18858	99211-14-0	knapsack	NA	NA
+FL2FALNI0006	Sophoraflavanone G	C25H28O6	424.18858	97938-30-2	knapsack	NA	NA
+FL2FALNI0008	Kushenol E	C25H28O6	424.18858	99119-72-9	knapsack	NA	NA
+FL2FALNI0009	Lespedezaflavanone D;Euchrestaflavanone B	C25H28O6	424.18858	87402-91-3	knapsack	NA	NA
+FL2FALNI0027	2'4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin	C25H28O6	424.18858	157072-26-9	knapsack	NA	NA
+FL2FALNI0028	Sophoraflavanone C	C25H28O6	424.18858	121927-91-1	knapsack	NA	NA
+FL2FALNI0032	(2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone	C25H28O6	424.18858	460345-17-9	knapsack	NA	NA
+FL2FALNI0034	Sanggenol A;5,7,2',4'-Tetrahydroxy-3'-geranylflavanone	C25H28O6	424.18858	174423-30-4	knapsack	NA	NA
+FL2FALNI0037	Remangiflavanone B;5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone	C25H28O6	424.18858	289681-43-2	knapsack	NA	NA
+FL2FALNP0023	Leachianone F;5,2',4'-Trihydroxy-5''-prenyl-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone	C25H28O6	424.18858	152464-77-2	knapsack	NA	NA
+FL4DAANI0005	Lespedezaflavanone C	C25H28O6	424.18858	126026-21-9	knapsack	NA	NA
+FL4DAANI0006	Bonanniol A	C25H28O6	424.18858	96917-35-0	knapsack	NA	NA
+FL4DAANI0007	3,5,4'-Trihydroxy-7-geranyloxyflavanone	C25H28O6	424.18858	160036-21-5	knapsack	NA	NA
+FL4DAANI0008	3,5,7,4'-Tetrahydroxy-6,8-diprenylflavanone	C25H28O6	424.18858	70594-43-3	knapsack	NA	NA
+FLIBALNI0003	Lespedeol A	C25H28O6	424.18858	51581-05-6	knapsack	NA	NA
+FLIBALNI0012	3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone	C25H28O6	424.18858	104380-55-4	knapsack	NA	NA
+MJ060220	1,3,5,6-Tetrahydroxy-4,8-diprenylxanthone; 3,6-Di-Me ether 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060221	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 3,6-Di-Me ether 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060222	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 3,7-Di-Me ether 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060223	2',3,4',7-Tetrahydroxy-6,8-diprenylisoflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060224	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060225	2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060226	2',4',5,7-Tetrahydroxy-5',6-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060227	2',4',5,7-Tetrahydroxy-5',8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060228	2',4',5,7-Tetrahydroxy-6,8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060229	2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060230	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(2-Methyl-6-methylene-7-oxo-2-octenoyl)(E-) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060231	3',4',5,7-Tetrahydroxy-2',5'-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060232	3',4',5,7-Tetrahydroxy-5',6-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060233	3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060234	3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060235	3',5,5',7-Tetrahydroxy-6,8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060236	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3',4'-Methylene, 3-Me ether, 4-O-(3-methyl-2-butenyl) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060237	3,3',4,4'-Tetrahydroxylignan-9,9'-olide, 3,4-Methylene, 3'-Me ether, 4'-O-(3-methyl-2-butenyl) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060238	3,4',5,7-Tetrahydroxy-3',8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060239	3,4',5,7-Tetrahydroxy-6,8-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060240	3,4',5,7-Tetrahydroxyflavanone, 7-O-(E-3,7-Dimethyl-2,6-octadienyl) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060241	4',5,5',7-Tetrahydroxy-2',3'-diprenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060242	4',5,7-Trihydroxy-3',8-diprenylflavanone, 2''',3'''-Epoxide 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060243	4',5,7-Trihydroxy-3',8-diprenylflavanone, ?3'''-Isomer, 2'''?-hydroxy 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060244	4',5,7-Trihydroxy-6,8-diprenylflavanone, ?3''-Isomer, 2''-hydroxy 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060245	4',5,7-Trihydroxy-8-lavandulylflavanone, 2'-Hydroxy 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060246	5'-(1,1-Dimethylallyl)-2',4',5,7-tetrahydroxy-6-prenylflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060247	5'-Geranyl-2',4',5,7-tetrahydroxyisoflavanone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060248	Arugosin A 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060249	Arugosin B 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060250	Arugosin C 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060251	Bonannione A; 3R-Hydroxy 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060252	Debromohydroxymarinone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060253	Diplacone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060254	Dorsmanin E 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060255	Exiguaflavanone A 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060256	Exiguaflavanone L 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060257	Glyinflanin E 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060258	Glyinflanin F 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060259	Kenusanone H 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060260	Kushenol F 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060261	Kuwanon E 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060262	Leachianone F 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060263	Lespedezol D5 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060264	Lespedol A 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060265	Lonchocarpol C 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060266	Lonchocarpol D 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060267	Lupinifolin, 3'-Hydroxy, 3'',4''-dihydro 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060268	Nymphaeol B 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060269	Paratocarpin G 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060270	Piperitol, O-(3-Methyl-2-butenyl) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060271	Poinsettifolactone 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060272	Rhinacanthin A, 3-O-(6,7-Epoxy-2,6-dimethyl-2-octenoyl)(E-) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060273	Rhinacanthin A, 3-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060274	Sanggenol A 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060275	Sophoraflavanone A, 2'-Hydroxy 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060276	Sophoraflavanone G 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060277	Tricoccin S4 	C25H28O6	424.188588	NA	MeJP	NA	NA
+MJ060278	Variecoxanthone B; 2',3'-Epoxide 	C25H28O6	424.188588	NA	MeJP	NA	NA
+C15161	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-	C25H28O6	424.1886	NA	KEGG	NA	NA
+C15209	Bisphenol A ethoxylate diacrylate	C25H28O6	424.1886	NA	KEGG	NA	NA
+C18053	Sophoraflavanone G	C25H28O6	424.1886	NA	KEGG	NA	NA
+PJ001238	CFR 	C18H28N6O4S	424.1893	NA	PeJP	NA	NA
+MJ060279	Siphonodictyol G 	C22H32O6S	424.191959	NA	MeJP	NA	NA
+MJ060280	Siphonodictyol H 	C22H32O6S	424.191959	NA	MeJP	NA	NA
+MJ060281	2-Hexen-1-ol, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C18H32O11	424.194461	NA	MeJP	NA	NA
+MJ060282	Kalihinol X 	C22H33ClN2O2S	424.195126	NA	MeJP	NA	NA
+PJ001239	DKY 	C19H28N4O7	424.1958	NA	PeJP	NA	NA
+C06843	Benazepril	C24H28N2O5	424.1998	NA	KEGG	NA	NA
+C06844	Transferred to D00242	C24H28N2O5	424.1998	NA	KEGG	NA	NA
+C06845	Transferred to D00243	C24H28N2O5	424.1998	NA	KEGG	NA	NA
+MJ060283	Akuammiline; 10-Methoxy 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060284	Akuammiline; 5?-Hydroxymethyl 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060285	Alviminine 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060286	Benazeprilat; 1'-Mono-Et ester 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060287	Corymine; O-Ac 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060288	Fluggeainol; Dimeric ether 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060289	Henningsoline; 12-Deoxy, O17-Ac 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060290	Kopsijasmine, 12-Methoxy 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060291	Novacine 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060292	Obscurinervine; 22-Deethyl-22-methyl 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060293	Picraline; N-Me 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060294	Vincawajine 	C24H28N2O5	424.199822	NA	MeJP	NA	NA
+MJ060295	Pibenzimol 	C25H24N6O	424.201159	NA	MeJP	NA	NA
+PJ001240	SRY 	C18H28N6O6	424.207	NA	PeJP	NA	NA
+PJ001241	APTH 	C18H28N6O6	424.2071	NA	PeJP	NA	NA
+C09776	Didrovaltratum	C22H32O8	424.2097	NA	KEGG	NA	NA
+C17032	Nigakilactone H	C22H32O8	424.2097	NA	KEGG	NA	NA
+MJ060296	1,8,10,15-Tetrahydroxy-3-oxo-11(13)-germacren-12,6-olide, 1,10-Di-Me ether, 8-angeloyl 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060297	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 6-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060298	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 6-Pentanoyl, 9-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060299	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(2-Methylbutanoyl), 6-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060300	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-O-(3-Methylbutanoyl), 6-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060301	3,4,11-Trihydroxy-6-eudesmen-8-one, 11-Hydroperoxide, 3-(2,3-epoxy-2-methylbutanoyl), 4-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060302	3,8,9,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060303	8,17-Epoxy-3,9,14,19-tetrahydroxy-12-labden-16,15-olide, 19-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060304	9,13-Epidioxy-2,6,19-trihydroxy-8(17)-labden-15,16-olide, 19-Ac 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060305	Nigakilactone H 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060306	Toxin HT2 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060307	Valtrate; 5?,6-Dihydro 	C22H32O8	424.209718	NA	MeJP	NA	NA
+MJ060308	Nesapidil 	C23H28N4O4	424.211055	NA	MeJP	NA	NA
+MJ060309	Peraquinsin 	C23H28N4O4	424.211055	NA	MeJP	NA	NA
+PJ001242	KMF 	C20H32N4O4S	424.2144	NA	PeJP	NA	NA
+MJ060310	Difenoxin 	C28H28N2O2	424.215078	NA	MeJP	NA	NA
+C07871	Difenoxin	C28H28N2O2	424.2151	NA	KEGG	NA	NA
+MJ060311	Procamine 	C17H28N8O5	424.218266	NA	MeJP	NA	NA
+MJ060312	Sunagrel 	C25H32N2O2S	424.218448	NA	MeJP	NA	NA
+FL1DA9NR0011	Adunctin E	C26H32O5	424.22497	151515-27-4	knapsack	NA	NA
+FL1DQUNI0002	Helihumulone	C26H32O5	424.22497	72247-83-7	knapsack	NA	NA
+FLICALNI0001	Licoricidin;5,2',4'-Trihydroxy-7-methoxy-6,3'-diprenylisoflavan	C26H32O5	424.22497	30508-27-1	knapsack	NA	NA
+MJ060313	2,4-Dihydroxy-6-[2-(4-hydroxyphenyl)ethyl]-3,5-bis(3-methyl-2-butenyl)benzoic acid; 2-Me ether 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060314	6-Hydroxy-15-nor-14-oxo-8(17),13(16)-labdadien-18-oic acid, 6-Benzoyl 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060315	Adunctin E 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060316	Antibiotic SF 2415B2 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060317	Carapa spirolactone 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060318	Cedrelone; 1,2-Dihydro 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060319	Ferulenol; 12'-Acetoxy 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060320	Ferulenol; 15'-Acetoxy 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060321	Helihumulone 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060322	Heliocide H1; 7-Me ether 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060323	Heliocide H2; 3-Me ether 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060324	Heliocide H3; 3-Me ether 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060325	Heliocide H4; 7-Me ether 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060326	Kanzonol H 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060327	Kopetdaghin; O-Ac 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060328	Neomarinone 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060329	Nimbocinol; 17-Hydroxy 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060330	O-(3-Hydroxy-7-drimen-11-yl)umbelliferone, Ac 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060331	O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, Ac 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060332	O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, O-Ac 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060333	Tecleanin 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060334	Vismione C; 7-Me ether, 3-O-de-Ac, 3-O-(3-methyl-2-butenyl) 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060335	Vismione M 	C26H32O5	424.224974	NA	MeJP	NA	NA
+MJ060336	Walsurin 	C26H32O5	424.224974	NA	MeJP	NA	NA
+C16986	Licoricidin	C26H32O5	424.225	NA	KEGG	NA	NA
+MJ060337	1-Octanol; O-[?-D-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C19H36O10	424.230847	NA	MeJP	NA	NA
+MJ060338	1-Octanol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H36O10	424.230847	NA	MeJP	NA	NA
+MJ060339	Valylamiclenomycylglutamine; ?-Carboxylic acid 	C20H32N4O6	424.232184	NA	MeJP	NA	NA
+MJ060340	Arthonin 	C25H32N2O4	424.236207	NA	MeJP	NA	NA
+MJ060341	Voacangine; 3-(2-Oxopropyl)(R-) 	C25H32N2O4	424.236207	NA	MeJP	NA	NA
+MJ060342	Polyneuridine; 12-Methoxy, N1,N4-di-Me, Et ester 	C25H33N2O4(+)	424.236207	NA	MeJP	NA	NA
+C15173	3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester	C23H37O5P	424.2379	NA	KEGG	NA	NA
+3260	beta-lactokinin	HIR	424.243	ACE inhibitor	Inhouse_peptide	NA	peptide
+7999	synthetic peptide	LHR	424.243	antioxidative	Inhouse_peptide	NA	peptide
+8059	synthetic peptide	RHI	424.243	antioxidative	Inhouse_peptide	NA	peptide
+8061	synthetic peptide	RHL	424.243	antioxidative	Inhouse_peptide	NA	peptide
+PJ001243	GVLH 	C19H32N6O5	424.2434	NA	PeJP	NA	NA
+HMDB05022	Pravastatin	C23H36O7	424.24609	http://www.hmdb.ca/metabolites/HMDB05022	HMDB	NA	NA
+HMDB05022	Pravastatin	C23H36O7	424.24609	HMDB05022	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05022	Pravastatin	C23H36O7	424.246094	NA	HMDB2010	NA	NA
+C01844	Pravastatin	C23H36O7	424.2461	NA	KEGG	NA	NA
+MJ060343	2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 14-Propanoyl 	C23H36O7	424.246103	NA	MeJP	NA	NA
+MJ060344	3,7-Epoxy-4,8,13-trihydroxy-15(17)-cembren-16,14-olide, 8-Me ether, 13-Ac 	C23H36O7	424.246103	NA	MeJP	NA	NA
+MJ060345	4,15:6,7-Diepoxy-1,8-dihydroxy-5-hirsutanone, 5?-Alcohol, 1-(2-hydroxyoctanoyl) 	C23H36O7	424.246103	NA	MeJP	NA	NA
+MJ060346	Cryptoporic acid A 	C23H36O7	424.246103	NA	MeJP	NA	NA
+MJ060347	Pravastatin 	C23H36O7	424.246103	NA	MeJP	NA	NA
+MJ060348	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Ac 	C23H36O7	424.246103	NA	MeJP	NA	NA
+MJ060349	Tylonolide 	C23H36O7	424.246103	NA	MeJP	NA	NA
+PJ001244	LHR 	C18H32N8O4	424.2547	NA	PeJP	NA	NA
+2820	PEP inhibitor	LPPV	424.256	NA	Inhouse_peptide	NA	peptide
+MJ060350	1-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one, 4-Me ether 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060351	17,19,22,24-Tetrahydroxyturriane; 4,5-Didehydro, 22-Me ether 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060352	17,19,22,24-Tetrahydroxyturriane; 6,7-Didehydro, 22-Me ether 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060353	2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 5'-Ketone, 13'-oxo 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060354	2-Ethynyl-A,19-dinorpregn-20-yne-2,17-diol dipropanoate 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060355	5,6-Epoxy-5,6,7,8-tetrahydro-3-hydroxy-8-oxo-10'-apo-?,?-carotenal 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060356	6,7-Didehydro-5,6-dihydro-3,5-dihydroxy-12'-apo-?,?-carotenal, 3-Ac 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060357	Adriaticone 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060358	Cystofuranoquinol; 5-Hydroxy 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060359	Cystoketalchromane; 4'-O-De-Me 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060360	Cystoseirol A 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060361	Dulcinol 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060362	Lygodinolide 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060363	Sargachromenol 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060364	Sargaquinal; Carboxylic acid 	C27H36O4	424.261359	NA	MeJP	NA	NA
+MJ060365	?-Tocotrienoloic acid, 3,4-Didehydro 	C27H36O4	424.261359	NA	MeJP	NA	NA
+PJ001245	PPVL 	C21H36N4O5	424.2686	NA	PeJP	NA	NA
+MJ060366	Devapamil 	C26H36N2O3	424.272593	NA	MeJP	NA	NA
+MJ060367	Sergolexole 	C26H36N2O3	424.272593	NA	MeJP	NA	NA
+C13763	Devapamil	C26H36N2O3	424.2726	NA	KEGG	NA	NA
+MJ060368	2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid 	C25H41ClO3	424.274422	NA	MeJP	NA	NA
+MJ060369	3,6,7,12-Tetrahydroxycholan-24-oic acid 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060370	3,7,12,19-Tetrahydroxycholan-24-oic acid 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060371	3,7,12,23-Tetrahydroxycholan-24-oic acid 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060372	3-Clerodene-7,15,16,18-tetrol, 15,16-Di-Ac 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060373	4-Cubebanol, O-[4-O-(2-Methylpropanoyl)-?-D-xylopyranoside] 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060374	6,13-Epoxy-4(18)-eunicellene-3,8,9,12-tetrol, 12-Butanoyl 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060375	6,13-Epoxy-4(18)-eunicellene-7,8,9,12-tetrol, 12-Butanoyl 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060376	8,13-Epoxy-11,14,15-labdanetriol, 14,15-Di-Ac 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060377	9,13:15,16-Diepoxy-6,15,16-labdanetriol, 15,16-Di-Me ether, 6-Ac 	C24H40O6	424.282489	NA	MeJP	NA	NA
+MJ060378	Byssomeruliol A 	C24H40O6	424.282489	NA	MeJP	NA	NA
+HMDB00307	1b-Hydroxycholic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00307	HMDB	NA	NA
+HMDB00311	3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00311	HMDB	NA	NA
+HMDB00316	2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00316	HMDB	NA	NA
+HMDB00340	3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00340	HMDB	NA	NA
+HMDB00367	3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00367	HMDB	NA	NA
+HMDB00377	3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00377	HMDB	NA	NA
+HMDB00399	3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00399	HMDB	NA	NA
+HMDB00433	1,3,7,12-Tetrahydroxycholan-24-oic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00433	HMDB	NA	NA
+HMDB00437	3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	http://www.hmdb.ca/metabolites/HMDB00437	HMDB	NA	NA
+C17651	alpha-Phocaecholic acid	C24H40O6	424.2825	NA	KEGG	NA	NA
+HMDB00307	1b-Hydroxycholic acid	C24H40O6	424.2825	HMDB00307	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00311	3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00311	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00316	2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00316	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00340	3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00340	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00367	3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00367	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00377	3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00377	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00399	3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00399	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00433	1,3,7,12-Tetrahydroxycholan-24-oic acid	C24H40O6	424.2825	HMDB00433	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00437	3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.2825	HMDB00437	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00307	1b-Hydroxycholic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00311	3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00316	2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00340	3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00367	3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00377	3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00399	3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00433	1,3,7,12-Tetrahydroxycholan-24-oic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB00437	3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB13158	1b,3a,7b-Trihydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+HMDB13192	3a,7b,21-Trihydroxy-5b-cholanoic acid	C24H40O6	424.282501	NA	HMDB2010	NA	NA
+MJ060379	Glutamine, N2-(17?-Hydroxy-9Z,12Z-octadecadienoyl) 	C23H40N2O5	424.293722	NA	MeJP	NA	NA
+HMDB11144	LPA(18:0e/0:0)	C21H45O6P	424.29538	NA	HMDB2010	NA	NA
+MJ060380	12-Hydroxy-26,27-dinorergosta-1,4,22-trien-3-one, Ac 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060381	14,15-Epoxyergosta-7,22-diene-3,6-dione 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060382	14-Hydroxyergosta-4,7,22-triene-3,6-dione 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060383	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; Me ether, (S)-4-isopropyl-1-methylcyclohexen-4-yl ester 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060384	4-Hydroxy-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzeneacetic acid 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060385	Dankasterone 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060386	Herbarulide 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060387	Minabeolide 1; 1,2-Dihydro 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060388	Sargaquinone; 9'-Methoxy 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060389	Sargaquinone; ?9'-Isomer, 11'-methoxy 	C28H40O3	424.297745	NA	MeJP	NA	NA
+MJ060390	Pifarnine 	C27H40N2O2	424.308978	NA	MeJP	NA	NA
+MJ060391	Unoprostone; Isopropyl ester 	C25H44O5	424.318874	NA	MeJP	NA	NA
+MJ060392	Suxemerid 	C24H44N2O4	424.330107	NA	MeJP	NA	NA
+C14153	alpha-Tocotrienol	C29H44O2	424.3341	NA	KEGG	NA	NA
+C14287	4,4'-Methylenebis(2,6-di-tert-butylphenol)	C29H44O2	424.3341	NA	KEGG	NA	NA
+MJ060393	22-Hydroxy-29-nor-2,4(23)-friedeladien-21-one; 22?-form 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060394	27-Nordammara-20,23-diene-3,25-dione 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060395	28-Nor-12,17-lupadiene-3,16-diol, 16-Ketone 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060396	29-Norcycloart-24-ene-3,23-dione 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060397	3-Hydroxy-28-norolean-12-en-16-one, 17,18-Didehydro 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060398	6-Hydroxystigmasta-4,24(28)-dien-3-one, 6-Ketone 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060399	6-Hydroxystigmasta-4,24-dien-3-one, 6-Ketone 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060400	Citreoanthrasteroid 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060401	Senexonol; 22-Ketone 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060402	Stigmasta-4,22-diene-3,6-dione 	C29H44O2	424.33413	NA	MeJP	NA	NA
+MJ060403	?-Tocotrienol 	C29H44O2	424.33413	NA	MeJP	NA	NA
+HMDB06327	Alpha-Tocotrienol	C29H44O2	424.334137	NA	HMDB2010	NA	NA
+HMDB06327	alpha-Tocotrienol	C29H44O2	424.33414	http://www.hmdb.ca/metabolites/HMDB06327	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06327	alpha-Tocotrienol	C29H44O2	424.33414	http://www.hmdb.ca/metabolites/HMDB06327	HMDB	NA	NA
+HMDB06327	alpha-Tocotrienol	C29H44O2	424.33414	http://www.hmdb.ca/metabolites/HMDB06327	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06327	alpha-Tocotrienol	C29H44O2	424.33414	HMDB06327	PFEM_hmdb_metabocards_official	NA	NA
+MJ060404	3,5-Dioxohexacosanoic acid 	C26H48O4	424.35526	NA	MeJP	NA	NA
+C16967	Glutinone	C30H48O	424.3705	NA	KEGG	NA	NA
+C16990	Lupenone	C30H48O	424.3705	NA	KEGG	NA	NA
+MJ060405	1,20(29)-Lupadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060406	1-Friedelen-3-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060407	11,13(18)-Oleanadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060408	12,18-Ursadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060409	12,20(29)-Lupadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060410	12,21-Oleanadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060411	12-Lupen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060412	12-Oleanen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060413	12-Oleanen-7-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060414	12-Ursen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060415	13(18)-Oleanen-11-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060416	13(18)-Oleanen-3-ol; 3?-form, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060417	14(18),17(20),24-Malabaricatrien-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060418	14,24-Dimethylergosta-8,25-dien-3-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060419	14-Taraxeren-16-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060420	14-Taraxeren-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060421	15,17(21)-Pachysanadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060422	16,21-Pachysanadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060423	16-Gammaceren-3-ol; 3?-form, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060424	17(21)-Hopen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060425	18,20(29)-Lupadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060426	18-Oleanen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060427	19(21)-Lupen-3-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060428	19(29)-Ursen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060429	19,28-Epoxy-2-oleanene 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060430	20(29),21-Lupadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060431	20(29)-Lupen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060432	20(30)-Taraxasten-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060433	20-Taraxasten-3-ol, Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060434	22(29)-Hopen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060435	22-Methylene-29-norcycloartan-3?-ol; 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060436	26-Methylstigmasta-5,22,25(27)-trien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060437	28,29-Cyclo-20,28-hopanediol, 20-Deoxy, 20,30-didehydro 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060438	3,10-Epoxy-4(23)-filicene 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060439	3,15,27-Triacontatriene-1,29-diyn-5-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060440	3-Filicen-2-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060441	3-Filicen-23-al 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060442	3-Friedelen-2-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060443	4,14-Dimethyl-9,19-cycloergost-25-en-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060444	4,14-Dimethylergosta-7,9(11),24(28)-trien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060445	4,14-Dimethylergosta-8,24(28)-dien-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060446	4-Methylstigmasta-8,14,24(28)-trien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060447	5(10)-Glutinen-3-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060448	5,13(18)-Oleanadien-3-ol; 3?-form 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060449	5,20(29)-Lupadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060450	5-Adianen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060451	5-Glutinen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060452	7,25-Epoxy-8-fernene 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060453	7,9(11)-Fernadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060454	7,9(11)-Swertadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060455	7-Baueren-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060456	7-Multifloren-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060457	8-Fernen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060458	8-Multifloren-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060459	9(11),12-Oleanadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060460	9(11),12-Ursadien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060461	9(11)-Arborinen-3-ol; 3?-form, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060462	9(11)-Fernen-12-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060463	9(11)-Fernen-20-ol; 20?-form, 20-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060464	9(11)-Fernen-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060465	9(11)-Fernen-7-ol, 7-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060466	Boehmerol; 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060467	Butyrospermol; Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060468	Cycloart-24-en-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060469	Cycloarta-16,24-dien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060470	Cycloeucalenol; 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060471	Cyclohomonervilasterol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060472	Cyclootochilone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060473	D-Friedomadeir-14-en-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060474	D:C-Friedomadeir-7-en-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060475	Dalbergia variabilis Triterpenoid 1 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060476	Dammara-20,24-dien-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060477	Eupha-1,25-dien-3-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060478	Hancolupenol; 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060479	Lanosta-7,9(11),24-trien-3-ol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060480	Nervisterol 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060481	Pichierenol; 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060482	Swertanone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060483	Theonellasterol; 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060484	Tirucalla-7,24-dien-3-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060485	Tirucalla-8,22-dien-3-ol, 3-Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060486	Tirucalla-8,24-dien-16-one 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060487	Tirucalla-8,24-dien-3-ol, Ketone 	C30H48O	424.370516	NA	MeJP	NA	NA
+MJ060488	Budmunchiamine A; 8'-Oxo, N1,N9,N13-tri-de-Me 	C24H48N4O2	424.377726	NA	MeJP	NA	NA
+MJ060489	Plakinamine A; 24,25-Dihydro 	C29H48N2	424.381749	NA	MeJP	NA	NA
+MJ060490	3-(1,6-Tetracosadienyloxy)-1,2-propanediol 	C27H52O3	424.391645	NA	MeJP	NA	NA
+MJ060491	24-Methyldammara-12,25-diene 	C31H52	424.406901	NA	MeJP	NA	NA
+MJ060492	C31 Botryococcene 	C31H52	424.406901	NA	MeJP	NA	NA
+MJ060493	Isoshowacene 	C31H52	424.406901	NA	MeJP	NA	NA
+MJ060494	Isowolficene 	C31H52	424.406901	NA	MeJP	NA	NA
+MJ060495	Showacene 	C31H52	424.406901	NA	MeJP	NA	NA
+MJ060496	Wolficene 	C31H52	424.406901	NA	MeJP	NA	NA
+MJ060497	Budmunchiamine B 	C25H52N4O	424.414112	NA	MeJP	NA	NA
+MJ060498	1-Docosanol; Hexanoyl 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060499	10-Octacosene-1,12-diol 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060500	16-Hydroxy-26-methyl-2-heptacosanone 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060501	2,4,6-Trimethylpentacosanoic acid 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060502	23-Methylpentacosanoic acid; Et ester 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060503	24-Hydroxy-4-octacosanone 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060504	28-Hydroxy-7-octacosanone 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060505	5-Hydroxy-9-octacosanone 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060506	7-Hydroxy-4-octacosanone 	C28H56O2	424.428031	NA	MeJP	NA	NA
+MJ060507	Octacosanoic acid 	C28H56O2	424.428031	NA	MeJP	NA	NA
+HMDB02348	Octacosanoic acid	C28H56O2	424.42804	http://www.hmdb.ca/metabolites/HMDB02348	HMDB	NA	NA
+HMDB02348	Octacosanoic acid	C28H56O2	424.42804	HMDB02348	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02348	Octacosanoic acid	C28H56O2	424.42804	NA	HMDB2010	NA	NA
+C08385	Nonacosan-10-ol	C29H60O	424.4644	NA	KEGG	NA	NA
+MJ060508	1-Methoxy-2,14,18-trimethylpentacosane 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060509	1-Methoxy-2,24-dimethylhexacosane 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060510	1-Methoxy-24-methylheptacosane 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060511	1-Nonacosanol 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060512	10-Nonacosanol 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060513	11-Nonacosanol 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060514	15-Nonacosanol 	C29H60O	424.464416	NA	MeJP	NA	NA
+MJ060515	9-Nonacosanol 	C29H60O	424.464416	NA	MeJP	NA	NA
+3736	NA	YPFGFYG	424.678	MH2+	Inhouse_peptide	NA	peptide
+3080	hemorphin-6	YPWTQR	424.7	MH2+	Inhouse_peptide	NA	peptide
+3403	ACE inhibitor	YPWTQR	424.7	MH2+	Inhouse_peptide	NA	peptide
+MJ060516	Epitizide 	C10H11ClF3N3O4S3	424.95523	NA	MeJP	NA	NA
+MJ060517	Aplysinketal B 	C14H21Br2NO4	424.983733	NA	MeJP	NA	NA
+MJ060518	Otimerate 	C10H9HgNO3S	425.000939	NA	MeJP	NA	NA
+MJ060519	Thiamin diphosphate 	C12H19N4O7P2S	425.044967	NA	MeJP	NA	NA
+MetaCyc03499	thiamine diphosphate [thiamine pyrophosphate;Thaimine pyrophosphate;TPP;thiamin-PPi;thiamin pyrophosphate;thiamin diphosphate;thiamine-PPi;ThPP;]	C12H19N4O7P2S1	425.044968	154-87-0	metacyc	NA	NA
+HMDB01372	Thiamine pyrophosphate	C12H19N4O7P2S	425.04498	http://www.hmdb.ca/metabolites/HMDB01372	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01372	Thiamine pyrophosphate	C12H19N4O7P2S	425.04498	http://www.hmdb.ca/metabolites/HMDB01372	HMDB	NA	NA
+HMDB01372	Thiamine pyrophosphate	C12H19N4O7P2S	425.04498	http://www.hmdb.ca/metabolites/HMDB01372	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01372	Thiamine pyrophosphate	C12H19N4O7P2S	425.04498	HMDB01372	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01372	Thiamine pyrophosphate	C12H19N4O7P2S	425.044983	NA	HMDB2010	NA	NA
+C00068	Thiamin diphosphate	C12H19N4O7P2S	425.045	NA	KEGG	NA	NA
+C00069	Alcohol	HOR	425.045	NA	KEGG	NA	NA
+C08426	Sinalbin	C14H19NO10S2	425.045	NA	KEGG	NA	NA
+MJ060520	3-Hydroxybenzyl glucosinolate 	C14H19NO10S2	425.045037	NA	MeJP	NA	NA
+MJ060521	4-Hydroxybenzyl glucosinolate 	C14H19NO10S2	425.045037	NA	MeJP	NA	NA
+MJ060522	Toltrazuril 	C18H14F3N3O4S	425.065711	NA	MeJP	NA	NA
+MJ060523	Glicondamide 	C18H20ClN3O5S	425.081219	NA	MeJP	NA	NA
+C03476	5,12-Dihydroxanthommatin	C20H15N3O8	425.0859	NA	KEGG	NA	NA
+MJ060524	Dihydroxanthommatin 	C20H15N3O8	425.085914	NA	MeJP	NA	NA
+MetaCyc03500	5,12-dihydroxanthommatin []	C20H15N3O8	425.085914	NA	metacyc	NA	NA
+MJ060525	(1,1-Cyclohexanedimethanamine-N,N')[ethanedioato(2-)-O,O']platinum 	C10H18N2O4Pt	425.091431	NA	MeJP	NA	NA
+MJ060526	Xestoquinolide B 	C22H19NO6S	425.093308	NA	MeJP	NA	NA
+MJ060527	Ebracteolatinoside A 	C18H19NO11	425.09581	NA	MeJP	NA	NA
+PJ001246	SCCN 	C13H23N5O7S2	425.1039	NA	PeJP	NA	NA
+MJ060528	Aristolactam II; N-?-D-Glucopyranoside 	C22H19NO8	425.111066	NA	MeJP	NA	NA
+MJ060529	Aureonuclemycin 	C16H19N5O9	425.118277	NA	MeJP	NA	NA
+MJ060530	Tulopafant 	C25H19N3O2S	425.119797	NA	MeJP	NA	NA
+MJ060531	Emetonium(1+); Iodide 	C20H28INO	425.121557	NA	MeJP	NA	NA
+MJ060532	2-[[(2,4-Dimethoxyphenyl)methyl]sulfinyl]-N-(2,6-dimethyl-4-pyridinyl)-3-pyridinecarboxamide 	C22H23N3O4S	425.140926	NA	MeJP	NA	NA
+PJ001247	DEY 	C18H23N3O9	425.1434	NA	PeJP	NA	NA
+HMDB02061	Hyaluronic acid	C16H27NO12	425.15332	http://www.hmdb.ca/metabolites/HMDB02061	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02061	Hyaluronic acid	C16H27NO12	425.15332	http://www.hmdb.ca/metabolites/HMDB02061	HMDB	NA	NA
+HMDB02061	Hyaluronic acid	C16H27NO12	425.15332	http://www.hmdb.ca/metabolites/HMDB02061	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02061	Hyaluronic acid	C16H27NO12	425.15332	HMDB02061	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02061	Hyaluronic acid	C16H27NO12	425.15332	NA	HMDB2010	NA	NA
+MJ060533	Oxypyrronium(1+), Bromide 	C21H32BrNO3	425.156556	NA	MeJP	NA	NA
+MJ060534	Fanserin 	C23H24FN3O2S	425.157325	NA	MeJP	NA	NA
+MJ060535	Domperidone 	C22H24ClN5O2	425.161852	NA	MeJP	NA	NA
+PJ001248	EMF 	C19H27N3O6S	425.1621	NA	PeJP	NA	NA
+MJ060536	Picumeterol 	C21H29Cl2N3O2	425.163682	NA	MeJP	NA	NA
+2870	opioid peptide	YPF	425.183	antibacterial	Inhouse_peptide	NA	peptide
+MJ060537	Isotylocrebrine, 14?-Hydroxy, N-oxide 	C24H27NO6	425.183837	NA	MeJP	NA	NA
+MJ060538	Mecinarone 	C24H27NO6	425.183837	NA	MeJP	NA	NA
+MJ060539	Nisamycin 	C24H27NO6	425.183837	NA	MeJP	NA	NA
+MJ060540	Cyclotryprostatin A; 13-Me ether 	C23H27N3O5	425.19507	NA	MeJP	NA	NA
+PJ001249	PFY 	C23H27N3O5	425.1951	NA	PeJP	NA	NA
+PJ001250	LMY 	C20H31N3O5S	425.1985	NA	PeJP	NA	NA
+8063	synthetic peptide	RHN	425.2019	antioxidative	Inhouse_peptide	NA	peptide
+PJ001251	AAQH 	C17H27N7O6	425.2023	NA	PeJP	NA	NA
+MJ060541	Parsonsianine; 16-Deoxy 	C21H31NO8	425.204966	NA	MeJP	NA	NA
+MJ060542	Syneilesine; O14-Ac 	C21H31NO8	425.204966	NA	MeJP	NA	NA
+MJ060543	Losoxantrone 	C22H27N5O4	425.206304	NA	MeJP	NA	NA
+3411	ACE inhibitor	PPHQIYP	425.2095	MH2+	Inhouse_peptide	NA	peptide
+PJ001252	NHR 	C16H27N9O5	425.2135	NA	PeJP	NA	NA
+MJ060544	Carfenazine 	C24H31N3O2S	425.213697	NA	MeJP	NA	NA
+MJ060545	Circinatin 	C20H31N3O7	425.2162	NA	MeJP	NA	NA
+7560	ACE inhibitor from soy hydrolysate	FFL	425.22	antioxidative	Inhouse_peptide	NA	peptide
+3043	inhibitor of fibrinogen and thrombin coagulation	GPRP	425.226	celiac toxic	Inhouse_peptide	NA	peptide
+PJ001253	PPVN 	C19H31N5O6	425.2275	NA	PeJP	NA	NA
+PJ001254	LFF 	C24H31N3O4	425.2315	NA	PeJP	NA	NA
+MJ060546	Nafoxidine 	C29H31NO2	425.235479	NA	MeJP	NA	NA
+C14212	Nafoxidine	C29H31NO2	425.2355	NA	KEGG	NA	NA
+PJ001255	GPPR 	C18H31N7O5	425.2387	NA	PeJP	NA	NA
+MJ060547	Amoproxan 	C22H35NO7	425.241352	NA	MeJP	NA	NA
+MJ060548	Delbine 	C22H35NO7	425.241352	NA	MeJP	NA	NA
+EUR809	Lyso PE 14:0 monoisotopic mass 	C19H40NO7P	425.254242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR821	Lyso PE 15:0 [M-H-CH3]-	C20H42NO7P	425.254242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR809	Lyso PE 14:0 monoisotopic mass 	C19H40NO7P	425.254242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR821	Lyso PE 15:0 [M-H-CH3]-	C20H42NO7P	425.254242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR809	Lyso PE 14:0 monoisotopic mass 	C19H40NO7P	425.254242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR821	Lyso PE 15:0 [M-H-CH3]-	C20H42NO7P	425.254242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB11470	LysoPE(0:0/14:0)	C19H40NO7P	425.254242	NA	HMDB2010	NA	NA
+HMDB11500	LysoPE(14:0/0:0)	C19H40NO7P	425.254242	NA	HMDB2010	NA	NA
+EUR809	Lyso PE 14:0 monoisotopic mass 	C19H40NO7P	425.254242	masses lipides attendues	Inhousejuil11	NA	NA
+EUR821	Lyso PE 15:0 [M-H-CH3]-	C20H42NO7P	425.254242	masses lipides attendues	Inhousejuil11	NA	NA
+C11794	Diprenorphine	C26H35NO4	425.2566	NA	KEGG	NA	NA
+MJ060549	Aurachin G; 3?-Methoxy, 1',2'-dihydro 	C26H35NO4	425.256608	NA	MeJP	NA	NA
+MJ060550	Diprenorphine 	C26H35NO4	425.256608	NA	MeJP	NA	NA
+MJ060551	Diproteverine 	C26H35NO4	425.256608	NA	MeJP	NA	NA
+MJ060552	Lythranidine 	C26H35NO4	425.256608	NA	MeJP	NA	NA
+MJ060553	Piriprost 	C26H35NO4	425.256608	NA	MeJP	NA	NA
+MJ060554	21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,21-dione, 3-Ketone 	C27H39NO3	425.292994	NA	MeJP	NA	NA
+MJ060555	Jervine 	C27H39NO3	425.292994	NA	MeJP	NA	NA
+MJ060556	Petisidinine 	C27H39NO3	425.292994	NA	MeJP	NA	NA
+MJ060557	Veralodine 	C27H39NO3	425.292994	NA	MeJP	NA	NA
+C10811	Jervine	C27H39NO3	425.293	NA	KEGG	NA	NA
+CJpos0789	Cholic acid [(M+H)+(NH3)]+	C24H44O5N	425.313575	C18rt(min)=9.25 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0789	Cholic acid [(M+H)+(NH3)]+	C24H44O5N	425.313575	C18rt(min)=9.25 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ060558	15-Azasterol; 16-Oxo 	C28H43NO2	425.329379	NA	MeJP	NA	NA
+MJ060559	Mycalazoles; Mycalazole 3 	C28H43NO2	425.329379	NA	MeJP	NA	NA
+HMDB05065	Oleoylcarnitine	C25H47NO4	425.350494	NA	HMDB2010	NA	NA
+HMDB06351	Vaccenyl carnitine	C25H47NO4	425.350494	NA	HMDB2010	NA	NA
+HMDB06464	Elaidic carnitine	C25H47NO4	425.350494	NA	HMDB2010	NA	NA
+HMDB13338	11Z-Octadecenylcarnitine	C25H47NO4	425.350494	NA	HMDB2010	NA	NA
+HMDB06464	Elaidic carnitine	C25H47NO4	425.35052	http://www.hmdb.ca/metabolites/HMDB06464	HMDB	NA	NA
+HMDB06464	Elaidic carnitine	C25H47NO4	425.35052	HMDB06464	PFEM_hmdb_metabocards_official	NA	NA
+MJ060560	4-Methyl-15-azasterol 	C29H47NO	425.365765	NA	MeJP	NA	NA
+HMDB01395	Ceramide	C26H51NO3	425.3869	http://www.hmdb.ca/metabolites/HMDB01395	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01395	Ceramide	C26H51NO3	425.3869	http://www.hmdb.ca/metabolites/HMDB01395	HMDB	NA	NA
+HMDB01395	Ceramide	C26H51NO3	425.3869	http://www.hmdb.ca/metabolites/HMDB01395	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01395	Ceramide	C26H51NO3	425.3869	HMDB01395	PFEM_hmdb_metabocards_official	NA	NA
+MJ060561	1,1,3,3-Tetrabromo-2-heptanone 	C7H10Br4O	425.746515	NA	MeJP	NA	NA
+MJ060562	4-Hydroxy-3,5-diiodobenzenesulfonic acid 	C6H4I2O4S	425.791966	NA	MeJP	NA	NA
+MJ060563	2,10-Dibromo-3-chloro-5,10-epoxy-8-chamigren-7-ol 	C15H21Br2ClO2	425.959682	NA	MeJP	NA	NA
+MJ060564	2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigren-5-ol 	C15H21Br2ClO2	425.959682	NA	MeJP	NA	NA
+MJ060565	Chlorisondamine(2+); Dichloride 	C14H20Cl6N2	425.975764	NA	MeJP	NA	NA
+MJ060566	Psoromic acid; 2,7-Dichloro, O-de-Me, Me ester 	C18H12Cl2O8	425.990922	NA	MeJP	NA	NA
+MJ060567	Ellagic acid; 2-(2,3,4-Trihydroxyphenyl) ether 	C20H10O11	426.022311	NA	MeJP	NA	NA
+FL5FECGSS001	Axillarin 7-sulfate;Quercetagetin 3,6-dimethyl ether 7-sulfate;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-7-(sulfooxy)-4H-1-benzopyran-4-one	C17H14O11S	426.02568	737749-32-5	knapsack	NA	NA
+FL5FECNSS005	Eupatolitin 3-O-sulfate	C17H14O11S	426.02568	74552-02-6	knapsack	NA	NA
+FL5FECNSS006	Spinacetin 3-O-sulfate	C17H14O11S	426.02568	111348-30-2	knapsack	NA	NA
+MJ060568	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-Sulfate 	C17H14O11S	426.025681	NA	MeJP	NA	NA
+MJ060569	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-Sulfate 	C17H14O11S	426.025681	NA	MeJP	NA	NA
+C17388	L-Galacturonic acid calcium salt	C12H18CaO14	426.0322	NA	KEGG	NA	NA
+C17477	D-Galacturonic acid calcium salt	C12H18CaO14	426.0322	NA	KEGG	NA	NA
+MJ060570	Etofamide 	C19H20Cl2N2O5	426.074927	NA	MeJP	NA	NA
+C05526	S-Glutathionyl-L-cysteine	C13H22N4O8S2	426.0879	NA	KEGG	NA	NA
+PJ001256	SCCD 	C13H22N4O8S2	426.0879	NA	PeJP	NA	NA
+MetaCyc03501	S-glutathionyl-L-cysteine [glutathione-L-cysteine mixed-disulfide;]	C13H22N4O8S2	426.087905	NA	metacyc	NA	NA
+HMDB00656	Cysteineglutathione disulfide	C13H22N4O8S2	426.08792	http://www.hmdb.ca/metabolites/HMDB00656	HMDB	NA	NA
+HMDB00656	Cysteineglutathione disulfide	C13H22N4O8S2	426.08792	HMDB00656	PFEM_hmdb_metabocards_official	NA	NA
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	PFEM_hmdb_metabocards_urine	NA	urine
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+TEST005	 cys-GSH (cystéine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	HMDB	NA	NA
+HMDB00656	Cysteineglutathione disulfide	C13H22N4O8S2	426.087921	NA	HMDB2010	NA	NA
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	Inhouse_PFEM	NA	NA
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	PFEM_hmdb_metabocards_blood	NA	blood
+TEST005	 cys-GSH (cysteine gluthatione disulfide ?)	C13H22N4O8S2	426.087921	http://www.hmdb.ca/metabolites/HMDB00656	PFEM_hmdb_metabocards_official	NA	NA
+MJ060571	Eustoside 	C16H23ClO11	426.092889	NA	MeJP	NA	NA
+MJ060572	Barbamide; Dechloro 	C20H24Cl2N2O2S	426.093554	NA	MeJP	NA	NA
+FL63AANS0004	Epiafzelechin 3-O-gallate	C22H18O9	426.09508	108907-43-3	knapsack	NA	NA
+FL63AGNS0015	Epigallocatechin 3-O-(4-hydroxybenzoate)	C22H18O9	426.09508	159390-94-0	knapsack	NA	NA
+MJ060573	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxybenzoyl) 	C22H18O9	426.095082	NA	MeJP	NA	NA
+MJ060574	3,4',5,7-Tetrahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O9	426.095082	NA	MeJP	NA	NA
+MJ060575	Isidiophorin 	C22H18O9	426.095082	NA	MeJP	NA	NA
+MJ060576	Maggiemycin 	C22H18O9	426.095082	NA	MeJP	NA	NA
+MJ060577	[p-Terphenyl]-2',3,3',4,4'',5',6'-heptol; 2',3'-Di-Ac 	C22H18O9	426.095082	NA	MeJP	NA	NA
+PJ001257	ACCM 	C14H26N4O5S3	426.1066	NA	PeJP	NA	NA
+MJ060578	13-Chloro-3,10-epoxy-8,11,15-trihydroxy-2,4-germacradien-12,6-olide, 8-Angeloyl 	C20H23ClO8	426.108145	NA	MeJP	NA	NA
+MJ060579	Campestroside 	C19H22O11	426.116211	NA	MeJP	NA	NA
+MJ060580	Hisphen 	C19H24Cl2N4O3	426.122546	NA	MeJP	NA	NA
+PJ001258	SSCM 	C14H26N4O7S2	426.1243	NA	PeJP	NA	NA
+MJ060581	Fenbenicillin 	C22H22N2O5S	426.124942	NA	MeJP	NA	NA
+MJ060582	N,N'-Bis(4-nitrophenyl)urea; Compd. wtih 4,6-Dimethyl-2-pyrimidinol (1:1) 	C19H18N6O6	426.128782	NA	MeJP	NA	NA
+FL3FFGNP0002	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C23H22O8	426.13146	259814-41-0	knapsack	NA	NA
+FL5FFCNI0006	5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone	C23H22O8	426.13146	132550-33-5	knapsack	NA	NA
+FLIFALNF0003	Villosin;6-Hydroxysumatrol	C23H22O8	426.13146	65160-15-8	knapsack	NA	NA
+FLIFHXNF0008	Dalbinol	C23H22O8	426.13146	41993-79-7	knapsack	NA	NA
+FLIFHXNF0009	Villosinol;12a-Hydroxysumatrol	C23H22O8	426.13146	60077-63-6	knapsack	NA	NA
+FLIFHXNP0003	11-Hydroxytephrosin	C23H22O8	426.13146	72458-85-6	knapsack	NA	NA
+MJ060583	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl, 3-Ac 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060584	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,4-Dibenzoyl, 1'-Ac 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060585	3,3',4',5,7,8-Hexahydroxyflavone; 3',4'-Methylene, 3,8-di-Me ether, 7-O-(3-methyl-2-butenyl) 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060586	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',3-Dibenzoyl, 1-Ac 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060587	5-Hydroxy-2,2-dimethyl-8-(3,4,5-trihydroxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one; 8-Methoxy, 3',5'-di-Me ether 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060588	?-Toxicarol; 12a-Hydroxy 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060589	Austocystin B; 3a-Hydroxy, 4-Me ether 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060590	Caloxanthone D 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060591	Dalbinol 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060592	Hemidesminine 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060593	Jatrodiene 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060594	Lasiocarpin A 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060595	Sumatrol; 6?-Hydroxy 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060596	Tephrosin, 13R-Hydroxy 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060597	Tephrosin, 6-Hydroxy 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060598	Villol; 6-Deoxy 	C23H22O8	426.131467	NA	MeJP	NA	NA
+MJ060599	Meclorisone 	C22H28Cl2O4	426.136464	NA	MeJP	NA	NA
+MJ060600	Mometasone 	C22H28Cl2O4	426.136464	NA	MeJP	NA	NA
+C07816	Mometasone	C22H28Cl2O4	426.1365	NA	KEGG	NA	NA
+MJ060601	Polyoxin I 	C17H22N4O9	426.138678	NA	MeJP	NA	NA
+MJ060602	1-Cyclopropyl-8-(difluoromethoxy)-7-(2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid 	C23H20F2N2O4	426.139113	NA	MeJP	NA	NA
+C02811	Anhydrotetracycline	C22H22N2O7	426.1427	NA	KEGG	NA	NA
+MetaCyc03502	anhydrotetracycline []	C22H22N2O7	426.142701	4496-85-9	metacyc	NA	NA
+MJ060603	Chloroxymorphamine 	C21H28Cl2N2O3	426.147698	NA	MeJP	NA	NA
+HMDB03556	Chitobiose	C15H26N2O12	426.14856	http://www.hmdb.ca/metabolites/HMDB03556	HMDB	NA	NA
+HMDB03556	Chitobiose	C15H26N2O12	426.14856	HMDB03556	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03556	Chitobiose	C15H26N2O12	426.14856	NA	HMDB2010	NA	NA
+MJ060604	N-[[(9-?-D-Ribofuranosyl-9H-purin-6-yl)amino]carbonyl]threonine; N6-Me 	C16H22N6O8	426.149911	NA	MeJP	NA	NA
+MJ060605	3-[[6-[3-(Aminoiminomethyl)phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N-dimethylbenzamide 	C22H20F2N4O3	426.150346	NA	MeJP	NA	NA
+MJ060606	2,3-Dihydro-7-hydroxy-2,2-dimethyl-4-oxo-4H-1-benzopyran-6-propanoic acid; O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060607	4-Hydroxy-2-pentanone, O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060608	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 3'-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060609	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060610	Aloesinol, 1'-Hydroxy, 7-Me ether 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060611	Brucein E; 18-Hydroxy, 2-ketone 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060612	Eurycomanol; 13,18-Dihydro, 13-hydroxy, 2-ketone 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060613	Hypurticin 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060614	Indaquassin X 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060615	Peucedanol, 2'-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060616	Peucedanol, 3'-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060617	Peucedanol, 7-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060618	Peucedanol, 3'-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060619	Peucedanol, 7-O-?-D-Glucopyranoside 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060620	Synargentolide D; 5-Deoxy, stereoisomer, 1',2'-di-Ac 	C20H26O10	426.152597	NA	MeJP	NA	NA
+MJ060621	3-Ethyl 5-methyl 1,4-dihydro-2-(1H-imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate 	C21H22N4O6	426.153934	NA	MeJP	NA	NA
+PJ001259	NMY 	C18H26N4O6S	426.1573	NA	PeJP	NA	NA
+MJ060622	Cetotiamine 	C18H26N4O6S	426.157305	NA	MeJP	NA	NA
+MJ060623	Ticabesone 	C22H28F2O4S	426.167636	NA	MeJP	NA	NA
+FL1DHYNP0001	Ponganone VIII;3-(1,3-Benzodioxol-5-yl)-1-(5,8-dimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methoxy-1-propanone	C24H26O7	426.16785	142608-94-4	knapsack	NA	NA
+FL2F19NC0002	(+)-Tephrorin A;Tephrorin A	C24H26O7	426.16785	261767-62-8	knapsack	NA	NA
+MJ060624	1,3,5,6-Tetrahydroxy-2,4-diprenylxanthone; 7-Methoxy 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060625	1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxyxanthone, 6',7'-Epoxy, 2-Me ether 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060626	1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxyxanthone, ?5'-Isomer, 7'-hydroxy, 2-Me ether 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060627	11-Hydroxy-?-isomangostin 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060628	Calabaxanthone; 3,4-Dihydro, 3,9-dihydroxy 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060629	Citrunobin; 3,5-Dimethoxy, 4-Me ether 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060630	Decursidinol, 4'-Angeloyl, 3'-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060631	Decursidinol, O,O-Diangeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060632	Decursidinol, 3'-O-(3-Methyl-2-butenoyl), 4'-angeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060633	Decursidinol, 4'-O-(3-Methyl-2-butenoyl), 3'-O-angeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060634	Decursidinol, Diangeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060635	Decursidinol, O,O-Bis(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060636	Garcinisidone A 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060637	Glechonin A 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060638	Khellactone, 10-Angeloyl, 9-O-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060639	Khellactone, 9-O-(2,7-Dimethyl-5-oxo-2,6-octadienoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060640	Khellactone, 9-O-Angeloyl, 10-O-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060641	Khellactone, Bis-O-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060642	Khellactone, Diangeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060643	Khellactone, 9-Angeloyl, 10-O-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060644	Khellactone, Bis-O-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060645	Khellactone, Diangeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060646	Oxysiphulin 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060647	Ponganone VIII 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060648	Secomacrotolide; 6?-Cinnamoyloxy, 1,10-dihydro, 1-oxo 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060649	Siphulin 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060650	Spirosenbergiolide 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060651	Vaginidiol; Bis-O-(3-methyl-2-butenoyl) 	C24H26O7	426.167853	NA	MeJP	NA	NA
+MJ060652	Vaginidiol; O,O-Diangeloyl 	C24H26O7	426.167853	NA	MeJP	NA	NA
+C09116	Archangelicin	C24H26O7	426.1679	NA	KEGG	NA	NA
+C09261	Disenecionyl cis-khellactone	C24H26O7	426.1679	NA	KEGG	NA	NA
+PJ001260	APCH 	C17H26N6O5S	426.1686	NA	PeJP	NA	NA
+MJ060653	2-[6-Oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1(6H)-pyridazinyl]-1-cyclohexene-1-acetic acid 	C25H22N4O3	426.16919	NA	MeJP	NA	NA
+MJ060654	4-Hydroxy-2-pentanone, 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H30O12	426.173726	NA	MeJP	NA	NA
+PJ001261	GSTY 	C18H26N4O8	426.1751	NA	PeJP	NA	NA
+MJ060655	Kopsaporine 	C23H26N2O6	426.179086	NA	MeJP	NA	NA
+MJ060656	Narceine imide 	C23H26N2O6	426.179086	NA	MeJP	NA	NA
+MJ060657	Panamesine 	C23H26N2O6	426.179086	NA	MeJP	NA	NA
+MJ060658	Vomicine; 11-Methoxy, 19?,20?-epoxide 	C23H26N2O6	426.179086	NA	MeJP	NA	NA
+MJ060659	Vomicine; 19?,20?-Epoxide, 15-hydroxy, Me ether 	C23H26N2O6	426.179086	NA	MeJP	NA	NA
+4012	LDC, alpha-chain	CKDDQNPH	426.17935	MH2+	Inhouse_peptide	NA	peptide
+MJ060660	Isoperrottetin A 	C28H26O4	426.183109	NA	MeJP	NA	NA
+MJ060661	Perrottetin E 	C28H26O4	426.183109	NA	MeJP	NA	NA
+8055	synthetic peptide	RHD	426.1859	antioxidative	Inhouse_peptide	NA	peptide
+PJ001262	AAEH 	C17H26N6O7	426.1863	NA	PeJP	NA	NA
+MJ060662	Mespirenone 	C25H30O4S	426.18648	NA	MeJP	NA	NA
+MJ060663	1(10),4,11(13)-Germacratrien-12,6-olid-14-oic acid, 11,13-Dihydro, ?-D-glucopyranosyl ester 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060664	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 15-Aldehyde, 1-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060665	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060666	15-Hydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060667	3,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060668	3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060669	3,11-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060670	3,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 14-Aldehyde, 3-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060671	3,4-Dihydroxy-10(14),11(13)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060672	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 11,13-Didehydro, 3-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060673	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060674	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060675	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060676	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 8-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060677	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro, 3-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060678	3,9-Dihydroxy-10(14)-guaien-12,6-olide, 4,15-Didehydro, 9-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060679	8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060680	Abscisic acid, ?-D-Glucopyranosyl ester 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060681	Napiferoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060682	Onitisin, 4-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060683	Pterosin D, 14-Hydroxy, 4-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060684	Pterosin D, 15-Hydroxy, 4-O-?-D-glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+MJ060685	Pterosin L, 4-O-?-D-Glucopyranoside 	C21H30O9	426.188982	NA	MeJP	NA	NA
+C15970	Abscisic acid glucose ester	C21H30O9	426.189	NA	KEGG	NA	NA
+PJ001263	NFF 	C22H26N4O5	426.1903	NA	PeJP	NA	NA
+MJ060686	Cyanonaphthyridinomycin 	C22H26N4O5	426.190319	NA	MeJP	NA	NA
+MJ060687	Ripisartan 	C23H22N8O	426.191657	NA	MeJP	NA	NA
+MJ060688	[2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone 	C27H26N2O3	426.194342	NA	MeJP	NA	NA
+MJ060689	Iloperidone 	C24H27FN2O4	426.195485	NA	MeJP	NA	NA
+PJ001264	DHR 	C16H26N8O6	426.1976	NA	PeJP	NA	NA
+2938	myelopeptide	VDPP	426.1989	celiac toxic	Inhouse_peptide	NA	peptide
+FL1DACNI0001	2',4',6',3,4-Pentahydroxy- 3',5-diprenyldihydrochalcone	C25H30O6	426.20423	205109-20-2	knapsack	NA	NA
+FL1DEANI0001	3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone	C25H30O6	426.20423	76015-50-4	knapsack	NA	NA
+FL1DEANI0002	4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone	C25H30O6	426.20423	76015-51-5	knapsack	NA	NA
+FL2FA8NI0008	Kushenol T;(2S)-5,7,2'-Trihydroxy-8-(5-hydroxy-2-isopropenyl-5-methylhexyl)flavanone	C25H30O6	426.20423	254886-73-2	knapsack	NA	NA
+FL6F1CNP0003	Broussoflavan A	C25H30O6	426.20423	160262-53-3	knapsack	NA	NA
+MJ060690	1,3,8-Trihydroxy-6-methylxanthone; 3-O-(7-Methoxy-3,7-dimethyl-2-octenyl)(E-) 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060691	1-[3-(3,7-Dimethyl-2,6-octadienyl)-2,4,5,6-tetrahydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060692	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(6,7-Epoxy-2,6-dimethyl-2-octenoyl)(E-) 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060693	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl)(E-) 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060694	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(7-Hydroxy-2-methyl-6-methylene-2-octenoyl)(E-) 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060695	3,6-Dihydroxyfuranoeremophil-1(10)-en-9-one, 3,6-Diangeloyl 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060696	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3,8-Ditigloyl 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060697	Ammodoremin 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060698	Andibenin A; 6'-De-hydroxy, 6',7'-didehydro 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060699	Bergamottin; ?5'-Isomer, 7'-(1-ethoxyethoxy) 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060700	Cochliobolic acid 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060701	Cyclolycoserone; 10'-Hydroxy 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060702	Doremone A 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060703	Ecklonoquinone A 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060704	Ecklonoquinone B 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060705	Isolycoserone; 10'S-Hydroxy 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060706	Kazinol B; 3',4'-Dihydro, 3'?,4'?-dihydroxy 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060707	Kushenol A; 4'',5''-Dihydro, 5''-hydroxy 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060708	Lycoserone; 10'-Hydroxy 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060709	Neoaustin 	C25H30O6	426.204238	NA	MeJP	NA	NA
+MJ060710	Pinoresinol, 4-O-(3-Methyl-2-butenyl) 	C25H30O6	426.204238	NA	MeJP	NA	NA
+3979	ACE inhibitor	VLDTDYK	426.2049	MH2+	Inhouse_peptide	NA	peptide
+MJ060711	Paliperidone 	C23H27FN4O3	426.206718	NA	MeJP	NA	NA
+MJ060712	Perospirone 	C23H30N4O2S	426.208946	NA	MeJP	NA	NA
+MJ060713	1-Hexanol; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C18H34O11	426.210111	NA	MeJP	NA	NA
+MJ060714	1-Hexanol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C18H34O11	426.210111	NA	MeJP	NA	NA
+MJ060715	4-Methyl-1-pentanol; O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C18H34O11	426.210111	NA	MeJP	NA	NA
+PJ001265	PPVD 	C19H30N4O7	426.2115	NA	PeJP	NA	NA
+MJ060716	11-Methoxyyohimbine; O-Ac 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060717	Cathovaline 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060718	Dihydrocorymine; 3-Epimer, O17-Ac 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060719	Holstiine; Me ether, 10-methoxy 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060720	Minovincinine, 11-Methoxy, O-Ac 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060721	Obscurinervine; 22-Deethyl-22-methyl, 14,15-dihydro 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060722	Pleiocarpine; 12-Methoxy 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060723	Strychnobrasiline; 10,11-Dimethoxy 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060724	Vindolidine 	C24H30N2O5	426.215472	NA	MeJP	NA	NA
+MJ060725	Echitamine; 17-Ac 	C24H31N2O5(+)	426.215472	NA	MeJP	NA	NA
+MJ060726	Reserpiline; 3-Epimer, N4-Me 	C24H31N2O5(+)	426.215472	NA	MeJP	NA	NA
+MJ060727	Reserpiline; N4-Me 	C24H31N2O5(+)	426.215472	NA	MeJP	NA	NA
+MJ060728	5,6,7,8-Tetrahydro-2-propyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-cycloheptimidazolone 	C25H26N6O	426.216809	NA	MeJP	NA	NA
+PJ001266	GTLH 	C18H30N6O6	426.2227	NA	PeJP	NA	NA
+MJ060729	2,8,9,11,14-Pentahydroxy-5-briaren-18,7-olide, 9-Ac 	C22H34O8	426.225368	NA	MeJP	NA	NA
+MJ060730	7,20-Epoxy-1,6,7,15,16,17-kauranehexol, 17-Ac 	C22H34O8	426.225368	NA	MeJP	NA	NA
+MJ060731	7,20-Epoxy-6,7,14,15,16,17-kauranehexol, 17-Ac 	C22H34O8	426.225368	NA	MeJP	NA	NA
+MJ060732	Cinnzeylanol; 1-Ac 	C22H34O8	426.225368	NA	MeJP	NA	NA
+MJ060733	Terephthalamidine 	C24H26N8	426.228042	NA	MeJP	NA	NA
+MJ060734	Kalihinol A; 10-Formamide, 5-isocyanate 	C22H35ClN2O4	426.228535	NA	MeJP	NA	NA
+MJ060735	Darifenacin 	C28H30N2O2	426.230728	NA	MeJP	NA	NA
+MJ060736	1,9-Dihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-Ac 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060737	4,4'-Oxybisbenzoic acid; Dihexyl ester 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060738	7,21-Dihydroxy-24,25,26,27-tetranor-3-oxoapotirucalla-14,20(22)-dien-23,21-olide, 1,2-Didehydro 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060739	Deflectin 2b 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060740	Farnochrol 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060741	Fekrynol; O-Ac 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060742	Ouabanginone 	C26H34O5	426.240624	NA	MeJP	NA	NA
+MJ060743	Strongylophorine 6 	C26H34O5	426.240624	NA	MeJP	NA	NA
+7500	ACE inhibitor from b-CN	SLVLPVPE	426.241	MH2+	Inhouse_peptide	NA	peptide
+MJ060744	Oxatomide 	C27H30N4O	426.241961	NA	MeJP	NA	NA
+PJ001267	PPTL 	C20H34N4O6	426.2479	NA	PeJP	NA	NA
+MJ060745	Fexicaine 	C25H34N2O4	426.251857	NA	MeJP	NA	NA
+MJ060746	3,5,6,10,14,16-Grayanotoxanehexol, 14-Propanoyl 	C23H38O7	426.261753	NA	MeJP	NA	NA
+MJ060747	8,15,18-Labdanetriol, 18-Carboxylic acid, 15-malonyl ester 	C23H38O7	426.261753	NA	MeJP	NA	NA
+MJ060748	Protylonolide; 19,23-Dihydroxy 	C23H38O7	426.261753	NA	MeJP	NA	NA
+MJ060749	Angolide 	C22H38N2O6	426.272986	NA	MeJP	NA	NA
+C08581	Azafrin	C27H38O4	426.277	NA	KEGG	NA	NA
+MJ060750	17,19,22,24-Tetrahydroxyturriane; 22-Me ether 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060751	3,4-Dihydroxy-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzoic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060752	3,4-Dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)benzoic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060753	8(17),13-Labdadiene-6,15,18-triol, 6-Benzoyl 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060754	9-(3,4-Dihydro-6-hydroxy-2,8-dimethyl-2H-1-benzopyran-2-yl)-6-methyl-2-(4-methyl-3-pentenyl)-2,6-nonadienoic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060755	Adriaticone; Hydroquinone 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060756	Antibiotic BR 050; 2-Ketone 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060757	Azafrin 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060758	Comnostin A; 23-Aldehyde 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060759	Comnostin E 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060760	Desmarestial 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060761	Inorolide A; 24-Deoxy, 24,25-didehydro 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060762	Kombic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060763	Noscomin 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060764	Papuaforin C 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060765	Sargahydroquinoic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060766	Sargaquinone; 8',9'-Dihydroxy 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060767	Sargatriol 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060768	Spirost-4-ene-3,12-dione 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060769	Strongylophorine 5; 19-Carboxylic acid, Me ether 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060770	Stypoldione 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060771	Stypoquinonic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060772	Subglutinol A 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060773	UFC 6401 	C27H38O4	426.277009	NA	MeJP	NA	NA
+MJ060774	?-Tocotrienoloic acid 	C27H38O4	426.277009	NA	MeJP	NA	NA
+PJ001268	PVVL 	C21H38N4O5	426.2842	NA	PeJP	NA	NA
+MJ060775	2',4'-[Bis(2-diethylamino)ethoxy]-2-phenylacetophenone 	C26H38N2O3	426.288243	NA	MeJP	NA	NA
+MJ060776	Prospasmin 	C26H38N2O3	426.288243	NA	MeJP	NA	NA
+MJ060777	Isoleucylisoleucylargininal; N-Ac 	C20H38N6O4	426.295453	NA	MeJP	NA	NA
+MJ060778	Isoleucylleucylargininal; N-Ac 	C20H38N6O4	426.295453	NA	MeJP	NA	NA
+MJ060779	Leucylisoleucylargininal; N-Ac 	C20H38N6O4	426.295453	NA	MeJP	NA	NA
+MJ060780	Leupeptin Ac-LL 	C20H38N6O4	426.295453	NA	MeJP	NA	NA
+C01591	Leupeptin	C20H38N6O4	426.2955	NA	KEGG	NA	NA
+MJ060781	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(3-Cyclohexylpropanoyl) 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060782	18,20-Dihydroxyergosta-1,4,22-trien-3-one 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060783	5,6-Epoxy-3-hydroxyergosta-8(14),22-dien-7-one 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060784	5,6-Epoxyergosta-8,14,22-triene-3,7-diol 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060785	5,8-Epidioxyergosta-6,22,25-trien-3-ol 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060786	5,8-Epidioxyergosta-6,9(11),22-trien-3-ol 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060787	5,8-Epidioxyergosta-6,9(11),24(28)-trien-3-ol 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060788	Geodisterol 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060789	Plucheasterolide 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060790	Stoloniferone A 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060791	Stoloniferone B 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060792	Stoloniolide I 	C28H42O3	426.313395	NA	MeJP	NA	NA
+MJ060793	3,20-Diaminopregn-5-en-4-one, N20-Me, N3-(3-methyl-2-butenoyl) 	C27H42N2O2	426.324628	NA	MeJP	NA	NA
+MJ060794	Harappamine; N20-Formyl, N-de-Me 	C27H42N2O2	426.324628	NA	MeJP	NA	NA
+MJ060795	Solaseaforthine 	C27H42N2O2	426.324628	NA	MeJP	NA	NA
+MJ060796	21-Hydroxy-30-nor-20(29)-friedelen-3-one; 21?-form 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060797	23,28-Cyclo-3-hydroxystigmast-5-en-4-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060798	24-Nor-4(23),22(29)-hopadiene-3,6,7-triol, 7-Deoxy 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060799	25-Hydroxystigmasta-4,22-dien-3-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060800	26,27-Cyclo-24,26-dimethylcholest-5-ene-3,7-diol, 7-Ketone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060801	28-Nor-12,17-lupadiene-3,16-diol 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060802	28-Nor-16,18-oleanadiene-3,21-diol 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060803	29-Nor-3,22-hopanedione 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060804	29-Norcycloartane-3,24-dione 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060805	3-Hydroxy-27-norcycloart-23-en-25-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060806	3-Hydroxy-28-norolean-12-en-16-one, 12,13-Dihydro, 17,18-didehydro 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060807	3-Hydroxy-28-norolean-12-en-16-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060808	3-Hydroxy-4,4-dimethylcholesta-8,24-dien-23-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060809	3-Hydroxystigmast-22-en-6-one, 3-Ketone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060810	3-Hydroxystigmasta-24(28),25-dien-29-al 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060811	3-Hydroxystigmasta-5,14-dien-16-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060812	3-Hydroxystigmasta-5,22-dien-7-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060813	4-Methylergosta-8,14,24(28)-triene-3,4-diol 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060814	6-Hydroxystigmasta-4,22-dien-3-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060815	6-Hydroxystigmasta-4,24(28)-dien-3-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060816	6-Hydroxystigmasta-4,24-dien-3-one 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060817	Albigenin 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060818	Celsiogenin A 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060819	Cholesta-5,23-diene-3,24-diol, 24-Vinyl ether 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060820	Oxidosenexone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060821	Roxburghiadiol A; 6-Ketone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060822	Senexonol 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060823	Stigmast-4-ene-3,6-diol, 3,6-Diketone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060824	Stigmasta-4,25-diene-3,6-diol, 3-Ketone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MJ060825	Stigmasta-5,25-diene-3,7-diol, 7-Ketone 	C29H46O2	426.34978	NA	MeJP	NA	NA
+MetaCyc03503	4&alpha;-formyl-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C29H46O2	426.349781	NA	metacyc	NA	NA
+HMDB12167	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	C29H46O2	426.349792	NA	HMDB2010	NA	NA
+MJ060826	Buxamine I; N3,N3,N20-Tri-Me, N20-formyl 	C28H46N2O	426.361014	NA	MeJP	NA	NA
+MJ060827	Buxamine I; N3,N3-Di-Me, N20-Ac 	C28H46N2O	426.361014	NA	MeJP	NA	NA
+MJ060828	Moenjodaramine 	C28H46N2O	426.361014	NA	MeJP	NA	NA
+MJ060829	Pregn-16-ene-3,20-diamine, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H46N2O	426.361014	NA	MeJP	NA	NA
+MJ060830	Pregn-4-ene-3,20-diamine, N20,N20-Di-Me, N3-tigloyl 	C28H46N2O	426.361014	NA	MeJP	NA	NA
+MJ060831	Tryptamine; Nb-Octadecanoyl 	C28H46N2O	426.361014	NA	MeJP	NA	NA
+MJ060832	(S)-2,3-Epoxysqualene 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060833	Cycloartenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060834	Lanosterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060835	10,11-Epoxysqualene 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060836	12,21-Baccharadien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060837	12-Gammaceren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060838	12-Lupanone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060839	12-Lupen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060840	12-Neohopen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060841	12-Oleanen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060842	12-Ursen-24-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060843	12-Ursen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060844	13(18)-Lupen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060845	13(18)-Neohopen-19-ol; 19?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060846	13(18)-Oleanen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060847	13(18)-Oleanen-9-ol; 9?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060848	14-Pteronen-7-ol; 7?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060849	14-Taraxeren-23-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060850	14-Taraxeren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060851	14-Taraxeren-6-ol; 6?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060852	14-Taraxeren-7-ol; 7?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060853	16-Chiraten-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060854	16-Gammaceren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060855	17(21)-Hopen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060856	17(21)-Hopene; 17?,21?-Epoxide 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060857	17,29-Epoxyhopane 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060858	18-Lupen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060859	18-Neohopen-12-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060860	18-Oleanen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060861	19(10?9)-Abeoeupha-5,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060862	2,3-Epoxysqualene 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060863	2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060864	20(29)-Lupen-28-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060865	20(29)-Lupen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060866	20(29)-Lupen-7-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060867	20(30)-Taraxasten-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060868	20(30)-Ursen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060869	20-Taraxasten-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060870	20-Ursen-12-ol; 12?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060871	20-Ursen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060872	21,29-Cyclo-3-friedelanol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060873	21-Shinonen-3-one 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060874	22(29)-Hopen-20-ol; 20?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060875	22(29)-Hopen-28-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060876	22(29)-Hopen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060877	22(30)-Hopen-29-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060878	22,28-Epoxyhopan-29-ol, 29-Deoxy 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060879	22-Methylene-29-norcycloartan-3?-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060880	23,26-Dimethylergosta-5,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060881	23-Methylstigmasta-20(22),24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060882	24,24,27-Trimethylcholesta-5,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060883	24,26,26-Trimethylcholesta-7,25(27)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060884	24-Ethyl-14-methylcholesta-9(11),25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060885	24-Isopropenylcholest-7-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060886	24-Methyl-29-norcycloart-25-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060887	24-Propylidenecholest-5-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060888	25-Methylstigmasta-5,22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060889	25-Methylstigmasta-5,24(28)-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060890	26,26-Dimethylergost-7-en-3-ol, 24,28-Didehydro 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060891	26-Ethyl-26-methylcholesta-5,25(27)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060892	26-Methylstigmasta-5,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060893	26-Methylstigmasta-5,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060894	26-Methylstigmasta-7,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060895	27-Methylstigmasta-5,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060896	28-Methylstigmast-5-en-3-ol, 22,23-Didehydro (E-) 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060897	28-Methylstigmast-5-en-3-ol, 22,23-Didehydro (Z-) 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060898	28-Methylstigmast-5-en-3-ol, 24,28-Didehydro 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060899	28-Methylstigmast-5-en-3-ol, 28,29-Didehydro (24R-) 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060900	28-Methylstigmast-5-en-3-ol, 28,29-Didehydro (24S-) 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060901	3,10-Epoxycucurbit-24-ene 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060902	3,10-Epoxyglutinane 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060903	3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060904	3-Filicanone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060905	3-Filicen-19-ol; 19?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060906	3-Filicen-25-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060907	3-Filicen-6-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060908	3-Friedelanol; 3?-form, 3-Ketone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060909	3-Friedelanol; 4?-form, 3-Ketone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060910	3-Friedelene; 3?,4?-Epoxide 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060911	3-Oleananone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060912	3-Ursanone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060913	31-Norcycloswietenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060914	4(23)-Filicen-3-ol; 3?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060915	4,14,24-Trimethylcholest-9(11)-en-3-ol, 3-Ketone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060916	4,14,24-Trimethylcholesta-8,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060917	4,14-Dimethyl-9,19-cycloergost-23-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060918	4,14-Dimethyl-9,19-cycloergost-24-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060919	4,14-Dimethyl-9,19-cycloergost-25-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060920	4,14-Dimethylergosta-7,22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060921	4,14-Dimethylergosta-8,23-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060922	4,14-Dimethylergosta-8,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060923	4,14-Dimethylergosta-8,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060924	4,14-Dimethylergosta-9(11),24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060925	4,23-Dimethylergosta-14,22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060926	4,23-Dimethylergosta-5,22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060927	4,23-Dimethylergosta-7,22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060928	4,23-Dimethylergosta-8(14),22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060929	4,24-Dimethylergosta-7,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060930	4,25-Dimethylergosta-7,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060931	4,4-Dimethylergosta-8,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060932	4-Methylstigmasta-7,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060933	4-Methylstigmasta-7,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060934	4-Methylstigmasta-8(14),24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060935	4-Methylstigmasta-8,24(28)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060936	5(10)-Adianen-3-ol; 3?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060937	5(10)-Glutinen-1-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060938	5-Adianen-25-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060939	5-Adianen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060940	5-Glutinen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060941	5-Taraxeren-3-ol; 3?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060942	6,7-Epoxysqualene 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060943	7,13,17,21-Polypodatetraen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060944	7-Baueren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060945	7-Fernen-19-ol; 19?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060946	7-Fernen-25-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060947	7-Fernen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060948	7-Friedelen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060949	7-Multifloren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060950	8(26),13,17,21-Polypodatetraen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060951	8-Baueren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060952	8-Fernen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060953	8-Multifloren-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060954	9(11)-Arborinen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060955	9(11)-Fernen-19-ol; 19?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060956	9(11)-Fernen-20-ol; 20?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060957	9(11)-Fernen-23-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060958	9(11)-Fernen-25-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060959	9(11)-Fernen-28-oic acid; 28-Alcohol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060960	9(11)-Fernen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060961	9(11)-Fernen-6-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060962	9(11)-Fernen-7-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060963	9(11)-Fernene; 21àH-form, 9?,11?-Epoxide 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060964	9(11)-Fernene; 21àH-form, 9?,11?-Epoxide 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060965	Acanthasterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060966	Achilleol A 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060967	Achilleol B 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060968	Astertarone A 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060969	Baccharis oxide 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060970	Boehmerol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060971	Butyrospermol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060972	Carissol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060973	Clavisterol A 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060974	Cucurbita-5,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060975	Cycloart-24-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060976	Cycloart-25-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060977	Cycloartanol; 3-Ketone 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060978	Cycloeucalenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060979	Cycloeuphordenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060980	Cyclopeltenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060981	Cycloroylenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060982	Cymbopogonol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060983	D-Friedo-14-lupen-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060984	D-Friedomadeir-14-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060985	D:C-Friedomadeir-7-en-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060986	Dalbergia variabilis Triterpenoid 2 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060987	Dammara-12,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060988	Dammara-20,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060989	Echinoflorasterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060990	Espinenoxide 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060991	Euferol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060992	Eupha-8,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060993	Gorgosterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060994	Guimarenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060995	Hancokinol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060996	Hancolupenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060997	Isoursenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060998	Ixerenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ060999	Lanosta-7,9(11)-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061000	Lanosta-8,25-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061001	Lanosta-9(11),24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061002	Lanosterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061003	Leptadenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061004	Melliferol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061005	Mutasterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061006	Nematocyphol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061007	Nigrum-24-en-3-one 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061008	Peplusol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061009	Phyllanthol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061010	Pichierenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061011	Polyprenol; Betulaprenol 6 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061012	Presqualene alcohol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061013	Protosta-13(17),24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061014	Protosta-17(20),24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061015	Rhoiptelenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061016	Swertanone; 3?-Alcohol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061017	Swertanone; 3?-Alcohol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061018	Theonellasterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061019	Tirucalla-5,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061020	Tirucalla-7,24-dien-16-ol; 16?-form 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061021	Tirucalla-7,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061022	Tirucalla-8,22-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061023	Tirucalla-8,24-dien-3-ol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061024	Tylolupenol A 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061025	Ulex europaeus Sterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061026	Ulmoprenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061027	Verongulasterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061028	Walsurenol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MJ061029	Xestosterol 	C30H50O	426.386166	NA	MeJP	NA	NA
+MetaCyc03504	obtusifoliol [4&alpha;,14&alpha;-dimethyl-5&alpha;-ergosta-8,24(28)-dien-3&beta;-ol;4&alpha;,14&alpha;-dimethyl-24-methylene-5&alpha;-cholesta-8-en-3&beta;-ol;]	C30H50O1	426.386166	NA	metacyc	NA	NA
+MetaCyc03505	lanosterol [4,4,14&alpha;-trimethyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol;]	C30H50O1	426.386166	79-63-0	metacyc	NA	NA
+MetaCyc03506	cycloeucalenol []	C30H50O1	426.386166	469-39-6	metacyc	NA	NA
+MetaCyc03507	cycloartenol [9&beta;,19-cyclo-24-lanosten-3&beta;-ol;]	C30H50O1	426.386166	469-38-5	metacyc	NA	NA
+MetaCyc03508	germanicol []	C30H50O1	426.386166	NA	metacyc	NA	NA
+MetaCyc03509	(S)-2,3-Epoxysqualene [Squalene 2,3-epoxide;Squalene 2,3-oxide;(S)-Squalene-2,3-epoxide;2,3-EDSQ;2,3-epoxisqualene;oxidosqualene;]	C30H50O1	426.386166	9029-62-3	metacyc	NA	NA
+MetaCyc03510	lupeol [lupenol;farganasterol;clerodol;monogynol B;]	C30H50O1	426.386166	NA	metacyc	NA	NA
+MetaCyc03511	&Psi;-taraxasterol []	C30H50O1	426.386166	NA	metacyc	NA	NA
+MetaCyc03512	taraxasterol []	C30H50O1	426.386166	NA	metacyc	NA	NA
+MetaCyc03513	&beta;-amyrin [&beta;-amyrenol;]	C30H50O1	426.386166	NA	metacyc	NA	NA
+MetaCyc03514	24-ethylidenelophenol [(Z)-24-ethylidenelophenol;citrostadienol;]	C30H50O1	426.386166	NA	metacyc	NA	NA
+HMDB01188	(S)-2,3-Epoxysqualene	C30H50O	426.386169	NA	HMDB2010	NA	NA
+HMDB01251	Lanosterin	C30H50O	426.386169	NA	HMDB2010	NA	NA
+HMDB01188	(S)-2,3-Epoxysqualene	C30H50O	426.38617	http://www.hmdb.ca/metabolites/HMDB01188	HMDB	NA	NA
+HMDB01251	Lanosterin	C30H50O	426.38617	http://www.hmdb.ca/metabolites/HMDB01251	HMDB	NA	NA
+HMDB01188	(S)-2,3-Epoxysqualene	C30H50O	426.38617	HMDB01188	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01251	Lanosterin	C30H50O	426.38617	HMDB01251	PFEM_hmdb_metabocards_official	NA	NA
+C01054	(S)-2,3-Epoxysqualene	C30H50O	426.3862	NA	KEGG	NA	NA
+C01724	Lanosterol	C30H50O	426.3862	NA	KEGG	NA	NA
+C01902	Cycloartenol	C30H50O	426.3862	NA	KEGG	NA	NA
+C01943	Obtusifoliol	C30H50O	426.3862	NA	KEGG	NA	NA
+C02141	Cycloeucalenol	C30H50O	426.3862	NA	KEGG	NA	NA
+C02142	D-Ribosyl-base	C5H9O4R	426.3862	NA	KEGG	NA	NA
+C02143	D-threo-Aldose	C5H9O5R	426.3862	NA	KEGG	NA	NA
+C02144	Dehydropeptide	C5H6N2O3R2	426.3862	NA	KEGG	NA	NA
+C02146	Dialkyl ketone	COR2	426.3862	NA	KEGG	NA	NA
+C08615	alpha-Amyrin	C30H50O	426.3862	NA	KEGG	NA	NA
+C08616	beta-Amyrin	C30H50O	426.3862	NA	KEGG	NA	NA
+C08624	Euphol	C30H50O	426.3862	NA	KEGG	NA	NA
+C08626	Friedelin	C30H50O	426.3862	NA	KEGG	NA	NA
+C08628	Lupeol	C30H50O	426.3862	NA	KEGG	NA	NA
+C08636	Taraxasterol	C30H50O	426.3862	NA	KEGG	NA	NA
+C08637	Taraxerol	C30H50O	426.3862	NA	KEGG	NA	NA
+C11523	24-Ethylidene lophenol	C30H50O	426.3862	NA	KEGG	NA	NA
+C11524	Diphospho-myo-inositol polyphosphate	C30H50O	426.3862	NA	KEGG	NA	NA
+C11525	myo-Inositol polyphosphate	C30H50O	426.3862	NA	KEGG	NA	NA
+C16958	Fernenol	C30H50O	426.3862	NA	KEGG	NA	NA
+C16973	Isoarborinol	C30H50O	426.3862	NA	KEGG	NA	NA
+C17966	Shionon	C30H50O	426.3862	NA	KEGG	NA	NA
+MJ061030	3-(17-Tetracosenyloxy)-1,2-propanediol 	C27H54O3	426.407295	NA	MeJP	NA	NA
+MJ061031	7-Hydroxydodecanoic acid, Pentadecyl ester 	C27H54O3	426.407295	NA	MeJP	NA	NA
+MJ061032	29-Methylhopane 	C31H54	426.422551	NA	MeJP	NA	NA
+MJ061033	1,28-Octacosanediol 	C28H58O2	426.443681	NA	MeJP	NA	NA
+MJ061034	1,9-Octacosanediol 	C28H58O2	426.443681	NA	MeJP	NA	NA
+MJ061035	5,10-Octacosanediol 	C28H58O2	426.443681	NA	MeJP	NA	NA
+MJ061036	6,8-Octacosanediol 	C28H58O2	426.443681	NA	MeJP	NA	NA
+MJ061037	7,9-Octacosanediol 	C28H58O2	426.443681	NA	MeJP	NA	NA
+3617	NA	HIGPGRAF	426.721	MH2+	Inhouse_peptide	NA	peptide
+7515	ACE inhibitor from myosin light chain	VKKVLGNP	426.76195	MH2+	Inhouse_peptide	NA	peptide
+MJ061038	Oxiconazole 	C18H13Cl4N3O	426.981272	NA	MeJP	NA	NA
+C08074	Oxiconazole	C18H13Cl4N3O	426.9813	NA	KEGG	NA	NA
+HMDB01003	Adenosine phosphosulfate	C10H14N5O10PS	427.019897	NA	HMDB2010	NA	NA
+MJ061039	Adenylylsulfate 	C10H14N5O10PS	427.019898	NA	MeJP	NA	NA
+MetaCyc03515	APS [Adenosine 5'-phosphosulfate;adenylyl-sulfate;adenosine phosphosulfate;adenosine 5'-sulphatophosphate;]	C10H14N5O10P1S1	427.019899	485-84-7	metacyc	NA	NA
+HMDB01003	Adenosine phosphosulfate	C10H14N5O10PS	427.0199	http://www.hmdb.ca/metabolites/HMDB01003	HMDB	NA	NA
+C00224	Adenylyl sulfate	C10H14N5O10PS	427.0199	NA	KEGG	NA	NA
+HMDB01003	Adenosine phosphosulfate	C10H14N5O10PS	427.0199	HMDB01003	PFEM_hmdb_metabocards_official	NA	NA
+MJ061040	Eudistomin C; N-Methoxycarbonyl 	C16H18BrN3O4S	427.020139	NA	MeJP	NA	NA
+C00008	ADP	C10H15N5O10P2	427.0294	NA	KEGG	NA	NA
+C00054	Adenosine 3',5'-bisphosphate	C10H15N5O10P2	427.0294	NA	KEGG	NA	NA
+C00361	dGDP	C10H15N5O10P2	427.0294	NA	KEGG	NA	NA
+C03850	Adenosine 2',5'-bisphosphate	C10H15N5O10P2	427.0294	NA	KEGG	NA	NA
+MJ061041	Adenosine 3',5'-bisphosphate 	C10H15N5O10P2	427.029414	NA	MeJP	NA	NA
+MJ061042	ADP 	C10H15N5O10P2	427.029414	NA	MeJP	NA	NA
+MJ061043	dGDP 	C10H15N5O10P2	427.029414	NA	MeJP	NA	NA
+MJ061044	Adenosine 2',5'-diphosphate 	C10H15N5O10P2	427.029414	NA	MeJP	NA	NA
+MJ061045	Adenosine 3',5'-diphosphate 	C10H15N5O10P2	427.029414	NA	MeJP	NA	NA
+MJ061046	Adenosine diphosphate 	C10H15N5O10P2	427.029414	NA	MeJP	NA	NA
+MetaCyc03516	adenosine-3',5'-bisphosphate [PAP;phosphoadenosine phosphate;adenosine 3',5'-bisphosphate;]	C10H15N5O10P2	427.029415	1053-73-2	metacyc	NA	NA
+MetaCyc03517	3',5'-ADP []	C10H15N5O10P2	427.029415	NA	metacyc	NA	NA
+MetaCyc03518	ADP group []	C10H15N5O10P2	427.029415	NA	metacyc	NA	NA
+MetaCyc03519	ADP [adenosine pyrophosphate;adenosine 5'-pyrophosphate;adenosine-5'-diphosphate;adenosine-diphosphate;adenosine-5-diphosphate;]	C10H15N5O10P2	427.029415	58-64-0	metacyc	NA	NA
+MetaCyc03520	dGDP [2'-deoxyguanosine-5'-diphosphate;deoxyguanosine-diphosphate;]	C10H15N5O10P2	427.029415	102783-74-4	metacyc	NA	NA
+HMDB00061	Adenosine 3',5'-diphosphate	C10H15N5O10P2	427.029419	NA	HMDB2010	NA	NA
+HMDB00960	dGDP	C10H15N5O10P2	427.029419	NA	HMDB2010	NA	NA
+HMDB01341	ADP	C10H15N5O10P2	427.029419	NA	HMDB2010	NA	NA
+HMDB01341	ADP	C10H15N5O10P2	427.02942	http://www.hmdb.ca/metabolites/HMDB01341	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00061	Adenosine 3',5'-diphosphate	C10H15N5O10P2	427.02942	http://www.hmdb.ca/metabolites/HMDB00061	HMDB	NA	NA
+HMDB00960	dGDP	C10H15N5O10P2	427.02942	http://www.hmdb.ca/metabolites/HMDB00960	HMDB	NA	NA
+HMDB01341	ADP	C10H15N5O10P2	427.02942	http://www.hmdb.ca/metabolites/HMDB01341	HMDB	NA	NA
+HMDB01341	ADP	C10H15N5O10P2	427.02942	http://www.hmdb.ca/metabolites/HMDB01341	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00061	Adenosine 3',5'-diphosphate	C10H15N5O10P2	427.02942	HMDB00061	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00960	dGDP	C10H15N5O10P2	427.02942	HMDB00960	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01341	ADP	C10H15N5O10P2	427.02942	HMDB01341	PFEM_hmdb_metabocards_official	NA	NA
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR263	Nicotinamide adenine di nucleotide F3	NA	427.033375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR263	Nicotinamide adenine di nucleotide F3	NA	427.033375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR263	Nicotinamide adenine di nucleotide F3	NA	427.033375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR263	Nicotinamide adénine di nucléotide F3	F3	427.033375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR263	Nicotinamide adenine di nucleotide F3	NA	427.033375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR263	Nicotinamide adenine di nucleotide F3	F3	427.033375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ061047	Cefoxitin 	C16H17N3O7S2	427.050791	NA	MeJP	NA	NA
+C06887	Cefoxitin	C16H17N3O7S2	427.0508	NA	KEGG	NA	NA
+C08114	Cefpodoxime	C15H17N5O6S2	427.062	NA	KEGG	NA	NA
+MJ061048	Cefdaloxime; Me ether 	C15H17N5O6S2	427.062024	NA	MeJP	NA	NA
+MJ061049	Oxitefonium(1+), Bromide 	C19H26BrNO3S	427.081677	NA	MeJP	NA	NA
+MJ061050	Salazosulfadimidine 	C19H17N5O5S	427.095039	NA	MeJP	NA	NA
+C13980	Hetacillin potassium	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13981	Transferred to D02204	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13982	Transferred to D02205	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13983	Transferred to D02206	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13984	Transferred to D02207	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13985	Transferred to D02208	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13986	Transferred to D02209	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13987	Transferred to D02210	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13988	Transferred to D02211	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13989	Transferred to D02212	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13990	Transferred to D02213	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+C13991	Transferred to D02214	C19H22N3O4S	427.0968	NA	KEGG	NA	NA
+MJ061051	4-Hydroxy-2-(hydroxymethyl)-2-butenoic acid, 5-O-(3,4,5-Trihydroxybenzoyl), 4-O-?-D-glucopyranoside, nitrile 	C18H21NO11	427.11146	NA	MeJP	NA	NA
+MJ061052	Pteroylaspartic acid 	C18H17N7O6	427.124031	NA	MeJP	NA	NA
+PJ001269	DMY 	C18H25N3O7S	427.1413	NA	PeJP	NA	NA
+C01870	(R)-Vicianin	C19H25NO10	427.1478	NA	KEGG	NA	NA
+C08335	Lucumin	C19H25NO10	427.1478	NA	KEGG	NA	NA
+MJ061053	2-Hydroxy-2-phenylacetonitrile, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C19H25NO10	427.147846	NA	MeJP	NA	NA
+MJ061054	2-Hydroxy-2-phenylacetonitrile, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H25NO10	427.147846	NA	MeJP	NA	NA
+MJ061055	2-Hydroxy-2-phenylacetonitrile, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H25NO10	427.147846	NA	MeJP	NA	NA
+MJ061056	2-Hydroxy-2-phenylacetonitrile, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C19H25NO10	427.147846	NA	MeJP	NA	NA
+MJ061057	2-Hydroxy-2-phenylacetonitrile, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H25NO10	427.147846	NA	MeJP	NA	NA
+MetaCyc03521	R-vicianin []	C19H25N1O10	427.147846	155-57-7	metacyc	NA	NA
+MJ061058	Pemetrexed 	C20H21N5O6	427.149183	NA	MeJP	NA	NA
+MJ061059	4-[3-[2-Amino-4-(4-fluorophenyl)-5-thiazolyl]-1-pyrrolidinyl]-1-(4-fluorophenyl)-1-butanone 	C23H23F2N3OS	427.152989	NA	MeJP	NA	NA
+MJ061060	Moracizine 	C22H25N3O4S	427.156576	NA	MeJP	NA	NA
+C07743	Moricizine	C22H25N3O4S	427.1566	NA	KEGG	NA	NA
+C07744	Transferred to D00640	C22H25N3O4S	427.1566	NA	KEGG	NA	NA
+C07746	Transferred to D00642	C22H25N3O4S	427.1566	NA	KEGG	NA	NA
+C07747	Transferred to D00643	C22H25N3O4S	427.1566	NA	KEGG	NA	NA
+C07748	Transferred to D00644	C22H25N3O4S	427.1566	NA	KEGG	NA	NA
+C07749	Transferred to D00645	C22H25N3O4S	427.1566	NA	KEGG	NA	NA
+MJ061061	[1-[2-[(Methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate 	C19H26FN3O5S	427.157719	NA	MeJP	NA	NA
+MJ061062	Vanoxonin 	C18H25N3O9	427.159079	NA	MeJP	NA	NA
+PJ001270	MMF 	C19H29N3O4S2	427.16	NA	PeJP	NA	NA
+MJ061063	Raddeanine, O8-Ac 	C23H25NO7	427.163102	NA	MeJP	NA	NA
+MJ061064	Mequinine 	C23H26NO7(+)	427.163102	NA	MeJP	NA	NA
+MJ061065	Narcotine, N-Me 	C23H26NO7(+)	427.163102	NA	MeJP	NA	NA
+MJ061066	Oxyphenonium(1+), Bromide 	C21H34BrNO3	427.172206	NA	MeJP	NA	NA
+PJ001271	DFF 	C22H25N3O6	427.1744	NA	PeJP	NA	NA
+MJ061067	Panomifene 	C25H24F3NO2	427.175913	NA	MeJP	NA	NA
+PJ001272	GSQH 	C16H25N7O7	427.1816	NA	PeJP	NA	NA
+MJ061068	Etolotifen 	C24H29NO4S	427.181729	NA	MeJP	NA	NA
+MJ061069	Pyridinoline 	C18H28N4O8(+)	427.182888	NA	MeJP	NA	NA
+8302	Soystatin	VAWWMY	427.1832	MH2+	Inhouse_peptide	NA	peptide
+8303	Soystatin	VAWWMY	427.1832	MH2+	Inhouse_peptide	NA	peptide
+MJ061070	Trospium(1+); Chloride 	C25H30ClNO3	427.191421	NA	MeJP	NA	NA
+MJ061071	Nuciferine, O2-De-Me, O-?-L-rhamnopyranoside 	C24H29NO6	427.199487	NA	MeJP	NA	NA
+MJ061072	Fluprofylline 	C22H26FN5O3	427.201967	NA	MeJP	NA	NA
+8128	peptide derived from sardine muscle	LQPGQGQQ	427.205	MH2+	Inhouse_peptide	NA	peptide
+PJ001273	SPPQ 	C18H29N5O7	427.2067	NA	PeJP	NA	NA
+MJ061073	Anthelvencin A 	C19H25N9O3	427.208035	NA	MeJP	NA	NA
+PJ001274	VFY 	C23H29N3O5	427.2107	NA	PeJP	NA	NA
+PJ001275	GSKH 	C17H29N7O6	427.218	NA	PeJP	NA	NA
+MJ061074	Lasiocarpine; N-Oxide 	C21H33NO8	427.220617	NA	MeJP	NA	NA
+MJ061075	N-[4-[[5-(Dimethylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl]phenyl]-2-methylbenzamide 	C27H29N3O2	427.225977	NA	MeJP	NA	NA
+MJ061076	Dixyrazine 	C24H33N3O2S	427.229348	NA	MeJP	NA	NA
+3762	NA	VGVPG	427.23	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ061077	Acidissiminol; 6',7'-Dihydroxy 	C25H33NO5	427.235873	NA	MeJP	NA	NA
+MJ061078	Antibiotic F 1839A; 2-Deoxy, 3-Ac 	C25H33NO5	427.235873	NA	MeJP	NA	NA
+MJ061079	Geyerine 	C25H33NO5	427.235873	NA	MeJP	NA	NA
+MJ061080	Memnobotrin A 	C25H33NO5	427.235873	NA	MeJP	NA	NA
+MJ061081	Serratinine, O8-(4-Methoxyphenylacetyl) 	C25H33NO5	427.235873	NA	MeJP	NA	NA
+MJ061082	Yuzurimine C 	C25H33NO5	427.235873	NA	MeJP	NA	NA
+MJ061083	Daphnezomine J 	C25H34NO5(+)	427.235873	NA	MeJP	NA	NA
+PJ001276	SPPK 	C19H33N5O6	427.2431	NA	PeJP	NA	NA
+MJ061084	Ranolazine 	C24H33N3O4	427.247106	NA	MeJP	NA	NA
+PJ001277	GPVR 	C18H33N7O5	427.2543	NA	PeJP	NA	NA
+PJ001278	PRR 	C17H33N9O4	427.2656	NA	PeJP	NA	NA
+3595	NA	KAIP	427.267	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ061085	Topicaine 	C26H37NO4	427.272258	NA	MeJP	NA	NA
+MJ061086	Petrosaspongiolide L; N-(Carboxymethyl) 	C26H38NO4(+)	427.272258	NA	MeJP	NA	NA
+PJ001279	APLK 	C20H37N5O5	427.2795	NA	PeJP	NA	NA
+MJ061087	2-Amino-3,5-dihydroxy-2-(hydroxymethyl)-6,8-eicosadienoic acid, 5-Ac 	C23H41NO6	427.293388	NA	MeJP	NA	NA
+MJ061088	21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,21-dione 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061089	Ascosalipyrrolidinone B; O-De-Me, O-butyl 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061090	Cyclobuxophylline O; N-Ethoxycarbonyl 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061091	Hupehenisine 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061092	Imperialine; 3-Ketone 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061093	Jervine; 11?-Alcohol 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061094	Korsevinine 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061095	Peimisine 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061096	Petisine 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061097	Solamaladine 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061098	Solaspiralidine 	C27H41NO3	427.308644	NA	MeJP	NA	NA
+MJ061099	15-Azasterol; 16?-Hydroxy 	C28H45NO2	427.345029	NA	MeJP	NA	NA
+MJ061100	Korsevine 	C28H45NO2	427.345029	NA	MeJP	NA	NA
+MJ061101	Mycalazoles; Mycalazole 3, 11',12'-Dihydro 	C28H45NO2	427.345029	NA	MeJP	NA	NA
+HMDB12170	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol	C29H47O2	427.357605	NA	HMDB2010	NA	NA
+HMDB00848	Stearoylcarnitine	C25H49NO4	427.36615	http://www.hmdb.ca/metabolites/HMDB00848	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00848	Stearoylcarnitine	C25H49NO4	427.36615	http://www.hmdb.ca/metabolites/HMDB00848	HMDB	NA	NA
+HMDB00848	Stearoylcarnitine	C25H49NO4	427.36615	NA  ;SYN:a-Pyridinecarboxylic acid; 2-Carboxypyridine; 2-methoxy-5-aminopyridine; 2-Picolinic acid; 2-Pyridinecarboxylic acid; 5-amino-2-Pyridinecarboxylic acid; 4,5-Dehydropipecolic acid; 5-Amino-2-fluoropyridine; 5-Amino-2-methoxypyridine; 5-Aminopicolinic acid; 5-Aminopyridine-2-carboxylic acid; 6-Methoxy-pyridin-3-ylamine; acide picolique; L-Baikiain; PLA; Phenyl-(2-pyridyl)acetonitrile; Pyridine-2-carboxylic acid; Pyridine-carboxylique-2; Pyridinecarboxylic acid-(2);  o-Pyridinecarboxylic acid; Picolinate; alpha-Pyridinecarboxylic acid; alpha-Picolinic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00848	Stearoylcarnitine	C25H49NO4	427.36615	http://www.hmdb.ca/metabolites/HMDB00848	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00848	Stearoylcarnitine	C25H49NO4	427.36615	HMDB00848	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00848	Stearoylcarnitine	C25H49NO4	427.36615	NA	HMDB2010	NA	NA
+MJ061102	N-(1-Hydroxymethyl-2-methoxyethyl)-7-methoxy-4-eicosenamide 	C25H49NO4	427.366159	NA	MeJP	NA	NA
+8275	Antioxidative peptide	PMDYMVT	427.66885	MH2+	Inhouse_peptide	NA	peptide
+8276	Anticancer peptide	PMDYMVT	427.66885	MH2+	Inhouse_peptide	NA	peptide
+8121	peptide derived from blue fermented mussel sauce (Mytilus edulis)	HFGDPFH	427.67595	MH2+	Inhouse_peptide	NA	peptide
+MJ061103	1,1,3,3-Tetrabromo-2-heptanol 	C7H12Br4O	427.762165	NA	MeJP	NA	NA
+MJ061104	8-Bromo-2-(bromochloromethyl)-1,5,6-trichloro-6-methyl-1,3,7-octatriene 	C10H10Br2Cl4	427.790336	NA	MeJP	NA	NA
+MJ061105	2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigranol 	C15H23Br2ClO2	427.975332	NA	MeJP	NA	NA
+MJ061106	3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol; 7S,14-Epoxide 	C15H23Br2ClO2	427.975332	NA	MeJP	NA	NA
+MJ061107	4,10-Dibromo-3-chloro-7,8-epoxy-1-chamigranol 	C15H23Br2ClO2	427.975332	NA	MeJP	NA	NA
+MJ061108	Laucapyranoid B 	C15H23Br2ClO2	427.975332	NA	MeJP	NA	NA
+MJ061109	Nidulin; O-De-Me 	C19H15Cl3O5	427.998506	NA	MeJP	NA	NA
+MJ061110	16,18-Dibromo-15,17-octadecadiene-5,7-diynoic acid 	C18H22Br2O2	427.998655	NA	MeJP	NA	NA
+MJ061111	18,18-Dibromo-9,17-octadecadiene-5,7-diynoic acid 	C18H22Br2O2	427.998655	NA	MeJP	NA	NA
+C14021	Ticarcillin disodium	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C14022	Transferred to D02242	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C14023	Transferred to D02243	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C14024	Transferred to D00388	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C14026	Transferred to D02245	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C14027	Transferred to D02246	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C14028	Transferred to D02247	C15H14N2O6S2	428.0089	NA	KEGG	NA	NA
+C00104	IDP	C10H14N4O11P2	428.0134	NA	KEGG	NA	NA
+C01347	dXDP	C10H14N4O11P2	428.0134	NA	KEGG	NA	NA
+HMDB03335	IDP	C10H14N4O11P2	428.013428	NA	HMDB2010	NA	NA
+HMDB03335	IDP	C10H14N4O11P2	428.01343	http://www.hmdb.ca/metabolites/HMDB03335	HMDB	NA	NA
+MJ061112	IDP 	C10H14N4O11P2	428.01343	NA	MeJP	NA	NA
+MetaCyc03522	IDP [riboxin;inosine diphosphate;]	C10H14N4O11P2	428.01343	86-04-4	metacyc	NA	NA
+HMDB03335	IDP	C10H14N4O11P2	428.01343	HMDB03335	PFEM_hmdb_metabocards_official	NA	NA
+MJ061113	Melarsomine 	C13H21AsN8S2	428.054655	NA	MeJP	NA	NA
+MJ061114	Bromosphaerene B 	C20H30Br2	428.071426	NA	MeJP	NA	NA
+MJ061115	4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid; (1,2-Dicarboxyethyl) ester 	C21H16O10	428.074346	NA	MeJP	NA	NA
+MJ061116	Theaflavic acid 	C21H16O10	428.074346	NA	MeJP	NA	NA
+MJ061117	5-(Methylsulfonylmethyl)altersolanol A 	C18H20O10S	428.077717	NA	MeJP	NA	NA
+MJ061118	Diethylstilbestrol, Diphosphate 	C18H22O8P2	428.07899	NA	MeJP	NA	NA
+C08145	Diethylstilbestrol diphosphate	C18H22O8P2	428.079	NA	KEGG	NA	NA
+PJ001280	TCCC 	C13H24N4O6S3	428.0858	NA	PeJP	NA	NA
+MJ061119	7-Amino-2,8-bis(2,4-dihydroxyphenyl)-3H-phenoxazin-3-one 	C24H16N2O6	428.100836	NA	MeJP	NA	NA
+C12425	epsilon-Rhodomycinone	C22H20O9	428.1107	NA	KEGG	NA	NA
+FL5FFANS0025	Tambulin 3,5-diacetata;3,5-Diacetyltambulin;3,5-Bis(acetyloxy)-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H20O9	428.11073	58264-77-0	knapsack	NA	NA
+FL63ACNS0024	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)	C22H20O9	428.11073	99257-76-8	knapsack	NA	NA
+MJ061120	3,3',4',5,7-Pentahydroxyflavan, 3-O-(1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylate) 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061121	3,4',5,7,8-Pentahydroxyflavone; 4',7,8-Tri-Me ether, di-Ac 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061122	Aklavinone, 9-Hydroxy 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061123	Enterocin; 6-Epimer, 8-deoxy 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061124	Halawanone B 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061125	Spiroximicin 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061126	?-Rhodomycinone 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061127	?-Pyrromycinone 	C22H20O9	428.110732	NA	MeJP	NA	NA
+MJ061128	?-Rhodomycinone 	C22H20O9	428.110732	NA	MeJP	NA	NA
+PJ001281	GCCF 	C17H24N4O5S2	428.1188	NA	PeJP	NA	NA
+MJ061129	Mescengricin 	C21H20N2O8	428.121965	NA	MeJP	NA	NA
+MJ061130	2-[3,4-Dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl]-4-(trifluoromethyl)benzoic acid 	C24H19F3O4	428.123543	NA	MeJP	NA	NA
+MJ061131	14-Chloro-3,4-epoxy-2,5,8,10-tetrahydroxy-11(13)-guaien-12,6-olide, 8-Angeloyl 	C20H25ClO8	428.123795	NA	MeJP	NA	NA
+C09425	Eupachloroxin	C20H25ClO8	428.1238	NA	KEGG	NA	NA
+MJ061132	4,6,7-Trihydroxy-5-benzofuranpropanoic acid; 4,7-Di-Me ether, 6-O-?-D-glucopyranoside 	C19H24O11	428.131861	NA	MeJP	NA	NA
+PJ001282	GSCY 	C17H24N4O7S	428.1366	NA	PeJP	NA	NA
+C11743	SB 243213	C22H19F3N4O2	428.146	NA	KEGG	NA	NA
+MJ061133	2,3-Dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-1H-indole-1-carboxamide 	C22H19F3N4O2	428.14601	NA	MeJP	NA	NA
+C10730	beta-Peltatin A methyl ether	C23H24O8	428.1471	NA	KEGG	NA	NA
+C15181	Wortmannin	C23H24O8	428.1471	NA	KEGG	NA	NA
+FL5FECNI0001	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone	C23H24O8	428.14711	160036-27-1	knapsack	NA	NA
+FL5FFCNI0002	5,4'-Dihydroxy-3,8,3'-trimethoxy-7-prenyloxyflavone	C23H24O8	428.14711	160036-26-0	knapsack	NA	NA
+FL5FFCNI0005	5,7-Dihydroxy-3,8,3'-trimethoxy-4'-prenyloxyflavone	C23H24O8	428.14711	160036-31-7	knapsack	NA	NA
+FLIF1LNF0009	Amorphigenol	C23H24O8	428.14711	29360-12-1	knapsack	NA	NA
+FLIFHXNF0010	12-Dihydrodalbinol	C23H24O8	428.14711	97673-80-8	knapsack	NA	NA
+MJ061134	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-(3-Methyl-2-butenyl) 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061135	4',5,7-Trihydroxy-3,3',8-trimethoxyflavone; 4'-O-(3-Methyl-2-butenyl) 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061136	4',5,7-Trihydroxy-3,3',8-trimethoxyflavone; 7-O-(3-Methyl-2-butenyl) 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061137	?-Peltatin; Di-Me ether 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061138	Amorphigenin; 1',3'-Dihydro, 1'-hydroxy 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061139	Barbigerone; 3'',4''-Dihydro, 3'',4''-dihydroxy 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061140	Conloxodin 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061141	Dalbinol; 1',3'-Dihydro, 1'-hydroxy, 2'-deoxy 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061142	Dalbinol; 6?-Alcohol 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061143	Eupomatilone 4; 3,6-Didehydro 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061144	Guayadequiol; Ac 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061145	Hernandin 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061146	Loxodellonic acid 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061147	Sublobaric acid 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061148	Wortmannin 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061149	?-Peltatin; 8'-Epimer, Di-Me ether 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061150	?-Peltatin; Di-Me ether 	C23H24O8	428.147117	NA	MeJP	NA	NA
+MJ061151	?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-L-arabinose 	C16H28O13	428.15299	NA	MeJP	NA	NA
+MJ061152	9-Deazaadenosine; 5'-O-?-D-Glucopyranoside 	C17H24N4O9	428.154328	NA	MeJP	NA	NA
+MJ061153	Tubercidin; 5'-O-?-D-Glucopyranosyl 	C17H24N4O9	428.154328	NA	MeJP	NA	NA
+MJ061154	Ulobetasol 	C22H27ClF2O4	428.156593	NA	MeJP	NA	NA
+MJ061155	Anhydrotetracycline 	C22H24N2O7	428.158351	NA	MeJP	NA	NA
+MJ061156	6-Deoxytetracycline 	C22H24N2O7	428.158351	NA	MeJP	NA	NA
+MJ061157	8-(1-Hydroxypropyl)-2-(2-penten-4-ynyl)-3,5,6-oxocanetriol; 5-Deoxy, 5-chloro, tri-Ac 	C21H29ClO7	428.16018	NA	MeJP	NA	NA
+MJ061158	Haterumalide NE 	C21H29ClO7	428.16018	NA	MeJP	NA	NA
+MJ061159	Pterosin K, 12-O-?-D-Glucopyranoside 	C21H29ClO7	428.16018	NA	MeJP	NA	NA
+MJ061160	Vismiaguianone D 	C27H24O5	428.162373	NA	MeJP	NA	NA
+MJ061161	Vismiaguianone E 	C27H24O5	428.162373	NA	MeJP	NA	NA
+PJ001283	GSEH 	C16H24N6O8	428.1656	NA	PeJP	NA	NA
+C10458	Furcatin	C20H28O10	428.1682	NA	KEGG	NA	NA
+MJ061162	2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranpropanoic acid; 4-O-?-D-Glucopyranoside 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061163	3-Phenyl-2-propen-1-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061164	3-Phenyl-2-propen-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061165	4-(2-Propenyl)phenol; O-[?-D-Xylopyranosyl(1?6)-?-D-glucopyranoside] 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061166	4-(2-Propenyl)phenol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061167	4-Vinylphenol; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061168	4-Vinylphenol; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061169	Brucein E; 18-Hydroxy 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061170	Picrodendrin F 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061171	Pterosin T; 15-Hydroxy, 4-O-?-D-glucopyranoside 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061172	Setulosopterosin; 4-O-?-D-Glucopyranoside 	C20H28O10	428.168247	NA	MeJP	NA	NA
+MJ061173	Baker's antifol I 	C21H25ClN6O2	428.172751	NA	MeJP	NA	NA
+MJ061174	Asterriquinol D; Di-Me ether 	C26H24N2O4	428.173607	NA	MeJP	NA	NA
+MJ061175	N-?-Alanyldopamine; N-Ac, 3-O-?-D-glucopyranoside 	C19H28N2O9	428.17948	NA	MeJP	NA	NA
+PJ001284	SHW 	C20H24N6O5	428.1808	NA	PeJP	NA	NA
+MJ061176	Cormetasone 	C22H27F3O5	428.181058	NA	MeJP	NA	NA
+C08951	psi-Rhodomyrtoxin	C24H28O7	428.1835	NA	KEGG	NA	NA
+FL2FALNI0018	Heteroflavanone B	C24H28O7	428.1835	151171-29-8	knapsack	NA	NA
+MJ061177	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 2'',3''-Dihydro, 3''-hydroxy, O7-Me 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061178	1,3,6,7-Tetrahydroxy-2,8-diprenylxanthone; 2',3'-Dihydro, 3'-hydroxy, O7-Me 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061179	1-Isomangostin; 2',3'-Dihydro, 3'-hydroxy 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061180	2',4',5,6',7-Pentahydroxy-8-prenylflavanone, 2',4',6',7-Tetra-Me ether 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061181	3',4',5,5',7-Pentahydroxy-6-prenylflavanone; 3',4',5',7-Tetra-Me ether 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061182	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, (8-(3,4-Dimethoxybenzoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061183	4,5,9,10-Tetrahydro-1,6-dimethyl-2,7-pyrenediol; O-?-D-Glucopyranoside 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061184	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-(2-methylpropenoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061185	Calabaxanthone; 2',3,3',4-Tetrahydro, 3',9-dihydroxy 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061186	Colensoic acid; O-De-Me 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061187	Decursidinol, 3'-Angeloyl, 4'-(3-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061188	Khellactone, 10-Angeloyl, 9-O-(3-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061189	Khellactone, 9-Angeloyl, 10-O-(2-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061190	Khellactone, 9-O-Angeloyl, 10-O-(3-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061191	Khellactone, O-Angeloyl, O-(3-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061192	Khellactone, 9-Angeloyl, 10-O-(3-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061193	Khellactone, 9-O-(3-Methyl-2-butenoyl), 10-O-(3-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061194	Mon A 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061195	Paraherquonin 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061196	Pseudorhodomyrtoxin 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061197	Rhodomyrtoxin 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061198	Vaginidiol; 1''-O-(3-Methylbutanoyl), 3'-O-angeloyl 	C24H28O7	428.183503	NA	MeJP	NA	NA
+MJ061199	Vaginidiol; 1''-O-Angeloyl, 3'-O-(2-methylbutanoyl) 	C24H28O7	428.183503	NA	MeJP	NA	NA
+PJ001285	AAMH 	C17H28N6O5S	428.1842	NA	PeJP	NA	NA
+MJ061200	2,4-Pentanediol, 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C17H32O12	428.189376	NA	MeJP	NA	NA
+EUR037	pyridinoline	C18H28N4O8	428.1907	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00851	Pyridinoline	C18H28N4O8	428.1907	http://www.hmdb.ca/metabolites/HMDB00851	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR037	pyridinoline	C18H28N4O8	428.1907	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR037	pyridinoline	C18H28N4O8	428.1907	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00851	Pyridinoline	C18H28N4O8	428.1907	http://www.hmdb.ca/metabolites/HMDB00851	HMDB	NA	NA
+EUR037	pyridinoline	C18H28N4O8	428.1907	Wishlist	Inhousejuil11	NA	NA
+PJ001286	SPPE 	C18H28N4O8	428.1907	NA	PeJP	NA	NA
+HMDB00851	Pyridinoline	C18H28N4O8	428.1907	http://www.hmdb.ca/metabolites/HMDB00851	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00851	Pyridinoline	C18H28N4O8	428.1907	HMDB00851	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00851	Pyridinoline	C18H28N4O8	428.1907	NA  ;SYN:a-Pyridinecarboxylic acid; 2-Carboxypyridine; 2-methoxy-5-aminopyridine; 2-Picolinic acid; 2-Pyridinecarboxylic acid; 5-amino-2-Pyridinecarboxylic acid; 4,5-Dehydropipecolic acid; 5-Amino-2-fluoropyridine; 5-Amino-2-methoxypyridine; 5-Aminopicolinic acid; 5-Aminopyridine-2-carboxylic acid; 6-Methoxy-pyridin-3-ylamine; acide picolique; L-Baikiain; PLA; Phenyl-(2-pyridyl)acetonitrile; Pyridine-2-carboxylic acid; Pyridine-carboxylique-2; Pyridinecarboxylic acid-(2);  o-Pyridinecarboxylic acid; Picolinate; alpha-Pyridinecarboxylic acid; alpha-Picolinic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00851	Pyridinoline	C18H28N4O8	428.190704	NA	HMDB2010	NA	NA
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	HMDB	NA	NA
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	Inhouse_PFEM	NA	NA
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR037	Pyridinoline	C18H28N4O8	428.190716	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+C09106	Carapanaubine	C23H28N2O6	428.1947	NA	KEGG	NA	NA
+MJ061201	Carapanaubine 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061202	Elegantissine 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061203	Gardneramine; N4-Oxide 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061204	Isoreserpiline pseudoindoxyl 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061205	Kopsiflorine; N4-Oxide 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061206	Majdine 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061207	Mitraphylline; 7-Epimer, 10,11-Dimethoxy 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061208	Rauvoxine 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061209	Reserpiline; (4R)-N-Oxide 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061210	Reserpiline; (4S)-N-Oxide 	C23H28N2O6	428.194736	NA	MeJP	NA	NA
+MJ061211	Cytostatin 	C21H33O7P	428.196389	NA	MeJP	NA	NA
+MJ061212	1-[3-([1,1'-Biphenyl]-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl]cyclopentanecarboxylic acid 	C28H28O4	428.198759	NA	MeJP	NA	NA
+PJ001287	ATTH 	C17H28N6O7	428.202	NA	PeJP	NA	NA
+MJ061213	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-O-?-D-Glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061214	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 15-Aldehyde, 11?,13-dihydro, 1-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061215	1,3-Dihydroxy-12,6-eudesmanolide, 11,13-Didehydro, 1-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061216	1,3-Dihydroxy-12,6-eudesmanolide, 3-Ketone, 1-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061217	1,6-Dihydroxy-4,10(14),11(13)-germacratrien-12,8-olide, 11?,13-Dihydro, 6-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061218	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 4-O-?-D-Galactopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061219	2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 2-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061220	3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 3-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061221	3,14-Dihydroxy-1(10),4-germacradien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061222	3,7-Dihydroxy-4-eudesmen-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061223	3,8-Dihydroxy-1(10),4-germacradien-12,6-olide, 8-O-?-D-Glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061224	3,8-Dihydroxy-10(14)-guaien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061225	3,8-Dihydroxy-4(15),9,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 8-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061226	3,9,13-Trihydroxy-7-illuden-1-one, 9-O-?-D-Glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061227	3-Hydroxy-4,11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4?,5?-epoxide, 3-O-?-D-glucopyranoside 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061228	Floridanolide; 14-Butanoyloxy, 13-acetoxy 	C21H32O9	428.204632	NA	MeJP	NA	NA
+MJ061229	1-(2-Amino-1-oxopropyl)-2,3,3a,13a,14,15,16,18a-octahydro-8-methoxy-5,9-metheno-9H-dipyrrolo[3,2-b:1',2'-e][1,5,8]oxadiazacyclopentadecine-13,18-(1H,12H)-dione 	C22H28N4O5	428.20597	NA	MeJP	NA	NA
+MJ061230	1-(Diethylamino)-3-[(2,3-dimethoxy-6-nitro-9-acridinyl)amino]-2-propanol 	C22H28N4O5	428.20597	NA	MeJP	NA	NA
+MJ061231	Cyanonaphthyridinomycin; Hydroquinone 	C22H28N4O5	428.20597	NA	MeJP	NA	NA
+PJ001288	PPCL 	C19H32N4O5S	428.2094	NA	PeJP	NA	NA
+MJ061232	4-[2-Oxo-2-[[phenyl[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]benzoic acid 	C27H28N2O3	428.209992	NA	MeJP	NA	NA
+MJ061233	Quinine; Benzoyl 	C27H28N2O3	428.209992	NA	MeJP	NA	NA
+8182	ACE Inhibitor	ALEP	428.215	antibacterial	Inhouse_peptide	NA	peptide
+MJ061234	Alanylprolylglycyltryptophan; Amide 	C21H28N6O4	428.217203	NA	MeJP	NA	NA
+MJ061235	N-(2-Aminoethyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]acetamide 	C21H28N6O4	428.217203	NA	MeJP	NA	NA
+MJ061236	1,15-Dihydroxy-9,11(13)-chiloscyphadiene-8,12-dione; 15-Carboxylic acid, 1-O-(4,6-dimethyl-2,4-octadienoyl)(2E,4E,6?-) 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061237	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2,8-Diangeloyl 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061238	3,4-Epoxy-5,15,19-trihydroxybufa-14,20,22-trienolide, 15-Me ether 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061239	3,6-Dihydroxyfuranoeremophilan-9-one, 3-(3-Methyl-2-butenoyl), 6-angeloyl 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061240	3,6-Dihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(3-methyl-2-butenoyl) 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061241	3,6-Dihydroxyfuranoeremophilan-9-one, 3-Tigloyl, 6-angeloyl 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061242	3,6-Dihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(3-methyl-2-butenoyl) 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061243	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[2-(Angeloyloxymethyl)-2-butenoyl](E-) 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061244	Andibenin A; 6'-De-hydroxy 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061245	Andilesin A 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061246	Austalide K; 14?-Hydroxy 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061247	Ilicicolin F; Dechloro 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061248	Kampanol C 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061249	Pallidone G; ?5'-Isomer, 9',10'-didehydro 	C25H32O6	428.219888	NA	MeJP	NA	NA
+MJ061250	Zaldaride 	C26H28N4O2	428.221226	NA	MeJP	NA	NA
+MJ061251	Lobuprofen 	C25H33ClN2O2	428.223056	NA	MeJP	NA	NA
+PJ001289	APLE 	C19H32N4O7	428.2271	NA	PeJP	NA	NA
+C09038	Aspidoalbine	C24H32N2O5	428.2311	NA	KEGG	NA	NA
+MJ061252	13-Hydroxylupanine; O-(3,4-Dimethoxybenzoyl) 	C24H32N2O5	428.231122	NA	MeJP	NA	NA
+MJ061253	Aspidoalbine 	C24H32N2O5	428.231122	NA	MeJP	NA	NA
+MJ061254	Aspidospermiose 	C24H32N2O5	428.231122	NA	MeJP	NA	NA
+MJ061255	Falipamil 	C24H32N2O5	428.231122	NA	MeJP	NA	NA
+MJ061256	Metoserpate 	C24H32N2O5	428.231122	NA	MeJP	NA	NA
+MJ061257	Strychnosilidine; O-De-Ac 	C24H32N2O5	428.231122	NA	MeJP	NA	NA
+MJ061258	Irbesartan 	C25H28N6O	428.232459	NA	MeJP	NA	NA
+C07469	Irbesartan	C25H28N6O	428.2325	NA	KEGG	NA	NA
+MJ061259	11-(4-Acetylphenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one 	C29H32O3	428.235144	NA	MeJP	NA	NA
+PJ001290	GPQK 	C18H32N6O6	428.2384	NA	PeJP	NA	NA
+MJ061260	2,3,5,6,10,14,16-Grayanotoxaneheptol, 14-Ac 	C22H36O8	428.241018	NA	MeJP	NA	NA
+MJ061261	2,3,5,6,7,10,16-Grayanotoxaneheptol, 6-Ac 	C22H36O8	428.241018	NA	MeJP	NA	NA
+MJ061262	3,11-Dihydroxy-4-isophionanone; 11-O-(2-O-Acetyl-?-D-xylopyranoside) 	C22H36O8	428.241018	NA	MeJP	NA	NA
+MJ061263	5,11-Dihydroxy-4-iphionanone; 11-O-(2-O-Acetyl-?-D-xylopyranoside) 	C22H36O8	428.241018	NA	MeJP	NA	NA
+MJ061264	Lotrafiban 	C23H32N4O4	428.242355	NA	MeJP	NA	NA
+MJ061265	Nummularine F 	C23H32N4O4	428.242355	NA	MeJP	NA	NA
+C10011	Nummularine F	C23H32N4O4	428.2424	NA	KEGG	NA	NA
+MJ061266	Echinoclathrine C 	C25H36N2O2S	428.249749	NA	MeJP	NA	NA
+MJ061267	1-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one, 17',18'-Dihydro, 17'R-hydroxy 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061268	12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Carboxylic acid, 12-ketone 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061269	13,16-Epoxy-2-hydroxy-7,13(16),14-labdatrien-18-oic acid; 2?-form, O-(3-Methyl-2-pentenoyl) 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061270	19-Norpregna-1,3,5(10),20-tetraen-3-ol; 3-O-?-L-Fucopyranoside 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061271	2,9-Dihydroxy-4,10(14)-oplopadien-3-one, 9-(3-Methyl-2E-pentenoyl), 2-angeloyl 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061272	6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 16-Butanoyl, 20-Ac 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061273	6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 20-Butanoyl, 16-Ac 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061274	7,21-Dihydroxy-24,25,26,27-tetranor-3-oxoapotirucalla-14,20(22)-dien-23,21-olide 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061275	8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 11-Me ether, 7-(3-methyl-2-butenoyl) 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061276	Antibiotic AD 26-1 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061277	Demethylfurospongin 3; 1-Me ester 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061278	Demethylfurospongin 4; 1-Me ester 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061279	Dicirenone 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061280	Domoprednate 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061281	Maurapyrone A 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061282	Strongylophorine 8 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061283	Tricoccin S13 	C26H36O5	428.256274	NA	MeJP	NA	NA
+MJ061284	Vilasinin 	C26H36O5	428.256274	NA	MeJP	NA	NA
+PJ001291	SPLL 	C20H36N4O6	428.2635	NA	PeJP	NA	NA
+MJ061285	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,20,22-tetracosaundecaene-1,24-dial 	C30H36O2	428.27153	NA	MeJP	NA	NA
+PJ001292	GPKK 	C19H36N6O5	428.2747	NA	PeJP	NA	NA
+MJ061286	Phycomycin 	C23H40O7	428.277403	NA	MeJP	NA	NA
+MJ061287	12-Hydroxy-16-scalarene-24,25-dial, Ac 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061288	12-Hydroxy-17-scalaren-25,24-olide; 12?-form, Ac 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061289	14-Hydroxyspirost-4-en-3-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061290	15,20-Dihydroxycholesta-4,14-diene-3,16-dione; 20?-form 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061291	16,18,20-Trihydroxycholesta-1,4,22-trien-3-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061292	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Cyclohexanemethoxycarboxylate 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061293	17-Hydroxypregn-4-ene-3,20-dione, Hexanoyl 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061294	18,20-Dihydroxycholesta-1,4-diene-3,16-dione; 20S-form 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061295	18,22-Epoxy-18-hydroxycholest-5-ene-3,16-dione 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061296	2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 10',11'-Dihydro, 12'-oxo 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061297	2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 17'-Hydroxy 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061298	21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061299	24,25-Epoxy-17(24),18(25)-scalaradiene-12,16-diol, 16-Ac 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061300	24,25-Epoxy-17(24),18(25)-scalaradiene-12,16-diol, 12-Ac 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061301	24-Hydroperoxy-6-hydroxycholesta-4,25-dien-3-one, 6-Ketone 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061302	25-Hydroperoxy-6-hydroxycholesta-4,23-dien-3-one, 6-Ketone 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061303	3,23,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-26-oic acid, ?-Lactone 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061304	3-Hydroxyspirost-25(27)-en-12-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061305	3-Hydroxyspirost-5-en-11-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061306	3-Hydroxyspirost-5-en-12-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061307	3-Hydroxyspirost-5-en-7-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061308	3-Hydroxyspirost-9(11)-en-12-one 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061309	4-Hydroxy-2-(15-phenylpentadecanoyl)-1,3-cyclohexanedione 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061310	6-Hydroxy-2,8-dimethyl-2-(4,8,12-trimethyl-7,8-dihydroxy-3,11-tridecadienyl)-2H-chromene 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061311	Antibiotic BR 050 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061312	Bajamarin 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061313	Comnostin A 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061314	Furoscalarol 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061315	Litophytolide A 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061316	Paecilomycerol 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061317	Pycnophorin 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061318	Sargaquinone; 10',11'-Dihydroxy, 10',11'-dihydro 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061319	Sargatetraol 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061320	Spirosta-5,25(27)-diene-1,3-diol 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061321	Spirosta-5,25(27)-diene-3,11-diol 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061322	Spirostane-3,12-diol, 3,12-Diketone 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061323	Striatol; Demethyl 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061324	Stypotriol 	C27H40O4	428.292659	NA	MeJP	NA	NA
+MJ061325	Suberitenone A 	C27H40O4	428.292659	NA	MeJP	NA	NA
+C08148	Hydroxyprogesterone caproate	C27H40O4	428.2927	NA	KEGG	NA	NA
+PJ001293	ALLL 	C21H40N4O5	428.2999	NA	PeJP	NA	NA
+MJ061326	4,9-Dihydroxy-5,10-dimethyl-3,8-bis(5-methylhexyl)-1,6-dioxecane-2,7-dione 	C24H44O6	428.313789	NA	MeJP	NA	NA
+MJ061327	Ascorbic acid, 2-O-Octadecyl 	C24H44O6	428.313789	NA	MeJP	NA	NA
+MJ061328	Sigmosceptrellin D 	C24H44O6	428.313789	NA	MeJP	NA	NA
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	428.321747	MH2+	Inhouse_peptide	NA	peptide
+MJ061329	Antibiotic Sch 38512 	C23H44N2O5	428.325022	NA	MeJP	NA	NA
+MJ061330	Fluvirucin A; Fluvirucin A1 	C23H44N2O5	428.325022	NA	MeJP	NA	NA
+C08154	Nandrolone decanoate	C28H44O3	428.329	NA	KEGG	NA	NA
+HMDB06225	Ercalcitriol	C28H44O3	428.32904	http://www.hmdb.ca/metabolites/HMDB06225	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06225	Ercalcitriol	C28H44O3	428.32904	http://www.hmdb.ca/metabolites/HMDB06225	HMDB	NA	NA
+HMDB06225	Ercalcitriol	C28H44O3	428.32904	http://www.hmdb.ca/metabolites/HMDB06225	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06225	Ercalcitriol	C28H44O3	428.32904	HMDB06225	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06225	Ercalcitriol	C28H44O3	428.329041	NA	HMDB2010	NA	NA
+MJ061331	11,20-Dihydroxy-23-methylcholesta-1,22-dien-7-one 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061332	17-Hydroxyestr-4-en-3-one; 17?-form, Decanoyl 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061333	3,25-Dihydroxyergosta-5,24(28)-dien-7-one 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061334	4-(4-Octadecylphenyl)-4-oxo-2-butenoic acid 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061335	5,6-Epoxyergosta-8(14),22-diene-3,7-diol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061336	5,6-Epoxyergosta-8(14),24(28)-diene-3,7-diol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061337	5,6-Epoxyergosta-8,24(28)-diene-3,7-diol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061338	5,8-Epidioxy-23,24-didemethylgorgost-6-en-3-ol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061339	5,8-Epidioxyergosta-6,9(11),24(28)-trien-3-ol, 24,28-Dihydro 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061340	8,9-Epoxy-3-hydroxy-8,9-secoergosta-7,22-dien-12-one 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061341	8,9-Epoxyergosta-5,22-diene-3,15-diol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061342	9,10-Secoergosta-5,7,10(19),22-tetraene-3,24,26-triol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061343	9,10-Secoergosta-5,7,10(19),22-tetraene-3,25,26-triol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061344	Ergosta-5,24(28)-diene-3,16,20-triol, 16-Ketone 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061345	Ergosta-5,8,22-triene-3,7-diol, 5?,6?-Epoxide 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061346	Ergosta-7,22,25-triene-3,5,6-triol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061347	Ergosta-7,22-diene-3,5,6-triol, 6-Ketone 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061348	Ergosta-7,24(28)-diene-3,5,6-triol, 6-Ketone 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061349	Ergosta-7,9(11),22-triene-3,5,6-triol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061350	Ergosterol peroxide 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061351	Nalodionol 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061352	Stoloniferone B; 22,23-Dihydro 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061353	Stoloniolide I; 22,23-Dihydro 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MJ061354	Variecoacetal A; 5-O-De-Me, 5-Et ether 	C28H44O3	428.329045	NA	MeJP	NA	NA
+MetaCyc03523	4&alpha;-carboxy-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C28H44O3	428.329045	NA	metacyc	NA	NA
+MJ061355	Buxaminol I; N3,N3-Di-Me, N20-formyl 	C27H44N2O2	428.340278	NA	MeJP	NA	NA
+MJ061356	Buxiramine D 	C27H44N2O2	428.340278	NA	MeJP	NA	NA
+MJ061357	Cevanine 	C27H44N2O2	428.340278	NA	MeJP	NA	NA
+MJ061358	Solanocapsine; 5,6-Didehydro 	C27H44N2O2	428.340278	NA	MeJP	NA	NA
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR415	Vitamine E F1	NA	428.355275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR415	Vitamine E F1	NA	428.355275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR415	Vitamine E F1	NA	428.355275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR415	Vitamine E F1	NA	428.355275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR415	Vitamin E F1	F1	428.355275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C03910	(24R,24'R)-Fucosterol epoxide	C29H48O2	428.3654	NA	KEGG	NA	NA
+C11509	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde	C29H48O2	428.3654	NA	KEGG	NA	NA
+HMDB03822	Cholesteryl acetate	C29H48O2	428.365417	NA	HMDB2010	NA	NA
+HMDB12168	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	C29H48O2	428.365417	NA	HMDB2010	NA	NA
+HMDB03822	Cholesteryl acetate	C29H48O2	428.36542	http://www.hmdb.ca/metabolites/HMDB03822	HMDB	NA	NA
+HMDB03822	Cholesteryl acetate	C29H48O2	428.36542	HMDB03822	PFEM_hmdb_metabocards_official	NA	NA
+MJ061359	1-Hydroxystigmast-4-en-3-one 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061360	11,14,17,20,23-Nonacosapentaenoic acid 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061361	14-Methylergosta-9(11),24(28)-dien-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061362	17-Hydroxy-28-nor-3-friedelanone; 17?-form 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061363	19-Hydroxy-30-nor-22-hopanone; 19?-form 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061364	20-Hydroxy-30-norursan-3-one; 20?-form 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061365	21-Hydroxy-29-nor-22-hopanone; 21?-form 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061366	22,29,30-Trinor-21-hopanol; 21?-form, Ac 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061367	22,29-Epoxy-30-norhopan-13-ol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061368	22-Hydroxy-30-nor-21-gammaceranone; 22?-form 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061369	23-Methylergosta-5,22-diene-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061370	24,25-Epoxy-29-norcycloartan-3-ol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061371	26,27-Cyclo-24,26-dimethylcholest-5-ene-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061372	26,27-Dimethyl-9,10-secocholesta-5,7,10(19)-triene-3,25-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061373	28-Nor-12-oleanene-3,17-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061374	28-Nor-20(29)-lupene-3,17-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061375	29-Norcycloart-23-ene-3,25-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061376	29-Norcycloart-24-en-3-ol, 24,25-Epoxide 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061377	3-Hydroxy-20-methylergost-24-en-23-one 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061378	3-Hydroxy-26,27-dinorlanost-9(11)-en-24-one, Me ether 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061379	3-Hydroxy-27-norcycloartan-24-one 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061380	3-Hydroxystigmast-22-en-6-one 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061381	30-Nor-3,20-lupanediol, 20-Ketone 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061382	4-Methylergosta-7,24(28)-diene-3,4-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061383	4-Methylergosta-8,24(28)-diene-3,4-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061384	6-Hydroxystigmast-4-en-3-one 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061385	8,9-Epoxy-8,9-secoergosta-7,9(11)-dien-3-ol, Me ether 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061386	Adipedatol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061387	Ergosta-5,24(28)-diene-3,7-diol, 7-Me ether 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061388	Roxburghiadiol A 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061389	Stigmast-5-ene-3,4-diol, 25,26-Didehydro 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061390	Stigmast-5-ene-3,7-diol, 7-Ketone 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061391	Stigmasta-4,25-diene-3,6-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061392	Stigmasta-5,22-diene-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061393	Stigmasta-5,24(28)-dien-3-ol, 24S,28S-Epoxide 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061394	Stigmasta-5,24(28)-diene-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061395	Stigmasta-5,25-diene-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061396	Stigmasta-5,28-diene-3,20-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061397	Stigmasta-5,28-diene-3,24-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061398	Stigmasta-7,24(28)-dien-3-ol, 24R,28R-Epoxide 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061399	Stigmasta-7,24(28)-dien-3-ol, 24S,28S-Epoxide 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061400	Stigmasta-7,25-diene-2,3-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061401	Stigmasta-7,28-diene-3,24-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061402	Stigmasta-8(14),24(28)-diene-3,7-diol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061403	Stigmastane-3,6-diol, Diketone 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MJ061404	Surianol 	C29H48O2	428.36543	NA	MeJP	NA	NA
+MetaCyc03524	4&alpha;-hydroxymethyl-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C29H48O2	428.365431	NA	metacyc	NA	NA
+MetaCyc03525	(22&alpha;)-hydroxy-isofucosterol []	C29H48O2	428.365431	NA	metacyc	NA	NA
+MJ061405	Buxidienine I; 16-Deoxy, N-tetra-Me 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+MJ061406	Chonemorphine; N-(3-Methyl-2-butenoyl) 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+MJ061407	Chonemorphine; N-Tigloyl 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+MJ061408	Cyclobuxoxazine C; N-Me, 16-deoxy 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+MJ061409	Cycloprotobuxine I; N3,N20-Di-Me, N20-Ac 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+MJ061410	Cyclovirobuxeine I; N-Tetra-Me 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+MJ061411	Pregnane-3,20-diamine, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H48N2O	428.376664	NA	MeJP	NA	NA
+C05109	24,25-Dihydrolanosterol	C30H52O	428.4018	NA	KEGG	NA	NA
+C06083	Tetrahymanol	C30H52O	428.4018	NA	KEGG	NA	NA
+C06084	Hopanoid	C30H52O	428.4018	NA	KEGG	NA	NA
+C06085	Triterpenoid	C30H52O	428.4018	NA	KEGG	NA	NA
+C06309	Diplopterol	C30H52O	428.4018	NA	KEGG	NA	NA
+C17123	epi-Friedelanol	C30H52O	428.4018	NA	KEGG	NA	NA
+MJ061412	1-Friedelanol; 1?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061413	13,17,21-Polypodatrien-8-ol; 8?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061414	14-Methylstigmast-9(11)-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061415	17-Hopanol; 17?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061416	20-Lupanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061417	22-Hopanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061418	24-Methyl-27-norlanostan-25-one; 24?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061419	24-Methylstigmastan-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061420	24-Propylidenecholest-5-en-3-ol, 24R,28-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061421	24-Propylidenecholest-5-en-3-ol, 5?,6-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061422	26,26-Dimethylergost-7-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061423	28-Methylstigmast-22-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061424	28-Methylstigmast-5-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061425	29-Hopanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061426	3,4-Secodammara-4,24-dien-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061427	3-Friedelanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061428	3-Gammaceranol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061429	3-Hopanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061430	3-Hydroxymethyl-A-norgorgostane 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061431	3-Lupanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061432	4,14,24-Trimethylcholest-9(11)-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061433	4,23-Dimethylergost-17(20)-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061434	4,23-Dimethylergosta-7,22-dien-3-ol, 22,23?-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061435	4-Methylstigmast-7-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061436	4-Methylstigmasta-8(14),24(28)-dien-3-ol, 24,28-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061437	4-Methylstigmastan-3-ol, 8,14-Didehydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061438	7-Friedelanol; 7?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061439	8,14-Epoxyonocerane 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061440	9,13,17,21-Achillatetraen-6-ol; 6?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061441	Ambrein 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061442	Camelliol B 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061443	Colysanoxide 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061444	Cycloartan-29-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061445	Cycloartanol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061446	Cycloeucalenol; 24R,28-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061447	Cycloeucalenol; 24S,28-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061448	Dammar-24-en-20-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061449	Dinosterol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061450	Euph-25-en-3-ol; 3?-form 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061451	Euph-7-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061452	Graminol A 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061453	Lanost-25-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061454	Lanost-8-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061455	Lanost-9(11)-en-3-ol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061456	Sasanquol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061457	Tirucalla-5,24-dien-3-ol, 24,25-Dihydro 	C30H52O	428.401816	NA	MeJP	NA	NA
+MJ061458	24,25-Dihydrolanosterol 	C30H52O	428.401816	NA	MeJP	NA	NA
+MetaCyc03526	hopan-22-ol [diplopterol;]	C30H52O1	428.401816	NA	metacyc	NA	NA
+MetaCyc03527	4,4-dimethyl-5&alpha;-cholest-7-en-3&beta;-ol []	C30H52O1	428.401816	NA	metacyc	NA	NA
+HMDB06836	Tetrahymanol	C30H52O	428.40182	http://www.hmdb.ca/metabolites/HMDB06836	HMDB	NA	NA
+HMDB06839	24,25-Dihydrolanosterol	C30H52O	428.40182	http://www.hmdb.ca/metabolites/HMDB06839	HMDB	NA	NA
+HMDB06836	Tetrahymanol	C30H52O	428.40182	HMDB06836	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06839	24,25-Dihydrolanosterol	C30H52O	428.40182	HMDB06839	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06836	Tetrahymanol	C30H52O	428.401825	NA	HMDB2010	NA	NA
+HMDB06839	24,25-Dihydrolanosterol	C30H52O	428.401825	NA	HMDB2010	NA	NA
+2801	peptide T	ASTTTNYT	428.68145	MH2+	Inhouse_peptide	NA	peptide
+MJ061459	2,3,4,6-Tetrabromo-1H-indole 	C8H3Br4N	428.699899	NA	MeJP	NA	NA
+MJ061460	2,3,4,7-Tetrabromo-1H-indole 	C8H3Br4N	428.699899	NA	MeJP	NA	NA
+MJ061461	2,3,5,6-Tetrabromo-1H-indole 	C8H3Br4N	428.699899	NA	MeJP	NA	NA
+C10907	Cloransulam-methyl	C15H13ClFN5O5S	429.031	NA	KEGG	NA	NA
+MJ061462	Suncillin 	C16H19N3O7S2	429.066441	NA	MeJP	NA	NA
+MJ061463	Antibiotic A 2121; Antibiotic A 2121-1, Aglycone 	C20H15NO10	429.069595	NA	MeJP	NA	NA
+MJ061464	Salazodine 	C18H15N5O6S	429.074303	NA	MeJP	NA	NA
+MJ061465	Cycloplatam 	C9H18N2O5Pt	429.086346	NA	MeJP	NA	NA
+MJ061466	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; N-?-D-Glucopyranosyl 	C21H19NO9	429.105981	NA	MeJP	NA	NA
+MJ061467	Zofenoprilat; S-Benzoyl 	C22H23NO4S2	429.106849	NA	MeJP	NA	NA
+MJ061468	Azalanstat 	C22H24ClN3O2S	429.127775	NA	MeJP	NA	NA
+MJ061469	6-(1H-Indol-3-yl)-8-(2,3,4,5-tetrahydroxypentyl)-2,4,7-(1H,3H,8H)-pteridinetrione; D-ribo-form 	C19H19N5O7	429.128447	NA	MeJP	NA	NA
+MJ061470	Chromopyrrolic acid; 5'-Hydroxy, di-Me ester 	C24H19N3O5	429.13247	NA	MeJP	NA	NA
+MJ061471	Adlumidiceine; 1-Hydroxy, Me ester 	C22H23NO8	429.142366	NA	MeJP	NA	NA
+MJ061472	Antibiotic FD 839 	C22H23NO8	429.142366	NA	MeJP	NA	NA
+MJ061473	Bicucullinidine 	C22H23NO8	429.142366	NA	MeJP	NA	NA
+MJ061474	Coryrutine; 1-Oxo 	C22H23NO8	429.142366	NA	MeJP	NA	NA
+MJ061475	N-Methyloxohydrasteine 	C22H23NO8	429.142366	NA	MeJP	NA	NA
+PJ001294	GCNH 	C15H23N7O6S	429.1431	NA	PeJP	NA	NA
+MJ061476	3-Nitro-1-propanol; O-[?-D-Galactopyranosyl-(1?6)-?-D-glucopyranoside] 	C15H27NO13	429.148239	NA	MeJP	NA	NA
+MJ061477	3-Nitro-1-propanol; O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C15H27NO13	429.148239	NA	MeJP	NA	NA
+MJ061478	3-Nitro-1-propanol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C15H27NO13	429.148239	NA	MeJP	NA	NA
+MJ061479	?-D-Neuraminopyranosyl-(2?3)-D-galactose 	C15H27NO13	429.148239	NA	MeJP	NA	NA
+MJ061480	Amicycline 	C21H23N3O7	429.1536	NA	MeJP	NA	NA
+MJ061481	Eurypamide C 	C21H23N3O7	429.1536	NA	MeJP	NA	NA
+MJ061482	Serratiochelin 	C21H23N3O7	429.1536	NA	MeJP	NA	NA
+MJ061483	Biemnadin 	C27H19N5O	429.15896	NA	MeJP	NA	NA
+MJ061484	Simmondsin; Di-O-de-Me, 2-O-(3-methyl-2-butenoyl) 	C19H27NO10	429.163496	NA	MeJP	NA	NA
+MJ061485	Simmondsin; Di-O-de-Me, 3-O-(3-methyl-2-butenoyl) 	C19H27NO10	429.163496	NA	MeJP	NA	NA
+MJ061486	Simmondsin; Di-O-de-Me, 4-O-(3-methyl-2-butenoyl) 	C19H27NO10	429.163496	NA	MeJP	NA	NA
+MJ061487	Pyroglutamylasparaginyltryptophan 	C20H23N5O6	429.164833	NA	MeJP	NA	NA
+MJ061488	Florifenine 	C23H22F3N3O2	429.166411	NA	MeJP	NA	NA
+PJ001295	PPCN 	C17H27N5O6S	429.1682	NA	PeJP	NA	NA
+MJ061489	Phenactropinium(1+), Chloride 	C24H28ClNO4	429.170686	NA	MeJP	NA	NA
+MJ061490	Metioxate 	C22H27N3O4S	429.172227	NA	MeJP	NA	NA
+7980	synthetic peptide	HHH	429.174	antioxidative	Inhouse_peptide	NA	peptide
+MJ061491	Jacmaia incana Alkaloid 	C23H27NO7	429.178752	NA	MeJP	NA	NA
+MJ061492	Nuciferine, O2,N-Di-de-Me, O-?-D-glucopyranoside 	C23H27NO7	429.178752	NA	MeJP	NA	NA
+MJ061493	Senampelines; Senampeline G, 5-Deacetoxy, 5-oxo 	C23H27NO7	429.178752	NA	MeJP	NA	NA
+MJ061494	Thalicsimidine, N-De-Me, N-methoxycarbonyl 	C23H27NO7	429.178752	NA	MeJP	NA	NA
+PJ001296	GPQE 	C17H27N5O8	429.186	NA	PeJP	NA	NA
+PJ001297	HHH 	C18H23N9O4	429.1873	NA	PeJP	NA	NA
+3382	ACE inhibitor	GWAP	429.189	celiac toxic	Inhouse_peptide	NA	peptide
+8047	synthetic peptide	PWQ	429.189	anticancer	Inhouse_peptide	NA	peptide
+MJ061495	Verruculogen TR2 	C22H27N3O6	429.189985	NA	MeJP	NA	NA
+PJ001298	TFY 	C22H27N3O6	429.19	NA	PeJP	NA	NA
+MJ061496	17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)morphinan-6-one 	C27H27NO4	429.194008	NA	MeJP	NA	NA
+PJ001299	PQW 	C21H27N5O5	429.2012	NA	PeJP	NA	NA
+MJ061497	Piscarinine B 	C26H27N3O3	429.205241	NA	MeJP	NA	NA
+MJ061498	Alpinigenine, Et ether 	C24H31NO6	429.215137	NA	MeJP	NA	NA
+MJ061499	Apiosporamide 	C24H31NO6	429.215137	NA	MeJP	NA	NA
+MJ061500	Hetisan-2,11,13,14-tetrol, 2,13-Di-Ac 	C24H31NO6	429.215137	NA	MeJP	NA	NA
+MJ061501	Sarpogrelate 	C24H31NO6	429.215137	NA	MeJP	NA	NA
+MJ061502	Diphthine; 1'-Amide, 1-?-D-ribofuranoside 	C18H31N5O7	429.222348	NA	MeJP	NA	NA
+PJ001300	GPKE 	C18H31N5O7	429.2224	NA	PeJP	NA	NA
+MJ061503	Athelvencin B 	C19H27N9O3	429.223685	NA	MeJP	NA	NA
+MJ061504	Sibanomicin 	C23H31N3O5	429.226371	NA	MeJP	NA	NA
+PJ001301	GPTR 	C17H31N7O6	429.2336	NA	PeJP	NA	NA
+PJ001302	PKW 	C22H31N5O4	429.2376	NA	PeJP	NA	NA
+MJ061505	Melagatran 	C22H31N5O4	429.237604	NA	MeJP	NA	NA
+MJ061506	2-Undecyl-4(1H)-quinolinone; 10'-Acetoxy, N-(acetoxymethyl) 	C25H35NO5	429.251523	NA	MeJP	NA	NA
+MJ061507	Antibiotic F 1839A; 2-Deoxy, N-(2-hydroxyethyl) 	C25H35NO5	429.251523	NA	MeJP	NA	NA
+MJ061508	Mebeverine 	C25H35NO5	429.251523	NA	MeJP	NA	NA
+MJ061509	Spirodihydrobenzofuranlactam I; N-(2-Hydroxyethyl) 	C25H35NO5	429.251523	NA	MeJP	NA	NA
+MJ061510	Stachybotrin 	C25H35NO5	429.251523	NA	MeJP	NA	NA
+MJ061511	Yuzurimine; 20-Deacetoxy 	C25H35NO5	429.251523	NA	MeJP	NA	NA
+PJ001303	SPVK 	C19H35N5O6	429.2588	NA	PeJP	NA	NA
+MJ061512	Mifepristone 	C29H35NO2	429.266779	NA	MeJP	NA	NA
+MJ061513	Miproxifene 	C29H35NO2	429.266779	NA	MeJP	NA	NA
+C07652	Mifepristone	C29H35NO2	429.2668	NA	KEGG	NA	NA
+C13848	UK 78282	C29H35NO2	429.2668	NA	KEGG	NA	NA
+PJ001304	AALR 	C18H35N7O5	429.27	NA	PeJP	NA	NA
+PJ001305	VRR 	C17H35N9O4	429.2812	NA	PeJP	NA	NA
+MJ061514	Adaprolol 	C26H39NO4	429.287908	NA	MeJP	NA	NA
+MJ061515	Antibiotic AB 4063B; 1'',2''-Epoxide 	C26H39NO4	429.287908	NA	MeJP	NA	NA
+MJ061516	Antibiotic PF 1052 	C26H39NO4	429.287908	NA	MeJP	NA	NA
+MJ061517	Piericidin; Piericidin A1, 10'-Me ether 	C26H39NO4	429.287908	NA	MeJP	NA	NA
+MJ061518	Piericidin; Piericidin A2 	C26H39NO4	429.287908	NA	MeJP	NA	NA
+MJ061519	Toloconium(1+), Methyl sulfate 	C23H43NO4S	429.291279	NA	MeJP	NA	NA
+PJ001306	GLLK 	C20H39N5O5	429.2951	NA	PeJP	NA	NA
+HMDB00712	Hexadecanedioic acid mono-L-carnitine ester	C23H43NO6	429.30905	http://www.hmdb.ca/metabolites/HMDB00712	HMDB	NA	NA
+HMDB00712	Hexadecanedioic acid mono-L-carnitine ester	C23H43NO6	429.30905	HMDB00712	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00712	Hexadecanedioic acid mono-L-carnitine ester	C23H43NO6	429.309052	NA	HMDB2010	NA	NA
+MJ061520	3,25-Dihydroxy-6-cevanone 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061521	3,6,14-Cevanetriol, 6-Ketone 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061522	3,6,16-Cevanetriol, 6-Ketone 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061523	5-Spirosolene-3,23-diol 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061524	Cevane-3,6,20-triol, 6-Ketone 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061525	Ebeietinone 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061526	Edpetisidine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061527	Edpetisidinine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061528	Hakurirodine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061529	Imperialine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061530	Isorubijervine; 12?-Hydroxy 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061531	Korsine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061532	Siechuantine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061533	Solanudine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061534	Spirosol-5-en-3-ol, N-Hydroxy 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061535	Spirosol-5-ene-3,12-diol 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061536	Spirosol-5-ene-3,15-diol 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061537	Spirosol-5-ene-3,21-diol 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061538	Spirosol-5-ene-3,27-diol 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061539	Spirosolane-3,15-diol, 15-Ketone 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061540	Stenanzine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+MJ061541	Veramarine 	C27H43NO3	429.324294	NA	MeJP	NA	NA
+C10808	Imperialine	C27H43NO3	429.3243	NA	KEGG	NA	NA
+MJ061542	16,28-Secosolanid-5-ene-3,16-diol, N-Me 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+MJ061543	20-Aminopregnan-3-ol, N-Di-Me, O-(3-methyl-2-butenoyl) 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+MJ061544	Edpetilidinine 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+MJ061545	Mycalazoles; Mycalazole 3, 11',12',20',21'-Tetrahydro 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+MJ061546	Ningpeisine 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+MJ061547	Puqietinone 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+MJ061548	Rhinolidine 	C28H47NO2	429.360679	NA	MeJP	NA	NA
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR416	Vitamine E F2	NA	429.366975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR416	Vitamine E F2	NA	429.366975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR416	Vitamine E F2	NA	429.366975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR416	Vitamine E F2	NA	429.366975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR416	Vitamin E F2	F2	429.366975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12171	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	C29H49O2	429.37326	NA	HMDB2010	NA	NA
+7666	ACE inhibitor from b-CN (191-197)	LLYQQPV	429.7335	MH2+	Inhouse_peptide	NA	peptide
+MJ061549	Oregonene A 	C10H12Br2Cl4	429.805986	NA	MeJP	NA	NA
+MJ061550	Amathaspiramide C; 1,2-Didehydro 	C15H16Br2N2O3	429.952767	NA	MeJP	NA	NA
+C13706	DNDS	C14H10N2O10S2	429.9777	NA	KEGG	NA	NA
+MJ061551	Caespitol 	C15H25Br2ClO2	429.990983	NA	MeJP	NA	NA
+MJ061552	Isocaespitol 	C15H25Br2ClO2	429.990983	NA	MeJP	NA	NA
+C17111	Caespitol	C15H25Br2ClO2	429.991	NA	KEGG	NA	NA
+C17112	Isocaespitol	C15H25Br2ClO2	429.991	NA	KEGG	NA	NA
+MJ061553	1,3-Diamino-2-propanol; N-Hexa-Me, diiodide 	C9H24I2N2O	429.9978	NA	MeJP	NA	NA
+MJ061554	18,18-Dibromo-9,17-octadecadiene-5,7-diynoic acid, 9,10-Dihydro 	C18H24Br2O2	430.014305	NA	MeJP	NA	NA
+MJ061555	Dinsed 	C14H14N4O8S2	430.025304	NA	MeJP	NA	NA
+PJ001307	CCCC 	C12H22N4O5S4	430.0473	NA	PeJP	NA	NA
+MJ061556	Salazinic acid; 1''-O-Ac 	C20H14O11	430.053611	NA	MeJP	NA	NA
+C08160	Bicalutamide	C18H14F4N2O4S	430.061	NA	KEGG	NA	NA
+C08161	Transferred to D00962	C18H14F4N2O4S	430.061	NA	KEGG	NA	NA
+MJ061557	Bicalutamide 	C18H14F4N2O4S	430.06104	NA	MeJP	NA	NA
+MJ061558	CMP-2-aminoethylphosphonate 	C11H20N4O10P2	430.065465	NA	MeJP	NA	NA
+C05673	CMP-2-aminoethylphosphonate	C11H20N4O10P2	430.0655	NA	KEGG	NA	NA
+FL3FA9GS0004	Chrysin 7-glucuronide	C21H18O10	430.08999	35775-49-6	knapsack	NA	NA
+FL3FACCS0040	Derhamnosylmaysin	C21H18O10	430.08999	-	knapsack	NA	NA
+FL5FGGNS0017	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone	C21H18O10	430.08999	82668-93-7	knapsack	NA	NA
+FLIE1AGS0001	Coumestrol 3-O-glucoside;Coumestrin	C21H18O10	430.08999	92631-72-6	knapsack	NA	NA
+MJ061559	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',5,8-Tetra-Me, 4',5':6,7-bis(methylene) ether 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061560	3,3',4',5,5',7-Hexahydroxy-4-(2,4,6-trihydroxyphenyl)flavan 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061561	4',7-Dihydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061562	5,7-Dihydroxyflavone; 7-O-Glucuronoside 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061563	Coumestrol; 3-O-?-D-Glucopyranoside 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061564	Hypoconstictic acid; 1''-Ac 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061565	Verrucigeric acid 	C21H18O10	430.089996	NA	MeJP	NA	NA
+MJ061566	3,4-Bis(4-hydroxyphenyl)hexane, Diphosphate 	C18H24O8P2	430.09464	NA	MeJP	NA	NA
+MJ061567	Graciosallene 	C19H27BrO6	430.099101	NA	MeJP	NA	NA
+C10915	Bispyribac acid	C19H18N4O8	430.1125	NA	KEGG	NA	NA
+C11370	N-Ethylmaleimide-S-glutathione	C16H22N4O8S	430.1158	NA	KEGG	NA	NA
+MJ061568	Cyanobacterin 	C23H23ClO6	430.118316	NA	MeJP	NA	NA
+HMDB10334	Ketoprofen glucuronide	C22H22O9	430.126373	NA	HMDB2010	NA	NA
+FL1AAAGM0001	4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside	C22H22O9	430.12638	124089-66-3	knapsack	NA	NA
+FL3FA9CS0006	Kaplanin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one	C22H22O9	430.12638	329229-05-2	knapsack	NA	NA
+FL3FAAGM0001	3-C-Methylapigenin 5-rhamnoside	C22H22O9	430.12638	87339-63-7	knapsack	NA	NA
+FL3FAAGM0002	5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside	C22H22O9	430.12638	92358-40-2	knapsack	NA	NA
+FL3FABGS0014	Acacetin 7-O-alpha-L-rhamnopyranoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O9	430.12638	77208-28-7	knapsack	NA	NA
+FL3FADCS0003	Alternanthin;6-(2,6-Dideoxy-beta-L-xylo-hexopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O9	430.12638	119269-48-6	knapsack	NA	NA
+FL3FAECS0003	Torosaflavone B;6-(2,6-Dideoxy-beta-D-lyxo-hexopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O9	430.12638	124961-71-3	knapsack	NA	NA
+FL3FCACS0005	8-C-Rhamnosylgenkwanin	C22H22O9	430.12638	106132-81-4	knapsack	NA	NA
+FL3FCBCS0001	7,4'-Di-O-Methylisomollupentin	C22H22O9	430.12638	-	knapsack	NA	NA
+FL3FE9GS0011	5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside	C22H22O9	430.12638	163350-29-6	knapsack	NA	NA
+FL5F39GS0001	3,7-Dihydroxy-8-methylflavone 7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-hydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one	C22H22O9	430.12638	217815-44-6	knapsack	NA	NA
+FL5F9AGL0001	3-Hydroxy-4'-methoxyflavone 3-glucoside	C22H22O9	430.12638	135557-21-0	knapsack	NA	NA
+FL63ACNS0023	Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)	C22H22O9	430.12638	99257-73-5	knapsack	NA	NA
+FLIA1ACS0006	Puerarin 4'-methyl ether	C22H22O9	430.12638	92117-94-7	knapsack	NA	NA
+FLIA1AGS0002	Ononin;Formononetin 7-O-glucoside	C22H22O9	430.12638	486-62-4	knapsack	NA	NA
+FLIAE9GS0001	5,7-Dihydroxy-6-methoxyisoflavone 7-O-rhamnoside	C22H22O9	430.12638	88607-80-1	knapsack	NA	NA
+MJ061569	1,2-Dihydroxy-7-methylanthraquinone; 2-Me ether, 1-O-?-D-glucopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061570	1,3,8-Trihydroxy-2-methylanthraquinone; 8-Me ether, 3-O-?-L-rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061571	3,3',4',5,7-Pentahydroxyflavan, 3-O-(1,6-Dihydroxy-2-cyclohexene-1-carboxylate) 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061572	3,4'-Dihydroxyflavone; 4'-Me ether, 3-O-?-D-glucopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061573	3,7,8-Trihydroxyflavone; 8-Me ether, 7-O-?-L-rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061574	4',5,7-Trihydroxy-3'-methylflavone; 4'-O-?-L-Rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061575	4',5,7-Trihydroxy-3-methylflavone; 5-O-?-L-Rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061576	4',5,7-Trihydroxy-8-rhamnopyranosylflavone; 7-Me ether 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061577	4',5,7-Trihydroxyflavone; 5,7-Di-Me ether, 4'-O-?-D-apiofuranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061578	4',7-Dihydroxyisoflavone; 7-Me ether, 4'-O-?-D-glucopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061579	4,4',6-Trihydroxy-7-methylaurone; 4-O-?-L-Rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061580	4-Hydroxybenzaldehyde; O-[4-Hydroxycinnamoyl-(?3 or 4)-?-D-glucopyranoside] 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061581	5,6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-?-L-rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061582	5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061583	5,7-Dihydroxy-6-methoxyflavone; 5-O-?-L-Rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061584	5,7-Dihydroxyflavone; 7-Me ether, 5-O-?-D-glucopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061585	6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-Me ether, 6-O-?-D-galactopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061586	6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-Me ether, 6-O-?-D-glucopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061587	7-Hydroxy-4'-methoxyisoflavone; 7-O-?-D-Glucopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061588	8-Glucosyl-5,7-dihydroxyflavone; 7-Me ether 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061589	Alternanthin 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061590	Maackiain, O-?-L-Rhamnopyranoside 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061591	Multiforisin D 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061592	Phenarctin; 2'-Me ether 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061593	Puerarin; 4'-Me ether 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MJ061594	Torosaflavone B 	C22H22O9	430.126382	NA	MeJP	NA	NA
+MetaCyc03528	ononin []	C22H22O9	430.126382	NA	metacyc	NA	NA
+MetaCyc03529	formononetin-7-O-glucoside []	C22H22O9	430.126382	NA	metacyc	NA	NA
+C10509	Ononin	C22H22O9	430.1264	NA	KEGG	NA	NA
+PJ001308	GCDH 	C15H22N6O7S	430.1271	NA	PeJP	NA	NA
+MJ061595	4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; 1-(3-Methylbutanoyl), 1'''-(2-methyl-2E-butenoyl) 	C23H26O4S2	430.12725	NA	MeJP	NA	NA
+MJ061596	4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; 1-(3-Methylbutanoyl), 1'''-(3-methyl-2-butenoyl) 	C23H26O4S2	430.12725	NA	MeJP	NA	NA
+MJ061597	Inosine; 3'-O-?-D-Glucopyranosyl 	C16H22N4O10	430.133592	NA	MeJP	NA	NA
+MJ061598	Tetrahydro-6-(1-iodo-3,6,9-pentadecatrienyl)-2H-pyran-2-one 	C20H31IO2	430.136873	NA	MeJP	NA	NA
+MJ061599	6-Demethyltetracycline 	C21H22N2O8	430.137615	NA	MeJP	NA	NA
+MJ061600	Fostriecin 	C19H27O9P	430.139268	NA	MeJP	NA	NA
+C09971	Stypandrol	C26H22O6	430.1416	NA	KEGG	NA	NA
+MJ061601	Stypandrol 	C26H22O6	430.141638	NA	MeJP	NA	NA
+MJ061602	1-O-Coumaroylglycerol, 3'-Methoxy, 3-O-?-D-glucopyranoside 	C19H26O11	430.147511	NA	MeJP	NA	NA
+MJ061603	1-O-Coumaroylglycerol, 3'-Methoxy, 2-O-?-D-glucopyranoside 	C19H26O11	430.147511	NA	MeJP	NA	NA
+MJ061604	1-O-Coumaroylglycerol, 3'-Methoxy, 3-O-?-D-glucopyranoside 	C19H26O11	430.147511	NA	MeJP	NA	NA
+MJ061605	2'-Hydroxyacetophenone; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O11	430.147511	NA	MeJP	NA	NA
+MJ061606	4'-Hydroxyacetophenone; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O11	430.147511	NA	MeJP	NA	NA
+MJ061607	Geniposidic acid; 10-Ac, Me ester 	C19H26O11	430.147511	NA	MeJP	NA	NA
+PJ001309	PPCD 	C17H26N4O7S	430.1522	NA	PeJP	NA	NA
+MJ061608	5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol; O2-Me 	C25H22N2O5	430.152871	NA	MeJP	NA	NA
+FL5FEANI0005	Aliarin 4'-methyl ether;5,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-3,6-dimethoxy-4H-1-benzopyran-4-one	C23H26O8	430.16276	88048-20-8	knapsack	NA	NA
+FL5FEANI0007	3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one	C23H26O8	430.16276	343337-05-3	knapsack	NA	NA
+MJ061609	2-(1,4-Dihydroxy-4-methylpentyl)-5,8-dihydroxy-1,4-naphthoquinone, 1'-(3-Methyl-2-butenoyl), 4'-Ac 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061610	3,3',4,4',5,5'-Hexahydroxylignan-9,9'-olide, 3',4'-Methylene, 3,4,5,5'-tetra-Me ether 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061611	3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 3,4',6-tri-Me ether 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061612	3,4',5,6,7-Pentahydroxy-3'-prenylflavone; 2'',3''-Dihydro, 4''-hydroxy, 4',5,6-tri-Me ether 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061613	3,4,5,7-Tetramethoxy-3',4'-methylenedioxy-7,9':7',9-diepoxylignan 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061614	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3,8-Bis(2-hydroxymethylpropenoyl) 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061615	5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, O1'-(3-Acetoxy-3-methylbutanoyl) 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061616	8-Hydroxypinoresinol; 4'-Me ether, 8-Ac 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061617	Cluytene D 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061618	Deoxypodophyllic acid; Me ester 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061619	Eupomatilone 4 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061620	Imbricaric acid; 2''-Oxo 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061621	Patulodin 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061622	Peperomin B 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061623	Pneumatopterin C; 1''-Deoxy 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061624	Sesartemin 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061625	Sikkimotoxin 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061626	Stenosporic acid; 2'''-Oxo 	C23H26O8	430.162767	NA	MeJP	NA	NA
+MJ061627	Tenellic acid B; 1''-Ac 	C23H26O8	430.162767	NA	MeJP	NA	NA
+C10884	Sesartemin	C23H26O8	430.1628	NA	KEGG	NA	NA
+C13680	Lophotoxin	C23H26O8	430.1628	NA	KEGG	NA	NA
+PJ001310	GSMH 	C16H26N6O6S	430.1635	NA	PeJP	NA	NA
+MJ061628	Win 46834 	C24H22N4O4	430.164105	NA	MeJP	NA	NA
+MJ061629	[3-[[3-(2-Amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-1H-indol-5-yl]oxy]propyl]phosphonic acid 	C22H27N2O5P	430.165758	NA	MeJP	NA	NA
+MJ061630	9,15,16-Trihydroxy-7-isopimaren-19,6-olide, 16-Sulfate 	C20H30O8S	430.166138	NA	MeJP	NA	NA
+MJ061631	Thiobiscephalosporolide A 	C20H30O8S	430.166138	NA	MeJP	NA	NA
+PJ001311	GPEE 	C17H26N4O9	430.17	NA	PeJP	NA	NA
+8041	synthetic peptide	PWE	430.173	antioxidative	Inhouse_peptide	NA	peptide
+MJ061632	Avizafone 	C22H27ClN4O3	430.177168	NA	MeJP	NA	NA
+C11725	Avizafone	C22H27ClN4O3	430.1772	NA	KEGG	NA	NA
+C15027	2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate	C27H26O5	430.178	NA	KEGG	NA	NA
+PJ001312	SSTH 	C16H26N6O8	430.1812	NA	PeJP	NA	NA
+MJ061633	Amiperone 	C24H28ClFN2O2	430.182334	NA	MeJP	NA	NA
+MJ061634	2-Phenylethanol; O-[?-D-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O10	430.183897	NA	MeJP	NA	NA
+MJ061635	4,8-Dihydroxy-2-methyl-6-methylene-2-octenal, 8-O-(2,6-Diacetyl-?-D-glucopyranoside) 	C20H30O10	430.183897	NA	MeJP	NA	NA
+MJ061636	Papiliochrome II 	C21H26N4O6	430.185234	NA	MeJP	NA	NA
+PJ001313	PEW 	C21H26N4O6	430.1853	NA	PeJP	NA	NA
+PJ001314	SPPM 	C18H30N4O6S	430.1886	NA	PeJP	NA	NA
+MJ061637	4-[2-Nitro-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]ethenyl]phenol 	C26H26N2O4	430.189257	NA	MeJP	NA	NA
+PJ001315	QHF 	C20H26N6O5	430.1965	NA	PeJP	NA	NA
+MJ061638	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(3-methyl-2-butenoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061639	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-tigloyl 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061640	1,6,13-Trihydroxy-12,11-drimanolide, 6-Benzoyl, 13-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061641	2'-Deoxy-2'-(3-methyl-2-butenoyl)bruceol; 1''-Alcohol, 2''?,3''?-dihydro, 2'',3''-dihydroxy 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061642	2,17,19-Trihydroxy-1,13(16)14-spongiatrien-3-one; 17,19-Di-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061643	3,20-Epoxy-6,15-dihydroxy-16-kaurene-1,7-dione, Di-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061644	3,5,14-Trihydroxy-16,19-dioxobufa-20,22-dienolide 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061645	3,6-Dihydro-3,3',4,4',7-pentahydroxy-3,8'-bilign-8-en-6-one, 3,3',4,4'-Tetra-Me ether, 7'-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061646	4,6-Dihydroxy-8-daucen-10-one, 6-(3,4-Methylenedioxy-5-methoxybenzoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061647	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-(2-methylpropanoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061648	7,20-Epoxy-6,7,15-trihydroxy-2,16-kauradien-1-one, 6,15-Di-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061649	7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(2-hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061650	7-Protoilludene-5,6,9,14-tetrol, 14-Aldehyde, 5-(2-hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061651	7-Protoilludene-5,6,9,14-tetrol, 14-Aldehyde, 6-Me ether, 5-(2,4-dihydroxy-6-methylbenzoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061652	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(2-Methylpropanoyl), 11-angeloyl 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061653	Anziaic acid 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061654	Clusin; Et ether 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061655	Coleon J; 3-Epimer, 7,12-di-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061656	Coleon J; 7,12-Di-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061657	Coleon O; 12-Ac 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061658	Hexademethylpyrimidatin A; Hexa-Me ether 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061659	Hypophyllanthin 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061660	Imbricaric acid; 2'-Me ether 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061661	Kadsulignan N 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061662	Khellactone, Bis-O-(3-methylbutanoyl) 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061663	Mammea B/BA; 1'''-Acetoxy 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061664	Marinoic acid 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061665	Moslolignan A; 2'-Methoxy 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061666	Neomammein, 1'''-Acetoxy 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061667	Nirtetralin 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061668	Schizanlignone B; Me ether 	C24H30O7	430.199153	NA	MeJP	NA	NA
+MJ061669	Stenosporic acid; 2-Me ether 	C24H30O7	430.199153	NA	MeJP	NA	NA
+C09123	Athamantin	C24H30O7	430.1992	NA	KEGG	NA	NA
+MJ061670	N-[1-(Ethoxymethyl)-3-methylbutyl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide 	C22H30N4O3S	430.203861	NA	MeJP	NA	NA
+MJ061671	Diphthine; 1-?-D-Ribofuranoside 	C18H30N4O8	430.206363	NA	MeJP	NA	NA
+PJ001316	SPVE 	C18H30N4O8	430.2064	NA	PeJP	NA	NA
+MJ061672	13-Hydroxylupanine; O-(3,5-Dihydroxy-4-methoxybenzoyl) 	C23H30N2O6	430.210386	NA	MeJP	NA	NA
+MJ061673	Ajmalicinine; 10,11-Dimethoxy 	C23H30N2O6	430.210386	NA	MeJP	NA	NA
+MJ061674	Gardneramine oxindole; 16-Epimer 	C23H30N2O6	430.210386	NA	MeJP	NA	NA
+MJ061675	Herbaline 	C23H30N2O6	430.210386	NA	MeJP	NA	NA
+MJ061676	Jollyanine; 3-Hydroxy 	C23H30N2O6	430.210386	NA	MeJP	NA	NA
+MJ061677	Rotundifoline; 7-Epimer, Me ether, N-Oxide 	C23H30N2O6	430.210386	NA	MeJP	NA	NA
+C10762	Cinegalline	C23H30N2O6	430.2104	NA	KEGG	NA	NA
+2836	oxitocin	CYIQNCPLGG	430.21295	MH2+	Inhouse_peptide	NA	peptide
+MJ061678	9,10-Dihydro-2,4,7-trihydroxy-1-(4-hydroxybenzyl)-8-prenylphenanthrene; 2,4-Di-Me ether 	C28H30O4	430.214409	NA	MeJP	NA	NA
+MJ061679	Thymolphthalein 	C28H30O4	430.214409	NA	MeJP	NA	NA
+8093	peptide derived from porcine collagen	QGAR	430.217	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001317	GVQQ 	C17H30N6O7	430.2176	NA	PeJP	NA	NA
+MJ061680	Netropsin 	C18H26N10O3	430.218934	NA	MeJP	NA	NA
+MJ061681	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro, 1-O-?-D-glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061682	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061683	1,3-Dihydroxy-12,6-eudesmanolide, 1-O-?-D-Glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061684	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 11?,13-Dihydro, 2-O-?-D-glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061685	2,4-Dihydroxy-1(5),11(13)-xanthadien-12,8-olide, 11?,13-Dihydro, 4-O-?-D-glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061686	7,8,11-Trihydroxy-4-guaien-3-one, 8-O-?-D-Glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061687	Aeginetic acid; 5-O-?-D-Glucopyranoside 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061688	Hymenoxynin 	C21H34O9	430.220282	NA	MeJP	NA	NA
+MJ061689	Jiocarotenoside A1 	C21H34O9	430.220282	NA	MeJP	NA	NA
+PJ001318	APPF 	C22H30N4O5	430.2216	NA	PeJP	NA	NA
+MJ061690	Radiosumin; 5,6-Didehydro 	C22H30N4O5	430.22162	NA	MeJP	NA	NA
+PJ001319	APLM 	C19H34N4O5S	430.225	NA	PeJP	NA	NA
+PJ001320	QQR 	C16H30N8O6	430.2288	NA	PeJP	NA	NA
+PJ001321	GAQR 	C16H30N8O6	430.2289	NA	PeJP	NA	NA
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR452	Androsterone glucuronide F3	NA	430.229175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR452	Androsterone glucuronide F3	NA	430.229175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR452	Androsterone glucuronide F3	NA	430.229175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR452	Androstérone glucuronide F3	F3	430.229175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR452	Androsterone glucuronide F3	NA	430.229175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR452	Androsterone glucuronide F3	F3	430.229175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ001322	KHF 	C21H30N6O4	430.2329	NA	PeJP	NA	NA
+CJpos0790	Androsterone glucuronide [(M+H)-2(H2O)]+	C25H35O6	430.234975	C18rt(min)=8.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0790	Androsterone glucuronide [(M+H)-2(H2O)]+	C25H35O6	430.234975	C18rt(min)=8.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C15425	21-Hydroxypregn-4-ene-3,20-dione hydrogen succinate	C25H34O6	430.2355	NA	KEGG	NA	NA
+MJ061691	1,9,15-Heptadecatriene-11,13-diyn-8-ol, 8-(2-O-Acetyl-L-rhamnoside) 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061692	1,9,15-Heptadecatriene-11,13-diyn-8-ol, 8-(3-O-Acetyl-L-rhamnoside) 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061693	12,17-Epoxy-2,3-dihydroxy-7,13-labdadien-15,12-olide, 3-Angeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061694	14,15-Epoxy-3,16-dihydroxycard-20(22)-enolide, 16-Ac 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061695	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Deoxy, 9-(3-methyl-2-butenoyl), 14-(2-methylbutanoyl) 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061696	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 14-Ac 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061697	2,3,14-Trihydroxycarda-4,20(22)-dienolide, 2-Ac 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061698	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 3,6-Diangeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061699	6-Hydroxy-7,13-labdadien-16,15-olid-17-oic acid; 6?-form, Angeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061700	8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-(2R,3R-epoxy-2-methylbutanoyl) 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061701	8,10-Dihydroxy-3-longipinen-5-one, 10-Angeloyl, 8-(2S,3S-epoxy-2-methylbutanoyl) 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061702	8,14-Thapsanediol, 8-(4-Hydroxy-3-methoxycinnamoyl) 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061703	8,9,10-Trihydroxy-3-longipinen-5-one, 8,9-Diangeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061704	8,9,10-Trihydroxy-3-longipinen-5-one, 9,10-Diangeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061705	8-Daucene-2,4,6-triol, 6-(4-Methoxybenzoyl), 2-Ac 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061706	8-Daucene-4,6,10-triol, 6-(4-Methoxybenzoyl), 10-Ac 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061707	9,10-Dihydroxy-2,7-himachaladien-4-one, 10-(2,3-Epoxy-2-methylbutanoyl), 9-angeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061708	9,10-Dihydroxy-2,7-himachaladien-4-one, 9-(2,3-Epoxy-2-methylbutanoyl), 10-angeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061709	Budesonide 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061710	Deacylcylindrol; 4'-Ac 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061711	Erinacine E; 1,2-Didehydro 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061712	Erinacine E; 3'-Ketone 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061713	Fasciospongide A 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061714	Fukinolidiol; 1,9-Diangeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061715	Furanoeremophilane-3,6,9-triol, 6,9-Diangeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061716	Hongoquercin B 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061717	Ingenol; 3-Angeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061718	Nardostachysin 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061719	Neovibsanin C 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061720	Pallidone G 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061721	Pteroneeniol 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061722	Pyrrhopappolide; 10?-Alcohol, 10-angeloyl 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061723	Salvileucolide; 15,16-Didehydro, 13R*,14R*-epoxide, 23?6 lactone 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061724	Salvileucolide; 15,16-Didehydro, 13R*,14S*-epoxide, 23?6 lactone 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061725	Salvileucolide; 15,16-Didehydro, 13S*,14S*-epoxide, 23?6 lactone 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061726	Spirovibsanin A 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061727	Tridachiapyrone D 	C25H34O6	430.235538	NA	MeJP	NA	NA
+MJ061728	Nivacortol 	C28H31FN2O	430.242041	NA	MeJP	NA	NA
+PJ001323	GLLE 	C19H34N4O7	430.2428	NA	PeJP	NA	NA
+MJ061729	Indolapril 	C24H34N2O5	430.246772	NA	MeJP	NA	NA
+MJ061730	Trandolaprilat; 1'-Et ester 	C24H34N2O5	430.246772	NA	MeJP	NA	NA
+8011	synthetic peptide	LWI	430.247	antibacterial	Inhouse_peptide	NA	peptide
+PJ001324	GVQK 	C18H34N6O6	430.254	NA	PeJP	NA	NA
+MJ061731	Homobotcinolide 	C22H38O8	430.256668	NA	MeJP	NA	NA
+PJ001325	LLW 	C23H34N4O4	430.258	NA	PeJP	NA	NA
+MJ061732	Benderizine 	C28H34N2O2	430.262028	NA	MeJP	NA	NA
+MJ061733	Carbifene 	C28H34N2O2	430.262028	NA	MeJP	NA	NA
+PJ001326	QKR 	C17H34N8O5	430.2652	NA	PeJP	NA	NA
+MJ061734	10-Aromadendranol, O-[3-Methyl-2-butenoyl-(?4)-D-threo-hex-1-enopyranosid-3-uloside] 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061735	10-Aromadendranol, O-[4-O-Angeloyl-D-threo-hex-1-enopyranosid-3-uloside] 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061736	12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Carboxylic acid 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061737	2,9-Dihydroxy-4,10(14)-oplopadien-3-one, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl) 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061738	3,29-Dihydroxy-15-oxo-24,25,26-trinorlanosta-8,16-dien-23-oic acid 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061739	9,13,20-Trihydroxy-1,6-tigliadien-3-one, 13-(2,3-Dimethylbutanoyl) 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061740	Chinensin II 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061741	Dehydrocholic acid; Et ester 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061742	Edogestrone 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061743	Havanensin 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061744	Ingenol; 20-Deoxy, 3-hexanoyl 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061745	Pittosporatobiraside A 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061746	Resocortol; Butanoyl 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061747	Simplicissin 	C26H38O5	430.271924	NA	MeJP	NA	NA
+MJ061748	N-[2-[4-(1H-Indol-4-yl)-1-piperazinyl]-1-phenylethyl]cyclohexanecarboxamide 	C27H34N4O	430.273261	NA	MeJP	NA	NA
+MJ061749	Piritramide 	C27H34N4O	430.273261	NA	MeJP	NA	NA
+MJ061750	Dodecyltriphenylphosphonium(1+) 	C30H40P(+)	430.278937	NA	MeJP	NA	NA
+PJ001327	SVLL 	C20H38N4O6	430.2792	NA	PeJP	NA	NA
+MJ061751	4,4'-Diapocaroten-4-oic acid 	C30H38O2	430.28718	NA	MeJP	NA	NA
+MJ061752	Laurebiphenyl 	C30H38O2	430.28718	NA	MeJP	NA	NA
+PJ001328	GVKK 	C19H38N6O5	430.2904	NA	PeJP	NA	NA
+MJ061753	Lankamycin; Aglycone, 8-deoxy, O-de-Ac 	C23H42O7	430.293053	NA	MeJP	NA	NA
+PJ001329	KKR 	C18H38N8O4	430.3016	NA	PeJP	NA	NA
+C04715	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol	C27H42O4	430.3083	NA	KEGG	NA	NA
+C08891	Convallamarogenin	C27H42O4	430.3083	NA	KEGG	NA	NA
+C08902	Hecogenin	C27H42O4	430.3083	NA	KEGG	NA	NA
+C08909	Ruscogenin	C27H42O4	430.3083	NA	KEGG	NA	NA
+C16498	2,22-Dideoxy-3-dehydroecdysone	C27H42O4	430.3083	NA	KEGG	NA	NA
+C17337	7alpha-Hydroxy-3-oxo-4-cholestenoate	C27H42O4	430.3083	NA	KEGG	NA	NA
+MJ061754	1,3,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-23-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061755	1,3,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061756	12,16-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061757	12-Hydroxy-16-scalarene-24,25-dial, 25-Alcohol, 12-Ac 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061758	12-Hydroxyspirostan-3-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061759	14-Hydroxyspirostan-3-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061760	16,18,20-Trihydroxy-27-norergosta-4,22-dien-3-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061761	16,18,20-Trihydroxycholesta-1,4,22-trien-3-one, 1,2-Dihydro 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061762	16,26-Dihydroxycholest-4-ene-3,22-dione 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061763	16-Hydroxy-12-oxo-20,24-dimethyl-25,24-scalaranolide 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061764	2,3,25-Trihydroxycholesta-4,7-dien-6-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061765	2-(10,11-Dihydroxygeranylgeranyl)-6-methyl-1,4-benzenediol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061766	21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one, 1,2-Dihydro 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061767	21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one, 4,5-Dihydro 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061768	22,26-Epoxy-3-hydroxycholestane-4,23-dione 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061769	24,25-Epoxy-16-scalarene-12,25-diol, 12-Ac 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061770	24-Hydroperoxy-6-hydroxycholesta-4,25-dien-3-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061771	25-Hydroperoxy-6-hydroxycholesta-4,23-dien-3-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061772	3,23,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061773	3,23,25-Trihydroxy-9,10-secocholesta-5,7-dien-26-oic acid, ?-Lactone 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061774	3,26-Dihydroxycholest-5-ene-16,22-dione 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061775	3-Hydroxyspirostan-12-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061776	3-Hydroxyspirostan-6-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061777	5,6-Epoxy-3-hydroxy-9-oxo-9,11-secocholest-7-en-11-al 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061778	6-Hydroxyspirostan-3-one 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061779	Amblyone 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061780	Brachycarpone; Deacetoxy 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061781	Cabraleahydroxylactone; 17?-Hydroxy, 3-ketone 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061782	Chiograsterone 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061783	Eichlerialactone 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061784	Isochiograsterone 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061785	Nuatigenin 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061786	Spirost-25(27)-ene-1,3-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061787	Spirost-25(27)-ene-2,3-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061788	Spirost-5-ene-1,3-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061789	Spirost-5-ene-2,3-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061790	Spirost-5-ene-3,12-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061791	Spirost-5-ene-3,14-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061792	Spirost-5-ene-3,17-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061793	Spirost-5-ene-3,23-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061794	Spirost-5-ene-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061795	Spirost-5-ene-3,27-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MJ061796	Spirostene-25,x-diol 	C27H42O4	430.308309	NA	MeJP	NA	NA
+MetaCyc03530	(20S,22S,25S)-22,25-epoxyfurost-5-ene-3-&beta;,26-diol [Nuatigenin;]	C27H42O4	430.30831	NA	metacyc	NA	NA
+HMDB11560	MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	C27H42O4	430.308319	NA	HMDB2010	NA	NA
+HMDB11590	MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)	C27H42O4	430.308319	NA	HMDB2010	NA	NA
+HMDB12458	7 alpha-Hydroxy-3-oxo-4-cholestenoate	C27H42O4	430.308319	NA	HMDB2010	NA	NA
+MJ061797	Sintaxanthin 	C31H42O	430.323565	NA	MeJP	NA	NA
+MJ061798	1-(3,4-Dihydroxyphenyl)-13-docosen-5-one 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061799	28,29-Dinorcycloart-24-ene-3,4,6-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061800	3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061801	3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid, Me ether 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061802	3-Hydroxy-25,26,27-trinorlanost-9(11)-en-24-oic acid; 3?-form, Me ether 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061803	3-Hydroxyergost-5-en-21-oic acid 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061804	5-Hydroxycholestane-3,6-dione; 5?-form, Me ether 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061805	Ergost-5-ene-3,7,22-triol, 7-Ketone 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061806	Ergosta-5,24(28)-diene-1,3,11-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061807	Ergosta-5,24(28)-diene-1,3,19-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061808	Ergosta-5,24(28)-diene-3,15,19-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061809	Ergosta-5,24(28)-diene-3,19-diol, 5?,6?-Epoxide 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061810	Ergosta-5,24(28)-diene-3,4,20-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061811	Ergosta-5,24(28)-diene-3,7,16-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061812	Ergosta-5,24(28)-diene-3,7,20-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061813	Ergosta-5,24(28)-diene-3,7-diol, 24?,28-Epoxide 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061814	Ergosta-6,22-diene-3,5,8-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061815	Ergosta-7,22-diene-2,3,9-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061816	Ergosta-7,22-diene-3,5,6-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061817	Ergosta-7,24(28)-diene-3,5,6-triol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+MJ061818	Spergulatriol 	C28H46O3	430.344695	NA	MeJP	NA	NA
+HMDB12166	4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol	C28H46O3	430.344696	NA	HMDB2010	NA	NA
+C04746	3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate	C28H46O3	430.3447	NA	KEGG	NA	NA
+C04747	[Citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]	C28H46O3	430.3447	NA	KEGG	NA	NA
+C04748	Protein C-terminal S-farnesyl-L-cysteine methyl ester	C21H35N2O3SR	430.3447	NA	KEGG	NA	NA
+C04749	[[Hydroxymethylglutaryl-CoA reductase (NADPH)]kinase]	C21H35N2O3SR	430.3447	NA	KEGG	NA	NA
+C04750	beta-D-Galactosyl-1,3-N-acetyl-alpha-D-galactosaminyl-R	C14H24NO11R	430.3447	NA	KEGG	NA	NA
+C14157	Stylisterol A	C28H46O3	430.3447	NA	KEGG	NA	NA
+C14159	Stylisterol C	C28H46O3	430.3447	NA	KEGG	NA	NA
+C14160	Hatomasterol	C28H46O3	430.3447	NA	KEGG	NA	NA
+C16253	(22R,23R)-22,23-Dihydroxy-campest-4-en-3-one	C28H46O3	430.3447	NA	KEGG	NA	NA
+C16254	[Dihydrolipoyllysine-residue succinyltransferase]	C12H20NO4S2R	430.3447	NA	KEGG	NA	NA
+C16255	[Dihydrolipoyllysine-residue acetyltransferase]	C10H18NO2S2R	430.3447	NA	KEGG	NA	NA
+C10821	Solanocapsine	C27H46N2O2	430.3559	NA	KEGG	NA	NA
+MJ061819	Buxazidine I; N3,N3,N20-Tri-Me 	C27H46N2O2	430.355928	NA	MeJP	NA	NA
+MJ061820	Cyclobuxoxazine C 	C27H46N2O2	430.355928	NA	MeJP	NA	NA
+MJ061821	Cyclomicrophylline I; N3,N20,N20-Tri-Me 	C27H46N2O2	430.355928	NA	MeJP	NA	NA
+MJ061822	Cyclomicrophylline I; N3,N3,N20-Tri-Me 	C27H46N2O2	430.355928	NA	MeJP	NA	NA
+MJ061823	Pregnane-3,20-diamine, N3,N20-Di-Me, N3,N20-di-Ac 	C27H46N2O2	430.355928	NA	MeJP	NA	NA
+MJ061824	Solanocapsine 	C27H46N2O2	430.355928	NA	MeJP	NA	NA
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR417	Vitamine E F3	NA	430.379975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR417	Vitamine E F3	NA	430.379975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR417	Vitamine E F3	NA	430.379975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR417	Vitamine E F3	NA	430.379975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR417	Vitamin E F3	F3	430.379975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01893	alpha-Tocopherol	C29H50O2	430.38107	http://www.hmdb.ca/metabolites/HMDB01893	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01893	alpha-Tocopherol	C29H50O2	430.38107	http://www.hmdb.ca/metabolites/HMDB01893	HMDB	NA	NA
+HMDB01893	alpha-Tocopherol	C29H50O2	430.38107	http://www.hmdb.ca/metabolites/HMDB01893	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01893	alpha-Tocopherol	C29H50O2	430.38107	HMDB01893	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01893	Alpha-Tocopherol	C29H50O2	430.381073	NA	HMDB2010	NA	NA
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	HMDB	NA	NA
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	Inhouse_PFEM	NA	NA
+MJ061825	alpha-Tocopherol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061826	11,14,17,20,23-Nonacosapentaenoic acid, 11,12-Dihydro 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061827	3-Hydroxystigmastan-6-one 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061828	30-Nor-3,20-lupanediol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061829	30-Norgammacerane-21,22-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061830	4-Methylergost-24(28)-ene-3,8-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061831	4-Methylergost-7-ene-3,22-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061832	5,6-Dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone; 2-Methyl 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061833	?-Tocopherol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061834	Stigmast-14-ene-3,16-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061835	Stigmast-4-ene-3,6-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061836	Stigmast-5-ene-3,22-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061837	Stigmast-5-ene-3,26-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061838	Stigmast-5-ene-3,4-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061839	Stigmast-5-ene-3,7-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061840	Stigmast-5-ene-3,8-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061841	Stigmast-6-ene-3,5-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061842	Stigmast-7-ene-3,6-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061843	mast-5-ene-3,7-diol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+MJ061844	?-Tocopherol 	C29H50O2	430.38108	NA	MeJP	NA	NA
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR108	Vitamin E	C29H50O2	430.38108	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc03531	vitamin E [tocopherol;a-tocopherol;]	C29H50O2	430.381081	NA	metacyc	NA	NA
+MetaCyc03532	&alpha;-tocopherol []	C29H50O2	430.381081	2074-53-5	metacyc	NA	NA
+MetaCyc03533	(24R,24'R)-Fucosterol epoxide []	C29H50O2	430.381081	NA	metacyc	NA	NA
+MetaCyc03534	(22&alpha;)-hydroxy-sitosterol [22-OH-sitosterol;22-OH-SIT;]	C29H50O2	430.381081	NA	metacyc	NA	NA
+EUR108	Vitamin E	C29H50O2	430.3811	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR108	Vitamin E	C29H50O2	430.3811	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR108	Vitamin E	C29H50O2	430.3811	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR108	Vitamin E	C29H50O2	430.3811	Wishlist	Inhousejuil11	NA	NA
+C02477	alpha-Tocopherol	C29H50O2	430.3811	NA	KEGG	NA	NA
+C02478	beta-D-Mannoside	C6H11O6R	430.3811	NA	KEGG	NA	NA
+C04814	4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol	C29H50O2	430.3811	NA	KEGG	NA	NA
+MJ061845	24-Propylidenecholest-5-en-3-ol, 5?,6,24?,28-Tetrahydro 	C30H54O	430.417466	NA	MeJP	NA	NA
+MJ061846	4,23-Dimethylergosta-7,22-dien-3-ol, 6,7,22,23?-Tetrahydro 	C30H54O	430.417466	NA	MeJP	NA	NA
+MJ061847	4-Methylstigmastan-3-ol 	C30H54O	430.417466	NA	MeJP	NA	NA
+MJ061848	1,22,24-Hentriacontatriene 	C31H58	430.453851	NA	MeJP	NA	NA
+8144	peptide derived from jumbo squid skin gelatin (Dosidicus gigas)	FDSGPAGVL	430.70495	MH2+	Inhouse_peptide	NA	peptide
+MJ061849	[(Diiodobenzoyl)amino]acetic acid 	C9H7I2NO3	430.851529	NA	MeJP	NA	NA
+MJ061850	Enolicam 	C17H12Cl3NO4S	430.955261	NA	MeJP	NA	NA
+MJ061851	2,2-Bis(6-bromo-3-indolyl)ethylamine 	C18H15Br2N3	430.963272	NA	MeJP	NA	NA
+C07759	Benzthiazide	C15H14ClN3O4S3	430.9835	NA	KEGG	NA	NA
+C17945	Phosphonoformyl-CMP	C10H15N3O12P2	431.0131	NA	KEGG	NA	NA
+MJ061852	1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, Dechloro, N-Ac 	C17H22Cl5NO	431.014402	NA	MeJP	NA	NA
+MJ061853	4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline 	C20H14ClNO8	431.040794	NA	MeJP	NA	NA
+C06626	4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline	C20H14ClNO8	431.0408	NA	KEGG	NA	NA
+MJ061854	Clionamide 	C19H18BrN3O4	431.048068	NA	MeJP	NA	NA
+C17092	Clionamide	C19H18BrN3O4	431.0481	NA	KEGG	NA	NA
+C10952	Rimsulfuron	C14H17N5O7S2	431.0569	NA	KEGG	NA	NA
+MJ061855	Clofibric acid; Calcium salt (2:1) 	C20H20CaClO6	431.057432	NA	MeJP	NA	NA
+MJ061856	Ioflupane 	C18H23FINO2	431.07575	NA	MeJP	NA	NA
+MJ061857	4-Oxoheptyl glucosinolate 	C14H25NO10S2	431.091987	NA	MeJP	NA	NA
+MJ061858	5-Oxoheptyl glucosinolate 	C14H25NO10S2	431.091987	NA	MeJP	NA	NA
+MJ061859	Ochratoxin A; Et ester 	C22H22ClNO6	431.113565	NA	MeJP	NA	NA
+MJ061860	Zeatin, 9-?-D-Ribofuranosyl, 5''-phosphate 	C15H22N5O8P	431.120599	NA	MeJP	NA	NA
+MetaCyc03535	trans-zeatin riboside monophosphate [ZMP;tZRMP;]	C15H22N5O8P1	431.120599	NA	metacyc	NA	NA
+MetaCyc03536	cis-zeatin riboside monophosphate [cZRMP;]	C15H22N5O8P1	431.120599	NA	metacyc	NA	NA
+C16430	trans-Zeatin riboside  monophosphate	C15H22N5O8P	431.1206	NA	KEGG	NA	NA
+C16441	cis-Zeatin riboside monophosphate	C15H22N5O8P	431.1206	NA	KEGG	NA	NA
+C16442	Asbestos	C15H22N5O8P	431.1206	NA	KEGG	NA	NA
+MJ061861	Xylostosidine; S-Oxide (R-) 	C18H25NO9S	431.125002	NA	MeJP	NA	NA
+MJ061862	Xylostosidine; S-Oxide (S-) 	C18H25NO9S	431.125002	NA	MeJP	NA	NA
+C11742	SB 228357	C22H17F4N3O2	431.1257	NA	KEGG	NA	NA
+MJ061863	Tiodazosin 	C18H21N7O4S	431.137572	NA	MeJP	NA	NA
+PJ001330	CFY 	C21H25N3O5S	431.1515	NA	PeJP	NA	NA
+7950	synthetic peptide	YYS	431.158	ACE inhibitor	Inhouse_peptide	NA	peptide
+7972	synthetic peptide	YSY	431.158	antioxidative	Inhouse_peptide	NA	peptide
+7974	synthetic peptide	SYY	431.158	antioxidative	Inhouse_peptide	NA	peptide
+MJ061864	6,7,14-Trihydroxy-8-drimen-12,11-olide, 14-(4-Nitrobenzoyl) 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061865	6,7,14-Trihydroxy-8-drimen-12,11-olide, 6-(4-Nitrobenzoyl) 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061866	6,9,14-Trihydroxy-7-drimen-12,11-olide, 6-(4-Nitrobenzoyl) 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061867	Glycocitrine V 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061868	Narceine; N-De-Me 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061869	Pseurotins; Pseurotin A 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061870	Pseurotins; Pseurotin D 	C22H25NO8	431.158016	NA	MeJP	NA	NA
+MJ061871	4-[[4-[4-(Aminoiminomethyl)phenyl]-2-thiazolyl](2-carboxyethyl)amino]-1-piperidineacetic acid 	C20H25N5O4S	431.162725	NA	MeJP	NA	NA
+MJ061872	Fotretamine 	C14H28N9OP3	431.162966	NA	MeJP	NA	NA
+PJ001331	SPND 	C16H25N5O9	431.1652	NA	PeJP	NA	NA
+PJ001332	GGSPD 	C16H25N5O9	431.1653	NA	PeJP	NA	NA
+PJ001333	SYY 	C21H25N3O7	431.1693	NA	PeJP	NA	NA
+MJ061873	Coyhaiquine; 1''-Aldehyde 	C26H25NO5	431.173272	NA	MeJP	NA	NA
+PJ001334	GNNQ 	C15H25N7O8	431.1765	NA	PeJP	NA	NA
+PJ001335	EHF 	C20H25N5O6	431.1805	NA	PeJP	NA	NA
+PJ001336	GPQM 	C17H29N5O6S	431.1839	NA	PeJP	NA	NA
+MJ061874	Glenvastatin 	C27H26FNO3	431.189671	NA	MeJP	NA	NA
+C11699	HR 780	C27H26FNO3	431.1897	NA	KEGG	NA	NA
+C14914	3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine	C23H36Cl3N	431.1913	NA	KEGG	NA	NA
+MJ061875	Aceropterine 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061876	Fischerin 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061877	Fusarin A; 17?-Hydroxy 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061878	Fusarin C 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061879	Fusarin F 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061880	Higenamine, O6,N-Di-Me, O7-?-D-xylopyranoside 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061881	Maistemonine; 8?-Hydroxy 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+MJ061882	Sinococuline; N-Me, O6,O7-di-Ac 	C23H29NO7	431.194402	NA	MeJP	NA	NA
+PJ001337	GPCR 	C16H29N7O5S	431.1951	NA	PeJP	NA	NA
+MJ061883	[4-Ethyl-4-methyl-6-oxo-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-2-piperidinylidene]acetic acid 	C24H25N5O3	431.195739	NA	MeJP	NA	NA
+PJ001338	GVQE 	C17H29N5O8	431.2016	NA	PeJP	NA	NA
+8004	peptide derived from sardinelle by-products proteins (Sardinella aurita)	LHY	431.205	antibacterial	Inhouse_peptide	NA	peptide
+MJ061884	Alternarolide III 	C22H29N3O6	431.205635	NA	MeJP	NA	NA
+8014	synthetic peptide	LWN	431.2059	antibacterial	Inhouse_peptide	NA	peptide
+PJ001339	QER 	C16H29N7O7	431.2129	NA	PeJP	NA	NA
+MJ061885	Lexitropsins; Lexitropsin A 	C17H25N11O3	431.214183	NA	MeJP	NA	NA
+MJ061886	Lexitropsins; Lexitropsin B 	C17H25N11O3	431.214183	NA	MeJP	NA	NA
+PJ001340	VQW 	C21H29N5O5	431.2169	NA	PeJP	NA	NA
+8071	synthetic peptide	RWA	431.217	antioxidative	Inhouse_peptide	NA	peptide
+PJ001341	GPKM 	C18H33N5O5S	431.2203	NA	PeJP	NA	NA
+MJ061887	Piscarinine A 	C26H29N3O3	431.220891	NA	MeJP	NA	NA
+PJ001342	ARW 	C20H29N7O4	431.2281	NA	PeJP	NA	NA
+MJ061888	Alkaloid GB11 	C24H33NO6	431.230787	NA	MeJP	NA	NA
+MJ061889	Antibiotic F 1839A; 8'-Methoxy 	C24H33NO6	431.230787	NA	MeJP	NA	NA
+MJ061890	Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl), N-oxide 	C24H33NO6	431.230787	NA	MeJP	NA	NA
+MJ061891	Myxopyronines; Myxopyronine B 	C24H33NO6	431.230787	NA	MeJP	NA	NA
+MJ061892	Nakijiquinone D; 25-Demethyl 	C24H33NO6	431.230787	NA	MeJP	NA	NA
+PJ001343	GVKE 	C18H33N5O7	431.238	NA	PeJP	NA	NA
+CJpos0791	Androsterone glucuronide [(M+H)-2(H2O)]+ (13C)	C2413CH35O6	431.238375	C18rt(min)=8.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0791	Androsterone glucuronide [(M+H)-2(H2O)]+ (13C)	C2413CH35O6	431.238375	C18rt(min)=8.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ061893	Epostatin 	C23H33N3O5	431.242021	NA	MeJP	NA	NA
+MJ061894	2,5-Dibutyl-2,4-dihydro-4-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-3H-1,2,4-triazol-3-one 	C24H29N7O	431.243358	NA	MeJP	NA	NA
+PJ001344	KER 	C17H33N7O6	431.2493	NA	PeJP	NA	NA
+PJ001345	VKW 	C22H33N5O4	431.2533	NA	PeJP	NA	NA
+PJ001346	TRR 	C16H33N9O5	431.2605	NA	PeJP	NA	NA
+MJ061895	Aleicide C 	C25H37NO5	431.267173	NA	MeJP	NA	NA
+MJ061896	Caeruline 	C25H37NO5	431.267173	NA	MeJP	NA	NA
+MJ061897	Phomacin A 	C25H37NO5	431.267173	NA	MeJP	NA	NA
+MJ061898	Piericidin; Piericidin A1, 11',12'-Epoxide 	C25H37NO5	431.267173	NA	MeJP	NA	NA
+MJ061899	Istamycin C; N2''-Formyl 	C19H37N5O6	431.274383	NA	MeJP	NA	NA
+MJ061900	Mutamicin 2 	C19H37N5O6	431.274383	NA	MeJP	NA	NA
+C17996	Istamycin C1	C19H37N5O6	431.2744	NA	KEGG	NA	NA
+PJ001347	ATLK 	C19H37N5O6	431.2744	NA	PeJP	NA	NA
+MJ061901	Crambescidin 431 	C24H37N3O4	431.278406	NA	MeJP	NA	NA
+MJ061902	Proxiphomin 	C29H37NO2	431.282429	NA	MeJP	NA	NA
+MJ061903	2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid; 5-Ac 	C22H41NO7	431.288302	NA	MeJP	NA	NA
+MJ061904	2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid; N-Ac 	C22H41NO7	431.288302	NA	MeJP	NA	NA
+MJ061905	Fumifungin 	C22H41NO7	431.288302	NA	MeJP	NA	NA
+MJ061906	Octaphonium(1+); Chloride 	C27H42ClNO	431.295492	NA	MeJP	NA	NA
+MJ061907	2-Amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid; N-(Aminoiminomethyl) 	C21H41N3O6	431.299536	NA	MeJP	NA	NA
+C10830	Peimine	C27H45NO3	431.3399	NA	KEGG	NA	NA
+MJ061908	2-Aminobenzoic acid; N-Eicosanoyl 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061909	3,5,6-Solanidanetriol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061910	3,6,14-Cevanetriol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061911	3,6,16-Cevanetriol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061912	3-Aminospirostan-6-ol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061913	3-Aminospirostan-9-ol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061914	3-Desamino-3-hydroxysolanocapsine 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061915	Cevane-3,6,20-triol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061916	Edpetisinine 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061917	Hakurirodine; 22R,28-Dihydro 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061918	Hupehenidine 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061919	Pimpinellidine 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061920	Spirosolane-2,3-diol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061921	Spirosolane-3,15-diol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061922	Spirosolane-3,23-diol 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+MJ061923	Vertaline B 	C27H45NO3	431.339944	NA	MeJP	NA	NA
+C01244	3,5-Diiodo-4-hydroxyphenylpyruvate	C9H6I2O4	431.8355	NA	KEGG	NA	NA
+MetaCyc03537	diiodo-4-hydroxyphenylpyruvate [3-(3,5-diiodo-4-hydroxyphenyl)pyruvate;3,5-diiodo-4-hydroxyphenylpyruvate;&beta;-(3,5-diiodo-4-hydroxyphenyl)pyruvate;]	C9H6O4I2	431.835545	66-02-4	metacyc	NA	NA
+C10960	Triforine	C10H14Cl6N4O2	431.9248	NA	KEGG	NA	NA
+MJ061924	Lecideoidin; 4-Chloro 	C17H11Cl3O7	431.957035	NA	MeJP	NA	NA
+MJ061925	Amathaspiramide C 	C15H18Br2N2O3	431.968417	NA	MeJP	NA	NA
+MJ061926	Buellolide 	C18H15Cl3O6	431.993421	NA	MeJP	NA	NA
+MJ061927	Cardopatine 	C24H16S4	432.013483	NA	MeJP	NA	NA
+MJ061928	Rhopaladin A; 6-Deoxy 	C21H13BrN4O2	432.022188	NA	MeJP	NA	NA
+MJ061929	18,18-Dibromo-5,17-octadecadien-7-ynoic acid 	C18H26Br2O2	432.029955	NA	MeJP	NA	NA
+MJ061930	Clometocillin 	C17H18Cl2N2O5S	432.031347	NA	MeJP	NA	NA
+MJ061931	Rivulobirin B 	C23H12O9	432.048131	NA	MeJP	NA	NA
+MJ061932	Mollicellin A; 2-Chloro, 8-hydroxy 	C21H17ClO8	432.061195	NA	MeJP	NA	NA
+C05692	Se-Adenosyl-L-selenohomocysteine	C14H20N6O5Se	432.066	NA	KEGG	NA	NA
+C05693	R	C14H20N6O5Se	432.066	NA	KEGG	NA	NA
+C05694	CH3-R	C14H20N6O5Se	432.066	NA	KEGG	NA	NA
+MJ061933	Se-Adenosylselenohomocysteine 	C14H20N6O5Se	432.066039	NA	MeJP	NA	NA
+HMDB11117	Se-Adenosylselenohomocysteine	C14H20N6O5Se	432.06604	NA	HMDB2010	NA	NA
+FL5FAANN0002	Kaempferol 3-p-coumarate	C24H16O8	432.08451	41496-40-6	knapsack	NA	NA
+MJ061934	Antibiotic G-2A 	C24H16O8	432.084517	NA	MeJP	NA	NA
+MJ061935	Basidifferquinone A 	C24H16O8	432.084517	NA	MeJP	NA	NA
+MJ061936	Bergapten dimer 	C24H16O8	432.084517	NA	MeJP	NA	NA
+MJ061937	7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C 	C15H20N4O9S	432.095098	NA	MeJP	NA	NA
+C06569	7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	C15H20N4O9S	432.0951	NA	KEGG	NA	NA
+MJ061938	2,2'-(Dithiodicarbonothioyl)bis[N-(2-methoxyethyl)-1-cyclopenten-1-amine] 	C18H28N2O2S4	432.10336	NA	MeJP	NA	NA
+MJ061939	Brovincamine 	C21H25BrN2O3	432.104855	NA	MeJP	NA	NA
+C01460	Vitexin	C21H20O10	432.1056	NA	KEGG	NA	NA
+C01461	Xaa-Arg	C8H16N5O3R	432.1056	NA	KEGG	NA	NA
+C01462	Xaa-His	C8H11N4O3R	432.1056	NA	KEGG	NA	NA
+C01463	Xaa-Lys	C8H16N3O3R	432.1056	NA	KEGG	NA	NA
+C01714	Apigenin-6-C-glucoside	C21H20O10	432.1056	NA	KEGG	NA	NA
+C01715	Kallikrein	C21H20O10	432.1056	NA	KEGG	NA	NA
+C04608	Apigenin 7-O-beta-D-glucoside	C21H20O10	432.1056	NA	KEGG	NA	NA
+C04609	Aerobacter aerogenes capsular polysaccharide	C21H20O10	432.1056	NA	KEGG	NA	NA
+C09126	Genistein 7-O-beta-D-glucoside	C21H20O10	432.1056	NA	KEGG	NA	NA
+C10345	Emodin 8-glucoside	C21H20O10	432.1056	NA	KEGG	NA	NA
+C10420	Genistein 8-C-glucoside	C21H20O10	432.1056	NA	KEGG	NA	NA
+C16911	Afzelin	C21H20O10	432.1056	NA	KEGG	NA	NA
+FL1A1CGS0001	Sulfurein	C21H20O10	432.10564	531-63-5	knapsack	NA	NA
+FL1AACGS0003	Aureusidin 6-rhamnoside	C21H20O10	432.10564	124925-02-6	knapsack	NA	NA
+FL3F1CGS0001	7,3',4'-Trihydroxyflavone 7-glucoside	C21H20O10	432.10564	24502-03-2	knapsack	NA	NA
+FL3F1CGS0002	7,3',4'-Trihydroxyflavone 7-galactoside	C21H20O10	432.10564	-	knapsack	NA	NA
+FL3F1GGS0001	7,3',4',5'-Tetrahydroxyflavone 7-rhamnoside	C21H20O10	432.10564	98411-71-3	knapsack	NA	NA
+FL3FA8GS0003	5,7,2'-Trihydroxy 7-glucoside	C21H20O10	432.10564	-	knapsack	NA	NA
+FL3FAACS0001	Vitexin;8-D-Glucosyl-4',5,7-trihydroxyflavone;Apigenin 8-C-glucoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O10	432.10564	3681-93-4	knapsack	NA	NA
+FL3FAACS0006	8-C-beta-D-Galactopyranosylapigenin	C21H20O10	432.10564	35013-07-1	knapsack	NA	NA
+FL3FAACS0008	6-C-beta-D-Galactosylapigenin	C21H20O10	432.10564	70116-01-7	knapsack	NA	NA
+FL3FAACS0043	Neovitexin	C21H20O10	432.10564	29774-67-2	knapsack	NA	NA
+FL3FAAGS0001	Apigenin 7-O-glucoside	C21H20O10	432.10564	578-74-5	knapsack	NA	NA
+FL3FAAGS0003	Isovitexin;6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavone;Homovitexin;6-C-beta-D-Glucopyranosylapigenin;Saponaretin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O10	432.10564	38953-85-4	knapsack	NA	NA
+FL3FAAGS0004	Apigenin 5-glucoside	C21H20O10	432.10564	28757-27-9	knapsack	NA	NA
+FL3FAAGS0005	Apigenin 5-galactoside	C21H20O10	432.10564	84268-41-7	knapsack	NA	NA
+FL3FAAGS0008	Apigenin 7-galactoside	C21H20O10	432.10564	23598-21-2	knapsack	NA	NA
+FL3FAAGS0014	Apigenin 4'-glucoside	C21H20O10	432.10564	20486-34-4	knapsack	NA	NA
+FL3FACCS0006	6-C-Chinovopyranosylluteolin	C21H20O10	432.10564	132368-05-9	knapsack	NA	NA
+FL3FACCS0007	6-C-Fucopyranosylluteolin	C21H20O10	432.10564	132368-06-0	knapsack	NA	NA
+FL3FACCS0038	8-C-Rhamnopyranosylluteolin	C21H20O10	432.10564	-	knapsack	NA	NA
+FL3FACGS0006	Luteolin 7-rhamnoside	C21H20O10	432.10564	18016-54-1	knapsack	NA	NA
+FL3FACGS0013	Luteolin 3'-rhamnoside	C21H20O10	432.10564	99694-79-8	knapsack	NA	NA
+FL3FADGS0002	Luteolin 3'-methyl ether 7-xyloside	C21H20O10	432.10564	104759-65-1	knapsack	NA	NA
+FL3FE9GS0002	Baicalein 6-glucoside	C21H20O10	432.10564	28279-72-3	knapsack	NA	NA
+FL3FEAGS0004	Scutellarein 7-rhamnoside	C21H20O10	432.10564	24512-68-3	knapsack	NA	NA
+FL3FF9GS0007	5,7,8-Trihydroxyflavone 5-glucoside	C21H20O10	432.10564	151261-87-9	knapsack	NA	NA
+FL3FF9GS0009	5,7,8-Trihydroxyflavone 7-galactoside	C21H20O10	432.10564	-	knapsack	NA	NA
+FL5F1ACS0001	8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O10	432.10564	108351-24-2	knapsack	NA	NA
+FL5F1AGL0001	Resokaempferol 3-glucoside	C21H20O10	432.10564	-	knapsack	NA	NA
+FL5F1AGS0001	Resokaempferol 7-glucoside	C21H20O10	432.10564	16290-10-1	knapsack	NA	NA
+FL5F1AGS0002	Resokaempferol 4'-glucoside	C21H20O10	432.10564	24502-04-3	knapsack	NA	NA
+FL5FA9GL0001	Galanginin	C21H20O10	432.10564	68592-14-3	knapsack	NA	NA
+FL5FA9GS0002	Galangin 7-glucoside	C21H20O10	432.10564	68592-13-2	knapsack	NA	NA
+FL5FAAGS0005	Afzelin	C21H20O10	432.10564	482-39-3	knapsack	NA	NA
+FL5FAAGS0009	Kaempferol 5-rhamnoside	C21H20O10	432.10564	51171-70-1	knapsack	NA	NA
+FL5FAAGS0015	Kaempferol 7-rhamnoside	C21H20O10	432.10564	20196-89-8	knapsack	NA	NA
+FL5FAAGS0018	Kaempferol 4'-rhamnoside	C21H20O10	432.10564	65063-32-3	knapsack	NA	NA
+FL5FABGS0001	Kaempferide 3-alpha-L-arabinopyranoside	C21H20O10	432.10564	123442-27-3	knapsack	NA	NA
+FL5FGGNS0016	3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone	C21H20O10	432.10564	82668-94-8	knapsack	NA	NA
+FLIA1CCS0001	Pueraria glycoside 1	C21H20O10	432.10564	117060-54-5	knapsack	NA	NA
+FLIA2AGS0001	Demethyltexasin 4'-O-glucoside; 6,7,4'-Trihydroxyisoflavone 4'-O-glucoside	C21H20O10	432.10564	34307-23-8	knapsack	NA	NA
+FLIAA8GS0001	Isogenistein 7-O-glucoside;5,7,2'-Trihydroxyisoflavone 7-O-glucoside	C21H20O10	432.10564	70943-69-0	knapsack	NA	NA
+FLIAAACS0002	Genistein 8-C-glucoside	C21H20O10	432.10564	66026-80-0	knapsack	NA	NA
+FLIAAAGS0001	Genistein 7-O-glucoside;Genistin;Genistoside	C21H20O10	432.10564	529-59-9	knapsack	NA	NA
+FLIAAAGS0003	Genistein 4'-O-glucoside;Sophoricoside	C21H20O10	432.10564	152-95-4	knapsack	NA	NA
+FLIAAAGS0009	Genistein 5-O-glucoside	C21H20O10	432.10564	128508-06-5	knapsack	NA	NA
+MJ061940	1,2,3-Trihydroxyanthraquinone; 1-Me ether, 3-O-?-D-glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061941	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 4-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061942	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061943	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061944	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061945	1,3,8-Trihydroxy-6-methylanthraquinone; 8-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061946	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 3-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061947	1,4,6-Trihydroxyxanthone; 6-O-(3-Hydroxy-1-propenyl), 4-O-?-D-xylopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061948	1,8-Dihydroxy-3-hydroxymethylanthraquinone; 1'-?-D-Glucoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061949	1,8-Dihydroxy-3-hydroxymethylanthraquinone; 8-?-D-Glucoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061950	2',5,7-Trihydroxyflavone; 2'-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061951	2',5,7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061952	2',5,7-Trihydroxyisoflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061953	2,5-Dihydroxy-3-hydroxymethylanthraquinone; 2-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061954	3',4',5',7-Tetrahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061955	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061956	3',4',5,7-Tetrahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061957	3',4',6-Trihydroxyaurone; 6-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061958	3',4',7-Trihydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061959	3',4',7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061960	3',4,4',6-Tetrahydroxyaurone; 6-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061961	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Ribofuranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061962	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5,5',8-Penta-Me, 6,7-methylene ether 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061963	3,3',5,5'-Tetraacetyl-2,2',4,4',6,6'-hexahydroxydiphenylmethane 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061964	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnofuranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061965	3,4',5,7-Tetrahydroxyflavone; 4'-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061966	3,4',5,7-Tetrahydroxyflavone; 5-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061967	3,4',5,7-Tetrahydroxyflavone; 7-O-L-Rhamnofuranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061968	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-L-Arabinopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061969	3,4',7-Trihydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061970	3,4',7-Trihydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061971	3,4',7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061972	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Arabinopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061973	3,5,7-Trihydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061974	3,5,7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061975	4',5,6,7-Tetrahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061976	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Xylopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061977	4',5,7-Trihydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061978	4',5,7-Trihydroxyflavone; 5-O-?-D-Galactopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061979	4',5,7-Trihydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061980	4',5,7-Trihydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061981	4',5,7-Trihydroxyisoflavone; 4'-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061982	4',5,7-Trihydroxyisoflavone; 5-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061983	4',5,7-Trihydroxyisoflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061984	4',6,7-Trihydroxyisoflavone; 4'-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061985	5,6,7-Trihydroxyflavone; 6-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061986	5,6,7-Trihydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061987	5,7,8-Trihydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061988	5,7-Dihydroxyflavanone, 7-O-?-D-Glucuronopyranoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061989	5-Hydroxy-3,3',6,7,8-pentamethoxy-4',5'-methylenedioxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061990	6-C-(6-Deoxyglucopyranosyl)-3',4',5,7-tetrahydroxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061991	6-C-Fucopyranosyl-3',4',5,7-tetrahydroxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061992	6-C-Galactopyranosyl-3',4',5,7-tetrahydroxyflavone; 6''-Deoxy 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061993	6-C-Galactopyranosyl-4',5,7-trihydroxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061994	8-C-Glucopyranosyl-3,4',7-trihydroxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061995	8-Galactopyranosyl-4',5,7-trihydroxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061996	8-Glucopyranosyl-3',4',7-trihydroxyisoflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061997	8-Glucopyranosyl-4',5,7-trihydroxyisoflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061998	9,10-Dihydro-4,5-dihydroxy-10-oxo-2-anthracenecarboxylic acid; O-Glucoside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ061999	Afzelin 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062000	Cosmosiin 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062001	Isovitexin 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062002	Neoavroside 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062003	Neovitexin 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062004	Vitexin 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062005	?-Rhamnoisorobin 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MJ062006	3',4',5,7-Tetrahydroxyflavylium(1+); 5-O-?-D-Glucopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062007	3',4',5,7-Tetrahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062008	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-Arabinoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062009	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062010	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-Arabinoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062011	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062012	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062013	3,4',5,7-Tetrahydroxyflavylium(1+); 4'-O-?-D-Glucopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062014	3,4',5,7-Tetrahydroxyflavylium(1+); 5-O-?-D-Galactopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062015	3,4',5,7-Tetrahydroxyflavylium(1+); 5-O-?-D-Glucopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062016	3,4',5,7-Tetrahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside 	C21H21O10(+)	432.105646	NA	MeJP	NA	NA
+MJ062017	7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone 	C21H20O10	432.105646	NA	MeJP	NA	NA
+MetaCyc03538	vitexin [apigenin 8-C-glucoside;]	C21H20O10	432.105647	3681-93-4	metacyc	NA	NA
+MetaCyc03539	isovitexin [apigenin-6-C-glucoside;saponaretin;]	C21H20O10	432.105647	38953-85-4	metacyc	NA	NA
+MetaCyc03540	kaempferol-3-rhamnoside [kaempferol-3-O-rhamnopyranoside;]	C21H20O10	432.105647	NA	metacyc	NA	NA
+MetaCyc03541	sulfuretin 6-glucoside []	C21H20O10	432.105647	NA	metacyc	NA	NA
+MetaCyc03542	7-O-&beta;-D-glucosyl-apigenin [cosmosin;7-O-&beta;-D-glucosyl-5,7,4'-trihydroxyflavone;apigenin 7-O-&beta;-D-glucoside;cosmosiin;]	C21H20O10	432.105647	578-74-5	metacyc	NA	NA
+MetaCyc03543	genistin []	C21H20O10	432.105647	NA	metacyc	NA	NA
+MJ062018	Penicillazine 	C20H20N2O9	432.11688	NA	MeJP	NA	NA
+FL2FABNN0001	Calomelanol G;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione	C25H20O7	432.1209	143228-44-8	knapsack	NA	NA
+MJ062019	Calomelanol E; 4'-Me ether 	C25H20O7	432.120902	NA	MeJP	NA	NA
+PJ001348	ACCH 	C15H24N6O5S2	432.125	NA	PeJP	NA	NA
+MJ062020	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Carboxy-3-hydroxy-3-methylbutanoyl-(?6)-?-D-glucopyranoside] 	C18H24O12	432.126776	NA	MeJP	NA	NA
+MJ062021	4-Hydroxybenzoic acid; [?-D-Apiofuranosyl-(1?6)-?-D-glucopyranosyl] ester 	C18H24O12	432.126776	NA	MeJP	NA	NA
+MJ062022	Forsythide; 6-Oxo, di-Me ester 	C18H24O12	432.126776	NA	MeJP	NA	NA
+MJ062023	Scandoside; 6-Epimer, 10-Ac 	C18H24O12	432.126776	NA	MeJP	NA	NA
+MJ062024	5,5a,12,12a-Tetrahydro-7,14-dimethoxybenzo[1'',2'':4,5;4'',5'':4',5']difuro[2,3-b:2',3'-b']diindole-7b,14b-diol 	C24H20N2O6	432.132136	NA	MeJP	NA	NA
+MJ062025	Chaetoviridin A 	C23H25ClO6	432.133966	NA	MeJP	NA	NA
+7648	ACE inhibitor from ovalbumin	FCF	432.136	antioxidative	Inhouse_peptide	NA	peptide
+MJ062026	7-[3-(1-Aminoethyl)-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid 	C21H19F3N4O3	432.140925	NA	MeJP	NA	NA
+C14942	2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-	C22H24O9	432.142	NA	KEGG	NA	NA
+C14953	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-	C22H24O9	432.142	NA	KEGG	NA	NA
+C16223	(-)-Medicocarpin	C22H24O9	432.142	NA	KEGG	NA	NA
+FL1CELNS0005	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone	C22H24O9	432.14203	121697-06-1	knapsack	NA	NA
+FL2FA9GM0001	Strobopinin 7-galactoside	C22H24O9	432.14203	129601-82-7	knapsack	NA	NA
+FL2FA9GM0002	Strobopinin 7-glucoside	C22H24O9	432.14203	107140-40-9	knapsack	NA	NA
+FL2FA9GS0008	Pinostrobin 5-O-glucoside	C22H24O9	432.14203	115799-14-9	knapsack	NA	NA
+FL2FABGS0007	Isosakuranetin 7-O-rhamnoside	C22H24O9	432.14203	65615-47-6	knapsack	NA	NA
+FL3FELNS0006	Agehoustin B	C22H24O9	432.14203	87402-97-9	knapsack	NA	NA
+FL3FGGNS0008	5,6,7,8,3',4',5'-Heptamethoxyflavone	C22H24O9	432.14203	6965-36-2	knapsack	NA	NA
+FL3FGLNS0005	Agecorynin C	C22H24O9	432.14203	70460-31-0	knapsack	NA	NA
+FL5FEGNS0017	3,5,6,7,3',4',5'-Heptamethoxyflavone;3,5,6,7-Tetramethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C22H24O9	432.14203	17245-30-6	knapsack	NA	NA
+FL5FELNS0017	Benthamitin	C22H24O9	432.14203	34318-24-6	knapsack	NA	NA
+FL5FFGNS0007	Hibiscetin heptamethyl ether	C22H24O9	432.14203	21634-52-6	knapsack	NA	NA
+FL5FGCNS0019	3,5,6,7,8,3',4'-Heptamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one	C22H24O9	432.14203	1178-24-1	knapsack	NA	NA
+FL6F1CGS0001	7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside	C22H24O9	432.14203	-	knapsack	NA	NA
+FLIB1AGS0001	Dihydroformononetin 7-O-glucoside;2,3-Dihydro-ononin	C22H24O9	432.14203	66918-17-0	knapsack	NA	NA
+FLID1AGS0001	Medicarpin 3-O-glucoside	C22H24O9	432.14203	52766-70-8	knapsack	NA	NA
+MJ062027	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl)(E-), 13-Ac 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062028	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Hydroxy-3-methyl-2-butenoyl)(Z-), 13-Ac 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062029	2',3',4',5,5',6,7-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062030	2',3,3',4',5,6,7-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062031	2',3,4',5,5',6,7-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062032	2',4',5,5',6,7,8-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062033	2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2,2',3,4,5,6'-Hexa-Me, 3',4'-methylene ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062034	2,3,4,7-Phenanthrenetetrol; 2,4-Di-Me ether, 3-O-?-D-glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062035	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 14-Aldehyde, 8-angeloyl, 13-Ac 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062036	3',4',5,5',6,7,8-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062037	3',4',7-Trihydroxyflavan, 3',4'-Methylene ether, 7-O-?-D-glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062038	3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062039	3,10-Epoxy-8-hydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 11?,13-Epoxide, 8-(5-acetoxy-2-methyl-2-butenoyl)(E-) 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062040	3,3',4',5,5',6,7-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062041	3,3',4',5,5',7,8-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062042	3,3',4',5,6,7,8-Heptahydroxyflavone; Hepta-Me ether 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062043	3,4-Dihydroxybenzyl alcohol; 4-O-(6-O-E-Cinnamoyl-?-D-allopyranoside) 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062044	3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Ketone, 9-angeloyl, 8-Ac 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062045	3,4-Epoxy-8,9-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062046	3,9-Dihydroxypterocarpan, 3-Me ether, 9-O-?-D-glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062047	3-Hydroxy-9-methoxypterocarpan, O-?-D-Glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062048	4',5-Dihydroxy-7-methoxyflavanone, 4'-O-?-L-Rhamnopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062049	4',7-Dihydroxyisoflavanone, 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062050	4,18:15,16-Diepoxy-7,19-dihydroxy-3,6-dioxo-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062051	5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-L-Rhamnopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062052	5,7-Dihydroxy-6-methylflavanone, 7-O-?-D-Galactopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062053	5,7-Dihydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062054	5,7-Dihydroxy-6-methylflavanone, 7-O-?-D-Galactopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062055	5,7-Dihydroxyflavanone, 7-Me ether, 5-O-?-D-glucopyranoside 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062056	5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062057	8,9-Dihydroxy-2-oxo-3,10(14),11(13)-guaiatrien-12,6-olide, 3?,4?-Epoxide, 8-(2-acetoxymethyl-2E-butenoyl) 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062058	Homonataloin A 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062059	Podophyllic acid 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062060	Salicin; 6'-O-(4-Hydroxycinnamoyl) 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062061	Salvilanguiduline A; 2?-Hydroxy 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062062	Salvilanguiduline A; 6?-Hydroxy 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062063	Salvilanguiduline A; 8?-Hydroxy 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062064	Teubrevin A; 8?-Hydroxy 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062065	Teubrevin I 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062066	Thomasic acid 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MJ062067	upestalin B 	C22H24O9	432.142032	NA	MeJP	NA	NA
+MetaCyc03544	(-)-medicarpin-3-O-glucoside []	C22H24O9	432.142032	NA	metacyc	NA	NA
+PJ001349	SSCH 	C15H24N6O7S	432.1427	NA	PeJP	NA	NA
+MJ062068	4-[5'-(Hydroxymethyl)[2,2'-bithiophen-5-yl]]-3-butyn-1-ol; Bis(3-methylbutanoyl) 	C23H28O4S2	432.1429	NA	MeJP	NA	NA
+PJ001350	SPDD 	C16H24N4O10	432.1493	NA	PeJP	NA	NA
+FL3FRNNP0009	Artocommunol CA;(+)-6-Hydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one	C26H24O6	432.15728	502627-53-4	knapsack	NA	NA
+PJ001351	GNNE 	C15H24N6O9	432.1605	NA	PeJP	NA	NA
+MJ062069	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062070	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062071	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062072	2-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, Benzyl glycoside 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062073	4-Methyl-1,2-benzenediol; 2-Me ether, 1-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062074	6-O-?-D-Galactopyranosyl-D-mannose; Pyranose-form, Benzyl glycoside 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062075	Benzyl alcohol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O11	432.163161	NA	MeJP	NA	NA
+MJ062076	Secologanol; 7-Ac 	C19H28O11	432.163161	NA	MeJP	NA	NA
+C17564	Zizybeoside I	C19H28O11	432.1632	NA	KEGG	NA	NA
+MJ062077	Purvalanol B 	C20H25ClN6O3	432.167666	NA	MeJP	NA	NA
+PJ001352	GPEM 	C17H28N4O7S	432.1679	NA	PeJP	NA	NA
+MJ062078	Chelelactam 	C25H24N2O5	432.168521	NA	MeJP	NA	NA
+MJ062079	5-Hydroxy-6-protoilluden-14-al, O-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H29ClO5	432.170351	NA	MeJP	NA	NA
+MJ062080	1,4-Diamino-1,4-dideoxyglucitol, Hexa-Ac 	C18H28N2O10	432.174395	NA	MeJP	NA	NA
+PJ001353	NNW 	C19H24N6O6	432.1757	NA	PeJP	NA	NA
+PJ001354	GGNW 	C19H24N6O6	432.1758	NA	PeJP	NA	NA
+MJ062081	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 1,3-di-Ac 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062082	10-Hydroxy-3,15,17-sphenolobatrien-12,13-olide-11,19-dioic acid, Ac, 11-Me ester 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062083	15,16-Epoxy-2-hydroxy-1-oxo-13(16),14-clerodadien-17,12-olid-18-oic acid, 2-Ac, Me ester 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062084	2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), 2,13-di-Ac 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062085	2-[2-(3,4-Dihydroxyphenyl)ethyl]tetrahydro-6-(3,4,5-trihydroxyphenyl)-2H-pyran-4-ol, 3',3''-Di-Me ether, 4-Ac 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062086	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,4-Methylene, 3',4',5,5'-tetra-Me ether 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062087	3,4:15,16-Diepoxy-6-hydroxy-13(16),14-clerodadien-20,12-olid-18-oic acid, 6-Ac, Me ester 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062088	3,6-Epoxy-11,12-dihydroxy-3,5,7,15-cembratetraen-20,10-olid-18-oic acid, 11-Ac, Me ester 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062089	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 9-(2,5-Dihydro-5S-methoxy-3-furancarbonyl), 3-Ac 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062090	7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(2,4-dihydroxy-6-methylbenzoyl) 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062091	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8,9-Bis(2-methylpropenoyl) 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062092	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062093	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 1' or 2-O-?-D-Glucopyranoside 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062094	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 1' or 7-O-?-D-Glucopyranoside 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062095	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2 or 7-O-?-D-Glucopyranoside 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062096	9-Hydroxy-3,3',4,4',5-pentamethoxy-7,9'-epoxylignan-7'-one 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062097	Abbreviatins; Abbreviatin BB 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062098	Congrayanic acid 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062099	Isoaspidins; Isoaspidin AB 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062100	Methylenebisdesaspidinol BB 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062101	Phloraspidinol; O6-De-Me 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062102	Polemannone; 4,5-Dimethoxy, 4',5'-(methylenedioxy) 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062103	Ramalinolic acid 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062104	Sekikaic acid; 2-Me ether 	C23H28O8	432.178417	NA	MeJP	NA	NA
+MJ062105	Yangambin; 7-Epimer, 4'-O-de-Me 	C23H28O8	432.178417	NA	MeJP	NA	NA
+PJ001355	PMW 	C21H28N4O4S	432.1831	NA	PeJP	NA	NA
+PJ001356	SPTE 	C17H28N4O9	432.1856	NA	PeJP	NA	NA
+PJ001357	GVEE 	C17H28N4O9	432.1857	NA	PeJP	NA	NA
+MJ062106	Vofopitant 	C21H23F3N6O	432.188544	NA	MeJP	NA	NA
+8006	synthetic peptide	LWD	432.1899	antibacterial	Inhouse_peptide	NA	peptide
+MJ062107	Achlisocoumarin II 	C27H28O5	432.193674	NA	MeJP	NA	NA
+MJ062108	Aspulvinone A 	C27H28O5	432.193674	NA	MeJP	NA	NA
+MJ062109	Aspulvinone B 	C27H28O5	432.193674	NA	MeJP	NA	NA
+MJ062110	Aspulvinone H 	C27H28O5	432.193674	NA	MeJP	NA	NA
+MJ062111	Sinensol E 	C27H28O5	432.193674	NA	MeJP	NA	NA
+MetaCyc03545	aspulvinone-h []	C27H28O5	432.193674	57744-69-1	metacyc	NA	NA
+C02008	Aspulvinone H	C27H28O5	432.1937	NA	KEGG	NA	NA
+MJ062112	Fluprednidene; 21-Ac 	C24H29FO6	432.194816	NA	MeJP	NA	NA
+MJ062113	Triamcinolone; 16,17-Prop-2-enal acetal 	C24H29FO6	432.194816	NA	MeJP	NA	NA
+PJ001358	EER 	C16H28N6O8	432.1969	NA	PeJP	NA	NA
+MJ062114	Furanoeremophilane-3,6-diol, 6-O-Angeloyl, 3-(3-methylthio-2Z-propenoyl) 	C24H32O5S	432.197044	NA	MeJP	NA	NA
+PJ001359	VEW 	C21H28N4O6	432.2009	NA	PeJP	NA	NA
+PJ001360	SPVM 	C18H32N4O6S	432.2043	NA	PeJP	NA	NA
+MJ062115	Mizolastine 	C24H25FN6O	432.207387	NA	MeJP	NA	NA
+PJ001361	GSNR 	C15H28N8O7	432.2081	NA	PeJP	NA	NA
+MJ062116	Lexitropsins; Lexitropsin AB 	C16H24N12O3	432.209432	NA	MeJP	NA	NA
+MJ062117	11-[4-(Methylthio)phenyl]spiro[estra-4,9-diene-17,2'(5'H)-furan]-3-one 	C28H32O2S	432.2123	NA	MeJP	NA	NA
+C09111	Inflexin	C24H32O7	432.2148	NA	KEGG	NA	NA
+C10622	Grandisin	C24H32O7	432.2148	NA	KEGG	NA	NA
+C10657	Magnosalicin	C24H32O7	432.2148	NA	KEGG	NA	NA
+C17064	Schizandrin	C24H32O7	432.2148	NA	KEGG	NA	NA
+MJ062118	1,2,5-Trihydroxy-11,13(15)-cassadien-16,12-olide, 1,2-Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062119	1,2,6-Trihydroxyfuranoeremophilan-9-one, 1-(3-Methyl-2-butenoyl), 6-(methylpropanoyl) 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062120	1,20-Diacetoxy-6,7-epoxy-1,3(20),10,14-phytatetraen-19,5-olide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062121	1,3,11-Trihydroxy-16-kaurene-6,15-dione, 1,3-Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062122	1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062123	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(2-methylbutanoyl) 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062124	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(3-methylbutanoyl) 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062125	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1-Benzoyl, 9-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062126	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062127	13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone, 17,19-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062128	13(16),14-Spongiadiene-2,3,17,19-tetrol, 2-Ketone, 3,19-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062129	13(16),14-Spongiadiene-2,3,17,19-tetrol; 3?-form, 2-Ketone, 3,19-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062130	14(17)-Vouacapene-1,5,6,7-tetrol, 1,7-Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062131	14,15-Epoxy-3,5,11,19-tetrahydroxybufa-20,22-dienolide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062132	14,15-Epoxy-3,5,16,19-tetrahydroxybufa-20,22-dienolide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062133	14,15-Epoxy-4-isocedrene-3,14,15-triol, 3-Angeloyl, 14,15-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062134	16-Kaurene-1,3,6,11,15-pentol, 6,15-Diketone, 1,3-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062135	16-Kaurene-3,6,7,11,15-pentol, 6,15-Diketone, 3,7-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062136	16-Kaurene-3,6,7,11,15-pentol, 6,15-Diketone, 7,11-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062137	17,18-Epoxy-6,14,18-trihydroxy-1(19),7,10(17),12-xenicatetraen-11-one, 6,18-Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062138	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 6-Ketone, 2,3-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062139	2,7,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2,14-Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062140	3,3',4,4',5,5'-Hexahydroxy-7,7'-epoxylignan, Hexa-Me ether 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062141	3,3',4,4',5,5'-Hexahydroxy-9,9'-epoxylignan, Hexa-Me ether 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062142	3,3',4,4',5,9,9'-Heptahydroxylignan, 3,4-Methylene, 3',4',5,9,9'-penta-Me ether 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062143	3,4-Epoxy-10,14-dihydroxy-7,11,15(17)-cembratrien-16,2-olide, Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062144	3,5,11,14-Tetrahydroxy-12-oxobufa-20,22-dienolide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062145	3,5,12,14-Tetrahydroxy-11-oxobufa-20,22-dienolide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062146	7,11-Dihydroxy-16-oxo-12-spongien-17-al, Di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062147	7,12-Dihydroxy-8,12-abietadiene-11,14-dione; 7?-form, 16-Acetoxy, 12-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062148	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-Ketone, 6,15-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062149	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 15-Ketone, 1,6-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062150	7-Protoilludene-1,5,6,14-tetrol, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062151	7-Protoilludene-5,6,13,14-tetrol, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062152	9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7-(2-methylbutanoyl), 8-(methylpropanoyl) 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062153	9,11-Epoxy-1,2,6-trihydroxy-15-kauranone, 16,17-Didehydro, 1,2-di-Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062154	Atranone F 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062155	Branacenal 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062156	Chrolactomycin 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062157	Etiproston 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062158	Furcellataepoxylactone 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062159	Gelomulide C; 3?-Alcohol, 3-Ac, 6?-acetoxy 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062160	Heterotropanone 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062161	Isoschizandrin 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062162	Jaspiferoic acid B 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062163	Magnosalicin 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062164	Megaphone; Ac 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062165	Oligosporol A; 1-Ketone, 10'?,11'?-epoxide 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062166	Oligosporol A; 12'-Hydroxy, 1-ketone 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062167	Schizandrin 	C24H32O7	432.214803	NA	MeJP	NA	NA
+MJ062168	Shikoccin; 1?-Acetoxy 	C24H32O7	432.214803	NA	MeJP	NA	NA
+PJ001362	ATLE 	C18H32N4O8	432.222	NA	PeJP	NA	NA
+7499	ACE inhibitor (from bovine as1-CN)	FVAP	432.225	antioxidative	Inhouse_peptide	NA	peptide
+MJ062169	Enciprazine 	C23H32N2O6	432.226036	NA	MeJP	NA	NA
+MJ062170	Agerasanin 	C28H32O4	432.230059	NA	MeJP	NA	NA
+MJ062171	Machuone 	C28H32O4	432.230059	NA	MeJP	NA	NA
+MJ062172	Usambarensine 	C29H28N4	432.231396	NA	MeJP	NA	NA
+C09249	Usambarensine	C29H28N4	432.2314	NA	KEGG	NA	NA
+C07777	Buclizine	C28H33ClN2	432.2332	NA	KEGG	NA	NA
+MJ062173	Buclizine 	C28H33ClN2	432.233226	NA	MeJP	NA	NA
+PJ001363	GTQK 	C17H32N6O7	432.2333	NA	PeJP	NA	NA
+MJ062174	10,11-Epoxy-2,7,12-guaianetriol, 2-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062175	10,11-Epoxy-2,7,8-guaianetriol, 2-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062176	11-Eudesmene-3,4,7,8-tetrol, 3-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062177	3,4,11-Trihydroxy-8-eudesmanone, 4-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062178	3-Eudesmene-1,6,11,14-tetrol, 6-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062179	4(15)-Eudesmene-1,6,11,14-tetrol, 6-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062180	4,14-Epoxy-1,6,11-eudesmanetriol, 6-O-?-D-Glucopyranoside 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062181	Citriodorin 	C21H36O9	432.235932	NA	MeJP	NA	NA
+MJ062182	osumin 	C22H32N4O5	432.23727	NA	MeJP	NA	NA
+PJ001364	GPLF 	C22H32N4O5	432.2373	NA	PeJP	NA	NA
+PJ001365	GLLM 	C19H36N4O5S	432.2407	NA	PeJP	NA	NA
+MJ062183	Tamolarizine 	C27H32N2O3	432.241292	NA	MeJP	NA	NA
+MJ062184	1,9-Heptadecadiene-11,13-diyn-8-ol, 8-(2-O-Acetyl-L-rhamnoside) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062185	11,12-Epoxy-7-drimene-2,3,11-triol, 2,3-Diangeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062186	11,12-Epoxy-7-drimene-2,3,11-triol, 2,3-Ditigloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062187	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Butanoyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062188	14-Hydroxy-3,5(10),11-cyathatrien-15-al; 14?-form, 14-O-?-D-Xylopyranoside 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062189	16,17-Epoxy-9,12-dihydroxy-18-kauranoic acid, 12-Angeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062190	2,3,18-Trihydroxy-8(17),13-labdadien-15,16-olide, 3-Angeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062191	2,4,6-Trihydroxy-8-daucen-10-one, 2,6-Diangeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062192	2-Hydroxy-8,12-dioxo-4,11(13)-bulgaradien-15-oic acid; 2-Decanoyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062193	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062194	3,5,14-Trihydroxycard-20(22)-enolide, 3-Ac 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062195	3,9,15-Trihydroxy-16-kauren-19-oic acid, 15-(3-Methyl-2-butenoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062196	3,9,15-Trihydroxy-16-kauren-19-oic acid, 15-Angeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062197	3,9,15-Trihydroxy-16-kauren-19-oic acid, 15-Tigloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062198	4,18-Epoxy-6,19-dihydroxy-13-cleroden-15,16-olide, 19-Tigloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062199	6-Hydroxy-7,13-labdadien-16,15-olid-17-oic acid; 6?-form, 2-Methylbutanoyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062200	7,14-Dihydroxy-8,15-isopimaradien-18-oic acid, Di-Ac, Me ester 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062201	8,10,12,14-Epiamphilectatetraene-9,10-diol, 10-O-?-D-Arabinopyranoside 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062202	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-?-D-Xylopyranoside 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062203	8,9,10-Trihydroxy-3-longipinen-5-one, 10-Angeloyl, 9-(3-methylbutanoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062204	8,9,10-Trihydroxy-3-longipinen-5-one, 9-Angeloyl, 8-(2-methylbutanoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062205	8,9,10-Trihydroxy-3-longipinen-5-one, 9-Angeloyl, 8-(3-methylbutanoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062206	8,9,10-Trihydroxy-5-longipinanone, 8,9-Diangeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062207	8,9,10-Trihydroxy-5-longipinanone, 8,10-Diangeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062208	8,9,10-Trihydroxy-5-longipinanone, 8,9-Diangeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062209	8,9,10-Trihydroxy-5-longipinanone, 9,10-Diangeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062210	8,9,10-Trihydroxy-5-longipinanone, 9,10-Ditigloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062211	8-Daucene-4,6-diol, 6-(3,4,5-Trimethoxybenzoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062212	9,13,15-Trihydroxy-16-kauren-19-oic acid, 15-Angeloyl 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062213	Abogenin 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062214	Antibiotic L 669262 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062215	Chechum toxin 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062216	Colupdox a 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062217	Decinnamoyljolkinol B; 3-Propanoyl, 15-Ac 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062218	Erinacine C; 15-Aldehyde 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062219	Erinacine E 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062220	Fukinolidiol; 1-Angeloyl, 9-(3-methylbutanoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062221	Fukinolidiol; 9-Angeloyl, 1-(2-methylbutanoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062222	Fukinolidiol; 9-Angeloyl, 1-(3-methylbutanoyl) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062223	Papuanic acid 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062224	Vibsanin C; 14?,15-Epoxide(1) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062225	Vibsanin C; 14?,15-Epoxide(2) 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062226	Vibsanin E; 3?-Hydroxy 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062227	Vibsanin G 	C25H36O6	432.251188	NA	MeJP	NA	NA
+MJ062228	Vibsanin H 	C25H36O6	432.251188	NA	MeJP	NA	NA
+C08765	Glycinoeclepin A	C25H36O6	432.2512	NA	KEGG	NA	NA
+PJ001366	STLL 	C19H36N4O7	432.2584	NA	PeJP	NA	NA
+C17979	Formimidoyl-fortimicin A	C18H36N6O6	432.2696	NA	KEGG	NA	NA
+C17980	1-Epidactimicin	C18H36N6O6	432.2696	NA	KEGG	NA	NA
+C17988	Istamycin A2	C18H36N6O6	432.2696	NA	KEGG	NA	NA
+MJ062229	Dactimicin 	C18H36N6O6	432.269632	NA	MeJP	NA	NA
+MJ062230	Istamycin A; N2''-Carbamoyl 	C18H36N6O6	432.269632	NA	MeJP	NA	NA
+MJ062231	Sporaricin C 	C18H36N6O6	432.269632	NA	MeJP	NA	NA
+PJ001367	GTKK 	C18H36N6O6	432.2697	NA	PeJP	NA	NA
+MJ062232	Aspochracin 	C23H36N4O4	432.273655	NA	MeJP	NA	NA
+MJ062233	12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, 25?12 Lactone 	C26H40O5	432.287574	NA	MeJP	NA	NA
+MJ062234	12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, 25?12-Lactone 	C26H40O5	432.287574	NA	MeJP	NA	NA
+MJ062235	3,29-Dihydroxy-24,25,26,27-tetranorlanost-8-eno-23,17-lactone, 22R-Hydroxy 	C26H40O5	432.287574	NA	MeJP	NA	NA
+MJ062236	Latanoprost 	C26H40O5	432.287574	NA	MeJP	NA	NA
+MJ062237	Salviaethiopisolide 	C26H40O5	432.287574	NA	MeJP	NA	NA
+C16146	4,4'-Diaponeurosporenic acid	C30H40O2	432.3028	NA	KEGG	NA	NA
+MJ062238	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062239	4,4'-Diapocaroten-4-oic acid; 20,21-Dihydro 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062240	8'-Apo-?-caroten-8'-al; 8'-Carboxylic acid 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062241	8,11';12,12'-Bi[1(10),7-eremophiladien-9-one] 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062242	?-Citraurol; 8'-Aldehyde 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062243	Biscineradienone 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062244	?-Citraurin 	C30H40O2	432.30283	NA	MeJP	NA	NA
+MJ062245	16,18,20-Trihydroxycholesta-1,4,22-trien-3-one, 1,2,22,23-Tetrahydro 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062246	16,20,22-Trihydroxycholest-4-en-3-one 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062247	21,24-Epoxy-17,21-dihydroxycholesta-1,4-dien-3-one, 1,2,4,5-Tetrahydro 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062248	22,25-Epoxycholest-7-ene-2,3,4-triol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062249	22,25-Epoxyfurostane-3,26-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062250	23,26-Epoxy-9,10-secocholesta-5,7-diene-3,25,26-triol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062251	3,16,17-Trihydroxycholest-5-en-22-one 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062252	3,23,25-Trihydroxy-9,10-secocholesta-5,7-dien-24-one 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062253	3,6,20-Trihydroxycholest-9(11)-en-23-one 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062254	3,6-Dihydroxy-9-oxo-9,11-secocholest-7-en-11-al 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062255	3,9,14-Trihydroxycholest-7-en-6-one 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062256	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Octadecyl ester 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062257	6,19-Epidioxy-9,10-secocholesta-5(10),7-diene-3,25-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062258	6-Methyl-1-heptadecanol, 3,4-Dihydroxycinnamoyl(E-) 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062259	7,13-Thyrsifloranediol, 13-(3-Methylbutanoyl), 7-Ac 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062260	9,10-Secocholesta-5,7,10(19)-triene-1,3,22,25-tetrol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062261	9,10-Secocholesta-5,7,10(19)-triene-3,23,24,25-tetrol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062262	9,10-Secocholesta-5,7,10(19)-triene-3,23,25,26-tetrol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062263	9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062264	9,11-Epoxycholest-7-ene-3,5,6-triol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062265	Cabraleahydroxylactone; 17?-Hydroxy 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062266	Cholesta-7,22-diene-3,5,6,9-tetrol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062267	Chologenin 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062268	Donanic acid 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062269	Glaciasterol B 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062270	Spirostane-1,3-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062271	Spirostane-2,3-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062272	Spirostane-3,11-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062273	Spirostane-3,12-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062274	Spirostane-3,15-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062275	Spirostane-3,23-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062276	Spirostane-3,25-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062277	Spirostane-3,27-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062278	Spirostane-3,6-diol 	C27H44O4	432.323959	NA	MeJP	NA	NA
+MJ062279	Trixagol; Malonyl, 2-methylpropyl ester 	C27H44O4	432.323959	NA	MeJP	NA	NA
+HMDB06228	24-Hydroxycalcitriol	C27H44O4	432.32397	http://www.hmdb.ca/metabolites/HMDB06228	HMDB	NA	NA
+HMDB06228	24-Hydroxycalcitriol	C27H44O4	432.32397	HMDB06228	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06228	24-Hydroxycalcitriol	C27H44O4	432.323975	NA	HMDB2010	NA	NA
+HMDB12454	3 beta,7 alpha-Dihydroxy-5-cholestenoate	C27H44O4	432.323975	NA	HMDB2010	NA	NA
+C08899	Gitogenin	C27H44O4	432.324	NA	KEGG	NA	NA
+C16494	3beta,5beta-Ketotriol	C27H44O4	432.324	NA	KEGG	NA	NA
+C17003	Neogitogenin	C27H44O4	432.324	NA	KEGG	NA	NA
+C17335	3beta,7alpha-Dihydroxy-5-cholestenoate	C27H44O4	432.324	NA	KEGG	NA	NA
+MJ062280	Baleabuxidine I; N20,N20-Di-Me 	C26H44N2O3	432.335193	NA	MeJP	NA	NA
+C15790	Cathasterone	C28H48O3	432.3603	NA	KEGG	NA	NA
+C15800	3-Dehydro-6-deoxoteasterone	C28H48O3	432.3603	NA	KEGG	NA	NA
+C16252	(22R,23R)-22,23-Dihydroxycampesterol	C28H48O3	432.3603	NA	KEGG	NA	NA
+MJ062281	2-(4-Hydroxyphenyl)ethanol; 1-O-Eicosanoyl 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062282	24-Methyl-5,6-secocholest-7-ene-3,5,6-triol, 22,23-Didehydro 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062283	24-Methyl-5,6-secocholest-7-ene-3,5,6-triol, 24,28-Didehydro 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062284	3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one, 24,28-Dihydro 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062285	3,5-Dihydroxyergostan-6-one 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062286	3,7-Dimethyl-1,6-octadiene-3,4-diol, 4-(9Z,12Z-Octadecadienoyl) 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062287	?-Tocopheryl quinone 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062288	Capiquinones; Capiquinone E 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062289	Cholesta-7,22-diene-3,5,6-triol, 22,23-Dihydro, 6-Me ether 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062290	Ergost-22-ene-3,5,6-triol 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062291	Ergost-24(28)-ene-3,5,6-triol 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062292	Ergost-5-ene-1,3,11-triol 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062293	Ergost-5-ene-3,22,25-triol 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062294	Ergost-7-ene-3,5,6-triol 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MJ062295	Ergosta-5,24(28)-diene-1,3,11-triol, 5?,6-Dihydro 	C28H48O3	432.360345	NA	MeJP	NA	NA
+MetaCyc03546	3-dehydro-6-deoxoteasterone [dehydro-deoxoteasterone;]	C28H48O3	432.360345	NA	metacyc	NA	NA
+MetaCyc03547	cathasterone []	C28H48O3	432.360345	NA	metacyc	NA	NA
+MJ062296	Cyclomicrophylline I; 6,7-Dihydro, N3,N20,N20-tri-Me 	C27H48N2O2	432.371578	NA	MeJP	NA	NA
+MJ062297	Solacapine 	C27H48N2O2	432.371578	NA	MeJP	NA	NA
+C10818	Solacapine	C27H48N2O2	432.3716	NA	KEGG	NA	NA
+MJ062298	20,32-Cyclobishomo-20,22,31-hopatriene 	C32H48	432.375601	NA	MeJP	NA	NA
+MJ062299	14-Methylergostane-3,25-diol 	C29H52O2	432.39673	NA	MeJP	NA	NA
+MJ062300	5,9,23-Nonacosatrienoic acid 	C29H52O2	432.39673	NA	MeJP	NA	NA
+MJ062301	5-Tricosyl-1,3-benzenediol 	C29H52O2	432.39673	NA	MeJP	NA	NA
+MJ062302	Cholestan-3-one; 5?-form, Di-Me acetal 	C29H52O2	432.39673	NA	MeJP	NA	NA
+MJ062303	Stigmastane-3,5-diol 	C29H52O2	432.39673	NA	MeJP	NA	NA
+MJ062304	Stigmastane-3,6-diol 	C29H52O2	432.39673	NA	MeJP	NA	NA
+MJ062305	15,19,23-Triacontatrien-13-ol 	C30H56O	432.433116	NA	MeJP	NA	NA
+MJ062306	2-Tridecyl-2,4-heptadecadienal 	C30H56O	432.433116	NA	MeJP	NA	NA
+MJ062307	1,22-Hentriacontadiene 	C31H60	432.469501	NA	MeJP	NA	NA
+3512	ACE inhibitor (as1-CN 157-164)	DAYPSGAW	432.67395	MH2+	Inhouse_peptide	NA	peptide
+3974	ACE inhibitor	YGLVAGTW	432.71	MH2+	Inhouse_peptide	NA	peptide
+3798	NA	WWPKHN~	432.71045	MH2+	Inhouse_peptide	NA	peptide
+MJ062308	3,5-Diiodotyrosine 	C9H9I2NO3	432.867179	NA	MeJP	NA	NA
+MJ062309	Betasine 	C9H9I2NO3	432.867179	NA	MeJP	NA	NA
+MetaCyc03548	diiodo-L-tyrosine [diiodotyrosine;3,5-diiodotyrosine;diiodo-L-tyrosine;iodotyrosine;3,5-diiodo-L-tyrosine;]	C9H9N1O3I2	432.867179	66-02-4	metacyc	NA	NA
+MJ062310	432.988818837 3-(3,5-Dibromo-4-hydroxyphenyl)-2-propenoic acid, 4-O-(3-Dimethylaminopropyl), Et ester 	C9H9I2NO3	432.86718	NA	MeJP	NA	NA
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.867188	NA	HMDB2010	NA	NA
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.86719	http://www.hmdb.ca/metabolites/HMDB03474	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.86719	http://www.hmdb.ca/metabolites/HMDB03474	HMDB	NA	NA
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.86719	NA  ;SYN:1-Methyl-5-imidazoleacetic acid; 1-methyl-Imidazole-5-acetic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.86719	http://www.hmdb.ca/metabolites/HMDB03474	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03474	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.86719	HMDB03474	PFEM_hmdb_metabocards_official	NA	NA
+C01060	3,5-Diiodo-L-tyrosine	C9H9I2NO3	432.8672	NA	KEGG	NA	NA
+MJ062311	Benzthiazide; 3,4-Dihydro 	C15H16ClN3O4S3	432.999145	NA	MeJP	NA	NA
+MJ062312	Antazirine 	C17H25Br2NO2	433.025204	NA	MeJP	NA	NA
+MJ062313	Spiroplatin 	C8H18N2O4PtS	433.063502	NA	MeJP	NA	NA
+MJ062314	Cyfluthrin 	C22H18Cl2FNO3	433.064777	NA	MeJP	NA	NA
+C10982	Cyfluthrin	C22H18Cl2FNO3	433.0648	NA	KEGG	NA	NA
+FL7AAAGA0001	Fragarin	C21H21O10	433.11347	574-57-2	knapsack	NA	NA
+FL7AAAGL0002	Callistephin;Pelargonidin 3-O-beta-D-glucopyranoside	C21H21O10	433.11347	18466-51-8	knapsack	NA	NA
+FL7AAAGS0005	Pelargonidin 5-galactoside	C21H21O10	433.11347	157526-28-8	knapsack	NA	NA
+FL7AAAGS0006	Pelargonidin 7-glucoside	C21H21O10	433.11347	125107-92-8	knapsack	NA	NA
+FL7AACGS0003	Cyanidin 3-rhamnoside	C21H21O10	433.11347	38533-30-1	knapsack	NA	NA
+FL7AADGS0001	Peonidin 3-arabinoside	C21H21O10	433.11347	27214-74-0	knapsack	NA	NA
+FL7DACGS0001	Luteolinidin 5-glucoside	C21H21O10	433.11347	13089-93-5	knapsack	NA	NA
+FL7DACGS0002	Luteolinidin 7-glucoside	C21H21O10	433.11347	53948-05-3	knapsack	NA	NA
+MetaCyc03549	pelargonidin-3-O-&beta;-D-glucoside [C21H21CLO5;callistephin;3-(&beta;-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride;]	C21H21O10	433.113472	NA	metacyc	NA	NA
+C12137	Pelargonidin 3-O-glucoside	C21H21O10	433.1135	NA	KEGG	NA	NA
+MJ062315	Benzilonium(1+), Bromide 	C22H28BrNO3	433.125256	NA	MeJP	NA	NA
+MJ062316	Pipenzolate(1+); Bromide 	C22H28BrNO3	433.125256	NA	MeJP	NA	NA
+MJ062317	Glaucine, 3-Chloro, N-de-Me, N-methoxycarbonyl 	C22H24ClNO6	433.129215	NA	MeJP	NA	NA
+C16445	Dihydrozeatin riboside monophosphate	C15H24N5O8P	433.1362	NA	KEGG	NA	NA
+MJ062318	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-(O-acetyl-?-L-rhamnopyranoside) 	C21H23NO9	433.137281	NA	MeJP	NA	NA
+PJ001368	GNDE 	C15H23N5O10	433.1445	NA	PeJP	NA	NA
+MJ062319	N-[[5-[(2-Amino-3-mercaptopropyl)amino][1,1']-biphenyl]-2-yl]carbonylmethionine 	C21H27N3O3S2	433.149383	NA	MeJP	NA	NA
+MJ062320	Trichanthin A; 4'-Deoxy 	C22H27NO6S	433.155908	NA	MeJP	NA	NA
+MJ062321	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-rutinoside 	C18H27NO11	433.15841	NA	MeJP	NA	NA
+MJ062322	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside, 4-O-(6-deoxy-?-D-allopyranoside) 	C18H27NO11	433.15841	NA	MeJP	NA	NA
+MJ062323	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-?-D-glucopyranoside, 4-O-(6-deoxy-?-D-gulopyranoside) 	C18H27NO11	433.15841	NA	MeJP	NA	NA
+PJ001369	NDW 	C19H23N5O7	433.1598	NA	PeJP	NA	NA
+PJ001370	SPCQ 	C16H27N5O7S	433.1631	NA	PeJP	NA	NA
+MJ062324	Isochromophilone VI 	C23H28ClNO5	433.1656	NA	MeJP	NA	NA
+MJ062325	Hetacillin; Methoxymethyl ester 	C21H27N3O5S	433.167141	NA	MeJP	NA	NA
+MJ062326	Higenamine, 4'-O-?-D-Glucopyranoside 	C22H27NO8	433.173666	NA	MeJP	NA	NA
+MJ062327	Sinococuline; 6-Epimer, 10?-hydroxy, O6,O7-di-Ac 	C22H27NO8	433.173666	NA	MeJP	NA	NA
+MJ062328	Tirandamycin A; 11-Hydroxy 	C22H27NO8	433.173666	NA	MeJP	NA	NA
+MJ062329	Isonaamidine A; Di-Me ether 	C23H23N5O4	433.175004	NA	MeJP	NA	NA
+MJ062330	Meleagrin 	C23H23N5O4	433.175004	NA	MeJP	NA	NA
+MJ062331	Naamidine A 	C23H23N5O4	433.175004	NA	MeJP	NA	NA
+PJ001371	MHF 	C20H27N5O4S	433.1784	NA	PeJP	NA	NA
+MJ062332	Ciclofenazine 	C23H26F3N3S	433.179953	NA	MeJP	NA	NA
+PJ001372	GTQE 	C16H27N5O9	433.1809	NA	PeJP	NA	NA
+3126	fibronectin inhibitor	RGDS	433.1809	celiac toxic	Inhouse_peptide	NA	peptide
+MJ062333	Echiumine; 2'',3''-Dihydro, 2''R*-hydroxy, 3''S*-chloro 	C20H32ClNO7	433.18673	NA	MeJP	NA	NA
+MJ062334	8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol; 8?-form, O4'-Me 	C26H27NO5	433.188922	NA	MeJP	NA	NA
+MJ062335	Coyhaiquine 	C26H27NO5	433.188922	NA	MeJP	NA	NA
+MJ062336	Karachine 	C26H27NO5	433.188922	NA	MeJP	NA	NA
+PJ001373	GSDR 	C15H27N7O8	433.1921	NA	PeJP	NA	NA
+MJ062337	Gerambullal; N-Me 	C23H31NO5S	433.192293	NA	MeJP	NA	NA
+MJ062338	Gerambullin; 5'-Oxo, ?3',4'-isomer, N-Me 	C23H31NO5S	433.192293	NA	MeJP	NA	NA
+MJ062339	Gerambullin; 5'-Oxo, N-Me 	C23H31NO5S	433.192293	NA	MeJP	NA	NA
+PJ001374	TQW 	C20H27N5O6	433.1961	NA	PeJP	NA	NA
+PJ001375	GATW 	C20H27N5O6	433.1962	NA	PeJP	NA	NA
+PJ001376	GVQM 	C17H31N5O6S	433.1995	NA	PeJP	NA	NA
+3724	NA	WWPKHGG	433.202	MH2+	Inhouse_peptide	NA	peptide
+MJ062340	Penethamate 	C22H31N3O4S	433.203527	NA	MeJP	NA	NA
+HMDB10341	Dextrorphan O-glucuronide	C23H31NO7	433.210052	NA	HMDB2010	NA	NA
+MJ062341	Ipanguline D3; 2''-Epimer, 7-O-(phenylacetyl), 3''-Ac 	C23H31NO7	433.210052	NA	MeJP	NA	NA
+MJ062342	Ipanguline D3; 7-O-(Phenylacetyl), 3''-Ac 	C23H31NO7	433.210052	NA	MeJP	NA	NA
+MJ062343	Longanine; O6-Ac, di-Me ether 	C23H31NO7	433.210052	NA	MeJP	NA	NA
+MJ062344	Mycophenolic acid; 2-(4-Morpholinyl)ethyl ester 	C23H31NO7	433.210052	NA	MeJP	NA	NA
+C07908	Mycophenolate mofetil	C23H31NO7	433.2101	NA	KEGG	NA	NA
+PJ001377	QMR 	C16H31N7O5S	433.2108	NA	PeJP	NA	NA
+PJ001378	GTKE 	C17H31N5O8	433.2173	NA	PeJP	NA	NA
+PJ001379	CRR 	C15H31N9O4S	433.222	NA	PeJP	NA	NA
+MJ062345	1,2,15-Hetisantriol, 2-Benzoyl 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062346	Crassicauline B 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062347	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, O17-(3-Pyridinecarboxylate), 3-propanoyl 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062348	Hericenone B 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062349	Ilicicolin H 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062350	Kobusine; 6-Hydroxy, O15-benzoyl 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062351	Paspalinine 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062352	Ryosenaminol; O2-Benzoyl 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+MJ062353	Sanyonamine; 11?-Hydroxy, 2-benzoyl 	C27H31NO4	433.225308	NA	MeJP	NA	NA
+PJ001380	GTTR 	C16H31N7O7	433.2285	NA	PeJP	NA	NA
+PJ001381	TKW 	C21H31N5O5	433.2325	NA	PeJP	NA	NA
+PJ001382	GVKM 	C18H35N5O5S	433.2359	NA	PeJP	NA	NA
+MJ062354	Delpheline; 6-Ketone, O14-de-Me 	C24H35NO6	433.246437	NA	MeJP	NA	NA
+MJ062355	Heteratisine; O6-Ac 	C24H35NO6	433.246437	NA	MeJP	NA	NA
+MJ062356	Norerythrosuamide; 7-Ketone 	C24H35NO6	433.246437	NA	MeJP	NA	NA
+MJ062357	Peregrinine 	C24H35NO6	433.246437	NA	MeJP	NA	NA
+PJ001383	KMR 	C17H35N7O4S	433.2471	NA	PeJP	NA	NA
+MJ062358	Lirexapride 	C24H36ClN3O2	433.249605	NA	MeJP	NA	NA
+MJ062359	Antibiotic SF 2052B 	C18H35N5O7	433.253648	NA	MeJP	NA	NA
+MJ062360	Fortimicin A; N?-Formyl 	C18H35N5O7	433.253648	NA	MeJP	NA	NA
+MJ062361	Sisomicin B 	C18H35N5O7	433.253648	NA	MeJP	NA	NA
+MJ062362	Sisomicin D 	C18H35N5O7	433.253648	NA	MeJP	NA	NA
+MJ062363	Sisomicin; N-De-Me 	C18H35N5O7	433.253648	NA	MeJP	NA	NA
+PJ001384	SSLK 	C18H35N5O7	433.2537	NA	PeJP	NA	NA
+C11298	N-Formyl-norleucyl-leucyl-phenylalanyl-methylester	C23H35N3O5	433.2577	NA	KEGG	NA	NA
+MJ062364	18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione 	C28H35NO3	433.261693	NA	MeJP	NA	NA
+MJ062365	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 18,19-Dideoxy, 19,20-didehydro (E-) 	C28H35NO3	433.261693	NA	MeJP	NA	NA
+MJ062366	Antibiotic PF 1018 	C28H35NO3	433.261693	NA	MeJP	NA	NA
+MJ062367	Erythronolide A; 9-Oxime 	C21H39NO8	433.267567	NA	MeJP	NA	NA
+MJ062368	Cassamine 	C25H39NO5	433.282823	NA	MeJP	NA	NA
+MJ062369	Delpheline; 6-Deoxy 	C25H39NO5	433.282823	NA	MeJP	NA	NA
+MJ062370	Karakoline; O1-Me, O14-Ac 	C25H39NO5	433.282823	NA	MeJP	NA	NA
+MJ062371	Karakoline; O14-Me, O8-Ac 	C25H39NO5	433.282823	NA	MeJP	NA	NA
+MJ062372	Pyrochasmanine 	C25H39NO5	433.282823	NA	MeJP	NA	NA
+MJ062373	Mofarotene 	C29H39NO2	433.298079	NA	MeJP	NA	NA
+MJ062374	Alinastine 	C28H39N3O	433.309312	NA	MeJP	NA	NA
+C15557	Glycolithocholate	C26H43NO4	433.3192	NA	KEGG	NA	NA
+C15558	Dermatan 6'-sulfate	C26H43NO4	433.3192	NA	KEGG	NA	NA
+MJ062375	3-Hydroxycholan-24-oic acid, Glycine amide 	C26H43NO4	433.319208	NA	MeJP	NA	NA
+HMDB00698	Lithocholic acid glycine conjugate	C26H43NO4	433.31921	http://www.hmdb.ca/metabolites/HMDB00698	HMDB	NA	NA
+HMDB00698	Lithocholic acid glycine conjugate	C26H43NO4	433.31921	Short chain acyl carnitines  ;SYN:O-Butanoylcarnitine;(R)-3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-Propanaminium; (3-carboxy-2-hydroxypropyl)trimethyl-L-butyrate;  ester with (3-carboxy-2-hydroxypropyl)trimethylammonium  L-Butyric acid; ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium Butyric acid; Butyryl-L-carnitine; L-Carnitine butyryl ester; n-Butyryl-L(-)-carnitineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00698	Lithocholic acid glycine conjugate	C26H43NO4	433.31921	HMDB00698	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00698	Lithocholic acid glycine conjugate	C26H43NO4	433.319214	NA	HMDB2010	NA	NA
+MJ062376	Mycalazal 1 	C30H43NO	433.334465	NA	MeJP	NA	NA
+3499	ACE inhibitor from b-casein	SKVLPVPE	433.746	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc03550	diiodo-4-hydroxyphenyl-lactate [3-(3,5-diiodo-4-hydroxyphenyl)lactate;&beta;-(3,5-diiodo-4-hydroxyphenyl)lactate;]	C9H8O4I2	433.851195	NA	metacyc	NA	NA
+C04367	3-(3,5-Diiodo-4-hydroxyphenyl)lactate	C9H8I2O4	433.8512	NA	KEGG	NA	NA
+MJ062377	5-[3,5-Dibromo-4-[(2-oxo-5-oxazolidinyl)methoxy]phenyl]-2-oxazolidinone 	C13H12Br2N2O5	433.911296	NA	MeJP	NA	NA
+MJ062378	Midpacamide 	C13H16Br2N4O3	433.958915	NA	MeJP	NA	NA
+MJ062379	Ellagic acid; 2-O-?-D-Xylopyranoside 	C19H14O12	434.048525	NA	MeJP	NA	NA
+MJ062380	Hexasonium(1+), Iodide 	C18H27IO2S	434.077644	NA	MeJP	NA	NA
+FL3FAGGS0002	Tricetin 3'-xyloside	C20H18O11	434.08491	117247-36-6	knapsack	NA	NA
+FL3FALGS0002	Isoetin 2'-xyloside	C20H18O11	434.08491	134981-95-6	knapsack	NA	NA
+FL3FECGS0003	6-Hydroxyluteolin 6-xyloside	C20H18O11	434.08491	65876-67-7	knapsack	NA	NA
+FL3FECGS0007	6-Hydroxyluteolin 7-arabinopyranoside	C20H18O11	434.08491	52828-25-8	knapsack	NA	NA
+FL3FECGS0008	6-Hydroxyluteolin 7-xyloside	C20H18O11	434.08491	-	knapsack	NA	NA
+FL3FECGS0010	6-Hydroxyluteolin 7-apioside	C20H18O11	434.08491	76318-87-1	knapsack	NA	NA
+FL3FFCGS0001	8-Hydroxyluteolin 7-xyloside	C20H18O11	434.08491	126771-28-6	knapsack	NA	NA
+FL5FACGS0001	Avicularin;Avicularine;Avicularoside;Quercetin 3-alpha-L-arabinofuranoside	C20H18O11	434.08491	572-30-5	knapsack	NA	NA
+FL5FACGS0002	Guaijaverin	C20H18O11	434.08491	22255-13-6	knapsack	NA	NA
+FL5FACGS0003	Quercetin 3-beta-L-arabinopyranoside	C20H18O11	434.08491	94131-44-9	knapsack	NA	NA
+FL5FACGS0004	Reynoutrin	C20H18O11	434.08491	6743-88-0	knapsack	NA	NA
+FL5FACGS0012	Quercetin 7-xyloside	C20H18O11	434.08491	82178-32-3	knapsack	NA	NA
+FL5FACGS0017	Quercetin 3'-xyloside	C20H18O11	434.08491	60534-67-0	knapsack	NA	NA
+FL5FACGS0061	Quercetin 3-O-alpha-D-arabinopyranoside;3-(alpha-D-Arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C20H18O11	434.08491	201610-60-8	knapsack	NA	NA
+FL5FFAGS0001	Herbacetin 7-beta-L-arabinopyranoside	C20H18O11	434.08491	74355-99-0	knapsack	NA	NA
+FL5FFAGS0004	Herbacetin 8-alpha-L-arabinopyranoside	C20H18O11	434.08491	58902-10-6	knapsack	NA	NA
+FL5FFAGS0005	Herbacetin 8-xyloside	C20H18O11	434.08491	54676-60-7	knapsack	NA	NA
+MJ062381	2',4',5,5',7-Pentahydroxyflavone; 2'-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062382	2',4',5,5',7-Pentahydroxyflavone; 7-O-Arabinoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062383	3',4',5,5',7-Pentahydroxyflavone; 3'-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062384	3',4',5,6,7-Pentahydroxyflavone; 6-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062385	3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062386	3',4',5,6,7-Pentahydroxyflavone; 7-O-D-Apioside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062387	3',4',5,6,7-Pentahydroxyflavone; 7-O-L-Arabinopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062388	3',4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062389	3,3',4',5,7-Pentahydroxyflavone; 3'-O-?-L-Arabinofuranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062390	3,3',4',5,7-Pentahydroxyflavone; 3'-O-Xyloside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062391	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Arabinofuranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062392	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-L-Arabinofuranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062393	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-L-Arabinopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062394	3,3',4',5,7-Pentahydroxyflavone; 3-O-Arabinopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062395	3,3',4',5,7-Pentahydroxyflavone; 3-O-Xyloside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062396	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-L-Arabinopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062397	3,3',4',5,7-Pentahydroxyflavone; 7-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062398	3,3',4',5,7-Pentahydroxyflavone; 7-O-Arabinoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062399	3,4',5,7,8-Pentahydroxyflavone; 7-O-?-L-Arabinopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062400	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Arabinofuranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062401	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Xylopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062402	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Lyxopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062403	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-L-Arabinopyranoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062404	Avicularin 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062405	Fukiic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl) 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062406	Quercetin 3-arabinoside 	C20H18O11	434.084911	NA	MeJP	NA	NA
+MJ062407	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-Arabinoside 	C20H19O11(+)	434.084911	NA	MeJP	NA	NA
+C09359	Chlorohyssopifolin A	C19H24Cl2O7	434.0899	NA	KEGG	NA	NA
+MJ062408	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(3-Chloro-2-hydroxy-2-methylpropanoyl)(2R-) 	C19H24Cl2O7	434.089908	NA	MeJP	NA	NA
+MJ062409	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(3-Chloro-2-hydroxy-2-methylpropanoyl)(2S-) 	C19H24Cl2O7	434.089908	NA	MeJP	NA	NA
+C05820	(L-Seryl)adenylate	C13H19N6O9P	434.0951	NA	KEGG	NA	NA
+MetaCyc03551	L-Seryl-AMP [L-seryl-adenylate;]	C13H19N6O9P1	434.095113	NA	metacyc	NA	NA
+FL3FACNN0001	Sinaticin	C24H18O8	434.10016	-	knapsack	NA	NA
+MJ062410	2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2-O-(4S,5S-Epoxy-2Z-hexenoyl) 	C24H18O8	434.100167	NA	MeJP	NA	NA
+MJ062411	3,3'-Bi[6-hydroxy-5-methoxy-2-methylnaphthoquinone] 	C24H18O8	434.100167	NA	MeJP	NA	NA
+MJ062412	Hydnocarpin; 3''-Demethoxy 	C24H18O8	434.100167	NA	MeJP	NA	NA
+MJ062413	Knipholone 	C24H18O8	434.100167	NA	MeJP	NA	NA
+MJ062414	Spiromentin B 	C24H18O8	434.100167	NA	MeJP	NA	NA
+MJ062415	Spiromentin C 	C24H18O8	434.100167	NA	MeJP	NA	NA
+C10365	Knipholone	C24H18O8	434.1002	NA	KEGG	NA	NA
+C11601	LDS-751	C21H23N2S	434.1067	NA	KEGG	NA	NA
+MJ062416	3-Chloro-8,9-dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 9-Deoxy, 8-O-(2-Acetoxymethyl-2E-butenoyl) 	C22H23ClO7	434.11323	NA	MeJP	NA	NA
+MJ062417	Falconensin A; 3''-Dechloro, 4''-O-de-Me 	C22H23ClO7	434.11323	NA	MeJP	NA	NA
+MJ062418	Vibrioferrin 	C16H22N2O12	434.117274	NA	MeJP	NA	NA
+MJ062419	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Chloral hemiacetal 	C21H29Cl3O3	434.118227	NA	MeJP	NA	NA
+MJ062420	Phenamet 	C19H28Cl2N2O3S	434.119768	NA	MeJP	NA	NA
+FL1C1AGS0007	Monospermoside	C21H22O10	434.12129	-	knapsack	NA	NA
+FL1C1CGS0001	Coreopsin	C21H22O10	434.12129	499-29-6	knapsack	NA	NA
+FL1CAAGS0001	Chalconaringenin 4-glucoside	C21H22O10	434.12129	68116-40-5	knapsack	NA	NA
+FL1CAAGS0004	Isosalipurposide	C21H22O10	434.12129	4547-85-7	knapsack	NA	NA
+FL1CAAGS0005	Chalconaringenin 4'-glucoside	C21H22O10	434.12129	25218-09-1	knapsack	NA	NA
+FL1CHYGS0001	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside	C21H22O10	434.12129	73519-15-0	knapsack	NA	NA
+FL1CHYGS0002	2',4',6',beta-Tetrahydroxychalcone 4'-glucoside	C21H22O10	434.12129	50634-04-3	knapsack	NA	NA
+FL2F1CCS0001	Palodulcin B	C21H22O10	434.12129	-	knapsack	NA	NA
+FL2F1CGS0002	Isomonospermoside	C21H22O10	434.12129	30382-20-8	knapsack	NA	NA
+FL2F1CGS0003	Isocoreopsin	C21H22O10	434.12129	30382-18-4	knapsack	NA	NA
+FL2F3CGS0002	Isookaninrhamnoside	C21H22O10	434.12129	96658-02-5	knapsack	NA	NA
+FL2FA8GS0003	5,7,2'-Trihydroxyflavanone 7-glucoside	C21H22O10	434.12129	27960-47-0	knapsack	NA	NA
+FL2FAACS0001	Hemiphloin;6-C-Glucosylnaringenin;(S)-6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone; (2S)-6-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H22O10	434.12129	09/03/3682	knapsack	NA	NA
+FL2FAACS0002	Isohemiphloin;(S)-8-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone;(2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H22O10	434.12129	08/02/3682	knapsack	NA	NA
+FL2FAAGS0003	Prunin	C21H22O10	434.12129	529-55-5	knapsack	NA	NA
+FL2FAAGS0004	Floribundoside	C21H22O10	434.12129	529-41-9	knapsack	NA	NA
+FL2FAAGS0008	Naringenin 4'-O-glucoside	C21H22O10	434.12129	81202-36-0	knapsack	NA	NA
+FL2FAAGS0009	Naringenin 4'-O-galactoside	C21H22O10	434.12129	72539-34-5	knapsack	NA	NA
+FL2FACGS0002	Eriodictyol 5-O-rhamnoside	C21H22O10	434.12129	71481-42-0	knapsack	NA	NA
+FL2FACGS0005	Eriodictin	C21H22O10	434.12129	480-35-3	knapsack	NA	NA
+FL2FE9GS0003	(2S)-5,6,7-Trihydroxyflavanone 7-glucoside	C21H22O10	434.12129	151363-18-7	knapsack	NA	NA
+FL2FFAGS0001	Isocarthamidin 7-O-rhamnoside	C21H22O10	434.12129	152367-40-3	knapsack	NA	NA
+FL3FGLNS0006	Agehoustin D	C21H22O10	434.12129	97564-58-4	knapsack	NA	NA
+FL4D1AGS0001	Lecontin	C21H22O10	434.12129	19146-28-2	knapsack	NA	NA
+FL4D1CGS0002	Fustin 7-rhamnoside	C21H22O10	434.12129	114728-43-7	knapsack	NA	NA
+FL4DAAGS0004	Engeletin	C21H22O10	434.12129	572-31-6	knapsack	NA	NA
+FL4DAAGS0005	Isoengeletin	C21H22O10	434.12129	30987-58-7	knapsack	NA	NA
+FL4DAAGS0007	Aromadendrin 7-rhamnoside	C21H22O10	434.12129	69135-41-7	knapsack	NA	NA
+FL5FGGNS0009	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone	C21H22O10	434.12129	78516-76-4	knapsack	NA	NA
+FL5FGGNS0010	Digicitrin	C21H22O10	434.12129	01/10/5065	knapsack	NA	NA
+FL5FGGNS0011	5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone;5,7-Dihydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C21H22O10	434.12129	96887-18-2	knapsack	NA	NA
+FL5FGLNS0011	5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone;5-Hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one	C21H22O10	434.12129	100363-96-0	knapsack	NA	NA
+FL5FGLNS0012	5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone	C21H22O10	434.12129	113744-04-0	knapsack	NA	NA
+MJ062421	1-Phenyl-3-(2,4,6-trihydroxyphenyl)-1,3-propanedione, 4'-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062422	10-Hydroxyaloin 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062423	2',3',4',5,5',6,7,8-Octahydroxyflavone; 2',4',5',6,7,8-Hexa-Me ether 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062424	2',3,4',5,5',6,7,8-Octahydroxyflavone; 2',3,4',5',6,8-Hexa-Me ether 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062425	2',3,4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,7,8-Hexa-Me ether 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062426	2',3,4,4'-Tetrahydroxychalcone; 3-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062427	2',3,4,4'-Tetrahydroxychalcone; 4-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062428	2',4,4',6'-Tetrahydroxychalcone; 2'-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062429	2',4,4',6'-Tetrahydroxychalcone; 4'-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062430	2',4,4',6'-Tetrahydroxychalcone; 4-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062431	2',5,7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062432	3',4',5,7-Tetrahydroxyflavanone, 5-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062433	3',4',5,7-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062434	3',4',7,8-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062435	3',4',7-Trihydroxyflavanone, 3'-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062436	3',4',7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062437	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',5',6,8-Hexa-Me ether 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062438	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5',6,7,8-Hexa-Me ether 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062439	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5,6,7,8-Hexa-Me ether 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062440	3,3',4',7-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062441	3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062442	3,4',5,7-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062443	3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062444	3,4',7-Trihydroxyflavanone, 3-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062445	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062446	4',5,7,8-Tetrahydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062447	4',5,7-Trihydroxyflavanone, 5-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062448	4',5,7-Trihydroxyflavanone, 4'-O-?-D-Galactopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062449	4',5,7-Trihydroxyflavanone, 4'-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062450	4',5,7-Trihydroxyflavanone, 5-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062451	4',5,7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062452	4',5,7-Trihydroxyflavanone, O-Fructoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062453	5,6,7-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062454	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-?-D-glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062455	5,7,8-Trihydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062456	8-Glucopyranosyl-4',5,7-trihydroxyflavanone 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062457	Aloin, 7-Hydroxy 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062458	Aloin, 5-Hydroxy 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062459	Aloin, 7-Hydroxy 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062460	Arbutin; 2-O-(3,4-Dihydroxy-E-cinnamoyl) 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062461	Arbutin; 4-O-(3,4-Dihydroxy-E-cinnamoyl) 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062462	Fluoraphin 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062463	Hemiphloin 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MJ062464	Phyllodulcin, O-De-Me, 3'-O-?-D-glucopyranoside 	C21H22O10	434.121296	NA	MeJP	NA	NA
+MetaCyc03552	butein 4'-glucoside [coreopsin;]	C21H22O10	434.121297	NA	metacyc	NA	NA
+MetaCyc03553	prunin [naringenin 7-O-&beta;-D-glucoside;]	C21H22O10	434.121297	NA	metacyc	NA	NA
+C09099	Naringenin 7-O-beta-D-glucoside	C21H22O10	434.1213	NA	KEGG	NA	NA
+C16406	Phlorizin chalcone	C21H22O10	434.1213	NA	KEGG	NA	NA
+C16407	2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside	C21H22O10	434.1213	NA	KEGG	NA	NA
+C16492	8-C-Glucosylnaringenin	C21H22O10	434.1213	NA	KEGG	NA	NA
+PJ001385	GDDE 	C15H22N4O11	434.1285	NA	PeJP	NA	NA
+MJ062465	Cortinarius C16H26N4O6S2 Disulfide 	C16H26N4O6S2	434.129375	NA	MeJP	NA	NA
+FL3FALNR0009	Artobiloxanthone;8,9-Dihydro-6,10,11,13-tetrahydroxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one	C25H22O7	434.13655	121748-25-2	knapsack	NA	NA
+FL3FRNND0001	Cycloartobiloxanthone;5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one	C25H22O7	434.13655	121748-26-3	knapsack	NA	NA
+FL5FCBNC0001	Haplopappin A	C25H22O7	434.13655	99631-88-6	knapsack	NA	NA
+FL5FDBNC0001	Haplopappin	C25H22O7	434.13655	99631-87-5	knapsack	NA	NA
+MJ062466	3,4',5,7-Tetrahydroxy-8-[1-(4-hydroxyphenyl)ethyl]flavone, 3,4'-Di-Me ether 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062467	3,4',5,7-Tetrahydroxy-8-[1-(4-hydroxyphenyl)ethyl]flavone, 4',7-Di-Me ether 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062468	Artobiloxanthone 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062469	Cudraflavone A; 5'-Hydroxy 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062470	Cycloartobiloxanthone 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062471	Dihydrofuranoartobilochromene a 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062472	Dihydrofuranoartobilochromene b1 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062473	Euchretin G 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062474	Euchretin H 	C25H22O7	434.136553	NA	MeJP	NA	NA
+MJ062475	Antibiotic BLP 1654 	C18H22N6O5S	434.137238	NA	MeJP	NA	NA
+MJ062476	1,2,4-Benzenetriol; 2-Me ether, 4-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C18H26O12	434.142426	NA	MeJP	NA	NA
+MJ062477	1,2-Benzenediol; Di-O-?-D-glucopyranoside 	C18H26O12	434.142426	NA	MeJP	NA	NA
+MJ062478	10-Hydroxyoleoside, Di-Me ester 	C18H26O12	434.142426	NA	MeJP	NA	NA
+MJ062479	Iditol, Hexa-Ac 	C18H26O12	434.142426	NA	MeJP	NA	NA
+PJ001386	DDW 	C19H22N4O8	434.1438	NA	PeJP	NA	NA
+MJ062480	18-Bromo-8,17,19-tricosatriene-4,6-diynoic acid, 16?-Hydroxy 	C23H31BrO3	434.145657	NA	MeJP	NA	NA
+PJ001387	SPCE 	C16H26N4O8S	434.1472	NA	PeJP	NA	NA
+MJ062481	5,6-Dihydroxy-7-protoilluden-14-al, 5-(3-Chloro-4,6-dihydroxy-2-methylbenzoyl) 	C23H27ClO6	434.149616	NA	MeJP	NA	NA
+MJ062482	Chaetoviridin C 	C23H27ClO6	434.149616	NA	MeJP	NA	NA
+FL1AUNGS0001	Neoraufuracin	C22H26O9	434.15768	82358-46-1	knapsack	NA	NA
+FL1CELNS0001	6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone	C22H26O9	434.15768	93827-68-0	knapsack	NA	NA
+FL1CHYNS0006	beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone	C22H26O9	434.15768	112470-94-7	knapsack	NA	NA
+FL1D1AGS0003	4'-O-Methyldavidioside	C22H26O9	434.15768	65428-05-9	knapsack	NA	NA
+FL2FELNS0001	5,6,7,2',3',4',5'-Heptamethoxyflavanone	C22H26O9	434.15768	105801-22-7	knapsack	NA	NA
+FL2FGGNS0002	5,6,7,8,3',4',5'-Heptamethoxyflavanone	C22H26O9	434.15768	119153-16-1	knapsack	NA	NA
+MJ062483	1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062484	1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-(2-Acetoxymethyl-2Z-butenoyl) 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062485	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062486	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062487	1,2:3,4-Diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide, 8-(3-Acetoxy-2-methyl-2E-butenoyl) 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062488	1,5,8,9-Tetrahydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062489	1-(2,3,4,5-Tetrahydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)-1,3-propanedione; Hepta-Me ether 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062490	1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone; 4'-Me ether, 2'-O-?-D-glucopyranoside 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062491	10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062492	2',3',4',5,5',6,7-Heptahydroxyflavanone, Hepta-Me ether 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062493	2',7-Dihydroxy-4'-methoxyisoflavan, 7-O-?-D-Glucopyranoside 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062494	2,2',3,3',4,4',5,6'-Octahydroxychalcone; 2,2',3,3',4,4',5-Hepta-Me ether 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062495	2,3-Epoxy-4,8,13,14-tetrahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062496	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 13-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062497	3',4',5,5',6,7,8-Heptahydroxyflavanone, Hepta-Me ether 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062498	3,4-Epoxy-2,5,8,9-tetrahydroxy-1(10),11(13)-guaiadien-12,6-olide, 9-Angeloyl, 2-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062499	3,4:10,14-Diepoxy-2,5,8-trihydroxy-11(13)-guaien-12,6-olide, 8-Angeloyl, 2-Ac 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062500	3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-O-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062501	3,6-Dihydroxy-2-[2-(4-hydroxyphenyl)ethyl]acetophenone; 6-O-?-D-Glucopyranoside 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062502	4,4',7-Trihydroxyflavan, 4-Me ether, 7-O-?-D-glucopyranoside 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062503	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2-Methylpropenoyl), 9-Ac, Me ester 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062504	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropenoyl), 9-Ac, Me ester 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062505	8-Hydroxy-3,11(13)-guaiadiene-12,6:14,2-diolide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl) (2S,3S-) 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062506	8-Hydroxysyringaresinol 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062507	?,?-Diepoxypseudopterolide methanol adduct 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062508	Ciwujiatone 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062509	Daldinin C 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062510	Exfoliamycin 	C22H26O9	434.157682	NA	MeJP	NA	NA
+MJ062511	Nimbochalcin 	C22H26O9	434.157682	NA	MeJP	NA	NA
+C09401	Eleganin	C22H26O9	434.1577	NA	KEGG	NA	NA
+C09469	Graminiliatrin	C22H26O9	434.1577	NA	KEGG	NA	NA
+PJ001388	GNNM 	C15H26N6O7S	434.1584	NA	PeJP	NA	NA
+MJ062512	Glisolamide 	C20H26N4O5S	434.16239	NA	MeJP	NA	NA
+MJ062513	Niperotidine 	C20H26N4O5S	434.16239	NA	MeJP	NA	NA
+MJ062514	Bismurrayafoline A; 3-Aldehyde 	C28H22N2O3	434.163042	NA	MeJP	NA	NA
+MJ062515	Flupentixol 	C23H25F3N2OS	434.163968	NA	MeJP	NA	NA
+C11191	cis-(Z)-Flupenthixol	C23H25F3N2OS	434.164	NA	KEGG	NA	NA
+C11192	Transferred to D02383	C23H25F3N2OS	434.164	NA	KEGG	NA	NA
+PJ001389	GTEE 	C16H26N4O10	434.1649	NA	PeJP	NA	NA
+PJ001390	GPMM 	C17H30N4O5S2	434.1658	NA	PeJP	NA	NA
+FL3FALNR0003	Cycloartocarpin;isoartocarpin	C26H26O6	434.17293	04/09/5912	knapsack	NA	NA
+FL3FALNR0006	Cycloartocarpin A	C26H26O6	434.17293	156127-37-6	knapsack	NA	NA
+FL5F1CNP0003	Macaflavone II	C26H26O6	434.17293	102822-11-7	knapsack	NA	NA
+FLIA1LNP0006	Mundulone	C26H26O6	434.17293	481-94-7	knapsack	NA	NA
+FLIAALNP0009	Auriculin;Auriculatin 4'-methyl ether	C26H26O6	434.17293	30431-68-6	knapsack	NA	NA
+FLIHBANP0001	Scandenin	C26H26O6	434.17293	5084-00-4	knapsack	NA	NA
+FLIHBANP0002	Lonchocarpic acid;Chandanin	C26H26O6	434.17293	5490-47-1	knapsack	NA	NA
+MJ062516	7-Acetyl-1-(3-acetyl-4-hydroxybenzoyl)-1,2,3,4-tetrahydro-4-hydroxy-2,2,4-trimethyldibenzofuran 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062517	Auriculatin; 4'-Me ether 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062518	Bulgarialactone A; 3,4-Didehydro 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062519	Cycloartocarpin 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062520	Flemiphilippinin C 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062521	Iryantherin A 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062522	Lonchocarpic acid 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062523	Macaflavone I; 3-Me ether 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062524	Mundulone 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062525	Parvisoflavone B; 2'-Me ether, 4'-O-(3-methyl-2-butenyl) 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062526	Rocaglatic acid; Decarboxy 	C26H26O6	434.172938	NA	MeJP	NA	NA
+MJ062527	Scandenin 	C26H26O6	434.172938	NA	MeJP	NA	NA
+PJ001391	SSNQ 	C15H26N6O9	434.1761	NA	PeJP	NA	NA
+PJ001392	GGGGST 	C15H26N6O9	434.1762	NA	PeJP	NA	NA
+MJ062528	Antibiotic L 654040 	C20H26N4O7	434.180149	NA	MeJP	NA	NA
+PJ001393	TEW 	C20H26N4O7	434.1802	NA	PeJP	NA	NA
+PJ001394	GVEM 	C17H30N4O7S	434.1835	NA	PeJP	NA	NA
+MJ062529	Antibiotic RP 1551-2 	C24H31ClO5	434.186001	NA	MeJP	NA	NA
+MJ062530	1,10:4,5:8,12-Triepoxy-6,9-dihydroxy-7,11-germacradien-15-oic acid, 9-Ac, cyclohexyl ester 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062531	1,5,6,7-Tetrahydroxy-17-vouacapanoic acid, 1-Ketone, 6-Ac, Me ester 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062532	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(2-Methylpropenoyl), 1,6-di-Ac 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062533	2,4,8,13-Tetrahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-(2-Methylpropenoyl), O13-Et, 2-Ac 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062534	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,4-Methylene,3',4',5,5'-tetra-Me ether 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062535	3,6-Epoxy-3,8-dihydroxy-10-oxo-4,6,12,15-cembratetraene-18,20-dioic acid, 3-Me ether, di-Me ester 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062536	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethylpropenoyl), 8-(2-methylpropanoyl) 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062537	7-Protoilludene-1,5,6,9,14-pentol, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062538	8,9-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 9-(2-hydroxy-2-methylpropanoyl) 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062539	Cluytene E 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062540	Gracilin B; 12-Deacetyl, 12-propanoyl 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062541	Ligulaverin C; 4'-Hydroxy, 19-de-Ac 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062542	Mandapamate 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062543	Myristicanol A 	C23H30O8	434.194067	NA	MeJP	NA	NA
+MJ062544	Sakuraresinol; 3'-Demethoxy 	C23H30O8	434.194067	NA	MeJP	NA	NA
+PJ001395	EMR 	C16H30N6O6S	434.1948	NA	PeJP	NA	NA
+PJ001396	VMW 	C21H30N4O4S	434.1988	NA	PeJP	NA	NA
+PJ001397	SSLE 	C17H30N4O9	434.2013	NA	PeJP	NA	NA
+PJ001398	AAHH 	C18H26N8O5	434.2026	NA	PeJP	NA	NA
+3199	chymotrypsin inhibitor	PGVY	434.204	celiac toxic	Inhouse_peptide	NA	peptide
+MJ062545	11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(4-Hydroxybenzoyl) 	C27H30O5	434.209324	NA	MeJP	NA	NA
+MJ062546	2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 2-(4-Hydroxybenzoyl) 	C27H30O5	434.209324	NA	MeJP	NA	NA
+MJ062547	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 5-Deoxy, 3',4'-di-Me ether 	C27H30O5	434.209324	NA	MeJP	NA	NA
+MJ062548	Achlisocoumarin II; 1',2'-Dihydro 	C27H30O5	434.209324	NA	MeJP	NA	NA
+MJ062549	Betamethasone; 21-Ac 	C24H31FO6	434.210466	NA	MeJP	NA	NA
+MJ062550	Dexamethasone; 21-Ac 	C24H31FO6	434.210466	NA	MeJP	NA	NA
+MJ062551	Flunisolide 	C24H31FO6	434.210466	NA	MeJP	NA	NA
+MJ062552	Fluperolone; 21-Ac 	C24H31FO6	434.210466	NA	MeJP	NA	NA
+MJ062553	Paramethasone; 21-Ac 	C24H31FO6	434.210466	NA	MeJP	NA	NA
+MJ062554	Triamcinolone; 16,17-Acetone ketal 	C24H31FO6	434.210466	NA	MeJP	NA	NA
+C07005	Flunisolide	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C08174	Dexamethasone acetate anhydrous	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C08175	Transferred to D00975	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C08183	Triamcinolone acetonide	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C12656	Paramethasone acetate	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C12657	Transferred to D01230	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C12658	Transferred to D01231	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C12659	Transferred to D01232	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C12660	Transferred to D01233	C24H31FO6	434.2105	NA	KEGG	NA	NA
+C14625	9alpha-Fluoro-6alpha-methylprednisolone 21-acetate	C24H31FO6	434.2105	NA	KEGG	NA	NA
+MJ062555	Chlorbenzoxamine 	C27H31ClN2O	434.212491	NA	MeJP	NA	NA
+PJ001399	SSNK 	C16H30N6O8	434.2125	NA	PeJP	NA	NA
+MJ062556	Sclerothricin 	C16H30N6O8	434.212511	NA	MeJP	NA	NA
+3535	ACE inhibitor	YPR	434.216	ACE inhibitor	Inhouse_peptide	NA	peptide
+3536	ACE inhibitor	PRY	434.216	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001400	GPVY 	C21H30N4O6	434.2166	NA	PeJP	NA	NA
+PJ001401	ATLM 	C18H34N4O6S	434.2199	NA	PeJP	NA	NA
+3627	NA	FRAEHPL	434.221	MH2+	Inhouse_peptide	NA	peptide
+3568	NA	QSEPKAIP	434.2255	MH2+	Inhouse_peptide	NA	peptide
+PJ001402	PRY 	C20H30N6O5	434.2278	NA	PeJP	NA	NA
+MJ062557	1,2,5,14-Vouacapanetetrol, 1,2-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062558	15,17-Epoxy-6,17-dihydroxy-16-spongianone, Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062559	16-Kaurene-1,3,6,11,15-pentol, 15-Ketone, 1,11-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062560	16-Kaurene-1,3,6,11,15-pentol, 6-Ketone, 1,3-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062561	16-Kaurene-1,3,6,11,15-pentol, 15-Ketone, 1,3-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062562	16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, 3,6-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062563	16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, 3,7-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062564	16-Kaurene-3,6,7,11,15-pentol, 6-Ketone, 7,11-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062565	2,3,11,13-Tetrahydroxy-16-kauren-15-one, 2,3-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062566	2,3,19-Trihydroxy-7-labden-15-oic acid, 13E,14-Didehydro, 19-aldehyde, di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062567	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 2,3-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062568	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 3,6-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062569	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 3,11-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062570	2,3,7,14-Tetrahydroxy-16-kauren-15-one, 2,3-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062571	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 9,10-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062572	2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 6,19-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062573	2,9,10,20-Tetrahydroxy-4,11-taxadien-13-one, 9,10-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062574	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 6-Ketone, 4,11-di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062575	3,4-Epoxy-6,13-dihydroxy-14-cleroden-20,12-olide, Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062576	3,4-Epoxy-7,13-dihydroxy-8(19),15(17)-cembradien-16,14-olide, Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062577	3,4-Epoxy-8,13-dihydroxy-6,15(17)-cembradien-16,14-olide, Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062578	3,5,11,14,19-Pentahydroxybufa-20,22-dienolide 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062579	4,18-Epoxy-6,19-dihydroxy-13-cleroden-16,15-olide, 6,19-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062580	4,18:11,16:15,16-Triepoxy-14-clerodene-6,19-diol, Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062581	4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19-triol, 6,19-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062582	6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7-Et ether, 16-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062583	7,11,13,19-Tetrahydroxy-16-kauren-15-one, 11,19-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062584	7,11,14-Trihydroxy-12-spongien-16-one, 7,11-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062585	7,11-Dihydroxy-16-oxo-17-spongianal, Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062586	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1,6-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062587	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 6,15-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062588	7,20-Epoxy-16-kaurene-6,7,14,15-tetrol, 6,15-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062589	9,11-Epoxy-1,2,6-trihydroxy-15-kauranone, 1,2-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062590	9,13:15,16-Diepoxy-8,19-dihydroxy-14-labden-7-one, 8,19-Di-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062591	Alcyonolide 3 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062592	Cadlinolide B; 12-Acetoxy, 16-Ac(16?-) 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062593	Dendrillolide A; 12?-Acetoxy 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062594	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-O-?-D-Glucopyranoside 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062595	Karatavicinol; 6',7'-Dihydro, 6',7-dihydroxy 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062596	Nigakilactone A; 12-Me ether, 11-Ac 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062597	Norrlandin 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062598	Shahamin F; 12?-Acetoxy 	C24H34O7	434.230453	NA	MeJP	NA	NA
+MJ062599	Thuridillin C 	C24H34O7	434.230453	NA	MeJP	NA	NA
+C03019	Phorbol 13-butanoate	C24H34O7	434.2305	NA	KEGG	NA	NA
+C03021	Protein asparagine	C5H7N3O3R2	434.2305	NA	KEGG	NA	NA
+C03022	Protein L-citrulline	C7H12N4O3R2	434.2305	NA	KEGG	NA	NA
+C03023	Peptide-L-methionine	C6H10N2O2SR2	434.2305	NA	KEGG	NA	NA
+C03024	Reduced flavoprotein	C6H10N2O2SR2	434.2305	NA	KEGG	NA	NA
+C03025	Reduced plastocyanin	C6H10N2O2SR2	434.2305	NA	KEGG	NA	NA
+C09058	Ajugarin I	C24H34O7	434.2305	NA	KEGG	NA	NA
+C09075	Clerodin	C24H34O7	434.2305	NA	KEGG	NA	NA
+C17029	Nigakilactone C	C24H34O7	434.2305	NA	KEGG	NA	NA
+C05730	Glutathionylspermidine	C17H34N6O5S	434.2311	NA	KEGG	NA	NA
+MJ062600	Glutathionylspermidine 	C17H34N6O5S	434.231138	NA	MeJP	NA	NA
+MetaCyc03554	glutathionylspermidine [N1-(&gamma;-L-glutamyl-L-cysteinyl-glycyl)-spermidine;]	C17H34N6O5S1	434.231139	08/06/7783	metacyc	NA	NA
+PJ001403	GCKK 	C17H34N6O5S	434.2312	NA	PeJP	NA	NA
+MJ062601	Bis(3-oxoundecyl) trisulfide 	C22H42O2S3	434.234692	NA	MeJP	NA	NA
+PJ001404	TTTL 	C18H34N4O8	434.2377	NA	PeJP	NA	NA
+C03630	Oleoylglycerone phosphate	C21H39O7P	434.2433	NA	KEGG	NA	NA
+C03631	Oleoylphosphatidylcholine	C27H51NO8PR	434.2433	NA	KEGG	NA	NA
+C03632	Oligosaccharide phosphate	C16H28N2O14PR	434.2433	NA	KEGG	NA	NA
+C03633	Peptidylproline (omega=0)	C6H8N2O2R2	434.2433	NA	KEGG	NA	NA
+HMDB07852	LPA(0:0/18:2(9Z,12Z))	C21H39O7P	434.243347	NA	HMDB2010	NA	NA
+HMDB07856	LPA(18:2(9Z,12Z)/0:0)	C21H39O7P	434.243347	NA	HMDB2010	NA	NA
+MJ062602	Lincomycin; N,S-Di-de-Me, N,S-di-Et 	C20H38N2O6S	434.245057	NA	MeJP	NA	NA
+MJ062603	2,3-Dihydro-5,7-dihydroxy-2-(4,7,10,13,16-nonadecapentaenylidene)-4H-1-benzopyran-4-one 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062604	23-Oxoisotingenone 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062605	5,7-Dihydroxy-2-(4,7,10,13,16-nonadecapentaenyl)-4H-1-benzopyran-4-one 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062606	Balaenol; 22-Oxo 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062607	Crinatusins; Crinatusin A1 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062608	Crinatusins; Crinatusin A2 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062609	Grandone 	C28H34O4	434.245709	NA	MeJP	NA	NA
+MJ062610	Usambarensine; 19,20?-Dihydro 	C29H30N4	434.247046	NA	MeJP	NA	NA
+MJ062611	Usambarensine; 3',4'-Dihydro 	C29H30N4	434.247046	NA	MeJP	NA	NA
+MJ062612	Fortimicin B; O-De-Me, 2'-N-(N-carbamoylglycyl) 	C17H34N6O7	434.248897	NA	MeJP	NA	NA
+MJ062613	Fortimicin C 	C17H34N6O7	434.248897	NA	MeJP	NA	NA
+MJ062614	1,4,6,11-Eudesmanetetrol, 6-O-?-D-Glucopyranoside 	C21H38O9	434.251582	NA	MeJP	NA	NA
+PJ001405	GVLF 	C22H34N4O5	434.2529	NA	PeJP	NA	NA
+PJ001406	LFR 	C21H34N6O4	434.2642	NA	PeJP	NA	NA
+MJ062615	1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Dihydro, 10,11-dihydroxy, 9,10-diangeloyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062616	1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Dihydro, 10,11-dihydroxy, 9,10-ditigloyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062617	1,4,6,10-Farnesatetraene-3,9-diol; 10,11-Dihydro, 10,11-dihydroxy, 9-angeloyl, 10-tigloyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062618	11,12-Epoxy-7-drimene-2,3,11-triol, 2-Angeloyl, 3-(2-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062619	12,16,17-Trihydroxy-19-kauranoic acid, 17-Angeloyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062620	15-Hydroxy-16-kauren-19-oic acid, 2,3-Dihydroxy-2-methylbutanoyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062621	3-Hydroxy-7-oxo-13(15)-cassen-16-oic acid, 3-O-(2-Hydroxy-2-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062622	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-Propanoyl, 2-Ac 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062623	7,13-Thyrsifloranediol, 13-Malonyl, 7-Ac 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062624	7,17-Dihydroxy-15,16-isocopalanedioic acid; 7?-form, 15?17-Lactone, 7-butanoyl, Me ester 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062625	8,9,10-Trihydroxy-5-longipinanone, 8-Angeloyl, 9-(3-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062626	8,9,10-Trihydroxy-5-longipinanone, 10-Angeloyl, 9-(2-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062627	8-Daucene-2,4,6,10-tetrol, 2,6-Diangeloyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062628	8-Daucene-2,4,6,10-tetrol, 6,10-Diangeloyl 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062629	9,15-Dihydroxy-16-kauren-19-oic acid, 15-(3-Hydroxy-2-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062630	Antibiotic CJ 14258 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062631	Clibadic acid 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062632	Colupdol 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062633	Erinacine C 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062634	Fukinolidiol; 1,9-Bis(3-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062635	Fukinolidiol; 1-(2-Methylbutanoyl), 9-(3-methylbutanoyl) 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062636	Murrayanolide 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062637	O-Demethylstriatin C; 10,29-DIdeoxy, 11,12?-dihydro 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062638	Rasfonin 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062639	Secopseudopterosin A 	C25H38O6	434.266838	NA	MeJP	NA	NA
+MJ062640	Antibiotic SU; Antibiotic SU4 	C19H38N4O7	434.274049	NA	MeJP	NA	NA
+MJ062641	Alfileramine; Na,Nb-Di-de-Me 	C28H38N2O2	434.293328	NA	MeJP	NA	NA
+MJ062642	Butoprozine 	C28H38N2O2	434.293328	NA	MeJP	NA	NA
+MJ062643	Isoalfileramine; Na,Nb-Di-de-Me 	C28H38N2O2	434.293328	NA	MeJP	NA	NA
+MJ062644	22-Chlorocholesta-8,14-diene-3,23-diol 	C27H43ClO2	434.295158	NA	MeJP	NA	NA
+MJ062645	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, Me ester 	C26H42O5	434.303224	NA	MeJP	NA	NA
+MJ062646	Stolonic acid A 	C26H42O5	434.303224	NA	MeJP	NA	NA
+MJ062647	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 12,13-Dihydro(Z-) 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062648	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 4,5-Dihydro 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062649	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 12,13-Dihydro(Z-) 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062650	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 4,5-Dihydro 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062651	8,8'-Bis(7-hydroxycalamenene) 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062652	?-Citraurol 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062653	Bicalamenene 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062654	Citrullonol 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062655	Myltalorione A 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062656	Plagiospirolide E 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062657	?-Citraurinol 	C30H42O2	434.31848	NA	MeJP	NA	NA
+MJ062658	2-Hexaprenyl-6-hydroxyphenol 	C30H42O2	434.31848	NA	MeJP	NA	NA
+HMDB00359	3a,7a-Dihydroxycoprostanic acid	C27H46O4	434.3396	http://www.hmdb.ca/metabolites/HMDB00359	HMDB	NA	NA
+HMDB03533	3a,7a,12a-Trihydroxy-5b-cholestan-26-al	C27H46O4	434.3396	http://www.hmdb.ca/metabolites/HMDB03533	HMDB	NA	NA
+HMDB06263	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	C27H46O4	434.3396	http://www.hmdb.ca/metabolites/HMDB06263	HMDB	NA	NA
+C01301	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	C27H46O4	434.3396	NA	KEGG	NA	NA
+C04554	3alpha,7alpha-Dihydroxy-5beta-cholestanate	C27H46O4	434.3396	NA	KEGG	NA	NA
+HMDB00359	3a,7a-Dihydroxycoprostanic acid	C27H46O4	434.3396	HMDB00359	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03533	3a,7a,12a-Trihydroxy-5b-cholestan-26-al	C27H46O4	434.3396	HMDB03533	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06263	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	C27H46O4	434.3396	HMDB06263	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00359	3a,7a-Dihydroxycoprostanic acid	C27H46O4	434.3396	NA	HMDB2010	NA	NA
+HMDB03533	3a,7a,12a-Trihydroxy-5b-cholestan-26-al	C27H46O4	434.3396	NA	HMDB2010	NA	NA
+MJ062659	24,26-Epoxycholestane-3,7,12-triol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062660	26,27-Epoxycholestane-3,7,12-triol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062661	3,7-Dihydroxycholestan-26-oic acid 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062662	3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Octadecanoyl 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062663	9,10-Secocholesta-5,7-diene-3,23,25,26-tetrol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062664	Cholest-5-ene-2,3,16,18-tetrol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062665	Cholest-5-ene-3,14,16,22-tetrol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062666	Cholest-5-ene-3,7,15,18-tetrol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062667	Cholest-5-ene-3,7,9,19-tetrol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062668	Cholest-7-ene-3,5,6,9-tetrol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062669	Furostane-1,3,26-triol 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062670	Xestin A 	C27H46O4	434.339609	NA	MeJP	NA	NA
+MJ062671	3alpha,7alpha-Dihydroxy-5beta-cholestanate 	C27H46O4	434.33961	NA	MeJP	NA	NA
+MetaCyc03555	3-&alpha;,7-&alpha;-dihydroxy-5-&beta;-cholestanate [3-&alpha;,7-&alpha;-dihydroxy-5-&beta;-cholestanoate;]	C27H46O4	434.33961	NA	metacyc	NA	NA
+MetaCyc03556	3-&alpha;,7-&alpha;,12-&alpha;-trihydroxy-5-&beta;-cholestan-26-al []	C27H46O4	434.33961	NA	metacyc	NA	NA
+MJ062672	1-(3,5-Dimethylphenyl)-3,5,7-eicosanetriol 	C28H50O3	434.375995	NA	MeJP	NA	NA
+MJ062673	24-Methyl-5,6-secocholest-7-ene-3,5,6-triol 	C28H50O3	434.375995	NA	MeJP	NA	NA
+MJ062674	3,7-Dimethyl-1,6-octadiene-3,4-diol, 4-(9-Octadecenoyl)(Z-) 	C28H50O3	434.375995	NA	MeJP	NA	NA
+MJ062675	Taiwaniasterol D 	C28H50O3	434.375995	NA	MeJP	NA	NA
+MetaCyc03557	6-deoxotyphasterol [deoxotyphasterol;]	C28H50O3	434.375995	NA	metacyc	NA	NA
+MetaCyc03558	6-deoxoteasterone [deoxoteasterone;]	C28H50O3	434.375995	NA	metacyc	NA	NA
+C15799	6-Deoxoteasterone	C28H50O3	434.376	NA	KEGG	NA	NA
+C15801	6-Deoxotyphasterol	C28H50O3	434.376	NA	KEGG	NA	NA
+MJ062676	20-Nonacosene-2,4-dione 	C29H54O2	434.41238	NA	MeJP	NA	NA
+MJ062677	22-Methyl-5,9-octacosadienoic acid 	C29H54O2	434.41238	NA	MeJP	NA	NA
+MJ062678	26-Methyl-5,9-octacosadienoic acid 	C29H54O2	434.41238	NA	MeJP	NA	NA
+MJ062679	27-Methyl-5,9-octacosadienoic acid 	C29H54O2	434.41238	NA	MeJP	NA	NA
+MJ062680	2-Tridecyl-2-heptadecenal 	C30H58O	434.448766	NA	MeJP	NA	NA
+MJ062681	10-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062682	11-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062683	12-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062684	13-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062685	14-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062686	15-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062687	3-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062688	7-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062689	8-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+MJ062690	9-Hentriacontene 	C31H62	434.485151	NA	MeJP	NA	NA
+C15639	CITCO	C19H12Cl3N3OS	434.9767	NA	KEGG	NA	NA
+MJ062691	Technetium ethylenedicysteine, Di-Et ester 	C12H21N2O5S2Tc	434.996403	NA	MeJP	NA	NA
+MJ062692	4-(Methylthio)-3-butenyl glucosinolate; S-Oxide 	C12H21NO10S3	435.032757	NA	MeJP	NA	NA
+C08420	Glucoraphenin	C12H21NO10S3	435.0328	NA	KEGG	NA	NA
+MJ062693	1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, 15-Dechloro, 3,3,4,4-tetrahydro, N-Ac 	C17H26Cl5NO	435.045702	NA	MeJP	NA	NA
+MJ062694	Aztreonam 	C13H17N5O8S2	435.051853	NA	MeJP	NA	NA
+C06840	Aztreonam	C13H17N5O8S2	435.0519	NA	KEGG	NA	NA
+C06841	Transferred to D00241	C13H17N5O8S2	435.0519	NA	KEGG	NA	NA
+MJ062695	N-(4-Bromophenyl)-3-oxo-4,5-diphenyl-1-pyrazolidinecarboxamide 	C22H18BrN3O2	435.058239	NA	MeJP	NA	NA
+MJ062696	Cloxacillin 	C19H18ClN3O5S	435.065569	NA	MeJP	NA	NA
+C06923	Cloxacillin	C19H18ClN3O5S	435.0656	NA	KEGG	NA	NA
+C08401	Glucoberteroin	C13H25NO9S3	435.0691	NA	KEGG	NA	NA
+MJ062697	5-(Methylthio)pentyl glucosinolate 	C13H25NO9S3	435.069143	NA	MeJP	NA	NA
+MJ062698	2,5-Bis[(2-amino-2-carboxyethyl)thio]-3-hydroxytyrosine 	C15H21N3O8S2	435.077006	NA	MeJP	NA	NA
+MJ062699	Lodiperone 	C21H20Cl2FN3O2	435.09166	NA	MeJP	NA	NA
+FL7AAGGS0001	Delphinidin 3-arabinoside	C20H19O11	435.09273	28500-01-8	knapsack	NA	NA
+PJ001407	PCCN 	C15H25N5O6S2	435.1246	NA	PeJP	NA	NA
+PJ001408	GGPCC 	C15H25N5O6S2	435.1247	NA	PeJP	NA	NA
+MJ062700	Anthracyclinone blue B; 12-Deoxy 	C24H21NO7	435.131802	NA	MeJP	NA	NA
+PJ001409	GNDM 	C15H25N5O8S	435.1424	NA	PeJP	NA	NA
+MJ062701	Tiamdipine 	C20H25N3O6S	435.146406	NA	MeJP	NA	NA
+PJ001410	CQW 	C19H25N5O5S	435.1577	NA	PeJP	NA	NA
+MJ062702	Exatecan 	C24H22FN3O4	435.159434	NA	MeJP	NA	NA
+PJ001411	SSNE 	C15H25N5O10	435.1602	NA	PeJP	NA	NA
+MJ062703	Gerambullal; 1-Hydroxy 	C22H29NO6S	435.171558	NA	MeJP	NA	NA
+MJ062704	Gerambullin; 12-Hydroxy, 5'-oxo 	C22H29NO6S	435.171558	NA	MeJP	NA	NA
+MJ062705	Trichanthin A; 4'-Deoxy, 2',3'-dihydro 	C22H29NO6S	435.171558	NA	MeJP	NA	NA
+PJ001412	GSSW 	C19H25N5O7	435.1754	NA	PeJP	NA	NA
+PJ001413	GTQM 	C16H29N5O7S	435.1788	NA	PeJP	NA	NA
+MJ062706	Novacine; N-De-Me, N-cyano 	C24H25N3O5	435.17942	NA	MeJP	NA	NA
+MJ062707	3-[4-[4-(6-Fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5-trimethyl-4-thiazolidinone 	C22H30FN3OS2	435.181432	NA	MeJP	NA	NA
+MJ062708	Uvarindole A 	C29H25NO3	435.183443	NA	MeJP	NA	NA
+MJ062709	5'-Hydroxymethylcytomycin 	C18H25N7O6	435.186631	NA	MeJP	NA	NA
+MJ062710	Ipanguline D3; 2''-Epimer, 7-O-(2-hydroxybenzoyl), 3''-Ac 	C22H29NO8	435.189316	NA	MeJP	NA	NA
+MJ062711	Ipanguline D3; 7-O-(2-Hydroxybenzoyl), 3''-Ac 	C22H29NO8	435.189316	NA	MeJP	NA	NA
+PJ001414	GTCR 	C15H29N7O6S	435.19	NA	PeJP	NA	NA
+MJ062712	Neoxaline 	C23H25N5O4	435.190654	NA	MeJP	NA	NA
+PJ001415	CKW 	C20H29N5O4S	435.194	NA	PeJP	NA	NA
+PJ001416	SSDK 	C16H29N5O9	435.1965	NA	PeJP	NA	NA
+MJ062713	Heimine 	C26H29NO5	435.204573	NA	MeJP	NA	NA
+MJ062714	Verticillatine; 5-Epimer, O21-Me 	C26H29NO5	435.204573	NA	MeJP	NA	NA
+MJ062715	Verticillatine; O21-Me 	C26H29NO5	435.204573	NA	MeJP	NA	NA
+MJ062716	Vertine 	C26H29NO5	435.204573	NA	MeJP	NA	NA
+C10585	Cryogenine	C26H29NO5	435.2046	NA	KEGG	NA	NA
+PJ001417	SSSR 	C15H29N7O8	435.2078	NA	PeJP	NA	NA
+MJ062717	Melemeleone A 	C23H33NO5S	435.207943	NA	MeJP	NA	NA
+MJ062718	Melemeleone B 	C23H33NO5S	435.207943	NA	MeJP	NA	NA
+MJ062719	Trimazosin 	C20H29N5O6	435.211783	NA	MeJP	NA	NA
+PJ001418	AAQF 	C20H29N5O6	435.2118	NA	PeJP	NA	NA
+PJ001419	GTKM 	C17H33N5O6S	435.2152	NA	PeJP	NA	NA
+MJ062720	Cadabicine 	C25H29N3O4	435.215806	NA	MeJP	NA	NA
+PJ001420	NFR 	C19H29N7O5	435.223	NA	PeJP	NA	NA
+MJ062721	Tongolenine D 	C23H33NO7	435.225702	NA	MeJP	NA	NA
+MJ062722	Valsartan 	C24H29N5O3	435.227039	NA	MeJP	NA	NA
+MJ062723	Clofilium(1+); Phosphate (1:1) 	C21H39ClNO4P	435.230522	NA	MeJP	NA	NA
+PJ001421	STTK 	C17H33N5O8	435.2329	NA	PeJP	NA	NA
+MJ062724	Ancistrobrevine A 	C27H33NO4	435.240958	NA	MeJP	NA	NA
+MJ062725	Ancistrobrevine B; Epimer, 6-Me ether, N-Me 	C27H33NO4	435.240958	NA	MeJP	NA	NA
+MJ062726	Ancistrocladine; Stereoisomer, Me ether 	C27H33NO4	435.240958	NA	MeJP	NA	NA
+MJ062727	N-Benzoyl-4-(4-acetoxyneryloxy)phenethylamine 	C27H33NO4	435.240958	NA	MeJP	NA	NA
+MJ062728	Paxilline 	C27H33NO4	435.240958	NA	MeJP	NA	NA
+MJ062729	Sanguinine; O6-[(Adamantan-1-yl)]carbonyl 	C27H33NO4	435.240958	NA	MeJP	NA	NA
+C12342	Ancistrobrevine A	C27H33NO4	435.241	NA	KEGG	NA	NA
+C13782	Paxilline	C27H33NO4	435.241	NA	KEGG	NA	NA
+PJ001422	AAKF 	C21H33N5O5	435.2482	NA	PeJP	NA	NA
+MJ062730	Acophine 	C25H38ClNO3	435.254021	NA	MeJP	NA	NA
+MJ062731	Bicolorine; O14-Ac 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062732	Bicolorine; O6-Ac 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062733	Delpheline; O1-De-Me 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062734	Delpheline; O14-De-Me 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062735	Delpheline; O16-De-Me 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062736	Delstaphinine 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062737	Norerythrophlamide 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062738	Norerythrophlamine 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062739	Norerythrosuamide 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062740	Nudicaulamine; O1-De-Me 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062741	Virescenine; 18-Demethoxy, O14-Ac 	C24H37NO6	435.262087	NA	MeJP	NA	NA
+MJ062742	Gentamicin C; Gentamicin C1a, 3''-N-De-Me 	C18H37N5O7	435.269298	NA	MeJP	NA	NA
+MJ062743	Gentamicin C; Gentamicin C1a, 4''-Demethyl 	C18H37N5O7	435.269298	NA	MeJP	NA	NA
+MJ062744	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 18,19-Dideoxy 	C28H37NO3	435.277344	NA	MeJP	NA	NA
+MJ062745	Haumanamide 	C28H37NO3	435.277344	NA	MeJP	NA	NA
+MJ062746	Paspaline B 	C28H37NO3	435.277344	NA	MeJP	NA	NA
+MJ062747	Ussuriedine; 6-Ketone, O18-Me 	C28H37NO3	435.277344	NA	MeJP	NA	NA
+MJ062748	4-[[2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide 	C27H37N3O2	435.288577	NA	MeJP	NA	NA
+MJ062749	Cassamine; 7?-Alcohol 	C25H41NO5	435.298473	NA	MeJP	NA	NA
+MJ062750	Norcassaidide; O3-Ac 	C25H41NO5	435.298473	NA	MeJP	NA	NA
+MJ062751	Talatizamine; O8-Me 	C25H41NO5	435.298473	NA	MeJP	NA	NA
+C16889	Pahutoxin	C23H46NO4	435.3115	NA	KEGG	NA	NA
+C13806	Philanthotoxin 343	C23H41N5O3	435.3209	NA	KEGG	NA	NA
+MJ062752	Philanthotoxin 433 	C23H41N5O3	435.32094	NA	MeJP	NA	NA
+MJ062753	Calicogorgin B 	C26H45NO4	435.334858	NA	MeJP	NA	NA
+MJ062754	Mycalazal 1; 7',8'-Dihydro 	C30H45NO	435.350115	NA	MeJP	NA	NA
+MJ062755	Alkaloid LV1 	C29H45N3	435.361348	NA	MeJP	NA	NA
+2887	NA	EVQKQLQ	435.731	MH2+	Inhouse_peptide	NA	peptide
+MJ062756	Rubrolide E; 3'',5''-Dibromo 	C17H10Br2O4	435.894584	NA	MeJP	NA	NA
+MJ062757	Rubrolide E; 3',5'-Dibromo 	C17H10Br2O4	435.894584	NA	MeJP	NA	NA
+MJ062758	5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)thio]-1H-pyrazole-3-carbonitrile; S-Oxide 	C12H4Cl2F6N4OS	435.938706	NA	MeJP	NA	NA
+MJ062759	Diploicin; Me ether 	C17H12Cl4O5	435.943884	NA	MeJP	NA	NA
+MJ062760	Sertaconazole 	C20H15Cl3N2OS	435.997066	NA	MeJP	NA	NA
+MJ062761	Molokaiamine; N3'',N3''-Di-Me, N2'-methoxycarbonyl 	C15H22Br2N2O3	435.999717	NA	MeJP	NA	NA
+MJ062762	Palisadin B; 5?-Acetoxy 	C17H26Br2O3	436.024869	NA	MeJP	NA	NA
+MJ062763	Tenerol; 11-Ac 	C17H26Br2O3	436.024869	NA	MeJP	NA	NA
+MJ062764	Hamigeran C 	C21H25BrO5	436.088536	NA	MeJP	NA	NA
+MJ062765	7-Chloro-3,3',4',5,6,8-hexahydroxyflavone; Hexa-Me ether 	C21H21ClO8	436.092495	NA	MeJP	NA	NA
+MJ062766	Peniophorinin 	C27H16O6	436.094688	NA	MeJP	NA	NA
+FL4DACGS0001	Taxifolin 3-apioside	C20H20O11	436.10056	124078-33-7	knapsack	NA	NA
+FL4DACGS0002	(2R,3R)-Taxifolin 3-xyloside	C20H20O11	436.10056	75714-88-4	knapsack	NA	NA
+FL4DACGS0003	(2R,3S)-Epitaxifolin 3-xyloside	C20H20O11	436.10056	109430-54-8	knapsack	NA	NA
+FL4DACGS0004	(2S,3R)-Epitaxifolin 3-xyloside	C20H20O11	436.10056	109430-53-7	knapsack	NA	NA
+FL4DACGS0005	(2S,3S)-Taxifolin 3-xyloside	C20H20O11	436.10056	109430-52-6	knapsack	NA	NA
+FL4DACGS0027	(2R,3R)-Taxifolin 3-alpha-arabinopyranoside	C20H20O11	436.10056	219808-20-5	knapsack	NA	NA
+FL4DACGS0028	(2R,3S)-Taxifolin 3-alpha-arabinopyranoside	C20H20O11	436.10056	219808-21-6	knapsack	NA	NA
+FL4DACGS0029	Taxifolin 3-alpha-L-arabinofuranoside	C20H20O11	436.10056	168293-37-6	knapsack	NA	NA
+MJ062767	1,2,6,8-Tetrahydroxyxanthone; 2-Me ether, 8-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062768	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 1-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062769	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 8-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062770	1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 5-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062771	1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 8-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062772	1,3,5,8-Tetrahydroxyxanthone; 5-Me ether, 3-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062773	1,3,5,8-Tetrahydroxyxanthone; 5-Me ether, 8-O-?-D-glucopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062774	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone; 5-Me ether 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062775	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Apiofuranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062776	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Xylopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062777	3,3',4',5,7-Pentahydroxyflavanone, 3-O-D-Arabinopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062778	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Arabinofuranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062779	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Arabinopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062780	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Xylopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062781	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Arabinopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062782	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Xylopyranoside 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062783	3-Hydroxy-4H-pyran-4-one; O-[3,4-Dihydroxy-E-cinnamoyl-(?3)-?-D-glucopyranoside] 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062784	3-Hydroxy-4H-pyran-4-one; O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062785	Isomangiferin; 3-Me ether 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062786	Isomangiferin; 7-Me ether 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062787	Mangiferin; 3-Me ether 	C20H20O11	436.100561	NA	MeJP	NA	NA
+MJ062788	Mangiferin; 7-Me ether 	C20H20O11	436.100561	NA	MeJP	NA	NA
+C10067	Irisxanthone	C20H20O11	436.1006	NA	KEGG	NA	NA
+C10093	Swertianolin	C20H20O11	436.1006	NA	KEGG	NA	NA
+C08124	Nafcillin sodium	C21H21N2O5S	436.1069	NA	KEGG	NA	NA
+C08125	Transferred to D00929	C21H21N2O5S	436.1069	NA	KEGG	NA	NA
+PJ001423	PCCD 	C15H24N4O7S2	436.1087	NA	PeJP	NA	NA
+MJ062789	(L-Seryl)adenylate 	C13H21N6O9P	436.110762	NA	MeJP	NA	NA
+MJ062790	Melithiazoles; Melithiazole N 	C20H24N2O5S2	436.112663	NA	MeJP	NA	NA
+FL63ACNN0003	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]epicatechin-8-one	C24H20O8	436.11581	155050-41-2	knapsack	NA	NA
+FL63AGNN0001	Epigallocatechin 3-O-cinnamate	C24H20O8	436.11581	108907-46-6	knapsack	NA	NA
+MJ062791	1,3,8,11-Tetrahydroxy-10-(4-hydroxy-2-oxopentyl)-2-methyl-5,12-naphthacenedione 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062792	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-Cinnamoyl 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062793	Cinchonain Ia; 10-Epimer, 3''-deoxy 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062794	Cinchonain Ia; 3''-Deoxy 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062795	Foliosone 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062796	Kielcorin B 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062797	Kielcorin 	C24H20O8	436.115817	NA	MeJP	NA	NA
+MJ062798	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N11-(6-Deoxy-?-D-gulopyranosyl) 	C24H21ClN2O4	436.118984	NA	MeJP	NA	NA
+MJ062799	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N11-?-L-Rhamnopyrannosyl 	C24H21ClN2O4	436.118984	NA	MeJP	NA	NA
+MJ062800	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N12-(6-Deoxy-?-D-gulopyranosyl) 	C24H21ClN2O4	436.118984	NA	MeJP	NA	NA
+MJ062801	3-Chloro-11,12-dihydroindolo[2,3-a]carbazole; N12-?-L-Rhamnopyranosyl 	C24H21ClN2O4	436.118984	NA	MeJP	NA	NA
+MJ062802	Tianeptine 	C21H25ClN2O4S	436.122355	NA	MeJP	NA	NA
+PJ001424	GDDM 	C15H24N4O9S	436.1264	NA	PeJP	NA	NA
+MJ062803	Eriodermic acid; 2,2'-Di-Me ether, Me ester 	C22H25ClO7	436.12888	NA	MeJP	NA	NA
+MJ062804	Falconensin A; 1',2'-Dihydro, 3''-dechloro, 4''-O-de-Me 	C22H25ClO7	436.12888	NA	MeJP	NA	NA
+MJ062805	Rhizoferrin 	C16H24N2O12	436.132924	NA	MeJP	NA	NA
+C01604	Phlorizin	C21H24O10	436.1369	NA	KEGG	NA	NA
+FL1DAACS0001	Nothofagin;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone	C21H24O10	436.13694	11023-94-2	knapsack	NA	NA
+FL1DAAGS0002	Phloridzin;Phloretin 2'-glucoside	C21H24O10	436.13694	60-81-1	knapsack	NA	NA
+FL1DAAGS0003	Trilobatin	C21H24O10	436.13694	4192-90-9	knapsack	NA	NA
+FL1DHXCS0001	Coatline A	C21H24O10	436.13694	87441-88-1	knapsack	NA	NA
+FL1DHXGS0001	Licoagroside F;4,2',4',alpha-Tetrahydroxydihydrochalcone alpha-O-glucoside	C21H24O10	436.13694	464198-33-2	knapsack	NA	NA
+FL1DHYCS0001	Pterosupin	C21H24O10	436.13694	81861-73-6	knapsack	NA	NA
+FL1DHYGS0001	Rocymosin B	C21H24O10	436.13694	150036-01-4	knapsack	NA	NA
+FL63AAGS0002	Epiafzelechin 3-O-beta-D-allopyranoside	C21H24O10	436.13694	147511-60-2	knapsack	NA	NA
+FL63AAGS0003	Arthromerin B	C21H24O10	436.13694	-	knapsack	NA	NA
+FL63AAGS0004	Epiafzelechin 3-O-beta-D-glucopyranoside	C21H24O10	436.13694	114637-87-5	knapsack	NA	NA
+FL63AAGS0006	Epiafzelechin 5-O-beta-D-glucopyranoside	C21H24O10	436.13694	94285-13-9	knapsack	NA	NA
+FL63AAGS0008	Afzelechin 4'-O-beta-D-glucopyranosdie	C21H24O10	436.13694	156521-54-9	knapsack	NA	NA
+FL63AAGS0009	Ent-afzelechin-7-O-beta-D-glucopyranoside	C21H24O10	436.13694	-	knapsack	NA	NA
+FL63ACGS0007	Catechin 3-O-alpha-L-rhamnoside	C21H24O10	436.13694	103630-03-1	knapsack	NA	NA
+FL63ACGS0018	Catechin 7-O-alpha-L-rhamnopyranoside	C21H24O10	436.13694	60355-69-3	knapsack	NA	NA
+MJ062806	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 2?,3?-Epoxide, 8-(2-methylpropenoyl), 13-Ac 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062807	1,2,4-Benzenetriol; 1-O-[(3-Hydroxy-3-phenylpropanoyl)-(?6)-?-D-allopyranoside] 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062808	1-(2,4-Dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062809	1-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethylene; 4-Me ether, 2-O-?-D-glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062810	2,5-Dihydroxybenzyl alcohol; 1'-O-(2-Methoxybenzoyl), 2-O-?-D-glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062811	2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, 6-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062812	2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, O?-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062813	2-Phenylethanol; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062814	2-[2-(3,4-Dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid; 3'-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062815	3,10-Epoxy-4,5,8,15-tetrahydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methyl-2-propenoyl), 5-Ac 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062816	3,3',4',5,7-Pentahydroxyflavan, 3-O-?-L-Rhamnopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062817	3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Allopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062818	3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062819	3,4',5,7-Tetrahydroxyflavan, 5-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062820	3,4',5,7-Tetrahydroxyflavan, 7-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062821	3,4',5,7-Tetrahydroxyflavan, 3-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062822	3,4',5,7-Tetrahydroxyflavan, 4'-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062823	3,4-Dihydro-7,9-dihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione, 9-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062824	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062825	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062826	4-Hydroxybenzyl alcohol; ?-O-(4-Hydroxy-3-methoxybenzoyl), 4-O-?-D-glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062827	7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one; 7-Ketone, 3-O-?-D-glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062828	Aloenin; 4'',6''-Ethylidene 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062829	Aloesaponol IV; 4-Epimer, O-de-Me, 4-O-?-D-glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062830	Eranthin; 4'-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062831	Neriaphigenin; 9-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062832	Pterosupin 	C21H24O10	436.136946	NA	MeJP	NA	NA
+MJ062833	Semivioxanthin, 9-O-?-D-Glucopyranoside 	C21H24O10	436.136946	NA	MeJP	NA	NA
+PJ001425	SCNN 	C14H24N6O8S	436.1376	NA	PeJP	NA	NA
+PJ001426	GGSCN 	C14H24N6O8S	436.1377	NA	PeJP	NA	NA
+MJ062834	Tryptophan tryptophylquinone 	C22H20N4O6	436.138284	NA	MeJP	NA	NA
+MJ062835	2-Butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid 	C22H21ClN6O2	436.141451	NA	MeJP	NA	NA
+C15554	EXP 3174	C22H21ClN6O2	436.1415	NA	KEGG	NA	NA
+PJ001427	CEW 	C19H24N4O6S	436.1417	NA	PeJP	NA	NA
+PJ001428	SSDE 	C15H24N4O11	436.1442	NA	PeJP	NA	NA
+PJ001429	SPCM 	C16H28N4O6S2	436.145	NA	PeJP	NA	NA
+MJ062836	Melithiazoles; Melithiazole G 	C21H28N2O4S2	436.149048	NA	MeJP	NA	NA
+MJ062837	Melithiazoles; Melithiazole I 	C21H28N2O4S2	436.149048	NA	MeJP	NA	NA
+FL2FF9NC0001	Macrophyllol A (flavone);5-Hydroxy-7,8-dimethoxy-6-(2-hydroxy-5-methoxybenzyl)flavanone	C25H24O7	436.1522	477934-73-9	knapsack	NA	NA
+FL3FALNP0011	Artobilichromene	C25H24O7	436.1522	54963-50-7	knapsack	NA	NA
+FL3FALNP0014	Artonin E;KB 3;5-Hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H24O7	436.1522	129683-93-8	knapsack	NA	NA
+FL3FRNNF0004	Artonin J;5a,6-Dihydro-1,3,8,10-tetrahydroxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one	C25H24O7	436.1522	148719-51-1	knapsack	NA	NA
+FL4DQUNP0001	Sanggenon A	C25H24O7	436.1522	76464-71-6	knapsack	NA	NA
+FL4DRNNP0001	Sanggenon M	C25H24O7	436.1522	92280-11-0	knapsack	NA	NA
+FL5FACND0001	Broussonol B;8,9-Dihydro-3,5-dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one	C25H24O7	436.1522	370563-80-7	knapsack	NA	NA
+FL5FACNP0005	Broussonol A;8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one	C25H24O7	436.1522	339524-98-0	knapsack	NA	NA
+FL5FACNP0006	Petalopurpurenol;(-)-3,5,7-Trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-4H-1-benzopyran-4-one	C25H24O7	436.1522	173221-05-1	knapsack	NA	NA
+FLIAALND0001	Lupinisoflavone L	C25H24O7	436.1522	128700-27-6	knapsack	NA	NA
+FLIAALND0002	Lupinisoflavone K	C25H24O7	436.1522	128700-26-5	knapsack	NA	NA
+FLIG1LNI0005	Euchretin B	C25H24O7	436.1522	125002-85-9	knapsack	NA	NA
+MJ062838	Artobilochromene 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062839	Artonin E 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062840	Artonin J 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062841	Auriculatin; 2''',3'''-Epoxide 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062842	Auriculatin; ?3''-Isomer, 2''-hydroxy 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062843	Bletilol B; O-De-Ac 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062844	Broussonol A 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062845	Chromanoartobilochromene a 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062846	Chromanoartobilochromene b 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062847	Cyathoviridin 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062848	Erysenegalensein J 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062849	Euchretin B 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062850	Euchretin F 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062851	Gnetifolin F 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062852	Lupinisoflavone L 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062853	Morusin; 4''-Hydroxy 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062854	Petalopurpurenol 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062855	Pomiferin; ?3''-Isomer, 2''-hydroxy 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062856	Sanggenon A 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062857	Sanggenon M 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062858	Terphenyllin; 6'-O-De-Me, 4,4''-di-Me ether, 2',6'-di-Ac 	C25H24O7	436.152203	NA	MeJP	NA	NA
+MJ062859	Metesind 	C23H24N4O3S	436.156911	NA	MeJP	NA	NA
+MJ062860	Diderroside; O-De-Ac, Me ester 	C18H28O12	436.158076	NA	MeJP	NA	NA
+MJ062861	Eleganoside C 	C18H28O12	436.158076	NA	MeJP	NA	NA
+PJ001430	GTEM 	C16H28N4O8S	436.1628	NA	PeJP	NA	NA
+MJ062862	Delprostenate 	C23H29ClO6	436.165266	NA	MeJP	NA	NA
+MJ062863	Wybutine, 3-?-D-Ribofuranosyl 	C18H24N6O7	436.170647	NA	MeJP	NA	NA
+MJ062864	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062865	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 13-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062866	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062867	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8-(2-methylpropenoyl), 13-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062868	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Tigloyl, 13-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062869	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 13-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062870	1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(3,4-Dihydroxy-2-methylenebutanoyl), 15-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062871	3,3',4,4',5,5',9,9'-Octahydroxy-7,7'-epoxylignan, 3,3',5,5'-Tetra-Me ether 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062872	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2-butenoyl), 15-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062873	3,8,9,10-Tetrahydroxy-1-oxo-4,11(13)-germacradien-12,6-olide, 8-Angeloyl, 9-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062874	4,18:15,16-Diepoxy-6,8,10,19-tetrahydroxy-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062875	4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8-angeloyl, 9-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062876	4,8,9,10-Tetrahydroxy-2,11(13)-guaiadien-12,6-olide, 4-Hydroperoxide, 8-tigloyl, 9-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062877	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2?-butenoyl), 9-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062878	8,9,10-Trihydroxy-2,3-seco-4,11(13)-germacradiene-3,1;12,6-diolide, 8-Angeloyl, 9-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062879	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-Ac, Me ester 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062880	Bruceolide; 15-Deoxy, parent acid, Et ester 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062881	Glaucarubol; 2-Ketone, 15-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+MJ062882	Samaderine Z; 15-Ac 	C22H28O9	436.173332	NA	MeJP	NA	NA
+PJ001431	TMW 	C20H28N4O5S	436.1781	NA	PeJP	NA	NA
+MJ062883	Bismurrayafoline A; 3-Hydroxy 	C28H24N2O3	436.178692	NA	MeJP	NA	NA
+MJ062884	Oxydimurrayafoline 	C28H24N2O3	436.178692	NA	MeJP	NA	NA
+PJ001432	STTE 	C16H28N4O10	436.1806	NA	PeJP	NA	NA
+PJ001433	GVMM 	C17H32N4O5S2	436.1814	NA	PeJP	NA	NA
+PJ001434	GSHH 	C17H24N8O6	436.1819	NA	PeJP	NA	NA
+MJ062885	Antimycin A; Antimycin A3, De(3-methylbutanoyl) 	C21H28N2O8	436.184565	NA	MeJP	NA	NA
+3738	NA	YPFGFWG	436.186	MH2+	Inhouse_peptide	NA	peptide
+FL1CA8NP0001	Orotinichalcone	C26H28O6	436.18858	108864-19-3	knapsack	NA	NA
+FL2FADNP0002	3'-Methoxylupinifolin	C26H28O6	436.18858	144049-80-9	knapsack	NA	NA
+FL2FALNP0005	Fleminone	C26H28O6	436.18858	88660-16-6	knapsack	NA	NA
+FL3FADNI0001	Cannflavin A	C26H28O6	436.18858	76735-57-4	knapsack	NA	NA
+FL3FALNI0009	Artocarpin;2',4',5-Trihydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C26H28O6	436.18858	7608-44-8	knapsack	NA	NA
+FL4DA8NP0002	(3R)-3-Methoxyminimiflorin;5,2'-Dihydroxy-3-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C26H28O6	436.18858	259812-80-1	knapsack	NA	NA
+FL4DBANP0001	3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C26H28O6	436.18858	234429-78-8	knapsack	NA	NA
+FL4DDANP0001	3-O-methyllupinifolinol	C26H28O6	436.18858	120211-96-3	knapsack	NA	NA
+FL64RNNP0001	4,6'-Epoxyorotiniflavan-4-ol	C26H28O6	436.18858	-	knapsack	NA	NA
+FLIAADNP0001	1'',2''-Dihydro-O-methylcyclopomiferin	C26H28O6	436.18858	78876-33-2	knapsack	NA	NA
+FLIAAENI0001	6,8-Diprenylpratensein;5,7,3'-Trihydroxy-4'-methoxy-6,8-diprenylisoflavone	C26H28O6	436.18858	87530-21-0	knapsack	NA	NA
+FLIAALNI0008	2'-Methoxylupalbigenin;5,7,4'-Trihydroxy-2'-methoxy-6,3'-diprenylisoflavone	C26H28O6	436.18858	89143-44-2	knapsack	NA	NA
+FLIAALNP0010	1'',2''-Dihydro-2'-hydroxycycloosajin	C26H28O6	436.18858	78876-34-3	knapsack	NA	NA
+FLIBALNP0006	2'-O-Methylcajanone	C26H28O6	436.18858	71765-79-2	knapsack	NA	NA
+FLNF19NP0001	Isochapelieric acid methyl ester	C26H28O6	436.18858	90866-14-1	knapsack	NA	NA
+FLNF19NP0002	Chapelieric acid methyl ester	C26H28O6	436.18858	34336-12-4	knapsack	NA	NA
+MJ062886	1,11:14,15-Diepoxy-6-hydroxymeliaca-5,9,20,22-tetraene-3,7-dione 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062887	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavone; 7-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062888	2',4',5,7-Tetrahydroxy-3,6-diprenylflavone; 7-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062889	2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; 2'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062890	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 3'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062891	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 4'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062892	3',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; 3'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062893	3',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; 4'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062894	3,4,7,8-Tetrahydro-11-(2-hydroxy-4-methoxyphenyl)-2,2,6,6-tetramethyl-2H,6H,12H-benzo[1,2-b;3,4-b';5,6-b'']tripyran-12-one 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062895	4',5,7-Trihydroxy-6,8-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy, 5-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062896	4',5,7-Trihydroxy-6,8-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy, 5-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062897	4,6'-Epoxyoritiniflavanol 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062898	6-Geranyl-3',4',5,7-tetrahydroxyflavone; 3'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062899	Artocarpin 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062900	Bulgarialactone A 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062901	Cajanone; 2'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062902	Citrolin 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062903	Desmodianone A 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062904	Jayacanol, 3-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062905	Lupinifolin, 3'-Methoxy 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062906	Lupinifolinol; 3-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062907	Lupinol A; 3-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062908	Orotinichalcone 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062909	Orotinin; 5-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062910	Scandenone; 2''',3'''-Dihydro, 3'''-methoxy 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062911	Senegalensin; 5-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062912	Terphenyllin; 3''-Methoxy, 4''-O-(3-methyl-2-butenyl) 	C26H28O6	436.188588	NA	MeJP	NA	NA
+MJ062913	Ugonin A; 3'-Me ether 	C26H28O6	436.188588	NA	MeJP	NA	NA
+PJ001435	MMR 	C16H32N6O4S2	436.1927	NA	PeJP	NA	NA
+MJ062914	N-[N-[4-[4-(Aminoiminomethyl)phenoxy]-1-oxobutyl]-?-aspartyl]valine 	C20H28N4O7	436.195799	NA	MeJP	NA	NA
+PJ001436	GPTY 	C20H28N4O7	436.1958	NA	PeJP	NA	NA
+PJ001437	SSLM 	C17H32N4O7S	436.1992	NA	PeJP	NA	NA
+MJ062915	Bispyroquine 	C25H29ClN4O	436.202989	NA	MeJP	NA	NA
+PJ001438	DFR 	C19H28N6O6	436.2071	NA	PeJP	NA	NA
+C09532	Polhovolide	C23H32O8	436.2097	NA	KEGG	NA	NA
+MJ062916	1,6,14-Trihydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 6?-form, 14-(Methylpropanoyl), 1,6-di-Ac 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062917	2,3,5,11,14-Pentahydroxy-12-oxocard-20(22)-enolide 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062918	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-(2-Methylpropanoyl), 10,11-di-Ac 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062919	8,9,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylpropanoyl), 9-(2-hydroxy-2-methylpropanoyl) 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062920	9,13:15,16-Diepoxy-8,15-dihydroxy-7-oxo-19,6-labdanolide, 15-Me ether, 8-Ac 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062921	Antibiotic SI 4228C; 8-Hydroxy 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062922	Javanicin U 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062923	Luminacin; Luminacin A1 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062924	Nepetaefolin; 14,15-Dihydro, 15R-methoxy 	C23H32O8	436.209718	NA	MeJP	NA	NA
+MJ062925	Ergosecalinine 	C24H28N4O4	436.211055	NA	MeJP	NA	NA
+MJ062926	Griffithine 	C24H28N4O4	436.211055	NA	MeJP	NA	NA
+3428	NA	EILDVPST	436.21795	MH2+	Inhouse_peptide	NA	peptide
+MJ062927	Arginomycin 	C18H28N8O5	436.218266	NA	MeJP	NA	NA
+3827	ileum contracting peptide	PMYPLPR	436.2222	MH2+	Inhouse_peptide	NA	peptide
+FL2FABNI0003	Lespedezaflavanone F	C27H32O5	436.22497	145399-96-8	knapsack	NA	NA
+FL2FABNI0004	Lespedezaflavanone G	C27H32O5	436.22497	145399-97-9	knapsack	NA	NA
+MJ062928	4',5,7-Trihydroxy-6-methyl-3',8-diprenylflavanone, 4'-Me ether 	C27H32O5	436.224974	NA	MeJP	NA	NA
+MJ062929	4',5,7-Trihydroxy-8-methyl-3',6-diprenylflavanone, 4'-Me ether 	C27H32O5	436.224974	NA	MeJP	NA	NA
+MJ062930	Arisugacin E; 4a-Deoxy, 3-ketone 	C27H32O5	436.224974	NA	MeJP	NA	NA
+MJ062931	Ingenol; 20-Deoxy, 5-benzoyl 	C27H32O5	436.224974	NA	MeJP	NA	NA
+MJ062932	Isoschefflerin 	C27H32O5	436.224974	NA	MeJP	NA	NA
+MJ062933	Kanzonol I 	C27H32O5	436.224974	NA	MeJP	NA	NA
+MJ062934	Schefflerin 	C27H32O5	436.224974	NA	MeJP	NA	NA
+C14664	11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-	C24H33FO6	436.2261	NA	KEGG	NA	NA
+C15269	9-Fluoro-11beta,17,21-trihydroxy-2alpha-methylpregn-4-ene-3,20-dione	C24H33FO6	436.2261	NA	KEGG	NA	NA
+MJ062935	Fludroxycortide 	C24H33FO6	436.226116	NA	MeJP	NA	NA
+MJ062936	Royleose; 3'-O-De-Me 	C20H36O10	436.230847	NA	MeJP	NA	NA
+MJ062937	HC Toxin I 	C21H32N4O6	436.232184	NA	MeJP	NA	NA
+7796	Antioxidant peptide derived from bovine b-casein	VKEAMAPK	436.2322	MH2+	Inhouse_peptide	NA	peptide
+C15676	HC-toxin	C21H32N4O6	436.2322	NA	KEGG	NA	NA
+PJ001439	AALY 	C21H32N4O6	436.2322	NA	PeJP	NA	NA
+MJ062938	5,6,7,8,8a,9,12,12b-Octahydro-1-methoxy-7,10-dimethyl-4,8-methanobenzofuro[3,2-e]pyrrolo[2,3-g]isoquinoline-11-carboxylic acid; 2-Methylpropyl ester 	C26H32N2O4	436.236207	NA	MeJP	NA	NA
+MJ062939	Minovincinine, O-(3-Methyl-2-butenoyl) 	C26H32N2O4	436.236207	NA	MeJP	NA	NA
+MJ062940	Gorgiabisazulene 	C31H32O2	436.24023	NA	MeJP	NA	NA
+PJ001440	VRY 	C20H32N6O5	436.2434	NA	PeJP	NA	NA
+MJ062941	11(15?1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol, 9,13-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062942	12,13:15,16-Diepoxy-3-clerodene-14,15,16-triol; 15,16-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062943	15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 6-Butanoyl 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062944	15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 7-Butanoyl 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062945	16-Kaurene-1,3,6,11,15-pentol, 1,3-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062946	16-Kaurene-1,3,6,11,15-pentol, 3,15-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062947	16-Kaurene-3,6,7,11,15-pentol, 3,6-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062948	2,10(18),14-Prenylguaiatriene-4,6,9,12,13-pentol, 12,13-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062949	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 4,11-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062950	4(17),10(18),14-Prenylguaiatriene-3,6,9,12,13-pentol, 12,13-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062951	4(20),11-Taxadiene-2,5,9,10,13-pentol, 10,13-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062952	7,13,17-Trihydroxy-16-spongianone, 7,17-Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062953	7,20-Epoxy-6,7,11,17-tetrahydroxy-15-kauranone, 17-Et ether, 11-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062954	9,13-Epoxy-18-hydroxy-7-labden-15-oic acid, 18-Succinoyl 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062955	9,13-Epoxy-3,18-dihydroxy-15,16-labdanolide, Di-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062956	Fusicoplagin C 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MJ062957	Nigakihemiacetal C; 12-Me ether, 11-Ac 	C24H36O7	436.246103	NA	MeJP	NA	NA
+MetaCyc03559	lysophosphatidate [L-2-lysophosphatidate;lysophosphatidic acid;LPA;monooleylphosphatidate;1-oleyllysophsophatidate;2-hydroxy-3-(phosphonooxy)propyl oleate;]	C21H41O7P1	436.25899	NA	metacyc	NA	NA
+HMDB00443	1-Oleoyl-lysophosphatidic acid	C21H41O7P	436.259	http://www.hmdb.ca/metabolites/HMDB00443	HMDB	NA	NA
+C03805	Stearoylglycerone phosphate	C21H41O7P	436.259	NA	KEGG	NA	NA
+C03806	Substituted beta-amino acid	C21H41O7P	436.259	NA	KEGG	NA	NA
+C03808	[Pyruvate kinase] phosphate	C4H7N2O6PR2	436.259	NA	KEGG	NA	NA
+C03809	[Tyrosine aminotransferase]	C4H7N2O6PR2	436.259	NA	KEGG	NA	NA
+HMDB00443	1-Oleoyl-lysophosphatidic acid	C21H41O7P	436.259	HMDB00443	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07851	LPA(0:0/18:1(9Z))	C21H41O7P	436.259003	NA	HMDB2010	NA	NA
+HMDB07855	LPA(18:1(9Z)/0:0)	C21H41O7P	436.259003	NA	HMDB2010	NA	NA
+HMDB11133	DHAP(18:0)	C21H41O7P	436.259003	NA	HMDB2010	NA	NA
+MJ062958	14,20-Epoxy-1-oxowitha-2,5,24-trienolide 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062959	2,3-Dihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062960	20-Hydroxy-1-oxowitha-2,5,14,24-tetraenolide 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062961	Azadirone 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062962	Balaenol; 20-Epimer, 22?-hydroxy 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062963	Canarol; 7-Hydroxy, 7,8-didehydro 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062964	Grevirobstol C 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062965	Tingenin A; 20?-Hydroxy 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062966	Tingenin A; 20?-Hydroxy 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062967	Tingenin A; 22?-Hydroxy 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062968	Tingenin A; 7,8?-Dihydro, 7-ketone 	C28H36O4	436.261359	NA	MeJP	NA	NA
+MJ062969	Withametelin 	C28H36O4	436.261359	NA	MeJP	NA	NA
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR529	18 :1 Lyso PC F4	NA	436.261925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR529	18 :1 Lyso PC F4	NA	436.261925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR529	18 :1 Lyso PC F4	NA	436.261925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR529	18 :1 Lyso PC F4	NA	436.261925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR529	18 :1 Lyso PC F4	F4	436.261925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ062970	Lifarizine 	C29H32N4	436.262697	NA	MeJP	NA	NA
+MJ062971	Ochrolifuanines, 18,19-Didehydro 	C29H32N4	436.262697	NA	MeJP	NA	NA
+MJ062972	Usambarensine; 1'R,2',3',4'-Tetrahydro 	C29H32N4	436.262697	NA	MeJP	NA	NA
+MJ062973	Usambarensine; 1'S,2',3',4'-Tetrahydro 	C29H32N4	436.262697	NA	MeJP	NA	NA
+MJ062974	Cipemastat 	C22H36N4O5	436.26857	NA	MeJP	NA	NA
+MJ062975	Eurystatin; Eurystatin C 	C22H36N4O5	436.26857	NA	MeJP	NA	NA
+MJ062976	Lophiline 	C27H36N2O3	436.272593	NA	MeJP	NA	NA
+MJ062977	Pangamic acid 	C20H40N2O8	436.278466	NA	MeJP	NA	NA
+MJ062978	10,12-Epoxy-4,10-seco-13(15),17-spatadiene-2,5,10,12-tetrol, 2,10,12-Tri-Me ether, 5-Ac 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062979	15,16-Epoxy-3-clerodene-15,18-diol, 15-Me ether, 18-(methylmalonoyl) 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062980	2,3,7-Trihydroxy-8(17)-labden-15,12-olide, 3-(2-Methylbutanoyl) 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062981	7,8:9,13-Diepoxy-1,6,15-labdanetriol, 15-(3-Methyl-2-butenoyl) 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062982	8(17),13-Labdadiene-15,19-diol, 19-Aldehyde, 15-O-?-D-xylopyranoside 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062983	8(17),13-Labdadiene-2,3,15,16,18-pentol, 3-Angeloyl 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062984	8,10,13(15),16-Lobatetraen-18-ol; O-?-D-Arabinopyranosyl, 13?,15?-epoxide (isomer 1) 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062985	8,10,13(15),16-Lobatetraen-18-ol; O-?-D-Arabinopyranosyl, 13?,15?-epoxide (isomer 2) 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062986	8,20-Epoxy-14-labdene-2,3,7,13-tetrol, 2-Angeloyl 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062987	Salvisyriacolide 	C25H40O6	436.282489	NA	MeJP	NA	NA
+MJ062988	16-Kauren-19-ol; ent-form, O-[3-(4-Hydroxyphenyl)propanoyl] 	C29H40O3	436.297745	NA	MeJP	NA	NA
+MJ062989	Bolmantalate 	C29H40O3	436.297745	NA	MeJP	NA	NA
+MJ062990	Bialamicol 	C28H40N2O2	436.308978	NA	MeJP	NA	NA
+MJ062991	Stolonic acid A; 25,26-Dihydro 	C26H44O5	436.318874	NA	MeJP	NA	NA
+HMDB02195	Varanic acid	C26H44O5	436.318878	NA	HMDB2010	NA	NA
+HMDB02195	Varanic acid	C26H44O5	436.31888	http://www.hmdb.ca/metabolites/HMDB02195	HMDB	NA	NA
+HMDB02195	Varanic acid	C26H44O5	436.31888	HMDB02195	PFEM_hmdb_metabocards_official	NA	NA
+C13309	2-Phytyl-1,4-naphthoquinone	C30H44O2	436.3341	NA	KEGG	NA	NA
+MJ062992	30-Hydroxy-1,12,20(29)-lupatrien-3-one 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062993	4,15,18-Triacontatriene-1,12,29-triyne-3,28-diol 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062994	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 12,12,13,13-Tetrahydro 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062995	4,15,26-Triacontatriene-1,12,18,29-tetrayne-3,28-diol, 4,5,26,27-Tetrahydro 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062996	4,15,26-Triacontatriene-1,29-diyne-3,28-diol; Diketone 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062997	4,15,27-Triacontatriene-1,12,29-triyne-3,26-diol 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062998	Alertenone 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ062999	Bitaylorione 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MJ063000	Lanosta-7,9(11),24-triene-3,26-diol, 3-Ketone, 26-aldehyde 	C30H44O2	436.33413	NA	MeJP	NA	NA
+MetaCyc03560	demethylphylloquinone [3-phytyl-1,4-naphtoquinone;]	C30H44O2	436.334131	NA	metacyc	NA	NA
+HMDB04649	Demethylphylloquinone	C30H44O2	436.334137	NA	HMDB2010	NA	NA
+HMDB04649	Demethylphylloquinone	C30H44O2	436.33414	http://www.hmdb.ca/metabolites/HMDB04649	HMDB	NA	NA
+HMDB04649	Demethylphylloquinone	C30H44O2	436.33414	HMDB04649	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00520	5a-Cholestane-3a,7a,12a,25-tetrol	C27H48O4	436.355255	NA	HMDB2010	NA	NA
+HMDB00524	5b-Cholestane-3a,7a,12a,25-tetrol	C27H48O4	436.355255	NA	HMDB2010	NA	NA
+HMDB00655	Cholestane-3,7,12,25-tetrol	C27H48O4	436.355255	NA	HMDB2010	NA	NA
+HMDB01231	27-Deoxy-5b-cyprinol	C27H48O4	436.355255	NA	HMDB2010	NA	NA
+HMDB01968	5b-Cholestane-3a,7a,12a,23-Tetrol	C27H48O4	436.355255	NA	HMDB2010	NA	NA
+HMDB00520	5a-Cholestane-3a,7a,12a,25-tetrol	C27H48O4	436.35526	http://www.hmdb.ca/metabolites/HMDB00520	HMDB	NA	NA
+HMDB00524	5b-Cholestane-3a,7a,12a,25-tetrol	C27H48O4	436.35526	http://www.hmdb.ca/metabolites/HMDB00524	HMDB	NA	NA
+HMDB00655	Cholestane-3,7,12,25-tetrol	C27H48O4	436.35526	http://www.hmdb.ca/metabolites/HMDB00655	HMDB	NA	NA
+HMDB01231	27-Deoxy-5b-cyprinol	C27H48O4	436.35526	http://www.hmdb.ca/metabolites/HMDB01231	HMDB	NA	NA
+HMDB01968	5b-Cholestane-3a,7a,12a,23-Tetrol	C27H48O4	436.35526	http://www.hmdb.ca/metabolites/HMDB01968	HMDB	NA	NA
+MJ063001	Cholestane-1,3,5,6-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063002	Cholestane-2,3,22,23-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063003	Cholestane-3,5,6,26-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063004	Cholestane-3,5,6,9-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063005	Cholestane-3,6,12,21-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063006	Cholestane-3,6,15,16-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063007	Cholestane-3,6,15,24-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063008	Cholestane-3,7,12,23-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063009	Cholestane-3,7,12,24-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063010	Cholestane-3,7,12,25-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063011	Cholestane-3,7,12,26-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063012	Cholestane-3,7,16,26-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063013	Cholestane-3,7,24,26-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063014	Cholestane-3,7,25,26-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MJ063015	Cholestane-3,7,26,27-tetrol 	C27H48O4	436.35526	NA	MeJP	NA	NA
+MetaCyc03561	5&beta;-cholestane-3&alpha;,7&alpha;,12&alpha;,26-tetraol [(25R)-5&beta;-cholestane-3&alpha;,7&alpha;,12&alpha;,26-tetraol;]	C27H48O4	436.35526	NA	metacyc	NA	NA
+HMDB00520	5a-Cholestane-3a,7a,12a,25-tetrol	C27H48O4	436.35526	HMDB00520	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00524	5b-Cholestane-3a,7a,12a,25-tetrol	C27H48O4	436.35526	HMDB00524	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00655	Cholestane-3,7,12,25-tetrol	C27H48O4	436.35526	HMDB00655	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01231	27-Deoxy-5b-cyprinol	C27H48O4	436.35526	HMDB01231	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01968	5b-Cholestane-3a,7a,12a,23-Tetrol	C27H48O4	436.35526	HMDB01968	PFEM_hmdb_metabocards_official	NA	NA
+C05446	3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane	C27H48O4	436.3553	NA	KEGG	NA	NA
+MJ063016	19-Oxo-22-octacosenoic acid 	C28H52O3	436.391645	NA	MeJP	NA	NA
+MJ063017	Ficulinic acid B 	C28H52O3	436.391645	NA	MeJP	NA	NA
+MJ063018	10,12-Nonacosanedione 	C29H56O2	436.428031	NA	MeJP	NA	NA
+MJ063019	10-Oxononacosanal 	C29H56O2	436.428031	NA	MeJP	NA	NA
+MJ063020	12,14-Nonacosanedione 	C29H56O2	436.428031	NA	MeJP	NA	NA
+MJ063021	14,16-Nonacosanedione 	C29H56O2	436.428031	NA	MeJP	NA	NA
+MJ063022	6,8-Nonacosanedione 	C29H56O2	436.428031	NA	MeJP	NA	NA
+MJ063023	8,10-Nonacosanedione 	C29H56O2	436.428031	NA	MeJP	NA	NA
+MJ063024	12-Triacontanone 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063025	2-Methyl-3-nonacosanone 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063026	2-Triacontanone 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063027	21-Triaconten-1-ol 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063028	3,7,15-Trimethyl-2-heptacosanone 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063029	3-Triacontanone 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063030	6-Triacontanone 	C30H60O	436.464416	NA	MeJP	NA	NA
+MJ063031	Triacontanal 	C30H60O	436.464416	NA	MeJP	NA	NA
+C08376	Hentriacontane	C31H64	436.5008	NA	KEGG	NA	NA
+MJ063032	Hentriacontane 	C31H64	436.500802	NA	MeJP	NA	NA
+MJ063033	2,3-Dimethylnonacosane 	C31H64	436.500802	NA	MeJP	NA	NA
+MJ063034	3-Methyltriacontane 	C31H64	436.500802	NA	MeJP	NA	NA
+7802	ACE inhibitor from as2-casein	NMAINPSK	436.7126	MH2+	Inhouse_peptide	NA	peptide
+MJ063035	Flusalan 	C14H8Br2F3NO2	436.887388	NA	MeJP	NA	NA
+MJ063036	Sulicrinat 	C15H10Cl3NO6S	436.92944	NA	MeJP	NA	NA
+MJ063037	Bis(4-hydroxyphenyl)(2-pyridinyl)methane; Bis(hydrogen sulfate) ester 	C18H15NO8S2	437.023907	NA	MeJP	NA	NA
+MJ063038	Cefetrizole 	C16H15N5O4S3	437.028616	NA	MeJP	NA	NA
+MJ063039	Tigemonam 	C12H15N5O9S2	437.031118	NA	MeJP	NA	NA
+MJ063040	Bis(4-hydroxyphenyl)(2-pyridinyl)methane; Bis(dihydrogen phosphate) ester 	C18H17NO8P2	437.042939	NA	MeJP	NA	NA
+C08419	Glucoraphanin	C12H23NO10S3	437.0484	NA	KEGG	NA	NA
+MJ063041	4-(Methylthio)butyl glucosinolate; S-Oxide 	C12H23NO10S3	437.048408	NA	MeJP	NA	NA
+MJ063042	Adociaquinone A; 3-Oxo 	C22H15NO7S	437.056922	NA	MeJP	NA	NA
+MJ063043	3-Phenylpropyl glucosinolate 	C16H23NO9S2	437.081422	NA	MeJP	NA	NA
+MJ063044	Antibiotic PB 5266A 	C13H19N5O10S	437.085262	NA	MeJP	NA	NA
+MJ063045	Miboplatin 	C11H18N2O4Pt	437.091431	NA	MeJP	NA	NA
+MJ063046	N-[4-(2-Chlorophenyl)-6,8-dimethyl-3-quinolinyl]-N'-(2,4-difluorophenyl)urea 	C24H18ClF2N3O	437.110646	NA	MeJP	NA	NA
+MJ063047	Ravuconazole 	C22H17F2N5OS	437.112187	NA	MeJP	NA	NA
+MJ063048	Cimetropium(1+); Bromide 	C21H28BrNO4	437.120171	NA	MeJP	NA	NA
+PJ001441	SCND 	C14H23N5O9S	437.1217	NA	PeJP	NA	NA
+PJ001442	GCQM 	C15H27N5O6S2	437.1403	NA	PeJP	NA	NA
+PJ001443	GCCR 	C14H27N7O5S2	437.1515	NA	PeJP	NA	NA
+C08054	Moxifloxacin hydrochloride	C21H24FN3O4	437.1518	NA	KEGG	NA	NA
+MJ063049	Jatropham, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C17H27NO12	437.153325	NA	MeJP	NA	NA
+MJ063050	Droclidinium(1+); Bromide 	C22H32BrNO3	437.156556	NA	MeJP	NA	NA
+PJ001444	SSNM 	C15H27N5O8S	437.158	NA	PeJP	NA	NA
+PJ001445	GGSSM 	C15H27N5O8S	437.1581	NA	PeJP	NA	NA
+MJ063051	?-[[[4-[4-(Aminoiminomethyl)phenyl]-4-methyl-2,5-dioxo-1-imidazolidinyl]acetyl]amino]benzenepropanoic acid 	C22H23N5O5	437.169918	NA	MeJP	NA	NA
+MJ063052	Fluphenazine 	C22H26F3N3OS	437.174867	NA	MeJP	NA	NA
+C07010	Fluphenazine	C22H26F3N3OS	437.1749	NA	KEGG	NA	NA
+C07011	Transferred to D00328	C22H26F3N3OS	437.1749	NA	KEGG	NA	NA
+C07012	Transferred to D00329	C22H26F3N3OS	437.1749	NA	KEGG	NA	NA
+C07013	Transferred to D00330	C22H26F3N3OS	437.1749	NA	KEGG	NA	NA
+PJ001446	GSSST 	C15H27N5O10	437.1758	NA	PeJP	NA	NA
+PJ001447	GCKM 	C16H31N5O5S2	437.1767	NA	PeJP	NA	NA
+C11092	Azocyclotin	C20H35N3Sn	437.1853	NA	KEGG	NA	NA
+MJ063053	Gerambullin; 1,8'-Dihydroxy 	C22H31NO6S	437.187208	NA	MeJP	NA	NA
+MJ063054	Gerambullin; 5',12-Dihydroxy 	C22H31NO6S	437.187208	NA	MeJP	NA	NA
+MJ063055	Gerambullin; 8',12-Dihydroxy 	C22H31NO6S	437.187208	NA	MeJP	NA	NA
+MJ063056	Gerambullin; 9',12-Dihydroxy 	C22H31NO6S	437.187208	NA	MeJP	NA	NA
+PJ001448	QQY 	C19H27N5O7	437.1911	NA	PeJP	NA	NA
+PJ001449	STCK 	C16H31N5O7S	437.1944	NA	PeJP	NA	NA
+C11596	FMLP	C21H31N3O5S	437.1984	NA	KEGG	NA	NA
+MJ063057	Methionylleucylphenylalanine; L-L-L-form, N-Formyl 	C21H31N3O5S	437.198441	NA	MeJP	NA	NA
+MJ063058	Methionylphenylalanylleucineyl 	C21H31N3O5S	437.198441	NA	MeJP	NA	NA
+PJ001450	GPQH 	C18H27N7O6	437.2023	NA	PeJP	NA	NA
+C07740	Disopyramide phosphate	C21H29N3O	437.208	NA	KEGG	NA	NA
+C07741	Transferred to D00638	C21H29N3O	437.208	NA	KEGG	NA	NA
+C07742	Transferred to D00639	C21H29N3O	437.208	NA	KEGG	NA	NA
+MJ063059	Triparanol 	C27H32ClNO2	437.212156	NA	MeJP	NA	NA
+MetaCyc03562	triparanol [1-(4-(2-(diethylamino)ethoxy)phenyl)-1-(p-tolyl)-2-(p- chlorophenyl)ethanol;1-(p-(&beta;-diethylaminoethoxy)phenyl)-1-(p-tolyl)-2-(p- chlorophenyl)ethanol;2-(p-chlorophenyl)-1-(p-(&beta;-diethylaminoethoxy)phenyl)-1-(p- tolyl)ethanol;2-p-chlorophenyl-1-(p-(2-diethylaminoethoxy)phenyl)-1-p- tolylethanol;metasqualene;&alpha;-(p-chlorobenzyl)-4-diethylaminoethoxy-4'-methylbenzhydrol;triparanolum;]	C27H32N1O2CL1	437.212157	NA	metacyc	NA	NA
+MJ063060	Homocitrullylaminoadenosine 	C17H27N9O5	437.213515	NA	MeJP	NA	NA
+C10589	Decaline	C26H31NO5	437.2202	NA	KEGG	NA	NA
+MJ063061	Lagerine; Me ether 	C26H31NO5	437.220223	NA	MeJP	NA	NA
+MJ063062	Megistophylline II 	C26H31NO5	437.220223	NA	MeJP	NA	NA
+MJ063063	Vertaline 	C26H31NO5	437.220223	NA	MeJP	NA	NA
+MJ063064	Verticillatine; 12,13-Dihydro, O21-Me 	C26H31NO5	437.220223	NA	MeJP	NA	NA
+MJ063065	Vertine, 12,13-Dihydro 	C26H31NO5	437.220223	NA	MeJP	NA	NA
+MJ063066	Vertine, 5-Epimer, 12,13-dihydro 	C26H31NO5	437.220223	NA	MeJP	NA	NA
+3219	calpain inhibitor	TIPPEYR	437.2205	MH2+	Inhouse_peptide	NA	peptide
+PJ001451	QKY 	C20H31N5O6	437.2274	NA	PeJP	NA	NA
+PJ001452	GAKY 	C20H31N5O6	437.2275	NA	PeJP	NA	NA
+MJ063067	4-[[2-[[[4-(Aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]benzeneacetic acid 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+MJ063068	7-Hydroxypleurocorine 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+MJ063069	Alpertine 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+MJ063070	Lunaridine 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+MJ063071	Lunarine 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+MJ063072	N1,N10-Dicoumaroylspermidine 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+MJ063073	N1,N5-Di-4-coumaroylspermidine 	C25H31N3O4	437.231456	NA	MeJP	NA	NA
+C10603	Lunarine	C25H31N3O4	437.2315	NA	KEGG	NA	NA
+PJ001453	GPKH 	C19H31N7O5	437.2387	NA	PeJP	NA	NA
+MJ063074	Delboxine; 8-O-de-Me 	C23H35NO7	437.241352	NA	MeJP	NA	NA
+MJ063075	Ibukinamine 	C23H35NO7	437.241352	NA	MeJP	NA	NA
+MJ063076	Sarracine; O-(3-Hydroxy-3-methylbutanoyl) 	C23H35NO7	437.241352	NA	MeJP	NA	NA
+MJ063077	Diphenethindole 	C29H31N3O	437.246712	NA	MeJP	NA	NA
+3761	dipeptidyl carboxypeptidase inhibitor	PPPK	437.25	ACE inhibitor	Inhouse_peptide	NA	peptide
+EUR831	Lyso PE 16:1 [M-H-CH3]-	C21H42NO7P	437.254242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR831	Lyso PE 16:1 [M-H-CH3]-	C21H42NO7P	437.254242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR831	Lyso PE 16:1 [M-H-CH3]-	C21H42NO7P	437.254242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR831	Lyso PE 16:1 [M-H-CH3]-	C21H42NO7P	437.254242	masses lipides attendues	Inhousejuil11	NA	NA
+MJ063078	Alletorphine 	C27H35NO4	437.256608	NA	MeJP	NA	NA
+MJ063079	Lythrancine I; 4-Deoxy 	C27H35NO4	437.256608	NA	MeJP	NA	NA
+MJ063080	Nantradol 	C27H35NO4	437.256608	NA	MeJP	NA	NA
+PJ001454	KKY 	C21H35N5O5	437.2638	NA	PeJP	NA	NA
+MJ063081	Isoleucylamiclenomycylglutamic acid; Amide 	C21H35N5O5	437.263819	NA	MeJP	NA	NA
+8164	antimicrobial peptide derived from aS1-casein (1-7)	RPKHPIK	437.2675	MH2+	Inhouse_peptide	NA	peptide
+MJ063082	21-Chloro-3-hydroxy-2-(4-morpholinyl)pregnan-20-one 	C25H40ClNO3	437.269671	NA	MeJP	NA	NA
+C13804	ORG 20599	C25H40ClNO3	437.2697	NA	KEGG	NA	NA
+MJ063083	10-Hydroxyperegrine; O-De-Ac 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063084	Acoseptrine; 10-Deoxy, 6-Me ether 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063085	Akirane; O-De-Ac 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063086	Dihydrogadesine; O1,O14-Di-Me, O6-de-Me 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063087	Dihydrogadesine; O1-Me 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063088	Neoline 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063089	Norerythrostachamide 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063090	Norerythrostachamine 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063091	Talatizamine; 10-Hydroxy 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063092	Talatizamine; 3?-Hydroxy 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+MJ063093	Virescenine; O14-Me 	C24H39NO6	437.277737	NA	MeJP	NA	NA
+HMDB11152	PE(P-16:0e/0:0)	C21H44NO6P	437.290619	NA	HMDB2010	NA	NA
+MJ063094	Aflavinine; 20?,25-Dihydroxy 	C28H39NO3	437.292994	NA	MeJP	NA	NA
+MJ063095	Terpendole F; 19-Deoxy 	C28H39NO3	437.292994	NA	MeJP	NA	NA
+MJ063096	Ussuriedine; O18-Me 	C28H39NO3	437.292994	NA	MeJP	NA	NA
+C15720	Lyngbyatoxin	C27H39N3O2	437.3042	NA	KEGG	NA	NA
+MJ063097	Indolactam V, 7-(3,7-Dimethyl-2,6-octadienyl) 	C27H39N3O2	437.304227	NA	MeJP	NA	NA
+MJ063098	Asmarine C 	C26H39N5O	437.31546	NA	MeJP	NA	NA
+MJ063099	Agelasine A; 18-Hydroxy 	C26H40N5O(+)	437.31546	NA	MeJP	NA	NA
+MJ063100	Agelasine I 	C26H40N5O(+)	437.31546	NA	MeJP	NA	NA
+2798	peptide toxic from alpha-gliadin	YPQPQPF	437.7015	MH2+	Inhouse_peptide	NA	peptide
+MJ063101	1,1,2,4-Tetrabromo-1-octen-3-one 	C8H10Br4O	437.746515	NA	MeJP	NA	NA
+MJ063102	1,1,8-Tribromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene 	C10H11Br3Cl2	437.778793	NA	MeJP	NA	NA
+MJ063103	2,5,6-Tribromo-N-methylgramine; 1'-N- Oxide 	C12H13Br3N2O	437.8578	NA	MeJP	NA	NA
+C11744	Salvarsan	C12H12As2N2O2	437.8864	NA	KEGG	NA	NA
+MJ063104	Okamurallene chlorohydrin 	C15H17Br2ClO3	437.923297	NA	MeJP	NA	NA
+MJ063105	Dysideathiazole; 10-Dechloro, N-Me 	C14H19Cl5N2OS	437.966072	NA	MeJP	NA	NA
+C11123	Pyrazolate	C19H16Cl2N2O4S	438.0208	NA	KEGG	NA	NA
+C08414	Glucolimnanthin	C15H20NO10S2	438.0529	NA	KEGG	NA	NA
+MJ063106	Epicorazine A; 6-Epimer, 2,3-dihydro, 3?-hydroxy 	C18H18N2O7S2	438.055542	NA	MeJP	NA	NA
+MJ063107	Bartramic acid 	C22H14O10	438.058696	NA	MeJP	NA	NA
+MJ063108	Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; 6,12-Di-Ac 	C22H14O10	438.058696	NA	MeJP	NA	NA
+MJ063109	Peniosanguin 	C26H14O7	438.073952	NA	MeJP	NA	NA
+MJ063110	5-[(2,4-Dioxo-5-thiazolidinyl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide 	C20H17F3N2O4S	438.086112	NA	MeJP	NA	NA
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR354	Flavine adenine dinucleotide F4	NA	438.089175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR354	Flavine adenine dinucleotide F4	NA	438.089175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR354	Flavine adenine dinucleotide F4	NA	438.089175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR354	Flavine adénine dinucléotide F4	F4	438.089175	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR354	Flavine adenine dinucleotide F4	NA	438.089175	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR354	Flavine adenine dinucleotide F4	F4	438.089175	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ063111	Riboflavine; 4',5'-Cyclic phosphate 	C17H19N4O8P	438.09405	NA	MeJP	NA	NA
+C16071	Riboflavin cyclic-4',5'-phosphate	C17H19N4O8P	438.0941	NA	KEGG	NA	NA
+C16072	Aliphatic nitrile	CNR	438.0941	NA	KEGG	NA	NA
+FL4DAANC0005	Hypnum acid methyl ester;3,5,7,4'-Tetrahydroxyflavanone 3'-(4-hydroxybenzoic acid methyl ester)	C23H18O9	438.09508	156024-79-2	knapsack	NA	NA
+MJ063112	9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 7'-Methoxy 	C23H18O9	438.095082	NA	MeJP	NA	NA
+MJ063113	Cadensin G; 3'-Demethoxy 	C23H18O9	438.095082	NA	MeJP	NA	NA
+MJ063114	Hypnum acid; Me ester 	C23H18O9	438.095082	NA	MeJP	NA	NA
+MJ063115	Dotefonium(1+), Bromide 	C20H27BrN2O2S	438.097661	NA	MeJP	NA	NA
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR445	Flavine Mononucleotide F3	NA	438.100275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR445	Flavine Mononucleotide F3	NA	438.100275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR445	Flavine Mononucleotide F3	NA	438.100275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR445	Flavine Mononucléotide F3	F3	438.100275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR445	Flavine Mononucleotide F3	NA	438.100275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR445	Flavine Mononucleotide F3	F3	438.100275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ001455	SCDD 	C14H22N4O10S	438.1057	NA	PeJP	NA	NA
+MJ063116	2,6-Dihydroxy-3-(2-hydroxybenzyl)benzoic acid; 5'-Hydroxy, 2'-O-?-D-glucopyranoside 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063117	2-Methyl-1,4-benzenediol; 4-O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063118	3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-L-Arabinopyranoside 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063119	3,4-Dihydroxybenzyl alcohol; 1'-O-(3,4-Dihydroxybenzoyl), 4-O-?-D-glucopyranoside 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063120	3-(3,4-Dihydroxyphenyl)-2-hydroxy-1-(2,3,4-trihydroxyphenyl)-1-propanone, 3'-O-?-D-Xylopyranoside 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063121	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 3'-Me ether 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063122	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(2,6-Di-O-acetyl-?-D-glucopyranoside) 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063123	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3,6-Di-O-acetyl-?-D-glucopyranoside) 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063124	Ammiol; O-?-D-Glucopyranoside 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063125	Equisetumpyrone; 4'-Me ether 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063126	Odontoside 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063127	Salicin; 6'-O-(3,4,5-Trihydroxybenzoyl) 	C20H22O11	438.116211	NA	MeJP	NA	NA
+MJ063128	Menispermacide 	C21H26O6S2	438.117079	NA	MeJP	NA	NA
+MJ063129	[3-(4,5-Diphenyl[2,4'-bioxazol]-5'-yl)phenoxy]acetic acid 	C26H18N2O5	438.121571	NA	MeJP	NA	NA
+PJ001456	GCEM 	C15H26N4O7S2	438.1243	NA	PeJP	NA	NA
+MJ063130	Speranculatine A; 5-Epimer, N1'-de-Me 	C19H22N2O10	438.127444	NA	MeJP	NA	NA
+MJ063131	Cystothiazole A; 14-Hydroxy 	C20H26N2O5S2	438.128313	NA	MeJP	NA	NA
+MJ063132	Cystothiazole A; 15-Hydroxy 	C20H26N2O5S2	438.128313	NA	MeJP	NA	NA
+MJ063133	Diethylmethyl[(10-phenothiazinylcarbonyl)methyl]ammonium(1+); Methyl sulfate 	C20H26N2O5S2	438.128313	NA	MeJP	NA	NA
+MJ063134	Melithiazoles; Melithiazole N, 11?,12-Dihydro 	C20H26N2O5S2	438.128313	NA	MeJP	NA	NA
+MJ063135	Spiraprilat 	C20H26N2O5S2	438.128313	NA	MeJP	NA	NA
+FLIFWYNF0003	Villinol	C24H22O8	438.13146	65160-17-0	knapsack	NA	NA
+MJ063136	4-Formyl-3,8-dihydroxy-9-methyl-1,6-bis(1-methyl-1-propenyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063137	Auranticin A; 1'''-Aldehyde 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063138	Benzo[1,2-b:4,5-b']bisbenzofuran-2,3,6,8,9,12-hexol; Hexa-Me ether 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063139	Conrauinone A 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063140	Desertorin A; 7,7'-Di-Me ether 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063141	Isokotanin A 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063142	Kotanin 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063143	Propolisbenzofuran B 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063144	Sumatrol; 6a,12a-Didehydro, 6?-methoxy 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063145	Thonningine C 	C24H22O8	438.131467	NA	MeJP	NA	NA
+MJ063146	Phlomiol 	C17H26O13	438.13734	NA	MeJP	NA	NA
+PJ001457	CMW 	C19H26N4O4S2	438.1396	NA	PeJP	NA	NA
+MJ063147	4-[2-(2-Benzoxazolylmethylamino)ethoxy]-?-(2,2,2-trifluoroethoxy)benzenepropanoic acid 	C21H21F3N2O5	438.140256	NA	MeJP	NA	NA
+MJ063148	Ambliol A; 15-Bromo, 8-oxo, Ac 	C22H31BrO4	438.140572	NA	MeJP	NA	NA
+PJ001458	SSDM 	C15H26N4O9S	438.1421	NA	PeJP	NA	NA
+MJ063149	Kopsifine 	C23H22N2O7	438.142701	NA	MeJP	NA	NA
+MJ063150	Isoplagiochin A; 10-Hydroxy 	C28H22O5	438.146723	NA	MeJP	NA	NA
+MJ063151	Marchantinquinone 	C28H22O5	438.146723	NA	MeJP	NA	NA
+MJ063152	Ptychantol A; 6'-Hydroxy 	C28H22O5	438.146723	NA	MeJP	NA	NA
+MJ063153	Ptychantol A; 8?-Hydroxy 	C28H22O5	438.146723	NA	MeJP	NA	NA
+MJ063154	Pranazepide 	C26H19FN4O2	438.149204	NA	MeJP	NA	NA
+MJ063155	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1,8,13-Tri-Ac 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063156	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8,10,13-Tri-Ac 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063157	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 13-Ac 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063158	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 14-Hydroxy, 8-(2-hydroxymethylpropenoyl), 13-Ac 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063159	15-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,8-diolide, 15-O-?-D-Glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063160	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8,10,13-Tri-Ac 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063161	7,7a-Dihydro-3,6,7-trihydroxy-1a-(3-methyl-2-butenyl)naphth[2,3-b]oxiren-2(1aH)-one; 3-O-?-D-Glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063162	7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone; 7-O-?-D-Glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063163	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063164	Bambusicolaside V 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063165	Bruceolide 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063166	Hamaudol, 3-O-?-D-Glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063167	Peucenin; 4'-?-D-(Glucopyranosyloxy) 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063168	Peucenin; 4'-Hydroxy, 7-O-?-D-glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+MJ063169	Secoeranthin; 4'-O-?-D-Glucopyranoside 	C21H26O10	438.152597	NA	MeJP	NA	NA
+C09465	Glaucolide B	C21H26O10	438.1526	NA	KEGG	NA	NA
+C17484	sec-o-Glucosylhamaudol	C21H26O10	438.1526	NA	KEGG	NA	NA
+MJ063170	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-O-(Hydrogen dithiocarbonate) 	C22H30O5S2	438.153465	NA	MeJP	NA	NA
+MJ063171	Thaxtomin A 	C22H22N4O6	438.153934	NA	MeJP	NA	NA
+PJ001459	GPCY 	C19H26N4O6S	438.1573	NA	PeJP	NA	NA
+MJ063172	Asterriquinone D; 2'-(3-Methyl-2-butenyl), di-O-de-Me 	C27H22N2O4	438.157957	NA	MeJP	NA	NA
+MJ063173	Asterriquinone D; 5'-(3-Methyl-2-butenyl), di-O-de-Me 	C27H22N2O4	438.157957	NA	MeJP	NA	NA
+MJ063174	Asterriquinone D; 6'-(3-Methyl-2-butenyl), di-O-de-Me 	C27H22N2O4	438.157957	NA	MeJP	NA	NA
+PJ001460	GTMM 	C16H30N4O6S2	438.1607	NA	PeJP	NA	NA
+MJ063175	1,2,3,4,6,7,8,12b-Octahydro-7-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-6-oxopyrido[2,1-a]benzazepine-4-carboxylic acid 	C24H26N2O4S	438.161328	NA	MeJP	NA	NA
+MJ063176	Methasquin 	C21H22N6O5	438.165167	NA	MeJP	NA	NA
+FL2FAANP0018	1'''-Hydroxy-2''',3'''-Epoxylupinifolin;5,4-Dihydroxy-8-(1-hydroxy-2,3-epoxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H26O7	438.16785	349491-03-8	knapsack	NA	NA
+FL3FAANI0008	5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-6-(2-hydroxy-3-methyl-3-butenyl)-4H-1-benzopyran-4-one	C25H26O7	438.16785	149182-50-3	knapsack	NA	NA
+FL3FALNP0008	Morusinol;Oxydihydromorusin;2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H26O7	438.16785	62949-93-3	knapsack	NA	NA
+FL3FALNP0017	Morusignin L;8-(2,4-Dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C25H26O7	438.16785	149733-95-9	knapsack	NA	NA
+FL5FACNF0002	Broussonol C;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one	C25H26O7	438.16785	370563-86-3	knapsack	NA	NA
+FL5FACNI0005	Broussonol E;Papyriflavonol A;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O7	438.16785	363134-28-5	knapsack	NA	NA
+FL5FACNI0006	Broussonol D;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C25H26O7	438.16785	370563-90-9	knapsack	NA	NA
+FL5FALNI0001	Kushenol C	C25H26O7	438.16785	99119-73-0	knapsack	NA	NA
+FLIAALNF0006	Lupinisoflavone J	C25H26O7	438.16785	121747-95-3	knapsack	NA	NA
+FLIAALNF0007	Lupinisoflavone I	C25H26O7	438.16785	121768-55-6	knapsack	NA	NA
+FLIAALNF0009	Lupinisoflavone H	C25H26O7	438.16785	121747-92-0	knapsack	NA	NA
+FLIAALNI0016	Lupinisol C	C25H26O7	438.16785	121748-01-4	knapsack	NA	NA
+FLIAALNI0017	Lupinisol B	C25H26O7	438.16785	121748-00-3	knapsack	NA	NA
+FLIAALNP0014	Lupinisolone C	C25H26O7	438.16785	121747-98-6	knapsack	NA	NA
+FLIAALNP0016	Lupinisolone B	C25H26O7	438.16785	121747-97-5	knapsack	NA	NA
+MJ063177	2',4',5,5',7-Pentahydroxy-3,6-diprenylflavone 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063178	2',4',5,5',7-Pentahydroxy-3,8-diprenylflavone 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063179	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063180	2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; ?3'''-Isomer, 2'''-hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063181	2',4',5,7-Tetrahydroxy-6,8-diprenylisoflavone; ?3''-Isomer, 2''-hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063182	Albanin C 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063183	Auriculatin; 1'',2''-Dihydro, 2''-hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063184	Cneorin C 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063185	Cudraflavone B; 2'',3''-Dihydro, 3''-hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063186	Erysenegalensein O 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063187	Euchrenone b10; 2'-Hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063188	Garvalone B 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063189	Isochandalone; 2',3''-Dihydroxy, 2'',3''-dihydro 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063190	Kushenol C 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063191	Lupinisoflavone E 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063192	Lupinisoflavone G; 2'-Hydroxy 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063193	Lupinisoflavone I 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063194	Lupinisoflavone J 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063195	Lupinisol C 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063196	Lupinisolone B 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063197	Lupinisolone C 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063198	Morusinol 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063199	Mulberranol 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063200	Sanggenol F 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063201	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',4,4'',6'-Penta-Me ether, 5'-Ac 	C25H26O7	438.167853	NA	MeJP	NA	NA
+MJ063202	Siphonodictyal D 	C22H30O7S	438.171224	NA	MeJP	NA	NA
+PJ001461	QEY 	C19H26N4O8	438.1751	NA	PeJP	NA	NA
+PJ001462	STTM 	C16H30N4O8S	438.1784	NA	PeJP	NA	NA
+MJ063203	6-(3-Methyl-2-butenyl)-1-phenazinecarboxylic acid; 6-Deoxy-?-L-talopyranosyl ester 	C24H26N2O6	438.179086	NA	MeJP	NA	NA
+MJ063204	Kopsijasmine, 11,12-Methylenedioxy 	C24H26N2O6	438.179086	NA	MeJP	NA	NA
+MJ063205	Suxibuzone 	C24H26N2O6	438.179086	NA	MeJP	NA	NA
+C15305	9-Chloro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate	C23H31ClO6	438.1809	NA	KEGG	NA	NA
+MJ063206	Punaglandin 7 	C23H31ClO6	438.180916	NA	MeJP	NA	NA
+MJ063207	2,4-Bis(4-hydroxybenzyl)-5-methoxy-3-(2-phenylethenyl)phenol 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063208	Marchantin C; 1'-Me ether 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063209	Marchantin C; 11-Deoxy, 13-methoxy 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063210	Marchantin C; 11-Me ether 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063211	Neomarchantin A; 12'-Me ether 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063212	Plagiochin D 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063213	Riccardin A 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063214	Riccardin C; 9-Me ether 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063215	Riccardin D; O1'-Me 	C29H26O4	438.183109	NA	MeJP	NA	NA
+MJ063216	Riccardin D; O13-Me 	C29H26O4	438.183109	NA	MeJP	NA	NA
+PJ001463	GPEH 	C18H26N6O7	438.1863	NA	PeJP	NA	NA
+MJ063217	3,8,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl, 9-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063218	8,17-Epoxy-2,3,9,14-tetrahydroxy-12-oxo-5-briaren-18,7-olide; 2-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063219	8,9,10,15-Tetrahydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(3-Methylbutanoyl), 9-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063220	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 4?,5-Dihydro, 8-(2-methylpropanoyl), 9-Ac, Me ester 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063221	9'-(3-Hydroxy-3-methylglutaroyloxy)abscisic acid; 5'-Me ester 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063222	Glaucarubol; 15-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063223	Glaucarubol; ?4-Isomer, 15-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063224	Klaineanone; 14?,15?-Dihydroxy, 15-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063225	Klaineanone; 6?,15?-Dihydroxy, 15-Ac 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063226	Neosolaniol; 8-Propanoyl 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063227	Phlebotrichin 	C22H30O9	438.188982	NA	MeJP	NA	NA
+MJ063228	Teucrolin D 	C22H30O9	438.188982	NA	MeJP	NA	NA
+8037	synthetic peptide	PHW	438.189	antibacterial	Inhouse_peptide	NA	peptide
+8043	synthetic peptide	PWH	438.189	antioxidative	Inhouse_peptide	NA	peptide
+PJ001464	AYW 	C23H26N4O5	438.1903	NA	PeJP	NA	NA
+7851	NA	YGGFMRF	438.1912	MH2+	Inhouse_peptide	NA	peptide
+PJ001465	AAMF 	C20H30N4O5S	438.1937	NA	PeJP	NA	NA
+MJ063229	Ochrindole A; O1-De-Me 	C28H26N2O3	438.194342	NA	MeJP	NA	NA
+MJ063230	Mirincamycin 	C19H35ClN2O5S	438.19552	NA	MeJP	NA	NA
+3767	dipeptidyl carboxypeptidase inhibitor	PPEP	438.198	ACE inhibitor	Inhouse_peptide	NA	peptide
+3777	dipeptidyl carboxypeptidase inhibitor	PPPE	438.198	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001466	PHW 	C22H26N6O4	438.2016	NA	PeJP	NA	NA
+MJ063231	N,N'-Bis(4-amino-2-methyl-6-quinolinyl)-1,3,5-triazin-2,4,6-triamine 	C23H22N10	438.20289	NA	MeJP	NA	NA
+C17446	Kurarinone	C26H30O6	438.2042	NA	KEGG	NA	NA
+FL1C28NI0002	Homoflemingin	C26H30O6	438.20423	18296-15-6	knapsack	NA	NA
+FL1CA8NI0001	Flemiwallichin C	C26H30O6	438.20423	68027-38-3	knapsack	NA	NA
+FL1CADNI0001	Antiarone D	C26H30O6	438.20423	130756-17-1	knapsack	NA	NA
+FL1CAENI0001	Antiarone E	C26H30O6	438.20423	130756-18-2	knapsack	NA	NA
+FL1CAENI0002	Antiarone C	C26H30O6	438.20423	130756-16-0	knapsack	NA	NA
+FL1CALNI0002	Kuraridin	C26H30O6	438.20423	34981-25-4	knapsack	NA	NA
+FL2FA8NI0003	Exiguaflavanone B	C26H30O6	438.20423	142608-99-9	knapsack	NA	NA
+FL2FA8NI0004	Exiguaflavanone F	C26H30O6	438.20423	149725-19-9	knapsack	NA	NA
+FL2FABNI0009	Burttinone;5,7-Dihydroxy-4'-methoxy-3'-prenyl-5'-[(3-methyl-2-butenyl)phenyl]flavanone	C26H30O6	438.20423	213819-43-3	knapsack	NA	NA
+FL2FADNI0003	Hiravanone;(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C26H30O6	438.20423	126199-36-8	knapsack	NA	NA
+FL2FAENI0001	4'-O-Methyldiplacone	C26H30O6	438.20423	-	knapsack	NA	NA
+FL2FALNI0003	Isokurarinone	C26H30O6	438.20423	52483-02-0	knapsack	NA	NA
+FL2FALNI0005	Flemiflavanone A	C26H30O6	438.20423	71306-29-1	knapsack	NA	NA
+FL2FALNI0007	Leachianone A	C26H30O6	438.20423	97938-31-3	knapsack	NA	NA
+FL2FALNI0020	Leachianone B	C26H30O6	438.20423	138870-83-4	knapsack	NA	NA
+FL2FALNI0026	Maackiaflavanone	C26H30O6	438.20423	156162-10-6	knapsack	NA	NA
+FL2FALNI0033	(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone	C26H30O6	438.20423	460345-18-0	knapsack	NA	NA
+FL2FALNI0038	Kurarinone;7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone	C26H30O6	438.20423	34981-26-5	knapsack	NA	NA
+FL2FCCNI0001	Amoradicin	C26H30O6	438.20423	83677-03-6	knapsack	NA	NA
+FL4DBANI0002	Bonanniol B	C26H30O6	438.20423	96917-37-2	knapsack	NA	NA
+FLIBALNI0004	Isosophoranone	C26H30O6	438.20423	64280-18-8	knapsack	NA	NA
+FLIBALNI0005	Sophoraisoflavanone B	C26H30O6	438.20423	77369-91-6	knapsack	NA	NA
+MJ063232	2',3,4,4',6'-Pentahydroxy-2,3'-diprenylchalcone, 3-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063233	2',3,4,4',6'-Pentahydroxy-2,3'-diprenylchalcone, 4-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063234	2',3,4,4',6'-Pentahydroxy-2,5-diprenylchalcone, 4-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063235	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone, 2'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063236	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone, 7-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063237	2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone, 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063238	2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone, 2'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063239	2',4',5,7-Tetrahydroxy-5',6-diprenylisoflavanone; 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063240	2',4',5,7-Tetrahydroxy-5',8-diprenylflavanone, 7-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063241	2',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063242	2',5,5',7-Tetrahydroxy-8-lavandulylflavanone, 7-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063243	3',4',5,7-Tetrahydroxy-2',5'-diprenylflavanone, 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063244	3',4',5,7-Tetrahydroxy-2',6-diprenylflavanone, 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063245	3',4',5,7-Tetrahydroxy-2',8-diprenylflavanone, 3'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063246	3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 3'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063247	3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 7-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063248	3,4-Dihydro-5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methyl-2-butenyl)-4-oxo-?-phenyl-2H-1-benzopyran-8-propanoic acid 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063249	3,6a,9-Trihydroxy-2,10-diprenylpterocarpan; 1-Methoxy 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063250	4',5,7-Trihydroxy-3',5'-diprenylflavanone, ?1''-Isomer, 3''-hydroxy, 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063251	5'-(1,1-Dimethyl-2-propenyl)-2',4',5,7-tetrahydroxy-6-prenylisoflavanone; 2'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063252	5'-Geranyl-2',4',5,7-tetrahydroxyflavanone, 4'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063253	7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin, 1',2'-Didehydro, 3'-ketone 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063254	7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin, 3'-Ketone, 1',2'-didehydro 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063255	7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063256	Bonannione A; 3R-Hydroxy, 5-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063257	Cedrelone; 11?-Hydroxy 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063258	Cedrelone; 11?-Hydroxy 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063259	Debromohydroxymarinone; 13-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063260	Desmodianone C 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063261	Diplacone, 3'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063262	Exiguaflavanone A; 7-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063263	Flemiwallichin C 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063264	Gedunin; 7-Deacetoxy, 7-ketone 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063265	Homoflemingin 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063266	Kenusanone H; 2'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063267	Kuraridin 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063268	Kushenol F; 2'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063269	Leachianone B 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063270	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 6'-Ketone, O-Ac 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063271	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone, 6'-Ac 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063272	Pterochromene L3 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063273	Sophoraflavanone G; 2'-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063274	Sophoraflavanone G; 2-Epimer, 5-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+MJ063275	Sophoraflavanone G; 5-Me ether 	C26H30O6	438.204238	NA	MeJP	NA	NA
+PJ001467	KEY 	C20H30N4O7	438.2115	NA	PeJP	NA	NA
+MJ063276	Hypercratine 	C25H30N2O5	438.215472	NA	MeJP	NA	NA
+MJ063277	Obscurinervine 	C25H30N2O5	438.215472	NA	MeJP	NA	NA
+MJ063278	Quinaprilat; Et ester 	C25H30N2O5	438.215472	NA	MeJP	NA	NA
+MJ063279	Vincamajine; 10-Methoxy, O-Ac 	C25H30N2O5	438.215472	NA	MeJP	NA	NA
+MJ063280	Vincamajine; 11-Methoxy, O-Ac 	C25H30N2O5	438.215472	NA	MeJP	NA	NA
+C07398	Quinapril	C25H30N2O5	438.2155	NA	KEGG	NA	NA
+MJ063281	5,7-Diethyl-3,4-dihydro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,6-naphthyridin-2(1H)-one 	C26H26N6O	438.216809	NA	MeJP	NA	NA
+CJneg0598	Pantothenic acid [(2M-H)]-	C18H33N2O10	438.221925	C18rt(min)=4.77 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0598	Pantothenic acid [(2M-H)]-	C18H33N2O10	438.221925	C18rt(min)=4.77 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ001468	TRY 	C19H30N6O6	438.2227	NA	PeJP	NA	NA
+MJ063282	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2-Hydroxyoctanoyl) 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063283	1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063284	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylpropanoyl) 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063285	7,20-Epoxy-1,6,7,11,17-pentahydroxy-15-kauranone, 17-Me ether, 1-Ac 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063286	7,20-Epoxy-6,7,11,17,19-pentahydroxy-15-kauranone, 17-Me ether, 19-Ac 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063287	7,20-Epoxy-6,7,12,17,19-pentahydroxy-15-kauranone, 19-Ac, 17-Me ether 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063288	Lasiokaurinin 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063289	Pyrolagenin; 1-O-?-D-Glucopyranoside 	C23H34O8	438.225368	NA	MeJP	NA	NA
+MJ063290	Octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-4H-isoindol-4-one 	C29H30N2O2	438.230728	NA	MeJP	NA	NA
+C14880	16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with	C27H34O5	438.2406	NA	KEGG	NA	NA
+FLICALNI0002	7-O-Methyllicoricidin;Licorisoflavan A;(+)-2',4'-Dihydroxy-5,7-dimethoxy-6,3'-diprenylisoflavan	C27H34O5	438.24062	129314-37-0	knapsack	NA	NA
+MJ063291	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavan, 5,7-Di-Me ether 	C27H34O5	438.240624	NA	MeJP	NA	NA
+MJ063292	2,3,22-Trihydroxy-23,24,29-trinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form 	C27H34O5	438.240624	NA	MeJP	NA	NA
+MJ063293	Arisugacin E; 3-Epimer, 4a-deoxy 	C27H34O5	438.240624	NA	MeJP	NA	NA
+MJ063294	Lathyrol; 5-Epimer, ?6-isomer (Z-), 15-benzoyl 	C27H34O5	438.240624	NA	MeJP	NA	NA
+MJ063295	Scopadulcic acid A; Deoxy, 4-epimer 	C27H34O5	438.240624	NA	MeJP	NA	NA
+MJ063296	Tricoccin S43 	C27H34O5	438.240624	NA	MeJP	NA	NA
+MJ063297	Drocinonide 	C24H35FO6	438.241767	NA	MeJP	NA	NA
+MJ063298	N-[4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]-4-quinolinecarboxamide 	C28H30N4O	438.241961	NA	MeJP	NA	NA
+MJ063299	1,4-Bis[2-(diethylamino)ethoxy]anthraquinone 	C26H34N2O4	438.251857	NA	MeJP	NA	NA
+PJ001469	GLLH 	C20H34N6O5	438.2591	NA	PeJP	NA	NA
+MJ063300	13,14,15-Trihydroxy-1(10)-halimen-18-oic acid, 14,15-Di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063301	17,18,19-Trihydroxy-2,14-phytadien-20,1-olide, 18,19-Di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063302	2,6,10,14-Phytatetraene-1,16,18,19,20-pentol, 18,19-Di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063303	3(16)-Fusicoccene-4,8,9,14,18-pentol, 8,18-Di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063304	4,6,8,10-Tetrahydroxy-9-daucanone, 6-(2-Methylpropanoyl),10-angeloyl 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063305	6,13-Epoxy-3-eunicellene-8,9,12-triol, 3?,4?-Epoxide, 9,12-di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063306	8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 1,6-Di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063307	8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 6,11-Di-Ac 	C24H38O7	438.261753	NA	MeJP	NA	NA
+MJ063308	Sacculaplagin 	C24H38O7	438.261753	NA	MeJP	NA	NA
+2665	synthetic fr, of human beta-CN (126-129) ACE inhibitor	LPLP	438.272	NA	Inhouse_peptide	NA	peptide
+HMDB07850	LPA(0:0/18:0)	C21H43O7P	438.274628	NA	HMDB2010	NA	NA
+HMDB07854	LPA(18:0/0:0)	C21H43O7P	438.274628	NA	HMDB2010	NA	NA
+MJ063309	1,16-Bis(3,5-dihydroxyphenyl)-6,9-hexadecadiene 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063310	17,19,22,24-Tetrahydroxyturriane; 4,5-Didehydro, 17,22-di-Me ether 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063311	17,19,22,24-Tetrahydroxyturriane; 6,7-Didehydro, 17,22-di-Me ether 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063312	2,15-Dihydroxy-24,28-dinor-1,4,12-oleanatriene-3,16-dione; 15?-form 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063313	2,3-Dihydroxy-24,29-dinor-1,3,5(10)-friedelatriene-6,21-dione 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063314	27-Hydroxy-3-oxowitha-1,4,24-trienolide 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063315	3,22-Dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-2,21-dione; 22?-form 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063316	3-Hydroxyfuranoeremophilan-9-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063317	4,4'-Biphenyldicarboxylic acid; Diheptyl ester 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063318	Antibiotic Mer-NF 8054X; 5-Deoxy, 4,5-didehydro, 3-ketone 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063319	Blazeispirol X 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063320	Canaradial 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063321	Canarol; 7?-Hydroxy 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063322	Claraenone 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063323	Cystoketal 	C28H38O4	438.277009	NA	MeJP	NA	NA
+MJ063324	Tingenin A; 7,8?-Dihydro, 7?-hydroxy 	C28H38O4	438.277009	NA	MeJP	NA	NA
+C09229	Ochrolifuanine A	C29H34N4	438.2783	NA	KEGG	NA	NA
+MJ063325	Ochrolifuanines 	C29H34N4	438.278347	NA	MeJP	NA	NA
+PJ001470	PPLL 	C22H38N4O5	438.2842	NA	PeJP	NA	NA
+MJ063326	Stearylsulfamide 	C24H42N2O3S	438.291613	NA	MeJP	NA	NA
+MJ063327	Inogatran 	C21H38N6O4	438.295453	NA	MeJP	NA	NA
+MJ063328	10-Aromadendranol, O-[2-Methylpropanoyl-(?2)-?-D-fucopyranoside] 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063329	13-Hydroxy-15-isocopalanoic acid, 2-Acetoxy-3-hydroxypropyl ester 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063330	13-Hydroxy-15-isocopalanoic acid, 3-Acetoxy-2-hydroxypropyl ester 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063331	2,3,4-Trihydroxy-15-clerodanoic acid, 2-Angeloyl 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063332	4-Cubebanol, O-[4-O-(2-Methylbutanoyl)-?-D-xylopyranoside] 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063333	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-O-(2-hydroxy-2-methylbutanoyl) 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063334	8,14-Labdadiene-13,17-diol; 13?-form, 17-O-?-L-Xylopyranoside 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063335	Arenolide 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063336	Herboxidiene 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063337	Stemodin; 16-O-?-L-Arabinopyranoside 	C25H42O6	438.298139	NA	MeJP	NA	NA
+MJ063338	Bryophollone 	C29H42O3	438.313395	NA	MeJP	NA	NA
+MJ063339	Caloncobalactone 	C29H42O3	438.313395	NA	MeJP	NA	NA
+MJ063340	Pfaffic acid; 3-Ketone 	C29H42O3	438.313395	NA	MeJP	NA	NA
+MJ063341	Salacenonal 	C29H42O3	438.313395	NA	MeJP	NA	NA
+HMDB02498	Taurochenodeoxycholate-7-sulfate	C26H46O3S	438.31677	http://www.hmdb.ca/metabolites/HMDB02498	HMDB	NA	NA
+HMDB02498	Taurochenodeoxycholate-7-sulfate	C26H46O3S	438.31677	HMDB02498	PFEM_hmdb_metabocards_official	NA	NA
+MJ063342	3,20-Diaminopregna-2,16-dien-4-one, N20,N20-di-Me,N3-tigloyl 	C28H42N2O2	438.324628	NA	MeJP	NA	NA
+MJ063343	3,20-Diaminopregna-5,14-dien-4-one, N20,N20-Di-Me, N3-angeloyl 	C28H42N2O2	438.324628	NA	MeJP	NA	NA
+MJ063344	12,19-Epithio-12,18-oleanadiene 	C30H46S	438.332022	NA	MeJP	NA	NA
+MJ063345	27-Norcholestane-3,7,12,24,26-pentol 	C26H46O5	438.334524	NA	MeJP	NA	NA
+MJ063346	8(17)-Labden-15-ol, O-?-L-Rhamnopyranoside 	C26H46O5	438.334524	NA	MeJP	NA	NA
+HMDB02126	27-nor-5b-cholestane-3a,7a,12a,24,25-pentol	C26H46O5	438.33453	http://www.hmdb.ca/metabolites/HMDB02126	HMDB	NA	NA
+HMDB02126	27-nor-5b-cholestane-3a,7a,12a,24,25-pentol	C26H46O5	438.33453	HMDB02126	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02126	27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol	C26H46O5	438.334534	NA	HMDB2010	NA	NA
+MJ063347	11,12-Epoxy-14-taraxeren-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063348	12-Lupene-3,28-diol, 3-Ketone, 28-Aldehyde 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063349	12-Oleanene-1,3-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063350	12-Oleanene-3,11-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063351	12-Oleanene-3,16-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063352	12-Oleanene-3,28-diol, 28-Aldehyde, 3-ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063353	12-Ursene-3,11-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063354	12-Ursene-3,28-diol, 28-Aldehyde, 3-ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063355	13,28-Epoxy-11-oleanen-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063356	13,28-Epoxy-11-ursen-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063357	14-Serratene-3,21-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063358	14-Taraxerene-3,16-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063359	15,17(21)-Hopadiene-3,6-diol, 6-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063360	16,23-Epoxycycloart-24-en-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063361	16,23-Epoxylanosta-8,24-dien-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063362	19-Trachylobanoic acid; ent-form, Thujyl ester 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063363	2,4(23)-Friedeladien-29-oic acid 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063364	20(29)-Lupene-1,3-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063365	20(29)-Lupene-3,24-diol, 24-Carboxylic acid, 24?3 lactone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063366	20(29)-Lupene-3,28-diol, 28-O-Aldehyde, 3-O-ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063367	20(30)-Lupene-3,29-diol, 3-Ketone, 29-aldehyde 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063368	20(30)-Taraxastene-3,16-diol, 3,16-Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063369	21,23-Epoxycycloart-24-en-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063370	21,23-Epoxytirucalla-7,24-dien-3-ol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063371	21-Hopene-3,20-dione 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063372	21-Hydroxy-20(29)-lupen-3-one; 21?-form, 21-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063373	22,25-Epoxylanosta-7,9(11)-dien-3-one 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063374	25(9?8)-Abeo-3-oxo-4(23)-friedelen-24-al 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063375	3,22-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 22-Deoxy 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063376	3-Hydroxy-12,20-ursadien-11-one 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063377	3-Hydroxy-22(29)-hopen-24-oic acid, 24?3 Lactone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063378	3-Oxo-19(21)-lupen-28-al 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063379	3-Oxo-20,24-dammaradien-26-al 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063380	3-Oxo-9(11)-lupen-28-al 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063381	3-Oxotirucalla-7,24-dien-21-al 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063382	5,7,9(11)-Multifloratriene-3,29-diol; 3?-form 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063383	7,14(27)-Onoceradiene-3,21-dione 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063384	9(11)-Fernene-3,12-diol, 3,12-Dione 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063385	Cycloart-20-ene-3,24-dione 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063386	Cycloart-24-ene-3,21-diol, 21-Aldehyde, 3-ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063387	Cycloart-24-ene-3,23-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063388	Cycloart-24-ene-3,26-diol, 3-Ketone, 26-aldehyde 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063389	Glyptopetolide 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063390	Lanosta-7,9(11),24-triene-3,21-diol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063391	Lanosta-7,9(11),24-triene-3,26-diol, 3-Ketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063392	Lanosta-8,24-diene-3,22-diol, Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063393	Mokupalide 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063394	Tirucalla-7,24-diene-3,23-diol, 3,23-Diketone 	C30H46O2	438.34978	NA	MeJP	NA	NA
+MJ063395	Amphiasterin B3 	C27H50O4	438.37091	NA	MeJP	NA	NA
+MJ063396	24,24,26,26-Tetramethylcholesta-5,25(27)-dien-3-ol, 22,23-Didehydro (E-) 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063397	24-Isopropenyl-25-methylcholesta-5,22-dien-3-ol 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063398	24-Isopropenyl-4-methylcholesta-7,22-dien-3-ol 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063399	24-Methylcycloart-25-en-3-ol, 3-Ketone 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063400	24-Methylcycloarta-20(22),25-dien-3-ol 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063401	24-Methylenecycloartan-3-ol, 3-Ketone 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063402	24-Methylenelanost-8-en-3-ol, 3-Ketone 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063403	24-Methylenelanosta-7,9(11)-dien-3-ol 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063404	24-Methyllanosta-20,25-dien-3-one 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063405	24-Methyllanosta-9(11),25-dien-3-one 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063406	Coffeasterene 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063407	Neocyclonervilasterol 	C31H50O	438.386166	NA	MeJP	NA	NA
+MJ063408	11-Oxooctacosanoic acid 	C28H54O3	438.407295	NA	MeJP	NA	NA
+MJ063409	14-Oxooctacosanoic acid 	C28H54O3	438.407295	NA	MeJP	NA	NA
+MJ063410	27-Oxooctacosanoic acid 	C28H54O3	438.407295	NA	MeJP	NA	NA
+MJ063411	9-Oxooctacosanoic acid 	C28H54O3	438.407295	NA	MeJP	NA	NA
+MJ063412	Braunicene 	C32H54	438.422551	NA	MeJP	NA	NA
+MJ063413	C32 Botryococcene 	C32H54	438.422551	NA	MeJP	NA	NA
+MJ063414	Isobraunicene 	C32H54	438.422551	NA	MeJP	NA	NA
+MJ063415	Budmunchiamine A; N9-De-Me 	C26H54N4O	438.429762	NA	MeJP	NA	NA
+MJ063416	14-Hydroxy-15-nonacosanone 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063417	15-Hydroxy-14-nonacosanone 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063418	16-Hydroxy-14-nonacosanone 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063419	2,14,20-Trimethylhexacosanoic acid 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063420	2,4,6-Trimethylhexacosanoic acid 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063421	26-Methyloctacosanoic acid 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063422	27-Methyloctacosanoic acid 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063423	29-Hydroxy-3-nonacosanone 	C29H58O2	438.443681	NA	MeJP	NA	NA
+MJ063424	Nonacosanoic acid 	C29H58O2	438.443681	NA	MeJP	NA	NA
+HMDB02230	Nonacosanoic acid	C29H58O2	438.443695	NA	HMDB2010	NA	NA
+HMDB02230	Nonacosanoic acid	C29H58O2	438.4437	http://www.hmdb.ca/metabolites/HMDB02230	HMDB	NA	NA
+HMDB02230	Nonacosanoic acid	C29H58O2	438.4437	HMDB02230	PFEM_hmdb_metabocards_official	NA	NA
+MJ063425	1-Methoxy-2,14-dimethylheptacosane 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063426	1-Methoxy-2,16-dimethylheptacosane 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063427	1-Methoxy-2,24-dimethylheptacosane 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063428	1-Methoxy-26-methyloctacosane 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063429	1-Triacontanol 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063430	10-Triacontanol 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063431	11-Triacontanol 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063432	2-Triacontanol 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063433	27-Methyl-1-nonacosanol 	C30H62O	438.480066	NA	MeJP	NA	NA
+MJ063434	3-Methyl-1-nonacosanol 	C30H62O	438.480066	NA	MeJP	NA	NA
+C08392	Triacontan-1-ol	C30H62O	438.4801	NA	KEGG	NA	NA
+MJ063435	Polythiazide 	C11H13ClF3N3O4S3	438.97088	NA	MeJP	NA	NA
+C07766	Polythiazide	C11H13ClF3N3O4S3	438.9709	NA	KEGG	NA	NA
+MJ063436	3-(Methylthio)propyl glucosinolate; S,S-Dioxide 	C11H21NO11S3	439.027672	NA	MeJP	NA	NA
+C08405	Glucocheirolin	C11H21NO11S3	439.0277	NA	KEGG	NA	NA
+MJ063437	2-Hydroxy-2-phenylethyl glucosinolate 	C15H21NO10S2	439.060687	NA	MeJP	NA	NA
+MJ063438	3-Hydroxybenzyl glucosinolate; Me ether 	C15H21NO10S2	439.060687	NA	MeJP	NA	NA
+MJ063439	4-Hydroxybenzyl glucosinolate; 4-Me ether 	C15H21NO10S2	439.060687	NA	MeJP	NA	NA
+C17273	Glucoaubrietin	C15H21NO10S2	439.0607	NA	KEGG	NA	NA
+C17274	Glucobarbarin	C15H21NO10S2	439.0607	NA	KEGG	NA	NA
+MJ063440	Althiomycin 	C16H17N5O6S2	439.062024	NA	MeJP	NA	NA
+MJ063441	Fibrostatins; Fibrostatin F 	C19H21NO9S	439.093701	NA	MeJP	NA	NA
+PJ001471	SCCQ 	C14H25N5O7S2	439.1196	NA	PeJP	NA	NA
+MJ063442	2,10,13-Trihydroxydibenzo[a,g]quinolizinium(1+); 10-O-Glucopyranoside 	C23H22NO8(+)	439.126716	NA	MeJP	NA	NA
+MJ063443	Aureonuclemycin; Me ester 	C17H21N5O9	439.133927	NA	MeJP	NA	NA
+PJ001472	GSSSC 	C14H25N5O9S	439.1373	NA	PeJP	NA	NA
+MJ063444	Galocitabine 	C19H22FN3O8	439.139092	NA	MeJP	NA	NA
+MJ063445	Stephania Base A 	C21H26ClNO7	439.139779	NA	MeJP	NA	NA
+PJ001473	GCNF 	C18H25N5O6S	439.1526	NA	PeJP	NA	NA
+MJ063446	2,3,9,10,11,12-Hexahydro-10-hydroxy-10-(hydroxymethyl)-9-methyl-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-l][1,6]benzodiazocin-1-one 	C26H21N3O4	439.153206	NA	MeJP	NA	NA
+PJ001474	SCCK 	C15H29N5O6S2	439.1559	NA	PeJP	NA	NA
+PJ001475	EEY 	C19H25N3O9	439.1591	NA	PeJP	NA	NA
+MJ063447	Bulleyanaline 	C24H25NO7	439.163102	NA	MeJP	NA	NA
+MJ063448	Estramustine 	C23H31Cl2NO3	439.168099	NA	MeJP	NA	NA
+C11228	Estramustine	C23H31Cl2NO3	439.1681	NA	KEGG	NA	NA
+PJ001476	GSNY 	C18H25N5O8	439.1703	NA	PeJP	NA	NA
+MJ063449	5-[[[4'-[Imino[(methoxycarbonyl)amino]methyl][1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid, Me ester 	C23H25N3O6	439.174335	NA	MeJP	NA	NA
+7910	synthetic peptide	FHH	439.184	antioxidative	Inhouse_peptide	NA	peptide
+7912	synthetic peptide	HFH	439.184	antioxidative	Inhouse_peptide	NA	peptide
+7915	synthetic peptide	HHF	439.184	antioxidative	Inhouse_peptide	NA	peptide
+PJ001477	HHF 	C21H25N7O4	439.1968	NA	PeJP	NA	NA
+MJ063450	2,3,4,6,7-Pentamethoxyphenanthroindolizidine; 14-Hydroxy 	C25H29NO6	439.199487	NA	MeJP	NA	NA
+MJ063451	Gerambullin; 5',12-Dihydroxy, 2',3'-dihydro 	C22H33NO6S	439.202858	NA	MeJP	NA	NA
+MJ063452	Gerambullin; 6',7'-Dihydroxy, 6',7'-dihydro 	C22H33NO6S	439.202858	NA	MeJP	NA	NA
+8283	antioxidative peptide	NHAV	439.2059	NA  ;SYN:(+/-)-2-Aminoadipate; (+/-)-2-Aminoadipic acid; 2-Aminoadipate; 2-Aminoadipic acid; Aminoadipate; DL-2-Aminoadipate; DL-2-Aminoadipic acid; DL-2-Aminohexanedioate; DL-2-Aminohexanedioic acid; DL-a-Aminoadipate; DL-a-Aminoadipic acid; a-Aminoadipate; a-Aminoadipic acid; alpha-Amino-adipic acid; DL-alpha-Aminoadipate; DL-alpha-Aminoadipic acid; alpha-Aminoadipate; alpha-Aminoadipic acid; L-2-aminoadipate; L-alpha-Aminoadipate; L-alpha-Aminoadipic acid; L-2-Aminoadipic acid; L-2-Aminohexanedioate; L-2-Aminohexanedioic acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+MJ063453	Gymnastatin D 	C23H34ClNO5	439.21255	NA	MeJP	NA	NA
+MJ063454	Gymnastatin E 	C23H34ClNO5	439.21255	NA	MeJP	NA	NA
+MJ063455	Pivmecillinam 	C21H33N3O5S	439.214091	NA	MeJP	NA	NA
+8064	synthetic peptide	RHQ	439.217	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001478	GVQH 	C18H29N7O6	439.218	NA	PeJP	NA	NA
+C10357	Parsonsine	C22H33NO8	439.2206	NA	KEGG	NA	NA
+MJ063456	Echimidine; 3'-Ac 	C22H33NO8	439.220617	NA	MeJP	NA	NA
+MJ063457	Heliosupine; 3'-Ac 	C22H33NO8	439.220617	NA	MeJP	NA	NA
+MJ063458	Parsonsianidine; 14-Deoxy 	C22H33NO8	439.220617	NA	MeJP	NA	NA
+MJ063459	Parsonsine 	C22H33NO8	439.220617	NA	MeJP	NA	NA
+MJ063460	2-Amino-3-hydroxy-2-(hydroxymethyl)-12-oxooctadecanoic acid; 3-O-Sulfate 	C19H37NO8S	439.223987	NA	MeJP	NA	NA
+PJ001479	QHR 	C17H29N9O5	439.2292	NA	PeJP	NA	NA
+MJ063461	Oxaprazine 	C25H33N3O2S	439.229348	NA	MeJP	NA	NA
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR479	Leukotriene E4 F1	NA	439.235525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR479	Leukotriene E4 F1	NA	439.235525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR479	Leukotriene E4 F1	NA	439.235525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR479	Leukotriene E4 F1	NA	439.235525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR479	Leukotriene E4 F1	F1	439.235525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ063462	Salicylihalamide A 	C26H33NO5	439.235873	NA	MeJP	NA	NA
+C12334	Militarinone B	C26H33NO5	439.2359	NA	KEGG	NA	NA
+MJ063463	Revenast 	C27H29N5O	439.23721	NA	MeJP	NA	NA
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.2392	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.2392	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.2392	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.2392	Wishlist	Inhousejuil11	NA	NA
+C05952	Leukotriene E4	C23H37NO5S	439.2392	NA	KEGG	NA	NA
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	http://www.hmdb.ca/metabolites/HMDB02200	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	http://www.hmdb.ca/metabolites/HMDB02200	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	http://www.hmdb.ca/metabolites/HMDB02200	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	http://www.hmdb.ca/metabolites/HMDB02200	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	http://www.hmdb.ca/metabolites/HMDB02200	HMDB	NA	NA
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	http://www.hmdb.ca/metabolites/HMDB02200	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02200	Leukotriene E4	C23H37NO5S	439.23923	HMDB02200	PFEM_hmdb_metabocards_official	NA	NA
+MJ063464	Leukotriene E4 	C23H37NO5S	439.239243	NA	MeJP	NA	NA
+MetaCyc03563	(7E,9E,11Z,14Z)-(5S,6R)-6-(cystein-S-yl)-5-hydroxyicosa-7,9,11, 14-tetraenoate [(7E,9E,11Z,14Z)-(5S,6R)-6-(cystein-S-yl)-5- hydroxyeicosa-7,9,11,14-tetraenoate;6-(2-amino-2-carboxy-ethyl)sulfanyl-5-hydroxy-icosa-7,9,11,14- tetraenoic acid;]	C23H37N1O5S1	439.239244	NA	metacyc	NA	NA
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	HMDB	NA	NA
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	Inhouse_PFEM	NA	NA
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR153	LeukotrieneE4(LTE4)	C23H37NO5S	439.239246	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02200	Leukotriene E4	C23H37NO5S	439.239258	NA	HMDB2010	NA	NA
+PJ001480	PPVQ 	C20H33N5O6	439.2431	NA	PeJP	NA	NA
+MJ063465	Alkaloid LBY 	C25H33N3O4	439.247106	NA	MeJP	NA	NA
+MJ063466	Numismine 	C25H33N3O4	439.247106	NA	MeJP	NA	NA
+MJ063467	Deoxymalyngamide C 	C24H38ClNO4	439.248936	NA	MeJP	NA	NA
+MJ063468	Malyngamide F 	C24H38ClNO4	439.248936	NA	MeJP	NA	NA
+8060	synthetic peptide	RHK	439.253	antioxidative	Inhouse_peptide	NA	peptide
+PJ001481	APPR 	C19H33N7O5	439.2543	NA	PeJP	NA	NA
+MJ063469	Acoseptrine 	C23H37NO7	439.257002	NA	MeJP	NA	NA
+MJ063470	Delcosine; O16-De-Me 	C23H37NO7	439.257002	NA	MeJP	NA	NA
+MJ063471	Delcosine; O6-De-Me 	C23H37NO7	439.257002	NA	MeJP	NA	NA
+MJ063472	Delsoline; O14,O18-Di-de-Me 	C23H37NO7	439.257002	NA	MeJP	NA	NA
+MJ063473	Pubescenine; O18-De-Me, O14-de-Ac 	C23H37NO7	439.257002	NA	MeJP	NA	NA
+MJ063474	Ranaconine 	C23H37NO7	439.257002	NA	MeJP	NA	NA
+PJ001482	KHR 	C18H33N9O4	439.2656	NA	PeJP	NA	NA
+2818	PEP inhibitor	KPPV	439.266	NA	Inhouse_peptide	NA	peptide
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR585	LysoPE(15:0)	[M-H]+	439.269175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR585	LysoPE(15:0)	[M-H]+	439.269175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR585	LysoPE(15:0)	[M-H]+	439.269175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR585	LysoPE(15:0)	NA	439.269175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR585	LysoPE(15:0)	[M-H]+	439.269175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR585	LysoPE(15:0)	NA	439.269175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR819	Lyso PE 15:0 monoisotopic mass 	C20H42NO7P	439.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR826	Lyso PE 16:0 [M-H-CH3]-	C21H44NO7P	439.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR819	Lyso PE 15:0 monoisotopic mass 	C20H42NO7P	439.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR826	Lyso PE 16:0 [M-H-CH3]-	C21H44NO7P	439.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR819	Lyso PE 15:0 monoisotopic mass 	C20H42NO7P	439.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR826	Lyso PE 16:0 [M-H-CH3]-	C21H44NO7P	439.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR819	Lyso PE 15:0 monoisotopic mass 	C20H42NO7P	439.269892	masses lipides attendues	Inhousejuil11	NA	NA
+EUR826	Lyso PE 16:0 [M-H-CH3]-	C21H44NO7P	439.269892	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11472	LysoPE(0:0/15:0)	C20H42NO7P	439.269897	NA	HMDB2010	NA	NA
+HMDB11502	LysoPE(15:0/0:0)	C20H42NO7P	439.269897	NA	HMDB2010	NA	NA
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR586	LysoPE(15:0)	[M-H]-	439.269925	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR586	LysoPE(15:0)	[M-H]-	439.269925	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR586	LysoPE(15:0)	[M-H]-	439.269925	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR586	LysoPE(15:0)	NA	439.269925	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR586	LysoPE(15:0)	[M-H]-	439.269925	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR586	LysoPE(15:0)	NA	439.269925	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+PJ001483	PPVK 	C21H37N5O5	439.2795	NA	PeJP	NA	NA
+MJ063475	Agelasidine C, 20-Hydroxy 	C23H41N3O3S	439.286862	NA	MeJP	NA	NA
+MJ063476	Proactinomycin; Proactinomycin C 	C24H41NO6	439.293388	NA	MeJP	NA	NA
+C12271	Arachidonoyl dopamine	C28H41NO3	439.3086	NA	KEGG	NA	NA
+MJ063477	Arvanil 	C28H41NO3	439.308644	NA	MeJP	NA	NA
+MJ063478	Panclicins; Panclicin C 	C25H45NO5	439.329773	NA	MeJP	NA	NA
+MJ063479	Panclicins; Panclicin D 	C25H45NO5	439.329773	NA	MeJP	NA	NA
+MJ063480	4,4-Dimethyl-15-azasterol 	C30H49NO	439.381415	NA	MeJP	NA	NA
+MJ063481	Alkaloid LO3 	C29H49N3	439.392648	NA	MeJP	NA	NA
+2572	vasopressin	CYFQNCPRG~	439.71095	MH2+	Inhouse_peptide	NA	peptide
+3797	NA	WWPKHK~	439.736	MH2+	Inhouse_peptide	NA	peptide
+C18113	1,2,3,4,6,7,8,9-Octachlorodibenzofuran	C12Cl8O	439.7457	NA	KEGG	NA	NA
+C11128	2,4,5-Tribromo-1-(4-chlorobenzoyl)imidazole	C10H4Br3ClN2O	439.7562	NA	KEGG	NA	NA
+C18145	trans-Nonachlor	C10H5Cl9	439.7588	NA	KEGG	NA	NA
+MJ063482	1,4,8-Tribromo-3,7-dichloro-3,7-dimethyl-1,5-octadiene 	C10H13Br3Cl2	439.794443	NA	MeJP	NA	NA
+MJ063483	Poitediene 	C15H19Br2ClO3	439.938947	NA	MeJP	NA	NA
+MJ063484	Zenarestat 	C17H11BrClFN2O4	439.957475	NA	MeJP	NA	NA
+MJ063485	Psoromic acid; 2,7-Dichloro, Me ester 	C19H14Cl2O8	440.006572	NA	MeJP	NA	NA
+MJ063486	Ceftezole 	C13H12N8O4S3	440.014362	NA	MeJP	NA	NA
+FL5FECNSS007	Jaceidin 4'-O-sulfate	C18H16O11S	440.04133	92446-23-6	knapsack	NA	NA
+FL5FECNSS008	Veronicafolin 3-O-sulfate	C18H16O11S	440.04133	74545-45-2	knapsack	NA	NA
+FL5FECNSS009	Eupatin 3-O-sulfate	C18H16O11S	440.04133	74545-34-9	knapsack	NA	NA
+FL5FECNSS010	Quercetagetin 6,3',4'-trimethyl ether 3-O-sulfate	C18H16O11S	440.04133	100363-98-2	knapsack	NA	NA
+MJ063487	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether, 3-O-sulfate 	C18H16O11S	440.041332	NA	MeJP	NA	NA
+MJ063488	3,3',4',5,6,7-Hexahydroxyflavone; 3',6,7-Tri-Me ether, 3-O-sulfate 	C18H16O11S	440.041332	NA	MeJP	NA	NA
+MJ063489	3,3',5-Trihydroxy-4',6,7-trimethoxyflavone; 3-O-Sulfate 	C18H16O11S	440.041332	NA	MeJP	NA	NA
+MJ063490	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 4'-O-Sulfate 	C18H16O11S	440.041332	NA	MeJP	NA	NA
+C10951	N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-	C20H16ClF3N2O2S	440.0573	NA	KEGG	NA	NA
+FL631GNC0001	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one	C22H16O10	440.07434	126655-08-1	knapsack	NA	NA
+FL63ACNC0006	(-)-Amurensisin;Amurensisin;2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one	C22H16O10	440.07434	280576-19-4	knapsack	NA	NA
+MJ063491	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy[2]benzopyrano[3,4-c][1]benzopyran-8(6H)-one, 5'-Hydroxy 	C22H16O10	440.074346	NA	MeJP	NA	NA
+MJ063492	Amurensisin 	C22H16O10	440.074346	NA	MeJP	NA	NA
+MJ063493	Artemicapin D 	C22H16O10	440.074346	NA	MeJP	NA	NA
+MJ063494	Cefsumide 	C17H20N4O6S2	440.082425	NA	MeJP	NA	NA
+MJ063495	1,3,5-Benzenetriol; O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) 	C19H20O12	440.095476	NA	MeJP	NA	NA
+MJ063496	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C19H20O12	440.095476	NA	MeJP	NA	NA
+PJ001484	SCCE 	C14H24N4O8S2	440.1036	NA	PeJP	NA	NA
+FL3F19GF0001	Pongamoside A	C23H20O9	440.11073	713524-63-1	knapsack	NA	NA
+MJ063497	Antibiotic DC 44A 	C23H20O9	440.110732	NA	MeJP	NA	NA
+MJ063498	Mitorubrin, 3'-Acetoxy 	C23H20O9	440.110732	NA	MeJP	NA	NA
+MJ063499	Podophyllotoxin; 7,7',8,8'-Tetradehydro, 6-methoxy 	C23H20O9	440.110732	NA	MeJP	NA	NA
+MJ063500	Sulfurmycin A; Aglycone 	C23H20O9	440.110732	NA	MeJP	NA	NA
+MJ063501	2-(Trifluoromethanesulfonyloxy)-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine 	C19H19F3N4O3S	440.112995	NA	MeJP	NA	NA
+C09105	Hallactone B	C20H24O9S	440.1141	NA	KEGG	NA	NA
+MJ063502	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-sulfate 	C20H24O9S	440.114103	NA	MeJP	NA	NA
+MJ063503	Podolactone C; S-Oxide 	C20H24O9S	440.114103	NA	MeJP	NA	NA
+MJ063504	Kinamycin F; 4-O-(2-Methylpropanoyl) 	C22H20N2O8	440.121965	NA	MeJP	NA	NA
+PJ001485	GCMM 	C15H28N4O5S3	440.1222	NA	PeJP	NA	NA
+MJ063505	1,2,3,4-Tetrahydro-1,4,6,8-tetrahydroxyxanthone, 6-Me ether, 1-O-?-D-glucopyranoside 	C20H24O11	440.131861	NA	MeJP	NA	NA
+MJ063506	Ginkgolide C 	C20H24O11	440.131861	NA	MeJP	NA	NA
+MJ063507	Plumenoside 	C20H24O11	440.131861	NA	MeJP	NA	NA
+MJ063508	Poliothrysin 	C20H24O11	440.131861	NA	MeJP	NA	NA
+C07603	Ginkgolide C	C20H24O11	440.1319	NA	KEGG	NA	NA
+PJ001486	GCDF 	C18H24N4O7S	440.1366	NA	PeJP	NA	NA
+PJ001487	STCM 	C15H28N4O7S2	440.14	NA	PeJP	NA	NA
+FL5FFCNI0007	3,5,8-Trimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone;2-(1,3-Benzodioxol-5-yl)-3,5,8-trimethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one	C24H24O8	440.14711	114371-88-9	knapsack	NA	NA
+FLIFHXNP0004	(+)-12a-Hydroxyerythynone	C24H24O8	440.14711	128718-49-0	knapsack	NA	NA
+MJ063509	1,4-Epoxy-8,10,13-trihydroxy-1,5,7(11)-germacratrien-12,6-olide, 13-(3-Formylphenyl ether), 8-Ac 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063510	1-O-Cinnamoylglucose; 6-O-E-Cinnamoyl 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063511	3',4',5,5',7-Pentahydroxy-6-prenylflavone; 3''-Hydroxy, ?1''-isomer(E-), 4',5'-methylene, 3',5,7-tri-Me ether 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063512	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-(3-Methyl-2-butenyl), 3',4'-methylene, 3,5,8-Tri-Me ether 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063513	3,3',4,4',9,9'-Hexahydroxylign-7-ene, 3,4:3',4'-Bis(methylene) ether, 9,9'-di-Ac 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063514	9-O-Demethyl-6-O-methyl-8-prenylstemonal 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063515	Auranticin A 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063516	Butyrolactone II; 3'-(2,3-Epoxy-3-methylbutyl) 	C24H24O8	440.147117	NA	MeJP	NA	NA
+MJ063517	Tephrosin, 5-Methoxy 	C24H24O8	440.147117	NA	MeJP	NA	NA
+PJ001488	GSDY 	C18H24N4O9	440.1543	NA	PeJP	NA	NA
+MJ063518	Aminopterin 	C19H20N8O5	440.155665	NA	MeJP	NA	NA
+HMDB01833	Aminopterin	C19H20N8O5	440.15567	http://www.hmdb.ca/metabolites/HMDB01833	HMDB	NA	NA
+HMDB01833	Aminopterin	C19H20N8O5	440.15567	HMDB01833	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01833	Aminopterin	C19H20N8O5	440.15567	NA	HMDB2010	NA	NA
+MJ063519	15-Bromo-9(11)-parguerene-2,7,16-triol, 2-Ac 	C22H33BrO4	440.156222	NA	MeJP	NA	NA
+MJ063520	Kopsinitarine A; 14,15-Dihydro, 15?-hydroxy 	C23H24N2O7	440.158351	NA	MeJP	NA	NA
+MJ063521	Oximidine II; 12?,13?-Epoxide 	C23H24N2O7	440.158351	NA	MeJP	NA	NA
+MJ063522	Candesartan 	C24H20N6O3	440.159688	NA	MeJP	NA	NA
+C07468	Candesartan	C24H20N6O3	440.1597	NA	KEGG	NA	NA
+MJ063523	6-Chloro-2,8,9,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 2-Ac 	C22H29ClO7	440.16018	NA	MeJP	NA	NA
+MJ063524	6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-[(5-oxo-3-pyrrolidinyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; Pivaloyloxymethyl ester 	C20H28N2O7S	440.161721	NA	MeJP	NA	NA
+MJ063525	Isoplagiochin A; 7',8'-Dihydro, 10-hydroxy 	C28H24O5	440.162373	NA	MeJP	NA	NA
+MJ063526	Marchantin C; 12-Hydroxy 	C28H24O5	440.162373	NA	MeJP	NA	NA
+MJ063527	Marchantin C; 2'-Hydroxy 	C28H24O5	440.162373	NA	MeJP	NA	NA
+MJ063528	Neomarchantin B 	C28H24O5	440.162373	NA	MeJP	NA	NA
+MJ063529	Perrottetin E; 3'-Hydroxy, 7',8'-didehydro 	C28H24O5	440.162373	NA	MeJP	NA	NA
+C10270	Marchantin A	C28H24O5	440.1624	NA	KEGG	NA	NA
+MJ063530	Biopterin, 2'-O-(2-Acetamido-2-deoxy-?-D-glucopyranoside) 	C17H24N6O8	440.165561	NA	MeJP	NA	NA
+MJ063531	3,4,7,8,15-Scirpenepentol, 4,8,15-Tri-Ac 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063532	3-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olid-14-oic acid, ?-D-Glucopyranosyl ester 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063533	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063534	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 3'-O-?-D-glucopyranoside 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063535	Fagaropsine 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063536	Grandidentatin; 3'-Hydroxy 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063537	Peucedanol, 7-Me ether, 3'-O-?-D-glucopyranoside 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063538	Picrodendrin A 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063539	Picrodendrin G 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063540	Picrodendrin T 	C21H28O10	440.168247	NA	MeJP	NA	NA
+MJ063541	Picrodendrin V 	C21H28O10	440.168247	NA	MeJP	NA	NA
+PJ001489	QMY 	C19H28N4O6S	440.173	NA	PeJP	NA	NA
+PJ001490	GNNH 	C16H24N8O7	440.1768	NA	PeJP	NA	NA
+C07567	Sertindole	C24H26ClFN4O	440.1779	NA	KEGG	NA	NA
+MJ063542	Sertindole 	C24H26ClFN4O	440.177917	NA	MeJP	NA	NA
+MJ063543	N-[4-[3-(2,4-Diamino-1H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]glutamic acid 	C21H24N6O5	440.180817	NA	MeJP	NA	NA
+FL2FAANF0003	Lonchocarpol E	C25H28O7	440.1835	111567-20-5	knapsack	NA	NA
+FL2FAANP0019	2'',3''-Dihydroxylupinifolin;5,4'-Dihydroxy-8-(2,3-dihydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C25H28O7	440.1835	466689-46-3	knapsack	NA	NA
+FL2FACNF0003	Dorsmanin F;(+)-7,8-[2''-(1-Hydroxy-1-methylethyl)-dihydrofurano]-6-prenyl-5,3',4'-trihydroxyflavanone	C25H28O7	440.1835	234766-37-1	knapsack	NA	NA
+FL2FACNF0004	Dorsmanin G;(-)-6,7-[2''-(1-Hydroxy-1-methylethyl)dihydrofurano]-8-prenyl-5,3',4'-trihydroxyflavanone	C25H28O7	440.1835	234766-40-6	knapsack	NA	NA
+FL2FACNF0005	Epidorsmanin F	C25H28O7	440.1835	329703-69-7	knapsack	NA	NA
+FL2FACNF0006	Epidorsmanin G	C25H28O7	440.1835	329703-72-2	knapsack	NA	NA
+FL2FACNI0017	Dorsmanin H;5,7,3',4'-Tetrahydroxy-6-prenyl-8-(2-hydroxy-3-methylbut-3-enyl)flavanone	C25H28O7	440.1835	234766-44-0	knapsack	NA	NA
+FL2FACNP0013	Abyssinoflavanone V;5,7,3'-Trihydroxy-2'-prenyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':4',5'])flavanone	C25H28O7	440.1835	201535-06-0	knapsack	NA	NA
+FL2FACNP0014	Abyssinoflavanone VI;5,7-Dihydroxy-(5''-hydroxy-6'',6''-dimethylpyrano[2'',3'':7,6])-6''',6'''-dimethyldihydropyrano[2''',3''':4',3']flavanone	C25H28O7	440.1835	201535-05-9	knapsack	NA	NA
+FL2FALNI0012	Sophoraflavanone D	C25H28O7	440.1835	121927-93-3	knapsack	NA	NA
+FL2FALNI0013	Sophoraflavanone E	C25H28O7	440.1835	121927-94-4	knapsack	NA	NA
+FL2FALNI0014	Kenusanone B	C25H28O7	440.1835	140447-87-6	knapsack	NA	NA
+FL2FALNI0021	Exiguaflavanone C	C25H28O7	440.1835	149725-16-6	knapsack	NA	NA
+FL2FALNI0024	Exiguaflavanone G	C25H28O7	440.1835	156281-17-3	knapsack	NA	NA
+FL4DACNI0003	Diplacol	C25H28O7	440.1835	76556-05-3	knapsack	NA	NA
+FL4DALNI0001	Kushenol L	C25H28O7	440.1835	101236-50-4	knapsack	NA	NA
+FL4DALNI0008	Kushenol X;(2R,3R)-3,5,7,2',4'-Pentahydroxy-8-lavandulylflavanone	C25H28O7	440.1835	254886-77-6	knapsack	NA	NA
+MJ063544	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1'-O-[3-(Hydroxymethyl)-7-methyloctanoyl] 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063545	15,16-Epoxy-3,13(16),14-clerodatriene-18,19:20,12-diolide, 7?-Angeloyloxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063546	2',4',5,5',7-Pentahydroxy-6,8-diprenylflavanone 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063547	2',4',5,6',7-Pentahydroxy-6,8-diprenylflavanone 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063548	3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, ?3'''-Isomer, 2'''-hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063549	3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, ?3''-Isomer, 2''-hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063550	6-Geranyl-2',4',5,6',7-pentahydroxyflavanone 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063551	8-Geranyl-2',4',5,6',7-pentahydroxyflavanone 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063552	Abyssinoflavanone V 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063553	Arugosin C; ?3'-Isomer, 2'-hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063554	Cedmilinol 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063555	Cneorin F 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063556	Cneorin K 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063557	Diplacol 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063558	Exiguaflavanone C 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063559	Exiguaflavanone G 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063560	Kushenol I; O-De-Me 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063561	Kushenol L 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063562	Lonchocarpol C; 2''-Epimer, 3'-hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063563	Lonchocarpol C; 3'-Hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063564	Lonchocarpol D; 2''-Epimer, 3'-hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063565	Lonchocarpol D; 3'-Hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063566	Lonchocarpol E 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063567	Piperitol, O-(2-Hydroxy-3-methyl-3-butenyl) 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063568	Shahenxanthone 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063569	Tajixanthone hydrate 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063570	Tricoccin S17 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063571	Tricoccin S18 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063572	Tricoccin S4; ?8,30-Isomer, 9?-hydroxy 	C25H28O7	440.183503	NA	MeJP	NA	NA
+MJ063573	Vernodesmine 	C25H28O7	440.183503	NA	MeJP	NA	NA
+PJ001491	CRY 	C18H28N6O5S	440.1842	NA	PeJP	NA	NA
+MJ063574	Antibiotic K 252c; N13-(3-Amino-2,3,6-trideoxy-?-L-ribo-hexopyranosyl) 	C26H24N4O3	440.18484	NA	MeJP	NA	NA
+MJ063575	Picumast 	C25H29ClN2O3	440.18667	NA	MeJP	NA	NA
+PJ001492	GTTY 	C19H28N4O8	440.1907	NA	PeJP	NA	NA
+MJ063576	Blasticidin S; 5-Fluoro 	C17H25FN8O5	440.193194	NA	MeJP	NA	NA
+MJ063577	Adirubine; 19E,20-Didehydro, O-Ac 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063578	Chanofruticosine methyl ester; 12-Methoxy 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063579	Di-4-coumaroylputrescine; 3,3'-Dimethoxy 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063580	Henningsoline; O17-Ac 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063581	Isocaboxine A; 7-Epimer, N-Ac 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063582	Kopsaporine; 12-Methoxy, 17-deoxy 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063583	Kopsidasine 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063584	Kopsidasinine 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063585	Kopsijasmine, 12-Methoxy, N4-oxide 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063586	Novacine; 15-Hydroxy 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063587	Novacine; 19,20?-Epoxide 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063588	Vomicine; 11-Methoxy, 19?,20?-epoxide, Me ether 	C24H28N2O6	440.194736	NA	MeJP	NA	NA
+MJ063589	Punaglandin 7; 17,18-Dihydro 	C23H33ClO6	440.196566	NA	MeJP	NA	NA
+7650	ACE inhibitor from red algae	MKY	440.1974	antioxidative	Inhouse_peptide	NA	peptide
+MJ063590	Arundin 	C29H28O4	440.198759	NA	MeJP	NA	NA
+MJ063591	Perrottetin E; 11'-Me ether 	C29H28O4	440.198759	NA	MeJP	NA	NA
+MJ063592	Perrottetin E; 11-Me ether 	C29H28O4	440.198759	NA	MeJP	NA	NA
+8056	synthetic peptide	RHE	440.201	antioxidative	Inhouse_peptide	NA	peptide
+PJ001493	GVEH 	C18H28N6O7	440.202	NA	PeJP	NA	NA
+C11899	10-Deacetyl-2-debenzoylbaccatin III	C22H32O9	440.2046	NA	KEGG	NA	NA
+MJ063593	1,10-Epoxy-2,5,6,9-tetrahydroxy-11(13)-germacren-12,8-olide, 6-(2-Methylbutanoyl), 5-Ac 	C22H32O9	440.204632	NA	MeJP	NA	NA
+MJ063594	3,4-Epoxy-2,5,8,9-tetrahydroxy-11(13)-germacren-12,6-olide, 8-(2-Methylbutanoyl), 9-Ac 	C22H32O9	440.204632	NA	MeJP	NA	NA
+MJ063595	Toxin HT2; 3'-Hydroxy 	C22H32O9	440.204632	NA	MeJP	NA	NA
+MetaCyc03564	10-deacetyl-2-debenzoylbaccatin III []	C22H32O9	440.204633	NA	metacyc	NA	NA
+PJ001494	QFF 	C23H28N4O5	440.206	NA	PeJP	NA	NA
+MJ063596	Ceronapril 	C21H33N2O6P	440.207623	NA	MeJP	NA	NA
+PJ001495	KMY 	C20H32N4O5S	440.2094	NA	PeJP	NA	NA
+MJ063597	Blasticidin H 	C17H28N8O6	440.21318	NA	MeJP	NA	NA
+PJ001496	EHR 	C17H28N8O6	440.2132	NA	PeJP	NA	NA
+PJ001497	VHW 	C22H28N6O4	440.2172	NA	PeJP	NA	NA
+MJ063598	N2-[(1-Hydroxy-2-naphthalenyl)carbonyl]arginylprolinamide 	C22H28N6O4	440.217203	NA	MeJP	NA	NA
+FL1DAENI0001	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone	C26H32O6	440.21988	171828-56-1	knapsack	NA	NA
+FL1DBCNI0001	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone	C26H32O6	440.21988	122585-63-1	knapsack	NA	NA
+FL2FABNI0006	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone	C26H32O6	440.21988	151922-21-3	knapsack	NA	NA
+MJ063599	1,2-Bis[2-(2,4,5-trimethoxyphenyl)ethenyl]cyclobutane 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063600	1,3,8,10-Tetrahydroxy-6-methyl-9(10H)-anthracenone, 3-Me ether, 10-decanoyl 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063601	1-(3,4-Dihydro-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-[3-hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-1-propanone 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063602	2',3,4,4',6'-Pentahydroxy-3',5-diprenyldihydrochalcone; 4-Me ether 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063603	2',4',5,7-Tetrahydroxy-3,6-diprenylflavone; 2'',2''',3'',3'''-Tetrahydro, 7-Me ether 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063604	3',4',5,7-Tetrahydroxyflavanone, 4'-O-(3,6-Dimethyl-2-heptenyl), 3',7-di-Me ether 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063605	3',4'-Dihydro-6,6',7,7'-tetramethoxy-2,2,2',2'-tetramethyl-3,4'-bi-2H-1-benzopyran 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063606	3-(3,4-Dihydroxyphenyl)-1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxyphenyl]-1-propanone; 6'-Me ether 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063607	4',5,7-Trihydroxy-3',8-diprenylflavanone, 2''',3'''-Dihydro, 3'''-hydroxy, 4'-Me ether 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063608	7-O-(3,14-Dihydroxy-8(12)-drimen-11-yl)umbelliferone, 14'-O-Ac 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063609	7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin, 3'-Ketone 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063610	7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin, 3'-Ketone 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063611	Cauferin; 6'-O-Ac 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063612	Cedrelone; 11?-Hydroxy, 1,2-dihydro 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063613	Gedunin; O-De-Ac 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063614	Mogoltin; 3'-O-Ac 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063615	Nimbinene; O-De-Ac 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063616	Surenin; Di-O-de-Ac, 7-ketone 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063617	Surenolactone 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063618	Toonafolin 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063619	Umbelliprenin; 4'-Acetoxy, 9'-hydroxy 	C26H32O6	440.219888	NA	MeJP	NA	NA
+MJ063620	Cyclo(tryptophyltryptophyl), N1'-(1,1-Dimethyl-2-propenyl) 	C27H28N4O2	440.221226	NA	MeJP	NA	NA
+MJ063621	Fellutanine B 	C27H28N4O2	440.221226	NA	MeJP	NA	NA
+MJ063622	Tiospirone 	C24H32N4O2S	440.224596	NA	MeJP	NA	NA
+MJ063623	1,3-Octanediol, 1-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C19H36O11	440.225761	NA	MeJP	NA	NA
+PJ001498	PPVE 	C20H32N4O7	440.2271	NA	PeJP	NA	NA
+MJ063624	Alalakine 	C25H32N2O5	440.231122	NA	MeJP	NA	NA
+MJ063625	Ifetroban 	C25H32N2O5	440.231122	NA	MeJP	NA	NA
+MJ063626	Obscurinervine; 14,15-Dihydro 	C25H32N2O5	440.231122	NA	MeJP	NA	NA
+MJ063627	Pyrifoline 	C25H32N2O5	440.231122	NA	MeJP	NA	NA
+MJ063628	Tirofiban 	C22H36N2O5S	440.234492	NA	MeJP	NA	NA
+C07965	Tirofiban	C22H36N2O5S	440.2345	NA	KEGG	NA	NA
+PJ001499	ATLH 	C19H32N6O6	440.2384	NA	PeJP	NA	NA
+MJ063629	2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 14-(2-Hydroxypropanoyl) 	C23H36O8	440.241018	NA	MeJP	NA	NA
+MJ063630	3,7-Dimethyl-1,6-octadien-3-ol, O-[2-O-Acetyl-6-O-tigloyl-?-D-glucopyranoside] 	C23H36O8	440.241018	NA	MeJP	NA	NA
+MJ063631	Cryptoporic acid A; 15-Hydroxy 	C23H36O8	440.241018	NA	MeJP	NA	NA
+MJ063632	Phenylalanyl-N-[1-(1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2-methyl-1-isoquinolinyl)ethyl]glycinamide 	C24H32N4O4	440.242355	NA	MeJP	NA	NA
+MJ063633	Spinanine A 	C24H32N4O4	440.242355	NA	MeJP	NA	NA
+MJ063634	Zizyphine G 	C24H32N4O4	440.242355	NA	MeJP	NA	NA
+PJ001500	KFF 	C24H32N4O4	440.2424	NA	PeJP	NA	NA
+MJ063635	3,9-Dihydroxy-7,13-labdadien-15-oic acid, 9-Benzoyl 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063636	6,16-Dihydroxy-18-aphidicolanoic acid, 6-Benzoyl 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063637	8(17),13-Labdadiene-6,15,18-triol, 18-Carboxylic acid, 6-benzoyl 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063638	8-Daucene-4,6,10-triol, 6-Benzoyl, 10-angeloyl 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063639	Arieianal 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063640	Asiaticusin A 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063641	Jaborosalactone Q 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063642	Jaspiferal A 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063643	Mediterraneol A 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063644	Mediterraneol C 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063645	Nostoc commune Meroterpenoid 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063646	Podosporin A 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063647	Spirost-4-ene-3,6,12-trione 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063648	Surangin A 	C27H36O5	440.256274	NA	MeJP	NA	NA
+MJ063649	Bisobrin 	C26H36N2O4	440.267507	NA	MeJP	NA	NA
+MJ063650	Salsamine 	C26H36N2O4	440.267507	NA	MeJP	NA	NA
+MJ063651	1,16-Bis-(3,5-dihydroxyphenyl)-8-hexadecene 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063652	1-(2-Hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraene-5,12-diol, 12-Ketone 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063653	17,19,22,24-Tetrahydroxyturriane; 17,22-Di-Me ether 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063654	2,3,22-Trihydroxy-24,29-dinor-1,3,5(10)-friedelatrien-21-one; 22?-form 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063655	3,15-Dihydroxy-24,28-dinor-3,12-oleanadiene-2,16-dione; 15?-form 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063656	3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 2-Ac 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063657	3-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 4-Ac 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063658	5'-Hydroxy-12'-oxohalidrol, 5'-Ketone 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063659	6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,4-benzenetriol, 1-Ac 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063660	6-[(3,4-Dihydro-6-methoxy-2,8-dimethyl-2H-1-benzopyran-2-yl)methyl]-1,2,3,3a,7,7a-hexahydro-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063661	9,14-Dihydroxyergosta-4,7,22-triene-3,6-dione 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063662	Cystalgerone; O1'-De-Me 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063663	Furanoeremophilane-3,9-diol, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063664	Grevirobstol B 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063665	Pentagestrone; Ac 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063666	Sargaquinone; 8',9'-Dihydroxy, 5-methyl 	C28H40O4	440.292659	NA	MeJP	NA	NA
+MJ063667	Siraitic acid D; 20-Deoxy 	C28H40O4	440.292659	NA	MeJP	NA	NA
+PJ001501	PVLL 	C22H40N4O5	440.2999	NA	PeJP	NA	NA
+MJ063668	Leupeptin Pr-LL 	C21H40N6O4	440.311103	NA	MeJP	NA	NA
+MJ063669	14-Labdene-8,13-diol, 13-O-?-D-Xylopyranoside 	C25H44O6	440.313789	NA	MeJP	NA	NA
+MJ063670	8,13-Epoxy-14,15,16,19-labdanetetrol, 19-(3-Methylbutanoyl) 	C25H44O6	440.313789	NA	MeJP	NA	NA
+MJ063671	Mycotrophein 	C25H44O6	440.313789	NA	MeJP	NA	NA
+C08965	Pfaffic acid	C29H44O3	440.329	NA	KEGG	NA	NA
+MJ063672	17-Hydroxy-28-nor-12-ursene-3,11-dione; 17?-form 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063673	3,18-Dihydroxy-28-nor-12-oleanen-16-one, 3-Ketone 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063674	3-Hydroxy-27-nor-12,14-oleanadien-28-oic acid 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063675	3-Hydroxy-28-nor-16-oxo-12-oleanen-23-al 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063676	3-Hydroxy-28-nor-16-oxo-17-oleanen-23-al 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063677	3-Hydroxy-30-nor-12,18-oleanadien-29-oic acid 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063678	3-Hydroxy-30-nor-12,19-oleanadien-28-oic acid 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063679	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063680	3-Oxo-24-nor-12-ursen-28-oic acid 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063681	Aragusterol D 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063682	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Undecanoyl 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063683	Larreagenin A 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063684	Pfaffic acid 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063685	Stoloniferone D 	C29H44O3	440.329045	NA	MeJP	NA	NA
+MJ063686	3,20-Diaminopregn-2-en-4-ol, 4-Ketone, N20,N20-di-Me, N3-tigloyl 	C28H44N2O2	440.340278	NA	MeJP	NA	NA
+MJ063687	3,20-Diaminopregn-5-en-4-one, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H44N2O2	440.340278	NA	MeJP	NA	NA
+MJ063688	3,20-Diaminopregn-5-en-4-one, N20,N20-Di-Me, N3-angeloyl 	C28H44N2O2	440.340278	NA	MeJP	NA	NA
+MJ063689	3,20-Diaminopregna-4,14-dien-2-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H44N2O2	440.340278	NA	MeJP	NA	NA
+MJ063690	Harappamine; N20-Formyl 	C28H44N2O2	440.340278	NA	MeJP	NA	NA
+C14928	17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate	C28H44N2O2	440.3403	NA	KEGG	NA	NA
+MJ063691	5,6-Dihydro-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one 	C26H48O5	440.350174	NA	MeJP	NA	NA
+MJ063692	Momordol 	C26H48O5	440.350174	NA	MeJP	NA	NA
+C17394	Karounidiol	C30H48O2	440.3654	NA	KEGG	NA	NA
+C17422	Soyasapogenol C	C30H48O2	440.3654	NA	KEGG	NA	NA
+HMDB01421	4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol	C30H48O2	440.365417	NA	HMDB2010	NA	NA
+HMDB01421	4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol	C30H48O2	440.36542	http://www.hmdb.ca/metabolites/HMDB01421	HMDB	NA	NA
+HMDB01421	4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol	C30H48O2	440.36542	HMDB01421	PFEM_hmdb_metabocards_official	NA	NA
+MJ063693	1,3-Friedelanedione 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063694	1-Hydroxy-6-friedelen-3-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063695	11,12-Epoxy-14-taraxeren-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063696	11,13(18)-Oleanadiene-3,22-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063697	11,13(18)-Oleanadiene-3,24-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063698	11-Hydroxy-1-friedelen-3-one; 11?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063699	12,15-Oleanadiene-3,28-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063700	12,20(30)-Ursadiene-3,28-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063701	12,21-Oleanadiene-3,24-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063702	12-Oleanene-1,3-diol, 1-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063703	12-Oleanene-1,3-diol; 3?-form, 1-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063704	12-Oleanene-3,11-diol, 11-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063705	12-Oleanene-3,11-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063706	12-Oleanene-3,22-diol, 22-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063707	12-Oleanene-3,24-diol; 3?-form, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063708	12-Oleanene-3,28-diol, 28-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063709	12-Oleanene-3,28-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063710	12-Oleanene-3,29-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063711	12-Oleanene-3,6-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063712	12-Ursene-3,11-diol, 11-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063713	12-Ursene-3,11-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063714	12-Ursene-3,28-diol, 28-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063715	13(18),15-Oleanadiene-3,28-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063716	13,28-Epoxy-11-oleanen-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063717	13,28-Epoxy-11-ursen-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063718	14-Serratene-3,21-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063719	14-Serratene-3,21-diol, 21-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063720	14-Taraxeren-24-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063721	14-Taraxerene-3,28-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063722	14-Taraxerene-3,29-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063723	15,17(21)-Hopadiene-3,6-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063724	15-Hydroxy-3-friedelanone; 15?-form, 15-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063725	16,21-Pachysanadiene-3,28-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063726	16,23-Epoxycycloart-24-en-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063727	16,23-Epoxylanosta-8,24-dien-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063728	16-Hydroxydammara-20(22),25-diene-3-one; 16?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063729	16-Hydroxydammara-20,24-dien-3-one; 16?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063730	17,29-Epoxyhopane, 29-Oxo 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063731	17-Hydroxy-29-hopanoic acid, Lactone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063732	18-Oleanene-3,16-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063733	2,3-Friedelanediol; 3?-form, 2,3-Diketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063734	20(29)-Lupen-3-ol, 3-Ketone, 20?,29-epoxide 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063735	20(29)-Lupene-1,3-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063736	20(29)-Lupene-3,16-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063737	20(29)-Lupene-3,28-diol, 28-O-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063738	20(29)-Lupene-3,28-diol, 3-O-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063739	20(29)-Lupene-3,28-diol; 3?-form, 28-O-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063740	20(29)-Lupene-3,6-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063741	20(30)-Lupene-3,29-diol, 29-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063742	20(30)-Lupene-3,29-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063743	20,21-Epoxycycloart-24-en-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063744	20,24-Epoxy-25-dammaren-3-ol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063745	20-Hydroxy-12-ursen-3-one; 20?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063746	20-Taraxastene-3,22-diol, 22-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063747	20-Taraxastene-3,6-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063748	21,22-Epoxy-20(30)-taraxen-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063749	21,23-Epoxycycloart-24-en-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063750	21,23-Epoxytirucalla-7,24-dien-3-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063751	21,26-Dihydroxy-3-friedelanone; 21?-form, 21-Deoxy, 26-aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063752	21-Hydroxy-20(29)-lupen-3-one; 21?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063753	22(30)-Hopen-29-ol; Carboxylic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063754	22,28-Hopanediol; 28-Carboxylic acid, 28?22 lactone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063755	23-Hydroxy-18-oleanen-3-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063756	24,25-Epoxycycloartan-3-ol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063757	24-Hydroxydammara-20,25-dien-3-one; 24?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063758	25-Hydroxy-3-friedelanone; 25-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063759	25-Nor-7-fernen-10-ol; 10?-form, O-Formyl 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063760	29-Hydroxy-1-friedelen-3-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063761	3,11-Friedelanedione 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063762	3,12-Friedelanedione 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063763	3,16-Friedelanedione 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063764	3,21-Friedelanediol, 4,23-Didehydro, 3-ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063765	3,21-Gammaceranediol, 3,21-Diketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063766	3,28-Friedelanediol; 3?-form, 3-Ketone, 28-aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063767	3,29-Friedelanediol, 3-Ketone, 29-aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063768	3,30-Friedelanediol; 3?-form, 30-Aldehyde, 3-ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063769	3,4-Seco-4(23),14-taraxeradien-3-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063770	3,4-Seco-4(23),18-oleanadien-3-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063771	3,4-Seco-4(23),22(29)-hopadien-3-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063772	3,4-Seco-4(23),9(11)-fernadien-3-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063773	3,4-Secotirucalla-4(28),7,24-trien-3-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063774	3,7-Friedelanediol; 3?-form, Diketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063775	3-Filicen-23-al; 23-Carboxylic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063776	3-Hydroxy-14-taraxeren-28-al 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063777	3-Hydroxy-18-lupen-21-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063778	3-Hydroxy-24-methylene-29-norlanost-8-en-11-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063779	3-Hydroxy-28-methylstigmasta-5,22-dien-7-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063780	3-Hydroxy-30-nor-14-serraten-21-one, Me ether 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063781	3-Hydroxy-30-nor-14-serraten-21-one; 3?-form, Me ether 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063782	3-Hydroxy-4,14-dimethylergost-8,24(28)-dien-7-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063783	3-Hydroxy-8-fernen-7-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063784	3-Hydroxy-8-multifloren-7-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063785	3-Hydroxycucurbita-5,24-dien-7-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063786	3-Hydroxycycloart-24-en-26-oic acid, 26-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063787	3-Hydroxylanosta-8,24-dien-7-one 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063788	3-Oxo-20,24-dammaradien-26-al, 26-Alcohol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063789	4,15,26-Triacontatriene-1,29-diyne-3,28-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063790	5-Adianen-28-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063791	6,8-Multifloradiene-3,29-diol; 3?-form 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063792	7,25-Epoxy-9(11)-fernen-8-ol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063793	7,9(11)-Fernadiene-3,16-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063794	7,9(11)-Multifloradiene-3,29-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063795	7-Fernen-28-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063796	8-Fernen-28-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063797	8-Multiflorene-3,16-diol, 16-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063798	8-Multiflorene-3,16-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063799	9(11),12-Oleanadiene-3,7-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063800	9(11)-Fernen-24-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063801	9(11)-Fernen-25-ol; Carboxylic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063802	9(11)-Fernen-28-oic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063803	Canaric acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063804	Cycloart-20-ene-3,24-dione; 24?-Alcohol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063805	Cycloart-23-ene-3,25-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063806	Cycloart-24-ene-3,16-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063807	Cycloart-24-ene-3,21-diol, 21-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063808	Cycloart-24-ene-3,22-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063809	Cycloart-24-ene-3,23-diol, 23-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063810	Cycloart-24-ene-3,23-diol; 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063811	Cycloart-24-ene-3,23-diol; 23-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063812	Cycloart-25-ene-3,24-diol, 24-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063813	Cycloart-25-ene-3,24-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063814	Cycloarta-22,24-diene-3,21-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063815	Cycloartane-3,24-dione 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063816	Entandrolide 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063817	Eupha-7,24-diene-3,26-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063818	Kulinone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063819	Lanosta-7,9(11),24-triene-3,15-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063820	Lanosta-7,9(11),24-triene-3,21-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063821	Lanosta-7,9(11),24-triene-3,22-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063822	Lanosta-7,9(11),24-triene-3,26-diol 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063823	Lanosta-8,24-diene-3,21-diol, 21-Aldehyde 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063824	Lanosta-8,24-diene-3,21-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063825	Lanosta-8,24-diene-3,23-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063826	Nyctanthic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063827	Roburic acid 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063828	Tamarixol; 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MJ063829	Tirucalla-7,24-diene-3,23-diol, 3-Ketone 	C30H48O2	440.36543	NA	MeJP	NA	NA
+MetaCyc03565	4,4-dimethyl-14&alpha;-formyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C30H48O2	440.365431	NA	metacyc	NA	NA
+MJ063830	Trichoverrol A; 6',7'-Diepimer, 2'E-isomer 	C23H52O7	440.371304	NA	MeJP	NA	NA
+MJ063831	Trichoverrol A; 6'-Epimer, 2'E-isomer 	C23H52O7	440.371304	NA	MeJP	NA	NA
+MJ063832	Homomoenjodaramine 	C29H48N2O	440.376664	NA	MeJP	NA	NA
+HMDB11559	MG(0:0/24:1(15Z)/0:0)	C27H52O4	440.386566	NA	HMDB2010	NA	NA
+HMDB11589	MG(24:1(15Z)/0:0/0:0)	C27H52O4	440.386566	NA	HMDB2010	NA	NA
+C08830	24-Methylenecycloartanol	C31H52O	440.4018	NA	KEGG	NA	NA
+C11513	(24R)-24-Methylcycloarta-25-en-3-beta-ol	C31H52O	440.4018	NA	KEGG	NA	NA
+C16916	Arundoin	C31H52O	440.4018	NA	KEGG	NA	NA
+C17534	Cylindrin	C31H52O	440.4018	NA	KEGG	NA	NA
+MJ063833	12-Oleanen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063834	12-Ursen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063835	14-Taraxeren-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063836	18-Oleanen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063837	20(29)-Lupen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063838	22(29)-Hopen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063839	24,24,26,26-Tetramethylcholesta-5,25(27)-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063840	24,24-Dimethyl-29-norcycloart-20-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063841	24-Methylcycloart-20-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063842	24-Methylcycloart-24-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063843	24-Methylcycloart-25-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063844	24-Methylenecycloartan-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063845	24-Methylenelanost-8-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063846	24-Methylenelanost-9(11)-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063847	24-Methyllanosta-9(11),25-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063848	24-Methyltirucalla-5,25-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063849	24-Propyl-24,28-methylenecholest-5-en-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063850	25,26,27-Trimethylergosta-5,24(28)-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063851	25-Isopropyl-27-norstigmasta-7,25-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063852	26,27-Dimethylstigmasta-5,24(28)-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063853	26,27-Dimethylstigmasta-5,25-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063854	4,14-Dimethylstigmasta-8,24(28)-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063855	4,14-Dimethylstigmasta-8,25-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063856	4,14-Dimethylstigmasta-9(11),24(28)-dien-3-ol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063857	7-Baueren-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063858	7-Multifloren-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063859	9(11)-Arborinen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063860	9(11)-Arborinen-3-ol; 3?-form, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063861	9(11)-Fernen-3-ol, Me ether 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063862	Axinyssasterol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063863	Cyclocaducinol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063864	Cyclofuntumienol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063865	Cyclonervilol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063866	Cyclopterospermol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063867	Cyclosadol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063868	Cyclotrichosantol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063869	Euphorbinol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MJ063870	Euphorbol 	C31H52O	440.401816	NA	MeJP	NA	NA
+MetaCyc03566	(24R)-24-methylcycloarta-25-en-3-&beta;-ol []	C31H52O1	440.401816	NA	metacyc	NA	NA
+MetaCyc03567	24-methylenecycloartenol [24(28)-methylenecycloartenol;]	C31H52O1	440.401816	NA	metacyc	NA	NA
+MJ063871	Plakinamine A; 23?,24?,25,30-Tetrahydro, N30-Me 	C30H52N2	440.413049	NA	MeJP	NA	NA
+MJ063872	28-Hydroxyoctacosanoic acid 	C28H56O3	440.422945	NA	MeJP	NA	NA
+MJ063873	1,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063874	1,18-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063875	10,13-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063876	10,16-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063877	27-Methyl-1,3-octacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063878	4,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063879	5,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063880	5,8-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063881	6,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063882	6,21-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063883	6,8-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063884	7,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063885	8,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063886	8,9-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063887	9,10-Nonacosanediol 	C29H60O2	440.459331	NA	MeJP	NA	NA
+MJ063888	3,4-Dihydroxybenzyl glucosinolate 	C14H19NO11S2	441.039951	NA	MeJP	NA	NA
+MJ063889	Sporidesmin H 	C18H20ClN3O4S2	441.058375	NA	MeJP	NA	NA
+PJ001502	CCCN 	C13H23N5O6S3	441.0811	NA	PeJP	NA	NA
+MJ063890	Xestoquinone; 14-(2-Sulfoethylamino) 	C22H19NO7S	441.088222	NA	MeJP	NA	NA
+MJ063891	Xestoquinone; 15-(2-Sulfoethylamino) 	C22H19NO7S	441.088222	NA	MeJP	NA	NA
+MJ063892	Aristolactam I; O-De-Me, N-?-D-glucopyranosyl 	C22H19NO9	441.105981	NA	MeJP	NA	NA
+MJ063893	Aristolactam IIIa; N-?-D-Glucopyranoside 	C22H19NO9	441.105981	NA	MeJP	NA	NA
+MJ063894	Temelastine 	C21H24BrN5O	441.116423	NA	MeJP	NA	NA
+MJ063895	Lycorine, O2-Glycerophosphoryl 	C19H24NO9P	441.118867	NA	MeJP	NA	NA
+C12948	Mazaticol hydrochloride	C21H27NO3S2	441.1199	NA	KEGG	NA	NA
+C12949	Transferred to D01500	C21H27NO3S2	441.1199	NA	KEGG	NA	NA
+C12950	Transferred to D01501	C21H27NO3S2	441.1199	NA	KEGG	NA	NA
+C12951	Transferred to D01502	C21H27NO3S2	441.1199	NA	KEGG	NA	NA
+C12952	Transferred to D01503	C21H27NO3S2	441.1199	NA	KEGG	NA	NA
+C12953	Transferred to D01504	C21H27NO3S2	441.1199	NA	KEGG	NA	NA
+C07751	Dofetilide	C19H27N3O5S2	441.1392	NA	KEGG	NA	NA
+MJ063896	Dofetilide 	C19H27N3O5S2	441.139212	NA	MeJP	NA	NA
+HMDB00121	Folic acid	C19H19N7O6	441.139679	NA	HMDB2010	NA	NA
+HMDB00121	Folic acid	C19H19N7O6	441.13968	http://www.hmdb.ca/metabolites/HMDB00121	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00121	Folic acid	C19H19N7O6	441.13968	http://www.hmdb.ca/metabolites/HMDB00121	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00121	Folic acid	C19H19N7O6	441.13968	http://www.hmdb.ca/metabolites/HMDB00121	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00121	Folic acid	C19H19N7O6	441.13968	http://www.hmdb.ca/metabolites/HMDB00121	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00121	Folic acid	C19H19N7O6	441.13968	http://www.hmdb.ca/metabolites/HMDB00121	HMDB	NA	NA
+HMDB00121	Folic acid	C19H19N7O6	441.13968	http://www.hmdb.ca/metabolites/HMDB00121	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00121	Folic acid	C19H19N7O6	441.13968	HMDB00121	PFEM_hmdb_metabocards_official	NA	NA
+MJ063897	Pteroylglutamic acid 	C19H19N7O6	441.139681	NA	MeJP	NA	NA
+MJ063898	Folic acid 	C19H19N7O6	441.139681	NA	MeJP	NA	NA
+MetaCyc03568	folate [pteroyl-glutamate;pteroyl-glu;folic-acid;PGA;vitamin-M;pteroylglutamic-acid;pteroyl-L-glutamic acid;vitamin B9;lactobacillus casei factor;vitamin Bc;]	C19H19N7O6	441.139681	75708-92-8	metacyc	NA	NA
+EUR063	Folate	C19H19N7O6	441.1397	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR063	Folate	C19H19N7O6	441.1397	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR063	Folate	C19H19N7O6	441.1397	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR063	Folate	C19H19N7O6	441.1397	Wishlist	Inhousejuil11	NA	NA
+C00504	Folate	C19H19N7O6	441.1397	NA	KEGG	NA	NA
+C00505	Gentamicin	C19H19N7O6	441.1397	NA	KEGG	NA	NA
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR364	Folate F1	NA	441.139775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR364	Folate F1	NA	441.139775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR364	Folate F1	NA	441.139775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR364	Folate F1	NA	441.139775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR364	Folate F1	C19H19N7O6	441.139775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ063899	2-Hydroxy-2-phenylacetonitrile, O-[4-Hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C23H23NO8	441.142366	NA	MeJP	NA	NA
+PJ001503	EMY 	C19H27N3O7S	441.157	NA	PeJP	NA	NA
+PJ001504	GNDH 	C16H23N7O8	441.1608	NA	PeJP	NA	NA
+MJ063900	Troglitazone 	C24H27NO5S	441.160993	NA	MeJP	NA	NA
+MJ063901	2-Hydroxy-2-phenylacetonitrile, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H27NO10	441.163496	NA	MeJP	NA	NA
+MJ063902	Clotixamide 	C24H28ClN3OS	441.16416	NA	MeJP	NA	NA
+MJ063903	Antibiotic K 252c; N13-(2,6-Dideoxy-?-D-ribo-hexopyranosyl) 	C26H23N3O4	441.168856	NA	MeJP	NA	NA
+MJ063904	Tomeglovir 	C23H27N3O4S	441.172227	NA	MeJP	NA	NA
+3307	NA	PYY	441.178	celiac toxic	Inhouse_peptide	NA	peptide
+3785	NA	YYP	441.178	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ063905	N-Deacetylcolchicine, N-(3-Oxobutanoyl) 	C24H27NO7	441.178752	NA	MeJP	NA	NA
+MJ063906	17-Hydroxyestr-4-en-3-one; 17?-form, Bis(2-chloroethyl)carbamoyl 	C23H33Cl2NO3	441.183749	NA	MeJP	NA	NA
+PJ001505	PPND 	C18H27N5O8	441.186	NA	PeJP	NA	NA
+MJ063907	Tunichrome Mm2 	C23H27N3O6	441.189985	NA	MeJP	NA	NA
+PJ001506	PYY 	C23H27N3O6	441.19	NA	PeJP	NA	NA
+MJ063908	Bacmecillinam 	C20H31N3O6S	441.193356	NA	MeJP	NA	NA
+PJ001507	GTQH 	C17H27N7O7	441.1972	NA	PeJP	NA	NA
+MJ063909	Onetine; O12-Ac 	C21H31NO9	441.199881	NA	MeJP	NA	NA
+MJ063910	Parsonsianine 	C21H31NO9	441.199881	NA	MeJP	NA	NA
+MJ063911	Alprenolol-NBD 	C22H27N5O5	441.201218	NA	MeJP	NA	NA
+MJ063912	Apicularen A 	C25H31NO6	441.215137	NA	MeJP	NA	NA
+MJ063913	Deflazacort 	C25H31NO6	441.215137	NA	MeJP	NA	NA
+MJ063914	Vilazodone 	C26H27N5O2	441.216475	NA	MeJP	NA	NA
+MJ063915	Perbufylline 	C23H28FN5O3	441.217617	NA	MeJP	NA	NA
+PJ001508	PPTQ 	C19H31N5O7	441.2224	NA	PeJP	NA	NA
+MJ063916	Phebestin 	C24H31N3O5	441.226371	NA	MeJP	NA	NA
+PJ001509	LFY 	C24H31N3O5	441.2264	NA	PeJP	NA	NA
+MJ063917	Antibiotic SF 1306B 	C18H31N7O6	441.233581	NA	MeJP	NA	NA
+PJ001510	GTKH 	C18H31N7O6	441.2336	NA	PeJP	NA	NA
+MJ063918	Aconitane-1,3,4,7,8,9,14,16-octol, O14,O16-Di-Me, N-Et 	C22H35NO8	441.236267	NA	MeJP	NA	NA
+MJ063919	Ipanguline D3; 7-O-(2-Methylbutanoyl), 2'',3''-di-Ac 	C22H35NO8	441.236267	NA	MeJP	NA	NA
+7705	pyrokinin TENMO-PK-2	SPPFAPRL~	441.247	MH2+	Inhouse_peptide	NA	peptide
+MJ063920	Dehydronapelline; Di-Ac 	C26H35NO5	441.251523	NA	MeJP	NA	NA
+HMDB02355	Leukotriene E3	C23H39NO5S	441.25488	http://www.hmdb.ca/metabolites/HMDB02355	HMDB	NA	NA
+HMDB02355	Leukotriene E3	C23H39NO5S	441.25488	HMDB02355	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02355	Leukotriene E3	C23H39NO5S	441.254883	NA	HMDB2010	NA	NA
+PJ001511	PPTK 	C20H35N5O6	441.2588	NA	PeJP	NA	NA
+PJ001512	GPLR 	C19H35N7O5	441.27	NA	PeJP	NA	NA
+MJ063921	Ipanguline D3; 3'',7-Bis(2-methylbutanoyl) 	C23H39NO7	441.272652	NA	MeJP	NA	NA
+MJ063922	Antibiotic NK 170204B 	C27H39NO4	441.287908	NA	MeJP	NA	NA
+PJ001513	PVVK 	C21H39N5O5	441.2951	NA	PeJP	NA	NA
+C07707	Perindopril erbumine	C19H32N2O5	441.3203	NA	KEGG	NA	NA
+MJ063923	1-[17-(3,4-Methylenedioxyphenyl)-16-heptadecenoyl]pyrrolidine 	C28H43NO3	441.324294	NA	MeJP	NA	NA
+MJ063924	Cyclobuxophylline O; N-Me, N-ethoxycarbonyl 	C28H43NO3	441.324294	NA	MeJP	NA	NA
+HMDB13339	3-Hydroxy-11Z-octadecenoylcarnitine	C25H47NO5	441.345428	NA	HMDB2010	NA	NA
+HMDB13340	3-Hydroxy-9Z-octadecenoylcarnitine	C25H47NO5	441.345428	NA	HMDB2010	NA	NA
+MJ063925	Stigmast-4-ene-3,6-diol, 3,6-Diketone, 6-oxime 	C29H47NO2	441.360679	NA	MeJP	NA	NA
+MJ063926	Alkaloid LE1 	C28H47N3O	441.371913	NA	MeJP	NA	NA
+MJ063927	Gnidine 	C29H51N3	441.408298	NA	MeJP	NA	NA
+MJ063928	1,1-Dibromo-4-chloro-2-iodo-1-octen-3-one 	C8H10Br2ClIO	441.783161	NA	MeJP	NA	NA
+MJ063929	Dysamide A; 1',3-Didehydro(E-), N1-de-Me 	C13H16Cl6N2O2	441.934294	NA	MeJP	NA	NA
+MJ063930	Colpol 	C17H16Br2O4	441.941534	NA	MeJP	NA	NA
+MJ063931	2,10-Dibromo-3-chloro-5,10:7,8-diepoxy-9-chamigranol 	C15H21Br2ClO3	441.954597	NA	MeJP	NA	NA
+MJ063932	2,10-Dibromo-3-chloro-7,8-epoxy-9-chamigren-5-ol; 9?,10?-Epoxide 	C15H21Br2ClO3	441.954597	NA	MeJP	NA	NA
+MJ063933	N-[2-(2-Amino-1H-imidazol-4-yl)ethyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-propenamide 	C15H16Br2N4O2	441.964001	NA	MeJP	NA	NA
+MJ063934	Hamigeran B; 4-Bromo 	C18H20Br2O3	441.977919	NA	MeJP	NA	NA
+MJ063935	Nidulin 	C20H17Cl3O5	442.014156	NA	MeJP	NA	NA
+PJ001514	CCCD 	C13H22N4O7S3	442.0651	NA	PeJP	NA	NA
+MJ063936	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C18H18O13	442.07474	NA	MeJP	NA	NA
+FL631GNS0003	Robinetinidol 3-O-gallate	C22H18O10	442.08999	126999-62-0	knapsack	NA	NA
+FL631GNS0004	ent-Robinetinidol 3-O-gallate	C22H18O10	442.08999	17445-91-9	knapsack	NA	NA
+FL63ACNS0005	Catechin 3-O-gallate	C22H18O10	442.08999	25615-05-8	knapsack	NA	NA
+FL63ACNS0006	(-)-Epicatechin 3-O-gallate	C22H18O10	442.08999	1257-08-5	knapsack	NA	NA
+FL63ACNS0007	ent-Catechin 3-O-gallate	C22H18O10	442.08999	130405-40-2	knapsack	NA	NA
+FL63ACNS0008	ent-Epicatechin 3-O-gallate	C22H18O10	442.08999	17431-25-3	knapsack	NA	NA
+FL63ACNS0011	Catechin 5-O-gallate	C22H18O10	442.08999	128232-62-2	knapsack	NA	NA
+FL63ACNS0012	Catechin 7-O-gallate	C22H18O10	442.08999	89702-01-2	knapsack	NA	NA
+FL63ACNS0013	Catechin 3'-O-gallate	C22H18O10	442.08999	110801-35-9	knapsack	NA	NA
+FL63ACNS0014	Catechin 4'-O-gallate	C22H18O10	442.08999	110784-23-1	knapsack	NA	NA
+MJ063937	3,3',4',5',7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063938	3,3',4',5',7-Pentahydroxyflavan, 3-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063939	3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063940	3,3',4',5,7-Pentahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063941	3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063942	3,3',4',5,7-Pentahydroxyflavan, 4'-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063943	3,3',4',5,7-Pentahydroxyflavan, 5-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063944	3,3',4',5,7-Pentahydroxyflavan, 7-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063945	3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O10	442.089996	NA	MeJP	NA	NA
+MJ063946	4,4'-Biisofraxidin 	C22H18O10	442.089996	NA	MeJP	NA	NA
+PJ001515	SCCM 	C14H26N4O6S3	442.1015	NA	PeJP	NA	NA
+MJ063947	?,?',2-Triamino-?,?',3-trioxo-3H-phenoxazine-1,9-dibutanoic acid 	C20H18N4O8	442.112463	NA	MeJP	NA	NA
+MJ063948	(2-Methyl-1-oxopropoxy)methyl 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[(5-thioxo-3-pyrrolidinyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C19H26N2O6S2	442.123227	NA	MeJP	NA	NA
+FL5FFCNI0001	Flaccidine	C23H22O9	442.12638	137832-26-9	knapsack	NA	NA
+FL5FGANI0003	Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid	C23H22O9	442.12638	142609-00-5	knapsack	NA	NA
+FLIFHXNF0011	Villol;6,12a-Dihydroxysumatrol	C23H22O9	442.12638	65206-37-3	knapsack	NA	NA
+MJ063949	3,3',4',5,7,8-Hexahydroxyflavone; 3',4',8-Tri-Me ether, 3-O-angeloyl 	C23H22O9	442.126382	NA	MeJP	NA	NA
+MJ063950	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6-Tri-Me ether, 8-O-tigloyl 	C23H22O9	442.126382	NA	MeJP	NA	NA
+MJ063951	Dehydroheliobuphthalmin; 5-Methoxy 	C23H22O9	442.126382	NA	MeJP	NA	NA
+MJ063952	Halawanone A 	C23H22O9	442.126382	NA	MeJP	NA	NA
+MJ063953	Lasiocarpin A; 3-Hydroxy 	C23H22O9	442.126382	NA	MeJP	NA	NA
+MJ063954	Villol 	C23H22O9	442.126382	NA	MeJP	NA	NA
+PJ001516	ACCF 	C18H26N4O5S2	442.1345	NA	PeJP	NA	NA
+C03206	12-Dehydrotetracycline	C22H22N2O8	442.1376	NA	KEGG	NA	NA
+C07654	Methacycline	C22H22N2O8	442.1376	NA	KEGG	NA	NA
+MJ063955	Metacycline 	C22H22N2O8	442.137615	NA	MeJP	NA	NA
+MJ063956	12-Dehydrotetracycline 	C22H22N2O8	442.137615	NA	MeJP	NA	NA
+MetaCyc03569	12-dehydrotetracycline [1-dimethylamino-2,4&alpha;,7,11-tetrahydroxy-11-methyl-4,5,6-trioxo- 4&alpha;,11,12,12&alpha;-tetrahydro-1H-tetracene-3-carboxamide;]	C22H22N2O8	442.137616	NA	metacyc	NA	NA
+MJ063957	5-Benzoyl-2,3-dihydro-4-hydroxy-2-(1-hydroxyisopropyl)-9-phenyl-7H-furo[2,3-f][1]benzopyran-7-one 	C27H22O6	442.141638	NA	MeJP	NA	NA
+MJ063958	6-Benzoyl-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-4-phenyl-2H-furo[2,3-h]-1-benzopyran-2-one 	C27H22O6	442.141638	NA	MeJP	NA	NA
+MJ063959	Bequinostatin B; 6-Deoxy, 5,6-didehydro 	C27H22O6	442.141638	NA	MeJP	NA	NA
+MJ063960	Mulberrofuran H 	C27H22O6	442.141638	NA	MeJP	NA	NA
+MJ063961	Rubioncolin C 	C27H22O6	442.141638	NA	MeJP	NA	NA
+PJ001517	GDDH 	C16H22N6O9	442.1449	NA	PeJP	NA	NA
+MJ063962	3-[[6-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-N,N-dimethylbenzamide 	C22H20F2N4O4	442.145261	NA	MeJP	NA	NA
+MJ063963	1-O-Cinnamoylglucose; 6-O-?-L-Arabinofuranosyl 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063964	1-O-Coumaroylglycerol, 3-Ac, 2-O-?-D-glucopyranoside 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063965	2-Hydroxymethyl-2-butene-1,4-diol; 4-(3,4-Dihydroxycinnamoyl), 1-O-?-D-glucopyranoside 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063966	2-Hydroxymethyl-2-butene-1,4-diol; 5-(3,4-Dihydroxycinnamoyl), 1-O-?-D-glucopyranoside 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063967	2-O-Coumaroylglycerol, 3-Ac, 1-O-?-D-glucopyranoside 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063968	Eurycomanol; 13,18-Dihydro, 13?,18-dihydroxy, 2-ketone 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063969	Rhamnosyllactone A 	C20H26O11	442.147511	NA	MeJP	NA	NA
+MJ063970	Yadanziolide B 	C20H26O11	442.147511	NA	MeJP	NA	NA
+PJ001518	GTCY 	C18H26N4O7S	442.1522	NA	PeJP	NA	NA
+MJ063971	Antibiotic RP 1551-1; 3'-Deoxy, 2',3'-didehydro 	C25H27ClO5	442.154701	NA	MeJP	NA	NA
+MJ063972	Antibiotic RP 1551-3 	C25H27ClO5	442.154701	NA	MeJP	NA	NA
+FL5FFCNI0003	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone	C24H26O8	442.16276	132537-16-7	knapsack	NA	NA
+FLIAFLNI0001	6-Prenylisocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone	C24H26O8	442.16276	132923-42-3	knapsack	NA	NA
+MJ063973	2',4',5,5',7,8-Hexahydroxy-6-prenylisoflavone; 2',4',5',8-Tetra-Me ether 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063974	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-(3-Methyl-2-butenyl), 3,3',5,8-tetra-Me ether 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063975	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-di-Me ether, 9,9'-di-Ac 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063976	6,8,15-Trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 8-(4-Hydroxyphenylacetyl), Me ester 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063977	Deacylinteriorin; 7-Ac 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063978	Deacylschiarisanrin; 10-Ac 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063979	Decursidinol, 3'-O-Angeloyl, 4'-O-(2,3-epoxy-2-methylbutanoyl) 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063980	Drummondin C 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063981	Isomallotochromanol; 3-Deoxy, 3,4-didehydro 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063982	Khellactone, 10-O-(2,3-Epoxy-2-methylbutanoyl), 9-angeloyl 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063983	Mallotochromene 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063984	Norlobaric acid 	C24H26O8	442.162767	NA	MeJP	NA	NA
+MJ063985	Podophyllotoxin; 8'-Epimer, Et ether 	C24H26O8	442.162767	NA	MeJP	NA	NA
+C09013	Mallotochromene	C24H26O8	442.1628	NA	KEGG	NA	NA
+PJ001519	SPCH 	C17H26N6O6S	442.1635	NA	PeJP	NA	NA
+C02822	Cortisol 21-sulfate	C21H30O8S	442.1661	NA	KEGG	NA	NA
+MetaCyc03570	cortisol 21-sulfate []	C21H30O8S1	442.166139	NA	metacyc	NA	NA
+MJ063986	?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-D-fucose 	C17H30O13	442.168641	NA	MeJP	NA	NA
+PJ001520	SSSY 	C18H26N4O9	442.17	NA	PeJP	NA	NA
+3582	NA	YGGF	442.173	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ063987	Singapurensine A 	C23H26N2O7	442.174001	NA	MeJP	NA	NA
+MJ063988	Vomicine; 11-Methoxy, 19?,20?-epoxide, 15-hydroxy 	C23H26N2O7	442.174001	NA	MeJP	NA	NA
+MJ063989	Calteridol 	C17H29CaN4O7(-)	442.17404	NA	MeJP	NA	NA
+MJ063990	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-O-Phosphate 	C21H31O8P	442.175654	NA	MeJP	NA	NA
+MJ063991	Diain 	C22H31ClO7	442.175831	NA	MeJP	NA	NA
+MJ063992	Perrottetin E; 10'-Hydroxy 	C28H26O5	442.178023	NA	MeJP	NA	NA
+MJ063993	Perrottetin E; 14'-Hydroxy 	C28H26O5	442.178023	NA	MeJP	NA	NA
+MJ063994	Perrottetin E; 3'-Hydroxy 	C28H26O5	442.178023	NA	MeJP	NA	NA
+MJ063995	Shanciguol 	C28H26O5	442.178023	NA	MeJP	NA	NA
+PJ001521	GTEH 	C17H26N6O8	442.1812	NA	PeJP	NA	NA
+MJ063996	3-Phenyl-2-propen-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside 	C21H30O10	442.183897	NA	MeJP	NA	NA
+MJ063997	4-(2-Propenyl)phenol; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O10	442.183897	NA	MeJP	NA	NA
+MJ063998	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 11?,13-Dihydro, 15-O-?-D-glucopyranoside 	C21H30O10	442.183897	NA	MeJP	NA	NA
+MJ063999	8-Decene-4,6-diyn-1-ol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O10	442.183897	NA	MeJP	NA	NA
+MJ064000	Serruloside 	C21H30O10	442.183897	NA	MeJP	NA	NA
+C10474	Lusitanicoside	C21H30O10	442.1839	NA	KEGG	NA	NA
+PJ001522	NFY 	C22H26N4O6	442.1852	NA	PeJP	NA	NA
+PJ001523	GGFY 	C22H26N4O6	442.1853	NA	PeJP	NA	NA
+MJ064001	Siratiazem 	C24H30N2O4S	442.192628	NA	MeJP	NA	NA
+PJ001524	THW 	C21H26N6O5	442.1965	NA	PeJP	NA	NA
+FL2FA8NI0005	Exiguaflavanone M	C25H30O7	442.19915	156281-23-1	knapsack	NA	NA
+FL2FAANI0013	Lonchocarpol B	C25H30O7	442.19915	111545-12-1	knapsack	NA	NA
+MJ064002	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 1,4-Quinone, 2-angeloyl, 8-O-(2,3-epoxy-2-methylbutanoyl) 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064003	3,14-Dihydroxycacalol, 3-Ac, 9-propanoyl, 14-angeloyl 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064004	3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2,8-Diangeloyl 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064005	4',5,7-Trihydroxy-6,8-diprenylflavanone, 2''',3'''-Dihydro, 2''',3'''-dihydroxy 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064006	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6,9-Diangeloyl 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064007	6,9-Dihydroxy-4-oxo-2,11(13)-pseudoguaiadien-12,8-olide, 6-Angeloyl, 9-(3-methyl-2-butenoyl) 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064008	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8,11-Diangeloyl 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064009	Chrodrimanin A 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064010	Colensoic acid 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064011	Isochiliolide lactone; 6?-Angeloyloxy 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064012	Isochiliolide lactone; 7?-Angeloyloxy 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064013	Kushenol F; 4'',5''-Dihydro, 5''-hydroxy 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064014	Morinin P 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064015	Phyllanthocic acid; Me ester 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064016	Picrolichenic acid 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064017	Sophoraflavanone G; 8'',9''-Dihydro, 9''-hydroxy 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064018	Tricoccin S16 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064019	Tricoccin S24; 9-Deoxo, 8,9-didehydro 	C25H30O7	442.199153	NA	MeJP	NA	NA
+MJ064020	Tricoccin S30 	C25H30O7	442.199153	NA	MeJP	NA	NA
+8062	synthetic peptide	RHM	442.1994	antioxidative	Inhouse_peptide	NA	peptide
+PJ001525	GVMH 	C18H30N6O5S	442.1999	NA	PeJP	NA	NA
+MJ064021	Kalihinol A; 10-Formamide, 5-isothiocyanate 	C22H35ClN2O3S	442.205691	NA	MeJP	NA	NA
+MJ064022	Kalihinol Xamide 	C22H35ClN2O3S	442.205691	NA	MeJP	NA	NA
+PJ001526	PPTE 	C19H30N4O8	442.2064	NA	PeJP	NA	NA
+MJ064023	10,11-Dimethoxy-1-methyldeacetylpicraline 	C24H30N2O6	442.210386	NA	MeJP	NA	NA
+MJ064024	Aspidoalbine; 18-Oxo 	C24H30N2O6	442.210386	NA	MeJP	NA	NA
+MJ064025	Cathovaline; 7-Hydroxy 	C24H30N2O6	442.210386	NA	MeJP	NA	NA
+MJ064026	Kopsinaline; 12-Methoxy, N-methoxycarbonyl 	C24H30N2O6	442.210386	NA	MeJP	NA	NA
+MJ064027	Picraphylline; 11,12-Dimethoxy 	C24H30N2O6	442.210386	NA	MeJP	NA	NA
+PJ001527	MHR 	C17H30N8O4S	442.2111	NA	PeJP	NA	NA
+MJ064028	6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one, 1-Octanoyl 	C23H35ClO6	442.212216	NA	MeJP	NA	NA
+MJ064029	Idenburgene 	C29H30O4	442.214409	NA	MeJP	NA	NA
+PJ001528	SSLH 	C18H30N6O7	442.2176	NA	PeJP	NA	NA
+MJ064030	?-[(2-Carboxyethyl)thio]-2-(8-phenyloctyl)benzenepropanoic acid 	C26H34O4S	442.21778	NA	MeJP	NA	NA
+MJ064031	2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol, 6-Ac 	C22H34O9	442.220282	NA	MeJP	NA	NA
+MJ064032	Brefeldin A; 7-O-?-D-Galactopyranoside 	C22H34O9	442.220282	NA	MeJP	NA	NA
+MJ064033	Ryanodol; 10-Ac 	C22H34O9	442.220282	NA	MeJP	NA	NA
+PJ001529	PPVM 	C20H34N4O5S	442.225	NA	PeJP	NA	NA
+PJ001530	GPNR 	C17H30N8O6	442.2289	NA	PeJP	NA	NA
+C16931	Cinobufagin	C26H34O6	442.2355	NA	KEGG	NA	NA
+MJ064034	1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 1-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064035	1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 2-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064036	1,3,5,14-Tetrahydroxybufa-20,22-dienolide, 1,3,5-Orthoacetate 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064037	1,9-Dihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 1-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064038	12-Hydroxyvilasinin; 12-Ketone 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064039	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 16-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064040	4(15)-Eudesmene-1,2,6-triol, 6-Benzoyl, 1,2-di-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064041	7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064042	7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064043	Bufotalin; 3-Ketone 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064044	Creticacoumarin 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064045	Deparnol 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064046	Drimachone 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064047	Farnochrol; 10',11'-Dihydro, 10'-oxo 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064048	Farnochrol; 10',11'-Epoxide 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064049	Karatavicinol; 11'-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064050	Nimolicinoic acid 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064051	O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-O-Ac 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064052	Secodriol; 3''-Aldehyde 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064053	Strobilurin I; 2''-O-(1,1-Dimethyl-2-propenyl) 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064054	Strobilurin I; 2''-O-(3-Methyl-2-butenyl) 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064055	Strobilurin M 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064056	Tricoccin S22 	C26H34O6	442.235538	NA	MeJP	NA	NA
+MJ064057	Tripartol 	C26H34O6	442.235538	NA	MeJP	NA	NA
+PJ001531	PVVE 	C20H34N4O7	442.2428	NA	PeJP	NA	NA
+MJ064058	6-Bromo-5,9-tetracosadienoic acid 	C24H43BrO2	442.244643	NA	MeJP	NA	NA
+MJ064059	Aspidospermidine, N1-(?-D-xylo-Hexos-4-uloside) 	C25H34N2O5	442.246772	NA	MeJP	NA	NA
+MJ064060	11-(4-Acetylphenyl)-17,23-epoxy-19,24-dinorchola-4,9,20-trien-3-one 	C30H34O3	442.250794	NA	MeJP	NA	NA
+PJ001532	APQK 	C19H34N6O6	442.254	NA	PeJP	NA	NA
+MJ064061	1,6,10-Farnesatriene-3,9-diol; 9-O-(2-O-Acetyl-?-D-glucopyranoside) 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064062	1,6,10-Farnesatriene-3,9-diol; 9-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064063	3,5,6,10,14,16-Grayanotoxanehexol, 14-(2-Hydroxypropanoyl) 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064064	3,5,6,10,14,16-Grayanotoxanehexol, 14-(2S-Hydroxypropanoyl) 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064065	3,5,6,7,10,14,16-Grayanotoxaneheptol, 14-Propanoyl 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064066	3,5,6,7,10,14,16-Grayanotoxaneheptol, 6-Propanoyl 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064067	3,5,6,7,10,14,16-Grayanotoxaneheptol, 7-Propanoyl 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064068	3,7-Dimethyl-1,6-octadien-3-ol, O-[2-O-Acetyl-6-O-(2-methylbutanoyl)-?-D-glucopyranoside] 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064069	3,7-Dimethyl-1,6-octadien-3-ol, O-[2-O-Acetyl-6-O-(3-methylbutanoyl)-?-D-glucopyranoside] 	C23H38O8	442.256668	NA	MeJP	NA	NA
+MJ064070	Leucocidin 	C23H38O8	442.256668	NA	MeJP	NA	NA
+2580	tenecin-1 (35-43)	NGKRVCVCRG	442.25845	MH2+	Inhouse_peptide	NA	peptide
+2581	tenecin-1 (34-43)	CNGKRVCVCRG	442.25845	MH2+	Inhouse_peptide	NA	peptide
+MJ064071	Dotarizine 	C29H34N2O2	442.262028	NA	MeJP	NA	NA
+MJ064072	12,25-Dihydroxy-15,17-scalaradien-24,25-olide, 12-Ac 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064073	2,12-Dihydroxyspirosta-4,7-dien-3-one 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064074	2,9-Dihydroxy-4,10(14)-oplopadien-3-one, 2,9-Bis(3-Methyl-2E-pentenoyl) 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064075	3,14-Dihydroxy-15-beyeren-19-al; 14-Tigloyl, 3-Ac 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064076	3,6-Dihydroxyspirostan-12-one, Diketone 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064077	3-Hydroxyspirost-5-ene-7,11-dione 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064078	Amentadione 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064079	Amentaepoxide 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064080	Amentol 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064081	Armentaepoxide 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064082	Bifurcarenone 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064083	Comnostin A; 23-Carboxylic acid 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064084	Cyclolinteinol; Ac 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064085	Cystoseirol B 	C27H38O5	442.271924	NA	MeJP	NA	NA
+MJ064086	Cystoseirol D 	C27H38O5	442.271924	NA	MeJP	NA	NA
+PJ001533	PTLL 	C21H38N4O6	442.2792	NA	PeJP	NA	NA
+MJ064087	Alnespirone 	C26H38N2O4	442.283157	NA	MeJP	NA	NA
+MJ064088	Mazipredone 	C26H38N2O4	442.283157	NA	MeJP	NA	NA
+PJ001534	APKK 	C20H38N6O5	442.2904	NA	PeJP	NA	NA
+MJ064089	1,3-Dihydroxy-5,24-withadienolide 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064090	1-(2-Hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraene-5,12-diol 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064091	11-Eremophilene-3,8,9-triol, 9-Ketone, 3-(5-methyl-2,4,6-dodecatrienoyl)(E,E,E-) 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064092	12-Hydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, Ac 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064093	16,18,20-Trihydroxyergosta-1,4,22-trien-3-one 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064094	17-Hydroxypregn-4-ene-3,20-dione, Heptanoyl 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064095	2,22-Dihydroxy-24,29-dinor-4-friedelene-3,21-dione 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064096	2-(5,12-Dihydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-4-methoxy-6-methylphenol 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064097	21-Hydroxypregn-4-ene-3,20-dione; Heptanoyl 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064098	22,24-Epoxy-7,25-dihydroxyergosta-1,4-dien-3-one 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064099	3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064100	5'-Hydroxy-12'-oxohalidrol 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064101	5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064102	Anthosterone A 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064103	Atomaric acid 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064104	Colletochin 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064105	Maesol 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064106	Paxisterol 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064107	Petuniasterone C 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064108	Petuniasterone F 	C28H42O4	442.308309	NA	MeJP	NA	NA
+MJ064109	Striatol 	C28H42O4	442.308309	NA	MeJP	NA	NA
+PJ001535	VVLL 	C22H42N4O5	442.3155	NA	PeJP	NA	NA
+MJ064110	6'-Apo-?-caroten-6'-al 	C32H42O	442.323565	NA	MeJP	NA	NA
+MJ064111	Antibiotic Sch 38511 	C24H46N2O5	442.340672	NA	MeJP	NA	NA
+MJ064112	Fluvirucin B; Fluvirucin B1 	C24H46N2O5	442.340672	NA	MeJP	NA	NA
+MJ064113	11-Hydroxystigmast-22-ene-3,6-dione 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064114	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Decanoyl 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064115	17-Hydroxyestr-4-en-3-one; 17?-form, Undecanoyl 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064116	24-Hydroperoxystigmasta-4,28-dien-3-one; 24?-form 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064117	3,11-Dihydroxystigmasta-7,20-dien-6-one 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064118	3,13-Dihydroxy-24-nor-28-lupanoic acid, 28?13 Lactone 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064119	3,18-Dihydroxy-28-nor-12-oleanen-16-one 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064120	5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064121	5,8-Epidioxy-23-norgorgost-6-en-3-ol 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064122	5,8-Epidioxystigmasta-6,22-dien-3-ol 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064123	5,8-Epidioxystigmasta-6,24(28)-dien-3-ol 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064124	Aragusterol E 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MJ064125	Cyclamigenin A2 	C29H46O3	442.344695	NA	MeJP	NA	NA
+MetaCyc03571	4&alpha;-carboxy-4&beta;-methyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C29H46O3	442.344695	NA	metacyc	NA	NA
+HMDB01181	4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	C29H46O3	442.344696	NA	HMDB2010	NA	NA
+HMDB06927	4a-Methylzymosterol-4-carboxylic acid	C29H46O3	442.344696	NA	HMDB2010	NA	NA
+HMDB01181	4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	C29H46O3	442.3447	http://www.hmdb.ca/metabolites/HMDB01181	HMDB	NA	NA
+HMDB02998	Testosterone decanoate	C29H46O3	442.3447	http://www.hmdb.ca/metabolites/HMDB02998	HMDB	NA	NA
+HMDB06927	4alpha-Methylzymosterol-4-carboxylate	C29H46O3	442.3447	http://www.hmdb.ca/metabolites/HMDB06927	HMDB	NA	NA
+C14607	Testosterone decanoate	C29H46O3	442.3447	NA	KEGG	NA	NA
+C15808	4alpha-Methylzymosterol-4-carboxylate	C29H46O3	442.3447	NA	KEGG	NA	NA
+HMDB01181	4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol	C29H46O3	442.3447	HMDB01181	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02998	Testosterone decanoate	C29H46O3	442.3447	HMDB02998	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06927	4alpha-Methylzymosterol-4-carboxylate	C29H46O3	442.3447	HMDB06927	PFEM_hmdb_metabocards_official	NA	NA
+MJ064126	3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+MJ064127	3,20-Diaminopregn-5-en-2-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+MJ064128	3,20-Diaminopregn-5-en-2-ol, N20,N20-Di-Me, N3-tigloyl 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+MJ064129	3-Aminosolanidan-23-ol, N-Formyl 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+MJ064130	Buxodienine I; N3,N20-Di-Me, N3-Ac 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+MJ064131	Cyclovirobuxeine I; N3,N3,N20-Tri-Me, N20-formyl 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+MJ064132	Solanocapsine; 22,N-Didehydro, Me ether 	C28H46N2O2	442.355928	NA	MeJP	NA	NA
+HMDB01242	Obtusifoliol	C30H50O2	442.38107	http://www.hmdb.ca/metabolites/HMDB01242	HMDB	NA	NA
+HMDB02360	Erythrodiol	C30H50O2	442.38107	http://www.hmdb.ca/metabolites/HMDB02360	HMDB	NA	NA
+HMDB02391	Uvaol	C30H50O2	442.38107	http://www.hmdb.ca/metabolites/HMDB02391	HMDB	NA	NA
+HMDB01242	Obtusifoliol	C30H50O2	442.38107	HMDB01242	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02360	Erythrodiol	C30H50O2	442.38107	HMDB02360	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02391	Uvaol	C30H50O2	442.38107	HMDB02391	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01242	Obtusifoliol	C30H50O2	442.381073	NA	HMDB2010	NA	NA
+HMDB02360	Erythrodiol	C30H50O2	442.381073	NA	HMDB2010	NA	NA
+HMDB02391	Uvaol	C30H50O2	442.381073	NA	HMDB2010	NA	NA
+HMDB12159	4,4-Dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol	C30H50O2	442.381073	NA	HMDB2010	NA	NA
+MJ064133	1-Hydroxyeuph-25-en-3-one 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064134	12-Gammacerene-3,21-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064135	12-Lupene-3,27-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064136	12-Neohopene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064137	12-Oleanene-1,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064138	12-Oleanene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064139	12-Oleanene-3,11-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064140	12-Oleanene-3,15-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064141	12-Oleanene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064142	12-Oleanene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064143	12-Oleanene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064144	12-Oleanene-3,27-diol; 3?-form 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064145	12-Oleanene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064146	12-Oleanene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064147	12-Oleanene-3,6-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064148	12-Ursene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064149	12-Ursene-3,11-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064150	12-Ursene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064151	12-Ursene-3,24-diol; 3?-form 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064152	12-Ursene-3,27-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064153	12-Ursene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064154	12-Ursene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064155	12-Ursene-3,30-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064156	13(18)-Neohopene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064157	13(18)-Oleanene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064158	13(18)-Oleanene-3,11-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064159	13(18)-Oleanene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064160	13(18)-Oleanene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064161	13,17,21-Polypodatriene-3,8-diol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064162	14-Hydroxy-3-taraxeranone; 14?-form 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064163	14-Serratene-3,21-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064164	14-Taraxerene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064165	14-Taraxerene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064166	14-Taraxerene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064167	14-Taraxerene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064168	14-Taraxerene-3,7-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064169	15,18,21,24,27-Triacontapentaenoic acid 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064170	15-Hydroxy-3-friedelanone; 15?-form 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064171	16,21-Pachysanadiene-3,28-diol, 21,22-Dihydro 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064172	17(21)-Hopen-3-ol, 17?,21?-Epoxide 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064173	18-Oleanene-1,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064174	18-Oleanene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064175	18-Oleanene-3,11-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064176	18-Oleanene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064177	18-Oleanene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064178	19,28-Epoxy-3-oleananol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064179	2,3-Friedelanediol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064180	2,3-Friedelanediol; 3?-form, 2-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064181	2,6,10,15,19,23-Hexamethyl-2,10,14,22-tetracosatetraene-7,18-dione 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064182	2-Hydroxy-2,3-seco-3-friedelanoic acid; Lactone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064183	20(29)-Lupen-3-ol, 20?,29-Epoxide 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064184	20(29)-Lupene-1,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064185	20(29)-Lupene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064186	20(29)-Lupene-3,11-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064187	20(29)-Lupene-3,15-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064188	20(29)-Lupene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064189	20(29)-Lupene-3,23-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064190	20(29)-Lupene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064191	20(29)-Lupene-3,27-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064192	20(29)-Lupene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064193	20(29)-Lupene-3,6-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064194	20(29)-Lupene-3,7-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064195	20(30)-Lupene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064196	20(30)-Taraxastene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064197	20(30)-Taraxastene-3,21-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064198	20,24-Epoxy-25-dammaren-3-ol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064199	20-Hydroxydammar-24-en-3-one 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064200	20-Taraxasten-3-ol, 20?,21?-Epoxide 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064201	20-Taraxastene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064202	20-Taraxastene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064203	20-Taraxastene-3,28-diol; 3?-form 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064204	20-Taraxastene-3,6-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064205	21,26-Dihydroxy-3-friedelanone; 21?-form, 21-Deoxy 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064206	22(30)-Hopene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064207	22,28-Epoxyhopan-29-ol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064208	22-Methyl-29-norcycloart-20-ene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064209	24,25-Epoxycycloartan-3-ol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064210	24-Isopropenylcholest-7-ene-3,6-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064211	24-Isopropylcholesta-5,22-diene-3,7-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064212	25-Hydroxy-3-friedelanone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064213	25-Hydroxydammar-20(22)-en-3-one; 20(22)Z-form 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064214	28,29-Cyclo-20,28-hopanediol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064215	29-Hopanol, 29-Carboxylic acid 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064216	3,16-Friedelanediol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064217	3,20-Taraxastanediol, 20-Epimer, 3-ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064218	3,21-Friedelanediol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064219	3,21-Gammaceranediol, 21-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064220	3,22-Hopanediol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064221	3,22-Stictanediol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064222	3,28-Friedelanediol; 3?-form, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064223	3,29-Friedelanediol, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064224	3,30-Friedelanediol; 3?-form, 3-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064225	3,30-Friedelanediol; 3?-form, 30-Aldehyde 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064226	3,4-Seco-14-taraxeren-3-oic acid 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064227	3,4-Seco-4(23)-friedelen-3-oic acid 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064228	3,4-Seco-4(23)-stictene-3,22-diol; 22?-form, 3-Aldehyde 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064229	3,7-Friedelanediol, 7-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064230	3-Hydroxy-27-friedelanal 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064231	3-Hydroxycycloartan-24-one 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064232	3-Hydroxylanost-8-en-7-one 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064233	4-Hydroxy-21-shionen-3-one 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064234	4-Methylenestigmast-8(14)-ene-3,7-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064235	5-Adianene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064236	5-Adianene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064237	5-Glutinene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064238	5-Glutinene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064239	6,22-Hopanediol; 6?-form, 6-Ketone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064240	6-Hydroxy-3-friedelanone 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064241	7,23-Tirucalladiene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064242	7-Baurene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064243	7-Fernen-25-ol; 7?,8?-Epoxide 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064244	7-Fernene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064245	8(26),14(27)-Onoceradiene-3,21-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064246	8-Multiflorene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064247	9(11)-Arborinene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064248	9(11)-Fernene-2,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064249	9(11)-Fernene-3,12-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064250	Calaminthadiol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064251	Canaric acid; 4,23-Dihydro 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064252	Cycloart-20-ene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064253	Cycloart-22-ene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064254	Cycloart-23-ene-16,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064255	Cycloart-23-ene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064256	Cycloart-24-ene-3,16-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064257	Cycloart-24-ene-3,21-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064258	Cycloart-24-ene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064259	Cycloart-24-ene-3,26-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064260	Cycloart-24-ene-3,28-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064261	Cycloart-25-ene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064262	Cycloart-25-ene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064263	Cycloart-5-ene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064264	Dammara-20(22),24-diene-3,12-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064265	Dammara-20,23-diene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064266	Dammara-20,24-dien-3-ol, 24,25-Epoxy 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064267	Dammara-20,25-diene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064268	Ergost-5-en-3-ol, Ac 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064269	Eupha-7,24-diene-1,3-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064270	Eupha-7,24-diene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064271	Eupha-7,24-diene-3,26-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064272	Eupha-8,23-diene-3,25-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064273	Eupha-8,25-diene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064274	Gorgost-5-ene-3,11-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064275	Iridogermanal; 10,21-Dideoxy 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064276	Isocalaminthadiol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064277	Lanosta-8,24-diene-3,21-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064278	Lanosta-8,24-diene-3,22-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064279	Lanosta-8,24-diene-3,23-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064280	Lanosta-9(11),25-diene-3,24-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064281	Nyctanthic acid; 4,23-Dihydro 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064282	Opigenin 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064283	Protosta-17(20),24-diene-3,29-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064284	Reissantenol oxide 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064285	Roburic acid; 4,23-Dihydro 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064286	Tamarixol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MJ064287	Tirucalla-7,24-diene-3,23-diol 	C30H50O2	442.38108	NA	MeJP	NA	NA
+MetaCyc03572	4,4-dimethyl-14&alpha;-hydroxymethyl-5&alpha;-cholesta-8,24-dien-3&beta;-ol []	C30H50O2	442.381081	NA	metacyc	NA	NA
+MetaCyc03573	sophoradiol []	C30H50O2	442.381081	NA	metacyc	NA	NA
+MetaCyc03574	olean-12-ene-3&beta;,24-diol []	C30H50O2	442.381081	NA	metacyc	NA	NA
+C08618	Betulin	C30H50O2	442.3811	NA	KEGG	NA	NA
+C08622	Dipterocarpol	C30H50O2	442.3811	NA	KEGG	NA	NA
+C15274	Allobetulinol	C30H50O2	442.3811	NA	KEGG	NA	NA
+MJ064288	Buxus Alkaloid D 	C29H50N2O	442.392314	NA	MeJP	NA	NA
+MJ064289	Cycloprotobuxine I; N3,N20,N20-Tri-Me, N3-Ac 	C29H50N2O	442.392314	NA	MeJP	NA	NA
+MJ064290	Cyclovirobuxine I; N3-Isopropylidene, N20,N20-di-Me 	C29H50N2O	442.392314	NA	MeJP	NA	NA
+MJ064291	Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl) 	C29H50N2O	442.392314	NA	MeJP	NA	NA
+MJ064292	Glycerol 1-alkanoates; Glycerol 1-tetracosanoate 	C27H54O4	442.40221	NA	MeJP	NA	NA
+HMDB11558	MG(0:0/24:0/0:0)	C27H54O4	442.402222	NA	HMDB2010	NA	NA
+HMDB11588	MG(24:0/0:0/0:0)	C27H54O4	442.402222	NA	HMDB2010	NA	NA
+MJ064293	17-Methyl-3-hopanol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064294	2-Methyl-22-hopanol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064295	2-Methyl-5,10,16,22,27-triacontapentaen-15-ol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064296	24-Ethyl-29-norlanost-9(11)-en-3-ol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064297	26,26-Dimethylstigmast-25(27)-en-3-ol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064298	3-Friedelanol; 3?-form, Me ether 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064299	3-Methyl-22-hopanol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064300	3-Methyl-29-hopanol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064301	4-Methylgorgostan-3-ol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064302	Cyclonervilol; 22,23-Dihydro 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064303	Cycloswietenol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064304	Tetrahymanol 	C31H54O	442.417466	NA	MeJP	NA	NA
+MJ064305	4-Methyl-3,9,11-hexacosanetriol; 3-Me ether 	C28H58O3	442.438595	NA	MeJP	NA	NA
+3479	adrenorphin	YGGFMRR	442.7077	MH2+	Inhouse_peptide	NA	peptide
+MJ064306	2,3,5,6-Tetrabromo-1H-indole; N-Me 	C9H5Br4N	442.715549	NA	MeJP	NA	NA
+MJ064307	4,6-Dibromo-2,3-bis(methylthio)-1H-indole; 5-Bromo 	C10H8Br3NS2	442.764828	NA	MeJP	NA	NA
+MJ064308	Convolutamine A; N-De-Me 	C12H16Br3NO2	442.873116	NA	MeJP	NA	NA
+C13743	Adenosine 5-O-(3-thiodiphophate)	C10H15N5O9P2S	443.0066	NA	KEGG	NA	NA
+MJ064309	Sulazuril 	C17H15Cl2N3O5S	443.010946	NA	MeJP	NA	NA
+C08069	Econazole nitrate	C18H15Cl3N2O	443.0206	NA	KEGG	NA	NA
+MJ064310	Alternatamide B; 2-Debromo 	C17H23Br2N3O	443.020787	NA	MeJP	NA	NA
+MJ064311	Alternatamide B; 6-Debromo 	C17H23Br2N3O	443.020787	NA	MeJP	NA	NA
+C00035	GDP	C10H15N5O11P2	443.0243	NA	KEGG	NA	NA
+HMDB01201	GDP	C10H15N5O11P2	443.02432	http://www.hmdb.ca/metabolites/HMDB01201	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01201	GDP	C10H15N5O11P2	443.02432	http://www.hmdb.ca/metabolites/HMDB01201	HMDB	NA	NA
+HMDB01201	GDP	C10H15N5O11P2	443.02432	http://www.hmdb.ca/metabolites/HMDB01201	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01201	GDP	C10H15N5O11P2	443.02432	HMDB01201	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01201	Guanosine diphosphate	C10H15N5O11P2	443.024323	NA	HMDB2010	NA	NA
+MJ064312	Guanosine 5'-diphosphate 	C10H15N5O11P2	443.024329	NA	MeJP	NA	NA
+MJ064313	GDP 	C10H15N5O11P2	443.024329	NA	MeJP	NA	NA
+MetaCyc03575	GDP [ppG;guanosine-5'-diphosphate;guanosine-diphosphate;]	C10H15N5O11P2	443.024329	146-91-8	metacyc	NA	NA
+MJ064314	Trantelinium(1+); Bromide 	C23H26BrNO3	443.109606	NA	MeJP	NA	NA
+MJ064315	Fumoxicillin 	C21H21N3O6S	443.115106	NA	MeJP	NA	NA
+MJ064316	Clofluperol 	C22H22ClF4NO2	443.127519	NA	MeJP	NA	NA
+MJ064317	4-[[[1-(4-Fluorophenyl)-3-(1-methylethyl)-1H-indol-2-yl]ethynyl]hydroxyphosphinyl]-3-hydroxybutanoic acid 	C23H23FNO5P	443.129787	NA	MeJP	NA	NA
+MJ064318	Flutizenol 	C20H24F3N3OS2	443.131288	NA	MeJP	NA	NA
+MJ064319	Oxyphenisatin; O,O,N-Tri-Ac 	C26H21NO6	443.136887	NA	MeJP	NA	NA
+MJ064320	2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H25NO11	443.14276	NA	MeJP	NA	NA
+MJ064321	Flumeridone 	C22H23ClFN5O2	443.15243	NA	MeJP	NA	NA
+PJ001536	MMY 	C19H29N3O5S2	443.1549	NA	PeJP	NA	NA
+C00415	Dihydrofolate	C19H21N7O6	443.1553	NA	KEGG	NA	NA
+C00416	Phosphatidate	C5H7O8PR2	443.1553	NA	KEGG	NA	NA
+HMDB01056	Dihydrofolic acid	C19H21N7O6	443.15533	http://www.hmdb.ca/metabolites/HMDB01056	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01056	Dihydrofolic acid	C19H21N7O6	443.15533	http://www.hmdb.ca/metabolites/HMDB01056	HMDB	NA	NA
+HMDB01056	Dihydrofolic acid	C19H21N7O6	443.15533	http://www.hmdb.ca/metabolites/HMDB01056	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01056	Dihydrofolic acid	C19H21N7O6	443.15533	HMDB01056	PFEM_hmdb_metabocards_official	NA	NA
+MJ064322	Dihydrofolate 	C19H21N7O6	443.155331	NA	MeJP	NA	NA
+MJ064323	7,8-Dihydrofolic acid 	C19H21N7O6	443.155331	NA	MeJP	NA	NA
+MetaCyc03576	7,8-dihydrofolate [H2PteGlu;FH2;H2PteGlu1;dihydrofolate;DHF;7,8-dihydropteroylglutamate;]	C19H21N7O6	443.155331	4033-27-6	metacyc	NA	NA
+HMDB01056	Dihydrofolic acid	C19H21N7O6	443.155334	NA	HMDB2010	NA	NA
+MJ064324	2-Acetyl-2-decarboxamidotetracycline 	C23H25NO8	443.158016	NA	MeJP	NA	NA
+MJ064325	Colchifoline; O2-De-Me, O2-Ac 	C23H25NO8	443.158016	NA	MeJP	NA	NA
+PJ001537	GCQH 	C16H25N7O6S	443.1587	NA	PeJP	NA	NA
+MJ064326	Eurypamide B 	C22H25N3O7	443.16925	NA	MeJP	NA	NA
+PJ001538	DFY 	C22H25N3O7	443.1693	NA	PeJP	NA	NA
+CJneg0599	Phe Tyr Asp (and isomers) [(M-H)]-	C22H24N3O7	443.169825	C18rt(min)=5.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0599	Phe Tyr Asp (and isomers) [(M-H)]-	C22H24N3O7	443.169825	C18rt(min)=5.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ064327	Tiotixene 	C23H29N3O2S2	443.170118	NA	MeJP	NA	NA
+MJ064328	Gougerotin 	C16H25N7O8	443.17646	NA	MeJP	NA	NA
+MJ064329	Ningnanmycin 	C16H25N7O8	443.17646	NA	MeJP	NA	NA
+PJ001539	SSNH 	C16H25N7O8	443.1765	NA	PeJP	NA	NA
+MJ064330	Lometrexol 	C21H25N5O6	443.180483	NA	MeJP	NA	NA
+MJ064331	Pyroglutamylglutaminyltryptophan 	C21H25N5O6	443.180483	NA	MeJP	NA	NA
+PJ001540	PPCQ 	C18H29N5O6S	443.1839	NA	PeJP	NA	NA
+PJ001541	MFF 	C23H29N3O4S	443.1879	NA	PeJP	NA	NA
+7942	synthetic peptide	YYV	443.194	antioxidative	Inhouse_peptide	NA	peptide
+7956	synthetic peptide	VYY	443.194	antioxidative	Inhouse_peptide	NA	peptide
+7960	synthetic peptide	YVY	443.194	antioxidative	Inhouse_peptide	NA	peptide
+MJ064332	Cohrisitine 	C24H29NO7	443.194402	NA	MeJP	NA	NA
+MJ064333	Demecolcine, N-Ethoxycarbonyl 	C24H29NO7	443.194402	NA	MeJP	NA	NA
+MJ064334	Nuciferine, O2-De-Me, O-?-D-glucopyranoside 	C24H29NO7	443.194402	NA	MeJP	NA	NA
+PJ001542	GCKH 	C17H29N7O5S	443.1951	NA	PeJP	NA	NA
+PJ001543	APQE 	C18H29N5O8	443.2016	NA	PeJP	NA	NA
+C02203	Z-Tyr-Leu-NHOH	C23H29N3O6	443.2056	NA	KEGG	NA	NA
+PJ001544	VYY 	C23H29N3O6	443.2056	NA	PeJP	NA	NA
+MJ064335	Bephenium(1+); 3-Hydroxy-2-naphthoate salt (1:1) 	C28H29NO4	443.209658	NA	MeJP	NA	NA
+PJ001545	GPDR 	C17H29N7O7	443.2129	NA	PeJP	NA	NA
+MJ064336	Pyroglutamyllysyltryptophan 	C22H29N5O5	443.216869	NA	MeJP	NA	NA
+PJ001546	AAPW 	C22H29N5O5	443.2169	NA	PeJP	NA	NA
+PJ001547	PPCK 	C19H33N5O5S	443.2203	NA	PeJP	NA	NA
+MJ064337	Fructigenine A 	C27H29N3O3	443.220891	NA	MeJP	NA	NA
+2869	opioid peptide	YPFPGPIP	443.222	MH2+	Inhouse_peptide	NA	peptide
+7501	ACE inhibitor from b-CN (60-66)	YPFPGPIP	443.222	MH2+	Inhouse_peptide	NA	peptide
+3984	NA	GMNRSPIL	443.22865	MH2+	Inhouse_peptide	NA	peptide
+C12177	Proansamitocin	C25H33NO6	443.2308	NA	KEGG	NA	NA
+PJ001548	APKE 	C19H33N5O7	443.238	NA	PeJP	NA	NA
+8292	ACE inhibitor	QLGFLGPR	443.2445	MH2+	Inhouse_peptide	NA	peptide
+PJ001549	APTR 	C18H33N7O6	443.2493	NA	PeJP	NA	NA
+MJ064338	Ajaconine; 15-Epimer, di-Ac 	C26H37NO5	443.267173	NA	MeJP	NA	NA
+MJ064339	Lucidusculine; O12-Ac 	C26H37NO5	443.267173	NA	MeJP	NA	NA
+MJ064340	Nakijiquinone B 	C26H37NO5	443.267173	NA	MeJP	NA	NA
+MJ064341	Spiramine Z 	C26H37NO5	443.267173	NA	MeJP	NA	NA
+MJ064342	Stachybotrin; 7-Me ether 	C26H37NO5	443.267173	NA	MeJP	NA	NA
+PJ001550	SPLK 	C20H37N5O6	443.2744	NA	PeJP	NA	NA
+PJ001551	GVLR 	C19H37N7O5	443.2856	NA	PeJP	NA	NA
+PJ001552	LRR 	C18H37N9O4	443.2969	NA	PeJP	NA	NA
+MJ064343	Daphnimacrine 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064344	Edpetine 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064345	Jervine; 1?-Hydroxy, 5?,6-dihydro 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064346	Piericidin; Piericidin A2, 10'-Me ether 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064347	Piericidin; Piericidin A3 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064348	Piericidin; Piericidin A5, 10'-Me ether 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064349	Veratrenone 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+MJ064350	Yibeissine 	C27H41NO4	443.303558	NA	MeJP	NA	NA
+PJ001553	ALLK 	C21H41N5O5	443.3108	NA	PeJP	NA	NA
+HMDB13154	12-Hydroxy-12-octadecanoylcarnitine	C25H49NO5	443.361084	NA	HMDB2010	NA	NA
+MJ064351	Methyl 3-(tricosadienyl)-1H-pyrrole-2-carboxylate 	C29H49NO2	443.376329	NA	MeJP	NA	NA
+MJ064352	Homohexamine; N10-(4-Aminobutyl) 	C24H57N7	443.467544	NA	MeJP	NA	NA
+MJ064353	Homohexamine; N5-(4-Aminobutyl) 	C24H57N7	443.467544	NA	MeJP	NA	NA
+MJ064354	Homopentamine; N5,N10-Bis(4-aminobutyl) 	C24H57N7	443.467544	NA	MeJP	NA	NA
+MJ064355	Homopentamine; N5,N15-Bis(4-aminobutyl) 	C24H57N7	443.467544	NA	MeJP	NA	NA
+MJ064356	4-Bromo-5-(dibromomethylene)-3-(1-hydroxybutyl)-2(5H)-furanone, Ac 	C11H11Br3O4	443.820746	NA	MeJP	NA	NA
+MJ064357	Neoarsphenamine 	C13H14As2N2O4S	443.91062	NA	MeJP	NA	NA
+MJ064358	Trimedoxime(2+); Dibromide 	C15H18Br2N4O2	443.979651	NA	MeJP	NA	NA
+C16616	6-Mercaptopurine ribonucleoside 5'-diphosphate	C10H14N4O10P2S	443.9906	NA	KEGG	NA	NA
+MJ064359	Tris(3-hydroxy-2-methyl-4H-pyran-4-onato-O3,O4)gallium(III) 	C18H15GaO9	443.997187	NA	MeJP	NA	NA
+C01337	XDP	C10H14N4O12P2	444.0083	NA	KEGG	NA	NA
+C13962	Chloramphenicol sodium succinate	C15H15Cl2N2O8	444.0103	NA	KEGG	NA	NA
+MJ064360	5',5''-Methylenebis[5-(3-buten-1-ynyl)-2,2'-bithiophene] 	C25H16S4	444.013483	NA	MeJP	NA	NA
+MJ064361	Fringelite F; 3,4-Dideoxy 	C28H12O6	444.063388	NA	MeJP	NA	NA
+MJ064362	Constictic acid; ?-Ac 	C21H16O11	444.069261	NA	MeJP	NA	NA
+MJ064363	Tetracenomycin C; 3,8-Di-O-de-Me 	C21H16O11	444.069261	NA	MeJP	NA	NA
+MJ064364	Xanthoviridicatin G 	C25H16O8	444.084517	NA	MeJP	NA	NA
+MJ064365	Sirodesmin A; 1-Epimer, O-de-Ac 	C18H24N2O7S2	444.102492	NA	MeJP	NA	NA
+MJ064366	Sirodesmin A; O-De-Ac 	C18H24N2O7S2	444.102492	NA	MeJP	NA	NA
+MJ064367	Bulgecin C 	C14H24N2O12S	444.104994	NA	MeJP	NA	NA
+C06799	Granaticin	C22H20O10	444.1056	NA	KEGG	NA	NA
+FL3FADCS0018	3'-O-Methylderhamnosylmaysin	C22H20O10	444.10564	-	knapsack	NA	NA
+FLIA1CGS0001	Pseudobaptigenin 7-O-glucoside;Rothindin	C22H20O10	444.10564	63347-43-3	knapsack	NA	NA
+MJ064368	2',5,6,7-Tetrahydroxyisoflavone; 6,7-Methylene, 5-Me ether, 2'-O-?-D-xylopyranoside 	C22H20O10	444.105646	NA	MeJP	NA	NA
+MJ064369	7-Hydroxy-3',4'-methylenedioxyisoflavone; O-?-D-Glucopyranoside 	C22H20O10	444.105646	NA	MeJP	NA	NA
+MJ064370	Granaticin A 	C22H20O10	444.105646	NA	MeJP	NA	NA
+MJ064371	Griseusin B, 4-Hydroxy, lactone 	C22H20O10	444.105646	NA	MeJP	NA	NA
+MJ064372	Salazinic acid; 1',1''-Di-Et ether 	C22H20O10	444.105646	NA	MeJP	NA	NA
+MJ064373	Versiconol; 3',4'-Di-Ac 	C22H20O10	444.105646	NA	MeJP	NA	NA
+MJ064374	Sermetacin 	C22H21ClN2O6	444.108814	NA	MeJP	NA	NA
+PJ001554	GCCY 	C17H24N4O6S2	444.1137	NA	PeJP	NA	NA
+FL3FRNNP0003	Artomunoxanthentrione;6-Hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione	C26H20O7	444.1209	139921-73-6	knapsack	NA	NA
+MJ064375	Imbricatonol 	C26H20O7	444.120902	NA	MeJP	NA	NA
+MJ064376	Khellactone, 9-O-(3-Methylthio-2-propenoyl), 10-angeloyl 	C23H24O7S	444.124273	NA	MeJP	NA	NA
+MJ064377	Khellactone, 10-O-(3-Methylthio-2-propenoyl), 9-angeloyl 	C23H24O7S	444.124273	NA	MeJP	NA	NA
+MJ064378	Scandoside; 6-Epimer, 10-Ac, Me ester 	C19H24O12	444.126776	NA	MeJP	NA	NA
+MJ064379	Luprostiol 	C21H29ClO6S	444.137337	NA	MeJP	NA	NA
+MetaCyc03577	desacetylmycothiol [1-D-myo-inosityl-2-(L-cysteinyl)amido-2-deoxy-&alpha;-D-glucopyranoside;Cys-GlcN-Ins;]	C15H28N2O11S1	444.14138	NA	metacyc	NA	NA
+FL3FBBCS0001	7-Hydroxy-5,4'-dimethoxyflavone 8-C-rhamnoside;8-(6-Deoxy-alpha-L-mannopyranosyl)-7-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C23H24O9	444.14203	106132-79-0	knapsack	NA	NA
+FL5FGANI0001	Pratensin B	C23H24O9	444.14203	142609-01-6	knapsack	NA	NA
+FL5FGANI0002	5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate	C23H24O9	444.14203	142609-03-8	knapsack	NA	NA
+FLIACBCS0001	Isovolubilin	C23H24O9	444.14203	56317-19-2	knapsack	NA	NA
+FLIACBCS0002	Volubilin	C23H24O9	444.14203	56312-87-9	knapsack	NA	NA
+MJ064380	1,2-Dicoumaroylglycerol, 3',3''-Dimethoxy 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064381	1,3-Dicoumaroylglycerol, 3',3''-Dimethoxy 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064382	1,5-Bis(3,4-dihydroxyphenyl)-1-penten-4-yne; 4'-O-?-D-Glucopyranoside 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064383	3,4',5,6,7,8-Hexahydroxyflavone; 3,6,7-Tri-Me ether, 8-O-(2-methylbutanoyl) 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064384	3-Methoxypodophyllotoxin 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064385	4',5,7-Trihydroxy-8-rhamnopyranosylflavone; 4',5-Di-Me ether 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064386	4-[2-(4-Hydroxyphenyl)ethyl]-2-benzofurancarboxylic acid; ?-D-Glucopyranosyl ester 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064387	7-Hydroxy-3',4',5',6-tetramethoxy-4,5-methylenedioxy-2,7'-cyclolignan-9',9-olide 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064388	Heliobuphthalmin; 5-Methoxy 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064389	Isovolubilin 	C23H24O9	444.142032	NA	MeJP	NA	NA
+MJ064390	Volubilin 	C23H24O9	444.142032	NA	MeJP	NA	NA
+PJ001555	GCEH 	C16H24N6O7S	444.1427	NA	PeJP	NA	NA
+MJ064391	?-D-Galactopyranosyl-(1?3)-?-L-arabinofuranosyl-(1?3)-L-arabinose 	C16H28O14	444.147905	NA	MeJP	NA	NA
+MJ064392	D-Galactopyranosyl-(1?4)-D-xylopyranosyl-(1?2)-L-arabinose 	C16H28O14	444.147905	NA	MeJP	NA	NA
+MJ064393	?-D-Xylopyranosyl-(1?4)-?-D-xylopyranosyl-(1?6)-D-glucose 	C16H28O14	444.147905	NA	MeJP	NA	NA
+MJ064394	Halometasone 	C22H27ClF2O5	444.151508	NA	MeJP	NA	NA
+MJ064395	Iocanlidic acid 	C21H33IO2	444.152523	NA	MeJP	NA	NA
+MJ064396	6-Deoxy-5-hydroxytetracycline 	C22H24N2O8	444.153265	NA	MeJP	NA	NA
+MJ064397	Tetracycline 	C22H24N2O8	444.153265	NA	MeJP	NA	NA
+C06570	Tetracycline	C22H24N2O8	444.1533	NA	KEGG	NA	NA
+C06973	Doxycycline	C22H24N2O8	444.1533	NA	KEGG	NA	NA
+C06974	Transferred to D00308	C22H24N2O8	444.1533	NA	KEGG	NA	NA
+MJ064398	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(2-Ethoxy-3-hydroxy-2-methylpropanoyl) 	C21H29ClO8	444.155095	NA	MeJP	NA	NA
+PJ001556	CHW 	C20H24N6O4S	444.158	NA	PeJP	NA	NA
+C07815	Fluticasone	C22H27F3O4S	444.1582	NA	KEGG	NA	NA
+MJ064399	Fluticasone 	C22H27F3O4S	444.158214	NA	MeJP	NA	NA
+MJ064400	Yunnanmycin 	C16H24N6O9	444.160476	NA	MeJP	NA	NA
+PJ001557	SSDH 	C16H24N6O9	444.1605	NA	PeJP	NA	NA
+CJpos0792	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+	C20H29O11	444.162575	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0792	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+	C20H29O11	444.162575	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ064401	4'-Hydroxyacetophenone; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C20H28O11	444.163161	NA	MeJP	NA	NA
+MJ064402	Antirrhinoside; 6-O-(3-Methyl-2-butenoyl) 	C20H28O11	444.163161	NA	MeJP	NA	NA
+MJ064403	Antirrhinoside; 6-O-Angeloyl 	C20H28O11	444.163161	NA	MeJP	NA	NA
+CJneg0600	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]-	C20H27O11	444.163725	C18rt(min)=8.68 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0600	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]-	C20H27O11	444.163725	C18rt(min)=8.68 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ001558	PPCE 	C18H28N4O7S	444.1679	NA	PeJP	NA	NA
+MJ064404	Asterriquinol D; 2',3'-Dihydro, 2'-oxo, di-Me ether 	C26H24N2O5	444.168521	NA	MeJP	NA	NA
+MJ064405	Petromurin C 	C26H24N2O5	444.168521	NA	MeJP	NA	NA
+C16807	Difenacoum	C31H24O3	444.1725	NA	KEGG	NA	NA
+CJneg0601	Phe Tyr Asp (and isomers) [(M-H)]- (13C)	C2113CH24N3O7	444.173125	C18rt(min)=5.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0601	Phe Tyr Asp (and isomers) [(M-H)]- (13C)	C2113CH24N3O7	444.173125	C18rt(min)=5.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ064406	2'-Angeloyl-9-isovaleryloxy-8,9-dihydrooroselol 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064407	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,3',4,4'-Tetra-Me ether, 8-Ac 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064408	3,3',4,4',9,9'-Hexahydroxylignan, 3',4'-Methylene, 3-Me ether, 9,9'-di-Ac 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064409	3,3',4,4',9,9'-Hexahydroxylignan, 3,4-Methylene, 3'-Me ether, 9,9'-di-Ac 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064410	8,9-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-(2-acetoxymethyl-2E-butenoyl), 9-Ac 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064411	Binankadsurin A; 7-Ac 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064412	Bipinnatin B; 11,12-Deepoxy(Z-), 17-deoxo 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064413	Dihydrooroselol, O-(3S-Angeloyloxy-2R-hydroxy-2-methylbutanoyl) 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064414	Dihydrooroselol, O-[2R-Hydroxy-2-methyl-3S-(3-methyl-2-butenoyloxy)butanoyl] 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064415	Eupomatilone 2 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064416	Glomelliferic acid; O-De-Me 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064417	Kadsumarin A 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064418	Mallotochromene; 3,4-Dihydro 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064419	Mallotojaponin 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064420	Miriquidic acid; O-De-Me 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064421	Mortonin A; 2?-Acetoxy 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064422	Protosiphulin 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064423	Steganoate A; 8-Epimer, 6-methoxy 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064424	Steganolide A 	C24H28O8	444.178417	NA	MeJP	NA	NA
+MJ064425	Wortmin 	C24H28O8	444.178417	NA	MeJP	NA	NA
+8083	peptide derived from tuna cooking juice	PSHDAHPE	444.17895	MH2+	Inhouse_peptide	NA	peptide
+PJ001559	GTMH 	C17H28N6O6S	444.1791	NA	PeJP	NA	NA
+PJ001560	APEE 	C18H28N4O9	444.1857	NA	PeJP	NA	NA
+MetaCyc03578	4-amino-4-deoxy-THF []	C19H24N8O5	444.186966	NA	metacyc	NA	NA
+MJ064426	Carapanaubine; N-Oxide 	C23H28N2O7	444.189651	NA	MeJP	NA	NA
+MJ064427	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(3-Chloro-2-hydroxy-2-methylbutanoyl), 4-Ac 	C22H33ClO7	444.191481	NA	MeJP	NA	NA
+MJ064428	Ciltoprazine 	C23H29ClN4O3	444.192818	NA	MeJP	NA	NA
+MJ064429	4-(4-Chlorophenyl)-4-hydroxy-?,?-diphenyl-1-piperidinepentanenitrile 	C28H29ClN2O	444.196841	NA	MeJP	NA	NA
+PJ001561	STTH 	C17H28N6O8	444.1969	NA	PeJP	NA	NA
+MJ064430	1,4,15-Trihydroxy-11(13)-eudesmen-12,6-olide, 15-O-?-D-Glucopyranoside 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064431	2-Isopropyl-5-methylphenol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064432	3,11,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 4?,15-Dihydro, 3-O-?-D-glucopyranoside 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064433	3,11,14-Trihydroxy-1(10),4-germacradien-12,6-olide, 3-O-?-D-Glucopyranoside 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064434	Dihydrophaseic acid; 3-O-?-D-Glucopyranoside 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064435	Ebuloside 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064436	Patrinoside; 10-Deoxy, 8,10-didehydro 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064437	Penstemide 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064438	Serruloside; 7,8?-Dihydro 	C21H32O10	444.199547	NA	MeJP	NA	NA
+MJ064439	Mitoxantrone 	C22H28N4O6	444.200884	NA	MeJP	NA	NA
+C11195	Mitoxantrone	C22H28N4O6	444.2009	NA	KEGG	NA	NA
+PJ001562	PPTM 	C19H32N4O6S	444.2043	NA	PeJP	NA	NA
+MJ064440	Aurantiamide; O-Ac 	C27H28N2O4	444.204907	NA	MeJP	NA	NA
+MJ064441	Nitromifene 	C27H28N2O4	444.204907	NA	MeJP	NA	NA
+MJ064442	Quinine; O-(2-Hydroxybenzoyl) 	C27H28N2O4	444.204907	NA	MeJP	NA	NA
+PJ001563	AAHF 	C21H28N6O5	444.2121	NA	PeJP	NA	NA
+MJ064443	1,3,5,7(14),10-Bisabolapentaene-1,2,4,8-tetrol; 2-Me ether, 8-angeloyl, 1,4-di-Ac 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064444	14,15-Epoxy-3,10,16-trihydroxy-19-norbufa-20,22-dienolide, 16-Ac 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064445	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 9-(3-methyl-2-butenoyl), 14-(2-methylbutanoyl) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064446	15,16-Epoxy-2,3,4-trihydroxy-1(10),13(16),14-clerodatrien-20,12-olide, 3-Angeloyl 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064447	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8,17-Didehydro, 3-angeloyl 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064448	2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-propanoyl, 14-Ac 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064449	2,14-Dihydroxycacalol; 2?-form, 2-O-(3-Methylbutanoyl), 9-O-propanoyl, 14-Ac 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064450	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-Ac 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064451	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(6,7-Dihydroxy-2,6-dimethyl-2-octenoyl)(E-) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064452	3,4:15,16-Diepoxy-6,10-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-Angeloyl 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064453	3,6,15-Trihydroxyfuranoeremophilan-9-one, 3-Angeloyl, 6-(3-methyl-2-butenoyl) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064454	3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3,6-Diangeloyl 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064455	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 6-Angeloyl, 9-(2-methylbutanoyl) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064456	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl] 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064457	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[2-(2-Hydroxymethyl-2Z-butenoyloxy)methyl]-2E-butenoyl] 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064458	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[4-Hydroxy-2-(2-methyl-2E-butenoyloxy)methyl]-2E-butenoyl] 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064459	Andibenin A 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064460	Anziaic acid; 2'-Me ether 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064461	Anziaic acid; 4-Me ether 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064462	Auricepyrone 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064463	Austalide J 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064464	Clausenolide; 11-Deoxy 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064465	Clavulones, 17,18-Didehydro(Z-) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064466	Imbricaric acid; 2,2'-Di-Me ether 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064467	Isochiliolide lactone; 6?-(2-Methylbutanoyloxy) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064468	Seconidorella lactone; 6-Angeloyl 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064469	Stenosporic acid; 2,2'-Di-Me ether 	C25H32O7	444.214803	NA	MeJP	NA	NA
+MJ064470	Tenellic acid B; 1''-O-(2-Methylpropyl) 	C25H32O7	444.214803	NA	MeJP	NA	NA
+3796	NA	WWPKHH~	444.218	MH2+	Inhouse_peptide	NA	peptide
+MJ064471	Nupafant 	C23H32N4O3S	444.219511	NA	MeJP	NA	NA
+3281	NA	CRRETAWAC	444.222	MH2+	Inhouse_peptide	NA	peptide
+PJ001564	SPLE 	C19H32N4O8	444.222	NA	PeJP	NA	NA
+C12959	Dimetacrine tartrate	C20H26N2	444.226	NA	KEGG	NA	NA
+C12960	Transferred to D01509	C20H26N2	444.226	NA	KEGG	NA	NA
+C12961	Transferred to D01510	C20H26N2	444.226	NA	KEGG	NA	NA
+MJ064472	13-Hydroxylupanine; O-(3-Hydroxy-4,5-dimethoxybenzoyl) 	C24H32N2O6	444.226036	NA	MeJP	NA	NA
+MJ064473	4,13-Dihydroxylupanine, O13-(3,4-Dimethoxybenzoyl) 	C24H32N2O6	444.226036	NA	MeJP	NA	NA
+MJ064474	3-tert-Butyl-1-propyl-5-[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-1H-pyrazole-4-carboxylic acid 	C25H28N6O2	444.227374	NA	MeJP	NA	NA
+2615	synthetic peptide inhibitors of (PEP)	VYPFPGPI	444.23	MH2+	Inhouse_peptide	NA	peptide
+7492	ACE inhibitor (from bovine b-CN)	VYPFPGPI	444.23	MH2+	Inhouse_peptide	NA	peptide
+MJ064475	3,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one, 3-Cinnamoyl 	C29H32O4	444.230059	NA	MeJP	NA	NA
+MJ064476	Artocarpol A 	C29H32O4	444.230059	NA	MeJP	NA	NA
+MJ064477	Artocarpol C 	C29H32O4	444.230059	NA	MeJP	NA	NA
+PJ001565	SPNK 	C18H32N6O7	444.2333	NA	PeJP	NA	NA
+PJ001566	PVVM 	C20H36N4O5S	444.2407	NA	PeJP	NA	NA
+PJ001567	AAQR 	C17H32N8O6	444.2445	NA	PeJP	NA	NA
+MJ064478	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Butanoyl, 14-Ac 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064479	Antibiotic GR 95647X 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064480	Bufotalin 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064481	Deacylcylindrol; 4'-Propanoyl 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064482	Prednisolone; 17-Pentanoyl 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064483	Prednisolone; 21-(2,2-Dimethylpropanoyl) 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064484	Secodriol 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064485	Tricoccin S13; 17?-Hydroxy 	C26H36O6	444.251188	NA	MeJP	NA	NA
+MJ064486	Tricoccin S13; 28-Hydroxy 	C26H36O6	444.251188	NA	MeJP	NA	NA
+C16923	Bufotalin	C26H36O6	444.2512	NA	KEGG	NA	NA
+PJ001568	NRR 	C16H32N10O5	444.2557	NA	PeJP	NA	NA
+MJ064487	Antibiotic I1 	C20H36N4O7	444.258399	NA	MeJP	NA	NA
+PJ001569	ALLE 	C20H36N4O7	444.2584	NA	PeJP	NA	NA
+MetaCyc03579	sn-3-o-(geranylgeranyl)glyceryl 1-phosphate []	C23H41O6P1	444.264076	NA	metacyc	NA	NA
+C04590	sn-3-O-(Geranylgeranyl)glycerol 1-phosphate	C23H41O6P	444.2641	NA	KEGG	NA	NA
+MJ064488	4'-Oxo-4,4'-diapocaroten-4-oic acid 	C30H36O3	444.266445	NA	MeJP	NA	NA
+MJ064489	Adociacetylene B 	C30H36O3	444.266445	NA	MeJP	NA	NA
+MJ064490	Apoastacenal 	C30H36O3	444.266445	NA	MeJP	NA	NA
+MJ064491	Difurocumenone 	C30H36O3	444.266445	NA	MeJP	NA	NA
+PJ001570	GLQK 	C19H36N6O6	444.2697	NA	PeJP	NA	NA
+MJ064492	1,6-Farnesadiene-3,12-diol; 3-O-(2-O-Acetyl-?-D-glucopyranoside) 	C23H40O8	444.272318	NA	MeJP	NA	NA
+MJ064493	Abyssinine B; N-De-Me 	C24H36N4O4	444.273655	NA	MeJP	NA	NA
+PJ001571	AAKR 	C18H36N8O5	444.2809	NA	PeJP	NA	NA
+MJ064494	Broussonetine I; N-Ac 	C22H40N2O7	444.283551	NA	MeJP	NA	NA
+HMDB00969	1,25-Dihydroxyvitamin D3-26,23-lactone	C27H40O5	444.287567	NA	HMDB2010	NA	NA
+HMDB00969	1,25-Dihydroxyvitamin D3-26,23-lactone	C27H40O5	444.28757	http://www.hmdb.ca/metabolites/HMDB00969	HMDB	NA	NA
+HMDB00969	1,25-Dihydroxyvitamin D3-26,23-lactone	C27H40O5	444.28757	HMDB00969	PFEM_hmdb_metabocards_official	NA	NA
+MJ064495	1-(2,5-Dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-2,6-hexadecadiene-5,12-dione 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064496	12,15-Dihydroxy-3,13-clerodadien-2-one, 15-Angeloyl, 12-Ac 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064497	12,25-Dihydroxy-16-scalaren-24,25-olide, 12-Ac 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064498	2,3-Dihydroxyspirost-5-en-12-one 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064499	2,3-Dihydroxyspirost-9(11)-en-12-one 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064500	2,3-Dihydroxyspirostan-12-one, 25,27-Didehydro 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064501	24,25-Epoxy-16-scalarene-3,12,25-triol, 3-Ketone, 12-Ac 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064502	3,16-Dihydroxyspirost-5-en-11-one 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064503	3,25-Dihydroxyspirost-5-en-11-one 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064504	3,26-Dihydroxycholest-5-ene-11,16,22-trione 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064505	3,26-Dihydroxycholest-5-ene-12,16,22-trione 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064506	3-Heptyl-7-hydroxy-7-methyl-7H-2-benzopyran-6,8-dione; Decanoyl 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064507	3-Hydroxyspirostane-2,12-dione 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064508	Afurigenin 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064509	Amphidinolide K 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064510	Chinensin I 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064511	Chrysochlamic acid 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064512	Cladocoran B; 18-Ac 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064513	Daldinin A; Daldinin A1 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064514	Foetidinol 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064515	Fusaproliferin 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064516	Hypercalin A 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064517	Inorolide A 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064518	Inorolide C 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064519	Luffarin E; 21-Aldehyde, di-Me acetal 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064520	Neomanoalide, 24-Ac 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064521	Scalarolbutenolide 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064522	Spirost-5-ene-3,15,23-triol, 15-Ketone 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064523	Spirosta-5,25(27)-diene-1,2,3-triol 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064524	Spirosta-5,25(27)-diene-1,3,11-triol 	C27H40O5	444.287574	NA	MeJP	NA	NA
+MJ064525	Spirosta-5,25(27)-diene-1,3,23-triol 	C27H40O5	444.287574	NA	MeJP	NA	NA
+PJ001572	SLLL 	C21H40N4O6	444.2948	NA	PeJP	NA	NA
+MJ064526	Menatetrenone 	C31H40O2	444.30283	NA	MeJP	NA	NA
+MJ064527	Triophaxanthin 	C31H40O2	444.30283	NA	MeJP	NA	NA
+PJ001573	GLKK 	C20H40N6O5	444.306	NA	PeJP	NA	NA
+MJ064528	Zeraconine 	C30H40N2O	444.314063	NA	MeJP	NA	NA
+MJ064529	11-Eremophilene-3,8,9-triol, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064530	16,18,20-Trihydroxyergosta-1,4,22-trien-3-one, 1,2-Dihydro 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064531	16,18,20-Trihydroxyergosta-1,4,22-trien-3-one, 4,5-Dihydro 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064532	2-(10,11-Dihydroxygeranylgeranyl)-6-methyl-1,4-benzenediol; 4-Me ether 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064533	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 2-Heptadecyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064534	22,25-Epoxy-24-methylfurost-5-ene-3,20-diol 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064535	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 11-Octadecenyl ester(Z-) 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064536	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(13-Octadecenyl)(Z-) 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064537	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 4-O-(14-Octadecenyl)(Z-) 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064538	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 9-Octadecenyl ester(Z-) 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064539	5,6-Epoxyergosta-8,22-diene-3,7,14-triol 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064540	5,6-Epoxyergosta-8,24(28)-diene-3,7,11-triol 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064541	5,7-Dihydroxy-2-nonadecyl-4H-1-benzopyran-4-one 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064542	5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one, 22,23-Dihydro 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064543	9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25-tetrol 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064544	Antibiotic Mer-NF 8054X; 11-Deoxo 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064545	Bethogenin 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064546	Citreospirosteroid 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064547	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 18-Aldehyde 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064548	Ergosta-5,8,22-triene-3,7-diol, 5?,6?:8?,9?-Diepoxide 	C28H44O4	444.323959	NA	MeJP	NA	NA
+MJ064549	Ergosta-7,22-diene-3,5,6,9-tetrol, 6-Ketone 	C28H44O4	444.323959	NA	MeJP	NA	NA
+HMDB06227	1-alpha,24R,25-Trihydroxyvitamin D2	C28H44O4	444.32397	http://www.hmdb.ca/metabolites/HMDB06227	HMDB	NA	NA
+HMDB06227	1-alpha,24R,25-Trihydroxyvitamin D2	C28H44O4	444.32397	HMDB06227	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06227	1-a,24R,25-Trihydroxyvitamin D2	C28H44O4	444.323975	NA	HMDB2010	NA	NA
+MJ064550	Baleabuxoxazine C 	C27H44N2O3	444.335193	NA	MeJP	NA	NA
+MJ064551	Spirosolan-3-ol, N-Nitroso 	C27H44N2O3	444.335193	NA	MeJP	NA	NA
+C04840	3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate	C29H48O3	444.3603	NA	KEGG	NA	NA
+C08631	Messagenin	C29H48O3	444.3603	NA	KEGG	NA	NA
+MJ064552	17,20-Epoxy-23-methylergost-5-ene-3,22-diol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064553	17-Hydroperoxy-28-nor-3-friedelanone; 17?-form 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064554	17-Hydroxy-28-nor-3-friedelanone; 17?-form, 25-Hydroxy 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064555	23-Methylergosta-5,17(20)-diene-3,22,25-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064556	23-Methylergosta-7,22-diene-3,5,6-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064557	23-Norgorgost-5-ene-1,3,11-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064558	23-Norgorgost-7-ene-3,5,6-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064559	24-Hydroperoxystigmasta-5,28-dien-3-ol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064560	24-Methylene-28,29-dinorcycloartane-3,4,6-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064561	29-Norlanosta-8,23-diene-3,25-diol, 25-Hydroperoxide 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064562	29-Norlanosta-8,24-diene-1,2,3-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064563	29-Norlanosta-8,25-diene-3,24-diol, 24-Hydroperoxide 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064564	3,11-Dihydroxystigmast-7-en-6-one 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064565	3-(4-Hydroxyphenyl)-2-propenoic acid, Eicosyl ester 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064566	3-Hydroxy-4-methylene-8,14-secoergostane-8,14-dione 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064567	4-Methyl-3,8-dihydroxyergost-24(28)-en-23-one 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064568	5,8-Epidioxystigmasta-6,22-dien-3-ol, 22,23-Dihydro 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064569	5-Hydroperoxystigmasta-6,25-dien-3-ol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064570	6-Hydroxystigmast-4-en-3-one, 6-Hydroperoxide 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064571	Aragusterol B 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064572	Aragusterol G; 3-Ketone 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064573	Ergosta-7,22-diene-2,3,9-triol, 2-Me ether 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064574	Ergosta-7,22-diene-3,5,6-triol, 6-Me ether 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064575	Stigmast-5-ene-3,7,22-triol, 7-Ketone 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064576	Stigmast-7-ene-3,5,6-triol, 6-Ketone 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064577	Stigmasta-5,22-diene-3,7,16-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064578	Stigmasta-5,24(28)-diene-3,29-diol, 29-Hydroperoxide 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064579	Stigmasta-5,25-diene-3,7-diol, 7-Hydroperoxide 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064580	Stigmasta-7,22-diene-3,5,6-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MJ064581	Stigmasta-7,24(28)-diene-3,5,6-triol 	C29H48O3	444.360345	NA	MeJP	NA	NA
+MetaCyc03580	3&beta;-hydroxy-4&beta;-methyl-5&alpha;-cholest-7-ene- 4&alpha;-carboxylate [17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid;]	C29H48O3	444.360345	NA	metacyc	NA	NA
+HMDB11662	3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate	C29H48O3	444.360352	NA	HMDB2010	NA	NA
+HMDB12165	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol	C29H48O3	444.360352	NA	HMDB2010	NA	NA
+MJ064582	3,20-Diaminopregnan-11-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl) 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064583	Buxazine 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064584	Buxidienine I; 16-Epimer, N-tetra-Me (?) 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064585	Cyclobuxoxazine C; N-Me 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064586	Cyclomethoxazine B 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064587	Cyclomicrophylline I; N-Tetra-Me 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064588	Solanocapsine; Me ether 	C28H48N2O2	444.371578	NA	MeJP	NA	NA
+MJ064589	Epithiotriterpene 	C30H52S	444.378972	NA	MeJP	NA	NA
+C08621	Dammarenediol-I	C30H52O2	444.3967	NA	KEGG	NA	NA
+HMDB12160	4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol	C30H52O2	444.396729	NA	HMDB2010	NA	NA
+MJ064590	11,22-Hopanediol; 11?-form 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064591	13,17,21-Polypodatriene-3,8-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064592	15,18,21,24,27-Triacontapentaenoic acid, 27,28-Dihydro 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064593	15,22-Hopanediol; 15?-form 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064594	16,22-Hopanediol; 16?-form 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064595	2,3-Friedelanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064596	20,22-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064597	20,24-Epoxydammaran-25-ol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064598	22,28-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064599	22,29-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064600	24-Isopropylcholesta-5,22-diene-3,7-diol, 22,23-Dihydro 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064601	28,29-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064602	3,14-Taraxeranediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064603	3,16-Friedelanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064604	3,18-Neohopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064605	3,20-Lupanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064606	3,20-Taraxastanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064607	3,21-Gammaceranediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064608	3,22-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064609	3,22-Stictanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064610	3,28-Friedelanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064611	3,29-Friedelanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064612	3,29-Lupanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064613	3,30-Friedelanediol; 3?-form 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064614	3,4-Seco-4(23)-adianene-3,5-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064615	3,4-Seco-4(23)-friedelen-3-oic acid; 4,23-Dihydro 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064616	3,4-Seco-4(23)-friedelene-3,5-diol; 5?-form 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064617	3,5-Ursanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064618	4,23-Dinor-3,4-seco-5(24)-filicen-3-al; Di-Me acetal 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064619	5,9,19,23-Triacontatetraenoic acid 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064620	6,22-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064621	7,22-Hopanediol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064622	7-Onocerene-3,21-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064623	Cucurbit-24-ene-3,5-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064624	Cycloartane-3,21-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064625	Cycloartane-3,25-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064626	Cycloartane-3,29-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064627	Dammar-23-ene-3,25-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064628	Dammar-24-ene-3,20-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064629	Ergost-7-en-3-ol, Methoxymethyl ether 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064630	Lanost-24-ene-3,20-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064631	Lanost-9(11)-ene-3,20-diol 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MJ064632	Stigmast-5-ene-3,7-diol, 7-Me ether 	C30H52O2	444.39673	NA	MeJP	NA	NA
+MetaCyc03581	4&beta;-hydroxymethyl-4&alpha;-methyl-5&alpha;-cholest-7-en-3&beta;-ol [&beta;-hydroxymethyl-4&alpha;-methyl-5&alpha;-cholest-7-en-3&beta;-ol;]	C30H52O2	444.396731	NA	metacyc	NA	NA
+MetaCyc03582	3,20-dihydroxylupane []	C30H52O2	444.396731	NA	metacyc	NA	NA
+2566	regulating cell-permeability peptide	NYKKPKL	444.76195	MH2+	Inhouse_peptide	NA	peptide
+C08101	Cephapirin sodium	C17H16N3O6S2	445.0378	NA	KEGG	NA	NA
+MJ064633	Tiemonium(1+), Iodide 	C18H24INO2S	445.057243	NA	MeJP	NA	NA
+MJ064634	Spiclomazine 	C22H24ClN3OS2	445.104931	NA	MeJP	NA	NA
+MJ064635	5-Oxooctyl glucosinolate 	C15H27NO10S2	445.107637	NA	MeJP	NA	NA
+MJ064636	7-Methoxycephalosporin C 	C17H23N3O9S	445.1155	NA	MeJP	NA	NA
+MJ064637	Chromopyrrolic acid; 5',5''-Dihydroxy, di-Me ester 	C24H19N3O6	445.127385	NA	MeJP	NA	NA
+MJ064638	6-(1-Hydroxyethyl)-4-methyl-3-[[5-[3-[(methylsulfonyl)amino]-1-propenyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 	C18H27N3O6S2	445.134126	NA	MeJP	NA	NA
+C13825	O-Hexanoyl-adnosine monophosphate	C16H24N5O8P	445.1362	NA	KEGG	NA	NA
+MJ064639	Azicemicin A; N-De-Me 	C22H23NO9	445.137281	NA	MeJP	NA	NA
+MJ064640	Pseurotins; Pseurotin E 	C22H23NO9	445.137281	NA	MeJP	NA	NA
+MJ064641	Sulamserod 	C19H28ClN3O5S	445.143819	NA	MeJP	NA	NA
+MJ064642	Metopimazine 	C22H27N3O3S2	445.149383	NA	MeJP	NA	NA
+MJ064643	2-Hydroxy-2-phenylacetamide, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H27NO11	445.15841	NA	MeJP	NA	NA
+MJ064644	Perphenazine; Ac 	C23H28ClN3O2S	445.159075	NA	MeJP	NA	NA
+CJpos0793	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+ (13C)	C1913CH29O11	445.165975	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0793	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+H)]+ (13C)	C1913CH29O11	445.165975	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0602	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C)	C1913CH27O11	445.167025	C18rt(min)=8.68 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0602	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C)	C1913CH27O11	445.167025	C18rt(min)=8.68 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ064645	Glisentide 	C22H27N3O5S	445.167141	NA	MeJP	NA	NA
+MJ064646	Tetrahydrofolate 	C19H23N7O6	445.170981	NA	MeJP	NA	NA
+MetaCyc03583	tetrahydrofolate [H4PteGlu;5,6,7,8-tetrahydrofolic acid;tetrahydrofolic acid;(6S)-tetrahydrofolate;H4PteGlu1;tetrahydropteroyl mono-L-glutamate;tetrahydrafolate;5,6,7,8-tetrahydrofolate;THF;tetra-H-folate;th-folate;FH4;folate-H4;tetrahydropteroylglutamate;H4F;]	C19H23N7O6	445.170982	29347-89-5	metacyc	NA	NA
+HMDB01846	Tetrahydrofolic acid	C19H23N7O6	445.17099	http://www.hmdb.ca/metabolites/HMDB01846	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01846	Tetrahydrofolic acid	C19H23N7O6	445.17099	http://www.hmdb.ca/metabolites/HMDB01846	HMDB	NA	NA
+HMDB01846	Tetrahydrofolic acid	C19H23N7O6	445.17099	http://www.hmdb.ca/metabolites/HMDB01846	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01846	Tetrahydrofolic acid	C19H23N7O6	445.17099	HMDB01846	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01846	Tetrahydrofolic acid	C19H23N7O6	445.17099	NA	HMDB2010	NA	NA
+C00101	Tetrahydrofolate	C19H23N7O6	445.171	NA	KEGG	NA	NA
+MJ064647	Chryseomonin 	C21H26N4O7(+)	445.172324	NA	MeJP	NA	NA
+7951	synthetic peptide	YYT	445.173	ACE inhibitor	Inhouse_peptide	NA	peptide
+7973	synthetic peptide	YTY	445.173	antioxidative	Inhouse_peptide	NA	peptide
+7975	synthetic peptide	TYY	445.173	antioxidative	Inhouse_peptide	NA	peptide
+MJ064648	Dubiusine 	C23H27NO8	445.173666	NA	MeJP	NA	NA
+MJ064649	Narceine 	C23H27NO8	445.173666	NA	MeJP	NA	NA
+C09591	Narceine	C23H27NO8	445.1737	NA	KEGG	NA	NA
+C12240	Dubiusine	C23H27NO8	445.1737	NA	KEGG	NA	NA
+CJneg0603	Phe Tyr Asp (and isomers) [(M-H)]- (13C2)	C2013C2H24N3O7	445.176525	C18rt(min)=5.85 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0603	Phe Tyr Asp (and isomers) [(M-H)]- (13C2)	C2013C2H24N3O7	445.176525	C18rt(min)=5.85 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C13182	Benexate hydrochloride	C23H27N3O4	445.1768	NA	KEGG	NA	NA
+MJ064650	Glipizide 	C21H27N5O4S	445.178375	NA	MeJP	NA	NA
+PJ001574	SPNE 	C17H27N5O9	445.1809	NA	PeJP	NA	NA
+2	Sarcoplasmic	GLSDGEWQ	445.183	MH2+	Inhouse_peptide	NA	peptide
+MJ064651	Tridihexethyl(1+), Iodide 	C21H36INO	445.184158	NA	MeJP	NA	NA
+C07862	Tridihexethyl iodide	C21H36NO	445.1842	NA	KEGG	NA	NA
+C07863	Transferred to D00723	C21H36NO	445.1842	NA	KEGG	NA	NA
+PJ001575	TYY 	C22H27N3O7	445.1849	NA	PeJP	NA	NA
+PJ001576	GNQQ 	C16H27N7O8	445.1921	NA	PeJP	NA	NA
+PJ001577	GGGGGAA 	C16H27N7O8	445.1922	NA	PeJP	NA	NA
+PJ001578	GSPW 	C21H27N5O6	445.1962	NA	PeJP	NA	NA
+PJ001579	APQM 	C18H31N5O6S	445.1995	NA	PeJP	NA	NA
+MJ064652	Avrainvillamide 	C26H27N3O4	445.200156	NA	MeJP	NA	NA
+MJ064653	Apiosporamide; N-Hydroxy 	C24H31NO7	445.210052	NA	MeJP	NA	NA
+MJ064654	Arecolidine 	C24H31NO7	445.210052	NA	MeJP	NA	NA
+MJ064655	Echinatine; 3'-O-(4-Hydroxycinnamoyl) 	C24H31NO7	445.210052	NA	MeJP	NA	NA
+MJ064656	Erysotrine, O16-De-Me, O-?-L-rhamnopyranoside 	C24H31NO7	445.210052	NA	MeJP	NA	NA
+PJ001580	APCR 	C17H31N7O5S	445.2108	NA	PeJP	NA	NA
+PJ001581	GLQE 	C18H31N5O8	445.2173	NA	PeJP	NA	NA
+EUR815	Lyso PE 14:1 [M+Na]+	C19H38NO7P	445.220538	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR815	Lyso PE 14:1 [M+Na]+	C19H38NO7P	445.220538	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR815	Lyso PE 14:1 [M+Na]+	C19H38NO7P	445.220538	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR815	Lyso PE 14:1 [M+Na]+	C19H38NO7P	445.220538	masses lipides attendues	Inhousejuil11	NA	NA
+8015	synthetic peptide	LWQ	445.221	antibacterial	Inhouse_peptide	NA	peptide
+MJ064657	Alternarolide III; Me ether 	C23H31N3O6	445.221285	NA	MeJP	NA	NA
+C16786	AM-toxin I	C23H31N3O6	445.2213	NA	KEGG	NA	NA
+MJ064658	Bengacarboline 	C29H27N5	445.226645	NA	MeJP	NA	NA
+PJ001582	AAER 	C17H31N7O7	445.2285	NA	PeJP	NA	NA
+PJ001583	LQW 	C22H31N5O5	445.2325	NA	PeJP	NA	NA
+PJ001584	APKM 	C19H35N5O5S	445.2359	NA	PeJP	NA	NA
+PJ001585	DRR 	C16H31N9O6	445.2398	NA	PeJP	NA	NA
+MJ064659	Alkaloid GB11; 14-Me ether, O20-deacetyl, 16-Ac 	C25H35NO6	445.246437	NA	MeJP	NA	NA
+MJ064660	Antibiotic F 1839A; N-(2-Hydroxyethyl) 	C25H35NO6	445.246437	NA	MeJP	NA	NA
+MJ064661	Gomandonine; 1,13-Di-Ac 	C25H35NO6	445.246437	NA	MeJP	NA	NA
+MJ064662	Nakijiquinone D 	C25H35NO6	445.246437	NA	MeJP	NA	NA
+MJ064663	Elbanizine 	C26H31N5O2	445.247775	NA	MeJP	NA	NA
+MJ064664	N-[5-(3-Azabicyclo[3.2.2]non-3-yl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea 	C26H31N5O2	445.247775	NA	MeJP	NA	NA
+PJ001586	GLKE 	C19H35N5O7	445.2537	NA	PeJP	NA	NA
+7546	ACE inhibitor	IKW	445.257	antioxidative	Inhouse_peptide	NA	peptide
+8012	synthetic peptide	LWK	445.257	antibacterial	Inhouse_peptide	NA	peptide
+42	Muscle	IKW	445.258	celiac toxic	Inhouse_peptide	NA	peptide
+MJ064665	Protophomin 	C29H35NO3	445.261693	NA	MeJP	NA	NA
+PJ001587	GTLR 	C18H35N7O6	445.2649	NA	PeJP	NA	NA
+PJ001588	LKW 	C23H35N5O4	445.2689	NA	PeJP	NA	NA
+MJ064666	Piericidin; Piericidin A1, 10'-Me ether, 11',12'-epoxide 	C26H39NO5	445.282823	NA	MeJP	NA	NA
+MJ064667	Piericidin; Piericidin A2, 11',12'-Epoxide 	C26H39NO5	445.282823	NA	MeJP	NA	NA
+PJ001589	SVLK 	C20H39N5O6	445.2901	NA	PeJP	NA	NA
+MJ064668	11-[4-(Dimethylamino)phenyl]-4',5'-dihydro-6-methylspiro[estra-4,9-diene-17,2'(3'H)-furan]-3-one 	C30H39NO2	445.298079	NA	MeJP	NA	NA
+MJ064669	2-(2,2-Dimethyl-4-morpholinyl)-3-hydroxypregnane-11,20-dione 	C27H43NO4	445.319208	NA	MeJP	NA	NA
+MJ064670	Alkaloid SN-c 	C27H43NO4	445.319208	NA	MeJP	NA	NA
+MJ064671	Cevane-3,6,20-triol, 6-Ketone, N-oxide (?-) 	C27H43NO4	445.319208	NA	MeJP	NA	NA
+MJ064672	Imperialine; N-Oxide 	C27H43NO4	445.319208	NA	MeJP	NA	NA
+MJ064673	Korsine; N-Oxide 	C27H43NO4	445.319208	NA	MeJP	NA	NA
+MJ064674	Kuroyurinidine 	C27H43NO4	445.319208	NA	MeJP	NA	NA
+MJ064675	3-Desamino-3-hydroxysolanocapsine; O22-Me 	C28H47NO3	445.355594	NA	MeJP	NA	NA
+MJ064676	Anrakorinine 	C28H47NO3	445.355594	NA	MeJP	NA	NA
+MJ064677	Pingbeinine 	C28H47NO3	445.355594	NA	MeJP	NA	NA
+MJ064678	Valivine 	C28H47NO3	445.355594	NA	MeJP	NA	NA
+MJ064679	Methyl 3-(tricosadienyl)-1H-pyrrole-2-carboxylate; Dihydro 	C29H51NO2	445.391979	NA	MeJP	NA	NA
+MJ064680	Solaquidine 	C29H51NO2	445.391979	NA	MeJP	NA	NA
+2571	VV-hemorphin-5	VVYPWTQ	445.7175	MH2+	Inhouse_peptide	NA	peptide
+2588	tenecin-1 (33-42)	YCNGKRVCVCG	445.73945	MH2+	Inhouse_peptide	NA	peptide
+MJ064681	4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, 1''-Iodo, Ac 	C12H16BrIO5	445.922579	NA	MeJP	NA	NA
+MJ064682	Amathaspiramide C; 2-Oxo 	C15H16Br2N2O4	445.947682	NA	MeJP	NA	NA
+MJ064683	Spiroxin D; 1-Ketone, 7,7'-dichloro, 8'-hydroxy 	C20H8Cl2O8	445.959622	NA	MeJP	NA	NA
+FL3FACNSS004	Luteolin 7,3'-disulfate	C15H10O12S2	445.96136	59176-62-4	knapsack	NA	NA
+FL5FAANSS003	Kaempferol 3,7-di-O-sulfate	C15H10O12S2	445.96136	64291-85-6	knapsack	NA	NA
+MJ064684	3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-sulfate 	C15H10O12S2	445.961367	NA	MeJP	NA	NA
+MJ064685	3,4',5,7-Tetrahydroxyflavone; 3,7-Di-O-sulfate 	C15H10O12S2	445.961367	NA	MeJP	NA	NA
+MJ064686	Amathaspiramide C; N1-Me 	C16H20Br2N2O3	445.984067	NA	MeJP	NA	NA
+MJ064687	Caespitol; 6-Hydroxy 	C15H25Br2ClO3	445.985897	NA	MeJP	NA	NA
+MJ064688	Tioclomarol 	C22H16Cl2O4S	446.014635	NA	MeJP	NA	NA
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR245	Thiamine pyrophosphate F7	NA	446.032675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR245	Thiamine pyrophosphate F7	NA	446.032675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR245	Thiamine pyrophosphate F7	NA	446.032675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR245	Thiamine pyrophosphate F7	NA	446.032675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR245	Thiamin pyrophosphate F7	F7	446.032675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ064689	Gluconic acid, Fe(II) salt 	C12H22FeO14	446.035897	NA	MeJP	NA	NA
+C06229	Fe(III)dicitrate	C12H22FeO14	446.0359	NA	KEGG	NA	NA
+MJ064690	18,18-Dibromo-5,17-octadecadien-7-ynoic acid, Me ester 	C19H28Br2O2	446.045605	NA	MeJP	NA	NA
+C08108	Cefuroxime sodium	C16H15N4O8S	446.0508	NA	KEGG	NA	NA
+MJ064691	Securamine A 	C20H20BrClN4O	446.050901	NA	MeJP	NA	NA
+MJ064692	CDPethanolamine 	C11H20N4O11P2	446.06038	NA	MeJP	NA	NA
+MJ064693	Cytidine diphosphate ethanolamine 	C11H20N4O11P2	446.06038	NA	MeJP	NA	NA
+MetaCyc03584	CDP-ethanolamine [cytidine diphosphate ethanolamine;]	C11H20N4O11P2	446.060381	3036-18-8	metacyc	NA	NA
+HMDB01564	CDP-Ethanolamine	C11H20N4O11P2	446.06039	http://www.hmdb.ca/metabolites/HMDB01564	HMDB	NA	NA
+HMDB01564	CDP-Ethanolamine	C11H20N4O11P2	446.06039	HMDB01564	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01564	CDP-Ethanolamine	C11H20N4O11P2	446.060394	NA	HMDB2010	NA	NA
+C00570	CDP-ethanolamine	C11H20N4O11P2	446.0604	NA	KEGG	NA	NA
+MJ064694	Apoaranotin 	C20H18N2O6S2	446.060627	NA	MeJP	NA	NA
+MJ064695	Glucosulfamide 	C13H22N2O11S2	446.0665	NA	MeJP	NA	NA
+MJ064696	Mollicellin C; 2-Chloro 	C22H19ClO8	446.076845	NA	MeJP	NA	NA
+MJ064697	Bromosphaerol 	C20H32Br2O	446.08199	NA	MeJP	NA	NA
+MJ064698	Iriediol; 7-Deoxy 	C20H32Br2O	446.08199	NA	MeJP	NA	NA
+MJ064699	Kahukuene B 	C20H32Br2O	446.08199	NA	MeJP	NA	NA
+C10025	Baicalin	C21H18O11	446.0849	NA	KEGG	NA	NA
+FL3FA8GS0001	5,7,2'-Trihydroxyflavone 7-glucuronide	C21H18O11	446.08491	75853-73-5	knapsack	NA	NA
+FL3FAAGS0009	Apigenin 7-glucuronide	C21H18O11	446.08491	29741-09-1	knapsack	NA	NA
+FL3FAAGS0010	Apigenin 7-galacturonide	C21H18O11	446.08491	56317-11-4	knapsack	NA	NA
+FL3FAAGS0015	Apigenin 4'-glucuronide	C21H18O11	446.08491	51771-57-4	knapsack	NA	NA
+FL3FE9GS0001	Baicalin;Baicalein 7-glucuronide	C21H18O11	446.08491	21967-41-9	knapsack	NA	NA
+FL3FE9GS0003	Baicalein 6-glucuronide	C21H18O11	446.08491	35990-03-5	knapsack	NA	NA
+FL3FF9GS0001	Norwogonin 7-glucuronide	C21H18O11	446.08491	119152-50-0	knapsack	NA	NA
+FL3FF9GS0002	Norwogonin 8-glucuronide	C21H18O11	446.08491	118525-47-6	knapsack	NA	NA
+MJ064700	2',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064701	3',4',7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064702	4',5,7-Trihydroxyflavone; 4'-O-?-D-Glucuronopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064703	4',5,7-Trihydroxyflavone; 7-O-?-D-Galacturonopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064704	4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064705	4,5-Dihydroxyanthraquinone-2-carboxylic acid; 4-O-?-D-Glucopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064706	4,5-Dihydroxyanthraquinone-2-carboxylic acid; 5-O-?-D-Glucopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064707	4,5-Dihydroxyanthraquinone-2-carboxylic acid; ?-D-Glucopyranosyl ester 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064708	5,6,7-Trihydroxyflavone; 6-O-?-D-Glucuronopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064709	5,6,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064710	5,7,8-Trihydroxyflavone; 7-O-?-D-Glucuronoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064711	5,7,8-Trihydroxyflavone; 8-O-?-D-Glucuronoside 	C21H18O11	446.084911	NA	MeJP	NA	NA
+MJ064712	3',4',5,7-Tetrahydroxyflavylium(1+); 4'-O-?-D-Glucopyranuronoside 	C21H19O11(+)	446.084911	NA	MeJP	NA	NA
+MJ064713	Paederosidic acid; ?-Lactone 	C18H22O11S	446.088282	NA	MeJP	NA	NA
+C09795	Paederoside	C18H22O11S	446.0883	NA	KEGG	NA	NA
+C06566	Cephamycin C	C16H22N4O9S	446.1107	NA	KEGG	NA	NA
+C06567	Penicilloic acid	C8H13N2O4SR	446.1107	NA	KEGG	NA	NA
+MJ064714	Cephamycin C 	C16H22N4O9S	446.110749	NA	MeJP	NA	NA
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC007	Cyst Paracétamol glucuronide	NA	446.1118	RT3.8	HMDB	NA	NA
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	Inhouse_PFEM	NA	NA
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC007	Cyst Paracetamol glucuronide	NA	446.1118	RT3.8	PFEM_hmdb_metabocards_official	NA	NA
+MJ064715	Nicafenine 	C24H19ClN4O3	446.114568	NA	MeJP	NA	NA
+FL3F1CGS0004	7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside	C22H22O10	446.12129	33275-43-3	knapsack	NA	NA
+FL3FA8GS0002	Echioidin	C22H22O10	446.12129	6736-71-6	knapsack	NA	NA
+FL3FA8GS0004	Echioidinin 5-O-glucoside;5,2'-Dihydroxy-7-methoxyflavone 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(2-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C22H22O10	446.12129	220170-97-8	knapsack	NA	NA
+FL3FABCS0001	Isocytisoside;Acacetin-6-C-glucoside;6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O10	446.12129	4328-19-2	knapsack	NA	NA
+FL3FABCS0002	Cytisoside;Trematin;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O10	446.12129	2326-34-3	knapsack	NA	NA
+FL3FABGS0001	Acacetin 7-glucoside;Apigenin 4'-methyl ether 7-glucoside;tilianin;moldavoside	C22H22O10	446.12129	4291-60-5	knapsack	NA	NA
+FL3FABGS0002	Acacetin 7-galactoside	C22H22O10	446.12129	35013-09-3	knapsack	NA	NA
+FL3FACGM0001	3-C-Methylluteolin 5-rhamnoside	C22H22O10	446.12129	87339-64-8	knapsack	NA	NA
+FL3FADGS0003	Luteolin 3'-methyl ether 7-rhamnoside	C22H22O10	446.12129	61110-08-5	knapsack	NA	NA
+FL3FCACS0003	Swertisin;6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone;7-O-Methylapigenin 6-C-beta-D-glucopyranoside;Flavocommelitin;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C22H22O10	446.12129	02/10/6991	knapsack	NA	NA
+FL3FCACS0004	Isoswertisin;7-O-Methylvitexin;Isoflavocommelitin;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C22H22O10	446.12129	6980-40-1	knapsack	NA	NA
+FL3FCAGS0001	Apigenin 7-methyl ether 5-glucoside	C22H22O10	446.12129	552-52-3	knapsack	NA	NA
+FL3FCAGS0002	Apigenin 7-methyl ether 4'-glucoside	C22H22O10	446.12129	20486-36-6	knapsack	NA	NA
+FL3FCCGS0002	Luteolin 7-methyl ether 4'-rhamnoside	C22H22O10	446.12129	31159-36-1	knapsack	NA	NA
+FL3FE9GS0005	Baicalein 6-methyl ether 7-glucoside	C22H22O10	446.12129	36948-77-3	knapsack	NA	NA
+FL3FE9GS0010	6,7-Dihydroxy-5-methoxyflavone 7-glucoside	C22H22O10	446.12129	150036-31-0	knapsack	NA	NA
+FL3FE9GS0014	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside;6-(beta-D-Glucopyranosyloxy)-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one	C22H22O10	446.12129	160089-52-1	knapsack	NA	NA
+FL3FEAGS0046	Hispidulin 7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C22H22O10	446.12129	169307-34-0	knapsack	NA	NA
+FL3FF9GS0003	Wogonin 5-glucoside	C22H22O10	446.12129	80366-14-9	knapsack	NA	NA
+FL3FF9GS0004	Wogonin 7-glucoside	C22H22O10	446.12129	-	knapsack	NA	NA
+FL5F2AGS0001	3,6,7-Trihydroxy-4'-methoxyflavone 7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,6-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O10	446.12129	165747-37-5	knapsack	NA	NA
+FL5FA9GS0004	Galangin 3-methyl ether 7-glucoside	C22H22O10	446.12129	-	knapsack	NA	NA
+FL5FABGS0002	Kaempferide 3-rhamnoside;Kaempferol 4'-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O10	446.12129	148435-12-5	knapsack	NA	NA
+FL5FCAGS0002	Rhamnocitrin 3-rhamnoside	C22H22O10	446.12129	57525-01-6	knapsack	NA	NA
+FL5FDAGS0002	Isokaempferide 7-rhamnoside	C22H22O10	446.12129	94617-15-9	knapsack	NA	NA
+FL5FFLNS0007	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate	C22H22O10	446.12129	83159-17-5	knapsack	NA	NA
+FLIA1CCS0002	Pueraria glycoside 3	C22H22O10	446.12129	117047-07-1	knapsack	NA	NA
+FLIA1CGS0003	Calycosin 7-O-glucoside	C22H22O10	446.12129	20633-67-4	knapsack	NA	NA
+FLIA1CGS0006	Calycosin 7-O-galactoside	C22H22O10	446.12129	114272-30-9	knapsack	NA	NA
+FLIA2AGS0002	Texasin 7-O-glucoside	C22H22O10	446.12129	20314-21-0	knapsack	NA	NA
+FLIA2AGS0003	Glycitein 7-O-glucoside;Glycitin	C22H22O10	446.12129	40246-10-4	knapsack	NA	NA
+FLIA3AGS0004	Retusin 7-O-glucoside	C22H22O10	446.12129	88607-81-2	knapsack	NA	NA
+FLIAABGS0001	Biochanin A 7-O-glucoside;Astroside;Sissotrin	C22H22O10	446.12129	5928-26-7	knapsack	NA	NA
+FLIABAGS0001	5-O-Methylgenistein 7-O-glucoside	C22H22O10	446.12129	128856-77-9	knapsack	NA	NA
+FLIACACS0001	Prunetin 8-C-glucoside	C22H22O10	446.12129	52448-12-1	knapsack	NA	NA
+FLIACAGS0001	Prunetin 4'-O-glucoside;Prunetrin;Prunitrin;Prunitroside;Trifoside	C22H22O10	446.12129	154-36-9	knapsack	NA	NA
+FLIACAGS0002	Prunetin 5-O-glucoside;Prunetinoside	C22H22O10	446.12129	89595-66-4	knapsack	NA	NA
+FLIACAGS0003	Prunetin 4'-O-galactoside	C22H22O10	446.12129	117007-27-9	knapsack	NA	NA
+FLID1CGS0001	(+)-Maackiain 3-O-glucoside;Sophojaponicin	C22H22O10	446.12129	30142-39-3	knapsack	NA	NA
+FLID1CGS0002	(-)-Maackiain 3-O-glucoside;Trifolirhizin;Sophojaponicin B1	C22H22O10	446.12129	6807-83-6	knapsack	NA	NA
+FLID1CGS0003	Maackiain 3-O-galactoside	C22H22O10	446.12129	114761-94-3	knapsack	NA	NA
+FLNACAGS0001	5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside	C22H22O10	446.12129	129369-35-3	knapsack	NA	NA
+MJ064716	1,2,8-Trihydroxy-3-methylanthraquinone; 1-Me ether, 2-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064717	1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 5-Me ether, 8-O-?-L-rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064718	1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 8-Me ether, 3-O-?-L-rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064719	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064720	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-?-D-galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064721	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064722	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064723	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 1'-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064724	1,8-Dihydroxy-3-hydroxymethyl-10-lyxosyl-9(10H)-anthracenone; 1'-Ac 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064725	2',3,3',4',5,7,8-Heptahydroxyflavone; 2',3,3',4',7-Penta-Me ether, 8-Ac 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064726	2',4',6-Trihydroxyisoflavone; 2'-Me ether, 6-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064727	2',5,7-Trihydroxyflavone; 7-Me ether, 2'-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064728	2',5,7-Trihydroxyflavone; 7-Me ether, 5-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064729	3',4',5,7-Tetrahydroxy-3-methylflavone; 5-O-?-L-Rhamnoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064730	3',4',5-Trihydroxy-7-methoxyflavone; 4'-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064731	3',4',7-Trihydroxyflavone; 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064732	3',4',7-Trihydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064733	3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064734	3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064735	3',5',7-Trihydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064736	3',5,7-Trihydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064737	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',5,5',8-Hexa-Me, 6,7-methylene ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064738	3,4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-?-D-galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064739	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064740	3,4',6,7-Tetrahydroxyflavone; 4'-Me ether, 7-O-?-L-rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064741	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064742	3,5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064743	3,5,7-Trihydroxyflavone; 3-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064744	3-Glucopyranosyl-4',5,7-trihydroxyflavone; 4'-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064745	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064746	4',5,7-Trihydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064747	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064748	4',5-Dihydroxy-7-methoxyflavone; 4'-O-?-D-Galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064749	4',5-Dihydroxy-7-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064750	4',5-Dihydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064751	4',5-Dihydroxy-7-methoxyisoflavone; 4'-O-?-D-Galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064752	4',5-Dihydroxy-7-methoxyisoflavone; 4'-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064753	4',5-Dihydroxy-7-methoxyisoflavone; 5-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064754	4',6,7-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064755	4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064756	4',7,8-Trihydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064757	4',7-Dihydroxy-5-methoxyisoflavone; 4'-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064758	4',7-Dihydroxy-5-methoxyisoflavone; 7-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064759	5,6,7-Trihydroxyflavone; 5-Me ether, 7-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064760	5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-?-D-glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064761	5,7-Dihydroxy-4'-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064762	5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064763	5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064764	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064765	5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064766	5,7-Dihydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064767	5,7-Dihydroxy-8-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064768	5,7-Dihydroxy-8-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064769	5-Hydroxy-3,3',6,7,8-pentamethoxy-4',5'-methylenedioxyflavone; 5-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064770	7-Glucosyl-4',5,8-trihydroxyflavone; 4'-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064771	8-Glucopyranosyl-3',4',7-trihydroxyisoflavone; 3'-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064772	8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 7-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064773	Granatomycin D 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064774	Griseusin B 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064775	Isocytisoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064776	Maackiain, O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064777	Maackiain, O-?-D-Galactopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064778	Maackiain, O-?-D-Glucopyranoside 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064779	Swertisin 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064780	Thomasic acid, 9'-Carboxylic acid 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064781	Vitexin; 4'-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064782	Vitexin; 7-Me ether 	C22H22O10	446.121296	NA	MeJP	NA	NA
+MJ064783	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside 	C22H23O10(+)	446.121296	NA	MeJP	NA	NA
+MJ064784	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside 	C22H23O10(+)	446.121296	NA	MeJP	NA	NA
+MetaCyc03585	(-)-maackiain-3-O-glucoside [trifolirhizin;]	C22H22O10	446.121297	NA	metacyc	NA	NA
+MetaCyc03586	biochanin A-7-O-glucoside []	C22H22O10	446.121297	NA	metacyc	NA	NA
+MetaCyc03587	biochanin A 7-O-&beta;-D-glucoside []	C22H22O10	446.121297	NA	metacyc	NA	NA
+C05376	Biochanin A-beta-D-glucoside	C22H22O10	446.1213	NA	KEGG	NA	NA
+C10381	Obtusifolin 2-glucoside	C22H22O10	446.1213	NA	KEGG	NA	NA
+C10384	Physcion 8-glucoside	C22H22O10	446.1213	NA	KEGG	NA	NA
+C10538	Trifolirhizin	C22H22O10	446.1213	NA	KEGG	NA	NA
+C16195	Glycitin	C22H22O10	446.1213	NA	KEGG	NA	NA
+HMDB02219	Glycitin	C22H22O10	446.121307	NA	HMDB2010	NA	NA
+HMDB02219	Glycitin	C22H22O10	446.12131	http://www.hmdb.ca/metabolites/HMDB02219	HMDB	NA	NA
+HMDB02219	Glycitin	C22H22O10	446.12131	HMDB02219	PFEM_hmdb_metabocards_official	NA	NA
+MJ064785	Febantel 	C20H22N4O6S	446.126005	NA	MeJP	NA	NA
+MJ064786	Fostriecin; 5-Hydroxy 	C19H27O10P	446.134183	NA	MeJP	NA	NA
+FL1DA9NC0013	Longicaudatin	C26H22O7	446.13655	342882-02-4	knapsack	NA	NA
+MJ064787	Longicaudatin 	C26H22O7	446.136553	NA	MeJP	NA	NA
+MJ064788	Rocaglatic acid; Decarboxy, 4'-demethoxy, 3',4'-methylenedioxy, 1-ketone 	C26H22O7	446.136553	NA	MeJP	NA	NA
+PJ001590	GCMH 	C16H26N6O5S2	446.1406	NA	PeJP	NA	NA
+MJ064789	2',4'-Dihydroxyacetophenone; 4'-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064790	2,4-Dihydroxybenzaldehyde; 4-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064791	2-Hydroxybenzaldehyde; O-[?-D-Allopyranosyl-(1?6)-?-D-allopyranoside] 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064792	2-Hydroxybenzoic acid; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], Me ester 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064793	6-O-(3,4-Dihydroxycinnamoyl)glucose; ?-D-Pyranose-form, 2,3,4-Trihydroxybutyl glycoside 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064794	6-O-?-L-Rhamnopyranosyl-D-glucose; ?-Pyranose-form, 1-O-(4-Hydroxybenzoyl) 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064795	Asperuloside; 3?,4?-Dihydro, 3-methoxy 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064796	Erythritol; 1-O-[6-O-(3,4-Dihydroxycinnamoyl)-?-D-glucopyranoside] 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064797	Majoroside; 10-Acetoxy 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064798	Mandelic acid, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064799	Methyl 2-hydroxybenzoate; O-Primeveroside 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064800	Monotropein; 10-Ac, Me ester 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064801	Sucrose; 1'-O-Benzoyl 	C19H26O12	446.142426	NA	MeJP	NA	NA
+MJ064802	3,4-Dichloro-N-methyl-N-[1,2,3,4-tetrahydro-5-methoxy-2-(1-pyrrolidinyl)-1-naphthalenyl]benzeneacetamide 	C24H28Cl2N2O2	446.152783	NA	MeJP	NA	NA
+FL2FF9GS0004	5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside	C23H26O9	446.15768	286476-45-7	knapsack	NA	NA
+MJ064803	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064804	3,6:7,8-Diepoxy-13-hydroxy-18-oxo-3,5,11,15-cembratetraen-20,10-olide, 18-Carboxylic acid, 11?,12?-epoxide, 13-Ac, Me ester 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064805	4',5,7-Trihydroxyflavanone, 4',7-Di-Me ether, 5-O-?-L-rhamnopyranoside 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064806	4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-(6-O-Cinnamoyl-?-D-glucopyranoside)(E-) 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064807	5,7-Dihydroxy-6,8-dimethylflavanone, 7-O-?-D-Glucopyranoside 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064808	Alnumycin; 7-Methoxy 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064809	Isobrachycalyxolide 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064810	Pneumatopterin C 	C23H26O9	446.157682	NA	MeJP	NA	NA
+MJ064811	Podorhizol, 5'-Methoxy 	C23H26O9	446.157682	NA	MeJP	NA	NA
+PJ001591	STCH 	C16H26N6O7S	446.1584	NA	PeJP	NA	NA
+MJ064812	Ersentilide 	C21H26N4O5S	446.16239	NA	MeJP	NA	NA
+PJ001592	SPDE 	C17H26N4O10	446.1649	NA	PeJP	NA	NA
+PJ001593	PPCM 	C18H30N4O5S2	446.1658	NA	PeJP	NA	NA
+CJneg0604	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C2)	C1813C2H27O11	446.170425	C18rt(min)=8.68 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0604	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M-H)]- (13C2)	C1813C2H27O11	446.170425	C18rt(min)=8.68 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ064813	Achlisocoumarin IV 	C27H26O6	446.172938	NA	MeJP	NA	NA
+PJ001594	GNQE 	C16H26N6O9	446.1761	NA	PeJP	NA	NA
+PJ001595	GGGQE 	C16H26N6O9	446.1762	NA	PeJP	NA	NA
+MJ064814	-Hydroxybenzyl alcohol; 4-Me ether, ?-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064815	1-(4-Hydroxyphenyl)ethanol, 4'-O-Rutinoside 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064816	1-Phenyl-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?6)-glucoside] 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064817	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064818	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064819	2-Phenylethanol; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064820	Hedyoside 	C20H30O11	446.178811	NA	MeJP	NA	NA
+MJ064821	Thioproperazine 	C22H30N4O2S2	446.181017	NA	MeJP	NA	NA
+PJ001596	APEM 	C18H30N4O7S	446.1835	NA	PeJP	NA	NA
+MJ064822	Camptothecin, O-Hexanoyl 	C26H26N2O5	446.184171	NA	MeJP	NA	NA
+MJ064823	Naphthomevalin 	C25H31ClO5	446.186001	NA	MeJP	NA	NA
+PJ001597	NQW 	C20H26N6O6	446.1914	NA	PeJP	NA	NA
+HMDB04483	Estrone glucuronide	C24H30O8	446.19406	http://www.hmdb.ca/metabolites/HMDB04483	HMDB	NA	NA
+HMDB04483	Estrone glucuronide	C24H30O8	446.19406	HMDB04483	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04483	Estrone glucuronide	C24H30O8	446.194061	NA	HMDB2010	NA	NA
+MJ064824	1,12:4,18:15,16-Triepoxy-6,7-dihydroxy-13(16),14-clerodadien-3-one, Di-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064825	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-Tigloyl, 1,3-di-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064826	11,12,14-Trihydroxy-8,11,13-abietatriene-6,7-dione; enol-form, 16-Acetoxy, 11-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064827	3,3',4,4',5,7',9-Heptahydroxy-7,9'-epoxylignan, 7'-Ketone, hexa-Me ether 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064828	4,18-Epoxy-6,19-dihydroxy-1-oxo-2,13-clerodadien-15,16-olide, Di-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064829	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-6,19,20-triol, 6-Ketone, 19,20-di-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064830	4,18:15,16-Diepoxy-6,19-dihydroxy-13(16),14-clerodadien-20,12-olide, Di-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064831	5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-?-D-Xylopyranoside 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064832	7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(2-hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064833	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9-angeloyl 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064834	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2-Me ether, 1'-O-?-D-glucopyranoside 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064835	Aemulin BB 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064836	Aurovertin B; 1''-Demethyl 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064837	Barbatusin 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064838	Caesalpinin 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064839	Coleon O; 19-Acetoxy 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064840	Desaspidins; Desaspidin BB 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064841	Dunnianin; 3-Deacyl, 3-Ac, 7-benzoyl 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064842	Epiphorellic acid 3 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064843	Orthodesaspidin 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064844	Peperomin C 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064845	Phloraspidinol 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064846	Plectranthone L 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064847	Ramalinolic acid; 2-Me ether 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064848	Ramalinolic acid; 4'-Me ether 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064849	Ramalinolic acid; O-De-Me, 2,4'-di-Me ether 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064850	Saroaspidin A 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064851	Secoisolariciresinol, 9,9'-Di-Ac 	C24H30O8	446.194067	NA	MeJP	NA	NA
+MJ064852	Yangambin 	C24H30O8	446.194067	NA	MeJP	NA	NA
+C10894	Yangambin	C24H30O8	446.1941	NA	KEGG	NA	NA
+C11133	Estrone glucuronide	C24H30O8	446.1941	NA	KEGG	NA	NA
+MJ064853	3-[1,1'-Biphenyl]-4-yl-N-[N-(hydroxypropylphosphinyl)valyl]alanine 	C23H31N2O5P	446.197058	NA	MeJP	NA	NA
+PJ001598	GLEE 	C18H30N4O9	446.2013	NA	PeJP	NA	NA
+PJ001599	GPHH 	C19H26N8O5	446.2026	NA	PeJP	NA	NA
+8007	synthetic peptide	LWE	446.205	antibacterial	Inhouse_peptide	NA	peptide
+8228	ACE inhibitor	IEW	446.205	NA  ;SYN:(2S)-2-Aminopropanoate; (2S)-2-Aminopropanoic acid; (S)-(+)-Alanine; (S)-2-Aminopropanoate; (S)-2-Aminopropanoic acid; (S)-2-amino-Propanoate; (S)-2-amino-Propanoic acid; (S)-Alanine; 2-Aminopropanoate; 2-Aminopropanoic acid; 2-Aminopropionate; 2-Aminopropionic acid; 2-Ammoniopropanoate; Ala; Alanine; L-(+)-Alanine; L-2-Aminopropanoate; L-2-Aminopropanoic acid; L-2-Aminopropionate; L-2-Aminopropionic acid; L-a-Alanine; L-a-Aminopropionate; L-a-Aminopropionic acid; a-Alanine; a-Aminopropionate; a-Aminopropionic acid; alpha-Aminopropanoate; alpha-Aminopropanoic acid; L-alpha-Alanine; L-alpha-Aminopropionate; L-alpha-Aminopropionic acid; alpha-Alanine; alpha-Aminopropionate; alpha-Aminopropionic acid; 2-Ammoniopropanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ064854	Gardneramine oxindole; 16-Hydroxy 	C23H30N2O7	446.205301	NA	MeJP	NA	NA
+MJ064855	Antibiotic FR 111142; 4,7-Deepoxy, 4-chloro, 7-hydroxy 	C22H35ClO7	446.207131	NA	MeJP	NA	NA
+MJ064856	Apetalinone B 	C28H30O5	446.209324	NA	MeJP	NA	NA
+MJ064857	Batukinaxanthone 	C28H30O5	446.209324	NA	MeJP	NA	NA
+MJ064858	Dombakinaxanthone 	C28H30O5	446.209324	NA	MeJP	NA	NA
+PJ001600	GNKE 	C17H30N6O8	446.2125	NA	PeJP	NA	NA
+MJ064859	2-Pinen-10-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H34O10	446.215197	NA	MeJP	NA	NA
+MJ064860	Ebuloside; 7?-Alcohol 	C21H34O10	446.215197	NA	MeJP	NA	NA
+MJ064861	Penstemide; 7,8?-Dihydro 	C21H34O10	446.215197	NA	MeJP	NA	NA
+MJ064862	Valerosidatum; 7-Deoxy, 8-epimer 	C21H34O10	446.215197	NA	MeJP	NA	NA
+PJ001601	LEW 	C22H30N4O6	446.2166	NA	PeJP	NA	NA
+PJ001602	SPLM 	C19H34N4O6S	446.2199	NA	PeJP	NA	NA
+PJ001603	GSQR 	C16H30N8O7	446.2238	NA	PeJP	NA	NA
+PJ001604	NKW 	C21H30N6O5	446.2278	NA	PeJP	NA	NA
+MJ064863	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 3-(2-Methylbutanoyl), 8-angeloyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064864	1,10:4,5-Diepoxy-3,6,8-trihydroxy-11-germacren-9-one, 8-Deoxy, diangeloyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064865	12,13-Dihydroxy-18-oxo-5,8,10,14,16-eicosapentaenoic acid, Di-Ac, Me ester 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064866	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 9-(2-methylbutanoyl), 14-(3-methylbutanoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064867	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 12-Ketone, 9-(3-methylbutanoyl), 14-(2-methylbutanoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064868	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 9-(3-Methyl-2-butenoyl), 14-(2-methylbutanoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064869	15,16-Epoxy-3,13(16),14-clerodatriene-18,19-diol; ent-form, 18-Malonyl, 19-Ac 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064870	17,18-Epoxy-11,18-dihydroxy-1(19),6,10(17),13-xenicatetraen-15-oic acid; Di-Ac, Me ester 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064871	2,4,9-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Diangeloyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064872	2,7,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 14-Ac 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064873	3,4-Epoxy-2,8-dihydroxy-10-guaien-12,6-olide, 8-Angeloyl, 2-(2-methylbutanoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064874	3,4:10,11-Diepoxy-1,8-dihydroxy-7(14)-bisabolen-2-one, Diangeloyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064875	3,4:15,16-Diepoxy-6,10-dihydroxy-13(16),14-clerodadien-20,12-olide, 6-(2-Methylbutanoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064876	3,6-Dihydroxy-10-oxo-11-kempen-20-oic acid, Di-Ac, Me ester 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064877	3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(2-methylpropanoyl), Me ester 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064878	4,6-Dihydroxy-8-daucen-10-one, 6-(3,4,5-Trimethoxybenzoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064879	6,7-Dihydroxy-17-vouacapanoic acid, 6,7-Di-Ac, Me ester 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064880	7,8-Epoxy-2-hydroxy-9,12-dioxo-5,13-briaradien-18-oic acid; 2-Butanoyl, Me ester 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064881	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8,11-Diangeloyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064882	8-Daucene-2,4,6,10-tetrol, 6-(4-Methoxybenzoyl), 2-Ac 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064883	9,10-Epoxy-p-mentha-1,3,5-triene-3,7,8-triol; 3-Angeloyl, 7,8-bis-(2-methylbutanoyl) 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064884	Atranone A; 13-Methoxy 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064885	Clavulones 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064886	Eupodienone 2; 9-Et ether 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064887	Glycinoeclepin A 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064888	Macrophorin A; 4'-O-Malonyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064889	Macrophorin A; 7'-O-Malonyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064890	Macrophorin A; Deepoxy, 6'?-hydroxy, 4'-ketone, 7'-O-malonyl 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064891	Macrophorin F 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064892	Marinosin 	C25H34O7	446.230453	NA	MeJP	NA	NA
+MJ064893	Pyrrhopappolide; 6?-Angeloyloxy, 10?-alcohol 	C25H34O7	446.230453	NA	MeJP	NA	NA
+C09468	Gradolide	C25H34O7	446.2305	NA	KEGG	NA	NA
+C13810	Clavulone I	C25H34O7	446.2305	NA	KEGG	NA	NA
+C13811	Transferred to D02145	C25H34O7	446.2305	NA	KEGG	NA	NA
+C13812	Clavulone II	C25H34O7	446.2305	NA	KEGG	NA	NA
+C13813	Clavulone III	C25H34O7	446.2305	NA	KEGG	NA	NA
+C13814	Clavulone IV	C25H34O7	446.2305	NA	KEGG	NA	NA
+PJ001605	SVLE 	C19H34N4O8	446.2377	NA	PeJP	NA	NA
+MJ064894	Arthogalin 	C24H34N2O6	446.241686	NA	MeJP	NA	NA
+C11602	MC-207,110	C25H30N6O2	446.243	NA	KEGG	NA	NA
+MJ064895	15-Hydroxy-9(11),16-kauradien-19-oic acid, O-Cinnamoyl 	C29H34O4	446.245709	NA	MeJP	NA	NA
+MJ064896	Artocarpol E 	C29H34O4	446.245709	NA	MeJP	NA	NA
+MJ064897	Mulberrofuran D 	C29H34O4	446.245709	NA	MeJP	NA	NA
+MJ064898	Mulberrofuran W 	C29H34O4	446.245709	NA	MeJP	NA	NA
+MJ064899	Fluocortin; Butyl ester 	C26H35FO5	446.246852	NA	MeJP	NA	NA
+MJ064900	Usambarensine; Nb-Me 	C30H31N4(+)	446.247047	NA	MeJP	NA	NA
+PJ001606	GDKK 	C18H34N6O7	446.2489	NA	PeJP	NA	NA
+PJ001607	APLF 	C23H34N4O5	446.2529	NA	PeJP	NA	NA
+PJ001608	ALLM 	C20H38N4O5S	446.2563	NA	PeJP	NA	NA
+PJ001609	GSKR 	C17H34N8O6	446.2602	NA	PeJP	NA	NA
+MJ064901	1(15),8(19)-Trinervitadiene-2,3,14-triol, Tri-Ac 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064902	1-Acetoxy-7-acetoxymethyl-3-acetoxymethylene-11,15-dimethyl-1,6,10,14-hexadecatetraene 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064903	11,12-Epoxy-7-drimene-2,3,11-triol, 2-Angeloyl, 3-(2-methyl-2-pentenoyl) 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064904	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Pentanoyl 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064905	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(4-angeloyloxy-2Z-hexenoyl) 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064906	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(5-angeloyloxy-2Z-hexenoyl) 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064907	16-Kaurene-3,7,18-triol, Tri-Ac 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064908	3,14,16-Trihydroxycard-20(22)-enolide, 16-Propanoyl 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064909	3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(4-Angeloyloxy-2Z-hexenoyl) 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064910	3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(5-Angeloyloxy-2Z-hexenoyl) 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064911	7,15-Isopimaradiene-3,19-diol, 19-O-(4-Deoxy-?-D-threo-hex-4-enodialdopyranoside) 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064912	8(14),15-Isopimaradiene-1,7,11-triol, Tri-Ac 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064913	8,10,12,14-Epiamphilectatetraene-9,10-diol, 10-O-?-L-Fucopyranoside 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064914	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-?-L-Fucopyranoside 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064915	9,11,15-Trihydroxy-16-kauren-19-oic acid, 15-Angeloyl, Me ester 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064916	Antibiotic CJ 13103 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064917	Decinnamoyljolkinol B; 3-(2-Methylpropanoyl), 15-Ac 	C26H38O6	446.266838	NA	MeJP	NA	NA
+MJ064918	Tyromycin A 	C26H38O6	446.266838	NA	MeJP	NA	NA
+PJ001610	TTLL 	C20H38N4O7	446.2741	NA	PeJP	NA	NA
+MJ064919	Myriopterosin 	C30H38O3	446.282095	NA	MeJP	NA	NA
+MJ064920	Mutamicin 5 	C19H38N6O6	446.285282	NA	MeJP	NA	NA
+PJ001611	ATKK 	C19H38N6O6	446.2853	NA	PeJP	NA	NA
+C16497	3-Dehydro-2-deoxyecdysone	C27H42O5	446.3032	NA	KEGG	NA	NA
+MJ064921	1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064922	11-Eremophilene-3,8,9-triol, 3,9-Di-2Z-hexenoyl 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064923	14,22,25-Trihydroxycholest-7-ene-3,6-dione 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064924	16,24:20,24-Diepoxycholest-5-ene-3,22,25-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064925	2,3,20,22-Tetrahydroxycholesta-4,7-dien-6-one 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064926	2,3-Dihydroxyspirostan-12-one 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064927	2,5-Epoxyspirostane-3,6-diol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064928	22,25-Epoxyfurost-5-ene-1,3,26-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064929	22,25-Epoxyfurostane-2,3,6,26-tetrol, 6-Deoxy, 5,6-didehydro 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064930	24,25-Epoxy-16-scalarene-12,19,25-triol, 12-Ac 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064931	24,25-Epoxy-16-scalarene-12,21,25-triol, 21-Ac 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064932	24,25-Epoxy-16-scalarene-3,12,25-triol, 12-Ac 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064933	3,23,25-Trihydroxy-9,10-secocholesta-5,7,10(19)-trien-26-oic acid 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064934	3,27-Dihydroxyspirostan-6-one 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064935	3,6-Dihydroxyspirostan-12-one 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064936	3,6-Dihydroxyspirostan-2-one 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064937	Allochionographolone 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064938	Chiograsterone; 5-Epimer, 11?-hydroxy 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064939	Cholest-8-ene-3,5,6,7,11-pentol, 7,11-Diketone 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064940	Daldinin A; Daldinin A1, 3,4-Dihydro 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064941	Isoallochionographolone 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064942	Isochionographolone 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064943	Juruenolide G 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064944	Leontogenin 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064945	Neomanoalide, 2,3-Dihydro, 24-Ac 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064946	Spirost-25(27)-ene-2,3,6-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064947	Spirost-4-ene-2,3,11-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064948	Spirost-5-ene-1,3,24-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064949	Spirost-5-ene-1,3,25-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064950	Spirost-5-ene-1,3,27-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064951	Spirost-5-ene-2,3,24-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064952	Spirost-5-ene-3,12,15-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064953	Spirost-5-ene-3,14,17-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064954	Spirost-5-ene-3,14,27-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064955	Spirost-5-ene-3,15,21-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064956	Spirost-5-ene-3,15,23-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064957	Spirost-5-ene-3,16,17-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064958	Spirost-5-ene-3,17,24-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064959	Spirost-5-ene-3,25,27-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064960	Spirost-7-ene-2,3,5-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064961	Spirost-8(14)-ene-2,3,5-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064962	Spirost-9(11)-ene-2,3,5-triol 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064963	Suberitenone B 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064964	Taccagenin 	C27H42O5	446.303224	NA	MeJP	NA	NA
+MJ064965	Carpipramine 	C28H38N4O	446.304561	NA	MeJP	NA	NA
+MJ064966	8'-Apo-?-caroten-8'-al; 8'-Carboxylic acid, Me ester 	C31H42O2	446.31848	NA	MeJP	NA	NA
+MJ064967	Sintaxanthin; 3?-Hydroxy 	C31H42O2	446.31848	NA	MeJP	NA	NA
+MJ064968	CNS 2103 	C24H42N6O2	446.336924	NA	MeJP	NA	NA
+MJ064969	CNS 2104 	C24H42N6O2	446.336924	NA	MeJP	NA	NA
+C14158	Stylisterol B	C28H46O4	446.3396	NA	KEGG	NA	NA
+C14505	Di-n-decyl phthalate	C28H46O4	446.3396	NA	KEGG	NA	NA
+C14578	Diisodecyl phthalate	C28H46O4	446.3396	NA	KEGG	NA	NA
+C15792	3-Dehydroteasterone	C28H46O4	446.3396	NA	KEGG	NA	NA
+MJ064970	11,12-Epoxyergost-24(28)-ene-1,3,6-triol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064971	12,16-Dihydroxy-20,24-dimethyl-25-nor-24-scalaranone, 12-Ac 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064972	2,3-Epoxy-22,23-dihydroxyergostan-6-one 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064973	22,23-Epoxyergost-9(11)-ene-3,6,20-triol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064974	22,28-Epoxyergost-5-ene-3,25,28-triol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064975	3,22,23-Trihydroxyergostan-6-one, 3-Ketone 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064976	3,5,6-Trihydroxyergost-22-en-7-one. 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064977	3,6,20-Trihydroxyergost-9(11)-en-23-one 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064978	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Octadecyl ester 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064979	4-(3,4-Dihydroxyphenyl)-3-buten-1-ol, 1-Hexadecanoyl 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064980	9,10-Secocholesta-5,7,10(19)-triene-1,3,22,25-tetrol, 22-Me ether 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064981	Ergost-24(28)-ene-1,3,5,6-tetrol, 6-Ketone 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064982	Ergost-5-ene-3,22,25,28-tetrol, 28-Aldehyde 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064983	Ergosta-5,24(28)-diene-1,3,11,18-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064984	Ergosta-5,24(28)-diene-2,3,15,18-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064985	Ergosta-5,24(28)-diene-2,3,4,7-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064986	Ergosta-5,24(28)-diene-3,4,7,20-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064987	Ergosta-5,24(28)-diene-3,7,9,19-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064988	Ergosta-7,22-diene-3,5,6,9-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064989	Ergosta-7,24(28)-diene-3,5,6,9-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064990	Ergosta-8(14),22-diene-3,6,15,26-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MJ064991	Ergosta-8,22-diene-3,5,6,7-tetrol 	C28H46O4	446.339609	NA	MeJP	NA	NA
+MetaCyc03588	3-dehydroteasterone [dehydroteasterone;]	C28H46O4	446.33961	NA	metacyc	NA	NA
+MJ064992	1-Nonadecene-4,6,8,10,12,14-hexol, Hexa-Me ether 	C25H50O6	446.360739	NA	MeJP	NA	NA
+MJ064993	3,5-Dihydroxystigmastan-6-one 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ064994	3-Hydroxy-25,26,27-trinorcycloartan-24-al, Di-Me acetal 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ064995	3-Hydroxy-8,14-secoergostane-8,14-dione, Me ether 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ064996	9-Hydroxy-?-tocopherone 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ064997	?-Tocopherolhydroquinone; 1,4-Quinone 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ064998	Aragusterol G 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ064999	Capiquinones; Capiquinone F 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065000	Ergost-5-ene-3,7,22-triol, 7-Me ether 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065001	Mavioquinone 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065002	Numersterol B 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065003	Stigmast-25-ene-3,5,7-triol 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065004	Stigmast-5-ene-3,7,20-triol 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065005	Stigmast-5-ene-3,7,22-triol 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065006	Stigmast-5-ene-3,7-diol, 7-Hydroperoxide 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065007	Stigmast-6-ene-3,5-diol, 5-Hydroperoxide 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065008	Stigmast-7-ene-3,5,6-triol 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065009	Stigmasta-5,22-diene-3,7,16-triol, 22,23-Dihydro 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065010	?-Tocopherolhydroquinone; 1,4-Quinone 	C29H50O3	446.375995	NA	MeJP	NA	NA
+MJ065011	Cyclomicrophylline I; 6,7-Dihydro, N-tetra-Me 	C28H50N2O2	446.387228	NA	MeJP	NA	NA
+MJ065012	20,32-Cyclobishomo-20,22,31-hopatriene, 32-Methyl 	C33H50	446.391251	NA	MeJP	NA	NA
+MJ065013	15,18,21,24,27-Triacontapentaenoic acid, 15,16,27,28-Tetrahydro 	C30H54O2	446.41238	NA	MeJP	NA	NA
+MJ065014	5,9,21-Triacontatrienoic acid 	C30H54O2	446.41238	NA	MeJP	NA	NA
+MJ065015	5,9,23-Triacontatrienoic acid 	C30H54O2	446.41238	NA	MeJP	NA	NA
+MJ065016	5-Tricosyl-1,3-benzenediol; 3-Me ether 	C30H54O2	446.41238	NA	MeJP	NA	NA
+MJ065017	5.9.25-Triacontatrienoic acid 	C30H54O2	446.41238	NA	MeJP	NA	NA
+MJ065018	Dammarane-3,25-diol 	C30H54O2	446.41238	NA	MeJP	NA	NA
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR353	Flavine adenine dinucleotide F3	NA	446.498275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR353	Flavine adenine dinucleotide F3	NA	446.498275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR353	Flavine adenine dinucleotide F3	NA	446.498275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR353	Flavine adénine dinucléotide F3	F3	446.498275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR353	Flavine adenine dinucleotide F3	NA	446.498275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR353	Flavine adenine dinucleotide F3	F3	446.498275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ065019	Tribromsalan 	C13H8Br3NO2	446.810516	NA	MeJP	NA	NA
+MJ065020	3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid; Propyl ester 	C10H11I2NO3	446.88283	NA	MeJP	NA	NA
+C05691	Se-Adenosylselenomethionine	C15H23N6O5Se	447.0895	NA	KEGG	NA	NA
+HMDB11118	Se-Adenosylselenomethionine	C15H23N6O5Se	447.089508	NA	HMDB2010	NA	NA
+FL7DACGS0003	Luteolinidin 4'-glucuronide	C21H19O11	447.09273	97165-27-0	knapsack	NA	NA
+MJ065021	Corynoline, O-Sulfate 	C21H21NO8S	447.098787	NA	MeJP	NA	NA
+MJ065022	Ampiroxicam 	C20H21N3O7S	447.11002	NA	MeJP	NA	NA
+FL7AADGS0002	Peonidin 3-rhamnoside	C22H23O10	447.12912	72551-79-2	knapsack	NA	NA
+MJ065023	Dimetipirium(1+); Bromide 	C23H30BrNO3	447.140906	NA	MeJP	NA	NA
+PJ001612	PCND 	C16H25N5O8S	447.1424	NA	PeJP	NA	NA
+MJ065024	Hyperectine 	C24H21N3O6	447.143035	NA	MeJP	NA	NA
+PJ001613	CYY 	C21H25N3O6S	447.1464	NA	PeJP	NA	NA
+C12564	Aripiprazole	C23H27Cl2N3O2	447.148	NA	KEGG	NA	NA
+C12565	Transferred to D01165	C23H27Cl2N3O2	447.148	NA	KEGG	NA	NA
+C12566	Transferred to D01166	C23H27Cl2N3O2	447.148	NA	KEGG	NA	NA
+MJ065025	Aripiprazole 	C23H27Cl2N3O2	447.148032	NA	MeJP	NA	NA
+HMDB05042	Aripiprazole	C23H27Cl2N3O2	447.14804	http://www.hmdb.ca/metabolites/HMDB05042	HMDB	NA	NA
+HMDB05042	Aripiprazole	C23H27Cl2N3O2	447.14804	HMDB05042	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05042	Aripiprazole	C23H27Cl2N3O2	447.148041	NA	HMDB2010	NA	NA
+MJ065026	Pseurotins; Pseurotin B 	C22H25NO9	447.152931	NA	MeJP	NA	NA
+MJ065027	Pseurotins; Pseurotin C 	C22H25NO9	447.152931	NA	MeJP	NA	NA
+MJ065028	Azaftozine 	C23H24F3N3OS	447.159217	NA	MeJP	NA	NA
+PJ001614	GNEE 	C16H25N5O10	447.1602	NA	PeJP	NA	NA
+PJ001615	SNNN 	C15H25N7O9	447.1714	NA	PeJP	NA	NA
+MJ065029	Mycosporin 2; 9-O-?-D-Glucopyranoside 	C19H29NO11	447.17406	NA	MeJP	NA	NA
+PJ001616	NEW 	C20H25N5O7	447.1754	NA	PeJP	NA	NA
+PJ001617	SPNM 	C17H29N5O7S	447.1788	NA	PeJP	NA	NA
+MJ065030	2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-phenyl-3-isoquinolinecarboxylic acid 	C30H25NO3	447.183443	NA	MeJP	NA	NA
+MJ065031	Erysotrine, O15,O16-Di-de-Me, 15-O-?-D-glucopyranoside 	C23H29NO8	447.189316	NA	MeJP	NA	NA
+MJ065032	Erysotrine, O15,O16-Di-de-Me, 16-O-?-D-glucopyranoside 	C23H29NO8	447.189316	NA	MeJP	NA	NA
+MJ065033	Higenamine, N-Me, O7-?-D-glucopyranoside 	C23H29NO8	447.189316	NA	MeJP	NA	NA
+MJ065034	Dodeclonium(1+); Bromide 	C22H39BrClNO	447.190355	NA	MeJP	NA	NA
+MJ065035	Meleagrin; Me ether 	C24H25N5O4	447.190654	NA	MeJP	NA	NA
+MJ065036	Naamidine A; N3'-Me 	C24H25N5O4	447.190654	NA	MeJP	NA	NA
+MJ065037	Naamidine A; O11-Me 	C24H25N5O4	447.190654	NA	MeJP	NA	NA
+PJ001618	GWW 	C24H25N5O4	447.1907	NA	PeJP	NA	NA
+PJ001619	ATQE 	C17H29N5O9	447.1965	NA	PeJP	NA	NA
+PJ001620	GDKE 	C17H29N5O9	447.1966	NA	PeJP	NA	NA
+MJ065038	Kalihinol F; 10,16-Diisothiocyanate 	C23H33N3O2S2	447.201418	NA	MeJP	NA	NA
+8094	peptide derived from porcine collagen	LQGM	447.2034	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ065039	8-(4-Methyl-2-oxopentyl)dihydrochelerythrine 	C27H29NO5	447.204573	NA	MeJP	NA	NA
+MJ065040	Cardiopetamine 	C27H29NO5	447.204573	NA	MeJP	NA	NA
+MJ065041	Vietnamine 	C27H29NO5	447.204573	NA	MeJP	NA	NA
+PJ001621	GSER 	C16H29N7O8	447.2078	NA	PeJP	NA	NA
+MJ065042	3-[[[3-[4-(Aminoiminomethyl)phenyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-(butoxycarbonyl)alanine, Me ester 	C21H29N5O6	447.211783	NA	MeJP	NA	NA
+MJ065043	4-[[3-[4-[Imino[(methoxycarbonyl)amino]methyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]-1-piperazineacetic acid, Et ester 	C21H29N5O6	447.211783	NA	MeJP	NA	NA
+PJ001622	DKW 	C21H29N5O6	447.2118	NA	PeJP	NA	NA
+PJ001623	GLQM 	C18H33N5O6S	447.2152	NA	PeJP	NA	NA
+PJ001624	SRW 	C20H29N7O5	447.223	NA	PeJP	NA	NA
+MJ065044	Alkaloid GB11; 13?-Hydroxy 	C24H33NO7	447.225702	NA	MeJP	NA	NA
+PJ001625	AAMR 	C17H33N7O5S	447.2264	NA	PeJP	NA	NA
+PJ001626	ATKE 	C18H33N5O8	447.2329	NA	PeJP	NA	NA
+EUR810	Lyso PE 14:0 [M+Na]+	C19H40NO7P	447.236188	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR810	Lyso PE 14:0 [M+Na]+	C19H40NO7P	447.236188	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR810	Lyso PE 14:0 [M+Na]+	C19H40NO7P	447.236188	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR810	Lyso PE 14:0 [M+Na]+	C19H40NO7P	447.236188	masses lipides attendues	Inhousejuil11	NA	NA
+C11303	S-Decyl GSH	C20H37N3O6S	447.2403	NA	KEGG	NA	NA
+PJ001627	ATTR 	C17H33N7O7	447.2442	NA	PeJP	NA	NA
+PJ001628	GPKF 	C22H33N5O5	447.2482	NA	PeJP	NA	NA
+PJ001629	GLKM 	C19H37N5O5S	447.2516	NA	PeJP	NA	NA
+MJ065045	Antibiotic VM 55595 	C27H33N3O3	447.252191	NA	MeJP	NA	NA
+MJ065046	Celacinnine, N1-Ac 	C27H33N3O3	447.252191	NA	MeJP	NA	NA
+MJ065047	Dehydrobicoloridine 	C25H37NO6	447.262087	NA	MeJP	NA	NA
+MJ065048	Delpheline; 6-Ketone 	C25H37NO6	447.262087	NA	MeJP	NA	NA
+MJ065049	Erythrophleum Alkaloid A 	C25H37NO6	447.262087	NA	MeJP	NA	NA
+MJ065050	Sarcotragin A; N-De(2-phenylethyl), N-(carboxymethyl) 	C25H37NO6	447.262087	NA	MeJP	NA	NA
+MJ065051	Nilprazole 	C26H33N5O2	447.263425	NA	MeJP	NA	NA
+MJ065052	Antibiotic D 53 	C19H37N5O7	447.269298	NA	MeJP	NA	NA
+MJ065053	Pentisomicin 	C19H37N5O7	447.269298	NA	MeJP	NA	NA
+MJ065054	Sisomicin 	C19H37N5O7	447.269298	NA	MeJP	NA	NA
+C00494	Sisomicin	C19H37N5O7	447.2693	NA	KEGG	NA	NA
+PJ001630	STLK 	C19H37N5O7	447.2693	NA	PeJP	NA	NA
+MJ065055	Lilopristone 	C29H37NO3	447.277344	NA	MeJP	NA	NA
+MJ065056	Metachromin G 	C29H37NO3	447.277344	NA	MeJP	NA	NA
+MJ065057	Smenospongine; 5'-Epimer, N-(2-phenylethyl) 	C29H37NO3	447.277344	NA	MeJP	NA	NA
+MJ065058	Smenospongine; N-(2-Phenylethyl) 	C29H37NO3	447.277344	NA	MeJP	NA	NA
+MJ065059	Benzethonium(1+); Chloride 	C27H42ClNO2	447.290407	NA	MeJP	NA	NA
+MJ065060	3-Hydroxy-7-oxocholan-24-oic acid, Glycine amide 	C26H41NO5	447.298473	NA	MeJP	NA	NA
+MJ065061	Gentamicin C; Gentamicin C2b, 5-Deoxy 	C20H41N5O6	447.305684	NA	MeJP	NA	NA
+MJ065062	3,6,14-Cevanetriol, N-Oxide 	C27H45NO4	447.334858	NA	MeJP	NA	NA
+MJ065063	3-Aminopregnane-18,20-diol, N-Di-Me, O,O-di-Ac 	C27H45NO4	447.334858	NA	MeJP	NA	NA
+MJ065064	Cevane-3,6,20-triol, N-Oxide 	C27H45NO4	447.334858	NA	MeJP	NA	NA
+MJ065065	Solaphyllidine; O-De-Ac 	C27H45NO4	447.334858	NA	MeJP	NA	NA
+MJ065066	Methyl 3-alkylpyrrole-2-carboxylates; Methyl 3-tricosyl-1H-pyrrole-2-carboxylate 	C29H53NO2	447.407629	NA	MeJP	NA	NA
+MJ065067	Pentabromo-2-propanone 	C3HBr5O	447.594427	NA	MeJP	NA	NA
+MJ065068	Spiroxin D; 1-Ketone, 1'-alcohol, 7,7'-dichloro, 8'-hydroxy 	C20H10Cl2O8	447.975272	NA	MeJP	NA	NA
+MJ065069	Minalrestat 	C19H11BrF2N2O4	447.987025	NA	MeJP	NA	NA
+MJ065070	Tauroacidin A; 2-Debromo 	C13H17BrN6O5S	448.016451	NA	MeJP	NA	NA
+MJ065071	Rhopaladin A 	C21H13BrN4O3	448.017102	NA	MeJP	NA	NA
+MJ065072	4-Bromo-6-[3-(4-chlorophenyl)propoxy]-5-[(3-pyridinylmethyl)amino]-3(2H)-pyridazinone 	C19H18BrClN4O2	448.030166	NA	MeJP	NA	NA
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	HMDB	NA	NA
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	Inhouse_PFEM	NA	NA
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC022	UNKNOWN signif manip paracetamol	NA	448.0378	RT6.6	PFEM_hmdb_metabocards_official	NA	NA
+MJ065073	Galtifenin 	C16H21IN2O5	448.049515	NA	MeJP	NA	NA
+MJ065074	Suxamethonium(2+); Dibromide 	C14H30Br2N2O4	448.057232	NA	MeJP	NA	NA
+C05837	Glucobrassicin	C16H20N2O9S2	448.061	NA	KEGG	NA	NA
+MJ065075	Glucobrassicin 	C16H20N2O9S2	448.061021	NA	MeJP	NA	NA
+MJ065076	3-Indolylmethyl glucosinolate 	C16H20N2O9S2	448.061021	NA	MeJP	NA	NA
+MetaCyc03589	indolylmethyl-glucosinolate [3-indolymethyl-glucosinolate;glucobrassicin;]	C16H20N2O9S2	448.061022	NA	metacyc	NA	NA
+MJ065077	Ellagic acid; 2-O-?-L-Rhamnopyranoside 	C20H16O12	448.064175	NA	MeJP	NA	NA
+MJ065078	Ellagic acid; 3-Me ether, 7-O-?-D-xylopyranoside 	C20H16O12	448.064175	NA	MeJP	NA	NA
+MJ065079	Ellagic acid; 3-Me ether, 7-O-?-L-arabinofuranoside 	C20H16O12	448.064175	NA	MeJP	NA	NA
+MJ065080	2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione 	C24H16O9	448.079432	NA	MeJP	NA	NA
+MJ065081	Fasciculin A 	C24H16O9	448.079432	NA	MeJP	NA	NA
+MJ065082	Se-Adenosylselenomethionine 	C15H24N6O5Se	448.097339	NA	MeJP	NA	NA
+JH231	Luteolin-4-O-glucoside [M+H]+	C21H20O11	448.0975	14.55	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH231	Luteolin-4-O-glucoside [M+H]+	C21H20O11	448.0975	14.55	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH231	Luteolin-4-O-glucoside [M+H]+	C21H20O11	448.0975	14.55	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH231	Luteolin-4-O-glucoside [M+H]+	C21H20O11	448.0975	14.55	Inhousejuil11	NA	NA
+FL1A3CGS0001	Maritimein	C21H20O11	448.10056	490-54-0	knapsack	NA	NA
+FL1A3CGS0006	Maritimetin 7-glucoside	C21H20O11	448.10056	134955-54-7	knapsack	NA	NA
+FL1AACGS0001	Cernuoside	C21H20O11	448.10056	480-69-3	knapsack	NA	NA
+FL1AACGS0002	Aureusin	C21H20O11	448.10056	633-15-8	knapsack	NA	NA
+FL1CQUGS0001	Carthamone	C21H20O11	448.10056	86579-00-2	knapsack	NA	NA
+FL2FE9GS0001	Dihydrobaicalein 7-O-glucuronide	C21H20O11	448.10056	56226-98-3	knapsack	NA	NA
+FL2FF9GS0001	Dihydronorwogonin 7-O-glucuronide	C21H20O11	448.10056	60092-34-4	knapsack	NA	NA
+FL3F1GGS0002	7,3',4',5'-Tetrahydroxyflavone 7-glucoside;evolvuside B	C21H20O11	448.10056	98411-70-2	knapsack	NA	NA
+FL3FA8GS0006	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	185145-32-8	knapsack	NA	NA
+FL3FACCS0001	Isoorientin;Homoorientin;Lespecapitioside;Luteolin 6-C-beta-D-glucopyranoside;2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	4261-42-1	knapsack	NA	NA
+FL3FACCS0002	Orientin;8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone;Luteolin 8-C-beta-D-glucopyranoside;Lutexin;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	28608-75-5	knapsack	NA	NA
+FL3FACCS0005	6-C-Galactosylluteolin;2-(3,4-Dihydroxyphenyl)-6-beta-D-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	113349-18-1	knapsack	NA	NA
+FL3FACCS0041	8-C-Galactosylluteolin;2-(3,4-Dihydroxyphenyl)-8-beta-D-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	61950-88-7	knapsack	NA	NA
+FL3FACGS0002	Luteolin 5-glucoside	C21H20O11	448.10056	20344-46-1	knapsack	NA	NA
+FL3FACGS0003	Luteolin 5-galactoside	C21H20O11	448.10056	64662-18-6	knapsack	NA	NA
+FL3FACGS0007	Luteolin 7-glucoside	C21H20O11	448.10056	05/11/5373	knapsack	NA	NA
+FL3FACGS0008	Luteolin 7-galactoside	C21H20O11	448.10056	68321-11-9	knapsack	NA	NA
+FL3FACGS0014	Luteolin 3'-glucoside	C21H20O11	448.10056	5154-41-6	knapsack	NA	NA
+FL3FACGS0017	Luteolin 4'-glucoside	C21H20O11	448.10056	6920-38-3	knapsack	NA	NA
+FL3FEAGS0003	Scutellarein 6-glucoside	C21H20O11	448.10056	10289-41-5	knapsack	NA	NA
+FL3FEAGS0005	Scutellarein 7-glucoside	C21H20O11	448.10056	26046-94-6	knapsack	NA	NA
+FL3FECGS0004	6-Hydroxyluteolin 5-rhamnoside	C21H20O11	448.10056	-	knapsack	NA	NA
+FL3FECGS0009	6-Hydroxyluteolin 7-rhamnoside	C21H20O11	448.10056	107390-48-7	knapsack	NA	NA
+FL3FECGS0042	6-Hydroxyluteolin 6-rhamnoside;6-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	173615-24-2	knapsack	NA	NA
+FL3FFACS0001	6-C-Galactosylisoscutellarein;6-beta-D-Galactopyranosyl-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O11	448.10056	82014-23-1	knapsack	NA	NA
+FL3FFAGS0010	Isoscutellarein 7-glucoside	C21H20O11	448.10056	63317-86-2	knapsack	NA	NA
+FL3FFCGS0022	Hypolaetin 8-rhamnoside;8-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O11	448.10056	173615-23-1	knapsack	NA	NA
+FL5F1CCS0001	Fisetin 8-C-glucoside;8-C-Glucosylfisetin	C21H20O11	448.10056	108335-27-9	knapsack	NA	NA
+FL5F1CGL0001	Fisetin 3-glucoside	C21H20O11	448.10056	20633-87-8	knapsack	NA	NA
+FL5F1CGS0001	Fisetin 7-glucoside	C21H20O11	448.10056	-	knapsack	NA	NA
+FL5F1CGS0002	Fisetin 4'-glucoside	C21H20O11	448.10056	95399-27-2	knapsack	NA	NA
+FL5FA8GL0001	Datiscanin	C21H20O11	448.10056	83008-42-8	knapsack	NA	NA
+FL5FAACS0001	6-C-Glucopyranosylkaempferol;6-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O11	448.10056	28225-10-7	knapsack	NA	NA
+FL5FAACS0002	8-C-beta-D-Glucopyranosylkaempferol;8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;8-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O11	448.10056	562068-65-9	knapsack	NA	NA
+FL5FAAGA0001	Kaempferol 3-alpha-D-galactoside	C21H20O11	448.10056	107163-34-8	knapsack	NA	NA
+FL5FAAGA0002	Trifolin	C21H20O11	448.10056	23627-87-4	knapsack	NA	NA
+FL5FAAGL0001	Astragalin;Kaempferol 3-O-beta-D-glucoside;Kaempferol 3-glucoside	C21H20O11	448.10056	480-10-4	knapsack	NA	NA
+FL5FAAGL0002	Kaempferol 3-alpha-D-glucoside	C21H20O11	448.10056	31159-41-8	knapsack	NA	NA
+FL5FAAGS0004	Asiaticalin	C21H20O11	448.10056	69292-77-9	knapsack	NA	NA
+FL5FAAGS0008	Kaempferol 5-glucoside	C21H20O11	448.10056	34157-80-7	knapsack	NA	NA
+FL5FAAGS0012	Kaempferol 7-alloside	C21H20O11	448.10056	765949-92-6	knapsack	NA	NA
+FL5FAAGS0013	Kaempferol 7-galactoside	C21H20O11	448.10056	53585-54-9	knapsack	NA	NA
+FL5FAAGS0014	Populnin	C21H20O11	448.10056	16290-07-6	knapsack	NA	NA
+FL5FAAGS0017	Kaempferol 4'-glucoside	C21H20O11	448.10056	52222-74-9	knapsack	NA	NA
+FL5FACGM0001	8-C-Methylquercetin 3-xyloside	C21H20O11	448.10056	96910-74-6	knapsack	NA	NA
+FL5FACGS0006	Quercitrin;Quercetin 3-O-rhamnopyranoside	C21H20O11	448.10056	522-12-3	knapsack	NA	NA
+FL5FACGS0015	Quercetin 7-rhamnoside	C21H20O11	448.10056	22007-72-3	knapsack	NA	NA
+FL5FADGS0001	Isorhamnetin 3-alpha-L-arabinofuranoside	C21H20O11	448.10056	5041-66-7	knapsack	NA	NA
+FL5FADGS0002	Distichin	C21H20O11	448.10056	73465-82-4	knapsack	NA	NA
+FL5FADGS0003	Isorhamnetin 3-xyloside	C21H20O11	448.10056	-	knapsack	NA	NA
+FL5FCCGS0001	Rhamnetin 3-alpha-L-arabinofuranoside	C21H20O11	448.10056	29029-28-5	knapsack	NA	NA
+FL5FCCGS0002	Rhamnetin 3-alpha-L-arabinopyranoside	C21H20O11	448.10056	28638-12-2	knapsack	NA	NA
+FL5FDCGS0006	Quercetin 3-methyl ether 3'-xyloside	C21H20O11	448.10056	93373-16-1	knapsack	NA	NA
+FL5FFAGS0003	Herbacetin 7-rhamnoside	C21H20O11	448.10056	85571-15-9	knapsack	NA	NA
+FL5FFAGS0007	Herbacetin 8-rhamnoside	C21H20O11	448.10056	74137-44-3	knapsack	NA	NA
+FLIAACCS0001	8-C-Glucosylorobol	C21H20O11	448.10056	66026-81-1	knapsack	NA	NA
+FLIAACCS0002	6-C-Glucosylorobol	C21H20O11	448.10056	118949-92-1	knapsack	NA	NA
+FLIAACGS0001	Orobol 7-O-glucoside;Oroboside	C21H20O11	448.10056	20486-33-3	knapsack	NA	NA
+FLNAACGS0001	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside	C21H20O11	448.10056	116329-89-6	knapsack	NA	NA
+MJ065083	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 4-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065084	1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 1-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065085	1,2,6,8-Tetrahydroxy-3-methylanthraquinone; 2-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065086	1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 3-O-?-D-Galactopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065087	1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 3-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065088	2',3,5,7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065089	2',4',5,7-Tetrahydroxyisoflavone; 4'-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065090	2',4',5,7-Tetrahydroxyisoflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065091	2',5,6',7-Tetrahydroxyflavone; 2'-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065092	2,13-Dihydroxy-6,13-epoxy-13H-dibenzo[b,g][1,5]dioxonin-11(6H)-one; 5-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065093	3',4',5',7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065094	3',4',5,6,7-Pentahydroxyflavone; 6-O-?-L-Rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065095	3',4',5,6,7-Pentahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065096	3',4',5,7,8-Pentahydroxyflavone; 8-O-?-L-Rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065097	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 3'-O-?-D-Xylopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065098	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065099	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065100	3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Galactopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065101	3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065102	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065103	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucofuranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065104	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065105	3',4',5,7-Tetrahydroxyisoflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065106	3',4',6,7-Tetrahydroxyaurone; 6-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065107	3',4',6,7-Tetrahydroxyaurone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065108	3',4',7,8-Tetrahydroxyisoflavone; 8-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065109	3',4,4',6-Tetrahydroxyaurone; 4-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065110	3',4,4',6-Tetrahydroxyaurone; 6-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065111	3,3',4',5,7-Pentahydroxy-8-methylflavone; 3-O-?-D-Xylopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065112	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-L-Arabinofuranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065113	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-L-Arabinopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065114	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-Arabinoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065115	3,3',4',7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065116	3,3',4',7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065117	3,3',4',7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065118	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-Arabinoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065119	3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-L-Rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065120	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-?-L-rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065121	3,4',5,7,8-Pentahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065122	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-L-Rhamnopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065123	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Arabinoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065124	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-D-Arabinopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065125	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Xylopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065126	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinofuranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065127	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065128	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Allopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065129	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Mannopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065130	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Galactopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065131	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucofuranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065132	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065133	3,4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065134	3,4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065135	3,4',5,7-Tetrahydroxyflavone; 7-O-?-D-Allopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065136	4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065137	4',5,6,7-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065138	4',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065139	4',5,7,8-Tetrahydroxyflavone; 8-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065140	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-O-?-D-Glucopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065141	5,6,7-Trihydroxyflavanone, 7-O-?-D-Glucuronoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065142	5,7,8-Trihydroxyflavanone, 7-O-Glucuronopyranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065143	6-C-Galactopyranosyl-3',4',5,7-tetrahydroxyflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065144	6-Galactopyranosyl-4',5,7,8-tetrahydroxyflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065145	6-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065146	6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065147	8-C-Galactopyranosyl-3',4',5,7-tetrahydroxyflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065148	8-C-Glucopyranosyl-3,3',4',7-tetrahydroxyflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065149	8-Glucopyranosyl-2',4',5,7-tetrahydroxyisoflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065150	8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065151	Astragalin 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065152	Bergenin; 11-O-(4-Hydroxybenzoyl) 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065153	Carthamone 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065154	Fukiic acid, 2-O-(3-Hydroxy-4-methoxy-E-cinnamoyl) 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065155	Fukiic acid, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065156	Isoorientin 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065157	Orientin 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065158	Populnin 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065159	Quercetin 3-O-?-L-rhamnofuranoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065160	Quercitrin 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065161	Trifolin 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065162	Vincetoxicoside B 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065163	Luteolin 7-O-beta-D-glucoside 	C21H20O11	448.100561	NA	MeJP	NA	NA
+MJ065164	3',4',5,7,8-Pentahydroxyflavylium(1+); O-Glucoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065165	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065166	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 5-O-Xyloside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065167	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065168	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucofuranoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065169	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065170	3,3',4',5,7-Pentahydroxyflavylium(1+); 4'-O-?-D-Glucopyranoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MJ065171	3,3',4',5,7-Pentahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside 	C21H21O11(+)	448.100561	NA	MeJP	NA	NA
+MetaCyc03590	quercitrin []	C21H20O11	448.100561	522-12-3	metacyc	NA	NA
+MetaCyc03591	isoorientin []	C21H20O11	448.100561	4261-42-1	metacyc	NA	NA
+MetaCyc03592	kaempferol-3-glucoside [kaempferol-3-O-D-glucoside;]	C21H20O11	448.100561	NA	metacyc	NA	NA
+MetaCyc03593	7-O-&beta;-D-glucosyl-5,7,3',4'-tetrahydroxyflavone [luteolin 7-O-glucoside;luteolin 7-O-&beta;-D-glucoside;]	C21H20O11	448.100561	NA	metacyc	NA	NA
+C01750	Quercitrin	C21H20O11	448.1006	NA	KEGG	NA	NA
+C01821	Isoorientin	C21H20O11	448.1006	NA	KEGG	NA	NA
+C03951	Luteolin 7-O-beta-D-glucoside	C21H20O11	448.1006	NA	KEGG	NA	NA
+C08598	Carthamone	C21H20O11	448.1006	NA	KEGG	NA	NA
+C10042	Fisetin 8-C-glucoside	C21H20O11	448.1006	NA	KEGG	NA	NA
+C10114	Orientin	C21H20O11	448.1006	NA	KEGG	NA	NA
+C12249	Astragalin	C21H20O11	448.1006	NA	KEGG	NA	NA
+C12626	Kaempferol 3-O-beta-D-galactoside	C21H20O11	448.1006	NA	KEGG	NA	NA
+C16409	Aureusidin 6-O-glucoside	C21H20O11	448.1006	NA	KEGG	NA	NA
+C17056	Plantaginin	C21H20O11	448.1006	NA	KEGG	NA	NA
+JH233	Luteolin-7-O-glucoside [M+H]+	C21H20O11	448.103	13.24	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH233	Luteolin-7-O-glucoside [M+H]+	C21H20O11	448.103	13.24	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH233	Luteolin-7-O-glucoside [M+H]+	C21H20O11	448.103	13.24	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH233	Luteolin-7-O-glucoside [M+H]+	C21H20O11	448.103	13.24	Inhousejuil11	NA	NA
+C11373	Temocaprilat	C21H24N2O5S2	448.1127	NA	KEGG	NA	NA
+FL3FQUNP0003	Artonin P;8,9-Dihydro-6,11-dihydroxy-3,3-dimethyl-9-(1-methylethenyl)-9a,13a-epoxy-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione	C25H20O8	448.11581	151606-37-0	knapsack	NA	NA
+MJ065172	Artonin P 	C25H20O8	448.115817	NA	MeJP	NA	NA
+MJ065173	Knipholone; 6'-Me ether 	C25H20O8	448.115817	NA	MeJP	NA	NA
+MJ065174	Scutellaprostin A 	C25H20O8	448.115817	NA	MeJP	NA	NA
+MJ065175	Scutellaprostin D 	C25H20O8	448.115817	NA	MeJP	NA	NA
+MJ065176	Clathridine-9-N-(2-sulfoethyl)imine 	C18H20N6O6S	448.116503	NA	MeJP	NA	NA
+PJ001631	SCCH 	C15H24N6O6S2	448.1199	NA	PeJP	NA	NA
+MJ065177	2,5-Dihydroxybenzoic acid; 5-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C18H24O13	448.12169	NA	MeJP	NA	NA
+MJ065178	Aralidioside 	C18H24O13	448.12169	NA	MeJP	NA	NA
+MJ065179	Clentiazem 	C22H25ClN2O4S	448.122355	NA	MeJP	NA	NA
+PJ001632	PCDD 	C16H24N4O9S	448.1264	NA	PeJP	NA	NA
+MJ065180	Falconensin A; 3''-Dechloro 	C23H25ClO7	448.12888	NA	MeJP	NA	NA
+C17391	Sakuranin	C22H24O10	448.1369	NA	KEGG	NA	NA
+FL1C1CGS0004	Homobutein 4-glucoside	C22H24O10	448.13694	146-80-5	knapsack	NA	NA
+FL1C3AGS0005	Homobutein 4'-O-glucoside;4,2',4'-Trihydroxy-3-methoxychalcone 4'-O-glucoside	C22H24O10	448.13694	89648-27-1	knapsack	NA	NA
+FL1CA8GS0001	Androechin;2,2',6'-Trihydroxy-4'-methoxychalcone 2'-O-glucoside	C22H24O10	448.13694	423775-36-4	knapsack	NA	NA
+FL1CBAGS0001	4,2',4'-Trihydroxy-6'-methoxychalcone 4-glucoside	C22H24O10	448.13694	155913-99-8	knapsack	NA	NA
+FL1CBAGS0002	Helichrysin	C22H24O10	448.13694	61826-89-9	knapsack	NA	NA
+FL1CCAGS0001	Neosakuranin	C22H24O10	448.13694	31187-54-9	knapsack	NA	NA
+FL2FA8GS0001	Haplanthin	C22H24O10	448.13694	62346-16-1	knapsack	NA	NA
+FL2FAAGM0001	Poriolin	C22H24O10	448.13694	24274-44-0	knapsack	NA	NA
+FL2FABGS0002	Isosakuranetin 5-O-glucoside	C22H24O10	448.13694	70863-90-0	knapsack	NA	NA
+FL2FABGS0004	Isosakuranin	C22H24O10	448.13694	494-69-0	knapsack	NA	NA
+FL2FABGS0008	Puddumin B	C22H24O10	448.13694	28585-70-8	knapsack	NA	NA
+FL2FAEGS0005	Hesperetin 7-O-rhamnoside	C22H24O10	448.13694	66513-83-5	knapsack	NA	NA
+FL2FBAGS0001	Puddumin A	C22H24O10	448.13694	110187-26-3	knapsack	NA	NA
+FL2FBAGS0002	Alhagitin;7,4'-Dihydroxy-5-methoxyflavanone 4'-glucoside	C22H24O10	448.13694	238750-97-5	knapsack	NA	NA
+FL2FCAGS0001	Sakuranin	C22H24O10	448.13694	529-39-5	knapsack	NA	NA
+FL2FE9GS0002	6,7-Dihydroxy-5-methoxyflavanone 7-O-glucoside	C22H24O10	448.13694	150036-32-1	knapsack	NA	NA
+FL2FF9GS0002	Dihydrowogonin 7-O-glucoside	C22H24O10	448.13694	99211-28-6	knapsack	NA	NA
+FL3FGLNS0007	Agehoustin C	C22H24O10	448.13694	97564-57-3	knapsack	NA	NA
+FL4DABGS0001	Dihydrokaempferide 7-rhamnoside	C22H24O10	448.13694	114847-26-6	knapsack	NA	NA
+FL5FGGNS0012	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone	C22H24O10	448.13694	5244-28-0	knapsack	NA	NA
+FL5FGGNS0013	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone	C22H24O10	448.13694	95165-17-6	knapsack	NA	NA
+MJ065181	2',3',4',5,5',6,7,8-Octahydroxyflavone; 2',4',5,5',6,7,8-Hepta-Me ether 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065182	2',3,4,4'-Tetrahydroxychalcone; 3-Me ether, 4'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065183	2',3,4,4'-Tetrahydroxychalcone; 3-Me ether, 4-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065184	2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether, 4'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065185	2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether, 4-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065186	2',4,4',6'-Tetrahydroxychalcone; 4'-Me ether, 2'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065187	2',5,7-Trihydroxyflavanone, 7-Me ether, 2'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065188	3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-?-L-Rhamnopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065189	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,3',4',5',6,7,8-Hepta-Me ether 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065190	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',5,5',6,7,8-Hepta-Me ether 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065191	3,4',5,7-Tetrahydroxyflavanone, 4'-Me ether, 7-O-?-L-rhamnopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065192	3,5,7-Trihydroxyflavanone, 5-Me ether, 3-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065193	4',5,7-Trihydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065194	4',5,7-Trihydroxyflavanone, 5-Me ether, 4'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065195	4',5,7-Trihydroxyflavanone, 5-Me ether, 7-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065196	4',5-Dihydroxy-7-methoxyflavanone, 5-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065197	5,6,7-Trihydroxyflavanone, 5-Me ether, 7-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065198	5,6,7-Trihydroxyflavanone, 6-Me ether, 7-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065199	5,7,8-Trihydroxyflavanone, 8-Me ether, 7-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065200	5,7-Dihydroxy-4'-methoxyflavanone, 5-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065201	5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-D-Galactopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065202	5,7-Dihydroxy-4'-methoxyflavanone, 7-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065203	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1'-Benzoyl, 1,2,3,4-tetra-Ac 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065204	Aloin, 7-Hydroxy, 8-Me ether 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065205	Imperatorin; 4'-?-D-Glucopyranosyloxy(E-) 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065206	Imperatorin; 4'-?-D-Glucopyranosyloxy(Z-) 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065207	Matteuorienin 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065208	Phyllodulcin, 3'-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065209	Phyllodulcin, 8-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065210	Phyllodulcin, O-De-Me, O3'-Me, 4'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065211	Phyllodulcin, 3'-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065212	Phyllodulcin, 8-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065213	Phyllodulcin, O-De-Me, O3'-Me, 4'-O-?-D-glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065214	Populoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065215	Quinquangulin; 6-O-?-D-Glucopyranoside 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065216	Salicin; 6'-O-(3,4-Dihydroxycinnamoyl)(E-) 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065217	chiro-Inositol, 1,5-Bis(4-hydroxyphenylacetyl) 	C22H24O10	448.136946	NA	MeJP	NA	NA
+MJ065218	neo-Inositol; 1,4-Bis(4-hydroxyphenylacetyl) 	C22H24O10	448.136946	NA	MeJP	NA	NA
+PJ001633	GDEE 	C16H24N4O11	448.1442	NA	PeJP	NA	NA
+MJ065219	Pamicogrel 	C25H24N2O4S	448.145677	NA	MeJP	NA	NA
+FL3FALNP0005	Cycloartomunin;6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one	C26H24O7	448.1522	135023-19-7	knapsack	NA	NA
+FL3FRNND0004	Cycloartomunoxanthone;5a,6-Dihydro-1,8-dihydroxy-3-methoxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one	C26H24O7	448.1522	135023-20-0	knapsack	NA	NA
+FL3FRNNP0004	Artomunoxanthone;8,9-Dihydro-6,10,13-trihydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthen-7-one	C26H24O7	448.1522	139906-74-4	knapsack	NA	NA
+FL3FRNNP0005	Artonol E;6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one	C26H24O7	448.1522	186824-61-3	knapsack	NA	NA
+MJ065220	Artonol E 	C26H24O7	448.152203	NA	MeJP	NA	NA
+MJ065221	Cycloartomunin 	C26H24O7	448.152203	NA	MeJP	NA	NA
+MJ065222	Cycloartomunoxanthone 	C26H24O7	448.152203	NA	MeJP	NA	NA
+MJ065223	Rocaglatic acid; Decarboxy, 4'-demethoxy, 3',4'-methylenedioxy 	C26H24O7	448.152203	NA	MeJP	NA	NA
+MJ065224	Win 45306 	C24H21FN4O4	448.154683	NA	MeJP	NA	NA
+MJ065225	Lirequinil 	C26H25ClN2O3	448.15537	NA	MeJP	NA	NA
+MJ065226	Tolvaptan 	C26H25ClN2O3	448.15537	NA	MeJP	NA	NA
+PJ001634	SNND 	C15H24N6O10	448.1554	NA	PeJP	NA	NA
+MJ065227	3-[2-(1,3,3a,4,5,9b-Hexahydro-6-methoxy-2H-benz[e]isoindol-2-yl)ethyl]pyrido[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione 	C24H24N4O3S	448.156911	NA	MeJP	NA	NA
+MJ065228	2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C19H28O12	448.158076	NA	MeJP	NA	NA
+MJ065229	5-Methyl-1,3-benzenediol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H28O12	448.158076	NA	MeJP	NA	NA
+MJ065230	Ipolamiide; 8-Ac 	C19H28O12	448.158076	NA	MeJP	NA	NA
+MJ065231	Shanzhiside; 6-Ac, Me ester 	C19H28O12	448.158076	NA	MeJP	NA	NA
+MJ065232	Shanzhiside; 8-Ac, Me ester 	C19H28O12	448.158076	NA	MeJP	NA	NA
+MJ065233	Splendoside; 10-Ac 	C19H28O12	448.158076	NA	MeJP	NA	NA
+PJ001635	DEW 	C20H24N4O8	448.1594	NA	PeJP	NA	NA
+PJ001636	SPDM 	C17H28N4O8S	448.1628	NA	PeJP	NA	NA
+MJ065234	Phenanthroviridin 	C25H24N2O6	448.163436	NA	MeJP	NA	NA
+MJ065235	Pranidipine 	C25H24N2O6	448.163436	NA	MeJP	NA	NA
+MJ065236	5,6-Dihydroxy-7-protoilluden-14-al, 5-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H29ClO6	448.165266	NA	MeJP	NA	NA
+MJ065237	Guayacanin 	C30H24O4	448.167459	NA	MeJP	NA	NA
+MJ065238	Tecomaquinone I 	C30H24O4	448.167459	NA	MeJP	NA	NA
+MJ065239	Cryptoquindoline 	C31H20N4	448.168796	NA	MeJP	NA	NA
+FL1CELNS0002	2,3,4,5,2',3',4',6'-Octamethoxychalcone	C23H28O9	448.17333	121697-04-9	knapsack	NA	NA
+FL6FCBGS0001	Dichotosin	C23H28O9	448.17333	97399-72-9	knapsack	NA	NA
+MJ065240	1,4-Epoxy-1,8,13-trihydroxy-5,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 1,13-di-Ac 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065241	1,5,6,9,12-Pentahydroxy-7-protoilluden-14-al, 5-(2,4-Dihydroxy-6-methylbenzoyl) 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065242	2,2',3,3',4,4',5,6'-Octahydroxychalcone; Octa-Me ether 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065243	2,6,10,13-Tetrahydroxy-3,7(11),8-germacratrien-12,8-olide, 6-(2-Methylpropenoyl), 2,13-di-Ac 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065244	4',5,7-Trihydroxyflavan, 4',7-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065245	4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 2,13-di-Ac 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065246	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065247	5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-Angeloyl, 8-Ac, Me ester 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065248	8,10,13-Trihydroxy-1-oxo-4,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 10,13-di-Ac 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065249	8,9,10-Trihydroxy-1-oxo-2,11(13)-germacradien-12,6-olide, 2?,3?-Epoxide, 8,9-bis(2-methyl-2-propenoyl) 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065250	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065251	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065252	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2,3-Epoxy-2-methylbutanoyl), 8-Ac, Me ester 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065253	Exfoliamycin; 3-Me ether 	C23H28O9	448.173332	NA	MeJP	NA	NA
+MJ065254	Undulatin 	C23H28O9	448.173332	NA	MeJP	NA	NA
+PJ001637	GNQM 	C16H28N6O7S	448.174	NA	PeJP	NA	NA
+PJ001638	GGGGAM 	C16H28N6O7S	448.1741	NA	PeJP	NA	NA
+PJ001639	ATEE 	C17H28N4O10	448.1806	NA	PeJP	NA	NA
+PJ001640	APMM 	C18H32N4O5S2	448.1814	NA	PeJP	NA	NA
+MJ065255	2,4,6,8,10-Dodecapentaenedioic acid, 1-L-Aspartic acid-L-isoleucine diamide 	C22H28N2O8	448.184565	NA	MeJP	NA	NA
+MJ065256	Amicoumacin C; N-Ac 	C22H28N2O8	448.184565	NA	MeJP	NA	NA
+PJ001641	GCNR 	C15H28N8O6S	448.1853	NA	PeJP	NA	NA
+7816	ACE inhibitor from chickpea legumin	MDLA	448.1883	antibacterial	Inhouse_peptide	NA	peptide
+FLIHBBNI0001	Lonchocarpenin	C27H28O6	448.18858	22263-56-5	knapsack	NA	NA
+MJ065257	3-(3,4-Dihydro-7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4-hydroxy-5-[[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]methylene]-2(5H)-furanone 	C27H28O6	448.188588	NA	MeJP	NA	NA
+MJ065258	Aspulvinone A; 7'-Hydroxy 	C27H28O6	448.188588	NA	MeJP	NA	NA
+MJ065259	Aspulvinone B; 7'-Hydroxy 	C27H28O6	448.188588	NA	MeJP	NA	NA
+MJ065260	Fusariocin C 	C27H28O6	448.188588	NA	MeJP	NA	NA
+MJ065261	Griffonianone C 	C27H28O6	448.188588	NA	MeJP	NA	NA
+MJ065262	Lonchocarpic acid; 4'-Me ether 	C27H28O6	448.188588	NA	MeJP	NA	NA
+MJ065263	Rocaglatic acid; Decarboxy, 8b-Me ether 	C27H28O6	448.188588	NA	MeJP	NA	NA
+C10491	Lonchocarpenin	C27H28O6	448.1886	NA	KEGG	NA	NA
+MJ065264	Kumujansine 	C28H25N4O2(+)	448.189926	NA	MeJP	NA	NA
+MJ065265	Picrasidine T, Dideoxy 	C28H25N4O2(+)	448.189926	NA	MeJP	NA	NA
+PJ001642	SSQQ 	C16H28N6O9	448.1918	NA	PeJP	NA	NA
+PJ001643	GPEF 	C21H28N4O7	448.1958	NA	PeJP	NA	NA
+PJ001644	GLEM 	C18H32N4O7S	448.1992	NA	PeJP	NA	NA
+C12183	Obliquine	C26H28N2O5	448.1998	NA	KEGG	NA	NA
+MJ065266	Antibiotic RP 1551-5 	C25H33ClO5	448.201651	NA	MeJP	NA	NA
+MJ065267	Clogestone; Di-Ac 	C25H33ClO5	448.201651	NA	MeJP	NA	NA
+8013	synthetic peptide	LWM	448.2034	antibacterial	Inhouse_peptide	NA	peptide
+CJpos0794	Sebacic acid [(2M-H+2Na)]+	C20H35Na2O8	448.204275	C18rt(min)=7.65 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0794	Sebacic acid [(2M-H+2Na)]+	C20H35Na2O8	448.204275	C18rt(min)=7.65 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+C04300	Estradiol-17alpha 3-D-glucuronoside	C24H32O8	448.2097	NA	KEGG	NA	NA
+C05503	Estradiol-17beta 3-glucuronide	C24H32O8	448.2097	NA	KEGG	NA	NA
+C09121	Jodrellin A	C24H32O8	448.2097	NA	KEGG	NA	NA
+C11237	17beta-Estradiol 17-(beta-D-glucuronide)	C24H32O8	448.2097	NA	KEGG	NA	NA
+HMDB04482	2-Methoxyestrone 3-glucuronide	C24H32O8	448.209717	NA	HMDB2010	NA	NA
+HMDB06224	17-beta-estradiol-3-glucuronide	C24H32O8	448.209717	NA	HMDB2010	NA	NA
+HMDB10317	17-beta-estradiol glucuronide	C24H32O8	448.209717	NA	HMDB2010	NA	NA
+HMDB10322	17-alpha-estradiol-3-glucuronide	C24H32O8	448.209717	NA	HMDB2010	NA	NA
+HMDB10349	Estradiol-17alpha 3-D-glucuronoside	C24H32O8	448.209717	NA	HMDB2010	NA	NA
+MJ065268	1,2,3-Trihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-(2-Methylbutanoyl), di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065269	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 6-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065270	1,5,6,7,14-Vouacapanepentol, 1-Ketone, 6,7-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065271	11,12-Epoxy-4,7,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 4,14-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065272	11,12-Epoxy-4,7,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 7,14-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065273	12-O-Desacetyl-7-O-acetyl-19-acetoxycoleon P 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065274	14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-Angeloyl, 14,15-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065275	14,15-Epoxy-4-isocedrene-3,8,14,15-tetrol, 3-Angeloyl,14,15-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065276	16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 3,7-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065277	16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 7,11-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065278	19-Acetoxycoleon Q; 12-De-Ac, 7-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065279	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 6,19-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065280	2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065281	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,4-Methylene, 3',5,5',9,9'-penta-Me ether 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065282	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',4,4',5,5'-Hexa-Me ether 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065283	3,4-Epoxy-1,5,8-trihydroxy-7(14),10-bisaboladien-2-one, 8-Angeloyl, 1,5-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065284	3,7,12,14,18-Pentahydroxy-16-kauren-15-one, 12-Ketone, 3,18-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065285	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,7,19-tetrol, 6-Ketone, 3,19-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065286	6,7,12,16-Tetrahydroxy-8,12-abietadiene-11,14-dione, 7,16-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065287	7,20-Epoxy-1,6,7,18-tetrahydroxy-16-kauren-15-one, 1,18-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065288	7,20-Epoxy-1,6,7,19-tetrahydroxy-16-kauren-15-one, 1,19-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065289	7,20-Epoxy-16-kaurene-1,3,6,7,15-pentol, 1-Ketone, 6,15-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065290	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 15-Ketone, 1,11-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065291	7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol, 15-Ketone, 3,19-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065292	7,20-Epoxy-6,7,11,19-tetrahydroxy-16-kauren-15-one, 11,19-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065293	7-Protoilludene-1,5,6,9,14-pentol, 14-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065294	7-Protoilludene-1,5,6,9,14-pentol, 5-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065295	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-Angeloyl, 10,11-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065296	8,17-Epoxy-2,9,12-trihydroxy-5,13-briaradien-18,7-olide, 2,12-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065297	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 2,14-Di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065298	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-(2-Methylbutanoyl), 9-(2-methylpropanoyl) 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065299	Alcyonolide; 15-Acetoxy 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065300	Asatone 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065301	Barbatusin; 3?-Alcohol 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065302	Branacenal; 20-Carboxylic acid 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065303	Caesalpinin B 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065304	Coleon R; O12-De-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065305	Cubebinin 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065306	Exidonin 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065307	Hydroxyniranthin 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065308	Isoasatone 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065309	Ligulaverin C; 6,19-Dideacyl, 3?-angeloyloxy 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065310	Nodosin; 15?-Alcohol, 6,15-di-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065311	Polemannone; 4,4',5,5'-Tetramethoxy 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065312	Rabdokaurin D; 6-Ac 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065313	Rastronol D 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065314	Secoexsertifolin A; 16,17-Didehydro 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065315	Shikoccin; 1?-Acetoxy, 8?,14?-epoxide 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065316	Syl A 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065317	Thuridillin A 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MJ065318	Thuridillin B 	C24H32O8	448.209718	NA	MeJP	NA	NA
+MetaCyc03594	estriol-16a-glucuronide [estriol-16-&alpha;-glucuronide;]	C24H32O8	448.209718	NA	metacyc	NA	NA
+MetaCyc03595	estradiol-17-&alpha;-3-D-glucuronoside []	C24H32O8	448.209718	NA	metacyc	NA	NA
+HMDB04482	2-Methoxyestrone 3-glucuronide	C24H32O8	448.20972	http://www.hmdb.ca/metabolites/HMDB04482	HMDB	NA	NA
+HMDB06224	17beta-estradiol-3-glucuronide	C24H32O8	448.20972	http://www.hmdb.ca/metabolites/HMDB06224	HMDB	NA	NA
+HMDB04482	2-Methoxyestrone 3-glucuronide	C24H32O8	448.20972	HMDB04482	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06224	17beta-estradiol-3-glucuronide	C24H32O8	448.20972	HMDB06224	PFEM_hmdb_metabocards_official	NA	NA
+PJ001645	GNKM 	C17H32N6O6S	448.2104	NA	PeJP	NA	NA
+MJ065319	N-[4-(Diethylamino)-1-methylbutylidene]-2-[2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxamide 	C25H28N4O4	448.211055	NA	MeJP	NA	NA
+PJ001646	PFW 	C25H28N4O4	448.2111	NA	PeJP	NA	NA
+PJ001647	LMW 	C22H32N4O4S	448.2144	NA	PeJP	NA	NA
+PJ001648	STLE 	C18H32N4O9	448.2169	NA	PeJP	NA	NA
+7982	synthetic peptide	HRH	448.217	antioxidative	Inhouse_peptide	NA	peptide
+7987	synthetic peptide	RHH	448.217	inhibitor	Inhouse_peptide	NA	peptide
+PJ001649	GVHH 	C19H28N8O5	448.2183	NA	PeJP	NA	NA
+3093	gliadin 2 exorphin	YPLG	448.22	celiac toxic	Inhouse_peptide	NA	peptide
+7552	ACE inhibitor	VFPS	448.22	antioxidative	Inhouse_peptide	NA	peptide
+MJ065320	1,3,7-Trihydroxy-2,8-diprenylxanthone; 7-O-(1,1-Dimethyl-2-propenoyl) 	C28H32O5	448.224974	NA	MeJP	NA	NA
+MJ065321	2-Geranyl-1,3,7-trihydroxy-4-prenylxanthone 	C28H32O5	448.224974	NA	MeJP	NA	NA
+MJ065322	4-Hydroxy-3,5-diprenylcinnamic acid, 5''-(3-Phenylpropanoyloxy) 	C28H32O5	448.224974	NA	MeJP	NA	NA
+MJ065323	Wightianone; 3,4-Didehydro 	C28H32O5	448.224974	NA	MeJP	NA	NA
+MJ065324	Usambarensine; 6'-Hydroxy 	C29H28N4O	448.226311	NA	MeJP	NA	NA
+PJ001650	SSQK 	C17H32N6O8	448.2282	NA	PeJP	NA	NA
+MJ065325	Tixocortol; 17-Butanoyl 	C25H36O5S	448.228344	NA	MeJP	NA	NA
+PJ001651	HHR 	C18H28N10O4	448.2295	NA	PeJP	NA	NA
+MJ065326	2-Bornanol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065327	2-Bornanol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065328	2-Bornanol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065329	3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol, O-[D-Apio-?-D-furanosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065330	3,4,10,11,14-Guaianepentol, 2-Ketone, 11-O-?-D-glucopyranoside 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065331	3,7-Dimethyl-1,6-octadien-3-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065332	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065333	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065334	3,7-Dimethyl-1,6-octadien-3-ol, O-[?-DApiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065335	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065336	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065337	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065338	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065339	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065340	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065341	Lavandulol, O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O10	448.230847	NA	MeJP	NA	NA
+MJ065342	Patrinioside 	C21H36O10	448.230847	NA	MeJP	NA	NA
+PJ001652	GPLY 	C22H32N4O6	448.2322	NA	PeJP	NA	NA
+PJ001653	SVLM 	C19H36N4O6S	448.2356	NA	PeJP	NA	NA
+PJ001654	PPVH 	C21H32N6O5	448.2434	NA	PeJP	NA	NA
+MJ065343	1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,8-Diangeloyl 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065344	1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,9-Diangeloyl 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065345	1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3-Angeloyl, 8-(3-methyl-2-butenoyl) 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065346	14,15-Epoxy-5(15)-isocedrene-9,12,14-triol, 9-(3-Methylbutanoyl), 14-(2-methylbutanoyl) 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065347	15,16-Epoxy-3,13(16),14-clerodatrien-17-ol; ent-form, 17-Carboxylic acid, xylopyranosyl ester 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065348	2,4,9-Trihydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl, 4-(3-methylbutanoyl) 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065349	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11,12-Di-Ac 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065350	3,3',4,4',5,9,9'-Heptahydroxylignan, Hepta-Me ether 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065351	3,4:10,11-Diepoxy-7(14)-bisabolene-1,2,8-triol; 1,8-Diangeloyl 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065352	4,5-Epoxy-1(10)-germacrene-6,8-diol, 8-(3,4,5-Trimethoxybenzoyl) 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065353	7,11,14-Trihydroxy-8,15-isopimaradien-18-oic acid, 7,14-Di-Ac, Me ester 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065354	8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxylic acid, 1,7-di-Ac, Me ester 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065355	8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxylic acid, 7,14-di-Ac, Me ester 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065356	Antibiotic L 731128 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065357	Fasciospongide B 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065358	Fasciospongide C 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065359	Ingol; 8-Tigloyl 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065360	Salvileucolide; ?13(21)-Isomer, 14-hydroperoxy, 23?6 lactone 	C25H36O7	448.246103	NA	MeJP	NA	NA
+MJ065361	Vibsanin H; 15-Hydroperoxide 	C25H36O7	448.246103	NA	MeJP	NA	NA
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR451	Androsterone glucuronide F2	NA	448.246575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR451	Androsterone glucuronide F2	NA	448.246575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR451	Androsterone glucuronide F2	NA	448.246575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR451	Androstérone glucuronide F2	F2	448.246575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR451	Androsterone glucuronide F2	NA	448.246575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR451	Androsterone glucuronide F2	F2	448.246575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+C16566	Glutathionylaminopropylcadaverine	C18H36N6O5S	448.2468	NA	KEGG	NA	NA
+PJ001655	ACKK 	C18H36N6O5S	448.2468	NA	PeJP	NA	NA
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR459	Dehydrotestosterone glucuronide F4	NA	448.247575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR459	Dehydrotestosterone glucuronide F4	NA	448.247575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR459	Dehydrotestosterone glucuronide F4	NA	448.247575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR459	Déhydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR459	Dehydrotestosterone glucuronide F4	NA	448.247575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR459	Dehydrotestosterone glucuronide F4	F4	448.247575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ065362	Heliotropium europaeum Alkaloid 	C24H37N2O6(+)	448.257336	NA	MeJP	NA	NA
+MJ065363	15-Hydroxy-16-kauren-19-oic acid, Cinnamoyl 	C29H36O4	448.261359	NA	MeJP	NA	NA
+MJ065364	16,17-Dihydroxypregn-4-ene-3,20-dione, 16,17-Acetophenone cyclic ketal 	C29H36O4	448.261359	NA	MeJP	NA	NA
+MJ065365	16-Kaurene-3,19-diol, 19-Carboxylic acid, 3-cinnamoyl 	C29H36O4	448.261359	NA	MeJP	NA	NA
+MJ065366	3,28-Dihydroxy-24,30-dinor-1(10),3,5,7,20(29)-friedelapentaen-2-one; 28-Carboxylic acid, Me ester 	C29H36O4	448.261359	NA	MeJP	NA	NA
+MJ065367	5-Hydroxy-3,12,14-visciatrien-16,13-olide; (3-Phenylpropanoyl) 	C29H36O4	448.261359	NA	MeJP	NA	NA
+MJ065368	Mappain 	C29H36O4	448.261359	NA	MeJP	NA	NA
+MJ065369	Retinoic acid, 2-(4-Methoxyphenyl)-2-oxoethyl ester 	C29H36O4	448.261359	NA	MeJP	NA	NA
+C14674	16alpha,17alpha-Dihydroxyprogesterone acetophenide	C29H36O4	448.2614	NA	KEGG	NA	NA
+MJ065370	Usambarensine; 3',4'-Dihydro, Nb-Me 	C30H33N4(+)	448.262697	NA	MeJP	NA	NA
+PJ001656	SSKK 	C18H36N6O7	448.2646	NA	PeJP	NA	NA
+C11297	N-Acetyl-leu-leu-tyr-amide	C23H36N4O5	448.2686	NA	KEGG	NA	NA
+PJ001657	GLLF 	C23H36N4O5	448.2686	NA	PeJP	NA	NA
+MJ065371	26-Chloro-3-hydroxycholest-5-ene-16,22-dione 	C27H41ClO3	448.274422	NA	MeJP	NA	NA
+MJ065372	11,12-Epoxy-7-drimene-2,3,11-triol, 2-Angeloyl, 3-(2-methylpentanoyl) 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065373	11-Eremophilene-3,8,9-triol, 3-(4-Angeloyloxy-2Z-hexenoyl) 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065374	11-Eremophilene-3,8,9-triol, 3-(5-Angeloyloxy-2Z-hexenoyl) 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065375	17,18-Dihydroxy-19-kauranoic acid, 18-(2-Methylpropanoyl), 17-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065376	2,4,9-Trihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl) 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065377	2,6-Dolabelladiene-8,10,18-triol, Tri-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065378	2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 11-Butanoyl, 4-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065379	4(18),13-Clerodadiene-12,15,16-triol, Tri-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065380	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(2-Methylpropanoyl), 2-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065381	6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 6-(2-Methylpropanoyl), 7-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065382	7,13-Labdadiene-2,15-diol, 2-Succinoyl, 15-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065383	7,15-Isopimaradiene-3,19-diol, 19-O-(4-Deoxy-?-D-threo-hex-4-enopyranoside) 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065384	7,16-Seco-7,11-trinervitadiene-3,9,15-triol, Tri-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065385	8(14)-Pimarene-3,15,16-triol, Tri-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065386	8,13-Labdadiene-6,7,15-triol, Tri-Ac 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065387	Homoancepsenolide; 7'',8''-Didehydro, 3,4-dihydro, 4-acetoxy 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065388	Pregn-5-ene-3,11,12,14,20-pentol, 11-O-(3-Methyl-2-butenoyl) 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065389	Pregn-5-ene-3,11,12,14,20-pentol, Mono-O-tigloyl 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065390	Salvileucolide; Me ester 	C26H40O6	448.282489	NA	MeJP	NA	NA
+MJ065391	24-Hydroxy-3-oxocycloarta-1,11,25-trien-21-oic acid, 21?24 Lactone 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065392	3-Oxocycloarta-1,11,24-trien-21,23-olide 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065393	5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-?,?-carotenal 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065394	8,11';12,12'-Bi[1(10),7-eremophiladien-9-one]; 11?-Hydroxy 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065395	Chamaecydin 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065396	Cryptomanhydride 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065397	Versicolactone D 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065398	Xylopia guaiane dimer 	C30H40O3	448.297745	NA	MeJP	NA	NA
+MJ065399	Trybizine 	C20H36N10O2	448.30227	NA	MeJP	NA	NA
+MJ065400	Alfileramine; Na-De-Me 	C29H40N2O2	448.308978	NA	MeJP	NA	NA
+MJ065401	Alfileramine; Nb-De-Me 	C29H40N2O2	448.308978	NA	MeJP	NA	NA
+MJ065402	13,17,19-Villanovanetriol, 19-O-(3-Methylbutanoyl), 17-Ac 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065403	2,3,14,26-Tetrahydroxycholest-7-en-6-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065404	2,3,22,25-Tetrahydroxycholest-7-en-6-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065405	22,25-Epoxyfurostane-1,3,26-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065406	3,13,17-Villanovanetriol, 3-O-(3-Methylbutanoyl), 17-Ac 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065407	3,14,20,25-Tetrahydroxycholest-7-en-6-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065408	3,14,22,25-Tetrahydroxycholest-7-en-6-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065409	3,14,22,25-Tetrahydroxycholest-8-en-6-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065410	3,22,26-Trihydroxyfurostan-12-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065411	3,5,14,25-Tetrahydroxycholest-7-en-6-one 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065412	3,7,12,22-Tetrahydroxycholestan-26-oic acid ?-lactone 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065413	3,7,12-Trihydroxycholest-23-en-26-oic acid 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065414	6,16,17-Kauranetriol, 17-(2-Methylbutanoyl), 6-Ac 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065415	7,16,17-Kauranetriol, 17-(2-Methylbutanoyl), 7-Ac 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065416	9,11-Epoxycholest-7-ene-3,5,6,19-tetrol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065417	Cholesta-7,14-diene-3,5,6,20,25-pentol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065418	Funchaligenin 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065419	Spirostane-1,2,3-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065420	Spirostane-1,3,25-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065421	Spirostane-1,3,27-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065422	Spirostane-1,3,5-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065423	Spirostane-2,3,11-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065424	Spirostane-2,3,12-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065425	Spirostane-2,3,15-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065426	Spirostane-2,3,19-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065427	Spirostane-2,3,23-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065428	Spirostane-2,3,27-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065429	Spirostane-2,3,4-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065430	Spirostane-2,3,5-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065431	Spirostane-2,3,6-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065432	Spirostane-3,5,6-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065433	Spirostane-3,6,23-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065434	Spirostane-3,6,25-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065435	Spirostane-x,y,z-triol 	C27H44O5	448.318874	NA	MeJP	NA	NA
+MJ065436	Xestobergsterol B; 1,2-Dideoxy 	C27H44O5	448.318874	NA	MeJP	NA	NA
+C08890	Convallagenin A	C27H44O5	448.3189	NA	KEGG	NA	NA
+C08896	Digitogenin	C27H44O5	448.3189	NA	KEGG	NA	NA
+C16495	2-Deoxyecdysone	C27H44O5	448.3189	NA	KEGG	NA	NA
+MJ065437	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-Methyl-2-(tetraprenylmethyl)-2H-1-benzopyran-6-ol 	C31H44O2	448.33413	NA	MeJP	NA	NA
+MJ065438	2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol, Quinone 	C31H44O2	448.33413	NA	MeJP	NA	NA
+MJ065439	Difurospinosulin 	C31H44O2	448.33413	NA	MeJP	NA	NA
+MJ065440	2-Hexaprenyl-6-methoxyphenol 	C31H44O2	448.33413	NA	MeJP	NA	NA
+MJ065441	Crambine A 	C24H44N6O2	448.352574	NA	MeJP	NA	NA
+MJ065442	2,3,22,23-Tetrahydroxyergost-24(28)-en-6-one, 6-Deoxo 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065443	2-Heneicosyl-3,6-dihydroxy-5-methyl-1,4-benzoquinone 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065444	3,22,23-Trihydroxyergostan-6-one 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065445	5,6-Epoxyergostane-3,22,25-triol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065446	Ergost-22-ene-3,5,6,25-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065447	Ergost-24(28)-ene-1,3,5,6-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065448	Ergost-24(28)-ene-3,5,6,19-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065449	Ergost-24(28)-ene-3,6,9,19-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065450	Ergost-25-ene-1,3,5,6-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065451	Ergost-5-ene-3,22,25,28-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065452	Ergost-5-ene-3,7,24,28-tetrol 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065453	Ergosta-7,22-diene-3,5,6,9-tetrol, 22,23-Dihydro 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MJ065454	Margosinolone; 7'-Deoxy, 8'-oxo 	C28H48O4	448.35526	NA	MeJP	NA	NA
+MetaCyc03596	typhasterol []	C28H48O4	448.35526	NA	metacyc	NA	NA
+MetaCyc03597	teasterone []	C28H48O4	448.35526	NA	metacyc	NA	NA
+C15791	Teasterone	C28H48O4	448.3553	NA	KEGG	NA	NA
+C15793	Typhasterol	C28H48O4	448.3553	NA	KEGG	NA	NA
+MJ065455	24-Ethyl-5,6-secocholest-7-ene-3,5,6-triol 	C29H52O3	448.391645	NA	MeJP	NA	NA
+MJ065456	6-Heneicosyl-1,2,4-benzenetriol; 2,4-Di-Me ether 	C29H52O3	448.391645	NA	MeJP	NA	NA
+MJ065457	Stigmastane-3,5,6-triol 	C29H52O3	448.391645	NA	MeJP	NA	NA
+MJ065458	?-Tocopherolhydroquinone 	C29H52O3	448.391645	NA	MeJP	NA	NA
+MJ065459	19,23-Triacontadienoic acid 	C30H56O2	448.428031	NA	MeJP	NA	NA
+MJ065460	5,9-Triacontadienoic acid 	C30H56O2	448.428031	NA	MeJP	NA	NA
+MJ065461	9,23-Triacontadienoic acid 	C30H56O2	448.428031	NA	MeJP	NA	NA
+MJ065462	1-Cyclopentyl-4-hexacosanone 	C31H60O	448.464416	NA	MeJP	NA	NA
+MJ065463	7-Hentriaconten-16-one 	C31H60O	448.464416	NA	MeJP	NA	NA
+MJ065464	8-Methyl-3-hentriacontene 	C32H64	448.500802	NA	MeJP	NA	NA
+8160	ACE inhibitor from b-CN (202-209)	RGPFPIIV	448.765	MH2+	Inhouse_peptide	NA	peptide
+MJ065465	Iodoxyl 	C8H5I2NO5	448.825709	NA	MeJP	NA	NA
+MJ065466	Ormaplatin 	C6H14Cl4N2Pt	448.955883	NA	MeJP	NA	NA
+C08106	Cefoxitin sodium	C16H16N3O7S2	449.0327	NA	KEGG	NA	NA
+MJ065467	6-(Methylthio)hexyl glucosinolate 	C14H27NO9S3	449.084793	NA	MeJP	NA	NA
+C17250	Glucolesquerellin	C14H27NO9S3	449.0848	NA	KEGG	NA	NA
+C10983	Cyhalothrin	C23H19ClF3NO3	449.1006	NA	KEGG	NA	NA
+FL7AACGA0001	Idaein;Cyanidin 3-galactoside;Cyanidin 3-O-galactoside	C21H21O11	449.10838	27661-36-5	knapsack	NA	NA
+FL7AACGL0001	Cyanidin 3-O-glucoside;Chrysanthemin	C21H21O11	449.10838	7084-24-4	knapsack	NA	NA
+FL7AACGS0004	Cyanidin 4'-glucoside	C21H21O11	449.10838	802884-14-6	knapsack	NA	NA
+FL7AAGGS0002	Delphinidin 3-rhamnoside	C21H21O11	449.10838	29907-19-5	knapsack	NA	NA
+FL7AAHGS0001	Petunidin 3-arabinoside	C21H21O11	449.10838	28500-03-0	knapsack	NA	NA
+FL7AEAGL0002	6-Hydroxypelargonidin 3-glucoside	C21H21O11	449.10838	554450-51-0	knapsack	NA	NA
+MetaCyc03598	cyanidin-3-O-&beta;-D-glucoside [cyanidin-3-O-glucoside;]	C21H21O11	449.108387	NA	metacyc	NA	NA
+MetaCyc03599	cyanidin 5-O-&beta;-D-glucoside []	C21H21O11	449.108387	NA	metacyc	NA	NA
+C08604	Chrysanthemin	C21H21O11	449.1084	NA	KEGG	NA	NA
+C08647	Cyanidin 3-O-galactoside	C21H21O11	449.1084	NA	KEGG	NA	NA
+C16298	Cyanidin 5-O-glucoside	C21H21O11	449.1084	NA	KEGG	NA	NA
+MJ065468	N-[[5-[2-(2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-thienyl]carbonyl]glutamic acid 	C19H23N5O6S	449.136904	NA	MeJP	NA	NA
+PJ001658	SNDD 	C15H23N5O11	449.1394	NA	PeJP	NA	NA
+PJ001659	PCCQ 	C16H27N5O6S2	449.1403	NA	PeJP	NA	NA
+MJ065469	1-[2-Hydroxy-5-(1H-tetrazol-5-yl)phenyl]-3-[4-(2-quinolinylmethoxy)phenyl]-2-propen-1-one 	C26H19N5O3	449.148789	NA	MeJP	NA	NA
+MJ065470	2-Cyclopropyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]oxy]-4-quinolinecarboxylic acid 	C26H19N5O3	449.148789	NA	MeJP	NA	NA
+MJ065471	Trichanthin A 	C22H27NO7S	449.150822	NA	MeJP	NA	NA
+PJ001660	GNEM 	C16H27N5O8S	449.1581	NA	PeJP	NA	NA
+MJ065472	Oxetacillin; Methoxymethyl ester 	C21H27N3O6S	449.162056	NA	MeJP	NA	NA
+MJ065473	Lycorine, O1-?-D-Glucopyranoside 	C22H27NO9	449.168581	NA	MeJP	NA	NA
+PJ001661	GCDR 	C15H27N7O7S	449.1693	NA	PeJP	NA	NA
+MJ065474	Naamidine A; 14-Hydroxy 	C23H23N5O5	449.169918	NA	MeJP	NA	NA
+MJ065475	Glisoxepide 	C20H27N5O5S	449.173289	NA	MeJP	NA	NA
+PJ001662	NMW 	C20H27N5O5S	449.1733	NA	PeJP	NA	NA
+PJ001663	SSQE 	C16H27N5O10	449.1758	NA	PeJP	NA	NA
+PJ001664	PCCK 	C17H31N5O5S2	449.1767	NA	PeJP	NA	NA
+MJ065476	3-([3,3'-Bithiophen]-5-ylmethoxy)-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethylbenzenemethanamine 	C27H31NOS2	449.184705	NA	MeJP	NA	NA
+PJ001665	GSTW 	C20H27N5O7	449.1911	NA	PeJP	NA	NA
+MJ065477	Ciclotropium(1+), Bromide 	C24H36BrNO2	449.192942	NA	MeJP	NA	NA
+PJ001666	GDKM 	C17H31N5O7S	449.1944	NA	PeJP	NA	NA
+MJ065478	Utibaprilat; 1'-Et ester 	C22H31N3O5S	449.198441	NA	MeJP	NA	NA
+MJ065479	Anacrotine; (E)-Isomer, O6-angeloyl, N-oxide 	C23H31NO8	449.204966	NA	MeJP	NA	NA
+MJ065480	Belladine; O4'',N-Di-de-Me, O4''-?-D-glucopyranoside 	C23H31NO8	449.204966	NA	MeJP	NA	NA
+PJ001667	GSMR 	C16H31N7O6S	449.2057	NA	PeJP	NA	NA
+PJ001668	HFF 	C24H27N5O4	449.2063	NA	PeJP	NA	NA
+PJ001669	SSKE 	C17H31N5O9	449.2122	NA	PeJP	NA	NA
+MJ065481	Pretiadil 	C26H31N3O2S	449.213697	NA	MeJP	NA	NA
+MJ065482	Hetisan-1,2,9,15-tetrol, 2-Benzoyl 	C27H31NO5	449.220223	NA	MeJP	NA	NA
+MJ065483	Ignavine 	C27H31NO5	449.220223	NA	MeJP	NA	NA
+MJ065484	Paspalinine; 14?-Hydroxy 	C27H31NO5	449.220223	NA	MeJP	NA	NA
+MJ065485	Ryosenaminol; O2-Benzoyl, 7?-hydroxy 	C27H31NO5	449.220223	NA	MeJP	NA	NA
+PJ001670	SSTR 	C16H31N7O8	449.2234	NA	PeJP	NA	NA
+PJ001671	GVQF 	C21H31N5O6	449.2275	NA	PeJP	NA	NA
+PJ001672	ATKM 	C18H35N5O6S	449.2308	NA	PeJP	NA	NA
+MJ065486	Alkaloid LBZ; 22-Ketone 	C26H31N3O4	449.231456	NA	MeJP	NA	NA
+MJ065487	Cadabicine; Me ether 	C26H31N3O4	449.231456	NA	MeJP	NA	NA
+MJ065488	N-[3-[4-[[4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]acetamide 	C26H31N3O4	449.231456	NA	MeJP	NA	NA
+PJ001673	QFR 	C20H31N7O5	449.2387	NA	PeJP	NA	NA
+MJ065489	Bonvalol; 6-Ketone 	C24H35NO7	449.241352	NA	MeJP	NA	NA
+MJ065490	Caerunine 	C24H35NO7	449.241352	NA	MeJP	NA	NA
+MJ065491	Gadesine; 14-Ketone, 18-methoxy 	C24H35NO7	449.241352	NA	MeJP	NA	NA
+MJ065492	Monticamine; 9?-Hydroxy, O8-Ac 	C24H35NO7	449.241352	NA	MeJP	NA	NA
+MJ065493	Takaonine 	C24H35NO7	449.241352	NA	MeJP	NA	NA
+MJ065494	Vaginatine; 6,14-Diketone 	C24H35NO7	449.241352	NA	MeJP	NA	NA
+MJ065495	Mutamicin 1B 	C18H35N5O8	449.248563	NA	MeJP	NA	NA
+PJ001674	TTTK 	C18H35N5O8	449.2486	NA	PeJP	NA	NA
+MJ065496	N2-[[[5-[6-(Dimethylamino)-9H-purin-9-yl]pentyl]oxy]carbonyl]arginine 	C19H31N9O4	449.2499	NA	MeJP	NA	NA
+C11330	N-Acetyl-leu-leu-tyr	C23H35N3O6	449.2526	NA	KEGG	NA	NA
+MJ065497	18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione; 12-Hydroxy 	C28H35NO4	449.256608	NA	MeJP	NA	NA
+MJ065498	18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione; 6?,7?-Epoxide 	C28H35NO4	449.256608	NA	MeJP	NA	NA
+MJ065499	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Deoxy, 19,20-didehydro (E-) 	C28H35NO4	449.256608	NA	MeJP	NA	NA
+PJ001675	GVKF 	C22H35N5O5	449.2638	NA	PeJP	NA	NA
+MJ065500	Difluanazine 	C28H33F2N3	449.264254	NA	MeJP	NA	NA
+MJ065501	Tyrosylarginylisoleucinamide; L-L-L-form 	C21H35N7O4	449.275052	NA	MeJP	NA	NA
+PJ001676	KFR 	C21H35N7O4	449.2751	NA	PeJP	NA	NA
+C08671	Condelphine	C25H39NO6	449.2777	NA	KEGG	NA	NA
+C08682	Erythrophleguine	C25H39NO6	449.2777	NA	KEGG	NA	NA
+MJ065502	Bicolorine; O1,O8,O14-Tri-Me, N-de-Et, O6-Ac 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065503	Bicolorine; O8-Me, O6-Ac 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065504	Delpheline 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065505	Erythrophlamine 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065506	Erythrophleguine 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065507	Erythrosuamine 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065508	Karakoline; 12?-Hydroxy, O14-Me, O8-Ac 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065509	Norerythrostachaldine; O3-Ac 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065510	Nudicaulamine 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+MJ065511	Talatizamine; O1-De-Me, 14-Ac 	C25H39NO6	449.277737	NA	MeJP	NA	NA
+C00908	Gentamicin C1a	C19H39N5O7	449.2849	NA	KEGG	NA	NA
+MJ065512	Antibiotic Y 02077H?; N-De-Me 	C19H39N5O7	449.284948	NA	MeJP	NA	NA
+MJ065513	Gentamicin C; Gentamicin C2, 4''-Demethyl 	C19H39N5O7	449.284948	NA	MeJP	NA	NA
+MJ065514	Gentamicin C; Gentamicin C2b, 3''-N-De-Me 	C19H39N5O7	449.284948	NA	MeJP	NA	NA
+MetaCyc03600	gentamicin-C1a []	C19H39N5O7	449.284949	26098-04-4	metacyc	NA	NA
+MJ065515	Onapristone 	C29H39NO3	449.292994	NA	MeJP	NA	NA
+MJ065516	Severibuxine 	C29H39NO3	449.292994	NA	MeJP	NA	NA
+C04721	3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine	C26H43NO5	449.3141	NA	KEGG	NA	NA
+C05464	Glycodeoxycholate	C26H43NO5	449.3141	NA	KEGG	NA	NA
+C05466	Glycochenodeoxycholate	C26H43NO5	449.3141	NA	KEGG	NA	NA
+HMDB00631	Deoxycholic acid glycine conjugate	C26H43NO5	449.314117	NA	HMDB2010	NA	NA
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	449.314117	NA	HMDB2010	NA	NA
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	449.314117	NA	HMDB2010	NA	NA
+HMDB06898	Chenodeoxyglycocholic acid	C26H43NO5	449.314117	NA	HMDB2010	NA	NA
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00637	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00708	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00631	Deoxycholic acid glycine conjugate	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00631	HMDB	NA	NA
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00637	HMDB	NA	NA
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00708	HMDB	NA	NA
+HMDB06898	Chenodeoxyglycocholate	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB06898	HMDB	NA	NA
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	449.31412	NA  ;SYN:6-Amino-n-hexanoic acid; 6-Aminocaproic acid; 6-Aminohexanoate; 6-amino-Hexanoic acid; 6-aminohexanoic acid; Acepramin; Acepramine; Acikaprin; Afibrin; Amicar; Amikar; Aminokapron; Atsemin; Caplamin; Capracid; Capramol; Capranol; Caprocid; Caprolisin; Epsamon; Epsicapron; Epsikapron; Epsillon-Aminocaproic acid' Epsilcapramin; Epsilcapramine; Epsilon S; H-6-Ahx-OH; H-EAhx-OH; H-epsilon-Acp-OH; Hemocaprol; Hemopar; Hepin; Ipsilon; Respramin; e-Amino-n-hexanoic acid; e-Aminocaproate; e-Aminocaproic acid USP; e-Aminohexanoic acid; e-Leucine; e-Norleucine; epsilon-Aminocaproic acid; epsilon-Norleucine; epsilon-S; omega-Aminocaproic acid; omega-Aminohexanoic acid; w-Aminocaproic acid; w-Aminohexanoic acid; epsilon-Amino-n-hexanoic acid; epsilon-Aminocaproate; epsilon-Aminocaproic acid USP; epsilon-Aminohexanoic acid; epsilon-Leucine; 6-Amino-n-hexanoate; 6-Aminocaproate; 6-amino-Hexanoate; Epsillon-Aminocaproate; e-Amino-n-hexanoate; e-Aminocaproic acid; e-Aminohexanoate; omega-Aminocaproate; omega-Aminohexanoate; w-Aminocaproate; w-Aminohexanoate; epsilon-Amino-n-hexanoate; epsilon-Aminohexanoate; Epsillon-Aminocaproic acidH2Blood	Inhouse_peptide	NA	peptide
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	449.31412	Long chain acyl carnitines  ;SYN:H2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00637	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	449.31412	http://www.hmdb.ca/metabolites/HMDB00708	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00631	Deoxycholic acid glycine conjugate	C26H43NO5	449.31412	HMDB00631	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00637	Chenodeoxycholic acid glycine conjugate	C26H43NO5	449.31412	HMDB00637	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00708	Glycoursodeoxycholic acid	C26H43NO5	449.31412	HMDB00708	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06898	Chenodeoxyglycocholate	C26H43NO5	449.31412	HMDB06898	PFEM_hmdb_metabocards_official	NA	NA
+MJ065517	3,12-Dihydroxycholan-24-oic acid, Glycine amide 	C26H43NO5	449.314123	NA	MeJP	NA	NA
+MJ065518	3,6-Dihydroxycholan-24-oic acid, Glycine amide 	C26H43NO5	449.314123	NA	MeJP	NA	NA
+MJ065519	3,7-Dihydroxycholan-24-oic acid, Glycine amide 	C26H43NO5	449.314123	NA	MeJP	NA	NA
+MJ065520	Talatizamine; O8-Et 	C26H43NO5	449.314123	NA	MeJP	NA	NA
+MetaCyc03601	glycodeoxycholate [glycodeoxycholic acid;]	C26H43N1O5	449.314123	360-65-6	metacyc	NA	NA
+MetaCyc03602	glycochenodeoxycholate [glycochenodeoxycholic acid;]	C26H43N1O5	449.314123	640-79-9	metacyc	NA	NA
+CJneg0605	Chenodeoxyglycocholic acid [(M-H)]-	C26H42NO5	449.314625	C18rt(min)=8.86 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0605	Chenodeoxyglycocholic acid [(M-H)]-	C26H42NO5	449.314625	C18rt(min)=8.86 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ065521	Mycalazoles; Mycalazole 1 	C30H43NO2	449.329379	NA	MeJP	NA	NA
+7852	NA	YGGFMRGL	449.7097	MH2+	Inhouse_peptide	NA	peptide
+3415	ACE inhibitor	PANIKWGD	449.7184	MH2+	Inhouse_peptide	NA	peptide
+MJ065522	Eckol; 4'-Bromo 	C18H11BrO9	449.958644	NA	MeJP	NA	NA
+MJ065523	Magnesium citrate 	C12H10Mg3O14	449.96218	NA	MeJP	NA	NA
+MJ065524	1,8-Dihydroxy-3-(hydroxymethyl)-2,4,5,7-tetranitroanthraquinone 	C15H6N4O13	449.993136	NA	MeJP	NA	NA
+MJ065525	?-(1-Bromo-3-hexenyl)-5-(1-bromo-2-propynyl)tetrahydro-3-hydroxy-2-furanethanol; Ac 	C17H24Br2O4	450.004134	NA	MeJP	NA	NA
+MJ065526	Noprylsulfamide 	C15H18N2O8S3	450.022527	NA	MeJP	NA	NA
+MJ065527	Diethyl 4-[(4-bromo-2-cyanophenyl)carbamoyl]benzylphosphonate 	C19H20BrN2O4P	450.034406	NA	MeJP	NA	NA
+MJ065528	Clofibric acid; Magnesium salt (2:1) 	C20H20Cl2MgO6	450.048735	NA	MeJP	NA	NA
+MJ065529	Rhodocomatulin; 5,7-Di-Me ether, 2-sulfate 	C20H18O10S	450.062067	NA	MeJP	NA	NA
+MJ065530	5-[(3,5-Dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-1H-imidazole-2-methanol; Carbamoyl 	C20H20Cl2N4O2S	450.068402	NA	MeJP	NA	NA
+MJ065531	Oxysonium(1+), Iodide 	C18H27IO3S	450.072558	NA	MeJP	NA	NA
+FL5FACGS0063	Quercetin 4'-galactoside	C20H18O12	450.07982	-	knapsack	NA	NA
+FL5FAGGS0001	Myricetin 3-alpha-L-arabinofuranoside	C20H18O12	450.07982	35589-22-1	knapsack	NA	NA
+FL5FAGGS0002	Myricetin 3-alpha-L-arabinopyranoside	C20H18O12	450.07982	132679-85-7<BR>38888-65-2	knapsack	NA	NA
+FL5FAGGS0003	Myricetin 3-xyloside	C20H18O12	450.07982	102849-44-5	knapsack	NA	NA
+FL5FAGGS0007	Myricetin 3'-xyloside	C20H18O12	450.07982	75979-33-8	knapsack	NA	NA
+MJ065532	2,3,4-Trihydroxybutanoic acid, 4-O-(3,4-Dihydroxy-E-cinnamoyl)2-O-(3,4,5-trihydroxybenzoyl) 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065533	3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-?-D-Xylopyranoside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065534	3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-L-Arabinoside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065535	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-Arabinoside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065536	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-D-Xyloside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065537	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Arabinofuranoside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065538	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Arabinopyranoside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+MJ065539	3,3',4',5,5',7-Hexahydroxyflavone; 7-O-Arabinoside 	C20H18O12	450.079826	NA	MeJP	NA	NA
+C10593	Exserohilone	C20H22N2O6S2	450.0919	NA	KEGG	NA	NA
+MJ065540	Epoxyexserohilone 	C20H22N2O6S2	450.091927	NA	MeJP	NA	NA
+MJ065541	Exserohilone 	C20H22N2O6S2	450.091927	NA	MeJP	NA	NA
+MJ065542	5-(2-p-Coumaroyl)maesopsin 	C24H18O9	450.095082	NA	MeJP	NA	NA
+MJ065543	6-[[3-(2,4-Dihydroxy-6-methylbenzoyl)-4,5,7-trihydroxy-2-naphthalenyl]methyl]-4-hydroxy-2H-pyran-2-one 	C24H18O9	450.095082	NA	MeJP	NA	NA
+MJ065544	7-(2-p-Coumaroyl)maesopsin 	C24H18O9	450.095082	NA	MeJP	NA	NA
+MJ065545	Palmarumycin C15; 3-Ketone, di-Ac 	C24H18O9	450.095082	NA	MeJP	NA	NA
+MJ065546	3-Chloro-8,9,14-trihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Tigloyl, 14-Ac 	C22H23ClO8	450.108145	NA	MeJP	NA	NA
+MJ065547	3-Chloro-8,9-dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl) 	C22H23ClO8	450.108145	NA	MeJP	NA	NA
+MJ065548	2,2',3,3',7,7'-Hexahydroxy-1,1'-biphenanthrene 	C28H18O6	450.110338	NA	MeJP	NA	NA
+C09803	Neoastilbin	C21H22O11	450.1162	NA	KEGG	NA	NA
+C16408	2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside	C21H22O11	450.1162	NA	KEGG	NA	NA
+C17449	Astilbin	C21H22O11	450.1162	NA	KEGG	NA	NA
+C17675	Neocarthamin	C21H22O11	450.1162	NA	KEGG	NA	NA
+FL1BAAGS0001	Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside	C21H22O11	450.11621	210050-28-5	knapsack	NA	NA
+FL1BAAGS0002	2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 6-beta-D-glucopyranoside;Maesopsin 6-beta-D-glucopyranoside	C21H22O11	450.11621	196102-61-1	knapsack	NA	NA
+FL1C2CGS0001	Stillopsin	C21H22O11	450.11621	72241-26-0	knapsack	NA	NA
+FL1C3CGS0001	Okanin 3'-glucoside	C21H22O11	450.11621	115070-76-3	knapsack	NA	NA
+FL1C3CGS0002	Marein	C21H22O11	450.11621	535-96-6	knapsack	NA	NA
+FL1CACGS0001	3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside	C21H22O11	450.11621	20126-63-0	knapsack	NA	NA
+FL1CACGS0002	3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside	C21H22O11	450.11621	123537-97-3	knapsack	NA	NA
+FL2F3CGS0001	Isookaninglucoside	C21H22O11	450.11621	577-38-8	knapsack	NA	NA
+FL2FA8GS0004	5,7,2',5'-Tetrahydroxyflavanone 7-glucoside;Coccinoside B	C21H22O11	450.11621	146555-77-3	knapsack	NA	NA
+FL2FACCS0001	8-C-Glucopyranosyleriodictylol	C21H22O11	450.11621	153733-96-1	knapsack	NA	NA
+FL2FACGS0003	Eriodictyol 5-O-glucoside	C21H22O11	450.11621	103617-12-5	knapsack	NA	NA
+FL2FACGS0004	Eriodictyol 7-O-glucoside	C21H22O11	450.11621	38965-51-4	knapsack	NA	NA
+FL2FACGS0006	Eriodictyol 3'-O-glucoside	C21H22O11	450.11621	69284-90-8	knapsack	NA	NA
+FL2FACGS0012	(2R)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside	C21H22O11	450.11621	308850-46-6	knapsack	NA	NA
+FL2FACGS0013	(2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside	C21H22O11	450.11621	118040-45-2	knapsack	NA	NA
+FL2FALGS0001	Stepposide	C21H22O11	450.11621	20194-60-9	knapsack	NA	NA
+FL2FALGS0002	Steppogenin 4'-O-beta-D-glucoside;5,7,2',4'-Tetrahydroxyflavanone 4'-glucoside	C21H22O11	450.11621	247031-40-9	knapsack	NA	NA
+FL2FEAGS0001	Carthamidin 5-glucoside	C21H22O11	450.11621	519-39-1	knapsack	NA	NA
+FL2FFAGS0002	Isocarthamidin 8-glucoside;5,7,8,4'-Tetrahydroxyflavanone 8-glucoside	C21H22O11	450.11621	164920-57-4	knapsack	NA	NA
+FL2FHYGS0001	2,5,7,4'-Tetrahydroxyflavanone 7-glucoside	C21H22O11	450.11621	303049-59-4	knapsack	NA	NA
+FL4D1CGS0001	Fustin 3-glucoside	C21H22O11	450.11621	19209-39-9	knapsack	NA	NA
+FL4DA8GS0001	3,5,7,2',5'-Pentahydroxyflavanone 3-rhamnoside	C21H22O11	450.11621	157072-27-0	knapsack	NA	NA
+FL4DA9GS0002	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside	C21H22O11	450.11621	677274-17-8	knapsack	NA	NA
+FL4DA9GS0003	Smitilbin;(2R,3S)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside	C21H22O11	450.11621	222846-33-5	knapsack	NA	NA
+FL4DA9GS0004	Neosmitilbin;(2S,3S)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside	C21H22O11	450.11621	452962-93-5	knapsack	NA	NA
+FL4DAACS0001	6-C-Glucopyranosyldihydrokaempferol;Aromadendrin 6-C-glucoside;(2R,3R)-6-beta-D-Glucopyranosyl-2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H22O11	450.11621	112494-34-5	knapsack	NA	NA
+FL4DAACS0002	8-C-Glucosyldihydrokaempferol	C21H22O11	450.11621	364353-6	knapsack	NA	NA
+FL4DAAGS0002	Aromadendrin 3-galactoside	C21H22O11	450.11621	122170-66-5	knapsack	NA	NA
+FL4DAAGS0003	Aromadendrin 3-glucoside	C21H22O11	450.11621	31049-08-8	knapsack	NA	NA
+FL4DAAGS0006	Sinensin	C21H22O11	450.11621	28189-90-4	knapsack	NA	NA
+FL4DAAGS0009	Aromadendrin 4'-glucoside	C21H22O11	450.11621	87314-52-1	knapsack	NA	NA
+FL4DACGS0011	Astilbin	C21H22O11	450.11621	29838-67-3	knapsack	NA	NA
+FL4DACGS0012	Isoastibin	C21H22O11	450.11621	54081-48-0	knapsack	NA	NA
+FL4DACGS0013	Neoisoastilbin	C21H22O11	450.11621	54141-72-9	knapsack	NA	NA
+FL4DACGS0014	Neoastilbin	C21H22O11	450.11621	54081-47-9	knapsack	NA	NA
+FL4DACGS0018	Taxifolin 7-rhamnoside	C21H22O11	450.11621	137592-12-2	knapsack	NA	NA
+FL4DBCGS0001	Dihydrorhamnetin 3-O-beta-D-arabinopyranoside	C21H22O11	450.11621	214839-45-9	knapsack	NA	NA
+FLIBALCS0001	Macrocarposide	C21H22O11	450.11621	105798-86-5	knapsack	NA	NA
+MJ065549	1,2,3,7-Tetrahydroxyxanthone; 2,7-Di-Me ether, 3-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065550	1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether, 8-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065551	1,2,6,8-Tetrahydroxyxanthone; 2,6-Di-Me ether, 8-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065552	1,2,6,8-Tetrahydroxyxanthone; 2,8-Di-Me ether, 6-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065553	1,3,4,5-Tetrahydroxyxanthone; 4,5-Di-Me ether, 1-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065554	1,3,4,5-Tetrahydroxyxanthone; 4,5-Di-Me ether, 3-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065555	1,3,4,7-Tetrahydroxyxanthone; 3,4-Di-Me ether, 7-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065556	1,3,4,7-Tetrahydroxyxanthone; 4,7-Di-Me ether, 3-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065557	1,3,5,8-Tetrahydroxyxanthone; 3,5-Di-Me ether, 1-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065558	1,3,5,8-Tetrahydroxyxanthone; 3,5-Di-Me ether, 8-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065559	1,3,5,8-Tetrahydroxyxanthone; 5,8-Di-Me ether, 1-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065560	2',3,3',4,4'-Pentahydroxychalcone, 3'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065561	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065562	2',3,4,4',5'-Pentahydroxychalcone; 4'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065563	2',3,4,4',6'-Pentahydroxychalcone; 2'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065564	2',3,5,5',7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065565	2',4',5,7-Tetrahydroxyflavanone, 4'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065566	2',4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065567	2',4',5,7-Tetrahydroxyisoflavanone; 4'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065568	2',5,5',7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065569	2,4',5,7-Tetrahydroxyflavanone; 7-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065570	3',4',5,7-Tetrahydroxyflavanone, 3'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065571	3',4',5,7-Tetrahydroxyflavanone, 5-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065572	3',4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065573	3',4',7,8-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065574	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065575	3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 3-O-?-D-arabinopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065576	3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-L-Rhamnopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065577	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065578	3,3',4',7-Tetrahydroxyflavanone, 3-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065579	3,3',5,5',7-Pentahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065580	3,4',5,7-Tetrahydroxyflavanone, 3-O-?-D-Galactopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065581	3,4',5,7-Tetrahydroxyflavanone, 3-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065582	3,4',5,7-Tetrahydroxyflavanone, 4'-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065583	3,4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065584	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065585	4',5,6,7-Tetrahydroxyflavanone, 5-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065586	4',5,7,8-Tetrahydroxyflavanone, 8-O-?-D-Glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065587	6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavanone 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065588	6-Glucosyl-3',4',5,7-tetrahydroxyflavanone 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065589	8-Glucosyl-3',4',5,7-tetrahydroxyflavanone 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065590	Alphitonin; 3'-Deoxy, 4-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065591	Alphitonin; 3'-Deoxy, 6-O-?-D-glucopyranoside 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065592	Glucose; ?-D-Pyranose-form, 2-O-(4-Hydroxybenzoyl), 1-O-(4-hydroxy-3-methoxybenzoyl) 	C21H22O11	450.116211	NA	MeJP	NA	NA
+MJ065593	Macrocarposide 	C21H22O11	450.116211	NA	MeJP	NA	NA
+PJ001677	SDDD 	C15H22N4O12	450.1234	NA	PeJP	NA	NA
+PJ001678	PCCE 	C16H26N4O7S2	450.1243	NA	PeJP	NA	NA
+FL3FA9ND0002	Tephrodin;(8aR,11aR)-rel-(-)-11a-(Acetyloxy)-8a,11a-dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione	C25H22O8	450.13146	35820-35-0	knapsack	NA	NA
+MJ065594	Tephrodin 	C25H22O8	450.131467	NA	MeJP	NA	NA
+MJ065595	Vaginidiol; 3'-O-(4-Hydroxycinnamoyl), 1''-O-Ac 	C25H22O8	450.131467	NA	MeJP	NA	NA
+MJ065596	Nyctanthoside; 10-Carboxylic acid, Me ester 	C18H26O13	450.13734	NA	MeJP	NA	NA
+MJ065597	Nikkomycin Wx 	C19H22N4O9	450.138678	NA	MeJP	NA	NA
+MJ065598	Nikkomycin Wz 	C19H22N4O9	450.138678	NA	MeJP	NA	NA
+PJ001679	GDEM 	C16H26N4O9S	450.1421	NA	PeJP	NA	NA
+MJ065599	7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(3-chloro-4,6-dihydroxy-2-methylbenzoyl) 	C23H27ClO7	450.14453	NA	MeJP	NA	NA
+MJ065600	Stenosporic acid; 3-Chloro 	C23H27ClO7	450.14453	NA	MeJP	NA	NA
+FL1DABGS0001	4-Methoxyphlorizin;2',4',6'-Trihydroxy-4-methoxydihydrochalcone 2'-O-glucoside	C22H26O10	450.15259	4369-35-1	knapsack	NA	NA
+FL1DCAGS0001	Asebotin	C22H26O10	450.15259	11075-15-3	knapsack	NA	NA
+FL6F1GGS0001	Auriculoside	C22H26O10	450.15259	75871-96-4	knapsack	NA	NA
+MJ065601	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 2?,3?-Epoxide, 8-(3-methyl-2-butenoyl), 13-Ac 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065602	3',4',5',7-Tetrahydroxyflavan; 4'-Me ether, 5'-O-?-D-glucopyranoside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065603	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4'-Me ether, 2'-O-?-D-glucopyranoside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065604	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4-Me ether, 2'-O-?-D-glucopyranoside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065605	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylpropanoyl), 9-Ac, Me ester 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065606	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 9-(2,3-Epoxy-2-methylpropanoyl), 8-Ac, Me ester 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065607	4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-[6-O-(4-Hydroxyphenylacetyl)-?-D-glucopyranoside] 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065608	Aloesaponol IV; 4-Epimer, 4-O-?-D-glucopyranoside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065609	Aloesaponol IV; 8-O-?-D-Glucopyranoside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065610	Aucubigenin; 1-O-(2-O-Benzoyl-?-D-glucopyranoside) 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065611	Melampyroside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065612	Ptaerochromenol; 5-Me ether, 1'-O-?-D-glucopyranoside 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065613	Salicin; O-(3,4-Dimethoxybenzoyl) 	C22H26O10	450.152597	NA	MeJP	NA	NA
+MJ065614	Trifochalcanoloside I 	C22H26O10	450.152597	NA	MeJP	NA	NA
+C09478	Auriculoside	C22H26O10	450.1526	NA	KEGG	NA	NA
+PJ001680	SCNQ 	C15H26N6O8S	450.1533	NA	PeJP	NA	NA
+MJ065615	Galactose, Dibenzyl dithioacetal, 4,5-O-isopropylidene 	C23H30O5S2	450.153465	NA	MeJP	NA	NA
+PJ001681	DMW 	C20H26N4O6S	450.1573	NA	PeJP	NA	NA
+PJ001682	SSEE 	C16H26N4O11	450.1598	NA	PeJP	NA	NA
+PJ001683	PTCM 	C17H30N4O6S2	450.1607	NA	PeJP	NA	NA
+MJ065616	Dehexylantimycin; Dehexylantimycin A2 	C21H26N2O9	450.16383	NA	MeJP	NA	NA
+FL3FALNR0001	Dihydrocycloartomunin	C26H26O7	450.16785	135023-16-4	knapsack	NA	NA
+FL3FALNR0005	Cycloaltilisin;(+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C26H26O7	450.16785	152130-62-6	knapsack	NA	NA
+FL3FALNR0008	Dihydroisocycloartomunin;3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C26H26O7	450.16785	145643-97-6	knapsack	NA	NA
+FL3FRNNF0005	Artonin T;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one	C26H26O7	450.16785	161017-03-4	knapsack	NA	NA
+FL5FDCNP0002	Broussoflavonol A;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one	C26H26O7	450.16785	99217-69-3	knapsack	NA	NA
+FLIAALNI0020	Euchrenone b5;5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone	C26H26O7	450.16785	121795-47-9	knapsack	NA	NA
+FLIAALNP0001	Cajaisoflavone	C26H26O7	450.16785	72578-99-5	knapsack	NA	NA
+FLIG1LNI0006	8-Dimethylallyllisetin;8-Prenyllisetin	C26H26O7	450.16785	126513-21-1	knapsack	NA	NA
+MJ065617	2',4',5,5',7-Pentahydroxy-6,8-diprenylisoflavone; 4',5'-Methylene ether 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065618	8-Prenyllisetin 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065619	Artonin J; 7-Me ether 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065620	Bletilol B; 5'-Methoxy, O-de-Ac 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065621	Bletilol C; 5'-Methoxy, O-de-Ac 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065622	Broussoflavonol A 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065623	Cajaisoflavone 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065624	Cyclomulberrin; 5'-Hydroxy, 4'-Me ether 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065625	Cyclomulberrin; 5'-Methoxy 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065626	Dihydrocycloartomunin 	C26H26O7	450.167853	NA	MeJP	NA	NA
+MJ065627	Shanciol; 5'-Methoxy 	C26H26O7	450.167853	NA	MeJP	NA	NA
+C15080	4-Benzyloxy-2'-hydroxy-3',4',5',6'-tetramethoxychalcone	C26H26O7	450.1679	NA	KEGG	NA	NA
+MJ065628	Picrasidine A 	C27H22N4O3	450.16919	NA	MeJP	NA	NA
+PJ001684	GSSSN 	C15H26N6O10	450.1711	NA	PeJP	NA	NA
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR520	Dehydroepiandrosterone sulphate F2	NA	450.173825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR520	Dehydroepiandrosterone sulphate F2	NA	450.173825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR520	Dehydroepiandrosterone sulphate F2	NA	450.173825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR520	Dehydroepiandrosterone sulphate F2	NA	450.173825	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR520	Dehydroepiandrosterone sulphate F2	F2	450.173825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ001685	GPDY 	C20H26N4O8	450.1751	NA	PeJP	NA	NA
+MJ065629	3-(Acetyloxy)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-1-[2-(methylamino)ethyl]-6-(trifluoromethyl)-2H-1-benzazepin-2-one 	C23H25F3N2O4	450.176641	NA	MeJP	NA	NA
+PJ001686	ATEM 	C17H30N4O8S	450.1785	NA	PeJP	NA	NA
+MJ065630	Cliviahaksine; O-(2,6-Dimethyl-3-pyridinecarbonyl) 	C25H26N2O6	450.179086	NA	MeJP	NA	NA
+MJ065631	6-Protoilludene-5,8,14-triol, 5-O-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H31ClO6	450.180916	NA	MeJP	NA	NA
+C13679	Bis(3-azidopyridinium)-1,10-decane perchlorate	C20H28N8	450.1814	NA	KEGG	NA	NA
+MJ065632	3',4',5,7-Tetrahydroxyflavone; 7-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C30H26O4	450.183109	NA	MeJP	NA	NA
+MJ065633	Tectol 	C30H26O4	450.183109	NA	MeJP	NA	NA
+PJ001687	GNNF 	C19H26N6O7	450.1863	NA	PeJP	NA	NA
+MJ065634	Timobesone; 17-Ac 	C24H31FO5S	450.187622	NA	MeJP	NA	NA
+MJ065635	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropenoyl), 1,9-di-Ac 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065636	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Et ether, 8-(methylpropenoyl), 13-Ac 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065637	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropanoyl), 2,9-di-Ac 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065638	4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), di-Ac 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065639	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylbutanoyl), 9-Ac, Me ester 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065640	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2-Methylbutanoyl), 8-Ac, Me ester 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065641	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, O-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), Me ester 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065642	Cluytene B 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065643	Coleon Y; 3-De-Ac, 3-formyl 	C23H30O9	450.188982	NA	MeJP	NA	NA
+MJ065644	Bentipimine 	C27H31ClN2S	450.189647	NA	MeJP	NA	NA
+PJ001688	SCNK 	C16H30N6O7S	450.1897	NA	PeJP	NA	NA
+MJ065645	Tiomesterone 	C24H34O4S2	450.18985	NA	MeJP	NA	NA
+MJ065646	Flutroline 	C27H25F3N2O	450.191898	NA	MeJP	NA	NA
+C00353	Geranylgeranyl diphosphate	C20H36O7P2	450.1936	NA	KEGG	NA	NA
+C06089	ent-Copalyl diphosphate	C20H36O7P2	450.1936	NA	KEGG	NA	NA
+C11356	trans,trans,cis-Geranylgeranyl diphosphate	C20H36O7P2	450.1936	NA	KEGG	NA	NA
+C11901	Copalyl diphosphate	C20H36O7P2	450.1936	NA	KEGG	NA	NA
+C11902	9alpha-Copalyl diphosphate	C20H36O7P2	450.1936	NA	KEGG	NA	NA
+MJ065647	Copalyl diphosphate 	C20H36O7P2	450.193626	NA	MeJP	NA	NA
+MJ065648	Geranylgeranyl diphosphate 	C20H36O7P2	450.193626	NA	MeJP	NA	NA
+MetaCyc03603	geranylgeranyl diphosphate [all-trans-geranyl-geranyl-pp;geranylgeranyl-PP;GGPP;]	C20H36O7P2	450.193627	NA	metacyc	NA	NA
+MetaCyc03604	(+)-copalyl-diphosphate []	C20H36O7P2	450.193627	NA	metacyc	NA	NA
+MetaCyc03605	ent-copalyl diphosphate [ent-CPP;CPP;CDP;]	C20H36O7P2	450.193627	NA	metacyc	NA	NA
+MetaCyc03606	syn-copalyl diphosphate [syn-CDP;]	C20H36O7P2	450.193627	NA	metacyc	NA	NA
+HMDB01285	Geranyl-PP	C20H36O7P2	450.19363	http://www.hmdb.ca/metabolites/HMDB01285	HMDB	NA	NA
+HMDB04486	trans,trans,cis-Geranylgeranyl diphosphate	C20H36O7P2	450.19363	http://www.hmdb.ca/metabolites/HMDB04486	HMDB	NA	NA
+HMDB01285	Geranyl-PP	C20H36O7P2	450.19363	HMDB01285	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04486	trans,trans,cis-Geranylgeranyl diphosphate	C20H36O7P2	450.19363	HMDB04486	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04486	Geranylgeranyl-PP	C20H36O7P2	450.193634	NA	HMDB2010	NA	NA
+C14127	Acotiamide	C21H30N4O5S	450.1937	NA	KEGG	NA	NA
+PJ001689	GPMF 	C21H30N4O5S	450.1937	NA	PeJP	NA	NA
+PJ001690	TTTE 	C17H30N4O10	450.1962	NA	PeJP	NA	NA
+PJ001691	GLMM 	C18H34N4O5S2	450.1971	NA	PeJP	NA	NA
+PJ001692	GTHH 	C18H26N8O6	450.1976	NA	PeJP	NA	NA
+MJ065649	Rhizocticin; Rhizocticin B 	C16H31N6O7P	450.199183	NA	MeJP	NA	NA
+C17940	Rhizocticin B	C16H31N6O7P	450.1992	NA	KEGG	NA	NA
+MJ065650	Urauchimycin A 	C22H30N2O8	450.200215	NA	MeJP	NA	NA
+MJ065651	Urauchimycin B 	C22H30N2O8	450.200215	NA	MeJP	NA	NA
+MJ065652	Desalicetin; 2'-Ac 	C19H34N2O8S	450.203586	NA	MeJP	NA	NA
+FLIADCNI0001	Glabrescione B;5,7-Dimethoxy-3',4'-diprenyloxyisoflavone	C27H30O6	450.20423	65893-94-9	knapsack	NA	NA
+MJ065653	11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(3,4-Dihydroxybenzoyl) 	C27H30O6	450.204238	NA	MeJP	NA	NA
+MJ065654	2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 2-(3,4-Dihydroxybenzoyl) 	C27H30O6	450.204238	NA	MeJP	NA	NA
+MJ065655	2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 3',4'-Di-Me ether 	C27H30O6	450.204238	NA	MeJP	NA	NA
+MJ065656	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Bis(3-methyl-2-butenyl), 5,7-di-Me ether 	C27H30O6	450.204238	NA	MeJP	NA	NA
+MJ065657	Sofalcone 	C27H30O6	450.204238	NA	MeJP	NA	NA
+MJ065658	Tolpadol 	C28H26N4O2	450.205576	NA	MeJP	NA	NA
+PJ001693	APTY 	C21H30N4O7	450.2115	NA	PeJP	NA	NA
+C02828	D-Phe-Pro-Arg-CH2Cl	C21H31ClN6O3	450.2146	NA	KEGG	NA	NA
+C02830	Dipeptide (Xaa-Pro)	C7H11N2O3R	450.2146	NA	KEGG	NA	NA
+C02834	Heparin-glucosamine	C7H11N2O3R	450.2146	NA	KEGG	NA	NA
+PJ001694	STLM 	C18H34N4O7S	450.2148	NA	PeJP	NA	NA
+MJ065659	Antibiotic SF 2415A2 	C26H30N2O5	450.215472	NA	MeJP	NA	NA
+2609	synthetic peptide inhibitors of (PEP)	IYPVPEPS	450.2225	MH2+	Inhouse_peptide	NA	peptide
+PJ001695	EFR 	C20H30N6O6	450.2227	NA	PeJP	NA	NA
+MJ065660	1,2,5,12-Tetrahydroxy-13(15)-cassen-16,12-olide, 1,2-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065661	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 9-Angeloyl, 6-(methylpropanoyl) 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065662	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 9-Tigloyl, 6-(methylpropanoyl) 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065663	1,5,6,7,14-Vouacapanepentol, 6,7-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065664	1,7,11,13,14-Pentahydroxy-16-kauren-15-one, 1,11-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065665	11(15?1)-Abeo-2,5,9,10,15-pentahydroxy-4(20),11-taxadien-13-one, 2,9-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065666	15,16-Epoxy-3,6,9,19-tetrahydroxy-13(16),14-labdadien-7-one, 3,19-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065667	15,16-Epoxy-3,6,9,19-tetrahydroxy-13(16),14-labdadien-7-one, 6-Ketone, 7?-alcohol, 3,19-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065668	15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 6,7-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065669	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 3,6-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065670	16-Kaurene-1,3,6,7,11,15-hexol, 6-Ketone, 1,7-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065671	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,7-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065672	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,7-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065673	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,13-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065674	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,7-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065675	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 7,13-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065676	2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 10,13-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065677	2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,10-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065678	2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 2,14-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065679	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',4,4',5,5'-Hexa-Me ether 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065680	3,7,12,14,18-Pentahydroxy-16-kauren-15-one, 3,18-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065681	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 2,10-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065682	4,18:11,16:15,16-Triepoxy-14-clerodene-3,6,19-triol, 6,19-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065683	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 3,19-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065684	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 12,19-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065685	4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19,20-tetrol, 6,19-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065686	4,7-Epoxy-2,3,14-trihydroxy-1(15),11-cembradien-16,14-olide, 2,3-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065687	5,7,9,13,14-Pentahydroxy-4(20),11-taxadien-10-one, 7,9-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065688	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(3-Methyl-2-butenoyl), 6-(2-methylpropanoyl) 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065689	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(2-methylpropanoyl) 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065690	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-Tigloyl, 6-(2-methylpropanoyl) 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065691	7,20-Epoxy-16-kaurene-1,3,6,7,15-pentol, 6,15-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065692	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065693	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 6,11-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065694	7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol, 1,6-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065695	7,20-Epoxy-16-kaurene-6,7,14,15-tetrol, 16?,17-Epoxide, 6,14-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065696	7,8,16,18-Tetrahydroxy-19-serrulatanoic acid; 16,18-Di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065697	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 10,11-di-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065698	Chromodorolide A 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065699	Luminacin; Luminacin B1 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065700	Luminacin; Luminacin C1, Demethoxy 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065701	Nigakilactone N; 12-Me ether, 11-Ac 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065702	Preleosibirin 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065703	Secoexsertifolin A 	C24H34O8	450.225368	NA	MeJP	NA	NA
+MJ065704	Shahamin F; 12?-Acetoxy, 1?-hydroxy 	C24H34O8	450.225368	NA	MeJP	NA	NA
+C17030	Nigakilactone E	C24H34O8	450.2254	NA	KEGG	NA	NA
+PJ001696	VFW 	C25H30N4O4	450.2267	NA	PeJP	NA	NA
+MJ065705	21,24-Epoxy-12-hydroxy-1-oxowitha-2,5,25(27)-trienolide, 12-Ketone 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065706	25(9?8)-Abeo-2,3,22-trihydroxy-24,29-dinor-21-oxo-1,3,5(10),6,9(11)-freidelapentaen-23-al; 22?-form 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065707	30(20?21)-Abeo-3,21-dihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,20,22-trione; 21?-form 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065708	8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 7-(Phenylacetyl) 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065709	Encecanescin 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065710	Nimbocinol; 17-Epimer, 7-Ac 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065711	Nimbocinol; Ac 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065712	Salpichrolide A 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065713	Salpichrolide H; 24-Deoxy, 23,24-didehydro 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065714	Tingenin A; 22-Oxo, 20?-hydroxy 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065715	Tingenin A; 22-Oxo, 20?-hydroxy 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065716	Wightianone 	C28H34O5	450.240624	NA	MeJP	NA	NA
+MJ065717	Suvanine 	C25H38O5S	450.243995	NA	MeJP	NA	NA
+MJ065718	1,4,6,11,14-Eudesmanepentol, 6-O-?-D-Glucopyranoside 	C21H38O10	450.246497	NA	MeJP	NA	NA
+MJ065719	Ornonin 	C21H38O10	450.246497	NA	MeJP	NA	NA
+MJ065720	Ornose 	C21H38O10	450.246497	NA	MeJP	NA	NA
+MJ065721	Royleose 	C21H38O10	450.246497	NA	MeJP	NA	NA
+PJ001697	GVLY 	C22H34N4O6	450.2479	NA	PeJP	NA	NA
+7649	ACE inhibitor from red algae	LRY	450.248	antioxidative	Inhouse_peptide	NA	peptide
+7821	ACE inhibitor from rapeseed	RIY	450.248	antithrombotic	Inhouse_peptide	NA	peptide
+MJ065722	Vanoxerine 	C28H32F2N2O	450.24827	NA	MeJP	NA	NA
+MJ065723	9-Demethylpsychotrine 	C27H34N2O4	450.251857	NA	MeJP	NA	NA
+MJ065724	Hippospongin C 	C27H34N2O4	450.251857	NA	MeJP	NA	NA
+PJ001698	LRY 	C21H34N6O5	450.2591	NA	PeJP	NA	NA
+MJ065725	1,10:4,5-Diepoxy-6,11-germacranediol, 6-(2-Methyl-2-butenoyl), 14-(2-methyl-2-butenoyloxy) 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065726	12,15,16-Trihydroxy-18-nor-13-cleroden-4-one, Tri-Ac 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065727	15,17-Epoxy-15,17-dihydroxy-16-isocopalanoic acid, Di-Ac, Me ester 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065728	15-Hydroxy-16-kauren-19-oic acid, 15-O-?-L-Arabinopyranoside 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065729	4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl) 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065730	4,6,18,19-Tetrahydroxy-13-cleroden-15,16-olide, 19-Tigloyl 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065731	4,6,8,10-Tetrahydroxy-9-daucanone, 6,10-Diangeloyl 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065732	5,8,9-Daucanetriol, 9-(2,4,5-Trimethoxybenzoyl) 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065733	6,7-Dihydroxy-15,17-isocopalanolid-16-oic acid, 6-Butanoyl, Me ester 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065734	8-Daucene-2,4,6,10-tetrol, 8,9-Epoxide, 2,6-diangeloyl 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065735	9,12,16,17-Tetrahydroxy-18-kauranoic acid, 17-Angeloyl 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065736	9,12,16,17-Tetrahydroxy-18-kauranoic acid, 17-Tigloyl 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065737	Polyrhaphin B 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065738	Pregn-5-ene-3,11,12,14,20-pentol, 11,12-Di-Ac 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065739	Trichoharzin 	C25H38O7	450.261753	NA	MeJP	NA	NA
+MJ065740	Trunculin D; Me ester 	C25H38O7	450.261753	NA	MeJP	NA	NA
+C09697	Laserpitin	C25H38O7	450.2618	NA	KEGG	NA	NA
+MJ065741	Antibiotic SU; Antibiotic SU2 	C19H38N4O8	450.268964	NA	MeJP	NA	NA
+MJ065742	Antibiotic UAA3 	C19H38N4O8	450.268964	NA	MeJP	NA	NA
+MJ065743	Gentamicin B; 3',4'-Dideoxy 	C19H38N4O8	450.268964	NA	MeJP	NA	NA
+HMDB02385	Celastrol	C29H38O4	450.277008	NA	HMDB2010	NA	NA
+MJ065744	15-Beyerene-3,17,19-triol, 17-Cinnamoyl 	C29H38O4	450.277009	NA	MeJP	NA	NA
+MJ065745	15-Hydroxy-1(10),13-halimadien-18-oic acid, (E)-Cinnamoyl 	C29H38O4	450.277009	NA	MeJP	NA	NA
+MJ065746	15-Hydroxy-1(10),13-halimadien-18-oic acid, (Z)-Cinnamoyl 	C29H38O4	450.277009	NA	MeJP	NA	NA
+MJ065747	18-Hydroxy-7,13-labdadien-15-oic acid, O-Cinnamoyl 	C29H38O4	450.277009	NA	MeJP	NA	NA
+MJ065748	2,3-Dihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 3-Me ether 	C29H38O4	450.277009	NA	MeJP	NA	NA
+MJ065749	Celastrol 	C29H38O4	450.277009	NA	MeJP	NA	NA
+MJ065750	Triptolactone 	C29H38O4	450.277009	NA	MeJP	NA	NA
+HMDB02385	Celastrol	C29H38O4	450.27701	http://www.hmdb.ca/metabolites/HMDB02385	HMDB	NA	NA
+HMDB02385	Celastrol	C29H38O4	450.27701	HMDB02385	PFEM_hmdb_metabocards_official	NA	NA
+C09250	Usambarine	C30H34N4	450.2783	NA	KEGG	NA	NA
+MJ065751	Usambarine 	C30H34N4	450.278347	NA	MeJP	NA	NA
+MJ065752	Seldomycin 5 	C18H38N6O7	450.280197	NA	MeJP	NA	NA
+MJ065753	Eurystatin; Eurystatin D 	C23H38N4O5	450.28422	NA	MeJP	NA	NA
+MJ065754	Eurystatin; Eurystatin E 	C23H38N4O5	450.28422	NA	MeJP	NA	NA
+MJ065755	17-Aminoestra-1,3,5(10)-trien-3-ol; 17?-form, N-(6-Maleimidohexyl) 	C28H38N2O3	450.288243	NA	MeJP	NA	NA
+MJ065756	Chaksine 	C22H38N6O4	450.295453	NA	MeJP	NA	NA
+C09940	Chaksine	C22H38N6O4	450.2955	NA	KEGG	NA	NA
+MJ065757	10-Aromadendranol, O-(2-O-Tigloyl-?-D-fucopyranoside) 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065758	11-Eudesmen-4-ol, 4-O-[3-Methyl-2-butenoyl-(?3)-?-D-fucopyranoside] 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065759	11-Eudesmen-4-ol, 4-O-[3-O-Tigloyl-?-D-fucopyranoside] 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065760	4-Cubebanol, O-(4-O-Angeloyl-6-deoxy-?-D-glucopyranoside) 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065761	6-Pentadecyl-1,2,4-benzenetriol; 2'-Acetoxy, 2-Me ether, O4-Ac 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065762	Homoancepsenolide; 3,4-Dihydro, 4-acetoxy 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065763	Lemnabourside 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065764	Pregn-20-ene-3,4-diol, 4-O-?-D-Arabinopyranoside 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065765	Pregn-20-ene-3,4-diol, 4-O-?-D-Xylopyranoside 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065766	Pregn-5-ene-3,11,12,14,20-pentol, Mono-O-(3-methylbutanoyl) 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065767	Pregn-5-ene-3,20-diol, 3-?-L-Arabinopyranoside 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065768	Pregnane-3,12,14,17,20-pentol, 12-Tigloyl 	C26H42O6	450.298139	NA	MeJP	NA	NA
+MJ065769	14,14'-Oxybis[3(15),6-caryophylladien-8-one] 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065770	21-Hydroxycycloarta-1,11,24-trien-3-one; 21-Carboxylic acid 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065771	3,20-Dihydroxy-11,13(18),19(29)-ursatrien-28-oic acid, 28?20 Lactone 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065772	3-Oxolanosta-1,5,8,24-tetraen-26-oic acid; 24Z-form 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065773	3-Oxolanosta-7,22,24-trien-26,22-olide 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065774	Cryptoquinonemethide D 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065775	Dysonone B; 29-Deoxy, 1,2-didehydro, 7-ketone 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065776	Heleniumlactone 1 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065777	Heleniumlactone 3 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065778	Perovskone 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065779	Pomacerone 	C30H42O3	450.313395	NA	MeJP	NA	NA
+MJ065780	Puliscabrin 	C30H42O3	450.313395	NA	MeJP	NA	NA
+CJneg0606	Chenodeoxyglycocholic acid [(M-H)]- (13C)	C2513CH42NO5	450.318025	C18rt(min)=8.86 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0606	Chenodeoxyglycocholic acid [(M-H)]- (13C)	C2513CH42NO5	450.318025	C18rt(min)=8.86 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C04722	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate	C27H46O5	450.3345	NA	KEGG	NA	NA
+MJ065781	2,3,14,22-Tetrahydroxycholestan-6-one 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065782	2,3,22,23-Tetrahydroxycholestan-6-one 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065783	3,14,20,22-Tetrahydroxycholestan-6-one 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065784	3,7,12-Trihydroxycholestan-26-oic acid 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065785	Cholest-22-ene-3,6,8,15,24-pentol 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065786	Cholestane-3,6,15,16,26-pentol, 6-Ketone 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065787	Cholestane-3,6,15,16,26-pentol, 22,23-Didehydro (E-) 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065788	Cholestane-3,6,16,23,24-pentol, 6-Ketone 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065789	Stellattasterenol 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MJ065790	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate 	C27H46O5	450.334524	NA	MeJP	NA	NA
+MetaCyc03607	3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanate [3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestan-26-ate;3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoate;3&alpha;,7&alpha;,12&alpha;-trihydroxy5-&beta;-cholestan-26-oate;(25R)-3&alpha;,7&alpha;,12&alpha;-trihydroxy5-&beta;-cholestan-26-oate;]	C27H46O5	450.334525	NA	metacyc	NA	NA
+HMDB00601	Coprocholic acid	C27H46O5	450.33453	http://www.hmdb.ca/metabolites/HMDB00601	HMDB	NA	NA
+HMDB03873	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate	C27H46O5	450.33453	http://www.hmdb.ca/metabolites/HMDB03873	HMDB	NA	NA
+HMDB00601	Coprocholic acid	C27H46O5	450.33453	HMDB00601	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03873	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate	C27H46O5	450.33453	HMDB03873	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00601	Coprocholic acid	C27H46O5	450.334534	NA	HMDB2010	NA	NA
+HMDB03873	3a,7a,12a-Trihydroxy-5b-cholestanoic acid	C27H46O5	450.334534	NA	HMDB2010	NA	NA
+MJ065791	Azcarpine 	C26H46N2O4	450.345757	NA	MeJP	NA	NA
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	HMDB	NA	NA
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	Inhouse_PFEM	NA	NA
+MJ065792	2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol 	C31H46O2	450.34978	NA	MeJP	NA	NA
+MJ065793	Coscinoquinol 	C31H46O2	450.34978	NA	MeJP	NA	NA
+MJ065794	Vitamin K1 	C31H46O2	450.34978	NA	MeJP	NA	NA
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR202	Vitamin K	C31H46O2	450.34978	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc03608	phylloquinone [2-methyl-3-phytyl-1,4-naphthoquinone;phytonadione;phytomenadione;3-phytylmenadione;vitamin K1;]	C31H46O2	450.349781	84-80-0	metacyc	NA	NA
+HMDB03555	Vitamin K	C31H46O2	450.34979	http://www.hmdb.ca/metabolites/HMDB03555	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03555	Vitamin K	C31H46O2	450.34979	http://www.hmdb.ca/metabolites/HMDB03555	HMDB	NA	NA
+HMDB03555	Vitamin K	C31H46O2	450.34979	http://www.hmdb.ca/metabolites/HMDB03555	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03555	Vitamin K	C31H46O2	450.34979	HMDB03555	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03555	Vitamin K1	C31H46O2	450.349792	NA	HMDB2010	NA	NA
+EUR202	Vitamin K	C31H46O2	450.3498	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR202	Vitamin K	C31H46O2	450.3498	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR202	Vitamin K	C31H46O2	450.3498	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR202	Vitamin K	C31H46O2	450.3498	Wishlist	Inhousejuil11	NA	NA
+C02059	Phylloquinone	C31H46O2	450.3498	NA	KEGG	NA	NA
+MJ065795	Chonemorphine; N-Benzoyl 	C30H46N2O	450.361014	NA	MeJP	NA	NA
+C15802	6-Deoxocastasterone	C28H50O4	450.3709	NA	KEGG	NA	NA
+MJ065796	26,27-Dinor-3,8,14,21-onoceranetetrol 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MJ065797	Ergostane-1,3,5,6-tetrol 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MJ065798	Ergostane-2,3,22,23-tetrol 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MJ065799	Ergostane-3,5,6,18-tetrol 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MJ065800	Ergostane-3,5,6,25-tetrol 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MJ065801	Ergostane-3,5,6,7-tetrol 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MJ065802	Margosinolone 	C28H50O4	450.37091	NA	MeJP	NA	NA
+MetaCyc03609	6-deoxocastasterone [deoxocastasterone;]	C28H50O4	450.37091	NA	metacyc	NA	NA
+MJ065803	Buxus Alkaloid E 	C27H50N2O3	450.382143	NA	MeJP	NA	NA
+MJ065804	Haliclamine B 	C31H50N2	450.397399	NA	MeJP	NA	NA
+MJ065805	Plakinamine B 	C31H50N2	450.397399	NA	MeJP	NA	NA
+C16895	Plakinamine B	C31H50N2	450.3974	NA	KEGG	NA	NA
+MJ065806	10,12-Triacontanedione 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065807	11,13-Triacontanedione 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065808	11-Oxotriacontanal 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065809	12,14-Triacontanedione 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065810	12-Nonacosenoic acid; Me ester 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065811	13,15-Triacontanedione 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065812	13-Oxotriacontanal 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065813	15-Oxotriacontanal 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065814	21-Triacontenoic acid 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065815	23-Triacontenoic acid 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065816	24-Triacontenoic acid 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065817	28-Methyl-27-nonacosenoic acid 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065818	7,9-Triacontanedione 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065819	7-Oxotriacontanal 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065820	9-Oxotriacontanal 	C30H58O2	450.443681	NA	MeJP	NA	NA
+MJ065821	16-Hentriacontanone 	C31H62O	450.480066	NA	MeJP	NA	NA
+MJ065822	2-Hentriacontanone 	C31H62O	450.480066	NA	MeJP	NA	NA
+MJ065823	25-Methyl-10-triacontanone 	C31H62O	450.480066	NA	MeJP	NA	NA
+MJ065824	3,11-Dimethyl-2-nonacosanone 	C31H62O	450.480066	NA	MeJP	NA	NA
+MJ065825	7-Methyl-4-triacontanone 	C31H62O	450.480066	NA	MeJP	NA	NA
+MJ065826	9-Hentriacontanone 	C31H62O	450.480066	NA	MeJP	NA	NA
+C08379	Hentriacontan-16-one	C31H62O	450.4801	NA	KEGG	NA	NA
+MJ065827	Dotriacontane 	C32H66	450.516452	NA	MeJP	NA	NA
+3577	NA	QSQPQAFP	450.7075	MH2+	Inhouse_peptide	NA	peptide
+7879	peptide from b-casein (ovine and caprine milk)	YQEPVLGP	450.72	MH2+	Inhouse_peptide	NA	peptide
+MJ065828	Keronopsin B1; 17-Bromo 	C18H15Br2NO3	450.941868	NA	MeJP	NA	NA
+MJ065829	Chloro[hexahydro-1H-1,4,7-triazonine-1,4,7-triacetato(3-)-N1,N4,N7,O1,O4,O7]indate(1-)hydrogen 	C12H19ClInN3O6	451.000116	NA	MeJP	NA	NA
+MJ065830	Kenazepine 	C19H16BrClFN3O2	451.009845	NA	MeJP	NA	NA
+MJ065831	1-[Caffeoyloxy(carboxy)methoxy]-1H-pyrrole-2,3,5-tricarboxylic acid 	C18H13NO13	451.038689	NA	MeJP	NA	NA
+MJ065832	3-Hydroxy-5-(methylthio)pentyl glucosinolate 	C13H25NO10S3	451.064058	NA	MeJP	NA	NA
+MJ065833	5-(Methylthio)pentyl glucosinolate; S-Oxide 	C13H25NO10S3	451.064058	NA	MeJP	NA	NA
+C08400	Glucoalyssin	C13H25NO10S3	451.0641	NA	KEGG	NA	NA
+MJ065834	Broclepride 	C20H23BrClN3O2	451.066217	NA	MeJP	NA	NA
+MJ065835	Ascamycin 	C13H18ClN7O7S	451.067694	NA	MeJP	NA	NA
+MJ065836	Aqua[1,1-bis(aminomethyl)cyclohexane]sulfatoplatinum(II) 	C8H20N2O5PtS	451.074066	NA	MeJP	NA	NA
+C06433	5'-Benzoylphosphoadenosine	C17H18N5O8P	451.0893	NA	KEGG	NA	NA
+MJ065837	4-Phenylbutyl glucosinolate 	C17H25NO9S2	451.097072	NA	MeJP	NA	NA
+MJ065838	4-[(Diphenylacetyl)oxy]-1,1-dimethylpiperidinium(1+); Iodide 	C21H26INO2	451.100822	NA	MeJP	NA	NA
+MJ065839	Yokonoside 	C20H21NO11	451.11146	NA	MeJP	NA	NA
+MJ065840	6-(2-Chlorophenyl)-9-(cyclopropylcarbonyl)-7,8,9,10-tetrahydro-1,4-dimethyl-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine 	C23H22ClN5OS	451.123358	NA	MeJP	NA	NA
+MJ065841	Anthracyclinone blue B 	C24H21NO8	451.126716	NA	MeJP	NA	NA
+MJ065842	Stilonium(1+), Iodide 	C22H30INO	451.137208	NA	MeJP	NA	NA
+PJ001699	SCNE 	C15H25N5O9S	451.1373	NA	PeJP	NA	NA
+C14791	(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene	C20H25N3O7S	451.1413	NA	KEGG	NA	NA
+C14792	(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene	C20H25N3O7S	451.1413	NA	KEGG	NA	NA
+C14793	(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene	C20H25N3O7S	451.1413	NA	KEGG	NA	NA
+MJ065843	Simmondsin; Di-O-de-Me, 2-O-benzoyl 	C21H25NO10	451.147846	NA	MeJP	NA	NA
+MJ065844	Simmondsin; Di-O-de-Me, 3-O-benzoyl 	C21H25NO10	451.147846	NA	MeJP	NA	NA
+MJ065845	Simmondsin; Di-O-de-Me, 4-O-benzoyl 	C21H25NO10	451.147846	NA	MeJP	NA	NA
+PJ001700	GSCW 	C19H25N5O6S	451.1526	NA	PeJP	NA	NA
+MJ065846	Antibiotic TAN 1030A; 4'-De(hydroxyimino), 4'-oxo 	C27H21N3O4	451.153206	NA	MeJP	NA	NA
+MJ065847	Ftorpropazine 	C22H24F3N3O2S	451.154132	NA	MeJP	NA	NA
+PJ001701	GSSSD 	C15H25N5O11	451.1551	NA	PeJP	NA	NA
+PJ001702	GNMM 	C16H29N5O6S2	451.1559	NA	PeJP	NA	NA
+PJ001703	GGGMM 	C16H29N5O6S2	451.156	NA	PeJP	NA	NA
+MJ065848	Piflutixol 	C24H25F4NOS	451.159297	NA	MeJP	NA	NA
+C14524	Flucythrinate	C26H23F2NO4	451.1595	NA	KEGG	NA	NA
+PJ001704	ACCR 	C15H29N7O5S2	451.1672	NA	PeJP	NA	NA
+PJ001705	GNDF 	C19H25N5O8	451.1703	NA	PeJP	NA	NA
+PJ001706	SSQM 	C16H29N5O8S	451.1737	NA	PeJP	NA	NA
+MJ065849	Uvarindole D 	C29H25NO4	451.178358	NA	MeJP	NA	NA
+MJ065850	Pseudolycorine; 1-O-?-D-Glucopyranoside 	C22H29NO9	451.184231	NA	MeJP	NA	NA
+PJ001707	SSCR 	C15H29N7O7S	451.1849	NA	PeJP	NA	NA
+MJ065851	Doxazosin 	C23H25N5O5	451.185568	NA	MeJP	NA	NA
+C06970	Doxazosin	C23H25N5O5	451.1856	NA	KEGG	NA	NA
+MJ065852	Homofenazine 	C23H28F3N3OS	451.190517	NA	MeJP	NA	NA
+PJ001708	GSSTT 	C16H29N5O10	451.1915	NA	PeJP	NA	NA
+PJ001709	ACKM 	C17H33N5O5S2	451.1923	NA	PeJP	NA	NA
+FLIAA9NIN001	Piscerythramine;4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone	C26H29NO6	451.19948	132923-36-5	knapsack	NA	NA
+MJ065853	Isopiscerythramine 	C26H29NO6	451.199487	NA	MeJP	NA	NA
+MJ065854	Piscerythramine 	C26H29NO6	451.199487	NA	MeJP	NA	NA
+C10518	Piscerythramine	C26H29NO6	451.1995	NA	KEGG	NA	NA
+MJ065855	Dysidine 	C23H33NO6S	451.202858	NA	MeJP	NA	NA
+MJ065856	Gerambullin; 12-Methoxy, 8'-hydroxy 	C23H33NO6S	451.202858	NA	MeJP	NA	NA
+2834	papain inhibitor	GGYR	451.206	NA	Inhouse_peptide	NA	peptide
+PJ001710	AAQY 	C20H29N5O7	451.2067	NA	PeJP	NA	NA
+PJ001711	SSKM 	C17H33N5O7S	451.2101	NA	PeJP	NA	NA
+C11221	Formylmethionyl-leucyl-phenylalanine methyl ester	C22H33N3O5S	451.2141	NA	KEGG	NA	NA
+PJ001712	NRY 	C19H29N7O6	451.2179	NA	PeJP	NA	NA
+PJ001713	GGRY 	C19H29N7O6	451.218	NA	PeJP	NA	NA
+MJ065857	Antibiotic AB 3217A; 13-O-(4-Methylpentanoyl) 	C23H33NO8	451.220617	NA	MeJP	NA	NA
+MJ065858	N-[4-(8-Cyano-1,3a,4,9b-tetrahydro[1]benzopyrano[3,4-c]pyrrol-2(3H)-yl)butyl][1,1'-biphenyl]-4-carboxamide 	C29H29N3O2	451.225977	NA	MeJP	NA	NA
+MJ065859	Paxilline; 14a?-Hydroxy 	C27H33NO5	451.235873	NA	MeJP	NA	NA
+MJ065860	Terpendole H 	C27H33NO5	451.235873	NA	MeJP	NA	NA
+MJ065861	Trideacetylpyripyropene A; 7,11,19-Trideoxy, 3-Ac 	C27H33NO5	451.235873	NA	MeJP	NA	NA
+2611	synthetic peptide inhibitors of (PEP)	IYPFPGPI	451.238	MH2+	Inhouse_peptide	NA	peptide
+PJ001714	AAKY 	C21H33N5O6	451.2431	NA	PeJP	NA	NA
+MJ065862	Alkaloid LBZ 	C26H33N3O4	451.247106	NA	MeJP	NA	NA
+PJ001715	APKH 	C20H33N7O5	451.2543	NA	PeJP	NA	NA
+MJ065863	Bonvalol 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065864	Delboxine 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065865	Delcorine; O1,O14-Di-de-Me 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065866	Delcorine; O1,O16-Di-de-Me 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065867	Delcosine; 14-Ketone 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065868	Dictyocarpinine 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065869	Erythrophleum C24 Alkaloid 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065870	Gadesine; 18-Hydroxy, O14-Me 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065871	Gadesine; 18-Methoxy 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065872	Ibukinamine; O6-Me 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065873	Norerythrosuamide; 3?-Hydroxy 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065874	Vaginatine; 14-Ketone 	C24H37NO7	451.257002	NA	MeJP	NA	NA
+MJ065875	3',4'-Dideoxykanamycin B 	C18H37N5O8	451.264213	NA	MeJP	NA	NA
+EUR731	Lyso PC 14:1 [M-H-CH3]-	C22H44NO7P	451.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR829	Lyso PE 16:1 monoisotopic mass 	C21H42NO7P	451.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR731	Lyso PC 14:1 [M-H-CH3]-	C22H44NO7P	451.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR829	Lyso PE 16:1 monoisotopic mass 	C21H42NO7P	451.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR731	Lyso PC 14:1 [M-H-CH3]-	C22H44NO7P	451.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR829	Lyso PE 16:1 monoisotopic mass 	C21H42NO7P	451.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR731	Lyso PC 14:1 [M-H-CH3]-	C22H44NO7P	451.269892	masses lipides attendues	Inhousejuil11	NA	NA
+EUR829	Lyso PE 16:1 monoisotopic mass 	C21H42NO7P	451.269892	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11474	LysoPE(0:0/16:1(9Z))	C21H42NO7P	451.269897	NA	HMDB2010	NA	NA
+HMDB11504	LysoPE(16:1(9Z)/0:0)	C21H42NO7P	451.269897	NA	HMDB2010	NA	NA
+MJ065876	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 18-Deoxy 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065877	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Deoxy 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065878	Cytochalasin O 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065879	Echinophyllin A 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065880	Echinophyllin D 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065881	Epoxycytochalasin H; O-De-Ac 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065882	Homprenorphine 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065883	Terpendole F; 19-Aldehyde 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065884	Zygosporin D; 17-Deoxo 	C28H37NO4	451.272258	NA	MeJP	NA	NA
+MJ065885	Isoleucylamiclenomycylglutamic acid; NIle-Me, amide 	C22H37N5O5	451.279469	NA	MeJP	NA	NA
+MJ065886	Chasmanine 	C25H41NO6	451.293388	NA	MeJP	NA	NA
+MJ065887	Delsoline; 1-Deoxy 	C25H41NO6	451.293388	NA	MeJP	NA	NA
+MJ065888	Dihydrogadesine; O1,O14-Di-Me 	C25H41NO6	451.293388	NA	MeJP	NA	NA
+MJ065889	Senbusine A; O1,O14-Di-Me 	C25H41NO6	451.293388	NA	MeJP	NA	NA
+MJ065890	Senbusine A; O1,O6,O14-Tri-Me, O18-de-Me 	C25H41NO6	451.293388	NA	MeJP	NA	NA
+C08187	Cabergoline	C26H37N5O2	451.2947	NA	KEGG	NA	NA
+C08188	Transferred to D00988	C26H37N5O2	451.2947	NA	KEGG	NA	NA
+C08189	Transferred to D00989	C26H37N5O2	451.2947	NA	KEGG	NA	NA
+C08190	Transferred to D00990	C26H37N5O2	451.2947	NA	KEGG	NA	NA
+MJ065891	Cabergoline 	C26H37N5O2	451.294725	NA	MeJP	NA	NA
+CJneg0607	Chenodeoxyglycocholic acid [(M-H)]- (18O)	C26H42NO418O	451.318925	C18rt(min)=8.86 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0607	Chenodeoxyglycocholic acid [(M-H)]- (18O)	C26H42NO418O	451.318925	C18rt(min)=8.86 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+HMDB00483	5b-Cholestane-3a,7a,12a,23S,25-pentol	C27H47O5	451.342346	NA	HMDB2010	NA	NA
+MJ065892	Mycalazoles; Mycalazole 1, 7',8'-Dihydro 	C30H45NO2	451.345029	NA	MeJP	NA	NA
+MJ065893	Chonemorphine; N-(3-Pyridinecarbonyl) 	C29H45N3O	451.356263	NA	MeJP	NA	NA
+MJ065894	Solapalmitenine 	C28H57N3O	451.450163	NA	MeJP	NA	NA
+MJ065895	Hexacosanoic acid; 2-Methylpropylamide 	C30H61NO	451.475315	NA	MeJP	NA	NA
+MJ065896	Bis(2,4-dichlorophenyl)iodonium(1+); Chloride 	C12H6Cl5I	451.795682	NA	MeJP	NA	NA
+MJ065897	Bromotriphlorethol A1 	C18H13BrO9	451.974294	NA	MeJP	NA	NA
+MJ065898	Bromotriphlorethol A2 	C18H13BrO9	451.974294	NA	MeJP	NA	NA
+MJ065899	Mannitol, Hexanitrate 	C6H8N6O18	451.989507	NA	MeJP	NA	NA
+MJ065900	20-Bromo-5,11,15,19-eicosatetraene-9,17-diynoic acid, 6-Bromo(Z) 	C20H22Br2O2	451.998655	NA	MeJP	NA	NA
+MJ065901	3,4-Hexahydroxydiphenoylarabinose 	C19H16O13	452.05909	NA	MeJP	NA	NA
+MJ065902	1,3,5,6,7-Pentahydroxyxanthone; 3-Me ether, 7-O-?-D-glucopyranoside 	C20H20O12	452.095476	NA	MeJP	NA	NA
+MJ065903	6-Galloylglucose; ?-D-Pyranose-form, 1-(4-Hydroxybenzoyl) 	C20H20O12	452.095476	NA	MeJP	NA	NA
+MJ065904	Exserohilone; 9,10-Dihydro 	C20H24N2O6S2	452.107577	NA	MeJP	NA	NA
+C10217	Cinchonain 1a	C24H20O9	452.1107	NA	KEGG	NA	NA
+FL63ACNN0004	9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one	C24H20O9	452.11073	88903-73-5	knapsack	NA	NA
+FL63ACNN0005	Cinchonain Ib	C24H20O9	452.11073	85022-69-1	knapsack	NA	NA
+FL63ACNN0006	Cinchonain Ic	C24H20O9	452.11073	85081-22-7	knapsack	NA	NA
+FL63ACNN0007	Cinchonain Id	C24H20O9	452.11073	85022-67-9	knapsack	NA	NA
+FL63AGNN0002	Epigallocatechin 3-O-p-coumarate	C24H20O9	452.11073	89013-65-0	knapsack	NA	NA
+MJ065905	2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2-O-(4R,5S-dihydroxy-2-hexenoyl) 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065906	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxycinnamoyl) 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065907	9-[(2,3-Dihydro-6-hydroxy-2-(hydroxymethyl)-3-benzofuranyl)oxy]-3,10-dihydroxy-6H-dibenzo[b,d]pyran-6-one; 7'-Methoxy, 10-Me ether 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065908	Cadensin A 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065909	Cinchonain Ia 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065910	Cinchonain Ic 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065911	Palmarumycin C15; 4,5-Dihydro, 3-ketone, di-Ac 	C24H20O9	452.110732	NA	MeJP	NA	NA
+MJ065912	Subalatin 	C24H20O9	452.110732	NA	MeJP	NA	NA
+PJ001716	CCNN 	C14H24N6O7S2	452.1148	NA	PeJP	NA	NA
+MJ065913	Nuezhenidic acid 	C17H24O14	452.116605	NA	MeJP	NA	NA
+PJ001717	SCDE 	C15H24N4O10S	452.1213	NA	PeJP	NA	NA
+PJ001718	PCCM 	C16H28N4O5S3	452.1222	NA	PeJP	NA	NA
+MJ065914	18-Chloro-15,16-epoxy-4,6,19-trihydroxy-3-oxo-13(16),14-clerodadien-20,12-olide, 6-Ketone, 19-Ac 	C22H25ClO8	452.123795	NA	MeJP	NA	NA
+MJ065915	Anigopreissin A 	C28H20O6	452.125988	NA	MeJP	NA	NA
+MJ065916	Betulifol A 	C28H20O6	452.125988	NA	MeJP	NA	NA
+MJ065917	?-Viniferin, 7',8'-Didehydro 	C28H20O6	452.125988	NA	MeJP	NA	NA
+FL1DACCS0001	Aspalathin;3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone	C21H24O11	452.13186	6027-43-6	knapsack	NA	NA
+FL1DACGS0001	Sieboldin	C21H24O11	452.13186	18777-73-6	knapsack	NA	NA
+FL1DHXCS0002	Coatline B	C21H24O11	452.13186	87441-89-2	knapsack	NA	NA
+FL63ACCS0001	6-C-Glucopyranosylepicatechin	C21H24O11	452.13186	103215-49-2	knapsack	NA	NA
+FL63ACCS0002	8-C-Glucopyranosylepicatechin	C21H24O11	452.13186	103215-48-1	knapsack	NA	NA
+FL63ACCS0003	6-C-Glucopyranosylcatechin	C21H24O11	452.13186	105371-27-5	knapsack	NA	NA
+FL63ACCS0004	8-C-Glucopyranosylcatechin	C21H24O11	452.13186	105371-26-4	knapsack	NA	NA
+FL63ACCS0005	Epicatechin 8-C-beta-D-galactoside	C21H24O11	452.13186	-	knapsack	NA	NA
+FL63ACGS0002	Epicatechin 3-O-beta-D-allopyranoside	C21H24O11	452.13186	98819-14-8	knapsack	NA	NA
+FL63ACGS0005	Catechin 3-O-beta-D-glucopyranoside	C21H24O11	452.13186	109280-46-8	knapsack	NA	NA
+FL63ACGS0006	Epicatechin 3-O-beta-D-glucopyranoside	C21H24O11	452.13186	103303-00-0	knapsack	NA	NA
+FL63ACGS0010	Catechin 5-O-beta-D-glucopyranoside	C21H24O11	452.13186	88126-53-8	knapsack	NA	NA
+FL63ACGS0011	Epicatechin 5-O-beta-D-glucopyranoside	C21H24O11	452.13186	131831-20-4	knapsack	NA	NA
+FL63ACGS0016	Catechin 7-O-beta-D-glucopyranoside	C21H24O11	452.13186	65597-47-9	knapsack	NA	NA
+FL63ACGS0017	ent-Catechin 7-O-beta-D-glucopyranoside	C21H24O11	452.13186	88197-03-9	knapsack	NA	NA
+FL63ACGS0019	Catechin 3'-O-beta-D-glucopyranoside	C21H24O11	452.13186	105330-51-6	knapsack	NA	NA
+FL63ACGS0020	Catechin 4'-O-beta-D-glucopyranoside	C21H24O11	452.13186	105330-52-7	knapsack	NA	NA
+FL6DAAGS0001	Leucopelargonidin 3-O-glucoside	C21H24O11	452.13186	27960-39-0	knapsack	NA	NA
+FL6DACGS0003	Catechin-4-ol 3-O-alpha-L-rhamnopyranoside	C21H24O11	452.13186	75303-46-7	knapsack	NA	NA
+MJ065918	2',3,4,4',6'-Pentahydroxydihydrochalcone; 2'-O-?-D-Galactopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065919	2',3,4,4',6'-Pentahydroxydihydrochalcone; 2'-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065920	2',3,4,4',6'-Pentahydroxydihydrochalcone; 4'-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065921	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065922	2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065923	2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065924	2-(4-Hydroxyphenyl)ethanol; 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065925	3,3',4',5,7-Pentahydroxyflavan, 3-O-?-D-Allopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065926	3,3',4',5,7-Pentahydroxyflavan, 3-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065927	3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065928	3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065929	3,3',4',5,7-Pentahydroxyflavan, 3'-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065930	3,3',4',5,7-Pentahydroxyflavan, 3-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065931	3,3',4',5,7-Pentahydroxyflavan, 4'-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065932	3,3',4',5,7-Pentahydroxyflavan, 5-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065933	3,3',4',5,7-Pentahydroxyflavan, 7-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065934	3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-L-Rhamnopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065935	3,4,4',5,7-Pentahydroxyflavan, 3-O-?-D-Glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065936	3,4-Dihydroxybenzyl alcohol; 1'-O-(3-Hydroxy-4-methoxybenzoyl), 4-O-?-D-glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065937	3-Butylidene-1(3H)-isobenzofuranone, 7-Hydroxy, 7-O-(6-O-malonyl-?-D-glucopyranoside) 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065938	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 3',4'-Di-Me ether 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065939	5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one; 7-O-(2,6-Di-O-acetyl-?-D-glucopyranoside) 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065940	6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavan 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065941	8-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavan 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065942	Aspalathin 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065943	Coatline A 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065944	Curculigoside; O-De-Me 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065945	Eranthin; 1''-Hydroxy, 4'-O-?-D-glucopyranoside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065946	Olinioside 	C21H24O11	452.131861	NA	MeJP	NA	NA
+MJ065947	Precarthamin 	C21H24O11	452.131861	NA	MeJP	NA	NA
+PJ001719	GDMM 	C16H28N4O7S2	452.14	NA	PeJP	NA	NA
+MJ065948	Speranculatine A 	C20H24N2O10	452.143094	NA	MeJP	NA	NA
+C12404	Urdamycinone B	C25H24O8	452.1471	NA	KEGG	NA	NA
+FL3FA9NP0006	(9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C25H24O8	452.14711	613246-07-4	knapsack	NA	NA
+FL3FACND0001	Epimedokoreanin A;2-(3,4-Dihydro-3,4,8-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	C25H24O8	452.14711	157998-97-5	knapsack	NA	NA
+MJ065949	Atramycin A; 6-Deoxy 	C25H24O8	452.147117	NA	MeJP	NA	NA
+MJ065950	Epimedokoreanin A 	C25H24O8	452.147117	NA	MeJP	NA	NA
+MJ065951	Maackolin 	C25H24O8	452.147117	NA	MeJP	NA	NA
+MJ065952	Propolisbenzofuran A 	C25H24O8	452.147117	NA	MeJP	NA	NA
+PJ001720	GDDF 	C19H24N4O9	452.1544	NA	PeJP	NA	NA
+PJ001721	SSEM 	C16H28N4O9S	452.1577	NA	PeJP	NA	NA
+PJ001722	GCHH 	C17H24N8O5S	452.1591	NA	PeJP	NA	NA
+MJ065953	7-Protoilludene-1,5,6,14-tetrol, 5-(3-Chloro-4,6-dihydroxy-2-methylbenzoyl) 	C23H29ClO7	452.16018	NA	MeJP	NA	NA
+MJ065954	Chaetoviridin D; 12-Deoxy 	C23H29ClO7	452.16018	NA	MeJP	NA	NA
+FL1DA9NC0007	Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone	C29H24O5	452.16237	64675-27-0	knapsack	NA	NA
+MJ065955	1,8-Bis(4-hydroxybenzyl)-4-methoxy-2,7-phenanthrenediol 	C29H24O5	452.162373	NA	MeJP	NA	NA
+MJ065956	Chamuvaritin 	C29H24O5	452.162373	NA	MeJP	NA	NA
+MJ065957	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 8,10,13-tri-Ac 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065958	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-(4-Hydroxy-2-methyl-2E-butenoyl), 13-Ac 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065959	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 8-Propanoyl, 1,13-di-Ac 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065960	1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 1-Hydroperoxide, 8-(3,4-dihydroxy-2-methylenebutanoyl), 15-Ac 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065961	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4-Di-Me ether, 3'-O-?-D-glucopyranoside 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065962	2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-Ac, Me ester 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065963	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-[6-O-Formyl-?-D-glucopyranoside] 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065964	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Propanoyl, 10,13-di-Ac 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065965	8-(2,3-Dihydroxy-3-methylbutyl)-7-hydroxy-2H-1-benzopyran-2-one, 7-Me ether, 2'-ester with quinic acid 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065966	Eurycomanol; 13?,18-Dihydro, 2-ketone, 12-Ac 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065967	Floribundal 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065968	Isospatheliachromen; 3,4-Dihydro, 3S-hydroxy, 5-Me ether, 3-O-?-D-glucopyranoside 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065969	Peucenin; 4'-(?-D-Glucopyranosyloxy), 7-Me ether, 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065970	Visamminol, 5-Me ether, 4'-O-?-D-glucopyranoside 	C22H28O10	452.168247	NA	MeJP	NA	NA
+MJ065971	Tetrahydro-3-furanyl [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]carbamate 	C23H24N4O6	452.169584	NA	MeJP	NA	NA
+PJ001723	APCY 	C20H28N4O6S	452.173	NA	PeJP	NA	NA
+MJ065972	Flupimazine 	C23H27F3N2O2S	452.174533	NA	MeJP	NA	NA
+MJ065973	Abaperidone 	C25H25FN2O5	452.17475	NA	MeJP	NA	NA
+MJ065974	Supprescin A 	C16H28N4O11	452.175457	NA	MeJP	NA	NA
+PJ001724	ATMM 	C17H32N4O6S2	452.1763	NA	PeJP	NA	NA
+MJ065975	Clocortolone; 21-Ac 	C24H30ClFO5	452.176579	NA	MeJP	NA	NA
+FL1CAANP0003	Derrichalcone	C26H28O7	452.1835	138079-39-3	knapsack	NA	NA
+FL2FAANP0020	Derriflavanone	C26H28O7	452.1835	146503-29-9	knapsack	NA	NA
+FL2FAANP0021	epi-Derriflavanone	C26H28O7	452.1835	146503-29-9	knapsack	NA	NA
+FL2FCCNF0001	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone	C26H28O7	452.1835	325149-81-3	knapsack	NA	NA
+FL3FALNI0020	Heteroartonin A;2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C26H28O7	452.1835	170894-23-2	knapsack	NA	NA
+FL3FRNNI0001	Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one	C26H28O7	452.1835	161017-02-3	knapsack	NA	NA
+FL5FADNI0002	Dorsmanin D;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C26H28O7	452.1835	211255-16-2	knapsack	NA	NA
+FL5FDCNI0003	Broussoflavonol B	C26H28O7	452.1835	99217-70-6	knapsack	NA	NA
+FL5FFANI0003	5,7-Dihydroxy-8-methoxy-3,4'-diprenyloxyflavone	C26H28O7	452.1835	160036-22-6	knapsack	NA	NA
+MJ065976	2',4',5,5',7-Pentahydroxy-3,3'-diprenylflavone; 4'-Me ether 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065977	3',4',5,5',7-Pentahydroxy-2',6'-diprenylisoflavone; 3'-Me ether 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065978	3,3',5,7-Tetrahydroxy-6,8-diprenylflavone; 3'-Me ether 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065979	3,3',5,7-Tetrahydroxy-6,8-diprenylflavone; 3-Me ether 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065980	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3,4'-Di-O-(3-methyl-2-butenyl) 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065981	7-(3,4-Dihydroxyphenyl)-7,8-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5-(3-methyl-2-butenyl)-9H-furo[2,3-f][1]benzopyran-9-one 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065982	Bulgarialactone A; 1''-Hydroxy 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065983	Carapolide D 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065984	Chaplashin 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065985	Cyclomammeisin; 9-Methoxy 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065986	Derrichalcone 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065987	Derriflavanone 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065988	Kushenol C; 5-Me ether 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065989	Phyllanone A 	C26H28O7	452.183503	NA	MeJP	NA	NA
+MJ065990	Shanciol A 	C26H28O7	452.183503	NA	MeJP	NA	NA
+PJ001725	PPCH 	C19H28N6O5S	452.1842	NA	PeJP	NA	NA
+C07349	3'-Demethylstaurosporine	C27H24N4O3	452.1848	NA	KEGG	NA	NA
+MJ065991	Okaramine A; N-De(1,1-dimethylpropenyl) 	C27H24N4O3	452.18484	NA	MeJP	NA	NA
+MJ065992	Staurosporine; O-De-Me 	C27H24N4O3	452.18484	NA	MeJP	NA	NA
+MetaCyc03610	3'-demethylstaurosporine [DMSTP;]	C27H24N4O3	452.184841	NA	metacyc	NA	NA
+MJ065993	6-(3,6-Dihydro-6-methyl-2-oxo-2H-1,3,4-thiadiazin-5-yl)-1-[(3,4-dimethoxyphenyl)(ethylimino)methyl]-1,2,3,4-tetrahydroquinoline 	C24H28N4O3S	452.188211	NA	MeJP	NA	NA
+CJpos0795	Porphobilinogen [(2M+H)]+	C20H29N4O8	452.190175	C18rt(min)=4.85 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0795	Porphobilinogen [(2M+H)]+	C20H29N4O8	452.190175	C18rt(min)=4.85 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ001726	AAEY 	C20H28N4O8	452.1907	NA	PeJP	NA	NA
+PJ001727	TTTM 	C17H32N4O8S	452.1941	NA	PeJP	NA	NA
+MJ065994	6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 21-Ac 	C24H30F2O6	452.201045	NA	MeJP	NA	NA
+MJ065995	Fluocinolone; 16,17-Acetonide 	C24H30F2O6	452.201045	NA	MeJP	NA	NA
+PJ001728	DRY 	C19H28N6O7	452.202	NA	PeJP	NA	NA
+MJ065996	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-(Methylpropanoyl), 1,9-di-Ac 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ065997	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 9-(Methylpropanoyl), 1,6-di-Ac 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ065998	1,5,15-Trihydroxy-2,6,10-farnesatrien-12-al; 9-Acetoxy, tri-Ac 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ065999	1-[4-[2-Hydroxy-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066000	15-Hydroxy-4,11(13)-eudesmadien-12,8-olide, 15-O-(6-Acetyl-?-D-glucopyranoside) 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066001	3,8,9,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 3,9-di-Ac 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066002	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066003	4-Hydroxy-9,11(13)-guaiadien-12,8-olide, O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066004	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 4?,5-Dihydro, 8-(2-methylbutanoyl), 9-Ac, Me ester 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066005	Neosolaniol; 8-(2-Methylpropanoyl) 	C23H32O9	452.204632	NA	MeJP	NA	NA
+MJ066006	Neosolaniol; 8-Butanoyl 	C23H32O9	452.204632	NA	MeJP	NA	NA
+PJ001729	TFW 	C24H28N4O5	452.206	NA	PeJP	NA	NA
+MetaCyc03611	dihydrogeranylgeranyl-PP [dihydroGGPP;dihydrogeranylgeranyl diphosphate;dihydrogeranylgeranyl pyrophosphate;]	C20H38O7P2	452.209277	NA	metacyc	NA	NA
+C17439	Dihydrogeranylgeranyl diphosphate	C20H38O7P2	452.2093	NA	KEGG	NA	NA
+PJ001730	GVMF 	C21H32N4O5S	452.2094	NA	PeJP	NA	NA
+MJ066007	Ochrindole A 	C29H28N2O3	452.209992	NA	MeJP	NA	NA
+MJ066008	Blasticidin S; 5-Hydroxymethyl 	C18H28N8O6	452.21318	NA	MeJP	NA	NA
+16	Actomyosin	SLYA	452.216	celiac toxic	Inhouse_peptide	NA	peptide
+FL1CALNI0001	Kushenol D	C27H32O6	452.21988	99217-65-9	knapsack	NA	NA
+FL2FALNI0039	(2S)-2'-Methoxykurarinone;(2S)-7,4'-Dihydroxy-8-lavandulyl-5,2'-dimethoxyflavanone	C27H32O6	452.21988	270249-38-2	knapsack	NA	NA
+FL2FCDNI0001	Amoradinin	C27H32O6	452.21988	94927-38-5	knapsack	NA	NA
+MJ066009	11,14-Epoxy-15-hydroxy-3,12-cyathadien-17-oic acid, 15-Benzoyl 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066010	3',4',5,7-Tetrahydroxy-6,8-diprenylflavanone, 3',7 or 4',7-Di-Me ether 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066011	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-O-(3,7-Dimethyl-2,6-octadienyl)(E-), 3-Ac 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066012	3,4-Epoxy-6,8-dihydroxy-11,13-clerodadien-15,16-olide, 6-Benzoyl 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066013	6,8-Dihydroxy-3-oxo-11,13-clerodadien-15,16-olide, 6-Benzoyl 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066014	Arisugacin E; 3-Ketone 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066015	Kuraridin; O2-Me 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066016	Mediterraneol E 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066017	Nimbolide; 28-Deoxo 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066018	Sophoraflavanone G; 2',5-Di-Me ether 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066019	Tricoccin S7 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066020	Vismione F; 3-Ac 	C27H32O6	452.219888	NA	MeJP	NA	NA
+MJ066021	Vismione G 	C27H32O6	452.219888	NA	MeJP	NA	NA
+C15461	17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-	C27H32O6	452.2199	NA	KEGG	NA	NA
+PJ001731	MFR 	C20H32N6O4S	452.2206	NA	PeJP	NA	NA
+MJ066022	Roseophilin 	C27H33ClN2O2	452.223056	NA	MeJP	NA	NA
+MJ066023	Tioperidone 	C25H32N4O2S	452.224596	NA	MeJP	NA	NA
+MJ066024	1-Octen-3-ol, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H36O11	452.225761	NA	MeJP	NA	NA
+MJ066025	HC Toxin I; 3''?-Hydroxy 	C21H32N4O7	452.227099	NA	MeJP	NA	NA
+PJ001732	GTLY 	C21H32N4O7	452.2271	NA	PeJP	NA	NA
+MJ066026	Delapril 	C26H32N2O5	452.231122	NA	MeJP	NA	NA
+MJ066027	Hippospongin E; ?-N-Ac 	C26H32N2O5	452.231122	NA	MeJP	NA	NA
+8146	peptide derived from rice bran proteins (Oryza sativa)	AIRQGDVF	452.23195	MH2+	Inhouse_peptide	NA	peptide
+C11189	Hoechst 33342	C27H28N6O	452.2325	NA	KEGG	NA	NA
+MJ066028	Neomangicol A 	C25H37ClO5	452.232952	NA	MeJP	NA	NA
+MJ066029	Bimolane 	C20H32N6O6	452.238332	NA	MeJP	NA	NA
+PJ001733	SPLH 	C20H32N6O6	452.2384	NA	PeJP	NA	NA
+MJ066030	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 7,9-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066031	16-Kaurene-1,3,6,7,11,15-hexol, 3,6-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066032	16-Kaurene-1,3,6,7,11,15-hexol, 3,7-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066033	16-Kaurene-2,3,6,7,11,15-hexol, 3,7-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066034	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-Et ether, 6-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066035	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 15,19-Di-Me ether, 6-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066036	2,3-Epoxy-5,6,10,14,16-grayanotoxanepentol, 6,14-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066037	3,4-Dihydroxy-7(11)-eudesmen-8-one, 3-(2-Acetoxy-3-hydroxy-2-methylbutanoyl), 4-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066038	3,7-Epoxy-4,8,13-trihydroxy-15(17)-cembren-16,14-olide, 8,13-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066039	4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 10,13-di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066040	4,18:11,16:15,16-Triepoxy-6,15,19-clerodanetriol, 6,19-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066041	4,20-Epoxy-11-taxene-2,5,9,10,13-pentol, 10,13-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066042	4,6,18,19-Tetrahydroxy-13-cleroden-15,16-olide, 6,19-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066043	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 6-(2(or 3)-Methylbutanoyl), 9-(2-methylpropanoyl) 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066044	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-(2(or3)-Methylbutanoyl), 6-(2-methylpropanoyl) 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066045	6-(2,12-Dihydroxytridecyl)-2,4-dihydroxybenzoic acid, 2',12'-Di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066046	8,9-Epoxy-2,4,6,10-daucanetetrol, 6-Angeloyl, 2,10-di-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066047	Nigakihemiacetal A; 11-Ac 	C24H36O8	452.241018	NA	MeJP	NA	NA
+MJ066048	Difenoxin; Et ester 	C30H32N2O2	452.246378	NA	MeJP	NA	NA
+C07872	Diphenoxylate	C30H32N2O2	452.2464	NA	KEGG	NA	NA
+C07873	Transferred to D00729	C30H32N2O2	452.2464	NA	KEGG	NA	NA
+MJ066049	Mutamicin 2a 	C18H36N4O9	452.248228	NA	MeJP	NA	NA
+MJ066050	14,20-Dihydroxy-1-oxowitha-2,4,6,24-tetraenolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066051	14,20-Dihydroxy-1-oxowitha-2,5,16,22-tetraenolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066052	14,20-Epoxy-1-oxowitha-2,5,24-trienolide, 17?-Hydroxy 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066053	14,20-Epoxy-1-oxowitha-2,5,24-trienolide, 27-Hydroxy 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066054	14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066055	14,20-Epoxy-27-hydroxy-1-oxowitha-3,5,24-trienolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066056	14,20-Epoxy-28-hydroxy-1-oxowitha-2,5,24-trienolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066057	2,3,22-Trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066058	2,3-Dihydroxy-6-oxo-23,24-dinor-1,3,5(10),7-friedelatetraen-29-oic acid 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066059	21,24-Epoxy-12-hydroxy-1-oxowitha-2,5,25(27)-trienolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066060	3,12,14-Trihydroxypregn-5-en-20-one, 12-O-Benzoyl 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066061	3,20,21-Trihydroxy-24,29-dinor-1(10),3,5,7-friedelatetraene-2,22-dione 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066062	3,22-Dihydroxy-24,29-dinor-1(10),3,5-friedelatriene-2,7,21-trione; 22?-form 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066063	3-Hydroxy-24,30-dinor-2,20-dioxo-20,21-seco-1(10),3,5,7-friedelatetraen-21-oic acid 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066064	5,6-Epoxy-4-hydroxy-1-oxowitha-2,14,24-trienolide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066065	Acnistin B 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066066	Azadirone; 14?,15?-Epoxide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066067	Azadirone; 15-Oxo, 14?,15-dihydro 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066068	Azadirone; 6?-Acetoxy, 7-O-de-Ac 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066069	Azadirone; 6?-Hydroxy 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066070	Celastanhydride 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066071	Salpichrolide A; 1?-Alcohol 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066072	Tingenin A; 15?,22?-Dihydroxy 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066073	Tingenin A; 20?,22?-Dihydroxy 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066074	Tingenin A; 20?,22?-Dihydroxy 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066075	Vepinin 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066076	Withametelin B 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066077	Withametelin; 5?,6?-Epoxide 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066078	Withanolide L 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066079	Withanolide N 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066080	Withanolide O 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066081	Withanolide U 	C28H36O5	452.256274	NA	MeJP	NA	NA
+MJ066082	Usambarensine; 1'R,2',3',4'-Tetrahydro, Nb-oxide(?-) 	C29H32N4O	452.257611	NA	MeJP	NA	NA
+MJ066083	Usambarensine; 6'-Hydroxy, 1'R,2',3',4'-tetrahydro 	C29H32N4O	452.257611	NA	MeJP	NA	NA
+MJ066084	Usambarensine; 6'-Hydroxy,1'S,2',3',4'-tetrahydro 	C29H32N4O	452.257611	NA	MeJP	NA	NA
+MJ066085	Halisulfate 2 	C25H40O5S	452.259645	NA	MeJP	NA	NA
+MJ066086	Halisulfate 3 	C25H40O5S	452.259645	NA	MeJP	NA	NA
+MJ066087	Halisulfate 5 	C25H40O5S	452.259645	NA	MeJP	NA	NA
+MJ066088	Sulfircin 	C25H40O5S	452.259645	NA	MeJP	NA	NA
+MJ066089	Isoleucylamiclenomycylglutamic acid; NIle-Me 	C22H36N4O6	452.263484	NA	MeJP	NA	NA
+C07670	Repaglinide	C27H36N2O4	452.2675	NA	KEGG	NA	NA
+MJ066090	Cephaeline, O-De-Me 	C27H36N2O4	452.267507	NA	MeJP	NA	NA
+MJ066091	Cephaeline, O10-De-Me 	C27H36N2O4	452.267507	NA	MeJP	NA	NA
+MJ066092	Cephaeline, O7'-De-Me 	C27H36N2O4	452.267507	NA	MeJP	NA	NA
+MJ066093	Repaglinide 	C27H36N2O4	452.267507	NA	MeJP	NA	NA
+PJ001734	ALLH 	C21H36N6O5	452.2747	NA	PeJP	NA	NA
+MJ066094	13,14,15-Trihydroxy-7-labden-17-oic acid, 14,15-Di-Ac, 17-Me ester 	C25H40O7	452.277403	NA	MeJP	NA	NA
+MJ066095	15,16-Epoxy-3-clerodene-7,15,18-triol, 15-Me ether, 18-(methylmalonoyl) 	C25H40O7	452.277403	NA	MeJP	NA	NA
+MJ066096	3,13-Clerodadiene-15,17-diol, 17-Carboxylic acid, 15-O-?-D-xylopyranoside 	C25H40O7	452.277403	NA	MeJP	NA	NA
+MJ066097	4,6,8,10-Tetrahydroxy-9-daucanone, 9?-Alcohol, 6,10-diangeloyl 	C25H40O7	452.277403	NA	MeJP	NA	NA
+MJ066098	Pregnane-3,12,14,17,20-pentol, 12,20-Di-Ac 	C25H40O7	452.277403	NA	MeJP	NA	NA
+MJ066099	13(16),14-Labdadiene-8,19-diol; 8?-form, 19-(4-Hydroxycinnamoyl)(E-) 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066100	15-Hydroxy-1(10)-halimen-18-oic acid, Cinnamoyl (E-) 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066101	15-Hydroxy-1(10)-halimen-18-oic acid, Cinnamoyl (Z-) 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066102	15-Kaurene-17,19-diol; ent-form, 19-[3-(4-Hydroxyphenyl)propanoyl] 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066103	17,19-Kauranediol, 17-Aldehyde, 19-O-[3-(4-hydroxyphenyl)propanoyl] 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066104	2,3-Dihydroxy-24-nor-1,3,5(10),7-friedelatetraen-29-oic acid 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066105	4-Methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066106	7-Labdene-15,17-diol, 17-Carboxylic acid, 15-O-Z-cinnamoyl 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066107	Excelsine 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066108	Jingullic acid 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066109	Natalic acid 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066110	Pfaffic acid; 11-Oxo, 3-ketone 	C29H40O4	452.292659	NA	MeJP	NA	NA
+MJ066111	Usambarine; 18,19-Dihydro 	C30H36N4	452.293997	NA	MeJP	NA	NA
+MJ066112	10-Aromadendranol, O-[2-Methylbutanoyl-(?2)-?-D-fucopyranoside] 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066113	11-Eudesmen-4-ol, 4-O-[2S-Methylbutanoyl-(?2)-?-D-fucopyranoside] 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066114	26,27-Dinorergost-22-ene-3,4,6,8,15,25-hexol 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066115	7,14-Labdadien-13-ol, O-(6-Deoxy-?-L-idopyranoside) 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066116	Amphidinolide T2 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066117	Cameronic acid 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066118	Pregnane-3,12,14,17,20-pentol, 20-(2-Methylbutanoyl) 	C26H44O6	452.313789	NA	MeJP	NA	NA
+MJ066119	17-Hydroxyandrosta-1,4-dien-3-one; 17?-form, 17-(10-Undecenoyl) 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066120	21-Hydroxy-3-oxo-12-lupen-28-oic acid; 21?-form, 28?21 Lactone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066121	22-Hydroxy-3-oxo-12-ursen-30-oic acid; 22?-form, 30?22 Lactone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066122	25(9?8)-Abeo-3-oxo-4(23)-friedelen-24,1-olide 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066123	3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-ketone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066124	3,16-Dihydroxyeupha-7,24-dien-21-oic acid, 3-Ketone, (21?16)-lactone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066125	3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 28?21 Lactone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066126	3,22-Dihydroxy-12-oleanen-29-oic acid, 3-Ketone, 29?22 lactone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066127	3,7-Dihydroxy-8-fernen-11-one, 3,7-Diketone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066128	3-Hydroxy-12,18-ursadien-28-oic acid, 3-Ketone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066129	3-Hydroxy-12,19-ursadien-28-oic acid, 3-Ketone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066130	3-Hydroxy-9(11),12-oleanadien-30-oic acid, 3-Ketone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066131	3-Hydroxylanosta-5,24-dien-26,22-olide, 3-Ketone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066132	3-Hydroxylanosta-7,9(11),24-trien-26,23-olide 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066133	3-Oxo-1,12-oleanadien-30-oic acid 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066134	3-Oxo-1,20(29)-lupadien-26-oic acid 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066135	3-Oxo-13,14-secolanosta-1,5,7,24-tetraen-26-oic acid 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066136	3-Oxolanosta-1,7,24-trien-26-oic acid 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066137	3-Oxolanosta-1,8,24-trien-26-oic acid; 24Z-form 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066138	3-Oxolanosta-7,24-dien-26,23-olide 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066139	3-Oxotirucalla-1,8,24-trien-26-oic acid 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066140	Colubrinic acid; 3-Deoxy, 1,3-didehydro 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066141	Dysonone B; 29-Deoxy, 1,2-didehydro 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066142	Flindissol; 3-Ketone, 21-oxo 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066143	Kadsulactone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066144	Lanosta-7,9(11),24-triene-3,26-diol, 3-Ketone, 26-carboxylic acid 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066145	Neokadsuranic acid A 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066146	Neokadsuranic acid C; 13-Deoxy, 13,18-didehydro 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066147	Nimolinone 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066148	Schisanlactone D 	C30H44O3	452.329045	NA	MeJP	NA	NA
+MJ066149	Agel 452 	C23H44N6O3	452.347489	NA	MeJP	NA	NA
+HMDB00483	5b-Cholestane-3a,7a,12a,23S,25-pentol	C27H48O5	452.35016	http://www.hmdb.ca/metabolites/HMDB00483	HMDB	NA	NA
+HMDB00513	5b-Cholestane-3a,7a,12a,23R,25-pentol	C27H48O5	452.35016	http://www.hmdb.ca/metabolites/HMDB00513	HMDB	NA	NA
+HMDB00556	5b-Cholestane-3a,7a,12a,24,25-pentol	C27H48O5	452.35016	http://www.hmdb.ca/metabolites/HMDB00556	HMDB	NA	NA
+HMDB00558	5a-Cholestane-3a,7a,12a,23,25-pentol	C27H48O5	452.35016	http://www.hmdb.ca/metabolites/HMDB00558	HMDB	NA	NA
+HMDB02180	5b-Cholestane-3a,7a,12a,25,26-pentol	C27H48O5	452.35016	http://www.hmdb.ca/metabolites/HMDB02180	HMDB	NA	NA
+HMDB02208	Cholestane-3,7,12,24,25-pentol	C27H48O5	452.35016	http://www.hmdb.ca/metabolites/HMDB02208	HMDB	NA	NA
+HMDB00483	5b-Cholestane-3a,7a,12a,23S,25-pentol	C27H48O5	452.35016	HMDB00483	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00513	5b-Cholestane-3a,7a,12a,23R,25-pentol	C27H48O5	452.35016	HMDB00513	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00556	5b-Cholestane-3a,7a,12a,24,25-pentol	C27H48O5	452.35016	HMDB00556	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00558	5a-Cholestane-3a,7a,12a,23,25-pentol	C27H48O5	452.35016	HMDB00558	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02180	5b-Cholestane-3a,7a,12a,25,26-pentol	C27H48O5	452.35016	HMDB02180	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02208	Cholestane-3,7,12,24,25-pentol	C27H48O5	452.35016	HMDB02208	PFEM_hmdb_metabocards_official	NA	NA
+MJ066150	Cholestane-2,3,7,12,26-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066151	Cholestane-3,5,6,15,25-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066152	Cholestane-3,5,6,15,26-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066153	Cholestane-3,6,15,16,26-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066154	Cholestane-3,6,16,23,24-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066155	Cholestane-3,6,7,25,26-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066156	Cholestane-3,6,8,15,24-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066157	Cholestane-3,7,12,23,25-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066158	Cholestane-3,7,12,24,25-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066159	Cholestane-3,7,12,24,26-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066160	Cholestane-3,7,12,25,26-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+MJ066161	Cholestane-3,7,12,26,27-pentol 	C27H48O5	452.350174	NA	MeJP	NA	NA
+HMDB00513	5b-Cholestane-3a,7a,12a,23R,25-pentol	C27H48O5	452.350189	NA	HMDB2010	NA	NA
+HMDB00556	5b-Cholestane-3a,7a,12a,24,25-pentol	C27H48O5	452.350189	NA	HMDB2010	NA	NA
+HMDB00558	5a-Cholestane-3a,7a,12a,23,25-pentol	C27H48O5	452.350189	NA	HMDB2010	NA	NA
+HMDB02180	5b-Cholestane-3a,7a,12a,25,26-pentol	C27H48O5	452.350189	NA	HMDB2010	NA	NA
+HMDB02208	Cholestane-3,7,12,24,25-pentol	C27H48O5	452.350189	NA	HMDB2010	NA	NA
+C16890	5-alpha-Cyprinol	C27H48O5	452.3502	NA	KEGG	NA	NA
+C03313	Phylloquinol	C31H48O2	452.3654	NA	KEGG	NA	NA
+MJ066162	24-Methylenelanosta-7,9(11)-diene-3,15-diol, 3-Ketone 	C31H48O2	452.36543	NA	MeJP	NA	NA
+MJ066163	3-Methoxy-2,12-oleanadien-1-one 	C31H48O2	452.36543	NA	MeJP	NA	NA
+MJ066164	3,5-Dioxooctacosanoic acid 	C28H52O4	452.38656	NA	MeJP	NA	NA
+MJ066165	3-Hydroxyoxanonacosane-2,25-dione 	C28H52O4	452.38656	NA	MeJP	NA	NA
+MJ066166	24,24-Dimethyllanosta-9(11),25-dien-3-ol; 3?-form, 3-Ketone 	C32H52O	452.401816	NA	MeJP	NA	NA
+MJ066167	24,25-Dimethyllanosta-9(11),23-dien-3-ol, 3-Ketone 	C32H52O	452.401816	NA	MeJP	NA	NA
+MJ066168	24-Ethylcycloart-25-en-3-ol, 3-Ketone 	C32H52O	452.401816	NA	MeJP	NA	NA
+MJ066169	24-Ethylidenelanost-8-en-3-ol, 3-Ketone 	C32H52O	452.401816	NA	MeJP	NA	NA
+MJ066170	Cyclobalanone 	C32H52O	452.401816	NA	MeJP	NA	NA
+MJ066171	Wallenone 	C32H52O	452.401816	NA	MeJP	NA	NA
+MJ066172	Haliclamine B; 14,15-Dihydro 	C31H52N2	452.413049	NA	MeJP	NA	NA
+MJ066173	2-Hydroxy-21-octacosenoic acid, Me ether 	C29H56O3	452.422945	NA	MeJP	NA	NA
+MJ066174	Anapharenasoic acid 	C29H56O3	452.422945	NA	MeJP	NA	NA
+MJ066175	C33 Botryococcene 	C33H56	452.438201	NA	MeJP	NA	NA
+MJ066176	Budmunchiamine A 	C27H56N4O	452.445412	NA	MeJP	NA	NA
+MJ066177	Budmunchiamine L2 	C27H56N4O	452.445412	NA	MeJP	NA	NA
+MJ066178	1-Octacosanol; Ac 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066179	1-Tetradecanol; Hexadecanoyl 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066180	11-Hydroxy-9-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066181	2,4,6-Trimethylheptacosanoic acid 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066182	23-Hydroxy-2-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066183	23-Hydroxy-6-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066184	27-Hydroxy-6-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066185	28-Methylnonacosanoic acid 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066186	3-Hydroxy-11-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066187	5-Hydroxy-9-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066188	7-Hydroxy-4-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066189	7-Hydroxy-5-triacontanone 	C30H60O2	452.459331	NA	MeJP	NA	NA
+MJ066190	Triacontanoic acid 	C30H60O2	452.459331	NA	MeJP	NA	NA
+C08378	Hentriacontan-1-ol	C31H64O	452.4957	NA	KEGG	NA	NA
+MJ066191	1-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066192	1-Methoxy-18-methylnonacosane 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066193	1-Methoxy-2,26-dimethyloctacosane 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066194	1-Methoxy-26-methylnonacosane 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066195	10-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066196	11-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066197	12-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066198	15-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066199	16-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066200	29-Methyl-1-triacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066201	4-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066202	6-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066203	7-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066204	8-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066205	9-Hentriacontanol 	C31H64O	452.495716	NA	MeJP	NA	NA
+MJ066206	2,6-Dibromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenol 	C16H13Br2N3O3	452.932366	NA	MeJP	NA	NA
+MJ066207	Keronopsin B1; O-Sulfate 	C18H16BrNO6S	452.98817	NA	MeJP	NA	NA
+MJ066208	Palmatine chloroform; 2,3-Di-O-de-Me, 2,3-methylene ether 	C21H18Cl3NO4	453.030141	NA	MeJP	NA	NA
+C12278	Copper gluconate	CaH2O2	453.0306	NA	KEGG	NA	NA
+C12279	Transferred to D03613	CaH2O2	453.0306	NA	KEGG	NA	NA
+MJ066209	Cefivitril 	C15H15N7O4S3	453.034764	NA	MeJP	NA	NA
+MJ066210	Hydroxymethyl glucosinolate; Benzoyl 	C15H19NO11S2	453.039951	NA	MeJP	NA	NA
+MJ066211	Cefdinir; O-Carboxymethyl 	C16H15N5O7S2	453.041289	NA	MeJP	NA	NA
+C06881	Cefixime	C16H15N5O7S2	453.0413	NA	KEGG	NA	NA
+C08410	Glucoerysolin	C12H23NO11S3	453.0433	NA	KEGG	NA	NA
+MJ066212	4-(Methylsulfonyl)butyl glucosinolate 	C12H23NO11S3	453.043322	NA	MeJP	NA	NA
+MJ066213	Cryptowoline, Iodide 	C19H20INO4	453.043701	NA	MeJP	NA	NA
+C11748	Flucloxacillin	C19H17ClFN3O5S	453.0561	NA	KEGG	NA	NA
+MJ066214	Flucloxacillin 	C19H17ClFN3O5S	453.056147	NA	MeJP	NA	NA
+MJ066215	Cefcapene 	C17H19N5O6S2	453.077674	NA	MeJP	NA	NA
+MJ066216	Antibiotic PB 5266B 	C13H19N5O11S	453.080177	NA	MeJP	NA	NA
+MJ066217	Thenium(1+); 4-Chlorobenzenesulfonate 	C21H24ClNO4S2	453.083527	NA	MeJP	NA	NA
+MJ066218	Seongomycin 	C23H19NO7S	453.088222	NA	MeJP	NA	NA
+PJ001735	CCND 	C14H23N5O8S2	453.0988	NA	PeJP	NA	NA
+MJ066219	Bactobolin B 	C17H25Cl2N3O7	453.106955	NA	MeJP	NA	NA
+MJ066220	Antibiotic K 252b 	C26H19N3O5	453.13247	NA	MeJP	NA	NA
+PJ001736	SCNM 	C15H27N5O7S2	453.1352	NA	PeJP	NA	NA
+MJ066221	Maremycin E 	C23H23N3O5S	453.135841	NA	MeJP	NA	NA
+MJ066222	Propampicillin 	C23H23N3O5S	453.135841	NA	MeJP	NA	NA
+MJ066223	Aureonuclemycin; O9-Me, Me ester 	C18H23N5O9	453.149577	NA	MeJP	NA	NA
+MJ066224	Sangivamycic acid; Nitrile, 5'-O-?-D-glucopyranoside 	C18H23N5O9	453.149577	NA	MeJP	NA	NA
+PJ001737	GSSTC 	C15H27N5O9S	453.153	NA	PeJP	NA	NA
+MJ066225	6-Chloro-9-[[2-(phenylmethoxy)-1-[(phenylmethoxy)methyl]ethoxy]methyl]-9H-purin-2-amine 	C23H24ClN5O3	453.156767	NA	MeJP	NA	NA
+MJ066226	[[4-[3-[(4-Fluorophenyl)hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylphenyl]amino]oxoacetic acid, Et ester 	C25H24FNO6	453.158765	NA	MeJP	NA	NA
+MJ066227	Azotomycin 	C17H23N7O8	453.16081	NA	MeJP	NA	NA
+PJ001738	GCQF 	C19H27N5O6S	453.1682	NA	PeJP	NA	NA
+MJ066228	Staurosporine; 4'-De(methylamino), 4'-hydroxy 	C27H23N3O4	453.168856	NA	MeJP	NA	NA
+PJ001739	SSSSS 	C15H27N5O11	453.1707	NA	PeJP	NA	NA
+PJ001740	TCCK 	C16H31N5O6S2	453.1716	NA	PeJP	NA	NA
+PJ001741	GSQY 	C19H27N5O8	453.186	NA	PeJP	NA	NA
+MJ066229	Physarochrome A 	C24H27N3O6	453.189985	NA	MeJP	NA	NA
+PJ001742	SPNH 	C18H27N7O7	453.1972	NA	PeJP	NA	NA
+MJ066230	Cyanocycline D 	C23H27N5O5	453.201218	NA	MeJP	NA	NA
+MJ066231	N-[[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]glycyltyrosinamide 	C23H27N5O5	453.201218	NA	MeJP	NA	NA
+MJ066232	N-[[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]tyrosylglycinamide 	C23H27N5O5	453.201218	NA	MeJP	NA	NA
+PJ001743	GCKF 	C20H31N5O5S	453.2046	NA	PeJP	NA	NA
+MJ066233	4-[3-[[1-(Diphenylmethyl)-3-azetidinyl]oxy]-2-hydroxypropoxy]-1H-indole-2-carbonitrile 	C28H27N3O3	453.205241	NA	MeJP	NA	NA
+MJ066234	Fosfazinomycin A 	C15H32N7O7P	453.210082	NA	MeJP	NA	NA
+MJ066235	Lasubine I; 9a-Epimer, O3'-de-Me, 2-O-(4-hydroxy-3-methoxycinnamoyl) 	C26H31NO6	453.215137	NA	MeJP	NA	NA
+MJ066236	Vertine, 12,13-Dihydro, 13?-hydroxy 	C26H31NO6	453.215137	NA	MeJP	NA	NA
+MJ066237	Vertine, 5-Epimer, 12,13-dihydro, 13S-hydroxy 	C26H31NO6	453.215137	NA	MeJP	NA	NA
+MJ066238	1-[2-Chloro-4-(1-pyrrolidinyl)benzoyl]-2,3,4,5-tetrahydro-N-(1-methylethyl)-1H-1-benzazepine-5-acetamide 	C26H32ClN3O2	453.218304	NA	MeJP	NA	NA
+PJ001744	GSKY 	C20H31N5O7	453.2224	NA	PeJP	NA	NA
+MJ066239	1-[N-[3-(Benzoylamino)-2-hydroxy-4-phenylbutyl]alanyl]proline 	C25H31N3O5	453.226371	NA	MeJP	NA	NA
+MJ066240	Moiramide B 	C25H31N3O5	453.226371	NA	MeJP	NA	NA
+MJ066241	Trioxifene 	C30H31NO3	453.230393	NA	MeJP	NA	NA
+MJ066242	4-Amino-4-deoxy-?-D-rhamnopyranosyl-(1?2)-4-amino-4-deoxy-?-D-rhamnopyranosyl-(1?2)-4-amino-4-deoxy-D-rhamnose 	C18H35N3O10	453.232244	NA	MeJP	NA	NA
+MJ066243	4-Amino-4-deoxy-?-D-rhamnopyranosyl-(1?2)-4-amino-4-deoxy-?-D-rhamnopyranosyl-(1?3)-4-amino-4-deoxy-D-rhamnose 	C18H35N3O10	453.232244	NA	MeJP	NA	NA
+PJ001745	GLQH 	C19H31N7O6	453.2336	NA	PeJP	NA	NA
+MJ066244	17-Methylparsonsianidine; 16-Deoxy, stereoisomer 	C23H35NO8	453.236267	NA	MeJP	NA	NA
+MJ066245	Lasiocarpine; O3'-Ac 	C23H35NO8	453.236267	NA	MeJP	NA	NA
+MJ066246	Seldomycin 3 	C17H35N5O9	453.243477	NA	MeJP	NA	NA
+PJ001746	AAHR 	C18H31N9O5	453.2448	NA	PeJP	NA	NA
+2660	synthetic fr,of human beta-CN (140-143) ACE inhibitor	QPIP	453.246	NA	Inhouse_peptide	NA	peptide
+MJ066247	Etorphine; 3-Ac 	C27H35NO5	453.251523	NA	MeJP	NA	NA
+MJ066248	Lythrancine I 	C27H35NO5	453.251523	NA	MeJP	NA	NA
+MJ066249	Terpendole I 	C27H35NO5	453.251523	NA	MeJP	NA	NA
+PJ001747	PPLQ 	C21H35N5O6	453.2588	NA	PeJP	NA	NA
+PJ001748	GLKH 	C20H35N7O5	453.27	NA	PeJP	NA	NA
+MJ066250	Delcosine 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066251	Delectinine 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066252	Delphatine; N-De-Et 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066253	Delsoline; O16-De-Me 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066254	Delsoline; O18-De-Me 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066255	Delsoline; O6-De-Me 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066256	Deltatsine; O18-De-Me 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066257	Delterine; O6-De-Me 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066258	Neoline; 10-Hydroxy 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066259	Pubescenine; 6-Epimer, de-Ac 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066260	Senbusine C 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+MJ066261	Vaginatine 	C24H39NO7	453.272652	NA	MeJP	NA	NA
+C08676	Delcosine	C24H39NO7	453.2727	NA	KEGG	NA	NA
+2814	PEP inhibitor	KPPI	453.282	NA	Inhouse_peptide	NA	peptide
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR580	LysoPE(16:0)	[M-H]-	453.285525	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR580	LysoPE(16:0)	[M-H]-	453.285525	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR580	LysoPE(16:0)	[M-H]-	453.285525	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR580	LysoPE(16:0)	NA	453.285525	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR580	LysoPE(16:0)	[M-H]-	453.285525	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR580	LysoPE(16:0)	NA	453.285525	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR676	Lyso PC 14:0 [M-H-CH3]-	C22H46NO7P	453.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR824	Lyso PE 16:0 monoisotopic mass 	C21H44NO7P	453.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR676	Lyso PC 14:0 [M-H-CH3]-	C22H46NO7P	453.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR824	Lyso PE 16:0 monoisotopic mass 	C21H44NO7P	453.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR676	Lyso PC 14:0 [M-H-CH3]-	C22H46NO7P	453.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR824	Lyso PE 16:0 monoisotopic mass 	C21H44NO7P	453.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR676	Lyso PC 14:0 [M-H-CH3]-	C22H46NO7P	453.285542	masses lipides attendues	Inhousejuil11	NA	NA
+EUR824	Lyso PE 16:0 monoisotopic mass 	C21H44NO7P	453.285542	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11473	LysoPE(0:0/16:0)	C21H44NO7P	453.285553	NA	HMDB2010	NA	NA
+HMDB11503	LysoPE(16:0/0:0)	C21H44NO7P	453.285553	NA	HMDB2010	NA	NA
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR579	LysoPE(16:0)	[M-H]+	453.285575	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR579	LysoPE(16:0)	[M-H]+	453.285575	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR579	LysoPE(16:0)	[M-H]+	453.285575	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR579	LysoPE(16:0)	NA	453.285575	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR579	LysoPE(16:0)	[M-H]+	453.285575	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR579	LysoPE(16:0)	NA	453.285575	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ066262	Antibiotic BE 67251 	C28H39NO4	453.287908	NA	MeJP	NA	NA
+MJ066263	Sambutoxin 	C28H39NO4	453.287908	NA	MeJP	NA	NA
+MJ066264	Terpendole F 	C28H39NO4	453.287908	NA	MeJP	NA	NA
+PJ001749	PPLK 	C22H39N5O5	453.2951	NA	PeJP	NA	NA
+MJ066265	N-[2,6-Bis(1-methylethyl)phenyl]-N'-[[2-[4-(dimethylamino)phenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]urea 	C27H39N3O3	453.299142	NA	MeJP	NA	NA
+C11994	YC-17	C25H43NO6	453.309	NA	KEGG	NA	NA
+MJ066266	Antibiotic PA 133A 	C25H43NO6	453.309038	NA	MeJP	NA	NA
+MJ066267	Methymycin; 10-Deoxy 	C25H43NO6	453.309038	NA	MeJP	NA	NA
+MJ066268	Dofamium(1+); Chloride 	C25H44ClN3O2	453.312205	NA	MeJP	NA	NA
+MJ066269	Panclicins; Panclicin A 	C26H47NO5	453.345423	NA	MeJP	NA	NA
+MJ066270	Panclicins; Panclicin B 	C26H47NO5	453.345423	NA	MeJP	NA	NA
+MJ066271	Agelasimine A 	C27H43N5O	453.346761	NA	MeJP	NA	NA
+MJ066272	15-Azasterol; Ac 	C30H47NO2	453.360679	NA	MeJP	NA	NA
+MJ066273	Mycalazoles; Mycalazole 1, 7',8',10',11'-Tetrahydro 	C30H47NO2	453.360679	NA	MeJP	NA	NA
+MJ066274	Solapalmitine 	C28H59N3O	453.465813	NA	MeJP	NA	NA
+MJ066275	1,1,3,3-Tetrabromo-2-nonanone 	C9H14Br4O	453.777815	NA	MeJP	NA	NA
+7876	peptide derived from bovine b-casein (169-176)	KVLPVPQK	453.785	MH2+	Inhouse_peptide	NA	peptide
+MJ066276	2-(2,3,6-Tribromo-4,5-dihydroxybenzyl)cyclohexanone 	C13H13Br3O3	453.841482	NA	MeJP	NA	NA
+MJ066277	Rhodomelol 	C13H12Br2O8	453.889892	NA	MeJP	NA	NA
+MJ066278	Dysamide A; 1',1'',3,6-Tetradehydro(3E,6Z-) 	C14H16Cl6N2O2	453.934294	NA	MeJP	NA	NA
+MJ066279	Dysamide A; 1',1'',3,6-Tetradehydro(Z,Z-) 	C14H16Cl6N2O2	453.934294	NA	MeJP	NA	NA
+C11591	DIDS	C16H10N2O6S4	453.9422	NA	KEGG	NA	NA
+MJ066280	Nortopsentin A 	C19H12Br2N4	453.942871	NA	MeJP	NA	NA
+MJ066281	2,10-Dibromo-3-chloro-7(14)-chamigren-9-ol, Ac 	C17H25Br2ClO2	453.990983	NA	MeJP	NA	NA
+MJ066282	3,10-Dibromo-2-chloro-7(14)-chamigren-9-ol; Ac 	C17H25Br2ClO2	453.990983	NA	MeJP	NA	NA
+C13702	4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid	C17H14N2O7S3	453.9963	NA	KEGG	NA	NA
+MJ066283	5-Amino-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid; N-Ac 	C17H14N2O7S3	453.996312	NA	MeJP	NA	NA
+MJ066284	Sitaxentan 	C18H15ClN2O6S2	454.006005	NA	MeJP	NA	NA
+MJ066285	[1,1':3',1''-Terphenyl]-2,2',2'',4,4',4'',6,6',6''-nonol; 2-O-Sulfate 	C18H14O12S	454.020596	NA	MeJP	NA	NA
+C06880	Cefazolin	C14H14N8O4S3	454.03	NA	KEGG	NA	NA
+MJ066286	Cefazolin 	C14H14N8O4S3	454.030013	NA	MeJP	NA	NA
+MJ066287	Fenticonazole 	C24H20Cl2N2OS	454.067339	NA	MeJP	NA	NA
+MJ066288	Ploiarixanthone 	C26H14O8	454.068867	NA	MeJP	NA	NA
+HMDB00797	SAICAR	C13H19N4O12P	454.0737	http://www.hmdb.ca/metabolites/HMDB00797	HMDB	NA	NA
+HMDB06274	(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate	C13H19N4O12P	454.0737	http://www.hmdb.ca/metabolites/HMDB06274	HMDB	NA	NA
+C04823	1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole	C13H19N4O12P	454.0737	NA	KEGG	NA	NA
+HMDB00797	SAICAR	C13H19N4O12P	454.0737	HMDB00797	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06274	(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate	C13H19N4O12P	454.0737	HMDB06274	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00797	SAICAR	C13H19N4O12P	454.0737	NA	HMDB2010	NA	NA
+MJ066289	1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole 	C13H19N4O12P	454.073708	NA	MeJP	NA	NA
+MJ066290	N-(5-Amino-1-?-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate 	C13H19N4O12P	454.073708	NA	MeJP	NA	NA
+MetaCyc03612	5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole [(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate;1-(5-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole;5'-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole;5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole;1-(5'-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole;SAICAR;]	C13H19N4O12P1	454.073709	NA	metacyc	NA	NA
+MJ066291	Algarobin 	C19H18O13	454.07474	NA	MeJP	NA	NA
+PJ001750	CCDD 	C14H22N4O9S2	454.0828	NA	PeJP	NA	NA
+C12394	Kinamycin D	C22H18N2O9	454.1012	NA	KEGG	NA	NA
+MJ066292	Kinamycin F; 2,4-Di-Ac 	C22H18N2O9	454.10123	NA	MeJP	NA	NA
+MJ066293	1,2,4-Benzenetriol; 2-Me ether, 1-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C20H22O12	454.111126	NA	MeJP	NA	NA
+MJ066294	1,2,4-Benzenetriol; 2-Me ether, 4-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C20H22O12	454.111126	NA	MeJP	NA	NA
+MJ066295	1,3,5-Benzenetriol; O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside), mono-Me ether 	C20H22O12	454.111126	NA	MeJP	NA	NA
+MJ066296	3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one; 1'-O-(4-Hydroxy-3-methoxybenzoyl), 3-O-?-D-glucopyranoside 	C20H22O12	454.111126	NA	MeJP	NA	NA
+PJ001751	SCDM 	C15H26N4O8S2	454.1192	NA	PeJP	NA	NA
+MJ066297	Carfecillin 	C23H22N2O6S	454.119857	NA	MeJP	NA	NA
+C11752	Carfecillin	C23H22N2O6S	454.1199	NA	KEGG	NA	NA
+MJ066298	1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 1-O-?-L-Rhamnopyranoside 	C24H22O9	454.126382	NA	MeJP	NA	NA
+MJ066299	1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 12-O-?-L-Rhamnopyranoside 	C24H22O9	454.126382	NA	MeJP	NA	NA
+MJ066300	Aflavarin 	C24H22O9	454.126382	NA	MeJP	NA	NA
+MJ066301	Didymocalyxin A 	C24H22O9	454.126382	NA	MeJP	NA	NA
+MJ066302	Dihydro-5-(1-iodo-3,6,9,12,15-octadecapentaenyl)-2(3H)-furanone 	C22H31IO2	454.136873	NA	MeJP	NA	NA
+MJ066303	Paucidactine A; 21-Deoxy 	C23H22N2O8	454.137615	NA	MeJP	NA	NA
+PJ001752	ACMM 	C16H30N4O5S3	454.1379	NA	PeJP	NA	NA
+C09417	Eupachlorin acetate	C22H27ClO8	454.1394	NA	KEGG	NA	NA
+MJ066304	14-Chloro-2,5,8,10-tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl, 2-Ac 	C22H27ClO8	454.139445	NA	MeJP	NA	NA
+MJ066305	14-Chloro-2,8,10-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(4-Hydroxy-2-methyl-2Z-butenoyl), 2-Ac 	C22H27ClO8	454.139445	NA	MeJP	NA	NA
+MJ066306	15-Chloro-3,4,8-trihydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-O-(4-Acetoxy-2-methyl-2E-butenoyl) 	C22H27ClO8	454.139445	NA	MeJP	NA	NA
+MJ066307	Sirodesmin A; Monosulfide homologue, 1-epimer 	C20H26N2O8S	454.140986	NA	MeJP	NA	NA
+C10617	Sirodesmin H	C20H26N2O8S	454.141	NA	KEGG	NA	NA
+C10260	Gnetin A	C28H22O6	454.1416	NA	KEGG	NA	NA
+C10289	epsilon-Viniferin	C28H22O6	454.1416	NA	KEGG	NA	NA
+MJ066308	3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066309	Ampelopsin A, 8-Deoxy 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066310	Ampelopsin D 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066311	Ampelopsin F 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066312	Bencianol 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066313	Biseselin 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066314	Cyphostemmin A 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066315	Gnetin A 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066316	Gnetin C 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066317	Marchantin C; 2'-Hydroxy, 7'-oxo 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066318	Pallidol 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066319	Parthenocissin A 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066320	Restrytisol C 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MJ066321	?-Viniferin 	C28H22O6	454.141638	NA	MeJP	NA	NA
+MetaCyc03613	&epsilon;-viniferin []	C28H22O6	454.141638	NA	metacyc	NA	NA
+MJ066322	Angelicain, 1''-O-?-D-Glucopyranoside 	C21H26O11	454.147511	NA	MeJP	NA	NA
+MJ066323	Secoeranthin; 1''-Hydroxy, 4'-O-?-D-glucopyranoside 	C21H26O11	454.147511	NA	MeJP	NA	NA
+MJ066324	Thaxtomin A; 4''-Hydroxy 	C22H22N4O7	454.148849	NA	MeJP	NA	NA
+PJ001753	GCEF 	C19H26N4O7S	454.1522	NA	PeJP	NA	NA
+MJ066325	2-Cyano-4-(3-furyl)-7-[[6-[3-(3-hydroxy-6,8-dioxabicyclo[3.2.1]octanyl)]-2-pyridyl]methoxy]naphthalene 	C27H22N2O5	454.152871	NA	MeJP	NA	NA
+PJ001754	SSMM 	C16H30N4O7S2	454.1556	NA	PeJP	NA	NA
+MJ066326	Melithiazoles; Melithiazole B, 11?,12,14,15-Tetrahydro, 15-methoxy 	C21H30N2O5S2	454.159613	NA	MeJP	NA	NA
+MJ066327	5,10-Methenyltetrahydrofolate 	C21H22N6O6	454.160082	NA	MeJP	NA	NA
+FL3FALNP0013	5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone;KB-2	C25H26O8	454.16276	133740-64-4	knapsack	NA	NA
+FL3FFGNP0001	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone	C25H26O8	454.16276	137319-33-6	knapsack	NA	NA
+MJ066328	15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide, 6?-Tigloyloxy 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066329	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1-Et ether, 1',4-dibenzoyl, 3-Ac 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066330	5,6-Dihydroxy-8-(3,4-dihydroxyphenyl)-2,2-dimethyl-2H,10H-benzo[1,2-b:3,4-b']dipyran-10-one; 5'-Methoxy, tetra-Me ether 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066331	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(4-Methoxybenzoyl), 11-Ac 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066332	Artonin E; 2''',3'''-Dihydro, 3'''-hydroxy 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066333	Cneorin Q 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066334	Epimedokoreanin C 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066335	Lupinisoflavone E; 2'-Hydroxy 	C25H26O8	454.162767	NA	MeJP	NA	NA
+MJ066336	Parabenzlactone, O-(3-Methylbutanoyl) 	C25H26O8	454.162767	NA	MeJP	NA	NA
+PJ001755	CFW 	C23H26N4O4S	454.1675	NA	PeJP	NA	NA
+C13426	I-123 BMIPP	C22H35IO2	454.1693	NA	KEGG	NA	NA
+PJ001756	GSEY 	C19H26N4O9	454.17	NA	PeJP	NA	NA
+MJ066337	Teflutixol 	C23H26F4N2OS	454.170196	NA	MeJP	NA	NA
+C01937	Methotrexate	C20H22N8O5	454.1713	NA	KEGG	NA	NA
+MJ066338	Methotrexate 	C20H22N8O5	454.171315	NA	MeJP	NA	NA
+MetaCyc03614	methotrexate []	C20H22N8O5	454.171316	NA	metacyc	NA	NA
+MJ066339	[[3,3'-[[2-[[(1-Methylethyl)amino]methyl]-1,3-propanediyl]diimino]bis[3-methyl-2-butanone]dioximato](3-)-N,N',N'',N''']oxotechnetium 	C17H34N5O3Tc	454.17338	NA	MeJP	NA	NA
+7900	peptide from bovine b-lactoglobulin	WYS	454.174	antioxidative	Inhouse_peptide	NA	peptide
+MJ066340	Chanofruticosine methyl ester; 11,12-Methylenedioxy 	C24H26N2O7	454.174001	NA	MeJP	NA	NA
+MJ066341	Kopsijasmine, 11,12-Methylenedioxy, N4-oxide 	C24H26N2O7	454.174001	NA	MeJP	NA	NA
+MJ066342	Kopsinarine 	C24H26N2O7	454.174001	NA	MeJP	NA	NA
+MJ066343	1,6-Bis(4-hydroxybenzyl)-9,10-dihydro-2,4,7-phenanthrenetriol; 4-Me ether 	C29H26O5	454.178023	NA	MeJP	NA	NA
+MJ066344	9,10-Dihydro-2,4,7-trihydroxy-1,3-bis(4-hydroxybenzyl)phenanthrene; 4-Me ether 	C29H26O5	454.178023	NA	MeJP	NA	NA
+MJ066345	Marchantin C; 12-Hydroxy, 11-Me ether 	C29H26O5	454.178023	NA	MeJP	NA	NA
+MJ066346	Plagiochin D; 14-Hydroxy 	C29H26O5	454.178023	NA	MeJP	NA	NA
+MJ066347	Plagiochin D; 2-Hydroxy 	C29H26O5	454.178023	NA	MeJP	NA	NA
+PJ001757	SPDH 	C18H26N6O8	454.1812	NA	PeJP	NA	NA
+MJ066348	15,16-Epoxy-4,13,14,15,16-pentahydroxy-2-clerodene-17,12:18,1-diolide, 13-Epimer, 15,16-di-Me ether 	C22H30O10	454.183897	NA	MeJP	NA	NA
+MJ066349	15,16-Epoxy-4,13,14,15,16-pentahydroxy-2-clerodene-17,12:18,1-diolide, 15,16-Di-Me ether 	C22H30O10	454.183897	NA	MeJP	NA	NA
+MJ066350	Klaineanone; 6?,14?,15?-Trihydroxy, 6-Ac 	C22H30O10	454.183897	NA	MeJP	NA	NA
+PJ001758	SYW 	C23H26N4O6	454.1852	NA	PeJP	NA	NA
+PJ001759	AAMY 	C20H30N4O6S	454.1886	NA	PeJP	NA	NA
+MJ066351	Geijedimerine 	C28H26N2O4	454.189257	NA	MeJP	NA	NA
+MJ066352	Halcinonide 	C24H32ClFO5	454.19223	NA	MeJP	NA	NA
+PJ001760	GNQH 	C17H26N8O7	454.1925	NA	PeJP	NA	NA
+FL2FALNI0019	Leachianone D	C26H30O7	454.19915	140614-59-1	knapsack	NA	NA
+FL4DAENI0001	Diplacol 4'-methylether	C26H30O7	454.19915	102818-90-6	knapsack	NA	NA
+FL4DALNI0004	Kushenol I	C26H30O7	454.19915	99119-69-4	knapsack	NA	NA
+FL4DALNI0005	Kushenol N	C26H30O7	454.19915	102490-65-3	knapsack	NA	NA
+MJ066353	2',4',5,7-Tetrahydroxy-3',6-diprenylisoflavanone, 3-Hydroxy, 2'-Me ether 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066354	4',5,7-Trihydroxy-8-lavandulylflavanone, ?3''-Isomer, 5''-hydroxy, 2'-methoxy 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066355	Bicycloillicinone asarone acetal 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066356	Cneorin K; Me ether 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066357	Diplacol; 3'-Me ether 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066358	Kushenol I 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066359	Limonin; Deepoxy 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066360	Obacunol; 7-Ketone 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066361	Tajixanthone hydrate; 3'-Me ether 	C26H30O7	454.199153	NA	MeJP	NA	NA
+MJ066362	Walsuranolide 	C26H30O7	454.199153	NA	MeJP	NA	NA
+C08775	Obacunone	C26H30O7	454.1992	NA	KEGG	NA	NA
+PJ001761	APMH 	C19H30N6O5S	454.1999	NA	PeJP	NA	NA
+MJ066363	3,14-Dihydroxycard-20(22)-enolide, 3-O-Sulfate 	C23H34O7S	454.202524	NA	MeJP	NA	NA
+PJ001762	ATTY 	C20H30N4O8	454.2064	NA	PeJP	NA	NA
+MJ066364	Vincamajine; 10-Methoxy, O-Ac, N4-oxide 	C25H30N2O6	454.210386	NA	MeJP	NA	NA
+C18127	beta-Funaltrexamine	C25H30N2O6	454.2104	NA	KEGG	NA	NA
+MJ066365	[2-Ethyl-5,6,7,8-tetrahydro-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-cycloheptimidazolylidene]acetic acid 	C26H26N6O2	454.211724	NA	MeJP	NA	NA
+MJ066366	Tectol; 3,3',4,4'-Tetrahydro 	C30H30O4	454.214409	NA	MeJP	NA	NA
+PJ001763	GLEH 	C19H30N6O7	454.2176	NA	PeJP	NA	NA
+MJ066367	1,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylpropanoyl) 	C23H34O9	454.220282	NA	MeJP	NA	NA
+MJ066368	1-Hydroxy-1,10-seco-5(10),11(13)-eudesmadien-12,8-olide; 1-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H34O9	454.220282	NA	MeJP	NA	NA
+MJ066369	2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylpropanoyl) 	C23H34O9	454.220282	NA	MeJP	NA	NA
+MJ066370	3,9-Dihydroxy-7-illuden-1-one, 9-(2-O-Acetyl-?-D-glucopyranoside) 	C23H34O9	454.220282	NA	MeJP	NA	NA
+MJ066371	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-(6-O-acetyl-?-D-glucopyranoside) 	C23H34O9	454.220282	NA	MeJP	NA	NA
+MJ066372	5,6,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,8-olide, 5,9-Bis-(2-methylpropanoyl) 	C23H34O9	454.220282	NA	MeJP	NA	NA
+7548	ACE inhibitor	IWH	454.221	antioxidative	Inhouse_peptide	NA	peptide
+8003	synthetic peptide	LHW	454.221	antibacterial	Inhouse_peptide	NA	peptide
+8010	synthetic peptide	LWH	454.221	antibacterial	Inhouse_peptide	NA	peptide
+PJ001764	AAFF 	C24H30N4O5	454.2216	NA	PeJP	NA	NA
+MJ066373	Viridic acid 	C24H30N4O5	454.22162	NA	MeJP	NA	NA
+C17440	Tetrahydrogeranylgeranyl diphosphate	C20H40O7P2	454.2249	NA	KEGG	NA	NA
+MetaCyc03615	tetrahydrogeranylgeranyl-PP [tetrahydroGGPP;tetrahydrogeranylgeranyl pyrophosphate;tetrahydrogeranylgeranyl diphosphate;]	C20H40O7P2	454.224927	NA	metacyc	NA	NA
+MJ066374	Octimibate 	C29H30N2O3	454.225642	NA	MeJP	NA	NA
+MJ066375	Lidanserin 	C26H31FN2O4	454.226785	NA	MeJP	NA	NA
+MJ066376	Ribostamycin 	C17H34N4O10	454.227493	NA	MeJP	NA	NA
+MJ066377	Seldomycin 1 	C17H34N4O10	454.227493	NA	MeJP	NA	NA
+MJ066378	Xylostacin 	C17H34N4O10	454.227493	NA	MeJP	NA	NA
+C01759	Ribostamycin	C17H34N4O10	454.2275	NA	KEGG	NA	NA
+C17584	Xylostasin	C17H34N4O10	454.2275	NA	KEGG	NA	NA
+PJ001765	GNKH 	C18H30N8O6	454.2289	NA	PeJP	NA	NA
+MJ066379	Teoprolol 	C23H30N6O4	454.232853	NA	MeJP	NA	NA
+PJ001766	LHW 	C23H30N6O4	454.2329	NA	PeJP	NA	NA
+MJ066380	1,15-Dihydroxy-9,11(13)-chiloscyphadiene-8,12-dione; 15-Carboxylic acid, 1-O-(6,8-dimethyl-2,4,6-decatrienoyl)(2E,4E,6E,8?-) 	C27H34O6	454.235538	NA	MeJP	NA	NA
+MJ066381	Arisugacin E 	C27H34O6	454.235538	NA	MeJP	NA	NA
+MJ066382	Decinnamoyljolkinol B; 20-Hydroxy, 15-benzoyl 	C27H34O6	454.235538	NA	MeJP	NA	NA
+MJ066383	Scopadulcic acid A 	C27H34O6	454.235538	NA	MeJP	NA	NA
+MJ066384	Fuprazole 	C28H30N4O2	454.236876	NA	MeJP	NA	NA
+MJ066385	1'-[4-[1-(4-Fluorophenyl)-1H-indol-3-yl]butyl]spiro[isobenzofuran-1(3H),4'-piperidine] 	C30H31FN2O	454.242041	NA	MeJP	NA	NA
+PJ001767	PPLE 	C21H34N4O7	454.2428	NA	PeJP	NA	NA
+PJ001768	SVLH 	C20H34N6O6	454.254	NA	PeJP	NA	NA
+MJ066386	3,5,6,10,14,16-Grayanotoxanehexol, 6,14-Di-Ac 	C24H38O8	454.256668	NA	MeJP	NA	NA
+MJ066387	9,11,15,18-Tetrahydroxyprosta-5,13-dienoic acid, 11,18-Di-Ac 	C24H38O8	454.256668	NA	MeJP	NA	NA
+C09180	Rhodojaponin IV	C24H38O8	454.2567	NA	KEGG	NA	NA
+MJ066388	Bitipazone 	C20H38N8S2	454.266084	NA	MeJP	NA	NA
+MJ066389	17,27-Dihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066390	2,3,22-Trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 7,8?-Dihydro 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066391	4,27-Dihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066392	5,17-Dihydroxy-1-oxowitha-2,6,24-trienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066393	5,6-Epoxy-21-hydroxy-1-oxowitha-2,24-dienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066394	6,7-Epoxy-17-hydroxy-1-oxowitha-4,24-dienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066395	6,7-Epoxy-23-hydroxy-1-oxowitha-2,24-dienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066396	6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066397	7,27-Dihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066398	Azadirone; 6?-Acetoxy, 1,2-dihydro, 7-O-de-Ac 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066399	Chisocheton compound F; 6-Deacetoxy, 23-oxo 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066400	Cystoseirachromene 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066401	Daturametelin C; Demethoxy, 5?,6?-epoxide 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066402	Daturilinol 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066403	Euglobal III 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066404	Euglobal IVb 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066405	Euglobal In 2 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066406	Euglobal In1 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066407	Euglobal V 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066408	Jaborosalactone A 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066409	Jaborosalactone B 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066410	Jaborosalactone L 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066411	Macrocarpal B; 10-Deoxy, 10,14-didehydro 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066412	Macrocarpal G 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066413	Macrocarpin D 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066414	Mzikonol; 3-Ketone 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066415	Regelone 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066416	Strongylophorine 5; 19-Carboxylic acid, Ac 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066417	Usneoidol E; 14-Deoxy, 13,14-didehydro 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066418	Usneoidol E; 6Z-Isomer, 14-deoxy, 13,14-didehydro 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066419	Usneoidone 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066420	Withacoagin 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066421	Withaferin A; 27-Deoxy 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066422	Withanolide G 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066423	Withanolide P 	C28H38O5	454.271924	NA	MeJP	NA	NA
+MJ066424	Verapamil 	C27H38N2O4	454.283157	NA	MeJP	NA	NA
+HMDB01850	Verapamil	C27H38N2O4	454.28317	http://www.hmdb.ca/metabolites/HMDB01850	HMDB	NA	NA
+HMDB01850	Verapamil	C27H38N2O4	454.28317	HMDB01850	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01850	Verapamil	C27H38N2O4	454.283173	NA	HMDB2010	NA	NA
+C07188	Verapamil	C27H38N2O4	454.2832	NA	KEGG	NA	NA
+MJ066425	3,13-Clerodadiene-15,16,17-triol, 17-O-?-Xylopyranoside 	C25H42O7	454.293053	NA	MeJP	NA	NA
+MJ066426	6,13-Epoxy-4,8,9,12-eunicellanetetrol, 9-Me ether, 4,12-di-Ac 	C25H42O7	454.293053	NA	MeJP	NA	NA
+MJ066427	8,9-Dioxo-8,9-seco-15-labdanoic acid, (2-Acetylglyceryl) ester 	C25H42O7	454.293053	NA	MeJP	NA	NA
+MJ066428	8,9-Dioxo-8,9-seco-15-labdanoic acid, (3-Acetylglyceryl) ester 	C25H42O7	454.293053	NA	MeJP	NA	NA
+MJ066429	Olimycin 	C25H42O7	454.293053	NA	MeJP	NA	NA
+CJneg0608	Cholic acid [(M-H)+(HCOOH)]-	C25H41O7	454.293625	C18rt(min)=9.25 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0608	Cholic acid [(M-H)+(HCOOH)]-	C25H41O7	454.293625	C18rt(min)=9.25 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ066430	Ezlopitant 	C31H38N2O	454.298413	NA	MeJP	NA	NA
+MJ066431	16-Hydroxy-3-oxofusida-1,17(20),24-trien-21-oic acid 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066432	2,3,13-Trihydroxy-24-nor-4(23),11-ursadien-28-oic acid, 28?13 Lactone 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066433	2,3-Dihydroxy-24-nor-1,3,5(10)-friedelatrien-29-oic acid 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066434	21-Hydroxypregn-4-ene-3,20-dione; Cyclopentanepropanoyl 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066435	23-Deoxyantheridiol 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066436	4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid; 4?-form 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066437	Caloncobalactone; 21?-Hydroxy 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066438	Ceanothenic acid 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066439	Coenzyme Q; Coenzyme Q4 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066440	Cystalgerone 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066441	Eupteleogenin 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066442	Pfaffic acid; 11-Oxo 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066443	Przewanoic acid B 	C29H42O4	454.308309	NA	MeJP	NA	NA
+MJ066444	Tripterygone 	C29H42O4	454.308309	NA	MeJP	NA	NA
+HMDB06710	Ubiquinone Q4	C29H42O4	454.308319	NA	HMDB2010	NA	NA
+HMDB06710	Ubiquinone Q4	C29H42O4	454.30832	http://www.hmdb.ca/metabolites/HMDB06710	HMDB	NA	NA
+HMDB06710	Ubiquinone Q4	C29H42O4	454.30832	HMDB06710	PFEM_hmdb_metabocards_official	NA	NA
+MJ066445	Quindecamine 	C30H38N4	454.309647	NA	MeJP	NA	NA
+PJ001769	PLLL 	C23H42N4O5	454.3155	NA	PeJP	NA	NA
+HMDB02157	27-Norcholestanehexol	C26H46O6	454.329437	NA	HMDB2010	NA	NA
+MJ066446	14-Labdene-8,13-diol, 13-(6-Deoxy-?-L-idopyranoside) 	C26H46O6	454.329439	NA	MeJP	NA	NA
+HMDB02157	27-norcholestanehexol	C26H46O6	454.32944	http://www.hmdb.ca/metabolites/HMDB02157	HMDB	NA	NA
+HMDB02157	27-norcholestanehexol	C26H46O6	454.32944	HMDB02157	PFEM_hmdb_metabocards_official	NA	NA
+MJ066447	7-[5-(Decahydro-4a-hydroxy-1,2,5,5-tetramethyl-1-naphthalenyl)-3-methyl-2-pentenyl]-3,7-dihydro-2,3-dimethyl-6H-purin-6-one 	C27H42N4O2	454.330776	NA	MeJP	NA	NA
+MJ066448	1,3-Dioxo-24-friedelanal 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066449	12,15-Oleanadiene-3,28-diol, 28-Carboxylic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066450	12-Lupene-3,28-diol, 3-Ketone, 28-carboxylic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066451	12-Oleanene-3,22,24-triol, 3,22-Diketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066452	12-Oleanene-3,22,30-triol, 30-Carboxylic acid, 30?22 lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066453	12-Ursene-3,30-diol; 3?-form, 30-Carboxylic acid, 3-ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066454	14,26-Epoxy-21-hydroxy-3-serratanone, 21-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066455	15,21-Dihydroxylanosta-7,9(11),24-trien-3-one; 15?-form 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066456	16,23:24,25-Diepoxy-13(17)-protosten-3-one 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066457	2-Oxo-3-friedelen-29-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066458	20,29-Epoxy-3,21-lupanedione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066459	21-Oxo-3,4-seco-4(23),12-oleanadien-3-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066460	21-Oxo-3,4-seco-4(23),12-ursadien-3-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066461	22-Hydroxytirucalla-7,24-diene-3,23-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066462	23-Hydroxy-3-oxo-20,24-dammaradien-26-al 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066463	24,25-Epoxylanosta-7,9(11)-diene-3,26-diol, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066464	25,26-Epoxy-1,3-friedelanedione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066465	26-Hydroxy-1,3-friedelanedione; 26-Aldehyde 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066466	28,30-Dihydroxy-3-friedelanone; 30-Carboxylic acid, 30?28 lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066467	28-Hydroxy-12-oleanene-3,11-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066468	28-Hydroxy-20(29)-lupene-3,7-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066469	3,11-Dihydroxy-12-ursen-28-oic acid, 3,11-Diketone, 28-alcohol 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066470	3,13-Dihydroxy-11-oleanen-28-oic acid, 28?13 Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066471	3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066472	3,15-Dihydroxy-12-oleanen-28-oic acid, 28?15 Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066473	3,15-Dihydroxy-27-friedelanoic acid, 3-Ketone, 27?15 lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066474	3,16-Dihydroxy-7,9(11)-fernadien-12-one 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066475	3,16-Dihydroxyeupha-7,24-dien-21-oic acid, (21?16)-Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066476	3,21-Dihydroxy-12-oleanen-28-oic acid, 28?21 Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066477	3,21-Dihydroxy-20(29)-lupen-28-oic acid, 28?21 Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066478	3,22-Dihydroxy-12-oleanen-29-oic acid, 29?22 Lactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066479	3,23-Dihydroxy-5,12-oleanadien-16-one 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066480	3,25-Epoxy-25-hydroxy-14-taraxeren-1-one 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066481	3,29-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066482	3,7-Dihydroxy-8-fernen-11-one, 7-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066483	3-Hydroxy-11,13(18)-oleanadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066484	3-Hydroxy-11,13(18)-oleanadien-30-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066485	3-Hydroxy-11-oxolanosta-8,24-dien-26-al 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066486	3-Hydroxy-12,18-ursadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066487	3-Hydroxy-12,19(29)-ursadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066488	3-Hydroxy-12,19-ursadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066489	3-Hydroxy-12,20(30)-ursadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066490	3-Hydroxy-12,21-ursadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066491	3-Hydroxy-12-oleanen-27-oic acid; 3?-form, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066492	3-Hydroxy-12-oleanen-29-oic acid; 3?-form, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066493	3-Hydroxy-12-oleanen-30-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066494	3-Hydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066495	3-Hydroxy-16,17-secodammara-17(20),22,24-trien-16,18-olide 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066496	3-Hydroxy-18,20-ursadien-28-oic acid; 3?-form 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066497	3-Hydroxy-18-oleanen-28-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066498	3-Hydroxy-20(29)-lupen-28-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066499	3-Hydroxy-4,14-dimethylergosta-8,24(28)-diene-7,11-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066500	3-Hydroxy-4,4,17-trimethylcholesta-8,14,24-trien-26-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066501	3-Hydroxy-5,12-oleanadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066502	3-Hydroxy-7,9(11)-multifloradien-29-oic acid; 3?-form 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066503	3-Hydroxy-7-bauren-28-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066504	3-Hydroxy-8-multifloren-29-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066505	3-Hydroxy-9(11),12-oleanadien-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066506	3-Hydroxy-9(11),12-oleanadien-30-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066507	3-Hydroxycycloartan-26,23-olide, 24,25-Didehydro 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066508	3-Hydroxylanost-8-en-26,22-olide, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066509	3-Hydroxylanosta-5,24-dien-26,22-olide 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066510	3-Hydroxylanosta-7,24-dien-26,23-olide 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066511	3-Hydroxylanosta-7,9(11),24-trien-21-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066512	3-Hydroxylanosta-7,9(11),24-trien-26-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066513	3-Hydroxylanosta-8,24-dien-26-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066514	3-Hydroxylanosta-8,24-dien-30-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066515	3-Hydroxylanosta-9(11),24-dien-26,22-olide 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066516	3-Hydroxytirucalla-7,22,24-trien-26-oic acid; 3?-form 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066517	3-Hydroxytirucalla-7,24-dien-21-oic acid; 3?-form, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066518	3-Hydroxytirucalla-8,24-dien-21-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066519	3-Hydroxytirucalla-8,24-dien-26-oic acid, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066520	3-Oxo-12-oleanen-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066521	3-Oxo-19(21)-lupen-28-al; 28-Carboxylic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066522	3-Oxo-20(30)-ursen-28-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066523	3-Oxo-9(11)-lupen-28-al; 28-Carboxylic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066524	3-Oxocycloart-24-en-26-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066525	3-Oxolanost-7-en-26,23-olide 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066526	3-Oxolanosta-7,24-dien-26-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066527	3-Oxolanosta-8,24-dien-21-oic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066528	3-Oxolanosta-9(11),24-dien-26-oic acid; 24Z-form 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066529	6,26-Dihydroxy-20,24-dammaradien-3-one, 26-Aldehyde 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066530	6-Hydroxy-12-oleanene-3,11-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066531	6-Hydroxy-20(29)-lupene-3,21-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066532	6-Hydroxytirucalla-7,24-diene-3,23-dione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066533	7-Hydroxy-3-oxolanosta-8,24-dien-26-al 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066534	Bacogenin A3 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066535	Cneorin NP36 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066536	Echinodol; Deacetyl, 3-ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066537	Eupha-7,24-diene-3,21,26-triol, 21-Aldehyde, 3-ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066538	Flindissol; 21-Oxo 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066539	Flindissol; 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066540	Hippospongic acid A 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066541	Holosta-7,25-dien-3-ol 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066542	Lanosta-7,9(11),24-triene-3,26,27-triol, 3-Ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066543	Mokupalide; 30-Hydroxy 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066544	Monacanthic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066545	Mudanpinoic acid 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066546	Neospirosupinanetrione 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066547	Secocalcitol 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066548	Seychellogenin 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066549	Sodwanone C 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066550	Swertialactone D 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066551	Thysanolactone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066552	Tirucalla-7,24-diene-3,23,29-triol, 29-Aldehyde, 23-ketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066553	Tirucalla-7,24-diene-3,23,29-triol, 3,23-Diketone 	C30H46O3	454.344695	NA	MeJP	NA	NA
+MJ066554	Holarrhenine; N3-De-Me, O12-(4-methyl-3-pentenoyl) 	C29H46N2O2	454.355928	NA	MeJP	NA	NA
+MJ066555	12-Ursen-3-ol, Formyl 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066556	13(18)-Oleanen-3-ol, 3-O-Formyl 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066557	13-Serratene-3,21-diol, 3-Ketone, 21-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066558	14-Serratene-3,21-diol, 3-Ketone, 21-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066559	14-Serratene-3,21-diol, 21-Ketone, 3-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066560	14-Serratene-3,21-diol, 3-Ketone, 21-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066561	14-Serratene-3,21-diol, 21-Ketone, 3-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066562	24-Isopropenyl-25-methylcholesta-5,22-diene-3,7-diol 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066563	24-Methylene-3,4-secocycloart-4(28)-en-3-oic acid 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066564	24-Methylenelanost-8-ene-3,21-diol, 21-Aldehyde 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066565	24-Methylenelanosta-7,9(11)-diene-3,15-diol 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066566	25-Hydroxytirucalla-7,23-dien-3-one, Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066567	26-Hydroxy-24-methylenecycloartan-3-one 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066568	28-Nor-12-ursen-3-ol, Ac 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066569	30-Nor-20-taraxasten-3-ol, Ac 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066570	4,28-Hentriacontadiene-2,30-diynoic acid 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066571	4,8,12-Trimethyl-3,7,11-tridecatrienoic acid; 3,7,11-Trimethyl-2,6,10-dodecatrienyl ester 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066572	4-Methylergosta-7,25-dien-3-ol, Ac 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066573	9(11)-Fernene-3,12-diol, 12-Ketone, 3-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066574	Cycloart-23-ene-3,25-diol, 3-Ketone, 25-Me ether 	C31H50O2	454.38108	NA	MeJP	NA	NA
+MJ066575	Saraine 2 	C30H50N2O	454.392314	NA	MeJP	NA	NA
+MJ066576	Tryptamine; Nb-Eicosanoyl 	C30H50N2O	454.392314	NA	MeJP	NA	NA
+MJ066577	14,15-Epoxy-2,3,6,10,15,18,23-heptamethyl-19-methylene-1,6,10,22-tetracosatetrane 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066578	24,24-Dimethylcycloartan-3-ol, 25,26-Didehydro 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066579	24,24-Dimethyllanosta-7,25-dien-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066580	24,24-Dimethyllanosta-9(11),25-dien-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066581	24,25-Dimethyllanosta-9(11),23-dien-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066582	24-Ethyl-4,14,24-trimethyl-9,19-cyclocholest-25-en-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066583	24-Ethylcycloart-25-en-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066584	24-Ethylidene-3-cycloartanol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066585	24-Ethylidenelanost-8-en-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066586	24-Ethylidenelanost-9(11)-en-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066587	24-Ethyllanosta-9(11),25-dien-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066588	25-Methyl-24-methylenecycloartan-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066589	26,27-Dimethyl-26-methylenestigmast-7-en-3-ol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066590	Cyclohomonervilol 	C32H54O	454.417466	NA	MeJP	NA	NA
+MJ066591	1,11-Triacontanediol 	C30H62O2	454.474981	NA	MeJP	NA	NA
+MJ066592	1,30-Triacontanediol 	C30H62O2	454.474981	NA	MeJP	NA	NA
+MJ066593	10,11-Triacontanediol 	C30H62O2	454.474981	NA	MeJP	NA	NA
+MJ066594	6,11-Triacontanediol 	C30H62O2	454.474981	NA	MeJP	NA	NA
+MJ066595	6,8-Triacontanediol 	C30H62O2	454.474981	NA	MeJP	NA	NA
+MJ066596	7,9-Triacontanediol 	C30H62O2	454.474981	NA	MeJP	NA	NA
+MJ066597	Pyrrolomycin F; Pyrrolomycin F2a 	C11H5Br3ClNO2	454.755894	NA	MeJP	NA	NA
+MJ066598	Pyrrolomycin F; Pyrrolomycin F2b 	C11H5Br3ClNO2	454.755894	NA	MeJP	NA	NA
+MJ066599	Convolutamine D 	C13H16Br3NO2	454.873116	NA	MeJP	NA	NA
+MJ066600	3,4-Dihydroxybenzyl glucosinolate; 3-Me ether 	C15H21NO11S2	455.055601	NA	MeJP	NA	NA
+C06885	Cefotaxime	C16H17N5O7S2	455.0569	NA	KEGG	NA	NA
+MJ066601	Cefotaxime 	C16H17N5O7S2	455.056939	NA	MeJP	NA	NA
+MJ066602	Clevidipine 	C21H23Cl2NO6	455.090242	NA	MeJP	NA	NA
+MJ066603	Sporidesmin F 	C19H22ClN3O6S	455.091783	NA	MeJP	NA	NA
+PJ001770	CCCQ 	C14H25N5O6S3	455.0967	NA	PeJP	NA	NA
+MJ066604	Riboflavine; 5'-Phosphate 	C17H20N4O9P	455.096789	NA	MeJP	NA	NA
+PJ001771	GSSCC 	C14H25N5O8S2	455.1145	NA	PeJP	NA	NA
+MJ066605	Apafant 	C22H22ClN5O2S	455.118273	NA	MeJP	NA	NA
+8226	antioxidative peptide	MWC	455.1194	NA  ;SYN:(-)-beta-Phenylalanine; (L)-Phenylalanine; (S)-(-)-Phenylalanine; (S)-2-Amino-3-phenylpropionate; (S)-2-Amino-3-phenylpropionic acid; (S)-2-amino-3-phenylpropanoate; (S)-2-amino-3-phenylpropanoic acid; (S)-Phenylalanine; (S)-alpha-Amino-benzenepropanoate; (S)-alpha-Amino-benzenepropanoic acid; (S)-alpha-Amino-beta-phenylpropionate; (S)-alpha-Amino-beta-phenylpropionic acid; (S)-alpha-Aminobenzenepropanoate; (S)-alpha-Aminobenzenepropanoic acid; (S)-alpha-Aminohydrocinnamate; (S)-alpha-Aminohydrocinnamic acid; 3-Phenyl-L-alanine; L-2-Amino-3-phenylpropionate; L-2-Amino-3-phenylpropionic acid; Phe; Phenylalamine; Phenylalanine; alpha-Aminohydrocinnamate; alpha-Aminohydrocinnamic acid; beta-Phenyl-L-alanine; beta-Phenyl-alpha-alanine; beta-Phenylalanine; phenyl-AlanineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ066606	Aristolactam I; N-?-D-Glucopyranoside 	C23H21NO9	455.121631	NA	MeJP	NA	NA
+PJ001772	CCCK 	C15H29N5O5S3	455.1331	NA	PeJP	NA	NA
+MJ066607	10-[3-[4-(2-Chloroethyl)-1-piperazinyl]propyl]-2-(trifluoromethyl)-10H-phenothiazine 	C22H25ClF3N3S	455.14098	NA	MeJP	NA	NA
+PJ001773	GCNY 	C18H25N5O7S	455.1475	NA	PeJP	NA	NA
+MJ066608	Staurosporine; 4'-De(methylamino), 4',7-dihydroxy, O-de-Me 	C26H21N3O5	455.14812	NA	MeJP	NA	NA
+HMDB01354	5,10-Methenyltetrahydrofolic acid	C20H21N7O6	455.15533	http://www.hmdb.ca/metabolites/HMDB01354	HMDB	NA	NA
+HMDB01354	5,10-Methenyltetrahydrofolic acid	C20H21N7O6	455.15533	HMDB01354	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01354	5,10-Methenyltetrahydrofolic acid	C20H21N7O6	455.155334	NA	HMDB2010	NA	NA
+MJ066609	Antibiotic Sch 38519 	C24H25NO8	455.158016	NA	MeJP	NA	NA
+MJ066610	Gymnastatin C; 6,10-Dideoxy, 6,7,9,10-tetradehydro, O2-de-Me 	C23H31Cl2NO4	455.163013	NA	MeJP	NA	NA
+PJ001774	GNEH 	C17H25N7O8	455.1765	NA	PeJP	NA	NA
+3297	NA	YHH	455.179	celiac toxic	Inhouse_peptide	NA	peptide
+7914	synthetic peptide	HYH	455.179	antioxidative	Inhouse_peptide	NA	peptide
+7917	synthetic peptide	HHY	455.179	antioxidative	Inhouse_peptide	NA	peptide
+MJ066611	3-(2-Hydroxyethyl)indole; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H29NO10	455.179146	NA	MeJP	NA	NA
+MJ066612	Aminoquinol 	C26H31Cl2N3	455.189503	NA	MeJP	NA	NA
+PJ001775	NHW 	C21H25N7O5	455.1917	NA	PeJP	NA	NA
+MJ066613	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxybenzoyl), 6-O-benzoyl 	C25H29NO7	455.194402	NA	MeJP	NA	NA
+PJ001776	PPNE 	C19H29N5O8	455.2016	NA	PeJP	NA	NA
+C17701	Gentamicin A2	C17H33N3O11	455.2115	NA	KEGG	NA	NA
+C18002	5-Ribosylparomamine	C17H33N3O11	455.2115	NA	KEGG	NA	NA
+MJ066614	Antibiotic LL-BM 408 	C17H33N3O11	455.211508	NA	MeJP	NA	NA
+MJ066615	Antibiotic S-11-A 	C17H33N3O11	455.211508	NA	MeJP	NA	NA
+MJ066616	Gentamicin A2 	C17H33N3O11	455.211508	NA	MeJP	NA	NA
+MJ066617	Inosamycin E 	C17H33N3O11	455.211508	NA	MeJP	NA	NA
+MJ066618	Paromamine; O5-?-D-Xylofuranosyl 	C17H33N3O11	455.211508	NA	MeJP	NA	NA
+PJ001777	GDKH 	C18H29N7O7	455.2129	NA	PeJP	NA	NA
+MJ066619	Heliosupine; 3'-Ac, N-oxide 	C22H33NO9	455.215531	NA	MeJP	NA	NA
+MJ066620	Parsonsianidine 	C22H33NO9	455.215531	NA	MeJP	NA	NA
+MJ066621	Parsonsine; 16?-Hydroxy 	C22H33NO9	455.215531	NA	MeJP	NA	NA
+MJ066622	Parsonsine; N-Oxide 	C22H33NO9	455.215531	NA	MeJP	NA	NA
+PJ001778	GPPW 	C23H29N5O5	455.2169	NA	PeJP	NA	NA
+PJ001779	GSHR 	C17H29N9O6	455.2241	NA	PeJP	NA	NA
+MJ066623	7-[2-Hydroxy-5-oxo-4-[(2,4,6-trimethyl-1-oxo-2,4-decadienyl)amino]-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-2,4,6-heptatrienoic acid 	C26H33NO6	455.230787	NA	MeJP	NA	NA
+MJ066624	Lacidipine 	C26H33NO6	455.230787	NA	MeJP	NA	NA
+MJ066625	Mycotrienol II; Quinone 	C26H33NO6	455.230787	NA	MeJP	NA	NA
+MJ066626	Piprofurol 	C26H33NO6	455.230787	NA	MeJP	NA	NA
+MJ066627	Venudelphine 	C26H33NO6	455.230787	NA	MeJP	NA	NA
+MJ066628	Lipoxin C4; N-Deglutamyl, C-deglycyl 	C23H37NO6S	455.234158	NA	MeJP	NA	NA
+MetaCyc03616	20-hydroxy-leukotriene-E4 []	C23H37N1O6S1	455.234159	111844-33-8	metacyc	NA	NA
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	HMDB	NA	NA
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	Inhouse_PFEM	NA	NA
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.234161	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.2342	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.2342	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.2342	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR147	20-OH-leukotriene E4	C23H37NO6S	455.2342	Wishlist	Inhousejuil11	NA	NA
+C03577	20-Hydroxyleukotriene E4	C23H37NO6S	455.2342	NA	KEGG	NA	NA
+C03578	23,24-Dihydrocucurbitacin	C31H45O8R	455.2342	NA	KEGG	NA	NA
+MJ066629	Flezelastine 	C29H30FN3O	455.23729	NA	MeJP	NA	NA
+PJ001780	PPDK 	C20H33N5O7	455.238	NA	PeJP	NA	NA
+PJ001781	SPPR 	C19H33N7O6	455.2493	NA	PeJP	NA	NA
+2622	synthetic fr,of human beta-CN (65-68) ACE inhibitor	NILP	455.2629	NA	Inhouse_peptide	NA	peptide
+PJ001782	PVLQ 	C21H37N5O6	455.2744	NA	PeJP	NA	NA
+MJ066630	Moxilubant 	C26H37N3O4	455.278406	NA	MeJP	NA	NA
+PJ001783	APLR 	C20H37N7O5	455.2856	NA	PeJP	NA	NA
+CJneg0609	Cholic acid [(M-H)+(HCOOH)]- (13C)	C2413CH41O7	455.296925	C18rt(min)=9.25 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0609	Cholic acid [(M-H)+(HCOOH)]- (13C)	C2413CH41O7	455.296925	C18rt(min)=9.25 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+8183	ACE Inhibitor	VIKP	455.298	antibacterial	Inhouse_peptide	NA	peptide
+MJ066631	Piericidin; Antibiotic IT 143B 	C28H41NO4	455.303558	NA	MeJP	NA	NA
+PJ001784	PVLK 	C22H41N5O5	455.3108	NA	PeJP	NA	NA
+MJ066632	16,28-Secosolanida-5,22(28)-diene-3,16-diol, 16-Ac 	C29H45NO3	455.339944	NA	MeJP	NA	NA
+MJ066633	Leptinidine; 23-Ac 	C29H45NO3	455.339944	NA	MeJP	NA	NA
+MJ066634	Radpetine 	C29H45NO3	455.339944	NA	MeJP	NA	NA
+MJ066635	Spirosol-5-en-3-ol, O-Ac 	C29H45NO3	455.339944	NA	MeJP	NA	NA
+MJ066636	Agelasimine B 	C27H45N5O	455.362411	NA	MeJP	NA	NA
+HMDB06460	Arachidyl carnitine	C27H53NO4	455.39746	http://www.hmdb.ca/metabolites/HMDB06460	HMDB	NA	NA
+HMDB06460	Arachidyl carnitine	C27H53NO4	455.39746	HMDB06460	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06460	Arachidyl carnitine	C27H53NO4	455.397461	NA	HMDB2010	NA	NA
+8143	peptide derived from wheat gluten	LQPGQGQQG	455.7155	MH2+	Inhouse_peptide	NA	peptide
+C18180	1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18181	Growth hormone	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18182	Thyroid stimulating hormone	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18183	Luteinizing hormone	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18184	Follicle stimulating hormone	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18185	Chorionic gonadotropin	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18186	Gastrin-14	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18187	Gastrin-34	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18188	Leptin	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18189	Adiponectin	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+C18190	Resistin	C12Cl8O2	455.7407	NA	KEGG	NA	NA
+MJ066637	3,4-Dibromo-5-hydroxymethyl-1,2-benzenediol; 1,2-Disulfate ester 	C7H6Br2O9S2	455.781998	NA	MeJP	NA	NA
+MJ066638	Palisadin B; 12-Bromo 	C15H23Br3O	455.929903	NA	MeJP	NA	NA
+MJ066639	Palisadin B; ?3(12)-Isomer, 4?-bromo 	C15H23Br3O	455.929903	NA	MeJP	NA	NA
+MJ066640	Dysamide A; 1',3-Didehydro(E-) 	C14H18Cl6N2O2	455.949944	NA	MeJP	NA	NA
+MJ066641	Dysamide A; 1',3-Didehydro(Z-) 	C14H18Cl6N2O2	455.949944	NA	MeJP	NA	NA
+MJ066642	Melarsonyl 	C13H13AsN6O4S2	455.965565	NA	MeJP	NA	NA
+MJ066643	Dioxation 	C12H26O6P2S4	456.008744	NA	MeJP	NA	NA
+C15352	6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one	C20H26Br2O2	456.03	NA	KEGG	NA	NA
+MJ066644	3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-?-D-Xylopyranosyl 	C23H18Cl2N2O4	456.064362	NA	MeJP	NA	NA
+PJ001785	CCCE 	C14H24N4O7S3	456.0807	NA	PeJP	NA	NA
+MJ066645	5-Methyl 3-(1-methylethyl) 2-[[(aminocarbonyl)oxy]methyl]-4-(2,3-dichlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate 	C20H22Cl2N2O6	456.085491	NA	MeJP	NA	NA
+MJ066646	Phlomiol; 7-Epimer, 7-deoxy, 7-chloro 	C17H25ClO12	456.103453	NA	MeJP	NA	NA
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR443	Flavine Mononucléotide F1	NA	456.104275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR443	Flavine Mononucleotide F1	NA	456.104275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.1046	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.1046	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.1046	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.1046	Wishlist	Inhousejuil11	NA	NA
+C00061	FMN	C17H21N4O9P	456.1046	NA	KEGG	NA	NA
+HMDB01520	Flavin Mononucleotide	C17H21N4O9P	456.10461	http://www.hmdb.ca/metabolites/HMDB01520	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01520	Flavin Mononucleotide	C17H21N4O9P	456.10461	http://www.hmdb.ca/metabolites/HMDB01520	HMDB	NA	NA
+HMDB01520	Flavin Mononucleotide	C17H21N4O9P	456.10461	http://www.hmdb.ca/metabolites/HMDB01520	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01520	Flavin Mononucleotide	C17H21N4O9P	456.10461	HMDB01520	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01520	Flavin Mononucleotide	C17H21N4O9P	456.104614	NA	HMDB2010	NA	NA
+MJ066647	FMN 	C17H21N4O9P	456.104614	NA	MeJP	NA	NA
+MetaCyc03617	FMN [flavin mononucleotide;]	C17H21N4O9P1	456.104615	146-17-8	metacyc	NA	NA
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	HMDB	NA	NA
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	Inhouse_PFEM	NA	NA
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR203	Flavin Mononucleotide	C17H21N4O9P	456.104619	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+FL5FFANS0024	3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C23H20O10	456.10564	117155-59-6	knapsack	NA	NA
+FL63ACNS0009	Epicatechin 3-O-(3-O-methylgallate)	C23H20O10	456.10564	83104-86-3	knapsack	NA	NA
+FL63ACNS0010	Epicatechin 3-O-(4-O-methylgallate)	C23H20O10	456.10564	108907-44-4	knapsack	NA	NA
+FL63AGNS0016	Epigallocatechin 3-O-vanillate	C23H20O10	456.10564	173484-93-0	knapsack	NA	NA
+MJ066648	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxy-3-methoxybenzoyl) 	C23H20O10	456.105646	NA	MeJP	NA	NA
+MJ066649	3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,4-Dihydroxy-5-methoxybenzoyl) 	C23H20O10	456.105646	NA	MeJP	NA	NA
+MJ066650	3,3',4',5,7-Pentahydroxyflavan, 3-O-(3,5-Dihydroxy-4-methoxybenzoyl) 	C23H20O10	456.105646	NA	MeJP	NA	NA
+MJ066651	Isoplagiochin C; 6'-Chloro 	C28H21ClO4	456.112836	NA	MeJP	NA	NA
+PJ001786	TCCM 	C15H28N4O6S3	456.1171	NA	PeJP	NA	NA
+MJ066652	Mulberrofuran R 	C27H20O7	456.120902	NA	MeJP	NA	NA
+MJ066653	7-Hydroxy-2H-1-benzopyran-2-one; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H24O12	456.126776	NA	MeJP	NA	NA
+MJ066654	Asperuloside; 6'-Ac 	C20H24O12	456.126776	NA	MeJP	NA	NA
+PJ001787	GCDY 	C18H24N4O8S	456.1315	NA	PeJP	NA	NA
+C10886	Steganacin	C24H24O9	456.142	NA	KEGG	NA	NA
+MJ066655	4-[3-[[(3-Methoxy-5-methylpyrazinyl)amino]sulfonyl]-2-pyridinyl]-?,?-dimethylbenzenepropanoic acid 	C22H24N4O5S	456.14674	NA	MeJP	NA	NA
+PJ001788	GCMF 	C19H28N4O5S2	456.1501	NA	PeJP	NA	NA
+MJ066656	Osutidine 	C19H28N4O5S2	456.150111	NA	MeJP	NA	NA
+MJ066657	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2-Ac 	C22H33BrO5	456.151136	NA	MeJP	NA	NA
+MJ066658	Isoparguerol 	C22H33BrO5	456.151136	NA	MeJP	NA	NA
+MJ066659	9-Benzoyl-2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-5-phenyl-7H-furo[3,2-g]-1-benzopyran-7-one; 3-Deoxy 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066660	Anibadimer A 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066661	Furostilbestrol 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066662	Gnetin B 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066663	Gnetin F 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066664	Marchantin C; 2',12-Dihydroxy 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066665	Marchantin C; 2',7'?-Dihydroxy 	C28H24O6	456.157288	NA	MeJP	NA	NA
+MJ066666	Marchantin C; 2',7-Dihydroxy 	C28H24O6	456.157288	NA	MeJP	NA	NA
+PJ001789	GDEH 	C17H24N6O9	456.1605	NA	PeJP	NA	NA
+MetaCyc03618	5,10-methenyl-THF [n5-n10-CH-THF;n5-n10-methenyltetrahydrofolate;CH-THF;5,10-methenyltetrahydrofolate;anhydroleucovorin;methenyl-tetrahydrofolate;methenyl-THF;methenyl-H4F;]	C20H22N7O6	456.163156	7444-29-3	metacyc	NA	NA
+MJ066667	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 5,8,10-Tri-Ac 	C21H28O11	456.163161	NA	MeJP	NA	NA
+MJ066668	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(3-?-D-Glucopyranosyloxy-2-hydroxy-3-methylbutyl) 	C21H28O11	456.163161	NA	MeJP	NA	NA
+MJ066669	Deacylchelonanthoside; O-Tigloyl 	C21H28O11	456.163161	NA	MeJP	NA	NA
+C00445	5,10-Methenyltetrahydrofolate	C20H22N7O6	456.1632	NA	KEGG	NA	NA
+MJ066670	Antibiotic OF 4949; Antibiotic OF 4949IV 	C22H24N4O7	456.164499	NA	MeJP	NA	NA
+MJ066671	Kalihinol X; 5-Isothiocyanate 	C22H33ClN2O2S2	456.167197	NA	MeJP	NA	NA
+PJ001790	GSMY 	C19H28N4O7S	456.1679	NA	PeJP	NA	NA
+MJ066672	Tyraminoporphine 	C27H24N2O5	456.168521	NA	MeJP	NA	NA
+PJ001791	DHW 	C21H24N6O6	456.1758	NA	PeJP	NA	NA
+FL3FEGNI0001	2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one	C25H28O8	456.17841	194735-90-5	knapsack	NA	NA
+FL5FALNI0002	Kushenol G	C25H28O8	456.17841	99119-71-8	knapsack	NA	NA
+FL5FFCNI0004	3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone	C25H28O8	456.17841	114371-87-8	knapsack	NA	NA
+FLIAAANF0003	Lupinisoflavone M	C25H28O8	456.17841	128700-28-7	knapsack	NA	NA
+MJ066673	15,16-Epoxy-1-oxo-2,13(16),14-clerodatriene-17,12:18,19-diolide, 2,3-Dihydro, 6?-angeloyloxy 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066674	3',4',5,5',6,7-Hexahydroxyflavone; 4'-O-(3-Methyl-2-butenyl), 3',5,5',6,7-penta-Me ether 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066675	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-(3-Methyl-2-butenyl), 3,3',4',5,8-penta-Me ether 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066676	Cneorin D 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066677	Cneorin F; 8?,9-Dihydro, 9-oxo 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066678	Cneorin F; 8?,9?-Epoxide 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066679	Cneorin F; 8?,9-Dihydro, 9-oxo 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066680	Cneorin K; 8,9-Dihydro,8?,9?-epoxide 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066681	Colensoic acid; 2'-Oxo 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066682	Dehydroaustinol 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066683	Drummondin B 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066684	Falconensin A; Bis(dechloro), 8-Ac 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066685	Kushenol C; 4'',5''-Dihydro, 5-hydroxy 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066686	Lupinisoflavone M 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066687	Norlobaric acid; 3-Me ether 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066688	Norlobaric acid; Me ester 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066689	Oxokadsurane; Propanoyl 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066690	Prasanthalin 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066691	Sigmoidin D; 4'?-Hydroxy, 8'-O-(3-methyl-2-butenyl) 	C25H28O8	456.178417	NA	MeJP	NA	NA
+MJ066692	Tricoccin S2 	C25H28O8	456.178417	NA	MeJP	NA	NA
+PJ001792	PTCH 	C18H28N6O6S	456.1791	NA	PeJP	NA	NA
+MJ066693	Antibiotic K 252c; N13-(3-Amino-2,3,6-trideoxy-5-hydroxy-erythro-hexopyrano-5-ulosyl) 	C26H24N4O4	456.179755	NA	MeJP	NA	NA
+MJ066694	6-Deoxy-?-L-altropyranosyl-(1?2)-6-deoxy-?-L-altropyranosyl-(1?3)-6-deoxy-L-altrose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066695	?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066696	?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066697	?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-D-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066698	Viridotriose C; 6-Deoxy 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066699	?-D-Rhamnopyranosyl-(1?2)-?-D-rhamnopyranosyl-(1?3)-D-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066700	?-D-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066701	?-D-Rhamnopyranosyl-(1?3)-?-D-rhamnopyranosyl-(1?2)-D-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066702	?-D-Rhamnopyranosyl-(1?3)-?-D-rhamnopyranosyl-(1?3)-D-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066703	?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-6-deoxy-D-glucose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066704	?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066705	?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066706	?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066707	?-L-Rhamnopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066708	?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+MJ066709	?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose 	C18H32O13	456.184291	NA	MeJP	NA	NA
+PJ001793	SSTY 	C19H28N4O9	456.1856	NA	PeJP	NA	NA
+PJ001794	PPDE 	C19H28N4O9	456.1857	NA	PeJP	NA	NA
+MJ066710	11,12-Methylenedioxykopsinaline; N-Methoxycarbonyl 	C24H28N2O7	456.189651	NA	MeJP	NA	NA
+MJ066711	Kopsaporine; 12-Methoxy 	C24H28N2O7	456.189651	NA	MeJP	NA	NA
+MJ066712	Kopsidasine; N4-Oxide 	C24H28N2O7	456.189651	NA	MeJP	NA	NA
+MJ066713	Novacine; 19?,20?-Epoxide, 15-hydroxy 	C24H28N2O7	456.189651	NA	MeJP	NA	NA
+MJ066714	Singapurensine A; Me ether 	C24H28N2O7	456.189651	NA	MeJP	NA	NA
+MJ066715	Benastatin C 	C29H28O5	456.193674	NA	MeJP	NA	NA
+MJ066716	Bulbocodin C 	C29H28O5	456.193674	NA	MeJP	NA	NA
+MJ066717	Perrottetin E; 10'-Hydroxy, 11-Me ether 	C29H28O5	456.193674	NA	MeJP	NA	NA
+MJ066718	Perrottetin E; 11'-Me ether, 14-hydroxy 	C29H28O5	456.193674	NA	MeJP	NA	NA
+MJ066719	Perrottetin E; 3'-Hydroxy, 2'-Me ether 	C29H28O5	456.193674	NA	MeJP	NA	NA
+MJ066720	Shanciguol; 3-Me ether 	C29H28O5	456.193674	NA	MeJP	NA	NA
+MJ066721	Delavirdine 	C22H28N6O3S	456.194359	NA	MeJP	NA	NA
+C06941	Delavirdine	C22H28N6O3S	456.1944	NA	KEGG	NA	NA
+C06942	Transferred to D00290	C22H28N6O3S	456.1944	NA	KEGG	NA	NA
+PJ001795	ATEH 	C18H28N6O8	456.1969	NA	PeJP	NA	NA
+MJ066722	Haloperidide 	C26H30ClFN2O2	456.197984	NA	MeJP	NA	NA
+MJ066723	1-(2-Hydroxyethyl)-1,4-cyclohexanediol, 2'-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C22H32O10	456.199547	NA	MeJP	NA	NA
+MJ066724	3,4,7,8,15-Scirpenepentol, 8-O-(3-Hydroxy-3-methylbutanoyl), 15-Ac 	C22H32O10	456.199547	NA	MeJP	NA	NA
+MJ066725	3,8,13-Trihydroxy-4(15),10(14)-guaiadien-12,6-olide, 13-Me ether, 3-O-?-D-glucopyranoside 	C22H32O10	456.199547	NA	MeJP	NA	NA
+MJ066726	Taxagifin III; 4-O-De-Ac 	C22H32O10	456.199547	NA	MeJP	NA	NA
+PJ001796	QFY 	C23H28N4O6	456.2009	NA	PeJP	NA	NA
+PJ001797	GPHF 	C22H28N6O5	456.2121	NA	PeJP	NA	NA
+CJpos0796	Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+	C26H33O7	456.214275	C18rt(min)=8.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0796	Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+	C26H33O7	456.214275	C18rt(min)=8.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ066727	16,17-[Butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-17-(methylthio)androst-4-en-3-one 	C24H34F2O4S	456.214586	NA	MeJP	NA	NA
+C17444	Kurarinol	C26H32O7	456.2148	NA	KEGG	NA	NA
+C17445	Kuraridinol	C26H32O7	456.2148	NA	KEGG	NA	NA
+FL1CAENR0001	Antiarone J	C26H32O7	456.2148	137196-96-4	knapsack	NA	NA
+FL1CALNI0003	Kuraridinol	C26H32O7	456.2148	52482-98-1	knapsack	NA	NA
+FL2FALNI0040	Kushenol Q;5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone	C26H32O7	456.2148	254886-70-9	knapsack	NA	NA
+FL2FALNI0041	Kushenol P;(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone	C26H32O7	456.2148	254886-69-6	knapsack	NA	NA
+MJ066728	1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide, 1,3,5-Orthoacetate 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066729	2-[2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methoxy-6-(3-methyl-2-butenyl)-1H-inden-1-yl]-1-(2,4,6-trihydroxyphenyl)ethanone 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066730	3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide, 16-Ac 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066731	3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066732	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 3'-Demethoxy, 9-O-(2-hydroxymethyl-2-butenenyl)(Z-) 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066733	Angolensic acid 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066734	Kuraridin; 4'',5''-Dihydro, 5''-hydroxy 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066735	Nimbandiol 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066736	Obacunol 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066737	Oligosporol A; 1,4-Diketone, 1'-Ac 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066738	Resibufagin; 16?-Acetoxy 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066739	Sophoraflavanone G; 4'',5''-Dihydro, 5''-hydroxy, 2'-Me ether 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066740	Sophoraflavanone G; 4'',5''-Dihydro, 5''-hydroxy, 5-Me ether 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066741	Strobilurin E 	C26H32O7	456.214803	NA	MeJP	NA	NA
+MJ066742	Strobilurin I; 2''-O-(3-Methyl-2-butenoyl) 	C26H32O7	456.214803	NA	MeJP	NA	NA
+PJ001798	GLMH 	C19H32N6O5S	456.2155	NA	PeJP	NA	NA
+MJ066743	3'-[Bis(2-hydroxyethyl)amino]acetophenone (4,5-diphenyl-2-oxazolyl)hydrazone 	C27H28N4O3	456.21614	NA	MeJP	NA	NA
+3779	dipeptidyl carboxypeptidase inhibitor	PPPF	456.224	ACE inhibitor	Inhouse_peptide	NA	peptide
+7652	ACE inhibitor from wakame	KFY	456.225	antioxidative	Inhouse_peptide	NA	peptide
+C01626	Vindoline	C25H32N2O6	456.226	NA	KEGG	NA	NA
+C01628	Vitamin K	C11H7O2R	456.226	NA	KEGG	NA	NA
+C01629	Wax ester	C11H7O2R	456.226	NA	KEGG	NA	NA
+MJ066744	Aspidoalbine; 18-Oxo, Me ether 	C25H32N2O6	456.226036	NA	MeJP	NA	NA
+MJ066745	Vindoline 	C25H32N2O6	456.226036	NA	MeJP	NA	NA
+MetaCyc03619	vindoline []	C25H32N2O6	456.226037	2182-14-1	metacyc	NA	NA
+3776	PEP inhibitor	MPLP	456.2284	ACE inhibitor	Inhouse_peptide	NA	peptide
+3473	alpha-casomorphin (90-96)	RYLGYLE	456.229	MH2+	Inhouse_peptide	NA	peptide
+MJ066746	Chloranthalactone F 	C30H32O4	456.230059	NA	MeJP	NA	NA
+MJ066747	Petrosynol; 15E-Isomer, tetraketone 	C30H32O4	456.230059	NA	MeJP	NA	NA
+MJ066748	Petrosynol; Tetraketone 	C30H32O4	456.230059	NA	MeJP	NA	NA
+PJ001799	STLH 	C19H32N6O7	456.2333	NA	PeJP	NA	NA
+MJ066749	8,11-Dihydroxy-4-guaien-3-one, 8-O-?-D-Glucopyranoside, 11-Ac 	C23H36O9	456.235932	NA	MeJP	NA	NA
+MJ066750	Albocycline; 7-O-De-Me, 7-O-?-D-glucopyranoside 	C23H36O9	456.235932	NA	MeJP	NA	NA
+MJ066751	Cyclo(prolyltyrosylprolylvalyl) 	C24H32N4O5	456.23727	NA	MeJP	NA	NA
+PJ001800	KFY 	C24H32N4O5	456.2373	NA	PeJP	NA	NA
+HMDB11116	Phytyl diphosphate	C20H42O7P2	456.24057	NA	HMDB2010	NA	NA
+MetaCyc03620	phytyl-PP [phytyl pyrophosphate;]	C20H42O7P2	456.240577	NA	metacyc	NA	NA
+C05427	Phytyl diphosphate	C20H42O7P2	456.2406	NA	KEGG	NA	NA
+C11717	D1927	C21H36N4O5S	456.2406	NA	KEGG	NA	NA
+PJ001801	PPLM 	C21H36N4O5S	456.2407	NA	PeJP	NA	NA
+MJ066752	Pipendoxifene 	C29H32N2O3	456.241292	NA	MeJP	NA	NA
+HMDB05771	Rigin	C18H32N8O6	456.244476	NA	HMDB2010	NA	NA
+HMDB05771	Rigin	C18H32N8O6	456.24448	http://www.hmdb.ca/metabolites/HMDB05771	HMDB	NA	NA
+HMDB05771	Rigin	C18H32N8O6	456.24448	HMDB05771	PFEM_hmdb_metabocards_official	NA	NA
+PJ001802	GPQR 	C18H32N8O6	456.2445	NA	PeJP	NA	NA
+MJ066753	1,6,17,27-Tetrahydroxy-19-norwitha-1,3,5(10),24-tetraenolide 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066754	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-(3-Methyl-2-butenoyl), 14-Ac 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066755	3,7,12-Trihydroxy-1,9,11(13)-eremophilatrien-8-one, 3-(4,6-Dimethyl-2E,4E-octadienoyl), 12-Ac 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066756	7-Hydroxy-25,26,27-trinor-3,11,15-trioxo-8-lanosten-24,20-olide 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066757	8-Daucene-2,4,6-triol, 6-(4-Hydroxybenzoyl), 2-angeloyl 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066758	Antibiotic Sch 420789 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066759	Estra-1,3,5(10)-triene-3,16,17-triol, Tripropanoyl 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066760	Euphoractine A; 2-Epimer, deacyl, 15-benzoyl 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066761	Euphoractine A; Deacyl, 15-benzoyl 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066762	Euphoractine F; 15-Deacyl, 15-benzoyl 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066763	Euphoractine F; 2-Epimer, 15-deacyl, 15-benzoyl 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066764	Ingenol; 5-Deoxy, 3-angeloyl, 20-Ac 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066765	Jaspiferal C; 13E-Isomer, 3-Ac 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066766	Lucidenic acid E2; Deacetoxy, 3-ketone 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066767	Luffarin R; Ac 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066768	Salannic acid; 3-Deoxy, Me ester 	C27H36O6	456.251188	NA	MeJP	NA	NA
+MJ066769	Surangin A; 1'''-Hydroxy 	C27H36O6	456.251188	NA	MeJP	NA	NA
+HMDB00907	Sulfolithocholic acid	C24H40O6S	456.254547	NA	HMDB2010	NA	NA
+HMDB00907	Sulfolithocholic acid	C24H40O6S	456.25455	http://www.hmdb.ca/metabolites/HMDB00907	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00907	Sulfolithocholic acid	C24H40O6S	456.25455	http://www.hmdb.ca/metabolites/HMDB00907	HMDB	NA	NA
+HMDB00907	Sulfolithocholic acid	C24H40O6S	456.25455	http://www.hmdb.ca/metabolites/HMDB00907	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00907	Sulfolithocholic acid	C24H40O6S	456.25455	HMDB00907	PFEM_hmdb_metabocards_official	NA	NA
+MJ066770	3-Hydroxycholan-24-oic acid, 3-Sulfate 	C24H40O6S	456.254559	NA	MeJP	NA	NA
+PJ001803	PVLE 	C21H36N4O7	456.2584	NA	PeJP	NA	NA
+MJ066771	6-Bromo-5,9-pentacosadienoic acid 	C25H45BrO2	456.260293	NA	MeJP	NA	NA
+MJ066772	Zatebradine 	C26H36N2O5	456.262422	NA	MeJP	NA	NA
+MJ066773	13-Chloro-15-isocopalanoic acid, (2-Acetoxy-3-hydroxypropyl) ester 	C25H41ClO5	456.264252	NA	MeJP	NA	NA
+MJ066774	13-Chloro-15-isocopalanoic acid, (3-Acetoxy-2-hydroxypropyl) ester 	C25H41ClO5	456.264252	NA	MeJP	NA	NA
+3620	NA	GRKP	456.268	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ001804	PVNK 	C20H36N6O6	456.2697	NA	PeJP	NA	NA
+PJ001805	GPKR 	C19H36N8O5	456.2809	NA	PeJP	NA	NA
+MJ066775	12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Aldehyde, 12-Ac 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066776	12-Hydroxy-5,13-dioxohalidrol 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066777	22-Hydroxy-24-methyl-12,24-dioxo-16-scalaren-25-al; Ac 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066778	3-Clerodene-6,15,17,18-tetrol, 18-Aldehyde, 17-phenylacetyl 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066779	4,27-Dihydroxy-1-oxowitha-2,5,24-trienolide, 2,3-Dihydro 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066780	5,6-Epoxy-21-hydroxy-1-oxowith-24-enolide 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066781	5,6-Epoxy-4,20-dihydroxy-1-oxowith-2-enolide, 20-Deoxy 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066782	5,6-Epoxy-4-hydroxy-1-oxowithanolide, 24,25-Didehydro 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066783	6,19-Epoxy-3,6,8(19),11,15(17)-cembrapentaene-16,20-diol, 16,20-Dibutanoyl 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066784	Amentadione; 1'-Me ether 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066785	Amentol; 1'-Me ether 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066786	Antibiotic Mer-NF 8054X; 3-Ketone 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066787	Aszonapyrone A 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066788	Balearone 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066789	Bifurcarenone, 2'-Me ether 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066790	Bifurcarenone, 5'-Me ether 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066791	Jaborosalactone A; 2,3-Dihydro 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066792	Limocin A; Demethoxy, 23?-hydroxy 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066793	Mzikonol 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066794	Neobalearone 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066795	Ratjadone 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066796	Siraitic acid D 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066797	Strictaepoxide 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066798	Strictaketal 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066799	Tamariscolone 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066800	Taonia peroxylactone A; 5'-Deacetyl, 5'-O-Me 	C28H40O5	456.287574	NA	MeJP	NA	NA
+MJ066801	Teroxalene 	C28H41ClN2O	456.290741	NA	MeJP	NA	NA
+MJ066802	13-Labdene-8,15,16-triol, 8-O-?-Xylopyranoside 	C25H44O7	456.308703	NA	MeJP	NA	NA
+MJ066803	8-Hydroxy-15-labdanoic acid, 8-O-?-D-Xylopyranoside 	C25H44O7	456.308703	NA	MeJP	NA	NA
+MJ066804	Trenizine 	C31H40N2O	456.314063	NA	MeJP	NA	NA
+MJ066805	12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, Ac 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066806	17,23-Epoxy-28-hydroxy-27-norlanost-8-ene-3,24-dione 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066807	2,3,23-Trihydroxy-28-nor-5,12-oleanadien-16-one 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066808	2,3-Dihydroxy-23-nor-12,18-ursadien-28-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066809	2,3-Dihydroxy-24-nor-4(23),12-oleanadien-28-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066810	2,3-Dihydroxy-24-nor-4(23),12-ursadien-28-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066811	2-Hydroxy-24-nor-3-oxo-4-friedelen-29-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066812	24-Hydroperoxy-6-hydroxystigmasta-4,28-dien-3-one, 6-Ketone 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066813	27(14?15)-Abeo-2,3-dihydroxy-24-nor-4(23),12-ursadien-28-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066814	28-Nor-16,21-oleanadiene-3,19,23,29-tetrol, 23-Aldehyde 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066815	3,11-Dihydroxy-24-nor-20(29)-lupen-28-oic acid, 3-Ketone 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066816	3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066817	3,21-Dihydroxy-16-oxo-28-nor-12-oleanen-23-al 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066818	3,22,28-Trihydroxy-25-nor-1(10),20(29)-lupadien-2-one 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066819	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066820	3,24-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid; 3?-form 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066821	3-Hydroxy-30-nor-20-oxo-28-lupanoic acid, 3-Ketone 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066822	Anthosterone B 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066823	Callystatin A 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066824	Emecorrugatin B 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066825	Eunicenone B; O-De-Ac, Me ester 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066826	Kanerin 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066827	Lapinone 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066828	Pulverulactone 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066829	Spirost-5-en-3-ol, Ac 	C29H44O4	456.323959	NA	MeJP	NA	NA
+MJ066830	Viburnol J 	C29H44O4	456.323959	NA	MeJP	NA	NA
+C16891	Callystatin A	C29H44O4	456.324	NA	KEGG	NA	NA
+PJ001806	VLLL 	C23H44N4O5	456.3312	NA	PeJP	NA	NA
+MJ066831	Citranaxanthin 	C33H44O	456.339216	NA	MeJP	NA	NA
+MJ066832	5,6-Dihydro-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one; 10'-Hydroxy 	C26H48O6	456.345089	NA	MeJP	NA	NA
+MJ066833	Fluvirucin B; Fluvirucin B3 	C25H48N2O5	456.356322	NA	MeJP	NA	NA
+C08619	Betulinic acid	C30H48O3	456.3603	NA	KEGG	NA	NA
+C08623	alpha-Elemolic acid	C30H48O3	456.3603	NA	KEGG	NA	NA
+C08988	Ursolic acid	C30H48O3	456.3603	NA	KEGG	NA	NA
+C17148	Oleanolic acid	C30H48O3	456.3603	NA	KEGG	NA	NA
+C17420	Soyasapogenol E	C30H48O3	456.3603	NA	KEGG	NA	NA
+MJ066834	1,11-Dihydroxy-12-ursen-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066835	1,11-Dihydroxy-18-oleanen-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066836	1,11-Dihydroxy-20(29)-lupen-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066837	1,28-Dihydroxy-20(29)-lupen-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066838	11,13(18)-Oleanadiene-3,16,28-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066839	11,13(18)-Oleanadiene-3,23,28-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066840	11,13-Oleanadiene-3,22,24-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066841	12,15-Oleanadiene-3,22,28-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066842	12,20(29)-Lupadiene-3,27,28-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066843	12-Hydroxy-3,7-friedelanedione; 12?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066844	12-Lupene-3,28-diol, 28-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066845	12-Oleanene-3,22,24-triol, 22-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066846	12-Oleanene-3,22,24-triol, 24-Aldehyde 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066847	12-Oleanene-3,22,24-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066848	12-Oleanene-3,24-diol; 3?-form, 24-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066849	12-Oleanene-3,28,29-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066850	12-Ursene-3,27-diol, 27-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066851	12-Ursene-3,29-diol, 29-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066852	13,28-Epoxy-11-oleanene-3,16-diol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066853	13,28-Epoxy-3,16-oleananediol, 16-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066854	14,26-Epoxy-21-hydroxy-3-serratanone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066855	15,28-Dihydroxy-20(29)-lupen-3-one; 15?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066856	15-Hydroxy-1,3-friedelanedione; 15?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066857	16,23-Dihydroxycycloart-24-en-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066858	16,24-Epoxy-25-hydroxycycloartan-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066859	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Undecanoyl 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066860	17-Hydroxyestr-4-en-3-one; 17?-form, Dodecanoyl 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066861	18-Hydroperoxy-12-oleanen-3-one; 18?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066862	20(29)-Lupene-3,23,28-triol, 28-Aldehyde 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066863	20(29)-Lupene-3,27-diol, 27-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066864	20(29)-Lupene-3,27-diol; 3?-form, 27-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066865	20(30)-Lupene-3,28,29-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066866	20,24-Epoxy-3,4-seco-4(28),25-dammaradien-3-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066867	20,29-Epoxy-22-hydroxy-3-lupanone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066868	21,23-Epoxycycloart-24-ene-3,21-diol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066869	21,24-Dihydroxycycloart-25-en-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066870	21,24-Epoxy-25-hydroxytirucall-7-en-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066871	21,26-Dihydroxy-3-friedelanone; 21?-form, 21-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066872	21-Hydroxy-3-oxo-25-friedelanal; 21?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066873	22,25-Dihydroxytirucalla-7,23-dien-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066874	23,26-Dihydroxy-7,24-tirucalladien-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066875	24,25-Epoxy-16-hydroxycycloartan-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066876	24,25-Epoxy-23-hydroxyprotost-13(17)-en-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066877	24,25-Epoxylanosta-7,9(11)-diene-3,26-diol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066878	24,25-Epoxytirucall-7-ene-3,23-diol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066879	25,28-Dihydroxy-3-friedelanone; 28-Aldehyde 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066880	25-Hydroxy-3-friedelanone; 25-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066881	26-Hydroxy-1,3-friedelanedione 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066882	27-Hydroxy-3,12-friedelanedione 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066883	28,30-Epoxy-28-hydroxy-3-friedelanone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066884	28-Hydroxy-1,3-friedelanedione 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066885	3,11-Dihydroxy-12-oleanen-28-oic acid, 11-Ketone, 28-alcohol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066886	3,11-Dihydroxy-24-methylene-29-norlanost-8-en-7-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066887	3,11-Dihydroxy-8-fernen-7-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066888	3,12-Dihydroxy-28-oleananoic acid, 28?12 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066889	3,12-Dihydroxy-28-ursanoic acid, 28?12 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066890	3,13-Dihydroxy-28-lupanoic acid, 28?13 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066891	3,13-Dihydroxy-28-oleananoic acid, 28?13 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066892	3,13-Dihydroxy-28-ursanoic acid, 28?13 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066893	3,15-Dihydroxy-27-friedelanoic acid, 27?15 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066894	3,16-Dihydroxy-12-oleanen-15-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066895	3,16-Dihydroxy-8-fernen-11-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066896	3,19-Dihydroxy-20(29)-lupen-12-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066897	3,19-Dihydroxy-28-oleananoic acid, 28?19 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066898	3,20,28-Taraxastanetriol, 28-Carboxylic acid, 28?20 lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066899	3,21-Dihydroxy-14-serraten-16-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066900	3,21-Dihydroxy-28-oleananoic acid, 28?21 Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066901	3,22-Dihydroxy-13(18)-oleanen-11-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066902	3,22-Dihydroxy-25-stictanoic acid, 25?3-Lactone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066903	3,22-Dihydroxy-7,24-tirucalladien-23-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066904	3,22-Dihydroxylanosta-8,24-dien-7-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066905	3,28-Friedelanediol; 3?-form, 3-Ketone, 28-carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066906	3,29-Dihydroxy-9(11)-multifloren-7-one; 3?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066907	3,29-Friedelanediol, 3-Ketone, 29-carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066908	3,30-Dihydroxy-20(29)-lupen-28-oic acid, 28-Alcohol, 29-aldehyde 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066909	3,30-Friedelanediol; 3?-form, 30-Carboxylic acid, 3-ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066910	3,7-Dihydroxy-24-methylene-29-norlanost-8-en-11-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066911	3,7-Dihydroxy-8-fernen-11-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066912	3,7-Dihydroxylanosta-8,24-dien-26-oic acid, 3-Epimer, 7-deoxy 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066913	3,9-Dihydroxy-20(29)-lupen-7-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066914	3-Hydroxy-1-oxo-12-oleanen-28-oic acid, 28-Alcohol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066915	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 30-Alcohol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066916	3-Hydroxy-12-oleanen-27-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066917	3-Hydroxy-12-oleanen-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066918	3-Hydroxy-12-oleanen-29-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066919	3-Hydroxy-12-oleanen-30-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066920	3-Hydroxy-12-taraxasten-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066921	3-Hydroxy-12-ursen-23-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066922	3-Hydroxy-12-ursen-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066923	3-Hydroxy-13(18)-oleanen-24-oic acid; 3?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066924	3-Hydroxy-14-taraxeren-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066925	3-Hydroxy-18-oleanen-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066926	3-Hydroxy-18-ursen-27-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066927	3-Hydroxy-18-ursen-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066928	3-Hydroxy-20(29)-lupen-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066929	3-Hydroxy-22(29)-hopen-23-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066930	3-Hydroxy-22(29)-hopen-24-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066931	3-Hydroxy-27-friedelanal; 3?-form, 3-Ketone, 27-carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066932	3-Hydroxy-5-ursen-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066933	3-Hydroxy-7-bauren-27-oic acid; 3?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066934	3-Hydroxy-7-bauren-28-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066935	3-Hydroxy-7-multifloren-29-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066936	3-Hydroxy-8-multifloren-29-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066937	3-Hydroxy-8-multifloren-30-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066938	3-Hydroxycucurbit-5-ene-11,24-dione 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066939	3-Hydroxycucurbita-5,24-dien-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066940	3-Hydroxycycloart-24-en-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066941	3-Hydroxycycloartan-21-oic acid; 3?-form, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066942	3-Hydroxycycloartan-26,23-olide 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066943	3-Hydroxyeupha-7,24-dien-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066944	3-Hydroxylanost-8-en-26,22-olide 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066945	3-Hydroxylanost-8-ene-7,11-dione 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066946	3-Hydroxylanosta-8,24-dien-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066947	3-Hydroxylanosta-8,24-dien-30-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066948	3-Hydroxylanosta-9(11),24-dien-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066949	3-Hydroxytirucalla-7,24-dien-21-oic acid; 3?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066950	3-Hydroxytirucalla-7,24-dien-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066951	3-Hydroxytirucalla-8,24-dien-21-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066952	3-Hydroxytirucalla-8,24-dien-26-oic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066953	5,12-Oleanadiene-2,3,23-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066954	5,19-Epoxycucurbita-6,23-diene-3,25-diol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066955	5-Glutinene-3,29-diol, 29-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066956	5-Hydroxy-20(29)-lupen-28-oic acid; 5?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066957	6,21-Dihydroxy-3-friedelanone, 21-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066958	6,26-Dihydroxy-20,24-dammaradien-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066959	6,28-Dihydroxy-20(29)-lupen-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066960	6-Hydroxy-22(30)-hopen-29-oic acid; 6?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066961	7,23-Dihydroxytirucalla-8,24-dien-3-one 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066962	7,9(11)-Fernadiene-3,16,19-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066963	7-Hydroxy-1,3-friedelanedione; 7?-form 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066964	9(11),12-Oleanadiene-3,16,28-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066965	9(11),12-Oleanadiene-3,21,29-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066966	Bourjotinolone B 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066967	Coronarin F 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066968	Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066969	Cycloart-23-ene-3,25-diol, 25-Hydroperoxide, 3-ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066970	Cycloart-24-ene-3,16,22-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066971	Cycloart-24-ene-3,21-diol, 21-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066972	Cycloart-24-ene-3,22,23-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066973	Echinodol; 3-Epimer, O-de-Ac 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066974	Eupha-7,24-diene-3,21,26-triol, 21-Aldehyde 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066975	Flindissol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066976	Gynogenin II 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066977	Holost-9(11)-en-3-ol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066978	Iridogermanal; 21-Deoxy, 16,17-didehydro 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066979	Iridogermanal; 21-Deoxy, 17,29-didehydro(17E) 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066980	Isoargentatin B 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066981	Lanost-8,24-diene-3,21-diol, 21-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066982	Lanost-8,24-diene-3,21-diol; 3?-form, 21-Carboxylic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066983	Lanosta-7,9(11),24-triene-3,15,21-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066984	Lanosta-7,9(11),24-triene-3,26,27-triol 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066985	Lanosta-7,9(11)-diene-3,24,25-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066986	Ovalifoliolide A 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066987	Perenniporiol; 15-Deacetoxy, 7,11-dihydro 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066988	Pterosin B, O-Hexadecanoyl 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066989	Rhoiptelic acid 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066990	Sodwanone Q 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066991	Stigmasta-5,25-diene-3,7-diol, 7-Formyl 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MJ066992	Tirucalla-7,24-diene-3,21,23-triol, 3-Ketone 	C30H48O3	456.360345	NA	MeJP	NA	NA
+MetaCyc03621	4,4-dimethyl-14&alpha;-formyl-5&alpha;-cholesta-8,24-dien-3&beta;,15&alpha;-diol []	C30H48O3	456.360345	NA	metacyc	NA	NA
+HMDB02364	Oleanolic acid	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02364	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02705	Testosterone undecanoate	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02705	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02364	Oleanolic acid	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02364	HMDB	NA	NA
+HMDB02388	Boswellic acid	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02388	HMDB	NA	NA
+HMDB02395	Ursolic acid	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02395	HMDB	NA	NA
+HMDB02705	Testosterone undecanoate	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02705	HMDB	NA	NA
+HMDB02364	Oleanolic acid	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02364	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02705	Testosterone undecanoate	C30H48O3	456.36035	http://www.hmdb.ca/metabolites/HMDB02705	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02364	Oleanolic acid	C30H48O3	456.36035	HMDB02364	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02388	Boswellic acid	C30H48O3	456.36035	HMDB02388	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02395	Ursolic acid	C30H48O3	456.36035	HMDB02395	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02705	Testosterone undecanoate	C30H48O3	456.36035	HMDB02705	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02364	Oleanolic acid	C30H48O3	456.360352	NA	HMDB2010	NA	NA
+HMDB02388	Boswellic acid	C30H48O3	456.360352	NA	HMDB2010	NA	NA
+HMDB02395	Ursolic acid	C30H48O3	456.360352	NA	HMDB2010	NA	NA
+MJ066993	3-Aminosolanidan-23-ol, N-Ac 	C29H48N2O2	456.371578	NA	MeJP	NA	NA
+MJ066994	5-(23-Cyano-23-hydroxy-6-tricosenyl)-2-pyrrolecarboxaldehyde 	C29H48N2O2	456.371578	NA	MeJP	NA	NA
+MJ066995	Pachysantermine A 	C29H48N2O2	456.371578	NA	MeJP	NA	NA
+MJ066996	Pachystermine A 	C29H48N2O2	456.371578	NA	MeJP	NA	NA
+MJ066997	1-Docosanol; Cinnamoyl 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ066998	12-Oleanene-3,11-diol, 11-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ066999	12-Ursene-3,11-diol, 11-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067000	13,16,19,22,25-Hentriacontapentaenoic acid 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067001	13-Serratene-3,21-diol, 3-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067002	14-Serratene-3,21-diol, 21-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067003	14-Serratene-3,21-diol, 3-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067004	14-Serratene-3,21-diol; (3?,21?)-fororm, 3-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067005	14-Serratene-3,21-diol, 3-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067006	20(29)-Lupene-2,3-diol, 2-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067007	20,24-Epoxy-24-methyldammaran-3-ol, 3-Ketone 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067008	20-Hydroxy-24-methylenedammaran-3-one 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067009	21,24-Epoxy-24-methyllanost-9(11)-en-3-ol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067010	24-Isopropenyl-25-methylcholesta-5,22-diene-3,7-diol, 22,23-Dihydro 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067011	24-Methylcycloart-7-ene-3,20-diol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067012	24-Methylenecycloartane-3,20-diol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067013	24-Methylenecycloartane-3,21-diol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067014	24-Methylenelanost-8-ene-3,21-diol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067015	24-Methylenelanost-8-ene-3,22-diol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067016	29-Norcycloartan-3-ol, Ac 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067017	3,4-Seco-4(23)-friedelen-3-oic acid; Me ester 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067018	4-Methylenestigmast-8(14)-ene-3,7-diol, 7-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067019	Canaric acid; 4,23-Dihydro, Me ester 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067020	Corollatadiol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067021	Cycloart-23-ene-3,25-diol, 25-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067022	Cyclomahogenol 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067023	Lanosta-9(11),25-diene-3,24-diol, 3-Me ether 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067024	Nyctanthic acid; 4,23-Dihydro, Me ester 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067025	Ortonacetal 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067026	Roburic acid; 4,23-Dihydro, Me ester 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067027	Stigmast-5-en-3-ol, Ac 	C31H52O2	456.39673	NA	MeJP	NA	NA
+MJ067028	Pregnane-3,20-diamine, N20,N20-Di-Me, N3-(3,4-dimethyl-2-pentenoyl)(E-) 	C30H52N2O	456.407964	NA	MeJP	NA	NA
+MJ067029	6-Hydroxy-6-methyl-9-oxooctacosanoic acid 	C28H56O4	456.41786	NA	MeJP	NA	NA
+MJ067030	24,24-Dimethylcycloartan-3-ol 	C32H56O	456.433116	NA	MeJP	NA	NA
+MJ067031	3,17-Dimethyl-29-hopanol 	C32H56O	456.433116	NA	MeJP	NA	NA
+MJ067032	Sacredicene A 	C33H60	456.469501	NA	MeJP	NA	NA
+MJ067033	Sacredicene B 	C33H60	456.469501	NA	MeJP	NA	NA
+MJ067034	Convolutamine A 	C13H18Br3NO2	456.888766	NA	MeJP	NA	NA
+HMDB00652	Chondroitin 4-sulfate	C14H19NO14S	457.05264	http://www.hmdb.ca/metabolites/HMDB00652	HMDB	NA	NA
+HMDB00652	Chondroitin 4-sulfate	C14H19NO14S	457.05264	HMDB00652	PFEM_hmdb_metabocards_official	NA	NA
+MJ067035	Sporidesmin; 11-Deoxy 	C18H20ClN3O5S2	457.053289	NA	MeJP	NA	NA
+MJ067036	Toltrazuril; S,S-Dioxide 	C18H14F3N3O6S	457.05554	NA	MeJP	NA	NA
+MJ067037	Lamellarin H 	C25H15NO8	457.079766	NA	MeJP	NA	NA
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR444	Flavine Mononucleotide F2	NA	457.110975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR444	Flavine Mononucleotide F2	NA	457.110975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR444	Flavine Mononucleotide F2	NA	457.110975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR444	Flavine Mononucléotide F2	F2	457.110975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR444	Flavine Mononucleotide F2	NA	457.110975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR444	Flavine Mononucleotide F2	F2	457.110975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ067038	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether, N-?-D-glucopyranosyl 	C23H23NO9	457.137281	NA	MeJP	NA	NA
+MJ067039	2-Hydroxy-2-phenylacetonitrile, O-[3,4-Dihydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C23H23NO9	457.137281	NA	MeJP	NA	NA
+MJ067040	2-Hydroxy-2-phenylacetonitrile, O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C23H23NO9	457.137281	NA	MeJP	NA	NA
+MJ067041	Caldiamide 	C16H26CaN5O8(-)	457.148553	NA	MeJP	NA	NA
+MJ067042	Lamellarin O 	C27H23NO6	457.152537	NA	MeJP	NA	NA
+C15104	LY-202769	C27H24ClN3O2	457.1557	NA	KEGG	NA	NA
+C08325	Amygdalin	C20H27NO11	457.1584	NA	KEGG	NA	NA
+MJ067043	1H-Indol-3-ol; OH-form, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H27NO11	457.15841	NA	MeJP	NA	NA
+MJ067044	2-Hydroxy-2-phenylacetonitrile, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C20H27NO11	457.15841	NA	MeJP	NA	NA
+MJ067045	2-Hydroxy-2-phenylacetonitrile, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H27NO11	457.15841	NA	MeJP	NA	NA
+MetaCyc03622	(R)-amygdalin [(R)-amygdaloside;(R)-laenitrile;amygdalin;(R)-&alpha;-((6-O-&beta;-D-glucopyranosyl-&beta;-D- glucopyranosyl)oxy)benzeneacetonitrile;D(-)-mandelonitrile-&beta;-D-gentiobioside;D-amygdalin;D-mandelonitrile-&beta;-D-glucosido-6-&beta;-D-glucoside;vitamin B17;mandelonitrile-&beta;-gentiobioside;]	C20H27N1O11	457.158411	29883-15-6	metacyc	NA	NA
+MJ067046	Antibiotic K 252c; N13-(?-L-Rhamnopyranosyl) 	C26H23N3O5	457.16377	NA	MeJP	NA	NA
+MJ067047	5,10-Methylenetetrahydrofolate 	C20H23N7O6	457.170981	NA	MeJP	NA	NA
+MJ067048	Chryscandin 	C20H23N7O6	457.170981	NA	MeJP	NA	NA
+MetaCyc03623	5,10-methylene-THF [5,10-methylenetetrahydrofolate;N5,N10-methylenetetrahydrofolate;]	C20H23N7O6	457.170982	NA	metacyc	NA	NA
+HMDB01533	5,10-Methylene-THF	C20H23N7O6	457.17099	http://www.hmdb.ca/metabolites/HMDB01533	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01533	5,10-Methylene-THF	C20H23N7O6	457.17099	http://www.hmdb.ca/metabolites/HMDB01533	HMDB	NA	NA
+HMDB06486	5-Methyldihydrofolic acid	C20H23N7O6	457.17099	http://www.hmdb.ca/metabolites/HMDB06486	HMDB	NA	NA
+HMDB01533	5,10-Methylene-THF	C20H23N7O6	457.17099	http://www.hmdb.ca/metabolites/HMDB01533	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01533	5,10-Methylene-THF	C20H23N7O6	457.17099	HMDB01533	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06486	5-Methyldihydrofolic acid	C20H23N7O6	457.17099	HMDB06486	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01533	5,10-Methylene-THF	C20H23N7O6	457.17099	NA	HMDB2010	NA	NA
+HMDB06486	5-Methyldihydrofolic acid	C20H23N7O6	457.17099	NA	HMDB2010	NA	NA
+C00143	5,10-Methylenetetrahydrofolate	C20H23N7O6	457.171	NA	KEGG	NA	NA
+MJ067049	Medermycin 	C24H27NO8	457.173666	NA	MeJP	NA	NA
+MJ067050	N-Methyloxohydrasteine; Et ester 	C24H27NO8	457.173666	NA	MeJP	NA	NA
+MJ067051	Narcotinediol; ?-Ac, 2'-aldehyde 	C24H27NO8	457.173666	NA	MeJP	NA	NA
+C12437	Medermycin	C24H27NO8	457.1737	NA	KEGG	NA	NA
+PJ001807	GNMH 	C17H27N7O6S	457.1744	NA	PeJP	NA	NA
+MJ067052	3-(3-Ethoxy-1,3-dioxo-2-phenylpropoxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; Methyl sulfate 	C21H31NO8S	457.177037	NA	MeJP	NA	NA
+C07225	Minocycline	C23H27N3O7	457.1849	NA	KEGG	NA	NA
+C07226	Transferred to D00418	C23H27N3O7	457.1849	NA	KEGG	NA	NA
+C07227	Transferred to D00419	C23H27N3O7	457.1849	NA	KEGG	NA	NA
+MJ067053	Minocycline 	C23H27N3O7	457.1849	NA	MeJP	NA	NA
+PJ001808	EFY 	C23H27N3O7	457.1849	NA	PeJP	NA	NA
+MJ067054	Azimilide 	C23H28ClN5O3	457.188067	NA	MeJP	NA	NA
+C13777	Azimilide	C23H28ClN5O3	457.1881	NA	KEGG	NA	NA
+MJ067055	Antibiotic OA 6129B1; 6-Deoxy 	C20H31N3O7S	457.188271	NA	MeJP	NA	NA
+PJ001809	SSQH 	C17H27N7O8	457.1921	NA	PeJP	NA	NA
+PJ001810	GGGGGGP 	C17H27N7O8	457.1922	NA	PeJP	NA	NA
+PJ001811	PPNM 	C19H31N5O6S	457.1995	NA	PeJP	NA	NA
+MetaCyc03624	O-demethylpuromycin [2-amino-N-[5-[(6-dimethylamino-9H-purin-9-yl)]-4-hydroxy-2- (hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)- propanamid;]	C21H27N7O5	457.207367	NA	metacyc	NA	NA
+C02864	O-Demethylpuromycin	C21H27N7O5	457.2074	NA	KEGG	NA	NA
+C02866	O-Sinapoylglucarate	C21H27N7O5	457.2074	NA	KEGG	NA	NA
+C02867	Oligoribonucleotide	C10H17O10PR2	457.2074	NA	KEGG	NA	NA
+7940	synthetic peptide	YYI	457.21	antioxidative	Inhouse_peptide	NA	peptide
+7941	synthetic peptide	YYL	457.21	antioxidative	Inhouse_peptide	NA	peptide
+7954	synthetic peptide	IYY	457.21	antioxidative	Inhouse_peptide	NA	peptide
+7955	synthetic peptide	LYY	457.21	antioxidative	Inhouse_peptide	NA	peptide
+7958	synthetic peptide	YIY	457.21	antioxidative	Inhouse_peptide	NA	peptide
+7959	synthetic peptide	YLY	457.21	antioxidative	Inhouse_peptide	NA	peptide
+PJ001812	ACKH 	C18H31N7O5S	457.2108	NA	PeJP	NA	NA
+MJ067056	Qingjingmycin A 	C19H31N5O8	457.217262	NA	MeJP	NA	NA
+PJ001813	PVNE 	C19H31N5O8	457.2173	NA	PeJP	NA	NA
+CJpos0797	Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+ (13C)	C2513CH33O7	457.217575	C18rt(min)=8.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0797	Hydroxyretinoic Glucuronide (and isomers) [(M+H)-2(H2O)]+ (13C)	C2513CH33O7	457.217575	C18rt(min)=8.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ067057	Antibiotic DC 105 	C24H31N3O6	457.221285	NA	MeJP	NA	NA
+MJ067058	Diperdipine 	C24H31N3O6	457.221285	NA	MeJP	NA	NA
+PJ001814	LYY 	C24H31N3O6	457.2213	NA	PeJP	NA	NA
+PJ001815	GPER 	C18H31N7O7	457.2285	NA	PeJP	NA	NA
+MJ067059	12-Seco-14-deoxyparsonsianine; Me ester 	C22H35NO9	457.231181	NA	MeJP	NA	NA
+MJ067060	Lithosenine; O3''-Ac 	C22H35NO9	457.231181	NA	MeJP	NA	NA
+8048	synthetic peptide	PWR	457.232	antioxidative	Inhouse_peptide	NA	peptide
+PJ001816	GPVW 	C23H31N5O5	457.2325	NA	PeJP	NA	NA
+3288	NA	LGGAKQAGDV	457.23395	MH2+	Inhouse_peptide	NA	peptide
+PJ001817	PRW 	C22H31N7O4	457.2438	NA	PeJP	NA	NA
+MJ067061	Antibiotic TAN 1813 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067062	Cardionine; 11-Ac 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067063	Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl), O13-Ac 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067064	Lactimidomycin 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067065	Mycotrienol II 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067066	Spiramide 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067067	Spiramine Y; 22-Ac 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+MJ067068	?-Lipomycin; Aglycone 	C26H35NO6	457.246437	NA	MeJP	NA	NA
+8309	ACE inhibitor	VRSP	457.253	NA  ;SYN:Homo-L-arginine; Homoarginine; L-Homoarginine; N6-(Aminoiminomethyl)-L-lysine; N6-amidino-L-Lysine; N6-amidino-LysineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ001818	PVDK 	C20H35N5O7	457.2537	NA	PeJP	NA	NA
+MJ067069	Antibiotic Sch 382582 	C22H39N3O5S	457.261042	NA	MeJP	NA	NA
+MJ067070	Centchroman 	C30H35NO3	457.261693	NA	MeJP	NA	NA
+MJ067071	N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-N,?-dimethyl-2-(phenylethynyl)benzenepropanamine 	C30H35NO3	457.261693	NA	MeJP	NA	NA
+PJ001819	SPVR 	C19H35N7O6	457.2649	NA	PeJP	NA	NA
+MJ067072	Cryptoechinulin G 	C29H35N3O2	457.272927	NA	MeJP	NA	NA
+MJ067073	Tetradehydroechinulin 	C29H35N3O2	457.272927	NA	MeJP	NA	NA
+3623	NA	TKPI	457.277	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ067074	Lycoclavine; O-De-Ac, O5-[3-(3,4-dimethoxyphenyl)propanoyl] 	C27H39NO5	457.282823	NA	MeJP	NA	NA
+PJ001820	PTLK 	C21H39N5O6	457.2901	NA	PeJP	NA	NA
+MJ067075	Toripristone 	C31H39NO2	457.298079	NA	MeJP	NA	NA
+PJ001821	GLLR 	C20H39N7O5	457.3013	NA	PeJP	NA	NA
+8104	peptide derived from dried bonito	VVKL	457.314	antioxidative	Inhouse_peptide	NA	peptide
+MJ067076	Piericidin; Piericidin A3, 10'-Me ether 	C28H43NO4	457.319208	NA	MeJP	NA	NA
+MJ067077	Piericidin; Piericidin A4 	C28H43NO4	457.319208	NA	MeJP	NA	NA
+PJ001822	VVLK 	C22H43N5O5	457.3264	NA	PeJP	NA	NA
+MJ067078	16,28-Secosolanid-5-ene-3,16-diol, 16-Ac 	C29H47NO3	457.355594	NA	MeJP	NA	NA
+MJ067079	2-Aminobenzoic acid; N-(13Z-Docosenoyl) 	C29H47NO3	457.355594	NA	MeJP	NA	NA
+MJ067080	Gnidinine 	C29H51N3O	457.403213	NA	MeJP	NA	NA
+8108	peptide derived from conger eel muscle (Conger myriaster)	LGLNGDDVN	457.7088	MH2+	Inhouse_peptide	NA	peptide
+MJ067081	Kurodainol 	C10H15Br3Cl2O	457.805008	NA	MeJP	NA	NA
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	HMDB	NA	NA
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	Inhouse_PFEM	NA	NA
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC023	UNKNOWN signif manip paracetamol	NA	457.8668	RT0.49	PFEM_hmdb_metabocards_official	NA	NA
+MJ067082	Dysideathiazole 	C13H16Cl6N2OS	457.91145	NA	MeJP	NA	NA
+MJ067083	Verongamine; 5-Bromo 	C15H16Br2N4O3	457.958915	NA	MeJP	NA	NA
+MJ067084	Antibiotic TAN 2421A1 	C18H12Cl2O8S	457.962993	NA	MeJP	NA	NA
+MJ067085	Dysamide A 	C14H20Cl6N2O2	457.965594	NA	MeJP	NA	NA
+MJ067086	N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-4-quinazolinamine 	C19H16BrFN6O2	458.050214	NA	MeJP	NA	NA
+MJ067087	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C18H18O14	458.069655	NA	MeJP	NA	NA
+MJ067088	Cefalonium 	C20H18N4O5S2	458.071861	NA	MeJP	NA	NA
+PJ001823	CCCM 	C14H26N4O5S4	458.0786	NA	PeJP	NA	NA
+HMDB03153	Epigallocatechin gallate	C22H18O11	458.0849	http://www.hmdb.ca/metabolites/HMDB03153	HMDB	NA	NA
+C09731	Epigallocatechin 3-gallate	C22H18O11	458.0849	NA	KEGG	NA	NA
+C12379	8-Demethyltetracenomycin C	C22H18O11	458.0849	NA	KEGG	NA	NA
+HMDB03153	Epigallocatechin gallate	C22H18O11	458.0849	HMDB03153	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03153	Epigallocatechin gallate	C22H18O11	458.0849	NA	HMDB2010	NA	NA
+FL63AGNS0001	epi-Gallocatechin 3-O-gallate;(-)-Epigallocatechin gallate;(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid	C22H18O11	458.08491	989-51-5	knapsack	NA	NA
+FL63AGNS0004	Gallocatechin 3-O-gallate	C22H18O11	458.08491	5127-64-0	knapsack	NA	NA
+FL63AGNS0007	Epigallocatechin 7-O-gallate	C22H18O11	458.08491	96658-18-3	knapsack	NA	NA
+FL63AGNS0008	Gallocatechin 3'-O-gallate	C22H18O11	458.08491	142784-33-6	knapsack	NA	NA
+MJ067089	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067090	3,3',4',5,5',7-Hexahydroxyflavan, 7-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067091	3,3',4',5,5',7-Hexahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067092	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067093	3,3',4',5,5',7-Hexahydroxyflavan, 4'-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067094	3,3',4,4',5,7-Hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067095	Tartaric acid, 2-(3,4-Dihydroxycinnamoyl), 3-(4-hydroxycinnamoyl) 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067096	Tetracenomycin C; 3-O-De-Me 	C22H18O11	458.084911	NA	MeJP	NA	NA
+MJ067097	Dianellinone 	C26H18O8	458.100167	NA	MeJP	NA	NA
+MJ067098	2,4,6-Trihydroxybenzoic acid; 4-O-(2,3,6-Tri-O-acetyl-?-D-glucopyranoside) 	C19H22O13	458.10604	NA	MeJP	NA	NA
+MJ067099	2,4,6-Trihydroxybenzoic acid; 4-O-(3,4,6-Tri-O-acetyl-?-D-glucopyranoside) 	C19H22O13	458.10604	NA	MeJP	NA	NA
+CJpos0798	FMNH [(M+H)]+	C17H24N4O9P	458.119675	C18rt(min)=5.7 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0798	FMNH [(M+H)]+	C17H24N4O9P	458.119675	C18rt(min)=5.7 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MetaCyc03625	FMNH2 [Reduced FMN;reduced flavin mononucleotide;]	C17H23N4O9P1	458.120265	67-63-0	metacyc	NA	NA
+HMDB01142	FMNH	C17H23N4O9P	458.12027	http://www.hmdb.ca/metabolites/HMDB01142	HMDB	NA	NA
+HMDB01142	FMNH	C17H23N4O9P	458.12027	HMDB01142	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01142	FMNH	C17H23N4O9P	458.12027	NA	HMDB2010	NA	NA
+C01847	Reduced FMN	C17H23N4O9P	458.1203	NA	KEGG	NA	NA
+CJneg0610	FMNH [(M-H)]-	C17H22N4O9P	458.120825	C18rt(min)=5.7 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0610	FMNH [(M-H)]-	C17H22N4O9P	458.120825	C18rt(min)=5.7 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+FL3FA9GS0008	Chrysin 7-(4''-acetylglucoside);7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one	C23H22O10	458.12129	674299-89-9	knapsack	NA	NA
+FLIA1ACS0002	Puerarin 6''-acetate	C23H22O10	458.12129	124903-94-2	knapsack	NA	NA
+FLIA1AGS0003	Daidzein 6''-O-acetate;6''-O-Acetyldaidzin	C23H22O10	458.12129	71385-83-6	knapsack	NA	NA
+MJ067100	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2-O-Acetyl-?-L-rhamnopyranoside) 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067101	4',5,7-Trihydroxy-6-(2-hydroxyvinyl)flavone, 2''-O-?-L-Rhamnopyranoside 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067102	4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone; Di-Ac 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067103	4',7-Dihydroxyisoflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067104	Lasiocarpin A; 3,3'-Dihydroxy 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067105	Phrymarolin II 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067106	Puerarin; 6''-O-Ac 	C23H22O10	458.121296	NA	MeJP	NA	NA
+MJ067107	N-[[(9-?-D-Ribofuranosyl-9H-purin-6-yl)amino]carbonyl]threonine; 2-(Methylthio) 	C16H22N6O8S	458.121982	NA	MeJP	NA	NA
+C11372	ICI D1694	C21H22N4O6S	458.126	NA	KEGG	NA	NA
+MJ067108	Raltitrexed 	C21H22N4O6S	458.126005	NA	MeJP	NA	NA
+MJ067109	?-D-Glucopyranuronosyl-(1?4)-?-D-xylopyranosyl-(1?4)-D-xylose 	C16H26O15	458.12717	NA	MeJP	NA	NA
+MJ067110	Isoplagiochin C; 12-Chloro, 7',8'-dihydro 	C28H23ClO4	458.128486	NA	MeJP	NA	NA
+PJ001824	ACCY 	C18H26N4O6S2	458.1294	NA	PeJP	NA	NA
+MJ067111	1,10:4,5-Diepoxy-8,13-dihydroxy-7(11)-germacren-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl), 13-Ac 	C21H27ClO9	458.13436	NA	MeJP	NA	NA
+MJ067112	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl), 3-Ac 	C21H27ClO9	458.13436	NA	MeJP	NA	NA
+MJ067113	Calanone; 3,4-Dihydro, 3?,4?-dihydroxy 	C27H22O7	458.136553	NA	MeJP	NA	NA
+MJ067114	Interruptin G 	C27H22O7	458.136553	NA	MeJP	NA	NA
+PJ001825	PCCH 	C17H26N6O5S2	458.1406	NA	PeJP	NA	NA
+MJ067115	1-O-Coumaroylglycerol, 3'-Hydroxy, 3-Ac, 2-O-?-D-glucopyranoside 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067116	2-O-?-D-Xylopyranosyl-L-arabinose; L-Furanose-form, 5-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067117	3-(4-Hydroxyphenyl)-2-propenoic acid, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067118	3-(4-Hydroxyphenyl)-2-propenoic acid, [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067119	3-(4-Hydroxyphenyl)-2-propenoic acid, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067120	3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, 2'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067121	7-Hydroxy-4-methyl-1(3H)-isobenzofuranone; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H26O12	458.142426	NA	MeJP	NA	NA
+MJ067122	Furomazine 	C24H27ClN2O3S	458.143091	NA	MeJP	NA	NA
+PJ001826	SSCY 	C18H26N4O8S	458.1471	NA	PeJP	NA	NA
+MJ067123	Luteusin E 	C25H27ClO6	458.149616	NA	MeJP	NA	NA
+FLIABBGM0001	7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside	C24H26O9	458.15768	85541-11-3	knapsack	NA	NA
+MJ067124	15,16-Epoxy-1,11-dihydroxy-2,13(16),14-clerodatriene-17,12:18,19-diolide, Di-Ac 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067125	3,10-Epoxy-8,9,15-trihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-(3-Methyl-2-butenoyl), 8-(2-methylpropenoyl) 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067126	3,10-Epoxy-8,9,15-trihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-Angeloyl, 8-(2-methylpropenoyl) 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067127	4',5,7-Trihydroxy-8-methylisoflavone; 4',5-Di-Me ether, 7-O-?-L-rhamnopyranoside 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067128	Bipinnatin B; 11,12-Deepoxy(Z-) 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067129	Decursidinol, O,O-Bis(2,3-epoxy-2-methylbutanoyl) 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067130	Glomelliferic acid; 2'''-Oxo, O-de-Me 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067131	Khellactone, Bis-O-(2,3-epoxy-2-methylbutanoyl) 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067132	Moracin P; 3'-O-?-D-Xylopyranoside 	C24H26O9	458.157682	NA	MeJP	NA	NA
+MJ067133	Podorhizol, Ac 	C24H26O9	458.157682	NA	MeJP	NA	NA
+PJ001827	GDMH 	C17H26N6O7S	458.1584	NA	PeJP	NA	NA
+MJ067134	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-D-xylose 	C17H30O14	458.163555	NA	MeJP	NA	NA
+MJ067135	?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-L-arabinose 	C17H30O14	458.163555	NA	MeJP	NA	NA
+MJ067136	5-Formiminotetrahydrofolate 	C19H22N8O6	458.16623	NA	MeJP	NA	NA
+3493	ACE inhibitor from sake	YGGY	458.168	ACE inhibitor	Inhouse_peptide	NA	peptide
+7947	synthetic peptide	YYN	458.1689	ACE inhibitor	Inhouse_peptide	NA	peptide
+7965	synthetic peptide	NYY	458.1689	antioxidative	Inhouse_peptide	NA	peptide
+7968	synthetic peptide	YNY	458.1689	antioxidative	Inhouse_peptide	NA	peptide
+MJ067137	4-N-Demethyl-4-N-ethyloxytetracycline; 5-Deoxy 	C23H26N2O8	458.168915	NA	MeJP	NA	NA
+MJ067138	Antibiotic CJ 12950 	C23H26N2O8	458.168915	NA	MeJP	NA	NA
+MJ067139	Valechlorin 	C22H31ClO8	458.170745	NA	MeJP	NA	NA
+MJ067140	Perrottetin E; 10,10'-Dihydroxy 	C28H26O6	458.172938	NA	MeJP	NA	NA
+MJ067141	Perrottetin E; 3',10-Dihydroxy 	C28H26O6	458.172938	NA	MeJP	NA	NA
+MJ067142	Lorglumide 	C22H32Cl2N2O4	458.173912	NA	MeJP	NA	NA
+PJ001828	SSEH 	C17H26N6O9	458.1761	NA	PeJP	NA	NA
+PJ001829	GGPND 	C17H26N6O9	458.1762	NA	PeJP	NA	NA
+MJ067143	2-Methoxy-4-(2-propenyl)phenol; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067144	2-Methoxy-4-(2-propenyl)phenol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067145	2-Methoxy-4-(2-propenyl)phenol; O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067146	2-Methoxy-4-(2-propenyl)phenol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067147	3,7,15-Trihydroxy-8-scirpenone, 3-O-?-D-Glucopyranoside 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067148	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 2-Ac 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067149	4-(2-Propenyl)-1,2-benzenediol; 1-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067150	4-(2-Propenyl)-1,2-benzenediol; 2-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067151	4-(2-Propenyl)-1,2-benzenediol; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O11	458.178811	NA	MeJP	NA	NA
+MJ067152	Deacylchelonanthoside; O-(2-Methylbutanoyl) 	C21H30O11	458.178811	NA	MeJP	NA	NA
+PJ001830	NYY 	C22H26N4O7	458.1802	NA	PeJP	NA	NA
+PJ001831	PPDM 	C19H30N4O7S	458.1835	NA	PeJP	NA	NA
+MJ067153	Neotrilobine 	C27H26N2O5	458.184171	NA	MeJP	NA	NA
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR258	Ergothioneine F2	NA	458.186775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR258	Ergothioneine F2	NA	458.186775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR258	Ergothioneine F2	NA	458.186775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR258	Ergothionéine F2	F2	458.186775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR258	Ergothioneine F2	NA	458.186775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR258	Ergothioneine F2	F2	458.186775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ067154	5-Methyltetrahydrofolate 	C21H26N6O6	458.191382	NA	MeJP	NA	NA
+MJ067155	Fluprostenol 	C23H29F3O6	458.191623	NA	MeJP	NA	NA
+MJ067156	2,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-[(2E-Hydroxymethyl-2-butenoyl)oxy]methyl-2E-butenoyl] 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067157	3,3',4,4',9,9'-Hexahydroxylignan, 3,4-Methylene, 3',4'-di-Me ether, 9,9'-di-Ac 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067158	3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-Angeloyl, 8-(2,3-epoxy-2-methylbutanoyl) 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067159	6,9-Dihydroxy-15-oxo-1,3,11(13)-elematrien-12,8-olide, 1R,2-Epoxide, 6,9-diangeloyl 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067160	8,15-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8,15-Bis(4-hydroxy-2-methyl-2Z-butenoyl) 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067161	8,15-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxy-2-methylenebutanoyl), 15-(4-hydroxy-2-methyl-2Z-butenoyl) 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067162	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 8-[2-[(4-Hydroxy-2-hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl] 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067163	Acerogenin C; ?-D-Glucopyranoside 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067164	Alnusdiol; 11-Deoxy, 9-ketone, 2-O-?-D-glucopyranoside 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067165	Austin; O-De-Ac 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067166	Binankadsurin A; Me ether, 7-Ac 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067167	Colensoic acid; 4-Hydroxy 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067168	Exiguaflavanone G; 8'',9''-Dihydro, 8''-hydroxy 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067169	Glomelliferic acid 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067170	Gomisin O; Ac 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067171	Isopatagonic acid 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067172	Miriquidic acid 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067173	Patagonic acid 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067174	Prasanthalin; 2,6-Dihydro 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067175	Prednisone; 21-(3-Carboxypropanoyl) 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067176	Tricoccin S24 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067177	Tricoccin S27 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067178	Tricoccin S4; 8,9-Dihydro, 8?,9?-dihydroxy, 7-epimer 	C25H30O8	458.194067	NA	MeJP	NA	NA
+MJ067179	Tricoccin S6 	C25H30O8	458.194067	NA	MeJP	NA	NA
+PJ001832	ATMH 	C18H30N6O6S	458.1948	NA	PeJP	NA	NA
+MJ067180	Lexipafant 	C23H30N4O4S	458.198776	NA	MeJP	NA	NA
+6987	coeliac toxic peptide	PSQQ	458.2	antioxidative	Inhouse_peptide	NA	peptide
+7883	peptide from tropomyosin, pork muscles	EELDNALN	458.20085	MH2+	Inhouse_peptide	NA	peptide
+PJ001833	PVDE 	C19H30N4O9	458.2013	NA	PeJP	NA	NA
+32	Myofibrillar	EELDNALN	458.2015	MH2+	Inhouse_peptide	NA	peptide
+MJ067181	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 6-O-(1-Methyl-2-pyrrolecarbonyl), 3-O-(3,4,5-trimethoxybenzoyl) 	C24H30N2O7	458.205301	NA	MeJP	NA	NA
+MJ067182	6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one, 1-(2-Hydroxyoctanoyl) 	C23H35ClO7	458.207131	NA	MeJP	NA	NA
+MJ067183	Avitriptan 	C22H30N6O3S	458.210009	NA	MeJP	NA	NA
+PJ001834	TTTH 	C18H30N6O8	458.2125	NA	PeJP	NA	NA
+MJ067184	Pobilukast 	C26H34O5S	458.212694	NA	MeJP	NA	NA
+MJ067185	2-Hydroxy-13-nor-7-daucene-12,14-dioic acid; 2?-form, 2-O-?-D-Glucopyranoside, di-Me ester 	C22H34O10	458.215197	NA	MeJP	NA	NA
+MJ067186	2-Methyl-6-methylene-2-octene-1,8-diol, 1-Ac, 8-O-(2,6-diacetyl-?-D-glucopyranoside) 	C22H34O10	458.215197	NA	MeJP	NA	NA
+8269	f(118-121) of bovine kappa casein	EIPT	458.225	NA  ;SYN:(Methylamino)acetate; (Methylamino)acetic acid; (Methylamino)ethanoate; (Methylamino)ethanoic acid; Methylglycine; N-Methylaminoacetate; N-Methylaminoacetic acid; N-Methylglycine; N-methyl-Glycine; Sarcosin; Sarcosinate; Sarcosine; Sarcosinic acid; (methylamino)-Acetate; (methylamino)-Acetic acidH2Blood; Saliva; Urine	Inhouse_peptide	NA	peptide
+3387	ACE inhibitor	RFH	458.227	celiac toxic	Inhouse_peptide	NA	peptide
+8057	synthetic peptide	RHF	458.227	antioxidative	Inhouse_peptide	NA	peptide
+PJ001835	GVHF 	C22H30N6O5	458.2278	NA	PeJP	NA	NA
+MJ067187	1,2,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2-di-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067188	1,3,5,14-Tetrahydroxybufa-20,22-dienolide, 16?-Hydroxy, 1,3,5-orthoacetate 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067189	1,6,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6-di-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067190	14,15-Epoxy-3,12,16-trihydroxybufa-20,22-dienolide, 16-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067191	14,15-Epoxy-3,16,19-trihydroxybufa-20,22-dienolide, 16-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067192	2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-(2-methylpropanoyl), 14-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067193	23-Methylauricepyrone 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067194	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067195	3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 6-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067196	3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(3-methyl-2-butenoyl), Me ester 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067197	7,11,15-Trihydroxy-1,16-kauradien-3-one, Tri-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067198	Anziaic acid; 2',4-Di-Me ether 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067199	Anziaic acid; 2,2'-Di-Me ether 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067200	Anziaic acid; 2,4-Di-Me ether 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067201	Fumagillin 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067202	Rietone; 8-Ac 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067203	Salannic acid 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067204	Strobilurin I; 2''-O-(2,3-Epoxy-3-methylbutanyl) 	C26H34O7	458.230453	NA	MeJP	NA	NA
+MJ067205	Strobilurin I; 8-Hydroxy, 2''-O-(3-methyl-2-butenyl) 	C26H34O7	458.230453	NA	MeJP	NA	NA
+C08867	Hellebrigenin 3-acetate	C26H34O7	458.2305	NA	KEGG	NA	NA
+C09668	Fumagillin	C26H34O7	458.2305	NA	KEGG	NA	NA
+C16932	Cinobufotalin	C26H34O7	458.2305	NA	KEGG	NA	NA
+HMDB02504	3-Sulfodeoxycholic acid	C23H38O7S	458.233826	NA	HMDB2010	NA	NA
+HMDB02504	3-Sulfodeoxycholic acid	C23H38O7S	458.23383	http://www.hmdb.ca/metabolites/HMDB02504	HMDB	NA	NA
+HMDB02504	3-Sulfodeoxycholic acid	C23H38O7S	458.23383	HMDB02504	PFEM_hmdb_metabocards_official	NA	NA
+PJ001836	PTLE 	C20H34N4O8	458.2377	NA	PeJP	NA	NA
+PJ001837	HFR 	C21H30N8O4	458.239	NA	PeJP	NA	NA
+MJ067206	13-Hydroxylupanine; O-(3,4,5-Trimethoxybenzoyl) 	C25H34N2O6	458.241686	NA	MeJP	NA	NA
+MJ067207	Ngouniensine; 10- or 11-Glucosyloxy 	C25H34N2O6	458.241686	NA	MeJP	NA	NA
+MJ067208	Bracteatine 	C25H35N2O6(+)	458.241686	NA	MeJP	NA	NA
+FL1C1ANP0006	Sophoradochromene	C30H34O4	458.2457	23057-58-1	knapsack	NA	NA
+FL1DA9NR0002	3'-Prenylrubranine	C30H34O4	458.2457	116133-67-6	knapsack	NA	NA
+FL2F1ANP0003	Sophoranochromene	C30H34O4	458.2457	23057-59-2	knapsack	NA	NA
+MJ067209	Adenostin A 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067210	Adenostin B 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067211	Bilindestrenolide 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067212	Petrosynol; 15,16-Dihydro, tetraketone 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067213	Rubranine; 3'-(3-Methyl-2-butenyl) 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067214	Sophoradochromene 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067215	Sophoranochromene 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067216	Virgaurin A 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067217	Virgaurin B 	C30H34O4	458.245709	NA	MeJP	NA	NA
+MJ067218	Astemizole 	C28H31FN4O	458.248189	NA	MeJP	NA	NA
+C06832	Astemizole	C28H31FN4O	458.2482	NA	KEGG	NA	NA
+C06833	Transferred to D00235	C28H31FN4O	458.2482	NA	KEGG	NA	NA
+PJ001838	SPQK 	C19H34N6O7	458.2489	NA	PeJP	NA	NA
+MJ067219	2-Methyl-6-methylene-2-octene-1,8-diol, 1-O-[3(or 6)-Acetyl-6(or 3)-(3-methylbutanoyl)-?-D-glucopyranoside] 	C23H38O9	458.251582	NA	MeJP	NA	NA
+MJ067220	Albocycline; 2,3-Dihydro 7-O-de-Me, 7-O-?-D-glucopyranoside 	C23H38O9	458.251582	NA	MeJP	NA	NA
+MJ067221	Albocycline; 5,6-Dihydro, 7-O-de-Me, 7-O-?-D-glucopyranoside 	C23H38O9	458.251582	NA	MeJP	NA	NA
+MJ067222	Gingerdiols; [6]-Gingerdiol, 4'-O-?-D-Glucopyranoside 	C23H38O9	458.251582	NA	MeJP	NA	NA
+MJ067223	Gingerdiols; [6]-Gingerdiol, 5-O-?-D-Glucopyranoside 	C23H38O9	458.251582	NA	MeJP	NA	NA
+PJ001839	PPVF 	C24H34N4O5	458.2529	NA	PeJP	NA	NA
+PJ001840	PVLM 	C21H38N4O5S	458.2563	NA	PeJP	NA	NA
+PJ001841	GVQR 	C18H34N8O6	458.2602	NA	PeJP	NA	NA
+C08182	Prednisolone tebutate	C27H38O6	458.2668	NA	KEGG	NA	NA
+MJ067224	15,16-Epoxy-12-cleistathen-11-one, 17-Acetoxy, 3?-angeloyloxy 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067225	15-Isopimarene-6,7,8,9,20-pentol, 20-Benzoyl 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067226	7,15-Dihydroxy-16-kauren-19-oic acid, 7-Angeloyl, 15-Ac 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067227	7-Hydroxy-25,26,27-trinor-3,11,15-trioxo-8-lanosten-24-oic acid 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067228	Deacylcylindrol; 4'-Butanoyl 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067229	Decinnamoyljolkinol B; 3-Tigloyl, 15-Ac 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067230	Luffalactone 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067231	Manoalide; 25-Ac 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067232	Prednisolone; 21-(3,3-Dimethylbutanoyl) 	C27H38O6	458.266838	NA	MeJP	NA	NA
+MJ067233	Thorectolide; 25-Ac 	C27H38O6	458.266838	NA	MeJP	NA	NA
+PJ001842	QRR 	C17H34N10O5	458.2714	NA	PeJP	NA	NA
+PJ001843	VVLE 	C21H38N4O7	458.2741	NA	PeJP	NA	NA
+PJ001844	SPKK 	C20H38N6O6	458.2853	NA	PeJP	NA	NA
+MJ067234	Abyssinine B 	C25H38N4O4	458.289305	NA	MeJP	NA	NA
+MJ067235	Fontaineine 	C25H38N4O4	458.289305	NA	MeJP	NA	NA
+MJ067236	Mucronine C; N-De-Me 	C25H38N4O4	458.289305	NA	MeJP	NA	NA
+PJ001845	GVKR 	C19H38N8O5	458.2965	NA	PeJP	NA	NA
+MJ067237	1,3,20-Trihydroxywitha-5,24-dienolide 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067238	1,3,27-Trihydroxywitha-5,24-dienolide 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067239	1-(2,5-Dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-2,6-hexadecadiene-5,12-dione, 1'-Me ether 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067240	11,18:18,20:22,25-Triepoxy-24-methylfurostan-3-ol 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067241	12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal, 12-Ketone, Ac 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067242	12,22,24-Trihydroxy-24-methyl-16-scalaren-25-oic acid, 25?12 Lactone, 23-Ac 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067243	12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 22-Ac 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067244	12,22-Dihydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 12-Ac 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067245	2,12-Dihydroxy-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethyl-3,10,14-hexadecatrien-5-one 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067246	2-(5,13-Dihydroxy-3,7,11,15-tetramethyl-12-oxo-2,6,14-hexadecatrienyl)-4-methoxy-6-methylphenol 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067247	3,8,12-Trihydroxy-11(13)-eremophilen-9-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067248	3,9,12-Trihydroxy-7(11)-eremophilen-8-one, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067249	3,9,12-Trihydroxy-7(11)-eremophilen-8-one, 3-O-(5-Methyl-2,4,6-dodecatrienoyl)(E,E,E-) 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067250	3-Clerodene-6,15,17,18-tetrol, 17-Phenylacetyl 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067251	5,12-Dihydroxy-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethyl-2,10,14-hexadecatrien-4-one 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067252	5,6-Epoxy-4-hydroxy-1-oxowithanolide 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067253	8,12-Epoxy-11(13)-eremophilene-3,8,9-triol, 3-(5-Methyl-2E,4E,6E-dodecatrienoyl) 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067254	Antibiotic Mer-NF 8054X 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067255	Dryofragin 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067256	Ergokonin B 	C28H42O5	458.303224	NA	MeJP	NA	NA
+MJ067257	Tubocapsigenin A 	C28H42O5	458.303224	NA	MeJP	NA	NA
+PJ001846	KRR 	C18H38N10O4	458.3078	NA	PeJP	NA	NA
+PJ001847	TLLL 	C22H42N4O6	458.3105	NA	PeJP	NA	NA
+MJ067258	3-Hydroxy-6'-apo-?-caroten-6'-al 	C32H42O2	458.31848	NA	MeJP	NA	NA
+PJ001848	ALKK 	C21H42N6O5	458.3217	NA	PeJP	NA	NA
+MJ067259	Fluvirucin A; Fluvirucin A2 	C24H46N2O6	458.335587	NA	MeJP	NA	NA
+MJ067260	17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-en-24-one 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067261	2-(Methoxycarbonyl)-5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067262	2-Eicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067263	24-Hydroperoxy-6-hydroxystigmasta-4,28-dien-3-one 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067264	28-Nor-16,21-oleanadiene-3,19,23,29-tetrol 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067265	3,11-Dihydroxy-24-nor-20(29)-lupen-28-oic acid 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067266	3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067267	3,21-Dihydroxy-30-nor-20(29)-friedelen-27-oic acid 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067268	3,4-Dihydroxy-23-nor-12,20(29)-oleanadien-28-oic acid 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067269	3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067270	3-Hydroxy-30-nor-20-oxo-28-lupanoic acid 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067271	6,20-Dihydroxy-27-nor-23-dammarene-3,25-dione 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067272	Aragusterol A 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067273	Baccatin 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067274	Eucosterol; 15-Deoxo 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067275	Viburnol E 	C29H46O4	458.339609	NA	MeJP	NA	NA
+MJ067276	3,20-Diaminopregn-16-ene-2,4-diol, N20,N20-Di-Me, N3-tigloyl 	C28H46N2O3	458.350843	NA	MeJP	NA	NA
+MJ067277	Tetrahydro-4-hydroxy-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one 	C26H50O6	458.360739	NA	MeJP	NA	NA
+MJ067278	11,21-Dihydroxy-1-gammaceranone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067279	12,20-Dihydroxydammar-25-en-3-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067280	12-Oleanene-1,3,11-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067281	12-Oleanene-1,3,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067282	12-Oleanene-2,3,19-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067283	12-Oleanene-2,3,22-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067284	12-Oleanene-2,3,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067285	12-Oleanene-2,3,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067286	12-Oleanene-3,11,21-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067287	12-Oleanene-3,15,24-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067288	12-Oleanene-3,16,22-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067289	12-Oleanene-3,16,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067290	12-Oleanene-3,19,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067291	12-Oleanene-3,21,22-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067292	12-Oleanene-3,21,24-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067293	12-Oleanene-3,22,24-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067294	12-Oleanene-3,22,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067295	12-Oleanene-3,22,30-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067296	12-Oleanene-3,28,29-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067297	12-Oleanene-3,9,11-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067298	12-Ursene-2,3,22-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067299	12-Ursene-2,3,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067300	12-Ursene-3,11-diol, 11-Hydroperoxide 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067301	12-Ursene-3,16,21-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067302	12-Ursene-3,19,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067303	12-Ursene-3,22,30-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067304	12-Ursene-3,24,30-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067305	13(18)-Oleanene-2,3,11-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067306	13(18)-Oleanene-3,16,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067307	13,28-Epoxy-3,16-oleananediol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067308	14,26-Epoxy-3,21-serratanediol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067309	14-Serratene-3,21,24-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067310	14-Serratene-3,21,30-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067311	16,20-Dihydroxydammar-24-en-3-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067312	16,24-Epoxy-25-hydroxycycloartan-3-one, 3?-Alcohol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067313	16,28-Dihydroxy-3-friedelanone; 16?-form 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067314	16,30-Dihydroxy-3-friedelanone; 16?-form 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067315	2,21-Dihydroxy-3-friedelanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067316	2,29-Dihydroxy-3-friedelanone; 2?-form 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067317	2-(3-Methyl-2-butenyl)-1,4-benzenediol; 4-Me ether, 1-octadecanoyl 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067318	20(29)-Lupene-1,3,11-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067319	20(29)-Lupene-1,3,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067320	20(29)-Lupene-2,3,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067321	20(29)-Lupene-3,16,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067322	20(29)-Lupene-3,23,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067323	20(29)-Lupene-3,24,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067324	20(29)-Lupene-3,6,16-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067325	20(29)-Lupene-3,6,7-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067326	20(30)-Lupene-3,28,29-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067327	20(30)-Taraxastene-3,16,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067328	20,25-Dihydroxydammar-23-en-3-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067329	20,25-Epoxydammarane-3,24-diol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067330	20,26-Dihydroxy-24-dammaren-3-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067331	20-Taraxastene-3,16,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067332	20-Taraxastene-3,16,30-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067333	21,26-Dihydroxy-3-friedelanone; 21?-form 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067334	21,26-Dihydroxy-3-friedelanone; 21?-form 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067335	21,30-Dihydroxy-3-friedelanone; 21?-form 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067336	22,25-Dihydroxy-1-hopanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067337	22,25-Epoxycycloartane-3,24-diol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067338	22-Hydroxy-23-hopanoic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067339	22-Hydroxy-27-hopanoic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067340	24,25-Epoxytirucall-7-ene-3,23-diol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067341	24-Hydroperoxycycloart-25-en-3-ol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067342	25,28-Dihydroxy-3-friedelanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067343	28,29-Dihydroxy-3-friedelanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067344	28,30-Dihydroxy-3-friedelanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067345	3,11,20-Lupanetriol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067346	3,20,28-Lupanetriol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067347	3,21-Dihydroxy-8-onoceren-7-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067348	3,25-Dihydroxydammar-20-en-24-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067349	3,25-Epoxy-3,20-lupanediol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067350	3,28-Dihydroxycycloartan-24-one 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067351	3,4-Seco-4(23)-stictene-3,22-diol; 22?-form, 3-Carboxylic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067352	3-Hydroxy-27-friedelanal, 27-Carboxylic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067353	3-Hydroxy-27-friedelanal; 3?-form, 27-Carboxylic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067354	3-Hydroxy-28-ursanoic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067355	3-Hydroxy-4-methylene-8,14-secostigmastane-8,14-dione 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067356	3-Hydroxylanostane-7,11-dione 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067357	4,28-Dihydroxy-3,4-seco-3-friedelanoic acid; Lactone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067358	5,6-Epidioxyadianine 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067359	5-Hopene-3,16,22-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067360	6,20-Dihydroxy-3-lupanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067361	6,21-Dihydroxy-3-friedelanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067362	6,26-Dihydroxy-3-friedelanone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067363	9(11)-Fernene-3,7,19-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067364	Chinensiol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067365	Cucurbita-5,24-diene-3,22,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067366	Cycloart-22-ene-3,20,25-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067367	Cycloart-23-ene-3,25,28-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067368	Cycloart-23-ene-3,25-diol, 25-Hydroperoxide 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067369	Cycloart-24-ene-3,11,16-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067370	Cycloart-24-ene-3,16,21-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067371	Cycloart-24-ene-3,16,22-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067372	Cycloart-24-ene-3,21,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067373	Cycloart-24-ene-3,21,26-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067374	Cycloart-24-ene-3,22,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067375	Cycloart-24-ene-3,22,26-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067376	Cycloart-25-ene-3,24,27-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067377	Cycloart-25-ene-3,24-diol, 24-Hydroperoxide 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067378	Cycloartane-3,24,25-triol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067379	Dammar-24-ene-3,11,20-triol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067380	Dammar-24-ene-3,12,20-triol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067381	Dammar-24-ene-3,19,20-triol, 19-Aldehyde 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067382	Dammar-24-ene-3,20,21-triol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067383	Dammara-20(22),24-diene-3,6,12-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067384	Dammara-20,23-diene-3,25-diol, 25-Hydroperoxide 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067385	Dammarenolic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067386	Elenic acid 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067387	Eupha-7,24-diene-3,11,16-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067388	Gilvanol; 3-Deoxy 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067389	Gorgost-5-ene-1,3,11-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067390	Grandinolide 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067391	Iridogermanal; 10,21-Dideoxy, 17?-hydroxy 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067392	Iridogermanal; 10,21-Dideoxy, 18,19-epoxide 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067393	Iridogermanal; 10-Deoxy 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067394	Iridogermanal; 21-Deoxy 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067395	Lanosta-7,9(11)-diene-3,24,25-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067396	Lanosta-8,23-diene-3,22,25-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067397	Malabaricanediol; 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067398	Reissant-5-ene-3,24,25-triol, 24-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067399	Reissant-5-ene-3,24,25-triol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067400	Secoergosterol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067401	Spirosupinanonediol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067402	Tirucall-7-ene-3,24,25-triol, 3-Ketone 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067403	Tirucalla-7,24-diene-3,21,23-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MJ067404	Tirucalla-7,24-diene-3,23,29-triol 	C30H50O3	458.375995	NA	MeJP	NA	NA
+MetaCyc03626	soyasapogenol B []	C30H50O3	458.375995	NA	metacyc	NA	NA
+C08980	Soyasapogenol B	C30H50O3	458.376	NA	KEGG	NA	NA
+C17421	Soyasapogenol F	C30H50O3	458.376	NA	KEGG	NA	NA
+MJ067405	3,20-Diaminopregnan-12-ol, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl) 	C29H50N2O2	458.387228	NA	MeJP	NA	NA
+MJ067406	3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl) 	C29H50N2O2	458.387228	NA	MeJP	NA	NA
+MJ067407	3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, O-(3-methyl-2-butenoyl) 	C29H50N2O2	458.387228	NA	MeJP	NA	NA
+MJ067408	Pachystermine A; 4?-Alcohol 	C29H50N2O2	458.387228	NA	MeJP	NA	NA
+MJ067409	13,16,19,22,25-Hentriacontapentaenoic acid, 13,14-Dihydro 	C31H54O2	458.41238	NA	MeJP	NA	NA
+MJ067410	2,6,10-Farnesatrien-1-ol, 9-Hexadecenoyl 	C31H54O2	458.41238	NA	MeJP	NA	NA
+MJ067411	20,24-Epoxy-24-methyldammaran-3-ol 	C31H54O2	458.41238	NA	MeJP	NA	NA
+MJ067412	?-Anincanol 	C31H54O2	458.41238	NA	MeJP	NA	NA
+MJ067413	Carnaubadiol 	C31H54O2	458.41238	NA	MeJP	NA	NA
+MJ067414	N,N,N'-Tris(2-hydroxyethyl)-N'-octadecyl-1,3-propanediamine 	C27H58N2O3	458.444743	NA	MeJP	NA	NA
+2802	PEP inhibitor	QPPPAPGPGT	458.722	MH2+	Inhouse_peptide	NA	peptide
+MJ067415	Herbacic acid 	C14H19Cl6NO3	458.949609	NA	MeJP	NA	NA
+MJ067416	Purealidin H 	C14H15Br2N5O3	458.954164	NA	MeJP	NA	NA
+MJ067417	Fubrogonium(1+), Iodide 	C14H23BrINO3	458.990599	NA	MeJP	NA	NA
+MJ067418	Sporidesmin; 8-N-De-Me 	C17H18ClN3O6S2	459.032554	NA	MeJP	NA	NA
+C16768	Sporidesmin J	C17H18ClN3O6S2	459.0326	NA	KEGG	NA	NA
+MJ067419	Ticolubant 	C23H19Cl2NO3S	459.046269	NA	MeJP	NA	NA
+MJ067420	Chondroitin sulfate 	C14H21NO14S	459.068275	NA	MeJP	NA	NA
+MJ067421	Dermatan sulfate 	C14H21NO14S	459.068275	NA	MeJP	NA	NA
+MetaCyc03627	4-deoxy-&beta;-D-gluc-4-enuronosyl-(1,4)-N-acetyl-D-galactosamine 4-sulfate []	C14H21N1O14S1	459.068275	NA	metacyc	NA	NA
+MetaCyc03628	4-deoxy-&beta;-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate []	C14H21N1O14S1	459.068275	NA	metacyc	NA	NA
+C04864	4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine	C14H21NO14S	459.0683	NA	KEGG	NA	NA
+C04865	4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine	C14H21NO14S	459.0683	NA	KEGG	NA	NA
+C04866	alpha-D-Galactosyl-(1,3)-[alpha-L-fucosyl-(1,2)]-D-galactoside	C18H31O15R	459.0683	NA	KEGG	NA	NA
+MJ067422	Antibiotic SB 212305 	C20H17N3O8S	459.073635	NA	MeJP	NA	NA
+MJ067423	Salazodimethoxine 	C19H17N5O7S	459.084868	NA	MeJP	NA	NA
+MJ067424	(1,2-Cyclohexanediamine-N,N')[?-hydroxybenzeneacetato(2-)]platinum(II) 	C14H20N2O3Pt	459.112166	NA	MeJP	NA	NA
+MJ067425	Phosmidosine; O-De-Me 	C15H22N7O8P	459.126747	NA	MeJP	NA	NA
+MJ067426	Buprestin A 	C21H21N3O9	459.127779	NA	MeJP	NA	NA
+MJ067427	Nitrocycline 	C21H21N3O9	459.127779	NA	MeJP	NA	NA
+MJ067428	[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone 	C27H25NO4S	459.150428	NA	MeJP	NA	NA
+MJ067429	Brazergoline 	C23H30BrN3O2	459.152139	NA	MeJP	NA	NA
+7924	synthetic peptide	DYY	459.1529	antioxidative	Inhouse_peptide	NA	peptide
+7925	synthetic peptide	YDY	459.1529	antioxidative	Inhouse_peptide	NA	peptide
+7926	synthetic peptide	YYD	459.1529	antioxidative	Inhouse_peptide	NA	peptide
+MJ067430	2-Acetyl-2-decarboxamidotetracycline; 5-Hydroxy 	C23H25NO9	459.152931	NA	MeJP	NA	NA
+MJ067431	Azicemicin A 	C23H25NO9	459.152931	NA	MeJP	NA	NA
+MJ067432	Narceinone 	C23H25NO9	459.152931	NA	MeJP	NA	NA
+PJ001849	SCNH 	C16H25N7O7S	459.1536	NA	PeJP	NA	NA
+PJ001850	PNDD 	C17H25N5O10	459.1602	NA	PeJP	NA	NA
+MJ067433	Fenoverine 	C26H25N3O3S	459.161662	NA	MeJP	NA	NA
+PJ001851	DYY 	C22H25N3O8	459.1642	NA	PeJP	NA	NA
+MJ067434	Onetine; 20-Deoxy, 20-chloro, O12-Ac 	C21H30ClNO8	459.165994	NA	MeJP	NA	NA
+C10286	Doronine	C21H30ClNO8	459.166	NA	KEGG	NA	NA
+PJ001852	GSPPC 	C18H29N5O7S	459.1788	NA	PeJP	NA	NA
+PJ001853	MFY 	C23H29N3O5S	459.1828	NA	PeJP	NA	NA
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.1866	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.1866	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.1866	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.1866	Wishlist	Inhousejuil11	NA	NA
+C00440	5-Methyltetrahydrofolate	C20H25N7O6	459.1866	NA	KEGG	NA	NA
+HMDB01396	5-Methyltetrahydrofolic acid	C20H25N7O6	459.18661	http://www.hmdb.ca/metabolites/HMDB01396	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01396	5-Methyltetrahydrofolic acid	C20H25N7O6	459.18661	http://www.hmdb.ca/metabolites/HMDB01396	HMDB	NA	NA
+HMDB01396	5-Methyltetrahydrofolic acid	C20H25N7O6	459.18661	http://www.hmdb.ca/metabolites/HMDB01396	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01396	5-Methyltetrahydrofolic acid	C20H25N7O6	459.18661	HMDB01396	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc03629	5-methyl-THF [N5-methyltetrahydropteroyl mono-L-glutamate;5-methyl-tetrahydrofolate;5-methyl-5,6,7,8-tetrahydrofolate;n5-methyltetrahydrofolate;N5-methyl-THF;methyl-THF;methyl-tetrahydrofolate;methyl-H4F;]	C20H25N7O6	459.186632	134-35-0	metacyc	NA	NA
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	HMDB	NA	NA
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	Inhouse_PFEM	NA	NA
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR062	5-methyltetrahydrofolate	C20H25N7O6	459.186633	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01396	5-Methyltetrahydrofolic acid	C20H25N7O6	459.186646	NA	HMDB2010	NA	NA
+MJ067435	Mederrhodin B; 6-Deoxy 	C24H29NO8	459.189316	NA	MeJP	NA	NA
+MJ067436	Narcotinediol; ?-Ac 	C24H29NO8	459.189316	NA	MeJP	NA	NA
+PJ001854	SPQE 	C18H29N5O9	459.1965	NA	PeJP	NA	NA
+PJ001855	GGPTE 	C18H29N5O9	459.1966	NA	PeJP	NA	NA
+MJ067437	Fluazacort 	C25H30FNO6	459.205715	NA	MeJP	NA	NA
+MJ067438	Antibiotic LL-AB664? 	C17H29N7O8	459.20776	NA	MeJP	NA	NA
+MJ067439	Antibiotic SF 701 	C17H29N7O8	459.20776	NA	MeJP	NA	NA
+PJ001856	GQQQ 	C17H29N7O8	459.2078	NA	PeJP	NA	NA
+PJ001857	GPTW 	C22H29N5O6	459.2118	NA	PeJP	NA	NA
+PJ001858	PVNM 	C19H33N5O6S	459.2152	NA	PeJP	NA	NA
+PJ001859	FFF 	C27H29N3O4	459.2158	NA	PeJP	NA	NA
+PJ001860	GNNR 	C16H29N9O7	459.219	NA	PeJP	NA	NA
+C15758	Lankacidin C	C25H33NO7	459.2257	NA	KEGG	NA	NA
+MJ067440	Antibiotic Q 1047R-A; Quinone 	C25H33NO7	459.225702	NA	MeJP	NA	NA
+MJ067441	Bundlin A 	C25H33NO7	459.225702	NA	MeJP	NA	NA
+MJ067442	Heterophylline; 19-Oxo, O1,O8-di-Ac 	C25H33NO7	459.225702	NA	MeJP	NA	NA
+PJ001861	GPMR 	C18H33N7O5S	459.2264	NA	PeJP	NA	NA
+MJ067443	Revizinone 	C26H29N5O3	459.227039	NA	MeJP	NA	NA
+PJ001862	SPKE 	C19H33N5O8	459.2329	NA	PeJP	NA	NA
+8167	peptide derived from human fibrinogen a-chain	RGDX	459.2329	antibacterial	Inhouse_peptide	NA	peptide
+EUR856	Lyso PE 18:4 [M-H-CH3]-	C23H40NO7P	459.238592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR856	Lyso PE 18:4 [M-H-CH3]-	C23H40NO7P	459.238592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR856	Lyso PE 18:4 [M-H-CH3]-	C23H40NO7P	459.238592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR856	Lyso PE 18:4 [M-H-CH3]-	C23H40NO7P	459.238592	masses lipides attendues	Inhousejuil11	NA	NA
+MJ067444	Hetisine; O13-Cinnamoyl 	C29H33NO4	459.240958	NA	MeJP	NA	NA
+C07966	Cerivastatin	C26H34FNO5	459.2421	NA	KEGG	NA	NA
+MJ067445	Cerivastatin 	C26H34FNO5	459.242101	NA	MeJP	NA	NA
+MJ067446	Panax ginseng Tetrapeptide 	C18H33N7O7	459.244146	NA	MeJP	NA	NA
+PJ001863	GVER 	C18H33N7O7	459.2442	NA	PeJP	NA	NA
+PJ001864	AALW 	C23H33N5O5	459.2482	NA	PeJP	NA	NA
+PJ001865	PCLK 	C20H37N5O5S	459.2516	NA	PeJP	NA	NA
+PJ001866	ERR 	C17H33N9O6	459.2554	NA	PeJP	NA	NA
+PJ001867	VRW 	C22H33N7O4	459.2594	NA	PeJP	NA	NA
+MJ067447	Anopterine; O11-Detigloyl 	C26H37NO6	459.262087	NA	MeJP	NA	NA
+MJ067448	Lankacyclinol; 12-O-Ac 	C26H37NO6	459.262087	NA	MeJP	NA	NA
+C12333	Militarinone A	C26H37NO6	459.2621	NA	KEGG	NA	NA
+PJ001868	ALKE 	C20H37N5O7	459.2693	NA	PeJP	NA	NA
+MJ067449	3-[(2-Cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)-4-imidazolidineheptanoic acid 	C25H37N3O5	459.273321	NA	MeJP	NA	NA
+PJ001869	ATLR 	C19H37N7O6	459.2806	NA	PeJP	NA	NA
+MJ067450	7-[3-[[3-[(4-Ethylphenyl)thio]-2-hydroxypropyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid 	C27H41NO3S	459.280714	NA	MeJP	NA	NA
+MJ067451	Tubulosine, Deoxy 	C29H37N3O2	459.288577	NA	MeJP	NA	NA
+C11817	Deoxytubulosine	C29H37N3O2	459.2886	NA	KEGG	NA	NA
+MJ067452	Alkaloid SN-c; 27-Carboxylic acid 	C27H41NO5	459.298473	NA	MeJP	NA	NA
+MJ067453	Piericidin; Piericidin A2, 10'-Me ether, 11',12'-epoxide 	C27H41NO5	459.298473	NA	MeJP	NA	NA
+MJ067454	Piericidin; Piericidin A3, 11',12'-Epoxide 	C27H41NO5	459.298473	NA	MeJP	NA	NA
+MJ067455	Verdine 	C27H41NO5	459.298473	NA	MeJP	NA	NA
+PJ001870	SLLK 	C21H41N5O6	459.3057	NA	PeJP	NA	NA
+PJ001871	GKKK 	C20H41N7O5	459.3169	NA	PeJP	NA	NA
+MJ067456	Turosteride 	C27H45N3O3	459.346092	NA	MeJP	NA	NA
+MJ067457	2-Aminobenzoic acid; N-Docosanoyl 	C29H49NO3	459.371244	NA	MeJP	NA	NA
+MJ067458	3-Desamino-3-hydroxysolanocapsine; O22-Et 	C29H49NO3	459.371244	NA	MeJP	NA	NA
+C15445	1'H-5alpha-Cholest-2-eno[3,2-b]indole	C33H49N	459.3865	NA	KEGG	NA	NA
+MJ067459	1,4,6-Tribromo-3,7-dichloro-3,7-dimethyl-2-octanol 	C10H17Br3Cl2O	459.820658	NA	MeJP	NA	NA
+MJ067460	1,4,7-Tribromo-3,6-dichloro-3,7-dimethyl-2-octanol 	C10H17Br3Cl2O	459.820658	NA	MeJP	NA	NA
+MJ067461	[1,2-Ethanediylbis(imino-4,1-phenylene)]bisarsonic acid 	C14H18As2N2O6	459.959679	NA	MeJP	NA	NA
+MJ067462	Amathaspiramide C; 2-Oxo, N1-Me 	C16H18Br2N2O4	459.963332	NA	MeJP	NA	NA
+FL3FAENSS003	Luteolin 4'-methyl ether 7,3'-disulfate	C16H12O12S2	459.97701	59176-64-6	knapsack	NA	NA
+FL3FEANSS003	Hispidulin 7,4'-disulfate	C16H12O12S2	459.97701	111509-38-7	knapsack	NA	NA
+MJ067463	3',5,7-Trihydroxy-4'-methoxyflavone; 3',7-Disulfate 	C16H12O12S2	459.977017	NA	MeJP	NA	NA
+MJ067464	4',5,7-Trihydroxy-6-methoxyflavone; 4',7-Di-O-sulfate 	C16H12O12S2	459.977017	NA	MeJP	NA	NA
+MJ067465	Ciclotizolam 	C20H18BrClN4S	460.012407	NA	MeJP	NA	NA
+MJ067466	4,6,8-Trichloro-2-hexanoyl-1,9-dihydroxy-3,7-dimethoxydibenzofuran 	C20H19Cl3O6	460.024721	NA	MeJP	NA	NA
+MJ067467	Haiderin; 2,7-Dichloro, 8-Me ether 	C20H19Cl3O6	460.024721	NA	MeJP	NA	NA
+MJ067468	Securamine C 	C20H18BrClN4O2	460.030166	NA	MeJP	NA	NA
+MJ067469	Barbamide 	C20H23Cl3N2O2S	460.054581	NA	MeJP	NA	NA
+C15693	Barbamide	C20H23Cl3N2O2S	460.0546	NA	KEGG	NA	NA
+MJ067470	Protocetraric acid; 1'-Malonyl 	C21H16O12	460.064175	NA	MeJP	NA	NA
+C03486	CDP-N-methylethanolamine	C12H22N4O11P2	460.076	NA	KEGG	NA	NA
+C03488	Complement component C2a	C12H22N4O11P2	460.076	NA	KEGG	NA	NA
+C03489	Complement component C2b	C12H22N4O11P2	460.076	NA	KEGG	NA	NA
+C03490	Complement component C4a	C12H22N4O11P2	460.076	NA	KEGG	NA	NA
+C03491	Cyclic secondary alcohol	C7H13OR	460.076	NA	KEGG	NA	NA
+MetaCyc03630	CDP-N-methylethanolamine []	C12H22N4O11P2	460.076031	NA	metacyc	NA	NA
+MJ067471	Muscarufin 	C25H16O9	460.079432	NA	MeJP	NA	NA
+MJ067472	Ochrephilone; 5-Bromo 	C23H25BrO5	460.088536	NA	MeJP	NA	NA
+MJ067473	Tenuecyclamide A 	C19H20N6O4S2	460.098744	NA	MeJP	NA	NA
+FL3FAAGS0011	Apigenin 7-(6''-methylglucuronide)	C22H20O11	460.10056	53538-13-9	knapsack	NA	NA
+FL3FAAGS0012	Apigenin 7-(6''-methylgalacturonide)	C22H20O11	460.10056	29781-25-7	knapsack	NA	NA
+FL3FABGS0003	Acacetin 7-glucuronide	C22H20O11	460.10056	38226-83-4	knapsack	NA	NA
+FL3FE9GS0006	Baicalein 6-methyl ether 7-glucuronide	C22H20O11	460.10056	36948-76-2	knapsack	NA	NA
+FL3FE9GS0007	Palustrinoside	C22H20O11	460.10056	29673-46-9	knapsack	NA	NA
+FL3FF9GS0005	Wogonin 7-glucuronide	C22H20O11	460.10056	51059-44-0	knapsack	NA	NA
+FLIAACGS0002	5-Hydroxypseudobaptigenin 7-O-glucoside	C22H20O11	460.10056	52663-80-6	knapsack	NA	NA
+FLIAEAGS0002	Irilone 4'-O-glucoside	C22H20O11	460.10056	50868-47-8	knapsack	NA	NA
+MJ067474	2',5,7-Trihydroxyflavone; 2'-Me ether, 7-O-?-D-glucuronopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067475	2,3',4,5',6-Pentahydroxydiphenyl ether; Penta-Ac 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067476	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene ether, 7-O-?-D-glucopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067477	3,6,8-Trihydroxy-1-methylanthraquinone-2-carboxylic acid; 3-Me ether, 6-O-?-D-apiofuranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067478	4',5,7-Trihydroxyflavone; 7-O-?-D-Galacturonopyranoside, Me ester 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067479	4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067480	4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 4'-O-?-D-Glucopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067481	5,6,7-Trihydroxyflavone; 7-Me ether, 5-O-?-D-glucuronopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067482	5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067484	5,7-Dihydroxy-8-methoxyflavone; 7-O-?-D-Glucuronoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067485	Desmoxyphyllin B; 7-O-?-D-Glucopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067486	Lupinalbin A; 1-Me ether, 3-O-?-D-glucopyranoside 	C22H20O11	460.100561	NA	MeJP	NA	NA
+MJ067483	5,7-Dihydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O11	460.100568	NA	MeJP	NA	NA
+MJ067487	Asteroxepin 	C22H24N2O5S2	460.112663	NA	MeJP	NA	NA
+MJ067488	Pimolin 	C26H20O8	460.115817	NA	MeJP	NA	NA
+MJ067489	Cloticasone 	C22H27ClF2O4S	460.128664	NA	MeJP	NA	NA
+MJ067490	Diethoxybis(1-phenyl-1,3-butanedionato-O,O')titanium(IV) 	C24H28O6Ti	460.136535	NA	MeJP	NA	NA
+FL3FAFGS0001	Luteolin 3',4'-dimethyl ether 7-rhamnoside	C23H24O10	460.13694	27637-35-0	knapsack	NA	NA
+FL3FCAGS0004	Apigenin 5,7-dimethyl ether 4'-galactoside	C23H24O10	460.13694	60372-13-6	knapsack	NA	NA
+FL3FCBCS0002	Isoembigenin;8-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C23H24O10	460.13694	20943-11-7	knapsack	NA	NA
+FL3FCBCS0008	Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C23H24O10	460.13694	21089-34-9	knapsack	NA	NA
+FL3FCDGS0001	Luteolin 7,3'-dimethyl ether 5-rhamnoside	C23H24O10	460.13694	83004-74-4	knapsack	NA	NA
+FL3FE9GS0008	7-Hydroxy-5,6-dimethoxyflavone 7-glucoside	C23H24O10	460.13694	79198-77-9	knapsack	NA	NA
+FL3FEAGS0020	Pectolinarigenin 7-rhamnoside	C23H24O10	460.13694	34413-70-2	knapsack	NA	NA
+FL3FF9GS0006	5-Hydroxy-7,8-dimethoxyflavone 5-glucoside	C23H24O10	460.13694	113963-39-6	knapsack	NA	NA
+FL3FF9GS0010	Immaculoside;7-Hydroxy-5,8-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C23H24O10	460.13694	442201-58-3	knapsack	NA	NA
+FLIA1CGS0004	Cladrin 7-O-glucoside	C23H24O10	460.13694	68862-12-4	knapsack	NA	NA
+FLIA2AGS0004	Afrormosin 7-O-glucoside;Wistin	C23H24O10	460.13694	19046-26-5	knapsack	NA	NA
+FLIA3AGS0002	8-O-Methylretusin 7-O-glucoside	C23H24O10	460.13694	68862-13-5	knapsack	NA	NA
+FLIAEAGS0009	Irisolidone 7-O-rhamnoside	C23H24O10	460.13694	88607-82-3	knapsack	NA	NA
+FLNACBGS0001	5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin 5-O-galactoside	C23H24O10	460.13694	117783-73-0	knapsack	NA	NA
+MJ067491	1,3,6-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether, 6-O-?-D-galactopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067492	1,3,6-Trihydroxy-7-methylanthraquinone; 1,3-Di-Me ether, 6-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067493	2',4',5',7-Tetrahydroxyisoflavene; 2'-Me, 4',5'-methylene ether, 7-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067494	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-L-rhamnopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067495	3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067496	4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-L-rhamnopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067497	4',5,7-Trihydroxyflavone; 5,7-Di-Me ether, 4'-O-?-D-galactopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067498	4',5-Dihydroxy-3',7-dimethoxyflavone; 5-O-?-L-Rhamnopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067499	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-galactopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067500	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067501	4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067502	4',7-Dihydroxyflavanone, 4'-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067503	4-[2-(4-Hydroxyphenyl)ethyl]-2-benzofurancarboxylic acid; 5-Hydroxy, ?-D-glucopyranosyl ester 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067504	5,6,7-Trihydroxyflavone; 5,6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067505	5,7,8-Trihydroxyflavone; 7,8-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067506	5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067507	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067508	5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one; 4',7-Di-Me ether, 5-O-?-D-galactopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067509	Epiphrymarol 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067510	Granatomycin D; Me ester 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067511	Isocytisoside; 7-Me ether 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067512	Isophrymarol 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067513	Ononin; 7-O-?-D-Glucopyranoside 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067514	Puerol A; O-?-D-Glucopyranoside(2) 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067515	Spinonin 	C23H24O10	460.136946	NA	MeJP	NA	NA
+MJ067516	Swertisin; 4'-Me ether 	C23H24O10	460.136946	NA	MeJP	NA	NA
+PJ001872	SCDH 	C16H24N6O8S	460.1377	NA	PeJP	NA	NA
+PJ001873	PDDD 	C17H24N4O11	460.1442	NA	PeJP	NA	NA
+MJ067517	Oxytetracycline 	C22H24N2O9	460.14818	NA	MeJP	NA	NA
+MJ067518	Sornidipine 	C22H24N2O9	460.14818	NA	MeJP	NA	NA
+MJ067519	Oxytetracycline 	C22H24N2O9	460.14818	NA	MeJP	NA	NA
+C06624	Oxytetracycline	C22H24N2O9	460.1482	NA	KEGG	NA	NA
+MJ067520	Antibiotic BE 24566B 	C27H24O7	460.152203	NA	MeJP	NA	NA
+MJ067521	Bequinostatin B 	C27H24O7	460.152203	NA	MeJP	NA	NA
+MJ067522	Larreantin 	C27H24O7	460.152203	NA	MeJP	NA	NA
+MJ067523	Rhinacanthin N 	C27H24O7	460.152203	NA	MeJP	NA	NA
+MJ067524	Loxiglumide 	C21H30Cl2N2O5	460.153177	NA	MeJP	NA	NA
+MJ067525	Phenazostatin A 	C28H20N4O3	460.15354	NA	MeJP	NA	NA
+MJ067526	KS 506m 	C24H28O7S	460.155573	NA	MeJP	NA	NA
+PJ001874	ACMH 	C17H28N6O5S2	460.1563	NA	PeJP	NA	NA
+C13684	Clindamycin hydrochloride	C18H33ClN2O5S	460.1565	NA	KEGG	NA	NA
+C13685	Transferred to D02133	C18H33ClN2O5S	460.1565	NA	KEGG	NA	NA
+C13686	Transferred to D02134	C18H33ClN2O5S	460.1565	NA	KEGG	NA	NA
+MJ067527	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-D-apiofuranosyl(1?6)-?-D-glucopyranoside] 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067528	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067529	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067530	2-Hydroxybenzoic acid; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], Me ester 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067531	2-Methyl-1,2,3,4-butanetetrol, 4-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067532	3',4'-Dihydroxyacetophenone; 3'-Me ether, 4'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067533	4,5,6,7,9-Pentahydroxy-8-oxo-2-dodecenoic acid; 4,6,7,9-Tetra-Ac 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067534	Crenatoside; O-De-(3,4-dihydroxycinnamoyl) 	C20H28O12	460.158076	NA	MeJP	NA	NA
+MJ067535	Scandoside; 6-Epimer, 10-Ac, Et ester 	C20H28O12	460.158076	NA	MeJP	NA	NA
+C10715	Paeonolide	C20H28O12	460.1581	NA	KEGG	NA	NA
+MJ067536	Antibiotic RP 1551-1 	C25H29ClO6	460.165266	NA	MeJP	NA	NA
+MJ067537	Antibiotic RP 1551-3; 2'',3''-Dihydro, 3''?-hydroxy 	C25H29ClO6	460.165266	NA	MeJP	NA	NA
+MJ067538	Luteusin C 	C25H29ClO6	460.165266	NA	MeJP	NA	NA
+C09055	6-Acetylpicropolin	C24H28O9	460.1733	NA	KEGG	NA	NA
+FL64ABGM0001	Eruberin A	C24H28O9	460.17333	90146-68-2	knapsack	NA	NA
+MJ067539	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 9,9'-Di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067540	15,16-Epoxy-6-hydroxy-5(10),13(16),14-halimatrien-20,12-olide-18,19-dioic acid, Ac, di-Me ester 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067541	3,10-Epoxy-8,9,15-trihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide, 9-(3-Methylbutanoyl), 8-(2-methylpropenoyl) 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067542	3,3',4,4',7,7'-Hexahydroxy-9,9'-epoxylignan, 3,3'-Di-Me ether, 7,7'-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067543	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-?-L-rhamnopyranoside 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067544	4,18:12,20:15,16-Triepoxy-7,19,20-trihydroxy-13(16),14-clerodadien-6-one, 7,8-Didehydro, 19,20-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067545	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 3,19-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067546	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 7,19-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067547	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 7-Ketone, 6,19-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067548	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6-Ketone, 7,19-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067549	5,8,9-Trihydroxy-2-oxo-1(10),3,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 5,9-di-Ac 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067550	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis-(2-methylpropenoyl), Me ester 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067551	Antibiotic L29-141 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067552	Bipinnatin B; 11,12-Deepoxy(Z-), 17-deoxo, 15S,16-epoxide 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067553	Eruberin A 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067554	Isomallotochromanol 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067555	Mallotochromene; 3,4-Dihydro, 3-hydroxy 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067556	Mallotojaponin; 2''-hydroxy 	C24H28O9	460.173332	NA	MeJP	NA	NA
+MJ067557	Teucrolivin G 	C24H28O9	460.173332	NA	MeJP	NA	NA
+PJ001875	SSMH 	C17H28N6O7S	460.174	NA	PeJP	NA	NA
+PJ001876	GGGAPC 	C17H28N6O7S	460.1741	NA	PeJP	NA	NA
+PJ001877	SPEE 	C18H28N4O10	460.1806	NA	PeJP	NA	NA
+MJ067558	6a,6b,12a,12b-Tetrahydro-3,9-dihydroxy-cyclobuta[1,2-c:3.4-c']bis[1]benzopyran-6,12-dione; Bis(3-methyl-2-butenyl)ether 	C28H28O6	460.188588	NA	MeJP	NA	NA
+MJ067559	7-Deoxy-D-glycero-D-manno-heptitol; Tri-O-benzylidene 	C28H28O6	460.188588	NA	MeJP	NA	NA
+MJ067560	Caleahymenone A 	C28H28O6	460.188588	NA	MeJP	NA	NA
+MJ067561	Gracilixanthone 	C28H28O6	460.188588	NA	MeJP	NA	NA
+MJ067562	Latisxanthone A 	C28H28O6	460.188588	NA	MeJP	NA	NA
+MJ067563	Tovophyllin B 	C28H28O6	460.188588	NA	MeJP	NA	NA
+PJ001878	GQQE 	C17H28N6O9	460.1918	NA	PeJP	NA	NA
+MJ067564	4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O11	460.194461	NA	MeJP	NA	NA
+MJ067565	4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O11	460.194461	NA	MeJP	NA	NA
+MJ067566	4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O11	460.194461	NA	MeJP	NA	NA
+MJ067567	4-(4-Hydroxyphenyl)-2-butanol, 4'-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O11	460.194461	NA	MeJP	NA	NA
+MJ067568	4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O11	460.194461	NA	MeJP	NA	NA
+MJ067569	4-(4-Hydroxyphenyl)-2-butanol, 2-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O11	460.194461	NA	MeJP	NA	NA
+MJ067570	Loniceracetalide A 	C21H32O11	460.194461	NA	MeJP	NA	NA
+PJ001879	PVDM 	C19H32N4O7S	460.1992	NA	PeJP	NA	NA
+C14002	Lincomycin hydrochloride	C18H34N2O6S	460.201	NA	KEGG	NA	NA
+C14003	Transferred to D02224	C18H34N2O6S	460.201	NA	KEGG	NA	NA
+C14005	Transferred to D02226	C18H34N2O6S	460.201	NA	KEGG	NA	NA
+C14006	Transferred to D02227	C18H34N2O6S	460.201	NA	KEGG	NA	NA
+MJ067571	Antibiotic SF 2415B1 	C26H33ClO5	460.201651	NA	MeJP	NA	NA
+PJ001880	GNDR 	C16H28N8O8	460.203	NA	PeJP	NA	NA
+2752	activating kinases and phosphatases peptide	DPSYVNVQ	460.2054	MH2+	Inhouse_peptide	NA	peptide
+PJ001881	QQW 	C21H28N6O6	460.207	NA	PeJP	NA	NA
+PJ001882	GAQW 	C21H28N6O6	460.2071	NA	PeJP	NA	NA
+C10672	Aspidin	C25H32O8	460.2097	NA	KEGG	NA	NA
+C10704	alpha-Kosin	C25H32O8	460.2097	NA	KEGG	NA	NA
+C15429	17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)	C25H32O8	460.2097	NA	KEGG	NA	NA
+MJ067572	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 3-(2-methylpropanoyl), 1-Ac 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067573	1,7-Bis(4-hydroxyphenyl)-3-heptanone; 4''-O-?-D-Glucopyranoside 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067574	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 1-Angeloyl, 8-(2,3-epoxy-2-methylbutanoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067575	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8-Angeloyl, 9-(2,3-epoxy-2-methylbutanoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067576	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 9-Angeloyl, 8-(2,3-epoxy-2-methylbutanoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067577	15,16-Epoxy-3,4,10-trihydroxy-13(16),14-clerodadien-20,12-olide, 8?,17-Epoxy, 3-angeloyl 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067578	2-Hydroxy-3-(3-hydroxy-2,2-dimethylpropyl)-1,4-naphthoquinone; 3'-O-(2,3,6-Trihydroxy-2,6-dimethyl-7-octenoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067579	3,4-Epoxy-2,8-dihydroxy-1(10),11(13)-guaiadien-12,6-olide, 2-(2-Methylbutanoyl), 8-(2,3-epoxy-2-methylbutanoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067580	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl] 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067581	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[4-Hydroxy-2-(tigloyloxymethyl)-2E-butenoyl] 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067582	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl] 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067583	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 8-Angeloyl, 1-(2-hydroxymethyl-2Z-butenoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067584	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 8-Angeloyl, 9-(2-methylbutanoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067585	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Angeloyl, 8-(2-methylbutanoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067586	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[4-Hydroxy-2-(2-hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl] 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067587	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, O-[[4-Hydroxy-2-(2-hydroxymethyl-2Z-butenoyloxy)methyl]-2E-butenoyl] 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067588	Acerogenin A, 12-O-?-D-Glucopyranoside 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067589	Acerogenin A, 4-O-?-D-Glucopyranoside 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067590	Albaspidins; Albaspidin iBiB 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067591	Aspidins; Aspidin BB 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067592	Aurovertin B 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067593	Binankadsurin B; 7-Ac 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067594	Clausenolide 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067595	Cryptochlorophaeic acid 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067596	Eupodienone 2; 9-Ac 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067597	Indaquassin F 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067598	Isoaspidins; Isoaspidin BB 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067599	Klaineanolide A 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067600	Ligulaverin C 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067601	Melanphlone 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067602	Prednisolone; 21-(3-Carboxypropanoate) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067603	Pseudoaspidin 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067604	Ramalinolic acid; 2,4'-Di-Me ether 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067605	Saroaspidin B 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067606	Schkuhripinnatolide A; 8-(4-Hydroxy-2-methyl-2-butenoyl) 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067607	Soulameolide 	C25H32O8	460.209718	NA	MeJP	NA	NA
+MJ067608	?-Kosin 	C25H32O8	460.209718	NA	MeJP	NA	NA
+PJ001883	PCNK 	C18H32N6O6S	460.2104	NA	PeJP	NA	NA
+MJ067609	1-[4-Amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(1-piperidinyl)-1-pentanone 	C25H33ClN2O4	460.212885	NA	MeJP	NA	NA
+MJ067610	Nisterime 	C25H33ClN2O4	460.212885	NA	MeJP	NA	NA
+PJ001884	ALEE 	C19H32N4O9	460.217	NA	PeJP	NA	NA
+PJ001885	APHH 	C20H28N8O5	460.2183	NA	PeJP	NA	NA
+MJ067611	3-[[3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indol-5-yl]amino]-4-methyl-3-cyclobutene-1,2-dione 	C25H28N6O3	460.222288	NA	MeJP	NA	NA
+MJ067612	Sorocenol A 	C29H32O5	460.224974	NA	MeJP	NA	NA
+PJ001886	GQKE 	C18H32N6O8	460.2282	NA	PeJP	NA	NA
+MJ067613	1,3,6-Trihydroxy-11(13)-eudesmen-12-oic acid, 1-O-?-D-Glucopyranoside, Me ester 	C22H36O10	460.230847	NA	MeJP	NA	NA
+PJ001887	PPTF 	C23H32N4O6	460.2322	NA	PeJP	NA	NA
+PJ001888	PTLM 	C20H36N4O6S	460.2356	NA	PeJP	NA	NA
+MJ067614	Cylindrocarine, N-Benzoyl 	C28H32N2O4	460.236207	NA	MeJP	NA	NA
+PJ001889	GTQR 	C17H32N8O7	460.2394	NA	PeJP	NA	NA
+PJ001890	QKW 	C22H32N6O5	460.2434	NA	PeJP	NA	NA
+MJ067615	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Propanoyl, 21-Ac 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067616	17,18-Epoxy-1(19),6,10(17),14-xenicatetraene-11,13,18-triol; Tri-Ac 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067617	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 11?,12?-Epoxide, 2-butanoyl, 14-Ac 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067618	2,9,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Butanoyl, 14-Ac 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067619	3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(2-methylbutanoyl), Me ester 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067620	3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(3-methylbutanoyl), Me ester 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067621	4-[1-[2,6-Dihydroxy-4-methoxy-3-(2-methyl-1-oxopropyl)phenyl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067622	Feropolol; 3'-O-Ac 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067623	Tricoccin S22; 1,2-Dihydro, 1?-hydroxy 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067624	Waixenicin B; 9-Deoxy 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067625	Xenicin; 8-Deacetoxy 	C26H36O7	460.246103	NA	MeJP	NA	NA
+MJ067626	N-Acetylvalyl-N-[2-(1H-indol-3-yl)ethenyl]-N?-methylphenylalaninamide 	C27H32N4O3	460.24744	NA	MeJP	NA	NA
+2871	opioid lipotropin fr:88-91	KKGE	460.251	antibacterial	Inhouse_peptide	NA	peptide
+PJ001891	SLLE 	C20H36N4O8	460.2533	NA	PeJP	NA	NA
+FL1C1ANI0013	Sophoradin	C30H36O4	460.26135	23057-54-7	knapsack	NA	NA
+FL1CQUNI0001	Munchiwarin	C30H36O4	460.26135	213545-46-1	knapsack	NA	NA
+FL2F1ANI0001	Sophoranone;(-)-Sophoranone	C30H36O4	460.26135	23057-55-8	knapsack	NA	NA
+FL6F1CNP0002	Kazinol H	C30H36O4	460.26135	104494-37-3	knapsack	NA	NA
+MJ067627	2',4,4'-Trihydroxy-3,3',5-triprenylchalcone 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067628	4',7-Dihydroxy-3',5',8-triprenylflavanone 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067629	4',7-Dihydroxy-3',6,8-triprenylflavanone 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067630	4,4'-Diapo-4,4'-carotenedioic acid 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067631	4,4a,6,7,8,9,14,15-Octahydro-3,4a,6,11,15-pentamethyl-9-(1-methylethenyl)-13H-acenaphtho[1,8a-b]naphtho[2,1-e][1,4]dioxin-1,2-diol 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067632	4,4a,8,9,10,11,14,15-Octahydro-3,4a,6,11,15-pentamethyl-8-(1-methylethenyl)-13H-acenaphtho[1,8a-b]naphtho[1,2-e][1,4]dioxin-1,2-diol 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067633	Ferruanthrone 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067634	Ferruginin A 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067635	Ferruginin B 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067636	Harongin anthrone 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067637	Harunganin 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067638	Harunganol B 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067639	Kazinol H 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067640	Munchiwarin 	C30H36O4	460.261359	NA	MeJP	NA	NA
+MJ067641	Rudbeckiolide 	C30H36O4	460.261359	NA	MeJP	NA	NA
+C08719	Sophoranone	C30H36O4	460.2614	NA	KEGG	NA	NA
+MJ067642	Fluocortolone; 21-(2,2-Dimethylpropanoyl) 	C27H37FO5	460.262502	NA	MeJP	NA	NA
+PJ001892	GKKE 	C19H36N6O7	460.2646	NA	PeJP	NA	NA
+MJ067643	Zizyphine D; N-De-Me 	C24H36N4O5	460.26857	NA	MeJP	NA	NA
+PJ001893	PVVF 	C24H36N4O5	460.2686	NA	PeJP	NA	NA
+PJ001894	VVLM 	C21H40N4O5S	460.272	NA	PeJP	NA	NA
+PJ001895	GTKR 	C18H36N8O6	460.2758	NA	PeJP	NA	NA
+PJ001896	KKW 	C23H36N6O4	460.2798	NA	PeJP	NA	NA
+MJ067644	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-(3,3-Dimethylbutanoyl) 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067645	11-Eremophilene-3,8,9-triol, 8-Ketone, 3-(4-hex-2Z-enoyloxy-2Z-hexenoyl) 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067646	13,16-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide, 24-Ac 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067647	13,24,25-Trihydroxy-15,17-cheilanthadien-19,25-olide, 24-Ac 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067648	16,24-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide, 24-Ac 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067649	2,3-Secospirostan-3,6-olid-2-oic acid 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067650	2,6-Dihydroxyspirostane-3,12-dione 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067651	2-Hydroxy-8,12-dioxo-4,11(13)-bulgaradien-15-oic acid; 2-Dodecanoyl 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067652	3,9-Dihydroxy-7(11)-eremophilen-8-one, 3-(4-Hex-2Z-enoyloxy-2Z-hexenoyl) 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067653	6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 6-Angeloyl, 7-Ac 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067654	Dactylospongia acetal A 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067655	Luffolide 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067656	Spirosta-5,25(27)-diene-1,2,3,12-tetrol 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067657	Spirosta-5,25(27)-diene-1,3,23,24-tetrol 	C27H40O6	460.282489	NA	MeJP	NA	NA
+MJ067658	Vibsanin H; Di-Me ether 	C27H40O6	460.282489	NA	MeJP	NA	NA
+C13422	Hydrocortisone caproate	C27H40O6	460.2825	NA	KEGG	NA	NA
+C13423	Transferred to D02590	C27H40O6	460.2825	NA	KEGG	NA	NA
+C13424	Zanapezil fumarate	C25H32N2O	460.2825	NA	KEGG	NA	NA
+MJ067659	3-[(4-Acetylphenyl)ethynyl]-3-hydroxypregnan-20-one 	C31H40O3	460.297745	NA	MeJP	NA	NA
+MJ067660	Lysinomycin 	C20H40N6O6	460.300933	NA	MeJP	NA	NA
+PJ001897	SVKK 	C20H40N6O6	460.301	NA	PeJP	NA	NA
+MJ067661	Zeraconine; N-Oxide 	C30H40N2O2	460.308978	NA	MeJP	NA	NA
+MJ067662	12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal, 16-Ac 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067663	2,3,14,22-Tetrahydroxyergosta-7,20-dien-6-one 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067664	2,3,14,22-Tetrahydroxyergosta-7,24(28)-dien-6-one 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067665	2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 11-Ketone, 4-octanoyl 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067666	22,23-Epoxy-2,3,14-trihydroxyergost-7-en-6-one 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067667	24,25-Epoxy-16,24-dihydroxy-24-methyl-12-scalaranone; 16?-form, 16-Ac 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067668	24,25-Epoxy-24-methyl-16-scalarene-12,22,25-triol, 22-Ac 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067669	24,25-Epoxy-24-methyl-16-scalarene-12,22,25-triol, 12-Ac 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067670	3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067671	3,6,11-Trihydroxy-24-nor-9,11-secocholesta-7,22-dien-9-one, 11-Ac 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067672	6,13-Epoxy-4(18),8-eunicelladiene-7,12-diol, Dibutanoyl 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067673	7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067674	9,10-Secoergosta-5,7,10(19),22-tetraene-1,3,24,25,28-pentol 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067675	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 18-Carboxylic acid 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067676	Maesaquinone; Mono-Ac 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067677	Tetrahydro-?-[9-(5-hydroxy-2-methoxy-3-methylphenyl)-3,7-dimethyl-3,7-nonadienyl]-?',?',2-trimethyl-2,5-furandimethanol 	C28H44O5	460.318874	NA	MeJP	NA	NA
+MJ067678	3-Hydroxy-6'-apo-?-caroten-6'-al; 6'-Alcohol 	C32H44O2	460.33413	NA	MeJP	NA	NA
+MJ067679	1,3,11-Trihydroxy-30-nor-20-lupanone 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067680	23-Methylergosta-5,17(20)-diene-3,22,23,25-tetrol 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067681	23-Methylergosta-7,22-diene-3,5,6,9-tetrol 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067682	24,25-Epoxy-20,24-dimethyl-12,24-scalaranediol; 12?-form, 12-Ac 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067683	29-Norcycloart-25-ene-3,23,24-triol, 24-Hydroperoxide 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067684	3,6,20-Trihydroxystigmast-9(11)-en-23-one 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067685	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Eicosyl ester 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067686	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Nonadecyl ester 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067687	Coenzyme Q; Coenzyme Q4, 6',7'R,10',11'R,14',15'-Hexahydro 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067688	Ergosta-7,22-diene-3,5,6,9-tetrol, 6-Me ether 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067689	Lexacalcitol 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067690	Lovenone 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067691	Xestokerol B 	C29H48O4	460.35526	NA	MeJP	NA	NA
+MJ067692	3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-tigloyl 	C28H48N2O3	460.366493	NA	MeJP	NA	NA
+MJ067693	Solanocapsine; 7?-Hydroxy, Me ether 	C28H48N2O3	460.366493	NA	MeJP	NA	NA
+MJ067694	Ronipamil 	C32H48N2	460.381749	NA	MeJP	NA	NA
+MJ067695	1,11,22-Hopanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067696	1,11,29-Hopanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067697	2,3,16-Friedelanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067698	2,3,22-Stictanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067699	2,3,28-Friedelanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067700	2-(4-Hydroxyphenyl)ethanol; 1-O-Docosanoyl 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067701	2-Hydroxy-3,4-seco-3-friedelanoic aid 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067702	20,24-Epoxydammarane-3,25-diol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067703	20,25-Dihydroxydammaran-3-one; 20S-form 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067704	20,25-Epoxydammarane-3,24-diol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067705	23(24?25)-Abeo-20,24-dihydroxy-3-dammaranone 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067706	3,11,13-Oleananetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067707	3,11,20-Lupanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067708	3,11-Dihydroxy-4,23-dimethyl-9,11-secoergost-22-en-9-one 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067709	3,14,21-Serratanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067710	3,15,22-Hopanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067711	3,16,22-Hopanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067712	3,19,20-Ursanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067713	3,20,25-Lupanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067714	3,20,28-Lupanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067715	6,16,22-Hopanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067716	6,7,22-Hopanetriol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067717	Capiquinones; Capiquinone G 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067718	Cycloartane-11,24,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067719	Cycloartane-3,24,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067720	Dammar-20-ene-3,24,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067721	Dammar-23-ene-3,20,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067722	Dammar-24-ene-3,11,20-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067723	Dammar-24-ene-3,12,20-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067724	Dammar-24-ene-3,17,20-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067725	Dammar-24-ene-3,20,21-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067726	Dammar-24-ene-3,20,26-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067727	Dammar-25-ene-3,20,24-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067728	Gorgostane-3,5,6-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067729	Lanost-9(11)-ene-3,24,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067730	Malabaricanediol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067731	Panaxadiol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067732	Reissant-5-ene-3,24,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067733	Stigmast-5-ene-3,7,22-triol, 7-Me ether 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067734	Tirucall-7-ene-3,24,25-triol 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067735	?-Tocopherolhydroquinone; 1,4-Quinone, Me ether 	C30H52O3	460.391645	NA	MeJP	NA	NA
+MJ067736	Araguspongine F 	C29H52N2O2	460.402878	NA	MeJP	NA	NA
+MJ067737	20,32-Cyclobishomo-20,22,31-hopatriene, 32-Ethyl 	C34H52	460.406901	NA	MeJP	NA	NA
+MJ067738	2,6,10-Farnesatrien-1-ol, Hexadecanoyl 	C31H56O2	460.428031	NA	MeJP	NA	NA
+MJ067739	5,9,24-Hentriacontatrienoic acid 	C31H56O2	460.428031	NA	MeJP	NA	NA
+MJ067740	5-Pentacosyl-1,3-benzenediol 	C31H56O2	460.428031	NA	MeJP	NA	NA
+MJ067741	7-Drimen-11-ol, O-Hexadecanoyl 	C31H56O2	460.428031	NA	MeJP	NA	NA
+MJ067742	5,27-Tritriacontadiene 	C33H64	460.500802	NA	MeJP	NA	NA
+3133	ester transferases inhibitor	RMWYVPA	460.7202	MH2+	Inhouse_peptide	NA	peptide
+MJ067743	Bensalan 	C14H10Br3NO2	460.826166	NA	MeJP	NA	NA
+MJ067744	Brotianide 	C15H10Br2ClNO2S	460.848752	NA	MeJP	NA	NA
+MJ067745	Discorhabdin C 	C18H13Br2N3O2	460.937451	NA	MeJP	NA	NA
+MJ067746	Saviprazole 	C15H10F7N3O2S2	461.010265	NA	MeJP	NA	NA
+MJ067747	Oxabrexine 	C18H25Br2NO3	461.020118	NA	MeJP	NA	NA
+MJ067748	Dysidenin; 13-Demethyl, 5-epimer, 9,11-bisdechloro 	C16H23Cl4N3O2S	461.026508	NA	MeJP	NA	NA
+C03928	3-Phosphoglycerol-glutathione	C13H24N3O11PS	461.0869	NA	KEGG	NA	NA
+C12018	SM-17466	C20H21N4O5S2	461.0953	NA	KEGG	NA	NA
+MJ067749	Prulifloxacin 	C21H20FN3O6S	461.105684	NA	MeJP	NA	NA
+MJ067750	Lenampicillin 	C21H23N3O7S	461.12567	NA	MeJP	NA	NA
+C06839	Azlocillin	C20H23N5O6S	461.1369	NA	KEGG	NA	NA
+MJ067751	Azlocillin 	C20H23N5O6S	461.136904	NA	MeJP	NA	NA
+MJ067752	Polyoxin M 	C16H23N5O11	461.139406	NA	MeJP	NA	NA
+MJ067753	4-(2-Nitroethyl)phenol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H27NO12	461.153325	NA	MeJP	NA	NA
+MJ067754	4-(2-Nitroethyl)phenol; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H27NO12	461.153325	NA	MeJP	NA	NA
+MJ067755	Clathrynamide A 	C24H32BrNO3	461.156556	NA	MeJP	NA	NA
+MJ067756	namide A 	C24H32BrNO3	461.156556	NA	MeJP	NA	NA
+PJ001898	PCNE 	C17H27N5O8S	461.1581	NA	PeJP	NA	NA
+MJ067757	Pivcephalexin 	C22H27N3O6S	461.162056	NA	MeJP	NA	NA
+MJ067758	2-(4-Hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenoxy]benzo[b]thiophene-6-ol 	C27H27NO4S	461.166079	NA	MeJP	NA	NA
+C16578	Morphine-6-glucuronide	C23H27NO9	461.1686	NA	KEGG	NA	NA
+C16643	Morphine-3-glucuronide	C23H27NO9	461.1686	NA	KEGG	NA	NA
+MJ067759	Naamidine A; 14-Oxo, O11-Me 	C24H23N5O5	461.169918	NA	MeJP	NA	NA
+PJ001899	GPCW 	C21H27N5O5S	461.1733	NA	PeJP	NA	NA
+MJ067760	Glutamylalanylglutamylasparagine 	C17H27N5O10	461.175792	NA	MeJP	NA	NA
+PJ001900	GQEE 	C17H27N5O10	461.1758	NA	PeJP	NA	NA
+MJ067761	6-Butyl-1-[[3-fluoro-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid; Me ester 	C25H24FN5O3	461.186317	NA	MeJP	NA	NA
+PJ001901	SNNQ 	C16H27N7O9	461.187	NA	PeJP	NA	NA
+PJ001902	GDDR 	C16H27N7O9	461.1871	NA	PeJP	NA	NA
+PJ001903	QEW 	C21H27N5O7	461.1911	NA	PeJP	NA	NA
+PJ001904	SPQM 	C18H31N5O7S	461.1944	NA	PeJP	NA	NA
+MJ067762	Erysotrine, O16-De-Me, O-?-D-glucopyranoside 	C24H31NO8	461.204966	NA	MeJP	NA	NA
+PJ001905	SPCR 	C17H31N7O6S	461.2057	NA	PeJP	NA	NA
+PJ001906	AWW 	C25H27N5O4	461.2063	NA	PeJP	NA	NA
+PJ001907	GKEE 	C18H31N5O9	461.2122	NA	PeJP	NA	NA
+C06853	Bitolterol	C28H31NO5	461.2202	NA	KEGG	NA	NA
+MJ067763	Bitolterol 	C28H31NO5	461.220223	NA	MeJP	NA	NA
+MJ067764	Speciosine, Deoxy 	C28H31NO5	461.220223	NA	MeJP	NA	NA
+MJ067765	Terbutaline, 3,5-Bis(4-methylbenzoyl) 	C28H31NO5	461.220223	NA	MeJP	NA	NA
+PJ001908	GTER 	C17H31N7O8	461.2234	NA	PeJP	NA	NA
+8079	synthetic peptide	RWT	461.227	inhibitor	Inhouse_peptide	NA	peptide
+PJ001909	KEW 	C22H31N5O6	461.2275	NA	PeJP	NA	NA
+MJ067766	Pimozide 	C28H29F2N3O	461.227868	NA	MeJP	NA	NA
+C07566	Pimozide	C28H29F2N3O	461.2279	NA	KEGG	NA	NA
+PJ001910	SPKM 	C19H35N5O6S	461.2308	NA	PeJP	NA	NA
+MJ067767	Antibiotic SF 2776 	C21H31N7O5	461.238667	NA	MeJP	NA	NA
+PJ001911	TRW 	C21H31N7O5	461.2387	NA	PeJP	NA	NA
+MJ067768	Antibiotic Q 1047R-A 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067769	Epilupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067770	Epilupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-Z-cinnamoyl] 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067771	Isolankacidinol 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067772	Lankacidin S 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067773	Lankacidinol 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067774	Lupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+MJ067775	Sessilistemonine 	C25H35NO7	461.241352	NA	MeJP	NA	NA
+PJ001912	GVMR 	C18H35N7O5S	461.2421	NA	PeJP	NA	NA
+PJ001913	SVKE 	C19H35N5O8	461.2486	NA	PeJP	NA	NA
+EUR820	Lyso PE 15:0 [M+Na]+	C20H42NO7P	461.251838	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR820	Lyso PE 15:0 [M+Na]+	C20H42NO7P	461.251838	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR820	Lyso PE 15:0 [M+Na]+	C20H42NO7P	461.251838	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR820	Lyso PE 15:0 [M+Na]+	C20H42NO7P	461.251838	masses lipides attendues	Inhousejuil11	NA	NA
+MJ067776	Aeruginosin 298A; N1-De(argininolyl) 	C24H35N3O6	461.252585	NA	MeJP	NA	NA
+MJ067777	Antibiotic DC 102 	C24H35N3O6	461.252585	NA	MeJP	NA	NA
+PJ001914	MRR 	C17H35N9O4S	461.2533	NA	PeJP	NA	NA
+EUR851	Lyso PE 18:3 [M-H-CH3]-	C23H42NO7P	461.254242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR851	Lyso PE 18:3 [M-H-CH3]-	C23H42NO7P	461.254242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR851	Lyso PE 18:3 [M-H-CH3]-	C23H42NO7P	461.254242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR851	Lyso PE 18:3 [M-H-CH3]-	C23H42NO7P	461.254242	masses lipides attendues	Inhousejuil11	NA	NA
+JH237	Taurocholic acid [M+H-3H2O]+	NA	461.2596	25.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH237	Taurocholic acid [M+H-3H2O]+	NA	461.2596	25.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH237	Taurocholic acid [M+H-3H2O]+	NA	461.2596	25.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH237	Taurocholic acid [M+H-3H2O]+	NA	461.2596	25.3	Inhousejuil11	NA	NA
+PJ001915	SSLR 	C18H35N7O7	461.2598	NA	PeJP	NA	NA
+PJ001916	APKF 	C23H35N5O5	461.2638	NA	PeJP	NA	NA
+PJ001917	ALKM 	C20H39N5O5S	461.2672	NA	PeJP	NA	NA
+MJ067778	Paraherquamide G; 14-Deoxy 	C28H35N3O3	461.267842	NA	MeJP	NA	NA
+MJ067779	Tubulosine, O10-De-Me 	C28H35N3O3	461.267842	NA	MeJP	NA	NA
+MJ067780	Tubulosine, O9-De-Me 	C28H35N3O3	461.267842	NA	MeJP	NA	NA
+MJ067781	Aconosine; 8,14-Di-Ac 	C26H39NO6	461.277737	NA	MeJP	NA	NA
+MJ067782	Franchetine; 14-Debenzoyl, 14-Ac 	C26H39NO6	461.277737	NA	MeJP	NA	NA
+MJ067783	Sisomicin; 6'-N-Me 	C20H39N5O7	461.284948	NA	MeJP	NA	NA
+MJ067784	Verdamicin 	C20H39N5O7	461.284948	NA	MeJP	NA	NA
+PJ001918	TTLK 	C20H39N5O7	461.285	NA	PeJP	NA	NA
+MJ067785	Antibiotic L 697318; Deoxy 	C30H39NO3	461.292994	NA	MeJP	NA	NA
+MJ067786	Echinulin 	C29H39N3O2	461.304227	NA	MeJP	NA	NA
+MJ067787	Methylbenzethonium(1+); Chloride 	C28H44ClNO2	461.306057	NA	MeJP	NA	NA
+MJ067788	Antibiotic PF 1163A; 11-Deoxy 	C27H43NO5	461.314123	NA	MeJP	NA	NA
+MJ067789	Severidine 	C27H43NO5	461.314123	NA	MeJP	NA	NA
+MJ067790	Veramanine 	C27H43NO5	461.314123	NA	MeJP	NA	NA
+MJ067791	Gentamicin C; Gentamicin C2b, 5-Deoxy, 6'-N-Me 	C21H43N5O6	461.321334	NA	MeJP	NA	NA
+HMDB00596	Glucosylsphingosine	C24H47NO7	461.33524	http://www.hmdb.ca/metabolites/HMDB00596	HMDB	NA	NA
+HMDB00648	Galactosylsphingosine	C24H47NO7	461.33524	http://www.hmdb.ca/metabolites/HMDB00648	HMDB	NA	NA
+HMDB00596	Glucosylsphingosine	C24H47NO7	461.33524	HMDB00596	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00648	Galactosylsphingosine	C24H47NO7	461.33524	HMDB00648	PFEM_hmdb_metabocards_official	NA	NA
+MJ067792	Psychosine 	C24H47NO7	461.335252	NA	MeJP	NA	NA
+MetaCyc03631	psychosine [galactosylsphingosine;O-galactosylsphingosine;]	C24H47N1O7	461.335253	2238-90-6	metacyc	NA	NA
+HMDB00596	Glucosylsphingosine	C24H47NO7	461.335266	NA	HMDB2010	NA	NA
+HMDB00648	Galactosylsphingosine	C24H47NO7	461.335266	NA	HMDB2010	NA	NA
+C01747	Psychosine	C24H47NO7	461.3353	NA	KEGG	NA	NA
+C03108	D-Glucosylsphingosine	C24H47NO7	461.3353	NA	KEGG	NA	NA
+MJ067793	Lucidine B; 10,11,14,15,16,17-Hexadehydro 	C30H43N3O	461.340613	NA	MeJP	NA	NA
+MJ067794	Perifosine 	C25H52NO4P	461.363395	NA	MeJP	NA	NA
+3723	NA	WWPKHNG	461.71295	MH2+	Inhouse_peptide	NA	peptide
+8284	antioxidative peptide	HVRETALV	461.7525	MH2+	Inhouse_peptide	NA	peptide
+MJ067795	Thelepin 	C14H9Br3O3	461.810182	NA	MeJP	NA	NA
+C17100	Thelepin	C14H9Br3O3	461.8102	NA	KEGG	NA	NA
+C13621	Tribromobisphenol A	C15H13Br3O2	461.8466	NA	KEGG	NA	NA
+MJ067796	Russuphelin C 	C18H10Cl4O6	461.923148	NA	MeJP	NA	NA
+FL3FAGNSS002	Tricetin 7,3'-disulfate	C15H10O13S2	461.95628	59176-60-2	knapsack	NA	NA
+FL3FECNSS003	6-Hydroxyluteolin 6,7-disulfate	C15H10O13S2	461.95628	111509-42-3	knapsack	NA	NA
+FL5FACNSS004	Quercetin 3,7-di-O-sulfate	C15H10O13S2	461.95628	106533-85-1	knapsack	NA	NA
+FL5FACNSS005	Quercetin 3,3'-di-O-sulfate	C15H10O13S2	461.95628	108909-05-3	knapsack	NA	NA
+FL5FACNSS006	Quercetin 3,4'-di-O-sulfate	C15H10O13S2	461.95628	71368-04-2	knapsack	NA	NA
+MJ067797	3',4',5,5',7-Pentahydroxyflavone; 3',7-Di-O-sulfate 	C15H10O13S2	461.956281	NA	MeJP	NA	NA
+MJ067798	3',4',5,6,7-Pentahydroxyflavone; 6,7-Di-O-sulfate 	C15H10O13S2	461.956281	NA	MeJP	NA	NA
+MJ067799	3,3',4',5,7-Pentahydroxyflavone; 3',4'-Di-O-sulfate 	C15H10O13S2	461.956281	NA	MeJP	NA	NA
+MJ067800	3,3',4',5,7-Pentahydroxyflavone; 3,3'-Di-O-sulfate 	C15H10O13S2	461.956281	NA	MeJP	NA	NA
+MJ067801	3,3',4',5,7-Pentahydroxyflavone; 3,4'-Di-O-sulfate 	C15H10O13S2	461.956281	NA	MeJP	NA	NA
+MJ067802	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-O-sulfate 	C15H10O13S2	461.956281	NA	MeJP	NA	NA
+MetaCyc03632	quercetin-3,4-bissulfate [quercetin-3,4'-bissulfate;]	C15H10O13S2	461.956282	NA	metacyc	NA	NA
+MetaCyc03633	quercetin-3,3-bissulfate [quercetin-3,3'-bissulfate;]	C15H10O13S2	461.956282	NA	metacyc	NA	NA
+C01155	Quercetin 3,3'-bissulfate	C15H10O13S2	461.9563	NA	KEGG	NA	NA
+C01156	Quercetin 3,4'-bissulfate	C15H10O13S2	461.9563	NA	KEGG	NA	NA
+MJ067803	Octadecafluorodecahydronaphthalene 	C10F18	461.971257	NA	MeJP	NA	NA
+MJ067804	3-(3,4-Dihydroxyphenyl)-2,3-dihydro-6-(2-hydroxyethenyl)-1,4-benzodioxin-2-ol; 2,2''-Di-O-sulfate 	C16H14O12S2	461.992667	NA	MeJP	NA	NA
+MJ067805	3-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-(2-hydroxyethenyl)-1,4-benzodioxin-2-ol; 2,2''-Di-O-sulfate 	C16H14O12S2	461.992667	NA	MeJP	NA	NA
+MJ067806	Securamine C; 2,3,4,5-Tetrahydro, 3,4-didehydro 	C20H20BrClN4O2	462.045816	NA	MeJP	NA	NA
+MJ067807	Aranotin 	C20H18N2O7S2	462.055542	NA	MeJP	NA	NA
+MJ067808	3-(3,4-Difluorophenoxy)-5-methyl-4-[4-(methylsulfonyl)phenyl]-5-(2,2,2-trifluoroethyl)-2(5H)-furanone 	C20H15F5O5S	462.056035	NA	MeJP	NA	NA
+MJ067809	2,14-Dibromo-8,11(18)-obtusadiene-3,7-diol 	C20H32Br2O2	462.076905	NA	MeJP	NA	NA
+MJ067810	3,15-Dibromo-9(11)-isopimarene-7,16-diol 	C20H32Br2O2	462.076905	NA	MeJP	NA	NA
+MJ067811	Bromosphaerodiol 	C20H32Br2O2	462.076905	NA	MeJP	NA	NA
+MJ067812	Iriediol 	C20H32Br2O2	462.076905	NA	MeJP	NA	NA
+C06879	Cefamandole	C18H18N6O5S2	462.078	NA	KEGG	NA	NA
+MJ067813	Cefamandole 	C18H18N6O5S2	462.078009	NA	MeJP	NA	NA
+MJ067814	Cefatrizine 	C18H18N6O5S2	462.078009	NA	MeJP	NA	NA
+MJ067815	Rimonabant 	C22H21Cl3N4O	462.078094	NA	MeJP	NA	NA
+C14319	SR 141716	C22H21Cl3N4O	462.0781	NA	KEGG	NA	NA
+C03515	Luteolin 7-O-glucuronide	C21H18O12	462.0798	NA	KEGG	NA	NA
+FL1AACGS0004	Aureusidin 6-glucuronide	C21H18O12	462.07982	65604-87-7	knapsack	NA	NA
+FL3FACGS0004	Luteolin 5-glucuronide	C21H18O12	462.07982	80358-01-6	knapsack	NA	NA
+FL3FACGS0009	Luteolin 7-glucuronide	C21H18O12	462.07982	29741-10-4	knapsack	NA	NA
+FL3FACGS0010	Luteolin 7-galacturonide	C21H18O12	462.07982	56324-53-9	knapsack	NA	NA
+FL3FACGS0015	Luteolin 3'-glucuronide	C21H18O12	462.07982	53527-42-7	knapsack	NA	NA
+FL3FACGS0016	Luteolin 3'-galacturonide	C21H18O12	462.07982	56317-12-5	knapsack	NA	NA
+FL3FE8GS0001	5,6,7,2'-Tetrahydroxyflavone 7-glucuronide	C21H18O12	462.07982	119152-49-7	knapsack	NA	NA
+FL3FEAGS0001	Scutellarein 5-glucuronide	C21H18O12	462.07982	22740-02-9	knapsack	NA	NA
+FL3FEAGS0006	Scutellarein 7-glucuronide	C21H18O12	462.07982	27740-01-8	knapsack	NA	NA
+FL3FF8GS0006	5,7,8,2'-Tetrahydroxyflavone 7-glucuronide;5,8-Dihydroxy-2-(2-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid	C21H18O12	462.07982	133640-36-5	knapsack	NA	NA
+FL3FFAGS0002	Isoscutellarein 8-glucuronide	C21H18O12	462.07982	56317-09-0	knapsack	NA	NA
+FL5FAAGS0006	Kaempferol 3-glucuronide	C21H18O12	462.07982	22688-78-4	knapsack	NA	NA
+FL5FAAGS0016	Kaempferol 7-glucuronide	C21H18O12	462.07982	-	knapsack	NA	NA
+FL5FAAGS0070	Kaempferol 5-glucuronide;3,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid	C21H18O12	462.07982	367522-86-9	knapsack	NA	NA
+FLIEACGS0001	Demethylwedelolactone 3-O-glucoside	C21H18O12	462.07982	30414-09-6	knapsack	NA	NA
+MJ067816	1,3,8,9-Tetrahydroxycoumestan; 3-O-?-D-Glucopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067817	2',5,6,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067818	2',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Glucuronoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067819	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Galacturonoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067820	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067821	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067822	3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067823	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Galacturonoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067824	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067825	3',4,4',6-Tetrahydroxyaurone; 6-O-Glucuronoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067826	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067827	4',5,6,7-Tetrahydroxyflavone; 5-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067828	4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067829	4',5,6,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067830	4',5,7,8-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067831	4',5,7,8-Tetrahydroxyflavone; 8-O-?-D-Glucuronopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067832	Ellagic acid; 2,7-Di-Me ether, 3-O-?-L-arabinofuranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067833	Ellagic acid; 3,8-Di-Me ether, 2-O-?-D-xylopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067834	Ellagic acid; 3-Me ether, 7-O-?-D-rhamnopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MJ067835	Ellagic acid; 3-Me ether, 8-O-?-L-rhamnopyranoside 	C21H18O12	462.079826	NA	MeJP	NA	NA
+MetaCyc03634	luteolin 7-O-&beta;-D-glucuronide [luteolin 7-O-glucuronide;]	C21H18O12	462.079826	NA	metacyc	NA	NA
+MJ067836	Inoscavin A 	C25H18O9	462.095082	NA	MeJP	NA	NA
+MJ067837	Sapurimycin 	C25H18O9	462.095082	NA	MeJP	NA	NA
+MetaCyc03635	farnesyl triphosphate []	C15H29O10P3	462.097357	NA	metacyc	NA	NA
+C03115	Farnesyl triphosphate	C15H29O10P3	462.0974	NA	KEGG	NA	NA
+MJ067838	5,7-Dihydroxyflavone; Dibenzoyl 	C29H18O6	462.110338	NA	MeJP	NA	NA
+C05990	Isoscoparine	C22H22O11	462.1162	NA	KEGG	NA	NA
+C10104	6-Methoxyluteolin 7-rhamnoside	C22H22O11	462.1162	NA	KEGG	NA	NA
+C10187	Swertiajaponin	C22H22O11	462.1162	NA	KEGG	NA	NA
+C10533	Tectoridin	C22H22O11	462.1162	NA	KEGG	NA	NA
+FL1A3CGS0007	Leptosin	C22H22O11	462.11621	486-23-7	knapsack	NA	NA
+FL3FA8GS0007	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	223599-62-0	knapsack	NA	NA
+FL3FADCS0001	Isoscoparin	C22H22O11	462.11621	20013-23-4	knapsack	NA	NA
+FL3FADCS0002	(-)-Isoscoparin	C22H22O11	462.11621	89759-25-1	knapsack	NA	NA
+FL3FADCS0017	Scoparin;8-C-beta-D-Glucopyranosylchrysoeriol;Chrysoeriol 8-C-glucoside;Scoparoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O11	462.11621	301-16-6	knapsack	NA	NA
+FL3FADCS0019	Episcoparin	C22H22O11	462.11621	53156-94-8	knapsack	NA	NA
+FL3FADGS0001	Luteolin 3'-methyl ether 5-glucoside	C22H22O11	462.11621	74336-86-0	knapsack	NA	NA
+FL3FADGS0004	Luteolin 3'-methyl ether 7-glucoside	C22H22O11	462.11621	19993-32-9	knapsack	NA	NA
+FL3FADGS0006	Luteolin 3'-methyl ether 4'-glucoside	C22H22O11	462.11621	36451-44-2	knapsack	NA	NA
+FL3FAECS0001	8-C-beta-D-Glucopyranosyldiosmetin;8-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O11	462.11621	15822-81-8	knapsack	NA	NA
+FL3FAECS0002	6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O11	462.11621	15822-82-9	knapsack	NA	NA
+FL3FAEGS0001	Luteolin 4'-methyl ether 7-glucoside	C22H22O11	462.11621	20126-59-4	knapsack	NA	NA
+FL3FAEGS0010	Diosmetin 3'-glucoside	C22H22O11	462.11621	141360-86-3	knapsack	NA	NA
+FL3FAIGS0001	Tricin 7-xyloside	C22H22O11	462.11621	-	knapsack	NA	NA
+FL3FAIGS0011	Setaricin;7-(alpha-L-Arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C22H22O11	462.11621	126394-59-0	knapsack	NA	NA
+FL3FAIGS0012	Tricin 4'-apioside;2-[4-[(D-Apio-beta-D-furanosyl)oxy]-3,5-dimethoxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	368424-64-0	knapsack	NA	NA
+FL3FBCCS0001	Parkinsonin A;8-D-Glucopyranosyl-7,3',4'-trihydroxy-5-methoxyflavone;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-7-hydroxy-5-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	6980-21-8	knapsack	NA	NA
+FL3FBCGS0001	Luteolin 5-methyl ether 7-glucoside	C22H22O11	462.11621	58115-30-3	knapsack	NA	NA
+FL3FBCGS0003	Luteorin 5-methyl ether 3'-glucoside	C22H22O11	462.11621	-	knapsack	NA	NA
+FL3FCCCS0001	Swertiajaponin;Leucanthoside;6-beta-D-glucopyranosyl-3',4',5-trihydroxy-7-methoxyflavone	C22H22O11	462.11621	6980-25-2	knapsack	NA	NA
+FL3FCCCS0002	Isoswertiajaponin;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	6980-41-2	knapsack	NA	NA
+FL3FCCGS0001	Luteolin 7-methyl ether 5-glucoside	C22H22O11	462.11621	83133-14-6	knapsack	NA	NA
+FL3FE8GS0002	5,7,2'-Trihydroxy-6-methoxyflavone 7-O-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	226879-03-4	knapsack	NA	NA
+FL3FEAGS0015	Hispidulin 7-glucoside	C22H22O11	462.11621	17680-84-1	knapsack	NA	NA
+FL3FEAGS0040	Scutellarein 7-methyl ether 6-galactoside	C22H22O11	462.11621	107194-92-3	knapsack	NA	NA
+FL3FEAGS0041	Scutellarein 7-methyl ether 6-glucoside	C22H22O11	462.11621	89647-63-2	knapsack	NA	NA
+FL3FEAGS0043	Scutellarein 4'-methyl ether 7-glucoside;Stachannin	C22H22O11	462.11621	35536-70-0	knapsack	NA	NA
+FL3FEAGS0048	Hispidulin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	244285-12-9	knapsack	NA	NA
+FL3FECGS0001	6-Methoxyluteolin 7-rhamnoside	C22H22O11	462.11621	35682-55-4	knapsack	NA	NA
+FL3FFAGS0016	Isoscutellarein 4'-methyl ether 8-glucoside;Takakin 8-O-beta-D-glucoside;8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O11	462.11621	197019-92-4	knapsack	NA	NA
+FL5F1CGS0004	Geraldol 4'-glucoside	C22H22O11	462.11621	24502-05-4	knapsack	NA	NA
+FL5FAAGM0001	6-C-Methylkaempferol 3-glucoside	C22H22O11	462.11621	68116-36-9	knapsack	NA	NA
+FL5FAAGM0002	8-C-Methylkaempferol 7-glucoside	C22H22O11	462.11621	137052-33-6	knapsack	NA	NA
+FL5FABGA0001	Kaempferide 3-galactoside	C22H22O11	462.11621	78386-03-5	knapsack	NA	NA
+FL5FABGL0001	Kaempferide 3-glucoside	C22H22O11	462.11621	70324-47-9	knapsack	NA	NA
+FL5FABGS0004	Mumenin	C22H22O11	462.11621	16290-08-7	knapsack	NA	NA
+FL5FADGS0004	Isorhamnetin 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O11	462.11621	67068-82-0	knapsack	NA	NA
+FL5FADGS0009	Isorhamnetin 7-rhamnoside	C22H22O11	462.11621	17331-72-5	knapsack	NA	NA
+FL5FAEGS0001	Tamarixetin 3-rhamnoside	C22H22O11	462.11621	87562-18-3	knapsack	NA	NA
+FL5FBAGA0001	Kaempferol 5-methyl ether 3-galactoside	C22H22O11	462.11621	28454-84-4	knapsack	NA	NA
+FL5FBCGS0001	Azaleatin 3-rhamnoside	C22H22O11	462.11621	29028-02-2	knapsack	NA	NA
+FL5FCACS0001	Keyakinin;6-beta-D-Glucopyranosyl-3,4',5-trihydroxy-7-methoxyflavone;6-beta-D-Glucopyranosyl-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	10515-26-1	knapsack	NA	NA
+FL5FCAGA0001	Rhamnocitrin 3-galactoside	C22H22O11	462.11621	99878-05-4	knapsack	NA	NA
+FL5FCAGL0001	Rhamnocitrin 3-glucoside	C22H22O11	462.11621	41545-37-3	knapsack	NA	NA
+FL5FCAGS0001	Rhamnocitrin 3-alloside	C22H22O11	462.11621	69292-78-0	knapsack	NA	NA
+FL5FCAGS0004	Rhamnocitrin 5-glucoside	C22H22O11	462.11621	93091-77-1	knapsack	NA	NA
+FL5FCAGS0007	Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	178402-89-6	knapsack	NA	NA
+FL5FCCGS0003	Rhamnetin 3-rhamnoside	C22H22O11	462.11621	20188-83-4	knapsack	NA	NA
+FL5FCEGS0001	Ombuin 3-arabinofuranoside;Quercetin 7,4'-dimethyl ether 3-arabinofuranoside;3-(D-Arabinofuranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	178690-16-9	knapsack	NA	NA
+FL5FDAGS0001	Isokaempferide 7-glucoside	C22H22O11	462.11621	13454-27-8	knapsack	NA	NA
+FL5FDCGS0004	Quercetin 3-methyl ether 7-rhamnoside;3-O-Methylquercetin 7-O-rhamnopyranoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one	C22H22O11	462.11621	93373-14-9	knapsack	NA	NA
+FL5FEAGS0005	Vogelin	C22H22O11	462.11621	35286-53-4	knapsack	NA	NA
+FL5FEAGS0006	6-Methoxykaempferol 3-rhamnoside	C22H22O11	462.11621	104055-83-6	knapsack	NA	NA
+FL5FEAGS0009	6-Methoxykaempferol 4'-rhamnoside	C22H22O11	462.11621	124962-14-7	knapsack	NA	NA
+FLIAADCS0001	Dalpanitin	C22H22O11	462.11621	40522-83-6	knapsack	NA	NA
+FLIAADGS0001	3'-O-Methylorobol 7-O-glucoside	C22H22O11	462.11621	36190-96-2	knapsack	NA	NA
+FLIAAEGS0001	Pratensein 7-O-glucoside	C22H22O11	462.11621	36191-03-4	knapsack	NA	NA
+FLIAEAGS0001	Tectoridin;Shekanin;Shekkanin;Tectorigenin 7-O-glucoside	C22H22O11	462.11621	611-40-5	knapsack	NA	NA
+FLIAFAGS0001	Isotectorigenin 7-O-glucoside	C22H22O11	462.11621	13431-07-7	knapsack	NA	NA
+FLNACCGS0001	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside	C22H22O11	462.11621	116310-58-8	knapsack	NA	NA
+FLNACCGS0002	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside	C22H22O11	462.11621	112078-67-8	knapsack	NA	NA
+MJ067839	1,3,5,8-Tetrahydroxy-2-methylanthraquinone; 8-Me ether, 3-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067840	2',4',5,7-Tetrahydroxyflavone; 7-Me ether, 4'-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067841	2',5,6',7-Tetrahydroxyflavone; 7-Me ether, 2'-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067842	2',5,6,7-Tetrahydroxyflavone; 6-Me ether, 7-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067843	2-Cinnamoyl-1-galloylglucose; ?-D-Pyranose-form 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067844	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067845	3',4',5,7-Tetrahydroxy-8-methylisoflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067846	3',4',5,7-Tetrahydroxyisoflavone; 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067847	3',4',5,7-Tetrahydroxyisoflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067848	3',4',5-Trihydroxy-7-methoxyflavone; 3'-O-?-D-Galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067849	3',4',5-Trihydroxy-7-methoxyflavone; 3'-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067850	3',4',5-Trihydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067851	3',4',6,7-Tetrahydroxyaurone; 7-Me ether, 6-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067852	3',4',7,8-Tetrahydroxyisoflavone; 3-Me ether, 8-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067853	3',4',7-Trihydroxy-5-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067854	3',5,7-Trihydroxy-4'-methoxyflavone; 3'-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067855	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067856	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067857	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067858	3,3',4',7-Tetrahydroxyflavone; 3'-Me ether, 4'-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067859	3,3',4',7-Tetrahydroxyflavone; 7-Me ether, 3-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067860	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067861	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067862	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnofuranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067863	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067864	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067865	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067866	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 4'-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067867	3,4',5,7-Tetrahydroxy-6-methylflavone; 3-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067868	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067869	3,4',5,7-Tetrahydroxy-8-methylflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067870	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Allopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067871	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067872	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067873	3,4',5-Trihydroxy-7-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067874	3,4',5-Trihydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067875	3,4',6,7-Tetrahydroxy-5-methoxyflavone; 4'-O-?-L-Rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067876	3,4',7-Trihydroxy-5-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067877	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067878	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067879	3,5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067880	4',5,6,7,8-Pentahydroxyisoflavone; 8-Me ether, 6-O-?-L-rhamnopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067881	4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-?-D-galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067882	4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067883	4',5,7,8-Tetrahydroxyisoflavone; 8-Me ether, 7-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067884	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-?-L-Arabinopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067885	4',5,7-Trihydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067886	4',5,7-Trihydroxy-3'-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067887	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067888	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067889	4',5,7-Trihydroxy-3-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067890	4',5,7-Trihydroxy-6-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067891	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067892	4',5,7-Trihydroxy-6-methoxyisoflavone; 4'-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067893	4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067894	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-?-D-galactopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067895	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-?-D-glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067896	5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067897	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucopyranoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067898	6-C-Glucopyranosyl-4',5,7,8-tetrahydroxyflavone; 8-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067899	6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavone; 7-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067900	6-O-Cinnamoylglucose; ?-D-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067901	8-?-D-Galactopyranosyl-4',5,6,7-tetrahydroxyflavone; 6-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067902	8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 3'-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067903	8-Glucopyranosyl-4',5,6,7-tetrahydroxyflavone; 6-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067904	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067905	Fukiic acid, 2-O-(3-Hydroxy-4-methoxy-E-cinnamoyl), 1-Me ester 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067906	Fukiic acid, 2-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1-Me ester 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067907	Granatomycin D; 10-Hydroxy 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067908	Isoorientin; 4'-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067909	Isoscoparin 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067910	Isoshekkangenin; O-Glucoside 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067911	Orientin; 4'-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067912	Orientin; 5-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067913	Orientin; 7-Me ether 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067914	Swertiajaponin 	C22H22O11	462.116211	NA	MeJP	NA	NA
+MJ067915	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 5-Me ether, 3-O-?-L-rhamnoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067916	3,3',4',5-Tetrahydroxy-7-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067917	3,3',4',7-Tetrahydroxy-5-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067918	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-Arabinoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067919	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067920	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-D-Galactopyranoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067921	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 5-O-?-D-Glucopyranoside 	C22H23O11(+)	462.116211	NA	MeJP	NA	NA
+MJ067922	Artoindonesianin C 	C26H22O8	462.131467	NA	MeJP	NA	NA
+MJ067923	Artomunoxanthentrione; 9a,13a-Epoxide 	C26H22O8	462.131467	NA	MeJP	NA	NA
+MJ067924	Isodiospyrin, 6',7-Diethoxy 	C26H22O8	462.131467	NA	MeJP	NA	NA
+MJ067925	Isodiospyrin, 6,6'-Diethoxy 	C26H22O8	462.131467	NA	MeJP	NA	NA
+MJ067926	Isodiospyrin, 6,7'-Diethoxy 	C26H22O8	462.131467	NA	MeJP	NA	NA
+MJ067927	Isodiospyrin, 7,7'-Diethoxy 	C26H22O8	462.131467	NA	MeJP	NA	NA
+PJ001919	TCCH 	C16H26N6O6S2	462.1355	NA	PeJP	NA	NA
+MJ067928	D-glycero-L-manno-Heptose; 2,3,4,5,6,7-Hexa-Ac 	C19H26O13	462.13734	NA	MeJP	NA	NA
+MJ067929	Sucrose; 6-(4-Hydroxybenzoyl) 	C19H26O13	462.13734	NA	MeJP	NA	NA
+MJ067930	Chloro[3-[[[[1-[(2-ethyl-2-mercaptobutyl)amino]cyclohexyl]methyl]amino]methyl]-3-pentanethiolato(2-)-N,N',S,S']gallium 	C19H38ClGaN2S2	462.142074	NA	MeJP	NA	NA
+PJ001920	PCDE 	C17H26N4O9S	462.1421	NA	PeJP	NA	NA
+MJ067931	Cryptomisrine 	C31H18N4O	462.148061	NA	MeJP	NA	NA
+FL1CDAGS0001	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside	C23H26O10	462.15259	68984-71-4	knapsack	NA	NA
+FL2FAAGM0002	Cyrtopterin	C23H26O10	462.15259	-	knapsack	NA	NA
+FL2FF9GS0003	Andrographidin A	C23H26O10	462.15259	11363-37-4	knapsack	NA	NA
+FL3FGLNS0008	Agehoustin A	C23H26O10	462.15259	87402-97-8	knapsack	NA	NA
+FL4DCBGS0001	Aurapin	C23H26O10	462.15259	76733-22-7	knapsack	NA	NA
+FL5FGGNS0014	Exoticin	C23H26O10	462.15259	13364-94-8	knapsack	NA	NA
+FL5FGLNS0013	Purpurascenin	C23H26O10	462.15259	79105-52-5	knapsack	NA	NA
+FLID1CGS0005	Methylnissolin 3-O-glucoside	C23H26O10	462.15259	94367-42-7	knapsack	NA	NA
+MJ067932	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13,14-di-Ac 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067933	1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 3''-Deoxy, 2-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067934	2',3',4',5,5',6,7,8-Octahydroxyflavone; Octa-Me ether 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067935	2',3,4',5,5',6,7,8-Octahydroxyflavone; Octa-Me ether 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067936	2',4,4',6'-Tetrahydroxychalcone; 2',4'-Di-Me ether, 4-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067937	2',4,4',6'-Tetrahydroxychalcone; 4',6'-Di-Me ether, 4-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067938	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067939	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 13,14-di-Ac 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067940	2,5-Epoxy-2,8,9-trihydroxy-1(10),3,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067941	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067942	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067943	2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067944	2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxycinnamoyl-(?4)-?-D-glucopyranoside] 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067945	3,13:11,12-Diepoxy-2,3-dihydroxy-6-oxo-4,7,15(17)-cembratrien-20,10-olid-16-oic acid; 2-Ac, Me ester 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067946	3,3',4',5,5',6,7,8-Octahydroxyflavone; Octa-Me ether 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067947	3,4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 3-O-?-L-rhamnopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067948	3,9,10-Trihydroxypterocarpan, 9,10-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067949	4',5,7-Trihydroxy-6,8-dimethylflavanone, 7-O-?-D-Glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067950	4',5,7-Trihydroxy-6,8-dimethylflavanone, O-Glucoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067951	4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067952	4,5-Epoxy-8,9-dihydroxy-1(10),2,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067953	4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-[6-O-(4-Hydroxycinnamoyl)-?-D-glucopyranoside](E-) 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067954	5,7,8-Trihydroxyflavanone, 7,8-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067955	Lactiflorin 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067956	Phyllodulcin, 3'-Me ether, 8-O-?-D-glucopyranoside 	C23H26O10	462.152597	NA	MeJP	NA	NA
+MJ067957	Sergeolide; 15-O-De-Ac 	C23H26O10	462.152597	NA	MeJP	NA	NA
+PJ001921	GEEE 	C17H26N4O11	462.1598	NA	PeJP	NA	NA
+FLIAALNP0018	Euchrenone b3;5-Hydroxy-2'-methoxy-4',5'-methylenedioxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone	C27H26O7	462.16785	119061-11-9	knapsack	NA	NA
+MJ067958	Bletilol B 	C27H26O7	462.167853	NA	MeJP	NA	NA
+MJ067959	Bletilol C 	C27H26O7	462.167853	NA	MeJP	NA	NA
+MJ067960	Euchrenone b3 	C27H26O7	462.167853	NA	MeJP	NA	NA
+PJ001922	GCHF 	C20H26N6O5S	462.1686	NA	PeJP	NA	NA
+PJ001923	SNNE 	C16H26N6O10	462.1711	NA	PeJP	NA	NA
+MJ067961	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C20H30O12	462.173726	NA	MeJP	NA	NA
+MJ067962	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O12	462.173726	NA	MeJP	NA	NA
+MJ067963	Suspensoside A; 7?-Acetoxy, 10-Ac 	C20H30O12	462.173726	NA	MeJP	NA	NA
+PJ001924	EEW 	C21H26N4O8	462.1751	NA	PeJP	NA	NA
+PJ001925	SPEM 	C18H30N4O8S	462.1785	NA	PeJP	NA	NA
+MJ067964	Limocrocin 	C26H26N2O6	462.179086	NA	MeJP	NA	NA
+MJ067965	Mecrifurone 	C26H26N2O6	462.179086	NA	MeJP	NA	NA
+MJ067966	Plicamine 	C26H26N2O6	462.179086	NA	MeJP	NA	NA
+C12254	(+)-Plicamine	C26H26N2O6	462.1791	NA	KEGG	NA	NA
+MJ067967	5,6-Dihydroxy-7-protoilluden-14-al, 6-Me ether, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C25H31ClO6	462.180916	NA	MeJP	NA	NA
+MJ067968	Ilicicolin F 	C25H31ClO6	462.180916	NA	MeJP	NA	NA
+MJ067969	Biscryptolepine 	C32H22N4	462.184446	NA	MeJP	NA	NA
+PJ001926	GSNW 	C20H26N6O7	462.1863	NA	PeJP	NA	NA
+MJ067970	1,3,5,11,14-Pentahydroxy-12,19-dioxobufa-20,22-dienolide 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067971	1,5,6,9,13-Pentahydroxy-7-protilluden-14-al, 5-O-(2-Hydroxy-4-methoxy-6-methylbenzoyl) 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067972	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-Angeloyl, 2,9-di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067973	3,10-Epoxy-1,3,13-trihydroxy-4,7(11)-germacradien-12,6-olide, 1-Tigloyl, 3,13-di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067974	3,8,14-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-methyl-2E-butenoyl), 3-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067975	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-hydroxymethyl-2E-butenoyl), 3-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067976	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-Acetoxymethyl-4-hydroxy-2E-butenoyl], 3-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067977	4,18:10,12:15,16-Triepoxy-6,12,19-trihydroxy-3(16),14-clerodadien-3-one, 6,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067978	4,18:12,20:15,16-Triepoxy-6,19,20-trihydroxy-13(16),14-clerodadien-7-one, 19,20-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067979	4,18:12,20:15,16-Triepoxy-7,19,20-trihydroxy-13(16),14-clerodadien-6-one, 19,20-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067980	4,18:15,16-Diepoxy-2,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067981	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 3,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067982	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067983	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 3,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067984	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067985	4,18:15,16-Diepoxy-6,7,19-trihydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067986	4,18:7,20:15,16-Triepoxy-12,19,20-trihydroxy-13(16),14-clerodadien-6-one, 12,19-Di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067987	8,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-3-hydroxy-2-methylenebutanoyl), 15-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067988	8,17-Epoxy-2,3,9,12-tetrahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2,3-di-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067989	Alysine A 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067990	Juniperin 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067991	Loxothyrin A 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067992	Macrocalyxin A 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067993	Retrocalamin 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067994	Teulanigin; 20-Epimer, 3-De-Ac 	C24H30O9	462.188982	NA	MeJP	NA	NA
+MJ067995	Teupyrin A 	C24H30O9	462.188982	NA	MeJP	NA	NA
+PJ001927	GQQM 	C17H30N6O7S	462.1897	NA	PeJP	NA	NA
+MJ067996	Penlysinum 	C22H30N4O5S	462.19369	NA	MeJP	NA	NA
+PJ001928	PPCF 	C22H30N4O5S	462.1937	NA	PeJP	NA	NA
+PJ001929	SVEE 	C18H30N4O10	462.1962	NA	PeJP	NA	NA
+PJ001930	PCLM 	C19H34N4O5S2	462.1971	NA	PeJP	NA	NA
+MJ067997	Amicoumacin C; N-Propanoyl 	C23H30N2O8	462.200215	NA	MeJP	NA	NA
+PJ001931	GCQR 	C16H30N8O6S	462.2009	NA	PeJP	NA	NA
+MJ067998	1,2-Dihydro-5,12-dihydroxy-1,1,2,10,10-pentamethyl-4-(3-methyl-2-butenyl)-6H,10H-furo[3,2-h]pyrano[3,2-b]xanthen-6-one 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ067999	10-(1,1-Dimethyl-2-propenyl)-7,9,12-trihydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-b]xanthen-6-one 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068000	Caloxanthone J 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068001	Latisxanthone C 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068002	Maculatoxanthone 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068003	Pentadesmaxanthone 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068004	Rocaglatic acid; Decarboxy, 8b-Et ether 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068005	Scandenin; Di-Me ether 	C28H30O6	462.204238	NA	MeJP	NA	NA
+MJ068006	Tovophyllin A 	C28H30O6	462.204238	NA	MeJP	NA	NA
+PJ001932	SNDK 	C17H30N6O9	462.2074	NA	PeJP	NA	NA
+PJ001933	GGSDK 	C17H30N6O9	462.2075	NA	PeJP	NA	NA
+C11640	Patrinoside	C21H34O11	462.2101	NA	KEGG	NA	NA
+C17068	Valerosidatum	C21H34O11	462.2101	NA	KEGG	NA	NA
+MJ068007	Lonitoside 	C21H34O11	462.210111	NA	MeJP	NA	NA
+MJ068008	Patrinoside 	C21H34O11	462.210111	NA	MeJP	NA	NA
+MJ068009	Urceolide 	C21H34O11	462.210111	NA	MeJP	NA	NA
+MJ068010	Valerosidatum 	C21H34O11	462.210111	NA	MeJP	NA	NA
+PJ001934	SPPY 	C22H30N4O7	462.2115	NA	PeJP	NA	NA
+PJ001935	ALEM 	C19H34N4O7S	462.2148	NA	PeJP	NA	NA
+PJ001936	SSNR 	C16H30N8O8	462.2187	NA	PeJP	NA	NA
+MJ068011	Sceptrin; Bis(debromo) 	C22H26N10O2	462.22402	NA	MeJP	NA	NA
+MJ068012	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylbutanoyl), 3-(2-methylbutanoyl) 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068013	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-(3-Carboxypropanoyl) 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068014	17,18-Epoxy-11,18-dihydroxy-1(19),6,10(17),13-xenicatetraen-15-oic acid; 6?,7?-Epoxide, di-Ac, Me ester 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068015	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2,4-Diangeloyl 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068016	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 16-Ac 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068017	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-Ac 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068018	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-(3-methylbutanoyl) 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068019	4,15-Epoxy-1,8-dihydroxy-11(13)-eudesmen-12,6-olide, 1-(2-Hydroxymethyl-2Z-butenoyl), 8-(2-methylbutanoyl) 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068020	6,7,14-Trihydroxy-18-vouacapanoic acid, 6,7-Di-Ac, Me ester 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068021	8-Daucene-2,4,6-triol, 8?,9?-Epoxide, 6-(4-hydroxy-3-methoxybenzoyl), 2-Ac 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068022	Anodendrosin H 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068023	Anodendrosin I 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068024	Atranone F; 13-Methoxy 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068025	Branacenal; 20-Carboxylic acid, Me ester 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068026	Centrolobol, 3-O-?-D-Glucopyranoside 	C25H34O8	462.225368	NA	MeJP	NA	NA
+MJ068027	Centrolobol, 4''-O-?-D-Glucopyranoside 	C25H34O8	462.225368	NA	MeJP	NA	NA
+HMDB10337	6-Dehydrotestosterone glucuronide	C25H34O8	462.225372	NA	HMDB2010	NA	NA
+C12888	Hydrocortisone succinate	C25H34O8	462.2254	NA	KEGG	NA	NA
+PJ001937	GQKM 	C18H34N6O6S	462.2261	NA	PeJP	NA	NA
+PJ001938	TTLE 	C19H34N4O9	462.2326	NA	PeJP	NA	NA
+PJ001939	GLHH 	C20H30N8O5	462.2339	NA	PeJP	NA	NA
+PJ001940	GCKR 	C17H34N8O5S	462.2373	NA	PeJP	NA	NA
+MJ068028	Mulberrofuran X 	C29H34O5	462.240624	NA	MeJP	NA	NA
+MJ068029	Salacia quinonemethide 	C29H34O5	462.240624	NA	MeJP	NA	NA
+MJ068030	Amelometasone 	C26H35FO6	462.241767	NA	MeJP	NA	NA
+MJ068031	Fluprednisolone; 17-Pentanoyl 	C26H35FO6	462.241767	NA	MeJP	NA	NA
+MJ068032	Triamcinolone; 16,17-(Pentan-3-one) ketal 	C26H35FO6	462.241767	NA	MeJP	NA	NA
+PJ001941	STQK 	C18H34N6O8	462.2438	NA	PeJP	NA	NA
+MJ068033	3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol, O-Rutinoside 	C22H38O10	462.246497	NA	MeJP	NA	NA
+MJ068034	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-glucopyranoside] 	C22H38O10	462.246497	NA	MeJP	NA	NA
+MJ068035	3,7-Dimethyl-1,6-octadien-3-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H38O10	462.246497	NA	MeJP	NA	NA
+MJ068036	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-glucopyranoside] 	C22H38O10	462.246497	NA	MeJP	NA	NA
+MJ068037	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Fucopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H38O10	462.246497	NA	MeJP	NA	NA
+MJ068038	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C22H38O10	462.246497	NA	MeJP	NA	NA
+MJ068039	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H38O10	462.246497	NA	MeJP	NA	NA
+PJ001942	APLY 	C23H34N4O6	462.2479	NA	PeJP	NA	NA
+MJ068040	Frabuprofen 	C26H33F3N2O2	462.249412	NA	MeJP	NA	NA
+PJ001943	SLLM 	C20H38N4O6S	462.2512	NA	PeJP	NA	NA
+MJ068041	4-Fluoro-?-[[1-[3-[5-(4H-1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-4-piperidinyl]amino]benzeneethanol 	C26H31FN6O	462.254337	NA	MeJP	NA	NA
+PJ001944	PPLH 	C22H34N6O5	462.2591	NA	PeJP	NA	NA
+HMDB10340	Retinyl beta-glucuronide	C26H38O7	462.261749	NA	HMDB2010	NA	NA
+MJ068042	1(5),6,10(20)-Grayanotoxatriene-3,16-diol, 3-O-?-D-Glucopyranoside 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068043	13(15),16-Spatadiene-5,14,18,19-tetrol, 5,14,19-Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068044	15,16-Epoxy-3,12-clerodadiene-14,15,16-triol, Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068045	15,16-Epoxy-4(18),12-clerodadiene-14,15,16-triol, Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068046	15,17-Epoxy-6,17-dihydroxy-16-spongianone, 6-Butanoyl, 17-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068047	18,19-Epoxy-13(16),14-clerodadiene-2,18,19-triol; Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068048	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 3,4-dihydro, 2,18,19-tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068049	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 6-Ketone, 11-butanoyl, 4-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068050	3,10(18),14-Prenylguaiatriene-6,9,12,13-tetrol, 6,12,13-Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068051	3,5,12,15-Tetrahydroxy-6(17),12-lathyradien-14-one, 3-Butanoyl, 5-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068052	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Tigloyl 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068053	4(20),11-Taxadiene-5,9,10,13-tetrol, 9,10,13-Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068054	6,13-Epoxy-3,8-eunicelladiene-2,12,15-triol, Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068055	7,15-Isopimaradiene-2,3,19-triol, 19-O-?-D-threo-Hex-4-enodialdo-1,5-pyranoside 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068056	8(14)-Pimarene-2,3,15,16-tetrol, 2-Ketone, 3,15,16-tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068057	8,15-Isopimaradiene-1,7,14,18-tetrol, 7,14,18-Tri-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068058	Antibiotic CJ 13015; 10'-Alcohol, 10'-Ac 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MJ068059	Vibsanin H; 15-Hydroperoxide, 18-Me ether 	C26H38O7	462.261753	NA	MeJP	NA	NA
+MetaCyc03636	10-desacetyltaxuyunnanin C []	C26H38O7	462.261754	NA	metacyc	NA	NA
+C15538	10-Desacetyltaxuyunnanin C	C26H38O7	462.2618	NA	KEGG	NA	NA
+C15539	Anthocyanidin 3-O-beta-D-glucoside	C21H20O10R	462.2618	NA	KEGG	NA	NA
+C15540	Anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside)	C24H22O13R	462.2618	NA	KEGG	NA	NA
+C15541	NDP-glucose	C11H21O15P2R	462.2618	NA	KEGG	NA	NA
+PJ001945	GKKM 	C19H38N6O5S	462.2625	NA	PeJP	NA	NA
+MJ068060	N-Acetylvalyl-N-[2-(1H-indol-3-yl)ethenyl]-N?-methylphenylalaninamide; 1',2'-Dihydro 	C27H34N4O3	462.26309	NA	MeJP	NA	NA
+MJ068061	N-[3-[[2-(3,5-Dimethoxyphenyl)ethyl]methylamino]propyl]-4-[4-(1H-imidazol-1-yl)phenyl]-3-butenamide 	C27H34N4O3	462.26309	NA	MeJP	NA	NA
+FL1DQUNI0003	Helilupolone	C30H38O4	462.277	72247-85-9	knapsack	NA	NA
+FL6F1CNI0002	Kazinol E	C30H38O4	462.277	104494-34-0	knapsack	NA	NA
+FL6F1CNI0003	Kazinol Q;(+)-4-[6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-2-yl]-3,6-bis(3-methyl-2-butenyl)-1,2-benzenediol	C30H38O4	462.277	219908-10-8	knapsack	NA	NA
+MJ068062	3,12-Dioxo-13,15,17(20),22,24-isomalabaricapentaen-26,22-olide 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068063	8,8'-Bi-7(11),9-eremophiladien-12,8-olide 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068064	Biatractylolide 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068065	Biepiasterolide 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068066	Cochloxanthin 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068067	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-[3-(4-Propoxyphenyl)propanoyl] 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068068	Helilupulone 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068069	Kazinol D; 3,4-Didehydro 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068070	Kazinol E 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068071	Kazinol Q 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068072	Lancilactone A; 6-Deoxy, 6,7-didehydro 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068073	Netzahualcoyondiol; 21,22-Bisdeoxy 	C30H38O4	462.277009	NA	MeJP	NA	NA
+MJ068074	Petrosynol; 15,16-Dihydro, 14,17-diketone 	C30H38O4	462.277009	NA	MeJP	NA	NA
+PJ001946	STKK 	C19H38N6O7	462.2802	NA	PeJP	NA	NA
+PJ001947	ALLF 	C24H38N4O5	462.2842	NA	PeJP	NA	NA
+C02513	3-Dehydroecdysone	C27H42O6	462.2981	NA	KEGG	NA	NA
+C08832	Podecdysone B	C27H42O6	462.2981	NA	KEGG	NA	NA
+MJ068075	1,3-Dihydroxy-25,26,27-trinorcycloartane-24,28-dioic acid 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068076	11-Eremophilene-3,8,9-triol, 3-(4-Hex-2Z-enoyloxy-2Z-hexenoyl) 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068077	2,3,14,20,22-Pentahydroxycholesta-4,7-dien-6-one 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068078	2,3,14,20,22-Pentahydroxycholesta-7,24-dien-6-one 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068079	2,3,16,17-Phyllocladanetetrol, 2-(3-Methyl-2-butenoyl), 3-Ac 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068080	2,3,20,22,25-Pentahydroxy-14-methyl-18-norcholesta-7,12-dien-6-one 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068081	2,3,20,22,25-Pentahydroxycholesta-7,14-dien-6-one 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068082	2,3,20,22,25-Pentahydroxycholesta-8,14-dien-6-one 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068083	2,3,5,14,20,22-Hexahydroxycholesta-7,9(11)-dien-6-one, 5-Deoxy 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068084	2,3,6-Trihydroxyspirostan-12-one 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068085	7,14-Labdadiene-2,3,13,20-tetrol, 2-Angeloyl, 20-Ac 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068086	7-Abietene-14,18-diol, 18-(Ethyl malonoyl), 14-Ac 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068087	8(14)-Abietene-7,18-diol, 18-(Ethyl malonoyl), 7-Ac 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068088	8(17),14-Labdadiene-2,7,13,20-tetrol, 2-Angeloyl, 20-Ac 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068089	Lucidenic acid M 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068090	Pregna-5,20-dien-3-ol, ?-D-Galactopyranoside 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068091	Shidasterone 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068092	Spirost-25(27)-ene-1,2,3,5-tetrol 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068093	Spirost-25(27)-ene-1,3,4,5-tetrol 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068094	Spirost-25(27)-ene-1,3,5,6-tetrol 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068095	Spirost-5-ene-1,3,23,24-tetrol 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MJ068096	Spirostane-2,3,5,6-tetrol, 6-Ketone 	C27H42O6	462.298139	NA	MeJP	NA	NA
+MetaCyc03637	3-dehydroecdysone []	C27H42O6	462.298139	NA	metacyc	NA	NA
+MJ068097	Protoverbine; N9-E-Cinnamoyl 	C28H38N4O2	462.299476	NA	MeJP	NA	NA
+MJ068098	Protoverbine; N9-Z-Cinnamoyl 	C28H38N4O2	462.299476	NA	MeJP	NA	NA
+MJ068099	2-Hexaprenyl-6-methoxy-1,4-benzoquinone 	C31H42O3	462.313395	NA	MeJP	NA	NA
+MJ068100	Paracentrone 	C31H42O3	462.313395	NA	MeJP	NA	NA
+MJ068101	Sintaxanthin; 3-Hydroxy, 5,6-epoxide 	C31H42O3	462.313395	NA	MeJP	NA	NA
+MJ068102	Thiothece 460 	C31H42O3	462.313395	NA	MeJP	NA	NA
+MJ068103	3,20-Diaminopregn-2-en-4-ol, 4-Ketone, N20,N20-di-Me, N3-benzoyl 	C30H42N2O2	462.324628	NA	MeJP	NA	NA
+MJ068104	Alfileramine 	C30H42N2O2	462.324628	NA	MeJP	NA	NA
+MJ068105	Culantraramine, N,N'-Di-de-Me 	C30H42N2O2	462.324628	NA	MeJP	NA	NA
+MJ068106	Isoalfileramine 	C30H42N2O2	462.324628	NA	MeJP	NA	NA
+MJ068107	13,17,19-Villanovanetriol, 19-O-(3-Methylpentanoyl), 17-Ac 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068108	2,3,14,22-Tetrahydroxyergost-7-en-6-one 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068109	2,3,22,23-Tetrahydroxyergost-24(28)-en-6-one 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068110	22,28-Epoxyergost-5-ene-3,25,28-triol, 5?,6?-Epoxide 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068111	3,13,17-Villanovanetriol, 3-O-(3-methylpentanoyl), 17-Ac 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068112	3,5,26-Trihydroxycholestan-6-one, 26-Carboxylic acid, Me ester 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068113	5,7-Dihydroxy-2-nonadecyl-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068114	6,13:12,16-Diepoxy-8(19)-eunicellene-3,4-diol, 3-Octanoyl 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068115	Archidorin 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068116	Ergost-5-ene-3,22,25,28-tetrol, 28-Aldehyde, 5?,6?-epoxide 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068117	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 5?,6-Dihydro, 18-Carboxylic acid 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068118	Hippuristanol 	C28H46O5	462.334524	NA	MeJP	NA	NA
+MJ068119	Ginsenoyne M 	C32H46O2	462.34978	NA	MeJP	NA	NA
+MJ068120	Ginsenoyne N 	C32H46O2	462.34978	NA	MeJP	NA	NA
+MJ068121	Spiropachysine 	C31H46N2O	462.361014	NA	MeJP	NA	NA
+MJ068122	Batzelladine D 	C25H46N6O2	462.368224	NA	MeJP	NA	NA
+MJ068123	2-Docosyl-3,6-dihydroxy-5-methyl-1,4-benzoquinone 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068124	23-Methylergost-16-ene-3,5,6,20-tetrol 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068125	3,22,23-Trihydroxystigmastan-6-one 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068126	3-(3,4-Dihydroxyphenyl)-1-propanol; 1-O-Eicosanoyl 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068127	7a-Acetyl-3a,4,5,6-tetrahydro-3a-hydroxy-1,2,6-trimethyl-6-(4,8,12-trimethyltridecyl)cyclopent[b]pyran-3(1H)-one 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068128	Cholestane-3,5,6-triol, 6-Ac 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068129	Cholestane-3,6,14-triol, 6-Ac 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068130	Stigmast-24(28)-ene-2,3,22,23-tetrol 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068131	Stigmast-7-ene-3,5,6,9-tetrol 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068132	VE-FPL 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068133	?-Tocopherol; 8',12'-Dihydroxy 	C29H50O4	462.37091	NA	MeJP	NA	NA
+MJ068134	22-Hentriacontene-2,4-dione 	C31H58O2	462.443681	NA	MeJP	NA	NA
+MJ068135	3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid; 2-Hydroxypropyl ester 	C10H11I2NO4	462.877744	NA	MeJP	NA	NA
+C08422	4-Hydroxyglucobrassicin	C16H19N2O10S2	463.0481	NA	KEGG	NA	NA
+HMDB00580	Chondroitin sulfate	C13H21NO15S	463.0632	http://www.hmdb.ca/metabolites/HMDB00580	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00580	Chondroitin sulfate	C13H21NO15S	463.0632	http://www.hmdb.ca/metabolites/HMDB00580	HMDB	NA	NA
+HMDB00580	Chondroitin sulfate	C13H21NO15S	463.0632	http://www.hmdb.ca/metabolites/HMDB00580	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00580	Chondroitin sulfate	C13H21NO15S	463.0632	HMDB00580	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00580	Chondroitin sulfate	C13H21NO15S	463.063202	NA	HMDB2010	NA	NA
+MJ068136	6-(Methylthio)-3-oxohexyl glucosinolate 	C14H25NO10S3	463.064058	NA	MeJP	NA	NA
+C03794	N6-(1,2-Dicarboxyethyl)-AMP	C14H18N5O11P	463.074	NA	KEGG	NA	NA
+HMDB00536	Adenylsuccinic acid	C14H18N5O11P	463.074036	NA	HMDB2010	NA	NA
+HMDB00536	Adenylsuccinic acid	C14H18N5O11P	463.07404	http://www.hmdb.ca/metabolites/HMDB00536	HMDB	NA	NA
+HMDB00536	Adenylsuccinic acid	C14H18N5O11P	463.07404	HMDB00536	PFEM_hmdb_metabocards_official	NA	NA
+MJ068137	Adenosylsuccinic acid; 6'-Phosphate 	C14H18N5O11P	463.074042	NA	MeJP	NA	NA
+MJ068138	N6-(1,2-Dicarboxyethyl)-AMP 	C14H18N5O11P	463.074043	NA	MeJP	NA	NA
+MetaCyc03638	adenylo-succinate [N6-(1,2-dicarboxyethyl)-AMP;adenylo-succ;]	C14H18N5O11P1	463.074043	19240-42-7	metacyc	NA	NA
+C13853	L 735821	C25H19Cl2N3O2	463.0854	NA	KEGG	NA	NA
+C17252	7-Methylthioheptyl glucosinolate	C15H29NO9S3	463.1004	NA	KEGG	NA	NA
+MJ068139	7-(Methylthio)heptyl glucosinolate 	C15H29NO9S3	463.100443	NA	MeJP	NA	NA
+C12141	Peonidin 3-O-glucoside	C22H23O11	463.124	NA	KEGG	NA	NA
+FL7AADGA0001	Peonidin 3-galactoside	C22H23O11	463.12403	28148-89-2	knapsack	NA	NA
+FL7AADGL0002	Oxycoccicyanin;Peonidin 3-O-beta-D-glucopyranoside	C22H23O11	463.12403	6906-39-4	knapsack	NA	NA
+FL7AAHGS0002	Petunidin 3-rhamnoside	C22H23O11	463.12403	125107-91-7	knapsack	NA	NA
+FL7AAIGS0002	Malvidin 3-arabinoside	C22H23O11	463.12403	28500-04-1	knapsack	NA	NA
+FL7ABCGL0001	5-Methylcyanidin 3-glucoside	C22H23O11	463.12403	64164-89-2	knapsack	NA	NA
+FL7ABGGS0001	Pulchellidin 3-rhamnoside	C22H23O11	463.12403	-	knapsack	NA	NA
+MJ068140	2-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, p-Nitrophenyl glycoside 	C18H25NO13	463.132589	NA	MeJP	NA	NA
+MJ068141	2-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, p-Nitrophenyl glycoside 	C18H25NO13	463.132589	NA	MeJP	NA	NA
+PJ001948	CNNN 	C15H25N7O8S	463.1485	NA	PeJP	NA	NA
+PJ001949	GGCNN 	C15H25N7O8S	463.1486	NA	PeJP	NA	NA
+PJ001950	SNDE 	C16H25N5O11	463.1551	NA	PeJP	NA	NA
+PJ001951	PCNM 	C17H29N5O6S2	463.1559	NA	PeJP	NA	NA
+PJ001952	GGPCM 	C17H29N5O6S2	463.156	NA	PeJP	NA	NA
+PJ001953	GSDW 	C20H25N5O8	463.1703	NA	PeJP	NA	NA
+PJ001954	GQEM 	C17H29N5O8S	463.1737	NA	PeJP	NA	NA
+C11750	Pivampicillin	C22H29N3O6S	463.1777	NA	KEGG	NA	NA
+MJ068142	Pivampicillin 	C22H29N3O6S	463.177706	NA	MeJP	NA	NA
+PJ001955	GCER 	C16H29N7O7S	463.1849	NA	PeJP	NA	NA
+MJ068143	Naamidine A; 10-Hydroxy, O11-Me 	C24H25N5O5	463.185568	NA	MeJP	NA	NA
+MJ068144	Naamidine A; 14-Hydroxy, O11-Me 	C24H25N5O5	463.185568	NA	MeJP	NA	NA
+MJ068145	Naamidine A; 14-Methoxy 	C24H25N5O5	463.185568	NA	MeJP	NA	NA
+PJ001956	QMW 	C21H29N5O5S	463.189	NA	PeJP	NA	NA
+PJ001957	STQE 	C17H29N5O10	463.1915	NA	PeJP	NA	NA
+PJ001958	GNHH 	C18H25N9O6	463.1928	NA	PeJP	NA	NA
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	HMDB	NA	NA
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	Inhouse_PFEM	NA	NA
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC001	16alpha,17beta-estriol 17-beta-D-glucuronide	C24H31O9	463.1958	RT11.4	PFEM_hmdb_metabocards_official	NA	NA
+MJ068146	Speciosine, 10-O-De-Me 	C27H29NO6	463.199487	NA	MeJP	NA	NA
+MJ068147	Speciosine, 2-O-De-Me 	C27H29NO6	463.199487	NA	MeJP	NA	NA
+MJ068148	Speciosine, 3-O-De-Me 	C27H29NO6	463.199487	NA	MeJP	NA	NA
+PJ001959	CRW 	C20H29N7O4S	463.2002	NA	PeJP	NA	NA
+PJ001960	SSDR 	C16H29N7O9	463.2027	NA	PeJP	NA	NA
+PJ001961	GTTW 	C21H29N5O7	463.2067	NA	PeJP	NA	NA
+MJ068149	Tafenoquine 	C24H28F3N3O3	463.208276	NA	MeJP	NA	NA
+PJ001962	GKEM 	C18H33N5O7S	463.2101	NA	PeJP	NA	NA
+MJ068150	Cyclohexyl[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl]phosphinic acid 	C24H34NO6P	463.212374	NA	MeJP	NA	NA
+PJ001963	PPNH 	C20H29N7O6	463.218	NA	PeJP	NA	NA
+PJ001964	GTMR 	C17H33N7O6S	463.2213	NA	PeJP	NA	NA
+PJ001965	KMW 	C22H33N5O4S	463.2253	NA	PeJP	NA	NA
+MJ068151	N-[3-[4-[4-(Tetrahydro-1,3-dioxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)butyl]-1-piperazinyl]phenyl]ethanesulfonamide 	C22H33N5O4S	463.225325	NA	MeJP	NA	NA
+PJ001966	STKE 	C18H33N5O9	463.2278	NA	PeJP	NA	NA
+MetaCyc03639	ketoconazol []	C26H31N4O4	463.234531	NA	metacyc	NA	NA
+MJ068152	Lythrumine; O3-Ac 	C28H33NO5	463.235873	NA	MeJP	NA	NA
+MJ068153	Mepramidil 	C28H33NO5	463.235873	NA	MeJP	NA	NA
+MJ068154	Rosellichalasin 	C28H33NO5	463.235873	NA	MeJP	NA	NA
+MJ068155	Zygosporin D; 21-Ketone 	C28H33NO5	463.235873	NA	MeJP	NA	NA
+7700	ACE inhibitor from human plasma	YLYEIAR	463.237	MH2+	Inhouse_peptide	NA	peptide
+PJ001967	STTR 	C17H33N7O8	463.2391	NA	PeJP	NA	NA
+MJ068156	2-[2-(Dimethylamino)ethyl]-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-6-ol, N-Me, 4-methylbenzenesulfonate 	C25H37NO5S	463.239243	NA	MeJP	NA	NA
+PJ001968	GPKY 	C22H33N5O6	463.2431	NA	PeJP	NA	NA
+PJ001969	SVKM 	C19H37N5O6S	463.2465	NA	PeJP	NA	NA
+MJ068157	Paraherquamide A; 14-Deoxy, N-De-Me 	C27H33N3O4	463.247106	NA	MeJP	NA	NA
+MJ068158	Paraherquamide B 	C27H33N3O4	463.247106	NA	MeJP	NA	NA
+PJ001970	AAFR 	C21H33N7O5	463.2543	NA	PeJP	NA	NA
+MJ068159	Delcorine; 6-Ketone, O1-de-Me 	C25H37NO7	463.257002	NA	MeJP	NA	NA
+MJ068160	Delcorine; 6-Ketone, O14-de-Me 	C25H37NO7	463.257002	NA	MeJP	NA	NA
+MJ068161	Dictyocarpinine; 14-Me ether, 6-ketone 	C25H37NO7	463.257002	NA	MeJP	NA	NA
+MJ068162	Gadesine; O14-Ac 	C25H37NO7	463.257002	NA	MeJP	NA	NA
+MJ068163	Guenerine 	C25H37NO7	463.257002	NA	MeJP	NA	NA
+MJ068164	Antibiotic I-SKB2 	C19H37N5O8	463.264213	NA	MeJP	NA	NA
+MJ068165	Mutamicin 1 	C19H37N5O8	463.264213	NA	MeJP	NA	NA
+MJ068166	Mutamicin 4 	C19H37N5O8	463.264213	NA	MeJP	NA	NA
+EUR846	Lyso PE 18:2 [M-H-CH3]-	C23H44NO7P	463.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR846	Lyso PE 18:2 [M-H-CH3]-	C23H44NO7P	463.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR846	Lyso PE 18:2 [M-H-CH3]-	C23H44NO7P	463.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR846	Lyso PE 18:2 [M-H-CH3]-	C23H44NO7P	463.269892	masses lipides attendues	Inhousejuil11	NA	NA
+8098	ADNF-9	SALLRSIPA	463.2715	MH2+	Inhouse_peptide	NA	peptide
+MJ068167	Ascochalasin; 21,22-Didehydro(E-) 	C29H37NO4	463.272258	NA	MeJP	NA	NA
+MJ068168	Bucromarone 	C29H37NO4	463.272258	NA	MeJP	NA	NA
+MJ068169	Cytochalasin B; 7-Deoxy 	C29H37NO4	463.272258	NA	MeJP	NA	NA
+PJ001971	GLKF 	C23H37N5O5	463.2795	NA	PeJP	NA	NA
+MJ068170	Bilastine 	C28H37N3O3	463.283492	NA	MeJP	NA	NA
+MJ068171	Bicolorine; O1,O8-Di-Me, O6-Ac 	C26H41NO6	463.293388	NA	MeJP	NA	NA
+MJ068172	Delpheline; O6-Me 	C26H41NO6	463.293388	NA	MeJP	NA	NA
+MJ068173	Nudicaulamine; 14-Me ether 	C26H41NO6	463.293388	NA	MeJP	NA	NA
+MJ068174	Talatizamine; O14-Ac 	C26H41NO6	463.293388	NA	MeJP	NA	NA
+MJ068175	Antibiotic XK 62-4; 6',6'-Di-N-De-Me 	C20H41N5O7	463.300598	NA	MeJP	NA	NA
+MJ068176	Antibiotic Y 02077H? 	C20H41N5O7	463.300598	NA	MeJP	NA	NA
+MJ068177	Gentamicin C; Gentamicin C1, 4''-Demethyl 	C20H41N5O7	463.300598	NA	MeJP	NA	NA
+MJ068178	Gentamicin C; Gentamicin C2, 6'-Epimer 	C20H41N5O7	463.300598	NA	MeJP	NA	NA
+MJ068179	Gentamicin C; Gentamicin C2b 	C20H41N5O7	463.300598	NA	MeJP	NA	NA
+C02033	Gentamicin C2	C20H41N5O7	463.3006	NA	KEGG	NA	NA
+C17706	Gentamicin C2b	C20H41N5O7	463.3006	NA	KEGG	NA	NA
+MJ068180	Pingpeimine A 	C27H45NO5	463.329773	NA	MeJP	NA	NA
+C03858	D-Glucosyldihydrosphingosine	C24H49NO7	463.3509	NA	KEGG	NA	NA
+C03859	D-Glucosyllipopolysaccharide	C24H49NO7	463.3509	NA	KEGG	NA	NA
+MJ068181	Lucidine B; 14,15,16,17-Tetradehydro 	C30H45N3O	463.356263	NA	MeJP	NA	NA
+MJ068182	3,5-Acarnidine; 5,6Z-Didehydro 	C26H49N5O2	463.388625	NA	MeJP	NA	NA
+8233	Antioxidative peptide	AGWNIPIGT	463.73395	MH2+	Inhouse_peptide	NA	peptide
+MJ068183	Thelephenol 	C14H11Br3O3	463.825832	NA	MeJP	NA	NA
+MJ068184	Cacoxanthene; 2?,7,13-Tribromo 	C16H19Br3O	463.898603	NA	MeJP	NA	NA
+MJ068185	2-[(3-Bromophenyl)methyl]-6,8-dichloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-3-carboxylic acid 1,1-dioxide 	C15H11BrCl2N2O4S	463.899995	NA	MeJP	NA	NA
+MJ068186	Arboreol; 7-Epimer, 6'-bromo 	C20H17BrO8	464.01068	NA	MeJP	NA	NA
+MJ068187	Falconensin H 	C22H18Cl2O7	464.042958	NA	MeJP	NA	NA
+MJ068188	[Mercaptobutanedioato(1-)]triethylphosphinegold 	C10H20AuO4PS	464.048542	NA	MeJP	NA	NA
+MJ068189	4-Hydroxyindol-3-ylmethyl glucosinolate 	C16H20N2O10S2	464.055936	NA	MeJP	NA	NA
+MetaCyc03640	4-hydroxy-3-indolylmethyl-glucosinolate [4-hydroxyindol-3-ylmethylglucosinolate;4-hydroxyglucobrassicin;]	C16H20N2O10S2	464.055936	NA	metacyc	NA	NA
+MJ068190	Ellagic acid; 2-O-?-D-Glucopyranoside 	C20H16O13	464.05909	NA	MeJP	NA	NA
+C06775	11-O-Demethylpradinone I	C24H16O10	464.0743	NA	KEGG	NA	NA
+MJ068191	6-(2,4-Dihydroxy-6-methylbenzoyl)-2,5-dihydroxy-7-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]-1,4-naphthalenedione 	C24H16O10	464.074346	NA	MeJP	NA	NA
+MJ068192	6-[2,4-Dihydroxy-6-[(4-hydroxy-2-oxo-2H-pyran-6-yl)methyl]benzoyl]-2,7-dihydroxy-5-methyl-1,4-naphthalenedione 	C24H16O10	464.074346	NA	MeJP	NA	NA
+MJ068193	Fasciculin A; 3'''-Hydroxy 	C24H16O10	464.074346	NA	MeJP	NA	NA
+MJ068194	Pradimicin M 	C24H16O10	464.074346	NA	MeJP	NA	NA
+MJ068195	Mequitazine, N-Me, iodide 	C21H25IN2S	464.078312	NA	MeJP	NA	NA
+MJ068196	Bromosphaerodiol; 2,3-Dihydro 	C20H34Br2O2	464.092555	NA	MeJP	NA	NA
+MJ068197	Pinnaterpene A; O-De-Ac 	C20H34Br2O2	464.092555	NA	MeJP	NA	NA
+FL1AAGGS0001	Bractein	C21H20O12	464.09547	22684-08-8	knapsack	NA	NA
+FL1AAGGS0002	Bracteatin 6-glucoside	C21H20O12	464.09547	7056-91-9	knapsack	NA	NA
+FL2FACGS0010	Eriodictyol 7-glucuronide	C21H20O12	464.09547	618910-88-6;(125535-06-0)	knapsack	NA	NA
+FL2FACGS0014	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide	C21H20O12	464.09547	125535-06-0	knapsack	NA	NA
+FL3FAGCS0001	Isoaffinetin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O12	464.09547	60476-24-6	knapsack	NA	NA
+FL3FAGCS0002	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside	C21H20O12	464.09547	-	knapsack	NA	NA
+FL3FAGGS0001	Tricetin 7-glucoside	C21H20O12	464.09547	77298-67-0	knapsack	NA	NA
+FL3FAGGS0003	Tricetin 3'-glucoside	C21H20O12	464.09547	22149-72-0	knapsack	NA	NA
+FL3FALCS0001	6-C-beta-D-Glucopyranosyl-5,7,2',4',5'-pentahydroxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O12	464.09547	271601-13-9	knapsack	NA	NA
+FL3FALGS0001	Isoetin 7-glucoside	C21H20O12	464.09547	67776-47-0	knapsack	NA	NA
+FL3FALGS0003	Isoetin 5'-glucoside	C21H20O12	464.09547	118169-24-7	knapsack	NA	NA
+FL3FECGS0002	6-Hydroxyluteolin 5-glucoside	C21H20O12	464.09547	80007-06-3	knapsack	NA	NA
+FL3FECGS0005	6-Hydroxyluteolin 6-glucoside	C21H20O12	464.09547	72380-28-0	knapsack	NA	NA
+FL3FECGS0011	6-Hydroxyluteolin 7-glucoside	C21H20O12	464.09547	54300-65-1	knapsack	NA	NA
+FL3FECGS0012	6-Hydroxyluteolin 7-galactoside	C21H20O12	464.09547	37769-54-3	knapsack	NA	NA
+FL3FEGGS0001	6-Hydroxytricetin 5-rhamnoside	C21H20O12	464.09547	-	knapsack	NA	NA
+FL3FFCGS0002	8-Hydroxyluteolin 7-glucoside	C21H20O12	464.09547	32455-43-9	knapsack	NA	NA
+FL3FFCGS0003	8-Hydroxyluteolin 8-glucoside;Hypolaetin 8-O-beta-D-glucoside	C21H20O12	464.09547	27686-36-8	knapsack	NA	NA
+FL3FGCGS0001	5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-apioside	C21H20O12	464.09547	-	knapsack	NA	NA
+FL5F1GGS0001	Robinetin 7-glucoside	C21H20O12	464.09547	-	knapsack	NA	NA
+FL5FA8GS0001	3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C21H20O12	464.09547	172428-47-6	knapsack	NA	NA
+FL5FACCS0001	6-C-Glucosylquercetin;6-beta-D-Glucopyranosyl-3,5,7,3',4'-pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C21H20O12	464.09547	28225-11-8	knapsack	NA	NA
+FL5FACGA0001	Hyperin	C21H20O12	464.09547	482-36-0	knapsack	NA	NA
+FL5FACGL0001	Isoquercitrin;Hirsutrin;Quercetin 3-beta-D-glucoside;	C21H20O12	464.09547	482-35-9	knapsack	NA	NA
+FL5FACGS0005	Quercetin 3-alloside	C21H20O12	464.09547	90327-16-5	knapsack	NA	NA
+FL5FACGS0011	Quercetin 5-glucoside	C21H20O12	464.09547	34199-21-8	knapsack	NA	NA
+FL5FACGS0013	Quercetin 7-galactoside	C21H20O12	464.09547	59985-52-3	knapsack	NA	NA
+FL5FACGS0014	Quercimeritrin	C21H20O12	464.09547	491-50-9	knapsack	NA	NA
+FL5FACGS0018	Quercetin 3'-glucoside;3,5,7,3',4'-Pentahydroxyflavone	C21H20O12	464.09547	19254-30-9	knapsack	NA	NA
+FL5FACGS0019	Spiraeoside	C21H20O12	464.09547	20229-56-5	knapsack	NA	NA
+FL5FAGGS0004	Myricitrin	C21H20O12	464.09547	17912-87-7	knapsack	NA	NA
+FL5FAGGS0020	Myricetin 3'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dihydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C21H20O12	464.09547	38537-01-8	knapsack	NA	NA
+FL5FAHGS0004	Larycitrin 3-alpha-L-arabinofuranoside;Myricetin 3' methyl ether 3-alpha-L-arabinofuranoside;3-(alpha-L-arabinofuranosyloxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C21H20O12	464.09547	213314-27-3	knapsack	NA	NA
+FL5FDGGS0002	Annulatin 3'-xyloside	C21H20O12	464.09547	76010-06-5	knapsack	NA	NA
+FL5FEAGL0001	6-Hydroxykaempferol 3-glucoside	C21H20O12	464.09547	145134-61-8	knapsack	NA	NA
+FL5FEAGS0001	6-Hydroxykaempferol 7-glucoside	C21H20O12	464.09547	70056-55-2	knapsack	NA	NA
+FL5FEAGS0020	6-Hydroxykaempferol 7-alloside;7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O12	464.09547	205496-87-3	knapsack	NA	NA
+FL5FECGS0001	Quercetagetin 3-rhamnoside	C21H20O12	464.09547	64543-29-9	knapsack	NA	NA
+FL5FECGS0005	Patuletin 3-xyloside	C21H20O12	464.09547	107547-69-3	knapsack	NA	NA
+FL5FFAGL0001	Herbacetin 3-glucoside	C21H20O12	464.09547	24543-51-9	knapsack	NA	NA
+FL5FFAGS0002	Herbacetin 7-glucoside	C21H20O12	464.09547	35815-07-7	knapsack	NA	NA
+FL5FFAGS0006	Herbacetin 8-glucoside	C21H20O12	464.09547	11021-22-0	knapsack	NA	NA
+FL5FFAGS0009	Herbacetin 4'-glucoside	C21H20O12	464.09547	74355-98-9	knapsack	NA	NA
+FL5FFAGS0025	Herbacetin 3-beta-D-glucofuranoside;3-(b-D-Glucofuranosyloxy)-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O12	464.09547	169784-70-7	knapsack	NA	NA
+FL5FFCGS0001	Gossypetin 8-rhamnoside	C21H20O12	464.09547	94516-28-6	knapsack	NA	NA
+FL5FFCGS0004	Gossypetin 7-rhamnoside	C21H20O12	464.09547	94696-39-6	knapsack	NA	NA
+FL5FFCGS0011	Corniculatusin 3-alpha-L-arabinofuranoside	C21H20O12	464.09547	94740-33-7	knapsack	NA	NA
+MJ068198	Quercetin 3-O-glucoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068199	2',3,4',5,7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068200	2',3,5,6',7-Pentahydroxyflavone; 2'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068201	2',4',5,5',7-Pentahydroxyflavone; 4' or 5'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068202	2',4',5,5',7-Pentahydroxyflavone; 5'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068203	2',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068204	2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-3-benzofurancarboxylic acid; ?-D-Glucopyranosyl ester 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068205	3',4',5,5',7,8-Hexahydroxyflavone; 5-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068206	3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 3'-O-?-D-Xylopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068207	3',4',5,5',7-Pentahydroxyflavone; 3'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068208	3',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068209	3',4',5,6,7,8-Hexahydroxyflavone; 8-Me ether, 7-O-apioside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068210	3',4',5,6,7-Pentahydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068211	3',4',5,6,7-Pentahydroxyflavone; 6-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068212	3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068213	3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068214	3',4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068215	3',4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068216	3',4',5,7-Tetrahydroxyflavanone, 7-O-?-D-Glucuronopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068217	3',4,4',5',6-Pentahydroxyaurone; 4-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068218	3',4,4',5',6-Pentahydroxyaurone; 6-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068219	3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068220	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068221	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnofuranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068222	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068223	3,3',4',5,5',7-Hexahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068224	3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068225	3,3',4',5,6,7-Hexahydroxyflavone; 4'-Me ether, 3-O-?-L-arabinopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068226	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068227	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-L-Rhamnopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068228	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-Xyloside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068229	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-?-L-Arabinofuranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068230	3,3',4',5,7-Pentahydroxyflavone; 3'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068231	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Allopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068232	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Galactofuranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068233	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Galactopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068234	3,3',4',5,7-Pentahydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068235	3,3',4',5,7-Pentahydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068236	3,3',4',5,7-Pentahydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068237	3,3',4',5,7-Pentahydroxyflavone; 7-O-?-D-Galactopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068238	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-D-Arabinoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068239	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinofuranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068240	3,4',5,6,7-Pentahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068241	3,4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Allopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068242	3,4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068243	3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucofuranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068244	3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068245	3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068246	3,4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068247	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068248	4',5,6,7-Tetrahydroxyflavanone, 7-O-?-D-Glucuronopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068249	4',5,7,8-Tetrahydroxyflavanone, 7-O-?-D-Glucuronopyranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068250	6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavone 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068251	6-Glucosyl-2',4',5,5',7-pentahydroxyflavone 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068252	Affinetin 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068253	Bergenin; 11-O-(3,4-Dihydroxybenzoyl) 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068254	Hyperin 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068255	Incarnatrin 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068256	Isoaffinetin 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068257	Isoquercitrin 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068258	Mangiferin; 6'-Ac 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068259	Quercetin 3-glucofuranoside 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068260	Quercimeritrin 	C21H20O12	464.095476	NA	MeJP	NA	NA
+MJ068261	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside 	C21H21O12(+)	464.095476	NA	MeJP	NA	NA
+MJ068262	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C21H21O12(+)	464.095476	NA	MeJP	NA	NA
+MJ068263	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 7-O-?-D-Glucopyranoside 	C21H21O12(+)	464.095476	NA	MeJP	NA	NA
+MJ068264	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 7-O-Galactoside 	C21H21O12(+)	464.095476	NA	MeJP	NA	NA
+MJ068265	3,3',4',5,6,7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C21H21O12(+)	464.095476	NA	MeJP	NA	NA
+MetaCyc03641	quercetin-3-glucoside [quercetin-3-O-&beta;-D-glucoside;]	C21H20O12	464.095476	NA	metacyc	NA	NA
+C05623	Quercetin 3-O-glucoside	C21H20O12	464.0955	NA	KEGG	NA	NA
+C10050	Gossypetin 8-rhamnoside	C21H20O12	464.0955	NA	KEGG	NA	NA
+C10073	Hyperin	C21H20O12	464.0955	NA	KEGG	NA	NA
+C10108	Myricitrin	C21H20O12	464.0955	NA	KEGG	NA	NA
+C12639	Quercimeritrin	C21H20O12	464.0955	NA	KEGG	NA	NA
+C16410	Bracteatin 6-O-glucoside	C21H20O12	464.0955	NA	KEGG	NA	NA
+MJ068266	Pimetacin 	C25H21ClN2O3S	464.09614	NA	MeJP	NA	NA
+PJ001972	CCCH 	C15H24N6O5S3	464.0971	NA	PeJP	NA	NA
+MJ068267	Demeclocycline 	C21H21ClN2O8	464.098643	NA	MeJP	NA	NA
+MJ068268	Paederosidic acid 	C18H24O12S	464.098846	NA	MeJP	NA	NA
+MJ068269	Hydnocarpin 	C25H20O9	464.110732	NA	MeJP	NA	NA
+MJ068270	Isohydnocarpin 	C25H20O9	464.110732	NA	MeJP	NA	NA
+MJ068271	Neohydnocarpin 	C25H20O9	464.110732	NA	MeJP	NA	NA
+MJ068272	Scutellaprostin A; 4'-Hydroxy 	C25H20O9	464.110732	NA	MeJP	NA	NA
+MJ068273	Scutellaprostin D; 4'-Hydroxy 	C25H20O9	464.110732	NA	MeJP	NA	NA
+MJ068274	Pharbitic acid 	C22H24O9S	464.114103	NA	MeJP	NA	NA
+MJ068275	3,4,5-Trihydroxybenzoic acid; 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C18H24O14	464.116605	NA	MeJP	NA	NA
+MJ068276	2,2',3,3',7,7'-Hexahydroxy-1,1'-biphenanthrene; 3'-Me ether 	C29H20O6	464.125988	NA	MeJP	NA	NA
+7952	synthetic peptide	YYC	464.126	antioxidative	Inhouse_peptide	NA	peptide
+7976	synthetic peptide	YCY	464.126	antioxidative	Inhouse_peptide	NA	peptide
+7977	synthetic peptide	CYY	464.126	antioxidative	Inhouse_peptide	NA	peptide
+MJ068277	[3-[1-[[(3,4-Dichlorophenyl)acetyl]methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid 	C23H26Cl2N2O4	464.126962	NA	MeJP	NA	NA
+FL1C3CGS0013	Okanin 4-methyl ether 3'-glucoside	C22H24O11	464.13186	119227-96-2	knapsack	NA	NA
+FL1C3CGS0015	Okanin 4-methyl ether 4'-glucoside	C22H24O11	464.13186	94285-20-8	knapsack	NA	NA
+FL1C3CGS0018	Lanceolin	C22H24O11	464.13186	64181-95-9	knapsack	NA	NA
+FL1CADGS0001	Homoeriodictyolchalcone 2'-glucoside	C22H24O11	464.13186	80830-19-9	knapsack	NA	NA
+FL2FACGM0001	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie	C22H24O11	464.13186	35924-32-4	knapsack	NA	NA
+FL2FADCS0001	Dihydroscoparin	C22H24O11	464.13186	-	knapsack	NA	NA
+FL2FADGS0002	Viscumiside A	C22H24O11	464.13186	14982-11-7	knapsack	NA	NA
+FL2FAEGS0003	Hesperetin 5-O-glucoside	C22H24O11	464.13186	69651-80-5	knapsack	NA	NA
+FL2FAEGS0004	Hesperetin 7-O-glucoside	C22H24O11	464.13186	2500-68-7	knapsack	NA	NA
+FL2FCCGS0001	7-O-Methyleriodictyol 3'-O-glucoside	C22H24O11	464.13186	107140-38-5	knapsack	NA	NA
+FL4DAAGM0001	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside	C22H24O11	464.13186	95519-26-9	knapsack	NA	NA
+FL4DCACS0001	Keyakinol;(2R,3R)-6-beta-D-Glucopyranosyl-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C22H24O11	464.13186	62003-55-8	knapsack	NA	NA
+FL4DCAGS0002	Aromadendrin 7-methyl ether 5-glucoside	C22H24O11	464.13186	93078-93-4	knapsack	NA	NA
+MJ068278	1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068279	1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether, 1-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068280	1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068281	1,3,5,8-Tetrahydroxyxanthone; 3,5,8-Tri-Me ether, 1-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068282	2',3,3',4,4'-Pentahydroxychalcone, 3'-Me ether, 4'-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068283	2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 3'-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068284	2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 4'-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068285	2',3,4,4',6'-Pentahydroxychalcone; 3-Me ether, 2'-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068286	2',4',5,7-Tetrahydroxyflavanone, 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068287	2',5,6',7-Tetrahydroxyflavanone, 7-Me ether, 2'-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068288	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone; 3,5,6-Tri-Me ether 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068289	3',4',5,7-Tetrahydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068290	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068291	3',5,7-Trihydroxy-4'-methoxyflavanone, 5-O-?-D-Glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068292	3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-?-D-Glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068293	3,4',5,7-Tetrahydroxy-6-methylflavanone, 7-O-?-D-Glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068294	3,4',5,7-Tetrahydroxyflavanone, 7-Me ether, 5-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068295	3,4-Dihydroxybenzyl alcohol; 1'-O-(3,4-Dihydroxy-E-cinnamoyl), 4-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068296	3,4-Dihydroxybenzyl alcohol; 4-O-[3,4-Dihydroxycinnamoyl-(?3)-?-D-glucopyranoside] 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068297	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068298	3-Hydroxy-2-methyl-4H-pyran-4-one; O-[4-Hydroxy-3-methoxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068299	5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-?-D-glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068300	6-Glucopyranosyl-3,4',5,7-tetrahydroxyflavanone, 7-Me ether 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MJ068301	Protogenkwanin; 4'-O-?-D-Glucopyranoside 	C22H24O11	464.131861	NA	MeJP	NA	NA
+MetaCyc03642	hesperitin-7-O-&beta;-D-glucoside []	C22H24O11	464.131862	NA	metacyc	NA	NA
+C16422	Hesperetin 7-O-glucoside	C22H24O11	464.1319	NA	KEGG	NA	NA
+PJ001973	CNND 	C15H24N6O9S	464.1326	NA	PeJP	NA	NA
+MJ068302	Loprazolam 	C23H21ClN6O3	464.136366	NA	MeJP	NA	NA
+PJ001974	SDDE 	C16H24N4O12	464.1391	NA	PeJP	NA	NA
+PJ001975	PCDM 	C17H28N4O7S2	464.14	NA	PeJP	NA	NA
+MJ068303	Sibenadet 	C22H28N2O5S2	464.143963	NA	MeJP	NA	NA
+MJ068304	Diniprofylline 	C22H20N6O6	464.144432	NA	MeJP	NA	NA
+MJ068305	Asulacrine 	C24H24N4O4S	464.151825	NA	MeJP	NA	NA
+MJ068306	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, tetra-Ac 	C19H28O13	464.15299	NA	MeJP	NA	NA
+MJ068307	Diderroside 	C19H28O13	464.15299	NA	MeJP	NA	NA
+MJ068308	Ipolamiide; 6?-Hydroxy, 8-Ac 	C19H28O13	464.15299	NA	MeJP	NA	NA
+MJ068309	Lamalbide; 2'-Ac 	C19H28O13	464.15299	NA	MeJP	NA	NA
+PJ001976	GEEM 	C17H28N4O9S	464.1577	NA	PeJP	NA	NA
+MJ068310	7-Protoilludene-1,5,6,14-tetrol, 14-Aldehyde, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H29ClO7	464.16018	NA	MeJP	NA	NA
+MJ068311	7-Protoilludene-5,6,9,14-tetrol, 14-Aldehyde, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H29ClO7	464.16018	NA	MeJP	NA	NA
+MJ068312	3,4-Dihydro-4-oxodehydrotectol 	C30H24O5	464.162373	NA	MeJP	NA	NA
+C09405	Enhydrin	C23H28O10	464.1682	NA	KEGG	NA	NA
+C09463	Glaucolide A	C23H28O10	464.1682	NA	KEGG	NA	NA
+C09636	Diffutin	C23H28O10	464.1682	NA	KEGG	NA	NA
+C14895	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-	C23H28O10	464.1682	NA	KEGG	NA	NA
+FL6FAFGS0001	Diffutin	C23H28O10	464.16824	89289-91-8	knapsack	NA	NA
+FLIC1LGS0001	Isomucronulator 7-O-glucoside	C23H28O10	464.16824	136087-29-1	knapsack	NA	NA
+MJ068313	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(2-Methylpropanoyl), 13,14-di-Ac 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068314	2',3',4',7-Tetrahydroxyisoflavan, 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068315	2,3,4,5,6-Phenanthrenepentol; 9,10-Dihydro, 3,4,6-tri-Me ether, 2-O-?-D-glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068316	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,6-tri-Me ether, 4-O-?-D-glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068317	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,6-tri-Me ether, 2-O-?-D-glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068318	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 4,6,7-tri-Me ether, 2-O-?-D-glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068319	2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-Angeloyl, 9-Ac, Me ester 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068320	3',4',5,7-Tetrahydroxyflavan, 3',4'-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068321	3',7-Dihydroxy-2',4'-dimethoxyisoflavan, 7-O-?-D-Glucopyranoside 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068322	3,8,9-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068323	4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 2,13-di-Ac 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068324	4,5-Epoxy-2,8,13-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Hydroxypropenoyl), 2,13-di-Ac 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068325	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Methylpropenoyl), 10,13-di-Ac 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068326	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 9-(2S,3R-Epoxy-2-methylbutanoyl), 8-Ac, Me ester 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068327	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-O-(2,3-Epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068328	5,6,8,9-Tetrahydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, 9-(2,3-Epoxy-2-methylbutanoyl), 6-Ac, Me ester 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068329	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 15-Ac, Me ester 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068330	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-Ac, Me ester (1) 	C23H28O10	464.168247	NA	MeJP	NA	NA
+MJ068331	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-Ac, Me ester (2) 	C23H28O10	464.168247	NA	MeJP	NA	NA
+PJ001977	SNNM 	C16H28N6O8S	464.1689	NA	PeJP	NA	NA
+PJ001978	GGSNM 	C16H28N6O8S	464.169	NA	PeJP	NA	NA
+PJ001979	EMW 	C21H28N4O6S	464.173	NA	PeJP	NA	NA
+MJ068332	Asterriquinone D; 5'-(3-Methyl-1,3-butadienyl) 	C29H24N2O4	464.173607	NA	MeJP	NA	NA
+PJ001980	STEE 	C17H28N4O11	464.1755	NA	PeJP	NA	NA
+PJ001981	SPMM 	C18H32N4O6S2	464.1763	NA	PeJP	NA	NA
+PJ001982	GDHH 	C18H24N8O7	464.1768	NA	PeJP	NA	NA
+MJ068333	Antibiotic USF 19A 	C22H28N2O9	464.17948	NA	MeJP	NA	NA
+MJ068334	Dehexylantimycin; Dehexylantimycin A1 	C22H28N2O9	464.17948	NA	MeJP	NA	NA
+FLIAAINF0001	Pumilaisoflavone B	C27H28O7	464.1835	115712-90-8	knapsack	NA	NA
+FLIAAINP0002	Pumilaisoflavone A	C27H28O7	464.1835	115712-89-5	knapsack	NA	NA
+FLIAALNI0021	Euchrenone b4;5,7-Dihydroxy-2'-methoxy-4',5'-methylenedioxy-6,8-diprenylisoflavone	C27H28O7	464.1835	121795-46-8	knapsack	NA	NA
+MJ068335	2',4',5,5',7-Pentahydroxy-6,8-diprenylisoflavone; 2'-Me, 4',5'-methylene ether 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068336	3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 7-O-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)(E,E-), 6-Me ether 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068337	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-Benzoyl, 11-(3-methyl-2-butenoyl) 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068338	Aspulvinone F 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068339	Lespedezol A5 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068340	Pumilaisoflavone B 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068341	Pumilaisoflavone D; 4-(1,1-Dimethyl-2-propenyl)ether 	C27H28O7	464.183503	NA	MeJP	NA	NA
+MJ068342	Rocaglatic acid; Decarboxy, 3'-methoxy 	C27H28O7	464.183503	NA	MeJP	NA	NA
+PJ001983	GSSSQ 	C16H28N6O10	464.1867	NA	PeJP	NA	NA
+MJ068343	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl, 3-(3-methylsulfinyl-2-propenoyl)(R,E-) 	C24H32O7S	464.186874	NA	MeJP	NA	NA
+MJ068344	3,6-Dihydroxy-7(11)-eremophilen-12,8-olide, 6-Angeloyl, 3-(3-methylsulfinyl-2-propenoyl)(S,E-) 	C24H32O7S	464.186874	NA	MeJP	NA	NA
+MJ068345	7,8-Epoxy-3,6-dihydroxy-12,8-eremophilanolide, 3-(3-Methylthiopropenoyl)(Z-), 6-angeloyl 	C24H32O7S	464.186874	NA	MeJP	NA	NA
+PJ001984	GPEY 	C21H28N4O8	464.1907	NA	PeJP	NA	NA
+MJ068346	1-[2-(Dimethylamino)ethyl]-1,3,4,5-tetrahydro-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one, 3-Ac 	C24H27F3N2O4	464.192291	NA	MeJP	NA	NA
+8053	synthetic peptide	PWY	464.194	antioxidative	Inhouse_peptide	NA	peptide
+PJ001985	SVEM 	C18H32N4O8S	464.1941	NA	PeJP	NA	NA
+MJ068347	Secoplicamine 	C26H28N2O6	464.194736	NA	MeJP	NA	NA
+MJ068348	Chloronectrin 	C25H33ClO6	464.196566	NA	MeJP	NA	NA
+MJ068349	Mycosporin glutamicol; 1'-Amide, 5'-O-?-D-glucopyranoside 	C19H32N2O11	464.200609	NA	MeJP	NA	NA
+PJ001986	GNQF 	C20H28N6O7	464.202	NA	PeJP	NA	NA
+C05504	16-Glucuronide-estriol	C24H32O9	464.2046	NA	KEGG	NA	NA
+C05511	alpha-D-Ribose 1-diphosphate	C24H32O9	464.2046	NA	KEGG	NA	NA
+C11288	16alpha,17beta-Estriol 3-(beta-D-glucuronide)	C24H32O9	464.2046	NA	KEGG	NA	NA
+C11346	16alpha,17beta-Estriol 17-(beta-D-glucuronide)	C24H32O9	464.2046	NA	KEGG	NA	NA
+C16859	Renillafoulin A	C24H32O9	464.2046	NA	KEGG	NA	NA
+HMDB06766	Estriol-16-Glucuronide	C24H32O9	464.20462	http://www.hmdb.ca/metabolites/HMDB06766	HMDB	NA	NA
+HMDB06766	Estriol-16-Glucuronide	C24H32O9	464.20462	HMDB06766	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06766	Estriol-16-Glucuronide	C24H32O9	464.20462	NA	HMDB2010	NA	NA
+HMDB10333	Estriol-17-glucuronide	C24H32O9	464.20462	NA	HMDB2010	NA	NA
+HMDB10335	Estriol-3-glucuronide	C24H32O9	464.20462	NA	HMDB2010	NA	NA
+HMDB10353	15-hydroxynorandrostene-3,17-dione glucuronide	C24H32O9	464.20462	NA	HMDB2010	NA	NA
+HMDB10354	16-alpha,17-beta-estriol 17-beta-D-glucuronide	C24H32O9	464.20462	NA	HMDB2010	NA	NA
+MJ068350	1,4,6,9-Tetrahydroxy-11(13)-eudesmen-12,8-olide, 6-Angeloyl, 1,9-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068351	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,6-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068352	1,8-Dihydroxy-4,10(14),11(13)-germacratrien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 1-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068353	14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 14,15-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068354	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(3-Methyl-2-butenoyl), 10,11-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068355	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylbutanoyl), 2,9-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068356	2,8,9,10-Tetrahydroxy-3,11(13)-guaiadien-12,6-olide, 8-(3-Methylbutanoyl), 2,9-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068357	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2,9-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068358	3,10-Epoxy-2,8,9-trihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 2,9-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068359	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 3-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068360	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 19,20-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068361	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 3,19-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068362	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, 6,19-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068363	4,18:15,16-Diepoxy-3,6,10,19-tetrahydroxy-13(16),14-clerodadien-7-one, 3,19-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068364	4,5-Epoxy-1,8,13-trihydroxy-7(11)-germacren-12,6-olide, 8-Tigloyl, di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068365	7,20-Epoxy-1,6,7,11,19-pentahydroxy-16-kauren-15-one, 11,19-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068366	8,17-Epoxy-2,3,9,12-tetrahydroxy-5,13-briaradien-18,7-olide; 2,3-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068367	8,17-Epoxy-2,9,12,14-tetrahydroxy-5,11(20)-briaradien-18,7-olide; 2,14-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068368	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,14-di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068369	8,17:11,20-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; 2,14-Di-Ac 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068370	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis(2-methylpropanoyl), Me ester 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068371	Alysine E 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068372	Coleon Y 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068373	Cyclobutatusin 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068374	Estra-1,3,5(10)-triene-3,16,17-triol, 16-O-?-D-Glucuronopyranoside 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068375	Isoasatone A; 3'-Hydroxy 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068376	Sakuraresinol 	C24H32O9	464.204632	NA	MeJP	NA	NA
+MJ068377	Shikokianoic acid 	C24H32O9	464.204632	NA	MeJP	NA	NA
+7686	ACE inhibitor from ovalbumin	FFGRCVSP	464.205	MH2+	Inhouse_peptide	NA	peptide
+PJ001987	SCQK 	C17H32N6O7S	464.2053	NA	PeJP	NA	NA
+MJ068378	Aspercolorin 	C25H28N4O5	464.20597	NA	MeJP	NA	NA
+PJ001988	PYW 	C25H28N4O5	464.206	NA	PeJP	NA	NA
+MetaCyc03643	copalyl diphosphate [copalyl-PP;]	C21H38O7P2	464.209277	NA	metacyc	NA	NA
+PJ001989	APMF 	C22H32N4O5S	464.2094	NA	PeJP	NA	NA
+PJ001990	ALMM 	C19H36N4O5S2	464.2127	NA	PeJP	NA	NA
+C02808	Acetylblasticidin S	C19H28N8O6	464.2132	NA	KEGG	NA	NA
+PJ001991	ATHH 	C19H28N8O6	464.2132	NA	PeJP	NA	NA
+C17960	Rhizocticin C	C17H33N6O7P	464.2148	NA	KEGG	NA	NA
+C17961	Rhizocticin D	C17H33N6O7P	464.2148	NA	KEGG	NA	NA
+MJ068379	Rhizocticin; Rhizocticin C 	C17H33N6O7P	464.214833	NA	MeJP	NA	NA
+MJ068380	Rhizocticin; Rhizocticin D 	C17H33N6O7P	464.214833	NA	MeJP	NA	NA
+MJ068381	Kitamycin A 	C23H32N2O8	464.215866	NA	MeJP	NA	NA
+MJ068382	Kitamycin B 	C23H32N2O8	464.215866	NA	MeJP	NA	NA
+MJ068383	Trichostatin A; O-?-D-Glucopyranoside 	C23H32N2O8	464.215866	NA	MeJP	NA	NA
+MJ068384	Trichostatin A; O-?-D-Glucopyranoside 	C23H32N2O8	464.215866	NA	MeJP	NA	NA
+MJ068385	Tryptophan, Na-?-D-Glucopyranosyl, Nb-hexanoyl 	C23H32N2O8	464.215866	NA	MeJP	NA	NA
+MJ068386	Tryptophan, Na-Hexanoyl, Nb-inosityl 	C23H32N2O8	464.215866	NA	MeJP	NA	NA
+MJ068387	Asparaginyl-D-tryptophylphenylalaninamide 	C24H28N6O4	464.217203	NA	MeJP	NA	NA
+MJ068388	1,3,6,7-Tetrahydroxy-2,5,8-triprenylxanthone 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068389	1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-1,4-pentanedione 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068390	11,19-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 19-(4-Hydroxy-3-methoxybenzoyl) 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068391	2,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one; 2?-form, 2-(4-Hydroxy-3-methoxybenzoyl) 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068392	2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7,7-dimethyl-10-(3-methyl-2-butenyl)benzo[1,2-b:4,5-b']dipyran-4(7H)-one, Tri-Me ether 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068393	2-(3,5-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-7,7-dimethyl-10-(3-methyl-2-butenyl)benzo[1,2-b:4,5-b']dipyran-4(7H)-one, Tri-Me ether 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068394	4-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxy-1-prenylxanthone 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068395	Bractatin 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068396	Dulciol B 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068397	Forbesione 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068398	Garciniaxanthone E 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068399	Isobractatin 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068400	Methyl 3,5,6-tri-O-benzylglucofuranoside 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068401	Mexicanin F 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068402	Nervosaxanthone 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068403	Nicandrenone; 26-Ketone 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068404	Roeperanone 	C28H32O6	464.219888	NA	MeJP	NA	NA
+MJ068405	Subelliptenone A 	C28H32O6	464.219888	NA	MeJP	NA	NA
+PJ001992	GSSSK 	C17H32N6O9	464.2231	NA	PeJP	NA	NA
+MJ068406	1,8-Epoxy-p-menthan-2-ol, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068407	2,5-Bornanediol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068408	2,6-Bornanediol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068409	2,6-Dimethyl-2,7-octadiene-1,6-diol, 6-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068410	2,9-Bornanediol; 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068411	Linalyl oxide; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068412	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068413	Tetrahydro-3-hydroxy-2,2,6-trimethyl-6-vinylpyran; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+MJ068414	p-Menth-1-ene-7,8-diol, 8-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O11	464.225761	NA	MeJP	NA	NA
+PJ001993	SPVY 	C22H32N4O7	464.2271	NA	PeJP	NA	NA
+PJ001994	TTLM 	C19H36N4O7S	464.2305	NA	PeJP	NA	NA
+8008	synthetic peptide	LWF	464.231	antibacterial	Inhouse_peptide	NA	peptide
+MJ068415	Naflocort 	C29H33FO4	464.236287	NA	MeJP	NA	NA
+34	Myosin	VFPMNPPK	464.2365	MH2+	Inhouse_peptide	NA	peptide
+PJ001995	GNKF 	C21H32N6O6	464.2384	NA	PeJP	NA	NA
+CJpos0799	Testosterone glucuronide isomer [(M+H)]+	C25H37O8	464.240475	C18rt(min)=7.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0800	Testosterone glucuronide [(M+H)]+	C25H37O8	464.240475	C18rt(min)=7.9 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0799	Testosterone glucuronide isomer [(M+H)]+	C25H37O8	464.240475	C18rt(min)=7.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0800	Testosterone glucuronide [(M+H)]+	C25H37O8	464.240475	C18rt(min)=7.9 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR091	Testosterone glucuronide	C25H36O8	464.241	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR091	Testosterone glucuronide	C25H36O8	464.241	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR091	Testosterone glucuronide	C25H36O8	464.241	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR091	Testosterone glucuronide	C25H36O8	464.241	Wishlist	Inhousejuil11	NA	NA
+C11134	Testosterone glucuronide	C25H36O8	464.241	NA	KEGG	NA	NA
+MJ068416	2,4,6,9-Tetrahydroxy-11(13)-pseudoguaien-12,8-olide, 2-Angeloyl, 4-(3-methylbutanoyl) 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068417	3,13-Clerodadien-15,16-olid-18-oic acid; 5?-form, ?-L-Arabinopyranosyl ester 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068418	3,13-Clerodadien-15,16-olid-19-oic acid, 19-O-?-L-Arabinopyranosyl ester 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068419	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11,12-Di-Ac 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068420	4,18-Epoxy-6,8,19-trihydroxy-11,13-clerodadien-15,16-olide, 11,12-Dihydro, 19-carboxylic acid, 6-(2-methylbutanoyl) 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068421	Acarbathogenin 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068422	Anodendrosin F 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068423	Antibiotic L 731128; 1-Hydroxy 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068424	Erinacine G 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068425	Luminacin; Luminacin E1, Demethoxy 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068426	Luminacin; Luminacin E3, Demethoxy 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068427	Luminacin; Luminacin F 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068428	Luminacin; Luminacin H 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068429	Nodusmicin; 18-Ac 	C25H36O8	464.241018	NA	MeJP	NA	NA
+MJ068430	p-Mentha-1,3,5-triene-3,7,8,9,10-pentol; 7,10-Bis(2-methylbutanoyl), 9-angeloyl 	C25H36O8	464.241018	NA	MeJP	NA	NA
+HMDB03193	Testosterone glucuronide	C25H36O8	464.241028	NA	HMDB2010	NA	NA
+HMDB10327	Dehydroisoandrosterone 3-glucuronide	C25H36O8	464.241028	NA	HMDB2010	NA	NA
+HMDB10348	Dehydroepiandrosterone 3-glucuronide	C25H36O8	464.241028	NA	HMDB2010	NA	NA
+HMDB03193	Testosterone glucuronide	C25H36O8	464.24103	http://www.hmdb.ca/metabolites/HMDB03193	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03193	Testosterone glucuronide	C25H36O8	464.24103	http://www.hmdb.ca/metabolites/HMDB03193	HMDB	NA	NA
+HMDB03193	Testosterone glucuronide	C25H36O8	464.24103	http://www.hmdb.ca/metabolites/HMDB03193	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03193	Testosterone glucuronide	C25H36O8	464.24103	HMDB03193	PFEM_hmdb_metabocards_official	NA	NA
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR465	Testosterone glucuronide F1	NA	464.241375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR465	Testosterone glucuronide F1	NA	464.241375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR465	Testosterone glucuronide F1	NA	464.241375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR465	Testostérone glucuronide F1	F1	464.241375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR465	Testosterone glucuronide F1	NA	464.241375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR465	Testosterone glucuronide F1	F1	464.241375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0611	Dehydroepiandrosterone glucuronide [(M-H)]-	C25H35O8	464.241525	C18rt(min)=8.2 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0612	Testosterone glucuronide [(M-H)]-	C25H35O8	464.241525	C18rt(min)=7.9 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0611	Dehydroepiandrosterone glucuronide [(M-H)]-	C25H35O8	464.241525	C18rt(min)=8.2 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0612	Testosterone glucuronide [(M-H)]-	C25H35O8	464.241525	C18rt(min)=7.9 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ001996	SCKK 	C18H36N6O6S	464.2417	NA	PeJP	NA	NA
+PJ001997	LFW 	C26H32N4O4	464.2424	NA	PeJP	NA	NA
+C01631	Z-Arg-Arg	C20H32N8O5	464.2496	NA	KEGG	NA	NA
+MJ068431	3,9-Dihydroxy-16-kauren-19-oic acid, 3-Cinnamoyl 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068432	5-Vouacapenol; 5?-form, 6?-Cinnamoyloxy, 7?-Hydroxy 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068433	7,15-Dihydroxy-16-kauren-19-oic acid, 15-Cinnamoyl(E-) 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068434	7,15-Dihydroxy-16-kauren-19-oic acid, 7-Cinnamoyl(E-) 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068435	8,11-Epoxy-7,11-dihydroxy-3,9,12-eunicellatrien-2-one, 11-Me ether, 7-(phenylacetyl) 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068436	Decinnamoyljolkinol B; 15-Cinnamoyl 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068437	Euphoractine E 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068438	O-(3-Hydroxy-7-drimen-11-yl)umbelliferone, O-Angeloyl 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068439	Tovophenone A 	C29H36O5	464.256274	NA	MeJP	NA	NA
+MJ068440	Cinprazole 	C30H32N4O	464.257611	NA	MeJP	NA	NA
+MJ068441	Janussine A 	C30H32N4O	464.257611	NA	MeJP	NA	NA
+2811	PEP inhibitor	VHLP	464.262	NA	Inhouse_peptide	NA	peptide
+PJ001998	GLLY 	C23H36N4O6	464.2635	NA	PeJP	NA	NA
+C09612	Psychotrine	C28H36N2O4	464.2675	NA	KEGG	NA	NA
+MJ068442	Psychotrine 	C28H36N2O4	464.267507	NA	MeJP	NA	NA
+PJ001999	PVLH 	C22H36N6O5	464.2747	NA	PeJP	NA	NA
+MJ068443	10,12-Epoxy-4,10-seco-13(15),17-spatadiene-2,5,10,12-tetrol, 10,12-Di-Me ether, 2,5-di-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068444	12,15,16-Spongianetriol, Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068445	2,7-Dolabelladiene-5,6,10,18-tetrol, 5,6,10-Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068446	2,7-Dolabelladiene-5,6,10,18-tetrol, 5,6,18-Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068447	2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 6?,7?-Epoxide, 11-butanoyl, 4-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068448	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 11-Butanoyl, 4-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068449	3,16,17,19-Kauranetetrol, 3,17,19-Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068450	6,13-Epoxy-8(19)-eunicellene-4,9,12-triol, Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068451	6,13-Epoxy-8-eunicellene-3,4,12-triol, Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068452	6,15,16-Spongianetriol, Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068453	7,13-Labdadiene-2,15,19-triol, 15-Succinoyl, 19-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068454	7,15-Isopimaradiene-2,3,19-triol, 19-O-?-D-threo-4-Deoxyhex-4-enopyranoside 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068455	7,15-Isopimaradiene-3,19-diol, 3-Ketone, 19-O-?-D-altropyranoside 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068456	8(17),13-Labdadiene-2,7,15,19-tetrol, 7,15,19-Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068457	8,13-Labdadiene-2,6,7,15-tetrol, 2,6,7-Tri-Ac 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068458	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Tigloyl 	C26H40O7	464.277403	NA	MeJP	NA	NA
+MJ068459	Antibiotic SU; Antibiotic SU1 	C20H40N4O8	464.284614	NA	MeJP	NA	NA
+MJ068460	Antibiotic SU; Antibiotic SU3 	C20H40N4O8	464.284614	NA	MeJP	NA	NA
+MJ068461	Gentamicin B1; 3',4'-Dideoxy 	C20H40N4O8	464.284614	NA	MeJP	NA	NA
+MJ068462	3,4-Seco-4(28),6,8(14),22,24-mariesapentaen-26,23-olid-3-oic acid 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068463	3-Hydroxy-12-oxo-13,15,17(20),22,24-isomalabaricapentaen-26-oic acid, 3-Ketone 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068464	7,15-Dihydroxy-16-kauren-19-oic acid, 7-Lachnophylloyl(E-) 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068465	Abiesanolide A 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068466	Celastrol; Me ester 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068467	Chamaecydin; 6-Oxo, 21?-alcohol 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068468	Chamaecydin; 6-Oxo, 21?-alcohol 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068469	Chamaecydin; 6?-Hydroxy 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068470	Chamaecydin; 6?-Hydroxy 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068471	Cochloxanthin; 4,5-Dihydro 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068472	Isopristimerin III 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068473	Kazinol C 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068474	Kazinol D 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068475	Lancilactone C 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068476	Petrosynol 	C30H40O4	464.292659	NA	MeJP	NA	NA
+MJ068477	Schisanlactone A 	C30H40O4	464.292659	NA	MeJP	NA	NA
+C08633	Pristimerin	C30H40O4	464.2927	NA	KEGG	NA	NA
+MJ068478	Foropafant 	C28H40N4S	464.297367	NA	MeJP	NA	NA
+MJ068479	Eurystatin; Eurystatin F 	C24H40N4O5	464.29987	NA	MeJP	NA	NA
+MJ068480	10-Aromadendranol, O-[3-Methyl-2Z-pentenoyl-(?2)-?-D-fucopyranoside] 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068481	12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, Me ester 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068482	2,3,14,20,22-Pentahydroxycholest-7-en-6-one 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068483	2,3,14,20,25-Pentahydroxycholest-7-en-6-one 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068484	2,3,14,22,25-Pentahydroxycholest-7-en-6-one 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068485	2,3,16,17-Phyllocladanetetrol, 2-(3-Methylbutanoyl), 3-Ac 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068486	22,25-Epoxyfurostane-2,3,6,26-tetrol 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068487	27-Nor-3,5,6,15-tetrahydroxyergost-22-en-26-oic acid 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068488	3,14,20,22,25-Pentahydroxycholest-7-en-6-one 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068489	3,14,21,22,25-Pentahydroxycholest-7-en-6-one 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068490	3,5,14,22,25-Pentahydroxycholest-7-en-6-one 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068491	6,13-Epoxy-4(18)-eunicellene-8,9,12-triol, 9-(3-Methylbutanoyl), 12-Ac 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068492	8(17),14-Labdadien-13-ol, 13-O-(3-O-Acetyl-?-D-xylopyranoside) 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068493	8(17),14-Labdadien-13-ol, 13-O-(4-O-Acetyl-?-D-xylopyranoside) 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068494	Aerocavin 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068495	Pregn-5-ene-3,14,20-triol, 3-O-(2,6-Dideoxy-?-L-lyxo-hexopyranoside) 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068496	Pregn-5-ene-3,14,20-triol, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranoside] 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068497	Pregn-5-ene-3,14,20-triol, 3-O-[2,6-Dideoxy-?-D-xylo-hexopyranoside] 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068498	Pregn-5-ene-3,17,20-triol, 20-O-(2,6-Dideoxy-arabino-hexopyranoside) 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068499	Spirostane-1,2,3,5-tetrol 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068500	Spirostane-1,3,4,5-tetrol 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068501	Spirostane-2,3,5,6-tetrol 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MJ068502	Xestobergsterol B; 1-Deoxy 	C27H44O6	464.313789	NA	MeJP	NA	NA
+MetaCyc03644	ecdysone [molting hormone;]	C27H44O6	464.313789	3604-87-3	metacyc	NA	NA
+C00477	Ecdysone	C27H44O6	464.3138	NA	KEGG	NA	NA
+C08835	Ponasterone A	C27H44O6	464.3138	NA	KEGG	NA	NA
+C16496	3-Epiecdysone	C27H44O6	464.3138	NA	KEGG	NA	NA
+MJ068503	17,27-Hentriacontadiene-2,4,6,30-tetrayne-1,8,29-triol 	C31H44O3	464.329045	NA	MeJP	NA	NA
+MJ068504	29-Hydroxy-4,17,27-hentriacontatriene-2,20,30-triynoic acid 	C31H44O3	464.329045	NA	MeJP	NA	NA
+MJ068505	Corticatic acid C 	C31H44O3	464.329045	NA	MeJP	NA	NA
+MJ068506	Difficol 	C31H44O3	464.329045	NA	MeJP	NA	NA
+MJ068507	3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-benzoyl 	C30H44N2O2	464.340278	NA	MeJP	NA	NA
+HMDB02163	Trihydroxycoprostanoic acid	C28H48O5	464.35016	http://www.hmdb.ca/metabolites/HMDB02163	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02163	Trihydroxycoprostanoic acid	C28H48O5	464.35016	http://www.hmdb.ca/metabolites/HMDB02163	HMDB	NA	NA
+HMDB02163	Trihydroxycoprostanoic acid	C28H48O5	464.35016	http://www.hmdb.ca/metabolites/HMDB02163	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02163	Trihydroxycoprostanoic acid	C28H48O5	464.35016	HMDB02163	PFEM_hmdb_metabocards_official	NA	NA
+MJ068508	3,4,5,25-Tetrahydroxyergostan-6-one 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068509	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-octadecanoyl 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068510	Brassinolide; 2-Deoxy 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068511	Ergost-24(28)-ene-1,3,5,6,11-pentol 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068512	Ergost-24(28)-ene-1,3,5,6,25-pentol 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068513	Ergost-24(28)-ene-3,6,15,16,26-pentol 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068514	Ergost-5-ene-3,22,25,28-tetrol, 5?,6?-Epoxide 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068515	Ergostane-2,3,6,22,23-pentol, 6-Ketone 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MJ068516	Nicobarsterol 	C28H48O5	464.350174	NA	MeJP	NA	NA
+MetaCyc03645	castasterone []	C28H48O5	464.350175	NA	metacyc	NA	NA
+HMDB02163	Trihydroxycoprostanoic acid	C28H48O5	464.350189	NA	HMDB2010	NA	NA
+C15794	Castasterone	C28H48O5	464.3502	NA	KEGG	NA	NA
+C17733	7-Oxateasterone	C28H48O5	464.3502	NA	KEGG	NA	NA
+C17735	7-Oxatyphasterol	C28H48O5	464.3502	NA	KEGG	NA	NA
+MJ068517	6,12,20(30)-Ursatrien-3-ol, Ac 	C32H48O2	464.36543	NA	MeJP	NA	NA
+MJ068518	Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-benzoyl 	C31H48N2O	464.376664	NA	MeJP	NA	NA
+MJ068519	Callyspongyne A 	C33H52O	464.401816	NA	MeJP	NA	NA
+MJ068520	Budmunchiamine L6 	C28H56N4O	464.445412	NA	MeJP	NA	NA
+C08377	Hentriacontane-14,16-dione	C31H60O2	464.4593	NA	KEGG	NA	NA
+MJ068521	10,12-Hentriacontanedione 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068522	10-Oxohentriacontanal 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068523	12,14-Hentriacontanedione 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068524	12-Oxohentriacontanal 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068525	14,16-Hentriacontanedione 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068526	19,27-Dimethyl-28-oxononacosanal 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068527	7-Hydroxy-26-methyl-26-triaconten-4-one 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068528	8,10-Hentriacontanedione 	C31H60O2	464.459331	NA	MeJP	NA	NA
+MJ068529	16-Dotriacontanone 	C32H64O	464.495716	NA	MeJP	NA	NA
+MJ068530	2-Dotriacontanone 	C32H64O	464.495716	NA	MeJP	NA	NA
+MJ068531	4-Dotriacontanone 	C32H64O	464.495716	NA	MeJP	NA	NA
+C08393	Tritriacontane	C33H68	464.5321	NA	KEGG	NA	NA
+MJ068532	11,17-Dimethylhentriacontane 	C33H68	464.532102	NA	MeJP	NA	NA
+MJ068533	2,3,4-Trimethyltriacontane 	C33H68	464.532102	NA	MeJP	NA	NA
+MJ068534	2-Methyldotriacontane 	C33H68	464.532102	NA	MeJP	NA	NA
+MJ068535	3-Methyldotriacontane 	C33H68	464.532102	NA	MeJP	NA	NA
+MJ068536	6-Methyldotriacontane 	C33H68	464.532102	NA	MeJP	NA	NA
+MJ068537	Tritriacontane 	C33H68	464.532102	NA	MeJP	NA	NA
+7577	ACE inhibitor from chicken muscle	FKGRYYP	464.731	MH2+	Inhouse_peptide	NA	peptide
+40	Creatine kinase	FKGRYYP	464.7325	MH2+	Inhouse_peptide	NA	peptide
+3416	ACE inhibitor	PSKIKWGD	464.74145	MH2+	Inhouse_peptide	NA	peptide
+MJ068538	1,1,1,15,15,15-Hexachloro-3,12-pentadecadiyn-8-amine, N-Ac 	C17H21Cl6NO	464.97543	NA	MeJP	NA	NA
+MJ068539	Psammaplin D 	C15H20BrN3O5S2	465.002774	NA	MeJP	NA	NA
+MJ068540	3-Hydroxy-6-(methylthio)hexyl glucosinolate 	C14H27NO10S3	465.079708	NA	MeJP	NA	NA
+MJ068541	6-(Methylthio)hexyl glucosinolate; S-Oxide 	C14H27NO10S3	465.079708	NA	MeJP	NA	NA
+C12138	Delphinidin 3-O-glucoside	C21H21O12	465.1033	NA	KEGG	NA	NA
+FL7AAGGA0001	Empetrin;Delphinidin 3-O-beta-D-galactopyranoside	C21H21O12	465.1033	68852-84-6	knapsack	NA	NA
+FL7AAGGL0002	Myrtillin;Delphinidin 3-O-beta-D-glucopyranoside	C21H21O12	465.1033	6906-38-3	knapsack	NA	NA
+FL7AAGGS0003	Bladhianin	C21H21O12	465.1033	32369-03-2	knapsack	NA	NA
+FL7AAGGS0004	Delphinidin 7-glucoside	C21H21O12	465.1033	27413-99-6	knapsack	NA	NA
+FL7AECGL0001	6-Hydroxycyanidin 3-glucoside	C21H21O12	465.1033	99124-24-0<BR>478693-93-5	knapsack	NA	NA
+MetaCyc03646	delphinidin-3-O-&beta;-D-glucoside [delfinidin-3-O-glucoside;]	C21H21O12	465.103301	NA	metacyc	NA	NA
+MJ068542	3-[[6-[(5-Fluoro-2-benzothiazolyl)methoxy]-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl]methyl]benzoic acid 	C25H20FNO5S	465.104621	NA	MeJP	NA	NA
+PJ002000	CNDD 	C15H23N5O10S	465.1166	NA	PeJP	NA	NA
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR251	Thiamine monophosphate F5	NA	465.130875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR251	Thiamine monophosphate F5	NA	465.130875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR251	Thiamine monophosphate F5	NA	465.130875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR251	Thiamine monophosphate F5	NA	465.130875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR251	Thiamin monophosphate F5	F5	465.130875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ002001	GSPCC 	C16H27N5O7S2	465.1352	NA	PeJP	NA	NA
+MJ068543	Tebuquine 	C26H25Cl2N3O	465.137467	NA	MeJP	NA	NA
+MJ068544	Nikkomycin Kx 	C19H23N5O9	465.149577	NA	MeJP	NA	NA
+MJ068545	Nikkomycin Kz 	C19H23N5O9	465.149577	NA	MeJP	NA	NA
+PJ002002	SNDM 	C16H27N5O9S	465.153	NA	PeJP	NA	NA
+MJ068546	3,4,5-Trihydroxy-2-[[2-[(3-pyridinylcarbonyl)amino]benzoyl]amino]benzoic acid; Tri-Me ether, Me ester 	C24H23N3O7	465.1536	NA	MeJP	NA	NA
+MJ068547	Bacampicillin 	C21H27N3O7S	465.15697	NA	MeJP	NA	NA
+C08122	Bacampicillin	C21H27N3O7S	465.157	NA	KEGG	NA	NA
+PJ002003	GTCW 	C20H27N5O6S	465.1682	NA	PeJP	NA	NA
+MJ068548	1,1'-Dimethyl-3,3'-bipyridinium(2+) 	C12H14N22(+)	465.169353	NA	MeJP	NA	NA
+PJ002004	GSSSE 	C16H27N5O11	465.1707	NA	PeJP	NA	NA
+PJ002005	GQMM 	C17H31N5O6S2	465.1716	NA	PeJP	NA	NA
+MJ068549	Omiloxetine 	C27H25F2NO4	465.175164	NA	MeJP	NA	NA
+MJ068550	8-Acetonylcorynoline; Ac 	C26H27NO7	465.178752	NA	MeJP	NA	NA
+MJ068551	Akrobomycin; 6-Deoxy 	C26H27NO7	465.178752	NA	MeJP	NA	NA
+MJ068552	Brasiliquinone B; 8-O-(3-Amino-2,3,6-trideoxy-?-L-ribo-hexopyranoside) 	C26H27NO7	465.178752	NA	MeJP	NA	NA
+MJ068553	Squamosamide 	C26H27NO7	465.178752	NA	MeJP	NA	NA
+MJ068554	Bevonium(1+); Methosulfate 	C23H31NO7S	465.182123	NA	MeJP	NA	NA
+MJ068555	Sulprostone 	C23H31NO7S	465.182123	NA	MeJP	NA	NA
+PJ002006	GCMR 	C16H31N7O5S2	465.1828	NA	PeJP	NA	NA
+MJ068556	Cisapride 	C23H29ClFN3O4	465.183062	NA	MeJP	NA	NA
+C06910	Cisapride	C23H29ClFN3O4	465.1831	NA	KEGG	NA	NA
+MJ068557	Mycosporin glutamicol; 5'-O-?-D-Glucopyranoside 	C19H31NO12	465.184625	NA	MeJP	NA	NA
+PJ002007	SSSW 	C20H27N5O8	465.186	NA	PeJP	NA	NA
+PJ002008	STQM 	C17H31N5O8S	465.1893	NA	PeJP	NA	NA
+PJ002009	GGTTM 	C17H31N5O8S	465.1894	NA	PeJP	NA	NA
+3490	ACE inhibitor from sake lees	FWN	465.1899	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB03323	Biotripyrrin-a	C25H27N3O6	465.189972	NA	HMDB2010	NA	NA
+HMDB03324	Biotripyrrin-b	C25H27N3O6	465.189972	NA	HMDB2010	NA	NA
+HMDB03323	Biotripyrrin-a	C25H27N3O6	465.19	http://www.hmdb.ca/metabolites/HMDB03323	HMDB	NA	NA
+HMDB03324	Biotripyrrin-b	C25H27N3O6	465.19	http://www.hmdb.ca/metabolites/HMDB03324	HMDB	NA	NA
+HMDB03323	Biotripyrrin-a	C25H27N3O6	465.19	HMDB03323	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03324	Biotripyrrin-b	C25H27N3O6	465.19	HMDB03324	PFEM_hmdb_metabocards_official	NA	NA
+MJ068558	Ligularine 	C23H31NO9	465.199881	NA	MeJP	NA	NA
+PJ002010	STCR 	C16H31N7O7S	465.2006	NA	PeJP	NA	NA
+PJ002011	NFW 	C24H27N5O5	465.2012	NA	PeJP	NA	NA
+C13771	S9947	C29H27N3O3	465.2052	NA	KEGG	NA	NA
+MJ068559	21-Chloro-11-[4-(dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-dien-20-yn-3-one; N-Oxide 	C28H32ClNO3	465.207071	NA	MeJP	NA	NA
+PJ002012	GSTTT 	C17H31N5O10	465.2071	NA	PeJP	NA	NA
+PJ002013	GKMM 	C18H35N5O5S2	465.208	NA	PeJP	NA	NA
+7671	ACE inhibitor from b-CN (56-59), mouse	QAFT	465.21	antioxidative	Inhouse_peptide	NA	peptide
+MJ068560	Delgramine 	C27H31NO6	465.215137	NA	MeJP	NA	NA
+MJ068561	Ignavine; 7?-Hydroxy 	C27H31NO6	465.215137	NA	MeJP	NA	NA
+PJ002014	GVQY 	C21H31N5O7	465.2224	NA	PeJP	NA	NA
+PJ002015	STKM 	C18H35N5O7S	465.2257	NA	PeJP	NA	NA
+MJ068562	Cadabicine; 4-Methoxy 	C26H31N3O5	465.226371	NA	MeJP	NA	NA
+MJ068563	Capparisine 	C26H31N3O5	465.226371	NA	MeJP	NA	NA
+MJ068564	Codonocarpine 	C26H31N3O5	465.226371	NA	MeJP	NA	NA
+C10582	Codonocarpine	C26H31N3O5	465.2264	NA	KEGG	NA	NA
+3278	NA	GHRP	465.232	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002016	QRY 	C20H31N7O6	465.2336	NA	PeJP	NA	NA
+CJpos0801	Testosterone glucuronide [(M+H)]+ (13C)	C2413CH37O8	465.243875	C18rt(min)=7.9 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0801	Testosterone glucuronide [(M+H)]+ (13C)	C2413CH37O8	465.243875	C18rt(min)=7.9 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ002017	GPHR 	C19H31N9O5	465.2448	NA	PeJP	NA	NA
+CJneg0613	Dehydroepiandrosterone glucuronide [(M-H)]- (13C)	C2413CH35O8	465.244925	C18rt(min)=8.2 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0614	Testosterone glucuronide [(M-H)]- (13C)	C2413CH35O8	465.244925	C18rt(min)=7.9 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0613	Dehydroepiandrosterone glucuronide [(M-H)]- (13C)	C2413CH35O8	465.244925	C18rt(min)=8.2 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0614	Testosterone glucuronide [(M-H)]- (13C)	C2413CH35O8	465.244925	C18rt(min)=7.9 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ068565	7,18-Dihydroxy-16,18-dimethyl-10-phenyl-22-oxa[12]cytochalasa-6(12),13,19-triene-1,21-dione 	C28H35NO5	465.251523	NA	MeJP	NA	NA
+MJ068566	7-Hydroperoxy-17-hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-5,13,19-triene-1,21-dione 	C28H35NO5	465.251523	NA	MeJP	NA	NA
+MJ068567	Cytochalasin C; 5?,6?-Dihydro, 7-ketone, O-de-Ac 	C28H35NO5	465.251523	NA	MeJP	NA	NA
+MJ068568	Cytochalasin C; O-De-Ac 	C28H35NO5	465.251523	NA	MeJP	NA	NA
+MJ068569	Trideacetylpyripyropene A; 7,11,19-Trideoxy, 3-propanoyl 	C28H35NO5	465.251523	NA	MeJP	NA	NA
+MJ068570	Zygosporin D 	C28H35NO5	465.251523	NA	MeJP	NA	NA
+HMDB01036	Angiotensin III	C46H66N12O9	465.253784	MH2+	Inhouse_peptide	NA	peptide
+3766	dipeptidyl carboxypeptidase inhibitor	PPRP	465.257	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ068571	Xenocoumacin 1 	C22H35N5O6	465.258733	NA	MeJP	NA	NA
+PJ002018	GVKY 	C22H35N5O6	465.2588	NA	PeJP	NA	NA
+PJ002019	KRY 	C21H35N7O5	465.27	NA	PeJP	NA	NA
+MJ068572	Acoseptrine; 10-Deoxy, O6-Ac 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068573	Browniine; 14-Ketone 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068574	Delcorine; O1,O14-Di-de-Me, O6-Me 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068575	Delcorine; O14-De-Me 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068576	Delphatine; O6-De-Me, 6-ketone 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068577	Dictyocarpinine; 14-Me ether 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068578	Dihydrogadesine; O14-Ac 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068579	Gadesine; 18-Methoxy, O14-Me 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068580	Pubescenine; O18-De-Me, 6-deoxy 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068581	Senbusine A; O14-Ac 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068582	Talitine B; O16-De-Me 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068583	Virescenine; O14-Ac 	C25H39NO7	465.272652	NA	MeJP	NA	NA
+MJ068584	3',4'-Dideoxykanamycin B; 3''-N-Me 	C19H39N5O8	465.279863	NA	MeJP	NA	NA
+EUR729	Lyso PC 14:1 monoisotopic mass 	C22H44NO7P	465.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR841	Lyso PE 18:1 [M-H-CH3]-	C23H46NO7P	465.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR729	Lyso PC 14:1 monoisotopic mass 	C22H44NO7P	465.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR841	Lyso PE 18:1 [M-H-CH3]-	C23H46NO7P	465.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR729	Lyso PC 14:1 monoisotopic mass 	C22H44NO7P	465.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR841	Lyso PE 18:1 [M-H-CH3]-	C23H46NO7P	465.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR729	Lyso PC 14:1 monoisotopic mass 	C22H44NO7P	465.285542	masses lipides attendues	Inhousejuil11	NA	NA
+EUR841	Lyso PE 18:1 [M-H-CH3]-	C23H46NO7P	465.285542	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10380	LysoPC(14:1(9Z))	C22H44NO7P	465.285553	NA	HMDB2010	NA	NA
+MJ068585	Ascochalasin 	C29H39NO4	465.287908	NA	MeJP	NA	NA
+MJ068586	Indanomycin; 16-Deethyl 	C29H39NO4	465.287908	NA	MeJP	NA	NA
+CJpos0802	Glycocholic acid [M+H]+	C26H44O6N	465.308475	C18rt(min)=8.43 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0803	Glycocholic acid isomer [M+H]+	C26H44O6N	465.308475	C18rt(min)=7.5 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0804	Glycocholic acid isomer [M+H]+	C26H44O6N	465.308475	C18rt(min)=7.75 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0805	Glycocholic acid isomer [M+H]+	C26H44O6N	465.308475	C18rt(min)=7.12 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0802	Glycocholic acid [M+H]+	C26H44O6N	465.308475	C18rt(min)=8.43 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0803	Glycocholic acid isomer [M+H]+	C26H44O6N	465.308475	C18rt(min)=7.5 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0804	Glycocholic acid isomer [M+H]+	C26H44O6N	465.308475	C18rt(min)=7.75 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJpos0805	Glycocholic acid isomer [M+H]+	C26H44O6N	465.308475	C18rt(min)=7.12 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR643	Glycocholic acid 	[M+H]+	465.309	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR643	Glycocholic acid 	[M+H]+	465.309	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR643	Glycocholic acid 	[M+H]+	465.309	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR643	Glycocholic acid 	[M+H]+	465.309	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C01921	Glycocholate	C26H43NO6	465.309	NA	KEGG	NA	NA
+C01923	Heteroglycan	C26H43NO6	465.309	NA	KEGG	NA	NA
+MJ068587	Glycocholate 	C26H43NO6	465.309038	NA	MeJP	NA	NA
+MJ068588	Chasmanine; 18-O-De-Me, 8,14-di-Me ether 	C26H43NO6	465.309038	NA	MeJP	NA	NA
+MJ068589	Chasmanine; 8-Me ether 	C26H43NO6	465.309038	NA	MeJP	NA	NA
+MJ068590	Glycocholic acid 	C26H43NO6	465.309038	NA	MeJP	NA	NA
+MJ068591	Senbusine A; O1,O6,O14-Tri-Me 	C26H43NO6	465.309038	NA	MeJP	NA	NA
+MetaCyc03647	glycocholate [glycocholic acid;3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholan-24-oylglycine;]	C26H43N1O6	465.309038	475-31-0	metacyc	NA	NA
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR643	Glycocholic acid 	NA	465.309039	identifiés dans standard mixture NuGO	HMDB	NA	NA
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	Inhouse_PFEM	NA	NA
+EUR643	Glycocholic acid 	NA	465.309039	466.316239	Inhouse_sept12	NA	NA
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR643	Glycocholic acid 	NA	465.309039	identifies dans standard mixture NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00138	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00138	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00138	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00138	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00138	HMDB	NA	NA
+HMDB00331	3a,7b,12a-Trihydroxyoxocholanyl-Glycine	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00331	HMDB	NA	NA
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	NA  ;SYN:(-)-tryptophan; (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; (S)-1H-Indole-3-alanine; (S)-2-Amino-3-(3-indolyl)propionic acid; (S)-a-Amino-1H-indole-3-propanoate; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-a-Aminoindole-3-propionate; (S)-a-Aminoindole-3-propionic acid; (S)-alpha-Amino-1H-indole-3-propanoic acid; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid; (S)-alpha-Aminoindole-3-propionic acid; (l)-tryptophan; (s)-a-amino-b-indolepropionate; (s)-a-amino-b-indolepropionic acid; (s)-alpha-amino-beta-indolepropionic acid; (s)-tryptophan; 1-beta-3-Indolylalanine; 1H-Indole-3-Alanine; 1beta-3-Indolylalanine; 2-Amino-3-indolylpropanoate; 2-Amino-3-indolylpropanoic acid; 3-Indol-3-ylalanine; Ardeytropin; H-TRP-oh; Indole-3-alanine; Kalma; L-(-)-tryptophan; L-Tryptophan; 3-(1H-indol-3-yl)-L-Alanine; L-alpha-amino-3-indolepropionic acid; L-alpha-aminoindole-3-propionic acid; L-beta-3-indolylalanine; L-tryptofan; L-tryptophane; Lopac-T-0254; Lyphan; Optimax; Pacitron; Sedanoct; Triptofano; Trofan; Tryptacin; Tryptan; Tryptophan; Tryptophane; Tryptophanum; alpha'-Amino-3-indolepropionic acid; alpha-Aminoindole-3-propionic acid; l-b-3-Indolylalanine; (S)-alpha-Amino-1H-indole-3-propanoate; (S)-alpha-Aminoindole-3-propionate; (s)-alpha-amino-beta-indolepropionate; (2S)-2-amino-3-(1H-indol-3-yl)propanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	http://www.hmdb.ca/metabolites/HMDB00138	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00138	Glycocholic acid	C26H43NO6	465.30905	HMDB00138	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00331	3a,7b,12a-Trihydroxyoxocholanyl-Glycine	C26H43NO6	465.30905	HMDB00331	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00138	Glycocholic acid	C26H43NO6	465.309052	NA	HMDB2010	NA	NA
+HMDB00331	3a,7b,12a-Trihydroxyoxocholanyl-Glycine	C26H43NO6	465.309052	NA	HMDB2010	NA	NA
+CJneg0615	Glycocholic acid [M-H]-	C26H42O6N	465.309625	C18rt(min)=8.43 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0616	Glycocholic acid isomer [M-H]-	C26H42O6N	465.309625	C18rt(min)=7.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0617	Glycocholic acid isomer [M-H]-	C26H42O6N	465.309625	C18rt(min)=7.75 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0618	Glycocholic acid isomer [M-H]-	C26H42O6N	465.309625	C18rt(min)=7.12 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0615	Glycocholic acid [M-H]-	C26H42O6N	465.309625	C18rt(min)=8.43 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0616	Glycocholic acid isomer [M-H]-	C26H42O6N	465.309625	C18rt(min)=7.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0617	Glycocholic acid isomer [M-H]-	C26H42O6N	465.309625	C18rt(min)=7.75 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+CJneg0618	Glycocholic acid isomer [M-H]-	C26H42O6N	465.309625	C18rt(min)=7.12 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ068592	18-Isocyano-4,6,8,10,12-pentamethoxy-13,15-dimethyl-1,13,15-nonadecatriene 	C27H47NO5	465.345423	NA	MeJP	NA	NA
+C03640	Sphingosyl-phosphocholine	C23H50N2O5P	465.3457	NA	KEGG	NA	NA
+HMDB06482	D-erythro-sphingosylphosphorylcholine	C23H50N2O5P	465.34573	http://www.hmdb.ca/metabolites/HMDB06482	HMDB	NA	NA
+HMDB06482	D-erythro-sphingosylphosphorylcholine	C23H50N2O5P	465.34573	HMDB06482	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06482	LysoSM(d18:1)	C23H50N2O5P	465.345734	NA	HMDB2010	NA	NA
+MJ068593	Sphingosyl-phosphocholine 	C23H50N2O5P	465.345734	NA	MeJP	NA	NA
+MetaCyc03648	sphingosyl-phosphocholine []	C23H50N2O5P1	465.345734	NA	metacyc	NA	NA
+MJ068594	3,5-Acarnidine 	C26H51N5O2	465.404275	NA	MeJP	NA	NA
+3657	NA	VTKFYFQ	465.733	MH2+	Inhouse_peptide	NA	peptide
+2672	synthetic fr, of human beta-CN (122-129) ACE inhibitor	ENLHLPLP	465.74945	MH2+	Inhouse_peptide	NA	peptide
+MJ068595	Canesolide 	C18H14Cl4O6	465.954449	NA	MeJP	NA	NA
+MJ068596	Chelonin B; 5-Bromo 	C19H20Br2N2O2	465.989153	NA	MeJP	NA	NA
+MJ068597	Temefos 	C16H20O6P2S3	465.989723	NA	MeJP	NA	NA
+MJ068598	Graciosin 	C17H24Br2O5	465.999049	NA	MeJP	NA	NA
+MJ068599	Carumonam 	C12H14N6O10S2	466.021282	NA	MeJP	NA	NA
+MJ068600	Bergenin; O-De-Me, 11-O-(3,4,5-trihydroxybenzoyl) 	C20H18O13	466.07474	NA	MeJP	NA	NA
+MJ068601	Bergenin; O-De-Me, 4-O-(3,4,5-trihydroxybenzoyl) 	C20H18O13	466.07474	NA	MeJP	NA	NA
+MJ068602	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4-Tri-Ac 	C24H18O10	466.089996	NA	MeJP	NA	NA
+MJ068603	10-Hydroxy-2H,13H-furo[3,2-c:5,4-h']bis[1]benzopyran-2,13-dione; O-(?-L-Rhamnoside) 	C24H18O10	466.089996	NA	MeJP	NA	NA
+MJ068604	Butaglionamide 	C19H22N4O6S2	466.098075	NA	MeJP	NA	NA
+MetaCyc03649	N-adenylylanthranilate []	C17H19N6O8P1	466.100198	NA	metacyc	NA	NA
+C03293	N-Adenylylanthranilate	C17H19N6O8P	466.1002	NA	KEGG	NA	NA
+C03294	N-Formylmethionyl-tRNA	C21H30N6O12PSR	466.1002	NA	KEGG	NA	NA
+PJ002020	CDDD 	C15H22N4O11S	466.1006	NA	PeJP	NA	NA
+MJ068605	Shoreaphenol 	C28H18O7	466.105252	NA	MeJP	NA	NA
+MJ068606	Benfotiamine 	C19H23N4O6PS	466.107591	NA	MeJP	NA	NA
+C03430	Quercetin 7-O-glucoside	C21H22O12	466.1111	NA	KEGG	NA	NA
+C17531	Plantagoside	C21H22O12	466.1111	NA	KEGG	NA	NA
+FL1CAGGS0001	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside	C21H22O12	466.11112	20126-64-1	knapsack	NA	NA
+FL1CHYGS0003	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside	C21H22O12	466.11112	97943-73-4	knapsack	NA	NA
+FL2FACGS0009	2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside	C21H22O12	466.11112	57943-73-4	knapsack	NA	NA
+FL2FAGGS0001	Plantagoside	C21H22O12	466.11112	78708-33-5	knapsack	NA	NA
+FL4DACCS0001	6-C-Glucopyranosyldihydroquercetin	C21H22O12	466.11112	112494-39-0	knapsack	NA	NA
+FL4DACGS0006	Taxifolin 3-galactoside	C21H22O12	466.11112	77122-69-1	knapsack	NA	NA
+FL4DACGS0007	(2R,3R)-Taxifolin 3-glucoside	C21H22O12	466.11112	27297-45-6	knapsack	NA	NA
+FL4DACGS0008	Isoglucodistylin	C21H22O12	466.11112	83648-98-0	knapsack	NA	NA
+FL4DACGS0009	(2S,3S)-Taxifolin 3-glucoside	C21H22O12	466.11112	129212-92-6	knapsack	NA	NA
+FL4DACGS0015	Taxifolin 5-galactoside	C21H22O12	466.11112	81074-97-7	knapsack	NA	NA
+FL4DACGS0016	Taxifolin 7-galactoside	C21H22O12	466.11112	72442-45-6	knapsack	NA	NA
+FL4DACGS0017	Taxifolin 7-glucoside	C21H22O12	466.11112	14292-40-1	knapsack	NA	NA
+FL4DACGS0019	Taxifolin 3'-glucoside	C21H22O12	466.11112	31106-05-5	knapsack	NA	NA
+FL4DACGS0021	Taxifolin 4'-glucoside	C21H22O12	466.11112	38690-65-2	knapsack	NA	NA
+FL4DAGGS0001	Ampelopsin 3-rhamnoside	C21H22O12	466.11112	80443-12-5	knapsack	NA	NA
+FL4DFAGS0001	Callunin	C21H22O12	466.11112	83905-64-0	knapsack	NA	NA
+MJ068607	1,2,5,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether, 5-O-?-D-glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068608	1,2,5,6,8-Pentahydroxyxanthone; 5,6-Di-Me ether, 2-O-?-D-glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068609	1,3,4,5,8-Pentahydroxyxanthone; 4,5-Di-Me ether, 1-O-?-D-glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068610	1,3,5,6,7-Pentahydroxyxanthone; 3,5-Di-Me ether, 7-O-?-D-glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068611	1,3,5,6,7-Pentahydroxyxanthone; 3,7-Di-Me ether, 5-O-?-D-glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068612	2',3,4,4',5,6'-Hexahydroxychalcone; 2'-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068613	2,3',4',5,7-Pentahydroxyflavanone; 2'-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068614	2,5-Dihydroxybenzoic acid; 5-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068615	3',4',5,5',7-Pentahydroxyflavanone, 3'-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068616	3,3',4',5,5',7-Hexahydroxyflavanone, 3-O-?-L-Rhamnopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068617	3,3',4',5,7-Pentahydroxyflavanone, 3'-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068618	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Galactopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068619	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068620	3,3',4',5,7-Pentahydroxyflavanone, 4'-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068621	3,3',4',5,7-Pentahydroxyflavanone, 5-O-?-D-Galactopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068622	3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-D-Galactopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068623	3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068624	3,3',4',5,7-Pentahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068625	3,3',4',5,7-Pentahydroxyflavanone, 3-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068626	3,4',5,7,8-Pentahydroxyflavanone, 8-O-?-D-Glucopyranoside 	C21H22O12	466.111126	NA	MeJP	NA	NA
+MJ068627	6-Glucosyl-3,3',4',5,7-pentahydroxyflavanone 	C21H22O12	466.111126	NA	MeJP	NA	NA
+FL2FACNN0001	Silandrin	C25H22O9	466.12638	70815-32-6	knapsack	NA	NA
+FL2FACNN0002	Silyhermin	C25H22O9	466.12638	96238-88-9	knapsack	NA	NA
+FL2FACNN0003	Neosilyhermin A	C25H22O9	466.12638	96291-04-2	knapsack	NA	NA
+FL2FACNN0004	Neosilyhermin B	C25H22O9	466.12638	96238-87-8	knapsack	NA	NA
+FL2FQUNN0001	Silymonin	C25H22O9	466.12638	70815-31-5	knapsack	NA	NA
+MJ068628	Cadensin D 	C25H22O9	466.126382	NA	MeJP	NA	NA
+MJ068629	Kielcorin, 6-Methoxy 	C25H22O9	466.126382	NA	MeJP	NA	NA
+MJ068630	Neosilyhermin A 	C25H22O9	466.126382	NA	MeJP	NA	NA
+MJ068631	Silandrin 	C25H22O9	466.126382	NA	MeJP	NA	NA
+MJ068632	Silyhermin 	C25H22O9	466.126382	NA	MeJP	NA	NA
+C08600	Silandrin	C25H22O9	466.1264	NA	KEGG	NA	NA
+C11315	S-(4-Azidophenacyl)glutathione	C18H22N6O7S	466.1271	NA	KEGG	NA	NA
+PJ002021	CCNQ 	C15H26N6O7S2	466.1305	NA	PeJP	NA	NA
+PJ002022	SDDM 	C16H26N4O10S	466.137	NA	PeJP	NA	NA
+MJ068633	7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(3-chloro-4,6-dihydroxy-2-methylbenzoyl) 	C23H27ClO8	466.139445	NA	MeJP	NA	NA
+MJ068634	Acetomeroctol 	C16H24HgO3	466.14317	NA	MeJP	NA	NA
+CJpos0806	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+Na)]+	C20H28NaO11	466.144575	C18rt(min)=8.68 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0806	4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid Glucuronide (and isomers) [(M+Na)]+	C20H28NaO11	466.144575	C18rt(min)=8.68 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+C09765	Agnuside	C22H26O11	466.1475	NA	KEGG	NA	NA
+FL63ADGS0001	Symplocoside	C22H26O11	466.14751	76502-76-6	knapsack	NA	NA
+FL63AEGS0001	Catechin 5-O-beta-D-glucopyranoside-4'-Me	C22H26O11	466.14751	-	knapsack	NA	NA
+FL6DADGS0001	Catechin-4-ol 3'-methyl ether 3-O-alpha-L-rhamnopyranoside	C22H26O11	466.14751	75303-47-8	knapsack	NA	NA
+MJ068635	1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 2-O-[4-Hydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068636	3,3',4',5,7-Pentahydroxyflavan, 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068637	3,3',4,4',5,7-Hexahydroxyflavan, 3'-Me ether, 3-O-?-L-rhamnopyranoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068638	Aucubigenin; 10-O-(4-Hydroxybenzoyl), 1-O-?-D-glucopyranoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068639	Aviprin, 2'-O-?-D-Glucopyranoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068640	Aviprin, 3'-O-?-D-Glucopyranoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068641	Catalpol; 10-O-Benzoyl 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068642	Catalpol; 6-O-Benzoyl 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068643	Curculigoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068644	Eurycomanol; 2-Ketone, 13?,18-epoxide, 15-Ac 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068645	Forsythenside B 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068646	Heraclenol, 3'-O-?-D-Glucopyranoside 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068647	Monomelittoside; 10-Benzoyl 	C22H26O11	466.147511	NA	MeJP	NA	NA
+MJ068648	Trifochalcanoloside I; 3-Hydroxy 	C22H26O11	466.147511	NA	MeJP	NA	NA
+PJ002023	GSSCN 	C15H26N6O9S	466.1482	NA	PeJP	NA	NA
+PJ002024	GEMM 	C17H30N4O7S2	466.1556	NA	PeJP	NA	NA
+MJ068649	Spiraprilat; Et ester 	C22H30N2O5S2	466.159613	NA	MeJP	NA	NA
+FL3FA9NP0008	Polystachin (flavone);(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one	C26H26O8	466.16276	70270-39-2	knapsack	NA	NA
+MJ068650	Araliangin 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068651	Cycloepiatalantin; 7-Ketone 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068652	Erythbigenol A; 1'',2''-Didehydro 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068653	Lehmbachol D 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068654	Polystachin 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068655	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',4,4'',5'-Tetra-Me ether, 3',6'-di-Ac 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068656	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',4,4'',6'-Tetra-Me ether, 3',5'-di-Ac 	C26H26O8	466.162767	NA	MeJP	NA	NA
+MJ068657	Antibiotic TAN 1030A 	C27H22N4O4	466.164105	NA	MeJP	NA	NA
+PJ002025	CCNK 	C16H30N6O6S2	466.1668	NA	PeJP	NA	NA
+PJ002026	GGCCK 	C16H30N6O6S2	466.1669	NA	PeJP	NA	NA
+MJ068658	Win 45204 	C29H23FN2O3	466.16927	NA	MeJP	NA	NA
+PJ002027	GDEF 	C20H26N4O9	466.17	NA	PeJP	NA	NA
+PJ002028	MMW 	C21H30N4O4S2	466.1709	NA	PeJP	NA	NA
+PJ002029	STEM 	C17H30N4O9S	466.1734	NA	PeJP	NA	NA
+PJ002030	ACHH 	C18H26N8O5S	466.1747	NA	PeJP	NA	NA
+MJ068659	7-Protoilludene-1,5,6,14-tetrol, 5-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H31ClO7	466.175831	NA	MeJP	NA	NA
+MJ068660	Lanproston 	C24H31ClO7	466.175831	NA	MeJP	NA	NA
+MJ068661	Tecomaquinone II 	C30H26O5	466.178023	NA	MeJP	NA	NA
+MJ068662	Chlornaltrexamine 	C24H32Cl2N2O3	466.178998	NA	MeJP	NA	NA
+PJ002031	GNNY 	C19H26N6O8	466.1812	NA	PeJP	NA	NA
+MJ068663	1,4-Dihydroxy-3-(3-hydroxy-3-methylbutyl)-2-napthalenecarboxylic acid; Me ester, 4-O-?-D-glucopyranoside 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068664	1-(3,4-Dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3,4,4'-Tri-Me ether, 5-O-?-D-glucopyranoside 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068665	3,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-Ac, 3-O-?-D-glucopyranoside 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068666	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-Ac, 3-O-?-D-glucopyranoside 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068667	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068668	Helmanticin; 1-Deangeloyl, 1-Ac 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068669	Helmanticin; 3'-Deangeloyl, 3'-Ac 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068670	Plagiochiline G; 10-Epimer, Ac 	C23H30O10	466.183897	NA	MeJP	NA	NA
+MJ068671	Plagiochiline G; Ac 	C23H30O10	466.183897	NA	MeJP	NA	NA
+PJ002032	DFW 	C24H26N4O6	466.1853	NA	PeJP	NA	NA
+PJ002033	GPMY 	C21H30N4O6S	466.1886	NA	PeJP	NA	NA
+MJ068672	Asterriquinone D; 2'-(1,1-Dimethyl-2-propenyl) 	C29H26N2O4	466.189257	NA	MeJP	NA	NA
+MJ068673	Asterriquinone D; 7'-(3-Methyl-2-butenyl) 	C29H26N2O4	466.189257	NA	MeJP	NA	NA
+MJ068674	Asterriquinone D; N-(1,1-Dimethyl-2-propenyl) 	C29H26N2O4	466.189257	NA	MeJP	NA	NA
+PJ002034	SVMM 	C18H34N4O6S2	466.192	NA	PeJP	NA	NA
+MJ068675	Clobetasol; 17-Propanoyl 	C25H32ClFO5	466.19223	NA	MeJP	NA	NA
+PJ002035	SSHH 	C18H26N8O7	466.1925	NA	PeJP	NA	NA
+MJ068676	Agrochelin 	C23H34N2O4S2	466.195998	NA	MeJP	NA	NA
+FLIAAANF0006	Eriotriochin	C27H30O7	466.19915	128585-07-9	knapsack	NA	NA
+FLIAAINI0001	Pumilaisoflavone C;5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone	C27H30O7	466.19915	122221-90-3	knapsack	NA	NA
+MJ068677	3',4',5',6,8-Pentahydroxy-2',7-diprenylisoflavone; 3',5'-Di-Me ether 	C27H30O7	466.199153	NA	MeJP	NA	NA
+MJ068678	Euchrenone b10; 1''-O-(2-Hydroxyethyl) 	C27H30O7	466.199153	NA	MeJP	NA	NA
+MJ068679	Nimbolide 	C27H30O7	466.199153	NA	MeJP	NA	NA
+MJ068680	Territrem C; 3',5'-Bis(demethoxy), 4'-Me ether 	C27H30O7	466.199153	NA	MeJP	NA	NA
+MJ068681	Staurosporine 	C28H26N4O3	466.20049	NA	MeJP	NA	NA
+MetaCyc03650	staurosporine [STP;]	C28H26N4O3	466.200491	NA	metacyc	NA	NA
+C02079	Staurosporine	C28H26N4O3	466.2005	NA	KEGG	NA	NA
+MJ068682	Fukinolidiol; 1-(3-Methylsulfinyl-2-propenoyl)(R,Z-), 9-(3-methylbutanoyl) 	C24H34O7S	466.202524	NA	MeJP	NA	NA
+MJ068683	Ustiloxin F 	C21H30N4O8	466.206363	NA	MeJP	NA	NA
+PJ002036	GVEY 	C21H30N4O8	466.2064	NA	PeJP	NA	NA
+MJ068684	Bis(3-oxoundecyl) tetrasulfide 	C22H42O2S4	466.206763	NA	MeJP	NA	NA
+3487	ACE inhibitor from sake lees	VWY	466.21	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ068685	Bervastatin 	C28H31FO5	466.215552	NA	MeJP	NA	NA
+PJ002037	ERY 	C20H30N6O7	466.2176	NA	PeJP	NA	NA
+MJ068686	1,2,5,12,14-Pentahydroxy-13(15)-cassen-16,12-olide, 1,2-Di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068687	1,2,5,7,12-Pentahydroxy-13(15)-cassen-16,12-olide, 1,2-Di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068688	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 6,19-Di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068689	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2-methylpropanoyl) 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068690	2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(2-methylpropanoyl) 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068691	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 10,11-di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068692	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 2,9-Di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068693	2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,14-di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068694	3,8,9,10-Tetrahydroxy-4,11(13)-germacradien-12,6-olide, 8-(2-Methylbutanoyl), 3,9-di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068695	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 6,19-Di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068696	8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 2,14-Di-Ac 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068697	Neosolaniol; 8-Pentanoyl 	C24H34O9	466.220282	NA	MeJP	NA	NA
+MJ068698	T2 Toxin 	C24H34O9	466.220282	NA	MeJP	NA	NA
+C09738	T-2 Toxin	C24H34O9	466.2203	NA	KEGG	NA	NA
+PJ002038	VYW 	C25H30N4O5	466.2216	NA	PeJP	NA	NA
+MJ068699	Monodontamide B; 21-Demethoxy, 22-deoxy 	C25H30N4O5	466.22162	NA	MeJP	NA	NA
+PJ002039	GLMF 	C22H34N4O5S	466.225	NA	PeJP	NA	NA
+HMDB01054	Dolichyl b-D-glucosyl phosphate	C21H39O9P	466.233154	NA	HMDB2010	NA	NA
+HMDB01054	Dolichyl b-D-glucosyl phosphate	C21H39O9P	466.23318	http://www.hmdb.ca/metabolites/HMDB01054	HMDB	NA	NA
+HMDB01054	Dolichyl b-D-glucosyl phosphate	C21H39O9P	466.23318	HMDB01054	PFEM_hmdb_metabocards_official	NA	NA
+MJ068700	18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide, 18-Oxo (lactone) 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068701	2,3,22-Trihydroxy-24,29-dinor-6,21-dioxo-1,3,5(10),7-friedelatetraen-23-al; 22?-form 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068702	Azadironolide; 23-Deoxy, 16-oxo 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068703	Fissistin 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068704	Isofissistin 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068705	Nicandrenone 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068706	Nicaphysalin E 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068707	Nimbocinol; 14?,15?-Epoxide, Ac 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068708	Nimbocinol; 17-Epimer, 17-hydroxy, 7-Ac 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068709	Nimbocinol; 17-Hydroxy, 7-Ac 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068710	Proceranone 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068711	Salpichrolide A; 15-Hydroxy 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068712	Withaphysalin A 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068713	Withaphysalin D 	C28H34O6	466.235538	NA	MeJP	NA	NA
+MJ068714	4-[3-[4-(Diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile 	C29H30N4O2	466.236876	NA	MeJP	NA	NA
+PJ002040	ATLY 	C22H34N4O7	466.2428	NA	PeJP	NA	NA
+MJ068715	Cylindramide 	C27H34N2O5	466.246772	NA	MeJP	NA	NA
+MJ068716	Minovincinine, 11-Methoxy, O-(3-Methyl-2-butenoyl) 	C27H34N2O5	466.246772	NA	MeJP	NA	NA
+MJ068717	Trefentanil 	C25H31FN6O2	466.249252	NA	MeJP	NA	NA
+PJ002041	PTLH 	C21H34N6O6	466.254	NA	PeJP	NA	NA
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR456	Dehydrotestosterone glucuronide F1	NA	466.254675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0807	Androsterone glucuronide [(M+H)]+	C25H39O8	466.256075	C18rt(min)=8.7 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0807	Androsterone glucuronide [(M+H)]+	C25H39O8	466.256075	C18rt(min)=8.7 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB02829	Androsterone glucuronide	C25H38O8	466.256653	NA	HMDB2010	NA	NA
+HMDB04484	Etiocholanolone glucuronide	C25H38O8	466.256653	NA	HMDB2010	NA	NA
+HMDB06203	5-alpha-Dihydrotestosterone glucuronide	C25H38O8	466.256653	NA	HMDB2010	NA	NA
+HMDB10365	3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide	C25H38O8	466.256653	NA	HMDB2010	NA	NA
+MJ068718	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 1-O-(2-Hydroxydecanoyl) 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068719	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2R-Hydroxydecanoyl) 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068720	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 1-O-(2-Hydroxydecanoyl) 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068721	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2R-Hydroxydecanoyl) 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068722	10(20)-Grayanotoxene-3,5,6,7,14,16-hexol, 6(14)-Propanoyl, 14(6)-Ac 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068723	3-Hydroxyandrostan-17-one, 3-(?-D-Glucuronopyranoside) 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068724	4,18:11,16:15,16-Triepoxy-6,15,19-clerodanetriol, 15-Me ether, 6,19-di-Ac 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068725	6,9,10-Trihydroxy-5-oxo-11(13)-germacren-12,8-olide, 6,9-Bis(2-methylbutanoyl) 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068726	Pregn-5-ene-3,8,11,12,14,20-hexol, 11,12-Di-Ac 	C25H38O8	466.256668	NA	MeJP	NA	NA
+MJ068727	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Di-Ac 	C25H38O8	466.256668	NA	MeJP	NA	NA
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	HMDB	NA	NA
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	HMDB	NA	NA
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	Inhouse_PFEM	NA	NA
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	Inhouse_PFEM	NA	NA
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR089	Androsterone glucuronide	C25H38O8	466.25667	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.25667	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02829	Androsterone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB02829	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06203	5alpha-Dihydrotestosterone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB06203	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02829	Androsterone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB02829	HMDB	NA	NA
+HMDB04484	Etiocholanolone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB04484	HMDB	NA	NA
+HMDB06203	5alpha-Dihydrotestosterone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB06203	HMDB	NA	NA
+HMDB02829	Androsterone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB02829	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06203	5alpha-Dihydrotestosterone glucuronide	C25H38O8	466.25668	http://www.hmdb.ca/metabolites/HMDB06203	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02829	Androsterone glucuronide	C25H38O8	466.25668	HMDB02829	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04484	Etiocholanolone glucuronide	C25H38O8	466.25668	HMDB04484	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06203	5alpha-Dihydrotestosterone glucuronide	C25H38O8	466.25668	HMDB06203	PFEM_hmdb_metabocards_official	NA	NA
+EUR089	Androsterone glucuronide	C25H38O8	466.2567	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.2567	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR089	Androsterone glucuronide	C25H38O8	466.2567	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.2567	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR089	Androsterone glucuronide	C25H38O8	466.2567	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.2567	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR089	Androsterone glucuronide	C25H38O8	466.2567	Wishlist	Inhousejuil11	NA	NA
+EUR090	DihydrotestosteroneGlucuronide	C25H38O8	466.2567	Wishlist	Inhousejuil11	NA	NA
+C11135	Androsterone glucuronide	C25H38O8	466.2567	NA	KEGG	NA	NA
+C11136	Etiocholan-3alpha-ol-17-one 3-glucuronide	C25H38O8	466.2567	NA	KEGG	NA	NA
+C11137	[Dihydroxymethylglutaryl-CoA reductase (NADPH)]	C25H38O8	466.2567	NA	KEGG	NA	NA
+C11139	[Dihydroxymethylglutaryl-CoA reductase (NADPH)] phosphate	C25H38O8	466.2567	NA	KEGG	NA	NA
+CJneg0619	Androsterone glucuronide [(M-H)]-	C25H37O8	466.257225	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0619	Androsterone glucuronide [(M-H)]-	C25H37O8	466.257225	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR450	Androsterone glucuronide F1	NA	466.263475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ068728	1,3,8,10-Tetrahydroxy-6-methyl-9(10H)-anthracenone, 3-Deoxy, 10-tetradecanoyl 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068729	2,3,22,23-Tetrahydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 22-Deoxy, 3-Me ether 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068730	2,3,22-Trihydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 3-Me ether 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068731	2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068732	2,3-Dihydroxy-6-oxo-23,24-dinor-1,3,5(10),7-friedelatetraen-29-oic acid; Me ester 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068733	O-(3-Hydroxy-8(12)-drimen-11-yl)umbelliferone, O-(3-Methylbutanoyl) 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068734	Pfaffic acid; 7,11-Dioxo, 3-ketone 	C29H38O5	466.271924	NA	MeJP	NA	NA
+MJ068735	Alkaloid C2 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068736	Rauwolfia obscura Alkaloid D1 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068737	Usambarensine; 10-Methoxy, 1'R,2',3',4'-tetrahydro 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068738	Usambarensine; 10-Methoxy, 1'S,2',3',4'-tetrahydro 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068739	Usambarine; 10-Hydroxy 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068740	Usambarine; 10-Methoxy, N-de-Me 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068741	Usambarine; 11-Hydroxy 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068742	uwolfia obscura Alkaloid C2 	C30H34N4O	466.273261	NA	MeJP	NA	NA
+MJ068743	Cephaeline 	C28H38N2O4	466.283157	NA	MeJP	NA	NA
+MJ068744	Febuverine 	C28H38N2O4	466.283157	NA	MeJP	NA	NA
+C09390	Cephaeline	C28H38N2O4	466.2832	NA	KEGG	NA	NA
+MJ068745	Nephila clavata Neurotoxin 1 JSTX-1 	C22H38N6O5	466.290368	NA	MeJP	NA	NA
+PJ002042	VVLH 	C22H38N6O5	466.2904	NA	PeJP	NA	NA
+MJ068746	16-Kaurene-2,13-diol, 2-O-?-D-Glucopyranoside 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068747	16-Kaurene-2,15-diol, 2-O-?-D-Glucopyranoside 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068748	3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl) 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068749	3-Clerodene-7,15,16,18-tetrol, 15,16,18-Tri-Ac 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068750	3-Eudesmen-11-ol, O-(6-O-Tigloyl-?-D-glucopyranoside) 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068751	6,13-Epoxy-4(18)-eunicellene-3,8,9,12-tetrol, 12-Butanoyl, 3-Ac 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068752	6,13-Epoxy-4(18)-eunicellene-3,8,9,12-tetrol, 12-Butanoyl, 9-Ac 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068753	7,15-Isopimaradiene-3,19-diol, 19-O-?-D-Altropyranoside 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068754	Pregn-5-ene-3,14,20-triol, 20-O-?-D-Arabinopyranoside 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068755	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Methylbutanoyl) 	C26H42O7	466.293053	NA	MeJP	NA	NA
+MJ068756	5-(12-Cytisinylmethyl)-6-hydroxylupanine 	C27H38N4O3	466.294391	NA	MeJP	NA	NA
+MJ068757	1,12,18,29-Triacontatetrayne-3,14,17,28-tetrol, 14,17-Diketone 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068758	13(16),14-Labdadiene-8,19-diol; 8?-form, 19-(4-Methoxycinnamoyl)(E-) 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068759	16,23-Epoxy-3-oxolanosta-7,24-dien-26,23-olide 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068760	24-Hydroxy-3-oxocycloarta-1,11,25-trien-21-oic acid 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068761	3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 3,21-Diketone 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068762	3,21-Dioxo-9(11),12-oleanadien-28-oic acid 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068763	3-Hydroxy-12-oxo-13,15,17(20),22,24-malabaricapentaen-28-oic acid 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068764	6,16-Dihydroxy-3-oxoeupha-7,24-dien-21-oic acid, 6-Ketone, (21?16)-lactone 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068765	Aquaticenol 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068766	Dysonone B; 7-Ketone, 1,2-didehydro 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068767	Firmanolide 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068768	Isomariesiic acid C 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068769	Isoperdione 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068770	Mariesiic acid C 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068771	Mastigophorene A 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068772	Mastigophorene C 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068773	Mastigophorene D 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068774	Peradione 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068775	Pseudolarifuroic acid 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068776	Pseudolarolide A; 24,25-Didehydro 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068777	Salvadione A 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068778	Schisanlactone B 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068779	Taiwaniadduct A 	C30H42O4	466.308309	NA	MeJP	NA	NA
+MJ068780	Buterizine 	C31H38N4	466.309647	NA	MeJP	NA	NA
+HMDB00653	Cholesterol sulfate	C27H46O4S	466.311676	NA	HMDB2010	NA	NA
+HMDB00653	Cholesterol sulfate	C27H46O4S	466.31168	http://www.hmdb.ca/metabolites/HMDB00653	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00653	Cholesterol sulfate	C27H46O4S	466.31168	http://www.hmdb.ca/metabolites/HMDB00653	HMDB	NA	NA
+HMDB00653	Cholesterol sulfate	C27H46O4S	466.31168	http://www.hmdb.ca/metabolites/HMDB00653	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00653	Cholesterol sulfate	C27H46O4S	466.31168	HMDB00653	PFEM_hmdb_metabocards_official	NA	NA
+C18043	Cholesterol sulfate	C27H46O4S	466.3117	NA	KEGG	NA	NA
+CJpos0808	Glycocholic acid [M+H]+ (13C)	C25[13]CH44O6N	466.311875	C18rt(min)=8.43 Pos identified a,c	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0808	Glycocholic acid [M+H]+ (13C)	C25[13]CH44O6N	466.311875	C18rt(min)=8.43 Pos identified a,c	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0620	Glycocholic acid [M-H]- (13C)	C25[13]CH42O6N	466.312925	C18rt(min)=8.43 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0620	Glycocholic acid [M-H]- (13C)	C25[13]CH42O6N	466.312925	C18rt(min)=8.43 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ068781	2,3,14,22,25-Pentahydroxycholestan-6-one 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068782	2,3,7,12-Tetrahydroxycholestan-26-oic acid 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068783	28-Norbrassinolide 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068784	3,12,15,22-Tetrahydroxycholestan-26-oic acid 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068785	3,7,12,24-Tetrahydroxycholestan-26-oic acid 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068786	3,7,12,27-Tetrahydroxycholestan-26-oic acid 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068787	Cholest-22-ene-3,4,6,8,15,24-hexol 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068788	Cholest-22-ene-3,5,6,15,25,26-hexol 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068789	Cholest-24-ene-3,6,8,14,15,26-hexol 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068790	Cholest-7-ene-2,3,5,6,9,11-hexol 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068791	Cholestane-3,6,8,15,16,26-hexol, 22,23-Didehydro (E-) 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068792	Furostane-2,3,6,22,26-pentol 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068793	Tetrahydroxynorsterocholanic acid 	C27H46O6	466.329439	NA	MeJP	NA	NA
+MJ068794	Vitamin K epoxide 	C31H46O3	466.344695	NA	MeJP	NA	NA
+MJ068795	3-Hydroxy-24-methylene-7,9(11)-lanostadien-21-oic acid, 3-Ketone 	C31H46O3	466.344695	NA	MeJP	NA	NA
+MJ068796	3-Hydroxylanosta-7,9(11),24-trien-26,23-olide, Me ether 	C31H46O3	466.344695	NA	MeJP	NA	NA
+MJ068797	Disidein 	C31H46O3	466.344695	NA	MeJP	NA	NA
+MJ068798	Toxistylide B 	C31H46O3	466.344695	NA	MeJP	NA	NA
+MJ068799	Vitamin K1 epoxide 	C31H46O3	466.344695	NA	MeJP	NA	NA
+MetaCyc03651	vitamin K 2,3-epoxide [2,3-epoxyphylloquinone;2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone;]	C31H46O3	466.344695	NA	metacyc	NA	NA
+HMDB02972	Vitamin K1 2,3-epoxide	C31H46O3	466.344696	NA	HMDB2010	NA	NA
+HMDB02972	Vitamin K1 2,3-epoxide	C31H46O3	466.3447	http://www.hmdb.ca/metabolites/HMDB02972	HMDB	NA	NA
+C05849	Vitamin K1 epoxide	C31H46O3	466.3447	NA	KEGG	NA	NA
+C05850	Reduced Vitamin K	C11H9O2R	466.3447	NA	KEGG	NA	NA
+HMDB02972	Vitamin K1 2,3-epoxide	C31H46O3	466.3447	HMDB02972	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12082	LysoSM(d18:0)	C23H51N2O5P	466.353546	NA	HMDB2010	NA	NA
+MJ068800	3,20-Diaminopregnan-4-ol, N20,N20-Di-Me, N3-benzoyl 	C30H46N2O2	466.355928	NA	MeJP	NA	NA
+MJ068801	Crambescin C2 	C24H46N6O3	466.363139	NA	MeJP	NA	NA
+C15803	6alpha-Hydroxy-castasterone	C28H50O5	466.3658	NA	KEGG	NA	NA
+C15804	p-Hydroxyphenyl lignin	C28H50O5	466.3658	NA	KEGG	NA	NA
+C15805	Guaiacyl lignin	C28H50O5	466.3658	NA	KEGG	NA	NA
+C15806	Syringyl lignin	C28H50O5	466.3658	NA	KEGG	NA	NA
+C15807	5-Hydroxy-guaiacyl lignin	C28H50O5	466.3658	NA	KEGG	NA	NA
+MJ068802	3,5,7-Trioxooctacosanoic acid 	C28H50O5	466.365824	NA	MeJP	NA	NA
+MJ068803	Ergostane-2,3,6,22,23-pentol 	C28H50O5	466.365824	NA	MeJP	NA	NA
+MJ068804	Ergostane-3,5,6,25,26-pentol 	C28H50O5	466.365824	NA	MeJP	NA	NA
+MJ068805	Ergostane-3,5,6,7,15-pentol 	C28H50O5	466.365824	NA	MeJP	NA	NA
+MetaCyc03652	6&alpha;-hydroxy-castasterone [hydroxydeoxocastasterone;6&alpha;-hydroxy-6-deoxocastasterone;]	C28H50O5	466.365825	NA	metacyc	NA	NA
+MJ068806	11,13(18)-Oleanadien-3-ol, 3-Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068807	12,20(30)-Ursadien-3-ol, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068808	12,20(30)-Ursadien-7-ol; 7?-form, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068809	13(18),19,29-Ursadien-3-ol; 3?-form, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068810	13(18),20(29)-Lupadien-9-ol; 9?-form, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068811	5,12-Ursadien-3-ol, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068812	5,20(29)-Lupadien-3-ol, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068813	7,9(11)-Fernadien-20-ol; 20?-form, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068814	9(11),12-Oleanadien-3-ol, 3-Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068815	9(11),12-Ursadien-3-ol, Ac 	C32H50O2	466.38108	NA	MeJP	NA	NA
+MJ068816	Plakinamine A; 3-Epimer, 4?-hydroxy, N3-di-Me 	C31H50N2O	466.392314	NA	MeJP	NA	NA
+MJ068817	Saraine 1 	C31H50N2O	466.392314	NA	MeJP	NA	NA
+MJ068818	Sarothamnine 	C30H50N4	466.403547	NA	MeJP	NA	NA
+MJ068819	Arenosclerin A; Deoxy 	C32H54N2	466.428699	NA	MeJP	NA	NA
+MJ068820	11-Hydroxytriacontanoic acid; 11-Ketone 	C30H58O3	466.438595	NA	MeJP	NA	NA
+MJ068821	11-Hydroxytriacontanoic acid; Ketone 	C30H58O3	466.438595	NA	MeJP	NA	NA
+MJ068822	12-Hydroxy-4,7-triacontanedione 	C30H58O3	466.438595	NA	MeJP	NA	NA
+MJ068823	5-Oxooctadecanoic acid; Dodecyl ester 	C30H58O3	466.438595	NA	MeJP	NA	NA
+MJ068824	2,3,7,10,15,18,22,23-Octamethyl-6,19-dimethylene-1,10,14,23-tetracosatetraene 	C34H58	466.453851	NA	MeJP	NA	NA
+MJ068825	C34 Botryococcene 	C34H58	466.453851	NA	MeJP	NA	NA
+MJ068826	C34-Cyclobotryococcene 	C34H58	466.453851	NA	MeJP	NA	NA
+MJ068827	Budmunchiamine C; N9-De-Me 	C28H58N4O	466.461062	NA	MeJP	NA	NA
+MJ068828	10-Hydroxy-16-hentriacontanone 	C31H62O2	466.474981	NA	MeJP	NA	NA
+MJ068829	13-Hydroxy-16-hentriacontanone 	C31H62O2	466.474981	NA	MeJP	NA	NA
+MJ068830	29-Hydroxy-3,11-dimethyl-2-nonacosanone 	C31H62O2	466.474981	NA	MeJP	NA	NA
+MJ068831	8-Hydroxy-5-hentriacontanone 	C31H62O2	466.474981	NA	MeJP	NA	NA
+MJ068832	9-Hydroxy-3-hentriacontanone 	C31H62O2	466.474981	NA	MeJP	NA	NA
+MJ068833	Hentriacontanoic acid 	C31H62O2	466.474981	NA	MeJP	NA	NA
+MJ068834	1-Dotriacontanol 	C32H66O	466.511366	NA	MeJP	NA	NA
+MJ068835	1-Methoxy-2,18-dimethylnonacosane 	C32H66O	466.511366	NA	MeJP	NA	NA
+MJ068836	1-Methoxy-2,26-dimethylnonacosane 	C32H66O	466.511366	NA	MeJP	NA	NA
+MJ068837	1-Methoxy-28-methyltriacontane 	C32H66O	466.511366	NA	MeJP	NA	NA
+MJ068838	2-Dotriacontanol 	C32H66O	466.511366	NA	MeJP	NA	NA
+2604	tachykinin family from white shrimp Penaeus vannam	APSGFLGMR~	466.7362	MH2+	Inhouse_peptide	NA	peptide
+3362	NA	LKVGVKQY	466.775	MH2+	Inhouse_peptide	NA	peptide
+3668	NA	KKFDLRK	466.78095	MH2+	Inhouse_peptide	NA	peptide
+HMDB00998	dCTP	C9H16N3O13P3	466.98959	http://www.hmdb.ca/metabolites/HMDB00998	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00998	dCTP	C9H16N3O13P3	466.98959	http://www.hmdb.ca/metabolites/HMDB00998	HMDB	NA	NA
+HMDB00998	dCTP	C9H16N3O13P3	466.98959	http://www.hmdb.ca/metabolites/HMDB00998	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00998	dCTP	C9H16N3O13P3	466.98959	HMDB00998	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00998	dCTP	C9H16N3O13P3	466.989594	NA	HMDB2010	NA	NA
+MJ068839	dCTP 	C9H16N3O13P3	466.989597	NA	MeJP	NA	NA
+MetaCyc03653	dCTP [2'-deoxycytidine-5'-triphosphate;deoxycytidine-triphosphate;deoxy-CTP;]	C9H16N3O13P3	466.989597	2056-98-6	metacyc	NA	NA
+C00458	dCTP	C9H16N3O13P3	466.9896	NA	KEGG	NA	NA
+MJ068840	2-Hydroxyethyl glucosinolate; Benzoyl 	C16H21NO11S2	467.055601	NA	MeJP	NA	NA
+MJ068841	3-Hydroxy-5-(methylthio)pentyl glucosinolate; S-Oxide 	C13H25NO11S3	467.058972	NA	MeJP	NA	NA
+MJ068842	5-(Methylthio)pentyl glucosinolate; S,S-Dioxide 	C13H25NO11S3	467.058972	NA	MeJP	NA	NA
+MJ068843	N-[[5-[2-(2-Amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]-2-thienyl]carbonyl]glutamic acid 	C18H21N5O6S2	467.093324	NA	MeJP	NA	NA
+MJ068844	Etipirium(1+); Iodide 	C21H26INO3	467.095737	NA	MeJP	NA	NA
+PJ002043	CCNE 	C15H25N5O8S2	467.1145	NA	PeJP	NA	NA
+MJ068845	Bepafant 	C23H22ClN5O2S	467.118273	NA	MeJP	NA	NA
+PJ002044	GCCW 	C19H25N5O5S2	467.1297	NA	PeJP	NA	NA
+PJ002045	GSSCD 	C15H25N5O10S	467.1322	NA	PeJP	NA	NA
+MJ068846	Cloxacepride 	C22H27Cl2N3O4	467.137861	NA	MeJP	NA	NA
+MJ068847	(1,1-Cyclohexanedimethanamine-N,N')[ethylpropanedioato(2-)-O,O']platinum 	C13H24N2O4Pt	467.138381	NA	MeJP	NA	NA
+MJ068848	Antibiotic K 252b; Me ester 	C27H21N3O5	467.14812	NA	MeJP	NA	NA
+PJ002046	SCQM 	C16H29N5O7S2	467.1509	NA	PeJP	NA	NA
+PJ002047	SCCR 	C15H29N7O6S2	467.1621	NA	PeJP	NA	NA
+PJ002048	GNDY 	C19H25N5O9	467.1652	NA	PeJP	NA	NA
+PJ002049	GGGDY 	C19H25N5O9	467.1653	NA	PeJP	NA	NA
+PJ002050	GSSSM 	C16H29N5O9S	467.1686	NA	PeJP	NA	NA
+PJ002051	GNMF 	C20H29N5O6S	467.1839	NA	PeJP	NA	NA
+PJ002052	SSSST 	C16H29N5O11	467.1864	NA	PeJP	NA	NA
+PJ002053	SCKM 	C17H33N5O6S2	467.1872	NA	PeJP	NA	NA
+MJ068849	Edatrexate 	C22H25N7O5	467.191716	NA	MeJP	NA	NA
+PJ002054	GTQY 	C20H29N5O8	467.2016	NA	PeJP	NA	NA
+MJ068850	Distamycin A; N1'-De-Me 	C21H25N9O4	467.20295	NA	MeJP	NA	NA
+PJ002055	SPQH 	C19H29N7O7	467.2129	NA	PeJP	NA	NA
+PJ002056	ACKF 	C21H33N5O5S	467.2203	NA	PeJP	NA	NA
+3268	NA	TAQVTSTEV	467.223	MH2+	Inhouse_peptide	NA	peptide
+MJ068851	Penigequinolone A 	C27H33NO6	467.230787	NA	MeJP	NA	NA
+MJ068852	Trideacetylpyripyropene A; 11-Epimer, 7,19-dideoxy,3-Ac 	C27H33NO6	467.230787	NA	MeJP	NA	NA
+MJ068853	Trideacetylpyripyropene A; 7,19-Dideoxy, 3-Ac 	C27H33NO6	467.230787	NA	MeJP	NA	NA
+3334	human beta-casein fr, 54-61	QTQSLVYP	467.231	MH2+	Inhouse_peptide	NA	peptide
+7771	PKC inhibitor	HKPS	467.236	antioxidative	Inhouse_peptide	NA	peptide
+7809	ACE inhibitor from porcine plasma	GVHGV	467.236	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002057	GTKY 	C21H33N5O7	467.238	NA	PeJP	NA	NA
+PJ002058	SPKH 	C20H33N7O6	467.2493	NA	PeJP	NA	NA
+MJ068854	Browniine; N-De-Et, N-formyl 	C24H37NO8	467.251917	NA	MeJP	NA	NA
+MJ068855	Lycoctonine; N-De-Et, N-formyl 	C24H37NO8	467.251917	NA	MeJP	NA	NA
+C00397	Tobramycin	C18H37N5O9	467.2591	NA	KEGG	NA	NA
+MJ068856	Nebmycin T 	C18H37N5O9	467.259127	NA	MeJP	NA	NA
+MJ068857	Tobramycin 	C18H37N5O9	467.259127	NA	MeJP	NA	NA
+8065	synthetic peptide	RHR	467.26	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002059	GVHR 	C19H33N9O5	467.2605	NA	PeJP	NA	NA
+CJneg0621	Androsterone glucuronide [(M-H)]- (13C)	C2413CH37O8	467.260525	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0621	Androsterone glucuronide [(M-H)]- (13C)	C2413CH37O8	467.260525	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ068858	18-Hydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6,13,19-triene-1,21-dione; 19,20-Dihydro, 19?-hydroxy, 6?,7?-epoxide 	C28H37NO5	467.267173	NA	MeJP	NA	NA
+MJ068859	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione 	C28H37NO5	467.267173	NA	MeJP	NA	NA
+MJ068860	Lythranidine, O11-Ac 	C28H37NO5	467.267173	NA	MeJP	NA	NA
+PJ002060	HRR 	C18H33N11O4	467.2717	NA	PeJP	NA	NA
+PJ002061	AAPPL 	C22H37N5O6	467.2744	NA	PeJP	NA	NA
+MJ068861	Malyngamide L 	C26H42ClNO4	467.280236	NA	MeJP	NA	NA
+PJ002062	PPVR 	C21H37N7O5	467.2856	NA	PeJP	NA	NA
+C08665	Browniine	C25H41NO7	467.2883	NA	KEGG	NA	NA
+C08678	Delsoline	C25H41NO7	467.2883	NA	KEGG	NA	NA
+C08697	Lycoctonine	C25H41NO7	467.2883	NA	KEGG	NA	NA
+MJ068862	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068863	Browniine 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068864	Delphatine; O16-De-Me 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068865	Delphatine; O6-De-Me 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068866	Delsoline 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068867	Deltatsine 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068868	Delterine 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068869	Lycoctonine 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068870	Pubescenine; O14-De-Ac, O14-Me 	C25H41NO7	467.288302	NA	MeJP	NA	NA
+MJ068871	Spermacoceine 	C31H37N3O	467.293662	NA	MeJP	NA	NA
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR563	LysoPC(14:0)	[M+H]+	467.301175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR563	LysoPC(14:0)	[M+H]+	467.301175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR563	LysoPC(14:0)	[M+H]+	467.301175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR563	LysoPC(14:0)	NA	467.301175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR563	LysoPC(14:0)	[M+H]+	467.301175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR563	LysoPC(14:0)	NA	467.301175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10379	LysoPC(14:0)	C22H46NO7P	467.301178	NA	HMDB2010	NA	NA
+HMDB00724	L-a-Lysophosphatidylcholine	C22H46NO7P	467.30118	http://www.hmdb.ca/metabolites/HMDB00724	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00724	L-a-Lysophosphatidylcholine	C22H46NO7P	467.30118	http://www.hmdb.ca/metabolites/HMDB00724	HMDB	NA	NA
+HMDB00724	L-a-Lysophosphatidylcholine	C22H46NO7P	467.30118	http://www.hmdb.ca/metabolites/HMDB00724	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00724	L-a-Lysophosphatidylcholine	C22H46NO7P	467.30118	HMDB00724	PFEM_hmdb_metabocards_official	NA	NA
+EUR674	Lyso PC 14:0 monoisotopic mass 	C22H46NO7P	467.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR701	Lyso PE (18:0) [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR736	Lyso PC 15:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR836	Lyso PE 18:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR674	Lyso PC 14:0 monoisotopic mass 	C22H46NO7P	467.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR701	Lyso PE (18:0) [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR736	Lyso PC 15:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR836	Lyso PE 18:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR674	Lyso PC 14:0 monoisotopic mass 	C22H46NO7P	467.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR701	Lyso PE (18:0) [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR736	Lyso PC 15:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR836	Lyso PE 18:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR674	Lyso PC 14:0 monoisotopic mass 	C22H46NO7P	467.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR701	Lyso PE (18:0) [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR736	Lyso PC 15:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR836	Lyso PE 18:0 [M-H-CH3]-	C23H48NO7P	467.301192	masses lipides attendues	Inhousejuil11	NA	NA
+MJ068872	Buprenorphine 	C29H41NO4	467.303558	NA	MeJP	NA	NA
+MJ068873	Jervine; O-Ac 	C29H41NO4	467.303558	NA	MeJP	NA	NA
+MJ068874	Petisidinine; 3-Ac 	C29H41NO4	467.303558	NA	MeJP	NA	NA
+C08007	Buprenorphine	C29H41NO4	467.3036	NA	KEGG	NA	NA
+C08008	Transferred to D00836	C29H41NO4	467.3036	NA	KEGG	NA	NA
+C08009	Transferred to D00837	C29H41NO4	467.3036	NA	KEGG	NA	NA
+MJ068875	Oxetacaine 	C28H41N3O3	467.314792	NA	MeJP	NA	NA
+MJ068876	Tiropramide 	C28H41N3O3	467.314792	NA	MeJP	NA	NA
+C12552	Oxethazaine	C28H41N3O3	467.3148	NA	KEGG	NA	NA
+C12553	Transferred to D01153	C28H41N3O3	467.3148	NA	KEGG	NA	NA
+MJ068877	Asmarine C; 5-Epimer, N10'-methoxy 	C27H41N5O2	467.326025	NA	MeJP	NA	NA
+MJ068878	Asmarine C; N10'-Methoxy 	C27H41N5O2	467.326025	NA	MeJP	NA	NA
+MJ068879	Cytosine arabinoside; ?-D-Furanose-form, N4-Hexadecyl 	C25H45N3O5	467.335921	NA	MeJP	NA	NA
+MJ068880	Panclicins; Panclicin E 	C27H49NO5	467.361073	NA	MeJP	NA	NA
+MJ068881	Alkaloid LO2 	C30H49N3O	467.387563	NA	MeJP	NA	NA
+MJ068882	Alkaloid LS14 	C30H49N3O	467.387563	NA	MeJP	NA	NA
+MJ068883	Lucidine B 	C30H49N3O	467.387563	NA	MeJP	NA	NA
+C09869	Lucidine B	C30H49N3O	467.3876	NA	KEGG	NA	NA
+MJ068884	Furidarone 	C13H10I2O3	467.871931	NA	MeJP	NA	NA
+MJ068885	Rhodomelol; 3-Me ether 	C14H14Br2O8	467.905542	NA	MeJP	NA	NA
+HMDB01191	Deoxyuridine triphosphate	C9H15N2O14P3	467.9736	http://www.hmdb.ca/metabolites/HMDB01191	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01191	Deoxyuridine triphosphate	C9H15N2O14P3	467.9736	http://www.hmdb.ca/metabolites/HMDB01191	HMDB	NA	NA
+C00460	dUTP	C9H15N2O14P3	467.9736	NA	KEGG	NA	NA
+C00461	Chitin	C9H15N2O14P3	467.9736	NA	KEGG	NA	NA
+C00462	Halide	HX	467.9736	NA	KEGG	NA	NA
+HMDB01191	Deoxyuridine triphosphate	C9H15N2O14P3	467.9736	http://www.hmdb.ca/metabolites/HMDB01191	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01191	Deoxyuridine triphosphate	C9H15N2O14P3	467.9736	HMDB01191	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01191	Deoxyuridine triphosphate	C9H15N2O14P3	467.973602	NA	HMDB2010	NA	NA
+MJ068886	dUTP 	C9H15N2O14P3	467.973612	NA	MeJP	NA	NA
+MetaCyc03654	dUTP [deoxy-UTP;2'-deoxyuridine-5'-triphosphate;deoxyuridine-triphosphate;]	C9H15N2O14P3	467.973613	1173-82-6	metacyc	NA	NA
+MJ068887	Dibrompropamidine 	C17H18Br2N4O2	467.979651	NA	MeJP	NA	NA
+MJ068888	4,19-Dibromo-3-ethyl-2,20-dioxabicyclo[14.3.1]eicosa-1(19),6,9,16-tetraen-12-yn-18-one 	C20H22Br2O3	467.993569	NA	MeJP	NA	NA
+HMDB06810	1-Phosphatidyl-1D-myo-inositol 4-phosphate	C11H18O16P2	468.00702	http://www.hmdb.ca/metabolites/HMDB06810	HMDB	NA	NA
+HMDB06810	1-Phosphatidyl-1D-myo-inositol 4-phosphate	C11H18O16P2	468.00702	HMDB06810	PFEM_hmdb_metabocards_official	NA	NA
+MJ068889	Adamexine 	C20H26Br2N2O	468.041188	NA	MeJP	NA	NA
+MJ068890	Prazocillin 	C19H18Cl2N4O4S	468.042581	NA	MeJP	NA	NA
+MJ068891	Alnicortol; 3-Ketone 	C19H16O14	468.054005	NA	MeJP	NA	NA
+MetaCyc03655	2-(&alpha;-hydroxyethyl)-ThPP [2-(&alpha;-hydroxyethyl)-TPP;]	C14H22N4O8P2S1	468.063357	NA	metacyc	NA	NA
+MJ068892	Cromoglicic acid 	C23H16O11	468.069261	NA	MeJP	NA	NA
+C06928	Cromolyn	C23H16O11	468.0693	NA	KEGG	NA	NA
+C06929	Transferred to D00286	C23H16O11	468.0693	NA	KEGG	NA	NA
+MJ068893	Falconensin A; 4''-O-De-Me 	C22H22Cl2O7	468.074258	NA	MeJP	NA	NA
+MJ068894	1,5-Anhydroglucitol, 2,6-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068895	2,5-Dihydroxybenzoic acid; 5-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068896	3,4,5-Trihydroxybenzaldehyde; 3-O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068897	3,4,5-Trihydroxybenzaldehyde; 4-O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068898	proto-Quercitol, 1,4-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068899	proto-Quercitol, 3,5-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068900	proto-Quercitol, 4,5-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MJ068901	scyllo-Quercitol; 1,2-Bis-O-(3,4,5-trihydroxybenzoyl) 	C20H20O13	468.09039	NA	MeJP	NA	NA
+MetaCyc03656	D-Alanyl-alanyl-poly(glycerolphosphate) []	C12H26N2O13P2	468.091012	NA	metacyc	NA	NA
+MJ068902	Murayaanthraquinone 	C26H16N2O7	468.09575	NA	MeJP	NA	NA
+PJ002063	CCDE 	C15H24N4O9S2	468.0985	NA	PeJP	NA	NA
+FL63AGNN0003	Epigallocatechin 3-O-caffeate	C24H20O10	468.10564	122412-14-0	knapsack	NA	NA
+FL63AGNN0004	Apocynin A;(2R,3S,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one	C24H20O10	468.10564	246152-21-6	knapsack	NA	NA
+FL63AGNN0005	Apocynin C;(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one	C24H20O10	468.10564	246152-23-8	knapsack	NA	NA
+MJ068903	4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid; Shikim-5-yl ester 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068904	6-[[3,5-Dihydroxy-2-[[1,2,3,4-tetrahydro-2,5,7-trihydroxy-2-methyl-4-oxo-1-naphthalenyl]carbonyl]phenyl]methyl]-4-hydroxy-2H-pyran-2-one 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068905	7,7'-Dihydroxy-8,8'-bicoumarin; O-?-L-Rhamnopyranoside 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068906	Cadensin G 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068907	Cinchonain Ia; 3,10-Diepimer, 5'-hydroxy 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068908	Cinchonain Ia; 3-Epimer, 5'-hydroxy 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068909	Cinchonain Ia; 5'-Hydroxy 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068910	Cinchonain Ic; 3-Epimer, 5'-hydroxy 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068911	Gyrophoric acid 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068912	[p-Terphenyl]-2',3,3',4,4'',5',6'-heptol; 2',3',4-Tri-Ac 	C24H20O10	468.105646	NA	MeJP	NA	NA
+MJ068913	Simfibrate 	C23H26Cl2O6	468.110643	NA	MeJP	NA	NA
+MJ068914	Kinamycin F; 4-Propanoyl, 2-Ac 	C23H20N2O9	468.11688	NA	MeJP	NA	NA
+MJ068915	18-Chloro-15,16-epoxy-4,7,19-trihydroxy-3,6-dioxo-13(16),14-clerodadien-20,12-olide, 19-Ac 	C22H25ClO9	468.11871	NA	MeJP	NA	NA
+MJ068916	Ampelopsin A, 7-Epimer, 7',8'-didehydro 	C28H20O7	468.120902	NA	MeJP	NA	NA
+MJ068917	?-Viniferin, 2''-Hydroxy, 7',8'-didehydro 	C28H20O7	468.120902	NA	MeJP	NA	NA
+FL6DACGS0001	Catechin-4-ol 3-O-beta-D-galactopyranoside	C21H24O12	468.12677	102130-02-9	knapsack	NA	NA
+FL6DACGS0002	Catechin-4-ol 3-O-beta-D-glycopyranoside	C21H24O12	468.12677	60924-72-3	knapsack	NA	NA
+FL6DAGGS0002	Leucodelphinidin 3-O-alpha-L-rhamnopyranoside	C21H24O12	468.12677	76532-04-2	knapsack	NA	NA
+MJ068918	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068919	2-(3,4-Dihydroxyphenyl)ethanol; 3'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068920	2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068921	3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-?-L-Rhamnopyranoside 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068922	3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-D-Glucopyranoside 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068923	3,3',4,4',5,7-Hexahydroxyflavan, 3-O-?-D-Galactopyranoside 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068924	3,3a,7,7a-Tetrahydro-6-hydroxy-2(6H)-benzofuranone, O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068925	Aquilegiolide; 6-Epimer, 4,5-dihydro, O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068926	Coatline A; 3''-Hydroxy 	C21H24O12	468.126776	NA	MeJP	NA	NA
+MJ068927	2,2'-[2-Butene-1,4-diylbis(oxy-4,1-phenylenemethylene)]bis-1,2,4-oxadiazoline-3,5-dione 	C22H20N4O8	468.128113	NA	MeJP	NA	NA
+PJ002064	SCEM 	C16H28N4O8S2	468.1349	NA	PeJP	NA	NA
+MJ068928	Polycarpine 	C22H24N6O2S2	468.140215	NA	MeJP	NA	NA
+C12403	104-1	C25H24O9	468.142	NA	KEGG	NA	NA
+C12407	104-2	C25H24O9	468.142	NA	KEGG	NA	NA
+MJ068929	1,10,12-Trihydroxy-8-methyl-6H-benzo[d]naphtho-[1,2-b]-pyran-6-one; 10-Me ether, 12-O-?-L-rhamnopyranoside 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068930	1-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 4,7-Dibenzoyl, 2,3-di-Ac 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068931	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',4-Dibenzoyl, 1,3-di-Ac 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068932	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 3,4-Dibenzoyl, 1,1'-di-Ac 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068933	Antibiotic BA 12100MY1 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068934	Antibiotic TAN 1085 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068935	Atramycin A 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068936	Silydianin; 3-Deoxy 	C25H24O9	468.142032	NA	MeJP	NA	NA
+MJ068937	2-[5-(1,6-Dioxaspiro[4.5]dec-3-en-2-ylidenemethyl)-2-thienyl]-2,5-dihydro-5-(2-thienylmethylene)-2-furanbutanol 	C26H28O4S2	468.1429	NA	MeJP	NA	NA
+PJ002065	GDDY 	C19H24N4O10	468.1493	NA	PeJP	NA	NA
+PJ002066	PCCF 	C20H28N4O5S2	468.1501	NA	PeJP	NA	NA
+PJ002067	GMMM 	C17H32N4O5S3	468.1535	NA	PeJP	NA	NA
+MJ068938	Chaetoviridin D 	C23H29ClO8	468.155095	NA	MeJP	NA	NA
+FL2FA9NC0005	Dichamanetin	C29H24O6	468.15728	58779-09-2	knapsack	NA	NA
+MJ068939	Dichamanetin 	C29H24O6	468.157288	NA	MeJP	NA	NA
+MJ068940	Marchantinquinone; 11-Methoxy 	C29H24O6	468.157288	NA	MeJP	NA	NA
+MJ068941	Ajugol; 6-O-(4-Hydroxybenzoyl) 	C22H28O11	468.163161	NA	MeJP	NA	NA
+MJ068942	Angelicain, 4-Me ether, 1''-O-?-D-glucopyranoside 	C22H28O11	468.163161	NA	MeJP	NA	NA
+MJ068943	Harpagide; 8-O-Benzoyl 	C22H28O11	468.163161	NA	MeJP	NA	NA
+PJ002068	SPCY 	C20H28N4O7S	468.1679	NA	PeJP	NA	NA
+PJ002069	STMM 	C17H32N4O7S2	468.1713	NA	PeJP	NA	NA
+FL3FRNNR0003	Artoindonesianin B;(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one	C26H28O8	468.17841	223386-74-1	knapsack	NA	NA
+MJ068944	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether, 8-O-angeloyl 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068945	3,4,4',5',9'-Pentahydroxy-8,2'-neoligna-7',8-diene, 3,4'-Di-Me ether, tri-Ac 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068946	3,4,4',5',9'-Pentahydroxy-8,2'-neoligna-7,7'-diene, 3,4'-Di-Me ether, tri-Ac 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068947	Chaplashin; 11-Hydroperoxide 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068948	Cycloepiatalantin 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068949	Dukunolide D 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068950	Erythbigenol A 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068951	Erythbigenone A 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068952	Jangomolide 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068953	Najamxanthone 	C26H28O8	468.178417	NA	MeJP	NA	NA
+MJ068954	Staurosporine; 11-Hydroxy, 4'-N-de-Me 	C27H24N4O4	468.179755	NA	MeJP	NA	NA
+MJ068955	Staurosporine; 3-Hydroxy, O-de-Me 	C27H24N4O4	468.179755	NA	MeJP	NA	NA
+MJ068956	Staurosporine; 4'-N-Hydroxy, O-de-Me 	C27H24N4O4	468.179755	NA	MeJP	NA	NA
+MJ068957	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-Sulfate 	C23H32O8S	468.181788	NA	MeJP	NA	NA
+C11273	Acriflavine	C14H14N3	468.1829	NA	KEGG	NA	NA
+PJ002070	GTEY 	C20H28N4O9	468.1856	NA	PeJP	NA	NA
+MJ068958	Adenopterin 	C21H24N8O5	468.186965	NA	MeJP	NA	NA
+MJ068959	Mappicine, O-?-D-Glucopyranoside 	C25H28N2O7	468.189651	NA	MeJP	NA	NA
+PJ002071	SPEH 	C19H28N6O8	468.1969	NA	PeJP	NA	NA
+C09525	Paucin	C23H32O10	468.1995	NA	KEGG	NA	NA
+MJ068960	1,2-Dihydroxy-4(15),11(13)-eudesmadien-12,8-olide, 2-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H32O10	468.199547	NA	MeJP	NA	NA
+MJ068961	2,4-Dihydroxy-11(13)-pseudoguaien-12,8-olide, 4-Ketone, 2-(6-O-acetyl-?-D-glucopyranoside) 	C23H32O10	468.199547	NA	MeJP	NA	NA
+MJ068962	Lamifiban 	C24H28N4O6	468.200884	NA	MeJP	NA	NA
+PJ002072	TYW 	C24H28N4O6	468.2009	NA	PeJP	NA	NA
+PJ002073	GVMY 	C21H32N4O6S	468.2043	NA	PeJP	NA	NA
+MJ068963	Asterriquinol D; 2'-(1,1-Dimethyl-2-propenyl) 	C29H28N2O4	468.204907	NA	MeJP	NA	NA
+MJ068964	Ochrindole A; 10-Hydroxy 	C29H28N2O4	468.204907	NA	MeJP	NA	NA
+PJ002074	GQQH 	C18H28N8O7	468.2081	NA	PeJP	NA	NA
+FL2FALNI0023	Exiguaflavanone E	C27H32O7	468.2148	149725-18-8	knapsack	NA	NA
+FLIAAFNP0001	1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone	C27H32O7	468.2148	78876-31-0	knapsack	NA	NA
+FLIAALNP0011	1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone	C27H32O7	468.2148	78876-32-1	knapsack	NA	NA
+MJ068965	2',4',5,5',7-Pentahydroxy-8-lavandulylflavanone, 5',7-Di-Me ether 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068966	20-Prenylitalipyrone 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068967	7-(2,4-Dimethoxyphenyl)-3,4-dihydro-5-hydroxy-10-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068968	7-(3,4-Dimethoxyphenyl)-3,4-dihydro-5-hydroxy-10-(3-hydroxy-3-methylbutyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,6-b']dipyran-6-one 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068969	Andirobin 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068970	Carapin 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068971	Decarboxyalectoronic acid 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068972	Furfuraceic acid 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068973	Garvalone A 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068974	Haemophaein 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068975	Mexicanolide 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068976	Nimbin; 28-Aldehyde, O-de-Ac 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068977	Nimbolide; 2,3-Dihydro 	C27H32O7	468.214803	NA	MeJP	NA	NA
+MJ068978	Rubschisandrin, 3'-O-De-Me, 3'-O-angeloyl 	C27H32O7	468.214803	NA	MeJP	NA	NA
+PJ002075	MRY 	C20H32N6O5S	468.2155	NA	PeJP	NA	NA
+MJ068979	9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione 	C28H28N4O3	468.21614	NA	MeJP	NA	NA
+2874	opioid fragment of dermorphin	YIFHLMN	468.22015	MH2+	Inhouse_peptide	NA	peptide
+PJ002076	SSLY 	C21H32N4O8	468.222	NA	PeJP	NA	NA
+MJ068980	Lomerizine 	C27H30F2N2O3	468.222449	NA	MeJP	NA	NA
+MJ068981	Dihydrocorymine; 3-Epimer, di-Ac 	C26H32N2O6	468.226036	NA	MeJP	NA	NA
+MJ068982	Strychnosilidine; 19,20-Dihydro, 18,19,20,21-tetradehydro 	C26H32N2O6	468.226036	NA	MeJP	NA	NA
+MJ068983	Rofleponide 	C25H34F2O6	468.232345	NA	MeJP	NA	NA
+PJ002077	ALEH 	C20H32N6O7	468.2333	NA	PeJP	NA	NA
+MJ068984	2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 6-(2-Methylbutanoyl), 9-(2-methylpropanoyl) 	C24H36O9	468.235932	NA	MeJP	NA	NA
+MJ068985	3,4,11-Trihydroxy-6-eudesmen-8-one, 3-(2-Acetoxy-3-hydroxy-2-methylbutanoyl), 4-Ac 	C24H36O9	468.235932	NA	MeJP	NA	NA
+MJ068986	5,6,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,8-olide, 9-(2-Methylbutanoyl), 5-(2-methylpropanoyl) 	C24H36O9	468.235932	NA	MeJP	NA	NA
+MJ068987	7,20-Epoxy-1,6,7,15,16,17-kauranehexol, 6,17-Di-Ac 	C24H36O9	468.235932	NA	MeJP	NA	NA
+MJ068988	7,20-Epoxy-6,7,14,15,16,17-kauranehexol, 6,17-Di-Ac 	C24H36O9	468.235932	NA	MeJP	NA	NA
+PJ002078	GVFF 	C25H32N4O5	468.2373	NA	PeJP	NA	NA
+C01917	Gentamicin A	C18H36N4O10	468.2431	NA	KEGG	NA	NA
+C01918	Gentamicin C	C19H37N5O7	468.2431	NA	KEGG	NA	NA
+MJ068989	Gentamicin A 	C18H36N4O10	468.243143	NA	MeJP	NA	NA
+MJ068990	Kanamycin A; 5-Deoxy 	C18H36N4O10	468.243143	NA	MeJP	NA	NA
+MJ068991	Kanamycin C; 3'-Deoxy 	C18H36N4O10	468.243143	NA	MeJP	NA	NA
+MJ068992	Nebramycin factor 3; 3'-Deoxy 	C18H36N4O10	468.243143	NA	MeJP	NA	NA
+PJ002079	GQKH 	C19H32N8O6	468.2445	NA	PeJP	NA	NA
+PJ002080	FFR 	C24H32N6O4	468.2485	NA	PeJP	NA	NA
+MJ068993	14,15-Epoxy-17,20-dihydroxy-1-oxowitha-3,5,24-trienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ068994	14,20-Epoxy-17,27-dihydroxy-1-oxowitha-2,5,24-trienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ068995	14,20-Epoxy-17,27-dihydroxy-1-oxowitha-3,5,24-trienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ068996	14,22:22,25-Diepoxy-9,23-dihydroxyergosta-4,7,11-triene-3,6-dione 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ068997	16,17-Epoxy-8,11-dihydroxy-1-oxowitha-2,5,24-trienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ068998	18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ068999	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Benzoyl 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069000	4a,6-Dihydroxy-A-homoazadirone 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069001	5,6-Epoxy-4,20-dihydroxy-1-oxowith-24-enolide, 2,3-Didehydro, 4-ketone 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069002	5,6-Epoxy-7-hydroxy-1,12-dioxowitha-2,24-dienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069003	6,15,17-Trihydroxy-3-cleroden-18-oic acid, 15-Carboxylic acid, 18?6 lactone, 17-phenylacetyl 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069004	6,7-Epoxy-5,16-dihydroxy-1-oxowitha-2,17(20),24-trienolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069005	7,12-Dihydroxymeliac-1-ene-3,15-dione, 12-Ac 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069006	Azadirone; 6?-Hydroxy, 14?,15?-epoxide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069007	Azadironolide 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069008	Clinofibrate 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069009	Jaborol 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069010	Jaborosalactone P 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069011	Salpichrolide C 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069012	Salpichrolide D 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069013	Salpichrolide H 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069014	Withanicandrin 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069015	Withanolide M 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069016	Withaphysalin B 	C28H36O6	468.251188	NA	MeJP	NA	NA
+MJ069017	Usambarensine; 6',10-Dihydroxy, 1'S,2,3,4-tetrahydro 	C29H32N4O2	468.252526	NA	MeJP	NA	NA
+CJneg0622	Androsterone glucuronide [(M-H)]- (18O)	C25H37O718O	468.261425	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0622	Androsterone glucuronide [(M-H)]- (18O)	C25H37O718O	468.261425	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002081	SLLH 	C21H36N6O6	468.2697	NA	PeJP	NA	NA
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.2723	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.2723	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.2723	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.2723	Wishlist	Inhousejuil11	NA	NA
+HMDB10321	3,17-Androstanediol glucuronide	C25H40O8	468.272308	NA	HMDB2010	NA	NA
+HMDB10339	3-alpha-androstanediol glucuronide	C25H40O8	468.272308	NA	HMDB2010	NA	NA
+HMDB10359	17-hydroxyandrostane-3-glucuronide	C25H40O8	468.272308	NA	HMDB2010	NA	NA
+MJ069018	8,13-Labdadiene-6,15,17,19-tetrol, 17-Aldehyde, 6-O-?-L-arabinopyranoside 	C25H40O8	468.272318	NA	MeJP	NA	NA
+MJ069019	9,11,15,18-Tetrahydroxyprosta-5,13-dienoic acid, 11,18-Di-Ac, Me ester 	C25H40O8	468.272318	NA	MeJP	NA	NA
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	HMDB	NA	NA
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	Inhouse_PFEM	NA	NA
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR088	3?-AndrostanediolGlucuronide	C25H40O8	468.27232	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+PJ002082	GKKH 	C20H36N8O5	468.2809	NA	PeJP	NA	NA
+MJ069020	13(16),14-Labdadiene-7,8,19-triol, 19-(4-Hydroxycinnamoyl)(E-) 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069021	13(16),14-Labdadiene-7,8,19-triol, 19-(4-Hydroxycinnamoyl)(Z-) 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069022	15-Isopimarene-8,11,12-triol, 12-(4-Hydroxycinnamoyl) 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069023	16,17-Kauranediol, 17-(3,4-Dihydroxycinnamoyl)(E-) 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069024	17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069025	2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 12'-Oxo, 5'-Ac 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069026	7-Hydroxy-4-methyl-3,11-dioxoergosta-8,14,24(28)-trien-26-oic acid 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069027	7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, 7-Ketone 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069028	7-Labdene-3,15-diol, 15-Carboxylic acid, 3-(4-hydroxycinnamoyl)(E-) 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069029	Cabraleahydroxylactone; 12?-Acetoxy, 1,2,22,23-tetradehydro, 3-ketone 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069030	Daldinin A; Daldinin A4 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069031	Datumelin 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069032	Datumetelin 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069033	Daturametelin C 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069034	Daturametelin D 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069035	Kiheisterone A 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069036	Kiheisterone B 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069037	Pfaffic acid; 11-Oxo, 3-ketone, 7?-hydroxy 	C29H40O5	468.287574	NA	MeJP	NA	NA
+MJ069038	Usambarine; 10-Hydroxy, 18,19-dihydro 	C30H36N4O	468.288911	NA	MeJP	NA	NA
+MJ069039	Usambarine; 11-Hydroxy, 18,19-dihydro 	C30H36N4O	468.288911	NA	MeJP	NA	NA
+MJ069040	Quercitrin; O''-[?-D-Glucopyranosyl-(1?4)-D-galactopyranosyl] 	C33H40O2	468.30283	NA	MeJP	NA	NA
+PJ002083	PPKK 	C22H40N6O5	468.306	NA	PeJP	NA	NA
+MJ069041	16,19-Kauranediol, 19-O-?-D-Glucopyranoside 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069042	2,16-Kauranediol, 2-O-?-D-Glucopyranoside 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069043	2,3,4,6,11,19-Hexahydroxy-24-nor-9,11-secocholest-22-en-9-one 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069044	24-Methyl-26,27-dinor-22-cholestene-3,4,6,8,15,16,25-heptol 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069045	3,14-Clerodadiene-6,13-diol, 6-O-?-D-Glucopyranoside 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069046	3-Eudesmen-11-ol, O-[6-O-(3-Methylbutanoyl)-?-D-glucopyranoside] 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069047	8(17),13-Labdadiene-6,15,18-triol, 18-O-?-L-Rhamnopyranoside 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069048	8,13-Epoxy-14-labden-19-ol, 19-O-?-D-Glucopyranoside 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069049	Stemodin; 16-O-?-D-Glucopyranoside 	C26H44O7	468.308703	NA	MeJP	NA	NA
+MJ069050	11,13(18)-Oleanadiene-3,16,21,28-tetrol, 28-Carboxylic acid, 28?21 lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069051	12,16-Dihydroxy-3-oxoeupha-7,24-dien-21-oic acid, (21?16)-Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069052	12-Hydroxy-3-oxocycloarta-1,24-dien-21-oic acid; 12?-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069053	15-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid; 15?-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069054	16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid; 16?-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069055	21,23-Epoxycycloart-24-ene-3,21,22-triol, 21-Ketone (lactone), 3-ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069056	23-Hydroxy-3-oxolanosta-8,24-dien-26,23-olide; 23?-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069057	26,27-Dihydroxylanosta-7,9(11),24-triene-3,16-dione 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069058	28-Hydroxy-3-oxo-20(30)-lupen-29,21-olide; 21?-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069059	3,13-Dihydroxy-11-oleanen-28-oic acid; 3?-form, 3-Ketone, 28?13 lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069060	3,16-Dihydroxylanosta-8,24-dien-21-oic acid, 3,16-Diketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069061	3,18-Dihydroxy-11-oxo-12-oleanen-29-oic acid, 29?18 lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069062	3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069063	3,21,22-Trihydroxy-11,13(18)-oleanadien-28-oic acid, 28?22 Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069064	3,21,30-Trihydroxy-11,13(18)-pachanadien-28-oic acid, 28?21 Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069065	3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 21-Ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069066	3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid, 3-Ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069067	3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 21-Ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069068	3,22,24-Trihydroxy-11,13(18)-oleanadien-30-oic acid, 30?22 Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069069	3,22-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?22 Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069070	3,23-Dioxolanosta-7,24-dien-26-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069071	3,23-Dioxolanosta-8,24-dien-26-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069072	3,24-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone, 24-aldehyde 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069073	3,25-Dihydroxy-12-oleanen-30-oic acid, 3-Ketone, 25-aldehyde 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069074	3,25-Dihydroxy-18-oleanen-30-oic acid, 3-Ketone, 25-aldehyde 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069075	3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form, 3-Ketone, 29-aldehyde 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069076	3,30-Dihydroxy-12,14-pachanadien-28,21-olide 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069077	3,4-Secocycloarta-4(28),24-dien-26,22-olid-3-oic acid; 22R-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069078	3,4-Secocycloarta-4(28),6,24-triene-3,26-dioic acid; 24Z-form 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069079	3,7-Dihydroxy-12-oleanen-28-oic acid, 3,7-Diketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069080	3,7-Dihydroxylanosta-8,24-dien-26-oic acid, 3,7-Diketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069081	3-Hydroxy-1-oxo-11,13(18)-oleanadien-28-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069082	3-Hydroxy-16-oxo-11,13(18)-oleanadien-30-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069083	3-Hydroxy-16-oxolanosta-7,9(11),24-trien-21-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069084	3-Hydroxy-22-oxo-11,13(18)-oleanadien-29-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069085	3-Hydroxy-22-oxo-9(11),12-oleanadien-29-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069086	3-Hydroxy-23-oxo-7,14,24-mariesiatrien-26-oic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069087	3-Hydroxylanosta-7,24-dien-26,23-olide, 27-Hydroxy, 3-ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069088	3-Hydroxytirucalla-8,24-dien-26-oic acid, 3-Ketone, 21-oxo 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069089	4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid; 4?-form, Me ester 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069090	6,16-Dihydroxy-3-oxoeupha-7,24-dien-21-oic acid, (21?16)-Lactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069091	Anhydrobelachinal 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069092	Aquaticol 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069093	Bacchopetiolone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069094	Bis(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069095	Colupone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069096	Dysonone B; 7-Ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069097	Holosta-7,25-dien-3-ol, 16-Ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069098	Kadsudilactone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069099	Mariesiic acid B; 23-Ketone 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069100	Pseudolarolide A 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069101	Schisanlactone F 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069102	Seconeokadsuranic acid A 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069103	Stichopogenin A2 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069104	Stoloniferone B; Ac 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MJ069105	Uvariastrol 	C30H44O4	468.323959	NA	MeJP	NA	NA
+MetaCyc03657	3-oxoglycyrrhetinate []	C30H44O4	468.32396	NA	metacyc	NA	NA
+C02943	3-Oxoglycyrrhetinate	C30H44O4	468.324	NA	KEGG	NA	NA
+MJ069106	Agel 452; 4-Deoxy, 2,5-dihydroxy 	C23H44N6O4	468.342403	NA	MeJP	NA	NA
+MJ069107	24-Methyl-27-nor-3,6,8,15,16,26-cholestanehexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069108	Cholestane-2,3,7,12,26,27-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069109	Cholestane-3,4,6,8,15,24-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069110	Cholestane-3,5,6,15,16,26-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069111	Cholestane-3,5,6,8,15,24-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069112	Cholestane-3,6,7,15,16,26-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069113	Cholestane-3,6,7,8,15,24-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069114	Cholestane-3,6,8,15,16,26-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069115	Cholestane-3,7,12,24,26,27-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069116	Cholestane-3,7,12,25,26,27-hexol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+MJ069117	Herbasterol 	C27H48O6	468.345089	NA	MeJP	NA	NA
+C16260	Scymnol	C27H48O6	468.3451	NA	KEGG	NA	NA
+C02785	3-Hydroxy-vitamin K	C31H48O3	468.3603	NA	KEGG	NA	NA
+C02793	2-Hydroxy-vitamin K	C31H48O3	468.3603	NA	KEGG	NA	NA
+C16950	Dehydroeburicoic acid	C31H48O3	468.3603	NA	KEGG	NA	NA
+MJ069118	13-Methyl-3-oxo-20-ursen-28-oic acid 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069119	14-Serratene-3,21,30-triol, 30-Aldehyde, 21-ketone, 3-Me ether 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069120	21,24-Epoxy-2-hydroxy-24-methyllanosta-1,9(11)-dien-3-one 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069121	21-Hydroxy-13-serratene-3,15-dione; 21?-form, Me ether 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069122	28-Nor-12,17-lupadiene-3,16-diol, 3-Ac 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069123	28-Nor-12,20(30)-ursadiene-3,17-diol, 3-Ac 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069124	3-Hydroxy-24-methylene-7,9(11)-lanostadien-21-oic acid 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069125	3-Hydroxy-7-bauren-28-oic acid, 3-Ketone, Me ester 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069126	3-Hydroxylanosta-7,24-dien-26,23-olide, 3-Me ether 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069127	3-Oxo-12-oleanen-28-oic acid; Me ester 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069128	Ambolic acid; 3-Ketone 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069129	Cyclograndisolide 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069130	Monocarpin 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MJ069131	Pisolactone; 3-Ketone 	C31H48O3	468.360345	NA	MeJP	NA	NA
+MetaCyc03658	3-hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone [3-hydroxy-vitamin K;]	C31H48O3	468.360345	NA	metacyc	NA	NA
+MJ069132	Holarrhenine; O-(4-Methylpent-3-enoyl) 	C30H48N2O2	468.371578	NA	MeJP	NA	NA
+MJ069133	Symetine 	C30H48N2O2	468.371578	NA	MeJP	NA	NA
+MJ069134	Stellettazole C 	C29H49N4O(+)	468.382812	NA	MeJP	NA	NA
+C08630	Lupeol acetate	C32H52O2	468.3967	NA	KEGG	NA	NA
+MJ069135	12-Lupen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069136	12-Oleanen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069137	12-Oleanen-3-ol; 3?-form, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069138	12-Ursen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069139	13(18)-Oleanen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069140	13(18)-Ursen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069141	14(18),17(20),24-Malabaricatrien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069142	14-Taraxeren-3-ol, 3-Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069143	16-Gammaceren-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069144	17(21)-Hopen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069145	18-Oleanen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069146	18-Oleanen-3-ol; 3?-form, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069147	19(29)-Ursen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069148	19-Ursen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069149	20(29)-Lupen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069150	20(29)-Lupen-3-ol; 3?-form, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069151	20(30)-Taraxasten-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069152	20(30)-Ursen-12-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069153	20(30)-Ursen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069154	20-Taraxasten-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069155	22(29)-Hopen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069156	24-Methyl-29-norcycloart-25-en-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069157	4,14-Dimethyl-9,19-cycloergost-25-en-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069158	4-Methylstigmasta-7,25-dien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069159	5-Glutinen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069160	7-Baueren-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069161	7-Multifloren-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069162	8-Multifloren-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069163	9(11)-Arborinen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069164	9(11)-Fernen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069165	Boehmerol; Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069166	Butyrospermol; Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069167	Cycloart-24-en-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069168	Cycloeucalenol; Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069169	Cyclopeltenol; Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069170	D-Friedo-14-lupen-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069171	Dammara-12,25-dien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069172	Dammara-13(17),24-dien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069173	Dammara-20,24-dien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069174	Isoursenol; Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069175	Pichierenol; Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069176	Swertanone; 3?-Alcohol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069177	Tirucalla-8,22-dien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069178	Tirucalla-8,24-dien-3-ol, Ac 	C32H52O2	468.39673	NA	MeJP	NA	NA
+MJ069179	14,15-Epoxy-2,3,6,10,15,18,22,23-octamethyl-19-methylene-1,6,10,23-tetracosatetraene 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069180	14,15-Epoxy-2,3,7,10,15,18,23-heptamethyl-6,19-dimethylene-1,10,22-tetracosatriene 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069181	23,24,24-Trimethyllanosta-9(11),25-dien-3-ol 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069182	23-Ethyl-24-methylenecycloartan-3-ol 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069183	Botryococcenone 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069184	Clausenol 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069185	Cycloneolitsin 	C33H56O	468.433116	NA	MeJP	NA	NA
+MJ069186	11-Hydroxytriacontanoic acid 	C30H60O3	468.454245	NA	MeJP	NA	NA
+MJ069187	30-Hydroxytriacontanoic acid 	C30H60O3	468.454245	NA	MeJP	NA	NA
+MJ069188	10,13-Hentriacontanediol 	C31H64O2	468.490631	NA	MeJP	NA	NA
+MJ069189	6,8-Hentriacontanediol 	C31H64O2	468.490631	NA	MeJP	NA	NA
+MJ069190	8,10-Hentriacontanediol 	C31H64O2	468.490631	NA	MeJP	NA	NA
+2875	opioid fragment of dermorphin	YIFHLMD	468.71215	MH2+	Inhouse_peptide	NA	peptide
+2573	vasopressin	CYFQNCPRGG	468.71345	MH2+	Inhouse_peptide	NA	peptide
+3722	NA	WWPKHKG	468.7385	MH2+	Inhouse_peptide	NA	peptide
+MJ069191	Dicloxacillin 	C19H17Cl2N3O5S	469.026596	NA	MeJP	NA	NA
+C06950	Dicloxacillin	C19H17Cl2N3O5S	469.0266	NA	KEGG	NA	NA
+MJ069192	Palmatine chloroform 	C22H22Cl3NO4	469.061441	NA	MeJP	NA	NA
+HMDB03904	2-(alpha-Hydroxyethyl)thiamine diphosphate	C14H23N4O8P2S	469.07117	http://www.hmdb.ca/metabolites/HMDB03904	HMDB	NA	NA
+HMDB03904	2-(alpha-Hydroxyethyl)thiamine diphosphate	C14H23N4O8P2S	469.07117	HMDB03904	PFEM_hmdb_metabocards_official	NA	NA
+MJ069193	2-(alpha-Hydroxyethyl)thiamine diphosphate 	C14H23N4O8P2S	469.071182	NA	MeJP	NA	NA
+HMDB03904	2-(a-Hydroxyethyl)thiamine diphosphate	C14H23N4O8P2S	469.071198	NA	HMDB2010	NA	NA
+C05125	2-(alpha-Hydroxyethyl)thiamine diphosphate	C14H23N4O8P2S	469.0712	NA	KEGG	NA	NA
+MJ069194	2-Hydroxy-2-[(4-methoxyphenyl)ethyl]glucosinolate 	C16H23NO11S2	469.071251	NA	MeJP	NA	NA
+MJ069195	3,4-Dihydroxybenzyl glucosinolate; Di-Me ether 	C16H23NO11S2	469.071251	NA	MeJP	NA	NA
+MJ069196	Tuberosinone; N-?-D-Glucopyranoside 	C23H19NO10	469.100895	NA	MeJP	NA	NA
+PJ002084	CCNM 	C15H27N5O6S3	469.1124	NA	PeJP	NA	NA
+C08529	Kalbreclasine	C20H23NO12	469.122	NA	KEGG	NA	NA
+MJ069197	Narciclasine; 2-O-?-D-Glucopyranoside 	C20H23NO12	469.122025	NA	MeJP	NA	NA
+MJ069198	Narciclasine; 4-O-?-D-Glucopyranoside 	C20H23NO12	469.122025	NA	MeJP	NA	NA
+PJ002085	GSTCC 	C15H27N5O8S2	469.1301	NA	PeJP	NA	NA
+MJ069199	Cyclic AMP; N,O2-Dibutanoyl 	C18H24N5O8P	469.136249	NA	MeJP	NA	NA
+MJ069200	2-Butyl-1-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]-4-chloro-1H-imidazole-5-acetic acid 	C24H24ClN3O5	469.140448	NA	MeJP	NA	NA
+PJ002086	SSSSC 	C15H27N5O10S	469.1479	NA	PeJP	NA	NA
+C04611	Indol-3-ylacetyl-myo-inositol L-arabinoside	C21H27NO11	469.1584	NA	KEGG	NA	NA
+MetaCyc03659	indole-3-yl-acetyl-myo-inositol L-arabinoside [indole-3-yl-acetyl-myo-inositol 3-L-arabinoside;]	C21H27N1O11	469.158411	NA	metacyc	NA	NA
+PJ002087	GCQY 	C19H27N5O7S	469.1631	NA	PeJP	NA	NA
+MJ069201	Staurosporine; 4'-De(methylamino), 4',7-dihydroxy 	C27H23N3O5	469.16377	NA	MeJP	NA	NA
+MJ069202	Staurosporine; 4'-De(methylamino), 4'?,5'?-dihydroxy 	C27H23N3O5	469.16377	NA	MeJP	NA	NA
+MJ069203	Antibiotic DC 5-4 	C15H27N5O12	469.165621	NA	MeJP	NA	NA
+MJ069204	Erbulozole 	C24H27N3O5S	469.167141	NA	MeJP	NA	NA
+PJ002088	PCNH 	C18H27N7O6S	469.1744	NA	PeJP	NA	NA
+PJ002089	SSNY 	C19H27N5O9	469.1809	NA	PeJP	NA	NA
+MJ069205	Diphenhydramine; 8-Chlorotheophylline salt (1:1) 	C24H28ClN5O3	469.188067	NA	MeJP	NA	NA
+PJ002090	GQEH 	C18H27N7O8	469.1921	NA	PeJP	NA	NA
+PJ002091	GCKY 	C20H31N5O6S	469.1995	NA	PeJP	NA	NA
+PJ002092	QHW 	C22H27N7O5	469.2074	NA	PeJP	NA	NA
+PJ002093	PPQE 	C20H31N5O8	469.2173	NA	PeJP	NA	NA
+MJ069206	3-Aminoheptanedioic acid, Bis(L-phenylalaninamide) 	C25H31N3O6	469.221285	NA	MeJP	NA	NA
+MJ069207	N1,N10-Dicoumaroylspermidine; 3',3''-Dihydroxy 	C25H31N3O6	469.221285	NA	MeJP	NA	NA
+MJ069208	Nefazodone 	C25H32ClN5O2	469.224453	NA	MeJP	NA	NA
+C07256	Nefazodone	C25H32ClN5O2	469.2245	NA	KEGG	NA	NA
+PJ002094	GKEH 	C19H31N7O7	469.2285	NA	PeJP	NA	NA
+MJ069209	17-Methylparsonsianidine 	C23H35NO9	469.231181	NA	MeJP	NA	NA
+MJ069210	Lasiocarpine; O3'-Ac, N-oxide 	C23H35NO9	469.231181	NA	MeJP	NA	NA
+PJ002095	APPW 	C24H31N5O5	469.2325	NA	PeJP	NA	NA
+PJ002096	GTHR 	C18H31N9O6	469.2398	NA	PeJP	NA	NA
+EUR817	Lyso PE 14:1 [M+FA-H]-	C19H38NO7P	469.243472	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR817	Lyso PE 14:1 [M+FA-H]-	C19H38NO7P	469.243472	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR817	Lyso PE 14:1 [M+FA-H]-	C19H38NO7P	469.243472	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR817	Lyso PE 14:1 [M+FA-H]-	C19H38NO7P	469.243472	masses lipides attendues	Inhousejuil11	NA	NA
+PJ002097	KHW 	C23H31N7O4	469.2438	NA	PeJP	NA	NA
+MJ069211	Hetidine; O3-(2-Methylpropanoyl), O2-Ac 	C27H35NO6	469.246437	NA	MeJP	NA	NA
+MJ069212	Tuberine 	C27H35NO6	469.246437	NA	MeJP	NA	NA
+PJ002098	PPKE 	C21H35N5O7	469.2537	NA	PeJP	NA	NA
+PJ002099	PPTR 	C20H35N7O6	469.2649	NA	PeJP	NA	NA
+MJ069213	Crassicaulidine 	C24H39NO8	469.267567	NA	MeJP	NA	NA
+MJ069214	Delcaroline; O1-De-Me 	C24H39NO8	469.267567	NA	MeJP	NA	NA
+MJ069215	Delcosine; 12?-Hydroxy 	C24H39NO8	469.267567	NA	MeJP	NA	NA
+MJ069216	Cytochalasin S 	C28H39NO5	469.282823	NA	MeJP	NA	NA
+7798	ACE inhibitor	VVRP	469.289	antioxidative	Inhouse_peptide	NA	peptide
+PJ002100	PLLQ 	C22H39N5O6	469.2901	NA	PeJP	NA	NA
+MJ069217	Ebastine 	C32H39NO2	469.298079	NA	MeJP	NA	NA
+MJ069218	Terfenadone 	C32H39NO2	469.298079	NA	MeJP	NA	NA
+PJ002101	PVVR 	C21H39N7O5	469.3013	NA	PeJP	NA	NA
+MJ069219	Eflucimibe 	C29H43NO2S	469.30145	NA	MeJP	NA	NA
+MJ069220	Methymycin 	C25H43NO7	469.303952	NA	MeJP	NA	NA
+MJ069221	Neomethymycin 	C25H43NO7	469.303952	NA	MeJP	NA	NA
+C11995	Neomethymycin	C25H43NO7	469.304	NA	KEGG	NA	NA
+C11996	Methymycin	C25H43NO7	469.304	NA	KEGG	NA	NA
+MJ069222	Piericidin; Antibiotic IT143A 	C29H43NO4	469.319208	NA	MeJP	NA	NA
+MJ069223	Veralodisine 	C29H43NO4	469.319208	NA	MeJP	NA	NA
+PJ002102	PLLK 	C23H43N5O5	469.3264	NA	PeJP	NA	NA
+MJ069224	Daphnimacropine; Deoxy 	C30H47NO3	469.355594	NA	MeJP	NA	NA
+MJ069225	Secodaphniphylline 	C30H47NO3	469.355594	NA	MeJP	NA	NA
+MJ069226	N-(1-Hydroxymethyl-2-methoxyethyl)-7-methoxy-4-eicosenamide, 2'-Ac 	C27H51NO5	469.376723	NA	MeJP	NA	NA
+3130	ester transferases inhibitor	WRMWYV	469.7152	MH2+	Inhouse_peptide	NA	peptide
+MJ069227	1,1,3,3-Tetrabromo-2-heptanol; Ac 	C9H14Br4O2	469.77273	NA	MeJP	NA	NA
+MJ069228	Rubrolide E; 2,3''-Dibromo, 3'-chloro 	C17H9Br2ClO4	469.855611	NA	MeJP	NA	NA
+MJ069229	Rubrolide E; 3'',5''-Dibromo, 2-chloro 	C17H9Br2ClO4	469.855611	NA	MeJP	NA	NA
+MJ069230	Rubrolide E; 3',3''-Dibromo, 2-chloro 	C17H9Br2ClO4	469.855611	NA	MeJP	NA	NA
+MJ069231	Cefazaflur 	C13H13F3N6O4S3	470.011249	NA	MeJP	NA	NA
+MJ069232	Flavogallonic acid 	C21H10O13	470.01214	NA	MeJP	NA	NA
+MJ069233	Sanguisobic acid dilactone 	C21H10O13	470.01214	NA	MeJP	NA	NA
+MJ069234	Cefanone 	C15H14N6O6S3	470.013694	NA	MeJP	NA	NA
+HMDB03850	1-Phosphatidyl-1D-myo-inositol 3-phosphate	C11H20O16P2	470.022644	NA	HMDB2010	NA	NA
+HMDB03850	1-Phosphatidyl-1D-myo-inositol 3-phosphate	C11H20O16P2	470.02267	http://www.hmdb.ca/metabolites/HMDB03850	HMDB	NA	NA
+HMDB03850	1-Phosphatidyl-1D-myo-inositol 3-phosphate	C11H20O16P2	470.02267	HMDB03850	PFEM_hmdb_metabocards_official	NA	NA
+MJ069235	Nasrin 	C22H21Cl3O5	470.045456	NA	MeJP	NA	NA
+MJ069236	Clofibric acid; Aluminium compd. (2:1) 	C20H21AlCl2O7	470.047971	NA	MeJP	NA	NA
+MJ069237	7-[[(2-Amino-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-[[[(dimethylamino)carbonyl]oxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 	C16H18N6O7S2	470.067838	NA	MeJP	NA	NA
+MJ069238	Alnicortol 	C19H18O14	470.069655	NA	MeJP	NA	NA
+MJ069239	3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-(6-Deoxy-?-D-gulopyranosyl) 	C24H20Cl2N2O4	470.080012	NA	MeJP	NA	NA
+MJ069240	3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-?-L-Rhamnopyranosyl 	C24H20Cl2N2O4	470.080012	NA	MeJP	NA	NA
+FL5FACNS0005	3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one	C23H18O11	470.08491	475107-94-9	knapsack	NA	NA
+MJ069241	3,3',4',5,7-Pentahydroxyflavone; 3,3',4',7-Tetra-Ac 	C23H18O11	470.084911	NA	MeJP	NA	NA
+MJ069242	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(2-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069243	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(4-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069244	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(6-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069245	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside, 4'-O-sulfate 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069246	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside, 5-O-sulfate 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069247	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(2-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069248	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(3-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069249	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(4-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069250	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-(6-O-Sulfo-?-D-glucopyranoside) 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069251	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-?-D-Glucopyranoside, 5-O-sulfate 	C20H22O11S	470.088282	NA	MeJP	NA	NA
+MJ069252	Falconensin A; 1',2'-Dihydro, 4''-O-de-Me 	C22H24Cl2O7	470.089908	NA	MeJP	NA	NA
+PJ002103	CCDM 	C15H26N4O7S3	470.0964	NA	PeJP	NA	NA
+MJ069253	5-(Hydroxymethyl)-1,2,3-benzenetriol; 1'-O-(3,4,5-Trihydroxybenzoyl), 2-O-?-D-glucopyranoside 	C20H22O13	470.10604	NA	MeJP	NA	NA
+MJ069254	5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C20H22O13	470.10604	NA	MeJP	NA	NA
+MJ069255	Ulbactin C 	C19H26N4O4S3	470.111617	NA	MeJP	NA	NA
+FL3F29GF0001	Pongamoside B	C24H22O10	470.12129	713524-64-2	knapsack	NA	NA
+FL5F29GF0001	Pongamoside C	C24H22O10	470.12129	713524-65-3	knapsack	NA	NA
+MJ069256	7-Hydroxy-2H-1-benzopyran-2-one; O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C24H22O10	470.121296	NA	MeJP	NA	NA
+HMDB06862	1,2-Diacyl-3-(GlcB1-6GlcB1)-sn-glycerol	C17H26O15	470.12717	http://www.hmdb.ca/metabolites/HMDB06862	HMDB	NA	NA
+HMDB06863	Digalactosyl-diacylglycerol	C17H26O15	470.12717	http://www.hmdb.ca/metabolites/HMDB06863	HMDB	NA	NA
+HMDB06862	1,2-Diacyl-3-(GlcB1-6GlcB1)-sn-glycerol	C17H26O15	470.12717	HMDB06862	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06863	Digalactosyl-diacylglycerol	C17H26O15	470.12717	HMDB06863	PFEM_hmdb_metabocards_official	NA	NA
+MJ069257	Paucidactine A 	C23H22N2O9	470.13253	NA	MeJP	NA	NA
+PJ002104	SCMM 	C16H30N4O6S3	470.1328	NA	PeJP	NA	NA
+MJ069258	Melithiazoles; Melithiazole F 	C24H26N2O4S2	470.133398	NA	MeJP	NA	NA
+MJ069259	14-Chloro-3,4-epoxy-2,5,8,10-tetrahydroxy-11(13)-guaien-12,6-olide, 5-Deoxy, 8-O-(4-Acetoxy-2-methyl-2Z-butenoyl) 	C22H27ClO9	470.13436	NA	MeJP	NA	NA
+FL1CE9NC0001	Didymocalyxin B	C28H22O7	470.13655	252238-41-8	knapsack	NA	NA
+MJ069260	Ampelopsin A 	C28H22O7	470.136553	NA	MeJP	NA	NA
+MJ069261	Ampelopsin F; 7a-Epimer, 2b-hydroxy 	C28H22O7	470.136553	NA	MeJP	NA	NA
+MJ069262	Cassigarol C 	C28H22O7	470.136553	NA	MeJP	NA	NA
+MJ069263	Didymocalyxin B 	C28H22O7	470.136553	NA	MeJP	NA	NA
+MJ069264	Gnetin G 	C28H22O7	470.136553	NA	MeJP	NA	NA
+MJ069265	Scirpusin A 	C28H22O7	470.136553	NA	MeJP	NA	NA
+MJ069266	?-Viniferin, 2''-Hydroxy 	C28H22O7	470.136553	NA	MeJP	NA	NA
+C09797	Plumieride	C21H26O12	470.1424	NA	KEGG	NA	NA
+MJ069267	1,4,5-Naphthalenetriol; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O12	470.142426	NA	MeJP	NA	NA
+MJ069268	1,4,5-Naphthalenetriol; 4-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O12	470.142426	NA	MeJP	NA	NA
+MJ069269	1,4,5-Naphthalenetriol; 4-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O12	470.142426	NA	MeJP	NA	NA
+MJ069270	7-Hydroxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O12	470.142426	NA	MeJP	NA	NA
+MJ069271	Plumieride 	C21H26O12	470.142426	NA	MeJP	NA	NA
+PJ002105	GCEY 	C19H26N4O8S	470.1472	NA	PeJP	NA	NA
+FL5FGCNI0001	2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one	C25H26O9	470.15768	244260-17-1	knapsack	NA	NA
+MJ069272	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4'-Methylene, 3,5,6,8-tetra-Me, 7-O-(3-methyl-2-butenyl) ether 	C25H26O9	470.157682	NA	MeJP	NA	NA
+MJ069273	Colensoic acid; 2',2''-Dioxo 	C25H26O9	470.157682	NA	MeJP	NA	NA
+MJ069274	Norlobaric acid; 3-Me ether, 4'-oxo 	C25H26O9	470.157682	NA	MeJP	NA	NA
+MJ069275	Sakyomicin A; 2-Deoxy 	C25H26O9	470.157682	NA	MeJP	NA	NA
+PJ002106	PCDH 	C18H26N6O7S	470.1584	NA	PeJP	NA	NA
+PJ002107	CYW 	C23H26N4O5S	470.1624	NA	PeJP	NA	NA
+PJ002108	SSDY 	C19H26N4O10	470.1649	NA	PeJP	NA	NA
+PJ002109	ACMF 	C20H30N4O5S2	470.1658	NA	PeJP	NA	NA
+MJ069276	Danuphylline 	C24H26N2O8	470.168915	NA	MeJP	NA	NA
+MJ069277	Kopsaporine; 11,12-Methylenedioxy 	C24H26N2O8	470.168915	NA	MeJP	NA	NA
+MJ069278	Haterumalide NE; 3-Ac 	C23H31ClO8	470.170745	NA	MeJP	NA	NA
+MJ069279	Oocydin A 	C23H31ClO8	470.170745	NA	MeJP	NA	NA
+MJ069280	Docarpamine 	C21H30N2O8S	470.172286	NA	MeJP	NA	NA
+MJ069281	9,10-Dihydro-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-6-methoxy-1,2,7-phenanthrenetriol 	C29H26O6	470.172938	NA	MeJP	NA	NA
+MJ069282	Marchantin C; 2'-Hydroxy, 7'?-methoxy 	C29H26O6	470.172938	NA	MeJP	NA	NA
+MJ069283	Plagiochin D; 2,14-Dihydroxy 	C29H26O6	470.172938	NA	MeJP	NA	NA
+PJ002110	GEEH 	C18H26N6O9	470.1762	NA	PeJP	NA	NA
+MJ069284	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether, 5,8,10-tri-Ac 	C22H30O11	470.178811	NA	MeJP	NA	NA
+MJ069285	2,8-Decadiene-4,6-diyn-1-ol, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C22H30O11	470.178811	NA	MeJP	NA	NA
+MJ069286	Antibiotic OF 4949; Antibiotic OF 4949III 	C23H26N4O7	470.180149	NA	MeJP	NA	NA
+PJ002111	GTMY 	C20H30N4O7S	470.1835	NA	PeJP	NA	NA
+PJ002112	SNNH 	C17H26N8O8	470.1874	NA	PeJP	NA	NA
+PJ002113	EHW 	C22H26N6O6	470.1914	NA	PeJP	NA	NA
+MJ069287	Cormetasone; 21-Ac 	C24H29F3O6	470.191623	NA	MeJP	NA	NA
+MJ069288	Froxiprost 	C24H29F3O6	470.191623	NA	MeJP	NA	NA
+MJ069289	6,14,15-Trihydroxy-8-drimen-12,11-olide, 6-Benzoyl,14,15-Di-Ac 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069290	Ageratoriparin 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069291	Butyrylmallotochromene 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069292	Carapolide A 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069293	Carapolide C 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069294	Carapolide D; 10,19-Dihydro, 10S-hydroxy 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069295	Cneorin D; 8-Me ether 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069296	Cycloseverinolide 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069297	Deacylkadsulignan H; O-Butanoyl 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069298	Drummondin A 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069299	Dysoxylin 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069300	Isobutyrylmallotochromene 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069301	Isophysodic acid 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069302	Limonin 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069303	Obacunol; 7-Ketone, 11?-hydroxy 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069304	Physodic acid 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069305	Tricoccin R1 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069306	Tricoccin S2; 7-Epimer, Me ether 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069307	Tricoccin S2; 9,17-Diepimer, 9-Me ether 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MJ069308	Tricoccin S2; Me ether 	C26H30O8	470.194067	NA	MeJP	NA	NA
+MetaCyc03660	limonoate D-ring-lactone [limonin;]	C26H30O8	470.194068	NA	metacyc	NA	NA
+C03514	Limonin	C26H30O8	470.1941	NA	KEGG	NA	NA
+C08788	Zapoterin	C26H30O8	470.1941	NA	KEGG	NA	NA
+C08997	Butyrylmallotochromene	C26H30O8	470.1941	NA	KEGG	NA	NA
+C09009	Isobutyrylmallotochromene	C26H30O8	470.1941	NA	KEGG	NA	NA
+PJ002114	SPMH 	C19H30N6O6S	470.1948	NA	PeJP	NA	NA
+MJ069309	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-Sulfate 	C23H34O8S	470.197438	NA	MeJP	NA	NA
+MJ069310	3,14,19-Trihydroxycard-20(22)-enolide, 3-Sulfate 	C23H34O8S	470.197438	NA	MeJP	NA	NA
+MJ069311	Sultriecin 	C23H34O8S	470.197438	NA	MeJP	NA	NA
+PJ002115	STTY 	C20H30N4O9	470.2013	NA	PeJP	NA	NA
+MJ069312	Chanofruticosine methyl ester; 11,12-Dimethoxy 	C25H30N2O7	470.205301	NA	MeJP	NA	NA
+MJ069313	Moexiprilat 	C25H30N2O7	470.205301	NA	MeJP	NA	NA
+MJ069314	18-Chloro-4,6,19-trihydroxy-13-cleroden-15,16-olide, 6,19-Di-Ac 	C24H35ClO7	470.207131	NA	MeJP	NA	NA
+MJ069315	Shanciguol; 3,3'-Di-Me ether 	C30H30O5	470.209324	NA	MeJP	NA	NA
+PJ002116	SVEH 	C19H30N6O8	470.2125	NA	PeJP	NA	NA
+MJ069316	Antiarrhythmic peptide (ox atrium) 	C19H30N6O8	470.212511	NA	MeJP	NA	NA
+MJ069317	3,9,13-Trihydroxy-7-illuden-1-one, 9-O-(2-Acetyl-?-D-glucopyranoside) 	C23H34O10	470.215197	NA	MeJP	NA	NA
+PJ002117	AAFY 	C24H30N4O6	470.2166	NA	PeJP	NA	NA
+MJ069318	Vincamajine; O-Benzoyl 	C29H30N2O4	470.220557	NA	MeJP	NA	NA
+PJ002118	APHF 	C23H30N6O5	470.2278	NA	PeJP	NA	NA
+MJ069319	2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-tigloyl, 14-Ac 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069320	2-(4-Carboxybutoxy)-6-[[6-(4-methoxyphenyl)-5-hexenyl]oxy]benzenepropanoic acid 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069321	3,4,6,8-Tetrahydroxy-11,13-clerodadien-15,16-olide, O6-Benzoyl 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069322	3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one; 6-Ethyl analogue 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069323	Andirobin; 1,2-Dihydro 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069324	Andirobin; 3?-Alcohol 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069325	Angolensic acid; Me ester 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069326	Detigloylswietenine; 6-Deoxy 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069327	Helicerastripyrone 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069328	Kushenol F; 4'',5''-Dihydro, 5''-hydroxy, 2',5-di-Me ether 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069329	Lucidenic acid D1 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069330	Odyendene 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069331	Picrolichenic acid; Homologue (1) 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069332	Picrolichenic acid; Homologue (2) 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069333	Swietenolide; 6-Deoxy 	C27H34O7	470.230453	NA	MeJP	NA	NA
+MJ069334	Tricoccin S8 	C27H34O7	470.230453	NA	MeJP	NA	NA
+2605	synthetic peptide inhibitors of (PEP)	IHPFAQTQ	470.231	MH2+	Inhouse_peptide	NA	peptide
+PJ002119	ALMH 	C20H34N6O5S	470.2312	NA	PeJP	NA	NA
+MJ069335	1,3-Octanediol, 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H38O12	470.236326	NA	MeJP	NA	NA
+MJ069336	Strychnosilidine 	C26H34N2O6	470.241686	NA	MeJP	NA	NA
+PJ002120	TTLH 	C20H34N6O7	470.2489	NA	PeJP	NA	NA
+7706	pyrokinin TENMO-PK-2	SPPFAPRLG	470.2495	MH2+	Inhouse_peptide	NA	peptide
+MJ069337	2,3,5,6,10,14,16-Grayanotoxaneheptol, 6,14-Di-Ac 	C24H38O9	470.251582	NA	MeJP	NA	NA
+PJ002121	APQR 	C19H34N8O6	470.2602	NA	PeJP	NA	NA
+MJ069338	Echinoclathrine C; S-Ac 	C27H38N2O3S	470.260313	NA	MeJP	NA	NA
+C08841	Withaferin A	C28H38O6	470.2668	NA	KEGG	NA	NA
+C08842	Withanolide D	C28H38O6	470.2668	NA	KEGG	NA	NA
+C12149	Stigmatellin X	C28H38O6	470.2668	NA	KEGG	NA	NA
+MJ069339	14,15-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069340	14,20,27-Trihydroxy-1-oxowitha-3,5,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069341	14,20,28-Trihydroxy-1-oxowitha-3,5,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069342	14,20-Epoxy-3,17-dihydroxy-1-oxowitha-5,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069343	14,20-Epoxy-3,27-dihydroxy-1-oxowitha-5,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069344	19-Norpregna-1,3,5(10),20-tetraen-3-ol; O-(4-O-Acetyl-6-deoxy-?-D-galactopyranoside) 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069345	27-Deoxy-14-hydroxywithaferin A 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069346	3,17,20-Trihydroxy-1-oxowitha-5,14,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069347	3,8,12,14-Tetrahydroxypregnan-20-one, 12-Benzoyl 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069348	4,17,27-Trihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069349	4,7,20-Trihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069350	4a,6-Dihydroxy-A-homoazadirone; 1,2-Dihydro 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069351	5,6-Epoxy-16,17-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069352	5,6-Epoxy-17-hydroxy-1,12-dioxowith-24-enolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069353	5,6-Epoxy-19,27-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069354	5,6-Epoxy-21,27-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069355	5,6-Epoxy-4,16-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069356	5,6-Epoxy-4,17-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069357	5,6-Epoxy-4,18-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069358	5,6-Epoxy-4,20-dihydroxy-1-oxowith-24-enolide, 2,3-Didehydro, 24S,25R-dihydro, 4-ketone 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069359	5,6-Epoxy-4,20-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069360	6,7-Epoxy-5,12-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069361	6,7-Epoxy-5,8-dihydroxy-1-oxowitha-2,24-dienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069362	6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide, 20?-Hydroxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069363	6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide, 27-Hydroxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069364	7,12-Dihydroxymeliac-1-ene-3,15-dione, 1,2-Dihydro, 12-Ac 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069365	8,11,16-Trihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069366	8,18,20-Trihydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069367	8-Daucene-4,6,10-triol, 6-(4-Methoxybenzoyl), 10-angeloyl 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069368	Acnistin E; 17-epimer, 4-Deoxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069369	Acnistin E; 4-Deoxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069370	Nicalbin B 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069371	Nicandrin B 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069372	O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-O-2-Methylpropanoyl 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069373	Projaborol 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069374	Salpichrolide N 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069375	Withafastuosin A; 2,3-Didehydro 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069376	Withaferin A 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069377	Withametelin; 5,6-Dihydro, 5?,6?-dihydroxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069378	Withanolide D 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069379	Withanolide F 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069380	Withanolide G; 17?-Hydroxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069381	Withanolide G; 27-Hydroxy 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069382	Withanolide Q 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069383	Withanolide R 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069384	Withanolide WS1 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069385	Withanone 	C28H38O6	470.266838	NA	MeJP	NA	NA
+MJ069386	Withasomniferol C 	C28H38O6	470.266838	NA	MeJP	NA	NA
+HMDB03218	Withanolide	C28H38O6	470.266846	NA	HMDB2010	NA	NA
+HMDB03218	Withanolide	C28H38O6	470.26685	http://www.hmdb.ca/metabolites/HMDB03218	HMDB	NA	NA
+HMDB03218	Withanolide	C28H38O6	470.26685	HMDB03218	PFEM_hmdb_metabocards_official	NA	NA
+MJ069387	Virenamide A; N-Deprenyl 	C26H38N4O2S	470.271547	NA	MeJP	NA	NA
+PJ002122	PLLE 	C22H38N4O7	470.2741	NA	PeJP	NA	NA
+MJ069388	6-Bromo-5,9-hexacosadienoic acid 	C26H47BrO2	470.275943	NA	MeJP	NA	NA
+PJ002123	PVQK 	C21H38N6O6	470.2853	NA	PeJP	NA	NA
+MJ069389	8,13-Labdadiene-6,15,17,19-tetrol, 6-O-?-L-Arabinopyranoside 	C25H42O8	470.287968	NA	MeJP	NA	NA
+MJ069390	Ceanothine C 	C26H38N4O4	470.289305	NA	MeJP	NA	NA
+MJ069391	Ceanothine D 	C26H38N4O4	470.289305	NA	MeJP	NA	NA
+PJ002124	APKR 	C20H38N8O5	470.2965	NA	PeJP	NA	NA
+MJ069392	Sambucinin 	C24H42N2O7	470.299201	NA	MeJP	NA	NA
+MJ069393	11,12-Epoxy-2,3-dihydroxy-24-nor-4(23)-ursen-28,13-olide 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069394	17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione, 3-Ketone 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069395	17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069396	2,3,15,22-Tetrahydroxy-24,29-dinor-1,3,5(10)-friedelatrien-21-one, 3-Me ether 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069397	2-(5-Hydroxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzenediol; 10',11'-Dihydro, 12'-oxo, 5'-Ac 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069398	5,19-Epoxy-3-hydroxy-28-nor-11-oxocucurbit-24-en-26-oic acid, 3-Ketone 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069399	7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069400	Antheridiol 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069401	Aszonapyrone A; Me ether 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069402	Cabraleahydroxylactone; 12?-Acetoxy, 1,2-didehydro, 3-ketone 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069403	Daldinin A; Daldinin A3 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069404	Daldinin A; Daldinin A4, 3,4-Dihydro 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069405	Furoscalarol; Ac 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069406	Isogosterone A 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069407	Limocin A 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069408	Minabeolide 4; 18-Acetoxy 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069409	Nahocol A; 13'-Deoxy 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069410	Sesquicillin 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069411	Zosterondiol B 	C29H42O5	470.303224	NA	MeJP	NA	NA
+MJ069412	5,6,7,8-Tetrahydro-6-[[6-[[2-(2-methoxyphenoxy)ethyl]amino]hexyl]propylamino]-1,2-naphthalenediol 	C28H42N2O4	470.314457	NA	MeJP	NA	NA
+PJ002125	PVKK 	C22H42N6O5	470.3217	NA	PeJP	NA	NA
+MJ069413	13-Labdene-8,15,16-triol, 8-O-?-Fucopyranoside 	C26H46O7	470.324353	NA	MeJP	NA	NA
+C02283	Glycyrrhetinate	C30H46O4	470.3396	NA	KEGG	NA	NA
+C03930	3alpha-Hydroxyglycyrrhetinate	C30H46O4	470.3396	NA	KEGG	NA	NA
+C08950	Gypsogenin	C30H46O4	470.3396	NA	KEGG	NA	NA
+HMDB11628	Glycyrrhetinic acid	C30H46O4	470.3396	NA	HMDB2010	NA	NA
+MJ069414	1,12,18,29-Triacontatetrayne-3,14,17,28-tetrol 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069415	1,3-Dihydroxy-12-oleanen-30-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069416	11,12-Epoxy-3,13-dihydroxy-28-oleananoic acid, 28?13 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069417	11,12-Epoxy-3-hydroxy-28,13-ursanolide 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069418	11,13(18)-Oleanadiene-3,23,28-triol, 28-Carboxylic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069419	12-Hydroxy-3-oxolanosta-8,24-dien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069420	12-Hydroxy-3-oxolanosta-9(11),24-dien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069421	12-Oleanene-3,22,30-triol, 30-Carboxylic acid, 22-ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069422	12-Ursene-3,21,22,28-tetrol, 28-Aldehyde, 3-ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069423	12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069424	13,28-Epoxy-3,16-dihydroxy-30-oleanal, 16-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069425	14,15-Dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal; 29-Deoxy 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069426	15,26,27-Trihydroxylanosta-7,9(11),24-trien-3-one 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069427	16,23:24,25-Diepoxy-11-hydroxyprotost-13(17)-en-3-one 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069428	16,23;24,25-Diepoxy-23-hydroxycycloartan-3-one 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069429	16,28-Dihydroxy-3-oxo-30-friedelanoic acid; 16?-form, 30?28 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069430	2,3,21-Trihydroxy-12-oleanen-28-oic acid, 28 ? 21-Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069431	2,3,24-Trihydroxy-12,27-cyclo-14-taraxeren-28-oic acid, 24-Deoxy 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069432	2,3-Dihydroxy-11,13(18)-oleanadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069433	2,3-Dihydroxy-12,18-ursadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069434	2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069435	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069436	2,3-Dihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069437	2,3-Dihydroxy-5,12-oleanadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069438	2-Hydroxy-3-oxo-12-oleanen-30-oic acid; 2?-form 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069439	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069440	21,23-Epoxy-21,22-dihydroxycycloart-24-en-3-one 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069441	22,29-Dihydroxytirucalla-7,24-diene-3,23-dione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069442	23,25-Epidioxy-16,23-epoxycycloartan-3-one 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069443	24,25-Epoxy-23-hydroxyprotost-13(17)-ene-3,16-dione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069444	25-Hydroxy-13(17)-protostene-3,16,23-trione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069445	26-Hydroxy-1,3-friedelanedione; 26-Carboxylic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069446	26-Hydroxy-13-oxaspiroirid-16-enal; 26-Deoxy 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069447	26-Hydroxy-15-methylidenespiroirid-16-enal 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069448	27(14?15)-Abeo-2,3-dihydroxy-24-nor-4(23),12-ursadien-28-oic acid, Me ester 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069449	28-Hydroxy-3-oxocycloart-24-en-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069450	29-Hydroxy-3-oxotirucalla-7,24-dien-21-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069451	3,11-Dihydroxy-12-ursen-24-oic acid, 11-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069452	3,11-Dihydroxy-12-ursen-28-oic acid, 11-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069453	3,11-Dihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069454	3,11-Dihydroxy-20(22),24-dammaradiene-2,23-dione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069455	3,12,13-Trihydroxy-28-oleananoic acid, 3-Ketone, 28?12 lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069456	3,12,13-Trihydroxy-28-oleananoic acid, 3-Ketone, 28?13 lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069457	3,13,27-Trihydroxy-18-ursen-28-oic acid, 28?13 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069458	3,13-Dihydroxy-11-oleanen-28-oic acid, 11?,12?-Epoxide, 28?13-lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069459	3,13-Dihydroxy-11-oleanen-28-oic acid; 3?-form, 11?,12?-Epoxide, 28?13 lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069460	3,13-Dihydroxy-23-oxo-28-oleananoic acid, 28?13 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069461	3,15,16-Trihydroxy-12-oleanen-28-oic acid, 28?15 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069462	3,15,22-Trihydroxy-12-oleanen-28-oic acid, 28?15 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069463	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069464	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069465	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069466	3,16-Dihydroxy-8-fernene-7,11-dione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069467	3,16-Dihydroxylanosta-7,9(11),24-trien-21-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069468	3,16-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069469	3,19-Dihydroxy-12,20(30)-ursadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069470	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069471	3,19-Dihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069472	3,19-Dihydroxy-5,12-ursadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069473	3,19-Epoxy-3-hydroxy-20,24-dammaradien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069474	3,21,30-Trihydroxy-12-oleanen-28-oic acid, 28?21 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069475	3,21-Dihydroxy-11,13(18)-oleanadien-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069476	3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069477	3,21-Dihydroxy-12-oleanen-28-oic acid, 21-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069478	3,21-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 21-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069479	3,21-Dihydroxy-20(29)-lupen-28-oic acid, 21-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069480	3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069481	3,22-Dihydroxy-12-oleanen-29-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069482	3,22-Dihydroxylanosta-7,9(11),24-trien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069483	3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069484	3,23-Dihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069485	3,23-Dihydroxycycloart-24-en-26-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069486	3,24-Dihydroxy-12-oleanen-28-oic acid, 24-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069487	3,24-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069488	3,24-Dihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069489	3,24-Dihydroxy-9(11),12-oleanadien-30-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069490	3,24-Dioxo-29-friedelanoic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069491	3,25-Dihydroxy-12-oleanen-30-oic acid, 25-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069492	3,25-Dihydroxy-12-oleanen-30-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069493	3,25-Dihydroxy-18-oleanen-30-oic acid, 25-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069494	3,25-Epoxy-3-hydroxy-12-oleanen-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069495	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069496	3,27-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069497	3,27-Dihydroxy-12-ursen-28-oic acid, 27-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069498	3,28-Dihydroxy-12,20-ursadien-23-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069499	3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form, 29-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069500	3,29-Dihydroxy-12-oleanen-28-oic acid, 29-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069501	3,29-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069502	3,30-Dihydroxy-12-oleanen-28-oic acid, 30-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069503	3,30-Dihydroxy-20(29)-lupen-28-oic acid, 29-Aldehyde 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069504	3,30-Dihydroxy-20(29)-lupen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069505	3,4-Seco-4(23),12-oleanadiene-3,29-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069506	3,4-Seco-4(23),12-oleanadiene-3,30-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069507	3,4-Seco-4(23),7-multifloradiene-3,29-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069508	3,4-Seco-4(23),8-multifloradiene-3,29-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069509	3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069510	3,4-Secodammara-4(28),20,24-triene-3,26-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069511	3,4-Secolanosta-4(28),8,24-triene-3,21-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069512	3,4-Secotirucalla-4(28),7,24-triene-3,21-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069513	3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069514	3,6-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069515	3,6-Dihydroxy-18-oleanen-28-oic acid, 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069516	3-Hydroxy-1-oxo-12-oleanen-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069517	3-Hydroxy-11-oxo-12-oleanen-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069518	3-Hydroxy-11-oxo-12-oleanen-29-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069519	3-Hydroxy-11-oxo-12-oleanen-30-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069520	3-Hydroxy-12-oxo-9(11)-oleanen-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069521	3-Hydroxy-2-oxo-12-oleanen-30-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069522	3-Hydroxy-2-oxo-3-friedelen-29-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069523	3-Hydroxy-21-oxoeupha-8,24-dien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069524	3-Hydroxy-23-oxo-12-oleanen-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069525	3-Hydroxy-23-oxocycloart-24-en-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069526	3-Hydroxy-23-oxolanosta-9(11),16-dien-26-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069527	3-Hydroxyholost-9(11)-en-23-one 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069528	4-Hydroxy-3,4-seco-12-oleanene-3,28-dioic acid; 5?H-form, 3?4-Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069529	4-Hydroxy-3,4-seco-12-oleanene-3,28-dioic acid; 5àH-form, 3?4 Lactone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069530	6,28-Dihydroxy-12-oleanene-3,11-dione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069531	6,28-Dihydroxy-12-ursene-3,11-dione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069532	6,28-Dihydroxy-20(29)-lupen-3-one, 28-Carboxylic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069533	6,28-Dihydroxy-20(29)-lupen-3-one; 6?-form, 28-Carboxylic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069534	6-Hydroxy-3,16,21-friedelanetrione 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069535	9-Hydroxy-3-oxo-12-ursen-28-oic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069536	Abiesolidic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069537	Ailanthol 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069538	Colubrinic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069539	Coronalolic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069540	Cycloorbigenin A 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069541	Dysonone B 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069542	Gouanogenin A 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069543	Holost-7-ene-3,23-diol, 25,26-Didehydro 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069544	Holosta-8,25-dien-3-ol 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069545	Holothurinogenin 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069546	Hyptadienic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069547	Kadsuric acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069548	Koellikerigenin 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069549	Kulonic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069550	Lansic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069551	Lantabetulic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069552	Lantic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069553	Limatulone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069554	Manwuweizic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069555	Mariesiic acid A 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069556	Mariesiic acid B 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069557	Melianol; 1,2-Didehydro 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069558	Melianol; 3-Ketone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069559	Mispyric acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069560	Naurol A 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069561	Neokadsuranic acid C 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069562	Nimbocinone 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069563	Semimoronic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069564	Simplexol 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069565	Sodwanone R 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069566	Stoloniferone B; 22,23-Dihydro, Ac 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069567	Stryphnodendron Saponin K 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069568	Testudinariol A 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MJ069569	?-Ilexanolic acid 	C30H46O4	470.339609	NA	MeJP	NA	NA
+MetaCyc03661	glycyrrhetinate []	C30H46O4	470.33961	1449-05-4	metacyc	NA	NA
+MetaCyc03662	3-&alpha;-hydroxyglycyrrhetinate []	C30H46O4	470.33961	NA	metacyc	NA	NA
+PJ002126	LLLL 	C24H46N4O5	470.3468	NA	PeJP	NA	NA
+MJ069570	Pachystermine A; 16?-Hydroxy, 2,3-didehydro 	C29H46N2O3	470.350843	NA	MeJP	NA	NA
+C13044	Tricaprilin	C27H50O6	470.3607	NA	KEGG	NA	NA
+C13045	Transferred to D01588	C27H50O6	470.3607	NA	KEGG	NA	NA
+C13046	Transferred to D01589	C27H50O6	470.3607	NA	KEGG	NA	NA
+C13047	Transferred to D01590	C27H50O6	470.3607	NA	KEGG	NA	NA
+HMDB11187	TG(8:0/8:0/8:0)	C27H50O6	470.360748	NA	HMDB2010	NA	NA
+MJ069591	Lithocarpdiol; 3-Ketone 	C31H50O3	470.3759	NA	MeJP	NA	NA
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	HMDB	NA	NA
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	Inhouse_PFEM	NA	NA
+MJ069571	14-Serratene-3,21,29-triol, 3-Me ether, 29-aldehyde 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069572	14-Serratene-3,21,30-triol, 21-Ketone, 3-Me ether 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069573	14-Serratene-3,21,30-triol, 30-Aldehyde, 3-Me ether 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069574	14-Serratene-3,21-diol, 21-Ketone, 3-Me ether, 14?,15?-epoxide 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069575	20(29)-Lupene-3,24-diol, 24-Carboxylic acid, Me ester 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069576	20,24-Epoxy-3,4-seco-4(28),25-dammaradien-3-oic acid, Me ester 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069577	21,24-Epoxy-3-hydroxy-24-methyllanost-9(11)-en-2-one 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069578	24-Methylenelanost-8-ene-3,21-diol, 21-Carboxylic acid 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069579	3,13-Dihydroxy-11-ursen-28-oic acid, 28-Alcohol, 3-ketone, 28-Me ether 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069580	3,21-Dihydroxy-14-serraten-16-one, 3-Me ether 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069581	3,28-Friedelanediol; 3?-form, 3-Ketone, 28-carboxylic acid, Me ester 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069582	3-Hydroxy-12-ursen-28-oic acid, Me ester 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069583	3-Hydroxy-18-oleanen-28-oic acid; 3?-form, Me ester 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069584	3-Hydroxy-20(29)-lupen-28-oic acid, Me ester 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069585	3-Hydroxycycloartan-26,23-olide, 3-Me ether 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069586	3-Hydroxylanosta-7,24-dien-26,23-olide, 3-Me ether, 24,25R-dihydro 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069587	5,19-Epoxycucurbita-6,23-diene-3,25-diol, O25-Me 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069588	Alnuselide 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069589	Ambolic acid 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069590	Iripallidal; 26-Deoxy 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069592	Pisolactone 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069593	Polyporenic acid D 	C31H50O3	470.375995	NA	MeJP	NA	NA
+MJ069594	Reduced Vitamin K 	C31H50O3	470.375995	NA	MeJP	NA	NA
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR009	phylloquinone	C31H50O3	470.375995	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR009	phylloquinone	C31H50O3	470.376	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR009	phylloquinone	C31H50O3	470.376	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR009	phylloquinone	C31H50O3	470.376	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR009	phylloquinone	C31H50O3	470.376	Wishlist	Inhousejuil11	NA	NA
+C14495	Eburicoic acid	C31H50O3	470.376	NA	KEGG	NA	NA
+HMDB04198	Reduced Vitamin K (phylloquinone)	C31H50O3	470.376007	NA	HMDB2010	NA	NA
+HMDB04198	Reduced Vitamin K (phylloquinone)	C31H50O3	470.37601	http://www.hmdb.ca/metabolites/HMDB04198	HMDB	NA	NA
+HMDB04198	Reduced Vitamin K (phylloquinone)	C31H50O3	470.37601	HMDB04198	PFEM_hmdb_metabocards_official	NA	NA
+MJ069595	Cycloxobuxine I; N20,N20-Di-Me, N3-(2-methylpropanoyl) 	C30H50N2O2	470.387228	NA	MeJP	NA	NA
+MJ069596	Petrosine 	C30H50N2O2	470.387228	NA	MeJP	NA	NA
+MJ069597	Pseudobaleabuxine F 	C30H50N2O2	470.387228	NA	MeJP	NA	NA
+HMDB03442	Cholesteryl pentanoate	C32H54O2	470.41238	http://www.hmdb.ca/metabolites/HMDB03442	HMDB	NA	NA
+MJ069598	12-Ursene-3,11-diol, 11-Et ether 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069599	14,17,20,23,26-Dotriacontapentaenoic acid 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069600	14-Serratene-3,21-diol, Di-Me ether 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069601	22-Hopanol; Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069602	24-Ethylidenelanost-8-ene-3,22-diol 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069603	24-Hydroxy-24,25-dimethyllanost-9(11)-en-3-one 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069604	29-Hopaneacetic acid 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069605	29-Hopanol, Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069606	3,4-Secodammara-4,24-dien-3-ol; Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069607	3-Friedelanol, Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069608	3-Friedelanol; 3?-form, Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069609	3-Gammaceranol, Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069610	3-Hopanol, Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069611	9(11)-Lemmaphyllen-3-ol, Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069612	Cycloartanol; Ac 	C32H54O2	470.41238	NA	MeJP	NA	NA
+MJ069613	Homohopanoic acid 	C32H54O2	470.41238	NA	MeJP	NA	NA
+HMDB03442	Cholesteryl pentanoate	C32H54O2	470.41238	HMDB03442	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03442	CE(5:0)	C32H54O2	470.412384	NA	HMDB2010	NA	NA
+C08627	Hopane-29-acetate	C32H54O2	470.4124	NA	KEGG	NA	NA
+5477	antibacterial peptide from cathepsin G (human)	HPQYNQR	470.71645	MH2+	Inhouse_peptide	NA	peptide
+2923	neuropeptide from eyestalk of Macrobrachium rosenb	APALRLRF~	470.79	MH2+	Inhouse_peptide	NA	peptide
+MJ069614	Tiotropium(1+); Bromide 	C19H22BrNO4S2	471.017362	NA	MeJP	NA	NA
+C08103	Cefmetazole	C15H17N7O5S3	471.0453	NA	KEGG	NA	NA
+MJ069615	Cefmetazole 	C15H17N7O5S3	471.045328	NA	MeJP	NA	NA
+MJ069616	Cefotaxime; S5-Oxide 	C16H17N5O8S2	471.051853	NA	MeJP	NA	NA
+C15625	GW 0742	C21H17F4NO3S2	471.0586	NA	KEGG	NA	NA
+MJ069617	Clamikalant 	C19H22ClN3O5S2	471.068939	NA	MeJP	NA	NA
+PJ002127	GSCCC 	C14H25N5O7S3	471.0916	NA	PeJP	NA	NA
+MJ069618	Eptaplatin 	C11H20N2O6Pt	471.09691	NA	MeJP	NA	NA
+MJ069619	Zeniplatin 	C11H20N2O6Pt	471.09691	NA	MeJP	NA	NA
+MJ069620	3-[2-[2-Chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid 	C28H22ClNO4	471.123735	NA	MeJP	NA	NA
+MJ069621	Rufulamide 	C22H21N3O9	471.127779	NA	MeJP	NA	NA
+MJ069622	Oximonam; 2-(1,1-Dimethylethoxy)-2-oxoethyl ester 	C18H25N5O8S	471.142383	NA	MeJP	NA	NA
+C03204	10-Formyldihydrofolate	C20H21N7O7	471.1502	NA	KEGG	NA	NA
+HMDB06485	10-formyldihydrofolate	C20H21N7O7	471.150238	NA	HMDB2010	NA	NA
+MetaCyc03663	10-formyldihydrofolate []	C20H21N7O7	471.150246	NA	metacyc	NA	NA
+MJ069623	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; Tri-Me ether, N-?-D-glucopyranosyl 	C24H25NO9	471.152931	NA	MeJP	NA	NA
+MJ069624	Sevanine; O-?-D-Glucopyranoside 	C24H25NO9	471.152931	NA	MeJP	NA	NA
+PJ002128	SNDH 	C17H25N7O9	471.1714	NA	PeJP	NA	NA
+PJ002129	GQMH 	C18H29N7O6S	471.19	NA	PeJP	NA	NA
+MJ069625	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose 	C18H33NO13	471.19519	NA	MeJP	NA	NA
+MJ069626	?-L-Rhamnopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?2)-L-rhamnose 	C18H33NO13	471.19519	NA	MeJP	NA	NA
+PJ002130	GSPPD 	C19H29N5O9	471.1966	NA	PeJP	NA	NA
+MJ069627	1-[(4-Chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-?,?-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid 	C27H34ClNO2S	471.199877	NA	MeJP	NA	NA
+PJ002131	GCHR 	C17H29N9O5S	471.2013	NA	PeJP	NA	NA
+MJ069628	Dabigatran 	C25H25N7O3	471.201887	NA	MeJP	NA	NA
+PJ002132	STQH 	C18H29N7O8	471.2078	NA	PeJP	NA	NA
+MJ069629	Sinapine; O-?-D-Glucopyranoside 	C22H34NO10(+)	471.210446	NA	MeJP	NA	NA
+MJ069630	Seganserin 	C29H27F2N3O	471.212218	NA	MeJP	NA	NA
+PJ002133	PPQM 	C20H33N5O6S	471.2152	NA	PeJP	NA	NA
+C01610	Puromycin	C22H29N7O5	471.223	NA	KEGG	NA	NA
+C01612	Secondary alcohol	CH2OR2	471.223	NA	KEGG	NA	NA
+MJ069631	Puromycin 	C22H29N7O5	471.223017	NA	MeJP	NA	NA
+MetaCyc03664	puromycin []	C22H29N7O5	471.223017	NA	metacyc	NA	NA
+MJ069632	Hetisan-2,11,13,14-tetrol, 2,11,13-Tri-Ac 	C26H33NO7	471.225702	NA	MeJP	NA	NA
+PJ002134	PPCR 	C19H33N7O5S	471.2264	NA	PeJP	NA	NA
+PJ002135	PVQE 	C20H33N5O8	471.2329	NA	PeJP	NA	NA
+PJ002136	APER 	C19H33N7O7	471.2442	NA	PeJP	NA	NA
+MJ069633	Lanomycin; N-?-D-Glucopyranosyl 	C23H37NO9	471.246831	NA	MeJP	NA	NA
+PJ002137	GPLW 	C24H33N5O5	471.2482	NA	PeJP	NA	NA
+PJ002138	PPKM 	C21H37N5O5S	471.2516	NA	PeJP	NA	NA
+MJ069634	Tubulosine, 1',2',3',4'-Tetradehydro 	C29H33N3O3	471.252191	NA	MeJP	NA	NA
+EUR812	Lyso PE 14:0 [M+FA-H]-	C19H40NO7P	471.259122	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR812	Lyso PE 14:0 [M+FA-H]-	C19H40NO7P	471.259122	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR812	Lyso PE 14:0 [M+FA-H]-	C19H40NO7P	471.259122	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR812	Lyso PE 14:0 [M+FA-H]-	C19H40NO7P	471.259122	masses lipides attendues	Inhousejuil11	NA	NA
+MJ069635	Antibiotic AD 26-1; 5-O-Carbamoyl 	C27H37NO6	471.262087	NA	MeJP	NA	NA
+MJ069636	Icumazole F 	C27H37NO6	471.262087	NA	MeJP	NA	NA
+MJ069637	Memnobotrin A; N-(2-Hydroxyethyl) 	C27H37NO6	471.262087	NA	MeJP	NA	NA
+MJ069638	Yuzurimine; Deoxy 	C27H37NO6	471.262087	NA	MeJP	NA	NA
+PJ002139	PVKE 	C21H37N5O7	471.2693	NA	PeJP	NA	NA
+MJ069639	Amantanium(1+); Bromide 	C25H46BrNO2	471.271192	NA	MeJP	NA	NA
+PJ002140	SPLR 	C20H37N7O6	471.2806	NA	PeJP	NA	NA
+PJ002141	VLLQ 	C22H41N5O6	471.3057	NA	PeJP	NA	NA
+8113	peptide derived from sardinelle by-products proteins (Sardinella aurita)	LARL	471.306	neuropeptide	Inhouse_peptide	NA	peptide
+C07463	Terfenadine	C32H41NO2	471.3137	NA	KEGG	NA	NA
+MJ069640	Terfenadine 	C32H41NO2	471.313729	NA	MeJP	NA	NA
+PJ002142	ALLR 	C21H41N7O5	471.3169	NA	PeJP	NA	NA
+MJ069641	Korsine; O20-Ac 	C29H45NO4	471.334858	NA	MeJP	NA	NA
+MJ069642	Piericidin; Piericidin A4, 10'-Me ether 	C29H45NO4	471.334858	NA	MeJP	NA	NA
+MJ069643	Veralosidinine 	C29H45NO4	471.334858	NA	MeJP	NA	NA
+HMDB06510	Cervonyl carnitine	C29H45NO4	471.334869	NA	HMDB2010	NA	NA
+HMDB06510	Cervonyl carnitine	C29H45NO4	471.33487	http://www.hmdb.ca/metabolites/HMDB06510	HMDB	NA	NA
+HMDB06510	Cervonyl carnitine	C29H45NO4	471.33487	HMDB06510	PFEM_hmdb_metabocards_official	NA	NA
+PJ002143	VLLK 	C23H45N5O5	471.3421	NA	PeJP	NA	NA
+MJ069644	Dysideathiazole; N-Me 	C14H18Cl6N2OS	471.9271	NA	MeJP	NA	NA
+MJ069645	Mercury(II) cyanide oxide 	C2Hg2N2O	471.942313	NA	MeJP	NA	NA
+MJ069646	Dysamide A; 4''-Hydroxy, 1',3-didehydro(E-), 	C14H18Cl6N2O3	471.944858	NA	MeJP	NA	NA
+MJ069647	Dysamide A; 6?-Hydroxy, 1',3-didehydro(E-) 	C14H18Cl6N2O3	471.944858	NA	MeJP	NA	NA
+MJ069648	Dysamide A; 6?-Hydroxy, 1',3-didehydro(Z-) 	C14H18Cl6N2O3	471.944858	NA	MeJP	NA	NA
+MJ069649	2,5-Bis(6-bromo-3-indolyl)piperazine 	C20H18Br2N4	471.989821	NA	MeJP	NA	NA
+MJ069650	2,10-Dibromo-3-chloro-5,7-chamigranediol; 5-Ac 	C17H27Br2ClO3	472.001547	NA	MeJP	NA	NA
+MJ069651	Caespitol; Ac 	C17H27Br2ClO3	472.001547	NA	MeJP	NA	NA
+MJ069652	Fumarprotocetraric acid 	C22H16O12	472.064175	NA	MeJP	NA	NA
+MJ069653	Neoclauxin 	C26H16O9	472.079432	NA	MeJP	NA	NA
+MJ069654	Oganomycin GG 	C16H20N6O7S2	472.083488	NA	MeJP	NA	NA
+MJ069655	5,6,7,8-Tetrahydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C19H20O14	472.085305	NA	MeJP	NA	NA
+MJ069656	Folipastatin; 7-Bromo, 3-Me ether 	C24H25BrO5	472.088536	NA	MeJP	NA	NA
+MJ069657	Bofumustine 	C18H21ClN4O9	472.099705	NA	MeJP	NA	NA
+FL63AGNS0005	Epigallocatechin 3-O-(3-O-methylgallate)	C23H20O11	472.10056	83104-87-4	knapsack	NA	NA
+MJ069658	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(3,4-Dihydroxy-5-methoxybenzoyl) 	C23H20O11	472.100561	NA	MeJP	NA	NA
+MJ069659	Tetracenomycin C 	C23H20O11	472.100561	NA	MeJP	NA	NA
+C06801	Tetracenomycin C	C23H20O11	472.1006	NA	KEGG	NA	NA
+MJ069660	Bromovulone I; Iodine analogue 	C21H29IO4	472.111052	NA	MeJP	NA	NA
+C06491	Compound WIN VIII	C21H26Cl2N2O6	472.1168	NA	KEGG	NA	NA
+MJ069661	6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H24O13	472.12169	NA	MeJP	NA	NA
+MJ069662	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H24O13	472.12169	NA	MeJP	NA	NA
+MJ069663	Clofazimine 	C27H22Cl2N4	472.122152	NA	MeJP	NA	NA
+C06915	Clofazimine	C27H22Cl2N4	472.1222	NA	KEGG	NA	NA
+FLIA1AGS0011	Formononetin 7-O-(6''-acetylglcoside)	C24H24O10	472.13694	120727-10-8	knapsack	NA	NA
+MJ069664	3-(4-Hydroxyphenyl)-2-propenoic acid, O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C24H24O10	472.136946	NA	MeJP	NA	NA
+MJ069665	4-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid; 6-Me ether, 7-O-?-L-rhamnopyranoside 	C24H24O10	472.136946	NA	MeJP	NA	NA
+MJ069666	7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O10	472.136946	NA	MeJP	NA	NA
+MJ069667	?-D-Glucopyranuronosyl-(1?2)-?-D-xylopyranosyl-(1?4)-D-xylose; O4''-Me 	C17H28O15	472.14282	NA	MeJP	NA	NA
+PJ002144	GCMY 	C19H28N4O6S2	472.145	NA	PeJP	NA	NA
+MJ069668	Cefathiamidine 	C19H28N4O6S2	472.145026	NA	MeJP	NA	NA
+MJ069669	9-Benzoyl-2,3-dihydro-3-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-5-phenyl-7H-furo[3,2-g]-1-benzopyran-7-one 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069670	Amurensin A 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069671	Hamilxanthene A 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069672	Hassmarin 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069673	Leachianol F 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069674	Leiocarpin B 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069675	Marchantin C; 2',7?,12-Trihydroxy 	C28H24O7	472.152203	NA	MeJP	NA	NA
+MJ069676	Tricuspidatol A 	C28H24O7	472.152203	NA	MeJP	NA	NA
+PJ002145	SDDH 	C17H24N6O10	472.1554	NA	PeJP	NA	NA
+MJ069677	Dexamethasone; 21-Sulfate 	C22H29FO8S	472.156716	NA	MeJP	NA	NA
+MJ069678	1-O-Cinnamoylglucose; 6-O-?-D-Glucopyranosyl 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069679	3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, 2'-Me ether, 5'-O-(4-hydroxy-3-methoxycinnamoyl)(E) 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069680	3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, 2'-Me ether, 5'-O-(4-hydroxy-3-methoxycinnamoyl)(Z-) 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069681	3-O-?-L-Rhamnopyranosyl-D-glucose; 4-O-(4-Hydroxy-E-cinnamoyl) 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069682	5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene ether, 4-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069683	5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene ether, 4-O-[?-L-arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069684	6-O-?-L-Rhamnopyranosyl-D-glucose; Pyranose-form, 1-O-(4-Hydroxycinnamoyl) 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069685	Allamcidin B; 1-O-?-D-Glucopyranoside 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069686	Sucrose; 6-O-Cinnamoyl(E-) 	C21H28O12	472.158076	NA	MeJP	NA	NA
+MJ069687	Antibiotic OF 4949; Antibiotic OF 4949II 	C22H24N4O8	472.159413	NA	MeJP	NA	NA
+MJ069688	Fluoromethotrexate 	C20H21FN8O5	472.161894	NA	MeJP	NA	NA
+PJ002146	STCY 	C19H28N4O8S	472.1628	NA	PeJP	NA	NA
+MJ069689	Dexamethasone; 21-Phosphate 	C22H30FO8P	472.166232	NA	MeJP	NA	NA
+MJ069690	Dopamine; N-[3-(Carboxyacetylamino)propanoyl], 3-O-?-D-glucopyranoside 	C20H28N2O11	472.169309	NA	MeJP	NA	NA
+FLIAALNF0008	Lupinisoflavone N	C25H28O9	472.17333	128778-66-5	knapsack	NA	NA
+MJ069691	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-Me ether, 13-O-(3-formylphenyl), 8-Ac 	C25H28O9	472.173332	NA	MeJP	NA	NA
+MJ069692	12-O-Acetyl-17-acetoxy-15-epicoleon Z; 17-De-Ac, 17-formyl 	C25H28O9	472.173332	NA	MeJP	NA	NA
+MJ069693	Glomelliferic acid; 2'''-Oxo 	C25H28O9	472.173332	NA	MeJP	NA	NA
+MJ069694	Lupinisoflavone M; 2'-Hydroxy 	C25H28O9	472.173332	NA	MeJP	NA	NA
+MJ069695	Naphthopyranomycin 	C25H28O9	472.173332	NA	MeJP	NA	NA
+PJ002147	GEMH 	C18H28N6O7S	472.174	NA	PeJP	NA	NA
+PJ002148	GCFF 	C23H28N4O5S	472.1781	NA	PeJP	NA	NA
+MJ069696	?-D-Mannopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-L-rhamnose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069697	?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-L-rhamnose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069698	Digilanidotriose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069699	Strophanthobiose; Pyranose-form, 3-De-Me, 6'-?-D-glucopyranosyl 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069700	Viridotriose C 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069701	?-D-Fucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-D-mannose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069702	?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-L-rhamnose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069703	?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-L-rhamnose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069704	?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069705	?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069706	?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-L-fucose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+MJ069707	?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-D-galactose 	C18H32O14	472.179205	NA	MeJP	NA	NA
+HMDB01534	5-Formiminotetrahydrofolic acid	C20H24N8O6	472.18188	http://www.hmdb.ca/metabolites/HMDB01534	HMDB	NA	NA
+HMDB01534	5-Formiminotetrahydrofolic acid	C20H24N8O6	472.18188	HMDB01534	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc03665	5-formiminotetrahydrofolate [5-formimidoyltetrahydrofolate;]	C20H24N8O6	472.181881	2311-81-1	metacyc	NA	NA
+MetaCyc03666	5-formimino-THF [n5-formiminotetrahydrofolate;n5-formimino-THF;]	C20H24N8O6	472.181881	NA	metacyc	NA	NA
+HMDB01534	5-Formiminotetrahydrofolic acid	C20H24N8O6	472.181885	NA	HMDB2010	NA	NA
+C00664	5-Formiminotetrahydrofolate	C20H24N8O6	472.1819	NA	KEGG	NA	NA
+7551	ACE inhibitor	YQY	472.184	antioxidative	Inhouse_peptide	NA	peptide
+7948	synthetic peptide	YYQ	472.184	ACE inhibitor	Inhouse_peptide	NA	peptide
+7966	synthetic peptide	QYY	472.184	antioxidative	Inhouse_peptide	NA	peptide
+7969	synthetic peptide	YQY	472.184	antioxidative	Inhouse_peptide	NA	peptide
+MJ069708	11,12-Methylenedioxykopsinaline; 21-Hydroxy, N-methoxycarbonyl 	C24H28N2O8	472.184565	NA	MeJP	NA	NA
+MJ069709	11,12-Methylenedioxykopsinaline; N-Methoxycarbonyl, N4-oxide 	C24H28N2O8	472.184565	NA	MeJP	NA	NA
+MJ069710	Kopsaporine; 11-Hydroxy, 12-methoxy 	C24H28N2O8	472.184565	NA	MeJP	NA	NA
+MJ069711	Kopsaporine; 14?,15?-Epoxy, 12-methoxy 	C24H28N2O8	472.184565	NA	MeJP	NA	NA
+MJ069712	Kopsidine A; 15-O-De-Me 	C24H28N2O8	472.184565	NA	MeJP	NA	NA
+MJ069713	Paleatin A 	C29H28O6	472.188588	NA	MeJP	NA	NA
+PJ002149	MHW 	C22H28N6O4S	472.1893	NA	PeJP	NA	NA
+PJ002150	STEH 	C18H28N6O9	472.1918	NA	PeJP	NA	NA
+MJ069714	2-Methoxy-4-(2-propenyl)phenol; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H32O11	472.194461	NA	MeJP	NA	NA
+MJ069715	8-Decene-4,6-diyn-1-ol, O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C22H32O11	472.194461	NA	MeJP	NA	NA
+MJ069716	Biphenomycin A; 7-Deoxy 	C23H28N4O7	472.195799	NA	MeJP	NA	NA
+PJ002151	QYY 	C23H28N4O7	472.1958	NA	PeJP	NA	NA
+PJ002152	PPEM 	C20H32N4O7S	472.1992	NA	PeJP	NA	NA
+MJ069717	Antibiotic LL-AC 541 	C17H28N8O8	472.203009	NA	MeJP	NA	NA
+PJ002153	GPNW 	C22H28N6O6	472.2071	NA	PeJP	NA	NA
+C02027	Deoxylimonate	C26H32O8	472.2097	NA	KEGG	NA	NA
+C02028	Dicarboxylate	C2H2O4	472.2097	NA	KEGG	NA	NA
+C08852	Bryophyllin A	C26H32O8	472.2097	NA	KEGG	NA	NA
+FL4DALNI0006	Kushenol H	C26H32O8	472.20971	99119-70-7	knapsack	NA	NA
+FL4DALNI0007	Kushenol K	C26H32O8	472.20971	101236-49-1	knapsack	NA	NA
+MJ069718	1,3,5,14,16-Pentahydroxy-19-oxobufa-20,22-dienolide, 1,3,5-Orthoacetate 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069719	1,3,6-Trihydroxy-4,11(13)-eudesmadien-12,8-olide, 6-(2-Methylpropenoyl), 1-tigloyl, 3-Ac 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069720	1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl]-1-butanone 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069721	14,15-Epoxy-3,5,16-trihydroxy-19-oxobufa-20,22-dienolide, 16-Ac 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069722	17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione; 16?-form, 21-(3-Carboxypropanoyl) 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069723	2(3?20)-Abeo-2,10,13-trihydroxy-4(20),6,11-taxatriene-5,9-dione, Tri-Ac 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069724	3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 1?,2?-Epoxy, 6-Ac 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069725	6,15,20-Trihydroxy-2,16-kauradiene-1,7-dione, Tri-Ac 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069726	Binankadsurin A; 7-Butanoyl 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069727	Binankadsurin A; 7-O-(2-Methylpropanoyl) 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069728	Bryotoxin B; 12-Deoxo, 19-aldehyde 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069729	Colensoic acid; 4-Methoxy 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069730	Ivorensic acid 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069731	Kushenol H 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069732	Nomilinic acid; Lactone, O-de-Ac 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069733	Olivetoric acid 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069734	Subconfluentic acid 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MJ069735	Tricoccin S35 	C26H32O8	472.209718	NA	MeJP	NA	NA
+MetaCyc03667	deoxylimonate [deoxylimonic acid;]	C26H32O8	472.209718	NA	metacyc	NA	NA
+PJ002154	SVMH 	C19H32N6O6S	472.2104	NA	PeJP	NA	NA
+MJ069736	Chrestifoline B 	C32H28N2O2	472.215078	NA	MeJP	NA	NA
+MJ069737	Murrafoline E 	C32H28N2O2	472.215078	NA	MeJP	NA	NA
+PJ002155	PVEE 	C20H32N4O9	472.217	NA	PeJP	NA	NA
+7651	ACE inhibitor from wakame	YKY	472.22	antioxidative	Inhouse_peptide	NA	peptide
+7653	ACE inhibitor from wakame	KYY	472.22	antioxidative	Inhouse_peptide	NA	peptide
+7931	synthetic peptide	KYY	472.22	antioxidative	Inhouse_peptide	NA	peptide
+7934	synthetic peptide	YKY	472.22	antioxidative	Inhouse_peptide	NA	peptide
+7937	synthetic peptide	YYK	472.22	antioxidative	Inhouse_peptide	NA	peptide
+MJ069738	13-Hydroxylupanine; O-(3-Formyloxy-4,5-dimethoxybenzoyl) 	C25H32N2O7	472.220951	NA	MeJP	NA	NA
+MJ069739	Bometolol 	C25H32N2O7	472.220951	NA	MeJP	NA	NA
+MJ069740	Kopsinaline; 11,12-Dimethoxy, N-(methoxycarbonyl) 	C25H32N2O7	472.220951	NA	MeJP	NA	NA
+FL2FAANP0007	Euchrenone a14	C30H32O5	472.22497	150998-92-8	knapsack	NA	NA
+FL2FAANP0008	Euchrenone a15	C30H32O5	472.22497	150998-93-9	knapsack	NA	NA
+MJ069741	Euchrenone a11; 2'-Deoxy 	C30H32O5	472.224974	NA	MeJP	NA	NA
+MJ069742	Euchrenone a12; 2'-Deoxy 	C30H32O5	472.224974	NA	MeJP	NA	NA
+MJ069743	Tazifylline 	C23H32N6O3S	472.225659	NA	MeJP	NA	NA
+PJ002156	PNDK 	C19H32N6O8	472.2282	NA	PeJP	NA	NA
+MJ069744	4-[[1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]thio]benzoic acid 	C27H36O5S	472.228344	NA	MeJP	NA	NA
+3364	ACE inhibitor	HGLF	472.231	celiac toxic	Inhouse_peptide	NA	peptide
+5	Sarcoplasmic	GFHI	472.232	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002157	KYY 	C24H32N4O6	472.2322	NA	PeJP	NA	NA
+MJ069745	Hypothallin 	C29H32N2O4	472.236207	NA	MeJP	NA	NA
+PJ002158	SPNR 	C18H32N8O7	472.2394	NA	PeJP	NA	NA
+PJ002159	GLHF 	C23H32N6O5	472.2434	NA	PeJP	NA	NA
+MJ069746	1(10),4(15)-Bicyclogermacradiene-2,3,5-triol, 2-(3-(4-Hydroxy-3-methoxyphenyl)propanoyl), 3-Ac 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069747	1,9,15-Heptadecatriene-11,13-diyn-8-ol, 8-(2,3-Di-O-acetyl-L-rhamnoside) 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069748	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 11?,12?-Epoxide, 2-(3-methyl-2-butenoyl), 14-Ac 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069749	8,10,12-Trihydroxy-3-longipinen-5-one, 12-Angeloyl, 8-(3-methyl-2-butenoyl), 10-Ac 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069750	8,10,12-Trihydroxy-3-longipinen-5-one, 8,12-Diangeloyl, 10-Ac 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069751	8,9,10-Trihydroxy-3-longipinen-5-one, 8,10-Diangeloyl, 9-Ac 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069752	8-Daucene-2,4,6-triol, 6-(3,4-Dihydroxybenzoyl), 2-angeloyl 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069753	9-Methoxystrobilurin L 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069754	Anziaic acid; Tri-Me ether 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069755	Hyperlatolic acid 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069756	Ingenol; 20-Deoxy, 16-acetoxy, 3-angeloyl 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069757	Ingenol; 3-Angeloyl, 20-Ac 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069758	Isohyperlatolic acid 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069759	Lucidenic acid M; 3,7,15-Triketone, 12?-hydroxy 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069760	Methylprednisolone; 21-Ac, 17-propanoyl 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069761	Odyendene; 4?,27-Dihydro 	C27H36O7	472.246103	NA	MeJP	NA	NA
+MJ069762	Strobilurin I; 4-Methoxy, 2''-O-(1,1-dimethyl-2-propenyl) 	C27H36O7	472.246103	NA	MeJP	NA	NA
+HMDB02586	Chenodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02586	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02642	Ursodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02642	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02522	Chenodeoxycholic acid sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02522	HMDB	NA	NA
+HMDB02586	Chenodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02586	HMDB	NA	NA
+HMDB02642	Ursodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02642	HMDB	NA	NA
+HMDB02586	Chenodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02586	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02642	Ursodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	http://www.hmdb.ca/metabolites/HMDB02642	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02522	Chenodeoxycholic acid sulfate	C24H40O7S	472.24948	HMDB02522	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02586	Chenodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	HMDB02586	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02642	Ursodeoxycholic acid 3-sulfate	C24H40O7S	472.24948	HMDB02642	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02522	Chenodeoxycholic acid sulfate	C24H40O7S	472.249481	NA	HMDB2010	NA	NA
+HMDB02586	Chenodeoxycholic acid 3-sulfate	C24H40O7S	472.249481	NA	HMDB2010	NA	NA
+HMDB02642	Ursodeoxycholic acid 3-sulfate	C24H40O7S	472.249481	NA	HMDB2010	NA	NA
+MJ069763	Sulukast 	C25H36N4O3S	472.250811	NA	MeJP	NA	NA
+PJ002160	PTQK 	C20H36N6O7	472.2646	NA	PeJP	NA	NA
+PJ002161	PPLF 	C25H36N4O5	472.2686	NA	PeJP	NA	NA
+PJ002162	PLLM 	C22H40N4O5S	472.272	NA	PeJP	NA	NA
+PJ002163	GLQR 	C19H36N8O6	472.2758	NA	PeJP	NA	NA
+MJ069764	14,17,27-Trihydroxy-1-oxowitha-5,24-dienolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069765	14,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069766	4,17,27-Trihydroxy-1-oxowitha-5,24-dienolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069767	5,6,21-Trihydroxy-1-oxowith-24-enolide, 2,3-Didehydro 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069768	5,6-Epoxy-19,27-dihydroxy-1-oxowitha-2,24-dienolide, 2,3-Dihydro 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069769	5,6-Epoxy-4,20-dihydroxy-1-oxowith-2-enolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069770	5,6-Epoxy-4,20-dihydroxy-1-oxowith-24-enolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069771	7,15-Dihydroxy-16-atisen-19-oic acid, 7-Angeloyl, 15-Ac, Me ester 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069772	9,13,20-Trihydroxy-1,6-tigliadien-3-one, 13-(2,3-Dimethylbutanoyl), 20-Ac 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069773	Acnistin G 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069774	Cochlioquinone A; 11-Deoxy, O-de-Ac, 20-ketone 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069775	Cochlioquinone A; 8-Epimer, 11-deoxy, O-de-Ac, 20-ketone 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069776	Deacylcylindrol; 4'-(3-Methylbutanoyl) 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069777	Ixocarpanolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069778	Jaborosalactone D 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069779	Jaborosalactone O 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069780	Macrocarpal B 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069781	Macrocarpal D 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069782	Macrocarpal E 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069783	Nic 2; 17-Deoxy,17-epimer 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069784	Usneoidol E 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069785	Vamonolide 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069786	Withafastuosin A 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069787	Withaferin A; 2,3-Dihydro 	C28H40O6	472.282489	NA	MeJP	NA	NA
+MJ069788	Protomethine; ?1,18(?14,18)-Dehydro, N9-E-cinnamoyl 	C29H37N4O2(+)	472.283826	NA	MeJP	NA	NA
+MJ069789	Protomethine; ?1,18(?14,18)-Dehydro, N9-Z-cinnamoyl 	C29H37N4O2(+)	472.283826	NA	MeJP	NA	NA
+PJ002164	AARR 	C18H36N10O5	472.287	NA	PeJP	NA	NA
+3622	NA	KTPK	472.287	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ069790	Argininylalanylargininylalanine; L-L-L-L-form 	C18H36N10O5	472.287014	NA	MeJP	NA	NA
+PJ002165	VLLE 	C22H40N4O7	472.2897	NA	PeJP	NA	NA
+PJ002166	PTKK 	C21H40N6O6	472.301	NA	PeJP	NA	NA
+MJ069791	13-Labdene-2,6,8,15-tetrol, 6-O-?-L-Arabinopyranoside 	C25H44O8	472.303618	NA	MeJP	NA	NA
+MJ069792	13-Labdene-6,8,15,19-tetrol, 6-O-?-L-Arabinopyranoside 	C25H44O8	472.303618	NA	MeJP	NA	NA
+MJ069793	2-Hydroxy-18-oxo-1,2,3-nonadecanetricarboxylic acid; Tri-Me ester 	C25H44O8	472.303618	NA	MeJP	NA	NA
+MJ069794	Mucronine C 	C26H40N4O4	472.304955	NA	MeJP	NA	NA
+MJ069795	Myrianthine C; N-De-Me 	C26H40N4O4	472.304955	NA	MeJP	NA	NA
+PJ002167	GLKR 	C20H40N8O5	472.3122	NA	PeJP	NA	NA
+MJ069796	1-(2,5-Dihydroxy-3-methylphenyl)-15-hydroxy-3,7,11,15-tetramethyl-2,6-hexadecadiene-5,12-dione, 1',4'-Di-Me ether 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069797	12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 20-Ac 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069798	16,26-Dihydroxycholest-4-ene-3,22-dione, 16-Ac 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069799	17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069800	17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one, 3-Ketone 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069801	17,23-Epoxy-3,29-dihydroxy-27-norlanost-8-ene-15,24-dione 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069802	2,6-Dihydroxy-24-nor-3-oxo-4-friedelen-29-oic acid 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069803	24,25-Epoxy-16-scalarene-12,25-diol, Di-Ac 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069804	24,25-Epoxy-20,24-dimethyl-16-scalarene-3,12,25-triol, 3-Ketone, 12-Ac 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069805	3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid, 23-Aldehyde 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069806	3,29-Dihydroxy-30-nor-20-oxo-28-lupanoic acid, 3-Ketone 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069807	3-Hydroxyspirostan-6-one, Ac 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069808	30(8?9)-Abeo-3,11,16-trihydroxyfusida-7,17(20),24-trien-21-oic acid 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069809	5,19-Epoxy-3-hydroxy-28-nor-11-oxocucurbit-24-en-26-oic acid 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069810	8,12-Epoxy-11(13)-eremophilene-3,8,9-triol, 8-Me ether, 3-(5-methyl-2E,4E,6E-dodecatrienoyl) 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069811	Bifurcarenone, 13,14-Dihydro, 2',5'-di-Me ether 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069812	Comnostin A; 23-Aldehyde, di-Me acetal 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069813	Cystalgerone; 5,13-Dihydro, 5-hydroxy 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069814	Daldinin A; Daldinin A2 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069815	Daldinin A; Daldinin A3, 3,4-Dihydro 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069816	Dendrosterone 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069817	Eucosterol 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069818	Floridic acid 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069819	Luffasterol C; 22,23-Dihydro 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069820	Minabeolide 4; 11?-Acetoxy, 1,2-dihydro 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069821	Minabeolide 4; 18-Acetoxy, 1,2-dihydro 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069822	Norarjunolic acid 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069823	Zosterdiol A 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069824	Zosterdiol B 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069825	Zosterondiol B; 10,11-Dihydro 	C29H44O5	472.318874	NA	MeJP	NA	NA
+MJ069826	6'-Apo-?-caroten-6'-al; Carboxylic acid, Me ester 	C33H44O2	472.33413	NA	MeJP	NA	NA
+MJ069827	6'-Apo-?-caroten-6'-oic acid, Me ester 	C33H44O2	472.33413	NA	MeJP	NA	NA
+MJ069828	Reticulataxanthin 	C33H44O2	472.33413	NA	MeJP	NA	NA
+PJ002168	VVKK 	C22H44N6O5	472.3373	NA	PeJP	NA	NA
+HMDB02392	Maslinic acid	C30H48O4	472.355255	NA	HMDB2010	NA	NA
+HMDB02392	Maslinic acid	C30H48O4	472.35526	http://www.hmdb.ca/metabolites/HMDB02392	HMDB	NA	NA
+MJ069829	1,3,11-Trihydroxygorgost-5-en-18-al 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069830	1,3-Dihydroxy-12-oleanen-29-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069831	1,3-Dihydroxy-12-oleanen-30-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069832	1,3-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069833	1,3-Dihydroxy-14-taraxeren-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069834	1,3-Dihydroxy-20(29)-lupen-26-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069835	1,3-Dihydroxycycloart-24-en-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069836	11,13(18)-Oleanadiene-3,16,21,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069837	11,13(18)-Oleanadiene-3,16,23,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069838	11,13(18)-Oleanadiene-3,21,22,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069839	11,13(18)-Oleanadiene-3,22,23,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069840	11,20-Dihydroxydammar-24-ene-3,23-dione 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069841	11,23,24-Trihydroxydammara-20(22),25-dien-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069842	11,23,24-Trihydroxyprotosta-13(17),25-dien-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069843	12,13-Epoxy-3-hydroxy-28-oleanoic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069844	12,15-Oleanadiene-3,21,22,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069845	12-Oleanene-3,16,22,28-tetrol, 28-Aldehyde 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069846	12-Oleanene-3,16,28,30-tetrol, 28-Aldehyde 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069847	12-Oleanene-3,16,28,30-tetrol, 30-Aldehyde 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069848	12-Oleanene-3,22,24,30-tetrol, 22-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069849	12-Ursene-3,21,22,28-tetrol, 28-Aldehyde 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069850	12-Ursene-3,21,22,28-tetrol, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069851	12-Ursene-3,21,28-triol, 28-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069852	13,28-Epoxy-11-oleanene-3,16,23-triol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069853	13,28-Epoxy-3,16,23-oleananetriol, 16-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069854	13,28-Epoxy-3,16,30-oleananetriol, 16-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069855	13,28-Epoxy-3,16-dihydroxy-30-oleanal 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069856	13,28-Epoxy-3,22-dihydroxyoleanan-30-al 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069857	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069858	2,24,25-Trihydroxytirucalla-1,7-dien-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069859	2,3,13-Trihydroxy-28-oleananoic acid, 28?13 Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069860	2,3,20-Trihydroxy-28-taraxastanoic acid, 28?20-Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069861	2,3,28-Friedelanetriol, 28-Carboxylic acid, 2-ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069862	2,3,28-Friedelanetriol, 28-Carboxylic acid, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069863	2,3-Dihydroxy-12-oleanen-23-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069864	2,3-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069865	2,3-Dihydroxy-12-ursen-23-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069866	2,3-Dihydroxy-12-ursen-24-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069867	2,3-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069868	2,3-Dihydroxy-13(18)-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069869	2,3-Dihydroxy-14-taraxeren-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069870	2,3-Dihydroxy-29-friedelanoic acid; 2?-form, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069871	2,3-Dihydroxy-29-friedelanoic acid, 2-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069872	2,3-Dihydroxy-9(11)-fernen-23-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069873	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethoxy-2-nonadecyl-4H-1-benzopyran-4-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069874	2-Heneicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069875	20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069876	20(29)-Lupene-3,16,28-triol, 28-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069877	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069878	20(29)-Lupene-3,23,28-triol; 3?-form, 28-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069879	20(30)-Lupene-1,3,11,29-tetrol, 29-Aldehyde 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069880	21,23-Epoxycycloart-24-ene-3,21,22-triol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069881	21-Hydroxy-3-oxo-28-friedelanoic acid; 21?-form 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069882	23,24-Epoxy-16,25-dihydroxycycloartan-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069883	24,25-Dihydroxylanost-8-ene-3,7-dione; 24S-form 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069884	24,25-Epoxy-1,23-dihydroxytirucall-7-en-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069885	24,25-Epoxy-11,23-dihydroxydammar-20(22)-en-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069886	24,25-Epoxy-23,29-dihydroxytirucall-7-en-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069887	24,25-Epoxy-7,26-dihydroxylanost-8-en-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069888	24,25-Epoxy-7,26-hydroxylanost-8-en-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069889	28,29-Dihydroxy-3-friedelanone; 28-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069890	3,11,13-Trihydroxy-12-oleananone, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069891	3,11-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069892	3,11-Dihydroxy-20(29)-lupen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069893	3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one, 11-Ac 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069894	3,13,16-Trihydroxy-28-oleananoic acid, 28?13 Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069895	3,13-Dihydroxy-11-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069896	3,13-Dihydroxy-20(29)-lupen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069897	3,15-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069898	3,15-Dihydroxylanosta-8,24-dien-21-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069899	3,16,28-Trihydroxy-12-oleanen-21-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069900	3,16-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069901	3,16-Dihydroxy-13(18)-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069902	3,16-Dihydroxylanosta-8,24-dien-21-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069903	3,19,27-Trihydroxy-28-oleananoic acid, 28?19 Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069904	3,19-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069905	3,19-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069906	3,20,21,28-Lupanetetrol, 28-Carboxylic acid, 28 ?21 lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069907	3,20,23-Trihydroxy-28-taraxastanoic acid, 28?20-Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069908	3,20,27-Trihydroxy-28-taraxastanoic acid, 28?20-Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069909	3,20,27-Trihydroxy-28-ursanoic acid, 28?20 Lactone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069910	3,20,28-Lupanetriol, 28-Carboxylic acid, 3-ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069911	3,20-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069912	3,20-Dihydroxy-18-lupen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069913	3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid, 20-Me ether 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069914	3,21,24-Trihydroxy-14-serraten-16-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069915	3,21-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069916	3,21-Dihydroxy-14-serraten-24-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069917	3,22,24-Trihydroxy-12-oleanen-19-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069918	3,22-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069919	3,22-Dihydroxy-12-oleanen-29-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069920	3,22-Dihydroxy-12-ursen-30-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069921	3,22-Dihydroxylanosta-8,24-dien-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069922	3,23-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069923	3,23-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069924	3,23-Dihydroxy-18-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069925	3,23-Dihydroxycycloart-24-en-26-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069926	3,24,29-Trihydroxy-12-oleanen-22-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069927	3,24-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069928	3,24-Dihydroxy-12-oleanen-29-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069929	3,24-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069930	3,25-Dihydroxy-12-oleanen-30-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069931	3,25-Dihydroxycucurbit-5-ene-11,24-dione 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069932	3,26,27-Trihydroxylanosta-8,24-dien-7-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069933	3,27-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069934	3,27-Dihydroxy-20(29)-lupen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069935	3,27-Dihydroxycycloart-24-en-26-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069936	3,28-Dihydroxy-12-ursen-27-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069937	3,28-Dihydroxy-20(29)-lupen-27-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069938	3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069939	3,29-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069940	3,29-Dihydroxycucurbita-5,24-dien-26-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069941	3,30-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069942	3,30-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069943	3,30-Dihydroxy-20(29)-lupen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069944	3,6-Dihydroxy-12-oleanen-27-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069945	3,6-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069946	3,6-Dihydroxy-12-oleanen-29-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069947	3,6-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069948	3,6-Dihydroxy-18-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069949	3,6-Dihydroxy-20(29)-lupen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069950	3,7,23-Trihydroxycucurbita-5,24-dien-19-al 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069951	3,7-Dihydroxy-12-oleanen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069952	3,7-Dihydroxy-12-ursen-28-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069953	3,7-Dihydroxylanosta-8,24-dien-26-oic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069954	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 11-Eicosenyl ester(Z-) 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069955	3-Hydroxy-29-oxo-28-lupanoic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069956	5,19-Epoxycucurbita-6,23-diene-3,19,25-triol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069957	5,6-Epoxy-3-hydroxy-29-glutinanoic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069958	6,26-Dihydroxy-3-friedelanone, 21-Oxo 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069959	7,19,28-Trihydroxy-9(11)-arborinen-3-one 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069960	9(11),12-Oleanadiene-3,16,21,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069961	9(11),12-Oleanadiene-3,16,23,28-tetrol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069962	9(11)-Arborinene-3,7,19,28-tetrol, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069963	Alisol B 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069964	Argentatine A 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069965	Bacogenin A1 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069966	Bacogenin A5 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069967	Bourjotinolone A 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069968	Ceanothanolic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069969	Cleocarpone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069970	Cyclamiretin C 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069971	Cycloart-24-ene-3,21,22,23-tetrol, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069972	Cycloart-24-ene-3,22,26-triol, 26-Carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069973	Cycloorbigenin A; 6,7-Dihydro 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069974	Dammar-24-ene-3,20,21-triol, 3-Ketone, 21-carboxylic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069975	Ergosta-5,24(28)-diene-1,3,11-triol, 11-Ac 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069976	Escigenin; 24-Deoxy 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069977	Fruticin A 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069978	Fruticin B 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069979	Holost-7-ene-3,23-diol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069980	Iridogermanal; 21-Deoxy, 26-hydroxy, 16,17-didehydro 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069981	Lanosta-7,9(11)-diene-3,24,25,26-tetrol, 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069982	Melianol 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069983	Odoratol; 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069984	Ovalifoliolide B 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069985	Pseudojujubogenin 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069986	Pterosin C, 4-O-Hexadecanoyl 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069987	Salaspermic acid 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069988	Sapelin B; 3-Ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069989	Sodwanone H 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069990	Steganogenin 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069991	Swartziagenin 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069992	Tirucalla-7,24-diene-3,23-diol, 7?,8?:24S,25-Diepoxide, 3-ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+MJ069993	Tirucalla-7,24-diene-3,23-diol, 7?,8?:24S,25-Diepoxide, 3-ketone 	C30H48O4	472.35526	NA	MeJP	NA	NA
+HMDB02392	Maslinic acid	C30H48O4	472.35526	HMDB02392	PFEM_hmdb_metabocards_official	NA	NA
+C08808	Gratiogenin	C30H48O4	472.3553	NA	KEGG	NA	NA
+C08942	Echinocystic acid	C30H48O4	472.3553	NA	KEGG	NA	NA
+C16912	Alphitolic acid	C30H48O4	472.3553	NA	KEGG	NA	NA
+C16939	Crataegolic acid	C30H48O4	472.3553	NA	KEGG	NA	NA
+C17067	Siaresinol	C30H48O4	472.3553	NA	KEGG	NA	NA
+C17070	Sumaresinol	C30H48O4	472.3553	NA	KEGG	NA	NA
+C17460	Alisol B	C30H48O4	472.3553	NA	KEGG	NA	NA
+MJ069994	Pachystermine A; 16?-Hydroxy 	C29H48N2O3	472.366493	NA	MeJP	NA	NA
+C17423	Soyasapogenol D	C31H52O3	472.3916	NA	KEGG	NA	NA
+MJ069995	13(18)-Oleanene-3,22,24-triol, 22-Me ether 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ069996	14-Serratene-3,21,29-triol, 3-Me ether 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ069997	14-Serratene-3,21,30-triol, 3-Me ether 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ069998	14-Serratene-3,21-diol, 3-Me ether, 14?,15?-epoxide 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ069999	22-Hydroxy-29-hopanoic acid; 22?-form, Me ester 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070000	24-Hydroxy-3,4-secocycloart-25-en-3-oic acid; 24?-form, Me ester 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070001	24-Methylenelanost-8-ene-2,3,21-triol 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070002	24-Methylenelanost-8-ene-3,22,23-triol 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070003	25-Hydroxy-3,4-secocycloart-23-en-3-oic acid; 23E-form, Me ester 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070004	3-(4-Hydroxyphenyl)-2-propenoic acid, Docosyl ester 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070005	3-Hydroxycycloartan-26-oic acid, 3-Me ether 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070006	?-Irigermanal 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070007	?-Tocopherol; Ac 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070008	Alnuseric acid 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070009	Alnuserol 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070010	Alnuserrutriol; 3-Oxo 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070011	Alnustic acid; 12-Deoxy 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070012	Cholest-5-en-3-ol, Ethoxyacetyl 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070013	Cycloart-23-ene-3,25,26-triol, 3-Me ether 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070014	Iriversical 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070015	Lithocarpdiol 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070016	Pisolactone; 241(R)-Alcohol, 24-epimer 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070017	Pisolactone; 241(S)-Alcohol 	C31H52O3	472.391645	NA	MeJP	NA	NA
+MJ070018	2,29-Diamino-5,8,11,14,17,20-triacontahexaene-3,28-diol 	C30H52N2O2	472.402878	NA	MeJP	NA	NA
+MJ070019	Aragupetrosine A 	C30H52N2O2	472.402878	NA	MeJP	NA	NA
+MJ070020	14,17,20,23,26-Dotriacontapentaenoic acid, 14,15-Dihydro 	C32H56O2	472.428031	NA	MeJP	NA	NA
+MJ070021	24,25-Dimethyllanost-9(11)-ene-3,24-diol 	C32H56O2	472.428031	NA	MeJP	NA	NA
+MJ070022	5,9,21,25-Dotriacontatetraenoic acid 	C32H56O2	472.428031	NA	MeJP	NA	NA
+MJ070023	Dysidamide 	C15H21Cl6NO3	472.965259	NA	MeJP	NA	NA
+MJ070024	Herbacic acid; Me ester 	C15H21Cl6NO3	472.965259	NA	MeJP	NA	NA
+MJ070025	Ianthelline 	C15H17Br2N5O3	472.969814	NA	MeJP	NA	NA
+C08066	Butoconazole nitrate	C19H17Cl3N2S	473.0134	NA	KEGG	NA	NA
+C10618	Sporidesmin	C18H20ClN3O6S2	473.0482	NA	KEGG	NA	NA
+MJ070026	Sporidesmin 	C18H20ClN3O6S2	473.048204	NA	MeJP	NA	NA
+C11175	S-(2,4-Dinitrophenyl)glutathione	C16H19N5O10S	473.0853	NA	KEGG	NA	NA
+MJ070027	Halopenium(1+); Chloride 	C22H30BrCl2NO	473.088782	NA	MeJP	NA	NA
+C05674	CMP-N-trimethyl-2-aminoethylphosphonate	C14H27N4O10P2	473.1202	NA	KEGG	NA	NA
+C05675	Diacylglyceryl-2-aminoethylphosphonate	C7H12NO7PR2	473.1202	NA	KEGG	NA	NA
+C05676	Diacylglyceryl-N-trimethyl-2-aminoethylphosphonate	C10H19NO7PR2	473.1202	NA	KEGG	NA	NA
+C05677	Lipophosphonoglycan	C10H19NO7PR2	473.1202	NA	KEGG	NA	NA
+MJ070028	Lixivaptan 	C27H21ClFN3O2	473.130632	NA	MeJP	NA	NA
+MJ070029	2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, Nitrile, 4-O-[3,4-dihydroxycinnamoyl-(1?4)-?-D-glucopyranoside] 	C23H23NO10	473.132195	NA	MeJP	NA	NA
+MJ070030	Tipetropium(1+); Bromide 	C25H32BrNOS	473.138797	NA	MeJP	NA	NA
+MJ070031	Phosmidosine 	C16H24N7O8P	473.142397	NA	MeJP	NA	NA
+MJ070032	1-[2-[Bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid 	C23H21F6NO3	473.142562	NA	MeJP	NA	NA
+MJ070033	Lamellarin O; 2'-Hydroxy 	C27H23NO7	473.147452	NA	MeJP	NA	NA
+C08339	Proteacin	C20H27NO12	473.1533	NA	KEGG	NA	NA
+MJ070034	2-(Glucopyranosyloxy)-2-(4-hydroxyphenyl)acetonitrile, 6'-O-?-D-Glucopyranosyl 	C20H27NO12	473.153325	NA	MeJP	NA	NA
+MJ070035	Cryptophycin 7 	C25H28ClNO6	473.160515	NA	MeJP	NA	NA
+HMDB01562	N5-Formyl-H4F	C20H23N7O7	473.16589	http://www.hmdb.ca/metabolites/HMDB01562	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00972	N10-Formyl-THF	C20H23N7O7	473.16589	http://www.hmdb.ca/metabolites/HMDB00972	HMDB	NA	NA
+HMDB01562	N5-Formyl-H4F	C20H23N7O7	473.16589	http://www.hmdb.ca/metabolites/HMDB01562	HMDB	NA	NA
+HMDB02140	Pteroyl-D-glutamic acid	C20H23N7O7	473.16589	http://www.hmdb.ca/metabolites/HMDB02140	HMDB	NA	NA
+HMDB01562	N5-Formyl-H4F	C20H23N7O7	473.16589	http://www.hmdb.ca/metabolites/HMDB01562	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00972	N10-Formyl-THF	C20H23N7O7	473.16589	HMDB00972	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01562	N5-Formyl-H4F	C20H23N7O7	473.16589	HMDB01562	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02140	Pteroyl-D-glutamic acid	C20H23N7O7	473.16589	HMDB02140	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00972	N10-Formyl-THF	C20H23N7O7	473.165894	NA	HMDB2010	NA	NA
+HMDB01562	N5-Formyl-H4F	C20H23N7O7	473.165894	NA	HMDB2010	NA	NA
+HMDB02140	Pteroyl-D-glutamic acid	C20H23N7O7	473.165894	NA	HMDB2010	NA	NA
+MJ070036	10-Formyltetrahydrofolate 	C20H23N7O7	473.165896	NA	MeJP	NA	NA
+MJ070037	5-Formyltetrahydrofolate 	C20H23N7O7	473.165896	NA	MeJP	NA	NA
+MJ070038	Folinic acid 	C20H23N7O7	473.165896	NA	MeJP	NA	NA
+MetaCyc03668	N10-formyl-THF [10-formyl-tetrahydrofolate;n10-formyltetrahydrofolate;N10-formyl-H4F;10-formyl-THF;10-formyl-H4PteGlu1;]	C20H23N7O7	473.165896	2800-34-2	metacyc	NA	NA
+MetaCyc03669	N5-formyl-THF [5-formyl-THF leucovorin;n5-formyltetrahydrofolate;n5-formyl-thf;5-formyltetrahydrofolate;5-formyl-H4F;5-formyl-THF;folinic acid;5-CHO-THF;folinate;formyl-H4F;citrovorum factor;N5-formyl-H4F;]	C20H23N7O7	473.165896	58-05-9	metacyc	NA	NA
+C00234	10-Formyltetrahydrofolate	C20H23N7O7	473.1659	NA	KEGG	NA	NA
+C03479	5-Formyltetrahydrofolate	C20H23N7O7	473.1659	NA	KEGG	NA	NA
+MJ070039	Raloxifene 	C28H27NO4S	473.166079	NA	MeJP	NA	NA
+MetaCyc03670	raloxifene [raloxifene;(2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1- piperidinyl)ethoxy)phenyl)methanone;keoxifene;methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4- (2-(1-piperidinyl)ethoxy)phenyl)-;]	C28H27N1O4S1	473.166079	NA	metacyc	NA	NA
+C07228	Raloxifene	C28H27NO4S	473.1661	NA	KEGG	NA	NA
+C07229	Transferred to D00420	C28H27NO4S	473.1661	NA	KEGG	NA	NA
+7927	synthetic peptide	EYY	473.168	antioxidative	Inhouse_peptide	NA	peptide
+7928	synthetic peptide	YEY	473.168	antioxidative	Inhouse_peptide	NA	peptide
+7929	synthetic peptide	YYE	473.168	antioxidative	Inhouse_peptide	NA	peptide
+MJ070040	Lactoquinomycin B 	C24H27NO9	473.168581	NA	MeJP	NA	NA
+MJ070041	Medermycin; 6-Hydroxy 	C24H27NO9	473.168581	NA	MeJP	NA	NA
+MJ070042	Medermycin; N-Oxide 	C24H27NO9	473.168581	NA	MeJP	NA	NA
+MJ070043	Papaveroxidine 	C24H27NO9	473.168581	NA	MeJP	NA	NA
+PJ002169	SCQH 	C17H27N7O7S	473.1693	NA	PeJP	NA	NA
+PJ002170	PNDE 	C18H27N5O10	473.1758	NA	PeJP	NA	NA
+PJ002171	EYY 	C23H27N3O8	473.1798	NA	PeJP	NA	NA
+MJ070044	Antibiotic OA 6129B1 	C20H31N3O8S	473.183185	NA	MeJP	NA	NA
+C17373	OA-6129 B1	C20H31N3O8S	473.1832	NA	KEGG	NA	NA
+C17374	OA-6129 B2	C20H31N3O8S	473.1832	NA	KEGG	NA	NA
+PJ002172	GSSSH 	C17H27N7O9	473.187	NA	PeJP	NA	NA
+PJ002173	GPDW 	C22H27N5O7	473.1911	NA	PeJP	NA	NA
+PJ002174	GPPTC 	C19H31N5O7S	473.1944	NA	PeJP	NA	NA
+MJ070045	N-[4-[2-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]ethoxy]-3-(1H-pyrrol-1-yl)phenyl]methanesulfonamide 	C24H31N3O5S	473.198441	NA	MeJP	NA	NA
+MJ070046	Ketotrexate 	C21H27N7O6	473.202281	NA	MeJP	NA	NA
+PJ002175	GNHF 	C21H27N7O6	473.2023	NA	PeJP	NA	NA
+MJ070047	6,11-Dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]dibenz[b,e]oxepin-2-carboxylic acid 	C29H31NO3S	473.202464	NA	MeJP	NA	NA
+MJ070048	Mederrhodin B; 6-Deoxy, Me ester 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070049	Senampelines; Senampeline A 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070050	Senampelines; Senampeline B 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070051	Senampelines; Senampeline C 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070052	Senampelines; Senampeline D 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070053	Senampelines; Senampeline E 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070054	Senampelines; Senampeline F 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+MJ070055	Senampelines; Senampeline G 	C25H31NO8	473.204966	NA	MeJP	NA	NA
+C10388	Senampeline A	C25H31NO8	473.205	NA	KEGG	NA	NA
+PJ002176	SCKH 	C18H31N7O6S	473.2057	NA	PeJP	NA	NA
+MJ070056	Glisamuride 	C23H31N5O4S	473.209675	NA	MeJP	NA	NA
+PJ002177	PTQE 	C19H31N5O9	473.2122	NA	PeJP	NA	NA
+3721	NA	WWPKHHG	473.2205	MH2+	Inhouse_peptide	NA	peptide
+PJ002178	SPDR 	C18H31N7O8	473.2234	NA	PeJP	NA	NA
+MJ070057	Antibiotic SF 701; N*-Me 	C18H31N7O8	473.223411	NA	MeJP	NA	NA
+PJ002179	GGGGGGL 	C18H31N7O8	473.2235	NA	PeJP	NA	NA
+PJ002180	APTW 	C23H31N5O6	473.2275	NA	PeJP	NA	NA
+PJ002181	PVQM 	C20H35N5O6S	473.2308	NA	PeJP	NA	NA
+PJ002182	GNQR 	C17H31N9O7	473.2347	NA	PeJP	NA	NA
+MJ070058	Hetisan-2,11,13,14-tetrol, O2-(2-Methylpropanoyl), O13-Ac, N-oxide 	C26H35NO7	473.241352	NA	MeJP	NA	NA
+PJ002183	APMR 	C19H35N7O5S	473.2421	NA	PeJP	NA	NA
+MJ070059	N2-(Diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]argininamide 	C27H31N5O3	473.242689	NA	MeJP	NA	NA
+PJ002184	PTKE 	C20H35N5O8	473.2486	NA	PeJP	NA	NA
+EUR830	Lyso PE 16:1 [M+Na]+	C21H42NO7P	473.251838	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR830	Lyso PE 16:1 [M+Na]+	C21H42NO7P	473.251838	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR830	Lyso PE 16:1 [M+Na]+	C21H42NO7P	473.251838	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR830	Lyso PE 16:1 [M+Na]+	C21H42NO7P	473.251838	masses lipides attendues	Inhousejuil11	NA	NA
+7811	ACE inhibitor from tuna	VWIG	473.252	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ070060	Spermidine; N,N''-Bis(3,4-dihydroxyphenylpropanoyl) 	C25H35N3O6	473.252585	NA	MeJP	NA	NA
+EUR854	Lyso PE 18:4 monoisotopic mass 	C23H40NO7P	473.254242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR854	Lyso PE 18:4 monoisotopic mass 	C23H40NO7P	473.254242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR854	Lyso PE 18:4 monoisotopic mass 	C23H40NO7P	473.254242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB11480	LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))	C23H40NO7P	473.254242	NA	HMDB2010	NA	NA
+HMDB11510	LysoPE(18:4(6Z,9Z,12Z,15Z)/0:0)	C23H40NO7P	473.254242	NA	HMDB2010	NA	NA
+EUR854	Lyso PE 18:4 monoisotopic mass 	C23H40NO7P	473.254242	masses lipides attendues	Inhousejuil11	NA	NA
+PJ002185	GLER 	C19H35N7O7	473.2598	NA	PeJP	NA	NA
+MJ070061	Malonofungin 	C23H39NO9	473.262481	NA	MeJP	NA	NA
+PJ002186	GVLW 	C24H35N5O5	473.2638	NA	PeJP	NA	NA
+MJ070062	N-[1-Cyclohexyl-2-[2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]glycine, Et ester 	C24H35N5O5	473.263819	NA	MeJP	NA	NA
+7414	ACE inhibitor	LRW	473.264	antioxidative	Inhouse_peptide	NA	peptide
+8016	synthetic peptide	LWR	473.264	antibacterial	Inhouse_peptide	NA	peptide
+8075	synthetic peptide	RWI	473.264	ACE inhibitor	Inhouse_peptide	NA	peptide
+8076	synthetic peptide	RWL	473.264	ACE inhibitor	Inhouse_peptide	NA	peptide
+8213	Antioxidative peptide	IRW	473.264	NA  ;SYN:3-Carboxypropylamine; 4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; Aminalon; GABA; Gaballon; Gamarex; Gamma aminobutyrate; Gamma aminobutyric acid; Gamma-aminobutyrate; Gamma-aminobutyric acid; Gammalon; Gammalone; Gammar; Gammasol; Mielogen; Mielomade; Piperidate; Piperidic acid; Piperidinate; Piperidinic acid; w-Aminobutyrate; w-Aminobutyric acid; omega-Aminobutyrate; omega-Aminobutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ002187	PVKM 	C21H39N5O5S	473.2672	NA	PeJP	NA	NA
+MJ070063	Roehybridine; 3',9-Bisdemethoxy 	C29H35N3O3	473.267842	NA	MeJP	NA	NA
+MJ070064	Tubulosine, 1',2'-Didehydro 	C29H35N3O3	473.267842	NA	MeJP	NA	NA
+PJ002188	GNKR 	C18H35N9O6	473.2711	NA	PeJP	NA	NA
+PJ002189	LRW 	C23H35N7O4	473.2751	NA	PeJP	NA	NA
+MJ070065	Prednisolone; 21-(Diethylaminoacetate) 	C27H39NO6	473.277737	NA	MeJP	NA	NA
+MJ070066	Pregnane-3,11,12,14,20-pentol, 20-O-(3-Pyridinecarboxylate) 	C27H39NO6	473.277737	NA	MeJP	NA	NA
+MJ070067	Amastatins; Amastatin A1 	C21H39N5O7	473.284948	NA	MeJP	NA	NA
+PJ002190	VVKE 	C21H39N5O7	473.285	NA	PeJP	NA	NA
+PJ002191	SVLR 	C20H39N7O6	473.2962	NA	PeJP	NA	NA
+MJ070068	Lauralkonium(1+); Chloride 	C29H44ClNO2	473.306057	NA	MeJP	NA	NA
+MJ070069	Ambruticin VS 5 	C28H43NO5	473.314123	NA	MeJP	NA	NA
+MJ070070	Ivorine 	C28H43NO5	473.314123	NA	MeJP	NA	NA
+MJ070071	Piericidin; Piericidin A3, 10'-Me ether, 11',12'-epoxide 	C28H43NO5	473.314123	NA	MeJP	NA	NA
+MJ070072	Piericidin; Piericidin A4, 11',12'-Epoxide 	C28H43NO5	473.314123	NA	MeJP	NA	NA
+3753	NA	KKKA	473.319	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002192	TLLK 	C22H43N5O6	473.3214	NA	PeJP	NA	NA
+MJ070073	Cyclobuxophylline O; N-Me, N-benzoyl 	C32H43NO2	473.329379	NA	MeJP	NA	NA
+PJ002193	AKKK 	C21H43N7O5	473.3326	NA	PeJP	NA	NA
+HMDB06321	Docosa-4,7,10,13,16-pentaenoyl carnitine	C29H47NO4	473.350494	NA	HMDB2010	NA	NA
+HMDB06496	Clupanodonyl carnitine	C29H47NO4	473.350494	NA	HMDB2010	NA	NA
+MJ070074	3,6,14-Cevanetriol, 6-Ac 	C29H47NO4	473.350508	NA	MeJP	NA	NA
+MJ070075	3,6,14-Cevanetriol, 3-Ac 	C29H47NO4	473.350508	NA	MeJP	NA	NA
+MJ070076	3-Hydroxypregn-14-en-20-one, 3-O-(2,4,6-Trideoxy-3-O-methyl-4-methylamino-?-D-ribo-hexopyranoside) 	C29H47NO4	473.350508	NA	MeJP	NA	NA
+MJ070077	Hakurirodine; 22R,28-Dihydro, 3-O-Ac 	C29H47NO4	473.350508	NA	MeJP	NA	NA
+MJ070078	Spirosolane-3,23-diol, 23-Ac 	C29H47NO4	473.350508	NA	MeJP	NA	NA
+HMDB06321	Docosa-4,7,10,13,16-pentaenoyl carnitine	C29H47NO4	473.35052	http://www.hmdb.ca/metabolites/HMDB06321	HMDB	NA	NA
+HMDB06493	Adrenyl carnitine	C29H47NO4	473.35052	http://www.hmdb.ca/metabolites/HMDB06493	HMDB	NA	NA
+HMDB06496	Clupanodonyl carnitine	C29H47NO4	473.35052	http://www.hmdb.ca/metabolites/HMDB06496	HMDB	NA	NA
+HMDB06321	Docosa-4,7,10,13,16-pentaenoyl carnitine	C29H47NO4	473.35052	HMDB06321	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06493	Adrenyl carnitine	C29H47NO4	473.35052	HMDB06493	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06496	Clupanodonyl carnitine	C29H47NO4	473.35052	HMDB06496	PFEM_hmdb_metabocards_official	NA	NA
+MJ070079	Stellettazole A 	C26H46N6O2(+)	473.360399	NA	MeJP	NA	NA
+MJ070080	Moctamide 	C33H47NO	473.365765	NA	MeJP	NA	NA
+C15294	N-Methylindolo[3,2-b]-5alpha-cholest-2-ene	C34H51N	473.4022	NA	KEGG	NA	NA
+3457	PEP inhibitor	SPFWNINA	473.7189	MH2+	Inhouse_peptide	NA	peptide
+MJ070081	1,8,8-Tribromo-3,4,7-trichloro-3,7-dimethyl-1,5-octadiene 	C10H12Br3Cl3	473.755471	NA	MeJP	NA	NA
+MJ070082	Mercury(I) chloride (Hg2Cl2) 	Cl2Hg2	473.878956	NA	MeJP	NA	NA
+MJ070083	Toloxychlorinol 	C14H16Cl6O5	473.912889	NA	MeJP	NA	NA
+C17162	Aerophobin 1	C15H16Br2N4O4	473.9538	NA	KEGG	NA	NA
+MJ070084	Aerophobin 1 	C15H16Br2N4O4	473.95383	NA	MeJP	NA	NA
+MJ070085	Purealidin M; Deamino 	C15H16Br2N4O4	473.95383	NA	MeJP	NA	NA
+MJ070086	Dysamide A; 3?-Hydroxy 	C14H20Cl6N2O3	473.960508	NA	MeJP	NA	NA
+MJ070087	3,5-Dihydroxy-4',7-dimethoxyflavone; 3,5-Di-O-sulfate 	C17H14O12S2	473.992667	NA	MeJP	NA	NA
+MJ070088	Gelliusine E, 5-Deoxy, 6-bromo 	C20H20Br2N4	474.005471	NA	MeJP	NA	NA
+MJ070089	Oganomycin GI 	C16H18N4O7S3	474.033761	NA	MeJP	NA	NA
+MJ070090	Bromoxanide 	C19H18BrF3N2O4	474.040204	NA	MeJP	NA	NA
+MJ070091	m-Trigallic acid 	C21H14O13	474.04344	NA	MeJP	NA	NA
+C10437	Chicoric acid	C22H18O12	474.0798	NA	KEGG	NA	NA
+MJ070092	Chicoric acid 	C22H18O12	474.079826	NA	MeJP	NA	NA
+MJ070093	Fumarprotocetraric acid; 2'',3''-Dihydro 	C22H18O12	474.079826	NA	MeJP	NA	NA
+HMDB02375	Chicoric acid	C22H18O12	474.07983	http://www.hmdb.ca/metabolites/HMDB02375	HMDB	NA	NA
+HMDB02375	Chicoric acid	C22H18O12	474.07983	HMDB02375	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02375	Chicoric acid	C22H18O12	474.079834	NA	HMDB2010	NA	NA
+MJ070094	Halopredone 	C21H25BrF2O5	474.085342	NA	MeJP	NA	NA
+MJ070095	Ticarcillin; 3-Mono(4-methylphenyl)ester 	C22H22N2O6S2	474.091927	NA	MeJP	NA	NA
+MJ070096	5,6,8,13-Tetrahydro-1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)benzo[a]naphthacene-2-carboxylic acid 	C26H18O9	474.095082	NA	MeJP	NA	NA
+MJ070097	Bacillosporin B 	C26H18O9	474.095082	NA	MeJP	NA	NA
+MJ070098	Rilmazafone 	C21H20Cl2N6O3	474.097393	NA	MeJP	NA	NA
+MJ070099	(1-Butyl-4-piperidinyl)methyl 8-amino-2,3-dihydro-7-iodo-1,4-benzodioxin-5-carboxylate 	C19H27IN2O4	474.10155	NA	MeJP	NA	NA
+PJ002194	CCCF 	C18H26N4O5S3	474.1066	NA	PeJP	NA	NA
+MJ070100	Bisinaiquinone 	C30H18O6	474.110338	NA	MeJP	NA	NA
+MJ070101	Nostocyclamide 	C20H22N6O4S2	474.114394	NA	MeJP	NA	NA
+FL3FAACS0010	Apigenin 8-C-(6''-acetylgalactoside)	C23H22O11	474.11621	75440-77-6	knapsack	NA	NA
+FL3FAACS0044	Vitexin 2''-acetate	C23H22O11	474.11621	264142-91-8	knapsack	NA	NA
+FL3FAACS0084	Isovitexin 6''-O-acetyl	C23H22O11	474.11621	-	knapsack	NA	NA
+FL3FAACS0088	Vitexin 3''-O-acetate	C23H22O11	474.11621	439692-86-1	knapsack	NA	NA
+FL3FAACS0089	Vitexin 6''-O-acetate;Psilosin	C23H22O11	474.11621	156790-77-1	knapsack	NA	NA
+FL3FAACS0092	8-C-beta-D-Glucofuranosylapigenin 2''-O-acetate	C23H22O11	474.11621	439692-84-9	knapsack	NA	NA
+FL3FAAGS0013	Apigenin 7-(6''-ethylglucuronide)	C23H22O11	474.11621	62268-42-2	knapsack	NA	NA
+FL3FAAGS0040	Apigenin 7-(2''-acetylglucoside)	C23H22O11	474.11621	75357-75-4	knapsack	NA	NA
+FL3FAAGS0041	Apigenin 7-(6''-acetylglucoside)	C23H22O11	474.11621	72741-92-5	knapsack	NA	NA
+FL3FABGS0004	Acacetin 7-(6''-methylglucuronide)	C23H22O11	474.11621	79076-87-2	knapsack	NA	NA
+FL3FF9GS0008	7-Hydroxy-5,8-dimethoxyflavone 7-glucuronide	C23H22O11	474.11621	123549-16-6	knapsack	NA	NA
+FL5F1CGS0005	Pongamoside D	C23H22O11	474.11621	713524-66-4	knapsack	NA	NA
+FL5FAAGS0047	Kaempferol 3-(2''-acetylrhamnoside)	C23H22O11	474.11621	135618-15-4	knapsack	NA	NA
+FL5FAAGS0048	Kaempferol 3-(3''-acetylrhamnoside)	C23H22O11	474.11621	135618-16-5	knapsack	NA	NA
+FL5FAAGS0049	Kaempferol 3-(4''-acetylrhamnoside)	C23H22O11	474.11621	135618-17-6	knapsack	NA	NA
+FL5FEAGS0026	Viviparum A;3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone 3-xyloside;9-Methoxy-6-(4-methoxyphenyl)-7-(beta-D-xylopyranosyloxy)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	C23H22O11	474.11621	340970-65-2	knapsack	NA	NA
+FLIA2CGS0001	Fujikinetin 7-O-glucoside	C23H22O11	474.11621	38965-67-2	knapsack	NA	NA
+FLIAAAGS0002	Genistin 6''-O-acetate	C23H22O11	474.11621	73566-30-0	knapsack	NA	NA
+MJ070102	2',4',5',7-Tetrahydroxyisoflavone; 4',5'-Methylene, 2'-Me ether, 7-O-?-D-glucopyranoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070103	2',5,6,7-Tetrahydroxyisoflavone; 6,7-Methylene, 5-Me ether, 2'-O-?-D-glucopyranoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070104	2-Acetyl-1,6,8-trihydroxy-3-methylanthraquinone; 8-O-?-D-Glucoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070105	3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6-Me ether, 7-O-?-D-glucopyranoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070106	3,4,6,8-Tetrahydroxy-1-phenanthrenecarboxylic acid; 3,4-Methylene, 8-Me ether, 6-O-?-D-glucopyranoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070107	4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside, Et ester 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070108	4',5,7-Trihydroxyisoflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070109	5,7,8-Trihydroxyflavone; 5,8-Di-Me ether, 7-O-?-D-glucuronoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070110	5,7-Dihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070111	8-Galactopyranosyl-4',5,7-trihydroxyflavone; 6''-O-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070112	8-Methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid; 6-Hydroxy, O-?-D-glucopyranoside 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070113	Afzelin; 2''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070114	Afzelin; 3''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070115	Afzelin; 4''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070116	Bergenin; 11-O-(E-4-Hydroxycinnamoyl) 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070117	Cosmosiin; 2''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070118	Cosmosiin; 6''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070119	Vitexin; 2''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070120	Vitexin; 6''-Ac 	C23H22O11	474.116211	NA	MeJP	NA	NA
+MJ070121	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H23O11(+)	474.116211	NA	MeJP	NA	NA
+PJ002195	SCCY 	C18H26N4O7S2	474.1243	NA	PeJP	NA	NA
+MJ070122	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, [?-D-Apiofuranosyl-(1?6)-?-D-glucopyranosyl] ester 	C20H26O13	474.13734	NA	MeJP	NA	NA
+MJ070123	14-Chloro-2,8,10-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)-2E-butenoyl] 	C25H27ClO7	474.14453	NA	MeJP	NA	NA
+MJ070124	Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-2E-butenoyl) 	C25H27ClO7	474.14453	NA	MeJP	NA	NA
+MJ070125	Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-2Z-butenoyl) 	C25H27ClO7	474.14453	NA	MeJP	NA	NA
+MJ070126	Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-3E-butenoyl) 	C25H27ClO7	474.14453	NA	MeJP	NA	NA
+MJ070127	Sclerotiorin, O-De-Ac, O-(4-carboxy-3-methyl-3Z-butenoyl) 	C25H27ClO7	474.14453	NA	MeJP	NA	NA
+MJ070128	Nordracorubin 	C31H22O5	474.146723	NA	MeJP	NA	NA
+MJ070129	1,4-Epoxy-8,13-dihydroxy-3-oxo-1,5,7(11)-germacratrien-12,6-olide, 8-(4-Acetoxy-3-methyl-2-butenoyl)(Z-), 13-Ac 	C24H26O10	474.152597	NA	MeJP	NA	NA
+MJ070130	3,4-Epoxy-8,9-dihydroxy-2-oxo-1(10),11(13)-guaiadien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl), 9-Ac 	C24H26O10	474.152597	NA	MeJP	NA	NA
+MJ070131	Bipinnatin B 	C24H26O10	474.152597	NA	MeJP	NA	NA
+MJ070132	Deacyltaiwanschirin; 10-Ac 	C24H26O10	474.152597	NA	MeJP	NA	NA
+MJ070133	Peperomin F 	C24H26O10	474.152597	NA	MeJP	NA	NA
+MJ070134	Puerol A; 4''-Me ether, 2''-O-?-D-glucopyranoside 	C24H26O10	474.152597	NA	MeJP	NA	NA
+PJ002196	SCEH 	C17H26N6O8S	474.1533	NA	PeJP	NA	NA
+MJ070135	Picloxydine 	C20H24Cl2N10	474.156246	NA	MeJP	NA	NA
+MJ070136	?-D-Arabinopyranosyl-(1?2)-?-D-mannopyranosyl-(1?2)-D-glucose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070137	?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?3)-L-arabinose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070138	?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-L-arabinose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070139	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?2)-D-xylose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070140	?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-glucose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070141	D-Galactopyranosyl-(1?3)-D-galactopyranosyl-(1?3)-L-arabinose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070142	Vaccariose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MJ070143	?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-glucose 	C17H30O15	474.15847	NA	MeJP	NA	NA
+MetaCyc03671	&alpha;-D-xylosyl-(1->6)-&beta;-D-glucosyl- (1->4)-&beta;-D-glucose []	C17H30O15	474.15847	NA	metacyc	NA	NA
+PJ002197	PDDE 	C18H26N4O11	474.1598	NA	PeJP	NA	NA
+MJ070144	?-[[2-Butyl-1-[(4-carboxy-1-naphthalenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic acid 	C27H26N2O4S	474.161328	NA	MeJP	NA	NA
+MJ070145	4-N-Demethyl-4-N-ethyloxytetracycline 	C23H26N2O9	474.16383	NA	MeJP	NA	NA
+MJ070146	Neocalyxin A 	C28H26O7	474.167853	NA	MeJP	NA	NA
+MJ070147	Rhinacanthin Q 	C28H26O7	474.167853	NA	MeJP	NA	NA
+PJ002198	GMMH 	C18H30N6O5S2	474.1719	NA	PeJP	NA	NA
+MJ070148	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C21H30O12	474.173726	NA	MeJP	NA	NA
+MJ070149	5-(2-Propenyl)-1,2,3-benzenetriol; 1-Me ether, 3-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O12	474.173726	NA	MeJP	NA	NA
+MJ070150	6-O-(3,4-Dihydroxycinnamoyl)glucose; ?-D-Pyranose-form, 3'-Me ether, 2,3,4-trihydroxy-3-methylbutyl glycoside 	C21H30O12	474.173726	NA	MeJP	NA	NA
+MJ070151	Scandoside; 6-Butanoyl, Me ester 	C21H30O12	474.173726	NA	MeJP	NA	NA
+MJ070152	Scandoside; 6-Epimer, 6-butanoyl, Me ester 	C21H30O12	474.173726	NA	MeJP	NA	NA
+MJ070153	Tuliposide E 	C21H30O12	474.173726	NA	MeJP	NA	NA
+MJ070154	Petromurin C; 5''-Methoxy 	C27H26N2O6	474.179086	NA	MeJP	NA	NA
+MJ070155	Luteusin C; Stereoisomer 1, Me ether 	C26H31ClO6	474.180916	NA	MeJP	NA	NA
+PJ002199	NNNN 	C16H26N8O9	474.1823	NA	PeJP	NA	NA
+PJ002200	GDHF 	C21H26N6O7	474.1863	NA	PeJP	NA	NA
+MJ070156	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl] 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070157	3',4,4',5,5',9,9'-Heptahydroxy-2,7'-cyclolignan, 3',5,5'-Tri-Me ether, 9,9'-di-Ac 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070158	3,3',4,4',5,9,9'-Heptahydroxylignan, 3',4'-Methylene, 3,5-di-Me ether, 9,9'-di-Ac 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070159	4,8-Dihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[4-Hydroxy-2-(2-hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl] 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070160	5,6,8-Trihydroxy-28-norisotoonafolin 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070161	8-Hydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, O-[4-Hydroxy-2-(4-hydroxy-2-hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl] 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070162	8-Hydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-[4-Hydroxy-2-(4-hydroxy-2-hydroxymethyl-2-butenoyloxymethyl)-2-butenoyl](E,E-) 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070163	Acerogenin D; 4-O-?-D-Glucopyranoside 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070164	Kadsulignan A; 6?-Acetoxy 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070165	Loxodinol 	C25H30O9	474.188982	NA	MeJP	NA	NA
+MJ070166	Robustaol A 	C25H30O9	474.188982	NA	MeJP	NA	NA
+C09968	Robustaol A	C25H30O9	474.189	NA	KEGG	NA	NA
+PJ002201	STMH 	C18H30N6O7S	474.1897	NA	PeJP	NA	NA
+MJ070167	[1-[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propyl]-4-piperidinyl]methyl 4-amino-5-chloro-2-methoxybenzoate 	C25H31ClN2O5	474.192149	NA	MeJP	NA	NA
+C07340	Quinapril hydrochloride	C25H30N2O5	474.1922	NA	KEGG	NA	NA
+PJ002202	PTEE 	C19H30N4O10	474.1962	NA	PeJP	NA	NA
+PJ002203	PPMM 	C20H34N4O5S2	474.1971	NA	PeJP	NA	NA
+MJ070168	2,4,6,8,10,12-Tetradecahexaenedioic acid, 1-L-Aspartic acid, 14-L-isoleucine diamide 	C24H30N2O8	474.200215	NA	MeJP	NA	NA
+MJ070169	Kopsinganol 	C24H30N2O8	474.200215	NA	MeJP	NA	NA
+MJ070170	Podophyllic acid, N-Ethylhydrazide 	C24H30N2O8	474.200215	NA	MeJP	NA	NA
+C07259	Sildenafil	C22H30N6O4S	474.2049	NA	KEGG	NA	NA
+C07260	Transferred to D00433	C22H30N6O4S	474.2049	NA	KEGG	NA	NA
+MJ070171	Sildenafil 	C22H30N6O4S	474.204924	NA	MeJP	NA	NA
+HMDB05039	Sildenafil	C22H30N6O4S	474.204926	NA	HMDB2010	NA	NA
+HMDB05039	Sildenafil	C22H30N6O4S	474.20493	http://www.hmdb.ca/metabolites/HMDB05039	HMDB	NA	NA
+HMDB05039	Sildenafil	C22H30N6O4S	474.20493	HMDB05039	PFEM_hmdb_metabocards_official	NA	NA
+PJ002204	AQQE 	C18H30N6O9	474.2074	NA	PeJP	NA	NA
+PJ002205	GAAQE 	C18H30N6O9	474.2075	NA	PeJP	NA	NA
+MJ070172	2-Isopropyl-5-methylphenol; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C22H34O11	474.210111	NA	MeJP	NA	NA
+MJ070173	4-Isopropylbenzyl alcohol; O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C22H34O11	474.210111	NA	MeJP	NA	NA
+PJ002206	PPDF 	C23H30N4O7	474.2115	NA	PeJP	NA	NA
+PJ002207	PVEM 	C20H34N4O7S	474.2148	NA	PeJP	NA	NA
+PJ002208	GNER 	C17H30N8O8	474.2187	NA	PeJP	NA	NA
+8070	synthetic peptide	RHY	474.222	antioxidative	Inhouse_peptide	NA	peptide
+PJ002209	AAQW 	C22H30N6O6	474.2227	NA	PeJP	NA	NA
+8077	synthetic peptide	RWN	474.2229	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ070174	1,3,5,14-Tetrahydroxy-19-oxobufa-20,22-dienolide, 3-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070175	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9-di-Ac, 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070176	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6-di-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070177	13(16),14-Spongiadiene-2,3,17,19-tetrol; 3?-form, 2-Ketone, tri-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070178	14,15-Epoxy-3,5,16,19-tetrahydroxybufa-20,22-dienolide, 16-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070179	2,11,12-Trihydroxy-6,7-seco-8,11,13-abietatriene-6,7-dial 11,6-hemiacetal; 2?-form, Tri-Ac(6?-) 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070180	3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether, 9,9'-di-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070181	3,5,11,14-Tetrahydroxy-12-oxobufa-20,22-dienolide, 3-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070182	3,5,12,14-Tetrahydroxy-11-oxobufa-20,22-dienolide, 3-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070183	3,6,8,12,14-Pentahydroxybufa-4,20,22-trienolide, 6-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070184	7,8:17,18-Diepoxy-1(19),6(20),10(17),13-xenicatetraene-11,12,18-triol; Tri-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070185	8,17-Epoxy-2,9,12-trihydroxy-5,13-briaradien-18,7-olide, 12-Ketone, 2-butanoyl, 9-Ac 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070186	Acremolactone A 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070187	Agrimophol 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070188	Austalide B 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070189	Bryotoxin B; 12-Deoxo 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070190	Clausenolide; 1-Me ether 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070191	Cryptochlorophaeic acid; 4'-Me ether 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070192	Cryptochlorophaeic acid; 4-Me ether 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070193	Cryptochlorophaeic acid; O-De-Me, 4,4'-di-Me ether 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070194	Epiphorellic acid 1 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070195	Herbicide AF1 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070196	Isocryptochlorophaeic acid; 4-Me ether 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070197	Ligulaverin C; 6-Deacyl, 6-angeloyl 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070198	Picrasin A 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070199	Saroaspidin C 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070200	Trillenogenin; 1-Ketone 	C26H34O8	474.225368	NA	MeJP	NA	NA
+MJ070201	Xenione 	C26H34O8	474.225368	NA	MeJP	NA	NA
+C10671	Agrimophol	C26H34O8	474.2254	NA	KEGG	NA	NA
+C17049	Picrasin A	C26H34O8	474.2254	NA	KEGG	NA	NA
+PJ002210	PCQK 	C19H34N6O6S	474.2261	NA	PeJP	NA	NA
+MJ070202	Saterinone 	C27H30N4O4	474.226705	NA	MeJP	NA	NA
+MJ070203	Murrafoline B 	C32H30N2O2	474.230728	NA	MeJP	NA	NA
+MJ070204	Murrafoline D 	C32H30N2O2	474.230728	NA	MeJP	NA	NA
+MJ070205	Murrafoline G 	C32H30N2O2	474.230728	NA	MeJP	NA	NA
+MJ070206	Murrastifoline D; 3'-Deoxy 	C32H30N2O2	474.230728	NA	MeJP	NA	NA
+MJ070207	1,16-Eicosanediol, Di-O-sulfate 	C20H42O8S2	474.232109	NA	MeJP	NA	NA
+MJ070208	1,18-Phytanediol; Disulfate 	C20H42O8S2	474.232109	NA	MeJP	NA	NA
+PJ002211	VVEE 	C20H34N4O9	474.2326	NA	PeJP	NA	NA
+PJ002212	NRW 	C21H30N8O5	474.2339	NA	PeJP	NA	NA
+MJ070209	4,13-Dihydroxylupanine, O13-(3,4,5-Trimethoxybenzoyl) 	C25H34N2O7	474.236601	NA	MeJP	NA	NA
+FL1C1CNP0002	Poinsettifolin B	C30H34O5	474.24062	211183-25-4	knapsack	NA	NA
+FL2FAANP0006	Euchrenone a4	C30H34O5	474.24062	121795-45-7	knapsack	NA	NA
+FL3F1LNI0002	Rubraflavone B	C30H34O5	474.24062	54835-68-6	knapsack	NA	NA
+FLIAAANI0006	Flemiphyllin;5,7,4'-Trihydroxy-8,3',5'-triprenylisoflavone	C30H34O5	474.24062	92519-86-3	knapsack	NA	NA
+FLIAAANI0012	Euchrenone b1;5,7,4'-Trihydroxy-6,8,3'-triprenylisoflavone	C30H34O5	474.24062	119061-09-5	knapsack	NA	NA
+MJ070210	4',5,7-Trihydroxy-3',5',8-triprenylisoflavone 	C30H34O5	474.240624	NA	MeJP	NA	NA
+MJ070211	4',5,7-Trihydroxy-3',6,8-triprenylisoflavone 	C30H34O5	474.240624	NA	MeJP	NA	NA
+MJ070212	Euchrenone a4 	C30H34O5	474.240624	NA	MeJP	NA	NA
+MJ070213	Poinsettifolin A 	C30H34O5	474.240624	NA	MeJP	NA	NA
+MJ070214	Poinsettifolin B 	C30H34O5	474.240624	NA	MeJP	NA	NA
+MJ070215	Rubraflavone A; 8-(3-Methyl-2-butenyl) 	C30H34O5	474.240624	NA	MeJP	NA	NA
+PJ002213	AQKE 	C19H34N6O8	474.2438	NA	PeJP	NA	NA
+7861	peptide isolated from marine rotifier (Brachionus rotundiformis)	DLGLGLPGAH	474.24445	MH2+	Inhouse_peptide	NA	peptide
+PJ002214	PPVY 	C24H34N4O6	474.2479	NA	PeJP	NA	NA
+MJ070216	Cytochalasin G 	C29H34N2O4	474.251857	NA	MeJP	NA	NA
+PJ002215	GDKR 	C18H34N8O7	474.2551	NA	PeJP	NA	NA
+PJ002216	AAKW 	C23H34N6O5	474.2591	NA	PeJP	NA	NA
+MJ070217	2,7,19-Trihydroxy-3,12,14-clerodatrien-18,19-olide, 2-Me ether, 7-butanoyl, 19-Ac 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070218	3,4-Epoxy-7(14),10-bisaboladiene-1,2,8-triol; 1,2-Diangeloyl, 8-Ac 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070219	3,6-Dihydroxyfuranoeremophilan-15-oic acid, 3-Angeloyl, 6-(3-methylpentanoyl), Me ester 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070220	3,7,12-Trihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-oic acid, 3-Ketone 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070221	4,18-Epoxy-6,19-dihydroxy-13-cleroden-15,16-olide, 19-Tigloyl, 6-Ac 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070222	4-[1-[2,6-Dihydroxy-4-methoxy-3-(2-methyl-1-oxopropyl)phenyl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione; Homologue 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070223	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-D-xylopyranoside) 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070224	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(2-Acetyl-?-D-xylopyranoside) 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070225	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-D-xylopyranoside) 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070226	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(4-Acetyl-?-D-xylopyranoside) 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070227	8,9,10-Trihydroxy-5-longipinanone, 8,10-Diangeloyl, 9-Ac 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070228	9-Methoxystrobilurin L; 9,10-Dihydro 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070229	Kampanol B 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070230	Lucidenic acid E1 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070231	Lucidenic acid H; 7-Ketone 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070232	Lucidenic acid M; 7,15-Diketone, 12?-hydroxy 	C27H38O7	474.261753	NA	MeJP	NA	NA
+MJ070233	Pregna-5,20-diene-3,7,11,19-tetrol, 3,7,19-Tri-Ac 	C27H38O7	474.261753	NA	MeJP	NA	NA
+C09086	Diterpenoid EF-D	C27H38O7	474.2618	NA	KEGG	NA	NA
+PJ002217	PCKK 	C20H38N6O5S	474.2625	NA	PeJP	NA	NA
+MJ070234	Aspergillamide A 	C28H34N4O3	474.26309	NA	MeJP	NA	NA
+C16259	Petromyzonol 24-sulfate	C24H42O7S	474.2651	NA	KEGG	NA	NA
+PJ002218	GSRR 	C17H34N10O6	474.2663	NA	PeJP	NA	NA
+HMDB02962	Amastatin	C21H38N4O8	474.26895	http://www.hmdb.ca/metabolites/HMDB02962	HMDB	NA	NA
+HMDB02962	Amastatin	C21H38N4O8	474.26895	HMDB02962	PFEM_hmdb_metabocards_official	NA	NA
+MJ070235	Amastatins; Amastatin 	C21H38N4O8	474.268964	NA	MeJP	NA	NA
+C01552	Amastatin	C21H38N4O8	474.269	NA	KEGG	NA	NA
+PJ002219	TLLE 	C21H38N4O8	474.269	NA	PeJP	NA	NA
+MJ070236	Schizanthine X; 6-De(angeloyloxy) 	C26H38N2O6	474.272986	NA	MeJP	NA	NA
+MJ070237	Fluocortolone; 21-Hexanoyl 	C28H39FO5	474.278152	NA	MeJP	NA	NA
+PJ002220	AKKE 	C20H38N6O7	474.2802	NA	PeJP	NA	NA
+PJ002221	PVLF 	C25H38N4O5	474.2842	NA	PeJP	NA	NA
+MJ070238	Mucronine E; N-De-Me 	C25H38N4O5	474.28422	NA	MeJP	NA	NA
+MJ070239	Mucronine G 	C25H38N4O5	474.28422	NA	MeJP	NA	NA
+MJ070240	Zizyphine D 	C25H38N4O5	474.28422	NA	MeJP	NA	NA
+PJ002222	VLLM 	C22H42N4O5S	474.2876	NA	PeJP	NA	NA
+PJ002223	ATKR 	C19H38N8O6	474.2915	NA	PeJP	NA	NA
+MJ070241	1,3,12,20-Tetrahydroxywitha-5,24-dienolide 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070242	11,15(17)-Trinervitadiene-3,9,13-triol, 9-Ac, 3,13-dipropanoyl 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070243	12,16,22-Trihydroxy-24-methyl-24-oxo-25-scalaranoic acid, 25?12 Lactone, 22-Ac 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070244	22,25-Epoxy-3,11-dihydroxy-24-methylfurostano-18,20-lactone 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070245	3,14,16-Trihydroxycard-20(22)-enolide, 16-O-(3-Methylbutanoyl) 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070246	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2-pentenoyl) 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070247	4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-Octanoyl 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070248	5,6,21-Trihydroxy-1-oxowith-24-enolide 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070249	6,7-Epoxy-1,3,5-trihydroxywith-24-enolide 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070250	Ambruticin 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070251	Cochlioquinone A; 8-Epimer, 11-deoxy, O-de-Ac, 20-ketone, hydroquinone 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070252	Ingenol; 20-Octanoyl 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070253	Periplocagenin 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070254	Pubescenol 	C28H42O6	474.298139	NA	MeJP	NA	NA
+MJ070255	Protomethine; N9-E-Cinnamoyl 	C29H38N4O2	474.299476	NA	MeJP	NA	NA
+MJ070256	Protomethine; N9-Z-Cinnamoyl 	C29H38N4O2	474.299476	NA	MeJP	NA	NA
+MJ070257	Antibiotic BU 4514N 	C27H42N2O5	474.309372	NA	MeJP	NA	NA
+MJ070258	17,28-Dotriacontadiene-2,4,6,15,31-pentayne-1,8,30-triol 	C32H42O3	474.313395	NA	MeJP	NA	NA
+PJ002224	SLKK 	C21H42N6O6	474.3166	NA	PeJP	NA	NA
+MJ070259	Etzionin 	C26H42N4O4	474.320605	NA	MeJP	NA	NA
+MJ070260	Coryphine 	C31H42N2O2	474.324628	NA	MeJP	NA	NA
+MJ070261	1,3,11-Trihydroxy-23-norgorgost-5-en-13-oic acid 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070262	12,16,25-Trihydroxy-23,25-cyclo-20,24-dimethyl-24-scalaranone, 12-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070263	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070264	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070265	12,16-Dihydroxy-20,24-dimethyl-25,24-scalaranolide, 12-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070266	17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070267	17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070268	24,25-Epoxy-16,24-dihydroxy-20,24-dimethyl-12-scalaranone, 16-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070269	24,25-Epoxy-20,24-dimethyl-16-scalarene-3,12,25-triol, 12-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070270	24,25-Epoxy-24-methyl-16-scalarene-12,22,25-triol, 12-Ac, 25-Me ether 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070271	28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070272	3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 24,28-Didehydro 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070273	3,16,20-Trihydroxy-30-nor-12-oleanen-28-oic acid 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070274	3,20,23-Trihydroxy-29-nor-12-oleanen-28-oic acid 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070275	3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070276	3,29-Dihydroxy-30-nor-20-oxo-28-lupanoic acid 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070277	3,4,16-Trihydroxy-23-nor-12-oleanen-28-oic acid 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070278	3,5,26-Trihydroxycholest-24-en-6-one, 26-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070279	3,6,11-Trihydroxy-9,11-secocholesta-7,22-dien-9-one, 11-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070280	5,8-Epidioxy-24-hydroperoxystigmasta-6,28-dien-3-ol 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070281	9,11-Epoxycholest-7-ene-3,5,6-triol, 6-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070282	Daldinin A; Daldinin A2, 3,4-Dihydro 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070283	Eucosterol; 15-Deoxo, 22R-hydroxy 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070284	Fusidic acid; 16-Epimer, 16-O-de-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070285	Fusidic acid; 16-O-De-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070286	Glaciasterol B; 3-Ac 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070287	Viburnol C 	C29H46O5	474.334524	NA	MeJP	NA	NA
+MJ070288	Carpaine; 1,1',2,2'-Tetradehydro 	C28H46N2O4	474.345757	NA	MeJP	NA	NA
+C08634	Sapelin A	C30H50O4	474.3709	NA	KEGG	NA	NA
+C08789	Bryodulcosigenin	C30H50O4	474.3709	NA	KEGG	NA	NA
+C17419	Soyasapogenol A	C30H50O4	474.3709	NA	KEGG	NA	NA
+MJ070289	1,11,20-Trihydroxy-3-lupanone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070290	1,2-Benzenedicarboxylic acid; Bis(2-ethylnonyl) ester 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070291	12,20,25-Trihydroxydammar-23-en-3-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070292	12-Oleanene-2,3,23,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070293	12-Oleanene-2,3,23,30-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070294	12-Oleanene-3,15,22,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070295	12-Oleanene-3,16,21,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070296	12-Oleanene-3,16,21,30-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070297	12-Oleanene-3,16,22,24-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070298	12-Oleanene-3,16,22,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070299	12-Oleanene-3,16,28,29-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070300	12-Oleanene-3,16,28,30-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070301	12-Oleanene-3,21,22,24-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070302	12-Oleanene-3,21,22,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070303	12-Oleanene-3,21,22,29-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070304	12-Oleanene-3,22,24,29-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070305	12-Oleanene-3,22,24,30-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070306	12-Oleanene-3,6,16,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070307	12-Ursene-1,2,3,30-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070308	13,28-Epoxy-3,16,22-oleananetriol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070309	13,28-Epoxy-3,16,23-oleananetriol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070310	14-Serratene-3,20,21,24-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070311	14-Serratene-3,21,24,30-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070312	16,22-Dihydroxy-23-hopanoic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070313	17,24:20,24-Diepoxydammarane-3,25-diol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070314	2,24,25-Trihydroxytirucall-7-en-3-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070315	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-Alcohol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070316	20(30)-Lupene-1,3,11,29-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070317	20,24-Dihydroxy-3,4-secodammara-4(28),25-dien-3-oic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070318	20,24-Epoxy-4-hydroxy-3,4-secodammar-25-en-3-oic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070319	20,24-Epoxydammarane-3,12,25-triol, 12-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070320	20,24-Epoxydammarane-3,12,25-triol, 3-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070321	20,24-Epoxydammarane-3,24,25-triol, 3-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070322	20,24-Epoxydammarane-3,25,26-triol, 3-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070323	20,25-Dihydroxy-3,4-secodammara-4(28),23-dien-3-oic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070324	22,23-Epoxy-7-tirucallene-3,24,25-triol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070325	22,25-Epoxycycloartane-3,16,24-triol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070326	22,25-Epoxycycloartane-3,16,28-triol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070327	23,24,25-Trihydroxyprotost-13(17)-en-3-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070328	24-Hydroperoxycycloart-25-ene-3,23-diol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070329	3,11,16-Trihydroxycycloartan-24-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070330	3,11,24-Trihydroxy-9,11-secogorgost-5-en-9-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070331	3,11-Dihydroxy-9,11-secoergosta-5,24(28)-dien-9-one, 24S,28-Dihydro, 11-Ac 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070332	3,11-Dihydroxy-9,11-secogorgostan-9-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070333	3,19-Dihydroxy-28-oleananoic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070334	3,19-Dihydroxy-28-ursanoic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070335	3,19:20,24-Diepoxydammarane-3,25-diol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070336	3,20,28-Lupanetriol, 28-Carboxylic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070337	3,22-Dihydroxy-29-hopanoic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070338	3,23,25-Trihydroxytirucall-7-en-24-one 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070339	3,6,16,22-Hopanetetrol, 6-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070340	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Eicosyl ester 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070341	4,4-Dimethylergosta-8,24(28)-diene-2,3,11,12-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070342	9(11)-Arborinene-2,3,7,19-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070343	9(11)-Arborinene-3,7,19,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070344	Abudinol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070345	Cycloart-24-ene-3,16,22,28-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070346	Cycloart-24-ene-3,21,22,23-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070347	Dammar-24-ene-2,3,12,20-tetrol, 12-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070348	Epoxymalabaricol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070349	Gilvanol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070350	Gorgost-5-ene-1,3,11,21-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070351	Gorgost-5-ene-3,9,11,21-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070352	Iridogermanal 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070353	Lanosta-7,9(11)-diene-3,24,25,26-tetrol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070354	Lanosta-8,23-diene-3,22,25-triol, 25-Hydroperoxide 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070355	Odoratol 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070356	Quisquagenin 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070357	Salvilymitol; 3-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070358	Sapelin A 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070359	Sapelin B 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070360	Secoergosterol; 5?,6?-Epoxide 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070361	Shoreic acid 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070362	Spergulagenin A 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070363	Tirucall-7-ene-3,23,24,25-tetrol, 3-Ketone 	C30H50O4	474.37091	NA	MeJP	NA	NA
+MJ070364	2-(4-Hydroxyphenyl)ethanol; 1-O-Tricosanoyl 	C31H54O3	474.407295	NA	MeJP	NA	NA
+MJ070365	2-Hydroxy-3,4-seco-3-friedelanoic aid, Me ester 	C31H54O3	474.407295	NA	MeJP	NA	NA
+MJ070366	24,25,26,26-Tetramethylcholest-23-ene-2,3,6-triol 	C31H54O3	474.407295	NA	MeJP	NA	NA
+MJ070367	Alnuserrutriol 	C31H54O3	474.407295	NA	MeJP	NA	NA
+MJ070368	Capiquinones; Capiquinone H 	C31H54O3	474.407295	NA	MeJP	NA	NA
+MJ070369	Lanost-9(11)-ene-3,24,25-triol, 3-Me ether 	C31H54O3	474.407295	NA	MeJP	NA	NA
+MJ070370	Araguspongine J 	C30H54N2O2	474.418528	NA	MeJP	NA	NA
+MJ070371	20,32-Cyclobishomo-20,22,31-hopatriene, 32-Propyl 	C35H54	474.422551	NA	MeJP	NA	NA
+MJ070372	5,9,25-Dotriacontatrienoic acid 	C32H58O2	474.443681	NA	MeJP	NA	NA
+MJ070373	C34 Botryococcene; 1,2,6,7,21,22,24,29-Octahydro 	C34H66	474.516452	NA	MeJP	NA	NA
+MJ070374	2,4,6-Tribromo-3-methylthio-1H-indole; 5-Bromo 	C9H5Br4NS	474.68762	NA	MeJP	NA	NA
+8301	ACE inhibitor	KRQKYDI	474.76045	MH2+	Inhouse_peptide	NA	peptide
+MJ070375	Bis[2,3-dimercapto-1,4-butanedioato(2-)-S,S']oxotechnetate(1-) 	C8H8O9S4Tc(-)	474.820155	NA	MeJP	NA	NA
+MJ070376	Tetrakis[?-(acetato-O:O')]-?-chlorodiruthenium 	C8H12ClO8Ru2	474.830769	NA	MeJP	NA	NA
+MJ070377	Discorhabdin C; 13-N-Me 	C19H15Br2N3O2	474.953102	NA	MeJP	NA	NA
+HMDB04112	Adenylylselenate	C10H14N5O10PSe	474.964355	NA	HMDB2010	NA	NA
+C05686	Adenylylselenate	C10H14N5O10PSe	474.9644	NA	KEGG	NA	NA
+C14010	Sodium cloxacillin monohydrate	C19H17ClN3O5S	475.0581	NA	KEGG	NA	NA
+C14011	Transferred to D02232	C19H17ClN3O5S	475.0581	NA	KEGG	NA	NA
+C14012	Transferred to D02233	C19H17ClN3O5S	475.0581	NA	KEGG	NA	NA
+C14013	Transferred to D02234	C19H17ClN3O5S	475.0581	NA	KEGG	NA	NA
+C14014	Transferred to D02235	C19H17ClN3O5S	475.0581	NA	KEGG	NA	NA
+C13142	Cefovecin sodium	C17H18N5O6S2	475.0596	NA	KEGG	NA	NA
+MetaCyc03672	2,4-dinitrophenyl-S-glutathione [DNP-SG;S-(2,4-dinitrophenyl)glutathione;]	C16H21N5O10S1	475.100913	NA	metacyc	NA	NA
+FL7AAAGL0015	Pelargonidin 3-(6''-acetylglucoside)	C23H23O11	475.12403	138590-96-2	knapsack	NA	NA
+PJ002225	CCNH 	C16H25N7O6S2	475.1308	NA	PeJP	NA	NA
+MJ070378	Tropenzile; Methobromide 	C24H30BrNO4	475.135821	NA	MeJP	NA	NA
+MJ070379	Keratan sulfate 	C16H29NO13S	475.13596	NA	MeJP	NA	NA
+C11595	E3040 glucuronide	C22H25N3O7S	475.1413	NA	KEGG	NA	NA
+MJ070380	Ertapenem 	C22H25N3O7S	475.14132	NA	MeJP	NA	NA
+MJ070381	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-(di-O-acetyl-?-L-rhamnopyranoside) 	C23H25NO10	475.147846	NA	MeJP	NA	NA
+MJ070382	Sevitropium(1+); Methanesulfonate 	C24H29NO5S2	475.148714	NA	MeJP	NA	NA
+MJ070383	Clathridine B 	C24H21N5O6	475.149183	NA	MeJP	NA	NA
+PJ002226	GPPCC 	C18H29N5O6S2	475.156	NA	PeJP	NA	NA
+PJ002227	NNND 	C16H25N7O10	475.1663	NA	PeJP	NA	NA
+3407	ACE inhibitor	MYY	475.1664	ACE inhibitor	Inhouse_peptide	NA	peptide
+7949	synthetic peptide	YYM	475.1664	ACE inhibitor	Inhouse_peptide	NA	peptide
+7970	synthetic peptide	MYY	475.1664	antioxidative	Inhouse_peptide	NA	peptide
+7971	synthetic peptide	YMY	475.1664	antioxidative	Inhouse_peptide	NA	peptide
+PJ002228	PNDM 	C18H29N5O8S	475.1737	NA	PeJP	NA	NA
+PJ002229	MYY 	C23H29N3O6S	475.1777	NA	PeJP	NA	NA
+MJ070384	Arzoxifene 	C28H29NO4S	475.181729	NA	MeJP	NA	NA
+MJ070385	Raloxifene; 2,3-Dihydro, trans 	C28H29NO4S	475.181729	NA	MeJP	NA	NA
+C16577	Codeine-6-glucuronide	C24H29NO9	475.1842	NA	KEGG	NA	NA
+MJ070386	2,3,10,11-Tetrahydroxytetrahydroberberine, 2-Me ether, 11-O-?-D-glucopyranoside 	C24H29NO9	475.184231	NA	MeJP	NA	NA
+MJ070387	Mederrhodin B 	C24H29NO9	475.184231	NA	MeJP	NA	NA
+MJ070388	Menoxymycin B; Parent acid 	C24H29NO9	475.184231	NA	MeJP	NA	NA
+PJ002230	APCW 	C22H29N5O5S	475.189	NA	PeJP	NA	NA
+PJ002231	AQEE 	C18H29N5O10	475.1915	NA	PeJP	NA	NA
+MJ070389	Pipotiazine 	C24H33N3O3S2	475.196333	NA	MeJP	NA	NA
+C17375	OA-6129 D	C20H33N3O8S	475.1988	NA	KEGG	NA	NA
+MJ070390	Antibiotic OA 6129D 	C20H33N3O8S	475.198835	NA	MeJP	NA	NA
+PJ002232	GDER 	C17H29N7O9	475.2027	NA	PeJP	NA	NA
+MJ070391	N-[[4-[[(4-Amino-2-quinazolinyl)amino]methyl]cyclohexyl]methyl]-1-naphthalenesulfonamide 	C26H29N5O2S	475.204195	NA	MeJP	NA	NA
+PJ002233	AAEW 	C22H29N5O7	475.2067	NA	PeJP	NA	NA
+MJ070392	Monatepil 	C28H30FN3OS	475.209361	NA	MeJP	NA	NA
+PJ002234	PTQM 	C19H33N5O7S	475.2101	NA	PeJP	NA	NA
+PJ002235	FFY 	C27H29N3O5	475.2107	NA	PeJP	NA	NA
+PJ002236	DRW 	C21H29N7O6	475.218	NA	PeJP	NA	NA
+MJ070393	Ipanguline D3; 2''-Epimer, 7-O-(phenylacetyl), 2'',3''-di-Ac 	C25H33NO8	475.220617	NA	MeJP	NA	NA
+MJ070394	Ipanguline D3; 7-O-(Phenylacetyl), 2'',3''-di-Ac 	C25H33NO8	475.220617	NA	MeJP	NA	NA
+MJ070395	Lankacidin Q 	C25H33NO8	475.220617	NA	MeJP	NA	NA
+PJ002237	PTCR 	C18H33N7O6S	475.2213	NA	PeJP	NA	NA
+PJ002238	SLQE 	C19H33N5O9	475.2278	NA	PeJP	NA	NA
+PJ002239	AKEE 	C19H33N5O9	475.2279	NA	PeJP	NA	NA
+MJ070396	Sibiromycin 	C24H33N3O7	475.23185	NA	MeJP	NA	NA
+MJ070397	1,2,15-Hetisantriol, 2-Benzoyl, 1-Ac 	C29H33NO5	475.235873	NA	MeJP	NA	NA
+MJ070398	Ecipramidil 	C29H33NO5	475.235873	NA	MeJP	NA	NA
+MJ070399	Sanyonamine; 11?-Acetoxy, 2-benzoyl 	C29H33NO5	475.235873	NA	MeJP	NA	NA
+MJ070400	5-(4-Chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)-1H-pyrazole-3-carboxamide 	C29H34ClN3O	475.23904	NA	MeJP	NA	NA
+PJ002240	ATER 	C18H33N7O8	475.2391	NA	PeJP	NA	NA
+MJ070401	Stellarin G 	C23H33N5O6	475.243083	NA	MeJP	NA	NA
+PJ002241	GTLW 	C23H33N5O6	475.2431	NA	PeJP	NA	NA
+MJ070402	Fluspirilene 	C29H31F2N3O	475.243519	NA	MeJP	NA	NA
+PJ002242	PTKM 	C20H37N5O6S	475.2465	NA	PeJP	NA	NA
+MJ070403	Paraherquamide C 	C28H33N3O4	475.247106	NA	MeJP	NA	NA
+PJ002243	GPFR 	C22H33N7O5	475.2543	NA	PeJP	NA	NA
+MJ070404	Delpheline; 2,3-Didehydro, Ac, N-de-Et, N-Me 	C26H37NO7	475.257002	NA	MeJP	NA	NA
+MJ070405	Delpheline; 6-Ketone, O14-de-Me, O14-Ac 	C26H37NO7	475.257002	NA	MeJP	NA	NA
+MJ070406	Heteratisine; O6,O8-Di-Ac 	C26H37NO7	475.257002	NA	MeJP	NA	NA
+MJ070407	Ipanguline D3; 7-O-(Phenylacetyl), 3''-(2-methylbutanoyl) 	C26H37NO7	475.257002	NA	MeJP	NA	NA
+PJ002244	GLMR 	C19H37N7O5S	475.2577	NA	PeJP	NA	NA
+PJ002245	SLKE 	C20H37N5O8	475.2642	NA	PeJP	NA	NA
+MJ070408	Sisomicin; 2'-N-Formyl 	C20H37N5O8	475.264213	NA	MeJP	NA	NA
+EUR825	Lyso PE 16:0 [M+Na]+	C21H44NO7P	475.267488	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR825	Lyso PE 16:0 [M+Na]+	C21H44NO7P	475.267488	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR825	Lyso PE 16:0 [M+Na]+	C21H44NO7P	475.267488	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR825	Lyso PE 16:0 [M+Na]+	C21H44NO7P	475.267488	masses lipides attendues	Inhousejuil11	NA	NA
+EUR849	Lyso PE 18:3 monoisotopic mass 	C23H42NO7P	475.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR849	Lyso PE 18:3 monoisotopic mass 	C23H42NO7P	475.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR849	Lyso PE 18:3 monoisotopic mass 	C23H42NO7P	475.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR849	Lyso PE 18:3 monoisotopic mass 	C23H42NO7P	475.269892	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11478	LysoPE(0:0/18:3(6Z,9Z,12Z))	C23H42NO7P	475.269897	NA	HMDB2010	NA	NA
+HMDB11479	LysoPE(0:0/18:3(9Z,12Z,15Z))	C23H42NO7P	475.269897	NA	HMDB2010	NA	NA
+HMDB11508	LysoPE(18:3(6Z,9Z,12Z)/0:0)	C23H42NO7P	475.269897	NA	HMDB2010	NA	NA
+HMDB11509	LysoPE(18:3(9Z,12Z,15Z)/0:0)	C23H42NO7P	475.269897	NA	HMDB2010	NA	NA
+PJ002246	STLR 	C19H37N7O7	475.2755	NA	PeJP	NA	NA
+PJ002247	VVKM 	C21H41N5O5S	475.2829	NA	PeJP	NA	NA
+MJ070409	Alangimarckine 	C29H37N3O3	475.283492	NA	MeJP	NA	NA
+MJ070410	Alangium Alkaloid AL64 	C29H37N3O3	475.283492	NA	MeJP	NA	NA
+MJ070411	Tubulosine 	C29H37N3O3	475.283492	NA	MeJP	NA	NA
+C09248	Tubulosine	C29H37N3O3	475.2835	NA	KEGG	NA	NA
+C09328	Alangimarckine	C29H37N3O3	475.2835	NA	KEGG	NA	NA
+MJ070412	Funiculosin; 2''-Deoxy 	C27H41NO6	475.293388	NA	MeJP	NA	NA
+MJ070413	Netilmicin 	C21H41N5O7	475.300598	NA	MeJP	NA	NA
+C07657	Netilmicin	C21H41N5O7	475.3006	NA	KEGG	NA	NA
+MJ070414	Anhydroholantogenin; 4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside 	C28H45NO5	475.329773	NA	MeJP	NA	NA
+MJ070415	Anhydroholantogenin; 4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-xylo-hexopyranoside 	C28H45NO5	475.329773	NA	MeJP	NA	NA
+MJ070416	Anhydroholantogenin; 4-Amino-2,4,6-trideoxy-3-O-methyl-?-L-arabino-hexopyranoside 	C28H45NO5	475.329773	NA	MeJP	NA	NA
+8239	Antioxidative peptide	LSKAQSDFG	475.72645	MH2+	Inhouse_peptide	NA	peptide
+2896	neuropeptide from eyestalk of Macrobrachium rosenb	KNEFIRF~	475.75795	MH2+	Inhouse_peptide	NA	peptide
+MJ070417	1,1,7-Tribromo-2,6,8-trichloro-3,7-dimethyl-3-octene 	C10H14Br3Cl3	475.771121	NA	MeJP	NA	NA
+MJ070418	1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-3-octene 	C10H14Br3Cl3	475.771121	NA	MeJP	NA	NA
+MJ070419	4-Bromo-3-(1-hydroxybutyl)-5-methoxy-5-methyl-2(5H)-furanone, 1'',1''-Dibromo, Ac 	C12H15Br3O5	475.846961	NA	MeJP	NA	NA
+MJ070420	Russuphelin C; 1-Me ether 	C19H12Cl4O6	475.938798	NA	MeJP	NA	NA
+FL3FECNSS005	6-Methoxyluteolin 3',4'-disulfate	C16H12O13S2	475.97193	111509-40-1	knapsack	NA	NA
+FL3FECNSS007	6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate	C16H12O13S2	475.97193	111509-41-2	knapsack	NA	NA
+FL5FADNSS003	Isorhamnetin 3,7-di-O-sulfate	C16H12O13S2	475.97193	79174-97-3	knapsack	NA	NA
+FL5FADNSS004	Isorhamnetin 3,4'-di-O-sulfate	C16H12O13S2	475.97193	110209-95-5	knapsack	NA	NA
+FL5FCCNSS003	Quercetin 7-methyl ether 3,3'-disulfate;Rhamnetin 3,3'-disulfate;5-Hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one	C16H12O13S2	475.97193	116353-78-7	knapsack	NA	NA
+MJ070421	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 3',4'-Di-O-sulfate 	C16H12O13S2	475.971931	NA	MeJP	NA	NA
+MJ070422	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3,3'-O-Disulfate 	C16H12O13S2	475.971931	NA	MeJP	NA	NA
+MJ070423	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,4'-Di-O-sulfate 	C16H12O13S2	475.971931	NA	MeJP	NA	NA
+MJ070424	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,7-Di-O-sulfate 	C16H12O13S2	475.971931	NA	MeJP	NA	NA
+MJ070425	4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 6,7-Di-O-sulfate 	C16H12O13S2	475.971931	NA	MeJP	NA	NA
+MJ070426	Adenylylselenate 	C10H15N5O10PSe	475.972175	NA	MeJP	NA	NA
+MJ070427	Ebrotidine 	C14H17BrN6O2S3	475.975848	NA	MeJP	NA	NA
+MJ070428	Antibiotic BE 40665D 	C22H21BrO7	476.047065	NA	MeJP	NA	NA
+MJ070429	Fringelite F 	C28H12O8	476.053217	NA	MeJP	NA	NA
+MJ070430	Angasiol 	C20H30Br2O3	476.05617	NA	MeJP	NA	NA
+MJ070431	Neoirienone 	C20H30Br2O3	476.05617	NA	MeJP	NA	NA
+MJ070432	6-Bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylic acid; Et ester 	C22H25BrN2O3S	476.076926	NA	MeJP	NA	NA
+MJ070433	Suxethonium(2+); Dibromide 	C16H34Br2N2O4	476.088532	NA	MeJP	NA	NA
+FL3FACGS0011	Luteolin 7-methylglucuronide	C22H20O12	476.09547	76939-42-9	knapsack	NA	NA
+FL3FACGS0071	Luteolin 5-glucuronide-6''-methyl ester;2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid methyl ester	C22H20O12	476.09547	180031-60-1	knapsack	NA	NA
+FL3FADGS0005	Luteolin 3'-methyl ether 7-glucuronide	C22H20O12	476.09547	29741-07-9	knapsack	NA	NA
+FL3FAEGS0002	Luteolin 4'-methyl ether 7-glucuronide	C22H20O12	476.09547	35110-20-4	knapsack	NA	NA
+FL3FALGS0005	Isoetin 2'-(4''-acetylxyloside)	C22H20O12	476.09547	134981-96-7	knapsack	NA	NA
+FL3FEAGS0016	Hispidulin 7-glucuronide	C22H20O12	476.09547	31105-76-7	knapsack	NA	NA
+FL3FEAGS0044	Scutellarein 4'-methyl ether 7-glucuronide;Clerodendroside	C22H20O12	476.09547	64924-06-7	knapsack	NA	NA
+FL3FF8GS0001	5,7,2'-Trihydroxy-8-methoxyflavone 7-glucuronide	C22H20O12	476.09547	-	knapsack	NA	NA
+FL3FFAGS0007	Isoscutellarein 4'-methyl ether 8-glucuronide	C22H20O12	476.09547	71815-36-6	knapsack	NA	NA
+FL5FABGS0003	Kaempferide 3-glucuronide	C22H20O12	476.09547	71926-08-4	knapsack	NA	NA
+FL5FACGS0046	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)	C22H20O12	476.09547	54716-89-1	knapsack	NA	NA
+FL5FCAGS0003	Rhamnocitrin 3-glucuronide	C22H20O12	476.09547	52936-61-5	knapsack	NA	NA
+FL5FDAGS0005	Kaempferol 3-methyl ether 7-glucuronide;Bracteoside;5-Hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-1-benzopyran-7-yl  beta-D-glucopyranosiduronic acid	C22H20O12	476.09547	352312-68-6	knapsack	NA	NA
+FL5FEAGL0009	Gomphrenol 3-glucoside	C22H20O12	476.09547	121068-97-1	knapsack	NA	NA
+FL5FFAGS0021	Herbacetin 8-(3''-acetyl-alpha-L-arabinopyranoside)	C22H20O12	476.09547	58902-11-7	knapsack	NA	NA
+FL5FFAGS0022	Herbacetin 8-(3''-acetylxyloside)	C22H20O12	476.09547	68385-35-3	knapsack	NA	NA
+MJ070434	2',4',5,5',7-Pentahydroxyflavone; 2'-O-(4-O-Acetyl-?-D-xylopyranoside) 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070435	2',5,6,7-Tetrahydroxyflavone; 6-Me ether, 7-O-?-D-glucuronopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070436	2',5,7,8-Tetrahydroxyflavone; 8-Me ether, 7-O-?-D-glucuronoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070437	3',4',5,7-Tetrahydroxyflavone; 5-O-?-D-Glucuronopyranoside, Me ester 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070438	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070439	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070440	3,4',5,6,7-Pentahydroxyflavone; 6,7-Methylene ether, 3-O-?-D-glucopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070441	3,4',5,7,8-Pentahydroxyflavone; 8-O-(3-O-Acetyl-?-D-xylopyranoside) 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070442	3,4',5,7,8-Pentahydroxyflavone; 8-O-(3-O-Acetyl-?-L-arabinopyranoside) 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070443	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronopyranoside, Me ester 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070444	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Glucuronoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070445	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Glucuronopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070446	4',5,7,8-Tetrahydroxyflavone; 8-O-?-D-Glucuronopyranoside, Me ester 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070447	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-?-D-Glucuronoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070448	4',5,7-Trihydroxy-3-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070449	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070450	5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070451	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070452	Desmoxyphyllin B; 5-Hydroxy, 7-O-?-D-glucopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070453	Ellagic acid; 2,3,8-Tri-Me ether, 7-O-?-D-xylopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070454	Ellagic acid; 3,8-Di-Me ether, 2-O-?-L-rhamnopyranoside 	C22H20O12	476.095476	NA	MeJP	NA	NA
+MJ070455	7-Chloro-5a,11a-didehydrotetracycline 	C22H21ClN2O8	476.098643	NA	MeJP	NA	NA
+MJ070456	Aureomycin; 12-ketone 	C22H21ClN2O8	476.098643	NA	MeJP	NA	NA
+MJ070457	Meclocycline 	C22H21ClN2O8	476.098643	NA	MeJP	NA	NA
+C13976	Carfecillin sodium	C23H21N2O6S	476.1018	NA	KEGG	NA	NA
+C13977	Transferred to D02200	C23H21N2O6S	476.1018	NA	KEGG	NA	NA
+MJ070458	Xanthoviridicatin D 	C26H20O9	476.110732	NA	MeJP	NA	NA
+PJ002248	CCDH 	C16H24N6O7S2	476.1148	NA	PeJP	NA	NA
+MJ070459	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Chloral hemiacetal, Ac 	C23H31Cl3O4	476.128792	NA	MeJP	NA	NA
+FL2FAAGS0023	Naringenin 7-O-beta-D-glucoside 6''-acetate;5,7,4'-Trihydroxyflavanone 7-(6-acetylglucoside)	C23H24O11	476.13186	252324-55-3	knapsack	NA	NA
+FL3FBDGS0001	Luteolin 5,3'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	172853-43-9	knapsack	NA	NA
+FL3FCDCS0001	Orientin 7,3'-dimethyl ether	C23H24O11	476.13186	89915-55-9	knapsack	NA	NA
+FL3FCDCS0002	Isoorientin 7,3'-dimethyl ether;7,3'-Di-O-methylisoorientin;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	74198-15-5	knapsack	NA	NA
+FL3FCDGS0002	Luteolin 7,3'-dimethyl ether 5-glucoside	C23H24O11	476.13186	83133-15-7	knapsack	NA	NA
+FL3FCDGS0003	Luteolin 7,3'-dimethyl ether 4'-glucoside	C23H24O11	476.13186	30271-21-7	knapsack	NA	NA
+FL3FCECS0001	6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	135625-46-6	knapsack	NA	NA
+FL3FCEGS0001	Luteolin 7,4'-dimethyl ether 3'-glucoside	C23H24O11	476.13186	110559-12-1	knapsack	NA	NA
+FL3FDCCS0001	Parkinsonin B;2-(3,4-dihydroxyphenyl)-8-alpha-D-Glucopyranosyl-5,7-dimethoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	6980-22-9	knapsack	NA	NA
+FL3FEACS0001	Abrusin;8-C-Glucosyl-6,7-di-O-methyl-scutellarein;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	120727-02-8	knapsack	NA	NA
+FL3FEAGS0018	Scutellarein 6,7-dimethyl ether 4'-glucoside	C23H24O11	476.13186	13020-19-4	knapsack	NA	NA
+FL3FEAGS0021	Pectolinarigenin 7-glucoside	C23H24O11	476.13186	53452-12-3	knapsack	NA	NA
+FL3FEAGS0026	Scutellarein 7,4'-dimethyl ether 6-glucoside	C23H24O11	476.13186	57498-69-8	knapsack	NA	NA
+FL3FEAGS0052	Scutellarein 5,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-6-hydroxy-5-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C23H24O11	476.13186	186466-61-5	knapsack	NA	NA
+FL3FECGS0051	6-Hydroxyluteolin 6,3'-dimethyl eter 5-rhamnoside;5-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	223692-52-2	knapsack	NA	NA
+FL3FF8GS0010	Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	175991-74-9	knapsack	NA	NA
+FL3FFACS0002	Swertisin 8-methyl ether;Precatorin I;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	120727-05-1	knapsack	NA	NA
+FL5FCBGL0001	Kaempferol 7,4'-dimethyl ether 3-glucoside;3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C23H24O11	476.13186	52208-77-2	knapsack	NA	NA
+FL5FCFGS0001	Quercetin 7,3',4'-trimethyl ether 3-alpha-L-arabinopyranoside	C23H24O11	476.13186	96910-92-8	knapsack	NA	NA
+FL5FDAGS0004	Camaroside	C23H24O11	476.13186	150853-97-7	knapsack	NA	NA
+FL5FDAGS0006	Kaempferol 3,5-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one	C23H24O11	476.13186	223920-19-2	knapsack	NA	NA
+FL5FDBGS0001	Ermanin 7-glucoside	C23H24O11	476.13186	41756-09-6	knapsack	NA	NA
+FL5FDECS0001	5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside	C23H24O11	476.13186	106132-80-3	knapsack	NA	NA
+FL5FDEGS0003	Quercetin 3,4'-dimethyl ether 7-rutinoside	C23H24O11	476.13186	-	knapsack	NA	NA
+FL5FEAGS0013	Eupalin	C23H24O11	476.13186	29617-75-2	knapsack	NA	NA
+FL5FEAGS0014	Eupalitin 5-rhamnoside	C23H24O11	476.13186	71468-51-4	knapsack	NA	NA
+FLIA1LGS0003	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside	C23H24O11	476.13186	113235-89-5	knapsack	NA	NA
+FLIAEACS0001	Volubilinin	C23H24O11	476.13186	58930-58-8	knapsack	NA	NA
+FLIAEAGS0004	Irisolidone 7-O-glucoside;Kakkalidone	C23H24O11	476.13186	6009-88-7	knapsack	NA	NA
+FLIAEAGS0005	7-O-Methyltectorigenin 4'-O-glucoside	C23H24O11	476.13186	19316-92-8	knapsack	NA	NA
+FLIAEAGS0010	7-O-Methyltectorigenin 4'-O-galactoside	C23H24O11	476.13186	116988-14-8	knapsack	NA	NA
+FLIB1LGS0001	Onogenin 7-O-glucoside;Onoside	C23H24O11	476.13186	96304-52-8	knapsack	NA	NA
+MJ070460	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2,5-Di-Me ether, 4-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070461	1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 4,7-Di-Me ether, 3-O-?-L-rhamnopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070462	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 1-O-?-D-galactopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070463	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 1-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070464	10-Hydroxyaloin, 6'-Ac 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070465	2',3',4',7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070466	2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether, 2'-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070467	3',4',5',6-Tetrahydroxyflavanone; 3',4'-Methylene, 5'-Me ether, 6-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070468	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070469	3',4',6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070470	3',5-Dihydroxy-4',7-dimethoxyflavone; 3'-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070471	3,3',4',5,7-Pentahydroxy-8-C-rhamnopyranosylflavone; 3,4'-Di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070472	3,4',5,7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 3-O-?-L-rhamnopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070473	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070474	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070475	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 5-O-?-L-Rhamnopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070476	3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-?-L-Arabinopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070477	3,5-Dihydroxy-4',7-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070478	4',5,6,7-Tetrahydroxyflavone; 4',5-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070479	4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070480	4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-?-D-galactopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070481	4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070482	4',5,7,8-Tetrahydroxyisoflavone; 4',8-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070483	4',5,7-Trihydroxy-3',6-dimethoxyflavone; 5-O-?-L-Rhamnopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070484	4',5,7-Trihydroxyflavanone, 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070485	4',5-Dihydroxy-3',7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070486	4',5-Dihydroxy-3',7-dimethoxyflavone; 5-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070487	4',5-Dihydroxy-3,7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070488	4',5-Dihydroxy-6,7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070489	4',5-Dihydroxy-6,7-dimethoxyflavone; 5-O-?-D-Galactopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070490	4',7-Dihydroxy-3',5-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070491	4',7-Dihydroxy-3',5-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070492	5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070493	5,7-Dihydroxy-3,4'-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070494	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070495	6-C-Glucopyranosyl-4',5,7,8-tetrahydroxyflavone; 7,8-Di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070496	8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 3',5-Di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070497	Abrusin 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070498	Aloin, 7-Hydroxy, 6'-Ac 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070499	Crenatoside; 3-De-O-rhamnosyl 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070500	Granatomycin D; 10-Hydroxy, Me ester 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070501	Isoorientin; 3',7-Di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070502	Isoorientin; 4',7-Di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070503	Orientin; 1''-Epimer, 5,7-di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070504	Orientin; 3',7-Di-Me ether 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070505	Volubilinin 	C23H24O11	476.131861	NA	MeJP	NA	NA
+MJ070506	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside 	C23H25O11(+)	476.131861	NA	MeJP	NA	NA
+MJ070507	Antibiotic SB 217452 	C16H24N6O9S	476.132547	NA	MeJP	NA	NA
+MJ070508	Streptonigrin; 10'-Demethoxy 	C24H20N4O7	476.133199	NA	MeJP	NA	NA
+MJ070509	Acefurtiamine 	C21H24N4O7S	476.136569	NA	MeJP	NA	NA
+MJ070510	Temocapril 	C23H28N2O5S2	476.143963	NA	MeJP	NA	NA
+MJ070511	Feclobuzone 	C27H25ClN2O4	476.150285	NA	MeJP	NA	NA
+PJ002249	NNDD 	C16H24N6O11	476.1503	NA	PeJP	NA	NA
+PJ002250	SCMH 	C17H28N6O6S2	476.1512	NA	PeJP	NA	NA
+MJ070512	10-Hydroxyoleoside, 10-Ac, di-Me ester 	C20H28O13	476.15299	NA	MeJP	NA	NA
+MJ070513	2,4-Dihydroxybenzoic acid; 4-Me ether, Me ester, 2-O-[?-D-xylopyranosyl(1?6)-?-D-glucopyranoside] 	C20H28O13	476.15299	NA	MeJP	NA	NA
+MJ070514	2,5-Dihydroxybenzoic acid; 5-Me ether, 2-O-[ ?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside], Me ester 	C20H28O13	476.15299	NA	MeJP	NA	NA
+MJ070515	3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C20H28O13	476.15299	NA	MeJP	NA	NA
+MJ070516	Arabinitol, 5-O-(6-O-3,4-Dihydroxy-E-cinnamoyl-?-D-glucopyranoside) 	C20H28O13	476.15299	NA	MeJP	NA	NA
+MJ070517	5-(13-Methyltetradecyl)-1,3-benzenediol; Di-O-sulfate 	C21H32O8S2	476.153859	NA	MeJP	NA	NA
+PJ002251	PDDM 	C18H28N4O9S	476.1577	NA	PeJP	NA	NA
+MJ070518	Mitrasulgynine 	C23H28N2O7S	476.161721	NA	MeJP	NA	NA
+FL2FABGM0001	Matteucinol 7-O-glucoside	C24H28O10	476.16824	101395-11-3	knapsack	NA	NA
+MJ070519	1,10:2,3-Diepoxy-8,15-dihydroxy-4,11(13)-germacradien-12,6-olide; 8-(2-Acetoxymethyl-2Z-butenoyl), 15-Ac 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070520	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-(3-Methyl-2-butenoyl), 13,14-di-Ac 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070521	1,10:4,5-Diepoxy-8,13,14-trihydroxy-2,7(11)-germacradien-12,6-olide, 8-Angeloyl, 13,14-di-Ac 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070522	10,14-Epoxy-2,8,9-trihydroxy-3,11(13)-guaiadien-12,6-olide, 8-(2-Acetoxy-2E-butenoyl), 9-Ac 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070523	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[(2E-Butenoyl)-(?6)-?-D-glucopyranoside] 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070524	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 13,14-di-Ac 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070525	2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis(2-methylpropenoyl), Me ester 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070526	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-D-glucopyranoside] 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070527	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070528	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-?-D-glucopyranoside 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070529	Agrimonolide, 6-O-?-D-Glucopyranoside 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070530	Aloesin; 2'-O-Tigloyl 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070531	Aucubigenin; 1-O-(6-O-Cinnamoyl-?-D-glucopyranoside) 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070532	Aucubigenin; 10-O-Cinnamoyl, 1-O-?-D-glucopyranoside 	C24H28O10	476.168247	NA	MeJP	NA	NA
+MJ070533	Bipinnatin B; 15S,16-Epoxide, 17-deoxo 	C24H28O10	476.168247	NA	MeJP	NA	NA
+PJ002252	GSPCN 	C17H28N6O8S	476.169	NA	PeJP	NA	NA
+MJ070534	Ribitol; 3,4-Di-O-?-D-glucopyranoside 	C17H32O15	476.17412	NA	MeJP	NA	NA
+PJ002253	AEEE 	C18H28N4O11	476.1755	NA	PeJP	NA	NA
+MJ070535	2-(4-Allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol, 3,4-Methylene, 3',5'-di-Me ether, benzoyl 	C28H28O7	476.183503	NA	MeJP	NA	NA
+MJ070536	Garcinisidone C 	C28H28O7	476.183503	NA	MeJP	NA	NA
+MJ070537	Garcinisidone D 	C28H28O7	476.183503	NA	MeJP	NA	NA
+PJ002254	ACHF 	C21H28N6O5S	476.1842	NA	PeJP	NA	NA
+MJ070538	Win 45306; N,N'-Di-Me 	C26H25FN4O4	476.185983	NA	MeJP	NA	NA
+PJ002255	SNQE 	C17H28N6O10	476.1867	NA	PeJP	NA	NA
+MJ070539	Ircinianin; Sulfate 	C25H32O7S	476.186874	NA	MeJP	NA	NA
+MJ070540	1,2,4-Benzenetriol; 1,2-Di-Me ether, 4-O-[3-O-methyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C21H32O12	476.189376	NA	MeJP	NA	NA
+MJ070541	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C21H32O12	476.189376	NA	MeJP	NA	NA
+MJ070542	4-Isopropyl-1,2-benzenediol; 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C21H32O12	476.189376	NA	MeJP	NA	NA
+MJ070543	Kanokoside A 	C21H32O12	476.189376	NA	MeJP	NA	NA
+C17428	Kanokoside A	C21H32O12	476.1894	NA	KEGG	NA	NA
+3770	ACE inhibitor	AHSY	476.19	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002256	PTEM 	C19H32N4O8S	476.1941	NA	PeJP	NA	NA
+MJ070544	Camptothecin, 10-Methoxy, 20-hexanoyl 	C27H28N2O6	476.194736	NA	MeJP	NA	NA
+MJ070545	Katsumadain A 	C32H28O4	476.198759	NA	MeJP	NA	NA
+MJ070546	Katsumadain B 	C32H28O4	476.198759	NA	MeJP	NA	NA
+PJ002257	GSQW 	C21H28N6O7	476.202	NA	PeJP	NA	NA
+C11132	2-Methoxyestrone 3-glucuronide	C25H32O9	476.2046	NA	KEGG	NA	NA
+MJ070547	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 1,8-Bis(2,3-epoxy-2-methylbutanoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070548	1,8,9-Trihydroxy-3,11(13)-eudesmadien-12,6-olide, 8,9-Bis(2,3-epoxy-2-methylbutanoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070549	3,3',4,4',5,5',7-Heptamethoxy-7,9':7',9-diepoxylignan 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070550	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-(3-methyl-2-oxobutanoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070551	5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-?-D-Glucopyranoside 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070552	6-Hydroxychaparrin; 6?-form, 12-Ketone, 6-O-(3-methyl-2-butenoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070553	6-Hydroxychaparrin; 6?-form, 13,18-Didehydro, 6-O-(3-methyl-2-butenoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070554	6-Hydroxychaparrin; 6?-form, 2-Ketone, 6-O-(3-methyl-2-butenoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070555	6-Hydroxychaparrin; 6?-form, 2-Ketone, 6-tigloyl 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070556	8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-[[2-[(3,4-Dihydroxy-2-methylenebutanoyl)oxy]methyl]-4-hydroxy-2E-butenoyl] 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070557	Alnusdiol; 11-O-?-D-Glucopyranoside 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070558	Aurovertin B; 1''-Hydroxy 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070559	Glaucarubol; 13,18-Didehydro, 2-ketone, 15-(2-methylbutanoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070560	Schkuhripinnatolide A; 8-(4-Hydroxy-2-hydroxymethyl-2-butenoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+MJ070561	Simalikalactone D; 15-Deacyl, 15-(3-methyl-2-butenoyl) 	C25H32O9	476.204632	NA	MeJP	NA	NA
+PJ002258	AQQM 	C18H32N6O7S	476.2053	NA	PeJP	NA	NA
+PJ002259	GGGGVM 	C18H32N6O7S	476.2054	NA	PeJP	NA	NA
+PJ002260	SLEE 	C19H32N4O10	476.2119	NA	PeJP	NA	NA
+PJ002261	PVMM 	C20H36N4O5S2	476.2127	NA	PeJP	NA	NA
+PJ002262	SPHH 	C20H28N8O6	476.2132	NA	PeJP	NA	NA
+PJ002263	GNMR 	C17H32N8O6S	476.2166	NA	PeJP	NA	NA
+MJ070562	Estra-1,3,5(10)-triene-3,16,17-triol, 3-Benzoyl, 16,17-di-Ac 	C29H32O6	476.219888	NA	MeJP	NA	NA
+MJ070563	Flunisolide; 21-Ac 	C26H33FO7	476.221031	NA	MeJP	NA	NA
+HMDB04999	Loperamide	C29H33ClN2O2	476.22305	http://www.hmdb.ca/metabolites/HMDB04999	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04999	Loperamide	C29H33ClN2O2	476.22305	http://www.hmdb.ca/metabolites/HMDB04999	HMDB	NA	NA
+HMDB04999	Loperamide	C29H33ClN2O2	476.22305	http://www.hmdb.ca/metabolites/HMDB04999	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04999	Loperamide	C29H33ClN2O2	476.22305	HMDB04999	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04999	Loperamide	C29H33ClN2O2	476.223053	NA	HMDB2010	NA	NA
+MJ070564	Loperamide 	C29H33ClN2O2	476.223056	NA	MeJP	NA	NA
+C07080	Loperamide	C29H33ClN2O2	476.2231	NA	KEGG	NA	NA
+C07081	Transferred to D00364	C29H33ClN2O2	476.2231	NA	KEGG	NA	NA
+C07082	Transferred to D00365	C29H33ClN2O2	476.2231	NA	KEGG	NA	NA
+PJ002264	SNKE 	C18H32N6O9	476.2231	NA	PeJP	NA	NA
+PJ002265	PPTY 	C23H32N4O7	476.2271	NA	PeJP	NA	NA
+PJ002266	VVEM 	C20H36N4O7S	476.2305	NA	PeJP	NA	NA
+3417	ACE inhibitor	PTHIKWGD	476.23095	MH2+	Inhouse_peptide	NA	peptide
+MJ070565	20-Hydroxycylindrocarine; N-Benzoyl 	C28H32N2O5	476.231122	NA	MeJP	NA	NA
+MJ070566	N-[17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-2-propenamide 	C28H32N2O5	476.231122	NA	MeJP	NA	NA
+PJ002267	SSQR 	C17H32N8O8	476.2343	NA	PeJP	NA	NA
+PJ002268	GSKW 	C22H32N6O6	476.2384	NA	PeJP	NA	NA
+C11061	all-trans-Retinoyl-beta-glucuronide	C26H36O8	476.241	NA	KEGG	NA	NA
+MJ070567	1,2,3,11-Tetrahydroxy-16-kauren-15-one, 2,3,11-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070568	1,3,7,14-Tetrahydroxy-16-kauren-15-one, 1,3,14-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070569	1,3,7,14-Tetrahydroxy-16-kauren-15-one, 1,3,7-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070570	16-Kaurene-1,3,7,11,15-pentol, 15-Ketone, 1,7,11-tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070571	16-Kaurene-3,6,7,11,15-pentol, 11-Ketone, 3,7,15-tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070572	16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, 3,6,7-tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070573	17,18-Epoxy-1(19),6,10(17),14-xenicatetraene-11,13,18-triol; 6?,7?-Epoxide, tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070574	17,18-Epoxy-1(19),6,10(17),14-xenicatetraene-9,11,13,18-tetrol; 11,13,18-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070575	18,19-Epoxy-12,14-clerodadiene-2,6,18,19-tetrol, 6-Ketone, 2,18,19-tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070576	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2,18,19-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070577	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-(2-Methylpropanoyl), 6-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070578	2,3,6,11-Tetrahydroxy-16-kauren-15-one, 2,3,6-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070579	2,3,7,14-Tetrahydroxy-16-kauren-15-one, 2,3,14-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070580	2,3,7,14-Tetrahydroxy-16-kauren-15-one, 2,3,7-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070581	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 2,9,10-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070582	2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 9-Ketone, 2-butanoyl, 14-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070583	4(20),11-Taxadiene-5,7,9,10,13-pentol, 13-Ketone, 7,9,10-tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070584	7,20-Epoxy-16-kaurene-6,7,11,15-tetrol, 6,11,15-Tri-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070585	8,17-Epoxy-2,9,12-trihydroxy-5,13-briaradien-18,7-olide, 2-Butanoyl, 12-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070586	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 2-Butanoyl, 14-Ac 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070587	Austalide H 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070588	Waixenicin B 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070589	Xenicin; O8-De-Ac, 12-epimer 	C26H36O8	476.241018	NA	MeJP	NA	NA
+MJ070590	Xeniculin 	C26H36O8	476.241018	NA	MeJP	NA	NA
+HMDB03141	Retinoyl b-glucuronide	C26H36O8	476.241028	NA	HMDB2010	NA	NA
+HMDB03141	Retinoyl beta-glucuronide	C26H36O8	476.24103	http://www.hmdb.ca/metabolites/HMDB03141	HMDB	NA	NA
+HMDB03141	Retinoyl beta-glucuronide	C26H36O8	476.24103	HMDB03141	PFEM_hmdb_metabocards_official	NA	NA
+7567	ACE inhibitor	KVREGTTY	476.2415	MH2+	Inhouse_peptide	NA	peptide
+PJ002269	AQKM 	C19H36N6O6S	476.2417	NA	PeJP	NA	NA
+MJ070591	Variabiline 	C32H32N2O2	476.246378	NA	MeJP	NA	NA
+PJ002270	ALHH 	C21H32N8O5	476.2496	NA	PeJP	NA	NA
+PJ002271	ACKR 	C18H36N8O5S	476.253	NA	PeJP	NA	NA
+FL2FAANI0008	Hydroxysophoranone	C30H36O5	476.25627	90686-12-7	knapsack	NA	NA
+FL2FAANI0009	Amorilin	C30H36O5	476.25627	83474-69-5	knapsack	NA	NA
+FL4D1ANI0002	3,7,4'-Trihydroxy-8,3',5'-triprenylflavanone	C30H36O5	476.25627	90686-14-9	knapsack	NA	NA
+FLIBAANI0002	Sophoraisoflavanone C	C30H36O5	476.25627	133740-38-2	knapsack	NA	NA
+FLNAQUNI0001	Calofloride	C30H36O5	476.25627	88640-45-3	knapsack	NA	NA
+MJ070592	2-[2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)-5-benzofuranyl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070593	2-[3,4-Dihydro-3-hydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070594	3,11,23-Trioxocycloarta-1,7,16,24-tetraen-26-oic acid; 24Z-form 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070595	3,4',7-Trihydroxy-3',5',8-triprenylflavanone 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070596	4',5,7-Trihydroxy-3',5',6-triprenylflavanone 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070597	4',5,7-Trihydroxy-3',5',8-triprenylflavanone 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070598	4',5,7-Trihydroxy-3',6,8-triprenylflavanone 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070599	?-Hydroxyanthrone B 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070600	Calofloride 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070601	Mulberrofuran Z 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070602	Sophoraisoflavanone C 	C30H36O5	476.256274	NA	MeJP	NA	NA
+MJ070603	Betamethasone; 17-Pentanoyl 	C27H37FO6	476.257417	NA	MeJP	NA	NA
+MJ070604	Dexamethasone; 17-Pentanoyl 	C27H37FO6	476.257417	NA	MeJP	NA	NA
+MJ070605	Dexamethasone; 21-(2,2-Dimethylpropanoyl) 	C27H37FO6	476.257417	NA	MeJP	NA	NA
+PJ002272	SDKK 	C19H36N6O8	476.2595	NA	PeJP	NA	NA
+PJ002273	PVVY 	C24H36N4O6	476.2635	NA	PeJP	NA	NA
+PJ002274	TLLM 	C21H40N4O6S	476.2669	NA	PeJP	NA	NA
+C09420	Emetamine	C29H36N2O4	476.2675	NA	KEGG	NA	NA
+MJ070606	Emetamine 	C29H36N2O4	476.267507	NA	MeJP	NA	NA
+MJ070607	4-Chloro-3-hydroxy-23-oxoergost-24(28)-en-21-oic acid, 4,5-Didehydro 	C28H41ClO4	476.269337	NA	MeJP	NA	NA
+PJ002275	SSKR 	C18H36N8O7	476.2707	NA	PeJP	NA	NA
+MJ070608	Tokaramide A 	C23H36N6O5	476.274718	NA	MeJP	NA	NA
+C14990	Cyclic-3,20-bis(1,2-ethanediyl	C27H40O7	476.2774	NA	KEGG	NA	NA
+MJ070609	16,24-Epoxy-21,24,25-trihydroxy-17-cheilanthen-19,25-olide, 21-Ac 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070610	2,3,6,20,22,25-Hexahydroxycholesta-5,8,14-trien-7-one 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070611	3,7,12-Trihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-oic acid 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070612	8-Daucene-2,4,6,10-tetrol, 2,6-Diangeloyl, 10-Ac 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070613	8-Daucene-2,4,6,10-tetrol, 6,10-Diangeloyl, 2-Ac 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070614	Chelonaplysin A 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070615	Lucidenic acid G 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070616	Lucidenic acid H 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070617	Secopseudopterosin A; 2'-Ac 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070618	Secopseudopterosin A; 3'-Ac 	C27H40O7	476.277403	NA	MeJP	NA	NA
+MJ070619	Secopseudopterosin A; 4'-Ac 	C27H40O7	476.277403	NA	MeJP	NA	NA
+PJ002276	AKKM 	C20H40N6O5S	476.2781	NA	PeJP	NA	NA
+MJ070620	Thiobideoxynupharidine 	C30H40N2OS	476.286134	NA	MeJP	NA	NA
+FLIJ1ANR0001	4-O-alpha-Cadinylangolensin	C31H40O4	476.29265	75917-91-8	knapsack	NA	NA
+FLIJ1ANR0002	4-O-T-Cadinylangolensin	C31H40O4	476.29265	75872-84-3	knapsack	NA	NA
+MJ070621	4-O-Cadinylangolensin 	C31H40O4	476.292659	NA	MeJP	NA	NA
+PJ002277	TTKK 	C20H40N6O7	476.2959	NA	PeJP	NA	NA
+PJ002278	VVLF 	C25H40N4O5	476.2999	NA	PeJP	NA	NA
+MJ070622	9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, Phosphate 	C28H45O4P	476.305546	NA	MeJP	NA	NA
+MJ070623	12,16,22-Trihydroxy-24-methyl-25,24-scalaranolide, 22-Ac 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070624	2,3,14,20,22-Pentahydroxyergosta-7,24(28)-dien-6-one 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070625	22,23-Epoxy-2,3,14,20-tetrahydroxyergost-7-en-6-one 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070626	6,13:12,16-Diepoxy-8(19)-eunicellene-4,9,11-triol, 11-Ketone, 4-octanoyl 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070627	6,13:12,16-Diepoxy-8(19)-eunicellene-4,9,11-triol, 9-Ketone, 11-octanoyl 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070628	7,13-Labdadiene-3,15-diol, 3-Malonyl, 15-(3-methylbutanoyl) 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070629	7,13-Thyrsifloranediol, 13-(3-Methylbutanoyl), 7-malonyl 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070630	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 2-(3-methyl-2-butenoyl), 3-Ac, Me ester 	C28H44O6	476.313789	NA	MeJP	NA	NA
+MJ070631	2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone 	C32H44O3	476.329045	NA	MeJP	NA	NA
+MJ070632	Alfileramine; Me ether 	C31H44N2O2	476.340278	NA	MeJP	NA	NA
+MJ070633	2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070634	2,3,22,23-Tetrahydroxystigmast-24(28)-en-6-one 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070635	2-Eicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070636	28-Nor-12-oleanene-2,3,16,17,23-pentol 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070637	3,11,15,29-Tetrahydroxystigmast-5-en-7-one 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070638	3,5,26-Trihydroxycholestan-6-one, 26-Ac 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070639	Cholest-5-ene-1,3,11,18-tetrol, 18-Ac 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070640	Gloeophyllic acid A; Di-Me acetal 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070641	Xestokerol B; 7-Deoxy, 21,22R-dihydroxy 	C29H48O5	476.350174	NA	MeJP	NA	NA
+MJ070642	Carpaine; 1,2-Didehydro 	C28H48N2O4	476.361408	NA	MeJP	NA	NA
+MJ070643	3-(Octadecyloxy)-1,2-propanediol, 1-O-?-D-Lyxofuranoside 	C26H52O7	476.371304	NA	MeJP	NA	NA
+MJ070644	3-(Octadecyloxy)-1,2-propanediol, 1-O-?-D-Arabinopyranoside 	C26H52O7	476.371304	NA	MeJP	NA	NA
+MJ070645	11-Methylenepregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-benzoyl 	C32H48N2O	476.376664	NA	MeJP	NA	NA
+MJ070646	Buxocyclamine I; N20,N20-Di-Me, N3-benzoyl 	C32H48N2O	476.376664	NA	MeJP	NA	NA
+MJ070647	1,11,22,25-Hopanetetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070648	1,3,11-Trihydroxy-4,23-dimethyl-9,11-secoergost-22-en-9-one 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070649	16,17,19-Kauranetriol, 19-Decanoyl 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070650	2,5-Dihydroxy-3-methyl-6-tricosyl-1,4-benzoquinone 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070651	20,24-Epoxydammarane-3,11,25-triol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070652	20,24-Epoxydammarane-3,12,25-triol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070653	20,24-Epoxydammarane-3,17,25-triol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070654	20,24-Epoxydammarane-3,24,25-triol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070655	20,24-Epoxydammarane-3,25,26-triol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070656	20,24-Epoxydammarane-3,6,25-triol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070657	21-Baccharene-3,18,23,28-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070658	3,11,24-Trihydroxy-4,23-dimethyl-9,11-secoergost-22-en-9-one 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070659	3,12,16,22-Hopanetetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070660	3,14,21,24-Serratanetetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070661	3,14,21,30-Serratanetetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070662	3,6,16,22-Hopanetetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070663	4,23,24-Trimethylcholest-22-ene-1,3,6,11-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070664	4,23-Dimethylergost-22-ene-1,3,9,11-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070665	Casasequic acid 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070666	Cucurbit-5-ene-3,11,24,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070667	Cucurbit-5-ene-3,23,24,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070668	Cycloartane-3,11,16,24-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070669	Cycloartane-3,16,24,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070670	Cycloartane-3,24,25,28-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070671	Dammar-23-ene-3,12,20,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070672	Dammar-24-ene-2,3,12,20-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070673	Dammar-24-ene-3,12,17,20-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070674	Dammar-25-ene-3,12,20,24-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070675	Lanost-8-ene-2,3,24,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070676	Lanost-9(11)-ene-3,22,24,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070677	Panaxadiol; 1?-Hydroxy 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070678	Panaxadiol; 6?-Hydroxy 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070679	Salvilymitol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070680	Sipholenol A 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070681	Sipholenol C 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070682	Siphonellinol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070683	Taiwaniasterol A 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070684	Taiwaniasterol B 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070685	Taiwaniasterol C 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070686	Tirucall-7-ene-3,23,24,25-tetrol 	C30H52O4	476.38656	NA	MeJP	NA	NA
+MJ070687	6-Tricosyl-1,2,4-benzenetriol; 2,4-Di-Me ether 	C31H56O3	476.422945	NA	MeJP	NA	NA
+MJ070688	21,25-Dotriacontadienoic acid 	C32H60O2	476.459331	NA	MeJP	NA	NA
+C08070	Miconazole nitrate	C18H14Cl4N2O	476.9817	NA	KEGG	NA	NA
+C08113	Cefotaxime sodium	C16H16N5O7S2	477.0389	NA	KEGG	NA	NA
+MJ070689	CDPglycerol 	C12H21N3O13P2	477.05496	NA	MeJP	NA	NA
+MetaCyc03673	CDP-glycerol []	C12H21N3O13P2	477.054961	NA	metacyc	NA	NA
+C00513	CDP-glycerol	C12H21N3O13P2	477.055	NA	KEGG	NA	NA
+C08423	4-Methoxyglucobrassicin	C17H21N2O10S2	477.0638	NA	KEGG	NA	NA
+MJ070690	Suriclone 	C20H20ClN5O3S2	477.069608	NA	MeJP	NA	NA
+MJ070691	8-(Methylthio)octyl glucosinolate 	C16H31NO9S3	477.116093	NA	MeJP	NA	NA
+C17254	8-Methylthiooctyl glucosinolate	C16H31NO9S3	477.1161	NA	KEGG	NA	NA
+MJ070692	2-Acetyl-2-decarboxamidotetracycline; 7-Chloro 	C23H24ClNO8	477.119044	NA	MeJP	NA	NA
+FL5FADGSN001	Isorhamnetin 7-alpha-D-Glucosamine;Quercetin 3'-methyl ether 7-alpha-D-Glucosamine;7-[(2-Amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C22H23NO11	477.12711	255724-10-8	knapsack	NA	NA
+PJ002279	NDDD 	C16H23N5O12	477.1343	NA	PeJP	NA	NA
+MJ070693	Polyoxin L 	C16H23N5O12	477.134321	NA	MeJP	NA	NA
+MJ070694	Polyoxin N 	C16H23N5O12	477.134321	NA	MeJP	NA	NA
+PJ002280	GGDDD 	C16H23N5O12	477.1344	NA	PeJP	NA	NA
+FL7AAIGS0003	Malvidin 3-rhamnoside	C23H25O11	477.13968	53925-28-3	knapsack	NA	NA
+PJ002281	GSPCD 	C17H27N5O9S	477.153	NA	PeJP	NA	NA
+MJ070695	Griseoviridin 	C22H27N3O7S	477.15697	NA	MeJP	NA	NA
+MJ070696	4-[7-[[1-[(3-Chloro-2-thienyl)methyl]propyl]amino]-3H-imidazo[4,5-b]pyridin-3-yl]-N-ethyl-2,3-dihydroxycyclopentanecarboxamide 	C22H28ClN5O3S	477.160138	NA	MeJP	NA	NA
+PJ002282	CNNQ 	C16H27N7O8S	477.1642	NA	PeJP	NA	NA
+C11737	CB3717	C24H23N5O6	477.1648	NA	KEGG	NA	NA
+MJ070697	Ritanserin 	C27H25F2N3OS	477.168639	NA	MeJP	NA	NA
+PJ002283	SNEE 	C17H27N5O11	477.1707	NA	PeJP	NA	NA
+PJ002284	PCQM 	C18H31N5O6S2	477.1716	NA	PeJP	NA	NA
+MJ070698	Nictiazem 	C26H27N3O4S	477.172227	NA	MeJP	NA	NA
+MJ070699	Batimastat 	C23H31N3O4S2	477.175597	NA	MeJP	NA	NA
+MJ070700	Rocaglatic acid; Amide 	C27H27NO7	477.178752	NA	MeJP	NA	NA
+PJ002285	GSSNN 	C16H27N7O10	477.182	NA	PeJP	NA	NA
+PJ002286	PCCR 	C17H31N7O5S2	477.1828	NA	PeJP	NA	NA
+MJ070701	Pyridoxine; O1''-Me, O2''-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C20H31NO12	477.184625	NA	MeJP	NA	NA
+PJ002287	GSEW 	C21H27N5O8	477.186	NA	PeJP	NA	NA
+PJ002288	AQEM 	C18H31N5O8S	477.1894	NA	PeJP	NA	NA
+MJ070702	5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate 	C31H27NO4	477.194008	NA	MeJP	NA	NA
+7880	peptide from actin, pork muscles	DSGVT	477.1949	antibacterial	Inhouse_peptide	NA	peptide
+29	Myofibrillar	DSGVT	477.196	celiac toxic	Inhouse_peptide	NA	peptide
+MJ070703	Ipanguline D3; 7-O-(2-Hydroxybenzoyl), 2'',3''-di-Ac 	C24H31NO9	477.199881	NA	MeJP	NA	NA
+PJ002289	GDMR 	C17H31N7O7S	477.2006	NA	PeJP	NA	NA
+PJ002290	SWW 	C25H27N5O5	477.2012	NA	PeJP	NA	NA
+MJ070704	Monodontamide F 	C25H27N5O5	477.201218	NA	MeJP	NA	NA
+MJ070705	Naamidine A; 14-Methoxy, O11-Me 	C25H27N5O5	477.201218	NA	MeJP	NA	NA
+MJ070706	Antibiotic I5B; Antibiotic I5B1 	C23H32N3O6P	477.202872	NA	MeJP	NA	NA
+PJ002291	AAMW 	C22H31N5O5S	477.2046	NA	PeJP	NA	NA
+PJ002292	SDKE 	C18H31N5O10	477.2071	NA	PeJP	NA	NA
+PJ002293	PCKM 	C19H35N5O5S2	477.208	NA	PeJP	NA	NA
+PJ002294	GQHH 	C19H27N9O6	477.2085	NA	PeJP	NA	NA
+MJ070707	?-Lumicolchicine; N-De-Ac, N-Me, N-(2-hydroxybenzyl) 	C28H31NO6	477.215137	NA	MeJP	NA	NA
+MJ070708	Antibiotic SNF 4435 	C28H31NO6	477.215137	NA	MeJP	NA	NA
+MJ070709	Neoaureothin 	C28H31NO6	477.215137	NA	MeJP	NA	NA
+MJ070710	Speciosine 	C28H31NO6	477.215137	NA	MeJP	NA	NA
+PJ002295	SSER 	C17H31N7O9	477.2183	NA	PeJP	NA	NA
+PJ002296	ATTW 	C22H31N5O7	477.2224	NA	PeJP	NA	NA
+PJ002297	AKEM 	C19H35N5O7S	477.2257	NA	PeJP	NA	NA
+PJ002298	PPQH 	C21H31N7O6	477.2336	NA	PeJP	NA	NA
+MJ070711	Barbeline 	C25H35NO8	477.236267	NA	MeJP	NA	NA
+MJ070712	Lupinine, O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] 	C25H35NO8	477.236267	NA	MeJP	NA	NA
+MJ070713	Siwanine A; O16-De-Me, N-De-Et, N-Me 	C25H35NO8	477.236267	NA	MeJP	NA	NA
+PJ002299	ATMR 	C18H35N7O6S	477.237	NA	PeJP	NA	NA
+MJ070714	Monodontamide D; Deformyl 	C26H31N5O4	477.237604	NA	MeJP	NA	NA
+PJ002300	TTKE 	C19H35N5O9	477.2435	NA	PeJP	NA	NA
+PJ002301	GKHH 	C20H31N9O5	477.2448	NA	PeJP	NA	NA
+MJ070715	Almitrine 	C26H29F2N7	477.24525	NA	MeJP	NA	NA
+2632	synthetic fr, of human beta-CN (45-52) ACE inhibitor	QPQPLIYP	477.2515	MH2+	Inhouse_peptide	NA	peptide
+MJ070716	7-[5-([1,1'-Biphenyl]-4-ylmethoxy)-2-(4-morpholinyl)-3-oxocyclopentyl]-4-heptenoic acid 	C29H35NO5	477.251523	NA	MeJP	NA	NA
+MJ070717	Hitachimycin 	C29H35NO5	477.251523	NA	MeJP	NA	NA
+MJ070718	Paxilline; 1'-O-Ac 	C29H35NO5	477.251523	NA	MeJP	NA	NA
+PJ002302	TTTR 	C18H35N7O8	477.2547	NA	PeJP	NA	NA
+MJ070719	Epothilone C 	C26H39NO5S	477.254894	NA	MeJP	NA	NA
+C15694	Epothilone C	C26H39NO5S	477.2549	NA	KEGG	NA	NA
+PJ002303	APKY 	C23H35N5O6	477.2588	NA	PeJP	NA	NA
+PJ002304	SLKM 	C20H39N5O6S	477.2621	NA	PeJP	NA	NA
+MJ070720	Paraherquamide A; 14-Deoxy 	C28H35N3O4	477.262756	NA	MeJP	NA	NA
+MJ070721	Paraherquamide G 	C28H35N3O4	477.262756	NA	MeJP	NA	NA
+PJ002305	GVFR 	C22H35N7O5	477.27	NA	PeJP	NA	NA
+MJ070722	Bicolorine; O1,O8-Di-Ac 	C26H39NO7	477.272652	NA	MeJP	NA	NA
+MJ070723	Delcorine; 6-Ketone 	C26H39NO7	477.272652	NA	MeJP	NA	NA
+MJ070724	Norerythrophlamine; O3-Ac 	C26H39NO7	477.272652	NA	MeJP	NA	NA
+MJ070725	Antibiotic I-SKB1 	C20H39N5O8	477.279863	NA	MeJP	NA	NA
+PJ002306	FRR 	C21H35N9O4	477.2812	NA	PeJP	NA	NA
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR572	LysoPE(18:2)	[M-H]-	477.285525	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR572	LysoPE(18:2)	[M-H]-	477.285525	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR572	LysoPE(18:2)	[M-H]-	477.285525	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR572	LysoPE(18:2)	NA	477.285525	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR572	LysoPE(18:2)	[M-H]-	477.285525	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR572	LysoPE(18:2)	NA	477.285525	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR844	Lyso PE 18:2 monoisotopic mass 	C23H44NO7P	477.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR844	Lyso PE 18:2 monoisotopic mass 	C23H44NO7P	477.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR844	Lyso PE 18:2 monoisotopic mass 	C23H44NO7P	477.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR844	Lyso PE 18:2 monoisotopic mass 	C23H44NO7P	477.285542	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11477	LysoPE(0:0/18:2(9Z,12Z))	C23H44NO7P	477.285553	NA	HMDB2010	NA	NA
+HMDB11507	LysoPE(18:2(9Z,12Z)/0:0)	C23H44NO7P	477.285553	NA	HMDB2010	NA	NA
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR571	LysoPE(18:2)	[M-H]+	477.285575	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR571	LysoPE(18:2)	[M-H]+	477.285575	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR571	LysoPE(18:2)	[M-H]+	477.285575	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR571	LysoPE(18:2)	NA	477.285575	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR571	LysoPE(18:2)	[M-H]+	477.285575	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR571	LysoPE(18:2)	NA	477.285575	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ070726	Antibiotic L 697318 	C30H39NO4	477.287908	NA	MeJP	NA	NA
+MJ070727	Vapiprost 	C30H39NO4	477.287908	NA	MeJP	NA	NA
+MJ070728	Zygosporin D; 17-Deoxo, 18-deoxy, 21-Ac 	C30H39NO4	477.287908	NA	MeJP	NA	NA
+PJ002307	ALKF 	C24H39N5O5	477.2951	NA	PeJP	NA	NA
+MJ070729	Pumafentrine 	C29H39N3O3	477.299142	NA	MeJP	NA	NA
+MJ070730	3,7,14,16,20-Pentahydroxy-6-cevanone 	C27H43NO6	477.309038	NA	MeJP	NA	NA
+MJ070731	Antibiotic PF 1163A 	C27H43NO6	477.309038	NA	MeJP	NA	NA
+MJ070732	Bicolorine; O1,O8,O14-Tri-Me, O6-Ac 	C27H43NO6	477.309038	NA	MeJP	NA	NA
+MJ070733	Labiatamide A; 3-Deacetoxy 	C27H43NO6	477.309038	NA	MeJP	NA	NA
+C07656	Gentamicin C1	C21H43N5O7	477.3162	NA	KEGG	NA	NA
+MJ070734	Antibiotic XK 62-6 	C21H43N5O7	477.316248	NA	MeJP	NA	NA
+MJ070735	Gentamicin C; Gentamicin C1a, 1-N-Et 	C21H43N5O7	477.316248	NA	MeJP	NA	NA
+MetaCyc03674	gentamicin []	C21H43N5O7	477.316249	1403-66-3	metacyc	NA	NA
+MJ070736	3,14-Dihydroxypregnan-20-one, 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C28H47NO5	477.345423	NA	MeJP	NA	NA
+3985	NA	GMNRRPIL	477.76315	MH2+	Inhouse_peptide	NA	peptide
+3667	NA	KKFHLRK	477.7965	MH2+	Inhouse_peptide	NA	peptide
+FL5FACNSS011	Quercetin 7,4'-disulfate	C15H10O12S3	477.93343	-	knapsack	NA	NA
+MJ070737	Cefcanel 	C19H18N4O5S3	478.043931	NA	MeJP	NA	NA
+C10226	Fucofuroeckol B	C24H14O11	478.0536	NA	KEGG	NA	NA
+MJ070738	Fucofuroeckol A 	C24H14O11	478.053611	NA	MeJP	NA	NA
+MJ070739	Fucofuroeckol B 	C24H14O11	478.053611	NA	MeJP	NA	NA
+MJ070740	Fucofuroeckol C 	C24H14O11	478.053611	NA	MeJP	NA	NA
+MJ070741	3-Indolylmethyl glucosinolate; N-Methoxy 	C17H22N2O10S2	478.071586	NA	MeJP	NA	NA
+MJ070742	4-Hydroxyindol-3-ylmethyl glucosinolate; Me ether 	C17H22N2O10S2	478.071586	NA	MeJP	NA	NA
+MetaCyc03675	4-methoxy-3-indolylmethyl-glucosinolate [4-methoxyindol-3-ylmethylglucosinolate;4-methyoxyglucobrassicin;]	C17H22N2O10S2	478.071586	NA	metacyc	NA	NA
+MetaCyc03676	1-methoxy-3-indolylmethyl-glucosinolate [neoglucobrassicin;]	C17H22N2O10S2	478.071586	NA	metacyc	NA	NA
+C08424	Neoglucobrassicin	C17H22N2O10S2	478.0716	NA	KEGG	NA	NA
+MJ070743	3,15-Dibromo-9(11)-isopimarene-7,16-diol, 12?-Hydroxy 	C20H32Br2O3	478.07182	NA	MeJP	NA	NA
+MJ070744	2',4',5,5',7-Pentahydroxyflavone; 4'-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070745	3',4',5,6,7-Pentahydroxyflavone; 6-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070746	3',4',5,6,7-Pentahydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070747	3',4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070748	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Galacturonopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070749	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070750	3,3',4',5,7-Pentahydroxyflavone; 4'-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070751	3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070752	3,4',5,7,8-Pentahydroxyflavone; 7-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070753	3,4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucuronopyranoside 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070754	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3,5-Bis-O-(3,4,5-trihydroxybenzoyl) 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070755	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 4,5-Bis-O-(3,4,5-trihydroxybenzoyl) 	C21H18O13	478.07474	NA	MeJP	NA	NA
+MJ070756	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 5-O-[3,4,5-Trihydroxybenzoyl-(??)-3,4,5-trihydroxybenzoyl] 	C21H18O13	478.07474	NA	MeJP	NA	NA
+FL3FALGS0007	Isoetin 4'-glucuronide;4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,5-dihydroxyphenyl beta-D-glucopyranosiduronic acid	C21H18O13	478.07474	163891-92-7	knapsack	NA	NA
+FL3FECGS0006	6-Hydroxyluteolin 6-glucuronide	C21H18O13	478.07474	60092-27-5	knapsack	NA	NA
+FL3FECGS0013	6-Hydroxyluteolin 7-glucuronide	C21H18O13	478.07474	56226-97-2	knapsack	NA	NA
+FL3FFCGS0004	8-Hydroxyluteolin 8-glucuronide	C21H18O13	478.07474	56324-52-8	knapsack	NA	NA
+FL5FACGS0007	Quercetin 3-galacturonide	C21H18O13	478.07474	74336-89-3	knapsack	NA	NA
+FL5FACGS0008	Miquelianin	C21H18O13	478.07474	22688-79-5	knapsack	NA	NA
+FL5FACGS0016	Quercetin 7-glucuronide	C21H18O13	478.07474	38934-20-2	knapsack	NA	NA
+FL5FACGS0062	Quercetin 5-glucuronide;2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-1-benzopyran-5-yl beta-D-glucopyranosiduronic acid	C21H18O13	478.07474	367522-85-8	knapsack	NA	NA
+FL5FACGS0064	Quercetin 4'-glucuronide;2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid	C21H18O13	478.07474	201463-36-7	knapsack	NA	NA
+FL5FFAGS0008	Herbacetin 8-glucuronide	C21H18O13	478.07474	66003-48-3	knapsack	NA	NA
+MJ070757	Pradimicin M; 11-Me ether 	C25H18O10	478.089996	NA	MeJP	NA	NA
+MJ070758	Vanyldisulfamide 	C20H22N4O6S2	478.098075	NA	MeJP	NA	NA
+FL3FAHGS0001	Tricetin 3'-methyl ether 7-glucoside	C22H22O12	478.11112	73413-70-4	knapsack	NA	NA
+FL3FECGS0023	6-Methoxyluteolin 7-glucoside	C22H22O12	478.11112	569-90-4	knapsack	NA	NA
+FL3FECGS0024	6-Hydroxyluteolin 7-methyl ether 6-glucoside	C22H22O12	478.11112	22860-72-6	knapsack	NA	NA
+FL3FECGS0025	6-Hydroxyluteolin 7-methyl ether 6-galactoside	C22H22O12	478.11112	76449-91-7	knapsack	NA	NA
+FL3FECGS0048	Nepetin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one	C22H22O12	478.11112	112208-83-0	knapsack	NA	NA
+FL3FFCGS0011	8-Hydroxyluteolin 3'-methyl ether 7-glucoside	C22H22O12	478.11112	71149-63-8	knapsack	NA	NA
+FL3FFCGS0015	8-Hydroxyluteolin 4'-methyl ether 8-glucoside	C22H22O12	478.11112	80756-87-2	knapsack	NA	NA
+FL4DABGS0002	Dihydrokaempferide 3-glucuronide	C22H22O12	478.11112	71140-96-0	knapsack	NA	NA
+FL5FADGA0001	Isorhamnetin 3-galactoside	C22H22O12	478.11112	6743-92-6	knapsack	NA	NA
+FL5FADGL0001	Isorhamnetin 3-glucoside	C22H22O12	478.11112	5041-82-7	knapsack	NA	NA
+FL5FADGS0006	Isorhamnetin 5-galactoside;5-(beta-D-Galactopyranosyloxy)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O12	478.11112	155312-51-9	knapsack	NA	NA
+FL5FADGS0007	Isorhamnetin 5-glucoside	C22H22O12	478.11112	34199-20-7	knapsack	NA	NA
+FL5FADGS0008	Isorhamnetin 7-glucoside	C22H22O12	478.11112	6743-96-0	knapsack	NA	NA
+FL5FADGS0010	Isorhamnetin 4'-glucoside	C22H22O12	478.11112	58902-89-9	knapsack	NA	NA
+FL5FAEGA0001	Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O12	478.11112	52305-25-6	knapsack	NA	NA
+FL5FAEGL0001	Tamarixin	C22H22O12	478.11112	27542-29-8	knapsack	NA	NA
+FL5FAEGS0002	Tamarixetin 7-glucoside	C22H22O12	478.11112	16290-09-8	knapsack	NA	NA
+FL5FAHGS0001	Laricitrin 3-rhamnoside	C22H22O12	478.11112	71367-37-8	knapsack	NA	NA
+FL5FAIGS0001	Syringetin 3-xyloside	C22H22O12	478.11112	128487-45-6	knapsack	NA	NA
+FL5FAJGS0001	Mearnsitrin	C22H22O12	478.11112	30484-88-9	knapsack	NA	NA
+FL5FBCGA0001	Azaleatin 3-galactoside	C22H22O12	478.11112	27193-60-8	knapsack	NA	NA
+FL5FBCGL0001	Azaleatin 3-glucoside	C22H22O12	478.11112	23598-17-6	knapsack	NA	NA
+FL5FBGGS0001	Myricetin 5-methyl ether 3-rhamnoside	C22H22O12	478.11112	29028-03-3	knapsack	NA	NA
+FL5FCCCS0001	Keyakinin B	C22H22O12	478.11112	-	knapsack	NA	NA
+FL5FCCGA0001	Rhamnetin 3-galactoside	C22H22O12	478.11112	38975-81-4	knapsack	NA	NA
+FL5FCCGL0001	Rhamnetin 3-glucoside	C22H22O12	478.11112	27875-34-9	knapsack	NA	NA
+FL5FCCGS0004	Rhamnetin 5-glucoside	C22H22O12	478.11112	93078-95-6	knapsack	NA	NA
+FL5FCGCS0001	8-C-Rhamnosyleuropetin;8-(6-Deoxy-alpha-L-mannopyranosyl)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C22H22O12	478.11112	78527-45-4	knapsack	NA	NA
+FL5FCGGS0001	Europetin 3-rhamnoside	C22H22O12	478.11112	130364-27-1	knapsack	NA	NA
+FL5FDCGS0001	Quercetin 3-methyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one	C22H22O12	478.11112	53987-23-8	knapsack	NA	NA
+FL5FDCGS0002	Quercetin 3-methyl ether 7-galactoside	C22H22O12	478.11112	98751-51-0	knapsack	NA	NA
+FL5FDCGS0003	Quercetin 3-methyl ether 7-glucoside	C22H22O12	478.11112	26931-68-0	knapsack	NA	NA
+FL5FDCGS0007	Quercetin 3-methyl ether 3'-glucoside	C22H22O12	478.11112	115473-28-4	knapsack	NA	NA
+FL5FDCGS0008	Quercetin 3-methyl ether 4'-glucoside	C22H22O12	478.11112	22255-19-2	knapsack	NA	NA
+FL5FDGGS0001	Annulatin 7-rhamnoside	C22H22O12	478.11112	93373-17-2	knapsack	NA	NA
+FL5FDJGS0001	Myricetin 3,4'-dimethyl ether 3'-xyloside	C22H22O12	478.11112	102506-58-1	knapsack	NA	NA
+FL5FEAGA0001	6-Methoxykaempferol 3-galactoside	C22H22O12	478.11112	72945-43-8	knapsack	NA	NA
+FL5FEAGL0005	6-Methoxykaempferol 3-glucoside	C22H22O12	478.11112	63422-27-5	knapsack	NA	NA
+FL5FEAGS0003	6-Hydroxykaempferol 3-methyl ether 6-glucoside	C22H22O12	478.11112	76060-28-1	knapsack	NA	NA
+FL5FEAGS0004	6-Hydroxykaempferol 3-methyl ether 7-glucoside	C22H22O12	478.11112	76060-26-9	knapsack	NA	NA
+FL5FEAGS0008	6-Methoxykaempferol 7-glucoside	C22H22O12	478.11112	70056-56-3	knapsack	NA	NA
+FL5FEAGS0023	6-Hydroxykaempferol 4'-methyl ether 7-glucoside;3,5,6-Trihydroxy-4'-methoxyflavone-7-beta-D-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5,6-trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C22H22O12	478.11112	349607-67-6	knapsack	NA	NA
+FL5FECGS0006	Patuletin 3-rhamnoside	C22H22O12	478.11112	60048-92-2	knapsack	NA	NA
+FL5FECGS0020	Eupatolitin 3-apioside	C22H22O12	478.11112	106923-74-4	knapsack	NA	NA
+FL5FFAGA0001	Sexangularetin 3-galactoside	C22H22O12	478.11112	94035-83-3	knapsack	NA	NA
+FL5FFAGL0004	Sexangularetin 3-glucoside	C22H22O12	478.11112	51857-20-6	knapsack	NA	NA
+FL5FFAGS0017	Herbacetin 7-methyl ether 3-glucoside	C22H22O12	478.11112	30484-94-7	knapsack	NA	NA
+FL5FFCGS0010	Ranupenin 3-rhamnoside	C22H22O12	478.11112	56768-33-3	knapsack	NA	NA
+FLNAALGS0001	5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside	C22H22O12	478.11112	120931-58-0	knapsack	NA	NA
+MJ070759	1,2,3,4,5-Pentahydroxy-7-methylanthraquinone; 2-Me ether, 5-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070760	1,2,4,5,6-Pentahydroxy-3-methylanthraquinone; 1-Me ether, 2-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070761	1,3,4,5,7-Pentahydroxy-2-methylanthraquinone; 7-Me ether, 3-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070762	1,3,5,6,8-Pentahydroxy-2-methylanthraquinone; 6-Me ether, 8-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070763	2-Cinnamoyl-1-galloylglucose; ?-D-Pyranose-form, 4''-Hydroxy 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070764	3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070765	3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070766	3',4',5,6,7,8-Hexahydroxyflavone; 3'-Me ether, 8-O-?-L-rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070767	3',4',5,6-Tetrahydroxy-7-methoxyflavone; 6-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070768	3',4',5,6-Tetrahydroxy-7-methoxyflavone; 6-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070769	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 3'-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070770	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070771	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070772	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070773	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070774	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 3'-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070775	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070776	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070777	3',5,5',7-Tetrahydroxy-3,4'-dimethoxyflavone; 3'-O-?-D-Xyloside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070778	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070779	3,3',4',5',7-Pentahydroxy-5-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070780	3,3',4',5,5',7-Hexahydroxy-8-rhamnopyranosylflavone; 7-Me ether 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070781	3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3-O-?-L-rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070782	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070783	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070784	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070785	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-Apioside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070786	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3'-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070787	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070788	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070789	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070790	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070791	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070792	3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070793	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070794	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070795	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070796	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070797	3,4',5,6,7-Pentahydroxyflavone; 3-Me ether, 6-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070798	3,4',5,6,7-Pentahydroxyflavone; 3-Me ether, 7-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070799	3,4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070800	3,4',5,7,8-Pentahydroxyflavone; 3-Me ether, 8-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070801	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070802	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-D-Xylopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070803	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-Arabinoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070804	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactofuranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070805	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070806	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070807	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070808	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 5-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070809	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070810	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070811	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070812	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070813	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070814	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070815	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070816	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070817	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070818	4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070819	5,7-Dihydroxy-4-(2,4,5-trihydroxyphenyl)-2H-1-benzopyran-2-one; 7-Me ether, 5-O-?-D-glucopyranoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070820	6-Galloylglucose; ?-D-Pyranose-form, 1-(4-Hydroxycinnamoyl)(E-) 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070821	6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavone; 7-Me ether 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070822	Bergenin; 11-O-(4-Hydroxy-3-methoxybenzoyl) 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070823	Taliflavonoloside aglycone; O-Rhamnoside 	C22H22O12	478.111126	NA	MeJP	NA	NA
+MJ070824	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 5-Me ether, 3-O-?-D-glucopyranoside 	C22H23O12(+)	478.111126	NA	MeJP	NA	NA
+MJ070825	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-D-Galactopyranoside 	C22H23O12(+)	478.111126	NA	MeJP	NA	NA
+MJ070826	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C22H23O12(+)	478.111126	NA	MeJP	NA	NA
+MJ070827	Tuberidin; 3-O-Glucoside 	C22H23O12(+)	478.111126	NA	MeJP	NA	NA
+MetaCyc03677	isoscoparine [isocoparin;C-glucosyl-6-chrysoeriol;]	C22H22O12	478.111126	20013-23-4	metacyc	NA	NA
+MJ070828	Chlortetracycline 	C22H23ClN2O8	478.114293	NA	MeJP	NA	NA
+MJ070829	Aureomycin 	C22H23ClN2O8	478.114293	NA	MeJP	NA	NA
+MJ070830	Isoaureomycin 	C22H23ClN2O8	478.114293	NA	MeJP	NA	NA
+C06571	Chlortetracycline	C22H23ClN2O8	478.1143	NA	KEGG	NA	NA
+C08029	Methacycline hydrochloride	C22H22N2O8	478.1143	NA	KEGG	NA	NA
+C08030	Transferred to D00850	C22H22N2O8	478.1143	NA	KEGG	NA	NA
+PJ002308	DDDD 	C16H22N4O13	478.1184	NA	PeJP	NA	NA
+MJ070831	Xanthocercin B 	C26H22O9	478.126382	NA	MeJP	NA	NA
+MJ070832	Lappaphen a 	C27H26O4S2	478.12725	NA	MeJP	NA	NA
+MJ070833	Napyradiomycin B1; 4a-Dechloro, 4,4a-didehydro 	C25H28Cl2O5	478.131379	NA	MeJP	NA	NA
+MJ070834	Napyradiomycin C1 	C25H28Cl2O5	478.131379	NA	MeJP	NA	NA
+MJ070835	Decursidinol, 3'-O-Angeloyl, 4'-O-(3-chloro-2-hydroxy-2-methylbutanoyl) 	C24H27ClO8	478.139445	NA	MeJP	NA	NA
+MJ070836	Pazinaclone 	C25H23ClN4O4	478.140782	NA	MeJP	NA	NA
+MJ070837	2,2',3,3',7,7'-Hexahydroxy-1,1'-biphenanthrene; 3,3'-Di-Me ether 	C30H22O6	478.141638	NA	MeJP	NA	NA
+MJ070838	Ararobinol 	C30H22O6	478.141638	NA	MeJP	NA	NA
+MJ070839	Blestriarene C 	C30H22O6	478.141638	NA	MeJP	NA	NA
+MJ070840	Guayin 	C30H22O6	478.141638	NA	MeJP	NA	NA
+FL1C3CGS0019	Okanin 3,4-dimethyl ehter 4'-glucoside	C23H26O11	478.14751	94285-17-3	knapsack	NA	NA
+FL1C3CGS0026	2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside	C23H26O11	478.14751	207906-26-1	knapsack	NA	NA
+FL1DAAGS0004	Phloretin 2'-O-(6''-O-acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside)	C23H26O11	478.14751	307991-34-0	knapsack	NA	NA
+FL1DAAGS0005	Phloretin 2'-O-(2''-O-Acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(2''-O-Acetylglucoside)	C23H26O11	478.14751	647853-82-5	knapsack	NA	NA
+FL2FAFGS0001	Eriodictyol 3',4'-dimethyl ether 5-O-glucoside	C23H26O11	478.14751	70863-87-5	knapsack	NA	NA
+FL2FBCGM0001	7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone 7-O-glucoside	C23H26O11	478.14751	85687-89-4	knapsack	NA	NA
+FL2FBEGS0001	Eriodictyol 5,4'-dimethyl ether 7-O-glucoside	C23H26O11	478.14751	81757-67-7	knapsack	NA	NA
+FL2FCEGS0001	Persiconin	C23H26O11	478.14751	28978-03-2	knapsack	NA	NA
+FL2FCEGS0002	5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside;Persicogenin 3'-glucoside	C23H26O11	478.14751	164863-05-2	knapsack	NA	NA
+FL4DCBGS0002	Aromadendrin 7,4'-dimethyl ether  5-glucoside	C23H26O11	478.14751	41515-77-9	knapsack	NA	NA
+MJ070841	1,2,4-Benzenetriol; 2-Me ether, 4-O-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070842	1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 2-O-?-D-Glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070843	2',3,3',4,4'-Pentahydroxychalcone, 3,3'-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070844	2',3,3',4,4'-Pentahydroxychalcone, 3,4-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070845	2',5,5',7-Tetrahydroxy-6,8-dimethylflavanone, 7-O-?-D-Glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070846	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 13,14-di-Ac 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070847	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?2)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070848	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?3)-?-D-allopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070849	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?3)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070850	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070851	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070852	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3,4-Dihydroxycinnamoyl-(?4)-?-D-allopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070853	2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070854	2-Methoxy-4-(2-propenyl)phenol; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070855	3',4',5,7-Tetrahydroxy-6,8-dimethylflavanone, O-Glucoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070856	3',4',5,7-Tetrahydroxy-6-methylflavanone, 5-Me ether, 7-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070857	3',4',5,7-Tetrahydroxyflavanone, 3',4'-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070858	3',4',5,7-Tetrahydroxyflavanone, 4',5-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070859	3',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 3'-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070860	3',4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070861	3,4',5,7-Tetrahydroxyflavanone, 4',7-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070862	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070863	4,5-Epoxy-8,9,15-trihydroxy-1(10),2,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Epoxy-2-methylbutanoyl), 15-Ac, Me ester 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070864	4,5-Epoxy-8,9-dihydroxy-1(10),2,11(13)-germacratrien-12,6-olid-14-oic acid, 2?,3?-Epoxide, 8-(2R,3R-epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070865	4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070866	4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070867	4-Hydroxy-4-(2-hydroxyethyl)-2,5-cyclohexadien-1-one; 2'-O-[6-O-(3,4-Dihydroxycinnamoyl)-?-D-glucopyranoside](E-) 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070868	Aloesaponol I, 6-O-?-D-Glucoside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070869	Aviprin, 2'-Ester with quinic acid 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070870	Curcapicycloside 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070871	Dehydrobruceolide; 15-Ac 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070872	Macrophylloside C 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070873	Pilosidin 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070874	Sweroside; 2'-O-(3-Hydroxybenzoyl) 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070875	Sweroside; 3'-O-(3-Hydroxybenzoyl) 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070876	Sweroside; 4'-O-(3-Hydroxybenzoyl) 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MJ070877	Sweroside; 6'-O-(3-Hydroxybenzoyl) 	C23H26O11	478.147511	NA	MeJP	NA	NA
+MetaCyc03678	homoferreirin-7-O-glucoside []	C23H26O11	478.147512	NA	metacyc	NA	NA
+MJ070878	Buzepide; Methiodide 	C23H31IN2O	478.148107	NA	MeJP	NA	NA
+PJ002309	CNNE 	C16H26N6O9S	478.1482	NA	PeJP	NA	NA
+MJ070879	Streptonigrone 	C24H22N4O7	478.148849	NA	MeJP	NA	NA
+PJ002310	SDEE 	C17H26N4O12	478.1547	NA	PeJP	NA	NA
+PJ002311	PCEM 	C18H30N4O7S2	478.1556	NA	PeJP	NA	NA
+MJ070880	Rocaglatic acid 	C27H26O8	478.162767	NA	MeJP	NA	NA
+PJ002312	GCNW 	C20H26N6O6S	478.1635	NA	PeJP	NA	NA
+PJ002313	GSSND 	C16H26N6O11	478.166	NA	PeJP	NA	NA
+MJ070881	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070882	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070883	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070884	1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether, 2-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070885	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070886	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070887	2-Methyl-6-oxo-2,4-heptadienoic acid, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070888	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-?-D-xylopyranoside 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070889	Decaloside; 7?,8?-Epoxide, 11-O-(4-deoxyriboside) 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070890	Lamiide; 7-Propanoyl 	C20H30O13	478.168641	NA	MeJP	NA	NA
+MJ070891	Unedoside; 6-O-?-L-Rhamnopyranoside 	C20H30O13	478.168641	NA	MeJP	NA	NA
+PJ002314	AEEM 	C18H30N4O9S	478.1734	NA	PeJP	NA	NA
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	HMDB	NA	NA
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	Inhouse_PFEM	NA	NA
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC017	Paracetamol glucuronide dimere	NA	478.1748	RT4.1	PFEM_hmdb_metabocards_official	NA	NA
+MJ070892	Anziaic acid; 3-Chloro, 4-Me ether 	C25H31ClO7	478.175831	NA	MeJP	NA	NA
+MJ070893	Anziaic acid; 5-Chloro, 2'-Me ether 	C25H31ClO7	478.175831	NA	MeJP	NA	NA
+MJ070894	Tabebuin 	C31H26O5	478.178023	NA	MeJP	NA	NA
+FL1DDAGS0001	Bidenoside B;4-Hydroxy-2',4',6'-trimethoxydihydrochalcone 4-O-glucoside	C24H30O10	478.18389	698392-66-4	knapsack	NA	NA
+FL6FCFGS0001	Dichotosinin	C24H30O10	478.18389	89294-56-4	knapsack	NA	NA
+MJ070895	1,10-Epoxy-5,6,9-trihydroxy-2-oxo-4(15),11(13)-germacradien-12,8-olide, 5-(2R-Methylbutanoyl), 6,9-di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070896	1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-?-D-Xylopyranoside 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070897	15,16-Epoxy-4,6,18,19-tetrahydroxy-7-oxo-13(16),14-clerodadien-20,12-olide, 18,19-Di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070898	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 2,3,4,6-tetra-Me ether, 7-O-?-D-glucopyranoside 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070899	2,3,4,6,7-Phenanthrenepentol; 9,10-Dihydro, 3,4,6,7-tetra-Me ether, 2-O-?-D-glucopyranoside 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070900	2,3-Epoxy-8,9,11,16-tetrahydroxy-12-oxo-5,13-briaradien-18,7-olide; 9,11-Di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070901	2,4,8,13,14-Pentahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-Angeloyl, 2,13-di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070902	2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-(2-methylpropenoyl), Me ester 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070903	3',4',5,7-Tetrahydroxyflavan, 3',4',7-Tri-Me ether, 5-O-?-D-glucopyranoside 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070904	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione; 3?-enol-form, 17-Acetoxy, 16-hydroxy, 3-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070905	3,11,12,14-Tetrahydroxy-8,11,13-abietatriene-6,7-dione, 17-Acetoxy, 16-hydroxy, 3-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070906	4,18:15,16-Diepoxy-6,8,10,19-tetrahydroxy-13(16),14-clerodadien-20,12-olide, 6,19-Di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070907	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(3-Methyl-2-butenoyl), 10,13-di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070908	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-Angeloyl, 10,13-di-Ac 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070909	Ajugol; 8-O-E-Cinnamoyl 	C24H30O10	478.183897	NA	MeJP	NA	NA
+MJ070910	Mallotojaponin; 2'',3''-Dihydro, 2'',3''-dihydroxy 	C24H30O10	478.183897	NA	MeJP	NA	NA
+PJ002315	SNQM 	C17H30N6O8S	478.1846	NA	PeJP	NA	NA
+MJ070911	4-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-2-(1H-1,2,4-triazol-1-ylmethyl)-3-quinolinecarboxylic acid; Et ester 	C25H26N4O6	478.185234	NA	MeJP	NA	NA
+PJ002316	PPCY 	C22H30N4O6S	478.1886	NA	PeJP	NA	NA
+PJ002317	TTEE 	C18H30N4O11	478.1911	NA	PeJP	NA	NA
+MJ070912	Almurtide 	C18H30N4O11	478.191107	NA	MeJP	NA	NA
+MJ070913	Methionylglycylmethionylisoleucineyl 	C19H34N4O6S2	478.191976	NA	MeJP	NA	NA
+PJ002318	PTMM 	C19H34N4O6S2	478.192	NA	PeJP	NA	NA
+MJ070914	Clobetasol; 11-Ketone; 17-butanoyl 	C26H32ClFO5	478.19223	NA	MeJP	NA	NA
+PJ002319	GEHH 	C19H26N8O7	478.1925	NA	PeJP	NA	NA
+7911	synthetic peptide	WHH	478.195	antioxidative	Inhouse_peptide	NA	peptide
+7913	synthetic peptide	HWH	478.195	antioxidative	Inhouse_peptide	NA	peptide
+7916	synthetic peptide	HHW	478.195	antioxidative	Inhouse_peptide	NA	peptide
+MJ070915	Antimycin A; Antibiotic I-2743C 	C23H30N2O9	478.19513	NA	MeJP	NA	NA
+MJ070916	Antimycin A; Antimycin A6 	C23H30N2O9	478.19513	NA	MeJP	NA	NA
+MJ070917	Dehexylantimycin; Dehexylantimycin A0 	C23H30N2O9	478.19513	NA	MeJP	NA	NA
+PJ002320	SCNR 	C16H30N8O7S	478.1958	NA	PeJP	NA	NA
+MJ070918	Garcinisidone E 	C28H30O7	478.199153	NA	MeJP	NA	NA
+MJ070919	Gibbestatin B; 2-Hydroxyphenyl ester 	C28H30O7	478.199153	NA	MeJP	NA	NA
+MJ070920	Fluprednisolone; 21-(3-Carboxypropanoyl) 	C25H31FO8	478.200296	NA	MeJP	NA	NA
+C08184	Triamcinolone diacetate	C25H31FO8	478.2003	NA	KEGG	NA	NA
+C11177	Rhodamine 6G	C28H31N2O3	478.2023	NA	KEGG	NA	NA
+PJ002321	GSSTQ 	C17H30N6O10	478.2024	NA	PeJP	NA	NA
+MJ070921	3,6,8-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-(3-methylthio-2Z-propenoyl), 6-angeloyl 	C25H34O7S	478.202524	NA	MeJP	NA	NA
+MJ070922	Fasciculatin; O-Sulfate 	C25H34O7S	478.202524	NA	MeJP	NA	NA
+MJ070923	Palinurin; O-Sulfate 	C25H34O7S	478.202524	NA	MeJP	NA	NA
+MJ070924	Variabilin, 18-Sulfate 	C25H34O7S	478.202524	NA	MeJP	NA	NA
+C17429	Kanokoside B	C21H34O12	478.205	NA	KEGG	NA	NA
+MJ070925	Deacylsuspensolide; 1-O-(2-Methylbutanoyl) 	C21H34O12	478.205026	NA	MeJP	NA	NA
+MJ070926	Deacylsuspensolide; 1-O-(3-Methylbutanoyl) 	C21H34O12	478.205026	NA	MeJP	NA	NA
+PJ002322	APEY 	C22H30N4O8	478.2064	NA	PeJP	NA	NA
+PJ002323	HHW 	C23H26N8O4	478.2077	NA	PeJP	NA	NA
+PJ002324	SLEM 	C19H34N4O8S	478.2098	NA	PeJP	NA	NA
+PJ002325	GQQF 	C21H30N6O7	478.2176	NA	PeJP	NA	NA
+HMDB06765	2-Methoxy-estradiol-17b 3-glucuronide	C25H34O9	478.220276	NA	HMDB2010	NA	NA
+HMDB10315	4-Hydroxyandrostenedione glucuronide	C25H34O9	478.220276	NA	HMDB2010	NA	NA
+HMDB06765	 2-Methoxy-estradiol-17beta 3-glucuronide	C25H34O9	478.22028	http://www.hmdb.ca/metabolites/HMDB06765	HMDB	NA	NA
+HMDB06765	 2-Methoxy-estradiol-17beta 3-glucuronide	C25H34O9	478.22028	HMDB06765	PFEM_hmdb_metabocards_official	NA	NA
+MJ070927	1,5,6,7-Tetrahydroxy-17-vouacapanoic acid, 1,6-Di-Ac, Me ester 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070928	15,16-Epoxy-4-hydroxy-18-nor-2,13(16),14-clerodatrien-17,12-olide, 4-O-?-D-Glucopyranoside 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070929	18,19-Epoxy-2,6,18,19-tetrahydroxy-15-nor-3,12-clerodadien-14-al, 2,18,19-Tri-Ac 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070930	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6,9-Diangeloyl 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070931	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(3-methyl-2-butenoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070932	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2-propanoyl, 9-Ac 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070933	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 9-propanoyl, 2-Ac 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070934	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2E-butenoyl), 3-(2-hydroxy-3-methylbutanoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070935	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Hydroxy-2-hydroxymethyl-2Z-butenoyl), 3-(2-hydroxy-3-methylbutanoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070936	6-Hydroxychaparrin; 6?-form, 6-O-(3-Methyl-2-butenoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070937	6-Hydroxychaparrin; 6?-form, 6-Tigloyl 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070938	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-propanoyl, 14-Ac 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070939	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-(2-methylbutanoyl), Me ester 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070940	Cedronolactone A 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070941	Glaucarubol; 13,18-Didehydro, 15-(3-methylbutanoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070942	Glaucarubol; 2-Ketone, 15-(2-methylbutanoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070943	Glaucarubol; 2-Ketone, 15-(3-methylbutanoyl) 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070944	Hannokinol, 5-O-?-D-Glucopyranoside 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070945	Nigakilactone N; 11,12-Di-Ac 	C25H34O9	478.220282	NA	MeJP	NA	NA
+MJ070946	Simalikalactone D 	C25H34O9	478.220282	NA	MeJP	NA	NA
+C08746	Ailanthinone	C25H34O9	478.2203	NA	KEGG	NA	NA
+C08755	Castelanone	C25H34O9	478.2203	NA	KEGG	NA	NA
+C08783	Simalikilactone D	C25H34O9	478.2203	NA	KEGG	NA	NA
+C11131	2-Methoxy-estradiol-17beta 3-glucuronide	C25H34O9	478.2203	NA	KEGG	NA	NA
+PJ002326	SNKM 	C18H34N6O7S	478.221	NA	PeJP	NA	NA
+3992	f(45-48) of bovine lactoferrin 	CIRA	478.222	antithrombotic	Inhouse_peptide	NA	peptide
+PJ002327	PCLF 	C23H34N4O5S	478.225	NA	PeJP	NA	NA
+PJ002328	VVMM 	C20H38N4O5S2	478.2284	NA	PeJP	NA	NA
+PJ002329	SVHH 	C20H30N8O6	478.2289	NA	PeJP	NA	NA
+MJ070947	Celesticetin B 	C21H38N2O8S	478.234886	NA	MeJP	NA	NA
+MJ070948	Desalicetin; 2'-Butanoyl 	C21H38N2O8S	478.234886	NA	MeJP	NA	NA
+MJ070949	1,3,6,7-Tetrahydroxy-2,5,8-triprenylxanthone; 7-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070950	1,4,9-Trihydroxydihydro-?-agarofuran, 1,9-Dibenzoyl 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070951	1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxy-7-(3-methyl-2-butenyl)xanthone, 2-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070952	1-[5,7-Dihydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one, Tetra-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070953	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Benzoyl, 14-Ac 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070954	2,3,6,8-Tetrahydroxy-1-(3,7-dimethyl-2,6-octadienyl)-5-prenylxanthone, 2-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070955	Bractatin; 1-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070956	Ethyl 3,5,6-tri-O-benzylglucofuranoside 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070957	Isobractatin; 1-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070958	Kansuiphorin C 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070959	Mogoltin; 2'-Ketone, 3'-O-angeloyl 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070960	Neobractatin; 1-Me ether 	C29H34O6	478.235538	NA	MeJP	NA	NA
+MJ070961	Janussine A; Oxo 	C30H30N4O2	478.236876	NA	MeJP	NA	NA
+PJ002330	GSSTK 	C18H34N6O9	478.2387	NA	PeJP	NA	NA
+PJ002331	SPLY 	C23H34N4O7	478.2428	NA	PeJP	NA	NA
+MJ070962	Mosapramine 	C28H35ClN4O	478.249939	NA	MeJP	NA	NA
+MJ070963	Diflucortolone; 21-(2,2-Dimethylpropanoyl) 	C27H36F2O5	478.25308	NA	MeJP	NA	NA
+MJ070964	Diflucortolone; 21-Pentanoyl 	C27H36F2O5	478.25308	NA	MeJP	NA	NA
+PJ002332	GQKF 	C22H34N6O6	478.254	NA	PeJP	NA	NA
+MJ070965	15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 6-Butanoyl, 7-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070966	15,17-Epoxy-6,7,17-trihydroxy-16-spongianone, 7-Butanoyl, 6-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070967	16-Kaurene-1,3,7,11,15-pentol, 1,7,11-tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070968	2,3-Epoxy-5,8,10,11-tetrahydroxy-7(14)-bisabolen-4-one; 11-Me ether, 5,8-di-O-angeloyl 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070969	2,5,9,10-Tetrahydroxy-4(20)-taxen-13-one, 2,9,10-Tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070970	3,4:6,13-Diepoxy-8-eunicellene-2,12,15-triol, Tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070971	3-Hydroxy-8,12,14-labdatrien-16,15-olide, O-?-D-Glucopyranoside 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070972	4(20),11-Taxadiene-2,5,9,10,13-pentol, 9,10,13-Tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070973	4,18:8,13-Diepoxy-6,19-dihydroxy-15,16-clerodanolide, 6-(Methylpropanoyl), 19-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070974	4,5-Epoxy-1,3,8,10-tetrahydroxy-11-germacren-9-one, 10-Me ether, 3,8-diangeloyl 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070975	6,13-Epoxy-3,8-eunicelladiene-2,11,12,15-tetrol, 2,11,15-Tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070976	6,13-Epoxy-7-eunicellene-3,4,9,12-tetrol, 9-Ketone, 3,4,12-tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070977	6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, 9-Ketone, 3,4,12-tri-Ac 	C26H38O8	478.256668	NA	MeJP	NA	NA
+MJ070978	O-Demethylstriatin C; O15-Me 	C26H38O8	478.256668	NA	MeJP	NA	NA
+PJ002333	TCKK 	C19H38N6O6S	478.2574	NA	PeJP	NA	NA
+MJ070979	Mucronine A; Bis-N-de-Me 	C27H34N4O4	478.258005	NA	MeJP	NA	NA
+MJ070980	Azamulin 	C24H38N4O4S	478.261376	NA	MeJP	NA	NA
+MJ070981	Antibiotic I-SKA1 	C20H38N4O9	478.263878	NA	MeJP	NA	NA
+3092	oxyntomodulin	KRNKNNIA	478.26935	MH2+	Inhouse_peptide	NA	peptide
+FL1DAANI0002	3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone	C30H38O5	478.27192	156788-64-6	knapsack	NA	NA
+MJ070982	3-Geranyl-2',4,4',6'-tetrahydroxy-5-prenyldihydrochalcone 	C30H38O5	478.271924	NA	MeJP	NA	NA
+MJ070983	Isopristimerin III; 23-Oxo 	C30H38O5	478.271924	NA	MeJP	NA	NA
+MJ070984	Kazinol R 	C30H38O5	478.271924	NA	MeJP	NA	NA
+MJ070985	Netzahualcoyondiol; 22-Deoxy 	C30H38O5	478.271924	NA	MeJP	NA	NA
+2668	synthetic fr, of human beta-CN (124-127) ACE inhibitor	LHLP	478.278	NA	Inhouse_peptide	NA	peptide
+3314	NA	LLPH	478.278	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002334	ALLY 	C24H38N4O6	478.2792	NA	PeJP	NA	NA
+MJ070986	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(12-Methyltridecanoyl) 	C29H38N2O4	478.283157	NA	MeJP	NA	NA
+MJ070987	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-Tetradecanoyl 	C29H38N2O4	478.283157	NA	MeJP	NA	NA
+MJ070988	Dehydroemetine 	C29H38N2O4	478.283157	NA	MeJP	NA	NA
+MJ070989	Ikarugamycin 	C29H38N2O4	478.283157	NA	MeJP	NA	NA
+MJ070990	Psychotrine; Me ether 	C29H38N2O4	478.283157	NA	MeJP	NA	NA
+C07996	Dehydroemetine	C29H38N2O4	478.2832	NA	KEGG	NA	NA
+C17411	o-Methylpsychotrine	C29H38N2O4	478.2832	NA	KEGG	NA	NA
+MJ070991	4-Chloro-3-hydroxy-23-oxoergost-24(28)-en-21-oic acid 	C28H43ClO4	478.284987	NA	MeJP	NA	NA
+MJ070992	Joramine 	C23H38N6O5	478.290368	NA	MeJP	NA	NA
+PJ002335	GKKF 	C23H38N6O5	478.2904	NA	PeJP	NA	NA
+MJ070993	10-Aromadendranol, O-[3-Methyl-2-butenoyl-(?3)-2-O-acetyl-?-L-arabinopyranoside] 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ070994	2,3,11,14,20,22-Hexahydroxycholesta-7,24-dien-6-one 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ070995	2,3,11,14,20,22-Hexahydroxycholesta-7,25-dien-6-one 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ070996	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2-Ketone 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ070997	2,3,14,20,22,25-Hexahydroxycholesta-4,7-dien-6-one 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ070998	22,25-Epoxy-2,3,5,14,20-pentahydroxycholest-7-en-6-one 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ070999	3,12-Cyathadiene-11,14,15-triol, 15-Aldehyde, 11-Et ether, 14-O-?-D-xylopyranoside 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071000	8(17),14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 20-Ac 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071001	8,20-Epoxy-14-labdene-2,3,7,13-tetrol, 2-Angeloyl, 3-Ac 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071002	Acutiphycin; 20,21-Didehydro 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071003	Spirost-25(27)-ene-1,3,4,5,6-pentol 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071004	Spirostane-2,3,5,6,24-pentol, 6-Ketone 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071005	Vulgaroside; 25-Ac 	C27H42O7	478.293053	NA	MeJP	NA	NA
+MJ071006	N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide 	C27H38N6O2	478.305624	NA	MeJP	NA	NA
+MJ071007	Abiesanolide A; Me ester 	C31H42O4	478.308309	NA	MeJP	NA	NA
+MJ071008	Ergosta-22,25-dien-3-ol, O-Sulfate 	C28H46O4S	478.31168	NA	MeJP	NA	NA
+MJ071009	2,3,14,20,22-Pentahydroxyergost-7-en-6-one 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071010	3,11,14,20,22-Pentahydroxyergost-7-en-6-one 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071011	6,13:12,16-Diepoxy-8(19)-eunicellene-4,9,11-triol, 11-Octanoyl 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071012	7,14-Labdadien-13-ol, O-(4-Acetyl-6-deoxy-?-L-idopyranoside) 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071013	Brassinolide; 23-Ketone, 24-epimer 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071014	Dolicholide 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071015	Hippuristanol; 2?-Hydroxy 	C28H46O6	478.329439	NA	MeJP	NA	NA
+MJ071016	16,28-Dotriacontadiene-2,4,6,31-tetrayne-1,8,30-triol 	C32H46O3	478.344695	NA	MeJP	NA	NA
+MJ071017	21-Hydroxycycloarta-1,11,24-trien-3-one; Ac 	C32H46O3	478.344695	NA	MeJP	NA	NA
+MJ071018	2,3,22,23-Tetrahydroxystigmastan-6-one 	C29H50O5	478.365824	NA	MeJP	NA	NA
+MJ071019	3,7,12-Trihydroxystigmastan-26-oic acid 	C29H50O5	478.365824	NA	MeJP	NA	NA
+MJ071020	Cholestane-3,5,6,17-tetrol, 6-Ac 	C29H50O5	478.365824	NA	MeJP	NA	NA
+MJ071021	Cholestane-3,5,6,18-tetrol, 18-Ac 	C29H50O5	478.365824	NA	MeJP	NA	NA
+MJ071022	Cholestane-3,5,6,26-tetrol, 26-Ac 	C29H50O5	478.365824	NA	MeJP	NA	NA
+MJ071023	?-Tocopherolhydroquinone; 1,4-Quinone, 11'?,14'S-dihydroxy 	C29H50O5	478.365824	NA	MeJP	NA	NA
+MJ071024	Efrapeptin B 	C26H48N5O3	478.375715	NA	MeJP	NA	NA
+MJ071025	Araguspongine C 	C28H50N2O4	478.377058	NA	MeJP	NA	NA
+MJ071026	Carpaine 	C28H50N2O4	478.377058	NA	MeJP	NA	NA
+C10135	Carpaine	C28H50N2O4	478.3771	NA	KEGG	NA	NA
+MJ071027	4-Methyl-7-(1-methylethenyl)-1-azulenecarboxaldehyde; 15-Alcohol, octadecanoyl 	C33H50O2	478.38108	NA	MeJP	NA	NA
+MJ071028	Plakinamine B; 3-Epimer, 4-oxo, N3-Me 	C32H50N2O	478.392314	NA	MeJP	NA	NA
+MJ071029	2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-2,3,22,23-tetrol 	C30H54O4	478.40221	NA	MeJP	NA	NA
+MJ071030	Quassiol D 	C30H54O4	478.40221	NA	MeJP	NA	NA
+MJ071031	Sapelenin B 	C30H54O4	478.40221	NA	MeJP	NA	NA
+MJ071032	10,14,16-Hentriacontanetrione 	C31H58O3	478.438595	NA	MeJP	NA	NA
+MJ071033	7,16,18-Hentriacontanetrione 	C31H58O3	478.438595	NA	MeJP	NA	NA
+MJ071034	10,12-Dotriacontanedione 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071035	11,13-Dotriacontanedione 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071036	11-Oxodotriacontanal 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071037	12,14-Dotriacontanedione 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071038	13-Oxodotriacontanal 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071039	15-Oxodotriacontanal 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071040	22-Methyl-3,19-hentriacontanedione 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071041	7-Oxodotriacontanal 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071042	8-Dotriacontenoic acid 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071043	9-Octadecenoic acid, Tetradecyl ester 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071044	9-Oxodotriacontanal 	C32H62O2	478.474981	NA	MeJP	NA	NA
+MJ071045	12-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071046	16-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071047	2-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071048	23-Methyl-3-dotriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071049	27-Cyclohexyl-7-heptacosanol 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071050	3-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071051	4-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071052	6-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071053	9-Tritriacontanone 	C33H66O	478.511366	NA	MeJP	NA	NA
+MJ071054	Tetratriacontane 	C34H70	478.547752	NA	MeJP	NA	NA
+7659	ACE inhibitor from as2-CN (92-98)	FPQYLQY	478.723	MH2+	Inhouse_peptide	NA	peptide
+7735	Led-NPF-II	APSLRLRF~	478.7875	MH2+	Inhouse_peptide	NA	peptide
+C14847	3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene	C16H22BrN3O7S	479.0362	NA	KEGG	NA	NA
+C14848	2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene	C16H22BrN3O7S	479.0362	NA	KEGG	NA	NA
+MJ071055	Cefteram 	C16H17N9O5S2	479.079406	NA	MeJP	NA	NA
+MJ071056	Chingazumianine 	C23H23Cl2NO6	479.090242	NA	MeJP	NA	NA
+MJ071057	7-(Methylthio)heptyl glucosinolate; S-Oxide 	C15H29NO10S3	479.095358	NA	MeJP	NA	NA
+FL7AAHGA0001	Petunidin 3-galactoside	C22H23O12	479.11895	28500-02-9	knapsack	NA	NA
+FL7AAHGL0001	Petunidin 3-glucoside	C22H23O12	479.11895	6988-81-4	knapsack	NA	NA
+FL7ABGGL0001	Pulchellidin 3-glucoside	C22H23O12	479.11895	-	knapsack	NA	NA
+C12139	Petunidin 3-O-glucoside	C22H23O12	479.119	NA	KEGG	NA	NA
+MJ071058	Polyoxin M; 5-Fluoro 	C16H22FN5O11	479.129984	NA	MeJP	NA	NA
+PJ002336	CNDE 	C16H25N5O10S	479.1322	NA	PeJP	NA	NA
+PJ002337	GCDW 	C20H25N5O7S	479.1475	NA	PeJP	NA	NA
+PJ002338	GSSDD 	C16H25N5O12	479.15	NA	PeJP	NA	NA
+PJ002339	GPTCC 	C17H29N5O7S2	479.1509	NA	PeJP	NA	NA
+MJ071059	Nikkomycin PX 	C20H25N5O9	479.165227	NA	MeJP	NA	NA
+MJ071060	Nikkomycin X; 5'''-Deoxy 	C20H25N5O9	479.165227	NA	MeJP	NA	NA
+MJ071061	Nikkomycin Z; 5'''-Deoxy 	C20H25N5O9	479.165227	NA	MeJP	NA	NA
+PJ002340	SNEM 	C17H29N5O9S	479.1686	NA	PeJP	NA	NA
+MJ071062	Kalihinol F; 5,10,16-Triisothiocyanate 	C23H33N3O2S3	479.173489	NA	MeJP	NA	NA
+MJ071063	1-(N,N-Dimethylcarbamoyl)-4-ethynyl-3-[3-fluoro-4-[(1H-2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole 	C28H22FN5O2	479.175753	NA	MeJP	NA	NA
+PJ002341	SCDR 	C16H29N7O8S	479.1799	NA	PeJP	NA	NA
+PJ002342	GSMW 	C21H29N5O6S	479.1839	NA	PeJP	NA	NA
+MJ071064	Ailanthoidine 	C29H25N3O4	479.184506	NA	MeJP	NA	NA
+PJ002343	GSSTE 	C17H29N5O11	479.1864	NA	PeJP	NA	NA
+PJ002344	AQMM 	C18H33N5O6S2	479.1872	NA	PeJP	NA	NA
+PJ002345	GAAMM 	C18H33N5O6S2	479.1873	NA	PeJP	NA	NA
+MJ071065	Stephabenine 	C27H29NO7	479.194402	NA	MeJP	NA	NA
+PJ002346	ACMR 	C17H33N7O5S2	479.1985	NA	PeJP	NA	NA
+PJ002347	SSTW 	C21H29N5O8	479.2016	NA	PeJP	NA	NA
+PJ002348	SDKM 	C18H33N5O8S	479.205	NA	PeJP	NA	NA
+C07264	Nicardipine	C26H29N3O6	479.2056	NA	KEGG	NA	NA
+C07265	Transferred to D00436	C26H29N3O6	479.2056	NA	KEGG	NA	NA
+MJ071066	Nicardipine 	C26H29N3O6	479.205635	NA	MeJP	NA	NA
+MJ071067	Picrasidine F 	C29H27N4O3	479.208315	NA	MeJP	NA	NA
+MJ071068	Meticillin; Diethylaminoethyl ester 	C23H33N3O6S	479.209006	NA	MeJP	NA	NA
+PJ002349	SSMR 	C17H33N7O7S	479.2162	NA	PeJP	NA	NA
+PJ002350	QFW 	C25H29N5O5	479.2169	NA	PeJP	NA	NA
+C15328	N,N-Diethyl-2-[4-[6-methoxy-2-(4-methoxyphenyl)-1H-inden-3-	C29H33NO3	479.2227	NA	KEGG	NA	NA
+PJ002351	SSSSL 	C18H33N5O10	479.2228	NA	PeJP	NA	NA
+PJ002352	AKMM 	C19H37N5O5S2	479.2236	NA	PeJP	NA	NA
+MJ071069	N-[4-[(2-Amino-3-mercaptopropyl)amino]-2-(1-naphthalenyl)benzoyl]leucine, Me ester 	C27H33N3O3S	479.224262	NA	MeJP	NA	NA
+MJ071070	Antibiotic F 1778 	C28H33NO6	479.230787	NA	MeJP	NA	NA
+8328	ACE inhibitor	VYNEGLPAP	479.23095	MH2+	Inhouse_peptide	NA	peptide
+8191	peptide from human milk	HNPI	479.2369	Short chain quaternary ammonium salts  ;SYN:(Carboxymethyl)trimethylammonium hydroxide inner salt; (Trimethylammonio)acetate; 1-Carboxy-N,N,N-trimethylmethanaminium inner salt; 1-carboxy-N,N,N-trimethyl-Methanaminium; 1-carboxy-N,N,N-trimethyl-Methanaminium hydroxide; Abromine; Aminocoat; Betafin; Betafin BCR; Betafin BP; Betaine; Cystadane; Ektasolve EE; FinnStim; Glycine betaine; Glycocoll betaine; Glycylbetaine; Greenstim; Loramine AMB 13; Loramine AMB-13; Lycine; N,N,N-Trimethylglycine; Oxyneurine; Rubrine C; Trimethylaminoacetate; Trimethylaminoacetic acid; Trimethylglycine; Trimethylglycocoll; a-Earleine; alpha-Earleine; trimethylbetaine GlycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ002353	GLQY 	C22H33N5O7	479.238	NA	PeJP	NA	NA
+7748	ACE inhibitor from Yellowfish sole frame	MIFPGGPQL	479.2402	MH2+	Inhouse_peptide	NA	peptide
+PJ002354	TTKM 	C19H37N5O7S	479.2414	NA	PeJP	NA	NA
+8095	peptide derived from rice endosperm protein	FRDEHKK	479.24195	MH2+	Inhouse_peptide	NA	peptide
+MJ071071	Andrimid 	C27H33N3O5	479.242021	NA	MeJP	NA	NA
+MJ071072	Codonocarpine, N15-Me 	C27H33N3O5	479.242021	NA	MeJP	NA	NA
+MJ071073	Fumitremorgin B 	C27H33N3O5	479.242021	NA	MeJP	NA	NA
+PJ002355	AARY 	C21H33N7O6	479.2493	NA	PeJP	NA	NA
+PJ002356	KFW 	C26H33N5O4	479.2533	NA	PeJP	NA	NA
+PJ002357	APHR 	C20H33N9O5	479.2605	NA	PeJP	NA	NA
+8157	ACE inhibitor from b-CN (63-67)	PGPIP	479.261	antibacterial	Inhouse_peptide	NA	peptide
+MJ071074	Cytochalasin B 	C29H37NO5	479.267173	NA	MeJP	NA	NA
+MJ071075	Cytochalasin F 	C29H37NO5	479.267173	NA	MeJP	NA	NA
+MJ071076	Lythramine 	C29H37NO5	479.267173	NA	MeJP	NA	NA
+MJ071077	Lythrancine I; 4-Deoxy, O11-Ac 	C29H37NO5	479.267173	NA	MeJP	NA	NA
+MJ071078	Paxilline; 3?-Alcohol, 3-Ac 	C29H37NO5	479.267173	NA	MeJP	NA	NA
+C10604	Lythramine	C29H37NO5	479.2672	NA	KEGG	NA	NA
+JH236	Taurocholic acid [M+H-2H2O]+	NA	479.272	25.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH236	Taurocholic acid [M+H-2H2O]+	NA	479.272	25.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH236	Taurocholic acid [M+H-2H2O]+	NA	479.272	25.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH236	Taurocholic acid [M+H-2H2O]+	NA	479.272	25.3	Inhousejuil11	NA	NA
+PJ002358	GLKY 	C23H37N5O6	479.2744	NA	PeJP	NA	NA
+PJ002359	PVKH 	C22H37N7O5	479.2856	NA	PeJP	NA	NA
+C08675	Delcorine	C26H41NO7	479.2883	NA	KEGG	NA	NA
+MJ071079	10-Hydroxyperegrine 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071080	Akirane 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071081	Delcorine 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071082	Dihydrogadesine; O1-Me, O14-Ac 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071083	Neoline; 1-Epimer, O14-Ac 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071084	Neoline; 6-Epimer, O14-Ac 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071085	Neoline; O14-Ac 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071086	Neoline; O8-Ac 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071087	Norerythrostachamine; O3-Ac 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071088	Senbusine A; O8-Me, 14-Ac, 6-epimer 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071089	Talitine B 	C26H41NO7	479.288302	NA	MeJP	NA	NA
+MJ071090	3',4'-Dideoxykanamycin B; 3'',6'-N,N-Di-Me 	C20H41N5O8	479.295513	NA	MeJP	NA	NA
+MJ071091	Combimicin B1 	C20H41N5O8	479.295513	NA	MeJP	NA	NA
+MJ071092	Gentamicin C; Gentamicin C2b, 2-Hydroxy 	C20H41N5O8	479.295513	NA	MeJP	NA	NA
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR587	LysoPE(18:1)	[M-H]+	479.301175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR587	LysoPE(18:1)	[M-H]+	479.301175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR587	LysoPE(18:1)	[M-H]+	479.301175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR587	LysoPE(18:1)	NA	479.301175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR587	LysoPE(18:1)	[M-H]+	479.301175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR587	LysoPE(18:1)	NA	479.301175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11475	LysoPE(0:0/18:1(11Z))	C23H46NO7P	479.301178	NA	HMDB2010	NA	NA
+HMDB11476	LysoPE(0:0/18:1(9Z))	C23H46NO7P	479.301178	NA	HMDB2010	NA	NA
+HMDB11505	LysoPE(18:1(11Z)/0:0)	C23H46NO7P	479.301178	NA	HMDB2010	NA	NA
+HMDB11506	LysoPE(18:1(9Z)/0:0)	C23H46NO7P	479.301178	NA	HMDB2010	NA	NA
+EUR721	Lyso PC 16:1 [M-H-CH3]-	C24H48NO7P	479.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR839	Lyso PE 18:1 monoisotopic mass 	C23H46NO7P	479.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR721	Lyso PC 16:1 [M-H-CH3]-	C24H48NO7P	479.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR839	Lyso PE 18:1 monoisotopic mass 	C23H46NO7P	479.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR721	Lyso PC 16:1 [M-H-CH3]-	C24H48NO7P	479.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR839	Lyso PE 18:1 monoisotopic mass 	C23H46NO7P	479.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR721	Lyso PC 16:1 [M-H-CH3]-	C24H48NO7P	479.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR839	Lyso PE 18:1 monoisotopic mass 	C23H46NO7P	479.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR588	LysoPE(18:1)	[M-H]-	479.301225	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR588	LysoPE(18:1)	[M-H]-	479.301225	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR588	LysoPE(18:1)	[M-H]-	479.301225	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR588	LysoPE(18:1)	NA	479.301225	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR588	LysoPE(18:1)	[M-H]-	479.301225	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR588	LysoPE(18:1)	NA	479.301225	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ071093	Cafamycin 	C30H41NO4	479.303558	NA	MeJP	NA	NA
+MJ071094	20-Aminopregn-5-en-3-ol, O-?-D-Glucopyranoside 	C27H45NO6	479.324688	NA	MeJP	NA	NA
+MJ071095	Amphiasterin C1 	C27H45NO6	479.324688	NA	MeJP	NA	NA
+MJ071096	Pingpeimine B 	C27H45NO6	479.324688	NA	MeJP	NA	NA
+HMDB10407	LysoPC(P-16:0)	C24H50NO6P	479.337585	NA	HMDB2010	NA	NA
+MJ071097	2-Amino-1,3,4-octadecanetriol, 1-O-?-D-Glucopyranoside 	C24H49NO8	479.345817	NA	MeJP	NA	NA
+MJ071098	Molliorin A 	C32H49NO2	479.376329	NA	MeJP	NA	NA
+3792	peptide from soybean b-conglycinin (Glycine max)	VNPHDHQN	479.70335	MH2+	Inhouse_peptide	NA	peptide
+3408	ACE inhibitor	PFFDPQIP	479.73045	MH2+	Inhouse_peptide	NA	peptide
+2612	synthetic peptide inhibitors of (PEP)	VYPFPGPIA	479.7485	MH2+	Inhouse_peptide	NA	peptide
+MJ071099	6,14,16-Tribromo-5,7,9,13,15-hexadecapentaenoic acid 	C16H19Br3O2	479.893517	NA	MeJP	NA	NA
+MJ071100	Cacoxanthene; 2?,7,13-Tribromo, 9?-hydroxy 	C16H19Br3O2	479.893517	NA	MeJP	NA	NA
+MJ071101	Cacoxanthene; 2?,7,13-Tribromo, 9?-hydroxy 	C16H19Br3O2	479.893517	NA	MeJP	NA	NA
+MJ071102	Tribromospirocacoxanthene 	C16H19Br3O2	479.893517	NA	MeJP	NA	NA
+MJ071103	Gliovirin 	C20H20N2O8S2	480.066107	NA	MeJP	NA	NA
+MJ071104	Xantholaccaic acid B 	C24H16O11	480.069261	NA	MeJP	NA	NA
+C06773	11-O-Demethylpradinone II	C24H16O11	480.0693	NA	KEGG	NA	NA
+MJ071105	Irieol F; 10-Deoxy 	C20H34Br2O3	480.08747	NA	MeJP	NA	NA
+MJ071106	Irieol F; 7-Deoxy 	C20H34Br2O3	480.08747	NA	MeJP	NA	NA
+MJ071107	2',3,3',4',5,7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071108	3',4',5',6,7,8-Hexahydroxyflavone; 8-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071109	3',4',5,5',7,8-Hexahydroxyflavone; 5-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071110	3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071111	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071112	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071113	3,3',4',5,5',7-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071114	3,3',4',5,5',7-Hexahydroxyflavone; O-D-Galactoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071115	3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071116	3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071117	3,3',4',5,6,7-Hexahydroxyflavone; 6-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071118	3,3',4',5,6,7-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071119	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071120	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071121	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071122	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071123	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucopyranoside 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071124	Bergenin; 11-O-(3,4,5-Trihydroxybenzoyl) 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071125	Bergenin; 4-O-(3,4,5-Trihydroxybenzoyl) 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071126	Shamimin 	C21H20O13	480.09039	NA	MeJP	NA	NA
+MJ071127	Telephioidin 	C21H20O13	480.09039	NA	MeJP	NA	NA
+FL3FA8CS0001	Telephioidin;6-C-beta-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone	C21H20O13	480.09039	274688-04-9	knapsack	NA	NA
+FL3FEGGS0002	6-Hydroxytricetin 5-glucoside	C21H20O13	480.09039	-	knapsack	NA	NA
+FL3FGCGS0012	Zeravschanoside;5,6,7,8,3',4'-Hexsahydroxy 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5,6,8-trihydroxy-4H-1-benzopyran-4-one	C21H20O13	480.09039	404891-11-8	knapsack	NA	NA
+FL5FAGGA0001	Myricetin 3-galactoside	C21H20O13	480.09039	15648-86-9	knapsack	NA	NA
+FL5FAGGL0001	Myricetin 3-glucoside	C21H20O13	480.09039	19833-12-6	knapsack	NA	NA
+FL5FAGGS0006	Myricetin 7-glucoside	C21H20O13	480.09039	34069-06-2	knapsack	NA	NA
+FL5FAGGS0008	Myricetin 3'-glucoside	C21H20O13	480.09039	520-14-9	knapsack	NA	NA
+FL5FALGL0001	3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one	C21H20O13	480.09039	161833-36-9	knapsack	NA	NA
+FL5FECGL0001	Tagetiin	C21H20O13	480.09039	60671-81-0	knapsack	NA	NA
+FL5FECGS0002	Quercetagetin 7-glucoside	C21H20O13	480.09039	548-75-4	knapsack	NA	NA
+FL5FECGS0052	Quercetagetin 6-glucoside;6-Hydroxyquercetin 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C21H20O13	480.09039	190328-61-1	knapsack	NA	NA
+FL5FFCGA0001	Gossypetin 3-galactoside	C21H20O13	480.09039	76960-04-8	knapsack	NA	NA
+FL5FFCGL0001	Gossypetin 3-glucoside	C21H20O13	480.09039	38965-52-5	knapsack	NA	NA
+FL5FFCGS0003	Gossypetin 7-glucoside	C21H20O13	480.09039	489-34-9	knapsack	NA	NA
+FL5FFCGS0005	Gossypetin 8-glucoside	C21H20O13	480.09039	652-78-8	knapsack	NA	NA
+C10051	Gossypin	C21H20O13	480.0904	NA	KEGG	NA	NA
+C17514	4-o-Galloylbergenin	C21H20O13	480.0904	NA	KEGG	NA	NA
+C17520	11-o-Galloylbergenin	C21H20O13	480.0904	NA	KEGG	NA	NA
+MJ071128	Doconazole 	C26H22Cl2N2O3	480.100747	NA	MeJP	NA	NA
+MJ071129	Rhodiolin 	C25H20O10	480.105646	NA	MeJP	NA	NA
+MJ071130	Scutellaprostin A; 3',4'-Dihydroxy 	C25H20O10	480.105646	NA	MeJP	NA	NA
+MJ071131	Scutellaprostin D; 3',4'-Dihydroxy 	C25H20O10	480.105646	NA	MeJP	NA	NA
+MJ071132	Silybin; 2,3-Didehydro 	C25H20O10	480.105646	NA	MeJP	NA	NA
+MJ071133	Silychristin; 2,3-Didehydro 	C25H20O10	480.105646	NA	MeJP	NA	NA
+PJ002360	CDDE 	C16H24N4O11S	480.1163	NA	PeJP	NA	NA
+MJ071134	Staphyloferrin A 	C17H24N2O14	480.122753	NA	MeJP	NA	NA
+MJ071135	Cefepime 	C19H24N6O5S2	480.124959	NA	MeJP	NA	NA
+C08111	Cefepime	C19H24N6O5S2	480.125	NA	KEGG	NA	NA
+FL4DAHGS0001	Ampelopsin 3'-methyl ether 4'-rhamnoside	C22H24O12	480.12677	71106-80-4	knapsack	NA	NA
+FL4DCCGS0001	Padmatin 3-glucoside	C22H24O12	480.12677	34425-46-2	knapsack	NA	NA
+FL4DCCGS0002	Padmatin 5-glucoside	C22H24O12	480.12677	93078-94-5	knapsack	NA	NA
+MJ071136	2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-?-D-glucopyranoside 	C22H24O12	480.126776	NA	MeJP	NA	NA
+MJ071137	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-(6-O-oxalyl-?-D-glucopyranoside) 	C22H24O12	480.126776	NA	MeJP	NA	NA
+MJ071138	3,3',4',5,5',7-Hexahydroxyflavanone, 3'-Me ether, 4'-O-?-L-rhamnopyranoside 	C22H24O12	480.126776	NA	MeJP	NA	NA
+MJ071139	3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 3-O-?-D-glucopyranoside 	C22H24O12	480.126776	NA	MeJP	NA	NA
+MJ071140	3,3',4',5,7-Pentahydroxyflavanone, 7-Me ether, 5-O-?-D-glucopyranoside 	C22H24O12	480.126776	NA	MeJP	NA	NA
+MJ071141	3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C22H24O12	480.126776	NA	MeJP	NA	NA
+MJ071142	Antibiotic TAN 1030A; 7-Oxo 	C27H20N4O5	480.143369	NA	MeJP	NA	NA
+PJ002361	CNNM 	C16H28N6O7S2	480.1461	NA	PeJP	NA	NA
+MJ071143	Napyradiomycin A 	C25H30Cl2O5	480.147029	NA	MeJP	NA	NA
+PJ002362	SDEM 	C17H28N4O10S	480.1526	NA	PeJP	NA	NA
+PJ002363	PCMM 	C18H32N4O5S3	480.1535	NA	PeJP	NA	NA
+MJ071144	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 12-Ketone, 2,9-di-Ac 	C24H29ClO8	480.155095	NA	MeJP	NA	NA
+MJ071145	7-Protoilludene-1,5,6,9,14-pentol, 14-Aldehyde, 5-(3-chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H29ClO8	480.155095	NA	MeJP	NA	NA
+MJ071146	Blestriarene C; 9,10-Dihydro 	C30H24O6	480.157288	NA	MeJP	NA	NA
+MJ071147	Blestrin C 	C30H24O6	480.157288	NA	MeJP	NA	NA
+MJ071148	Blestrin D 	C30H24O6	480.157288	NA	MeJP	NA	NA
+C10248	Blestriarene B	C30H24O6	480.1573	NA	KEGG	NA	NA
+MJ071149	Prospidium(2+); Dichloride 	C18H36Cl4N4O2	480.159237	NA	MeJP	NA	NA
+MJ071150	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), Me ester 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071151	2-Isopropyl-5-methyl-1,4-benzenediol; 5-O-(3-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071152	2-Isopropyl-5-methyl-1,4-benzenediol; 5-O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071153	4,5-Epoxy-3,8,9-trihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(2R,3R-Epoxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071154	4,5-Epoxy-8,10,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(2-Hydroxymethylpropenoyl), 10,13-di-Ac 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071155	6-Methoxy-5-(3-methyl-2-butenyl)-2H-furo[2,3-h][1]benzopyran-2-one; 2',3'-Dihydro, 2',3'-dihydroxy, 3'-O-?-D-glucopyranoside 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071156	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-Ac, 15-O-?-D-glucopyranoside 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071157	Albiflorin 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071158	Aucubigenin; 10-O-(4-Methoxybenzoyl), 1-O-?-D-glucopyranoside 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071159	Bruceanol A; 15-Deacyl, 15-Ac 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071160	Bruceolide; 15-Ac 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071161	Loganic acid; 7-O-Benzoyl 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071162	Paeoniflorin 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071163	Protofarrerol; 7-O-?-D-Glucopyranoside 	C23H28O11	480.163161	NA	MeJP	NA	NA
+MJ071164	Tecomoside; 7-Benzoyl 	C23H28O11	480.163161	NA	MeJP	NA	NA
+C08751	Bruceine B	C23H28O11	480.1632	NA	KEGG	NA	NA
+C08770	Isobrucein B	C23H28O11	480.1632	NA	KEGG	NA	NA
+C09959	Paeoniflorin	C23H28O11	480.1632	NA	KEGG	NA	NA
+PJ002364	GSSCQ 	C16H28N6O9S	480.1639	NA	PeJP	NA	NA
+PJ002365	PCDF 	C21H28N4O7S	480.1679	NA	PeJP	NA	NA
+PJ002366	AEMM 	C18H32N4O7S2	480.1713	NA	PeJP	NA	NA
+MJ071165	Tajixanthone; 14-Hydroxy, 25-Ac 	C27H28O8	480.178417	NA	MeJP	NA	NA
+MJ071166	Antibiotic K 252b; 3'-Deoxy, 3'-(methylamino), Me ester 	C28H24N4O4	480.179755	NA	MeJP	NA	NA
+MJ071167	Picrasidine H 	C28H24N4O4	480.179755	NA	MeJP	NA	NA
+MJ071168	Staurosporine; 7-Oxo 	C28H24N4O4	480.179755	NA	MeJP	NA	NA
+PJ002367	SSSSN 	C16H28N6O11	480.1816	NA	PeJP	NA	NA
+MJ071169	Tetrahydro-2-[3-methoxy-5-(methylsulfonyl)-4-propoxyphenyl]-5-(3,4,5-trimethoxyphenyl)furan 	C24H32O8S	480.181788	NA	MeJP	NA	NA
+PJ002368	CCQK 	C17H32N6O6S2	480.1825	NA	PeJP	NA	NA
+MJ071170	Eleganoside C; 7-O-De-Me, 7-(2-hydroxypropyl) ether 	C20H32O13	480.184291	NA	MeJP	NA	NA
+MJ071171	5-Pentadecyl-1,3-benzenediol; Di-O-sulfate 	C21H36O8S2	480.185159	NA	MeJP	NA	NA
+PJ002369	SPDY 	C21H28N4O9	480.1856	NA	PeJP	NA	NA
+PJ002370	GEEF 	C21H28N4O9	480.1857	NA	PeJP	NA	NA
+PJ002371	TTEM 	C18H32N4O9S	480.189	NA	PeJP	NA	NA
+PJ002372	GMHH 	C19H28N8O5S	480.1904	NA	PeJP	NA	NA
+PJ002373	GNQY 	C20H28N6O8	480.1969	NA	PeJP	NA	NA
+C16752	Acevaltrate	C24H32O10	480.1995	NA	KEGG	NA	NA
+MJ071172	1,4,5,8,13-Pentahydroxy-7(11)-muurolen-12,6-olide, 8-Tigloyl, 5,13-di-Ac 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071173	1,4-Epoxy-1,8,10,13-tetrahydroxy-5,7(11)-germacradien-12,6-olide, 1-(3-Methylbutanoyl), 8,13-di-Ac 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071174	17(15?16)-Abeo-3?,18-diacetoxy-6?,7?,16-trihydroxyroyleanone 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071175	2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8,9-Bis(2-methylpropanoyl), Me ester 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071176	5,10-Epoxy-3,8,15-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl), 15-Ac 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071177	5,10-Epoxy-3,8,15-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl), 3-Ac 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071178	Alysine B; 3-De-Ac 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071179	Soulameanone; 1,12-Di-Ac 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071180	Valtrate; 2''-Acetoxy 	C24H32O10	480.199547	NA	MeJP	NA	NA
+MJ071181	Valtrate; 3'-Acetoxy 	C24H32O10	480.199547	NA	MeJP	NA	NA
+PJ002374	GSSCK 	C17H32N6O8S	480.2003	NA	PeJP	NA	NA
+PJ002375	EFW 	C25H28N4O6	480.2009	NA	PeJP	NA	NA
+PJ002376	APMY 	C22H32N4O6S	480.2043	NA	PeJP	NA	NA
+MJ071182	Paraensidimerine A; 16,16a-Didehydro 	C30H28N2O4	480.204907	NA	MeJP	NA	NA
+PJ002377	SLMM 	C19H36N4O6S2	480.2076	NA	PeJP	NA	NA
+MJ071183	Methionylmethionylisoleucylalanineyl 	C19H36N4O6S2	480.207626	NA	MeJP	NA	NA
+PJ002378	STHH 	C19H28N8O7	480.2081	NA	PeJP	NA	NA
+15	Actomyosin	DLYA	480.211	celiac toxic	Inhouse_peptide	NA	peptide
+MJ071184	Quinespar 	C24H28N6O5	480.212118	NA	MeJP	NA	NA
+MJ071185	Spirofylline 	C24H28N6O5	480.212118	NA	MeJP	NA	NA
+MJ071186	Cedrelone; 11?-Acetoxy 	C28H32O7	480.214803	NA	MeJP	NA	NA
+MJ071187	Garcidepsidone A 	C28H32O7	480.214803	NA	MeJP	NA	NA
+MJ071188	Garcidepsidone B 	C28H32O7	480.214803	NA	MeJP	NA	NA
+MJ071189	Melifolin 	C28H32O7	480.214803	NA	MeJP	NA	NA
+MJ071190	Sorbiquinol 	C28H32O7	480.214803	NA	MeJP	NA	NA
+PJ002379	PPMH 	C21H32N6O5S	480.2155	NA	PeJP	NA	NA
+C15552	PD 123177	C29H28N4O3	480.2161	NA	KEGG	NA	NA
+MJ071191	1-[(4-Amino-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid 	C29H28N4O3	480.21614	NA	MeJP	NA	NA
+MJ071192	Staurosporine; 4'-N-Me 	C29H28N4O3	480.21614	NA	MeJP	NA	NA
+PJ002380	CCKK 	C18H36N6O5S2	480.2189	NA	PeJP	NA	NA
+MJ071193	8-Hydroxy-2,6-dimethyl-2-octenoic acid, 8-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H36O12	480.220676	NA	MeJP	NA	NA
+PJ002381	GLEY 	C22H32N4O8	480.222	NA	PeJP	NA	NA
+8021	synthetic peptide	LWY	480.226	antibacterial	Inhouse_peptide	NA	peptide
+PJ002382	GNKY 	C21H32N6O7	480.2333	NA	PeJP	NA	NA
+HMDB10338	11-Oxo-androsterone glucuronide	C25H36O9	480.235931	NA	HMDB2010	NA	NA
+MJ071194	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 9-Angeloyl, 6-(3-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071195	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071196	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2R-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071197	2,5-Epoxy-5,6,9,10-tetrahydroxy-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(3-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071198	2,6,9,10-Tetrahydroxy-5-oxo-11(13)-germacren-12,8-olide, 6-Angeloyl, 9-(2-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071199	3,8,9,10-Tetrahydroxy-1-oxo-11(13)-germacren-12,6-olide, 8-Angeloyl, 9-(2-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071200	7,20-Epoxy-6,7,11,17,19-pentahydroxy-15-kauranone, 17-Me ether, 11,19-di-Ac 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071201	Glaucarubol; 15-(2-Methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071202	Luminacin; Luminacin C1 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071203	Neosolaniol; 8-Hexanoyl 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071204	Toxin HT2; 4-Propanoyl 	C25H36O9	480.235932	NA	MeJP	NA	NA
+MJ071205	Valtrate; 11-De-Ac, 11-O-(3-hydroxy-3-methylbutanoyl) 	C25H36O9	480.235932	NA	MeJP	NA	NA
+PJ002383	LYW 	C26H32N4O5	480.2373	NA	PeJP	NA	NA
+2865	NA	YPFVEPIP	480.2405	MH2+	Inhouse_peptide	NA	peptide
+PJ002384	ALMF 	C23H36N4O5S	480.2407	NA	PeJP	NA	NA
+MJ071206	18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide, 4-Ketone, 18-Me ether 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071207	2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid; 23-Aldehyde 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071208	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071209	Decinnamoyljolkinol B; 20-Hydroxy, 15-cinnamoyl 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071210	Decinnamoyljolkinol B; 3-Benzoyl, 15-Ac 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071211	Mogoltin; 3'-O-Angeloyl 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071212	O-(3-Hydroxy-6,8(12)-drimadien-11-yl)umbelliferone, O-(3-hydroxy-3-methylbutanoyl) 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071213	Phototaxicin II; 5-Cinnamoyl(E-) 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071214	Tovophenone B 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071215	Tovophenone C 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071216	Vedelianin 	C29H36O6	480.251188	NA	MeJP	NA	NA
+MJ071217	3,7-Dimethyl-6-octen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C22H40O11	480.257062	NA	MeJP	NA	NA
+MJ071218	3-Hydroxydecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C22H40O11	480.257062	NA	MeJP	NA	NA
+PJ002385	SVLY 	C23H36N4O7	480.2584	NA	PeJP	NA	NA
+2616	synthetic peptide inhibitors of (PEP)	IFPFVEPI	480.259	MH2+	Inhouse_peptide	NA	peptide
+C09327	Alangicine	C28H36N2O5	480.2624	NA	KEGG	NA	NA
+MJ071219	Alangicine 	C28H36N2O5	480.262422	NA	MeJP	NA	NA
+MJ071220	Clocapramine 	C28H37ClN4O	480.265589	NA	MeJP	NA	NA
+MJ071221	10(20),15-Grayanotoxadiene-3,5,6-triol, 3-O-?-D-Glucopyranoside 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071222	12-Hydroxy-15-beyeren-18-oic acid; 12?-form, 18-O-?-D-Glucopyranosyl ester 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071223	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-?-D-Glucopyranoside 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071224	14,17-Epidioxy-?13(21)-salvileucolide; Me ester 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071225	15-Hydroxy-16-kauren-19-oic acid, ?-D-Allopyranosyl ester 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071226	15-Hydroxy-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071227	16-Kaurene-6,15,20-triol, 6-Ketone, 20-O-?-D-glucopyranoside 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071228	19-Hydroxy-8(17),13-labdadien-16,15-olide; ent-form, O-?-D-Glucopyranoside 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071229	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 15,19-Di-Et ether, 6-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071230	3(16)-Fusicoccene-4,8,9,14,18-pentol, 8,9,18-Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071231	3,16-Dihydroxy-10(20)-leucothen-5-one, 16-O-?-D-Glucopyranoside 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071232	4,18:11,16:15,16-Triepoxy-6,15,19-clerodanetriol, 15-Et ether, 6,19-di-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071233	6,13-Epoxy-7-eunicellene-3,4,9,12-tetrol, 3,4,12-Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071234	6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, 3,4,12-Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071235	6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, 3,4,9-Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071236	6,13-Epoxy-8-eunicellene-2,3,4,12-tetrol, 2,3,4-Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071237	6,15-Dihydroxy-8(17),13-labdadien-19-oic acid, 19?6 Lactone, 15-O-?-D-glucopyranoside 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071238	7,15-Isopimaradiene-3,19-diol, 19-O-?-D-Altropyranosiduronic acid 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071239	8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 1,6,11-Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071240	9,13-Epoxy-4,8,12-trihydroxy-6-eunicellone, Tri-Ac 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071241	Salvileucolide; 14-hydroperoxy, Me ester 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071242	Salvileucolide; 13-hydroperoxy, Me ester 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071243	Soraphen R 	C26H40O8	480.272318	NA	MeJP	NA	NA
+MJ071244	Difenoxin; Butyl ester 	C32H36N2O2	480.277678	NA	MeJP	NA	NA
+MJ071245	Combimicin A2 	C20H40N4O9	480.279528	NA	MeJP	NA	NA
+MJ071246	2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid; 3-Me ether 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071247	2,3-Dihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid; Me ester 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071248	3-Hydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 28?3 Lactone 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071249	3-Hydroxy-24-nor-2,7-dioxo-1(10),3,5-friedelatrien-29-oic acid; Me ester 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071250	Celastrol; 15?-Hydroxy, Me ester 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071251	Celastrol; 21?-Hydroxy, Me ester 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071252	Celastrol; 30-Hydroxy, Me ester 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071253	Helisplendidilactone 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071254	Ingenol; 20-Deoxy, 3-(2E,4Z,6-decatrienoyl) 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071255	Ingenol; 20-Deoxy, 5-(2E,4Z,6-decatrienoyl) 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071256	Lancilactone A 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071257	Minabeolide 1; 18-Acetoxy 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071258	Schisanlactone C 	C30H40O5	480.287574	NA	MeJP	NA	NA
+MJ071259	Rauwolfia obscura Alkaloid D2 	C31H36N4O	480.288911	NA	MeJP	NA	NA
+MJ071260	Usambarine; 10-Hydroxy, N4-Me 	C31H37N4O(+)	480.288911	NA	MeJP	NA	NA
+MJ071261	Usambarine; 11-Hydroxy, N4-Me 	C31H37N4O(+)	480.288911	NA	MeJP	NA	NA
+C09421	Emetine	C29H40N2O4	480.2988	NA	KEGG	NA	NA
+MJ071262	Emetine 	C29H40N2O4	480.298807	NA	MeJP	NA	NA
+PJ002386	VLLH 	C23H40N6O5	480.306	NA	PeJP	NA	NA
+C02633	20-Hydroxyecdysone	C27H44O7	480.3087	NA	KEGG	NA	NA
+C08811	Ajugasterone C	C27H44O7	480.3087	NA	KEGG	NA	NA
+C08819	Inokosterone	C27H44O7	480.3087	NA	KEGG	NA	NA
+C08820	Cholla gum	C27H44O7	480.3087	NA	KEGG	NA	NA
+C08838	Pterosterone	C27H44O7	480.3087	NA	KEGG	NA	NA
+C16499	26-Hydroxyecdysone	C27H44O7	480.3087	NA	KEGG	NA	NA
+C16992	Callinecdysone A	C27H44O7	480.3087	NA	KEGG	NA	NA
+MJ071263	2,3,11,14,22,25-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071264	2,3,14,20,21,25-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071265	2,3,14,20,22,24-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071266	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071267	2,3,14,20,22,26-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071268	2,3,14,20,24,25-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071269	2,3,14,22,24,25-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071270	2,3,14,22,25,26-Hexahydroxycholest-7-en-6-one 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071271	Acutiphycin 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071272	Ajugasterone C 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071273	Cholesta-7,22-diene-2,3,5,6,9,11,19-heptol 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071274	Fuscoside A 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071275	Pregn-5-ene-3,12,14,20-tetrol, 3-O-?-D-Digitoxoside 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071276	Pregn-6-ene-3,17,20-triol, 3-O-Fucopyranoside 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071277	Spirostane-1,2,3,4,5-pentol 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MJ071278	Xestobergsterol B 	C27H44O7	480.308703	NA	MeJP	NA	NA
+MetaCyc03679	20-hydroxyecdysone []	C27H44O7	480.308704	5289-74-7	metacyc	NA	NA
+MJ071279	Terpeptin 	C28H40N4O3	480.310041	NA	MeJP	NA	NA
+MJ071280	Difficol; 6-Hydroxy 	C31H44O4	480.323959	NA	MeJP	NA	NA
+MJ071281	Papuaforin E 	C31H44O4	480.323959	NA	MeJP	NA	NA
+MJ071282	Borreverine 	C32H40N4	480.325297	NA	MeJP	NA	NA
+MJ071283	Isoborreverine 	C32H40N4	480.325297	NA	MeJP	NA	NA
+C09082	Borreverine	C32H40N4	480.3253	NA	KEGG	NA	NA
+MJ071284	Ergost-5-en-3-ol, O-Sulfate 	C28H48O4S	480.32733	NA	MeJP	NA	NA
+MJ071285	11,15-Dihydroxy-9-(1-oxobutoxy)prosta-8,13-dien-1-oic acid, Butyl ester 	C28H48O6	480.345089	NA	MeJP	NA	NA
+MJ071286	Brassinolide 	C28H48O6	480.345089	NA	MeJP	NA	NA
+MJ071287	Ergost-22-ene-3,5,6,15,25,26-hexol 	C28H48O6	480.345089	NA	MeJP	NA	NA
+MJ071288	Ergost-24(28)-ene-3,6,8,15,16,26-hexol 	C28H48O6	480.345089	NA	MeJP	NA	NA
+MJ071289	Tetrahydroxysterocholanic acid 	C28H48O6	480.345089	NA	MeJP	NA	NA
+MetaCyc03680	brassinolide []	C28H48O6	480.345089	NA	metacyc	NA	NA
+C08814	Brassinolide	C28H48O6	480.3451	NA	KEGG	NA	NA
+C08815	Agar	C28H48O6	480.3451	NA	KEGG	NA	NA
+C11049	24-epi-Brassinolide	C28H48O6	480.3451	NA	KEGG	NA	NA
+MJ071290	Demethylcacalohastine; 3,4-Didehydro, 14-hexadecyloxy, 9-Me ether 	C32H48O3	480.360345	NA	MeJP	NA	NA
+MJ071291	3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, O4-benzoyl 	C31H48N2O2	480.371578	NA	MeJP	NA	NA
+MJ071292	Plakinamine A; 3-Epimer, 4?-hydroxy, N3-Ac 	C31H48N2O2	480.371578	NA	MeJP	NA	NA
+MJ071293	Crambescin B 	C25H48N6O3	480.378789	NA	MeJP	NA	NA
+MJ071294	Crambescin C1 	C25H48N6O3	480.378789	NA	MeJP	NA	NA
+MJ071295	23-Methylene-12-ursen-3-ol, Ac 	C33H52O2	480.39673	NA	MeJP	NA	NA
+MJ071296	Saraine 3 	C32H52N2O	480.407964	NA	MeJP	NA	NA
+MJ071297	Budmunchiamine C; 9'-Oxo, N-de-Me 	C28H56N4O2	480.440327	NA	MeJP	NA	NA
+MJ071298	18-Hydroxy-7,16-hentriacontanedione 	C31H60O3	480.454245	NA	MeJP	NA	NA
+MJ071299	25-Hydroxy-14,16-hentriacontanedione 	C31H60O3	480.454245	NA	MeJP	NA	NA
+MJ071300	26-Hydroxy-14,16-hentriacontanedione 	C31H60O3	480.454245	NA	MeJP	NA	NA
+MJ071301	5-Hydroxy-14,16-hentriacontanedione 	C31H60O3	480.454245	NA	MeJP	NA	NA
+MJ071302	8-Hydroxy-14,16-hentriacontanedione 	C31H60O3	480.454245	NA	MeJP	NA	NA
+MJ071303	Budmunchiamine C 	C29H60N4O	480.476712	NA	MeJP	NA	NA
+MJ071304	Budmunchiamine L1 	C29H60N4O	480.476712	NA	MeJP	NA	NA
+C13821	1-Hexadecyl hexadecanoate	C32H64O2	480.4906	NA	KEGG	NA	NA
+MJ071305	2,4,6,8-Tetramethyloctacosanoic acid 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071306	25-Hydroxy-3-dotriacontanone 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071307	25-Hydroxy-6-dotriacontanone 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071308	30-Hydroxy-5-dotriacontanone 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071309	32-Hydroxy-4-dotriacontanone 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071310	5-Hydroxy-9-dotriacontanone 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071311	5-Triacontanol; Ac 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071312	7-Hydroxy-2-dotriacontanone 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071313	Anaphalisqualenol 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071314	Dotriacontanoic acid 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071315	Hexadecyl hexadecanoate 	C32H64O2	480.490631	NA	MeJP	NA	NA
+MJ071316	1-Methoxy-2,28-dimethyltriacontane 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071317	1-Methoxy-28-methylhentriacontane 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071318	1-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071319	10-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071320	11-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071321	12-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071322	13-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071323	14-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071324	6-Tritriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+MJ071325	8-Methyl-7-dotriacontanol 	C33H68O	480.527016	NA	MeJP	NA	NA
+3109	adrenocorticotropin hormone fr,: 4-10	MEHFRWG	480.7047	MH2+	Inhouse_peptide	NA	peptide
+3718	NA	PNGLHTRPA	480.74745	MH2+	Inhouse_peptide	NA	peptide
+MJ071326	Botryllamide A 	C19H17Br2NO4	480.952433	NA	MeJP	NA	NA
+C13072	Sodium picosulfate	C18H13NO8S2	480.9878	NA	KEGG	NA	NA
+C13073	Transferred to D01613	C18H13NO8S2	480.9878	NA	KEGG	NA	NA
+C13074	Acetylkitasamycin	C41H64NO16R	480.9878	NA	KEGG	NA	NA
+C13075	Transferred to D01615	C41H64NO16R	480.9878	NA	KEGG	NA	NA
+C13076	Transferred to D01616	C41H64NO16R	480.9878	NA	KEGG	NA	NA
+MetaCyc03681	5-methyl-dCTP [5-methyldeoxycytidine triphosphate;5-methyl-2'-deoxycytidine-5'-triphosphate;5-methyl deoxycytidine-5'-triphosphate;cytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-methyl-;[[[5-[(4-amino-5-methyl-2-oxo-1H-pyrimidin-1-yl)]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxyphosphonic acid;]	C10H18N3O13P3	481.005247	NA	metacyc	NA	NA
+MJ071327	7-[2-(2-Amino-4-thiazolyl)-2-hydroxyiminoacetamido]-8-oxo-3-(1H-pyrazol-4-yl)methylthio-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 	C16H15N7O5S3	481.029678	NA	MeJP	NA	NA
+C15630	T 0901317	C17H12F9NO3S	481.0394	NA	KEGG	NA	NA
+MJ071328	2-Hydroxy-1-methylethyl glucosinolate; Benzoyl 	C17H23NO11S2	481.071251	NA	MeJP	NA	NA
+MJ071329	3-Hydroxypropyl glucosinolate; Benzoyl 	C17H23NO11S2	481.071251	NA	MeJP	NA	NA
+MetaCyc03682	3-benzoyloxypropyl-glucosinolate [glucomalcommin;]	C17H23N1O11S2	481.071252	NA	metacyc	NA	NA
+MJ071330	3-Hydroxy-6-(methylthio)hexyl glucosinolate; S-Oxide 	C14H27NO11S3	481.074622	NA	MeJP	NA	NA
+MJ071331	6-(Methylthio)hexyl glucosinolate; S,S-Dioxide 	C14H27NO11S3	481.074622	NA	MeJP	NA	NA
+FL7AEGGL0003	6-Hydroxydelphinidin 3-glucoside	C21H21O13	481.09821	478693-91-3	knapsack	NA	NA
+MJ071332	N-[[5-[2-(2-Amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]-4-methyl-2-thienyl]carbonyl]glutamic acid 	C19H23N5O6S2	481.108974	NA	MeJP	NA	NA
+PJ002387	GPCCC 	C16H27N5O6S3	481.1124	NA	PeJP	NA	NA
+MJ071333	Yersiniabactin 	C21H27N3O4S3	481.116368	NA	MeJP	NA	NA
+C12038	Yersiniabactin	C21H27N3O4S3	481.1164	NA	KEGG	NA	NA
+MJ071334	Enloplatin 	C13H22N2O5Pt	481.117646	NA	MeJP	NA	NA
+PJ002388	CNDM 	C16H27N5O8S2	481.1301	NA	PeJP	NA	NA
+MJ071335	Talampicillin 	C24H23N3O6S	481.130756	NA	MeJP	NA	NA
+C11751	Talampicillin	C24H23N3O6S	481.1308	NA	KEGG	NA	NA
+MJ071336	Nikkomycin Kx; 5''-Hydroxy 	C19H23N5O10	481.144491	NA	MeJP	NA	NA
+MJ071337	Nikkomycin Kz; 5''-Hydroxy 	C19H23N5O10	481.144491	NA	MeJP	NA	NA
+PJ002389	ACCW 	C20H27N5O5S2	481.1454	NA	PeJP	NA	NA
+PJ002390	GSSCE 	C16H27N5O10S	481.1479	NA	PeJP	NA	NA
+PJ002391	SSCW 	C20H27N5O7S	481.1631	NA	PeJP	NA	NA
+PJ002392	SSSSD 	C16H27N5O12	481.1656	NA	PeJP	NA	NA
+PJ002393	SNMM 	C17H31N5O7S2	481.1665	NA	PeJP	NA	NA
+MJ071338	Carbidium(1+); Ethanesulfonate 	C25H27N3O5S	481.167141	NA	MeJP	NA	NA
+MJ071339	Rosuvastatin 	C22H28FN3O6S	481.168284	NA	MeJP	NA	NA
+MJ071340	Akrobomycin 	C26H27NO8	481.173666	NA	MeJP	NA	NA
+MJ071341	Pranlukast 	C27H23N5O4	481.175004	NA	MeJP	NA	NA
+PJ002394	TCCR 	C16H31N7O6S2	481.1777	NA	PeJP	NA	NA
+PJ002395	GNEY 	C20H27N5O9	481.1809	NA	PeJP	NA	NA
+3089	gluten B4 exorphin	YGGW	481.184	celiac toxic	Inhouse_peptide	NA	peptide
+7930	synthetic peptide	HYY	481.184	antioxidative	Inhouse_peptide	NA	peptide
+7933	synthetic peptide	YHY	481.184	antioxidative	Inhouse_peptide	NA	peptide
+7936	synthetic peptide	YYH	481.184	antioxidative	Inhouse_peptide	NA	peptide
+PJ002396	GSSTM 	C17H31N5O9S	481.1843	NA	PeJP	NA	NA
+MJ071342	Lahadinine A 	C25H27N3O7	481.1849	NA	MeJP	NA	NA
+MJ071343	Picrasidine T 	C28H25N4O4	481.18758	NA	MeJP	NA	NA
+PJ002397	PNDH 	C19H27N7O8	481.1921	NA	PeJP	NA	NA
+PJ002398	NYW 	C24H27N5O6	481.1961	NA	PeJP	NA	NA
+PJ002399	GGYW 	C24H27N5O6	481.1962	NA	PeJP	NA	NA
+PJ002400	GQMF 	C21H31N5O6S	481.1995	NA	PeJP	NA	NA
+PJ002401	SSSTT 	C17H31N5O11	481.202	NA	PeJP	NA	NA
+PJ002402	TCKM 	C18H35N5O6S2	481.2029	NA	PeJP	NA	NA
+MJ071344	4-[3-[4-[Bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]benzoic acid 	C28H29F2NO4	481.206464	NA	MeJP	NA	NA
+MJ071345	8-Methyl-8-azabicyclo[3.2.1]octane-3,6-diol, 3-O-(3,4,5-Trimethoxycinnamoyl), 6-O-benzoyl 	C27H31NO7	481.210052	NA	MeJP	NA	NA
+PJ002403	GCFR 	C20H31N7O5S	481.2108	NA	PeJP	NA	NA
+PJ002404	GDKY 	C21H31N5O8	481.2173	NA	PeJP	NA	NA
+MJ071346	Distamycin A 	C22H27N9O4	481.2186	NA	MeJP	NA	NA
+PJ002405	GSRY 	C20H31N7O7	481.2285	NA	PeJP	NA	NA
+PJ002406	GKMF 	C22H35N5O5S	481.2359	NA	PeJP	NA	NA
+MJ071347	4-(Diphenylacetyl)-?-[(5-quinolinyloxy)methyl]-1-piperazineethanol 	C30H31N3O3	481.236541	NA	MeJP	NA	NA
+MJ071348	Cytochalasin C; 19,20-Epoxide, O-de-Ac 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+MJ071349	Cytochalasin Q; 19?,20?-Epoxide, O-de-Ac 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+MJ071350	Decinnamoyljolkinol B; 3-(3-Pyridinecarbonyl), 15-Ac 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+MJ071351	Engleromycin 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+MJ071352	Lasubine I; 9a-Epimer, O-(3,4-dimethoxycinnamoyl) 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+MJ071353	Lasubine I; O-(3,4-Dimethoxycinnamoyl) 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+MJ071354	Trideacetylpyripyropene A; 7,19-Dideoxy, 3-propanoyl 	C28H35NO6	481.246437	NA	MeJP	NA	NA
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.2498	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.2498	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.2498	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.2498	Wishlist	Inhousejuil11	NA	NA
+C11361	N-Acetylleukotriene E4	C25H39NO6S	481.2498	NA	KEGG	NA	NA
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	HMDB	NA	NA
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	Inhouse_PFEM	NA	NA
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR155	N-acetylleukotriene E4	C25H39NO6S	481.249811	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05084	N-Acetyl-leukotriene E4	C25H39NO6S	481.249817	NA	HMDB2010	NA	NA
+PJ002407	ATKY 	C22H35N5O7	481.2537	NA	PeJP	NA	NA
+MJ071355	Malyngamide F; O-Ac 	C26H40ClNO5	481.259501	NA	MeJP	NA	NA
+PJ002408	PTKH 	C21H35N7O6	481.2649	NA	PeJP	NA	NA
+MJ071356	Antibiotic JI 20A 	C19H39N5O9	481.274777	NA	MeJP	NA	NA
+C17704	Antibiotic JI-20A	C19H39N5O9	481.2748	NA	KEGG	NA	NA
+PJ002409	GLHR 	C20H35N9O5	481.2761	NA	PeJP	NA	NA
+MJ071357	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Me ether 	C29H39NO5	481.282823	NA	MeJP	NA	NA
+MJ071358	Aconosine; 14-Benzoyl 	C29H39NO5	481.282823	NA	MeJP	NA	NA
+MJ071359	Norzoanthamine 	C29H39NO5	481.282823	NA	MeJP	NA	NA
+MJ071360	Stawamycin 	C29H39NO5	481.282823	NA	MeJP	NA	NA
+3818	ileum contracting peptide	PLPR	481.289	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002410	GPPVL 	C23H39N5O6	481.2901	NA	PeJP	NA	NA
+PJ002411	PPLR 	C22H39N7O5	481.3013	NA	PeJP	NA	NA
+MJ071361	Delphatine 	C26H43NO7	481.303952	NA	MeJP	NA	NA
+MJ071362	Deltatsine; O1-Me 	C26H43NO7	481.303952	NA	MeJP	NA	NA
+MJ071363	Deltatsine; O14-Me 	C26H43NO7	481.303952	NA	MeJP	NA	NA
+MJ071364	Deltatsine; O7-Me 	C26H43NO7	481.303952	NA	MeJP	NA	NA
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR596	Lyso PE(18:0)	[M-H]-	481.316825	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR596	Lyso PE(18:0)	[M-H]-	481.316825	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR596	Lyso PE(18:0)	[M-H]-	481.316825	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR596	Lyso PE(18:0)	NA	481.316825	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR596	Lyso PE(18:0)	[M-H]-	481.316825	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR596	Lyso PE(18:0)	NA	481.316825	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10381	LysoPC(15:0)	C23H48NO7P	481.316833	NA	HMDB2010	NA	NA
+HMDB11129	LysoPE(0:0/18:0)	C23H48NO7P	481.316833	NA	HMDB2010	NA	NA
+HMDB11130	LysoPE(18:0/0:0)	C23H48NO7P	481.316833	NA	HMDB2010	NA	NA
+EUR656	Lyso PC 16:0 [M-H-CH3]-	C24H50NO7P	481.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR699	Lyso PE (18:0) monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR734	Lyso PC 15:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR834	Lyso PE 18:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR656	Lyso PC 16:0 [M-H-CH3]-	C24H50NO7P	481.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR699	Lyso PE (18:0) monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR734	Lyso PC 15:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR834	Lyso PE 18:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR656	Lyso PC 16:0 [M-H-CH3]-	C24H50NO7P	481.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR699	Lyso PE (18:0) monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR734	Lyso PC 15:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR834	Lyso PE 18:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR656	Lyso PC 16:0 [M-H-CH3]-	C24H50NO7P	481.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR699	Lyso PE (18:0) monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR734	Lyso PC 15:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR834	Lyso PE 18:0 monoisotopic mass 	C23H48NO7P	481.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR595	Lyso PE(18:0)	[M-H]+	481.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR595	Lyso PE(18:0)	[M-H]+	481.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR595	Lyso PE(18:0)	[M-H]+	481.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR595	Lyso PE(18:0)	NA	481.316875	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR595	Lyso PE(18:0)	[M-H]+	481.316875	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR595	Lyso PE(18:0)	NA	481.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR531	18 :0 Lyso PE F1	NA	481.317525	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ071365	Sevopramide 	C29H43N3O3	481.330442	NA	MeJP	NA	NA
+MJ071366	Amphiasterin C1; 4'',5''-Dihydro 	C27H47NO6	481.340338	NA	MeJP	NA	NA
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	HMDB	NA	NA
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	HMDB	NA	NA
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	Inhouse_PFEM	NA	NA
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	Inhouse_PFEM	NA	NA
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	Inhousejuil11	NA	NA
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	Inhousejuil11	NA	NA
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER079	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	NA	PFEM_hmdb_metabocards_official	NA	NA
+LABER092	Palmityl-rac-glycero-3-phosphocholine	NA	481.351985	RT 30.09 	PFEM_hmdb_metabocards_official	NA	NA
+C13903	1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	C24H52NO6P	481.3532	NA	KEGG	NA	NA
+C13904	Transferred to D02157	C24H52NO6P	481.3532	NA	KEGG	NA	NA
+C13905	Transferred to D02158	C24H52NO6P	481.3532	NA	KEGG	NA	NA
+MJ071367	Rhodopeptin; Rhodopeptin C1 	C25H47N5O4	481.362805	NA	MeJP	NA	NA
+HMDB04947	Ceramide (d18:1/12:0)	C30H59NO3	481.44949	http://www.hmdb.ca/metabolites/HMDB04947	HMDB	NA	NA
+HMDB04947	Ceramide (d18:1/12:0)	C30H59NO3	481.44949	HMDB04947	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04947	Ceramide (d18:1/12:0)	C30H59NO3	481.449493	NA	HMDB2010	NA	NA
+C18204	2,2',4,5'-Tetrabromodiphenyl ether	C12H6Br4O	481.7152	NA	KEGG	NA	NA
+C18205	2,2',4,4'-Tetrabromodiphenyl ether	C12H6Br4O	481.7152	NA	KEGG	NA	NA
+MJ071368	Vidalol A 	C13H9Br3O5	481.800011	NA	MeJP	NA	NA
+MJ071369	Ambigol A 	C18H8Cl6O3	481.86046	NA	MeJP	NA	NA
+MJ071370	Ambigol B 	C18H8Cl6O3	481.86046	NA	MeJP	NA	NA
+HMDB01342	Thymidine 5'-triphosphate	C10H17N2O14P3	481.989258	NA	HMDB2010	NA	NA
+HMDB01342	Thymidine 5'-triphosphate	C10H17N2O14P3	481.98926	http://www.hmdb.ca/metabolites/HMDB01342	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01342	Thymidine 5'-triphosphate	C10H17N2O14P3	481.98926	http://www.hmdb.ca/metabolites/HMDB01342	HMDB	NA	NA
+HMDB01342	Thymidine 5'-triphosphate	C10H17N2O14P3	481.98926	http://www.hmdb.ca/metabolites/HMDB01342	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01342	Thymidine 5'-triphosphate	C10H17N2O14P3	481.98926	HMDB01342	PFEM_hmdb_metabocards_official	NA	NA
+MJ071371	dTTP 	C10H17N2O14P3	481.989262	NA	MeJP	NA	NA
+MetaCyc03683	dTTP [thymidine triphosphate;thymidine 5'-triphosphate;TTP;]	C10H17N2O14P3	481.989263	365-08-2	metacyc	NA	NA
+C00459	dTTP	C10H17N2O14P3	481.9893	NA	KEGG	NA	NA
+MJ071372	Lentinic acid 	C12H22N2O10S4	482.015727	NA	MeJP	NA	NA
+MJ071373	Triumbellatin 	C27H14O9	482.063782	NA	MeJP	NA	NA
+MJ071374	2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form 	C20H18O14	482.069655	NA	MeJP	NA	NA
+MJ071375	4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form 	C20H18O14	482.069655	NA	MeJP	NA	NA
+MJ071376	Falconensin A 	C23H24Cl2O7	482.089908	NA	MeJP	NA	NA
+MJ071377	2',4',6'-Trihydroxyacetophenone; 2'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071378	2',4',6'-Trihydroxyacetophenone; 4'-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071379	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071380	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071381	3,3',4',5,5',7-Hexahydroxyflavanone, 3'-O-?-D-Glucopyranoside 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071382	3,3',4',5,5',7-Hexahydroxyflavanone, 4'-O-?-D-Glucopyranoside 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071383	3,3',4',5,5',7-Hexahydroxyflavanone, 7-O-?-D-Glucopyranoside 	C21H22O13	482.10604	NA	MeJP	NA	NA
+MJ071384	?,2',3,3',4,4',6-Heptahydroxychalcone; 2'-O-?-D-Glucopyranoside 	C21H22O13	482.10604	NA	MeJP	NA	NA
+FL1CHXGS0001	3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside	C21H22O13	482.10604	-	knapsack	NA	NA
+FL4DAGGS0002	Ampelopsin 7-glucoside	C21H22O13	482.10604	87314-54-3	knapsack	NA	NA
+FL4DAGGS0003	Ampelopsin 3'-glucoside	C21H22O13	482.10604	82181-87-1	knapsack	NA	NA
+PJ002412	CDDM 	C16H26N4O9S2	482.1141	NA	PeJP	NA	NA
+FL4DACNN0001	Silybin	C25H22O10	482.12129	22888-70-6	knapsack	NA	NA
+FL4DACNN0002	Silychristin	C25H22O10	482.12129	33889-69-9	knapsack	NA	NA
+FL4DACNN0003	Isosilybin	C25H22O10	482.12129	72581-71-6	knapsack	NA	NA
+FL4DACNN0004	Isosilychristin	C25H22O10	482.12129	77182-66-2	knapsack	NA	NA
+FL4DQUNN0001	Silydianin	C25H22O10	482.12129	29782-68-1	knapsack	NA	NA
+MJ071385	Cadensin A; 10-Hydroxy, 4'-O-de-Me, 3',8-di-Me ether 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071386	Cadensin A; 5'-Methoxy, 4'-O-de-Me, 3'-Me ether 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071387	Cadensin A; 6'-Methoxy 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071388	Gyrophoric acid; 2''-Me ether 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071389	Gyrophoric acid; 2'-Me ether 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071390	Gyrophoric acid; 2-Me ether 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071391	Gyrophoric acid; 4-Me ether 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071392	Gyrophoric acid; Me ester 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071393	Isosilybin 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071394	Isosilychristin 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071395	Silybin 	C25H22O10	482.121296	NA	MeJP	NA	NA
+MJ071396	Silychristin 	C25H22O10	482.121296	NA	MeJP	NA	NA
+C07610	Silymarin	C25H22O10	482.1213	NA	KEGG	NA	NA
+C08717	Silychristin	C25H22O10	482.1213	NA	KEGG	NA	NA
+C16808	Isosilybin	C25H22O10	482.1213	NA	KEGG	NA	NA
+PJ002413	GSCCN 	C15H26N6O8S2	482.1254	NA	PeJP	NA	NA
+MJ071397	Kinamycin F; 4-O-(2-Methylpropanoyl), 2-Ac 	C24H22N2O9	482.13253	NA	MeJP	NA	NA
+C09775	Catalposide	C22H26O12	482.1424	NA	KEGG	NA	NA
+MJ071398	3,3',4',5,5',7-Hexahydroxyflavan, 4'-Me ether, 5-O-?-D-glucopyranoside 	C22H26O12	482.142426	NA	MeJP	NA	NA
+MJ071399	3,3',4',5,5',7-Hexahydroxyflavan, 4'-Me ether, 3'-O-?-D-glucopyranoside 	C22H26O12	482.142426	NA	MeJP	NA	NA
+MJ071400	3,3',4,4',5,7-Hexahydroxyflavan, 4'-Me ether, 3-O-?-D-galactopyranoside 	C22H26O12	482.142426	NA	MeJP	NA	NA
+MJ071401	Catalpol; 6-O-(4-Hydroxybenzoyl) 	C22H26O12	482.142426	NA	MeJP	NA	NA
+MJ071402	Obtusaside 	C22H26O12	482.142426	NA	MeJP	NA	NA
+PJ002414	SDMM 	C17H30N4O8S2	482.1505	NA	PeJP	NA	NA
+MJ071403	Dukunolide A 	C26H26O9	482.157682	NA	MeJP	NA	NA
+MJ071404	Gilvocarcin M 	C26H26O9	482.157682	NA	MeJP	NA	NA
+MJ071405	Antibiotic TAN 1030A; 7?-Hydroxy 	C27H22N4O5	482.159019	NA	MeJP	NA	NA
+MJ071406	Staurosporine; 4'-De(methylamino), 4'?-nitro 	C27H22N4O5	482.159019	NA	MeJP	NA	NA
+C14129	SSR 125543	C27H28ClFN2OS	482.1595	NA	KEGG	NA	NA
+PJ002415	GDEY 	C20H26N4O10	482.1649	NA	PeJP	NA	NA
+MJ071407	15-Bromo-9(11)-parguerene-2,7,16-triol, 2,16-Di-Ac 	C24H35BrO5	482.166786	NA	MeJP	NA	NA
+MJ071408	15-Bromo-9(11)-parguerene-2,7,16-triol, 2,7-Di-Ac 	C24H35BrO5	482.166786	NA	MeJP	NA	NA
+PJ002416	AMMM 	C18H34N4O5S3	482.1692	NA	PeJP	NA	NA
+PJ002417	SCHH 	C18H26N8O6S	482.1696	NA	PeJP	NA	NA
+MJ071409	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 2,9-Di-Ac 	C24H31ClO8	482.170745	NA	MeJP	NA	NA
+MJ071410	6-Chloro-4,8-epoxy-2,9,14-trihydroxy-5(16),11-briaradien-18,7-olide; 2,14-Di-Ac 	C24H31ClO8	482.170745	NA	MeJP	NA	NA
+MJ071411	7-Protoilludene-1,5,6,9,14-pentol, 14-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H31ClO8	482.170745	NA	MeJP	NA	NA
+MJ071412	7-Protoilludene-1,5,6,9,14-pentol, 5-(3-Chloro-6-hydroxy-4-methoxy-2-methylbenzoyl) 	C24H31ClO8	482.170745	NA	MeJP	NA	NA
+MJ071413	Blestrianol A 	C30H26O6	482.172938	NA	MeJP	NA	NA
+MJ071414	Blestriarene C; 9,9',10,10'-Tetrahydro 	C30H26O6	482.172938	NA	MeJP	NA	NA
+MJ071415	Blestrin A 	C30H26O6	482.172938	NA	MeJP	NA	NA
+MJ071416	Blestrin B 	C30H26O6	482.172938	NA	MeJP	NA	NA
+MJ071417	Dichamanetin, 5-Me ether 	C30H26O6	482.172938	NA	MeJP	NA	NA
+MJ071418	Palodesangrens; Palodesangren C 	C30H26O6	482.172938	NA	MeJP	NA	NA
+MJ071419	Palodesangrens; Palodesangren D 	C30H26O6	482.172938	NA	MeJP	NA	NA
+PJ002418	PDDH 	C19H26N6O9	482.1762	NA	PeJP	NA	NA
+MJ071420	1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, 1-O-?-D-Glucopyranoside 	C23H30O11	482.178811	NA	MeJP	NA	NA
+MJ071421	1,4-Naphthalenediol; Mono-Me ether, O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C23H30O11	482.178811	NA	MeJP	NA	NA
+MJ071422	1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,5'-Tri-Me ether, 2-O-?-D-glucopyranoside 	C23H30O11	482.178811	NA	MeJP	NA	NA
+MJ071423	Ajugol; 6-O-(4-Methoxybenzoyl) 	C23H30O11	482.178811	NA	MeJP	NA	NA
+MJ071424	Urceolatoside D 	C23H30O11	482.178811	NA	MeJP	NA	NA
+PJ002419	DYW 	C24H26N4O7	482.1802	NA	PeJP	NA	NA
+PJ002420	PTCY 	C21H30N4O7S	482.1835	NA	PeJP	NA	NA
+PJ002421	TTMM 	C18H34N4O7S2	482.1869	NA	PeJP	NA	NA
+C12666	Prednisolone sodium succinate	C25H31O8	482.1917	NA	KEGG	NA	NA
+MJ071425	1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide, 8-(2R,3S-Epoxy-2-methylbutanoyl), 3-benzoyl 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071426	Abyssinin 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071427	Daphnetoxin 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071428	Deacylinteriorin; 7-Angeloyl 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071429	Gomisin R; Angeloyl 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071430	Heteroclitin E; 10-Deoxy 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071431	Oriciopsin; 5,6-Didehydro 	C27H30O8	482.194067	NA	MeJP	NA	NA
+MJ071432	Steganolide B 	C27H30O8	482.194067	NA	MeJP	NA	NA
+C09080	Daphnetoxin	C27H30O8	482.1941	NA	KEGG	NA	NA
+MJ071433	Staurosporine; 11-Hydroxy 	C28H26N4O4	482.195405	NA	MeJP	NA	NA
+MJ071434	Staurosporine; 4'-N-Hydroxy 	C28H26N4O4	482.195405	NA	MeJP	NA	NA
+MJ071435	Staurosporine; 5'?-Hydroxy 	C28H26N4O4	482.195405	NA	MeJP	NA	NA
+MJ071436	Staurosporine; 7-Hydroxy 	C28H26N4O4	482.195405	NA	MeJP	NA	NA
+MJ071437	3,11,14-Trihydroxybufa-20,22-dienolide, 3-Sulfate 	C24H34O8S	482.197438	NA	MeJP	NA	NA
+PJ002422	MFW 	C25H30N4O4S	482.1988	NA	PeJP	NA	NA
+MJ071438	Marounoside 	C20H34O13	482.199941	NA	MeJP	NA	NA
+PJ002423	ATEY 	C21H30N4O9	482.2013	NA	PeJP	NA	NA
+MJ071439	Routiennocin 	C26H30N2O7	482.205301	NA	MeJP	NA	NA
+PJ002424	PTEH 	C20H30N6O8	482.2125	NA	PeJP	NA	NA
+MJ071440	1-[4-[2-Hydroxy-1-(hydroxymethyl)ethoxy]-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 3'-Methoxy 	C24H34O10	482.215197	NA	MeJP	NA	NA
+MJ071441	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[8-Hydroxy-2,6-dimethyl-2E,6E-octadienoyl-(?6)-?-D-glucopyranoside] 	C24H34O10	482.215197	NA	MeJP	NA	NA
+MJ071442	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3,14-Di-Ac 	C24H34O10	482.215197	NA	MeJP	NA	NA
+MJ071443	T2 Toxin; 3'-Hydroxy 	C24H34O10	482.215197	NA	MeJP	NA	NA
+PJ002425	GPFY 	C25H30N4O6	482.2166	NA	PeJP	NA	NA
+PJ002426	GLMY 	C22H34N4O6S	482.2199	NA	PeJP	NA	NA
+MJ071444	Melicobisquinolinone A 	C30H30N2O4	482.220557	NA	MeJP	NA	NA
+MJ071445	Paraensidimerine A 	C30H30N2O4	482.220557	NA	MeJP	NA	NA
+MJ071446	Paraensidimerine B; 1'-Dehydro, 2'-Deoxy 	C30H30N2O4	482.220557	NA	MeJP	NA	NA
+MJ071447	Pteledimeridine 	C30H30N2O4	482.220557	NA	MeJP	NA	NA
+MJ071448	Pteledimerine 	C30H30N2O4	482.220557	NA	MeJP	NA	NA
+MJ071449	Sagandipine 	C27H31FN2O5	482.2217	NA	MeJP	NA	NA
+PJ002427	AQQH 	C19H30N8O7	482.2238	NA	PeJP	NA	NA
+MJ071450	6-Acetoxy-14,15-epoxy-3,11-dihydroxymeliaca-1,5-dien-7-one 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071451	Cedrelone; 11?-Acetoxy, 1,2-dihydro 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071452	Dulciol B; 2',3'-Dihydro, 3'-hydroxy 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071453	Gedunin 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071454	Glechonin A; 10,10'-Dideacetyl, 10,10'-bis(2-methylpropanoyl) 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071455	Macrocarpin B 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071456	Nimbinene 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071457	Nimbocinol; 1?,2?:14?,15?-Diepoxide, Ac 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071458	Nimolicinol 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071459	Proceranone; 14?,15?-Epoxide 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071460	Subelliptenone E 	C28H34O7	482.230453	NA	MeJP	NA	NA
+MJ071461	Withaphysalin E 	C28H34O7	482.230453	NA	MeJP	NA	NA
+2649	synthetic fr, of human beta-CN (190-197) ACE inhibitor	NPPHQIYP	482.23095	MH2+	Inhouse_peptide	NA	peptide
+PJ002428	PVMH 	C21H34N6O5S	482.2312	NA	PeJP	NA	NA
+MJ071462	Okaramine M 	C29H30N4O3	482.23179	NA	MeJP	NA	NA
+PJ002429	GNHR 	C18H30N10O6	482.235	NA	PeJP	NA	NA
+PJ002430	STLY 	C22H34N4O8	482.2377	NA	PeJP	NA	NA
+MJ071463	Discodermide 	C27H34N2O6	482.241686	NA	MeJP	NA	NA
+MJ071464	Tectol; 3,3',4,4'-Tetrahydro, 6,6'-di-Me ether 	C32H34O4	482.245709	NA	MeJP	NA	NA
+3041	inhibitor of fibrinogen and thrombin coagulation	GPRGP	482.247	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002431	VVEH 	C21H34N6O7	482.2489	NA	PeJP	NA	NA
+MJ071465	2,6,18-Trihydroxy-8,13-labdadien-15,16-olide, 6-O-?-L-Arabinopyranoside 	C25H38O9	482.251582	NA	MeJP	NA	NA
+MJ071466	6,17,18-Trihydroxy-8,13-labdadien-15,16-olide; 6?-form, 6-O-?-L-Arabinopyranoside 	C25H38O9	482.251582	NA	MeJP	NA	NA
+HMDB10351	11-beta-hydroxyandrosterone-3-glucuronide	C25H38O9	482.251587	NA	HMDB2010	NA	NA
+CJneg0623	Testosterone glucuronide isomer [(M-H)+(H2O)]-	C25H37O9	482.252125	C18rt(min)=7.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0623	Testosterone glucuronide isomer [(M-H)+(H2O)]-	C25H37O9	482.252125	C18rt(min)=7.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002432	GLFF 	C26H34N4O5	482.2529	NA	PeJP	NA	NA
+MJ071467	Gentamicin A1; 6'-Me 	C19H38N4O10	482.258793	NA	MeJP	NA	NA
+MJ071468	Gentamicin A; 6'-Me 	C19H38N4O10	482.258793	NA	MeJP	NA	NA
+MJ071469	Gentamicin B 	C19H38N4O10	482.258793	NA	MeJP	NA	NA
+MJ071470	Gentamicin X2 	C19H38N4O10	482.258793	NA	MeJP	NA	NA
+C17702	Gentamicin X2	C19H38N4O10	482.2588	NA	KEGG	NA	NA
+PJ002433	PPNR 	C20H34N8O6	482.2602	NA	PeJP	NA	NA
+2894	neuropeptide from eyestalk of Macrobrachium rosenb	NRNFLRF~	482.2619	MH2+	Inhouse_peptide	NA	peptide
+MJ071471	18,20-Epoxy-4,18-dihydroxy-1-oxowitha-2,5,24-trienolide, 18-Me ether 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071472	2,3,22,23-Tetrahydroxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione; 22?-form, 3-Me ether 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071473	2,3,7-Trihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071474	Euphoractine A 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071475	Euphoractine F 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071476	Jaspiferal A; 3-Ac 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071477	O-(3,8-Dihydroxydriman-11-yl)umbelliferone, 3'-O-Angeloyl 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071478	horactine B 	C29H38O6	482.266838	NA	MeJP	NA	NA
+MJ071479	Ceridimine; N-De-Me 	C30H34N4O2	482.268176	NA	MeJP	NA	NA
+MJ071480	Strychnobaridine 	C30H34N4O2	482.268176	NA	MeJP	NA	NA
+MJ071481	Strychnofoline 	C30H34N4O2	482.268176	NA	MeJP	NA	NA
+MJ071482	Usambarensine; 6',10-Dihydroxy, 1'S,2,3,4-tetrahydro, N2'-Me 	C30H34N4O2	482.268176	NA	MeJP	NA	NA
+MJ071483	Usambarensine; 6'-Methoxy, 10-hydroxy, 1'S,2,3,4-tetrahydro 	C30H34N4O2	482.268176	NA	MeJP	NA	NA
+MJ071484	6-Bromo-5,9,24-heptacosatrienoic acid 	C27H47BrO2	482.275943	NA	MeJP	NA	NA
+MJ071485	Cilobradine 	C28H38N2O5	482.278072	NA	MeJP	NA	NA
+MJ071486	Hennoxazole F 	C28H38N2O5	482.278072	NA	MeJP	NA	NA
+PJ002434	TLLH 	C22H38N6O6	482.2853	NA	PeJP	NA	NA
+MJ071487	10(20)-Grayanotoxene-3,5,16-triol, 3-O-?-D-Glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071488	16-Kaurene-2,14,15-triol, 2-O-?-D-Glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071489	16-Kaurene-2,6,15-triol, 2-O-?-D-Glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071490	16-Kaurene-6,15,20-triol, 6-O-?-D-Glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071491	17,19-Kauranediol, 19-Carboxylic acid, 17-O-?-D-glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071492	3,16,17-Kauranetriol, 3-Ketone,17-?-D-glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071493	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl) 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071494	3-(13-Carboxy-14,15-dihydroxyhexadecyl)-5-methyl-2(5H)-furanone; Di-Ac 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071495	6,15-Dihydroxy-8(17)-labden-19-oic acid, 19?6-Lactone, 15-O-?-D-glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071496	7,15-Isopimaradiene-2,3,19-triol, 19-?-D-Altropyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071497	7-Pimarene-3,15,16-triol, 3-Ketone, 16-O-?-D-glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071498	8,13-Labdadiene-15,17,19-triol, 17-Aldehyde, 19-O-?-D-glucopyranoside 	C26H42O8	482.287968	NA	MeJP	NA	NA
+MJ071499	Fusicoccin H 	C26H42O8	482.287968	NA	MeJP	NA	NA
+C09093	Fusicoccin H	C26H42O8	482.288	NA	KEGG	NA	NA
+MJ071500	Chaetoglobosin J; 19-Deoxy, 20-deoxo 	C32H38N2O2	482.293328	NA	MeJP	NA	NA
+PJ002435	AKKH 	C21H38N8O5	482.2965	NA	PeJP	NA	NA
+MJ071501	15,24-Dihydroxy-1,12-oleanadiene-3,11,22-trione; 15?-form 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071502	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-Ketone 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071503	23-Oxo-3,4-seco-4(28),6,8(14),24-mariesatetraene-3,26-dioic acid; 24Z-form 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071504	24-Hydroxy-A(1)-nor-2,20(29)-lupadien-27,18-olid-28-oic acid; 18?-form, Me ester 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071505	7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, 7-Ketone, Me ester 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071506	Abiesonic acid 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071507	Blepharodol 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071508	Coronalolide 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071509	Emecorrugatin A 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071510	Kadsulactone A 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071511	Muscicolide A 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071512	Pulidysenterin 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071513	Salvadione B 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071514	Salvatrione 	C30H42O5	482.303224	NA	MeJP	NA	NA
+MJ071515	2,3,11,14,20,22-Hexahydroxycholestan-6-one 	C27H46O7	482.324353	NA	MeJP	NA	NA
+MJ071516	2,3,4,6,11,19-Hexahydroxy-9,11-secocholest-22-en-9-one 	C27H46O7	482.324353	NA	MeJP	NA	NA
+MJ071517	Cholest-7-ene-2,3,5,6,9,11,19-heptol 	C27H46O7	482.324353	NA	MeJP	NA	NA
+MJ071518	22-Hydroxy-23-methylene-3-oxodammara-20,24-dien-26-oic acid 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071519	3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-formyl 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071520	3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ketone 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071521	3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone, 19-Me ether 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071522	3,23-Dioxo-24-methylenelanost-8-en-26-oic acid 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071523	3-Hydroxy-23-oxo-7,14,24-mariesiatrien-26-oic acid, 3-Me ether 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071524	Adlupone 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071525	Anguinomycin C 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071526	Diacarnoic acid B; 7-Deoxo, benzyl ester 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071527	Juruenolide B 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071528	Muqubilin, Benzyl ester 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071529	Poricoic acid C 	C31H46O4	482.339609	NA	MeJP	NA	NA
+MJ071530	Complanadine A 	C32H42N4	482.340947	NA	MeJP	NA	NA
+MJ071531	3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-benzoyl 	C30H46N2O3	482.350843	NA	MeJP	NA	NA
+MJ071532	Ergostane-3,5,6,15,16,26-hexol 	C28H50O6	482.360739	NA	MeJP	NA	NA
+MJ071533	Ergostane-3,6,8,15,16,26-hexol 	C28H50O6	482.360739	NA	MeJP	NA	NA
+MJ071534	Sekothrixide 	C28H50O6	482.360739	NA	MeJP	NA	NA
+MJ071535	11,12-Epoxy-14-taraxeren-3-ol, Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071536	12,18-Taraxastadiene-3,28-diol, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071537	12-Oleanene-3,11-diol, 11-Ketone, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071538	12-Oleanene-3,28-diol, 28-Aldehyde, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071539	12-Ursene-3,11-diol, 3-Ketone, Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071540	12-Ursene-3,28-diol, 28-Aldehyde, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071541	14-Taraxerene-3,29-diol, 3-Ketone, 29-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071542	16,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071543	17,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071544	18-Oleanene-3,28-diol, 28-Aldehyde, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071545	20(29)-Lupene-3,28-diol, 28-O-Aldehyde, Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071546	20-Taraxastene-3,22-diol, 22-Ketone, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071547	21,23-Epoxytirucalla-7,24-dien-3-ol, Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071548	22-Hydroxy-12-hopen-15-one; Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071549	27(14?13)-Abeo-3-hydroxy-14-ursen-16-one, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071550	3-Hydroxy-20-taraxasten-30-al, Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071551	3-Hydroxylanosta-8,24-dien-11-one, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071552	9(11),12-Oleanadiene-3,6-diol, 3-Ac 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071553	Marsformoxide A 	C32H50O3	482.375995	NA	MeJP	NA	NA
+MJ071554	12-Ursen-3-ol, Propanoyl 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071555	2,6,10-Farnesatrien-1-ol, 9,12,15-Octadecatrienoyl 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071556	24-Methylcycloart-25-en-3-ol, Ac 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071557	24-Methyldammara-20,25-dien-3-ol, Ac 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071558	24-Methylenecycloartan-3-ol, Ac 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071559	24-Methylenelanost-8-en-3-ol, Ac 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071560	34,35-Dinor-6,11-bacteriohopadiene-32,33-diol 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071561	Cyclosadol; Ac 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071562	Stigmasta-5,25-dien-3-ol, 3-Butanoyl 	C33H54O2	482.41238	NA	MeJP	NA	NA
+MJ071563	Arenosclerin A 	C32H54N2O	482.423614	NA	MeJP	NA	NA
+MJ071564	Tryptamine; Nb-Docosanoyl 	C32H54N2O	482.423614	NA	MeJP	NA	NA
+MJ071565	13,14-Dimethyloctacosanedioic acid 	C30H58O4	482.43351	NA	MeJP	NA	NA
+MJ071566	14-Methylnonacosanedioic acid 	C30H58O4	482.43351	NA	MeJP	NA	NA
+MJ071567	Triacontanedioic acid 	C30H58O4	482.43351	NA	MeJP	NA	NA
+MJ071568	2,3,7,10,15,18,22,23-Octamethyl-6,19-dimethylene-1,10,14,23-tetracosatetraene; 10,11-Epoxide 	C34H58O	482.448766	NA	MeJP	NA	NA
+MJ071569	23-Ethyl-24-methylenecycloartan-3-ol, Me ether 	C34H58O	482.448766	NA	MeJP	NA	NA
+MJ071570	23-Isopropyl-24-methylcycloart-25-en-3-ol 	C34H58O	482.448766	NA	MeJP	NA	NA
+MJ071571	25-Ethyl-24-methylenelanost-9(11)-en-3-ol; Me ether 	C34H58O	482.448766	NA	MeJP	NA	NA
+MJ071572	Clausenol; Me ether 	C34H58O	482.448766	NA	MeJP	NA	NA
+MJ071573	6,8-Dotriacontanediol 	C32H66O2	482.506281	NA	MeJP	NA	NA
+MJ071574	7,9-Dotriacontanediol 	C32H66O2	482.506281	NA	MeJP	NA	NA
+7757	antioxidant from grass carp muscle	PSKYEPFV	482.7355	MH2+	Inhouse_peptide	NA	peptide
+8126	peptide derived from grass carp muscle (Ctenopharyngodon idellus)	PSKYEPFV	482.7355	MH2+	Inhouse_peptide	NA	peptide
+2895	neuropeptide from eyestalk of Macrobrachium rosenb	DRNFLRF~	482.7539	MH2+	Inhouse_peptide	NA	peptide
+HMDB00082	Cytidine triphosphate	C9H16N3O14P3	482.984497	NA	HMDB2010	NA	NA
+HMDB00082	Cytidine triphosphate	C9H16N3O14P3	482.9845	http://www.hmdb.ca/metabolites/HMDB00082	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00082	Cytidine triphosphate	C9H16N3O14P3	482.9845	http://www.hmdb.ca/metabolites/HMDB00082	HMDB	NA	NA
+C00063	CTP	C9H16N3O14P3	482.9845	NA	KEGG	NA	NA
+HMDB00082	Cytidine triphosphate	C9H16N3O14P3	482.9845	http://www.hmdb.ca/metabolites/HMDB00082	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00082	Cytidine triphosphate	C9H16N3O14P3	482.9845	HMDB00082	PFEM_hmdb_metabocards_official	NA	NA
+MJ071575	Cytidine 5'-triphosphate 	C9H16N3O14P3	482.984511	NA	MeJP	NA	NA
+MJ071576	CTP 	C9H16N3O14P3	482.984511	NA	MeJP	NA	NA
+MetaCyc03684	CTP [cytidine-triphosphate;cytidine-5'-triphosphate;]	C9H16N3O14P3	482.984512	65-47-4	metacyc	NA	NA
+C04832	Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide	C13H26NO10PS3	483.0456	NA	KEGG	NA	NA
+C04833	m7G(5')pppm6Am (mRNA containing an N6,2'-O-dimethyladenosine cap)	C28H42N10O23P4R	483.0456	NA	KEGG	NA	NA
+MetaCyc03685	CoB-CoM heterodisulfide [CoB-S-S-CoM;Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide;Coenzyme M-HTP heterodisulfide;N-{7-[(2-sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine;]	C13H26N1O10P1S3	483.045645	NA	metacyc	NA	NA
+MJ071577	3-Hydroxy-5-(methylthio)pentyl glucosinolate; S,S-Dioxide 	C13H25NO12S3	483.053887	NA	MeJP	NA	NA
+C04030	(2,3-Dihydroxybenzoyl)adenylate	C17H18N5O10P	483.0791	NA	KEGG	NA	NA
+C04031	(3S)-3-Hydroxyacyl-hydrolipoate	C10H17O4S2R	483.0791	NA	KEGG	NA	NA
+MJ071578	(2,3-Dihydroxybenzoyl)adenylate 	C17H18N5O10P	483.079128	NA	MeJP	NA	NA
+MetaCyc03686	2,3-dihydroxybenzoyl-AMP [2,3-dihydroxybenzoyl adenylate;]	C17H18N5O10P1	483.079128	NA	metacyc	NA	NA
+MetaCyc03687	(2,3-dihydroxybenzoyl)adenylate []	C17H18N5O10P1	483.079128	NA	metacyc	NA	NA
+MJ071579	Glucose 3-nitropropanoates; 1,2,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071580	Glucose 3-nitropropanoates; 1,2,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071581	Glucose 3-nitropropanoates; 1,3,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071582	Glucose 3-nitropropanoates; 1,4,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071583	Glucose 3-nitropropanoates; 2,3,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071584	Glucose 3-nitropropanoates; 3,4,6-Tris-(3-nitropropanoyl)-?-D-glucopyranose 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071585	Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (10) 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071586	Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (11) 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071587	Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (7) 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071588	Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (8) 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+MJ071589	Glucose 3-nitropropanoates; Tris-(3-nitropropanoyl)-D-glucose (9) 	C15H21N3O15	483.097267	NA	MeJP	NA	NA
+C08495	Karakin	C15H21N3O15	483.0973	NA	KEGG	NA	NA
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR300	Gluthation oxyde F2	NA	483.101975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR300	Gluthation oxyde F2	NA	483.101975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR300	Gluthation oxyde F2	NA	483.101975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR300	Gluthation oxyde F2	NA	483.101975	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR300	Glutathione oxidized F2	F2	483.101975	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ002436	GSCCD 	C15H25N5O9S2	483.1094	NA	PeJP	NA	NA
+MJ071590	Nicergoline 	C24H26BrN3O3	483.115754	NA	MeJP	NA	NA
+PJ002437	CCQM 	C16H29N5O6S3	483.128	NA	PeJP	NA	NA
+MJ071591	Urochordamine A 	C22H26BrN7O	483.138221	NA	MeJP	NA	NA
+PJ002438	CCCR 	C15H29N7O5S3	483.1393	NA	PeJP	NA	NA
+PJ002439	GSSCM 	C16H29N5O8S2	483.1458	NA	PeJP	NA	NA
+MJ071592	Amrubicin 	C25H25NO9	483.152931	NA	MeJP	NA	NA
+PJ002440	SSSTC 	C16H29N5O10S	483.1635	NA	PeJP	NA	NA
+PJ002441	CCKM 	C17H33N5O5S3	483.1644	NA	PeJP	NA	NA
+MJ071593	Acrimarine A; O5,O6-Didemethoxy 	C29H25NO6	483.168187	NA	MeJP	NA	NA
+PJ002442	GNMY 	C20H29N5O7S	483.1788	NA	PeJP	NA	NA
+MJ071594	Carminomycin I; 11-Deoxy, 13-deoxo 	C26H29NO8	483.189316	NA	MeJP	NA	NA
+PJ002443	PCQH 	C19H29N7O6S	483.19	NA	PeJP	NA	NA
+PJ002444	SSQY 	C20H29N5O9	483.1965	NA	PeJP	NA	NA
+MJ071595	Oberadilol 	C25H30ClN5O3	483.203717	NA	MeJP	NA	NA
+MJ071596	2-Amino-2-deoxy-?-D-mannopyranuronosyl-(1?4)-2-amino-2-deoxy-?-L-fucopyranosyl-(1?3)-2-amino-2-deoxy-L-fucose 	C18H33N3O12	483.206423	NA	MeJP	NA	NA
+MJ071597	2-Amino-2-deoxy-?-D-mannopyranuronosyl-(1?4)-2-amino-2-deoxy-?-L-fucopyranosyl-(1?3)-2-amino-2-deoxy-L-fucose 	C18H33N3O12	483.206423	NA	MeJP	NA	NA
+PJ002445	AQEH 	C19H29N7O8	483.2078	NA	PeJP	NA	NA
+MJ071598	Onetine; O12,O20-Di-Ac 	C23H33NO10	483.210446	NA	MeJP	NA	NA
+PJ002446	GNFF 	C24H29N5O6	483.2118	NA	PeJP	NA	NA
+PJ002447	ACKY 	C21H33N5O6S	483.2152	NA	PeJP	NA	NA
+PJ002448	GDHR 	C18H29N9O7	483.219	NA	PeJP	NA	NA
+PJ002449	AAHW 	C23H29N7O5	483.223	NA	PeJP	NA	NA
+PJ002450	PCKH 	C20H33N7O5S	483.2264	NA	PeJP	NA	NA
+PJ002451	SSKY 	C21H33N5O8	483.2329	NA	PeJP	NA	NA
+MJ071599	Ecastolol 	C26H33N3O6	483.236935	NA	MeJP	NA	NA
+MJ071600	N1,N10-Dicoumaroylspermidine; 3' or 3''-Hydroxy, 3'' or 3'-methoxy 	C26H33N3O6	483.236935	NA	MeJP	NA	NA
+MJ071601	Spermidine; N-(3,4-Dihydroxycinnamoyl), N''-(4-hydroxy-3-methoxycinnamoyl) 	C26H33N3O6	483.236935	NA	MeJP	NA	NA
+MJ071602	Barmastine 	C27H29N7O2	483.238273	NA	MeJP	NA	NA
+MJ071603	Antibiotic K 144e 	C19H37N3O11	483.242809	NA	MeJP	NA	NA
+PJ002452	PPDR 	C20H33N7O7	483.2442	NA	PeJP	NA	NA
+MJ071604	Ropitoin 	C30H33N3O3	483.252191	NA	MeJP	NA	NA
+C00825	Kanamycin B	C18H37N5O10	483.254	NA	KEGG	NA	NA
+MJ071605	Kanamycin B 	C18H37N5O10	483.254042	NA	MeJP	NA	NA
+MetaCyc03688	kanamycin B [nebramycin factor 5;bekanamycin;kanamycin-B;]	C18H37N5O10	483.254042	4696-76-8	metacyc	NA	NA
+PJ002453	ATHR 	C19H33N9O6	483.2554	NA	PeJP	NA	NA
+CJneg0624	Testosterone glucuronide isomer [(M-H)+(H2O)]- (13C)	C2413CH37O9	483.255525	C18rt(min)=7.5 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0624	Testosterone glucuronide isomer [(M-H)+(H2O)]- (13C)	C2413CH37O9	483.255525	C18rt(min)=7.5 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+EUR818	Lyso PE 14:1 [M-H+acetate]-	C19H38NO7P	483.259692	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR818	Lyso PE 14:1 [M-H+acetate]-	C19H38NO7P	483.259692	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR818	Lyso PE 14:1 [M-H+acetate]-	C19H38NO7P	483.259692	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR818	Lyso PE 14:1 [M-H+acetate]-	C19H38NO7P	483.259692	masses lipides attendues	Inhousejuil11	NA	NA
+MJ071606	Hetidine; O3-(S-2-Methylbutanoyl), O2-Ac 	C28H37NO6	483.262087	NA	MeJP	NA	NA
+MJ071607	Sczukidine; 2-(2-Methylbutanoyl), 15-Ac 	C28H37NO6	483.262087	NA	MeJP	NA	NA
+PJ002454	GPPTL 	C22H37N5O7	483.2693	NA	PeJP	NA	NA
+PJ002455	SLKH 	C21H37N7O6	483.2806	NA	PeJP	NA	NA
+MJ071608	Delcaroline 	C25H41NO8	483.283217	NA	MeJP	NA	NA
+MJ071609	Jervine; N-Methoxycarbonyl 	C29H41NO5	483.298473	NA	MeJP	NA	NA
+MJ071610	Norzoanthamine; 17S-alcohol 	C29H41NO5	483.298473	NA	MeJP	NA	NA
+C02592	Taurolithocholate	C26H45NO5S	483.3018	NA	KEGG	NA	NA
+MJ071611	3-Hydroxycholan-24-oic acid, N-(2-Sulfoethyl)amide 	C26H45NO5S	483.301844	NA	MeJP	NA	NA
+MetaCyc03689	taurolithocholate []	C26H45N1O5S1	483.301844	516-90-5	metacyc	NA	NA
+HMDB00722	Lithocholyltaurine	C26H45NO5S	483.301849	NA	HMDB2010	NA	NA
+HMDB00722	Lithocholyltaurine	C26H45NO5S	483.30185	http://www.hmdb.ca/metabolites/HMDB00722	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00722	Lithocholyltaurine	C26H45NO5S	483.30185	http://www.hmdb.ca/metabolites/HMDB00722	HMDB	NA	NA
+HMDB00722	Lithocholyltaurine	C26H45NO5S	483.30185	http://www.hmdb.ca/metabolites/HMDB00722	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00722	Lithocholyltaurine	C26H45NO5S	483.30185	HMDB00722	PFEM_hmdb_metabocards_official	NA	NA
+PJ002456	AAPLL 	C23H41N5O6	483.3057	NA	PeJP	NA	NA
+PJ002457	PVLR 	C22H41N7O5	483.3169	NA	PeJP	NA	NA
+MJ071612	Daphnezomine C 	C30H45NO4	483.334858	NA	MeJP	NA	NA
+MJ071613	Lucidine B; 14?-Hydroxy 	C30H49N3O2	483.382477	NA	MeJP	NA	NA
+MJ071614	Lucidine B; 6',17-Diepimer, 14?-hydroxy 	C30H49N3O2	483.382477	NA	MeJP	NA	NA
+MJ071615	Spirolucidine 	C30H49N3O2	483.382477	NA	MeJP	NA	NA
+C09891	Oxolucidine B	C30H49N3O2	483.3825	NA	KEGG	NA	NA
+C09903	Spirolucidine	C30H49N3O2	483.3825	NA	KEGG	NA	NA
+HMDB11758	Cer(d18:0/12:0)	C30H61NO3	483.465149	NA	HMDB2010	NA	NA
+MJ071616	2,6-Dibromo-3,5-dihydroxybenzeneacetic acid; Di-O-sulfate 	C8H6Br2O10S2	483.776913	NA	MeJP	NA	NA
+MJ071617	3-[Bromo(3,5-dibromo-6-ethyltetrahydro-2H-pyran-2-yl)methyl]-6-ethynyl-2,5-dioxabicyclo[2.2.1]heptane 	C15H19Br3O3	483.888432	NA	MeJP	NA	NA
+MJ071618	Aplyparvunin 	C15H19Br3O3	483.888432	NA	MeJP	NA	NA
+MJ071619	Neoobtusin 	C15H19Br3O3	483.888432	NA	MeJP	NA	NA
+MJ071620	Obtusin 	C15H19Br3O3	483.888432	NA	MeJP	NA	NA
+MJ071621	Hamacanthin A 	C20H14Br2N4O	483.953436	NA	MeJP	NA	NA
+MJ071622	Hamacanthin B 	C20H14Br2N4O	483.953436	NA	MeJP	NA	NA
+C00075	UTP	C9H15N2O15P3	483.9685	NA	KEGG	NA	NA
+MJ071623	Uridine 5'-triphosphate 	C9H15N2O15P3	483.968527	NA	MeJP	NA	NA
+MJ071624	UTP 	C9H15N2O15P3	483.968527	NA	MeJP	NA	NA
+MetaCyc03690	UTP [uridine-triphosphate;uridine-5'-triphosphate;]	C9H15N2O15P3	483.968527	63-39-8	metacyc	NA	NA
+HMDB00285	Uridine triphosphate	C9H15N2O15P3	483.968536	NA	HMDB2010	NA	NA
+HMDB00285	Uridine triphosphate	C9H15N2O15P3	483.96854	http://www.hmdb.ca/metabolites/HMDB00285	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00285	Uridine triphosphate	C9H15N2O15P3	483.96854	http://www.hmdb.ca/metabolites/HMDB00285	HMDB	NA	NA
+HMDB00285	Uridine triphosphate	C9H15N2O15P3	483.96854	http://www.hmdb.ca/metabolites/HMDB00285	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00285	Uridine triphosphate	C9H15N2O15P3	483.96854	HMDB00285	PFEM_hmdb_metabocards_official	NA	NA
+MJ071625	Trepirium(2+), Diiodide 	C12H26I2N2O2	484.008364	NA	MeJP	NA	NA
+C13378	alpha,beta-Dihydroxyethyl-TPP	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13379	Transferred to D06395	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13380	Transferred to D01907	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13381	Transferred to D01908	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13382	Transferred to D01909	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13383	Transferred to D01910	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13384	Transferred to D01911	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13385	Transferred to D01912	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13386	Transferred to D01913	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13387	Transferred to D01914	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13388	Transferred to D01915	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13389	Transferred to D01916	C14H22N4O9P2S	484.0583	NA	KEGG	NA	NA
+C13968	Cefamandole sodium	C18H17N6O5S2	484.06	NA	KEGG	NA	NA
+C13969	Transferred to D02192	C18H17N6O5S2	484.06	NA	KEGG	NA	NA
+C13970	Transferred to D02193	C18H17N6O5S2	484.06	NA	KEGG	NA	NA
+C13971	Transferred to D02194	C18H17N6O5S2	484.06	NA	KEGG	NA	NA
+C13972	Transferred to D02195	C18H17N6O5S2	484.06	NA	KEGG	NA	NA
+C04101	1-O,6-O-Digalloyl-beta-D-glucose	C20H20O14	484.0853	NA	KEGG	NA	NA
+MJ071626	1,2-Digalloylglucose; ?-D-Pyranose-form 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071627	1,4-Digalloylglucose; ?-D-Pyranose-form 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071628	1,4-Digalloylglucose; ?-D-Pyranose-form 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071629	1,6-Digalloylglucose; ?-D-Pyranose-form 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071630	2,6-Digalloylglucose 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071631	2-C-Hydroxymethylribose; ?-D-Furanose-form, 2',5-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071632	2-C-Hydroxymethylribose; D-Furanose-form, 1,2'-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071633	2-C-Hydroxymethylribose; D-Pyranose-form, 2',4-Bis(3,4,5-trihydroxybenzoyl) 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071634	3,4,5-Trihydroxybenzoic acid; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071635	3,4,5-Trihydroxybenzoic acid; 4-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071636	3,4-Digalloylglucose 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071637	3,6-Digalloylglucose; D-Pyranose-form 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071638	4,6-Digalloylglucose 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MJ071639	Nilocitin 	C20H20O14	484.085305	NA	MeJP	NA	NA
+MetaCyc03691	1-O,6-O-digalloyl-&beta;-D-glucose [3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester;]	C20H20O14	484.085305	NA	metacyc	NA	NA
+MJ071640	Crustinic acid 	C24H20O11	484.100561	NA	MeJP	NA	NA
+MJ071641	Hiascic acid 	C24H20O11	484.100561	NA	MeJP	NA	NA
+MJ071642	Lasallic acid 	C24H20O11	484.100561	NA	MeJP	NA	NA
+MJ071643	Falconensin A; 1',2'-Dihydro 	C23H26Cl2O7	484.105558	NA	MeJP	NA	NA
+MJ071644	Stenosporic acid; 3,5-Dichloro, O-de-Me, 2'-Me ether 	C23H26Cl2O7	484.105558	NA	MeJP	NA	NA
+PJ002458	CCEM 	C16H28N4O7S3	484.112	NA	PeJP	NA	NA
+MJ071645	Cassigarol D 	C28H20O8	484.115817	NA	MeJP	NA	NA
+MJ071646	Cassigarol G 	C28H20O8	484.115817	NA	MeJP	NA	NA
+MJ071647	Diphyllin; Benzoyl 	C28H20O8	484.115817	NA	MeJP	NA	NA
+MJ071648	Diuredosan 	C19H25N4O7PS	484.118156	NA	MeJP	NA	NA
+MJ071649	1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 2-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O13	484.12169	NA	MeJP	NA	NA
+MJ071650	1,2,3,5-Benzenetetrol; 1,3-Di-Me ether, 5-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C21H24O13	484.12169	NA	MeJP	NA	NA
+MJ071651	3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-?-D-Glucopyranoside 	C21H24O13	484.12169	NA	MeJP	NA	NA
+MJ071652	6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside] 	C21H24O13	484.12169	NA	MeJP	NA	NA
+FL6DAGGS0001	Diospyrin	C21H24O13	484.12169	27838-81-9	knapsack	NA	NA
+MJ071653	N-[[3-(?-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 	C20H24N2O12	484.132924	NA	MeJP	NA	NA
+MetaCyc03692	3-(O-&beta;-glucosyl)-2-oxindole-3-acetyl-asp [3-(O-&beta;-glucosyl)-2-oxindole-3-acetyl-aspartic acid;3-(O-&beta;-glucosyl)-2-indolone-3-acetyl-aspartic acid;3-(O-&beta;-glucosyl)-dioxindole-3-acetyl-aspartic acid;]	C20H24N2O12	484.132924	NA	metacyc	NA	NA
+MJ071654	8-[1-(3,4-Dihydroxyphenyl)-3-methoxy-3-oxopropyl]epicatechin 	C25H24O10	484.136946	NA	MeJP	NA	NA
+MJ071655	Silydianin 	C25H24O10	484.136946	NA	MeJP	NA	NA
+PJ002459	PCCY 	C20H28N4O6S2	484.145	NA	PeJP	NA	NA
+PJ002460	TCMM 	C17H32N4O6S3	484.1484	NA	PeJP	NA	NA
+MJ071656	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H28O12	484.158076	NA	MeJP	NA	NA
+MJ071657	7-Methyl-1,4,5-naphthalenetriol; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H28O12	484.158076	NA	MeJP	NA	NA
+MJ071658	Bruceaketolic acid 	C22H28O12	484.158076	NA	MeJP	NA	NA
+PJ002461	GDMY 	C20H28N4O8S	484.1628	NA	PeJP	NA	NA
+MJ071659	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl), 15-(4-hydroxybenzoyl) 	C26H28O9	484.173332	NA	MeJP	NA	NA
+MJ071660	Brownin D 	C26H28O9	484.173332	NA	MeJP	NA	NA
+MJ071661	Brownin F 	C26H28O9	484.173332	NA	MeJP	NA	NA
+MJ071662	Dukunolide D; 8?,9?-Epoxide 	C26H28O9	484.173332	NA	MeJP	NA	NA
+MJ071663	Evodol 	C26H28O9	484.173332	NA	MeJP	NA	NA
+MJ071664	Perforatin 	C26H28O9	484.173332	NA	MeJP	NA	NA
+PJ002462	PCEH 	C19H28N6O7S	484.174	NA	PeJP	NA	NA
+MJ071665	Glisindamide 	C24H28N4O5S	484.17804	NA	MeJP	NA	NA
+PJ002463	SSEY 	C20H28N4O10	484.1806	NA	PeJP	NA	NA
+PJ002464	GMMF 	C21H32N4O5S2	484.1814	NA	PeJP	NA	NA
+MJ071666	Ulobetasol; 17-Propanoyl 	C25H31ClF2O5	484.182808	NA	MeJP	NA	NA
+MJ071667	5-Hydroxytryptamine; Nb-(4-Hydroxycinnamoyl)(E-), O-?-D-glucopyranoside 	C25H28N2O8	484.184565	NA	MeJP	NA	NA
+MJ071668	Antibiotic UK 2; Antibiotic UK 2A, Demethoxy 	C25H28N2O8	484.184565	NA	MeJP	NA	NA
+MJ071669	Mappicine, 17-Hydroxy, O-?-D-glucopyranoside 	C25H28N2O8	484.184565	NA	MeJP	NA	NA
+MJ071670	6-Chloro-2,8,9,12-tetrahydroxy-5,13-briaradien-18,7-olide; 2,12-Di-Ac 	C24H33ClO8	484.186395	NA	MeJP	NA	NA
+FL1DA9NC0005	Angoluvarin	C30H28O6	484.18858	110874-65-2	knapsack	NA	NA
+FL1DA9NC0006	Diuvaretin	C30H28O6	484.18858	61463-04-5	knapsack	NA	NA
+FL2F19NC0003	(+)-Tephrorin B;Tephrorin B	C30H28O6	484.18858	261767-63-9	knapsack	NA	NA
+MJ071671	Angoluvarin 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071672	Bisparasin 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071673	Diuvaretin 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071674	Isothamnosin A 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071675	Marchantin C; 2'-Hydroxy, 7'?-ethoxy 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071676	Phebalin 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071677	Shancilin 	C30H28O6	484.188588	NA	MeJP	NA	NA
+MJ071678	Thamnosin 	C30H28O6	484.188588	NA	MeJP	NA	NA
+PJ002465	AEEH 	C19H28N6O9	484.1918	NA	PeJP	NA	NA
+PJ002466	GDFF 	C24H28N4O7	484.1958	NA	PeJP	NA	NA
+PJ002467	ATMY 	C21H32N4O7S	484.1992	NA	PeJP	NA	NA
+MJ071679	3-[1-(4-Chlorophenyl)propyl]-7-(6,7-dihydroxy-3,7-dimethyl-2-octenyl)-4-hydroxy-2H-1-benzopyran-2-one 	C28H33ClO5	484.201651	NA	MeJP	NA	NA
+PJ002468	SNQH 	C18H28N8O8	484.203	NA	PeJP	NA	NA
+MJ071680	5-[4-[(1,6-Dihydro-6-oxo-3-pyridazinyl)oxy]-3,4-dihydro-3-hydroxy-2,2,3-trimethyl-2H-1-benzopyran-6-yl]-1H-tetrazole-1-butanoic acid, Et ester 	C23H28N6O6	484.207032	NA	MeJP	NA	NA
+C08178	Hydrocortisone sodium succinate	C25H33O8	484.2073	NA	KEGG	NA	NA
+MJ071681	Atalantolide 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071682	Binankadsurin A; 7-Angeloyl 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071683	Carapin; 6-Hydroxy 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071684	Chrodrimanin A; 1-Ac 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071685	Deacylschiarisanrin; 10-(2-Methylbutanoyl) 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071686	Isogomisin O; 3-O-De-Me, 7-tigloyl 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071687	Margosinolide 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071688	Mexicanolide; 2?-Hydroxy 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071689	Oriciopsin 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071690	Physodic acid; 3-Me ether 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071691	Physodic acid; 8-Me ether 	C27H32O8	484.209718	NA	MeJP	NA	NA
+MJ071692	Verrucarin J 	C27H32O8	484.209718	NA	MeJP	NA	NA
+PJ002469	PTMH 	C20H32N6O6S	484.2104	NA	PeJP	NA	NA
+MJ071693	Bagougeramine A 	C17H28N10O7	484.214243	NA	MeJP	NA	NA
+MJ071694	Neocondurangotriose 	C20H36O13	484.215591	NA	MeJP	NA	NA
+PJ002470	TTTY 	C21H32N4O9	484.2169	NA	PeJP	NA	NA
+MJ071695	10,11-Dimethoxy-1-methyldeacetylpicraline; Ac 	C26H32N2O7	484.220951	NA	MeJP	NA	NA
+PJ002471	SLEH 	C20H32N6O8	484.2282	NA	PeJP	NA	NA
+MJ071696	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4-Di-Ac 	C24H36O10	484.230847	NA	MeJP	NA	NA
+MJ071697	Monodontamide B; Deformyl 	C25H32N4O6	484.232184	NA	MeJP	NA	NA
+PJ002472	GVFY 	C25H32N4O6	484.2322	NA	PeJP	NA	NA
+MJ071698	Antibiotic NK 1012-3 	C18H36N4O11	484.238058	NA	MeJP	NA	NA
+MJ071699	Kanamycin A 	C18H36N4O11	484.238058	NA	MeJP	NA	NA
+MJ071700	Kanamycin C 	C18H36N4O11	484.238058	NA	MeJP	NA	NA
+MJ071701	Nebramycin factor 3 	C18H36N4O11	484.238058	NA	MeJP	NA	NA
+MetaCyc03693	kanamycin C []	C18H36N4O11	484.238058	NA	metacyc	NA	NA
+MetaCyc03694	kanamycin A []	C18H36N4O11	484.238058	NA	metacyc	NA	NA
+C01822	Kanamycin A	C18H36N4O11	484.2381	NA	KEGG	NA	NA
+C01823	Kanamycin C	C18H36N4O11	484.2381	NA	KEGG	NA	NA
+PJ002473	SNKH 	C19H32N8O7	484.2394	NA	PeJP	NA	NA
+PJ002474	FRY 	C24H32N6O5	484.2434	NA	PeJP	NA	NA
+MJ071702	Segetalin B 	C24H32N6O5	484.243418	NA	MeJP	NA	NA
+MJ071703	1,2,9-Trihydroxydihydro-?-agarofuran, 1E-Cinnamoyl, 2,9-di-Ac 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071704	1,6,9-Trihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1,6-di-Ac 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071705	12,22-Epoxy-12,17,21-trihydroxy-1-oxoergosta-2,5,24-trien-26,23-olide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071706	3,4,6,8-Tetrahydroxy-11,13-clerodadien-15,16-olide, 4-Me ether, 6-benzoyl 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071707	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071708	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(4-Hydroxybenzoyl) 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071709	3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-2-one; 6-Propyl analogue 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071710	5,6-Epoxy-4,16-dihydroxy-1,18-dioxowitha-2,24-dienolide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071711	5,6:12,21-Diepoxy-12,17-dihydroxy-1-oxowitha-2,24-dienolide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071712	5,6:18,20-Diepoxy-4,18-dihydroxy-1-oxowitha-2,24-dienolide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071713	6,7-Epoxy-5,12-dihydroxy-1-oxowitha-2,24-dienolide, 24S,25S-Epoxide, 12-ketone 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071714	6,7-Epoxy-5,17-dihydroxy-1,12-dioxowitha-2,24-dienolide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071715	7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071716	7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071717	7-[3-(4-Acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic acid 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071718	Deparnol; O-Ac 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071719	Gedunin; 1,2-Dihydro 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071720	Jaborosalactone P; 5?,6?-Epoxide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071721	Jaborosalactone R 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071722	Nimocinolide 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071723	Trechonolide A 	C28H36O7	484.246103	NA	MeJP	NA	NA
+MJ071724	Withaphysalin C 	C28H36O7	484.246103	NA	MeJP	NA	NA
+PJ002475	VVMH 	C21H36N6O5S	484.2468	NA	PeJP	NA	NA
+7494	ACE inhibitor (from bovine b-CN)	LNVPGEIVE	484.25195	MH2+	Inhouse_peptide	NA	peptide
+MJ071725	Melibionic acid; Me ester, octa-Me 	C21H40O12	484.251976	NA	MeJP	NA	NA
+MJ071726	Dimerum acid 	C22H36N4O8	484.253314	NA	MeJP	NA	NA
+PJ002476	GSPPK 	C21H36N6O7	484.2646	NA	PeJP	NA	NA
+MJ071727	1,6,10-Farnesatriene-3,12-diol, 3-O-(2,6-Di-O-acetyl-?-D-glucopyranoside) 	C25H40O9	484.267232	NA	MeJP	NA	NA
+MJ071728	1,6,10-Farnesatriene-3,9-diol; 9-O-(2,6-Di-O-acetyl-?-D-glucopyranoside) 	C25H40O9	484.267232	NA	MeJP	NA	NA
+MJ071729	3,5,6,7,10,14,16-Grayanotoxaneheptol, 14-Propanoyl, 6-Ac 	C25H40O9	484.267232	NA	MeJP	NA	NA
+MJ071730	3,5,6,7,10,14,16-Grayanotoxaneheptol, 14-Propanoyl, 7-Ac 	C25H40O9	484.267232	NA	MeJP	NA	NA
+MJ071731	3,5,6,7,10,14,16-Grayanotoxaneheptol, 7-Propanoyl, 6-Ac 	C25H40O9	484.267232	NA	MeJP	NA	NA
+MJ071732	6,8,18-Trihydroxy-13-labden-15,16-olide, 6-O-?-L-Arabinopyranoside 	C25H40O9	484.267232	NA	MeJP	NA	NA
+PJ002477	PVNR 	C20H36N8O6	484.2758	NA	PeJP	NA	NA
+MJ071733	12-Hydroxy-20,24-dimethyl-16,24-dioxo-14,17-scalaradien-25-oic acid; 12?-form, Ac 	C29H40O6	484.282489	NA	MeJP	NA	NA
+MJ071734	14-Hydroxy-4-methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid 	C29H40O6	484.282489	NA	MeJP	NA	NA
+MJ071735	4-Formyl-8a-[[(hexahydro-7-methyl-3-methylene-2H-furo[2,3-c]pyran-5-yl)oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid 	C29H40O6	484.282489	NA	MeJP	NA	NA
+MJ071736	6,15,19-Trihydroxy-5(10),13-halimadien-3-one, 19-[3-(4-Hydroxyphenyl)propanoyl] ester 	C29H40O6	484.282489	NA	MeJP	NA	NA
+MJ071737	Ardisiaquinone E 	C29H40O6	484.282489	NA	MeJP	NA	NA
+MJ071738	Taonia peroxylactone A 	C29H40O6	484.282489	NA	MeJP	NA	NA
+MJ071739	Zosterdiol A; 1',4'-Di-de-Me, 1',4'-quinone, 5-Ac 	C29H40O6	484.282489	NA	MeJP	NA	NA
+C12150	Stigmatellin Y	C29H40O6	484.2825	NA	KEGG	NA	NA
+PJ002478	GPRR 	C19H36N10O5	484.287	NA	PeJP	NA	NA
+8199	ACE inhibitor	KAPVA	484.288	NA  ;SYN:((amino(imino)methyl)(methyl)amino)acetate; ((amino(imino)methyl)(methyl)amino)acetic acid; (alpha-Methylguanido)acetate; (alpha-Methylguanido)acetic acid; Cosmocair C 100; Creatin; Creatine; Creatine hydrate; Kreatin; Krebiozon; Methylguanidoacetate; Methylguanidoacetic acid; N-(Aminoiminomethyl)-N-Methyl-Glycine; N-Methyl-N-guanylglycine; Phosphagen; [[Amino(imino)methyl](methyl)amino]acetate; [[Amino(imino)methyl](methyl)amino]acetic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ071740	6-Bromo-24-methyl-5,9-hexacosadienoic acid 	C27H49BrO2	484.291593	NA	MeJP	NA	NA
+MJ071741	6-Bromo-25-methyl-5,9-hexacosadienoic acid 	C27H49BrO2	484.291593	NA	MeJP	NA	NA
+MJ071742	6-Bromo-5,9,24-heptacosatrienoic acid, 24,25-Dihydro 	C27H49BrO2	484.291593	NA	MeJP	NA	NA
+C13764	Gallopamil	C28H40N2O5	484.2937	NA	KEGG	NA	NA
+MJ071743	Gallopamil 	C28H40N2O5	484.293722	NA	MeJP	NA	NA
+PJ002479	PLQK 	C22H40N6O6	484.301	NA	PeJP	NA	NA
+MJ071744	12,16,19-Kauranetriol, 19-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071745	15-Pimarene-9,17,18-triol; 9?-form, 18-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071746	16,17,18-Kauranetriol, 18-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071747	16,17,19-Kauranetriol, 19-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071748	2,6,16-Kauranetriol, 2-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071749	27-Norcholestane-3,4,5,6,8,14,15,24-octol, 24-Ketone 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071750	3,16,17-Kauranetriol, 17-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071751	7-Pimarene-3,15,16-triol, 16-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071752	8(14)-Pimarene-3,15,16-triol, 3-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071753	8(14)-Pimarene-3,15,16-triol, 16-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071754	8(17),13-Labdadiene-2,15,19-triol, 15-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071755	8(17),13-Labdadiene-3,15,18-triol, 15-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071756	8(17),13-Labdadiene-3,15,18-triol, 18-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071757	8(17),13-Labdadiene-3,15,19-triol, 15-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071758	8(17),13-Labdadiene-3,6,15-triol, 15-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071759	8(17),13-Labdadiene-6,15,18-triol, 18-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071760	8(17),13-Labdadiene-6,15,19-triol, 15-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071761	8,13-Labdadiene-15,17,19-triol, 19-O-?-D-Glucopyranoside 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071762	Pseudomonic acid C 	C26H44O8	484.303618	NA	MeJP	NA	NA
+MJ071763	Anorldianine 	C27H40N4O4	484.304955	NA	MeJP	NA	NA
+MJ071764	Mucronine J 	C27H40N4O4	484.304955	NA	MeJP	NA	NA
+MJ071765	Avenacein 	C25H44N2O7	484.314851	NA	MeJP	NA	NA
+MJ071766	1,3-Dihydroxy-5,24-withadienolide, 1-Ac 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071767	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071768	12,24-Dihydroxy-3-oxocycloarta-1,25-dien-21-oic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071769	15,24-Dihydroxy-12-oleanene-3,11,22-trione; 15?-form 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071770	15-Hydroxy-3,11-dioxo-8,24-lanostadien-26-oic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071771	16,23-Epoxy-2,20-dihydroxycucurbita-5,24-diene-3,11-dione 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071772	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-Ketone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071773	16-Hydroxy-3,24-dioxolanosta-7,9(11)-dien-21-oic acid; 16?-form 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071774	19-Hydroxy-3,11-dioxo-12-ursen-28-oic acid; 19?-form 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071775	2,19-Dihydroxy-3-oxo-1,12-ursadien-28-oic acid; 19?-form 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071776	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071777	22,25-Epoxy-3,17-dihydroxylanosta-7,9(11)-dien-18,20-olide 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071778	23-Oxo-3,4-secoabieta-4(28),7,14(30)-triene-3,26-dioic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071779	24,25-Epoxy-3,11-dihydroxycycloart-7-ene-16,23-dione 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071780	27(13?18)-Abeo-3-hydroxy-14-taraxerene-28,29-dioic acid, 3-Ketone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071781	3,11-Dihydroxy-24-methylene-1-oxocycloart-7-en-28-oic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071782	3,11-Dihydroxy-7-oxolanosta-8,24-dien-26,23-olide 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071783	3,18,21-Trihydroxy-11-oxo-12-oleanen-29-oic acid, 29 ?18 Lactone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071784	3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid, 30?22 Lactone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071785	3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3,22-Diketone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071786	3,24-Dihydroxy-16-oxo-11,13(18)-oleanadien-30-oic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071787	3,27-Dihydroxy-11-oxo-12-oleanen-28-oic acid, 3-Ketone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071788	3,27-Dihydroxy-20(29)-lupen-28-oic acid, 3-Ketone, 27-carboxylic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071789	3,6,19-Trihydroxy-12-ursen-28-oic acid, 3,6-Diketone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071790	3,x-Dihydroxy-22-oxo-11,13(18)-oleanadien-29-oic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071791	3-Hydroxy-12-ursene-27,28-dioic acid, 3-Ketone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071792	3-Hydroxy-2,24-dioxo-3-friedelen-29-oic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071793	3-Hydroxyholost-8-ene-16,23-dione 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071794	3-Hydroxyholost-9(11)-ene-16,23-dione 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071795	4-(6-Hydroxy-12-oxo-11(13)-eudesmen-4-yloxy)-11(13)-eudesmen-12,6-olide 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071796	Abrusogenin 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071797	Anhydro-22-deoxo-3-epiisocucurbitacin D 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071798	Arunachalin 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071799	Azadiradionol 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071800	Cordifolin A; 23,24-Didehydro 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071801	Eunicenone B 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071802	Garcinielliptin oxide 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071803	Garsubellin A 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071804	Garsubellin C 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071805	Garsubellin D 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071806	Honuenone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071807	Hypercalin C 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071808	Jacquinonic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071809	Liquoric acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071810	Luffasterol B 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071811	Mimusopsic acid 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071812	Nalanthalide 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071813	Petuniasterone C; 22-Ac 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071814	Petuniasterone D 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071815	Poricoic acid B 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071816	Pseudolarolide C; Parent acid, 3?4 lactone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071817	Sodwanone A; 10-Deoxy 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071818	Subellinone 	C30H44O5	484.318874	NA	MeJP	NA	NA
+MJ071819	Tigridial 	C30H44O5	484.318874	NA	MeJP	NA	NA
+C08971	Propapyriogenin A2	C30H44O5	484.3189	NA	KEGG	NA	NA
+MJ071820	Tangeraxanthin 	C34H44O2	484.33413	NA	MeJP	NA	NA
+C11604	N-tert-Butyloxycarbonyl-deacetyl-leupeptin	C23H44N6O5	484.3373	NA	KEGG	NA	NA
+PJ002480	PLKK 	C23H44N6O5	484.3373	NA	PeJP	NA	NA
+MJ071821	2,3,4,6,11,19-Hexahydroxy-9,11-secocholest-22-en-9-one, 22,23-Dihydro 	C27H48O7	484.340003	NA	MeJP	NA	NA
+MJ071822	24-Methyl-27-nor-3,6,8,15,16,26-cholestanehexol, 4?-Hydroxy 	C27H48O7	484.340003	NA	MeJP	NA	NA
+MJ071823	Cholestane-3,4,6,8,15,16,26-heptol 	C27H48O7	484.340003	NA	MeJP	NA	NA
+MJ071824	Cholestane-3,5,6,15,16,25,26-heptol 	C27H48O7	484.340003	NA	MeJP	NA	NA
+MJ071825	Cholestane-3,5,6,7,15,16,26-heptol 	C27H48O7	484.340003	NA	MeJP	NA	NA
+MJ071826	Cholestane-3,6,7,8,15,16,26-heptol 	C27H48O7	484.340003	NA	MeJP	NA	NA
+MJ071827	1,3-Dihydroxy-24-methylenecycloartan-28-oic acid, 1-Ketone 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071828	12-Oleanene-3,22,24-triol, 3,24-Carbonate (cyclic ester) 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071829	16,23;24,25-Diepoxy-23-hydroxycycloartan-3-one, Me ether 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071830	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(3-Oxododecanoyl) 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071831	21,22-Epoxy-3-hydroxy-12-oleanen-28-oic acid, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071832	3,15-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071833	3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071834	3,22-Dihydroxy-12-oleanen-29-oic acid, 3-Ketone, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071835	3,22-Dihydroxy-12-ursen-30-oic acid, 3-Ketone, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071836	3,23-Dihydroxy-4,4,17-trimethylcholesta-8,14,24-trien-26-oic acid, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071837	3,24-Dihydroxy-11,13(18)-oleanadien-30-oic acid, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071838	3,28-Dihydroxy-12,20-ursadien-23-oic acid, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071839	3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, 3-Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071840	3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, 26-Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071841	3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, 3-Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071842	3,4-Secodammara-4(28),20,24-triene-3,26-dioic acid; 3-Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071843	3,4-Secotirucalla-4(28),7,24-triene-3,21-dioic acid; 3-Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071844	3,4-Secotirucalla-4(28),7,24-triene-3,26-dioic acid, 3-Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071845	3,7-Dihydroxylanosta-9(11),24-dien-26,23-olide, 3-Me ether 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071846	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-Ketone, 11?-alcohol, 11-Me ether 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071847	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071848	3-Hydroxy-12-oxo-9(11)-oleanen-28-oic acid, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071849	3-Hydroxy-12-ursen-28-oic acid, Formyl 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071850	5,8-Epidioxy-23-norgorgost-6-en-3-ol, Ac 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071851	Abietospiran 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071852	Cimigenol; 25-Deoxy, 25,26-didehydro, 15-Me ether 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071853	Eupha-7,24-diene-3,21,26-triol, 21-Carboxylic acid, 3-ketone, Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071854	Koellikerigenin; 25-Me ether 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071855	Kulonic acid; Me ester 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071856	Stowardolic acid 	C31H48O4	484.35526	NA	MeJP	NA	NA
+MJ071857	3,20-Diaminopregn-16-en-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl), 4-Ac 	C30H48N2O3	484.366493	NA	MeJP	NA	NA
+MJ071858	3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl), 4-Ac 	C30H48N2O3	484.366493	NA	MeJP	NA	NA
+MJ071859	12-Oleanen-3-ol, 12?,13?-Epoxide, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071860	12-Oleanene-3,11-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071861	12-Oleanene-3,28-diol, 28-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071862	12-Oleanene-3,28-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071863	12-Ursene-3,11-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071864	12-Ursene-3,19-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071865	12-Ursene-3,28-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071866	14-Serratene-3,21-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071867	14-Serratene-3,21-diol, 21-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071868	14-Serratene-3,21-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071869	14-Taraxerene-3,28-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071870	14-Taraxerene-3,30-diol; 3?-form, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071871	16,28-Dotriacontadiene-2,4,31-triyne-1,6,30-triol; 16,17-Dihydro 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071872	18-Oleanene-3,22-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071873	18-Oleanene-3,28-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071874	2,3-Friedelanediol, 3-Ketone, 2-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071875	20(29)-Lupene-1,3-diol, 1-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071876	20(29)-Lupene-1,3-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071877	20(29)-Lupene-3,28-diol, 3-O-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071878	20(30)-Taraxastene-3,16-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071879	20-Taraxasten-3-ol, 20?,21?-Epoxide, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071880	20-Taraxastene-3,22-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071881	20-Taraxastene-3,6-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071882	20-Ursene-3,22-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071883	22(29)-Hopene-6,21-diol, 6-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071884	24-Methylenelanost-8-ene-3,21-diol, 21-Carboxylic acid, Me ester 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071885	25-Methylpisolactone 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071886	29-Hydroxy-18-methyl-4,27-hentriacontadiene-2,30-diynoic acid 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071887	3,25-Epoxy-22-hopanol, Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071888	3,29-Lupanediol, 29-Aldehyde, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071889	3-Hydroxy-27-friedelanal, Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071890	3-Hydroxycycloartan-24-one, Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071891	9(11)-Fernene-3,12-diol, 12-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071892	9(11)-Fernene-3,19-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071893	Cycloart-23-ene-3,25-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071894	Cycloart-24-ene-1,3-diol, 1-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071895	Cycloart-25-ene-3,24-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071896	Dammara-20,25-diene-3,17-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071897	Dammara-20,25-diene-3,24-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071898	Eupha-7,23-diene-3,25-diol, 3-Ac 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071899	Pellynol I 	C32H52O3	484.391645	NA	MeJP	NA	NA
+MJ071900	20,24-Epoxy-25-ethyl-24-methyldammaran-3-ol, 3-Ketone 	C33H56O2	484.428031	NA	MeJP	NA	NA
+MJ071901	24-Hydroxy-24,25-dimethyllanost-9(11)-en-3-one; 24?-form, Me ether 	C33H56O2	484.428031	NA	MeJP	NA	NA
+MJ071902	34,35-Dinor-6,11-bacteriohopadiene-32,33-diol, 11,12-Dihydro 	C33H56O2	484.428031	NA	MeJP	NA	NA
+MJ071903	7-Drimen-11-ol, O-(9,12-Octadecadienoyl) 	C33H56O2	484.428031	NA	MeJP	NA	NA
+3394	ACE inhibitor	FPFEVFGK	484.7405	MH2+	Inhouse_peptide	NA	peptide
+2589	tenecin-1 (17-27)	DAACAAHCLFR~	484.75095	MH2+	Inhouse_peptide	NA	peptide
+3977	ACE inhibitor	LDAQSAPLR	484.75595	MH2+	Inhouse_peptide	NA	peptide
+8334	f(30-37) of alpha S1 casein	VLNENLLR	484.7744	MH2+	Inhouse_peptide	NA	peptide
+C11336	Mersalyl acid	C13H17HgNO6	485.0762	NA	KEGG	NA	NA
+MJ071904	Mercuderamide, Me ether 	C13H17HgNO6	485.076212	NA	MeJP	NA	NA
+PJ002481	GTCCC 	C15H27N5O7S3	485.1073	NA	PeJP	NA	NA
+PJ002482	SSSCC 	C15H27N5O9S2	485.125	NA	PeJP	NA	NA
+PJ002483	CCNF 	C19H27N5O6S2	485.1403	NA	PeJP	NA	NA
+C17353	Nocardicin D	C23H23N3O9	485.1434	NA	KEGG	NA	NA
+MJ071905	Nocardicin D 	C23H23N3O9	485.143429	NA	MeJP	NA	NA
+PJ002484	SCNY 	C19H27N5O8S	485.158	NA	PeJP	NA	NA
+PJ002485	GGSCY 	C19H27N5O8S	485.1581	NA	PeJP	NA	NA
+MJ071906	N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propanamide 	C24H25ClFN5O3	485.162995	NA	MeJP	NA	NA
+MJ071907	Rutacridone; 3'-Hydroxy, glucoside 	C25H27NO9	485.168581	NA	MeJP	NA	NA
+PJ002486	SNEH 	C18H27N7O9	485.187	NA	PeJP	NA	NA
+PJ002487	GGSEH 	C18H27N7O9	485.1871	NA	PeJP	NA	NA
+MJ071908	Imiclopazine 	C25H32ClN5OS	485.201609	NA	MeJP	NA	NA
+PJ002488	GSHW 	C22H27N7O6	485.2023	NA	PeJP	NA	NA
+PJ002489	AQMH 	C19H31N7O6S	485.2057	NA	PeJP	NA	NA
+PJ002490	GSPPE 	C20H31N5O9	485.2122	NA	PeJP	NA	NA
+PJ002491	ACHR 	C18H31N9O5S	485.2169	NA	PeJP	NA	NA
+MJ071909	2-Amino-2-deoxy-?-D-mannopyranosyl-(1?3)-2-amino-2-deoxy-?-L-fucopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose 	C18H35N3O12	485.222073	NA	MeJP	NA	NA
+MJ071910	Antibiotic LL-BM 27?; 2-Deoxy 	C18H35N3O12	485.222073	NA	MeJP	NA	NA
+MetaCyc03695	kanamycin X []	C18H35N3O12	485.222074	NA	metacyc	NA	NA
+C17999	6-O-Glc-paromamine	C18H35N3O12	485.2221	NA	KEGG	NA	NA
+PJ002492	SDKH 	C19H31N7O8	485.2234	NA	PeJP	NA	NA
+PJ002493	GGGGAAP 	C19H31N7O8	485.2235	NA	PeJP	NA	NA
+MJ071911	17-Methylparsonsianidine; 24?-Hydroxy 	C23H35NO10	485.226096	NA	MeJP	NA	NA
+PJ002494	SPPW 	C24H31N5O6	485.2275	NA	PeJP	NA	NA
+MJ071912	Antibiotic SF 2513; Antibiotic SF 2513B 	C22H36N3O7P	485.229087	NA	MeJP	NA	NA
+PJ002495	AAPPM 	C21H35N5O6S	485.2308	NA	PeJP	NA	NA
+PJ002496	SSHR 	C18H31N9O7	485.2347	NA	PeJP	NA	NA
+MJ071913	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl) 	C27H35NO7	485.241352	NA	MeJP	NA	NA
+MJ071914	Antibiotic F 1839A; 2,3-Di-Ac 	C27H35NO7	485.241352	NA	MeJP	NA	NA
+MJ071915	Daphnezomine F; 7-Deoxo, 6,7-didehydro 	C27H35NO7	485.241352	NA	MeJP	NA	NA
+PJ002497	AKMH 	C20H35N7O5S	485.2421	NA	PeJP	NA	NA
+PJ002498	PLQE 	C21H35N5O8	485.2486	NA	PeJP	NA	NA
+EUR886	Lyso PE 20:5 [M-H-CH3]-	C25H42NO7P	485.254242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR886	Lyso PE 20:5 [M-H-CH3]-	C25H42NO7P	485.254242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR886	Lyso PE 20:5 [M-H-CH3]-	C25H42NO7P	485.254242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR886	Lyso PE 20:5 [M-H-CH3]-	C25H42NO7P	485.254242	masses lipides attendues	Inhousejuil11	NA	NA
+PJ002499	PVDR 	C20H35N7O7	485.2598	NA	PeJP	NA	NA
+PJ002500	APLW 	C25H35N5O5	485.2638	NA	PeJP	NA	NA
+MJ071916	Roseotoxin S 	C23H39N3O8	485.273715	NA	MeJP	NA	NA
+MJ071917	Sarcodon scabrosus Depsipeptide 	C23H39N3O8	485.273715	NA	MeJP	NA	NA
+EUR822	Lyso PE 15:0 [M+FA-H]-	C20H42NO7P	485.274772	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR822	Lyso PE 15:0 [M+FA-H]-	C20H42NO7P	485.274772	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR822	Lyso PE 15:0 [M+FA-H]-	C20H42NO7P	485.274772	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR822	Lyso PE 15:0 [M+FA-H]-	C20H42NO7P	485.274772	masses lipides attendues	Inhousejuil11	NA	NA
+EUR813	Lyso PE 14:0 [M-H+acetate]-	C19H40NO7P	485.275342	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR813	Lyso PE 14:0 [M-H+acetate]-	C19H40NO7P	485.275342	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR813	Lyso PE 14:0 [M-H+acetate]-	C19H40NO7P	485.275342	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR813	Lyso PE 14:0 [M-H+acetate]-	C19H40NO7P	485.275342	masses lipides attendues	Inhousejuil11	NA	NA
+MJ071918	Prednisolone; 21-(1-Piperidinoacetate) 	C28H39NO6	485.277737	NA	MeJP	NA	NA
+MJ071919	Prednylidene; 21-Diethylaminoacetyl 	C28H39NO6	485.277737	NA	MeJP	NA	NA
+MJ071920	Spirodihydrobenzofuranlactam I; N-(4-Carboxybutyl) 	C28H39NO6	485.277737	NA	MeJP	NA	NA
+PJ002501	PLKE 	C22H39N5O7	485.285	NA	PeJP	NA	NA
+CJneg0625	Chenodeoxyglycocholic acid [(M+Cl)]-	C26H43ClNO5	485.290725	C18rt(min)=8.86 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0625	Chenodeoxyglycocholic acid [(M+Cl)]-	C26H43ClNO5	485.290725	C18rt(min)=8.86 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002502	PTLR 	C21H39N7O6	485.2962	NA	PeJP	NA	NA
+MJ071921	Melochinine; O-?-D-Glucopyranoside 	C25H43NO8	485.298867	NA	MeJP	NA	NA
+MJ071922	Alkaloid LO1 	C31H39N3O2	485.304227	NA	MeJP	NA	NA
+MJ071923	Delaminomycin A; 5'-Deoxy 	C29H43NO5	485.314123	NA	MeJP	NA	NA
+MJ071924	Scyphostatin 	C29H43NO5	485.314123	NA	MeJP	NA	NA
+PJ002503	LLLQ 	C23H43N5O6	485.3214	NA	PeJP	NA	NA
+PJ002504	VVLR 	C22H43N7O5	485.3326	NA	PeJP	NA	NA
+MJ071925	2-Amino-1,3,4-octadecanetriol, N,O,O,O-Tetra-Ac 	C26H47NO7	485.335252	NA	MeJP	NA	NA
+MJ071926	Daphnimacropine 	C30H47NO4	485.350508	NA	MeJP	NA	NA
+MJ071927	Daphniphyllidine 	C30H47NO4	485.350508	NA	MeJP	NA	NA
+PJ002505	LLLK 	C24H47N5O5	485.3577	NA	PeJP	NA	NA
+C01792	Chlordecone	C10Cl10O	485.6834	NA	KEGG	NA	NA
+C01793	Chlorophyll	C54H69MgN4O5R	485.6834	NA	KEGG	NA	NA
+MetaCyc03696	chlordecone []	C10O1CL10	485.683442	143-50-0	metacyc	NA	NA
+MJ071928	2-[[3-Bromo-5-(1-bromopropyl)tetrahydro-2-furanyl]methyl]-5-(1-bromo-2-propynyl)tetrahydro-3-furanol 	C15H21Br3O3	485.904082	NA	MeJP	NA	NA
+MJ071929	3,6,13-Tribromo-4,10:9,12-diepoxy-14-pentadecyn-7-ol 	C15H21Br3O3	485.904082	NA	MeJP	NA	NA
+MJ071930	5-(1-Bromo-2-propynyl)-2-[(3,5-dibromo-6-ethyltetrahydro-2H-pyran-2-yl)methyl]tetrahydro-3-furanol 	C15H21Br3O3	485.904082	NA	MeJP	NA	NA
+MJ071931	Intricata bromoallene 	C15H21Br3O3	485.904082	NA	MeJP	NA	NA
+MJ071932	6,16,16-Tribromo-5,15-hexadecadienoic acid 	C16H25Br3O2	485.940467	NA	MeJP	NA	NA
+MJ071933	Neltenexine 	C18H20Br2N2O2S	485.961223	NA	MeJP	NA	NA
+MJ071934	Hamacanthin A, 3R,4-Dihydro 	C20H16Br2N4O	485.969086	NA	MeJP	NA	NA
+MJ071935	Hamacanthin A, 3S,4-Dihydro 	C20H16Br2N4O	485.969086	NA	MeJP	NA	NA
+MJ071936	Hamacanthin B; 3,4-Dihydro(cis-) 	C20H16Br2N4O	485.969086	NA	MeJP	NA	NA
+MJ071937	Dragmacidon A 	C21H20Br2N4	486.005471	NA	MeJP	NA	NA
+MJ071938	Salazinic acid; 1''-O-Fumaroyl 	C22H14O13	486.04344	NA	MeJP	NA	NA
+MJ071939	Tolufazepam 	C24H20Cl2N2O3S	486.057168	NA	MeJP	NA	NA
+MJ071940	3,8-Dichloro-11,12-dihydroindolo[2,3-a]carbazole; N-?-D-Glucopyranosyl 	C24H20Cl2N2O5	486.074927	NA	MeJP	NA	NA
+MJ071941	3-Ethyl-2-[5-(3-ethyl-2(3H)-benzoxazolylidene)-1,3-pentadienyl]benzoxazolium(1+); Iodide 	C23H23IN2O2	486.080421	NA	MeJP	NA	NA
+MJ071942	Garciduol A 	C27H18O9	486.095082	NA	MeJP	NA	NA
+MJ071943	Garciduol C 	C27H18O9	486.095082	NA	MeJP	NA	NA
+MJ071944	Marinone 	C25H27BrO5	486.104186	NA	MeJP	NA	NA
+PJ002506	CCMM 	C16H30N4O5S4	486.1099	NA	PeJP	NA	NA
+MJ071945	Sirodesmin A 	C20H26N2O8S2	486.113057	NA	MeJP	NA	NA
+C04385	Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)	C24H22O11	486.1162	NA	KEGG	NA	NA
+C04386	Myelin proteolipid O-palmitoylprotein	C20H36N2O4R2	486.1162	NA	KEGG	NA	NA
+C04387	N-Acetyl-D-galactosaminyl-polypeptide	C20H36N2O4R2	486.1162	NA	KEGG	NA	NA
+C12380	Tetracenomycin X	C24H22O11	486.1162	NA	KEGG	NA	NA
+FL63AGNS0006	Epigallocatechin 3-O-(3,5-di-O-methylgallate)	C24H22O11	486.11621	173484-92-9	knapsack	NA	NA
+MJ071946	3,3',4',5,5',7-Hexahydroxyflavan, 3-O-(4-Hydroxy-3,5-dimethoxybenzoyl) 	C24H22O11	486.116211	NA	MeJP	NA	NA
+MJ071947	Alliaroside 	C24H22O11	486.116211	NA	MeJP	NA	NA
+MJ071948	Tetracenomycin C; 8-O-De-Me, O8-Et 	C24H22O11	486.116211	NA	MeJP	NA	NA
+MJ071949	Tetracenomycin C; O10a-Me 	C24H22O11	486.116211	NA	MeJP	NA	NA
+MJ071950	Pyranocyanin B 	C24H23O11(+)	486.116211	NA	MeJP	NA	NA
+MJ071951	Furbenicillin 	C22H22N4O7S	486.120919	NA	MeJP	NA	NA
+PJ002507	CCDF 	C19H26N4O7S2	486.1243	NA	PeJP	NA	NA
+MJ071952	Buprestin B 	C23H22N2O10	486.127444	NA	MeJP	NA	NA
+MJ071953	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(3-Chloro-2-hydroxy-2-methylpropanoyl), 9-Ac, Me ester 	C22H27ClO10	486.129274	NA	MeJP	NA	NA
+MJ071954	Bequinostatin A; 6-Deoxy, 5,6-didehydro 	C28H22O8	486.131467	NA	MeJP	NA	NA
+MJ071955	Cassigarol E 	C28H22O8	486.131467	NA	MeJP	NA	NA
+MJ071956	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071957	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-[?-D-Glucopyranosyl-(1?2)-apiofuranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071958	5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071959	5,7-Dihydroxy-4H-1-benzopyran-4-one; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071960	6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071961	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071962	7-Hydroxy-2H-1-benzopyran-2-one; O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071963	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071964	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071965	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071966	Leucodrin; 4'-O-?-D-Glucopyranoside 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071967	Plumieride; 6?,7?-Epoxide 	C21H26O13	486.13734	NA	MeJP	NA	NA
+MJ071968	Fluclorolone acetonide 	C24H29Cl2FO5	486.137607	NA	MeJP	NA	NA
+MJ071969	4-[1-[[[(4-Chlorophenyl)sulfonyl]amino]methyl]-4-(3-pyridinyl)butyl]benzenepropanoic acid 	C25H27ClN2O4S	486.138005	NA	MeJP	NA	NA
+PJ002508	SCDY 	C19H26N4O9S	486.1421	NA	PeJP	NA	NA
+C01315	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-	C24H26N2O7S	486.1461	NA	KEGG	NA	NA
+C06717	Mycothiol	C17H30N2O12S	486.1519	NA	KEGG	NA	NA
+MetaCyc03697	mycothiol [MSH;AcCys-GlcN-Ins;1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-&alpha;-D-glucopyranoside;1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-&alpha;-D-glucopyranoside;]	C17H30N2O12S1	486.151945	NA	metacyc	NA	NA
+MJ071970	1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-O-(2,3-Diacetyl-?-L-rhamnopyranoside) 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071971	3-Methoxypodophyllotoxin; 7-Ac 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071972	5,6,7,8-Tetrahydro-5,6,7-trihydroxy-2-[2-(2-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one, Tetra-Ac 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071973	7-Hydroxy-3',4',5',6-tetramethoxy-4,5-methylenedioxy-2,7'-cyclolignan-9',9-olide, Ac 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071974	Aquayamycin 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071975	Fridamycin A 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071976	Sakyomicin A 	C25H26O10	486.152597	NA	MeJP	NA	NA
+MJ071977	Steffimycin; 3,9-Bisdemethoxy, 7-deoxo, 2'-O-de-Me 	C25H26O10	486.152597	NA	MeJP	NA	NA
+C12412	Aquayamycin	C25H26O10	486.1526	NA	KEGG	NA	NA
+MJ071978	?-D-Galactopyranuronosyl-(1?2)-?-L-rhamnopyranosyl-(1?2)-L-rhamnose 	C18H30O15	486.15847	NA	MeJP	NA	NA
+MJ071979	?-D-Glucuronopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranose 	C18H30O15	486.15847	NA	MeJP	NA	NA
+PJ002509	ACMY 	C20H30N4O6S2	486.1607	NA	PeJP	NA	NA
+MJ071980	Singapurensine A; 11,12-Methylenedioxy 	C24H26N2O9	486.16383	NA	MeJP	NA	NA
+MJ071981	N-(Phosphinothricylalanylalanyl)phosphinothricin 	C16H32N4O9P2	486.164451	NA	MeJP	NA	NA
+PJ002510	CNNH 	C17H26N8O7S	486.1645	NA	PeJP	NA	NA
+PJ002511	GGGGCH 	C17H26N8O7S	486.1646	NA	PeJP	NA	NA
+MJ071982	Haterumalide NE; 9R-Hydroxy, 3-Ac 	C23H31ClO9	486.16566	NA	MeJP	NA	NA
+3111	adrenocorticotropin hormone fr,:1-4	SYSM	486.1674	celiac toxic	Inhouse_peptide	NA	peptide
+FL1C1ANI0026	Isogemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-4,2',4'-trihydroxychalcone	C29H26O7	486.16785	189031-28-5	knapsack	NA	NA
+FL1C1ANI0027	Gemichalcone B;3'-(4-Coumaroyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone	C29H26O7	486.16785	189031-26-3	knapsack	NA	NA
+MJ071983	9,10-Dihydro-5-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-6-methoxy-1,2,7-phenanthrenetriol; 10'-Hydroxy 	C29H26O7	486.167853	NA	MeJP	NA	NA
+MJ071984	Gemichalcone A; Demethoxy 	C29H26O7	486.167853	NA	MeJP	NA	NA
+MJ071985	Marchantin C; 2',12-Dihydroxy, 7?-methoxy 	C29H26O7	486.167853	NA	MeJP	NA	NA
+PJ002512	SDEH 	C18H26N6O10	486.1711	NA	PeJP	NA	NA
+PJ002513	PCMH 	C19H30N6O5S2	486.1719	NA	PeJP	NA	NA
+MJ071986	5-(2-Propenyl)-1,2,4-benzenetriol; 1,2-Methylene ether, 4-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H30O12	486.173726	NA	MeJP	NA	NA
+MJ071987	Arbutin; 2-O-(5-O-Tigloyl-?-D-apiofuranosyl) 	C22H30O12	486.173726	NA	MeJP	NA	NA
+MJ071988	Antibiotic OF 4949; Antibiotic OF 4949I 	C23H26N4O8	486.175063	NA	MeJP	NA	NA
+MJ071989	Nocardicin C 	C23H26N4O8	486.175063	NA	MeJP	NA	NA
+C17351	Nocardicin C	C23H26N4O8	486.1751	NA	KEGG	NA	NA
+C17352	Isonocardicin C	C23H26N4O8	486.1751	NA	KEGG	NA	NA
+PJ002514	SSMY 	C20H30N4O8S	486.1784	NA	PeJP	NA	NA
+MJ071990	Haplodimerine 	C28H26N2O6	486.179086	NA	MeJP	NA	NA
+C10691	Haplodimerine	C28H26N2O6	486.1791	NA	KEGG	NA	NA
+MJ071991	Resormycin 	C21H31ClN4O7	486.188127	NA	MeJP	NA	NA
+FL1C1AGS0011	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside	C26H30O9	486.18898	597550-52-2	knapsack	NA	NA
+MJ071992	1,3,5,11,14-Pentahydroxy-12,19-dioxobufa-20,22-dienolide, 1,3,5-Orthoacetate 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071993	12-O-Acetyl-17-acetoxy-15-epicoleon Z 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071994	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, tri-Ac 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071995	6,14,15-Trihydroxy-8-drimen-12,11-olide, 6-(4-Hydroxybenzoyl), 14,15-Di-Ac 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071996	Kihadanin A 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071997	Physodic acid; 2-Hydroxy 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071998	Physodic acid; 4-Hydroxy 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ071999	Rutaevin 	C26H30O9	486.188982	NA	MeJP	NA	NA
+MJ072000	Vittatolic acid 	C26H30O9	486.188982	NA	MeJP	NA	NA
+C08779	Rutaevin	C26H30O9	486.189	NA	KEGG	NA	NA
+C11608	Nafenopin glucuronide	C26H30O9	486.189	NA	KEGG	NA	NA
+PJ002515	AEMH 	C19H30N6O7S	486.1897	NA	PeJP	NA	NA
+MJ072001	Antibiotic SF 2415A1 	C26H31ClN2O5	486.192149	NA	MeJP	NA	NA
+PJ002516	ACFF 	C24H30N4O5S	486.1937	NA	PeJP	NA	NA
+MJ072002	Strophanthobiose; Pyranose-form, 6'-?-D-Glucopyranosyl 	C19H34O14	486.194855	NA	MeJP	NA	NA
+MJ072003	2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Aspartic acid, 16-L-valine diamide 	C25H30N2O8	486.200215	NA	MeJP	NA	NA
+MJ072004	Chandrine 	C25H30N2O8	486.200215	NA	MeJP	NA	NA
+MJ072005	Kopsaporine; 11,12-Dimethoxy 	C25H30N2O8	486.200215	NA	MeJP	NA	NA
+MJ072006	Kopsidine A 	C25H30N2O8	486.200215	NA	MeJP	NA	NA
+FL3FRNNP0008	Artelastochromene;3,8-Dihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one	C30H30O6	486.20423	182052-09-1	knapsack	NA	NA
+MJ072007	Cycloheterophyllin; 2-Deoxy 	C30H30O6	486.204238	NA	MeJP	NA	NA
+MJ072008	Euchrenone b17 	C30H30O6	486.204238	NA	MeJP	NA	NA
+MJ072009	Euchrenone b18 	C30H30O6	486.204238	NA	MeJP	NA	NA
+MJ072010	Isoplagilin 	C30H30O6	486.204238	NA	MeJP	NA	NA
+MJ072011	Plagilin 	C30H30O6	486.204238	NA	MeJP	NA	NA
+MJ072012	Plagiolin 	C30H30O6	486.204238	NA	MeJP	NA	NA
+HMDB00585	Glucosylgalactosyl hydroxylysine	C18H34N2O13	486.206085	NA	HMDB2010	NA	NA
+HMDB00585	Glucosylgalactosyl hydroxylysine	C18H34N2O13	486.20609	http://www.hmdb.ca/metabolites/HMDB00585	HMDB	NA	NA
+HMDB00585	Glucosylgalactosyl hydroxylysine	C18H34N2O13	486.20609	HMDB00585	PFEM_hmdb_metabocards_official	NA	NA
+PJ002517	TTEH 	C19H30N6O9	486.2074	NA	PeJP	NA	NA
+PJ002518	GGPQE 	C19H30N6O9	486.2075	NA	PeJP	NA	NA
+PJ002519	GHHH 	C20H26N10O5	486.2088	NA	PeJP	NA	NA
+MJ072013	1-Hydroxy-5,10-dioxo-1,10:5,10-diseco-11(13)-eudesmen-12,8-olide, O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H34O11	486.210111	NA	MeJP	NA	NA
+MJ072014	3,4,15-Scirpenetriol, 15-Ac, 4-O-?-D-glucopyranoside 	C23H34O11	486.210111	NA	MeJP	NA	NA
+PJ002520	AAYY 	C24H30N4O7	486.2115	NA	PeJP	NA	NA
+MJ072015	Antibiotic LL-AB 664 	C18H30N8O8	486.218659	NA	MeJP	NA	NA
+MJ072016	Maculalactone E; 4-Deoxy 	C34H30O3	486.219494	NA	MeJP	NA	NA
+PJ002521	GPQW 	C23H30N6O6	486.2227	NA	PeJP	NA	NA
+MJ072017	7,9-Dihydroxy-3,3',4,4'-tetramethoxy-(8?9')-neolign-7'-ene, 9-O-(2-Hydroxymethyl-2-butenoyl)(Z-) 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072018	Angolensic acid; 6-Hydroxy, Me ester 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072019	Austalide I 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072020	Binankadsurin A; 7-O-(3-Methylbutanoyl) 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072021	Binankadsurin B; 4-O-De-Me, 2'-angeloyl 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072022	Carapin; 6R-Hydroxy, 3?-alcohol 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072023	Cneorin R 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072024	Haperforin E 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072025	Helinudifolin 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072026	Isogomisin O; 3-O-De-Me, 7-(2-methylbutanoyl) 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072027	Ivorensic acid; Me ester 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072028	Mexicanolide; 2?-Hydroxy, 3?-alcohol 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072029	Nimbin; 28-Parent acid, 2,3-dihydro, O-de-Ac 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072030	Olivetoric acid; O4-Me 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072031	Simarolide; 2-Deoxy, 3,4-didehydro 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072032	Strobilurin E; 9-Methoxy 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072033	Swietenolide 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072034	Veprisone 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072035	Verrucarin K 	C27H34O8	486.225368	NA	MeJP	NA	NA
+MJ072036	Xyloccensin K 	C27H34O8	486.225368	NA	MeJP	NA	NA
+PJ002522	SLMH 	C20H34N6O6S	486.2261	NA	PeJP	NA	NA
+MJ072037	Antibiotic CJ 12662; 8'a-Deoxy, deacetoxy 	C27H35ClN2O4	486.228535	NA	MeJP	NA	NA
+MJ072038	Pandangolide 4 	C24H38O8S	486.228738	NA	MeJP	NA	NA
+PJ002523	PLEE 	C21H34N4O9	486.2326	NA	PeJP	NA	NA
+PJ002524	PPHH 	C22H30N8O5	486.2339	NA	PeJP	NA	NA
+MJ072039	Alvimine 	C26H34N2O7	486.236601	NA	MeJP	NA	NA
+PJ002525	PNKE 	C20H34N6O8	486.2438	NA	PeJP	NA	NA
+MJ072040	Megacidin 	C24H38O10	486.246497	NA	MeJP	NA	NA
+MJ072041	Cylindrocarine, N-Cinnamoyl 	C30H34N2O4	486.251857	NA	MeJP	NA	NA
+PJ002526	SPQR 	C19H34N8O7	486.2551	NA	PeJP	NA	NA
+PJ002527	GPKW 	C24H34N6O5	486.2591	NA	PeJP	NA	NA
+MJ072042	1,2,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 2-(2-Methylpropanoyl), 1-Ac 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072043	1,2,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 2-butanoyl, 1-Ac 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072044	14,17,20,27-Tetrahydroxy-1-oxowitha-3,5,24-trienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072045	14,20-Epoxy-5,6,17-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072046	3-Hydroxycarda-14,16,20(22)-trienolide, 3-O-?-D-Xylopyranoside 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072047	4,14,17,20-Tetrahydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072048	4,14,20,27-Tetrahydroxy-1-oxowitha-2,5,24-trienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072049	5,6-Epoxy-4,14,15-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072050	5,6-Epoxy-4,18,20-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072051	5,6-Epoxy-4,7,20-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072052	6,7-Epoxy-5,12,27-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072053	6,7-Epoxy-5,12-dihydroxy-1-oxowitha-2,24-dienolide, 24S,25S-Epoxide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072054	6,7-Epoxy-5,14,17-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072055	6,7-Epoxy-5,16,17-trihydroxy-1-oxowitha-2,24-dienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072056	6,7-Epoxy-5-hydroxy-1-oxowitha-2,24-dienolide, 20?,27-Dihydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072057	7,18,20,27-Tetrahydroxy-1-oxowitha-2,4,24-trienolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072058	Acnistin E 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072059	Acnistin H 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072060	Bongkrekic acid 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072061	Eucalyptone 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072062	Hyperlatolic acid; 2'-Me ether 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072063	Isohyperlatolic acid; 2'-Me ether 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072064	Jaborosalactol M; 2,3-Didehydro, 26-ketone (lactone) 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072065	Nic 2; 17-Deoxy, 17-epimer, 12-oxo 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072066	Nicandrin B; 15?-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072067	Nicaphysalin B 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072068	Nicaphysalin D 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072069	Physanolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072070	Prasinic acid; O-De-Me 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072071	Prednisolone; 17-Pentanoyl, 21-Ac 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072072	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Benzoyl 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072073	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Benzoyl 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072074	Viscosalactone A 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072075	Withaferin A; 12?-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072076	Withajardin A 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072077	Withanolide D; 14?-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072078	Withanolide D; 17?-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072079	Withanolide D; 24S,25S-Epoxide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072080	Withanolide D; 27-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072081	Withanolide E 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072082	Withanolide Y 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072083	Withanone; 14?-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072084	Withanone; 14?-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072085	Withanone; 20-Hydroxy 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072086	Withaperuvin C 	C28H38O7	486.261753	NA	MeJP	NA	NA
+MJ072087	Withastramonolide 	C28H38O7	486.261753	NA	MeJP	NA	NA
+8129	peptide derived from dried bonito	VPSGK	486.267	anticancer	Inhouse_peptide	NA	peptide
+HMDB11156	PA(20:4(5Z,8Z,11Z,14Z)e/2:0)	C25H43O7P	486.274628	NA	HMDB2010	NA	NA
+MJ072088	Virgaurin A; Di-Me ether 	C32H38O4	486.277009	NA	MeJP	NA	NA
+PJ002528	PDKK 	C21H38N6O7	486.2802	NA	PeJP	NA	NA
+MJ072089	8,13-Labdadiene-2,6,15,17,19-pentol, 6-O-?-L-Arabinopyranoside 	C25H42O9	486.282882	NA	MeJP	NA	NA
+MJ072090	Glycerol 1-alkanoates; Glycerol 1-O-(7Z,10Z,13Z-hexadecatrienoate), 3-O-?-D-Galactopyranoside 	C25H42O9	486.282882	NA	MeJP	NA	NA
+MJ072091	1-Mercapto-5-undecen-3-ol; Disulfide, di-O-Ac 	C26H46O4S2	486.283751	NA	MeJP	NA	NA
+PJ002529	SPKR 	C20H38N8O6	486.2915	NA	PeJP	NA	NA
+CJneg0626	Chenodeoxyglycocholic acid [(M+Cl)]- (13C)	C2513CH43ClNO5	486.293125	C18rt(min)=8.86 Neg putatively characterized a	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0626	Chenodeoxyglycocholic acid [(M+Cl)]- (13C)	C2513CH43ClNO5	486.293125	C18rt(min)=8.86 Neg putatively characterized a	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C08176	Hydrocortisone cypionate	C29H42O6	486.2981	NA	KEGG	NA	NA
+C08177	Transferred to D00977	C29H42O6	486.2981	NA	KEGG	NA	NA
+MJ072092	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-(3-Cyclopentylpropanoyl) 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072093	3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072094	3,16,24,28-Tetrahydroxystigmasta-7,9(11)-dien-21,23-olide 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072095	3,8,9-Trihydroxy-7(11)-eremophilen-12,8-olide, 8-Me ether, 3-(5-methyl-2E,4E,6E-dodecatrienoyl) 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072096	4-Formyl-8a-[[(hexahydro-3,7-dimethyl-2H-furo[2,3-c]pyran-5-yl)oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylic acid 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072097	5-Labdene-15,16,18,19-tetrol, 16-(4-Hydroxycinnamoyl)(E-) 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072098	Isonahocol D1 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072099	Kendomycin 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072100	Nahocol A 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072101	Petuniolide E 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072102	Scalarolbutenolide; 12,16-Diepimer, 12-Ac 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072103	Tubelactomicin A 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072104	Withaferin A; 2,3-Dihydro, 3?-methoxy, 27-deoxy 	C29H42O6	486.298139	NA	MeJP	NA	NA
+MJ072105	Zosterdiol A; 1',4'-Di-de-Me, 5-Ac 	C29H42O6	486.298139	NA	MeJP	NA	NA
+PJ002530	GVRR 	C19H38N10O5	486.3027	NA	PeJP	NA	NA
+PJ002531	LLLE 	C23H42N4O7	486.3054	NA	PeJP	NA	NA
+MJ072106	Antibiotic M 9026; Antibiotic M 9026-1 	C28H42N2O5	486.309372	NA	MeJP	NA	NA
+MJ072107	Fenoxedil 	C28H42N2O5	486.309372	NA	MeJP	NA	NA
+MJ072108	Caryolanemagnolol 	C33H42O3	486.313395	NA	MeJP	NA	NA
+MJ072109	Clovanemagnolol 	C33H42O3	486.313395	NA	MeJP	NA	NA
+PJ002532	RRR 	C18H38N12O4	486.3139	NA	PeJP	NA	NA
+PJ002533	VLQK 	C22H42N6O6	486.3166	NA	PeJP	NA	NA
+MJ072110	13-Labdene-8,15,19-triol, 19-O-?-D-Glucopyranoside 	C26H46O8	486.319268	NA	MeJP	NA	NA
+MJ072111	14-Hydroxy-4,12-eicosadienoic acid; ?-D-Glucopyranosyl ester 	C26H46O8	486.319268	NA	MeJP	NA	NA
+MJ072112	27-Norcholestane-3,4,5,6,8,14,15,24-octol 	C26H46O8	486.319268	NA	MeJP	NA	NA
+MJ072113	8(17)-Labdene-6,15,19-triol, 15-O-?-D-Glucopyranoside 	C26H46O8	486.319268	NA	MeJP	NA	NA
+MJ072114	8-Hydroxy-15-labdanoic acid, 8-O-?-D-Glucopyranoside 	C26H46O8	486.319268	NA	MeJP	NA	NA
+MJ072115	Discarine F 	C27H42N4O4	486.320605	NA	MeJP	NA	NA
+MJ072116	Frangulanine; N-De-Me 	C27H42N4O4	486.320605	NA	MeJP	NA	NA
+MJ072117	Melonovine A 	C27H42N4O4	486.320605	NA	MeJP	NA	NA
+MJ072118	Myrianthine C 	C27H42N4O4	486.320605	NA	MeJP	NA	NA
+PJ002534	ALKR 	C21H42N8O5	486.3278	NA	PeJP	NA	NA
+C08972	Quillaic acid	C30H46O5	486.3345	NA	KEGG	NA	NA
+C17461	Alisol C	C30H46O5	486.3345	NA	KEGG	NA	NA
+C17764	Glabric acid	C30H46O5	486.3345	NA	KEGG	NA	NA
+MJ072119	1,11-Dihydroxy-3-oxo-20(29)-lupen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072120	1,3-Dihydroxy-23-oxocycloart-24-en-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072121	1,3-Dihydroxy-7-oxolanosta-8,24-dien-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072122	11,12-Epoxy-3,13,23-trihydroxy-28-oleananoic acid, 28?13-Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072123	12-Hydroxy-24-methyl-24-oxo-16-scalaren-25-al; 12?-form, 3-Hydroxybutanoyl 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072124	12-Oleanene-3,22,24,30-tetrol, 30-Carboxylic acid, 22-ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072125	14,15,18,19-Tetrahydro-26,28-dihydroxyspiroirida-15,19-dienal 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072126	14,15-Dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072127	16,23-Epoxy-2,3,20-trihydroxycucurbita-5,24-dien-11-one 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072128	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072129	17,23-Epoxy-3,29-dihydroxylanost-9-en-26,23-olide 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072130	19,21-Dihydroxy-30-nor-3-oxo-20(29)-friedelen-27-oic acid, Me ester 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072131	19,23-Dihydroxy-3-oxo-12-ursen-28-oic acid; 19?-form 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072132	19,29-Dihydroxy-3-oxo-12-oleanen-28-oic acid; 19?-form 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072133	2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072134	2,3,13,23-Tetrahydroxy-11-ursen-28-oic acid, 28?13 Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072135	2,3,13,24-Tetrahydroxy-11-ursen-28-oic acid, 28?13 Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072136	2,3,18-Trihydroxy-5,12-oleanadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072137	2,3,19-Trihydroxy-12-ursen-28-oic acid, 2-Ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072138	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072139	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 28?21 Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072140	2,3,23-Trihydroxy-11,13(18)-oleanadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072141	2,3,23-Trihydroxy-12,18-ursadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072142	2,3,23-Trihydroxy-12,19(29)-ursadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072143	2,3,23-Trihydroxy-12,20(30)-ursadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072144	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-Ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072145	2,3,23-Trihydroxy-5,12-oleanadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072146	2,3,24-Trihydroxy-11,13(18)-oleanadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072147	2,3,24-Trihydroxy-12,20(30)-ursadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072148	2,3,24-Trihydroxy-12,27-cyclo-14-taraxeren-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072149	2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-Aldehyde 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072150	2,3,24-Trihydroxy-13,27-cyclo-11-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072151	2,3,30-Trihydroxy-12-oleanen-28-oic acid, 30-Aldehyde 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072152	2,3-Dihydroxy-11-oxo-12-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072153	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072154	2,3-Dihydroxy-23-oxo-12-ursen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072155	20(29)-Lupene-3,23,28-triol; 3?-form, 23,28-Dicarboxylic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072156	20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072157	20,30-Dihydroxy-3-oxo-29,21-lupanolide 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072158	22,23-Dihydroxy-3-oxo-17,22-seco-12,16-oleanadien-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072159	22,25-Epoxy-24-methylfurost-5-ene-3,20-diol, 3-Ac 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072160	22-Hydroxy-3,21-dioxo-29-nor-24-friedelanoic acid; 22?-form, Me ester 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072161	23-Oxo-3,4-secolanosta-4(28),7-diene-3,26-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072162	24,25-Epoxy-1,29-dihydroxytirucall-7-ene-3,23-dione 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072163	24,25-Epoxy-11,23-dihydroxy-3-oxodammar-20(22)-en-19-al 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072164	24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072165	26-Hydroxy-13-oxaspiroirid-16-enal 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072166	27(13?18)-Abeo-3-hydroxy-14-taraxerene-28,29-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072167	3,11,19,20-Tetrahydroxy-13(18)-ursen-28-oic acid, 28?20 Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072168	3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Aldehyde 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072169	3,15,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?15 Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072170	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072171	3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?21-Lactone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072172	3,16,22,28-Tetrahydroxy-12,18-ursadien-24-al 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072173	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072174	3,16-Dihydroxy-23-oxo-13(18)-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072175	3,18-Dihydroxy-11-oxo-12-oleanen-30-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072176	3,19,24-Trihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072177	3,21,23-Trihydroxy-12-oleanen-28-oic acid, 23-Aldehyde 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072178	3,21,24-Trihydroxy-11,13(18)-oleanadien-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072179	3,21,24-Trihydroxy-9(11),12-oleanadien-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072180	3,21-Dihydroxy-11-oxo-12-oleanen-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072181	3,23,29-Trihydroxy-12-oleanen-28-oic acid; 3?-form, 23-Aldehyde 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072182	3,23-Dihydroxy-22-oxo-12-oleanen-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072183	3,23-Dihydroxy-30-oxo-12-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072184	3,24-Dihydroxy-11-oxo-12-oleanen-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072185	3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072186	3,24-Dihydroxy-16-oxo-12-oleanen-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072187	3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072188	3,25-Dihydroxyholost-9(11)-en-16-one 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072189	3,27-Dihydroxy-11-oxo-12-oleanen-28-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072190	3,27-Dihydroxy-20(29)-lupen-28-oic acid, 27-Carboxylic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072191	3,28-Dihydroxy-11-oxo-12-oleanen-30-oic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072192	3,29-Dihydroxy-12-oleanen-27-oic acid; 3?-form, 29-Carboxylic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072193	3,6,19-Trihydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072194	3-Hydroxy-12-oleanene-23,28-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072195	3-Hydroxy-12-oleanene-27,28-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072196	3-Hydroxy-12-oleanene-28,29-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072197	3-Hydroxy-12-oleanene-28,30-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072198	3-Hydroxy-12-ursene-23,28-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072199	3-Hydroxy-12-ursene-27,28-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072200	3-Hydroxy-13(18)-oleanene-27,28-dioic acid; 3?-form 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072201	3-Hydroxy-18-oleanene-27,28-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072202	3-Hydroxy-3,4-seco-4(24),12-oleanadiene-23,28-dioic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072203	5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 11-Ac 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072204	5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 22,23-Dihydro, 24,28-didehydro, 11-Ac 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072205	Acerinol 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072206	Acerionol 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072207	Alisol B; 16-Oxo 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072208	Belamcandal; O-de-Ac 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072209	Belamcandal; O-De-Ac 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072210	Ceanothic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072211	Celastolide 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072212	Cimiacerol 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072213	Cneorin NP32 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072214	Cneorin NP34 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072215	Cneorin NP38 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072216	Cordialin A 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072217	Cordifolin A 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072218	Geumonoid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072219	Glycyrrhiza Triterpene 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072220	Lantic acid; 22?-Hydroxy 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072221	Mimusopic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072222	Rosamultic acid 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072223	Sapelin C 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072224	Sapelin E 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072225	Skimmiarepin A; 3-Deacyl, 3-ketone 	C30H46O5	486.334524	NA	MeJP	NA	NA
+MJ072226	19,30-Tetratriacontadiene-2,4,6,17,33-pentayne-1,8,32-triol, 8-Deoxy 	C34H46O2	486.34978	NA	MeJP	NA	NA
+PJ002535	VLKK 	C23H46N6O5	486.353	NA	PeJP	NA	NA
+MJ072227	Batzelladine E 	C27H46N6O2	486.368224	NA	MeJP	NA	NA
+MJ072228	Dehydrobatzelladine C 	C27H46N6O2	486.368224	NA	MeJP	NA	NA
+MJ072229	1,3-Dihydroxy-24-methylenecycloartan-28-oic acid 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072230	2,3-Dihydroxy-12-oleanen-28-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072231	2,3-Dihydroxy-12-ursen-28-oic acid, 2-Me ether 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072232	2,3-Dihydroxy-12-ursen-28-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072233	24,25-Epoxy-3-hydroxylanost-9(11)-en-26-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072234	24-Methylenecycloart-25-ene-3,21,22,23-tetrol 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072235	3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072236	3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072237	3,19-Dihydroxy-12-ursen-28-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072238	3,22-Dihydroxy-12-oleanen-29-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072239	3,22-Dihydroxy-12-ursen-30-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072240	3,27-Dihydroxy-12-oleanen-28-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072241	3,27-Dihydroxy-20(29)-lupen-28-oic acid; 3?-form, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072242	3,30-Dihydroxy-12-oleanen-29-oic acid, Me ester 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072243	3,7,25-Trihydroxycucurbita-5,23-dien-19-al, 25-Me ether 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072244	5,19-Epoxycucurbita-6,23-diene-3,19,25-triol, 19-Me ether 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072245	5,19-Epoxycucurbita-6,23-diene-3,19,25-triol, 25-Me ether 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072246	7,26-Epoxy-2,7-dihydro-?-cycloirid-16-enal 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072247	Cyclamiretin C; 30-Me ether 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072248	Cyclamiretin C; O30-Me 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072249	Iripallidal 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072250	Piceanonol A; 21-Epimer, O3-de-Me, 3-ketone, 21-Me ether 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072251	Polyporenic acid A 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072252	Pterosin A, 4-O-Hexadecanoyl 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072253	Quercinic acid 	C31H50O4	486.37091	NA	MeJP	NA	NA
+MJ072254	3,20-Diaminopregnan-4-ol, N20,N20-Di-Me, N3-(3-methyl-2-butenoyl), O-Ac 	C30H50N2O3	486.382143	NA	MeJP	NA	NA
+MJ072255	3,20-Diaminopregnan-4-ol, N20,N20-Di-Me, N3-tigloyl, O-Ac 	C30H50N2O3	486.382143	NA	MeJP	NA	NA
+MJ072256	Buxidienine I; N20,N20-Di-Me, N3-(2-methylpropanoyl) 	C30H50N2O3	486.382143	NA	MeJP	NA	NA
+MJ072257	Cyclomicrophylline I; N-Tetra-Me, 31-Ac 	C30H50N2O3	486.382143	NA	MeJP	NA	NA
+MJ072258	15,22-Hopanediol; 15?-form, 15-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072259	16,22-Hopanediol; 16?-form, 16-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072260	17,21-Epoxy-3,16-hopanediol, 16-Et ether 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072261	20,24-Hopanediol; 20?-form, 20-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072262	25-Hydroxy-3,4-secocycloart-23-en-3-oic acid; 23E-form, 25-Me ether, Me ester 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072263	29-Hydroxy-18-methyl-4,27-hentriacontadiene-2,30-diynoic acid; 27,28-Dihydro 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072264	3,11-Ursanediol, 3-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072265	3,20-Lupanediol, 3-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072266	3,21-Friedelanediol, 21-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072267	3,22-Hopanediol, 3-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072268	3,22-Stictanediol, 3-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072269	3,29-Friedelanediol, 29-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072270	3,29-Friedelanediol, 3-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072271	3,4-Seco-4(23)-stictene-3,22-diol; 22?-form, 3-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072272	3-(4-Hydroxyphenyl)-2-propenoic acid, Tricosyl ester 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072273	6,22-Hopanediol; 6?-form, 6-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072274	7,22-Hopanediol, 7-Ac 	C32H54O3	486.407295	NA	MeJP	NA	NA
+MJ072275	Glycerol 1-alkanoates; Glycerol 1-(26-hydroxyhexacosanoate) 	C29H58O5	486.428424	NA	MeJP	NA	NA
+MJ072276	2,6,10-Farnesatrien-1-ol, 9-Octadecenoyl 	C33H58O2	486.443681	NA	MeJP	NA	NA
+MJ072277	24,25-Dimethyllanost-9(11)-ene-3,24-diol, 3-Me ether 	C33H58O2	486.443681	NA	MeJP	NA	NA
+MJ072278	7-Drimen-11-ol, O-(9-Octadecenoyl) 	C33H58O2	486.443681	NA	MeJP	NA	NA
+8300	ACE inhibitor	EKERERQ	486.74	MH2+	Inhouse_peptide	NA	peptide
+PJ002536	GCCCC 	C14H25N5O6S4	487.0688	NA	PeJP	NA	NA
+MJ072279	CDPcholine 	C15H27N3O11P2	487.112081	NA	MeJP	NA	NA
+C02555	Luciferyl sulfate	C26H21N3O5S	487.1202	NA	KEGG	NA	NA
+C02556	Mercurial reagent	C26H21N3O5S	487.1202	NA	KEGG	NA	NA
+MJ072280	Lamellarin H; 5,6-Dihydro, 9,20-di-Me ether 	C27H21NO8	487.126716	NA	MeJP	NA	NA
+MJ072281	Pancratistatin, O2-?-D-Glucopyranoside 	C20H25NO13	487.132589	NA	MeJP	NA	NA
+MJ072282	Rebeccamycin; Bis(dechloro), O-de-Me 	C26H21N3O7	487.13795	NA	MeJP	NA	NA
+PJ002537	CNDH 	C17H25N7O8S	487.1486	NA	PeJP	NA	NA
+MJ072283	Phosmidosine; 1''-N-Me 	C17H26N7O8P	487.158047	NA	MeJP	NA	NA
+C13760	YC 170	C28H26ClN3O3	487.1663	NA	KEGG	NA	NA
+PJ002538	GPPCD 	C19H29N5O8S	487.1737	NA	PeJP	NA	NA
+MJ072284	Spiruchostatin B 	C21H33N3O6S2	487.181077	NA	MeJP	NA	NA
+MJ072285	Crebanine, O9-De-Me, O-?-D-glucopyranoside 	C25H29NO9	487.184231	NA	MeJP	NA	NA
+PJ002539	SNMH 	C18H29N7O7S	487.1849	NA	PeJP	NA	NA
+MJ072286	Gymnastatin C; 7-Epimer, 10-deoxy, 9,10-didehydro 	C24H35Cl2NO5	487.189228	NA	MeJP	NA	NA
+MJ072287	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-L-rhamnose 	C18H33NO14	487.190104	NA	MeJP	NA	NA
+MJ072288	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose 	C18H33NO14	487.190104	NA	MeJP	NA	NA
+MJ072289	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose 	C18H33NO14	487.190104	NA	MeJP	NA	NA
+MJ072290	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose 	C18H33NO14	487.190104	NA	MeJP	NA	NA
+MJ072291	?-L-Fucopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?4)]-2-amino-2-deoxy-D-glucose 	C18H33NO14	487.190104	NA	MeJP	NA	NA
+MJ072292	?-L-Fucopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?3)]-2-amino-2-deoxy-D-glucose 	C18H33NO14	487.190104	NA	MeJP	NA	NA
+PJ002540	PNEE 	C19H29N5O10	487.1915	NA	PeJP	NA	NA
+C15674	Myxothiazol A	C25H33N3O3S2	487.1963	NA	KEGG	NA	NA
+MJ072293	Myxothiazole 	C25H33N3O3S2	487.196333	NA	MeJP	NA	NA
+MJ072294	Cardiopetamine; O15-Ac, 13-ketone 	C29H29NO6	487.199487	NA	MeJP	NA	NA
+PJ002541	GSSTH 	C18H29N7O9	487.2027	NA	PeJP	NA	NA
+PJ002542	GPEW 	C23H29N5O7	487.2067	NA	PeJP	NA	NA
+8052	synthetic peptide	PWW	487.21	antioxidative	Inhouse_peptide	NA	peptide
+PJ002543	GSPPM 	C20H33N5O7S	487.2101	NA	PeJP	NA	NA
+MJ072295	?-[4-(3H-Imidazo[4,5-c]pyridin-3-ylmethyl)-2,6-dipropylphenoxy]-1,3-benzodioxole-5-acetic acid 	C28H29N3O5	487.210721	NA	MeJP	NA	NA
+PJ002544	GQHF 	C22H29N7O6	487.218	NA	PeJP	NA	NA
+PJ002545	TCKH 	C19H33N7O6S	487.2213	NA	PeJP	NA	NA
+PJ002546	PWW 	C27H29N5O4	487.222	NA	PeJP	NA	NA
+PJ002547	SSPPT 	C20H33N5O9	487.2278	NA	PeJP	NA	NA
+MJ072296	Goralatide 	C20H33N5O9	487.227827	NA	MeJP	NA	NA
+PJ002548	PDKE 	C20H33N5O9	487.2279	NA	PeJP	NA	NA
+MJ072297	Antibiotic A 2315C 	C25H33N3O7	487.23185	NA	MeJP	NA	NA
+MJ072298	Pokepola ester 	C23H38NO8P	487.233503	NA	MeJP	NA	NA
+PJ002549	SPER 	C19H33N7O8	487.2391	NA	PeJP	NA	NA
+PJ002550	SPVW 	C24H33N5O6	487.2431	NA	PeJP	NA	NA
+PJ002551	PLQM 	C21H37N5O6S	487.2465	NA	PeJP	NA	NA
+PJ002552	GQQR 	C18H33N9O7	487.2503	NA	PeJP	NA	NA
+PJ002553	GKHF 	C23H33N7O5	487.2543	NA	PeJP	NA	NA
+MJ072299	Alkaloid GB11; 14-Me ether, O16-Ac 	C27H37NO7	487.257002	NA	MeJP	NA	NA
+MJ072300	Geyerinine 	C27H37NO7	487.257002	NA	MeJP	NA	NA
+MJ072301	Yuzurimine 	C27H37NO7	487.257002	NA	MeJP	NA	NA
+PJ002554	PCLR 	C20H37N7O5S	487.2577	NA	PeJP	NA	NA
+PJ002555	VLQE 	C21H37N5O8	487.2642	NA	PeJP	NA	NA
+EUR730	Lyso PC 14:1 [M+Na]+	C22H44NO7P	487.267488	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR730	Lyso PC 14:1 [M+Na]+	C22H44NO7P	487.267488	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR730	Lyso PC 14:1 [M+Na]+	C22H44NO7P	487.267488	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR730	Lyso PC 14:1 [M+Na]+	C22H44NO7P	487.267488	masses lipides attendues	Inhousejuil11	NA	NA
+MJ072302	Madumycin II; 13-Deoxy 	C26H37N3O6	487.268235	NA	MeJP	NA	NA
+EUR881	Lyso PE 20:4 [M-H-CH3]-	C25H44NO7P	487.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR881	Lyso PE 20:4 [M-H-CH3]-	C25H44NO7P	487.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR881	Lyso PE 20:4 [M-H-CH3]-	C25H44NO7P	487.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR881	Lyso PE 20:4 [M-H-CH3]-	C25H44NO7P	487.269892	masses lipides attendues	Inhousejuil11	NA	NA
+PJ002556	ALER 	C20H37N7O7	487.2755	NA	PeJP	NA	NA
+PJ002557	GLLW 	C25H37N5O5	487.2795	NA	PeJP	NA	NA
+PJ002558	PLKM 	C22H41N5O5S	487.2829	NA	PeJP	NA	NA
+PJ002559	GQKR 	C19H37N9O6	487.2867	NA	PeJP	NA	NA
+MJ072303	Nephilatoxin 11 	C24H37N7O4	487.290702	NA	MeJP	NA	NA
+7808	ACE inhibitor from caprine b-Lg	LVRT	487.3	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ072304	Amastatins; Amastatin B1 	C22H41N5O7	487.300598	NA	MeJP	NA	NA
+PJ002560	VLKE 	C22H41N5O7	487.3006	NA	PeJP	NA	NA
+MJ072305	Penoctonium(1+); Bromide 	C26H50BrNO2	487.302492	NA	MeJP	NA	NA
+MJ072306	Antibiotic Sch 58149 	C27H41N3O5	487.304621	NA	MeJP	NA	NA
+MJ072307	Beauveriolide I 	C27H41N3O5	487.304621	NA	MeJP	NA	NA
+MJ072308	Beauverolide H 	C27H41N3O5	487.304621	NA	MeJP	NA	NA
+MJ072309	Cordycepeptide A 	C27H41N3O5	487.304621	NA	MeJP	NA	NA
+MJ072310	Oteromycin 	C32H41NO3	487.308644	NA	MeJP	NA	NA
+MJ072311	Sulpinine B 	C32H41NO3	487.308644	NA	MeJP	NA	NA
+PJ002561	SLLR 	C21H41N7O6	487.3119	NA	PeJP	NA	NA
+PJ002562	GKKR 	C20H41N9O5	487.3231	NA	PeJP	NA	NA
+MJ072312	Ambruticin VS 5; N-Me 	C29H45NO5	487.329773	NA	MeJP	NA	NA
+MJ072313	Cassaine; O-(3-Methyl-2-butenoyl) 	C29H45NO5	487.329773	NA	MeJP	NA	NA
+MJ072314	Piericidin; Piericidin A4, 10'-Me ether, 11',12'-epoxide 	C29H45NO5	487.329773	NA	MeJP	NA	NA
+MJ072315	Spirost-5-ene-3,12,23-triol, 23-Ac 	C29H45NO5	487.329773	NA	MeJP	NA	NA
+MJ072316	3,5-Acarnidine; N-Dedodecanoyl, N-(5Z,8Z,11Z-tetradecatrienoyl) 	C28H49N5O2	487.388625	NA	MeJP	NA	NA
+MJ072317	2-Aminobenzoic acid; N-Docosanoyl, Et ester 	C31H53NO3	487.402544	NA	MeJP	NA	NA
+MJ072318	4-(2-Aminoethyl)phenol; N-Tetracosanoyl 	C32H57NO2	487.43893	NA	MeJP	NA	NA
+MetaCyc03698	chlordecone alcohol []	C10H2O1CL10	487.699092	NA	metacyc	NA	NA
+HMDB01219	Chlordecone alcohol	C10H2Cl10O	487.699097	NA	HMDB2010	NA	NA
+HMDB01219	Chlordecone alcohol	C10H2Cl10O	487.6991	http://www.hmdb.ca/metabolites/HMDB01219	HMDB	NA	NA
+C02817	Chlordecone alcohol	C10H2Cl10O	487.6991	NA	KEGG	NA	NA
+C02820	Complement factor B	C10H2Cl10O	487.6991	NA	KEGG	NA	NA
+HMDB01219	Chlordecone alcohol	C10H2Cl10O	487.6991	HMDB01219	PFEM_hmdb_metabocards_official	NA	NA
+MJ072319	Tiametonium(2+); Diiodide 	C12H30I2N2S	488.021906	NA	MeJP	NA	NA
+MJ072320	Iron(III) ammonium citrate 	C12H22FeN3O14	488.045119	NA	MeJP	NA	NA
+MJ072321	Oganomycin GH 	C17H20N4O7S3	488.049411	NA	MeJP	NA	NA
+MJ072322	Chicoric acid, 3-Me ether 	C23H20O12	488.095476	NA	MeJP	NA	NA
+MJ072323	Tetracenomycin C; 5-Hydroxy 	C23H20O12	488.095476	NA	MeJP	NA	NA
+C00307	CDP-choline	C14H26N4O11P2	488.1073	NA	KEGG	NA	NA
+MJ072324	Cytidine diphosphate choline 	C14H26N4O11P2	488.10733	NA	MeJP	NA	NA
+HMDB01413	Citicoline	C14H26N4O11P2	488.10733	NA	HMDB2010	NA	NA
+MJ072325	3,4,6,7-Tetrahydro-4,7,10,15,16-pentahydroxy-8-methoxy-3-methyl-1H-naphtho[2',3':6,7]phenanthro[3,2-c]pyran-1,9,14-trione; 4-Deoxy 	C27H20O9	488.110732	NA	MeJP	NA	NA
+MJ072326	Antibiotic WS 79089B; ?-Lactone 	C27H20O9	488.110732	NA	MeJP	NA	NA
+MJ072327	Protocercosporin 	C27H20O9	488.110732	NA	MeJP	NA	NA
+MJ072328	Tipifarnib 	C27H22Cl2N4O	488.117066	NA	MeJP	NA	NA
+MJ072329	Glicetanile 	C23H25ClN4O4S	488.128503	NA	MeJP	NA	NA
+MJ072330	Dendroamide A 	C21H24N6O4S2	488.130044	NA	MeJP	NA	NA
+FL3FA8GS0005	Echioidinin 2'-(6''-acetylglucoside);5,2'-Dihydroxy-7-methoxyflavone 2'-(6''-acetylglucoside);2-[2-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C24H24O11	488.13186	497918-32-8	knapsack	NA	NA
+FL3FABGS0008	Acacetin 7-(2''-acetylglucoside)	C24H24O11	488.13186	78886-64-3	knapsack	NA	NA
+FL3FABGS0013	Acacetin 7-(6''-acetylglucoside)	C24H24O11	488.13186	76410-61-2	knapsack	NA	NA
+FL3FCACS0006	Isoswertisin 2''-acetate	C24H24O11	488.13186	51693-99-3	knapsack	NA	NA
+FLID1CGS0004	Trifolirhizin 6'-monoacetate;6'-O-Acetyltrifolirhizin	C24H24O11	488.13186	60679-70-1	knapsack	NA	NA
+MJ072331	4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-(6-O-acetyl-?-D-glucopyranoside) 	C24H24O11	488.131861	NA	MeJP	NA	NA
+MJ072332	5,7-Dihydroxy-4'-methoxyflavone; 7-O-(2-O-Acetyl-?-D-glucopyranoside) 	C24H24O11	488.131861	NA	MeJP	NA	NA
+MJ072333	5,7-Dihydroxy-4'-methoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O11	488.131861	NA	MeJP	NA	NA
+MJ072334	Maackiain, O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O11	488.131861	NA	MeJP	NA	NA
+MJ072335	Phrymarolin II; 6'-Methoxy 	C24H24O11	488.131861	NA	MeJP	NA	NA
+MJ072336	Vitexin; 7-Me ether, 2''-Ac 	C24H24O11	488.131861	NA	MeJP	NA	NA
+C10737	Phrymarolin I	C24H24O11	488.1319	NA	KEGG	NA	NA
+PJ002563	CDDH 	C17H24N6O9S	488.1326	NA	PeJP	NA	NA
+MJ072337	Tralonide 	C24H28Cl2F2O4	488.133271	NA	MeJP	NA	NA
+PJ002564	TCCY 	C19H28N4O7S2	488.14	NA	PeJP	NA	NA
+MJ072338	2-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1,1',4-Tribenzoyl 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072339	Bisosthenon 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072340	Cassigarol A 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072341	Gnetuhainin D 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072342	Grandifloracin 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072343	Khelmarin B 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072344	Khelmarin D 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072345	?-Viniferin, 7R*,8R*-Dihydroxy, 7,8-dihydro 	C28H24O8	488.147117	NA	MeJP	NA	NA
+MJ072346	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C21H28O13	488.15299	NA	MeJP	NA	NA
+MJ072347	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C21H28O13	488.15299	NA	MeJP	NA	NA
+MJ072348	6-O-?-L-Rhamnopyranosyl-D-glucose; ?-Pyranose-form, 1-O-(3,4-Dihydroxycinnamoyl)(E-) 	C21H28O13	488.15299	NA	MeJP	NA	NA
+MJ072349	Evodoulone 	C26H29ClO7	488.16018	NA	MeJP	NA	NA
+MJ072350	Dracorubin 	C32H24O5	488.162373	NA	MeJP	NA	NA
+C09726	Dracorubin	C32H24O5	488.1624	NA	KEGG	NA	NA
+C04767	O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate	C14H29N6O11P	488.1632	NA	KEGG	NA	NA
+C04768	[Hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate	C4H7N2O6PR2	488.1632	NA	KEGG	NA	NA
+MJ072351	Bipinnatin B; 11,12-Deepoxy(Z-), 17-carboxylic acid, Me ester 	C25H28O10	488.168247	NA	MeJP	NA	NA
+MJ072352	Egonol; O-?-D-Glucopyranoside 	C25H28O10	488.168247	NA	MeJP	NA	NA
+MJ072353	Isovernozanzibarolide 	C25H28O10	488.168247	NA	MeJP	NA	NA
+MJ072354	Podorhizol, 5'-Methoxy, Ac 	C25H28O10	488.168247	NA	MeJP	NA	NA
+MJ072355	Vernozanzibarolide 	C25H28O10	488.168247	NA	MeJP	NA	NA
+PJ002565	SDMH 	C18H28N6O8S	488.169	NA	PeJP	NA	NA
+PJ002566	GCFY 	C23H28N4O6S	488.173	NA	PeJP	NA	NA
+MJ072356	6-Deoxy-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072357	?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-L-rhamnose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072358	?-D-Mannopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-L-rhamnose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072359	?-D-Mannopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-D-galactose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072360	?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-galactose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072361	Gracillimatriose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072362	Solatriose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072363	?-D-Galactopyranosyl-(1?2)-?-D-mannopyranosyl-(1?4)-L-rhamnose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072364	?-D-Galactopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-L-rhamnose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072365	?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-L-rhamnose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072366	?-D-Glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?2)-L-rhamnose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072367	?-D-Mannopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-D-galactose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072368	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?4)-D-glucose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072369	?-L-Fucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072370	?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-D-glucose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072371	?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-D-galactose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+MJ072372	?-L-Rhamnopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-D-glucose 	C18H32O15	488.17412	NA	MeJP	NA	NA
+HMDB02094	3-Fucosyllactose	C18H32O15	488.17413	http://www.hmdb.ca/metabolites/HMDB02094	HMDB	NA	NA
+HMDB02098	2-Fucosyllactose	C18H32O15	488.17413	http://www.hmdb.ca/metabolites/HMDB02098	HMDB	NA	NA
+HMDB06601	B-Trisaccharide	C18H32O15	488.17413	http://www.hmdb.ca/metabolites/HMDB06601	HMDB	NA	NA
+HMDB06620	Fucosyllactose	C18H32O15	488.17413	http://www.hmdb.ca/metabolites/HMDB06620	HMDB	NA	NA
+HMDB02094	3-Fucosyllactose	C18H32O15	488.17413	HMDB02094	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02098	2-Fucosyllactose	C18H32O15	488.17413	HMDB02098	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06601	B-Trisaccharide	C18H32O15	488.17413	HMDB06601	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06620	Fucosyllactose	C18H32O15	488.17413	HMDB06620	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02094	3-Fucosyllactose	C18H32O15	488.174133	NA	HMDB2010	NA	NA
+HMDB02098	2-Fucosyllactose	C18H32O15	488.174133	NA	HMDB2010	NA	NA
+HMDB06601	B-Trisaccharide	C18H32O15	488.174133	NA	HMDB2010	NA	NA
+HMDB06620	Fucosyllactose	C18H32O15	488.174133	NA	HMDB2010	NA	NA
+PJ002567	PDEE 	C19H28N4O11	488.1755	NA	PeJP	NA	NA
+MJ072373	11,12-Methylenedioxykopsinaline; 21-Hydroxy, N-methoxycarbonyl, N4-oxide 	C24H28N2O9	488.17948	NA	MeJP	NA	NA
+MJ072374	Israpafant 	C28H29ClN4S	488.180145	NA	MeJP	NA	NA
+MJ072375	Leucettamidine 	C25H24N6O5	488.180817	NA	MeJP	NA	NA
+MJ072376	Arenarin B 	C29H28O7	488.183503	NA	MeJP	NA	NA
+PJ002568	GSPND 	C18H28N6O10	488.1867	NA	PeJP	NA	NA
+PJ002569	AMMH 	C19H32N6O5S2	488.1876	NA	PeJP	NA	NA
+MJ072377	2-Methoxy-4-(2-propenyl)phenol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H32O12	488.189376	NA	MeJP	NA	NA
+PJ002570	GSYY 	C23H28N4O8	488.1907	NA	PeJP	NA	NA
+MJ072378	Biphenomycin A 	C23H28N4O8	488.190713	NA	MeJP	NA	NA
+PJ002571	NNNQ 	C17H28N8O9	488.1979	NA	PeJP	NA	NA
+PJ002572	GGGGNQ 	C17H28N8O9	488.198	NA	PeJP	NA	NA
+MJ072379	O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate 	C15H33N6O10P	488.199577	NA	MeJP	NA	NA
+PJ002573	GEHF 	C22H28N6O7	488.202	NA	PeJP	NA	NA
+C08768	Ichangin	C26H32O9	488.2046	NA	KEGG	NA	NA
+C16717	Limonoate D-ring-lactone	C26H32O9	488.2046	NA	KEGG	NA	NA
+C16718	Limonoate A-ring-lactone	C26H32O9	488.2046	NA	KEGG	NA	NA
+MJ072380	3,3',4,4',5,9,9'-Heptahydroxylignan, 3',4'-Methylene, 3,4,5-tri-Me ether, 9,9'-di-Ac 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072381	Bryotoxin B 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072382	Butyrylmallotolerin 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072383	Estra-1,3,5(10)-triene-3,16,17-triol, 16,17-Bis(3-carboxypropanoyl) 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072384	Ichangin 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072385	Isolimonic acid; 16?17-Lactone 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072386	Isomallotolerin 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072387	Obacunol; 7-Ketone, 1,2-dihydro, 1?,11?-dihydroxy 	C26H32O9	488.204632	NA	MeJP	NA	NA
+MJ072388	Terretonin 	C26H32O9	488.204632	NA	MeJP	NA	NA
+PJ002574	TTMH 	C19H32N6O7S	488.2053	NA	PeJP	NA	NA
+PJ002575	GGGAPM 	C19H32N6O7S	488.2054	NA	PeJP	NA	NA
+3374	ACE inhibitor (from bovine as1-CN)	PFPE	488.214	celiac toxic	Inhouse_peptide	NA	peptide
+MJ072389	Kopsinaline; 11,12-Dimethoxy, N-(methoxycarbonyl), N4-oxide 	C25H32N2O8	488.215866	NA	MeJP	NA	NA
+PJ002576	PCNR 	C18H32N8O6S	488.2166	NA	PeJP	NA	NA
+PJ002577	HFW 	C26H28N6O4	488.2172	NA	PeJP	NA	NA
+FL2FA9NC0011	Epilumaflavanone B;Lumaflavanone A	C30H32O6	488.21988	424838-51-7	knapsack	NA	NA
+FL2FA9NC0012	Epilumaflavanone A;Lumaflavanone B	C30H32O6	488.21988	424838-72-2	knapsack	NA	NA
+FL2FACNP0005	Amorin	C30H32O6	488.21988	119347-09-0	knapsack	NA	NA
+FL2FALNP0007	Flemichin A	C30H32O6	488.21988	54302-59-9	knapsack	NA	NA
+FL2FALNP0014	Euchrenone a11	C30H32O6	488.21988	137319-40-5	knapsack	NA	NA
+FL2FALNP0015	Euchrenone a12	C30H32O6	488.21988	137319-41-6	knapsack	NA	NA
+FL3FALNP0009	Rubraflavone D	C30H32O6	488.21988	54835-66-4	knapsack	NA	NA
+FL3FALNP0019	(-)-Sanggenone K;Sanggenone K;(-)-5,7-Dihydroxy-2-[5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-8-yl]-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H32O6	488.21988	86450-77-3	knapsack	NA	NA
+FL3FRNNR0004	Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one	C30H32O6	488.21988	182052-05-7	knapsack	NA	NA
+FL5FA9NP0003	Dorsilurin C;2-(2,2-Dimethyl-2H-1-benzopyran-7-yl)-3,5,7-trihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H32O6	488.21988	254101-15-0	knapsack	NA	NA
+MJ072390	Amorin 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072391	Artelastin 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072392	Dorsilurin C 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072393	Euchrenone a11 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072394	Euchrenone a12 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072395	Euchrenone b16 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072396	Flemichin A 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072397	Flemiphilippinin A 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072398	Fruticolide 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072399	Isoamorin 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072400	Kanzonol L 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072401	Rubraflavone D 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072402	Sanggenon J 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072403	Sanggenon K 	C30H32O6	488.219888	NA	MeJP	NA	NA
+MJ072404	Vardenafil 	C23H32N6O4S	488.220574	NA	MeJP	NA	NA
+PJ002578	VNQE 	C19H32N6O9	488.2231	NA	PeJP	NA	NA
+8245	Antioxidative peptide	GWNI	488.2269	NA  ;SYN:(+)-Aspartate; (+)-Aspartic acid; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminosuccinic acid; (S)-Aminobutanedioate; (S)-Aminobutanedioic acid; (S)-Aspartate; (S)-Aspartic acid; (S)-amino-Butanedioate; (S)-amino-Butanedioic acid; 2-Amino-3-methylsuccinate; 2-Amino-3-methylsuccinic acid; 2-Aminosuccinate; 2-Aminosuccinic acid; Aminosuccinate;  Asp; Asparagate; Asparagic acid; Asparaginate; Asparaginic acid; Asparatate; Aspartate; H-Asp-OH; L-(+)-Aspartate; L-(+)-Aspartic acid; L-Aminosuccinate; L-Aminosuccinic acid; L-Asparagate; L-Asparagic acid; L-Asparaginate; L-Asparaginic acid; L-Aspartate; alpha-Aminosuccinate; alpha-Aminosuccinic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ072405	Cepaciachelin 	C24H32N4O7	488.227099	NA	MeJP	NA	NA
+PJ002579	PPEF 	C24H32N4O7	488.2271	NA	PeJP	NA	NA
+PJ002580	PLEM 	C21H36N4O7S	488.2305	NA	PeJP	NA	NA
+MJ072406	Tetraphyllicine; N-De-Me, O-(3,4,5-trimethoxybenzoyl) 	C29H32N2O5	488.231122	NA	MeJP	NA	NA
+PJ002581	GQER 	C18H32N8O8	488.2343	NA	PeJP	NA	NA
+PJ002582	GGGGGGK 	C18H32N8O8	488.2344	NA	PeJP	NA	NA
+8081	synthetic peptide	RWQ	488.238	inhibitor	Inhouse_peptide	NA	peptide
+PJ002583	GVQW 	C23H32N6O6	488.2384	NA	PeJP	NA	NA
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR458	Dehydrotestosterone glucuronide F3	NA	488.240575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR458	Dehydrotestosterone glucuronide F3	NA	488.240575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR458	Dehydrotestosterone glucuronide F3	NA	488.240575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR458	Déhydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR458	Dehydrotestosterone glucuronide F3	NA	488.240575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR458	Dehydrotestosterone glucuronide F3	F3	488.240575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ072407	2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 13,14-di-Ac 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072408	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-Tigloyl, 6-Ac 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072409	2,9,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 2-Propanoyl, 9,14-di-Ac 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072410	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Tigloyl, 12-Ac 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072411	8,10,11-Trihydroxy-3-guaien-12,6-olide, 8,11-Diangeloyl, 10-Ac 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072412	8-Daucene-2,4,6,10-tetrol, 6-(4-Methoxybenzoyl), 2,10-di-Ac 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072413	Clausenolide; 1-Et ether 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072414	Cryptochlorophaeic acid; 4,4'-Di-Me ether 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072415	Entilin A 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072416	Prednicarbate 	C27H36O8	488.241018	NA	MeJP	NA	NA
+MJ072417	Simarinolide 	C27H36O8	488.241018	NA	MeJP	NA	NA
+PJ002584	PNKM 	C20H36N6O6S	488.2417	NA	PeJP	NA	NA
+MJ072418	Cyclo(phenylalanylprolylphenylalanylprolyl) 	C28H32N4O4	488.242355	NA	MeJP	NA	NA
+MJ072419	Roccanin 	C28H32N4O4	488.242355	NA	MeJP	NA	NA
+HMDB02421	7-Sulfocholic acid	C24H40O8S	488.24438	http://www.hmdb.ca/metabolites/HMDB02421	HMDB	NA	NA
+HMDB02421	7-Sulfocholic acid	C24H40O8S	488.24438	HMDB02421	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02421	7-Sulfocholic acid	C24H40O8S	488.244385	NA	HMDB2010	NA	NA
+MJ072420	1,21-Heneicosanediol; Di-O-sulfate 	C21H44O8S2	488.247759	NA	MeJP	NA	NA
+MJ072421	Antibiotic TMC 89A 	C21H36N4O9	488.248228	NA	MeJP	NA	NA
+PJ002585	VLEE 	C21H36N4O9	488.2483	NA	PeJP	NA	NA
+MJ072422	Pyroglutamylglycylargininylphenylalaninamide; L-L-L-L-form 	C22H32N8O5	488.249566	NA	MeJP	NA	NA
+PJ002586	QRW 	C22H32N8O5	488.2496	NA	PeJP	NA	NA
+MJ072423	Ajmaline; 21-O-?-D-Glucopyranoside 	C26H36N2O7	488.252251	NA	MeJP	NA	NA
+2607	synthetic peptide inhibitors of (PEP)	LYPFVEPI	488.2565	MH2+	Inhouse_peptide	NA	peptide
+PJ002587	VNKE 	C20H36N6O8	488.2595	NA	PeJP	NA	NA
+MJ072424	3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol, O-[3,5-Isopropylidene-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O10	488.262147	NA	MeJP	NA	NA
+MJ072425	4,7-Megastigmadien-9-ol, O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O10	488.262147	NA	MeJP	NA	NA
+MJ072426	Antibiotic MR 387A; 4-Deoxy 	C25H36N4O6	488.263484	NA	MeJP	NA	NA
+PJ002588	PPLY 	C25H36N4O6	488.2635	NA	PeJP	NA	NA
+PJ002589	GKER 	C19H36N8O7	488.2707	NA	PeJP	NA	NA
+PJ002590	GVKW 	C24H36N6O5	488.2747	NA	PeJP	NA	NA
+C13358	Hydrocortisone butyrate propionate	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13359	Transferred to D01887	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13360	Transferred to D01888	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13361	Transferred to D01889	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13362	Transferred to D01890	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13363	Transferred to D01891	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13364	Transferred to D01892	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13365	Transferred to D01893	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13366	Transferred to D01894	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13367	Transferred to D01895	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13368	Transferred to D01896	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13369	Transferred to D01897	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13370	Transferred to D01898	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13371	Transferred to D01899	C28H40O7	488.2774	NA	KEGG	NA	NA
+C13372	Transferred to D01900	C28H40O7	488.2774	NA	KEGG	NA	NA
+MJ072427	1-Oxo-14,17,20,22-tetrahydroxy-2,5-ergostadien-26,28-olide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072428	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 17-Butanoyl, 21-propanoyl 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072429	12,20-Epoxy-3-hydroxy-14,17-pregn-5-ene-11,15-dione, 3-O-(2-Deoxy-3-O-methyl-D-fucoside) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072430	14,20-Epoxy-5,6,27-trihydroxy-1-oxowith-24-enolide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072431	3,14,17,20-Tetrahydroxy-1-oxo-5,24-withadienolide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072432	3,14,20,27-Tetrahydroxy-1-oxo-5,24-withadienolide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072433	4,5,6,27-Tetrahydroxy-1-oxowith-24-enolide, 2,3-Didehydro 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072434	5,6,14,17-Tetrahydroxy-1-oxowitha-2,24-dienolide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072435	5,6,21,27-Tetrahydroxy-1-oxowitha-2,24-dienolide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072436	5,6,7,12-Tetrahydroxy-1-oxowitha-2,24-dienolide 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072437	5,9,12,13-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072438	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-L-fucopyranoside) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072439	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(2-Acetyl-?-L-fucopyranoside) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072440	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(3-Acetyl-?-L-fucopyranoside) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072441	8,10,12,14-Epiamphilectatetraene-9,10-diol, 9-O-(4-Acetyl-?-L-fucopyranoside) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072442	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Tigloyl, 12-Ac 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072443	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072444	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-Hexanoyl, 13-Ac 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072445	Acnistin F 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072446	Amebucort 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072447	Anhydrohirundigenin; 3-O-(2,6-Dideoxy-3-O-methyl-D-arabino-hexopyranoside) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072448	Ixocarpanolide; 14?-Hydroxy 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072449	Jabormagellone 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072450	Jaborosalactol M; 2,3-Didehydro 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072451	Jaborosalactol M; 26-Ketone (lactone) 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072452	Jaborosalactol N 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072453	Jaborosalactone F 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072454	Nic 11 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072455	Nic 2 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072456	Nicalbin A 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072457	Nicaphysalin A 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072458	Pregnane-3,8,12,14,17,20-hexol, 12-O-Benzoyl 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072459	Viscosalactone B 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072460	Withanolide E; 2,3-Dihydro 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MJ072461	Withaphysacarpin 	C28H40O7	488.277403	NA	MeJP	NA	NA
+MetaCyc03699	phorbol 12,13-dibutanoate []	C28H40O7	488.277404	NA	metacyc	NA	NA
+MJ072462	Protomethine; 18-Oxo, N9-E-cinnamoyl 	C29H36N4O3	488.278741	NA	MeJP	NA	NA
+PJ002591	GTRR 	C18H36N10O6	488.282	NA	PeJP	NA	NA
+MJ072463	Amastatins; Amastatin A3 	C22H40N4O8	488.284614	NA	MeJP	NA	NA
+MJ072464	Amastatins; Amastatin B2 	C22H40N4O8	488.284614	NA	MeJP	NA	NA
+PJ002592	KRW 	C23H36N8O4	488.286	NA	PeJP	NA	NA
+MJ072465	N-Acetylphenylalanyl-N-[4-[(aminoiminomethyl)amino]-1-boronobutyl]-N2-cyclopentylglycinamide 	C23H37BN6O5	488.291848	NA	MeJP	NA	NA
+PJ002593	VDKK 	C21H40N6O7	488.2959	NA	PeJP	NA	NA
+MJ072466	Melofoline 	C26H40N4O5	488.29987	NA	MeJP	NA	NA
+MJ072467	Mucronine E 	C26H40N4O5	488.29987	NA	MeJP	NA	NA
+PJ002594	PLLF 	C26H40N4O5	488.2999	NA	PeJP	NA	NA
+PJ002595	LLLM 	C23H44N4O5S	488.3033	NA	PeJP	NA	NA
+PJ002596	SVKR 	C20H40N8O6	488.3071	NA	PeJP	NA	NA
+MJ072468	11,15(17)-Trinervitadiene-3,9,13-triol, 3,9,13-Tripropanoyl 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072469	2,3,20,22-Tetrahydroxycholesta-4,7-dien-6-one, 22-Ac 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072470	2,3-Seco-24-nor-12-ursene-2,3,28-trioic acid 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072471	24,25-Epoxy-16-scalarene-12,19,25-triol, 12,19-Di-Ac 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072472	24,25-Epoxy-17(24)-scalarene-12,16,25-triol, 16,25-Di-Ac 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072473	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,3-Dideoxy-?-L-rhamnopyranoside) 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072474	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,3-Dideoxy-?-L-rhamnopyranoside) 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072475	Albertic acid 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072476	Brachycarpone 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072477	Eucosterol; 16?-Hydroxy 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072478	Nahocol A; 12'-Alcohol 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072479	Pectinoacetal A 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072480	Polygalic acid 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072481	Pregna-5,20-dien-3-ol, 3-O-(4-O-Acetyl-?-L-fucopyranoside) 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072482	Pseudolarolide J 	C29H44O6	488.313789	NA	MeJP	NA	NA
+MJ072483	Dithermamine 	C30H40N4O2	488.315126	NA	MeJP	NA	NA
+MJ072484	Eudeshonokiol A 	C33H44O3	488.329045	NA	MeJP	NA	NA
+MJ072485	Eudeshonokiol B 	C33H44O3	488.329045	NA	MeJP	NA	NA
+MJ072486	Eudesmagnolol 	C33H44O3	488.329045	NA	MeJP	NA	NA
+PJ002597	TLKK 	C22H44N6O6	488.3323	NA	PeJP	NA	NA
+MJ072487	Gephyronic acid 	C26H48O8	488.334918	NA	MeJP	NA	NA
+MJ072488	1,2,3-Trihydroxy-12-ursen-23-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072489	1,2,3-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072490	1,3,11-Trihydroxygorgost-5-en-18-al, 18-Carboxylic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072491	1,3,23-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072492	1,3,24-Trihydroxycycloart-25-en-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072493	1,3,25-Trihydroxycycloart-23-en-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072494	11,13(18)-Oleanadiene-3,16,23,28,30-pentol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072495	12,15-Oleanadiene-3,21,22,24,28-pentol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072496	12-Oleanene-3,11,16,23,28-pentol, 11-Ketone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072497	12-Oleanene-3,15,16,22,28-pentol, 3-Ketone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072498	12-Oleanene-3,16,21,22,28-pentol, 22-Ketone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072499	12-Oleanene-3,16,21,22,28-pentol, 28-Aldehyde 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072500	12-Oleanene-3,16,21,22,28-pentol, 3-Ketone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072501	12-Oleanene-3,16,28,29-tetrol, 29-Carboxylic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072502	14-Serratene-3,21,24,30-tetrol, 24-Carboxylic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072503	16,24:20,24-Diepoxycycloartane-3,7,25-triol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072504	2,3,16-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072505	2,3,18-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072506	2,3,19-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072507	2,3,19-Trihydroxy-12-oleanen-29-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072508	2,3,19-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072509	2,3,21-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072510	2,3,23-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072511	2,3,23-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072512	2,3,23-Trihydroxy-20(29)-lupen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072513	2,3,24-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072514	2,3,24-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072515	2,3,6-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072516	2,3,6-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072517	2,3,6-Trihydroxy-20(29)-lupen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072518	20,24-Epoxy-3,16,25-trihydroxycycloartan-12-one 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072519	20,24-Epoxy-3,16,25-trihydroxycycloartan-6-one 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072520	20,24-Epoxy-3,25-dihydroxy-5-cucurbiten-11-one, 16?-Hydroxy 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072521	20,24-Epoxy-6,16,25-trihydroxycycloartan-3-one 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072522	24,25-Epoxy-16,24-dihydroxy-20,24-dimethyl-12-scalaranone, 24-Me ether, 16-Ac 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072523	3,11,20-Trihydroxy-24-dammarene-2,23-dione 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072524	3,11,23-Trihydroxy-20(29)-lupen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072525	3,15,16-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072526	3,15,26-Trihydroxylanosta-8,24-dien-21-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072527	3,16,20,21-Tetrahydroxy-28-lupanoic acid, 28?21 Lactone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072528	3,16,21-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072529	3,16,23-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072530	3,16,28-Trihydroxy-12-oleanen-30-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072531	3,19,23-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072532	3,19,23-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072533	3,19,24-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072534	3,19,24-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072535	3,19-Epoxydammara-20(22),25-diene-3,11,23,24-tetrol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072536	3,19:17,24:20,24-Triepoxydammarane-3,25-diol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072537	3,19:24,25-Diepoxydammar-20(22)-ene-3,11,23-triol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072538	3,20,21,22-Tetrahydroxy-28-lupanoic acid, 28?21 Lactone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072539	3,20,21,24-Tetrahydroxy-14-serraten-16-one 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072540	3,20,23,27-Tetrahydroxy-28-taraxastanoic acid, 28?20 Lactone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072541	3,21,23-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072542	3,21,24-Trihydroxy-12-oleanen-29-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072543	3,21,30-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072544	3,22,24-Trihydroxy-12-oleanen-29-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072545	3,23,24-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072546	3,23,29-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072547	3,24,29,30-Tetrahydroxy-12-oleanen-22-one 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072548	3,25-Epoxy-6-oleanene-13,16,27,28-tetrol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072549	3,6,19-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072550	3,6,23-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072551	3,6,23-Trihydroxy-12-ursen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072552	3,6,24-Trihydroxy-12-oleanen-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072553	3,7,11-Trihydroxyurs-12-en-28-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072554	3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072555	3,7,22-Trihydroxylanosta-8,24-dien-26-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072556	3-Hydroxy-27,29-friedelanedioic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072557	4,23-Dihydroxy-22-oxo-3,4-seco-12-oleanen-3-oic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072558	4-Hydroxy-3,4-seco-12-oleanene-3,28-dioic acid; 5àH-form 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072559	5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 22,23-Dihydro, 11-Ac 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072560	7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Ketone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072561	Alisol B; 13?,17?-Epoxide 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072562	Alisol F 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072563	Ananasic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072564	Anhydrocrustulinol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072565	Cimigenol; 15-Epimer 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072566	Cycloorbigenin 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072567	Dahurinol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072568	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 18-Ac 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072569	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 24R,28-Dihydro, 22,23-didehydro, 18-Ac 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072570	Escigenin 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072571	Gouanogenin B 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072572	Hovenolactone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072573	Isodahurinol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072574	Melianotriol; 3-Ketone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072575	Orthosphenic acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072576	Sipholenone C 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072577	Sodwanone D 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072578	Sodwanone O 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072579	Toosendantriol 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072580	Trevoagenin D 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072581	Yardenone 	C30H48O5	488.350174	NA	MeJP	NA	NA
+MJ072582	rofuric acid 	C30H48O5	488.350174	NA	MeJP	NA	NA
+C08617	Asiatic acid	C30H48O5	488.3502	NA	KEGG	NA	NA
+C17538	Cimigenol	C30H48O5	488.3502	NA	KEGG	NA	NA
+MJ072583	Baleabuxidine I; N20-Me, N3-(2-methylpropanoyl) 	C29H48N2O4	488.361408	NA	MeJP	NA	NA
+C14673	Cholesta-5,7-dien-3beta-ol benzoate	C34H48O2	488.3654	NA	KEGG	NA	NA
+MJ072584	Buxamine I; N20,N20-Di-Me, N3-benzoyl 	C33H48N2O	488.376664	NA	MeJP	NA	NA
+MJ072585	Batzelladine C 	C27H48N6O2	488.383874	NA	MeJP	NA	NA
+MJ072586	?-Agatoxin AG 488 	C27H49N6O2(+)	488.383874	NA	MeJP	NA	NA
+MJ072587	1-Docosanol; 3,4-Dihydroxycinnamoyl(E-) 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072588	16,22-Dihydroxy-23-hopanoic acid, Me ester 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072589	3,22-Dihydroxy-29-hopanoic acid, Me ester 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072590	5,14:7,8-Diepoxy-5-marasmanol, Hexadecanoyl 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072591	Alnustic acid 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072592	Argentatine C 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072593	Piceanonol A 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072594	Tirucall-7-ene-3,23,24,25-tetrol, 3-Ketone, 25-Me ether 	C31H52O4	488.38656	NA	MeJP	NA	NA
+MJ072595	2,29-Diamino-5,9,11,14,17,20-triacontahexaene-3,8,28-triol 	C30H52N2O3	488.397793	NA	MeJP	NA	NA
+MJ072596	2-(4-Hydroxyphenyl)ethanol; 1-O-Tetracosanoyl 	C32H56O3	488.422945	NA	MeJP	NA	NA
+MJ072597	Capiquinones; Capiquinone I 	C32H56O3	488.422945	NA	MeJP	NA	NA
+MJ072598	7-Drimen-11-ol, O-Octadecanoyl 	C33H60O2	488.459331	NA	MeJP	NA	NA
+MJ072599	2-Methyl-4,5-ditridecyl-1,4-cyclohexadiene-1-methanol 	C34H64O	488.495716	NA	MeJP	NA	NA
+3659	NA	ITDFQILE	488.74695	MH2+	Inhouse_peptide	NA	peptide
+MJ072600	Purealidin J 	C15H17Br2N5O4	488.964729	NA	MeJP	NA	NA
+MJ072601	Purealidin M 	C15H17Br2N5O4	488.964729	NA	MeJP	NA	NA
+MJ072602	6-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; 6-O-?-D-Glucopyranoside 	C22H19NO12	489.090725	NA	MeJP	NA	NA
+MJ072603	Talmetacin 	C27H20ClNO6	489.097915	NA	MeJP	NA	NA
+MJ072604	3-[1-[4-(5-Chloro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)butyl]-4-piperidinyl]-2(3H)-benzoxazolone 	C23H24ClN3O5S	489.112519	NA	MeJP	NA	NA
+MJ072605	CMP-N-trimethyl-2-aminoethylphosphonate 	C14H27N4O11P2	489.115155	NA	MeJP	NA	NA
+MetaCyc03700	CDP-choline [citicoline;citicholine;cidifos;cyticholine;cytidine 5'-diphosphocholine;cytidine diphosphate choline;]	C14H27N4O11P2	489.115156	987-78-0	metacyc	NA	NA
+HMDB01413	Citicoline	C14H27N4O11P2	489.11517	http://www.hmdb.ca/metabolites/HMDB01413	HMDB	NA	NA
+HMDB01413	Citicoline	C14H27N4O11P2	489.11517	HMDB01413	PFEM_hmdb_metabocards_official	NA	NA
+MJ072606	3-Hydroxy-1H-indole-2-thiol; SH-form, O,S-Di-?-D-glucopyranoside 	C20H27NO11S	489.130481	NA	MeJP	NA	NA
+MJ072607	1-Hydroxy-5-methoxy-6-methyl-2(1H)-pyridinone; Al complex (3:1) 	C21H24AlN3O9	489.132792	NA	MeJP	NA	NA
+MJ072608	2-Amino-6-(1,2,3,4,5-pentahydroxypentyl)-4(1H)-pteridinone; 2'-O-?-D-Glucuronoside 	C17H23N5O12	489.134321	NA	MeJP	NA	NA
+MJ072609	Polyoxin O 	C17H23N5O12	489.134321	NA	MeJP	NA	NA
+PJ002598	CCQH 	C17H27N7O6S2	489.1464	NA	PeJP	NA	NA
+PJ002599	GACCH 	C17H27N7O6S2	489.1465	NA	PeJP	NA	NA
+PJ002600	GSSCH 	C17H27N7O8S	489.1642	NA	PeJP	NA	NA
+MJ072610	N-Benzyl-N-[3-(pyrazol-3-yl)benzyl]-N'-[2,4-bis(methylthio)-6-methylpyridin-3-yl]urea 	C26H27N5OS2	489.165701	NA	MeJP	NA	NA
+PJ002601	GSPDD 	C18H27N5O11	489.1707	NA	PeJP	NA	NA
+PJ002602	APPCC 	C19H31N5O6S2	489.1716	NA	PeJP	NA	NA
+PJ002603	NNNE 	C17H27N7O10	489.182	NA	PeJP	NA	NA
+PJ002604	CCKH 	C18H31N7O5S2	489.1828	NA	PeJP	NA	NA
+MJ072611	Altemicidin; 5'-N-(2S-Amino-3S-methylpentanoyl) 	C19H31N5O8S	489.189333	NA	MeJP	NA	NA
+PJ002605	PNEM 	C19H31N5O8S	489.1894	NA	PeJP	NA	NA
+PJ002606	GNNW 	C21H27N7O7	489.1972	NA	PeJP	NA	NA
+MJ072612	Menoxymycin B 	C25H31NO9	489.199881	NA	MeJP	NA	NA
+MJ072613	Ryanodine; 10-Deoxy, 9,10-didehydro, 8-oxo 	C25H31NO9	489.199881	NA	MeJP	NA	NA
+PJ002607	PCDR 	C18H31N7O7S	489.2006	NA	PeJP	NA	NA
+PJ002608	GPMW 	C23H31N5O5S	489.2046	NA	PeJP	NA	NA
+PJ002609	VNEE 	C19H31N5O10	489.2071	NA	PeJP	NA	NA
+MJ072614	Antibiotic OA 6129E 	C21H35N3O8S	489.214485	NA	MeJP	NA	NA
+C17376	OA-6129 E	C21H35N3O8S	489.2145	NA	KEGG	NA	NA
+MJ072615	Cardiopetamine; O15-Ac 	C29H31NO6	489.215137	NA	MeJP	NA	NA
+PJ002610	NNDK 	C18H31N7O9	489.2183	NA	PeJP	NA	NA
+PJ002611	GEER 	C18H31N7O9	489.2184	NA	PeJP	NA	NA
+8072	synthetic peptide	RWE	489.222	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002612	GVEW 	C23H31N5O7	489.2224	NA	PeJP	NA	NA
+PJ002613	PDKM 	C20H35N5O7S	489.2257	NA	PeJP	NA	NA
+PJ002614	SNNR 	C17H31N9O8	489.2296	NA	PeJP	NA	NA
+PJ002615	ERW 	C22H31N7O6	489.2336	NA	PeJP	NA	NA
+MJ072616	Alkaloid GB11; 13?-Acetoxy 	C26H35NO8	489.236267	NA	MeJP	NA	NA
+PJ002616	SPMR 	C19H35N7O6S	489.237	NA	PeJP	NA	NA
+PJ002617	VWW 	C27H31N5O4	489.2376	NA	PeJP	NA	NA
+PJ002618	VDKE 	C20H35N5O9	489.2435	NA	PeJP	NA	NA
+8274	Antioxidative peptide	LPTSEAAKY	489.244	MH2+	Inhouse_peptide	NA	peptide
+8277	Anticancer peptide	LPTSEAAKY	489.244	MH2+	Inhouse_peptide	NA	peptide
+PJ002619	SVER 	C19H35N7O8	489.2547	NA	PeJP	NA	NA
+MJ072617	Mycalamide A; 13-O-De-Me 	C23H39NO10	489.257396	NA	MeJP	NA	NA
+PJ002620	ATLW 	C24H35N5O6	489.2588	NA	PeJP	NA	NA
+PJ002621	VLQM 	C21H39N5O6S	489.2621	NA	PeJP	NA	NA
+MJ072618	Sanjoinenine 	C29H35N3O4	489.262756	NA	MeJP	NA	NA
+7658	ACE inhibitor from as2-CN (174-811)	FALPQYLK	489.27	MH2+	Inhouse_peptide	NA	peptide
+8151	peptide derived from bovine aS2-casein (174û181)	FALPQYLK	489.27	MH2+	Inhouse_peptide	NA	peptide
+PJ002622	APFR 	C23H35N7O5	489.27	NA	PeJP	NA	NA
+MJ072619	Delpheline; 2,3-Didehydro, Ac 	C27H39NO7	489.272652	NA	MeJP	NA	NA
+MJ072620	Migrastatin 	C27H39NO7	489.272652	NA	MeJP	NA	NA
+MJ072621	Tubasenecine 	C27H39NO7	489.272652	NA	MeJP	NA	NA
+PJ002623	ALMR 	C20H39N7O5S	489.2734	NA	PeJP	NA	NA
+PJ002624	TLKE 	C21H39N5O8	489.2799	NA	PeJP	NA	NA
+EUR675	Lyso PC 14:0 [M+Na]+	C22H46NO7P	489.283138	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR675	Lyso PC 14:0 [M+Na]+	C22H46NO7P	489.283138	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR675	Lyso PC 14:0 [M+Na]+	C22H46NO7P	489.283138	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR675	Lyso PC 14:0 [M+Na]+	C22H46NO7P	489.283138	masses lipides attendues	Inhousejuil11	NA	NA
+EUR876	Lyso PE 20:3 [M-H-CH3]-	C25H46NO7P	489.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR876	Lyso PE 20:3 [M-H-CH3]-	C25H46NO7P	489.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR876	Lyso PE 20:3 [M-H-CH3]-	C25H46NO7P	489.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR876	Lyso PE 20:3 [M-H-CH3]-	C25H46NO7P	489.285542	masses lipides attendues	Inhousejuil11	NA	NA
+PJ002625	TTLR 	C20H39N7O7	489.2911	NA	PeJP	NA	NA
+PJ002626	PVKF 	C25H39N5O5	489.2951	NA	PeJP	NA	NA
+PJ002627	VLKM 	C22H43N5O5S	489.2985	NA	PeJP	NA	NA
+C15687	Borrelidin	C28H43NO6	489.309	NA	KEGG	NA	NA
+MJ072622	Borrelidin 	C28H43NO6	489.309038	NA	MeJP	NA	NA
+MJ072623	Hapalosin 	C28H43NO6	489.309038	NA	MeJP	NA	NA
+MJ072624	Oxysporidinone 	C28H43NO6	489.309038	NA	MeJP	NA	NA
+MJ072625	Protoverbine; N9-E-Cinnamoyl, N14-(iminomethyl) 	C29H39N5O2	489.310375	NA	MeJP	NA	NA
+MJ072626	Protoverbine; N9-Z-Cinnamoyl, N14-(iminomethyl) 	C29H39N5O2	489.310375	NA	MeJP	NA	NA
+MJ072627	Caledonin 	C26H43N5O2S	489.313746	NA	MeJP	NA	NA
+PJ002628	SKKK 	C21H43N7O6	489.3275	NA	PeJP	NA	NA
+MJ072628	AAL Toxin; AAL Toxin TA1, 4,5-Dideoxy 	C25H47NO8	489.330167	NA	MeJP	NA	NA
+MJ072629	AAL Toxin; AAL Toxin TA2, 4,5-Dideoxy 	C25H47NO8	489.330167	NA	MeJP	NA	NA
+MJ072630	3,6,14-Cevanetriol, 3-Ac, N-oxide 	C29H47NO5	489.345423	NA	MeJP	NA	NA
+MJ072631	Solaphyllidine 	C29H47NO5	489.345423	NA	MeJP	NA	NA
+MJ072632	Emindole PA 	C33H47NO2	489.360679	NA	MeJP	NA	NA
+MJ072633	Agel 505; 4-Deoxy 	C26H47N7O2	489.379123	NA	MeJP	NA	NA
+3401	NA	YPVQPFTE	489.725	MH2+	Inhouse_peptide	NA	peptide
+MJ072634	Russuphelin C; 1,4-Di-Me ether 	C20H14Cl4O6	489.954449	NA	MeJP	NA	NA
+C08075	Oxiconazole nitrate	C18H13Cl4N3O	489.9769	NA	KEGG	NA	NA
+FL3FECNSS009	6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate	C17H14O13S2	489.98758	111509-39-8	knapsack	NA	NA
+FL5FCENSS002	Ombuin 3,3'-di-O-sulfate	C17H14O13S2	489.98758	79174-99-5	knapsack	NA	NA
+MJ072635	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3,3'-Di-O-sulfate 	C17H14O13S2	489.987581	NA	MeJP	NA	NA
+MJ072636	4',5,7-Trihydroxy-3',6-dimethoxyflavone; 4',7-Di-O-sulfate 	C17H14O13S2	489.987581	NA	MeJP	NA	NA
+MJ072637	Mirabimide E 	C18H26Cl4N2O5	490.059582	NA	MeJP	NA	NA
+MJ072638	3-Indolylmethyl glucosinolate; N-Ac 	C18H22N2O10S2	490.071586	NA	MeJP	NA	NA
+MJ072639	Cefamandoleyl 	C19H18N6O6S2	490.072923	NA	MeJP	NA	NA
+MJ072640	Isoplagiochin C; 12,14'-Dichloro 	C28H20Cl2O4	490.073864	NA	MeJP	NA	NA
+MJ072641	Isoplagiochin C; 6',8'-Dichloro 	C28H20Cl2O4	490.073864	NA	MeJP	NA	NA
+MJ072642	Ellagic acid; 2,3-Methylene, 7-Me ether, 8-O-?-D-glucopyranoside 	C22H18O13	490.07474	NA	MeJP	NA	NA
+MJ072643	Bacillosporin C 	C26H18O10	490.089996	NA	MeJP	NA	NA
+MJ072644	Madurahydroxylactone 	C26H18O10	490.089996	NA	MeJP	NA	NA
+PJ002629	CCCY 	C18H26N4O6S3	490.1015	NA	PeJP	NA	NA
+FL1A3CGS0002	Maritimetin 6-(6''-acetylglucoside)	C23H22O12	490.11112	134955-56-9	knapsack	NA	NA
+FL3FACCS0008	Orientin 2''-acetate	C23H22O12	490.11112	71880-89-2	knapsack	NA	NA
+FL3FACCS0009	Isoorientin 2''-acetate;2''-O-Acetylisoorientin	C23H22O12	490.11112	131508-00-4	knapsack	NA	NA
+FL3FACCS0010	Orientin 6''-acetate;6''-O-Acetylorientin	C23H22O12	490.11112	112160-04-0	knapsack	NA	NA
+FL3FACCS0057	Isoorientin 6''-O-acetate	C23H22O12	490.11112	-	knapsack	NA	NA
+FL3FACGS0055	Luteolin 7-(6''-acetylglucoside)	C23H22O12	490.11112	60355-68-2	knapsack	NA	NA
+FL3FAFGS0002	Luteolin 3',4'-dimethyl ether 7-glucuronide	C23H22O12	490.11112	74514-36-6	knapsack	NA	NA
+FL3FEAGS0022	Pectolinarigenin 7-glucuronide	C23H22O12	490.11112	70938-60-2	knapsack	NA	NA
+FL3FEAGS0033	Scutellarein 6,7-dimethyl ether 4'-glucuronide;4-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid	C23H22O12	490.11112	149947-23-9	knapsack	NA	NA
+FL3FEAGS0047	Hispidulin 7-methylglucuronide;5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid methyl ester	C23H22O12	490.11112	168207-86-1	knapsack	NA	NA
+FL3FF8GS0002	5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide	C23H22O12	490.11112	112408-70-5	knapsack	NA	NA
+FL3FFAGS0009	Isoscutellarein 8,4'-dimethyl ether 7-glucuronide	C23H22O12	490.11112	-	knapsack	NA	NA
+FL5FAAGL0061	Kaempferol 3-(6''-acetylglucoside);6''-O-Acetylastragalin	C23H22O12	490.11112	118169-27-0	knapsack	NA	NA
+FL5FAAGS0007	Kaempferol 3-(6''-ethylglucuronide)	C23H22O12	490.11112	93753-27-6	knapsack	NA	NA
+FL5FACGS0048	Quercetin 3-(3''-acetylrhamnoside)	C23H22O12	490.11112	69120-15-6	knapsack	NA	NA
+FL5FACGS0049	Quercetin 3-(4''-acetylrhamnoside)	C23H22O12	490.11112	69120-16-7	knapsack	NA	NA
+FL5FACGS0092	Quercetin 3-(2''-acetylrhamnoside);Quercitryl-2'' acetate;3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C23H22O12	490.11112	61891-39-2	knapsack	NA	NA
+FL5FECGS0069	Viviparum B;3,3'-Dihydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone 3-xyloside;6-(3-Hydroxy-4-methoxyphenyl)-9-methoxy-7-(beta-D-xylopyranosyloxy)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one	C23H22O12	490.11112	340970-66-3	knapsack	NA	NA
+FLIAACCS0003	Orobol 8-C-(6''-acetylglucoside)	C23H22O12	490.11112	118949-93-2	knapsack	NA	NA
+FLIAACCS0004	Orobol 6-C-(6''-acetylglucoside)	C23H22O12	490.11112	118949-91-0	knapsack	NA	NA
+FLIAECGS0001	Iriflogenin 4'-O-glucoside;Irifloside	C23H22O12	490.11112	52591-09-0	knapsack	NA	NA
+FLIAECGS0007	Dalspinin 7-O-galactoside	C23H22O12	490.11112	98568-73-1	knapsack	NA	NA
+MJ072645	1,4,5-Naphthalenetriol; 4-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072646	2',5,6,7-Tetrahydroxyflavone; 6-Me ether, 7-O-?-D-glucuronopyranoside, Me ester 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072647	2',5,7,8-Tetrahydroxyflavone; 2',8-Di-Me ether, 7-O-?-D-glucuronoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072648	3',4',5,6,7-Pentahydroxyisoflavone; 3'-Me, 6,7-methylene ether, 4'-O-?-D-glucopyranoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072649	3',4',5,6,7-Pentahydroxyisoflavone; 6-Me, 3',4'-methylene ether, 7-O-?-D-galactopyranoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072650	3',4',5,7-Tetrahydroxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072651	3',4',6,7-Tetrahydroxyaurone; 6-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072652	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronoside, Et ester 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072653	4',5,7,8-Tetrahydroxyflavone; 4',8-Di-Me ether, 7-O-?-D-glucuronopyranoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072654	4',5-Dihydroxy-6,7-dimethoxyflavone; 4'-O-?-D-Glucuronopyranoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072655	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-O-(6-Acetyl-?-D-glucopyranoside) 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072656	5,6,7,8-Tetrahydroxyflavone; 6,8-Di-Me ether, 7-O-?-D-glucuronoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072657	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside, Me ester 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072658	5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucuronoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072659	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Galacturonopyranoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072660	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072661	6-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 6''-O-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072662	8-Glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone; 6''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072663	Astragalin; 6''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072664	Astragalin; Mono-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072665	Isoorientin; 2''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072666	Isoorientin; O''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072667	Orientin; 2''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072668	Orientin; 6''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072669	Quercitrin; 2''-O-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072670	Quercitrin; 3''-O-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072671	Quercitrin; 4''-O-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072672	Trifolin; 2''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072673	Trifolin; 6''-Ac 	C23H22O12	490.111126	NA	MeJP	NA	NA
+MJ072674	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(4-O-Acetyl-?-D-glucopyranoside) 	C23H23O12(+)	490.111126	NA	MeJP	NA	NA
+C05560	L-2-Aminoadipate adenylate	C16H23N6O10P	490.1213	NA	KEGG	NA	NA
+MJ072675	L-2-Aminoadipate adenylate 	C16H23N6O10P	490.121327	NA	MeJP	NA	NA
+HMDB06941	L-2-Aminoadipate adenylate	C16H23N6O10P	490.121338	NA	HMDB2010	NA	NA
+MJ072676	Precercosporin 	C27H22O9	490.126382	NA	MeJP	NA	NA
+MJ072677	Indometacin; 4-(Acetylamino)phenyl ester 	C27H23ClN2O5	490.129549	NA	MeJP	NA	NA
+PJ002630	CCEH 	C17H26N6O7S2	490.1305	NA	PeJP	NA	NA
+MJ072678	Dolastatin E 	C21H26N6O4S2	490.145694	NA	MeJP	NA	NA
+FL3FCFCS0001	Isoorientin 7,3',4'-trimethyl ether;3',4',7-Tri-O-methylisoorientin;2-(3,4-Dimethoxyphenyl)-6-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C24H26O11	490.14751	4261-30-7	knapsack	NA	NA
+FL3FCFGS0001	Lethedoside A;Luteolin 7,3',4'-trimethyl ether 5-glucoside;2-(3,4-Dimethoxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-methoxy-4H-1-benzopyran-4-one	C24H26O11	490.14751	221289-20-9	knapsack	NA	NA
+FL3FEAGS0027	Scutellarein 6,7,4'-trimethyl ether 5-glucoside	C24H26O11	490.14751	57877-95-9	knapsack	NA	NA
+FL3FF8GS0003	5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside	C24H26O11	490.14751	113963-41-0	knapsack	NA	NA
+FL5FCFGS0002	Quercetin 7,3',4'-trimethyl ether 3-rhamnoside	C24H26O11	490.14751	34286-87-8	knapsack	NA	NA
+FLIA1LGS0001	7-Hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside	C24H26O11	490.14751	-	knapsack	NA	NA
+FLIA2CGS0003	Cladrastin 7-O-glucoside	C24H26O11	490.14751	59183-50-5	knapsack	NA	NA
+FLIAEAGS0007	5-Methoxyafrormosin 7-O-glucoside	C24H26O11	490.14751	64656-92-4	knapsack	NA	NA
+MJ072679	1,11,15-Trihydroxy-2,13-clerodadiene-16,15:17,12:18,19-triolide, 1,11-Di-Ac 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072680	2',4',5',7-Tetrahydroxyisoflavone; 2',4',5'-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072681	2',5,7,8-Tetrahydroxyflavone; 2',7,8-Tri-Me ether, 5-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072682	3',4',6,7-Tetrahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072683	3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-?-L-Rhamnopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072684	4',5,6,7-Tetrahydroxyflavone; 4',5,6-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072685	4',5,6,7-Tetrahydroxyflavone; 5,6,7-Tri-Me ether, 4'-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072686	4',5,6,7-Tetrahydroxyisoflavone; 4',5,6-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072687	4',5,7,8-Tetrahydroxyisoflavone; 4',5,8-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072688	5-Hydroxy-3',4',7-trimethoxyflavone; 5-O-?-D-Glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072689	5-Hydroxy-4',6,7-trimethoxyflavone; 5-O-?-D-Glucopyranoside 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072690	Isoorientin; 3',4',7-Tri-Me ether 	C24H26O11	490.147511	NA	MeJP	NA	NA
+MJ072691	Khellactone, 10-O-(4-Hydroxycinnamoyl), 9-O-(3-methyl-2-butenoyl), 	C28H26O8	490.162767	NA	MeJP	NA	NA
+MJ072692	Khellactone, 10-O-(4-Hydroxycinnamoyl), 9-angeloyl 	C28H26O8	490.162767	NA	MeJP	NA	NA
+MJ072693	Stypandrol; 3,3'-Dimethoxy 	C28H26O8	490.162767	NA	MeJP	NA	NA
+MJ072694	Vaginidiol; 3'-O-(3-Methyl-2-butenoyl), 1''-O-(4-hydroxycinnamoyl) 	C28H26O8	490.162767	NA	MeJP	NA	NA
+MJ072695	Picrasidine M 	C29H22N4O4	490.164105	NA	MeJP	NA	NA
+MJ072696	Picrasidine N 	C29H22N4O4	490.164105	NA	MeJP	NA	NA
+PJ002631	NNDE 	C17H26N6O11	490.166	NA	PeJP	NA	NA
+MJ072697	Ircinin 1; O-sulfate 	C25H30O8S	490.166138	NA	MeJP	NA	NA
+MJ072698	Ircinin 1; O-Sulfate 	C25H30O8S	490.166138	NA	MeJP	NA	NA
+PJ002632	TCMH 	C18H30N6O6S2	490.1668	NA	PeJP	NA	NA
+MJ072699	7-Chloro-2-[2-[3-[[7-[2-(1H-tetrazol-5-yl)ethyl]-1H-indol-1-yl]methyl]phenyl]ethenyl]quinoline 	C29H23ClN6	490.167272	NA	MeJP	NA	NA
+MJ072700	Bentiamine 	C26H26N4O4S	490.167476	NA	MeJP	NA	NA
+MJ072701	10-Hydroxyloganic acid; 7,10-Di-Ac, Me ester 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072702	2',4',6'-Trihydroxy-3'-methylacetophenone; 6'-Me ether, 4'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072703	2',4',6'-Trihydroxyacetophenone; 2',4'-Di-Me ether, 6'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072704	2',4',6'-Trihydroxyacetophenone; 4'-Me ether, 2'-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072705	6-Hydroxyloganin; 6,7-Di-Ac 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072706	6-O-(3,4-Dihydroxycinnamoyl)glucose; ?-D-Pyranose-form, 2,3,4,5-Tetrahydroxyhexyl glycoside 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072707	Shanzhiside; 6,8-Di-Ac, Me ester 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072708	Sweroside; 6'-O-?-D-Apiofuranosyl 	C21H30O13	490.168641	NA	MeJP	NA	NA
+MJ072709	Teuhircoside; 5-O-Rhamnoside 	C21H30O13	490.168641	NA	MeJP	NA	NA
+C14123	BMS-268770	C23H30N4O4S2	490.1708	NA	KEGG	NA	NA
+C14124	Transferred to D02285	C23H30N4O4S2	490.1708	NA	KEGG	NA	NA
+PJ002633	PDEM 	C19H30N4O9S	490.1734	NA	PeJP	NA	NA
+PJ002634	GNDW 	C21H26N6O8	490.1812	NA	PeJP	NA	NA
+FL2FCBGM0001	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside	C25H30O10	490.18389	85687-90-7	knapsack	NA	NA
+MJ072710	2,6,8-Trihydroxy-4(15),11(13)-elemadiene-3,1:12,9-diolide, 8-Angeloyl, 6-(2,3-epoxy-2-methylbutanoyl) 	C25H30O10	490.183897	NA	MeJP	NA	NA
+MJ072711	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4',7-Di-Me ether, 5-O-?-D-galactopyranoside 	C25H30O10	490.183897	NA	MeJP	NA	NA
+MJ072712	5,6,8-Trihydroxy-28-norisotoonafolin, 12?-Hydroxy 	C25H30O10	490.183897	NA	MeJP	NA	NA
+MJ072713	Brachycalyxolide; 8-Deacyl, 8-(2-methyl-2-propenoyl) 	C25H30O10	490.183897	NA	MeJP	NA	NA
+MJ072714	Cachineside I; 7-O-Cinnamoyl 	C25H30O10	490.183897	NA	MeJP	NA	NA
+MJ072715	Salprotoside 	C25H30O10	490.183897	NA	MeJP	NA	NA
+MJ072716	Scoloposide C 	C25H30O10	490.183897	NA	MeJP	NA	NA
+PJ002635	GSPCQ 	C18H30N6O8S	490.1846	NA	PeJP	NA	NA
+PJ002636	VDEE 	C19H30N4O11	490.1911	NA	PeJP	NA	NA
+FL1DA9NC0008	Piperaduncin A	C29H30O7	490.19915	155023-54-4	knapsack	NA	NA
+FL2FA9NR0004	8-Prenyllepidissipyrone	C29H30O7	490.19915	122616-68-6	knapsack	NA	NA
+MJ072717	3-(4-Hydroxyphenyl)-5-methoxy-6-(3-methyl-2-butenyl)-3-(2-oxopropyl)-4H,8H-benzo[1,2-b:3',4'-b]dipyran-2,4(3H)-dione 	C29H30O7	490.199153	NA	MeJP	NA	NA
+MJ072718	Lepidissipyrone; 8-(3-Methyl-2-butenyl) 	C29H30O7	490.199153	NA	MeJP	NA	NA
+MJ072719	Piperaduncin A 	C29H30O7	490.199153	NA	MeJP	NA	NA
+PJ002637	GMHF 	C22H30N6O5S	490.1999	NA	PeJP	NA	NA
+3273	NA	GRGDS	490.2019	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002638	SQQE 	C18H30N6O10	490.2024	NA	PeJP	NA	NA
+PJ002639	PPDY 	C23H30N4O8	490.2064	NA	PeJP	NA	NA
+PJ002640	SNDR 	C17H30N8O9	490.2136	NA	PeJP	NA	NA
+PJ002641	GTQW 	C22H30N6O7	490.2176	NA	PeJP	NA	NA
+CJpos0809	Ketoretinoic acid Glucuronide (and isomers) [(M+H)]+	C26H35O9	490.219775	C18rt(min)=8.85 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0809	Ketoretinoic acid Glucuronide (and isomers) [(M+H)]+	C26H35O9	490.219775	C18rt(min)=8.85 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ072720	1,2,3,6,11-Pentahydroxy-16-kauren-15-one, 6-Ketone, 2,3,11-tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072721	1,3,5,14,16-Pentahydroxy-19-oxobufa-20,22-dienolide, 3-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072722	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9-di-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072723	11,12-Epoxy-2,3,14-trihydroxy-5,8(17)-briaradien-18,7-olide, Tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072724	16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 1,7,11-tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072725	16-Kaurene-1,3,6,7,11,15-hexol, 6,15-Diketone, 3,7,11-tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072726	19-Acetoxycoleon Q; 6-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072727	2(3?20)-Abeo-2,5,7,13-tetrahydroxy-4(20),11-taxadiene-9,10-dione, 2,5,13-Tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072728	2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072729	3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4',5-Tetra-Me ether, 9,9'-di-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072730	3,4-Epoxy-5,9,14-trihydroxy-7,11,15(17)-cembratrien-16,2-olide, Tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072731	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-6,19,20-triol, Tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072732	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 12-Ketone, 3,6,19-tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072733	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 11-Ketone, 1,6,15-tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072734	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; Tri-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072735	Austalide B; 19?-Hydroxy 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072736	Bryophyllin B 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072737	Coleon R 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072738	Crocetin, Mono-?-D-glucopyranosyl ester 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072739	Havannahine; 1,19-Deepoxy 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072740	Myricanol; 11-O-?-D-Xylopyranoside 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072741	Nomilinic acid; O-De-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072742	Rabdoepigibberellolide 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MJ072743	Shikokianoic acid; 6-Aldehyde, 11-Ac 	C26H34O9	490.220282	NA	MeJP	NA	NA
+MetaCyc03701	deoxylimononic acid D-ring-lactone []	C26H34O9	490.220283	NA	metacyc	NA	NA
+C04251	Deoxylimononic acid D-ring-lactone	C26H34O9	490.2203	NA	KEGG	NA	NA
+C04253	Electron-transferring flavoprotein	C26H34O9	490.2203	NA	KEGG	NA	NA
+CJneg0627	Ketoretinoic acid Glucuronide (and isomers) [(M-H)]-	C26H33O9	490.220825	C18rt(min)=8.85 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0627	Ketoretinoic acid Glucuronide (and isomers) [(M-H)]-	C26H33O9	490.220825	C18rt(min)=8.85 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002642	VNQM 	C19H34N6O7S	490.221	NA	PeJP	NA	NA
+MJ072744	Glimepiride 	C24H34N4O5S	490.22499	NA	MeJP	NA	NA
+C07669	Glimepiride	C24H34N4O5S	490.225	NA	KEGG	NA	NA
+PJ002643	PPMF 	C24H34N4O5S	490.225	NA	PeJP	NA	NA
+MJ072745	Murrastifoline D 	C32H30N2O3	490.225642	NA	MeJP	NA	NA
+PJ002644	TLEE 	C20H34N4O10	490.2275	NA	PeJP	NA	NA
+PJ002645	PLMM 	C21H38N4O5S2	490.2284	NA	PeJP	NA	NA
+PJ002646	PTHH 	C21H30N8O6	490.2289	NA	PeJP	NA	NA
+MJ072746	Niludipine 	C25H34N2O8	490.231516	NA	MeJP	NA	NA
+PJ002647	GQMR 	C18H34N8O6S	490.2322	NA	PeJP	NA	NA
+FL2FACNP0002	Amorinin	C30H34O6	490.23553	83677-05-8	knapsack	NA	NA
+FL2FACNP0006	Amoridin	C30H34O6	490.23553	119347-05-6	knapsack	NA	NA
+FL2FACNP0011	Tanariflavanone B;5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanone	C30H34O6	490.23553	352276-81-4	knapsack	NA	NA
+FL2FALNP0016	Euchrenone a6	C30H34O6	490.23553	125140-21-8	knapsack	NA	NA
+FL3FALNI0011	Rubraflavone C	C30H34O6	490.23553	54835-67-5	knapsack	NA	NA
+FL3FALNI0012	Moralbanone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-4H-1-benzopyran-4-one	C30H34O6	490.23553	554403-01-9	knapsack	NA	NA
+FL3FALNI0014	Artocommunol CD;2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H34O6	490.23553	502627-56-7	knapsack	NA	NA
+FL3FALNI0016	Artelasticin;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3,6,8-tris(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H34O6	490.23553	182052-13-7	knapsack	NA	NA
+FL3FALNI0018	Dorsilurin A;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H34O6	490.23553	212071-80-2	knapsack	NA	NA
+FL3FQUNP0001	Dorsilurin E;2,(6Z)-6-(3,4,7,8,12,13-Hexahydro-2,2,6,6,13,13-hexamethyl-2H,6H,10H,11H-tripyrano[3,2-c:2',3'-f:2'',3''-h][1]benzopyran-10-ylidene)-3-hydroxy-4-cyclohexadien-1-one	C30H34O6	490.23553	254101-17-2	knapsack	NA	NA
+FLIAALNI0022	Euchrenone b2;5,7,2',4'-Tetrahydroxy-6,8,3'-triprenylisoflavone	C30H34O6	490.23553	119061-10-8	knapsack	NA	NA
+MJ072747	2',4',5,7-Tetrahydroxy-3',6,8-triprenylflavone 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072748	2',4',5,7-Tetrahydroxy-3',6,8-triprenylisoflavone 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072749	2',4',5,7-Tetrahydroxy-3,6,8-triprenylflavone 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072750	Amoridin 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072751	Amorinin 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072752	Decathieleanolide 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072753	Dorsilurin E 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072754	Euchrenone a6 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072755	Isoamoridin 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072756	Rubraflavone A; 5-Hydroxy, 6-(3-methyl-2-butenyl) 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072757	Sanggenol B 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072758	Tanariflavanone B 	C30H34O6	490.235538	NA	MeJP	NA	NA
+MJ072759	Pomisartan 	C31H30N4O2	490.236876	NA	MeJP	NA	NA
+PJ002648	SQKE 	C19H34N6O9	490.2387	NA	PeJP	NA	NA
+PJ002649	GGTKE 	C19H34N6O9	490.2388	NA	PeJP	NA	NA
+PJ002650	PVEF 	C24H34N4O7	490.2428	NA	PeJP	NA	NA
+PJ002651	GCRR 	C17H34N10O5S	490.2435	NA	PeJP	NA	NA
+PJ002652	VLEM 	C21H38N4O7S	490.2461	NA	PeJP	NA	NA
+MJ072760	6-Butyl-2-(2-phenylethyl)-5-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(1H)-pyrimidinone 	C30H30N6O	490.248109	NA	MeJP	NA	NA
+MJ072761	Jaborosalactone C 	C28H39ClO5	490.248602	NA	MeJP	NA	NA
+MJ072762	Jaborosalactone E 	C28H39ClO5	490.248602	NA	MeJP	NA	NA
+PJ002653	STQR 	C18H34N8O8	490.25	NA	PeJP	NA	NA
+PJ002654	GTKW 	C23H34N6O6	490.254	NA	PeJP	NA	NA
+MJ072763	1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,8-Diangeloyl, 9-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072764	1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3,9-Diangeloyl, 8-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072765	1,10:4,5-Diepoxy-11(13)-germacrene-3,8,9-triol, 3-Angeloyl, 8-(3-methyl-2-butenoyl), 9-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072766	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 6-Me ether, 2,18,19-tri-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072767	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 19-tigloyl, 6-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072768	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 19-(2S-Methylbutanoyl), 6-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072769	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 19-tigloyl, 6-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072770	3,4:10,11-Diepoxy-7(14)-bisabolene-1,2,8-triol; 1,8-Diangeloyl, 2-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072771	3,4:10,11-Diepoxy-7(14)-bisabolene-1,2,8-triol; 2,8-Diangeloyl, 1-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072772	4,18-Epoxy-3,6,19-trihydroxy-13-cleroden-15,16-olide, 19-Tigloyl, 6-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072773	4,18-Epoxy-6,19-dihydroxy-13-cleroden-15,16-olide, 19-(3-Hydroxy-2-methylenebutanoyl), 6-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072774	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11-Isopropylidene, 6,15-di-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072775	8,15-Isopimaradiene-1,7,14,18-tetrol, 18-Carboxylic acid, 1,7,14-tri-Ac, Me ester 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072776	Ingol; 8-Tigloyl, 12-Ac 	C27H38O8	490.256668	NA	MeJP	NA	NA
+MJ072777	Lucidenic acid H; 7-Ketone, 12?-Hydroxy 	C27H38O8	490.256668	NA	MeJP	NA	NA
+PJ002655	VNKM 	C20H38N6O6S	490.2574	NA	PeJP	NA	NA
+MJ072778	Cytoblastin 	C28H34N4O4	490.258005	NA	MeJP	NA	NA
+MJ072779	Mauritine C 	C28H34N4O4	490.258005	NA	MeJP	NA	NA
+MJ072780	Mobenzoxamine 	C30H35FN2O3	490.263171	NA	MeJP	NA	NA
+PJ002656	VVHH 	C22H34N8O5	490.2652	NA	PeJP	NA	NA
+3331	human beta-casein fr,58-61	LVYP	490.267	celiac toxic	Inhouse_peptide	NA	peptide
+MJ072781	Schizanthine E 	C26H38N2O7	490.267901	NA	MeJP	NA	NA
+MJ072782	Schizanthine X; 6-O-Deangeloyl 	C26H38N2O7	490.267901	NA	MeJP	NA	NA
+MJ072783	Schizanthine X; 6-O-deangeloyl 	C26H38N2O7	490.267901	NA	MeJP	NA	NA
+PJ002657	GKMR 	C19H38N8O5S	490.2686	NA	PeJP	NA	NA
+MJ072784	Dexamethasone; 21-(3,3-Dimethylbutanoyl) 	C28H39FO6	490.273067	NA	MeJP	NA	NA
+PJ002658	SKKE 	C20H38N6O8	490.2751	NA	PeJP	NA	NA
+PJ002659	PVLY 	C25H38N4O6	490.2792	NA	PeJP	NA	NA
+MJ072785	4-Chloro-3,23-dioxostigmast-4-en-21-oic acid; 24?-form 	C29H43ClO4	490.284987	NA	MeJP	NA	NA
+PJ002660	STKR 	C19H38N8O7	490.2864	NA	PeJP	NA	NA
+MJ072786	18,19-Epoxy-13(16),14-clerodadiene-2,18,19-triol; 2-(Methylpropanoyl), 18,19-Di-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072787	2,4,9-Trihydroxy-10(14)-oplopen-3-one, 9-(3-Methyl-2E-pentenoyl), 2-(2-methylbutanoyl), 4-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072788	3(15),6-Caryophylladien-13-ol, O-(3-O-Acetyl-4-O-angeloyl-6-deoxy-?-D-glucopyranoside) 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072789	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-(3-Methylbutanoyl), 12-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072790	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072791	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl) 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072792	4,5,6,27-Tetrahydroxy-1-oxowith-24-enolide 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072793	6,13-Epoxy-4(18),8-eunicelladiene-2,3,12-triol, 12-Butanoyl, 2,3-di-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072794	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-(2-Methylbutanoyl), 12-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072795	Colletotrichin 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072796	Hemibrevetoxin B 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072797	Jaborosalactol M 	C28H42O7	490.293053	NA	MeJP	NA	NA
+MJ072798	Pregn-5-ene-3,12,14,17,20-pentol, 12-Tigloyl, 20-Ac 	C28H42O7	490.293053	NA	MeJP	NA	NA
+PJ002661	CLKK 	C21H42N6O5S	490.2938	NA	PeJP	NA	NA
+PJ002662	VLLF 	C26H42N4O5	490.3155	NA	PeJP	NA	NA
+MJ072799	Acozerine 	C31H42N2O3	490.319543	NA	MeJP	NA	NA
+MJ072800	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-Ac 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072801	3,5,6-Trihydroxy-9-oxo-9,11-secocholest-7-en-11-al, 3-Ac 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072802	6,7-Dihydroxy-3,13-clerodadien-15-oic acid, 13,14-Dihydro, 6-(2-methylpropanoyl), 7-angeloyl 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072803	7,13-Labdadiene-3,15-diol, 3-Malonyl, 15-(3-methylpentanoyl) 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072804	7,20,23,29-Tetrahydroxy-28-nor-3,16-lupanedione 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072805	9,11-Epoxycholest-7-ene-3,5,6,19-tetrol, 6-Ac 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072806	Pogosterol 	C29H46O6	490.329439	NA	MeJP	NA	NA
+MJ072807	Homaline 	C30H42N4O2	490.330776	NA	MeJP	NA	NA
+C10599	Homaline	C30H42N4O2	490.3308	NA	KEGG	NA	NA
+MJ072808	Reticulataxanthin; 7',8'-Dihydro, 8'-hydroxy 	C33H46O3	490.344695	NA	MeJP	NA	NA
+MJ072809	Culantraramine 	C32H46N2O2	490.355928	NA	MeJP	NA	NA
+C08931	Barringtogenol C	C30H50O5	490.3658	NA	KEGG	NA	NA
+C16783	Meliantriol	C30H50O5	490.3658	NA	KEGG	NA	NA
+C17459	Alisol A	C30H50O5	490.3658	NA	KEGG	NA	NA
+MJ072810	11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072811	12,20,25-Trihydroxy-3,4-secodammara-4(28),23-dien-3-oic acid 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072812	12-Oleanene-2,3,19,23,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072813	12-Oleanene-3,15,16,22,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072814	12-Oleanene-3,16,21,22,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072815	12-Oleanene-3,16,21,23,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072816	12-Oleanene-3,16,22,23,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072817	12-Oleanene-3,21,22,24,29-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072818	12-Ursene-2,3,19,23,24-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072819	12-Ursene-3,15,16,22,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072820	13,28-Epoxy-3,16,22,23-oleananetetrol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072821	13,28-Epoxy-3,16,22,28-oleananetetrol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072822	14-Serratene-3,20,21,24,30-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072823	16,22-Epoxy-24-dammarene-3,15,16,20-tetrol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072824	16,23,24,25-Tetrahydroxycycloartan-3-one 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072825	2-Heneicosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072826	20,24-Epoxy-24,25-dihydroxy-3,4-secodammar-4(28)-en-3-oic acid 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072827	20,24-Epoxy-3,25,30-trihydroxydammaran-16-one 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072828	20,24-Epoxycycloartane-3,12,16,25-tetrol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072829	20,24-Epoxycycloartane-3,6,16,25-tetrol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072830	20,24-Epoxydammarane-3,12,23,25-tetrol, 3-Ketone 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072831	20,24-Epoxylanost-9(11)-ene-3,6,16,25-tetrol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072832	20,25,26-Trihydroxy-3,4-secodammara-4(28),23-dien-3-oic acid 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072833	22-Dihydroyardenone 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072834	23,24,25-Trihydroxyprotost-13(17)-en-3-one, 13?,17?-Epoxide 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072835	3,19:20,24-Diepoxydammarane-3,17,25-triol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072836	3,24,25-Trihydroxycycloartan-30-oic acid 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072837	3,24,25-Trihydroxylanost-9(11)-en-30-oic acid 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072838	3,5,25-Trihydroxyergostan-6-one, 25-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072839	5,6-Epoxy-1,3,11-trihydroxy-9,11-secogorgostan-9-one 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072840	5,6-Epoxy-3,7,11-trihydroxy-9,11-secogorgostan-9-one 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072841	7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Ketone, 3?-alcohol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072842	9(11)-Arborinene-2,3,7,19,28-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072843	Cordialin B 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072844	Cycloartane-3,6,16,24,25-pentol, 3-Ketone 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072845	Cycloartane-3,6,16,24,25-pentol, 6-Ketone 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072846	Ergost-22-ene-3,5,6,25-tetrol, 25-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072847	Ergost-22-ene-3,5,6,7-tetrol, 7-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072848	Ergost-24(28)-ene-3,5,6,11-tetrol, 11-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072849	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 24,28-Dihydro, 18-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072850	Ergosta-5,24(28)-diene-1,3,11,18-tetrol, 5?,6-Dihydro, 18-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072851	Gorgost-5-ene-1,3,9,11,21-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072852	Gorgost-5-ene-3,7,9,11,21-pentol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072853	Iridogermanal; 21-Deoxy, 17?,26-dihydroxy 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072854	Iridogermanal; 22,23-Epoxide 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072855	Lyofoligenic acid 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072856	Melianotriol 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072857	Sapelin D 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072858	Sipholenol C; 16-oxo 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072859	Sodwanone E 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072860	Sodwanone I 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072861	Sodwanone K 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072862	Sodwanone M 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072863	Sodwanone P 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072864	ost-7-ene-3,5,6,25-tetrol, 25-Ac 	C30H50O5	490.365824	NA	MeJP	NA	NA
+MJ072865	3-(Octadecyloxy)-1,2-propanediol, 1-O-?-L-Fucopyranoside 	C27H54O7	490.386954	NA	MeJP	NA	NA
+MJ072866	3-(Octadecyloxy)-1,2-propanediol, 3-O-(6-Deoxy-?-D-allopyranoside) 	C27H54O7	490.386954	NA	MeJP	NA	NA
+MJ072867	Buxamine I; 9a,10-Dihydro, N20,N20-di-Me, N3-benzoyl 	C33H50N2O	490.392314	NA	MeJP	NA	NA
+MJ072868	Pregnane-3,20-diamine, N3,N20,N20-Tri-Me, N3-cinnamoyl(E-) 	C33H50N2O	490.392314	NA	MeJP	NA	NA
+MJ072869	3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-hexadecanoyl 	C31H54O4	490.40221	NA	MeJP	NA	NA
+MJ072870	Furospinulosin 3 	C35H54O	490.417466	NA	MeJP	NA	NA
+MJ072871	24-Tritriacontene-2,4-dione 	C33H62O2	490.474981	NA	MeJP	NA	NA
+3569	NA	IQSEPKAIP	490.7675	MH2+	Inhouse_peptide	NA	peptide
+MJ072872	N-[[[4-[(5-Bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-2-nitrobenzamide 	C18H11BrClN5O5	490.963208	NA	MeJP	NA	NA
+C00131	dATP	C10H16N5O12P3	491.0008	NA	KEGG	NA	NA
+HMDB01532	dATP	C10H16N5O12P3	491.00082	http://www.hmdb.ca/metabolites/HMDB01532	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01532	dATP	C10H16N5O12P3	491.00082	http://www.hmdb.ca/metabolites/HMDB01532	HMDB	NA	NA
+HMDB01532	dATP	C10H16N5O12P3	491.00082	http://www.hmdb.ca/metabolites/HMDB01532	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01532	dATP	C10H16N5O12P3	491.00082	HMDB01532	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01532	dATP	C10H16N5O12P3	491.000824	NA	HMDB2010	NA	NA
+MJ072873	dATP 	C10H16N5O12P3	491.00083	NA	MeJP	NA	NA
+MetaCyc03702	dATP [2'-deoxyadenosine triphosphate;deoxy-ATP;deoxyadenosine-triphosphate;2'-deoxyadenosine-5'-triphosphate;]	C10H16N5O12P3	491.000831	1927-31-7	metacyc	NA	NA
+MJ072874	Sulisatin 	C21H17NO9S2	491.034472	NA	MeJP	NA	NA
+MJ072875	Cefoxazole 	C21H18ClN3O7S	491.055398	NA	MeJP	NA	NA
+MJ072876	8-(Methylthio)-3-oxooctyl glucosinolate 	C16H29NO10S3	491.095358	NA	MeJP	NA	NA
+FL7AACGA0015	Cyanidin 3-(6-acetylgalactoside)	C23H23O12	491.11895	481655-63-4	knapsack	NA	NA
+FL7AACGL0022	Cyanidin 3-(4''-acetylglucoside)	C23H23O12	491.11895	88395-42-0	knapsack	NA	NA
+FL7AACGL0023	Cyanidin 3-(6''-acetylglucoside)	C23H23O12	491.11895	133080-31-6	knapsack	NA	NA
+MJ072877	2-[4-[4-(7-Chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]butyl]-1,2-benzisothiazol-3(2H)-one; S,S-Dioxide 	C23H26ClN3O5S	491.128169	NA	MeJP	NA	NA
+MJ072878	9-(Methylthio)nonyl glucosinolate 	C17H33NO9S3	491.131743	NA	MeJP	NA	NA
+MJ072879	4-(2-Nitroethyl)phenol; O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C23H25NO11	491.14276	NA	MeJP	NA	NA
+MJ072880	Polyoxin G 	C17H25N5O12	491.149971	NA	MeJP	NA	NA
+MJ072881	Polyoxin J 	C17H25N5O12	491.149971	NA	MeJP	NA	NA
+PJ002663	NDDE 	C17H25N5O12	491.15	NA	PeJP	NA	NA
+FL7ABIGS0001	Capensinin	C24H27O11	491.15533	-	knapsack	NA	NA
+PJ002664	GDDW 	C21H25N5O9	491.1653	NA	PeJP	NA	NA
+PJ002665	GSPCE 	C18H29N5O9S	491.1686	NA	PeJP	NA	NA
+C11813	Demethylalangiside	C24H29NO10	491.1791	NA	KEGG	NA	NA
+C11814	Demethylisoalangiside	C24H29NO10	491.1791	NA	KEGG	NA	NA
+MJ072882	Alangiside; O-De-Me 	C24H29NO10	491.179146	NA	MeJP	NA	NA
+MJ072883	Neoalangiside; O-De-Me 	C24H29NO10	491.179146	NA	MeJP	NA	NA
+PJ002666	NNNM 	C17H29N7O8S	491.1798	NA	PeJP	NA	NA
+PJ002667	GGNNM 	C17H29N7O8S	491.1799	NA	PeJP	NA	NA
+PJ002668	SPCW 	C22H29N5O6S	491.1839	NA	PeJP	NA	NA
+PJ002669	SQEE 	C18H29N5O11	491.1864	NA	PeJP	NA	NA
+PJ002670	PNMM 	C19H33N5O6S2	491.1872	NA	PeJP	NA	NA
+PJ002671	GGPMM 	C19H33N5O6S2	491.1873	NA	PeJP	NA	NA
+MJ072884	3-[[(4-Butoxybenzoyl)oxy]-2-methylbutyl]triethylammonium(1+); Iodide 	C22H38INO3	491.189637	NA	MeJP	NA	NA
+7943	synthetic peptide	YYF	491.194	antioxidative	Inhouse_peptide	NA	peptide
+7961	synthetic peptide	FYY	491.194	antioxidative	Inhouse_peptide	NA	peptide
+7963	synthetic peptide	YFY	491.194	antioxidative	Inhouse_peptide	NA	peptide
+MJ072885	Rocaglatic acid; Methylamide 	C28H29NO7	491.194402	NA	MeJP	NA	NA
+PJ002672	SDDR 	C17H29N7O10	491.1976	NA	PeJP	NA	NA
+PJ002673	GTEW 	C22H29N5O8	491.2016	NA	PeJP	NA	NA
+PJ002674	VNEM 	C19H33N5O8S	491.205	NA	PeJP	NA	NA
+PJ002675	FYY 	C27H29N3O6	491.2056	NA	PeJP	NA	NA
+MJ072886	Barnidipine 	C27H29N3O6	491.205635	NA	MeJP	NA	NA
+MJ072887	Erythrartine; Me ether, O15-de-Me, O-?-D-glucopyranoside 	C25H33NO9	491.215531	NA	MeJP	NA	NA
+MJ072888	Erythrartine; Me ether, O16-de-Me, O-?-D-glucopyranoside 	C25H33NO9	491.215531	NA	MeJP	NA	NA
+MJ072889	Ryania diterpene ester C2 	C25H33NO9	491.215531	NA	MeJP	NA	NA
+MJ072890	Ryanodine; 8,9-Didehydro 	C25H33NO9	491.215531	NA	MeJP	NA	NA
+MJ072891	Ryanodine; 9,21-Didehydro 	C25H33NO9	491.215531	NA	MeJP	NA	NA
+PJ002676	GEMR 	C18H33N7O7S	491.2162	NA	PeJP	NA	NA
+PJ002677	GGGACK 	C18H33N7O7S	491.2163	NA	PeJP	NA	NA
+PJ002678	TWW 	C26H29N5O5	491.2169	NA	PeJP	NA	NA
+MJ072892	Gliamilide 	C23H33N5O5S	491.220239	NA	MeJP	NA	NA
+PJ002679	GVMW 	C23H33N5O5S	491.2203	NA	PeJP	NA	NA
+MJ072893	Benthocyanin C 	C31H29N3O3	491.220891	NA	MeJP	NA	NA
+CJneg0628	Ketoretinoic acid glucuronide isomer [(M-H)]- (13C)	C2513CH33O9	491.221325	C18rt(min)=8.85 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0628	Ketoretinoic acid glucuronide isomer [(M-H)]- (13C)	C2513CH33O9	491.221325	C18rt(min)=8.85 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002680	SKEE 	C19H33N5O10	491.2228	NA	PeJP	NA	NA
+PJ002681	AQHH 	C20H29N9O6	491.2241	NA	PeJP	NA	NA
+7904	NA	SALAM	491.2304	antioxidative	Inhouse_peptide	NA	peptide
+MJ072894	Hetisan-1,2,9,15-tetrol, 2-Benzoyl, 1-Ac 	C29H33NO6	491.230787	NA	MeJP	NA	NA
+MJ072895	Hetisan-2,11,13,14-tetrol, 13-Benzoyl, 2-Ac 	C29H33NO6	491.230787	NA	MeJP	NA	NA
+MJ072896	Speciosine, O-Me 	C29H33NO6	491.230787	NA	MeJP	NA	NA
+PJ002682	MRW 	C22H33N7O4S	491.2315	NA	PeJP	NA	NA
+PJ002683	STER 	C18H33N7O9	491.234	NA	PeJP	NA	NA
+PJ002684	SSLW 	C23H33N5O7	491.238	NA	PeJP	NA	NA
+PJ002685	VDKM 	C20H37N5O7S	491.2414	NA	PeJP	NA	NA
+MJ072897	Paraherquamide D 	C28H33N3O5	491.242021	NA	MeJP	NA	NA
+MJ072898	Pentacynium(2+); Dichloride 	C27H39Cl2N3O	491.247018	NA	MeJP	NA	NA
+PJ002686	GPRY 	C22H33N7O6	491.2493	NA	PeJP	NA	NA
+MJ072899	Antibiotic BR 040 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+MJ072900	Dictyocarpinine; 2,3-Didehydro, 6-Ac 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+MJ072901	Epilupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+MJ072902	Keitine; 3'-Demethoxy, O4'-?-D-glucopyranoside 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+MJ072903	Lupinine, O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+MJ072904	Pergilone 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+MJ072905	Siwanine A; O14-De-Me 	C26H37NO8	491.251917	NA	MeJP	NA	NA
+PJ002687	SVMR 	C19H37N7O6S	491.2526	NA	PeJP	NA	NA
+PJ002688	GTTTL 	C20H37N5O9	491.2591	NA	PeJP	NA	NA
+MJ072906	Mutamicin 1A 	C20H37N5O9	491.259127	NA	MeJP	NA	NA
+PJ002689	AKHH 	C21H33N9O5	491.2605	NA	PeJP	NA	NA
+2829	PEP inhibitor	APPTPPPLPP	491.266	MH2+	Inhouse_peptide	NA	peptide
+MJ072907	Antibiotic AF 140 	C30H37NO5	491.267173	NA	MeJP	NA	NA
+MJ072908	Pentagydine; 16-Demethoxy, 8-cinnamoyl 	C30H37NO5	491.267173	NA	MeJP	NA	NA
+MJ072909	Zygosporin D; 18-Deoxy, 21-Ac 	C30H37NO5	491.267173	NA	MeJP	NA	NA
+MJ072910	Zygosporin G 	C30H37NO5	491.267173	NA	MeJP	NA	NA
+C12039	Epothilone D	C27H41NO5S	491.2705	NA	KEGG	NA	NA
+MJ072911	Epothilone D 	C27H41NO5S	491.270544	NA	MeJP	NA	NA
+PJ002690	PTKF 	C24H37N5O6	491.2744	NA	PeJP	NA	NA
+MJ072912	Lidoflazine 	C30H35F2N3O	491.274819	NA	MeJP	NA	NA
+PJ002691	TLKM 	C21H41N5O6S	491.2778	NA	PeJP	NA	NA
+PJ002692	GLFR 	C23H37N7O5	491.2856	NA	PeJP	NA	NA
+MJ072913	Delpheline; 1-Epimer, 6-Ac 	C27H41NO7	491.288302	NA	MeJP	NA	NA
+MJ072914	Delpheline; Ac 	C27H41NO7	491.288302	NA	MeJP	NA	NA
+MJ072915	Funiculosin 	C27H41NO7	491.288302	NA	MeJP	NA	NA
+MJ072916	Talatizamine; O1-De-Me, 8,14-di-Ac 	C27H41NO7	491.288302	NA	MeJP	NA	NA
+MJ072917	Zygadenilic acid ?-lactone 	C27H41NO7	491.288302	NA	MeJP	NA	NA
+C16562	Glutathionylspermine	C20H41N7O5S	491.289	NA	KEGG	NA	NA
+C03524	N2'-Acetylgentamicin C1a	C21H41N5O8	491.2955	NA	KEGG	NA	NA
+MetaCyc03703	N2'-acetylgentamicin C1A []	C21H41N5O8	491.295513	NA	metacyc	NA	NA
+EUR716	LysoPE(20:2) [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR871	Lyso PE 20:2 [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR716	LysoPE(20:2) [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR871	Lyso PE 20:2 [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR716	LysoPE(20:2) [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR871	Lyso PE 20:2 [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR716	LysoPE(20:2) [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR871	Lyso PE 20:2 [M-H-CH3]-	C25H48NO7P	491.301192	masses lipides attendues	Inhousejuil11	NA	NA
+PJ002693	VVKF 	C25H41N5O5	491.3108	NA	PeJP	NA	NA
+MJ072918	3,14,15-Trihydroxypregn-5-en-20-one, 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C28H45NO6	491.324688	NA	MeJP	NA	NA
+MJ072919	Coumingidine 	C28H45NO6	491.324688	NA	MeJP	NA	NA
+MJ072920	Norcassaidide; 7-Ketone, O3-(3-hydroxy-3-methylbutanoyl) 	C28H45NO6	491.324688	NA	MeJP	NA	NA
+MJ072921	Talatizamine; O8-Et, O14-Ac 	C28H45NO6	491.324688	NA	MeJP	NA	NA
+MJ072922	Antibiotic XK 62-4 	C22H45N5O7	491.331898	NA	MeJP	NA	NA
+MJ072923	Antibiotic XK 62-6; N6'-Me 	C22H45N5O7	491.331898	NA	MeJP	NA	NA
+MJ072924	Antibiotic XK 62-8 	C22H45N5O7	491.331898	NA	MeJP	NA	NA
+MJ072925	Phenalamide A1 	C32H45NO3	491.339944	NA	MeJP	NA	NA
+MJ072926	3,14-Dihydroxypregnan-20-one, 3-O-(2,4,6-Trideoxy-3-O-methyl-4-methylamino-?-D-ribo-hexopyranoside) 	C29H49NO5	491.361073	NA	MeJP	NA	NA
+MJ072927	Lipstatin 	C29H49NO5	491.361073	NA	MeJP	NA	NA
+7854	NA	YGGFMRRV~	491.7497	MH2+	Inhouse_peptide	NA	peptide
+3056	NA	GKVLKKRR	491.8285	MH2+	Inhouse_peptide	NA	peptide
+7772	ACTH-like peptide	GKVLKKRR	491.8285	MH2+	Inhouse_peptide	NA	peptide
+MJ072928	Waianaeamine A 	C17H19Br2ClN2O3	491.945095	NA	MeJP	NA	NA
+MJ072929	Waianaeamine B 	C17H19Br2ClN2O3	491.945095	NA	MeJP	NA	NA
+FL5FECNSS004	Patuletin 3,3'-di-O-sulfate	C16H12O14S2	491.96684	108925-76-4	knapsack	NA	NA
+MJ072930	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,3'-Di-O-sulfate 	C16H12O14S2	491.966846	NA	MeJP	NA	NA
+C01345	dITP	C10H15N4O13P3	491.9848	NA	KEGG	NA	NA
+HMDB03537	2'-Deoxyinosine triphosphate	C10H15N4O13P3	491.984833	NA	HMDB2010	NA	NA
+MJ072931	dITP 	C10H15N4O13P3	491.984846	NA	MeJP	NA	NA
+MetaCyc03704	dITP [deoxyinosine triphosphate;]	C10H15N4O13P3	491.984846	NA	metacyc	NA	NA
+HMDB03537	2'-Deoxyinosine triphosphate	C10H15N4O13P3	491.98486	http://www.hmdb.ca/metabolites/HMDB03537	HMDB	NA	NA
+HMDB03537	2'-Deoxyinosine triphosphate	C10H15N4O13P3	491.98486	HMDB03537	PFEM_hmdb_metabocards_official	NA	NA
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR352	Flavine adenine dinucleotide F2	NA	492.014075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR352	Flavine adenine dinucleotide F2	NA	492.014075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR352	Flavine adenine dinucleotide F2	NA	492.014075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR352	Flavine adénine dinucléotide F2	F2	492.014075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR352	Flavine adenine dinucleotide F2	NA	492.014075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR352	Flavine adenine dinucleotide F2	F2	492.014075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ072932	Pinnatifidine 	C19H26Br2O5	492.014699	NA	MeJP	NA	NA
+MJ072933	Fringelite F; 11-Hydroxy 	C28H12O9	492.048131	NA	MeJP	NA	NA
+MJ072934	Griseorhodin C; 7,8-Dideoxy, 6-ketone 	C25H16O11	492.069261	NA	MeJP	NA	NA
+MJ072935	Isoplagiochin C; 2,12-Dichloro, 7',8'-dihydro 	C28H22Cl2O4	492.089514	NA	MeJP	NA	NA
+MJ072936	Isoplagiochin C; 6',12-Dichloro, 7',8'-dihydro 	C28H22Cl2O4	492.089514	NA	MeJP	NA	NA
+MJ072937	Isoplagiochin C; 7',12-Dichloro, 7',8'-dihydro 	C28H22Cl2O4	492.089514	NA	MeJP	NA	NA
+MJ072938	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072939	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072940	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072941	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, Me ester 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072942	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3'-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072943	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072944	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072945	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072946	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072947	4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-?-D-Glucuronoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072948	4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 8-O-?-D-Glucuronopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072949	6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072950	Carmine red 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072951	Ellagic acid; 2,3-Di-Me ether, 8-O-?-D-glucopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+MJ072952	Ellagic acid; 3,8-Di-Me ether, 2-O-?-D-glucopyranoside 	C22H20O13	492.09039	NA	MeJP	NA	NA
+FL3FAHGS0003	Tricetin 3'-methyl ether 7-glucuronide; 2-(3,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid	C22H20O13	492.09039	380468-48-4	knapsack	NA	NA
+FL3FECGS0038	6-Methoxyluteolin 7-glucuronide	C22H20O13	492.09039	82657-12-3	knapsack	NA	NA
+FL3FFCGS0016	8-Hydroxyluteolin 4'-methyl ether 8-glucuronide	C22H20O13	492.09039	135010-46-7	knapsack	NA	NA
+FL3FFCGS0019	8-Hydroxyluteolin 3'-methyl ether 8-glucuronide;8-Hydroxychrysoeriol 8-glucuronide;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid	C22H20O13	492.09039	151363-21-2	knapsack	NA	NA
+FL5FACGS0009	Quercetin 3-(6''-methylglucuronide)	C22H20O13	492.09039	79543-28-5	knapsack	NA	NA
+FL5FADGS0005	Isorhamnetin 3-glucuronide	C22H20O13	492.09039	36687-76-0	knapsack	NA	NA
+FL5FBCGS0002	Azaleatin 3-glucuronide	C22H20O13	492.09039	-	knapsack	NA	NA
+FL5FDCGS0005	Quercetin 3-methyl ether 7-glucuronide	C22H20O13	492.09039	98751-52-1	knapsack	NA	NA
+FL5FEAGS0007	6-Methoxykaempferol 3-glucuronide	C22H20O13	492.09039	118637-02-8	knapsack	NA	NA
+C11254	Carmine	C22H20O13	492.0904	NA	KEGG	NA	NA
+MJ072953	14,20-Tricosadiene-3,5,10,12,22-pentayne-1,2-diol, Di-O-sulfate 	C23H24O8S2	492.091259	NA	MeJP	NA	NA
+MJ072954	Gilmaniellin; Dechloro 	C26H20O10	492.105646	NA	MeJP	NA	NA
+MJ072955	Moellendorffiline 	C26H20O10	492.105646	NA	MeJP	NA	NA
+MJ072956	Salvianolic acid B; 3-Deacyl, 2,3-didehydro 	C26H20O10	492.105646	NA	MeJP	NA	NA
+MJ072957	3-Chloro-8,9-dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Acetoxymethyl-2E-butenoyl), 9-Ac 	C24H25ClO9	492.11871	NA	MeJP	NA	NA
+MJ072958	1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione 	C30H20O7	492.120902	NA	MeJP	NA	NA
+FL1C3CGS0003	Okanin 4'-(6''-acetylglucoside)	C23H24O12	492.12677	120163-15-7	knapsack	NA	NA
+FL2FACGS0015	Coccinoside A;5,7,3',4'-Tetrahydroxyflavanone 7-(6-acetylglucoside)	C23H24O12	492.12677	146555-76-2	knapsack	NA	NA
+FL3FAICS0001	Isopyrenin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C23H24O12	492.12677	61252-85-5	knapsack	NA	NA
+FL3FAIGS0002	Tricin 7-glucoside	C23H24O12	492.12677	32769-01-0	knapsack	NA	NA
+FL3FAIGS0003	Tricin 5-glucoside	C23H24O12	492.12677	32769-00-9	knapsack	NA	NA
+FL3FAIGS0007	Tricin 4'-glucoside	C23H24O12	492.12677	71855-50-0	knapsack	NA	NA
+FL3FE8GS0003	5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one	C23H24O12	492.12677	168293-27-4	knapsack	NA	NA
+FL3FECGS0028	6-Hydroxyluteolin 6,7-dimethyl ether 4'-glucoside	C23H24O12	492.12677	41087-98-3	knapsack	NA	NA
+FL3FECGS0029	6-Hydroxyluteolin 6,3'-dimethyl ether 7-glucoside	C23H24O12	492.12677	25474-11-7	knapsack	NA	NA
+FL3FECGS0030	6-Hydroxyluteolin 6,4'-dimethyl ether 7-glucoside	C23H24O12	492.12677	67557-77-1	knapsack	NA	NA
+FL3FECGS0032	6-Hydroxyluteolin 7,3'-dimethyl ether 6-glucoside	C23H24O12	492.12677	60032-93-1	knapsack	NA	NA
+FL3FF8GS0004	5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside	C23H24O12	492.12677	113963-38-5	knapsack	NA	NA
+FL3FFCGS0017	8-Hydroxyluteolin 8,3'-dimethyl ether 7-glucoside	C23H24O12	492.12677	135043-85-5	knapsack	NA	NA
+FL3FFCGS0024	Hypolaetin 7,3'-dimethyl eter 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-5,8-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C23H24O12	492.12677	215113-46-5	knapsack	NA	NA
+FL3FGAGS0001	Isothymusin 8-glucoside;8-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one	C23H24O12	492.12677	205682-11-7	knapsack	NA	NA
+FL5FA9GS0005	Lagotiside	C23H24O12	492.12677	123914-42-1	knapsack	NA	NA
+FL5FAFGS0001	Dillenetin 7-glucoside	C23H24O12	492.12677	165460-83-3	knapsack	NA	NA
+FL5FAIGS0002	Syringetin 3-rhamnoside	C23H24O12	492.12677	93126-00-2	knapsack	NA	NA
+FL5FAKGS0001	Myricetin 3',4'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C23H24O12	492.12677	362603-38-1	knapsack	NA	NA
+FL5FCDGA0001	Rhamnazin 3-galactoside	C23H24O12	492.12677	59359-34-1	knapsack	NA	NA
+FL5FCDGL0001	Rhamnazin 3-glucoside	C23H24O12	492.12677	20486-38-8	knapsack	NA	NA
+FL5FCDGS0001	Rhamnazin 4'-glucoside	C23H24O12	492.12677	80651-75-8	knapsack	NA	NA
+FL5FCEGA0001	Ombuin 3-galactoside	C23H24O12	492.12677	69168-13-4	knapsack	NA	NA
+FL5FCEGL0001	Ombuin 3-glucoside;Yixingensin;5,3'-Dihydroxy-7,4'-dimethoxyflavone 3-O-beta-D-glucopyranoside;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C23H24O12	492.12677	158642-42-3	knapsack	NA	NA
+FL5FDCGS0010	Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one	C23H24O12	492.12677	151590-52-2	knapsack	NA	NA
+FL5FDCGS0011	Quercetin 3,7-dimethyl ether 5-glucoside	C23H24O12	492.12677	128388-46-5	knapsack	NA	NA
+FL5FDCGS0012	Quercetin 3,7-dimethyl ether 4'-glucoside	C23H24O12	492.12677	102693-70-9	knapsack	NA	NA
+FL5FDDGS0001	Quercetin 3,3'-dimethyl ether 7-glucoside	C23H24O12	492.12677	2345-97-3	knapsack	NA	NA
+FL5FDDGS0002	Quercetin 3,3'-dimethyl ether 4'-glucoside	C23H24O12	492.12677	89648-74-8	knapsack	NA	NA
+FL5FDEGS0001	Quercetin 3,4'-dimethyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C23H24O12	492.12677	70324-45-7	knapsack	NA	NA
+FL5FEAGA0003	Eupalitin 3-galactoside	C23H24O12	492.12677	98604-37-6	knapsack	NA	NA
+FL5FEAGA0004	Betuletol 3-galactoside	C23H24O12	492.12677	128450-83-9	knapsack	NA	NA
+FL5FEAGL0006	Eupalitin 3-glucoside	C23H24O12	492.12677	83117-60-6	knapsack	NA	NA
+FL5FEAGL0007	Betuletol 3-glucoside	C23H24O12	492.12677	144599-04-2	knapsack	NA	NA
+FL5FEAGS0012	6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside	C23H24O12	492.12677	32214-79-2	knapsack	NA	NA
+FL5FEAGS0015	Betuletol 7-glucoside	C23H24O12	492.12677	158080-75-2	knapsack	NA	NA
+FL5FECGS0021	Eupatolin	C23H24O12	492.12677	29725-50-6	knapsack	NA	NA
+FL5FFAGS0019	Prudomenin	C23H24O12	492.12677	24568-40-9	knapsack	NA	NA
+FL5FFCGS0016	Limocitrin 3-rhamnoside	C23H24O12	492.12677	90456-56-7	knapsack	NA	NA
+FLIAECGS0002	Iristectorigenin A 7-O-glucoside;Iristectorin A	C23H24O12	492.12677	37744-61-9	knapsack	NA	NA
+FLIAECGS0003	Iristectorigenin B 7-O-glucoside;Iristectorin B	C23H24O12	492.12677	94396-09-5	knapsack	NA	NA
+FLIAFCGS0001	Homotectorigenin 7-O-glucoside;Homotectoridin;5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone 7-O-glucoside	C23H24O12	492.12677	41744-53-0	knapsack	NA	NA
+MJ072959	1,2,3,4,5,7-Hexahydroxy-6-methylanthraquinone; 2,3-Di-Me ether, 7-O-?-L-rhamnopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072960	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 2,8-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072961	1,2,4,5-Tetrahydroxy-7-hydroxymethylanthraquinone; 2,5-Di-Me ether, 4-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072962	2',3',5,7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 3'-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072963	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072964	2',4',5',6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether, 2'-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072965	2',5,6',7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 2'-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072966	2',5,6,6',7-Pentahydroxyflavone; 6,7-Di-Me ether, 2'-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072967	3',4',5,5',7-Pentahydroxyisoflavone; 3',4'-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072968	3',4',5,6,7-Pentahydroxyflavone; 3',7-Di-Me ether, 6-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072969	3',4',5,6,7-Pentahydroxyflavone; 6,7-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072970	3',4',5,6,7-Pentahydroxyisoflavone; 3',6-Di-Me ether, glucoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072971	3',4',5,6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072972	3',4',5,7,8-Pentahydroxyflavone; 3',7-Di-Me ether, 8-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072973	3',4',5,7,8-Pentahydroxyflavone; 3',8-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072974	3',4',5,7,8-Pentahydroxyisoflavone; 3',8-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072975	3',4',5,7-Tetrahydroxyflavanone, 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072976	3',4',7-Trihydroxy-3,5-dimethoxyflavone; 3' or 4'-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072977	3',4',7-Trihydroxy-3,5-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072978	3',5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072979	3,3',4',5,7-Pentahydroxyflavone; 3',5-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072980	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072981	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 5-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072982	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072983	3,3',5,5',7-Pentahydroxyflavone; 3',5'-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072984	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072985	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072986	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072987	3,4',5,6,7-Pentahydroxyflavone; 4',7-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072988	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072989	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-?-L-Rhamnopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072990	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072991	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072992	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072993	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072994	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072995	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072996	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072997	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072998	3,5,7-Trihydroxy-4',6-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ072999	3,5,7-Trihydroxy-4',6-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073000	3,5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073001	3,5,7-Trihydroxy-4',8-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073002	3,5,7-Trihydroxy-4',8-dimethoxyflavone; 7-O-?-D-Glucopyranside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073003	4',5,6,7,8-Pentahydroxyflavone; 6,7-Di-Me ether, 8-O-?-D-glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073004	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073005	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 5-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073006	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073007	4',5,7-Trihydroxy-3',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073008	4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073009	4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073010	Isoaffinetin; 3',5'-Di-Me ether 	C23H24O12	492.126776	NA	MeJP	NA	NA
+MJ073011	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5-Di-Me ether, 3-O-?-D-galactopyranoside 	C23H25O12(+)	492.126776	NA	MeJP	NA	NA
+MJ073012	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H25O12(+)	492.126776	NA	MeJP	NA	NA
+MJ073013	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Galactopyranoside 	C23H25O12(+)	492.126776	NA	MeJP	NA	NA
+MJ073014	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside 	C23H25O12(+)	492.126776	NA	MeJP	NA	NA
+MetaCyc03705	cicerin-7-O-glucoside []	C23H24O12	492.126776	NA	metacyc	NA	NA
+C10303	Aurantio-obtusin beta-D-glucoside	C23H24O12	492.1268	NA	KEGG	NA	NA
+MJ073015	Streptonigrin; 10'-O-De-Me 	C24H20N4O8	492.128113	NA	MeJP	NA	NA
+MJ073016	Streptonigrin; 6-O-De-Me 	C24H20N4O8	492.128113	NA	MeJP	NA	NA
+PJ002694	CCMH 	C17H28N6O5S3	492.1284	NA	PeJP	NA	NA
+MJ073017	Leptosin D 	C25H24N4O3S2	492.128982	NA	MeJP	NA	NA
+PJ002695	DDDE 	C17H24N4O13	492.134	NA	PeJP	NA	NA
+MJ073018	Uveoside 	C27H24O9	492.142032	NA	MeJP	NA	NA
+PJ002696	GPCCN 	C17H28N6O7S2	492.1461	NA	PeJP	NA	NA
+MJ073019	3',5'-Diglucosyl-2',4',6'-trihydroxyacetophenone 	C20H28O14	492.147905	NA	MeJP	NA	NA
+MJ073020	3,4-Dihydroxybenzoic acid; 3-Me ether, 4-O-?-D-glucopyranoside, ?-D-glucopyranosyl ester 	C20H28O14	492.147905	NA	MeJP	NA	NA
+MJ073021	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, 1,6-Anhydro, tetra-Ac 	C20H28O14	492.147905	NA	MeJP	NA	NA
+MJ073022	Acefluranol 	C25H26F2O8	492.159574	NA	MeJP	NA	NA
+FL1C3CGS0020	Okanin 3,4,3'-trimethyl ether 4'-glucoside	C24H28O11	492.16316	94285-18-4	knapsack	NA	NA
+FL1CDDGS0001	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside	C24H28O11	492.16316	112572-59-5	knapsack	NA	NA
+MJ073023	1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 1-Me ether, 2-O-?-D-glucopyranoside 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073024	2',3,3',4,4'-Pentahydroxychalcone, 3,3',4-Tri-Me ether, 4'-O-?-D-glucopyranoside 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073025	2',5,5',7-Tetrahydroxy-6,8-dimethylflavanone, 5'-Me ether, 7-O-?-D-glucopyranoside 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073026	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073027	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-D-glucopyranoside] 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073028	2-(3,4-Dihydroxyphenyl)ethanol; 4'-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073029	3',4',5,7-Tetrahydroxyflavanone, 3',5,7-Tri-Me ether, 4'-O-?-D-glucopyranoside 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073030	4,18:15,16-Diepoxy-3,8,10,19-tetrahydroxy-6-oxo-13(16),14-clerodadien-20,12-olide, 3,19-Di-Ac 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073031	4,5-Epoxy-3,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 3-Ketone, 8-(4-acetoxy-3-methyl-2Z-butenoyl), 13-Ac 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073032	Antirrhinoside; 5-Deoxy, 2'-O-(4-hydroxy-E-cinnamoyl) 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073033	Antirrhinoside; 5-Deoxy, 2'-O-(4-hydroxy-Z-cinnamoyl) 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073034	Aucubigenin; 10-O-(4-Hydroxycinnamoyl), 1-O-?-D-glucopyranoside 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073035	Aucubigenin; 6-O-(4-Hydroxycinnamoyl), 1-O-?-D-glucopyranoside 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073036	Catalpol; 10-(Z)-Cinnamoyl 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073037	Catalpol; 10-O-E-Cinnamoyl 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073038	Kutkin 	C24H28O11	492.163161	NA	MeJP	NA	NA
+MJ073039	Macrophylloside C; 4'-Me ether 	C24H28O11	492.163161	NA	MeJP	NA	NA
+PJ002697	NNDM 	C17H28N6O9S	492.1639	NA	PeJP	NA	NA
+PJ002698	SEEE 	C18H28N4O12	492.1704	NA	PeJP	NA	NA
+PJ002699	PDMM 	C19H32N4O7S2	492.1713	NA	PeJP	NA	NA
+MJ073040	Bletilol B; 5'-Methoxy 	C28H28O8	492.178417	NA	MeJP	NA	NA
+MJ073041	Caleahymenone B 	C28H28O8	492.178417	NA	MeJP	NA	NA
+MJ073042	Latisxanthone A; ?3'-Isomer, 2'?-hydroperoxy 	C28H28O8	492.178417	NA	MeJP	NA	NA
+MJ073043	Rocaglatic acid; Me ester 	C28H28O8	492.178417	NA	MeJP	NA	NA
+PJ002700	GCQW 	C21H28N6O6S	492.1791	NA	PeJP	NA	NA
+PJ002701	GSSNE 	C17H28N6O11	492.1816	NA	PeJP	NA	NA
+MJ073044	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O13	492.184291	NA	MeJP	NA	NA
+MJ073045	6-Deoxyaucubigenin; 1,10-Di-O-?-D-glucopyranoside 	C21H32O13	492.184291	NA	MeJP	NA	NA
+MJ073046	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-?-L-rhamnopyranoside 	C21H32O13	492.184291	NA	MeJP	NA	NA
+MJ073047	Decaloside; 11-O-Quinovoside 	C21H32O13	492.184291	NA	MeJP	NA	NA
+PJ002702	PDDF 	C22H28N4O9	492.1857	NA	PeJP	NA	NA
+PJ002703	VDEM 	C19H32N4O9S	492.189	NA	PeJP	NA	NA
+MJ073048	Cilnidipine 	C27H28N2O7	492.189651	NA	MeJP	NA	NA
+PJ002704	PCHH 	C20H28N8O5S	492.1904	NA	PeJP	NA	NA
+PJ002705	SSNW 	C21H28N6O8	492.1969	NA	PeJP	NA	NA
+C17507	Palmatoside G	C25H32O10	492.1995	NA	KEGG	NA	NA
+MJ073049	15,16-Epoxy-19-hydroxy-18-nor-4-oxo-2,13(16),14-clerodatrien-17,12-olide, O-?-D-Glucopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073050	15,16-Epoxy-4-hydroxy-18-nor-1-oxo-2,13(16),14-clerodatrien-17,12-olide, 4-O-?-D-Glucopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073051	2,3-Dihydro-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-propanol, 3'-Me ether, 9-O-?-rhamnopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073052	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-?-L-rhamnopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073053	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 9'-O-?-L-rhamnopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073054	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 9-O-?-L-rhamnopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073055	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-D-xylopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073056	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-?-L-rhamnopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073057	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-D-xylopyranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073058	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-L-arabinofuranoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073059	5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2-Hydroxymethyl-2E-butenoyl), 8-(2-methylpropanoyl), Me ester 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073060	5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2R,3R-Epoxy-2-methylbutanoyl), 8-(2-methylpropanoyl), Me ester 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073061	8,10-Dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-[4-Hydroxy-2-(4-hydroxy-2-hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl] 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073062	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylpropanoyl), Me ester (1) 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073063	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylpropanoyl), Me ester (2) 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073064	Glaucarubol; 13,18-Didehydro, 2-ketone, 15-(2-hydroxy-2-methylbutanoyl) 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073065	Hirsutoside 	C25H32O10	492.199547	NA	MeJP	NA	NA
+MJ073066	Undulatone; O-De-Ac 	C25H32O10	492.199547	NA	MeJP	NA	NA
+PJ002706	SQQM 	C18H32N6O8S	492.2002	NA	PeJP	NA	NA
+PJ002707	GGTQM 	C18H32N6O8S	492.2003	NA	PeJP	NA	NA
+MJ073067	Benthocyanin A 	C31H28N2O4	492.204907	NA	MeJP	NA	NA
+MJ073068	Adjuvant peptide 	C19H32N4O11	492.206757	NA	MeJP	NA	NA
+MetaCyc03706	acetylmuramyl-alanyl-isoglutamine [acetylmuramyl-alanyl-iso-glutamine;]	C19H32N4O11	492.206758	53678-77-6	metacyc	NA	NA
+PJ002708	AEHH 	C20H28N8O7	492.2081	NA	PeJP	NA	NA
+8089	peptide derived from tuna cooking juice	VDYP	492.2099	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ073069	Antimycin A; Antimycin A5 	C24H32N2O9	492.21078	NA	MeJP	NA	NA
+PJ002709	SCQR 	C17H32N8O7S	492.2115	NA	PeJP	NA	NA
+MJ073070	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 6-Ketone, 1,9-dibenzoyl 	C29H32O7	492.214803	NA	MeJP	NA	NA
+MJ073071	2,13,14-Trihydroxy-5,8(17),11-briaratrien-18,7-olide, 13-Ketone, 2-benzoyl, 14-Ac 	C29H32O7	492.214803	NA	MeJP	NA	NA
+MJ073072	Uvafzelin 	C29H32O7	492.214803	NA	MeJP	NA	NA
+PJ002710	GCKW 	C22H32N6O5S	492.2155	NA	PeJP	NA	NA
+MJ073073	Betamethasone; 21-(3-Carboxypropanoyl) 	C26H33FO8	492.215946	NA	MeJP	NA	NA
+MJ073074	Dexamethasone; 21-(3-Carboxypropanoyl) 	C26H33FO8	492.215946	NA	MeJP	NA	NA
+MJ073075	Loperamide; N4-Oxide 	C29H33ClN2O3	492.21797	NA	MeJP	NA	NA
+PJ002711	GSSDK 	C18H32N6O10	492.218	NA	PeJP	NA	NA
+PJ002712	PVDY 	C23H32N4O8	492.222	NA	PeJP	NA	NA
+MJ073076	N-Acetyltyrosylvalyl-N-(2-carboxy-1-formylethyl)alaninamide 	C23H32N4O8	492.222014	NA	MeJP	NA	NA
+PJ002713	TLEM 	C20H36N4O8S	492.2254	NA	PeJP	NA	NA
+MJ073077	2-[[4-[2-[[[(2,4-Difluorophenyl)amino]carbonyl]heptylamino]ethyl]phenyl]thio]-2-methylpropanoic acid 	C26H34F2N2O3S	492.22582	NA	MeJP	NA	NA
+MJ073078	Methyl 4-[[17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-methoxy-6,14-ethenomorphinan-7-yl]amino]-4-oxo-2-butenoate 	C28H32N2O6	492.226036	NA	MeJP	NA	NA
+PJ002714	GSSSR 	C17H32N8O9	492.2292	NA	PeJP	NA	NA
+MJ073079	N-[[1-[[2-(Acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]carbonyl]-O-methyltyrosine, Et ester 	C25H36N2O6S	492.229407	NA	MeJP	NA	NA
+PJ002715	AQQF 	C22H32N6O7	492.2333	NA	PeJP	NA	NA
+C09070	Caryoptin	C26H36O9	492.2359	NA	KEGG	NA	NA
+MJ073080	1,2,3,5,14-Vouacapanepentol, 1,2,3-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073081	1,2,3,6,11-Pentahydroxy-16-kauren-15-one, 2,3,11-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073082	1,5,6,7,14-Vouacapanepentol, 1,6,7-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073083	1,6,7,12-Tetrahydroxy-4(18),13-clerodadien-15,16-olide, 1,6,12-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073084	1,7,11,13,14-Pentahydroxy-16-kauren-15-one, 1,7,11-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073085	11,12-Dihydroxyhavanensin-28-oic acid 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073086	13,17-Epoxy-4(20),11-taxadiene-2,5,9,10,13-pentol, 2,9,10-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073087	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18,19-olide, 2-O-?-D-Glucopyranoside 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073088	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 1,3,7-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073089	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 1,7,11-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073090	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 3,6,7-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073091	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,7-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073092	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,6,11-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073093	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,6,7-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073094	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,6,7-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073095	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,7,11-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073096	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,6-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073097	17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-5,8,11,12,18-pentol; 11,12,18-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073098	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,5,13-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073099	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,7,13-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073100	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 7,10,13-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073101	2(3?20)-Abeo-2,5,7,9,13-pentahydroxy-4(20),11-taxadien-10-one, 2,7,13-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073102	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-3,6,19-triol, 19-(2-Methylpropanoyl), 6-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073103	2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,10,13-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073104	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 11?,12?-Epoxide, 2,9,10-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073105	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 2-butanoyl, 9-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073106	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 12-Ketone, 9-butanoyl, 2-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073107	2,8,9,14-Tetrahydroxy-5,11(20)-briaradien-18,7-olide, 2,9,14-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073108	2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 2,9,14-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073109	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',4,4',5,5'-Hexa-Me ether, 9-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073110	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 2,9,10-tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073111	4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073112	4,18:11,16:15,16-Triepoxy-14-clerodene-3,6,19-triol, Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073113	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,7,19-tetrol, 3,7,19-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073114	4,18:15,16-Diepoxy-13(16),14-clerodadiene-6,12,19,20-tetrol, 12,19,20-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073115	6,7:17,18-Diepoxy-1(19),10(17),13-xenicatriene-8,11,12,18-tetrol; 11,12,18-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073116	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,11,15-Tri-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073117	8,17-Epoxy-2,9,11,14-tetrahydroxy-5,12-briaradien-18,7-olide; 2-Butanoyl, 14-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073118	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 14-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073119	8,9-Epoxy-2,4,6,10-daucanetetrol, 6-(3,4-Dimethoxybenzoyl), 2-Ac 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073120	9,11-Epoxy-15-oxo-16-atisen-19-oic acid, ?-D-Glucopyranosyl ester 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073121	Alcyonolide 3; 15-Acetoxy 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073122	Caudicifolin; 17-O-?-D-Glucopyranoside 	C26H36O9	492.235932	NA	MeJP	NA	NA
+MJ073123	Chromodorolide B 	C26H36O9	492.235932	NA	MeJP	NA	NA
+CJneg0629	Hydroxyretinoic Glucuronide (and isomers) [(M-H)]-	C26H35O9	492.236525	C18rt(min)=8.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0629	Hydroxyretinoic Glucuronide (and isomers) [(M-H)]-	C26H35O9	492.236525	C18rt(min)=8.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002716	SQKM 	C19H36N6O7S	492.2366	NA	PeJP	NA	NA
+PJ002717	PVMF 	C24H36N4O5S	492.2407	NA	PeJP	NA	NA
+PJ002718	VLMM 	C21H40N4O5S2	492.244	NA	PeJP	NA	NA
+PJ002719	GNFR 	C21H32N8O6	492.2445	NA	PeJP	NA	NA
+PJ002720	SCKR 	C18H36N8O6S	492.2479	NA	PeJP	NA	NA
+FL1DACNP0001	2',4',6',3-Tetrahydroxy-3'-geranyl-6'',6''-dimethylpyrano[2'',3'':4,5]dihydrochalcone	C30H36O6	492.25118	205109-18-8	knapsack	NA	NA
+FL2FACNI0005	Amorisin	C30H36O6	492.25118	83474-70-8	knapsack	NA	NA
+FL2FACNI0015	6-Farnesyl-3',4',5,7-tetrahydroxyflavanone	C30H36O6	492.25118	156499-53-5	knapsack	NA	NA
+FL2FALNI0004	Kushenol B	C30H36O6	492.25118	99217-64-8	knapsack	NA	NA
+FL2FALNI0010	Lespedezaflavanone E	C30H36O6	492.25118	133538-69-9	knapsack	NA	NA
+FL2FALNI0035	Macrourone C;5,7,2',4'-Tetrahydroxy-8-prenyl-6-geranylflavanone	C30H36O6	492.25118	344423-27-4	knapsack	NA	NA
+FL4DAANI0009	Sanggenol C;3,5,7,4'-Tetrahydroxy-8-prenyl-3'-geranylflavanone	C30H36O6	492.25118	174423-32-6	knapsack	NA	NA
+FLIBALNI0011	Sophoraisoflavanone D	C30H36O6	492.25118	133740-39-3	knapsack	NA	NA
+MJ073124	2',4',5,7-Tetrahydroxy-3',6,8-triprenylflavanone 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073125	3',4',5,7-Tetrahydroxy-5',6,8-triprenylflavanone 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073126	5,5'-Dimethoxyalloagerasanin 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073127	6-(3,7-Dimethyl-2,6-octadienyl)-2',4',5,7-tetrahydroxy-8-prenylflavanone 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073128	6-Farnesyl-3',4',5,7-tetrahydroxyflavanone 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073129	Kushenol B 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073130	Netzahualcoyondiol; 22-Ketone 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073131	Nymphaeol C 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073132	Sanggenol C 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073133	Sophoraisoflavanone C, 6'-Hydroxy 	C30H36O6	492.251188	NA	MeJP	NA	NA
+MJ073134	?-Diplicatin B 	C30H36O6	492.251188	NA	MeJP	NA	NA
+C09237	Roxburghine B	C31H32N4O2	492.2525	NA	KEGG	NA	NA
+MJ073135	Bezitramide 	C31H32N4O2	492.252526	NA	MeJP	NA	NA
+MJ073136	Isocinchophyllamine; 4',5',6',17-Tetradehydro 	C31H32N4O2	492.252526	NA	MeJP	NA	NA
+MJ073137	Roxburghines 	C31H32N4O2	492.252526	NA	MeJP	NA	NA
+PJ002721	GSTTK 	C19H36N6O9	492.2544	NA	PeJP	NA	NA
+PJ002722	PTLY 	C24H36N4O7	492.2584	NA	PeJP	NA	NA
+PJ002723	AQKF 	C23H36N6O6	492.2697	NA	PeJP	NA	NA
+MJ073138	1,2,3,4,5-Pentahydroxyspirost-25(27)-en-6-one 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073139	2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 2-Butanoyl, 14-Ac Me ester 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073140	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-6,19-diol, 14,15-Dihydro, 19-(2-methylbutanoyl), 6-Ac 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073141	2,19:4,18:15,16-Triepoxy-6,16,19-clerodanetriol, 19-Tigloyl, 6-Ac 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073142	21-Hydroxypregn-4-ene-3,20-dione; ?-D-Glucopyranoside 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073143	3,12-Cyathadiene-11,14,15-triol, 15-Aldehyde, 11-Ac, 14-O-?-D-xylopyranoside 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073144	4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 19-Ac 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073145	4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 6-Ac 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073146	4,18:11,16:15,16-Triepoxy-1,6,19-clerodanetriol, 19-Tigloyl, 6-Ac 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073147	5,9-Epoxy-2,12,14-trihydroxy-6,8-briaradien-18-oic acid; 2-Butanoyl, 14-Ac, Me ester 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073148	6,7-Dihydroxy-15,17-isocopalanolid-16-oic acid, 6-Butanoyl, 7-Ac, Me ester 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073149	6,7-Dihydroxy-15,17-isocopalanolid-16-oic acid, 7-Butanoyl, 6-Ac, Me ester 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073150	Plagiochiline I; 13-Octanoyloxy, Ac 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073151	Soraphen A; 10,11-Di-O-de-Me 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073152	Soraphen A; Derivative 	C27H40O8	492.272318	NA	MeJP	NA	NA
+MJ073153	Sordaricin; O-(6-Deoxy-4-O-methyl-?-D-altropyranoside) 	C27H40O8	492.272318	NA	MeJP	NA	NA
+PJ002724	SKKM 	C20H40N6O6S	492.273	NA	PeJP	NA	NA
+MJ073154	Aphelandrine 	C28H36N4O4	492.273655	NA	MeJP	NA	NA
+MJ073155	Chaenorpine 	C28H36N4O4	492.273655	NA	MeJP	NA	NA
+MJ073156	Mucronine A; N-De-Me 	C28H36N4O4	492.273655	NA	MeJP	NA	NA
+C10010	Mucronine B	C28H36N4O4	492.2737	NA	KEGG	NA	NA
+MJ073157	Pseudothiobinupharidine 	C30H40N2O2S	492.281049	NA	MeJP	NA	NA
+MJ073158	Glidobactin F 	C25H40N4O6	492.294785	NA	MeJP	NA	NA
+PJ002725	VVLY 	C25H40N4O6	492.2948	NA	PeJP	NA	NA
+MJ073159	Flotrenizine 	C31H38F2N2O	492.29522	NA	MeJP	NA	NA
+MJ073160	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(12-Methyltetradecanoyl) 	C30H40N2O4	492.298807	NA	MeJP	NA	NA
+MJ073161	Lophocine 	C30H40N2O4	492.298807	NA	MeJP	NA	NA
+PJ002726	AKKF 	C24H40N6O5	492.306	NA	PeJP	NA	NA
+MJ073162	1(10),4-Germacradien-6-ol, O-(2-O-Angeloyl-4-O-acetyl-?-D-fucopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073163	1(10),4-Germacradien-6-ol, O-(3-O-Angeloyl-2-O-acetyl-?-D-fucopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073164	1(10),4-Germacradien-6-ol, O-[3-O-(3-Methyl-2-butenoyl)-2-O-acetyl-?-D-fucopyranoside] 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073165	10-Aromadendranol, O-(2-O-Acetyl-3-O-angeloyl-?-D-fucopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073166	10-Aromadendranol, O-(2-O-Acetyl-4-O-angeloyl-?-D-fucopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073167	10-Aromadendranol, O-[3-Methyl-2-butenoyl-(?3)-2-O-acetyl-?-D-fucopyranoside] 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073168	2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one, 24,28-Didehydro 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073169	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 4-Hexanoyl, 11-Ac 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073170	22,23-Epoxy-2,3,11,14,20-pentahydroxyergost-7-en-6-one 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073171	3,14,17,20,24,25-Hexahydroxyergosta-7,22-dien-6-one 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073172	6,13-Epoxy-3,4,11-trihydroxy-8-eunicellen-16,12-olide, 11-Octanoyl 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073173	6,13-Epoxy-4,9,11-trihydroxy-8(19)-eunicellen-16,12-olide, 11-Octanoyl 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073174	Lemnabourside B 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073175	Pregn-20-ene-3,4-diol, 4-O-(3-O-Acetyl-?-D-arabinopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073176	Pregn-20-ene-3,4-diol, 4-O-(4-O-Acetyl-?-D-arabinopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073177	Pregn-20-ene-3,4-diol, 4-O-(4-O-Acetyl-?-D-xylopyranoside) 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073178	Pregn-5-ene-3,11,12,14,20-pentol, 12-O-(3-Methylbutanoyl), 11-Ac 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073179	Pregnane-3,12,14,17,20-pentol, 12-Tigloyl, 20-Ac 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073180	Pregnane-3,12,14,17,20-pentol, 20-Tigloyl, 12-Ac 	C28H44O7	492.308703	NA	MeJP	NA	NA
+MJ073181	Protoverbine; N9-(4-Methoxy-E-cinnamoyl) 	C29H40N4O3	492.310041	NA	MeJP	NA	NA
+MJ073182	Protoverbine; N9-(4-Methoxy-Z-cinnamoyl) 	C29H40N4O3	492.310041	NA	MeJP	NA	NA
+MJ073183	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone 	C32H44O4	492.323959	NA	MeJP	NA	NA
+MJ073184	23-Methylergosta-5,22-dien-3-ol, O-Sulfate 	C29H48O4S	492.32733	NA	MeJP	NA	NA
+MJ073185	23-Methylergosta-5,25-dien-3-ol, O-Sulfate 	C29H48O4S	492.32733	NA	MeJP	NA	NA
+MJ073186	Glycerol 1-alkanoates; Glycerol 1-hexadecanoate, 3-O-?-D-Galactopyranoside 	C25H48O9	492.329833	NA	MeJP	NA	NA
+MJ073187	Coryphidine 	C31H44N2O3	492.335193	NA	MeJP	NA	NA
+MJ073188	Bourjotinolone B; 25,26-Dihydro, 25-chloro 	C30H49ClO3	492.337023	NA	MeJP	NA	NA
+MJ073189	Homodolicholide 	C29H48O6	492.345089	NA	MeJP	NA	NA
+MJ073190	Goebeline 	C30H44N4O2	492.346426	NA	MeJP	NA	NA
+MJ073191	17,29-Tritriacontadiene-2,4,6,32-tetrayne-1,8,31-triol 	C33H48O3	492.360345	NA	MeJP	NA	NA
+MJ073192	18,29-Tritriacontadiene-2,4,20,32-tetrayne-1,6,31-triol 	C33H48O3	492.360345	NA	MeJP	NA	NA
+MJ073193	20,24-Epoxy-4,25-dihydroxy-3,4-secodammaran-3-oic acid 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073194	20,24-Epoxydammarane-1,3,12,25-tetrol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073195	20,24-Epoxydammarane-3,12,17,25-tetrol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073196	20,24-Epoxydammarane-3,12,23,25-tetrol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073197	20,24-Epoxydammarane-3,12-25,30-tetrol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073198	21,28-Epoxy-3,18,23,29-baccharanetetrol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073199	21-Baccharene-3,18,23,28,29-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073200	3,14,20,21,24-Serratanepentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073201	3-(3,4,5-Trihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-eicosanoyl 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073202	Cucurbit-5-ene-3,22,23,24,25-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073203	Cycloartane-3,16,24,25,29-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073204	Cycloartane-3,6,16,24,25-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073205	Dammar-23-ene-3,12,17,20,25-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073206	Dammar-25-ene-3,12,17,20,24-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073207	Ergostane-3,5,6,25-tetrol, 25-Ac 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073208	Ergostane-3,5,6,7-tetrol, 7-Ac 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073209	Ergostane-3,6,9,25-tetrol, 25-Ac 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073210	Gorgostane-1,3,5,6,11-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073211	Gorgostane-1,3,5,6,25-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073212	Lanost-8-ene-2,3,12,24,25-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073213	Sipholenol A; 15?,16?-Epoxide, 4-ketone 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073214	Sipholenol C; 16-hydroxy 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073215	Teurilene 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073216	Tirucall-7-ene-3,21,23,24,25-pentol 	C30H52O5	492.381474	NA	MeJP	NA	NA
+MJ073217	Araguspongine C; 3?-Methyl 	C29H52N2O4	492.392708	NA	MeJP	NA	NA
+MJ073218	30-Tetratriacontene-2,4,16,33-tetrayne-1,32-diol 	C34H52O2	492.39673	NA	MeJP	NA	NA
+MJ073219	Callyspongyne B 	C35H56O	492.433116	NA	MeJP	NA	NA
+MJ073220	Cyclostellettamine; Cyclostellettamine A 	C34H56N2	492.444349	NA	MeJP	NA	NA
+MJ073221	Corynomycolic acid, 7',8',11,12-Tetradehydro 	C32H60O3	492.454245	NA	MeJP	NA	NA
+MJ073222	Budmunchiamine L5 	C30H60N4O	492.476712	NA	MeJP	NA	NA
+C08394	Tritriacontane-16,18-dione	C33H64O2	492.4906	NA	KEGG	NA	NA
+MJ073223	10,12-Tritriacontanedione 	C33H64O2	492.490631	NA	MeJP	NA	NA
+MJ073224	12-Oxotritriacontanal 	C33H64O2	492.490631	NA	MeJP	NA	NA
+MJ073225	16,18-Tritriacontanedione 	C33H64O2	492.490631	NA	MeJP	NA	NA
+MJ073226	14-Methyl-15-tritriacontanone 	C34H68O	492.527016	NA	MeJP	NA	NA
+MJ073227	Pentatriacontane 	C35H72	492.563402	NA	MeJP	NA	NA
+MJ073228	10-Heptyl-10-octyleicosane 	C35H72	492.563402	NA	MeJP	NA	NA
+2613	synthetic peptide inhibitors of (PEP)	VYPFPGPIP	492.756	MH2+	Inhouse_peptide	NA	peptide
+3405	ACE inhibitor	YANPAVVRP	492.76045	MH2+	Inhouse_peptide	NA	peptide
+C08104	Cefmetazole sodium	C15H16N7O5S3	493.0273	NA	KEGG	NA	NA
+MJ073229	Cefaparole 	C19H19N5O5S3	493.05483	NA	MeJP	NA	NA
+MJ073230	Kaitocephalin 	C18H21Cl2N3O9	493.065484	NA	MeJP	NA	NA
+C12017	MK826	C21H23N3O7S2	493.0977	NA	KEGG	NA	NA
+C17271	Glucohirsutin	C16H31NO10S3	493.111	NA	KEGG	NA	NA
+MJ073231	8-(Methylthio)octyl glucosinolate; S-Oxide 	C16H31NO10S3	493.111008	NA	MeJP	NA	NA
+MJ073232	Antibiotic SS 228B 	C29H19NO7	493.116151	NA	MeJP	NA	NA
+PJ002727	GPCCD 	C17H27N5O8S2	493.1301	NA	PeJP	NA	NA
+C12140	Malvidin 3-O-glucoside	C23H25O12	493.1346	NA	KEGG	NA	NA
+FL7AAIGA0001	Primulin;Malvidin 3-O-beta-D-galactopyranoside	C23H25O12	493.1346	30113-37-2	knapsack	NA	NA
+FL7AAIGL0001	Oenin;Malvidin 3-O-beta-D-glucopyranoside	C23H25O12	493.1346	7228-78-6	knapsack	NA	NA
+FL7AAIGS0005	Malvidin 5-glucoside	C23H25O12	493.1346	35775-62-3	knapsack	NA	NA
+FL7ABHGA0001	Europinidin 3-galactoside	C23H25O12	493.1346	-	knapsack	NA	NA
+FL7ABHGL0001	Europinidin 3-glucoside	C23H25O12	493.1346	-	knapsack	NA	NA
+C07022	Glyburide	C23H28ClN3O5S	493.1438	NA	KEGG	NA	NA
+MJ073233	Glibenclamide 	C23H28ClN3O5S	493.143819	NA	MeJP	NA	NA
+PJ002728	NDDM 	C17H27N5O10S	493.1479	NA	PeJP	NA	NA
+PJ002729	GSCNN 	C16H27N7O9S	493.1591	NA	PeJP	NA	NA
+C13269	Aspoxicillin	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13270	Transferred to D02417	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13271	Transferred to D01801	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13272	Transferred to D01802	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13273	Transferred to D01803	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13274	Transferred to D01804	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13275	Transferred to D01805	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13276	Transferred to D01806	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13277	Transferred to D01807	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13278	Transferred to D01808	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+C13279	Transferred to D01809	C21H27N5O7S	493.1631	NA	KEGG	NA	NA
+PJ002730	GCEW 	C21H27N5O7S	493.1631	NA	PeJP	NA	NA
+MJ073234	Aspoxicillin 	C21H27N5O7S	493.163118	NA	MeJP	NA	NA
+PJ002731	GSSDE 	C17H27N5O12	493.1656	NA	PeJP	NA	NA
+PJ002732	GSPCM 	C18H31N5O7S2	493.1665	NA	PeJP	NA	NA
+MJ073235	Rocaglatic acid; 3'-Hydroxy, amide 	C27H27NO8	493.173666	NA	MeJP	NA	NA
+MJ073236	Stephabenine; 16-Oxo 	C27H27NO8	493.173666	NA	MeJP	NA	NA
+PJ002733	CWW 	C25H27N5O4S	493.1784	NA	PeJP	NA	NA
+PJ002734	SSDW 	C21H27N5O9	493.1809	NA	PeJP	NA	NA
+PJ002735	SQEM 	C18H31N5O9S	493.1843	NA	PeJP	NA	NA
+PJ002736	SCER 	C17H31N7O8S	493.1955	NA	PeJP	NA	NA
+MJ073237	Pyronaamidine 	C25H27N5O6	493.196133	NA	MeJP	NA	NA
+MJ073238	Antibiotic I5B; Antibiotic I5B2 	C23H32N3O7P	493.197786	NA	MeJP	NA	NA
+PJ002737	GTMW 	C22H31N5O6S	493.1995	NA	PeJP	NA	NA
+PJ002738	GSTTE 	C18H31N5O11	493.202	NA	PeJP	NA	NA
+PJ002739	VNMM 	C19H35N5O6S2	493.2029	NA	PeJP	NA	NA
+PJ002740	SNHH 	C19H27N9O7	493.2034	NA	PeJP	NA	NA
+PJ002741	GMMR 	C18H35N7O5S2	493.2141	NA	PeJP	NA	NA
+3287	NA	RGDF	493.2169	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002742	STTW 	C22H31N5O8	493.2173	NA	PeJP	NA	NA
+PJ002743	SKEM 	C19H35N5O8S	493.2207	NA	PeJP	NA	NA
+PJ002744	GDFR 	C21H31N7O7	493.2285	NA	PeJP	NA	NA
+MJ073239	Ryanodine 	C25H35NO9	493.231181	NA	MeJP	NA	NA
+C08705	Ryanodine	C25H35NO9	493.2312	NA	KEGG	NA	NA
+PJ002745	STMR 	C18H35N7O7S	493.2319	NA	PeJP	NA	NA
+PJ002746	AAFW 	C26H31N5O5	493.2325	NA	PeJP	NA	NA
+MJ073240	?-Lactorphin 	C26H31N5O5	493.232519	NA	MeJP	NA	NA
+PJ002747	PCKF 	C23H35N5O5S	493.2359	NA	PeJP	NA	NA
+PJ002748	SSSTL 	C19H35N5O10	493.2384	NA	PeJP	NA	NA
+PJ002749	CLKM 	C20H39N5O5S2	493.2393	NA	PeJP	NA	NA
+CJneg0630	Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (13C)	C2513CH35O9	493.239825	C18rt(min)=8.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0630	Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (13C)	C2513CH35O9	493.239825	C18rt(min)=8.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ073241	Kobusine; 6-Hydroxy, O15-(3,4-dimethoxybenzoyl) 	C29H35NO6	493.246437	NA	MeJP	NA	NA
+C12153	Epothilone A	C26H39NO6S	493.2498	NA	KEGG	NA	NA
+MJ073242	Epothilone A 	C26H39NO6S	493.249808	NA	MeJP	NA	NA
+PJ002750	SPKY 	C23H35N5O7	493.2537	NA	PeJP	NA	NA
+MJ073243	Paraherquamide A 	C28H35N3O5	493.257671	NA	MeJP	NA	NA
+MJ073244	Imatinib 	C29H31N7O	493.259008	NA	MeJP	NA	NA
+7052	bovine hexapeptide derived from lactoferricin B (B	RRWQWR	493.2595	MH2+	Inhouse_peptide	NA	peptide
+PJ002751	GVRY 	C22H35N7O6	493.2649	NA	PeJP	NA	NA
+MJ073245	Bonvalol; O6-Ac 	C26H39NO8	493.267567	NA	MeJP	NA	NA
+MJ073246	Dictyocarpinine; 16-De-Me, 14-Me ether, 6-Ac 	C26H39NO8	493.267567	NA	MeJP	NA	NA
+MJ073247	Dictyocarpinine; 6-Ac 	C26H39NO8	493.267567	NA	MeJP	NA	NA
+MJ073248	Erythrophleum C24 Alkaloid; 3-Ac 	C26H39NO8	493.267567	NA	MeJP	NA	NA
+MJ073249	Erythrosuamine; 3?-Acetoxy, N-de-Me 	C26H39NO8	493.267567	NA	MeJP	NA	NA
+PJ002752	RRY 	C21H35N9O5	493.2761	NA	PeJP	NA	NA
+7696	ACE inhibitor from wakame	AIYK	493.278	antioxidative	Inhouse_peptide	NA	peptide
+MJ073250	Antibiotic L 697318; 18?-Hydroxy 	C30H39NO5	493.282823	NA	MeJP	NA	NA
+MJ073251	Cytochalasin O; O21-Ac 	C30H39NO5	493.282823	NA	MeJP	NA	NA
+MJ073252	Epoxycytochalasin H 	C30H39NO5	493.282823	NA	MeJP	NA	NA
+MJ073253	Zoanthamine; 17-Alcohol, 13,14,17,18-tetradehydro 	C30H39NO5	493.282823	NA	MeJP	NA	NA
+MJ073254	Zygosporin D; 17-Deoxo, 21-Ac 	C30H39NO5	493.282823	NA	MeJP	NA	NA
+MJ073255	3,5,6-Trihydroxy-6-undecyl-2-piperidinecarboxylic acid; 6-O-?-D-Glucopyranoside 	C23H43NO10	493.288696	NA	MeJP	NA	NA
+C15701	Syringolin A	C24H39N5O6	493.29	NA	KEGG	NA	NA
+MJ073256	Syringolin A 	C24H39N5O6	493.290034	NA	MeJP	NA	NA
+PJ002753	ALKY 	C24H39N5O6	493.2901	NA	PeJP	NA	NA
+PJ002754	PLKH 	C23H39N7O5	493.3013	NA	PeJP	NA	NA
+MJ073257	Chasmanine; 14-Ac 	C27H43NO7	493.303952	NA	MeJP	NA	NA
+MJ073258	Delcorine; O6-Me 	C27H43NO7	493.303952	NA	MeJP	NA	NA
+MJ073259	Dictyocarpinine; 6,10,14-Tri-Me ether 	C27H43NO7	493.303952	NA	MeJP	NA	NA
+MJ073260	Senbusine A; O1,O14-Di-Me, O6-Ac 	C27H43NO7	493.303952	NA	MeJP	NA	NA
+MJ073261	Senbusine C; 15-Epimer, 8,15-O-isopropylidene 	C27H43NO7	493.303952	NA	MeJP	NA	NA
+MJ073262	Zygadenine 	C27H43NO7	493.303952	NA	MeJP	NA	NA
+C10831	Zygadenine	C27H43NO7	493.304	NA	KEGG	NA	NA
+MJ073263	Combimicin B2 	C21H43N5O8	493.311163	NA	MeJP	NA	NA
+MJ073264	Gentamicin C; Gentamicin C2b, 2-Hydroxy, 6'-N-Me 	C21H43N5O8	493.311163	NA	MeJP	NA	NA
+MJ073265	Vinylamycin 	C26H43N3O6	493.315186	NA	MeJP	NA	NA
+HMDB10383	LysoPC(16:1(9Z))	C24H48NO7P	493.316833	NA	HMDB2010	NA	NA
+EUR711	LysoPE (20:1) [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR719	Lyso PC 16:1 monoisotopic mass 	C24H48NO7P	493.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR866	Lyso PE 20:1 [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR711	LysoPE (20:1) [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR719	Lyso PC 16:1 monoisotopic mass 	C24H48NO7P	493.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR866	Lyso PE 20:1 [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR711	LysoPE (20:1) [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR719	Lyso PC 16:1 monoisotopic mass 	C24H48NO7P	493.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR866	Lyso PE 20:1 [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR711	LysoPE (20:1) [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR719	Lyso PC 16:1 monoisotopic mass 	C24H48NO7P	493.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR866	Lyso PE 20:1 [M-H-CH3]-	C25H50NO7P	493.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR569	LysoPC(16:1)	[M+H]+	493.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR569	LysoPC(16:1)	[M+H]+	493.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR569	LysoPC(16:1)	[M+H]+	493.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR569	LysoPC(16:1)	NA	493.316875	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR569	LysoPC(16:1)	[M+H]+	493.316875	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR569	LysoPC(16:1)	NA	493.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ073266	Indanomycin 	C31H43NO4	493.319208	NA	MeJP	NA	NA
+MJ073267	Sarcotragin A 	C31H43NO4	493.319208	NA	MeJP	NA	NA
+MJ073268	Tiamulin 	C28H47NO4S	493.322579	NA	MeJP	NA	NA
+C12065	Tiamulin	C28H47NO4S	493.3226	NA	KEGG	NA	NA
+MJ073269	Holantogenin; 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C28H47NO6	493.340338	NA	MeJP	NA	NA
+MJ073270	Holantogenin; 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-D-xylo-hexopyranoside) 	C28H47NO6	493.340338	NA	MeJP	NA	NA
+MJ073271	Holantogenin; 3-O-(4-Amino-2,4,6-trideoxy-3-O-methyl-?-L-arabino-hexopyranoside) 	C28H47NO6	493.340338	NA	MeJP	NA	NA
+MJ073272	Lycocaroline; Didehydro 	C32H51N3O	493.403213	NA	MeJP	NA	NA
+MJ073273	Impacarzine 	C28H55N5O2	493.435576	NA	MeJP	NA	NA
+C14368	Decachlorobiphenyl	C12Cl10	493.6885	NA	KEGG	NA	NA
+MJ073274	1,4,7-Tribromo-3,6,8-trichloro-3,7-dimethyl-2-octanol 	C10H16Br3Cl3O	493.781686	NA	MeJP	NA	NA
+MJ073275	Amathamide E 	C15H17Br3N2O2	493.884015	NA	MeJP	NA	NA
+MJ073276	Iodoalphionic acid 	C15H12I2O3	493.887581	NA	MeJP	NA	NA
+MetaCyc03707	7,8-dihydroneopterin 3'-triphosphate [6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin;6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin;6-(D-erythro-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate;H2NTP;2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate;dihydroneopterin triphosphate;]	C9H15N5O13P3	493.98792	NA	metacyc	NA	NA
+MJ073277	Mannitol, 1,2,5,6-Tetramesyl 	C10H22O14S4	493.989238	NA	MeJP	NA	NA
+MJ073278	Flurantel 	C19H12F6N2O7	494.054869	NA	MeJP	NA	NA
+MJ073279	Thiazohalostatin 	C20H25Cl3N2O4S	494.060061	NA	MeJP	NA	NA
+FL3FFGGS0001	8-Hydroxytricetin 7-glucuronide	C21H18O14	494.06965	119262-69-0	knapsack	NA	NA
+FL5FAGGS0005	Myricetin 3-glucuronide	C21H18O14	494.06965	77363-65-6	knapsack	NA	NA
+FL5FFCGS0002	Gossypetin 3-glucuronide	C21H18O14	494.06965	36190-94-0	knapsack	NA	NA
+FL5FFCGS0006	Gossypetin 8-glucuronide	C21H18O14	494.06965	55366-56-8	knapsack	NA	NA
+MJ073280	3',4',5,5',7,8-Hexahydroxyflavone; 7-O-?-D-Glucuronoside 	C21H18O14	494.069655	NA	MeJP	NA	NA
+MJ073281	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Glucuronopyranoside 	C21H18O14	494.069655	NA	MeJP	NA	NA
+MJ073282	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucuronoside 	C21H18O14	494.069655	NA	MeJP	NA	NA
+MJ073283	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucuronopyranoside 	C21H18O14	494.069655	NA	MeJP	NA	NA
+MJ073284	Gliovirin; N-Me 	C21H22N2O8S2	494.081757	NA	MeJP	NA	NA
+C06774	11-O-Demethyl-7-methoxypradinone II	C25H18O11	494.0849	NA	KEGG	NA	NA
+MJ073285	Griseorhodin C; 7,8-Dideoxy 	C25H18O11	494.084911	NA	MeJP	NA	NA
+MJ073286	3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 3'-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073287	3',4',5,6,7,8-Hexahydroxyflavone; 8-Me ether, 7-O-?-D-glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073288	3',4',5,6,7-Pentahydroxy-3-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073289	3,3',4',5',7-Pentahydroxy-5-methoxyflavone; 3-O-Galactoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073290	3,3',4',5,5',7,8-Heptahydroxyflavone; 8-Me ether, 3-O-?-L-rhamnopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073291	3,3',4',5,6,7,8-Heptahydroxyflavone; 6,8-Di-Me ether, 3-O-?-L-arabinopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073292	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-?-D-glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073293	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-galactoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073294	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 4'-O-?-D-glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073295	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 6-O-?-D-glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073296	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073297	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073298	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 5-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073299	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073300	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073301	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073302	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073303	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-D-Galactoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073304	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 8-O-?-D-Galactopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073305	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 8-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073306	3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073307	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073308	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073309	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 5'-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073310	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073311	3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073312	3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 3-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073313	3,4',5,6,7-Pentahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073314	3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C22H22O13	494.10604	NA	MeJP	NA	NA
+MJ073315	6-Galloylglucose; ?-D-Pyranose-form, 1-(3,4-Dihydroxycinnamoyl)(E-) 	C22H22O13	494.10604	NA	MeJP	NA	NA
+FL3FGCGS0010	Pleurostimin 7-glucoside;5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside	C22H22O13	494.10604	-	knapsack	NA	NA
+FL5FAHGA0001	Laricitrin 3-galactoside	C22H22O13	494.10604	71393-05-0	knapsack	NA	NA
+FL5FAHGL0001	Laricitrin 3-glucoside	C22H22O13	494.10604	39986-90-8	knapsack	NA	NA
+FL5FAHGS0002	Laricitrin 7-glucoside	C22H22O13	494.10604	89345-45-9	knapsack	NA	NA
+FL5FAHGS0003	Laricitrin 5'-glucoside	C22H22O13	494.10604	123442-26-2	knapsack	NA	NA
+FL5FAJGA0002	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside;2-(3,5-Dihydroxy-4-methoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	C22H22O13	494.10604	230283-36-0	knapsack	NA	NA
+FL5FBGGA0001	Myricetin 5-methyl ether 3-galactoside	C22H22O13	494.10604	28454-89-9	knapsack	NA	NA
+FL5FBGGL0001	Myricetin 5-methyl ether 3-glucoside	C22H22O13	494.10604	56691-93-1	knapsack	NA	NA
+FL5FBGGS0002	Myricetin 5-methyl ether 7-glucoside	C22H22O13	494.10604	56691-92-0	knapsack	NA	NA
+FL5FCGGA0001	Europetin 3-galactoside	C22H22O13	494.10604	115381-61-8	knapsack	NA	NA
+FL5FDGGS0003	Annulatin 3'-glucoside	C22H22O13	494.10604	31105-82-5	knapsack	NA	NA
+FL5FECGA0001	Patuletin 3-galactoside	C22H22O13	494.10604	35399-34-9	knapsack	NA	NA
+FL5FECGA0003	Quercetagetin 3'-methyl ether 3-galactoside	C22H22O13	494.10604	128351-80-4	knapsack	NA	NA
+FL5FECGL0003	Patuletin 3-glucoside	C22H22O13	494.10604	19833-27-3	knapsack	NA	NA
+FL5FECGL0008	Quercetagetin 7-methyl ether 3-glucoside	C22H22O13	494.10604	65180-49-6	knapsack	NA	NA
+FL5FECGL0009	Quercetagetin 3'-methyl ether 3-glucoside	C22H22O13	494.10604	128351-79-1	knapsack	NA	NA
+FL5FECGS0003	Quercetagetin 3-methyl ether 6-glucoside	C22H22O13	494.10604	64190-89-2	knapsack	NA	NA
+FL5FECGS0004	Quercetagetin 3-methyl ether 7-glucoside	C22H22O13	494.10604	76060-29-2	knapsack	NA	NA
+FL5FECGS0008	Patuletin 5-glucoside	C22H22O13	494.10604	83086-28-6	knapsack	NA	NA
+FL5FECGS0009	Patuletin 7-galactoside	C22H22O13	494.10604	146396-37-4	knapsack	NA	NA
+FL5FECGS0010	Patuletin 7-glucoside	C22H22O13	494.10604	19833-25-1	knapsack	NA	NA
+FL5FECGS0012	Quercetagetin 3'-methyl ether 7-glucoside	C22H22O13	494.10604	29741-08-0	knapsack	NA	NA
+FL5FECGS0060	Quercetagetin 7-methyl ether 6-glucoside;2-(3,4-Dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C22H22O13	494.10604	224623-24-9	knapsack	NA	NA
+FL5FECGS0061	Quercetagetin 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3,5,6-trihydroxy-7-methoxy-4H-1-benzopyran-4-one	C22H22O13	494.10604	235741-63-6	knapsack	NA	NA
+FL5FFCGA0002	Ranupenin 3-galactoside	C22H22O13	494.10604	67539-55-3	knapsack	NA	NA
+FL5FFCGA0004	Corniculatusin 3-galactoside	C22H22O13	494.10604	27560-04-9	knapsack	NA	NA
+FL5FFCGL0004	Ranupenin 8-glucoside	C22H22O13	494.10604	67550-03-2	knapsack	NA	NA
+FL5FFCGL0006	Corniculatusin 3-glucoside	C22H22O13	494.10604	85966-34-3	knapsack	NA	NA
+FL5FFCGS0012	Haploside B	C22H22O13	494.10604	77240-00-7	knapsack	NA	NA
+FL5FFGGS0001	Hibiscetin 8-methyl ether 3-rhamnoside;8-Hydroxymyricetin 8-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-8-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C22H22O13	494.10604	167499-81-2	knapsack	NA	NA
+FL5FGCGS0001	3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 3-alpha-L-arabinopyranoside	C22H22O13	494.10604	122327-79-1	knapsack	NA	NA
+MJ073316	7-Chloro-5-hydroxytetracycline 	C22H23ClN2O9	494.109208	NA	MeJP	NA	NA
+MJ073317	Elsamicin A; 2'-O-Deglycosyl 	C26H22O10	494.121296	NA	MeJP	NA	NA
+MJ073318	Hydnocarpin D; 5'-Methoxy 	C26H22O10	494.121296	NA	MeJP	NA	NA
+MJ073319	Hydnocarpin; 5''-Methoxy 	C26H22O10	494.121296	NA	MeJP	NA	NA
+MJ073320	Salvianolic acid A 	C26H22O10	494.121296	NA	MeJP	NA	NA
+C10492	Salvianolic acid A	C26H22O10	494.1213	NA	KEGG	NA	NA
+C11162	5'-Methoxyhydnocarpin-D	C26H22O10	494.1213	NA	KEGG	NA	NA
+MJ073321	Echinothiophene 	C23H26O10S	494.124667	NA	MeJP	NA	NA
+MJ073322	Sucrose; 1'-O-(3,4,5-Trihydroxybenzoyl) 	C19H26O15	494.12717	NA	MeJP	NA	NA
+MJ073323	Sucrose; 2-O-(3,4,5-Trihydroxybenzoyl) 	C19H26O15	494.12717	NA	MeJP	NA	NA
+MJ073324	Sucrose; 4'-O-(3,4,5-Trihydroxybenzoyl) 	C19H26O15	494.12717	NA	MeJP	NA	NA
+MJ073325	Sucrose; 6'-O-(3,4,5-Trihydroxybenzoyl) 	C19H26O15	494.12717	NA	MeJP	NA	NA
+MJ073326	Sucrose; 6-O-(3,4,5-Trihydroxybenzoyl) 	C19H26O15	494.12717	NA	MeJP	NA	NA
+MetaCyc03708	N-adenylyl-L-phenylalanine []	C19H23N6O8P1	494.131498	NA	metacyc	NA	NA
+C03709	N-Adenylyl-L-phenylalanine	C19H23N6O8P	494.1315	NA	KEGG	NA	NA
+PJ002755	DDDM 	C17H26N4O11S	494.1319	NA	PeJP	NA	NA
+MJ073327	Decursidinol, 3'-O-(3-Chloro-2-hydroxy-2-methylbutanoyl), 4'-O-(2,3-epoxy-2-methylbutanoyl) 	C24H27ClO9	494.13436	NA	MeJP	NA	NA
+MJ073328	1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione 	C30H22O7	494.136553	NA	MeJP	NA	NA
+MJ073329	3-[[(6-Methoxy-10-methyl-1H,3H-benzo[h]furo[4,3,2-de]-2-benzopyran-1-yl)oxy]methyl]-5-methylnaphtho[2,3-b]furan-4,9-dione 	C30H22O7	494.136553	NA	MeJP	NA	NA
+MJ073330	Bongosin 	C30H22O7	494.136553	NA	MeJP	NA	NA
+MJ073331	Palmidin B 	C30H22O7	494.136553	NA	MeJP	NA	NA
+FL2F3GGS0001	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside	C23H26O12	494.14242	115236-25-4	knapsack	NA	NA
+FL2FAIGS0001	Peruvianoside I;Pervianoside I;(2R)-5,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside	C23H26O12	494.14242	450407-24-6	knapsack	NA	NA
+FL2FAIGS0002	Peruvianoside II;(2S)-2,7,4'-Trihydroxy-3',5'-methoxyflavanone 5-glucoside	C23H26O12	494.14242	450407-31-5	knapsack	NA	NA
+FL4DFAGS0003	Dihydroprudomenin	C23H26O12	494.14242	24512-61-6	knapsack	NA	NA
+MJ073332	2',5,5',7,8-Pentahydroxyflavanone, 7,8-Di-Me ether, 2'-O-?-D-glucopyranoside 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073333	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone; 3,5,6-Tri-Me ether, 7-methoxy 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073334	3',4',5',7,8-Pentahydroxyflavanone, 3',5'-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073335	3,4',5,7,8-Pentahydroxyflavanone, 4',8-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073336	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073337	5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one; 7-(2,3,6-Tri-O-acetyl-?-D-glucopyranoside) 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073338	5-(2-Propenyl)-1,2,3-benzenetriol; 1-Me ether, 3-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073339	Gardoside; 7-(4-Hydroxybenzoyl) 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073340	Geniposidic acid; 10-(4-Hydroxybenzoyl) 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073341	Sweroside; 2'-O-(2,3-Dihydroxybenzoyl) 	C23H26O12	494.142426	NA	MeJP	NA	NA
+MJ073342	Sweroside; 6'-O-(2,3-Dihydroxybenzoyl) 	C23H26O12	494.142426	NA	MeJP	NA	NA
+PJ002756	GSCND 	C16H26N6O10S	494.1431	NA	PeJP	NA	NA
+MJ073343	Carindacillin 	C26H26N2O6S	494.151157	NA	MeJP	NA	NA
+MJ073344	Gilvocarcin V 	C27H26O9	494.157682	NA	MeJP	NA	NA
+PJ002757	CNQM 	C17H30N6O7S2	494.1618	NA	PeJP	NA	NA
+MJ073345	Antibiotic SF 2415B3 	C26H32Cl2O5	494.162679	NA	MeJP	NA	NA
+MJ073346	Nikkomycin B 	C21H26N4O10	494.164893	NA	MeJP	NA	NA
+MJ073347	1,5-Bis(1,3-dimethyl-6-lumazinyl)-2-methyl-1,5-pentanedione 	C22H22N8O6	494.16623	NA	MeJP	NA	NA
+PJ002758	SEEM 	C18H30N4O10S	494.1683	NA	PeJP	NA	NA
+PJ002759	CCNR 	C16H30N8O6S2	494.173	NA	PeJP	NA	NA
+MJ073348	2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide 	C23H25F3N4O5	494.177704	NA	MeJP	NA	NA
+C09783	Harpagoside	C24H30O11	494.1788	NA	KEGG	NA	NA
+MJ073349	1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethylene, 3',4,4',5'-Tetra-Me ether, 2-O-?-D-glucopyranoside 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073350	4,5-Epoxy-3,8,13-trihydroxy-1-oxo-7(11)-germacren-12,6-olide, 8-(4-Acetoxy-3-methyl-2Z-butenoyl), 13-Ac 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073351	Ajugol; 6-O-(4-Hydroxy-E-cinnamoyl) 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073352	Dihydrocatalpolgenin; 10-Z-Cinnamoyl, 1-O-?-D-glucopyranoside(1?-) 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073353	Harpagide; 8-O-E-Cinnamoyl 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073354	Harpagide; 8-O-Z-Cinnamoyl 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073355	Loganic acid; 7-O-Benzoyl, Me ester 	C24H30O11	494.178811	NA	MeJP	NA	NA
+MJ073356	Paeonidanin 	C24H30O11	494.178811	NA	MeJP	NA	NA
+PJ002760	GSSNM 	C17H30N6O9S	494.1795	NA	PeJP	NA	NA
+MJ073357	Senacarcin A 	C25H26N4O7	494.180149	NA	MeJP	NA	NA
+PJ002761	PCEF 	C22H30N4O7S	494.1835	NA	PeJP	NA	NA
+PJ002762	VDMM 	C19H34N4O7S2	494.1869	NA	PeJP	NA	NA
+PJ002763	SDHH 	C19H26N8O8	494.1874	NA	PeJP	NA	NA
+C10994	Amdro	C25H24F6N4	494.1905	NA	KEGG	NA	NA
+MJ073358	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(4-Methoxybenzoyl), 11-(2-methyl-2-butenoyl) 	C28H30O8	494.194067	NA	MeJP	NA	NA
+MJ073359	Tajixanthone; 14-Methoxy, 25-Ac 	C28H30O8	494.194067	NA	MeJP	NA	NA
+MJ073360	Picrasidine C 	C29H26N4O4	494.195405	NA	MeJP	NA	NA
+MJ073361	Staurosporine; 4'-N-Formyl 	C29H26N4O4	494.195405	NA	MeJP	NA	NA
+PJ002764	SSSSQ 	C17H30N6O11	494.1973	NA	PeJP	NA	NA
+PJ002765	CNKM 	C18H34N6O6S2	494.1981	NA	PeJP	NA	NA
+PJ002766	GGCKM 	C18H34N6O6S2	494.1982	NA	PeJP	NA	NA
+MJ073362	Patriscabrol; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C21H34O13	494.199941	NA	MeJP	NA	NA
+PJ002767	SPEY 	C22H30N4O9	494.2013	NA	PeJP	NA	NA
+MJ073363	Antibiotic EI 1511-3 	C27H30N2O7	494.205301	NA	MeJP	NA	NA
+PJ002768	AMHH 	C20H30N8O5S	494.206	NA	PeJP	NA	NA
+MJ073364	6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 17,21-Di-Ac 	C26H32F2O7	494.211609	NA	MeJP	NA	NA
+MJ073365	Fluocinolone; 16,17-Acetonide, 21-Ac 	C26H32F2O7	494.211609	NA	MeJP	NA	NA
+PJ002769	GQQY 	C21H30N6O8	494.2125	NA	PeJP	NA	NA
+MJ073366	1,7-Bis(3,4-dihydroxyphenyl)-3-heptanol, 3-O-?-D-Glucopyranoside 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073367	12,16-Dihydro-6,7,12,14-tetrahydroxy-16-oxovinhaticoic acid, 6,7-Di-Ac, Me ester 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073368	2,8,9,15-Tetrahydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Methylpropanoyl), 9-(2-methylbutanoyl), Me ester 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073369	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, O-(3,6-Di-O-acetyl-?-D-glucopyranoside) 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073370	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylpropanoyl), Me ester (1) 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073371	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylpropanoyl), Me ester (2) 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073372	Bondenolide 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073373	Gibberellin A20; 13-O-?-D-Glucopyranoside 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073374	Gibberellin A4; ?-D-Glucopyranosyl ester 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073375	Glaucarubol; 2-Ketone, 15-(2-hydroxy-2-methylbutanoyl) 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073376	Glaucarubol; 2-Ketone, 15-(3-hydroxy-3-methylbutanoyl) 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073377	Indaquassin D 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073378	Marmin, 6'-O-?-D-Glucopyranoside 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073379	Marmin, 7'-O-?-D-Glucopyranoside 	C25H34O10	494.215197	NA	MeJP	NA	NA
+MJ073380	Secoisolariciresinol, 9-O-?-D-Xylopyranoside 	C25H34O10	494.215197	NA	MeJP	NA	NA
+C08763	Glaucarubinone	C25H34O10	494.2152	NA	KEGG	NA	NA
+C08784	Soularubinone	C25H34O10	494.2152	NA	KEGG	NA	NA
+PJ002770	GSTCK 	C18H34N6O8S	494.2159	NA	PeJP	NA	NA
+MJ073381	Oreganic acid 	C22H38O10S	494.218568	NA	MeJP	NA	NA
+PJ002771	PCLY 	C23H34N4O6S	494.2199	NA	PeJP	NA	NA
+PJ002772	TLMM 	C20H38N4O6S2	494.2233	NA	PeJP	NA	NA
+MJ073382	Clocortolone; 21-(2,2-Dimethylpropanoyl) 	C27H36ClFO5	494.22353	NA	MeJP	NA	NA
+PJ002773	TTHH 	C20H30N8O7	494.2238	NA	PeJP	NA	NA
+MJ073383	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073384	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073385	1-(3,7-Dimethyl-2,6-octadienyl)-2,3,6,8-tetrahydroxy-7-(3-methyl-2-butenyl)xanthone, 2-Me ether, 4''-hydroxy 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073386	2,14-Dihydroxy-5,8(17),11-briaratrien-18,7-olide, 11?,12?-Epoxide, 2-benzoyl, 14-Ac 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073387	2,3,6,8-Tetrahydroxy-1-(3,7-dimethyl-2,6-octadienyl)-5-prenylxanthone, 2-Me ether, 4''-hydroxy 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073388	Bisevoleptin A 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073389	Forbesione; 7-Methoxy 	C29H34O7	494.230453	NA	MeJP	NA	NA
+MJ073390	Microlenin 	C29H34O7	494.230453	NA	MeJP	NA	NA
+C09510	Microlenin	C29H34O7	494.2305	NA	KEGG	NA	NA
+MJ073391	Furodysinin, 14-Mercapto, disulfide dimer 	C30H38O2S2	494.231321	NA	MeJP	NA	NA
+PJ002774	SSSSK 	C18H34N6O10	494.2337	NA	PeJP	NA	NA
+MJ073392	2,6-Dimethyl-2,6-octadiene-1,8-diol, 1,8-Di-O-?-D-glucopyranoside 	C22H38O12	494.236326	NA	MeJP	NA	NA
+MJ073393	Ustiloxin D 	C23H34N4O8	494.237664	NA	MeJP	NA	NA
+PJ002775	ALEY 	C23H34N4O8	494.2377	NA	PeJP	NA	NA
+CJneg0631	Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (18O)	C26H35O818O	494.241625	C18rt(min)=8.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0631	Hydroxyretinoic Glucuronide (and isomers) [(M-H)]- (18O)	C26H35O818O	494.241625	C18rt(min)=8.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ073394	Cezomycin 	C28H34N2O6	494.241686	NA	MeJP	NA	NA
+MJ073395	N,N'-Bis(4-amino-2-methyl-6-quinolinyl)-2,2-di-2-propenylpropanediamide 	C29H30N6O2	494.243024	NA	MeJP	NA	NA
+C13783	UCL 1684	C34H30N4	494.247	NA	KEGG	NA	NA
+MJ073396	6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 21-(2,2-Dimethylpropanoyl) 	C27H36F2O6	494.247995	NA	MeJP	NA	NA
+PJ002776	GQKY 	C22H34N6O7	494.2489	NA	PeJP	NA	NA
+MJ073397	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 7,9,10-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073398	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 7,9,13-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073399	11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073400	12,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073401	16-Kaurene-1,3,6,7,11,15-hexol, 1,7,11-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073402	16-Kaurene-1,3,6,7,11,15-hexol, 7,11,15-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073403	16-Kaurene-2,3,6,7,11,15-hexol, 3,6,7-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073404	16-Kaurene-2,3,6,7,11,15-hexol, 3,7,11-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073405	18-Hydroxy-3,13-clerodadien-16,15-olide, 18-Carboxylic acid, ?-D-glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073406	2,19:4,18:11,16:15,16-Tetraepoxy-3,6,19-clerodanetriol, 19-(2-Methylpropanoyl), 6-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073407	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-(2-Methylpropanoyl), 6-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073408	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 2-(2-Methylbutanoyl), 8-butanoyl, 10-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073409	3,13-Clerodadien-15,12-olid-18-oic acid, ?-D-Glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073410	3,19-Dihydroxy-8(17),11,13-labdatrien-16,15-olide, 19-O-?-D-Glucopyranoside 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073411	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 2,10,13-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073412	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 7,9,10-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073413	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-(Methylpropanoyl), 11-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073414	4,18:11,16:15,16-Triepoxy-6,14,19-clerodanetriol, Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073415	4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-(2-Methylpropanoyl), 19-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073416	6,13:9,12-Diepoxy-8(19)-eunicellene-2,3,4,9-tetrol, 2,3,4-Tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073417	6,13:9,12-Diepoxy-8(19)-eunicellene-2,3,4,9-tetrol, ?7-Isomer(Z), 2,3,4-tri-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073418	6,7-Dihydroxy-16-kauren-19-oic acid, 7-Ketone, 6-O-?-D-glucopyranoside 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073419	7,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073420	7,20-Epoxy-1,6,7,11,17-pentahydroxy-15-kauranone, 17-Et ether, 1,11-di-Ac 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073421	9,15-Dihydroxy-16-atisen-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073422	9,15-Dihydroxy-16-kauren-19-oic acid, 15-Ketone, ?-D-glucopyranosyl ester 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073423	Antibiotic SI 4228D 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073424	Luminacin; Luminacin E1 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073425	Luminacin; Luminacin E3 	C26H38O9	494.251582	NA	MeJP	NA	NA
+MJ073426	Valtrate; 7,11-Bisdeacyl, 7-O-(3-methylpentanoyl), 11-O-(3-hydroxy-3-methylbutanoyl) 	C26H38O9	494.251582	NA	MeJP	NA	NA
+PJ002777	VVMF 	C24H38N4O5S	494.2563	NA	PeJP	NA	NA
+PJ002778	PNKH 	C21H34N8O6	494.2602	NA	PeJP	NA	NA
+FL1DACNI0002	2',4',6',3,4-Pentahydroxy-3'-geranyl-5-prenyldihydrochalcone	C30H38O6	494.26683	205109-19-9	knapsack	NA	NA
+MJ073427	2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid; 23-Aldehyde, 29-Me ester 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073428	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Cinnamoyl 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073429	3-Hydroxyambrosin damsinate 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073430	Artesieversin 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073431	Azadirone; 11?-Acetoxy 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073432	Azadirone; 11?-Acetoxy 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073433	Azadirone; 6?-Acetoxy 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073434	Azadirone; 6?-Acetoxy 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073435	Biperezone 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073436	Caleamyrcenolide 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073437	Celastrol; 21-Oxo, 15?-hydroxy, Me ester 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073438	Netzahualcoyondiol 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073439	Pinoresinol, Bis-O-(3-methyl-2-butenyl) 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073440	Podachaenin 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073441	Ripostatin A 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073442	Ripostatin C 	C30H38O6	494.266838	NA	MeJP	NA	NA
+MJ073443	Buchtienine 	C31H34N4O2	494.268176	NA	MeJP	NA	NA
+MJ073444	Isocinchophyllamine; 4',17-Didehydro 	C31H34N4O2	494.268176	NA	MeJP	NA	NA
+MJ073445	Usambarensine; 1R',2',3',4'-Tetrahydro, Nb-methoxycarbonyl(?-) 	C31H34N4O2	494.268176	NA	MeJP	NA	NA
+MJ073446	3,26-Dihydroxycholesta-7,22-dien-6-one, 26-Sulfate 	C27H42O6S	494.270209	NA	MeJP	NA	NA
+MJ073447	3-Hydroxycholesta-5,24-dien-19-oic acid, 3-Sulfate 	C27H42O6S	494.270209	NA	MeJP	NA	NA
+PJ002779	SLLY 	C24H38N4O7	494.2741	NA	PeJP	NA	NA
+MJ073448	Alteramide A; 25-Deoxy 	C29H38N2O5	494.278072	NA	MeJP	NA	NA
+MJ073449	Antibiotic SS 8201B 	C29H38N2O5	494.278072	NA	MeJP	NA	NA
+MJ073450	Joramine; 2'-Hydroxy 	C23H38N6O6	494.285282	NA	MeJP	NA	NA
+PJ002780	GKKY 	C23H38N6O6	494.2853	NA	PeJP	NA	NA
+MJ073451	1,3-Dihydroxypregn-16-en-20-one, 3-O-?-D-Glucopyranoside 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073452	2,19-Dihydroxy-13(16)-isocopalen-15-oic acid, 2,19-Di-Ac, (1,3-dihydroxy-2-propyl) ester 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073453	2,3,14,22,25-Pentahydroxy-6-oxocholest-7-en-26-oic acid 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073454	3,14-Dihydroxypregn-5-en-20-one, 3-O-?-D-Glucopyranoside 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073455	3,16-Dihydroxy-13(17)-mansumbinen-28-oic acid, 16-O-?-L-Arabinofuranoside 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073456	3,19-Dihydroxy-13(16)-isocopalen-15-oic acid, 3,19-Di-Ac, (1,3-dihydroxy-2-propyl) ester 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073457	3,4-Epoxy-11,14-dihydroxy-12-cyathen-15-al, 11-Et ether, 14-O-?-D-xylopyranoside 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073458	Soraphen A; 12,13-Dihydro, 10,11-bis-O-de-Me 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073459	Soraphen R; 10-Me ether 	C27H42O8	494.287968	NA	MeJP	NA	NA
+MJ073460	N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium(1+) 	C33H39N2O2(+)	494.293328	NA	MeJP	NA	NA
+MJ073461	Allothiobinupharidine 	C30H42N2O2S	494.296699	NA	MeJP	NA	NA
+MJ073462	Neothiobinupharidine 	C30H42N2O2S	494.296699	NA	MeJP	NA	NA
+MJ073463	Thiobinupharidine 	C30H42N2O2S	494.296699	NA	MeJP	NA	NA
+C09990	Thiobinupharidine	C30H42N2O2S	494.2967	NA	KEGG	NA	NA
+MJ073464	Lacrimin A 	C31H42O5	494.303224	NA	MeJP	NA	NA
+MJ073465	Milbemycin ?3 	C31H42O5	494.303224	NA	MeJP	NA	NA
+MJ073466	6,7?-Oxidodeoxynupharidine dimer 	C30H42N2O4	494.314457	NA	MeJP	NA	NA
+MJ073467	Aragusterol C 	C29H47ClO4	494.316287	NA	MeJP	NA	NA
+PJ002781	LLLH 	C24H42N6O5	494.3217	NA	PeJP	NA	NA
+MJ073468	2,3,11,14,20,22-Hexahydroxyergost-7-en-6-one 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073469	2,3,14,20,22,24-Hexahydroxyergost-7-en-6-one 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073470	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 25-Me ether 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073471	2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073472	2,3,14,20,22,26-Hexahydroxyergost-7-en-6-one 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073473	Ergosta-7,22-diene-2,3,5,6,9,11,19-heptol 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073474	Pregn-5-ene-3,17,20-triol, 3-O-?-D-Digitalopyranoside 	C28H46O7	494.324353	NA	MeJP	NA	NA
+MJ073475	Pregnane-3,12,14,17,20-pentol, 12-(2-Methylbutanoyl), 20-Ac 	C28H46O7	494.324353	NA	MeJP	NA	NA
+C08829	Makisterone B	C28H46O7	494.3244	NA	KEGG	NA	NA
+C16874	Makisterone A	C28H46O7	494.3244	NA	KEGG	NA	NA
+C09043	Auricularine	C33H42N4	494.3409	NA	KEGG	NA	NA
+MJ073476	Auricularine 	C33H42N4	494.340947	NA	MeJP	NA	NA
+MJ073477	Borreverine; N4-Me 	C33H42N4	494.340947	NA	MeJP	NA	NA
+MJ073478	Isoborreverine; N4-Me 	C33H42N4	494.340947	NA	MeJP	NA	NA
+MJ073479	28-Homobrassinolide 	C29H50O6	494.360739	NA	MeJP	NA	NA
+MJ073480	Cholestane-3,5,6,15,18-pentol, 18-Ac 	C29H50O6	494.360739	NA	MeJP	NA	NA
+MJ073481	Schkuhrianol 	C29H50O6	494.360739	NA	MeJP	NA	NA
+MJ073482	Stigmastane-3,5,6,15,29-pentol, 29-Carboxylic acid 	C29H50O6	494.360739	NA	MeJP	NA	NA
+MJ073483	17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol; 17,18-Didehydo 	C33H50O3	494.375995	NA	MeJP	NA	NA
+MJ073484	2,6,10,15,19,23-Hexamethyl-6,10,14,18-tetracosatetraene-2,3,22,23-tetrol, 1-Hydroxy 	C30H54O5	494.397124	NA	MeJP	NA	NA
+MJ073485	Quassiol A 	C30H54O5	494.397124	NA	MeJP	NA	NA
+MJ073486	Quassiol C 	C30H54O5	494.397124	NA	MeJP	NA	NA
+MJ073487	20(29)-Lupen-3-ol, 2E-Butenoyl 	C34H54O2	494.41238	NA	MeJP	NA	NA
+MJ073488	28-Hydroxy-7,16,18-hentriacontanetrione 	C31H58O4	494.43351	NA	MeJP	NA	NA
+MJ073489	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Dodecanoyl 	C31H58O4	494.43351	NA	MeJP	NA	NA
+MJ073490	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Dodecanoyl 	C31H58O4	494.43351	NA	MeJP	NA	NA
+MJ073491	Polyprenol; Betulaprenol 7 	C35H58O	494.448766	NA	MeJP	NA	NA
+MJ073492	Budmunchiamine C; 10'-Oxo 	C29H58N4O2	494.455977	NA	MeJP	NA	NA
+MJ073493	Budmunchiamine C; 9'-Oxo 	C29H58N4O2	494.455977	NA	MeJP	NA	NA
+MJ073494	Corynomycolic acid, 11,12-Didehydro 	C32H62O3	494.469895	NA	MeJP	NA	NA
+MJ073495	C36 Botryococcene 	C36H62	494.485151	NA	MeJP	NA	NA
+MJ073496	Budmunchiamine K; N1-De-Me 	C30H62N4O	494.492362	NA	MeJP	NA	NA
+MJ073497	Budmunchiamine K; N13-De-Me 	C30H62N4O	494.492362	NA	MeJP	NA	NA
+MJ073498	Budmunchiamine K; N9-De-Me 	C30H62N4O	494.492362	NA	MeJP	NA	NA
+MJ073499	18-Hydroxy-16-tritriacontanone 	C33H66O2	494.506281	NA	MeJP	NA	NA
+MJ073500	28-Hydroxy-10-triacontanone 	C33H66O2	494.506281	NA	MeJP	NA	NA
+MJ073501	Tritriacontanoic acid 	C33H66O2	494.506281	NA	MeJP	NA	NA
+MJ073502	1-Methoxy-2,28-dimethylhentriacontane 	C34H70O	494.542666	NA	MeJP	NA	NA
+MJ073503	1-Tetratriacontanol 	C34H70O	494.542666	NA	MeJP	NA	NA
+MJ073504	11-Methyl-1-tritriacontanol 	C34H70O	494.542666	NA	MeJP	NA	NA
+MJ073505	31-Methyl-1-tritriacontanol 	C34H70O	494.542666	NA	MeJP	NA	NA
+MJ073506	32-Methyl-1-tritriacontanol 	C34H70O	494.542666	NA	MeJP	NA	NA
+7406	celiac sprue gluten epitope found in secalin	QQHPQQPQ	494.726	MH2+	Inhouse_peptide	NA	peptide
+2586	tenecin-1 (33-43)	YCNGKRVCVCR~	494.78745	MH2+	Inhouse_peptide	NA	peptide
+MJ073507	Dysidenin; 13-Demethyl, 5-epimer, 11-dechloro 	C16H22Cl5N3O2S	494.987536	NA	MeJP	NA	NA
+MJ073508	Dysidenin; 13-Demethyl, 5-epimer, 9-dechloro 	C16H22Cl5N3O2S	494.987536	NA	MeJP	NA	NA
+MJ073509	Brindoxime 	C18H19Br2N5O2	494.99055	NA	MeJP	NA	NA
+C04895	2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine	C9H16N5O13P3	494.9957	NA	KEGG	NA	NA
+MJ073510	2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate 	C9H16N5O13P3	494.995745	NA	MeJP	NA	NA
+MetaCyc03709	dihydromonapterin-triphosphate [H2MTP;6-(L-threo-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate;]	C9H16N5O13P3	494.995745	NA	metacyc	NA	NA
+MetaCyc03710	6-[(1S,2R)-1,2-dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin [2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl dihydropteridine triphosphate;6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin;]	C9H16N5O13P3	494.995745	NA	metacyc	NA	NA
+HMDB00980	Dihydroneopterin triphosphate	C9H16N5O13P3	494.995758	NA	HMDB2010	NA	NA
+HMDB00980	Dihydroneopterin triphosphate	C9H16N5O13P3	494.99576	http://www.hmdb.ca/metabolites/HMDB00980	HMDB	NA	NA
+HMDB00980	Dihydroneopterin triphosphate	C9H16N5O13P3	494.99576	HMDB00980	PFEM_hmdb_metabocards_official	NA	NA
+MJ073511	1-[(Hydroxymethyl)propyl] glucosinolate; O-Benzoyl 	C18H25NO11S2	495.086902	NA	MeJP	NA	NA
+MJ073512	4-Hydroxybutyl glucosinolate; Benzoyl 	C18H25NO11S2	495.086902	NA	MeJP	NA	NA
+C16426	Isopentenyladenosine-5'-diphosphate	C15H23N5O10P2	495.092	NA	KEGG	NA	NA
+MetaCyc03711	isopentenyladenosine-5'-diphosphate [iPDP;isopentenyladenosine riboside-5'-diphosphate;iPRDP;]	C15H23N5O10P2	495.092015	NA	metacyc	NA	NA
+MJ073513	Antibiotic L 640876 	C22H21N7O3S2	495.114728	NA	MeJP	NA	NA
+MJ073514	Polyoxin L; 5-Fluoro 	C16H22FN5O12	495.124899	NA	MeJP	NA	NA
+PJ002782	GSCDD 	C16H25N5O11S	495.1272	NA	PeJP	NA	NA
+MJ073515	Alkaloid CB2 	C24H21N3O9	495.127779	NA	MeJP	NA	NA
+PJ002783	APCCC 	C17H29N5O6S3	495.128	NA	PeJP	NA	NA
+PJ002784	CNEM 	C17H29N5O8S2	495.1458	NA	PeJP	NA	NA
+C17731	Sodium folinate	C20H22N7O7	495.1478	NA	KEGG	NA	NA
+MJ073516	Carminomycin I; 9-Deoxy, 9,10-didehydro 	C26H25NO9	495.152931	NA	MeJP	NA	NA
+PJ002785	CCDR 	C16H29N7O7S2	495.157	NA	PeJP	NA	NA
+MJ073517	Aureonuclemycin; O9-Me, 4-Ac, Me ester 	C20H25N5O10	495.160142	NA	MeJP	NA	NA
+MJ073518	Nikkomycin X 	C20H25N5O10	495.160142	NA	MeJP	NA	NA
+MJ073519	Nikkomycin Z 	C20H25N5O10	495.160142	NA	MeJP	NA	NA
+MJ073520	Nikkomycin pseudo-Z 	C20H25N5O10	495.160142	NA	MeJP	NA	NA
+PJ002786	GCMW 	C21H29N5O5S2	495.161	NA	PeJP	NA	NA
+PJ002787	GSSDM 	C17H29N5O10S	495.1635	NA	PeJP	NA	NA
+PJ002788	STCW 	C21H29N5O7S	495.1788	NA	PeJP	NA	NA
+MJ073521	Nicomorphine 	C29H25N3O5	495.17942	NA	MeJP	NA	NA
+PJ002789	SSSSE 	C17H29N5O12	495.1813	NA	PeJP	NA	NA
+PJ002790	SQMM 	C18H33N5O7S2	495.1822	NA	PeJP	NA	NA
+MJ073522	Clopimozide 	C28H28ClF2N3O	495.188896	NA	MeJP	NA	NA
+PJ002791	SCMR 	C17H33N7O6S2	495.1934	NA	PeJP	NA	NA
+C11201	Isometamidium chloride	C28H26N7	495.1938	NA	KEGG	NA	NA
+MJ073523	Isometamidium(1+); Chloride 	C28H26ClN7	495.193821	NA	MeJP	NA	NA
+PJ002792	GQEY 	C21H29N5O9	495.1965	NA	PeJP	NA	NA
+PJ002793	GGAEY 	C21H29N5O9	495.1966	NA	PeJP	NA	NA
+PJ002794	GSTTM 	C18H33N5O9S	495.1999	NA	PeJP	NA	NA
+MJ073524	Amipurimycin 	C20H29N7O8	495.20776	NA	MeJP	NA	NA
+PJ002795	PNEH 	C20H29N7O8	495.2078	NA	PeJP	NA	NA
+PJ002796	QYW 	C25H29N5O6	495.2118	NA	PeJP	NA	NA
+PJ002797	AQMF 	C22H33N5O6S	495.2152	NA	PeJP	NA	NA
+C15626	GW 1929	C30H29N3O4	495.2158	NA	KEGG	NA	NA
+MJ073525	N-(2-Benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]tyrosine 	C30H29N3O4	495.215806	NA	MeJP	NA	NA
+PJ002798	SSTTT 	C18H33N5O11	495.2177	NA	PeJP	NA	NA
+PJ002799	SKMM 	C19H37N5O6S2	495.2185	NA	PeJP	NA	NA
+PJ002800	GPHW 	C24H29N7O5	495.223	NA	PeJP	NA	NA
+MJ073526	7,18-Dihydroxy-16,18-dimethyl-10-phenyl-21,23-dioxa[13]cytochalasa-5,13,19-triene-1,17,22-trione 	C28H33NO7	495.225702	NA	MeJP	NA	NA
+MJ073527	Cytochalasin E 	C28H33NO7	495.225702	NA	MeJP	NA	NA
+PJ002801	ACFR 	C21H33N7O5S	495.2264	NA	PeJP	NA	NA
+PJ002802	GKEY 	C22H33N5O8	495.2329	NA	PeJP	NA	NA
+MJ073528	2,3-Dihydro-1-(3-hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carboxamide 	C25H32F3N3O4	495.234491	NA	MeJP	NA	NA
+EUR855	Lyso PE 18:4 [M+Na]+	C23H40NO7P	495.236188	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR855	Lyso PE 18:4 [M+Na]+	C23H40NO7P	495.236188	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR855	Lyso PE 18:4 [M+Na]+	C23H40NO7P	495.236188	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR855	Lyso PE 18:4 [M+Na]+	C23H40NO7P	495.236188	masses lipides attendues	Inhousejuil11	NA	NA
+MJ073529	Andrimid; 3-Epimer, 3-hydroxy 	C27H33N3O6	495.236935	NA	MeJP	NA	NA
+MJ073530	Capparidisine 	C27H33N3O6	495.236935	NA	MeJP	NA	NA
+MJ073531	Capparisine; 28-Methoxy 	C27H33N3O6	495.236935	NA	MeJP	NA	NA
+MJ073532	Cerebrocrast 	C26H35F2NO6	495.243244	NA	MeJP	NA	NA
+PJ002803	GTRY 	C21H33N7O7	495.2442	NA	PeJP	NA	NA
+MJ073533	Antibiotic AB 3217A; 13-O-(6-Hydroxy-6-methylheptanoyl) 	C25H37NO9	495.246831	NA	MeJP	NA	NA
+PJ002804	KYW 	C26H33N5O5	495.2482	NA	PeJP	NA	NA
+PJ002805	AKMF 	C23H37N5O5S	495.2516	NA	PeJP	NA	NA
+PJ002806	SPHR 	C20H33N9O6	495.2554	NA	PeJP	NA	NA
+MJ073534	Heteratisine; O6-Benzoyl 	C29H37NO6	495.262087	NA	MeJP	NA	NA
+MJ073535	Lythrancine I; O11-Ac 	C29H37NO6	495.262087	NA	MeJP	NA	NA
+MJ073536	Norzoanthamine; 11-Oxo 	C29H37NO6	495.262087	NA	MeJP	NA	NA
+MJ073537	Zampanolide 	C29H37NO6	495.262087	NA	MeJP	NA	NA
+PJ002807	SVKY 	C23H37N5O7	495.2693	NA	PeJP	NA	NA
+MJ073538	Antibiotic WA 3854; Antibiotic WA 3854A, 1-Aldehyde 	C28H37N3O5	495.273321	NA	MeJP	NA	NA
+PJ002808	VLQH 	C22H37N7O6	495.2806	NA	PeJP	NA	NA
+MJ073539	Browniine; O6-De-Me, O6-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073540	Delbine; O1,O14-Di-Me, O8-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073541	Delcosine; O14-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073542	Delectinine; 14-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073543	Delphatine; 19-Oxo 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073544	Delsoline; O6-De-Me, O6-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073545	Neoline; 10-Hydroxy, O14-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073546	Pubescenine 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073547	Senbusine C; 8-Ac 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+MJ073548	Talitine C; O1-De-Ac, O1-Me 	C26H41NO8	495.283217	NA	MeJP	NA	NA
+C07222	Mibefradil	C29H38FN3O3	495.2897	NA	KEGG	NA	NA
+C07223	Transferred to D00416	C29H38FN3O3	495.2897	NA	KEGG	NA	NA
+MJ073549	Mibefradil 	C29H38FN3O3	495.28972	NA	MeJP	NA	NA
+C17705	Antibiotic JI-20B	C20H41N5O9	495.2904	NA	KEGG	NA	NA
+MJ073550	Antibiotic JI 20B 	C20H41N5O9	495.290427	NA	MeJP	NA	NA
+PJ002809	ALHR 	C21H37N9O5	495.2918	NA	PeJP	NA	NA
+MJ073551	Karakoline; O1-Me ether, O14-benzoyl 	C30H41NO5	495.298473	NA	MeJP	NA	NA
+MJ073552	Karakoline; O14-Me, O1-benzoyl 	C30H41NO5	495.298473	NA	MeJP	NA	NA
+MJ073553	Zoanthamine 	C30H41NO5	495.298473	NA	MeJP	NA	NA
+PJ002810	GPPLL 	C24H41N5O6	495.3057	NA	PeJP	NA	NA
+PJ002811	VLKH 	C23H41N7O5	495.3169	NA	PeJP	NA	NA
+MJ073554	Sabine 	C27H45NO7	495.319602	NA	MeJP	NA	NA
+CJpos0810	Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+	C24H51NO7P	495.331975	C18rt(min)=11.67 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0810	Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+	C24H51NO7P	495.331975	C18rt(min)=11.67 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ073555	Martinelline; Parent acid 	C27H41N7O2	495.332173	NA	MeJP	NA	NA
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR581	LysoPC(16:0)	[M+H]+	495.332175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR581	LysoPC(16:0)	[M+H]+	495.332175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR581	LysoPC(16:0)	[M+H]+	495.332175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR581	LysoPC(16:0)	NA	495.332175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR581	LysoPC(16:0)	[M+H]+	495.332175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR581	LysoPC(16:0)	NA	495.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10382	LysoPC(16:0)	C24H50NO7P	495.332489	NA	HMDB2010	NA	NA
+MJ073556	?-Lysolecithin 	C24H50NO7P	495.332489	NA	MeJP	NA	NA
+EUR654	Lyso PC 16:0 monoisotopic mass 	C24H50NO7P	495.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR706	Lyso PE (20:0) [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR861	Lyso PE 20:0 [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR654	Lyso PC 16:0 monoisotopic mass 	C24H50NO7P	495.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR706	Lyso PE (20:0) [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR861	Lyso PE 20:0 [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR654	Lyso PC 16:0 monoisotopic mass 	C24H50NO7P	495.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR706	Lyso PE (20:0) [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR861	Lyso PE 20:0 [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR654	Lyso PC 16:0 monoisotopic mass 	C24H50NO7P	495.332492	masses lipides attendues	Inhousejuil11	NA	NA
+EUR706	Lyso PE (20:0) [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	Inhousejuil11	NA	NA
+EUR861	Lyso PE 20:0 [M-H-CH3]-	C25H52NO7P	495.332492	masses lipides attendues	Inhousejuil11	NA	NA
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	HMDB	NA	NA
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	Inhouse_PFEM	NA	NA
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis012	Lysophosphatidylcholine 16 0	HMDB10382_RT15.32_add	495.3331	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+MJ073557	Indanomycin; 8,9-Dihydro 	C31H45NO4	495.334858	NA	MeJP	NA	NA
+MJ073558	Cytosine arabinoside; ?-D-Furanose-form, N4-Octadecyl 	C27H49N3O5	495.367221	NA	MeJP	NA	NA
+MJ073559	Rhodopeptin; Rhodopeptin C2 	C26H49N5O4	495.378455	NA	MeJP	NA	NA
+MJ073560	Rhodopeptin; Rhodopeptin C3 	C26H49N5O4	495.378455	NA	MeJP	NA	NA
+MJ073561	Lipstatin; Tetrahydro 	C29H53NO5	495.392373	NA	MeJP	NA	NA
+MJ073562	Lycocaroline 	C32H53N3O	495.418863	NA	MeJP	NA	NA
+3430	NA	QTSMTDFY	495.69115	MH2+	Inhouse_peptide	NA	peptide
+2601	tachykinin family from white shrimp Penaeus vannam	APSGFLGMRG	495.7387	MH2+	Inhouse_peptide	NA	peptide
+7860	peptide isolated from marine rotifier (Brachionus rotundiformis)	LLGPGLTNHA	495.76545	MH2+	Inhouse_peptide	NA	peptide
+MJ073563	2,5,5'-Tribromo-7'-methoxy-3,4'-bi-1H-indole 	C17H11Br3N2O	495.84215	NA	MeJP	NA	NA
+MJ073564	3',5,5'-Tribromo-7'-methoxy-3,4'-bi-1H-indole 	C17H11Br3N2O	495.84215	NA	MeJP	NA	NA
+MJ073565	Echinosu 	C17H10Br2N2O4S	495.872802	NA	MeJP	NA	NA
+MetaCyc03712	D-myo-inositol (1,4,5,6)-tetrakisphosphate [inositol (1,4,5,6)-tetrakisphosphate;1D-myo-inositol (1,4,5,6)-tetrakisphosphate;Ins(1,4,5,6)P4;I(1,4,5,6)P4;]	C6H12O18P4	495.89741	NA	metacyc	NA	NA
+MetaCyc03713	D-myo-inositol (1,2,3,4) tetrakisphosphate [1D-myo-inositol (1,2,3,4) tetrakisphosphate;myo-inositol (1,2,3,4) tetrakisphosphate;Ins(1,2,3,4)P4;I(1,2,3,4)P4;]	C6H12O18P4	495.89741	NA	metacyc	NA	NA
+MetaCyc03714	D-myo-inositol (1,2,3,6) tetrakisphosphate [1D-myo-inositol (1,2,3,6) tetrakisphosphate;Ins(1,2,3,6)P4;I(1,2,3,6)P4;]	C6H12O18P4	495.89741	NA	metacyc	NA	NA
+MetaCyc03715	D-myo-inositol (1,2,5,6) tetrakisphosphate [1D-myo-inositol (1,2,5,6) tetrakisphosphate;Ins(1,2,5,6)P4;I(1,2,5,6)P4;]	C6H12O18P4	495.89741	NA	metacyc	NA	NA
+MetaCyc03716	D-myo-inositol (1,3,4,5)-tetrakisphosphate [Ins(1,3,4,5)P4;inositol (1,3,4,5)-tetrakisphosphate;1D-myo-inositol (1,3,4,5)-tetrakisphosphate;]	C6H12O18P4	495.89741	NA	metacyc	NA	NA
+MetaCyc03717	D-myo-inositol (1,3,4,6)-tetrakisphosphate [Ins(1,3,4,6)P4;inositol (1,3,4,6)-tetrakisphosphate;1D-myo -inositol 1,3,4,6-tetrakisphosphate;]	C6H12O18P4	495.89741	NA	metacyc	NA	NA
+MJ073566	Amathamide E; Dihydro 	C15H19Br3N2O2	495.899665	NA	MeJP	NA	NA
+MJ073567	3,20-Dibromo-21-ethyl-2,6-epoxy-1-oxa-2,5,14,17-cycloheneicosatetraen-11-yn-4-one 	C22H26Br2O3	496.024869	NA	MeJP	NA	NA
+MJ073568	3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-3,6,9,18(22),21-pentaen-12-yn-20-one; 19,20-Dihydro, 2,19-dibromo 	C22H26Br2O3	496.024869	NA	MeJP	NA	NA
+MJ073569	Galactaric acid; 1,4-Lactone, 3,5-bis-O-(3,4,5-trihydroxybenzoyl) 	C20H16O15	496.048919	NA	MeJP	NA	NA
+MJ073570	Eckol; O2-(2,4,6-Trihydroxyphenyl) 	C24H16O12	496.064175	NA	MeJP	NA	NA
+MJ073571	Laccaic acid B 	C24H16O12	496.064175	NA	MeJP	NA	NA
+MJ073572	Flomoxef 	C15H18F2N6O7S2	496.064644	NA	MeJP	NA	NA
+MJ073573	Euxanmodin A 	C28H16O9	496.079432	NA	MeJP	NA	NA
+MJ073574	Euxanmodin B 	C28H16O9	496.079432	NA	MeJP	NA	NA
+MJ073575	Irieol F 	C20H34Br2O4	496.082384	NA	MeJP	NA	NA
+FL5FFCGL0014	Hibiscetin 3-glucoside	C21H20O14	496.0853	482-34-8	knapsack	NA	NA
+MJ073576	3,3',4',5,5',7,8-Heptahydroxyflavone; 3-O-?-D-Glucopyranoside 	C21H20O14	496.085305	NA	MeJP	NA	NA
+MJ073577	Quinic acid, 1,4-Bis(3,4,5-trihydroxybenzoyl) 	C21H20O14	496.085305	NA	MeJP	NA	NA
+MJ073578	Quinic acid, 1,5-Bis(3,4,5-trihydroxybenzoyl) 	C21H20O14	496.085305	NA	MeJP	NA	NA
+MJ073579	Quinic acid, 3,4-Bis(3,4,5-trihydroxybenzoyl) 	C21H20O14	496.085305	NA	MeJP	NA	NA
+MJ073580	Quinic acid, 3,5-Bis(3,4,5-trihydroxybenzoyl) 	C21H20O14	496.085305	NA	MeJP	NA	NA
+MJ073581	Quinic acid, 4,5-Bis(3,4,5-trihydroxybenzoyl) 	C21H20O14	496.085305	NA	MeJP	NA	NA
+MJ073582	Kinamycin F; 1,2,4-Tri-Ac 	C24H20N2O10	496.111794	NA	MeJP	NA	NA
+MJ073583	Kinamycin F; 2,3,4-Tri-Ac 	C24H20N2O10	496.111794	NA	MeJP	NA	NA
+MJ073584	Yuccaol A 	C29H20O8	496.115817	NA	MeJP	NA	NA
+MJ073585	3,3',4',5,5',7-Hexahydroxy-6-methylflavanone, 3'-O-?-D-Glucopyranoside 	C22H24O13	496.12169	NA	MeJP	NA	NA
+FL4DAGGM0001	Cedrinoside	C22H24O13	496.12169	75423-03-9	knapsack	NA	NA
+C14803	1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene	C20H24N4O9S	496.1264	NA	KEGG	NA	NA
+C14804	1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene	C20H24N4O9S	496.1264	NA	KEGG	NA	NA
+C14805	1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene	C20H24N4O9S	496.1264	NA	KEGG	NA	NA
+C14806	1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene	C20H24N4O9S	496.1264	NA	KEGG	NA	NA
+PJ002812	CDEM 	C17H28N4O9S2	496.1298	NA	PeJP	NA	NA
+MJ073586	Aegicin 	C26H24O10	496.136946	NA	MeJP	NA	NA
+MJ073587	Cadensin D; 8-Methoxy 	C26H24O10	496.136946	NA	MeJP	NA	NA
+MJ073588	Gyrophoric acid; 2'',4-Di-Me ether 	C26H24O10	496.136946	NA	MeJP	NA	NA
+MJ073589	Gyrophoric acid; 2,4-Di-Me ether 	C26H24O10	496.136946	NA	MeJP	NA	NA
+MJ073590	Gyrophoric acid; 4-Me ether, Me ester 	C26H24O10	496.136946	NA	MeJP	NA	NA
+PJ002813	GSCCQ 	C16H28N6O8S2	496.141	NA	PeJP	NA	NA
+MJ073591	Napyradiomycin A2 	C25H30Cl2O6	496.141944	NA	MeJP	NA	NA
+MJ073592	1,5,6,9,12-Pentahydroxy-7-protoilluden-14-al, 5-(3-Chloro-2-hydroxy-4-methoxy-6-methylbenzoyl) 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073593	18-Chloro-12,20:15,16-diepoxy-4,7,19,20-tetrahydroxy-7,13(16),14-clerodatrien-6-one, 19,20-di-Ac 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073594	18-Chloro-15,16-epoxy-4,6,19-trihydroxy-3-oxo-13(16),14-clerodadien-20,12-olide, 7,19-Di-Ac 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073595	6-Chloro-2,3-epoxy-8,9,11-trihydroxy-12-oxo-5(16),13-briaradien-18,7-olide; 9,11-Di-Ac 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073596	6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 9-Epimer, 12-ketone, 2,9-di-Ac 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073597	6-Chloro-2,8,9,11-tetrahydroxy-12-oxo-3,5(16),13-briaratrien-18,7-olide; 2,9-Di-Ac 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073598	6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9,11-di-Ac 	C24H29ClO9	496.15001	NA	MeJP	NA	NA
+MJ073599	6,7-Dihydro-1,4',5',6,9-pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-8,10'(5H,9'H)-dione 	C30H24O7	496.152203	NA	MeJP	NA	NA
+MJ073600	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073601	1,5-Bis(3,4-dihydroxyphenyl)-4,5-dihydroxy-1-pentanone, 4-O-?-D-Glucopyranoside 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073602	1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 2-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073603	1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 3'-Methoxy, 2-O-[4-hydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073604	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Dihydroxy-2-methylpropanoyl), 13,14-di-Ac 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073605	2-(3,4-Dihydroxyphenyl)-1-propanol, 3'-Me ether, 4'-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073606	3,3',4,4',5,7-Hexahydroxyflavan, 4',7-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073607	Aucubigenin; 10-O-(4-Hydroxy-3-methoxybenzoyl), 1-O-?-D-glucopyranoside 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073608	Byakangelicin, 2'-O-?-D-Glucopyranoside 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073609	Byakangelicin, 3'-O-?-D-Glucopyranoside 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073610	Isobyakangelicin, 3'-O-?-D-Glucopyranoside 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073611	Loganic acid; 7-Epimer, 7-O-(3-hydroxybenzoyl) 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073612	Loganic acid; 8-Epimer, 7-(4-hydroxybenzoyl) 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073613	Musabalbisiane A 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073614	Mussaendoside L 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073615	Mussaenosidic acid; 2'-(4-Hydroxybenzoyl) 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073616	Mussaenosidic acid; 6'-(4-Hydroxybenzoyl) 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073617	Paeoniflorin; 4''-Hydroxy 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073618	Squalestatin H9 	C23H28O12	496.158076	NA	MeJP	NA	NA
+MJ073619	Tecomoside; 7-(4-Hydroxybenzoyl) 	C23H28O12	496.158076	NA	MeJP	NA	NA
+PJ002814	SSSCN 	C16H28N6O10S	496.1588	NA	PeJP	NA	NA
+PJ002815	PCDY 	C21H28N4O8S	496.1628	NA	PeJP	NA	NA
+PJ002816	SEMM 	C18H32N4O8S2	496.1662	NA	PeJP	NA	NA
+MJ073620	Bisorbibetanone 	C27H28O9	496.173332	NA	MeJP	NA	NA
+MJ073621	Chrysomycin B 	C27H28O9	496.173332	NA	MeJP	NA	NA
+MJ073622	Gilvocarcin E 	C27H28O9	496.173332	NA	MeJP	NA	NA
+MJ073623	Podophyllotoxin; Angeloyl 	C27H28O9	496.173332	NA	MeJP	NA	NA
+MJ073624	Steganol, 7-Epimer, angeloyl 	C27H28O9	496.173332	NA	MeJP	NA	NA
+MJ073625	Steganol, Angeloyl 	C27H28O9	496.173332	NA	MeJP	NA	NA
+PJ002817	CNNF 	C20H28N6O7S	496.174	NA	PeJP	NA	NA
+PJ002818	GGGGCF 	C20H28N6O7S	496.1741	NA	PeJP	NA	NA
+MJ073626	Staurosporine; 4'-N-Hydroxy, 4'-N-de-Me, 4'-N-formyl 	C28H24N4O5	496.174669	NA	MeJP	NA	NA
+MJ073627	3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide, 3-Sulfate 	C24H32O9S	496.176703	NA	MeJP	NA	NA
+PJ002819	GSCCK 	C17H32N6O7S2	496.1774	NA	PeJP	NA	NA
+MJ073628	4-[4-[4-(3-Oxo-1,2-benzisothiazol-2(3H)-yl)butyl]-1-piperazinyl]-1H-indole-2-carboxylic acid; S,S-Dioxide, Me ester 	C25H28N4O5S	496.17804	NA	MeJP	NA	NA
+PJ002820	GEEY 	C21H28N4O10	496.1806	NA	PeJP	NA	NA
+PJ002821	PCMF 	C22H32N4O5S2	496.1814	NA	PeJP	NA	NA
+MJ073629	Neomangicol A; Dechloro, 23-bromo 	C25H37BrO5	496.182436	NA	MeJP	NA	NA
+MJ073630	[[3,3'-[[2-[2-(4-Morpholinyl)ethyl]-1,3-propanediyl]diimino]bis[3-methyl-2-butanone]dioximato](3-)-N,N',N'',N''']oxotechnetium 	C19H36N5O4Tc	496.183945	NA	MeJP	NA	NA
+MJ073631	Pumiloside; 7-Deoxy 	C26H28N2O8	496.184565	NA	MeJP	NA	NA
+C16725	Deoxypumiloside	C26H28N2O8	496.1846	NA	KEGG	NA	NA
+PJ002822	CLMM 	C19H36N4O5S3	496.1848	NA	PeJP	NA	NA
+PJ002823	TCHH 	C19H28N8O6S	496.1853	NA	PeJP	NA	NA
+MJ073632	Carsatrin 	C25H26F2N6OS	496.185686	NA	MeJP	NA	NA
+MJ073633	Punaglandin 3 	C25H33ClO8	496.186395	NA	MeJP	NA	NA
+PJ002824	SNNY 	C20H28N6O9	496.1918	NA	PeJP	NA	NA
+MJ073634	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether, 8-(2-methylpropenoyl), 5,10-di-Ac 	C24H32O11	496.194461	NA	MeJP	NA	NA
+MJ073635	1-(2,3,4-Trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)ethane; 3',4,4',5'-Tetra-Me ether, 2-O-?-D-glucopyranoside 	C24H32O11	496.194461	NA	MeJP	NA	NA
+MJ073636	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 4-O-?-D-xylopyranoside 	C24H32O11	496.194461	NA	MeJP	NA	NA
+PJ002825	EYW 	C25H28N4O7	496.1958	NA	PeJP	NA	NA
+PJ002826	SPMY 	C22H32N4O7S	496.1992	NA	PeJP	NA	NA
+MJ073637	1(10?19)-Abeo-7-acetoxyobacun-9(11)-ene; 7?-form 	C28H32O8	496.209718	NA	MeJP	NA	NA
+MJ073638	Drummondin D 	C28H32O8	496.209718	NA	MeJP	NA	NA
+MJ073639	Griffonianone A 	C28H32O8	496.209718	NA	MeJP	NA	NA
+MJ073640	Isodrummondin D 	C28H32O8	496.209718	NA	MeJP	NA	NA
+MJ073641	Territrem C; 3'-Demethoxy, 4'-Me ether 	C28H32O8	496.209718	NA	MeJP	NA	NA
+MJ073642	Trichodimerol 	C28H32O8	496.209718	NA	MeJP	NA	NA
+MJ073643	Citreoindole 	C29H28N4O4	496.211055	NA	MeJP	NA	NA
+MJ073644	Staurosporine; 10-Methoxy 	C29H28N4O4	496.211055	NA	MeJP	NA	NA
+MJ073645	Staurosporine; 5'?-Hydroxy, N-Me 	C29H28N4O4	496.211055	NA	MeJP	NA	NA
+MJ073646	Cerberidol; 3,10-Di-O-?-D-allopyranoside 	C21H36O13	496.215591	NA	MeJP	NA	NA
+PJ002827	SVEY 	C22H32N4O9	496.2169	NA	PeJP	NA	NA
+PJ002828	GHHF 	C23H28N8O5	496.2183	NA	PeJP	NA	NA
+MJ073647	Antibiotic EI 1625-2 	C27H32N2O7	496.220951	NA	MeJP	NA	NA
+MJ073648	Antibiotic X 14885A 	C27H32N2O7	496.220951	NA	MeJP	NA	NA
+MJ073649	Amcinafide 	C29H33FO6	496.226116	NA	MeJP	NA	NA
+MJ073650	Betamethasone; 17-Benzoyl 	C29H33FO6	496.226116	NA	MeJP	NA	NA
+MJ073651	Flumoxonide 	C26H34F2O7	496.227259	NA	MeJP	NA	NA
+C08760	Glaucarubin	C25H36O10	496.2308	NA	KEGG	NA	NA
+MJ073652	4-Hydroxy-10(14),11(13)-guaiadien-12,8-olide, 11?,13-Dihydro, 4-O-(2,6-di-O-acetyl-?-D-glucopyranoside) 	C25H36O10	496.230847	NA	MeJP	NA	NA
+MJ073653	Glaucarubol; 15-(2-Hydroxy-2-methylbutanoyl) 	C25H36O10	496.230847	NA	MeJP	NA	NA
+PJ002829	APFY 	C26H32N4O6	496.2322	NA	PeJP	NA	NA
+PJ002830	ALMY 	C23H36N4O6S	496.2356	NA	PeJP	NA	NA
+MJ073654	Asterriquinol D; 1'-(1,1-Dimethyl-2-propenyl), di-Me ether 	C31H32N2O4	496.236207	NA	MeJP	NA	NA
+MJ073655	Asterriquinol D; 7'-(3-Methyl-2-butenyl), di-Me ether 	C31H32N2O4	496.236207	NA	MeJP	NA	NA
+MJ073656	Petromurin A; 5'-Deoxy 	C31H32N2O4	496.236207	NA	MeJP	NA	NA
+MJ073657	Gentamicin A4 	C19H36N4O11	496.238058	NA	MeJP	NA	NA
+MJ073658	Ribostamycin; N3-Ac 	C19H36N4O11	496.238058	NA	MeJP	NA	NA
+C03009	N3'-Acetylgentamicin	C19H36N4O11	496.2381	NA	KEGG	NA	NA
+PJ002831	VNQH 	C20H32N8O7	496.2394	NA	PeJP	NA	NA
+PJ002832	PPHF 	C25H32N6O5	496.2434	NA	PeJP	NA	NA
+MJ073659	2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073660	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 14-Ketone, 3-benzoyl, 15-Ac 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073661	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, ?12-Isomer, 14-ketone, 3-benzoyl, 15-Ac 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073662	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073663	6,19-Dihydroxy-3-oxo-5(10),13-halimadien-15,16-olide; 6?-form, 19-[3-(4-Hydroxyphenyl)propanoyl] 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073664	Macrocarpin B; 3-Me ether 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073665	Toonacilin; 12-Deacetoxy 	C29H36O7	496.246103	NA	MeJP	NA	NA
+MJ073666	Turraflorin B 	C29H36O7	496.246103	NA	MeJP	NA	NA
+PJ002833	PLMH 	C22H36N6O5S	496.2468	NA	PeJP	NA	NA
+MJ073667	Strychnos johnsonii Alkaloid 	C30H32N4O3	496.24744	NA	MeJP	NA	NA
+MJ073668	Antibiotic S 15-1 	C18H36N6O10	496.249291	NA	MeJP	NA	NA
+PJ002834	GQHR 	C19H32N10O6	496.2507	NA	PeJP	NA	NA
+MJ073669	2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C22H40O12	496.251976	NA	MeJP	NA	NA
+PJ002835	TTLY 	C23H36N4O8	496.2533	NA	PeJP	NA	NA
+MJ073670	Cytosaminomycin C 	C23H36N4O8	496.253314	NA	MeJP	NA	NA
+MJ073671	Cytosaminomycin D 	C23H36N4O8	496.253314	NA	MeJP	NA	NA
+MJ073672	Sarcodictyin A 	C28H36N2O6	496.257336	NA	MeJP	NA	NA
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.2607	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.2607	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.2607	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.2607	Wishlist	Inhousejuil11	NA	NA
+C05951	Leukotriene D4	C25H40N2O6S	496.2607	NA	KEGG	NA	NA
+MJ073673	Leukotriene D4 	C25H40N2O6S	496.260707	NA	MeJP	NA	NA
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB03080	Leukotriene D4	C25H40N2O6S	496.26071	http://www.hmdb.ca/metabolites/HMDB03080	HMDB	NA	NA
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	HMDB	NA	NA
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	Inhouse_PFEM	NA	NA
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR152	LeukotrieneD4(LTD4)	C25H40N2O6S	496.26071	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03080	Leukotriene D4	C25H40N2O6S	496.26071	HMDB03080	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03080	Leukotriene D4	C25H40N2O6S	496.260712	NA	HMDB2010	NA	NA
+3163	entherostatin	APGPR	496.263	celiac toxic	Inhouse_peptide	NA	peptide
+PJ002836	VLEH 	C22H36N6O7	496.2646	NA	PeJP	NA	NA
+MJ073674	1,3,6,7,11,17-Hexahydroxy-15-kauranone, 17-Et ether, 3,6-di-Ac 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073675	11,15-Dihydroxy-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073676	11-Hydroxy-15-oxo-19-kauranoic acid, O-?-D-Glucopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073677	2,19-Dihydroxy-8(17),13-labdadien-16,15-olide, 19-O-?-D-Glucopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073678	2,3,19-Trihydroxy-8,15-isopimaradien-7-one, 19-O-?-D-Altropyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073679	3,16-Dihydroxy-10(20)-leucothen-5-one, 3-O-?-D-Glucopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073680	3,19-Dihydroxy-8(17),13-labdadien-16,15-olide, 19-O-?-D-Glucopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073681	3,6,16-Trihydroxy-10(20)-leucothen-5-one, 16-O-?-D-Glucopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073682	3,6,16-Trihydroxy-10(20)-leucothen-5-one, 3-O-?-D-Glucopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073683	6,13:9,12-Diepoxy-8(19)-eunicellene-2,3,4,9-tetrol, 8?,19-Dihydro, 2,3,4-tri-Ac 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073684	6,14,16-Trihydroxy-7-isopimaren-19-oic acid, (19?6)-Lactone, 16-O-?-D-mannopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073685	6,9,16-Trihydroxy-7-isopimaren-19-oic acid, 19?6-Lactone, 16-O-?-D-mannopyranoside 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073686	8,13-Epoxy-14-labdene-1,6,7,11,18-pentol, 1,6,11-Tri-Ac 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073687	9,15-Dihydroxy-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H40O9	496.267232	NA	MeJP	NA	NA
+MJ073688	Hyalic acid; 16?,17-Dihydro, ?-D-glucopyranosyl ester 	C26H40O9	496.267232	NA	MeJP	NA	NA
+PJ002837	ALFF 	C27H36N4O5	496.2686	NA	PeJP	NA	NA
+MJ073689	Chaetoglobosin J; 19-Deoxy 	C32H36N2O3	496.272593	NA	MeJP	NA	NA
+C15649	Fexaramine	C32H36N2O3	496.2726	NA	KEGG	NA	NA
+C17703	Antibiotic G-418	C20H40N4O10	496.2744	NA	KEGG	NA	NA
+MJ073690	Gentamicin B1 	C20H40N4O10	496.274443	NA	MeJP	NA	NA
+MJ073691	Gentamicin G 418 	C20H40N4O10	496.274443	NA	MeJP	NA	NA
+HMDB06117	APGPR Enterostatin	C21H36N8O6	496.275787	NA	HMDB2010	NA	NA
+HMDB06117	APGPR Enterostatin	C21H36N8O6	496.27579	http://www.hmdb.ca/metabolites/HMDB06117	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06117	APGPR Enterostatin	C21H36N8O6	496.27579	http://www.hmdb.ca/metabolites/HMDB06117	HMDB	NA	NA
+HMDB06117	APGPR Enterostatin	C21H36N8O6	496.27579	NA  ;SYN:L-N(sup 2)-(Phenylacetyl)glutamine; N(2)-(phenylacetyl)-L-glutamine; Phenylacetyl-l-glutamine; Phenylacetylglutamine; alpha-N-Phenylacetyl-L-glutamineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB06117	APGPR Enterostatin	C21H36N8O6	496.27579	http://www.hmdb.ca/metabolites/HMDB06117	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06117	APGPR Enterostatin	C21H36N8O6	496.27579	HMDB06117	PFEM_hmdb_metabocards_official	NA	NA
+PJ002838	PPQR 	C21H36N8O6	496.2758	NA	PeJP	NA	NA
+MJ073692	2,3,23-Trihydroxy-24-nor-6-oxo-1,3,5(10),7-friedelatetraen-29-oic acid; 3-Me ether 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073693	5,6-Epoxy-16-hydroxy-1-oxowitha-2,24-dienolide, Ac 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073694	Absinthin 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073695	Anabsin; 3-Deoxy 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073696	Ardisenone 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073697	Arrivacin A; 2-Deoxy, 2,3-didehydro 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073698	Artselenoide 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073699	Azadirone; 6?-Acetoxy, 1,2-dihydro 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073700	Ingenol; 3-(2,4,6-Decatrienoyl) 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073701	Macrocarpin A 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073702	Mikagoyanolide 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073703	Pregn-5-ene-3,12,14,17,20-pentol, 12-Cinnamoyl 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073704	Pregn-5-ene-3,8,12,14,20-pentol, 12-Cinnamoyl 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073705	Pregn-5-ene-3,8,12,14,20-pentol, 20-Cinnamoyl 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073706	Ripostatin B 	C30H40O6	496.282489	NA	MeJP	NA	NA
+MJ073707	Withanolide D; 18-Acetoxy, 4-deoxy, 5,6-deepoxy, 5,6-didehydro 	C30H40O6	496.282489	NA	MeJP	NA	NA
+C09286	Absinthin	C30H40O6	496.2825	NA	KEGG	NA	NA
+MJ073708	Ceridimine 	C31H36N4O2	496.283826	NA	MeJP	NA	NA
+MJ073709	Cinchophyllamine 	C31H36N4O2	496.283826	NA	MeJP	NA	NA
+MJ073710	Isocinchophyllamine 	C31H36N4O2	496.283826	NA	MeJP	NA	NA
+MJ073711	Usambarensine; 6',10-Dimethoxy, 1'S,2,3,4-tetrahydro 	C31H36N4O2	496.283826	NA	MeJP	NA	NA
+MJ073712	Usambarensine; 6'-Methoxy, 10-hydroxy, 1'S,2,3,4-tetrahydro, N2'-Me 	C31H36N4O2	496.283826	NA	MeJP	NA	NA
+MJ073713	3,26-Dihydroxycholesta-7,22-dien-6-one, 22,23-Dihydro, 26-sulfate 	C27H44O6S	496.285859	NA	MeJP	NA	NA
+MJ073714	3-Hydroxycholesta-5,24-dien-19-oic acid, 24,25-Dihydro, 3-sulfate 	C27H44O6S	496.285859	NA	MeJP	NA	NA
+MJ073715	Cholesta-9(11),24-diene-3,6,20-triol, 3-O-Sulfate 	C27H44O6S	496.285859	NA	MeJP	NA	NA
+PJ002839	GKHR 	C20H36N10O5	496.287	NA	PeJP	NA	NA
+MJ073716	6-Bromo-5,9,24-octacosatrienoic acid 	C28H49BrO2	496.291593	NA	MeJP	NA	NA
+PJ002840	GPPVK 	C23H40N6O6	496.301	NA	PeJP	NA	NA
+C08834	Polypodine B	C27H44O8	496.3036	NA	KEGG	NA	NA
+C16500	20,26-Dihydroxyecdysone	C27H44O8	496.3036	NA	KEGG	NA	NA
+C16501	Farnesal	C27H44O8	496.3036	NA	KEGG	NA	NA
+MJ073717	1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073718	2,3,11,14,20,22,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073719	2,3,14,16,20,22,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073720	2,3,14,19,20,22,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073721	2,3,14,20,22,23,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073722	2,3,14,20,22,24,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073723	2,3,14,20,22,25,26-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073724	2,3,5,11,14,20,22-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073725	2,3,5,14,20,22,24-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073726	2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073727	2,3,5,14,20,22,26-Heptahydroxycholest-7-en-6-one 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073728	Pregn-5-ene-3,16,20-triol, 3-O-?-D-Glucopyranoside 	C27H44O8	496.303618	NA	MeJP	NA	NA
+MJ073729	Spirostane-1,2,3,4,5,6-hexol 	C27H44O8	496.303618	NA	MeJP	NA	NA
+HMDB10318	Pregnanediol-3-glucuronide	C27H44O8	496.303619	NA	HMDB2010	NA	NA
+HMDB10352	3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide	C27H44O8	496.303619	NA	HMDB2010	NA	NA
+HMDB05772	Postin	C22H40N8O5	496.31216	http://www.hmdb.ca/metabolites/HMDB05772	HMDB	NA	NA
+HMDB05772	Postin	C22H40N8O5	496.31216	HMDB05772	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05772	Postin	C22H40N8O5	496.312164	NA	HMDB2010	NA	NA
+MJ073730	Postin 	C22H40N8O5	496.312166	NA	MeJP	NA	NA
+PJ002841	PPKR 	C22H40N8O5	496.3122	NA	PeJP	NA	NA
+MJ073731	16-Hydroxy-3-oxofusida-1,17(20),24-trien-21-oic acid, 16-Ac 	C31H44O5	496.318874	NA	MeJP	NA	NA
+MJ073732	7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, 7-Ketone, Et ester 	C31H44O5	496.318874	NA	MeJP	NA	NA
+MJ073733	Coronalolide; Me ester 	C31H44O5	496.318874	NA	MeJP	NA	NA
+MJ073734	Prostatin 	C25H44N4O6	496.326085	NA	MeJP	NA	NA
+CJpos0811	Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+ (13C)	C2313CH51NO7P	496.335275	C18rt(min)=11.67 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0811	Lysophosphatidylcholine LysoPC(16:0) [(M+H)]+ (13C)	C2313CH51NO7P	496.335275	C18rt(min)=11.67 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11050	25-Hydroxy-24-epi-brassinolide	C28H48O7	496.34	NA	KEGG	NA	NA
+C11051	26-Hydroxy-24-epi-brassinolide	C28H48O7	496.34	NA	KEGG	NA	NA
+MJ073735	2,3,4,6,11,19-Hexahydroxy-9,11-secoergost-22-en-9-one 	C28H48O7	496.340003	NA	MeJP	NA	NA
+MJ073736	Ergost-22-ene-3,4,6,8,15,16,26-heptol 	C28H48O7	496.340003	NA	MeJP	NA	NA
+MJ073737	Ergost-24(28)-ene-3,4,6,8,15,16,26-heptol 	C28H48O7	496.340003	NA	MeJP	NA	NA
+C04102	1-Palmitoylglycerophosphocholine	C24H51NO7P	496.3403	NA	KEGG	NA	NA
+MJ073738	3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-Ac 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073739	3,22-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 3-Ac 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073740	3,23-Dihydroxy-20(30)-lupen-29-al, 3-Ketone, Ac 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073741	3-Hydroxy-18,20-ursadien-28-oic acid; 3?-form, Ac 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073742	3-Hydroxycycloartan-26,23-olide, 24,25-Didehydro, Ac 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073743	Anguinomycin D 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073744	Echinodol; 3-Ketone 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073745	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Diheptanoyl 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073746	Mokupalide; 30-Acetoxy 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073747	Prieurone 	C32H48O4	496.35526	NA	MeJP	NA	NA
+MJ073748	17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol 	C33H52O3	496.391645	NA	MeJP	NA	NA
+MJ073749	18,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol 	C33H52O3	496.391645	NA	MeJP	NA	NA
+MJ073750	31-Hydroxy-4,15,29-tritriacontatriene-2,32-diynoic acid 	C33H52O3	496.391645	NA	MeJP	NA	NA
+MJ073751	31-Hydroxy-4,18,29-tritriacontatriene-2,32-diynoic acid 	C33H52O3	496.391645	NA	MeJP	NA	NA
+MJ073752	Cyclovirobuxeine I; N3,N3,N20-Tri-Me, O-(2-methyl-2E-butenoyl) 	C32H52N2O2	496.402878	NA	MeJP	NA	NA
+MJ073753	12-Ursen-3-ol, Butanoyl 	C34H56O2	496.428031	NA	MeJP	NA	NA
+MJ073754	18-Oleanen-3-ol, O-Butanoyl 	C34H56O2	496.428031	NA	MeJP	NA	NA
+MJ073755	24,24-Dimethylcycloartan-3-ol, 25,26-Didehydro, Ac 	C34H56O2	496.428031	NA	MeJP	NA	NA
+MJ073756	24,25-Dimethyllanosta-9(11),23-dien-3-ol, Ac 	C34H56O2	496.428031	NA	MeJP	NA	NA
+MJ073757	24-Ethylcycloart-25-en-3-ol, Ac 	C34H56O2	496.428031	NA	MeJP	NA	NA
+MJ073758	3-Methyl-34,35-dinor-6,11-bacteriohopadiene-32,33-diol 	C34H56O2	496.428031	NA	MeJP	NA	NA
+MJ073759	Tryptamine; Nb-Tricosanoyl 	C33H56N2O	496.439264	NA	MeJP	NA	NA
+MJ073760	Tetradecanoic acid; 2,3-Dihydroxyheptadecenyl ester 	C31H60O4	496.44916	NA	MeJP	NA	NA
+MJ073761	Skimmiwallichin 	C35H60O	496.464416	NA	MeJP	NA	NA
+MJ073762	Budmunchiamine C; 6'-Hydroxy 	C29H60N4O2	496.471627	NA	MeJP	NA	NA
+MJ073763	Budmunchiamine L1; 16'-Hydroxy 	C29H60N4O2	496.471627	NA	MeJP	NA	NA
+C16793	Corynomycolic acid	C32H64O3	496.4855	NA	KEGG	NA	NA
+MJ073764	1-Methoxy-2-(methoxymethyl)-12-methylnonacosane 	C33H68O2	496.521931	NA	MeJP	NA	NA
+MJ073765	6,8-Tritriacontanediol 	C33H68O2	496.521931	NA	MeJP	NA	NA
+MJ073766	8,10-Tritriacontanediol 	C33H68O2	496.521931	NA	MeJP	NA	NA
+MetaCyc03718	2'-deoxy-5-hydroxymethylcytidine-5'-triphosphate []	C10H18N3O14P3	497.000162	NA	metacyc	NA	NA
+C11039	2'-Deoxy-5-hydroxymethylcytidine-5'-triphosphate	C10H18N3O14P3	497.0002	NA	KEGG	NA	NA
+MetaCyc03719	amino-hydroxy-hydroxypropyl-dihydropteridin [2-amino-4-hydroxy-6-trihydroxypropyldihydropteridin-P3;]	C9H18N5O13P3	497.011395	NA	metacyc	NA	NA
+MJ073767	Antibiotic M 101 	C15H19N3O12S2	497.041014	NA	MeJP	NA	NA
+MJ073768	3-Hydroxy-6-(methylthio)hexyl glucosinolate; S,S-Dioxide 	C14H27NO12S3	497.069537	NA	MeJP	NA	NA
+HMDB06866	2-Methyl-1-hydroxypropyl-ThPP	C16H27N4O8P2S	497.102478	NA	HMDB2010	NA	NA
+HMDB06866	2-Methyl-1-hydroxypropyl-ThPP 	C16H27N4O8P2S	497.10248	http://www.hmdb.ca/metabolites/HMDB06866	HMDB	NA	NA
+HMDB06866	2-Methyl-1-hydroxypropyl-ThPP 	C16H27N4O8P2S	497.10248	HMDB06866	PFEM_hmdb_metabocards_official	NA	NA
+C15976	2-Methyl-1-hydroxypropyl-ThPP	C16H27N4O8P2S	497.1025	NA	KEGG	NA	NA
+C15977	[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]	C12H22NO2S2R	497.1025	NA	KEGG	NA	NA
+PJ002842	GSCCE 	C16H27N5O9S2	497.125	NA	PeJP	NA	NA
+MJ073769	Indochrome A 	C20H23N3O12	497.128173	NA	MeJP	NA	NA
+PJ002843	SCCW 	C20H27N5O6S2	497.1403	NA	PeJP	NA	NA
+PJ002844	SSSCD 	C16H27N5O11S	497.1428	NA	PeJP	NA	NA
+PJ002845	CNMM 	C17H31N5O6S3	497.1437	NA	PeJP	NA	NA
+PJ002846	CNDF 	C20H27N5O8S	497.1581	NA	PeJP	NA	NA
+PJ002847	GSTCM 	C17H31N5O8S2	497.1614	NA	PeJP	NA	NA
+MJ073770	3-[[1-(4,5-Dihydro-2-thiazolyl)-3-azetidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; (2,2-Dimethyl-1-oxopropoxy)methyl ester 	C22H31N3O6S2	497.165427	NA	MeJP	NA	NA
+MJ073771	Akrobomycin; 13-Hydroxy 	C26H27NO9	497.168581	NA	MeJP	NA	NA
+MJ073772	Carminomycin I; 11-Deoxy 	C26H27NO9	497.168581	NA	MeJP	NA	NA
+MJ073773	Idarubicin 	C26H27NO9	497.168581	NA	MeJP	NA	NA
+MJ073774	Stephavanine 	C26H27NO9	497.168581	NA	MeJP	NA	NA
+PJ002848	SNDY 	C20H27N5O10	497.1758	NA	PeJP	NA	NA
+PJ002849	SSSSM 	C17H31N5O10S	497.1792	NA	PeJP	NA	NA
+PJ002850	GQMY 	C21H31N5O7S	497.1944	NA	PeJP	NA	NA
+PJ002851	NNNH 	C18H27N9O8	497.1983	NA	PeJP	NA	NA
+MJ073775	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-trimethoxycinnamoyl), 6-O-benzoyl 	C27H31NO8	497.204966	NA	MeJP	NA	NA
+MJ073776	Daunomycin; 11-Deoxy, 13-deoxo 	C27H31NO8	497.204966	NA	MeJP	NA	NA
+PJ002852	GCRY 	C20H31N7O6S	497.2057	NA	PeJP	NA	NA
+C12112	Validamycin A	C20H35NO13	497.2108	NA	KEGG	NA	NA
+MJ073777	Validamycin D 	C20H35NO13	497.21084	NA	MeJP	NA	NA
+MJ073778	Validoxylamine B; 6-Deoxy, 4-O-?-D-glucopyranoside 	C20H35NO13	497.21084	NA	MeJP	NA	NA
+MJ073779	Viridotriose B 	C20H35NO13	497.21084	NA	MeJP	NA	NA
+MetaCyc03720	validamycin A []	C20H35N1O13	497.21084	NA	metacyc	NA	NA
+MetaCyc03721	validamycin []	C20H35N1O13	497.21084	NA	metacyc	NA	NA
+PJ002853	STQY 	C21H31N5O9	497.2122	NA	PeJP	NA	NA
+MJ073780	Lahadinine B 	C26H31N3O7	497.2162	NA	MeJP	NA	NA
+MJ073781	2-(?-Hydroxybenzyl)-3,6-tropanediol; O6-Benzoyl, O3-cinnamoyl 	C31H31NO5	497.220223	NA	MeJP	NA	NA
+MJ073782	Dexamethasone; 21-(4-Pyridinecarboxylate) 	C28H32FNO6	497.221365	NA	MeJP	NA	NA
+PJ002854	VNEH 	C20H31N7O8	497.2234	NA	PeJP	NA	NA
+PJ002855	GGGGGPP 	C20H31N7O8	497.2235	NA	PeJP	NA	NA
+PJ002856	GQFF 	C25H31N5O6	497.2275	NA	PeJP	NA	NA
+PJ002857	GKMY 	C22H35N5O6S	497.2308	NA	PeJP	NA	NA
+PJ002858	GEHR 	C19H31N9O7	497.2347	NA	PeJP	NA	NA
+8069	synthetic peptide	RHW	497.238	antioxidative	Inhouse_peptide	NA	peptide
+8074	synthetic peptide	RWH	497.238	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002859	GVHW 	C24H31N7O5	497.2387	NA	PeJP	NA	NA
+MJ073783	N-[4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxamide 	C29H31N5O3	497.242689	NA	MeJP	NA	NA
+PJ002860	STKY 	C22H35N5O8	497.2486	NA	PeJP	NA	NA
+PJ002861	HRW 	C23H31N9O4	497.2499	NA	PeJP	NA	NA
+EUR850	Lyso PE 18:3 [M+Na]+	C23H42NO7P	497.251838	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR850	Lyso PE 18:3 [M+Na]+	C23H42NO7P	497.251838	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR850	Lyso PE 18:3 [M+Na]+	C23H42NO7P	497.251838	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR850	Lyso PE 18:3 [M+Na]+	C23H42NO7P	497.251838	masses lipides attendues	Inhousejuil11	NA	NA
+MJ073784	N1,N10-Dicoumaroylspermidine; 3',3''-Dimethoxy 	C27H35N3O6	497.252585	NA	MeJP	NA	NA
+MJ073785	N5,N10-Diferuloylspermidine 	C27H35N3O6	497.252585	NA	MeJP	NA	NA
+MJ073786	Antibiotic K 144g 	C20H39N3O11	497.258459	NA	MeJP	NA	NA
+PJ002862	PPER 	C21H35N7O7	497.2598	NA	PeJP	NA	NA
+MJ073787	Potanisine C 	C25H39NO9	497.262481	NA	MeJP	NA	NA
+PJ002863	PPVW 	C26H35N5O5	497.2638	NA	PeJP	NA	NA
+MJ073788	Kanamycin B; 3''-N-Me 	C19H39N5O10	497.269692	NA	MeJP	NA	NA
+PJ002864	SVHR 	C20H35N9O6	497.2711	NA	PeJP	NA	NA
+EUR832	Lyso PE 16:1 [M+FA-H]-	C21H42NO7P	497.274772	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR832	Lyso PE 16:1 [M+FA-H]-	C21H42NO7P	497.274772	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR832	Lyso PE 16:1 [M+FA-H]-	C21H42NO7P	497.274772	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR832	Lyso PE 16:1 [M+FA-H]-	C21H42NO7P	497.274772	masses lipides attendues	Inhousejuil11	NA	NA
+MJ073789	Aconosine; O14-Benzoyl, 13-hydroxy 	C29H39NO6	497.277737	NA	MeJP	NA	NA
+MJ073790	Aconosine; O14-Benzoyl, 9-hydroxy 	C29H39NO6	497.277737	NA	MeJP	NA	NA
+MJ073791	Lassiocarpine 	C29H39NO6	497.277737	NA	MeJP	NA	NA
+JH238	Taurocholic acid [M+H-H20]+	NA	497.2796	25.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH238	Taurocholic acid [M+H-H20]+	NA	497.2796	25.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH238	Taurocholic acid [M+H-H20]+	NA	497.2796	25.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH238	Taurocholic acid [M+H-H20]+	NA	497.2796	25.3	Inhousejuil11	NA	NA
+MJ073792	3-Hydroxy-7-oxocholan-24-oic acid, Taurine amide 	C26H43NO6S	497.281108	NA	MeJP	NA	NA
+PJ002865	APPTL 	C23H39N5O7	497.285	NA	PeJP	NA	NA
+MJ073793	Antibiotic WA 3854; Antibiotic WA 3854A 	C28H39N3O5	497.288971	NA	MeJP	NA	NA
+PJ002866	TLKH 	C22H39N7O6	497.2962	NA	PeJP	NA	NA
+PJ002867	GPVLL 	C24H43N5O6	497.3214	NA	PeJP	NA	NA
+PJ002868	PLLR 	C23H43N7O5	497.3326	NA	PeJP	NA	NA
+MJ073794	Leptinidine; Di-O-Ac 	C31H47NO4	497.350508	NA	MeJP	NA	NA
+MJ073795	Veralkamine; O,O-Di-Ac 	C31H47NO4	497.350508	NA	MeJP	NA	NA
+MJ073796	Antibiotic Sch 40873 	C24H51N9O2	497.416571	NA	MeJP	NA	NA
+MJ073797	2',3,4',5-Tetrabromo-2-hydroxydiphenyl ether 	C12H6Br4O2	497.71013	NA	MeJP	NA	NA
+MJ073798	2',3,4,4'-Tetrabromo-2-hydroxydiphenyl ether 	C12H6Br4O2	497.71013	NA	MeJP	NA	NA
+MJ073799	2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 3-Debromo 	C12H6Br4O2	497.71013	NA	MeJP	NA	NA
+MJ073800	2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 4-Debromo 	C12H6Br4O2	497.71013	NA	MeJP	NA	NA
+MJ073801	2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 5-Debromo 	C12H6Br4O2	497.71013	NA	MeJP	NA	NA
+MJ073802	2,2',4,4'-Tetrabromo-6-hydroxydiphenyl ether 	C12H6Br4O2	497.71013	NA	MeJP	NA	NA
+8263	f(42-49) of bovine kappa casein	YYQQKPVA	497.7465	MH2+	Inhouse_peptide	NA	peptide
+MJ073803	1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane 	C8BrF17	497.891192	NA	MeJP	NA	NA
+MJ073804	Eckol; 4'-Iodo 	C18H11IO9	497.944775	NA	MeJP	NA	NA
+MJ073805	Topsentin C 	C21H16Br2N4O	497.969086	NA	MeJP	NA	NA
+MJ073806	Phenaphthazine 	C16H10N4O11S2	497.978748	NA	MeJP	NA	NA
+MJ073807	2,5-Diaminopyrimidine nucleoside triphosphate 	C9H17N4O14P3	497.99541	NA	MeJP	NA	NA
+FL5FAAGSS002	Kaempferol 3-sulfate-7-alpha-arabinopyranoside;7-(alpha-L-Arabinopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 3-(hydrogen sulfate)	C20H18O13S	498.04681	396707-55-4	knapsack	NA	NA
+MJ073808	3,3'-Diethyl-2,2',5,5',7,7',8,8'-octahydroxy-6,6'-bi-1,4-naphthoquinone 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073809	6,6'-Diethyl-1,1',4,4',5,5',8,8'-octahydroxy-[2,2'-binaphthalene]-3,3',7,7'-tetrone 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073810	Fucodiphlorethol B 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073811	Fucodiphlorethol C 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073812	Fucodiphlorethol D 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073813	Islandoquinone 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073814	Tetrafucol A 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073815	Tetraphlorethol A 	C24H18O12	498.079826	NA	MeJP	NA	NA
+MJ073816	3,4,5-Trihydroxybenzoic acid; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside], Me ester 	C21H22O14	498.100955	NA	MeJP	NA	NA
+MJ073817	3,6-Digalloylglucose; D-Pyranose-form, Me glycoside 	C21H22O14	498.100955	NA	MeJP	NA	NA
+MJ073818	4,6-Digalloylglucose; ?-D-Pyranose-form, Me glycoside 	C21H22O14	498.100955	NA	MeJP	NA	NA
+MJ073819	6-Galloylglucose; ?-D-Pyranose-form, Me glycoside, O-(3,4-dihydroxybenzoyl) 	C21H22O14	498.100955	NA	MeJP	NA	NA
+PJ002869	GCCCN 	C15H26N6O7S3	498.1025	NA	PeJP	NA	NA
+C03646	Bis-gamma-glutamylcystine	C16H26N4O10S2	498.109	NA	KEGG	NA	NA
+MJ073820	N-?-Glutamylcysteine; L-L-form, Disulfide 	C16H26N4O10S2	498.109034	NA	MeJP	NA	NA
+MJ073821	Bis-gamma-glutamylcystine 	C16H26N4O10S2	498.109034	NA	MeJP	NA	NA
+MetaCyc03722	bis-&gamma;-glutamylcystine [oxidized &gamma;-glutamylcysteine;L-cysteine, L-&gamma;-glutamyl-, (2-2')-disulfide;&gamma;-Glu-cys disulfide;]	C16H26N4O10S2	498.109034	NA	metacyc	NA	NA
+MJ073822	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 5-Me ether, 7-O-?-D-apiofuranoside 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073823	3,3',4,4'-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene ether, 3-O-?-D-glucopyranoside 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073824	3-Hydroxyumbilicaric acid 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073825	Cadensin A; 10-Hydroxy, 5'-methoxy, 4'-O-de-Me, 3'-Me ether 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073826	Hiascic acid; 2'-Me ether 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073827	Hiascic acid; 2-Me ether 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073828	Hiascic acid; 5-Me ether 	C25H22O11	498.116211	NA	MeJP	NA	NA
+MJ073829	Binifibrate 	C25H23ClN2O7	498.119378	NA	MeJP	NA	NA
+PJ002870	CDMM 	C17H30N4O7S3	498.1277	NA	PeJP	NA	NA
+MJ073830	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C22H26O13	498.13734	NA	MeJP	NA	NA
+MJ073831	1,2,3,5-Benzenetetrol; 1,3,5-Tri-Me ether, 2-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C22H26O13	498.13734	NA	MeJP	NA	NA
+MJ073832	Arbutin; 2-O-[(2-Furancarbonyl)-(?5)-?-D-apiofuranosyl] 	C22H26O13	498.13734	NA	MeJP	NA	NA
+MJ073833	Catalpol; 6-(3,4-Dihydroxybenzoyl) 	C22H26O13	498.13734	NA	MeJP	NA	NA
+PJ002871	CDDF 	C20H26N4O9S	498.1421	NA	PeJP	NA	NA
+MJ073834	Nitrotyrasanguinarine 	C28H22N2O7	498.142701	NA	MeJP	NA	NA
+PJ002872	CCHH 	C18H26N8O5S2	498.1468	NA	PeJP	NA	NA
+FL5FAAGP0001	Ikarisoside E	C26H26O10	498.15259	113558-13-7	knapsack	NA	NA
+FL63ACNS0025	Phylloflavan	C26H26O10	498.15259	98570-83-3	knapsack	NA	NA
+MJ073835	3,3',4',5,7-Pentahydroxyflavan, 3-O-[5-(3,4-Dihydroxyphenyl)-2R-hydroxypentanoyl] 	C26H26O10	498.152597	NA	MeJP	NA	NA
+MJ073836	Citrusinol; 3-O-?-L-Rhamnopyranoside 	C26H26O10	498.152597	NA	MeJP	NA	NA
+MJ073837	Dukunolide A; 8?,9?-Epoxide 	C26H26O10	498.152597	NA	MeJP	NA	NA
+MJ073838	Hypomycetin 	C26H26O10	498.152597	NA	MeJP	NA	NA
+MJ073839	Clobenoside 	C25H32Cl2O6	498.157594	NA	MeJP	NA	NA
+PJ002873	SDDY 	C20H26N4O11	498.1598	NA	PeJP	NA	NA
+MJ073840	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,16-Di-Ac 	C24H35BrO6	498.161701	NA	MeJP	NA	NA
+MJ073841	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,19-Di-Ac 	C24H35BrO6	498.161701	NA	MeJP	NA	NA
+MJ073842	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,7-Di-Ac 	C24H35BrO6	498.161701	NA	MeJP	NA	NA
+MJ073843	Isoparguerol; 16-Ac 	C24H35BrO6	498.161701	NA	MeJP	NA	NA
+MJ073844	Nauclecosidine 	C25H26N2O9	498.16383	NA	MeJP	NA	NA
+PJ002874	SMMM 	C18H34N4O6S3	498.1641	NA	PeJP	NA	NA
+MJ073845	6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 9-Epimer, 2,9-di-Ac 	C24H31ClO9	498.16566	NA	MeJP	NA	NA
+MJ073846	6-Chloro-2,8,9,11,12-pentahydroxy-5(16),13-briaradien-18,7-olide, 12-Ketone, 2,9-di-Ac 	C24H31ClO9	498.16566	NA	MeJP	NA	NA
+MJ073847	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 9,12-di-Ac 	C24H31ClO9	498.16566	NA	MeJP	NA	NA
+FL3FQUNP0002	Artonol D;6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthene-7,10,15(9H,12H)-trione	C30H26O7	498.16785	186824-60-2	knapsack	NA	NA
+MJ073848	Artonol C; 2',5'-Quinone 	C30H26O7	498.167853	NA	MeJP	NA	NA
+MJ073849	Palodesangrens; Palodesangren A 	C30H26O7	498.167853	NA	MeJP	NA	NA
+MJ073850	Palodesangrens; Palodesangren B 	C30H26O7	498.167853	NA	MeJP	NA	NA
+MJ073851	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 5,8,10,13-Tetra-Ac 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073852	3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 2',3',4'-tri-Ac 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073853	8-Hydroxy-p-menth-1-en-7-oic acid, [3,4,5-Trihydroxybenzoyl-(?1)-?-D-glucopyranos-6-yl] ester 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073854	Ajugol; 6-O-(4-Hydroxy-3-methoxybenzoyl) 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073855	Cypellocarpin A 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073856	Musabalbisiane A; 18-Aldehyde, 19-carboxylic acid, 23-alcohol 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073857	Nishindaside 	C23H30O12	498.173726	NA	MeJP	NA	NA
+MJ073858	Trifochalcanoloside III 	C23H30O12	498.173726	NA	MeJP	NA	NA
+PJ002875	GEMY 	C21H30N4O8S	498.1785	NA	PeJP	NA	NA
+PJ002876	NNDH 	C18H26N8O9	498.1823	NA	PeJP	NA	NA
+MJ073859	N-Acetyl-?-aspartyl-3-[(1-amino-2-phenylethyl)hydroxyphosphinyl]-2-methylpropanoylalaninamide 	C21H31N4O8P	498.18795	NA	MeJP	NA	NA
+MJ073860	5'-[4-(3,4-Dihydroxyphenyl)-2,3-bis(hydroxymethyl)butyl]-5-(3-hydroxy-2-propenyl)-[1,1'-biphenyl]-2,2',3,3'-tetrol 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073861	7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-4H-1-benzopyran-2-carboxylic acid 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073862	Atalantin; 7-Ketone 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073863	Dehydroaustinol; Ac 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073864	Guarealactone C 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073865	Heteroclitin E 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073866	Leptolepisol C 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073867	Schizantherin D; 7-De-O-benzoyl, 7-O-angeloyl 	C27H30O9	498.188982	NA	MeJP	NA	NA
+MJ073868	Schizantherin L 	C27H30O9	498.188982	NA	MeJP	NA	NA
+PJ002877	PDMH 	C20H30N6O7S	498.1897	NA	PeJP	NA	NA
+MJ073869	Staurosporine; 3,11-Dihydroxy 	C28H26N4O5	498.190319	NA	MeJP	NA	NA
+PJ002878	MYW 	C25H30N4O5S	498.1937	NA	PeJP	NA	NA
+PJ002879	STEY 	C21H30N4O10	498.1962	NA	PeJP	NA	NA
+PJ002880	AMMF 	C22H34N4O5S2	498.1971	NA	PeJP	NA	NA
+3091	gluten A4 exorphin	GYYP	498.199	celiac toxic	Inhouse_peptide	NA	peptide
+C16724	Strictosamide	C26H30N2O8	498.2002	NA	KEGG	NA	NA
+MJ073870	Vincosamide 	C26H30N2O8	498.200215	NA	MeJP	NA	NA
+MJ073871	Punaglandin 3; 17,18-Dihydro 	C25H35ClO8	498.202045	NA	MeJP	NA	NA
+MJ073872	Punaglandin 5 	C25H35ClO8	498.202045	NA	MeJP	NA	NA
+MJ073873	Socotrin-4'-ol 	C31H30O6	498.204238	NA	MeJP	NA	NA
+MJ073874	Conivaptan 	C32H26N4O2	498.205576	NA	MeJP	NA	NA
+PJ002881	VDEH 	C20H30N6O9	498.2075	NA	PeJP	NA	NA
+C11657	Iridodial glucoside tetraacetate	C24H34O11	498.2101	NA	KEGG	NA	NA
+C11658	8-Epiiridodial glucoside tetraacetate	C24H34O11	498.2101	NA	KEGG	NA	NA
+MJ073875	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Me ether, 8-(2-methylpropanoyl), 5,10-di-Ac 	C24H34O11	498.210111	NA	MeJP	NA	NA
+MJ073876	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[5,8-Dihydroxy-2,6-dimethyl-2E,6E-octadienoyl-(?6)-?-D-glucopyranoside] 	C24H34O11	498.210111	NA	MeJP	NA	NA
+MJ073877	Taxagifin III 	C24H34O11	498.210111	NA	MeJP	NA	NA
+PJ002882	GPYY 	C25H30N4O7	498.2115	NA	PeJP	NA	NA
+PJ002883	SVMY 	C22H34N4O7S	498.2148	NA	PeJP	NA	NA
+MJ073878	Pteledimericine 	C30H30N2O5	498.215472	NA	MeJP	NA	NA
+MJ073879	Mildiomycin; 8'-Deoxy 	C19H30N8O8	498.218659	NA	MeJP	NA	NA
+PJ002884	SQQH 	C19H30N8O8	498.2187	NA	PeJP	NA	NA
+MJ073880	7-O-(3-Hydroxy-8(12)-drimen-11-yl)isofraxidin, 3'-Ketone, 2'?-acetoxy 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073881	Ablukast 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073882	Binankadsurin A; Me ether, 7-O-angeloyl 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073883	Binankadsurin A; Me ether, 7-O-tigloyl 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073884	Bisvertinol 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073885	Drummondin E 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073886	Drummondin F 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073887	Garcidepsidone B; 6',7'-Dihydro, 7'-hydroxy 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073888	Gedunin; 6?-Hydroxy 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073889	Gomisin O; Angeloyl 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073890	Gomisin O; Tigloyl 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073891	Guyanin 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073892	Isogomisin O; Angeloyl 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073893	Isouliginosin B 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073894	Nimbandiol; 6-Ac 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073895	Nimbin; O-De-Ac 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073896	Obacunol; 7-Ac 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073897	Physodic acid; Di-Me ether 	C28H34O8	498.225368	NA	MeJP	NA	NA
+MJ073898	Uliginosin B 	C28H34O8	498.225368	NA	MeJP	NA	NA
+C09004	Drummondin A	C28H34O8	498.2254	NA	KEGG	NA	NA
+PJ002885	FFW 	C29H30N4O4	498.2267	NA	PeJP	NA	NA
+MJ073899	?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-D-arabino-hexose; ?-Pyranose-form, Me glycoside, 3,3'-di-Me 	C21H38O13	498.231241	NA	MeJP	NA	NA
+3079	hemorphin-7	YPWTQRF	498.234	MH2+	Inhouse_peptide	NA	peptide
+3552	a-lactorphin (50-53)	YGLF	498.236	ACE inhibitor	Inhouse_peptide	NA	peptide
+3554	a-lactokinin (a-La 50-53) ACE inhibitor	YGLF	498.236	ACE inhibitor	Inhouse_peptide	NA	peptide
+C07704	Moexipril	C27H34N2O7	498.2366	NA	KEGG	NA	NA
+C07705	Transferred to D00623	C27H34N2O7	498.2366	NA	KEGG	NA	NA
+MJ073900	Moexiprilat; 2-Et ester 	C27H34N2O7	498.236601	NA	MeJP	NA	NA
+MJ073901	N-[1-[(tert-Butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl]-N'-[3-(methylamino)phenyl]urea 	C28H30N6O3	498.237938	NA	MeJP	NA	NA
+PJ002886	TLEH 	C21H34N6O8	498.2438	NA	PeJP	NA	NA
+MJ073902	2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol, 14-Propanoyl, 6-Ac 	C25H38O10	498.246497	NA	MeJP	NA	NA
+MJ073903	2,3-Epoxy-5,6,7,9,10,14,16-grayanotoxaneheptol, 6-(7)-Propanoyl, 7(6)-Ac 	C25H38O10	498.246497	NA	MeJP	NA	NA
+PJ002887	GLFY 	C26H34N4O6	498.2479	NA	PeJP	NA	NA
+MJ073904	Kanamycin A; 3''-N-Me 	C19H38N4O11	498.253708	NA	MeJP	NA	NA
+PJ002888	SQKH 	C20H34N8O7	498.2551	NA	PeJP	NA	NA
+PJ002889	PVHF 	C25H34N6O5	498.2591	NA	PeJP	NA	NA
+MJ073905	1,16:4,18:11,16-Triepoxy-6,7,15-clerodanetriol, 6-Cinnamoyl(E-) 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073906	1,16:4,18:11,16-Triepoxy-6,7,15-clerodanetriol, 6-Cinnamoyl(Z-) 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073907	3,4,6,8-Tetrahydroxy-11,13-clerodadien-15,16-olide, 4-Et ether, 6-benzoyl 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073908	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-(3-Methyl-2-butenoyl) 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073909	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 14-Ac 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073910	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 15-Ac 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073911	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7-Ac 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073912	5,6:12,21-Diepoxy-12,17-dihydroxy-1-oxowitha-2,24-dienolide, 12-Me ether 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073913	8-Daucene-2,4,6-triol, 6-(4-Acetoxybenzoyl), 2-angeloyl 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073914	Achyroclinopyrone 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073915	Nimbocinol; 1,2-Dihydro, 1?-methoxy, 14?,15?-epoxide, 7-Ac 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073916	Nimocinolide; 23-Me ether 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073917	Nimocinolide; 23-Oxo, 21-alcohol, O6-Me 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073918	Superpicrolichenic acid 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073919	Surangin A; 1'''-Acetoxy 	C29H38O7	498.261753	NA	MeJP	NA	NA
+MJ073920	Trechonolide A; 12-Me ether 	C29H38O7	498.261753	NA	MeJP	NA	NA
+PJ002890	VLMH 	C22H38N6O5S	498.2625	NA	PeJP	NA	NA
+MJ073921	22,23-Epoxy-24-norcholest-7-ene-2,3,4-triol, 4-Sulfate 	C26H42O7S	498.265124	NA	MeJP	NA	NA
+3803	NA	VGVAPG	498.267	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ073922	Conglobatin 	C28H38N2O6	498.272986	NA	MeJP	NA	NA
+MJ073923	Simetride 	C28H38N2O6	498.272986	NA	MeJP	NA	NA
+MJ073924	Teludipine 	C28H38N2O6	498.272986	NA	MeJP	NA	NA
+MJ073925	Azadirone; O-Benzoyl, O-de-Ac 	C33H38O4	498.277009	NA	MeJP	NA	NA
+PJ002891	GPPTK 	C22H38N6O7	498.2802	NA	PeJP	NA	NA
+MJ073926	10(20)-Grayanotoxene-3,5,6,16-tetrol, 3-O-?-D-Glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073927	13,16-Dihydroxy-19-kauranoic acid, 13-O-?-D-Glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073928	15,16-Dihydroxy-9(11)-pimaren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073929	15-Pimarene-9,17,18-triol; 9?-form, 17-Carboxylic acid, 18-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073930	16,17,19-Kauranetriol, 19-Carboxylic acid, 17-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073931	16,17,19-Kauranetriol, 19-Carboxylic acid, ?-D-glucopyranosyl ester 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073932	16,17,19-Kauranetriol, 19-Carboxylic acid, 19-?-D-glucopyranosyl ester 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073933	16-Kaurene-3,11,13,15-tetrol, 3-O-?-D-Glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073934	2,3,16,17-Kauranetetrol, 2-Ketone, 17-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073935	2,3,16,17-Kauranetetrol, 3-Ketone, 17-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073936	3,8(17)-Dolabelladiene-2,7,9,16,18-pentol, 16-(3-Hydroxy-3-methylglutaroyl) 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073937	5,9-Epoxy-10(20)-grayanotoxene-3,6,16-triol, 10R,20-Dihydro, 6-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073938	5,9-Epoxy-10(20)-grayanotoxene-3,6,16-triol, 10S,20-Dihydro, 3-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073939	7,15-Isopimaradiene-2,3,6,19-tetrol, 19-O-?-D-Altropyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073940	8(14)-Pimarene-2,3,15,16-tetrol, 15-Ketone, 16-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073941	8(14)-Pimarene-2,3,15,16-tetrol, 2-Ketone, 16-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073942	8(14)-Pimarene-2,3,15,16-tetrol, 3-Ketone, 16-O-?-D-glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073943	8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl) 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073944	9-Grayanotoxene-3,5,6,16-tetrol, 3-O-?-D-Glucopyranoside 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073945	Clerodiol 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073946	Pseudomonic acid A; 4',5'-Didehydro 	C26H42O9	498.282882	NA	MeJP	NA	NA
+MJ073947	Chaetoglobosin A; 19-Deoxy, 20-deoxo 	C32H38N2O3	498.288243	NA	MeJP	NA	NA
+MJ073948	Chaetoglobosin J; 19-Deoxy, 20?-alcohol 	C32H38N2O3	498.288243	NA	MeJP	NA	NA
+PJ002892	PVQR 	C21H38N8O6	498.2915	NA	PeJP	NA	NA
+C08806	Cucurbitacin S	C30H42O6	498.2981	NA	KEGG	NA	NA
+MJ073949	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-7,11,22-trione 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073950	3,25-Epoxy-6,25-dihydroxy-14-taraxerene-1,16,21-trione 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073951	4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-(3E,5E-Decadienoyl) 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073952	Ardisiaquinone F 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073953	Azadirolic acid 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073954	Blepharodol; 7?-Hydroxy 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073955	Cucurbitacin S 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073956	Euphohelioscopin A 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073957	Ingenol; 3-(2E,4Z-Decadienoyl) 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073958	Meliac-14-ene-1,3,7-triol, 3,7-Di-Ac 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073959	Pseudolarolide E 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073960	Sodagnitin E; 3-Ketone 	C30H42O6	498.298139	NA	MeJP	NA	NA
+MJ073961	Sodwanone G 	C30H42O6	498.298139	NA	MeJP	NA	NA
+7566	ACE inhibitor	VRGPFPIIV	498.299	MH2+	Inhouse_peptide	NA	peptide
+MJ073962	Cinchophyllamine; 18,19-Dihydro 	C31H38N4O2	498.299476	NA	MeJP	NA	NA
+PJ002893	APRR 	C20H38N10O5	498.3027	NA	PeJP	NA	NA
+MJ073963	6-Bromo-26-methyl-5,9-heptacosadienoic acid 	C28H51BrO2	498.307243	NA	MeJP	NA	NA
+MJ073964	6-Bromo-5,9,24-octacosatrienoic acid, 24,25-Dihydro 	C28H51BrO2	498.307243	NA	MeJP	NA	NA
+MJ073965	Hennoxazole A; 4-Deoxy 	C29H42N2O5	498.309372	NA	MeJP	NA	NA
+PJ002894	AAPLK 	C23H42N6O6	498.3166	NA	PeJP	NA	NA
+MJ073966	16,17,18-Kauranetriol, 18-O-(4-O-Methyl-?-D-glucopyranoside) 	C27H46O8	498.319268	NA	MeJP	NA	NA
+MJ073967	16,17,19-Kauranetriol, 19-(4-O-Methyl-?-D-glucopyranoside) 	C27H46O8	498.319268	NA	MeJP	NA	NA
+MJ073968	Hemiasterlin B 	C28H42N4O4	498.320605	NA	MeJP	NA	NA
+PJ002895	PVKR 	C22H42N8O5	498.3278	NA	PeJP	NA	NA
+MJ073969	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, Me ether 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073970	23-Oxo-2,3-seco-20(22),24-dammaradien-2,11-olid-3-oic acid, Me ester 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073971	3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid, 16-Ac 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073972	3,6,16-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ketone 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073973	Anguinomycin A; 1-Alcohol 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073974	Garsubellin B 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073975	Garsubellin C; 18-Epimer, 29-C-methyl 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073976	Garsubellin E 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073977	Poricoic acid A 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073978	Poricoic acid B; 3-Me ester 	C31H46O5	498.334524	NA	MeJP	NA	NA
+MJ073979	Borreverine; 14',15'-Dihydro, 15'-hydroxy 	C32H42N4O	498.335861	NA	MeJP	NA	NA
+MJ073980	Isoborreverine; 15'-Hydroxy, 14',15'-dihydro 	C32H42N4O	498.335861	NA	MeJP	NA	NA
+MJ073981	2-Demethylvitamin K2(25) 	C35H46O2	498.34978	NA	MeJP	NA	NA
+MJ073982	Neurosporaxanthin 	C35H46O2	498.34978	NA	MeJP	NA	NA
+C08607	Neurosporaxanthin	C35H46O2	498.3498	NA	KEGG	NA	NA
+MJ073983	Dipyrandium(2+); Dichloride 	C29H52Cl2N2	498.350755	NA	MeJP	NA	NA
+MJ073984	1,11-Epoxy-3-hydroxy-24-methylenecycloartan-28-oic acid, Me ester 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073985	12-Oleanene-3,24-diol; 3?-form, 24-Carboxylic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073986	12-Ursene-3,24-diol; 3?-form, 24-Carboxylic acid, 3-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073987	12-Ursene-3,29-diol, 29-Carboxylic acid, 3-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073988	21,23-Epoxy-21,22-dihydroxycycloart-24-en-3-one, 21-Et ether 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073989	24,25-Epoxy-23-hydroxyprotost-13(17)-en-3-one, 23-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073990	24,25-Epoxytirucall-7-ene-3,23-diol, 3-Ketone, 23-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073991	3,13-Dihydroxy-28-oleananoic acid, 28?13 Lactone, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073992	3,13-Dihydroxy-28-ursanoic acid, 28?13 Lactone, 3-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073993	3,15-Dihydroxy-27-friedelanoic acid, 27?15 Lactone, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073994	3,16-Dihydroxy-27-friedelanoic acid, 27?16 Lactone, 3-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073995	3,20,28-Taraxastanetriol, 28-Carboxylic acid, 28?20 lactone, 3-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073996	3,23-Dihydroxy-20(30)-lupen-29-al, 29-Alcohol, 3-ketone, 29-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073997	3,25-Epoxy-3-hydroxy-12-oleanen-28-oic acid; Et ether 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073998	3,28-Dihydroxy-12,21-ursadien-27-oic acid, 28-Et ether 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ073999	3,4-Secocycloarta-4(28),24-diene-3,26-dioic acid, Di-Me ester 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074000	3-Hydroxy-12-oleanen-27-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074001	3-Hydroxy-12-oleanen-28-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074002	3-Hydroxy-12-ursen-28-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074003	3-Hydroxy-14-taraxeren-28-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074004	3-Hydroxy-14-taraxeren-28-oic acid; 3?-form, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074005	3-Hydroxy-18-oleanen-28-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074006	3-Hydroxy-8-multifloren-29-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074007	3-Hydroxycycloart-24-en-26-oic acid, 3-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074008	3-Hydroxycycloartan-26,23-olide, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074009	3-Hydroxylanosta-8,24-dien-30-oic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074010	4,4-Dimethylergosta-8,14,24(28)-triene-3,11,12-triol, 12-Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074011	Echinodol 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074012	Lanost-8,24-diene-3,21-diol, 21-Carboxylic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074013	Lanost-8,24-diene-3,21-diol; 3?-form, 21-Carboxylic acid, Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074014	Rhoiptelic acid; Ac 	C32H50O4	498.37091	NA	MeJP	NA	NA
+MJ074015	12-Ursene-3,11-diol, 11-Me ether, 3-Ac 	C33H54O3	498.407295	NA	MeJP	NA	NA
+MJ074016	13-Hydroxy-2(9),6-protoilludadien-8-one; O-Octadecanoyl 	C33H54O3	498.407295	NA	MeJP	NA	NA
+MJ074017	14-Serratene-3,21-diol, 3-Me ether, 21-Ac 	C33H54O3	498.407295	NA	MeJP	NA	NA
+MJ074018	20-Taraxastene-3,19-diol, 19-Me ether, 3-Ac 	C33H54O3	498.407295	NA	MeJP	NA	NA
+MJ074019	20-Taraxastene-3,22-diol, 22-Me ether, 3-Ac 	C33H54O3	498.407295	NA	MeJP	NA	NA
+MJ074020	10,11:14,15-Diepoxy-2,3,7,10,15,18,22,23-octamethyl-6,19-dimethylene-1,23-tetracosadiene 	C34H58O2	498.443681	NA	MeJP	NA	NA
+MJ074021	3-Methyl-34,35-dinor-6,11-bacteriohopadiene-32,33-diol, 11,12-Dihydro 	C34H58O2	498.443681	NA	MeJP	NA	NA
+MJ074022	3-Methyl-34,35-dinor-6,11-bacteriohopadiene-32,33-diol, 6,7-Dihydro 	C34H58O2	498.443681	NA	MeJP	NA	NA
+MJ074023	Tetradecanoic acid; 2,3-Dihydroxyheptadecyl ester 	C31H62O4	498.46481	NA	MeJP	NA	NA
+MJ074024	Pyrrolomycin F; Pyrrolomycin F1 	C11H5Br4NO2	498.705378	NA	MeJP	NA	NA
+MJ074025	Convolutamine E 	C15H20Br3NO3	498.899331	NA	MeJP	NA	NA
+MJ074026	Glycobiarsol 	C8H9AsBiNO6	498.944966	NA	MeJP	NA	NA
+MetaCyc03723	5-hydroxy-CTP []	C9H16N3O15P3	498.979426	NA	metacyc	NA	NA
+MJ074027	Antibiotic SF 1623 	C15H21N3O10S3	499.038905	NA	MeJP	NA	NA
+MJ074028	Bis(acetato-O)amminedichloro(cyclohexylamine)platinum; cis,trans,cis-form 	C10H22Cl2N2O4Pt	499.060437	NA	MeJP	NA	NA
+MJ074029	3,4,5-Trimethoxybenzyl glucosinolate 	C17H25NO12S2	499.081816	NA	MeJP	NA	NA
+PJ002896	GCCCD 	C15H25N5O8S3	499.0866	NA	PeJP	NA	NA
+MJ074030	Baker's antifol II 	C21H24Cl2FN5O2S	499.101179	NA	MeJP	NA	NA
+MJ074031	Fosquidone 	C28H22NO6P	499.118473	NA	MeJP	NA	NA
+PJ002897	GSCCM 	C16H29N5O7S3	499.1229	NA	PeJP	NA	NA
+MJ074032	Ericamycin 	C28H21NO8	499.126716	NA	MeJP	NA	NA
+MJ074033	Lamellarin H; 9,12,21-Tri-Me ether 	C28H21NO8	499.126716	NA	MeJP	NA	NA
+MJ074034	Lamellarin H; 9,13,21-Tri-Me ether 	C28H21NO8	499.126716	NA	MeJP	NA	NA
+PJ002898	SSTCC 	C16H29N5O9S2	499.1407	NA	PeJP	NA	NA
+MJ074035	1-(2-Fluorophenyl)-2,3-dihydro-3-[(3-isoquinolinylcarbonyl)amino]-6-methoxy-2-oxo-1H-indole-3-propanoic acid 	C28H22FN3O5	499.154349	NA	MeJP	NA	NA
+PJ002899	CCQF 	C20H29N5O6S2	499.1559	NA	PeJP	NA	NA
+PJ002900	GACCF 	C20H29N5O6S2	499.156	NA	PeJP	NA	NA
+MJ074036	Acrimarine A; O5-De-Me, 6-demethoxy 	C29H25NO7	499.163102	NA	MeJP	NA	NA
+MJ074037	Halofantrine 	C26H30Cl2F3NO	499.165654	NA	MeJP	NA	NA
+C07634	Halofantrine	C26H30Cl2F3NO	499.1657	NA	KEGG	NA	NA
+PJ002901	NDDH 	C18H25N7O10	499.1663	NA	PeJP	NA	NA
+MetaCyc03724	5-O-(indol-3-ylacetyl-myo-inositol) D-galactoside []	C22H29N1O12	499.168975	NA	metacyc	NA	NA
+C04695	5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside	C22H29NO12	499.169	NA	KEGG	NA	NA
+C04696	7-Methylguanosine 5'-triphospho-5'-polynucleotide	C21H34N5O23P4R2	499.169	NA	KEGG	NA	NA
+MJ074038	Suplatast(1+), 4-Methylbenzenesulfonate 	C23H33NO7S2	499.169843	NA	MeJP	NA	NA
+PJ002902	SCQY 	C20H29N5O8S	499.1737	NA	PeJP	NA	NA
+C12428	13-Deoxycarminomycin	C26H29NO9	499.1842	NA	KEGG	NA	NA
+MJ074039	Antibiotic R 20Y7 	C26H29NO9	499.184231	NA	MeJP	NA	NA
+MJ074040	Carminomycin I; 11-Deoxy, 13-alcohol 	C26H29NO9	499.184231	NA	MeJP	NA	NA
+MJ074041	Feudomycin A; O-De-Me 	C26H29NO9	499.184231	NA	MeJP	NA	NA
+MJ074042	Feudomycin C 	C26H29NO9	499.184231	NA	MeJP	NA	NA
+MJ074043	Oxaunomycin; 6-Deoxy 	C26H29NO9	499.184231	NA	MeJP	NA	NA
+PJ002903	GSPCH 	C19H29N7O7S	499.1849	NA	PeJP	NA	NA
+MJ074044	Adiposin 1 	C19H33NO14	499.190104	NA	MeJP	NA	NA
+MJ074045	NS Antibiotic complex; NS1 	C19H33NO14	499.190104	NA	MeJP	NA	NA
+PJ002904	GSSSY 	C20H29N5O10	499.1915	NA	PeJP	NA	NA
+PJ002905	CCKF 	C21H33N5O5S2	499.1923	NA	PeJP	NA	NA
+MJ074046	2-Amino-2-deoxy-?-D-mannopyranuronosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-4-amino-4-deoxy-D-fucose 	C18H33N3O13	499.201338	NA	MeJP	NA	NA
+PJ002906	SQEH 	C19H29N7O9	499.2027	NA	PeJP	NA	NA
+MJ074047	Historphin 	C24H29N5O7	499.206698	NA	MeJP	NA	NA
+PJ002907	GNFY 	C24H29N5O7	499.2067	NA	PeJP	NA	NA
+PJ002908	SCKY 	C21H33N5O7S	499.2101	NA	PeJP	NA	NA
+C07031	N-Acetyl-O-demethylpuromycin	C23H29N7O6	499.2179	NA	KEGG	NA	NA
+MJ074048	4-[2-[[6-Amino-9-(N-ethyl-?-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]benzenepropanoic acid 	C23H29N7O6	499.217931	NA	MeJP	NA	NA
+MJ074049	N-Acetyl-O-demethylpuromycin 	C23H29N7O6	499.217931	NA	MeJP	NA	NA
+PJ002909	GTHW 	C23H29N7O6	499.218	NA	PeJP	NA	NA
+PJ002910	VNMH 	C20H33N7O6S	499.2213	NA	PeJP	NA	NA
+6986	coeliac toxic peptide	QQQP	499.226	antioxidative	Inhouse_peptide	NA	peptide
+PJ002911	GPPTE 	C21H33N5O9	499.2279	NA	PeJP	NA	NA
+MJ074050	2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Asparagine, 16-L-isoleucine diamide 	C26H33N3O7	499.23185	NA	MeJP	NA	NA
+PJ002912	GMHR 	C19H33N9O5S	499.2326	NA	PeJP	NA	NA
+PJ002913	SKEH 	C20H33N7O8	499.2391	NA	PeJP	NA	NA
+PJ002914	PPTW 	C25H33N5O6	499.2431	NA	PeJP	NA	NA
+PJ002915	GPPVM 	C22H37N5O6S	499.2465	NA	PeJP	NA	NA
+PJ002916	STHR 	C19H33N9O7	499.2503	NA	PeJP	NA	NA
+MJ074051	Nodusmicin; 18-Deoxy, 9-(1H-pyrrole-2-carboxylate) 	C28H37NO7	499.257002	NA	MeJP	NA	NA
+PJ002917	PPMR 	C21H37N7O5S	499.2577	NA	PeJP	NA	NA
+PJ002918	AAPLE 	C22H37N5O8	499.2642	NA	PeJP	NA	NA
+EUR845	Lyso PE 18:2 [M+Na]+	C23H44NO7P	499.267488	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR845	Lyso PE 18:2 [M+Na]+	C23H44NO7P	499.267488	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR845	Lyso PE 18:2 [M+Na]+	C23H44NO7P	499.267488	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR845	Lyso PE 18:2 [M+Na]+	C23H44NO7P	499.267488	masses lipides attendues	Inhousejuil11	NA	NA
+EUR884	Lyso PE 20:5 monoisotopic mass 	C25H42NO7P	499.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR884	Lyso PE 20:5 monoisotopic mass 	C25H42NO7P	499.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR884	Lyso PE 20:5 monoisotopic mass 	C25H42NO7P	499.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR884	Lyso PE 20:5 monoisotopic mass 	C25H42NO7P	499.269892	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11489	LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	C25H42NO7P	499.269897	NA	HMDB2010	NA	NA
+HMDB11519	LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C25H42NO7P	499.269897	NA	HMDB2010	NA	NA
+MJ074052	Carebastine 	C32H37NO4	499.272258	NA	MeJP	NA	NA
+PJ002919	PVER 	C21H37N7O7	499.2755	NA	PeJP	NA	NA
+MJ074053	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et 	C25H41NO9	499.278131	NA	MeJP	NA	NA
+PJ002920	PVVW 	C26H37N5O5	499.2795	NA	PeJP	NA	NA
+EUR827	Lyso PE 16:0 [M+FA-H]-	C21H44NO7P	499.290422	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR827	Lyso PE 16:0 [M+FA-H]-	C21H44NO7P	499.290422	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR827	Lyso PE 16:0 [M+FA-H]-	C21H44NO7P	499.290422	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR827	Lyso PE 16:0 [M+FA-H]-	C21H44NO7P	499.290422	masses lipides attendues	Inhousejuil11	NA	NA
+EUR823	Lyso PE 15:0 [M-H+acetate]-	C20H42NO7P	499.290992	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR823	Lyso PE 15:0 [M-H+acetate]-	C20H42NO7P	499.290992	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR823	Lyso PE 15:0 [M-H+acetate]-	C20H42NO7P	499.290992	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR823	Lyso PE 15:0 [M-H+acetate]-	C20H42NO7P	499.290992	masses lipides attendues	Inhousejuil11	NA	NA
+MJ074054	Antibiotic F 1839A; 2-Deoxy, N-(3-methoxycarbonylbutyl) 	C29H41NO6	499.293388	NA	MeJP	NA	NA
+HMDB00874	Tauroursodeoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00874	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00951	Taurochenodesoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00951	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00874	Tauroursodeoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00874	HMDB	NA	NA
+HMDB00896	Taurodeoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00896	HMDB	NA	NA
+HMDB00951	Taurochenodesoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00951	HMDB	NA	NA
+HMDB00874	Tauroursodeoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00874	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00951	Taurochenodesoxycholic acid	C26H45NO6S	499.29675	http://www.hmdb.ca/metabolites/HMDB00951	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00874	Tauroursodeoxycholic acid	C26H45NO6S	499.29675	HMDB00874	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00896	Taurodeoxycholic acid	C26H45NO6S	499.29675	HMDB00896	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00951	Taurochenodesoxycholic acid	C26H45NO6S	499.29675	HMDB00951	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00874	Tauroursodeoxycholic acid	C26H45NO6S	499.296753	NA	HMDB2010	NA	NA
+HMDB00896	Taurodeoxycholic acid	C26H45NO6S	499.296753	NA	HMDB2010	NA	NA
+HMDB00951	Taurochenodesoxycholic acid	C26H45NO6S	499.296753	NA	HMDB2010	NA	NA
+MJ074055	3,7-Dihydroxycholan-24-oic acid, N-(2-Sulfoethyl) 	C26H45NO6S	499.296758	NA	MeJP	NA	NA
+MetaCyc03725	chenodeoxycholoyltaurine []	C26H45N1O6S1	499.296759	NA	metacyc	NA	NA
+C05463	Taurodeoxycholate	C26H45NO6S	499.2968	NA	KEGG	NA	NA
+C05465	Taurochenodeoxycholate	C26H45NO6S	499.2968	NA	KEGG	NA	NA
+C16868	Tauroursodeoxycholic acid	C26H45NO6S	499.2968	NA	KEGG	NA	NA
+PJ002921	GPTLL 	C23H41N5O7	499.3006	NA	PeJP	NA	NA
+PJ002922	PQKK 	C22H41N7O6	499.3119	NA	PeJP	NA	NA
+PJ002923	AALLL 	C24H45N5O6	499.337	NA	PeJP	NA	NA
+PJ002924	VLLR 	C23H45N7O5	499.3482	NA	PeJP	NA	NA
+2608	synthetic peptide inhibitors of (PEP)	IYPFPGPIP	499.764	MH2+	Inhouse_peptide	NA	peptide
+2906	neuropeptide from eyestalk of Macrobrachium rosenb	APALRLRFG	499.7925	MH2+	Inhouse_peptide	NA	peptide
+MJ074056	Broxitalamic acid 	C12H11Br3N2O5	499.821809	NA	MeJP	NA	NA
+MJ074057	Obtusallene I; 10-Bromo 	C15H16Br3ClO2	499.838895	NA	MeJP	NA	NA
+C01272	1D-myo-Inositol 1,3,4,5-tetrakisphosphate	C6H16O18P4	499.9287	NA	KEGG	NA	NA
+C04477	1D-myo-Inositol 1,3,4,6-tetrakisphosphate	C6H16O18P4	499.9287	NA	KEGG	NA	NA
+C04520	1D-myo-Inositol 3,4,5,6-tetrakisphosphate	C6H16O18P4	499.9287	NA	KEGG	NA	NA
+C11555	1D-myo-Inositol 1,4,5,6-tetrakisphosphate	C6H16O18P4	499.9287	NA	KEGG	NA	NA
+C11556	1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate	C11H19O19P3R2	499.9287	NA	KEGG	NA	NA
+C11557	1-Phosphatidyl-1D-myo-inositol 5-phosphate	C11H18O16P2R2	499.9287	NA	KEGG	NA	NA
+MJ074058	1D-myo-Inositol 1,3,4,5-tetrakisphosphate 	C6H16O18P4	499.928709	NA	MeJP	NA	NA
+MJ074059	1D-myo-Inositol 1,3,4,6-tetrakisphosphate 	C6H16O18P4	499.928709	NA	MeJP	NA	NA
+MJ074060	1D-myo-Inositol 3,4,5,6-tetrakisphosphate 	C6H16O18P4	499.928709	NA	MeJP	NA	NA
+HMDB01059	Inositol 1,3,4,5-tetraphosphate	C6H16O18P4	499.92871	http://www.hmdb.ca/metabolites/HMDB01059	HMDB	NA	NA
+HMDB01187	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	C6H16O18P4	499.92871	http://www.hmdb.ca/metabolites/HMDB01187	HMDB	NA	NA
+HMDB03848	D-myo-Inositol 3,4,5,6-tetrakisphosphate	C6H16O18P4	499.92871	http://www.hmdb.ca/metabolites/HMDB03848	HMDB	NA	NA
+HMDB04527	1D-myo-Inositol 1,4,5,6-tetrakisphosphate	C6H16O18P4	499.92871	http://www.hmdb.ca/metabolites/HMDB04527	HMDB	NA	NA
+MetaCyc03726	D-myo-inositol (3,4,5,6)-tetrakisphosphate [Ins(3,4,5,6)P4;Inositol 3,4,5,6-tetrakisphosphate;1D-myo-inositol 3,4,5,6-tetrakisphosphate;I(3,4,5,6)P4;]	C6H16O18P4	499.92871	NA	metacyc	NA	NA
+HMDB01059	Inositol 1,3,4,5-tetraphosphate	C6H16O18P4	499.92871	HMDB01059	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01187	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	C6H16O18P4	499.92871	HMDB01187	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03848	D-myo-Inositol 3,4,5,6-tetrakisphosphate	C6H16O18P4	499.92871	HMDB03848	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04527	1D-myo-Inositol 1,4,5,6-tetrakisphosphate	C6H16O18P4	499.92871	HMDB04527	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01059	Inositol 1,3,4,5-tetraphosphate	C6H16O18P4	499.928711	NA	HMDB2010	NA	NA
+HMDB01187	1D-Myo-inositol 1,3,4,6-tetrakisphosphate	C6H16O18P4	499.928711	NA	HMDB2010	NA	NA
+HMDB03848	D-Myo-inositol 3,4,5,6-tetrakisphosphate	C6H16O18P4	499.928711	NA	HMDB2010	NA	NA
+HMDB04527	1D-Myo-inositol 1,4,5,6-tetrakisphosphate	C6H16O18P4	499.928711	NA	HMDB2010	NA	NA
+C18142	Perfluorooctanesulfonic acid	C8HF17O3S	499.9375	NA	KEGG	NA	NA
+MJ074061	4-Thiouridine; 5'-Triphosphate 	C9H15N2O14P3S	499.945683	NA	MeJP	NA	NA
+MJ074062	Dragmacidon A; N4-Me 	C22H22Br2N4	500.021122	NA	MeJP	NA	NA
+MJ074063	Teclozan 	C20H28Cl4N2O4	500.080318	NA	MeJP	NA	NA
+MJ074064	4,6-Dichloro-5-methyl-1,3-benzenediol; 1-Me ether, 3-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C19H26Cl2O11	500.085217	NA	MeJP	NA	NA
+MJ074065	Uredofos 	C19H25N4O6PS2	500.095312	NA	MeJP	NA	NA
+MJ074066	Ampelopsin A, 7-Epimer, 3',14'-dihydroxy, 7',8'-didehydro 	C28H20O9	500.110732	NA	MeJP	NA	NA
+MJ074067	Dicyperaquinone E; Bis-deoxy 	C28H20O9	500.110732	NA	MeJP	NA	NA
+MJ074068	2,4,6-Trihydroxybenzoic acid; 4-O-(Tetra-O-acetyl-?-D-glucopyranoside) 	C21H24O14	500.116605	NA	MeJP	NA	NA
+FL3FAAGS0056	Apigenin 7-(6''-crotonylglucoside)	C25H24O11	500.13186	123656-62-2	knapsack	NA	NA
+FL63BINS0001	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate	C25H24O11	500.13186	148707-36-2	knapsack	NA	NA
+FLIA1ACS0003	Puerarin 4',6''-diacetate	C25H24O11	500.13186	24562-39-8	knapsack	NA	NA
+MJ074069	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2,3-Di-O-acetyl-?-L-rhamnopyranoside) 	C25H24O11	500.131861	NA	MeJP	NA	NA
+MJ074070	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(2,4-Di-O-acetyl-?-L-rhamnopyranoside) 	C25H24O11	500.131861	NA	MeJP	NA	NA
+MJ074071	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-(3,4-Di-O-acetyl-?-L-rhamnopyranoside) 	C25H24O11	500.131861	NA	MeJP	NA	NA
+MJ074072	3,3',4',5,5',7-Hexahydroxyflavan, 3',5,5'-Tri-Me ether, 3-O-(3,4,5-trihydroxybenzoyl) 	C25H24O11	500.131861	NA	MeJP	NA	NA
+MJ074073	Cosmosiin; 6''-O-(2E-Butenoyl) 	C25H24O11	500.131861	NA	MeJP	NA	NA
+MJ074074	Puerarin; 4',6''-Di-Ac 	C25H24O11	500.131861	NA	MeJP	NA	NA
+PJ002925	CCEF 	C20H28N4O7S2	500.14	NA	PeJP	NA	NA
+MJ074075	2,8,13-Trihydroxy-1(10),4,7(11)-germacratrien-12,6-olide, 4?,5?-Epoxide, 2,13-di-Ac, 8-(3-chloro-2-hydroxy-2-methylpropanoyl) 	C23H29ClO10	500.144924	NA	MeJP	NA	NA
+MJ074076	4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olid-14-oic acid, 8-(3-Chloro-2-hydroxy-2-methylbutanoyl), 9-Ac, Me ester 	C23H29ClO10	500.144924	NA	MeJP	NA	NA
+FL4DAANC0003	Gericudranin D	C29H24O8	500.14711	172104-06-2	knapsack	NA	NA
+MJ074077	3,4',7-Trihydroxyflavan-(4?2)-3,3',4',5-tetrahydroxystilbene 	C29H24O8	500.147117	NA	MeJP	NA	NA
+MJ074078	Gericudranin D 	C29H24O8	500.147117	NA	MeJP	NA	NA
+MJ074079	Gnetulin; 3-Demethoxy, 2-hydroxy 	C29H24O8	500.147117	NA	MeJP	NA	NA
+PJ002926	DDDH 	C18H24N6O11	500.1503	NA	PeJP	NA	NA
+MJ074080	1,2,4-Naphthalenetriol; 1,4-Di-O-?-D-glucopyranoside 	C22H28O13	500.15299	NA	MeJP	NA	NA
+MJ074081	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-Cellobioside 	C22H28O13	500.15299	NA	MeJP	NA	NA
+MJ074082	4-Hydroxy-5-methyl-2H-1-benzopyran-2-one; O-Gentiobioside 	C22H28O13	500.15299	NA	MeJP	NA	NA
+MJ074083	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C22H28O13	500.15299	NA	MeJP	NA	NA
+MJ074084	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H28O13	500.15299	NA	MeJP	NA	NA
+C00927	Isonocardicin A	C23H24N4O9	500.1543	NA	KEGG	NA	NA
+C01941	Nocardicin A	C23H24N4O9	500.1543	NA	KEGG	NA	NA
+C17350	Nocardicin B	C23H24N4O9	500.1543	NA	KEGG	NA	NA
+MJ074085	Nocardicin A 	C23H24N4O9	500.154328	NA	MeJP	NA	NA
+MetaCyc03727	nocardicin A []	C23H24N4O9	500.154328	39391-39-4	metacyc	NA	NA
+MetaCyc03728	isonocardicin A []	C23H24N4O9	500.154328	NA	metacyc	NA	NA
+PJ002927	SCEY 	C20H28N4O9S	500.1577	NA	PeJP	NA	NA
+C01316	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-	C25H28N2O7S	500.1617	NA	KEGG	NA	NA
+FL5FAAGI0002	Ikarisoside A	C26H28O10	500.16824	55395-07-8	knapsack	NA	NA
+MJ074086	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-?-L-Rhamnopyranoside 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074087	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-O-?-L-Rhamnopyranoside 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074088	3,4,8,15-Tetrahydroxy-10(14),11(13)-guaiadien-12,6-olide, 8-(2-Hydroxymethyl-2-propenoyl), 15-(4-hydroxybenzoyl) 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074089	4',5,7-Trihydroxy-6-prenylisoflavone; 7-O-?-D-Glucopyranoside 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074090	Evodol; 12?-Hydroxy 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074091	Grandinal 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074092	Jasmolactone C 	C26H28O10	500.168247	NA	MeJP	NA	NA
+MJ074093	Sideroxylonal A 	C26H28O10	500.168247	NA	MeJP	NA	NA
+C11374	GW1843	C27H24N4O6	500.1696	NA	KEGG	NA	NA
+PJ002928	GMMY 	C21H32N4O6S2	500.1763	NA	PeJP	NA	NA
+MJ074094	Singapurensine A; 11,12-Methylenedioxy, Me ether 	C25H28N2O9	500.17948	NA	MeJP	NA	NA
+PJ002929	CNQH 	C18H28N8O7S	500.1802	NA	PeJP	NA	NA
+MJ074095	11(19)-Havannachlorohydrin; O13-De-Ac 	C24H33ClO9	500.18131	NA	MeJP	NA	NA
+MJ074096	2,8,9,14-Tetrahydroxy-5,11-briaradien-18,7-olide, 16-Chloro, 11?,12?-epoxide, 2,14-di-Ac 	C24H33ClO9	500.18131	NA	MeJP	NA	NA
+MJ074097	6-Chloro-2,8,9,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 13?,14?-Epoxide, 2,12-di-Ac 	C24H33ClO9	500.18131	NA	MeJP	NA	NA
+MJ074098	Celesticetin; N,O7-Di-de-Me 	C22H32N2O9S	500.182851	NA	MeJP	NA	NA
+FL3FRNNP0007	Artonol C;9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one	C30H28O7	500.1835	186824-59-9	knapsack	NA	NA
+MJ074099	Artonol C 	C30H28O7	500.183503	NA	MeJP	NA	NA
+MJ074100	Benastatin A 	C30H28O7	500.183503	NA	MeJP	NA	NA
+MJ074101	Euchretin D 	C30H28O7	500.183503	NA	MeJP	NA	NA
+MJ074102	Euchretin E 	C30H28O7	500.183503	NA	MeJP	NA	NA
+MJ074103	Leachianol F; 7-Epimer, 7-Et ether 	C30H28O7	500.183503	NA	MeJP	NA	NA
+MJ074104	Leachianol F; 7-Et ether 	C30H28O7	500.183503	NA	MeJP	NA	NA
+HMDB05036	Fluticasone	C25H31F3O5S	500.184418	NA	HMDB2010	NA	NA
+HMDB05036	Fluticasone	C25H31F3O5S	500.18442	http://www.hmdb.ca/metabolites/HMDB05036	HMDB	NA	NA
+HMDB05036	Fluticasone	C25H31F3O5S	500.18442	HMDB05036	PFEM_hmdb_metabocards_official	NA	NA
+MJ074105	Fluticasone; 17-Propanoyl 	C25H31F3O5S	500.184429	NA	MeJP	NA	NA
+PJ002930	SEEH 	C19H28N6O10	500.1867	NA	PeJP	NA	NA
+MJ074106	Gliflumide 	C25H29FN4O4S	500.189354	NA	MeJP	NA	NA
+MJ074107	3-(3-Hydroxypropyl)phthalide; O-Rutinoside 	C23H32O12	500.189376	NA	MeJP	NA	NA
+MJ074108	Arbutin; 2-O-[2E-Hexenoyl-(?5)-?-D-apiofuranosyl] 	C23H32O12	500.189376	NA	MeJP	NA	NA
+PJ002931	GDFY 	C24H28N4O8	500.1907	NA	PeJP	NA	NA
+PJ002932	STMY 	C21H32N4O8S	500.1941	NA	PeJP	NA	NA
+PJ002933	GSSNH 	C18H28N8O9	500.1979	NA	PeJP	NA	NA
+PJ002934	GGGSSH 	C18H28N8O9	500.198	NA	PeJP	NA	NA
+MJ074109	Maculalactone E; 4-Epimer, 5-ketone 	C34H28O4	500.198759	NA	MeJP	NA	NA
+MJ074110	1,6,9-Trihydroxydihydro-?-agarofuran, 6,9-Bis(3-furancarbonyl), 1-Ac 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074111	Antibiotic FR 900109 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074112	Atalantin 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074113	Austin 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074114	Haperforin B1 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074115	Isoaustin 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074116	Myrotoxin A 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074117	Oxokadsuranol; 2-(2-Methylbutanoyl) 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074118	Pedonin 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074119	Physodic acid; 4-Hydroxy, 3-Me ether 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074120	Pteronialactone; 3-Oxo 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074121	Trijugin B 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074122	Verrucarin A; 2',3'-Didehydro 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074123	Verrucarin B 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074124	Verrucarin J; 13'-Hydroxy 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074125	Verrucarin J; 16-Hydroxy 	C27H32O9	500.204632	NA	MeJP	NA	NA
+MJ074126	Verrucarin L 	C27H32O9	500.204632	NA	MeJP	NA	NA
+PJ002935	VDMH 	C20H32N6O7S	500.2053	NA	PeJP	NA	NA
+PJ002936	GGAPPC 	C20H32N6O7S	500.2054	NA	PeJP	NA	NA
+PJ002937	GMFF 	C25H32N4O5S	500.2094	NA	PeJP	NA	NA
+MJ074127	2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Aspartic acid, 16-L-isoleucine diamide 	C26H32N2O8	500.215866	NA	MeJP	NA	NA
+MJ074128	Di-4-coumaroylputrescine; 3',3'',5',5''-Tetramethoxy 	C26H32N2O8	500.215866	NA	MeJP	NA	NA
+MJ074129	Kopsidine A; 15-O-De-Me, O15-Et 	C26H32N2O8	500.215866	NA	MeJP	NA	NA
+MJ074130	Tritoqualine 	C26H32N2O8	500.215866	NA	MeJP	NA	NA
+PJ002938	CNKH 	C19H32N8O6S	500.2166	NA	PeJP	NA	NA
+MJ074131	Punaglandin 5; 17,18-Dihydro 	C25H37ClO8	500.217695	NA	MeJP	NA	NA
+CJneg0632	Dehydroepiandrosterone glucuronide [(M+Cl)]-	C25H36ClO8	500.218225	C18rt(min)=8.2 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0632	Dehydroepiandrosterone glucuronide [(M+Cl)]-	C25H36ClO8	500.218225	C18rt(min)=8.2 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ002939	PQQE 	C20H32N6O9	500.2231	NA	PeJP	NA	NA
+PJ002940	AHHH 	C21H28N10O5	500.2244	NA	PeJP	NA	NA
+7932	synthetic peptide	RYY	500.227	antioxidative	Inhouse_peptide	NA	peptide
+7935	synthetic peptide	YRY	500.227	antioxidative	Inhouse_peptide	NA	peptide
+7938	synthetic peptide	YYR	500.227	antioxidative	Inhouse_peptide	NA	peptide
+PJ002941	GVYY 	C25H32N4O7	500.2271	NA	PeJP	NA	NA
+MJ074132	Paraensidimerine B 	C30H32N2O5	500.231122	NA	MeJP	NA	NA
+MJ074133	Vinmegallate 	C30H32N2O5	500.231122	NA	MeJP	NA	NA
+MJ074134	Kanamycin C; 2-Hydroxy 	C18H36N4O12	500.232972	NA	MeJP	NA	NA
+PJ002942	PNDR 	C19H32N8O8	500.2343	NA	PeJP	NA	NA
+PJ002943	RYY 	C24H32N6O6	500.2383	NA	PeJP	NA	NA
+PJ002944	APQW 	C24H32N6O6	500.2384	NA	PeJP	NA	NA
+3125	fibronectin inhibitor	RGDSPASSKP	500.23995	MH2+	Inhouse_peptide	NA	peptide
+MJ074135	1,2,9-Trihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 1,2-di-Ac 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074136	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1,6-di-Ac 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074137	14,15-Epoxy-3,5,19-trihydroxybufa-20,22-dienolide, 3,19-Di-Ac 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074138	3,4-Dihydroxy-19-norpregna-1,3,5(10),20-tetraen-6-one; 3-O-[4-Acetyl-6-deoxy-?-L-altropyranoside] 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074139	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3,5-Di-Ac 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074140	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(4-Hydroxybenzoyl) 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074141	Binankadsurin A; 7-Hexanoyl 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074142	Binankadsurin A; Me ether, 7-O-(2-methylbutanoyl) 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074143	Binankadsurin B; 7-Angeloyl 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074144	Bisvertinol; 2'',3''-Dihydro 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074145	Bisvertinol; 2',3'-Dihydro 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074146	Citreohybridone A; O15-De-Ac 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074147	Confluentic acid 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074148	Daphnetoxin; 21-Dephenyl, 21-(1,3-heptadienyl) 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074149	Isogomisin O; 3-O-De-Me, 7-hexanoyl 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074150	Jaborosalactone P; 4?-Hydroxy, 5?,6?-epoxide 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074151	Jaborosalactone U 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074152	Jaborotetrol; 6-Ketone 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074153	Khivorin; 7-Deacetoxy, 7-oxo, 3-de-Ac 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074154	Melianthusigenin 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074155	Schizandrin; 3'-O-De-Me, 3'-angeloyl 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074156	Schizandrin; 3'-O-De-Me, 3'-tigloyl 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074157	Uliginosin A 	C28H36O8	500.241018	NA	MeJP	NA	NA
+MJ074158	Withaperuvin E 	C28H36O8	500.241018	NA	MeJP	NA	NA
+PJ002945	TLMH 	C21H36N6O6S	500.2417	NA	PeJP	NA	NA
+7486	ACE inhibitor (fr,60-68 of bovine beta-casein)	YPFPGPIPN	500.24345	MH2+	Inhouse_peptide	NA	peptide
+MJ074159	Maytansinol; Dechloro, 4,5-deepoxy, 4,5-didehydro, N-de-Me 	C27H36N2O7	500.252251	NA	MeJP	NA	NA
+PJ002946	PQKE 	C21H36N6O8	500.2595	NA	PeJP	NA	NA
+2805	PEP inhibitor	RPPPAQAPAP	500.265	MH2+	Inhouse_peptide	NA	peptide
+MJ074160	Albothricin 	C20H36N8O7	500.270695	NA	MeJP	NA	NA
+PJ002947	PTQR 	C20H36N8O7	500.2707	NA	PeJP	NA	NA
+PJ002948	APKW 	C25H36N6O5	500.2747	NA	PeJP	NA	NA
+MJ074161	1,2,9-Trihydroxydihydro-?-agarofuran, 2-(2-Methylbutanoyl), 9-benzoyl, 1-Ac 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074162	18(13?17)-Abeo-6-chloro-16,22-epoxy-4,5-dihydroxy-1-oxoergosta-2,13,24-trien-26-oic acid, 6-Dechloro, 6?-hydroxy, Me ester 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074163	8-Daucene-4,6,10-triol, 6-(3,4-Dimethoxybenzoyl), 10-angeloyl 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074164	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-Tigloyl, 13-(2-methylpropanoyl) 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074165	Citreohybridone D; 15-Deacetyl, 15-Me ether 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074166	Desonide; 21-O-(2,2-Dimethylpropanoyl) 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074167	Fevicordin F; 22-Ketone 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074168	Hyperlatolic acid; Di-Me ether 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074169	Isocitreohybridone G 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074170	Isohyperlatolic acid; Di-Me ether 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074171	Micareic acid 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074172	Petuniolide A; 12-Ketone 	C29H40O7	500.277403	NA	MeJP	NA	NA
+MJ074173	Prasinic acid 	C29H40O7	500.277403	NA	MeJP	NA	NA
+2975	ACE inhibitor	ALKAWSVAR	500.2845	MH2+	Inhouse_peptide	NA	peptide
+MJ074174	Hennoxazole A; O2-De-Me 	C28H40N2O6	500.288637	NA	MeJP	NA	NA
+MJ074175	Hennoxazole F; 5',6'-Dihydro, 5'-hydroxy 	C28H40N2O6	500.288637	NA	MeJP	NA	NA
+MJ074176	Laprafylline 	C29H36N6O2	500.289974	NA	MeJP	NA	NA
+MJ074177	Fissistigmatin A; 4''-Deoxy, 4'',15''-didehydro 	C33H40O4	500.292659	NA	MeJP	NA	NA
+MJ074178	Plukenetione A 	C33H40O4	500.292659	NA	MeJP	NA	NA
+MJ074179	Plukenetione F 	C33H40O4	500.292659	NA	MeJP	NA	NA
+MJ074180	Plukenetione G 	C33H40O4	500.292659	NA	MeJP	NA	NA
+2575	tuftsin	TKPR	500.294	immunomodulating	Inhouse_peptide	NA	peptide
+3027	kentsin	TPRK	500.294	celiac toxic	Inhouse_peptide	NA	peptide
+3624	NA	TRKP	500.294	ACE inhibitor	Inhouse_peptide	NA	peptide
+3739	NA	TKRP	500.294	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ002949	PKKE 	C22H40N6O7	500.2959	NA	PeJP	NA	NA
+C11758	Mupirocin	C26H44O9	500.2985	NA	KEGG	NA	NA
+C11759	Transferred to D01077	C26H44O9	500.2985	NA	KEGG	NA	NA
+MJ074181	12,16,17,19-Kauranetetrol, 19-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074182	15-Pimarene-7,8,11,20-tetrol, 7-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074183	3,13-Clerodadiene-6,15,16,19-tetrol, 19-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074184	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 18-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074185	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074186	3,8-Dolabelladiene-2,7,16,18-tetrol, 7-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074187	7-Pimarene-2,15,16,18-tetrol, 16-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074188	7-Pimarene-3,15,16,18-tetrol, 16-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074189	8(14)-Pimarene-2,3,15,16-tetrol, 16-O-?-D-Glucopyranoside 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074190	Pseudomonic acid A 	C26H44O9	500.298533	NA	MeJP	NA	NA
+MJ074191	Anorldianine; N27-Oxide 	C27H40N4O5	500.29987	NA	MeJP	NA	NA
+MJ074192	Disidein; 6'-Chloro 	C31H45ClO3	500.305723	NA	MeJP	NA	NA
+HMDB05770	Tuftsin	C21H40N8O6	500.307068	NA	HMDB2010	NA	NA
+HMDB05776	Kentsin	C21H40N8O6	500.307068	NA	HMDB2010	NA	NA
+HMDB05770	Tuftsin	C21H40N8O6	500.30707	http://www.hmdb.ca/metabolites/HMDB05770	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05770	Tuftsin	C21H40N8O6	500.30707	http://www.hmdb.ca/metabolites/HMDB05770	HMDB	NA	NA
+HMDB05776	Kentsin	C21H40N8O6	500.30707	http://www.hmdb.ca/metabolites/HMDB05776	HMDB	NA	NA
+HMDB05770	Tuftsin	C21H40N8O6	500.30707	NA  ;SYN:(S)-2,4-diamino-Butanoic acid; L-2,4-diamino-Butyric acid; (S)-2,4-Diaminobutyric acid; L-2,4-Diamino-n-butyric acid; L-2,4-Diaminobutanoic acid; L-2,4-Diaminobutyric acid; L-DABA; L-alpha,gamma-Diaminobutyric acid; (S)-2,4-diamino-Butanoate; L-2,4-DiaminobutanoateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB05770	Tuftsin	C21H40N8O6	500.30707	http://www.hmdb.ca/metabolites/HMDB05770	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05770	Tuftsin	C21H40N8O6	500.30707	HMDB05770	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05776	Kentsin	C21H40N8O6	500.30707	HMDB05776	PFEM_hmdb_metabocards_official	NA	NA
+MJ074193	Threonyllysylprolylarginine 	C21H40N8O6	500.307081	NA	MeJP	NA	NA
+MJ074194	Threonylprolylarginyllysine 	C21H40N8O6	500.307081	NA	MeJP	NA	NA
+PJ002950	PTKR 	C21H40N8O6	500.3071	NA	PeJP	NA	NA
+MJ074195	1,22-Dihydroxy-3,4-seco-4(23),20(29)-lupadien-3,11-olid-28-oic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074196	1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-26,23-olide 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074197	11,18:18,20:22,25-Triepoxy-24-methylfurostan-3-ol, 3-Ac 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074198	15,23-Dihydroxy-3,11-dioxolanosta-8,24-dien-26-oic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074199	16,26-Dihydroxy-3,4-secolanosta-4(28),7,9(11),24-tetraene-3,21-dioic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074200	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,22-dione 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074201	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 2,3-Diketone 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074202	2,3-Dihydroxy-12,18-oleanadiene-24,28-dioic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074203	2,3-Dihydroxy-12,20-ursadiene-24,28-dioic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074204	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 2-Ketone 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074205	20,24-Epoxy-2,3,16-trihydroxycucurbita-5,23-diene-11,22-dione 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074206	20,24-Epoxy-3,16,25-trihydroxycucurbita-5,23-diene-11,22-dione 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074207	20-Hydroxy-23-oxo-2,3-secodammar-24-ene-2,11:3,1-diolide 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074208	3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid, Me ester 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074209	3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 30-Carboxylic acid, 28?21-lactone 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074210	3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 6-Ketone, 23-aldehyde 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074211	3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 7-Deoxy, 3-ketone 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074212	3,7-Dihydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074213	3-Hydroxy-7-oxo-12-ursene-27,28-dioic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074214	7,15,24-Trihydroxy-12-oleanene-3,11,22-trione 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074215	9,11-Dihydro-22,25-oxido-11-oxoholothurinogenin 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074216	Amphidinolide E 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074217	Chiisanogenin; 24-Hydroxy 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074218	Ericifolione 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074219	Officinalic acid 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074220	Physalolactone B 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074221	Sodagnitin E 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074222	Sodwanone A 	C30H44O6	500.313789	NA	MeJP	NA	NA
+MJ074223	Zosterdiol A; 1'-De-Me, 5-Ac 	C30H44O6	500.313789	NA	MeJP	NA	NA
+C08807	11-Deoxocucurbitacin I	C30H44O6	500.3138	NA	KEGG	NA	NA
+PJ002951	GLRR 	C20H40N10O5	500.3183	NA	PeJP	NA	NA
+MJ074224	Aurantimycin D 	C24H44N4O7	500.320999	NA	MeJP	NA	NA
+MJ074225	Antibiotic M 9026; Antibiotic M 9026-2 	C29H44N2O5	500.325022	NA	MeJP	NA	NA
+PJ002952	LLQK 	C23H44N6O6	500.3323	NA	PeJP	NA	NA
+MJ074226	Cholestane-3,4,6,7,8,15,16,26-octol 	C27H48O8	500.334918	NA	MeJP	NA	NA
+MJ074227	Adouetine X 	C28H44N4O4	500.336255	NA	MeJP	NA	NA
+MJ074228	Discarine E 	C28H44N4O4	500.336255	NA	MeJP	NA	NA
+MJ074229	Franganine 	C28H44N4O4	500.336255	NA	MeJP	NA	NA
+MJ074230	Frangulanine 	C28H44N4O4	500.336255	NA	MeJP	NA	NA
+C09993	Adouetine X	C28H44N4O4	500.3363	NA	KEGG	NA	NA
+C10003	Frangulanine	C28H44N4O4	500.3363	NA	KEGG	NA	NA
+PJ002953	VVKR 	C22H44N8O5	500.3435	NA	PeJP	NA	NA
+MJ074231	12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl) 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074232	2-Oxo-2,3-seco-12-oleanene-3,30-dioic acid; 3-Me ester 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074233	22,23-Dihydroxy-3-oxo-12-ursen-30-oic acid; 22?-form, Me ester 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074234	23-Norgorgost-5-ene-1,3,11-triol, 5?,6?-Epoxide, 1-ketone, 11-Ac 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074235	3,16,25-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074236	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, Me ester 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074237	3,25-Dihydroxyholost-9(11)-en-16-one, 25-Me ether 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074238	3-Hydroxy-12-oleanene-28,29-dioic acid, 28-Me ester 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074239	3-Hydroxy-12-oleanene-28,30-dioic acid, 30-Me ester 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074240	Acerinol; 25-Me ether 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074241	Cimiacerol; 23-Me ether 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074242	Holothurinogenin; 25-Methoxy 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074243	Jessic acid 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074244	Morinin A; 5'-Hexadecanoyloxy 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074245	Roxibolone; Decyl ester 	C31H48O5	500.350174	NA	MeJP	NA	NA
+MJ074246	Spiroveitchionolide 	C31H48O5	500.350174	NA	MeJP	NA	NA
+C15688	Vicenistatin	C30H48N2O4	500.3614	NA	KEGG	NA	NA
+MJ074247	3,20-Diaminopregn-16-ene-2,4-diol, N20,N20-Di-Me, N3-tigloyl, 4-Ac 	C30H48N2O4	500.361408	NA	MeJP	NA	NA
+MJ074248	Vicenistatin aglycone; O-(2,4,6-Trideoxy-4-methylamino-?-D-ribo-hexopyranoside) 	C30H48N2O4	500.361408	NA	MeJP	NA	NA
+PJ002954	LLKK 	C24H48N6O5	500.3686	NA	PeJP	NA	NA
+MJ074249	Tetrahydro-4-hydroxy-6-(2,4,6-trihydroxyheneicosyl)-2H-pyran-2-one, 2'-Ac 	C28H52O7	500.371304	NA	MeJP	NA	NA
+MJ074250	1,3-Dihydroxy-24-methylenecycloartan-28-oic acid, Me ester 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074251	12-Oleanene-2,3,11-triol, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074252	12-Oleanene-3,11-diol, 11-Hydroperoxide, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074253	12-Ursene-1,3,11-triol, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074254	12-Ursene-2,3,11-triol, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074255	12-Ursene-3,11-diol, 11-Hydroperoxide, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074256	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 2-Heneicosyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074257	20,24-Epoxydammarane-3,25-diol, 3-Ketone, 25-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074258	20,25-Epoxydammarane-3,24-diol, 3-Ketone, 24-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074259	20-Taraxastene-3,19-diol, 19-Hydroperoxide, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074260	20-Taraxastene-3,22-diol, 20?,21?-Epoxide, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074261	3,13-Dihydroxy-12-oleananone, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074262	3,14,21-Serratanetriol, 21-Ketone, 3-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074263	3-Hydroxy-18,21-baccharanedione, Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074264	3-Hydroxy-27-friedelanal, 27-Carboxylic acid, Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074265	3-Hydroxy-28-oleananoic acid, Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074266	3-Hydroxycycloartan-21-oic acid; 3?-form, Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074267	5,19-Epoxycucurbita-6,23-diene-3,19,25-triol, 19,25-Di-Me ether 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074268	Cyclamiretin C; O30-Et (30?-) 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074269	Cyclamiretin C; O30-Et (30?-) 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074270	Dammar-24-ene-3,11,20-triol, 3-Ketone, 11-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074271	Dammar-24-ene-3,12,20-triol, 3-Ketone, 12-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074272	Dammara-12,24-diene-3,15,26-triol, 26-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074273	Lanosta-8,23-diene-3,22,25-triol, 22-Ac 	C32H52O4	500.38656	NA	MeJP	NA	NA
+MJ074274	Polyporenic acid A; Me ester 	C32H52O4	500.38656	NA	MeJP	NA	NA
+C15379	3beta-Hydroxylanostane-7,11-dione acetate	C32H52O4	500.3866	NA	KEGG	NA	NA
+MJ074275	3,20-Diaminopregn-5-en-15-ol, N3,N20,N20-Tri-Me, 18-(3,4-dimethylpent-2-enoyloxy) 	C31H52N2O3	500.397793	NA	MeJP	NA	NA
+MJ074276	3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, N3-(3-methyl-2-butenoyl), O-Ac 	C31H52N2O3	500.397793	NA	MeJP	NA	NA
+MJ074277	3-(4-Hydroxyphenyl)-2-propenoic acid, Tetracosyl ester 	C33H56O3	500.422945	NA	MeJP	NA	NA
+MJ074278	Cycloartane-3,23,25-triol, 23,25-Isopropylidene 	C33H56O3	500.422945	NA	MeJP	NA	NA
+MJ074279	Cycloartane-3,24,25-triol, 24,25-Isopropylidene 	C33H56O3	500.422945	NA	MeJP	NA	NA
+MJ074280	Lanost-9(11)-ene-3,24,25-triol, 3-Me ether, acetaldehyde 24,25-cyclic acetal 	C33H56O3	500.422945	NA	MeJP	NA	NA
+MJ074281	24,25-Dimethyllanost-9(11)-ene-3,24-diol, Di-Me ether 	C34H60O2	500.459331	NA	MeJP	NA	NA
+MJ074282	5,9,23,27-Tetracontatetraenoic acid 	C34H60O2	500.459331	NA	MeJP	NA	NA
+7874	peptide from rice endosperm protein hydrolysate	KHNRGDEF	500.7269	MH2+	Inhouse_peptide	NA	peptide
+MJ074283	Aplysinamisine I 	C16H17Br2N5O4	500.964729	NA	MeJP	NA	NA
+MJ074284	Pseudoceratinine B 	C18H26Br2N5O2(+)	501.0375	NA	MeJP	NA	NA
+PJ002955	ACCCC 	C15H27N5O6S4	501.0844	NA	PeJP	NA	NA
+PJ002956	SSCCC 	C15H27N5O8S3	501.1022	NA	PeJP	NA	NA
+FL7ARXGL0007	5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside	C24H21O12	501.1033	680227-23-0	knapsack	NA	NA
+MJ074285	Oganomycin G 	C17H23N7O7S2	501.110037	NA	MeJP	NA	NA
+C08123	Bacampicillin hydrochloride	C21H27N3O7S	501.1336	NA	KEGG	NA	NA
+PJ002957	CCNY 	C19H27N5O7S2	501.1352	NA	PeJP	NA	NA
+MJ074286	Lamellarin H; 5,6-Dihydro, 9,13,20-tri-Me ether 	C28H23NO8	501.142366	NA	MeJP	NA	NA
+MJ074287	Lamellarin H; 5,6-Dihydro, 9,13,21-tri-Me ether 	C28H23NO8	501.142366	NA	MeJP	NA	NA
+MJ074288	Oxohernandaline 	C28H23NO8	501.142366	NA	MeJP	NA	NA
+MJ074289	Cysfluoretin 	C25H27NO8S	501.145737	NA	MeJP	NA	NA
+MJ074290	2-[[[5-Ethyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1,3,4-thiadiazol-2(3H)-ylidene]amino]carbonyl]-1-cyclopentene-1-carboxylic acid 	C25H23N7O3S	501.158308	NA	MeJP	NA	NA
+MJ074291	Stylopine, 8?-?-D-Glucopyranosyloxy 	C25H27NO10	501.163496	NA	MeJP	NA	NA
+MJ074292	?1-Rhodomycinone; 10-O-(3-Amino-2,3,6-trideoxy-?-L-lyxo-hexopyranoside) 	C25H27NO10	501.163496	NA	MeJP	NA	NA
+PJ002958	CNEH 	C18H27N7O8S	501.1642	NA	PeJP	NA	NA
+PJ002959	GCHW 	C22H27N7O5S	501.1795	NA	PeJP	NA	NA
+MJ074293	Antibiotic U 71184 	C30H23N5O3	501.180089	NA	MeJP	NA	NA
+PJ002960	GSSDH 	C18H27N7O10	501.182	NA	PeJP	NA	NA
+PJ002961	GPPCE 	C20H31N5O8S	501.1894	NA	PeJP	NA	NA
+MJ074294	Nuciferine, O2,N-Di-de-Me, N-ethoxycarbonyl, O2-glucopyranoside 	C26H31NO9	501.199881	NA	MeJP	NA	NA
+PJ002962	SQMH 	C19H31N7O7S	501.2006	NA	PeJP	NA	NA
+PJ002963	PPCW 	C24H31N5O5S	501.2046	NA	PeJP	NA	NA
+PJ002964	PQEE 	C20H31N5O10	501.2071	NA	PeJP	NA	NA
+PJ002965	SCHR 	C18H31N9O6S	501.2118	NA	PeJP	NA	NA
+HMDB04270	D-Glucosaminide	C18H35N3O13	501.21698	http://www.hmdb.ca/metabolites/HMDB04270	HMDB	NA	NA
+HMDB06578	Chitotriose	C18H35N3O13	501.21698	http://www.hmdb.ca/metabolites/HMDB06578	HMDB	NA	NA
+HMDB04270	D-Glucosaminide	C18H35N3O13	501.21698	HMDB04270	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06578	Chitotriose	C18H35N3O13	501.21698	HMDB06578	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04270	D-Glucosaminide	C18H35N3O13	501.21698	NA	HMDB2010	NA	NA
+HMDB06578	Chitotriose	C18H35N3O13	501.21698	NA	HMDB2010	NA	NA
+MJ074295	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose 	C18H35N3O13	501.216988	NA	MeJP	NA	NA
+MJ074296	Antibiotic LL-BM 27? 	C18H35N3O13	501.216988	NA	MeJP	NA	NA
+MetaCyc03729	chitosan [&beta;-1,4-Poly-D-glucosamine;]	C18H35N3O13	501.216988	NA	metacyc	NA	NA
+PJ002966	GSTTH 	C19H31N7O9	501.2183	NA	PeJP	NA	NA
+PJ002967	PDDR 	C19H31N7O9	501.2184	NA	PeJP	NA	NA
+PJ002968	APEW 	C24H31N5O7	501.2224	NA	PeJP	NA	NA
+PJ002969	GPPTM 	C21H35N5O7S	501.2257	NA	PeJP	NA	NA
+PJ002970	AQHF 	C23H31N7O6	501.2336	NA	PeJP	NA	NA
+MJ074297	Bundlin A; 13-Ac 	C27H35NO8	501.236267	NA	MeJP	NA	NA
+MJ074298	Daphnezomine F 	C27H35NO8	501.236267	NA	MeJP	NA	NA
+MJ074299	Harringtonine; 5'-Deoxy, parent acid 	C27H35NO8	501.236267	NA	MeJP	NA	NA
+MJ074300	Harringtonine; Homologue (n = 1), 5'-deoxy 	C27H35NO8	501.236267	NA	MeJP	NA	NA
+PJ002971	SKMH 	C20H35N7O6S	501.237	NA	PeJP	NA	NA
+MJ074301	Neothricin 	C16H35N7O11	501.239454	NA	MeJP	NA	NA
+PJ002972	PKEE 	C21H35N5O9	501.2435	NA	PeJP	NA	NA
+MJ074302	Madumycin I 	C26H35N3O7	501.2475	NA	MeJP	NA	NA
+MJ074303	Plauracin 	C26H35N3O7	501.2475	NA	MeJP	NA	NA
+MJ074304	Pleuracin ML 	C26H35N3O7	501.2475	NA	MeJP	NA	NA
+MJ074305	Hetisine; O13-Cinnamoyl, 11-Ac 	C31H35NO5	501.251523	NA	MeJP	NA	NA
+PJ002973	PTER 	C20H35N7O8	501.2547	NA	PeJP	NA	NA
+PJ002974	GGGGAAL 	C20H35N7O8	501.2548	NA	PeJP	NA	NA
+MJ074306	Astin; Astin C, Bisdechloro 	C25H35N5O6	501.258733	NA	MeJP	NA	NA
+MJ074307	Pseudostellarin A 	C25H35N5O6	501.258733	NA	MeJP	NA	NA
+PJ002975	SPLW 	C25H35N5O6	501.2588	NA	PeJP	NA	NA
+PJ002976	AAPLM 	C22H39N5O6S	501.2621	NA	PeJP	NA	NA
+PJ002977	AQQR 	C19H35N9O7	501.266	NA	PeJP	NA	NA
+7351	celiac sprue gluten epitope found in omega-gliadin	PQPQQPIPV	501.267	MH2+	Inhouse_peptide	NA	peptide
+PJ002978	AKHF 	C24H35N7O5	501.27	NA	PeJP	NA	NA
+MJ074308	Antibiotic F 1839A; N-(3-Methoxycarbonylpropyl) 	C28H39NO7	501.272652	NA	MeJP	NA	NA
+MJ074309	Lobelanidine, O-?-D-Glucopyranoside 	C28H39NO7	501.272652	NA	MeJP	NA	NA
+MJ074310	Spirodihydrobenzofuranlactam I; 2?-Hydroxy, N-(4-carboxybutyl) 	C28H39NO7	501.272652	NA	MeJP	NA	NA
+PJ002979	PVMR 	C21H39N7O5S	501.2734	NA	PeJP	NA	NA
+PJ002980	GNRR 	C18H35N11O6	501.2772	NA	PeJP	NA	NA
+PJ002981	LLQE 	C22H39N5O8	501.2799	NA	PeJP	NA	NA
+EUR840	Lyso PE 18:1 [M+Na]+	C23H46NO7P	501.283138	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR840	Lyso PE 18:1 [M+Na]+	C23H46NO7P	501.283138	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR840	Lyso PE 18:1 [M+Na]+	C23H46NO7P	501.283138	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR840	Lyso PE 18:1 [M+Na]+	C23H46NO7P	501.283138	masses lipides attendues	Inhousejuil11	NA	NA
+MJ074311	2-Aminoethylphosphocholate 	C25H44NO7P	501.285539	NA	MeJP	NA	NA
+EUR746	Lyso PC 18:4 [M-H-CH3]-	C26H46NO7P	501.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR879	Lyso PE 20:4 monoisotopic mass 	C25H44NO7P	501.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR746	Lyso PC 18:4 [M-H-CH3]-	C26H46NO7P	501.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR879	Lyso PE 20:4 monoisotopic mass 	C25H44NO7P	501.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR746	Lyso PC 18:4 [M-H-CH3]-	C26H46NO7P	501.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR879	Lyso PE 20:4 monoisotopic mass 	C25H44NO7P	501.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR746	Lyso PC 18:4 [M-H-CH3]-	C26H46NO7P	501.285542	masses lipides attendues	Inhousejuil11	NA	NA
+EUR879	Lyso PE 20:4 monoisotopic mass 	C25H44NO7P	501.285542	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11487	LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))	C25H44NO7P	501.285553	NA	HMDB2010	NA	NA
+HMDB11488	LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))	C25H44NO7P	501.285553	NA	HMDB2010	NA	NA
+HMDB11517	LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)	C25H44NO7P	501.285553	NA	HMDB2010	NA	NA
+HMDB11518	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)	C25H44NO7P	501.285553	NA	HMDB2010	NA	NA
+HMDB05030	Fexofenadine	C32H39NO4	501.2879	http://www.hmdb.ca/metabolites/HMDB05030	HMDB	NA	NA
+C06999	Fexofenadine	C32H39NO4	501.2879	NA	KEGG	NA	NA
+C07000	Transferred to D00321	C32H39NO4	501.2879	NA	KEGG	NA	NA
+HMDB05030	Fexofenadine	C32H39NO4	501.2879	HMDB05030	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05030	Fexofenadine	C32H39NO4	501.287903	NA	HMDB2010	NA	NA
+MJ074312	Aflatrem 	C32H39NO4	501.287908	NA	MeJP	NA	NA
+MJ074313	Fexofenadine 	C32H39NO4	501.287908	NA	MeJP	NA	NA
+MJ074314	Paspalinine; 4-(3-Methyl-2-butenyl) 	C32H39NO4	501.287908	NA	MeJP	NA	NA
+MJ074315	Paspalitrem A 	C32H39NO4	501.287908	NA	MeJP	NA	NA
+PJ002982	VVER 	C21H39N7O7	501.2911	NA	PeJP	NA	NA
+MJ074316	Avasimibe 	C29H43NO4S	501.291279	NA	MeJP	NA	NA
+PJ002983	ALLW 	C26H39N5O5	501.2951	NA	PeJP	NA	NA
+PJ002984	AQKR 	C20H39N9O6	501.3024	NA	PeJP	NA	NA
+MJ074317	Delaminomycin A 	C29H43NO6	501.309038	NA	MeJP	NA	NA
+PJ002985	LLKE 	C23H43N5O7	501.3163	NA	PeJP	NA	NA
+MJ074318	Beauverolide D 	C28H43N3O5	501.320271	NA	MeJP	NA	NA
+PJ002986	TLLR 	C22H43N7O6	501.3275	NA	PeJP	NA	NA
+PJ002987	AKKR 	C21H43N9O5	501.3387	NA	PeJP	NA	NA
+MJ074319	Ambruticin VS 5; N,N-Di-Me 	C30H47NO5	501.345423	NA	MeJP	NA	NA
+MJ074320	Vicenistatin aglycone; O-(2,6-Dideoxy-3-C-methyl-?-D-ribo-hexopyranoside) 	C30H47NO5	501.345423	NA	MeJP	NA	NA
+PJ002988	VKKK 	C23H47N7O5	501.3639	NA	PeJP	NA	NA
+MJ074321	Calcium hydroxide phosphate (Ca5(OH)(PO4)3); Mineral-form 	Ca5HO13P3	501.675955	NA	MeJP	NA	NA
+C18143	Perfluorooctylsulfonyl fluoride	C8F18O2S	501.9332	NA	KEGG	NA	NA
+C18144	Metiram	C8F18O2S	501.9332	NA	KEGG	NA	NA
+MJ074322	Dakaramine 	C15H24I2N2O	501.9978	NA	MeJP	NA	NA
+MJ074323	6,6'-Ethylidenebis[2,3,5,7,8-pentahydroxy-1,4-naphthoquinone] 	C22H14O14	502.038355	NA	MeJP	NA	NA
+MJ074324	Bazzanin K 	C29H20Cl2O4	502.073864	NA	MeJP	NA	NA
+MJ074325	Garciduol A; 3''-Hydroxy 	C27H18O10	502.089996	NA	MeJP	NA	NA
+MJ074326	Cloxestradiol; O,O-Di-Ac 	C24H29Cl3O5	502.108057	NA	MeJP	NA	NA
+C16191	Malonyldaidzin	C24H22O12	502.1111	NA	KEGG	NA	NA
+FL3FAAGS0042	Apigenin 7-(2''-acetyl-6''-methylglucuronide)	C24H22O12	502.11112	137162-04-0	knapsack	NA	NA
+MJ074327	1,8-Dihydroxy-3-methylanthraquinone; 8-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074328	4',5,7-Trihydroxyflavone; 7-O-(2-O-Acetyl-6-O-methyl-?-D-glucuronopyranoside) 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074329	4',7-Dihydroxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074330	5,7-Dihydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074331	6,7-Dihydroxy-2H-1-benzopyran-2-one; 6-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxycinnamoyl] 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074332	Chicoric acid, 3,3'-Di-Me ether 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074333	Puerarin; 6''-O-Malonyl 	C24H22O12	502.111126	NA	MeJP	NA	NA
+MJ074334	Pyranocyanin B; 5'-Hydroxy 	C24H23O12(+)	502.111126	NA	MeJP	NA	NA
+MetaCyc03730	malonyldaidzin []	C24H22O12	502.111126	NA	metacyc	NA	NA
+PJ002989	CCDY 	C19H26N4O8S2	502.1192	NA	PeJP	NA	NA
+MJ074335	Haematocin 	C24H26N2O6S2	502.123227	NA	MeJP	NA	NA
+MJ074336	Ustilaginoidin F 	C28H22O9	502.126382	NA	MeJP	NA	NA
+C10989	Fluvalinate	C26H22ClF3N2O3	502.1271	NA	KEGG	NA	NA
+MJ074337	3,7-Dihydroxy-4H-1-benzopyran-4-one; Di-O-?-D-glucopyranoside 	C21H26O14	502.132255	NA	MeJP	NA	NA
+MJ074338	7,8-Dihydroxy-2H-1-benzopyran-2-one; 7,8-Di-O-?-D-glucopyranoside 	C21H26O14	502.132255	NA	MeJP	NA	NA
+MJ074339	Viburnolide C 	C21H26O14	502.132255	NA	MeJP	NA	NA
+PJ002990	CCMF 	C20H30N4O5S3	502.1379	NA	PeJP	NA	NA
+MJ074340	5-[[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one 	C22H20F6N4O3	502.143959	NA	MeJP	NA	NA
+MJ074341	Bistratamide C 	C22H26N6O4S2	502.145694	NA	MeJP	NA	NA
+MJ074342	4',5,7-Trihydroxyflavone; 7-O-?-D-Glucuronopyranoside, butyl ester 	C25H26O11	502.147511	NA	MeJP	NA	NA
+MJ074343	Gentiopicroside; 2'-(4-Hydroxycinnamoyl)(E-) 	C25H26O11	502.147511	NA	MeJP	NA	NA
+PJ002991	CDEH 	C18H26N6O9S	502.1482	NA	PeJP	NA	NA
+MJ074344	3-Deoxy-?-D-manno-2-octulopyranosonosyl-(2?2)-?-D-ribofuranosyl-(1?2)-D-ribose 	C18H30O16	502.153384	NA	MeJP	NA	NA
+MJ074345	3-Deoxy-?-D-manno-2-octulopyranosonosyl-(2?3)-[?-D-ribofuranosyl-(1?2)]-D-ribose 	C18H30O16	502.153384	NA	MeJP	NA	NA
+MJ074346	?-D-Galactopyranosyl-(1?4)-[?-D-glucopyranuronosyl-(1?3)]-L-rhamnose 	C18H30O16	502.153384	NA	MeJP	NA	NA
+MJ074347	?-L-Rhamnopyranosyl-(1?3)-[?-D-glucopyranuronosyl-(1?2)]-D-mannose 	C18H30O16	502.153384	NA	MeJP	NA	NA
+C12082	alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-	C18H30O16	502.1534	NA	KEGG	NA	NA
+PJ002992	SCMY 	C20H30N4O7S2	502.1556	NA	PeJP	NA	NA
+FL1C1LNI0004	Demethoxyisogemichalcone C;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone	C29H26O8	502.16276	376362-05-9	knapsack	NA	NA
+MJ074348	Antibiotic TAN 1532B; 5,6-Didehydro 	C29H26O8	502.162767	NA	MeJP	NA	NA
+MJ074349	Adozelesin 	C30H22N4O4	502.164105	NA	MeJP	NA	NA
+MJ074350	Phenazostatin C 	C30H22N4O4	502.164105	NA	MeJP	NA	NA
+MJ074351	Sucrose; 6-O-(4-Methoxycinnamoyl)(E-) 	C22H30O13	502.168641	NA	MeJP	NA	NA
+MJ074352	Ussurienoside I; O-De-Me 	C22H30O13	502.168641	NA	MeJP	NA	NA
+FL2FAAGI0002	Phellodensin F;Flavaprin;5,7,4'-Trihydroxy-8-C-prenylflavanone 7-glucoside	C26H30O10	502.18389	53846-49-4	knapsack	NA	NA
+MJ074353	4',5,7-Trihydroxy-8-prenylflavanone, 7-O-?-D-Glucopyranoside 	C26H30O10	502.183897	NA	MeJP	NA	NA
+MJ074354	Glaucin A 	C26H30O10	502.183897	NA	MeJP	NA	NA
+MJ074355	Limonexic acid 	C26H30O10	502.183897	NA	MeJP	NA	NA
+MJ074356	Phebalarin 	C26H30O10	502.183897	NA	MeJP	NA	NA
+PJ002993	SEMH 	C19H30N6O8S	502.1846	NA	PeJP	NA	NA
+PJ002994	ACFY 	C24H30N4O6S	502.1886	NA	PeJP	NA	NA
+MJ074357	Asterriquinone D; 6',6''-Bis(3-methyl-1,3-butadienyl)(E,E-), di-O-de-Me 	C32H26N2O4	502.189257	NA	MeJP	NA	NA
+HMDB06598	Isoglobotriaose	C19H34O15	502.189758	NA	HMDB2010	NA	NA
+HMDB06598	Isoglobotriaose	C19H34O15	502.18976	http://www.hmdb.ca/metabolites/HMDB06598	HMDB	NA	NA
+HMDB06598	Isoglobotriaose	C19H34O15	502.18976	HMDB06598	PFEM_hmdb_metabocards_official	NA	NA
+PJ002995	PEEE 	C20H30N4O11	502.1911	NA	PeJP	NA	NA
+MJ074358	Myxothiazole; Parent acid, Me ester 	C26H34N2O4S2	502.195998	NA	MeJP	NA	NA
+C15675	Myxothiazol Z	C26H34N2O4S2	502.196	NA	KEGG	NA	NA
+FL3FALNP0010	Cycloheterophyllin	C30H30O7	502.19915	36545-53-6	knapsack	NA	NA
+FL3FQUNR0001	Artonin O;5,6-Dihydro-3,8,10-trihydroxy-2,9-bis(3-methyl-2-butenyl)-5-(1-methylethenyl)-1H-benzo[c]xanthene-1,4,7-trione	C30H30O7	502.19915	151652-48-1	knapsack	NA	NA
+FL3FRNND0002	Artonin M; 5a,6-Dihydro-1,3,8-trihydroxy-5,11,11-trimethyl-5-(4-methyl-3-pentenyl)-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one	C30H30O7	502.19915	151627-66-6	knapsack	NA	NA
+FL3FRNND0005	Artonin F; 5a,6-Dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-9-(3-methyl-2-butenyl)-5H,7H,11H-benzofuro[3,4-bc]pyrano[3,2-h]xanthen-7-one	C30H30O7	502.19915	129683-94-9	knapsack	NA	NA
+FL3FRNNP0006	Artonin N;6,7-Dihydro-5,9,11,14-tetrahydroxy-3,3-dimethyl-10-(3-methyl-2-butenyl)-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one	C30H30O7	502.19915	151606-36-9	knapsack	NA	NA
+FLIG1LNP0002	Euchretin A	C30H30O7	502.19915	119459-83-5	knapsack	NA	NA
+MJ074359	5-(3-Carboxybenzoyl)-2-[[6-(4-methoxyphenyl)-5-hexenyl]oxy]benzenepropanoic acid 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074360	Arenarin B; 6-Me ether 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074361	Artonin A 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074362	Artonin B 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074363	Artonin F 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074364	Artonin M 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074365	Artonin N 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074366	Artonin O 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074367	Benastatin A; 5,6-Dihydro 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074368	Brevitaxin 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074369	Cycloheterophyllin 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074370	Euchretin A 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074371	Euchretin I 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074372	Gochnatiolide A 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074373	Gochnatiolide B 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074374	Isocycloheterophyllin 	C30H30O7	502.199153	NA	MeJP	NA	NA
+MJ074375	Paleatin A; 7-Methoxy 	C30H30O7	502.199153	NA	MeJP	NA	NA
+PJ002996	PCHF 	C23H30N6O5S	502.1999	NA	PeJP	NA	NA
+MJ074376	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)]-D-mannose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074377	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)]-D-mannose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074378	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)]-D-mannose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074379	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?4)]-2-amino-2-deoxy-D-mannose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074380	2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-galactopyranosyl-(1?3)-D-galactose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074381	2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074382	?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+MJ074383	?-D-Mannopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose 	C18H34N2O14	502.201003	NA	MeJP	NA	NA
+PJ002997	GSPNE 	C19H30N6O10	502.2024	NA	PeJP	NA	NA
+PJ002998	CLMH 	C20H34N6O5S2	502.2032	NA	PeJP	NA	NA
+PJ002999	GTYY 	C24H30N4O8	502.2064	NA	PeJP	NA	NA
+MJ074384	Phenylbutazone trimethylgallate 	C29H30N2O6	502.210386	NA	MeJP	NA	NA
+MJ074385	Jaborochlorodiol 	C28H35ClO6	502.212216	NA	MeJP	NA	NA
+3580	NA	VQGEESNDK	502.2134	MH2+	Inhouse_peptide	NA	peptide
+PJ003000	NNQQ 	C18H30N8O9	502.2136	NA	PeJP	NA	NA
+PJ003001	SPNW 	C23H30N6O7	502.2176	NA	PeJP	NA	NA
+FL5FECNI0002	Geranioloxyalatum flavone;3,5-Dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy-4H-1-benzopyran-4-one	C27H34O9	502.22028	252351-60-3	knapsack	NA	NA
+MJ074386	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 4'-O-(7?-Hydroxy-3?,7-dimethyloctyl) 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074387	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl], 3-Ac 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074388	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[4-Hydroxy-2-(tigloyloxymethyl)-2E-butenoyl], 3-Ac 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074389	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[2-(2-Hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl], 3-Ac 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074390	Aurovertin B; O-Ac 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074391	Cedrodorin 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074392	Cyclocalamin 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074393	Guanepolide 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074394	Khayalactone 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074395	Pteronialactone; 3?-Hydroxy 	C27H34O9	502.220282	NA	MeJP	NA	NA
+MJ074396	Verrucarin A 	C27H34O9	502.220282	NA	MeJP	NA	NA
+C09746	Verrucarin A	C27H34O9	502.2203	NA	KEGG	NA	NA
+PJ003002	PQQM 	C20H34N6O7S	502.221	NA	PeJP	NA	NA
+MJ074397	1-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]-4-piperidinyl]-1-propanone 	C27H35ClN2O5	502.223449	NA	MeJP	NA	NA
+MJ074398	Syndyphalin 	C25H34N4O5S	502.22499	NA	MeJP	NA	NA
+PJ003003	PCQR 	C19H34N8O6S	502.2322	NA	PeJP	NA	NA
+CJneg0633	Androsterone glucuronide [(M+Cl)]-	C25H38ClO8	502.233925	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0633	Androsterone glucuronide [(M+Cl)]-	C25H38ClO8	502.233925	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ074399	Euchrenone b12 	C31H34O6	502.235538	NA	MeJP	NA	NA
+MJ074400	Euchrenone b16; 2'-Me ether 	C31H34O6	502.235538	NA	MeJP	NA	NA
+MJ074401	Shizukaol A 	C31H34O6	502.235538	NA	MeJP	NA	NA
+MJ074402	Amcinonide 	C28H35FO7	502.236681	NA	MeJP	NA	NA
+PJ003004	VQQE 	C20H34N6O9	502.2387	NA	PeJP	NA	NA
+PJ003005	GGLQE 	C20H34N6O9	502.2388	NA	PeJP	NA	NA
+MJ074403	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O11	502.241412	NA	MeJP	NA	NA
+MJ074404	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C24H38O11	502.241412	NA	MeJP	NA	NA
+MJ074405	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O11	502.241412	NA	MeJP	NA	NA
+MJ074406	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O11	502.241412	NA	MeJP	NA	NA
+MJ074407	4,7-Megastigmadiene-3,9-diol, 3-Ketone, 9-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C24H38O11	502.241412	NA	MeJP	NA	NA
+MJ074408	20-Hydroxycylindrocarine; N-Cinnamoyl 	C30H34N2O5	502.246772	NA	MeJP	NA	NA
+MJ074409	Tetraphyllicine; O-(3,4,5-Trimethoxybenzoyl) 	C30H34N2O5	502.246772	NA	MeJP	NA	NA
+MJ074410	Lavendothricin; Lavendothricin F 	C19H34N8O8	502.24996	NA	MeJP	NA	NA
+MJ074411	Streptothricin; Streptothricin F 	C19H34N8O8	502.24996	NA	MeJP	NA	NA
+PJ003006	AQER 	C19H34N8O8	502.25	NA	PeJP	NA	NA
+3298	NA	HHPL	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3299	NA	LHPH	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3303	NA	HPLH	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3306	NA	HPHL	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3308	NA	HHLP	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3313	NA	PLHH	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3315	NA	HLHP	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3316	NA	HLPH	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+3318	NA	LPHH	502.252	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003007	GLQW 	C24H34N6O6	502.254	NA	PeJP	NA	NA
+7400	celiac sprue gluten epitope found in secalin	PQPQQPTPI	502.2565	MH2+	Inhouse_peptide	NA	peptide
+MJ074412	11-Hydroxy-4,5-secoeudesmane-4,5-dione; O-(2-O-Acetyl-?-D-fucopyranoside) 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074413	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropenoyl), 18,19-di-Ac 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074414	2,6,10,14-Phytatetraene-1,16-diol, Difumaroyl 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074415	22-Deacetylyanuthone A; 15-Ketone, 22-O-(4-carboxy-3-hydroxy-3-methylbutanoyl) 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074416	4,14,17,20-Tetrahydroxy-1-oxowitha-2,5,24-trienolide, 28-Hydroxy 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074417	5,6:14,15-Diepoxy-3,4,27-trihydroxy-1-oxowith-24-enolide 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074418	Ixocarpalactone B 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074419	Jaborosalactone P; 5?,6?-Dihydroxy, 5,6-dihydro 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074420	Jaborosalactone S 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074421	Jaborotetrol 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074422	Macrolactin A; 16,17-Dihydro, 15-ketone, 7-O-(3-carboxypropanoyl) 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074423	Macrolactin A; 7-O-(3-Carboxypropanoyl) 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074424	Withajardin A; 5?,6?-Epoxide 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074425	Withanolide E; 28-Hydroxy 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074426	Withanolide E; 4?-Hydroxy 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074427	Withaperuvin C; 28-Hydroxy 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074428	Withaperuvin F 	C28H38O8	502.256668	NA	MeJP	NA	NA
+MJ074429	Withaperuvin G 	C28H38O8	502.256668	NA	MeJP	NA	NA
+PJ003008	PQKM 	C21H38N6O6S	502.2574	NA	PeJP	NA	NA
+2974	LVV-hemorphin-5	LVVYPWTQ	502.2595	MH2+	Inhouse_peptide	NA	peptide
+PJ003009	GDRR 	C18H34N10O7	502.2612	NA	PeJP	NA	NA
+MJ074430	Fusarinine A 	C22H38N4O9	502.263878	NA	MeJP	NA	NA
+MetaCyc03731	rhizobactin 1021 [(E)-4-[[3-(acetylhydroxyamino)propyl]-amino]-2-hydroxy-2-[2-[3-[hydroxy(1-oxo-2-decenyl)amino]propyl]amino]-2-oxoethyl]-4-oxobutanoic acid;]	C22H38N4O9	502.263879	NA	metacyc	NA	NA
+PJ003010	LLEE 	C22H38N4O9	502.2639	NA	PeJP	NA	NA
+PJ003011	AARW 	C23H34N8O5	502.2652	NA	PeJP	NA	NA
+PJ003012	PCKR 	C20H38N8O5S	502.2686	NA	PeJP	NA	NA
+PJ003013	VQKE 	C21H38N6O8	502.2751	NA	PeJP	NA	NA
+MJ074431	Antibiotic NA 22598A1 	C20H38N8O7	502.286345	NA	MeJP	NA	NA
+PJ003014	AKER 	C20H38N8O7	502.2864	NA	PeJP	NA	NA
+PJ003015	GLKW 	C25H38N6O5	502.2904	NA	PeJP	NA	NA
+MJ074432	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 2-(2-methylbutanoyl), 18,19-di-Ac 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074433	3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074434	3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-(2,6-Dideoxy-xylo-hexopyranoside) 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074435	3,14-Dihydroxycarda-5,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-arabino-hexopyranoside) 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074436	9,13-Epoxy-7,14-labdadiene-2,3,20-triol, 2-Angeloyl, 3,20-di-Ac 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074437	Deacylantibiotic NF 00659 A; 3-Ac 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074438	Isogosterone C; 22-De-Ac, 22-ketone 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074439	Petuniolide F 	C29H42O7	502.293053	NA	MeJP	NA	NA
+MJ074440	Spirofungin A 	C29H42O7	502.293053	NA	MeJP	NA	NA
+PJ003016	PKKM 	C22H42N6O5S	502.2938	NA	PeJP	NA	NA
+PJ003017	ATRR 	C19H38N10O6	502.2976	NA	PeJP	NA	NA
+C09948	Kolanone	C33H42O4	502.3083	NA	KEGG	NA	NA
+MJ074441	Clusianone 	C33H42O4	502.308309	NA	MeJP	NA	NA
+MJ074442	Hilarianone 	C33H42O4	502.308309	NA	MeJP	NA	NA
+MJ074443	Nemorosone 	C33H42O4	502.308309	NA	MeJP	NA	NA
+MJ074444	Plukenetione D 	C33H42O4	502.308309	NA	MeJP	NA	NA
+MJ074445	Plukenetione G; 3,4-Dihydro 	C33H42O4	502.308309	NA	MeJP	NA	NA
+MJ074446	Weddellianone A 	C33H42O4	502.308309	NA	MeJP	NA	NA
+PJ003018	VKKE 	C22H42N6O7	502.3115	NA	PeJP	NA	NA
+MJ074447	27-Norcholestane-3,4,5,6,7,8,14,15,24-nonol 	C26H46O9	502.314183	NA	MeJP	NA	NA
+PJ003019	SLKR 	C21H42N8O6	502.3228	NA	PeJP	NA	NA
+C15622	GW 7647	C29H46N2O3S	502.3229	NA	KEGG	NA	NA
+MJ074448	2-[[4-[2-[[(Cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid 	C29H46N2O3S	502.322914	NA	MeJP	NA	NA
+MJ074449	Phenylalanylisoleucylargininal; NPhe-(3-Methylbutanoyl) 	C26H42N6O4	502.326753	NA	MeJP	NA	NA
+MJ074450	1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, 2-Ketone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074451	1,2,3,24-Tetrahydroxy-12,20(30)-ursadien-28-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074452	1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074453	11,12-Epoxy-2,3,23-trihydroxy-28,13-oleananolide 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074454	12,13-Epoxy-2,3,21,22-tetrahydroxy-30-oleananoic acid, 30?22 Lactone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074455	12,16-Dihydroxy-24-methyl-24-oxo-25-scalaranal, Di-Ac 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074456	13,28-Epoxy-2,3,16,22-tetrahydroxy-30-oleananoic acid, 30?22 Lactone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074457	15,16,21,22,28-Pentahydroxy-1,12-oleanadien-3-one 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074458	17,23-Epoxy-3,24,29-trihydroxylanost-9-en-26,23-olide 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074459	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11-dione 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074460	2,25-Epoxy-2,3,19-trihydroxy-12-ursen-28-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074461	2,3,11,23-Tetrahydroxy-12-ursen-28-oic acid, 11-Ketone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074462	2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid, 16-Ketone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074463	2,3,16,23-Tetrahydroxy-5,13(18)-oleanadien-28-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074464	2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, 24-Aldehyde 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074465	2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, 24-Aldehyde 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074466	2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid, 30-Aldehyde 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074467	2,3-Dihydroxy-12-oleanene-23,28-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074468	2,3-Dihydroxy-9(11)-fernene-23,25-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074469	2,3-Seco-12-oleanene-2,3,28-trioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074470	20,24-Epoxy-3,16,25-trihydroxycucurbit-5-ene-11,22-dione 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074471	20-Hydroxy-23-oxo-2,3-secodammar-24-en-2,11-olid-3-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074472	3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Carboxylic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074473	3,15,21,22,30-Pentahydroxy-12-oleanen-28-oic acid, 28?15 Lactone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074474	3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11-dione 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074475	3,16,23,28-Tetrahydroxy-11,13(18)-oleanadien-29-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074476	3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid, 3-Ketone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074477	3,19,23-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074478	3,19-Dihydroxy-12-ursene-23,28-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074479	3,19-Dihydroxy-12-ursene-24,28-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074480	3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074481	3,23-Dihydroxy-12-oleanene-28,30-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074482	3,23-Dihydroxy-20(29)-lupene-27,28-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074483	3,24-Dihydroxy-12-oleanene-28,29-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074484	3,24-Dihydroxy-12-oleanene-28,30-dioic acid; 3?-form 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074485	3,25-Epoxy-1,2,3-trihydroxy-12-ursen-28-oic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074486	3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-Aldehyde 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074487	3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 6-Ketone 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074488	3,6-Dihydroxy-12-oleanene-27,28-dioic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074489	3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 7-Deoxy 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074490	7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one, 22-Ac 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074491	Aleurodiscal 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074492	Anhydrochiisanogenoic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074493	Ceanothic acid; 27-Hydroxy 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074494	Granulosic acid 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074495	Ingenol; 3-Decanoyl 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074496	Petuniasterone B 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074497	Platycodogenin 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074498	Saponaceolide B 	C30H46O6	502.329439	NA	MeJP	NA	NA
+MJ074499	Cyclomicrophylline I; 6,7-Dihydro, N3,O16-di-Ac, N20-formyl 	C29H46N2O5	502.340672	NA	MeJP	NA	NA
+MJ074500	19,30-Tetratriacontadiene-2,4,6,17,33-pentayne-1,8,32-triol 	C34H46O3	502.344695	NA	MeJP	NA	NA
+MJ074501	1,3,25-Trihydroxycycloart-23-en-28-oic acid, 25-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074502	1,3,7-Trihydroxy-24-methylenecycloartan-28-oic acid 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074503	12,23-Epoxy-3,23-dihydroxy-24-methyllanost-8-en-26-oic acid 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074504	2,3,19-Trihydroxy-12-ursen-28-oic acid, Me ester 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074505	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074506	2,3,23-Trihydroxy-12-oleanen-28-oic acid, Me ester 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074507	3,11,30-Trihydroxy-12-ursen-28-oic acid, 11-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074508	3,12-Dihydroxy-24-methyl-23-oxolanost-8-en-26-oic acid 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074509	3,9,23-Trihydroxy-4,4,17-trimethylcholesta-14,24-dien-26-oic acid, Me ester 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074510	7,15,26,27-Tetrahydroxylanosta-8,24-dien-3-one, 7-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074511	Ampelozigenin 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074512	Cimigenol; 15-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074513	Cimigenol; 25-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074514	Holost-9(11)-ene-3,12,17-triol, 12-Me ether 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074515	Juruenolide A 	C31H50O5	502.365824	NA	MeJP	NA	NA
+MJ074516	3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-tigloyl, 4-Ac 	C30H50N2O4	502.377058	NA	MeJP	NA	NA
+MJ074517	Baleabuxidine I; N20,N20-Di-Me,N3-(2-methylpropanoyl) 	C30H50N2O4	502.377058	NA	MeJP	NA	NA
+MJ074518	Cycloprotobuxine I; N3,N20,N20-Tri-Me, 6,7-didehydro, N3-benzoyl 	C34H50N2O	502.392314	NA	MeJP	NA	NA
+MJ074519	1,3,22-Hopanetriol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074520	2,3,22-Stictanetriol, 2-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074521	2,3,22-Stictanetriol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074522	20,24-Epoxydammarane-3,25-diol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074523	20,25-Epoxydammarane-3,24-diol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074524	3,11,20-Lupanetriol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074525	3,12,22-Hopanetriol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074526	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Docosyl ester 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074527	6,16,22-Hopanetriol, 16-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074528	6,16,22-Hopanetriol, 6-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074529	6,20,22-Hopanetriol, 20-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074530	6,7,22-Hopanetriol, 6-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074531	6,7,22-Hopanetriol, 7-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074532	Dammar-24-ene-3,11,20-triol, 11-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+MJ074533	Dammar-24-ene-3,16,20-triol, 3-Ac 	C32H54O4	502.40221	NA	MeJP	NA	NA
+C05800	2-Hexaprenylphenol	C36H54O	502.4175	NA	KEGG	NA	NA
+MJ074534	2-(4-Hydroxyphenyl)ethanol; 1-O-Pentacosanoyl 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074535	24-Hydroxy-1-(4-hydroxyphenyl)-5-propyl-1-tetracosanone 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074536	3(15),6-Caryophylladien-5-ol, O-(6-Hydroxyoctadecanoyl)(S-) 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074537	3-(4-Hydroxyphenyl)-1-propanol; 1-Tetracosanoyl 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074538	5-Alkenyl-2,6-dimethoxyphenols; 2,6-Dimethoxy-4-(16-pentacosenyl)phenol 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074539	7-Drimen-11-ol, O-(6-Oxooctadecanoyl) 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074540	Capiquinones; Capiquinone J 	C33H58O3	502.438595	NA	MeJP	NA	NA
+MJ074541	1,1'-[Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane 	C28H54N8	502.447143	NA	MeJP	NA	NA
+MJ074542	5,9,27-Tetratriacontatrienoic acid 	C34H62O2	502.474981	NA	MeJP	NA	NA
+MJ074543	6,26-Pentatriacontadien-2-one 	C35H66O	502.511366	NA	MeJP	NA	NA
+MJ074544	8,26-Pentatriacontadien-2-one 	C35H66O	502.511366	NA	MeJP	NA	NA
+3335	human beta-casein fr,53-61	AQTQSLVYP	502.7495	MH2+	Inhouse_peptide	NA	peptide
+2790	precursor of thyrotropin hormone (1-8 )	KRQHPGKR	502.7895	MH2+	Inhouse_peptide	NA	peptide
+C10985	Deltamethrin	C22H19Br2NO3	502.9732	NA	KEGG	NA	NA
+MJ074545	Aerophobin 2 	C16H19Br2N5O4	502.980379	NA	MeJP	NA	NA
+C17163	Aerophobin 2	C16H19Br2N5O4	502.9804	NA	KEGG	NA	NA
+MJ074546	Dysidenamide 	C15H23Cl6N3O3	502.987057	NA	MeJP	NA	NA
+MJ074547	Dichloro(1,1-cyclohexanedimethanamine-N,N')[sulfato(2-)-O,O']platinum 	C8H18Cl2N2O4PtS	503.001207	NA	MeJP	NA	NA
+MJ074548	Oganomycin I 	C17H21N5O7S3	503.06031	NA	MeJP	NA	NA
+MJ074549	Timoxicillin 	C22H21N3O7S2	503.082091	NA	MeJP	NA	NA
+MJ074550	Sporidesmin D 	C20H26ClN3O6S2	503.095154	NA	MeJP	NA	NA
+MetaCyc03732	luciferyl sulfate []	C26H21N3O6S1	503.115106	NA	metacyc	NA	NA
+MJ074551	Antibiotic PA 32413-I 	C18H25N5O10S	503.132212	NA	MeJP	NA	NA
+MJ074552	1,1,1-Trifluoro-3-[(3-phenoxyphenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-2-propanol 	C24H20F7NO3	503.13314	NA	MeJP	NA	NA
+MJ074553	Wondonine A 	C23H25N3O8S	503.136235	NA	MeJP	NA	NA
+PJ003020	CNMH 	C18H29N7O6S2	503.1621	NA	PeJP	NA	NA
+MJ074554	Gravacridonediol; 2'-O-?-D-Glucopyranoside 	C25H29NO10	503.179146	NA	MeJP	NA	NA
+PJ003021	GSTCH 	C18H29N7O8S	503.1799	NA	PeJP	NA	NA
+MJ074555	2-Butyl-4-chloro-1-[[1-[2-(1H-tetrazol-5-yl)phenyl]-1H-indol-4-yl]methyl]-1H-imidazole-5-carboxylic acid; Et ester 	C26H26ClN7O2	503.18365	NA	MeJP	NA	NA
+MJ074556	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-D-mannopyranosyl-(1?3)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074557	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-D-mannopyranosyl-(1?6)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074558	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?4)-?-D-mannopyranosyl-(1?3)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074559	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?6)-?-D-mannopyranosyl-(1?6)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074560	?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-galactose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074561	?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?2)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074562	?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-galactose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074563	?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074564	?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074565	?-D-Galactopyranosyl-(1?4)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)-D-mannose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074566	?-D-Galactopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-2-amino-2-deoxy-D-glucose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074567	?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+MJ074568	?-D-Mannopyranosyl-(1?3)-?-D-mannopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose 	C18H33NO15	503.185019	NA	MeJP	NA	NA
+PJ003022	GSPDE 	C19H29N5O11	503.1864	NA	PeJP	NA	NA
+PJ003023	GPPCM 	C20H33N5O6S2	503.1873	NA	PeJP	NA	NA
+MJ074569	Hernandaline, 6a,7-Didehydro 	C29H29NO7	503.194402	NA	MeJP	NA	NA
+PJ003024	SSSSH 	C18H29N7O10	503.1976	NA	PeJP	NA	NA
+PJ003025	SPDW 	C23H29N5O8	503.2016	NA	PeJP	NA	NA
+PJ003026	PQEM 	C20H33N5O8S	503.205	NA	PeJP	NA	NA
+PJ003027	GNQW 	C22H29N7O7	503.2129	NA	PeJP	NA	NA
+MJ074570	Nocamycin I 	C26H33NO9	503.215531	NA	MeJP	NA	NA
+PJ003028	PCER 	C19H33N7O7S	503.2162	NA	PeJP	NA	NA
+PJ003029	APMW 	C24H33N5O5S	503.2203	NA	PeJP	NA	NA
+3291	bovine kappa-casein fr,113-116	NQDK	503.2218	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003030	VQEE 	C20H33N5O10	503.2228	NA	PeJP	NA	NA
+PJ003031	PNHH 	C21H29N9O6	503.2241	NA	PeJP	NA	NA
+6989	coeliac toxic peptide	QPYP	503.225	antioxidative	Inhouse_peptide	NA	peptide
+7896	peptide from human milk b-casein (170-173)	PYPQ	503.225	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ074571	Episcopalidine 	C30H33NO6	503.230787	NA	MeJP	NA	NA
+MJ074572	Oxalicine A 	C30H33NO6	503.230787	NA	MeJP	NA	NA
+PJ003032	AEER 	C19H33N7O9	503.234	NA	PeJP	NA	NA
+CJneg0634	Androsterone glucuronide [(M+Cl)]- (13C)	C2413CH38ClO8	503.237225	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0634	Androsterone glucuronide [(M+Cl)]- (13C)	C2413CH38ClO8	503.237225	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ074573	Norplicacetin 	C24H33N5O7	503.237998	NA	MeJP	NA	NA
+PJ003033	GLEW 	C24H33N5O7	503.238	NA	PeJP	NA	NA
+PJ003034	PKEM 	C21H37N5O7S	503.2414	NA	PeJP	NA	NA
+8020	synthetic peptide	LWW	503.242	antibacterial	Inhouse_peptide	NA	peptide
+PJ003035	SNQR 	C18H33N9O8	503.2452	NA	PeJP	NA	NA
+PJ003036	GNKW 	C23H33N7O6	503.2493	NA	PeJP	NA	NA
+MJ074574	Hetisan-2,3,9,11,13,14-hexol, 2-(2-Methylbutanoyl), 3-Ac 	C27H37NO8	503.251917	NA	MeJP	NA	NA
+MJ074575	Lankacidin R 	C27H37NO8	503.251917	NA	MeJP	NA	NA
+MJ074576	Lankacidinol; 14-Ac 	C27H37NO8	503.251917	NA	MeJP	NA	NA
+PJ003037	PTMR 	C20H37N7O6S	503.2526	NA	PeJP	NA	NA
+PJ003038	LWW 	C28H33N5O4	503.2533	NA	PeJP	NA	NA
+PJ003039	SSPTL 	C21H37N5O9	503.2591	NA	PeJP	NA	NA
+PJ003040	VKEE 	C21H37N5O9	503.2592	NA	PeJP	NA	NA
+MJ074577	Antibiotic 35763 	C26H37N3O7	503.26315	NA	MeJP	NA	NA
+MJ074578	Madumycin II 	C26H37N3O7	503.26315	NA	MeJP	NA	NA
+2705	erythromycin inhibitor	MVVGV	503.2654	NA	Inhouse_peptide	NA	peptide
+MJ074579	Suinin 	C31H37NO5	503.267173	NA	MeJP	NA	NA
+PJ003041	SLER 	C20H37N7O8	503.2704	NA	PeJP	NA	NA
+C17008	Mycalamide A	C24H41NO10	503.273	NA	KEGG	NA	NA
+MJ074580	Mycalamide A 	C24H41NO10	503.273046	NA	MeJP	NA	NA
+PJ003042	SVLW 	C25H37N5O6	503.2744	NA	PeJP	NA	NA
+PJ003043	LLQM 	C22H41N5O6S	503.2778	NA	PeJP	NA	NA
+MJ074581	Roehybridine; 4'-Demethoxy 	C30H37N3O4	503.278406	NA	MeJP	NA	NA
+MJ074582	Roehybridine; 7a,10-Diepimer, 4'-demethoxy 	C30H37N3O4	503.278406	NA	MeJP	NA	NA
+MJ074583	Roehybridine; 9-Epimer, 4'-demethoxy 	C30H37N3O4	503.278406	NA	MeJP	NA	NA
+PJ003044	SNKR 	C19H37N9O7	503.2816	NA	PeJP	NA	NA
+PJ003045	VVMR 	C21H41N7O5S	503.289	NA	PeJP	NA	NA
+PJ003046	GTTLL 	C22H41N5O8	503.2955	NA	PeJP	NA	NA
+EUR700	Lyso PE (18:0) [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR735	Lyso PC 15:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR835	Lyso PE 18:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR700	Lyso PE (18:0) [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR735	Lyso PC 15:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR835	Lyso PE 18:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR700	Lyso PE (18:0) [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR735	Lyso PC 15:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR835	Lyso PE 18:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR700	Lyso PE (18:0) [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	Inhousejuil11	NA	NA
+EUR735	Lyso PC 15:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	Inhousejuil11	NA	NA
+EUR835	Lyso PE 18:0 [M+Na]+	C23H48NO7P	503.298788	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11484	LysoPE(0:0/20:3(11Z,14Z,17Z))	C25H46NO7P	503.301178	NA	HMDB2010	NA	NA
+HMDB11485	LysoPE(0:0/20:3(5Z,8Z,11Z))	C25H46NO7P	503.301178	NA	HMDB2010	NA	NA
+HMDB11486	LysoPE(0:0/20:3(8Z,11Z,14Z))	C25H46NO7P	503.301178	NA	HMDB2010	NA	NA
+HMDB11514	LysoPE(20:3(11Z,14Z,17Z)/0:0)	C25H46NO7P	503.301178	NA	HMDB2010	NA	NA
+HMDB11515	LysoPE(20:3(5Z,8Z,11Z)/0:0)	C25H46NO7P	503.301178	NA	HMDB2010	NA	NA
+HMDB11516	LysoPE(20:3(8Z,11Z,14Z)/0:0)	C25H46NO7P	503.301178	NA	HMDB2010	NA	NA
+EUR726	Lyso PC 18:3 [M-H-CH3]-	C26H48NO7P	503.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR874	Lyso PE 20:3 monoisotopic mass 	C25H46NO7P	503.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR726	Lyso PC 18:3 [M-H-CH3]-	C26H48NO7P	503.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR874	Lyso PE 20:3 monoisotopic mass 	C25H46NO7P	503.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR726	Lyso PC 18:3 [M-H-CH3]-	C26H48NO7P	503.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR874	Lyso PE 20:3 monoisotopic mass 	C25H46NO7P	503.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR726	Lyso PC 18:3 [M-H-CH3]-	C26H48NO7P	503.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR874	Lyso PE 20:3 monoisotopic mass 	C25H46NO7P	503.301192	masses lipides attendues	Inhousejuil11	NA	NA
+MJ074584	PC-M5 	C32H41NO4	503.303558	NA	MeJP	NA	NA
+MJ074585	Phomopsichalasin 	C32H41NO4	503.303558	NA	MeJP	NA	NA
+MJ074586	Sulpinine B; 18?,19?-Epoxide 	C32H41NO4	503.303558	NA	MeJP	NA	NA
+PJ003047	TQKK 	C21H41N7O7	503.3068	NA	PeJP	NA	NA
+C15760	Pederin	C25H45NO9	503.3094	NA	KEGG	NA	NA
+PJ003048	PLKF 	C26H41N5O5	503.3108	NA	PeJP	NA	NA
+PJ003049	LLKM 	C23H45N5O5S	503.3142	NA	PeJP	NA	NA
+MJ074587	Antillatoxin 	C28H45N3O5	503.335921	NA	MeJP	NA	NA
+PJ003050	TKKK 	C22H45N7O6	503.3432	NA	PeJP	NA	NA
+MJ074588	7-Bromo-2-(3-bromo-1,2-propadienyl)-5-(1-bromopropyl)-8-chlorooctahydro-2H-furo[3,2-b]oxocin 	C15H20Br3ClO2	503.870195	NA	MeJP	NA	NA
+MJ074589	Caespitol; 5?,6-Dihydroxy, 8-Ac 	C17H27Br2ClO5	503.991376	NA	MeJP	NA	NA
+MJ074590	Aranotin; Ac 	C22H20N2O8S2	504.066107	NA	MeJP	NA	NA
+MJ074591	Scabrosine; Di-Ac 	C22H20N2O8S2	504.066107	NA	MeJP	NA	NA
+C07606	Hypericin	C30H16O8	504.0845	NA	KEGG	NA	NA
+MJ074592	Hypericin 	C30H16O8	504.084517	NA	MeJP	NA	NA
+MJ074593	3',4',5,7-Tetrahydroxyflavone; 3'-O-(4-O-Acetyl-?-D-glucuronopyranoside) 	C23H20O13	504.09039	NA	MeJP	NA	NA
+MJ074594	3',4',5,7-Tetrahydroxyflavone; 3'-O-(O-Acetyl-?-D-glucuronopyranoside) 	C23H20O13	504.09039	NA	MeJP	NA	NA
+MJ074595	3',4',5,7-Tetrahydroxyflavone; 7-O-(2-O-Acetyl-?-D-glucuronopyranoside) 	C23H20O13	504.09039	NA	MeJP	NA	NA
+MJ074596	Ellagic acid; 3-Me ether, 8-O-(2-O-acetyl-?-L-rhamnopyranoside) 	C23H20O13	504.09039	NA	MeJP	NA	NA
+MJ074597	Ellagic acid; 3-Me ether, 8-O-(3-O-acetyl-?-L-rhamnopyranoside) 	C23H20O13	504.09039	NA	MeJP	NA	NA
+MJ074598	Ellagic acid; 3-Me ether, 8-O-(4-O-acetyl-?-L-rhamnopyranoside) 	C23H20O13	504.09039	NA	MeJP	NA	NA
+MJ074599	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(O-Malonyl-?-D-xylopyranoside) 	C23H21O13(+)	504.09039	NA	MeJP	NA	NA
+FL3FACGS0068	Luteolin 3'-(3''-acetylglucuronide)	C23H20O13	504.09039	160598-98-1	knapsack	NA	NA
+FL3FACGS0069	Luteolin 3'-(4''-acetylglucuronide)	C23H20O13	504.09039	160598-97-0	knapsack	NA	NA
+FL5FEAGS0025	5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide;4-(9-Hydroxy-7-methoxy-8-oxo-8H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl)phenyl beta-D-glucopyranosiduronic acid	C23H20O13	504.09039	374680-84-9	knapsack	NA	NA
+MJ074600	[6-Iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)methanone 	C23H25IN2O3	504.090986	NA	MeJP	NA	NA
+MJ074601	Triclonide 	C24H28Cl3FO4	504.10372	NA	MeJP	NA	NA
+MJ074602	3,4,6,7-Tetrahydro-4,7,10,15,16-pentahydroxy-8-methoxy-3-methyl-1H-naphtho[2',3':6,7]phenanthro[3,2-c]pyran-1,9,14-trione 	C27H20O10	504.105646	NA	MeJP	NA	NA
+MJ074603	Antibiotic WS 79089B; ?-Lactone, 1'R-hydroxy 	C27H20O10	504.105646	NA	MeJP	NA	NA
+MJ074604	Duclauxin; O-De-Ac 	C27H20O10	504.105646	NA	MeJP	NA	NA
+FL3FAAGS0043	Apigenin 7-(2''-glucosyllactate)	C24H24O12	504.12677	126394-94-3	knapsack	NA	NA
+FL3FADCS0004	Scoparin 6''-acetate	C24H24O12	504.12677	65725-05-5	knapsack	NA	NA
+FL3FEAGS0023	Pectolinarigenin 7-(6''-methylglucuronide)	C24H24O12	504.12677	70938-59-9	knapsack	NA	NA
+FL5FCAGL0007	Rhamnocitrin 3-(6''-acetylglucoside)	C24H24O12	504.12677	123442-25-1	knapsack	NA	NA
+FLIA2LGS0001	Dalpatein 7-O-glucoside;Dalpatin	C24H24O12	504.12677	40522-40-5	knapsack	NA	NA
+FLIAECGS0004	Isoplatycarpanetin 7-O-glucoside;Dipteryxine 7-O-glucoside	C24H24O12	504.12677	-	knapsack	NA	NA
+FLIAFCGS0002	Platycarpanetin 7-O-glucoside	C24H24O12	504.12677	52783-55-8	knapsack	NA	NA
+FLNACCGS0003	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside	C24H24O12	504.12677	117783-71-8	knapsack	NA	NA
+MJ074605	1,4,5-Naphthalenetriol; 4-O-[(3,5-Dihydroxy-4-methoxybenzoyl)-(?6)-?-D-glucopyranoside] 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074606	2',4',5',6,7-Pentahydroxyisoflavone; 4',5'-Methylene, 2',6-di-Me ether, 7-O-?-D-glucopyranoside 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074607	3',4',5,6,7-Pentahydroxyisoflavone; 5,6-Di-Me, 3',4'-methylene ether, 7-O-?-D-glucopyranoside 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074608	3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,8-di-Me ether, 7-O-?-D-glucopyranoside 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074609	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074610	4',5,7-Trihydroxy-3'-methoxyflavone; 4'-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074611	4',5,7-Trihydroxyflavone; 7-O-(2-?-D-Glucopyranosyloxypropanoyl) 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074612	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-(6-acetyl-?-D-galactopyranoside) 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074613	5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucuronoside, Me ester 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074614	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074615	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 6''-O-Ac 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074616	Garashangin 	C24H24O12	504.126776	NA	MeJP	NA	NA
+MJ074617	Antibiotic C 43219 	C19H28N4O8S2	504.134855	NA	MeJP	NA	NA
+MJ074618	Bequinostatin A 	C28H24O9	504.142032	NA	MeJP	NA	NA
+PJ003051	CDMH 	C18H28N6O7S2	504.1461	NA	PeJP	NA	NA
+C11728	Clindamycin phosphate	C18H34ClN2O8PS	504.1462	NA	KEGG	NA	NA
+MJ074619	Clindamycin; O2'-Phosphate 	C18H34ClN2O8PS	504.1462	NA	MeJP	NA	NA
+MJ074620	1-O-p-Coumaroylglucose; ?-D-form, 3'-Hydroxy, 3'-O-?-D-glucopyranoside 	C21H28O14	504.147905	NA	MeJP	NA	NA
+MJ074621	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, [?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C21H28O14	504.147905	NA	MeJP	NA	NA
+MJ074622	6-O-?-D-Glucopyranosyl-D-glucose; 1-O-(3,4-Dihydroxycinnamoyl) 	C21H28O14	504.147905	NA	MeJP	NA	NA
+MJ074623	Sucrose; 6-O-(3,4-Dihydroxycinnamoyl)(E-) 	C21H28O14	504.147905	NA	MeJP	NA	NA
+MJ074624	Cyclosiphonodictyol A; Disulfate 	C22H32O9S2	504.148774	NA	MeJP	NA	NA
+FL1AAKGM0001	6-Hydroxy-5-methyl-3',4',5'-trimethoxyaurone-4-O-alpha-L-rhamnopyranoside	C25H28O11	504.16316	828940-04-1	knapsack	NA	NA
+FL1AAKGM0002	6-Hydroxy-7-methyl-3',4',5'-trimethoxyaurone 4-O-rhamnoside	C25H28O11	504.16316	571194-61-1	knapsack	NA	NA
+FL5FEAGS0024	6-Hydroxykaempferol 3,5,7,4'-tetramethyl ether 6-rhamnoside;6-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,5,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C25H28O11	504.16316	213137-75-8	knapsack	NA	NA
+MJ074625	3,4',5,6,7-Pentahydroxyflavone; 3,4',5,7-Tetra-Me ether, 6-O-?-L-rhamnopyranoside 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074626	3-(3-Hydroxypropyl)phthalide; O-[6-O-(4-hydroxy-3-methoxybenzoyl)-?-D-glucopyranoside] 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074627	7-Hydroxyugandoside, 7-Cinnamoyl 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074628	Bipinnatin B; 17-Carboxylic acid, Me ester 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074629	Bothriolide 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074630	Neosergeolide 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074631	Sergeolide 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074632	Serratoside B 	C25H28O11	504.163161	NA	MeJP	NA	NA
+MJ074633	Sweroside; 2'-O-(4-Hydroxy-E-cinnamoyl) 	C25H28O11	504.163161	NA	MeJP	NA	NA
+C08782	Sergeolide	C25H28O11	504.1632	NA	KEGG	NA	NA
+C12410	Urdamycinone F	C25H28O11	504.1632	NA	KEGG	NA	NA
+PJ003052	GPCND 	C18H28N6O9S	504.1639	NA	PeJP	NA	NA
+PJ003053	GCYY 	C23H28N4O7S	504.1679	NA	PeJP	NA	NA
+C00492	Raffinose	C18H32O16	504.169	NA	KEGG	NA	NA
+C00713	Panose	C18H32O16	504.169	NA	KEGG	NA	NA
+C00714	Pectin	C18H32O16	504.169	NA	KEGG	NA	NA
+C00883	Galactomannan	C18H32O16	504.169	NA	KEGG	NA	NA
+C01835	Maltotriose	C18H32O16	504.169	NA	KEGG	NA	NA
+C01836	Neurotensin	C18H32O16	504.169	NA	KEGG	NA	NA
+C02160	Isomaltotriose	C18H32O16	504.169	NA	KEGG	NA	NA
+C03367	6-alpha-Maltosylglucose	C18H32O16	504.169	NA	KEGG	NA	NA
+C03661	1F-beta-D-Fructosylsucrose	C18H32O16	504.169	NA	KEGG	NA	NA
+C03848	6F-alpha-D-Galactosylsucrose	C18H32O16	504.169	NA	KEGG	NA	NA
+C03849	Acyl-sn-glycerol 3-phosphate	C18H32O16	504.169	NA	KEGG	NA	NA
+C05404	D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose	C18H32O16	504.169	NA	KEGG	NA	NA
+C06219	Cellotriose	C18H32O16	504.169	NA	KEGG	NA	NA
+C08239	beta-D-Fructofuranosyl	C18H32O16	504.169	NA	KEGG	NA	NA
+C08243	Melezitose	C18H32O16	504.169	NA	KEGG	NA	NA
+C08251	Umbelliferose	C18H32O16	504.169	NA	KEGG	NA	NA
+MJ074634	1-Kestose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074635	6-Kestose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074636	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074637	?-D-Galactopyranosyl-(1?2)-[?-D-galactopyranosyl-(1r4)]-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074638	?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074639	?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?6)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074640	?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074641	?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074642	?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074643	?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074644	?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?2)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074645	?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074646	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074647	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074648	?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074649	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074650	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074651	?-D-Glucopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074652	?-D-Glucopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074653	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074654	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074655	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074656	?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?2)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074657	?-D-Mannopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074658	?-D-Mannopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074659	?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074660	Cellotriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074661	Dextrantriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074662	Galactotriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074663	Gentianose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074664	Gentiotriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074665	Inulotriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074666	Isomaltotriulose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074667	Kojitriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074668	Lactulosucrose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074669	Laminaritriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074670	Maltotriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074671	Mannimositose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074672	Mannotriose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074673	Melezitose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074674	Neapolitanose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074675	Neokestose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074676	Nigeglanose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074677	Panose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074678	Planteose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074679	Raffinose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074680	Selaginose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074681	Theanderose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074682	Umbelliferose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074683	chiro-Inositol, 2-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074684	?-D-Galactopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074685	?-D-Galactopyranosyl-(1?3)-?-D-fructofuranosyl ?-D-glucopyranoside 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074686	?-D-Galactopyranosyl-(1?3)-[?-D-galactopyranosyl-(1r6)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074687	?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074688	?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074689	?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?3)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074690	?-D-Galactopyranosyl-(1?6)-?-D-galactofuranosyl-(1?6)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074691	?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074692	?-D-Galactopyranosyl-(1?6)-[?-D-mannopyranosyl-(1?4)]-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074693	?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074694	?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074695	?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074696	?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074697	?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074698	?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?6)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074699	?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074700	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074701	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074702	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074703	?-D-Glucopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074704	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?2)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074705	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074706	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074707	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074708	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074709	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074710	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074711	?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-D-glucose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074712	?-D-Mannopyranosyl-(1?2)-[?-D-mannopyranosyl-(1?4)]-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074713	?-D-Mannopyranosyl-(1?2)-[?-D-mannopyranosyl-(1?6)]-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074714	?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?2)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074715	?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?3)-D-galactose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074716	?-D-Mannopyranosyl-(1?3)-[?-D-mannopyranosyl-(1?6)]-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074717	?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074718	?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?4)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074719	?-D-Mannopyranosyl-(1?6)-?-D-mannopyranosyl-(1?6)-D-mannose 	C18H32O16	504.169034	NA	MeJP	NA	NA
+MJ074720	Cellotriose 	C18H32O16	504.169035	NA	MeJP	NA	NA
+MJ074721	D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose 	C18H32O16	504.169035	NA	MeJP	NA	NA
+MJ074722	Raffinose 	C18H32O16	504.169035	NA	MeJP	NA	NA
+MetaCyc03733	&beta;-D-fructofuranosyl-(2->1)-&beta;-D-fructofuranosyl &alpha;-D-glucopyranoside [2-[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl] oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;1F-&beta;-D-fructosylsucrose;]	C18H32O16	504.169035	NA	metacyc	NA	NA
+MetaCyc03734	6F-&alpha;-D-galactosylsucrose [Planteose;]	C18H32O16	504.169035	470-57-5	metacyc	NA	NA
+MetaCyc03735	raffinose [melitose;melitriose;gossypose;6G-&alpha;-D-galactosylsucrose;]	C18H32O16	504.169035	512-69-6	metacyc	NA	NA
+MetaCyc03736	6G-kestotriose [kestotriose;]	C18H32O16	504.169035	NA	metacyc	NA	NA
+MetaCyc03737	6-kestotriose [6-kestose;]	C18H32O16	504.169035	NA	metacyc	NA	NA
+MetaCyc03738	1-kestotriose [1-kestose;]	C18H32O16	504.169035	NA	metacyc	NA	NA
+MetaCyc03739	maltodextrin [4-{(1,4)-&alpha;-D-glucosyl}(n-1)-D-glucose;maltodextrins;maltodextrin(n);maltodextrin(n-2);n+2 maltodextrin;linear maltodextrin;]	C18H32O16	504.169035	NA	metacyc	NA	NA
+MetaCyc03740	laminarin [Laminaran;]	C18H32O16	504.169035	9008-22-4	metacyc	NA	NA
+MetaCyc03741	maltotriose [Amylotriose;]	C18H32O16	504.169035	1109-28-0	metacyc	NA	NA
+MetaCyc03742	cellotriose [2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;]	C18H32O16	504.169035	33404-34-1	metacyc	NA	NA
+HMDB01262	Maltotriose	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB03213	Raffinose	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB03539	Levan	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB06599	3-Galactosyllactose	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB06857	Dextrin	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB11729	1-Kestose	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB11730	Melezitose	C18H32O16	504.169037	NA	HMDB2010	NA	NA
+HMDB01262	Maltotriose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB01262	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03213	Raffinose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB03213	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01262	Maltotriose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB01262	HMDB	NA	NA
+HMDB03213	Raffinose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB03213	HMDB	NA	NA
+HMDB03539	Levan	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB03539	HMDB	NA	NA
+HMDB06599	3-Galactosyllactose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB06599	HMDB	NA	NA
+HMDB06857	Dextrin	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB06857	HMDB	NA	NA
+HMDB01262	Maltotriose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB01262	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03213	Raffinose	C18H32O16	504.16904	http://www.hmdb.ca/metabolites/HMDB03213	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01262	Maltotriose	C18H32O16	504.16904	HMDB01262	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03213	Raffinose	C18H32O16	504.16904	HMDB03213	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03539	Levan	C18H32O16	504.16904	HMDB03539	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06599	3-Galactosyllactose	C18H32O16	504.16904	HMDB06599	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06857	Dextrin	C18H32O16	504.16904	HMDB06857	PFEM_hmdb_metabocards_official	NA	NA
+MJ074723	Antibiotic TAN 1532B 	C29H28O8	504.178417	NA	MeJP	NA	NA
+MJ074724	Binankadsurin A; 7-Ketone, benzoyl 	C29H28O8	504.178417	NA	MeJP	NA	NA
+MJ074725	Deacylinteriorin; 7-Benzoyl 	C29H28O8	504.178417	NA	MeJP	NA	NA
+MJ074726	Deacylschiarisanrin; 10-Benzoyl 	C29H28O8	504.178417	NA	MeJP	NA	NA
+MJ074727	Gomisin R; Benzoyl 	C29H28O8	504.178417	NA	MeJP	NA	NA
+MJ074728	Oxokadsurane; Benzoyl 	C29H28O8	504.178417	NA	MeJP	NA	NA
+PJ003054	NNEE 	C18H28N6O11	504.1816	NA	PeJP	NA	NA
+PJ003055	SMMH 	C19H32N6O6S2	504.1825	NA	PeJP	NA	NA
+MJ074729	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-2-O-acetyl-?-D-glucopyranoside] 	C22H32O13	504.184291	NA	MeJP	NA	NA
+MJ074730	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 1,4'-di-O-?-D-glucopyranoside 	C22H32O13	504.184291	NA	MeJP	NA	NA
+MJ074731	3-(3,4-Dihydroxyphenyl)-2-propen-1-ol, 3'-Me ether, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H32O13	504.184291	NA	MeJP	NA	NA
+MJ074732	Diderroside; O-De-Ac, O-tigloyl 	C22H32O13	504.184291	NA	MeJP	NA	NA
+PJ003056	PEEM 	C20H32N4O9S	504.189	NA	PeJP	NA	NA
+PJ003057	GSNNN 	C17H28N8O10	504.1929	NA	PeJP	NA	NA
+PJ003058	GNEW 	C22H28N6O8	504.1969	NA	PeJP	NA	NA
+MJ074733	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, di-Ac 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074734	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-(4-Acetoxy-2-acetoxymethyl-2E-butenoyl), 3-Ac 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074735	4,18:12,20:15,16-Triepoxy-6,19,20-trihydroxy-13(16),14-clerodadien-7-one, Tri-Ac 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074736	4,18:15,16-Diepoxy-3,6,19-trihydroxy-13(16),14-clerodadien-20,12-olide, Tri-Ac 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074737	4,18:7,20:15,16-Triepoxy-12,19,20-trihydroxy-13(16),14-clerodadien-6-one, 12,19,20-Tri-Ac 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074738	Galeon, 9-(?-D-Glucopyranosyloxy) 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074739	Galeon, 16-?-D-Glucopyranosyloxy 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074740	Homoegonol; O-?-D-Glucopyranoside 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074741	Teulanigeral 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074742	Teulanigeridin 	C26H32O10	504.199547	NA	MeJP	NA	NA
+MJ074743	Teulanigin 	C26H32O10	504.199547	NA	MeJP	NA	NA
+PJ003059	GSPNM 	C19H32N6O8S	504.2003	NA	PeJP	NA	NA
+MJ074744	Chlorhexidine 	C22H30Cl2N10	504.203196	NA	MeJP	NA	NA
+C06902	Chlorhexidine	C22H30Cl2N10	504.2032	NA	KEGG	NA	NA
+C06903	Transferred to D00268	C22H30Cl2N10	504.2032	NA	KEGG	NA	NA
+C06904	Transferred to D00269	C22H30Cl2N10	504.2032	NA	KEGG	NA	NA
+MJ074745	Asterridinone 	C32H28N2O4	504.204907	NA	MeJP	NA	NA
+MJ074746	Asterriquinone D; 6''-(3-Methyl-1,3-butadienyl), 6'-(3-methyl-2-butenyl), di-O-de-Me 	C32H28N2O4	504.204907	NA	MeJP	NA	NA
+MJ074747	Cochliodinone 	C32H28N2O4	504.204907	NA	MeJP	NA	NA
+PJ003060	VEEE 	C20H32N4O11	504.2068	NA	PeJP	NA	NA
+PJ003061	PDHH 	C21H28N8O7	504.2081	NA	PeJP	NA	NA
+MJ074748	1,10-Bis(2-hydroxyethylthio)decane; Bis(3-pyridinecarbonyl) 	C26H36N2O4S2	504.211649	NA	MeJP	NA	NA
+PJ003062	NWW 	C26H28N6O5	504.2121	NA	PeJP	NA	NA
+FL3FALNP0018	Heterophyllin	C30H32O7	504.2148	-	knapsack	NA	NA
+FL3FRNNP0002	Artocommunol CC;(9S)-8,9-Dihydro-6,12-dihydroxy-9-(1-hydroxy-1-methylethyl)-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2',3':7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one	C30H32O7	504.2148	502627-55-6	knapsack	NA	NA
+FL4DRNNP0002	Sorocein D	C30H32O7	504.2148	157382-81-5	knapsack	NA	NA
+FL4DRNNP0003	Sorocein E	C30H32O7	504.2148	163633-91-8	knapsack	NA	NA
+FL4DRNNP0004	Sanggenon L	C30H32O7	504.2148	92280-13-2	knapsack	NA	NA
+FL5FACNP0002	Broussoflavonol D	C30H32O7	504.2148	104494-30-6	knapsack	NA	NA
+FL5FACNP0004	Poinsettifolin A;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-8-methyl-6-(3-methyl-2-butenyl)-8-(4-methyl-3-pentenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C30H32O7	504.2148	211183-24-3	knapsack	NA	NA
+FL5FACNP0007	Dorsmanin C;2-(3,4-Dihydroxyphenyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C30H32O7	504.2148	211307-52-7	knapsack	NA	NA
+FLIG1LNI0007	Euchretin C;5,7,4',5'-Tetrahydroxy-6,8,3'-triprenylcoumaronochromone	C30H32O7	504.2148	125002-86-0	knapsack	NA	NA
+MJ074749	Artocarpol B 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074750	Artonin G 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074751	Broussoflavonol D 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074752	Dorsmanin C 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074753	Euchretin C 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074754	Heterophyllin 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074755	Lactucin 8-O-hypoglabrate 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074756	Poinsettifolin A 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074757	Poinsettifolin B 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074758	Sanggenon L 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074759	Sorocein D 	C30H32O7	504.214803	NA	MeJP	NA	NA
+MJ074760	Sorocein E 	C30H32O7	504.214803	NA	MeJP	NA	NA
+PJ003063	AMHF 	C23H32N6O5S	504.2155	NA	PeJP	NA	NA
+PJ003064	NDKE 	C19H32N6O10	504.218	NA	PeJP	NA	NA
+MJ074761	6-Pentyl-1,2,4-benzenetriol; 2-Me ether, 4-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C23H36O12	504.220676	NA	MeJP	NA	NA
+MJ074762	Furcatoside C 	C23H36O12	504.220676	NA	MeJP	NA	NA
+MJ074763	Patrinoside; 10-Ac 	C23H36O12	504.220676	NA	MeJP	NA	NA
+MJ074764	Patrinoside; 3'-Ac 	C23H36O12	504.220676	NA	MeJP	NA	NA
+PJ003065	PPEY 	C24H32N4O8	504.222	NA	PeJP	NA	NA
+PJ003066	SNER 	C18H32N8O9	504.2292	NA	PeJP	NA	NA
+PJ003067	GGSER 	C18H32N8O9	504.2293	NA	PeJP	NA	NA
+CJneg0635	Androsterone glucuronide [(M+Cl)]- (37Cl)	C25H38Cl037ClO8	504.230925	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0635	Androsterone glucuronide [(M+Cl)]- (37Cl)	C25H38Cl037ClO8	504.230925	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ003068	GDKW 	C23H32N6O7	504.2333	NA	PeJP	NA	NA
+MJ074765	11,12-Epoxy-2,4,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 2-Propanoyl, 4,14-di-Ac 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074766	18,19-Epoxy-2,6,18,19-tetrahydroxy-15-nor-3,12-clerodadien-14-al, 2-(Methylpropenoyl), 18,19-di-Ac 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074767	3,3',4,4',5,9,9'-Heptahydroxylignan, 3,3',4,4',5-Penta-Me ether, 9,9'-di-Ac 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074768	Clavulones, 20-Acetoxy 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074769	Crocetin, ?-D-Flucopyranosyl Me diester 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074770	Ryanodol; 3-Benzoyl 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074771	Simarolide 	C27H36O9	504.235932	NA	MeJP	NA	NA
+MJ074772	Xylarin 	C27H36O9	504.235932	NA	MeJP	NA	NA
+PJ003069	VQQM 	C20H36N6O7S	504.2366	NA	PeJP	NA	NA
+PJ003070	GGGALM 	C20H36N6O7S	504.2367	NA	PeJP	NA	NA
+C15628	SR 12813	C24H42O7P2	504.2406	NA	KEGG	NA	NA
+PJ003071	GSRW 	C22H32N8O6	504.2445	NA	PeJP	NA	NA
+PJ003072	AQMR 	C19H36N8O6S	504.2479	NA	PeJP	NA	NA
+FL2FADNP0001	Amoricin	C31H36O6	504.25118	119347-01-2	knapsack	NA	NA
+FL3FALNI0010	Brosimone H	C31H36O6	504.25118	123064-85-7	knapsack	NA	NA
+MJ074773	1,4,9-Trihydroxydihydro-?-agarofuran, 1-Benzoyl, 9-cinnamoyl 	C31H36O6	504.251188	NA	MeJP	NA	NA
+MJ074774	2',4',5,7-Tetrahydroxy-3',6,8-triprenylisoflavone; 2'-Me ether 	C31H36O6	504.251188	NA	MeJP	NA	NA
+MJ074775	Amoridin, 3'-Me ether 	C31H36O6	504.251188	NA	MeJP	NA	NA
+MJ074776	Brosimone H 	C31H36O6	504.251188	NA	MeJP	NA	NA
+MJ074777	Isoamoridin, 3'-Me ether 	C31H36O6	504.251188	NA	MeJP	NA	NA
+MJ074778	Betamethasone; 17,21-Dipropanoyl 	C28H37FO7	504.252331	NA	MeJP	NA	NA
+MJ074779	Betamethasone; 17-(2-Methylpropanoyl), 21-Ac 	C28H37FO7	504.252331	NA	MeJP	NA	NA
+3290	NA	KRDS	504.2539	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003073	TQKE 	C20H36N6O9	504.2544	NA	PeJP	NA	NA
+MJ074780	4,7-Megastigmadiene-3,9-diol, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O11	504.257062	NA	MeJP	NA	NA
+MJ074781	7-Megastigmene-3,9-diol, 9-Ketone, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O11	504.257062	NA	MeJP	NA	NA
+MJ074782	9-Hydroxy-4-megastigmen-3-one, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C24H40O11	504.257062	NA	MeJP	NA	NA
+MJ074783	9-Hydroxy-4-megastigmen-3-one, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O11	504.257062	NA	MeJP	NA	NA
+MJ074784	9-Hydroxy-4-megastigmen-3-one, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C24H40O11	504.257062	NA	MeJP	NA	NA
+MJ074785	Antibiotic MR 387A 	C25H36N4O7	504.258399	NA	MeJP	NA	NA
+PJ003074	PLEF 	C25H36N4O7	504.2584	NA	PeJP	NA	NA
+PJ003075	ACRR 	C18H36N10O5S	504.2591	NA	PeJP	NA	NA
+PJ003076	LLEM 	C22H40N4O7S	504.2618	NA	PeJP	NA	NA
+MJ074786	20-Hydroxycylindrocarine; N-(3-Phenylpropanoyl) 	C30H36N2O5	504.262422	NA	MeJP	NA	NA
+PJ003077	SDKR 	C19H36N8O8	504.2656	NA	PeJP	NA	NA
+2900	neuropeptide from eyestalk of Macrobrachium rosenb	ADKNFLRF~	504.2689	MH2+	Inhouse_peptide	NA	peptide
+PJ003078	ATKW 	C24H36N6O6	504.2697	NA	PeJP	NA	NA
+C03634	Phorbol 12,13-dibutanoate	C28H40O8	504.2723	NA	KEGG	NA	NA
+C03635	Protein N-ubiquityllysine	C28H40O8	504.2723	NA	KEGG	NA	NA
+C03636	Protein N5-alkylglutamine	C6H8N3O3R3	504.2723	NA	KEGG	NA	NA
+C03637	Protein serine D-xyloside	C9H14N2O7R2	504.2723	NA	KEGG	NA	NA
+C03638	RNA 3'-terminal-phosphate	C10H18O13P2R2	504.2723	NA	KEGG	NA	NA
+C15537	Taxuyunnanin C	C28H40O8	504.2723	NA	KEGG	NA	NA
+MJ074787	1(15),8(19)-Trinervitadiene-2,3,9,11-tetrol, 11-Epimer, 2,3,9,11-tetra-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074788	1(15),8(19)-Trinervitadiene-2,3,9,11-tetrol, 2,3,9,11-Tetra-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074789	1(15),8(19)-Trinervitadiene-2,3,9,13-tetrol, 2,3,9,13-Tetra-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074790	12,20-Epoxy-3-hydroxy-14,17-pregn-5-ene-11,15-dione, 3-O-(3-O-Methyl-D-fucoside) 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074791	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropanoyl), 18,19-di-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074792	18,19-Epoxy-3,12,14-clerodatriene-2,7,18,19-tetrol, 7-Butanoyl, 18,19-di-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074793	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(2-Methylpropanoyl), 18,19-di-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074794	22-Deacetylyanuthone A; 22-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074795	3,8,14-Trihydroxypregna-5,11-dien-18,20-olide, 3-O-?-D-Diginopyranoside 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074796	4(20),11-Taxadiene-2,5,10,14-tetrol, Tetra-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074797	4(20),11-Taxadiene-5,9,10,13-tetrol, Tetra-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074798	5,6,12,21,27-Pentahydroxy-1-oxowitha-2,24-dienolide 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074799	5,6,7,12-Tetrahydroxy-1-oxowitha-2,24-dienolide, 24?,25?-Epoxide 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074800	8,14,17,20,27-Pentahydroxy-1-oxowitha-5,24-dienolide 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074801	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 16-Hydroxy, 12-hexanoyl, 13-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074802	Abrotanifolone 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074803	Amalogenin A; 3-O-?-D-Diginopyranoside 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074804	Digifologenin; 3-O-(2,6-Dideoxy-3-O-methyl-?-D-arabino-hexopyranoside) 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074805	Digifologenin; 3-O-(2-Deoxy-3-O-methyl-?-D-fucopyranoside) 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074806	Glaucogenin C; 3-O-?-D-Oleandropyranoside 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074807	Ixocarpalactone A 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074808	Macrophorin A; 7'-O-(3-Hydroxy-3-methylglutaroyl) 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074809	Mellerin B 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074810	O-Demethylstriatin C; 10-Deoxy, O15-Me, 30-Ac 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074811	Withajardin E 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MJ074812	Withanolide S 	C28H40O8	504.272318	NA	MeJP	NA	NA
+MetaCyc03743	taxuyunnanin C []	C28H40O8	504.272318	NA	metacyc	NA	NA
+PJ003079	VQKM 	C21H40N6O6S	504.273	NA	PeJP	NA	NA
+MJ074813	Amphibine F 	C29H36N4O4	504.273655	NA	MeJP	NA	NA
+MJ074814	Ceanothine B 	C29H36N4O4	504.273655	NA	MeJP	NA	NA
+MJ074815	Lotusine A; N-De-Me 	C29H36N4O4	504.273655	NA	MeJP	NA	NA
+C10001	Ceanothine B	C29H36N4O4	504.2737	NA	KEGG	NA	NA
+PJ003080	SSRR 	C18H36N10O7	504.2769	NA	PeJP	NA	NA
+PJ003081	VLHH 	C23H36N8O5	504.2809	NA	PeJP	NA	NA
+2628	synthetic fr,of human beta-CN (49-52) ACE inhibitor	LIYP	504.283	NA	Inhouse_peptide	NA	peptide
+PJ003082	AKMR 	C20H40N8O5S	504.2843	NA	PeJP	NA	NA
+PJ003083	TKKE 	C21H40N6O8	504.2908	NA	PeJP	NA	NA
+PJ003084	PLLY 	C26H40N4O6	504.2948	NA	PeJP	NA	NA
+PJ003085	TTKR 	C20H40N8O7	504.302	NA	PeJP	NA	NA
+MJ074816	Streptin P1 	C25H40N6O5	504.306018	NA	MeJP	NA	NA
+MJ074817	1,3,5,23,24-Pentahydroxy-30-nor-12,20(29)-oleanadien-28-oic acid 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074818	13,16-Epoxy-24,25-dihydroxy-17-cheilanthen-19,25-olide, 24-(3-Hydroxybutanoyl) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074819	13,24,25-Trihydroxy-15,17-cheilanthadien-19,25-olide, 24-(3-Hydroxybutanoyl) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074820	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 2-(2-methylbutanoyl), 3,4-dihydro, 18,19-di-Ac 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074821	2,3,14,20,22-Pentahydroxycholesta-4,7-dien-6-one, 2-Ac 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074822	2,3,14,20,22-Pentahydroxycholesta-4,7-dien-6-one, 3-Ac 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074823	2,3,16,17-Phyllocladanetetrol, 2-(3-Methyl-2-butenoyl), 3,17-di-Ac 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074824	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074825	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074826	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074827	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074828	3,14-Dihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-arabino-hexopyranoside] 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074829	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074830	5,6-Epoxy-3,4,20-trihydroxy-1-oxowithanolide, 3-Me ether 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074831	Atroxigenic acid 	C29H44O7	504.308703	NA	MeJP	NA	NA
+MJ074832	Capitasterone 	C29H44O7	504.308703	NA	MeJP	NA	NA
+PJ003086	VKKM 	C22H44N6O5S	504.3094	NA	PeJP	NA	NA
+MJ074833	Protomethine; N9-(4-Methoxy-E-cinnamoyl) 	C30H40N4O3	504.310041	NA	MeJP	NA	NA
+MJ074834	Protomethine; N9-(4-Methoxy-Z-cinnamoyl) 	C30H40N4O3	504.310041	NA	MeJP	NA	NA
+MJ074835	Protoverbine; N9-E-Cinnamoyl, N14-Ac 	C30H40N4O3	504.310041	NA	MeJP	NA	NA
+MJ074836	Protoverbine; N9-Z-Cinnamoyl, N14-Ac 	C30H40N4O3	504.310041	NA	MeJP	NA	NA
+MJ074837	Dipyridamole 	C24H40N8O4	504.317251	NA	MeJP	NA	NA
+MJ074838	Eudesobovatol A 	C33H44O4	504.323959	NA	MeJP	NA	NA
+MJ074839	Eudesobovatol B 	C33H44O4	504.323959	NA	MeJP	NA	NA
+C10562	Eudesobovatol A	C33H44O4	504.324	NA	KEGG	NA	NA
+MJ074840	Glycolipid A 	C26H48O9	504.329833	NA	MeJP	NA	NA
+PJ003087	LLLF 	C27H44N4O5	504.3312	NA	PeJP	NA	NA
+MJ074841	1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074842	1,2,3,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074843	1,2,3,24-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074844	1,2,3,24-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074845	1,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074846	1,3,19,23-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074847	1,3,22-Trihydroxy-24-oxocycloartan-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074848	11,23,24,25-Tetrahydroxyprotost-13(17)-ene-3,16-dione 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074849	11-Hydroperoxy-3,23-dihydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074850	12-Oleanene-3,15,16,21,22,28-hexol, 3-Ketone 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074851	12-Oleanene-3,16,21,22,23,28-hexol, 23-Aldehyde 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074852	16,23:16,24-Diepoxy-3,6,7,25-cycloartanetetrol 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074853	2,3,11,19-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074854	2,3,13,16-Tetrahydroxy-23,28-oleananedioic acid, 23-Alcohol, 28?13 lactone 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074855	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-11-one 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074856	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074857	2,3,16,21-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074858	2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074859	2,3,19,22-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074860	2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074861	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074862	2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074863	2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074864	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074865	2,3,23,24-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074866	2,3,23,24-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074867	2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074868	2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074869	2,3,6,23-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074870	2,3,6,23-Tetrahydroxy-20(29)-lupen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074871	2,3,7,19-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074872	2,3,7,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074873	2,9:3,16-Diepoxy-6-asbestinene-4,11-diol, 4-Octanoyl, 11-Ac 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074874	28-Nor-12-oleanene-2,3,16,17,23-pentol, 17-Formyl 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074875	3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074876	3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074877	3,19,21,23-Tetrahydroxy-12-taraxasten-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074878	3,19,21,23-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074879	3,19,23,24-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074880	3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074881	3,21,22,24-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074882	3,21,22,24-Tetrahydroxy-12-oleanen-29-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074883	3,5,6,24-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074884	3,6,19,23-Tetrahydroxy-12-oleanen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074885	3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074886	3,6,19,24-Tetrahydroxy-12-ursen-28-oic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074887	7,14-Labdadiene-2,3,13,20-tetrol, 2-Angeloyl, 20-(2-methylbutanoyl) 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074888	Centoic acid 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074889	Cycloasgenin A 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074890	Ergosta-7,24(28)-diene-1,3,16,20,23-pentol, 16-Ac 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074891	Ergosta-7,24(28)-diene-3,5,6,9,11-pentol, 6-Ac 	C30H48O6	504.345089	NA	MeJP	NA	NA
+MJ074892	Buxanoldine; 31-Deoxy 	C33H48N2O2	504.371578	NA	MeJP	NA	NA
+MJ074893	Buxidienine I; 30-Deoxy, N20,N20-di-Me, N3-benzoyl 	C33H48N2O2	504.371578	NA	MeJP	NA	NA
+MJ074894	Buxodienine I; N3,N3-Di-Me, N20-benzoyl 	C33H48N2O2	504.371578	NA	MeJP	NA	NA
+MJ074895	Cycloxobuxine I; N20,N20-Di-Me, N3-benzoyl 	C33H48N2O2	504.371578	NA	MeJP	NA	NA
+MJ074896	?-Agatoxin AG 488; 4-Hydroxy 	C27H49N6O3(+)	504.378789	NA	MeJP	NA	NA
+MJ074897	11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 25-Me ether 	C31H52O5	504.381474	NA	MeJP	NA	NA
+MJ074898	7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Me ether 	C31H52O5	504.381474	NA	MeJP	NA	NA
+MJ074899	Aragusterol A; Di-Me ketal 	C31H52O5	504.381474	NA	MeJP	NA	NA
+MJ074900	Baleabuxaline I; N20,N20-Di-Me, N3-(2-methylpropanoyl) 	C30H52N2O4	504.392708	NA	MeJP	NA	NA
+MJ074901	Plagiospirolide A 	C35H52O2	504.39673	NA	MeJP	NA	NA
+HMDB06455	Arachidonyl carnitine	C31H54NO4	504.40527	http://www.hmdb.ca/metabolites/HMDB06455	HMDB	NA	NA
+HMDB06455	Arachidonyl carnitine	C31H54NO4	504.40527	HMDB06455	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06455	Arachidonyl carnitine	C31H54NO4	504.405273	NA	HMDB2010	NA	NA
+MJ074902	Cycloprotobuxine I; N3,N20,N20-Tri-Me, N3-benzoyl 	C34H52N2O	504.407964	NA	MeJP	NA	NA
+MJ074903	16,17,19-Kauranetriol, 19-Dodecanoyl 	C32H56O4	504.41786	NA	MeJP	NA	NA
+MJ074904	3,16,21,22-Hopanetetrol, 22-Et ether 	C32H56O4	504.41786	NA	MeJP	NA	NA
+MJ074905	2,6,10-Farnesatriene-1,9-diol, 6,7-Dihydro, 1-(9-octadecenoyl) 	C33H60O3	504.454245	NA	MeJP	NA	NA
+MJ074906	Anaphalisone 	C33H60O3	504.454245	NA	MeJP	NA	NA
+MJ074907	1,7-Pentatriacontadien-11-ol 	C35H68O	504.527016	NA	MeJP	NA	NA
+MJ074908	21-Methyl-8-pentatriacontene 	C36H72	504.563402	NA	MeJP	NA	NA
+2918	neuropeptide from eyestalk of Macrobrachium rosenb	KNEFIRFG	504.76045	MH2+	Inhouse_peptide	NA	peptide
+MJ074909	Purealidin J, 12,13-Dihydro, 13-oxo (12RS)- 	C15H17Br2N5O5	504.959643	NA	MeJP	NA	NA
+MJ074910	3'-Keto-3'-deoxy-ATP 	C10H14N5O13P3	504.980095	NA	MeJP	NA	NA
+C07024	3'-Keto-3'-deoxy-ATP	C10H14N5O13P3	504.9801	NA	KEGG	NA	NA
+MJ074911	Fluazuron 	C20H10Cl2F5N3O3	505.001937	NA	MeJP	NA	NA
+MJ074912	Bis(gluconato-O,O')oxotechnetate(1-) 	C12H22O15Tc(-)	505.01091	NA	MeJP	NA	NA
+HMDB01512	Thiamin triphosphate	C12H20N4O10P3S	505.01129	http://www.hmdb.ca/metabolites/HMDB01512	HMDB	NA	NA
+HMDB01512	Thiamin triphosphate	C12H20N4O10P3S	505.01129	HMDB01512	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01512	Thiamin triphosphate	C12H20N4O10P3S	505.011292	NA	HMDB2010	NA	NA
+MJ074913	Thiamin triphosphate 	C12H20N4O10P3S	505.011298	NA	MeJP	NA	NA
+MetaCyc03744	thiamin triphosphate [Thiamine triphosphate;]	C12H20N4O10P3S1	505.011298	15666-52-1	metacyc	NA	NA
+EUR208	thiamin triphosphate	C12H20N4O10P3S	505.0113	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR208	thiamin triphosphate	C12H20N4O10P3S	505.0113	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR208	thiamin triphosphate	C12H20N4O10P3S	505.0113	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR208	thiamin triphosphate	C12H20N4O10P3S	505.0113	Wishlist	Inhousejuil11	NA	NA
+C03028	Thiamin triphosphate	C12H20N4O10P3S	505.0113	NA	KEGG	NA	NA
+C03029	Transferrin[Fe(II)]2	C12H20N4O10P3S	505.0113	NA	KEGG	NA	NA
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	HMDB	NA	NA
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	Inhouse_PFEM	NA	NA
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR208	Thiamin triphosphate	C12H20N4O10P3S	505.011307	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ074914	5'-Adenylic acid monoanhydride with methylenebis[phosphonic acid] 	C11H18N5O12P3	505.01648	NA	MeJP	NA	NA
+MJ074915	Adenosine 5'-[hydrogen [[hydroxy(phosphonooxy)phosphosphinyl]methyl]phosphonate] 	C11H18N5O12P3	505.01648	NA	MeJP	NA	NA
+C13740	alpha,beta-Methylene ATP	C11H18N5O12P3	505.0165	NA	KEGG	NA	NA
+C13741	beta,gamma-Methylene ATP	C11H18N5O12P3	505.0165	NA	KEGG	NA	NA
+MJ074916	Sporidesmin C 	C18H20ClN3O6S3	505.020275	NA	MeJP	NA	NA
+MJ074917	Sporidesmin E 	C18H20ClN3O6S3	505.020275	NA	MeJP	NA	NA
+MJ074918	Dihydroxanthommatin, 5-O-Sulfate 	C20H15N3O11S	505.042729	NA	MeJP	NA	NA
+MJ074919	Tropesin 	C28H24ClNO6	505.129215	NA	MeJP	NA	NA
+MJ074920	Polyoxin E 	C17H23N5O13	505.129235	NA	MeJP	NA	NA
+MJ074921	N-[4-[2-[[3-[3-(Aminosulfonyl)phenoxy]-2-hydroxypropyl]amino]ethyl]phenyl]benzenesulfonamide 	C23H27N3O6S2	505.134126	NA	MeJP	NA	NA
+FL7AADGL0011	Peonidin 3-(6''-acetylglucoside)	C24H25O12	505.1346	129016-22-4<BR>122796-43-4<BR>114017-67-3	knapsack	NA	NA
+PJ003088	GSCCH 	C17H27N7O7S2	505.1414	NA	PeJP	NA	NA
+MJ074922	10-(Methylthio)decyl glucosinolate 	C18H35NO9S3	505.147393	NA	MeJP	NA	NA
+PJ003089	GPCDD 	C18H27N5O10S	505.1479	NA	PeJP	NA	NA
+PJ003090	NDEE 	C18H27N5O12	505.1656	NA	PeJP	NA	NA
+PJ003091	GGDEE 	C18H27N5O12	505.1657	NA	PeJP	NA	NA
+PJ003092	SPPCC 	C19H31N5O7S2	505.1665	NA	PeJP	NA	NA
+PJ003093	GSNND 	C17H27N7O11	505.1769	NA	PeJP	NA	NA
+PJ003094	GDEW 	C22H27N5O9	505.1809	NA	PeJP	NA	NA
+PJ003095	GSPDM 	C19H31N5O9S	505.1843	NA	PeJP	NA	NA
+MJ074923	Alangiside 	C25H31NO10	505.194796	NA	MeJP	NA	NA
+MJ074924	Alkaloid LA 9 	C25H31NO10	505.194796	NA	MeJP	NA	NA
+MJ074925	N-(3,4-Dihydroxycinnamoyl)dopamine, 3,3'-Di-Me ether, 4-O-?-D-glucopyranoside 	C25H31NO10	505.194796	NA	MeJP	NA	NA
+MJ074926	N-(3,4-Dihydroxycinnamoyl)dopamine, 3,3'-Di-Me ether, 4-O-?-D-galactopyranoside 	C25H31NO10	505.194796	NA	MeJP	NA	NA
+MJ074927	Neoalangiside 	C25H31NO10	505.194796	NA	MeJP	NA	NA
+C09330	Alangiside	C25H31NO10	505.1948	NA	KEGG	NA	NA
+C11815	Isoalangiside	C25H31NO10	505.1948	NA	KEGG	NA	NA
+PJ003096	NNQM 	C18H31N7O8S	505.1955	NA	PeJP	NA	NA
+PJ003097	DWW 	C26H27N5O6	505.1962	NA	PeJP	NA	NA
+PJ003098	PTCW 	C23H31N5O6S	505.1995	NA	PeJP	NA	NA
+MJ074928	Gymnastatin C 	C24H37Cl2NO6	505.199793	NA	MeJP	NA	NA
+PJ003099	TQEE 	C19H31N5O11	505.202	NA	PeJP	NA	NA
+PJ003100	PQMM 	C20H35N5O6S2	505.2029	NA	PeJP	NA	NA
+MJ074929	Tolafentrine 	C28H31N3O4S	505.203527	NA	MeJP	NA	NA
+PJ003101	CNNR 	C17H31N9O7S	505.2067	NA	PeJP	NA	NA
+PJ003102	GGGGCR 	C17H31N9O7S	505.2068	NA	PeJP	NA	NA
+MJ074930	Hernandaline 	C29H31NO7	505.210052	NA	MeJP	NA	NA
+MJ074931	Rocaglatic acid; Dimethylamide 	C29H31NO7	505.210052	NA	MeJP	NA	NA
+PJ003103	SDER 	C18H31N7O10	505.2133	NA	PeJP	NA	NA
+PJ003104	PCMR 	C19H35N7O5S2	505.2141	NA	PeJP	NA	NA
+PJ003105	ATEW 	C23H31N5O8	505.2173	NA	PeJP	NA	NA
+PJ003106	VQEM 	C20H35N5O8S	505.2207	NA	PeJP	NA	NA
+MJ074932	2-Hexyl-2-(hydroxymethyl)-1,3-propanediol; Tris(3-pyridinecarbonyl) 	C28H31N3O6	505.221285	NA	MeJP	NA	NA
+MJ074933	Benidipine 	C28H31N3O6	505.221285	NA	MeJP	NA	NA
+8099	peptide derived from extruded corn gluten	FPLEMMPF	505.2234	MH2+	Inhouse_peptide	NA	peptide
+MJ074934	Amprenavir 	C25H35N3O6S	505.224656	NA	MeJP	NA	NA
+C08086	Amprenavir	C25H35N3O6S	505.2247	NA	KEGG	NA	NA
+3662	NA	ITGSE	505.226	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc03745	4-[N-&gamma;-L-glutamyl-&gamma;-L-glutamyl-)-p-(&beta;-aminoethyl)phenoxy-methyl]-2-(aminomethyl)furan []	C24H33N4O8	505.229839	NA	metacyc	NA	NA
+MJ074935	Nocamycin I; 8-Alcohol 	C26H35NO9	505.231181	NA	MeJP	NA	NA
+MJ074936	Ryanodine; 3-O-(3-Pyridinecarbonyl) analogue 	C26H35NO9	505.231181	NA	MeJP	NA	NA
+MJ074937	Thalifendlerine; O4'-(?-L-Mannopyranoside) 	C26H35NO9	505.231181	NA	MeJP	NA	NA
+PJ003107	AEMR 	C19H35N7O7S	505.2319	NA	PeJP	NA	NA
+PJ003108	GPFW 	C27H31N5O5	505.2325	NA	PeJP	NA	NA
+MJ074938	Monodontamide D 	C27H31N5O5	505.232519	NA	MeJP	NA	NA
+MJ074939	Triletide 	C27H31N5O5	505.232519	NA	MeJP	NA	NA
+CJneg0636	Androsterone glucuronide [(M+Cl)]- (13C+37Cl)	C2413CH38Cl037ClO8	505.234325	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0636	Androsterone glucuronide [(M+Cl)]- (13C+37Cl)	C2413CH38Cl037ClO8	505.234325	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ003109	GLMW 	C24H35N5O5S	505.2359	NA	PeJP	NA	NA
+PJ003110	TKEE 	C20H35N5O10	505.2384	NA	PeJP	NA	NA
+PJ003111	PKMM 	C21H39N5O5S2	505.2393	NA	PeJP	NA	NA
+PJ003112	VNHH 	C21H31N9O6	505.2398	NA	PeJP	NA	NA
+MJ074940	1-[2-[Tris(4-methoxyphenyl)methoxy]ethyl]-3-piperidinecarboxylic acid 	C30H35NO6	505.246437	NA	MeJP	NA	NA
+PJ003113	TTER 	C19H35N7O9	505.2496	NA	PeJP	NA	NA
+PJ003114	GGGSTK 	C19H35N7O9	505.2497	NA	PeJP	NA	NA
+PJ003115	GHHR 	C20H31N11O5	505.251	NA	PeJP	NA	NA
+PJ003116	STLW 	C24H35N5O7	505.2537	NA	PeJP	NA	NA
+PJ003117	VKEM 	C21H39N5O7S	505.257	NA	PeJP	NA	NA
+PJ003118	APRY 	C23H35N7O6	505.2649	NA	PeJP	NA	NA
+MJ074941	Antibiotic BR 040; 8-Me ether 	C27H39NO8	505.267567	NA	MeJP	NA	NA
+MJ074942	Siwanine A 	C27H39NO8	505.267567	NA	MeJP	NA	NA
+PJ003119	SLMR 	C20H39N7O6S	505.2683	NA	PeJP	NA	NA
+MJ074943	Capromorelin 	C28H35N5O4	505.268904	NA	MeJP	NA	NA
+PJ003120	SSSLL 	C21H39N5O9	505.2748	NA	PeJP	NA	NA
+PJ003121	PPHR 	C22H35N9O5	505.2761	NA	PeJP	NA	NA
+MJ074944	Dexamethasone; 21-(Diethylaminoacetyl) 	C28H40FNO6	505.283966	NA	MeJP	NA	NA
+PJ003122	GSSKK 	C20H39N7O8	505.286	NA	PeJP	NA	NA
+PJ003123	PVKY 	C25H39N5O6	505.2901	NA	PeJP	NA	NA
+2825	PEP inhibitor	LPPPPLPPLA	505.3005	MH2+	Inhouse_peptide	NA	peptide
+PJ003124	ALFR 	C24H39N7O5	505.3013	NA	PeJP	NA	NA
+MJ074945	Bicolorine; O1,O8-Di-Me, O6,O14-di-Ac 	C28H43NO7	505.303952	NA	MeJP	NA	NA
+PJ003125	CKKK 	C21H43N7O5S	505.3047	NA	PeJP	NA	NA
+HMDB11483	LysoPE(0:0/20:2(11Z,14Z))	C25H48NO7P	505.316833	NA	HMDB2010	NA	NA
+HMDB11513	LysoPE(20:2(11Z,14Z)/0:0)	C25H48NO7P	505.316833	NA	HMDB2010	NA	NA
+EUR661	Lyso PC 18:2 [M-H-CH3]-	C26H50NO7P	505.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR714	LysoPE(20:2) monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR869	Lyso PE 20:2 monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR661	Lyso PC 18:2 [M-H-CH3]-	C26H50NO7P	505.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR714	LysoPE(20:2) monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR869	Lyso PE 20:2 monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR661	Lyso PC 18:2 [M-H-CH3]-	C26H50NO7P	505.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR714	LysoPE(20:2) monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR869	Lyso PE 20:2 monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR661	Lyso PC 18:2 [M-H-CH3]-	C26H50NO7P	505.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR714	LysoPE(20:2) monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR869	Lyso PE 20:2 monoisotopic mass 	C25H48NO7P	505.316842	masses lipides attendues	Inhousejuil11	NA	NA
+MJ074946	Oteromycin; 4''-Hydroxy, 16,17-dihydro 	C32H43NO4	505.319208	NA	MeJP	NA	NA
+MJ074947	Oteromycin; Stereoisomer, 4''-hydroxy, 16,17-dihydro 	C32H43NO4	505.319208	NA	MeJP	NA	NA
+MJ074948	Terpendole D 	C32H43NO4	505.319208	NA	MeJP	NA	NA
+MJ074949	AAL Toxin; AAL Toxin TA1, 5-Deoxy 	C25H47NO9	505.325082	NA	MeJP	NA	NA
+MJ074950	AAL Toxin; AAL Toxin TA2, 5-Deoxy 	C25H47NO9	505.325082	NA	MeJP	NA	NA
+PJ003126	VLKF 	C26H43N5O5	505.3264	NA	PeJP	NA	NA
+C15684	Mycinamicin VIII	C29H47NO6	505.3403	NA	KEGG	NA	NA
+MJ074951	Cassaine; O-(3-Hydroxy-3-methylbutanoyl) 	C29H47NO6	505.340338	NA	MeJP	NA	NA
+MJ074952	Mycinamycin VI; 21-(Demycinosyloxy) 	C29H47NO6	505.340338	NA	MeJP	NA	NA
+HMDB10408	LysoPC(P-18:1(9Z))	C26H52NO6P	505.35321	NA	HMDB2010	NA	NA
+MJ074953	Phenalamide B 	C33H47NO3	505.355594	NA	MeJP	NA	NA
+MJ074954	Agel 505 	C26H47N7O3	505.374038	NA	MeJP	NA	NA
+FL5FFCNSS002	Gossypetin 7,8-dimethyl ether 3,3'-disulfate;2-[4-Hydroxy-3-(sulfooxy)phenyl]-5-hydroxy-7,8-dimethoxy-3-(sulfooxy)-4H-1-benzopyran-4-one	C17H14O14S2	505.98249	164163-87-5	knapsack	NA	NA
+MJ074955	3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 3,3'-di-O-sulfate 	C17H14O14S2	505.982496	NA	MeJP	NA	NA
+MJ074956	Viridomycin A 	C21H12FeN3O9	505.992296	NA	MeJP	NA	NA
+MJ074957	Dehydrotrigallic acid 	C21H14O15	506.033269	NA	MeJP	NA	NA
+MJ074958	Valoneaic acid 	C21H14O15	506.033269	NA	MeJP	NA	NA
+MJ074959	Cefditoren 	C19H18N6O5S3	506.050079	NA	MeJP	NA	NA
+MJ074960	?-Rubromycin; 9'-Deoxy 	C26H18O11	506.084911	NA	MeJP	NA	NA
+MJ074961	Nostocyclamide M 	C20H22N6O4S3	506.086465	NA	MeJP	NA	NA
+MJ074962	Tenuecyclamide C 	C20H22N6O4S3	506.086465	NA	MeJP	NA	NA
+MJ074963	4,4',5,5'-Tetrahydroxy-7,7-dimethyl-1,1'-bianthraquinone 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074964	4-[1,4-Dihydro-3-(1-methoxy-1-methylethyl)-1,4-dioxo-2-naphthalenyl]anthra[2,3-c]furan-1,3,5,10-tetrone 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074965	Asphodelin 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074966	Bi-(4'-O-3')-daidzein 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074967	Cassiamin C 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074968	Chrysotalunin 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074969	Kudzuisoflavone A 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074970	Kudzuisoflavone B 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074971	Microcarpin 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074972	Protohypericin 	C30H18O8	506.100167	NA	MeJP	NA	NA
+MJ074973	Siameanin 	C30H18O8	506.100167	NA	MeJP	NA	NA
+C10308	Cassiamin C	C30H18O8	506.1002	NA	KEGG	NA	NA
+MJ074974	Pinnaterpene A 	C22H36Br2O3	506.10312	NA	MeJP	NA	NA
+MJ074975	2',5,6',7,8-Pentahydroxyflavone; 7,8-Di-Me ether, 2'-O-?-D-glucuronoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074976	3',4',5,5',7-Pentahydroxyflavone; 3',4'-Di-Me ether, 7-O-?-D-glucuronopyranoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074977	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-?-D-Glucuronopyranoside, Me ester 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074978	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside, Me ester 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074979	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(2-O-Acetyl-?-L-rhamnopyranoside) 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074980	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(4-O-Acetyl-?-L-fucopyranoside) 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074981	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, Et ester 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074982	3,3',4',5,7-Pentahydroxyflavone; 7-Ac, 3'-O-?-D-glucopyranoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074983	3,4',5,6,7-Pentahydroxyflavone; 7-O-(Acetyl-?-D-glucopyranoside) 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074984	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074985	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-?-D-Glucuronopyranoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074986	Ellagic acid; 2,3,8-Tri-Me ether, 7-O-?-D-galactopyranoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074987	Ellagic acid; 2,3,8-Tri-Me ether, 7-O-?-D-glucopyranoside 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074988	Hyperin; 3''-Ac 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074989	Hyperin; 6''-Ac 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074990	Isobiflorin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074991	Isoquercitrin; 2''-Ac 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074992	Isoquercitrin; 6''-Ac 	C23H22O13	506.10604	NA	MeJP	NA	NA
+MJ074993	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-galactopyranoside) 	C23H23O13(+)	506.10604	NA	MeJP	NA	NA
+FL3FAIGS0006	Tricin 7-glucuronide	C23H22O13	506.10604	32769-02-1	knapsack	NA	NA
+FL3FAKGS0001	Tricetin 3',4'-dimethyl ether 7-glucuronide	C23H22O13	506.10604	107668-76-8	knapsack	NA	NA
+FL3FECGS0039	6-Methoxyluteolin 7-glucuronide methyl ester	C23H22O13	506.10604	82657-11-2	knapsack	NA	NA
+FL3FF8GS0007	5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide;3-Hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl beta-D-glucopyranosiduronic acid	C23H22O13	506.10604	133640-38-7	knapsack	NA	NA
+FL5FACGA0026	Quercetin 3-(3''-acetylgalactoside)	C23H22O13	506.10604	72659-76-8<BR>94799-72-1	knapsack	NA	NA
+FL5FACGA0027	Quercetin 3-(6''-acetylgalactoside)	C23H22O13	506.10604	94799-71-0	knapsack	NA	NA
+FL5FACGL0053	Quercetin 3-(6''-acetylglucoside)	C23H22O13	506.10604	54542-51-7	knapsack	NA	NA
+FL5FACGS0010	Quercetin 3-(6''-ethylglucuronide)	C23H22O13	506.10604	93753-28-7	knapsack	NA	NA
+FL5FACGS0059	Quercetin 3'-glucoside-7-acetate	C23H22O13	506.10604	-	knapsack	NA	NA
+FL5FACGS0093	Quercetin 3-(2''-acetylgalactoside);3-[(2-O-Acetyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C23H22O13	506.10604	439266-62-3	knapsack	NA	NA
+FL5FACGS0096	Quercetin 7-(6''-acetylglucoside);7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one	C23H22O13	506.10604	72659-74-6	knapsack	NA	NA
+FL5FAGGS0012	Myricetin 3-acetylrhamnoside;Myricetin 3-O-(4''-acetyl)-alpha-L-rhamnopyranoside	C23H22O13	506.10604	165127-26-4	knapsack	NA	NA
+FL5FAGGS0031	Myricetin 3-(2''-acetylrhamnoside);3-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C23H22O13	506.10604	244284-60-4	knapsack	NA	NA
+MJ074994	Antibiotic WS 79089B 	C27H22O10	506.121296	NA	MeJP	NA	NA
+MJ074995	Balsaminone A; O-?-D-Glucopyranoside 	C27H22O10	506.121296	NA	MeJP	NA	NA
+FL1C3CGS0014	Okanin 4-methyl ether 3'-(6''-acetylglucoside)	C24H26O12	506.14242	135618-13-2	knapsack	NA	NA
+FL1C3CGS0016	Okanin 4-methyl ether 4'-(6''-acetylglucoside)	C24H26O12	506.14242	142628-33-9	knapsack	NA	NA
+FL2FADGS0003	Viscumneoside VI	C24H26O12	506.14242	118985-26-5	knapsack	NA	NA
+FL3FCKGS0001	Lethedoside C;Tricetin 7,3',4'-trimethyl eter 5-glucoside;5-(beta-D-Glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C24H26O12	506.14242	221289-30-1	knapsack	NA	NA
+FL3FECGS0033	6-Hydroxyluteolin 6,7,3'-trimethyl ether 4'-glucoside	C24H26O12	506.14242	41087-97-2	knapsack	NA	NA
+FL3FEGGS0004	6-Hydroxytricetin 6,4',5'-trimethyl eter 3'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dimethoxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one	C24H26O12	506.14242	208662-61-7	knapsack	NA	NA
+FL3FGAGS0002	Nevadensin 5-glucoside;5-(beta-D-Glucopyranosyloxy)-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C24H26O12	506.14242	178405-54-4	knapsack	NA	NA
+FL3FGAGS0003	Nevadensin 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C24H26O12	506.14242	210837-37-9	knapsack	NA	NA
+FL3FGAGS0006	5,8-Dihydroxy-6,7,4'-trimethoxyflavone 8-glucoside;8-(beta-D-Glucopyranosyloxy)-5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C24H26O12	506.14242	343310-83-8	knapsack	NA	NA
+FL5FALGS0001	Morin 3,7,4'-trimethyl ether 2'-glucoside	C24H26O12	506.14242	71827-11-7	knapsack	NA	NA
+FL5FEAGA0005	Mikanin 3-galactoside	C24H26O12	506.14242	72945-44-9	knapsack	NA	NA
+FL5FEAGL0008	Candidol 3-glucoside	C24H26O12	506.14242	141304-80-5	knapsack	NA	NA
+FL5FEAGS0016	Pendulin	C24H26O12	506.14242	14801-84-4	knapsack	NA	NA
+FL5FECGS0026	Jaceidin 7-rhamnoside	C24H26O12	506.14242	63959-48-8	knapsack	NA	NA
+FLIAECGS0006	Junipegenin B 7-O-glucoside	C24H26O12	506.14242	86849-69-6	knapsack	NA	NA
+MJ074996	1,2,3,6,8-Pentahydroxy-7-methylanthraquinone; 1,2,3-Tri-Me ether, 6-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ074997	2',3,3',4,4'-Pentahydroxychalcone, 4'-Me ether, 4-O-(6-O-acetyl-?-D-glucopyranoside) 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ074998	2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 3'-O-(6-O-acetyl-?-D-glucopyranoside) 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ074999	2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 4'-O-(6-O-acetyl-?-D-glucopyranoside) 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075000	2',3,4',5,7-Pentahydroxyflavone; 3,4',7-Tri-Me ether, 2'-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075001	3',4',5,5',6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether, 5'-O-?-L-rhamnopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075002	3',4',5,5',7-Pentahydroxyflavone; 3',4',7-Tri-Me ether, 5-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075003	3',4',5,5',7-Pentahydroxyisoflavone; 3',4',7-Tri-Me ether, 5'-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075004	3',4',5,6,7-Pentahydroxyflavone; 3',6,7-Tri-Me ether, 4'-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075005	3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075006	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-(6-O-acetyl-?-D-glucopyranoside) 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075007	3,4',5,6,7-Pentahydroxyflavone; 3,6,7-Tri-Me ether, 4'-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075008	3,4',5,6,7-Pentahydroxyflavone; 4',6,7-Tri-Me ether, 3-O-?-D-galactopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075009	3,4',5,6,7-Pentahydroxyflavone; 5,6,7-Tri-Me ether, 3-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075010	3-(2-Acetyl-3,5-dihydroxybenzyl)-3,4-dihydro-6,8-dihydroxyisocoumarin; 3'-O-?-D-Glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075011	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(4-Hydroxy-E-cinnamoyl), 4'-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075012	4',5,6,7,8-Pentahydroxyflavone; 4',6,7-Tri-Me ether, 8-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075013	4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 5-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075014	4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075015	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-?-L-Rhamnopyranoside 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075016	Protogenkwanin; 4'-O-(2-O-Acetyl-?-D-glucopyranoside) 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075017	Protogenkwanin; 4'-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H26O12	506.142426	NA	MeJP	NA	NA
+MJ075018	Streptonigrin 	C25H22N4O8	506.143763	NA	MeJP	NA	NA
+C02081	Streptonigrin	C25H22N4O8	506.1438	NA	KEGG	NA	NA
+MJ075019	4-(Pentafluoroethyl)-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid 	C23H19F5N6O2	506.148964	NA	MeJP	NA	NA
+PJ003127	DDEE 	C18H26N4O13	506.1497	NA	PeJP	NA	NA
+MJ075020	2-Decarboxybetanidin; 5-O-?-D-Glucopyranoside 	C23H27N2O11(+)	506.153659	NA	MeJP	NA	NA
+MJ075021	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 9-Aldehyde, 3',5,5'-tri-Me ether, 9'-O-(4-hydroxybenzoyl) 	C28H26O9	506.157682	NA	MeJP	NA	NA
+MJ075022	?-[2-(4-Methoxyphenyl)-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]ethylidene]-1,3-benzodioxole-5-acetic acid 	C28H26O9	506.157682	NA	MeJP	NA	NA
+MJ075023	Pannellin 	C28H26O9	506.157682	NA	MeJP	NA	NA
+MJ075024	Rocaglatic acid; 4'-Demethoxy, 3',4'-methylenedioxy, Me ester 	C28H26O9	506.157682	NA	MeJP	NA	NA
+PJ003128	GSNDD 	C17H26N6O12	506.1609	NA	PeJP	NA	NA
+PJ003129	GPCCQ 	C18H30N6O7S2	506.1618	NA	PeJP	NA	NA
+MJ075025	2',4',6'-Trihydroxyacetophenone; 4'-Me ether, 2'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075026	2',4',6'-Trihydroxyacetophenone; 4'-Me ether, 2'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075027	2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, penta-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075028	2-O-?-D-Galactopyranosylglycerol; Hexa-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075029	3-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, penta-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075030	5-O-?-L-Arabinofuranosyl-L-arabinose; ?-Furanose-form, Me glycoside, penta-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075031	Allobetonicoside 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075032	D-glycero-D-galacto-Heptitol; Hepta-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075033	Gardoside; 2'-O-Apiofuranoside 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075034	Gonocaryoside B 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075035	Lamalbide; 6,7-Di-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075036	Lamiide; 7,8-Di-Ac 	C21H30O14	506.163555	NA	MeJP	NA	NA
+MJ075037	Swertiamarin; 6'-O-?-D-Xylopyranosyl 	C21H30O14	506.163555	NA	MeJP	NA	NA
+FL1CALGS0001	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside	C25H30O11	506.17881	256413-65-7	knapsack	NA	NA
+MJ075038	4,4',5,7-Tetrahydroxy-6-hydroxymethyl-8-methylflavan, 4-Ketone, 1'', 4-di-Me ether, 7-O-?-D-glucopyranoside 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075039	4,5-Epoxy-2,8,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 2,13,14-tri-Ac 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075040	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3'-Me ether, 5-O-?-D-glucopyranoside 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075041	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(2-Methylpropenoyl), 15-O-?-D-glucopyranoside 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075042	Brachycalyxolide 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075043	Cachineside IV; 5-Deoxy, 7-O-cinnamoyl 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075044	Diosbulbinoside D 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075045	Mussaenosidic acid; 2'-Cinnamoyl 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075046	Mussaenosidic acid; 8-O-Cinnamoyl(E-) 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075047	Stansioside; 8-Epimer, 2'-(4-hydroxycinnamoyl) 	C25H30O11	506.178811	NA	MeJP	NA	NA
+MJ075048	Tecomoside; 7-Cinnamoyl (E)- 	C25H30O11	506.178811	NA	MeJP	NA	NA
+PJ003130	NNEM 	C18H30N6O9S	506.1795	NA	PeJP	NA	NA
+MJ075049	1,6-Di-O-?-D-glucopyranosyl-D-mannitol 	C18H34O16	506.184685	NA	MeJP	NA	NA
+PJ003131	TEEE 	C19H30N4O12	506.186	NA	PeJP	NA	NA
+PJ003132	PEMM 	C20H34N4O7S2	506.1869	NA	PeJP	NA	NA
+PJ003133	CNDR 	C17H30N8O8S	506.1908	NA	PeJP	NA	NA
+FL1DA9NC0002	Piperaduncin B	C29H30O8	506.19406	155023-55-5	knapsack	NA	NA
+MJ075050	Binankadsurin A; 7-O-Benzoyl 	C29H30O8	506.194067	NA	MeJP	NA	NA
+MJ075051	Enrasentan 	C29H30O8	506.194067	NA	MeJP	NA	NA
+MJ075052	Isogomisin O; 3-O-De-Me, 7-benzoyl 	C29H30O8	506.194067	NA	MeJP	NA	NA
+MJ075053	Piperaduncin B 	C29H30O8	506.194067	NA	MeJP	NA	NA
+MJ075054	Rocaglatic acid; 8b-Me ether, Me ester 	C29H30O8	506.194067	NA	MeJP	NA	NA
+C09829	Piperaduncin B	C29H30O8	506.1941	NA	KEGG	NA	NA
+PJ003134	GNMW 	C22H30N6O6S	506.1948	NA	PeJP	NA	NA
+PJ003135	GSSQE 	C18H30N6O11	506.1973	NA	PeJP	NA	NA
+PJ003136	GPCCK 	C19H34N6O6S2	506.1982	NA	PeJP	NA	NA
+PJ003137	PDEF 	C23H30N4O9	506.2013	NA	PeJP	NA	NA
+PJ003138	VEEM 	C20H34N4O9S	506.2047	NA	PeJP	NA	NA
+MJ075055	Colabomycin D 	C28H30N2O7	506.205301	NA	MeJP	NA	NA
+MJ075056	Manumycin G 	C28H30N2O7	506.205301	NA	MeJP	NA	NA
+PJ003139	SSQW 	C22H30N6O8	506.2125	NA	PeJP	NA	NA
+MJ075057	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 9,14-di-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075058	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,6,8-tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075059	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,8,14-tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075060	15,16-Epoxy-12-hydroxy-7-oxo-3,13(16),14-clerodatrien-18,19-olide, 12-O-?-D-Glucopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075061	15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, ?-D-Glucopyranosyl ester 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075062	19-Acetoxycoleon Q; 12-De-Ac, 7-Ac, 3?-acetoxy 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075063	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(3-Methyl-2-butenoyl), 2,10,11-tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075064	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 4'-O-?-L-rhamnopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075065	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-L-rhamnopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075066	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-(3-O-methyl-?-L-rhamnopyranoside) 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075067	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-L-rhamnopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075068	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-L-rhamnopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075069	3,4:8,17-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; Tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075070	4,18:10,12:15,16-Triepoxy-13(16),14-clerodadiene-3,6,12,19-tetrol, 3,6,19-Tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075071	5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxymethyl-2E-butenoyl), 9-O-(2-methylbutanoyl), Me ester 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075072	5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2-Hydroxymethyl-2E-butenoyl), 8-(2-methylbutanoyl), Me ester 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075073	5,8,9-Trihydroxy-1(10),4(15),11(13)-germacratrien-12,6-olid-14-oic acid, 9-(2R,3R-Epoxy-2-methylbutanoyl), 8-(2-methylbutanoyl), Me ester 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075074	7,20-Epoxy-1,6,7,11,19-pentahydroxy-16-kauren-15-one, 1,11,19-Tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075075	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-(8-?-D-Glucopyranosyloxy-3,7-dimethyl-2,6-octadienyl) 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075076	8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 2,3,14-Tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075077	8,17-Epoxy-2,9,11,14-tetrahydroxy-5,12-briaradien-18,7-olide; 2,9,14-Tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075078	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,9,14-tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075079	8,17:11,20-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; Tri-Ac 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075080	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2,3-Epoxy-2-methylbutanoyl), 9-O-(3-hydroxy-2-methylbutanoyl), Me ester 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075081	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylbutanoyl), Me ester (1) 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075082	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-O-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-O-(2-methylbutanoyl), Me ester (2) 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075083	Havannahine 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075084	Helmanticin 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075085	Isolimonic acid 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075086	Nutanocoumarin; 7-O-?-D-Glucopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075087	Nutanocoumarin; 9'-O-?-D-Glucopyranoside 	C26H34O10	506.215197	NA	MeJP	NA	NA
+MJ075088	Shikokianoic acid; 6-Aldehyde, 11-Ac, 16?,17-epoxide 	C26H34O10	506.215197	NA	MeJP	NA	NA
+C01593	Limonoate	C26H34O10	506.2152	NA	KEGG	NA	NA
+PJ003140	NDKM 	C19H34N6O8S	506.2159	NA	PeJP	NA	NA
+PJ003141	PPMY 	C24H34N4O6S	506.2199	NA	PeJP	NA	NA
+MJ075089	Asperphenamate 	C32H30N2O4	506.220557	NA	MeJP	NA	NA
+MJ075090	Asterriquinone 	C32H30N2O4	506.220557	NA	MeJP	NA	NA
+MJ075091	Aurantiamide; O-Benzoyl 	C32H30N2O4	506.220557	NA	MeJP	NA	NA
+MJ075092	Hinnuliquinone 	C32H30N2O4	506.220557	NA	MeJP	NA	NA
+MJ075093	Isoasterriquinone 	C32H30N2O4	506.220557	NA	MeJP	NA	NA
+MJ075094	Neocochliodinol 	C32H30N2O4	506.220557	NA	MeJP	NA	NA
+PJ003142	VDHH 	C21H30N8O7	506.2238	NA	PeJP	NA	NA
+MJ075095	Antimycin A; Antimycin A4 	C25H34N2O9	506.22643	NA	MeJP	NA	NA
+PJ003143	SNMR 	C18H34N8O7S	506.2271	NA	PeJP	NA	NA
+MJ075096	Pyronaamidine; 9-(N-Methylimide) 	C26H30N6O5	506.227768	NA	MeJP	NA	NA
+PJ003144	GHFF 	C26H30N6O5	506.2278	NA	PeJP	NA	NA
+FL2FA9NC0013	Lumaflavanone C	C30H34O7	506.23045	424838-73-3	knapsack	NA	NA
+FL2FALNP0008	Flemichin E	C30H34O7	506.23045	72782-82-2	knapsack	NA	NA
+FL2FALNP0017	Exiguaflavanone H	C30H34O7	506.23045	156281-18-4	knapsack	NA	NA
+FL2FALNP0018	Exiguaflavanone I	C30H34O7	506.23045	156281-19-5	knapsack	NA	NA
+FL3FALNF0001	Artelastofuran;2-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-3,6-bis(3-methyl-2-butenyl)-4H-furo[2,3-h]-1-benzopyran-4-one	C30H34O7	506.23045	206271-04-7	knapsack	NA	NA
+FL3FALNI0017	Dorsilurin D;(+)-2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-3,6-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H34O7	506.23045	254101-16-1	knapsack	NA	NA
+FL3FALNP0016	Dorsilurin B;(-)-2-(2,4-Dihydroxyphenyl)-9,10-dihydro-5,9-dihydroxy-8,8-dimethyl-3,6-bis(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one	C30H34O7	506.23045	212071-81-3	knapsack	NA	NA
+FL3FRNNR0005	Artelastocarpin;6,7-Dihydro-3,9,11-trihydroxy-6-(1-hydroxy-1-methylethyl)-10,12-bis(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one	C30H34O7	506.23045	404956-32-7	knapsack	NA	NA
+FL4DRNNI0001	Sorocein F	C30H34O7	506.23045	163687-42-1	knapsack	NA	NA
+FL4DRNNI0002	Sorocein G	C30H34O7	506.23045	163633-92-9	knapsack	NA	NA
+FL4DRNNI0003	Sanggenol I	C30H34O7	506.23045	202526-54-3	knapsack	NA	NA
+FL4DRNNI0004	Sanggenol G	C30H34O7	506.23045	202526-52-1	knapsack	NA	NA
+FL4DRNNI0005	Sanggenol H	C30H34O7	506.23045	202526-53-2	knapsack	NA	NA
+FL5FACNI0003	Broussoflavonol C	C30H34O7	506.23045	104494-29-3	knapsack	NA	NA
+FL5FACNI0004	Broussoflavonol G	C30H34O7	506.23045	128341-11-7	knapsack	NA	NA
+FL5FACNI0007	Petalostemumol G;2-[3,4-Dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C30H34O7	506.23045	152253-69-5	knapsack	NA	NA
+FL5FACNP0003	Broussoflavonol E;2-[3,4-Dihydro-8-hydroxy-2,2-dimethyl-5-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-8-(1,1-dimethyl-2-propenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one	C30H34O7	506.23045	289621-75-6	knapsack	NA	NA
+MJ075097	1?,10?-Dihydrolactucin 8-O-isohypoglabrate 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075098	2',4',5,7-Tetrahydroxy-3,6,8-triprenylflavone; ?3'''-Isomer, 2'''?-hydroxy 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075099	2,3-Dihydro-5,7-dihydroxy-8-[1-(2-hydroxy-4-methoxy-3,3,5-trimethyl-6-oxo-1,4-cyclohexadien-1-yl)-2-methylpropyl]-6-methyl-2-phenyl-4H-1-benzopyran-4-one 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075100	3,3',4',5,7-Pentahydroxy-2',6',8-triprenylflavone 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075101	3,3',4',5,7-Pentahydroxy-5',6',8-triprenylflavone 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075102	Artelastinin 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075103	Artelastofuran 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075104	Artonin H 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075105	Broussoflavonol C 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075106	Broussoflavonol D; 7',8'-Dihydro 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075107	Dorsilurin B 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075108	Exiguaflavanone H 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075109	Exiguaflavanone I 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075110	Flemichin C 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075111	Flemichin E 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075112	Hydroxybisdihydroencelin 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075113	Lactucin 8-O-hypoglabrate; 11?,13-Dihydro 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075114	Ornativolide 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075115	Sanggenol G 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075116	Sanggenol H 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075117	Sanggenol I 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075118	Sorocein F 	C30H34O7	506.230453	NA	MeJP	NA	NA
+MJ075119	Sorocein G 	C30H34O7	506.230453	NA	MeJP	NA	NA
+PJ003145	ACKW 	C23H34N6O5S	506.2312	NA	PeJP	NA	NA
+PJ003146	GSSKE 	C19H34N6O10	506.2337	NA	PeJP	NA	NA
+PJ003147	PVEY 	C24H34N4O8	506.2377	NA	PeJP	NA	NA
+MJ075120	6-Chloro-4,5,20-trihydroxy-1-oxowitha-2,24-dienolide 	C28H39ClO6	506.243516	NA	MeJP	NA	NA
+MJ075121	6-Chloro-4,5,27-trihydroxy-1-oxowitha-2,24-dienolide 	C28H39ClO6	506.243516	NA	MeJP	NA	NA
+MJ075122	Deacylcylindrol; 5-Chloro, 4'-(3-methylbutanoyl) 	C28H39ClO6	506.243516	NA	MeJP	NA	NA
+PJ003148	GSSTR 	C18H34N8O9	506.2449	NA	PeJP	NA	NA
+PJ003149	SSKW 	C23H34N6O7	506.2489	NA	PeJP	NA	NA
+MJ075123	18,19-Epoxy-2,6,18,19-tetrahydroxy-15-nor-3,12-clerodadien-14-al, 2-(Methylpropanoyl), 18,19-di-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+MJ075124	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-1,6,19-triol, 14,15-Dihydro, 19-tigloyl, 6-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+MJ075125	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-Tigloyl, 6-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+MJ075126	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 2-O-(2-Methylbutanoyl), 8-O-angeloyl, 11-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+MJ075127	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-Tigloyl, 19-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+MJ075128	4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-Tigloyl, 19-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+MJ075129	Ingol; O8-Me, 3,7,12-tri-Ac 	C27H38O9	506.251582	NA	MeJP	NA	NA
+HMDB10364	11-Hydroxyprogesterone 11-glucuronide	C27H38O9	506.251587	NA	HMDB2010	NA	NA
+PJ003150	TQKM 	C20H38N6O7S	506.2523	NA	PeJP	NA	NA
+PJ003151	PPFF 	C28H34N4O5	506.2529	NA	PeJP	NA	NA
+PJ003152	PLMF 	C25H38N4O5S	506.2563	NA	PeJP	NA	NA
+PJ003153	LLMM 	C22H42N4O5S2	506.2597	NA	PeJP	NA	NA
+PJ003154	GQFR 	C22H34N8O6	506.2602	NA	PeJP	NA	NA
+PJ003155	TCKR 	C19H38N8O6S	506.2635	NA	PeJP	NA	NA
+FL2FADNI0002	Amoritin	C31H38O6	506.26683	83474-68-4	knapsack	NA	NA
+FL2FAENI0003	Isoamoritin;5,7,3'-Trihydroxy-4'-methoxy-6,8,5'-triprenylflavanone	C31H38O6	506.26683	212069-24-4	knapsack	NA	NA
+MJ075130	3',4',5,7-Tetrahydroxy-5',6,8-triprenylflavanone, 3'-Me ether 	C31H38O6	506.266838	NA	MeJP	NA	NA
+MJ075131	3',4',5,7-Tetrahydroxy-5',6,8-triprenylflavanone, 4'-Me ether 	C31H38O6	506.266838	NA	MeJP	NA	NA
+MJ075132	1,1-Bis(8,9-epoxy-6,8-dimethylergoline) 	C32H34N4O2	506.268176	NA	MeJP	NA	NA
+PJ003156	GTTTK 	C20H38N6O9	506.27	NA	PeJP	NA	NA
+MJ075133	7-Megastigmene-3,9-diol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H42O11	506.272712	NA	MeJP	NA	NA
+MJ075134	7-Megastigmene-3,9-diol, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H42O11	506.272712	NA	MeJP	NA	NA
+PJ003157	VLEF 	C25H38N4O7	506.2741	NA	PeJP	NA	NA
+MJ075135	Marine Streptomyces C30H38N2O5 lactam 	C30H38N2O5	506.278072	NA	MeJP	NA	NA
+PJ003158	VNKF 	C24H38N6O6	506.2853	NA	PeJP	NA	NA
+MJ075136	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 18-Et ether, 7-butanoyl, 19-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075137	2,6,10,14-Phytatetraene-1,8,12,18-tetrol, Tetra-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075138	2,7-Dolabelladiene-5,6,10,18-tetrol, Tetra-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075139	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 11-Butanoyl, 4,6-di-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075140	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(2-Hydroxy-3-methylbutanoyl), 11-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075141	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075142	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 5?,6?-Epoxide, 12-(3,4-dimethyl-2E-pentenoyl) 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075143	3,8,14-Trihydroxypregn-5-en-18,20-olide, 3-O-Diginopyranoside 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075144	4,5,6,19,27-Pentahydroxy-1-oxowith-24-enolide 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075145	5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075146	Baconipyrone B 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075147	Baconipyrone D 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075148	Cyasterone; 29-Demethyl 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075149	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Tigloyl, 20-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075150	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Tigloyl, 12-Ac 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075151	Siphonarin A 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075152	Soraphen A; 10-O-De-Me 	C28H42O8	506.287968	NA	MeJP	NA	NA
+MJ075153	Soraphen A; 11-O-De-Me 	C28H42O8	506.287968	NA	MeJP	NA	NA
+PJ003159	TKKM 	C21H42N6O6S	506.2887	NA	PeJP	NA	NA
+C10009	Mucronine A	C29H38N4O4	506.2893	NA	KEGG	NA	NA
+MJ075154	Aphelandrine, 17,18-Diepimer, Me ether 	C29H38N4O4	506.289305	NA	MeJP	NA	NA
+MJ075155	Chaenorpine; Me ether 	C29H38N4O4	506.289305	NA	MeJP	NA	NA
+MJ075156	Mucronine A 	C29H38N4O4	506.289305	NA	MeJP	NA	NA
+PJ003160	GKFR 	C23H38N8O5	506.2965	NA	PeJP	NA	NA
+MJ075157	3,12-Dioxo-13,15,17(20),22,24-isomalabaricapentaen-26,22-olide, 3?-Alcohol, 3-Ac 	C32H42O5	506.303224	NA	MeJP	NA	NA
+MJ075158	Petrosynol; 3-Ac 	C32H42O5	506.303224	NA	MeJP	NA	NA
+MJ075159	Rakicidin C 	C26H42N4O6	506.310435	NA	MeJP	NA	NA
+PJ003161	VLLY 	C26H42N4O6	506.3105	NA	PeJP	NA	NA
+MJ075160	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(14-Methylpentadecanoyl) 	C31H42N2O4	506.314457	NA	MeJP	NA	NA
+MJ075161	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-Hexadecanoyl 	C31H42N2O4	506.314457	NA	MeJP	NA	NA
+MJ075162	Antibiotic WA 3854; Antibiotic WA 3854C 	C25H42N6O5	506.321668	NA	MeJP	NA	NA
+MJ075163	2,3,14,20,22,29-Hexahydroxystigmasta-7,24(28)-dien-6-one 	C29H46O7	506.324353	NA	MeJP	NA	NA
+MJ075164	2,3,16,17-Phyllocladanetetrol, 2-(3-Methylbutanoyl), 3,17-di-Ac 	C29H46O7	506.324353	NA	MeJP	NA	NA
+MJ075165	8,13-Labdadiene-2,6,7,15-tetrol, 6-O-(3-Methylbutanoyl), 2,7-di-Ac 	C29H46O7	506.324353	NA	MeJP	NA	NA
+MJ075166	Ajugasterone B 	C29H46O7	506.324353	NA	MeJP	NA	NA
+MJ075167	Esterastin 	C28H46N2O6	506.335587	NA	MeJP	NA	NA
+MJ075168	3,20-Diaminopregn-2-en-4-ol, N20,N20-Di-Me, N3-benzoyl, 4-Ac 	C32H46N2O3	506.350843	NA	MeJP	NA	NA
+MJ075169	Culantraramine, N-Oxide 	C32H46N2O3	506.350843	NA	MeJP	NA	NA
+MJ075170	1,3,24,25-Tetrahydroxycycloartan-28-oic acid 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075171	11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 13?,17?-Epoxide 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075172	12-Oleanene-2,3,16,21,22,28-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075173	12-Oleanene-3,15,16,21,22,28-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075174	12-Oleanene-3,16,21,22,23,28-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075175	12-Oleanene-3,16,21,22,24,28-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075176	12-Oleanene-3,16,21,22,28,29-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075177	12-Oleanene-3,6,7,16,23,28-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075178	12-Oleanene-3,7,15,16,27,28-hexol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075179	13,28-Epoxy-3,16,22,23,28-oleananepentol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075180	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 23,24-Dihydro 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075181	20,24-Epoxycycloartane-3,12,15,16,25-pentol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075182	20,24-Epoxycycloartane-3,15,16,18,25-pentol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075183	22,24,25,28-Tetrahydroxy-24-(hydroxymethyl)-29-norcycloartan-3-one 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075184	3,19-Epoxydammar-20(22)-ene-3,11,23,24,25-pentol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075185	3,4,5,25-Tetrahydroxyergostan-6-one, 25-Ac 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075186	6,11,16,24,25-Pentahydroxycycloartan-3-one 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075187	Crustulinol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075188	Ergost-24(28)-ene-1,3,5,6,11-pentol, 11-Ac 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075189	Muzitone 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075190	Neviotine A 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075191	Sodwanone F 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075192	Sodwanone L 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075193	Toosendanpentol 	C30H50O6	506.360739	NA	MeJP	NA	NA
+MJ075194	18,30-Tetratriacontadiene-2,4,12,33-tetrayne-1,6,32-triol 	C34H50O3	506.375995	NA	MeJP	NA	NA
+MJ075195	Cycloprotobuxoline I; N3-Benzoyl, N3,N20-di-Me 	C33H50N2O2	506.387228	NA	MeJP	NA	NA
+MJ075196	20,24-Epoxy-4,25-dihydroxy-3,4-secodammaran-3-oic acid, Me ester 	C31H54O5	506.397124	NA	MeJP	NA	NA
+MJ075197	1,9-Heptadecadiene-4,6-diyn-3-ol, (Z,Z)-(9,12-Octadecadienoyl) 	C35H54O2	506.41238	NA	MeJP	NA	NA
+MJ075198	Hopromine 	C30H58N4O2	506.455977	NA	MeJP	NA	NA
+MJ075199	Cyclostellettamine; Cyclostellettamine B 	C35H58N2	506.459999	NA	MeJP	NA	NA
+MJ075200	30-Methyl-28-oxo-29-dotriacontenoic acid 	C33H62O3	506.469895	NA	MeJP	NA	NA
+MJ075201	5-Hydroxy-12,14-tritriacontanedione, 5-Ketone 	C33H62O3	506.469895	NA	MeJP	NA	NA
+MJ075202	11-Oxotetratriacontanal 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075203	13-Oxotetratriacontanal 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075204	15-Oxotetratriacontanal 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075205	17-Oxotetratriacontanal 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075206	3-(13,17,21-Dotriacontatrienyl)-5-methyl-2(5H)-furanone, 23,24-Dihydro 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075207	7-Oxotetratriacontanal 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075208	9-Oxotetratriacontanal 	C34H66O2	506.506281	NA	MeJP	NA	NA
+MJ075209	1-Pentatriaconten-17-ol 	C35H70O	506.542666	NA	MeJP	NA	NA
+MJ075210	3-Pentatriacontanone 	C35H70O	506.542666	NA	MeJP	NA	NA
+MJ075211	4-Pentatriacontanone 	C35H70O	506.542666	NA	MeJP	NA	NA
+MJ075212	5-Pentatriacontanone 	C35H70O	506.542666	NA	MeJP	NA	NA
+MJ075213	6-Pentatriacontanone 	C35H70O	506.542666	NA	MeJP	NA	NA
+C00053	3'-Phosphoadenylyl sulfate	C10H15N5O13P2S	506.9862	NA	KEGG	NA	NA
+C03568	2'-Phosphoadenylylsulfate	C10H15N5O13P2S	506.9862	NA	KEGG	NA	NA
+MJ075214	3'-Phosphoadenylylsulfate 	C10H15N5O13P2S	506.986229	NA	MeJP	NA	NA
+MetaCyc03746	3'-phosphoadenylyl-sulfate [PAPS;phosphoadenosine phosphosulfate;3'-phosphoadenosine-5'-phosphosulfate;5-phosphoadenosine 3-phosphosulfate;]	C10H15N5O13P2S1	506.986229	482-67-7	metacyc	NA	NA
+HMDB01134	Phosphoadenosine phosphosulfate	C10H15N5O13P2S	506.986237	NA	HMDB2010	NA	NA
+HMDB01134	Phosphoadenosine phosphosulfate	C10H15N5O13P2S	506.98624	http://www.hmdb.ca/metabolites/HMDB01134	HMDB	NA	NA
+HMDB01134	Phosphoadenosine phosphosulfate	C10H15N5O13P2S	506.98624	HMDB01134	PFEM_hmdb_metabocards_official	NA	NA
+C00002	ATP	C10H16N5O13P3	506.9957	NA	KEGG	NA	NA
+C00286	dGTP	C10H16N5O13P3	506.9957	NA	KEGG	NA	NA
+C00287	Ester	CO2R2	506.9957	NA	KEGG	NA	NA
+MJ075215	Adenosine triphosphate 	C10H16N5O13P3	506.995745	NA	MeJP	NA	NA
+MJ075216	ATP 	C10H16N5O13P3	506.995745	NA	MeJP	NA	NA
+MJ075217	dGTP 	C10H16N5O13P3	506.995745	NA	MeJP	NA	NA
+MetaCyc03747	ATP [adenylpyrophosphate;adenosine-triphosphate;adenosine-5'-triphosphate;]	C10H16N5O13P3	506.995745	56-65-5	metacyc	NA	NA
+MetaCyc03748	dGTP [2'-deoxyguanosine-5'-triphosphate;deoxy-GTP;deoxyguanosine-triphosphate;]	C10H16N5O13P3	506.995745	2564-35-4	metacyc	NA	NA
+MetaCyc03749	2-hydroxydeoxyadenosine 5'-triphosphate []	C10H16N5O13P3	506.995745	NA	metacyc	NA	NA
+HMDB00538	Adenosine triphosphate	C10H16N5O13P3	506.995758	NA	HMDB2010	NA	NA
+HMDB01440	dGTP	C10H16N5O13P3	506.995758	NA	HMDB2010	NA	NA
+HMDB00538	Adenosine triphosphate	C10H16N5O13P3	506.99576	http://www.hmdb.ca/metabolites/HMDB00538	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01440	dGTP	C10H16N5O13P3	506.99576	http://www.hmdb.ca/metabolites/HMDB01440	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00538	Adenosine triphosphate	C10H16N5O13P3	506.99576	http://www.hmdb.ca/metabolites/HMDB00538	HMDB	NA	NA
+HMDB01440	dGTP	C10H16N5O13P3	506.99576	http://www.hmdb.ca/metabolites/HMDB01440	HMDB	NA	NA
+HMDB00538	Adenosine triphosphate	C10H16N5O13P3	506.99576	http://www.hmdb.ca/metabolites/HMDB00538	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01440	dGTP	C10H16N5O13P3	506.99576	http://www.hmdb.ca/metabolites/HMDB01440	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00538	Adenosine triphosphate	C10H16N5O13P3	506.99576	HMDB00538	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01440	dGTP	C10H16N5O13P3	506.99576	HMDB01440	PFEM_hmdb_metabocards_official	NA	NA
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	NA	506.996275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	NA	506.996275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	NA	506.996275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR311	Nicotinamide adénine di nucléotide phosphate F4	F4	506.996275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	NA	506.996275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR311	Nicotinamide adenine di nucleotide phosphate F4	F4	506.996275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ075218	Aplysinamisine II 	C16H23Br2N5O4	507.011679	NA	MeJP	NA	NA
+MJ075219	Tubulozole 	C23H23Cl2N3O4S	507.078632	NA	MeJP	NA	NA
+MJ075220	8-(Methylthio)-3-oxooctyl glucosinolate; S-Oxide 	C16H29NO11S3	507.090272	NA	MeJP	NA	NA
+FL7AAGGA0017	Delphinidin 3-(6-O-acetylgalactoside)	C23H23O13	507.11386	197250-29-6	knapsack	NA	NA
+FL7AAGGL0015	Delphinidin 3-(6''-acetylglucoside)	C23H23O13	507.11386	129031-46-5<BR>122711-00-6<BR>66594-00-1	knapsack	NA	NA
+MJ075221	9-(Methylthio)nonyl glucosinolate; S-Oxide 	C17H33NO10S3	507.126658	NA	MeJP	NA	NA
+C17272	Glucoarabin	C17H33NO10S3	507.1267	NA	KEGG	NA	NA
+MJ075222	Polyoxin B 	C17H25N5O13	507.144885	NA	MeJP	NA	NA
+C06692	Polyoxin B	C17H25N5O13	507.1449	NA	KEGG	NA	NA
+PJ003162	GSDDD 	C17H25N5O13	507.1449	NA	PeJP	NA	NA
+PJ003163	GPCCE 	C18H29N5O8S2	507.1458	NA	PeJP	NA	NA
+MJ075223	Antibiotic FR 901537 	C23H29N3O6S2	507.149777	NA	MeJP	NA	NA
+FL7ACIGL0003	Hirsutidin 3-glucoside	C24H27O12	507.15025	89418-84-8	knapsack	NA	NA
+MJ075224	Aureonuclemycin; O4-Tigloyl 	C21H25N5O10	507.160142	NA	MeJP	NA	NA
+PJ003164	PCCW 	C22H29N5O5S2	507.161	NA	PeJP	NA	NA
+PJ003165	NDEM 	C18H29N5O10S	507.1635	NA	PeJP	NA	NA
+PJ003166	CDDR 	C17H29N7O9S	507.1748	NA	PeJP	NA	NA
+MJ075225	Naamidine F 	C25H25N5O7	507.175398	NA	MeJP	NA	NA
+PJ003167	GDMW 	C22H29N5O7S	507.1788	NA	PeJP	NA	NA
+PJ003168	GSSEE 	C18H29N5O12	507.1813	NA	PeJP	NA	NA
+PJ003169	GPTCM 	C19H33N5O7S2	507.1822	NA	PeJP	NA	NA
+7945	Antioxidative peptide	YYY	507.189	antioxidative	Inhouse_peptide	NA	peptide
+MJ075226	Brasiliquinone B; 8-O-(3-Acetamido-2,3,6-trideoxy-?-L-ribo-hexopyranoside) 	C28H29NO8	507.189316	NA	MeJP	NA	NA
+MJ075227	Ravidomycin; N-De-Me, O-de-Ac 	C28H29NO8	507.189316	NA	MeJP	NA	NA
+MJ075228	Rocaglatic acid; 3'-Hydroxy, methylamide 	C28H29NO8	507.189316	NA	MeJP	NA	NA
+PJ003170	SSSNN 	C17H29N7O11	507.1925	NA	PeJP	NA	NA
+PJ003171	SSEW 	C22H29N5O9	507.1965	NA	PeJP	NA	NA
+PJ003172	GGPDY 	C22H29N5O9	507.1966	NA	PeJP	NA	NA
+PJ003173	TQEM 	C19H33N5O9S	507.1999	NA	PeJP	NA	NA
+PJ003174	YYY 	C27H29N3O7	507.2006	NA	PeJP	NA	NA
+MJ075229	2-(Diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-5-(phenylmethoxy)-3-isoquinolinecarboxylic acid 	C32H29NO5	507.204573	NA	MeJP	NA	NA
+PJ003175	NNNF 	C21H29N7O8	507.2078	NA	PeJP	NA	NA
+PJ003176	SDMR 	C18H33N7O8S	507.2112	NA	PeJP	NA	NA
+PJ003177	ATMW 	C23H33N5O6S	507.2152	NA	PeJP	NA	NA
+C07956	Fluphenazine depot	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07957	Transferred to D00794	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07958	Transferred to D00795	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07959	Transferred to D00796	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07960	Transferred to D00797	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07961	Transferred to D00798	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07962	Transferred to D00799	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+C07963	Transferred to D00800	C26H32F3N3O2S	507.2167	NA	KEGG	NA	NA
+MJ075230	Oxaflumazine 	C26H32F3N3O2S	507.216732	NA	MeJP	NA	NA
+PJ003178	GTTTE 	C19H33N5O11	507.2177	NA	PeJP	NA	NA
+PJ003179	VQMM 	C20H37N5O6S2	507.2185	NA	PeJP	NA	NA
+PJ003180	GGLMM 	C20H37N5O6S2	507.2186	NA	PeJP	NA	NA
+PJ003181	SQHH 	C20H29N9O7	507.219	NA	PeJP	NA	NA
+MJ075231	Faurine 	C29H33NO7	507.225702	NA	MeJP	NA	NA
+PJ003182	AMMR 	C19H37N7O5S2	507.2298	NA	PeJP	NA	NA
+PJ003183	TTTW 	C23H33N5O8	507.2329	NA	PeJP	NA	NA
+PJ003184	TKEM 	C20H37N5O8S	507.2363	NA	PeJP	NA	NA
+MJ075232	Cadabicine; 4-Methoxy, N14-Ac 	C28H33N3O6	507.236935	NA	MeJP	NA	NA
+MJ075233	Capparisine; N15-Ac 	C28H33N3O6	507.236935	NA	MeJP	NA	NA
+MJ075234	Paraherquamide A; 16-Oxo 	C28H33N3O6	507.236935	NA	MeJP	NA	NA
+PJ003185	GEFR 	C22H33N7O7	507.2442	NA	PeJP	NA	NA
+MJ075235	Icospiramide 	C28H31F2N5O2	507.244581	NA	MeJP	NA	NA
+MJ075236	Lupinine, O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] 	C26H37NO9	507.246831	NA	MeJP	NA	NA
+MJ075237	Ryanodine; 10-Epimer, 8?-hydroxy, 4-deoxy, 10-Me ether 	C26H37NO9	507.246831	NA	MeJP	NA	NA
+PJ003186	TTMR 	C19H37N7O7S	507.2475	NA	PeJP	NA	NA
+PJ003187	GVFW 	C27H33N5O5	507.2482	NA	PeJP	NA	NA
+3578	NA	IQSQPQAFP	507.2495	MH2+	Inhouse_peptide	NA	peptide
+PJ003188	SSTTL 	C20H37N5O10	507.2541	NA	PeJP	NA	NA
+PJ003189	VKMM 	C21H41N5O5S2	507.2549	NA	PeJP	NA	NA
+PJ003190	SKHH 	C21H33N9O6	507.2554	NA	PeJP	NA	NA
+PJ003191	FRW 	C26H33N7O4	507.2594	NA	PeJP	NA	NA
+2886	NA	EIEQKQLQ	507.26	MH2+	Inhouse_peptide	NA	peptide
+MJ075238	Cytochalasin C 	C30H37NO6	507.262087	NA	MeJP	NA	NA
+MJ075239	Cytochalasin M 	C30H37NO6	507.262087	NA	MeJP	NA	NA
+MJ075240	Cytochalasin Q 	C30H37NO6	507.262087	NA	MeJP	NA	NA
+MJ075241	Himandrine 	C30H37NO6	507.262087	NA	MeJP	NA	NA
+MJ075242	Yesonine; O15-(3,4-Dimethoxybenzoyl) 	C30H37NO6	507.262087	NA	MeJP	NA	NA
+MJ075243	Zygosporin D; 21-Ac 	C30H37NO6	507.262087	NA	MeJP	NA	NA
+MJ075244	Epothilone B 	C27H41NO6S	507.265458	NA	MeJP	NA	NA
+C12154	Epothilone B	C27H41NO6S	507.2655	NA	KEGG	NA	NA
+3343	ACE inhibitor	ALPHA	507.268	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003192	PTKY 	C24H37N5O7	507.2693	NA	PeJP	NA	NA
+MJ075245	Fosinoprilat 	C27H42NO6P	507.274974	NA	MeJP	NA	NA
+MJ075246	ACE inhibitor peptide C 107 	C23H37N7O6	507.280531	NA	MeJP	NA	NA
+PJ003193	GLRY 	C23H37N7O6	507.2806	NA	PeJP	NA	NA
+C08679	Deltaline	C27H41NO8	507.2832	NA	KEGG	NA	NA
+MJ075247	Antibiotic FR 901465; 2-Deoxy 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075248	Delcorine; N-De-Et, N-Me, 6-Ac 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075249	Dictyocarpinine; 14-Me ether, 6-Ac 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075250	Dorrigocin A 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075251	Dorrigocin B 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075252	Neoline; O16-De-Me, 8,14-di-Ac 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075253	Neoline; O18-De-Me, 8,14-di-Ac 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075254	Pictumine 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+MJ075255	Senbusine A; 8,14-Di-Ac 	C27H41NO8	507.283217	NA	MeJP	NA	NA
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR457	Dehydrotestosterone glucuronide F2	NA	507.283875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR457	Dehydrotestosterone glucuronide F2	NA	507.283875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR457	Dehydrotestosterone glucuronide F2	NA	507.283875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR457	Déhydrotestostérone glucuronide F2	F2	507.283875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR457	Dehydrotestosterone glucuronide F2	NA	507.283875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR457	Dehydrotestosterone glucuronide F2	F2	507.283875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ003194	PVHR 	C22H37N9O5	507.2918	NA	PeJP	NA	NA
+MJ075256	Broussonetinine A; 10'-Deoxo, 9'-oxo, 3-O-?-D-glucopyranoside 	C24H45NO10	507.304346	NA	MeJP	NA	NA
+MJ075257	Broussonetinine A; 3-O-?-D-Glucopyranoside 	C24H45NO10	507.304346	NA	MeJP	NA	NA
+PJ003195	VVKY 	C25H41N5O6	507.3057	NA	PeJP	NA	NA
+MJ075258	1,1a,2,4,4a,5,5a,6,6a,7,8,8a-Dodecahydro-2aH-3-thia-4-azacyclopenta[mno]pentaleno[2,1,6,5-fghi]aceanthrylene-2a-carboxylic acid; 3,5,8-Trimethyldecyl ester 	C32H45NO2S	507.3171	NA	MeJP	NA	NA
+MJ075259	Dihydrogadesine; O1-Me, O14-(2-methylpropanoyl) 	C28H45NO7	507.319602	NA	MeJP	NA	NA
+HMDB11482	LysoPE(0:0/20:1(11Z))	C25H50NO7P	507.332489	NA	HMDB2010	NA	NA
+HMDB11512	LysoPE(20:1(11Z)/0:0)	C25H50NO7P	507.332489	NA	HMDB2010	NA	NA
+EUR666	Lyso PC 18:1 [M-H-CH3]-	C26H52NO7P	507.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR709	LysoPE (20:1) monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR864	Lyso PE 20:1 monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR666	Lyso PC 18:1 [M-H-CH3]-	C26H52NO7P	507.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR709	LysoPE (20:1) monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR864	Lyso PE 20:1 monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR666	Lyso PC 18:1 [M-H-CH3]-	C26H52NO7P	507.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR709	LysoPE (20:1) monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR864	Lyso PE 20:1 monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR666	Lyso PC 18:1 [M-H-CH3]-	C26H52NO7P	507.332492	masses lipides attendues	Inhousejuil11	NA	NA
+EUR709	LysoPE (20:1) monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	Inhousejuil11	NA	NA
+EUR864	Lyso PE 20:1 monoisotopic mass 	C25H50NO7P	507.332492	masses lipides attendues	Inhousejuil11	NA	NA
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR528	18 :1 Lyso PC F3	NA	507.332925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR528	18 :1 Lyso PC F3	NA	507.332925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR528	18 :1 Lyso PC F3	NA	507.332925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR528	18 :1 Lyso PC F3	NA	507.332925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR528	18 :1 Lyso PC F3	F3	507.332925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ075260	Indanomycin; Homologue (R = CH2CH3) 	C32H45NO4	507.334858	NA	MeJP	NA	NA
+MJ075261	Phenalamide A1; 10?,11?-Epoxide (6E-) 	C32H45NO4	507.334858	NA	MeJP	NA	NA
+MJ075262	20-Aminopregn-5-en-3-ol, N-Di-Me, O-?-D-glucopyranoside 	C29H49NO6	507.355988	NA	MeJP	NA	NA
+MJ075263	Amphiasterin C2 	C29H49NO6	507.355988	NA	MeJP	NA	NA
+MJ075264	Cassaidine; 3-O-(3-Hydroxy-3-methylbutanoyl) 	C29H49NO6	507.355988	NA	MeJP	NA	NA
+MJ075265	Sphingomyelin 	C25H52N2O6P	507.356298	NA	MeJP	NA	NA
+HMDB13122	LysoPC(P-18:0)	C26H54NO6P	507.368866	NA	HMDB2010	NA	NA
+MJ075266	1-(11-Octadecenyl)glycero-3-phosphocholine 	C26H54NO6P	507.368874	NA	MeJP	NA	NA
+8327	Antiinflammatory peptide	KGHYAERVG	507.7525	MH2+	Inhouse_peptide	NA	peptide
+7736	Led-NPF-I	APSLRLRFG	507.79	MH2+	Inhouse_peptide	NA	peptide
+MJ075267	Bis(thiosulfato)aurate(I)(3-); Tri-Na salt, monohydrate 	AuH2Na3O7S4	507.804195	NA	MeJP	NA	NA
+MJ075268	Amathamide E; N-Me 	C16H19Br3N2O2	507.899665	NA	MeJP	NA	NA
+MJ075269	Dichlorobis(dimethylsulfoxide-S)(1,10-phenanthroline-N1,N10)ruthenium(II) 	C16H20Cl2N2O2RuS2	507.938674	NA	MeJP	NA	NA
+MJ075270	Soluarsphenamine 	C18H18As2N2O6	507.959679	NA	MeJP	NA	NA
+MJ075271	ITP 	C10H15N4O14P3	507.97976	NA	MeJP	NA	NA
+MetaCyc03750	ITP [inosine triphosphate;]	C10H15N4O14P3	507.979761	132-06-9	metacyc	NA	NA
+HMDB00189	Inosine triphosphate	C10H15N4O14P3	507.979767	NA	HMDB2010	NA	NA
+HMDB00189	Inosine triphosphate	C10H15N4O14P3	507.97977	http://www.hmdb.ca/metabolites/HMDB00189	HMDB	NA	NA
+HMDB00189	Inosine triphosphate	C10H15N4O14P3	507.97977	HMDB00189	PFEM_hmdb_metabocards_official	NA	NA
+C00081	ITP	C10H15N4O14P3	507.9798	NA	KEGG	NA	NA
+C01348	dXTP	C10H15N4O14P3	507.9798	NA	KEGG	NA	NA
+MJ075272	Viridomycin A; Monoalcohol 	C21H14FeN3O9	508.007946	NA	MeJP	NA	NA
+MJ075273	Fringelite F; 10,11-Dihydroxy 	C28H12O10	508.043046	NA	MeJP	NA	NA
+MJ075274	6-Demethyltetracycline; 7-Bromo 	C21H21BrN2O8	508.048128	NA	MeJP	NA	NA
+MJ075275	Griseorhodin A 	C25H16O12	508.064175	NA	MeJP	NA	NA
+C12048	Griseorhodin A	C25H16O12	508.0642	NA	KEGG	NA	NA
+MJ075276	3-Indolylmethyl glucosinolate; N,4-Dimethoxy 	C18H24N2O11S2	508.082151	NA	MeJP	NA	NA
+FL5FECGS0007	Patuletin 3-glucuronide	C22H20O14	508.0853	33530-67-5	knapsack	NA	NA
+MJ075277	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Glucuronopyranoside 	C22H20O14	508.085305	NA	MeJP	NA	NA
+MJ075278	Antibiotic N 1999A2 	C27H21ClO8	508.092495	NA	MeJP	NA	NA
+MJ075279	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,4'-Tetra-Ac 	C26H20O11	508.100561	NA	MeJP	NA	NA
+MJ075280	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,7-Tetra-Ac 	C26H20O11	508.100561	NA	MeJP	NA	NA
+MJ075281	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,8-Tetra-Ac 	C26H20O11	508.100561	NA	MeJP	NA	NA
+MJ075282	Kirschsteinin 	C26H20O11	508.100561	NA	MeJP	NA	NA
+MJ075283	1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 10-Oxo 	C30H20O8	508.115817	NA	MeJP	NA	NA
+MJ075284	Hypericodehydrodianthrone 	C30H20O8	508.115817	NA	MeJP	NA	NA
+MJ075285	Lespedezol B2 	C30H20O8	508.115817	NA	MeJP	NA	NA
+MJ075286	Rheidin A; 2'-Deoxy 	C30H20O8	508.115817	NA	MeJP	NA	NA
+MJ075287	2',3',5,6',7,8-Hexahydroxyflavone; 2',8-Di-Me ether, 6'-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075288	2',4',5,5',6,7-Hexahydroxyflavone; 5',6-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075289	3',4',5,6,7,8-Hexahydroxyflavone; 6,7-Di-Me ether, 8-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075290	3',4',5,6,7,8-Hexahydroxyflavone; 6,8-Di-Me ether, 7-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075291	3',4',5,6,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 6-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075292	3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075293	3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone; 6-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075294	3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone; 6-O-D-Galactoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075295	3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075296	3,3',4',5,5',6,7-Heptahydroxyflavone; 6,7-Di-Me ether, 3-O-?-L-rhamnopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075297	3,3',4',5,5',7,8-Heptahydroxyflavone; 5',8-Di-Me ether, 3-O-?-L-rhamnopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075298	3,3',4',5,5',7-Hexahydroxyflavone; 3',4'-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075299	3,3',4',5,5',7-Hexahydroxyflavone; 4',7-Di-Me ether, 3-O-D-galactoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075300	3,3',4',5,6,7-Hexahydroxyflavone; 3',7-Di-Me ether, 6-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075301	3,3',4',5,7,8-Hexahydroxyflavone; 4',7-Di-Me ether, 8-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075302	3,3',4',5,7,8-Hexahydroxyflavone; 4',8-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075303	3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 3-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075304	3,3',4',5,7,8-Hexahydroxyflavone; 7,8-Di-Me ether, 4'-O-?-D-glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075305	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075306	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075307	3,4',5,7,8-Pentahydroxyflavanone, 8-O-(2-Acetyl-?-D-glucopyranoside) 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075308	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075309	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075310	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075311	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075312	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-?-D-Galactopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075313	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075314	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075315	3,4-Dihydro-4,5,8-trihydroxy-1(2H)-naphthalenone, 5-O-[(3,4,5-Trihydroxybenzoyl)-(?6)-?-D-glucopyranoside] 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075316	4',5,6,7-Tetrahydroxy-3,3'-dimethoxyflavone; 7-O-?-D-Glucopyranoside 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075317	6-Glucosyl-3,3',4',5,5',7-hexahydroxyflavone; 3',5'-Di-Me ether 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075318	Bergenin; 11-O-(3-Hydroxy-4,5-dimethoxybenzoyl) 	C23H24O13	508.12169	NA	MeJP	NA	NA
+MJ075319	Bergenin; 11-O-(4-Hydroxy-3,5-dimethoxybenzoyl) 	C23H24O13	508.12169	NA	MeJP	NA	NA
+FL3FF8GS0009	5,7,3',6'-Tetrahydroxy-8,2'-dimethoxyflavone 6'-glucoside	C23H24O13	508.12169	155014-34-9	knapsack	NA	NA
+FL3FGCGS0002	5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 7-glucoside	C23H24O13	508.12169	76746-57-1	knapsack	NA	NA
+FL3FGCGS0003	5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside	C23H24O13	508.12169	93290-68-7	knapsack	NA	NA
+FL3FGCGS0011	Pleurostimin 7-methyl ether 6-glucoside;5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside	C23H24O13	508.12169	-	knapsack	NA	NA
+FL4DFAGS0002	2''-Acetylcallunin	C23H24O13	508.12169	164920-58-5	knapsack	NA	NA
+FL5FAICS0001	Moghanin A;6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C23H24O13	508.12169	194782-36-0	knapsack	NA	NA
+FL5FAIGA0001	Syringetin 3-galactoside	C23H24O13	508.12169	55025-56-4	knapsack	NA	NA
+FL5FAIGL0001	Syringetin 3-glucoside	C23H24O13	508.12169	40039-49-4	knapsack	NA	NA
+FL5FAKGS0002	Myricetin 3',4'-dimethyl ether 3-glucoside;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C23H24O13	508.12169	244775-37-9	knapsack	NA	NA
+FL5FCJGA0001	Myricetin 7,4'-dimethyl ether 3-galactoside	C23H24O13	508.12169	86828-99-1	knapsack	NA	NA
+FL5FECGA0004	Eupatolitin 3-galactoside	C23H24O13	508.12169	98604-36-5	knapsack	NA	NA
+FL5FECGL0010	Eupatolitin 3-glucoside	C23H24O13	508.12169	38900-24-2	knapsack	NA	NA
+FL5FECGL0011	Spinacetin 3-glucoside	C23H24O13	508.12169	81563-84-0	knapsack	NA	NA
+FL5FECGS0013	Axillaroside	C23H24O13	508.12169	41749-40-0	knapsack	NA	NA
+FL5FECGS0015	Tomentin 6-galactoside	C23H24O13	508.12169	76057-15-3	knapsack	NA	NA
+FL5FECGS0016	Tomentin 6-glucoside	C23H24O13	508.12169	64190-90-5	knapsack	NA	NA
+FL5FECGS0017	Tomentin 4'-glucoside	C23H24O13	508.12169	71827-17-3	knapsack	NA	NA
+FL5FECGS0019	Quercetagetin 3,3'-dimethyl ether 7-glucoside	C23H24O13	508.12169	-	knapsack	NA	NA
+FL5FECGS0022	Spinacetin 7-glucoside	C23H24O13	508.12169	60048-89-7	knapsack	NA	NA
+FL5FECGS0067	Quercetagetin 7,3'-dimethyl ether 6-glucoside;6-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C23H24O13	508.12169	224623-25-0	knapsack	NA	NA
+FL5FFCGA0006	Limocitrin 3-galactoside	C23H24O13	508.12169	103839-19-6	knapsack	NA	NA
+FL5FFCGL0009	Gossypetin 7,8-dimethyl ether 3-glucoside;2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one	C23H24O13	508.12169	161895-69-8	knapsack	NA	NA
+FL5FFCGL0010	Limocitrin 3-glucoside	C23H24O13	508.12169	38836-51-0	knapsack	NA	NA
+FL5FFCGS0014	Gossypetin 7,8-dimethyl ether 4'-glucoside	C23H24O13	508.12169	161895-70-1	knapsack	NA	NA
+FL5FFCGS0015	Gossypetin 7,4'-dimethyl ether 8-glucoside	C23H24O13	508.12169	32427-55-7	knapsack	NA	NA
+FL5FFCGS0017	Limocitrin 7-glucoside	C23H24O13	508.12169	119628-58-9	knapsack	NA	NA
+FL5FFCGS0025	Gossypetin 3,8-dimethyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one	C23H24O13	508.12169	637774-69-7	knapsack	NA	NA
+FL5FFGGS0002	Hibiscetin 8,3'-dimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,5'-dimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one	C23H24O13	508.12169	167499-82-3	knapsack	NA	NA
+MJ075320	8-Methoxychlorotetracycline 	C23H25ClN2O9	508.124858	NA	MeJP	NA	NA
+MJ075321	Clomocycline 	C23H25ClN2O9	508.124858	NA	MeJP	NA	NA
+MJ075322	1,8-Dihydroxy-3-hydroxymethyl-10-lyxosyl-9(10H)-anthracenone; 1'-Benzoyl 	C27H24O10	508.136946	NA	MeJP	NA	NA
+MJ075323	Picramnioside E 	C27H24O10	508.136946	NA	MeJP	NA	NA
+MJ075324	Xanthocercin B; 5''-Methoxy 	C27H24O10	508.136946	NA	MeJP	NA	NA
+MJ075325	2-(Diphenylmethyl)-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine 	C27H29IN2	508.137542	NA	MeJP	NA	NA
+PJ003196	DDEM 	C18H28N4O11S	508.1476	NA	PeJP	NA	NA
+MJ075326	Ararobinol; 6-Methoxy 	C31H24O7	508.152203	NA	MeJP	NA	NA
+MJ075327	Ararobinol; 7-Methoxy 	C31H24O7	508.152203	NA	MeJP	NA	NA
+PJ003197	CCHF 	C21H28N6O5S2	508.1563	NA	PeJP	NA	NA
+MJ075328	Antirrhinoside; 5-Epimer, 6'-O-(4-hydroxycinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075329	Antirrhinoside; 6'-O-(4-Hydroxycinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075330	Arbutin; 2-O-(5-O-Benzoyl-?-D-apiofuranosyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075331	Aucubigenin; 10-O-(3,4-Dihydroxycinnamoyl), 1-O-?-D-glucopyranoside 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075332	Catalpol; 10-(4-Hydroxy-E-cinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075333	Catalpol; 10-O-(4-Hydroxy-Z-cinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075334	Catalpol; 6'-O-(4-Hydroxy-E-cinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075335	Catalpol; 6-O-(4-Hydroxy-Z-cinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075336	Catalpol; 6-O-(4-Hydroxycinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075337	Javanicin 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075338	Monomelittoside; 6-(4-Hydroxy-E-cinnamoyl) 	C24H28O12	508.158076	NA	MeJP	NA	NA
+MJ075339	Monotropein; 10-Benzoyl, Me ester 	C24H28O12	508.158076	NA	MeJP	NA	NA
+PJ003198	GSCNE 	C17H28N6O10S	508.1588	NA	PeJP	NA	NA
+MJ075340	4,7-Didehydroneophysalin B 	C28H28O9	508.173332	NA	MeJP	NA	NA
+MJ075341	Chrysomycin A 	C28H28O9	508.173332	NA	MeJP	NA	NA
+MJ075342	Rocaglatic acid; 3'-Hydroxy, Me ester 	C28H28O9	508.173332	NA	MeJP	NA	NA
+PJ003199	SCNW 	C21H28N6O7S	508.174	NA	PeJP	NA	NA
+PJ003200	SSSND 	C17H28N6O12	508.1765	NA	PeJP	NA	NA
+PJ003201	NNMM 	C18H32N6O7S2	508.1774	NA	PeJP	NA	NA
+MJ075343	Aucubigenin; 1,10-Di-O-?-D-glucopyranoside 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075344	Aucubigenin; 1-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075345	Aucubigenin; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075346	Catalpol; 6-O-?-L-Rhamnopyranoside 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075347	Catalpol; O6-Me, 6'-O-?-D-xylopyranoside 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075348	Decaloside; 11-O-?-D-Alloside 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075349	Monomelittoside; 5-O-?-D-Glucopyranoside, 10-deoxy 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075350	Mussaenosidic acid; 2'-O-?-D-Apiofuranosyl 	C21H32O14	508.179205	NA	MeJP	NA	NA
+MJ075351	Riboflavine; 5'-?-D-Ribofuranoside 	C22H28N4O10	508.180543	NA	MeJP	NA	NA
+PJ003202	PDDY 	C22H28N4O10	508.1806	NA	PeJP	NA	NA
+PJ003203	TEEM 	C19H32N4O10S	508.1839	NA	PeJP	NA	NA
+PJ003204	PMMM 	C20H36N4O5S3	508.1848	NA	PeJP	NA	NA
+MJ075352	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 12-Ketone, 2-butanoyl, 9-Ac 	C26H33ClO8	508.186395	NA	MeJP	NA	NA
+MJ075353	3,4-Dihydro-5-methoxy-12-methyl-2,8-diphenyl-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-11,13-diol 	C32H28O6	508.188588	NA	MeJP	NA	NA
+MJ075354	Dracoflavan B1; 3-Deoxy, 5-O-de-Me 	C32H28O6	508.188588	NA	MeJP	NA	NA
+PJ003205	CCQR 	C17H32N8O6S2	508.1886	NA	PeJP	NA	NA
+PJ003206	GACCR 	C17H32N8O6S2	508.1887	NA	PeJP	NA	NA
+MJ075355	Nikkomycin ZT 	C21H28N6O9	508.191776	NA	MeJP	NA	NA
+MJ075356	Wybutosine 	C21H28N6O9	508.191776	NA	MeJP	NA	NA
+PJ003207	NNDF 	C21H28N6O9	508.1918	NA	PeJP	NA	NA
+MJ075357	1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-?-D-Glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075358	1-(Dimethylaminomethyl)-5-isopropyl-3,8-dimethylazulene 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075359	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 4'-O-?-D-glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075360	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3'-Me ether, 5-O-?-D-glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075361	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl), 15-O-?-D-glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075362	8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-(2-Methylpropenoyl), 15-O-?-D-glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075363	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-Ac, Me ester 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075364	Brachycalyxolide; 16?,17-Dihydro 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075365	Gibberellenic acid; 3-O-?-D-Glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075366	Gibberellin A3; 3-O-?-D-Glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075367	Isogibberellic acid; 3-O-?-D-Glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+MJ075368	Ponalactone A; ?-D-Glucopyranoside 	C25H32O11	508.194461	NA	MeJP	NA	NA
+C04070	Gibberellin 2-O-beta-D-glucoside	C25H32O11	508.1945	NA	KEGG	NA	NA
+PJ003208	GSSQM 	C18H32N6O9S	508.1952	NA	PeJP	NA	NA
+MJ075369	Libecillide 	C23H32N4O7S	508.19917	NA	MeJP	NA	NA
+PJ003209	PDMF 	C23H32N4O7S	508.1992	NA	PeJP	NA	NA
+PJ003210	VEMM 	C20H36N4O7S2	508.2026	NA	PeJP	NA	NA
+PJ003211	SEHH 	C20H28N8O8	508.203	NA	PeJP	NA	NA
+PJ003212	GSSCR 	C17H32N8O8S	508.2064	NA	PeJP	NA	NA
+MJ075370	Mortonin C 	C29H32O8	508.209718	NA	MeJP	NA	NA
+MJ075371	Mortonin D 	C29H32O8	508.209718	NA	MeJP	NA	NA
+MJ075372	Kirondrine 	C30H28N4O4	508.211055	NA	MeJP	NA	NA
+MJ075373	Staurosporine; 4'-N-Ac 	C30H28N4O4	508.211055	NA	MeJP	NA	NA
+MJ075374	Kumujansine; 8',11-Dimethoxy 	C30H29N4O4(+)	508.211055	NA	MeJP	NA	NA
+MJ075375	Picrasidine T, Di-Me ether 	C30H29N4O4(+)	508.211055	NA	MeJP	NA	NA
+PJ003213	SSSTQ 	C18H32N6O11	508.2129	NA	PeJP	NA	NA
+PJ003214	CQKM 	C19H36N6O6S2	508.2138	NA	PeJP	NA	NA
+MJ075376	6-O-Oleuropeoylsucrose 	C22H36O13	508.215591	NA	MeJP	NA	NA
+PJ003215	PTEY 	C23H32N4O9	508.2169	NA	PeJP	NA	NA
+PJ003216	VDEF 	C23H32N4O9	508.217	NA	PeJP	NA	NA
+PJ003217	CLHH 	C21H32N8O5S	508.2217	NA	PeJP	NA	NA
+PJ003218	CCKR 	C18H36N8O5S2	508.225	NA	PeJP	NA	NA
+MJ075377	Strellidimine 	C34H28N4O	508.226311	NA	MeJP	NA	NA
+MJ075378	Difluprednate 	C27H34F2O7	508.227259	NA	MeJP	NA	NA
+MJ075379	Procinonide 	C27H34F2O7	508.227259	NA	MeJP	NA	NA
+PJ003219	AQQY 	C22H32N6O8	508.2282	NA	PeJP	NA	NA
+MJ075380	1,19:7,8:17,18-Triepoxy-10(17),13-xenicadiene-6,11,12,18-tetrol; 11,12,18-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075381	11(15?1)-Abeo-2,5,7,9,10,15-hexahydroxy-4(20),11-taxadien-13-one, 2,9,10-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075382	11,20-Epoxy-2,8,9,14-tetrahydroxy-5-briaren-18,7-olide; 2,9,14-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075383	2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 2,9,14-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075384	2,4,8,9,14-Pentahydroxy-5,11-briaradien-18,7-olide, 2,4,14-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075385	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 2,10,11-tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075386	2,8,9,11,12-Pentahydroxy-5,13-briaradien-18,7-olide; 2,9,12-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075387	2,8,9,14,16-Pentahydroxy-5,11-briaradien-18,7-olide, 2,9,14-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075388	2,9,12,14-Tetrahydroxy-5,8(17)-briaradien-18,7-olide; 8?,17?-Epoxide, 2,9,14-tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075389	3,7,8,10,11-Pentahydroxy-4-guaien-12,6-olide, 3-Angeloyl, 8-butanoyl, 10-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075390	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6,11,19-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075391	4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075392	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3-Ketone, 6,7,9-tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075393	8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 2,12,14-Tri-Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075394	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester (1) 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075395	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester (2) 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075396	Betolide; 17-Alcohol, 14-O-?-D-glucopyranoside 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075397	Betolide; 17-Alcohol, 15-O-?-D-glucopyranoside 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075398	Betolide; 17-Alcohol, 17-O-?-D-glucopyranoside 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075399	Cafamarine 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075400	Gibberellin A15; 3?-Hydroxy, ?-D-glucopyranosyl ester 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075401	Helioxenicin A 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075402	Mascarol; 15-Deoxy, 11-O-?-D-glucopyranoside 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075403	Melianolone 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075404	Secoisolariciresinol, 9-O-?-L-Rhamnopyranoside 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075405	T2 Toxin; Ac 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075406	chiro-Inositol, 1,2,3,5-Tetra-O-angeloyl 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075407	chiro-Inositol, 1,2,4,5-Tetra-O-angeloyl 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075408	myo-Inositol; 1,2,4,5-Tetra-O-angeloyl 	C26H36O10	508.230847	NA	MeJP	NA	NA
+MJ075409	myo-Inositol; 1,2,4,6-Tetra-O-angeloyl 	C26H36O10	508.230847	NA	MeJP	NA	NA
+PJ003220	GSSKM 	C19H36N6O8S	508.2316	NA	PeJP	NA	NA
+PJ003221	PVMY 	C24H36N4O6S	508.2356	NA	PeJP	NA	NA
+MJ075410	Clocortolone; 21-Hexanoyl 	C28H38ClFO5	508.23918	NA	MeJP	NA	NA
+PJ003222	GNRY 	C21H32N8O7	508.2394	NA	PeJP	NA	NA
+FL2FACNP0012	Tanariflavanone A;5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone	C30H36O7	508.2461	352276-80-3	knapsack	NA	NA
+FL2FALNI0025	Exiguaflavanone J	C30H36O7	508.2461	156281-20-8	knapsack	NA	NA
+FL2FALNI0036	Tomentosanol E;5,7,2',4',6'-Pentahydroxy-8-prenyl-6-geranylflavanone	C30H36O7	508.2461	202054-74-8	knapsack	NA	NA
+FL4DACNI0002	Petalostemumol	C30H36O7	508.2461	152253-68-4	knapsack	NA	NA
+FL4DALNI0002	Kushenol M	C30H36O7	508.2461	101236-51-5	knapsack	NA	NA
+FL4DALNI0009	Sanggenol K;3,5,7,2',4'-Pentahydroxy-6-prenyl-3'-geranylflavanone	C30H36O7	508.2461	202526-56-5	knapsack	NA	NA
+FL4DALNI0010	Sanggenol D;3,5,7,2',4'-Pentahydroxy-5'-prenyl-3'-geranylflavanone	C30H36O7	508.2461	174423-33-7	knapsack	NA	NA
+MJ075411	3,3',4',5,7-Pentahydroxy-2',6',8-triprenylflavanone 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075412	Exiguaflavanone J 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075413	Kushenol M 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075414	Mahonin 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075415	Ornativolide; 2,3-Dihydro 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075416	Pungiolide A 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075417	Sanggenol D 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075418	Sanggenol K 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075419	Tanariflavanone A 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075420	Tomentosanol E 	C30H36O7	508.246103	NA	MeJP	NA	NA
+MJ075421	Argatroban 	C23H36N6O5S	508.246788	NA	MeJP	NA	NA
+C04931	Argatroban	C23H36N6O5S	508.2468	NA	KEGG	NA	NA
+C15553	PD 123319	C31H32N4O3	508.2474	NA	KEGG	NA	NA
+MJ075422	1-[(4-Amino-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, N,N-Di-Me 	C31H32N4O3	508.24744	NA	MeJP	NA	NA
+PJ003223	SSSTK 	C19H36N6O10	508.2493	NA	PeJP	NA	NA
+PJ003224	CKKM 	C20H40N6O5S2	508.2502	NA	PeJP	NA	NA
+PJ003225	VVEY 	C24H36N4O8	508.2533	NA	PeJP	NA	NA
+MJ075423	Aestivophoenin B; Debenzoyl 	C29H36N2O6	508.257336	NA	MeJP	NA	NA
+MJ075424	Elegansamine 	C29H36N2O6	508.257336	NA	MeJP	NA	NA
+MJ075425	Gelsamydine 	C29H36N2O6	508.257336	NA	MeJP	NA	NA
+MJ075426	2-Butyl-6-(1-methoxy-1-methylethyl)-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-quinazolinone 	C30H32N6O2	508.258674	NA	MeJP	NA	NA
+2826	PEP inhibitor	APTMPPPLPP	508.2602	MH2+	Inhouse_peptide	NA	peptide
+PJ003226	AQKY 	C23H36N6O7	508.2646	NA	PeJP	NA	NA
+7573	ACE inhibitor from chicken troponin C	RMLGNTPTK	508.26465	MH2+	Inhouse_peptide	NA	peptide
+MJ075427	1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3,8-Diangeloyl, 9-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075428	1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3-Angeloyl, 8-(3-methyl-2-butenoyl), 9-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075429	1,2,11-Trihydroxy-12-oxo-7-drimen-15,11-olide, 2-O-(2R-Acetoxydecanoyl) 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075430	15,17-Epoxy-6,15,17-trihydroxy-16-isocopalanoic acid, Tri-Ac, Me ester 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075431	2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 7?,8?-Epoxide, 2-butanoyl, 14-Ac, Me ester 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075432	2,19:4,18:11,16:15,16-Tetraepoxy-6,15,19-clerodanetriol, 19-(2S-Methylbutanoyl), 6-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075433	2,19:4,18:15,16-Triepoxy-6,7,16,19-clerodanetetrol, 19-Tigloyl, 6-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075434	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 8-(2-Methylbutanoyl), 2-(3-methylbutanoyl), 10-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075435	3,14-Dihydroxypregn-5-ene-7,20-dione, 3-O-?-D-Glucopyranoside 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075436	3,4-Epoxy-7(14)-bisabolene-1,2,8,10,11-pentol; 2,8-Diangeloyl, 1-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075437	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 19-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075438	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 6-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075439	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 19-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075440	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 6-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075441	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-(2-Methylbutanoyl), 11-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075442	4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-(3-methyl-2-butenoyl), 12-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075443	4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-angeloyl, 12-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075444	4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-tigloyl, 12-Ac 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075445	Soraphen A; 12,13-Dihydro, 13?-hydroxy, 10,11-bis-O-de-Me, 11-ketone 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075446	Soraphen A; 3''-Hydroxy, di-O-de-Me 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075447	Spirost-25(27)-ene-1,2,3,4,5,6,7-heptol, 6-Ketone 	C27H40O9	508.267232	NA	MeJP	NA	NA
+MJ075448	Aphelandrine, N6-Hydroxy 	C28H36N4O5	508.26857	NA	MeJP	NA	NA
+PJ003227	PVFF 	C28H36N4O5	508.2686	NA	PeJP	NA	NA
+PJ003228	VLMF 	C25H40N4O5S	508.272	NA	PeJP	NA	NA
+2936	myelopeptide	FRPRIMTP	508.2727	MH2+	Inhouse_peptide	NA	peptide
+PJ003229	PQKH 	C22H36N8O6	508.2758	NA	PeJP	NA	NA
+MJ075449	26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1,3-diol 	C27H38F6O2	508.277599	NA	MeJP	NA	NA
+MJ075450	Amauromine 	C32H36N4O2	508.283826	NA	MeJP	NA	NA
+MJ075451	Fellutanine B; N1''-(1,1-Dimethyl-2-propenyl) 	C32H36N4O2	508.283826	NA	MeJP	NA	NA
+MJ075452	Fellutanine C 	C32H36N4O2	508.283826	NA	MeJP	NA	NA
+MJ075453	Nigrifortine 	C32H36N4O2	508.283826	NA	MeJP	NA	NA
+MJ075454	Usambarensine; 1R',2',3',4'-Tetrahydro, Nb-ethoxycarbonyl(?-) 	C32H36N4O2	508.283826	NA	MeJP	NA	NA
+MJ075455	3-Hydroxyergosta-5,24(28)-dien-19-oic acid, 3-Sulfate 	C28H44O6S	508.285859	NA	MeJP	NA	NA
+MJ075456	7-Megastigmene-3,9-diol, 7,8-Dihydro, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H44O11	508.288362	NA	MeJP	NA	NA
+PJ003230	TLLY 	C25H40N4O7	508.2897	NA	PeJP	NA	NA
+MJ075457	Aburatubolactam A 	C30H40N2O5	508.293722	NA	MeJP	NA	NA
+MJ075458	Aburatubolactam B; 25-Deoxy 	C30H40N2O5	508.293722	NA	MeJP	NA	NA
+PJ003231	AKKY 	C24H40N6O6	508.301	NA	PeJP	NA	NA
+MJ075459	1(10),4-Germacradien-6-ol, O-(2-O-Angeloyl-6-O-acetyl-?-O-glucopyranoside) 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075460	16-Kaurene-6,15,20-triol, 6-Deoxy, 20-O-(2-acetyl-?-D-glucopyranoside) 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075461	2,3,11,14,20,22,25-Heptahydroxyergost-7-en-6-one, 24,28-Didehydro 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075462	22,23-Epoxy-2,3,11,14,20,25-hexahydroxyergost-7-en-6-one 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075463	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075464	3,5,6,8,12,14-Hexahydroxypregnan-20-one, 12-(3,4-Dimethyl-2-pentenoyl) 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075465	3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl), 18-Ac 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075466	3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl), 2-Ac 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075467	Gaudichaudioside F 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075468	Siphonarin A; 3?-Alcohol 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075469	Siserrone A 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075470	Soraphen A; 12,13-Dihydro, 11-O-de-Me 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075471	Soraphen A; 12,13-Dihydro, 18-O-de-Me 	C28H44O8	508.303618	NA	MeJP	NA	NA
+MJ075472	Soraphen R; 10,11-Di-Me ether 	C28H44O8	508.303618	NA	MeJP	NA	NA
+PJ003232	PKKH 	C23H40N8O5	508.3122	NA	PeJP	NA	NA
+MJ075473	Bengazole Z; O2-Tetradecanoyl 	C27H44N2O7	508.314851	NA	MeJP	NA	NA
+MJ075474	Bengazole Z; O3-Tetradecanoyl 	C27H44N2O7	508.314851	NA	MeJP	NA	NA
+MJ075475	Bengazole Z; O4-Tetradecanoyl 	C27H44N2O7	508.314851	NA	MeJP	NA	NA
+MJ075476	Bengazole Z; O6-Tetradecanoyl 	C27H44N2O7	508.314851	NA	MeJP	NA	NA
+MJ075477	3-Hydroxy-12-oxo-13,15,17(20),22,24-isomalabaricapentaen-26-oic acid, Ac 	C32H44O5	508.318874	NA	MeJP	NA	NA
+MJ075478	3-Hydroxy-12-oxo-13,15,17(20),22,24-malabaricapentaen-28-oic acid, 3-Ac 	C32H44O5	508.318874	NA	MeJP	NA	NA
+MJ075479	Paecilospirone 	C32H44O5	508.318874	NA	MeJP	NA	NA
+MJ075480	Pyrextramine 	C26H48N6S2	508.338186	NA	MeJP	NA	NA
+MJ075481	2,3,14,20,22,23-Hexahydroxystigmast-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075482	2,3,14,20,22,25-Hexahydroxystigmast-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075483	2,3,14,20,22,26-Hexahydroxystigmast-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075484	2,3,14,20,22,28-Hexahydroxystigmast-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075485	2,3,14,20,22,29-Hexahydroxystigmast-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075486	23-Ethyl-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075487	3,11,14,20,22,26-Hexahydroxystigmast-7-en-6-one 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075488	Cholest-7-ene-2,3,5,6,9,11-hexol, 11-Ac 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075489	Contignasterol 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075490	Stigmasta-7,22-diene-2,3,5,6,9,11,19-heptol 	C29H48O7	508.340003	NA	MeJP	NA	NA
+MJ075491	Isoborreverine; N4,N4'-Di-Me 	C34H44N4	508.356597	NA	MeJP	NA	NA
+MJ075492	Avicennamine 	C32H48N2O3	508.366493	NA	MeJP	NA	NA
+MJ075493	Culantraraminol 	C32H48N2O3	508.366493	NA	MeJP	NA	NA
+MJ075494	Lycofoline; 8-Ketone, 1:1 complex with Lycopodine CDK25-X 	C32H48N2O3	508.366493	NA	MeJP	NA	NA
+MJ075495	2'-Apo-?-carotenal 	C37H48O	508.370516	NA	MeJP	NA	NA
+MJ075496	?-Apo-2'-carotenal 	C37H48O	508.370516	NA	MeJP	NA	NA
+MJ075497	20,24-Epoxydammarane-3,12,23,25,28-pentol 	C30H52O6	508.376389	NA	MeJP	NA	NA
+MJ075498	Ergostane-1,3,5,6,25-pentol, 25-Ac 	C30H52O6	508.376389	NA	MeJP	NA	NA
+MJ075499	Ergostane-3,5,6,25,26-pentol, 25-Ac 	C30H52O6	508.376389	NA	MeJP	NA	NA
+MJ075500	Lanost-8-ene-2,3,12,21,24,25-hexol 	C30H52O6	508.376389	NA	MeJP	NA	NA
+MJ075501	Sodwanone N 	C30H52O6	508.376389	NA	MeJP	NA	NA
+MJ075502	Demethylcacalohastine; 3,4-Didehydro, 14-octadecyloxy, 9-Me ether 	C34H52O3	508.391645	NA	MeJP	NA	NA
+MJ075503	2-[2-(A'-Neo-30-norgammaceran-22-yl)ethyl]thiophene 	C35H56S	508.410272	NA	MeJP	NA	NA
+HMDB07038	DG(14:1(9Z)/14:1(9Z)/0:0)	C31H56O5	508.412781	NA	HMDB2010	NA	NA
+MJ075504	20(30)-Taraxasten-3-ol, Tigloyl 	C35H56O2	508.428031	NA	MeJP	NA	NA
+MJ075505	20-Taraxasten-3-ol, Tigloyl 	C35H56O2	508.428031	NA	MeJP	NA	NA
+MJ075506	Nodolidol; Ac 	C32H60O4	508.44916	NA	MeJP	NA	NA
+MJ075507	Alexidine 	C26H56N10	508.468941	NA	MeJP	NA	NA
+MJ075508	4-Hydroxy-16,18-tritriacontanedione 	C33H64O3	508.485545	NA	MeJP	NA	NA
+MJ075509	5-Hydroxy-12,14-tritriacontanedione 	C33H64O3	508.485545	NA	MeJP	NA	NA
+MJ075510	C37 Botryococcene 	C37H64	508.500802	NA	MeJP	NA	NA
+MJ075511	Budmunchiamine K 	C31H64N4O	508.508012	NA	MeJP	NA	NA
+MJ075512	1-Dotriacontanol; Ac 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075513	1-Hydroxy-4-tetratriacontanone 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075514	2,4,6,8-Tetramethyltriacontanoic acid 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075515	22-Hydroxy-13-tetratriacontanone 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075516	28-Hydroxy-6-methyl-5-tritriacontanone 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075517	3-(2-Methoxypropyl)-4-methyl-2-nonacosanone 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075518	31-Methyltritriacontanoic acid 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075519	32-Hydroxy-5-tetratriacontanone 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075520	5-Hydroxy-9-tetratriacontanone 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075521	Hexadecyl octadecanoate 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075522	Tetratriacontanoic acid 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075523	Tritriacontanoic acid; Me ester 	C34H68O2	508.521931	NA	MeJP	NA	NA
+MJ075524	1-Methoxy-16,20,24-trimethylhentriacontane 	C35H72O	508.558316	NA	MeJP	NA	NA
+MJ075525	1-Methoxy-2,30-dimethyldotriacontane 	C35H72O	508.558316	NA	MeJP	NA	NA
+MJ075526	1-Pentatriacontanol 	C35H72O	508.558316	NA	MeJP	NA	NA
+MJ075527	17-Pentatriacontanol 	C35H72O	508.558316	NA	MeJP	NA	NA
+MJ075528	2-Pentatriacontanol 	C35H72O	508.558316	NA	MeJP	NA	NA
+MJ075529	32-Methyl-8-tetratriacontanol 	C35H72O	508.558316	NA	MeJP	NA	NA
+C13756	Dicloxacillin sodium	C19H16Cl2N3O5S	509.0191	NA	KEGG	NA	NA
+MJ075530	Flumethrin 	C28H22Cl2FNO3	509.096077	NA	MeJP	NA	NA
+MJ075531	5-Hydroxypentyl glucosinolate; O5-Benzoyl 	C19H27NO11S2	509.102552	NA	MeJP	NA	NA
+MJ075532	8-(Methylthio)octyl glucosinolate; S,S-Dioxide 	C16H31NO11S3	509.105922	NA	MeJP	NA	NA
+MJ075533	3,5-Dihydroxy-2-[[1-oxo-3-(3,4,5-trihydroxyphenyl)-2-propenyl]amino]benzoic acid, 5-O-?-Glucopyranoside 	C22H23NO13	509.116939	NA	MeJP	NA	NA
+PJ003233	GCCNN 	C16H27N7O8S2	509.1363	NA	PeJP	NA	NA
+MJ075534	N6,N6,O-Trimethylpuromycin-5'-phosphate 	C19H24N7O8P	509.142397	NA	MeJP	NA	NA
+C07027	N6,N6,O-Tridemethylpuromycin-5'-phosphate	C19H24N7O8P	509.1424	NA	KEGG	NA	NA
+PJ003234	GSCDE 	C17H27N5O11S	509.1428	NA	PeJP	NA	NA
+PJ003235	GPCCM 	C18H31N5O6S3	509.1437	NA	PeJP	NA	NA
+C11212	NIK250	C26H27N3O4S2	509.1443	NA	KEGG	NA	NA
+PJ003236	SCDW 	C21H27N5O8S	509.1581	NA	PeJP	NA	NA
+PJ003237	SSSDD 	C17H27N5O13	509.1606	NA	PeJP	NA	NA
+PJ003238	NDMM 	C18H31N5O8S2	509.1614	NA	PeJP	NA	NA
+MJ075535	Daunomycin; 8-Deoxy, 7,8-didehydro 	C27H27NO9	509.168581	NA	MeJP	NA	NA
+PJ003239	CCER 	C17H31N7O7S2	509.1727	NA	PeJP	NA	NA
+PJ003240	NDDF 	C21H27N5O10	509.1758	NA	PeJP	NA	NA
+PJ003241	ACMW 	C22H31N5O5S2	509.1767	NA	PeJP	NA	NA
+PJ003242	GSSEM 	C18H31N5O10S	509.1792	NA	PeJP	NA	NA
+PJ003243	CNHH 	C19H27N9O6S	509.1805	NA	PeJP	NA	NA
+MJ075536	Antibiotic F 1370B 	C23H31N3O8S	509.183185	NA	MeJP	NA	NA
+MJ075537	Pyronaamidine; 19-Hydroxy 	C2525H27N5O7	509.191048	NA	MeJP	NA	NA
+PJ003244	SSMW 	C22H31N5O7S	509.1944	NA	PeJP	NA	NA
+PJ003245	SSSTE 	C18H31N5O12	509.1969	NA	PeJP	NA	NA
+PJ003246	TQMM 	C19H35N5O7S2	509.1978	NA	PeJP	NA	NA
+PJ003247	GPPCH 	C21H31N7O6S	509.2057	NA	PeJP	NA	NA
+MJ075538	Troxypyrrolium(1+); 4-Methylbenzenesulfonate 	C25H35NO8S	509.208337	NA	MeJP	NA	NA
+PJ003248	TCMR 	C18H35N7O6S2	509.209	NA	PeJP	NA	NA
+PJ003249	AQEY 	C22H31N5O9	509.2122	NA	PeJP	NA	NA
+PJ003250	GTTTM 	C19H35N5O9S	509.2156	NA	PeJP	NA	NA
+PJ003251	GDRY 	C21H31N7O8	509.2234	NA	PeJP	NA	NA
+MJ075539	Ryanodine; 10-Epimer, 9?-hydroxy 	C25H35NO10	509.226096	NA	MeJP	NA	NA
+MJ075540	Dichotomin E 	C26H31N5O6	509.227433	NA	MeJP	NA	NA
+PJ003252	AAYW 	C26H31N5O6	509.2275	NA	PeJP	NA	NA
+PJ003253	PCKY 	C23H35N5O6S	509.2308	NA	PeJP	NA	NA
+MJ075541	Miproxifene, Phosphate ester 	C29H36NO5P	509.233109	NA	MeJP	NA	NA
+PJ003254	STTTT 	C19H35N5O11	509.2333	NA	PeJP	NA	NA
+PJ003255	TKMM 	C20H39N5O6S2	509.2342	NA	PeJP	NA	NA
+7503	ACE inhibitor	TQVY	509.236	antioxidative	Inhouse_peptide	NA	peptide
+PJ003256	APHW 	C25H31N7O5	509.2387	NA	PeJP	NA	NA
+MJ075542	Trideacetylpyripyropene A; 7,11-Dideoxy, 3,19-di-Ac 	C29H35NO7	509.241352	NA	MeJP	NA	NA
+PJ003257	GMFR 	C22H35N7O5S	509.2421	NA	PeJP	NA	NA
+MJ075543	Epothilone A; 21-Hydroxy 	C26H39NO7S	509.244723	NA	MeJP	NA	NA
+PJ003258	AKEY 	C23H35N5O8	509.2486	NA	PeJP	NA	NA
+MJ075544	Ostreogrycin A; 13-Deoxy 	C28H35N3O6	509.252585	NA	MeJP	NA	NA
+MJ075545	Paraherquamide A; N17-Oxide 	C28H35N3O6	509.252585	NA	MeJP	NA	NA
+MJ075546	Methionylleucylphenylalanine; L-L-L-form, N-tert-Butyloxycarbonyl 	C25H39N3O6S	509.255956	NA	MeJP	NA	NA
+PJ003259	ATRY 	C22H35N7O7	509.2598	NA	PeJP	NA	NA
+PJ003260	CLKF 	C24H39N5O5S	509.2672	NA	PeJP	NA	NA
+MJ075547	Penochalasin C 	C32H35N3O3	509.267842	NA	MeJP	NA	NA
+C03010	N3'-Acetyltobramycin	C20H39N5O10	509.2697	NA	KEGG	NA	NA
+C03011	Nalpha-Acetylpeptide	C4H6NO3R	509.2697	NA	KEGG	NA	NA
+8200	ACE inhibitor	PTPVP	509.271	NA  ;SYN:()-Piperidine-2-carboxylic acid; (+/-)-2-Piperidinecarboxylate; (+/-)-2-Piperidinecarboxylic acid; (+/-)-Pipecolate; (+/-)-Pipecolic acid; (+/-)-Pipecolinate; (+/-)-Pipecolinic acid; (,+/-,)-2-Piperidinecarboxylic acid; (RS)-2-Piperidinecarboxylate; (RS)-2-Piperidinecarboxylic acid; ,alpha,-Pipecolinic acid; 2-Carboxypiperidine; 2-Pipecolinic acid; 2-Piperidinecarboxylate; 2-Piperidinecarboxylic acid; 2-Piperidinylcarboxylic acid; a-Pipecolinate; a-Pipecolinic acid; acide pipecolique; acide piperidine-carboxylique-2; alpha-Pipecolinate; alpha-Pipecolinic acid; Dihydrobaikiane; DL-2-Piperidinecarboxylate; DL-2-Piperidinecarboxylic acid; DL-Homoproline; DL-Pipecolate; DL-Pipecolic acid; DL-Pipecolinate; DL-Pipecolinic acid; Hexahydro-2-picolinate; Hexahydro-2-picolinic acid; Hexahydropicolinate; Hexahydropicolinic acid; Homoproline; pipecolate; pipecolic acid; Pipecolic acid free base; Pipecolinate; Pipecolinic acid; piperidine-2-carboxylic acid; Piperolinate; Piperolinic acidH2Amniotic Fluid; Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ003261	PTHR 	C21H35N9O6	509.2711	NA	PeJP	NA	NA
+MJ075548	Landiolol 	C25H39N3O8	509.273715	NA	MeJP	NA	NA
+MJ075549	7,18,19-Trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(12),13-diene-1,21-dione; 19-Ac 	C30H39NO6	509.277737	NA	MeJP	NA	NA
+MJ075550	Zoanthamine; 11-Oxo 	C30H39NO6	509.277737	NA	MeJP	NA	NA
+3344	ACE inhibitor	IVGRPRHQG	509.282	MH2+	Inhouse_peptide	NA	peptide
+36	Actin	IVGRPRHQG	509.284	MH2+	Inhouse_peptide	NA	peptide
+PJ003262	SLKY 	C24H39N5O7	509.285	NA	PeJP	NA	NA
+PJ003263	LLQH 	C23H39N7O6	509.2962	NA	PeJP	NA	NA
+MJ075551	8,13-Epoxy-1,6,7,9-tetrahydroxy-14-labden-11-one, 7-Ac, 6-(3-dimethylaminopropanoyl) 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075552	Browniine; O14-Ac 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075553	Browniine; O6-De-Me, O14-Me, O6-Ac 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075554	Cevine 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075555	Delphatine; O6-De-Me, O6-Ac 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075556	Deltatsine; 14-Ac 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075557	Germine 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075558	Lycoctonine; O18-Ac 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+MJ075559	Veracevine 	C27H43NO8	509.298867	NA	MeJP	NA	NA
+C08654	Acetylbrowniine	C27H43NO8	509.2989	NA	KEGG	NA	NA
+C08715	Tricornine	C27H43NO8	509.2989	NA	KEGG	NA	NA
+C10807	Germine	C27H43NO8	509.2989	NA	KEGG	NA	NA
+C10828	Veracevine	C27H43NO8	509.2989	NA	KEGG	NA	NA
+PJ003264	VVHR 	C22H39N9O5	509.3074	NA	PeJP	NA	NA
+3412	ACE inhibitor	LALPP	509.309	ACE inhibitor	Inhouse_peptide	NA	peptide
+7669	ACE inhibitor from k-CN (94-98)	IAIPP	509.309	antioxidative	Inhouse_peptide	NA	peptide
+PJ003265	APPLL 	C25H43N5O6	509.3214	NA	PeJP	NA	NA
+PJ003266	LLKH 	C24H43N7O5	509.3326	NA	PeJP	NA	NA
+MJ075560	Deltatsine; Tri-O-Me 	C28H47NO7	509.335252	NA	MeJP	NA	NA
+MJ075561	Narbomycin 	C28H47NO7	509.335252	NA	MeJP	NA	NA
+C11998	Narbomycin	C28H47NO7	509.3353	NA	KEGG	NA	NA
+EUR671	Lyso PC 18:0 [M-H-CH3]-	C26H54NO7P	509.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR704	Lyso PE (20:0) monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR859	Lyso PE 20:0 monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR671	Lyso PC 18:0 [M-H-CH3]-	C26H54NO7P	509.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR704	Lyso PE (20:0) monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR859	Lyso PE 20:0 monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR671	Lyso PC 18:0 [M-H-CH3]-	C26H54NO7P	509.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR704	Lyso PE (20:0) monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR859	Lyso PE 20:0 monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR671	Lyso PC 18:0 [M-H-CH3]-	C26H54NO7P	509.348142	masses lipides attendues	Inhousejuil11	NA	NA
+EUR704	Lyso PE (20:0) monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	Inhousejuil11	NA	NA
+EUR859	Lyso PE 20:0 monoisotopic mass 	C25H52NO7P	509.348142	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11481	LysoPE(0:0/20:0)	C25H52NO7P	509.348145	NA	HMDB2010	NA	NA
+HMDB11511	LysoPE(20:0/0:0)	C25H52NO7P	509.348145	NA	HMDB2010	NA	NA
+HMDB12108	LysoPC(17:0)	C25H52NO7P	509.348145	NA	HMDB2010	NA	NA
+MJ075562	20-Aminopregnan-3-ol, N-Di-Me, O-?-D-glucopyranoside 	C29H51NO6	509.371638	NA	MeJP	NA	NA
+MJ075563	Amphiasterin C2; 3-Epimer, 6'',7''-dihydro 	C29H51NO6	509.371638	NA	MeJP	NA	NA
+MJ075564	Amphiasterin C2; 6'',7''-Dihydro 	C29H51NO6	509.371638	NA	MeJP	NA	NA
+MJ075565	Niphatoxin A 	C35H48N3(+)	509.376998	NA	MeJP	NA	NA
+HMDB11149	LysoPC(O-18:0)	C26H56NO6P	509.384521	NA	HMDB2010	NA	NA
+MJ075566	Rhodopeptin; Rhodopeptin C4 	C27H51N5O4	509.394105	NA	MeJP	NA	NA
+MJ075567	Disiquonium(1+); Chloride 	C27H60ClNO3Si	509.403099	NA	MeJP	NA	NA
+MJ075568	2-Amino-4-octadecene-1,3-diol, N-Tetradecanoyl 	C32H63NO3	509.480794	NA	MeJP	NA	NA
+C13916	N-(Tetradecanoyl)-sphing-4-enine	C32H63NO3	509.4808	NA	KEGG	NA	NA
+C13917	Transferred to D02162	C32H63NO3	509.4808	NA	KEGG	NA	NA
+HMDB11773	Cer(d18:1/14:0)	C32H63NO3	509.480804	NA	HMDB2010	NA	NA
+MJ075569	2,2',3-Tribromo-3',4,4',5-tetrahydroxy-6'-(methoxymethyl)diphenylmethane 	C15H13Br3O5	509.831311	NA	MeJP	NA	NA
+MJ075570	2,2',3-Tribromo-4,5,5',6'-tetrahydroxy-3'-(methoxymethyl)diphenylmethane 	C15H13Br3O5	509.831311	NA	MeJP	NA	NA
+MJ075571	Taurodispacamide A 	C13H16Br2N6O4S	509.932049	NA	MeJP	NA	NA
+MJ075572	(?-Carbonato)dioxodibismuth 	CBi2O5	509.935339	NA	MeJP	NA	NA
+MJ075573	2,3,5,6,7,15-Hexachloro-14-pentadecen-4-ol, O-Sulfate 	C15H24Cl6O4S	509.952646	NA	MeJP	NA	NA
+MJ075574	Lufenuron 	C17H8Cl2F8N2O3	509.978423	NA	MeJP	NA	NA
+C13016	Carumonam sodium	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13017	Transferred to D01561	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13018	Transferred to D01562	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13019	Transferred to D01563	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13020	Transferred to D01564	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13021	Transferred to D01565	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13022	Transferred to D01566	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+C13023	Transferred to D01567	C12H12N6O10S2	509.9852	NA	KEGG	NA	NA
+MJ075575	1-Deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-?-D-ribofuranuronamide 	C18H19IN6O4	510.051246	NA	MeJP	NA	NA
+MJ075576	Antibiotic FCRC 57G 	C25H18O12	510.079826	NA	MeJP	NA	NA
+MJ075577	Griseorhodin C; 8-Deoxy 	C25H18O12	510.079826	NA	MeJP	NA	NA
+MJ075578	(1-Thioglucopyranosato-S)(triethylphosphine)gold 	C12H26AuO5PS	510.090407	NA	MeJP	NA	NA
+MJ075579	Leinamycin 	C22H26N2O6S3	510.095298	NA	MeJP	NA	NA
+C15677	Leinamycin	C22H26N2O6S3	510.0953	NA	KEGG	NA	NA
+MJ075580	1,3-Hexahydroxydiphenoylglucose; ?-D-Pyranose-form, 4',4''-Di-Me ether 	C22H22O14	510.100955	NA	MeJP	NA	NA
+MJ075581	3,3',4',5,5',7,8-Heptahydroxyflavone; 8-Me ether, 3-O-?-D-glucopyranoside 	C22H22O14	510.100955	NA	MeJP	NA	NA
+MJ075582	Cefuroxime; 1-(Acetyloxy)ethyl ester 	C20H22N4O10S	510.105663	NA	MeJP	NA	NA
+C08107	Cefuroxime axetil	C20H22N4O10S	510.1057	NA	KEGG	NA	NA
+PJ003267	GCCND 	C16H26N6O9S2	510.1203	NA	PeJP	NA	NA
+MJ075583	8,3'''-Bi[4',7-dihydroxyflavanone] 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075584	Aloeemodin dianthrone 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075585	Anhydrophlegmacin-9,10-quinone A2; Bis(demethoxy) 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075586	Diphyllin; Cinnamoyl 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075587	Diphysin; 3,3'-Diepimer, 5,5'-dideoxy 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075588	Diphysin; 3-Epimer, 5,5'-dideoxy 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075589	Emodinbianthrone 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075590	Erythroaphins 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075591	Lophirone A 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075592	Lophirone B 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075593	Lophirone C 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075594	Palmidin B; 7'-Hydroxy 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075595	Penicilliopsin 	C30H22O8	510.131467	NA	MeJP	NA	NA
+MJ075596	?-Sorigenin; 8-O-[?-D-Xylopyranosyl-(1?6)-?-D-glopyranoside] 	C23H26O13	510.13734	NA	MeJP	NA	NA
+MJ075597	Swertiamarin; 6'-(2,3-Dihydroxybenzoyl) 	C23H26O13	510.13734	NA	MeJP	NA	NA
+PJ003268	DDMM 	C18H30N4O9S2	510.1454	NA	PeJP	NA	NA
+MJ075598	2,5-Dihydroxybenzyl alcohol; 2-O-(2,6-Di-O-benzoyl-?-D-glucopyranoside) 	C27H26O10	510.152597	NA	MeJP	NA	NA
+MJ075599	2,5-Dihydroxybenzyl alcohol; 2-O-(4,6-Di-O-benzoyl-?-D-glucopyranoside) 	C27H26O10	510.152597	NA	MeJP	NA	NA
+MJ075600	5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol, 1',3-Dibenzoyl, 1,2,4-tri-Ac 	C27H26O10	510.152597	NA	MeJP	NA	NA
+MJ075601	Gyrophoric acid; 2'',4-Di-Me ether, Me ester 	C27H26O10	510.152597	NA	MeJP	NA	NA
+MJ075602	Gyrophoric acid; 2',4-Di-Me ether, Me ester 	C27H26O10	510.152597	NA	MeJP	NA	NA
+MJ075603	Salicin; 1''-O-(2-Hydroxybenzoyl), 2'-benzoyl 	C27H26O10	510.152597	NA	MeJP	NA	NA
+PJ003269	GSCNM 	C17H30N6O8S2	510.1567	NA	PeJP	NA	NA
+PJ003270	DDDF 	C21H26N4O11	510.1598	NA	PeJP	NA	NA
+MJ075604	Camptothecin, O-?-D-Glucopyranoside 	C26H26N2O9	510.16383	NA	MeJP	NA	NA
+PJ003271	CDHH 	C19H26N8O7S	510.1645	NA	PeJP	NA	NA
+MJ075605	2-(3,4-Dihydro-10-hydroxy-9-methoxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5-yl)-1,8-dihydroxy-6-methyl-9,10-anthraquinone 	C31H26O7	510.167853	NA	MeJP	NA	NA
+MJ075606	Pirbenicillin 	C24H26N6O5S	510.168538	NA	MeJP	NA	NA
+FL63CIGS0001	Plumerubroside	C24H30O12	510.17372	131189-52-1	knapsack	NA	NA
+MJ075607	1,5-Bis(3,4-dihydroxyphenyl)-4,5-dihydroxy-1-pentanone, 5-Me ether, 4-O-?-D-glucopyranoside 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075608	3,3',4',5,5',7-Hexahydroxyflavan, 3',5',7-Tri-Me ether, 5-O-?-D-glucopyranoside 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075609	6-Hydroxyloganin; 7-O-Benzoyl 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075610	Harpagide; 6'-O-(4-Hydroxycinnamoyl) 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075611	Harpagide; 8-O-(2-Hydroxycinnamoyl) 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075612	Harpagide; 8-O-(4-Hydroxycinnamoyl) 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075613	Isoligustrosidic acid 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075614	Paeoniflorin; 4''-Methoxy 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075615	Paulownioside; 7-Epimer, 10-cinnamoyl 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075616	Paulownioside; 8-Epimer, 10-cinnamoyl 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075617	Secologanol; 7-O-(4-Hydroxybenzoyl) 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075618	Shanzhiside; 6'-Benzoyl, Me ester 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075619	Syringalactone A 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075620	Syringopicrogenin A; 3''-Hydroxy, 8-O-?-D-glucopyranoside 	C24H30O12	510.173726	NA	MeJP	NA	NA
+MJ075621	Tecomoside; 7-(4-Methoxybenzoyl) 	C24H30O12	510.173726	NA	MeJP	NA	NA
+PJ003272	SSSCQ 	C17H30N6O10S	510.1744	NA	PeJP	NA	NA
+PJ003273	PCEY 	C22H30N4O8S	510.1785	NA	PeJP	NA	NA
+MJ075622	Aglaiastatin; 5a''',N6'''-Didehydro, 7-O-de-Me 	C30H26N2O6	510.179086	NA	MeJP	NA	NA
+PJ003274	TEMM 	C19H34N4O8S2	510.1818	NA	PeJP	NA	NA
+MJ075623	Tobicillin 	C27H30N2O6S	510.182457	NA	MeJP	NA	NA
+MJ075624	1-(4-Hydroxybenzyl)-2,4,7-phenanthrenetriol; 9,10-Dihydro, 4-Me ether, 4'-O-?-D-glucopyranoside 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075625	25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075626	Isophysalin B 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075627	Physalin B 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075628	Physalin C 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075629	Physalin R 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075630	Territrem A 	C28H30O9	510.188982	NA	MeJP	NA	NA
+MJ075631	salin B 	C28H30O9	510.188982	NA	MeJP	NA	NA
+PJ003275	CNQF 	C21H30N6O7S	510.1897	NA	PeJP	NA	NA
+MJ075632	Antibiotic TAN 1030A; N6-(Methoxymethyl) 	C29H26N4O5	510.190319	NA	MeJP	NA	NA
+PJ003276	GSSSSS 	C17H30N6O12	510.1922	NA	PeJP	NA	NA
+PJ003277	GTCCK 	C18H34N6O7S2	510.1931	NA	PeJP	NA	NA
+MJ075633	Ajugol; 6-Epimer, 8-O-?-D-galactopyranoside 	C21H34O14	510.194855	NA	MeJP	NA	NA
+PJ003278	AEEY 	C22H30N4O10	510.1962	NA	PeJP	NA	NA
+PJ003279	VMMM 	C20H38N4O5S3	510.2005	NA	PeJP	NA	NA
+PJ003280	SMHH 	C20H30N8O6S	510.2009	NA	PeJP	NA	NA
+MJ075634	3-(3,5-Dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran 	C32H30O6	510.204238	NA	MeJP	NA	NA
+MJ075635	5,5',7,7'-Tetrahydroxy-4,8'-biflavan; 5,5'-Di-Me ether 	C32H30O6	510.204238	NA	MeJP	NA	NA
+MJ075636	Estramustine; 17-L-Alanine ester 	C26H36Cl2N2O4	510.205213	NA	MeJP	NA	NA
+PJ003281	SNQY 	C21H30N6O9	510.2074	NA	PeJP	NA	NA
+PJ003282	GGGGTY 	C21H30N6O9	510.2075	NA	PeJP	NA	NA
+MJ075637	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 4-O-?-D-xylopyranoside 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075638	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 9'-O-?-L-rhamnopyranoside 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075639	8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 11?,13-Dihydro, 8-(2-methylpropenoyl), 15-O-?-D-glucopyranoside 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075640	Gibberellin A1; ?-D-Glucopyranosyl ester 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075641	Gibberellin A20; 2?-O-(?-D-Glucopyranosyloxy) 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075642	Gibberellin A4; 11-O-?-D-Glucopyranosyloxy 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075643	Indaquassin D; 15?-Hydroxy 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075644	Marmin, 4'?-Hydroxy, 6'-O-?-D-glucopyranoside 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075645	Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-?-D-glucopyranoside 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MJ075646	Nagilactone A; 1-O-?-D-Glucopyranoside 	C25H34O11	510.210111	NA	MeJP	NA	NA
+MetaCyc03751	gibberellin 2-O-&beta;-D-glucoside []	C25H34O11	510.210112	NA	metacyc	NA	NA
+PJ003283	SSSCK 	C18H34N6O9S	510.2108	NA	PeJP	NA	NA
+PJ003284	PTMY 	C23H34N4O7S	510.2148	NA	PeJP	NA	NA
+C15623	GW 409544	C31H30N2O5	510.2155	NA	KEGG	NA	NA
+MJ075647	Aspergillic acid, Zn complex 	C24H38N4O4Zn	510.218452	NA	MeJP	NA	NA
+PJ003285	GSPNH 	C20H30N8O8	510.2187	NA	PeJP	NA	NA
+2774	protease HIV 1 inhibitor	LEYS	510.221	NA	Inhouse_peptide	NA	peptide
+MJ075648	1,2,3,4,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075649	1,6,9-Trihydroxydihydro-?-agarofuran, 6-(3-Furancarbonyl), 9-benzoyl, 1-Ac 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075650	1,6,9-Trihydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 6-benzoyl, 1-Ac 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075651	2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione, 11-Benzoyl, 7-Ac 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075652	4,18-Epoxy-6,8,19-trihydroxy-11,13-clerodadien-15,16-olide, 6-Benzoyl, 19-Ac 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075653	Amarolide; 11-(4-Hydroxycinnamoyl)(E-) 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075654	Angustidienolide 	C29H34O8	510.225368	NA	MeJP	NA	NA
+MJ075655	Nimbin; 28-Aldehyde 	C29H34O8	510.225368	NA	MeJP	NA	NA
+PJ003286	CNKF 	C22H34N6O6S	510.2261	NA	PeJP	NA	NA
+HMDB00579	Deuteroporphyrin IX	C30H30N4O4	510.226715	NA	HMDB2010	NA	NA
+HMDB00579	Deuteroporphyrin IX	C30H30N4O4	510.22672	http://www.hmdb.ca/metabolites/HMDB00579	HMDB	NA	NA
+HMDB00579	Deuteroporphyrin IX	C30H30N4O4	510.22672	HMDB00579	PFEM_hmdb_metabocards_official	NA	NA
+MJ075656	8-Hydroxy-2,6-dimethyl-2-octenoic acid, 8-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C22H38O13	510.231241	NA	MeJP	NA	NA
+PJ003287	SLEY 	C23H34N4O9	510.2326	NA	PeJP	NA	NA
+PJ003288	AHHF 	C24H30N8O5	510.2339	NA	PeJP	NA	NA
+MJ075657	Flordipine 	C26H33F3N2O5	510.234156	NA	MeJP	NA	NA
+MJ075658	Cezomycin; 3-Hydroxy 	C28H34N2O7	510.236601	NA	MeJP	NA	NA
+MJ075659	Manumycin B 	C28H34N2O7	510.236601	NA	MeJP	NA	NA
+PJ003289	SNKY 	C22H34N6O8	510.2438	NA	PeJP	NA	NA
+MJ075660	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 2,7,9-Tri-Ac 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075661	2,19:4,18:11,16:15,16-Tetraepoxy-3,6,15,19-clerodanetetrol, 19-(2-Methylpropanoyl), 6-Ac 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075662	2,5,9,10,11,20-Hexahydroxy-3-taxen-13-one, 2,9,10-Tri-Ac 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075663	4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 3,6,19-Tri-Ac 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075664	6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075665	6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075666	9,11-Dihydroxy-15-oxo-16-kauren-19-oic acid, ?-D-Glucopyranosyl ester 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075667	Farnesin; 15-O-?-D-Glucopyranoside 	C26H38O10	510.246497	NA	MeJP	NA	NA
+MJ075668	Stercuronium(1+); Iodide 	C26H43IN2	510.247092	NA	MeJP	NA	NA
+PJ003290	PTFF 	C27H34N4O6	510.2479	NA	PeJP	NA	NA
+PJ003291	VVMY 	C24H38N4O6S	510.2512	NA	PeJP	NA	NA
+PJ003292	VQQH 	C21H34N8O7	510.2551	NA	PeJP	NA	NA
+MJ075669	2,3-Dihydroxy-6-oxo-24-nor-1,3,5(10),7-friedelatetraene-23,29-dioic acid; 29-Me ester 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075670	3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid, 3,15-Diketone 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075671	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 15-Cinnamoyl 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075672	4,5-Dihydro-9-hydroxy-5-myrtenylatripliciolide; 8-Angeloyl 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075673	7,8-Epoxy-15-hydroxy-3,12,23-trioxo-9(11),20(22)-lanostadien-26-oic acid, 15-Ketone 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075674	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Benzoyl, 12-Ac 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075675	Azadirone; 6?-Acetoxy, 14?,15?-epoxide 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075676	Bractatin; 8,8a?-Dihydro, 8?-methoxy, 1-Me ether 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075677	Furanoganoderic acid 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075678	Physagulin A 	C30H38O7	510.261753	NA	MeJP	NA	NA
+MJ075679	Pungiolide A; 2',3'-Dihydro 	C30H38O7	510.261753	NA	MeJP	NA	NA
+C18001	Nebramycin factor 5'	C19H38N6O10	510.2649	NA	KEGG	NA	NA
+MJ075680	Tobramycin; 2'-N-Carbamoyl 	C19H38N6O10	510.264941	NA	MeJP	NA	NA
+MJ075681	Tobramycin; 6''-N-Carbamoyl 	C19H38N6O10	510.264941	NA	MeJP	NA	NA
+MJ075682	Tobramycin; 6''-O-Carbamoyl 	C19H38N6O10	510.264941	NA	MeJP	NA	NA
+MJ075683	Spirost-5-ene-1,3-diol, 1-O-Sulfate 	C27H42O7S	510.265124	NA	MeJP	NA	NA
+PJ003293	AQHR 	C20H34N10O6	510.2663	NA	PeJP	NA	NA
+3746	NA	PGAIPG	510.267	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ075684	Alteramide A 	C29H38N2O6	510.272986	NA	MeJP	NA	NA
+MJ075685	Atrasentan 	C29H38N2O6	510.272986	NA	MeJP	NA	NA
+MJ075686	Catacandin; Catacandin A 	C29H38N2O6	510.272986	NA	MeJP	NA	NA
+MJ075687	Catacandin; Catacandin B 	C29H38N2O6	510.272986	NA	MeJP	NA	NA
+MJ075688	Maltophilin 	C29H38N2O6	510.272986	NA	MeJP	NA	NA
+MJ075689	Sarcodictyin A; Et ester analogue 	C29H38N2O6	510.272986	NA	MeJP	NA	NA
+PJ003294	LLEH 	C23H38N6O7	510.2802	NA	PeJP	NA	NA
+MJ075690	2,3,14,20,22,25-Hexahydroxy-6-oxocholest-7-en-26-oic acid 	C27H42O9	510.282882	NA	MeJP	NA	NA
+MJ075691	4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), 12-Ac 	C27H42O9	510.282882	NA	MeJP	NA	NA
+MJ075692	4,5-Epoxy-1(10),11(13)-germacradiene-9,12,14,15-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 9-(3-methylbutanoyl), 12-Ac 	C27H42O9	510.282882	NA	MeJP	NA	NA
+MJ075693	Neohumidin 	C27H42O9	510.282882	NA	MeJP	NA	NA
+MJ075694	Pleuromutilin; O1'-?-D-Xylopyranoside 	C27H42O9	510.282882	NA	MeJP	NA	NA
+MJ075695	Soraphen A; 12,13-Dihydro, 13?-hydroxy,10,11-bis-O-de-Me 	C27H42O9	510.282882	NA	MeJP	NA	NA
+MJ075696	Spirost-25(27)-ene-1,2,3,4,5,6,7-heptol 	C27H42O9	510.282882	NA	MeJP	NA	NA
+PJ003295	VVFF 	C28H38N4O5	510.2842	NA	PeJP	NA	NA
+PJ003296	AAPPR 	C22H38N8O6	510.2915	NA	PeJP	NA	NA
+MJ075697	Neothiobinupharidine; 6'-Hydroxy 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075698	Neothiobinupharidine; 6-Hydroxy 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075699	Neothiobinupharidine; S-Oxide 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075700	Thiobinupharidine; 1,1'-Diepimer, S-oxide (?-) 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075701	Thiobinupharidine; 1,1'-Diepimer, S-oxide (?-) 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075702	Thiobinupharidine; 6'-Hydroxy 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075703	Thiobinupharidine; 6-Hydroxy 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075704	Thiobinupharidine; S-Oxide (?-) 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075705	Thionuphlutine B; 6-Hydroxy 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075706	Thionuphlutine B; ?-S-Oxide 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075707	Thionuphlutine B; ?-S-Oxide 	C30H42N2O3S	510.291613	NA	MeJP	NA	NA
+MJ075708	Deacylbengazole C; O10-Tridecanoyl 	C26H42N2O8	510.294116	NA	MeJP	NA	NA
+MJ075709	12,14-Labdadiene-1,8,18-triol, 18-(4-Hydroxy-E-cinnamoyl), 1-Ac 	C31H42O6	510.298139	NA	MeJP	NA	NA
+MJ075710	12,14-Labdadiene-1,8,18-triol, 18-(4-Hydroxy-Z-cinnamoyl), 1-Ac 	C31H42O6	510.298139	NA	MeJP	NA	NA
+MJ075711	Helvolic acid; O6-Deacetoxy 	C31H42O6	510.298139	NA	MeJP	NA	NA
+MJ075712	Nemorosinic acid B 	C31H42O6	510.298139	NA	MeJP	NA	NA
+MJ075713	Usambarensine; 6',10-Dimethoxy, 1'S,2,3,4-tetrahydro, N2'-Me 	C32H38N4O2	510.299476	NA	MeJP	NA	NA
+PJ003297	AKHR 	C21H38N10O5	510.3027	NA	PeJP	NA	NA
+MJ075714	N-(1-Oxo-2-propylpentyl)-L-?-aspartyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-L-prolinamide; Me ester 	C24H42N6O6	510.316583	NA	MeJP	NA	NA
+PJ003298	GPPLK 	C24H42N6O6	510.3166	NA	PeJP	NA	NA
+MJ075715	2,3,11,14,20,22,24-Heptahydroxyergost-7-en-6-one 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075716	2,3,11,14,20,22,25-Heptahydroxyergost-7-en-6-one 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075717	2,3,14,20,22,24,25-Heptahydroxyergost-7-en-6-one 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075718	2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075719	2,3,5,14,20,22,26-Heptahydroxyergost-7-en-6-one 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075720	3,14-Dihydroxypregnan-20-one, 3-O-(3-O-Methyl-?-D-glucopyranoside) 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075721	Pregn-5-ene-3,12,14,17,20-pentol, 3-O-?-D-Cymaropyranoside 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075722	Pregnane-3,8,12,14,17,20-hexol, 12-(3-Methylbutanoyl), 20-Ac 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075723	Pregnane-3,8,12,14,17,20-hexol, 20-(2-Methylbutanoyl), 12-Ac 	C28H46O8	510.319268	NA	MeJP	NA	NA
+MJ075724	Stemodin; 16-O-(6-Acetyl-?-D-glucopyranoside) 	C28H46O8	510.319268	NA	MeJP	NA	NA
+PJ003299	VKKH 	C23H42N8O5	510.3278	NA	PeJP	NA	NA
+MJ075725	24,25-Epoxy-23-hydroxy-11,13(17)-protostadiene-3,16-dione, Ac 	C32H46O5	510.334524	NA	MeJP	NA	NA
+MJ075726	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ketone, 15-Ac 	C32H46O5	510.334524	NA	MeJP	NA	NA
+MJ075727	3,18-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?18 Lactone, 3-Ac 	C32H46O5	510.334524	NA	MeJP	NA	NA
+MJ075728	Leptofuranin A; 24-Aldehyde 	C32H46O5	510.334524	NA	MeJP	NA	NA
+MJ075729	Malaysic acid 	C29H50O7	510.355653	NA	MeJP	NA	NA
+MJ075730	17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol; 16-Oxo 	C33H50O4	510.37091	NA	MeJP	NA	NA
+MJ075731	Buxetine 	C32H50N2O3	510.382143	NA	MeJP	NA	NA
+MJ075732	8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Decanoyl 	C30H54O6	510.392039	NA	MeJP	NA	NA
+MJ075733	Stellettazole B 	C30H51N6O(+)	510.40461	NA	MeJP	NA	NA
+MJ075734	20(29)-Lupen-3-ol, 3-Oxobutanoyl 	C34H54O3	510.407295	NA	MeJP	NA	NA
+MJ075735	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Hexadecanoyl 	C34H54O3	510.407295	NA	MeJP	NA	NA
+MJ075736	Plakinamine C 	C33H54N2O2	510.418528	NA	MeJP	NA	NA
+HMDB07009	DG(14:0/14:1(9Z)/0:0)	C31H58O5	510.428436	NA	HMDB2010	NA	NA
+HMDB07037	DG(14:1(9Z)/14:0/0:0)	C31H58O5	510.428436	NA	HMDB2010	NA	NA
+MJ075737	Thonzonium(1+) 	C32H55N4O(+)	510.429762	NA	MeJP	NA	NA
+MJ075738	12-Ursen-3-ol, O-(3-Methylbutanoyl) 	C35H58O2	510.443681	NA	MeJP	NA	NA
+MJ075739	20(29)-Lupen-3-ol, 3-Methylbutanoyl 	C35H58O2	510.443681	NA	MeJP	NA	NA
+MJ075740	20(30)-Taraxasten-3-ol, 3-Methylbutanoyl 	C35H58O2	510.443681	NA	MeJP	NA	NA
+MJ075741	23-Ethyl-24-methylenecycloartan-3-ol, Ac 	C35H58O2	510.443681	NA	MeJP	NA	NA
+MJ075742	Cyclopodmenol, Ac 	C35H58O2	510.443681	NA	MeJP	NA	NA
+MJ075743	Tryptamine; Nb-Tetracosanoyl 	C34H58N2O	510.454914	NA	MeJP	NA	NA
+MJ075744	14,15-Dimethyltriacontanedioic acid 	C32H62O4	510.46481	NA	MeJP	NA	NA
+MJ075745	15,16-Dimethyltriacontanedioic acid 	C32H62O4	510.46481	NA	MeJP	NA	NA
+MJ075746	15,19-Hexatriacontadiene-1,11-diyn-3-ol 	C36H62O	510.480066	NA	MeJP	NA	NA
+MJ075747	Budmunchiamine K; N9-De-Me, 6'-hydroxy 	C30H62N4O2	510.487277	NA	MeJP	NA	NA
+MJ075748	12,21-Tetratriacontanediol 	C34H70O2	510.537581	NA	MeJP	NA	NA
+MJ075749	6,8-Tetratriacontanediol 	C34H70O2	510.537581	NA	MeJP	NA	NA
+MJ075750	7,9-Tetratriacontanediol 	C34H70O2	510.537581	NA	MeJP	NA	NA
+MJ075751	4-[[4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl]azo]-1,3-benzenedisulfonic acid 	C14H14N3O12PS2	510.97565	NA	MeJP	NA	NA
+C13745	Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid	C14H14N3O12PS2	510.9757	NA	KEGG	NA	NA
+MJ075752	Cefmenoxime 	C16H17N9O5S3	511.051476	NA	MeJP	NA	NA
+C16429	trans-Zeatin riboside diphosphate	C15H23N5O11P2	511.0869	NA	KEGG	NA	NA
+MetaCyc03752	trans-zeatin riboside diphosphate [ZDP;zeatin diphosphate;tZRDP;]	C15H23N5O11P2	511.08693	NA	metacyc	NA	NA
+PJ003300	GCCDD 	C16H25N5O10S2	511.1043	NA	PeJP	NA	NA
+C15974	3-Methyl-1-hydroxybutyl-ThPP	C17H29N4O8P2S	511.1181	NA	KEGG	NA	NA
+C15975	[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]	C13H24NO2S2R	511.1181	NA	KEGG	NA	NA
+C15978	2-Methyl-1-hydroxybutyl-ThPP	C17H29N4O8P2S	511.1181	NA	KEGG	NA	NA
+C15979	[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase]	C13H24NO2S2R	511.1181	NA	KEGG	NA	NA
+HMDB06865	3-Methyl-1-hydroxybutyl-ThPP	C17H29N4O8P2S	511.11813	http://www.hmdb.ca/metabolites/HMDB06865	HMDB	NA	NA
+HMDB06865	3-Methyl-1-hydroxybutyl-ThPP	C17H29N4O8P2S	511.11813	HMDB06865	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06865	3-Methyl-1-hydroxybutyl-ThPP	C17H29N4O8P2S	511.118134	NA	HMDB2010	NA	NA
+HMDB12310	2-Methyl-1-hydroxybutyl-ThPP	C17H29N4O8P2S	511.118134	NA	HMDB2010	NA	NA
+PJ003301	SPCCC 	C17H29N5O7S3	511.1229	NA	PeJP	NA	NA
+MJ075753	Indocarbazostatin 	C28H21N3O7	511.13795	NA	MeJP	NA	NA
+PJ003302	GSCDM 	C17H29N5O9S2	511.1407	NA	PeJP	NA	NA
+MJ075754	6-(2,6-Dichlorophenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one 	C26H27Cl2N5O2	511.15418	NA	MeJP	NA	NA
+MJ075755	Nikkomycin X; 4imidazole-Carboxylic acid 	C20H25N5O11	511.155056	NA	MeJP	NA	NA
+PJ003303	TCCW 	C21H29N5O6S2	511.1559	NA	PeJP	NA	NA
+PJ003304	SSSCE 	C17H29N5O11S	511.1584	NA	PeJP	NA	NA
+PJ003305	CQMM 	C18H33N5O6S3	511.1593	NA	PeJP	NA	NA
+MJ075756	Hygromycin A 	C23H29NO12	511.168975	NA	MeJP	NA	NA
+C17579	Hygromycin A	C23H29NO12	511.169	NA	KEGG	NA	NA
+PJ003306	CCMR 	C17H33N7O5S3	511.1706	NA	PeJP	NA	NA
+PJ003307	CNEF 	C21H29N5O8S	511.1737	NA	PeJP	NA	NA
+PJ003308	GSSMM 	C18H33N5O8S2	511.1771	NA	PeJP	NA	NA
+MJ075757	Daunomycin; 11-Deoxy 	C27H29NO9	511.184231	NA	MeJP	NA	NA
+MJ075758	Ethyl O-[N-(p-carboxyphenyl)carbamoyl]mycophenolate 	C27H29NO9	511.184231	NA	MeJP	NA	NA
+MJ075759	Stephavanine; 4'-Me ether 	C27H29NO9	511.184231	NA	MeJP	NA	NA
+PJ003309	GCFW 	C25H29N5O5S	511.189	NA	PeJP	NA	NA
+HMDB02235	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C20H33NO14	511.19009	http://www.hmdb.ca/metabolites/HMDB02235	HMDB	NA	NA
+HMDB02276	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C20H33NO14	511.19009	http://www.hmdb.ca/metabolites/HMDB02276	HMDB	NA	NA
+HMDB02235	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C20H33NO14	511.19009	HMDB02235	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02276	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C20H33NO14	511.19009	HMDB02276	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02235	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C20H33NO14	511.190094	NA	HMDB2010	NA	NA
+HMDB02276	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol	C20H33NO14	511.190094	NA	HMDB2010	NA	NA
+MJ075760	Dapiramicin A 	C21H29N5O10	511.191442	NA	MeJP	NA	NA
+PJ003310	SNEY 	C21H29N5O10	511.1915	NA	PeJP	NA	NA
+PJ003311	SSSTM 	C18H33N5O10S	511.1948	NA	PeJP	NA	NA
+PJ003312	CKMM 	C19H37N5O5S3	511.1957	NA	PeJP	NA	NA
+PJ003313	GSPDH 	C20H29N7O9	511.2027	NA	PeJP	NA	NA
+MJ075761	[2-[(9-Methoxy-7-methyl-5-oxo-5H-furo[3,2-g][1]benzopyran-4-yl)oxy]ethyl]trimethylammonium(1+); Theophylline salt 	C25H29N5O7	511.206698	NA	MeJP	NA	NA
+PJ003314	GSYW 	C25H29N5O7	511.2067	NA	PeJP	NA	NA
+PJ003315	AQMY 	C22H33N5O7S	511.2101	NA	PeJP	NA	NA
+PJ003316	NNQH 	C19H29N9O8	511.2139	NA	PeJP	NA	NA
+PJ003317	GGGGGAH 	C19H29N9O8	511.214	NA	PeJP	NA	NA
+MJ075762	Rhodomycin B; 1,12-Dideoxy 	C28H33NO8	511.220617	NA	MeJP	NA	NA
+PJ003318	ACRY 	C21H33N7O6S	511.2213	NA	PeJP	NA	NA
+C11629	omega-Carboxy-N-acetyl-LTE4	C25H37NO8S	511.224	NA	KEGG	NA	NA
+PJ003319	SDKY 	C22H33N5O9	511.2278	NA	PeJP	NA	NA
+PJ003320	SPPPD 	C22H33N5O9	511.2279	NA	PeJP	NA	NA
+MJ075763	Verruculogen 	C27H33N3O7	511.23185	NA	MeJP	NA	NA
+PJ003321	PCHR 	C20H33N9O5S	511.2326	NA	PeJP	NA	NA
+PJ003322	SSRY 	C21H33N7O8	511.2391	NA	PeJP	NA	NA
+MJ075764	Aureofuscin 	C25H37NO10	511.241746	NA	MeJP	NA	NA
+MJ075765	?-Casorphin 	C26H33N5O6	511.243083	NA	MeJP	NA	NA
+PJ003323	AQFF 	C26H33N5O6	511.2431	NA	PeJP	NA	NA
+PJ003324	AKMY 	C23H37N5O6S	511.2465	NA	PeJP	NA	NA
+MJ075766	Upidosin 	C31H33N3O4	511.247106	NA	MeJP	NA	NA
+PJ003325	AEHR 	C20H33N9O7	511.2503	NA	PeJP	NA	NA
+PJ003326	GLHW 	C25H33N7O5	511.2543	NA	PeJP	NA	NA
+MJ075767	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-(3-Pyridinecarbonyl), 12-Ac 	C29H37NO7	511.257002	NA	MeJP	NA	NA
+MJ075768	Tubacetine 	C29H37NO7	511.257002	NA	MeJP	NA	NA
+PJ003327	PKMH 	C22H37N7O5S	511.2577	NA	PeJP	NA	NA
+PJ003328	TTKY 	C23H37N5O8	511.2642	NA	PeJP	NA	NA
+2914	neuropeptide from eyestalk of Macrobrachium rosenb	NRNFLRFG	511.2644	MH2+	Inhouse_peptide	NA	peptide
+EUR916	Lyso PE 22:6 [M-H-CH3]-	C27H44NO7P	511.269892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR916	Lyso PE 22:6 [M-H-CH3]-	C27H44NO7P	511.269892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR916	Lyso PE 22:6 [M-H-CH3]-	C27H44NO7P	511.269892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR916	Lyso PE 22:6 [M-H-CH3]-	C27H44NO7P	511.269892	masses lipides attendues	Inhousejuil11	NA	NA
+PJ003329	VKEH 	C22H37N7O7	511.2755	NA	PeJP	NA	NA
+MJ075769	Antho-K amide 	C27H37N5O5	511.279469	NA	MeJP	NA	NA
+PJ003330	PPLW 	C27H37N5O5	511.2795	NA	PeJP	NA	NA
+2770	NA	WQPPRARI	511.282	MH2+	Inhouse_peptide	NA	peptide
+PJ003331	SLHR 	C21H37N9O6	511.2867	NA	PeJP	NA	NA
+EUR732	Lyso PC 14:1 [M+FA-H]-	C22H44NO7P	511.290422	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR732	Lyso PC 14:1 [M+FA-H]-	C22H44NO7P	511.290422	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR732	Lyso PC 14:1 [M+FA-H]-	C22H44NO7P	511.290422	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR732	Lyso PC 14:1 [M+FA-H]-	C22H44NO7P	511.290422	masses lipides attendues	Inhousejuil11	NA	NA
+EUR833	Lyso PE 16:1 [M-H+acetate]-	C21H42NO7P	511.290992	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR833	Lyso PE 16:1 [M-H+acetate]-	C21H42NO7P	511.290992	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR833	Lyso PE 16:1 [M-H+acetate]-	C21H42NO7P	511.290992	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR833	Lyso PE 16:1 [M-H+acetate]-	C21H42NO7P	511.290992	masses lipides attendues	Inhousejuil11	NA	NA
+MJ075770	Cyclozoanthamine 	C30H41NO6	511.293388	NA	MeJP	NA	NA
+MJ075771	Cytochalasin O; 6,18-Diepimer, 17-deoxo 	C30H41NO6	511.293388	NA	MeJP	NA	NA
+MJ075772	Zoanthamine; 11?-Hydroxy 	C30H41NO6	511.293388	NA	MeJP	NA	NA
+MJ075773	Zoanthamine; 19-Epimer, 26-hydroxy 	C30H41NO6	511.293388	NA	MeJP	NA	NA
+MJ075774	Zoanthamine; 26-Hydroxy 	C30H41NO6	511.293388	NA	MeJP	NA	NA
+PJ003332	SPPVL 	C24H41N5O7	511.3006	NA	PeJP	NA	NA
+MJ075775	Antibiotic WA 3854; Antibiotic WA 3854B 	C29H41N3O5	511.304621	NA	MeJP	NA	NA
+MJ075776	Leucascandrolide B 	C27H45NO8	511.314517	NA	MeJP	NA	NA
+MJ075777	Tumonoic acid C 	C27H45NO8	511.314517	NA	MeJP	NA	NA
+PJ003333	GPLLL 	C25H45N5O6	511.337	NA	PeJP	NA	NA
+MJ075778	Daphmacrine 	C32H49NO4	511.366159	NA	MeJP	NA	NA
+MJ075779	Naboctate 	C33H53NO3	511.402544	NA	MeJP	NA	NA
+HMDB11759	Cer(d18:0/14:0)	C32H65NO3	511.49646	NA	HMDB2010	NA	NA
+MJ075780	Spongiadioxin A 	C12H4Br4O3	511.689394	NA	MeJP	NA	NA
+MJ075781	2',3,4',5-Tetrabromo-2-hydroxydiphenyl ether; Me ether 	C13H8Br4O2	511.72578	NA	MeJP	NA	NA
+MJ075782	2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 4-Debromo, Me ether 	C13H8Br4O2	511.72578	NA	MeJP	NA	NA
+MJ075783	2,2',4,4'-Tetrabromo-6-hydroxydiphenyl ether; Me ether 	C13H8Br4O2	511.72578	NA	MeJP	NA	NA
+MJ075784	Bis(3,5-dibromo-4-hydroxyphenyl)methane 	C13H8Br4O2	511.72578	NA	MeJP	NA	NA
+2909	neuropeptide from eyestalk of Macrobrachium rosenb	DRNFLRFG	511.7564	MH2+	Inhouse_peptide	NA	peptide
+MJ075785	2,4',5-Tribromo-2',3',6-trihydroxy-3,6'-bis(hydroxymethyl)diphenyl ether 	C14H11Br3O6	511.810576	NA	MeJP	NA	NA
+MJ075786	Dimecolonium(2+); Diiodide 	C14H30I2N2O2	512.039665	NA	MeJP	NA	NA
+C08102	Cefamandole nafate	C19H17N6O6S2	512.0549	NA	KEGG	NA	NA
+C15359	6-(Dibromomethylene)-17beta-hydroxy-androst-4-en-3-one propionate	C23H30Br2O3	512.0562	NA	KEGG	NA	NA
+MJ075787	Diphlorethohydroxycarmalol 	C24H16O13	512.05909	NA	MeJP	NA	NA
+FL3FAACSS001	Vitexin 7-O-sulfate	C21H20O13S	512.06246	-	knapsack	NA	NA
+FL3FAACSS002	Isovitexin 7-O-sulfate	C21H20O13S	512.06246	-	knapsack	NA	NA
+FL5FA9GSS001	3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid	C21H20O13S	512.06246	776278-57-0	knapsack	NA	NA
+MJ075788	3,5,7-Trihydroxyflavone-8-sulfonic acid; 3-O-?-D-Glucopyranoside 	C21H20O13S	512.062461	NA	MeJP	NA	NA
+MJ075789	4',5,7-Trihydroxyflavone; 7-O-?-D-Galactopyranoside, O-sulfate 	C21H20O13S	512.062461	NA	MeJP	NA	NA
+MJ075790	Afzelin; O''-Sulfate 	C21H20O13S	512.062461	NA	MeJP	NA	NA
+MJ075791	Cosmosiin; 6''-Sulfate 	C21H20O13S	512.062461	NA	MeJP	NA	NA
+MJ075792	Isovitexin; 7-O-Sulfate 	C21H20O13S	512.062461	NA	MeJP	NA	NA
+MJ075793	Vitexin; 7-O-Sulfate 	C21H20O13S	512.062461	NA	MeJP	NA	NA
+MJ075794	Napyradiomycin C1; ?17(19)Isomer, 16-chloro 	C25H27Cl3O5	512.092407	NA	MeJP	NA	NA
+MJ075795	Methyl 10,10a-dihydro-3-[5-hydroxy-4-(methoxycarbonyl)naphtho[1,2-b]furan-2-yl]-5,10-dioxo-4H-naphtho[2,3-b]pyran-4a(5H)-carboxylate 	C29H20O9	512.110732	NA	MeJP	NA	NA
+MJ075796	Decamethonium(2+); Diiodide 	C16H38I2N2	512.112436	NA	MeJP	NA	NA
+MJ075797	5-(Hydroxymethyl)-1,2,3-benzenetriol; 1'-O-(3,4,5-Trihydroxybenzoyl), 2-O-(6-O-acetyl-?-D-glucopyranoside) 	C22H24O14	512.116605	NA	MeJP	NA	NA
+PJ003334	GCCCQ 	C16H28N6O7S3	512.1182	NA	PeJP	NA	NA
+MJ075798	3',4,4',5-Tetrahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4'-Methylene, 4-Me ether, 5-O-?-D-glucopyranoside 	C26H24O11	512.131861	NA	MeJP	NA	NA
+MJ075799	3-Hydroxyumbilicaric acid; 3-Me ether 	C26H24O11	512.131861	NA	MeJP	NA	NA
+MJ075800	Diphyllin; O-?-D-Apiofuranoside 	C26H24O11	512.131861	NA	MeJP	NA	NA
+MJ075801	Diphyllin; O-D-Xylopyranoside 	C26H24O11	512.131861	NA	MeJP	NA	NA
+MJ075802	Gemixanthone A 	C26H24O11	512.131861	NA	MeJP	NA	NA
+MJ075803	Hiascic acid; 4,5-Di-Me ether 	C26H24O11	512.131861	NA	MeJP	NA	NA
+PJ003335	SSCCN 	C16H28N6O9S2	512.1359	NA	PeJP	NA	NA
+MJ075804	Anziaic acid; 3,5-Dichloro, 2'-Me ether 	C25H30Cl2O7	512.136858	NA	MeJP	NA	NA
+PJ003336	CEMM 	C18H32N4O7S3	512.1433	NA	PeJP	NA	NA
+MJ075805	6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9-(hydroxyacetyl), 11-Ac 	C24H29ClO10	512.144924	NA	MeJP	NA	NA
+MJ075806	3,4-Dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid; Di-Me ester 	C30H24O8	512.147117	NA	MeJP	NA	NA
+MJ075807	Chrysoaphin fb 	C30H24O8	512.147117	NA	MeJP	NA	NA
+MJ075808	Gnetuhainin F 	C30H24O8	512.147117	NA	MeJP	NA	NA
+MJ075809	Lophirone C; 2',3'-Dihydro 	C30H24O8	512.147117	NA	MeJP	NA	NA
+MJ075810	Lophirone H 	C30H24O8	512.147117	NA	MeJP	NA	NA
+MJ075811	Ventilein A 	C30H24O8	512.147117	NA	MeJP	NA	NA
+MJ075812	3-(3,4-Dihydroxyphenyl)-1,2-propanediol, 3'-Me ether, 2-O-[(3,4,5-trihydroxybenzoyl)(?6)-?-D-glucopyranoside] 	C23H28O13	512.15299	NA	MeJP	NA	NA
+MJ075813	7-Hydroxy-2H-1-benzopyran-2-one; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C23H28O13	512.15299	NA	MeJP	NA	NA
+MJ075814	Catalpol; 10-(4-Hydroxy-3-methoxybenzoyl) 	C23H28O13	512.15299	NA	MeJP	NA	NA
+MJ075815	Catalpol; 6-(4-Hydroxy-3-methoxybenzoyl) 	C23H28O13	512.15299	NA	MeJP	NA	NA
+MJ075816	Plumieride; 13-Ac 	C23H28O13	512.15299	NA	MeJP	NA	NA
+PJ003337	GCCCK 	C17H32N6O6S3	512.1546	NA	PeJP	NA	NA
+PJ003338	CDEF 	C21H28N4O9S	512.1577	NA	PeJP	NA	NA
+MJ075817	2-[[[4-[(2,4-Diamino-6-pteridinyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl]carbonyl]amino]hexanedioic acid 	C22H24N8O5S	512.159036	NA	MeJP	NA	NA
+MJ075818	Pancratistatin, 7-Deoxy, O1-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C22H28N2O12	512.164224	NA	MeJP	NA	NA
+FL5FABGP0001	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside	C27H28O10	512.16824	143601-07-4	knapsack	NA	NA
+MJ075819	Citrusinol; 4'-Me ether, 3-O-?-L-rhamnopyranoside 	C27H28O10	512.168247	NA	MeJP	NA	NA
+PJ003339	CNNY 	C20H28N6O8S	512.1689	NA	PeJP	NA	NA
+PJ003340	GGCNY 	C20H28N6O8S	512.169	NA	PeJP	NA	NA
+PJ003341	SDEY 	C21H28N4O11	512.1755	NA	PeJP	NA	NA
+PJ003342	PCMY 	C22H32N4O6S2	512.1763	NA	PeJP	NA	NA
+MJ075820	Lyalosidic acid 	C26H28N2O9	512.17948	NA	MeJP	NA	NA
+MJ075821	Nauclecoside 	C26H28N2O9	512.17948	NA	MeJP	NA	NA
+MJ075822	Ophiorine A 	C26H28N2O9	512.17948	NA	MeJP	NA	NA
+MJ075823	Pumiloside 	C26H28N2O9	512.17948	NA	MeJP	NA	NA
+C16723	Pumiloside	C26H28N2O9	512.1795	NA	KEGG	NA	NA
+PJ003343	TMMM 	C19H36N4O6S3	512.1797	NA	PeJP	NA	NA
+MJ075824	6-Chloro-4,8-epoxy-2,9,14,17-tetrahydroxy-5(16),11-briaradien-18,7-olide; 2-Propanoyl, 14-Ac 	C25H33ClO9	512.18131	NA	MeJP	NA	NA
+MJ075825	Punaglandin 3; 10?,11?-Epoxide 	C25H33ClO9	512.18131	NA	MeJP	NA	NA
+MJ075826	Palodesangrens; Palodesangren E 	C31H28O7	512.183503	NA	MeJP	NA	NA
+MJ075827	Sorocenol B 	C31H28O7	512.183503	NA	MeJP	NA	NA
+MJ075828	Ajugol; 6-O-(3,4-Dimethoxybenzoyl) 	C24H32O12	512.189376	NA	MeJP	NA	NA
+PJ003344	AEMY 	C22H32N4O8S	512.1941	NA	PeJP	NA	NA
+MJ075829	Clausenamine A 	C30H28N2O6	512.194736	NA	MeJP	NA	NA
+PJ003345	NNEH 	C19H28N8O9	512.1979	NA	PeJP	NA	NA
+PJ003346	GGNEH 	C19H28N8O9	512.198	NA	PeJP	NA	NA
+MJ075830	25,26-Dihydrophysalin C 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075831	?-Alectoronic acid 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075832	Alectoronic acid 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075833	Bisvertinolone 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075834	Carapolide B 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075835	Physalin C; 25?,27-Dihydro 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075836	Physalin L; 7-Deoxy 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075837	Territrem C 	C28H32O9	512.204632	NA	MeJP	NA	NA
+MJ075838	Walsuranolide; 11?-Acetoxy 	C28H32O9	512.204632	NA	MeJP	NA	NA
+PJ003347	PEMH 	C21H32N6O7S	512.2053	NA	PeJP	NA	NA
+MJ075839	Staurosporine; 7-Methoxy, 4'-N-hydroxy 	C29H28N4O5	512.20597	NA	MeJP	NA	NA
+PJ003348	PCFF 	C26H32N4O5S	512.2094	NA	PeJP	NA	NA
+PJ003349	TTEY 	C22H32N4O10	512.2119	NA	PeJP	NA	NA
+PJ003350	CLMF 	C23H36N4O5S2	512.2127	NA	PeJP	NA	NA
+PJ003351	GNHW 	C23H28N8O6	512.2132	NA	PeJP	NA	NA
+3250	beta-casomorphin	YPSF	512.215	celiac toxic	Inhouse_peptide	NA	peptide
+MJ075840	Aplidite A 	C27H32N2O8	512.215866	NA	MeJP	NA	NA
+MJ075841	Correantoside 	C27H32N2O8	512.215866	NA	MeJP	NA	NA
+MJ075842	Lobatamide A 	C27H32N2O8	512.215866	NA	MeJP	NA	NA
+MJ075843	Vomilenine; O-?-D-Glucopyranoside 	C27H32N2O8	512.215866	NA	MeJP	NA	NA
+MetaCyc03753	raucaffricine []	C27H32N2O8	512.215866	31282-07-2	metacyc	NA	NA
+C02074	Raucaffricine	C27H32N2O8	512.2159	NA	KEGG	NA	NA
+C02075	Retinyl ester	C21H29O2R	512.2159	NA	KEGG	NA	NA
+MJ075844	Homoisosocotrin-4'-ol 	C32H32O6	512.219888	NA	MeJP	NA	NA
+MJ075845	Betamethasone; 21-(2-Hydroxybenzoyl) 	C29H33FO7	512.221031	NA	MeJP	NA	NA
+PJ003352	VEEH 	C21H32N6O9	512.2231	NA	PeJP	NA	NA
+MJ075846	Amareloside 	C25H36O11	512.225761	NA	MeJP	NA	NA
+MJ075847	Monodontamide B 	C26H32N4O7	512.227099	NA	MeJP	NA	NA
+PJ003353	APYY 	C26H32N4O7	512.2271	NA	PeJP	NA	NA
+PJ003354	SLMY 	C23H36N4O7S	512.2305	NA	PeJP	NA	NA
+MJ075848	Petromurin A 	C31H32N2O5	512.231122	NA	MeJP	NA	NA
+MJ075849	Ribostamycin; N3-Carboxymethyl 	C19H36N4O12	512.232972	NA	MeJP	NA	NA
+PJ003355	NDKH 	C20H32N8O8	512.2343	NA	PeJP	NA	NA
+PJ003356	PPNW 	C25H32N6O6	512.2384	NA	PeJP	NA	NA
+C14511	Bisphenol A glycidylmethacrylate	C29H36O8	512.241	NA	KEGG	NA	NA
+MJ075850	3,4-Epoxy-6,8,11-trihydroxy-13-cleroden-15,16-olide, 6-Benzoyl, 11-Ac 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075851	4,18-Epoxy-6,8,19-trihydroxy-13-cleroden-15,16-olide, 6-Benzoyl, 19-Ac 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075852	4,18:11,16:15,16-Triepoxy-6,7,13-trihydroxy-1-clerodanone, 6-Cinnamoyl (Z-) 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075853	4,18:11,16:15,16-Triepoxy-6,7,13-trihydroxy-1-clerodanone, 6-Cinnamoyl(E-) 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075854	8,13-Epoxy-6,11-dihydroxy-3-oxo-15,16-clerodanolide, 6-Benzoyl, 11-Ac 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075855	Angustinolide 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075856	Arisugacin E; 12a-Hydroxy, 3-Ac 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075857	Elaeodendroside D; 16,17-Didehydro 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075858	Naphthablin 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075859	Nimbin; 28-Alcohol 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075860	Prednisolone; 21-(6-Carboxy-3-cyclohexenecarboxylate) 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075861	Roridin H 	C29H36O8	512.241018	NA	MeJP	NA	NA
+MJ075862	Swietenolide; 6-Deoxy, Ac 	C29H36O8	512.241018	NA	MeJP	NA	NA
+PJ003357	SNHR 	C19H32N10O7	512.2456	NA	PeJP	NA	NA
+MJ075863	Abamagenin 	C28H42Cl2O4	512.246015	NA	MeJP	NA	NA
+MJ075864	19-Iodocholest-5-en-3-ol 	C27H45IO	512.251509	NA	MeJP	NA	NA
+MJ075865	Antibiotic TMC 1A 	C28H36N2O7	512.252251	NA	MeJP	NA	NA
+MJ075866	Antibiotic TMC 1B 	C28H36N2O7	512.252251	NA	MeJP	NA	NA
+MJ075867	Sarcodictyin A; 1?-Hydroxy, ?2-isomer 	C28H36N2O7	512.252251	NA	MeJP	NA	NA
+MJ075868	Sarcodictyin A; 3?-Hydroxy 	C28H36N2O7	512.252251	NA	MeJP	NA	NA
+MJ075869	Lipoxin C4; N-Deglutamyl 	C25H40N2O7S	512.255622	NA	MeJP	NA	NA
+MJ075870	Nimbocinol; 7-O-Benzoyl 	C33H36O5	512.256274	NA	MeJP	NA	NA
+PJ003358	GPPDK 	C22H36N6O8	512.2595	NA	PeJP	NA	NA
+MJ075871	11,16-Epoxy-15,17-dihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester 	C26H40O10	512.262147	NA	MeJP	NA	NA
+MJ075872	11,16-Epoxy-9,15-dihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester 	C26H40O10	512.262147	NA	MeJP	NA	NA
+MJ075873	2,6,19-Trihydroxy-8,13-labdadien-15,16-olide, 19-O-?-D-Glucopyranoside 	C26H40O10	512.262147	NA	MeJP	NA	NA
+MJ075874	3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide, 19-O-?-D-Glucopyranoside 	C26H40O10	512.262147	NA	MeJP	NA	NA
+MJ075875	7,20-Epoxy-16-kaurene-1,6,7,15-tetrol, 1-O-?-D-Glucopyranoside 	C26H40O10	512.262147	NA	MeJP	NA	NA
+MJ075876	Cuniloside 	C26H40O10	512.262147	NA	MeJP	NA	NA
+CJneg0637	Androsterone glucuronide [(M-H)+(HCOOH)]-	C26H39O10	512.262725	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0637	Androsterone glucuronide [(M-H)+(HCOOH)]-	C26H39O10	512.262725	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ075877	1-Alaninechlamydocin 	C27H36N4O6	512.263484	NA	MeJP	NA	NA
+PJ003359	ALFY 	C27H36N4O6	512.2635	NA	PeJP	NA	NA
+MJ075878	Chaetoglobosin A; 19-Deoxy 	C32H36N2O4	512.267507	NA	MeJP	NA	NA
+MJ075879	Chaetoglobosin B; 19-Deoxy 	C32H36N2O4	512.267507	NA	MeJP	NA	NA
+MJ075880	Chaetoglobosin J 	C32H36N2O4	512.267507	NA	MeJP	NA	NA
+C11301	Sulfoglycolithocholate	C26H42NO7S	512.2682	NA	KEGG	NA	NA
+MJ075881	Elastatinal A 	C21H36N8O7	512.270695	NA	MeJP	NA	NA
+PJ003360	GSPPR 	C21H36N8O7	512.2707	NA	PeJP	NA	NA
+PJ003361	PLHF 	C26H36N6O5	512.2747	NA	PeJP	NA	NA
+C09143	Pedilstatin	C30H40O7	512.2774	NA	KEGG	NA	NA
+MJ075882	1,2,9-Trihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 2-(2-Methylpropanoyl), 1-Ac 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075883	1,2,9-Trihydroxydihydro-?-agarofuran, 9-Cinnamoyl, 2-butanoyl, 1-Ac 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075884	12,17-Epoxy-2,3-dihydroxy-7,13-labdadien-15,12-olide, Diangeloyl 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075885	17-Hydroxyingenol; 20-Deoxy, 3,17-diangeloyl 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075886	3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid, 15-Ketone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075887	3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid, 3-Ketone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075888	3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 3,7,15-Triketone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075889	3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid, 3,15-Diketone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075890	4,7,27-Trihydroxy-1-oxowitha-2,5,24-trienolide, 7-Ac 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075891	5,6,7-Trihydroxy-12-oxo-16-cassanoic acid, 6-Cinnamoyl, Me ester 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075892	5,6-Epoxy-16,17-dihydroxy-1-oxowitha-2,24-dienolide, 16-Ac 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075893	7,12-Dihydroxymeliac-1-ene-3,15-dione, 1,2-Dihydro, di-Ac 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075894	7,8-Epoxy-15-hydroxy-3,12,23-trioxo-9(11),20(22)-lanostadien-26-oic acid 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075895	8,10,12-Trihydroxy-3-longipinen-5-one, Triangeloyl 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075896	Achyroclinopyrone; 3''-Methylachyroclinopyrone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075897	Acnistin D 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075898	Aestivalin 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075899	Anabsin 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075900	Chisocheton compound F; 23-Oxo 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075901	Ganosporelactone B; 3-Ketone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075902	Iochromolide 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075903	Kihadalactone A 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075904	Maritimolide 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075905	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075906	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Cinnamoyl 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075907	Salimuzzalin 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075908	Sodagnitin E; 12-Oxo, 3-ketone 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075909	Vilasinin; 1,3-Di-Ac 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075910	Withacnistin 	C30H40O7	512.277403	NA	MeJP	NA	NA
+MJ075911	Withanolide D; 18-Acetoxy, 5,6-deepoxy, 5,6-didehydro 	C30H40O7	512.277403	NA	MeJP	NA	NA
+PJ003362	LLMH 	C23H40N6O5S	512.2781	NA	PeJP	NA	NA
+MJ075912	22,23-Epoxycholest-7-ene-2,3,4-triol, 4-Sulfate 	C27H44O7S	512.280774	NA	MeJP	NA	NA
+MJ075913	3,6,20-Trihydroxycholest-9(11)-en-23-one, 3-O-Sulfate 	C27H44O7S	512.280774	NA	MeJP	NA	NA
+MJ075914	3,6,24-Trihydroxycholest-9(11)-en-23-one, 3-O-Sulfate 	C27H44O7S	512.280774	NA	MeJP	NA	NA
+MJ075915	Maltophilin; 14?-Alcohol 	C29H40N2O6	512.288637	NA	MeJP	NA	NA
+MJ075916	Talatizamine; O1,O18-Di-de-Me, 18-O-(2-aminobenzoyl) 	C29H40N2O6	512.288637	NA	MeJP	NA	NA
+PJ003363	APPTK 	C23H40N6O7	512.2959	NA	PeJP	NA	NA
+MJ075917	1,2,3,14,20,22,24,25-Octahydroxycholest-7-en-6-one 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075918	1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 5?-Hydroxy 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075919	2,3,11,14,20,22,24,25-Octahydroxycholest-7-en-6-one 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075920	2,3,11,14,20,22,25,26-Octahydroxycholest-7-en-6-one 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075921	2,3,5,14,20,22,24,25-Octahydroxycholest-7-en-6-one 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075922	Butyrolactol B 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075923	Cotylenin E; 6'-O-De-Me 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075924	Glycerol 1-alkanoates; Glycerol 1-O-(6Z,9Z,12Z,15Z-octadecatetraenoate), 3-O-?-D-Galactopyranoside 	C27H44O9	512.298533	NA	MeJP	NA	NA
+MJ075925	Muscoride A 	C28H40N4O5	512.29987	NA	MeJP	NA	NA
+MJ075926	Umespirone 	C28H40N4O5	512.29987	NA	MeJP	NA	NA
+MJ075927	?-Butyl-?-[[[2,2-dimethyl-1-[(methylamino)carbonyl]propyl]amino]carbonyl]-4'-fluoro-[1,1'-biphenyl]-4-hexanoic acid 	C30H41FN2O4	512.305036	NA	MeJP	NA	NA
+PJ003364	PLQR 	C22H40N8O6	512.3071	NA	PeJP	NA	NA
+MJ075928	3,22-Dihydroxy-11-oxo-12-oleanene-27,29-dioic acid, 29?22 Lactone, 27-Me ester 	C31H44O6	512.313789	NA	MeJP	NA	NA
+MJ075929	Anguinomycin A 	C31H44O6	512.313789	NA	MeJP	NA	NA
+MJ075930	Carindone 	C31H44O6	512.313789	NA	MeJP	NA	NA
+MJ075931	Pseudophrynamine A 	C32H40N4O2	512.315126	NA	MeJP	NA	NA
+MJ075932	6-Bromo-27-methyl-5,9-octacosadienoic acid 	C29H53BrO2	512.322893	NA	MeJP	NA	NA
+MJ075933	Ivarimod 	C30H44N2O5	512.325022	NA	MeJP	NA	NA
+3655	NA	IKPR	512.331	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ003365	GPVLK 	C24H44N6O6	512.3323	NA	PeJP	NA	NA
+MJ075934	Hemiasterlin C 	C29H44N4O4	512.336255	NA	MeJP	NA	NA
+PJ003366	PLKR 	C23H44N8O5	512.3435	NA	PeJP	NA	NA
+MJ075935	11,12-Epoxy-3-hydroxy-28,13-ursanolide, Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075936	12-Hydroxy-3-oxolanosta-8,24-dien-26-oic acid, Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075937	12-Hydroxy-3-oxolanosta-9(11),24-dien-26-oic acid, Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075938	17,23-Epoxy-3-hydroxycycloartan-26,23-olide, Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075939	2,3,19-Trihydroxy-12-ursen-28-oic acid, 28?19-Lactone, 2-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075940	24,25-Epoxy-23-hydroxyprotost-13(17)-ene-3,16-dione, Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075941	3,11-Dihydroxy-12-ursen-24-oic acid, 11-Ketone, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075942	3,11-Dihydroxy-12-ursen-28-oic acid, 11-Ketone, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075943	3,12,13-Trihydroxy-28-oleananoic acid, 12-Ketone, 28?13 lactone, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075944	3,13-Dihydroxy-11-oleanen-28-oic acid, 11?,12?-Epoxide, 28?13-lactone, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075945	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 15-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075946	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075947	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 15-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075948	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075949	3,15-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ketone, 15-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075950	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075951	3,22,29-Trihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075952	3,22-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, 22-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075953	3-Hydroxy-11-oxo-12-oleanen-28-oic acid, Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075954	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075955	3-Oxolanosta-7,24-dien-26-oic acid, 6?-Acetoxy 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075956	Coronalolic acid; Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075957	Dysoxylic acid A; 3-De-Ac, 3-ketone, 7-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075958	Holost-8-ene-3,23-diol, 25,26-Didehydro, 23-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075959	Holosta-7,25-dien-3-ol, 16?-Acetoxy 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075960	Holosta-8,25-dien-3-ol, 23-Ac 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075961	Jacquinonic acid; Et ester 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075962	Lagunapyrone A 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075963	Leptofuranin A 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075964	Leptomycin A; 24-Alcohol 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075965	Perenniporiol 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075966	Poricoic acid A; 3-Me ester 	C32H48O5	512.350174	NA	MeJP	NA	NA
+MJ075967	Prieurone; 29-Hydroxy 	C32H48O5	512.350174	NA	MeJP	NA	NA
+C17734	Acetoxolone	C32H48O5	512.3502	NA	KEGG	NA	NA
+MJ075968	Neurosporaxanthin; Me ester 	C36H48O2	512.36543	NA	MeJP	NA	NA
+MJ075969	Stigmastane-3,4,6,8,15,16,26-heptol 	C29H52O7	512.371304	NA	MeJP	NA	NA
+MJ075970	14-Serratene-3,21,30-triol, 30-Aldehyde, 3-Me ether, 21-Ac 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075971	17,29-Tritriacontadiene-2,4,32-triyne-1,6,31-triol; 16-Hydroxy 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075972	24-Methylenelanost-8-ene-3,21-diol, 21-Carboxylic acid, Ac 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075973	3,28,33-Trihydroxy-4-tritriacontene-1,29,31-triyn-16-one 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075974	3-Hydroxy-12-oleanen-28-oic acid, Ac, Me ester 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075975	3-Hydroxy-13(18)-oleanen-28-oic acid, Ac, Me ester 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075976	3-Hydroxy-20(29)-lupen-28-oic acid, 3-Ac, Me ester 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075977	5,14:7,8-Diepoxy-5-marasmanol, 9,12-Octadecadienoyl (Z,Z-) 	C33H52O4	512.38656	NA	MeJP	NA	NA
+MJ075978	12-Oleanene-3,11-diol, 11-Et ether, 3-Ac 	C34H56O3	512.422945	NA	MeJP	NA	NA
+MJ075979	12-Ursene-3,11-diol, 11-Et ether, 3-Ac 	C34H56O3	512.422945	NA	MeJP	NA	NA
+HMDB07008	DG(14:0/14:0/0:0)	C31H60O5	512.444092	NA	HMDB2010	NA	NA
+C16667	1,2-Dimyristyl-sn-glycerol	C31H60O5	512.4441	NA	KEGG	NA	NA
+C16669	Polynucleotide 5'-diphosphate	C10H19O16P3R2	512.4441	NA	KEGG	NA	NA
+MJ075980	5-Methyl-3-(11,15,19-triacontatrienyl)-2(5H)-furanone 	C35H60O2	512.459331	NA	MeJP	NA	NA
+MJ075981	5-Methyl-3-(9,13,17-triacontatrienyl)-2(5H)-furanone 	C35H60O2	512.459331	NA	MeJP	NA	NA
+MJ075982	Cycloartanol; 3-(2-Methylbutanoyl)(R-) 	C35H60O2	512.459331	NA	MeJP	NA	NA
+2614	synthetic peptide inhibitors of (PEP)	VYPFPGPIH	512.75895	MH2+	Inhouse_peptide	NA	peptide
+3437	f(1-8) of bovine lactoferrin 	APRKNVRW	512.78745	MH2+	Inhouse_peptide	NA	peptide
+MJ075983	Cefuzonam 	C16H15N7O5S4	513.001749	NA	MeJP	NA	NA
+HMDB06823	2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine	C9H18N5O14P3	513.006287	NA	HMDB2010	NA	NA
+HMDB06821	2,5-Diaminopyrimidine nucleoside triphosphate 	C9H18N5O14P3	513.00629	http://www.hmdb.ca/metabolites/HMDB06821	HMDB	NA	NA
+HMDB06823	2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine	C9H18N5O14P3	513.00629	http://www.hmdb.ca/metabolites/HMDB06823	HMDB	NA	NA
+HMDB06821	2,5-Diaminopyrimidine nucleoside triphosphate 	C9H18N5O14P3	513.00629	HMDB06821	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06823	2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine	C9H18N5O14P3	513.00629	HMDB06823	PFEM_hmdb_metabocards_official	NA	NA
+C05923	2,5-Diaminopyrimidine nucleoside triphosphate	C9H18N5O14P3	513.0063	NA	KEGG	NA	NA
+C06148	2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-	C9H18N5O14P3	513.0063	NA	KEGG	NA	NA
+MJ075984	2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine 	C9H18N5O14P3	513.006309	NA	MeJP	NA	NA
+PJ003367	GCCCE 	C16H27N5O8S3	513.1022	NA	PeJP	NA	NA
+MJ075985	Dynemicin P; 5-Oxo 	C28H19NO9	513.105981	NA	MeJP	NA	NA
+MJ075986	1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid, Nitrile, 1-O-[?-D-rhamnopyranosyl(1?6)-?-D-glucopyranoside], 4-O-sulfate 	C18H27NO14S	513.115225	NA	MeJP	NA	NA
+PJ003368	CCCW 	C20H27N5O5S3	513.1175	NA	PeJP	NA	NA
+PJ003369	SSCCD 	C16H27N5O10S2	513.12	NA	PeJP	NA	NA
+PJ003370	GTCCM 	C17H31N5O7S3	513.1386	NA	PeJP	NA	NA
+MJ075987	Neoacrimarine A 	C29H23NO8	513.142366	NA	MeJP	NA	NA
+PJ003371	CNDY 	C20H27N5O9S	513.153	NA	PeJP	NA	NA
+PJ003372	SSSCM 	C17H31N5O9S2	513.1563	NA	PeJP	NA	NA
+MJ075988	Adriamycin; 11-Deoxy, O4-de-Me 	C26H27NO10	513.163496	NA	MeJP	NA	NA
+MJ075989	Adriamycin; 4'-Epimer 	C26H27NO10	513.163496	NA	MeJP	NA	NA
+MJ075990	Adriamycin; Demethoxy 	C26H27NO10	513.163496	NA	MeJP	NA	NA
+MJ075991	Carminomycin I 	C26H27NO10	513.163496	NA	MeJP	NA	NA
+C12432	Carminomycin	C26H27NO10	513.1635	NA	KEGG	NA	NA
+PJ003373	CNMF 	C21H31N5O6S2	513.1716	NA	PeJP	NA	NA
+MJ075992	Acrimarine A; O5-De-Me, 6-demethoxy, O3-Me 	C30H27NO7	513.178752	NA	MeJP	NA	NA
+PJ003374	NDEH 	C19H27N7O10	513.182	NA	PeJP	NA	NA
+MJ075993	Antibiotic KA 3093 	C23H31NO12	513.184625	NA	MeJP	NA	NA
+MJ075994	Methoxyhygromycin 	C23H31NO12	513.184625	NA	MeJP	NA	NA
+PJ003375	SNMY 	C21H31N5O8S	513.1893	NA	PeJP	NA	NA
+PJ003376	GGSMY 	C21H31N5O8S	513.1894	NA	PeJP	NA	NA
+PJ003377	GDHW 	C23H27N7O7	513.1972	NA	PeJP	NA	NA
+MJ075995	Antibiotic K 502; Antibiotic K 502D 	C27H31NO9	513.199881	NA	MeJP	NA	NA
+MJ075996	Daunomycin; 11-Deoxy, 13-alcohol 	C27H31NO9	513.199881	NA	MeJP	NA	NA
+MJ075997	Feudomycin A 	C27H31NO9	513.199881	NA	MeJP	NA	NA
+C12429	13-Deoxydaunorubicin	C27H31NO9	513.1999	NA	KEGG	NA	NA
+PJ003378	GPTCH 	C20H31N7O7S	513.2006	NA	PeJP	NA	NA
+MJ075998	Validoxylamine B; 4-O-?-D-Glucopyranoside 	C20H35NO14	513.205754	NA	MeJP	NA	NA
+MJ075999	Zeatin, 9-?-D-Ribofuranosyl, O-?-D-glucopyranoside 	C21H31N5O10	513.207092	NA	MeJP	NA	NA
+PJ003379	GSSTY 	C21H31N5O10	513.2071	NA	PeJP	NA	NA
+MJ076000	Toddacoumalone 	C31H31NO6	513.215137	NA	MeJP	NA	NA
+MJ076001	Antibiotic SS 56C; 4-Deoxy 	C19H35N3O13	513.216988	NA	MeJP	NA	NA
+PJ003380	TQEH 	C20H31N7O9	513.2183	NA	PeJP	NA	NA
+PJ003381	GATEH 	C20H31N7O9	513.2184	NA	PeJP	NA	NA
+PJ003382	PPDW 	C25H31N5O7	513.2224	NA	PeJP	NA	NA
+PJ003383	TCKY 	C22H35N5O7S	513.2257	NA	PeJP	NA	NA
+PJ003384	SDHR 	C19H31N9O8	513.2296	NA	PeJP	NA	NA
+MJ076002	N-Acetylpuromycin 	C24H31N7O6	513.233581	NA	MeJP	NA	NA
+C07032	N-Acetylpuromycin	C24H31N7O6	513.2336	NA	KEGG	NA	NA
+C07033	Transferred to D00337	C24H31N7O6	513.2336	NA	KEGG	NA	NA
+PJ003385	ATHW 	C24H31N7O6	513.2336	NA	PeJP	NA	NA
+MJ076003	Anhydroharringtonine 	C28H35NO8	513.236267	NA	MeJP	NA	NA
+PJ003386	VQMH 	C21H35N7O6S	513.237	NA	PeJP	NA	NA
+PJ003387	APPTE 	C22H35N5O9	513.2435	NA	PeJP	NA	NA
+7695	ACE inhibitor from wakame	KFYG	513.246	antioxidative	Inhouse_peptide	NA	peptide
+MJ076004	2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Glutamine, 16-L-isoleucine diamide 	C27H35N3O7	513.2475	NA	MeJP	NA	NA
+PJ003388	AMHR 	C20H35N9O5S	513.2482	NA	PeJP	NA	NA
+MJ076005	Phoslactomycin; Phoslactomycin B 	C25H40NO8P	513.249153	NA	MeJP	NA	NA
+C15710	Phoslactomycin B	C25H40NO8P	513.2492	NA	KEGG	NA	NA
+PJ003389	TKEH 	C21H35N7O8	513.2547	NA	PeJP	NA	NA
+PJ003390	GGGGGPL 	C21H35N7O8	513.2548	NA	PeJP	NA	NA
+C11318	DAMGO	C26H35N5O6	513.2587	NA	KEGG	NA	NA
+MJ076006	L-Tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-N?-methyl-L-phenylalaninamide 	C26H35N5O6	513.258733	NA	MeJP	NA	NA
+PJ003391	GKFY 	C26H35N5O6	513.2588	NA	PeJP	NA	NA
+PJ003392	GPPLM 	C23H39N5O6S	513.2621	NA	PeJP	NA	NA
+MJ076007	Erysodinophorine; O15-De-Me 	C31H36N3O4(+)	513.262756	NA	MeJP	NA	NA
+MJ076008	Erysophorine; O16-De-Me 	C31H36N3O4(+)	513.262756	NA	MeJP	NA	NA
+PJ003393	TTHR 	C20H35N9O7	513.266	NA	PeJP	NA	NA
+CJneg0638	Androsterone glucuronide [(M-H)+(HCOOH)]- (13C)	C2513CH39O10	513.266025	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0638	Androsterone glucuronide [(M-H)+(HCOOH)]- (13C)	C2513CH39O10	513.266025	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+3455	PEP inhibitor	LLSPWNINA	513.2689	MH2+	Inhouse_peptide	NA	peptide
+PJ003394	VKMH 	C22H39N7O5S	513.2734	NA	PeJP	NA	NA
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	http://www.hmdb.ca/metabolites/HMDB02639	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	http://www.hmdb.ca/metabolites/HMDB02639	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	http://www.hmdb.ca/metabolites/HMDB02639	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	http://www.hmdb.ca/metabolites/HMDB02639	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	http://www.hmdb.ca/metabolites/HMDB02639	HMDB	NA	NA
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	http://www.hmdb.ca/metabolites/HMDB02639	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	HMDB02639	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276	NA  ;SYN:(+/-)-3-Amino-2-methylpropanoic acid; (+/-)-3-Aminoisobutyric acid; (+/-)-b-Aminoisobutyric acid; 2-Methyl-b-alanine; 3-Aminoisobutanoate; DL-2-Methyl-b-alanine; DL-3-Amino-2-methylpropionic acid; a-Methyl-b-alanine; b-Aminoisobutyric acid; (+/-)-beta-Aminoisobutyric acid; DL-beta-Aminoisobutyric acid; 2-Methyl-beta-alanine; DL-2-Methyl-beta-alanine; alpha-Methyl-beta-alanine; beta-Aminoisobutyric acid; (+/-)-3-Amino-2-methylpropanoate; 3-Aminoisobutanoic acid; dl-3-Aminoisobutyric acid; 3-aminoisobutyric acid; 3-amino-isobutanoic acid; 3-amino-2-methylpropanoic acid; 3-amino-isobutanoate; 3-amino-2-methylpropanoate; 3-aminoisobutyrateH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB02639	Sulfolithocholylglycine	C26H43NO7S	513.276001	NA	HMDB2010	NA	NA
+3398	ACE inhibitor (as2-casein fragment; 190-197)	MKPWIQPK	513.2767	MH2+	Inhouse_peptide	NA	peptide
+7471	coeliac toxic peptide	VIPVGGSSALGA	513.2785	MH2+	Inhouse_peptide	NA	peptide
+PJ003395	GPVLE 	C23H39N5O8	513.2799	NA	PeJP	NA	NA
+EUR911	Lyso PE 22:5 [M-H-CH3]-	C27H46NO7P	513.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR911	Lyso PE 22:5 [M-H-CH3]-	C27H46NO7P	513.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR911	Lyso PE 22:5 [M-H-CH3]-	C27H46NO7P	513.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR911	Lyso PE 22:5 [M-H-CH3]-	C27H46NO7P	513.285542	masses lipides attendues	Inhousejuil11	NA	NA
+PJ003396	PLER 	C22H39N7O7	513.2911	NA	PeJP	NA	NA
+PJ003397	PVLW 	C27H39N5O5	513.2951	NA	PeJP	NA	NA
+PJ003398	PNKR 	C21H39N9O6	513.3024	NA	PeJP	NA	NA
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR564	LysoPC(14:0)	[M+FA-H]-	513.306025	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR677	Lyso PC 14:0 [M+FA-H]-	C22H46NO7P	513.306072	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR677	Lyso PC 14:0 [M+FA-H]-	C22H46NO7P	513.306072	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR677	Lyso PC 14:0 [M+FA-H]-	C22H46NO7P	513.306072	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR677	Lyso PC 14:0 [M+FA-H]-	C22H46NO7P	513.306072	masses lipides attendues	Inhousejuil11	NA	NA
+EUR828	Lyso PE 16:0 [M-H+acetate]-	C21H44NO7P	513.306642	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR828	Lyso PE 16:0 [M-H+acetate]-	C21H44NO7P	513.306642	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR828	Lyso PE 16:0 [M-H+acetate]-	C21H44NO7P	513.306642	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR828	Lyso PE 16:0 [M-H+acetate]-	C21H44NO7P	513.306642	masses lipides attendues	Inhousejuil11	NA	NA
+MJ076009	Bisparthenolidine 	C30H43NO6	513.309038	NA	MeJP	NA	NA
+PJ003399	APTLL 	C24H43N5O7	513.3163	NA	PeJP	NA	NA
+PJ003400	AAPKK 	C23H43N7O6	513.3275	NA	PeJP	NA	NA
+MJ076010	Proactinomycin; Proactinomycin A 	C27H47NO8	513.330167	NA	MeJP	NA	NA
+PJ003401	GVLLL 	C25H47N5O6	513.3527	NA	PeJP	NA	NA
+PJ003402	LLLR 	C24H47N7O5	513.3639	NA	PeJP	NA	NA
+MJ076011	Daphmacrine; Lactol 	C32H51NO4	513.381809	NA	MeJP	NA	NA
+MJ076012	1,1,2,6,6-Pentabromo-1,4-octadien-3-one 	C8H7Br5O	513.641378	NA	MeJP	NA	NA
+2590	tenecin-1 (17-27)	DAACAAHCLFRG	513.7535	MH2+	Inhouse_peptide	NA	peptide
+MJ076013	Rubrolide E; 3',3'',5''-Tribromo 	C17H9Br3O4	513.805096	NA	MeJP	NA	NA
+MJ076014	Calcium ferrous citrate 	C12H10Ca2FeO14	513.867179	NA	MeJP	NA	NA
+MJ076015	Cefmatilen 	C15H14N8O5S4	513.996998	NA	MeJP	NA	NA
+FL5FACGSS003	Quercetin 3-sulfate-7-alpha-arabinopyranoside; 3-(Hydrogen sulfate)-7-(alpha-L-arabinopyranosyloxy)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one	C20H18O14S	514.04172	396707-57-6	knapsack	NA	NA
+MJ076016	4',5,7-Trihydroxy-6-prenylflavone; ?3''-Isomer, 2''-hydroxy 	C20H18O16	514.059484	NA	MeJP	NA	NA
+MJ076017	Carpinin D 	C20H18O16	514.059484	NA	MeJP	NA	NA
+MJ076018	Hydroxytetraphlorethol 	C24H18O13	514.07474	NA	MeJP	NA	NA
+MJ076019	Tetrafuhalol B; 4'-Deoxy 	C24H18O13	514.07474	NA	MeJP	NA	NA
+MJ076020	Tetraisofuhalol 	C24H18O13	514.07474	NA	MeJP	NA	NA
+MJ076021	Tetraphlorethol A; 4'''-Hydroxy 	C24H18O13	514.07474	NA	MeJP	NA	NA
+C18032	dTDP-4-oxo-2,3,6-trideoxy-D-glucose	C16H24N2O13P2	514.0754	NA	KEGG	NA	NA
+MJ076022	Ustilaginoidin A 	C28H18O10	514.089996	NA	MeJP	NA	NA
+MJ076023	altro-2-Heptulose, 1,7-Bis(3,4,5-trihydroxybenzoyl) 	C21H22O15	514.09587	NA	MeJP	NA	NA
+MJ076024	Napyradiomycin B1 	C25H29Cl3O5	514.108057	NA	MeJP	NA	NA
+C11199	Cefpirome	C22H22N6O5S2	514.1093	NA	KEGG	NA	NA
+MJ076025	Cefpirome 	C22H22N6O5S2	514.109309	NA	MeJP	NA	NA
+MJ076026	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 9-(Shikim-5-yl) ester 	C25H22O12	514.111126	NA	MeJP	NA	NA
+MJ076027	4-(2-Carboxyethenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylic acid, 9'-(3-Carboxy-5,6-dihydroxy-3-cyclohexen-1-yl)(1R,5R,6R-) ester 	C25H22O12	514.111126	NA	MeJP	NA	NA
+MJ076028	Edgeworin; Me ether, 6'-?-D-glucopyranosyloxy 	C25H22O12	514.111126	NA	MeJP	NA	NA
+MJ076029	Edgeworthin; 6-Me ether, 7-O-?-D-galactopyranoside 	C25H22O12	514.111126	NA	MeJP	NA	NA
+MJ076030	Edgeworthin; 6-Me ether, 7-O-?-D-glucopyranoside 	C25H22O12	514.111126	NA	MeJP	NA	NA
+MJ076031	Verlukast 	C26H27ClN2O3S2	514.115161	NA	MeJP	NA	NA
+C11239	MK 571	C26H27ClN2O3S2	514.1152	NA	KEGG	NA	NA
+PJ003403	CDDY 	C20H26N4O10S	514.137	NA	PeJP	NA	NA
+PJ003404	CMMM 	C18H34N4O5S4	514.1412	NA	PeJP	NA	NA
+MetaCyc03754	S-formylmycothiol [MSCH2OH;]	C18H30N2O13S1	514.14686	NA	metacyc	NA	NA
+C06718	S-Formylmycothiol	C18H30N2O13S	514.1469	NA	KEGG	NA	NA
+MJ076032	3-(4-Hydroxyphenyl)-2-propenoic acid, O-[4-Hydroxy-E-cinnamoyl-(?6)-2-O-acetyl-?-D-glucopyranoside] 	C26H26O11	514.147511	NA	MeJP	NA	NA
+MJ076033	Imbricatine 	C24H26N4O7S	514.152219	NA	MeJP	NA	NA
+PJ003405	CDMF 	C21H30N4O7S2	514.1556	NA	PeJP	NA	NA
+MJ076034	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 2,9-di-Ac 	C24H31ClO10	514.160574	NA	MeJP	NA	NA
+MJ076035	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 9,12-di-Ac 	C24H31ClO10	514.160574	NA	MeJP	NA	NA
+MJ076036	3,5,7-Trihydroxyflavan(4?8)-3,5,7-trihydroxyflavan 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076037	4',7-Dihydroxyflavan(4?6)-3,4',5,7-tetrahydroxyflavan 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076038	4',7-Dihydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076039	Brackenin 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076040	Flavomannin, 3,3'-Dideoxy 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076041	Gnetifolin C 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076042	Gnetulin 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076043	Mbamichalcone 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076044	Peroxisomicin A1 	C30H26O8	514.162767	NA	MeJP	NA	NA
+MJ076045	Toddasiatin 	C30H26O8	514.162767	NA	MeJP	NA	NA
+C14077	Phthalocyanine	C32H18N8	514.1654	NA	KEGG	NA	NA
+PJ003406	DDEH 	C19H26N6O11	514.166	NA	PeJP	NA	NA
+MJ076046	3-Methyl-1,2,8-naphthalenetriol; 2,8-Di-O-?-D-glucopyranoside 	C23H30O13	514.168641	NA	MeJP	NA	NA
+MJ076047	Formadicins; Formadicin D 	C24H26N4O9	514.169978	NA	MeJP	NA	NA
+MJ076048	Duoperone 	C28H26F4N2OS	514.170196	NA	MeJP	NA	NA
+MJ076049	Belactin A; N2-?-D-Glucopyranosyl 	C23H31ClN2O9	514.171808	NA	MeJP	NA	NA
+PJ003407	SDMY 	C21H30N4O9S	514.1734	NA	PeJP	NA	NA
+FL5FABGI0001	Icariside II;Baohuoside 1;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C27H30O10	514.18389	113558-15-9	knapsack	NA	NA
+MJ076050	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076051	Antibiotic T 23W 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076052	Brownin C 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076053	Brownin E 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076054	Brownin H 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076055	Brucein E; 2-Ketone, O15-benzoyl 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076056	Heteroclitin F 	C27H30O10	514.183897	NA	MeJP	NA	NA
+MJ076057	Mutactimycin C; 6-Deoxy 	C27H30O10	514.183897	NA	MeJP	NA	NA
+PJ003408	AMMY 	C22H34N4O6S2	514.192	NA	PeJP	NA	NA
+MJ076058	5-Hydroxytryptamine; Nb-(4-Hydroxy-3-methoxycinnamoyl)(E-), O-?-D-glucopyranoside 	C26H30N2O9	514.19513	NA	MeJP	NA	NA
+MJ076059	Antibiotic UK 2; Antibiotic UK 2A 	C26H30N2O9	514.19513	NA	MeJP	NA	NA
+MJ076060	Vincosamide; 10-Hydroxy 	C26H30N2O9	514.19513	NA	MeJP	NA	NA
+PJ003409	NNMH 	C19H30N8O7S	514.1958	NA	PeJP	NA	NA
+PJ003410	GGGGMH 	C19H30N8O7S	514.1959	NA	PeJP	NA	NA
+MJ076061	Punaglandin 3; 17,18-Dihydro, 10?,11?-epoxide 	C25H35ClO9	514.19696	NA	MeJP	NA	NA
+MJ076062	Celesticetin; N-De-Me 	C23H34N2O9S	514.198501	NA	MeJP	NA	NA
+MJ076063	Celesticetin; O7-De-Me 	C23H34N2O9S	514.198501	NA	MeJP	NA	NA
+MJ076064	Cochinchinenin 	C31H30O7	514.199153	NA	MeJP	NA	NA
+MJ076065	Karwinskione; 10'-Hydroxy, 7'-demethoxy 	C31H30O7	514.199153	NA	MeJP	NA	NA
+PJ003411	TEEH 	C20H30N6O10	514.2024	NA	PeJP	NA	NA
+PJ003412	PMMH 	C21H34N6O5S2	514.2032	NA	PeJP	NA	NA
+PJ003413	GEFY 	C25H30N4O8	514.2064	NA	PeJP	NA	NA
+PJ003414	TTMY 	C22H34N4O8S	514.2097	NA	PeJP	NA	NA
+MJ076066	Cytosaminomycin A 	C22H34N4O8S	514.209734	NA	MeJP	NA	NA
+MJ076067	Mildiomycin 	C19H30N8O9	514.213574	NA	MeJP	NA	NA
+PJ003415	GSSQH 	C19H30N8O9	514.2136	NA	PeJP	NA	NA
+CJpos0812	Hydroxyretinoic Glucuronide (and isomers) [(M+Na)]+	C26H36NaO9	514.217375	C18rt(min)=8.95 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0812	Hydroxyretinoic Glucuronide (and isomers) [(M+Na)]+	C26H36NaO9	514.217375	C18rt(min)=8.95 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ003416	PDHF 	C24H30N6O7	514.2176	NA	PeJP	NA	NA
+MJ076068	1(10?19)-Abeo-7-acetoxyisoobacun-3,10-olide 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076069	Carapolide F; 11-Deoxy 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076070	Citreohybriddione B 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076071	Citreohybriddione C 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076072	Gomisin D; 8'-Deoxy, 8'-epimer 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076073	Gomisin F 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076074	Gomisin P; 7,8-Diepimer, 7-angeloyl 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076075	Gomisin P; 7-Angeloyl 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076076	Gomisin P; 7-Tigloyl 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076077	Javanicin S 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076078	Microphyllinic acid; O-De-Me 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076079	Nomilinic acid; Lactone 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076080	Obacunol; 6?-Acetoxy 	C28H34O9	514.220282	NA	MeJP	NA	NA
+MJ076081	Photogedunin 	C28H34O9	514.220282	NA	MeJP	NA	NA
+C08773	Nomilin	C28H34O9	514.2203	NA	KEGG	NA	NA
+C17814	Gomisin B	C28H34O9	514.2203	NA	KEGG	NA	NA
+PJ003417	VEMH 	C21H34N6O7S	514.221	NA	PeJP	NA	NA
+PJ003418	FYW 	C29H30N4O5	514.2216	NA	PeJP	NA	NA
+PJ003419	AMFF 	C26H34N4O5S	514.225	NA	PeJP	NA	NA
+MJ076082	Evertriose 	C21H38O14	514.226155	NA	MeJP	NA	NA
+MJ076083	Sobuzoxane 	C22H34N4O10	514.227493	NA	MeJP	NA	NA
+MJ076084	2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 1-L-Glutamic acid, 16-L-isoleucine diamide 	C27H34N2O8	514.231516	NA	MeJP	NA	NA
+PJ003420	CQKH 	C20H34N8O6S	514.2322	NA	PeJP	NA	NA
+MJ076085	Telmisartan 	C33H30N4O2	514.236876	NA	MeJP	NA	NA
+C07710	Telmisartan	C33H30N4O2	514.2369	NA	KEGG	NA	NA
+PJ003421	SSPPQ 	C21H34N6O9	514.2387	NA	PeJP	NA	NA
+PJ003422	AAPQE 	C21H34N6O9	514.2388	NA	PeJP	NA	NA
+MJ076086	Nemorososide 	C25H38O11	514.241412	NA	MeJP	NA	NA
+PJ003423	GLYY 	C26H34N4O7	514.2428	NA	PeJP	NA	NA
+PJ003424	PNER 	C20H34N8O8	514.25	NA	PeJP	NA	NA
+PJ003425	PVNW 	C25H34N6O6	514.254	NA	PeJP	NA	NA
+MJ076087	Ajugalactone; 2-Ketone 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076088	Ajugalactone; 3-Ketone 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076089	Citreohybridone A; O15-De-Ac, O15-Me 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076090	Confluentic acid; Me ether 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076091	Elaeodendroside D 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076092	Elaeodendroside K 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076093	Gedunin; 1,2-Dihydro, 1?-methoxy 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076094	Glycinoeclepin C 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076095	Ingenol; 3-Angeloyl, 5,20-di-Ac 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076096	Isocitreohybridone A; 17-De-Ac, 17-Me ether 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076097	Lucidenic acid E2; 3-Ketone 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076098	Miophytocen A 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076099	Prasinic acid; 2''-Oxo 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076100	Roridin E 	C29H38O8	514.256668	NA	MeJP	NA	NA
+MJ076101	Setosusin 	C29H38O8	514.256668	NA	MeJP	NA	NA
+PJ003426	APPCK 	C22H38N6O6S	514.2574	NA	PeJP	NA	NA
+MJ076102	Fradicin 	C30H34N4O4	514.258005	NA	MeJP	NA	NA
+PJ003427	GPRW 	C24H34N8O5	514.2652	NA	PeJP	NA	NA
+MJ076103	Maytansinol; Dechloro, 4,5-deepoxy, 4,5-didehydro 	C28H38N2O7	514.267901	NA	MeJP	NA	NA
+PJ003428	CKKH 	C21H38N8O5S	514.2686	NA	PeJP	NA	NA
+PJ003429	AAPKE 	C22H38N6O8	514.2751	NA	PeJP	NA	NA
+MJ076104	13,16,17-Trihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester 	C26H42O10	514.277797	NA	MeJP	NA	NA
+MJ076105	3,13,19-Trihydroxy-1,6,10,14-phytatetraen-16-oic acid, 3-O-?-D-Glucopyranoside 	C26H42O10	514.277797	NA	MeJP	NA	NA
+MJ076106	9,16,17-Trihydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester 	C26H42O10	514.277797	NA	MeJP	NA	NA
+MJ076107	Cinncassiol D1; 19-O-?-D-Glucopyranosyl 	C26H42O10	514.277797	NA	MeJP	NA	NA
+MJ076108	Cinncassiol D4; 2-O-?-D-Glucopyranoside 	C26H42O10	514.277797	NA	MeJP	NA	NA
+MJ076109	Sativanine K 	C27H38N4O6	514.279134	NA	MeJP	NA	NA
+MJ076110	Chaetoglobosin A; 19-Deoxy, 20?-alcohol 	C32H38N2O4	514.283157	NA	MeJP	NA	NA
+MJ076111	Chaetoglobosin J; 21,22-Dihydro 	C32H38N2O4	514.283157	NA	MeJP	NA	NA
+PJ003430	PDKR 	C21H38N8O7	514.2864	NA	PeJP	NA	NA
+PJ003431	VLHF 	C26H38N6O5	514.2904	NA	PeJP	NA	NA
+MJ076112	15-Hydroxy-3,7,11,23-tetraoxolanost-8-en-26-oic acid 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076113	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076114	3,14-Dihydroxybufa-20,22-dienolide, 3-(Hydrogen adipoyl) 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076115	3,15-Dihydroxy-7,11,23-trioxolanosta-8,20(22)-dien-26-oic acid 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076116	3,20-Dihydroxy-7,11,15-trioxolanosta-8,24-dien-26-oic acid 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076117	3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 3,15-Diketone 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076118	3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid, 7,15-Diketone 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076119	3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid, 15-Ketone 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076120	3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid, 3-Ketone 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076121	7,15,23-Trihydroxy-3,11-dioxolanosta-8,24-dien-26-oic acid, 7,15-Diketone, 3?-alcohol 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076122	8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide, 3-O-?-D-Diginoside 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076123	Arrivacin A 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076124	Biennin C 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076125	Chisocheton compound F 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076126	Euphohelioscopin A; 4',5'-Epoxide 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076127	Fijianolide A 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076128	Fijianolide B 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076129	Ganosporelactone B 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076130	Havanensin; 1,7-Di-Ac 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076131	Havanensin; 3,7-Di-Ac 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076132	Iochromolide; 24?,25?-Dihydro 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076133	Milbemycin ?16 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076134	Neolaulimalide 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076135	Petuniolide B; 12-Ketone 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076136	Prasinic acid; 2'-Me ether 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076137	Pregnane-3,12,14,17,20-pentol, 20-Benzoyl, 12-Ac 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076138	Pregnane-3,8,12,14,17,20-hexol, 12-Cinnamoyl 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076139	Pseudolarolide H 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076140	Sodagnitin E; 12-Oxo 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076141	Stigmatellin A 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MJ076142	Withacnistin; 24?,25?-Dihydro 	C30H42O7	514.293053	NA	MeJP	NA	NA
+MetaCyc03755	cucurbitacin I []	C30H42O7	514.293054	NA	metacyc	NA	NA
+C08800	Cucurbitacin I	C30H42O7	514.2931	NA	KEGG	NA	NA
+C12148	Stigmatellin A	C30H42O7	514.2931	NA	KEGG	NA	NA
+MJ076143	Cholest-7-ene-3,5,6,9-tetrol, 6-Sulfate 	C27H46O7S	514.296424	NA	MeJP	NA	NA
+PJ003432	SPRR 	C20H38N10O6	514.2976	NA	PeJP	NA	NA
+MJ076144	Hennoxazole A 	C29H42N2O6	514.304287	NA	MeJP	NA	NA
+MJ076145	Flavidulol C 	C34H42O4	514.308309	NA	MeJP	NA	NA
+5476	antimicrobial peptide from cathepsin G (human)	IIGGR	514.311	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ003433	GPTLK 	C23H42N6O7	514.3115	NA	PeJP	NA	NA
+8315	Anticancer peptide	NLHLPLPLL	514.31245	MH2+	Inhouse_peptide	NA	peptide
+MJ076146	Cholest-24-ene-3,4,5,6,7,8,14,15,26-nonol 	C27H46O9	514.314183	NA	MeJP	NA	NA
+MJ076147	Daechuine S7 	C28H42N4O5	514.31552	NA	MeJP	NA	NA
+MJ076148	Sativanine G 	C28H42N4O5	514.31552	NA	MeJP	NA	NA
+MJ076149	Zizyphus mucronata Alkaloid 	C28H42N4O5	514.31552	NA	MeJP	NA	NA
+PJ003434	VLQR 	C22H42N8O6	514.3228	NA	PeJP	NA	NA
+MJ076150	Serratamolide 	C26H46N2O8	514.325416	NA	MeJP	NA	NA
+MJ076151	16,28-Dihydroxy-24-methylene-3,4-secolanost-4(29),7,9(11)-triene-3,21-dioic acid; 16?-form 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076152	3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid, Et ester 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076153	3,16-Dihydroxy-12,19(29)-ursadiene-27,28-dioic acid, 3-Me ether 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076154	3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid, 16-Ac, 12-Hydroxy 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076155	3,16-Dihydroxyfusida-9(11),17(20)-dien-21-oic acid, 16-Ac, 9?,11?-Epoxide 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076156	3,24,25-Trihydroxy-12-oxo-13,15,17(20),22-isomalabaricatetraen-29-oic acid, 24-Me ether 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076157	30(8?9)-Abeo-3,11,16-trihydroxyfusida-7,17(20),24-trien-21-oic acid, 16-Ac 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076158	Fusidic acid; 11-Ketone 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076159	Fusidic acid; 3-Ketone 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076160	Milbemycin ?1; 28-Deoxy, 5-O-de-Me 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076161	Murrangatin, 2'-O-Hexadecanoyl 	C31H46O6	514.329439	NA	MeJP	NA	NA
+MJ076162	Poricoic acid D 	C31H46O6	514.329439	NA	MeJP	NA	NA
+PJ003435	ALRR 	C21H42N10O5	514.334	NA	PeJP	NA	NA
+PJ003436	AALLK 	C24H46N6O6	514.3479	NA	PeJP	NA	NA
+PJ003437	VLKR 	C23H46N8O5	514.3591	NA	PeJP	NA	NA
+MJ076163	1,3-Dihydroxy-20(29)-lupen-26-oic acid, 1-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076164	12-Hydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl) 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076165	12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Hydroxypentanoyl) 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076166	12-Oleanene-3,16,22,28-tetrol, 28-Aldehyde, 16-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076167	16,26-Dihydroxy-1,3-friedelanedione; 16?-form, 16-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076168	2,3,13-Trihydroxy-28-lupanoic acid, 28?13 Lactone, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076169	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076170	2,3-Dihydroxy-12-ursen-28-oic acid, 2-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076171	24,25-Epoxy-23-hydroxyprotost-13(17)-en-3-one, 13?,17?-Epoxide, Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076172	3,11-Dihydroxy-12-ursen-24-oic acid, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076173	3,12,13-Trihydroxy-28-oleananoic acid, 28?13 Lactone, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076174	3,16-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076175	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076176	3,20-Dihydroxy-12-ursen-28-oic acid, 20-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076177	3,20-Dihydroxy-7-lanosten-18,16-olide, 20-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076178	3,24-Dihydroxylanosta-8,25-dien-21-oic acid, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076179	3,29-Dihydroxy-12-oleanen-28-oic acid, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076180	3,29-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076181	3,6-Dihydroxy-12-oleanen-28-oic acid, 6-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076182	3-Hydroxy-12-oleanene-23,28-dioic acid, Di-Me ester 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076183	3-Hydroxy-12-oleanene-28,29-dioic acid, 29-Et ester 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076184	3-Hydroxy-12-oleanene-28,29-dioic acid, Di-Me ester 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076185	7,19,28-Trihydroxy-9(11)-arborinen-3-one, 28-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076186	Alisol B; 23-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076187	Aphanamixin 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076188	Dysoxylic acid A 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076189	Frondogenin 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076190	Holost-8-ene-3,23-diol, 23-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076191	Holost-9(11)-ene-3,23-diol, 23-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076192	Holosta-8,25-dien-3-ol, 25?,26-Dihydro, 23-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076193	Melianol; 3-Ac 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076194	Radermasinin 	C32H50O5	514.365824	NA	MeJP	NA	NA
+MJ076195	24-Methylenelanost-8-ene-3,22,23-triol, 22-Ac 	C33H54O4	514.40221	NA	MeJP	NA	NA
+MJ076196	3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-(9,12-octadecadienoyl) 	C33H54O4	514.40221	NA	MeJP	NA	NA
+MJ076197	5,14:7,8-Diepoxy-5-marasmanol, 9Z-Octadecenoyl 	C33H54O4	514.40221	NA	MeJP	NA	NA
+MJ076198	Pisosterol 	C33H54O4	514.40221	NA	MeJP	NA	NA
+MJ076199	Buxidienine I; 16-Deoxy, N3,N20,N20-tri-Me, N3-(2S-hydroxy-3-methylbutanoyl) 	C32H54N2O3	514.413443	NA	MeJP	NA	NA
+MJ076200	3-(4-Hydroxyphenyl)-2-propenoic acid, Pentacosyl ester 	C34H58O3	514.438595	NA	MeJP	NA	NA
+MJ076201	5-Methyl-3-(11,15,19-triacontatrienyl)-2(5H)-furanone, 19',20'-Dihydro 	C35H62O2	514.474981	NA	MeJP	NA	NA
+3423	ACE inhibitor	QVSLNSGYY	514.73195	MH2+	Inhouse_peptide	NA	peptide
+C04674	3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine	C12H21NO17S2	515.0251	NA	KEGG	NA	NA
+MetaCyc03756	3-ADP-glycerate []	C13H19N5O13P2	515.045459	NA	metacyc	NA	NA
+MetaCyc03757	lacty (2) diphospho-(5')guanosine [guanosine(5')-diphospho-L-lactate;LPPG;]	C13H19N5O13P2	515.045459	NA	metacyc	NA	NA
+C02509	3-(ADP)-glycerate	C13H19N5O13P2	515.0455	NA	KEGG	NA	NA
+C11203	Cefozopran	C19H17N9O5S2	515.0794	NA	KEGG	NA	NA
+C11204	Transferred to D01053	C19H17N9O5S2	515.0794	NA	KEGG	NA	NA
+C11205	Hexadimethrine bromide	C19H17N9O5S2	515.0794	NA	KEGG	NA	NA
+MJ076202	Cefozopran 	C19H17N9O5S2	515.079406	NA	MeJP	NA	NA
+PJ003438	GCCCM 	C16H29N5O6S4	515.1001	NA	PeJP	NA	NA
+C18033	dTDP-4-amino-2,3,4,6-tetradeoxy-D-glucose	C16H27N3O12P2	515.107	NA	KEGG	NA	NA
+PJ003439	STCCC 	C16H29N5O8S3	515.1178	NA	PeJP	NA	NA
+MJ076203	Dynemicin P 	C28H21NO9	515.121631	NA	MeJP	NA	NA
+MJ076204	Bulgecin B 	C17H29N3O13S	515.142108	NA	MeJP	NA	NA
+PJ003440	CCQY 	C20H29N5O7S2	515.1509	NA	PeJP	NA	NA
+MJ076205	Lamellarin H; 5,6-Dihydro, 8,9,13,21-tetra-Me ether 	C29H25NO8	515.158016	NA	MeJP	NA	NA
+MJ076206	Lamellarin H; 5,6-Dihydro, 9,12,13,21-tetra-Me ether 	C29H25NO8	515.158016	NA	MeJP	NA	NA
+MJ076207	Neoacrimarine F; 6-Deoxy 	C29H25NO8	515.158016	NA	MeJP	NA	NA
+PJ003441	GPCCH 	C19H29N7O6S2	515.1621	NA	PeJP	NA	NA
+PJ003442	GSSCY 	C20H29N5O9S	515.1686	NA	PeJP	NA	NA
+C12431	13-Dihydrocarminomycin	C26H29NO10	515.1791	NA	KEGG	NA	NA
+MJ076208	Carminomycinol 	C26H29NO10	515.179146	NA	MeJP	NA	NA
+MJ076209	Feudomycin A; 1-Hydroxy, O-de-Me 	C26H29NO10	515.179146	NA	MeJP	NA	NA
+MJ076210	Feudomycin C; 10?-Hydroxy 	C26H29NO10	515.179146	NA	MeJP	NA	NA
+MJ076211	Oxaunomycin 	C26H29NO10	515.179146	NA	MeJP	NA	NA
+MJ076212	Parfumine; ?-D-Glucoside 	C26H29NO10	515.179146	NA	MeJP	NA	NA
+MJ076213	?-Rhodomycinone; 10-Epimer, 7-O-(3-amino-2,3,6-trideoxy-?-L-lyxo-hexopyranoside) 	C26H29NO10	515.179146	NA	MeJP	NA	NA
+PJ003443	NDMH 	C19H29N7O8S	515.1799	NA	PeJP	NA	NA
+PJ003444	CCKY 	C21H33N5O6S2	515.1872	NA	PeJP	NA	NA
+MJ076214	Desalicetin; N,O7-Di-de-Me, 2'-(4-amino-2-hydroxybenzoyl) 	C22H33N3O9S	515.19375	NA	MeJP	NA	NA
+PJ003445	ACHW 	C23H29N7O5S	515.1951	NA	PeJP	NA	NA
+PJ003446	GSSEH 	C19H29N7O10	515.1976	NA	PeJP	NA	NA
+PJ003447	GNYY 	C24H29N5O8	515.2016	NA	PeJP	NA	NA
+MJ076215	Antibiotic SF 2513; Antibiotic SF 2513A 	C22H34N3O9P	515.203266	NA	MeJP	NA	NA
+PJ003448	GPPDM 	C21H33N5O8S	515.205	NA	PeJP	NA	NA
+PJ003449	SSHW 	C23H29N7O7	515.2129	NA	PeJP	NA	NA
+MJ076216	Actinoflavoside 	C27H33NO9	515.215531	NA	MeJP	NA	NA
+PJ003450	TQMH 	C20H33N7O7S	515.2162	NA	PeJP	NA	NA
+HMDB06595	A-Trisaccharide	C20H37NO14	515.22137	http://www.hmdb.ca/metabolites/HMDB06595	HMDB	NA	NA
+HMDB06595	A-Trisaccharide	C20H37NO14	515.22137	HMDB06595	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06595	Alpha-Trisaccharide	C20H37NO14	515.221375	NA	HMDB2010	NA	NA
+PJ003451	AAPEE 	C21H33N5O10	515.2228	NA	PeJP	NA	NA
+MJ076217	Malformin; Malformin A2 	C22H37N5O5S2	515.22361	NA	MeJP	NA	NA
+MJ076218	Malformin; Malformin A4 	C22H37N5O5S2	515.22361	NA	MeJP	NA	NA
+MJ076219	Malformin; Malformin B2 	C22H37N5O5S2	515.22361	NA	MeJP	NA	NA
+PJ003452	TCHR 	C19H33N9O6S	515.2275	NA	PeJP	NA	NA
+PJ003453	PDER 	C20H33N7O9	515.234	NA	PeJP	NA	NA
+MJ076220	Astin J 	C25H33N5O7	515.237998	NA	MeJP	NA	NA
+PJ003454	PVDW 	C25H33N5O7	515.238	NA	PeJP	NA	NA
+PJ003455	APPTM 	C22H37N5O7S	515.2414	NA	PeJP	NA	NA
+PJ003456	VNHF 	C24H33N7O6	515.2493	NA	PeJP	NA	NA
+MJ076221	Alkaloid GB11; 14,16-Di-Ac 	C28H37NO8	515.251917	NA	MeJP	NA	NA
+MJ076222	Harringtonine; 5'-Deoxy 	C28H37NO8	515.251917	NA	MeJP	NA	NA
+MJ076223	Isonargenicin A1 	C28H37NO8	515.251917	NA	MeJP	NA	NA
+MJ076224	Nodusmicin; 9-(1H-Pyrrole-2-carboxylate) 	C28H37NO8	515.251917	NA	MeJP	NA	NA
+MJ076225	Spirodihydrobenzofuranlactam I; N-(1,3-Dicarboxypropyl) 	C28H37NO8	515.251917	NA	MeJP	NA	NA
+PJ003457	TKMH 	C21H37N7O6S	515.2526	NA	PeJP	NA	NA
+PJ003458	PPTTT 	C22H37N5O9	515.2591	NA	PeJP	NA	NA
+PJ003459	GPTLE 	C22H37N5O9	515.2592	NA	PeJP	NA	NA
+3425	ACE inhibitor	NRVYVHPF	515.26045	MH2+	Inhouse_peptide	NA	peptide
+PJ003460	GHFR 	C23H33N9O5	515.2605	NA	PeJP	NA	NA
+2828	PEP inhibitor	PPAYPPPPVP	515.266	MH2+	Inhouse_peptide	NA	peptide
+PJ003461	GSPQK 	C21H37N7O8	515.2704	NA	PeJP	NA	NA
+7745	ACE inhibitor	RMLGQTPTK	515.2722	MH2+	Inhouse_peptide	NA	peptide
+MJ076226	N-[5-[(1,6-Dihydro-2-hydroxy-5-octanamido-6-oxo-3-pyridyl)imino]-1,2,5,6-tetrahydro-2,6-dioxo-3-pyridyl]octanamide 	C26H37N5O6	515.274383	NA	MeJP	NA	NA
+PJ003462	PTLW 	C26H37N5O6	515.2744	NA	PeJP	NA	NA
+18	Troponin C	RMLGQTPTK	515.2745	MH2+	Inhouse_peptide	NA	peptide
+PJ003463	GPVLM 	C23H41N5O6S	515.2778	NA	PeJP	NA	NA
+PJ003464	VNQR 	C20H37N9O7	515.2816	NA	PeJP	NA	NA
+PJ003465	PPFR 	C25H37N7O5	515.2856	NA	PeJP	NA	NA
+MJ076227	Candoxatrilat; 2-(5-Indanyl) ester 	C29H41NO7	515.288302	NA	MeJP	NA	NA
+MJ076228	Pregnane-3,11,12,14,20-pentol, 11-O-(3-Pyridinecarboxylate), 12-Ac 	C29H41NO7	515.288302	NA	MeJP	NA	NA
+PJ003466	PLMR 	C22H41N7O5S	515.289	NA	PeJP	NA	NA
+MJ076229	Taurocholic acid 	C26H45NO7S	515.291673	NA	MeJP	NA	NA
+MJ076230	Taurocholate 	C26H45NO7S	515.291673	NA	MeJP	NA	NA
+MetaCyc03758	taurocholate [2-(((3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Trihydroxy-24- oxocholan-24-yl)amino)ethanesulphonic acid;2-(((3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12-Trihydroxy-24- oxocholan-24-yl)amino)ethanesulfonic acid;2-((3-&alpha;,7-&alpha;,12-&alpha;-trihydroxy-24-oxo-5-&beta;-cholan- 24-yl)amino)ethanesulfonic acid;3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholanic acid 24-taurine;acidum cholatauricum;cholaic acid;cholyltaurine;ethanesulfonic acid, 2-(((3&alpha;,5&beta;,7&alpha;,12&alpha;)-3,7,12- trihydroxy-24-oxocholan-24-yl)amino)-;N-choloyltaurine;N-choloyl-taurine;]	C26H45N1O7S1	515.291673	NA	metacyc	NA	NA
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	PFEM_hmdb_metabocards_urine	NA	urine
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	HMDB	NA	NA
+HMDB00036	Taurocholic acid	C26H45NO7S	515.291687	NA	HMDB2010	NA	NA
+HMDB00889	Tauroursocholic acid	C26H45NO7S	515.291687	NA	HMDB2010	NA	NA
+HMDB00922	Taurallocholic acid	C26H45NO7S	515.291687	NA	HMDB2010	NA	NA
+HMDB00932	Tauro-b-muricholic acid	C26H45NO7S	515.291687	NA	HMDB2010	NA	NA
+HMDB11637	Taurohyocholate	C26H45NO7S	515.291687	NA	HMDB2010	NA	NA
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	Inhouse_PFEM	NA	NA
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	Inhousejuil11	NA	NA
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	PFEM_hmdb_metabocards_blood	NA	blood
+LABER091	Taurocholic acid 	NA	515.291687	RT 25.03 	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00036	Taurocholic acid	C26H45NO7S	515.29169	http://www.hmdb.ca/metabolites/HMDB00036	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00036	Taurocholic acid	C26H45NO7S	515.29169	http://www.hmdb.ca/metabolites/HMDB00036	HMDB	NA	NA
+HMDB00889	Tauroursocholic acid	C26H45NO7S	515.29169	http://www.hmdb.ca/metabolites/HMDB00889	HMDB	NA	NA
+HMDB00922	Taurallocholic acid	C26H45NO7S	515.29169	http://www.hmdb.ca/metabolites/HMDB00922	HMDB	NA	NA
+HMDB00932	Tauro-b-muricholic acid	C26H45NO7S	515.29169	http://www.hmdb.ca/metabolites/HMDB00932	HMDB	NA	NA
+HMDB00036	Taurocholic acid	C26H45NO7S	515.29169	http://www.hmdb.ca/metabolites/HMDB00036	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00036	Taurocholic acid	C26H45NO7S	515.29169	HMDB00036	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00889	Tauroursocholic acid	C26H45NO7S	515.29169	HMDB00889	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00922	Taurallocholic acid	C26H45NO7S	515.29169	HMDB00922	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00932	Tauro-b-muricholic acid	C26H45NO7S	515.29169	HMDB00932	PFEM_hmdb_metabocards_official	NA	NA
+EUR644	Taurocholic acid 	[M-H]-	515.2917	identifies dans standard mixture NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR644	Taurocholic acid 	[M-H]-	515.2917	identifies dans standard mixture NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR644	Taurocholic acid 	[M-H]-	515.2917	identifies dans standard mixture NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR644	Taurocholic acid 	[M-H]-	515.2917	identifies dans standard mixture NuGO	Inhousejuil11	NA	NA
+C05122	Taurocholate	C26H45NO7S	515.2917	NA	KEGG	NA	NA
+C15516	Taurohyocholate	C26H45NO7S	515.2917	NA	KEGG	NA	NA
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	HMDB	NA	NA
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	Inhouse_PFEM	NA	NA
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis023	Taurocholic acid	HMDB00036_RT9.69_add498,480,462	515.2923	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+PJ003467	GQRR 	C19H37N11O6	515.2929	NA	PeJP	NA	NA
+JH235	Taurocholic acid [M+H]+	C26H45NO7S	515.2943	25.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH235	Taurocholic acid [M+H]+	C26H45NO7S	515.2943	25.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH235	Taurocholic acid [M+H]+	C26H45NO7S	515.2943	25.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH235	Taurocholic acid [M+H]+	C26H45NO7S	515.2943	25.3	Inhousejuil11	NA	NA
+PJ003468	AALLE 	C23H41N5O8	515.2955	NA	PeJP	NA	NA
+EUR720	Lyso PC 16:1 [M+Na]+	C24H48NO7P	515.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR720	Lyso PC 16:1 [M+Na]+	C24H48NO7P	515.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR720	Lyso PC 16:1 [M+Na]+	C24H48NO7P	515.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR720	Lyso PC 16:1 [M+Na]+	C24H48NO7P	515.298788	masses lipides attendues	Inhousejuil11	NA	NA
+MJ076231	Ciliatocholic acid 	C26H46NO7P	515.301189	NA	MeJP	NA	NA
+EUR744	Lyso PC 18:4 monoisotopic mass 	C26H46NO7P	515.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR906	Lyso PE 22:4 [M-H-CH3]-	C27H48NO7P	515.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR744	Lyso PC 18:4 monoisotopic mass 	C26H46NO7P	515.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR906	Lyso PE 22:4 [M-H-CH3]-	C27H48NO7P	515.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR744	Lyso PC 18:4 monoisotopic mass 	C26H46NO7P	515.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR906	Lyso PE 22:4 [M-H-CH3]-	C27H48NO7P	515.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR744	Lyso PC 18:4 monoisotopic mass 	C26H46NO7P	515.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR906	Lyso PE 22:4 [M-H-CH3]-	C27H48NO7P	515.301192	masses lipides attendues	Inhousejuil11	NA	NA
+C05683	2-Aminoethylphosphocholate	C26H46NO7P	515.3012	NA	KEGG	NA	NA
+HMDB10389	LysoPC(18:4(6Z,9Z,12Z,15Z))	C26H46NO7P	515.301208	NA	HMDB2010	NA	NA
+PJ003469	VLER 	C22H41N7O7	515.3068	NA	PeJP	NA	NA
+PJ003470	VVLW 	C27H41N5O5	515.3108	NA	PeJP	NA	NA
+PJ003471	VNKR 	C21H41N9O6	515.318	NA	PeJP	NA	NA
+MJ076232	Nephilatoxin 12 	C26H41N7O4	515.322002	NA	MeJP	NA	NA
+MJ076233	Delaminomycin A; 5'-Me ether 	C30H45NO6	515.324688	NA	MeJP	NA	NA
+PJ003472	GKRR 	C20H41N11O5	515.3292	NA	PeJP	NA	NA
+PJ003473	GTLLL 	C24H45N5O7	515.3319	NA	PeJP	NA	NA
+MJ076234	Beauvellide 	C29H45N3O5	515.335921	NA	MeJP	NA	NA
+MJ076235	Beauveriolide II 	C29H45N3O5	515.335921	NA	MeJP	NA	NA
+MJ076236	Beauverolide E 	C29H45N3O5	515.335921	NA	MeJP	NA	NA
+MJ076237	Beauverolide I 	C29H45N3O5	515.335921	NA	MeJP	NA	NA
+MJ076238	Beauverolide La 	C29H45N3O5	515.335921	NA	MeJP	NA	NA
+PJ003474	LQKK 	C23H45N7O6	515.3431	NA	PeJP	NA	NA
+PJ003475	GALKK 	C23H45N7O6	515.3432	NA	PeJP	NA	NA
+MJ076239	3,6,14-Cevanetriol, 3,6-Di-Ac 	C31H49NO5	515.361073	NA	MeJP	NA	NA
+MJ076240	Ambruticin VS 5; N,N,N-Tri-Me 	C31H49NO5	515.361073	NA	MeJP	NA	NA
+PJ003476	LKKK 	C24H49N7O5	515.3795	NA	PeJP	NA	NA
+MJ076241	3,5-Diacyl-1,4-dihydro-4-nonylpyridines; 3,5-Didecanoyl-1,4-dihydro-4-nonylpyridine 	C34H61NO2	515.47023	NA	MeJP	NA	NA
+MJ076242	1,1,2,4,4-Pentabromo-1-octen-3-one 	C8H9Br5O	515.657028	NA	MeJP	NA	NA
+2626	synthetic fr,of human beta-CN (55-63) ACE inhibitor	EPIPYGFLP	515.759	MH2+	Inhouse_peptide	NA	peptide
+7319	celiac sprue gluten epitope from gamma-gliadin	PLPQPQQPQ	515.762	MH2+	Inhouse_peptide	NA	peptide
+7399	celiac sprue gluten epitope found in secalin	PQPQQPIPQ	515.762	MH2+	Inhouse_peptide	NA	peptide
+8147	peptide derived from rice bran proteins (Oryza sativa)	VLEANPRSF	515.76345	MH2+	Inhouse_peptide	NA	peptide
+MJ076243	2,2,2-Trichloro-1,1-ethanediol; Phenazone complex 	C15H18Cl6N2O5	515.934687	NA	MeJP	NA	NA
+MJ076244	Thiocarbamizine 	C21H17AsN2O5S2	515.979484	NA	MeJP	NA	NA
+MJ076245	Xanthomonadin I 	C24H22Br2O3	515.993569	NA	MeJP	NA	NA
+MJ076246	Purealidin H; O4-(3-Aminopropyl) 	C17H22Br2N6O3	516.012013	NA	MeJP	NA	NA
+MJ076247	Turbotoxin A; N9-De-Me 	C16H27I2N2O(+)	516.01345	NA	MeJP	NA	NA
+MJ076248	Nitrocefin 	C21H16N4O8S2	516.040954	NA	MeJP	NA	NA
+MJ076249	Antibiotic DC 1149B 	C20H21ClN2O8S2	516.042784	NA	MeJP	NA	NA
+MJ076250	Trisjuglone 	C30H12O9	516.048131	NA	MeJP	NA	NA
+MJ076251	Laurencianol 	C20H35Br2ClO3	516.064147	NA	MeJP	NA	NA
+MJ076252	Edgeworthin; 8-Hydroxy, 7-O-?-D-glucopyranoside 	C24H20O13	516.09039	NA	MeJP	NA	NA
+MJ076253	Leprocybin 	C24H20O13	516.09039	NA	MeJP	NA	NA
+C12447	dTDP-beta-L-rhodinose	C16H26N2O13P2	516.091	NA	KEGG	NA	NA
+MJ076254	Bacillosporin B; 16-Ac 	C28H20O10	516.105646	NA	MeJP	NA	NA
+MJ076255	Dicyperaquinone E; Monodeoxy 	C28H20O10	516.105646	NA	MeJP	NA	NA
+MJ076256	Ustilaginoidin A, 2,3-Dihydro 	C28H20O10	516.105646	NA	MeJP	NA	NA
+FL3FAACS0080	2'',6''-Di-O-Acetyl isovitexin	C25H24O12	516.12677	172286-93-0	knapsack	NA	NA
+FL3FAAGS0048	Apigenin 7-(2'',3''-diacetylglucoside)	C25H24O12	516.12677	84323-20-6	knapsack	NA	NA
+FL3FAAGS0049	Apigenin 7-(3'',4''-diacetylglucoside)	C25H24O12	516.12677	84323-21-7	knapsack	NA	NA
+FL5FAAGS0052	Kaempferol 3-(2'',4''-diacetylrhamnoside)	C25H24O12	516.12677	133882-73-2	knapsack	NA	NA
+FL5FAAGS0053	Kaempferol 3-(3'',4''-diacetylrhamnoside)	C25H24O12	516.12677	77307-50-7	knapsack	NA	NA
+FLIA1AGS0008	Formononetin 7-O-glucoside-6''-malonate;Formononetin 7-O-(6''-malonylglucoside)	C25H24O12	516.12677	34232-16-1	knapsack	NA	NA
+MJ076257	1,3-Di-O-caffeoylquinic acid 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076258	1,4-Di-O-caffeoylquinic acid 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076259	1,5-Di-O-caffeoylquinic acid 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076260	3,4-Di-O-caffeoylquinic acid 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076261	3,5-Di-O-caffeoylquinic acid 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076262	4,5-Di-O-caffeoylquinic acid 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076263	7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076264	Afzelin; 2'',4''-Di-Ac 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076265	Afzelin; 3'',4''-Di-Ac 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076266	Astragalin; 6''-O-(2-Butenoyl) 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076267	Cosmosiin; 2'',3''-Di-Ac 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076268	Cosmosiin; 3'',4''-Di-Ac 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076269	Isovitexin; 2'',6''-Di-Ac 	C25H24O12	516.126776	NA	MeJP	NA	NA
+MJ076270	Vitisidin B; 3-O-?-D-Glucopyranoside 	C25H25O12(+)	516.126776	NA	MeJP	NA	NA
+MetaCyc03759	formononetin-7-O-glucoside-6''-malonate []	C25H24O12	516.126776	NA	metacyc	NA	NA
+C10445	1,3-Dicaffeoylquinic acid	C25H24O12	516.1268	NA	KEGG	NA	NA
+C10468	Isochlorogenic acid b	C25H24O12	516.1268	NA	KEGG	NA	NA
+C16222	Formononetin 7-O-glucoside-6''-O-malonate	C25H24O12	516.1268	NA	KEGG	NA	NA
+MJ076271	?-D-Galactopyranuronosyl-(1?3)-?-D-galactopyranuronosyl-(1?3)-L-rhamnose 	C18H28O17	516.132649	NA	MeJP	NA	NA
+MJ076272	?-D-Glucopyranuronosyl-(1?3)-?-D-galactopyranuronosyl-(1?2)-L-rhamnose 	C18H28O17	516.132649	NA	MeJP	NA	NA
+MJ076273	?-D-Glucopyranuronosyl-(1?3)-?-D-galactopyranuronosyl-(1?2)-L-rhamnose 	C18H28O17	516.132649	NA	MeJP	NA	NA
+C12712	Carindacillin sodium	C26H25N2O6S	516.1331	NA	KEGG	NA	NA
+C12713	Transferred to D01284	C26H25N2O6S	516.1331	NA	KEGG	NA	NA
+C12714	Transferred to D01285	C26H25N2O6S	516.1331	NA	KEGG	NA	NA
+C12715	Transferred to D01286	C26H25N2O6S	516.1331	NA	KEGG	NA	NA
+C12716	Transferred to D01287	C26H25N2O6S	516.1331	NA	KEGG	NA	NA
+PJ003477	CCEY 	C20H28N4O8S2	516.1349	NA	PeJP	NA	NA
+HMDB00632	Dermatan	C18H30NO14S	516.13867	http://www.hmdb.ca/metabolites/HMDB00632	HMDB	NA	NA
+HMDB00632	Dermatan	C18H30NO14S	516.13867	HMDB00632	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00632	Dermatan	C18H30NO14S	516.138672	NA	HMDB2010	NA	NA
+FL4DACNC0003	Gericudranin A	C29H24O9	516.14203	169592-15-8	knapsack	NA	NA
+MJ076274	3,3',4',5,7-Pentahydroxy-6,8-bis(4-hydroxybenzyl)flavanone 	C29H24O9	516.142032	NA	MeJP	NA	NA
+MJ076275	Ustilaginoidin E 	C29H24O9	516.142032	NA	MeJP	NA	NA
+MJ076276	Viburnolide C; Me ester 	C22H28O14	516.147905	NA	MeJP	NA	NA
+MJ076277	Cloticasone; 17-Propanoyl 	C25H31ClF2O5S	516.154878	NA	MeJP	NA	NA
+MetaCyc03760	S-hydroxymethylmycothiol []	C18H32N2O13S1	516.16251	NA	metacyc	NA	NA
+FL3FAACS0086	Vitexin 2''-O-(2'''-methylbutyryl)	C26H28O11	516.16316	681152-43-2	knapsack	NA	NA
+FL5FAAGI0003	Epimedoside C	C26H28O11	516.16316	55394-98-4	knapsack	NA	NA
+MJ076278	2',4',5,7-Tetrahydroxy-3'-prenylisoflavone; 4'-O-?-D-Glucopyranoside 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076279	2',4',5,7-Tetrahydroxy-3'-prenylisoflavone; 7-O-?-D-Glucopyranoside 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076280	2',4',5,7-Tetrahydroxy-6-prenylisoflavone; 7-O-?-D-Glucopyranoside 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076281	3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-O-?-D-Glucopyranoside 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076282	Jasmolactone C; 3'-Hydroxy 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076283	Mutactimycin A; Di-O-de-Me 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076284	Perforatinolone 	C26H28O11	516.163161	NA	MeJP	NA	NA
+MJ076285	Steffimycin; 9-Demethoxy, 7-deoxo, 2'-O-de-Me 	C26H28O11	516.163161	NA	MeJP	NA	NA
+PJ003478	DDMH 	C19H28N6O9S	516.1639	NA	PeJP	NA	NA
+PJ003479	TCMY 	C21H32N4O7S2	516.1713	NA	PeJP	NA	NA
+PJ003480	GSCNH 	C18H28N8O8S	516.1751	NA	PeJP	NA	NA
+C10721	Rottlerin	C30H28O8	516.1784	NA	KEGG	NA	NA
+FL1C1ANI0028	Gemichalcone A;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone	C30H28O8	516.17841	189031-25-2	knapsack	NA	NA
+FL1CRTNP0001	Rottlerin	C30H28O8	516.17841	82-08-6	knapsack	NA	NA
+MJ076286	Eleuterogonzalone 	C30H28O8	516.178417	NA	MeJP	NA	NA
+MJ076287	Gemichalcone A 	C30H28O8	516.178417	NA	MeJP	NA	NA
+MJ076288	Gnetifolin D 	C30H28O8	516.178417	NA	MeJP	NA	NA
+MJ076289	Gnetifolin O; (E)-Isomer, 1-deoxy 	C30H28O8	516.178417	NA	MeJP	NA	NA
+MJ076290	Isoallorottlerin 	C30H28O8	516.178417	NA	MeJP	NA	NA
+MJ076291	Microcybin 	C30H28O8	516.178417	NA	MeJP	NA	NA
+MJ076292	Rottlerin 	C30H28O8	516.178417	NA	MeJP	NA	NA
+PJ003481	GPNDD 	C19H28N6O11	516.1816	NA	PeJP	NA	NA
+MJ076293	Ussurienoside I 	C23H32O13	516.184291	NA	MeJP	NA	NA
+PJ003482	GDYY 	C24H28N4O9	516.1856	NA	PeJP	NA	NA
+MJ076294	Ipobscurine C 	C29H28N2O7	516.189651	NA	MeJP	NA	NA
+C08440	Phaseolotoxin	C14H33N10O7PS	516.1992	NA	KEGG	NA	NA
+C08766	Harrisonin	C27H32O10	516.1995	NA	KEGG	NA	NA
+C09551	Spicatin	C27H32O10	516.1995	NA	KEGG	NA	NA
+MJ076295	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 6,9-Bis(3-furancarbonyl), 1-Ac 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076296	10,14-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide, 8-O-[2-(2-Hydroxymethyl-2E-butenoyloxymethyl)-2E-butenoyl], 2-Ac 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076297	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(3-methyl-2-butenoyl), 13-Ac 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076298	Baccharinoid B25 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076299	Deacyltaiwanschirin; 10-(2-Methylbutanoyl) 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076300	Harrisonin 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076301	Khayanolide A 	C27H32O10	516.199547	NA	MeJP	NA	NA
+MJ076302	Leptolepisol D 	C27H32O10	516.199547	NA	MeJP	NA	NA
+PJ003483	TEMH 	C20H32N6O8S	516.2003	NA	PeJP	NA	NA
+MJ076303	Maysenine 	C27H33ClN2O6	516.202714	NA	MeJP	NA	NA
+PJ003484	GMFY 	C25H32N4O6S	516.2043	NA	PeJP	NA	NA
+MJ076304	?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-L-rhamnose; 2',2''-Di-O-Me 	C20H36O15	516.20542	NA	MeJP	NA	NA
+MJ076305	Mitraphylline; Parent acid , 7-epimer, ?-D-glucopyranosyl ester 	C26H32N2O9	516.21078	NA	MeJP	NA	NA
+MJ076306	Mitraphylline; Parent acid, ?-D-glucopyranosyl ester 	C26H32N2O9	516.21078	NA	MeJP	NA	NA
+MJ076307	Strictosidine; Parent acid 	C26H32N2O9	516.21078	NA	MeJP	NA	NA
+MJ076308	Myxothiazole; Parent acid, Et ester 	C27H36N2O4S2	516.211649	NA	MeJP	NA	NA
+MJ076309	5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-2,2-dimethyl-10-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one; 4''-Cinnamoyl 	C31H32O7	516.214803	NA	MeJP	NA	NA
+MJ076310	5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8,8-dimethyl-4-propyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one; 4''-O-Cinnamoyl 	C31H32O7	516.214803	NA	MeJP	NA	NA
+MJ076311	Euchrenone b10 	C31H32O7	516.214803	NA	MeJP	NA	NA
+MJ076312	Euchrenone b11 	C31H32O7	516.214803	NA	MeJP	NA	NA
+MJ076313	Dolastatin I 	C24H32N6O5S	516.215488	NA	MeJP	NA	NA
+MJ076314	N-[2,3-Dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea 	C32H28N4O3	516.21614	NA	MeJP	NA	NA
+PJ003485	GSPQE 	C20H32N6O10	516.218	NA	PeJP	NA	NA
+PJ003486	VMMH 	C21H36N6O5S2	516.2189	NA	PeJP	NA	NA
+PJ003487	SHHH 	C21H28N10O6	516.2194	NA	PeJP	NA	NA
+PJ003488	ATYY 	C25H32N4O8	516.222	NA	PeJP	NA	NA
+MJ076315	Akuammiline; 5?,10-Dimethoxy, O-de-Ac, O-benzoyl 	C30H32N2O6	516.226036	NA	MeJP	NA	NA
+MJ076316	Picraline; 10-Methoxy, Na-Me, O-de-Ac, O-benzoyl 	C30H32N2O6	516.226036	NA	MeJP	NA	NA
+PJ003489	NQQQ 	C19H32N8O9	516.2292	NA	PeJP	NA	NA
+PJ003490	GGGAQQ 	C19H32N8O9	516.2293	NA	PeJP	NA	NA
+PJ003491	SPQW 	C24H32N6O7	516.2333	NA	PeJP	NA	NA
+MJ076317	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 6,9-di-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076318	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6-tri-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076319	1,2,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,14-tri-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076320	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-(hydroxyacetyl), 6-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076321	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8-tri-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076322	1,6,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076323	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,8,14-tri-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076324	6,7,11,15-Tetrahydroxy-1,16-kauradien-3-one, Tetra-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076325	Amoorastatone 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076326	Amoorstatin 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076327	Austalide B; 13-Ac 	C28H36O9	516.235932	NA	MeJP	NA	NA
+MJ076328	Citreohybriddione A 	C28H36O9	516.235932	NA	MeJP	NA	NA
+PJ003492	AAPQM 	C21H36N6O7S	516.2366	NA	PeJP	NA	NA
+PJ003493	GGGPVM 	C21H36N6O7S	516.2367	NA	PeJP	NA	NA
+PJ003494	GFFF 	C29H32N4O5	516.2373	NA	PeJP	NA	NA
+PJ003495	NNNR 	C18H32N10O8	516.2405	NA	PeJP	NA	NA
+7366	celiac sprue gluten epitope found in hordein	PQPQQPNPQ	516.24145	MH2+	Inhouse_peptide	NA	peptide
+MJ076329	Ajmaline; N-De-Me, 17-Ac, 21-O-?-D-glucopyranoside 	C27H36N2O8	516.247166	NA	MeJP	NA	NA
+MJ076330	Altoqualine 	C27H36N2O8	516.247166	NA	MeJP	NA	NA
+PJ003496	PNMR 	C20H36N8O6S	516.2479	NA	PeJP	NA	NA
+C13547	Norcholestenol iodomethyl (131 I)	C27H45IO	516.2532	NA	KEGG	NA	NA
+7365	celiac sprue gluten epitope found in hordein	PQPQEPIPQ	516.254	MH2+	Inhouse_peptide	NA	peptide
+PJ003497	GSPKE 	C21H36N6O9	516.2544	NA	PeJP	NA	NA
+PJ003498	VNER 	C20H36N8O8	516.2656	NA	PeJP	NA	NA
+MJ076331	Streptothricin; Streptothricin F, N5-Me 	C20H36N8O8	516.26561	NA	MeJP	NA	NA
+PJ003499	GGGGAAK 	C20H36N8O8	516.2657	NA	PeJP	NA	NA
+PJ003500	SPKW 	C25H36N6O6	516.2697	NA	PeJP	NA	NA
+C08810	Ajugalactone	C29H40O8	516.2723	NA	KEGG	NA	NA
+MJ076332	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropenoyl), 6-Me ether, 18,19-di-Ac 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076333	2,6,10,14-Phytatetraene-1,16-diol, O-Fumaroyl, O-(2-methylfumaroyl) 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076334	4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylpropanoyl), 13-angeloyl 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076335	Ajugalactone 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076336	Elaeodendroside B 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076337	Jaborotetrol; 12-Me ether 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076338	Lucidenic acid E2 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076339	Petuniolide G 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076340	Physalactone 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076341	Trichoverrol A; 12,13-Deepoxy, 12,13-didehydro, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076342	Trichoverrol A; 12,13-Deepoxy, 12,13-didehydro, 6'-epimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl), 2'E-isomer 	C29H40O8	516.272318	NA	MeJP	NA	NA
+MJ076343	Trichoverrol A; 7'-Epimer, 12,13-deepoxy, 12,13-didehydro, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O8	516.272318	NA	MeJP	NA	NA
+PJ003501	AAPKM 	C22H40N6O6S	516.273	NA	PeJP	NA	NA
+PJ003502	GERR 	C19H36N10O7	516.2769	NA	PeJP	NA	NA
+PJ003503	GVRW 	C24H36N8O5	516.2809	NA	PeJP	NA	NA
+8078	synthetic peptide	RWR	516.281	inhibitor	Inhouse_peptide	NA	peptide
+MJ076344	Plukenetione A; 28?,29-Epoxide 	C33H40O5	516.287574	NA	MeJP	NA	NA
+PJ003504	LQKE 	C22H40N6O8	516.2908	NA	PeJP	NA	NA
+PJ003505	RRW 	C23H36N10O4	516.2921	NA	PeJP	NA	NA
+C11991	L-Olivosyl-oleandolide	C26H44O10	516.2934	NA	KEGG	NA	NA
+MJ076345	7-Abietene-3,15,16,17,18-pentol, 3-O-?-D-Glucopyranoside 	C26H44O10	516.293447	NA	MeJP	NA	NA
+MJ076346	Pseudomonic acid A; 5-Hydroxy 	C26H44O10	516.293447	NA	MeJP	NA	NA
+MJ076347	Thymocartin 	C21H40N8O7	516.301995	NA	MeJP	NA	NA
+PJ003506	VDKR 	C21H40N8O7	516.302	NA	PeJP	NA	NA
+PJ003507	ALKW 	C26H40N6O5	516.306	NA	PeJP	NA	NA
+C08796	Cucurbitacin D	C30H44O7	516.3087	NA	KEGG	NA	NA
+C08802	Cucurbitacin L	C30H44O7	516.3087	NA	KEGG	NA	NA
+C08845	Adynerin	C30H44O7	516.3087	NA	KEGG	NA	NA
+MJ076348	1,3,12,20-Tetrahydroxywitha-5,24-dienolide, 3-Ac 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076349	1,3,24-Trihydroxycycloart-25-ene-21,28-dioic acid, 24-Ketone 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076350	16,22-Dihydroxy-24-methyl-12,24-dioxo-25-scalaranal; 16?-form, Di-Ac 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076351	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Deoxy, 2-hexanoyl, 18,19-di-Ac 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076352	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076353	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076354	22,25-Epoxy-3,11-dihydroxy-24-methylfurostano-18,20-lactone, 3-Ac 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076355	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076356	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-D-Diginoside 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076357	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-D-Sarmentoside 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076358	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-L-Oleandroside 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076359	3,15-Dihydroxycarda-16,20(22)-dienolide, 3-O-L-Oleandroside 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076360	3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076361	3,7,15-Trihydroxy-11,23-dioxolanosta-8,20(22)-dien-26-oic acid 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076362	3,7-Dihydroxy-11,15,23-trioxolanost-8-en-26-oic acid 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076363	7,15,23-Trihydroxy-3,11-dioxolanosta-8,24-dien-26-oic acid 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076364	7,15-Dihydroxy-3,11,23-trioxolanost-8-en-26-oic acid 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076365	8,14-Epoxy-3-hydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076366	Ceanothic acid; 27-Carboxylic acid 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076367	Gnidilatin; 5-Deoxy,12-debenzoyloxy 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076368	Oleagenin; D-Diginoside 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MJ076369	Pseudolarolide K 	C30H44O7	516.308703	NA	MeJP	NA	NA
+MetaCyc03761	cucurbitacin F []	C30H44O7	516.308704	NA	metacyc	NA	NA
+MJ076370	Probucol 	C31H48O2S2	516.309572	NA	MeJP	NA	NA
+C07373	Probucol	C31H48O2S2	516.3096	NA	KEGG	NA	NA
+C07374	Transferred to D00477	C31H48O2S2	516.3096	NA	KEGG	NA	NA
+PJ003508	SVRR 	C20H40N10O6	516.3133	NA	PeJP	NA	NA
+MJ076371	Schweinfurthin C 	C34H44O4	516.323959	NA	MeJP	NA	NA
+MJ076372	Antibiotic IC 202C 	C23H44N6O7	516.327147	NA	MeJP	NA	NA
+PJ003509	LKKE 	C23H44N6O7	516.3272	NA	PeJP	NA	NA
+MJ076373	Glycerol 1-alkanoates; Glycerol 1-(9Z,12Z-octadecadienoate), 3-O-?-D-Galactopyranoside 	C27H48O9	516.329833	NA	MeJP	NA	NA
+MJ076374	Dendrocrepine 	C33H44N2O3	516.335193	NA	MeJP	NA	NA
+PJ003510	TLKR 	C22H44N8O6	516.3384	NA	PeJP	NA	NA
+MJ076375	1,3,11-Trihydroxy-7-oxolanosta-8,24-dien-29-oic acid, 11-Me ether 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076376	1,3,25-Trihydroxy-21-oxocycloart-23-en-28-oic acid, Me ester 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076377	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12,16-Di-Ac 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076378	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, Di-Ac 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076379	2,3,25-Trihydroxycholesta-4,7-dien-6-one, 25-(3-Hydroxybutanoyl) 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076380	2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 28-Me ester 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076381	2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 30-Me ester 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076382	21,23-Epoxy-7,21,24,25-tetrahydroxy-1,14-apotirucalladien-3-one, 21-Me ether 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076383	25-Hydroxy-23-oxo-2,3-seco-20(22)-dammaren-2,11-olid-3-oic acid, Me ester 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076384	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 30-Me ester 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076385	5-Hydroxy-14-oxo-3-cedren-15-oic acid, 4-(16-Hydroxy-9Z-hexadecenoyl) 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076386	Cabraleahydroxylactone; 17?-Acetoxy, 3-Ac 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076387	Eucosterol; 15-Deoxo, 22R-acetoxy 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076388	Fusidic acid 	C31H48O6	516.345089	NA	MeJP	NA	NA
+MJ076389	Pseudolarolide C 	C31H48O6	516.345089	NA	MeJP	NA	NA
+C06694	Fusidic acid	C31H48O6	516.3451	NA	KEGG	NA	NA
+MJ076390	3,20-Diaminopregnane-2,4-diol, 5?,6?-Epoxide, N20,N20-di-Me, N3-tigloyl, 4-Ac 	C30H48N2O5	516.356322	NA	MeJP	NA	NA
+MJ076391	12-Oleanene-1,2,3,11-tetrol, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076392	12-Oleanene-3,16,22,28-tetrol, 16-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076393	12-Oleanene-3,6,16,28-tetrol, 16-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076394	12-Ursene-1,2,3,11-tetrol, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076395	12-Ursene-2,3,11,20-tetrol, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076396	12-Ursene-3,11-diol, 11-Hydroperoxide, 12?,13?-epoxide, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076397	13,28-Epoxy-3,16,22-oleananetriol, 22-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076398	13,28-Epoxy-3,16-dihydroxy-30-oleanal, 16-Ketone, 30-di-Me acetal 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076399	15,22-Dihydroxy-24-hopanoic acid; 15?-form, 15-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076400	16,22-Dihydroxy-23-hopanoic acid, O16-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076401	22,28-Dihydroxy-23-hopanoic acid; 28-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076402	3,11,13-Trihydroxy-12-oleananone, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076403	3,13,15-Trihydroxy-12-oleananone, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076404	4,4-Dimethylergosta-8,24(28)-diene-2,3,11,12-tetrol, 12-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076405	6,22-Dihydroxy-25-hopanoic acid; 6?-form, 6-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076406	7,22-Dihydroxy-27-hopanoic acid, 7-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076407	9(11)-Arborinene-2,3,7,19-tetrol, 2-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076408	9(11)-Arborinene-2,3,7,19-tetrol, 3-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076409	9,15-Dihydroxy-16-kauren-19-oic acid, 15-Dodecanoyl 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076410	Gorgost-5-ene-3,7,11,12-tetrol, 12-Ac 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076411	Iridogermanal; 16R-Acetoxy, 21-deoxy 	C32H52O5	516.381474	NA	MeJP	NA	NA
+MJ076412	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-Methyl-2-(pentaprenylmethyl)-2H-1-benzopyran-6-ol 	C36H52O2	516.39673	NA	MeJP	NA	NA
+MJ076413	2,13-Dihydroxy-6-protoilluden-8-one, 13-Octadecanoyl 	C33H56O4	516.41786	NA	MeJP	NA	NA
+MJ076414	3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-(9-octadecenoyl) 	C33H56O4	516.41786	NA	MeJP	NA	NA
+MJ076415	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Tricosyl ester 	C33H56O4	516.41786	NA	MeJP	NA	NA
+MJ076416	5,14:7,8-Diepoxy-5-marasmanol, Octadecanoyl 	C33H56O4	516.41786	NA	MeJP	NA	NA
+MJ076417	2-(4-Hydroxyphenyl)ethanol; 1-O-Hexacosanoyl 	C34H60O3	516.454245	NA	MeJP	NA	NA
+MJ076418	3-(4-Hydroxyphenyl)-1-propanol; 1-Pentacosanoyl 	C34H60O3	516.454245	NA	MeJP	NA	NA
+MJ076419	Capiquinones; Capiquinone K 	C34H60O3	516.454245	NA	MeJP	NA	NA
+MJ076420	6,27-Hexatriacontadien-2-one 	C36H68O	516.527016	NA	MeJP	NA	NA
+MJ076421	8,27-Hexatriacontadien-2-one 	C36H68O	516.527016	NA	MeJP	NA	NA
+MJ076422	Aerophobin 2; N-Me (X = NHMe) 	C17H21Br2N5O4	516.996029	NA	MeJP	NA	NA
+MJ076423	Oganomycin H 	C18H23N5O7S3	517.07596	NA	MeJP	NA	NA
+PJ003511	SCCCC 	C15H27N5O7S4	517.0794	NA	PeJP	NA	NA
+MJ076424	[1,2,4-Benzenetricarboxylato(3-)-O1,O2](1,2-cyclohexanediamine-N,N')platinate(II)(1-) 	C15H17N2O6Pt(-)	517.08126	NA	MeJP	NA	NA
+FL7ARXGL0001	5-Carboxypyranocyanidin 3-O-beta-glucopyranoside	C24H21O13	517.09821	566942-52-7	knapsack	NA	NA
+C13978	Talampicillin hydrochloride	C24H23N3O6S	517.1074	NA	KEGG	NA	NA
+C13979	Transferred to D02202	C24H23N3O6S	517.1074	NA	KEGG	NA	NA
+MJ076425	Neoacrimarine F; N-De-Me 	C28H23NO9	517.137281	NA	MeJP	NA	NA
+MJ076426	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-(tri-O-acetyl-?-L-rhamnopyranoside) 	C25H27NO11	517.15841	NA	MeJP	NA	NA
+PJ003512	GSCDH 	C18H27N7O9S	517.1591	NA	PeJP	NA	NA
+C14034	Piperacillin	C23H27N5O7S	517.1631	NA	KEGG	NA	NA
+C14035	Transferred to D02252	C23H27N5O7S	517.1631	NA	KEGG	NA	NA
+C14036	Transferred to D02253	C23H27N5O7S	517.1631	NA	KEGG	NA	NA
+C14037	Transferred to D02254	C23H27N5O7S	517.1631	NA	KEGG	NA	NA
+C14038	Transferred to D02255	C23H27N5O7S	517.1631	NA	KEGG	NA	NA
+MJ076427	Piperacillin 	C23H27N5O7S	517.163118	NA	MeJP	NA	NA
+MJ076428	?-D-Fructofuranosyl-(2?3)-?-D-glucopyranuronosyl-(1?3)-2-amino-2-deoxy-D-galactose 	C18H31NO16	517.164283	NA	MeJP	NA	NA
+PJ003513	GPDDD 	C19H27N5O12	517.1656	NA	PeJP	NA	NA
+PJ003514	CQMH 	C19H31N7O6S2	517.1777	NA	PeJP	NA	NA
+MJ076429	?,?'-[[[2-[4-(2-Ethoxyethoxy)phenyl]ethyl]imino]bis(methylene)]bis[3-chlorobenzenemethanol] 	C28H33Cl2NO4	517.178663	NA	MeJP	NA	NA
+PJ003515	SPPCD 	C20H31N5O9S	517.1843	NA	PeJP	NA	NA
+PJ003516	CCHR 	C18H31N9O5S2	517.189	NA	PeJP	NA	NA
+PJ003517	GSSMH 	C19H31N7O8S	517.1955	NA	PeJP	NA	NA
+PJ003518	GSPEE 	C20H31N5O11	517.202	NA	PeJP	NA	NA
+PJ003519	APPCM 	C21H35N5O6S2	517.2029	NA	PeJP	NA	NA
+PJ003520	SSSTH 	C19H31N7O10	517.2133	NA	PeJP	NA	NA
+PJ003521	CKMH 	C20H35N7O5S2	517.2141	NA	PeJP	NA	NA
+PJ003522	SPEW 	C24H31N5O8	517.2173	NA	PeJP	NA	NA
+PJ003523	AAPEM 	C21H35N5O8S	517.2207	NA	PeJP	NA	NA
+PJ003524	NNDR 	C18H31N9O9	517.2245	NA	PeJP	NA	NA
+PJ003525	GQQW 	C23H31N7O7	517.2285	NA	PeJP	NA	NA
+MJ076430	1,6,9,14-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,6,14-tri-Ac 	C27H35NO9	517.231181	NA	MeJP	NA	NA
+MJ076431	Harringtonine; Parent acid 	C27H35NO9	517.231181	NA	MeJP	NA	NA
+MJ076432	Isoharringtonine; Parent acid 	C27H35NO9	517.231181	NA	MeJP	NA	NA
+MJ076433	Lankacidin P 	C27H35NO9	517.231181	NA	MeJP	NA	NA
+MJ076434	Nocamycin I; N-Me 	C27H35NO9	517.231181	NA	MeJP	NA	NA
+PJ003526	PDMR 	C20H35N7O7S	517.2319	NA	PeJP	NA	NA
+PJ003527	PCLW 	C25H35N5O5S	517.2359	NA	PeJP	NA	NA
+PJ003528	LQEE 	C21H35N5O10	517.2384	NA	PeJP	NA	NA
+PJ003529	PQHH 	C22H31N9O6	517.2398	NA	PeJP	NA	NA
+2835	oxitocin	SYIQNSPLGG	517.24495	MH2+	Inhouse_peptide	NA	peptide
+MJ076435	Sanyonamine; 11?-Acetoxy, 2-benzoyl, Ac 	C31H35NO6	517.246437	NA	MeJP	NA	NA
+PJ003530	NQKE 	C20H35N7O9	517.2496	NA	PeJP	NA	NA
+PJ003531	VDER 	C20H35N7O9	517.2497	NA	PeJP	NA	NA
+MJ076436	Plicacetin 	C25H35N5O7	517.253648	NA	MeJP	NA	NA
+PJ003532	ALEW 	C25H35N5O7	517.2537	NA	PeJP	NA	NA
+PJ003533	GPTLM 	C22H39N5O7S	517.257	NA	PeJP	NA	NA
+PJ003534	SQQR 	C19H35N9O8	517.2609	NA	PeJP	NA	NA
+PJ003535	GQKW 	C24H35N7O6	517.2649	NA	PeJP	NA	NA
+PJ003536	LKEE 	C22H39N5O9	517.2748	NA	PeJP	NA	NA
+PJ003537	PKHH 	C23H35N9O5	517.2761	NA	PeJP	NA	NA
+MJ076437	Paspalitrem B 	C32H39NO5	517.282823	NA	MeJP	NA	NA
+MJ076438	Terpendole K 	C32H39NO5	517.282823	NA	MeJP	NA	NA
+PJ003538	TLER 	C21H39N7O8	517.286	NA	PeJP	NA	NA
+MJ076439	Mycalamide A; 17-Me ether 	C25H43NO10	517.288696	NA	MeJP	NA	NA
+C17009	Mycalamide B	C25H43NO10	517.2887	NA	KEGG	NA	NA
+PJ003539	SLLW 	C26H39N5O6	517.29	NA	PeJP	NA	NA
+PJ003540	VTLW 	C26H39N5O6	517.2901	NA	PeJP	NA	NA
+PJ003541	AALLM 	C23H43N5O6S	517.2934	NA	PeJP	NA	NA
+PJ003542	SQKR 	C20H39N9O7	517.2973	NA	PeJP	NA	NA
+PJ003543	GKKW 	C25H39N7O5	517.3013	NA	PeJP	NA	NA
+PJ003544	VLMR 	C22H43N7O5S	517.3047	NA	PeJP	NA	NA
+PJ003545	ATTLL 	C23H43N5O8	517.3112	NA	PeJP	NA	NA
+EUR655	Lyso PC 16:0 [M+Na]+	C24H50NO7P	517.314438	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR655	Lyso PC 16:0 [M+Na]+	C24H50NO7P	517.314438	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR655	Lyso PC 16:0 [M+Na]+	C24H50NO7P	517.314438	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR655	Lyso PC 16:0 [M+Na]+	C24H50NO7P	517.314438	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10387	LysoPC(18:3(6Z,9Z,12Z))	C26H48NO7P	517.316833	NA	HMDB2010	NA	NA
+HMDB10388	LysoPC(18:3(9Z,12Z,15Z))	C26H48NO7P	517.316833	NA	HMDB2010	NA	NA
+EUR724	Lyso PC 18:3 monoisotopic mass 	C26H48NO7P	517.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR724	Lyso PC 18:3 monoisotopic mass 	C26H48NO7P	517.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR724	Lyso PC 18:3 monoisotopic mass 	C26H48NO7P	517.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR724	Lyso PC 18:3 monoisotopic mass 	C26H48NO7P	517.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR565	LysoPC(18:3)	[M+H]+	517.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR565	LysoPC(18:3)	[M+H]+	517.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR565	LysoPC(18:3)	[M+H]+	517.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR565	LysoPC(18:3)	NA	517.316875	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR565	LysoPC(18:3)	[M+H]+	517.316875	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR565	LysoPC(18:3)	NA	517.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+PJ003546	DKKK 	C22H43N7O7	517.3224	NA	PeJP	NA	NA
+PJ003547	SKKR 	C21H43N9O6	517.3336	NA	PeJP	NA	NA
+MJ076440	Ambruticin VS 5; N,N-Di-Me, N-oxide 	C30H47NO6	517.340338	NA	MeJP	NA	NA
+MJ076441	Holarosine A 	C30H47NO6	517.340338	NA	MeJP	NA	NA
+MJ076442	Mitiphylline; N-De-Me 	C30H47NO6	517.340338	NA	MeJP	NA	NA
+3814	ileum contracting peptide	YPMYPLPR	517.7537	MH2+	Inhouse_peptide	NA	peptide
+7040	synthetic peptide from alpha-gliadin	IAPFGIFGTN	517.76245	MH2+	Inhouse_peptide	NA	peptide
+MJ076443	Benziodarone 	C17H12I2O3	517.887581	NA	MeJP	NA	NA
+MJ076444	Dithiazanine(1+); Iodide 	C23H23IN2S2	518.034733	NA	MeJP	NA	NA
+MJ076445	Aluminium carbonate; Basic aluminium carbonate 	CH30Al4O23	518.043941	NA	MeJP	NA	NA
+MJ076446	Swertiabisxanthone I 	C26H14O12	518.048525	NA	MeJP	NA	NA
+MJ076447	Angasiol; Ac 	C22H32Br2O4	518.066734	NA	MeJP	NA	NA
+MJ076448	Sirodesmin A; Trisulfide homologue 	C20H26N2O8S3	518.085127	NA	MeJP	NA	NA
+MJ076449	1-Hydroxy-5-methoxy-6-methyl-2(1H)-pyridinone; Fe complex (3:1) 	C21H24FeN3O9	518.086196	NA	MeJP	NA	NA
+C10020	Apigenin 7-(6''-malonylglucoside)	C24H22O13	518.106	NA	KEGG	NA	NA
+C16192	Malonylgenistin	C24H22O13	518.106	NA	KEGG	NA	NA
+MJ076450	3,4',5,7,8-Pentahydroxyflavone; 8-O-(2,3-Di-O-acetyl-?-D-xylopyranoside) 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076451	3,4',5,7,8-Pentahydroxyflavone; 8-O-(3,4-Di-O-acetyl-?-L-arabinopyranoside) 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076452	4',5,7-Trihydroxyflavone; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076453	4',5,7-Trihydroxyflavone; 7-O-(2-?-D-Glucuronopyranosyloxypropanoyl) 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076454	4',5,7-Trihydroxyisoflavone; 7-O-(6-O-Malonyl-D-glucoside) 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076455	5,6,7-Trihydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076456	8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 6''-O-Malonyl 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076457	Cosmosiin; 6''-O-Malonyl 	C24H22O13	518.10604	NA	MeJP	NA	NA
+MJ076458	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H23O13(+)	518.10604	NA	MeJP	NA	NA
+FL3FAAGS0038	Apigenin 5-(6''-malonylglucoside)	C24H22O13	518.10604	130733-28-7	knapsack	NA	NA
+FL3FAAGS0039	Apigenin 7-(6''-malonylglucoside)	C24H22O13	518.10604	86546-87-4	knapsack	NA	NA
+FL3FAAGS0044	Apigenin 7-(2''-glucuronosyllactate)	C24H22O13	518.10604	126394-92-1	knapsack	NA	NA
+FL3FE9GS0009	5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)	C24H22O13	518.10604	-	knapsack	NA	NA
+FL5FFAGS0023	Herbacetin 8-(2'',3''-diacetylxyloside)	C24H22O13	518.10604	58902-12-8	knapsack	NA	NA
+FLIAAAGS0008	Genistein 7-O-glucoside-6''-malonate	C24H22O13	518.10604	51011-05-3	knapsack	NA	NA
+MetaCyc03762	malonylgenistin []	C24H22O13	518.106041	NA	metacyc	NA	NA
+MetaCyc03763	apigenin 7-O-(6-malonyl-&beta;-D-glucoside) []	C24H22O13	518.106041	NA	metacyc	NA	NA
+MJ076459	Didethiodi(methylthio)acetylapoaranotin 	C24H26N2O7S2	518.118142	NA	MeJP	NA	NA
+MJ076460	Asystasioside E; 6-O-(4-Hydroxybenzoyl) 	C22H27ClO12	518.119104	NA	MeJP	NA	NA
+MJ076461	Glutinoside; 6-O-(4-Hydroxybenzoyl) 	C22H27ClO12	518.119104	NA	MeJP	NA	NA
+MJ076462	Cephalochromin 	C28H22O10	518.121296	NA	MeJP	NA	NA
+MJ076463	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5,7-Di-O-?-D-glucopyranoside 	C21H26O15	518.12717	NA	MeJP	NA	NA
+MJ076464	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C21H26O15	518.12717	NA	MeJP	NA	NA
+PJ003548	CCMY 	C20H30N4O6S3	518.1328	NA	PeJP	NA	NA
+C16224	Medicarpin 3-O-glucoside-6'-malonate	C25H26O12	518.1424	NA	KEGG	NA	NA
+FL3FEAGS0053	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside);Lantanoside;7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C25H26O12	518.14242	274687-65-9	knapsack	NA	NA
+FLID1AGS0002	Medicarpin 3-O-(6'-malonylgluclside)	C25H26O12	518.14242	131653-24-2	knapsack	NA	NA
+MJ076465	1,4,5-Naphthalenetriol; 4-O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?6)-?-D-glucopyranoside] 	C25H26O12	518.142426	NA	MeJP	NA	NA
+MJ076466	3-Hydroxy-9-methoxypterocarpan, 3-O-(6-O-Malonoyl-?-D-glucopyranoside) 	C25H26O12	518.142426	NA	MeJP	NA	NA
+MJ076467	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C25H26O12	518.142426	NA	MeJP	NA	NA
+MJ076468	Aloin, 7-Hydroxy, 4',6'-di-Ac 	C25H26O12	518.142426	NA	MeJP	NA	NA
+MJ076469	Trioxacarcin A; Aglycone 	C25H26O12	518.142426	NA	MeJP	NA	NA
+MetaCyc03764	(-)-medicarpin-3-O-glucoside-6''-malonate []	C25H26O12	518.142426	NA	metacyc	NA	NA
+MJ076470	Glucametacin 	C25H27ClN2O8	518.145593	NA	MeJP	NA	NA
+MJ076471	?-D-Glucopyranuronosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076472	?-D-Glucopyranuronosyl-(1?6)-?-D-galactopyranosyl-(1?6)-D-galactose 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076473	?-D-Mannopyranuronosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-galactose 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076474	myo-Inositol; 2-O-[?-D-Mannopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076475	?-D-Galactopyranosyl-(1?3)-[?-D-glucopyranuronosyl-(1?2)]-D-mannose 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076476	?-D-Glucopyranosyl-(1?2)-?-D-glucopyranuronosyl-(1?3)-D-mannose 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076477	?-D-Mannopyranosyl-(1?4)-?-D-glucopyranuronosyl-(1?2)-D-mannose 	C18H30O17	518.148299	NA	MeJP	NA	NA
+MJ076478	6,6'-Methylenebis[1,2-dihydro-2,2-dimethyl-4-quinolinemethanesulfonic acid] 	C25H30N2O6S2	518.154528	NA	MeJP	NA	NA
+C12116	Esmeraldic acid	C30H22N4O5	518.159	NA	KEGG	NA	NA
+PJ003549	CEMH 	C19H30N6O7S2	518.1618	NA	PeJP	NA	NA
+MJ076479	10-Hydroxyoleoside, 6',10-Di-Ac, di-Me ester 	C22H30O14	518.163555	NA	MeJP	NA	NA
+MJ076480	Gentiopicroside; 3'-O-?-D-Glucopyranosyl 	C22H30O14	518.163555	NA	MeJP	NA	NA
+MJ076481	Sucrose; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C22H30O14	518.163555	NA	MeJP	NA	NA
+MJ076482	Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C22H30O14	518.163555	NA	MeJP	NA	NA
+PJ003550	CCFF 	C24H30N4O5S2	518.1658	NA	PeJP	NA	NA
+C09808	Phellamurin	C26H30O11	518.1788	NA	KEGG	NA	NA
+C10885	Simplexoside	C26H30O11	518.1788	NA	KEGG	NA	NA
+C16767	Rubratoxin B	C26H30O11	518.1788	NA	KEGG	NA	NA
+FL2FAAGI0003	Phellodensin E;5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone 7-glucoside	C26H30O11	518.17881	531503-85-2	knapsack	NA	NA
+FL4DAAGI0001	Phellamurin	C26H30O11	518.17881	52589-11-4	knapsack	NA	NA
+FL4DAAGI0004	Phellochinin A;3,5,7,4'-Tetrahydroxy-3'-prenylflavanone 7-glucoside	C26H30O11	518.17881	220860-05-9	knapsack	NA	NA
+FL4DAAGP0001	Phellodendroside	C26H30O11	518.17881	40451-69-2	knapsack	NA	NA
+MJ076483	3,4',5,7-Tetrahydroxy-3'-prenylflavanone, 7-O-?-D-Glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076484	4',5,7-Trihydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 7-O-?-D-glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076485	4,18:7,20-Diepoxy-15,19,20-trihydroxy-6-oxo-11-cleroden-16,15-olide, Tri-Ac 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076486	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-Aldehyde, 3',5-di-Me ether, 9'-O-?-D-glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076487	Fibleucin; 4-O-?-D-Glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076488	Neophellamuretin, 7-O-?-D-Glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076489	Phellamuretin; 3-O-?-D-Glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076490	Piperitol, O-?-D-Glucopyranoside 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076491	Rubratoxin A; 25-Ketone 	C26H30O11	518.178811	NA	MeJP	NA	NA
+MJ076492	Rutaevinexic acid 	C26H30O11	518.178811	NA	MeJP	NA	NA
+PJ003551	GPCNE 	C19H30N6O9S	518.1795	NA	PeJP	NA	NA
+PJ003552	ACYY 	C24H30N4O7S	518.1835	NA	PeJP	NA	NA
+MJ076493	chiro-Inositol, 4-Me, 2-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C19H34O16	518.184685	NA	MeJP	NA	NA
+HMDB04135	Poly-g-D-glutamate	C20H30N4O12	518.186035	NA	HMDB2010	NA	NA
+MJ076494	Antibiotic TAN 1532B; 13-Me ether 	C30H30O8	518.194067	NA	MeJP	NA	NA
+MJ076495	Gossypol 	C30H30O8	518.194067	NA	MeJP	NA	NA
+MJ076496	Mallotus B 	C30H30O8	518.194067	NA	MeJP	NA	NA
+C07667	Gossypol	C30H30O8	518.1941	NA	KEGG	NA	NA
+PJ003553	PCNW 	C23H30N6O6S	518.1948	NA	PeJP	NA	NA
+PJ003554	NQEE 	C19H30N6O11	518.1973	NA	PeJP	NA	NA
+PJ003555	TMMH 	C20H34N6O6S2	518.1981	NA	PeJP	NA	NA
+MJ076497	5-(2-Propenyl)-1,2,3-benzenetriol; 1,3-Di-Me ether, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C23H34O13	518.199941	NA	MeJP	NA	NA
+MJ076498	Jioglutoside B 	C23H34O13	518.199941	NA	MeJP	NA	NA
+PJ003556	SSYY 	C24H30N4O9	518.2013	NA	PeJP	NA	NA
+MJ076499	Ipobscurine B 	C29H30N2O7	518.205301	NA	MeJP	NA	NA
+PJ003557	NDDR 	C18H30N8O10	518.2085	NA	PeJP	NA	NA
+MJ076500	Maculalactone E; 3?,3a?-Epoxide 	C34H30O5	518.209324	NA	MeJP	NA	NA
+PJ003558	GQEW 	C23H30N6O8	518.2125	NA	PeJP	NA	NA
+MJ076501	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-O-[2-[(4-Hydroxy-2-hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl], 3-Ac 	C27H34O10	518.215197	NA	MeJP	NA	NA
+MJ076502	3,8-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 8-[4-Hydroxy-2-(2-hydroxymethyl-2E-butenoyloxy)methyl-2E-butenoyl], 3-Ac 	C27H34O10	518.215197	NA	MeJP	NA	NA
+MJ076503	Cedrodorin; 9?-Hydroxy 	C27H34O10	518.215197	NA	MeJP	NA	NA
+MJ076504	Haperforin D 	C27H34O10	518.215197	NA	MeJP	NA	NA
+MJ076505	Khayanolide B 	C27H34O10	518.215197	NA	MeJP	NA	NA
+MJ076506	Verrucarin A; 16-Hydroxy 	C27H34O10	518.215197	NA	MeJP	NA	NA
+MJ076507	Verrucarin A; 8-Hydroxy 	C27H34O10	518.215197	NA	MeJP	NA	NA
+C09533	Provincialin	C27H34O10	518.2152	NA	KEGG	NA	NA
+PJ003559	GSPQM 	C20H34N6O8S	518.2159	NA	PeJP	NA	NA
+C16543	NPC	C28H30N4O6	518.2165	NA	KEGG	NA	NA
+MJ076508	Lurtotecan 	C28H30N4O6	518.216534	NA	MeJP	NA	NA
+3122	a1-chain of collagen fr,:434-438	KDGEA	518.2209	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003560	LEEE 	C21H34N4O11	518.2224	NA	PeJP	NA	NA
+PJ003561	PEHH 	C22H30N8O7	518.2238	NA	PeJP	NA	NA
+PJ003562	GSPCR 	C19H34N8O7S	518.2271	NA	PeJP	NA	NA
+PJ003563	QWW 	C27H30N6O5	518.2278	NA	PeJP	NA	NA
+PJ003564	CLHF 	C24H34N6O5S	518.2312	NA	PeJP	NA	NA
+PJ003565	NKEE 	C20H34N6O10	518.2337	NA	PeJP	NA	NA
+3422	ACE inhibitor	SAYPGQITSN	518.23445	MH2+	Inhouse_peptide	NA	peptide
+MJ076509	3,4-Dihydroxy-5,7-megastigmadien-9-one; 4-O-[Apiofuranosyl-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+MJ076510	3,5-Dihydroxy-6,7-megastigmadien-9-one; 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+MJ076511	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+MJ076512	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+MJ076513	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+MJ076514	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+MJ076515	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H38O12	518.236326	NA	MeJP	NA	NA
+3132	ester transferases inhibitor	WRMWYVP	518.2412	MH2+	Inhouse_peptide	NA	peptide
+MJ076516	Fumadensine 	C30H34N2O6	518.241686	NA	MeJP	NA	NA
+MJ076517	18(13?17)-Abeo-6-chloro-16,22-epoxy-4,5-dihydroxy-1-oxoergosta-2,13,24-trien-26-oic acid, Me ester 	C29H39ClO6	518.243516	NA	MeJP	NA	NA
+PJ003566	SQER 	C19H34N8O9	518.2449	NA	PeJP	NA	NA
+MJ076518	Cyclo(alanylalanylvalyltyrosylglycylglycyl) 	C24H34N6O7	518.248897	NA	MeJP	NA	NA
+PJ003567	GKEW 	C24H34N6O7	518.2489	NA	PeJP	NA	NA
+MJ076519	1,2-Dihydroxy-3,11(13)-eudesmadien-12,8-olid-14-oic acid, Di-Ac, 4,5-dimethyl-3-oxo-2-heptyl ester 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076520	1,4,9,20-Tetraacetoxy-1,3(20),6,10,14-phytapentaen-19-al 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076521	11,12-Epoxy-2,3,14-trihydroxy-5,8(17)-briaradien-18,7-olide, 2-Butanoyl, 3,14-di-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076522	11,12-Epoxy-2,4,14-trihydroxy-5,8(17)-briaradien-18,7-olide; 2-Butanoyl, 4,14-di-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076523	13(16),14-Spongiadiene-2,3,17,19-tetrol, Tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076524	16-Kaurene-3,6,7,11,15-pentol, 11-Ketone, tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076525	16-Kaurene-3,6,7,11,15-pentol, 15-Ketone, tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076526	16-Kaurene-3,6,7,11,15-pentol, 6-Ketone, tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076527	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Ketone, 7-butanoyl, 18,19-di-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076528	2,3,11,15-Tetrahydroxy-16-kauren-6-one, Tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076529	2,3,6,11-Tetrahydroxy-16-kauren-15-one, Tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076530	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, Tetra-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076531	3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide, 3-O-?-D-Xylopyranoside 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076532	8-Daucene-2,4,6,10-tetrol, 6-(3,4-Dimethoxybenzoyl), 2,10-di-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076533	Austalide H; 13-Ac 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076534	Chlorodesmin 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076535	Opuntial 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076536	Visconolide 	C28H38O9	518.251582	NA	MeJP	NA	NA
+MJ076537	Xenicin 	C28H38O9	518.251582	NA	MeJP	NA	NA
+PJ003568	GSPKM 	C21H38N6O7S	518.2523	NA	PeJP	NA	NA
+C04217	all-trans-Pentaprenyl diphosphate	C25H44O7P2	518.2562	NA	KEGG	NA	NA
+C17435	di-trans,poly-cis-Pentaprenyl diphosphate	C25H44O7P2	518.2562	NA	KEGG	NA	NA
+HMDB12231	Geranylfarnesyl diphosphate	C25H44O7P2	518.256226	NA	HMDB2010	NA	NA
+MetaCyc03765	all-trans-pentaprenyl diphosphate [geranylfarnesyl diphosphate;]	C25H44O7P2	518.256227	NA	metacyc	NA	NA
+PJ003569	GTRW 	C23H34N8O6	518.2601	NA	PeJP	NA	NA
+MJ076538	Ajmaline; N-Propyl, hydrogen tartrate 	C27H38N2O8	518.262816	NA	MeJP	NA	NA
+PJ003570	VNMR 	C20H38N8O6S	518.2635	NA	PeJP	NA	NA
+PJ003571	KWW 	C28H34N6O4	518.2642	NA	PeJP	NA	NA
+MJ076539	Betamethasone; 17-Pentanoyl, 21-Ac 	C29H39FO7	518.267981	NA	MeJP	NA	NA
+PJ003572	SSPTK 	C21H38N6O9	518.27	NA	PeJP	NA	NA
+PJ003573	DKKE 	C21H38N6O9	518.2701	NA	PeJP	NA	NA
+MJ076540	Virenamide B 	C30H38N4O2S	518.271547	NA	MeJP	NA	NA
+MJ076541	5-Megastigmene-3,9-diol, 9-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H42O11	518.272712	NA	MeJP	NA	NA
+MJ076542	9-Hydroxy-4-megastigmen-3-one, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H42O11	518.272712	NA	MeJP	NA	NA
+PJ003574	GMRR 	C19H38N10O5S	518.2748	NA	PeJP	NA	NA
+MJ076543	Talassicumine B 	C31H38N2O5	518.278072	NA	MeJP	NA	NA
+PJ003575	SKER 	C20H38N8O8	518.2813	NA	PeJP	NA	NA
+3312	NA	LLHH	518.284	celiac toxic	Inhouse_peptide	NA	peptide
+MJ076544	Segetalin G 	C25H38N6O6	518.285282	NA	MeJP	NA	NA
+PJ003576	SVKW 	C25H38N6O6	518.2853	NA	PeJP	NA	NA
+MJ076545	16,24-Epoxy-21,24,25-trihydroxy-17-cheilanthen-19,25-olide, 21,24-Di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076546	18,19-Epoxy-12,14-clerodadiene-2,6,18,19-tetrol, 2-Tigloyl, 18,19-di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076547	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(Methylpropanoyl), 6-Me ether, 18,19-di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076548	18,19-Epoxy-3,12,14-clerodatriene-2,7,18,19-tetrol, 2-Me ether, 7-butanoyl, 18,19-di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076549	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(2-Methylbutanoyl), 18,19-di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076550	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Me ether, 2-(2-methylpropanoyl), 18,19-di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076551	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(2-Methylbutanoyl), 18,19-di-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076552	2,3,14,20,28-Pentahydroxy-6-oxostigmasta-7,24-dien-26,22-olide 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076553	2,3,14,20-Tetrahydroxy-6,22-dioxostigmast-7-en-26,28-olide 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076554	2,3,14,21,22-Pentahydroxy-6-oxoergosta-7,24(28)-dien-29,25-olide 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076555	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-ribo-hexopyranoside) 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076556	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076557	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-ribo-hexopyranoside) 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076558	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-xylo-hexopyranoside) 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076559	3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-?-L-Rhamnopyranoside 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076560	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-Propanoyl, 2,5,10-tri-Ac 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076561	Colletotrichin; 3''-O-Formyl 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076562	Colletotrichin; 3-O-Formyl 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076563	Gomphoside 	C29H42O8	518.287968	NA	MeJP	NA	NA
+MJ076564	Gomphotin 	C29H42O8	518.287968	NA	MeJP	NA	NA
+PJ003577	LQKM 	C22H42N6O6S	518.2887	NA	PeJP	NA	NA
+C10013	Sativanine B	C30H38N4O4	518.2893	NA	KEGG	NA	NA
+MJ076565	Lotusine A 	C30H38N4O4	518.289305	NA	MeJP	NA	NA
+MJ076566	Sativanine B 	C30H38N4O4	518.289305	NA	MeJP	NA	NA
+PJ003578	STRR 	C19H38N10O7	518.2925	NA	PeJP	NA	NA
+PJ003579	LLHH 	C24H38N8O5	518.2965	NA	PeJP	NA	NA
+MJ076567	Lebstatin; 17-Demethoxy 	C28H42N2O7	518.299201	NA	MeJP	NA	NA
+PJ003580	CLKR 	C21H42N8O5S	518.2999	NA	PeJP	NA	NA
+C09941	Hypercalin B	C33H42O5	518.3032	NA	KEGG	NA	NA
+MJ076568	Fissistigmatin A 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076569	Fissistigmatin D 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076570	Hypercalin B 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076571	Nemorosone; 13-Hydroxy 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076572	Sampsonione B 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076573	Sampsonione G 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076574	Sampsonione L 	C33H42O5	518.303224	NA	MeJP	NA	NA
+MJ076575	Xerophenone A 	C33H42O5	518.303224	NA	MeJP	NA	NA
+PJ003581	GTTLK 	C22H42N6O8	518.3064	NA	PeJP	NA	NA
+MJ076576	Calycosidine 	C33H38N6	518.315795	NA	MeJP	NA	NA
+MJ076577	Hodgkinsine 	C33H38N6	518.315795	NA	MeJP	NA	NA
+C09211	Hodgkinsine	C33H38N6	518.3158	NA	KEGG	NA	NA
+PJ003582	PKKF 	C26H42N6O5	518.3217	NA	PeJP	NA	NA
+MJ076578	1,2,3-Trihydroxy-7-fernene-23,25-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076579	2,16,20,22,25-Pentahydroxycucurbita-5,23-diene-3,11-dione 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076580	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 23,24-Dihydro 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076581	2,3,13,16-Tetrahydroxy-23,28-oleananedioic acid, 28?13-Lactone 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076582	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076583	2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076584	2,3,16-Trihydroxy-13(18)-oleanene-23,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076585	2,3,18-Trihydroxy-12-oleanene-23,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076586	2,3,19-Trihydroxy-12-oleanene-23,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076587	2,3,19-Trihydroxy-12-oleanene-24,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076588	2,3,19-Trihydroxy-12-ursene-23,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076589	2,3,19-Trihydroxy-12-ursene-24,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076590	2,3,20-Trihydroxy-12-ursene-24,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076591	2,3,23,24-Tetrahydroxy-12-ursen-28-oic acid, 23-Carboxylic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076592	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076593	2,3,27-Trihydroxy-12-oleanene-23,28-dioic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076594	2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076595	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 6-Ketone, 4-octanoyl, 11-Ac 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076596	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076597	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076598	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076599	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076600	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076601	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076602	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076603	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-xylo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076604	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076605	3,15,29-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076606	3,25-Epoxy-1,2,3,11-tetrahydroxy-12-ursen-28-oic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076607	3,6,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-Carboxylic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076608	3,7,15-Trihydroxy-11,23-dioxolanost-8-en-26-oic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076609	4(20),11-Taxadiene-2,5,10,14-tetrol, 10-Me ether, 14-(2-methylbutanoyl), 2,5-di-Ac 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076610	Cecropiacic acid 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076611	Galphimine B 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076612	Kraussianin; 21-Epimer, 3-O-debenzoyl, 5,28-dideoxy 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076613	Lurlenic acid; 1-Alcohol 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076614	Musancropic acid A 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076615	Musancropic acid B 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076616	Perulactone 	C30H46O7	518.324353	NA	MeJP	NA	NA
+MJ076617	Saponaceolide A 	C30H46O7	518.324353	NA	MeJP	NA	NA
+C08798	Cucurbitacin F	C30H46O7	518.3244	NA	KEGG	NA	NA
+C08803	Cucurbitacin O	C30H46O7	518.3244	NA	KEGG	NA	NA
+PJ003583	LKKM 	C23H46N6O5S	518.3251	NA	PeJP	NA	NA
+MJ076618	Discarine H 	C28H46N4O5	518.34682	NA	MeJP	NA	NA
+MJ076619	Discarine L 	C28H46N4O5	518.34682	NA	MeJP	NA	NA
+MJ076620	Buxalfine 	C33H46N2O3	518.350843	NA	MeJP	NA	NA
+MJ076621	Buxdeltine 	C33H46N2O3	518.350843	NA	MeJP	NA	NA
+MJ076622	1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, Me ester 	C31H50O6	518.360739	NA	MeJP	NA	NA
+MJ076623	1,3,21,24-Tetrahydroxycycloart-25-en-28-oic acid, Me ester 	C31H50O6	518.360739	NA	MeJP	NA	NA
+MJ076624	2,3,11,23-Tetrahydroxy-12-ursen-28-oic acid, 11-Me ether 	C31H50O6	518.360739	NA	MeJP	NA	NA
+MJ076625	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, Me ester 	C31H50O6	518.360739	NA	MeJP	NA	NA
+MJ076626	2,3,7,11-Tetrahydroxy-12-ursen-28-oic acid, 11-Me ether 	C31H50O6	518.360739	NA	MeJP	NA	NA
+MJ076627	3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 3-Ac 	C31H50O6	518.360739	NA	MeJP	NA	NA
+MetaCyc03766	13-&beta;-D-glucosyloxydocosanoate [13-[&beta;-D-glucopyranosyloxy]docosanoate;]	C28H54O8	518.381869	NA	metacyc	NA	NA
+C04103	13-beta-D-Glucosyloxydocosanoate	C28H54O8	518.3819	NA	KEGG	NA	NA
+MJ076628	Buxidienine I; 16-Deoxy, N3,N20,N20-tri-Me, O30-benzoyl 	C34H50N2O2	518.387228	NA	MeJP	NA	NA
+MJ076629	20,24-Epoxydammarane-3,12,25-triol, 12-Ac 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076630	20,24-Epoxydammarane-3,12,25-triol, 3-Ac 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076631	20,24-Epoxydammarane-3,6,25-triol, 3-Ac 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076632	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, 3-Me ether, docosyl ester 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076633	7,24,25,26-Tetrahydroxylanost-8-en-3-one, 7-Et ether 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076634	Dammar-24-ene-3,12,17,20-tetrol, 12-Ac 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076635	Gorgostane-3,5,6,7-tetrol, 7-Ac 	C32H54O5	518.397124	NA	MeJP	NA	NA
+MJ076636	2-Polyprenyl-1,4-benzenediol; 2-Hexaprenyl-1,4-benzenediol 	C36H54O2	518.41238	NA	MeJP	NA	NA
+C05801	2-Hexaprenyl-6-hydroxyphenol	C36H54O2	518.4124	NA	KEGG	NA	NA
+MJ076637	3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-octadecanoyl 	C33H58O4	518.43351	NA	MeJP	NA	NA
+MJ076638	8-Daucene-3,4,14-triol, 14-(9-Octadecenoyl)(Z-) 	C33H58O4	518.43351	NA	MeJP	NA	NA
+MJ076639	Cefminox 	C16H21N7O7S3	519.066458	NA	MeJP	NA	NA
+MJ076640	Suproclone 	C22H22ClN5O4S2	519.080173	NA	MeJP	NA	NA
+MJ076641	1-[2,5-Dideoxy-5-[[2-(2,4-dichloro-5-methoxyphenoxy)-1-oxopropyl]amino]-2-fluoro-?-D-arabinofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione 	C21H24Cl2FN3O7	519.097533	NA	MeJP	NA	NA
+MJ076642	Ceforanide 	C20H21N7O6S2	519.099472	NA	MeJP	NA	NA
+C06884	Ceforanide	C20H21N7O6S2	519.0995	NA	KEGG	NA	NA
+MJ076643	6-Hydroxy-8-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid; O-?-D-Glucopyranoside 	C23H21NO13	519.101289	NA	MeJP	NA	NA
+FL7AAAGL0016	Pelargonidin 3-(6''-malonylglucoside)	C24H23O13	519.11386	165070-68-8	knapsack	NA	NA
+MetaCyc03767	pelargonidin-3-O-(6-O-malonyl-&beta;-D-glucoside) []	C24H23O13	519.113866	NA	metacyc	NA	NA
+C12642	Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)	C24H23O13	519.1139	NA	KEGG	NA	NA
+MJ076644	Antibiotic WS 009B; 6-Deoxy 	C24H25NO10S	519.119916	NA	MeJP	NA	NA
+PJ003584	GTCCH 	C18H29N7O7S2	519.157	NA	PeJP	NA	NA
+PJ003585	GPCDE 	C19H29N5O10S	519.1635	NA	PeJP	NA	NA
+MJ076645	Gravacridonetriol; 2'-O-?-Glucopyranosyl 	C25H29NO11	519.17406	NA	MeJP	NA	NA
+PJ003586	SSSCH 	C18H29N7O9S	519.1748	NA	PeJP	NA	NA
+PJ003587	PCDW 	C23H29N5O7S	519.1788	NA	PeJP	NA	NA
+PJ003588	NEEE 	C19H29N5O12	519.1813	NA	PeJP	NA	NA
+PJ003589	PPTCC 	C20H33N5O7S2	519.1822	NA	PeJP	NA	NA
+MJ076646	Pannellin; Parent acid, dimethylamide 	C29H29NO8	519.189316	NA	MeJP	NA	NA
+MJ076647	Rocaglatic acid; 1-Ac, amide 	C29H29NO8	519.189316	NA	MeJP	NA	NA
+PJ003590	CNHF 	C22H29N7O6S	519.19	NA	PeJP	NA	NA
+PJ003591	DDDR 	C18H29N7O11	519.1925	NA	PeJP	NA	NA
+MJ076648	Adenosine; 6N-Benzyl, 3'-O-?-D-glucopyranosyl 	C23H29N5O9	519.196527	NA	MeJP	NA	NA
+PJ003592	GEEW 	C23H29N5O9	519.1966	NA	PeJP	NA	NA
+PJ003593	GSPEM 	C20H33N5O9S	519.1999	NA	PeJP	NA	NA
+PJ003594	SNNW 	C22H29N7O8	519.2078	NA	PeJP	NA	NA
+MJ076649	Alangiside; 13a-Epimer, Me ether 	C26H33NO10	519.210446	NA	MeJP	NA	NA
+PJ003595	NQQM 	C19H33N7O8S	519.2111	NA	PeJP	NA	NA
+PJ003596	GGQQM 	C19H33N7O8S	519.2112	NA	PeJP	NA	NA
+PJ003597	EWW 	C27H29N5O6	519.2118	NA	PeJP	NA	NA
+MJ076650	Antibiotic SF 2513; Antibiotic SF 2513C 	C25H34N3O7P	519.213436	NA	MeJP	NA	NA
+PJ003598	SPMW 	C24H33N5O6S	519.2152	NA	PeJP	NA	NA
+MJ076651	Antibiotic FK 156 	C20H33N5O11	519.217656	NA	MeJP	NA	NA
+PJ003599	DKEE 	C20H33N5O11	519.2177	NA	PeJP	NA	NA
+PJ003600	GPCLM 	C21H37N5O6S2	519.2185	NA	PeJP	NA	NA
+PJ003601	AAPMM 	C21H37N5O6S2	519.2186	NA	PeJP	NA	NA
+PJ003602	CNQR 	C18H33N9O7S	519.2224	NA	PeJP	NA	NA
+PJ003603	SEER 	C19H33N7O10	519.2289	NA	PeJP	NA	NA
+MJ076652	Peptide P3A 	C20H29N11O6	519.230227	NA	MeJP	NA	NA
+PJ003604	SVEW 	C24H33N5O8	519.2329	NA	PeJP	NA	NA
+PJ003605	LQEM 	C21H37N5O8S	519.2363	NA	PeJP	NA	NA
+MJ076653	Cadabicine; N14,O-Di-Ac 	C29H33N3O6	519.236935	NA	MeJP	NA	NA
+PJ003606	GSSNR 	C18H33N9O9	519.2401	NA	PeJP	NA	NA
+PJ003607	GGGSSR 	C18H33N9O9	519.2402	NA	PeJP	NA	NA
+8296	ACE inhibitor	GVHHA	519.242	NA  ;SYN:(3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alanine; 3',5'-diiodothyronine; 3,5-Diiodo-D-thyronine; 3,5-Diiodo-DL-thyronine; 3,5-Diiodo-L-thyronine; 3,5-Diiodo-dl-thryronine; 3,5-Diiodothyronine; DL-3,5-Diiodothyronine; 3,5-T2; 4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine; D-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; Diiodo-L-thyronine; Diiodothyronine; L-3,5-Diiodothyronine; L-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; DL-DiiodothyronineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ003608	VDMR 	C20H37N7O7S	519.2475	NA	PeJP	NA	NA
+PJ003609	GGGAKM 	C20H37N7O7S	519.2476	NA	PeJP	NA	NA
+MJ076654	Ergobine 	C28H33N5O5	519.248169	NA	MeJP	NA	NA
+PJ003610	APFW 	C28H33N5O5	519.2482	NA	PeJP	NA	NA
+7397	celiac sprue gluten epitope found in secalin	PFPQPQQPT	519.2485	MH2+	Inhouse_peptide	NA	peptide
+PJ003611	ALMW 	C25H37N5O5S	519.2516	NA	PeJP	NA	NA
+PJ003612	GTTLE 	C21H37N5O10	519.2541	NA	PeJP	NA	NA
+PJ003613	VQHH 	C22H33N9O6	519.2554	NA	PeJP	NA	NA
+PJ003614	CNKR 	C19H37N9O6S	519.2588	NA	PeJP	NA	NA
+EUR857	Lyso PE 18:4 [M+FA-H]-	C23H40NO7P	519.259122	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR857	Lyso PE 18:4 [M+FA-H]-	C23H40NO7P	519.259122	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR857	Lyso PE 18:4 [M+FA-H]-	C23H40NO7P	519.259122	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR857	Lyso PE 18:4 [M+FA-H]-	C23H40NO7P	519.259122	masses lipides attendues	Inhousejuil11	NA	NA
+PJ003615	GSTQK 	C20H37N7O9	519.2653	NA	PeJP	NA	NA
+PJ003616	AHHR 	C21H33N11O5	519.2666	NA	PeJP	NA	NA
+PJ003617	TTLW 	C25H37N5O7	519.2693	NA	PeJP	NA	NA
+PJ003618	LKEM 	C22H41N5O7S	519.2727	NA	PeJP	NA	NA
+MJ076655	Roehybridine; N-De-Me 	C30H37N3O5	519.273321	NA	MeJP	NA	NA
+3570	NA	GIQSEPKAIP	519.278	MH2+	Inhouse_peptide	NA	peptide
+PJ003619	PTFR 	C24H37N7O6	519.2806	NA	PeJP	NA	NA
+MJ076656	Delstaphinine; Di-Ac 	C28H41NO8	519.283217	NA	MeJP	NA	NA
+MJ076657	Neoline; O8,O14-Di-Ac, 1-ketone 	C28H41NO8	519.283217	NA	MeJP	NA	NA
+PJ003620	TLMR 	C21H41N7O6S	519.2839	NA	PeJP	NA	NA
+PJ003621	SSTLL 	C22H41N5O9	519.2904	NA	PeJP	NA	NA
+PJ003622	VKHH 	C23H37N9O5	519.2918	NA	PeJP	NA	NA
+2809	PEP inhibitor	PPPLP	519.292	NA	Inhouse_peptide	NA	peptide
+MJ076658	Vignatic acid B 	C27H41N3O7	519.29445	NA	MeJP	NA	NA
+MJ076659	Terpendole C 	C32H41NO5	519.298473	NA	MeJP	NA	NA
+PJ003623	GSTKK 	C21H41N7O8	519.3017	NA	PeJP	NA	NA
+MJ076660	Antibiotic PA 133B 	C25H45NO10	519.304346	NA	MeJP	NA	NA
+PJ003624	PLKY 	C26H41N5O6	519.3057	NA	PeJP	NA	NA
+MJ076661	Pentolium(2+) 	C15H32N22(+)	519.310204	NA	MeJP	NA	NA
+PJ003625	VVFR 	C25H41N7O5	519.3169	NA	PeJP	NA	NA
+CJpos0813	1-Linoleoylglycerophosphocholine GPCho(18:2)  [(M+H)]+	C26H51NO7P	519.331975	C18rt(min)=11.17 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0813	1-Linoleoylglycerophosphocholine GPCho(18:2)  [(M+H)]+	C26H51NO7P	519.331975	C18rt(min)=11.17 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR573	LysoPC(18:2)	[M+H]+	519.332175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR573	LysoPC(18:2)	[M+H]+	519.332175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR573	LysoPC(18:2)	[M+H]+	519.332175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR573	LysoPC(18:2)	NA	519.332175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR573	LysoPC(18:2)	[M+H]+	519.332175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR573	LysoPC(18:2)	NA	519.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR659	Lyso PC 18:2 monoisotopic mass 	C26H50NO7P	519.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR901	Lyso PE 22:2 [M-H-CH3]-	C27H52NO7P	519.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR659	Lyso PC 18:2 monoisotopic mass 	C26H50NO7P	519.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR901	Lyso PE 22:2 [M-H-CH3]-	C27H52NO7P	519.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR659	Lyso PC 18:2 monoisotopic mass 	C26H50NO7P	519.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR901	Lyso PE 22:2 [M-H-CH3]-	C27H52NO7P	519.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR659	Lyso PC 18:2 monoisotopic mass 	C26H50NO7P	519.332492	masses lipides attendues	Inhousejuil11	NA	NA
+EUR901	Lyso PE 22:2 [M-H-CH3]-	C27H52NO7P	519.332492	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10386	LysoPC(18:2(9Z,12Z))	C26H50NO7P	519.33252	NA	HMDB2010	NA	NA
+MJ076662	Antibiotic 2158 	C33H45NO4	519.334858	NA	MeJP	NA	NA
+MJ076663	Fenestin B 	C27H45N5O5	519.342069	NA	MeJP	NA	NA
+PJ003626	LLKF 	C27H45N5O5	519.3421	NA	PeJP	NA	NA
+2610	synthetic peptide inhibitors of (PEP)	IYPFPGPIH	519.76705	MH2+	Inhouse_peptide	NA	peptide
+MJ076664	Chartelline A; 17,18-Didebromo 	C20H15Br2ClN4O	519.930114	NA	MeJP	NA	NA
+C10392	Pseudohypericin	C30H16O9	520.0794	NA	KEGG	NA	NA
+MJ076665	Pseudohypericin 	C30H16O9	520.079432	NA	MeJP	NA	NA
+MJ076666	Pinnaterpene C 	C22H34Br2O4	520.082384	NA	MeJP	NA	NA
+FL5FECGS0038	5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide	C23H20O14	520.0853	-	knapsack	NA	NA
+MJ076667	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3-Me ether, 4'-O-?-D-glucuronopyranoside 	C23H20O14	520.085305	NA	MeJP	NA	NA
+MJ076668	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Oxalyl-?-D-glucopyranoside) 	C23H21O14(+)	520.085305	NA	MeJP	NA	NA
+MJ076669	Melitric acid B 	C27H20O11	520.100561	NA	MeJP	NA	NA
+C07231	Moxalactam	C20H20N6O9S	520.1012	NA	KEGG	NA	NA
+C07232	Transferred to D00421	C20H20N6O9S	520.1012	NA	KEGG	NA	NA
+C07233	Transferred to D00422	C20H20N6O9S	520.1012	NA	KEGG	NA	NA
+C07234	Transferred to D00423	C20H20N6O9S	520.1012	NA	KEGG	NA	NA
+MJ076670	Latamoxef 	C20H20N6O9S	520.101246	NA	MeJP	NA	NA
+MJ076671	Dendroamide B 	C21H24N6O4S3	520.102115	NA	MeJP	NA	NA
+MJ076672	Oganomycin GB 	C23H24N2O10S	520.115165	NA	MeJP	NA	NA
+MJ076673	2',5,6',7,8-Pentahydroxyflavone; 2',7,8-Tri-Me ether, 6'-O-?-D-glucuronoside 	C24H24O13	520.12169	NA	MeJP	NA	NA
+MJ076674	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 8-Ac, 3-O-?-L-rhamnopyranoside 	C24H24O13	520.12169	NA	MeJP	NA	NA
+MJ076675	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-(6-O-Acetyl-?-D-galactopyranoside) 	C24H24O13	520.12169	NA	MeJP	NA	NA
+MJ076676	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O13	520.12169	NA	MeJP	NA	NA
+MJ076677	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-Ac 	C24H24O13	520.12169	NA	MeJP	NA	NA
+MJ076678	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-Ac 	C24H24O13	520.12169	NA	MeJP	NA	NA
+FL3FACGS0059	Luteolin 7-(2''-glucosyllactate)	C24H24O13	520.12169	126394-93-2	knapsack	NA	NA
+FL3FF8GS0008	5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide;2-(5-Hydroxy-7,8-dimethoxy-4-oxo-4H-1-benzopyran-2-yl)-3-methoxyphenyl beta-D-glucopyranosiduronic acid	C24H24O13	520.12169	133640-37-6	knapsack	NA	NA
+FL5FADGA0020	Isorhamnetin 3-(6''-acetylgalactoside)	C24H24O13	520.12169	67214-09-9	knapsack	NA	NA
+FL5FADGL0033	Isorhamnetin 3-(2''-acetylglucoside)	C24H24O13	520.12169	119628-57-8	knapsack	NA	NA
+FL5FADGL0034	Isorhamnetin 3-(6''-acetylglucoside)	C24H24O13	520.12169	64317-85-7	knapsack	NA	NA
+FL5FAJGS0003	Mearnsetin 3-O-(4''-O-acetyl)-alpha-L-rhamnopyranoside;3-[(4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C24H24O13	520.12169	402954-88-5	knapsack	NA	NA
+FL5FEAGL0010	6-Methoxykaempferol 3-(6''-acetylglucoside)	C24H24O13	520.12169	118201-25-5	knapsack	NA	NA
+FL5FFCGS0019	Purifolin	C24H24O13	520.12169	62082-22-8	knapsack	NA	NA
+MetaCyc03768	glycosaminoglycan []	C17H30N1O15S1	520.133615	NA	metacyc	NA	NA
+C07817	Mometasone furoate	C27H30Cl2O6	520.1419	NA	KEGG	NA	NA
+MJ076679	Mometasone; 17-(2-Furanylcarbonyl)oxy 	C27H30Cl2O6	520.141944	NA	MeJP	NA	NA
+MJ076680	4'-O-Demethyl-4?-(4''-nitroanilino)-4-desoxypodophyllotoxin 	C27H24N2O9	520.14818	NA	MeJP	NA	NA
+MJ076681	Albofungin 	C27H24N2O9	520.14818	NA	MeJP	NA	NA
+MJ076682	Antibiotic SF 2415A3 	C26H30Cl2N2O5	520.153177	NA	MeJP	NA	NA
+FL1DAAGS0006	Zosterin;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside	C25H28O12	520.15807	145039-89-0	knapsack	NA	NA
+FL3FCKGS0002	Lethedoside B;Tricetin 7,3',4',5'-trimethyl eter 5-glucoside;5-(beta-D-glucopyranosyloxy)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C25H28O12	520.15807	221289-29-8	knapsack	NA	NA
+FL3FEGGS0006	6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside	C25H28O12	520.15807	-	knapsack	NA	NA
+FL3FF8GS0005	5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside	C25H28O12	520.15807	113963-40-9	knapsack	NA	NA
+FL5FDFGS0001	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside;2-(3,4-Dimethoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dimethoxy-4H-1-benzopyran-4-one	C25H28O12	520.15807	196942-96-8	knapsack	NA	NA
+MJ076683	1,2,3,7,8-Pentahydroxy-6-methylanthraquinone; 1,2,3,8-Tetra-Me ether, 7-O-?-D-glucopyranoside 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076684	2',3',5,7,8-Pentahydroxyflavone; 2',3',7,8-Tetra-Me ether, 5-O-?-D-glucopyranoside 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076685	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 9,13,14-tri-Ac 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076686	2-O-?-D-Apiofuranosyl-D-glucose; ?-Pyranose-form, 1,5'-Dibenzoyl 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076687	3',4',5,5',7-Pentahydroxyflavone; 3',4',5',7-Tetra-Me ether, 5-O-?-D-glucopyranoside 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076688	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 4',6'-Di-Ac, 2'-O-?-D-glucopyranoside 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076689	7-Hydroxyugandoside, 7-(4-Hydroxycinnamoyl) 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076690	Asperuloside; 2'-O-[3-(4-Hydroxyphenyl)propanoyl], 10-de-Ac 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076691	Sweroside; 2'-O-(3-Hydroxybenzoyl), 3'-Ac 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076692	Sweroside; 3'-O-(3,4-Dihydroxy-E-cinnamoyl) 	C25H28O12	520.158076	NA	MeJP	NA	NA
+MJ076693	Swertiamarin; 4'-(4-Hydroxycinnamoyl)(E-) 	C25H28O12	520.158076	NA	MeJP	NA	NA
+C10313	Chryso-obtusin glucoside	C25H28O12	520.1581	NA	KEGG	NA	NA
+PJ003627	CMMH 	C19H32N6O5S3	520.1597	NA	PeJP	NA	NA
+MJ076694	Vaneprim 	C23H28N4O8S	520.162784	NA	MeJP	NA	NA
+PJ003628	DEEE 	C19H28N4O13	520.1653	NA	PeJP	NA	NA
+PJ003629	GCNNN 	C17H28N8O9S	520.17	NA	PeJP	NA	NA
+MJ076695	1-(1,3-Benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-2,3-dihydro-5-propoxy-1H-indene-2-carboxylic acid 	C29H28O9	520.173332	NA	MeJP	NA	NA
+MJ076696	Rocaglatic acid; 1-O-Formyl, Me ester 	C29H28O9	520.173332	NA	MeJP	NA	NA
+MJ076697	Schizantherin D 	C29H28O9	520.173332	NA	MeJP	NA	NA
+MJ076698	Schizantherin P; 7-Epimer, 7-benzoyl 	C29H28O9	520.173332	NA	MeJP	NA	NA
+PJ003630	CDHF 	C22H28N6O7S	520.174	NA	PeJP	NA	NA
+MJ076699	Picrasidine M; 4-Methoxy 	C30H24N4O5	520.174669	NA	MeJP	NA	NA
+PJ003631	GSNDE 	C18H28N6O12	520.1765	NA	PeJP	NA	NA
+PJ003632	GGGSDE 	C18H28N6O12	520.1766	NA	PeJP	NA	NA
+PJ003633	GPCNM 	C19H32N6O7S2	520.1774	NA	PeJP	NA	NA
+MJ076700	2-O-?-L-Rhamnopyranosyl-L-arabinose; ?-Pyranose-form, Me glycoside, penta-Ac 	C22H32O14	520.179205	NA	MeJP	NA	NA
+MJ076701	3-(3,4-Dihydroxyphenyl)propanoic acid; 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], Me ester 	C22H32O14	520.179205	NA	MeJP	NA	NA
+MJ076702	Asystasioside B 	C22H32O14	520.179205	NA	MeJP	NA	NA
+MJ076703	Gonocaryoside B; Me ester 	C22H32O14	520.179205	NA	MeJP	NA	NA
+MJ076704	Sucrose; 6-O-[3-(4-Hydroxy-3-methoxyphenyl)propanoyl] 	C22H32O14	520.179205	NA	MeJP	NA	NA
+PJ003634	SNDW 	C22H28N6O9	520.1918	NA	PeJP	NA	NA
+MJ076705	4-[[1-(2-Carboxyethyl)-4-[4-(4-phenoxybutoxy)phenyl]-2-butenyl]thio]benzoic acid 	C30H32O6S	520.191959	NA	MeJP	NA	NA
+MJ076706	1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076707	1,3,5,8-Tetrahydroxyxanthone; 3,5,8-Tri-Me ether, 1-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076708	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, O-?-D-Glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076709	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 4-O-?-D-Glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076710	2,3-Epoxy-8,9,11,16-tetrahydroxy-12-oxo-5,13-briaradien-18,7-olide; 9,11,16-Tri-Ac 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076711	3,3',4,4',9,9'-Hexahydroxylignan, 3,4;3',4'-Bis(methylene) ether, 9-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076712	3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether, 9-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076713	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076714	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076715	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076716	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076717	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076718	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076719	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076720	Baenzigeride A; O-?-D-Glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076721	Bruceolide; 15-(3-Methyl-2-butenoyl) 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076722	Bruceosin 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076723	Camaldulenside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076724	Cypellocarpin B; 2-Deoxy, 2,3-didehydro 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076725	Dehydrobruceolide; 15-(3-Methylbutanoyl) 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076726	Icariside E5; 9'-Aldehyde 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076727	Matairesinol, 4'-O-?-D-Glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076728	Pinoresinol, 4-O-?-D-Glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076729	Pinoresinol, 7'-Epimer, 4-O-?-D-glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076730	Pinoresinol, O-?-D-Glucopyranoside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076731	Rubratoxin A 	C26H32O11	520.194461	NA	MeJP	NA	NA
+MJ076732	Trachelosiaside 	C26H32O11	520.194461	NA	MeJP	NA	NA
+C08754	Brusatol	C26H32O11	520.1945	NA	KEGG	NA	NA
+C17529	(-)-Pinoresinol glucoside	C26H32O11	520.1945	NA	KEGG	NA	NA
+PJ003635	NQEM 	C19H32N6O9S	520.1952	NA	PeJP	NA	NA
+PJ003636	CNER 	C18H32N8O8S	520.2064	NA	PeJP	NA	NA
+MJ076733	4,4'-Dihydroxy-3,3'-dimethoxy-9,9'-epoxylignan; 4-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C30H32O8	520.209718	NA	MeJP	NA	NA
+MJ076734	7-Methoxy-8-[[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)-1,1-dimethylethyl]-5,5-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-1-benzopyran-2-one 	C30H32O8	520.209718	NA	MeJP	NA	NA
+MJ076735	Gomisin O; Benzoyl 	C30H32O8	520.209718	NA	MeJP	NA	NA
+MJ076736	Isogomisin O; Benzoyl 	C30H32O8	520.209718	NA	MeJP	NA	NA
+PJ003637	GQMW 	C23H32N6O6S	520.2104	NA	PeJP	NA	NA
+MJ076737	1,4-Bis[(diphenylamino)carbonyl]-2-piperazinecarboxylic acid 	C31H28N4O4	520.211055	NA	MeJP	NA	NA
+MJ076738	Elinafide 	C31H28N4O4	520.211055	NA	MeJP	NA	NA
+PJ003638	GSTQE 	C19H32N6O11	520.2129	NA	PeJP	NA	NA
+PJ003639	APCCK 	C20H36N6O6S2	520.2138	NA	PeJP	NA	NA
+PJ003640	NNHH 	C20H28N10O7	520.2143	NA	PeJP	NA	NA
+MJ076739	Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 10-Ac 	C23H36O13	520.215591	NA	MeJP	NA	NA
+MJ076740	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 10-Ac 	C23H36O13	520.215591	NA	MeJP	NA	NA
+MJ076741	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 7-Ac 	C23H36O13	520.215591	NA	MeJP	NA	NA
+PJ003641	PEEF 	C24H32N4O9	520.217	NA	PeJP	NA	NA
+PJ003642	LEEM 	C21H36N4O9S	520.2203	NA	PeJP	NA	NA
+MJ076742	Alisamycin 	C29H32N2O7	520.220951	NA	MeJP	NA	NA
+MJ076743	Antibiotic EI 1511-5 	C29H32N2O7	520.220951	NA	MeJP	NA	NA
+MJ076744	Antibiotic U 56407 	C29H32N2O7	520.220951	NA	MeJP	NA	NA
+MJ076745	Poetamine 	C29H32N2O7	520.220951	NA	MeJP	NA	NA
+PJ003643	GCRW 	C22H32N8O5S	520.2217	NA	PeJP	NA	NA
+MJ076746	9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 17,21-Dipropanoyl 	C28H37ClO7	520.222781	NA	MeJP	NA	NA
+MJ076747	Alclometasone; 17,21-Dipropanoyl 	C28H37ClO7	520.222781	NA	MeJP	NA	NA
+MJ076748	Jaborochlorodiol; 4,5-Dihydro, 5?-hydroxy 	C28H37ClO7	520.222781	NA	MeJP	NA	NA
+MJ076749	Jaborosalactone P; 5?-Chloro, 6?-hydroxy, 5,6-dihydro 	C28H37ClO7	520.222781	NA	MeJP	NA	NA
+MJ076750	Physalolactone C 	C28H37ClO7	520.222781	NA	MeJP	NA	NA
+C07813	Beclomethasone dipropionate	C28H37ClO7	520.2228	NA	KEGG	NA	NA
+PJ003644	GSSDR 	C18H32N8O10	520.2242	NA	PeJP	NA	NA
+MJ076751	Ciprocinonide 	C28H34F2O7	520.227259	NA	MeJP	NA	NA
+PJ003645	STQW 	C23H32N6O8	520.2282	NA	PeJP	NA	NA
+MJ076752	14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 1-propanoyl, 14,15-di-Ac 	C27H36O10	520.230847	NA	MeJP	NA	NA
+MJ076753	3',4,4'5,9'-Pentahydroxy-2,7'-cyclolignan, 3',4,5-Tri-Me ether, 9'-O-?-D-glucopyranoside 	C27H36O10	520.230847	NA	MeJP	NA	NA
+MJ076754	Calamin 	C27H36O10	520.230847	NA	MeJP	NA	NA
+MJ076755	Myricanol; 5-O-?-D-Glucopyranoside 	C27H36O10	520.230847	NA	MeJP	NA	NA
+PJ003646	NKEM 	C20H36N6O8S	520.2316	NA	PeJP	NA	NA
+MJ076756	Cyclo(prolyltyrosylprolyltyrosyl) 	C28H32N4O6	520.232184	NA	MeJP	NA	NA
+MJ076757	Asterriquinone; Mono-Me ether 	C33H32N2O4	520.236207	NA	MeJP	NA	NA
+PJ003647	VEHH 	C22H32N8O7	520.2394	NA	PeJP	NA	NA
+8140	synthetic peptide	YPEL	520.241	stimulating	Inhouse_peptide	NA	peptide
+MJ076758	[5-[Octahydro-7a-methyl-1-[1-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentynyl]cyclopropyl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol 	C27H34F6O3	520.241214	NA	MeJP	NA	NA
+MJ076759	Antimycin A7; Antimycin A7a 	C26H36N2O9	520.24208	NA	MeJP	NA	NA
+MJ076760	Antimycin A7; Antimycin A7b 	C26H36N2O9	520.24208	NA	MeJP	NA	NA
+MJ076761	Antimycin A; Antimycin A3 	C26H36N2O9	520.24208	NA	MeJP	NA	NA
+PJ003648	SQMR 	C19H36N8O7S	520.2428	NA	PeJP	NA	NA
+PJ003649	AHFF 	C27H32N6O5	520.2434	NA	PeJP	NA	NA
+MJ076762	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-benzoyl 	C31H36O7	520.246103	NA	MeJP	NA	NA
+MJ076763	1,6,9-Trihydroxydihydro-?-agarofuran, 6,9-Dibenzoyl, 1-Ac 	C31H36O7	520.246103	NA	MeJP	NA	NA
+PJ003650	GKMW 	C24H36N6O5S	520.2468	NA	PeJP	NA	NA
+MJ076764	6,7-Dihydro-1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]carbonyl]spiro[2H-furo[2,3-f]indole-3(5H),4-piperidine] 	C32H32N4O3	520.24744	NA	MeJP	NA	NA
+MJ076765	Okaramine A 	C32H32N4O3	520.24744	NA	MeJP	NA	NA
+MJ076766	Okaramine H 	C32H32N4O3	520.24744	NA	MeJP	NA	NA
+PJ003651	GSTKE 	C20H36N6O10	520.2493	NA	PeJP	NA	NA
+7388	celiac sprue gluten epitope found in hordein	QQPQLPHGH	520.2495	MH2+	Inhouse_peptide	NA	peptide
+MJ076767	5,6-Epoxy-7-megastigmene-3,9-diol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O12	520.251976	NA	MeJP	NA	NA
+MJ076768	6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro, 9-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O12	520.251976	NA	MeJP	NA	NA
+MJ076769	6,9-Dihydroxy-7-megastigmen-3-one, 9-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H40O12	520.251976	NA	MeJP	NA	NA
+PJ003652	PLEY 	C25H36N4O8	520.2533	NA	PeJP	NA	NA
+PJ003653	SCRR 	C18H36N10O6S	520.254	NA	PeJP	NA	NA
+MJ076770	Ajmaline; 17-O-(3,4,5-Trimethoxybenzoyl) 	C30H36N2O6	520.257336	NA	MeJP	NA	NA
+PJ003654	GSTTR 	C19H36N8O9	520.2605	NA	PeJP	NA	NA
+PJ003655	STKW 	C24H36N6O7	520.2646	NA	PeJP	NA	NA
+MJ076771	1,3(20),10,13,15-Phytapentaene-1,16,17,19,20-pentol, 1,16,17,20-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076772	16-Kaurene-1,3,7,11,15-pentol, 1,3,7,15-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076773	2,3,5,12,14,20-Hexahydroxy-6,22-dioxoergost-7-en-26,28-olide, 5-Deoxy 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076774	2,5,9,10-Tetrahydroxy-4(20)-taxen-13-one, Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076775	2,9,12,14-Tetrahydroxy-5,8(17)-briaradien-18,7-olide; 2-Butanoyl, 9,14-di-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076776	3,14-Dihydroxypregn-5-ene-11,15,20-trione, 3-O-?-D-Digitaloside 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076777	4(20),11-Taxadiene-1,5,7,9,10-pentol, 1,7,9,10-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076778	4(20),11-Taxadiene-2,5,7,10,14-pentol, 2,5,10,14-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076779	4(20),11-Taxadiene-2,5,9,10,13-pentol, 2,9,10,13-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076780	4(20),11-Taxadiene-5,7,9,10,13-pentol, 7,9,10,13-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076781	4(20),11-Taxadiene-5,9,10,13,14-pentol, 5,9,10,13-Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076782	5,6,14,15,17,20-Hexahydroxy-1-oxowitha-2,24-dienone 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076783	6,13-Epoxy-3,8(19)-eunicelladiene-2,9,12,15-tetrol, Tetra-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076784	Chlorodesmin; 10,11-Dihydro 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076785	Glaucogenin A; 3-O-?-D-Oleandropyranoside 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076786	Glaucogenin C; 3-O-?-D-Thevetoside 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076787	Ingol; 2,3-Diepimer, 8-(2-methylpropanoyl), 7,12-di-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076788	O-Demethylstriatin C; O15-Me, 30-Ac 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076789	Sacoglossan 	C28H40O9	520.267232	NA	MeJP	NA	NA
+MJ076790	Withaperuvin 	C28H40O9	520.267232	NA	MeJP	NA	NA
+PJ003656	DKKM 	C21H40N6O7S	520.2679	NA	PeJP	NA	NA
+MJ076791	Nummularine S 	C29H36N4O5	520.26857	NA	MeJP	NA	NA
+MJ076792	Paliurine E; N,O-Di-de-Me 	C29H36N4O5	520.26857	NA	MeJP	NA	NA
+MJ076793	Tscheschamine 	C29H36N4O5	520.26857	NA	MeJP	NA	NA
+PJ003657	AQFR 	C23H36N8O6	520.2758	NA	PeJP	NA	NA
+PJ003658	SKMR 	C20H40N8O6S	520.2792	NA	PeJP	NA	NA
+MJ076794	3-Libocedroxythymoquinone 	C32H40O6	520.282489	NA	MeJP	NA	NA
+MJ076795	Epolone A 	C32H40O6	520.282489	NA	MeJP	NA	NA
+PJ003659	SSSLK 	C21H40N6O9	520.2857	NA	PeJP	NA	NA
+3360	NA	VKAGF	520.288	celiac toxic	Inhouse_peptide	NA	peptide
+8131	peptide derived from dried bonito	FVAGK	520.288	anticancer	Inhouse_peptide	NA	peptide
+PJ003660	LLEF 	C26H40N4O7	520.2897	NA	PeJP	NA	NA
+MJ076796	Talassicumine C 	C31H40N2O5	520.293722	NA	MeJP	NA	NA
+PJ003661	VQKF 	C25H40N6O6	520.301	NA	PeJP	NA	NA
+C08816	Cyasterone	C29H44O8	520.3036	NA	KEGG	NA	NA
+C11300	Soraphen A	C29H44O8	520.3036	NA	KEGG	NA	NA
+MJ076797	18,19-Epoxy-12,14-clerodadiene-2,6,18,19-tetrol, 2-(2-Methylbutanoyl), 18,19-di-Ac 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076798	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076799	3,12,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076800	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076801	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076802	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-D-allopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076803	3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Fucopyranoside 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076804	3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-?-D-glucopyranosyl] 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076805	3,14-Dihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076806	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076807	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076808	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 2,5-di-Ac 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076809	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(3R-Hydroxy-2S-methylbutanoyl), 2,5-di-Ac 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076810	8(17),14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 3,20-di-Ac 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076811	8,14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 3,20-di-Ac 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076812	Baconipyrone A 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076813	Baconipyrone C 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076814	Caloudrin B 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076815	Cyasterone 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076816	Precyasterone 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076817	Siphonarin B 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076818	Soraphen A 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076819	Vulgaroside; 24,25-Di-Ac 	C29H44O8	520.303618	NA	MeJP	NA	NA
+MJ076820	Adouetine Y'; N-De-Me 	C30H40N4O4	520.304955	NA	MeJP	NA	NA
+MJ076821	Integerrenine; N-De-Me 	C30H40N4O4	520.304955	NA	MeJP	NA	NA
+MJ076822	Sanjoinine B 	C30H40N4O4	520.304955	NA	MeJP	NA	NA
+MJ076823	Sativanine A 	C30H40N4O4	520.304955	NA	MeJP	NA	NA
+PJ003662	AKFR 	C24H40N8O5	520.3122	NA	PeJP	NA	NA
+7561	ACE inhibitor from soy hydrolysate	IYLL	520.315	antioxidative	Inhouse_peptide	NA	peptide
+MJ076824	Quaesitol 	C33H44O5	520.318874	NA	MeJP	NA	NA
+MJ076825	Cycloart-24-ene-3,23-diol, 23-Ketone, 3-O-sulfate 	C30H48O5S	520.322245	NA	MeJP	NA	NA
+PJ003663	LLLY 	C27H44N4O6	520.3261	NA	PeJP	NA	NA
+MJ076826	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(14-Methylhexadecanoyl) 	C32H44N2O4	520.330107	NA	MeJP	NA	NA
+CJpos0814	1-Linoleoylglycerophosphocholine GPCho(18:2)  [(M+H)]+ (13C)	C2513CH51NO7P	520.335275	C18rt(min)=11.17 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0814	1-Linoleoylglycerophosphocholine GPCho(18:2)  [(M+H)]+ (13C)	C2513CH51NO7P	520.335275	C18rt(min)=11.17 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ003664	VKKF 	C26H44N6O5	520.3373	NA	PeJP	NA	NA
+MJ076827	Antibiotic WA 3854; Antibiotic WA 3854D 	C26H44N6O5	520.337318	NA	MeJP	NA	NA
+C08804	Cucurbitacin P	C30H48O7	520.34	NA	KEGG	NA	NA
+MJ076828	1,2,3,19,23-Pentahydroxy-12-ursen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076829	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2,3-O-Isopropylidene 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076830	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 20,22-O-Isopropylidene 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076831	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 23,24-Dihydro 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076832	2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076833	2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076834	2,3,19,23,24-Pentahydroxy-12-oleanen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076835	2,3,19,23,24-Pentahydroxy-12-ursen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076836	2,3,6,16,23-Pentahydroxy-12-oleanen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076837	2,3,6,19,23-Pentahydroxy-12-oleanen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076838	2,3,6,19,23-Pentahydroxy-12-ursen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076839	2,3,7,19,23-Pentahydroxy-12-ursen-28-oic acid 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076840	2,9:3,16-Diepoxy-7(19)-asbestinene-4,6,11-triol, 4-Octanoyl, 11-Ac 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076841	2,9:3,16-Diepoxy-7-asbestinene-4,6,11-triol, 4-Octanoyl, 11-Ac 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076842	7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one, 1,2-Dihydro, 1?-acetoxy 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076843	8(17),14-Labdadiene-2,3,7,13,20-pentol, 2-Angeloyl, 20-(2-methylbutanoyl) 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076844	Ajugasterone C; 20,22-Acetonide 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076845	Hippuristanol; 22-Epimer, 2?-Hydroxy, 3-Ac 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076846	Hippuristanol; 2?-Acetoxy 	C30H48O7	520.340003	NA	MeJP	NA	NA
+MJ076847	Pregn-20-ene-3,4-diol, 4-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-galactopyranoside) 	C30H48O7	520.340003	NA	MeJP	NA	NA
+C04100	1-Linoleoylglycerophosphocholine	C26H51NO7P	520.3403	NA	KEGG	NA	NA
+MJ076848	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-(4-Hexyloxyphenyl)propanoyl 	C34H48O4	520.35526	NA	MeJP	NA	NA
+MJ076849	Buxanoldine 	C33H48N2O3	520.366493	NA	MeJP	NA	NA
+MJ076850	Buxarine F 	C33H48N2O3	520.366493	NA	MeJP	NA	NA
+MJ076851	Buxidienine I; N20,N20-Di-Me, N3-benzoyl 	C33H48N2O3	520.366493	NA	MeJP	NA	NA
+MJ076852	Cyclomicrophylline I; N20,N20-Di-Me, N3-benzoyl 	C33H48N2O3	520.366493	NA	MeJP	NA	NA
+MJ076853	Cycloxobuxoline I; N3-Benzoyl, N20,N20-di-Me 	C33H48N2O3	520.366493	NA	MeJP	NA	NA
+MJ076854	1,3,24-Trihydroxy-24-(hydroxymethyl)cycloartan-28-oic acid 	C31H52O6	520.376389	NA	MeJP	NA	NA
+MJ076855	3,19-Epoxydammar-20(22)-ene-3,11,23,24,25-pentol; 25-Me ether 	C31H52O6	520.376389	NA	MeJP	NA	NA
+MJ076856	Cholestane-3,6,22,25-tetrol, 3,6-Di-Ac 	C31H52O6	520.376389	NA	MeJP	NA	NA
+MJ076857	Toosendanpentol; 21-Me ether 	C31H52O6	520.376389	NA	MeJP	NA	NA
+MJ076858	1,9,16-Heptadecatriene-4,6-diyn-3-ol, 9,10-Epoxide, 9,12-octadecadienoyl(Z,Z-) 	C35H52O3	520.391645	NA	MeJP	NA	NA
+MJ076859	20,31-Pentatriacontadiene-2,4,22,34-tetrayne-1,6,33-triol 	C35H52O3	520.391645	NA	MeJP	NA	NA
+MJ076860	Plagiospirolide C 	C35H52O3	520.391645	NA	MeJP	NA	NA
+MJ076861	Anipamil 	C34H52N2O2	520.402878	NA	MeJP	NA	NA
+MJ076862	Cycloprotobuxoline I; N3-Benzoyl, N3,N20,N20-tri-Me 	C34H52N2O2	520.402878	NA	MeJP	NA	NA
+MJ076863	Sapelenin D 	C32H56O5	520.412774	NA	MeJP	NA	NA
+MJ076864	Stigmast-5-en-3-ol, 4-Hydroxybenzyl ether 	C36H56O2	520.428031	NA	MeJP	NA	NA
+MJ076865	Cyclostellettamine; Cyclostellettamine C 	C36H60N2	520.475649	NA	MeJP	NA	NA
+MJ076866	Cyclostellettamine; Cyclostellettamine D 	C36H60N2	520.475649	NA	MeJP	NA	NA
+MJ076867	3-Methyl-3-buten-1-ol; Triacontanoyl 	C35H68O2	520.521931	NA	MeJP	NA	NA
+MJ076868	5-Hexatriacontanone 	C36H72O	520.558316	NA	MeJP	NA	NA
+MJ076869	5-Methylhexatriacontane 	C37H76	520.594702	NA	MeJP	NA	NA
+MJ076870	Heptatriacontane 	C37H76	520.594702	NA	MeJP	NA	NA
+MJ076871	13,23-Dimethylpentatriacontane 	C37H76	520.594702	NA	MeJP	NA	NA
+7855	NA	YGGFMRRVG	520.7522	MH2+	Inhouse_peptide	NA	peptide
+MJ076872	Alternatamide B 	C17H22Br3N3O	520.9313	NA	MeJP	NA	NA
+MJ076873	Heneicosafluorotripropylamine 	C9F21N	520.969541	NA	MeJP	NA	NA
+C06500	5'-Guanosyl-methylene-triphosphate	C11H18N5O13P3	521.0114	NA	KEGG	NA	NA
+MetaCyc03769	4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol [CDP-ME;CDP-methyl-D-erythritol;4-diphosphocytidyl-2C-methyl-D-erythritol;4-diphosphocytidyl-2-C-methylerythritol;]	C14H25N3O14P2	521.081176	NA	metacyc	NA	NA
+C11435	4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol	C14H25N3O14P2	521.0812	NA	KEGG	NA	NA
+FL7AACGL0024	Ophrysanin	C23H21O14	521.09313	104937-44-2	knapsack	NA	NA
+MJ076874	Dynemicin A; 12-Deoxy 	C30H19NO8	521.111066	NA	MeJP	NA	NA
+MJ076875	Dynemicin A; Aldehyde 	C30H19NO8	521.111066	NA	MeJP	NA	NA
+MJ076876	Endynamicin A; 4-Deoxy 	C30H19NO8	521.111066	NA	MeJP	NA	NA
+PJ003665	GCCCH 	C17H27N7O6S3	521.1185	NA	PeJP	NA	NA
+MJ076877	Polyoxin D 	C17H23N5O14	521.12415	NA	MeJP	NA	NA
+FL7AAHGL0009	Petunidin 3-(6''-acetylglucoside)	C24H25O13	521.12951	122731-05-9<BR>129016-21-3	knapsack	NA	NA
+MJ076878	Apalcillin 	C25H23N5O6S	521.136904	NA	MeJP	NA	NA
+MJ076879	10-(Methylthio)decyl glucosinolate; S-Oxide 	C18H35NO10S3	521.142308	NA	MeJP	NA	NA
+PJ003666	PPCCC 	C19H31N5O6S3	521.1437	NA	PeJP	NA	NA
+PJ003667	GCNND 	C17H27N7O10S	521.154	NA	PeJP	NA	NA
+PJ003668	GGGGGCD 	C17H27N7O10S	521.1541	NA	PeJP	NA	NA
+MJ076880	Niceverine 	C30H23N3O6	521.158685	NA	MeJP	NA	NA
+PJ003669	GSDDE 	C18H27N5O13	521.1606	NA	PeJP	NA	NA
+PJ003670	GPCDM 	C19H31N5O8S2	521.1614	NA	PeJP	NA	NA
+MJ076881	Pyridoxine; O1''-Me, O2''-[?-D-glucuronopyranosyl-(1?2)-?-D-glucopyranoside] 	C21H31NO14	521.174454	NA	MeJP	NA	NA
+PJ003671	SDDW 	C22H27N5O10	521.1758	NA	PeJP	NA	NA
+PJ003672	NEEM 	C19H31N5O10S	521.1792	NA	PeJP	NA	NA
+MJ076882	Asaphan 	C26H33Cl2N3O4	521.184811	NA	MeJP	NA	NA
+PJ003673	CDER 	C18H31N7O9S	521.1904	NA	PeJP	NA	NA
+PJ003674	GEMW 	C23H31N5O7S	521.1944	NA	PeJP	NA	NA
+MJ076883	Nalorphine; Dinicotinoyl 	C31H27N3O5	521.19507	NA	MeJP	NA	NA
+PJ003675	GSTEE 	C19H31N5O12	521.1969	NA	PeJP	NA	NA
+PJ003676	GSPMM 	C20H35N5O7S2	521.1978	NA	PeJP	NA	NA
+PJ003677	NDHH 	C20H27N9O8	521.1983	NA	PeJP	NA	NA
+MJ076884	Ravidomycin; O-De-Ac 	C29H31NO8	521.204966	NA	MeJP	NA	NA
+MJ076885	Rocaglatic acid; 3'-Hydroxy, dimethylamide 	C29H31NO8	521.204966	NA	MeJP	NA	NA
+PJ003678	SSSNQ 	C18H31N7O11	521.2082	NA	PeJP	NA	NA
+PJ003679	MWW 	C27H31N5O4S	521.2097	NA	PeJP	NA	NA
+PJ003680	STEW 	C23H31N5O9	521.2122	NA	PeJP	NA	NA
+PJ003681	DKEM 	C20H35N5O9S	521.2156	NA	PeJP	NA	NA
+PJ003682	NNQF 	C22H31N7O8	521.2234	NA	PeJP	NA	NA
+PJ003683	GGGGGAF 	C22H31N7O8	521.2235	NA	PeJP	NA	NA
+MJ076886	Ryanodine; 10-Epimer, 8?-hydroxy, 19,21-didehydro, O4-Me 	C26H35NO10	521.226096	NA	MeJP	NA	NA
+PJ003684	SEMR 	C19H35N7O8S	521.2268	NA	PeJP	NA	NA
+MJ076887	N6-[2-(3,5-Dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine 	C27H31N5O6	521.227433	NA	MeJP	NA	NA
+PJ003685	GPYW 	C27H31N5O6	521.2275	NA	PeJP	NA	NA
+PJ003686	SVMW 	C24H35N5O6S	521.2308	NA	PeJP	NA	NA
+MJ076888	Difenoximide 	C32H31N3O4	521.231456	NA	MeJP	NA	NA
+PJ003687	SSSLE 	C20H35N5O11	521.2333	NA	PeJP	NA	NA
+PJ003688	LQMM 	C21H39N5O6S2	521.2342	NA	PeJP	NA	NA
+PJ003689	TQHH 	C21H31N9O7	521.2347	NA	PeJP	NA	NA
+MJ076889	1,6,9-Trihydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 9-benzoyl, 1-Ac 	C30H35NO7	521.241352	NA	MeJP	NA	NA
+MJ076890	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 20-Aldehyde, 12-(2-methylaminobenzoyl), 13-Ac 	C30H35NO7	521.241352	NA	MeJP	NA	NA
+MJ076891	Faurine; Me ether 	C30H35NO7	521.241352	NA	MeJP	NA	NA
+PJ003690	PCFR 	C23H35N7O5S	521.2421	NA	PeJP	NA	NA
+PJ003691	SSSNK 	C19H35N7O10	521.2446	NA	PeJP	NA	NA
+PJ003692	CLMR 	C20H39N7O5S2	521.2454	NA	PeJP	NA	NA
+PJ003693	PDKY 	C24H35N5O8	521.2486	NA	PeJP	NA	NA
+EUR885	Lyso PE 20:5 [M+Na]+	C25H42NO7P	521.251838	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR885	Lyso PE 20:5 [M+Na]+	C25H42NO7P	521.251838	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR885	Lyso PE 20:5 [M+Na]+	C25H42NO7P	521.251838	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR885	Lyso PE 20:5 [M+Na]+	C25H42NO7P	521.251838	masses lipides attendues	Inhousejuil11	NA	NA
+PJ003694	GTTLM 	C21H39N5O8S	521.252	NA	PeJP	NA	NA
+PJ003695	SPRY 	C23H35N7O7	521.2598	NA	PeJP	NA	NA
+MJ076892	Keitine; 1-Epimer, O4'-?-D-glucopyranoside 	C27H39NO9	521.262481	NA	MeJP	NA	NA
+MJ076893	Keitine; O4'-?-D-Glucopyranoside 	C27H39NO9	521.262481	NA	MeJP	NA	NA
+MJ076894	Staphisadrine 	C27H39NO9	521.262481	NA	MeJP	NA	NA
+PJ003696	GSCKK 	C20H39N7O7S	521.2632	NA	PeJP	NA	NA
+HMDB05777	Morphiceptin	C28H35N5O5	521.26379	http://www.hmdb.ca/metabolites/HMDB05777	HMDB	NA	NA
+HMDB05777	Morphiceptin	C28H35N5O5	521.26379	HMDB05777	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05777	Morphiceptin	C28H35N5O5	521.263794	NA	HMDB2010	NA	NA
+PJ003697	GLFW 	C28H35N5O5	521.2638	NA	PeJP	NA	NA
+MJ076895	Ergobalansine 	C28H35N5O5	521.263819	NA	MeJP	NA	NA
+MJ076896	Tyrosylprolylphenylalanylprolinamide 	C28H35N5O5	521.263819	NA	MeJP	NA	NA
+PJ003698	PKMF 	C25H39N5O5S	521.2672	NA	PeJP	NA	NA
+PJ003699	STTTL 	C21H39N5O10	521.2697	NA	PeJP	NA	NA
+PJ003700	LKMM 	C22H43N5O5S2	521.2706	NA	PeJP	NA	NA
+PJ003701	TKHH 	C22H35N9O6	521.271	NA	PeJP	NA	NA
+EUR852	Lyso PE 18:3 [M+FA-H]-	C23H42NO7P	521.274772	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR852	Lyso PE 18:3 [M+FA-H]-	C23H42NO7P	521.274772	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR852	Lyso PE 18:3 [M+FA-H]-	C23H42NO7P	521.274772	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR852	Lyso PE 18:3 [M+FA-H]-	C23H42NO7P	521.274772	masses lipides attendues	Inhousejuil11	NA	NA
+MJ076897	Cytochalasin B; O7-Ac 	C31H39NO6	521.277737	NA	MeJP	NA	NA
+MJ076898	Lythrancine I; 4-Deoxy, di-Ac 	C31H39NO6	521.277737	NA	MeJP	NA	NA
+PJ003702	VLQY 	C25H39N5O7	521.285	NA	PeJP	NA	NA
+PJ003703	ALRY 	C24H39N7O6	521.2962	NA	PeJP	NA	NA
+MJ076899	Delcorine; O6-Ac 	C28H43NO8	521.298867	NA	MeJP	NA	NA
+MJ076900	Neoline; O1,O14-Di-Ac 	C28H43NO8	521.298867	NA	MeJP	NA	NA
+MJ076901	Neoline; O8,O14-Di-Ac 	C28H43NO8	521.298867	NA	MeJP	NA	NA
+MJ076902	Kuramerine 	C28H44NO8(+)	521.298867	NA	MeJP	NA	NA
+PJ003704	PLHR 	C23H39N9O5	521.3074	NA	PeJP	NA	NA
+2812	PEP inhibitor	LPPPV	521.308	NA	Inhouse_peptide	NA	peptide
+MJ076903	Terpendole I; 17-O-(3-Methyl-2-butenyl) 	C32H43NO5	521.314123	NA	MeJP	NA	NA
+MJ076904	AAL Toxin; AAL Toxin TA1 	C25H47NO10	521.319996	NA	MeJP	NA	NA
+MJ076905	AAL Toxin; AAL Toxin TA2 	C25H47NO10	521.319996	NA	MeJP	NA	NA
+PJ003705	VLKY 	C26H43N5O6	521.3213	NA	PeJP	NA	NA
+PJ003706	PPPVL 	C26H43N5O6	521.3214	NA	PeJP	NA	NA
+MJ076906	Dihydrogadesine; O1-Me, O14-(2-methylbutanoyl) 	C29H47NO7	521.335252	NA	MeJP	NA	NA
+MJ076907	Mycinamycin VI; 21-Demycinosyl 	C29H47NO7	521.335252	NA	MeJP	NA	NA
+C15683	Mycinamicin VII	C29H47NO7	521.3353	NA	KEGG	NA	NA
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR526	18 :1 Lyso PC F1	NA	521.346125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+CJpos0815	1-Oleoylglycerophosphocholine LysoPC(18:1) [(M+H)]+	C26H53NO7P	521.347575	C18rt(min)=12 Pos putatively characterized a	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0815	1-Oleoylglycerophosphocholine LysoPC(18:1) [(M+H)]+	C26H53NO7P	521.347575	C18rt(min)=12 Pos putatively characterized a	base_CJunot_PubAnalChem2012_POS	positive	NA
+EUR664	Lyso PC 18:1 monoisotopic mass 	C26H52NO7P	521.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR896	Lyso PE 22:1 [M-H-CH3]-	C27H54NO7P	521.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR664	Lyso PC 18:1 monoisotopic mass 	C26H52NO7P	521.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR896	Lyso PE 22:1 [M-H-CH3]-	C27H54NO7P	521.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR664	Lyso PC 18:1 monoisotopic mass 	C26H52NO7P	521.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR896	Lyso PE 22:1 [M-H-CH3]-	C27H54NO7P	521.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR664	Lyso PC 18:1 monoisotopic mass 	C26H52NO7P	521.348142	masses lipides attendues	Inhousejuil11	NA	NA
+EUR896	Lyso PE 22:1 [M-H-CH3]-	C27H54NO7P	521.348142	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB02815	LysoPC(18:1(9Z))	C26H52NO7P	521.348145	NA	HMDB2010	NA	NA
+HMDB10385	LysoPC(18:1(11Z))	C26H52NO7P	521.348145	NA	HMDB2010	NA	NA
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR589	LysoPC(18:1)	[M+H]+	521.348175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR589	LysoPC(18:1)	[M+H]+	521.348175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR589	LysoPC(18:1)	[M+H]+	521.348175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR589	LysoPC(18:1)	NA	521.348175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR589	LysoPC(18:1)	[M+H]+	521.348175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR589	LysoPC(18:1)	NA	521.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	PFEM_hmdb_metabocards_urine	NA	urine
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	HMDB	NA	NA
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	Inhouse_PFEM	NA	NA
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	PFEM_hmdb_metabocards_blood	NA	blood
+MLBis013	Lysophosphatidylcholine 18 1 9Z	HMDB02815_RT15.85_add	521.3488	Mlbis	PFEM_hmdb_metabocards_official	NA	NA
+MJ076908	Indanomycin; Homologue (R = CH2CH3), 4-methyl 	C33H47NO4	521.350508	NA	MeJP	NA	NA
+MJ076909	Bismuth iodosubgallate 	C7H6BiIO6	521.901289	NA	MeJP	NA	NA
+MJ076910	Tribromospirocacoxanthene; Ac 	C18H21Br3O3	521.904082	NA	MeJP	NA	NA
+MJ076911	Mercury(I) acetate 	C4H6Hg2O4	521.967859	NA	MeJP	NA	NA
+MJ076912	Bromotetracycline 	C22H23BrN2O8	522.063778	NA	MeJP	NA	NA
+MJ076913	Lodazecar 	C22H24BrClN4O4	522.066945	NA	MeJP	NA	NA
+MJ076914	?-Rubromycin 	C26H18O12	522.079826	NA	MeJP	NA	NA
+MJ076915	Tenuecyclamide C; 14-S-Oxide 	C20H22N6O5S3	522.081379	NA	MeJP	NA	NA
+MJ076916	Cassiamin C; 6-Hydroxy 	C30H18O9	522.095082	NA	MeJP	NA	NA
+MJ076917	Kudzuisoflavone A; 5-Hydroxy 	C30H18O9	522.095082	NA	MeJP	NA	NA
+MJ076918	Madagascarin; 6'-Deoxy 	C30H18O9	522.095082	NA	MeJP	NA	NA
+MJ076919	Roseoskyrin 	C30H18O9	522.095082	NA	MeJP	NA	NA
+MJ076920	Siameanin; 7-Hydroxy 	C30H18O9	522.095082	NA	MeJP	NA	NA
+MJ076921	Skyrin, 2'-Deoxy 	C30H18O9	522.095082	NA	MeJP	NA	NA
+MJ076922	Pinnaterpene A; 18-Hydroxy 	C22H36Br2O4	522.098034	NA	MeJP	NA	NA
+FL5FAIGS0003	Syringetin 3-glucuronide	C23H22O14	522.10095	-	knapsack	NA	NA
+FL5FECGS0014	Spinatoside	C23H22O14	522.10095	65039-74-9	knapsack	NA	NA
+FL5FECGS0040	Quercetagetin 7-(6''-acetylglucoside)	C23H22O14	522.10095	168293-29-6	knapsack	NA	NA
+MJ076923	3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone; 4'-O-?-D-Glucuronopyranoside 	C23H22O14	522.100955	NA	MeJP	NA	NA
+MJ076924	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(6-O-Acetyl-?-D-galactopyranoside) 	C23H22O14	522.100955	NA	MeJP	NA	NA
+MJ076925	3,3',4',5,6,7-Hexahydroxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C23H22O14	522.100955	NA	MeJP	NA	NA
+MJ076926	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-(Acetyl-?-D-glucopyranoside) 	C23H23O14(+)	522.100955	NA	MeJP	NA	NA
+MJ076927	Cefoselis 	C19H22N8O6S2	522.110371	NA	MeJP	NA	NA
+C11210	Cefoselis	C19H22N8O6S2	522.1104	NA	KEGG	NA	NA
+C11211	Transferred to D01054	C19H22N8O6S2	522.1104	NA	KEGG	NA	NA
+C02539	Fenprofen calcium	C18H22O5S	522.1355	NA	KEGG	NA	NA
+C10465	Iridin	C24H26O13	522.1373	NA	KEGG	NA	NA
+MJ076928	1,2,4,5,6,7-Hexahydroxy-3-methylanthraquinone; 5,6,7-Tri-Me ether, 2-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076929	1,7-Dihydroxyxanthone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076930	2',3,4',5,5',7-Hexahydroxyflavone; 3,4',7-Tri-Me ether, 2'-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076931	2',5,6',7,8-Pentahydroxyflavanone, 6',7,8-Tri-Me ether, 2'-O-?-D-glucuronopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076932	2',5,6,6',7,8-Hexahydroxyflavone; 6,7,8-Tri-Me ether, 2'-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076933	3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076934	3',4',5,5',6,7-Hexahydroxyisoflavone; 3',5',6-Tri-Me ether, 7-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076935	3',4',5-Trihydroxy-3,6,7-trimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076936	3',5,6-Trihydroxy-3,4',7-trimethoxyflavone; 3'-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076937	3',5,6-Trihydroxy-3,4',7-trimethoxyflavone; 6-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076938	3',5,7-Trihydroxy-3,4',6-trimethoxyflavone; 7-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076939	3,3',4',5,5',7,8-Heptahydroxyflavone; 3',5,8-Tri-Me ether, 3-O-?-L-rhamnopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076940	3,3',4',5,6,7-Hexahydroxyflavone; 3',4',6-Tri-Me ether, 3-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076941	3,3',4',5,7,8-Hexahydroxyflavone; 3',4',7-Tri-Me ether, 8-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076942	3,4-Dihydro-4,5,8-trihydroxy-1(2H)-naphthalenone, 5-O-[(3,5-Dihydroxy-4-methoxybenzoyl)-(?6)-?-D-glucopyranoside] 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076943	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-(3,4-Dihydroxy-E-cinnamoyl), 4-O-?-D-glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076944	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl] 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076945	4',5,6-Trihydroxy-3,3',7-trimethoxyflavone; 6-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076946	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076947	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 7-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076948	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 5-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+MJ076949	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-?-D-Glucopyranoside 	C24H26O13	522.13734	NA	MeJP	NA	NA
+FL2FF8GS0001	5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide	C24H26O13	522.13734	112408-69-2	knapsack	NA	NA
+FL3FG8GS0001	5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one	C24H26O13	522.13734	168293-26-3	knapsack	NA	NA
+FL3FGCGS0005	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-glucoside	C24H26O13	522.13734	70575-23-4	knapsack	NA	NA
+FL3FGCGS0006	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-glucoside	C24H26O13	522.13734	70575-17-6	knapsack	NA	NA
+FL5FALGS0002	Chrysosplenoside A	C24H26O13	522.13734	23615-30-7	knapsack	NA	NA
+FL5FECGL0013	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside	C24H26O13	522.13734	144599-13-3	knapsack	NA	NA
+FL5FECGS0023	Chrysosplenoside D	C24H26O13	522.13734	25321-00-0	knapsack	NA	NA
+FL5FECGS0024	Jaceidin 5-glucoside	C24H26O13	522.13734	151590-53-3	knapsack	NA	NA
+FL5FECGS0025	Jacein	C24H26O13	522.13734	35305-11-4	knapsack	NA	NA
+FL5FECGS0029	Centaurein	C24H26O13	522.13734	35595-03-0	knapsack	NA	NA
+FL5FECGS0030	Chrysosplenoside C	C24H26O13	522.13734	24274-45-1	knapsack	NA	NA
+FL5FECGS0032	Oxyayanin B 6-glucoside	C24H26O13	522.13734	71827-16-2	knapsack	NA	NA
+FL5FECGS0033	Oxyayanin B 3'-glucoside	C24H26O13	522.13734	71827-12-8	knapsack	NA	NA
+FL5FELGS0005	Tridaxidone;5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-4H-1-benzopyran-4-one	C24H26O13	522.13734	439147-54-3	knapsack	NA	NA
+FL5FFGGS0003	Hibiscetin 8,3',5'-trimethyl ether 3-rhamnoside;8-Hydroxymyricetin 8,3',5'-trimethyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one	C24H26O13	522.13734	167499-83-4	knapsack	NA	NA
+FL5FGCGS0003	5,4'-Dihydroxy-6,7,8,3'-tetramethoxyflavone 4'-galactoside	C24H26O13	522.13734	-	knapsack	NA	NA
+FLIAEGGS0001	Irigenin 7-O-glucoside;Iridin	C24H26O13	522.13734	491-74-7	knapsack	NA	NA
+FLIAEGGS0002	5,7,4'-Trihydroxy-6,3',5'-trimethoxyisoflavone 7-O-glucoside	C24H26O13	522.13734	86849-70-9	knapsack	NA	NA
+MetaCyc03770	rosmarinic acid 3'-O-&beta;-glucoside []	C24H26O13	522.137341	NA	metacyc	NA	NA
+PJ003707	GCNDD 	C17H26N6O11S	522.138	NA	PeJP	NA	NA
+PJ003708	GGGCDD 	C17H26N6O11S	522.1381	NA	PeJP	NA	NA
+MJ076950	8-Methoxychlorotetracycline; N-Me 	C24H27ClN2O9	522.140508	NA	MeJP	NA	NA
+PJ003709	SPCCN 	C18H30N6O8S2	522.1567	NA	PeJP	NA	NA
+PJ003710	DEEM 	C19H30N4O11S	522.1632	NA	PeJP	NA	NA
+MJ076951	Candenatone 	C32H26O7	522.167853	NA	MeJP	NA	NA
+MJ076952	Daljanelin A 	C32H26O7	522.167853	NA	MeJP	NA	NA
+MJ076953	Daljanelin B 	C32H26O7	522.167853	NA	MeJP	NA	NA
+MJ076954	Daljanelin C 	C32H26O7	522.167853	NA	MeJP	NA	NA
+C09501	Melampodinin	C25H30O12	522.1737	NA	KEGG	NA	NA
+MJ076955	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), 9-Ac, Me ester 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076956	Arbutin; 4-O-[3-(3,4-Dimethoxybenzoyloxy)-2-methylpropanoyl](R-) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076957	Arbutin; 6-O-[3-(3,4-Dimethoxybenzoyloxy)-2-methylpropanoyl](R-) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076958	Aucubigenin; 10-O-(4-Hydroxy-3-methoxycinnamoyl), 1-O-?-D-glucopyranoside 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076959	Cachineside IV; 7-Cinnamoyl 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076960	Catalpol; 10-O-(4-Methoxy-E-cinnamoyl) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076961	Catalpol; 10-O-(4-Methoxy-Z-cinnamoyl) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076962	Loganic acid; 7-(4-Hydroxycinnamoyl)(E-) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076963	Mussaenosidic acid; 2'-(4-Hydroxy-E-cinnamoyl) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076964	Mussaenosidic acid; 2'-(4-Hydroxy-Z-cinnamoyl) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076965	Mussaenosidic acid; 6'-O-(4-Hydroxycinnamoyl) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076966	Tecomoside; 7-(4-Hydroxycinnamoyl) (E-) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+MJ076967	Tecomoside; 8-Epimer, 2'-(4-hydroxycinnamoyl) (E-) 	C25H30O12	522.173726	NA	MeJP	NA	NA
+PJ003711	GSNDM 	C18H30N6O10S	522.1744	NA	PeJP	NA	NA
+PJ003712	DDHH 	C20H26N8O9	522.1823	NA	PeJP	NA	NA
+MJ076968	Rocaglatic acid; 3'-Methoxy, Me ester 	C29H30O9	522.188982	NA	MeJP	NA	NA
+PJ003713	SCQW 	C22H30N6O7S	522.1897	NA	PeJP	NA	NA
+PJ003714	SSSNE 	C18H30N6O12	522.1922	NA	PeJP	NA	NA
+PJ003715	NQMM 	C19H34N6O7S2	522.1931	NA	PeJP	NA	NA
+MJ076969	Asystasioside B; 7,8?-Dihydro 	C22H34O14	522.194855	NA	MeJP	NA	NA
+MJ076970	Deoxyloganic acid; ?-D-Glucopyranosyl ester 	C22H34O14	522.194855	NA	MeJP	NA	NA
+PJ003716	PDEY 	C23H30N4O10	522.1962	NA	PeJP	NA	NA
+MJ076971	Cliviamartine 	C28H30N2O8	522.200215	NA	MeJP	NA	NA
+MJ076972	3,4-Dihydro-5-methoxy-12-methyl-2,8-diphenyl-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-11,13-diol; 5-Me ether 	C33H30O6	522.204238	NA	MeJP	NA	NA
+MJ076973	Dracoflavan B1; 3-Deoxy 	C33H30O6	522.204238	NA	MeJP	NA	NA
+MJ076974	Magnolignan I 	C33H30O6	522.204238	NA	MeJP	NA	NA
+PJ003717	CNMR 	C18H34N8O6S2	522.2043	NA	PeJP	NA	NA
+PJ003718	GSSSW 	C22H30N6O9	522.2074	NA	PeJP	NA	NA
+PJ003719	GGNEF 	C22H30N6O9	522.2075	NA	PeJP	NA	NA
+C08769	Isobrucein A	C26H34O11	522.2101	NA	KEGG	NA	NA
+C08777	Quassimarin	C26H34O11	522.2101	NA	KEGG	NA	NA
+MJ076975	11,12-Epoxy-2,8,9,14,16-pentahydroxy-3,5-briaradien-18,7-olide, 2,9,14-Tri-Ac 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076976	15,16-Epoxy-3-hydroxy-19-nor-4,13(16),14-clerodatrien-17,21-olid-18-oic acid, 3-O-?-D-Glucopyranoside, 18-Me ester 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076977	15,16-Epoxy-6-hydroxy-19-nor-4,13(16),14-clerodatrien-17,12-olid-18-oic acid, O-?-D-Glucopyranoside, Me ester 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076978	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076979	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076980	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076981	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076982	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076983	3',4,4',5,9,9'-Hexahydroxy-2,7'-cyclolignan, 3',5-Di-Me ether, 9-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076984	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076985	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076986	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 9-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076987	5,10-Epoxy-3,8,15-trihydroxy-11(13)-germacren-12,6-olide, 8-(2-Acetoxymethyl-2Z-butenoyl), 3,15-di-Ac 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076988	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 8-tigloyl, 15-O-?-D-glucopyranoside 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076989	8,17-Epoxy-2,3,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,3,9-Tri-Ac 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076990	8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,3,14-tri-Ac 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076991	8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,4,9-Tri-Ac 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076992	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,4,14-tri-Ac 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076993	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2-Hydroxy-2-methyl-3-oxobutanoyl), 9-(3-hydroxy-2-methylbutanoyl), Me ester 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076994	Alysine B 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076995	Bruceanol A; 15-Deacyl, 15-(3-methylbutanoyl) 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076996	Bruceolide; 15-(3-Methylbutanoyl) 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076997	Helmanticin; 2'',3''-Epoxide 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076998	Icariside E5 	C26H34O11	522.210111	NA	MeJP	NA	NA
+MJ076999	Teulanigerin 	C26H34O11	522.210111	NA	MeJP	NA	NA
+PJ003720	GSTQM 	C19H34N6O9S	522.2108	NA	PeJP	NA	NA
+PJ003721	PEMF 	C24H34N4O7S	522.2148	NA	PeJP	NA	NA
+MJ077000	Temurtide 	C20H34N4O12	522.217322	NA	MeJP	NA	NA
+PJ003722	LEMM 	C21H38N4O7S2	522.2182	NA	PeJP	NA	NA
+PJ003723	TEHH 	C21H30N8O8	522.2187	NA	PeJP	NA	NA
+PJ003724	GSTCR 	C18H34N8O8S	522.2221	NA	PeJP	NA	NA
+PJ003725	GNFW 	C26H30N6O6	522.2227	NA	PeJP	NA	NA
+FL3FRNNF0006	Carpelastofuran;6,7,10,11-Tetrahydro-3,9-dihydroxy-6,11-bis(1-hydroxy-1-methylethyl)-13-(3-methyl-2-butenyl)-8H-furo[3',2':6,7][1]benzopyrano[3,2-d][1]benzoxepin-8-one	C30H34O8	522.22536	404889-57-2	knapsack	NA	NA
+MJ077001	Eupodienone 2; 9-Benzoyl 	C30H34O8	522.225368	NA	MeJP	NA	NA
+MJ077002	Gomisin S; 7-Epimer, benzoyl 	C30H34O8	522.225368	NA	MeJP	NA	NA
+MJ077003	Schizandrin; 3'-O-De-Me, 3'-benzoyl 	C30H34O8	522.225368	NA	MeJP	NA	NA
+PJ003726	SCKW 	C23H34N6O6S	522.2261	NA	PeJP	NA	NA
+PJ003727	SSSDK 	C19H34N6O11	522.2286	NA	PeJP	NA	NA
+PJ003728	NKMM 	C20H38N6O6S2	522.2294	NA	PeJP	NA	NA
+PJ003729	AACKM 	C20H38N6O6S2	522.2295	NA	PeJP	NA	NA
+PJ003730	VEEF 	C24H34N4O9	522.2326	NA	PeJP	NA	NA
+MJ077004	N-[(4-Mercapto-2-pyrrolidinyl)methyl]valyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonylmethionine 	C25H38N4O4S2	522.233447	NA	MeJP	NA	NA
+2868	opioid peptide	YPFP	522.235	antibacterial	Inhouse_peptide	NA	peptide
+3663	NA	DLYYLMDL	522.2361	MH2+	Inhouse_peptide	NA	peptide
+MJ077005	Bargustanine 	C29H34N2O7	522.236601	NA	MeJP	NA	NA
+PJ003731	VMHH 	C22H34N8O5S	522.2373	NA	PeJP	NA	NA
+MJ077006	Physalolactone; 4-Deoxy 	C28H39ClO7	522.238431	NA	MeJP	NA	NA
+MJ077007	Withanolide C 	C28H39ClO7	522.238431	NA	MeJP	NA	NA
+PJ003732	SSSSR 	C18H34N8O10	522.2398	NA	PeJP	NA	NA
+MJ077008	Sinensol F 	C34H34O5	522.240624	NA	MeJP	NA	NA
+PJ003733	VNQY 	C23H34N6O8	522.2438	NA	PeJP	NA	NA
+MJ077009	3,7,8,10,11-Pentahydroxy-4-guaien-12,6-olide, 3-Angeloyl, 8-(2-methylbutanoyl), 10-Ac 	C27H38O10	522.246497	NA	MeJP	NA	NA
+MJ077010	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-Propanoyl, 6,19-di-Ac 	C27H38O10	522.246497	NA	MeJP	NA	NA
+MJ077011	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-tigloyl, 4-Ac 	C27H38O10	522.246497	NA	MeJP	NA	NA
+MJ077012	8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 12-Propanoyl, 2,14-di-Ac 	C27H38O10	522.246497	NA	MeJP	NA	NA
+C09563	Trilobolide	C27H38O10	522.2465	NA	KEGG	NA	NA
+PJ003734	GSTKM 	C20H38N6O8S	522.2472	NA	PeJP	NA	NA
+PJ003735	PPFY 	C28H34N4O6	522.2479	NA	PeJP	NA	NA
+PJ003736	PLMY 	C25H38N4O6S	522.2512	NA	PeJP	NA	NA
+PJ003737	GQRY 	C22H34N8O7	522.2551	NA	PeJP	NA	NA
+FL2FALNI0022	Exiguaflavanone D	C31H38O7	522.26175	149725-17-7	knapsack	NA	NA
+MJ077013	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 10-Ac 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077014	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2-Ac 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077015	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 9-Ac 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077016	5,9,12,13-Tetrahydroxy-1,6-tigliadien-3-one, 12-Benzoyl, 13-(2-methylpropanoyl) 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077017	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-Benzoyl, 13-(2-methylpropanoyl) 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077018	Exiguaflavanone D 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077019	Lathyrol; 3-Benzoyl, 5,15-di-Ac 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077020	Netzahualcoyol 	C31H38O7	522.261753	NA	MeJP	NA	NA
+MJ077021	Okaramine C; 1',2'-Didehydro 	C32H34N4O3	522.26309	NA	MeJP	NA	NA
+MJ077022	Okaramine J; 1',2'-Didehydro 	C32H34N4O3	522.26309	NA	MeJP	NA	NA
+MJ077023	Okaramine O; 1'-Deoxy 	C32H34N4O3	522.26309	NA	MeJP	NA	NA
+PJ003738	SSTTK 	C20H38N6O10	522.265	NA	PeJP	NA	NA
+PJ003739	PNHR 	C21H34N10O6	522.2663	NA	PeJP	NA	NA
+MJ077024	7-Megastigmene-3,6,9-triol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H42O12	522.267626	NA	MeJP	NA	NA
+MJ077025	7-Megastigmene-3,6,9-triol, 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C24H42O12	522.267626	NA	MeJP	NA	NA
+PJ003740	VLEY 	C25H38N4O8	522.269	NA	PeJP	NA	NA
+3039	inhibitor og fibrinogen and thrombin coagulation	GPRPP	522.278	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003741	VNKY 	C24H38N6O7	522.2802	NA	PeJP	NA	NA
+MJ077026	16-Kaurene-6,15,20-triol, 6-Ketone, 20-O-(2-acetyl-?-D-glucopyranoside) 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077027	19-Hydroxy-8(17),13-labdadien-16,15-olide; ent-form, O-(6-O-Acetyl-?-D-glucopyranoside) 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077028	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Ribopyranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077029	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Xylopyranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077030	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Arabinopyranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077031	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Lyxopyranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077032	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Xylopyranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077033	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-D-Ribofuranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077034	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Lyxopyranoside 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077035	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-Ketone, 16-(3-hydroxy-3-methylglutaryl), 2-Ac 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077036	4,18:11,16:15,16-Triepoxy-3,6,19-clerodanetriol, 3-(2-Methylpropanoyl), 6,19-di-Ac 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077037	4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, 6,7-Bis(2-methylpropanoyl) 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077038	6,12,15,16-Spongianetetrol, Tetra-Ac 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077039	6,13-Epoxy-7-eunicellene-3,4,9,12-tetrol, Tetra-Ac 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077040	6,13-Epoxy-8(19)-eunicellene-3,4,9,12-tetrol, Tetra-Ac 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077041	8,13-Epoxy-14-labdene-1,6,7,11-tetrol, 1,6,7,11-Tetra-Ac 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077042	Physangulide 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077043	Sengosterone; 29-Nor 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077044	Soraphen A; 12,13-Dihydro, 13,14-didehydro, 12?-hydroxy, 10-O-de-Me 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077045	Soraphen A; 12,13-Dihydro, 7,8-didehydro, 13?-hydroxy, 11-O-de-Me 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077046	Soraphen A; 12?,13?-Epoxide, 11-O-de-Me 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077047	Soraphen A; 20-Hydroxy,11-O-de-Me 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077048	Soraphen A; 8?-Hydroxy, 10-O-de-Me 	C28H42O9	522.282882	NA	MeJP	NA	NA
+MJ077049	Soraphen A; 8?-Hydroxy,11-O-de-Me 	C28H42O9	522.282882	NA	MeJP	NA	NA
+PJ003742	PLFF 	C29H38N4O5	522.2842	NA	PeJP	NA	NA
+MJ077050	Aphelandrine, 17,18-Diepimer, 26-methoxy 	C29H38N4O5	522.28422	NA	MeJP	NA	NA
+MJ077051	Aphelandrine, 17,18-Diepimer, deoxy, 30-methoxy 	C29H38N4O5	522.28422	NA	MeJP	NA	NA
+MJ077052	Nummularine E 	C29H38N4O5	522.28422	NA	MeJP	NA	NA
+PJ003743	LLMF 	C26H42N4O5S	522.2876	NA	PeJP	NA	NA
+2673	synthetic fr, of human beta-CN (121-129) ACE inhibitor	LENLHLPLP	522.29145	MH2+	Inhouse_peptide	NA	peptide
+PJ003744	GKRY 	C23H38N8O6	522.2915	NA	PeJP	NA	NA
+MJ077053	Azadironol 	C32H42O6	522.298139	NA	MeJP	NA	NA
+MJ077054	Ingenol; 3-(2,4,6,8-Dodecatetraenoyl) 	C32H42O6	522.298139	NA	MeJP	NA	NA
+MJ077055	Amauromine; 2,3-Diepimer, N1'-Me 	C33H38N4O2	522.299476	NA	MeJP	NA	NA
+MJ077056	5''-Amino-3',4,5''-trideoxybutirosin A 	C21H42N6O9	522.301326	NA	MeJP	NA	NA
+MJ077057	12-Chloro-2,3,13,24-tetrahydroxy-28-oleananoic acid, 28?13 Lactone 	C30H47ClO5	522.311202	NA	MeJP	NA	NA
+PJ003745	TKKF 	C25H42N6O6	522.3166	NA	PeJP	NA	NA
+MJ077058	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2-Ac 	C29H46O8	522.319268	NA	MeJP	NA	NA
+MJ077059	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 25-Ac 	C29H46O8	522.319268	NA	MeJP	NA	NA
+MJ077060	Pregn-6-ene-3,17,20-triol, 3-O-(3-O-Acetyl-?-D-fucopyranoside) 	C29H46O8	522.319268	NA	MeJP	NA	NA
+MJ077061	Siphonarin B; 3S-Alcohol 	C29H46O8	522.319268	NA	MeJP	NA	NA
+MJ077062	Soraphen A; 12,13-Dihydro 	C29H46O8	522.319268	NA	MeJP	NA	NA
+MJ077063	Protoverbine; 4'-Methoxy, N9-(4-methoxy-Z-cinnamoyl) 	C30H42N4O4	522.320605	NA	MeJP	NA	NA
+MJ077064	Protoverbine; N9-(3,4-Dimethoxy-E-cinnamoyl) 	C30H42N4O4	522.320605	NA	MeJP	NA	NA
+MJ077065	Protoverbine; N9-(3,4-Dimethoxy-Z-cinnamoyl) 	C30H42N4O4	522.320605	NA	MeJP	NA	NA
+MJ077066	Bengazole Z; O2-(13-Methyltetradecanoyl) 	C28H46N2O7	522.330501	NA	MeJP	NA	NA
+MJ077067	Bengazole Z; O2-Pentadecanoyl 	C28H46N2O7	522.330501	NA	MeJP	NA	NA
+MJ077068	Bengazole Z; O3-(13-Methyltetradecanoyl) 	C28H46N2O7	522.330501	NA	MeJP	NA	NA
+MJ077069	Bengazole Z; O4-(13-Methyltetradecanoyl) 	C28H46N2O7	522.330501	NA	MeJP	NA	NA
+MJ077070	Bengazole Z; O6-Pentadecanoyl 	C28H46N2O7	522.330501	NA	MeJP	NA	NA
+MJ077071	Lacrimin C 	C33H46O5	522.334524	NA	MeJP	NA	NA
+MJ077072	Morinin A; 5'-(9,12,15-Octadecatrienoyloxy)(Z,Z,Z-) 	C33H46O5	522.334524	NA	MeJP	NA	NA
+MJ077073	Cycloart-24-ene-3,23-diol, 3-O-Sulfate 	C30H50O5S	522.337895	NA	MeJP	NA	NA
+HMDB02815	Oleoyl lysophosphatidylcholine	C26H53NO7P	522.35596	http://www.hmdb.ca/metabolites/HMDB02815	HMDB	NA	NA
+HMDB02815	Oleoyl lysophosphatidylcholine	C26H53NO7P	522.35596	HMDB02815	PFEM_hmdb_metabocards_official	NA	NA
+C03916	1-Oleoylglycerophosphocholine	C26H53NO7P	522.356	NA	KEGG	NA	NA
+MJ077074	Coenzyme Q; Coenzyme Q5 	C34H50O4	522.37091	NA	MeJP	NA	NA
+MJ077075	Milbemycin ?3; 26-O-(3-Methylbutanoyloxy) 	C27H54O9	522.376783	NA	MeJP	NA	NA
+MJ077076	3,20-Diaminopregnan-12-ol, N3,N20,N20-Tri-Me, N3-benzoyl, 12-Ac 	C33H50N2O3	522.382143	NA	MeJP	NA	NA
+MJ077077	3,20-Diaminopregnan-4-ol, N3,N20,N20-Tri-Me, N3-benzoyl, O-Ac 	C33H50N2O3	522.382143	NA	MeJP	NA	NA
+MJ077078	Cyclomicrophylline I; 6,7-Dihydro, N20,N20-di-Me, N3-benzoyl 	C33H50N2O3	522.382143	NA	MeJP	NA	NA
+MJ077079	Panaxydol; 9,12-Octadecadienoyl(Z,Z-) 	C35H54O3	522.407295	NA	MeJP	NA	NA
+MJ077080	Hoprominol 	C30H58N4O3	522.450891	NA	MeJP	NA	NA
+MJ077081	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Tetradecanoyl 	C33H62O4	522.46481	NA	MeJP	NA	NA
+MJ077082	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Tetradecanoyl 	C33H62O4	522.46481	NA	MeJP	NA	NA
+MJ077083	Tetrahydro-6-(2-hydroxy-16,19-dimethylhexacosyl)-4-methyl-2H-pyran-2-one 	C34H66O3	522.501195	NA	MeJP	NA	NA
+MJ077084	Hexacosanoic acid; Nonyl ester 	C35H70O2	522.537581	NA	MeJP	NA	NA
+MJ077085	Triacontanoic acid; Pentyl ester 	C35H70O2	522.537581	NA	MeJP	NA	NA
+MJ077086	1-Hexatriacontanol 	C36H74O	522.573966	NA	MeJP	NA	NA
+3463	angiotensin II	DRVYIHPF	522.76045	MH2+	Inhouse_peptide	NA	peptide
+8125	secretory peptide hormone - angiotensin II	DRVYIHPF	522.76045	MH2+	Inhouse_peptide	NA	peptide
+HMDB01035	Angiotensin II	C50H71N13O12	522.767273	MH2+	Inhouse_peptide	NA	peptide
+MJ077087	7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Amide, N-[4-(methoxycarbonylamino)-2-oxobutyl] 	C16H19Br2N3O7	522.958975	NA	MeJP	NA	NA
+MJ077088	7,9-Dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4,5]deca-2,6,8-triene-3-carboxylic acid, Amide, N-[4-(methoxycarbonylamino)-3-oxobutyl] 	C16H19Br2N3O7	522.958975	NA	MeJP	NA	NA
+C13742	Adenosine 5-O-(3-thiotriphophate)	C10H16N5O12P3S	522.9729	NA	KEGG	NA	NA
+MJ077089	Guanosine 5'-triphosphate 	C10H16N5O14P3	522.990659	NA	MeJP	NA	NA
+MJ077090	GTP 	C10H16N5O14P3	522.990659	NA	MeJP	NA	NA
+HMDB01273	Guanosine triphosphate	C10H16N5O14P3	522.99066	http://www.hmdb.ca/metabolites/HMDB01273	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01273	Guanosine triphosphate	C10H16N5O14P3	522.99066	http://www.hmdb.ca/metabolites/HMDB01273	HMDB	NA	NA
+MetaCyc03771	GTP [guanylyl imidodiphosphate;guanosine 5'-triphosphate;guanosine-triphosphate;]	C10H16N5O14P3	522.99066	86-01-1	metacyc	NA	NA
+MetaCyc03772	8-hydroxydeoxyguanosine 5'-triphosphate []	C10H16N5O14P3	522.99066	NA	metacyc	NA	NA
+HMDB01273	Guanosine triphosphate	C10H16N5O14P3	522.99066	http://www.hmdb.ca/metabolites/HMDB01273	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01273	Guanosine triphosphate	C10H16N5O14P3	522.99066	HMDB01273	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01273	Guanosine triphosphate	C10H16N5O14P3	522.990662	NA	HMDB2010	NA	NA
+HMDB11615	8-Oxo-dGTP	C10H16N5O14P3	522.990662	NA	HMDB2010	NA	NA
+C00044	GTP	C10H16N5O14P3	522.9907	NA	KEGG	NA	NA
+C00045	Amino acid	C2H4NO2R	522.9907	NA	KEGG	NA	NA
+C00046	RNA	C10H18O13P2R2	522.9907	NA	KEGG	NA	NA
+C06149	6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin	C11H20N5O13P3	523.027	NA	KEGG	NA	NA
+C06150	D-Inositol	C11H20N5O13P3	523.027	NA	KEGG	NA	NA
+C06151	L-Inositol	C11H20N5O13P3	523.027	NA	KEGG	NA	NA
+MJ077091	6-(3'-Triphosphoryl-1'-methylglyceryl)-7-methyl-7,8-dihydrobiopterin 	C11H20N5O13P3	523.027045	NA	MeJP	NA	NA
+MJ077092	Ceftiofur 	C19H17N5O7S3	523.029009	NA	MeJP	NA	NA
+MJ077093	Antibiotic SF 2446A1; Aglycone 	C26H21NO11	523.11146	NA	MeJP	NA	NA
+MJ077094	Chloramphenicol, Compd. with calcium pantothenate (4:1) 	C20H27Cl2N3O9	523.112434	NA	MeJP	NA	NA
+MJ077095	6-Hydroxyhexyl glucosinolate; O6-Benzoyl 	C20H29NO11S2	523.118202	NA	MeJP	NA	NA
+MJ077096	9-(Methylthio)nonyl glucosinolate; S,S-Dioxide 	C17H33NO11S3	523.121572	NA	MeJP	NA	NA
+PJ003746	GCDDD 	C17H25N5O12S	523.1221	NA	PeJP	NA	NA
+MJ077097	Idoxifene 	C28H30INO	523.137208	NA	MeJP	NA	NA
+MJ077098	4,5,6,7-Tetrahydroxydecyl glucosinolate 	C17H33NO13S2	523.139331	NA	MeJP	NA	NA
+PJ003747	SPCCD 	C18H29N5O9S2	523.1407	NA	PeJP	NA	NA
+PJ003748	GCCNQ 	C17H29N7O8S2	523.1519	NA	PeJP	NA	NA
+PJ003749	GSDDM 	C18H29N5O11S	523.1585	NA	PeJP	NA	NA
+MJ077099	Tunichrome An1; 1'Z-Isomer, 3'',3'''-dideoxy 	C26H25N3O9	523.159079	NA	MeJP	NA	NA
+MJ077100	Tunichrome An1; 3'',3'''-Dideoxy 	C26H25N3O9	523.159079	NA	MeJP	NA	NA
+PJ003750	APCCM 	C19H33N5O6S3	523.1593	NA	PeJP	NA	NA
+PJ003751	SSCNN 	C17H29N7O10S	523.1697	NA	PeJP	NA	NA
+MJ077101	Penfluridol 	C28H27ClF5NO	523.170133	NA	MeJP	NA	NA
+PJ003752	SCEW 	C22H29N5O8S	523.1737	NA	PeJP	NA	NA
+PJ003753	SSSDE 	C18H29N5O13	523.1762	NA	PeJP	NA	NA
+PJ003754	NEMM 	C19H33N5O8S2	523.1771	NA	PeJP	NA	NA
+PJ003755	CDMR 	C18H33N7O7S2	523.1883	NA	PeJP	NA	NA
+PJ003756	NDEF 	C22H29N5O10	523.1915	NA	PeJP	NA	NA
+PJ003757	GMMW 	C23H33N5O5S2	523.1923	NA	PeJP	NA	NA
+PJ003758	GSTEM 	C19H33N5O10S	523.1948	NA	PeJP	NA	NA
+PJ003759	CQHH 	C20H29N9O6S	523.1962	NA	PeJP	NA	NA
+PJ003760	NNNY 	C21H29N7O9	523.2027	NA	PeJP	NA	NA
+MJ077102	Cripowellin B 	C25H33NO11	523.20536	NA	MeJP	NA	NA
+MJ077103	Ipecosidic acid; 1-Epimer, 6-Me ether, N-de-Ac 	C25H33NO11	523.20536	NA	MeJP	NA	NA
+MJ077104	Ipecosidic acid; 1-Epimer, 7-Me ether, N-de-Ac 	C25H33NO11	523.20536	NA	MeJP	NA	NA
+MJ077105	Ipecosidic acid; 1-Epimer, N-de-Ac, Me ester 	C25H33NO11	523.20536	NA	MeJP	NA	NA
+MJ077106	Ipecosidic acid; 6-Me ether, N-de-Ac 	C25H33NO11	523.20536	NA	MeJP	NA	NA
+MJ077107	Ipecosidic acid; N-De-Ac, Me ester 	C25H33NO11	523.20536	NA	MeJP	NA	NA
+MetaCyc03773	deacetylisoipecoside []	C25H33N1O11	523.205361	NA	metacyc	NA	NA
+MetaCyc03774	deacetylipecoside []	C25H33N1O11	523.205361	NA	metacyc	NA	NA
+C07304	Deacetylisoipecoside	C25H33NO11	523.2054	NA	KEGG	NA	NA
+C07305	Products of ATP breakdown	C25H33NO11	523.2054	NA	KEGG	NA	NA
+C07307	Deacetylipecoside	C25H33NO11	523.2054	NA	KEGG	NA	NA
+PJ003761	GDFW 	C26H29N5O7	523.2067	NA	PeJP	NA	NA
+PJ003762	STMW 	C23H33N5O7S	523.2101	NA	PeJP	NA	NA
+PJ003763	SSTTE 	C19H33N5O12	523.2126	NA	PeJP	NA	NA
+PJ003764	DKMM 	C20H37N5O7S2	523.2135	NA	PeJP	NA	NA
+PJ003765	GSSHH 	C20H29N9O8	523.2139	NA	PeJP	NA	NA
+PJ003766	APPCH 	C22H33N7O6S	523.2213	NA	PeJP	NA	NA
+PJ003767	SMMR 	C19H37N7O6S2	523.2247	NA	PeJP	NA	NA
+PJ003768	VNEY 	C23H33N5O9	523.2278	NA	PeJP	NA	NA
+PJ003769	GGVEY 	C23H33N5O9	523.2279	NA	PeJP	NA	NA
+PJ003770	SSSLM 	C20H37N5O9S	523.2312	NA	PeJP	NA	NA
+MJ077108	Ostreogrycin A; 13-Deoxy, 13,14-epoxy 	C28H33N3O7	523.23185	NA	MeJP	NA	NA
+PJ003771	CKHH 	C21H33N9O5S	523.2326	NA	PeJP	NA	NA
+PJ003772	GERY 	C22H33N7O8	523.2391	NA	PeJP	NA	NA
+MJ077109	Ryanodine; 10-Epimer, 8?-hydroxy, O4-Me 	C26H37NO10	523.241746	NA	MeJP	NA	NA
+8082	synthetic peptide	RWY	523.243	inhibitor	Inhouse_peptide	NA	peptide
+PJ003773	GVYW 	C27H33N5O6	523.2431	NA	PeJP	NA	NA
+PJ003774	VQMF 	C24H37N5O6S	523.2465	NA	PeJP	NA	NA
+PJ003775	TTTTT 	C20H37N5O11	523.249	NA	PeJP	NA	NA
+PJ003776	PDHR 	C21H33N9O7	523.2503	NA	PeJP	NA	NA
+PJ003777	RYW 	C26H33N7O5	523.2543	NA	PeJP	NA	NA
+MJ077110	5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 20-Deoxy, 12-O-(2-methylaminobenzoyl), 13-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077111	5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 20-Deoxy, 12-O-(2-Methylaminobenzoyl), 13-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077112	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2-Methylaminobenzoyl), 13-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077113	Cytochalasin C; 19,20-Epoxide 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077114	Cytochalasin C; 19?,20?-Epoxide 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077115	Cytochalasin C; 5?,6?-Epoxide 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077116	Cytochalasin Q; 13?,14?-Epoxide 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077117	Cytochalasin Q; 18-Deoxy, 13?,14?;19?,20?-diepoxide 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077118	Cytochalasin Q; 19?,20?-Epoxide 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077119	Himandridine 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077120	Lathyrol; (3-Pyridinecarbonyl), di-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077121	Trideacetylpyripyropene A; 7,11-Dideoxy, 19-propanoyl, 3-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077122	Trideacetylpyripyropene A; 7,11-Dideoxy, 3-propanoyl, 19-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+MJ077123	Zygosporin D; 19?,20?-Epoxide, 21-Ac 	C30H37NO7	523.257002	NA	MeJP	NA	NA
+PJ003778	AMFR 	C23H37N7O5S	523.2577	NA	PeJP	NA	NA
+PJ003779	VDKY 	C24H37N5O8	523.2642	NA	PeJP	NA	NA
+EUR880	Lyso PE 20:4 [M+Na]+	C25H44NO7P	523.267488	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR880	Lyso PE 20:4 [M+Na]+	C25H44NO7P	523.267488	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR880	Lyso PE 20:4 [M+Na]+	C25H44NO7P	523.267488	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR880	Lyso PE 20:4 [M+Na]+	C25H44NO7P	523.267488	masses lipides attendues	Inhousejuil11	NA	NA
+C11309	Calcimycin	C29H37N3O6	523.2682	NA	KEGG	NA	NA
+MJ077124	Calcimycin 	C29H37N3O6	523.268235	NA	MeJP	NA	NA
+MJ077125	Yakusimycin A 	C29H37N3O6	523.268235	NA	MeJP	NA	NA
+PJ003780	SVRY 	C23H37N7O7	523.2755	NA	PeJP	NA	NA
+MJ077126	Antibiotic FR 901465 	C27H41NO9	523.278131	NA	MeJP	NA	NA
+MJ077127	Talitine C 	C27H41NO9	523.278131	NA	MeJP	NA	NA
+PJ003781	VKMF 	C25H41N5O5S	523.2829	NA	PeJP	NA	NA
+MJ077128	Butirosin A; 3',4'-Dideoxy 	C21H41N5O10	523.285342	NA	MeJP	NA	NA
+EUR847	Lyso PE 18:2 [M+FA-H]-	C23H44NO7P	523.290422	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR847	Lyso PE 18:2 [M+FA-H]-	C23H44NO7P	523.290422	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR847	Lyso PE 18:2 [M+FA-H]-	C23H44NO7P	523.290422	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR847	Lyso PE 18:2 [M+FA-H]-	C23H44NO7P	523.290422	masses lipides attendues	Inhousejuil11	NA	NA
+MJ077129	Aconosine; 14-Benzoyl, 8-Ac 	C31H41NO6	523.293388	NA	MeJP	NA	NA
+MJ077130	Franchetine 	C31H41NO6	523.293388	NA	MeJP	NA	NA
+MJ077131	Zygosporin D; 4'-Methoxy, 17-deoxo, 21-Ac 	C31H41NO6	523.293388	NA	MeJP	NA	NA
+MJ077132	Broussonetinine A; 4-Epimer, 1'R-hydroxy, 10'-deoxo, 9'-oxo, 13'-O-?-D-glucopyranoside 	C24H45NO11	523.299261	NA	MeJP	NA	NA
+MJ077133	Broussonetinine A; 4-Epimer, 1'R-hydroxy, 13'-O-?-D-glucopyranoside 	C24H45NO11	523.299261	NA	MeJP	NA	NA
+PJ003782	TLKY 	C25H41N5O7	523.3006	NA	PeJP	NA	NA
+MJ077134	Alangamide 	C30H41N3O5	523.304621	NA	MeJP	NA	NA
+PJ003783	AALLH 	C24H41N7O6	523.3119	NA	PeJP	NA	NA
+MJ077135	Deltatsine; O1-Me, 14-Ac 	C28H45NO8	523.314517	NA	MeJP	NA	NA
+MJ077136	Deltatsine; O7-Me, 14-Ac 	C28H45NO8	523.314517	NA	MeJP	NA	NA
+PJ003784	VLHR 	C23H41N9O5	523.3231	NA	PeJP	NA	NA
+PJ003785	PPVVL 	C26H45N5O6	523.337	NA	PeJP	NA	NA
+HMDB10384	LysoPC(18:0)	C26H54NO7P	523.36377	NA	HMDB2010	NA	NA
+HMDB11128	LysoPC(0:0/18:0)	C26H54NO7P	523.36377	NA	HMDB2010	NA	NA
+MJ077137	1-O-Hexadecylglycero-3-phosphocholine, 2-Ac 	C26H54NO7P	523.363789	NA	MeJP	NA	NA
+EUR669	Lyso PC 18:0 monoisotopic mass 	C26H54NO7P	523.363792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR891	Lyso PE 22:0 [M-H-CH3]-	C27H56NO7P	523.363792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR669	Lyso PC 18:0 monoisotopic mass 	C26H54NO7P	523.363792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR891	Lyso PE 22:0 [M-H-CH3]-	C27H56NO7P	523.363792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR669	Lyso PC 18:0 monoisotopic mass 	C26H54NO7P	523.363792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR891	Lyso PE 22:0 [M-H-CH3]-	C27H56NO7P	523.363792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR669	Lyso PC 18:0 monoisotopic mass 	C26H54NO7P	523.363792	masses lipides attendues	Inhousejuil11	NA	NA
+EUR891	Lyso PE 22:0 [M-H-CH3]-	C27H56NO7P	523.363792	masses lipides attendues	Inhousejuil11	NA	NA
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR597	LysoPC(18:0)	[M+H]+	523.364175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR597	LysoPC(18:0)	[M+H]+	523.364175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR597	LysoPC(18:0)	[M+H]+	523.364175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR597	LysoPC(18:0)	NA	523.364175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR597	LysoPC(18:0)	[M+H]+	523.364175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR597	LysoPC(18:0)	NA	523.364175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ077138	Niphatoxin B 	C36H50N3(+)	523.392648	NA	MeJP	NA	NA
+MJ077139	Edelfosine 	C27H58NO6P	523.400175	NA	MeJP	NA	NA
+MJ077140	Rhodopeptin; Rhodopeptin B5 	C28H53N5O4	523.409755	NA	MeJP	NA	NA
+MJ077141	2-Amino-4-octadecene-1,3-diol, N-Pentadecanoyl 	C33H65NO3	523.496444	NA	MeJP	NA	NA
+MJ077142	2-Amino-9-octadecene-1,3-diol; N-Pentadecanoyl 	C33H65NO3	523.496444	NA	MeJP	NA	NA
+7401	celiac sprue gluten epitope found in secalin	PQPQQQLPL	523.778	MH2+	Inhouse_peptide	NA	peptide
+2585	tenecin-1 (33-43)	YCNGKRVCVCRG	523.7899	MH2+	Inhouse_peptide	NA	peptide
+7687	ACE inhibitor from ovalbumin	ERKIKVYL	523.815	MH2+	Inhouse_peptide	NA	peptide
+MJ077143	Molybdenum cofactor 	C10H13MoN5O8PS2	523.899723	NA	MeJP	NA	NA
+C16617	6-Mercaptopurine ribonucleoside triphosphate	C10H15N4O13P3S	523.9569	NA	KEGG	NA	NA
+MJ077144	Securamine A; 16-Bromo 	C20H19Br2ClN4O	523.961414	NA	MeJP	NA	NA
+HMDB00293	Xanthosine 5-triphosphate	C10H15N4O15P3	523.97467	http://www.hmdb.ca/metabolites/HMDB00293	HMDB	NA	NA
+HMDB00293	Xanthosine 5-triphosphate	C10H15N4O15P3	523.97467	HMDB00293	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00293	Xanthosine 5-triphosphate	C10H15N4O15P3	523.97467	NA	HMDB2010	NA	NA
+MJ077145	XTP 	C10H15N4O15P3	523.974675	NA	MeJP	NA	NA
+MetaCyc03775	XTP []	C10H15N4O15P3	523.974675	NA	metacyc	NA	NA
+C00700	XTP	C10H15N4O15P3	523.9747	NA	KEGG	NA	NA
+C00701	Base	C10H15N4O15P3	523.9747	NA	KEGG	NA	NA
+MJ077146	Isoplagiochin C; 6',8',10'-Trichloro 	C28H19Cl3O4	524.034892	NA	MeJP	NA	NA
+MJ077147	Isoplagiochin C; 6',8',12-Trichloro 	C28H19Cl3O4	524.034892	NA	MeJP	NA	NA
+MJ077148	Bidimazium(1+); Iodide 	C26H25IN2S	524.078312	NA	MeJP	NA	NA
+MJ077149	Falconensin A; 8-Ac 	C25H26Cl2O8	524.100473	NA	MeJP	NA	NA
+MJ077150	Leptosin E 	C25H24N4O3S3	524.101052	NA	MeJP	NA	NA
+MJ077151	1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 10-Oxo, 11-hydroxy 	C30H20O9	524.110732	NA	MeJP	NA	NA
+MJ077152	1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 10-Oxo, 5-hydroxy 	C30H20O9	524.110732	NA	MeJP	NA	NA
+MJ077153	Calodenin B 	C30H20O9	524.110732	NA	MeJP	NA	NA
+MJ077154	Rheidin A 	C30H20O9	524.110732	NA	MeJP	NA	NA
+MJ077155	Sennidin, 1''-Alcohol 	C30H20O9	524.110732	NA	MeJP	NA	NA
+MJ077156	Urundeuvina A; 1,2-Didehydro 	C30H20O9	524.110732	NA	MeJP	NA	NA
+FL5FELGS0004	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3,6-dimethoxy-2-(2,3,4-trihydroxyphenyl)-4H-1-benzopyran-4-one	C23H24O14	524.1166	349152-35-8	knapsack	NA	NA
+MJ077157	3,3',4',5,5',6,7-Heptahydroxyflavone; 6,7-Di-Me ether, 3-O-?-D-galactopyranoside 	C23H24O14	524.116605	NA	MeJP	NA	NA
+MJ077158	8-Methoxychlorotetracycline; 4a?-Hydroxy, 6-epimer 	C23H25ClN2O10	524.119772	NA	MeJP	NA	NA
+MJ077159	3',4,4',5,7-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9',9-olide; 3',4':4,5-Bis(methylene) ether, 7-O-(3,4-di-O-methyl-?-D-xylopyranoside) 	C27H24O11	524.131861	NA	MeJP	NA	NA
+MJ077160	Anthoceratonic acid 	C27H24O11	524.131861	NA	MeJP	NA	NA
+MJ077161	Mayoside 	C27H24O11	524.131861	NA	MeJP	NA	NA
+PJ003786	GCCNE 	C17H28N6O9S2	524.1359	NA	PeJP	NA	NA
+PJ003787	GGGCCE 	C17H28N6O9S2	524.136	NA	PeJP	NA	NA
+MJ077162	2-(Nitrooxy)propyl 3-(nitrooxy)propyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate 	C21H24N4O12	524.139072	NA	MeJP	NA	NA
+MJ077163	Kinamycin F; 3-O-(2-Methylpropanoyl), 2,4-di-Ac 	C26H24N2O10	524.143094	NA	MeJP	NA	NA
+MJ077164	Kinamycin F; 4-O-(2-Methylpropanoyl), 1,2-di-Ac 	C26H24N2O10	524.143094	NA	MeJP	NA	NA
+MJ077165	1,4',5',8,9'-Pentahydroxy-2',6-dimethyl[2,9'-bianthracene]-9,10'(9'H,10H)-dione; 3-Methoxy 	C31H24O8	524.147117	NA	MeJP	NA	NA
+MJ077166	Lophirone A; 4''-Me ether 	C31H24O8	524.147117	NA	MeJP	NA	NA
+PJ003788	CCNW 	C21H28N6O6S2	524.1512	NA	PeJP	NA	NA
+MJ077167	3,3',4',5,7,8-Hexahydroxyflavan, 5-Me ether, 3-Ac, 8-O-?-D-glucopyranoside 	C24H28O13	524.15299	NA	MeJP	NA	NA
+MJ077168	Arbutin; 2-O-[(4-Hydroxybenzoyl)-(?5)-?-D-apiofuranosyl] 	C24H28O13	524.15299	NA	MeJP	NA	NA
+MJ077169	Catalpol; 10-O-(3,4-Dihydroxy-E-cinnamoyl) 	C24H28O13	524.15299	NA	MeJP	NA	NA
+MJ077170	Catalpol; 6-O-(3,4-Dihydroxycinnamoyl) 	C24H28O13	524.15299	NA	MeJP	NA	NA
+FL63FCGS0001	Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside	C24H28O13	524.15299	342643-67-8	knapsack	NA	NA
+PJ003789	SSCND 	C17H28N6O11S	524.1537	NA	PeJP	NA	NA
+PJ003790	DEMM 	C19H32N4O9S2	524.1611	NA	PeJP	NA	NA
+MJ077171	2,5-Dihydroxybenzyl 2-(benzoylmethyl)benzoate; 2'-O-?-D-Glucopyranoside 	C28H28O10	524.168247	NA	MeJP	NA	NA
+MJ077172	Aloesin; 2'-O-Cinnamoyl 	C28H28O10	524.168247	NA	MeJP	NA	NA
+MJ077173	Colletotric acid 	C28H28O10	524.168247	NA	MeJP	NA	NA
+MJ077174	Gyrophoric acid; 2',2'',4-Tri-Me ether, Me ester 	C28H28O10	524.168247	NA	MeJP	NA	NA
+PJ003791	GSCQM 	C18H32N6O8S2	524.1723	NA	PeJP	NA	NA
+MJ077175	Unonopsine 	C34H24N2O4	524.173607	NA	MeJP	NA	NA
+MJ077176	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, tetra-Ac 	C21H32O15	524.17412	NA	MeJP	NA	NA
+MJ077177	Antirrhinoside; 5-O-Allopyranoside 	C21H32O15	524.17412	NA	MeJP	NA	NA
+MJ077178	Catalpol; 6'-?-D-Galactopyranosyl 	C21H32O15	524.17412	NA	MeJP	NA	NA
+MJ077179	Catalpol; 6-O-?-D-Galactopyranoside 	C21H32O15	524.17412	NA	MeJP	NA	NA
+MJ077180	Decaloside; 7?,8?-Epoxide, 11-O-?-D-alloside 	C21H32O15	524.17412	NA	MeJP	NA	NA
+MJ077181	Decaloside; 7?,8?-Epoxide, 11-O-?-D-glucopyranoside 	C21H32O15	524.17412	NA	MeJP	NA	NA
+MJ077182	Monomelittoside; 5-O-?-D-Glucopyranoside 	C21H32O15	524.17412	NA	MeJP	NA	NA
+PJ003792	DDEF 	C22H28N4O11	524.1755	NA	PeJP	NA	NA
+MJ077183	15-Bromo-9(11)-parguerene-2,7,16-triol, Tri-Ac 	C26H37BrO6	524.177351	NA	MeJP	NA	NA
+PJ003793	CEHH 	C20H28N8O7S	524.1802	NA	PeJP	NA	NA
+MJ077184	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 2,9,12-Tri-Ac 	C26H33ClO9	524.18131	NA	MeJP	NA	NA
+MJ077185	6-Chloro-2,8,9,14-tetrahydroxy-3,5(16),11(20)-briaratrien-18,7-olide, 2,9,14-Tri-Ac 	C26H33ClO9	524.18131	NA	MeJP	NA	NA
+MJ077186	Daljanelin D 	C32H28O7	524.183503	NA	MeJP	NA	NA
+MJ077187	Xanthorrhone 	C32H28O7	524.183503	NA	MeJP	NA	NA
+PJ003794	GSCCR 	C17H32N8O7S2	524.1836	NA	PeJP	NA	NA
+MJ077188	Nikkomycin ZH 	C21H28N6O10	524.186691	NA	MeJP	NA	NA
+PJ003795	NNDY 	C21H28N6O10	524.1867	NA	PeJP	NA	NA
+MJ077189	N-[[4'-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl][1,1'-biphenyl]-2-yl]sulfonyl]benzamide 	C30H28N4O3S	524.188211	NA	MeJP	NA	NA
+MJ077190	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 2'-O-De-Me, 9'-O-?-D-glucopyranoside 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077191	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 7-Epimer, 2'-O-de-Me, 9'-O-?-D-glucopyranoside 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077192	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 11?,13-Dihydro, 8-(3S-acetoxy-2R-hydroxy-2-methylbutanoyl), 9-Ac, Me ester 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077193	2-Acetyl-3-methyl-1,8-naphthalenediol; 8-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077194	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-Ac, Me ester 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077195	Ajugol; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077196	Ajugol; 6-O-(4-Hydroxy-3-methoxy-Z-cinnamoyl) 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077197	Arcusangeloside 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077198	Excelsioside 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077199	Gibberellin A49; 12-Ketone, 3-O-?-D-glucopyranoside 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077200	Iridolinarin C 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077201	Isoligustrosidic acid; Me ester 	C25H32O12	524.189376	NA	MeJP	NA	NA
+MJ077202	Oleuropein; 3''-Deoxy 	C25H32O12	524.189376	NA	MeJP	NA	NA
+PJ003796	SSSNM 	C18H32N6O10S	524.1901	NA	PeJP	NA	NA
+PJ003797	PDMY 	C23H32N4O8S	524.1941	NA	PeJP	NA	NA
+MJ077203	Aglaiastatin; 5a''',N6'''-Didehydro 	C31H28N2O6	524.194736	NA	MeJP	NA	NA
+MJ077204	8,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide, 8-(3,4-Dimethoxybenzoyl), 11-(3-methyl-2-butenoyl) 	C29H32O9	524.204632	NA	MeJP	NA	NA
+MJ077205	9,11-Dihydroxy-2-oxo-1(10),3-guaiadien-12,6-olide; 8-(3,4-Dimethoxybenzoyl),11-angeloyl 	C29H32O9	524.204632	NA	MeJP	NA	NA
+PJ003798	NNMF 	C22H32N6O7S	524.2053	NA	PeJP	NA	NA
+PJ003799	GGGGMF 	C22H32N6O7S	524.2054	NA	PeJP	NA	NA
+PJ003800	GSSSST 	C18H32N6O12	524.2078	NA	PeJP	NA	NA
+MJ077206	Bufotalin; 3-Sulphate 	C26H36O9S	524.208003	NA	MeJP	NA	NA
+PJ003801	GSCKM 	C19H36N6O7S2	524.2087	NA	PeJP	NA	NA
+PJ003802	VDEY 	C23H32N4O10	524.2119	NA	PeJP	NA	NA
+PJ003803	PMMF 	C24H36N4O5S2	524.2127	NA	PeJP	NA	NA
+PJ003804	LMMM 	C21H40N4O5S3	524.2161	NA	PeJP	NA	NA
+PJ003805	TMHH 	C21H32N8O6S	524.2166	NA	PeJP	NA	NA
+7815	ACE inhibitor from chickpea legumin	MFDL	524.2193	antibacterial	Inhouse_peptide	NA	peptide
+PJ003806	SQQY 	C22H32N6O9	524.2231	NA	PeJP	NA	NA
+MJ077207	12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 7,9,10-Tri-Ac 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077208	2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 11?,20-Epoxide, 2,9,14-tri-Ac 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077209	2,8,9,11,14-Pentahydroxy-12-oxo-5-briaren-18,7-olide, 2,9,14-Tri-Ac 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077210	2,8,9,14,16-Pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,14,16-tri-Ac 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077211	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-L-rhamnopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077212	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylbutanoyl), 3-O-?-D-glucopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077213	4,4',9'-Trihydroxy-3,5'-dimethoxy-8,3'-neolignan, 4'-O-?-D-Glucopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077214	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3,9,14-Tri-Ac 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077215	8,17-Epoxy-2,9,11,12,14-pentahydroxy-5-briaren-18,7-olide, 2,9,14-Tri-Ac 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077216	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(3-hydroxy-2-methylbutanoyl), Me ester(1) 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077217	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Dihydroxy-2-methylbutanoyl), 9-(3-hydroxy-2-methylbutanoyl), Me ester(2) 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077218	Crepiside C; 8-(2-Hydroxy-3-methylbutanoyl) 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077219	Gibberellin A27; 3-O-?-D-Glucopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077220	Gibberellin A44; 3?-Hydroxy, ?-D-glucopyranosyl ester 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077221	Mascarol; 17-O-?-D-Glucopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077222	Ovatuside; 8'-Aldehyde 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077223	Secoisolariciresinol, 4-O-?-D-Glucopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+MJ077224	Secoisolariciresinol, 9-O-?-D-Glucopyranoside 	C26H36O11	524.225761	NA	MeJP	NA	NA
+C09132	Mascaroside	C26H36O11	524.2258	NA	KEGG	NA	NA
+PJ003807	SSTCK 	C19H36N6O9S	524.2265	NA	PeJP	NA	NA
+PJ003808	PDFF 	C27H32N4O7	524.2271	NA	PeJP	NA	NA
+PJ003809	VEMF 	C24H36N4O7S	524.2305	NA	PeJP	NA	NA
+MJ077225	Elgodipine 	C29H33FN2O6	524.232265	NA	MeJP	NA	NA
+PJ003810	GSPQH 	C21H32N8O8	524.2343	NA	PeJP	NA	NA
+MJ077226	Artelein 	C30H36O8	524.241018	NA	MeJP	NA	NA
+MJ077227	Nimbocinol; 6?-Acetoxy, 14?,15?-epoxide, 7-Ac 	C30H36O8	524.241018	NA	MeJP	NA	NA
+MJ077228	Nimbocinol; 6?-Acetoxy, 17?-hydroxy, 7-Ac 	C30H36O8	524.241018	NA	MeJP	NA	NA
+MJ077229	Pungiolide A; 1'?,5'?-Epoxide 	C30H36O8	524.241018	NA	MeJP	NA	NA
+PJ003811	CQKF 	C23H36N6O6S	524.2417	NA	PeJP	NA	NA
+PJ003812	TLEY 	C24H36N4O9	524.2482	NA	PeJP	NA	NA
+2864	NA	YPFV	524.251	antibacterial	Inhouse_peptide	NA	peptide
+MJ077230	Gelsamydine; 19-Epimer, 19-hydroxy 	C29H36N2O7	524.252251	NA	MeJP	NA	NA
+PJ003813	SQKY 	C23H36N6O8	524.2595	NA	PeJP	NA	NA
+MJ077231	2,3,6,7,11,17-Hexahydroxy-15-kauranone, 17-Me ether, 3,6,11-tri-Ac 	C27H40O10	524.262147	NA	MeJP	NA	NA
+MJ077232	4,18-Epoxy-6,7,8,11,19-pentahydroxy-13-cleroden-15,16-olide, 6-(2-Methylbutanoyl), 11-Ac 	C27H40O10	524.262147	NA	MeJP	NA	NA
+MJ077233	4,18-Epoxy-6,7,8,11,19-pentahydroxy-13-cleroden-15,16-olide, 7-(2-Methylbutanoyl), 11-Ac 	C27H40O10	524.262147	NA	MeJP	NA	NA
+MJ077234	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 3-propanoyl, 6,19-di-Ac 	C27H40O10	524.262147	NA	MeJP	NA	NA
+MJ077235	4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 15-Me ether, 3,6,19-tri-Ac 	C27H40O10	524.262147	NA	MeJP	NA	NA
+MJ077236	Safracin A 	C28H36N4O6	524.263484	NA	MeJP	NA	NA
+PJ003814	PVFY 	C28H36N4O6	524.2635	NA	PeJP	NA	NA
+PJ003815	VLMY 	C25H40N4O6S	524.2669	NA	PeJP	NA	NA
+PJ003816	GSPKH 	C22H36N8O7	524.2707	NA	PeJP	NA	NA
+8333	f(21-29) of alpha S1 casein	IKHQGLPQE	524.2755	MH2+	Inhouse_peptide	NA	peptide
+PJ003817	CKKF 	C24H40N6O5S	524.2781	NA	PeJP	NA	NA
+MJ077237	Okaramine C 	C32H36N4O3	524.278741	NA	MeJP	NA	NA
+MJ077238	Okaramine J 	C32H36N4O3	524.278741	NA	MeJP	NA	NA
+MJ077239	Asterasterol A 	C28H44O7S	524.280774	NA	MeJP	NA	NA
+PJ003818	VNHR 	C21H36N10O6	524.282	NA	PeJP	NA	NA
+MJ077240	Aburatubolactam B 	C30H40N2O6	524.288637	NA	MeJP	NA	NA
+MJ077241	Crocacin A; Parent acid 	C30H40N2O6	524.288637	NA	MeJP	NA	NA
+PJ003819	GHRR 	C20H36N12O5	524.2932	NA	PeJP	NA	NA
+PJ003820	SKKY 	C24H40N6O7	524.2959	NA	PeJP	NA	NA
+MJ077242	14-Labdene-6,8,12,13,20-pentol, 6,8,12,20-Tetra-Ac 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077243	16-Kaurene-6,15,20-triol, 6-O-(6-Acetyl-?-D-glucopyranoside) 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077244	2,3,14,20,22,25-Hexahydroxy-6-oxocholest-7-en-26-oic acid, Me ester 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077245	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 2-Ac, 16-(3-hydroxy-3-methylglutaryl) 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077246	Cotylenin E; 3'-Ketone 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077247	Soraphen A; 12,13-Dihydro, 12?-hydroxy, 10-O-de-Me 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077248	Soraphen A; 12,13-Dihydro, 13?-hydroxy, 11-O-de-Me 	C28H44O9	524.298533	NA	MeJP	NA	NA
+MJ077249	Xyloallenolide A 	C29H40N4O5	524.29987	NA	MeJP	NA	NA
+PJ003821	VLFF 	C29H40N4O5	524.2999	NA	PeJP	NA	NA
+HMDB03577	VPGPR Enterostatin	C23H40N8O6	524.307068	NA	HMDB2010	NA	NA
+HMDB03577	VPGPR Enterostatin	C23H40N8O6	524.30707	http://www.hmdb.ca/metabolites/HMDB03577	HMDB	NA	NA
+HMDB03577	VPGPR Enterostatin	C23H40N8O6	524.30707	HMDB03577	PFEM_hmdb_metabocards_official	NA	NA
+PJ003822	GPPVR 	C23H40N8O6	524.3071	NA	PeJP	NA	NA
+MJ077250	Deacylbengazole C; O10-(12-Methyltridecanoyl) 	C27H44N2O8	524.309766	NA	MeJP	NA	NA
+MJ077251	Deacylbengazole C; O10-Tetradecanoyl 	C27H44N2O8	524.309766	NA	MeJP	NA	NA
+MJ077252	Bisacutifolone A; 10'-Deoxy 	C32H44O6	524.313789	NA	MeJP	NA	NA
+MJ077253	Pseudophrynamine A; N8-Me, didehydro 	C33H40N4O2	524.315126	NA	MeJP	NA	NA
+PJ003823	PPRR 	C22H40N10O5	524.3183	NA	PeJP	NA	NA
+3742	NA	PKAIP	524.319	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ003824	APPLK 	C25H44N6O6	524.3323	NA	PeJP	NA	NA
+MJ077254	Cholest-7-ene-2,3,5,6,9,11,19-heptol, 11-Ac 	C29H48O8	524.334918	NA	MeJP	NA	NA
+PJ003825	LKKH 	C24H44N8O5	524.3435	NA	PeJP	NA	NA
+MJ077255	3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ketone, 16-Ac 	C33H48O5	524.350174	NA	MeJP	NA	NA
+MJ077256	Lanosta-7,9(11),24-triene-3,21-diol, 3-Ketone, 21-malonyl 	C33H48O5	524.350174	NA	MeJP	NA	NA
+MJ077257	Leptofuranin B; 24-Aldehyde 	C33H48O5	524.350174	NA	MeJP	NA	NA
+MJ077258	Morinin A; 5'-(9,12-Octadecadienoyloxy)(Z,Z-) 	C33H48O5	524.350174	NA	MeJP	NA	NA
+MJ077259	3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-benzoyl, 4-Ac 	C32H48N2O4	524.361408	NA	MeJP	NA	NA
+MJ077260	Culantraraminol, N-Oxide 	C32H48N2O4	524.361408	NA	MeJP	NA	NA
+MJ077261	Berteric acid 	C30H52O7	524.371304	NA	MeJP	NA	NA
+MJ077262	Cubensic acid 	C30H52O7	524.371304	NA	MeJP	NA	NA
+MJ077263	Ergostane-1,3,5,6,18,25-hexol, 25-Ac 	C30H52O7	524.371304	NA	MeJP	NA	NA
+MJ077264	Glabrescol 	C30H52O7	524.371304	NA	MeJP	NA	NA
+MJ077265	4,15,26-Triacontatriene-1,29-diyne-3,28-diol; Di-Ac 	C34H52O4	524.38656	NA	MeJP	NA	NA
+MJ077266	Flavidulol A; Octadecanoyl 	C35H56O3	524.422945	NA	MeJP	NA	NA
+MJ077267	4-Amino-1,13-diguanidino-5-tridecanone; N4-(9-Guanidinononanoyl) 	C25H52N10O2	524.42747	NA	MeJP	NA	NA
+HMDB07039	DG(14:1(9Z)/15:0/0:0)	C32H60O5	524.444092	NA	HMDB2010	NA	NA
+HMDB07067	DG(15:0/14:1(9Z)/0:0)	C32H60O5	524.444092	NA	HMDB2010	NA	NA
+EUR087	Retinyl palmitate	C36H60O2	524.4593	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR087	Retinyl palmitate	C36H60O2	524.4593	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR087	Retinyl palmitate	C36H60O2	524.4593	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR087	Retinyl palmitate	C36H60O2	524.4593	Wishlist	Inhousejuil11	NA	NA
+C02588	Retinyl palmitate	C36H60O2	524.4593	NA	KEGG	NA	NA
+C02589	S-Acylglutathione	C11H16N3O7SR	524.4593	NA	KEGG	NA	NA
+C03455	11-cis-Retinyl palmitate	C36H60O2	524.4593	NA	KEGG	NA	NA
+C03456	2''-Nucleotidylkanamycin	C23H44N4O17PR	524.4593	NA	KEGG	NA	NA
+C03457	2''-Nucleotidylsisomicin	C24H45N5O13PR	524.4593	NA	KEGG	NA	NA
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	HMDB	NA	NA
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	Inhouse_PFEM	NA	NA
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR087	Retinyl palmitate	C36H60O2	524.45933	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ077268	12-Oleanen-3-ol, O-Hexanoyl 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077269	12-Ursen-3-ol, Hexanoyl 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077270	20(29)-Lupen-3-ol, Hexanoyl 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077271	23-Isopropyl-24-methylcycloart-25-en-3-ol, Ac 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077272	24-Methylcycloartan-3-ol, Tigloyl 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077273	Retinol; Hexadecanoyl 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077274	11-cis-Retinyl palmitate 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MJ077275	Retinyl palmitate 	C36H60O2	524.459331	NA	MeJP	NA	NA
+MetaCyc03776	retinol-palmitate [retinyl palmitate;chocola A;aquasol A;vitamin A palmitate;all-trans-Retinyl palmitate;]	C36H60O2	524.459331	79-81-2	metacyc	NA	NA
+MetaCyc03777	11-cis-Retinyl palmitate []	C36H60O2	524.459331	NA	metacyc	NA	NA
+HMDB03648	Retinyl palmitate	C36H60O2	524.45935	http://www.hmdb.ca/metabolites/HMDB03648	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03648	Retinyl palmitate	C36H60O2	524.45935	http://www.hmdb.ca/metabolites/HMDB03648	HMDB	NA	NA
+HMDB03648	Retinyl palmitate	C36H60O2	524.45935	http://www.hmdb.ca/metabolites/HMDB03648	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03648	Retinyl palmitate	C36H60O2	524.45935	HMDB03648	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03648	Retinyl palmitate	C36H60O2	524.459351	NA	HMDB2010	NA	NA
+MJ077276	Tryptamine; Nb-Pentacosanoyl 	C35H60N2O	524.470564	NA	MeJP	NA	NA
+MJ077277	Budmunchiamine K; 6'-Hydroxy 	C31H64N4O2	524.502927	NA	MeJP	NA	NA
+MJ077278	25-Methyl-21-tritriacontene-1,9,11-triol 	C34H68O3	524.516846	NA	MeJP	NA	NA
+MJ077279	6,8-Pentatriacontanediol 	C35H72O2	524.553231	NA	MeJP	NA	NA
+MJ077280	8,10-Pentatriacontanediol 	C35H72O2	524.553231	NA	MeJP	NA	NA
+7812	ACE inhibitor from blue mussel	EVMAGNYLPG	524.73565	MH2+	Inhouse_peptide	NA	peptide
+8176	peptide derived from ovine colostral whey	VESYVPLFP	524.7645	MH2+	Inhouse_peptide	NA	peptide
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	524.89337	http://www.hmdb.ca/metabolites/HMDB00582	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	524.89337	http://www.hmdb.ca/metabolites/HMDB00582	HMDB	NA	NA
+HMDB00627	3,5-Diiodo-L-thyronine	C15H13I2NO4	524.89337	http://www.hmdb.ca/metabolites/HMDB00627	HMDB	NA	NA
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	524.89337	http://www.hmdb.ca/metabolites/HMDB00582	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	524.89337	HMDB00582	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00627	3,5-Diiodo-L-thyronine	C15H13I2NO4	524.89337	HMDB00627	PFEM_hmdb_metabocards_official	NA	NA
+MJ077281	3,3'-Diiodothyronine 	C15H13I2NO4	524.893394	NA	MeJP	NA	NA
+MJ077282	3,5-Diiodothyronine 	C15H13I2NO4	524.893394	NA	MeJP	NA	NA
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	524.89343	Polypeptides  ;SYN:Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2H2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00582	3,5-Diiodothyronine	C15H13I2NO4	524.893433	NA	HMDB2010	NA	NA
+HMDB05869	3,3'-Diiodothyronine	C15H13I2NO4	524.893433	NA	HMDB2010	NA	NA
+MJ077283	Cefotiam 	C18H23N9O4S3	525.103512	NA	MeJP	NA	NA
+PJ003826	GCCDE 	C17H27N5O10S2	525.12	NA	PeJP	NA	NA
+PJ003827	CCDW 	C21H27N5O7S2	525.1352	NA	PeJP	NA	NA
+PJ003828	SSCDD 	C17H27N5O12S	525.1377	NA	PeJP	NA	NA
+PJ003829	PTCCC 	C18H31N5O7S3	525.1386	NA	PeJP	NA	NA
+PJ003830	GSCEM 	C18H31N5O9S2	525.1563	NA	PeJP	NA	NA
+PJ003831	NDDY 	C21H27N5O11	525.1707	NA	PeJP	NA	NA
+PJ003832	SCMW 	C22H31N5O6S2	525.1716	NA	PeJP	NA	NA
+PJ003833	SSSDM 	C18H31N5O11S	525.1741	NA	PeJP	NA	NA
+PJ003834	NMMM 	C19H35N5O6S3	525.175	NA	PeJP	NA	NA
+PJ003835	GSPCY 	C22H31N5O8S	525.1894	NA	PeJP	NA	NA
+PJ003836	GSTMM 	C19H35N5O8S2	525.1927	NA	PeJP	NA	NA
+MJ077284	Stephuline; 6-(3-Hydroxy-4-methoxycinnamoyl), O3-De-Me 	C28H31NO9	525.199881	NA	MeJP	NA	NA
+PJ003837	ACFW 	C26H31N5O5S	525.2046	NA	PeJP	NA	NA
+PJ003838	SQEY 	C22H31N5O10	525.2071	NA	PeJP	NA	NA
+PJ003839	SSTTM 	C19H35N5O10S	525.2105	NA	PeJP	NA	NA
+PJ003840	GSPEH 	C21H31N7O9	525.2184	NA	PeJP	NA	NA
+PJ003841	GTYW 	C26H31N5O7	525.2224	NA	PeJP	NA	NA
+PJ003842	VNMY 	C23H35N5O7S	525.2257	NA	PeJP	NA	NA
+MJ077285	Flosatidil 	C26H34F3N3O3S	525.227297	NA	MeJP	NA	NA
+PJ003843	NQQH 	C20H31N9O8	525.2296	NA	PeJP	NA	NA
+PJ003844	SPHW 	C25H31N7O6	525.2336	NA	PeJP	NA	NA
+MJ077286	Cytochalasin E; 4'-Methoxy 	C29H35NO8	525.236267	NA	MeJP	NA	NA
+PJ003845	GMRY 	C22H35N7O6S	525.237	NA	PeJP	NA	NA
+PJ003846	SKEY 	C23H35N5O9	525.2435	NA	PeJP	NA	NA
+C11299	Virginiamycin M1	C28H35N3O7	525.2475	NA	KEGG	NA	NA
+MJ077287	Ostreogrycin A 	C28H35N3O7	525.2475	NA	MeJP	NA	NA
+PJ003847	STRY 	C22H35N7O8	525.2547	NA	PeJP	NA	NA
+PJ003848	VNFF 	C27H35N5O6	525.2588	NA	PeJP	NA	NA
+PJ003849	CLKY 	C24H39N5O6S	525.2621	NA	PeJP	NA	NA
+C03154	N6'-Acetylkanamycin-B	C20H39N5O11	525.2646	NA	KEGG	NA	NA
+MJ077288	Kanamycin B; N-Ac 	C20H39N5O11	525.264607	NA	MeJP	NA	NA
+MetaCyc03778	N6'-acetylkanamycin-B []	C20H39N5O11	525.264607	NA	metacyc	NA	NA
+PJ003850	VDHR 	C21H35N9O7	525.266	NA	PeJP	NA	NA
+7349	celiac sprue gluten epitope found in omega-gliadin	PFPQPQQPI	525.267	MH2+	Inhouse_peptide	NA	peptide
+7350	celiac sprue gluten epitope found in omega-gliadin	PQPQLPFPQ	525.267	MH2+	Inhouse_peptide	NA	peptide
+7357	celiac sprue gluten epitope found in hordein	PFPQQPIPQ	525.267	MH2+	Inhouse_peptide	NA	peptide
+7361	celiac sprue gluten epitope found in hordein	PLPQPQQPF	525.267	MH2+	Inhouse_peptide	NA	peptide
+7363	celiac sprue gluten epitope found in hordein	PQPFPQQPI	525.267	MH2+	Inhouse_peptide	NA	peptide
+PJ003851	ALHW 	C26H35N7O5	525.27	NA	PeJP	NA	NA
+MJ077289	Cytochalasin O 	C30H39NO7	525.272652	NA	MeJP	NA	NA
+MJ077290	Gadesine; O14-Benzoyl 	C30H39NO7	525.272652	NA	MeJP	NA	NA
+MJ077291	Isodesmosine 	C24H39N5O8	525.279863	NA	MeJP	NA	NA
+MJ077292	Desmosine 	C24H40N5O8(+)	525.279863	NA	MeJP	NA	NA
+PJ003852	APPLE 	C24H39N5O8	525.2799	NA	PeJP	NA	NA
+EUR875	Lyso PE 20:3 [M+Na]+	C25H46NO7P	525.283138	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR875	Lyso PE 20:3 [M+Na]+	C25H46NO7P	525.283138	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR875	Lyso PE 20:3 [M+Na]+	C25H46NO7P	525.283138	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR875	Lyso PE 20:3 [M+Na]+	C25H46NO7P	525.283138	masses lipides attendues	Inhousejuil11	NA	NA
+MJ077293	Tyrostatin 	C29H39N3O6	525.283885	NA	MeJP	NA	NA
+HMDB11496	LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C27H44NO7P	525.285522	NA	HMDB2010	NA	NA
+HMDB11526	LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C27H44NO7P	525.285522	NA	HMDB2010	NA	NA
+EUR914	Lyso PE 22:6 monoisotopic mass 	C27H44NO7P	525.285542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR914	Lyso PE 22:6 monoisotopic mass 	C27H44NO7P	525.285542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR914	Lyso PE 22:6 monoisotopic mass 	C27H44NO7P	525.285542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR914	Lyso PE 22:6 monoisotopic mass 	C27H44NO7P	525.285542	masses lipides attendues	Inhousejuil11	NA	NA
+PJ003853	LKEH 	C23H39N7O7	525.2911	NA	PeJP	NA	NA
+MJ077294	Protoverine 	C27H43NO9	525.293781	NA	MeJP	NA	NA
+C10817	Protoverine	C27H43NO9	525.2938	NA	KEGG	NA	NA
+PJ003854	NKKH 	C22H39N9O6	525.3023	NA	PeJP	NA	NA
+PJ003855	TLHR 	C22H39N9O6	525.3024	NA	PeJP	NA	NA
+EUR842	Lyso PE 18:1 [M+FA-H]-	C23H46NO7P	525.306072	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR842	Lyso PE 18:1 [M+FA-H]-	C23H46NO7P	525.306072	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR842	Lyso PE 18:1 [M+FA-H]-	C23H46NO7P	525.306072	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR842	Lyso PE 18:1 [M+FA-H]-	C23H46NO7P	525.306072	masses lipides attendues	Inhousejuil11	NA	NA
+EUR733	Lyso PC 14:1 [M-H+acetate]-	C22H44NO7P	525.306642	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR733	Lyso PC 14:1 [M-H+acetate]-	C22H44NO7P	525.306642	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR733	Lyso PC 14:1 [M-H+acetate]-	C22H44NO7P	525.306642	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR733	Lyso PC 14:1 [M-H+acetate]-	C22H44NO7P	525.306642	masses lipides attendues	Inhousejuil11	NA	NA
+MJ077295	Talatizamine; O14-Benzoyl 	C31H43NO6	525.309038	NA	MeJP	NA	NA
+PJ003856	SPPLL 	C25H43N5O7	525.3163	NA	PeJP	NA	NA
+PJ003857	GPPKK 	C24H43N7O6	525.3275	NA	PeJP	NA	NA
+MJ077296	Picromycin 	C28H47NO8	525.330167	NA	MeJP	NA	NA
+MJ077297	Tumonoic acid B 	C28H47NO8	525.330167	NA	MeJP	NA	NA
+C11999	Pikromycin	C28H47NO8	525.3302	NA	KEGG	NA	NA
+MJ077298	Lycorine, O1-Hexadecanoyl 	C32H47NO5	525.345423	NA	MeJP	NA	NA
+PJ003858	APLLL 	C26H47N5O6	525.3527	NA	PeJP	NA	NA
+MJ077299	Ilmofosine 	C26H56NO5PS	525.361681	NA	MeJP	NA	NA
+MJ077300	3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol, O2'-Hexadecanoyl 	C34H55NO3	525.418194	NA	MeJP	NA	NA
+C14758	ICI 164384	C34H55NO3	525.4182	NA	KEGG	NA	NA
+MJ077301	3-[7-[2-Ethoxy-3-(hexadecyloxy)propoxy]heptyl]thiazolium(1+) 	C31H60NO3S(+)	525.421565	NA	MeJP	NA	NA
+7355	celiac sprue gluten epitope found in hordein	PFPQPQQPN	525.74645	MH2+	Inhouse_peptide	NA	peptide
+7354	celiac sprue gluten epitope found in hordein	PFPQPQEPI	525.759	MH2+	Inhouse_peptide	NA	peptide
+7707	pyrokinin TENMO-PK-3	HLSPFSPRL~	525.7895	MH2+	Inhouse_peptide	NA	peptide
+8169	ACE inhibitor	GPVRGPFPII	525.8015	MH2+	Inhouse_peptide	NA	peptide
+8286	antioxidative peptide	GPVRGPFPII	525.8015	MH2+	Inhouse_peptide	NA	peptide
+FL5FAANSS004	Kaempferol 3,7,4'-tri-O-sulfate	C15H10O15S3	525.91818	79174-98-4	knapsack	NA	NA
+MJ077302	3,4',5,7-Tetrahydroxyflavone; 3,4',7-Tri-O-sulfate 	C15H10O15S3	525.918181	NA	MeJP	NA	NA
+MJ077303	Tauroacidin A 	C13H16Br2N6O5S	525.926963	NA	MeJP	NA	NA
+MetaCyc03779	2-amino-4-oxo-6-(erythro-1',2',3'-trihydroxyprolyl)-7,8-dihydroxypteridine triphosphate []	C9H15N5O15P3	525.977749	NA	metacyc	NA	NA
+MJ077304	Matchamycin 	C26H13CuN3O6	526.010036	NA	MeJP	NA	NA
+MJ077305	4',5,7-Trihydroxyflavone; 7-O-(O-Sulfo-?-D-glucuronopyranoside) 	C21H18O14S	526.041725	NA	MeJP	NA	NA
+MJ077306	Gilmaniellin 	C26H19ClO10	526.066674	NA	MeJP	NA	NA
+MJ077307	Succinate semialdehyde-thiamin diphosphate anion 	C16H24N4O10P2S	526.068836	NA	MeJP	NA	NA
+MJ077308	Griseorhodin C 	C25H18O13	526.07474	NA	MeJP	NA	NA
+MJ077309	Hiascic acid; 5-Ac 	C26H22O12	526.111126	NA	MeJP	NA	NA
+MJ077310	Mangiferin; 2'-Benzoyl 	C26H22O12	526.111126	NA	MeJP	NA	NA
+MJ077311	Mangiferin; 4'-Benzoyl 	C26H22O12	526.111126	NA	MeJP	NA	NA
+MJ077312	Mangiferin; 6'-Benzoyl 	C26H22O12	526.111126	NA	MeJP	NA	NA
+MJ077313	Falconensin A; 1',2'-Dihydro, 8-Ac 	C25H28Cl2O8	526.116123	NA	MeJP	NA	NA
+C11462	3-Hydroxy-L-tyrosyl-AMP	C19H23N6O10P	526.1213	NA	KEGG	NA	NA
+C11463	3,4-Dihydroxy-L-phenylalanyl-[pcp]	C9H10NO3SR	526.1213	NA	KEGG	NA	NA
+C11464	5-Chloro-3,4-dihydroxy-L-phenylalanyl-[pcp]	C9H9ClNO3SR	526.1213	NA	KEGG	NA	NA
+MJ077314	4',7-Dihydroxyflavanone(3?3')-2',4,4',6'-tetrahydroxychalcone 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077315	Calodenin B; 2'',3''-Dihydro 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077316	Calodenin B; 2,3-Dihydro(trans-) 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077317	Daphnodorin B; 3-Deoxy 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077318	Daphnodorin K 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077319	Genkwanol A; 3-Deoxy, 8,9-diepimer 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077320	Gnetuhainin H; 2,3-Didehydro 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077321	Lophirone C; 3-Hydroxy 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077322	Maackiasin 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077323	Rubellin A 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077324	Rubellin C 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077325	Urundeuvina A 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077326	Wikstrol A; 3-Deoxy 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077327	Wikstrol A; Atropisomer, 3-deoxy 	C30H22O9	526.126382	NA	MeJP	NA	NA
+MJ077328	Antibiotic PB 5582A 	C16H26N6O12S	526.132941	NA	MeJP	NA	NA
+PJ003859	GCCNM 	C17H30N6O7S3	526.1338	NA	PeJP	NA	NA
+8204	peptide from Cornu Bubali (Bubalus Bubalis horn)	YEDCTDCGN	526.13485	MH2+	Inhouse_peptide	NA	peptide
+FL6FACGS0002	Viscutin 1	C27H26O11	526.14751	108403-43-6	knapsack	NA	NA
+MJ077329	3',4',5,7-Tetrahydroxyflavan, 5-O-(2-O-p-Hydroxybenzoylxylopyranoside) 	C27H26O11	526.147511	NA	MeJP	NA	NA
+MJ077330	3-Hydroxyumbilicaric acid; 3,4-Di-Me ether 	C27H26O11	526.147511	NA	MeJP	NA	NA
+MJ077331	Diphyllin; O-[4-O-Methyl-?-D-xylopyranoside] 	C27H26O11	526.147511	NA	MeJP	NA	NA
+MJ077332	Hiascic acid; 2,4,5-Tri-Me ether 	C27H26O11	526.147511	NA	MeJP	NA	NA
+MJ077333	Torreyaflavonoloside 	C27H26O11	526.147511	NA	MeJP	NA	NA
+PJ003860	SSCCQ 	C17H30N6O9S2	526.1516	NA	PeJP	NA	NA
+MJ077334	Anziaic acid; 3,5-Dichloro, 2,2'-di-Me ether 	C26H32Cl2O7	526.152508	NA	MeJP	NA	NA
+PJ003861	DDDY 	C21H26N4O12	526.1547	NA	PeJP	NA	NA
+MJ077335	Camptothecin, 9-?-D-Glucopyranosyloxy 	C26H26N2O10	526.158745	NA	MeJP	NA	NA
+PJ003862	DMMM 	C19H34N4O7S3	526.159	NA	PeJP	NA	NA
+MJ077336	4-Amino-2-methyl-1-[6-[(2-methyl-4-quinolinyl)amino]hexyl]quinolinium(1+); Iodide 	C26H31IN4	526.15934	NA	MeJP	NA	NA
+MJ077337	Azobechalcone A 	C31H26O8	526.162767	NA	MeJP	NA	NA
+C09114	Inumakilactone A glycoside	C24H30O13	526.1686	NA	KEGG	NA	NA
+MJ077338	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[4-hydroxy-3,5-dimethoxybenzoyl-(?6)-?-D-glucopyranoside] 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077339	Inumakilactone A; 15-O-?-D-Glucopyranoside 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077340	Lamiide; 7-Benzoyl 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077341	Nyctanthoside; 10-Benzoyl 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077342	Oleuropein; 10-Hydroxy, 3''-deoxy, parent acid 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077343	Paeoniflorin; 3''-Methoxy, 4''-hydroxy 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077344	Paulownioside; 8-Epimer, 10-(4-hydroxy-E-cinnamoyl) 	C24H30O13	526.168641	NA	MeJP	NA	NA
+MJ077345	Secologanol; 7-O-(2,5-Dihydroxybenzoyl) 	C24H30O13	526.168641	NA	MeJP	NA	NA
+PJ003863	GSSSSC 	C17H30N6O11S	526.1693	NA	PeJP	NA	NA
+PJ003864	ACCCK 	C18H34N6O6S3	526.1702	NA	PeJP	NA	NA
+PJ003865	DDMF 	C22H30N4O9S	526.1734	NA	PeJP	NA	NA
+MJ077346	Aglaiastatin; 3'-Hydroxy, 5a''',N6'''-didehydro, 7-O-de-Me 	C30H26N2O7	526.174001	NA	MeJP	NA	NA
+MJ077347	N-[2-[5-(Aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycine 	C25H24F2N6O5	526.177624	NA	MeJP	NA	NA
+PJ003866	CMHH 	C20H30N8O5S2	526.1781	NA	PeJP	NA	NA
+FL63ACNC0003	Pilosanol B	C28H30O10	526.18389	142542-77-6	knapsack	NA	NA
+FL63ACNC0004	Pilosanol C	C28H30O10	526.18389	142542-78-7	knapsack	NA	NA
+MJ077348	3,4,4',5',9,9'-Hexahydroxy-8,2'-neoligna-7,7'-diene, 3,4'-Di-Me ether, tetra-Ac 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077349	Alvaradoin A 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077350	Isophysalin G 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077351	Physalin B; 5?,6?-Epoxide 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077352	Physalin B; 5?,6?-Epoxide 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077353	Physalin B; 7?-Hydroxy 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077354	Physalin C; 7?-Hydroxy 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077355	Physalin G 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077356	Physalin P 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077357	Pilosanol B 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077358	Pilosanol C 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077359	Punarnavoside 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077360	Rhamnose; ?-L-Pyranose-form, 3,4-Bis-O-(4-methoxycinnamoyl)(E,E-), 2-Ac 	C28H30O10	526.183897	NA	MeJP	NA	NA
+MJ077361	Territrem A' 	C28H30O10	526.183897	NA	MeJP	NA	NA
+PJ003867	CNQY 	C21H30N6O8S	526.1846	NA	PeJP	NA	NA
+PJ003868	SSCCK 	C18H34N6O8S2	526.188	NA	PeJP	NA	NA
+MJ077362	Harpagide; 6'-O-?-D-Glucopyranosyl 	C21H34O15	526.18977	NA	MeJP	NA	NA
+MJ077363	Paulownioside; 8-Epimer, 6-O-?-L-rhamnopyranoside 	C21H34O15	526.18977	NA	MeJP	NA	NA
+PJ003869	SEEY 	C22H30N4O11	526.1911	NA	PeJP	NA	NA
+MJ077364	Antibiotic UK 2; Antibiotic UK 2B 	C27H30N2O9	526.19513	NA	MeJP	NA	NA
+MJ077365	Lyaloside 	C27H30N2O9	526.19513	NA	MeJP	NA	NA
+PJ003870	GPCNH 	C20H30N8O7S	526.1958	NA	PeJP	NA	NA
+MJ077366	20-Chloro-7,8:17,19-diepoxy-1(19),10(17),13-xenicatriene-6,11,12,18-tetrol; 11,12,18-Tri-Ac 	C26H35ClO9	526.19696	NA	MeJP	NA	NA
+MJ077367	6-Chloro-2,8,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; 2,9,14-Tri-Ac 	C26H35ClO9	526.19696	NA	MeJP	NA	NA
+CJneg0639	Ketoretinoic acid glucuronide isomer [(M+Cl)]-	C26H34ClO9	526.197425	C18rt(min)=8.85 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0639	Ketoretinoic acid glucuronide isomer [(M+Cl)]-	C26H34ClO9	526.197425	C18rt(min)=8.85 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+FL1CA9NC0001	Kurzichalcolactone	C32H30O7	526.19915	150813-89-1	knapsack	NA	NA
+FL2FA9NC0014	Kurziflavolactone A;(2R,12R,14R,16R)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-12,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione	C32H30O7	526.19915	150813-87-9	knapsack	NA	NA
+FL2FA9NC0015	Kurziflavolactone B;(2R,12S,14S,16S)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione	C32H30O7	526.19915	150852-76-9	knapsack	NA	NA
+FL2FA9NC0016	Kurziflavolactone C;(6R,8R,10R,14R)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione	C32H30O7	526.19915	150813-88-0	knapsack	NA	NA
+FL2FA9NC0017	Kurziflavolactone D;(6R,8R,10R,14S)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione	C32H30O7	526.19915	150852-77-0	knapsack	NA	NA
+MJ077368	Kurzichalcolactone 	C32H30O7	526.199153	NA	MeJP	NA	NA
+MJ077369	Kurziflavolactone A 	C32H30O7	526.199153	NA	MeJP	NA	NA
+MJ077370	Kurziflavolactone C 	C32H30O7	526.199153	NA	MeJP	NA	NA
+PJ003871	GSSNY 	C21H30N6O10	526.2024	NA	PeJP	NA	NA
+MJ077371	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 7-O-?-D-glucopyranoside 	C25H34O12	526.205026	NA	MeJP	NA	NA
+MJ077372	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 9-O-?-D-glucopyranoside 	C25H34O12	526.205026	NA	MeJP	NA	NA
+MJ077373	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3-Me ether, 3'-O-?-D-glucopyranoside 	C25H34O12	526.205026	NA	MeJP	NA	NA
+MJ077374	Abelioside B; 7-Aldehyde 	C25H34O12	526.205026	NA	MeJP	NA	NA
+MJ077375	Gibberellin A7; 16,17-Dihydro, 16?,17-dihydroxy, 17-O-?-D-glucopyranoside 	C25H34O12	526.205026	NA	MeJP	NA	NA
+MJ077376	Gibberellin A8; 2-O-?-D-Glucopyranoside 	C25H34O12	526.205026	NA	MeJP	NA	NA
+MJ077377	Samaderine C; 2-O-?-D-Glucopyranoside 	C25H34O12	526.205026	NA	MeJP	NA	NA
+PJ003872	VDMY 	C23H34N4O8S	526.2098	NA	PeJP	NA	NA
+MJ077378	Aglaiastatin 	C31H30N2O6	526.210386	NA	MeJP	NA	NA
+PJ003873	NQEH 	C20H30N8O9	526.2136	NA	PeJP	NA	NA
+MJ077379	(4'-O-3')-Bi(eupomatenoid 6) 	C36H30O4	526.214409	NA	MeJP	NA	NA
+MJ077380	11(15?1)-Abeo-5,20:10,5-diepoxy-2,4,7,13-tetrahydroxy-11-taxen-9-one, 2-Benzoyl, 4-Ac 	C29H34O9	526.220282	NA	MeJP	NA	NA
+MJ077381	?-Alectoronic acid; 6-Me ether 	C29H34O9	526.220282	NA	MeJP	NA	NA
+MJ077382	Alectoronic acid; 3-Me ether 	C29H34O9	526.220282	NA	MeJP	NA	NA
+MJ077383	Angustidienolide; 2-Hydroxy 	C29H34O9	526.220282	NA	MeJP	NA	NA
+MJ077384	Roridin H; 7?,8?-Epoxide 	C29H34O9	526.220282	NA	MeJP	NA	NA
+MJ077385	Territrem C; 4'-Me ether 	C29H34O9	526.220282	NA	MeJP	NA	NA
+PJ003874	CNKY 	C22H34N6O7S	526.221	NA	PeJP	NA	NA
+PJ003875	VMMF 	C24H38N4O5S2	526.2284	NA	PeJP	NA	NA
+PJ003876	GQHW 	C24H30N8O6	526.2289	NA	PeJP	NA	NA
+2847	NA	YPFT	526.23	antibacterial	Inhouse_peptide	NA	peptide
+MJ077386	4-Chloro-10,11-epoxy-7(14)-bisabolene-1,2,3,8-tetrol; 2,8-Diangeloyl, 1-Ac 	C27H39ClO8	526.233345	NA	MeJP	NA	NA
+MJ077387	4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 11-Deoxy, 11,12-didehydro, 1,8-diangeloyl, 2-Ac 	C27H39ClO8	526.233345	NA	MeJP	NA	NA
+MJ077388	Haterumalide NE; 3-Ac, butyl ester 	C27H39ClO8	526.233345	NA	MeJP	NA	NA
+PJ003877	GPPQE 	C22H34N6O9	526.2387	NA	PeJP	NA	NA
+PJ003878	LEEH 	C22H34N6O9	526.2388	NA	PeJP	NA	NA
+PJ003879	PHHH 	C23H30N10O5	526.2401	NA	PeJP	NA	NA
+MJ077389	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,10-Tri-Ac 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077390	2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-?-D-Glucopyranoside 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077391	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,13-Tri-Ac 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077392	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 5,10,13-Tri-Ac 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077393	Amarolide; 2-O-?-D-Glucopyranoside 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077394	Anhydrosincassiol; 19-O-?-D-Glucopyranoside 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077395	Lamourouxide I 	C26H38O11	526.241412	NA	MeJP	NA	NA
+MJ077396	Ovatuside 	C26H38O11	526.241412	NA	MeJP	NA	NA
+PJ003880	PTFY 	C27H34N4O7	526.2428	NA	PeJP	NA	NA
+PJ003881	TLMY 	C24H38N4O7S	526.2461	NA	PeJP	NA	NA
+PJ003882	NKEH 	C21H34N8O8	526.25	NA	PeJP	NA	NA
+PJ003883	PPQW 	C26H34N6O6	526.254	NA	PeJP	NA	NA
+FL4DALNI0012	Kosamol A;3,5,7,2',4'-Pentahydroxy-6-(3-hydroxy-3-methylbutyl)-8-lavandulylflavanone	C30H38O8	526.25666	182556-80-5	knapsack	NA	NA
+MJ077397	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 3,7,12-Triketone 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077398	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 11-Ac 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077399	5,6:18,20-Diepoxy-4,18-dihydroxy-1-oxowith-2-enolide, 24,25-Didehydro, 4-Ac 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077400	7,8-Epoxy-3,20-dihydroxy-12,15,23-trioxo-9(11),16-lanostadien-26-oic acid, 3-Ketone 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077401	Absintholide 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077402	Chisocheton compound G 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077403	Gnidilatin; De(benzoyloxy), 22,23,24,25,26,27-hexadehydro 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077404	Kushenol M; 2'',3''-Dihydro, 3''-hydroxy 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077405	Marnoodin 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077406	Pinoresinol, Bis(3-methylbutanoyl) 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077407	Surenin 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077408	Withangulatin A 	C30H38O8	526.256668	NA	MeJP	NA	NA
+MJ077409	Kanamycin B; 6''-O-Carbamoyl 	C19H38N6O11	526.259856	NA	MeJP	NA	NA
+C18000	Nebramycin factor 4	C19H38N6O11	526.2599	NA	KEGG	NA	NA
+PJ003884	SQHR 	C20H34N10O7	526.2612	NA	PeJP	NA	NA
+MJ077410	Murrafoline C 	C36H34N2O2	526.262028	NA	MeJP	NA	NA
+MJ077411	Murrafoline H 	C36H34N2O2	526.262028	NA	MeJP	NA	NA
+MJ077412	Murranimbine 	C36H34N2O2	526.262028	NA	MeJP	NA	NA
+MJ077413	?-L-Fucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-L-rhamnose; ?-Pyranose-form, Me glycoside, 2,2'',3'',4''-tetra-Me 	C23H42O13	526.262541	NA	MeJP	NA	NA
+MJ077414	Dequalinium(2+); Dichloride 	C30H40Cl2N4	526.263002	NA	MeJP	NA	NA
+PJ003885	GKHW 	C25H34N8O5	526.2652	NA	PeJP	NA	NA
+MJ077415	Antibiotic CJ 12662; Dechloro 	C29H38N2O7	526.267901	NA	MeJP	NA	NA
+2911	neuropeptide from eyestalk of Macrobrachium rosenb	SDRNFLRF~	526.2699	MH2+	Inhouse_peptide	NA	peptide
+PJ003886	GPPKE 	C23H38N6O8	526.2751	NA	PeJP	NA	NA
+MJ077416	1,4,6,12,18,19-Hexahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 19-Ac 	C27H42O10	526.277797	NA	MeJP	NA	NA
+MJ077417	Chlamydocin 	C28H38N4O6	526.279134	NA	MeJP	NA	NA
+MJ077418	Iganidipine 	C28H38N4O6	526.279134	NA	MeJP	NA	NA
+PJ003887	VVFY 	C28H38N4O6	526.2792	NA	PeJP	NA	NA
+MJ077419	Itriglumide 	C33H38N2O4	526.283157	NA	MeJP	NA	NA
+PJ003888	GPPTR 	C22H38N8O7	526.2864	NA	PeJP	NA	NA
+MJ077420	Neothiobinupharidine; 6,6'-Dihydroxy 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077421	Thiobinupharidine; 6'S-Hydroxy, S-oxide (?-) 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077422	Thiobinupharidine; 6?,6'?-Dihydroxy 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077423	Thiobinupharidine; 6R-Hydroxy, S-oxide (?-) 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077424	Thiobinupharidine; 6R-Hydroxy, S-oxide (?-) 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077425	Thiobinupharidine; 6?,6'?-Dihydroxy 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077426	Thiobinupharidine; 7-Epimer, 6R-hydroxy, S-oxide (?-) 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077427	Thionuphlutine B; 6'R-Hydroxy, ?-S-oxide 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+MJ077428	Thionuphlutine B; 6,6'-Dihydroxy 	C30H42N2O4S	526.286528	NA	MeJP	NA	NA
+HMDB00572	Desmosine	C24H40N5O8	526.287659	NA	HMDB2010	NA	NA
+HMDB00739	Isodesmosine	C24H40N5O8	526.287659	NA	HMDB2010	NA	NA
+HMDB00572	Desmosine	C24H40N5O8	526.28772	http://www.hmdb.ca/metabolites/HMDB00572	HMDB	NA	NA
+HMDB00739	Isodesmosine	C24H40N5O8	526.28772	http://www.hmdb.ca/metabolites/HMDB00739	HMDB	NA	NA
+HMDB00572	Desmosine	C24H40N5O8	526.28772	HMDB00572	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00739	Isodesmosine	C24H40N5O8	526.28772	HMDB00739	PFEM_hmdb_metabocards_official	NA	NA
+MJ077429	Antibiotic SB 291071 	C26H42N2O9	526.28903	NA	MeJP	NA	NA
+PJ003889	PPKW 	C27H38N6O5	526.2904	NA	PeJP	NA	NA
+MJ077430	1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 2-(2-methylbutanoyl), 1-Ac 	C31H42O7	526.293053	NA	MeJP	NA	NA
+MJ077431	Helvolic acid; O6-De-Ac 	C31H42O7	526.293053	NA	MeJP	NA	NA
+MJ077432	Milbemycin ?1; 5-Ketone 	C31H42O7	526.293053	NA	MeJP	NA	NA
+MJ077433	Picrolichenic acid; Homologue (3) 	C31H42O7	526.293053	NA	MeJP	NA	NA
+MJ077434	Picrolichenic acid; Homologue (4) 	C31H42O7	526.293053	NA	MeJP	NA	NA
+MJ077435	Ceridimine; 16-Hydroxymethyl 	C32H38N4O3	526.294391	NA	MeJP	NA	NA
+MJ077436	22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate 	C28H46O7S	526.296424	NA	MeJP	NA	NA
+MJ077437	3,6,20-Trihydroxyergost-9(11)-en-23-one, 3-O-Sulfate 	C28H46O7S	526.296424	NA	MeJP	NA	NA
+MJ077438	Ergosta-7,22-diene-3,5,6,9-tetrol, 6-O-Sulfate 	C28H46O7S	526.296424	NA	MeJP	NA	NA
+PJ003890	SKHR 	C21H38N10O6	526.2976	NA	PeJP	NA	NA
+MJ077439	Acobretine A; O8-de-Ac, O14-de-Me 	C30H42N2O6	526.304287	NA	MeJP	NA	NA
+MJ077440	Dihydromonticamine; O1-Me, O4-(2-aminobenzoyl) 	C30H42N2O6	526.304287	NA	MeJP	NA	NA
+PJ003891	SPPVK 	C24H42N6O7	526.3115	NA	PeJP	NA	NA
+MJ077441	Butyrolactol A 	C28H46O9	526.314183	NA	MeJP	NA	NA
+MJ077442	Cotylenin E 	C28H46O9	526.314183	NA	MeJP	NA	NA
+MJ077443	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-hexopyranoside] 	C28H46O9	526.314183	NA	MeJP	NA	NA
+PJ003892	AAPLR 	C23H42N8O6	526.3228	NA	PeJP	NA	NA
+MJ077444	Tryptophyllin L 2.1 	C28H42N6O4	526.326753	NA	MeJP	NA	NA
+MJ077445	16,17:24,25-Diepoxy-23-hydroxy-12-protostene-3,11-dione, 23-Ac 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077446	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-Ac 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077447	3,15-Dihydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid, 15-Ac 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077448	3,15-Dihydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid, 3-Ac 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077449	7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid, Ac, Me ester 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077450	Acteol; 26-Deoxy, 7,8-didehydro, 12-Ac 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077451	Anguinomycin B 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077452	Azadirachtol 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077453	Brasiliensic acid 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077454	Inophylloidic acid 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077455	Leptomycin A 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077456	Macrophyllin 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077457	Milbemycin ?2; 28-Deoxy, 5-O-de-Me, 5-ketone 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077458	Petuniasterone C; 7,22-Di-Ac 	C32H46O6	526.329439	NA	MeJP	NA	NA
+MJ077459	Pseudobrasiliensic acid 	C32H46O6	526.329439	NA	MeJP	NA	NA
+PJ003893	PVRR 	C22H42N10O5	526.334	NA	PeJP	NA	NA
+PJ003894	GPLLK 	C25H46N6O6	526.3479	NA	PeJP	NA	NA
+MJ077460	2,3,7,11,15-Pentahydroxy-18-hydroxymethyl-2,6,10,14,16,20-hexamethyl-4,8,12,16-docosatetraenoic acid 	C29H50O8	526.350568	NA	MeJP	NA	NA
+MJ077461	Hemiasterlin 	C30H46N4O4	526.351905	NA	MeJP	NA	NA
+MJ077462	7,8-Didehydro-?,?-carotene 	C40H46	526.359951	NA	MeJP	NA	NA
+MJ077463	7,8-Didehydro-?,?-carotene 	C40H46	526.359951	NA	MeJP	NA	NA
+MJ077464	3,11-Dihydroxy-12-ursen-24-oic acid, 11-Ketone, 3-Ac, Me ester 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077465	3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ketone, 15-Ac 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077466	3,15-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 15-Ac 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077467	3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ketone, 16-Ac 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077468	3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ac 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077469	3,27-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 27-Ac, Me ester 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077470	Leptofuranin B 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077471	Morinin A; 5'-(9-Octadecenoyloxy)(Z-) 	C33H50O5	526.365824	NA	MeJP	NA	NA
+MJ077472	Flabelliformine; 1:1 Complex with Lycodoline CDK02-O 	C32H50N2O4	526.377058	NA	MeJP	NA	NA
+MJ077473	29-Methylstigmastane-3,5,6,8,15,28,29-heptol 	C30H54O7	526.386954	NA	MeJP	NA	NA
+MJ077474	12-Oleanene-3,28-diol, Di-Ac 	C34H54O4	526.40221	NA	MeJP	NA	NA
+MJ077475	12-Ursene-3,11-diol, Di-Ac 	C34H54O4	526.40221	NA	MeJP	NA	NA
+MJ077476	14-Taraxerene-3,29-diol, Di-Ac 	C34H54O4	526.40221	NA	MeJP	NA	NA
+MJ077477	18-Oleanene-3,16-diol, Di-Ac 	C34H54O4	526.40221	NA	MeJP	NA	NA
+MJ077478	2,3-Dihydroxy-12-oleanen-28-oic acid, 2,3-O-Isopropylidene, Me ester 	C34H54O4	526.40221	NA	MeJP	NA	NA
+MJ077479	2-Octaprenylphenol 	C38H54O	526.417466	NA	MeJP	NA	NA
+MJ077480	Antibiotic SF 2425 	C25H54N10O2	526.443121	NA	MeJP	NA	NA
+HMDB07010	DG(14:0/15:0/0:0)	C32H62O5	526.459717	NA	HMDB2010	NA	NA
+HMDB07066	DG(15:0/14:0/0:0)	C32H62O5	526.459717	NA	HMDB2010	NA	NA
+MJ077481	Indoxacarb, ANSI 	C22H17ClF3N3O7	527.070712	NA	MeJP	NA	NA
+HMDB06744	3-carboxy-1-hydroxypropylthiamine diphosphate	C16H25N4O10P2S	527.07666	http://www.hmdb.ca/metabolites/HMDB06744	HMDB	NA	NA
+HMDB06744	3-carboxy-1-hydroxypropylthiamine diphosphate	C16H25N4O10P2S	527.07666	HMDB06744	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06744	3-carboxy-1-hydroxypropylthiamine diphosphate	C16H25N4O10P2S	527.07666	NA	HMDB2010	NA	NA
+MetaCyc03780	succinate-semialdehyde-thiamine PPi [Succinate semialdehyde-thiamin diphosphate anion;succinate-semialdehyde-thiamine pyrophosphate;succinate-semialdehyde-thiamin pyrophosphate;succinate-semialdehyde-thiamin PPi;]	C16H25N4O10P2S1	527.076662	NA	metacyc	NA	NA
+C05381	3-Carboxy-1-hydroxypropyl-ThPP	C16H25N4O10P2S	527.0767	NA	KEGG	NA	NA
+PJ003895	PCCCC 	C17H29N5O6S4	527.1001	NA	PeJP	NA	NA
+PJ003896	GCCDM 	C17H29N5O8S3	527.1179	NA	PeJP	NA	NA
+MJ077482	Antibiotic TMC 66 	C29H21NO9	527.121631	NA	MeJP	NA	NA
+PJ003897	SSCCE 	C17H29N5O10S2	527.1356	NA	PeJP	NA	NA
+MJ077483	Oxyphenisatin; O,O-Bis(3-pyridinecarbonyl) 	C32H21N3O5	527.14812	NA	MeJP	NA	NA
+PJ003898	GSCMM 	C18H33N5O7S3	527.1542	NA	PeJP	NA	NA
+MJ077484	Lumefantrine 	C30H32Cl3NO	527.154947	NA	MeJP	NA	NA
+MJ077485	Beperidium(1+), Iodide 	C23H34IN3O3	527.164485	NA	MeJP	NA	NA
+PJ003899	CNEY 	C21H29N5O9S	527.1686	NA	PeJP	NA	NA
+PJ003900	SSTCM 	C18H33N5O9S2	527.172	NA	PeJP	NA	NA
+C01907	Daunorubicin	C27H29NO10	527.1791	NA	KEGG	NA	NA
+MJ077486	Adriamycin; 11-Deoxy 	C27H29NO10	527.179146	NA	MeJP	NA	NA
+MJ077487	Adriamycin; 4'-Deoxy 	C27H29NO10	527.179146	NA	MeJP	NA	NA
+MJ077488	Antibiotic D 788-3 	C27H29NO10	527.179146	NA	MeJP	NA	NA
+MJ077489	Daunomycin 	C27H29NO10	527.179146	NA	MeJP	NA	NA
+MJ077490	Feudomycin B; 4-O-De-Me 	C27H29NO10	527.179146	NA	MeJP	NA	NA
+MJ077491	Pirozadil 	C27H29NO10	527.179146	NA	MeJP	NA	NA
+PJ003901	GPCDH 	C20H29N7O8S	527.1799	NA	PeJP	NA	NA
+PJ003902	GCYW 	C25H29N5O6S	527.1839	NA	PeJP	NA	NA
+MJ077492	Dapiramicin B 	C21H29N5O11	527.186356	NA	MeJP	NA	NA
+PJ003903	GSSDY 	C21H29N5O11	527.1864	NA	PeJP	NA	NA
+PJ003904	CQMF 	C22H33N5O6S2	527.1872	NA	PeJP	NA	NA
+MJ077493	Aristoloterpenate I; 8-Demethoxy 	C31H29NO7	527.194402	NA	MeJP	NA	NA
+MJ077494	Aristophyllide A; 5',12'-Diepimer, demethoxy 	C31H29NO7	527.194402	NA	MeJP	NA	NA
+MJ077495	Aristophyllide A; Demethoxy 	C31H29NO7	527.194402	NA	MeJP	NA	NA
+PJ003905	NEEH 	C20H29N7O10	527.1976	NA	PeJP	NA	NA
+PJ003906	CCFR 	C21H33N7O5S2	527.1985	NA	PeJP	NA	NA
+PJ003907	SQMY 	C22H33N5O8S	527.205	NA	PeJP	NA	NA
+PJ003908	GSNNH 	C19H29N9O9	527.2088	NA	PeJP	NA	NA
+PJ003909	GGGSNH 	C19H29N9O9	527.2089	NA	PeJP	NA	NA
+MJ077496	Gliquidone 	C27H33N3O6S	527.209006	NA	MeJP	NA	NA
+PJ003910	GEHW 	C24H29N7O7	527.2129	NA	PeJP	NA	NA
+MJ077497	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-benzoyl 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+MJ077498	Alldimycin B; 4-Deoxy, 10-O-deglycosyl 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+MJ077499	Alldimycin B; 4-Deoxy, 7-O-deglycosyl 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+MJ077500	Antibiotic K 502; Antibiotic K 502A 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+MJ077501	Antibiotic K 502; Antibiotic K 502B 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+MJ077502	Iremycin 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+MJ077503	Rhodomycin B; 12-Deoxy 	C28H33NO9	527.215531	NA	MeJP	NA	NA
+PJ003911	SCRY 	C21H33N7O7S	527.2162	NA	PeJP	NA	NA
+PJ003912	GSTTY 	C22H33N5O10	527.2228	NA	PeJP	NA	NA
+PJ003913	CKMF 	C23H37N5O5S2	527.2236	NA	PeJP	NA	NA
+MJ077504	Malformin; Malformin B5 	C23H37N5O5S2	527.22361	NA	MeJP	NA	NA
+MJ077505	Rolitetracycline 	C27H33N3O8	527.226765	NA	MeJP	NA	NA
+PJ003914	HWW 	C28H29N7O4	527.2281	NA	PeJP	NA	NA
+MJ077506	Celesticetin; ar-Deoxy, ar-amino 	C24H37N3O8S	527.230135	NA	MeJP	NA	NA
+C01688	Destomysin	C20H37N3O13	527.2326	NA	KEGG	NA	NA
+C01689	Detergents	C20H37N3O13	527.2326	NA	KEGG	NA	NA
+C01925	Hygromycin B	C20H37N3O13	527.2326	NA	KEGG	NA	NA
+MJ077507	Antibiotic A 9594 	C20H37N3O13	527.232638	NA	MeJP	NA	NA
+MJ077508	Antibiotic RH 5012C 	C20H37N3O13	527.232638	NA	MeJP	NA	NA
+MJ077509	Destomycin A 	C20H37N3O13	527.232638	NA	MeJP	NA	NA
+MJ077510	Hygromycin B 	C20H37N3O13	527.232638	NA	MeJP	NA	NA
+MetaCyc03781	hygromycin-B [antibiotic A-396-II;]	C20H37N3O13	527.232638	31282-04-9	metacyc	NA	NA
+PJ003915	DKEH 	C21H33N7O9	527.234	NA	PeJP	NA	NA
+PJ003916	PPEW 	C26H33N5O7	527.238	NA	PeJP	NA	NA
+MJ077511	4-(1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl)-?-[(5-quinolinyloxy)methyl]-1-piperazineethanol 	C32H31F2N3O2	527.238433	NA	MeJP	NA	NA
+PJ003917	SKMY 	C23H37N5O7S	527.2414	NA	PeJP	NA	NA
+PJ003918	SEHR 	C20H33N9O8	527.2452	NA	PeJP	NA	NA
+PJ003919	SVHW 	C25H33N7O6	527.2493	NA	PeJP	NA	NA
+PJ003920	LQMH 	C22H37N7O6S	527.2526	NA	PeJP	NA	NA
+PJ003921	SPPVE 	C23H37N5O9	527.2592	NA	PeJP	NA	NA
+MJ077512	Ostreogrycin G 	C28H37N3O7	527.26315	NA	MeJP	NA	NA
+PJ003922	CLHR 	C21H37N9O5S	527.2639	NA	PeJP	NA	NA
+PJ003923	GTTLH 	C22H37N7O8	527.2704	NA	PeJP	NA	NA
+PJ003924	AKFY 	C27H37N5O6	527.2744	NA	PeJP	NA	NA
+PJ003925	APPLM 	C24H41N5O6S	527.2778	NA	PeJP	NA	NA
+MJ077513	Erysodinophorine 	C32H38N3O4(+)	527.278406	NA	MeJP	NA	NA
+MJ077514	Erysophorine 	C32H38N3O4(+)	527.278406	NA	MeJP	NA	NA
+PJ003926	PQQR 	C21H37N9O7	527.2816	NA	PeJP	NA	NA
+PJ003927	PKHF 	C26H37N7O5	527.2856	NA	PeJP	NA	NA
+MJ077515	Aconosine; O14-(4-Methoxybenzoyl), 13-hydroxy 	C30H41NO7	527.288302	NA	MeJP	NA	NA
+MJ077516	Corallopyronin A 	C30H41NO7	527.288302	NA	MeJP	NA	NA
+MJ077517	Corallopyronin C 	C30H41NO7	527.288302	NA	MeJP	NA	NA
+MJ077518	Dihydrogadesine; O14-Benzoyl 	C30H41NO7	527.288302	NA	MeJP	NA	NA
+MJ077519	Pentagyline 	C30H41NO7	527.288302	NA	MeJP	NA	NA
+PJ003928	LKMH 	C23H41N7O5S	527.289	NA	PeJP	NA	NA
+PJ003929	GPLLE 	C24H41N5O8	527.2955	NA	PeJP	NA	NA
+EUR715	LysoPE(20:2) [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR870	Lyso PE 20:2 [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR715	LysoPE(20:2) [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR870	Lyso PE 20:2 [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR715	LysoPE(20:2) [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR870	Lyso PE 20:2 [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR715	LysoPE(20:2) [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	Inhousejuil11	NA	NA
+EUR870	Lyso PE 20:2 [M+Na]+	C25H48NO7P	527.298788	masses lipides attendues	Inhousejuil11	NA	NA
+EUR766	Lyso PC 20:5 [M-H-CH3]-	C28H48NO7P	527.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR909	Lyso PE 22:5 monoisotopic mass 	C27H46NO7P	527.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR766	Lyso PC 20:5 [M-H-CH3]-	C28H48NO7P	527.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR909	Lyso PE 22:5 monoisotopic mass 	C27H46NO7P	527.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR766	Lyso PC 20:5 [M-H-CH3]-	C28H48NO7P	527.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR909	Lyso PE 22:5 monoisotopic mass 	C27H46NO7P	527.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR766	Lyso PC 20:5 [M-H-CH3]-	C28H48NO7P	527.301192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR909	Lyso PE 22:5 monoisotopic mass 	C27H46NO7P	527.301192	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11494	LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))	C27H46NO7P	527.301208	NA	HMDB2010	NA	NA
+HMDB11495	LysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))	C27H46NO7P	527.301208	NA	HMDB2010	NA	NA
+HMDB11524	LysoPE(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C27H46NO7P	527.301208	NA	HMDB2010	NA	NA
+HMDB11525	LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C27H46NO7P	527.301208	NA	HMDB2010	NA	NA
+PJ003930	GPVQK 	C23H41N7O7	527.3068	NA	PeJP	NA	NA
+PJ003931	PLLW 	C28H41N5O5	527.3108	NA	PeJP	NA	NA
+PJ003932	PQKR 	C22H41N9O6	527.318	NA	PeJP	NA	NA
+EUR702	Lyso PE (18:0) [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR737	Lyso PC 15:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR837	Lyso PE 18:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR702	Lyso PE (18:0) [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR737	Lyso PC 15:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR837	Lyso PE 18:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR702	Lyso PE (18:0) [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR737	Lyso PC 15:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR837	Lyso PE 18:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR702	Lyso PE (18:0) [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR737	Lyso PC 15:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR837	Lyso PE 18:0 [M+FA-H]-	C23H48NO7P	527.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR678	Lyso PC 14:0 [M-H+acetate]-	C22H46NO7P	527.322292	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR678	Lyso PC 14:0 [M-H+acetate]-	C22H46NO7P	527.322292	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR678	Lyso PC 14:0 [M-H+acetate]-	C22H46NO7P	527.322292	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR678	Lyso PC 14:0 [M-H+acetate]-	C22H46NO7P	527.322292	masses lipides attendues	Inhousejuil11	NA	NA
+PJ003933	SPVLL 	C25H45N5O7	527.3319	NA	PeJP	NA	NA
+3621	NA	RKPK	527.341	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ003934	GPVKK 	C24H45N7O6	527.3432	NA	PeJP	NA	NA
+C15755	Dihydropicromycin	C28H49NO8	527.3458	NA	KEGG	NA	NA
+MJ077520	Kayamycin 	C28H49NO8	527.345817	NA	MeJP	NA	NA
+MJ077521	Picromycin; 10,11-Dihydro 	C28H49NO8	527.345817	NA	MeJP	NA	NA
+MJ077522	Proactinomycin; Proactinomycin B 	C28H49NO8	527.345817	NA	MeJP	NA	NA
+PJ003935	PKKR 	C23H45N9O5	527.3544	NA	PeJP	NA	NA
+MJ077523	Daphnezomine D 	C32H49NO5	527.361073	NA	MeJP	NA	NA
+MJ077524	Daphnimacropine; 16-Deoxy, 22-acetoxy 	C32H49NO5	527.361073	NA	MeJP	NA	NA
+MJ077525	Secodaphniphylline; 22S-Acetoxy 	C32H49NO5	527.361073	NA	MeJP	NA	NA
+PJ003936	GLLLL 	C26H49N5O6	527.3683	NA	PeJP	NA	NA
+MJ077526	2,3,5-Tribromo-6-(1,1-dibromopropyl)-4H-pyran-4-one 	C8H5Br5O2	527.620642	NA	MeJP	NA	NA
+HMDB01980	Vasopressin	C46H65N13O12S2	527.7158815	MH2+	Inhouse_peptide	NA	peptide
+MJ077527	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 2'-Me ether 	C13H8Br4O3	527.720694	NA	MeJP	NA	NA
+MJ077528	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 6-Me ether 	C13H8Br4O3	527.720694	NA	MeJP	NA	NA
+MJ077529	Dibromobis(1-phenyl-1,3-butanedionato-O,O')titanium(IV) 	C20H18Br2O4Ti	527.905131	NA	MeJP	NA	NA
+MJ077530	3,6,13-Tribromo-4,10:9,12-diepoxy-14-pentadecyn-7-ol; Ac 	C17H23Br3O4	527.914647	NA	MeJP	NA	NA
+MJ077531	6,8-Dibromo-2-(3-bromo-1,2-propadienyl)-5-ethyldecahydrofuro[3,2-b]oxonin-9-ol; Ac 	C17H23Br3O4	527.914647	NA	MeJP	NA	NA
+MJ077532	Dysideapyrrolidone 	C17H22Cl6N2O4	527.971073	NA	MeJP	NA	NA
+C08428	(N-Sulfoindol-3-yl)methylglucosinolate	C16H20N2O12S3	528.0178	NA	KEGG	NA	NA
+MJ077533	Naph3-Indolylmethyl glucosinolate; N-Sulfonic acid 	C44	528.0178362	NA	MeJP	NA	NA
+C06620	dTDP-3,4-dioxo-2,6-dideoxy-D-glucose	C16H22N2O14P2	528.0546	NA	KEGG	NA	NA
+C11930	dTDP-2,6-dideoxy-D-glycero-hex-2-enos-4-ulose	C16H22N2O14P2	528.0546	NA	KEGG	NA	NA
+C11931	dTDP-2,6-dideoxy-L-glycero-hex-2-enos-4-ulose	C16H22N2O14P2	528.0546	NA	KEGG	NA	NA
+C17139	dTDP-3,4-dioxo-2,6-dideoxy-L-glucose	C16H22N2O14P2	528.0546	NA	KEGG	NA	NA
+MJ077534	dTDP-3,4-dioxo-2,6-dideoxy-D-glucose 	C16H22N2O14P2	528.054626	NA	MeJP	NA	NA
+FL3FACCSS001	Orientin 7-O-sulfate	C21H20O14S	528.05737	-	knapsack	NA	NA
+FL3FACCSS002	Isoorientin 7-O-sulfate	C21H20O14S	528.05737	-	knapsack	NA	NA
+FL3FACGSS002	Luteolin 7-sulfate-3'-glucoside	C21H20O14S	528.05737	33530-70-0	knapsack	NA	NA
+FL3FACGSS003	Luteorin 7-(2''-sulfatoglucoside);Thalassiolin A;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C21H20O14S	528.05737	207683-70-3	knapsack	NA	NA
+FL5FAAGLS001	Kaempferol 3-(3''-sulfatoglucoside)	C21H20O14S	528.05737	85290-33-1	knapsack	NA	NA
+FL5FAAGLS002	Kaempferol 3-beta-(6''-sulfatoglucoside)	C21H20O14S	528.05737	85290-34-2	knapsack	NA	NA
+FL5FACGSS004	Quercetin 3-rhamnoside-3'-sulfate;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one	C21H20O14S	528.05737	618906-36-8	knapsack	NA	NA
+MJ077535	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucopyranoside, 7-O-sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077536	3',4',5,7-Tetrahydroxyflavone; 7-O-(2-O-Sulfo-?-D-glucopyranoside) 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077537	3',4',5,7-Tetrahydroxyflavone; 7-O-(O-Sulfo-?-D-glucopyranoside) 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077538	Astragalin; 3''-O-Sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077539	Astragalin; 6''-O-Sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077540	Isoorientin; 7-O-Sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077541	Orientin; 7-O-Sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077542	Quercitrin; 3'-O-Sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077543	Quercitrin; O''-Sulfate 	C21H20O14S	528.057376	NA	MeJP	NA	NA
+MJ077544	Imcarbofos 	C17H30N4O7P2S2	528.103113	NA	MeJP	NA	NA
+MJ077545	Diphyllin; 3,4-Methylenedioxybenzoyl 	C29H20O10	528.105646	NA	MeJP	NA	NA
+MJ077546	Rubrosulphin 	C29H20O10	528.105646	NA	MeJP	NA	NA
+MJ077547	Bis[1-(3,4-dimethoxyphenyl)-1,3-butanedionato-O,O']difluorotitanium(IV) 	C24H26F2O8Ti	528.107521	NA	MeJP	NA	NA
+PJ003937	SCCCN 	C16H28N6O8S3	528.1131	NA	PeJP	NA	NA
+MJ077548	Sirodesmin A; 2a-Ac 	C22H28N2O9S2	528.123621	NA	MeJP	NA	NA
+MJ077549	Antibiotic A 80915A 	C26H31Cl3O5	528.123707	NA	MeJP	NA	NA
+MJ077550	Cefquinome 	C23H24N6O5S2	528.124959	NA	MeJP	NA	NA
+C10234	Mahuannin D	C30H24O9	528.142	NA	KEGG	NA	NA
+MJ077551	Austrovenetin 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077552	Chrysoaphin sl 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077553	Cordigol 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077554	Cordigone 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077555	Daphnodorin B; 3-Deoxy, 2'',3''-dihydro 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077556	Gnetuhainin H 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077557	Hypocrellin C 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077558	Lophirone F 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077559	Mahuannin D 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077560	Mazatlanone; 1-Me ether 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077561	Shiraiachrome C 	C30H24O9	528.142032	NA	MeJP	NA	NA
+MJ077562	Guaiacylglycerol, 4'-O-(6-O-3,4,5-Trihydroxybenzoyl-?-D-glucopyranoside) 	C23H28O14	528.147905	NA	MeJP	NA	NA
+PJ003938	CDEY 	C21H28N4O10S	528.1526	NA	PeJP	NA	NA
+MJ077563	1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-O-(2,3,4-Tri-O-acetyl-?-L-rhamnopyranoside) 	C27H28O11	528.163161	NA	MeJP	NA	NA
+C09973	Tremulacin	C27H28O11	528.1632	NA	KEGG	NA	NA
+C11289	17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)	C24H32O11S	528.1665	NA	KEGG	NA	NA
+C15207	17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate	C24H32O11S	528.1665	NA	KEGG	NA	NA
+HMDB10358	17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)	C24H32O11S	528.166504	NA	HMDB2010	NA	NA
+PJ003939	CEMF 	C22H32N4O7S2	528.1713	NA	PeJP	NA	NA
+MJ077564	Lyalosidic acid; 10-Hydroxy 	C26H28N2O10	528.174395	NA	MeJP	NA	NA
+MJ077565	Cyathostemmine 	C31H28O8	528.178417	NA	MeJP	NA	NA
+MJ077566	Palodesangretin I 	C31H28O8	528.178417	NA	MeJP	NA	NA
+PJ003940	DEEH 	C20H28N6O11	528.1816	NA	PeJP	NA	NA
+MJ077567	Harpagide; 8-O-(3,4-Dimethoxybenzoyl) 	C24H32O13	528.184291	NA	MeJP	NA	NA
+C11647	Deoxyloganic acid tetraacetate	C24H32O13	528.1843	NA	KEGG	NA	NA
+PJ003941	SEMY 	C22H32N4O9S	528.189	NA	PeJP	NA	NA
+PJ003942	GSNDH 	C19H28N8O10	528.1929	NA	PeJP	NA	NA
+MJ077568	Glaucin B 	C28H32O10	528.199547	NA	MeJP	NA	NA
+MJ077569	Italidipyrone 	C28H32O10	528.199547	NA	MeJP	NA	NA
+MJ077570	Physalin C; 7?-Hydroxy, 25?,27-dihydro 	C28H32O10	528.199547	NA	MeJP	NA	NA
+MJ077571	Physalin L 	C28H32O10	528.199547	NA	MeJP	NA	NA
+MJ077572	Physalin S 	C28H32O10	528.199547	NA	MeJP	NA	NA
+MJ077573	Rutaevin; O-Ac 	C28H32O10	528.199547	NA	MeJP	NA	NA
+PJ003943	PCFY 	C26H32N4O6S	528.2043	NA	PeJP	NA	NA
+PJ003944	CLMY 	C23H36N4O6S2	528.2076	NA	PeJP	NA	NA
+3817	NA	SYYP	528.21	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ077574	Antibiotic UK 2; Antibiotic UK 2C 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077575	Antibiotic UK 2; Antibiotic UK 2D 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077576	Aplidite A; 12-Hydroxy 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077577	Aplidite A; Geom. isomer, 12-hydroxy 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077578	Correantoside; 10-Hydroxy 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077579	Lobatamide A; 24E-Isomer, 30-hydroxy 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077580	Lobatamide A; 26Z-Isomer, 30-hydroxy 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077581	Lobatamide A; 30-Hydroxy 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+MJ077582	Tetrahydrodeoxycordifoline lactam; 3?-form, 22-Deoxo 	C27H32N2O9	528.21078	NA	MeJP	NA	NA
+PJ003945	NQMH 	C20H32N8O7S	528.2115	NA	PeJP	NA	NA
+MJ077583	Celesticetin 	C24H36N2O9S	528.214151	NA	MeJP	NA	NA
+C09944	Karwinskione	C32H32O7	528.2148	NA	KEGG	NA	NA
+MJ077584	Cinnabarone 	C32H32O7	528.214803	NA	MeJP	NA	NA
+MJ077585	Karwinskione 	C32H32O7	528.214803	NA	MeJP	NA	NA
+MJ077586	Socotrin-4'-ol; 2'-Methoxy, 4'-deoxy, 5'-hydroxy 	C32H32O7	528.214803	NA	MeJP	NA	NA
+MJ077587	Dexamethasone; 17-(2-Furancarbonyl), 21-Ac 	C29H33FO8	528.215946	NA	MeJP	NA	NA
+PJ003946	SPPND 	C21H32N6O10	528.218	NA	PeJP	NA	NA
+MJ077588	Abelioside B 	C25H36O12	528.220676	NA	MeJP	NA	NA
+MJ077589	Amareloside; 7?,8?-Epoxide 	C25H36O12	528.220676	NA	MeJP	NA	NA
+MJ077590	Ambiguuside 	C25H36O12	528.220676	NA	MeJP	NA	NA
+MJ077591	Gibberellin A4; 16,17-Dihydro, 16?,17-dihydroxy, 17-O-?-D-glucopyranoside 	C25H36O12	528.220676	NA	MeJP	NA	NA
+MJ077592	Kickxioside 	C25H36O12	528.220676	NA	MeJP	NA	NA
+MJ077593	Dutasteride 	C27H30F6N2O2	528.221147	NA	MeJP	NA	NA
+CJpos0816	Phenylacetylglutamine [(2M+H)]+	C26H33N4O8	528.221475	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0816	Phenylacetylglutamine [(2M+H)]+	C26H33N4O8	528.221475	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ003947	SPYY 	C26H32N4O8	528.222	NA	PeJP	NA	NA
+CJneg0640	Phenylacetylglutamine [(2M-H)]-	C26H31N4O8	528.222525	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0640	Phenylacetylglutamine [(2M-H)]-	C26H31N4O8	528.222525	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ003948	CNHR 	C19H32N10O6S	528.2227	NA	PeJP	NA	NA
+MJ077594	Feloprentan 	C31H32N2O6	528.226036	NA	MeJP	NA	NA
+PJ003949	GSTQH 	C20H32N8O9	528.2292	NA	PeJP	NA	NA
+PJ003950	GGGTTH 	C20H32N8O9	528.2293	NA	PeJP	NA	NA
+PJ003951	PEHF 	C25H32N6O7	528.2333	NA	PeJP	NA	NA
+MJ077595	14,17-Epoxy-5,6-dehydrocalotropin 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077596	3,14-Dihydroxy-19-oxobufa-5,7,20,22-tetraenolide, 3-Xyloside 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077597	5,20-Epoxy-1,2,4,7,10-pentahydroxy-11-taxen-9-one, 2-Benzoyl, 4-Ac 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077598	8,13-Epoxy-3,4,6,11-tetrahydroxy-15,16-clerodanolide, 3-Ketone, 6-benzoyl, 11-Ac 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077599	Angolensic acid; 6-Acetoxy, Me ester 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077600	Arisugacin E; 1?,12a-Dihydroxy, 3-Ac 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077601	Elaeodendroside O 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077602	Gomphoside; 19-Oxo, 5,6-didehydro, 3'-ketone 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077603	Javanicin S; 2-Me ether 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077604	Microphyllinic acid 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077605	Mytoxin B 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077606	Roridin J 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077607	Satratoxin H 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077608	Secomahoganin 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077609	Swietenolide; 3-Ac 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077610	Swietenolide; 6-Ac 	C29H36O9	528.235932	NA	MeJP	NA	NA
+MJ077611	Xylocarpin 	C29H36O9	528.235932	NA	MeJP	NA	NA
+PJ003952	LEMH 	C22H36N6O7S	528.2366	NA	PeJP	NA	NA
+PJ003953	GGAPPM 	C22H36N6O7S	528.2367	NA	PeJP	NA	NA
+PJ003954	CLFF 	C27H36N4O5S	528.2407	NA	PeJP	NA	NA
+21	Hemoglobin	YTVF	528.247	celiac toxic	Inhouse_peptide	NA	peptide
+PJ003955	GPPCR 	C21H36N8O6S	528.2479	NA	PeJP	NA	NA
+MJ077612	Morellin; Deoxy 	C33H36O6	528.251188	NA	MeJP	NA	NA
+MJ077613	Nimbocinol; 14?,15?-Epoxide, 7-O-benzoyl 	C33H36O6	528.251188	NA	MeJP	NA	NA
+PJ003956	GPVQE 	C22H36N6O9	528.2544	NA	PeJP	NA	NA
+PJ003957	VHHH 	C23H32N10O5	528.2557	NA	PeJP	NA	NA
+8117	peptide derived from sardinelle by-products proteins (Sardinella aurita)	PHYL	528.257	anticancer	Inhouse_peptide	NA	peptide
+MJ077614	11,15,16,17-Tetrahydroxy-19-kauranoic acid, 15-Ketone, ?-D-glucopyranosyl ester 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077615	2,6,18,19-Tetrahydroxy-8,13-labdadien-15,16-olide, 19-O-?-D-Glucopyranoside 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077616	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1-O-?-D-Glucopyranoside 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077617	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 11-O-?-D-Glucopyranoside 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077618	7,20-Epoxy-16-kaurene-1,6,7,14,15-pentol, 1-O-?-D-Glucopyranoside 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077619	7,20-Epoxy-16-kaurene-3,6,7,15,19-pentol, 19-O-?-D-Glucopyranoside 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077620	Coccinin 	C26H40O11	528.257062	NA	MeJP	NA	NA
+MJ077621	Digipenstroside 	C26H40O11	528.257062	NA	MeJP	NA	NA
+8236	Antioxidative peptide	WNIP	528.2579	NA  ;SYN:(2S,3S)-2-Amino-3-methylpentanoate; (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-2-amino-3-methyl-Pentanoate; (2S,3S)-2-amino-3-methyl-Pentanoic acid; (2S,3S)-a-Amino-b-methyl-n-valerate; (2S,3S)-a-Amino-b-methyl-n-valeric acid; (2S,3S)-a-Amino-b-methylvalerate; (2S,3S)-a-Amino-b-methylvaleric acid; (2S,3S)-alph-Amino-beta-methylvalerate; (2S,3S)-alph-Amino-beta-methylvaleric acid; (2S,3S)-alpha-Amino-beta-merthyl-n-valerate; (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-merthylvalerate; (2S,3S)-alpha-Amino-beta-merthylvaleric acid; (2S,3S)-alpha-Amino-beta-methyl-n-valerate; (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-methylvalerate; (2S,3S)-alpha-Amino-beta-methylvaleric acid; (S)-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylpentanoate; 2-Amino-3-methylpentanoic acid; 2-Amino-3-methylvalerate; 2-Amino-3-methylvaleric acid; 2S,3S-Isoleucine; Ile; Isoleucine; L-(+)-Isoleucine; L-Ile; [S-(R*,R*)]-2-Amino-3-methylpentanoate; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid; erythro-L-Isoleucine; iso-leucineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ003958	ALYY 	C27H36N4O7	528.2584	NA	PeJP	NA	NA
+MJ077622	Chaetoglobosin A 	C32H36N2O5	528.262422	NA	MeJP	NA	NA
+MJ077623	Chaetoglobosin B 	C32H36N2O5	528.262422	NA	MeJP	NA	NA
+MJ077624	Chaetoglobosin D 	C32H36N2O5	528.262422	NA	MeJP	NA	NA
+PJ003959	PQER 	C21H36N8O8	528.2656	NA	PeJP	NA	NA
+PJ003960	GGGGGPK 	C21H36N8O8	528.2657	NA	PeJP	NA	NA
+PJ003961	PVQW 	C26H36N6O6	528.2697	NA	PeJP	NA	NA
+C09198	Terpenoid EA-I	C30H40O8	528.2723	NA	KEGG	NA	NA
+MJ077625	1,2,9-Trihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 2-butanoyl, 1-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077626	12-Hydroxyvilasinin; 3,12-Di-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077627	2,3-Dihydroxy-12,17-dioxo-7,13-labdadien-15-oic acid, 2,3-Diangeloyl 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077628	3,21-Dihydroxycarda-8,14,16,20(22)-tetraenolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077629	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2Z,4E-Octadienoyl), 13-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077630	5,6-Epoxy-4,7,20-trihydroxy-1-oxowitha-2,24-dienolide, 7-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077631	5,6:18,20-Diepoxy-4,18-dihydroxy-1-oxowith-2-enolide, 4-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077632	7,12-Dihydroxy-3,11,15,23-tetraoxolanosta-8,20(22)-dien-26-oic acid 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077633	7,12-Dihydroxymeliac-1-ene-3,15-dione, 1,2-Dihydro, 11?-acetoxy, 7-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077634	7,20-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid, 7-Ketone 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077635	7,8-Epoxy-3,20-dihydroxy-12,15,23-trioxo-9(11),16-lanostadien-26-oic acid 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077636	Ardisiaquinone A 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077637	Ardisiaquinone B 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077638	Artebarrolide 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077639	Artenolide 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077640	Citreohybridone D 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077641	Gnidilatin; De(benzoyloxy), 22,23,24,25-tetradehydro 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077642	Havanensin; 16-Oxo, 1,3-di-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077643	Iochromolide; 27-Hydroxy 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077644	Matairesinol, 4-O-(6,7-Dihydroxy-3,7-dimethyl-2-octenyl) 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077645	Physapubenolide 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077646	Prasinic acid; 2''-Oxo, 2'-Me ether 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077647	Withacnistin; 16?-Hydroxy 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077648	Withacnistin; 27-Hydroxy 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077649	Withajardin A; 4-Ac 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077650	Withaminimin 	C30H40O8	528.272318	NA	MeJP	NA	NA
+MJ077651	Withanolide D; 18-Acetoxy 	C30H40O8	528.272318	NA	MeJP	NA	NA
+PJ003962	GPPKM 	C23H40N6O6S	528.273	NA	PeJP	NA	NA
+PJ003963	APRW 	C25H36N8O5	528.2809	NA	PeJP	NA	NA
+MJ077652	Lappaconidine; 4-O-(2-Aminobenzoyl) 	C29H40N2O7	528.283551	NA	MeJP	NA	NA
+PJ003964	GPVKE 	C23H40N6O8	528.2908	NA	PeJP	NA	NA
+MJ077653	Chlamydocin; Deepoxy, 7'R-hydroxy 	C28H40N4O6	528.294785	NA	MeJP	NA	NA
+PJ003965	PKER 	C22H40N8O7	528.302	NA	PeJP	NA	NA
+PJ003966	PVKW 	C27H40N6O5	528.306	NA	PeJP	NA	NA
+MJ077654	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11,12-Ditigloyl 	C31H44O7	528.308703	NA	MeJP	NA	NA
+MJ077655	Cucurbitacin T 	C31H44O7	528.308703	NA	MeJP	NA	NA
+MJ077656	Isogosterone A; 22?-Acetoxy 	C31H44O7	528.308703	NA	MeJP	NA	NA
+MJ077657	Milbemycin ?1 	C31H44O7	528.308703	NA	MeJP	NA	NA
+MJ077658	Prasinic acid; Di-Me ether 	C31H44O7	528.308703	NA	MeJP	NA	NA
+MJ077659	Pseudophrynamine A; 1''-Hydroxy 	C32H40N4O3	528.310041	NA	MeJP	NA	NA
+MJ077660	Ergosta-7,22-diene-3,5,6,9-tetrol, 22,23-Dihydro, 6-Osulfate 	C28H48O7S	528.312074	NA	MeJP	NA	NA
+PJ003967	PTRR 	C21H40N10O6	528.3133	NA	PeJP	NA	NA
+MJ077661	Hennoxazole A; O2-De-Me, O2-Et 	C30H44N2O6	528.319937	NA	MeJP	NA	NA
+FL1CA9NR0003	Neolinderachalcone	C35H44O4	528.32395	120217-40-5	knapsack	NA	NA
+FL2FA9NR0002	Neolinderatone	C35H44O4	528.32395	123297-92-7	knapsack	NA	NA
+MJ077662	Homoferruginin B 	C35H44O4	528.323959	NA	MeJP	NA	NA
+MJ077663	Neolinderatin, 2,3-Didehydro 	C35H44O4	528.323959	NA	MeJP	NA	NA
+MJ077664	Neolinderatone 	C35H44O4	528.323959	NA	MeJP	NA	NA
+MJ077665	Sampsonione H 	C35H44O4	528.323959	NA	MeJP	NA	NA
+PJ003968	APTLK 	C24H44N6O7	528.3272	NA	PeJP	NA	NA
+MJ077666	24-Hydroxymethylcholest-22-ene-3,4,5,6,8,14,15,25-octol 	C28H48O9	528.329833	NA	MeJP	NA	NA
+MJ077667	24-Methylcholest-22-ene-3,4,5,6,8,14,15,25,26-nonol 	C28H48O9	528.329833	NA	MeJP	NA	NA
+PJ003969	LLQR 	C23H44N8O6	528.3384	NA	PeJP	NA	NA
+MJ077668	12,24-Dihydroxy-20,24-dimethyl-15,17-scalaradien-25,24-olide, 12-(3-Hydroxypentanoyl) 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077669	14,15-Dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal; 29-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077670	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077671	2,3,23-Trihydroxy-12,19(29)-ursadien-28-oic acid, 23-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077672	23-Hydroxy-2,3-seco-12-ursene-2,3,28-trioic acid; 2?23 Lactone, di-Me ester 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077673	3,15,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?15 Lactone, 21-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077674	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 22-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077675	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077676	3,25-Epoxy-12-ursene-3,21,22,28-tetrol, 28-Aldehyde, 21-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077677	3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 3-Ketone, 15-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077678	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077679	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077680	3-Hydroxy-12-oleanene-28,29-dioic acid; 3?-form, 3-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077681	3-Hydroxy-12-ursene-27,28-dioic acid, Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077682	5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, Di-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077683	5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone; Hydroquinone, 4-O-?-D-arabinopyranoside 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077684	Acerinol; 25-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077685	Acteol; 26-Deoxy, 12-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077686	Alisol B; 16-Oxo, 23-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077687	Belamcandal 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077688	Lantic acid; 22?-Acetoxy 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077689	Milbemycin ?2; 28-Deoxy, 5-O-de-Me 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077690	Naheedin 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077691	Poricoic acid D; 3-Me ester 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077692	Sapelin C; 7-O-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077693	Scapaundulin A 	C32H48O6	528.345089	NA	MeJP	NA	NA
+MJ077694	Toosendantriol; 3-Ketone, 21-Ac 	C32H48O6	528.345089	NA	MeJP	NA	NA
+PJ003970	VVRR 	C22H44N10O5	528.3496	NA	PeJP	NA	NA
+3548	NA	IKVAV	528.351	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ003971	GVLLK 	C25H48N6O6	528.3636	NA	PeJP	NA	NA
+PJ003972	LLKR 	C24H48N8O5	528.3748	NA	PeJP	NA	NA
+C15943	Isorenieratene	C40H48	528.3756	NA	KEGG	NA	NA
+C15944	Mas7	C40H48	528.3756	NA	KEGG	NA	NA
+C15945	Mas8	C40H48	528.3756	NA	KEGG	NA	NA
+C15946	Mas17	C40H48	528.3756	NA	KEGG	NA	NA
+C15947	Mastoparan	C40H48	528.3756	NA	KEGG	NA	NA
+C15948	Myomodulin	C40H48	528.3756	NA	KEGG	NA	NA
+C15949	Neuropeptide Y	C40H48	528.3756	NA	KEGG	NA	NA
+MJ077695	3,3',4,4',7,7',8,8'-Octadehydro-?,?-carotene 	C40H48	528.375601	NA	MeJP	NA	NA
+MJ077696	Leprotene 	C40H48	528.375601	NA	MeJP	NA	NA
+MJ077697	Renierapurpurin 	C40H48	528.375601	NA	MeJP	NA	NA
+MJ077698	Renieratene 	C40H48	528.375601	NA	MeJP	NA	NA
+MJ077699	1,3-Dihydroxy-24-methylenecycloartan-28-oic acid, 1-Ac 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077700	17,20-Epoxy-23-methylergost-5-ene-3,22-diol, Di-Ac 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077701	2,3,19-Trihydroxy-12-ursen-28-oic acid, 2,3-O-Isopropylidene 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077702	3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 15-Ac 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077703	3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ac 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077704	3,16-Dihydroxy-24-methyllanosta-8,25-dien-21-oic acid, 3-Ac 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077705	3,27-Dihydroxy-20(29)-lupen-28-oic acid; 3?-form, 3-Ac, Me ester 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077706	Polyporenic acid A; 3-Ac 	C33H52O5	528.381474	NA	MeJP	NA	NA
+MJ077707	Saptarangiquinone A 	C33H52O5	528.381474	NA	MeJP	NA	NA
+C17044	Pachymic acid	C33H52O5	528.3815	NA	KEGG	NA	NA
+MJ077708	Incarvine A 	C32H52N2O4	528.392708	NA	MeJP	NA	NA
+MJ077709	Hopromalinol 	C31H52N4O3	528.403941	NA	MeJP	NA	NA
+MJ077710	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-tricosyl-4H-1-benzopyran-4-one 	C34H56O4	528.41786	NA	MeJP	NA	NA
+MJ077711	24-Ethylidenelanost-8-ene-3,22,23-triol, 22-Ac 	C34H56O4	528.41786	NA	MeJP	NA	NA
+MJ077712	3,21-Friedelanediol, Di-Ac 	C34H56O4	528.41786	NA	MeJP	NA	NA
+MJ077713	3,22-Stictanediol, Di-Ac 	C34H56O4	528.41786	NA	MeJP	NA	NA
+MJ077714	3,29-Friedelanediol, Di-Ac 	C34H56O4	528.41786	NA	MeJP	NA	NA
+MJ077715	Buxidienine I; 16-Deoxy, N3,N20,N20-tri-Me, N3-(2R-hydroxy-3?-methylpentanoyl) 	C33H56N2O3	528.429093	NA	MeJP	NA	NA
+MJ077716	20,24-Epoxy-25-ethyl-24-methyldammaran-3-ol, Ac 	C35H60O3	528.454245	NA	MeJP	NA	NA
+MJ077717	3-(4-Hydroxyphenyl)-2-propenoic acid, Hexacosyl ester 	C35H60O3	528.454245	NA	MeJP	NA	NA
+MJ077718	Dysidenin; 13-Demethyl 	C16H21Cl6N3O2S	528.948563	NA	MeJP	NA	NA
+MJ077719	Dysidenin; N6-De-Me 	C16H21Cl6N3O2S	528.948563	NA	MeJP	NA	NA
+MJ077720	Dragmacidin D 	C25H21BrN7O2(+)	529.086185	NA	MeJP	NA	NA
+C12318	dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-ulose	C16H25N3O13P2	529.0863	NA	KEGG	NA	NA
+C17093	dTDP-3-amino-4,6-deoxy-3,4-dehydroglucose	C16H25N3O13P2	529.0863	NA	KEGG	NA	NA
+PJ003973	SCCCD 	C16H27N5O9S3	529.0971	NA	PeJP	NA	NA
+MJ077721	Diphyllin; 4-Nitrobenzoyl 	C28H19NO10	529.100895	NA	MeJP	NA	NA
+PJ003974	ACCCM 	C17H31N5O6S4	529.1157	NA	PeJP	NA	NA
+PJ003975	SSCCM 	C17H31N5O8S3	529.1335	NA	PeJP	NA	NA
+MJ077722	Cervinomycin A1 	C29H23NO9	529.137281	NA	MeJP	NA	NA
+MJ077723	Lamellarin H; 7-Hydroxy, 8,9,12,21-tetra-Me ether 	C29H23NO9	529.137281	NA	MeJP	NA	NA
+MJ077724	Lamellarin H; 7-Hydroxy, 8,9,13,21-tetra-Me ether 	C29H23NO9	529.137281	NA	MeJP	NA	NA
+MJ077725	Antibiotic D 788-10 	C26H27NO11	529.15841	NA	MeJP	NA	NA
+PJ003976	CNMY 	C21H31N5O7S2	529.1665	NA	PeJP	NA	NA
+MJ077726	Acrimarine A; 3-Me ether, N,O6-di-de-Me 	C30H27NO8	529.173666	NA	MeJP	NA	NA
+MJ077727	Acrimarine A; O6-De-Me 	C30H27NO8	529.173666	NA	MeJP	NA	NA
+MJ077728	Acrimarine C 	C30H27NO8	529.173666	NA	MeJP	NA	NA
+MJ077729	Acrimarine J 	C30H27NO8	529.173666	NA	MeJP	NA	NA
+MJ077730	Lamellarin H; 5,6-Dihydro, 8,9,12,13,21-penta-Me ether 	C30H27NO8	529.173666	NA	MeJP	NA	NA
+PJ003977	GSDDH 	C19H27N7O11	529.1769	NA	PeJP	NA	NA
+PJ003978	APCCH 	C20H31N7O6S2	529.1777	NA	PeJP	NA	NA
+PJ003979	GSTCY 	C21H31N5O9S	529.1843	NA	PeJP	NA	NA
+MJ077731	Duborimycin 	C27H31NO10	529.194796	NA	MeJP	NA	NA
+MJ077732	Leucodaunomycin 	C27H31NO10	529.194796	NA	MeJP	NA	NA
+MJ077733	N-[1,3-Bis(methoxycarbonyl)propyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-hydroxymethyl-7-methoxy-5-benzofuranpropenamide 	C27H31NO10	529.194796	NA	MeJP	NA	NA
+C12430	13-Dihydrodaunorubicin	C27H31NO10	529.1948	NA	KEGG	NA	NA
+C12433	(13S)-13-Dihydrodaunorubicin	C27H31NO10	529.1948	NA	KEGG	NA	NA
+PJ003980	NEMH 	C20H31N7O8S	529.1955	NA	PeJP	NA	NA
+PJ003981	CNFF 	C25H31N5O6S	529.1995	NA	PeJP	NA	NA
+MJ077734	?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; ?-Pyranose-form, N-Ac 	C20H35NO15	529.200669	NA	MeJP	NA	NA
+MJ077735	?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?4)-L-rhamnose; N-Ac 	C20H35NO15	529.200669	NA	MeJP	NA	NA
+MJ077736	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; ?-Pyranose-form, N-Ac 	C20H35NO15	529.200669	NA	MeJP	NA	NA
+HMDB02060	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose	C20H35NO15	529.20068	http://www.hmdb.ca/metabolites/HMDB02060	HMDB	NA	NA
+HMDB06568	Lewis X trisaccharide	C20H35NO15	529.20068	http://www.hmdb.ca/metabolites/HMDB06568	HMDB	NA	NA
+HMDB06582	Lewis a trisaccharide	C20H35NO15	529.20068	http://www.hmdb.ca/metabolites/HMDB06582	HMDB	NA	NA
+HMDB02060	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose	C20H35NO15	529.20068	HMDB02060	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06568	Lewis X trisaccharide	C20H35NO15	529.20068	HMDB06568	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06582	Lewis a trisaccharide	C20H35NO15	529.20068	HMDB06582	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02060	O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose	C20H35NO15	529.200684	NA	HMDB2010	NA	NA
+HMDB06568	Lewis X trisaccharide	C20H35NO15	529.200684	NA	HMDB2010	NA	NA
+HMDB06582	Lewis a trisaccharide	C20H35NO15	529.200684	NA	HMDB2010	NA	NA
+PJ003982	SSSSY 	C21H31N5O11	529.202	NA	PeJP	NA	NA
+PJ003983	CDHR 	C19H31N9O7S	529.2067	NA	PeJP	NA	NA
+MJ077737	Desalicetin; 7-O-De-Me, 2'-(4-amino-2-hydroxybenzoyl) 	C23H35N3O9S	529.2094	NA	MeJP	NA	NA
+MJ077738	Desalicetin; N-De-Me, 2'-(4-amino-2-hydroxybenzoyl) 	C23H35N3O9S	529.2094	NA	MeJP	NA	NA
+PJ003984	GMHW 	C24H31N7O5S	529.2108	NA	PeJP	NA	NA
+MJ077739	Antibiotic SS 56C 	C19H35N3O14	529.211902	NA	MeJP	NA	NA
+PJ003985	GSTEH 	C20H31N7O10	529.2133	NA	PeJP	NA	NA
+MJ077740	Kapporphin 	C25H31N5O8	529.217262	NA	MeJP	NA	NA
+PJ003986	GQYY 	C25H31N5O8	529.2173	NA	PeJP	NA	NA
+PJ003987	GPPEM 	C22H35N5O8S	529.2207	NA	PeJP	NA	NA
+CJpos0817	Phenylacetylglutamine [(2M+H)]+ (13C)	C2513CH33N4O8	529.224775	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0817	Phenylacetylglutamine [(2M+H)]+ (13C)	C2513CH33N4O8	529.224775	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0641	Phenylacetylglutamine [(2M-H)]- (13C)	C2513CH31N4O8	529.225925	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0641	Phenylacetylglutamine [(2M-H)]- (13C)	C2513CH31N4O8	529.225925	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ003988	STHW 	C24H31N7O7	529.2285	NA	PeJP	NA	NA
+PJ003989	DKMH 	C21H35N7O7S	529.2319	NA	PeJP	NA	NA
+PJ003990	PPMW 	C26H35N5O5S	529.2359	NA	PeJP	NA	NA
+PJ003991	GPVEE 	C22H35N5O10	529.2384	NA	PeJP	NA	NA
+MJ077741	Malformin; Malformin A 	C23H39N5O5S2	529.23926	NA	MeJP	NA	NA
+MJ077742	Malformin; Malformin B1 	C23H39N5O5S2	529.23926	NA	MeJP	NA	NA
+MJ077743	Malformin; Malformin B3 	C23H39N5O5S2	529.23926	NA	MeJP	NA	NA
+MJ077744	Malformin; Malformin B4 	C23H39N5O5S2	529.23926	NA	MeJP	NA	NA
+MJ077745	Malformin; Malformin C 	C23H39N5O5S2	529.23926	NA	MeJP	NA	NA
+PJ003992	SMHR 	C20H35N9O6S	529.2431	NA	PeJP	NA	NA
+MJ077746	Naglivan 	C22H46N4O3S2V	529.245096	NA	MeJP	NA	NA
+PJ003993	SSSLH 	C21H35N7O9	529.2496	NA	PeJP	NA	NA
+PJ003994	PEER 	C21H35N7O9	529.2497	NA	PeJP	NA	NA
+MJ077747	Astin J; Me ester 	C26H35N5O7	529.253648	NA	MeJP	NA	NA
+PJ003995	PVEW 	C26H35N5O7	529.2537	NA	PeJP	NA	NA
+PJ003996	SPPVM 	C23H39N5O7S	529.257	NA	PeJP	NA	NA
+PJ003997	GSPNR 	C20H35N9O8	529.2609	NA	PeJP	NA	NA
+PJ003998	VQHF 	C25H35N7O6	529.2649	NA	PeJP	NA	NA
+MJ077748	Harringtonine; Homologue (n = 3), 5'-deoxy 	C29H39NO8	529.267567	NA	MeJP	NA	NA
+MJ077749	Hetisan-2,3,11,13,14-pentol, 2-O-(2-Methylbutanoyl), 3,14-di-Ac 	C29H39NO8	529.267567	NA	MeJP	NA	NA
+MJ077750	Hetisan-2,3,11,13,14-pentol, 2-O-(2-Methylbutanyl), 3,13-di-Ac 	C29H39NO8	529.267567	NA	MeJP	NA	NA
+MJ077751	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-(3-Pyridinecarbonyl), 20-Ac 	C29H39NO8	529.267567	NA	MeJP	NA	NA
+MJ077752	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Pyridinecarbonyl), 12-Ac 	C29H39NO8	529.267567	NA	MeJP	NA	NA
+C15559	Glycochenodeoxycholate 7-sulfate	C26H43NO8S	529.2709	NA	KEGG	NA	NA
+HMDB02409	N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO8S	529.270935	NA	HMDB2010	NA	NA
+HMDB02496	N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO8S	529.270935	NA	HMDB2010	NA	NA
+HMDB02497	Glycochenodeoxycholate-3-sulfate	C26H43NO8S	529.270935	NA	HMDB2010	NA	NA
+HMDB02409	N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO8S	529.27094	http://www.hmdb.ca/metabolites/HMDB02409	HMDB	NA	NA
+HMDB02496	N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO8S	529.27094	http://www.hmdb.ca/metabolites/HMDB02496	HMDB	NA	NA
+HMDB02497	glycochenodeoxycholate-3-sulfate	C26H43NO8S	529.27094	http://www.hmdb.ca/metabolites/HMDB02497	HMDB	NA	NA
+HMDB02409	N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO8S	529.27094	HMDB02409	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02496	N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO8S	529.27094	HMDB02496	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02497	glycochenodeoxycholate-3-sulfate	C26H43NO8S	529.27094	HMDB02497	PFEM_hmdb_metabocards_official	NA	NA
+PJ003999	APTLE 	C23H39N5O9	529.2748	NA	PeJP	NA	NA
+MJ077753	Haloperidol; Decanoyl 	C31H41ClFNO3	529.2759	NA	MeJP	NA	NA
+PJ004000	AHFR 	C24H35N9O5	529.2761	NA	PeJP	NA	NA
+MJ077754	N-[1-[[[[4-[[(Aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-4-[(aminoiminomethyl)amino]butyl]-?-phenylbenzeneacetamide 	C29H35N7O3	529.280138	NA	MeJP	NA	NA
+PJ004001	GPTQK 	C22H39N7O8	529.286	NA	PeJP	NA	NA
+MJ077755	Glycylprolylphenylalanylprolylisoleucine 	C27H39N5O6	529.290034	NA	MeJP	NA	NA
+MJ077756	Sativanine C 	C27H39N5O6	529.290034	NA	MeJP	NA	NA
+PJ004002	GPPLF 	C27H39N5O6	529.2901	NA	PeJP	NA	NA
+PJ004003	GPLLM 	C24H43N5O6S	529.2934	NA	PeJP	NA	NA
+PJ004004	VQQR 	C21H39N9O7	529.2973	NA	PeJP	NA	NA
+PJ004005	VKHF 	C26H39N7O5	529.3013	NA	PeJP	NA	NA
+PJ004006	AQRR 	C20H39N11O6	529.3085	NA	PeJP	NA	NA
+PJ004007	GVLLE 	C24H43N5O8	529.3112	NA	PeJP	NA	NA
+EUR710	LysoPE (20:1) [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR865	Lyso PE 20:1 [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR710	LysoPE (20:1) [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR865	Lyso PE 20:1 [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR710	LysoPE (20:1) [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR865	Lyso PE 20:1 [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR710	LysoPE (20:1) [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	Inhousejuil11	NA	NA
+EUR865	Lyso PE 20:1 [M+Na]+	C25H50NO7P	529.314438	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11493	LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))	C27H48NO7P	529.316833	NA	HMDB2010	NA	NA
+HMDB11523	LysoPE(22:4(7Z,10Z,13Z,16Z)/0:0)	C27H48NO7P	529.316833	NA	HMDB2010	NA	NA
+EUR681	Lyso PC 20:4 [M-H-CH3]-	C28H50NO7P	529.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR904	Lyso PE 22:4 monoisotopic mass 	C27H48NO7P	529.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR681	Lyso PC 20:4 [M-H-CH3]-	C28H50NO7P	529.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR904	Lyso PE 22:4 monoisotopic mass 	C27H48NO7P	529.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR681	Lyso PC 20:4 [M-H-CH3]-	C28H50NO7P	529.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR904	Lyso PE 22:4 monoisotopic mass 	C27H48NO7P	529.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR681	Lyso PC 20:4 [M-H-CH3]-	C28H50NO7P	529.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR904	Lyso PE 22:4 monoisotopic mass 	C27H48NO7P	529.316842	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004008	LLER 	C23H43N7O7	529.3224	NA	PeJP	NA	NA
+PJ004009	VLLW 	C28H43N5O5	529.3264	NA	PeJP	NA	NA
+PJ004010	VQKR 	C22H43N9O6	529.3337	NA	PeJP	NA	NA
+PJ004011	AKRR 	C21H43N11O5	529.3449	NA	PeJP	NA	NA
+PJ004012	ATLLL 	C25H47N5O7	529.3476	NA	PeJP	NA	NA
+MJ077757	Beauverolide A 	C30H47N3O5	529.351571	NA	MeJP	NA	NA
+PJ004013	AALKK 	C24H47N7O6	529.3588	NA	PeJP	NA	NA
+PJ004014	VKKR 	C23H47N9O5	529.37	NA	PeJP	NA	NA
+MJ077758	Veracintine; 3-O-?-L-Rhamnoside 	C32H51NO5	529.376723	NA	MeJP	NA	NA
+MJ077759	Ambruticin VS 5; N,N,N-Tri-Me, Me ester 	C32H52NO5(+)	529.376723	NA	MeJP	NA	NA
+C07556	Rocuronium	C32H53N2O4	529.4005	NA	KEGG	NA	NA
+3340	bradykinin	RPPGFSPFR	529.7735	MH2+	Inhouse_peptide	NA	peptide
+3101	beta-amyloid protein fragment:25-35	GSNKGAIIGLM	529.78065	MH2+	Inhouse_peptide	NA	peptide
+MJ077760	Pseudotetrafuhalol A 	C24H18O14	530.069655	NA	MeJP	NA	NA
+MJ077761	Tetrafuhalol A 	C24H18O14	530.069655	NA	MeJP	NA	NA
+MJ077762	Tetrafuhalol B 	C24H18O14	530.069655	NA	MeJP	NA	NA
+MJ077763	Tetrafuhalol D 	C24H18O14	530.069655	NA	MeJP	NA	NA
+MJ077764	Tetraphlorethol A; 2',4'''-Dihydroxy 	C24H18O14	530.069655	NA	MeJP	NA	NA
+MJ077765	dTDP-3-oxo-4,6-dideoxy-D-glucose 	C16H24N2O14P2	530.070276	NA	MeJP	NA	NA
+MJ077766	dTDP-4-oxo-2,6-dideoxy-D-glucose 	C16H24N2O14P2	530.070276	NA	MeJP	NA	NA
+MJ077767	dTDP-4-oxo-2,6-dideoxy-L-glucose 	C16H24N2O14P2	530.070276	NA	MeJP	NA	NA
+C06622	dTDP-4-oxo-2,6-dideoxy-L-glucose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+C11909	dTDP-3-oxo-4,6-dideoxy-D-glucose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+C11922	dTDP-4-oxo-2,6-dideoxy-D-glucose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+C11927	dTDP-4-oxo-2,6-dideoxy-L-mannose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+C11928	dTDP-4-oxo-2,6-dideoxy-D-allose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+C11932	dTDP-2,6-dideoxy-L-erythro-hexos-3-ulose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+C18029	dTDP-3-oxo-2,6-dideoxy-D-glucose	C16H24N2O14P2	530.0703	NA	KEGG	NA	NA
+MJ077768	Juglorubin 	C28H17O11(-)	530.084911	NA	MeJP	NA	NA
+MJ077769	Ustilaginoidin B 	C28H18O11	530.084911	NA	MeJP	NA	NA
+MJ077770	Xenoclauxin 	C28H18O11	530.084911	NA	MeJP	NA	NA
+MJ077771	4,6-Dichloro-5-methyl-1,3-benzenediol; 1-Me ether, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C20H28Cl2O12	530.095781	NA	MeJP	NA	NA
+MJ077772	Gulsamanin 	C25H22O13	530.10604	NA	MeJP	NA	NA
+MJ077773	Decursidinol, O,O-Bis(3-chloro-2-hydroxy-2-methylbutanoyl) 	C24H28Cl2O9	530.111037	NA	MeJP	NA	NA
+MJ077774	Antibiotic WS 79089B; ?-Lactone, 6-Ac 	C29H22O10	530.121296	NA	MeJP	NA	NA
+FL3FACGS0083	Luteolin 7-glucoside-4'-(Z-2-methyl-2-butenoate);7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-[3-hydroxy-4-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]phenyl]-4H-1-benzopyran-4-one	C26H26O12	530.14242	457624-79-2	knapsack	NA	NA
+FL3FADGS0018	Luteolin 3'-methyl ether 7-(6''-crotonylglucoside)	C26H26O12	530.14242	123656-61-1	knapsack	NA	NA
+MJ077775	2',3,4,4',5'-Pentahydroxylign-7-en-9,9'-olide, 3,4:4',5'-Bis(methylene) ether, 2'-O-?-D-glucopyranoside 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077776	3,4-Di-O-caffeoylquinic acid; 3''-Me ether 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077777	3,4-Di-O-caffeoylquinic acid; 3'-Me ether 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077778	3,4-Di-O-caffeoylquinic acid; Me ester 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077779	3,5-Di-O-caffeoylquinic acid; Me ester 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077780	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[6-O-(E)-2-Butenoyl-?-D-glucopyranoside] 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077781	7-Hydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside), Me ester 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077782	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C26H26O12	530.142426	NA	MeJP	NA	NA
+MJ077783	Seragakinone A 	C26H26O12	530.142426	NA	MeJP	NA	NA
+HMDB12242	Ketoconazole	C26H28Cl2N4O4	530.148743	NA	HMDB2010	NA	NA
+MJ077784	Ketoconazole 	C26H28Cl2N4O4	530.14876	NA	MeJP	NA	NA
+MetaCyc03782	ketoconazole [nizoral;(+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1- ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine;piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H- imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-;ketoconazol;ketoderm;fungarest;fungoral;ketoisdin;orifungal M;panfungol;]	C26H28N4O4CL2	530.148761	NA	metacyc	NA	NA
+PJ004015	CDMY 	C21H30N4O8S2	530.1505	NA	PeJP	NA	NA
+MJ077785	3,4',7-Trihydroxyflavan(4?6')-3,3',4',7-tetrahydroxyflavan 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077786	3,4',7-Trihydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3'''-Deoxy 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077787	3,4',7-Trihydroxyflavan(4?6)-3,3',4',7-tetrahydroxyflavan 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077788	3,4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'''-Deoxy 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077789	3,4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3''-Deoxy 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077790	3,4',7-Trihydroxyflavan(4?8)-3,3',4',7-tetrahydroxyflavan 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077791	4',7-Dihydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077792	4',7-Dihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O9	530.157682	NA	MeJP	NA	NA
+MJ077793	Ezomycin A2 	C19H26N6O12	530.16087	NA	MeJP	NA	NA
+MJ077794	Pikuroside 	C23H30O14	530.163555	NA	MeJP	NA	NA
+MJ077795	Formadicins; Formadicin C 	C24H26N4O10	530.164893	NA	MeJP	NA	NA
+MJ077796	4-(Methylthio)-2-propyl-1-[[2'-[[[(propylamino)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid 	C25H30N4O5S2	530.165761	NA	MeJP	NA	NA
+PJ004016	CMMF 	C22H34N4O5S3	530.1692	NA	PeJP	NA	NA
+MJ077797	6,8'-Dihydroxy-2,2'-bis(2-phenylethyl)[5,5'-bi-4H-1-benzopyran]-4,4'-dione 	C34H26O6	530.172938	NA	MeJP	NA	NA
+C17749	Curcumin monoglucoside	C27H30O11	530.1788	NA	KEGG	NA	NA
+FL3FCACS0031	Isoswertisin 2''-O-(2'''-methylbutyrate)	C27H30O11	530.17881	681152-39-6	knapsack	NA	NA
+FL3FCACS0032	Isoswertisin 3''-O-(2'''-methylbutyrate)	C27H30O11	530.17881	681152-40-9	knapsack	NA	NA
+FL5FABGI0002	Icariside I	C27H30O11	530.17881	56725-99-6	knapsack	NA	NA
+FL5FAEGI0001	8-Prenylquercetin 4'-methyl ether 3-rhamnoside;Caohuoside C;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C27H30O11	530.17881	164178-23-8	knapsack	NA	NA
+MJ077798	3',4',5',7-Tetrahydroxy-6-prenylflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077799	3,3',4',5,7-Pentahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077800	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-D-glucopyranoside 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077801	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 7-O-?-D-glucopyranoside 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077802	Geniposidic acid; 10-(5-Phenyl-2,4-pentadienoyl) (E,E-) 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077803	Mutactimycin A; 3'-O-De-Me 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077804	Mutactimycin C 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077805	Phyllamyricoside B; 9'-Deoxy 	C27H30O11	530.178811	NA	MeJP	NA	NA
+MJ077806	Steffimycin; 9-Demethoxy, 7-deoxo 	C27H30O11	530.178811	NA	MeJP	NA	NA
+PJ004017	DEMH 	C20H30N6O9S	530.1795	NA	PeJP	NA	NA
+PJ004018	CDFF 	C25H30N4O7S	530.1835	NA	PeJP	NA	NA
+MJ077807	?-D-Mannopyranosyl-(1?4)-?-D-mannopyranosyl-(1?3)-L-rhamnose; ?-Pyranose-form, 3'-Ac 	C20H34O16	530.184685	NA	MeJP	NA	NA
+MJ077808	?-D-Galactopyranosyl-(1?6)-?-D-mannopyranosyl-(1?4)-L-rhamnose; ?-Pyranose-form, 6''-Ac 	C20H34O16	530.184685	NA	MeJP	NA	NA
+PJ004019	SMMY 	C22H34N4O7S2	530.1869	NA	PeJP	NA	NA
+PJ004020	GSCQH 	C19H30N8O8S	530.1908	NA	PeJP	NA	NA
+FL2F18NC0001	Eriosemaone C;(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone	C31H30O8	530.19406	168010-15-9	knapsack	NA	NA
+MJ077809	Artonin Q 	C31H30O8	530.194067	NA	MeJP	NA	NA
+MJ077810	Deacylschiarisanrin; 10-Cinnamoyl(E-) 	C31H30O8	530.194067	NA	MeJP	NA	NA
+MJ077811	Eriosemaone C 	C31H30O8	530.194067	NA	MeJP	NA	NA
+MJ077812	Phenazostatin B 	C32H26N4O4	530.195405	NA	MeJP	NA	NA
+PJ004021	GPNDE 	C20H30N6O11	530.1973	NA	PeJP	NA	NA
+PJ004022	GEYY 	C25H30N4O9	530.2013	NA	PeJP	NA	NA
+7944	synthetic peptide	YYW	530.205	antioxidative	Inhouse_peptide	NA	peptide
+7962	synthetic peptide	WYY	530.205	antioxidative	Inhouse_peptide	NA	peptide
+7964	synthetic peptide	YWY	530.205	antioxidative	Inhouse_peptide	NA	peptide
+MJ077813	Colabomycin A 	C30H30N2O7	530.205301	NA	MeJP	NA	NA
+PJ004023	SSSNH 	C19H30N8O10	530.2085	NA	PeJP	NA	NA
+PJ004024	PNDW 	C24H30N6O8	530.2125	NA	PeJP	NA	NA
+MJ077814	Eurypamide A 	C24H30N6O8	530.212511	NA	MeJP	NA	NA
+MJ077815	4,4',9'-Trihydroxy-3,5'-dimethoxy-8,3'-neolignan, Tetra-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077816	6-Keto-7-nomilol 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077817	Carapolide F 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077818	Gomisin D 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077819	Isonimbinolide; 22?-Alcohol, 20-ketone, O6-de-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077820	Isonimbinolide; O6-De-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077821	Kihadanin A; 21-Ketone(lactone), 23?-alcohol, 7?-alcohol, 7-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077822	Kihadanin A; 7?-Alcohol, 7-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077823	Nimbin; 21,23-Dihydro, 21-oxo, 23?-hydroxy, O-de-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077824	Nimbin; 21,23-Dihydro, 23-oxo, 21?-hydroxy, O-de-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+MJ077825	Rutaevin; 6?-Alcohol, 7-Ac 	C28H34O10	530.215197	NA	MeJP	NA	NA
+PJ004025	SPPCQ 	C21H34N6O8S	530.2159	NA	PeJP	NA	NA
+PJ004026	YYW 	C29H30N4O6	530.2165	NA	PeJP	NA	NA
+PJ004027	AMFY 	C26H34N4O6S	530.2199	NA	PeJP	NA	NA
+PJ004028	NNHF 	C23H30N8O7	530.2238	NA	PeJP	NA	NA
+C03470	3-alpha(S)-Strictosidine	C27H34N2O9	530.2264	NA	KEGG	NA	NA
+MJ077826	Glabratine 	C27H34N2O9	530.22643	NA	MeJP	NA	NA
+MJ077827	Strictosidine 	C27H34N2O9	530.22643	NA	MeJP	NA	NA
+MJ077828	Tetrahydroalstonine; 9-O-?-D-Glucopyranosyloxy 	C27H34N2O9	530.22643	NA	MeJP	NA	NA
+MJ077829	3-alpha(S)-Strictosidine 	C27H34N2O9	530.22643	NA	MeJP	NA	NA
+MetaCyc03783	strictosidine [3-&alpha;(S)-strictosidine;]	C27H34N2O9	530.226431	20824-29-7	metacyc	NA	NA
+MetaCyc03784	strictosidine [3-&alpha;(S)-strictosidine;]	C27H34N2O9	530.226431	NA	metacyc	NA	NA
+CJneg0642	Phenylacetylglutamine [(2M-H)]- (18O)	C26H31N4O718O	530.226825	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0642	Phenylacetylglutamine [(2M-H)]- (18O)	C26H31N4O718O	530.226825	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ004029	GSCKH 	C20H34N8O7S	530.2271	NA	PeJP	NA	NA
+CJpos0818	Phenylacetylglutamine [(2M+H)]+ (13C2)	C2413C2H33N4O8	530.228175	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0818	Phenylacetylglutamine [(2M+H)]+ (13C2)	C2413C2H33N4O8	530.228175	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ077830	1-(Aminoiminomethyl)-N-[[1-[3-hydroxy-2-[(1-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl]methyl]-3-piperidinecarboxamide 	C25H34N6O5S	530.231138	NA	MeJP	NA	NA
+MJ077831	Bistratamide D 	C25H34N6O5S	530.231138	NA	MeJP	NA	NA
+PJ004030	PMHF 	C25H34N6O5S	530.2312	NA	PeJP	NA	NA
+PJ004031	GPTQE 	C21H34N6O10	530.2337	NA	PeJP	NA	NA
+PJ004032	LMMH 	C22H38N6O5S2	530.2345	NA	PeJP	NA	NA
+PJ004033	THHH 	C22H30N10O6	530.235	NA	PeJP	NA	NA
+PJ004034	SVYY 	C26H34N4O8	530.2377	NA	PeJP	NA	NA
+MJ077832	Vincamajine; O-(3,4-Dimethoxybenzoyl) 	C31H34N2O6	530.241686	NA	MeJP	NA	NA
+PJ004035	GSPDR 	C20H34N8O9	530.2449	NA	PeJP	NA	NA
+7713	NA	AWQSLQSGW~	530.248	MH2+	Inhouse_peptide	NA	peptide
+PJ004036	PTQW 	C25H34N6O7	530.2489	NA	PeJP	NA	NA
+MJ077833	11,16:15,16-Diepoxy-4,6,7,13,18-pentahydroxy-1-clerodanone, 7-Cinnamoyl (E-) 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077834	11,16:15,16-Diepoxy-4,6,7,13,18-pentahydroxy-1-clerodanone, 7-Cinnamoyl(Z-) 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077835	14,15-Epoxy-4-isocedrene-3,8,14,15-tetrol, 3,8-Diangeloyl,14,15-di-Ac 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077836	8,13-Epoxy-3,4,6,11-tetrahydroxy-15,16-clerodanolide, 6-Benzoyl, 11-Ac 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077837	CAMT 2 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077838	EP1 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077839	Elaeodendroside D; 11?-Hydroxy 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077840	Elaeodendroside R 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077841	Entilin A; 2-Ac 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077842	Entilin D 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077843	Gomisin Q; 7-Angeloyl 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077844	Gomphoside; 19-Oxo, 3'-ketone 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077845	Gomphoside; 19-Oxo, 5,6-didehydro 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077846	Gomphoside; 3'-Epimer, 19-oxo, 5,6-didehydro 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077847	Gomphoside; 3'-Epimer, 19-oxo, 7,8-didehydro 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077848	Humistratin 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077849	Miotoxin B 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077850	Miotoxin D; 2',3'-Didehydro 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077851	Roridin D 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077852	Roridin E; 6',13'-Diepimer, 7?,8?-epoxide 	C29H38O9	530.251582	NA	MeJP	NA	NA
+MJ077853	Roridin L2 	C29H38O9	530.251582	NA	MeJP	NA	NA
+C08883	Uscharidin	C29H38O9	530.2516	NA	KEGG	NA	NA
+PJ004037	GPVQM 	C22H38N6O7S	530.2523	NA	PeJP	NA	NA
+PJ004038	AFFF 	C30H34N4O5	530.2529	NA	PeJP	NA	NA
+PJ004039	NNQR 	C19H34N10O8	530.2561	NA	PeJP	NA	NA
+PJ004040	GGGGGAR 	C19H34N10O8	530.2562	NA	PeJP	NA	NA
+3456	PEP inhibitor	LSPFWNINA	530.26085	MH2+	Inhouse_peptide	NA	peptide
+MJ077854	Ajmaline; 17-Ac, 21-O-?-D-glucopyranoside 	C28H38N2O8	530.262816	NA	MeJP	NA	NA
+MJ077855	Antibiotic C 33196E6 	C28H38N2O8	530.262816	NA	MeJP	NA	NA
+MJ077856	Antibiotic C 33196E7 	C28H38N2O8	530.262816	NA	MeJP	NA	NA
+MJ077857	Herbimycin B 	C28H38N2O8	530.262816	NA	MeJP	NA	NA
+PJ004041	PQMR 	C21H38N8O6S	530.2635	NA	PeJP	NA	NA
+MJ077858	Nemorosinic acid A 	C33H38O6	530.266838	NA	MeJP	NA	NA
+PJ004042	SSPLQ 	C22H38N6O9	530.27	NA	PeJP	NA	NA
+PJ004043	GPTKE 	C22H38N6O9	530.2701	NA	PeJP	NA	NA
+MJ077859	11,15,16,17-Tetrahydroxy-19-kauranoic acid, ?-D-Glucopyranosyl ester 	C26H42O11	530.272712	NA	MeJP	NA	NA
+MJ077860	16,17-Dihydroxy-2,3-seco-2,3-kauranedioic acid, 17-O-?-D-Glucopyranoside 	C26H42O11	530.272712	NA	MeJP	NA	NA
+MJ077861	Cinncassiol D1; 4?-Hydroxy, 19-O-?-D-glucopyranoside 	C26H42O11	530.272712	NA	MeJP	NA	NA
+PJ004044	PCRR 	C20H38N10O5S	530.2748	NA	PeJP	NA	NA
+MJ077862	Chaetoglobosin A; 19-Epimer, 21,22-dihydro 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+MJ077863	Chaetoglobosin A; 20S-Alcohol 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+MJ077864	Chaetoglobosin A; 21,22-Dihydro 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+MJ077865	Chaetoglobosin B; 19-Epimer, 21,22-dihydro 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+MJ077866	Chaetoglobosin B; 21,22-Dihydro 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+MJ077867	Chaetoglobosin D; 21,22-Dihydro, 19-ketone, 20?-alcohol 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+MJ077868	Cortivazol 	C32H38N2O5	530.278072	NA	MeJP	NA	NA
+PJ004045	VQER 	C21H38N8O8	530.2813	NA	PeJP	NA	NA
+PJ004046	PTKW 	C26H38N6O6	530.2853	NA	PeJP	NA	NA
+MJ077869	2,6,10,14-Phytatetraene-1,16-diol, Bis(2-methylfumaroyl) 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077870	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077871	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077872	3,7,12,23-Tetrahydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid, 7-Ketone 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077873	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 3-Ketone 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077874	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Tigloyl, 13-(2-methylbutanoyl) 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077875	7,20-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077876	7,8-Epoxy-3,20-dihydroxy-12,15,23-trioxo-9(11),16-lanostadien-26-oic acid, 12?-Alcohol 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077877	8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide, 3-O-?-D-Digitaloside 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077878	9,12,13,17-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl), 17-Ac 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077879	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl), 20-Ac 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077880	Cochlioquinone A; 21,22-Didehydro(Z-) 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077881	Kihadalactone B 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077882	Micareic acid; 3-Methoxy 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077883	Nic 2; 17-Deoxy, 17-epimer, 16?-acetoxy 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077884	Physapubescin 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077885	Resiniferonol; 6?,7?-Epoxide, 14-(2E,4E-decadienoyl) 	C30H42O8	530.287968	NA	MeJP	NA	NA
+MJ077886	Withacnistin; 2,3-Dihydro, 3?-hydroxy 	C30H42O8	530.287968	NA	MeJP	NA	NA
+PJ004047	GPVKM 	C23H42N6O6S	530.2887	NA	PeJP	NA	NA
+MJ077887	Cholest-22-ene-3,6,8,15,24-pentol, 15-Sulfate 	C27H46O8S	530.291339	NA	MeJP	NA	NA
+PJ004048	AERR 	C20H38N10O7	530.2925	NA	PeJP	NA	NA
+PJ004049	GLRW 	C25H38N8O5	530.2965	NA	PeJP	NA	NA
+PJ004050	PKMR 	C22H42N8O5S	530.2999	NA	PeJP	NA	NA
+PJ004051	AALKE 	C23H42N6O8	530.3064	NA	PeJP	NA	NA
+MJ077888	2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol, 1-Sulfate 	C31H46O5S	530.306595	NA	MeJP	NA	NA
+MJ077889	2-Polyprenyl-1,4-benzenediol; 2-Pentaprenyl-1,4-benzenediol, 4-Sulfate 	C31H46O5S	530.306595	NA	MeJP	NA	NA
+MJ077890	1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H46O10	530.309097	NA	MeJP	NA	NA
+MJ077891	Murolic acid, O-?-D-Glucopyranoside 	C27H46O10	530.309097	NA	MeJP	NA	NA
+C11992	L-Oleandrosyl-oleandolide	C27H46O10	530.3091	NA	KEGG	NA	NA
+C17615	Kukoamine A	C28H42N4O6	530.3104	NA	KEGG	NA	NA
+C17616	Kukoamine B	C28H42N4O6	530.3104	NA	KEGG	NA	NA
+C17617	Kukoamine C	C28H42N4O6	530.3104	NA	KEGG	NA	NA
+C17618	Kukoamine D	C28H42N4O6	530.3104	NA	KEGG	NA	NA
+MJ077892	Chlamydocin; Deepoxy, 6'R,7'R-diol 	C28H42N4O6	530.310435	NA	MeJP	NA	NA
+MJ077893	Kukoamine A 	C28H42N4O6	530.310435	NA	MeJP	NA	NA
+PJ004052	VKER 	C22H42N8O7	530.3177	NA	PeJP	NA	NA
+PJ004053	VVKW 	C27H42N6O5	530.3217	NA	PeJP	NA	NA
+MJ077894	24,25-Epoxy-17(24)-scalarene-12,16,25-triol, Tri-Ac 	C31H46O7	530.324353	NA	MeJP	NA	NA
+MJ077895	3,14-Dihydroxycard-20(22)-enolide, 3-O-(7-Carboxyheptanoyl) 	C31H46O7	530.324353	NA	MeJP	NA	NA
+MJ077896	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 12-Tigloyl, 11-(2-methylbutanoyl) 	C31H46O7	530.324353	NA	MeJP	NA	NA
+MJ077897	Amphidinolide A 	C31H46O7	530.324353	NA	MeJP	NA	NA
+MJ077898	Fusilactidic acid 	C31H46O7	530.324353	NA	MeJP	NA	NA
+MJ077899	Milbemycin ?1; 6S-Hydroxy, 28-deoxy, 5-O-de-Me 	C31H46O7	530.324353	NA	MeJP	NA	NA
+PJ004054	SLRR 	C21H42N10O6	530.3289	NA	PeJP	NA	NA
+MJ077900	Ageline B 	C31H43N6O2(+)	530.336924	NA	MeJP	NA	NA
+FL1DA9NR0006	Neolinderatin	C35H46O4	530.3396	120217-41-6	knapsack	NA	NA
+FL1DA9NR0013	(-)-Neolinderatin;[1S-[1alpha(1R*,6R*),6beta]]-3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-1-propanone	C35H46O4	530.3396	196089-61-9	knapsack	NA	NA
+MJ077901	Neolinderatin 	C35H46O4	530.339609	NA	MeJP	NA	NA
+PJ004055	GTLLK 	C24H46N6O7	530.3428	NA	PeJP	NA	NA
+PJ004056	QKKK 	C23H46N8O6	530.354	NA	PeJP	NA	NA
+PJ004057	GAKKK 	C23H46N8O6	530.3541	NA	PeJP	NA	NA
+MJ077902	12,16-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl) 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077903	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12-Ketone, 16-O-(3-hydroxypentanoyl) 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077904	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-Propanoyl, 12-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077905	12,16-Dihydroxy-20,24-dimethyl-25-nor-17-scalaren-24-one, 12-(3-Acetoxybutanoyl) 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077906	13,28-Epoxy-3,16,22-trihydroxy-30-oleanal, 22-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077907	17,24:20,24-Diepoxydammarane-3,12,25-triol, 3-Ketone, 12-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077908	2,3,19-Trihydroxy-12-ursen-28-oic acid, 2-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077909	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077910	2,3,23-Trihydroxy-12-ursen-28-oic acid, 2-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077911	2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077912	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, Di-Me ester 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077913	21,23-Epoxy-7,21,24,25-tetrahydroxy-1,14-apotirucalladien-3-one, 21,25-Di-Me ether 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077914	21,24-Epoxy-1,3,21-trihydroxycycloart-25-en-28-oic acid, 21-Me ether, Me ester 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077915	24,25-Epoxy-11,12,23-trihydroxy-13(17)-protosten-3-one, 23-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077916	24,25-Epoxy-3,11,23-trihydroxyprotost-13(17)-en-2-one, 23-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077917	3,19:24,25-Diepoxydammar-20(22)-ene-3,11,23-triol, 11-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077918	3,25-Epoxy-12-ursene-3,21,22,28-tetrol, 28-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077919	4,4'-[1,4-Phenylenebis(oxy-6,1-hexanediyl)]bis-3,5-heptanedione 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077920	5,6-Epoxy-3,11-dihydroxyergost-22-en-1-one, 22,23-Dihydro, di-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077921	6,21,22,28-Tetrahydroxy-12-oleanen-3-one, 28-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077922	Alisol B; 16?-Hydroxy, 23-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077923	Alisol D 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077924	Cimigenol; 25-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077925	Glabretal 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077926	Glutinopallal; O5-Hexadecanoyl 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077927	Ingenol; 3-Dodecanoyl 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077928	Raspacionin B 	C32H50O6	530.360739	NA	MeJP	NA	NA
+MJ077929	Toosendantriol; 21-Ac 	C32H50O6	530.360739	NA	MeJP	NA	NA
+PJ004058	KKKK 	C24H50N8O5	530.3904	NA	PeJP	NA	NA
+MJ077930	Anhydroescholtzxanthin 	C40H50	530.391251	NA	MeJP	NA	NA
+MJ077931	Tethyanin 	C40H50	530.391251	NA	MeJP	NA	NA
+MJ077932	Tethyatene 	C40H50	530.391251	NA	MeJP	NA	NA
+MJ077933	3,22-Dihydroxy-29-hopanoic acid, 3-Ac, Me ester 	C33H54O5	530.397124	NA	MeJP	NA	NA
+MJ077934	?-Tocopherol; 3-Carboxypropanoyl 	C33H54O5	530.397124	NA	MeJP	NA	NA
+MJ077935	5,20-Dipropyl-1,16-dioxa-4,19-diazacyclotriaconta-7,10,22,25-tetraene-15,30-dione 	C32H54N2O4	530.408358	NA	MeJP	NA	NA
+MJ077936	12-Oleanen-3-ol, Benzoyl 	C37H54O2	530.41238	NA	MeJP	NA	NA
+MJ077937	20(29)-Lupen-3-ol, Benzoyl 	C37H54O2	530.41238	NA	MeJP	NA	NA
+MJ077938	20-Taraxasten-3-ol, Benzoyl 	C37H54O2	530.41238	NA	MeJP	NA	NA
+MJ077939	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Tetracosyl ester 	C34H58O4	530.43351	NA	MeJP	NA	NA
+MJ077940	1-(4-Hydroxyphenyl)-24-methoxy-5-propyl-1-pentacosanone 	C35H62O3	530.469895	NA	MeJP	NA	NA
+MJ077941	2-Alkenyl-4,6-dimethoxyphenols; 2-(18-Heptacosenyl)-4,6-dimethoxyphenol 	C35H62O3	530.469895	NA	MeJP	NA	NA
+MJ077942	3-(4-Hydroxyphenyl)-1-propanol; 1-Hexacosanoyl 	C35H62O3	530.469895	NA	MeJP	NA	NA
+MJ077943	5-Alkenyl-2,6-dimethoxyphenols; 4-(18-Heptacosenyl)-2,6-dimethoxyphenol 	C35H62O3	530.469895	NA	MeJP	NA	NA
+MJ077944	Epomuricenin B 	C35H62O3	530.469895	NA	MeJP	NA	NA
+MJ077945	Epoxymurin A 	C35H62O3	530.469895	NA	MeJP	NA	NA
+MJ077946	Sabadelin 	C35H62O3	530.469895	NA	MeJP	NA	NA
+C08484	Epoxymurin-A	C35H62O3	530.4699	NA	KEGG	NA	NA
+MJ077947	15,22-Heptatriacontadien-2-one 	C37H70O	530.542666	NA	MeJP	NA	NA
+MJ077948	8,28-Heptatriacontadien-2-one 	C37H70O	530.542666	NA	MeJP	NA	NA
+MJ077949	Heptanitrosyltri-?3-thioxotetraferrate(1-) 	Fe4N7O7S3(-)	530.649725	NA	MeJP	NA	NA
+MJ077950	Keronopsin B1; 17-Bromo, O-sulfate 	C18H15Br2NO6S	530.898683	NA	MeJP	NA	NA
+HMDB06911	CDP-diacylglycerol	C14H19N3O15P2	531.02911	http://www.hmdb.ca/metabolites/HMDB06911	HMDB	NA	NA
+HMDB06911	CDP-diacylglycerol	C14H19N3O15P2	531.02911	HMDB06911	PFEM_hmdb_metabocards_official	NA	NA
+C04297	CDP-4-dehydro-3,6-dideoxy-D-glucose	C15H23N3O14P2	531.0655	NA	KEGG	NA	NA
+C04298	Citrate (pro-3S)-lyase (thiol form)	HSR	531.0655	NA	KEGG	NA	NA
+C17326	CDP-4-dehydro-3,6-dideoxy-D-glucose epimer	C15H23N3O14P2	531.0655	NA	KEGG	NA	NA
+MJ077951	CDP-4-dehydro-3,6-dideoxy-D-glucose 	C15H23N3O14P2	531.065525	NA	MeJP	NA	NA
+MetaCyc03785	CDP-4-dehydro-3,6-dideoxy-D-glucose []	C15H23N3O14P2	531.065525	NA	metacyc	NA	NA
+PJ004059	TCCCC 	C16H29N5O7S4	531.095	NA	PeJP	NA	NA
+C11910	dTDP-3-amino-3,4,6-trideoxy-D-glucose	C16H27N3O13P2	531.1019	NA	KEGG	NA	NA
+C12443	dTDP-beta-L-daunosamine	C16H27N3O13P2	531.1019	NA	KEGG	NA	NA
+C18030	dTDP-2,6-dideoxy-D-kanosamine	C16H27N3O13P2	531.1019	NA	KEGG	NA	NA
+C18092	dTDP-L-ristosamine	C16H27N3O13P2	531.1019	NA	KEGG	NA	NA
+MJ077952	dTDP-3-amino-3,4,6-trideoxy-D-glucose 	C16H27N3O13P2	531.101911	NA	MeJP	NA	NA
+PJ004060	GCCCF 	C20H29N5O6S3	531.128	NA	PeJP	NA	NA
+MJ077953	Ezomycin B2 	C19H25N5O13	531.144885	NA	MeJP	NA	NA
+PJ004061	GSCCY 	C20H29N5O8S2	531.1458	NA	PeJP	NA	NA
+MJ077954	4-Methoxyoxohernandaline 	C29H25NO9	531.152931	NA	MeJP	NA	NA
+MJ077955	Lamellarin H; 7-Hydroxy, 5,6-dihydro, 8,9,12,21-tetra-Me ether 	C29H25NO9	531.152931	NA	MeJP	NA	NA
+MJ077956	Lamellarin H; 7-Hydroxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether 	C29H25NO9	531.152931	NA	MeJP	NA	NA
+MJ077957	Neoacrimarine F 	C29H25NO9	531.152931	NA	MeJP	NA	NA
+MJ077958	N-Acetyl-D-galactosaminyldiphosphoundecaprenol 	C19H35NO12P2	531.163448	NA	MeJP	NA	NA
+MJ077959	2-Hydroxy-2-phenylacetonitrile, O-[5-O-Benzoyl-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H29NO11	531.17406	NA	MeJP	NA	NA
+MJ077960	Isorhoeagenine; O-?-D-Glucopyranoside 	C26H29NO11	531.17406	NA	MeJP	NA	NA
+MJ077961	Oxaunomycin; 1-Hydroxy 	C26H29NO11	531.17406	NA	MeJP	NA	NA
+PJ004062	GSCEH 	C19H29N7O9S	531.1748	NA	PeJP	NA	NA
+MJ077962	Terconazole 	C26H31Cl2N5O3	531.180395	NA	MeJP	NA	NA
+C08080	Terconazole	C26H31Cl2N5O3	531.1804	NA	KEGG	NA	NA
+C08081	Transferred to D00889	C26H31Cl2N5O3	531.1804	NA	KEGG	NA	NA
+PJ004063	GPDDE 	C20H29N5O12	531.1813	NA	PeJP	NA	NA
+PJ004064	SCHW 	C23H29N7O6S	531.19	NA	PeJP	NA	NA
+PJ004065	SSSDH 	C19H29N7O11	531.1925	NA	PeJP	NA	NA
+PJ004066	NMMH 	C20H33N7O6S2	531.1934	NA	PeJP	NA	NA
+PJ004067	PDDW 	C24H29N5O9	531.1966	NA	PeJP	NA	NA
+MJ077963	Butropium(1+), Bromide 	C28H38BrNO4	531.198421	NA	MeJP	NA	NA
+MJ077964	Phaseolotoxin 	C15H34N9O8PS	531.198866	NA	MeJP	NA	NA
+PJ004068	SPPCE 	C21H33N5O9S	531.1999	NA	PeJP	NA	NA
+PJ004069	GNNNN 	C18H29N9O10	531.2038	NA	PeJP	NA	NA
+MJ077965	Denticin B 	C26H33N3O7S	531.203921	NA	MeJP	NA	NA
+PJ004070	NDHF 	C23H29N7O8	531.2078	NA	PeJP	NA	NA
+PJ004071	GSTMH 	C20H33N7O8S	531.2112	NA	PeJP	NA	NA
+PJ004072	GPTEE 	C21H33N5O11	531.2177	NA	PeJP	NA	NA
+PJ004073	GPPMM 	C22H37N5O6S2	531.2185	NA	PeJP	NA	NA
+MJ077966	5-(1,3-Benzodioxol-5-yl)-2-butyl-7-[2-(2-carboxypropyl)-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid 	C31H33NO7	531.225702	NA	MeJP	NA	NA
+MJ077967	Staudine 	C31H33NO7	531.225702	NA	MeJP	NA	NA
+PJ004074	SSTTH 	C20H33N7O10	531.2289	NA	PeJP	NA	NA
+CJneg0643	Phenylacetylglutamine [(2M-H)]- (13C+18O)	C2513CH31N4O718O	531.230125	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0643	Phenylacetylglutamine [(2M-H)]- (13C+18O)	C2513CH31N4O718O	531.230125	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ004075	PTEW 	C25H33N5O8	531.2329	NA	PeJP	NA	NA
+MJ077968	Asterin A 	C25H33N5O8	531.232913	NA	MeJP	NA	NA
+MJ077969	Asterinin A 	C25H33N5O8	531.232913	NA	MeJP	NA	NA
+PJ004076	GPVEM 	C22H37N5O8S	531.2363	NA	PeJP	NA	NA
+PJ004077	NNER 	C19H33N9O9	531.2401	NA	PeJP	NA	NA
+PJ004078	GGNER 	C19H33N9O9	531.2402	NA	PeJP	NA	NA
+MJ077970	2-[[2-[[2-[(2-Amino-3-mercaptopropyl)amino]-3-methylpentyl]oxy]-1-oxo-3-phenylpropyl]amino]-4-(methylsulfonyl)butanoic acid; Me ester 	C24H41N3O6S2	531.243677	NA	MeJP	NA	NA
+PJ004079	AQQW 	C24H33N7O7	531.2442	NA	PeJP	NA	NA
+C10597	Harringtonine	C28H37NO9	531.2468	NA	KEGG	NA	NA
+MJ077971	2-Hydroxy-1-hydroxymethylpyrrolizidine, O2-Angeloyl, O1'-[?-L-rhamnopyranosyl-(?4)-4-hydroxycinnamoyl] 	C28H37NO9	531.246831	NA	MeJP	NA	NA
+MJ077972	Drupangtonine 	C28H37NO9	531.246831	NA	MeJP	NA	NA
+MJ077973	Harringtonine 	C28H37NO9	531.246831	NA	MeJP	NA	NA
+MJ077974	Isoharringtonine 	C28H37NO9	531.246831	NA	MeJP	NA	NA
+MJ077975	Nargenicin B2 	C28H37NO9	531.246831	NA	MeJP	NA	NA
+MJ077976	Nargenicin B3 	C28H37NO9	531.246831	NA	MeJP	NA	NA
+PJ004080	PEMR 	C21H37N7O7S	531.2475	NA	PeJP	NA	NA
+PJ004081	PVMW 	C26H37N5O5S	531.2516	NA	PeJP	NA	NA
+PJ004082	AALEE 	C22H37N5O10	531.2541	NA	PeJP	NA	NA
+PJ004083	GNRW 	C23H33N9O6	531.2554	NA	PeJP	NA	NA
+MJ077977	1-[6-[[2-(1-Cyclopentyl-1H-indol-3-yl)ethyl]amino]-9H-purin-9-yl]-N-cyclopropyl-1-deoxy-?-D-ribofuranuronamide 	C28H33N7O4	531.259402	NA	MeJP	NA	NA
+MJ077978	Cytochalasin K 	C32H37NO6	531.262087	NA	MeJP	NA	NA
+7321	celiac sprue gluten epitope from gamma-gliadin	PQPQQQLPQ	531.265	MH2+	Inhouse_peptide	NA	peptide
+7324	celiac sprue gluten epitope from gamma-gliadin	PQQQIPQPQ	531.265	MH2+	Inhouse_peptide	NA	peptide
+7325	celiac sprue gluten epitope from gamma-gliadin	PQQQLPQPQ	531.265	MH2+	Inhouse_peptide	NA	peptide
+7335	celiac sprue gluten epitope from gamma-gliadin	QQPQQPLPQ	531.265	MH2+	Inhouse_peptide	NA	peptide
+7385	celiac sprue gluten epitope found in hordein	QQPLPQQPQ	531.265	MH2+	Inhouse_peptide	NA	peptide
+7395	celiac sprue gluten epitope found in hordein*	QQPIPQQPQ	531.265	MH2+	Inhouse_peptide	NA	peptide
+PJ004084	VEER 	C21H37N7O9	531.2653	NA	PeJP	NA	NA
+PJ004085	VVEW 	C26H37N5O7	531.2693	NA	PeJP	NA	NA
+PJ004086	APTLM 	C23H41N5O7S	531.2727	NA	PeJP	NA	NA
+PJ004087	NDKR 	C20H37N9O8	531.2765	NA	PeJP	NA	NA
+PJ004088	AQKW 	C25H37N7O6	531.2805	NA	PeJP	NA	NA
+PJ004089	GAAKW 	C25H37N7O6	531.2806	NA	PeJP	NA	NA
+MJ077979	3,8,14,15,16,18-Hexahydroxypregnan-20-one, O18-(2-Methylaminobenzoyl) 	C29H41NO8	531.283217	NA	MeJP	NA	NA
+MJ077980	Pregnane-3,8,12,14,17,20-hexol, 20-O-(3-Pyridinecarbonyl), 12-Ac 	C29H41NO8	531.283217	NA	MeJP	NA	NA
+PJ004090	GPCKK 	C22H41N7O6S	531.2839	NA	PeJP	NA	NA
+MJ077981	Waltherine C 	C30H37N5O4	531.284554	NA	MeJP	NA	NA
+PJ004091	SNRR 	C19H37N11O7	531.2878	NA	PeJP	NA	NA
+MJ077982	Implitapide 	C35H37N3O2	531.288577	NA	MeJP	NA	NA
+PJ004092	PTTTL 	C23H41N5O9	531.2904	NA	PeJP	NA	NA
+PJ004093	GTLLE 	C23H41N5O9	531.2905	NA	PeJP	NA	NA
+PJ004094	QKKE 	C22H41N7O8	531.3017	NA	PeJP	NA	NA
+PJ004095	TLLW 	C27H41N5O6	531.3057	NA	PeJP	NA	NA
+PJ004096	GVLLM 	C24H45N5O6S	531.3091	NA	PeJP	NA	NA
+PJ004097	TQKR 	C21H41N9O7	531.3129	NA	PeJP	NA	NA
+PJ004098	AKKW 	C26H41N7O5	531.3169	NA	PeJP	NA	NA
+PJ004099	LLMR 	C23H45N7O5S	531.3203	NA	PeJP	NA	NA
+HMDB00590	Glutarylglycine	C25H53NO5Si3	531.32312	http://www.hmdb.ca/metabolites/HMDB00590	HMDB	NA	NA
+HMDB00590	Glutarylglycine	C25H53NO5Si3	531.32312	HMDB00590	PFEM_hmdb_metabocards_official	NA	NA
+PJ004100	SSLLL 	C24H45N5O8	531.3268	NA	PeJP	NA	NA
+EUR705	Lyso PE (20:0) [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR860	Lyso PE 20:0 [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR705	Lyso PE (20:0) [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR860	Lyso PE 20:0 [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR705	Lyso PE (20:0) [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR860	Lyso PE 20:0 [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR705	Lyso PE (20:0) [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	Inhousejuil11	NA	NA
+EUR860	Lyso PE 20:0 [M+Na]+	C25H52NO7P	531.330088	masses lipides attendues	Inhousejuil11	NA	NA
+EUR761	Lyso PC 20:3 [M-H-CH3]-	C28H52NO7P	531.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR761	Lyso PC 20:3 [M-H-CH3]-	C28H52NO7P	531.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR761	Lyso PC 20:3 [M-H-CH3]-	C28H52NO7P	531.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR761	Lyso PC 20:3 [M-H-CH3]-	C28H52NO7P	531.332492	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004101	KKKE 	C23H45N7O7	531.3381	NA	PeJP	NA	NA
+MJ077983	AAL Toxin; AAL Toxin TA1, 4,5-Dideoxy, N-Ac 	C27H49NO9	531.340732	NA	MeJP	NA	NA
+MJ077984	AAL Toxin; AAL Toxin TA2, 4,5-Dideoxy, N-Ac 	C27H49NO9	531.340732	NA	MeJP	NA	NA
+PJ004102	TKKR 	C22H45N9O6	531.3493	NA	PeJP	NA	NA
+MJ077985	Mitiphylline 	C31H49NO6	531.355988	NA	MeJP	NA	NA
+MJ077986	Tetraiodoethylene 	C2I4	531.617873	NA	MeJP	NA	NA
+MJ077987	3,5-Dibromo-4-chloro-2-(2,4-dibromophenoxy)phenol 	C12H5Br4ClO2	531.671157	NA	MeJP	NA	NA
+7386	celiac sprue gluten epitope found in hordein	QQPNPQQPQ	531.74445	MH2+	Inhouse_peptide	NA	peptide
+7376	celiac sprue gluten epitope found in hordein	QEPIPQQPQ	531.757	MH2+	Inhouse_peptide	NA	peptide
+MJ077988	8-[(3-Nitrobenzoyl)amino]-1,3,5-naphthalenetrisulfonic acid 	C17H12N2O12S3	531.955235	NA	MeJP	NA	NA
+MJ077989	Dichlorobis(1,10-phenanthroline-N1,N10)ruthenium(II) 	C24H16Cl2N4Ru	531.979551	NA	MeJP	NA	NA
+MJ077990	Tetrafucol A; 5'-Chloro 	C24H17ClO12	532.040853	NA	MeJP	NA	NA
+MJ077991	Xanthone 411P 	C27H16O12	532.064175	NA	MeJP	NA	NA
+MJ077992	Cefsulodin 	C22H20N4O8S2	532.072255	NA	MeJP	NA	NA
+C11253	Cefsulodin	C22H20N4O8S2	532.0723	NA	KEGG	NA	NA
+C11920	dTDP-L-olivose	C16H26N2O14P2	532.0859	NA	KEGG	NA	NA
+C11923	dTDP-D-olivose	C16H26N2O14P2	532.0859	NA	KEGG	NA	NA
+C12446	dTDP-D-oliose	C16H26N2O14P2	532.0859	NA	KEGG	NA	NA
+MJ077993	Ambewelamide A 	C24H24N2O8S2	532.097407	NA	MeJP	NA	NA
+MJ077994	Scabrosine; 4'-Butanoyl, 4-Ac 	C24H24N2O8S2	532.097407	NA	MeJP	NA	NA
+MJ077995	Ustilaginoidin B; 2,3-Dihydro 	C28H20O11	532.100561	NA	MeJP	NA	NA
+MJ077996	Dethiosecoemestrin 	C27H20N2O10	532.111794	NA	MeJP	NA	NA
+MJ077997	2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 3,6-Dibenzoyl 	C32H20O8	532.115817	NA	MeJP	NA	NA
+MJ077998	Napyradiomycin B4 	C25H31Cl3O6	532.118621	NA	MeJP	NA	NA
+MJ077999	1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 	C25H20F4N4O3S	532.119224	NA	MeJP	NA	NA
+MJ078000	3',4',6,7-Tetrahydroxyaurone; 6-O-(4,6-Di-O-acetyl-?-D-glucopyranoside) 	C25H24O13	532.12169	NA	MeJP	NA	NA
+MJ078001	4',5-Dihydroxy-7-methoxyflavone; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C25H24O13	532.12169	NA	MeJP	NA	NA
+MJ078002	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C25H24O13	532.12169	NA	MeJP	NA	NA
+MJ078003	Isoorientin; 2'',6''-Di-Ac 	C25H24O13	532.12169	NA	MeJP	NA	NA
+MJ078004	Isoquercitrin; 6''-O-(2-Butenoyl) 	C25H24O13	532.12169	NA	MeJP	NA	NA
+MJ078005	Maackiain, O-(6'-O-Malonyl-?-D-glucopyranoside) 	C25H24O13	532.12169	NA	MeJP	NA	NA
+MJ078006	Orientin; 2'',6''-Di-Ac 	C25H24O13	532.12169	NA	MeJP	NA	NA
+FL1A3CGS0004	6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside)	C25H24O13	532.12169	-	knapsack	NA	NA
+FL1A3CGS0010	Bidenoside A;6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',6''-di-O-acetylglucoside);Maritimetin 6-O-(3'',6''-di-O-acetylglucoside)	C25H24O13	532.12169	698392-68-6	knapsack	NA	NA
+FL3FACCS0011	Orientin 2'',6''-diacetate	C25H24O13	532.12169	131507-99-8	knapsack	NA	NA
+FL3FACCS0012	Isoorientin 2'',6''-diacetate;2'',6''-Di-O-acetylisoorientin	C25H24O13	532.12169	131507-98-7	knapsack	NA	NA
+FL3FCAGS0003	Apigenin 7-methyl ether 5-(6''-malonylglucoside)	C25H24O13	532.12169	130733-29-8	knapsack	NA	NA
+FL5FAAGS0112	Kaempferol 3-(3'',4''-diacetylglucoside)	C25H24O13	532.12169	-	knapsack	NA	NA
+FLIAABGS0006	Bichanin A 7-O-glucoside-6''-malonate	C25H24O13	532.12169	34232-17-2	knapsack	NA	NA
+MetaCyc03786	(-)-maackiain-3-O-glucoside-6''-malonate [trifolirhizin-6''-O-malonat;]	C25H24O13	532.121691	NA	metacyc	NA	NA
+MetaCyc03787	biochanin A 7-O-(6-O-malonyl-&beta;-D-glucoside) [Biochanin A 7-O-&beta;-D-glucoside 6''-O-malonate;]	C25H24O13	532.121691	NA	metacyc	NA	NA
+MetaCyc03788	biochanin A-7-O-glucoside-6''-malonate []	C25H24O13	532.121691	NA	metacyc	NA	NA
+C12625	Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)	C25H24O13	532.1217	NA	KEGG	NA	NA
+C16197	Malonylglycitin	C25H24O13	532.1217	NA	KEGG	NA	NA
+C16231	(-)-Maackiain-3-O-glucosyl-6''-O-malonate	C25H24O13	532.1217	NA	KEGG	NA	NA
+MJ078007	Cephalochromin; 3-Me 	C29H24O10	532.136946	NA	MeJP	NA	NA
+MJ078008	Trichotomine 	C30H20N4O6	532.138284	NA	MeJP	NA	NA
+C09247	Trichotomine	C30H20N4O6	532.1383	NA	KEGG	NA	NA
+MJ078009	Sakyomicin E 	C26H28O10S	532.140317	NA	MeJP	NA	NA
+MJ078010	4-Amino-6-[(2-amino-1,6-dimethylpyrimidinium-4-yl)amino]-1,2-dimethylquinolinium(2+); Bis(methyl sulfate) 	C19H28N6O8S2	532.141003	NA	MeJP	NA	NA
+MJ078011	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 5-Me ether, 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C22H28O15	532.14282	NA	MeJP	NA	NA
+MJ078012	5,7,8-Trihydroxy-2H-1-benzopyran-2-one; 7-Me ether, 5-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C22H28O15	532.14282	NA	MeJP	NA	NA
+PJ004103	GCCNH 	C18H28N8O7S2	532.1523	NA	PeJP	NA	NA
+FL3FA9GM0001	5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside	C26H28O12	532.15807	-	knapsack	NA	NA
+FL3FACCS0063	Orientin 2''-O-(2'''-methylbutyrate)	C26H28O12	532.15807	681152-44-3	knapsack	NA	NA
+FL3FACGS0066	Luteolin 7-[6''-(2-methylbutyryl)glucoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C26H28O12	532.15807	144599-14-4	knapsack	NA	NA
+FL3FFAGS0017	Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl ester	C26H28O12	532.15807	351223-96-6	knapsack	NA	NA
+MJ078013	2,3,3',4,4'-Pentahydroxylign-7-en-9,9'-olide, 3,4-Methylene, 3'-Me ether, 2-O-?-D-glucopyranoside 	C26H28O12	532.158076	NA	MeJP	NA	NA
+MJ078014	3',4',5,7-Tetrahydroxyflavone; 7-O-[2-Methylbutanoyl-(?6)-?-D-glucopyranoside] 	C26H28O12	532.158076	NA	MeJP	NA	NA
+MJ078015	4',5,7-Trihydroxyisoflavone; 7-O-[Xylosyl-(1??)-glucoside] 	C26H28O12	532.158076	NA	MeJP	NA	NA
+MJ078016	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-?-D-Glucuronopyranoside, butyl ester 	C26H28O12	532.158076	NA	MeJP	NA	NA
+MJ078017	Antibiotic MM 44787 	C26H28O12	532.158076	NA	MeJP	NA	NA
+MJ078018	Justisolin; O-?-D-Glucopyranoside 	C26H28O12	532.158076	NA	MeJP	NA	NA
+MJ078019	Leptostachyol; Ac 	C26H28O12	532.158076	NA	MeJP	NA	NA
+C04068	Flavonol 3-O-D-xylosylglucoside	C26H28O12	532.1581	NA	KEGG	NA	NA
+C04069	Flavonol 3-O-D-xylosylglycoside	C26H28O12	532.1581	NA	KEGG	NA	NA
+C04193	Flavonol 3-O-D-xylosylgalactoside	C26H28O12	532.1581	NA	KEGG	NA	NA
+FL1C1LNI0005	Isogemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone	C30H28O9	532.17333	376590-14-6	knapsack	NA	NA
+FL1C1LNI0006	Gemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-2,4,2',4'-tetrahydroxychalcone	C30H28O9	532.17333	238750-50-0	knapsack	NA	NA
+FL1CAANP0004	4-Hydroxyrottlerin	C30H28O9	532.17333	24593-75-7	knapsack	NA	NA
+MJ078020	Gemichalcone C 	C30H28O9	532.173332	NA	MeJP	NA	NA
+MJ078021	Gnetifolin M 	C30H28O9	532.173332	NA	MeJP	NA	NA
+MJ078022	Gnetifolin O 	C30H28O9	532.173332	NA	MeJP	NA	NA
+MJ078023	Gnetuhainin I 	C30H28O9	532.173332	NA	MeJP	NA	NA
+MJ078024	Gnetuhainin P 	C30H28O9	532.173332	NA	MeJP	NA	NA
+MJ078025	Orientalin 	C30H28O9	532.173332	NA	MeJP	NA	NA
+MJ078026	Rottlerin; 4-Hydroxy 	C30H28O9	532.173332	NA	MeJP	NA	NA
+PJ004104	DMMH 	C20H32N6O7S2	532.1774	NA	PeJP	NA	NA
+PJ004105	GNNND 	C18H28N8O11	532.1878	NA	PeJP	NA	NA
+MJ078027	Maculalactone I; 5-Ketone 	C34H28O6	532.188588	NA	MeJP	NA	NA
+PJ004106	DDHF 	C23H28N6O9	532.1918	NA	PeJP	NA	NA
+FL5FABGI0016	Icaritin 3-rhamnoside	C27H32O11	532.19446	108195-76-2	knapsack	NA	NA
+MJ078028	2,3:4,5-Diepoxy-8,13,14-trihydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(4-hydroxy-3-methyl-2E-butenoyl), 13-Ac 	C27H32O11	532.194461	NA	MeJP	NA	NA
+MJ078029	3,4:10,14-Diepoxy-2,8-dihydroxy-11(13)-guaien-12,6-olide, 8-O-[2-[(2-Hydroxymethyl-2E-butenoyloxy)methyl]-2E-butenoyl], 2-Ac 	C27H32O11	532.194461	NA	MeJP	NA	NA
+MJ078030	Boronialatenolide 	C27H32O11	532.194461	NA	MeJP	NA	NA
+MJ078031	Loganic acid; 8-Epimer, 7-O-(5-phenyl-2,4-pentadienoyl)(E,E-) 	C27H32O11	532.194461	NA	MeJP	NA	NA
+MJ078032	Phyllamyricoside C 	C27H32O11	532.194461	NA	MeJP	NA	NA
+PJ004107	GPNDM 	C20H32N6O9S	532.1952	NA	PeJP	NA	NA
+PJ004108	CHHH 	C21H28N10O5S	532.1965	NA	PeJP	NA	NA
+MJ078033	Maysine; N-De-Me 	C27H33ClN2O7	532.197629	NA	MeJP	NA	NA
+MJ078034	?-[[4-[[(1,4-Dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-1H-tetrazole-5-butanoic acid 	C26H25FN8O4	532.198279	NA	MeJP	NA	NA
+PJ004109	GMYY 	C25H32N4O7S	532.1992	NA	PeJP	NA	NA
+MJ078035	Tricordatine; N2-De-Me, 1,2-Didehydro 	C33H28N2O5	532.199822	NA	MeJP	NA	NA
+MJ078036	Gossypol, 6-Me ether 	C31H32O8	532.209718	NA	MeJP	NA	NA
+MJ078037	Isogomisin O; 3-O-De-Me, 7-O-E-cinnamoyl 	C31H32O8	532.209718	NA	MeJP	NA	NA
+PJ004110	PCQW 	C24H32N6O6S	532.2104	NA	PeJP	NA	NA
+PJ004111	QQEE 	C20H32N6O11	532.2129	NA	PeJP	NA	NA
+PJ004112	STYY 	C25H32N4O9	532.2169	NA	PeJP	NA	NA
+MJ078038	Minovincinine, O-(3-Methoxy-4,5-methylenedioxybenzoyl) 	C30H32N2O7	532.220951	NA	MeJP	NA	NA
+PJ004113	NDER 	C19H32N8O10	532.2242	NA	PeJP	NA	NA
+PJ004114	AQEW 	C24H32N6O8	532.2282	NA	PeJP	NA	NA
+C08767	12alpha-Hydroxyamoorstatin	C28H36O10	532.2308	NA	KEGG	NA	NA
+MJ078039	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1-(2,3-Epoxycinnamoyl), 2,9-di-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078040	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6-tri-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078041	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 2,6,14-tri-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078042	1,4,6,8,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078043	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,8,9-tri-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078044	1,4,6,9,15-Pentahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9,15-tri-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078045	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078046	2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2,3-Di-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078047	Amoorastatone; 12?-Hydroxy 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078048	Amoorstatin; 12?-Hydroxy 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078049	Austalide B; 19?-Acetoxy 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078050	Austalide B; 19?-Hydroxy, 13-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078051	Esulatin E 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078052	Nomilinic acid 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078053	Xenione; 20-Acetoxy 	C28H36O10	532.230847	NA	MeJP	NA	NA
+MJ078054	Xylarin; 4'-O-De-Me, 4'-Ac 	C28H36O10	532.230847	NA	MeJP	NA	NA
+PJ004115	GPTQM 	C21H36N6O8S	532.2316	NA	PeJP	NA	NA
+PJ004116	GFFY 	C29H32N4O6	532.2322	NA	PeJP	NA	NA
+MJ078055	Syndyphalin 25 	C26H36N4O6S	532.235555	NA	MeJP	NA	NA
+PJ004117	GDRW 	C23H32N8O7	532.2394	NA	PeJP	NA	NA
+PJ004118	GPTCR 	C20H36N8O7S	532.2428	NA	PeJP	NA	NA
+PJ004119	AAWW 	C28H32N6O5	532.2434	NA	PeJP	NA	NA
+PJ004120	PCKW 	C25H36N6O5S	532.2468	NA	PeJP	NA	NA
+MetaCyc03789	L-alanyl-D-glutamyl-meso-2,6-diaminoheptane-D-alanyl-D-alanine [pentapeptide;]	C21H36N6O10	532.249291	NA	metacyc	NA	NA
+PJ004121	QKEE 	C21H36N6O10	532.2493	NA	PeJP	NA	NA
+MJ078056	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C25H40O12	532.251976	NA	MeJP	NA	NA
+3980	ACE inhibitor	VAGTW	532.252	ACE inhibitor	Inhouse_peptide	NA	peptide
+3397	ACE inhibitor (fr, of b-casein, 140-143)	LQSW	532.253	celiac toxic	Inhouse_peptide	NA	peptide
+MJ078057	Seredamine; O-(3,4,5-Trimethyloxybenzoyl) 	C31H36N2O6	532.257336	NA	MeJP	NA	NA
+PJ004122	TQER 	C20H36N8O9	532.2605	NA	PeJP	NA	NA
+PJ004123	GATER 	C20H36N8O9	532.2606	NA	PeJP	NA	NA
+PJ004124	AKEW 	C25H36N6O7	532.2646	NA	PeJP	NA	NA
+C08854	Calactin	C29H40O9	532.2672	NA	KEGG	NA	NA
+C08855	Calotropin	C29H40O9	532.2672	NA	KEGG	NA	NA
+C09716	Roridin A	C29H40O9	532.2672	NA	KEGG	NA	NA
+MJ078058	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-(4,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078059	3,5,14,19-Tetrahydroxycarda-16,20(22)-dienolide, 19-Aldehyde, 3-O-?-D-digitoxoside 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078060	3,5,14-Trihydroxy-19-oxocarda-6,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078061	3-Hydroxy-19-oxocarda-14,20(22)-dienolide, 3-O-?-D-Glucopyranoside 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078062	Elaeodendroside S 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078063	Gomphoside; 15?-Hydroxy, 5,6-didehydro 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078064	Gomphoside; 19-Oxo 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078065	Gomphoside; 3'-Epimer, 19-oxo 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078066	Ingol; 12-Tigloyl, 3,7-di-Ac 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078067	Ingol; 7-Tigloyl, 3,12-di-Ac 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078068	Ingol; 8-Tigloyl, 3,12-di-Ac 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078069	Miotoxin D 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078070	Roridin A 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078071	Trichoverrol A; 15-O-(E-5-Hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078072	Trichoverrol A; 15-O-(E-5-Hydroxy-3-methyl-3-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078073	Trichoverrol A; 2'E,4'Z-Isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078074	Trichoverrol A; 2'E-Isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078075	Trichoverrol A; 6',7'-Diepimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078076	Trichoverrol A; 6'-Epimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078077	Trichoverrol A; 7'-Epimer, 15-O-(E-5-Hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078078	Trichoverrol A; 7'-Epimer, 2'E,4'Z-isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+MJ078079	Trichoverrol A; 7'-Epimer, 2'E-isomer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O9	532.267232	NA	MeJP	NA	NA
+PJ004125	GPTKM 	C22H40N6O7S	532.2679	NA	PeJP	NA	NA
+PJ004126	GGGVLM 	C22H40N6O7S	532.268	NA	PeJP	NA	NA
+MJ078080	1-[2-(Dimethylamino)-1-oxo-3-phenylpropyl]-2,3,3a,13a,14,15,16,18a-octahydro-8-methoxy-5,9-metheno-9H-dipyrrolo[3,2-b:1',2'-e][1,5,8]oxadiazacyclopentadecine-13,18(1H,12H)-dione 	C30H36N4O5	532.26857	NA	MeJP	NA	NA
+PJ004127	SDRR 	C19H36N10O8	532.2718	NA	PeJP	NA	NA
+PJ004128	ATRW 	C24H36N8O6	532.2758	NA	PeJP	NA	NA
+MJ078081	Antibiotic C 33196E4 	C28H40N2O8	532.278466	NA	MeJP	NA	NA
+MJ078082	Antibiotic C 33196E6R 	C28H40N2O8	532.278466	NA	MeJP	NA	NA
+MJ078083	Antibiotic C 33196E7R 	C28H40N2O8	532.278466	NA	MeJP	NA	NA
+PJ004129	VQMR 	C21H40N8O6S	532.2792	NA	PeJP	NA	NA
+8198	f(92-100) of bovine b-lactoglobulin 	VLVLDTDYK	532.2809	MH2+	Inhouse_peptide	NA	peptide
+MJ078084	Hanburin 	C33H40O6	532.282489	NA	MeJP	NA	NA
+C08185	Triamcinolone hexacetonide	C30H41FO7	532.2836	NA	KEGG	NA	NA
+MJ078085	Triamcinolone; 16,17-Acetone ketal, 21-(3,3-dimethylbutanoyl) 	C30H41FO7	532.283631	NA	MeJP	NA	NA
+PJ004130	KKEE 	C22H40N6O9	532.2857	NA	PeJP	NA	NA
+PJ004131	AMRR 	C20H40N10O5S	532.2904	NA	PeJP	NA	NA
+PJ004132	TKER 	C21H40N8O8	532.2969	NA	PeJP	NA	NA
+PJ004133	SLKW 	C26H40N6O6	532.3009	NA	PeJP	NA	NA
+PJ004134	VTKW 	C26H40N6O6	532.301	NA	PeJP	NA	NA
+C08801	Cucurbitacin J	C30H44O8	532.3036	NA	KEGG	NA	NA
+C09185	Simplexin	C30H44O8	532.3036	NA	KEGG	NA	NA
+MJ078086	18,19-Epoxy-3,12,14-clerodatriene-2,7,18,19-tetrol, 7,19-Dibutanoyl, 18-Ac 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078087	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-Me ether, 2-(2-methylbutanoyl), 18,19-di-Ac 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078088	2,16,20,24,25-Pentahydroxycucurbit-5-ene-3,11,22-trione, 2-Ketone 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078089	2,3,14-Trihydroxycarda-16,20(22)-dienolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside] 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078090	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,15,22-trione 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078091	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-ribo-hexopyranoside) 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078092	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078093	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-D-Digitaloside 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078094	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[3-O-Methyl-?-L-rhamnopyranoside] 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078095	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-D-glucopyranoside] 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078096	3,14-Dihydroxycarda-4,20(22)-dienolide, 3-(3-O-Methyl-L-rhamnoside) 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078097	3,7,12,23-Tetrahydroxy-11,15-dioxolanosta-8,24-dien-26-oic acid 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078098	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078099	3,7,20-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078100	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(2-Methylpropanoyl), 2,5,10-tri-Ac 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078101	5,6,14,17,20-Pentahydroxy-1-oxowitha-2,24-dienolide, 5-Et ether 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078102	Cerleaside A 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078103	Cochlioquinone A 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078104	Gnidilatin; De(benzoyloxy) 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078105	Isocochlioquinone A 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078106	Kraussianin; 28-Deoxy, 3-debenzoyl, 3-ketone 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078107	Kraussianin; 3-Debenzoyloxy, 3-oxo, 28-deoxy 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078108	Lurlenic acid 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078109	Oleagenin; D-Digitaloside 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078110	Pseudolarolide I 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078111	Thevetiogenin; 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H44O8	532.303618	NA	MeJP	NA	NA
+MJ078112	Thevetiogenin; 3-O-[3-O-Methyl-?-L-rhamnopyranoside] 	C30H44O8	532.303618	NA	MeJP	NA	NA
+PJ004135	AALKM 	C23H44N6O6S	532.3043	NA	PeJP	NA	NA
+MJ078113	Nummularine G 	C31H40N4O4	532.304955	NA	MeJP	NA	NA
+MJ078114	5beta-Cyprinolsulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078115	Cholestane-3,5,6,15,16-pentol, 16-Sulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078116	Cholestane-3,5,6,15,24-pentol, 15-Sulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078117	Cholestane-3,5,6,15,26-pentol, 26-Sulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078118	Cholestane-3,6,8,15,24-pentol, 24-Sulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078119	Cholestane-3,6,8,15,24-pentol, 6-Sulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078120	Cholestane-3,7,11,26,27-pentol, 26-Sulfate (25R-) 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078121	Cholestane-3,7,11,26,27-pentol, 26-Sulfate (25S-) 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078122	Cholestane-3,7,12,26,27-pentol, 26-O-Sulfate (25R-) 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078123	Cholestane-3,7,12,26,27-pentol, 26-O-Sulfate (25S-) 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+MJ078124	Cholestane-3,7,12,26,27-pentol, 26-O-Sulfate 	C27H48O8S	532.306989	NA	MeJP	NA	NA
+C05468	5beta-Cyprinolsulfate	C27H48O8S	532.307	NA	KEGG	NA	NA
+HMDB06888	5b-Cyprinol sulfate	C27H48O8S	532.307007	NA	HMDB2010	NA	NA
+HMDB06888	5b-Cyprinol sulfate	C27H48O8S	532.30701	http://www.hmdb.ca/metabolites/HMDB06888	HMDB	NA	NA
+HMDB06888	5b-Cyprinol sulfate	C27H48O8S	532.30701	HMDB06888	PFEM_hmdb_metabocards_official	NA	NA
+PJ004136	TTRR 	C20H40N10O7	532.3082	NA	PeJP	NA	NA
+PJ004137	VKMR 	C22H44N8O5S	532.3156	NA	PeJP	NA	NA
+MJ078125	Antibiotic IC 202B 	C23H44N6O8	532.322062	NA	MeJP	NA	NA
+PJ004138	ATTLK 	C23H44N6O8	532.3221	NA	PeJP	NA	NA
+C17713	dl-alpha-Tocopheryl sodium phosphate	C29H50NaO5P	532.3294	NA	KEGG	NA	NA
+MJ078126	1,3,24-Trihydroxycycloart-25-ene-21,28-dioic acid, 28-Me ester 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078127	1,3,25-Trihydroxy-21-oxocycloart-23-en-28-oic acid, 25-Hydroperoxide, Me ester 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078128	2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid, 23-Me ester 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078129	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 30-Me ester 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078130	3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid, 23-Carboxylic acid, 23-Me ester 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078131	4,16,18,22-Tetrahydroxycholest-4-en-3-one, 16,18-Di-Ac 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078132	5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Aldehyde, 5-O-(16-hydroxy-9Z-hexadecenoyl) 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078133	Cabraleahydroxylactone; 17?-Hydroxy, 12?-acetoxy, 3-Ac 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078134	Cephalosporin P1; 6-Deacetyl 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078135	Viburnol G 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078136	Viburnol I 	C31H48O7	532.340003	NA	MeJP	NA	NA
+MJ078137	Antibiotic M 9026; Antibiotic M 9026-3 	C30H48N2O6	532.351237	NA	MeJP	NA	NA
+MJ078138	Kazinol C; O3''-(3-Methyl-2-butenyl) 	C35H48O4	532.35526	NA	MeJP	NA	NA
+MJ078139	Buxaminol I; N20-Me, N3-benzoyl, 16-Ac 	C34H48N2O3	532.366493	NA	MeJP	NA	NA
+MJ078140	11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 24-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078141	11,23,24,25-Tetrahydroxyprotost-13(17)-en-3-one, 23-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078142	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-O-(3-Hydroxypentanoyl) 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078143	12,16-Dihydroxy-20,24-dimethyl-25-nor-24-scalaranone, 16-(3-Hydroxybutanoyl), 12-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078144	12-Oleanene-3,16,21,22,28-pentol, 28-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078145	12-Ursene-1,2,3,11,20-pentol, 3-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078146	13,28-Epoxy-3,16,22,28-oleananetetrol, 22-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078147	17,24:20,24-Diepoxydammarane-3,12,25-triol, 12-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078148	17,24:20,24-Diepoxydammarane-3,12,25-triol, 3-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078149	21,23-Epoxydammar-9(11)-ene-3,7,21,25-tetrol, 3-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078150	3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 3-Propanoyl 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078151	6,16,22-Trihydroxy-24-hopanoic acid, 6-Ac 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078152	Antibiotic FD 892 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078153	Aphananin 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078154	Chisocheton compound B 	C32H52O6	532.376389	NA	MeJP	NA	NA
+MJ078155	Dictyostatin 1 	C32H52O6	532.376389	NA	MeJP	NA	NA
+C15908	Chlorobactene	C40H52	532.4069	NA	KEGG	NA	NA
+C16340	beta-Isorenieratene	C40H52	532.4069	NA	KEGG	NA	NA
+MJ078156	3,3',4,4'-Tetradehydro-?,?-carotene 	C40H52	532.406901	NA	MeJP	NA	NA
+MJ078157	Agelaxanthin A; Deoxy 	C40H52	532.406901	NA	MeJP	NA	NA
+MJ078158	Chlorobactene 	C40H52	532.406901	NA	MeJP	NA	NA
+MJ078159	3,11-Dihydroxy-7-drimen-6-one, 3-Deoxy, 7?,8?-epoxy, 11-(6-oxooctadecanoyl) 	C33H56O5	532.412774	NA	MeJP	NA	NA
+MJ078160	5,20-Dipropyl-1,16-dioxa-4,19-diazacyclotriaconta-7,10,22,25-tetraene-15,30-dione; 7,8-Dihydro 	C32H56N2O4	532.424008	NA	MeJP	NA	NA
+C05802	2-Hexaprenyl-6-methoxyphenol	C37H56O2	532.428	NA	KEGG	NA	NA
+HMDB06817	2-Hexaprenyl-6-methoxyphenol	C37H56O2	532.42804	http://www.hmdb.ca/metabolites/HMDB06817	HMDB	NA	NA
+HMDB06817	2-Hexaprenyl-6-methoxyphenol	C37H56O2	532.42804	HMDB06817	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06817	2-Hexaprenyl-6-methoxyphenol	C37H56O2	532.42804	NA	HMDB2010	NA	NA
+MJ078161	1-Tricosene-4,6,8,10,12,14,20-heptol, Hepta-Me ether 	C30H60O7	532.433904	NA	MeJP	NA	NA
+MJ078162	16,17,19-Kauranetriol, 19-Tetradecanoyl 	C34H60O4	532.44916	NA	MeJP	NA	NA
+MJ078163	Reticulatamol; 15-Ketone 	C35H64O3	532.485545	NA	MeJP	NA	NA
+MJ078164	9-Octadecenyl 9-octadecenoate 	C36H68O2	532.521931	NA	MeJP	NA	NA
+MJ078165	28-Heptatriaconten-2-one 	C37H72O	532.558316	NA	MeJP	NA	NA
+7310	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQPQ	532.754	MH2+	Inhouse_peptide	NA	peptide
+7364	celiac sprue gluten epitope found in hordein	PQPFPQQPQ	532.754	MH2+	Inhouse_peptide	NA	peptide
+2897	neuropeptide from eyestalk of Macrobrachium rosenb	TNRNFLRF~	532.7854	MH2+	Inhouse_peptide	NA	peptide
+PJ004139	CCCCC 	C15H27N5O6S5	533.0565	NA	PeJP	NA	NA
+MJ078166	CDP-3,6-dideoxy-D-glucose 	C15H25N3O14P2	533.081175	NA	MeJP	NA	NA
+MJ078167	CDP-3,6-dideoxy-D-mannose 	C15H25N3O14P2	533.081175	NA	MeJP	NA	NA
+MetaCyc03790	CDP-abequose [CDPabequose;]	C15H25N3O14P2	533.081176	NA	metacyc	NA	NA
+MetaCyc03791	CDP-3,6-dideoxy-D-mannose [4-amino-1-[5-[[[(3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl) oxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxymethyl]-3,4- dihydroxy-tetrahydrofuran-2-yl]-1H-pyrimidin-2-one;]	C15H25N3O14P2	533.081176	NA	metacyc	NA	NA
+MetaCyc03792	CDP-3,6-dideoxy-D-glucose [4-amino-1-[5-[[[(3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl) oxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxymethyl]-3,4- dihydroxy-tetrahydrofuran-2-yl]-1H-pyrimidin-2-one;]	C15H25N3O14P2	533.081176	NA	metacyc	NA	NA
+C01788	CDP-abequose	C15H25N3O14P2	533.0812	NA	KEGG	NA	NA
+C03598	CDP-3,6-dideoxy-D-glucose	C15H25N3O14P2	533.0812	NA	KEGG	NA	NA
+C03599	CDP-3,6-dideoxy-D-mannose	C15H25N3O14P2	533.0812	NA	KEGG	NA	NA
+C17327	CDP-ascarylose	C15H25N3O14P2	533.0812	NA	KEGG	NA	NA
+PJ004140	GCCDH 	C18H27N7O8S2	533.1363	NA	PeJP	NA	NA
+C17752	cyclo-Dopa-glucuronylglucoside	C21H27NO15	533.1381	NA	KEGG	NA	NA
+PJ004141	PPCCD 	C20H31N5O8S2	533.1614	NA	PeJP	NA	NA
+PJ004142	GNNDD 	C18H27N7O12	533.1718	NA	PeJP	NA	NA
+PJ004143	GSCMH 	C19H31N7O7S2	533.1727	NA	PeJP	NA	NA
+PJ004144	GPDDM 	C20H31N5O10S	533.1792	NA	PeJP	NA	NA
+MJ078168	Alangiside; ?8a,12a-Isomer, 13,13a-didehydro, 9R-methoxy 	C26H31NO11	533.18971	NA	MeJP	NA	NA
+MJ078169	Alangiside; ?8a,12a-Isomer, 13,13a-didehydro, 9S-methoxy 	C26H31NO11	533.18971	NA	MeJP	NA	NA
+PJ004145	SSTCH 	C19H31N7O9S	533.1904	NA	PeJP	NA	NA
+PJ004146	PCEW 	C24H31N5O7S	533.1944	NA	PeJP	NA	NA
+MJ078170	Lysodectose 	C19H35NO16	533.195584	NA	MeJP	NA	NA
+PJ004147	QEEE 	C20H31N5O12	533.1969	NA	PeJP	NA	NA
+PJ004148	AADEE 	C20H31N5O12	533.197	NA	PeJP	NA	NA
+PJ004149	SPPCM 	C21H35N5O7S2	533.1978	NA	PeJP	NA	NA
+MetaCyc03793	curcumin monoglucoside []	C27H33O11	533.202287	NA	metacyc	NA	NA
+MJ078171	Astin E; 1'''-Deoxy 	C25H32ClN5O6	533.204111	NA	MeJP	NA	NA
+MJ078172	Rocaglatic acid; 1-Ac, methylamide 	C30H31NO8	533.204966	NA	MeJP	NA	NA
+PJ004150	CQHF 	C23H31N7O6S	533.2057	NA	PeJP	NA	NA
+PJ004151	DDER 	C19H31N7O11	533.2082	NA	PeJP	NA	NA
+MJ078173	Tefenperate 	C29H37Cl2NO4	533.209964	NA	MeJP	NA	NA
+PJ004152	AEEW 	C24H31N5O9	533.2122	NA	PeJP	NA	NA
+PJ004153	GPTEM 	C21H35N5O9S	533.2156	NA	PeJP	NA	NA
+PJ004154	SNQW 	C23H31N7O8	533.2234	NA	PeJP	NA	NA
+MJ078174	Harringtonine; 1''S-Hydroxy, parent acid 	C27H35NO10	533.226096	NA	MeJP	NA	NA
+PJ004155	QQQM 	C20H35N7O8S	533.2268	NA	PeJP	NA	NA
+PJ004156	PTMW 	C25H35N5O6S	533.2308	NA	PeJP	NA	NA
+PJ004157	KEEE 	C21H35N5O11	533.2333	NA	PeJP	NA	NA
+PJ004158	GPVMM 	C22H39N5O6S2	533.2342	NA	PeJP	NA	NA
+PJ004159	GSPHH 	C22H31N9O7	533.2347	NA	PeJP	NA	NA
+PJ004160	NNMR 	C19H35N9O7S	533.238	NA	PeJP	NA	NA
+PJ004161	GGGGMR 	C19H35N9O7S	533.2381	NA	PeJP	NA	NA
+MJ078175	Cossonine 	C31H35NO7	533.241352	NA	MeJP	NA	NA
+MJ078176	Cytochalasin V 	C31H35NO7	533.241352	NA	MeJP	NA	NA
+MJ078177	Hetidine; O3-(4-Methoxybenzoyl), O2-Ac 	C31H35NO7	533.241352	NA	MeJP	NA	NA
+MJ078178	Hetisan-1,2,11,13-tetrol, 11-Benzoyl, 1,2-di-Ac 	C31H35NO7	533.241352	NA	MeJP	NA	NA
+MJ078179	Hetisan-1,2,11,13-tetrol, 2-Benzoyl, 1,11-di-Ac 	C31H35NO7	533.241352	NA	MeJP	NA	NA
+MJ078180	Hetisan-1,2,9,15-tetrol, 2-Benzoyl, 1,15-di-Ac 	C31H35NO7	533.241352	NA	MeJP	NA	NA
+PJ004162	CKHF 	C24H35N7O5S	533.2421	NA	PeJP	NA	NA
+PJ004163	TEER 	C20H35N7O10	533.2446	NA	PeJP	NA	NA
+PJ004164	PMMR 	C21H39N7O5S2	533.2454	NA	PeJP	NA	NA
+MJ078181	Plicacetin; 3'?-Hydroxy 	C25H35N5O8	533.248563	NA	MeJP	NA	NA
+PJ004165	SLEW 	C25H35N5O8	533.2486	NA	PeJP	NA	NA
+PJ004166	AALEM 	C22H39N5O8S	533.252	NA	PeJP	NA	NA
+PJ004167	GSSQR 	C19H35N9O9	533.2558	NA	PeJP	NA	NA
+PJ004168	SNKW 	C24H35N7O7	533.2598	NA	PeJP	NA	NA
+MJ078182	Dictyocarpinine; 2,3-Didehydro, O16-de-Me, 14-Me ether, 6,16-di-Ac 	C28H39NO9	533.262481	NA	MeJP	NA	NA
+7330	celiac sprue gluten epitope from gamma-gliadin	QIPQTQQPQ	533.2625	MH2+	Inhouse_peptide	NA	peptide
+7392	celiac sprue gluten epitope found in hordein	QQTIPQQPQ	533.2625	MH2+	Inhouse_peptide	NA	peptide
+PJ004169	VEMR 	C21H39N7O7S	533.2632	NA	PeJP	NA	NA
+MJ078183	Ergobutine 	C29H35N5O5	533.263819	NA	MeJP	NA	NA
+MJ078184	Ergovaline 	C29H35N5O5	533.263819	NA	MeJP	NA	NA
+7359	celiac sprue gluten epitope found in hordein	PIPQQPQPY	533.2645	MH2+	Inhouse_peptide	NA	peptide
+PJ004170	VVMW 	C26H39N5O5S	533.2672	NA	PeJP	NA	NA
+PJ004171	ATTLE 	C22H39N5O10	533.2697	NA	PeJP	NA	NA
+PJ004172	LQHH 	C23H35N9O6	533.2711	NA	PeJP	NA	NA
+2920	neuropeptide from eyestalk of Macrobrachium rosenb	ADKNFLRFG	533.27135	MH2+	Inhouse_peptide	NA	peptide
+PJ004173	CQKR 	C20H39N9O6S	533.2744	NA	PeJP	NA	NA
+EUR858	Lyso PE 18:4 [M-H+acetate]-	C23H40NO7P	533.275342	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR858	Lyso PE 18:4 [M-H+acetate]-	C23H40NO7P	533.275342	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR858	Lyso PE 18:4 [M-H+acetate]-	C23H40NO7P	533.275342	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR858	Lyso PE 18:4 [M-H+acetate]-	C23H40NO7P	533.275342	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004174	GTTQK 	C21H39N7O9	533.2809	NA	PeJP	NA	NA
+PJ004175	GSDKK 	C21H39N7O9	533.281	NA	PeJP	NA	NA
+PJ004176	AAPLY 	C26H39N5O7	533.285	NA	PeJP	NA	NA
+PJ004177	GTLLM 	C23H43N5O7S	533.2883	NA	PeJP	NA	NA
+MJ078185	Roehybridine 	C31H39N3O5	533.288971	NA	MeJP	NA	NA
+PJ004178	GSSKR 	C20H39N9O8	533.2922	NA	PeJP	NA	NA
+PJ004179	PVRY 	C25H39N7O6	533.2962	NA	PeJP	NA	NA
+PJ004180	QKKM 	C22H43N7O6S	533.2996	NA	PeJP	NA	NA
+PJ004181	STTLL 	C23H43N5O9	533.3061	NA	PeJP	NA	NA
+PJ004182	LKHH 	C24H39N9O5	533.3074	NA	PeJP	NA	NA
+PJ004183	CKKR 	C21H43N9O5S	533.3108	NA	PeJP	NA	NA
+PJ004184	GTTKK 	C22H43N7O8	533.3173	NA	PeJP	NA	NA
+3670	NA	KGWHKRKK	533.3175	MH2+	Inhouse_peptide	NA	peptide
+PJ004185	AALLF 	C27H43N5O6	533.3214	NA	PeJP	NA	NA
+PJ004186	VLFR 	C26H43N7O5	533.3326	NA	PeJP	NA	NA
+PJ004187	KKKM 	C23H47N7O5S	533.336	NA	PeJP	NA	NA
+EUR756	Lyso PC 20:2 [M-H-CH3]-	C28H54NO7P	533.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR899	Lyso PE 22:2 monoisotopic mass 	C27H52NO7P	533.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR756	Lyso PC 20:2 [M-H-CH3]-	C28H54NO7P	533.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR899	Lyso PE 22:2 monoisotopic mass 	C27H52NO7P	533.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR756	Lyso PC 20:2 [M-H-CH3]-	C28H54NO7P	533.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR899	Lyso PE 22:2 monoisotopic mass 	C27H52NO7P	533.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR756	Lyso PC 20:2 [M-H-CH3]-	C28H54NO7P	533.348142	masses lipides attendues	Inhousejuil11	NA	NA
+EUR899	Lyso PE 22:2 monoisotopic mass 	C27H52NO7P	533.348142	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11492	LysoPE(0:0/22:2(13Z,16Z))	C27H52NO7P	533.348145	NA	HMDB2010	NA	NA
+HMDB11522	LysoPE(22:2(13Z,16Z)/0:0)	C27H52NO7P	533.348145	NA	HMDB2010	NA	NA
+MJ078186	Droxinavir 	C29H51N5O4	533.394105	NA	MeJP	NA	NA
+MJ078187	2-Amino-4,8,10-octadecatriene-1,3-diol, N-Hexadecanoyl 	C34H63NO3	533.480794	NA	MeJP	NA	NA
+MJ078188	2,3,6-Tribromo-4,5-dihydroxybenzyl alcohol; 1',4-Disulfate 	C7H5Br3O9S2	533.692511	NA	MeJP	NA	NA
+3106	adrenocorticotropin hormone Y fr:4-9	YMEHFRW	533.7257	MH2+	Inhouse_peptide	NA	peptide
+7382	celiac sprue gluten epitope found in hordein	QQPFPQQPV	533.762	MH2+	Inhouse_peptide	NA	peptide
+C07574	Tartrazine	C16H9N4O9S2	533.9504	NA	KEGG	NA	NA
+MJ078189	[1,1':3',1''-Terphenyl]-2,2',2'',4,4',4'',6,6',6''-nonol; 2,2''-Di-O-sulfate 	C18H14O15S2	533.977411	NA	MeJP	NA	NA
+MJ078190	Citorellamine 	C22H24Br2N4S	534.008842	NA	MeJP	NA	NA
+C16155	UDP-L-Ara4O	C14H20N2O16P2	534.0288	NA	KEGG	NA	NA
+MetaCyc03794	UDP-L-Ara4O [UDP-4-keto-pyranose;uridine 5'-&beta;-L-threo-pentapyranosyl-4-ulose diphosphate;'']	C14H20N2O16P2	534.028806	NA	metacyc	NA	NA
+MJ078191	2,4,6-Trichloro-5-methyl-1,3-benzenediol; 1-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C19H25Cl3O11	534.046244	NA	MeJP	NA	NA
+MJ078192	Hypericincarboxylic acid 	C30H14O10	534.058696	NA	MeJP	NA	NA
+MetaCyc03795	dUDP-L-rhamnose [dUDP-rhamnose;]	C15H24N2O15P2	534.065191	NA	metacyc	NA	NA
+MJ078193	Xanthone 411P; 2',3'-Dihydro 	C27H18O12	534.079826	NA	MeJP	NA	NA
+FL3FACGS0001	Luteolin 7-O-(6''-malonylglucoside)	C24H22O14	534.10095	98767-38-5	knapsack	NA	NA
+FL3FACGS0054	Luteolin 5-(6''-malonylglucoside)	C24H22O14	534.10095	130733-27-6	knapsack	NA	NA
+FL3FACGS0060	Luteolin 7-(2''-glucuronosyllactate)	C24H22O14	534.10095	126394-91-0	knapsack	NA	NA
+FL3FEAGS0014	Scutellarein 7-(6''-malonylglucoside)	C24H22O14	534.10095	127350-67-8	knapsack	NA	NA
+FL5FAAGA0028	Kaempferol 3-(6''-malonylgalactoside)	C24H22O14	534.10095	81202-52-0	knapsack	NA	NA
+FL5FAAGL0062	Kaempferol 3-(6''-malonylglucoside)	C24H22O14	534.10095	81149-02-2	knapsack	NA	NA
+FL5FACGS0090	Quercetin 3-(4''-malonylrhamnoside);3-[[4-O-(Carboxyacetyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C24H22O14	534.10095	354527-08-5	knapsack	NA	NA
+FL5FECGS0039	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide	C24H22O14	534.10095	-	knapsack	NA	NA
+FLIAACGS0003	Orobol 7-O-(6''-malonylglucoside)	C24H22O14	534.10095	92632-64-9	knapsack	NA	NA
+MJ078194	2',4',5,7-Tetrahydroxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078195	3',4',5,7-Tetrahydroxyflavone; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078196	3',4',5,7-Tetrahydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078197	3,3',4',5,6,7-Hexahydroxyflavone; 6,7-Methylene, 3,3'-di-Me ether, 4'-O-?-D-glucuronopyranoside 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078198	4',5,6,7-Tetrahydroxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078199	Astragalin; 6''-O-Malonoyl 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078200	Quercitrin; 4''-O-Malonyl 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078201	Trifolin; 6''-O-Malonyl 	C24H22O14	534.100955	NA	MeJP	NA	NA
+MJ078202	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(3-O-Malonyl-?-D-glucopyranoside) 	C24H23O14(+)	534.100955	NA	MeJP	NA	NA
+MJ078203	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H23O14(+)	534.100955	NA	MeJP	NA	NA
+C10103	Luteolin 7-O-(6''-malonylglucoside)	C24H22O14	534.101	NA	KEGG	NA	NA
+MJ078204	Rocepafant 	C26H23ClN6OS2	534.106328	NA	MeJP	NA	NA
+MJ078205	Didethiodi(methylthio)acetylaranotin 	C24H26N2O8S2	534.113057	NA	MeJP	NA	NA
+MJ078206	Nocardicin A; 3'-Chloro 	C23H23ClN4O9	534.115356	NA	MeJP	NA	NA
+MJ078207	1,2-Dihydroxyanthraquinone; 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078208	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(3,4-Di-O-acetyl-?-D-glucopyranoside) 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078209	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(3,6-Di-O-acetyl-?-D-glucopyranoside) 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078210	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(4,6-Di-O-acetyl-?-D-glucopyranoside) 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078211	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 4-O-?-D-Glucopyranoside, 9'-Me ester 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078212	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, butyl ester 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078213	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078214	6,8-Di-C-pentosylapigenin 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078215	6,8-Diarabinopyranosyl-4',5,7-trihydroxyflavone 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078216	6,9-Dihydroxy-2,3,10-trimethoxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one; 9-O-?-D-Glucopyranoside 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078217	6-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one; 2'-O-(3,4,5-Trihydroxybenzoyl) 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078218	8-Arabinopyranosyl-4',5,7-trihydroxy-6-xylopyranosylflavone 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078219	8-Glucosyl-5,7-dihydroxy-2-isopropyl-4H-1-benzopyran-4-one; 2'-O-(3,4,5-Trihydroxybenzoyl) 	C25H26O13	534.13734	NA	MeJP	NA	NA
+MJ078220	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C25H27O13(+)	534.13734	NA	MeJP	NA	NA
+FL1C3CGS0021	Okanin 4'-O-(4'',6''-di-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(4'',6''-di-O-acetylglucoside)	C25H26O13	534.13734	194600-20-9	knapsack	NA	NA
+FL3FAACS0011	6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin	C25H26O13	534.13734	85700-46-5	knapsack	NA	NA
+FL3FAACS0045	6,8-Di-C-alpha-L-arabinopyranosylapigenin	C25H26O13	534.13734	73140-47-3	knapsack	NA	NA
+FL3FAACS0046	6,8-Di-C-beta-D-arabinopyranosylapigenin	C25H26O13	534.13734	107911-03-5	knapsack	NA	NA
+FL3FAACS0068	6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin	C25H26O13	534.13734	677021-29-3	knapsack	NA	NA
+FL3FAACS0069	6-O-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin	C25H26O13	534.13734	477933-34-9	knapsack	NA	NA
+FL5FACGS0094	Parthenosin;Quercetin 3-(6''-n-butylglucuronide);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid butyl ester	C25H26O13	534.13734	166196-16-3	knapsack	NA	NA
+FL5FCDGL0003	Rhamnazin 3-(6''-acetylglucoside)	C25H26O13	534.13734	108886-00-6	knapsack	NA	NA
+MJ078221	Carbolonium(2+); Dibromide 	C18H40Br2N4O4	534.141631	NA	MeJP	NA	NA
+MJ078222	Aprepitant 	C23H21F7N4O3	534.150187	NA	MeJP	NA	NA
+MJ078223	Cercosporin 	C29H26O10	534.152597	NA	MeJP	NA	NA
+MJ078224	Neosporin 	C29H26O10	534.152597	NA	MeJP	NA	NA
+MJ078225	Rocaglatic acid; 4'-Demethoxy, 3',4'-methylenedioxy, 1-O-formyl, Me ester 	C29H26O10	534.152597	NA	MeJP	NA	NA
+C10309	Cercosporin	C29H26O10	534.1526	NA	KEGG	NA	NA
+PJ004188	GNDDD 	C18H26N6O13	534.1558	NA	PeJP	NA	NA
+MJ078226	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Hexa-Ac 	C22H30O15	534.15847	NA	MeJP	NA	NA
+PJ004189	CCFY 	C24H30N4O6S2	534.1607	NA	PeJP	NA	NA
+C10416	Dalpanin	C26H30O12	534.1737	NA	KEGG	NA	NA
+FL1C9CGS0001	3,4-Dihydroxychalcone 4-beta-L-arabinopyranosyl-(1->4)-galactoside	C26H30O12	534.17372	80680-25-7	knapsack	NA	NA
+FL2FA9GM0003	5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside	C26H30O12	534.17372	-	knapsack	NA	NA
+FL4DACGI0001	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside	C26H30O12	534.17372	340997-06-0	knapsack	NA	NA
+FL5FAAGI0001	Phellatin	C26H30O12	534.17372	32507-68-9	knapsack	NA	NA
+FL5FAAGI0015	Amurensin	C26H30O12	534.17372	641-94-1	knapsack	NA	NA
+FLIBALCF0001	Dalpanin	C26H30O12	534.17372	37376-13-9	knapsack	NA	NA
+MJ078227	,7-Dihydroxy-6-methylflavanone, 7-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside] 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078228	10-Hydroxyaloin, 1''-O-(3-Hydroxy-2-methylbutanoyl)(2R,3S-) 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078229	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 9,13,14-tri-Ac 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078230	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Tigloyl, 9,13,14-tri-Ac 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078231	3,3',4',5,7-Pentahydroxy-6-prenylflavanone, 7-O-?-D-Glucopyranoside 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078232	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,4:3',4'-Bis(methylene) ether, 9-O-?-D-glucopyranoside 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078233	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3''-O-?-D-Glucopyranoside 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078234	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 7-O-?-D-Glucopyranoside 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078235	3,4-Dihydroxychalcone; 4-O-(?-D-Arabinopyranosyl-?-D-galactopyranoside) 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078236	5,7-Dihydroxy-6-methylflavanone, 7-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside] 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078237	Dalpanin 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078238	Phellatin 	C26H30O12	534.173726	NA	MeJP	NA	NA
+MJ078239	Striatoside A 	C26H30O12	534.173726	NA	MeJP	NA	NA
+PJ004190	SPCND 	C19H30N6O10S	534.1744	NA	PeJP	NA	NA
+PJ004191	SCYY 	C24H30N4O8S	534.1784	NA	PeJP	NA	NA
+PJ004192	EEEE 	C20H30N4O13	534.181	NA	PeJP	NA	NA
+PJ004193	GCNNQ 	C18H30N8O9S	534.1857	NA	PeJP	NA	NA
+MJ078240	Rocaglatic acid; 1-Ac, Me ester 	C30H30O9	534.188982	NA	MeJP	NA	NA
+PJ004194	CEHF 	C23H30N6O7S	534.1897	NA	PeJP	NA	NA
+PJ004195	GSNEE 	C19H30N6O12	534.1922	NA	PeJP	NA	NA
+PJ004196	GPCQM 	C20H34N6O7S2	534.1931	NA	PeJP	NA	NA
+C18004	5''-Phosphoribostamycin	C17H35N4O13P	534.1938	NA	KEGG	NA	NA
+MJ078241	Benzyl alcohol; O-[?-D-Apiofuranosyl-(1?2)-[?-D-xylopyranosyl-(1?6)]-?-D-glucopyranoside] 	C23H34O14	534.194855	NA	MeJP	NA	NA
+MJ078242	Glaucobiose; ?-Pyranose-form, Penta-Ac 	C23H34O14	534.194855	NA	MeJP	NA	NA
+MJ078243	Sinapyl alcohol, 1,4'-Di-O-?-D-glucopyranoside 	C23H34O14	534.194855	NA	MeJP	NA	NA
+MJ078244	Sinapyl alcohol, 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C23H34O14	534.194855	NA	MeJP	NA	NA
+PJ004197	SSNNN 	C18H30N8O11	534.2034	NA	PeJP	NA	NA
+MJ078245	Maculalactone E; 3?,3a?-Epoxide, 1'?-hydroxy 	C34H30O6	534.204238	NA	MeJP	NA	NA
+MJ078246	Maculalactone I 	C34H30O6	534.204238	NA	MeJP	NA	NA
+MJ078247	Maculalactone J 	C34H30O6	534.204238	NA	MeJP	NA	NA
+PJ004198	GPCCR 	C19H34N8O6S2	534.2043	NA	PeJP	NA	NA
+PJ004199	SNEW 	C23H30N6O9	534.2074	NA	PeJP	NA	NA
+PJ004200	GGSEW 	C23H30N6O9	534.2075	NA	PeJP	NA	NA
+C08787	Undulatone	C27H34O11	534.2101	NA	KEGG	NA	NA
+C16915	Arctiin	C27H34O11	534.2101	NA	KEGG	NA	NA
+C17048	Forsythin	C27H34O11	534.2101	NA	KEGG	NA	NA
+FL6DBAGI0001	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside	C27H34O11	534.21011	118555-85-4	knapsack	NA	NA
+MJ078248	1,5-Bis(3,4-dihydroxyphenyl)-4-pentyne-1,2-diol, 1-Butyl ether, 2-O-?-D-glucopyranoside 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078249	1,6,8,14,30-Pentahydroxy-3-oxotricyclo[3.3.110,2.11,4]meliac-7-oic acid, Me ester 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078250	15,16-Epoxy-6-hydroxy-3,7,13(16),14-clerodatetraen-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078251	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9'-O-(4-O-methyl-?-D-glucopyranoside) 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078252	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5,9-Tri-Me ether, 9'-O-?-D-glucopyranoside 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078253	Arctigenin, O-?-D-Glucopyranoside 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078254	Myricanol; Ketone, 12-hydroxy, 5-O-?-D-glucopyranoside 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078255	Phillygenin, O-?-D-Glucopyranoside 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078256	Pinoresinol, 4-Me ether, 4'-O-?-D-glucopyranoside 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078257	Undulatone 	C27H34O11	534.210111	NA	MeJP	NA	NA
+MJ078258	Verrucarin A; 16-Hydroxy, 9,10-epoxide 	C27H34O11	534.210111	NA	MeJP	NA	NA
+PJ004201	QQEM 	C20H34N6O9S	534.2108	NA	PeJP	NA	NA
+MJ078259	Maytansinol; 4,5-Deepoxy, 4,5-didehydro, N-de-Me 	C27H35ClN2O7	534.213279	NA	MeJP	NA	NA
+MJ078260	Cocsoline, N-De-Me 	C33H30N2O5	534.215472	NA	MeJP	NA	NA
+PJ004202	NDMR 	C19H34N8O8S	534.2221	NA	PeJP	NA	NA
+PJ004203	GSWW 	C27H30N6O6	534.2227	NA	PeJP	NA	NA
+MJ078261	Sarothralin 	C31H34O8	534.225368	NA	MeJP	NA	NA
+C09969	Sarothralin	C31H34O8	534.2254	NA	KEGG	NA	NA
+PJ004204	AQMW 	C24H34N6O6S	534.2261	NA	PeJP	NA	NA
+MJ078262	Triamcinolone; 16,17-Acetone ketal, 21-hemisuccinate 	C28H35FO9	534.22651	NA	MeJP	NA	NA
+MJ078263	Okaramine E; 2,3-Didehydro 	C32H30N4O4	534.226705	NA	MeJP	NA	NA
+PJ004205	GSDKE 	C20H34N6O11	534.2286	NA	PeJP	NA	NA
+MJ078264	Daturametelin F 	C28H38O8S	534.228738	NA	MeJP	NA	NA
+PJ004206	GPCKM 	C21H38N6O6S2	534.2294	NA	PeJP	NA	NA
+PJ004207	NQHH 	C21H30N10O7	534.2299	NA	PeJP	NA	NA
+6988	coeliac toxic peptide	QQPY	534.231	antioxidative	Inhouse_peptide	NA	peptide
+MJ078265	Manumycin E 	C30H34N2O7	534.236601	NA	MeJP	NA	NA
+PJ004208	ACRW 	C23H34N8O5S	534.2373	NA	PeJP	NA	NA
+MJ078266	9-Chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione, 21-Ac, 17-pentanoyl 	C29H39ClO7	534.238431	NA	MeJP	NA	NA
+MJ078267	Jaborochlorodiol; 4,5-Dihydro, 5?-hydroxy, 12-Me ether 	C29H39ClO7	534.238431	NA	MeJP	NA	NA
+MJ078268	Jaborosalactone T 	C29H39ClO7	534.238431	NA	MeJP	NA	NA
+PJ004209	GSSER 	C19H34N8O10	534.2398	NA	PeJP	NA	NA
+MJ078269	Etamestrol 	C35H34O5	534.240624	NA	MeJP	NA	NA
+PJ004210	SDKW 	C24H34N6O8	534.2438	NA	PeJP	NA	NA
+CJneg0644	Androsterone glucuronide [(M-H)+(HCOONa)]-	C26H38NaO10	534.244625	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0644	Androsterone glucuronide [(M-H)+(HCOONa)]-	C26H38NaO10	534.244625	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ078270	1,2,3,6,11-Pentahydroxy-16-kauren-15-one, 6-Ketone, 15?-alcohol, 2,3,11,15-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078271	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 1,6,7,11-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078272	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, 3,6,7,11-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078273	16-Kaurene-1,3,6,7,11,15-hexol, 6-Ketone, 1,7,11,15-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078274	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,6,7,11-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078275	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 3,6,7,11-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078276	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,6,11-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078277	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, 2,3,6,7-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078278	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,5,7,13-Tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078279	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 2,7,10,13-Tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078280	2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,10,13,20-Tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078281	2,5,10,13,20-Pentahydroxy-3,8-seco-3,7,11-taxatrien-9-one, 2,5,10,13-Tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078282	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',4,4',5,5'-Hexa-Me ether, 9,9'-di-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078283	3,4:8,17-Diepoxy-2,9,14-trihydroxy-5-briaren-18,7-olide; 2-Butanoyl, 9,14-di-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078284	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 2,7,9,10-tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078285	7,20-Epoxy-16-kaurene-1,6,7,11,15-pentol, 1,6,11,15-Tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078286	8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 3-Butanoyl, 2,14-di-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078287	8,17-Epoxy-2,9,14-trihydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 9,14-di-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078288	8,9-Epoxy-2,4,6,10-daucanetetrol, 2,10-Di-Ac, 6-(3,4-dimethoxybenzoyl) 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078289	Ayamycin A2 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078290	Ingol; 2-Epimer, tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078291	Ingol; Tetra-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078292	Sakuraresinol; 1'''-Carboxylic acid, butyl ester 	C28H38O10	534.246497	NA	MeJP	NA	NA
+MJ078293	Shikokianoic acid; 6-Alcohol, di-Ac 	C28H38O10	534.246497	NA	MeJP	NA	NA
+PJ004211	QKEM 	C21H38N6O8S	534.2472	NA	PeJP	NA	NA
+MJ078294	Asterriquinone D; 2',2''-Bis(1,1-dimethyl-2-propenyl) 	C34H34N2O4	534.251857	NA	MeJP	NA	NA
+MJ078295	Asterriquinone D; 2',N1''-Bis(1,1-dimethyl-2-propenyl) 	C34H34N2O4	534.251857	NA	MeJP	NA	NA
+MJ078296	Asterriquinone D; 7''-(3-Methyl-2-butenyl), 2'-(1,1-dimethyl-2-propenyl) 	C34H34N2O4	534.251857	NA	MeJP	NA	NA
+MJ078297	Asterriquinone D; 7'-(3-Methyl-2-butenyl), 2'-(1,1-dimethyl-2-propenyl) 	C34H34N2O4	534.251857	NA	MeJP	NA	NA
+MJ078298	Asterriquinone; Di-Me ether 	C34H34N2O4	534.251857	NA	MeJP	NA	NA
+PJ004212	SSRW 	C23H34N8O7	534.2551	NA	PeJP	NA	NA
+MJ078299	Antimycin A8; Antimycin A8a 	C27H38N2O9	534.25773	NA	MeJP	NA	NA
+MJ078300	Antimycin A8; Antimycin A8b 	C27H38N2O9	534.25773	NA	MeJP	NA	NA
+MJ078301	Antimycin A; Antimycin A2 	C27H38N2O9	534.25773	NA	MeJP	NA	NA
+PJ004213	TQMR 	C20H38N8O7S	534.2584	NA	PeJP	NA	NA
+PJ004214	AKMW 	C25H38N6O5S	534.2625	NA	PeJP	NA	NA
+MJ078302	1'-Ethyl-6,7-dihydro-5-[[2'-methyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-yl]carbonyl]spiro[2H-furo[2,3-f]indole-3(5H),4'-piperidine] 	C33H34N4O3	534.26309	NA	MeJP	NA	NA
+MJ078303	N-Phenyl-N'-[2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea 	C33H34N4O3	534.26309	NA	MeJP	NA	NA
+C15096	GV 150013X	C33H34N4O3	534.2631	NA	KEGG	NA	NA
+C18064	Pyropheophorbide a	C33H34N4O3	534.2631	NA	KEGG	NA	NA
+PJ004215	GTTKE 	C21H38N6O10	534.265	NA	PeJP	NA	NA
+3773	dipeptidyl aminopeptidase inhibitor	EPPPPEPPPI	534.266	MH2+	Inhouse_peptide	NA	peptide
+PJ004216	NKHH 	C22H34N10O6	534.2663	NA	PeJP	NA	NA
+MJ078304	5,7-Megastigmadiene-3,9-diol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H42O12	534.267626	NA	MeJP	NA	NA
+MJ078305	5,7-Megastigmadiene-3,9-diol, 3,9-Di-O-?-D-glucopyranoside 	C25H42O12	534.267626	NA	MeJP	NA	NA
+MJ078306	6,9-Dihydroxy-4,7-megastigmadien-3-one, 7,8-Dihydro, 9-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H42O12	534.267626	NA	MeJP	NA	NA
+MJ078307	Eleganoside C; 7-O-De-Me, 7-octyl ether 	C25H42O12	534.267626	NA	MeJP	NA	NA
+PJ004217	TCRR 	C19H38N10O6S	534.2697	NA	PeJP	NA	NA
+PJ004218	GTTTR 	C20H38N8O9	534.2762	NA	PeJP	NA	NA
+PJ004219	TTKW 	C25H38N6O7	534.2802	NA	PeJP	NA	NA
+MJ078308	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 18-butanoyl, 6,19-di-Ac 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078309	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7-butanoyl, 18,19-di-Ac 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078310	2,3,11,14,20,22-Hexahydroxy-6-oxostigmasta-7,24(28)-dien-29,25-olide 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078311	2,3,5,12,14,20-Hexahydroxy-6,22-dioxostigmast-7-en-26,28-olide, 5-Deoxy 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078312	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078313	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-D-allopyranoside) 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078314	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-ribo-hexopyranoside) 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078315	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078316	4,18-Epoxy-6,12,19-trihydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), di-Ac 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078317	4,18:11,16:15,16-Triepoxy-1,6,19-clerodanetriol, 1-Tigloyl, 6,19-di-Ac 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078318	4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, 2-(2-Methylbutanoyl), 6,19-di-Ac 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078319	5,9-Epoxy-2,12,14-trihydroxy-6,8-briaradien-18-oic acid; 2-Butanoyl, 12,14-di-Ac, Me ester 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078320	Eriocarpin 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078321	Gomphoside; 15?-Hydroxy 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078322	Gomphoside; 17?-Hydroxy 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078323	Gomphoside; 17?-Hydroxy 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078324	Gomphoside; 3'-Epimer, 4'?-hydroxy 	C29H42O9	534.282882	NA	MeJP	NA	NA
+MJ078325	Sordaricin; O-(3-O-Acetyl-6-deoxy-4-O-methyl-?-D-altropyranoside) 	C29H42O9	534.282882	NA	MeJP	NA	NA
+C08869	Helveticoside	C29H42O9	534.2829	NA	KEGG	NA	NA
+C17525	Corotoxigenin-3-o-alpha-L-rhamnopyranoside	C29H42O9	534.2829	NA	KEGG	NA	NA
+PJ004220	KKEM 	C22H42N6O7S	534.2836	NA	PeJP	NA	NA
+MJ078326	Paliurine E; O-De-Me 	C30H38N4O5	534.28422	NA	MeJP	NA	NA
+PJ004221	VNFR 	C24H38N8O6	534.2914	NA	PeJP	NA	NA
+PJ004222	GGVFR 	C24H38N8O6	534.2915	NA	PeJP	NA	NA
+MJ078327	Antibiotic C 33196E4R 	C28H42N2O8	534.294116	NA	MeJP	NA	NA
+MJ078328	Lebstatin; 17-O-Demethyl 	C28H42N2O8	534.294116	NA	MeJP	NA	NA
+PJ004223	TKMR 	C21H42N8O6S	534.2948	NA	PeJP	NA	NA
+MJ078329	Ingenol; 20-Deoxy, 3-hexanoyl, 5-benzoyl 	C33H42O6	534.298139	NA	MeJP	NA	NA
+MJ078330	Vitixanthin 	C33H42O6	534.298139	NA	MeJP	NA	NA
+PJ004224	SSTLK 	C22H42N6O9	534.3013	NA	PeJP	NA	NA
+PJ004225	GFRR 	C23H38N10O5	534.3027	NA	PeJP	NA	NA
+PJ004226	PKKY 	C26H42N6O6	534.3166	NA	PeJP	NA	NA
+MJ078331	2,16,20,24,25-Pentahydroxycucurbit-5-ene-3,11,22-trione 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078332	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,15,22-trione, 23,24-Dihydro 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078333	2,3,16,21-Tetrahydroxy-12-oleanene-24,28-dioic acid 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078334	2,3,16,23-Tetrahydroxy-12-oleanene-24,28-dioic acid 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078335	2,3,19,24-Tetrahydroxy-12-ursene-23,28-dioic acid 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078336	2,3,22,27-Tetrahydroxy-12-oleanene-23,28-dioic acid 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078337	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-xylo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078338	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-lyxo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078339	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078340	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-L-lyxo-hexopyranoside] 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078341	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-lyxo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078342	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-xylo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078343	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078344	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(3,6-Dideoxy-3-O-methyl-ribo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078345	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-xylo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078346	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078347	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-glucopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078348	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-altropyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078349	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078350	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-altropyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078351	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078352	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-mannopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078353	3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranoside] 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078354	3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methyl-?-L-mannopyranoside] 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078355	3,14-Dihydroxycard-20(22)-enolide, 3-O-(3-O-Methyl-?-L-rhamnopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078356	3,14-Dihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078357	3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside] 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078358	3,16,20,24,25-Pentahydroxycucurbit-5-ene-2,11,22-trione 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078359	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078360	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078361	3,7,15,20-Tetrahydroxy-11,23-dioxolanost-8-en-26-oic acid 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078362	Cecropiacic acid; 15?-Hydroxy 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078363	Cecropiacic acid; 22?-Hydroxy 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078364	Cochliohydroquinone 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078365	Musangic acid 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078366	Neriagenin; 3-?-D-Diginosyl 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078367	Saponaceolide B; 3?,10?-Dihydroxy 	C30H46O8	534.319268	NA	MeJP	NA	NA
+MJ078368	Saponaceolide B; 7?,10?-Dihydroxy 	C30H46O8	534.319268	NA	MeJP	NA	NA
+C08799	Cucurbitacin H	C30H46O8	534.3193	NA	KEGG	NA	NA
+C08863	Divaricoside	C30H46O8	534.3193	NA	KEGG	NA	NA
+C08864	Divostroside	C30H46O8	534.3193	NA	KEGG	NA	NA
+C08876	Neriifolin	C30H46O8	534.3193	NA	KEGG	NA	NA
+C10005	Integerrenine	C31H42N4O4	534.3206	NA	KEGG	NA	NA
+MJ078369	Adouetine Y' 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078370	Discarine C 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078371	Frangufoline 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078372	Integerrenine 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078373	Myrianthine A 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078374	Nummularine M 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078375	Protomethine; N9-(3,4-Dimethoxy-E-cinnamoyl) 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078376	Protomethine; N9-(3,4-Dimethoxy-Z-cinnamoyl) 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078377	Scutianine C 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078378	Waltherine A 	C31H42N4O4	534.320605	NA	MeJP	NA	NA
+MJ078379	Milbemycin IV; 7-Deoxy, 2,5,6,7-tetradehydro 	C34H46O5	534.334524	NA	MeJP	NA	NA
+MJ078380	Quaesitol; 3-Me ether 	C34H46O5	534.334524	NA	MeJP	NA	NA
+MJ078381	Tetromycin B 	C34H46O5	534.334524	NA	MeJP	NA	NA
+MJ078382	Ircinol; Sulfate 	C31H50O5S	534.337895	NA	MeJP	NA	NA
+7864	peptide from prawn muscle (Penaeus japonicus)	FIKK	534.34	anticancer	Inhouse_peptide	NA	peptide
+MJ078383	6-(1-Hydroxyethyl)-1-phenazinecarboxylic acid; O-(16-Methylheptadecanoyl) 	C33H46N2O4	534.345757	NA	MeJP	NA	NA
+PJ004227	LKKF 	C27H46N6O5	534.353	NA	PeJP	NA	NA
+MJ078384	Cholest-8-ene-3,5,6,7,11-pentol, 6,7-Di-Ac 	C31H50O7	534.355653	NA	MeJP	NA	NA
+MJ078385	Passifloric acid 	C31H50O7	534.355653	NA	MeJP	NA	NA
+MJ078386	Pectinoacetal C 	C31H50O7	534.355653	NA	MeJP	NA	NA
+MJ078387	Viburnol F 	C31H50O7	534.355653	NA	MeJP	NA	NA
+MJ078388	Pyrano[7,28-b]hyperforin 	C35H50O4	534.37091	NA	MeJP	NA	NA
+MJ078389	Pyrohyperforin 	C35H50O4	534.37091	NA	MeJP	NA	NA
+MJ078390	Cyclomicrophylline I; N3,N20,N20-Tri-Me, N3-benzoyl 	C34H50N2O3	534.382143	NA	MeJP	NA	NA
+MJ078391	Raspacionin; 21-Deacetyl 	C32H54O6	534.392039	NA	MeJP	NA	NA
+MJ078392	Stigmast-5-ene-3,26-diol, 26-Benzoyl 	C36H54O3	534.407295	NA	MeJP	NA	NA
+MJ078393	Toxicol B 	C36H54O3	534.407295	NA	MeJP	NA	NA
+MJ078394	3,3',4,4'-Tetradehydro-?,?-carotene; 3',4'-Dihydro 	C40H54	534.422551	NA	MeJP	NA	NA
+MJ078395	?,?-Carotene; 3',4'-Didehydro 	C40H54	534.422551	NA	MeJP	NA	NA
+MJ078396	?-Carotene; 3',4'-Didehydro 	C40H54	534.422551	NA	MeJP	NA	NA
+MJ078397	Isocarotene 	C40H54	534.422551	NA	MeJP	NA	NA
+MJ078398	Lycopene, 3,4-Didehydro 	C40H54	534.422551	NA	MeJP	NA	NA
+MJ078399	Retrodehydro-?-carotene 	C40H54	534.422551	NA	MeJP	NA	NA
+C08613	Torulene	C40H54	534.4226	NA	KEGG	NA	NA
+C15867	3,4-Dehydrolycopene	C40H54	534.4226	NA	KEGG	NA	NA
+C15868	Neuromedin N	C40H54	534.4226	NA	KEGG	NA	NA
+C15869	Neuromedin U	C40H54	534.4226	NA	KEGG	NA	NA
+C15910	1',2'-Dihydrochlorobactene	C40H54	534.4226	NA	KEGG	NA	NA
+MJ078400	Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene 	C33H58O5	534.428424	NA	MeJP	NA	NA
+MJ078401	5,20-Dipropyl-1,16-dioxa-4,19-diazacyclotriaconta-7,10,22,25-tetraene-15,30-dione; 7,8,22,23-Tetrahydro 	C32H58N2O4	534.439658	NA	MeJP	NA	NA
+MJ078402	Cyclostellettamine; Cyclostellettamine E 	C37H62N2	534.491299	NA	MeJP	NA	NA
+MJ078403	Reticulatamol 	C35H66O3	534.501195	NA	MeJP	NA	NA
+MJ078404	13-Oxohexatriacontanal 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078405	15-Oxohexatriacontanal 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078406	17-Oxohexatriacontanal 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078407	2-Phyten-1-ol, Hexadecanoyl 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078408	3-(2-Methoxybutyl)-29-hentriaconten-2-one 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078409	7-Oxohexatriacontanal 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078410	9-Oxohexatriacontanal 	C36H70O2	534.537581	NA	MeJP	NA	NA
+MJ078411	4-Heptatriacontanone 	C37H74O	534.573966	NA	MeJP	NA	NA
+MJ078412	Octatriacontane 	C38H78	534.610352	NA	MeJP	NA	NA
+7315	celiac sprue gluten epitope from gamma-gliadin	PFPQQPQQT	534.7515	MH2+	Inhouse_peptide	NA	peptide
+7317	celiac sprue gluten epitope from gamma-gliadin	PFPQTQQPQ	534.7515	MH2+	Inhouse_peptide	NA	peptide
+7367	celiac sprue gluten epitope found in hordein	PQPTQQFPQ	534.7515	MH2+	Inhouse_peptide	NA	peptide
+7348	celiac sprue gluten epitope found in omega-gliadin	PFPQPQLPF	534.772	MH2+	Inhouse_peptide	NA	peptide
+MJ078413	Alternatamide B; N1-Me 	C18H24Br3N3O	534.94695	NA	MeJP	NA	NA
+MJ078414	3-[[(3-Carboxy-4-nitrophenyl)thio]methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 	C21H17N3O8S3	535.017776	NA	MeJP	NA	NA
+MJ078415	Cefetecol 	C20H17N5O9S2	535.046768	NA	MeJP	NA	NA
+C16153	UDP-L-Ara4N	C14H23N3O15P2	535.0604	NA	KEGG	NA	NA
+MetaCyc03796	UDP-L-Ara4N [uridine 5''-diphospho-{&beta;}-4-deoxy-4-amino-L-arabinose;UDP-4-amino-4-deoxy-L-arabinose;]	C14H23N3O15P2	535.06044	NA	metacyc	NA	NA
+C16238	Lipoyl-AMP	C18H26N5O8PS2	535.096	NA	KEGG	NA	NA
+C16239	Lipoyl-[acp]	C8H13OS3R	535.096	NA	KEGG	NA	NA
+C16240	Apoprotein	NH2R	535.096	NA	KEGG	NA	NA
+MetaCyc03797	lipoyl-AMP []	C18H26N5O8P1S2	535.096041	NA	metacyc	NA	NA
+MJ078416	Antibiotic BE 19412A 	C28H22ClNO8	535.103394	NA	MeJP	NA	NA
+FL7AACGL0025	Cyanidin 3-(3''-malonylglucoside)	C24H23O14	535.10878	180129-51-5	knapsack	NA	NA
+FL7AACGL0026	Cyanidin 3-(6''-malonylglucoside);Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)	C24H23O14	535.10878	94977-38-5	knapsack	NA	NA
+C12643	Cyanidin 3-O-(6-O-malonyl-beta-D-glucoside)	C24H23O14	535.1088	NA	KEGG	NA	NA
+C06776	11-O-Demethylpradimicinone I	C27H21NO11	535.1115	NA	KEGG	NA	NA
+MJ078417	Rebeccamycin; 11-Dechloro 	C27H22ClN3O7	535.114627	NA	MeJP	NA	NA
+MJ078418	Antibiotic WS 009B 	C24H25NO11S	535.114831	NA	MeJP	NA	NA
+PJ004228	ACCCH 	C18H29N7O6S3	535.1342	NA	PeJP	NA	NA
+PJ004229	GDDDD 	C18H25N5O14	535.1398	NA	PeJP	NA	NA
+FL7AAIGL0010	Malvidin 3-(6''-acetylglucoside)	C25H27O13	535.14516	101072-66-6<BR>114051-26-2<BR>122798-00-9	knapsack	NA	NA
+PJ004230	SSCCH 	C18H29N7O8S2	535.1519	NA	PeJP	NA	NA
+MJ078419	11-(Methylsulfinyl)undecyl glucosinolate 	C19H37NO10S3	535.157958	NA	MeJP	NA	NA
+PJ004231	SPCDD 	C19H29N5O11S	535.1585	NA	PeJP	NA	NA
+FL63ACGCN001	Davallioside A	C25H29NO12	535.16897	131747-15-4	knapsack	NA	NA
+MJ078420	Davallioside A 	C25H29NO12	535.168975	NA	MeJP	NA	NA
+PJ004232	GCNNE 	C18H29N7O10S	535.1697	NA	PeJP	NA	NA
+MJ078421	Xenytropium(1+), Bromide 	C30H34BrNO3	535.172206	NA	MeJP	NA	NA
+MJ078422	(3-Acetyl-5-chloro-2-hydroxybenzyl)dimethyl(2-phenoxyethyl)ammonium(1+); 3-Hydroxy-2-naphthalenecarboxylate 	C30H30ClNO6	535.176165	NA	MeJP	NA	NA
+PJ004233	GSDEE 	C19H29N5O13	535.1762	NA	PeJP	NA	NA
+PJ004234	GPCEM 	C20H33N5O8S2	535.1771	NA	PeJP	NA	NA
+MJ078423	Prestreptovarone 	C29H29NO9	535.184231	NA	MeJP	NA	NA
+MJ078424	Rocaglatic acid; 3'-Methoxy, 1-oxime, Me ester 	C29H29NO9	535.184231	NA	MeJP	NA	NA
+PJ004235	CNNW 	C22H29N7O7S	535.1849	NA	PeJP	NA	NA
+PJ004236	GGGGCW 	C22H29N7O7S	535.185	NA	PeJP	NA	NA
+PJ004237	SSNND 	C18H29N7O12	535.1874	NA	PeJP	NA	NA
+PJ004238	GGGGSSD 	C18H29N7O12	535.1875	NA	PeJP	NA	NA
+PJ004239	SDEW 	C23H29N5O10	535.1915	NA	PeJP	NA	NA
+PJ004240	PCMW 	C24H33N5O5S2	535.1923	NA	PeJP	NA	NA
+PJ004241	QEEM 	C20H33N5O10S	535.1948	NA	PeJP	NA	NA
+C11597	Grepafloxacin glucuronide	C25H30FN3O9	535.1966	NA	KEGG	NA	NA
+8135	peptide derived from rice (Oryza sativa L,)	DHHQ	535.2009	stimulating	Inhouse_peptide	NA	peptide
+PJ004242	DDMR 	C19H33N7O9S	535.2061	NA	PeJP	NA	NA
+MJ078425	Antibiotic K 26 	C25H34N3O8P	535.208351	NA	MeJP	NA	NA
+PJ004243	AEMW 	C24H33N5O7S	535.2101	NA	PeJP	NA	NA
+PJ004244	GTTEE 	C20H33N5O12	535.2126	NA	PeJP	NA	NA
+PJ004245	GPTMM 	C21H37N5O7S2	535.2135	NA	PeJP	NA	NA
+PJ004246	NEHH 	C21H29N9O8	535.2139	NA	PeJP	NA	NA
+7878	peptide from b-casein (ovine milk)	YQEP	535.215	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ078426	Scopinast 	C31H31F2NO5	535.217029	NA	MeJP	NA	NA
+PJ004247	GSCNR 	C18H33N9O8S	535.2173	NA	PeJP	NA	NA
+MJ078427	Astin; Astin C, 3'-Dechloro 	C25H34ClN5O6	535.219761	NA	MeJP	NA	NA
+MJ078428	Neoharringtonine 	C30H33NO8	535.220617	NA	MeJP	NA	NA
+MJ078429	Rocaglatic acid; 3'-Hydroxy, 8b-Et ether, methylamide 	C30H33NO8	535.220617	NA	MeJP	NA	NA
+MJ078430	Rocaglatic acid; 3'-Methoxy, dimethylamide 	C30H33NO8	535.220617	NA	MeJP	NA	NA
+MJ078431	Thaliadine 	C30H33NO8	535.220617	NA	MeJP	NA	NA
+MJ078432	Asperlicin 	C31H29N5O4	535.221954	NA	MeJP	NA	NA
+C11688	Asperlicin	C31H29N5O4	535.222	NA	KEGG	NA	NA
+PJ004248	SSSQQ 	C19H33N7O11	535.2238	NA	PeJP	NA	NA
+PJ004249	TTEW 	C24H33N5O9	535.2278	NA	PeJP	NA	NA
+PJ004250	GAPEY 	C24H33N5O9	535.2279	NA	PeJP	NA	NA
+PJ004251	GHHW 	C25H29N9O5	535.2292	NA	PeJP	NA	NA
+PJ004252	KEEM 	C21H37N5O9S	535.2312	NA	PeJP	NA	NA
+PJ004253	NQQF 	C23H33N7O8	535.2391	NA	PeJP	NA	NA
+PJ004254	TEMR 	C20H37N7O8S	535.2425	NA	PeJP	NA	NA
+PJ004255	APYW 	C28H33N5O6	535.2431	NA	PeJP	NA	NA
+MJ078433	Geodiamolide D; Chloro analogue 	C27H38ClN3O6	535.244913	NA	MeJP	NA	NA
+PJ004256	SLMW 	C25H37N5O6S	535.2465	NA	PeJP	NA	NA
+MJ078434	Fluphenazine; Hexanoyl 	C28H36F3N3O2S	535.248032	NA	MeJP	NA	NA
+PJ004257	SSTLE 	C21H37N5O11	535.249	NA	PeJP	NA	NA
+PJ004258	GCLLM 	C22H41N5O6S2	535.2498	NA	PeJP	NA	NA
+PJ004259	AALMM 	C22H41N5O6S2	535.2499	NA	PeJP	NA	NA
+PJ004260	DKHH 	C22H33N9O7	535.2503	NA	PeJP	NA	NA
+3202	chymotrypsin inhibitor	TPGVY	535.251	celiac toxic	Inhouse_peptide	NA	peptide
+PJ004261	PPHW 	C27H33N7O5	535.2543	NA	PeJP	NA	NA
+MJ078435	Cytochalasin U 	C31H37NO7	535.257002	NA	MeJP	NA	NA
+MJ078436	Nicocortonide 	C31H37NO7	535.257002	NA	MeJP	NA	NA
+PJ004262	SSSQK 	C20H37N7O10	535.2602	NA	PeJP	NA	NA
+PJ004263	VMMR 	C21H41N7O5S2	535.2611	NA	PeJP	NA	NA
+PJ004264	SHHR 	C21H33N11O6	535.2615	NA	PeJP	NA	NA
+PJ004265	PKEY 	C25H37N5O8	535.2642	NA	PeJP	NA	NA
+PJ004266	ATTLM 	C22H41N5O8S	535.2676	NA	PeJP	NA	NA
+MJ078437	Quantamycin 	C24H37N7O7	535.275446	NA	MeJP	NA	NA
+PJ004267	PTRY 	C24H37N7O7	535.2755	NA	PeJP	NA	NA
+MJ078438	Dictyocarpinine; 16-De-Me, 14-Me ether, 6,16-di-Ac 	C28H41NO9	535.278131	NA	MeJP	NA	NA
+MJ078439	Dictyocarpinine; 6,14-Di-Ac 	C28H41NO9	535.278131	NA	MeJP	NA	NA
+PJ004268	GTCKK 	C21H41N7O7S	535.2788	NA	PeJP	NA	NA
+MJ078440	Tyrosylprolyl-N-methylphenylalanylprolinamide 	C29H37N5O5	535.279469	NA	MeJP	NA	NA
+PJ004269	ALFW 	C29H37N5O5	535.2795	NA	PeJP	NA	NA
+PJ004270	TTTTL 	C22H41N5O10	535.2854	NA	PeJP	NA	NA
+MJ078441	Blasticidin S; 3''-N-Leucyl 	C23H37N9O6	535.286679	NA	MeJP	NA	NA
+EUR853	Lyso PE 18:3 [M-H+acetate]-	C23H42NO7P	535.290992	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR853	Lyso PE 18:3 [M-H+acetate]-	C23H42NO7P	535.290992	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR853	Lyso PE 18:3 [M-H+acetate]-	C23H42NO7P	535.290992	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR853	Lyso PE 18:3 [M-H+acetate]-	C23H42NO7P	535.290992	masses lipides attendues	Inhousejuil11	NA	NA
+MJ078442	Sulpinine C 	C32H41NO6	535.293388	NA	MeJP	NA	NA
+MJ078443	Terpendole C; 14?-Hydroxy 	C32H41NO6	535.293388	NA	MeJP	NA	NA
+MJ078444	Terpendole C; 33,34-Epoxide 	C32H41NO6	535.293388	NA	MeJP	NA	NA
+PJ004271	SSSKK 	C21H41N7O9	535.2966	NA	PeJP	NA	NA
+3545	ACE inhibitor	VHLAP	535.299	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ004272	LLQY 	C26H41N5O7	535.3006	NA	PeJP	NA	NA
+PJ004273	VVRY 	C25H41N7O6	535.3119	NA	PeJP	NA	NA
+MJ078445	Labiatamide A 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+MJ078446	Neoline; O8,O14-Di-Ac, O1-Me 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+MJ078447	Zygadenine; O3-Ac 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+PJ004274	LLKY 	C27H45N5O6	535.337	NA	PeJP	NA	NA
+HMDB11491	LysoPE(0:0/22:1(13Z))	C27H54NO7P	535.36377	NA	HMDB2010	NA	NA
+HMDB11521	LysoPE(22:1(13Z)/0:0)	C27H54NO7P	535.36377	NA	HMDB2010	NA	NA
+EUR751	Lyso PC 20:1 [M-H-CH3]-	C28H56NO7P	535.363792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR894	Lyso PE 22:1 monoisotopic mass 	C27H54NO7P	535.363792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR751	Lyso PC 20:1 [M-H-CH3]-	C28H56NO7P	535.363792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR894	Lyso PE 22:1 monoisotopic mass 	C27H54NO7P	535.363792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR751	Lyso PC 20:1 [M-H-CH3]-	C28H56NO7P	535.363792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR894	Lyso PE 22:1 monoisotopic mass 	C27H54NO7P	535.363792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR751	Lyso PC 20:1 [M-H-CH3]-	C28H56NO7P	535.363792	masses lipides attendues	Inhousejuil11	NA	NA
+EUR894	Lyso PE 22:1 monoisotopic mass 	C27H54NO7P	535.363792	masses lipides attendues	Inhousejuil11	NA	NA
+C12981	dl-alpha-Tocopherol nicotinate	C35H53NO3	535.4025	NA	KEGG	NA	NA
+C12982	Transferred to D01531	C35H53NO3	535.4025	NA	KEGG	NA	NA
+C12983	Transferred to D01532	C35H53NO3	535.4025	NA	KEGG	NA	NA
+C12984	Transferred to D01533	C35H53NO3	535.4025	NA	KEGG	NA	NA
+C12985	Transferred to D01534	C35H53NO3	535.4025	NA	KEGG	NA	NA
+MJ078448	2-Amino-4,11-octadecadiene-1,3-diol, N-Hexadecanoyl 	C34H65NO3	535.496444	NA	MeJP	NA	NA
+MJ078449	2-Amino-4,8-docosadiene-1,3-diol, N-Dodecanoyl 	C34H65NO3	535.496444	NA	MeJP	NA	NA
+MJ078450	2-Amino-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl 	C34H65NO3	535.496444	NA	MeJP	NA	NA
+HMDB01018	UDP-D-Xylose	C14H22N2O16P2	536.04443	http://www.hmdb.ca/metabolites/HMDB01018	HMDB	NA	NA
+HMDB01018	UDP-D-Xylose	C14H22N2O16P2	536.04443	HMDB01018	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01018	UDP-D-Xylose	C14H22N2O16P2	536.044434	NA	HMDB2010	NA	NA
+HMDB12301	UDP-D-apiose	C14H22N2O16P2	536.044434	NA	HMDB2010	NA	NA
+HMDB12303	UDP-L-arabinose	C14H22N2O16P2	536.044434	NA	HMDB2010	NA	NA
+MJ078451	UDP-D-xylose 	C14H22N2O16P2	536.044455	NA	MeJP	NA	NA
+MJ078452	UDP-L-arabinose 	C14H22N2O16P2	536.044455	NA	MeJP	NA	NA
+MJ078453	UDPapiose 	C14H22N2O16P2	536.044455	NA	MeJP	NA	NA
+MetaCyc03798	UDP-L-arabinose [UDP-arabinose;UDP-&beta;-L-arabinose;]	C14H22N2O16P2	536.044456	NA	metacyc	NA	NA
+MetaCyc03799	UDP-D-xylulose [UDP-xylulose;]	C14H22N2O16P2	536.044456	NA	metacyc	NA	NA
+MetaCyc03800	UDP-D-xylose [udp-xylose;UDP-&alpha;-D-xylose;]	C14H22N2O16P2	536.044456	06/06/3616	metacyc	NA	NA
+MetaCyc03801	UDP-D-apiose []	C14H22N2O16P2	536.044456	NA	metacyc	NA	NA
+C00190	UDP-D-xylose	C14H22N2O16P2	536.0445	NA	KEGG	NA	NA
+C00935	UDP-L-arabinose	C14H22N2O16P2	536.0445	NA	KEGG	NA	NA
+C01623	UDP-apiose	C14H22N2O16P2	536.0445	NA	KEGG	NA	NA
+C18094	UDP-L-arabinofuranose	C14H22N2O16P2	536.0445	NA	KEGG	NA	NA
+MJ078454	4-[[2-[6-(Aminosulfonyl)-7-chloro-1,2,3,4-tetrahydro-4-oxo-2-quinazolinyl]ethyl]thio]-1-(3-mercapto-2-methyl-1-oxopropyl)proline 	C19H25ClN4O6S3	536.062474	NA	MeJP	NA	NA
+MJ078455	?-Rubromycin 	C27H20O12	536.095476	NA	MeJP	NA	NA
+MJ078456	Sagecoumarin 	C27H20O12	536.095476	NA	MeJP	NA	NA
+MJ078457	Schizotenuin C1 	C27H20O12	536.095476	NA	MeJP	NA	NA
+MJ078458	Schizotenuin C2 	C27H20O12	536.095476	NA	MeJP	NA	NA
+MJ078459	Trilobatin C 	C27H20O12	536.095476	NA	MeJP	NA	NA
+MJ078460	Dendroamide B; S9-Oxide 	C21H24N6O5S3	536.097029	NA	MeJP	NA	NA
+MJ078461	1,5',8,10'-Tetrahydroxy-3-methoxy-2',6-dimethyl[2,9'-bianthracene]-1',4',9,10-tetrone 	C31H20O9	536.110732	NA	MeJP	NA	NA
+MJ078462	Ismailin 	C31H20O9	536.110732	NA	MeJP	NA	NA
+FL5FAHGL0006	Laricitrin 3-(6''-acetylglucoside)	C24H24O14	536.1166	174541-14-1	knapsack	NA	NA
+FL5FECGL0014	Patuletin 3-(6''-acetylglucoside)	C24H24O14	536.1166	118201-24-4	knapsack	NA	NA
+FL5FECGS0027	Jaceidin 4'-glucuronide	C24H24O14	536.1166	-	knapsack	NA	NA
+FL5FFCGS0020	Haploside A	C24H24O14	536.1166	75055-89-9	knapsack	NA	NA
+MJ078463	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O14	536.116605	NA	MeJP	NA	NA
+MJ078464	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(Acetyl-?-D-glucopyranoside) 	C24H24O14	536.116605	NA	MeJP	NA	NA
+MJ078465	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O14	536.116605	NA	MeJP	NA	NA
+MJ078466	3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C24H24O14	536.116605	NA	MeJP	NA	NA
+MJ078467	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 4'-O-?-D-Glucuronopyranoside 	C24H24O14	536.116605	NA	MeJP	NA	NA
+MJ078468	1,7-Dihydroxyxanthone; 1-Me ether, 7-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078469	1,7-Dihydroxyxanthone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078470	2',3',4',5,7,8-Hexahydroxyflavone; 2',3',7,8-Tetra-Me ether, 5-O-?-D-glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078471	2',3,4',5,5',7-Hexahydroxyflavone; 3,4',5',7-Tetra-Me ether, 2'-O-?-D-glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078472	2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether, 7-O-glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078473	2',4',5,5',7,8-Hexahydroxyisoflavone; 2',4',5',8-Tetra-Me ether, 7-O-?-D-glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078474	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 9,13,14-tri-Ac 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078475	3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone; 3'-O-?-D-Glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078476	3,4-Dihydro-4,5,8-trihydroxy-1(2H)-naphthalenone, 5-O-[(4-Hydroxy-3,5-dimethoxybenzoyl)-?-D-glucopyranoside] 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078477	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl], Me ester 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078478	4',5-Dihydroxy-3',6,7,8-tetramethoxyflavone; 4'-O-?-D-Galactopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078479	4',5-Dihydroxy-3,3',6,7-tetramethoxyflavone; 4'-O-?-D-Galactopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078480	4',5-Dihydroxy-3,3',6,7-tetramethoxyflavone; 4'-O-?-D-Glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078481	8-Glucosyl-2',4',5,5',6,7-hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078482	Clitoriacetal; 11-Deoxy, 6-O-?-D-glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078483	Clitoriacetal; 6-Deoxy, 11-O-?-D-glucopyranoside 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078484	Ibotalactone A 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078485	Monotropein; 10-O-(p-Hydroxy-E-cinnamoyl) 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078486	Monotropein; 10-O-(p-Hydroxy-Z-cinnamoyl) 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078487	Sweroside; 7R-(3,4-Dihydroxycinnamoyloxy) 	C25H28O13	536.15299	NA	MeJP	NA	NA
+MJ078488	Sweroside; 7S-(3,4-Dihydroxycinnamoyloxy) 	C25H28O13	536.15299	NA	MeJP	NA	NA
+FL3FFGCS0001	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside	C25H28O13	536.15299	-	knapsack	NA	NA
+FL3FFLGS0001	5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside	C25H28O13	536.15299	113963-42-1	knapsack	NA	NA
+FL5FALGS0003	Chrysosplenoside E	C25H28O13	536.15299	27625-90-7	knapsack	NA	NA
+FL5FECGS0034	Galactobuxin	C25H28O13	536.15299	133362-61-5	knapsack	NA	NA
+FL5FECGS0035	Chrysosplenin	C25H28O13	536.15299	23279-19-8	knapsack	NA	NA
+FL5FECGS0036	Casticin 3'-glucoside	C25H28O13	536.15299	71827-14-0	knapsack	NA	NA
+FLIAELCS0001	Dalpaniculin	C25H28O13	536.15299	133956-26-0	knapsack	NA	NA
+FLIAELGS0001	Caviunin 7-O-glucoside	C25H28O13	536.15299	50299-68-8	knapsack	NA	NA
+FLIAFLGS0001	Isocaviunin 7-O-glucoside;Isocaviudin	C25H28O13	536.15299	74148-49-5	knapsack	NA	NA
+PJ004275	GCNDE 	C18H28N6O11S	536.1537	NA	PeJP	NA	NA
+HMDB06944	1,4-beta-D-Glucan	C18H32O18	536.158875	NA	HMDB2010	NA	NA
+MJ078489	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C29H28O10	536.168247	NA	MeJP	NA	NA
+MJ078490	2,2'-Methylenebis[7-acetyl-3,6,8-trihydroxy-4,4-dimethyl]1(4H)naphthalenone 	C29H28O10	536.168247	NA	MeJP	NA	NA
+MJ078491	Deacyltaiwanschirin; 10-Benzoyl 	C29H28O10	536.168247	NA	MeJP	NA	NA
+MJ078492	Pannellin; 3'-Methoxy 	C29H28O10	536.168247	NA	MeJP	NA	NA
+MJ078493	Rocaglatic acid; 3'-Hydroxy, 1-O-formyl, Me ester 	C29H28O10	536.168247	NA	MeJP	NA	NA
+PJ004276	CNDW 	C22H28N6O8S	536.169	NA	PeJP	NA	NA
+PJ004277	SSNDD 	C18H28N6O13	536.1715	NA	PeJP	NA	NA
+PJ004278	SPCCQ 	C19H32N6O8S2	536.1723	NA	PeJP	NA	NA
+MJ078494	Arborescosidic acid; ?-D-Glucopyranosyl ester 	C22H32O15	536.17412	NA	MeJP	NA	NA
+MJ078495	Geniposidic acid; ?-D-Glucopyranosyl ester 	C22H32O15	536.17412	NA	MeJP	NA	NA
+MJ078496	Gonocaryoside B; Me ester, 5'-hydroxy 	C22H32O15	536.17412	NA	MeJP	NA	NA
+MJ078497	Swertiamarin; 6'-O-?-D-Glucopyranosyl 	C22H32O15	536.17412	NA	MeJP	NA	NA
+PJ004279	EEEM 	C20H32N4O11S	536.1789	NA	PeJP	NA	NA
+MJ078498	Asticolorin A; 29-Ketone 	C33H28O7	536.183503	NA	MeJP	NA	NA
+PJ004280	CMHF 	C23H32N6O5S2	536.1876	NA	PeJP	NA	NA
+FL2FEGGS0001	5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside	C26H32O12	536.18937	63355-11-3	knapsack	NA	NA
+FL4DAAGI0002	Phellavin	C26H32O12	536.18937	32507-67-8	knapsack	NA	NA
+MJ078499	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, 4-O-?-D-glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078500	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, O-?-D-glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078501	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, 4-O-?-D-glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078502	15,16-Epoxy-4-hydroxy-2,13(16),14-clerodatriene-17,12:18,1-diolide, 2?,3?-Epoxide, O-?-D-glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078503	3',4',5,5',6,7-Hexahydroxyflavanone, 3',4',5',6,7-Penta-Me ether, 5-O-?-L-rhamnopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078504	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3',4'-Di-Me ether, 4-O-?-D-glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078505	3,5-Dihydroxystilbene, Di-O-?-D-glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078506	8-Hydroxypinoresinol; 4'-O-?-D-Glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078507	8-Hydroxypinoresinol; 4-O-?-D-Glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078508	8-Hydroxypinoresinol; 8-O-?-D-Glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078509	Harpagide; 8-O-E-Cinnamoyl, 6'-Ac 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078510	Iridolinaroside B 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078511	Iridolinaroside C 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078512	Iridolinaroside D 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078513	Loganic acid; 2'-(4-Methoxycinnamoyl)(E-) 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078514	Loganic acid; 8-Epimer, 7-(4-methoxycinnamoyl)(E-) 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078515	Phellatin; 2,3-Dihydro 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078516	Tecomoside; 7-(4-Methoxycinnamoyl) (E-) 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078517	Verticillatoside A 	C26H32O12	536.189376	NA	MeJP	NA	NA
+MJ078518	Wikstromol, 4-O-?-D-Glucopyranoside 	C26H32O12	536.189376	NA	MeJP	NA	NA
+PJ004281	GSNEM 	C19H32N6O10S	536.1901	NA	PeJP	NA	NA
+PJ004282	DEHH 	C21H28N8O9	536.198	NA	PeJP	NA	NA
+MJ078519	Semotiadil 	C29H32N2O6S	536.198107	NA	MeJP	NA	NA
+PJ004283	GSCDR 	C18H32N8O9S	536.2013	NA	PeJP	NA	NA
+C10881	Schisantherin A	C30H32O9	536.2046	NA	KEGG	NA	NA
+C17684	Lappaol A	C30H32O9	536.2046	NA	KEGG	NA	NA
+MJ078520	Gomisin F; O7-Deangeloyl, 7-O-benzoyl 	C30H32O9	536.204632	NA	MeJP	NA	NA
+MJ078521	Gomisin P; 7,8-Diepimer, 7-benzoyl 	C30H32O9	536.204632	NA	MeJP	NA	NA
+MJ078522	Gomisin P; 7-Benzoyl 	C30H32O9	536.204632	NA	MeJP	NA	NA
+MJ078523	Hedyotol A 	C30H32O9	536.204632	NA	MeJP	NA	NA
+MJ078524	Herpetotriol 	C30H32O9	536.204632	NA	MeJP	NA	NA
+MJ078525	Lappaol A 	C30H32O9	536.204632	NA	MeJP	NA	NA
+PJ004284	SNMW 	C23H32N6O7S	536.2053	NA	PeJP	NA	NA
+PJ004285	GGGPCF 	C23H32N6O7S	536.2054	NA	PeJP	NA	NA
+PJ004286	SSSQE 	C19H32N6O12	536.2078	NA	PeJP	NA	NA
+PJ004287	QQMM 	C20H36N6O7S2	536.2087	NA	PeJP	NA	NA
+MJ078526	3-Pentyl-1,2,4,5-benzenetetrol; 2,4-Di-O-?-D-glucopyranoside 	C23H36O14	536.210505	NA	MeJP	NA	NA
+PJ004288	PEEY 	C24H32N4O10	536.2119	NA	PeJP	NA	NA
+PJ004289	CQMR 	C19H36N8O6S2	536.2199	NA	PeJP	NA	NA
+PJ004290	GSSTW 	C23H32N6O9	536.2231	NA	PeJP	NA	NA
+MJ078527	1,2,3,6,8,14-Hexahydroxytricyclo[4.2.110,30.11,4]meliac-7-oic acid, Me ester 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078528	15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-17,6-olid-18-oic acid, 12-O-?-D-Glucopyranoside, Me ester 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078529	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2-O-?-D-Glucopyranoside, Me ester 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078530	15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, O-?-D-Glucoside, Me ester 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078531	15,16-Epoxy-6-hydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078532	2,8,9,14,16-Pentahydroxy-5,11-briaradien-18,7-olide, 16-Carboxylic acid, 2,9,14-tri-Ac, Me ester 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078533	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-propanoyl, 4,14-di-Ac 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078534	Bruceanol A; 15-Deacyl, 15-hexanoyl 	C27H36O11	536.225761	NA	MeJP	NA	NA
+MJ078535	Simalikalactone D; 2'-Acetoxy 	C27H36O11	536.225761	NA	MeJP	NA	NA
+HMDB10345	Aldosterone 18-glucuronide	C27H36O11	536.225769	NA	HMDB2010	NA	NA
+PJ004291	GSDKM 	C20H36N6O9S	536.2265	NA	PeJP	NA	NA
+PJ004292	CCRR 	C18H36N10O5S2	536.2312	NA	PeJP	NA	NA
+MJ078536	Griseococcin D 	C21H36N4O12	536.232972	NA	MeJP	NA	NA
+MJ078537	N,N'-1,2-Ethanediylbis[N-[(3,4,5-trimethoxyphenyl)methyl]glycine] 	C26H36N2O10	536.236995	NA	MeJP	NA	NA
+PJ004293	GSSMR 	C19H36N8O8S	536.2377	NA	PeJP	NA	NA
+PJ004294	GQFW 	C27H32N6O6	536.2384	NA	PeJP	NA	NA
+MJ078538	1,2,4,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2-Ac 	C31H36O8	536.241018	NA	MeJP	NA	NA
+MJ078539	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6-Ac 	C31H36O8	536.241018	NA	MeJP	NA	NA
+MJ078540	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6-Ac 	C31H36O8	536.241018	NA	MeJP	NA	NA
+MJ078541	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-Ac 	C31H36O8	536.241018	NA	MeJP	NA	NA
+MJ078542	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6-Ac 	C31H36O8	536.241018	NA	MeJP	NA	NA
+MJ078543	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 6-Ac 	C31H36O8	536.241018	NA	MeJP	NA	NA
+PJ004295	TCKW 	C24H36N6O6S	536.2417	NA	PeJP	NA	NA
+MJ078544	Okaramine E 	C32H32N4O4	536.242355	NA	MeJP	NA	NA
+MJ078545	Okaramine R 	C32H32N4O4	536.242355	NA	MeJP	NA	NA
+PJ004296	SSSKE 	C20H36N6O11	536.2442	NA	PeJP	NA	NA
+PJ004297	QKMM 	C21H40N6O6S2	536.2451	NA	PeJP	NA	NA
+3826	peptide from soybean b-conglycinin (Glycine max)	LVNPHDHQN	536.24535	MH2+	Inhouse_peptide	NA	peptide
+PJ004298	LEEF 	C25H36N4O9	536.2483	NA	PeJP	NA	NA
+PJ004299	PHHF 	C26H32N8O5	536.2496	NA	PeJP	NA	NA
+MJ078546	Manumycin C 	C30H36N2O7	536.252251	NA	MeJP	NA	NA
+PJ004300	LMHH 	C23H36N8O5S	536.253	NA	PeJP	NA	NA
+PJ004301	SSSTR 	C19H36N8O10	536.2555	NA	PeJP	NA	NA
+PJ004302	CKMR 	C20H40N8O5S2	536.2563	NA	PeJP	NA	NA
+PJ004303	VQQY 	C24H36N6O8	536.2595	NA	PeJP	NA	NA
+MJ078547	16-Kaurene-1,3,6,7,11,15-hexol, 1,6,11,15-Tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078548	16-Kaurene-1,3,6,7,11,15-hexol, 1,6,7,11-Tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078549	16-Kaurene-1,3,6,7,11,15-hexol, 6,7,11,15-Tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078550	2,3,5,12,14,20-Hexahydroxy-6,22-dioxoergost-7-en-26,28-olide 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078551	2,9,12,14-Tetrahydroxy-5,8(17)-briaradien-18,7-olide; 8?,17?-Epoxide, 2-butanoyl, 9,14-di-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078552	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 2,7,9,10-Tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078553	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 7,9,10,13-Tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078554	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Methylpropanoyl), 6,19-di-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078555	4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-(2-Methylpropanoyl), 11,19-di-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078556	6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, 9-Ketone, 2,3,4,12-tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078557	6,13-Epoxy-8(19)-eunicellene-2,3,4,9,12-pentol, 9-Ketone, 2,3,4,12-tetra-Ac 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078558	Glaucarubol; 2-Ketone, 15-O-(3-ethyl-3S-hydroxy-4-methylpentanoyl) 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078559	Glaucogenin C; 7?-Hydroxy, 3-O-?-D-thevetopyranoside 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078560	Sambacein I; 10-Deacyl 	C28H40O10	536.262147	NA	MeJP	NA	NA
+MJ078561	Sambacein I; 7-Deacyl 	C28H40O10	536.262147	NA	MeJP	NA	NA
+PJ004304	GTTKM 	C21H40N6O8S	536.2629	NA	PeJP	NA	NA
+MJ078562	Asterriquinol D; 1',1''-Bis(1,1-dimethyl-2-propenyl) 	C34H36N2O4	536.267507	NA	MeJP	NA	NA
+C07773	Ambenonium	C28H42Cl2N4O2	536.2685	NA	KEGG	NA	NA
+PJ004305	AQRY 	C23H36N8O7	536.2707	NA	PeJP	NA	NA
+2775	protease HIV 1 inhibitor	LLEY	536.273	NA	Inhouse_peptide	NA	peptide
+PJ004306	GKFW 	C28H36N6O5	536.2747	NA	PeJP	NA	NA
+MJ078563	14,20:18,20-Diepoxypregnane-3,11,12-triol, 12-Cinnamoyl, 11-Ac 	C32H40O7	536.277403	NA	MeJP	NA	NA
+MJ078564	Lathyrol; 3-(Phenylacetyl), 5,15-di-Ac 	C32H40O7	536.277403	NA	MeJP	NA	NA
+MJ078565	Mozenavir 	C33H36N4O3	536.278741	NA	MeJP	NA	NA
+PJ004307	STTTK 	C21H40N6O10	536.2806	NA	PeJP	NA	NA
+PJ004308	KKMM 	C22H44N6O5S2	536.2815	NA	PeJP	NA	NA
+PJ004309	PQHR 	C22H36N10O6	536.282	NA	PeJP	NA	NA
+2620	synthetic fr,of human beta-CN (77-81) ACE inhibitor	PVPQP	536.282	NA	Inhouse_peptide	NA	peptide
+MJ078566	5-Megastigmene-3,9-diol, 3,9-Di-O-?-D-glucopyranoside 	C25H44O12	536.283276	NA	MeJP	NA	NA
+MJ078567	7-Megastigmene-3,9-diol, 3,9-Di-O-?-D-glucopyranoside 	C25H44O12	536.283276	NA	MeJP	NA	NA
+PJ004310	LLEY 	C26H40N4O8	536.2846	NA	PeJP	NA	NA
+MJ078568	Senegenin 	C30H45ClO6	536.290466	NA	MeJP	NA	NA
+MJ078569	2-[4-(3,5-Dihydroxy-2-biphenylyl)-2,2-dimethylbutyl]-2,3-dihydro-6-hydroxy-3,3-dimethyl-4-phenylbenzofuran; 4',6-Di-Me ether 	C36H40O4	536.292659	NA	MeJP	NA	NA
+PJ004311	VQKY 	C25H40N6O7	536.2959	NA	PeJP	NA	NA
+C08877	Rhodexin A	C29H44O9	536.2985	NA	KEGG	NA	NA
+C17522	Mallogenin-3-o-alpha-L-rhamnopyranoside	C29H44O9	536.2985	NA	KEGG	NA	NA
+C17524	Coroglaucigenin-3-o-alpha-L-rhamnopyranoside	C29H44O9	536.2985	NA	KEGG	NA	NA
+MJ078570	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078571	15,17-Epoxy-6,15,17-trihydroxy-16-isocopalanoic acid, 6-Butanoyl,15,17-di-Ac, Me ester 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078572	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078573	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-D-gulopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078574	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078575	3,12,14,16-Tetrahydroxycard-20(22)-enolide, 3-O-Digitoxoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078576	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078577	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-Fucoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078578	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078579	3,14,17-Trihydroxycard-20(22)-enolide, 3-O-D-Allomethyloside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078580	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-glucopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078581	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078582	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078583	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-Rhamnoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078584	3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078585	3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078586	3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078587	3,14-Dihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078588	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078589	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-D-ribo-hexopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078590	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2-Deoxy-?-D-lyxo-hexopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078591	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2-Deoxy-?-D-xylo-hexopyranoside) 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078592	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078593	4,18:11,16:15,16-Triepoxy-1,6,19-clerodanetriol, 1-(2-Methylbutanoyl), 6,19-di-Ac 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078594	Actodigigenin; 3-O-?-D-Glucopyranoside 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078595	SK 1 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078596	Sengosterone 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078597	Soraphen A; 12-Methoxy(Z-), 11-O-de-Me 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078598	Soraphen A; 8?-Hydroxy 	C29H44O9	536.298533	NA	MeJP	NA	NA
+MJ078599	Aphelandrine, 17,18-Diepimer, 30-methoxy, Me ether 	C30H40N4O5	536.29987	NA	MeJP	NA	NA
+MJ078600	Melonovine B 	C30H40N4O5	536.29987	NA	MeJP	NA	NA
+MJ078601	Schweinine 	C30H40N4O5	536.29987	NA	MeJP	NA	NA
+PJ004312	AKRY 	C24H40N8O6	536.3071	NA	PeJP	NA	NA
+MJ078602	Vitixanthin; 4,5-Dihydro 	C33H44O6	536.313789	NA	MeJP	NA	NA
+MJ078603	Cycloart-24-ene-3,23,28-triol, 23-Ketone, 3-O-sulfate 	C30H48O6S	536.317159	NA	MeJP	NA	NA
+MJ078604	Cycloart-24-ene-3,23,28-triol; 3?-form, 23-Ketone, 28-O-sulfate 	C30H48O6S	536.317159	NA	MeJP	NA	NA
+MJ078605	Ergosta-5,24(28)-diene-3,7-diol, 3-Sulfate, 7-Ac 	C30H48O6S	536.317159	NA	MeJP	NA	NA
+PJ004313	PKHR 	C23H40N10O5	536.3183	NA	PeJP	NA	NA
+MJ078606	Glidobactin D 	C27H44N4O7	536.320999	NA	MeJP	NA	NA
+MJ078607	Glidobactin G 	C27H44N4O7	536.320999	NA	MeJP	NA	NA
+MJ078608	dobactin E 	C27H44N4O7	536.320999	NA	MeJP	NA	NA
+MJ078609	Annotine; 1:1 Complex with Acrifoline GPC47-P 	C32H44N2O5	536.325022	NA	MeJP	NA	NA
+PJ004314	VKKY 	C26H44N6O6	536.3322	NA	PeJP	NA	NA
+PJ004315	PPPVK 	C26H44N6O6	536.3323	NA	PeJP	NA	NA
+MJ078610	15-Hydroxy-3,4-seco-4(18),7-labdadien-3-oic acid, 15-O-[4-O-(Methylpropenoyl)-?-L-arabinopyranoside] 	C30H48O8	536.334918	NA	MeJP	NA	NA
+MJ078611	2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 20,22-O-Isopropylidene 	C30H48O8	536.334918	NA	MeJP	NA	NA
+MJ078612	Calyculaglycoside B 	C30H48O8	536.334918	NA	MeJP	NA	NA
+MJ078613	Ergosta-7,22-diene-2,3,5,6,9,11,19-heptol, 11-Ac 	C30H48O8	536.334918	NA	MeJP	NA	NA
+MJ078614	Bengazole Z; O2-(14-Methylpentadecanoyl) 	C29H48N2O7	536.346151	NA	MeJP	NA	NA
+MJ078615	Bengazole Z; O2-Hexadecanoyl 	C29H48N2O7	536.346151	NA	MeJP	NA	NA
+MJ078616	Bengazole Z; O6-(14-Methylpentadecanoyl) 	C29H48N2O7	536.346151	NA	MeJP	NA	NA
+MJ078617	Bengazole Z; O6-Hexadecanoyl 	C29H48N2O7	536.346151	NA	MeJP	NA	NA
+MJ078618	Baleabuxidine I; N20,N20-Di-Me,N3-benzoyl 	C33H48N2O4	536.361408	NA	MeJP	NA	NA
+MJ078619	1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid 	C31H52O7	536.371304	NA	MeJP	NA	NA
+MJ078620	1,3,20,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid 	C31H52O7	536.371304	NA	MeJP	NA	NA
+MJ078621	1,3,22,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid 	C31H52O7	536.371304	NA	MeJP	NA	NA
+MJ078622	Hyperforin 	C35H52O4	536.38656	NA	MeJP	NA	NA
+C07608	Hyperforin	C35H52O4	536.3866	NA	KEGG	NA	NA
+MJ078623	Quassiol A; 18-Ac 	C32H56O6	536.407689	NA	MeJP	NA	NA
+HMDB00561	b-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB00561	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03000	Lycopene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB03000	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03993	alpha-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB03993	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00561	b-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB00561	HMDB	NA	NA
+HMDB02297	cis-y,y-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB02297	HMDB	NA	NA
+HMDB02935	cis-b,b-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB02935	HMDB	NA	NA
+HMDB03000	Lycopene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB03000	HMDB	NA	NA
+HMDB03993	alpha-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB03993	HMDB	NA	NA
+HMDB00561	b-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB00561	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03000	Lycopene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB03000	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03993	alpha-Carotene	C40H56	536.43817	http://www.hmdb.ca/metabolites/HMDB03993	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00561	b-Carotene	C40H56	536.43817	HMDB00561	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02297	cis-y,y-Carotene	C40H56	536.43817	HMDB02297	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02935	cis-b,b-Carotene	C40H56	536.43817	HMDB02935	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03000	Lycopene	C40H56	536.43817	HMDB03000	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03993	alpha-Carotene	C40H56	536.43817	HMDB03993	PFEM_hmdb_metabocards_official	NA	NA
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR191	Lycopene	C40H56	536.4382	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR189	?-Carotene	C40H56	536.4382	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR190	?-Carotene	C40H56	536.4382	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR191	Lycopene	C40H56	536.4382	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR189	?-Carotene	C40H56	536.4382	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR190	?-Carotene	C40H56	536.4382	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR191	Lycopene	C40H56	536.4382	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR189	?-Carotene	C40H56	536.4382	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR190	?-Carotene	C40H56	536.4382	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR191	Lycopene	C40H56	536.4382	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	HMDB	NA	NA
+EUR191	Lycopene	C40H56	536.4382	Wishlist	HMDB	NA	NA
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	Inhouse_PFEM	NA	NA
+EUR191	Lycopene	C40H56	536.4382	Wishlist	Inhouse_PFEM	NA	NA
+EUR189	?-Carotene	C40H56	536.4382	Wishlist	Inhousejuil11	NA	NA
+EUR190	?-Carotene	C40H56	536.4382	Wishlist	Inhousejuil11	NA	NA
+EUR191	Lycopene	C40H56	536.4382	Wishlist	Inhousejuil11	NA	NA
+C02094	beta-Carotene	C40H56	536.4382	NA	KEGG	NA	NA
+C05432	Lycopene	C40H56	536.4382	NA	KEGG	NA	NA
+C05433	alpha-Carotene	C40H56	536.4382	NA	KEGG	NA	NA
+C05435	gamma-Carotene	C40H56	536.4382	NA	KEGG	NA	NA
+C08586	delta-Carotene	C40H56	536.4382	NA	KEGG	NA	NA
+C15858	7,9,7',9'-Tetra-cis-lycopene	C40H56	536.4382	NA	KEGG	NA	NA
+C16276	epsilon-Carotene	C40H56	536.4382	NA	KEGG	NA	NA
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR191	Lycopene	C40H56	536.4382	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR189	Beta-Carotene	C40H56	536.4382	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR191	Lycopene	C40H56	536.4382	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ078624	3,4-Didehydro-1,2-dihydrolycopene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078625	?,?-Carotene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078626	?-Carotene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078627	Lycopene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078628	?-Carotene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078629	Lycopene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078630	alpha-Carotene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078631	beta-Carotene 	C40H56	536.438201	NA	MeJP	NA	NA
+MJ078632	gamma-Carotene 	C40H56	536.438201	NA	MeJP	NA	NA
+MetaCyc03802	&beta;-carotene []	C40H56	536.438202	7235-40-7	metacyc	NA	NA
+MetaCyc03803	&gamma;-carotene [&beta;,&psi;-carotene;]	C40H56	536.438202	NA	metacyc	NA	NA
+MetaCyc03804	&alpha;-carotene []	C40H56	536.438202	NA	metacyc	NA	NA
+MetaCyc03805	&delta;-carotene [&epsilon;,&psi;-carotene;]	C40H56	536.438202	NA	metacyc	NA	NA
+MetaCyc03806	trans-lycopene [&psi;,&psi;-carotene;]	C40H56	536.438202	NA	metacyc	NA	NA
+MetaCyc03807	7,9-di-cis-lycopene []	C40H56	536.438202	NA	metacyc	NA	NA
+MetaCyc03808	prolycopene [7,9,9',7'-tetra-cis-lycopene;]	C40H56	536.438202	NA	metacyc	NA	NA
+MetaCyc03809	&epsilon;-carotene [&epsilon;,&epsilon;-carotene;]	C40H56	536.438202	NA	metacyc	NA	NA
+HMDB00561	B-Carotene	C40H56	536.438232	NA	HMDB2010	NA	NA
+HMDB02297	cis-y,y-Carotene	C40H56	536.438232	NA	HMDB2010	NA	NA
+HMDB02935	cis-b,b-Carotene	C40H56	536.438232	NA	HMDB2010	NA	NA
+HMDB03000	Lycopene	C40H56	536.438232	NA	HMDB2010	NA	NA
+HMDB03993	Alpha-Carotene	C40H56	536.438232	NA	HMDB2010	NA	NA
+MJ078633	Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene (24-epimer 1) 	C33H60O5	536.444075	NA	MeJP	NA	NA
+MJ078634	Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene (24-epimer 2) 	C33H60O5	536.444075	NA	MeJP	NA	NA
+HMDB07041	DG(14:1(9Z)/16:1(9Z)/0:0)	C33H60O5	536.444092	NA	HMDB2010	NA	NA
+HMDB07125	DG(16:1(9Z)/14:1(9Z)/0:0)	C33H60O5	536.444092	NA	HMDB2010	NA	NA
+MJ078635	2,4,6,8-Tetramethyldotriacontanoic acid 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078636	2,4,6-Trimethyltridecanoic acid; Eicosyl ester 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078637	25-Hydroxy-33-methyl-6-pentatriacontanone 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078638	34-Hydroxy-4-hexatriacontanone 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078639	Hentriacontanoic acid; Pentyl ester 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078640	Hexatriacontanoic acid 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078641	Triacontanoic acid; Hexyl ester 	C36H72O2	536.553231	NA	MeJP	NA	NA
+MJ078642	1-Heptatriacontanol 	C37H76O	536.589617	NA	MeJP	NA	NA
+MJ078643	10,11,32-Trimethyl-1-tetratriacontanol 	C37H76O	536.589617	NA	MeJP	NA	NA
+MJ078644	Sporidesmin G 	C18H20ClN3O6S4	536.992345	NA	MeJP	NA	NA
+MJ078645	CDPribitol 	C14H25N3O15P2	537.07609	NA	MeJP	NA	NA
+MetaCyc03810	CDP-ribitol []	C14H25N3O15P2	537.07609	NA	metacyc	NA	NA
+C00789	CDP-ribitol	C14H25N3O15P2	537.0761	NA	KEGG	NA	NA
+MJ078646	Laccaic acid A1 	C26H19NO12	537.090725	NA	MeJP	NA	NA
+MJ078647	Dynemicin A 	C30H19NO9	537.105981	NA	MeJP	NA	NA
+MJ078648	Endynamicin A 	C30H19NO9	537.105981	NA	MeJP	NA	NA
+C11471	Dynemicin A	C30H19NO9	537.106	NA	KEGG	NA	NA
+MJ078649	Antibiotic FR 86521 	C19H24N9O6S2(+)	537.12127	NA	MeJP	NA	NA
+MJ078650	10-(Methylthio)decyl glucosinolate; S,S-Dioxide 	C18H35NO11S3	537.137223	NA	MeJP	NA	NA
+PJ004316	GCDDE 	C18H27N5O12S	537.1377	NA	PeJP	NA	NA
+PJ004317	CDDW 	C22H27N5O9S	537.153	NA	PeJP	NA	NA
+MJ078651	Kirigamycin B 	C18H27N5O14	537.15545	NA	MeJP	NA	NA
+PJ004318	SSDDD 	C18H27N5O14	537.1555	NA	PeJP	NA	NA
+PJ004319	SPCCE 	C19H31N5O9S2	537.1563	NA	PeJP	NA	NA
+PJ004320	GCNNM 	C18H31N7O8S2	537.1676	NA	PeJP	NA	NA
+MJ078652	Aureonuclemycin; O9-Me, O4-(2-hydroxymethylbutenoyl) 	C22H27N5O11	537.170706	NA	MeJP	NA	NA
+PJ004321	GSDEM 	C19H31N5O11S	537.1741	NA	PeJP	NA	NA
+PJ004322	GPCMM 	C20H35N5O6S3	537.175	NA	PeJP	NA	NA
+MJ078653	Asaphan, 4''-Hydroxy 	C26H33Cl2N3O5	537.179726	NA	MeJP	NA	NA
+MJ078654	Cripowellin A 	C25H31NO12	537.184625	NA	MeJP	NA	NA
+MJ078655	Simmondsin; 3-O-De-Me, 2'-(4-hydroxy-3-methoxy-Z-cinnamoyl) 	C25H31NO12	537.184625	NA	MeJP	NA	NA
+MJ078656	Simmondsin; 4-O-De-Me, 2'-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C25H31NO12	537.184625	NA	MeJP	NA	NA
+PJ004323	SSCNQ 	C18H31N7O10S	537.1853	NA	PeJP	NA	NA
+PJ004324	SDMW 	C23H31N5O8S	537.1894	NA	PeJP	NA	NA
+PJ004325	SSTDE 	C19H31N5O13	537.1918	NA	PeJP	NA	NA
+PJ004326	SSSEE 	C19H31N5O13	537.1919	NA	PeJP	NA	NA
+PJ004327	QEMM 	C20H35N5O8S2	537.1927	NA	PeJP	NA	NA
+MJ078657	Ravidomycin; O-De-Ac, N-oxide 	C29H31NO9	537.199881	NA	MeJP	NA	NA
+PJ004328	GSSSSN 	C18H31N7O12	537.2031	NA	PeJP	NA	NA
+PJ004329	CEMR 	C19H35N7O7S2	537.204	NA	PeJP	NA	NA
+PJ004330	GSPDY 	C23H31N5O10	537.2071	NA	PeJP	NA	NA
+PJ004331	AMMW 	C24H35N5O5S2	537.208	NA	PeJP	NA	NA
+PJ004332	GTTEM 	C20H35N5O10S	537.2105	NA	PeJP	NA	NA
+MJ078658	Saframycin A; Decyano 	C28H31N3O8	537.211114	NA	MeJP	NA	NA
+PJ004333	NMHH 	C21H31N9O6S	537.2118	NA	PeJP	NA	NA
+PJ004334	NNQY 	C22H31N7O9	537.2183	NA	PeJP	NA	NA
+PJ004335	GGGGQY 	C22H31N7O9	537.2184	NA	PeJP	NA	NA
+MJ078659	Ipecosidic acid; 1-Epimer, 6,7-di-Me ether, N-de-Ac 	C26H35NO11	537.22101	NA	MeJP	NA	NA
+PJ004336	SSCNK 	C19H35N7O9S	537.2217	NA	PeJP	NA	NA
+PJ004337	GEFW 	C27H31N5O7	537.2224	NA	PeJP	NA	NA
+PJ004338	TTMW 	C24H35N5O7S	537.2257	NA	PeJP	NA	NA
+PJ004339	STTTE 	C20H35N5O12	537.2282	NA	PeJP	NA	NA
+PJ004340	KEMM 	C21H39N5O7S2	537.2291	NA	PeJP	NA	NA
+PJ004341	GSTHH 	C21H31N9O8	537.2296	NA	PeJP	NA	NA
+MJ078660	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 9-benzoyl, 1-Ac 	C30H35NO8	537.236267	NA	MeJP	NA	NA
+MJ078661	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-benzoyl, 1-Ac 	C30H35NO8	537.236267	NA	MeJP	NA	NA
+MJ078662	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1-Ac 	C30H35NO8	537.236267	NA	MeJP	NA	NA
+MJ078663	Ipalbidine, O-[4--Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H35NO8	537.236267	NA	MeJP	NA	NA
+MJ078664	Ipalbidine, O-[4--Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H35NO8	537.236267	NA	MeJP	NA	NA
+MJ078665	Yaoundamine A; 6-O-?-L-Rhamnopyranoside 	C30H35NO8	537.236267	NA	MeJP	NA	NA
+PJ004342	PCRY 	C23H35N7O6S	537.237	NA	PeJP	NA	NA
+PJ004343	FWW 	C31H31N5O4	537.2376	NA	PeJP	NA	NA
+PJ004344	TMMR 	C20H39N7O6S2	537.2403	NA	PeJP	NA	NA
+PJ004345	VQEY 	C24H35N5O9	537.2435	NA	PeJP	NA	NA
+PJ004346	SSTLM 	C21H39N5O9S	537.2469	NA	PeJP	NA	NA
+PJ004347	AERY 	C23H35N7O8	537.2547	NA	PeJP	NA	NA
+PJ004348	GLYW 	C28H35N5O6	537.2588	NA	PeJP	NA	NA
+PJ004349	PKMY 	C25H39N5O6S	537.2621	NA	PeJP	NA	NA
+PJ004350	PEHR 	C22H35N9O7	537.266	NA	PeJP	NA	NA
+PJ004351	PVHW 	C27H35N7O5	537.27	NA	PeJP	NA	NA
+MJ078666	Lythrancine I; 3-Epimer, O3, O11-di-Ac 	C31H39NO7	537.272652	NA	MeJP	NA	NA
+MJ078667	Lythrancine I; 3-Epimer, O3,O4-di-Ac 	C31H39NO7	537.272652	NA	MeJP	NA	NA
+MJ078668	Lythrancine I; O3,O11-Di-Ac 	C31H39NO7	537.272652	NA	MeJP	NA	NA
+PJ004352	CLFR 	C24H39N7O5S	537.2734	NA	PeJP	NA	NA
+JH240	Taurocholic acid [M+Na]+	NA	537.2772	25.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH240	Taurocholic acid [M+Na]+	NA	537.2772	25.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH240	Taurocholic acid [M+Na]+	NA	537.2772	25.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH240	Taurocholic acid [M+Na]+	NA	537.2772	25.3	Inhousejuil11	NA	NA
+PJ004353	VKEY 	C25H39N5O8	537.2799	NA	PeJP	NA	NA
+EUR745	Lyso PC 18:4 [M+Na]+	C26H46NO7P	537.283138	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR745	Lyso PC 18:4 [M+Na]+	C26H46NO7P	537.283138	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR745	Lyso PC 18:4 [M+Na]+	C26H46NO7P	537.283138	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR745	Lyso PC 18:4 [M+Na]+	C26H46NO7P	537.283138	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004354	SLRY 	C24H39N7O7	537.2911	NA	PeJP	NA	NA
+PJ004355	PKFF 	C29H39N5O5	537.2951	NA	PeJP	NA	NA
+PJ004356	LKMF 	C26H43N5O5S	537.2985	NA	PeJP	NA	NA
+MJ078669	Butirosin A; 3',4'-Dideoxy, 6'-N-Me 	C22H43N5O10	537.300992	NA	MeJP	NA	NA
+MJ078670	Butirosin A; 3',4'-Dideoxy, 6'-N-methyl, 3''-epimer 	C22H43N5O10	537.300992	NA	MeJP	NA	NA
+EUR848	Lyso PE 18:2 [M-H+acetate]-	C23H44NO7P	537.306642	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR848	Lyso PE 18:2 [M-H+acetate]-	C23H44NO7P	537.306642	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR848	Lyso PE 18:2 [M-H+acetate]-	C23H44NO7P	537.306642	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR848	Lyso PE 18:2 [M-H+acetate]-	C23H44NO7P	537.306642	masses lipides attendues	Inhousejuil11	NA	NA
+3259	beta-lactokinin	HIRL	537.327	celiac toxic	Inhouse_peptide	NA	peptide
+PJ004357	GVLLH 	C25H43N7O6	537.3275	NA	PeJP	NA	NA
+MJ078671	Browniine; O14-(2-Methylpropanoyl) 	C29H47NO8	537.330167	NA	MeJP	NA	NA
+MJ078672	Mycinamycin II; 14-Deoxy, 21-O-demycinosyl 	C29H47NO8	537.330167	NA	MeJP	NA	NA
+MJ078673	Sabine; O3-Ac 	C29H47NO8	537.330167	NA	MeJP	NA	NA
+PJ004358	LLHR 	C24H43N9O5	537.3387	NA	PeJP	NA	NA
+2657	synthetic fr, of human beta-CN (161-165) ACE inhibitor	VLPIP	537.34	NA	Inhouse_peptide	NA	peptide
+PJ004359	PPVLL 	C27H47N5O6	537.3527	NA	PeJP	NA	NA
+EUR741	Lyso PC 20:0 [M-H-CH3]-	C28H58NO7P	537.379442	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR889	Lyso PE 22:0 monoisotopic mass 	C27H56NO7P	537.379442	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR741	Lyso PC 20:0 [M-H-CH3]-	C28H58NO7P	537.379442	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR889	Lyso PE 22:0 monoisotopic mass 	C27H56NO7P	537.379442	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR741	Lyso PC 20:0 [M-H-CH3]-	C28H58NO7P	537.379442	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR889	Lyso PE 22:0 monoisotopic mass 	C27H56NO7P	537.379442	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR741	Lyso PC 20:0 [M-H-CH3]-	C28H58NO7P	537.379442	masses lipides attendues	Inhousejuil11	NA	NA
+EUR889	Lyso PE 22:0 monoisotopic mass 	C27H56NO7P	537.379442	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11490	LysoPE(0:0/22:0)	C27H56NO7P	537.379456	NA	HMDB2010	NA	NA
+HMDB11520	LysoPE(22:0/0:0)	C27H56NO7P	537.379456	NA	HMDB2010	NA	NA
+MJ078674	Nabazenil 	C35H55NO3	537.418194	NA	MeJP	NA	NA
+HMDB00790	N-Palmitoylsphingosine	C34H67NO3	537.51208	http://www.hmdb.ca/metabolites/HMDB00790	HMDB	NA	NA
+HMDB04949	Ceramide (d18:1/16:0)	C34H67NO3	537.51208	http://www.hmdb.ca/metabolites/HMDB04949	HMDB	NA	NA
+HMDB00790	N-Palmitoylsphingosine	C34H67NO3	537.51208	HMDB00790	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04949	Ceramide (d18:1/16:0)	C34H67NO3	537.51208	HMDB04949	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00790	N-Palmitoylsphingosine	C34H67NO3	537.512085	NA	HMDB2010	NA	NA
+HMDB04949	Ceramide (d18:1/16:0)	C34H67NO3	537.512085	NA	HMDB2010	NA	NA
+MJ078675	2-Amino-4-octadecene-1,3-diol, N-Hexadecanoyl 	C34H67NO3	537.512095	NA	MeJP	NA	NA
+7352	celiac sprue gluten epitope found in omega-gliadin	PYPQQPYPS	537.741	MH2+	Inhouse_peptide	NA	peptide
+MJ078676	Amathamide E; N-Me, 15-methoxy 	C17H21Br3N2O3	537.91023	NA	MeJP	NA	NA
+MJ078677	Securamine C; 18-Bromo 	C20H17Br2ClN4O2	537.940678	NA	MeJP	NA	NA
+MJ078678	?-Rubromycin; 4?-Hydroxy 	C26H18O13	538.07474	NA	MeJP	NA	NA
+MJ078679	Laccaic acid B; 2''-Ac 	C26H18O13	538.07474	NA	MeJP	NA	NA
+MJ078680	3',5-Bigenistein 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078681	4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078682	5,5'',6,6'',7,7''-Hexahydroxy-8,8''-biflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078683	8,8-Bi(4',5,7-trihydroxyflavone) 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078684	Agathisflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078685	Amentoflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078686	Cassiamin C; 6,6'-Dihydroxy 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078687	Cladofulvin 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078688	Disulfuretin 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078689	Hinokiflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078690	Iridoskyrine 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078691	Isoskyrin 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078692	Kudzuisoflavone A; 5,5'''-Dihydroxy 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078693	Lanaroflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078694	Madagascarin 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078695	Ochnaflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078696	Rhodoislandin A 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078697	Rhodoislandin B 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078698	Robustaflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078699	Sennidin 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078700	Skyrin 	C30H18O10	538.089996	NA	MeJP	NA	NA
+MJ078701	Taiwaniaflavone 	C30H18O10	538.089996	NA	MeJP	NA	NA
+C10017	Agathisflavone	C30H18O10	538.09	NA	KEGG	NA	NA
+C10018	Amentoflavone	C30H18O10	538.09	NA	KEGG	NA	NA
+C10034	Cupressuflavone	C30H18O10	538.09	NA	KEGG	NA	NA
+C10057	Hinokiflavone	C30H18O10	538.09	NA	KEGG	NA	NA
+C10179	Robustaflavone	C30H18O10	538.09	NA	KEGG	NA	NA
+HMDB02895	Sennidin B	C30H18O10	538.090027	NA	HMDB2010	NA	NA
+HMDB02895	Sennidin B	C30H18O10	538.09003	http://www.hmdb.ca/metabolites/HMDB02895	HMDB	NA	NA
+HMDB02895	Sennidin B	C30H18O10	538.09003	HMDB02895	PFEM_hmdb_metabocards_official	NA	NA
+MJ078702	Irieol F; 10-Ac 	C22H36Br2O5	538.092949	NA	MeJP	NA	NA
+MJ078703	Irieol F; 7-Ac 	C22H36Br2O5	538.092949	NA	MeJP	NA	NA
+C08745	Lithospermic acid	C27H22O12	538.1111	NA	KEGG	NA	NA
+MJ078704	Lithospermic acid A 	C27H22O12	538.111126	NA	MeJP	NA	NA
+MJ078705	Salvianolic acid I 	C27H22O12	538.111126	NA	MeJP	NA	NA
+MJ078706	Salvianolic acid J 	C27H22O12	538.111126	NA	MeJP	NA	NA
+MJ078707	Yunnaneic acid D; 4-Ketone 	C27H22O12	538.111126	NA	MeJP	NA	NA
+MJ078708	Rheidin A; 2'-Me ether 	C31H22O9	538.126382	NA	MeJP	NA	NA
+FL5FEGGL0001	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside	C24H26O14	538.13225	67963-64-8	knapsack	NA	NA
+FL5FGCGL0001	Limocitrol 3-glucoside	C24H26O14	538.13225	77133-42-7	knapsack	NA	NA
+FL5FGCGL0003	Isolimocitrol 3-glucoside	C24H26O14	538.13225	-	knapsack	NA	NA
+MJ078709	2-Glucosyl-1,3,7-trihydroxyxanthone; 2'-O-?-D-Apiofuranosyl 	C24H26O14	538.132255	NA	MeJP	NA	NA
+MJ078710	2-Glucosyl-1,3,7-trihydroxyxanthone; 6'-O-?-D-Apiofuranosyl 	C24H26O14	538.132255	NA	MeJP	NA	NA
+MJ078711	3,3',4',5,5',6,7-Heptahydroxyflavone; 3',5',6-Tri-Me ether, 3-O-?-D-glucopyranoside 	C24H26O14	538.132255	NA	MeJP	NA	NA
+MJ078712	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-?-D-glucopyranoside 	C24H26O14	538.132255	NA	MeJP	NA	NA
+MJ078713	3,3',4',5,6,7,8-Heptahydroxyflavone; 4',6,8-Tri-Me ether, 3-O-?-D-glucopyranoside 	C24H26O14	538.132255	NA	MeJP	NA	NA
+MJ078714	6-Galloylglucose; ?-D-Pyranose-form, 1-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-) 	C24H26O14	538.132255	NA	MeJP	NA	NA
+MJ078715	Prohibicin 	C19H23N8O9P	538.13256	NA	MeJP	NA	NA
+PJ004360	PCCCN 	C18H30N6O7S3	538.1338	NA	PeJP	NA	NA
+MJ078716	6-Glucosyl-4',5,7-trihydroxy-6-(4-hydroxybenzyl)flavone 	C28H26O11	538.147511	NA	MeJP	NA	NA
+MJ078717	8-Glucosyl-4',5,7-trihydroxy-6-(4-hydroxybenzyl)flavone 	C28H26O11	538.147511	NA	MeJP	NA	NA
+MJ078718	Gyrophoric acid; 4-Me ether, 2-Ac, Me ester, 	C28H26O11	538.147511	NA	MeJP	NA	NA
+PJ004361	GCNDM 	C18H30N6O9S2	538.1516	NA	PeJP	NA	NA
+MJ078719	Deoxycordifoline lactam 	C27H26N2O10	538.158745	NA	MeJP	NA	NA
+MJ078720	6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 3,9,11-tri-Ac 	C26H31ClO10	538.160574	NA	MeJP	NA	NA
+MJ078721	6-Chloro-4,8,9,11-tetrahydroxy-12-oxo-2,5(16),13-briaratrien-18,7-olide; 4,9,11-Tri-Ac 	C26H31ClO10	538.160574	NA	MeJP	NA	NA
+MJ078722	Erythrolide A 	C26H31ClO10	538.160574	NA	MeJP	NA	NA
+MJ078723	2,2',4,4',6,6',7,7'-Octahydroxy-1,1'-biphenanthrene; 4,4',6,6'-Tetra-Me ether 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078724	2,2',4,4',6,6',7,7'-Octahydroxy-1,1'-biphenanthrene; 4,4',7,7'-Tetra-Me ether 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078725	2,2',4,4',7,7',8,8'-Octahydroxy-1,1'-biphenanthrene; 4,4',8,8'-Tetra-Me ether 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078726	Ararobinol; 6,6'-Dimethoxy 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078727	Emodinbianthrone; 2,2'-Di-Me ether 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078728	Rhuschalcone 1 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078729	Shikometabolin D 	C32H26O8	538.162767	NA	MeJP	NA	NA
+MJ078730	Volucrin 	C32H26O8	538.162767	NA	MeJP	NA	NA
+PJ004362	CCQW 	C22H30N6O6S2	538.1668	NA	PeJP	NA	NA
+PJ004363	GACCW 	C22H30N6O6S2	538.1669	NA	PeJP	NA	NA
+MJ078731	1H-Naphtho[2,3-c]pyran-5,10-diol; Di-O-?-D-glucopyranoside 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078732	Bis(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)methane; 6-O-?-D-Glucopyranoside 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078733	Cachineside IV; 7-O-(4-Hydroxycinnamoyl) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078734	Caryoptosidic acid; 6'-(4-Hydroxycinnamoyl)(E-) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078735	Catalpol; 10-(3-Hydroxy-4-methoxy-E-cinnamoyl) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078736	Catalpol; 6-(4-Hydroxy-3-methoxycinnamoyl) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078737	Catalpol; 6-O-(3-Hydroxy-4-methoxycinnamoyl) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078738	Fraxamoside 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078739	Grandifloroside 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078740	Mussaenosidic acid; 2'-(3,4-Dihydroxycinnamoyl) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+MJ078741	Secologanol; 11-Carboxylic acid, 2'-(3,4-dihydroxycinnamoyl)(E-) 	C25H30O13	538.168641	NA	MeJP	NA	NA
+PJ004364	SSCNE 	C18H30N6O11S	538.1693	NA	PeJP	NA	NA
+PJ004365	GGSSCE 	C18H30N6O11S	538.1694	NA	PeJP	NA	NA
+MJ078742	Aglaroxin C 	C31H26N2O7	538.174001	NA	MeJP	NA	NA
+PJ004366	EEMM 	C20H34N4O9S2	538.1767	NA	PeJP	NA	NA
+MJ078743	8-Glucosyl-7-hydroxy-5-methyl-2-(1-propenyl)-4H-1-benzopyran-4-one; 7-Me ether, 2'-O-(4-hydroxy-E-cinnamoyl) 	C29H30O10	538.183897	NA	MeJP	NA	NA
+MJ078744	Aloesin; 7-Me ether, 2'-O-E-cinnamoyl 	C29H30O10	538.183897	NA	MeJP	NA	NA
+MJ078745	Thielavin B; Di-O-de-Me 	C29H30O10	538.183897	NA	MeJP	NA	NA
+PJ004367	GSSCW 	C22H30N6O8S	538.1846	NA	PeJP	NA	NA
+MJ078746	Picrasidine R 	C30H26N4O6	538.185234	NA	MeJP	NA	NA
+PJ004368	GSSSSD 	C18H30N6O13	538.1871	NA	PeJP	NA	NA
+PJ004369	GSNMM 	C19H34N6O8S2	538.188	NA	PeJP	NA	NA
+MJ078747	Loganic acid; 6'-O-?-D-Glucopyranosyl 	C22H34O15	538.18977	NA	MeJP	NA	NA
+MJ078748	Loganic acid; 6'-O-?-D-Glucopyranosyl 	C22H34O15	538.18977	NA	MeJP	NA	NA
+MJ078749	Loganic acid; 8-Epimer, ?-D-glucopyranosyl ester 	C22H34O15	538.18977	NA	MeJP	NA	NA
+HMDB00545	Chenodeoxycholic acid disulfate	C23H38O10S2	538.19061	http://www.hmdb.ca/metabolites/HMDB00545	HMDB	NA	NA
+HMDB00545	Chenodeoxycholic acid disulfate	C23H38O10S2	538.19061	HMDB00545	PFEM_hmdb_metabocards_official	NA	NA
+PJ004370	DEEF 	C23H30N4O11	538.1911	NA	PeJP	NA	NA
+PJ004371	DMHH 	C21H30N8O7S	538.1958	NA	PeJP	NA	NA
+MJ078750	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 12-Propanoyl, 2,9-di-Ac 	C27H35ClO9	538.19696	NA	MeJP	NA	NA
+MJ078751	Punaglandin 3; 12-Ac 	C27H35ClO9	538.19696	NA	MeJP	NA	NA
+MJ078752	Punaglandin 3; 7Z-Isomer, 12-Ac 	C27H35ClO9	538.19696	NA	MeJP	NA	NA
+FL6FA9NC0001	8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol	C33H30O7	538.19915	61136-14-9	knapsack	NA	NA
+MJ078753	3,4-Dihydro-5-methoxy-12-methyl-2,8-diphenyl-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-11,13-diol; 3-Hydroxy, 5-Me ether 	C33H30O7	538.199153	NA	MeJP	NA	NA
+MJ078754	5,7-Dihydroxy-8-[2-(2,4,6-trihydroxy-3-methylphenyl)ethenyl]flavan; 2'',5-Di-Me ether, 6''-O-benzoyl 	C33H30O7	538.199153	NA	MeJP	NA	NA
+MJ078755	7-(8-Hydroxy-6-methoxy-7-methyl-2-phenyl-1,3-benzodioxepin-2-yl)-5-methoxyflavan 	C33H30O7	538.199153	NA	MeJP	NA	NA
+MJ078756	Asticolorin A 	C33H30O7	538.199153	NA	MeJP	NA	NA
+MJ078757	Dracoflavan B1 	C33H30O7	538.199153	NA	MeJP	NA	NA
+MJ078758	Dracooxepine 	C33H30O7	538.199153	NA	MeJP	NA	NA
+PJ004372	GTCCR 	C18H34N8O7S2	538.1992	NA	PeJP	NA	NA
+PJ004373	NNEY 	C22H30N6O10	538.2024	NA	PeJP	NA	NA
+PJ004374	CCKW 	C23H34N6O5S2	538.2032	NA	PeJP	NA	NA
+MJ078759	1,4,5,8,10,13-Hexahydroxy-7(11)-muurolen-12,6-olide, 13-Tigloyl, 5,8,10-tri-Ac 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078760	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 4-Deoxy, 5-?-D-glucopyranosyloxy 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078761	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 4-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078762	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 9'-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078763	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; Diastereoisomer, 4-O-?-D-glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078764	15,16-Epoxy-3,4-dihydroxy-13(16),14-clerodadiene-17,12:18,6-diolide, 3-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078765	15,16-Epoxy-3,8-dihydroxy-19-nor-4,13(16),14-clerodatrien-17,12-olid-18-oic acid, 3-O-?-D-Glucopyranoside, Me ester 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078766	15,16-Epoxy-6,8-dihydroxy-19-nor-4,13(16),14-clerodatrien-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078767	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 7'-O-?-D-allopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078768	3,3',4,4',7',9-Hexahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 7'-O-?-D-glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078769	7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one, 2'-Angeloyl, 3'-O-glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078770	Ajugol; 6-O-(3,4-Dimethoxycinnamoyl)(E-) 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078771	Ajugol; 6-O-(3,4-Dimethoxycinnamoyl)(Z-) 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078772	Cycloolivil, 4-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078773	Cypellocarpin B 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078774	Diosbulbinoside F 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078775	Neoolivil; 4-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078776	Neoolivil; 9-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078777	Olivil; 4'-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+MJ078778	Olivil; 4-O-?-D-Glucopyranoside 	C26H34O12	538.205026	NA	MeJP	NA	NA
+PJ004375	SSSQM 	C19H34N6O10S	538.2057	NA	PeJP	NA	NA
+PJ004376	PEMY 	C24H34N4O8S	538.2098	NA	PeJP	NA	NA
+C11194	Morfamquat	C26H36N4O4	538.2114	NA	KEGG	NA	NA
+PJ004377	GPNDH 	C21H30N8O9	538.2136	NA	PeJP	NA	NA
+PJ004378	SSSCR 	C18H34N8O9S	538.217	NA	PeJP	NA	NA
+PJ004379	GNYW 	C26H30N6O7	538.2176	NA	PeJP	NA	NA
+MJ078779	3,3',4,4',9-Pentahydroxy-7,9':7',9-diepoxylignan, 3,4'-Di-Me ether, 3',4-diangeloyl 	C30H34O9	538.220282	NA	MeJP	NA	NA
+MJ078780	Abiesol A 	C30H34O9	538.220282	NA	MeJP	NA	NA
+MJ078781	Cedrelone; 11?,12?-Diacetoxy 	C30H34O9	538.220282	NA	MeJP	NA	NA
+MJ078782	Gomisin Q; 5'-O-De-Me, 7-benzoyl 	C30H34O9	538.220282	NA	MeJP	NA	NA
+MJ078783	Sesquipinsapol A 	C30H34O9	538.220282	NA	MeJP	NA	NA
+PJ004380	NQMF 	C23H34N6O7S	538.221	NA	PeJP	NA	NA
+MJ078784	Antibiotic TAN 1030A; N6-(Isopropoxymethyl) 	C31H30N4O5	538.22162	NA	MeJP	NA	NA
+PJ004381	GSSSTT 	C19H34N6O12	538.2235	NA	PeJP	NA	NA
+PJ004382	GTCKM 	C20H38N6O7S2	538.2244	NA	PeJP	NA	NA
+MJ078785	Miharamycin A; N3-Deoxy 	C20H30N10O8	538.224807	NA	MeJP	NA	NA
+PJ004383	VEEY 	C24H34N4O10	538.2275	NA	PeJP	NA	NA
+PJ004384	CNFR 	C22H34N8O6S	538.2322	NA	PeJP	NA	NA
+MJ078786	Physalolactone 	C28H39ClO8	538.233345	NA	MeJP	NA	NA
+PJ004385	NDKY 	C23H34N6O9	538.2387	NA	PeJP	NA	NA
+PJ004386	GGDKY 	C23H34N6O9	538.2388	NA	PeJP	NA	NA
+MJ078787	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylpentanoyl), 3-O-O-?-D-glucopyranoside 	C27H38O11	538.241412	NA	MeJP	NA	NA
+MJ078788	Crepiside C; 8-(2-Hydroxy-3-methylpentanoyl) 	C27H38O11	538.241412	NA	MeJP	NA	NA
+MJ078789	Glaucarubol; 15-(2-Acetoxy-2-methylbutanoyl) 	C27H38O11	538.241412	NA	MeJP	NA	NA
+MJ078790	Javanicin B; 16?-O-?-D-Glucopyranoside 	C27H38O11	538.241412	NA	MeJP	NA	NA
+MJ078791	Picrasin B; 2-O-?-D-Glucopyranoside 	C27H38O11	538.241412	NA	MeJP	NA	NA
+PJ004387	SSSKM 	C20H38N6O9S	538.2421	NA	PeJP	NA	NA
+PJ004388	PPYY 	C28H34N4O7	538.2428	NA	PeJP	NA	NA
+PJ004389	LEMF 	C25H38N4O7S	538.2461	NA	PeJP	NA	NA
+3649	heparin-binding peptide	APAKNVAWCT	538.24695	MH2+	Inhouse_peptide	NA	peptide
+PJ004390	SNRY 	C22H34N8O8	538.25	NA	PeJP	NA	NA
+FL4DALNI0003	Kenusanone C	C31H38O8	538.25666	144180-17-6	knapsack	NA	NA
+MJ078792	18,19-Epoxy-3,12,14-clerodatriene-2,18,19-triol, 2-(4-Hydroxybenzoyl), 18,19-di-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078793	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 14-Ketone, 3-benzoyl, 7,15-di-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078794	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 7-Ketone, 3-benzoyl, 14,15-di-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078795	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 14-Ketone, 3-benzoyl, 7,15-di-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078796	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 7-Ketone, 3-benzoyl, 14,15-di-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078797	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 10-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078798	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 9-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078799	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 5-cinnamoyl(E-), 10-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078800	6-Geranyl-2',3,4',5,6',7-hexahydroxy-8-prenylflavanone, 4'-Me ether 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078801	Onopordum illyricum Neolignan 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078802	Phototaxicin I; 5-Cinnamoyl (E-), 10-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078803	Phototaxicin I; 5-Cinnamoyl (E-), 9-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078804	Phototaxicin I; 5-Cinnamoyl (Z-), 10-Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078805	Saucerneol 	C31H38O8	538.256668	NA	MeJP	NA	NA
+MJ078806	Turraflorin B; Ac 	C31H38O8	538.256668	NA	MeJP	NA	NA
+PJ004391	NKMF 	C24H38N6O6S	538.2574	NA	PeJP	NA	NA
+MJ078807	Okaramine O 	C32H34N4O4	538.258005	NA	MeJP	NA	NA
+MJ078808	Okaramine P 	C32H34N4O4	538.258005	NA	MeJP	NA	NA
+MJ078809	7-Megastigmene-3,5,6,9-tetrol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H42O13	538.262541	NA	MeJP	NA	NA
+PJ004392	VHHF 	C26H34N8O5	538.2652	NA	PeJP	NA	NA
+7899	peptide from human milk b-casein (50-53)	IYPF	538.267	antioxidative	Inhouse_peptide	NA	peptide
+MJ078810	Antibiotic TMC 1C 	C30H38N2O7	538.267901	NA	MeJP	NA	NA
+8118	peptide derived from sardinelle by-products proteins (Sardinella aurita)	GALAAH	538.274	anticancer	Inhouse_peptide	NA	peptide
+PJ004393	TQKY 	C24H38N6O8	538.2751	NA	PeJP	NA	NA
+MJ078811	11,15-Dihydroxy-16-kauren-19-oic acid, 15-Ac, 19-?-D-glucopyranosyl ester 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078812	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-D-Xylopyranoside 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078813	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Lyxopyranoside 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078814	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 3-(2-methylpropanoyl), 6,19-di-Ac 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078815	4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 15-Et ether, 3,6,19-tri-Ac 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078816	6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, 2,3,4,12-Tetra-Ac 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078817	6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, 2,3,4,9-Tetra-Ac 	C28H42O10	538.277797	NA	MeJP	NA	NA
+MJ078818	6,13-Epoxy-8(19)-eunicellene-2,3,4,9,12-pentol, 2,3,4,9-Tetra-Ac 	C28H42O10	538.277797	NA	MeJP	NA	NA
+PJ004394	PLFY 	C29H38N4O6	538.2792	NA	PeJP	NA	NA
+PJ004395	LLMY 	C26H42N4O6S	538.2825	NA	PeJP	NA	NA
+MJ078819	Nafiverine 	C34H38N2O4	538.283157	NA	MeJP	NA	NA
+PJ004396	GPTKH 	C23H38N8O7	538.2864	NA	PeJP	NA	NA
+MJ078820	3,11,12,14-Tetrahydroxypregnan-20-one, 12-Cinnamoyl, 11-Ac 	C32H42O7	538.293053	NA	MeJP	NA	NA
+MJ078821	5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 20-Deoxy, 12-(2,4,6-decatrienoyl)(2Z,4E,6?-), 13-Ac 	C32H42O7	538.293053	NA	MeJP	NA	NA
+MJ078822	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2Z,4E,6?-Decatrienoyl), 13-Ac 	C32H42O7	538.293053	NA	MeJP	NA	NA
+MJ078823	Ivesianin C 	C32H42O7	538.293053	NA	MeJP	NA	NA
+MJ078824	Nimocinolide; 23-Me ether, 7-O-de-Ac, 7-O-(3-methyl-2-butenoyl) 	C32H42O7	538.293053	NA	MeJP	NA	NA
+C09091	Euphorbia factor Ti2	C32H42O7	538.2931	NA	KEGG	NA	NA
+MJ078825	5''-Amino-4',5''-dideoxybutirosin A 	C21H42N6O10	538.296241	NA	MeJP	NA	NA
+PJ004397	VQHR 	C22H38N10O6	538.2976	NA	PeJP	NA	NA
+MJ078826	Batrachotoxinin A; O20-2,4-Dimethyl-3-pyrrolecarboxylate 	C31H42N2O6	538.304287	NA	MeJP	NA	NA
+MJ078827	Crocacin A 	C31H42N2O6	538.304287	NA	MeJP	NA	NA
+C13750	Batrachotoxin	C31H42N2O6	538.3043	NA	KEGG	NA	NA
+PJ004398	AHRR 	C21H38N12O5	538.3088	NA	PeJP	NA	NA
+PJ004399	TKKY 	C25H42N6O7	538.3115	NA	PeJP	NA	NA
+MJ078828	1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 25-Ac 	C29H46O9	538.314183	NA	MeJP	NA	NA
+MJ078829	2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 20-Ac 	C29H46O9	538.314183	NA	MeJP	NA	NA
+MJ078830	Antibiotic 2911-2 	C29H46O9	538.314183	NA	MeJP	NA	NA
+MJ078831	Soraphen A; 12,13-Dihydro, 13?-hydroxy 	C29H46O9	538.314183	NA	MeJP	NA	NA
+PJ004400	LLFF 	C30H42N4O5	538.3155	NA	PeJP	NA	NA
+MJ078832	Pandaminine 	C30H42N4O5	538.31552	NA	MeJP	NA	NA
+MJ078833	Sanjoinine G2 	C30H42N4O5	538.31552	NA	MeJP	NA	NA
+PJ004401	GPPLR 	C24H42N8O6	538.3228	NA	PeJP	NA	NA
+MJ078834	Thiobinupharidine; 6- or 6'-Ethoxy 	C32H46N2O3S	538.322914	NA	MeJP	NA	NA
+MJ078835	Deacylbengazole C; O10-(12-Methyltetradecanoyl) 	C28H46N2O8	538.325416	NA	MeJP	NA	NA
+MJ078836	Deacylbengazole C; O10-(13-Methyltetradecanoyl) 	C28H46N2O8	538.325416	NA	MeJP	NA	NA
+MJ078837	Deacylbengazole C; O10-Pentadecanoyl 	C28H46N2O8	538.325416	NA	MeJP	NA	NA
+MJ078838	1,3,5-Trihydroxyxanthone; 3,5-Di-Me ether, 1-octadecanoyl 	C33H46O6	538.329439	NA	MeJP	NA	NA
+MJ078839	7-Labdene-2,15-diol, 2-Ac, 15-O-(4-acetoxycinnamoyl) 	C33H46O6	538.329439	NA	MeJP	NA	NA
+MJ078840	Dilactonmycin 	C33H46O6	538.329439	NA	MeJP	NA	NA
+MJ078841	Cycloart-24-ene-3,23,28-triol, 3-O-Sulfate 	C30H50O6S	538.33281	NA	MeJP	NA	NA
+PJ004402	VKHR 	C23H42N10O5	538.334	NA	PeJP	NA	NA
+MJ078842	Virenamide A 	C31H46N4O2S	538.334147	NA	MeJP	NA	NA
+MJ078843	Gelliodesxanthin 	C37H46O3	538.344695	NA	MeJP	NA	NA
+PJ004403	PPVVK 	C26H46N6O6	538.3479	NA	PeJP	NA	NA
+MJ078844	7-Labdene-2,3,15-triol, 3-(2-Methylpropenoyl), 2-O-?-L-rhamnopyranoside 	C30H50O8	538.350568	NA	MeJP	NA	NA
+MJ078845	7-Labdene-2,3,15-triol, 3-Angeloyl, 2-O-?-xylopyranoside 	C30H50O8	538.350568	NA	MeJP	NA	NA
+MJ078846	Milnamide A 	C31H46N4O4	538.351905	NA	MeJP	NA	NA
+MJ078847	3,22-Dihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, Di-Ac 	C34H50O5	538.365824	NA	MeJP	NA	NA
+MJ078848	3,20-Diaminopregnane-4,12-diol, N3,N20,N20-Tri-Me, N3-benzoyl, 4-Ac 	C33H50N2O4	538.377058	NA	MeJP	NA	NA
+MJ078849	3,20-Diaminopregnane-4,16-diol, N3,N20,N20-Tri-Me, N3-benzoyl, 4-Ac 	C33H50N2O4	538.377058	NA	MeJP	NA	NA
+MJ078850	Dipiperitylmagnolol 	C38H50O2	538.38108	NA	MeJP	NA	NA
+C11903	Methanophenazine	C37H50N2O	538.3923	NA	KEGG	NA	NA
+MJ078851	2-Phenazinol; O-(3,7,11,15,19-Pentamethyl-6,10,14,18-eicosatetraenyl)(3?,6E,10E,14E) 	C37H50N2O	538.392314	NA	MeJP	NA	NA
+MetaCyc03811	methanophenazine []	C37H50N2O1	538.392314	NA	metacyc	NA	NA
+MJ078852	8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Dodecanoyl 	C32H58O6	538.423339	NA	MeJP	NA	NA
+MJ078853	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 17-Octadecanoyl 	C36H58O3	538.438595	NA	MeJP	NA	NA
+MJ078854	Ipexidine 	C26H54N10O2	538.443121	NA	MeJP	NA	NA
+MJ078855	1,2-Dihydrolycopene 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078856	7,7'-Dihydro-?-carotene 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078857	7,8-Dihydrolycopene 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078858	?-Carotene; 1',2'-Dihydro 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078859	?-Carotene; 7',8'-Dihydro 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078860	?-Zeacarotene 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078861	Neurosporene 	C40H58	538.453851	NA	MeJP	NA	NA
+MJ078862	beta-Zeacarotene 	C40H58	538.453851	NA	MeJP	NA	NA
+MetaCyc03812	neurosporene []	C40H58	538.453852	NA	metacyc	NA	NA
+MetaCyc03813	proneurosporene [7,9,9'-tri-cis-neurosporene;]	C40H58	538.453852	NA	metacyc	NA	NA
+MetaCyc03814	&alpha;-zeacarotene []	C40H58	538.453852	NA	metacyc	NA	NA
+MetaCyc03815	&beta;-zeacarotene []	C40H58	538.453852	NA	metacyc	NA	NA
+HMDB03114	Neurosporene	C40H58	538.453857	NA	HMDB2010	NA	NA
+HMDB03114	Neurosporene	C40H58	538.45386	http://www.hmdb.ca/metabolites/HMDB03114	HMDB	NA	NA
+HMDB03114	Neurosporene	C40H58	538.45386	HMDB03114	PFEM_hmdb_metabocards_official	NA	NA
+C05431	Neurosporene	C40H58	538.4539	NA	KEGG	NA	NA
+C05434	beta-Zeacarotene	C40H58	538.4539	NA	KEGG	NA	NA
+C14146	alpha-Zeacarotene	C40H58	538.4539	NA	KEGG	NA	NA
+C15907	1',2'-Dihydro-gamma-carotene	C40H58	538.4539	NA	KEGG	NA	NA
+C16291	7,8-Dihydro-beta-carotene	C40H58	538.4539	NA	KEGG	NA	NA
+HMDB07012	DG(14:0/16:1(9Z)/0:0)	C33H62O5	538.459717	NA	HMDB2010	NA	NA
+HMDB07040	DG(14:1(9Z)/16:0/0:0)	C33H62O5	538.459717	NA	HMDB2010	NA	NA
+HMDB07096	DG(16:0/14:1(9Z)/0:0)	C33H62O5	538.459717	NA	HMDB2010	NA	NA
+HMDB07124	DG(16:1(9Z)/14:0/0:0)	C33H62O5	538.459717	NA	HMDB2010	NA	NA
+MJ078863	20(29)-Lupen-3-ol, Heptanoyl 	C37H62O2	538.474981	NA	MeJP	NA	NA
+MJ078864	Tryptamine; Nb-Hexacosanoyl 	C36H62N2O	538.486214	NA	MeJP	NA	NA
+MJ078865	1,9-Tridecanediol; 1-Docosanoyl 	C35H70O3	538.532496	NA	MeJP	NA	NA
+MJ078866	6,8-Hexatriacontanediol 	C36H74O2	538.568881	NA	MeJP	NA	NA
+MJ078867	7,9-Hexatriacontanediol 	C36H74O2	538.568881	NA	MeJP	NA	NA
+7320	celiac sprue gluten epitope from gamma-gliadin	PQPQQPQQQ	538.752	MH2+	Inhouse_peptide	NA	peptide
+3413	ACE inhibitor	LNPPHQIYP	538.77295	MH2+	Inhouse_peptide	NA	peptide
+7576	ACE inhibitor from chicken muscle	IVGRRRHQG	538.8065	MH2+	Inhouse_peptide	NA	peptide
+MJ078868	Discorhabdin C; 14-Bromo 	C18H12Br3N3O2	538.847964	NA	MeJP	NA	NA
+HMDB12261	Molybdenum cofactor (sulfide)	C10H12MoN5O7PS3	538.86908	NA	HMDB2010	NA	NA
+C01806	GTP-gamma-S	C10H16N5O13P3S	538.9678	NA	KEGG	NA	NA
+MJ078869	Laccaic acid C 	C25H17NO13	539.069989	NA	MeJP	NA	NA
+MJ078870	Mezlocillin 	C21H25N5O8S2	539.114454	NA	MeJP	NA	NA
+C07221	Mezlin	C21H25N5O8S2	539.1145	NA	KEGG	NA	NA
+PJ004404	PCCCD 	C18H29N5O8S3	539.1179	NA	PeJP	NA	NA
+MJ078871	Cadystin B 	C18H29N5O10S2	539.135583	NA	MeJP	NA	NA
+PJ004405	GCDDM 	C18H29N5O10S2	539.1356	NA	PeJP	NA	NA
+C07361	Piperacillin sodium	C23H26N5O7S	539.1451	NA	KEGG	NA	NA
+PJ004406	SCCNN 	C17H29N7O9S2	539.1468	NA	PeJP	NA	NA
+PJ004407	GGGGSCC 	C17H29N7O9S2	539.1469	NA	PeJP	NA	NA
+MJ078872	Thiangazole 	C26H29N5O2S3	539.148337	NA	MeJP	NA	NA
+PJ004408	CCEW 	C22H29N5O7S2	539.1509	NA	PeJP	NA	NA
+PJ004409	SSCDE 	C18H29N5O12S	539.1534	NA	PeJP	NA	NA
+MJ078873	Tunicome An1; 1'Z-Isomer, 3''-deoxy 	C26H25N3O10	539.153994	NA	MeJP	NA	NA
+MJ078874	Tunichrome An1; 3''-Deoxy 	C26H25N3O10	539.153994	NA	MeJP	NA	NA
+PJ004410	SPCCM 	C19H33N5O7S3	539.1542	NA	PeJP	NA	NA
+PJ004411	GSDMM 	C19H33N5O9S2	539.172	NA	PeJP	NA	NA
+PJ004412	NDEY 	C22H29N5O11	539.1864	NA	PeJP	NA	NA
+PJ004413	TCMW 	C23H33N5O6S2	539.1872	NA	PeJP	NA	NA
+PJ004414	APCCF 	C23H33N5O6S2	539.1873	NA	PeJP	NA	NA
+PJ004415	SSSEM 	C19H33N5O11S	539.1897	NA	PeJP	NA	NA
+MJ078875	Isotrityrosine 	C27H29N3O9	539.190379	NA	MeJP	NA	NA
+MJ078876	Pulcherosine 	C27H29N3O9	539.190379	NA	MeJP	NA	NA
+MJ078877	Trityrosine 	C27H29N3O9	539.190379	NA	MeJP	NA	NA
+PJ004416	QMMM 	C20H37N5O6S3	539.1906	NA	PeJP	NA	NA
+PJ004417	GSCHH 	C20H29N9O7S	539.1911	NA	PeJP	NA	NA
+PJ004418	GPDDH 	C21H29N7O10	539.1976	NA	PeJP	NA	NA
+PJ004419	GDYW 	C26H29N5O8	539.2016	NA	PeJP	NA	NA
+PJ004420	CMMR 	C19H37N7O5S3	539.2019	NA	PeJP	NA	NA
+PJ004421	GPTCY 	C23H33N5O8S	539.205	NA	PeJP	NA	NA
+PJ004422	GTTMM 	C20H37N5O8S2	539.2084	NA	PeJP	NA	NA
+MJ078878	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-Trimethoxycinnamoyl), 6-O-benzoyl, 7-Ac 	C29H33NO9	539.215531	NA	MeJP	NA	NA
+MJ078879	Stephavanine; N,O,O-Tri-Me 	C29H33NO9	539.215531	NA	MeJP	NA	NA
+MJ078880	Stephuline; 6-(3-Hydroxy-4-methoxycinnamoyl) 	C29H33NO9	539.215531	NA	MeJP	NA	NA
+PJ004423	CDFR 	C22H33N7O7S	539.2162	NA	PeJP	NA	NA
+33	Myofibrillar	SIDDQEELM	539.219	MH2+	Inhouse_peptide	NA	peptide
+PJ004424	GMFW 	C27H33N5O5S	539.2203	NA	PeJP	NA	NA
+PJ004425	TQEY 	C23H33N5O10	539.2228	NA	PeJP	NA	NA
+PJ004426	STTTM 	C20H37N5O10S	539.2261	NA	PeJP	NA	NA
+MJ078881	Saframycin A; Decyano, 25-alcohol 	C28H33N3O8	539.226765	NA	MeJP	NA	NA
+PJ004427	KMMM 	C21H41N5O5S3	539.227	NA	PeJP	NA	NA
+PJ004428	SDRY 	C22H33N7O9	539.234	NA	PeJP	NA	NA
+MJ078882	Antibiotic UCH 15A 	C23H29N11O5	539.235313	NA	MeJP	NA	NA
+MJ078883	Pyrronamycin A 	C23H29N11O5	539.235313	NA	MeJP	NA	NA
+PJ004429	ATYW 	C27H33N5O7	539.238	NA	PeJP	NA	NA
+2746	activating kinases and phosphatases peptide	EPFYVNVPD	539.2414	antibacterial	Inhouse_peptide	NA	peptide
+PJ004430	VQMY 	C24H37N5O7S	539.2414	NA	PeJP	NA	NA
+MJ078884	Scutianene C 	C32H33N3O5	539.242021	NA	MeJP	NA	NA
+MJ078885	Palonidipine 	C29H34FN3O6	539.243164	NA	MeJP	NA	NA
+PJ004431	QQQH 	C21H33N9O8	539.2452	NA	PeJP	NA	NA
+PJ004432	PTHW 	C26H33N7O6	539.2493	NA	PeJP	NA	NA
+7362	celiac sprue gluten epitope found in hordein	PQHQFPQPT	539.2515	MH2+	Inhouse_peptide	NA	peptide
+MJ078886	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-O-(2-Methylaminobenzoyl), 13-Ac 	C30H37NO8	539.251917	NA	MeJP	NA	NA
+MJ078887	5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 12-O-(2-Methylaminobenzoyl), 13-Ac 	C30H37NO8	539.251917	NA	MeJP	NA	NA
+MJ078888	Cytochalasin C; 5?,6?:19?,20?-Diepoxide 	C30H37NO8	539.251917	NA	MeJP	NA	NA
+MJ078889	Cytochalasin Q; 13?,14?;19?,20?-Diepoxide 	C30H37NO8	539.251917	NA	MeJP	NA	NA
+MJ078890	Trideacetylpyripyropene A; 7-Deoxy, 19-propanoyl, 3-Ac 	C30H37NO8	539.251917	NA	MeJP	NA	NA
+PJ004433	AMRY 	C23H37N7O6S	539.2526	NA	PeJP	NA	NA
+PJ004434	NNHR 	C20H33N11O7	539.2565	NA	PeJP	NA	NA
+PJ004435	TKEY 	C24H37N5O9	539.2591	NA	PeJP	NA	NA
+PJ004436	PPPTE 	C24H37N5O9	539.2592	NA	PeJP	NA	NA
+MJ078891	Bannucine 	C29H37N3O7	539.26315	NA	MeJP	NA	NA
+PJ004437	PMHR 	C22H37N9O5S	539.2639	NA	PeJP	NA	NA
+PJ004438	TTRY 	C23H37N7O8	539.2704	NA	PeJP	NA	NA
+PJ004439	VQFF 	C28H37N5O6	539.2744	NA	PeJP	NA	NA
+PJ004440	VKMY 	C25H41N5O6S	539.2778	NA	PeJP	NA	NA
+MJ078892	Apramycin 	C21H41N5O11	539.280257	NA	MeJP	NA	NA
+MJ078893	Butirosin A; 4'-Deoxy 	C21H41N5O11	539.280257	NA	MeJP	NA	NA
+C01555	Apramycin	C21H41N5O11	539.2803	NA	KEGG	NA	NA
+C01556	Azocasein	C21H41N5O11	539.2803	NA	KEGG	NA	NA
+PJ004441	VEHR 	C22H37N9O7	539.2816	NA	PeJP	NA	NA
+PJ004442	VVHW 	C27H37N7O5	539.2856	NA	PeJP	NA	NA
+MJ078894	7-[3-[2-(Cyclopropylmethyl)-3-methoxy-4-[(methylamino)carbonyl]phenoxy]propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-propanoic acid 	C31H41NO7	539.288302	NA	MeJP	NA	NA
+MJ078895	Aconosine; 13-Acetoxy, 14-benzoyl 	C31H41NO7	539.288302	NA	MeJP	NA	NA
+MJ078896	Pyrodelphinine 	C31H41NO7	539.288302	NA	MeJP	NA	NA
+7360	celiac sprue gluten epitope found in hordein	PLPRPQQPF	539.2885	MH2+	Inhouse_peptide	NA	peptide
+7495	ACE inhibitor (from bovine b-CN)	NIPPLTQTPV	539.29345	MH2+	Inhouse_peptide	NA	peptide
+PJ004443	PPVVE 	C25H41N5O8	539.2955	NA	PeJP	NA	NA
+EUR725	Lyso PC 18:3 [M+Na]+	C26H48NO7P	539.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR725	Lyso PC 18:3 [M+Na]+	C26H48NO7P	539.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR725	Lyso PC 18:3 [M+Na]+	C26H48NO7P	539.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR725	Lyso PC 18:3 [M+Na]+	C26H48NO7P	539.298788	masses lipides attendues	Inhousejuil11	NA	NA
+EUR926	Lyso PE 24:6 [M-H-CH3]-	C29H48NO7P	539.301192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR926	Lyso PE 24:6 [M-H-CH3]-	C29H48NO7P	539.301192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR926	Lyso PE 24:6 [M-H-CH3]-	C29H48NO7P	539.301192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR926	Lyso PE 24:6 [M-H-CH3]-	C29H48NO7P	539.301192	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004444	GTLLH 	C24H41N7O7	539.3068	NA	PeJP	NA	NA
+PJ004445	VKFF 	C29H41N5O5	539.3108	NA	PeJP	NA	NA
+PJ004446	QKKH 	C23H41N9O6	539.318	NA	PeJP	NA	NA
+EUR722	Lyso PC 16:1 [M+FA-H]-	C24H48NO7P	539.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR722	Lyso PC 16:1 [M+FA-H]-	C24H48NO7P	539.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR722	Lyso PC 16:1 [M+FA-H]-	C24H48NO7P	539.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR722	Lyso PC 16:1 [M+FA-H]-	C24H48NO7P	539.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR570	LysoPC(16:1)	[M+FA-H]-	539.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR843	Lyso PE 18:1 [M-H+acetate]-	C23H46NO7P	539.322292	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR843	Lyso PE 18:1 [M-H+acetate]-	C23H46NO7P	539.322292	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR843	Lyso PE 18:1 [M-H+acetate]-	C23H46NO7P	539.322292	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR843	Lyso PE 18:1 [M-H+acetate]-	C23H46NO7P	539.322292	masses lipides attendues	Inhousejuil11	NA	NA
+MJ078897	Isariin D 	C26H45N5O7	539.331898	NA	MeJP	NA	NA
+PJ004447	PPTLL 	C26H45N5O7	539.3319	NA	PeJP	NA	NA
+PJ004448	APPKK 	C25H45N7O6	539.3432	NA	PeJP	NA	NA
+MJ078898	Tumonoic acid B; Me ester 	C29H49NO8	539.345817	NA	MeJP	NA	NA
+PJ004449	KKKH 	C24H45N9O5	539.3544	NA	PeJP	NA	NA
+7415	ACE inhibitor	VLIVP	539.356	antioxidative	Inhouse_peptide	NA	peptide
+MJ078899	Halichomycin 	C33H49NO5	539.361073	NA	MeJP	NA	NA
+PJ004450	PVVLL 	C27H49N5O6	539.3683	NA	PeJP	NA	NA
+HMDB06347	Hexacosanoyl carnitine	C33H65NO4	539.49133	http://www.hmdb.ca/metabolites/HMDB06347	HMDB	NA	NA
+HMDB06347	Hexacosanoyl carnitine	C33H65NO4	539.49133	HMDB06347	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06347	Hexacosanoyl carnitine	C33H65NO4	539.491333	NA	HMDB2010	NA	NA
+HMDB11760	Cer(d18:0/16:0)	C34H69NO3	539.527771	NA	HMDB2010	NA	NA
+C14184	Mirex	C10Cl12	539.6262	NA	KEGG	NA	NA
+MJ078900	3,3',4,4'-Tetrabromo-5,5'-dichloro-1,1'-dimethyl-2,2'-bi-1H-pyrrole 	C10H6Br4Cl2N2	539.664154	NA	MeJP	NA	NA
+C13620	Tetrabromobisphenol A	C15H12Br4O2	539.7571	NA	KEGG	NA	NA
+MJ078901	Antibiotic BE 55051 	C22H9Cl5N2O4	539.900495	NA	MeJP	NA	NA
+MJ078902	Antibiotic SQ 14359 	C18H20N8O6S3	540.066792	NA	MeJP	NA	NA
+MJ078903	Griseorhodin C; 8-Me ether 	C26H20O13	540.09039	NA	MeJP	NA	NA
+MJ078904	4',4''',5,5'',7,7''-Hexahydroxy-3',3'''-biflavone; 2S,3-Dihydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078905	Amentoflavone; 2'',3''-Dihydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078906	Amentoflavone; 2,3-Dihydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078907	Hinokiflavone; 2,3-Dihydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078908	Lanceolatin A 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078909	Mesuaferrone A; 2,3-Didehydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078910	Ochnaflavone; 2'',3''-Dihydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078911	Ochnaflavone; 2,3-Dihydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078912	Rhusflavanone; 2'',3''-Didehydro 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078913	Tectograndone 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078914	Volkensiflavone 	C30H20O10	540.105646	NA	MeJP	NA	NA
+MJ078915	Hiascic acid; 4-Me ether, 5-Ac 	C27H24O12	540.126776	NA	MeJP	NA	NA
+MJ078916	Yunnaneic acid D 	C27H24O12	540.126776	NA	MeJP	NA	NA
+PJ004451	SCCND 	C17H28N6O10S2	540.1309	NA	PeJP	NA	NA
+MJ078917	Sceptrin; 3'-Debromo 	C22H25BrN10O2	540.134532	NA	MeJP	NA	NA
+MJ078918	?-Sorigenin; 6-Methoxy, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H28O14	540.147905	NA	MeJP	NA	NA
+MJ078919	Adoxosidic acid; 10-O-(4-Carboxy-2-hydroxybenzoyl) 	C24H28O14	540.147905	NA	MeJP	NA	NA
+MJ078920	Kingiside; 8-Epimer, 6'-O-(2,5-dihydroxybenzoyl) 	C24H28O14	540.147905	NA	MeJP	NA	NA
+PJ004452	GCCQM 	C18H32N6O7S3	540.1495	NA	PeJP	NA	NA
+MJ078921	N,N'-Bis(?-glutamyl)-3,3'-(1,2-propylenedithio)dialanine 	C19H32N4O10S2	540.155984	NA	MeJP	NA	NA
+PJ004453	GCCCR 	C17H32N8O6S3	540.1607	NA	PeJP	NA	NA
+MJ078922	Aloesin; 2'-O-(4-Hydroxy-E-cinnamoyl) 	C28H28O11	540.163161	NA	MeJP	NA	NA
+MJ078923	Aloesin; 2'-O-(4-Hydroxy-Z-cinnamoyl) 	C28H28O11	540.163161	NA	MeJP	NA	NA
+MJ078924	Aloesin; 6'-O-(4-Hydroxy-E-cinnamoyl) 	C28H28O11	540.163161	NA	MeJP	NA	NA
+MJ078925	Dehydrobruceolide; 15-Benzoyl 	C28H28O11	540.163161	NA	MeJP	NA	NA
+MJ078926	Diphyllin; O-[3,4-Di-O-methyl-D-xylopyranoside] 	C28H28O11	540.163161	NA	MeJP	NA	NA
+MJ078927	Dukunolide A; 30?-Acetoxy 	C28H28O11	540.163161	NA	MeJP	NA	NA
+C10548	Cleistanthin A	C28H28O11	540.1632	NA	KEGG	NA	NA
+C17781	2''-o-p-Coumaroylaloesin	C28H28O11	540.1632	NA	KEGG	NA	NA
+PJ004454	SSCNM 	C18H32N6O9S2	540.1672	NA	PeJP	NA	NA
+MJ078928	Hyperlatolic acid; 3,5-Dichloro, O-de-Me, 2'-Me ether 	C27H34Cl2O7	540.168158	NA	MeJP	NA	NA
+MJ078929	Antirrhinoside; 10-Hydroxy, 5-O-?-D-glucopyranoside 	C21H32O16	540.169034	NA	MeJP	NA	NA
+PJ004455	DDEY 	C22H28N4O12	540.1704	NA	PeJP	NA	NA
+MJ078930	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,16,19-Tri-Ac 	C26H37BrO7	540.172266	NA	MeJP	NA	NA
+MJ078931	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, 2,7,16-Tri-Ac 	C26H37BrO7	540.172266	NA	MeJP	NA	NA
+MJ078932	Isoparguerol; 7,16-Di-Ac 	C26H37BrO7	540.172266	NA	MeJP	NA	NA
+MJ078933	Pauridianthoside 	C27H28N2O10	540.174395	NA	MeJP	NA	NA
+PJ004456	EMMM 	C20H36N4O7S3	540.1746	NA	PeJP	NA	NA
+MJ078934	6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 2,9,12-Tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078935	6-Chloro-2,8,9,11,12-pentahydroxy-3,5(16),13-briaratrien-18,7-olide; 9-Epimer, 2,9,12-tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078936	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 2,9,12-tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078937	6-Chloro-2,8,9,14-tetrahydroxy-3,5(16),11(20)-briaratrien-18,7-olide, 11?,20-Epoxide, 2,9,14-tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078938	6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 9,11,12-Tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078939	6-Chloro-4,8-epoxy-2,4,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; 2,9,14-Tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078940	6-Chloro-4,8-epoxy-2,4,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; Enantiomer, 2,9,14-tri-Ac 	C26H33ClO10	540.176224	NA	MeJP	NA	NA
+MJ078941	2',4',7-Trihydroxy-3-(2',4',7-trihydroxyisoflavan-5'-yl)-2-flavene, 4',4''-Di-Me ether 	C32H28O8	540.178417	NA	MeJP	NA	NA
+MJ078942	2',4',7-Trihydroxy-3-(2',4',7-trihydroxyisoflavan-6-yl)flav-2-ene, 4',4'''-Di-Me ether 	C32H28O8	540.178417	NA	MeJP	NA	NA
+MJ078943	2-(3,4-Dihydro-10-hydroxy-9-methoxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5-yl)-1,8-dihydroxy-6-methyl-9,10-anthraquinone; 7'-Methoxy 	C32H28O8	540.178417	NA	MeJP	NA	NA
+MJ078944	Shikometabolin C 	C32H28O8	540.178417	NA	MeJP	NA	NA
+MJ078945	Xanthorrhone; 4'-Hydroxy 	C32H28O8	540.178417	NA	MeJP	NA	NA
+MJ078946	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078947	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078948	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D- glucopyranoside] 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078949	2-Acetyl-3-methyl-1,8-naphthalenediol; 8-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078950	Dihydrooroselol, O-[Apiofuranosyl-?-D-glucopyranoside] 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078951	Harpagide; 8-O-(4-Hydroxy-3-methoxycinnamoyl) 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078952	Iridolinarin C; 7'?-Hydroxy 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078953	Isoligustrosidic acid; 3''-Hydroxy, Me ester 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078954	Ligustaloside B 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078955	Oleuropein 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078956	Oleuroside 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078957	Paulownioside; 7-Epimer, 10-(4-methoxy-E-cinnamoyl) 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078958	Paulownioside; 7-Epimer, 10-(4-methoxy-Z-cinnamoyl) 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078959	Paulownioside; 8-Epimer, 10-(4-methoxy-E-cinnamoyl) 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078960	Paulownioside; 8-Epimer, 10-(4-methoxy-Z-cinnamoyl) 	C25H32O13	540.184291	NA	MeJP	NA	NA
+MJ078961	Syringopicrogenin A; 3'-Methoxy, 3''-hydroxy, 8-O-?-D-glucopyranoside 	C25H32O13	540.184291	NA	MeJP	NA	NA
+JH241	Oleuropein [M+H]+	C25H32O13	540.1843	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH241	Oleuropein [M+H]+	C25H32O13	540.1843	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH241	Oleuropein [M+H]+	C25H32O13	540.1843	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH241	Oleuropein [M+H]+	C25H32O13	540.1843	14.15	Inhousejuil11	NA	NA
+C09794	Oleuropein	C25H32O13	540.1843	NA	KEGG	NA	NA
+C11664	10-Deoxygeniposide tetraacetate	C25H32O13	540.1843	NA	KEGG	NA	NA
+C11665	7-Deoxygardoside metyl ester tetraacetate	C25H32O13	540.1843	NA	KEGG	NA	NA
+PJ004457	GSSSTC 	C18H32N6O11S	540.185	NA	PeJP	NA	NA
+PJ004458	GCCKM 	C19H36N6O6S3	540.1859	NA	PeJP	NA	NA
+PJ004459	DEMF 	C23H32N4O9S	540.189	NA	PeJP	NA	NA
+MJ078962	Aglaiastatin; 3'-Hydroxy, 5a''',N6'''-didehydro 	C31H28N2O7	540.189651	NA	MeJP	NA	NA
+FL63ACNC0002	Pilosanol A	C29H32O10	540.19954	142542-76-5	knapsack	NA	NA
+MJ078963	Aloesinol, 7-Me ether, 2''-O-cinnamoyl(E-) 	C29H32O10	540.199547	NA	MeJP	NA	NA
+MJ078964	Daphnetoxin; 12?-Acetoxy 	C29H32O10	540.199547	NA	MeJP	NA	NA
+MJ078965	Pilosanol A 	C29H32O10	540.199547	NA	MeJP	NA	NA
+MJ078966	Schizantherin L; Ac 	C29H32O10	540.199547	NA	MeJP	NA	NA
+PJ004460	NNMY 	C22H32N6O8S	540.2002	NA	PeJP	NA	NA
+PJ004461	GGNMY 	C22H32N6O8S	540.2003	NA	PeJP	NA	NA
+PJ004462	SSSSSS 	C18H32N6O13	540.2027	NA	PeJP	NA	NA
+PJ004463	STCCK 	C19H36N6O8S2	540.2036	NA	PeJP	NA	NA
+MJ078967	Heteropsine 	C35H28N2O4	540.204907	NA	MeJP	NA	NA
+PJ004464	TEEY 	C23H32N4O11	540.2068	NA	PeJP	NA	NA
+PJ004465	PMMY 	C24H36N4O6S2	540.2076	NA	PeJP	NA	NA
+MJ078968	Antibiotic FR 183739 	C24H36N4O6S2	540.207626	NA	MeJP	NA	NA
+MJ078969	Antibiotic FR 901228 	C24H36N4O6S2	540.207626	NA	MeJP	NA	NA
+MJ078970	Vincosamide; 3-Epimer, 2'-Ac 	C28H32N2O9	540.21078	NA	MeJP	NA	NA
+MJ078971	Lyaloside; Nb-Me 	C28H33N2O9(+)	540.21078	NA	MeJP	NA	NA
+PJ004466	GPCQH 	C21H32N8O7S	540.2115	NA	PeJP	NA	NA
+MJ078972	Punaglandin 3; 17,18-Dihydro, 12-Ac 	C27H37ClO9	540.21261	NA	MeJP	NA	NA
+MJ078973	Punaglandin 3; 17,18-Dihydro, 7Z-isomer, 12-Ac 	C27H37ClO9	540.21261	NA	MeJP	NA	NA
+MJ078974	Punaglandin 5; 12-Ac 	C27H37ClO9	540.21261	NA	MeJP	NA	NA
+FL2FA9NC0007	Leucadenone A	C33H32O7	540.2148	249915-34-2	knapsack	NA	NA
+FL2FA9NC0008	Leucadenone B	C33H32O7	540.2148	249915-36-4	knapsack	NA	NA
+FL2FA9NC0009	Leucadenone C	C33H32O7	540.2148	249915-38-6	knapsack	NA	NA
+FL2FA9NC0010	Leucadenone D	C33H32O7	540.2148	249915-39-7	knapsack	NA	NA
+MJ078975	Citrumarin B 	C33H32O7	540.214803	NA	MeJP	NA	NA
+MJ078976	Citrumarin D 	C33H32O7	540.214803	NA	MeJP	NA	NA
+MJ078977	Dacroidain 	C33H32O7	540.214803	NA	MeJP	NA	NA
+MJ078978	Dalcriodain 	C33H32O7	540.214803	NA	MeJP	NA	NA
+MJ078979	Leucadenone A 	C33H32O7	540.214803	NA	MeJP	NA	NA
+PJ004467	GSSQY 	C22H32N6O10	540.218	NA	PeJP	NA	NA
+MJ078980	2,3,8,9,11,12,17-Heptahydroxy-5,13-briaradien-18,7-olide, 2,3,9-Tri-Ac 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078981	2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 2,9,14-Tri-Ac 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078982	3,3',4,5',7,9,9'-Heptahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-L-rhamnopyranoside 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078983	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078984	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 4-O-?-D-glucopyranoside 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078985	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 7-O-?-D-glucopyranoside 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078986	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-?-D-glucopyranoside 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078987	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 7-O-?-D-glucopyranoside 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078988	Chaparrin; 2-O-?-D-Glucopyranoside, 13,18-didehydro 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078989	Foliamenthin 	C26H36O12	540.220676	NA	MeJP	NA	NA
+MJ078990	Jasminin; 8,9-Didehydro 	C26H36O12	540.220676	NA	MeJP	NA	NA
+PJ004468	PDFY 	C27H32N4O8	540.222	NA	PeJP	NA	NA
+MJ078991	Pyridomycin 	C27H32N4O8	540.222014	NA	MeJP	NA	NA
+PJ004469	VEMY 	C24H36N4O8S	540.2254	NA	PeJP	NA	NA
+PJ004470	QQEH 	C21H32N8O9	540.2292	NA	PeJP	NA	NA
+PJ004471	GAQEH 	C21H32N8O9	540.2293	NA	PeJP	NA	NA
+PJ004472	NNFF 	C26H32N6O7	540.2333	NA	PeJP	NA	NA
+MJ078992	1-(3,4-Dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylic acid; Me ester 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078993	15,16-Epoxy-2,3-dihydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-(3-Methyl-2-butenoyl), 3-angeloyl 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078994	15,16-Epoxy-2,3-dihydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-Angeloyl, 3-(3-methyl-2-butenoyl) 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078995	Gedunin; 11?-Acetoxy 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078996	Gedunin; 6?-Acetoxy 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078997	Isonimolicinolide 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078998	Nimbin 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ078999	Sesquipinsapol A; 9?-Alcohol (lactol) 	C30H36O9	540.235932	NA	MeJP	NA	NA
+MJ079000	Sesquipinsapol B 	C30H36O9	540.235932	NA	MeJP	NA	NA
+PJ004473	CQKY 	C23H36N6O7S	540.2366	NA	PeJP	NA	NA
+PJ004474	GAPPPC 	C23H36N6O7S	540.2367	NA	PeJP	NA	NA
+PJ004475	NDHR 	C20H32N10O8	540.2405	NA	PeJP	NA	NA
+PJ004476	PMFF 	C28H36N4O5S	540.2407	NA	PeJP	NA	NA
+PJ004477	LMMF 	C25H40N4O5S2	540.244	NA	PeJP	NA	NA
+PJ004478	AQHW 	C25H32N8O6	540.2445	NA	PeJP	NA	NA
+PJ004479	GPCKH 	C22H36N8O6S	540.2479	NA	PeJP	NA	NA
+MJ079001	Ingenol; 20-Deoxy, 3,5-dibenzoyl 	C34H36O6	540.251188	NA	MeJP	NA	NA
+PJ004480	GSSKY 	C23H36N6O9	540.2544	NA	PeJP	NA	NA
+HMDB10357	Tetrahydroaldosterone-3-glucuronide	C27H40O11	540.25708	NA	HMDB2010	NA	NA
+MJ079002	Safracin A; 8-Hydroxy 	C28H36N4O7	540.258399	NA	MeJP	NA	NA
+PJ004481	PVYY 	C28H36N4O7	540.2584	NA	PeJP	NA	NA
+MJ079003	Saccharocin 	C21H40N4O12	540.264272	NA	MeJP	NA	NA
+C17998	Saccharocin	C21H40N4O12	540.2643	NA	KEGG	NA	NA
+PJ004482	GPPDR 	C22H36N8O8	540.2656	NA	PeJP	NA	NA
+PJ004483	AAPPW 	C27H36N6O6	540.2697	NA	PeJP	NA	NA
+MJ079004	11,16:15,16-Diepoxy-1,6,7-trihydroxy-18-clerodanal, 7-Cinnamoyl(E-), 1-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079005	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 14,15-di-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079006	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,14-di-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079007	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 14,15-di-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079008	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,14-di-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079009	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,15-di-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079010	5,11-Jatrophadiene-3,7,9,14,15-pentol, 7-Ketone, 3-benzoyl, 9,14-di-Ac 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079011	7-O-(3-Hydroxy-7-drimen-11-yl)isofraxidin, 6'-Oxo, 3'-O-(3-methylbutanoyl) 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079012	Acrovestone; O-De-Me 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079013	Calbistrin A 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079014	Swietenolide; 6-Deoxy, 3-butanoyl 	C31H40O8	540.272318	NA	MeJP	NA	NA
+MJ079015	Swietenolide; 6-Deoxy, O-(2-methylpropanoyl) 	C31H40O8	540.272318	NA	MeJP	NA	NA
+PJ004484	CKKY 	C24H40N6O6S	540.273	NA	PeJP	NA	NA
+MJ079016	Gypsetin 	C32H36N4O4	540.273655	NA	MeJP	NA	NA
+PJ004485	TQHR 	C21H36N10O7	540.2769	NA	PeJP	NA	NA
+MJ079017	Chrestifoline C 	C37H36N2O2	540.277678	NA	MeJP	NA	NA
+MJ079018	Murrastifoline C 	C37H36N2O2	540.277678	NA	MeJP	NA	NA
+PJ004486	AKHW 	C26H36N8O5	540.2809	NA	PeJP	NA	NA
+MJ079019	Antibiotic TMC 1C; 4',5'-Dihydro 	C30H40N2O7	540.283551	NA	MeJP	NA	NA
+MJ079020	Caribaeoside; Aglycone, 15-Ac 	C30H40N2O7	540.283551	NA	MeJP	NA	NA
+PJ004487	APPKE 	C24H40N6O8	540.2908	NA	PeJP	NA	NA
+MJ079021	14-Labdene-3,6,8,12,13,20-hexol, 6,8,12,20-Tetra-Ac 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079022	16,17,19-Kauranetriol, 19-Carboxylic acid, 17-Ac, ?-D-glucopyranosyl ester 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079023	2,3,5,14,20,22,25-Heptahydroxy-6-oxocholest-7-en-26-oic acid, Me ester 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079024	3,8(17)-Dolabelladiene-2,7,9,16,18-pentol, 16-(3-Hydroxy-3-methylglutaroyl), 18-Ac 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079025	3,8(17)-Dolabelladiene-2,7,9,16,18-pentol, 16-(3-Hydroxy-3-methylglutaroyl), 2-Ac 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079026	8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl), 18-Ac 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079027	8,9-Epoxy-3-dolabellene-2,7,16,18-tetrol, 16-(3-Hydroxy-3-methylglutaryl), 2-Ac 	C28H44O10	540.293447	NA	MeJP	NA	NA
+MJ079028	4,4'-[(1,3-Dioxo-1,3-propanediyl)diimino]bisbenzoic acid; Bis[2-(diethylamino)ethyl] ester 	C29H40N4O6	540.294785	NA	MeJP	NA	NA
+MJ079029	Phoenistatin 	C29H40N4O6	540.294785	NA	MeJP	NA	NA
+PJ004488	VLFY 	C29H40N4O6	540.2948	NA	PeJP	NA	NA
+PJ004489	APPTR 	C23H40N8O7	540.302	NA	PeJP	NA	NA
+7703	pyrokinin TENMO-PK-1	HVVNFTPRL~	540.30245	MH2+	Inhouse_peptide	NA	peptide
+MJ079030	3,25-Dihydroxy-12,15-dioxo-13,16,20(22),23-isomalabaricatetraen-29-oic acid, 3-Ac 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079031	3,3',4,4',9,9'-Hexahydroxylignan, 3,4:3',4'-Bis(methylene) ether, 9-O-dodecanoyl 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079032	3-Hydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 3-Ac 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079033	Bisacutifolone A 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079034	Bufogenin; 3-(7-Carboxyheptanoyl) 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079035	Ciclesonide 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079036	Ingenol; 3-(2E,4Z-Decadienoyl), 20-Ac 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079037	Milbemycin ?3; 5-Ketone 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079038	Pregnane-3,12,14,17,20-pentol, 12-Cinnamoyl, 20-Ac 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079039	Pregnane-3,12,14,17,20-pentol, 20-Cinnamoyl, 12-Ac 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079040	Tricholidic acid 	C32H44O7	540.308703	NA	MeJP	NA	NA
+MJ079041	Vilasinin; 1-(2-Methylpropanoyl), 3-Ac 	C32H44O7	540.308703	NA	MeJP	NA	NA
+PJ004490	TKHR 	C22H40N10O6	540.3133	NA	PeJP	NA	NA
+MJ079042	Crocacin A; 5,6-Dihydro 	C31H44N2O6	540.319937	NA	MeJP	NA	NA
+MJ079043	Talatizamine; O18-De-Me, O14-Me, 18-O-(2-aminobenzoyl) 	C31H44N2O6	540.319937	NA	MeJP	NA	NA
+MJ079044	Panduratin B 	C36H44O4	540.323959	NA	MeJP	NA	NA
+7799	ACE inhibitor	AVVRP	540.326	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ004491	SPPLK 	C25H44N6O7	540.3272	NA	PeJP	NA	NA
+MJ079045	16,17,19-Kauranetriol, 19-O-(4-O-Methyl-?-D-glucopyranoside), O17-Ac 	C29H48O9	540.329833	NA	MeJP	NA	NA
+MJ079046	16,17,19-Kauranetriol, 19-O-(6-O-Acetyl-4-O-methyl-?-D-glucopyranoside) 	C29H48O9	540.329833	NA	MeJP	NA	NA
+PJ004492	GPVLR 	C24H44N8O6	540.3384	NA	PeJP	NA	NA
+MJ079047	Antibiotic YM 32890A 	C33H48O6	540.345089	NA	MeJP	NA	NA
+MJ079048	Antibiotic YM 32890B 	C33H48O6	540.345089	NA	MeJP	NA	NA
+MJ079049	Bruceajavanin A; 20-De-Ac, O20-Me 	C33H48O6	540.345089	NA	MeJP	NA	NA
+MJ079050	Leptomycin B 	C33H48O6	540.345089	NA	MeJP	NA	NA
+MJ079051	Milbemycin E; 28-Deoxy, O-de-Me, 5-ketone 	C33H48O6	540.345089	NA	MeJP	NA	NA
+MJ079052	Erythreine; Complex with Erythreidine CGF96-P 	C34H44N4O2	540.346426	NA	MeJP	NA	NA
+PJ004493	PLRR 	C23H44N10O5	540.3496	NA	PeJP	NA	NA
+MJ079053	Aragusterol C; 3-Di-Me ketal 	C31H53ClO5	540.358152	NA	MeJP	NA	NA
+PJ004494	APLLK 	C26H48N6O6	540.3636	NA	PeJP	NA	NA
+MJ079054	7-Labdene-2,3,15-triol, 3-(2-Methylpropanoyl), 2-O-?-fucopyranoside 	C30H52O8	540.366218	NA	MeJP	NA	NA
+MJ079055	Longilene peroxide 	C30H52O8	540.366218	NA	MeJP	NA	NA
+MJ079056	3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-(2-methylpropanoyl) 	C34H52O5	540.381474	NA	MeJP	NA	NA
+MJ079057	3,23-Dihydroxy-20(30)-lupen-29-al, Di-Ac 	C34H52O5	540.381474	NA	MeJP	NA	NA
+MJ079058	Lagunapyrone B 	C34H52O5	540.381474	NA	MeJP	NA	NA
+MJ079059	Buxidienine I; N20,N20-Di-Me, N3-angeloyl, O16-Ac 	C33H52N2O4	540.392708	NA	MeJP	NA	NA
+MetaCyc03816	dihydromethanophenazine []	C37H52N2O1	540.407964	NA	metacyc	NA	NA
+C11904	Dihydromethanophenazine	C37H52N2O	540.408	NA	KEGG	NA	NA
+MJ079060	1,3,5-Tris(decanoyl)benzene 	C36H60O3	540.454245	NA	MeJP	NA	NA
+MJ079061	24-Hydroxy-3-ursanone; 24-(2-Hydroxy-3E-hexen-2-yl) ether 	C36H60O3	540.454245	NA	MeJP	NA	NA
+HMDB03063	(9-cis,9'-cis)-7,7',8,8'-tetrahydro-y,y-Carotene	C40H60	540.46948	http://www.hmdb.ca/metabolites/HMDB03063	HMDB	NA	NA
+HMDB03063	(9-cis,9'-cis)-7,7',8,8'-tetrahydro-y,y-Carotene	C40H60	540.46948	HMDB03063	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03063	(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene	C40H60	540.469482	NA	HMDB2010	NA	NA
+C05430	zeta-Carotene	C40H60	540.4695	NA	KEGG	NA	NA
+C15857	9,9'-Di-cis-zeta-carotene	C40H60	540.4695	NA	KEGG	NA	NA
+MJ079062	zeta-Carotene 	C40H60	540.469501	NA	MeJP	NA	NA
+MJ079063	1,1',2,2'-Tetrahydrolycopene 	C40H60	540.469501	NA	MeJP	NA	NA
+MJ079064	1,2,7,8-Tetrahydrolycopene 	C40H60	540.469501	NA	MeJP	NA	NA
+MJ079065	7',8',11',12'-Tetrahydro-?,?-carotene 	C40H60	540.469501	NA	MeJP	NA	NA
+MJ079066	7,7',8,8'-Tetrahydrolycopene 	C40H60	540.469501	NA	MeJP	NA	NA
+MJ079067	7,8,11,12-Tetrahydrolycopene 	C40H60	540.469501	NA	MeJP	NA	NA
+MJ079068	?,?-Carotene; 7',8',11',12'-Tetrahydro 	C40H60	540.469501	NA	MeJP	NA	NA
+MetaCyc03817	&zeta;-carotene []	C40H60	540.469502	NA	metacyc	NA	NA
+MetaCyc03818	9,15,9'-cis-&zeta;-carotene []	C40H60	540.469502	NA	metacyc	NA	NA
+MetaCyc03819	9,9'-di-cis-&zeta;-carotene []	C40H60	540.469502	NA	metacyc	NA	NA
+HMDB07011	DG(14:0/16:0/0:0)	C33H64O5	540.475403	NA	HMDB2010	NA	NA
+HMDB07068	DG(15:0/15:0/0:0)	C33H64O5	540.475403	NA	HMDB2010	NA	NA
+HMDB07095	DG(16:0/14:0/0:0)	C33H64O5	540.475403	NA	HMDB2010	NA	NA
+HMDB03603	Cholesteryl decanoate	C37H64O2	540.4906	http://www.hmdb.ca/metabolites/HMDB03603	HMDB	NA	NA
+HMDB03603	Cholesteryl decanoate	C37H64O2	540.4906	HMDB03603	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03603	CE(10:0)	C37H64O2	540.490601	NA	HMDB2010	NA	NA
+MJ079069	3-(11,15,19-Dotriacontatrienyl)-5-methyl-2(5H)-furanone 	C37H64O2	540.490631	NA	MeJP	NA	NA
+MJ079070	3-(13,17,21-Dotriacontatrienyl)-5-methyl-2(5H)-furanone 	C37H64O2	540.490631	NA	MeJP	NA	NA
+7326	celiac sprue gluten epitope from gamma-gliadin	PQTQQPQQQ	540.7495	MH2+	Inhouse_peptide	NA	peptide
+7369	celiac sprue gluten epitope found in hordein	PQPYPQQPQ	540.7515	MH2+	Inhouse_peptide	NA	peptide
+7413	celiac sprue gluten epitope found in secalin*	PQPQQPYPQ	540.7515	MH2+	Inhouse_peptide	NA	peptide
+7312	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQQL	540.77	MH2+	Inhouse_peptide	NA	peptide
+7316	celiac sprue gluten epitope from gamma-gliadin	PFPQQQQPL	540.77	MH2+	Inhouse_peptide	NA	peptide
+7332	celiac sprue gluten epitope from gamma-gliadin	QLPFPQQPQ	540.77	MH2+	Inhouse_peptide	NA	peptide
+7333	celiac sprue gluten epitope from gamma-gliadin	QQPQLPFPQ	540.77	MH2+	Inhouse_peptide	NA	peptide
+7334	celiac sprue gluten epitope from gamma-gliadin	QQPQQPFPL	540.77	MH2+	Inhouse_peptide	NA	peptide
+7381	celiac sprue gluten epitope found in hordein	QQPFPQQPI	540.77	MH2+	Inhouse_peptide	NA	peptide
+7396	celiac sprue gluten epitope found in secalin	IQPQQPFPQ	540.77	MH2+	Inhouse_peptide	NA	peptide
+7398	celiac sprue gluten epitope found in secalin	PFPQQPQQI	540.77	MH2+	Inhouse_peptide	NA	peptide
+MJ079071	Clioxanide 	C15H10ClI2NO3	540.843857	NA	MeJP	NA	NA
+MJ079072	Discorhabdin C; 14-Bromo, 3-alcohol 	C18H14Br3N3O2	540.863614	NA	MeJP	NA	NA
+C05922	Formamidopyrimidine nucleoside triphosphate	C10H18N5O15P3	541.0012	NA	KEGG	NA	NA
+HMDB06822	Formamidopyrimidine nucleoside triphosphate	C10H18N5O15P3	541.00122	http://www.hmdb.ca/metabolites/HMDB06822	HMDB	NA	NA
+HMDB06822	Formamidopyrimidine nucleoside triphosphate	C10H18N5O15P3	541.00122	HMDB06822	PFEM_hmdb_metabocards_official	NA	NA
+MJ079073	Formamidopyrimidine nucleoside triphosphate 	C10H18N5O15P3	541.001224	NA	MeJP	NA	NA
+MJ079074	N-[3-[[(3-Bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl]-2,4-dichlorophenyl]-2-[[(ethylamino)carbonyl]amino]-N-methylacetamide 	C21H22BrCl2N5O3	541.028307	NA	MeJP	NA	NA
+C13050	Cyclic ADP-ribose	C15H21N5O13P2	541.0611	NA	KEGG	NA	NA
+MJ079075	Cyclic ADP-ribose 	C15H21N5O13P2	541.061108	NA	MeJP	NA	NA
+C15635	GW 4064	C28H22Cl3NO4	541.0614	NA	KEGG	NA	NA
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR262	Nicotinamide adenine di nucleotide F2	NA	541.067275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR262	Nicotinamide adenine di nucleotide F2	NA	541.067275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR262	Nicotinamide adenine di nucleotide F2	NA	541.067275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR262	Nicotinamide adénine di nucléotide F2	F2	541.067275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR262	Nicotinamide adenine di nucleotide F2	NA	541.067275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR262	Nicotinamide adenine di nucleotide F2	F2	541.067275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ004495	SCCDD 	C17H27N5O11S2	541.1149	NA	PeJP	NA	NA
+PJ004496	GCCEM 	C18H31N5O8S3	541.1335	NA	PeJP	NA	NA
+PJ004497	CCMW 	C22H31N5O5S3	541.1488	NA	PeJP	NA	NA
+PJ004498	SSCDM 	C18H31N5O10S2	541.1513	NA	PeJP	NA	NA
+PJ004499	GPCCY 	C22H31N5O7S2	541.1665	NA	PeJP	NA	NA
+PJ004500	GTCMM 	C19H35N5O7S3	541.1699	NA	PeJP	NA	NA
+PJ004501	NDMY 	C22H31N5O9S	541.1843	NA	PeJP	NA	NA
+PJ004502	SSSMM 	C19H35N5O9S2	541.1876	NA	PeJP	NA	NA
+MJ079076	Aklavine; N,N-Di-de-Me 	C28H31NO10	541.194796	NA	MeJP	NA	NA
+MJ079077	Antibiotic D 788-3; 7-Me ether 	C28H31NO10	541.194796	NA	MeJP	NA	NA
+MJ079078	Feudomycin B 	C28H31NO10	541.194796	NA	MeJP	NA	NA
+MJ079079	Menogaril 	C28H31NO10	541.194796	NA	MeJP	NA	NA
+PJ004503	GPCEH 	C21H31N7O8S	541.1955	NA	PeJP	NA	NA
+PJ004504	ACYW 	C26H31N5O6S	541.1995	NA	PeJP	NA	NA
+PJ004505	GSSEY 	C22H31N5O11	541.202	NA	PeJP	NA	NA
+PJ004506	NMMF 	C23H35N5O6S2	541.2029	NA	PeJP	NA	NA
+C06450	Myxochlin C	C27H31N3O9	541.206	NA	KEGG	NA	NA
+PJ004507	PCHW 	C25H31N7O5S	541.2108	NA	PeJP	NA	NA
+C13441	Dimethylaminoethyl reserpilinate dihydrochloride	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13442	Transferred to D01951	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13443	Transferred to D01952	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13444	Transferred to D01953	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13445	Transferred to D01954	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13446	Transferred to D01955	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13447	Transferred to D01956	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13448	Transferred to D01957	C26H35N3O5	541.211	NA	KEGG	NA	NA
+C13449	Transferred to D01958	C26H35N3O5	541.211	NA	KEGG	NA	NA
+PJ004508	QEEH 	C21H31N7O10	541.2133	NA	PeJP	NA	NA
+PJ004509	SSYW 	C26H31N5O8	541.2173	NA	PeJP	NA	NA
+PJ004510	TQMY 	C23H35N5O8S	541.2206	NA	PeJP	NA	NA
+PJ004511	GATMY 	C23H35N5O8S	541.2207	NA	PeJP	NA	NA
+PJ004512	DDHR 	C20H31N9O9	541.2245	NA	PeJP	NA	NA
+MJ079080	Uvarindole B 	C36H31NO4	541.225308	NA	MeJP	NA	NA
+PJ004513	AEHW 	C25H31N7O7	541.2285	NA	PeJP	NA	NA
+PJ004514	TCRY 	C22H35N7O7S	541.2319	NA	PeJP	NA	NA
+MJ079081	Tuberactinomycin N; De(hydroxylysyl) 	C19H31N11O8	541.235707	NA	MeJP	NA	NA
+PJ004515	GTTTY 	C23H35N5O10	541.2384	NA	PeJP	NA	NA
+MJ079082	Destomycin A; 4',4''-Diepimer, N3-Me 	C21H39N3O13	541.248288	NA	MeJP	NA	NA
+MJ079083	Destomycin A; N3-Me 	C21H39N3O13	541.248288	NA	MeJP	NA	NA
+PJ004516	SPTTH 	C22H35N7O9	541.2496	NA	PeJP	NA	NA
+PJ004517	KEEH 	C22H35N7O9	541.2497	NA	PeJP	NA	NA
+PJ004518	VNFY 	C27H35N5O7	541.2537	NA	PeJP	NA	NA
+PJ004519	TKMY 	C24H39N5O7S	541.257	NA	PeJP	NA	NA
+PJ004520	TEHR 	C21H35N9O8	541.2609	NA	PeJP	NA	NA
+PJ004521	SLHW 	C26H35N7O6	541.2649	NA	PeJP	NA	NA
+MJ079084	Gadesine; 10?-Hydroxy, O14-Benzoyl 	C30H39NO8	541.267567	NA	MeJP	NA	NA
+PJ004522	AALMH 	C23H39N7O6S	541.2683	NA	PeJP	NA	NA
+PJ004523	SPPLE 	C24H39N5O9	541.2748	NA	PeJP	NA	NA
+MJ079085	APEC 	C25H35N9O5	541.276115	NA	MeJP	NA	NA
+PJ004524	VMHR 	C22H39N9O5S	541.2795	NA	PeJP	NA	NA
+PJ004525	ATTLH 	C23H39N7O8	541.286	NA	PeJP	NA	NA
+PJ004526	AAAAAAP 	C23H39N7O8	541.2861	NA	PeJP	NA	NA
+7701	ACE inhibitor from human plasma	YLYEIARR	541.2875	MH2+	Inhouse_peptide	NA	peptide
+PJ004527	TKFF 	C28H39N5O6	541.29	NA	PeJP	NA	NA
+MetaCyc03820	psychosine sulfate []	C24H47N1O10S1	541.292067	NA	metacyc	NA	NA
+C02744	Psychosine sulfate	C24H47NO10S	541.2921	NA	KEGG	NA	NA
+C02745	Reduced flavodoxin	C24H47NO10S	541.2921	NA	KEGG	NA	NA
+PJ004528	PPVVM 	C25H43N5O6S	541.2934	NA	PeJP	NA	NA
+PJ004529	AAPQR 	C22H39N9O7	541.2973	NA	PeJP	NA	NA
+MJ079086	Anopterine 	C31H43NO7	541.303952	NA	MeJP	NA	NA
+MJ079087	Corallopyronin B 	C31H43NO7	541.303952	NA	MeJP	NA	NA
+MJ079088	Dihydrogadesine; O1-Me, O14-benzoyl 	C31H43NO7	541.303952	NA	MeJP	NA	NA
+MJ079089	Neoline; O14-Benzoyl 	C31H43NO7	541.303952	NA	MeJP	NA	NA
+C08658	Anopterine	C31H43NO7	541.304	NA	KEGG	NA	NA
+PJ004530	PNRR 	C21H39N11O6	541.3085	NA	PeJP	NA	NA
+PJ004531	APLLE 	C25H43N5O8	541.3112	NA	PeJP	NA	NA
+EUR660	Lyso PC 18:2 [M+Na]+	C26H50NO7P	541.314438	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR660	Lyso PC 18:2 [M+Na]+	C26H50NO7P	541.314438	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR660	Lyso PC 18:2 [M+Na]+	C26H50NO7P	541.314438	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR660	Lyso PC 18:2 [M+Na]+	C26H50NO7P	541.314438	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10397	LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))	C28H48NO7P	541.316833	NA	HMDB2010	NA	NA
+EUR764	Lyso PC 20:5 monoisotopic mass 	C28H48NO7P	541.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR764	Lyso PC 20:5 monoisotopic mass 	C28H48NO7P	541.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR764	Lyso PC 20:5 monoisotopic mass 	C28H48NO7P	541.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR764	Lyso PC 20:5 monoisotopic mass 	C28H48NO7P	541.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR567	LysoPC(20:5)	[M+H]+	541.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR567	LysoPC(20:5)	[M+H]+	541.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR567	LysoPC(20:5)	[M+H]+	541.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR567	LysoPC(20:5)	NA	541.316875	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR567	LysoPC(20:5)	[M+H]+	541.316875	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR567	LysoPC(20:5)	NA	541.316875	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+PJ004532	GPLQK 	C24H43N7O7	541.3224	NA	PeJP	NA	NA
+PJ004533	AAPKR 	C23H43N9O6	541.3337	NA	PeJP	NA	NA
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR582	LysoPC(16:0)	[M+FA-H]-	541.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR657	Lyso PC 16:0 [M+FA-H]-	C24H50NO7P	541.337372	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR657	Lyso PC 16:0 [M+FA-H]-	C24H50NO7P	541.337372	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR657	Lyso PC 16:0 [M+FA-H]-	C24H50NO7P	541.337372	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR657	Lyso PC 16:0 [M+FA-H]-	C24H50NO7P	541.337372	masses lipides attendues	Inhousejuil11	NA	NA
+EUR703	Lyso PE (18:0) [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR738	Lyso PC 15:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR838	Lyso PE 18:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR703	Lyso PE (18:0) [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR738	Lyso PC 15:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR838	Lyso PE 18:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR703	Lyso PE (18:0) [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR738	Lyso PC 15:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR838	Lyso PE 18:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR703	Lyso PE (18:0) [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	Inhousejuil11	NA	NA
+EUR738	Lyso PC 15:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	Inhousejuil11	NA	NA
+EUR838	Lyso PE 18:0 [M-H+acetate]-	C23H48NO7P	541.337942	masses lipides attendues	Inhousejuil11	NA	NA
+MJ079090	Antibiotic 3127 	C26H47N5O7	541.347548	NA	MeJP	NA	NA
+MJ079091	Poststatin 	C26H47N5O7	541.347548	NA	MeJP	NA	NA
+PJ004534	SPLLL 	C26H47N5O7	541.3476	NA	PeJP	NA	NA
+PJ004535	GPLKK 	C25H47N7O6	541.3588	NA	PeJP	NA	NA
+MJ079092	Lunacridine, 3',4'-Didehydro, O-hexadecanoyl 	C33H51NO5	541.376723	NA	MeJP	NA	NA
+PJ004536	ALLLL 	C27H51N5O6	541.384	NA	PeJP	NA	NA
+MJ079093	5-(2,3-Epoxy-3-methylbutyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]-1H-indole, 5'-Hexadecanoyl 	C34H55NO4	541.413109	NA	MeJP	NA	NA
+MJ079094	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; Di-Me ether 	C14H10Br4O3	541.736344	NA	MeJP	NA	NA
+3324	NA	HDMNKVLDL	541.76255	MH2+	Inhouse_peptide	NA	peptide
+7346	celiac sprue gluten epitope found in glutenin	QFPQQQIPV	541.778	MH2+	Inhouse_peptide	NA	peptide
+MJ079095	Cacoxanthene; 2?,5,7,13-Tetrabromo 	C16H18Br4O	541.809115	NA	MeJP	NA	NA
+FL5FACNSS007	Quercetin 3,7,3'-tri-O-sulfate	C15H10O16S3	541.91309	97763-24-1	knapsack	NA	NA
+FL5FACNSS008	Quercetin 3,7,4'-tri-O-sulfate	C15H10O16S3	541.91309	71368-05-3	knapsack	NA	NA
+MJ079096	3,3',4',5,7-Pentahydroxyflavone; 3,3',7-Tri-O-sulfate 	C15H10O16S3	541.913096	NA	MeJP	NA	NA
+MJ079097	3,3',4',5,7-Pentahydroxyflavone; 3,4',7-Tri-O-sulfate 	C15H10O16S3	541.913096	NA	MeJP	NA	NA
+MetaCyc03821	quercetin 3,3',7-trissulfate []	C15H10O16S3	541.913096	NA	metacyc	NA	NA
+C03897	Quercetin 3,3',7-trissulfate	C15H10O16S3	541.9131	NA	KEGG	NA	NA
+C03898	Quercetin 3,4',7-trissulfate	C15H10O16S3	541.9131	NA	KEGG	NA	NA
+C03899	S-(2-Hydroxyacyl)glutathione	C12H18N3O8SR	541.9131	NA	KEGG	NA	NA
+MJ079098	2-Methyl-1,4-naphthalenediol; Bis(x-sulfobenzoyl) 	C25H18O10S2	542.034138	NA	MeJP	NA	NA
+C06882	Cefonicid	C18H18N6O8S3	542.0348	NA	KEGG	NA	NA
+MJ079099	Cefonicid 	C18H18N6O8S3	542.034823	NA	MeJP	NA	NA
+MJ079100	3',4',5,7-Tetrahydroxyflavone; 7-O-(O-Sulfo-?-D-glucuronopyranoside) 	C21H18O15S	542.03664	NA	MeJP	NA	NA
+MJ079101	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 7-O-sulfate 	C21H18O15S	542.03664	NA	MeJP	NA	NA
+FL3FFAGSS002	8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)	C21H18O15S	542.03664	-	knapsack	NA	NA
+FL5FAAGSS001	Kaempferol 3-glucuronide-7-sulfate	C21H18O15S	542.03664	56857-61-5	knapsack	NA	NA
+FL3FFAGSS001	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)	C22H22O14S	542.07302	136516-95-5	knapsack	NA	NA
+MJ079102	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Sulfato-?-D-glucopyranoside) 	C22H22O14S	542.073026	NA	MeJP	NA	NA
+MJ079103	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2-O-Sulfo-?-D-glucopyranoside) 	C22H22O14S	542.073026	NA	MeJP	NA	NA
+MJ079104	Mangiferin; 2'-O-(4-Hydroxybenzoyl) 	C26H22O13	542.10604	NA	MeJP	NA	NA
+MJ079105	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 2''-Epimer, 3''-deoxy 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079106	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3''-Deoxy 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079107	3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079108	4',4''',5,5'',7,7''-Hexahydroxy-3',3'''-biflavanone 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079109	Amentoflavone; 2,2'',3,3''-Tetrahydro 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079110	Austrovenetin; 10'-Oxo 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079111	Chamaechromone 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079112	Chamaejasmin 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079113	Daphnodorin B 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079114	Daphnodorin G; 3-Deoxy, 2,2',3'-triepimer 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079115	Daphnodorin G; 3-Deoxy, 2-epimer 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079116	Diphysin 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079117	Genkwanol A 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079118	Genkwanol B; 3-Deoxy 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079119	Hinokiflavone; 2,2'',3,3''-Tetrahydro 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079120	Larixinol 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079121	Mesuaferrone A 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079122	Rhodoaphin be 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079123	Rhusflavanone 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079124	Robustaflavone; 2,2'',3,3''-Tetrahydro 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079125	Rubellin A; 4-Hydroxy 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079126	Rubellin C; 4-Hydroxy 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079127	Rugulosin 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079128	Semecarpuflavanone 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079129	Succedaneaflavanone 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079130	Wikstrol A 	C30H22O10	542.121296	NA	MeJP	NA	NA
+MJ079131	Yuccaol A; 3-Epimer, 3''',5'''-dihydroxy, 4'''-Me ether 	C30H22O10	542.121296	NA	MeJP	NA	NA
+C09758	Isochamaejasmin	C30H22O10	542.1213	NA	KEGG	NA	NA
+C16764	Rugulosin	C30H22O10	542.1213	NA	KEGG	NA	NA
+PJ004537	SCCCQ 	C17H30N6O8S3	542.1287	NA	PeJP	NA	NA
+PJ004538	GGTCCC 	C17H30N6O8S3	542.1288	NA	PeJP	NA	NA
+MJ079132	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C27H26O12	542.142426	NA	MeJP	NA	NA
+MJ079133	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C27H26O12	542.142426	NA	MeJP	NA	NA
+MJ079134	2',4,4',5,5'-Pentahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 4',5'-Methylene, 4,5-di-Me ether, 2'-O-?-D-glucopyranoside 	C27H26O12	542.142426	NA	MeJP	NA	NA
+MJ079135	Diphyllin; O-?-D-Glucopyranoside 	C27H26O12	542.142426	NA	MeJP	NA	NA
+PJ004539	GSSSCC 	C17H30N6O10S2	542.1465	NA	PeJP	NA	NA
+MJ079136	Ventilein A; 8'-Methoxy 	C31H26O9	542.157682	NA	MeJP	NA	NA
+PJ004540	GCCNF 	C21H30N6O7S2	542.1618	NA	PeJP	NA	NA
+MJ079137	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H30O14	542.163555	NA	MeJP	NA	NA
+MJ079138	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-2-O-acetyl-?-D-glucopyranoside] 	C24H30O14	542.163555	NA	MeJP	NA	NA
+MJ079139	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], Ac 	C24H30O14	542.163555	NA	MeJP	NA	NA
+MJ079140	Secologanol; 7-O-(3,4,5-Trihydroxybenzoyl) 	C24H30O14	542.163555	NA	MeJP	NA	NA
+MJ079141	Swertiamarin; 2',3',4',6'-Tetra-Ac 	C24H30O14	542.163555	NA	MeJP	NA	NA
+PJ004541	SCCCK 	C18H34N6O7S3	542.1651	NA	PeJP	NA	NA
+PJ004542	DDMY 	C22H30N4O10S	542.1683	NA	PeJP	NA	NA
+PJ004543	MMMM 	C20H38N4O5S4	542.1725	NA	PeJP	NA	NA
+FL5FAAGI0016	Ikarisoside D	C28H30O11	542.17881	113558-12-6	knapsack	NA	NA
+MJ079142	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-(4-Acetyl-?-L-rhamnopyranoside) 	C28H30O11	542.178811	NA	MeJP	NA	NA
+MJ079143	Alvaradoin C 	C28H30O11	542.178811	NA	MeJP	NA	NA
+MJ079144	Bruceanol A 	C28H30O11	542.178811	NA	MeJP	NA	NA
+MJ079145	Bruceolide; 15-Benzoyl 	C28H30O11	542.178811	NA	MeJP	NA	NA
+PJ004544	GSCNY 	C21H30N6O9S	542.1795	NA	PeJP	NA	NA
+PJ004545	DMMF 	C23H34N4O7S2	542.1869	NA	PeJP	NA	NA
+MJ079146	Tetrahydrodeoxycordifoline lactam 	C27H30N2O10	542.190045	NA	MeJP	NA	NA
+MJ079147	11(19)-Havannachlorohydrin 	C26H35ClO10	542.191875	NA	MeJP	NA	NA
+MJ079148	6-Chloro-11,12-epoxy-2,8,9,14-tetrahydroxy-5(16)-briaren-18,7-olide; 2,9,14-Tri-Ac 	C26H35ClO10	542.191875	NA	MeJP	NA	NA
+MJ079149	6-Chloro-2,8,9,11,12-pentahydroxy-5(16),13-briaradien-18,7-olide, 2,9,12-Tri-Ac 	C26H35ClO10	542.191875	NA	MeJP	NA	NA
+MJ079150	6-Chloro-2,8,9,11,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,14-Tri-Ac 	C26H35ClO10	542.191875	NA	MeJP	NA	NA
+MJ079151	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 12-butanoyl, 9-Ac 	C26H35ClO10	542.191875	NA	MeJP	NA	NA
+MJ079152	7(18)-Havannachlorohydrin 	C26H35ClO10	542.191875	NA	MeJP	NA	NA
+MJ079153	4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan 	C32H30O8	542.194067	NA	MeJP	NA	NA
+PJ004546	EEEH 	C21H30N6O11	542.1973	NA	PeJP	NA	NA
+C11646	Deoxyloganin tetraacetate	C25H34O13	542.1999	NA	KEGG	NA	NA
+C11650	8-Epideoxyloganin tetraacetate	C25H34O13	542.1999	NA	KEGG	NA	NA
+MJ079154	Hovetrichoside F 	C25H34O13	542.199941	NA	MeJP	NA	NA
+PJ004547	DDFF 	C26H30N4O9	542.2013	NA	PeJP	NA	NA
+PJ004548	TEMY 	C23H34N4O9S	542.2047	NA	PeJP	NA	NA
+PJ004549	CHHF 	C24H30N8O5S	542.206	NA	PeJP	NA	NA
+PJ004550	GSNEH 	C20H30N8O10	542.2085	NA	PeJP	NA	NA
+MJ079155	1,3,5,15-Tetrahydroxy-16,19-dioxobufa-14,20,22-trienolide, 15-Me ether, 1,3-di-Ac 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079156	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079157	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079158	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9,10-Diketone, 2-benzoyl, 4-Ac 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079159	7?,8?:2',3'-Diepoxyroridin H 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079160	Daphnetoxin; 1,2-Dihydro, 12?-acetoxy 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079161	Ecuadorin 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079162	Elaeodendroside N; 12-Ketone 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079163	Satratoxin G; 13'-Ketone 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079164	Spathelin 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079165	Territrem B' 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079166	Trijugin B; Ac 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079167	Verrucarin L; 8-Ac 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079168	Vertisporin; 7',8'-Didehydro 	C29H34O10	542.215197	NA	MeJP	NA	NA
+MJ079169	Wallifoliol 	C29H34O10	542.215197	NA	MeJP	NA	NA
+PJ004551	VMMY 	C24H38N4O6S2	542.2233	NA	PeJP	NA	NA
+PJ004552	SNHW 	C24H30N8O7	542.2238	NA	PeJP	NA	NA
+3784	NA	YYPT	542.225	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ004553	QQMH 	C21H34N8O7S	542.2271	NA	PeJP	NA	NA
+PJ004554	GGAAMH 	C21H34N8O7S	542.2272	NA	PeJP	NA	NA
+MJ079170	Haterumalide NE; 9R-Hydroxy, 3-Ac, butyl ester 	C27H39ClO9	542.22826	NA	MeJP	NA	NA
+PJ004555	SPPNE 	C22H34N6O10	542.2337	NA	PeJP	NA	NA
+MJ079171	Casteloside C 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079172	Chaparrin; 2-O-?-D-Glucopyranoside 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079173	Cinncassiol C1; 19-O-?-D-Glucopyranoside 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079174	Foliamenthin; 2',3'-Dihydro (R-) 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079175	Isojasminin 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079176	Jasminin 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079177	Mussaenosidic acid; 6'-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079178	Nudifloside B; 4-Deacyl 	C26H38O12	542.236326	NA	MeJP	NA	NA
+MJ079179	Casoxin 6; De(Serylarginyl) 	C27H34N4O8	542.237664	NA	MeJP	NA	NA
+PJ004556	PTYY 	C27H34N4O8	542.2377	NA	PeJP	NA	NA
+PJ004557	CQHR 	C20H34N10O6S	542.2384	NA	PeJP	NA	NA
+PJ004558	GSDKH 	C21H34N8O9	542.2449	NA	PeJP	NA	NA
+PJ004559	GSPPW 	C26H34N6O7	542.2489	NA	PeJP	NA	NA
+MJ079180	1,2,8,9-Tetrahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1,2,8-tri-Ac 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079181	15,16-Epoxy-2,3-dihydroxy-13(16),14-clerodadiene-18,19:20,12-diolide, 2-Angeloyl, 3-(2-methylbutanoyl) 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079182	Citreohybridone A 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079183	Detigloylswietenine; 3-Propanoyl 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079184	Elaeodendroside B 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079185	Isocitreohybridone A 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079186	Khivorin; 7-Deacetoxy, 7-oxo 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079187	Kihadalactone A; 16-Oxo, 14?,15?-epoxide 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079188	Microphyllinic acid; 2'-Me ether 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079189	Nimbocinolide; 23-Ketone(lactone), 21-alcohol(lactol), 11-O-deacyl, 11-Ac 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079190	Peddiea factor A1 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079191	Physagulin C 	C30H38O9	542.251582	NA	MeJP	NA	NA
+MJ079192	Sapxanthone 	C30H38O9	542.251582	NA	MeJP	NA	NA
+PJ004560	APPQM 	C23H38N6O7S	542.2523	NA	PeJP	NA	NA
+PJ004561	GSSHR 	C20H34N10O8	542.2561	NA	PeJP	NA	NA
+PJ004562	VMFF 	C28H38N4O5S	542.2563	NA	PeJP	NA	NA
+8163	antimicrobial peptide derived from aS1-casein (10-14)	GLPQE	542.257	antibacterial	Inhouse_peptide	NA	peptide
+7356	celiac sprue gluten epitope found in hordein	PFPQQPFPQ	542.259	MH2+	Inhouse_peptide	NA	peptide
+MJ079193	2-[1-(1,2-Dimethylpropyl)-10-methylundecyl]-3,4-dihydro-5-iodo-2,8-dimethyl-2H-1-benzopyran-6-ol 	C28H47IO2	542.262074	NA	MeJP	NA	NA
+PJ004563	APPCR 	C22H38N8O6S	542.2635	NA	PeJP	NA	NA
+PJ004564	PPTTQ 	C23H38N6O9	542.27	NA	PeJP	NA	NA
+PJ004565	GPLQE 	C23H38N6O9	542.2701	NA	PeJP	NA	NA
+PJ004566	LHHH 	C24H34N10O5	542.2714	NA	PeJP	NA	NA
+HMDB10320	Cortolone-3-glucuronide	C27H42O11	542.272705	NA	HMDB2010	NA	NA
+MJ079194	Javanicin L; 16-O-?-D-Glucopyranoside 	C27H42O11	542.272712	NA	MeJP	NA	NA
+PJ004567	VVYY 	C28H38N4O7	542.2741	NA	PeJP	NA	NA
+PJ004568	CKHR 	C21H38N10O5S	542.2748	NA	PeJP	NA	NA
+MJ079195	Chaetoglobosin P 	C33H38N2O5	542.278072	NA	MeJP	NA	NA
+PJ004569	AAPER 	C22H38N8O8	542.2813	NA	PeJP	NA	NA
+MJ079196	Thiobinupharidine; 6R,6'S-Dihydroxy, S-oxide (?-) 	C30H42N2O5S	542.281443	NA	MeJP	NA	NA
+PJ004570	PLQW 	C27H38N6O6	542.2853	NA	PeJP	NA	NA
+MJ079197	5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 7,14-di-Ac 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079198	5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 9,14-di-Ac 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079199	Ardisiaquinone B; Me ether (R1 = R2 = CH3) 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079200	Calbistrin C 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079201	Fevicordin F; 22-Ketone, O25-Ac 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079202	Oscillatoxin D 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079203	Superolivetoric acid; 2'-Me ether 	C31H42O8	542.287968	NA	MeJP	NA	NA
+MJ079204	Superolivetoric acid; 4-Me ether 	C31H42O8	542.287968	NA	MeJP	NA	NA
+PJ004571	APPKM 	C24H42N6O6S	542.2887	NA	PeJP	NA	NA
+PJ004572	PDRR 	C21H38N10O7	542.2925	NA	PeJP	NA	NA
+MJ079205	Puberanidine 	C30H42N2O7	542.299201	NA	MeJP	NA	NA
+PJ004573	KKMH 	C23H42N8O5S	542.2999	NA	PeJP	NA	NA
+MJ079206	Sampsonione E 	C35H42O5	542.303224	NA	MeJP	NA	NA
+PJ004574	GPLKE 	C24H42N6O8	542.3064	NA	PeJP	NA	NA
+MJ079207	1,3-Dibutyl-5-[5-(1,3-dibutylhexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadienylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione 	C29H42N4O6	542.310435	NA	MeJP	NA	NA
+MJ079208	Belladonnine 	C34H42N2O4	542.314457	NA	MeJP	NA	NA
+C10845	Belladonnine	C34H42N2O4	542.3145	NA	KEGG	NA	NA
+PJ004575	GPTLR 	C23H42N8O7	542.3177	NA	PeJP	NA	NA
+PJ004576	PLKW 	C28H42N6O5	542.3217	NA	PeJP	NA	NA
+MJ079209	16,20,25-Trihydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079210	3,14-Dihydroxybufa-20,22-dienolide, 3-(Hydrogen suberoyl) 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079211	Antibiotic TAN 1515 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079212	Kazusamycin B 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079213	Milbemycin ?1; 5-Me ether 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079214	Milbemycin ?3 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079215	Petuniasterone C; 22-(Methylmalonyl) 	C32H46O7	542.324353	NA	MeJP	NA	NA
+MJ079216	Vannusal A; 26-O-De-Ac 	C32H46O7	542.324353	NA	MeJP	NA	NA
+PJ004577	SPVLK 	C25H46N6O7	542.3428	NA	PeJP	NA	NA
+PJ004578	AALLR 	C24H46N8O6	542.3541	NA	PeJP	NA	NA
+MJ079217	12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Acetoxybutanoyl) 	C33H50O6	542.360739	NA	MeJP	NA	NA
+MJ079218	22,23-Dihydroxy-3-oxo-12-ursen-30-oic acid; 22?-form, 22-Ac, Me ester 	C33H50O6	542.360739	NA	MeJP	NA	NA
+MJ079219	3,27-Dihydroxy-20(29)-lupen-28-oic acid; 3?-form, 27-Carboxylic acid, 3-Ac, 28-Me ester 	C33H50O6	542.360739	NA	MeJP	NA	NA
+MJ079220	3,6,16-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-Ac 	C33H50O6	542.360739	NA	MeJP	NA	NA
+MJ079221	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-Ac, 30-Me ester 	C33H50O6	542.360739	NA	MeJP	NA	NA
+MJ079222	3-Hydroxy-12-ursen-28-oic acid, Malonyl ester 	C33H50O6	542.360739	NA	MeJP	NA	NA
+MJ079223	Milbemycin ?2; 28-Deoxy 	C33H50O6	542.360739	NA	MeJP	NA	NA
+PJ004579	VLRR 	C23H46N10O5	542.3653	NA	PeJP	NA	NA
+PJ004580	GLLLK 	C26H50N6O6	542.3792	NA	PeJP	NA	NA
+MJ079224	2,3,22-Stictanetriol, 22-Ketone, 2,3-di-Ac 	C34H54O5	542.397124	NA	MeJP	NA	NA
+MJ079225	2,3-Dihydroxy-12-oleanen-28-oic acid, 2-Me ether, 3-Ac, Me ester 	C34H54O5	542.397124	NA	MeJP	NA	NA
+MJ079226	3,11-Dihydroxy-12-ursen-28-oic acid, 11-Me ether, 3-Ac, Me ester 	C34H54O5	542.397124	NA	MeJP	NA	NA
+MJ079227	2-Octaprenyl-6-hydroxyphenol 	C38H54O2	542.412381	NA	MeJP	NA	NA
+MJ079228	29-(2,3,4,5-Tetrahydroxypentyl)-6,11-hopadiene 	C35H58O4	542.43351	NA	MeJP	NA	NA
+MJ079229	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Carboxylic acid, (35?32)-lactone 	C35H58O4	542.43351	NA	MeJP	NA	NA
+MJ079230	4,11-Eudesmanediol; 4?-form, 4-Ether with 15-position of 8(17),13E-labdadien-19-oic acid 	C35H58O4	542.43351	NA	MeJP	NA	NA
+MJ079231	5,7-Dihydroxy-6-(1-hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran; 5,7-Di-Me, 1'-(2-phytenyl) ether 	C35H58O4	542.43351	NA	MeJP	NA	NA
+MJ079232	3-(4-Hydroxyphenyl)-2-propenoic acid, Heptacosyl ester 	C36H62O3	542.469895	NA	MeJP	NA	NA
+MJ079233	7,18-Trachylobanediol, 18-Hexadecanoyl 	C36H62O3	542.469895	NA	MeJP	NA	NA
+MJ079234	1,1',2,2',7,8-Hexahydrolycopene 	C40H62	542.485151	NA	MeJP	NA	NA
+MJ079235	1,2,7,7',8,8'-Hexahydrolycopene 	C40H62	542.485151	NA	MeJP	NA	NA
+MJ079236	1,2,7,8,11,12-Hexahydrolycopene 	C40H62	542.485151	NA	MeJP	NA	NA
+MJ079237	7,7',8,8',11,12-Hexahydrolycopene 	C40H62	542.485151	NA	MeJP	NA	NA
+MJ079238	Phytofluene 	C40H62	542.485152	NA	MeJP	NA	NA
+MetaCyc03822	phytofluene [2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene;7,8,11,12,7',8'-hexahydro-&psi;,&psi;-carotene;]	C40H62	542.485152	NA	metacyc	NA	NA
+HMDB02272	7,7',8,8',11,11',12,12'-Hexahydro-y,y-Carotene	C40H62	542.485168	NA	HMDB2010	NA	NA
+HMDB02871	Phytofluene	C40H62	542.485168	NA	HMDB2010	NA	NA
+HMDB02936	cis-7,7',8,8',11,12-Hexahydro-Carotene	C40H62	542.485168	NA	HMDB2010	NA	NA
+HMDB02871	Phytofluene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02871	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02936	cis-7,7',8,8',11,12-hexahydro-Carotene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02936	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02272	7,7',8,8',11,11',12,12'-hexahydro-y,y-Carotene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02272	HMDB	NA	NA
+HMDB02871	Phytofluene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02871	HMDB	NA	NA
+HMDB02936	cis-7,7',8,8',11,12-hexahydro-Carotene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02936	HMDB	NA	NA
+HMDB02871	Phytofluene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02871	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02936	cis-7,7',8,8',11,12-hexahydro-Carotene	C40H62	542.48517	http://www.hmdb.ca/metabolites/HMDB02936	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02272	7,7',8,8',11,11',12,12'-hexahydro-y,y-Carotene	C40H62	542.48517	HMDB02272	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02871	Phytofluene	C40H62	542.48517	HMDB02871	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02936	cis-7,7',8,8',11,12-hexahydro-Carotene	C40H62	542.48517	HMDB02936	PFEM_hmdb_metabocards_official	NA	NA
+C05414	Phytofluene	C40H62	542.4852	NA	KEGG	NA	NA
+MJ079239	3-(11,15,19-Dotriacontatrienyl)-5-methyl-2(5H)-furanone, 13,14-Dihydro 	C37H66O2	542.506281	NA	MeJP	NA	NA
+MJ079240	3-(11,15,19-Dotriacontatrienyl)-5-methyl-2(5H)-furanone, 21,22-Dihydro 	C37H66O2	542.506281	NA	MeJP	NA	NA
+MJ079241	9,16,23-Octatriacontatrien-3-one 	C38H70O	542.542666	NA	MeJP	NA	NA
+7384	celiac sprue gluten epitope found in hordein	QQPFPQQTI	542.7675	MH2+	Inhouse_peptide	NA	peptide
+7411	celiac sprue gluten epitope found in secalin	QQTQQPFPL	542.7675	MH2+	Inhouse_peptide	NA	peptide
+MJ079242	Dysidenin 	C17H23Cl6N3O2S	542.964213	NA	MeJP	NA	NA
+MetaCyc03823	NAD stem group []	C15H23N5O13P2	543.076759	NA	metacyc	NA	NA
+MJ079243	Cefempidone 	C22H21N7O6S2	543.099472	NA	MeJP	NA	NA
+C12319	dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose	C17H27N3O13P2	543.1019	NA	KEGG	NA	NA
+C12320	dTDP-L-4-oxovancosamine	C17H27N3O13P2	543.1019	NA	KEGG	NA	NA
+MJ079244	CMP-3-deoxy-D-manno-octulosonate 	C17H26N3O15P	543.110153	NA	MeJP	NA	NA
+MetaCyc03824	CMP-3-deoxy-D-manno-octulosonate [CMP-2-dehydro-3-deoxy-D-octonate;CMP-KDO;]	C17H26N3O15P1	543.110154	NA	metacyc	NA	NA
+C04121	CMP-3-deoxy-D-manno-octulosonate	C17H26N3O15P	543.1102	NA	KEGG	NA	NA
+PJ004581	SCCCE 	C17H29N5O9S3	543.1128	NA	PeJP	NA	NA
+PJ004582	GCCMM 	C18H33N5O6S4	543.1314	NA	PeJP	NA	NA
+MJ079245	Antibiotic A 2121; Antibiotic A 2121-1, 4A,12a-Bis-O-deglycosyl 	C26H25NO12	543.137675	NA	MeJP	NA	NA
+C18034	dTDP-D-forosamine	C18H31N3O12P2	543.1383	NA	KEGG	NA	NA
+PJ004583	GCCDF 	C21H29N5O8S2	543.1458	NA	PeJP	NA	NA
+PJ004584	STCCM 	C18H33N5O8S3	543.1491	NA	PeJP	NA	NA
+MJ079246	Lamellarin H; 7-Hydroxy, 7,8,9,12,21-penta-Me ether 	C30H25NO9	543.152931	NA	MeJP	NA	NA
+MJ079247	Lamellarin H; 7-Methoxy, 8,9,13,21-tetra-Me ether 	C30H25NO9	543.152931	NA	MeJP	NA	NA
+PJ004585	GSCDY 	C21H29N5O10S	543.1635	NA	PeJP	NA	NA
+MJ079248	Adriamycin 	C27H29NO11	543.17406	NA	MeJP	NA	NA
+MJ079249	Antibiotic D 788-10; Me ester 	C27H29NO11	543.17406	NA	MeJP	NA	NA
+MJ079250	Carbolbicin 	C27H29NO11	543.17406	NA	MeJP	NA	NA
+MJ079251	Carminomycin I; 13-Alcohol, N-formyl 	C27H29NO11	543.17406	NA	MeJP	NA	NA
+C01661	Adriamycin	C27H29NO11	543.1741	NA	KEGG	NA	NA
+C11230	Epirubicin	C27H29NO11	543.1741	NA	KEGG	NA	NA
+C12427	10-Carboxy-13-deoxycarminomycin	C27H29NO11	543.1741	NA	KEGG	NA	NA
+C11618	Puromycin dihydrochloride	C22H29N7O5	543.1764	NA	KEGG	NA	NA
+PJ004586	CQMY 	C22H33N5O7S2	543.1822	NA	PeJP	NA	NA
+PJ004587	GCNNH 	C19H29N9O8S	543.186	NA	PeJP	NA	NA
+MJ079252	Acrimarine A 	C31H29NO8	543.189316	NA	MeJP	NA	NA
+MJ079253	Acrimarine C 	C31H29NO8	543.189316	NA	MeJP	NA	NA
+PJ004588	GSDEH 	C20H29N7O11	543.1925	NA	PeJP	NA	NA
+PJ004589	CCRY 	C21H33N7O6S2	543.1934	NA	PeJP	NA	NA
+MJ079254	Phosphoramidon 	C23H34N3O10P	543.19818	NA	MeJP	NA	NA
+MJ079255	Talopeptin 	C23H34N3O10P	543.19818	NA	MeJP	NA	NA
+C00563	Phosphoramidon	C23H34N3O10P	543.1982	NA	KEGG	NA	NA
+PJ004590	GSSMY 	C22H33N5O9S	543.1999	NA	PeJP	NA	NA
+PJ004591	SDHW 	C24H29N7O8	543.2078	NA	PeJP	NA	NA
+MJ079256	Alldimycin B; 10-O-Deglycosyl 	C28H33NO10	543.210446	NA	MeJP	NA	NA
+MJ079257	Alldimycin B; 7-O-Deglycosyl 	C28H33NO10	543.210446	NA	MeJP	NA	NA
+MJ079258	Caeseorhodomycin 	C28H33NO10	543.210446	NA	MeJP	NA	NA
+MJ079259	Obelmycin G 	C28H33NO10	543.210446	NA	MeJP	NA	NA
+MJ079260	Rhodomycin B 	C28H33NO10	543.210446	NA	MeJP	NA	NA
+PJ004592	QEMH 	C21H33N7O8S	543.2112	NA	PeJP	NA	NA
+PJ004593	CQFF 	C26H33N5O6S	543.2152	NA	PeJP	NA	NA
+MJ079261	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; 2''-Me, N-Ac 	C21H37NO15	543.216319	NA	MeJP	NA	NA
+MetaCyc03825	trans-zeatin-O-glucoside-7-N-glucoside []	C22H33N5O11	543.217657	NA	metacyc	NA	NA
+PJ004594	SSSTY 	C22H33N5O11	543.2177	NA	PeJP	NA	NA
+PJ004595	CKMY 	C23H37N5O6S2	543.2185	NA	PeJP	NA	NA
+MJ079262	Morphocycline 	C27H33N3O9	543.221679	NA	MeJP	NA	NA
+PJ004596	CEHR 	C20H33N9O7S	543.2224	NA	PeJP	NA	NA
+MJ079263	Desalicetin; 2'-(4-Amino-2-hydroxybenzoyl) 	C24H37N3O9S	543.22505	NA	MeJP	NA	NA
+PJ004597	AMHW 	C25H33N7O5S	543.2264	NA	PeJP	NA	NA
+MetaCyc03826	partly acetylated chitosan []	C20H37N3O14	543.227553	NA	metacyc	NA	NA
+PJ004598	GTTEH 	C21H33N7O10	543.2289	NA	PeJP	NA	NA
+PJ004599	NHHH 	C22H29N11O6	543.2303	NA	PeJP	NA	NA
+7715	NA	NWGQFHGGW~	543.23195	MH2+	Inhouse_peptide	NA	peptide
+PJ004600	AQYY 	C26H33N5O8	543.2329	NA	PeJP	NA	NA
+PJ004601	APPEM 	C23H37N5O8S	543.2363	NA	PeJP	NA	NA
+PJ004602	TTHW 	C25H33N7O7	543.2442	NA	PeJP	NA	NA
+PJ004603	KEMH 	C22H37N7O7S	543.2475	NA	PeJP	NA	NA
+PJ004604	CKFF 	C27H37N5O5S	543.2516	NA	PeJP	NA	NA
+PJ004605	GPLEE 	C23H37N5O10	543.2541	NA	PeJP	NA	NA
+PJ004606	GPPHH 	C24H33N9O6	543.2554	NA	PeJP	NA	NA
+PJ004607	TMHR 	C21H37N9O6S	543.2588	NA	PeJP	NA	NA
+MJ079264	Antibiotic FR 901463 	C27H42ClNO8	543.259895	NA	MeJP	NA	NA
+PJ004608	SSTLH 	C22H37N7O9	543.2653	NA	PeJP	NA	NA
+PJ004609	PLEW 	C27H37N5O7	543.2693	NA	PeJP	NA	NA
+PJ004610	SPPLM 	C24H41N5O7S	543.2727	NA	PeJP	NA	NA
+MJ079265	Elziverine 	C32H37N3O5	543.273321	NA	MeJP	NA	NA
+PJ004611	GSPQR 	C21H37N9O8	543.2765	NA	PeJP	NA	NA
+PJ004612	PNKW 	C26H37N7O6	543.2805	NA	PeJP	NA	NA
+PJ004613	GGPKW 	C26H37N7O6	543.2806	NA	PeJP	NA	NA
+MJ079266	Delterine; 1,14-Di-O-de-Me, 14-benzoyl 	C30H41NO8	543.283217	NA	MeJP	NA	NA
+MJ079267	Gracinine 	C30H41NO8	543.283217	NA	MeJP	NA	NA
+MJ079268	Harringtonine; Homologue (n = 4), 5'-deoxy 	C30H41NO8	543.283217	NA	MeJP	NA	NA
+MJ079269	Antibiotic BA 17039A 	C24H41N5O9	543.290427	NA	MeJP	NA	NA
+PJ004614	SPVLE 	C24H41N5O9	543.2905	NA	PeJP	NA	NA
+PJ004615	GPDKK 	C23H41N7O8	543.3017	NA	PeJP	NA	NA
+PJ004616	APPLF 	C28H41N5O6	543.3057	NA	PeJP	NA	NA
+PJ004617	APLLM 	C25H45N5O6S	543.3091	NA	PeJP	NA	NA
+PJ004618	GSPKR 	C22H41N9O7	543.3129	NA	PeJP	NA	NA
+PJ004619	LKHF 	C27H41N7O5	543.3169	NA	PeJP	NA	NA
+PJ004620	VNRR 	C21H41N11O6	543.3242	NA	PeJP	NA	NA
+PJ004621	GLLLE 	C25H45N5O8	543.3268	NA	PeJP	NA	NA
+EUR665	Lyso PC 18:1 [M+Na]+	C26H52NO7P	543.330088	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR665	Lyso PC 18:1 [M+Na]+	C26H52NO7P	543.330088	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR665	Lyso PC 18:1 [M+Na]+	C26H52NO7P	543.330088	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR665	Lyso PC 18:1 [M+Na]+	C26H52NO7P	543.330088	masses lipides attendues	Inhousejuil11	NA	NA
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR575	LysoPC(20:4)	[M+H]+	543.332175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR575	LysoPC(20:4)	[M+H]+	543.332175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR575	LysoPC(20:4)	[M+H]+	543.332175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR575	LysoPC(20:4)	NA	543.332175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR575	LysoPC(20:4)	[M+H]+	543.332175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR575	LysoPC(20:4)	NA	543.332175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR679	Lyso PC 20:4 monoisotopic mass 	C28H50NO7P	543.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR679	Lyso PC 20:4 monoisotopic mass 	C28H50NO7P	543.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR679	Lyso PC 20:4 monoisotopic mass 	C28H50NO7P	543.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR679	Lyso PC 20:4 monoisotopic mass 	C28H50NO7P	543.332492	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10395	LysoPC(20:4(5Z,8Z,11Z,14Z))	C28H50NO7P	543.33252	NA	HMDB2010	NA	NA
+HMDB10396	LysoPC(20:4(8Z,11Z,14Z,17Z))	C28H50NO7P	543.33252	NA	HMDB2010	NA	NA
+PJ004622	GRRR 	C20H41N13O5	543.3354	NA	PeJP	NA	NA
+PJ004623	APTKK 	C24H45N7O7	543.3381	NA	PeJP	NA	NA
+PJ004624	LLLW 	C29H45N5O5	543.3421	NA	PeJP	NA	NA
+PJ004625	LQKR 	C23H45N9O6	543.3493	NA	PeJP	NA	NA
+MJ079270	Daphnimacropine; 16-Deoxy, 22-acetoxy, N-oxide 	C32H49NO6	543.355988	NA	MeJP	NA	NA
+MJ079271	Ergokonin B; 3-O-(2-Amino-2-methylpropanoyl) 	C32H49NO6	543.355988	NA	MeJP	NA	NA
+PJ004626	SVLLL 	C26H49N5O7	543.3632	NA	PeJP	NA	NA
+MJ079272	Beauverolide B 	C31H49N3O5	543.367221	NA	MeJP	NA	NA
+MJ079273	Isarolide B 	C31H49N3O5	543.367221	NA	MeJP	NA	NA
+PJ004627	GVLKK 	C25H49N7O6	543.3745	NA	PeJP	NA	NA
+MJ079274	Antibiotic SF 2748; Antibiotic SF 2748E 	C29H53NO8	543.377117	NA	MeJP	NA	NA
+PJ004628	LKKR 	C24H49N9O5	543.3857	NA	PeJP	NA	NA
+MJ079275	Squalamine; 24-Desulfo, 24-ketone, 25,26-didehydro 	C34H61N3O2	543.476378	NA	MeJP	NA	NA
+MJ079276	3,5-Diacyl-1,4-dihydro-4-nonylpyridines; 3-Decanoyl-5-dodecanoyl-1,4-dihydro-4-nonylpyridine 	C36H65NO2	543.50153	NA	MeJP	NA	NA
+MJ079277	2,2',3,3'-Tetrabromo-4,4',5,5'-tetrahydroxydiphenylmethane 	C13H8Br4O4	543.715609	NA	MeJP	NA	NA
+MJ079278	2,2',5,5'-Tetrabromo-3,3'-bi-1H-indole 	C16H8Br4N2	543.742098	NA	MeJP	NA	NA
+MJ079279	2,2',6,6'-Tetrabromo-3,3'-bi-1H-indole 	C16H8Br4N2	543.742098	NA	MeJP	NA	NA
+7813	ACE inhibitor from yellowfish sole	MIFPGAGGPEL	543.7612	MH2+	Inhouse_peptide	NA	peptide
+MJ079280	1-[2-Chloro-6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-?-D-ribofuranuronamide 	C18H18ClIN6O4	544.012274	NA	MeJP	NA	NA
+MJ079281	3',4',5,7,8-Pentahydroxyflavone; 8-O-?-D-Glucopyranoside, 3'-O-sulfate 	C21H20O15S	544.05229	NA	MeJP	NA	NA
+MJ079282	Isoquercitrin; 3''-O-Sulfate 	C21H20O15S	544.05229	NA	MeJP	NA	NA
+MJ079283	Isoquercitrin; O''-Sulfate 	C21H20O15S	544.05229	NA	MeJP	NA	NA
+FL3FFCGSS001	8-Hydroxyluteolin 8-glucoside-3'-sulfate	C21H20O15S	544.05229	63109-34-2	knapsack	NA	NA
+FL3FFCGSS003	Hypolaetin 7-sulfate-8-glucoside;8-Hydroxyluteolin 7-sulfate-8-glucoside;2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(sulfooxy)-4H-1-benzopyran-4-one	C21H20O15S	544.05229	215113-45-4	knapsack	NA	NA
+FL5FACGLS001	Quercetin 3-(3''-sulfatoglucoside)	C21H20O15S	544.05229	86203-13-6	knapsack	NA	NA
+FL5FACGSS005	Quercetin 3-glucoside-3'-sulfate;3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one	C21H20O15S	544.05229	754176-91-5	knapsack	NA	NA
+C11915	dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose	C17H26N2O14P2	544.0859	NA	KEGG	NA	NA
+C18035	dTDP-3-methyl-4-oxo-2,6-dideoxy-D-glucose	C17H26N2O14P2	544.0859	NA	KEGG	NA	NA
+MJ079284	dTDP-4-oxo-3-methyl-2,6-dideoxy-L-glucose 	C17H26N2O14P2	544.085926	NA	MeJP	NA	NA
+PJ004629	CCCCN 	C16H28N6O7S4	544.0903	NA	PeJP	NA	NA
+MJ079285	Viopurpurin 	C29H20O11	544.100561	NA	MeJP	NA	NA
+MJ079286	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 6''-(4-Hydroxybenzoyl) 	C26H24O13	544.12169	NA	MeJP	NA	NA
+MJ079287	Hybocarpone 	C26H24O13	544.12169	NA	MeJP	NA	NA
+MJ079288	Asystasioside E; 10-(4-Hydroxycinnamoyl)(E-) 	C24H29ClO12	544.134754	NA	MeJP	NA	NA
+MJ079289	Asystasioside E; 10-(4-Hydroxycinnamoyl)(Z-) 	C24H29ClO12	544.134754	NA	MeJP	NA	NA
+MJ079290	2,5-Dihydroxy-3,6-bis(4-hydroxyphenyl)benzoquinone; 2,5-Bis-O-(4S,5S-epoxy-2Z-hexenoyl) 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079291	3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079292	3,4',7,8-Tetrahydroxyflavan(3?4,4?5)-3,4',7,8-tetrahydroxyflavan 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079293	6,13-Bis(3,4-dihydroxyphenyl)-6a,7a,13a,14a-tetrahydro-6H,13H-[1,4]-dioxino[2,3-c:5,6-c']bis[1]benzopyran-3,10-diol 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079294	Cephalochromin; 3,3'-Di-Me, 2,3-didehydro 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079295	Flavoskyrin 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079296	Listvenol 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079297	Mahuannin C 	C30H24O10	544.136946	NA	MeJP	NA	NA
+MJ079298	1,5-Di-O-caffeoylquinic acid, 3',3''-Di-Me ether 	C27H28O12	544.158076	NA	MeJP	NA	NA
+MJ079299	3,4-Di-O-caffeoylquinic acid; 3''-Me ether, Me ester 	C27H28O12	544.158076	NA	MeJP	NA	NA
+MJ079300	Aranciamycin 	C27H28O12	544.158076	NA	MeJP	NA	NA
+MJ079301	Homaloside D 	C27H28O12	544.158076	NA	MeJP	NA	NA
+MJ079302	Poliothrysin; 6''-Benzoyl 	C27H28O12	544.158076	NA	MeJP	NA	NA
+MJ079303	Steffimycin; 9-Demethoxy 	C27H28O12	544.158076	NA	MeJP	NA	NA
+C12384	Premithramycin A1	C27H28O12	544.1581	NA	KEGG	NA	NA
+HMDB10356	Estriol 3-sulfate 16-glucuronide	C24H32O12S	544.161438	NA	HMDB2010	NA	NA
+PJ004630	CEMY 	C22H32N4O8S2	544.1662	NA	PeJP	NA	NA
+PJ004631	GCNDH 	C19H28N8O9S	544.17	NA	PeJP	NA	NA
+MJ079304	Isosulfan Blue 	C27H32N2O6S2	544.170178	NA	MeJP	NA	NA
+MJ079305	Sulphan blue 	C27H32N2O6S2	544.170178	NA	MeJP	NA	NA
+MJ079306	15-Chloro-1,4-epoxy-5,8,9-trihydroxy-11(13)-germacren-12,6-olid-14-oic acid, 8-(2-Hydroxymethyl-2-butenoyl), 9-(2-methylpropanoyl), Me ester 	C25H33ClO11	544.171139	NA	MeJP	NA	NA
+MJ079307	Verbenachalcone 	C31H28O9	544.173332	NA	MeJP	NA	NA
+MJ079308	Prednisolone; 21-(3-Sulfobenzoate) 	C28H32O9S	544.176703	NA	MeJP	NA	NA
+MJ079309	2-Butyl-4-(methylthio)-1-[[2'-[[[(propylamino)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid 	C26H32N4O5S2	544.181411	NA	MeJP	NA	NA
+MJ079310	Octotiamine 	C23H36N4O5S3	544.184782	NA	MeJP	NA	NA
+MJ079311	Mutactimycin A 	C28H32O11	544.194461	NA	MeJP	NA	NA
+MJ079312	Physalin D 	C28H32O11	544.194461	NA	MeJP	NA	NA
+MJ079313	Physalin E 	C28H32O11	544.194461	NA	MeJP	NA	NA
+PJ004632	EEMH 	C21H32N6O9S	544.1952	NA	PeJP	NA	NA
+PJ004633	PCYY 	C26H32N4O7S	544.1992	NA	PeJP	NA	NA
+PJ004634	TMMY 	C23H36N4O7S2	544.2026	NA	PeJP	NA	NA
+MJ079314	Cadambine 	C27H32N2O10	544.205695	NA	MeJP	NA	NA
+MJ079315	Palinine 	C27H32N2O10	544.205695	NA	MeJP	NA	NA
+MJ079316	Strictosidine; 5-Oxo 	C27H32N2O10	544.205695	NA	MeJP	NA	NA
+PJ004635	GSNMH 	C20H32N8O8S	544.2064	NA	PeJP	NA	NA
+MJ079317	19-Chloro-7,8:17,18-diepoxy-10(17),13-xenicadiene-1,6,11,12,18-pentol; 11,12,18-Tri-Ac 	C26H37ClO10	544.207525	NA	MeJP	NA	NA
+MJ079318	Karwinskione; 10'-Hydroxy 	C32H32O8	544.209718	NA	MeJP	NA	NA
+MJ079319	Shikometabolin E 	C32H32O8	544.209718	NA	MeJP	NA	NA
+MJ079320	Toddasin 	C32H32O8	544.209718	NA	MeJP	NA	NA
+MJ079321	Fluperamide 	C30H32ClF3N2O2	544.21044	NA	MeJP	NA	NA
+PJ004636	GPNEE 	C21H32N6O11	544.2129	NA	PeJP	NA	NA
+PJ004637	DHHH 	C22H28N10O7	544.2143	NA	PeJP	NA	NA
+PJ004638	AEYY 	C26H32N4O9	544.2169	NA	PeJP	NA	NA
+MJ079322	Aestivophoenin A 	C31H32N2O7	544.220951	NA	MeJP	NA	NA
+MJ079323	Lanciferine 	C31H32N2O7	544.220951	NA	MeJP	NA	NA
+PJ004639	SSSQH 	C20H32N8O10	544.2242	NA	PeJP	NA	NA
+MJ079324	2-[3-[3-[(5-Ethyl-4'-fluoro-2-hydroxy[1,1'-biphenyl]-4-yl)oxy]propoxy]-2-propylphenoxy]benzoic acid 	C33H33FO6	544.226116	NA	MeJP	NA	NA
+PJ004640	PNEW 	C25H32N6O8	544.2282	NA	PeJP	NA	NA
+C11700	10-Deacetylbaccatin III	C29H36O10	544.2308	NA	KEGG	NA	NA
+MJ079325	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4-Ac 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079326	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 13-Ketone, 2-benzoyl, 4-Ac 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079327	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4-Ac 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079328	Baccharinoid B13; 13'-Epimer, 8-Ketone 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079329	Cabralin 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079330	Cedrodorin; 6-Ac 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079331	Detigloylswietenine; 8?,30?-Epoxide, 3-Ac 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079332	Elaeodendroside A 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079333	Elaeodendroside D; 11-Oxo, 12?-hydroxy 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079334	Elaeodendroside N 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079335	Mytoxin A 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079336	Roridin J; 9?,10?-Epoxide 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079337	Satratoxin G 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079338	Swietenolide; 2-Hydroxy, 3-Ac 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079339	Vertisporin 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MJ079340	Xylocarpin; 2-Hydroxy 	C29H36O10	544.230847	NA	MeJP	NA	NA
+MetaCyc03827	10-deacetylbaccatin III []	C29H36O10	544.230847	NA	metacyc	NA	NA
+PJ004641	SPPNM 	C22H36N6O8S	544.2316	NA	PeJP	NA	NA
+PJ004642	CLFY 	C27H36N4O6S	544.2356	NA	PeJP	NA	NA
+PJ004643	NQHF 	C24H32N8O7	544.2394	NA	PeJP	NA	NA
+MJ079341	Strictosidine; 3-Epimer, N4-Me 	C28H36N2O9	544.24208	NA	MeJP	NA	NA
+MJ079342	Strictosidine; N4-Me 	C28H36N2O9	544.24208	NA	MeJP	NA	NA
+PJ004644	GTCKH 	C21H36N8O7S	544.2428	NA	PeJP	NA	NA
+PJ004645	GPWW 	C29H32N6O5	544.2434	NA	PeJP	NA	NA
+MJ079343	4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 1,8-Diangeloyl, 2-Ac 	C27H41ClO9	544.24391	NA	MeJP	NA	NA
+C10085	Morellin	C33H36O7	544.2461	NA	KEGG	NA	NA
+MJ079344	Gedunin; O-De-Ac, O-benzoyl 	C33H36O7	544.246103	NA	MeJP	NA	NA
+MJ079345	Morellin 	C33H36O7	544.246103	NA	MeJP	NA	NA
+PJ004646	GPDKE 	C22H36N6O10	544.2493	NA	PeJP	NA	NA
+MJ079346	2,3,12-Calamenenetriol; 11-Epimer, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H40O12	544.251976	NA	MeJP	NA	NA
+MJ079347	2,3,12-Calamenenetriol; 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H40O12	544.251976	NA	MeJP	NA	NA
+MJ079348	7,20-Epoxy-16-kaurene-1,3,6,7,15,19-hexol, 19-O-?-D-Glucopyranoside 	C26H40O12	544.251976	NA	MeJP	NA	NA
+MJ079349	9,11,16,17-Tetrahydroxy-15-oxo-19-kauranoic acid, ?-D-Glucopyranosyl ester 	C26H40O12	544.251976	NA	MeJP	NA	NA
+MJ079350	Cinncassiol A; 19-O-?-D-Glucopyranoside 	C26H40O12	544.251976	NA	MeJP	NA	NA
+MJ079351	Penstriatoside; 8''-Deacyl 	C26H40O12	544.251976	NA	MeJP	NA	NA
+PJ004647	SLYY 	C27H36N4O8	544.2533	NA	PeJP	NA	NA
+MJ079352	Disidein; 6'-Bromo 	C31H45BrO3	544.255207	NA	MeJP	NA	NA
+7313	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQTF	544.2565	MH2+	Inhouse_peptide	NA	peptide
+PJ004648	SSSKH 	C21H36N8O9	544.2605	NA	PeJP	NA	NA
+MJ079353	Streptothricin; Streptothricin F, N?-Ac 	C21H36N8O9	544.260524	NA	MeJP	NA	NA
+PJ004649	GSPER 	C21H36N8O9	544.2606	NA	PeJP	NA	NA
+PJ004650	PDKW 	C26H36N6O7	544.2646	NA	PeJP	NA	NA
+MJ079354	1,10:4,5-Diepoxy-3,6,8-trihydroxy-11-germacren-9-one, Triangeloyl 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079355	Acnistin E; 7?-Acetoxy 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079356	Affinoside C; 16,17-Didehydro 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079357	Citreohybridone D; 23-Carboxylic acid 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079358	Khivorin; 3-De-Ac 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079359	Sendandal 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079360	Withajardin A; 5?,6?-Epoxide, 4-Ac 	C30H40O9	544.267232	NA	MeJP	NA	NA
+MJ079361	Withaminimin; 16?,17?-Epoxide 	C30H40O9	544.267232	NA	MeJP	NA	NA
+PJ004651	GPLQM 	C23H40N6O7S	544.2679	NA	PeJP	NA	NA
+PJ004652	GGAPLM 	C23H40N6O7S	544.268	NA	PeJP	NA	NA
+PJ004653	NQQR 	C20H36N10O8	544.2718	NA	PeJP	NA	NA
+MJ079362	Difenoxin; 2-Phenoxyethyl ester 	C36H36N2O3	544.272593	NA	MeJP	NA	NA
+7572	ACE inhibitor from myosin heavy chain	ITTNP	544.2729	antioxidative	Inhouse_peptide	NA	peptide
+7	Myosin	ITTNP	544.275	celiac toxic	Inhouse_peptide	NA	peptide
+PJ004654	SPRW 	C25H36N8O6	544.2758	NA	PeJP	NA	NA
+MJ079363	Macbecin I; O11-De-Me 	C29H40N2O8	544.278466	NA	MeJP	NA	NA
+MJ079364	Macbecin I; O12-De-Me 	C29H40N2O8	544.278466	NA	MeJP	NA	NA
+MJ079365	Macbecin I; O15-De-Me 	C29H40N2O8	544.278466	NA	MeJP	NA	NA
+PJ004655	AAPMR 	C22H40N8O6S	544.2792	NA	PeJP	NA	NA
+MJ079366	Tryptophyllin L 3.2; 4-Amide 	C30H36N6O4	544.279803	NA	MeJP	NA	NA
+PJ004656	APTKE 	C23H40N6O9	544.2857	NA	PeJP	NA	NA
+HMDB05821	beta-Cortol	C27H44O11	544.28833	http://www.hmdb.ca/metabolites/HMDB05821	HMDB	NA	NA
+HMDB05821	beta-Cortol	C27H44O11	544.28833	HMDB05821	PFEM_hmdb_metabocards_official	NA	NA
+MJ079367	Difficol; O-Phosphate 	C31H45O6P	544.295375	NA	MeJP	NA	NA
+PJ004657	LQER 	C22H40N8O8	544.2969	NA	PeJP	NA	NA
+PJ004658	VLQW 	C27H40N6O6	544.301	NA	PeJP	NA	NA
+MJ079368	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-(4-O-Methyl-?-L-rhamnopyranoside) 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079369	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11,12-Ditigloyl 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079370	Cleoamblynol A 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079371	Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079372	Implexin 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079373	Milbemycin ?1; 26-Hydroxy 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079374	Nymania 2 	C31H44O8	544.303618	NA	MeJP	NA	NA
+MJ079375	Petuniolide A 	C31H44O8	544.303618	NA	MeJP	NA	NA
+PJ004659	GPLKM 	C24H44N6O6S	544.3043	NA	PeJP	NA	NA
+MJ079376	Ergost-22-ene-3,5,6,15,26-pentol, 26-Sulfate 	C28H48O8S	544.306989	NA	MeJP	NA	NA
+MJ079377	Ergost-22-ene-3,5,6,15,28-pentol, 28-Sulfate 	C28H48O8S	544.306989	NA	MeJP	NA	NA
+PJ004660	VDRR 	C21H40N10O7	544.3082	NA	PeJP	NA	NA
+PJ004661	ALRW 	C26H40N8O5	544.3122	NA	PeJP	NA	NA
+FL1C1CNI0002	5,3'-Digeranyl-3,4,2',4'-tetrahydroxychalcone;Prorepensin	C35H44O5	544.31887	441772-63-0	knapsack	NA	NA
+PJ004662	GVLKE 	C24H44N6O8	544.3221	NA	PeJP	NA	NA
+MJ079378	Glidobactin PF1 	C29H44N4O6	544.326085	NA	MeJP	NA	NA
+PJ004663	LKER 	C23H44N8O7	544.3333	NA	PeJP	NA	NA
+PJ004664	VLKW 	C28H44N6O5	544.3373	NA	PeJP	NA	NA
+MJ079379	24,25-Epoxy-11,12,23-trihydroxy-13(17)-protostene-3,16-dione, 23-Ac 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079380	3,19-Dihydroxy-1-oxo-12-ursene-23,28-dioic acid, Di-Me ester 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079381	7,21,23,25-Tetrahydroxy-1,14-apotirucalladiene-3,24-dione, 7-Ac 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079382	Alismalactone; Ac 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079383	Hovenidulcigenin A 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079384	Ilikonapyrone 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079385	Milbemycin ?1 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079386	Milbemycin ?2; 5-O-De-Me 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079387	Onchitriol I 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079388	Petuniasterone B; 22-Ac 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079389	Petuniasterone S 	C32H48O7	544.340003	NA	MeJP	NA	NA
+MJ079390	Sapelin C; 7-O-Ac, 24?-hydroxy 	C32H48O7	544.340003	NA	MeJP	NA	NA
+PJ004665	TLRR 	C22H44N10O6	544.3446	NA	PeJP	NA	NA
+MJ079391	Hexahydro-1,4-bis[4-(3,4,5-trimethoxyphenyl)butyl]-1H-1,4-diazepine 	C31H48N2O6	544.351237	NA	MeJP	NA	NA
+PJ004666	ATLLK 	C25H48N6O7	544.3585	NA	PeJP	NA	NA
+MJ079392	Buxaltine H 	C35H48N2O3	544.366493	NA	MeJP	NA	NA
+PJ004667	AAKKK 	C24H48N8O6	544.3697	NA	PeJP	NA	NA
+MJ079393	Leprotene; 3-Hydroxy 	C40H48O	544.370516	NA	MeJP	NA	NA
+MJ079394	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 12-Ketone, 16-O-(3S-hydroxy-4-methylpentanoyl) 	C33H52O6	544.376389	NA	MeJP	NA	NA
+MJ079395	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2-Ac, Me ester 	C33H52O6	544.376389	NA	MeJP	NA	NA
+MJ079396	3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 7-Me ether, 3-Ac 	C33H52O6	544.376389	NA	MeJP	NA	NA
+MJ079397	3,7,22-Trihydroxylanosta-8,24-dien-26-oic acid, 22-Ac, 7-Me ether 	C33H52O6	544.376389	NA	MeJP	NA	NA
+MJ079398	Alisol B; 23-Ac, 16?-methoxy 	C33H52O6	544.376389	NA	MeJP	NA	NA
+MJ079399	Incarvine A; N-Oxide 	C32H52N2O5	544.387622	NA	MeJP	NA	NA
+MJ079400	7,9(11)-Multifloradiene-3,29-diol; 3?-form, 3-O-Benzoyl 	C37H52O3	544.391645	NA	MeJP	NA	NA
+MJ079401	2,3,22-Stictanetriol, 2,3-Di-Ac 	C34H56O5	544.412774	NA	MeJP	NA	NA
+MJ079402	20,24-Epoxydammarane-3,25-diol, Di-Ac 	C34H56O5	544.412774	NA	MeJP	NA	NA
+MJ079403	6,16,22-Hopanetriol, 6,16-Di-Ac 	C34H56O5	544.412774	NA	MeJP	NA	NA
+MJ079404	29-(2,3,4,5-Tetrahydroxypentyl)-6-hopene 	C35H60O4	544.44916	NA	MeJP	NA	NA
+MJ079405	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Hexacosyl ester 	C35H60O4	544.44916	NA	MeJP	NA	NA
+MJ079406	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Pentacosyl ester 	C35H60O4	544.44916	NA	MeJP	NA	NA
+MJ079407	2-(4-Hydroxyphenyl)ethanol; 1-O-Octacosanoyl 	C36H64O3	544.485545	NA	MeJP	NA	NA
+HMDB02181	7,7',8,8',11,12,-octahydro-y,y-Carotene	C40H64	544.50079	http://www.hmdb.ca/metabolites/HMDB02181	HMDB	NA	NA
+HMDB02181	7,7',8,8',11,12,-octahydro-y,y-Carotene	C40H64	544.50079	HMDB02181	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02181	Phytoene	C40H64	544.500793	NA	HMDB2010	NA	NA
+C05413	Phytoene	C40H64	544.5008	NA	KEGG	NA	NA
+C05421	15-cis-Phytoene	C40H64	544.5008	NA	KEGG	NA	NA
+MJ079408	Phytoene 	C40H64	544.500802	NA	MeJP	NA	NA
+MJ079409	1,2,7,7',8,8',11,12-Octahydrolycopene 	C40H64	544.500802	NA	MeJP	NA	NA
+MJ079410	7,7',8,8',11,11',12,12'-Octahydrolycopene 	C40H64	544.500802	NA	MeJP	NA	NA
+MetaCyc03828	phytoene [7,7',8,8',11,11',12,12'-octahydro-&psi;,&psi;-caro;]	C40H64	544.500802	540-04-5	metacyc	NA	NA
+MJ079411	16,23-Octatriacontadien-3-one 	C38H72O	544.558316	NA	MeJP	NA	NA
+3108	adrenocorticotropin hormone fr,:4-11	MEHFRWGK	544.7517	MH2+	Inhouse_peptide	NA	peptide
+8243	Antioxidative peptide	LVEKGDVAFI	544.79645	MH2+	Inhouse_peptide	NA	peptide
+C13143	Ceftiofur sodium	C19H16N5O7S3	545.011	NA	KEGG	NA	NA
+PJ004668	CCCCD 	C16H27N5O8S4	545.0743	NA	PeJP	NA	NA
+MJ079412	Dragmacidin F 	C25H20BrN7O3	545.0811	NA	MeJP	NA	NA
+MJ079413	Plastatin 	C28H19NO11	545.09581	NA	MeJP	NA	NA
+MJ079414	Technetium siboroxime 	C16H29BClN6O6Tc	545.100231	NA	MeJP	NA	NA
+PJ004669	SCCCM 	C17H31N5O7S4	545.1107	NA	PeJP	NA	NA
+C12321	dTDP-L-epivancosamine	C17H29N3O13P2	545.1176	NA	KEGG	NA	NA
+C12322	dTDP-L-vancosamine	C17H29N3O13P2	545.1176	NA	KEGG	NA	NA
+MJ079415	Dynemicin P; 5-Me ether, 3'-hydroxy 	C29H23NO10	545.132195	NA	MeJP	NA	NA
+MJ079416	Fibracillin 	C26H28ClN3O6S	545.138734	NA	MeJP	NA	NA
+PJ004670	ACCCF 	C21H31N5O6S3	545.1437	NA	PeJP	NA	NA
+MJ079417	2-(Phenylthio)ethyl 7,8,9,10-tetrahydro-2-(2-hydroxyethoxy)-6a,10a-epoxy-6,10-[3]hexene[1,5]diynophenanthridine-5(6H)-carboxylate; S,S-Dioxide 	C30H27NO7S	545.150822	NA	MeJP	NA	NA
+PJ004671	GCDDH 	C19H27N7O10S	545.154	NA	PeJP	NA	NA
+MJ079418	3-[3-(Aminoiminomethyl)phenyl]-N-[2'-(aminosulfonyl)[1,1'-biphenyl]-4-yl]-4,5-dihydro-5-(1H-tetrazol-1-ylmethyl)-5-isoxazolecarboxamide 	C25H23N9O4S	545.15937	NA	MeJP	NA	NA
+MJ079419	2-Amino-6-(hydroxymethyl)-4(1H)-pteridinone; O-[4-O-Methyl-?-D-glucuronopyranosyl-(1?6)-?-D-galactopyranoside] 	C20H27N5O13	545.160535	NA	MeJP	NA	NA
+PJ004672	GTCCY 	C21H31N5O8S2	545.1614	NA	PeJP	NA	NA
+MJ079420	Lamellarin H; 7-Hydroxy, 5,6-dihydro, 7,8,9,12,21-penta-Me ether 	C30H27NO9	545.168581	NA	MeJP	NA	NA
+PJ004673	SPCCH 	C20H31N7O7S2	545.1727	NA	PeJP	NA	NA
+PJ004674	SSSCY 	C21H31N5O10S	545.1792	NA	PeJP	NA	NA
+MJ079421	Adriamycin; 13S-Alcohol 	C27H31NO11	545.18971	NA	MeJP	NA	NA
+MJ079422	Antibiotic GPI 	C27H31NO11	545.18971	NA	MeJP	NA	NA
+PJ004675	GSDMH 	C20H31N7O9S	545.1904	NA	PeJP	NA	NA
+PJ004676	CNFY 	C25H31N5O7S	545.1944	NA	PeJP	NA	NA
+HMDB06592	Lacto-N-triaose	C20H35NO16	545.195557	NA	HMDB2010	NA	NA
+HMDB06592	Lacto-N-triaose	C20H35NO16	545.19556	http://www.hmdb.ca/metabolites/HMDB06592	HMDB	NA	NA
+HMDB06592	Lacto-N-triaose	C20H35NO16	545.19556	HMDB06592	PFEM_hmdb_metabocards_official	NA	NA
+MJ079423	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose; N-Ac 	C20H35NO16	545.195584	NA	MeJP	NA	NA
+MJ079424	?-D-Galactopyranosyl-(1?3)-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-D-galactose; 2'-N-Ac 	C20H35NO16	545.195584	NA	MeJP	NA	NA
+MJ079425	?-D-Galactopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-2-amino-2-deoxy-D-mannose; ?-Pyranose-form, N-Ac 	C20H35NO16	545.195584	NA	MeJP	NA	NA
+MJ079426	?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose; ?-Pyranose-form, N-Ac 	C20H35NO16	545.195584	NA	MeJP	NA	NA
+MetaCyc03829	&alpha;-D-galactosyl-(1,3)-&beta;-D-galactosyl-(1,4)-N-acetyl-D-glucosamine []	C20H35N1O16	545.195584	NA	metacyc	NA	NA
+C04428	alpha-D-Galactosyl-N-acetyllactosamine	C20H35NO16	545.1956	NA	KEGG	NA	NA
+C04429	beta-D-Glucosylpoly(ribitol phosphate)	C20H35NO16	545.1956	NA	KEGG	NA	NA
+C04847	alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine	C20H35NO16	545.1956	NA	KEGG	NA	NA
+C04848	Variant-surface-glycoprotein 1,2-dimyristyl-sn-phosphatidylinositol	C89H159N3O53PR	545.1956	NA	KEGG	NA	NA
+PJ004677	GPDEE 	C21H31N5O12	545.1969	NA	PeJP	NA	NA
+PJ004678	APDDE 	C21H31N5O12	545.197	NA	PeJP	NA	NA
+PJ004679	TCHW 	C24H31N7O6S	545.2057	NA	PeJP	NA	NA
+PJ004680	SSSEH 	C20H31N7O11	545.2082	NA	PeJP	NA	NA
+PJ004681	QMMH 	C21H35N7O6S2	545.209	NA	PeJP	NA	NA
+PJ004682	GAMMH 	C21H35N7O6S2	545.2091	NA	PeJP	NA	NA
+PJ004683	PDEW 	C25H31N5O9	545.2122	NA	PeJP	NA	NA
+PJ004684	SPPDM 	C22H35N5O9S	545.2156	NA	PeJP	NA	NA
+PJ004685	GNNNQ 	C19H31N9O10	545.2194	NA	PeJP	NA	NA
+MJ079427	Denticin B; N2-Me 	C27H35N3O7S	545.219571	NA	MeJP	NA	NA
+PJ004686	CMHR 	C20H35N9O5S2	545.2203	NA	PeJP	NA	NA
+PJ004687	NEHF 	C24H31N7O8	545.2234	NA	PeJP	NA	NA
+PJ004688	GTTMH 	C21H35N7O8S	545.2268	NA	PeJP	NA	NA
+PJ004689	APTEE 	C22H35N5O11	545.2333	NA	PeJP	NA	NA
+MetaCyc03830	dihydrozeatin-9-N-glucoside-O-glucoside []	C22H35N5O11	545.233307	NA	metacyc	NA	NA
+HMDB12212	Dihydrozeatin-9-N-glucoside-O-glucoside	C22H35N5O11	545.233337	NA	HMDB2010	NA	NA
+PJ004690	APPMM 	C23H39N5O6S2	545.2342	NA	PeJP	NA	NA
+PJ004691	GPCNR 	C20H35N9O7S	545.238	NA	PeJP	NA	NA
+PJ004692	GGGPCR 	C20H35N9O7S	545.2381	NA	PeJP	NA	NA
+PJ004693	GHFW 	C28H31N7O5	545.2387	NA	PeJP	NA	NA
+PJ004694	STTTH 	C21H35N7O10	545.2446	NA	PeJP	NA	NA
+PJ004695	KMMH 	C22H39N7O5S2	545.2454	NA	PeJP	NA	NA
+MJ079428	Asterin A; Me ester 	C26H35N5O8	545.248563	NA	MeJP	NA	NA
+MJ079429	Asterinin A; Me ester 	C26H35N5O8	545.248563	NA	MeJP	NA	NA
+MJ079430	Asterinin C 	C26H35N5O8	545.248563	NA	MeJP	NA	NA
+PJ004696	GPPEF 	C26H35N5O8	545.2486	NA	PeJP	NA	NA
+PJ004697	GPLEM 	C23H39N5O8S	545.252	NA	PeJP	NA	NA
+MJ079431	Anthraserpine; 11-Demethoxy 	C31H35N3O6	545.252585	NA	MeJP	NA	NA
+PJ004698	NQER 	C20H35N9O9	545.2558	NA	PeJP	NA	NA
+PJ004699	VNQW 	C25H35N7O7	545.2598	NA	PeJP	NA	NA
+MJ079432	Cephalezomine A; 4''-Deoxy 	C29H39NO9	545.262481	NA	MeJP	NA	NA
+MJ079433	Harringtonine; Homologue (n = 3) 	C29H39NO9	545.262481	NA	MeJP	NA	NA
+MJ079434	Hetisan-2,3,9,11,13,14-hexol, 2-(2-Methylbutanoyl), 3,13-di-Ac 	C29H39NO9	545.262481	NA	MeJP	NA	NA
+PJ004700	GPNKM 	C22H39N7O7S	545.2632	NA	PeJP	NA	NA
+PJ004701	PPFW 	C30H35N5O5	545.2638	NA	PeJP	NA	NA
+HMDB02640	N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO9S	545.265869	NA	HMDB2010	NA	NA
+HMDB02644	N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO9S	545.265869	NA	HMDB2010	NA	NA
+HMDB02640	N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO9S	545.26587	http://www.hmdb.ca/metabolites/HMDB02640	HMDB	NA	NA
+HMDB02644	N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO9S	545.26587	http://www.hmdb.ca/metabolites/HMDB02644	HMDB	NA	NA
+HMDB02640	N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO9S	545.26587	HMDB02640	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02644	N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine	C26H43NO9S	545.26587	HMDB02644	PFEM_hmdb_metabocards_official	NA	NA
+PJ004702	PLMW 	C27H39N5O5S	545.2672	NA	PeJP	NA	NA
+PJ004703	GVLEE 	C23H39N5O10	545.2697	NA	PeJP	NA	NA
+PJ004704	ANRW 	C24H35N9O6	545.271	NA	PeJP	NA	NA
+PJ004705	GQRW 	C24H35N9O6	545.2711	NA	PeJP	NA	NA
+3371	ACE inhibitor from b-CN	AVPYP	545.272	celiac toxic	Inhouse_peptide	NA	peptide
+EUR887	Lyso PE 20:5 [M+FA-H]-	C25H42NO7P	545.274772	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR887	Lyso PE 20:5 [M+FA-H]-	C25H42NO7P	545.274772	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR887	Lyso PE 20:5 [M+FA-H]-	C25H42NO7P	545.274772	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR887	Lyso PE 20:5 [M+FA-H]-	C25H42NO7P	545.274772	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004706	SSPQK 	C22H39N7O9	545.2809	NA	PeJP	NA	NA
+PJ004707	LEER 	C22H39N7O9	545.281	NA	PeJP	NA	NA
+PJ004708	PHHR 	C23H35N11O5	545.2823	NA	PeJP	NA	NA
+PJ004709	VLEW 	C27H39N5O7	545.285	NA	PeJP	NA	NA
+7390	celiac sprue gluten epitope found in hordein	QQPQQPLPR	545.2865	MH2+	Inhouse_peptide	NA	peptide
+PJ004710	SPVLM 	C24H43N5O7S	545.2883	NA	PeJP	NA	NA
+MJ079435	Gentiacraline 	C32H39N3O5	545.288971	NA	MeJP	NA	NA
+PJ004711	NKER 	C21H39N9O8	545.2922	NA	PeJP	NA	NA
+PJ004712	VNKW 	C26H39N7O6	545.2962	NA	PeJP	NA	NA
+PJ004713	APCKK 	C23H43N7O6S	545.2996	NA	PeJP	NA	NA
+C09996	Americine	C31H39N5O4	545.3002	NA	KEGG	NA	NA
+MJ079436	Americine 	C31H39N5O4	545.300204	NA	MeJP	NA	NA
+MJ079437	Ergocornam 	C31H39N5O4	545.300204	NA	MeJP	NA	NA
+PJ004714	SQRR 	C20H39N11O7	545.3034	NA	PeJP	NA	NA
+PJ004715	ATLLE 	C24H43N5O9	545.3061	NA	PeJP	NA	NA
+PJ004716	GKRW 	C25H39N9O5	545.3074	NA	PeJP	NA	NA
+MJ079438	Tridecanochelerythrine 	C34H43NO5	545.314123	NA	MeJP	NA	NA
+PJ004717	AAKKE 	C23H43N7O8	545.3173	NA	PeJP	NA	NA
+PJ004718	GPLLF 	C28H43N5O6	545.3214	NA	PeJP	NA	NA
+PJ004719	GLLLM 	C25H47N5O6S	545.3247	NA	PeJP	NA	NA
+PJ004720	DKKR 	C22H43N9O7	545.3286	NA	PeJP	NA	NA
+PJ004721	SKRR 	C21H43N11O6	545.3398	NA	PeJP	NA	NA
+PJ004722	STLLL 	C25H47N5O8	545.3425	NA	PeJP	NA	NA
+EUR670	Lyso PC 18:0 [M+Na]+	C26H54NO7P	545.345738	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR670	Lyso PC 18:0 [M+Na]+	C26H54NO7P	545.345738	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR670	Lyso PC 18:0 [M+Na]+	C26H54NO7P	545.345738	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR670	Lyso PC 18:0 [M+Na]+	C26H54NO7P	545.345738	masses lipides attendues	Inhousejuil11	NA	NA
+EUR759	Lyso PC 20:3 monoisotopic mass 	C28H52NO7P	545.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR759	Lyso PC 20:3 monoisotopic mass 	C28H52NO7P	545.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR759	Lyso PC 20:3 monoisotopic mass 	C28H52NO7P	545.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR759	Lyso PC 20:3 monoisotopic mass 	C28H52NO7P	545.348142	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10393	LysoPC(20:3(5Z,8Z,11Z))	C28H52NO7P	545.348145	NA	HMDB2010	NA	NA
+HMDB10394	LysoPC(20:3(8Z,11Z,14Z))	C28H52NO7P	545.348145	NA	HMDB2010	NA	NA
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR583	LysoPC(20:3)	[M+H]+	545.348175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR583	LysoPC(20:3)	[M+H]+	545.348175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR583	LysoPC(20:3)	[M+H]+	545.348175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR583	LysoPC(20:3)	NA	545.348175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR583	LysoPC(20:3)	[M+H]+	545.348175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR583	LysoPC(20:3)	NA	545.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+PJ004723	GTLKK 	C24H47N7O7	545.3537	NA	PeJP	NA	NA
+MJ079439	Stacopin P1 	C29H47N5O5	545.357719	NA	MeJP	NA	NA
+MJ079440	Veracintine; 3-O-?-D-Glucopyranoside 	C32H51NO6	545.371638	NA	MeJP	NA	NA
+MJ079441	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-amino 	C35H63NO3	545.480794	NA	MeJP	NA	NA
+MJ079442	Iron(II) citrate 	C12H10Fe3O14	545.811881	NA	MeJP	NA	NA
+C15143	(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone	C19H16I2O3	545.9189	NA	KEGG	NA	NA
+HMDB01399	4,6-Dideoxy-4-oxo-dTDP-D-glucose	C16H24N2O15P2	546.065186	NA	HMDB2010	NA	NA
+HMDB01399	4,6-Dideoxy-4-oxo-dTDP-D-glucose	C16H24N2O15P2	546.06519	http://www.hmdb.ca/metabolites/HMDB01399	HMDB	NA	NA
+HMDB01399	4,6-Dideoxy-4-oxo-dTDP-D-glucose	C16H24N2O15P2	546.06519	HMDB01399	PFEM_hmdb_metabocards_official	NA	NA
+MJ079443	dTDP-3-oxo-6-deoxy-D-glucose 	C16H24N2O15P2	546.065191	NA	MeJP	NA	NA
+MJ079444	dTDP-4-dehydro-6-deoxy-D-glucose 	C16H24N2O15P2	546.065191	NA	MeJP	NA	NA
+MJ079445	dTDP-4-dehydro-6-deoxy-L-mannose 	C16H24N2O15P2	546.065191	NA	MeJP	NA	NA
+MetaCyc03831	dTDP-4-dehydro-6-deoxy-L-mannose [dTDP-4-oxo-6-deoxy-L-mannose;dTDP-4-oxo-L-rhamnose;dTDP-4-dehydro-L-rhamnose;]	C16H24N2O15P2	546.065191	NA	metacyc	NA	NA
+MetaCyc03832	dTDP-4-dehydro-6-deoxy-D-glucose [TDP-4-keto-6-deoxy-D-glucose;TDP-4-oxo-6-deoxy-D-glucose;dTDP-4-oxo-6-deoxy-D-glucose;]	C16H24N2O15P2	546.065191	NA	metacyc	NA	NA
+C00688	dTDP-4-dehydro-6-deoxy-L-mannose	C16H24N2O15P2	546.0652	NA	KEGG	NA	NA
+C11907	4,6-Dideoxy-4-oxo-dTDP-D-glucose	C16H24N2O15P2	546.0652	NA	KEGG	NA	NA
+C11908	3,6-Dideoxy-3-oxo-dTDP-D-glucose	C16H24N2O15P2	546.0652	NA	KEGG	NA	NA
+C11926	dTDP-4-oxo-6-deoxy-D-allose	C16H24N2O15P2	546.0652	NA	KEGG	NA	NA
+MJ079446	Ustilaginoidin C 	C28H18O12	546.079826	NA	MeJP	NA	NA
+MJ079447	Xanthomegnin; Di-O-de-Me 	C28H18O12	546.079826	NA	MeJP	NA	NA
+C06889	Ceftazidime	C22H22N6O7S2	546.0991	NA	KEGG	NA	NA
+MJ079448	Ceftazidime 	C22H22N6O7S2	546.099138	NA	MeJP	NA	NA
+MJ079449	dTDP-L-mycarose 	C17H28N2O14P2	546.101576	NA	MeJP	NA	NA
+C11916	dTDP-L-mycarose	C17H28N2O14P2	546.1016	NA	KEGG	NA	NA
+C11921	dTDP-L-oleandrose	C17H28N2O14P2	546.1016	NA	KEGG	NA	NA
+C12444	dTDP-D-mycarose	C17H28N2O14P2	546.1016	NA	KEGG	NA	NA
+MJ079450	?-D-Galactopyranuronosyl-(1?4)-?-D-galactopyranuronosyl-(1?4)-D-galacturonic acid 	C18H26O19	546.106828	NA	MeJP	NA	NA
+MJ079451	Duclauxin 	C29H22O11	546.116211	NA	MeJP	NA	NA
+MJ079452	Antibiotic A 80915C 	C26H33Cl3O6	546.134271	NA	MeJP	NA	NA
+MJ079453	2',4',5',7-Tetrahydroxyisoflavene; 2'-Me, 4',5'-methylene ether, 7-O-(6-O-malonyl-?-D-glucopyranoside) 	C26H26O13	546.13734	NA	MeJP	NA	NA
+MJ079454	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-(2E-Butenoyl) 	C26H26O13	546.13734	NA	MeJP	NA	NA
+MJ079455	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-(6-O-malonyl-?-D-glucopyranoside) 	C26H26O13	546.13734	NA	MeJP	NA	NA
+MJ079456	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside), Me ester 	C26H26O13	546.13734	NA	MeJP	NA	NA
+MJ079457	Quercimeritrin; 6''-O-Tigloyl 	C26H26O13	546.13734	NA	MeJP	NA	NA
+FL3FEAGS0032	Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside)	C26H26O13	546.13734	-	knapsack	NA	NA
+FL5FACGI0001	Quercetin 7-(6''-tiglylglucoside)	C26H26O13	546.13734	56365-37-8	knapsack	NA	NA
+FL5FADGL0036	Isorhamnetin 3-[6''-(2-(E)-butenoyl)-glucoside];(E)-5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-(1-oxo-2-butenyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C26H26O13	546.13734	145204-82-6	knapsack	NA	NA
+FLIA2AGS0006	Afrormosin 7-O-(6''-malonylglucoside)	C26H26O13	546.13734	131670-16-1	knapsack	NA	NA
+MJ079458	10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,9-diol 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079459	3',4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079460	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4,4',7-pentahydroxyflavan, 4'-Deoxy 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079461	3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',7-tetrahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079462	3,3',4',7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079463	3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079464	3,4',7-Trihydroxyflavan(4?6')-3,3',4',7-tetrahydroxyflavan, 3''-Hydroxy 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079465	3,4',7-Trihydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079466	3,4',7-Trihydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079467	4',7,8-Trihydroxyflavan(4?6)-3,4,4',7,8-pentahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079468	4',7-Dihydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079469	4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3,7-diol 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079470	6-(3,7-Dihydroxychroman-2-yl)-4-(2,4-dihydroxyphenyl)-3,3',4',8-tetrahydroxyflavan 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079471	Atrovirin B 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079472	Cephalochromin; 3,3'-Di-Me 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079473	Elsinochrome D 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079474	Flavomannin 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079475	Hypocrellin 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079476	Isohypocrellin 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079477	Madurahydroxylactone; 3-O-Butyl 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079478	Shiraiachrome A 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079479	Shiraiachrome B 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079480	Spiromentin E 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079481	Spiromentin G 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079482	Spiromentin I 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079483	Vioxanthin 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079484	Xanthoaphin fb 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079485	Xanthoaphin sl-1 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079486	Xanthoaphin sl-2 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MJ079487	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3'-Bis(4S,5S-epoxy-2Z-hexenoyl) 	C30H26O10	546.152597	NA	MeJP	NA	NA
+MetaCyc03833	xanthoaphin []	C30H26O10	546.152597	1674-44-8	metacyc	NA	NA
+C01863	Xanthoaphin	C30H26O10	546.1526	NA	KEGG	NA	NA
+C10209	Afzelechin-(4alpha->8)-afzelechin	C30H26O10	546.1526	NA	KEGG	NA	NA
+C10231	Guibourtinidol-(4alpha->6)-catechin	C30H26O10	546.1526	NA	KEGG	NA	NA
+PJ004724	CMMY 	C22H34N4O6S3	546.1641	NA	PeJP	NA	NA
+PJ004725	GCCQH 	C19H30N8O7S2	546.1679	NA	PeJP	NA	NA
+C04194	Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]	C27H30O12	546.1737	NA	KEGG	NA	NA
+C04195	Glycoprotein phosphatidylinositol	C27H30O12	546.1737	NA	KEGG	NA	NA
+C04196	Heparosan-N-sulfate D-glucuronate	C27H30O12	546.1737	NA	KEGG	NA	NA
+MJ079488	2,3,3',4,4'-Pentahydroxylign-7-en-9,9'-olide, 3,4-Methylene, 3',4'-di-Me ether, 2-O-?-D-glucopyranoside 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079489	4',7-Dihydroxyisoflavone; 4',7-Di-O-?-L-rhamnopyranoside 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079490	4'-Demethylpodophyllotoxin; 7-Deoxy, 4'-O-?-glucopyranoside 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079491	5'-Demethoxy-?-peltatin A; O-?-D-Glucopyranoside 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079492	Anthracycline XF 1 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079493	Aranciamycin; 1?-Alcohol 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079494	Bruceanic acid A; 15-Deacyl, 15-benzoyl 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079495	Phyllamyricoside B 	C27H30O12	546.173726	NA	MeJP	NA	NA
+MJ079496	Steffimycin; 7-Deoxo, O3-de-Me 	C27H30O12	546.173726	NA	MeJP	NA	NA
+PJ004726	CDFY 	C25H30N4O8S	546.1785	NA	PeJP	NA	NA
+MJ079497	Xylotetraose 	C20H34O17	546.179599	NA	MeJP	NA	NA
+PJ004727	SSCNH 	C19H30N8O9S	546.1857	NA	PeJP	NA	NA
+MJ079498	Lehmbachol A 	C31H30O9	546.188982	NA	MeJP	NA	NA
+PJ004728	SPNDD 	C20H30N6O12	546.1922	NA	PeJP	NA	NA
+PJ004729	EMMH 	C21H34N6O7S2	546.1931	NA	PeJP	NA	NA
+PJ004730	SDYY 	C25H30N4O10	546.1962	NA	PeJP	NA	NA
+PJ004731	CMFF 	C26H34N4O5S2	546.1971	NA	PeJP	NA	NA
+PJ004732	GNNNE 	C19H30N8O11	546.2034	NA	PeJP	NA	NA
+PJ004733	GGGGGGGE 	C19H30N8O11	546.2035	NA	PeJP	NA	NA
+PJ004734	GCCKH 	C20H34N8O6S2	546.2043	NA	PeJP	NA	NA
+PJ004735	DEHF 	C24H30N6O9	546.2075	NA	PeJP	NA	NA
+MJ079499	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 9-benzoyl, 1,2,6-tri-Ac 	C28H34O11	546.210111	NA	MeJP	NA	NA
+MJ079500	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 1-benzoyl, 6,9,14-tri-Ac 	C28H34O11	546.210111	NA	MeJP	NA	NA
+MJ079501	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 4,6-O-benzylidene, 2-Ac 	C28H34O11	546.210111	NA	MeJP	NA	NA
+MJ079502	3-Phenyl-2-propen-1-ol, O-[?-L-Rhamnopyranosyl-(1?6)-4-O-benzoyl-?-D-glucopyranoside] 	C28H34O11	546.210111	NA	MeJP	NA	NA
+MJ079503	Dehydrobruceolide; 15-O-(3,4-Dimethyl-2E-pentenoyl) 	C28H34O11	546.210111	NA	MeJP	NA	NA
+PJ004736	GPNEM 	C21H34N6O9S	546.2108	NA	PeJP	NA	NA
+MJ079504	Maysine 	C28H35ClN2O7	546.213279	NA	MeJP	NA	NA
+PJ004737	AMYY 	C26H34N4O7S	546.2148	NA	PeJP	NA	NA
+MJ079505	Apateline; 1,2-Didehydro 	C34H30N2O5	546.215472	NA	MeJP	NA	NA
+MJ079506	Apateline; Me ether, 1,2-didehydro, N2'-de-Me 	C34H30N2O5	546.215472	NA	MeJP	NA	NA
+MJ079507	Cocsoline, 1,2-Didehydro 	C34H30N2O5	546.215472	NA	MeJP	NA	NA
+MJ079508	Farglitazar 	C34H30N2O5	546.215472	NA	MeJP	NA	NA
+PJ004738	NNNW 	C23H30N8O8	546.2187	NA	PeJP	NA	NA
+7871	peptide from soybean protein isolate: b-conglycinin	TTYY	546.22	antioxidative	Inhouse_peptide	NA	peptide
+MJ079509	3?-Dihydrocadambine 	C27H34N2O10	546.221345	NA	MeJP	NA	NA
+MJ079510	Brachycerine 	C27H34N2O10	546.221345	NA	MeJP	NA	NA
+MJ079511	Isodihydrocadambine 	C27H34N2O10	546.221345	NA	MeJP	NA	NA
+PJ004739	GPCDR 	C20H34N8O8S	546.2221	NA	PeJP	NA	NA
+MJ079512	Gaudispirolactone 	C32H34O8	546.225368	NA	MeJP	NA	NA
+MJ079513	Gossypol, 6,6'-Di-Me ether 	C32H34O8	546.225368	NA	MeJP	NA	NA
+MJ079514	N-[(4-Methylphenyl)sulfonyl]-3-[[[5,6,7,8-tetrahydro-4-oxo-5-[2-(4-piperidinyl)ethyl]-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]carbonyl]amino]alanine 	C25H34N6O6S	546.226053	NA	MeJP	NA	NA
+PJ004740	PNMW 	C25H34N6O6S	546.2261	NA	PeJP	NA	NA
+PJ004741	AAQEE 	C21H34N6O11	546.2286	NA	PeJP	NA	NA
+PJ004742	PPCCK 	C22H38N6O6S2	546.2294	NA	PeJP	NA	NA
+MJ079515	Valerosidatum; 2',3'-Di-Ac 	C25H38O13	546.231241	NA	MeJP	NA	NA
+MJ079516	Valerosidatum; 2',7-Di-Ac 	C25H38O13	546.231241	NA	MeJP	NA	NA
+MJ079517	Valerosidatum; O-Deacyl, O-(2-methylbutanoyl), 2',3'-di-Ac 	C25H38O13	546.231241	NA	MeJP	NA	NA
+MJ079518	Viburnalloside 	C25H38O13	546.231241	NA	MeJP	NA	NA
+PJ004743	TTYY 	C26H34N4O9	546.2326	NA	PeJP	NA	NA
+C12099	Asukamycin	C31H34N2O7	546.2366	NA	KEGG	NA	NA
+MJ079519	10,11-Dimethoxy-1-methyldeacetylpicraline; Benzoyl 	C31H34N2O7	546.236601	NA	MeJP	NA	NA
+MJ079520	Akuammiline; O-De-Ac, O-(3,4,5-trimethoxybenzoyl) 	C31H34N2O7	546.236601	NA	MeJP	NA	NA
+MJ079521	Asukamycin 	C31H34N2O7	546.236601	NA	MeJP	NA	NA
+MJ079522	Quebrachidine; O-3,4,5-Trimethoxybenzoyl 	C31H34N2O7	546.236601	NA	MeJP	NA	NA
+MJ079523	Vincamajine; N1-De-Me, N1-(3,4,5-trimethoxybenzoyl) 	C31H34N2O7	546.236601	NA	MeJP	NA	NA
+MJ079524	Vincamajine; O-(4-Hydroxy-3,5-dimethoxybenzoyl) 	C31H34N2O7	546.236601	NA	MeJP	NA	NA
+MJ079525	Physagulin B 	C30H39ClO7	546.238431	NA	MeJP	NA	NA
+PJ004744	NEER 	C20H34N8O10	546.2398	NA	PeJP	NA	NA
+PJ004745	VNEW 	C25H34N6O8	546.2438	NA	PeJP	NA	NA
+MJ079526	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4-Ac 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079527	11,16:15,16-Diepoxy-2,4,6,7,13,18-hexahydroxy-1-clerodanone, 7-Cinnamoyl(E-) 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079528	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-1,6,19-triol, 1-Tigloyl, 6,19-di-Ac 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079529	2,3,16-Trihydroxy-22,23,24,25,26,27,29-heptanorcucurbita-1,3,5(10),6-tetraene-11,20-dione; 16?-form, 2-O-?-D-Glucopyranoside 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079530	2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2-Ac, 3-propanoyl 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079531	Affinoside F; 3'-O-De-Me 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079532	Affinoside R; 3'-O-De-Me 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079533	Amoorastatone; 12?-Hydroxy, 29-Me ether 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079534	Baccharinoid B13 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079535	Baccharinoid B16 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079536	Baccharinoid B9 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079537	Elaeodendroside P 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079538	Elaeodendroside Q 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079539	Gomphoside; 19-Oxo, 4'?-hydroxy, 5,6-didehydro 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079540	Gomphoside; 3'-Epimer, 19-oxo, 15?-hydroxy, 5,6-didehydro 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079541	Gomphoside; 3'-Epimer, 19-oxo, 15?-hydroxy, 7,8-didehydro 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079542	Gomphoside; 3'-Epimer, 19-oxo, 16?-hydroxy, 5,6-didehydro 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079543	Gomphoside; 3'-Epimer, 19-oxo, 17?-hydroxy, 7,8-didehydro 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079544	Roridin D; 3-Hydroxy 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079545	Roridin D; 8?-Hydroxy 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079546	Roridin D; 9?,10?-Epoxide 	C29H38O10	546.246497	NA	MeJP	NA	NA
+MJ079547	Roridin L2; 16-Hydroxy 	C29H38O10	546.246497	NA	MeJP	NA	NA
+PJ004746	GPDKM 	C22H38N6O8S	546.2472	NA	PeJP	NA	NA
+PJ004747	AFFY 	C30H34N4O6	546.2479	NA	PeJP	NA	NA
+PJ004748	GSNNR 	C19H34N10O9	546.251	NA	PeJP	NA	NA
+PJ004749	GGGSNR 	C19H34N10O9	546.2511	NA	PeJP	NA	NA
+PJ004750	GERW 	C24H34N8O7	546.2551	NA	PeJP	NA	NA
+MJ079548	Antibiotic TAN 420; Antibiotic TAN 420A, Quinone 	C28H38N2O9	546.25773	NA	MeJP	NA	NA
+MJ079549	Geldanamycin; O17-De-Me 	C28H38N2O9	546.25773	NA	MeJP	NA	NA
+PJ004751	GSPMR 	C21H38N8O7S	546.2584	NA	PeJP	NA	NA
+8080	synthetic peptide	RWW	546.259	inhibitor	Inhouse_peptide	NA	peptide
+PJ004752	GVWW 	C29H34N6O5	546.2591	NA	PeJP	NA	NA
+MJ079550	1,2,9-Trihydroxydihydro-?-agarofuran, 9E-Cinnamoyl, 2-benzoyl, 1-Ac 	C33H38O7	546.261753	NA	MeJP	NA	NA
+MJ079551	1,6,9-Trihydroxydihydro-?-agarofuran, 9-Benzoyl, 6-cinnamoyl, 1-Ac 	C33H38O7	546.261753	NA	MeJP	NA	NA
+MJ079552	Gaudichaudione A 	C33H38O7	546.261753	NA	MeJP	NA	NA
+MJ079553	Japoangelol C 	C33H38O7	546.261753	NA	MeJP	NA	NA
+MJ079554	Japoangelol D 	C33H38O7	546.261753	NA	MeJP	NA	NA
+MJ079555	Morellin; (E)-Isomer, 29-alcohol 	C33H38O7	546.261753	NA	MeJP	NA	NA
+MJ079556	Morellin; 29-Alcohol 	C33H38O7	546.261753	NA	MeJP	NA	NA
+PJ004753	LMHF 	C26H38N6O5S	546.2625	NA	PeJP	NA	NA
+3274	NA	VTRGD	546.2639	celiac toxic	Inhouse_peptide	NA	peptide
+2838	oryzatensin - smooth musles contracting peptide	GYPMYPLPR	546.2642	MH2+	Inhouse_peptide	NA	peptide
+2839	oryzatensin	GYPMYPLPR	546.2642	MH2+	Inhouse_peptide	NA	peptide
+2840	oryzatensin	GYPMYPLPR	546.2642	MH2+	Inhouse_peptide	NA	peptide
+PJ004754	AAKEE 	C22H38N6O10	546.265	NA	PeJP	NA	NA
+MJ079557	1,3,5-Bisabolatriene-2,10,11-triol; 10-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H42O12	546.267626	NA	MeJP	NA	NA
+MJ079558	6,7,13,16,17-Pentahydroxy-19-kauranoic acid, 17-O-?-D-Glucopyranoside 	C26H42O12	546.267626	NA	MeJP	NA	NA
+MJ079559	Rishitin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H42O12	546.267626	NA	MeJP	NA	NA
+PJ004755	RWW 	C28H34N8O4	546.2703	NA	PeJP	NA	NA
+MJ079560	Channaine 	C32H38N2O6	546.272986	NA	MeJP	NA	NA
+PJ004756	DKER 	C21H38N8O9	546.2762	NA	PeJP	NA	NA
+PJ004757	VDKW 	C26H38N6O7	546.2802	NA	PeJP	NA	NA
+MJ079561	12,15,20-Trihydroxy-3,7,11,23-tetraoxolanost-8-en-26-oic acid 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079562	3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079563	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079564	3,14-Dihydroxy-11,12-dioxocard-20(22)-enolide, 3-O-L-Oleandroside 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079565	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079566	3,5,14-Trihydroxy-19-oxocarda-6,20(22)-dienolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-arabino-hexopyranoside) 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079567	9,12,13,17,20-Pentahydroxy-1,6-tigliadien-3-one, 12,13-Bis(2-methylpropanoyl), 17-Ac 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079568	Affinoside C 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079569	Ingol; O8-Me, 7-angeloyl, 3,12-di-Ac 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079570	Ingol; O8-Me, 7-tigloyl, 3,12-di-Ac 	C30H42O9	546.282882	NA	MeJP	NA	NA
+MJ079571	Pregnane-3,5,6,8,12,14,17,20-octol, 12-Cinnamoyl 	C30H42O9	546.282882	NA	MeJP	NA	NA
+C08860	Decoside	C30H42O9	546.2829	NA	KEGG	NA	NA
+PJ004758	APTKM 	C23H42N6O7S	546.2836	NA	PeJP	NA	NA
+MJ079572	Cholest-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate 	C27H46O9S	546.286253	NA	MeJP	NA	NA
+PJ004759	SERR 	C20H38N10O8	546.2874	NA	PeJP	NA	NA
+4011	LDT 2, beta-chain	ALCSEK	546.289	haemolytic	Inhouse_peptide	NA	peptide
+PJ004760	SVRW 	C25H38N8O6	546.2914	NA	PeJP	NA	NA
+PJ004761	PQFR 	C25H38N8O6	546.2915	NA	PeJP	NA	NA
+MJ079573	Macbecin II; O11-De-Me 	C29H42N2O8	546.294116	NA	MeJP	NA	NA
+MJ079574	Macbecin II; O12-De-Me 	C29H42N2O8	546.294116	NA	MeJP	NA	NA
+MJ079575	Macbecin II; O15-De-Me 	C29H42N2O8	546.294116	NA	MeJP	NA	NA
+PJ004762	LQMR 	C22H42N8O6S	546.2948	NA	PeJP	NA	NA
+PJ004763	PTTTK 	C23H42N6O9	546.3013	NA	PeJP	NA	NA
+PJ004764	GTLKE 	C23H42N6O9	546.3014	NA	PeJP	NA	NA
+MJ079576	2-Methyl-1-phenylpropyl [2-[[7-[(aminocarbonyl)amino]heptyl]amino]-1-[(2,3-difluorophenyl)methyl]1-methyl-2-oxoethyl]carbamate 	C29H40F2N4O4	546.301762	NA	MeJP	NA	NA
+PJ004765	CLRR 	C21H42N10O5S	546.3061	NA	PeJP	NA	NA
+PJ004766	GTTLR 	C22H42N8O8	546.3126	NA	PeJP	NA	NA
+MJ079577	Cycloxazoline 	C27H42N6O6	546.316583	NA	MeJP	NA	NA
+C15739	Westiellamide	C27H42N6O6	546.3166	NA	KEGG	NA	NA
+PJ004767	TLKW 	C27H42N6O6	546.3166	NA	PeJP	NA	NA
+MJ079578	2,3,23-Trihydroxy-11-oxo-12-oleanene-28,30-dioic acid, 30-Me ester 	C31H46O8	546.319268	NA	MeJP	NA	NA
+MJ079579	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-(2-O-Methyl-D-digitaloside) 	C31H46O8	546.319268	NA	MeJP	NA	NA
+MJ079580	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(2-Methylbutanoyl), 2,5,10-tri-Ac 	C31H46O8	546.319268	NA	MeJP	NA	NA
+MJ079581	Cochlioquinol 	C31H46O8	546.319268	NA	MeJP	NA	NA
+MJ079582	Isogosterone C 	C31H46O8	546.319268	NA	MeJP	NA	NA
+PJ004768	GVLKM 	C24H46N6O6S	546.32	NA	PeJP	NA	NA
+PJ004769	PKFR 	C26H42N8O5	546.3278	NA	PeJP	NA	NA
+PJ004770	LKMR 	C23H46N8O5S	546.3312	NA	PeJP	NA	NA
+PJ004771	SSLLK 	C24H46N6O8	546.3377	NA	PeJP	NA	NA
+MJ079583	3-O-Mycarosylerythronolide B 	C28H50O10	546.340397	NA	MeJP	NA	NA
+MJ079584	3-O-(?-L-Mycarosyl)-8-hydroxyerythronolide B; 8-Deoxy 	C28H50O10	546.340397	NA	MeJP	NA	NA
+MJ079585	3-O-(?-L-Mycarosyl)-8-hydroxyerythronolide B; 8-Epimer, 8-deoxy 	C28H50O10	546.340397	NA	MeJP	NA	NA
+C06630	3-O-Mycarosylerythronolide B	C28H50O10	546.3404	NA	KEGG	NA	NA
+MJ079586	Glidobactin B 	C29H46N4O6	546.341735	NA	MeJP	NA	NA
+MJ079587	Buxidienine I; 30-Aldehyde, N20-Me, N3-benzoyl, O16-Ac 	C34H46N2O4	546.345757	NA	MeJP	NA	NA
+MJ079588	Idiospermuline 	C35H42N6	546.347095	NA	MeJP	NA	NA
+PJ004772	GSKKK 	C23H46N8O7	546.349	NA	PeJP	NA	NA
+MJ079589	3,14,21,30-Tetrahydroxy-12-pachanen-28-oic acid, 21-Ac 	C32H50O7	546.355653	NA	MeJP	NA	NA
+MJ079590	Heracleifolinol 	C32H50O7	546.355653	NA	MeJP	NA	NA
+MJ079591	Hippuristanol; 22-Epimer, 3,11-di-Ac 	C32H50O7	546.355653	NA	MeJP	NA	NA
+MJ079592	Hovenidulcigenin A; 24,25?-Dihydro 	C32H50O7	546.355653	NA	MeJP	NA	NA
+MJ079593	3,11-Dihydroxystigmasta-7,20-dien-6-one, 3-Benzoyl 	C36H50O4	546.37091	NA	MeJP	NA	NA
+MJ079594	Glycerol 2-alkanoates; Glycerol 2-(9Z-eicosenoate), 1-O-?-D-Glucopyranoside 	C29H54O9	546.376783	NA	MeJP	NA	NA
+MJ079595	Buxanoldine; 31-Deoxy, O16-Ac 	C35H50N2O3	546.382143	NA	MeJP	NA	NA
+MJ079596	Buxodienine I; N20,N20-Di-Me, N3-benzoyl, O-Ac 	C35H50N2O3	546.382143	NA	MeJP	NA	NA
+MJ079597	Buxodienine I; N3,N3-Di-Me, N20-benzoyl, O-Ac 	C35H50N2O3	546.382143	NA	MeJP	NA	NA
+MJ079598	3',4',7,7',8,8'-Hexadehydro-?,?-caroten-3-ol 	C40H50O	546.386166	NA	MeJP	NA	NA
+MJ079599	Tedaniaxanthin 	C40H50O	546.386166	NA	MeJP	NA	NA
+MJ079600	3,11,15,29-Tetrahydroxystigmast-5-en-7-one, 3-(2-Methylpropanoyl) 	C33H54O6	546.392039	NA	MeJP	NA	NA
+MJ079601	Ergosta-7,22-diene-3,5-diol, 3-O-?-D-Xylopyranoside 	C33H54O6	546.392039	NA	MeJP	NA	NA
+MJ079602	Phellochrysein 	C33H54O6	546.392039	NA	MeJP	NA	NA
+HMDB06816	3-hexaprenyl-4-hydroxybenzoic acid	C37H54O3	546.407288	NA	HMDB2010	NA	NA
+HMDB06818	2-Hexaprenyl-6-methoxy-1,4-benzoquinone	C37H54O3	546.407288	NA	HMDB2010	NA	NA
+HMDB06816	3-hexaprenyl-4-hydroxybenzoate	C37H54O3	546.40729	http://www.hmdb.ca/metabolites/HMDB06816	HMDB	NA	NA
+HMDB06818	2-Hexaprenyl-6-methoxy-1,4-benzoquinone	C37H54O3	546.40729	http://www.hmdb.ca/metabolites/HMDB06818	HMDB	NA	NA
+HMDB06816	3-hexaprenyl-4-hydroxybenzoate	C37H54O3	546.40729	HMDB06816	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06818	2-Hexaprenyl-6-methoxy-1,4-benzoquinone	C37H54O3	546.40729	HMDB06818	PFEM_hmdb_metabocards_official	NA	NA
+MJ079603	Ergost-5-en-3-ol, 4-Hydroxycinnamoyl 	C37H54O3	546.407295	NA	MeJP	NA	NA
+C05803	2-Hexaprenyl-6-methoxy-1,4-benzoquinone	C37H54O3	546.4073	NA	KEGG	NA	NA
+C13425	3-Hexaprenyl-4-hydroxybenzoate	C37H54O3	546.4073	NA	KEGG	NA	NA
+MJ079604	24,26-Dimethylcholest-5-en-3-ol, 3-O-?-D-Xylopyranoside 	C34H58O5	546.428424	NA	MeJP	NA	NA
+MJ079605	Dammar-22-ene-3,20,24,25-tetrol, 20,24-Di-Me ether, 3-Ac 	C34H58O5	546.428424	NA	MeJP	NA	NA
+MJ079606	Stigmast-5-en-3-ol, O-?-D-Xylopyranoside 	C34H58O5	546.428424	NA	MeJP	NA	NA
+MJ079607	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-hexacosanoyl 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079608	29-(2,3,4,5-Tetrahydroxypentyl)hopane 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079609	AML 1 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079610	Coriacycloenin 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079611	Diepomuricanin B 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079612	Diepoxymontin 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079613	Epoxymurin A; 19,20-Epoxide 	C35H62O4	546.46481	NA	MeJP	NA	NA
+MJ079614	1,2,7,7',8,8',11,11',12,12'-Decahydrolycopene 	C40H66	546.516452	NA	MeJP	NA	NA
+MJ079615	7'(6'?5')-Abeo-?,?-carotane 	C40H66	546.516452	NA	MeJP	NA	NA
+MJ079616	Cefazedone 	C18H15Cl2N5O5S3	546.961236	NA	MeJP	NA	NA
+MJ079617	Turbotoxin A 	C17H30I2N2O2(+)	547.03184	NA	MeJP	NA	NA
+MJ079618	Tris(8-quinolinolato-N1,O8)indium(III) 	C27H18InN3O3	547.038694	NA	MeJP	NA	NA
+C01219	CDP-4-dehydro-6-deoxy-D-glucose	C15H23N3O15P2	547.0604	NA	KEGG	NA	NA
+MJ079619	CDP-4-dehydro-6-deoxy-D-glucose 	C15H23N3O15P2	547.06044	NA	MeJP	NA	NA
+MetaCyc03834	CDP-4-dehydro-6-deoxy-D-glucose []	C15H23N3O15P2	547.06044	NA	metacyc	NA	NA
+C14817	BMS 379224	C23H20F2N5O5PS	547.0891	NA	KEGG	NA	NA
+C13089	Cefetamet pivoxil hydrochloride	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13090	Transferred to D01630	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13091	Transferred to D01631	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13092	Transferred to D01632	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13093	Transferred to D01633	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13094	Transferred to D01634	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13095	Transferred to D01635	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13096	Transferred to D01636	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13097	Transferred to D01637	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13098	Transferred to D01638	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13099	Transferred to D01639	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+C13100	Transferred to D01640	C20H25N5O7S2	547.0962	NA	KEGG	NA	NA
+MJ079620	Aleurinin B 	C24H21NO14	547.096204	NA	MeJP	NA	NA
+C04268	dTDP-4-amino-4,6-dideoxy-D-glucose	C16H27N3O14P2	547.0968	NA	KEGG	NA	NA
+C04346	dTDP-4-amino-4,6-dideoxy-D-galactose	C16H27N3O14P2	547.0968	NA	KEGG	NA	NA
+C04347	(+)-2,3-Dienoyl fatty acyl thioesters	C4H3OSR	547.0968	NA	KEGG	NA	NA
+C11925	dTDP-3-amino-3,6-dideoxy-D-glucose	C16H27N3O14P2	547.0968	NA	KEGG	NA	NA
+C17087	dTDP-(3R)-amino-3,6-dideoxy-D-glucose	C16H27N3O14P2	547.0968	NA	KEGG	NA	NA
+MetaCyc03835	dTDP-D-fucosamine [TDP-fucosamine;TDP-FucN;TDP-D-fucosamine;]	C16H27N3O14P2	547.096826	NA	metacyc	NA	NA
+MetaCyc03836	dTDP-4-amino-4,6-dideoxy-D-glucose []	C16H27N3O14P2	547.096826	157296-99-6	metacyc	NA	NA
+MJ079621	Tris[1,2-ethanediylbis[dimethylphosphine]-P,P']technetium(1+) 	C18H48P6Tc(+)	547.117561	NA	MeJP	NA	NA
+C12479	Coumermic acid	C27H21N3O10	547.1227	NA	KEGG	NA	NA
+PJ004773	GCCCY 	C20H29N5O7S3	547.1229	NA	PeJP	NA	NA
+PJ004774	GCCEH 	C19H29N7O8S2	547.1519	NA	PeJP	NA	NA
+MJ079622	2,3-Dihydro-3,5-dihydroxy-2-oxo-1H-indole-3-acetic acid, 5-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C22H29NO15	547.153719	NA	MeJP	NA	NA
+MJ079623	2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid, 5-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C22H29NO15	547.153719	NA	MeJP	NA	NA
+PJ004775	CCHW 	C23H29N7O5S2	547.1672	NA	PeJP	NA	NA
+PJ004776	SSCDH 	C19H29N7O10S	547.1697	NA	PeJP	NA	NA
+PJ004777	SPDDD 	C20H29N5O13	547.1762	NA	PeJP	NA	NA
+PJ004778	PPCCE 	C21H33N5O8S2	547.1771	NA	PeJP	NA	NA
+MJ079624	Acrignine A 	C30H29NO9	547.184231	NA	MeJP	NA	NA
+PJ004779	GNNDE 	C19H29N7O12	547.1874	NA	PeJP	NA	NA
+PJ004780	GGGNDE 	C19H29N7O12	547.1875	NA	PeJP	NA	NA
+PJ004781	GTCMH 	C20H33N7O7S2	547.1883	NA	PeJP	NA	NA
+PJ004782	GPDEM 	C21H33N5O10S	547.1948	NA	PeJP	NA	NA
+MJ079625	Antibiotic K 13 	C29H29N3O8	547.195464	NA	MeJP	NA	NA
+PJ004783	NNDW 	C23H29N7O9	547.2027	NA	PeJP	NA	NA
+MJ079626	3-Demethylcolchicine; O-?-D-Glucopyranoside 	C27H33NO11	547.20536	NA	MeJP	NA	NA
+C17963	Colchicoside	C27H33NO11	547.2054	NA	KEGG	NA	NA
+PJ004784	SSSMH 	C20H33N7O9S	547.2061	NA	PeJP	NA	NA
+PJ004785	PDMW 	C25H33N5O7S	547.2101	NA	PeJP	NA	NA
+PJ004786	AAEEE 	C21H33N5O12	547.2126	NA	PeJP	NA	NA
+PJ004787	PPTCM 	C22H37N5O7S2	547.2135	NA	PeJP	NA	NA
+MJ079627	Rocaglatic acid; 1-Ac, dimethylamide 	C31H33NO8	547.220617	NA	MeJP	NA	NA
+MJ079628	Rocaglatic acid; Tetrahydro-2-furanamide(R-) 	C31H33NO8	547.220617	NA	MeJP	NA	NA
+MJ079629	Rocaglatic acid; Tetrahydro-2-furanamide(S-) 	C31H33NO8	547.220617	NA	MeJP	NA	NA
+2743	activating kinases and phosphatases peptide	EPFYVNDPD	547.22085	MH2+	Inhouse_peptide	NA	peptide
+PJ004788	NMHF 	C24H33N7O6S	547.2213	NA	PeJP	NA	NA
+PJ004789	DEER 	C20H33N7O11	547.2238	NA	PeJP	NA	NA
+PJ004790	VDEW 	C25H33N5O9	547.2279	NA	PeJP	NA	NA
+PJ004791	APTEM 	C22H37N5O9S	547.2312	NA	PeJP	NA	NA
+PJ004792	GSNDR 	C19H33N9O10	547.2351	NA	PeJP	NA	NA
+PJ004793	SQQW 	C24H33N7O8	547.2391	NA	PeJP	NA	NA
+MJ079630	Isoharringtonine; 3''-Hydroxy 	C28H37NO10	547.241746	NA	MeJP	NA	NA
+MJ079631	Isoharringtonine; 3'-Epimer, 3''-hydroxy 	C28H37NO10	547.241746	NA	MeJP	NA	NA
+PJ004794	AAQQM 	C21H37N7O8S	547.2425	NA	PeJP	NA	NA
+PJ004795	GPPMF 	C26H37N5O6S	547.2465	NA	PeJP	NA	NA
+PJ004796	GTLEE 	C22H37N5O11	547.249	NA	PeJP	NA	NA
+PJ004797	PVVCM 	C23H41N5O6S2	547.2498	NA	PeJP	NA	NA
+PJ004798	GPLMM 	C23H41N5O6S2	547.2499	NA	PeJP	NA	NA
+PJ004799	GPTHH 	C23H33N9O7	547.2503	NA	PeJP	NA	NA
+3376	NA	DFVAP	547.2519	celiac toxic	Inhouse_peptide	NA	peptide
+PJ004800	NQMR 	C20H37N9O7S	547.2537	NA	PeJP	NA	NA
+MJ079632	Cytochalasin L 	C32H37NO7	547.257002	NA	MeJP	NA	NA
+PJ004801	GSQKE 	C21H37N7O10	547.2602	NA	PeJP	NA	NA
+MJ079633	Testiphenone 	C31H43Cl2NO3	547.261999	NA	MeJP	NA	NA
+PJ004802	TLEW 	C26H37N5O8	547.2642	NA	PeJP	NA	NA
+MJ079634	Plicacetin; 3'?-Hydroxy, 4''-N-Me 	C26H37N5O8	547.264213	NA	MeJP	NA	NA
+PJ004803	CNRR 	C19H37N11O6S	547.2649	NA	PeJP	NA	NA
+8189	peptide from buckwheat	VFPW	547.267	Dipeptides  ;SYN:Beta-Alanyl-L-histidine; Carnosine; Ignotine; Karnozin; Karnozzn; L-Carnosine; N-(3-Aminopropanoyl)histidine; N-(b-Alanyl)-L-histidine; N-b-alanyl-L-Histidine; N-beta-alanyl-L-Histidine; b-Alanyl-L-histidine; b-Alanylhistidine; beta-Alanylhistidine; SevitinH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+EUR915	Lyso PE 22:6 [M+Na]+	C27H44NO7P	547.267488	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR915	Lyso PE 22:6 [M+Na]+	C27H44NO7P	547.267488	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR915	Lyso PE 22:6 [M+Na]+	C27H44NO7P	547.267488	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR915	Lyso PE 22:6 [M+Na]+	C27H44NO7P	547.267488	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004804	GVLEM 	C23H41N5O8S	547.2676	NA	PeJP	NA	NA
+PJ004805	GSTQR 	C20H37N9O9	547.2714	NA	PeJP	NA	NA
+PJ004806	GGGTTR 	C20H37N9O9	547.2715	NA	PeJP	NA	NA
+PJ004807	SQKW 	C25H37N7O7	547.2755	NA	PeJP	NA	NA
+PJ004808	LEMR 	C22H41N7O7S	547.2788	NA	PeJP	NA	NA
+PJ004809	GGGVKM 	C22H41N7O7S	547.2789	NA	PeJP	NA	NA
+MJ079635	Avellanin B 	C30H37N5O5	547.279469	NA	MeJP	NA	NA
+MJ079636	Ergobutyrine 	C30H37N5O5	547.279469	NA	MeJP	NA	NA
+MJ079637	Ergonine 	C30H37N5O5	547.279469	NA	MeJP	NA	NA
+MJ079638	Ergosine 	C30H37N5O5	547.279469	NA	MeJP	NA	NA
+C09167	Ergosine	C30H37N5O5	547.2795	NA	KEGG	NA	NA
+PJ004810	PVFW 	C30H37N5O5	547.2795	NA	PeJP	NA	NA
+PJ004811	VLMW 	C27H41N5O5S	547.2829	NA	PeJP	NA	NA
+PJ004812	SSLLE 	C23H41N5O10	547.2854	NA	PeJP	NA	NA
+PJ004813	AALHH 	C24H37N9O6	547.2867	NA	PeJP	NA	NA
+MJ079639	Detoxin D1 	C28H41N3O8	547.289365	NA	MeJP	NA	NA
+PJ004814	NKMR 	C21H41N9O6S	547.2901	NA	PeJP	NA	NA
+EUR882	Lyso PE 20:4 [M+FA-H]-	C25H44NO7P	547.290422	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR882	Lyso PE 20:4 [M+FA-H]-	C25H44NO7P	547.290422	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR882	Lyso PE 20:4 [M+FA-H]-	C25H44NO7P	547.290422	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR882	Lyso PE 20:4 [M+FA-H]-	C25H44NO7P	547.290422	masses lipides attendues	Inhousejuil11	NA	NA
+2710	erythromycin inhibitor	MTIAI	547.2924	NA	Inhouse_peptide	NA	peptide
+PJ004815	GSKKE 	C22H41N7O9	547.2966	NA	PeJP	NA	NA
+PJ004816	VHHR 	C23H37N11O5	547.2979	NA	PeJP	NA	NA
+3540	ACE inhibitor	IYPR	547.3	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ004817	GPVLY 	C27H41N5O7	547.3006	NA	PeJP	NA	NA
+PJ004818	ATLLM 	C24H45N5O7S	547.304	NA	PeJP	NA	NA
+MJ079640	Roehybridine; 7a,10-Diepimer, Me ether 	C32H41N3O5	547.304621	NA	MeJP	NA	NA
+MJ079641	Roehybridine; Me ether 	C32H41N3O5	547.304621	NA	MeJP	NA	NA
+PJ004819	GSTKR 	C21H41N9O8	547.3078	NA	PeJP	NA	NA
+PJ004820	SKKW 	C26H41N7O6	547.3118	NA	PeJP	NA	NA
+PJ004821	PLRY 	C26H41N7O6	547.3119	NA	PeJP	NA	NA
+MJ079642	7-Demethylpiericidin A1; 4'-O-?-L-Rhamnopyranoside 	C30H45NO8	547.314517	NA	MeJP	NA	NA
+PJ004822	AAKKM 	C23H45N7O6S	547.3152	NA	PeJP	NA	NA
+PJ004823	TTTLL 	C24H45N5O9	547.3217	NA	PeJP	NA	NA
+MJ079643	Petuniasterone C; 22-(3-Pyridinecarbonyl) 	C34H45NO5	547.329773	NA	MeJP	NA	NA
+PJ004824	ATTKK 	C23H45N7O8	547.333	NA	PeJP	NA	NA
+MJ079644	AAL Toxin; AAL Toxin TA1, 5-Deoxy, N-Ac 	C27H49NO10	547.335646	NA	MeJP	NA	NA
+MJ079645	AAL Toxin; AAL Toxin TA2, 5-Deoxy, N-Ac 	C27H49NO10	547.335646	NA	MeJP	NA	NA
+PJ004825	GVLLF 	C28H45N5O6	547.337	NA	PeJP	NA	NA
+MJ079646	Trimethidinium(2+) 	C17H36N22(+)	547.341504	NA	MeJP	NA	NA
+PJ004826	LLFR 	C27H45N7O5	547.3482	NA	PeJP	NA	NA
+HMDB10392	LysoPC(20:2(11Z,14Z))	C28H54NO7P	547.36377	NA	HMDB2010	NA	NA
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR593	LysoPC(20:2)	[M+H]+	547.363775	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR593	LysoPC(20:2)	[M+H]+	547.363775	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR593	LysoPC(20:2)	[M+H]+	547.363775	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR593	LysoPC(20:2)	NA	547.363775	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR593	LysoPC(20:2)	[M+H]+	547.363775	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR593	LysoPC(20:2)	NA	547.363775	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR754	Lyso PC 20:2 monoisotopic mass 	C28H54NO7P	547.363792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR754	Lyso PC 20:2 monoisotopic mass 	C28H54NO7P	547.363792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR754	Lyso PC 20:2 monoisotopic mass 	C28H54NO7P	547.363792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR754	Lyso PC 20:2 monoisotopic mass 	C28H54NO7P	547.363792	masses lipides attendues	Inhousejuil11	NA	NA
+MJ079647	Pyrinodemin B; Lower homologue (n = 7) 	C36H57N3O	547.450163	NA	MeJP	NA	NA
+MJ079648	Rubrolide E; 3',3'',5''-Tribromo, 2-chloro 	C17H8Br3ClO4	547.766124	NA	MeJP	NA	NA
+HMDB06811	1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate	C11H19O19P3	547.97333	http://www.hmdb.ca/metabolites/HMDB06811	HMDB	NA	NA
+HMDB06811	1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate	C11H19O19P3	547.97333	HMDB06811	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12300	UDP-4-dehydro-6-deoxy-D-glucose	C15H22N2O16P2	548.044434	NA	HMDB2010	NA	NA
+MJ079649	UDP-4-dehydro-6-deoxy-D-glucose 	C15H22N2O16P2	548.044455	NA	MeJP	NA	NA
+MetaCyc03837	UDP-4-dehydro-6-deoxy-D-glucose [UDP-4-keto-6-deoxy-D-glucose;UDP-4-oxo-6-deoxy-D-glucose;]	C15H22N2O16P2	548.044456	NA	metacyc	NA	NA
+C04089	UDP-4-dehydro-6-deoxy-D-glucose	C15H22N2O16P2	548.0445	NA	KEGG	NA	NA
+C04090	Ubiquitin C-terminal thiolester	C15H22N2O16P2	548.0445	NA	KEGG	NA	NA
+C17328	UDP-4-keto-rhamnose	C15H22N2O16P2	548.0445	NA	KEGG	NA	NA
+MJ079650	Glutathionarsenoxide 	C18H25AsN4O9S	548.05582	NA	MeJP	NA	NA
+C03187	dTDP-6-deoxy-L-talose	C16H26N2O15P2	548.0808	NA	KEGG	NA	NA
+C03188	omega-Carboxyacyl-CoA	C23H36N7O19P3S	548.0808	NA	KEGG	NA	NA
+C03319	dTDP-6-deoxy-L-mannose	C16H26N2O15P2	548.0808	NA	KEGG	NA	NA
+C03323	(2,1-beta-D-Fructosyl)n	C6H12O6	548.0808	NA	KEGG	NA	NA
+C03442	dTDP-L-dihydrostreptose	C16H26N2O15P2	548.0808	NA	KEGG	NA	NA
+C07277	dTDP-D-fucose	C16H26N2O15P2	548.0808	NA	KEGG	NA	NA
+C11912	dTDP-6-deoxy-D-allose	C16H26N2O15P2	548.0808	NA	KEGG	NA	NA
+HMDB06354	Deoxythymidine diphosphate-l-rhamnose	C16H26N2O15P2	548.08081	http://www.hmdb.ca/metabolites/HMDB06354	HMDB	NA	NA
+HMDB06354	Deoxythymidine diphosphate-l-rhamnose	C16H26N2O15P2	548.08081	HMDB06354	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06354	Deoxythymidine diphosphate-l-rhamnose	C16H26N2O15P2	548.080811	NA	HMDB2010	NA	NA
+MJ079651	dTDP-6-deoxy-L-mannose 	C16H26N2O15P2	548.080841	NA	MeJP	NA	NA
+MJ079652	dTDP-6-deoxy-L-talose 	C16H26N2O15P2	548.080841	NA	MeJP	NA	NA
+MJ079653	dTDP-L-dihydrostreptose 	C16H26N2O15P2	548.080841	NA	MeJP	NA	NA
+MetaCyc03838	dTDP-D-fucose []	C16H26N2O15P2	548.080841	NA	metacyc	NA	NA
+MetaCyc03839	dTDP-6-deoxy-L-talose []	C16H26N2O15P2	548.080841	NA	metacyc	NA	NA
+MetaCyc03840	dTDP-&alpha;-L-rhamnose [dTDP-6-deoxy-L-mannose;dTDP-L-rhamnose;dTDP-rhamnose;]	C16H26N2O15P2	548.080841	572-96-3	metacyc	NA	NA
+MJ079654	Aurantioemestrin 	C27H20N2O9S	548.08895	NA	MeJP	NA	NA
+MJ079655	Ustilaginoidin C; 2,3-Dihydro 	C28H20O12	548.095476	NA	MeJP	NA	NA
+FL3FADGS0019	Luteolin 3'-methyl ether 7-malonylglucoside	C25H24O14	548.1166	-	knapsack	NA	NA
+FL3FAEGS0008	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)	C25H24O14	548.1166	98767-39-6	knapsack	NA	NA
+FL5FAAGS0058	Kaempferol 7-(6''-p-succinylglucoside)	C25H24O14	548.1166	72947-91-2	knapsack	NA	NA
+FL5FACGA0034	Quercetin 3-(3'',6''-diacetylgalactoside)	C25H24O14	548.1166	146018-88-4	knapsack	NA	NA
+FL5FAGGS0034	Myricetin 3-(3'',4''-diacetylrhamnoside);3-[(3,4-Di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C25H24O14	548.1166	184533-13-9	knapsack	NA	NA
+FLIAAEGS0002	Pratensein 7-O-(6''-malonylglucoside)	C25H24O14	548.1166	92632-65-0	knapsack	NA	NA
+MJ079656	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079657	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(3,4-Di-O-acetyl-?-L-rhamnopyranoside) 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079658	3,4',5,7,8-Pentahydroxyflavone; 8-O-(Di-O-acetyl-?-D-glucofuranoside) 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079659	3,4',5,7,8-Pentahydroxyflavone; 8-O-(Di-O-acetyl-?-D-glucopyranoside) 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079660	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Malonyl-?-D-glucopyranoside) 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079661	4-Hydroxy-1,2,9,10-anthracenetetrone; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079662	Hyperin; 3'',6''-Di-Ac 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079663	Isoquercitrin; 3',4'-Di-Ac 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079664	Isoquercitrin; Di-O''-Ac 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079665	Populnin; 6''-O-Succinoyl 	C25H24O14	548.116605	NA	MeJP	NA	NA
+MJ079666	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Succinoyl-?-D-glucopyranoside) 	C25H25O14(+)	548.116605	NA	MeJP	NA	NA
+MJ079667	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[2-Hydroxysuccinoyl-(?6)-?-D-glucopyranoside] 	C25H25O14(+)	548.116605	NA	MeJP	NA	NA
+MJ079668	Betanidin; 14,15-Didehydro, 5-O-?-D-glucopyranoside 	C24H24N2O13	548.127838	NA	MeJP	NA	NA
+MJ079669	Clecarmycin C; 8-Ketone 	C29H24O11	548.131861	NA	MeJP	NA	NA
+MJ079670	4',5,7-Trihydroxyflavylium(1+); 5-O-[3,4-Dihydroxycinnamoyl-(?5)?-L-arabinofuranoside] 	C29H25O11(+)	548.131861	NA	MeJP	NA	NA
+MJ079671	1,2-Dihydroxyanthraquinone; 1-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079672	1,3-Dihydroxy-2-methylanthraquinone; 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079673	1,6-Dihydroxy-2-methylanthraquinone; 6-O-?-Primeveroside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079674	1,8-Dihydroxy-3-methylanthraquinone; 8-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079675	2',3,4,4',5,5'-Hexahydroxylignan-9,9'-olide, 3,4:4',5'-Bis(methylene) ether, 2'-O-?-D-glucopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079676	3,4',5,7-Tetrahydroxyflavanone, 7-O-[4-Hydroxy-2-methylenebutanoyl-(?6)-?-D-glucopyranoside] 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079677	3,4',7-Trihydroxyflavone; 3-O-D-Apio-?-D-furanoside, 7-O-?-L-rhamnopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079678	4',7-Dihydroxyflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079679	4',7-Dihydroxyisoflavone; 7-O-?-D-Glucopyranoside, 4'-apioside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079680	4',7-Dihydroxyisoflavone; 7-O-[Apiosyl-(1?6)-?-D-glucopyranoside] 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079681	6,8-Diarabinopyranosyl-4',5,7-trihydroxyflavone; 7-Me ether 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079682	6-Arabinopyranosyl-8-glucopyranosyl-5,7-dihydroxyflavone 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079683	8-Arabinopyranosyl-6-glucopyranosyl-5,7-dihydroxyflavone 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079684	Cerarvensin; 2''-O-?-L-Rhamnopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079685	Cleomiscosin B; 6-Demethoxy, 5''-methoxy, 4''-O-?-D-glucopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079686	Gummadiol; 9'-Epimer, 9-O-?-D-glucopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079687	Mollupentin; 2''-O-?-L-Rhamnopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079688	Mollupentin; 7-Me ether, 2''-O-D-xyloside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079689	Puerarin; 6''-O-?-D-Apioside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079690	Puerarin; 6''-O-?-D-Xylopyranoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079691	Puerarin; 6''-O-D-Apio-?-D-furanoside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079692	Puerarin; O-Xyloside 	C26H28O13	548.15299	NA	MeJP	NA	NA
+MJ079693	Trilobatin B 	C26H28O13	548.15299	NA	MeJP	NA	NA
+FL3FA9CS0001	Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside	C26H28O13	548.15299	81091-21-6	knapsack	NA	NA
+FL3FA9CS0002	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside	C26H28O13	548.15299	81091-22-7	knapsack	NA	NA
+FL3FAACS0042	Mollupentin 2''-O-rhamnoside	C26H28O13	548.15299	146177-28-8	knapsack	NA	NA
+FL3FAACS0054	Cerarvensin 2''-O-rhamnoside	C26H28O13	548.15299	33569-09-4	knapsack	NA	NA
+FL3FAACS0076	Hemsleyanoside;Isomollupentin 4''-O-rhamnoside	C26H28O13	548.15299	466645-85-2	knapsack	NA	NA
+FL3FAACS0079	Isohemsleyanoside;8-[4-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C26H28O13	548.15299	466645-91-0	knapsack	NA	NA
+FL3FCACS0007	Almeidein	C26H28O13	548.15299	70521-81-2	knapsack	NA	NA
+FL3FCACS0008	Molludistin 2''-O-xyloside	C26H28O13	548.15299	101843-07-6	knapsack	NA	NA
+FL4DAAGS0012	(2R,3R)-3,5,7,4'-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside)	C26H28O13	548.15299	348087-79-6	knapsack	NA	NA
+FLIA1ACS0004	Mirificin	C26H28O13	548.15299	103654-50-8	knapsack	NA	NA
+FLIA1ACS0005	Pueraria glycoside 2;Puerarin 6''-O-xyloside	C26H28O13	548.15299	114240-18-5	knapsack	NA	NA
+FLIA1AGS0009	Daidzein 7-O-glucoside-4'-O-apioside	C26H28O13	548.15299	108069-01-8	knapsack	NA	NA
+FLIA1AGS0010	Daidzein 7-O-apiosyl-(1->6)-glucoside;Ambonin	C26H28O13	548.15299	108044-04-8	knapsack	NA	NA
+C17057	Puerarin xyloside	C26H28O13	548.153	NA	KEGG	NA	NA
+FL1CACNP0001	3,4-Dihydroxyrottlerin	C30H28O10	548.16824	24650-82-6	knapsack	NA	NA
+MJ079694	Elsinochrome C1 	C30H28O10	548.168247	NA	MeJP	NA	NA
+MJ079695	Hypomycin A 	C30H28O10	548.168247	NA	MeJP	NA	NA
+MJ079696	Pannellin; 1-Ac 	C30H28O10	548.168247	NA	MeJP	NA	NA
+MJ079697	Rocaglatic acid; 4'-Demethoxy, 3',4'-methylenedioxy, 1-Ac, Me ester 	C30H28O10	548.168247	NA	MeJP	NA	NA
+MJ079698	Rottlerin; 3,4-Dihydroxy 	C30H28O10	548.168247	NA	MeJP	NA	NA
+PJ004827	GNDDE 	C19H28N6O13	548.1715	NA	PeJP	NA	NA
+MJ079699	[1-[[2-Methoxy-4-[[(phenylsulfonyl)amino]carbonyl]phenyl]methyl]-1H-indazol-6-yl]carbamic acid; Cyclopentyl ester 	C28H28N4O6S	548.172955	NA	MeJP	NA	NA
+MJ079700	2,4,6-Trihydroxy-7-methyl-3(2H)-benzofuranone, 2,6-Di-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C23H32O15	548.17412	NA	MeJP	NA	NA
+MJ079701	2-O-?-L-Rhamnopyranosyl-L-arabinose; ?-Pyranose-form, Hexa-Ac 	C23H32O15	548.17412	NA	MeJP	NA	NA
+MJ079702	Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) 	C23H32O15	548.17412	NA	MeJP	NA	NA
+MJ079703	Sucrose; 6-O-(4-Hydroxy-3,5-dimethoxycinnamoyl) 	C23H32O15	548.17412	NA	MeJP	NA	NA
+MJ079704	?-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]cyclohexaneacetic acid 	C29H29ClN4O5	548.182647	NA	MeJP	NA	NA
+PJ004828	NDDW 	C23H28N6O10	548.1867	NA	PeJP	NA	NA
+FL1AUNGS0002	Ambofuracin	C27H32O12	548.18937	82358-50-7	knapsack	NA	NA
+MJ079705	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-[2-Methylbutyl-(?6)-?-D-glucopyranoside] 	C27H32O12	548.189376	NA	MeJP	NA	NA
+MJ079706	3,3',4,4',5-Pentahydroxylignan-9,9'-olide, 3',4'-Methylene 3,4-di-Me ether, 5-O-?-D-glucopyranoside 	C27H32O12	548.189376	NA	MeJP	NA	NA
+MJ079707	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 9-Aldehyde, 3',5,5'-tri-Me ether, 9'-O-?-D-glucopyranoside 	C27H32O12	548.189376	NA	MeJP	NA	NA
+MJ079708	Striatoside A; 5''-Me ether 	C27H32O12	548.189376	NA	MeJP	NA	NA
+C15579	Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]	C27H32O12	548.1894	NA	KEGG	NA	NA
+PJ004829	SPCNE 	C20H32N6O10S	548.1901	NA	PeJP	NA	NA
+PJ004830	MMMH 	C21H36N6O5S3	548.191	NA	PeJP	NA	NA
+PJ004831	TCYY 	C25H32N4O8S	548.1941	NA	PeJP	NA	NA
+PJ004832	GNNNM 	C19H32N8O9S	548.2013	NA	PeJP	NA	NA
+PJ004833	GSPCW 	C24H32N6O7S	548.2053	NA	PeJP	NA	NA
+PJ004834	GSQEE 	C20H32N6O12	548.2078	NA	PeJP	NA	NA
+PJ004835	GGGTEE 	C20H32N6O12	548.2079	NA	PeJP	NA	NA
+PJ004836	GPNMM 	C21H36N6O7S2	548.2087	NA	PeJP	NA	NA
+PJ004837	GSDDR 	C19H32N8O11	548.2191	NA	PeJP	NA	NA
+PJ004838	APCCR 	C20H36N8O6S2	548.22	NA	PeJP	NA	NA
+PJ004839	SQEW 	C24H32N6O9	548.2231	NA	PeJP	NA	NA
+FL6DDAGI0001	3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside	C28H36O11	548.22576	118555-86-5	knapsack	NA	NA
+MJ079709	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6-tri-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079710	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,9,14-tri-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079711	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,14-tri-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079712	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 6,8,14-tri-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079713	11,12-Epoxy-2,3,9,14-tetrahydroxy-5,8(17)-briaradien-18,7-olide; Tetra-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079714	2,3,5,9,15-Pentahydroxy-6,11-euphoperfoliadiene-8,14-dione, 2,3,5,15-Tetra-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079715	4,18:12,20:15,16-Triepoxy-13(16),14-clerodadiene-3,6,19,20-tetrol, Tetra-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079716	8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 2,3,9,14-Tetra-Ac 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079717	Bruceanol A; 15-Deacyl, 15-(3,4-dimethyl-2E-pentenoyl) 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079718	Bruceolide; 15-(3,4-Dimethyl-2E-pentenoyl) 	C28H36O11	548.225761	NA	MeJP	NA	NA
+MJ079719	Yadanzioside N; Deglucosyl 	C28H36O11	548.225761	NA	MeJP	NA	NA
+C08749	Bruceantin	C28H36O11	548.2258	NA	KEGG	NA	NA
+PJ004840	AAQEM 	C21H36N6O9S	548.2265	NA	PeJP	NA	NA
+PJ004841	GFYY 	C29H32N4O7	548.2271	NA	PeJP	NA	NA
+MJ079720	Apateline 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+MJ079721	Asterriquinone D; 2',2''-Bis(3-methyl-2-butenyl), di-O-de-Me, O-Ac 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+MJ079722	Asterriquinone; Mono-Ac 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+MJ079723	Cocsoline 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+MJ079724	Pachyovatamine 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+MJ079725	Tricordatine 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+MJ079726	Trilobine; N-De-Me 	C34H32N2O5	548.231122	NA	MeJP	NA	NA
+PJ004842	NEMR 	C20H36N8O8S	548.2377	NA	PeJP	NA	NA
+PJ004843	GTWW 	C28H32N6O6	548.2384	NA	PeJP	NA	NA
+MJ079727	Artanomaloide 	C32H36O8	548.241018	NA	MeJP	NA	NA
+MJ079728	Arteminolide; 8-Deacyl, 8-Ac 	C32H36O8	548.241018	NA	MeJP	NA	NA
+MJ079729	Cycloshizukaol A 	C32H36O8	548.241018	NA	MeJP	NA	NA
+MJ079730	Shizukaol J 	C32H36O8	548.241018	NA	MeJP	NA	NA
+PJ004844	VNMW 	C25H36N6O6S	548.2417	NA	PeJP	NA	NA
+PJ004845	GSKEE 	C21H36N6O11	548.2442	NA	PeJP	NA	NA
+PJ004846	APCKM 	C22H40N6O6S2	548.2451	NA	PeJP	NA	NA
+PJ004847	QQHH 	C22H32N10O7	548.2456	NA	PeJP	NA	NA
+MJ079731	27-Norcholest-25-ene-2,3-diol, Di-O-sulfate 	C26H44O8S2	548.247759	NA	MeJP	NA	NA
+PJ004848	CDRR 	C19H36N10O7S	548.2489	NA	PeJP	NA	NA
+MJ079732	Minovincinine, 19-Epimer, O-(3,4,5-trimethoxybenzoyl) 	C31H36N2O7	548.252251	NA	MeJP	NA	NA
+MJ079733	Minovincinine, O-(3,4,5-Trimethoxybenzoyl) 	C31H36N2O7	548.252251	NA	MeJP	NA	NA
+PJ004849	GMRW 	C24H36N8O5S	548.253	NA	PeJP	NA	NA
+PJ004850	GSTER 	C20H36N8O10	548.2555	NA	PeJP	NA	NA
+7314	celiac sprue gluten epitope from gamma-gliadin	PFPQQPQQQ	548.257	MH2+	Inhouse_peptide	NA	peptide
+7322	celiac sprue gluten epitope from gamma-gliadin	PQQQFPQPQ	548.257	MH2+	Inhouse_peptide	NA	peptide
+7327	celiac sprue gluten epitope from gamma-gliadin	PQQQQPFPQ	548.257	MH2+	Inhouse_peptide	NA	peptide
+7328	celiac sprue gluten epitope from gamma-gliadin	QFPQPQQPQ	548.257	MH2+	Inhouse_peptide	NA	peptide
+PJ004851	SKEW 	C25H36N6O8	548.2595	NA	PeJP	NA	NA
+C09296	Archangelolide	C29H40O10	548.2621	NA	KEGG	NA	NA
+MJ079734	11,13-Epoxy-4,8,9-trihydroxy-3-oxo-10(14)-oplopen-12-oic acid, 8-(3-Methyl-2-pentenoyl), 9-(2-methylbutanoyl), 4-Ac, Me ester 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079735	14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 1-(2-methylbutanoyl), 14,15-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079736	14,15-Epoxy-4-isocedrene-1,3,14,15-tetrol, 3-(2,3-Epoxy-2-methylbutanoyl), 1-(3-methylbutanoyl), 14,15-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079737	14,15-Epoxy-4-isocedrene-3,8,9,14,15-pentol, 3-Angeloyl, 8-(2-methylbutanoyl),14,15-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079738	14,15-Epoxy-4-isocedrene-3,8,9,14,15-pentol, 3-Angeloyl, 8-(3-methylbutanoyl),14,15-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079739	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 6,7,18,19-tetra Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079740	19-Hydroxyingol; 8-Tigloyl, 12,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079741	2,19:4,18:11,16:15,16-Tetraepoxy-14-clerodene-1,6,19-triol, 14,15-Dihydro, 1-tigloyl, 6,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079742	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079743	2,8,10,11-Tetrahydroxy-3-guaien-12,6-olide, 2-O-Angeloyl, 8-O-(2-methylbutanoyl), 10,11-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079744	3,14,19-Trihydroxycarda-5,20(22)-dienolide, 19-Aldehyde, 3-O-?-D-glucopyranoside 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079745	3,5,11,14-Tetrahydroxy-19-oxocarda-6,20(22)-dienolide, 3-O-(2,6-Dideoxy-?-D-xylo-hexopyranoside) 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079746	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, 6,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079747	4,18-Epoxy-3,6,19-trihydroxy-1-oxo-13-cleroden-15,16-olide, 3-(2-Methylbutanoyl), 6,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079748	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-Tigloyl, 11,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079749	4,18:11,16:15,16-Triepoxy-14-clerodene-1,3,6,19-tetrol, 1-Tigloyl, 6,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079750	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-Tigloyl, 6,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079751	4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2-Methylbutanoyl), 6,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079752	4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-Tigloyl, 11,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079753	4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, 6-Tigloyl, 7,19-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079754	8,13-Epoxy-1,6,7,11-tetrahydroxy-4(18)-cleroden-15,16-olide, 7-(3-Methyl-2-butenoyl), 1,11-di-Ac 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079755	Affinoside C; 4'?-Hydroxy, O-de-Me 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079756	Andirobicin B; 2-O-?-D-Glucopyranoside 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079757	Baccharinoid B1 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079758	Baccharinoid B9; 13'-Epimer, 2',3'-Dihydro 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079759	Gomphoside; 19-Oxo, 16?-hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079760	Gomphoside; 19-Oxo, 17?-hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079761	Gomphoside; 19-Oxo, 17?-hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079762	Gomphoside; 19-Oxo, 4'?-hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079763	Gomphoside; 3'-Epimer, 19-oxo, 15?-hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079764	Roridin A; 16-Hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079765	Roridin A; 8?-Hydroxy 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079766	Roridin A; 9?,10?-Epoxide 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079767	Trichoverrol A; 6',7'-Diepimer, 8?-hydroxy, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079768	Trichoverrol A; 6',7'-Diepimer, 9?,10?-epoxide, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl) 	C29H40O10	548.262147	NA	MeJP	NA	NA
+MJ079769	Trichoverrol A; 6'-Epimer, 15-O-(E-5-hydroxy-3-methyl-2-pentenoyl), 9?,10?-epoxide 	C29H40O10	548.262147	NA	MeJP	NA	NA
+PJ004852	AAKEM 	C22H40N6O8S	548.2629	NA	PeJP	NA	NA
+MJ079770	Murabutide 	C23H40N4O11	548.269358	NA	MeJP	NA	NA
+PJ004853	STRW 	C24H36N8O7	548.2707	NA	PeJP	NA	NA
+MJ079771	Antibiotic TAN 420; Antibiotic TAN 420A 	C28H40N2O9	548.27338	NA	MeJP	NA	NA
+MJ079772	Antimycin A; Antimycin A1 	C28H40N2O9	548.27338	NA	MeJP	NA	NA
+MetaCyc03841	antimycin A []	C28H40N2O9	548.273381	NA	metacyc	NA	NA
+C11339	Antimycin A1	C28H40N2O9	548.2734	NA	KEGG	NA	NA
+PJ004854	DKMR 	C21H40N8O7S	548.2741	NA	PeJP	NA	NA
+PJ004855	VHFF 	C29H36N6O5	548.2747	NA	PeJP	NA	NA
+FL6F1ANC0002	(+)-Myristinin A;Myristinin A;trans-(+)-1-[3-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxyphenyl]-1-dodecanone	C33H40O7	548.2774	145904-69-4	knapsack	NA	NA
+MJ079773	4-(3-Dodecanoyl-2,4,6-trihydroxyphenyl)-4',7-dihydroxyflavan 	C33H40O7	548.277403	NA	MeJP	NA	NA
+MJ079774	Eupenifeldin 	C33H40O7	548.277403	NA	MeJP	NA	NA
+MJ079775	Pycnidione 	C33H40O7	548.277403	NA	MeJP	NA	NA
+PJ004856	CLKW 	C26H40N6O5S	548.2781	NA	PeJP	NA	NA
+PJ004857	ATTKE 	C22H40N6O10	548.2806	NA	PeJP	NA	NA
+PJ004858	QKHH 	C23H36N10O6	548.282	NA	PeJP	NA	NA
+MJ079776	15-Isopimarene-1,3,6,8,11,12,19-heptol, 12-O-?-D-Glucopyranoride 	C26H44O12	548.283276	NA	MeJP	NA	NA
+PJ004859	SMRR 	C20H40N10O6S	548.2853	NA	PeJP	NA	NA
+MJ079777	Narcissamine 	C32H40N2O6	548.288637	NA	MeJP	NA	NA
+PJ004860	SSSLR 	C21H40N8O9	548.2918	NA	PeJP	NA	NA
+PJ004861	AAPKY 	C26H40N6O7	548.2959	NA	PeJP	NA	NA
+C08859	Cymarin	C30H44O9	548.2985	NA	KEGG	NA	NA
+MJ079778	1,3,14-Trihydroxycarda-4,20(22)-dienolide, 3-O-(3-O-Methyl-L-rhamnoside) 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079779	11,12-Epoxy-3,14-dihydroxycard-20(22)-enolide, 3-O-L-Thevetoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079780	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 18,19-Dibutanoyl, 6-Ac 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079781	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7,18-Dibutanoyl, 19-Ac 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079782	18,20-Epoxy-3,14-dihydroxy-19-oxo-24-norcholan-23,21-olide, 3-O-?-D-Cymaropyranoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079783	3,11,14-Trihydroxy-12-oxocard-20(22)-enolide, 3-O-L-Diginoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079784	3,11,14-Trihydroxy-12-oxocard-20(22)-enolide, 3-O-L-Oleandroside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079785	3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-D-Sarmentoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079786	3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-Diginoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079787	3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-L-Diginoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079788	3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-L-Oleandroside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079789	3,14-Dihydroxy-11-oxocard-20(22)-enolide, 3-O-D-Digitaloside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079790	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079791	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-D-galactopyranoside) 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079792	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079793	Cyasterone; 28-Demethyl, 2-Ac 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079794	Cyasterone; 28-Demethyl, 3-Ac 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079795	Gitaloxigenin; 3-O-Digitoxopyranoside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079796	Gossweiloside 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079797	Tanghinigenin; 17-Epimer, 3-O-(6-Deoxy-3-O-methyl-L-glucopyranoside) 	C30H44O9	548.298533	NA	MeJP	NA	NA
+MJ079798	Tanghinigenin; 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H44O9	548.298533	NA	MeJP	NA	NA
+PJ004862	GTLKM 	C23H44N6O7S	548.2992	NA	PeJP	NA	NA
+MJ079799	Chaenorhine 	C31H40N4O5	548.29987	NA	MeJP	NA	NA
+MJ079800	Nummularine C 	C31H40N4O5	548.29987	NA	MeJP	NA	NA
+MJ079801	Paliurine E 	C31H40N4O5	548.29987	NA	MeJP	NA	NA
+MJ079802	Paliurine F 	C31H40N4O5	548.29987	NA	MeJP	NA	NA
+C16261	5beta-Scymnol sulfate	C27H48O9S	548.3019	NA	KEGG	NA	NA
+MJ079803	Cholestane-3,5,6,15,16,26-hexol, 15-Sulfate 	C27H48O9S	548.301903	NA	MeJP	NA	NA
+MJ079804	Cholestane-3,5,6,15,16,26-hexol, 16-Sulfate 	C27H48O9S	548.301903	NA	MeJP	NA	NA
+MJ079805	Cholestane-3,5,6,15,16,26-hexol, 26-Sulfate 	C27H48O9S	548.301903	NA	MeJP	NA	NA
+MJ079806	Cholestane-3,5,6,15,16,26-hexol, 3-Sulfate 	C27H48O9S	548.301903	NA	MeJP	NA	NA
+MJ079807	Cholestane-3,7,12,24,26,27-hexol, 27-Sulfate 	C27H48O9S	548.301903	NA	MeJP	NA	NA
+MJ079808	[2-(2-Phenoxyethyl)-1,3-propanediyl]bisphosphonic acid; Tetrabutyl ester 	C27H50O7P2	548.303176	NA	MeJP	NA	NA
+MJ079809	N-(2-Hydroxy-3-phenylpropanoyl)leucylarginylaspartamide 	C25H40N8O6	548.307081	NA	MeJP	NA	NA
+PJ004863	VQFR 	C25H40N8O6	548.3071	NA	PeJP	NA	NA
+MJ079810	Geldanamycin; 18,21-Hydroquinone, 21-deoxy, 4,5-dihydro 	C29H44N2O8	548.309766	NA	MeJP	NA	NA
+MJ079811	Lebstatin 	C29H44N2O8	548.309766	NA	MeJP	NA	NA
+MJ079812	Ibupred 	C34H44O6	548.313789	NA	MeJP	NA	NA
+MJ079813	Ingenol; 3-(2,4,6,8,10-Tetradecapentaenoyl) 	C34H44O6	548.313789	NA	MeJP	NA	NA
+MJ079814	Limocinin 	C34H44O6	548.313789	NA	MeJP	NA	NA
+MJ079815	Schweinfurthin A 	C34H44O6	548.313789	NA	MeJP	NA	NA
+PJ004864	STTLK 	C23H44N6O9	548.317	NA	PeJP	NA	NA
+MJ079816	Halisulfate 1 	C31H48O6S	548.317159	NA	MeJP	NA	NA
+PJ004865	AFRR 	C24H40N10O5	548.3183	NA	PeJP	NA	NA
+MJ079817	Peloruside A 	C27H48O11	548.319662	NA	MeJP	NA	NA
+PJ004866	AALKF 	C27H44N6O6	548.3323	NA	PeJP	NA	NA
+MJ079818	1(10),4-Germacradien-6-ol, O-(3,4-Di-O-angeloyl-?-D-glucopyranoside) 	C31H48O8	548.334918	NA	MeJP	NA	NA
+MJ079819	1,3,25-Trihydroxy-21-oxocycloart-23-en-28-oic acid, 21-Carboxylic acid, 25-hydroperoxide, 28-Me ester 	C31H48O8	548.334918	NA	MeJP	NA	NA
+MJ079820	Pluchidionol 	C31H48O8	548.334918	NA	MeJP	NA	NA
+PJ004867	VKFR 	C26H44N8O5	548.3435	NA	PeJP	NA	NA
+MJ079821	Manzamine A 	C36H44N4O	548.351512	NA	MeJP	NA	NA
+MJ079822	Glidobactin C 	C29H48N4O6	548.357385	NA	MeJP	NA	NA
+MJ079823	Chisocheton compound C 	C32H52O7	548.371304	NA	MeJP	NA	NA
+MJ079824	Raspacionin; 15,21-Dideacetyl, 10,28-dihydro, 10?-acetoxy, 4,21-diketone 	C32H52O7	548.371304	NA	MeJP	NA	NA
+MJ079825	Raspacionin; 15,21-Dideacetyl, 10,28-dihydro, 10?-acetoxy, 4,21-diketone 	C32H52O7	548.371304	NA	MeJP	NA	NA
+MJ079826	3,11-Dihydroxystigmast-7-en-6-one, 3-Benzoyl 	C36H52O4	548.38656	NA	MeJP	NA	NA
+MJ079827	3,22-Dihydroxy-4-methylergost-7-en-6-one, 3-Benzoyl 	C36H52O4	548.38656	NA	MeJP	NA	NA
+MJ079828	Cyclomicrophylline I; N-Tetra-Me, O16-benzoyl 	C35H52N2O3	548.397793	NA	MeJP	NA	NA
+MJ079829	Nabitan 	C35H52N2O3	548.397793	NA	MeJP	NA	NA
+MJ079830	3',4',7',8'-Tetradehydro-?,?-caroten-3-ol 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079831	3',4'-Didehydro-?,?-caroten-4-one 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079832	3,4-Didehydro-?,?-caroten-16-al 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079833	3,4-Didehydro-?,?-caroten-2-one 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079834	Agelaxanthin A 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079835	Echinenone; 3',4'-Didehydro 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079836	Isoagelaxanthin A 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079837	Torularhodin; 16'-Aldehyde 	C40H52O	548.401816	NA	MeJP	NA	NA
+MJ079838	Ergost-5-ene-3,25-diol, 3-O-?-D-Arabinopyranoside 	C33H56O6	548.407689	NA	MeJP	NA	NA
+MetaCyc03842	cholesteryl-&beta;-D-glucoside []	C33H56O6	548.40769	NA	metacyc	NA	NA
+C03855	Cholesteryl-beta-D-glucoside	C33H56O6	548.4077	NA	KEGG	NA	NA
+C03856	Complement subcomponent C1s-	C33H56O6	548.4077	NA	KEGG	NA	NA
+MJ079839	20,34-Heptatriacontadiene-2,4,6,36-tetrayne-1,8,33-triol 	C37H56O3	548.422945	NA	MeJP	NA	NA
+HMDB12148	2-Hexaprenyl-6-methoxy-1,4-benzoquinol	C37H56O3	548.422974	NA	HMDB2010	NA	NA
+MJ079840	Cadabalone 	C35H64O4	548.48046	NA	MeJP	NA	NA
+MJ079841	Cohibin A 	C35H64O4	548.48046	NA	MeJP	NA	NA
+MJ079842	Cohibin B 	C35H64O4	548.48046	NA	MeJP	NA	NA
+MJ079843	Cyclostellettamine; Cyclostellettamine F 	C38H64N2	548.50695	NA	MeJP	NA	NA
+MJ079844	3-Methyl-3-buten-1-ol; Dotriacontanoyl 	C37H72O2	548.553231	NA	MeJP	NA	NA
+MJ079845	4-Methyl-1-heptatriaconten-10-ol 	C38H76O	548.589617	NA	MeJP	NA	NA
+MJ079846	2-(3,5-Dibromo-2-hydroxyphenyl)-3,4,5-tribromopyrrole 	C10H4Br5NO	548.620976	NA	MeJP	NA	NA
+MJ079847	11,21-Dimethylheptatriacontane 	C39H80	548.626002	NA	MeJP	NA	NA
+MJ079848	11,23-Dimethylheptatriacontane 	C39H80	548.626002	NA	MeJP	NA	NA
+MJ079849	13,25-Dimethylheptatriacontane 	C39H80	548.626002	NA	MeJP	NA	NA
+MJ079850	15,19-Dimethylheptatriacontane 	C39H80	548.626002	NA	MeJP	NA	NA
+MJ079851	17,21-Dimethylheptatriacontane 	C39H80	548.626002	NA	MeJP	NA	NA
+7379	celiac sprue gluten epitope found in hordein	QQPFPPQQE	548.749	MH2+	Inhouse_peptide	NA	peptide
+7308	celiac sprue gluten epitope from alpha-gliadin	QYPQPQQPI	548.7675	MH2+	Inhouse_peptide	NA	peptide
+2841	orphanin FQ/nociceptin peptide [FQ/N (1-11)]	FGGFTGARKSA	548.7735	MH2+	Inhouse_peptide	NA	peptide
+3395	NA	AMKPWIQPK	548.79515	MH2+	Inhouse_peptide	NA	peptide
+7497	ACE inhibitor (from bovine as2-CN)	AMKPWIQPK	548.7952	MH2+	Inhouse_peptide	NA	peptide
+FL7AACGL0093	Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside)	C25H25O14	549.12443	749192-65-2	knapsack	NA	NA
+FL7AADGL0012	Peonidin 3-(6''-malonylglucoside)	C25H25O14	549.12443	122856-11-5	knapsack	NA	NA
+C06777	Pradimicinone I	C28H23NO11	549.1271	NA	KEGG	NA	NA
+FL7DAAGS0004	Apigeninidin 5-(5''-caffeylarabinoside)	C29H25O11	549.13968	131400-98-1	knapsack	NA	NA
+MJ079852	Oganomycin B 	C24H27N3O10S	549.141714	NA	MeJP	NA	NA
+PJ004868	GCCMH 	C19H31N7O6S3	549.1498	NA	PeJP	NA	NA
+MJ079853	Ezomycin D2 	C19H27N5O14	549.15545	NA	MeJP	NA	NA
+PJ004869	GDDDE 	C19H27N5O14	549.1555	NA	PeJP	NA	NA
+PJ004870	STCCH 	C19H31N7O8S2	549.1676	NA	PeJP	NA	NA
+PJ004871	DDDW 	C23H27N5O11	549.1707	NA	PeJP	NA	NA
+MJ079854	2-Propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H-imidazole-5-carboxylic acid 	C27H22F3N7O3	549.173622	NA	MeJP	NA	NA
+PJ004872	SPCDE 	C20H31N5O11S	549.1741	NA	PeJP	NA	NA
+PJ004873	PPCCM 	C21H35N5O6S3	549.175	NA	PeJP	NA	NA
+PJ004874	GNNDM 	C19H31N7O10S	549.1853	NA	PeJP	NA	NA
+PJ004875	GGGGGDM 	C19H31N7O10S	549.1854	NA	PeJP	NA	NA
+PJ004876	GSEEE 	C20H31N5O13	549.1919	NA	PeJP	NA	NA
+PJ004877	GPDMM 	C21H35N5O8S2	549.1927	NA	PeJP	NA	NA
+MJ079855	Astin E 	C25H32ClN5O7	549.199026	NA	MeJP	NA	NA
+MJ079856	Jadomycin; 6-O-(2,6-Dideoxyhexopyranoside) 	C30H31NO9	549.199881	NA	MeJP	NA	NA
+MJ079857	Ravidomycin; 10-O-De-Me 	C30H31NO9	549.199881	NA	MeJP	NA	NA
+MJ079858	Ravidomycin; N-De-Me 	C30H31NO9	549.199881	NA	MeJP	NA	NA
+MJ079859	Rocaglatic acid; 3'-Hydroxy, 1-Ac, methylamide 	C30H31NO9	549.199881	NA	MeJP	NA	NA
+C12395	Jadomycin B	C30H31NO9	549.1999	NA	KEGG	NA	NA
+PJ004878	CNQW 	C23H31N7O7S	549.2006	NA	PeJP	NA	NA
+PJ004879	SSNNE 	C19H31N7O12	549.2031	NA	PeJP	NA	NA
+MJ079860	Rotamicillin 	C28H31N5O5S	549.204589	NA	MeJP	NA	NA
+PJ004880	SEEW 	C24H31N5O10	549.2071	NA	PeJP	NA	NA
+PJ004881	AAEEM 	C21H35N5O10S	549.2105	NA	PeJP	NA	NA
+PJ004882	GPCHH 	C22H31N9O6S	549.2118	NA	PeJP	NA	NA
+PJ004883	GSSNW 	C23H31N7O9	549.2183	NA	PeJP	NA	NA
+PJ004884	GGGSSW 	C23H31N7O9	549.2184	NA	PeJP	NA	NA
+PJ004885	DEMR 	C20H35N7O9S	549.2217	NA	PeJP	NA	NA
+MJ079861	Saframycin YD-2 	C28H31N5O7	549.222348	NA	MeJP	NA	NA
+PJ004886	VDMW 	C25H35N5O7S	549.2257	NA	PeJP	NA	NA
+MJ079862	17-(3-Carboxy-1-oxopropoxy)-21-chloro-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-dien-20-yn-3-one 	C32H36ClNO5	549.2282	NA	MeJP	NA	NA
+PJ004887	ATTEE 	C21H35N5O12	549.2282	NA	PeJP	NA	NA
+PJ004888	APTMM 	C22H39N5O7S2	549.2291	NA	PeJP	NA	NA
+PJ004889	QEHH 	C22H31N9O8	549.2296	NA	PeJP	NA	NA
+PJ004890	GSCQR 	C19H35N9O8S	549.233	NA	PeJP	NA	NA
+MJ079863	Neoharringtonine; Homologue (n=2) 	C31H35NO8	549.236267	NA	MeJP	NA	NA
+MJ079864	Rocaglatic acid; 3'-Hydroxy, 8b-Et ether, dimethylamide 	C31H35NO8	549.236267	NA	MeJP	NA	NA
+MJ079865	Rocaglatic acid; 4-Hydroxybutylamide 	C31H35NO8	549.236267	NA	MeJP	NA	NA
+PJ004891	CNKW 	C24H35N7O6S	549.237	NA	PeJP	NA	NA
+PJ004892	SSNDK 	C20H35N7O11	549.2395	NA	PeJP	NA	NA
+PJ004893	AAPEY 	C25H35N5O9	549.2435	NA	PeJP	NA	NA
+PJ004894	AHHW 	C26H31N9O5	549.2448	NA	PeJP	NA	NA
+PJ004895	GTLEM 	C22H39N5O9S	549.2469	NA	PeJP	NA	NA
+PJ004896	SSSNR 	C19H35N9O10	549.2507	NA	PeJP	NA	NA
+PJ004897	PDRY 	C24H35N7O8	549.2547	NA	PeJP	NA	NA
+PJ004898	GGGGGVF 	C24H35N7O8	549.2548	NA	PeJP	NA	NA
+PJ004899	GSQKM 	C21H39N7O8S	549.2581	NA	PeJP	NA	NA
+PJ004900	PTFW 	C29H35N5O6	549.2588	NA	PeJP	NA	NA
+MJ079866	Geodiamolide A; Chloro analogue 	C28H40ClN3O6	549.260563	NA	MeJP	NA	NA
+PJ004901	TLMW 	C26H39N5O6S	549.2621	NA	PeJP	NA	NA
+MJ079867	Fluphenazine; Heptanoyl 	C29H38F3N3O2S	549.263682	NA	MeJP	NA	NA
+C07955	Fluphenazine enanthate	C29H38F3N3O2S	549.2637	NA	KEGG	NA	NA
+PJ004902	STTLE 	C22H39N5O11	549.2646	NA	PeJP	NA	NA
+PJ004903	GVLMM 	C23H43N5O6S2	549.2655	NA	PeJP	NA	NA
+MJ079868	Antibiotic KSA 9342 	C23H35N9O7	549.265944	NA	MeJP	NA	NA
+PJ004904	NNFR 	C23H35N9O7	549.266	NA	PeJP	NA	NA
+3789	NA	YPASL	549.268	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ004905	GSCKR 	C20H39N9O7S	549.2693	NA	PeJP	NA	NA
+MJ079869	Zygosporin D; 7,21-Di-Ac 	C32H39NO7	549.272652	NA	MeJP	NA	NA
+PJ004906	PMFR 	C25H39N7O5S	549.2734	NA	PeJP	NA	NA
+PJ004907	SSTQK 	C21H39N7O10	549.2759	NA	PeJP	NA	NA
+PJ004908	LMMR 	C22H43N7O5S2	549.2767	NA	PeJP	NA	NA
+PJ004909	THHR 	C22H35N11O6	549.2772	NA	PeJP	NA	NA
+PJ004910	GPTLY 	C26H39N5O8	549.2799	NA	PeJP	NA	NA
+EUR910	Lyso PE 22:5 [M+Na]+	C27H46NO7P	549.283138	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR910	Lyso PE 22:5 [M+Na]+	C27H46NO7P	549.283138	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR910	Lyso PE 22:5 [M+Na]+	C27H46NO7P	549.283138	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR910	Lyso PE 22:5 [M+Na]+	C27H46NO7P	549.283138	masses lipides attendues	Inhousejuil11	NA	NA
+PJ004911	TTCLL 	C23H43N5O8S	549.2832	NA	PeJP	NA	NA
+PJ004912	SSLLM 	C23H43N5O8S	549.2833	NA	PeJP	NA	NA
+MJ079870	Roehybridine; N-Oxide (?-) 	C31H39N3O6	549.283885	NA	MeJP	NA	NA
+PJ004913	VEFR 	C25H39N7O7	549.2911	NA	PeJP	NA	NA
+PJ004914	GSKKM 	C22H43N7O7S	549.2945	NA	PeJP	NA	NA
+PJ004915	VVFW 	C30H39N5O5	549.2951	NA	PeJP	NA	NA
+MJ079871	Ergosine; 9,10?-Dihydro 	C30H39N5O5	549.295119	NA	MeJP	NA	NA
+MJ079872	?-Lactorphin; 2-L-Leucine analogue 	C30H39N5O5	549.295119	NA	MeJP	NA	NA
+EUR877	Lyso PE 20:3 [M+FA-H]-	C25H46NO7P	549.306072	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR877	Lyso PE 20:3 [M+FA-H]-	C25H46NO7P	549.306072	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR877	Lyso PE 20:3 [M+FA-H]-	C25H46NO7P	549.306072	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR877	Lyso PE 20:3 [M+FA-H]-	C25H46NO7P	549.306072	masses lipides attendues	Inhousejuil11	NA	NA
+MJ079873	Petunianine B 	C33H43NO6	549.309038	NA	MeJP	NA	NA
+PJ004916	SSTKK 	C22H43N7O9	549.3122	NA	PeJP	NA	NA
+7801	ACE inhibitor from as2-casein	VRYL	549.316	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ004917	AALLY 	C27H43N5O7	549.3163	NA	PeJP	NA	NA
+PJ004918	VLRY 	C26H43N7O6	549.3275	NA	PeJP	NA	NA
+MJ079874	Isostrychnopentamine B 	C35H43N5O	549.346761	NA	MeJP	NA	NA
+MJ079875	Strychnopentamine 	C35H43N5O	549.346761	NA	MeJP	NA	NA
+PJ004919	KKKF 	C27H47N7O5	549.3639	NA	PeJP	NA	NA
+EUR749	Lyso PC 20:1 monoisotopic mass 	C28H56NO7P	549.379442	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR921	Lyso PE 24:1 [M-H-CH3]-	C29H58NO7P	549.379442	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR749	Lyso PC 20:1 monoisotopic mass 	C28H56NO7P	549.379442	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR921	Lyso PE 24:1 [M-H-CH3]-	C29H58NO7P	549.379442	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR749	Lyso PC 20:1 monoisotopic mass 	C28H56NO7P	549.379442	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR921	Lyso PE 24:1 [M-H-CH3]-	C29H58NO7P	549.379442	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR749	Lyso PC 20:1 monoisotopic mass 	C28H56NO7P	549.379442	masses lipides attendues	Inhousejuil11	NA	NA
+EUR921	Lyso PE 24:1 [M-H-CH3]-	C29H58NO7P	549.379442	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10391	LysoPC(20:1(11Z))	C28H56NO7P	549.379456	NA	HMDB2010	NA	NA
+HMDB11148	PC(18:1(9Z)e/2:0)	C28H56NO7P	549.379456	NA	HMDB2010	NA	NA
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR599	LysoPC(20:1)	[M+H]+	549.379475	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR599	LysoPC(20:1)	[M+H]+	549.379475	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR599	LysoPC(20:1)	[M+H]+	549.379475	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR599	LysoPC(20:1)	NA	549.379475	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR599	LysoPC(20:1)	[M+H]+	549.379475	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR599	LysoPC(20:1)	NA	549.379475	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ079876	3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol, O2'-(9Z,12Z-Octadecadienoyl) 	C36H55NO3	549.418194	NA	MeJP	NA	NA
+MJ079877	2-Amino-17-methyl-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl 	C35H67NO3	549.512095	NA	MeJP	NA	NA
+MJ079878	2-Amino-4,8-octadecadiene-1,3-diol, N-Me, N-hexadecanoyl 	C35H67NO3	549.512095	NA	MeJP	NA	NA
+2880	opioid fragment of b-lipotropin beta-neoendorph	YGGFLRKYP	549.7835	MH2+	Inhouse_peptide	NA	peptide
+7779	Streptococcus mutans inhibitor	TFFRLFNR	549.78995	MH2+	Inhouse_peptide	NA	peptide
+MJ079879	Sirodesmin A; Tetrasulfide homologue 	C20H26N2O8S4	550.057198	NA	MeJP	NA	NA
+MJ079880	Sirodesmin D 	C20H26N2O8S4	550.057198	NA	MeJP	NA	NA
+C01009	UDP-2-deoxyglucose	C15H24N2O16P2	550.0601	NA	KEGG	NA	NA
+C02199	UDP-L-rhamnose	C15H24N2O16P2	550.0601	NA	KEGG	NA	NA
+MJ079881	UDP-L-rhamnose 	C15H24N2O16P2	550.060105	NA	MeJP	NA	NA
+MetaCyc03843	UDP-L-rhamnose [UDP-rhamnose;]	C15H24N2O16P2	550.060106	NA	metacyc	NA	NA
+HMDB12305	UDP-L-rhamnose	C15H24N2O16P2	550.06012	NA	HMDB2010	NA	NA
+MJ079882	3',4',5,6,7-Pentahydroxyflavone; 7-O-(6-Malonyl-?-D-glucopyranoside) 	C24H22O15	550.09587	NA	MeJP	NA	NA
+MJ079883	Hyperin; 6''-O-Malonoyl 	C24H22O15	550.09587	NA	MeJP	NA	NA
+MJ079884	Isoquercitrin; 6''-O-Malonoyl 	C24H22O15	550.09587	NA	MeJP	NA	NA
+MJ079885	3,3',4',5,6,7-Hexahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside) 	C24H23O15(+)	550.09587	NA	MeJP	NA	NA
+FL3FECGS0020	6-Hydroxyluteolin 7-(6''-malonylglucoside)	C24H22O15	550.09587	98767-37-4	knapsack	NA	NA
+FL5FACGA0028	Quercetin 3-(6''-malonylgalactoside)	C24H22O15	550.09587	84392-08-5	knapsack	NA	NA
+FL5FACGL0054	Quercetin 3-(6''-malonylglucoside)	C24H22O15	550.09587	96862-01-0	knapsack	NA	NA
+FL5FAGGS0027	Myricetin 3-(4''-malonylrhamnoside);3-[[4-O-(Carboxyacetyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C24H22O15	550.09587	354527-07-4	knapsack	NA	NA
+C12638	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)	C24H22O15	550.0959	NA	KEGG	NA	NA
+MJ079886	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; 1,2,4,7,8-Penta-Ac 	C28H22O12	550.111126	NA	MeJP	NA	NA
+MJ079887	Mebezonium(2+); Iodide 	C19H40I2N2	550.128086	NA	MeJP	NA	NA
+FL3FACCS0042	6,8-Di-C-arabionopyranosylluteolin	C25H26O14	550.13225	152128-82-0	knapsack	NA	NA
+FL3FEAGS0045	Scutellarein 7-xylosyl-(1->2)-xyloside;6-Hydroxyapigenin 7-xylosyl-(1->2)-xyloside;5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one	C25H26O14	550.13225	340757-46-2	knapsack	NA	NA
+FL5FAAGS0032	Kaempferol 3,4'-dixyloside	C25H26O14	550.13225	78468-28-7	knapsack	NA	NA
+FL5FAIGL0004	Syringetin 3-(6''-acetylglucoside)	C25H26O14	550.13225	-	knapsack	NA	NA
+FL5FECGS0053	Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C25H26O14	550.13225	239133-33-6	knapsack	NA	NA
+FL5FFCGS0022	Limocitrin 7-(6''-acetylglucoside)	C25H26O14	550.13225	97744-93-9	knapsack	NA	NA
+MJ079888	2,5,7,8-Tetrahydroxy-6-[2-(2-methoxyethoxy)-3-[(methoxymethoxy)methoxy]propanoyl]-4-methylanthraquinone-1-carboxylic acid 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079889	3,3',4',5,6,7-Hexahydroxyflavone; 7-O-[2-Methylpropanoyl-(?6)-?-D-glucopyranoside] 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079890	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079891	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-(6-O-Acetyl-?-D-glucopyranoside) 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079892	3,4',5,7-Tetrahydroxyflavone; 3,4'-Di-O-D-xyloside 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079893	3,4',5,7-Tetrahydroxyflavone; 3,7-Diarabinoside 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079894	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-arabinopyranoside] 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079895	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079896	6,8-Diarabinosyl-3',4',5,7-tetrahydroxyflavone 	C25H26O14	550.132255	NA	MeJP	NA	NA
+MJ079897	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-arabinoside] 	C25H27O14(+)	550.132255	NA	MeJP	NA	NA
+MJ079898	Cefclidin 	C21H26N8O6S2	550.141671	NA	MeJP	NA	NA
+C11202	Cefclidin	C21H26N8O6S2	550.1417	NA	KEGG	NA	NA
+MJ079899	Betanidin; 15-Epimer, 5-O-?-D-glucopyranoside 	C24H26N2O13	550.143488	NA	MeJP	NA	NA
+MJ079900	Betanidin; 15-Epimer, 6-O-?-D-glucopyranoside 	C24H26N2O13	550.143488	NA	MeJP	NA	NA
+MJ079901	Betanidin; 5-O-?-D-Glucopyranoside 	C24H26N2O13	550.143488	NA	MeJP	NA	NA
+MJ079902	Betanidin; 6-O-?-D-Glucopyranoside 	C24H26N2O13	550.143488	NA	MeJP	NA	NA
+C08540	Betanin	C24H26N2O13	550.1435	NA	KEGG	NA	NA
+C08544	Gomphrenin-I	C24H26N2O13	550.1435	NA	KEGG	NA	NA
+C08551	Isobetanin	C24H26N2O13	550.1435	NA	KEGG	NA	NA
+FLIA1AGS0014	Formononetin 7-O-(2''-p-hydroxybenzoylglucoside)	C29H26O11	550.14751	122130-27-2	knapsack	NA	NA
+MJ079903	7-Hydroxy-4'-methoxyisoflavone; 7-O-[4-Hydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C29H26O11	550.147511	NA	MeJP	NA	NA
+MJ079904	Clecarmycin C 	C29H26O11	550.147511	NA	MeJP	NA	NA
+PJ004920	PCCND 	C19H30N6O9S2	550.1516	NA	PeJP	NA	NA
+PJ004921	CCYY 	C24H30N4O7S2	550.1556	NA	PeJP	NA	NA
+FL1C1AGS0004	Licuroside	C26H30O13	550.16864	29913-71-1	knapsack	NA	NA
+FL1CAAGS0006	Chalconaringenin 2'-rhamnosyl-(1->4)-xyloside	C26H30O13	550.16864	82344-84-1	knapsack	NA	NA
+FL2F1AGS0003	Liquiritigenin 4'-O-apiosyl(1->2)-glucoside	C26H30O13	550.16864	74639-14-8	knapsack	NA	NA
+FL2F1AGS0004	Liquiritigenin 7-apiofuranoside-4'-glucoside;7,4'-Dihydroxyflavanone 7-apiofuranoside-4'-glucoside	C26H30O13	550.16864	199796-12-8	knapsack	NA	NA
+MJ079905	1,3,8,9-Tetrahydroxy-6-methylanthracene; Glycoside 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079906	10-Hydroxyoleoside, 10-Cinnamoyl(E-), 7-Me ester 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079907	2',4,4',6'-Tetrahydroxychalcone; 2'-O-[Rhamnosyl-(1?4)-xyloside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079908	2',4,4'-Trihydroxychalcone; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079909	2',4,4'-Trihydroxychalcone; 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079910	3,4',5,7-Tetrahydroxy-8-prenylflavone; 2'',3''-Dihydro, 2'',3''-dihydroxy, 7-O-?-D-glucopyranoside 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079911	4',7-Dihydroxyflavanone, 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079912	4',7-Dihydroxyflavanone, 7-O-?-D-Apiofuranoside, 4'-O-?-D-glucopyranoside 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079913	4',7-Dihydroxyflavanone, 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079914	4'-Hydroxyacetophenone; O-[4-Hydroxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079915	Castavinol 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079916	Dunnisinoside 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079917	Hydrangenol, 4'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079918	Kingiside; 8-Epimer, 6'-O-(4-hydroxy-E-cinnamoyl) 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079919	Kingiside; 8-Epimer, 6'-O-(4-hydroxy-Z-cinnamoyl) 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079920	Scandoside; 6-O-(4-Hydroxycinnamoyl)(E-), Me ester 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079921	Scandoside; 6-O-(4-Hydroxycinnamoyl)(Z-), Me ester 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079922	Scandoside; 6-O-(4-Methoxycinnamoyl)(E-) 	C26H30O13	550.168641	NA	MeJP	NA	NA
+MJ079923	Swertiamarin; 4'-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C26H30O13	550.168641	NA	MeJP	NA	NA
+PJ004922	GNDDM 	C19H30N6O11S	550.1694	NA	PeJP	NA	NA
+PJ004923	SCNNN 	C18H30N8O10S	550.1806	NA	PeJP	NA	NA
+FL4DCBNC0001	Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol	C30H30O10	550.18389	412928-29-1	knapsack	NA	NA
+FL4DCBNC0002	Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-Estyryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol	C30H30O10	550.18389	412956-25-3	knapsack	NA	NA
+MJ079924	Erabulenol B 	C30H30O10	550.183897	NA	MeJP	NA	NA
+MJ079925	Phleichrome 	C30H30O10	550.183897	NA	MeJP	NA	NA
+MJ079926	Rocaglatic acid; 3'-Hydroxy, 1-Ac, Me ester 	C30H30O10	550.183897	NA	MeJP	NA	NA
+PJ004924	CNEW 	C23H30N6O8S	550.1846	NA	PeJP	NA	NA
+PJ004925	SSNDE 	C19H30N6O13	550.1871	NA	PeJP	NA	NA
+PJ004926	SPCNM 	C20H34N6O8S2	550.188	NA	PeJP	NA	NA
+MJ079927	Caeruleoside C 	C23H34O15	550.18977	NA	MeJP	NA	NA
+MJ079928	Geniposidic acid; 6'-O-?-D-Glucopyranosyl, Me ester 	C23H34O15	550.18977	NA	MeJP	NA	NA
+C16965	Genipin 1-beta-gentiobioside	C23H34O15	550.1898	NA	KEGG	NA	NA
+MJ079929	5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one, 4'-O-Cinnamoyl 	C34H30O7	550.199153	NA	MeJP	NA	NA
+MJ079930	5-Hydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8,8-dimethyl-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 4'-O-Cinnamoyl 	C34H30O7	550.199153	NA	MeJP	NA	NA
+MJ079931	Raocyclamide A 	C27H30N6O5S	550.199838	NA	MeJP	NA	NA
+PJ004927	GCWW 	C27H30N6O5S	550.1999	NA	PeJP	NA	NA
+PJ004928	GSSDW 	C23H30N6O10	550.2024	NA	PeJP	NA	NA
+CJpos0819	Phenylacetylglutamine [(2M+Na)]+	C26H32N4NaO8	550.203375	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0819	Phenylacetylglutamine [(2M+Na)]+	C26H32N4NaO8	550.203375	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+CJneg0645	Phenylacetylglutamine [(2M-2H+Na)]-	C26H30N4NaO8	550.204525	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0645	Phenylacetylglutamine [(2M-2H+Na)]-	C26H30N4NaO8	550.204525	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+C10560	Eucommin A	C27H34O12	550.205	NA	KEGG	NA	NA
+MJ079932	1,2,5,6,8-Pentahydroxyxanthone; 1,2,5,6-Tetra-Me ether, 8-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079933	1,3,4,5,8-Pentahydroxyxanthone; 3,4,5,8-Tetra-Me ether, 1-O-(2,3,4,6-tetra-O-methyl-?-D-glucopyranoside) 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079934	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2-Ketone, 6-O-?-D-glucopyranoside, Me ester 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079935	3,3',4,4',8-Pentahydroxylignan-9,9'-olide, 3,3',4'-Tri-Me ether, 4-O-?-D-glucopyranoside 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079936	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,5',9,9'-hexol, 3',5,5'-Tri-Me ether, 4'-O-?-D-glucopyranoside 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079937	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Diacetoxy-2-methylbutanoyl), 9-Ac, Me ester 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079938	Medioresinol, 4'-O-?-D-Glucopyranoside 	C27H34O12	550.205026	NA	MeJP	NA	NA
+MJ079939	Medioresinol, 4-O-?-D-Glucopyranoside 	C27H34O12	550.205026	NA	MeJP	NA	NA
+PJ004929	GSQEM 	C20H34N6O10S	550.2057	NA	PeJP	NA	NA
+MJ079940	Asterriquinone D; 2',2''-Bis(3-methyl-2-butenyl), 7'-carboxy, di-O-de-Me 	C33H30N2O6	550.210386	NA	MeJP	NA	NA
+MJ079941	Cocsulinine; Di-N-de-Me 	C33H30N2O6	550.210386	NA	MeJP	NA	NA
+PJ004930	EEHH 	C22H30N8O9	550.2136	NA	PeJP	NA	NA
+PJ004931	GSCER 	C19H34N8O9S	550.217	NA	PeJP	NA	NA
+MJ079942	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 6-Ketone, 1,9-dibenzoyl, 2-Ac 	C31H34O9	550.220282	NA	MeJP	NA	NA
+MJ079943	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 2-Ketone, 8,9-dibenzoyl, 6-Ac 	C31H34O9	550.220282	NA	MeJP	NA	NA
+MJ079944	Lappaol B 	C31H34O9	550.220282	NA	MeJP	NA	NA
+C17685	Lappaol B	C31H34O9	550.2203	NA	KEGG	NA	NA
+PJ004932	SQMW 	C24H34N6O7S	550.221	NA	PeJP	NA	NA
+PJ004933	SSTQE 	C20H34N6O12	550.2235	NA	PeJP	NA	NA
+PJ004934	AAQMM 	C21H38N6O7S2	550.2244	NA	PeJP	NA	NA
+PJ004935	GSNHH 	C21H30N10O8	550.2248	NA	PeJP	NA	NA
+MJ079945	1,1'-[[2,4-Bis(6-methoxy-1,3-benzodioxol-5-yl)-1,3-cyclobutanediyl]dicarbonyl]bispyrrolidine 	C30H34N2O8	550.231516	NA	MeJP	NA	NA
+PJ004936	SCRW 	C23H34N8O6S	550.2322	NA	PeJP	NA	NA
+PJ004937	SSSDR 	C19H34N8O11	550.2347	NA	PeJP	NA	NA
+PJ004938	NMMR 	C20H38N8O6S2	550.2356	NA	PeJP	NA	NA
+7670	ACE inhibitor from k-CN (76-80)	PNSHP	550.2369	antioxidative	Inhouse_peptide	NA	peptide
+PJ004939	GSTTW 	C24H34N6O9	550.2387	NA	PeJP	NA	NA
+PJ004940	GGGPTY 	C24H34N6O9	550.2388	NA	PeJP	NA	NA
+MJ079946	2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 2,4,9,14-Tetra-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079947	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,6,12,19-Tetra-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079948	6,7:17,18-Diepoxy-1(19),10(17),13-xenicatriene-8,11,12,18-tetrol; 20-Acetoxy, 11,12,18-tri-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079949	8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 3,14-di-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079950	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 4,14-di-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079951	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 9,14-di-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079952	8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; Tetra-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079953	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079954	Bruceanol A; 3,4?-Dihydro, 15-deacyl, 15-(3,4-dimethyl-2E-pentenoyl) 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079955	Bruceanol G; Deacetoxy 	C28H38O11	550.241412	NA	MeJP	NA	NA
+MJ079956	Helioxenicin A; 6-Ac 	C28H38O11	550.241412	NA	MeJP	NA	NA
+PJ004941	GSKEM 	C21H38N6O9S	550.2421	NA	PeJP	NA	NA
+PJ004942	NDFR 	C23H34N8O8	550.25	NA	PeJP	NA	NA
+MJ079957	Fantofarone 	C31H38N2O5S	550.250143	NA	MeJP	NA	NA
+MJ079958	Tetrahydro-4-(2-hydroxyethyl)-4-iodo-6-methyl-2H-pyran-2-one; Octadecanoyl 	C26H47IO4	550.251903	NA	MeJP	NA	NA
+PJ004943	GSTMR 	C20H38N8O8S	550.2534	NA	PeJP	NA	NA
+PJ004944	AQFW 	C28H34N6O6	550.254	NA	PeJP	NA	NA
+7323	celiac sprue gluten epitope from gamma-gliadin	PQQQFPQTQ	550.2545	MH2+	Inhouse_peptide	NA	peptide
+7329	celiac sprue gluten epitope from gamma-gliadin	QFPQTQQPQ	550.2545	MH2+	Inhouse_peptide	NA	peptide
+7339	celiac sprue gluten epitope from gamma-gliadin	QQTFPQQPQ	550.2545	MH2+	Inhouse_peptide	NA	peptide
+7342	celiac sprue gluten epitope from gamma-gliadin	QTQQPQQPF	550.2545	MH2+	Inhouse_peptide	NA	peptide
+7358	celiac sprue gluten epitope found in hordein	PFPQQPQPY	550.2565	MH2+	Inhouse_peptide	NA	peptide
+7368	celiac sprue gluten epitope found in hordein	PQPYPQQPF	550.2565	MH2+	Inhouse_peptide	NA	peptide
+7393	celiac sprue gluten epitope found in hordein*	PFPQQPYPQ	550.2565	MH2+	Inhouse_peptide	NA	peptide
+7402	celiac sprue gluten epitope found in secalin	PYPQQPFPQ	550.2565	MH2+	Inhouse_peptide	NA	peptide
+MJ079959	17-Hydroxyingenol; 17-Benzoyl, 20-angeloyl 	C32H38O8	550.256668	NA	MeJP	NA	NA
+PJ004945	SKMW 	C25H38N6O6S	550.2574	NA	PeJP	NA	NA
+PJ004946	SSTKE 	C21H38N6O11	550.2599	NA	PeJP	NA	NA
+PJ004947	GCLKM 	C22H42N6O6S2	550.2607	NA	PeJP	NA	NA
+PJ004948	AAKMM 	C22H42N6O6S2	550.2608	NA	PeJP	NA	NA
+MJ079960	9,13-Dihydroxy-4-megastigmen-3-one; 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H42O13	550.262541	NA	MeJP	NA	NA
+C12111	Manumycin A	C31H38N2O7	550.2679	NA	KEGG	NA	NA
+MJ079961	Manumycin A 	C31H38N2O7	550.267901	NA	MeJP	NA	NA
+PJ004949	SSTTR 	C20H38N8O10	550.2711	NA	PeJP	NA	NA
+7331	celiac sprue gluten epitope from gamma-gliadin	QLPFPQQPF	550.275	MH2+	Inhouse_peptide	NA	peptide
+PJ004950	GSPKY 	C25H38N6O8	550.2751	NA	PeJP	NA	NA
+MJ079962	1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3,8-Diangeloyl, 5,9-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079963	1,10-Epoxy-11-germacrene-3,4,5,8,9-pentol, 3-Angeloyl, 8-(3-methyl-2-butenoyl), 5,9-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079964	2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 7?,8?-Epoxide, 2-butanoyl, 12,14-di-Ac, Me ester 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079965	2,3,5,12,14,20-Hexahydroxy-6,22-dioxostigmast-7-en-26,28-olide 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079966	3,14,16-Trihydroxy-19-oxo-5?H-card-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079967	3,14,17,19-Tetrahydroxycard-20(22)-enolide, 19-Aldehyde, 3-O-D-allomethyloside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079968	3,14,17,19-Tetrahydroxycard-20(22)-enolide, 19-Aldehyde, 3-O-?-D-allomethyloside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079969	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079970	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2-Deoxy-?-D-arabino-hexopyranoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079971	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2-Deoxy-?-D-xylo-hexopyranoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079972	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079973	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-D-glucopyranoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079974	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079975	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Rhamnopyranoside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079976	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079977	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079978	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 6,12-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079979	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079980	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2S-Methylbutanoyl), 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079981	4,18-Epoxy-3,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylbutanoyl), 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079982	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-(2-Methylbutanoyl), 11,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079983	4,18:11,16:15,16-Triepoxy-1,3,6,19-clerodanetetrol, 1-Angeloyl, 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079984	4,18:11,16:15,16-Triepoxy-1,3,6,19-clerodanetetrol, 1-Tigloyl, 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079985	4,18:11,16:15,16-Triepoxy-14-clerodene-1,3,6,19-tetrol, 1-(2-Methylbutanoyl), 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079986	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Methylbutanoyl), 6,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079987	4,18:8,13-Diepoxy-6,7,19-trihydroxy-15,16-clerodanolide, 6-(2S-Methylbutanoyl), 7,19-di-Ac 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079988	7,8-Epoxy-3,12,14-trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079989	Erysium Aglucone; O-(6-Deoxyglucoside) 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079990	Gomphoside; 15?,17?-Dihydroxy 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079991	Gomphoside; 15?,17?-Dihydroxy 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079992	Gomphoside; 3'-Epimer, 15?,17?-dihydroxy 	C29H42O10	550.277797	NA	MeJP	NA	NA
+MJ079993	Gomphoside; 4'?,15?-Dihydroxy 	C29H42O10	550.277797	NA	MeJP	NA	NA
+C08843	Adonitoxin	C29H42O10	550.2778	NA	KEGG	NA	NA
+C08850	Aspecioside	C29H42O10	550.2778	NA	KEGG	NA	NA
+C08858	Convallatoxin	C29H42O10	550.2778	NA	KEGG	NA	NA
+PJ004951	ATTKM 	C22H42N6O8S	550.2785	NA	PeJP	NA	NA
+MJ079994	Aphelandrine, N6-Acetoxy 	C30H38N4O6	550.279134	NA	MeJP	NA	NA
+PJ004952	VNRY 	C24H38N8O7	550.2864	NA	PeJP	NA	NA
+PJ004953	AKFW 	C29H38N6O5	550.2904	NA	PeJP	NA	NA
+MJ079995	4(20),11-Taxadiene-5,9,10,13-tetrol, 5-Cinnamoyl, 9,10-di-Ac 	C33H42O7	550.293053	NA	MeJP	NA	NA
+MJ079996	Plukenetione C 	C33H42O7	550.293053	NA	MeJP	NA	NA
+PJ004954	TTTTK 	C22H42N6O10	550.2963	NA	PeJP	NA	NA
+MJ079997	3,23-Dihydroxy-29-norcycloart-24-en-28-oic acid, 23-Ketone, 3-O-sulfate, 28-Me ester 	C30H46O7S	550.296424	NA	MeJP	NA	NA
+MJ079998	3,23-Dihydroxy-29-norlanosta-8,24-dien-28-oic acid, 23-Ketone, 3-O-sulfate, 28-Me ester 	C30H46O7S	550.296424	NA	MeJP	NA	NA
+PJ004955	GRRY 	C23H38N10O6	550.2976	NA	PeJP	NA	NA
+2661	synthetic fr, of human beta-CN (139-143) ACE inhibitor	PQPIP	550.298	NA	Inhouse_peptide	NA	peptide
+C08307	Hordatine A	C28H38N8O4	550.3016	NA	KEGG	NA	NA
+MJ079999	Rescinnaminol 	C32H42N2O6	550.304287	NA	MeJP	NA	NA
+PJ004956	LQKY 	C26H42N6O7	550.3115	NA	PeJP	NA	NA
+MJ080000	1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 2-Deoxy, 3,9-diangeloyl, 8-(2-methylbutanoyl) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080001	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080002	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080003	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080004	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080005	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-glucopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080006	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080007	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080008	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(2,6-Dideoxy-3-O-methyl-D-ribo-hexopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080009	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(3-O-Methyl-?-D-fucopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080010	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080011	3,7-Dolabelladiene-2,16,18-triol, 16-(3-Hydroxy-3-methylglutaryl), 2,18-di-Ac 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080012	3,8,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside) 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080013	Arriagoside 	C30H46O9	550.314183	NA	MeJP	NA	NA
+MJ080014	Sanjoinine B; 15-Hydroxy, N24-Me 	C31H42N4O5	550.31552	NA	MeJP	NA	NA
+MJ080015	Scutianine H 	C31H42N4O5	550.31552	NA	MeJP	NA	NA
+PJ004957	TKFR 	C25H42N8O6	550.3228	NA	PeJP	NA	NA
+MJ080016	Antibiotic VM 54339 	C34H46O6	550.329439	NA	MeJP	NA	NA
+MJ080017	4,4-Dimethylergosta-7,9(11),24(28)-triene-2,3,12-triol, 12-Me ether, 3-O-sulfate 	C31H50O6S	550.33281	NA	MeJP	NA	NA
+MJ080018	3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-phthalimide, 4-Ac 	C33H46N2O5	550.340672	NA	MeJP	NA	NA
+PJ004958	LKKY 	C27H46N6O6	550.3479	NA	PeJP	NA	NA
+MJ080019	3-Hydroxychol-5-en-24-oic acid, 3-O-?-D-Glucopyranoside, Me ester 	C31H50O8	550.350568	NA	MeJP	NA	NA
+MJ080020	5-Hydroxy-14-oxo-3-cedren-15-oic acid, 4-(9R,10S,16-Trihydroxyhexadecanoyl) 	C31H50O8	550.350568	NA	MeJP	NA	NA
+MJ080021	7,13-Labdadiene-2,3,15-triol, 3-Angeloyl, 2-O-?-L-rhamnopyranoside 	C31H50O8	550.350568	NA	MeJP	NA	NA
+MJ080022	Antibiotic AB 023; Antibiotic AB 023A 	C31H50O8	550.350568	NA	MeJP	NA	NA
+MJ080023	Blancasterol 	C31H50O8	550.350568	NA	MeJP	NA	NA
+MJ080024	Manzamine A, 3,4-Dihydro 	C36H46N4O	550.367162	NA	MeJP	NA	NA
+MJ080025	Manzamine B 	C36H46N4O	550.367162	NA	MeJP	NA	NA
+MJ080026	Manzamine J 	C36H46N4O	550.367162	NA	MeJP	NA	NA
+MJ080027	20,24-Epoxydammarane-3,12,17,25-tetrol, 12-Ac 	C32H54O7	550.386954	NA	MeJP	NA	NA
+MJ080028	Predehydrovenustatriol; 18-Ac 	C32H54O7	550.386954	NA	MeJP	NA	NA
+MJ080029	Raspacionin; 15,21-Dideacetyl, 10,28-dihydro, 10?-acetoxy, 4-ketone 	C32H54O7	550.386954	NA	MeJP	NA	NA
+MJ080030	Haliclotriol B 	C36H54O4	550.40221	NA	MeJP	NA	NA
+MJ080031	Cyclomicrophylline I; 6,7-Dihydro, N-tetra-Me, O16-benzoyl 	C35H54N2O3	550.413443	NA	MeJP	NA	NA
+MJ080032	20-Lycopenal 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080033	4-Keto-?-carotene 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080034	?,?-Caroten-2-one 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080035	?,?-Caroten-2-ol; 2-Ketone 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080036	?,?-Caroten-4-one 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080037	Celaxanthin 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080038	Chlorobactene; 1',2'-Dihydro, 1'-hydroxy 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080039	Echinenone 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080040	Monadoxanthin; 3'-Deoxy 	C40H54O	550.417466	NA	MeJP	NA	NA
+MJ080041	Rhodopinol; 1-Deoxy, 3,4-didehydro, 20-aldehyde 	C40H54O	550.417466	NA	MeJP	NA	NA
+HMDB02890	cis-3-hydroxy-b,e-Caroten-3'-one	C40H54O	550.41748	http://www.hmdb.ca/metabolites/HMDB02890	HMDB	NA	NA
+HMDB02890	cis-3-hydroxy-b,e-Caroten-3'-one	C40H54O	550.41748	HMDB02890	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02890	3-cis-Hydroxy-b,e-Caroten-3'-one	C40H54O	550.41748	NA	HMDB2010	NA	NA
+C08592	Echinenone	C40H54O	550.4175	NA	KEGG	NA	NA
+C15911	Hydroxychlorobactene	C40H54O	550.4175	NA	KEGG	NA	NA
+C15912	Granuliberin R	C40H54O	550.4175	NA	KEGG	NA	NA
+C15913	HA Peptide	C40H54O	550.4175	NA	KEGG	NA	NA
+C13864	1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol	C35H66O4	550.4961	NA	KEGG	NA	NA
+C13865	Transferred to D02591	C35H66O4	550.4961	NA	KEGG	NA	NA
+C13866	Transferred to D02592	C35H66O4	550.4961	NA	KEGG	NA	NA
+MJ080042	Artemoin A 	C35H66O4	550.49611	NA	MeJP	NA	NA
+MJ080043	Artemoin B 	C35H66O4	550.49611	NA	MeJP	NA	NA
+MJ080044	Artemoin C 	C35H66O4	550.49611	NA	MeJP	NA	NA
+MJ080045	Artemoin D 	C35H66O4	550.49611	NA	MeJP	NA	NA
+MJ080046	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Hexadecanoyl 	C35H66O4	550.49611	NA	MeJP	NA	NA
+MJ080047	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Hexadecanoyl 	C35H66O4	550.49611	NA	MeJP	NA	NA
+MJ080048	Octenidine 	C36H62N4	550.497448	NA	MeJP	NA	NA
+MJ080049	Eicosanoic acid; Heptadecyl ester 	C37H74O2	550.568881	NA	MeJP	NA	NA
+MJ080050	1-Octatriacontanol 	C38H78O	550.605267	NA	MeJP	NA	NA
+3579	NA	SIQSQPQAFP	550.7655	MH2+	Inhouse_peptide	NA	peptide
+7067	coeliac toxic peptide	PYPQPQLPY	550.767	MH2+	Inhouse_peptide	NA	peptide
+2633	synthetic fr, of human beta-CN (44-52) ACE inhibitor	FQPQPLIYP	550.7855	MH2+	Inhouse_peptide	NA	peptide
+MJ080051	Bufeniode 	C19H23I2NO2	550.981815	NA	MeJP	NA	NA
+HMDB03369	CDP-glucose	C14H23N3O16P2	551.05536	http://www.hmdb.ca/metabolites/HMDB03369	HMDB	NA	NA
+HMDB03369	CDP-glucose	C14H23N3O16P2	551.05536	HMDB03369	PFEM_hmdb_metabocards_official	NA	NA
+FL7AAGGL0016	Delphinidin 3-(6''-malonylglucoside)	C24H23O15	551.10369	122856-09-1	knapsack	NA	NA
+FL7AECGL0003	6-Hydroxycyanidin 3-(6-malonylglucoside)	C24H23O15	551.10369	356536-38-4	knapsack	NA	NA
+C16301	Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)	C24H23O15	551.1037	NA	KEGG	NA	NA
+MJ080052	Pradimicin P 	C27H21NO12	551.106375	NA	MeJP	NA	NA
+C06778	11-O-Demethylpradimicinone II	C27H21NO12	551.1064	NA	KEGG	NA	NA
+MJ080053	Bulgecin A 	C16H29N3O14S2	551.109094	NA	MeJP	NA	NA
+PJ004959	SCCCH 	C18H29N7O7S3	551.1291	NA	PeJP	NA	NA
+PJ004960	PCCDD 	C19H29N5O10S2	551.1356	NA	PeJP	NA	NA
+MJ080054	N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate 	C21H26N7O9P	551.152962	NA	MeJP	NA	NA
+C07028	N-Acetyl-N6,N6,O-tridemethylpuromycin-5'-phosphate	C21H26N7O9P	551.153	NA	KEGG	NA	NA
+PJ004961	GDDDM 	C19H29N5O12S	551.1534	NA	PeJP	NA	NA
+PJ004962	SCNND 	C18H29N7O11S	551.1646	NA	PeJP	NA	NA
+PJ004963	CDEW 	C23H29N5O9S	551.1686	NA	PeJP	NA	NA
+PJ004964	SSDDE 	C19H29N5O14	551.1711	NA	PeJP	NA	NA
+PJ004965	SPCDM 	C20H33N5O9S2	551.172	NA	PeJP	NA	NA
+PJ004966	GCNQM 	C19H33N7O8S2	551.1832	NA	PeJP	NA	NA
+MJ080055	Bosentan 	C27H29N5O6S	551.183854	NA	MeJP	NA	NA
+MJ080056	Aureonuclemycin; O9-Me, O4-(2-hydroxymethyl-2E-butenoyl), Me ester 	C23H29N5O11	551.186356	NA	MeJP	NA	NA
+PJ004967	GSEEM 	C20H33N5O11S	551.1898	NA	PeJP	NA	NA
+PJ004968	APCMM 	C21H37N5O6S3	551.1906	NA	PeJP	NA	NA
+PJ004969	GCCNR 	C18H33N9O7S2	551.1945	NA	PeJP	NA	NA
+MJ080057	Ipecosidic acid 	C26H33NO12	551.200275	NA	MeJP	NA	NA
+MJ080058	Simmondsin; 2'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C26H33NO12	551.200275	NA	MeJP	NA	NA
+PJ004970	SSNNM 	C19H33N7O10S	551.201	NA	PeJP	NA	NA
+PJ004971	SEMW 	C24H33N5O8S	551.205	NA	PeJP	NA	NA
+CJpos0820	Phenylacetylglutamine [(2M+Na)]+ (13C)	C2513CH32N4NaO8	551.206775	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0820	Phenylacetylglutamine [(2M+Na)]+ (13C)	C2513CH32N4NaO8	551.206775	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ004972	SSTEE 	C20H33N5O13	551.2075	NA	PeJP	NA	NA
+PJ004973	AAEMM 	C21H37N5O8S2	551.2084	NA	PeJP	NA	NA
+PJ004974	GSDHH 	C21H29N9O9	551.2089	NA	PeJP	NA	NA
+MJ080059	Saredutant 	C31H35Cl2N3O2	551.210632	NA	MeJP	NA	NA
+MJ080060	Astin I 	C25H34ClN5O7	551.214676	NA	MeJP	NA	NA
+MJ080061	8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol, O10-?-Xylopyranoside 	C30H33NO9	551.215531	NA	MeJP	NA	NA
+MJ080062	8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol; 8?-form, O10-?-Xylopyranoside 	C30H33NO9	551.215531	NA	MeJP	NA	NA
+MJ080063	Jacpaniculine 	C30H33NO9	551.215531	NA	MeJP	NA	NA
+MJ080064	Neoharringtonine; 1''S-Hydroxy 	C30H33NO9	551.215531	NA	MeJP	NA	NA
+MJ080065	Asperlicin; 1'-Hydroxy 	C31H29N5O5	551.216869	NA	MeJP	NA	NA
+PJ004975	GSSSSQ 	C19H33N7O12	551.2187	NA	PeJP	NA	NA
+PJ004976	DMMR 	C20H37N7O7S2	551.2196	NA	PeJP	NA	NA
+PJ004977	PCFW 	C28H33N5O5S	551.2203	NA	PeJP	NA	NA
+PJ004978	GSPEY 	C24H33N5O10	551.2228	NA	PeJP	NA	NA
+PJ004979	CLMW 	C25H37N5O5S2	551.2236	NA	PeJP	NA	NA
+2732	regulating the frequency of heart muscles contraction peptide	GWFGGADWHA	551.22395	MH2+	Inhouse_peptide	NA	peptide
+PJ004980	ATTEM 	C21H37N5O10S	551.2261	NA	PeJP	NA	NA
+PJ004981	QMHH 	C22H33N9O6S	551.2275	NA	PeJP	NA	NA
+PJ004982	NQQY 	C23H33N7O9	551.234	NA	PeJP	NA	NA
+PJ004983	SSCQK 	C20H37N7O9S	551.2374	NA	PeJP	NA	NA
+PJ004984	SPYW 	C28H33N5O7	551.238	NA	PeJP	NA	NA
+PJ004985	CHHR 	C21H33N11O5S	551.2387	NA	PeJP	NA	NA
+PJ004986	AAPMY 	C25H37N5O7S	551.2414	NA	PeJP	NA	NA
+PJ004987	TTTTE 	C21H37N5O12	551.2439	NA	PeJP	NA	NA
+PJ004988	GTLMM 	C22H41N5O7S2	551.2448	NA	PeJP	NA	NA
+PJ004989	GTTHH 	C22H33N9O8	551.2452	NA	PeJP	NA	NA
+MJ080066	Alkaloid GB11; 13?-Benzoyloxy 	C31H37NO8	551.251917	NA	MeJP	NA	NA
+PJ004990	APPMH 	C24H37N7O6S	551.2526	NA	PeJP	NA	NA
+PJ004991	GSSSSK 	C20H37N7O11	551.2551	NA	PeJP	NA	NA
+PJ004992	ACCKK 	C21H41N7O6S2	551.256	NA	PeJP	NA	NA
+PJ004993	LQEY 	C25H37N5O9	551.2591	NA	PeJP	NA	NA
+PJ004994	GALEY 	C25H37N5O9	551.2592	NA	PeJP	NA	NA
+PJ004995	STTLM 	C22H41N5O9S	551.2625	NA	PeJP	NA	NA
+PJ004996	KMHH 	C23H37N9O5S	551.2639	NA	PeJP	NA	NA
+7347	celiac sprue gluten epitope found in glutenin	QQPIQQQPH	551.268	MH2+	Inhouse_peptide	NA	peptide
+PJ004997	VDRY 	C24H37N7O8	551.2704	NA	PeJP	NA	NA
+PJ004998	SSCKK 	C21H41N7O8S	551.2738	NA	PeJP	NA	NA
+PJ004999	ALYW 	C29H37N5O6	551.2744	NA	PeJP	NA	NA
+PJ005000	AALMF 	C26H41N5O6S	551.2778	NA	PeJP	NA	NA
+PJ005001	GPNKH 	C23H37N9O7	551.2816	NA	PeJP	NA	NA
+MJ080067	Lemonomycin 	C27H41N3O9	551.284279	NA	MeJP	NA	NA
+PJ005002	PLHW 	C28H37N7O5	551.2856	NA	PeJP	NA	NA
+PJ005003	VMFR 	C25H41N7O5S	551.289	NA	PeJP	NA	NA
+PJ005004	LKEY 	C26H41N5O8	551.2955	NA	PeJP	NA	NA
+EUR905	Lyso PE 22:4 [M+Na]+	C27H48NO7P	551.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR905	Lyso PE 22:4 [M+Na]+	C27H48NO7P	551.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR905	Lyso PE 22:4 [M+Na]+	C27H48NO7P	551.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR905	Lyso PE 22:4 [M+Na]+	C27H48NO7P	551.298788	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005005	TLRY 	C25H41N7O7	551.3068	NA	PeJP	NA	NA
+MJ080068	Veracevine; O3-Ac 	C29H45NO9	551.309432	NA	MeJP	NA	NA
+EUR717	LysoPE(20:2) [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR872	Lyso PE 20:2 [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR717	LysoPE(20:2) [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR872	Lyso PE 20:2 [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR717	LysoPE(20:2) [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR872	Lyso PE 20:2 [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR717	LysoPE(20:2) [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR872	Lyso PE 20:2 [M+FA-H]-	C25H48NO7P	551.321722	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005006	GLLLH 	C26H45N7O6	551.3432	NA	PeJP	NA	NA
+MJ080069	Browniine; O14-(2-Methylbutanoyl) 	C30H49NO8	551.345817	NA	MeJP	NA	NA
+MJ080070	O-Deethyltalaroconvolutin C; 4'-Et ether 	C34H49NO5	551.361073	NA	MeJP	NA	NA
+PJ005007	PPLLL 	C28H49N5O6	551.3683	NA	PeJP	NA	NA
+MJ080071	Juvenimicin B1; 20-Deoxy 	C31H53NO7	551.382203	NA	MeJP	NA	NA
+MJ080072	Aliskiren 	C30H53N3O6	551.393436	NA	MeJP	NA	NA
+HMDB10390	LysoPC(20:0)	C28H58NO7P	551.395081	NA	HMDB2010	NA	NA
+MJ080073	1-O-Octadecylglycero-3-phosphocholine, 2-Ac 	C28H58NO7P	551.395089	NA	MeJP	NA	NA
+EUR739	Lyso PC 20:0 monoisotopic mass 	C28H58NO7P	551.395092	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR739	Lyso PC 20:0 monoisotopic mass 	C28H58NO7P	551.395092	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR739	Lyso PC 20:0 monoisotopic mass 	C28H58NO7P	551.395092	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR739	Lyso PC 20:0 monoisotopic mass 	C28H58NO7P	551.395092	masses lipides attendues	Inhousejuil11	NA	NA
+MJ080074	Dosergoside 	C34H53N3O3	551.408692	NA	MeJP	NA	NA
+MJ080075	3-Methyl-2-[6-(3-methyl-2-butenyl)-1H-indol-3-yl]-1,3-butanediol, O2'-(9Z-Octadecenoyl) 	C36H57NO3	551.433844	NA	MeJP	NA	NA
+MJ080076	N-[14-Methyl-3-(13-methyl-4-tetradecenoyloxy)pentadecanoyl]glycine 	C33H61NO5	551.454974	NA	MeJP	NA	NA
+7505	ACE inhibitor	SKVYPFPGPI	551.793	MH2+	Inhouse_peptide	NA	peptide
+MJ080077	3,3',4',5,5',7-Hexahydroxyflavanone, 3-O-(3,4,5-Trihydroxybenzoyl), 3'-sulfate 	C22H16O15S	552.02099	NA	MeJP	NA	NA
+FL4DAGNSS001	Myricatin	C22H16O15S	552.02099	87338-96-3	knapsack	NA	NA
+MJ080078	?-Rubromycin; 3,4-Epoxy, 3'-hydroxy 	C26H16O14	552.054005	NA	MeJP	NA	NA
+MJ080079	?-Rubromycin; 3'-Hydroxy 	C27H20O13	552.09039	NA	MeJP	NA	NA
+MJ080080	Theaflagallin; 3-Epimer, 3-O-(3,4,5-trihydroxybenzoyl) 	C27H20O13	552.09039	NA	MeJP	NA	NA
+MJ080081	8,8-Bi(4',5,7-trihydroxyflavone); 4'-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080082	8,8-Bi(4',5,7-trihydroxyflavone); 7-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080083	Agathisflavone; 7''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080084	Agathisflavone; 7-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080085	Amentoflavone; 4'''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080086	Amentoflavone; 4'-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080087	Amentoflavone; 7''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080088	Amentoflavone; 7-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080089	Hinokiflavone; 4'''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080090	Hinokiflavone; 7''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080091	Hinokiflavone; 7-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080092	Ochnaflavone; 4'-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080093	Ochnaflavone; 7''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080094	Robustaflavone; 4'''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080095	Robustaflavone; 7''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+MJ080096	Taiwaniaflavone; 7''-Me ether 	C31H20O10	552.105646	NA	MeJP	NA	NA
+FL3FAACS0032	Vitexin 2''-p-hydroxybenzoate	C28H24O12	552.12677	10576-90-6	knapsack	NA	NA
+FL3FACGS0081	Luteolin 7-(6''-p-benzoyglucoside)	C28H24O12	552.12677	-	knapsack	NA	NA
+MJ080097	Astragalin; O''-Benzoyl 	C28H24O12	552.126776	NA	MeJP	NA	NA
+MJ080098	Furfuric acid 	C28H24O12	552.126776	NA	MeJP	NA	NA
+MJ080099	Salvianolic acid I; 8''Z-Isomer, 8''-Me ester 	C28H24O12	552.126776	NA	MeJP	NA	NA
+MJ080100	Vitexin; 2''-O-(4-Hydroxybenzoyl) 	C28H24O12	552.126776	NA	MeJP	NA	NA
+MJ080101	Floribundone 2 	C32H24O9	552.142032	NA	MeJP	NA	NA
+FL5FEGGS0001	6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside	C25H28O14	552.1479	67963-63-7	knapsack	NA	NA
+FL5FELGS0001	5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside	C25H28O14	552.1479	71827-15-1	knapsack	NA	NA
+MJ080102	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080103	1,3,7-Trihydroxyxanthone; 3-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080104	1,3,7-Trihydroxyxanthone; 3-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080105	1,3,7-Trihydroxyxanthone; 7-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080106	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',6,7-Tetra-Me ether, 5'-O-?-D-glucopyranoside 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080107	3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-D-Xylopyranosyl-(1?4)-?-D-arabinopyranoside] 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080108	3,3',4',5,5',6,7-Heptahydroxyflavone; 3,3',5',6-Tetra-Me ether, 7-O-?-D-glucopyranoside 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080109	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',5,6,8-Tetra-Me ether, 3-O-?-D-glucopyranoside 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080110	Clitoriacetal; 11-O-?-D-Glucopyranoside 	C25H28O14	552.147905	NA	MeJP	NA	NA
+MJ080111	Ibotalactone A; 3''-Hydroxy 	C25H28O14	552.147905	NA	MeJP	NA	NA
+PJ005008	SCNDD 	C18H28N6O12S	552.1486	NA	PeJP	NA	NA
+PJ005009	PCCCQ 	C19H32N6O7S3	552.1495	NA	PeJP	NA	NA
+FL3FAACC0001	Cucumerin B	C29H28O11	552.16316	613254-11-8	knapsack	NA	NA
+FL3FAACC0002	Cucumerin A;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one	C29H28O11	552.16316	613253-63-7	knapsack	NA	NA
+MJ080112	2,5-Dihydroxybenzyl alcohol; 2-O-[6-O-Benzoyl-2-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside] 	C29H28O11	552.163161	NA	MeJP	NA	NA
+PJ005010	GCNEM 	C19H32N6O9S2	552.1672	NA	PeJP	NA	NA
+PJ005011	GGGCEM 	C19H32N6O9S2	552.1673	NA	PeJP	NA	NA
+MJ080113	Forsythide; 11-O-?-D-Glucopyranosyl ester 	C22H32O16	552.169034	NA	MeJP	NA	NA
+MJ080114	Ranunculoside 	C22H32O16	552.169034	NA	MeJP	NA	NA
+MJ080115	Kinamycin F; 2,4-Bis-O-(2-methylpropanoyl), 1-Ac 	C28H28N2O10	552.174395	NA	MeJP	NA	NA
+PJ005012	GCCDR 	C18H32N8O8S2	552.1785	NA	PeJP	NA	NA
+C08087	Delavirdine mesylate	C22H28N6O3S	552.1825	NA	KEGG	NA	NA
+PJ005013	CNMW 	C23H32N6O6S2	552.1825	NA	PeJP	NA	NA
+MJ080116	1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-?-D-Glucopyranoside, 3-O-?-L-rhamnopyranoside 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080117	10-Hydroxyloganic acid; 10-O-(4-Hydroxycinnamoyl)(E-), Me ester 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080118	3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone; 2'-O-[Xylosyl-(1??)-?-D-glucopyranoside] 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080119	5-Hydroxysecologanol; 7-O-(4-Hydroxycinnamoyl) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080120	6-Hydroxyloganin; 7-O-(4-Hydroxycinnamoyl)(E-) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080121	Grandifloroside; 3'-Me ether 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080122	Grandifloroside; Me ester 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080123	Haenkeanoside 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080124	Harpagide; 6'-O-(4-Hydroxycinnamoyl)(E-), 8-Ac 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080125	Harpagide; 6'-O-(4-Hydroxycinnamoyl)(Z-), 8-Ac 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080126	Lamiide; 7-Cinnamoyl(E-) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080127	Lamiide; 7-Cinnamoyl(Z-) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080128	Loganic acid; 2'-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080129	Loganic acid; 7-(3,4-Dihydroxycinnamoyl)(E-), Me ester 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080130	Loganic acid; 7-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080131	Loganic acid; 7-O-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080132	Mussaenosidic acid; 6'-(3,4-Dihydroxycinnamoyl), Me ester 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080133	Neophellamuretin, 2'',3''-Dihydro, 2'',3''-dihydroxy, 7-O-?-D-glucopyranoside 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080134	Officinosidic acid 	C26H32O13	552.184291	NA	MeJP	NA	NA
+MJ080135	Syringaresinol, 5,5'-Di-O-de-Me, 4-O-?-D-glucopyranoside 	C26H32O13	552.184291	NA	MeJP	NA	NA
+PJ005014	SSNDM 	C19H32N6O11S	552.185	NA	PeJP	NA	NA
+PJ005015	PCCCK 	C20H36N6O6S3	552.1859	NA	PeJP	NA	NA
+MJ080136	Elisartan 	C27H29ClN6O5	552.188795	NA	MeJP	NA	NA
+MJ080137	Arctignan C 	C30H32O10	552.199547	NA	MeJP	NA	NA
+MJ080138	Herpetrione 	C30H32O10	552.199547	NA	MeJP	NA	NA
+MJ080139	Lappaol C; 7''-Ketone 	C30H32O10	552.199547	NA	MeJP	NA	NA
+MJ080140	Saussol 	C30H32O10	552.199547	NA	MeJP	NA	NA
+MJ080141	Thielavin D 	C30H32O10	552.199547	NA	MeJP	NA	NA
+MJ080142	Trivaric acid 	C30H32O10	552.199547	NA	MeJP	NA	NA
+PJ005016	GSTCW 	C23H32N6O8S	552.2003	NA	PeJP	NA	NA
+PJ005017	ASSSSD 	C19H32N6O13	552.2027	NA	PeJP	NA	NA
+PJ005018	GSSSSE 	C19H32N6O13	552.2028	NA	PeJP	NA	NA
+PJ005019	GSQMM 	C20H36N6O8S2	552.2036	NA	PeJP	NA	NA
+MJ080143	Trivalvone 	C36H28N2O4	552.204907	NA	MeJP	NA	NA
+MJ080144	3,7-Dihydroxycholan-24-oic acid, 3,7-Disulfate 	C24H40O10S2	552.206288	NA	MeJP	NA	NA
+HMDB00545	Chenodeoxycholic acid disulfate	C24H40O10S2	552.206299	NA	HMDB2010	NA	NA
+HMDB00659	Deoxycholic acid disulfate	C24H40O10S2	552.206299	NA	HMDB2010	NA	NA
+HMDB00659	Deoxycholic acid disulfate	C24H40O10S2	552.2063	http://www.hmdb.ca/metabolites/HMDB00659	HMDB	NA	NA
+HMDB00659	Deoxycholic acid disulfate	C24H40O10S2	552.2063	HMDB00659	PFEM_hmdb_metabocards_official	NA	NA
+PJ005020	EEEF 	C24H32N4O11	552.2068	NA	PeJP	NA	NA
+PJ005021	EMHH 	C22H32N8O7S	552.2115	NA	PeJP	NA	NA
+MJ080145	Haterumalide NE; 3-Ac, 2-methylene-3-oxobutyl ester 	C28H37ClO9	552.21261	NA	MeJP	NA	NA
+MJ080146	5,7-Dihydroxy-6-(4-hydroxy-3-methyl-1-oxobutyl)-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one, 4'-O-Cinnamoyl 	C34H32O7	552.214803	NA	MeJP	NA	NA
+MJ080147	Iryantherin D 	C34H32O7	552.214803	NA	MeJP	NA	NA
+PJ005022	GSCMR 	C19H36N8O7S2	552.2149	NA	PeJP	NA	NA
+PJ005023	CHFF 	C27H32N6O5S	552.2155	NA	PeJP	NA	NA
+MJ080148	Ozemycin C 	C23H32N6O10	552.217991	NA	MeJP	NA	NA
+PJ005024	SSSSW 	C23H32N6O10	552.218	NA	PeJP	NA	NA
+C12937	Clocapramine dihydrochloride	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12938	Transferred to D01490	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12939	Transferred to D01491	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12940	Transferred to D01492	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12941	Transferred to D01493	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12942	Paraformaldehyde	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12943	Transferred to D01495	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12944	Transferred to D01496	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+C12945	Transferred to D01497	C28H37ClN4O	552.2189	NA	KEGG	NA	NA
+MJ080149	15,16-Epoxy-2,12-dihydroxy-3,13(16),14-clerodatrien-17,6-olid-18-oic acid, 12-O-?-D-Glucopyranoside, Me ester 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080150	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080151	2,4-Dihydroxy-10(14),11(13)-guaiadien-12,8-olide, 4-O-(2,6-Di-O-acetyl-?-D-glucopyranoside), 2-Ac 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080152	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 5'-Methoxy, 3',5-di-Me ether, 9-O-?-D-glucopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080153	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-L-arabinopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080154	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-xylopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080155	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-xyloside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080156	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-xylopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080157	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-xylopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080158	3,3',4,4',5,9,9'-Heptahydroxy-2,7'-cyclolignan, 3,3',5-Tri-Me ether, 9'-O-?-D-glucopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080159	3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether, 9-O-?-D-glucopyranoside 	C27H36O12	552.220676	NA	MeJP	NA	NA
+MJ080160	Bruceanic acid A 	C27H36O12	552.220676	NA	MeJP	NA	NA
+PJ005025	SSTQM 	C20H36N6O10S	552.2214	NA	PeJP	NA	NA
+PJ005026	GPNEH 	C22H32N8O9	552.2293	NA	PeJP	NA	NA
+PJ005027	SSTCR 	C19H36N8O9S	552.2326	NA	PeJP	NA	NA
+PJ005028	GQYW 	C27H32N6O7	552.2333	NA	PeJP	NA	NA
+MJ080161	1,2,3,4,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2-Ac 	C31H36O9	552.235932	NA	MeJP	NA	NA
+MJ080162	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 6-Ac 	C31H36O9	552.235932	NA	MeJP	NA	NA
+MJ080163	2,7,8,11-Tetrahydroxy-1,15-isopimaradiene-3,14-dione, 11-Benzoyl, 2,7-di-Ac 	C31H36O9	552.235932	NA	MeJP	NA	NA
+MJ080164	2-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 3,4-dibenzyl 	C31H36O9	552.235932	NA	MeJP	NA	NA
+MJ080165	Dysoxylin; Tigloyl 	C31H36O9	552.235932	NA	MeJP	NA	NA
+MJ080166	Gomisin Q; 7-Benzoyl 	C31H36O9	552.235932	NA	MeJP	NA	NA
+MJ080167	Phomoidride B 	C31H36O9	552.235932	NA	MeJP	NA	NA
+PJ005029	QQMF 	C24H36N6O7S	552.2366	NA	PeJP	NA	NA
+PJ005030	GGAAMF 	C24H36N6O7S	552.2367	NA	PeJP	NA	NA
+PJ005031	GSSTTT 	C20H36N6O12	552.2391	NA	PeJP	NA	NA
+PJ005032	GSKMM 	C21H40N6O7S2	552.24	NA	PeJP	NA	NA
+PJ005033	LEEY 	C25H36N4O10	552.2432	NA	PeJP	NA	NA
+PJ005034	PNHW 	C26H32N8O6	552.2445	NA	PeJP	NA	NA
+MJ080168	Pithomycolide 	C30H36N2O8	552.247166	NA	MeJP	NA	NA
+PJ005035	CQFR 	C23H36N8O6S	552.2479	NA	PeJP	NA	NA
+3559	heparin-binding peptide	APRANVAWCT	552.25045	MH2+	Inhouse_peptide	NA	peptide
+3576	heparin-binding peptide	APAANVRWCT	552.25045	MH2+	Inhouse_peptide	NA	peptide
+PJ005036	NKEY 	C24H36N6O9	552.2544	NA	PeJP	NA	NA
+MJ080169	1-(3,4,5-Trihydroxyphenyl)-1-(2,3,4-trihydroxy-6-propylphenyl)propane, 2'',3',4'',5'-Tetra-Me ether, 3''-O-?-D-glucopyranoside 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080170	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 2,7,9,13-Tetra-Ac 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080171	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,14-Tetra-Ac 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080172	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 6,7,9,14-Tetra-Ac 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080173	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac, 18-O-?-D-glucopyranosyl ester 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080174	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 16-Deoxo,15-ketone (lactone), 7-Ac, 18-O-?-D-glucopyranosyl ester 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080175	8,17-Epoxy-2,9,11,12,14-pentahydroxy-5-briaren-18,7-olide, 2-Butanoyl, 9,14-di-Ac 	C28H40O11	552.257062	NA	MeJP	NA	NA
+MJ080176	Nigakihemiacetal B; 16?-O-?-D-Glucopyranoside 	C28H40O11	552.257062	NA	MeJP	NA	NA
+PJ005037	SSTKM 	C21H40N6O9S	552.2578	NA	PeJP	NA	NA
+PJ005038	SQRY 	C23H36N8O8	552.2656	NA	PeJP	NA	NA
+PJ005039	GKYW 	C28H36N6O6	552.2697	NA	PeJP	NA	NA
+MJ080177	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Cinnamoyl, 11-Ac 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080178	Detigloylswietenine; 6-Deoxy, 3-tigloyl 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080179	Gracigenin 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080180	Hyperbrasilol B 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080181	Isohyperbrasilol B 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080182	Lathyrol; 6?,17-Epoxide, 3-(phenylacetyl), 5,15-di-Ac 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080183	Saucerneol; 4-Me ether 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080184	Swietenolide; 6-Deoxy, 3-tigloyl 	C32H40O8	552.272318	NA	MeJP	NA	NA
+MJ080185	Tetronolide 	C32H40O8	552.272318	NA	MeJP	NA	NA
+7309	celiac sprue gluten epitope from gamma-gliadin	IFPQPQQTF	552.2725	MH2+	Inhouse_peptide	NA	peptide
+PJ005040	QKMF 	C25H40N6O6S	552.273	NA	PeJP	NA	NA
+MJ080186	Canthiumine 	C33H36N4O4	552.273655	NA	MeJP	NA	NA
+C10000	Canthiumine	C33H36N4O4	552.2737	NA	KEGG	NA	NA
+PJ005041	GSPHR 	C22H36N10O7	552.2769	NA	PeJP	NA	NA
+PJ005042	LHHF 	C27H36N8O5	552.2809	NA	PeJP	NA	NA
+MJ080187	Manumycin D 	C31H40N2O7	552.283551	NA	MeJP	NA	NA
+PJ005043	CKFR 	C24H40N8O5S	552.2843	NA	PeJP	NA	NA
+MJ080188	Atroxigenin 	C30H45ClO7	552.285381	NA	MeJP	NA	NA
+PJ005044	DKKY 	C25H40N6O8	552.2908	NA	PeJP	NA	NA
+C08848	Antioside	C29H44O10	552.2934	NA	KEGG	NA	NA
+C08851	Bipindoside	C29H44O10	552.2934	NA	KEGG	NA	NA
+C08874	Lokundjoside	C29H44O10	552.2934	NA	KEGG	NA	NA
+C17523	Panogenin-3-o-alpha-L-rhamnopyranoside	C29H44O10	552.2934	NA	KEGG	NA	NA
+MJ080189	3,11,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080190	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080191	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080192	3,14,16,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080193	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080194	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080195	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080196	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-glucopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080197	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-talopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080198	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080199	3,5,12,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080200	3,5,12,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080201	3,5,12,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-mannopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080202	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080203	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080204	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080205	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Allopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080206	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080207	4,18:11,16:15,16-Triepoxy-1,3,6,19-clerodanetetrol, 1-(2S-Methylbutanoyl), 6,19-di-Ac 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080208	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 3-(2-methylbutanoyl), 6,19-di-Ac 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080209	4,18:11,16:15,16-Triepoxy-2,6,15,19-clerodanetetrol, 2-(2-Methylbutanoyl), 6,19-di-Ac 	C29H44O10	552.293447	NA	MeJP	NA	NA
+MJ080210	Ornithogalum Substance C 	C29H44O10	552.293447	NA	MeJP	NA	NA
+PJ005045	SKRY 	C24H40N8O7	552.302	NA	PeJP	NA	NA
+MJ080211	Hedaquinium(2+); Dichloride 	C34H46Cl2N2	552.303804	NA	MeJP	NA	NA
+MJ080212	Antibiotic SB 291071; Homologue (R = -C11H21) 	C28H44N2O9	552.304681	NA	MeJP	NA	NA
+MJ080213	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 12-Benzoyl, 11-(2-methylbutanoyl) 	C33H44O7	552.308703	NA	MeJP	NA	NA
+MJ080214	Kijanolide 	C33H44O7	552.308703	NA	MeJP	NA	NA
+MJ080215	Vilasinin; 1-Tigloyl, 3-Ac 	C33H44O7	552.308703	NA	MeJP	NA	NA
+MJ080216	Vilasinin; 3-Tigloyl, 1-Ac 	C33H44O7	552.308703	NA	MeJP	NA	NA
+PJ005046	KKMF 	C26H44N6O5S	552.3094	NA	PeJP	NA	NA
+MJ080217	3',4'-Dideoxykanamycin B; N1-(4-Amino-2-hydroxybutanoyl) 	C22H44N6O10	552.311891	NA	MeJP	NA	NA
+HMDB04309	Triterpenoid	C30H48O7S	552.31207	http://www.hmdb.ca/metabolites/HMDB04309	HMDB	NA	NA
+HMDB04309	Triterpenoid	C30H48O7S	552.31207	HMDB04309	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04309	Triterpenoid	C30H48O7S	552.312073	NA	HMDB2010	NA	NA
+MJ080218	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-Sulfate 	C30H48O7S	552.312074	NA	MeJP	NA	NA
+MJ080219	3,23-Dihydroxy-29-norcycloart-24-en-28-oic acid, 3-O-Sulfate, 28-Me ester 	C30H48O7S	552.312074	NA	MeJP	NA	NA
+MJ080220	3,23-Dihydroxy-29-norlanosta-8,24-dien-28-oic acid, 3-O-Sulfate, 28-Me ester 	C30H48O7S	552.312074	NA	MeJP	NA	NA
+PJ005047	LQHR 	C23H40N10O6	552.3133	NA	PeJP	NA	NA
+MJ080221	Batrachotoxinin A; O20-2,4-Dimethyl-3-pyrrolecarboxylate, O3-Me 	C32H44N2O6	552.319937	NA	MeJP	NA	NA
+MJ080222	Batrachotoxinin A; O20-2-Ethyl-4-methyl-3-pyrrolecarboxylate 	C32H44N2O6	552.319937	NA	MeJP	NA	NA
+MJ080223	Toxiferine I; Bis(deoxy), di-N-de-Me 	C38H40N4	552.325297	NA	MeJP	NA	NA
+PJ005048	PPVLQ 	C26H44N6O7	552.3272	NA	PeJP	NA	NA
+HMDB02513	Lithocholate 3-O-glucuronide	C30H48O9	552.32983	http://www.hmdb.ca/metabolites/HMDB02513	HMDB	NA	NA
+HMDB02513	Lithocholate 3-O-glucuronide	C30H48O9	552.32983	HMDB02513	PFEM_hmdb_metabocards_official	NA	NA
+MJ080224	6,13-Epoxy-8-eunicellene-2,3,4,11,12-pentol, 2,12-Dibutanoyl, 3-Ac 	C30H48O9	552.329833	NA	MeJP	NA	NA
+MJ080225	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-(2-methylpropenoyl), 2-O-fucopyranoside 	C30H48O9	552.329833	NA	MeJP	NA	NA
+MJ080226	Fluorin 	C30H48O9	552.329833	NA	MeJP	NA	NA
+HMDB02513	Lithocholate 3-O-glucuronide	C30H48O9	552.329834	NA	HMDB2010	NA	NA
+MJ080227	Discarine G 	C31H44N4O5	552.33117	NA	MeJP	NA	NA
+MJ080228	Pandamine 	C31H44N4O5	552.33117	NA	MeJP	NA	NA
+MJ080229	Sanjoinine G1 	C31H44N4O5	552.33117	NA	MeJP	NA	NA
+C10012	Pandamine	C31H44N4O5	552.3312	NA	KEGG	NA	NA
+PJ005049	APPLR 	C25H44N8O6	552.3384	NA	PeJP	NA	NA
+MJ080230	Deacylbengazole C; O10-(13-Methylpentadecanoyl) 	C29H48N2O8	552.341066	NA	MeJP	NA	NA
+MJ080231	Deacylbengazole C; O10-Hexadecanoyl 	C29H48N2O8	552.341066	NA	MeJP	NA	NA
+MJ080232	3,14,22,25-Tetrahydroxycholest-7-en-6-one, 25-Benzoyl 	C34H48O6	552.345089	NA	MeJP	NA	NA
+MJ080233	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro 	C34H48O6	552.345089	NA	MeJP	NA	NA
+MJ080234	Milbemycin IV; 5-Ketone 	C34H48O6	552.345089	NA	MeJP	NA	NA
+MJ080235	Spirostane-2,3,6-triol, 6-Benzoyl 	C34H48O6	552.345089	NA	MeJP	NA	NA
+PJ005050	LKHR 	C24H44N10O5	552.3496	NA	PeJP	NA	NA
+C00373	Elastin	C27H48N6O6	552.3635	NA	KEGG	NA	NA
+C00374	Heparin	C27H48N6O6	552.3635	NA	KEGG	NA	NA
+C00375	Primary amine	CH4NR	552.3635	NA	KEGG	NA	NA
+PJ005051	PPVLK 	C27H48N6O6	552.3636	NA	PeJP	NA	NA
+MJ080236	1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid 	C31H52O8	552.366218	NA	MeJP	NA	NA
+MJ080237	7-Labdene-2,3,15-triol, 3-Angeloyl, 2-O-?-fucopyranoside 	C31H52O8	552.366218	NA	MeJP	NA	NA
+MJ080238	7-Labdene-2,3,15-triol, 3-Angeloyl, 2-O-?-L-rhamnopyranoside 	C31H52O8	552.366218	NA	MeJP	NA	NA
+MJ080239	Pregnane-3,8,12,14,17,20-hexol, 12,20-Bis(3-methylbutanoyl) 	C31H52O8	552.366218	NA	MeJP	NA	NA
+MJ080240	3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-(3-methyl-2-butenoyl) 	C35H52O5	552.381474	NA	MeJP	NA	NA
+MJ080241	3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-angeloyl 	C35H52O5	552.381474	NA	MeJP	NA	NA
+MJ080242	8-Hydroxyhyperforin 8,1-hemiacetal 	C35H52O5	552.381474	NA	MeJP	NA	NA
+MJ080243	Furohyperforin 	C35H52O5	552.381474	NA	MeJP	NA	NA
+MJ080244	Oxepahyperforin 	C35H52O5	552.381474	NA	MeJP	NA	NA
+MJ080245	Manzamine A, 1R,2,3,4-Tetrahydro 	C36H48N4O	552.382812	NA	MeJP	NA	NA
+MJ080246	Manzamine J; 3',4'-Dihydro 	C36H48N4O	552.382812	NA	MeJP	NA	NA
+MJ080247	Cyclovirobuxine I; N3,N20-Di-Me, O-(3-hydroxy-4-methoxybenzoyl) 	C34H52N2O4	552.392708	NA	MeJP	NA	NA
+MJ080248	Eurylene; 14-De-Ac 	C32H56O7	552.402604	NA	MeJP	NA	NA
+C08587	beta-Carotene 5,6-epoxide	C40H56O	552.4331	NA	KEGG	NA	NA
+C08590	Zeinoxanthin	C40H56O	552.4331	NA	KEGG	NA	NA
+C08591	beta-Cryptoxanthin	C40H56O	552.4331	NA	KEGG	NA	NA
+C08603	Lycoxanthin	C40H56O	552.4331	NA	KEGG	NA	NA
+C08605	Mutatochrome	C40H56O	552.4331	NA	KEGG	NA	NA
+C08611	Rubixanthin	C40H56O	552.4331	NA	KEGG	NA	NA
+C15860	1'-Hydroxytorulene	C40H56O	552.4331	NA	KEGG	NA	NA
+C15874	3,4-Dehydrorhodopin	C40H56O	552.4331	NA	KEGG	NA	NA
+C15875	Kemptide	C40H56O	552.4331	NA	KEGG	NA	NA
+C15876	Katacalcin	C40H56O	552.4331	NA	KEGG	NA	NA
+C15981	alpha-Cryptoxanthin	C40H56O	552.4331	NA	KEGG	NA	NA
+C15982	Thermocryptoxanthin	C53H78O7	552.4331	NA	KEGG	NA	NA
+C15983	Thermozeaxanthin	C53H78O8	552.4331	NA	KEGG	NA	NA
+C15984	Thermobiszeaxanthin	C66H100O14	552.4331	NA	KEGG	NA	NA
+HMDB02268	Beta-Cryptoxanthin	C40H56O	552.433105	NA	HMDB2010	NA	NA
+HMDB02268	beta-Cryptoxanthin	C40H56O	552.43311	http://www.hmdb.ca/metabolites/HMDB02268	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02268	beta-Cryptoxanthin	C40H56O	552.43311	http://www.hmdb.ca/metabolites/HMDB02268	HMDB	NA	NA
+HMDB02268	beta-Cryptoxanthin	C40H56O	552.43311	http://www.hmdb.ca/metabolites/HMDB02268	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02268	beta-Cryptoxanthin	C40H56O	552.43311	HMDB02268	PFEM_hmdb_metabocards_official	NA	NA
+MJ080249	1',2'-Epoxy-1',2'-dihydro-?,?-carotene 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080250	3',4'-Didehydro-1',2'-dihydro-?,?-caroten-1'-ol 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080251	3-Hydroxy-?-carotene 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080252	?,?-Carotene-2,2'-diol, Monodeoxy 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080253	?,?-Caroten-2-ol 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080254	?,?-Caroten-4-one, 4-Alcohol 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080255	?-Carotene epoxide 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080256	?-Carotene; 3',4'-Didehydro, 1',2'-dihydro, 2'-hydroxy 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080257	?-Cryptoxanthin 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080258	Aleuriaxanthin 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080259	Anhydrorhodovibrin; O-De-Me 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080260	Echinenone; 4-Alcohol 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080261	Flavochrome 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080262	Lycopene, 1,2S-Epoxide 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080263	Lycopene, 5,6-Epoxide 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080264	Lycophyll; Deoxy 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080265	Mutatochrome 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080266	Rhodopinol; 1-Deoxy, 1,2-didehydro 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080267	Rubixanthin 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080268	?-Carotene 5,6-epoxide 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080269	?-Cryptoxanthin 	C40H56O	552.433116	NA	MeJP	NA	NA
+MJ080270	?-Carotene; 1',2'-Epoxide 	C40H56O	552.433116	NA	MeJP	NA	NA
+MetaCyc03844	&alpha;-cryptoxanthin [&beta;,&epsilon;-caroten-3'-ol;]	C40H56O1	552.433116	NA	metacyc	NA	NA
+MetaCyc03845	&epsilon;,&epsilon;-carotene-3-diol []	C40H56O1	552.433116	NA	metacyc	NA	NA
+MetaCyc03846	&beta;-cryptoxanthin [&beta;,&beta;-carotene-3-ol;]	C40H56O1	552.433116	NA	metacyc	NA	NA
+MetaCyc03847	zeinoxanthin [&beta;,&epsilon;-carotene-3-ol;]	C40H56O1	552.433116	NA	metacyc	NA	NA
+MetaCyc03848	&epsilon;,&psi;-carotene-3-ol []	C40H56O1	552.433116	NA	metacyc	NA	NA
+HMDB07070	DG(15:0/16:1(9Z)/0:0)	C34H64O5	552.475403	NA	HMDB2010	NA	NA
+HMDB07126	DG(16:1(9Z)/15:0/0:0)	C34H64O5	552.475403	NA	HMDB2010	NA	NA
+MJ080271	12-Oleanen-3-ol, O-Octanoyl 	C38H64O2	552.490631	NA	MeJP	NA	NA
+MJ080272	12-Ursen-3-ol, Octanoyl 	C38H64O2	552.490631	NA	MeJP	NA	NA
+MJ080273	20(29)-Lupen-3-ol, Octanoyl 	C38H64O2	552.490631	NA	MeJP	NA	NA
+MJ080274	?,?-Carotane 	C40H72	552.563402	NA	MeJP	NA	NA
+MJ080275	Thiamine; O-Triphosphate 	C12H20N4O13P3S	552.996041	NA	MeJP	NA	NA
+PJ005052	SCDDD 	C18H27N5O13S	553.1326	NA	PeJP	NA	NA
+PJ005053	PCCCE 	C19H31N5O8S3	553.1335	NA	PeJP	NA	NA
+MJ080276	Antibiotic OA 6129B1; 6-O-Sulfate 	C20H31N3O11S2	553.14	NA	MeJP	NA	NA
+PJ005054	GCDEM 	C19H31N5O10S2	553.1513	NA	PeJP	NA	NA
+MJ080277	Amidepsine B 	C28H27NO11	553.15841	NA	MeJP	NA	NA
+PJ005055	SCCNQ 	C18H31N7O9S2	553.1625	NA	PeJP	NA	NA
+PJ005056	CDMW 	C23H31N5O7S2	553.1665	NA	PeJP	NA	NA
+PJ005057	SSDDM 	C19H31N5O12S	553.169	NA	PeJP	NA	NA
+PJ005058	PTCCM 	C20H35N5O7S3	553.1699	NA	PeJP	NA	NA
+MJ080278	Asaphan, 3'',4''-Dihydroxy 	C26H33Cl2N3O6	553.174641	NA	MeJP	NA	NA
+MJ080279	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C25H31NO13	553.17954	NA	MeJP	NA	NA
+PJ005059	GSSSCN 	C18H31N7O11S	553.1802	NA	PeJP	NA	NA
+PJ005060	GGGSSSC 	C18H31N7O11S	553.1803	NA	PeJP	NA	NA
+PJ005061	GPCDY 	C23H31N5O9S	553.1843	NA	PeJP	NA	NA
+PJ005062	GSEMM 	C20H35N5O9S2	553.1876	NA	PeJP	NA	NA
+PJ005063	GCNNF 	C22H31N7O8S	553.1955	NA	PeJP	NA	NA
+PJ005064	SCCNK 	C19H35N7O8S2	553.1989	NA	PeJP	NA	NA
+MJ080280	N-[2-[4-[3-[4-Amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]-1-piperidinyl]ethyl]methanesulfonamide 	C26H36ClN3O6S	553.201334	NA	MeJP	NA	NA
+PJ005065	NEEY 	C23H31N5O11	553.202	NA	PeJP	NA	NA
+PJ005066	SMMW 	C24H35N5O6S2	553.2029	NA	PeJP	NA	NA
+PJ005067	SSTEM 	C20H35N5O11S	553.2054	NA	PeJP	NA	NA
+MJ080281	Saframycin A; Decyano, 14-oxo, ring E hydroquinone 	C28H31N3O9	553.206029	NA	MeJP	NA	NA
+MJ080282	Saframycin S 	C28H31N3O9	553.206029	NA	MeJP	NA	NA
+PJ005068	AAMMM 	C21H39N5O6S3	553.2063	NA	PeJP	NA	NA
+PJ005069	GTCHH 	C21H31N9O7S	553.2067	NA	PeJP	NA	NA
+MJ080283	Carbazomarin A 	C33H31NO7	553.210052	NA	MeJP	NA	NA
+PJ005070	GSNNY 	C22H31N7O10	553.2133	NA	PeJP	NA	NA
+PJ005071	GEYW 	C27H31N5O8	553.2173	NA	PeJP	NA	NA
+PJ005072	GSPMY 	C24H35N5O8S	553.2207	NA	PeJP	NA	NA
+PJ005073	ATTMM 	C21H39N5O8S2	553.224	NA	PeJP	NA	NA
+PJ005074	SSSHH 	C21H31N9O9	553.2245	NA	PeJP	NA	NA
+PJ005075	PDHW 	C26H31N7O7	553.2285	NA	PeJP	NA	NA
+MJ080284	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 6-Ac 	C30H35NO9	553.231181	NA	MeJP	NA	NA
+MJ080285	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1-benzoyl, 9-Ac 	C30H35NO9	553.231181	NA	MeJP	NA	NA
+PJ005076	CEFR 	C23H35N7O7S	553.2319	NA	PeJP	NA	NA
+PJ005077	YWW 	C31H31N5O5	553.2325	NA	PeJP	NA	NA
+PJ005078	AMFW 	C28H35N5O5S	553.2359	NA	PeJP	NA	NA
+PJ005079	DKEY 	C24H35N5O10	553.2384	NA	PeJP	NA	NA
+PJ005080	NHHF 	C25H31N9O6	553.2398	NA	PeJP	NA	NA
+PJ005081	TTTTM 	C21H39N5O10S	553.2418	NA	PeJP	NA	NA
+MJ080286	4-[(2-Hydroxy-3-phenoxypropyl)amino]butyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate 	C29H35N3O8	553.242415	NA	MeJP	NA	NA
+JH239	Taurocholic acid [M+K]+	NA	553.2429	25.3	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH239	Taurocholic acid [M+K]+	NA	553.2429	25.3	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH239	Taurocholic acid [M+K]+	NA	553.2429	25.3	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH239	Taurocholic acid [M+K]+	NA	553.2429	25.3	Inhousejuil11	NA	NA
+PJ005082	SERY 	C23H35N7O9	553.2496	NA	PeJP	NA	NA
+PJ005083	APTEH 	C23H35N7O9	553.2497	NA	PeJP	NA	NA
+PJ005084	SVYW 	C28H35N5O7	553.2537	NA	PeJP	NA	NA
+PJ005085	LQMY 	C25H39N5O7S	553.257	NA	PeJP	NA	NA
+PJ005086	AAQQH 	C22H35N9O8	553.2609	NA	PeJP	NA	NA
+PJ005087	GPPHF 	C27H35N7O6	553.2649	NA	PeJP	NA	NA
+MJ080287	Trideacetylpyripyropene A; 7-Deoxy, 3,19-dipropanoyl 	C31H39NO8	553.267567	NA	MeJP	NA	NA
+PJ005088	CLRY 	C24H39N7O6S	553.2683	NA	PeJP	NA	NA
+PJ005089	NQHR 	C21H35N11O7	553.2721	NA	PeJP	NA	NA
+PJ005090	GTTLY 	C25H39N5O9	553.2748	NA	PeJP	NA	NA
+MJ080288	Vignatic acid A 	C30H39N3O7	553.2788	NA	MeJP	NA	NA
+3774	PEP inhibitor	MPPPL	553.2804	ACE inhibitor	Inhouse_peptide	NA	peptide
+3775	PEP inhibitor	MPPLP	553.2804	ACE inhibitor	Inhouse_peptide	NA	peptide
+3042	inhibitor of fibrinogen and thrombin coagulation	GPRGPA	553.284	celiac toxic	Inhouse_peptide	NA	peptide
+PJ005091	GVLEH 	C24H39N7O8	553.286	NA	PeJP	NA	NA
+PJ005092	PKFY 	C29H39N5O6	553.29	NA	PeJP	NA	NA
+PJ005093	LQFF 	C29H39N5O6	553.2901	NA	PeJP	NA	NA
+PJ005094	LKMY 	C26H43N5O6S	553.2934	NA	PeJP	NA	NA
+PJ005095	LEHR 	C23H39N9O7	553.2973	NA	PeJP	NA	NA
+PJ005096	VLHW 	C28H39N7O5	553.3013	NA	PeJP	NA	NA
+MJ080289	Pyrochasmaconitine 	C32H43NO7	553.303952	NA	MeJP	NA	NA
+PJ005097	NKHR 	C22H39N11O6	553.3085	NA	PeJP	NA	NA
+PJ005098	PPVLE 	C26H43N5O8	553.3112	NA	PeJP	NA	NA
+HMDB11499	LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))	C29H48NO7P	553.316833	NA	HMDB2010	NA	NA
+HMDB11529	LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	C29H48NO7P	553.316833	NA	HMDB2010	NA	NA
+EUR796	Lyso PC 22:6 [M-H-CH3]-	C30H50NO7P	553.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR924	Lyso PE 24:6 monoisotopic mass 	C29H48NO7P	553.316842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR796	Lyso PC 22:6 [M-H-CH3]-	C30H50NO7P	553.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR924	Lyso PE 24:6 monoisotopic mass 	C29H48NO7P	553.316842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR796	Lyso PC 22:6 [M-H-CH3]-	C30H50NO7P	553.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR924	Lyso PE 24:6 monoisotopic mass 	C29H48NO7P	553.316842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR796	Lyso PC 22:6 [M-H-CH3]-	C30H50NO7P	553.316842	masses lipides attendues	Inhousejuil11	NA	NA
+EUR924	Lyso PE 24:6 monoisotopic mass 	C29H48NO7P	553.316842	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005099	ATLLH 	C25H43N7O7	553.3224	NA	PeJP	NA	NA
+PJ005100	LKFF 	C30H43N5O5	553.3264	NA	PeJP	NA	NA
+PJ005101	GPPKR 	C24H43N9O6	553.3337	NA	PeJP	NA	NA
+EUR712	LysoPE (20:1) [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR867	Lyso PE 20:1 [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR712	LysoPE (20:1) [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR867	Lyso PE 20:1 [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR712	LysoPE (20:1) [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR867	Lyso PE 20:1 [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR712	LysoPE (20:1) [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	Inhousejuil11	NA	NA
+EUR867	Lyso PE 20:1 [M+FA-H]-	C25H50NO7P	553.337372	masses lipides attendues	Inhousejuil11	NA	NA
+EUR723	Lyso PC 16:1 [M-H+acetate]-	C24H48NO7P	553.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR723	Lyso PC 16:1 [M-H+acetate]-	C24H48NO7P	553.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR723	Lyso PC 16:1 [M-H+acetate]-	C24H48NO7P	553.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR723	Lyso PC 16:1 [M-H+acetate]-	C24H48NO7P	553.337942	masses lipides attendues	Inhousejuil11	NA	NA
+MJ080290	Antibiotic SH 50 	C26H47N7O6	553.358782	NA	MeJP	NA	NA
+MJ080291	Izenamicin B2 	C30H51NO8	553.361467	NA	MeJP	NA	NA
+PJ005102	PVLLL 	C28H51N5O6	553.384	NA	PeJP	NA	NA
+MJ080292	Antibiotic SAB 711 	C27H51N7O5	553.395167	NA	MeJP	NA	NA
+MJ080293	Topostin B553 	C33H63NO5	553.470624	NA	MeJP	NA	NA
+MJ080294	2-Amino-4-octadecene-1,3-diol, N-(2-Hydroxyhexadecanoyl) 	C34H67NO4	553.507009	NA	MeJP	NA	NA
+2745	activating kinases and phosphatases peptide	EPFYQNVPD	553.7364	MH2+	Inhouse_peptide	NA	peptide
+3135	ester transferases inhibitor	WRMWYVPA	553.7597	MH2+	Inhouse_peptide	NA	peptide
+MJ080295	Sepazonium(1+), Chloride 	C26H23Cl5N2O	554.025301	NA	MeJP	NA	NA
+MJ080296	Ceftriaxone 	C18H18N8O7S3	554.046057	NA	MeJP	NA	NA
+C06683	Ceftriaxone	C18H18N8O7S3	554.0461	NA	KEGG	NA	NA
+MJ080297	Zolasartan 	C24H20BrClN6O3	554.046878	NA	MeJP	NA	NA
+C13505	Cefsulodin sodium	C22H19N4O8S2	554.0542	NA	KEGG	NA	NA
+C13506	Transferred to D02006	C22H19N4O8S2	554.0542	NA	KEGG	NA	NA
+C13508	Sulfoquinovosyldiacylglycerol	C11H16O12SR2	554.0542	NA	KEGG	NA	NA
+C13509	Transferred to D02008	C11H16O12SR2	554.0542	NA	KEGG	NA	NA
+C13510	Transferred to D02009	C11H16O12SR2	554.0542	NA	KEGG	NA	NA
+MJ080298	?-Rubromycin; 3,3'-Dihydroxy 	C26H18O14	554.069655	NA	MeJP	NA	NA
+MJ080299	4',4''',5,5'',7,7''-Hexahydroxy-3,8''-biflavone; 6''-Hydroxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080300	Amentoflavone; 3'-Hydroxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080301	Amentoflavone; 5'''-Hydroxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080302	Dicatenarin; 2'-Deoxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080303	Dicatenarin; 8'-Deoxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080304	Dicranolomin; 3'''-Deoxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080305	Oxyskyrine 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080306	Robustaflavone; 5'''-Hydroxy 	C30H18O11	554.084911	NA	MeJP	NA	NA
+MJ080307	Cephachlomazine 	C23H27ClN4O4S3	554.088295	NA	MeJP	NA	NA
+MJ080308	Albofungin; 11-Chloro 	C27H23ClN2O9	554.109208	NA	MeJP	NA	NA
+MJ080309	Antibiotic A 80915B 	C26H29Cl3N2O5	554.114205	NA	MeJP	NA	NA
+MJ080310	Amentoflavone; 2'',3''-Dihydro, 7''-Me ether (S-) 	C31H22O10	554.121296	NA	MeJP	NA	NA
+MJ080311	Hinokiflavone; 2'',3''-Dihydro(S-), 7''-Me ether 	C31H22O10	554.121296	NA	MeJP	NA	NA
+MJ080312	Lanceolatin A; 7''-Me ether 	C31H22O10	554.121296	NA	MeJP	NA	NA
+MJ080313	Ochnaflavone; 2'',3''-Dihydro, 7''-Me ether 	C31H22O10	554.121296	NA	MeJP	NA	NA
+MJ080314	Ochnaflavone; 2,3-Dihydro, 7-Me ether 	C31H22O10	554.121296	NA	MeJP	NA	NA
+MJ080315	Agrocinopin A 	C17H31O18P	554.1248	NA	MeJP	NA	NA
+MJ080316	1,2,6,8-Tetrahydroxyxanthone; 8-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C24H26O15	554.12717	NA	MeJP	NA	NA
+MJ080317	Diphyllin; O-[5-O-Acetyl-?-D-apiofuranoside] 	C28H26O12	554.142426	NA	MeJP	NA	NA
+MJ080318	Diphyllin; O-[Acetyl-D-xylopyranoside] 	C28H26O12	554.142426	NA	MeJP	NA	NA
+PJ005103	SCCNE 	C18H30N6O10S2	554.1465	NA	PeJP	NA	NA
+MJ080319	6-Chloro-2,3-epoxy-8,9,11-trihydroxy-12-oxo-5(16),13-briaradien-18,7-olide; 9-(Acetoxyacetyl), 11-Ac 	C26H31ClO11	554.155489	NA	MeJP	NA	NA
+MJ080320	6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9-(acetoxyacetyl), 11-Ac 	C26H31ClO11	554.155489	NA	MeJP	NA	NA
+C14122	R207910	C32H31BrN2O2	554.1569	NA	KEGG	NA	NA
+MJ080321	2',4',7-Trihydroxy-2-(2',4',7-trihydroxyisoflavan-5-yl)isoflavone, 4',4'''-Di-Me ether 	C32H26O9	554.157682	NA	MeJP	NA	NA
+MJ080322	2',7-Dihydroxy-4'-methoxyflavone(3?5')-2',7-dihydroxy-4'-methoxyisoflavan 	C32H26O9	554.157682	NA	MeJP	NA	NA
+PJ005104	GSCCW 	C22H30N6O7S2	554.1618	NA	PeJP	NA	NA
+MJ080323	?-Sorigenin; 6-Methoxy, 8-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H30O14	554.163555	NA	MeJP	NA	NA
+MJ080324	Arbutin; 2-O-[(4-Hydroxy-3-methoxybenzoyl)-(?5)-?-D-apiofuranosyl] 	C25H30O14	554.163555	NA	MeJP	NA	NA
+MJ080325	Caryoptosidic acid; 6'-(3,4-Dihydroxycinnamoyl)(E-) 	C25H30O14	554.163555	NA	MeJP	NA	NA
+MJ080326	Kingiside; 6'-(4-Hydroxy-3-methoxybenzoyl) 	C25H30O14	554.163555	NA	MeJP	NA	NA
+MJ080327	Ligustrosidic acid 	C25H30O14	554.163555	NA	MeJP	NA	NA
+PJ005105	GSSSCD 	C18H30N6O12S	554.1643	NA	PeJP	NA	NA
+PJ005106	GCNMM 	C19H34N6O7S3	554.1651	NA	PeJP	NA	NA
+PJ005107	ACCCR 	C18H34N8O6S3	554.1764	NA	PeJP	NA	NA
+MJ080328	4,4',7-Trihydroxyflavan, 4-Me ether, 7-O-[4-hydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C29H30O11	554.178811	NA	MeJP	NA	NA
+MJ080329	Aloesin; 7-Me ether, 2'-O-(4-hydroxy-E-cinnamoyl) 	C29H30O11	554.178811	NA	MeJP	NA	NA
+MJ080330	Diphyllin; O-[2,3,5-Tri-O-methyl-D-xylofuranoside] 	C29H30O11	554.178811	NA	MeJP	NA	NA
+PJ005108	GCNDF 	C22H30N6O9S	554.1795	NA	PeJP	NA	NA
+PJ005109	SSCQM 	C19H34N6O9S2	554.1829	NA	PeJP	NA	NA
+MJ080331	[[[N-(Methoxy-3-phenyl)-N-(N-methyl-N-phenylcarbamoylmethyl)carbamoylmethyl]-3-ureido]-3-phenyl]-2-ethylsulfonate 	C27H30N4O7S	554.18352	NA	MeJP	NA	NA
+PJ005110	DEEY 	C23H30N4O12	554.186	NA	PeJP	NA	NA
+MJ080332	6-Chloro-2,3,8,9-tetrahydroxy-12-oxo-5(16),13-briaradien-18,7-olide; 3,9-Di-Ac, 2-propanoyl 	C27H35ClO10	554.191875	NA	MeJP	NA	NA
+MJ080333	Gliricidin 	C33H30O8	554.194067	NA	MeJP	NA	NA
+PJ005111	SSCCR 	C18H34N8O8S2	554.1941	NA	PeJP	NA	NA
+PJ005112	GSNDY 	C22H30N6O11	554.1973	NA	PeJP	NA	NA
+C17476	Osthenol-7-O-beta-D-gentiobioside	C26H34O13	554.1999	NA	KEGG	NA	NA
+MJ080334	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O13	554.199941	NA	MeJP	NA	NA
+MJ080335	3,3',4,4',8,8',9-Heptahydroxy-7,9'-epoxylignan; 3,3'-Di-Me ether, 4'-O-?-D-glucopyranoside 	C26H34O13	554.199941	NA	MeJP	NA	NA
+MJ080336	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, 3'-benzyl, tetra-Ac 	C26H34O13	554.199941	NA	MeJP	NA	NA
+MJ080337	5,7-Dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O13	554.199941	NA	MeJP	NA	NA
+MJ080338	Harpagide; 8-O-(3,4-Dimethoxycinnamoyl) 	C26H34O13	554.199941	NA	MeJP	NA	NA
+MJ080339	Osthenol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O13	554.199941	NA	MeJP	NA	NA
+PJ005113	GSSSSM 	C19H34N6O11S	554.2006	NA	PeJP	NA	NA
+PJ005114	ACCKM 	C20H38N6O6S3	554.2015	NA	PeJP	NA	NA
+PJ005115	EEMF 	C24H34N4O9S	554.2047	NA	PeJP	NA	NA
+MJ080340	Aglaiastatin; 3'-Methoxy, 5a''',N6'''-didehydro 	C32H30N2O7	554.205301	NA	MeJP	NA	NA
+PJ005116	MMHH 	C22H34N8O5S2	554.2094	NA	PeJP	NA	NA
+MJ080341	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9'-O-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080342	Abiesol B 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080343	Arctignan A 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080344	Cerberalignan D 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080345	Cerberalignan E 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080346	Hirtin; O-De-Ac 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080347	Lappaol C 	C30H34O10	554.215197	NA	MeJP	NA	NA
+MJ080348	Lappaol E 	C30H34O10	554.215197	NA	MeJP	NA	NA
+C17686	Lappaol C	C30H34O10	554.2152	NA	KEGG	NA	NA
+PJ005117	NQMY 	C23H34N6O8S	554.2159	NA	PeJP	NA	NA
+PJ005118	SSSSST 	C19H34N6O13	554.2184	NA	PeJP	NA	NA
+PJ005119	SSCKM 	C20H38N6O8S2	554.2193	NA	PeJP	NA	NA
+PJ005120	GNNNH 	C20H30N10O9	554.2197	NA	PeJP	NA	NA
+MJ080349	Miharamycin A 	C20H30N10O9	554.219722	NA	MeJP	NA	NA
+PJ005121	GGGNNH 	C20H30N10O9	554.2198	NA	PeJP	NA	NA
+MJ080350	Heteropsine; N6-Me 	C36H30N2O4	554.220557	NA	MeJP	NA	NA
+MJ080351	Antibiotic FR 183742 	C25H38N4O6S2	554.223276	NA	MeJP	NA	NA
+MJ080352	Antibiotic FR 183743 	C25H38N4O6S2	554.223276	NA	MeJP	NA	NA
+PJ005122	DHHF 	C25H30N8O7	554.2238	NA	PeJP	NA	NA
+PJ005123	CNRY 	C22H34N8O7S	554.2271	NA	PeJP	NA	NA
+PJ005124	GGGPMH 	C22H34N8O7S	554.2272	NA	PeJP	NA	NA
+MJ080353	Physalolactone; 23?-Hydroxy 	C28H39ClO9	554.22826	NA	MeJP	NA	NA
+2744	activating kinases and phosphatases peptide	EPFYENVPD	554.2284	MH2+	Inhouse_peptide	NA	peptide
+MJ080354	Citrumarin B; 7-Me ether 	C34H34O7	554.230453	NA	MeJP	NA	NA
+PJ005125	GSTQY 	C23H34N6O10	554.2337	NA	PeJP	NA	NA
+MJ080355	2,7-Cadalenediol; Di-O-?-D-glucopyranoside 	C27H38O12	554.236326	NA	MeJP	NA	NA
+MJ080356	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-xylopyranoside 	C27H38O12	554.236326	NA	MeJP	NA	NA
+MJ080357	3,3',4,5,7,9,9'-Heptahydroxy-8,4'-oxyneolignan, 3,3',5-Tri-Me ether, 9'-O-?-L-rhamnopyranoside 	C27H38O12	554.236326	NA	MeJP	NA	NA
+MJ080358	Jaspofoliamoside E; 6'-Deacyl, (1''?6')lactone 	C27H38O12	554.236326	NA	MeJP	NA	NA
+MJ080359	Antibiotic TMC 2A; 4-Epimer, 5-deoxy 	C28H34N4O8	554.237664	NA	MeJP	NA	NA
+MJ080360	Antibiotic TMC 2A; 5-Deoxy 	C28H34N4O8	554.237664	NA	MeJP	NA	NA
+PJ005126	PEFY 	C28H34N4O8	554.2377	NA	PeJP	NA	NA
+PJ005127	LEMY 	C25H38N4O8S	554.2411	NA	PeJP	NA	NA
+HMDB03828	D-Pantethine	C22H42N4O8S2	554.24438	http://www.hmdb.ca/metabolites/HMDB03828	HMDB	NA	NA
+HMDB03828	D-Pantethine	C22H42N4O8S2	554.24438	HMDB03828	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03828	D-Pantethine	C22H42N4O8S2	554.244385	NA	HMDB2010	NA	NA
+C12661	Pantethine	C22H42N4O8S2	554.2444	NA	KEGG	NA	NA
+MJ080361	Pantethine 	C22H42N4O8S2	554.244405	NA	MeJP	NA	NA
+PJ005128	AAQEH 	C22H34N8O9	554.2449	NA	PeJP	NA	NA
+PJ005129	NQFF 	C27H34N6O7	554.2489	NA	PeJP	NA	NA
+MJ080362	11(15?1)-Abeo-2,5,9,10,15-pentahydroxy-4(20),11-taxadien-13-one, 10-Benzoyl, 2,9-di-Ac 	C31H38O9	554.251582	NA	MeJP	NA	NA
+MJ080363	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 2-(4-Hydroxybenzoyl), 18,19-di-Ac 	C31H38O9	554.251582	NA	MeJP	NA	NA
+MJ080364	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 6-(4-Hydroxybenzoyl), 18,19-di-Ac 	C31H38O9	554.251582	NA	MeJP	NA	NA
+MJ080365	Detigloylswietenine; 3-(2-Methylpropenoyl) 	C31H38O9	554.251582	NA	MeJP	NA	NA
+MJ080366	Ingol; 2,3-Diepimer, 8-benzoyl, 7,12-di-Ac 	C31H38O9	554.251582	NA	MeJP	NA	NA
+MJ080367	Ingol; 8-Benzoyl, 3,12-di-Ac 	C31H38O9	554.251582	NA	MeJP	NA	NA
+MJ080368	Toonacilin 	C31H38O9	554.251582	NA	MeJP	NA	NA
+C08785	Toonacilin	C31H38O9	554.2516	NA	KEGG	NA	NA
+PJ005130	NKMY 	C24H38N6O7S	554.2523	NA	PeJP	NA	NA
+PJ005131	NEHR 	C21H34N10O8	554.2561	NA	PeJP	NA	NA
+MJ080369	2-Amino-N-[7,7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide 	C26H42N4O5S2	554.259661	NA	MeJP	NA	NA
+PJ005132	VNHW 	C26H34N8O6	554.2602	NA	PeJP	NA	NA
+3309	NA	LPYY	554.262	celiac toxic	Inhouse_peptide	NA	peptide
+3310	NA	LYPY	554.262	celiac toxic	Inhouse_peptide	NA	peptide
+7890	NA	YLYP	554.262	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ080370	Sarcodictyin A; 3?-Acetoxy 	C30H38N2O8	554.262816	NA	MeJP	NA	NA
+PJ005133	APCKH 	C23H38N8O6S	554.2635	NA	PeJP	NA	NA
+PJ005134	GSTKY 	C24H38N6O9	554.27	NA	PeJP	NA	NA
+PJ005135	PPVNE 	C24H38N6O9	554.2701	NA	PeJP	NA	NA
+PJ005136	GHRW 	C25H34N10O5	554.2714	NA	PeJP	NA	NA
+MJ080371	11-Taxene-2,5,7,9,10,13,20-heptol, 2,5,10,13-Tetra-Ac 	C28H42O11	554.272712	NA	MeJP	NA	NA
+MJ080372	4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 3-(2-Methylpropanoyl), 6,19-di-Ac 	C28H42O11	554.272712	NA	MeJP	NA	NA
+MJ080373	Nigakihemiacetal C; 11,12-Methylene ether, 16-O-?-D-glucopyranoside(16?-) 	C28H42O11	554.272712	NA	MeJP	NA	NA
+PJ005137	PLYY 	C29H38N4O7	554.2741	NA	PeJP	NA	NA
+MJ080374	Chaetoglobosin K; 19-Ketone 	C34H38N2O5	554.278072	NA	MeJP	NA	NA
+MJ080375	Elastatinal B 	C23H38N8O8	554.28126	NA	MeJP	NA	NA
+MJ080376	Elastatinal C 	C23H38N8O8	554.28126	NA	MeJP	NA	NA
+PJ005138	GPPER 	C23H38N8O8	554.2813	NA	PeJP	NA	NA
+PJ005139	GPPVW 	C28H38N6O6	554.2853	NA	PeJP	NA	NA
+MJ080377	18,20-Epoxypregnane-3,11,12,14,20-pentol, 12-Cinnamoyl, 11-Ac 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080378	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2Z,4E,6-Decatrienoyl), 13-Ac 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080379	5,9,12,13,20-Pentahydroxy-1,6-tigladien-3-one, 12-(2,4,6-Decatrienoyl)(2Z,4E,6?-), 13-Ac 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080380	6,18:11,16:15,16-Triepoxy-1,7,18-clerodanetriol, 18-Me ether, 7-cinnamoyl(E-), 1-Ac 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080381	6,18:11,16:15,16-Triepoxy-1,7,18-clerodanetriol, 18-Me ether, 7-cinnamoyl(Z-), 1-Ac 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080382	Acrovestone 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080383	Detigloylswietenine; 6-Deoxy, 3-(2-methylbutanoyl) 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080384	Hyperbrasilol C 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080385	Meliacinol 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080386	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-Ac 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080387	Salannic acid; 1-(3-Methyl-2-butenoyl), Me ester 	C32H42O8	554.287968	NA	MeJP	NA	NA
+MJ080388	Salannic acid; 1-O-Tigloyl, Me ester 	C32H42O8	554.287968	NA	MeJP	NA	NA
+C09916	Acrovestone	C32H42O8	554.288	NA	KEGG	NA	NA
+C10006	Integerressine	C33H38N4O4	554.2893	NA	KEGG	NA	NA
+MJ080389	Aralionine B 	C33H38N4O4	554.289305	NA	MeJP	NA	NA
+MJ080390	Integerressine 	C33H38N4O4	554.289305	NA	MeJP	NA	NA
+MJ080391	22,23-Epoxycholest-7-ene-2,3,4-triol, 4-Sulfate, 2-Ac 	C29H46O8S	554.291339	NA	MeJP	NA	NA
+MJ080392	22,23-Epoxycholest-7-ene-2,3,4-triol, 4-Sulfate, 3-Ac 	C29H46O8S	554.291339	NA	MeJP	NA	NA
+PJ005140	DKHR 	C22H38N10O7	554.2925	NA	PeJP	NA	NA
+PJ005141	PPRW 	C27H38N8O5	554.2965	NA	PeJP	NA	NA
+3255	beta-lactorphin (102-105) ACE inhibitor	YLLF	554.299	celiac toxic	Inhouse_peptide	NA	peptide
+3256	beta-lactorphin (102-105)	YLLF	554.299	celiac toxic	Inhouse_peptide	NA	peptide
+MJ080393	Batrachotoxinin A; 4?-Hydroxy, O20-2,4-dimethyl-3-pyrrolecarboxylate 	C31H42N2O7	554.299201	NA	MeJP	NA	NA
+PJ005142	SHRR 	C21H38N12O6	554.3038	NA	PeJP	NA	NA
+MJ080394	Betamethasone; 21-Adamantoyl 	C33H43FO6	554.304367	NA	MeJP	NA	NA
+PJ005143	PPVDK 	C25H42N6O8	554.3064	NA	PeJP	NA	NA
+MJ080395	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3-(3-Acetoxyhexadecanoyl), 4,5-di-Ac 	C29H46O10	554.309097	NA	MeJP	NA	NA
+PJ005144	LLFY 	C30H42N4O6	554.3104	NA	PeJP	NA	NA
+MJ080396	Antibiotic PF 1070B 	C30H42N4O6	554.310435	NA	MeJP	NA	NA
+MJ080397	Spermine; Bis(4-hydroxy-3-methoxycinnamoyl) 	C30H42N4O6	554.310435	NA	MeJP	NA	NA
+PJ005145	SPPVR 	C24H42N8O7	554.3177	NA	PeJP	NA	NA
+MJ080398	Antibiotic SB 291071; Homologue (R = -(CH2)10CH3) 	C28H46N2O9	554.320331	NA	MeJP	NA	NA
+MJ080399	Antibiotic SB 315021 	C28H46N2O9	554.320331	NA	MeJP	NA	NA
+MJ080400	Antibiotic C 076; Antibiotic C 076IIc 	C33H46O7	554.324353	NA	MeJP	NA	NA
+C11961	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone	C33H46O7	554.3244	NA	KEGG	NA	NA
+PJ005146	PPTLK 	C26H46N6O7	554.3428	NA	PeJP	NA	NA
+MJ080401	2,3,16-Trihydroxy-22,23,24,25,26,27-hexanor-20-cucurbitanone, 2-O-?-D-Glucopyranoside 	C30H50O9	554.345483	NA	MeJP	NA	NA
+MJ080402	2-Hydroxy-6-(16-hydroxyheptadecyl)benzoic acid, 16'-O-?-D-Mannopyranoside 	C30H50O9	554.345483	NA	MeJP	NA	NA
+PJ005147	GPLLR 	C25H46N8O6	554.3541	NA	PeJP	NA	NA
+FL4DAANI0010	Muscanone;5,7,4'-Trihydroxy-3-O-(1,8,14-trimethylhexadecanyl)flavanone	C34H50O6	554.36073	556014-15-4	knapsack	NA	NA
+MJ080403	2,3-Dihydroxy-12,18-ursadien-28-oic acid, Di-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080404	2,3-Dihydroxy-5,12-oleanadien-28-oic acid, Di-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080405	3,15-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, Di-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080406	3,22,28-Trihydroxy-13,15,17(20),24-malabaricatetraen-12-one, 3,28-Di-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080407	3,22,29-Trihydroxy-13,15,17(20),24-isomalabaricatetraen-12-one, 3,22-Di-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080408	3,22-Dihydroxylanosta-7,9(11),24-trien-26-oic acid, Di-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080409	Ingenol; 3-(2E,4Z-Tetradecadienoyl) 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080410	Milbemycin IV 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080411	Perenniporiol; 3-Ac 	C34H50O6	554.360739	NA	MeJP	NA	NA
+MJ080412	Epoxomicin 	C28H50N4O7	554.367949	NA	MeJP	NA	NA
+PJ005148	PVVLK 	C27H50N6O6	554.3792	NA	PeJP	NA	NA
+MJ080413	3,22-Dihydroxy-12-oleanen-28-oic acid, 22-Angeloyl 	C35H54O5	554.397124	NA	MeJP	NA	NA
+MJ080414	3,22-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-(S-2-methylbutanoyl) 	C35H54O5	554.397124	NA	MeJP	NA	NA
+MJ080415	Lagunapyrone C 	C35H54O5	554.397124	NA	MeJP	NA	NA
+MJ080416	Manzamine B; 1?,2,3,4-Tetrahydro 	C36H50N4O	554.398462	NA	MeJP	NA	NA
+MJ080417	Manzamine J; 1'R,2',3',4'-Tetrahydro 	C36H50N4O	554.398462	NA	MeJP	NA	NA
+MJ080418	Manzamine J; 1'S,2',3',4'-Tetrahydro 	C36H50N4O	554.398462	NA	MeJP	NA	NA
+MJ080419	Sapelenin B; 10,11-Dihydro, 10,11-dihydroxy, 7-Ac 	C32H58O7	554.418254	NA	MeJP	NA	NA
+MJ080420	Sapelenin B; 22,23-Dihydro, 22,23-dihydroxy, 7-Ac 	C32H58O7	554.418254	NA	MeJP	NA	NA
+MJ080421	1',2'-Dihydro-?-caroten-1'-ol 	C40H58O	554.448766	NA	MeJP	NA	NA
+MJ080422	Rhodopin 	C40H58O	554.448766	NA	MeJP	NA	NA
+MJ080423	Spheroidene; O-De-Me 	C40H58O	554.448766	NA	MeJP	NA	NA
+MetaCyc03849	hydroxy-&beta;-zeacarotene [7',8'-dihydro-&beta;,&psi;-carotene-3-ol;]	C40H58O1	554.448766	NA	metacyc	NA	NA
+C15859	1'-Hydroxy-gamma-carotene	C40H58O	554.4488	NA	KEGG	NA	NA
+C15870	Rhodopin	C40H58O	554.4488	NA	KEGG	NA	NA
+C15871	Nocistatin	C40H58O	554.4488	NA	KEGG	NA	NA
+C15872	Kinetensin	C40H58O	554.4488	NA	KEGG	NA	NA
+C15873	Kassinin	C40H58O	554.4488	NA	KEGG	NA	NA
+C15898	Demethylspheroidene	C40H58O	554.4488	NA	KEGG	NA	NA
+C15899	Fibrinogen binding peptide	C40H58O	554.4488	NA	KEGG	NA	NA
+HMDB00548	Capric acid triglyceride	C33H62O6	554.45465	http://www.hmdb.ca/metabolites/HMDB00548	HMDB	NA	NA
+HMDB00548	Capric acid triglyceride	C33H62O6	554.45465	HMDB00548	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00548	TG(10:0/10:0/10:0)[iso]	C33H62O6	554.454651	NA	HMDB2010	NA	NA
+HMDB07069	DG(15:0/16:0/0:0)	C34H66O5	554.491028	NA	HMDB2010	NA	NA
+HMDB07097	DG(16:0/15:0/0:0)	C34H66O5	554.491028	NA	HMDB2010	NA	NA
+MJ080424	?,?-Carotane 	C40H74	554.579052	NA	MeJP	NA	NA
+MJ080425	Poduran 	C40H74	554.579052	NA	MeJP	NA	NA
+7708	pyrokinin TENMO-PK-3	HLSPFSPRLG	554.792	MH2+	Inhouse_peptide	NA	peptide
+HMDB11104	3-Phosphoadenylylselenate	C10H15N5O13P2Se	554.930664	NA	HMDB2010	NA	NA
+C05696	3'-Phosphoadenylylselenate	C10H15N5O13P2Se	554.9307	NA	KEGG	NA	NA
+PJ005149	CCCNN 	C17H29N7O8S3	555.124	NA	PeJP	NA	NA
+PJ005150	SCCDE 	C18H29N5O11S2	555.1305	NA	PeJP	NA	NA
+PJ005151	PCCCM 	C19H33N5O6S4	555.1314	NA	PeJP	NA	NA
+MJ080426	Tunichrome An1 	C26H25N3O11	555.148908	NA	MeJP	NA	NA
+PJ005152	GCDMM 	C19H33N5O8S3	555.1492	NA	PeJP	NA	NA
+PJ005153	GCDDF 	C22H29N5O10S	555.1635	NA	PeJP	NA	NA
+PJ005154	SSCEM 	C19H33N5O10S2	555.1669	NA	PeJP	NA	NA
+PJ005155	GCCHH 	C20H29N9O6S2	555.1682	NA	PeJP	NA	NA
+MJ080427	Baumycin C1 	C28H29NO11	555.17406	NA	MeJP	NA	NA
+MJ080428	Simmondsin; Di-O-de-Me, 2,4-di-O-benzoyl 	C28H29NO11	555.17406	NA	MeJP	NA	NA
+MJ080429	Simmondsin; Di-O-de-Me, 3,4-di-O-benzoyl 	C28H29NO11	555.17406	NA	MeJP	NA	NA
+PJ005156	GSDDY 	C22H29N5O12	555.1813	NA	PeJP	NA	NA
+PJ005157	APCCY 	C23H33N5O7S2	555.1822	NA	PeJP	NA	NA
+PJ005158	GSMMM 	C20H37N5O7S3	555.1855	NA	PeJP	NA	NA
+PJ005159	PPCCH 	C22H33N7O6S2	555.1934	NA	PeJP	NA	NA
+MJ080430	Fiduxosin 	C30H29N5O4S	555.194025	NA	MeJP	NA	NA
+MJ080431	Tiapamil 	C26H37NO8S2	555.196058	NA	MeJP	NA	NA
+C13765	Tiapamil	C26H37NO8S2	555.1961	NA	KEGG	NA	NA
+PJ005160	NEMY 	C23H33N5O9S	555.1999	NA	PeJP	NA	NA
+PJ005161	SSTMM 	C20H37N5O9S2	555.2033	NA	PeJP	NA	NA
+PJ005162	GNNDH 	C20H29N9O10	555.2038	NA	PeJP	NA	NA
+C12475	Desmethyldescarbamoylnovobiocin	C29H33NO10	555.2104	NA	KEGG	NA	NA
+MJ080432	Aklavine; N-De-Me 	C29H33NO10	555.210446	NA	MeJP	NA	NA
+MJ080433	Auramycin C; 4'-Deglycosyl 	C29H33NO10	555.210446	NA	MeJP	NA	NA
+PJ005163	CDRY 	C22H33N7O8S	555.2112	NA	PeJP	NA	NA
+PJ005164	GMYW 	C27H33N5O6S	555.2152	NA	PeJP	NA	NA
+PJ005165	GSTEY 	C23H33N5O11	555.2177	NA	PeJP	NA	NA
+PJ005166	QMMF 	C24H37N5O6S2	555.2185	NA	PeJP	NA	NA
+PJ005167	ACCLF 	C24H37N5O6S2	555.2186	NA	PeJP	NA	NA
+MJ080434	Saframycin A; Decyano, 14?-hydroxy, ring E hydroquinone 	C28H33N3O9	555.221679	NA	MeJP	NA	NA
+PJ005168	AAEEH 	C22H33N7O10	555.2289	NA	PeJP	NA	NA
+PJ005169	CMFR 	C23H37N7O5S2	555.2298	NA	PeJP	NA	NA
+MJ080435	Antibiotic UCH 15A; N4'-Hydroxy 	C23H29N11O6	555.230227	NA	MeJP	NA	NA
+MJ080436	Pyrronamycin A; 7'-N-Hydroxy 	C23H29N11O6	555.230227	NA	MeJP	NA	NA
+PJ005170	STYW 	C27H33N5O8	555.2329	NA	PeJP	NA	NA
+PJ005171	DKMY 	C24H37N5O8S	555.2363	NA	PeJP	NA	NA
+PJ005172	GSQQH 	C21H33N9O9	555.2401	NA	PeJP	NA	NA
+PJ005173	DEHR 	C21H33N9O9	555.2402	NA	PeJP	NA	NA
+7711	NA	GWNNLHEGW~	555.2429	MH2+	Inhouse_peptide	NA	peptide
+PJ005174	VDHW 	C26H33N7O7	555.2442	NA	PeJP	NA	NA
+MJ080437	Nicotaxine 	C30H37NO9	555.246831	NA	MeJP	NA	NA
+PJ005175	SMRY 	C23H37N7O7S	555.2475	NA	PeJP	NA	NA
+PJ005176	GFFW 	C31H33N5O5	555.2482	NA	PeJP	NA	NA
+PJ005177	SSSLY 	C24H37N5O10	555.2541	NA	PeJP	NA	NA
+PJ005178	KMMF 	C25H41N5O5S2	555.2549	NA	PeJP	NA	NA
+2879	opioid fragment of beta-lipotropin L-enkephalin	YGGFL	555.257	antibacterial	Inhouse_peptide	NA	peptide
+8122	secretory peptide hormone - (Leu)enkephalin	YGGFL	555.257	anticancer	Inhouse_peptide	NA	peptide
+7804	ACE inhibitor from as2-casein	ALNEINQFY	555.2609	MH2+	Inhouse_peptide	NA	peptide
+MJ080438	Viridenomycin 	C34H37NO6	555.262087	NA	MeJP	NA	NA
+PJ005179	GTLEH 	C23H37N7O9	555.2653	NA	PeJP	NA	NA
+HMDB01045	Enkephalin L	C28H37N5O7	555.269287	NA	HMDB2010	NA	NA
+HMDB01045	Enkephalin L	C28H37N5O7	555.26929	http://www.hmdb.ca/metabolites/HMDB01045	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01045	Enkephalin L	C28H37N5O7	555.26929	http://www.hmdb.ca/metabolites/HMDB01045	HMDB	NA	NA
+HMDB01045	Enkephalin L	C28H37N5O7	555.26929	NA  ;SYN:Thyroxine sulfate; Thyroxine sulfic acid;L-Thyroxine sulfate; T4S; 3,5,3',5'-tetraiodo-L-thyronine 4'-O-sulfate; 3-[4-(4-hydroxy-3,5-diiodophenoxy-4-O-sulfate)-3,5-diiodophenyl]-L-alanine; O-(4-hydroxy-3,5-diiodophenyl-4-O-sulfate)-3,5-diiodo-L-tyrosine; 3,5,3',5'-tetraiodo-L-thyronine 4-O-sulfate; L-Thyroxine 4'-O-sulfateH2Blood	Inhouse_peptide	NA	peptide
+HMDB01045	Enkephalin L	C28H37N5O7	555.26929	http://www.hmdb.ca/metabolites/HMDB01045	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01045	Enkephalin L	C28H37N5O7	555.26929	HMDB01045	PFEM_hmdb_metabocards_official	NA	NA
+PJ005180	VQFY 	C28H37N5O7	555.2693	NA	PeJP	NA	NA
+2917	neuropeptide from eyestalk of Macrobrachium rosenb	SDRNFLRFG	555.2724	MH2+	Inhouse_peptide	NA	peptide
+MJ080439	Butirosin A 	C21H41N5O12	555.275171	NA	MeJP	NA	NA
+MJ080440	Nebramycin factor 7 	C21H41N5O12	555.275171	NA	MeJP	NA	NA
+C17585	Butirosin A	C21H41N5O12	555.2752	NA	KEGG	NA	NA
+C17586	Butirosin B	C21H41N5O12	555.2752	NA	KEGG	NA	NA
+C17997	Oxyapramycin	C21H41N5O12	555.2752	NA	KEGG	NA	NA
+PJ005181	GSQKH 	C22H37N9O8	555.2765	NA	PeJP	NA	NA
+PJ005182	TLHW 	C27H37N7O6	555.2805	NA	PeJP	NA	NA
+PJ005183	GPVHF 	C27H37N7O6	555.2806	NA	PeJP	NA	NA
+MJ080441	Beiwudine 	C31H41NO8	555.283217	NA	MeJP	NA	NA
+MJ080442	Pyrohypaconitine 	C31H41NO8	555.283217	NA	MeJP	NA	NA
+PJ005184	GVLMH 	C24H41N7O6S	555.2839	NA	PeJP	NA	NA
+PJ005185	PPTLE 	C25H41N5O9	555.2905	NA	PeJP	NA	NA
+PJ005186	PHFR 	C26H37N9O5	555.2918	NA	PeJP	NA	NA
+PJ005187	LMHR 	C23H41N9O5S	555.2952	NA	PeJP	NA	NA
+PJ005188	SSLLH 	C24H41N7O8	555.3017	NA	PeJP	NA	NA
+PJ005189	VKFY 	C29H41N5O6	555.3057	NA	PeJP	NA	NA
+PJ005190	PPVLM 	C26H45N5O6S	555.3091	NA	PeJP	NA	NA
+3793	NA	QRPR	555.312	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ005191	GPVQR 	C23H41N9O7	555.3129	NA	PeJP	NA	NA
+MJ080443	Pateamine 	C31H45N3O4S	555.313077	NA	MeJP	NA	NA
+MJ080444	Talatizamine; O1,O18-Di-de-Me, O8,O14-di-Me, 18-O-(2-methoxybenzoyl) 	C32H45NO7	555.319602	NA	MeJP	NA	NA
+PJ005192	PQRR 	C22H41N11O6	555.3242	NA	PeJP	NA	NA
+PJ005193	PVVLE 	C26H45N5O8	555.3268	NA	PeJP	NA	NA
+EUR900	Lyso PE 22:2 [M+Na]+	C27H52NO7P	555.330088	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR900	Lyso PE 22:2 [M+Na]+	C27H52NO7P	555.330088	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR900	Lyso PE 22:2 [M+Na]+	C27H52NO7P	555.330088	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR900	Lyso PE 22:2 [M+Na]+	C27H52NO7P	555.330088	masses lipides attendues	Inhousejuil11	NA	NA
+EUR791	Lyso PC 22:5 [M-H-CH3]-	C30H52NO7P	555.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR791	Lyso PC 22:5 [M-H-CH3]-	C30H52NO7P	555.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR791	Lyso PC 22:5 [M-H-CH3]-	C30H52NO7P	555.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR791	Lyso PC 22:5 [M-H-CH3]-	C30H52NO7P	555.332492	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005194	SPPKK 	C25H45N7O7	555.3381	NA	PeJP	NA	NA
+PJ005195	GPVKR 	C24H45N9O6	555.3493	NA	PeJP	NA	NA
+EUR707	Lyso PE (20:0) [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR862	Lyso PE 20:0 [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR707	Lyso PE (20:0) [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR862	Lyso PE 20:0 [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR707	Lyso PE (20:0) [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR862	Lyso PE 20:0 [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR707	Lyso PE (20:0) [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	Inhousejuil11	NA	NA
+EUR862	Lyso PE 20:0 [M+FA-H]-	C25H52NO7P	555.353022	masses lipides attendues	Inhousejuil11	NA	NA
+EUR658	Lyso PC 16:0 [M-H+acetate]-	C24H50NO7P	555.353592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR658	Lyso PC 16:0 [M-H+acetate]-	C24H50NO7P	555.353592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR658	Lyso PC 16:0 [M-H+acetate]-	C24H50NO7P	555.353592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR658	Lyso PC 16:0 [M-H+acetate]-	C24H50NO7P	555.353592	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005196	PKRR 	C23H45N11O5	555.3605	NA	PeJP	NA	NA
+MJ080445	Fellutamide A; 1''-Deoxy 	C27H49N5O7	555.363198	NA	MeJP	NA	NA
+PJ005197	PTLLL 	C27H49N5O7	555.3632	NA	PeJP	NA	NA
+PJ005198	APLKK 	C26H49N7O6	555.3745	NA	PeJP	NA	NA
+PJ005199	VVLLL 	C28H53N5O6	555.3996	NA	PeJP	NA	NA
+MJ080446	Didemniserinolipid A; O-De-Ac 	C31H57NO7	555.413503	NA	MeJP	NA	NA
+HMDB10697	Ceramide (t18:0/16:0)	C34H69NO4	555.522644	NA	HMDB2010	NA	NA
+MJ080447	2-Amino-1,3,4-octadecanetriol, N-Hexadexanoyl 	C34H69NO4	555.522659	NA	MeJP	NA	NA
+3123	a1-chain of collagen fr,:431-438	PAGKNGETGPQG	555.75445	MH2+	Inhouse_peptide	NA	peptide
+3684	NA	KKFHIRKR	555.847	MH2+	Inhouse_peptide	NA	peptide
+MJ080448	Almagate 	C2H14Al2Mg6O20	555.881171	NA	MeJP	NA	NA
+MJ080449	Echinosulfonic acid C 	C19H14Br2N2O6S	555.893932	NA	MeJP	NA	NA
+FL5FADNSS005	Isorhamnetin 3,7,4'-tri-O-sulfate	C16H12O16S3	555.92874	79175-00-1	knapsack	NA	NA
+FL5FCCNSS002	Rhamnetin 3,5,4'-tri-O-sulfate	C16H12O16S3	555.92874	-	knapsack	NA	NA
+FL5FCCNSS004	Quercetin 7-methyl ether 3,3',4'-trisulfate;Rhamnetin 3,3',4'-trisulfate;2-[3,4-Bis(sulfooxy)phenyl]-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-benzopyran-4-one	C16H12O16S3	555.92874	116353-84-5	knapsack	NA	NA
+MJ080450	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3,3',4'-Tri-O-sulfate 	C16H12O16S3	555.928746	NA	MeJP	NA	NA
+MJ080451	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,4',7-Tri-O-sulfate 	C16H12O16S3	555.928746	NA	MeJP	NA	NA
+MJ080452	3'-Phosphoadenylylselenate 	C10H16N5O13P2Se	555.938505	NA	MeJP	NA	NA
+MJ080453	Mauritamide A 	C15H22Br2N6O5S	555.973913	NA	MeJP	NA	NA
+MJ080454	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2-O-Sulfo-?-D-glucuronopyranoside) 	C22H20O15S	556.05229	NA	MeJP	NA	NA
+FL3FFAGSS003	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid 2-(hydrogen sulfate)	C22H20O15S	556.05229	351223-97-7	knapsack	NA	NA
+MJ080455	Cassiamin C; 6-Hydroxy, 7-chloro 	C30H17ClO9	556.056109	NA	MeJP	NA	NA
+MJ080456	Leptosin F 	C25H24N4O3S4	556.073123	NA	MeJP	NA	NA
+MJ080457	Amentoflavone; 2'',3''-Dihydro, 5'''-hydroxy (S-) 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080458	Dicranolomin; 3'''-Deoxy, 2,3-dihydro 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080459	Ephedrannin A 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080460	Fuscofusarin 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080461	Hegoflavone A 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080462	Morelloflavone 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080463	Robustaflavone; 5'''-Hydroxy, 2,3-dihydro 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080464	Volkensiflavone, 3'-Hydroxy 	C30H20O11	556.100561	NA	MeJP	NA	NA
+MJ080465	Volkensiflavone, 3''-Hydroxy 	C30H20O11	556.100561	NA	MeJP	NA	NA
+PJ005200	CCCND 	C17H28N6O9S3	556.108	NA	PeJP	NA	NA
+MJ080466	Salvianolic acid K 	C27H24O13	556.12169	NA	MeJP	NA	NA
+MJ080467	Oxysceptrin; Monodebromo 	C22H25BrN10O3	556.129447	NA	MeJP	NA	NA
+MJ080468	Cefluprenam 	C20H25FN8O6S2	556.13225	NA	MeJP	NA	NA
+C08995	Aurasperone D	C31H24O10	556.1369	NA	KEGG	NA	NA
+MJ080469	Amentoflavone; 2,2'',3,3''-Tetrahydro, 7-Me ether 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080470	Aurasperone C; 2,2'-Dideoxy, 2,2',3,3'-tetradehydro 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080471	Aurasperone D 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080472	Chamaejasmin, 4'-Me ether 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080473	Nigerone; 6-O-De-Me 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080474	Ochnaflavone; 2,2'',3,3''-Tetrahydro, 7-Me ether 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080475	Rubioncolin B 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080476	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2'-Benzoyl, 3',5',6'-tri-Ac 	C31H24O10	556.136946	NA	MeJP	NA	NA
+MJ080477	Adoxosidic acid; 10-O-(4-Carboxy-2,5-dihydroxybenzoyl) 	C24H28O15	556.14282	NA	MeJP	NA	NA
+PJ005201	SCCNM 	C18H32N6O8S3	556.1444	NA	PeJP	NA	NA
+FL63ACGS0025	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate;(2R,3R)-3-(Benzoyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl beta-D-glucopyranoside	C28H28O12	556.15807	323586-47-6	knapsack	NA	NA
+MJ080478	3,3',4',5,7-Pentahydroxyflavan, 3-Benzoyl, 5-O-?-D-glucopyranoside 	C28H28O12	556.158076	NA	MeJP	NA	NA
+MJ080479	3-(4-Hydroxyphenyl)-2-propenoic acid, O-[4-Hydroxy-E-cinnamoyl-(?6)-2,4-di-O-acetyl-?-D-glucopyranoside] 	C28H28O12	556.158076	NA	MeJP	NA	NA
+MJ080480	Diphyllin; O-[3-O-Methyl-?-D-glucopyranoside] 	C28H28O12	556.158076	NA	MeJP	NA	NA
+MJ080481	Iresinoside 	C28H28O12	556.158076	NA	MeJP	NA	NA
+MJ080482	Niceritrol 	C29H24N4O8	556.159413	NA	MeJP	NA	NA
+PJ005202	GSSTCC 	C18H32N6O10S2	556.1622	NA	PeJP	NA	NA
+MJ080483	Camptothecin, 9-Methoxy, 10-?-D-glucopyranosyloxy 	C27H28N2O11	556.169309	NA	MeJP	NA	NA
+MJ080484	Desoxycordifolinic acid 	C27H28N2O11	556.169309	NA	MeJP	NA	NA
+MJ080485	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide, 2,9,12-tri-Ac 	C26H33ClO11	556.171139	NA	MeJP	NA	NA
+MJ080486	7-Hydroxy-4'-methoxyisoflavan-2',5'-quinone(4?5')-2',7-dihydroxy-4'-methoxyisoflavan 	C32H28O9	556.173332	NA	MeJP	NA	NA
+MJ080487	Anhydrophlegmacin-9,10-quinone A2; 10-Deoxo 	C32H28O9	556.173332	NA	MeJP	NA	NA
+MJ080488	Shikometabolin A 	C32H28O9	556.173332	NA	MeJP	NA	NA
+MJ080489	Shikometabolin B 	C32H28O9	556.173332	NA	MeJP	NA	NA
+MJ080490	Torosanin 	C32H28O9	556.173332	NA	MeJP	NA	NA
+PJ005203	GCCQF 	C22H32N6O7S2	556.1774	NA	PeJP	NA	NA
+C11668	7-Dehydrologanin tetraacetate	C25H32O14	556.1792	NA	KEGG	NA	NA
+C11669	Deutzioside pentaacetate	C25H32O14	556.1792	NA	KEGG	NA	NA
+MJ080491	2-Acetyl-1,3,6,8-naphthalenetetrol; 1,6-Di-Me ether, 3-O-?-D-apiofuranoside, 8-O-?-D-glucopyranoside 	C25H32O14	556.179205	NA	MeJP	NA	NA
+MJ080492	5-Acetonyl-6-glucosyl-7-hydroxy-2-methyl-4H-1-benzopyran-4-one; 2''-O-?-D-Glucopyranoside 	C25H32O14	556.179205	NA	MeJP	NA	NA
+MJ080493	Isoaloesin; 2''-O-?-D-Glucopyranoside 	C25H32O14	556.179205	NA	MeJP	NA	NA
+MJ080494	Ligustaloside B; 3'-Hydroxy 	C25H32O14	556.179205	NA	MeJP	NA	NA
+MJ080495	Oleuropein; 10-Hydroxy 	C25H32O14	556.179205	NA	MeJP	NA	NA
+PJ005204	SSSSSC 	C18H32N6O12S	556.1799	NA	PeJP	NA	NA
+PJ005205	TCCCK 	C19H36N6O7S3	556.1808	NA	PeJP	NA	NA
+PJ005206	DEMY 	C23H32N4O10S	556.1839	NA	PeJP	NA	NA
+PJ005207	GNDDH 	C20H28N8O11	556.1878	NA	PeJP	NA	NA
+MJ080496	Aloesinol, 1'-Hydroxy, 7-Me ether, 2''-O-cinnamoyl(E-) 	C29H32O11	556.194461	NA	MeJP	NA	NA
+MJ080497	Aloesinol, 7-Me ether, 2''-O-(4-hydroxycinnamoyl)(E-) 	C29H32O11	556.194461	NA	MeJP	NA	NA
+MJ080498	Cordyanhydride B 	C29H32O11	556.194461	NA	MeJP	NA	NA
+MJ080499	Deacylkadsulignan E; 7'-Angeloyl, 7-Ac 	C29H32O11	556.194461	NA	MeJP	NA	NA
+MJ080500	Dehydroaustinol; 7?-Acetoxy, Ac 	C29H32O11	556.194461	NA	MeJP	NA	NA
+MJ080501	Vertisporin; 7',8'-Didehydro, 2',3'-epoxide, 14'-ketone 	C29H32O11	556.194461	NA	MeJP	NA	NA
+PJ005208	GSCQY 	C22H32N6O9S	556.1952	NA	PeJP	NA	NA
+PJ005209	EMMF 	C24H36N4O7S2	556.2026	NA	PeJP	NA	NA
+MJ080502	4-[(4-Bromophenyl)(ethoxyimino)methyl]-1'-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4'-methyl-1,4'-bipiperidine, N-Oxide 	C28H37BrN4O3	556.204903	NA	MeJP	NA	NA
+MJ080503	Macrolidine 	C28H32N2O10	556.205695	NA	MeJP	NA	NA
+PJ005210	SPCNH 	C21H32N8O8S	556.2064	NA	PeJP	NA	NA
+MJ080504	Punaglandin 1 	C27H37ClO10	556.207525	NA	MeJP	NA	NA
+MJ080505	Khelmarin A 	C33H32O8	556.209718	NA	MeJP	NA	NA
+MJ080506	Nordenletin 	C33H32O8	556.209718	NA	MeJP	NA	NA
+MJ080507	Piperaduncin C 	C33H32O8	556.209718	NA	MeJP	NA	NA
+PJ005211	SSSNY 	C22H32N6O11	556.2129	NA	PeJP	NA	NA
+PJ005212	GCCKF 	C23H36N6O6S2	556.2138	NA	PeJP	NA	NA
+MJ080508	15,16-Epoxy-1,2,4,8-tetrahydroxy-18,19-dinor-13(16),14-clerodadien-17,12-olide, 1-Ac, 4-O-?-D-glucopyranoside 	C26H36O13	556.215591	NA	MeJP	NA	NA
+MJ080509	5-Isopropyl-3-methyl-1,2,7-naphthalenetriol; 2,7-Di-O-?-D-glucopyranoside 	C26H36O13	556.215591	NA	MeJP	NA	NA
+MJ080510	Glaucarubol; 2-Ketone, 15-O-?-D-glucopyranoside 	C26H36O13	556.215591	NA	MeJP	NA	NA
+MJ080511	Urceolatoside B 	C26H36O13	556.215591	NA	MeJP	NA	NA
+C11666	11-Hydroxyiridodial glucoside pentaacetate	C26H36O13	556.2156	NA	KEGG	NA	NA
+C11667	8-epi-11-Hydroxyiridodial glucoside pentaacetate	C26H36O13	556.2156	NA	KEGG	NA	NA
+PJ005213	PDYY 	C27H32N4O9	556.2169	NA	PeJP	NA	NA
+PJ005214	DEFF 	C27H32N4O9	556.217	NA	PeJP	NA	NA
+PJ005215	GSQEH 	C21H32N8O10	556.2242	NA	PeJP	NA	NA
+PJ005216	NNFY 	C26H32N6O8	556.2282	NA	PeJP	NA	NA
+MJ080512	Ehletianol C 	C30H36O10	556.230847	NA	MeJP	NA	NA
+MJ080513	Javanicin S; 2-Ac 	C30H36O10	556.230847	NA	MeJP	NA	NA
+MJ080514	Leptolepisol A 	C30H36O10	556.230847	NA	MeJP	NA	NA
+MJ080515	Obacunol; 6?-Acetoxy, 7-Ac 	C30H36O10	556.230847	NA	MeJP	NA	NA
+MJ080516	Orbicuside B; 12-Ketone 	C30H36O10	556.230847	NA	MeJP	NA	NA
+MJ080517	Sesquimarocanol A 	C30H36O10	556.230847	NA	MeJP	NA	NA
+PJ005217	GSCKY 	C23H36N6O8S	556.2316	NA	PeJP	NA	NA
+C18157	3-Vinylbacteriochlorophyllide d	C33H32MgN4O3	556.2325	NA	KEGG	NA	NA
+PJ005218	PMFY 	C28H36N4O6S	556.2356	NA	PeJP	NA	NA
+MJ080518	6,8'-Bismurrayamine A 	C36H32N2O4	556.236207	NA	MeJP	NA	NA
+MJ080519	8,8'-Bismurrayamine A 	C36H32N2O4	556.236207	NA	MeJP	NA	NA
+MJ080520	Kwangsine 	C36H32N2O4	556.236207	NA	MeJP	NA	NA
+MJ080521	Urabaine 	C36H32N2O4	556.236207	NA	MeJP	NA	NA
+PJ005219	LMMY 	C25H40N4O6S2	556.2389	NA	PeJP	NA	NA
+PJ005220	SQHW 	C25H32N8O7	556.2394	NA	PeJP	NA	NA
+MJ080522	Cinepaxadil 	C29H36N2O9	556.24208	NA	MeJP	NA	NA
+PJ005221	AAQMH 	C22H36N8O7S	556.2428	NA	PeJP	NA	NA
+MJ080523	6-Chloro-2,8,9,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 13?,14?-Epoxide, 12-hexanoyl, 2-Ac 	C28H41ClO9	556.24391	NA	MeJP	NA	NA
+C09113	Ingenol 3,20-dibenzoate	C34H36O7	556.2461	NA	KEGG	NA	NA
+MJ080524	11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid, 14-Ketone, 11,15-dibenzoyl 	C34H36O7	556.246103	NA	MeJP	NA	NA
+MJ080525	11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid; 14-Ketone, 11,15-dibenzoyl 	C34H36O7	556.246103	NA	MeJP	NA	NA
+MJ080526	Ingenol; 20-Deoxy, 16-benzoyloxy, 3-benzoyl 	C34H36O7	556.246103	NA	MeJP	NA	NA
+MJ080527	Ingenol; 3,20-Dibenzoyl 	C34H36O7	556.246103	NA	MeJP	NA	NA
+MJ080528	Iryantherin G 	C34H36O7	556.246103	NA	MeJP	NA	NA
+PJ005222	SPPQE 	C23H36N6O10	556.2493	NA	PeJP	NA	NA
+2735	regulating the frequency of heart muscles contraction peptide	IWGCSGKLIC	556.2495	MH2+	Inhouse_peptide	NA	peptide
+MJ080529	Jaspolinaloside 	C27H40O12	556.251976	NA	MeJP	NA	NA
+MJ080530	Javanicinoside I 	C27H40O12	556.251976	NA	MeJP	NA	NA
+MJ080531	Loganic acid; 6'-(6-Hydroxy-2E,6-dimethyl-2,7-octadienoyl), Me ester 	C27H40O12	556.251976	NA	MeJP	NA	NA
+MJ080532	Loganic acid; 7-(6-Hydroxy-2E,6-dimethyl-2,7-octadienoyl), Me ester 	C27H40O12	556.251976	NA	MeJP	NA	NA
+MJ080533	Picconioside II 	C27H40O12	556.251976	NA	MeJP	NA	NA
+PJ005223	VEFY 	C28H36N4O8	556.2533	NA	PeJP	NA	NA
+PJ005224	NMHR 	C21H36N10O6S	556.254	NA	PeJP	NA	NA
+7403	celiac sprue gluten epitope found in secalin	PYPQQPQQQ	556.2545	MH2+	Inhouse_peptide	NA	peptide
+MJ080534	Butirosin A; 6'-Deamino, 6'-hydroxy 	C21H40N4O13	556.259187	NA	MeJP	NA	NA
+MJ080535	Saccharocin; 3'-Hydroxy 	C21H40N4O13	556.259187	NA	MeJP	NA	NA
+PJ005225	ATTQH 	C22H36N8O9	556.2605	NA	PeJP	NA	NA
+PJ005226	GSKEH 	C22H36N8O9	556.2606	NA	PeJP	NA	NA
+PJ005227	GPPTW 	C27H36N6O7	556.2646	NA	PeJP	NA	NA
+MJ080536	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 10-Benzoyl, 7,9-di-Ac 	C31H40O9	556.267232	NA	MeJP	NA	NA
+MJ080537	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 2-Benzoyl, 9,10-di-Ac 	C31H40O9	556.267232	NA	MeJP	NA	NA
+MJ080538	Detigloylswietenine; 3-(2-Methylpropanoyl) 	C31H40O9	556.267232	NA	MeJP	NA	NA
+MJ080539	Humilinolide C; 2,3-Dideacyl, 3-(2-methylpropanoyl) 	C31H40O9	556.267232	NA	MeJP	NA	NA
+MJ080540	Microphyllinic acid; 2'-Me ether, Me ester 	C31H40O9	556.267232	NA	MeJP	NA	NA
+MJ080541	Roridin E; 13'-Ac 	C31H40O9	556.267232	NA	MeJP	NA	NA
+MJ080542	Xylocarpin; 3-O-De-Ac, 3-O-(2-methylpropanoyl) 	C31H40O9	556.267232	NA	MeJP	NA	NA
+PJ005228	PPVNM 	C24H40N6O7S	556.2679	NA	PeJP	NA	NA
+PJ005229	GGPPVM 	C24H40N6O7S	556.268	NA	PeJP	NA	NA
+PJ005230	PFFF 	C32H36N4O5	556.2686	NA	PeJP	NA	NA
+MJ080543	Tripynadine 	C32H37ClN6O	556.271737	NA	MeJP	NA	NA
+PJ005231	GSTHR 	C21H36N10O8	556.2718	NA	PeJP	NA	NA
+PJ005232	LMFF 	C29H40N4O5S	556.272	NA	PeJP	NA	NA
+7371	celiac sprue gluten epitope found in hordein	PQQLPQQQF	556.273	MH2+	Inhouse_peptide	NA	peptide
+7378	celiac sprue gluten epitope found in hordein	QLPQQQFPQ	556.273	MH2+	Inhouse_peptide	NA	peptide
+7404	celiac sprue gluten epitope found in secalin	QFPQQPQQI	556.273	MH2+	Inhouse_peptide	NA	peptide
+PJ005233	SKHW 	C26H36N8O6	556.2758	NA	PeJP	NA	NA
+MJ080544	Pacifidine 	C30H40N2O8	556.278466	NA	MeJP	NA	NA
+PJ005234	GPPMR 	C23H40N8O6S	556.2792	NA	PeJP	NA	NA
+PJ005235	SPPKE 	C24H40N6O9	556.2857	NA	PeJP	NA	NA
+MJ080545	10(20)-Grayanotoxene-3,5,6,14,16-pentol, O6-Ac, 3-O-?-D-glucopyranoside 	C28H44O11	556.288362	NA	MeJP	NA	NA
+MJ080546	3,6,9-Trihydroxy-13-labden-16,15-olide, 3-O-?-D-Glucopyranoside, 6-Ac 	C28H44O11	556.288362	NA	MeJP	NA	NA
+MJ080547	Nigakihemiacetal C; 12-Me ether, 16-O-?-D-glucopyranoside(16?-) 	C28H44O11	556.288362	NA	MeJP	NA	NA
+MJ080548	N-Methyltyrosyl-N-methyltyrosylleucylalanine; L-L-L-form 	C29H40N4O7	556.289699	NA	MeJP	NA	NA
+PJ005236	VLYY 	C29H40N4O7	556.2897	NA	PeJP	NA	NA
+MJ080549	Chaetoglobosin K 	C34H40N2O5	556.293722	NA	MeJP	NA	NA
+PJ005237	GPVER 	C23H40N8O8	556.2969	NA	PeJP	NA	NA
+MJ080550	Dronedarone 	C31H44N2O5S	556.297093	NA	MeJP	NA	NA
+PJ005238	AAPLW 	C28H40N6O6	556.301	NA	PeJP	NA	NA
+C08797	Cucurbitacin E	C32H44O8	556.3036	NA	KEGG	NA	NA
+MJ080551	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 20-Ac 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080552	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 25-Ac 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080553	3,12-Dihydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 3-Ac 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080554	3,16,20,25-Tetrahydroxycucurbita-1(10),5,23-triene-2,11,22-trione, 25-Ac 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080555	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 16-Hydroxy, 12-(2E,4E-decadienoyl), 13-Ac 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080556	Havanensin; Tri-Ac 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080557	Milbemycin ?3; 23S-Hydroxy, 5-ketone 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080558	Oscillatoxin D; 30?-Methyl 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080559	Salannic acid; 1-(3-Methylbutanoyl), Me ester 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080560	Superolivetoric acid; 2',4-Di-Me ether 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MJ080561	Wikstrotoxin B 	C32H44O8	556.303618	NA	MeJP	NA	NA
+MetaCyc03850	cucurbitacin E []	C32H44O8	556.303618	NA	metacyc	NA	NA
+PJ005239	PPCLK 	C25H44N6O6S	556.3043	NA	PeJP	NA	NA
+PJ005240	PERR 	C22H40N10O7	556.3082	NA	PeJP	NA	NA
+3747	NA	LGTIPG	556.309	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ005241	PVRW 	C27H40N8O5	556.3122	NA	PeJP	NA	NA
+MJ080562	Hennoxazole A; 4-Ac 	C31H44N2O7	556.314851	NA	MeJP	NA	NA
+MJ080563	Lappaconidine; O4-(2-Methylaminobenzoyl), O1-Me 	C31H44N2O7	556.314851	NA	MeJP	NA	NA
+PJ005242	APLKE 	C25H44N6O8	556.3221	NA	PeJP	NA	NA
+PJ005243	APTLR 	C24H44N8O7	556.3333	NA	PeJP	NA	NA
+MJ080564	3,22,25-Trihydroxy-12-oxo-13,15,17(20),23-isomalabaricatetraen-29-oic acid, 22-Me ether, 3-Ac 	C33H48O7	556.340003	NA	MeJP	NA	NA
+MJ080565	3,24,25-Trihydroxy-12-oxo-13,15,17(20),22-isomalabaricatetraen-29-oic acid, 24-Me ether, 3-Ac 	C33H48O7	556.340003	NA	MeJP	NA	NA
+MJ080566	Deoxyazadirachtolide 	C33H48O7	556.340003	NA	MeJP	NA	NA
+MJ080567	Kazusamycin 	C33H48O7	556.340003	NA	MeJP	NA	NA
+MJ080568	Milbemycin D 	C33H48O7	556.340003	NA	MeJP	NA	NA
+MJ080569	Milbemycin ?3; 5-Me ether 	C33H48O7	556.340003	NA	MeJP	NA	NA
+7485	ACE inhibitor (fr,198-202 of bovine as2-casein)	TKVIP	556.345	antioxidative	Inhouse_peptide	NA	peptide
+MJ080570	Hennoxazole A; O2-De-Me, O2-butyl 	C32H48N2O6	556.351237	NA	MeJP	NA	NA
+PJ005244	SPLLK 	C26H48N6O7	556.3585	NA	PeJP	NA	NA
+PJ005245	GVLLR 	C25H48N8O6	556.3697	NA	PeJP	NA	NA
+MJ080571	12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Acetoxypentanoyl) 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080572	12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Propanoyloxybutanoyl) 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080573	2,19,25-Trihydroxy-1,12-ursadien-28-oic acid; 19?-form, 1-(2-Methylpropanoyl) 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080574	2,3-Dihydroxy-12-ursen-28-oic acid, Di-Ac 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080575	3,15-Dihydroxylanosta-8,24-dien-21-oic acid, Di-Ac 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080576	3,15-Dihydroxylanosta-8,24-dien-26-oic acid, Di-Ac 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080577	3-Hydroxy-12-oleanen-28-oic acid, 3-O-(3-Carboxypropanoyl) 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080578	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-Ac, di-Me ester 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080579	C17-Obtusilactone dimer 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080580	Colletochin; O-(2R-Hydroxy-3S-methylpentanoyl) 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080581	Colletochin; O-(2R-Hydroxy-4-methylpentanoyl) 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080582	Deloxolone 	C34H52O6	556.376389	NA	MeJP	NA	NA
+MJ080583	YW 3699 	C34H52O6	556.376389	NA	MeJP	NA	NA
+PJ005246	LLRR 	C24H48N10O5	556.3809	NA	PeJP	NA	NA
+PJ005247	ALLLK 	C27H52N6O6	556.3949	NA	PeJP	NA	NA
+MJ080584	12-Oleanene-3,16,22,28-tetrol, 16-Angeloyl 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080585	12-Oleanene-3,16,22,28-tetrol, 16-O-(3-Methyl-2-butenoyl) 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080586	12-Oleanene-3,16,22,28-tetrol, 16-Tigloyl 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080587	12-Oleanene-3,16,22,28-tetrol, 22-(3-Methyl-2-butenoyl) 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080588	12-Oleanene-3,16,22,28-tetrol, 22-Angeloyl 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080589	3,19-Dihydroxy-12-ursen-28-oic acid, 3-(3-Methylbutanoyl) 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080590	3,22-Dihydroxy-12-ursen-28-oic acid, 3-(3-Methylbutanoyl) 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080591	3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 5'-Deoxo, 1'-O-hexadecanoyl 	C35H56O5	556.412774	NA	MeJP	NA	NA
+MJ080592	2-Octaprenyl-6-methoxyphenol 	C39H56O2	556.428031	NA	MeJP	NA	NA
+MJ080593	12-Oleanen-3-ol, O-Cinnamoyl 	C39H56O2	556.428031	NA	MeJP	NA	NA
+MJ080594	12-Ursen-3-ol, Cinnamoyl 	C39H56O2	556.428031	NA	MeJP	NA	NA
+MJ080595	18-Oleanen-3-ol, O-Cinnamoyl 	C39H56O2	556.428031	NA	MeJP	NA	NA
+MJ080596	20(29)-Lupen-3-ol, Cinnamoyl 	C39H56O2	556.428031	NA	MeJP	NA	NA
+MJ080597	Eupha-8,24-dien-3-ol, O-Cinnamoyl 	C39H56O2	556.428031	NA	MeJP	NA	NA
+MJ080598	2-Alkyl-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-6,8-dimethyl-2-pentacosyl-4H-1-benzopyran-4-one 	C36H60O4	556.44916	NA	MeJP	NA	NA
+MJ080599	2-Heptacosyl-5,7-dihydroxy-4H-1-benzopyran-4-one 	C36H60O4	556.44916	NA	MeJP	NA	NA
+MJ080600	3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-6,11-hopadiene 	C36H60O4	556.44916	NA	MeJP	NA	NA
+C15892	Chloroxanthin	C40H60O	556.4644	NA	KEGG	NA	NA
+C15893	Exendin-3	C40H60O	556.4644	NA	KEGG	NA	NA
+C15894	Exendin-4	C40H60O	556.4644	NA	KEGG	NA	NA
+MJ080601	7,7',8,8'-Tetrahydrolycopene; 1?,2?-Epoxide 	C40H60O	556.464416	NA	MeJP	NA	NA
+MJ080602	Rhodopin; 7',8'-Dihydro 	C40H60O	556.464416	NA	MeJP	NA	NA
+MJ080603	Rhapsamine 	C34H60N4O2	556.471627	NA	MeJP	NA	NA
+MJ080604	3-(4-Hydroxyphenyl)-2-propenoic acid, Octacosyl ester 	C37H64O3	556.485545	NA	MeJP	NA	NA
+MJ080605	8(17)-Labden-15-ol, Carboxylic acid, 9-octadecenyl ester 	C38H68O2	556.521931	NA	MeJP	NA	NA
+3124	a1-chain of collagen fr,:430-438	GPAGKDGEAGAQG	556.74445	MH2+	Inhouse_peptide	NA	peptide
+MJ080606	3-Amino-2,4,6-triiodobenzoic acid; N-Ac 	C9H6I3NO3	556.748173	NA	MeJP	NA	NA
+C14164	Acetrizoic acid	C9H6I3NO3	556.7482	NA	KEGG	NA	NA
+2844	orphanin FQ/nociceptin analog [FQ/N (1-11)]	YGGFTGARKSA	556.771	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc03851	dermatan sulfate disaccharide [DUA-GalNAC-4S;]	C14H23N1O18S2	557.035654	NA	metacyc	NA	NA
+FL3FFCGSS002	8-Hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate	C22H21O15S	557.06011	131622-65-6	knapsack	NA	NA
+PJ005248	CCCDD 	C17H27N5O10S3	557.092	NA	PeJP	NA	NA
+C08115	Cefpodoxime proxetil	C21H27N5O9S2	557.125	NA	KEGG	NA	NA
+C08116	Transferred to D00921	C21H27N5O9S2	557.125	NA	KEGG	NA	NA
+MJ080607	Cefdaloxime; Me ether, 1-[[(1-methylethoxy)carbonyl]oxy]ethyl ester 	C21H27N5O9S2	557.125018	NA	MeJP	NA	NA
+PJ005249	SCCDM 	C18H31N5O9S3	557.1284	NA	PeJP	NA	NA
+PJ005250	ACCMM 	C19H35N5O6S4	557.147	NA	PeJP	NA	NA
+PJ005251	GCCEF 	C22H31N5O8S2	557.1614	NA	PeJP	NA	NA
+PJ005252	SSCMM 	C19H35N5O8S3	557.1648	NA	PeJP	NA	NA
+PJ005253	GDDDH 	C20H27N7O12	557.1718	NA	PeJP	NA	NA
+PJ005254	CCFW 	C26H31N5O5S2	557.1767	NA	PeJP	NA	NA
+PJ005255	GSCEY 	C22H31N5O10S	557.1792	NA	PeJP	NA	NA
+C11282	Azidopine	C27H26F3N5O5	557.1886	NA	KEGG	NA	NA
+MJ080608	Azidopine 	C27H26F3N5O5	557.188603	NA	MeJP	NA	NA
+C12426	Rhodomycin D	C28H31NO11	557.1897	NA	KEGG	NA	NA
+MJ080609	Baumycin C1; 8-De-Ac, 8-(1-hydroxyethyl) 	C28H31NO11	557.18971	NA	MeJP	NA	NA
+MJ080610	Carbolbicin; Me ester 	C28H31NO11	557.18971	NA	MeJP	NA	NA
+PJ005256	SPCDH 	C21H31N7O9S	557.1904	NA	PeJP	NA	NA
+PJ005257	SCYW 	C26H31N5O7S	557.1944	NA	PeJP	NA	NA
+PJ005258	SSSDY 	C22H31N5O12	557.1969	NA	PeJP	NA	NA
+PJ005259	NMMY 	C23H35N5O7S2	557.1978	NA	PeJP	NA	NA
+PJ005260	GCNQH 	C20H31N9O8S	557.2017	NA	PeJP	NA	NA
+MJ080611	Acrimarine A; 3-Me ether 	C32H31NO8	557.204966	NA	MeJP	NA	NA
+MJ080612	Aristoloterpenate I 	C32H31NO8	557.204966	NA	MeJP	NA	NA
+MJ080613	Aristophyllide A 	C32H31NO8	557.204966	NA	MeJP	NA	NA
+PJ005261	GSEEH 	C21H31N7O11	557.2082	NA	PeJP	NA	NA
+PJ005262	PVCCH 	C22H35N7O6S2	557.209	NA	PeJP	NA	NA
+PJ005263	APCMH 	C22H35N7O6S2	557.2091	NA	PeJP	NA	NA
+PJ005264	NDFY 	C26H31N5O9	557.2122	NA	PeJP	NA	NA
+PJ005265	GSTMY 	C23H35N5O9S	557.2156	NA	PeJP	NA	NA
+PJ005266	SSNNH 	C20H31N9O10	557.2194	NA	PeJP	NA	NA
+MJ080614	Uvarindole E 	C36H31NO5	557.220223	NA	MeJP	NA	NA
+PJ005267	SEHW 	C25H31N7O8	557.2234	NA	PeJP	NA	NA
+PJ005268	AAEMH 	C22H35N7O8S	557.2268	NA	PeJP	NA	NA
+MJ080615	Antibiotic LL-BM 547? 	C19H31N11O9	557.230621	NA	MeJP	NA	NA
+PJ005269	NMFF 	C27H35N5O6S	557.2308	NA	PeJP	NA	NA
+MJ080616	?-L-Fucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-galactose; 2'',4'-Di-Me, N-Ac 	C22H39NO15	557.231969	NA	MeJP	NA	NA
+PJ005270	SSTTY 	C23H35N5O11	557.2333	NA	PeJP	NA	NA
+PJ005271	DMHR 	C21H35N9O7S	557.238	NA	PeJP	NA	NA
+PJ005272	GGGCKH 	C21H35N9O7S	557.2381	NA	PeJP	NA	NA
+PJ005273	CLHW 	C26H35N7O5S	557.2421	NA	PeJP	NA	NA
+PJ005274	ATTEH 	C22H35N7O10	557.2446	NA	PeJP	NA	NA
+PJ005275	QHHH 	C23H31N11O6	557.2459	NA	PeJP	NA	NA
+C12011	DMG-MINO	C27H35N5O8	557.2486	NA	KEGG	NA	NA
+PJ005276	VNYY 	C27H35N5O8	557.2486	NA	PeJP	NA	NA
+PJ005277	PPVDM 	C24H39N5O8S	557.252	NA	PeJP	NA	NA
+PJ005278	GPNDR 	C21H35N9O9	557.2558	NA	PeJP	NA	NA
+PJ005279	PQQW 	C26H35N7O7	557.2598	NA	PeJP	NA	NA
+MJ080617	Nodusmicin; 9-(1H-Pyrrole-2-carboxylate), 18-Ac 	C30H39NO9	557.262481	NA	MeJP	NA	NA
+PJ005280	GTLMH 	C23H39N7O7S	557.2632	NA	PeJP	NA	NA
+PJ005281	APLEE 	C24H39N5O10	557.2697	NA	PeJP	NA	NA
+PJ005282	APPHH 	C25H35N9O6	557.2711	NA	PeJP	NA	NA
+MJ080618	N1,N10-Dicoumaroylspermidine; 3',3'',5',5''-Tetramethoxy 	C29H39N3O8	557.273715	NA	MeJP	NA	NA
+PJ005283	STTLH 	C23H39N7O9	557.2809	NA	PeJP	NA	NA
+PJ005284	GPQKE 	C23H39N7O9	557.281	NA	PeJP	NA	NA
+PJ005285	KHHH 	C24H35N11O5	557.2823	NA	PeJP	NA	NA
+PJ005286	TKFY 	C28H39N5O7	557.285	NA	PeJP	NA	NA
+PJ005287	PPTLM 	C25H43N5O7S	557.2883	NA	PeJP	NA	NA
+MJ080619	?-[[3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]benzenebutanoic acid 	C33H39N3O5	557.288971	NA	MeJP	NA	NA
+MJ080620	Propikacin 	C21H43N5O12	557.290821	NA	MeJP	NA	NA
+PJ005288	GPTQR 	C22H39N9O8	557.2922	NA	PeJP	NA	NA
+PJ005289	PQKW 	C27H39N7O6	557.2962	NA	PeJP	NA	NA
+MJ080621	Anopterine; 7?-Hydroxy 	C31H43NO8	557.298867	NA	MeJP	NA	NA
+MJ080622	Delcosine; O14-Benzoyl 	C31H43NO8	557.298867	NA	MeJP	NA	NA
+MJ080623	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-(2-Methylaminobenzoyl), 20-Ac 	C31H43NO8	557.298867	NA	MeJP	NA	NA
+MJ080624	Amphibine G 	C32H39N5O4	557.300204	NA	MeJP	NA	NA
+PJ005290	SPLLE 	C25H43N5O9	557.3061	NA	PeJP	NA	NA
+PJ005291	VHFR 	C26H39N9O5	557.3074	NA	PeJP	NA	NA
+MJ080625	Phomalide 	C30H43N3O7	557.3101	NA	MeJP	NA	NA
+PJ005292	GPKKE 	C24H43N7O8	557.3173	NA	PeJP	NA	NA
+PJ005293	GGGAALL 	C24H43N7O8	557.3174	NA	PeJP	NA	NA
+MJ080626	Nummularine P 	C29H43N5O6	557.321334	NA	MeJP	NA	NA
+PJ005294	PPVVF 	C29H43N5O6	557.3214	NA	PeJP	NA	NA
+PJ005295	PVVLM 	C26H47N5O6S	557.3247	NA	PeJP	NA	NA
+PJ005296	GPTKR 	C23H43N9O7	557.3286	NA	PeJP	NA	NA
+PJ005297	PKKW 	C28H43N7O5	557.3326	NA	PeJP	NA	NA
+PJ005298	VQRR 	C22H43N11O6	557.3398	NA	PeJP	NA	NA
+PJ005299	ALLLE 	C26H47N5O8	557.3425	NA	PeJP	NA	NA
+EUR895	Lyso PE 22:1 [M+Na]+	C27H54NO7P	557.345738	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR895	Lyso PE 22:1 [M+Na]+	C27H54NO7P	557.345738	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR895	Lyso PE 22:1 [M+Na]+	C27H54NO7P	557.345738	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR895	Lyso PE 22:1 [M+Na]+	C27H54NO7P	557.345738	masses lipides attendues	Inhousejuil11	NA	NA
+EUR786	Lyso PC 22:4 [M-H-CH3]-	C30H54NO7P	557.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR786	Lyso PC 22:4 [M-H-CH3]-	C30H54NO7P	557.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR786	Lyso PC 22:4 [M-H-CH3]-	C30H54NO7P	557.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR786	Lyso PC 22:4 [M-H-CH3]-	C30H54NO7P	557.348142	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005300	ARRR 	C21H43N13O5	557.351	NA	PeJP	NA	NA
+PJ005301	SPVKK 	C25H47N7O7	557.3537	NA	PeJP	NA	NA
+PJ005302	AALKR 	C24H47N9O6	557.365	NA	PeJP	NA	NA
+PJ005303	VKRR 	C23H47N11O5	557.3762	NA	PeJP	NA	NA
+PJ005304	SLLLL 	C27H51N5O7	557.3789	NA	PeJP	NA	NA
+PJ005305	GLLKK 	C26H51N7O6	557.3901	NA	PeJP	NA	NA
+C07553	Vecuronium	C34H57N2O4	557.4318	NA	KEGG	NA	NA
+7311	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQQF	557.762	MH2+	Inhouse_peptide	NA	peptide
+7377	celiac sprue gluten epitope found in hordein	QFPQPQQPF	557.762	MH2+	Inhouse_peptide	NA	peptide
+7380	celiac sprue gluten epitope found in hordein	QQPFPQQPF	557.762	MH2+	Inhouse_peptide	NA	peptide
+MJ080627	Phenobutiodil 	C10H9I3O3	557.768574	NA	MeJP	NA	NA
+7516	ACE inhibitor from myosin light chain	RMLGQTPWK	557.7882	MH2+	Inhouse_peptide	NA	peptide
+MJ080628	Tribromospirocacoxanthene; 7-Bromo 	C16H18Br4O2	557.80403	NA	MeJP	NA	NA
+MJ080629	Isoplagiochin C; 6',8',10',12-Tetrachloro 	C28H18Cl4O4	557.995919	NA	MeJP	NA	NA
+MJ080630	Isoplagiochin C; 6',8',10,14'-Tetrachloro 	C28H18Cl4O4	557.995919	NA	MeJP	NA	NA
+FL5FACGSS001	Quercetin 3-glucuronide-7-sulfate	C21H18O16S	558.03155	56857-62-6	knapsack	NA	NA
+FL5FACGSS002	Quercetin 3-glucuronide-3'-sulfate	C21H18O16S	558.03155	-	knapsack	NA	NA
+MJ080631	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 3'-O-sulfate 	C21H18O16S	558.031555	NA	MeJP	NA	NA
+MJ080632	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 7-O-sulfate 	C21H18O16S	558.031555	NA	MeJP	NA	NA
+MJ080633	Napyradiomycin B1; 3'-Dechloro, 3'-bromo 	C25H29BrCl2O5	558.057542	NA	MeJP	NA	NA
+MJ080634	Purealidin H; O4-(3-Trimethylaminopropyl) 	C20H29Br2N6O3(+)	558.058964	NA	MeJP	NA	NA
+MJ080635	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 8-O-?-D-Glucopyranoside, 3'-O-sulfate 	C22H22O15S	558.06794	NA	MeJP	NA	NA
+MJ080636	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-sulfate 	C22H22O15S	558.06794	NA	MeJP	NA	NA
+FL5FAEGLS001	Tamarixetin 3-glucoside-7-sulfate;Quercetin 4'-methyl ether 3-glucoside-7-sulfate;3-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one	C22H22O15S	558.06794	156606-91-6	knapsack	NA	NA
+FL5FDCGSS001	Quercetin 3-methyl ether 5-glucoside-3'-sulfate	C22H22O15S	558.06794	-	knapsack	NA	NA
+MJ080637	Isoxylospyrin 	C33H18O9	558.095082	NA	MeJP	NA	NA
+MJ080638	Xylospyrin 	C33H18O9	558.095082	NA	MeJP	NA	NA
+MJ080639	Periconin B 	C20H29Cl3N4O8	558.105097	NA	MeJP	NA	NA
+MJ080640	Peritoxin A; 4-Deoxy 	C20H29Cl3N4O8	558.105097	NA	MeJP	NA	NA
+MJ080641	Peritoxin A; 7''-Deoxy 	C20H29Cl3N4O8	558.105097	NA	MeJP	NA	NA
+PJ005306	CCCCQ 	C17H30N6O7S4	558.1059	NA	PeJP	NA	NA
+MJ080642	Halopredone; 17,21-Di-Ac 	C25H29BrF2O7	558.106472	NA	MeJP	NA	NA
+MJ080643	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080644	3,3'',4',4''',5,5'',7,7''-Octahydroxy-3',3'''-biflavanone; 3''-Deoxy 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080645	4',5,7-Trihydroxyflavanone(3?3')-?,2',4,4',6'-pentahydroxychalcone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080646	4',5,7-Trihydroxyflavanone-(3?5)-2,4,4',6-tetrahydroxybenzylcoumaranone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080647	4',5,7-Trihydroxyisoflavanone-(2?7)-2,4,4',6-tetrahydroxybenzylcoumaranone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080648	4,4',6-Trihydroxybenzylcoumaranone(2?7)-2,4,4',6-tetrahydroxybenzylcoumaranone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080649	4a-Oxyrugulosin 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080650	Androyol 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080651	Daphnodorin G 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080652	Galluflavanone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080653	Genkwanol B 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080654	Jeediflavanone 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080655	Morelloflavone, 2'',3''-Dihydro 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080656	Rubroskyrin; 1-Deoxy 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080657	Rugulosin, 8-Hydroxy 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080658	Viomellein; 3,4-Didehydro 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080659	Zeyherin 	C30H22O11	558.116211	NA	MeJP	NA	NA
+MJ080660	Emitefur 	C28H19FN4O8	558.118691	NA	MeJP	NA	NA
+PJ005307	GSSCCC 	C17H30N6O9S3	558.1237	NA	PeJP	NA	NA
+MJ080661	Albanol B 	C34H22O8	558.131467	NA	MeJP	NA	NA
+MJ080662	Losulazine 	C27H22F4N4O3S	558.134874	NA	MeJP	NA	NA
+MJ080663	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C27H26O13	558.13734	NA	MeJP	NA	NA
+MJ080664	1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C27H26O13	558.13734	NA	MeJP	NA	NA
+MJ080665	1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] 	C27H26O13	558.13734	NA	MeJP	NA	NA
+MJ080666	Erigoster A 	C27H26O13	558.13734	NA	MeJP	NA	NA
+MJ080667	Vitisidin B; 3-O-(O-Acetyl-?-D-glucopyranoside) 	C27H27O13(+)	558.13734	NA	MeJP	NA	NA
+PJ005308	CCCCK 	C18H34N6O6S4	558.1423	NA	PeJP	NA	NA
+MJ080668	Asystasioside E; 10-(4-Methoxycinnamoyl)(E-) 	C25H31ClO12	558.150404	NA	MeJP	NA	NA
+MJ080669	Asystasioside E; 10-(4-Methoxycinnamoyl)(Z-) 	C25H31ClO12	558.150404	NA	MeJP	NA	NA
+MJ080670	3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 7-Me ether 	C31H26O10	558.152597	NA	MeJP	NA	NA
+MJ080671	7-[2-(3,4-Dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-6-yl]-5,6a,7,12a-tetrahydro[2]benzopyrano[4,3-b][1]benzopyran-3,4,10-triol 	C31H26O10	558.152597	NA	MeJP	NA	NA
+MJ080672	Cardinalin 4; 10a-Deoxy, 4a,10a-didehydro 	C31H26O10	558.152597	NA	MeJP	NA	NA
+MJ080673	Mazatlanone; 7-Methoxy, 1-Me ether 	C31H26O10	558.152597	NA	MeJP	NA	NA
+MJ080674	Mopanane(4?8)-3,3',4,7-tetrahydroxyflavan 	C31H26O10	558.152597	NA	MeJP	NA	NA
+MJ080675	Planifolin 	C31H26O10	558.152597	NA	MeJP	NA	NA
+PJ005309	GCCNY 	C21H30N6O8S2	558.1567	NA	PeJP	NA	NA
+MJ080676	Isoplagiochin G 	C35H26O7	558.167853	NA	MeJP	NA	NA
+MJ080677	Granaticin A; 15-O-(?-L-Rhodinopyranoside) 	C28H30O12	558.173726	NA	MeJP	NA	NA
+MJ080678	Physalin K 	C28H30O12	558.173726	NA	MeJP	NA	NA
+MJ080679	Pillaromycin A 	C28H30O12	558.173726	NA	MeJP	NA	NA
+PJ005310	DMMY 	C23H34N4O8S2	558.1818	NA	PeJP	NA	NA
+MJ080680	Alatrofloxacin 	C26H25F3N6O5	558.183852	NA	MeJP	NA	NA
+PJ005311	GCNEH 	C20H30N8O9S	558.1857	NA	PeJP	NA	NA
+MJ080681	15-Chloro-1,4-epoxy-5,8,9-trihydroxy-11(13)-germacren-12,6-olid-14-oic acid, 8-(2-Hydroxymethyl-2-butenoyl), 9-(2-methylbutanoyl), Me ester 	C26H35ClO11	558.186789	NA	MeJP	NA	NA
+MJ080682	4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan, 3'-Hydroxy 	C32H30O9	558.188982	NA	MeJP	NA	NA
+MJ080683	Biscyclolobin 	C32H30O9	558.188982	NA	MeJP	NA	NA
+MJ080684	7-Hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid; Me ether, [?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C25H34O14	558.194855	NA	MeJP	NA	NA
+MJ080685	Peucedanol, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C25H34O14	558.194855	NA	MeJP	NA	NA
+MJ080686	Peucedanol, 3'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C25H34O14	558.194855	NA	MeJP	NA	NA
+C11662	7-Epiloganin tetraacetate	C25H34O14	558.1949	NA	KEGG	NA	NA
+PJ005312	DDFY 	C26H30N4O10	558.1962	NA	PeJP	NA	NA
+MJ080687	Ustiloxin C 	C23H34N4O10S	558.199564	NA	MeJP	NA	NA
+PJ005313	MMMF 	C24H38N4O5S3	558.2005	NA	PeJP	NA	NA
+PJ005314	CNHW 	C24H30N8O6S	558.2009	NA	PeJP	NA	NA
+PJ005315	SSNDH 	C20H30N8O11	558.2034	NA	PeJP	NA	NA
+MJ080688	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-(2-O-p-Hydroxyphenylacetyl-?-D-glucopyranoside) 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080689	15-Hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-(6-O-p-Hydroxyphenylacetyl-?-D-glucopyranoside) 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080690	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080691	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxyphenylacetyl), 3-O-?-D-glucopyranoside 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080692	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080693	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Hydroxyphenylacetyl), 3-O-?-D-glucopyranoside 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080694	8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-[4-Hydroxyphenylacetyl-(?2)-?-D-glucopyranoside] 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080695	9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-O-[3-(4-Hydroxyphenyl)acetyl-?-D-glucopyranoside] 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080696	9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-[4-(4-Hydroxyphenyl)acetyl-?-D-glucopyranoside] 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080697	9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 15-[6-(4-Hydroxyphenyl)acetyl-?-D-glucopyranoside] 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080698	Brownin G 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080699	Crepiside C; 8-Epimer, 8-O-(p-hydroxyphenylacetyl) 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080700	Kadsurarin; O3-De-Me 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080701	Mutactimycin A; 4'-Me ether 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080702	Myrotoxin A; 12'-Epimer, 8?-acetoxy 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080703	Myrotoxin A; 8?-Acetoxy 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080704	Physalin D; 5-Me ether 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080705	Trijugin A 	C29H34O11	558.210111	NA	MeJP	NA	NA
+MJ080706	Vertisporin; 7',8'-Didehydro, 2',3'-epoxide 	C29H34O11	558.210111	NA	MeJP	NA	NA
+PJ005316	PPCNE 	C22H34N6O9S	558.2108	NA	PeJP	NA	NA
+PJ005317	DMFF 	C27H34N4O7S	558.2148	NA	PeJP	NA	NA
+MJ080707	Trigilletimine 	C35H30N2O5	558.215472	NA	MeJP	NA	NA
+MJ080708	Antibiotic FR 901375 	C24H38N4O7S2	558.21819	NA	MeJP	NA	NA
+PJ005318	GSQMH 	C21H34N8O8S	558.2221	NA	PeJP	NA	NA
+MJ080709	Olmesartan; (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl ester 	C29H30N6O6	558.222682	NA	MeJP	NA	NA
+MJ080710	Punaglandin 1; 17,18-Dihydro 	C27H39ClO10	558.223175	NA	MeJP	NA	NA
+MJ080711	Cassumunarin A 	C33H34O8	558.225368	NA	MeJP	NA	NA
+MJ080712	Cassumunin A 	C33H34O8	558.225368	NA	MeJP	NA	NA
+MJ080713	Cassumunin C 	C33H34O8	558.225368	NA	MeJP	NA	NA
+MJ080714	Napsagatran 	C26H34N6O6S	558.226053	NA	MeJP	NA	NA
+PJ005319	GPPCW 	C26H34N6O6S	558.2261	NA	PeJP	NA	NA
+PJ005320	GPQEE 	C22H34N6O11	558.2286	NA	PeJP	NA	NA
+PJ005321	EHHH 	C23H30N10O7	558.2299	NA	PeJP	NA	NA
+MJ080715	4,12-Tetradecadiene-8,10-diyne-1,6,7-triol; 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H38O13	558.231241	NA	MeJP	NA	NA
+MJ080716	Glaucarubol; 15-O-?-D-Glucopyranoside 	C26H38O13	558.231241	NA	MeJP	NA	NA
+MJ080717	Glaucarubol; 2-O-?-D-Glucopyranoside 	C26H38O13	558.231241	NA	MeJP	NA	NA
+MJ080718	Isojasminin; 4''-Hydroxy 	C26H38O13	558.231241	NA	MeJP	NA	NA
+MJ080719	Jasminin; 2''?-Hydroxy 	C26H38O13	558.231241	NA	MeJP	NA	NA
+PJ005322	VDYY 	C27H34N4O9	558.2326	NA	PeJP	NA	NA
+PJ005323	GSCHR 	C20H34N10O7S	558.2333	NA	PeJP	NA	NA
+PJ005324	GPDDR 	C21H34N8O10	558.2398	NA	PeJP	NA	NA
+PJ005325	PQEW 	C26H34N6O8	558.2438	NA	PeJP	NA	NA
+MJ080720	Affinoside F; 16,17-Didehydro 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080721	Nomilinic acid; Lactone, 7-deoxo, 7?-acetoxy 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080722	O-(3,6-Dihydroxy-7-drimen-11-yl)umbelliferone, 3'-Ketone, O-?-D-glucopyranoside 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080723	Orbicuside B 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080724	Picrasin C; 11-De-Ac, 11-O-(3-methoxy-4,5-methylenedioxybenzoyl) 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080725	Schizantherin K 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080726	Sesquimarocanol B 	C30H38O10	558.246497	NA	MeJP	NA	NA
+MJ080727	Xylocarpin; 6R-Hydroxy, O-de-Ac, 3-O-propanoyl 	C30H38O10	558.246497	NA	MeJP	NA	NA
+PJ005326	SPPQM 	C23H38N6O8S	558.2472	NA	PeJP	NA	NA
+MJ080728	Phycocyanobilin 	C31H34N4O6	558.247834	NA	MeJP	NA	NA
+MJ080729	Phytochromobilin 	C31H34N4O6	558.247834	NA	MeJP	NA	NA
+MJ080730	Urobilins 	C31H34N4O6	558.247834	NA	MeJP	NA	NA
+MJ080731	3,6-Dihydroxypregn-9(11)-en-20-one, 6-O-(6-Deoxy-?-D-glucopyranoside), 3-O-sulfate 	C27H42O10S	558.249868	NA	MeJP	NA	NA
+PJ005327	VMFY 	C28H38N4O6S	558.2512	NA	PeJP	NA	NA
+HMDB05006	Atorvastatin	C33H35FN2O5	558.25299	http://www.hmdb.ca/metabolites/HMDB05006	HMDB	NA	NA
+HMDB05006	Atorvastatin	C33H35FN2O5	558.25299	HMDB05006	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05006	Atorvastatin	C33H35FN2O5	558.252991	NA	HMDB2010	NA	NA
+C06834	Atorvastatin	C33H35FN2O5	558.253	NA	KEGG	NA	NA
+MJ080732	Atorvastatin 	C33H35FN2O5	558.253	NA	MeJP	NA	NA
+7370	celiac sprue gluten epitope found in hordein	PQPYPQQPY	558.254	MH2+	Inhouse_peptide	NA	peptide
+7375	celiac sprue gluten epitope found in hordein	PYPQQPQPY	558.254	MH2+	Inhouse_peptide	NA	peptide
+PJ005328	QQHF 	C25H34N8O7	558.2551	NA	PeJP	NA	NA
+PJ005329	SPPCR 	C22H38N8O7S	558.2584	NA	PeJP	NA	NA
+PJ005330	APWW 	C30H34N6O5	558.2591	NA	PeJP	NA	NA
+MJ080733	4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 11-Me ether, 1,8-diangeloyl, 2-Ac 	C28H43ClO9	558.25956	NA	MeJP	NA	NA
+MJ080734	4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 11-Me ether, 2,8-diangeloyl, 1-Ac 	C28H43ClO9	558.25956	NA	MeJP	NA	NA
+MJ080735	11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid, 11,15-Dibenzoyl 	C34H38O7	558.261753	NA	MeJP	NA	NA
+MJ080736	11,14,15-Trihydroxy-3,12-cyathadien-17-oic acid; 11,15-Dibenzoyl 	C34H38O7	558.261753	NA	MeJP	NA	NA
+PJ005331	GPKEE 	C23H38N6O10	558.265	NA	PeJP	NA	NA
+3585	NA	PQAFP	558.267	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ080737	1,6,15-Trihydroxy-4(15),11(13)-eudesmadien-12-oic acid; 1-(2-Hydroxy-3-methylbutanoyl), 15-O-?-D-glucopyranoside, Me ester 	C27H42O12	558.267626	NA	MeJP	NA	NA
+MJ080738	2,3,12-Calamenenetriol; 3-Me ether, 11-epimer, 12-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H42O12	558.267626	NA	MeJP	NA	NA
+MJ080739	2,3,12-Calamenenetriol; 3-Me ether, 12-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H42O12	558.267626	NA	MeJP	NA	NA
+MJ080740	Javanicinoside D 	C27H42O12	558.267626	NA	MeJP	NA	NA
+MJ080741	Javanicinoside L 	C27H42O12	558.267626	NA	MeJP	NA	NA
+MJ080742	Picconioside III; 6'',7''-Dihydro 	C27H42O12	558.267626	NA	MeJP	NA	NA
+MJ080743	Solanascone; 3?-Hydroxy, 3-O-?-sophoroside 	C27H42O12	558.267626	NA	MeJP	NA	NA
+PJ005332	TLYY 	C28H38N4O8	558.269	NA	PeJP	NA	NA
+MJ080744	4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid 	C33H38N2O6	558.272986	NA	MeJP	NA	NA
+PJ005333	GPTER 	C22H38N8O9	558.2762	NA	PeJP	NA	NA
+MJ080745	Annomuricatin A 	C27H38N6O7	558.280197	NA	MeJP	NA	NA
+PJ005334	PKEW 	C27H38N6O7	558.2802	NA	PeJP	NA	NA
+2618	synthetic fr,of human beta-CN (97-101) ACE inhibitor	GRVMP	558.2824	NA	Inhouse_peptide	NA	peptide
+MJ080746	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 9-Benzoyl, 2-(2-methylbutanoyl), 1,6-di-Ac 	C31H42O9	558.282882	NA	MeJP	NA	NA
+MJ080747	4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylpropanoyl), 13-angeloyl, 20-Ac 	C31H42O9	558.282882	NA	MeJP	NA	NA
+MJ080748	Citreohybridone D; 23-Carboxylic acid, Me ester 	C31H42O9	558.282882	NA	MeJP	NA	NA
+MJ080749	Glycinoeclepin B 	C31H42O9	558.282882	NA	MeJP	NA	NA
+PJ005335	SPPKM 	C24H42N6O7S	558.2836	NA	PeJP	NA	NA
+PJ005336	VFFF 	C32H38N4O5	558.2842	NA	PeJP	NA	NA
+PJ005337	QQQR 	C21H38N10O8	558.2874	NA	PeJP	NA	NA
+PJ005338	GGGGGVR 	C21H38N10O8	558.2875	NA	PeJP	NA	NA
+PJ005339	PTRW 	C26H38N8O6	558.2914	NA	PeJP	NA	NA
+PJ005340	GAKHF 	C26H38N8O6	558.2915	NA	PeJP	NA	NA
+MJ080750	Macbecin I 	C30H42N2O8	558.294116	NA	MeJP	NA	NA
+MJ080751	Ranaconine; O4-(2-Aminobenzoyl) 	C30H42N2O8	558.294116	NA	MeJP	NA	NA
+MJ080752	Sepaconitine 	C30H42N2O8	558.294116	NA	MeJP	NA	NA
+PJ005341	GPVMR 	C23H42N8O6S	558.2948	NA	PeJP	NA	NA
+FL5FAANR0001	Denticulaflavonol;(-)-6-[(2E)-5-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C35H42O6	558.29813	443776-53-2	knapsack	NA	NA
+PJ005342	NNRR 	C20H38N12O7	558.2987	NA	PeJP	NA	NA
+PJ005343	PTTLQ 	C24H42N6O9	558.3013	NA	PeJP	NA	NA
+PJ005344	SPVKE 	C24H42N6O9	558.3014	NA	PeJP	NA	NA
+MJ080753	Petuniasterone A 	C32H46O6S	558.301509	NA	MeJP	NA	NA
+MJ080754	Petuniasterone C; 22-O-[(Methylthio)carbonyl]acetyl 	C32H46O6S	558.301509	NA	MeJP	NA	NA
+MJ080755	7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2-Angeloyl, 5,8-bis(2-methylpropanoyl) 	C28H46O11	558.304012	NA	MeJP	NA	NA
+PJ005345	PMRR 	C22H42N10O5S	558.3061	NA	PeJP	NA	NA
+PJ005346	AALER 	C23H42N8O8	558.3126	NA	PeJP	NA	NA
+PJ005347	LLQW 	C28H42N6O6	558.3166	NA	PeJP	NA	NA
+MJ080756	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080757	3,11,14-Trihydroxybufa-20,22-dienolide, 3-O-(7-Carboxyheptanoyl) 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080758	3,16,20,25-Tetrahydroxycucurbita-1(10),5,23-triene-2,11,22-trione, 23,24-Dihydro, 25-Ac 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080759	3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione, 25-Ac 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080760	Milbemycin ?1; 23S-Hydroxy, 5-Me ether 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080761	Milbemycin ?1; 26-Hydroxy, 5-Me ether 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080762	Milbemycin ?3; 23S-Hydroxy 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080763	Milbemycin ?3; 26-Hydroxy 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080764	Petuniasterone P1 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080765	Petuniolide B 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080766	Piscidinol D; 16-Deoxy 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MJ080767	Vilasinin; 20,21,22,23-Tetrahydro, 23-oxo, 1-(2-methylpropanoyl), 3-Ac 	C32H46O8	558.319268	NA	MeJP	NA	NA
+MetaCyc03852	cucurbitacin B []	C32H46O8	558.319268	NA	metacyc	NA	NA
+C08794	Cucurbitacin B	C32H46O8	558.3193	NA	KEGG	NA	NA
+PJ005348	APLKM 	C25H46N6O6S	558.32	NA	PeJP	NA	NA
+PJ005349	VERR 	C22H42N10O7	558.3238	NA	PeJP	NA	NA
+PJ005350	VVRW 	C27H42N8O5	558.3278	NA	PeJP	NA	NA
+PJ005351	GLLKE 	C25H46N6O8	558.3377	NA	PeJP	NA	NA
+MJ080768	Erythromycin; 5-De(glucosyloxy), 12-deoxy, 5-oxo 	C29H50O10	558.340397	NA	MeJP	NA	NA
+PJ005352	GTLLR 	C24H46N8O7	558.349	NA	PeJP	NA	NA
+PJ005353	LLKW 	C29H46N6O5	558.353	NA	PeJP	NA	NA
+MJ080769	12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl), 20-Ac 	C33H50O7	558.355653	NA	MeJP	NA	NA
+MJ080770	2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 2-Ac, 28-Me ester 	C33H50O7	558.355653	NA	MeJP	NA	NA
+MJ080771	2,3-Dihydroxy-12-oleanene-28,30-dioic acid, 3-Ac, 28-Me ester 	C33H50O7	558.355653	NA	MeJP	NA	NA
+MJ080772	Auripyrone A 	C33H50O7	558.355653	NA	MeJP	NA	NA
+MJ080773	Cholesta-5,22-diene-2,3,16,18-tetrol, 2,16,18-Tri-Ac 	C33H50O7	558.355653	NA	MeJP	NA	NA
+MJ080774	Milbemycin ?2 	C33H50O7	558.355653	NA	MeJP	NA	NA
+PJ005354	QKKR 	C23H46N10O6	558.3602	NA	PeJP	NA	NA
+MJ080775	3,13-Dihydroxy-11-oleanen-28-oic acid, 28?13 Lactone, 3-benzoyl 	C37H50O4	558.37091	NA	MeJP	NA	NA
+MJ080776	3-Hydroxy-11,13(18)-oleanadien-28-oic acid, 3-Benzoyl 	C37H50O4	558.37091	NA	MeJP	NA	NA
+MJ080777	Celastromelidine 	C38H46N4	558.372247	NA	MeJP	NA	NA
+MJ080778	Celastromeline 	C38H46N4	558.372247	NA	MeJP	NA	NA
+MJ080779	Strempeliopsis Bisindole base 	C38H46N4	558.372247	NA	MeJP	NA	NA
+PJ005355	SVLLK 	C26H50N6O7	558.3741	NA	PeJP	NA	NA
+MJ080780	Dasypogalactone 	C30H54O9	558.376783	NA	MeJP	NA	NA
+PJ005356	GVKKK 	C25H50N8O6	558.3854	NA	PeJP	NA	NA
+MJ080781	3,11,13-Trihydroxy-12-oleananone, 3,11-Di-Ac 	C34H54O6	558.392039	NA	MeJP	NA	NA
+MJ080782	Glutinopallal; O5-Octadecanoyl 	C34H54O6	558.392039	NA	MeJP	NA	NA
+MJ080783	Stigmasta-8,14,22-triene-3,5-diol, 3-O-?-D-Xylopyranoside 	C34H54O6	558.392039	NA	MeJP	NA	NA
+PJ005357	KKKR 	C24H50N10O5	558.3966	NA	PeJP	NA	NA
+MJ080784	Stigmasta-5,22-dien-3-ol, 3-O-(4-Hydroxycinnamoyl) 	C38H54O3	558.407295	NA	MeJP	NA	NA
+HMDB07048	DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C35H58O5	558.428406	NA	HMDB2010	NA	NA
+HMDB07328	DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0)	C35H58O5	558.428406	NA	HMDB2010	NA	NA
+MJ080785	Stigmasta-5,24(28)-dien-3-ol, 3-O-?-L-Rhamnopyranoside 	C35H58O5	558.428424	NA	MeJP	NA	NA
+MJ080786	20(29)-Lupen-3-ol, 3-Phenylpropanoyl 	C39H58O2	558.443681	NA	MeJP	NA	NA
+MJ080787	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, hexacosyl ester 	C36H62O4	558.46481	NA	MeJP	NA	NA
+MJ080788	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Hexacosyl ester 	C36H62O4	558.46481	NA	MeJP	NA	NA
+MJ080789	3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-11-hopene 	C36H62O4	558.46481	NA	MeJP	NA	NA
+MJ080790	3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-6-hopene 	C36H62O4	558.46481	NA	MeJP	NA	NA
+MJ080791	2-Alkenyl-4,6-dimethoxyphenols; 2,4-Dimethoxy-6-(20-nonacosenyl)phenol 	C37H66O3	558.501195	NA	MeJP	NA	NA
+MJ080792	5-Alkenyl-2,6-dimethoxyphenols; 2,6-Dimethoxy-4-(20-nonacosenyl)phenol 	C37H66O3	558.501195	NA	MeJP	NA	NA
+MJ080793	Epomusenin A 	C37H66O3	558.501195	NA	MeJP	NA	NA
+MJ080794	Epomusenin B 	C37H66O3	558.501195	NA	MeJP	NA	NA
+MJ080795	Docosahydrocarotene 	C40H78	558.610352	NA	MeJP	NA	NA
+MJ080796	Lycopadiene 	C40H78	558.610352	NA	MeJP	NA	NA
+HMDB01178	Adenosine diphosphate ribose	C15H23N5O14P2	559.071655	NA	HMDB2010	NA	NA
+HMDB12276	Phosphoribosyl-AMP	C15H23N5O14P2	559.071655	NA	HMDB2010	NA	NA
+HMDB01178	Adenosine diphosphate ribose	C15H23N5O14P2	559.07166	http://www.hmdb.ca/metabolites/HMDB01178	HMDB	NA	NA
+HMDB01178	Adenosine diphosphate ribose	C15H23N5O14P2	559.07166	HMDB01178	PFEM_hmdb_metabocards_official	NA	NA
+MJ080797	Adenosine diphosphate ribose 	C15H23N5O14P2	559.071673	NA	MeJP	NA	NA
+MJ080798	Phosphoribosyl-AMP 	C15H23N5O14P2	559.071673	NA	MeJP	NA	NA
+MetaCyc03853	phosphoribosyl-AMP [1-(5-Phosphoribosyl)-AMP;N1-(5-phospho-D-ribosyl)-AMP;5-phosphoribosyl-AMP;N-(5-phospho-D-ribosyl)-AMP;N-(5'-phospho-D-ribosyl)-AMP;]	C15H23N5O14P2	559.071673	NA	metacyc	NA	NA
+MetaCyc03854	ADP-ribose [ADP-D-ribose;adenosine diphosphate ribose;]	C15H23N5O14P2	559.071673	20762-30-5	metacyc	NA	NA
+C00301	ADP-ribose	C15H23N5O14P2	559.0717	NA	KEGG	NA	NA
+C01882	ADP-D-ribose	C15H23N5O14P2	559.0717	NA	KEGG	NA	NA
+C01883	Acetic ester	C2H3O2R	559.0717	NA	KEGG	NA	NA
+C01884	Acyldolichol	C21H35O2R	559.0717	NA	KEGG	NA	NA
+C01885	1-Acylglycerol	C4H7O4R	559.0717	NA	KEGG	NA	NA
+C01887	Alkylnitrile	CNR	559.0717	NA	KEGG	NA	NA
+C02741	Phosphoribosyl-AMP	C15H23N5O14P2	559.0717	NA	KEGG	NA	NA
+C02743	Protein L-cysteine	C4H6N2O2SR2	559.0717	NA	KEGG	NA	NA
+PJ005358	CCCCE 	C17H29N5O8S4	559.0899	NA	PeJP	NA	NA
+MJ080799	Gadoteric acid 	C16H25GdN4O8	559.091339	NA	MeJP	NA	NA
+MJ080800	Deacylconvolutamide; N-Tetradecanoyl 	C24H35Br2NO4	559.093283	NA	MeJP	NA	NA
+PJ005359	TCCCM 	C18H33N5O7S4	559.1263	NA	PeJP	NA	NA
+MJ080801	Gadoteridol 	C17H29GdN4O7	559.127724	NA	MeJP	NA	NA
+C11911	dTDP-D-desosamine	C18H31N3O13P2	559.1332	NA	KEGG	NA	NA
+C11919	dTDP-L-megosamine	C18H31N3O13P2	559.1332	NA	KEGG	NA	NA
+C18031	dTDP-D-angolosamine	C18H31N3O13P2	559.1332	NA	KEGG	NA	NA
+MJ080802	dTDP-D-desosamine 	C18H31N3O13P2	559.133211	NA	MeJP	NA	NA
+PJ005360	GCCDY 	C21H29N5O9S2	559.1407	NA	PeJP	NA	NA
+PJ005361	GCCMF 	C22H33N5O6S3	559.1593	NA	PeJP	NA	NA
+PJ005362	GCDEH 	C20H29N7O10S	559.1697	NA	PeJP	NA	NA
+PJ005363	GSCMY 	C22H33N5O8S2	559.1771	NA	PeJP	NA	NA
+MJ080803	Lamellarin H; 7-Hydroxy, 5,6-dihydro, 7,8,9,12,13,21-hexa-Me ether 	C31H29NO9	559.184231	NA	MeJP	NA	NA
+MJ080804	Neoacrimarine K 	C31H29NO9	559.184231	NA	MeJP	NA	NA
+PJ005364	CDHW 	C24H29N7O7S	559.1849	NA	PeJP	NA	NA
+PJ005365	SSDDH 	C20H29N7O12	559.1874	NA	PeJP	NA	NA
+PJ005366	PTCCH 	C21H33N7O7S2	559.1883	NA	PeJP	NA	NA
+PJ005367	SSTCY 	C22H33N5O10S	559.1948	NA	PeJP	NA	NA
+MJ080805	Obelmycin A 	C28H33NO11	559.20536	NA	MeJP	NA	NA
+MJ080806	Obelmycin G; 7-Hydroxy 	C28H33NO11	559.20536	NA	MeJP	NA	NA
+PJ005368	GSEMH 	C21H33N7O9S	559.2061	NA	PeJP	NA	NA
+PJ005369	CQFY 	C26H33N5O7S	559.2101	NA	PeJP	NA	NA
+PJ005370	GPEEE 	C22H33N5O12	559.2126	NA	PeJP	NA	NA
+PJ005371	SMHW 	C25H33N7O6S	559.2213	NA	PeJP	NA	NA
+PJ005372	SSTEH 	C21H33N7O11	559.2238	NA	PeJP	NA	NA
+PJ005373	AAMMH 	C22H37N7O6S2	559.2247	NA	PeJP	NA	NA
+PJ005374	SQYY 	C26H33N5O9	559.2278	NA	PeJP	NA	NA
+PJ005375	PEEW 	C26H33N5O9	559.2279	NA	PeJP	NA	NA
+MJ080807	Clathrynamide A; N-(1-Methyl-4-oxopentyl) 	C30H42BrNO4	559.229721	NA	MeJP	NA	NA
+PJ005376	SPPEM 	C23H37N5O9S	559.2312	NA	PeJP	NA	NA
+PJ005377	GNNQQ 	C20H33N9O10	559.2351	NA	PeJP	NA	NA
+PJ005378	GSPNW 	C25H33N7O8	559.2391	NA	PeJP	NA	NA
+PJ005379	ATTMH 	C22H37N7O8S	559.2425	NA	PeJP	NA	NA
+PJ005380	CKFY 	C27H37N5O6S	559.2465	NA	PeJP	NA	NA
+PJ005381	SPVEE 	C23H37N5O11	559.249	NA	PeJP	NA	NA
+PJ005382	PPCLM 	C24H41N5O6S2	559.2498	NA	PeJP	NA	NA
+7714	NA	AWQSLQSGWG	559.2505	MH2+	Inhouse_peptide	NA	peptide
+PJ005383	GPCQR 	C21H37N9O7S	559.2537	NA	PeJP	NA	NA
+PJ005384	AHFW 	C29H33N7O5	559.2543	NA	PeJP	NA	NA
+PJ005385	TTTTH 	C22H37N7O10	559.2602	NA	PeJP	NA	NA
+8235	Antioxidative peptide	AGWNI	559.2639	NA  ;SYN:(-)-Asparagine; (S)-2,4-Diamino-4-oxobutanoate; (S)-2,4-Diamino-4-oxobutanoic acid; (S)-Asparagine; 2-Aminosuccinamate; 2-Aminosuccinamic acid; Agedoite; Altheine; Asn; Asparagine; Asparagine acid; Asparamide; Aspartamate; Aspartamic acid; Aspartic acid amide; Aspartic acid b-amide; Aspartic acid beta amide; B2,4-(S)-diamino-4-oxo-utanoate; B2,4-(S)-diamino-4-oxo-utanoic acid; Crystal VI; L-2,4-Diamino-4-oxobutanoate; L-2,4-Diamino-4-oxobutanoic acid; L-Aspartamine; L-b-Asparagine; L-beta-Asparagine; a-Aminosuccinamate; a-Aminosuccinamic acid; alpha Amminosuccinamate; alpha Amminosuccinamic acid; alpha-Aminosuccinamate; alpha-Aminosuccinamic acid; l-AsparagineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ005386	SKYY 	C27H37N5O8	559.2642	NA	PeJP	NA	NA
+PJ005387	APLEM 	C24H41N5O8S	559.2676	NA	PeJP	NA	NA
+PJ005388	QQER 	C21H37N9O9	559.2714	NA	PeJP	NA	NA
+PJ005389	GAQER 	C21H37N9O9	559.2715	NA	PeJP	NA	NA
+MJ080808	2-[[2-[[2-[(2-Amino-3-mercaptopropyl)amino]-3-methylpentyl]oxy]-1-oxo-3-phenylpropyl]amino]-4-(methylsulfonyl)butanoic acid; Isopropyl ester 	C26H45N3O6S2	559.274977	NA	MeJP	NA	NA
+PJ005390	VQQW 	C26H37N7O7	559.2755	NA	PeJP	NA	NA
+PJ005391	GPQKM 	C23H41N7O7S	559.2788	NA	PeJP	NA	NA
+PJ005392	GGAPKM 	C23H41N7O7S	559.2789	NA	PeJP	NA	NA
+MJ080809	1,1-Dimethylethyl [1-(1H-indol-3-ylmethyl)-2-[[octahydro-1,3-dioxo-2-(phenylmethyl)-1H-pyrido[1,2-c]pyrimidin-5-yl]amino]-2-oxoethyl]carbamate 	C31H37N5O5	559.279469	NA	MeJP	NA	NA
+PJ005393	NDRR 	C20H37N11O8	559.2827	NA	PeJP	NA	NA
+PJ005394	GLLEE 	C24H41N5O10	559.2854	NA	PeJP	NA	NA
+PJ005395	AQRW 	C25H37N9O6	559.2867	NA	PeJP	NA	NA
+PJ005396	GPCKR 	C22H41N9O6S	559.2901	NA	PeJP	NA	NA
+EUR888	Lyso PE 20:5 [M-H+acetate]-	C25H42NO7P	559.290992	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR888	Lyso PE 20:5 [M-H+acetate]-	C25H42NO7P	559.290992	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR888	Lyso PE 20:5 [M-H+acetate]-	C25H42NO7P	559.290992	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR888	Lyso PE 20:5 [M-H+acetate]-	C25H42NO7P	559.290992	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005397	GVQKE 	C23H41N7O9	559.2966	NA	PeJP	NA	NA
+PJ005398	LLEW 	C28H41N5O7	559.3006	NA	PeJP	NA	NA
+PJ005399	SPLLM 	C25H45N5O7S	559.304	NA	PeJP	NA	NA
+PJ005400	QKER 	C22H41N9O8	559.3078	NA	PeJP	NA	NA
+MJ080810	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Alanine analogue 	C27H41N7O6	559.311832	NA	MeJP	NA	NA
+PJ005401	VQKW 	C27H41N7O6	559.3119	NA	PeJP	NA	NA
+C10280	Auriculine	C31H45NO8	559.3145	NA	KEGG	NA	NA
+MJ080811	Merresectine B 	C31H45NO8	559.314517	NA	MeJP	NA	NA
+MJ080812	Paludosine 	C31H45NO8	559.314517	NA	MeJP	NA	NA
+MJ080813	Pregnane-3,8,12,14,17,20-hexol, O12-(2-Methylaminobenzoyl), O20-Ac 	C31H45NO8	559.314517	NA	MeJP	NA	NA
+PJ005402	GPKKM 	C24H45N7O6S	559.3152	NA	PeJP	NA	NA
+MJ080814	Americine; N-Me 	C32H41N5O4	559.315854	NA	MeJP	NA	NA
+MJ080815	Discarine I 	C32H41N5O4	559.315854	NA	MeJP	NA	NA
+MJ080816	Ergocryptam 	C32H41N5O4	559.315854	NA	MeJP	NA	NA
+PJ005403	TQRR 	C21H41N11O7	559.3191	NA	PeJP	NA	NA
+PJ005404	SVLLE 	C25H45N5O9	559.3218	NA	PeJP	NA	NA
+PJ005405	AKRW 	C26H41N9O5	559.3231	NA	PeJP	NA	NA
+PJ005406	GVKKE 	C24H45N7O8	559.333	NA	PeJP	NA	NA
+PJ005407	APLLF 	C29H45N5O6	559.337	NA	PeJP	NA	NA
+PJ005408	ALLLM 	C26H49N5O6S	559.3404	NA	PeJP	NA	NA
+PJ005409	KKER 	C23H45N9O7	559.3442	NA	PeJP	NA	NA
+PJ005410	VKKW 	C28H45N7O5	559.3482	NA	PeJP	NA	NA
+MJ080817	Lanepitant 	C33H45N5O3	559.35224	NA	MeJP	NA	NA
+PJ005411	TKRR 	C22H45N11O6	559.3555	NA	PeJP	NA	NA
+PJ005412	TTLLL 	C26H49N5O8	559.3581	NA	PeJP	NA	NA
+EUR890	Lyso PE 22:0 [M+Na]+	C27H56NO7P	559.361388	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR890	Lyso PE 22:0 [M+Na]+	C27H56NO7P	559.361388	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR890	Lyso PE 22:0 [M+Na]+	C27H56NO7P	559.361388	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR890	Lyso PE 22:0 [M+Na]+	C27H56NO7P	559.361388	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005413	ATLKK 	C25H49N7O7	559.3694	NA	PeJP	NA	NA
+MJ080818	Solanidine; O-?-D-Galactopyranoside 	C33H53NO6	559.387288	NA	MeJP	NA	NA
+MJ080819	Solanidine; O-?-D-Glucopyranoside 	C33H53NO6	559.387288	NA	MeJP	NA	NA
+MJ080820	Veralinine; Stereoisomer, 3-?-D-Glucopyranoside 	C33H53NO6	559.387288	NA	MeJP	NA	NA
+MJ080821	Verazine; 3-O-?-D-Glucopyranoside 	C33H53NO6	559.387288	NA	MeJP	NA	NA
+MJ080822	7,9(11)-Multifloradiene-3,29-diol; 3?-form, 3-O-(4-Aminobenzoyl) 	C37H53NO3	559.402544	NA	MeJP	NA	NA
+MJ080823	Pyrinodemin B; 4',5'-Didehydro(Z-) 	C37H57N3O	559.450163	NA	MeJP	NA	NA
+C18203	2,2',4,4',5-Pentabromodiphenyl ether	C12H5Br5O	559.6257	NA	KEGG	NA	NA
+MJ080824	Antibiotic DC 1149B; Bromo analogue 	C20H21BrN2O8S2	559.992269	NA	MeJP	NA	NA
+MJ080825	[[9-(4-Iodophenyl)nonyl]telluro]pentanoic acid 	C20H31IO2Te	560.043096	NA	MeJP	NA	NA
+FL5FFCGSS001	Gossypetin 8-glucoside-3-sulfate	C21H20O16S	560.0472	63109-35-3	knapsack	NA	NA
+MJ080826	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucopyranoside, 3-O-sulfate 	C21H20O16S	560.047205	NA	MeJP	NA	NA
+MJ080827	Trichochrome B 	C23H20N4O9S2	560.067169	NA	MeJP	NA	NA
+MJ080828	Trichochrome C 	C23H20N4O9S2	560.067169	NA	MeJP	NA	NA
+C11460	dTDP-4-oxo-5-C-methyl-L-rhamnose	C17H26N2O15P2	560.0808	NA	KEGG	NA	NA
+MJ080829	Xanthomegnin; O-De-Me 	C29H20O12	560.095476	NA	MeJP	NA	NA
+MJ080830	Sirodesmin A; Trisulfide homologue, 2a-Ac 	C22H28N2O9S3	560.095692	NA	MeJP	NA	NA
+MetaCyc03855	FAD stem group []	C15H26N6O13P2	560.103308	NA	metacyc	NA	NA
+MJ080831	Galpinone 	C33H20O9	560.110732	NA	MeJP	NA	NA
+MJ080832	Sulfamazone 	C23H24N6O7S2	560.114788	NA	MeJP	NA	NA
+FL5FFAGS0024	Herbacetin 8-(2'',3'',4''-triacetylxyloside)	C26H24O14	560.1166	58902-13-9	knapsack	NA	NA
+MJ080833	3,4',5,7,8-Pentahydroxyflavone; 8-O-(2,3,4-Tri-O-acetyl-?-D-xylopyranoside) 	C26H24O14	560.116605	NA	MeJP	NA	NA
+MJ080834	5-Carboxy-3,8-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium; 3-O-?-D-Glucopyranoside 	C26H25O14(+)	560.116605	NA	MeJP	NA	NA
+MJ080835	Vitisidin A; 3-O-?-D-Glucopyranoside 	C26H25O14(+)	560.116605	NA	MeJP	NA	NA
+MJ080836	Ambewelamide A; 6-O-Debutanoyl, 6-hexanoyl 	C26H28N2O8S2	560.128707	NA	MeJP	NA	NA
+MJ080837	Scabrosine; 4'-Hexanoyl, 4-Ac 	C26H28N2O8S2	560.128707	NA	MeJP	NA	NA
+MJ080838	Scabrosine; Dibutanoyl 	C26H28N2O8S2	560.128707	NA	MeJP	NA	NA
+MJ080839	3',4',5,7-Tetrahydroxyflavan(4?8)-3',4',5,7-tetrahydroxyflavanone 	C30H24O11	560.131861	NA	MeJP	NA	NA
+MJ080840	3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,3',5,5',7-pentahydroxyflavan 	C30H24O11	560.131861	NA	MeJP	NA	NA
+MJ080841	3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 3'-Hydroxy 	C30H24O11	560.131861	NA	MeJP	NA	NA
+MJ080842	3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 3'''-Hydroxy 	C30H24O11	560.131861	NA	MeJP	NA	NA
+MJ080843	3,4',7,8-Tetrahydroxyflavan(4?7,5?6)-3,4,4',7,8-pentahydroxyflavan 	C30H24O11	560.131861	NA	MeJP	NA	NA
+MJ080844	Viomellein 	C30H24O11	560.131861	NA	MeJP	NA	NA
+MJ080845	Mulberrofuran I 	C34H24O8	560.147117	NA	MeJP	NA	NA
+MJ080846	Mentzefoliol; 11-O-?-D-Glucopyranoside 	C21H33ClO15	560.150798	NA	MeJP	NA	NA
+MJ080847	3,3',4',5,7-Pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan, 3-O-?-L-Rhamnopyranoside 	C27H28O13	560.15299	NA	MeJP	NA	NA
+MJ080848	3,4-Di-O-caffeoylquinic acid; 5''-Methoxy, 3''-Me ether 	C27H28O13	560.15299	NA	MeJP	NA	NA
+MJ080849	Cassiaoccidentalin B; 3'-Deoxy 	C27H28O13	560.15299	NA	MeJP	NA	NA
+MJ080850	Maysin; 3'-Deoxy 	C27H28O13	560.15299	NA	MeJP	NA	NA
+FL3FAACS0056	3'-Deoxymaysin;Apimaysin;2,6-Anhydro-1-deoxy-5-O-(6-deoxy-alpha-L-mannopyranosyl)-6-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-xylo-3-hexulose	C27H28O13	560.15299	74158-04-6	knapsack	NA	NA
+FL3FAACS0078	Cassiaoccidentalin A;6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H28O13	560.15299	259875-99-5	knapsack	NA	NA
+MJ080851	?-D-Glucopyranosyl-(1?3)-?-D-galactopyranuronosyl-(1?3)-D-mannose; 4'-Ac 	C20H32O18	560.158864	NA	MeJP	NA	NA
+MJ080852	11-Hydroxycanthin-6-one; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28N2O12	560.164224	NA	MeJP	NA	NA
+MJ080853	5-Hydroxycanthin-6-one; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28N2O12	560.164224	NA	MeJP	NA	NA
+MJ080854	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 1'-Ac 	C24H32O15	560.17412	NA	MeJP	NA	NA
+MJ080855	?-L-Arabinofuranosyl-(1?3)-?-D-xylopyranosyl-(1?4)-D-xylose; Pyranose-form, 5''-(4-Hydroxy-E-cinnamoyl) 	C24H32O15	560.17412	NA	MeJP	NA	NA
+PJ005414	GCNMH 	C20H32N8O7S2	560.1836	NA	PeJP	NA	NA
+MJ080856	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-(3-methyl-2-butenoyl), 9,13-di-Ac 	C28H32O12	560.189376	NA	MeJP	NA	NA
+MJ080857	Granatomycin D; 19-O-L-Rhodinoside 	C28H32O12	560.189376	NA	MeJP	NA	NA
+MJ080858	Mutactimycin A; 14-Hydroxy 	C28H32O12	560.189376	NA	MeJP	NA	NA
+MJ080859	Steffimycin; 7-Deoxo 	C28H32O12	560.189376	NA	MeJP	NA	NA
+PJ005415	CEFY 	C26H32N4O8S	560.1941	NA	PeJP	NA	NA
+MJ080860	Kohatine; 1',2',3',4'-Tetradehydro 	C34H28N2O6	560.194736	NA	MeJP	NA	NA
+MJ080861	5S-Carboxystrictosidine; Parent acid 	C27H32N2O11	560.200609	NA	MeJP	NA	NA
+PJ005416	SSCQH 	C20H32N8O9S	560.2013	NA	PeJP	NA	NA
+MJ080862	Lehmbachol A; O10-De-Me, O10-Et 	C32H32O9	560.204632	NA	MeJP	NA	NA
+PJ005417	SPNDE 	C21H32N6O12	560.2078	NA	PeJP	NA	NA
+PJ005418	GGSPDE 	C21H32N6O12	560.2079	NA	PeJP	NA	NA
+PJ005419	PPCNM 	C22H36N6O7S2	560.2087	NA	PeJP	NA	NA
+MJ080863	Suspensolide C 	C25H36O14	560.210505	NA	MeJP	NA	NA
+PJ005420	SEYY 	C26H32N4O10	560.2119	NA	PeJP	NA	NA
+MJ080864	Lanciferine; 10-Hydroxy 	C31H32N2O8	560.215866	NA	MeJP	NA	NA
+PJ005421	GSSSSH 	C20H32N8O11	560.2191	NA	PeJP	NA	NA
+PJ005422	ACCKH 	C21H36N8O6S2	560.22	NA	PeJP	NA	NA
+CJneg0646	Hydroxyretinoic Glucuronide (and isomers) [(M-H)+(HCOONa)]-	C27H36NaO11	560.221325	C18rt(min)=8.95 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0646	Hydroxyretinoic Glucuronide (and isomers) [(M-H)+(HCOONa)]-	C27H36NaO11	560.221325	C18rt(min)=8.95 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ005423	GSPDW 	C25H32N6O9	560.2231	NA	PeJP	NA	NA
+MJ080865	14,15-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-(4-Hydroxyphenylacetyl), 15-O-?-D-glucopyranoside 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080866	3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-O-[6-O-(4-Hydroxyphenylacetyl)-?-D-glucopyranoside] 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080867	5,20-Epoxy-1,2,4,7,10,13,14-heptahydroxy-11-taxen-9-one, 14-Benzoyl, 4-Ac 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080868	5,20-Epoxy-1,2,4,7,10,13,14-heptahydroxy-11-taxen-9-one, 2-Benzoyl, 4-Ac 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080869	8,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide, 11?,13-Dihydro, 15-O-[4-hydroxyphenylacetyl-(?2)-?-D-glucopyranoside] 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080870	Affinoside A; 3'-O-De-Me 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080871	Detigloylswietenine; 2?-Hydroxy, 8?,30?-epoxide, 3-Ac 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080872	Phragmalin 	C29H36O11	560.225761	NA	MeJP	NA	NA
+MJ080873	Syriobioside; 3',12-Diketone 	C29H36O11	560.225761	NA	MeJP	NA	NA
+C08870	Labriformidin	C29H36O11	560.2258	NA	KEGG	NA	NA
+PJ005424	GPQEM 	C22H36N6O9S	560.2265	NA	PeJP	NA	NA
+PJ005425	MHHH 	C23H32N10O5S	560.2278	NA	PeJP	NA	NA
+MJ080874	Antibiotic CJ 12662 	C29H37ClN2O7	560.228929	NA	MeJP	NA	NA
+PJ005426	CLYY 	C27H36N4O7S	560.2305	NA	PeJP	NA	NA
+MJ080875	Apateline; Me ether, 1,2-didehydro 	C35H32N2O5	560.231122	NA	MeJP	NA	NA
+PJ005427	NNQW 	C24H32N8O8	560.2343	NA	PeJP	NA	NA
+PJ005428	GPCER 	C21H36N8O8S	560.2377	NA	PeJP	NA	NA
+MJ080876	Morellin; (E)-Isomer, 29-carboxylic acid 	C33H36O8	560.241018	NA	MeJP	NA	NA
+MJ080877	Morellin; 29-Carboxylic acid 	C33H36O8	560.241018	NA	MeJP	NA	NA
+PJ005429	PQMW 	C26H36N6O6S	560.2417	NA	PeJP	NA	NA
+MJ080878	Chloramphenicol, Hexadecanoyl 	C27H42Cl2N2O6	560.241992	NA	MeJP	NA	NA
+C11726	Chloramphenicol palmitate	C27H42Cl2N2O6	560.242	NA	KEGG	NA	NA
+PJ005430	GVQEE 	C22H36N6O11	560.2442	NA	PeJP	NA	NA
+PJ005431	GPNHH 	C23H32N10O7	560.2456	NA	PeJP	NA	NA
+MJ080879	Vincamajine; O-(3,4,5-Trimethoxybenzoyl) 	C32H36N2O7	560.252251	NA	MeJP	NA	NA
+PJ005432	PCRW 	C25H36N8O5S	560.253	NA	PeJP	NA	NA
+PJ005433	QEER 	C21H36N8O10	560.2555	NA	PeJP	NA	NA
+PJ005434	VQEW 	C26H36N6O8	560.2595	NA	PeJP	NA	NA
+MJ080880	2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide, 2-Ac, 3-(methylpropanoyl) 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080881	Affinoside B 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080882	Affinoside C; 4,5-Didehydro, 12-oxo, 11?-alcohol 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080883	Affinoside F 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080884	Affinoside R 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080885	Anodendroside F; 16,17-Didehydro,5?-form 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080886	Cauferin; 6'-O-?-D-Glucopyranoside 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080887	Scilliglaucogenin; 5-O-?-D-Glucopyranoside 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080888	Scilliglaucosidin; 3-O-?-D-Glucopyranoside 	C30H40O10	560.262147	NA	MeJP	NA	NA
+MJ080889	Xenicin; 8-Deacetyl, 8-acetoacetyl 	C30H40O10	560.262147	NA	MeJP	NA	NA
+PJ005435	GPKEM 	C23H40N6O8S	560.2629	NA	PeJP	NA	NA
+MJ080890	Phycoerythrobilin 	C31H36N4O6	560.263484	NA	MeJP	NA	NA
+PJ005436	TFFF 	C31H36N4O6	560.2635	NA	PeJP	NA	NA
+MJ080891	Pregn-9(11)-ene-3,6,20-triol, 6-O-(6-Deoxy-?-D-glucopyranoside), 3-O-sulfate 	C27H44O10S	560.265518	NA	MeJP	NA	NA
+MJ080892	Pregn-9(11)-ene-3,6,20-triol, 6-O-(6-Deoxy-?-D-glucopyranoside), 4'-O-sulfate 	C27H44O10S	560.265518	NA	MeJP	NA	NA
+MJ080893	Spirostane-1,2,3,4,5-pentol, 4-Sulfate 	C27H44O10S	560.265518	NA	MeJP	NA	NA
+PJ005437	DDRR 	C20H36N10O9	560.2667	NA	PeJP	NA	NA
+PJ005438	AERW 	C25H36N8O7	560.2707	NA	PeJP	NA	NA
+MJ080894	Antibiotic TAN 420; Antibiotic TAN 420C, Quinone 	C29H40N2O9	560.27338	NA	MeJP	NA	NA
+MJ080895	Geldanamycin 	C29H40N2O9	560.27338	NA	MeJP	NA	NA
+C11222	Geldanamycin	C29H40N2O9	560.2734	NA	KEGG	NA	NA
+PJ005439	GPTMR 	C22H40N8O7S	560.2741	NA	PeJP	NA	NA
+PJ005440	GLWW 	C30H36N6O5	560.2747	NA	PeJP	NA	NA
+PJ005441	PKMW 	C27H40N6O5S	560.2781	NA	PeJP	NA	NA
+3277	NA	KREE	560.279	celiac toxic	Inhouse_peptide	NA	peptide
+PJ005442	GVKEE 	C23H40N6O10	560.2806	NA	PeJP	NA	NA
+MJ080896	Difficol; 6-Hydroxy, 16-O-phosphate 	C31H45O7P	560.29029	NA	MeJP	NA	NA
+PJ005443	SPTTR 	C22H40N8O9	560.2918	NA	PeJP	NA	NA
+PJ005444	KEER 	C22H40N8O9	560.2919	NA	PeJP	NA	NA
+PJ005445	VKEW 	C27H40N6O7	560.2959	NA	PeJP	NA	NA
+MJ080897	3,14-Dihydroxy-19-oxobufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-D-glucopyranoside) 	C31H44O9	560.298533	NA	MeJP	NA	NA
+MJ080898	Antibiotic TAN 1446B 	C31H44O9	560.298533	NA	MeJP	NA	NA
+MJ080899	Gomphoside; 3'-Ac 	C31H44O9	560.298533	NA	MeJP	NA	NA
+MJ080900	Gomphoside; 3'-Epimer, 3'-Ac 	C31H44O9	560.298533	NA	MeJP	NA	NA
+MJ080901	Plagiochiline I; 13-(2E,4E-Dodecadienoyloxy), 12-hydroxy, Ac 	C31H44O9	560.298533	NA	MeJP	NA	NA
+MJ080902	Sindurol 	C31H44O9	560.298533	NA	MeJP	NA	NA
+PJ005446	SPVKM 	C24H44N6O7S	560.2992	NA	PeJP	NA	NA
+PJ005447	GGALLM 	C24H44N6O7S	560.2993	NA	PeJP	NA	NA
+MJ080903	Ergost-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate 	C28H48O9S	560.301903	NA	MeJP	NA	NA
+MJ080904	Ergost-22-ene-3,5,6,8,15,28-hexol, 28-Sulfate 	C28H48O9S	560.301903	NA	MeJP	NA	NA
+PJ005448	TERR 	C21H40N10O8	560.3031	NA	PeJP	NA	NA
+PJ005449	SLRW 	C26H40N8O6	560.3071	NA	PeJP	NA	NA
+MJ080905	Macbecin II 	C30H44N2O8	560.309766	NA	MeJP	NA	NA
+PJ005450	AALMR 	C23H44N8O6S	560.3105	NA	PeJP	NA	NA
+MJ080906	Tryptophyllin L 1.2 	C31H40N6O4	560.311103	NA	MeJP	NA	NA
+MJ080907	Betamethasone; 17,21-Dipentanoyl 	C32H45FO7	560.314931	NA	MeJP	NA	NA
+PJ005451	ATLKE 	C24H44N6O9	560.317	NA	PeJP	NA	NA
+PJ005452	VMRR 	C22H44N10O5S	560.3217	NA	PeJP	NA	NA
+PJ005453	ATTLR 	C23H44N8O8	560.3282	NA	PeJP	NA	NA
+PJ005454	GPLKF 	C28H44N6O6	560.3323	NA	PeJP	NA	NA
+C08795	Cucurbitacin C	C32H48O8	560.3349	NA	KEGG	NA	NA
+C08805	Cucurbitacin Q	C32H48O8	560.3349	NA	KEGG	NA	NA
+C09135	Montanin	C32H48O8	560.3349	NA	KEGG	NA	NA
+MJ080908	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-Octanoyl, 18,19-di-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080909	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 25-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080910	2,3-Dihydroxy-12-oleanene-23,28,30-trioic acid, 23,28-Di-Me ester 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080911	3,12-Dihydroxy-25,26,27-trinordammaran-24,20-olide, 3-Malonyl, 12-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080912	3,16,19,20,25-Pentahydroxycucurbita-5,23-diene-11,22-dione, 25-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080913	3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione, 23,24-Dihydro, 25-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080914	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Decanoyl, 13-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080915	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Decanoyl, 12-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080916	Huratoxin; 13',14'-Dinor, 2',3',4',5'-tetrahydro 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080917	Milbemycin ?1; 6S-Hydroxy 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080918	Petuniasterone O 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080919	Spirosta-5,25(27)-diene-1,3-diol, 1-O-?-L-Arabinopyranoside 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MJ080920	Vilasinin; 20,21,22,23-Tetrahydro, 23?-hydroxy, 1-(2-methylpropanoyl), 3-Ac 	C32H48O8	560.334918	NA	MeJP	NA	NA
+MetaCyc03856	23,24-dihydrocucurbitacin B []	C32H48O8	560.334919	NA	metacyc	NA	NA
+PJ005455	GLLKM 	C25H48N6O6S	560.3356	NA	PeJP	NA	NA
+MJ080921	Stigmastane-3,5,6,15,29-pentol, 29-Sulfate 	C29H52O8S	560.338289	NA	MeJP	NA	NA
+MJ080922	Aeruginosamide 	C30H48N4O4S	560.339626	NA	MeJP	NA	NA
+MJ080923	Antibiotic Sch 23831 	C31H48N2O7	560.346151	NA	MeJP	NA	NA
+MJ080924	Deferoxamine 	C25H48N6O8	560.353362	NA	MeJP	NA	NA
+MetaCyc03857	deferoxamine []	C25H48N6O8	560.353363	NA	metacyc	NA	NA
+C06940	Deferoxamine	C25H48N6O8	560.3534	NA	KEGG	NA	NA
+PJ005456	STLLK 	C25H48N6O8	560.3534	NA	PeJP	NA	NA
+MJ080925	2-Dehydroxy-O2-buxafuranamine 	C35H48N2O4	560.361408	NA	MeJP	NA	NA
+MJ080926	Cyclovirobuxeine F 	C35H48N2O4	560.361408	NA	MeJP	NA	NA
+MJ080927	O10-Buxafuranamine; Deoxy 	C35H48N2O4	560.361408	NA	MeJP	NA	NA
+PJ005457	GTKKK 	C24H48N8O7	560.3646	NA	PeJP	NA	NA
+MJ080928	3,3',4,4'-Tetradehydro-?,?-carotene-2,2'-dione 	C40H48O2	560.36543	NA	MeJP	NA	NA
+MJ080929	Isotedanin 	C40H48O2	560.36543	NA	MeJP	NA	NA
+MJ080930	Leprotene; 3,3'-Dihydroxy 	C40H48O2	560.36543	NA	MeJP	NA	NA
+MJ080931	Tedanin 	C40H48O2	560.36543	NA	MeJP	NA	NA
+MJ080932	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-(3R-Hydroxybutanoyl), 12-Ac 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080933	17,20-Epoxy-16,22,25-trihydroxy-23-methylergostan-3-one, 22,25-Di-Ac 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080934	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2,3:20,22-Di-O-isopropylidene 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080935	23,25-Cyclo-12,16,25-trihydroxy-20,24-dimethyl-24-scalaranone, 16-(2-Hydroxybutanoyl), 12-Ac 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080936	3,6-Dihydroxycholesta-9(11),20(22)-dien-23-one, 6-O-(6-Deoxy-?-D-glucopyranoside) 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080937	Cholest-5-ene-2,3,16,18-tetrol, 2,16,18-Tri-Ac 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080938	Cholest-5-ene-3,7,15,18-tetrol, 7,15,18-Tri-Ac 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080939	Spirost-5-en-3-ol, 3-O-?-L-Rhamnopyranoside 	C33H52O7	560.371304	NA	MeJP	NA	NA
+MJ080940	3,12-Dihydroxy-28-ursanoic acid, 28?12 Lactone, 3-benzoyl 	C37H52O4	560.38656	NA	MeJP	NA	NA
+MJ080941	3,16-Dihydroxy-27-friedelanoic acid, 27?16 Lactone, 3-benzoyl 	C37H52O4	560.38656	NA	MeJP	NA	NA
+MJ080942	3,29-Dihydroxy-8-multifloren-7-one; 3?-form, 3-Benzoyl 	C37H52O4	560.38656	NA	MeJP	NA	NA
+MJ080943	Strempeliopidine 	C38H48N4	560.387897	NA	MeJP	NA	NA
+MJ080944	Cyclovirobuxeine I; N3,N3,N20-Tri-Me, O-(4-hydroxycinnamoyl) 	C36H52N2O3	560.397793	NA	MeJP	NA	NA
+MJ080945	Tedaniaxanthin; Me ether 	C41H52O	560.401816	NA	MeJP	NA	NA
+MJ080946	2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, 24-Butyl ether 	C34H56O6	560.407689	NA	MeJP	NA	NA
+MJ080947	20,24-Epoxydammarane-3,12,25-triol, 3,12-Di-Ac 	C34H56O6	560.407689	NA	MeJP	NA	NA
+MJ080948	20,24-Epoxydammarane-3,12,25-triol, 3,25-Di-Ac 	C34H56O6	560.407689	NA	MeJP	NA	NA
+MJ080949	Ergosta-5,24(28)-diene-3,16-diol, 3-O-?-L-Fucopyranoside 	C34H56O6	560.407689	NA	MeJP	NA	NA
+MJ080950	Stigmast-5-en-3-ol, O-?-D-Xyluronofuranoside 	C34H56O6	560.407689	NA	MeJP	NA	NA
+MJ080951	Stigmast-5-en-3-ol, O-?-D-Riburonofuranoside 	C34H56O6	560.407689	NA	MeJP	NA	NA
+MJ080952	Stigmast-5-en-3-ol, O-?-D-Xyluronofuranoside 	C34H56O6	560.407689	NA	MeJP	NA	NA
+C05804	2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone	C38H56O3	560.4229	NA	KEGG	NA	NA
+HMDB06819	2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone	C38H56O3	560.42297	http://www.hmdb.ca/metabolites/HMDB06819	HMDB	NA	NA
+HMDB06819	2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone	C38H56O3	560.42297	HMDB06819	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06819	2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone	C38H56O3	560.422974	NA	HMDB2010	NA	NA
+MJ080953	Corepoxylone 	C35H60O5	560.444075	NA	MeJP	NA	NA
+MJ080954	Stigmast-5-en-3-ol, O-(2-Deoxy-?-D-ribo-hexopyranoside) 	C35H60O5	560.444075	NA	MeJP	NA	NA
+MJ080955	Stigmast-5-en-3-ol, O-?-L-Rhamnopyranoside 	C35H60O5	560.444075	NA	MeJP	NA	NA
+HMDB07019	DG(14:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C35H60O5	560.444092	NA	HMDB2010	NA	NA
+HMDB07046	DG(14:1(9Z)/18:3(6Z,9Z,12Z)/0:0)	C35H60O5	560.444092	NA	HMDB2010	NA	NA
+HMDB07047	DG(14:1(9Z)/18:3(9Z,12Z,15Z)/0:0)	C35H60O5	560.444092	NA	HMDB2010	NA	NA
+HMDB07270	DG(18:3(6Z,9Z,12Z)/14:1(9Z)/0:0)	C35H60O5	560.444092	NA	HMDB2010	NA	NA
+HMDB07299	DG(18:3(9Z,12Z,15Z)/14:1(9Z)/0:0)	C35H60O5	560.444092	NA	HMDB2010	NA	NA
+HMDB07327	DG(18:4(6Z,9Z,12Z,15Z)/14:0/0:0)	C35H60O5	560.444092	NA	HMDB2010	NA	NA
+MJ080956	12-Methyl-29-(2,3,4,5-tetrahydroxypentyl)hopane 	C36H64O4	560.48046	NA	MeJP	NA	NA
+MJ080957	16,17,19-Kauranetriol, 19-Hexadecanoyl 	C36H64O4	560.48046	NA	MeJP	NA	NA
+MJ080958	2-Methyl-32,33,34,35-bacteriohopanetetrol 	C36H64O4	560.48046	NA	MeJP	NA	NA
+MJ080959	3-(3,4-Dihydroxyphenyl)-1-propanol; 3'-Me ether, 1-O-hexacosanoyl 	C36H64O4	560.48046	NA	MeJP	NA	NA
+MJ080960	3-Methyl-29-(2,3,4,5-tetrahydroxypentyl)hopane 	C36H64O4	560.48046	NA	MeJP	NA	NA
+MJ080961	7,7',8,8',11,11',12,12'-Octahydrolycopene; 1,2-Epoxide 	C40H64O	560.495716	NA	MeJP	NA	NA
+3982	fragment 222-230 of bovine lactoferrin	ADRDQYELL	560.7614	MH2+	Inhouse_peptide	NA	peptide
+7344	celiac sprue gluten epitope found in glutenin	PIQQQPHQF	560.773	MH2+	Inhouse_peptide	NA	peptide
+MJ080962	ADPribose 	C15H25N5O14P2	561.087323	NA	MeJP	NA	NA
+PJ005458	CCCCM 	C17H31N5O6S5	561.0878	NA	PeJP	NA	NA
+C11461	dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose	C17H29N3O14P2	561.1125	NA	KEGG	NA	NA
+FL7ARXGL0003	Malvidin 3-glucoside-pyruvate	C26H25O14	561.12443	388089-38-1	knapsack	NA	NA
+PJ005459	ACCCY 	C21H31N5O7S3	561.1386	NA	PeJP	NA	NA
+PJ005460	PCCCH 	C20H31N7O6S3	561.1498	NA	PeJP	NA	NA
+PJ005461	SSCCY 	C21H31N5O9S2	561.1563	NA	PeJP	NA	NA
+MJ080963	Lamellarin H; 5?,7-Dihydroxy, 5,6-dihydro, 7,8,9,12,20-penta-Me ether 	C30H27NO10	561.163496	NA	MeJP	NA	NA
+MJ080964	Lamellarin H; 7-Methoxy, 5?-hydroxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether 	C30H27NO10	561.163496	NA	MeJP	NA	NA
+MJ080965	2-Cyclopropyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]oxy]-4-quinolinecarboxylic acid; (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl ester 	C31H23N5O6	561.164833	NA	MeJP	NA	NA
+PJ005462	GCDMH 	C20H31N7O8S2	561.1676	NA	PeJP	NA	NA
+PJ005463	SSCEH 	C20H31N7O10S	561.1853	NA	PeJP	NA	NA
+PJ005464	GGGGPCD 	C20H31N7O10S	561.1854	NA	PeJP	NA	NA
+PJ005465	CNYY 	C25H31N5O8S	561.1893	NA	PeJP	NA	NA
+PJ005466	GGCYY 	C25H31N5O8S	561.1894	NA	PeJP	NA	NA
+MJ080966	5-Ethyl 1-[1-(phenylmethyl)-4-piperidinyl] 3,6-dihydro-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,5(2H)-pyrimidinedicarboxylate 	C28H30F3N3O4S	561.190911	NA	MeJP	NA	NA
+PJ005467	SPDDE 	C21H31N5O13	561.1919	NA	PeJP	NA	NA
+PJ005468	PPCDM 	C22H35N5O8S2	561.1927	NA	PeJP	NA	NA
+PJ005469	GNNEE 	C20H31N7O12	561.2031	NA	PeJP	NA	NA
+PJ005470	GSMMH 	C21H35N7O7S2	561.204	NA	PeJP	NA	NA
+PJ005471	GPEEM 	C22H35N5O10S	561.2105	NA	PeJP	NA	NA
+PJ005472	SNNNN 	C19H31N9O11	561.2143	NA	PeJP	NA	NA
+PJ005473	GGGGGGGGS 	C19H31N9O11	561.2144	NA	PeJP	NA	NA
+PJ005474	NNEW 	C24H31N7O9	561.2183	NA	PeJP	NA	NA
+PJ005475	GGNEW 	C24H31N7O9	561.2184	NA	PeJP	NA	NA
+MJ080967	?-Lumicolchicine; 5,9-Diepimer, N-Me, O3-de-Me, O3-?-D-glucopyranoside 	C28H35NO11	561.22101	NA	MeJP	NA	NA
+PJ005476	SSTMH 	C21H35N7O9S	561.2217	NA	PeJP	NA	NA
+PJ005477	PEMW 	C26H35N5O7S	561.2257	NA	PeJP	NA	NA
+PJ005478	SPTEE 	C22H35N5O12	561.2282	NA	PeJP	NA	NA
+PJ005479	GVEEE 	C22H35N5O12	561.2283	NA	PeJP	NA	NA
+PJ005480	SPPMM 	C23H39N5O7S2	561.2291	NA	PeJP	NA	NA
+PJ005481	GPDHH 	C23H31N9O8	561.2296	NA	PeJP	NA	NA
+PJ005482	GNWW 	C28H31N7O6	561.2336	NA	PeJP	NA	NA
+PJ005483	QMHF 	C25H35N7O6S	561.237	NA	PeJP	NA	NA
+PJ005484	EEER 	C21H35N7O11	561.2395	NA	PeJP	NA	NA
+MJ080968	Astin J; 4'S,4''''S-Dihydroxy, Me ester 	C26H35N5O9	561.243477	NA	MeJP	NA	NA
+PJ005485	VEEW 	C26H35N5O9	561.2435	NA	PeJP	NA	NA
+MJ080969	Clathrynamide A; N-(4-Hydroxy-1-methylpentyl) 	C30H44BrNO4	561.245371	NA	MeJP	NA	NA
+PJ005486	SPVEM 	C23H39N5O9S	561.2469	NA	PeJP	NA	NA
+MJ080970	Anthraserpine; O17-De-Me 	C31H35N3O7	561.2475	NA	MeJP	NA	NA
+PJ005487	CHFR 	C24H35N9O5S	561.2482	NA	PeJP	NA	NA
+PJ005488	GSNER 	C20H35N9O10	561.2507	NA	PeJP	NA	NA
+PJ005489	NDKW 	C25H35N7O8	561.2547	NA	PeJP	NA	NA
+PJ005490	GGGGAPF 	C25H35N7O8	561.2548	NA	PeJP	NA	NA
+MJ080971	Cephalezomine A 	C29H39NO10	561.257396	NA	MeJP	NA	NA
+MJ080972	Harringtonine; Homologue (n = 3), 1''S-hydroxy 	C29H39NO10	561.257396	NA	MeJP	NA	NA
+MJ080973	Nargenicin B1 	C29H39NO10	561.257396	NA	MeJP	NA	NA
+PJ005491	GVQQM 	C22H39N7O8S	561.2581	NA	PeJP	NA	NA
+PJ005492	PPYW 	C30H35N5O6	561.2588	NA	PeJP	NA	NA
+PJ005493	APPMF 	C27H39N5O6S	561.2621	NA	PeJP	NA	NA
+PJ005494	ATLEE 	C23H39N5O11	561.2646	NA	PeJP	NA	NA
+PJ005495	APLMM 	C24H43N5O6S2	561.2655	NA	PeJP	NA	NA
+PJ005496	SNRW 	C24H35N9O7	561.266	NA	PeJP	NA	NA
+PJ005497	QQMR 	C21H39N9O7S	561.2693	NA	PeJP	NA	NA
+PJ005498	GGAAMR 	C21H39N9O7S	561.2694	NA	PeJP	NA	NA
+PJ005499	KMHF 	C26H39N7O5S	561.2734	NA	PeJP	NA	NA
+PJ005500	GTQKE 	C22H39N7O10	561.2759	NA	PeJP	NA	NA
+PJ005501	SPPVY 	C27H39N5O8	561.2799	NA	PeJP	NA	NA
+PJ005502	CQRR 	C20H39N11O6S	561.2806	NA	PeJP	NA	NA
+PJ005503	PTTLM 	C24H43N5O8S	561.2832	NA	PeJP	NA	NA
+PJ005504	GLLEM 	C24H43N5O8S	561.2833	NA	PeJP	NA	NA
+MJ080974	2-Butyl-6-(hexahydro-2-methylpyrrolo[1,2-b]isoxazol-2-yl)-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-4(3H)-quinazolinone 	C33H35N7O2	561.285223	NA	MeJP	NA	NA
+PJ005505	GSDKR 	C21H39N9O9	561.2871	NA	PeJP	NA	NA
+MJ080975	Dapitant 	C37H39NO4	561.287908	NA	MeJP	NA	NA
+PJ005506	TQKW 	C26H39N7O7	561.2911	NA	PeJP	NA	NA
+MJ080976	Altamycin A 	C30H43NO9	561.293781	NA	MeJP	NA	NA
+PJ005507	GVQKM 	C23H43N7O7S	561.2945	NA	PeJP	NA	NA
+C09162	Ergocornine	C31H39N5O5	561.2951	NA	KEGG	NA	NA
+PJ005508	PLFW 	C31H39N5O5	561.2951	NA	PeJP	NA	NA
+MJ080977	2,6-Diethyl-1,4-dihydro-N-[3-(4-hydroxy-4-phenyl-1-piperidinyl)propyl]-4-(4-nitrophenyl)-3,5-pyridinedicarboxamide 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080978	?-Ergoptine 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080979	Avellanin A 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080980	Ergocornine 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080981	Ergohexine 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080982	Ergoptine 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080983	Mauritine A; N-De-Me 	C31H39N5O5	561.295119	NA	MeJP	NA	NA
+MJ080984	Carolisterol A; 6-Epimer, 5-deoxy 	C27H47NO9S	561.297152	NA	MeJP	NA	NA
+PJ005509	GSSRR 	C20H39N11O8	561.2983	NA	PeJP	NA	NA
+PJ005510	LLMW 	C28H43N5O5S	561.2985	NA	PeJP	NA	NA
+PJ005511	STLLE 	C24H43N5O10	561.301	NA	PeJP	NA	NA
+PJ005512	GVLHH 	C25H39N9O6	561.3024	NA	PeJP	NA	NA
+MJ080985	Detoxin D1; O-De-Ac, O-propanoyl 	C29H43N3O8	561.305015	NA	MeJP	NA	NA
+PJ005513	QKMR 	C22H43N9O6S	561.3057	NA	PeJP	NA	NA
+EUR747	Lyso PC 18:4 [M+FA-H]-	C26H46NO7P	561.306072	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR747	Lyso PC 18:4 [M+FA-H]-	C26H46NO7P	561.306072	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR747	Lyso PC 18:4 [M+FA-H]-	C26H46NO7P	561.306072	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR747	Lyso PC 18:4 [M+FA-H]-	C26H46NO7P	561.306072	masses lipides attendues	Inhousejuil11	NA	NA
+EUR883	Lyso PE 20:4 [M-H+acetate]-	C25H44NO7P	561.306642	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR883	Lyso PE 20:4 [M-H+acetate]-	C25H44NO7P	561.306642	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR883	Lyso PE 20:4 [M-H+acetate]-	C25H44NO7P	561.306642	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR883	Lyso PE 20:4 [M-H+acetate]-	C25H44NO7P	561.306642	masses lipides attendues	Inhousejuil11	NA	NA
+2719	erythromycin inhibitor	MVLTV	561.3074	NA	Inhouse_peptide	NA	peptide
+PJ005514	GTKKE 	C23H43N7O9	561.3122	NA	PeJP	NA	NA
+PJ005515	ASKKE 	C23H43N7O9	561.3123	NA	PeJP	NA	NA
+PJ005516	LHHR 	C24H39N11O5	561.3136	NA	PeJP	NA	NA
+3525	ACE inhibitor	VHIPP	561.314	ACE inhibitor	Inhouse_peptide	NA	peptide
+3526	ACE inhibitor	VHLPP	561.314	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ005517	GPLLY 	C28H43N5O7	561.3163	NA	PeJP	NA	NA
+PJ005518	CKRR 	C21H43N11O5S	561.317	NA	PeJP	NA	NA
+PJ005519	SVLLM 	C25H47N5O7S	561.3196	NA	PeJP	NA	NA
+PJ005520	GTTKR 	C22H43N9O8	561.3235	NA	PeJP	NA	NA
+PJ005521	TKKW 	C27H43N7O6	561.3275	NA	PeJP	NA	NA
+MJ080986	Piericidin; Piericidin A1, 4-O-(6-Deoxy-?-D-talopyranoside) 	C31H47NO8	561.330167	NA	MeJP	NA	NA
+MJ080987	Piericidin; Piericidin A1, 4-O-Rhamnoside 	C31H47NO8	561.330167	NA	MeJP	NA	NA
+PJ005522	GVKKM 	C24H47N7O6S	561.3309	NA	PeJP	NA	NA
+PJ005523	KKMR 	C23H47N9O5S	561.3421	NA	PeJP	NA	NA
+PJ005524	SSLKK 	C24H47N7O8	561.3486	NA	PeJP	NA	NA
+C11296	N-Acetyl-leu-leu-leu-tyr-amide	C29H47N5O6	561.3526	NA	KEGG	NA	NA
+MJ080988	Stacopin P1; 4-Hydroxy 	C29H47N5O6	561.352634	NA	MeJP	NA	NA
+PJ005525	GLLLF 	C29H47N5O6	561.3527	NA	PeJP	NA	NA
+EUR781	Lyso PC 22:2 [M-H-CH3]-	C30H58NO7P	561.379442	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR781	Lyso PC 22:2 [M-H-CH3]-	C30H58NO7P	561.379442	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR781	Lyso PC 22:2 [M-H-CH3]-	C30H58NO7P	561.379442	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR781	Lyso PC 22:2 [M-H-CH3]-	C30H58NO7P	561.379442	masses lipides attendues	Inhousejuil11	NA	NA
+MJ080989	Edpetilidinine; 3-O-?-D-Xylopyranoside 	C33H55NO6	561.402938	NA	MeJP	NA	NA
+MJ080990	Verazine; 22S,N-Dihydro, 3-O-?-D-glucopyranoside 	C33H55NO6	561.402938	NA	MeJP	NA	NA
+HMDB10699	CerP(d18:1/12:0)	C30H60NO6P	561.415833	NA	HMDB2010	NA	NA
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR538	12 :0 SM F5	NA	561.417125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR538	12 :0 SM F5	NA	561.417125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR538	12 :0 SM F5	NA	561.417125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR538	12 :0 SM F5	NA	561.417125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR538	12 :0 SM F5	F5	561.417125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ080991	Pyrinodemin B 	C37H59N3O	561.465813	NA	MeJP	NA	NA
+MJ080992	35-Amino-30,31,32,33,34-bacteriohopanepentol, 30-Deoxy 	C35H63NO4	561.475709	NA	MeJP	NA	NA
+MJ080993	2-Amino-4-octadecene-1,3-diol, N-(9Z,12Z-Octadecadienoyl) 	C36H67NO3	561.512095	NA	MeJP	NA	NA
+7374	celiac sprue gluten epitope found in hordein	PWPQQPFPQ	561.7645	MH2+	Inhouse_peptide	NA	peptide
+7394	celiac sprue gluten epitope found in hordein*	PQPQQPFPW	561.7645	MH2+	Inhouse_peptide	NA	peptide
+2916	neuropeptide from eyestalk of Macrobrachium rosenb	TNRNFLRFG	561.7879	MH2+	Inhouse_peptide	NA	peptide
+MJ080994	Cyplatate 	C12H22N3O8PPt	562.079225	NA	MeJP	NA	NA
+C12481	dTDP-5-dimethyl-L-lyxose	C17H28N2O15P2	562.0965	NA	KEGG	NA	NA
+C12482	2-Pyrroline-2-carboxyl-[pcp]	C5H6NOSR	562.0965	NA	KEGG	NA	NA
+C12483	Pyrrole-2-carboxyl-[pcp]	C5H4NOSR	562.0965	NA	KEGG	NA	NA
+C12484	5-Methyl-pyrrole-2-carboxyl-[pcp]	C6H6NOSR	562.0965	NA	KEGG	NA	NA
+C12485	Transferred to D01088	C6H6NOSR	562.0965	NA	KEGG	NA	NA
+MJ080995	Cryptoclauxin 	C29H22O12	562.111126	NA	MeJP	NA	NA
+MJ080996	3,4',5,7,8-Pentahydroxyflavone; 8-O-[2-Methylbutanoyl-(?2)-?-D-glucuronopyranoside] 	C26H26O14	562.132255	NA	MeJP	NA	NA
+MJ080997	Trilobatin A 	C26H26O14	562.132255	NA	MeJP	NA	NA
+MJ080998	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,7-Di-O-oxalyl-?-D-glucopyranoside 	C19H31O19(+)	562.138128	NA	MeJP	NA	NA
+C10228	Gambiriin C	C30H26O11	562.1475	NA	KEGG	NA	NA
+C17775	Gambiriin B1	C30H26O11	562.1475	NA	KEGG	NA	NA
+C17776	Gambiriin B2	C30H26O11	562.1475	NA	KEGG	NA	NA
+C17777	Gambiriin B3	C30H26O11	562.1475	NA	KEGG	NA	NA
+MJ080999	10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081000	3',4',7-Trihydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081001	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081002	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5',7-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081003	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081004	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',7,8-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081005	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4,4',7-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081006	3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081007	3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081008	3,4',7,8-Tetrahydroxyflavan(4?5)-3,4,4',7,8-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081009	3,4',7,8-Tetrahydroxyflavan(4?6)-3,4,4',7,8-pentahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081010	3,4',7,8-Tetrahydroxyflavan(4?O?4)-3,4',7,8-tetrahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081011	4,4',7,8-Tetrahydroxyflavan(3?O?4)-3,4',7,8-tetrahydroxyflavan 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081012	4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3,7-diol, 5-Hydroxy 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081013	4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081014	8-(2,4-Dihydroxyphenyl)-2,10-bis(3,4-dihydroxyphenyl)-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081015	Gambiriin B1 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081016	Gambiriin B3 	C30H26O11	562.147511	NA	MeJP	NA	NA
+MJ081017	Physalin B; 5,6-Dihydro, 5?-chloro, 6?-hydroxy 	C28H31ClO10	562.160574	NA	MeJP	NA	NA
+MJ081018	Albanol A 	C34H26O8	562.162767	NA	MeJP	NA	NA
+MJ081019	Kuwanol B 	C34H26O8	562.162767	NA	MeJP	NA	NA
+MJ081020	Torreonin 	C34H26O8	562.162767	NA	MeJP	NA	NA
+C08738	Albanol A	C34H26O8	562.1628	NA	KEGG	NA	NA
+PJ005526	SCCNH 	C19H30N8O8S2	562.1628	NA	PeJP	NA	NA
+JH244	Oleuropein [M+Na]+	NA	562.1642	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH244	Oleuropein [M+Na]+	NA	562.1642	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH244	Oleuropein [M+Na]+	NA	562.1642	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH244	Oleuropein [M+Na]+	NA	562.1642	14.15	Inhousejuil11	NA	NA
+C15581	Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	C27H30O13	562.1686	NA	KEGG	NA	NA
+FL1A98GS0001	Dalmaisione D;2'-Hydroxyaurone 2'-O-glucosyl-(1'''->6'')-glucoside;2'-Hydroxyaurone 2'-gentiobioside	C27H30O13	562.16864	418810-16-9	knapsack	NA	NA
+FL3F1ACS0002	Sophoraflavone A	C27H30O13	562.16864	105594-08-9	knapsack	NA	NA
+FL3F1AGS0003	7,4'-Dihydroxyflavone 7-rutinoside	C27H30O13	562.16864	27576-43-8	knapsack	NA	NA
+FL3FA9GS0005	Chrysin 7-rutinoside	C27H30O13	562.16864	35775-52-1	knapsack	NA	NA
+FL3FAACS0058	6,8-Di-C-rhamnosylapigenin	C27H30O13	562.16864	34524-53-3	knapsack	NA	NA
+FL3FAADS0039	Rhamnellaflavoside A;6-C-beta-D-Oliopyranosylapigenin 4'-O-beta-D-glucopyranoside	C27H30O13	562.16864	681287-08-1	knapsack	NA	NA
+FL3FAADS0040	Rhamnellaflavoside B;6-C-beta-D-Boivinopyranosylapigenin 4'-O-beta-D-glucopyranoside	C27H30O13	562.16864	681287-09-2	knapsack	NA	NA
+FL3FAADS0041	Rhamnellaflavoside C;6-C-beta-D-Epioliosylapigenin 4'-O-beta-D-glucopyranoside	C27H30O13	562.16864	681287-10-5	knapsack	NA	NA
+FL3FCACS0014	Molludistin 2''-O-rhamnoside	C27H30O13	562.16864	66274-23-5	knapsack	NA	NA
+FL3FCBCS0003	5-Hydroxy-7,4'-dimethoxyflavone 6,8-di-C-arabinopyranoside	C27H30O13	562.16864	77390-43-3	knapsack	NA	NA
+FL3FECGS0040	6-Methoxyluteolin 7-[6''-(2-methylbutyryl) glucoside];2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C27H30O13	562.16864	144599-15-5	knapsack	NA	NA
+FLIA1AGS0012	Formononetin 7-O-apiosyl-(1->2)-glucoside;Glycyroside	C27H30O13	562.16864	125310-04-5	knapsack	NA	NA
+FLIA1AGS0013	Formononetin 7-O-xylosyl-(1->6)-glucoside;Kushenol O	C27H30O13	562.16864	102390-91-0	knapsack	NA	NA
+MJ081021	1,3-Dihydroxy-2-methylanthraquinone; 1-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081022	1,5-Dihydroxy-2-methylanthraquinone; 1-O-Rutinoside 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081023	3,5,7-Trihydroxyflavone; 3,7-Di-O-?-L-rhamnopyranoside 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081024	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(??)-?-L-rhamnopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081025	4',7-Dihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081026	4',7-Dihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081027	4',7-Dihydroxyisoflavone; 7-O-(Rhamnosylglucoside) 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081028	4'-Demethylpodophyllotoxin; 7-O-?-D-Glucopyranoside 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081029	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinopyranosyl-(1??)-?-L-rhamnopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081030	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081031	5,7-Dihydroxyflavone; 7-O-Rutinoside 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081032	6,8-Diarabinopyranosyl-4',5,7-trihydroxyflavone; 4',7-Di-Me ether 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081033	7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081034	7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081035	Asperuloside; 2'-O-[3-(4-Hydroxyphenyl)propanoyl] 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081036	Mollupentin; 7-Me ether, 2''-O-?-L-rhamnopyranoside 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081037	Salicortin; 6'-O-(1-Hydroxy-6-oxo-2-cyclohexene-1-carbonyl) 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081038	Swertiamarin; 4'-(4-Hydroxycinnamoyl)(E-), 2'-Ac 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081039	Swertiamarin; 4'-(4-Hydroxycinnamoyl)(Z-), 2'-Ac 	C27H30O13	562.168641	NA	MeJP	NA	NA
+MJ081040	?-Peltatin; 6-O-?-D-Glucopyranoside 	C27H30O13	562.168641	NA	MeJP	NA	NA
+PJ005527	PCNDD 	C20H30N6O11S	562.1693	NA	PeJP	NA	NA
+PJ005528	GGPCDD 	C20H30N6O11S	562.1694	NA	PeJP	NA	NA
+MJ081041	Ecamsule 	C28H34O8S2	562.169509	NA	MeJP	NA	NA
+PJ005529	CDYY 	C25H30N4O9S	562.1734	NA	PeJP	NA	NA
+MJ081042	Artonin Q; ?1'-Isomer, 3'-hydroperoxy 	C31H30O10	562.183897	NA	MeJP	NA	NA
+MJ081043	Schizantherin P; 7-Epimer, 7-benzoyl, 7'-Ac 	C31H30O10	562.183897	NA	MeJP	NA	NA
+PJ005530	GNDEE 	C20H30N6O13	562.1871	NA	PeJP	NA	NA
+PJ005531	GSPPCC 	C21H34N6O8S2	562.188	NA	PeJP	NA	NA
+MJ081044	Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl)(E-) 	C24H34O15	562.18977	NA	MeJP	NA	NA
+MJ081045	Sucrose; 6-O-(3,4,5-Trimethoxy-E-cinnamoyl) 	C24H34O15	562.18977	NA	MeJP	NA	NA
+PJ005532	CMFY 	C26H34N4O6S2	562.192	NA	PeJP	NA	NA
+PJ005533	SNNND 	C19H30N8O12	562.1983	NA	PeJP	NA	NA
+PJ005534	GGGGSND 	C19H30N8O12	562.1984	NA	PeJP	NA	NA
+PJ005535	NDEW 	C24H30N6O10	562.2024	NA	PeJP	NA	NA
+FL5FABGI0029	Caohuoside D;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H34O12	562.20502	161504-79-6	knapsack	NA	NA
+MJ081046	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), 9-tigloyl, Me ester 	C28H34O12	562.205026	NA	MeJP	NA	NA
+MJ081047	3',4',5,7-Tetrahydroxy-8-prenylisoflavone; 2'',3''-Dihydro, 3''-hydroxy, 3',4'-di-Me ether, 7-O-?-D-glucopyranoside 	C28H34O12	562.205026	NA	MeJP	NA	NA
+MJ081048	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3'',4'-Di-Me ether, 7-O-?-D-glucopyranoside 	C28H34O12	562.205026	NA	MeJP	NA	NA
+MJ081049	Dehydrobruceolide; 15-(3-Hydroxy-2-isopropylidenebutanoyl) 	C28H34O12	562.205026	NA	MeJP	NA	NA
+PJ005536	SPNDM 	C21H34N6O10S	562.2057	NA	PeJP	NA	NA
+MJ081050	Saframycin A 	C29H30N4O8	562.206363	NA	MeJP	NA	NA
+PJ005537	SMYY 	C26H34N4O8S	562.2097	NA	PeJP	NA	NA
+MJ081051	4,10-Dichloro-7(14)-bisabolene-1,2,3,8,11-pentol, 1,8-Diangeloyl, 2-Ac 	C27H40Cl2O8	562.210023	NA	MeJP	NA	NA
+MJ081052	Cocsupendine 	C34H30N2O6	562.210386	NA	MeJP	NA	NA
+MJ081053	Kohatine; 1',2'-Didehydro 	C34H30N2O6	562.210386	NA	MeJP	NA	NA
+MJ081054	Pangkoramine; 1',2',3',4'-Tetradehydro 	C34H30N2O6	562.210386	NA	MeJP	NA	NA
+MJ081055	Thiamine disulfide 	C24H34N8O4S2	562.214442	NA	MeJP	NA	NA
+PJ005538	GNNQM 	C20H34N8O9S	562.217	NA	PeJP	NA	NA
+PJ005539	GDWW 	C28H30N6O7	562.2176	NA	PeJP	NA	NA
+MJ081056	Antibiotic ES 242-4; 4'-Deoxy 	C32H34O9	562.220282	NA	MeJP	NA	NA
+MJ081057	Antibiotic ES 242-7 	C32H34O9	562.220282	NA	MeJP	NA	NA
+MJ081058	Antibiotic ES 242-8 	C32H34O9	562.220282	NA	MeJP	NA	NA
+MJ081059	Toddalosin 	C32H34O9	562.220282	NA	MeJP	NA	NA
+PJ005540	GPTCW 	C25H34N6O7S	562.221	NA	PeJP	NA	NA
+PJ005541	GTQEE 	C21H34N6O12	562.2235	NA	PeJP	NA	NA
+PJ005542	GPQMM 	C22H38N6O7S2	562.2244	NA	PeJP	NA	NA
+PJ005543	CFFF 	C30H34N4O5S	562.225	NA	PeJP	NA	NA
+MJ081060	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',10-di-Ac 	C25H38O14	562.226155	NA	MeJP	NA	NA
+MJ081061	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',7-di-Ac 	C25H38O14	562.226155	NA	MeJP	NA	NA
+MJ081062	Suspensolide A 	C25H38O14	562.226155	NA	MeJP	NA	NA
+MJ081063	24-Norcholesta-5,22-diene-2,3,21-triol, 3,21-Disulfate 	C26H42O9S2	562.227024	NA	MeJP	NA	NA
+PJ005544	GCNNR 	C19H34N10O8S	562.2282	NA	PeJP	NA	NA
+MJ081064	Minovincinine, 11-Methoxy, O-(3-methoxy-4,5-methylenedioxybenzoyl) 	C31H34N2O8	562.231516	NA	MeJP	NA	NA
+MJ081065	Picraline; (Z)-Isomer, O-de-Ac, O-(3,4,5-trimethoxybenzoyl) 	C31H34N2O8	562.231516	NA	MeJP	NA	NA
+MJ081066	Picraline; O-De-Ac, O-(3,4,5-trimethoxybenzoyl) 	C31H34N2O8	562.231516	NA	MeJP	NA	NA
+MJ081067	Polycephalin C; 1-N-De-Me 	C31H34N2O8	562.231516	NA	MeJP	NA	NA
+PJ005545	GSDER 	C20H34N8O11	562.2347	NA	PeJP	NA	NA
+C15659	TMC 126	C28H38N2O8S	562.2349	NA	KEGG	NA	NA
+MJ081068	Bulbocodine 	C36H34O6	562.235538	NA	MeJP	NA	NA
+MJ081069	Magnolignan H 	C36H34O6	562.235538	NA	MeJP	NA	NA
+MJ081070	Shanciguol; 5'-(4-Hydroxybenzyl), 3-Me ether 	C36H34O6	562.235538	NA	MeJP	NA	NA
+PJ005546	GPCMR 	C21H38N8O6S2	562.2356	NA	PeJP	NA	NA
+3118	adrenocoritcotropin hormone fr,:4-10	YMEHFRWG	562.2362	MH2+	Inhouse_peptide	NA	peptide
+PJ005547	TQEW 	C25H34N6O9	562.2387	NA	PeJP	NA	NA
+PJ005548	GATEW 	C25H34N6O9	562.2388	NA	PeJP	NA	NA
+MJ081071	Otilonium(1+); Bromide 	C29H43BrN2O4	562.24062	NA	MeJP	NA	NA
+C08865	Eriocarpin	C29H38O11	562.2414	NA	KEGG	NA	NA
+MJ081072	Baccharinol 	C29H38O11	562.241412	NA	MeJP	NA	NA
+MJ081073	Fumigatonin 	C29H38O11	562.241412	NA	MeJP	NA	NA
+PJ005549	GVQEM 	C22H38N6O9S	562.2421	NA	PeJP	NA	NA
+PJ005550	AFYY 	C30H34N4O7	562.2428	NA	PeJP	NA	NA
+MJ081074	Angchibangkine 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081075	Apateline; Me ether 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081076	Apateline; N-Me 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081077	Cocsoline, Me ether 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081078	Cocsoline, N-Me 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081079	Cocsoline, Me ether 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081080	Tiliacorine, N-De-Me 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081081	Tiliacorinine; N2'-De-Me 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081082	Tiliacorinine; N2-De-Me 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081083	Tiliarine 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081084	Tricordatine; O12-Me 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+MJ081085	Trilobine 	C35H34N2O5	562.246772	NA	MeJP	NA	NA
+C09669	Trilobine	C35H34N2O5	562.2468	NA	KEGG	NA	NA
+PJ005551	SDRW 	C24H34N8O8	562.25	NA	PeJP	NA	NA
+PJ005552	QEMR 	C21H38N8O8S	562.2534	NA	PeJP	NA	NA
+PJ005553	ATWW 	C29H34N6O6	562.254	NA	PeJP	NA	NA
+MJ081086	1,2,9-Trihydroxydihydro-?-agarofuran, 9-(2,3-Epoxycinnamoyl), 2-benzoyl, 1-Ac 	C33H38O8	562.256668	NA	MeJP	NA	NA
+MJ081087	Gaudichaudione A; ?13-Isomer, 11-hydroxy 	C33H38O8	562.256668	NA	MeJP	NA	NA
+MJ081088	Gaudichaudione A; ?18-Isomer, 16-hydroxy 	C33H38O8	562.256668	NA	MeJP	NA	NA
+MJ081089	Gaudichaudione D 	C33H38O8	562.256668	NA	MeJP	NA	NA
+MJ081090	Gaudichaudione G 	C33H38O8	562.256668	NA	MeJP	NA	NA
+MJ081091	Shizukaol E 	C33H38O8	562.256668	NA	MeJP	NA	NA
+MJ081092	?-Guttiferin 	C33H38O8	562.256668	NA	MeJP	NA	NA
+PJ005554	VQMW 	C26H38N6O6S	562.2574	NA	PeJP	NA	NA
+HMDB00241	Protoporphyrin IX	C34H34N4O4	562.257996	NA	HMDB2010	NA	NA
+HMDB00241	Protoporphyrin IX	C34H34N4O4	562.258	http://www.hmdb.ca/metabolites/HMDB00241	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00241	Protoporphyrin IX	C34H34N4O4	562.258	http://www.hmdb.ca/metabolites/HMDB00241	HMDB	NA	NA
+C02191	Protoporphyrin	C34H34N4O4	562.258	NA	KEGG	NA	NA
+HMDB00241	Protoporphyrin IX	C34H34N4O4	562.258	http://www.hmdb.ca/metabolites/HMDB00241	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00241	Protoporphyrin IX	C34H34N4O4	562.258	HMDB00241	PFEM_hmdb_metabocards_official	NA	NA
+MJ081093	Protoporphyrin 	C34H34N4O4	562.258005	NA	MeJP	NA	NA
+MetaCyc03858	protoporphyrin IX [protoporphyrin;]	C34H34N4O4	562.258006	553-12-8	metacyc	NA	NA
+PJ005555	GTKEE 	C22H38N6O11	562.2599	NA	PeJP	NA	NA
+PJ005556	PCCLK 	C23H42N6O6S2	562.2607	NA	PeJP	NA	NA
+PJ005557	GPKMM 	C23H42N6O6S2	562.2608	NA	PeJP	NA	NA
+PJ005558	AAQHH 	C23H34N10O7	562.2612	NA	PeJP	NA	NA
+MJ081094	[[4'-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-propyl[1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; Butyl ester 	C31H38N4O4S	562.261376	NA	MeJP	NA	NA
+MJ081095	6-Hydroxy-2,6-dimethyl-2,7-octadienoic acid, [?-D-Glucopyranosyl-(1?3)-4-O-(2-methylbutanoyl)-?-L-arabinopyranoside] 	C26H42O13	562.262541	NA	MeJP	NA	NA
+MJ081096	Cinnzeylanol; 19-Hydroxy, 19-?-D-glucopyranoside 	C26H42O13	562.262541	NA	MeJP	NA	NA
+MJ081097	Cholest-5-ene-3,21-diol, Disulfate 	C27H46O8S2	562.263409	NA	MeJP	NA	NA
+PJ005559	CERR 	C20H38N10O7S	562.2646	NA	PeJP	NA	NA
+PJ005560	AMRW 	C25H38N8O5S	562.2686	NA	PeJP	NA	NA
+PJ005561	GTTER 	C21H38N8O10	562.2711	NA	PeJP	NA	NA
+PJ005562	NHHR 	C22H34N12O6	562.2724	NA	PeJP	NA	NA
+PJ005563	GGHHR 	C22H34N12O6	562.2725	NA	PeJP	NA	NA
+PJ005564	TKEW 	C26H38N6O8	562.2751	NA	PeJP	NA	NA
+MJ081098	1,3,4,5,8,10-Hexahydroxy-7(14),11-bisaboladien-2-one; 1,4,8-Triangeloyl 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081099	11,13-Epoxy-4,8,9-trihydroxy-3-oxo-10(14)-oplopen-12-oic acid, 8-(3-Methyl-2-pentenoyl), 9-(3-methylpentanoyl), 4-Ac, Me ester 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081100	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7-Butanoyl, 2,18,19-tri-Ac 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081101	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7-Butanoyl, 6,18,19-tri-Ac 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081102	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside] 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081103	2,3-Epoxy-1,5,8,10,11-pentahydroxy-7(14)-bisabolen-4-one; 1,5,8-Tri-O-angeloyl 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081104	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081105	3,8,12,14-Tetrahydroxybufa-4,20,22-trienolide, 3-O-?-D-Rhamnopyranoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081106	3,8,14-Trihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081107	3,9,12,14-Tetrahydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081108	4(20),11-Taxadiene-2,5,9,10,13-pentol, Penta-Ac 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081109	4(20),11-Taxadiene-2,5,9,10,14-pentol, Penta-Ac 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081110	4(20),11-Taxadiene-5,7,9,10,13-pentol, Penta-Ac 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081111	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-Diginoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081112	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-D-Sarmentoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081113	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-?-L-Oleandroside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081114	7,8-Epoxy-3,12,14-trihydroxy-11-oxocard-20(22)-enolide, 3-O-?-L-Oleandroside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081115	Affinoside C; 12-Oxo, 11?-alcohol 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081116	Affinoside C; 12?-Hydroxy 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081117	Affinoside C; 4'?-Hydroxy 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081118	Anodendroside F 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081119	Hexanorcucurbitacin F; 2,3-Diketone, 2-O-?-D-glucopyranoside (of enol) 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081120	Ingol; 2-Epimer, 7-(2-methylpropanoyl), 3,8,12-tri-Ac 	C30H42O10	562.277797	NA	MeJP	NA	NA
+MJ081121	Kopeolin; 3'-O-?-D-Glucopyranoside 	C30H42O10	562.277797	NA	MeJP	NA	NA
+7341	celiac sprue gluten epitope from gamma-gliadin	QRPQQPFPQ	562.2785	MH2+	Inhouse_peptide	NA	peptide
+7389	celiac sprue gluten epitope found in hordein	QQPQQPFPR	562.2785	MH2+	Inhouse_peptide	NA	peptide
+7407	celiac sprue gluten epitope found in secalin	QQPFPQRPQ	562.2785	MH2+	Inhouse_peptide	NA	peptide
+PJ005565	GVKEM 	C23H42N6O8S	562.2785	NA	PeJP	NA	NA
+MJ081122	D-Urobilinogen 	C31H38N4O6	562.279135	NA	MeJP	NA	NA
+MJ081123	Cholest-22-ene-3,4,6,8,15,16,24-heptol, 3-Sulfate 	C27H46O10S	562.281168	NA	MeJP	NA	NA
+MJ081124	Cholest-24-ene-3,4,6,8,14,15,26-heptol, 15-Sulfate 	C27H46O10S	562.281168	NA	MeJP	NA	NA
+PJ005566	TTRW 	C25H38N8O7	562.2864	NA	PeJP	NA	NA
+MJ081125	Antibiotic TAN 420; Antibiotic TAN 420C 	C29H42N2O9	562.28903	NA	MeJP	NA	NA
+MJ081126	Geldanamycin; 4,5-Dihydro 	C29H42N2O9	562.28903	NA	MeJP	NA	NA
+PJ005567	KEMR 	C22H42N8O7S	562.2897	NA	PeJP	NA	NA
+PJ005568	GGACKK 	C22H42N8O7S	562.2898	NA	PeJP	NA	NA
+PJ005569	LHFF 	C30H38N6O5	562.2904	NA	PeJP	NA	NA
+MJ081127	Scortechinone A 	C34H42O7	562.293053	NA	MeJP	NA	NA
+PJ005570	VKMW 	C27H42N6O5S	562.2938	NA	PeJP	NA	NA
+PJ005571	SSLKE 	C23H42N6O10	562.2963	NA	PeJP	NA	NA
+PJ005572	GPPHR 	C24H38N10O6	562.2976	NA	PeJP	NA	NA
+MJ081128	1,3(15),6-Farnesatriene-10,11-diol; 10-O-[?-D-Glucopyranosyl(1?4)-?-D-glucopyranoside] 	C27H46O12	562.298926	NA	MeJP	NA	NA
+MJ081129	4(15)-Eudesmene-2,11-diol; 2?-form, 2,11-Di-O-?-D-glucopyranoside 	C27H46O12	562.298926	NA	MeJP	NA	NA
+PJ005573	TMRR 	C21H42N10O6S	562.301	NA	PeJP	NA	NA
+PJ005574	SSTLR 	C22H42N8O9	562.3075	NA	PeJP	NA	NA
+2574	tuftsin	YKPR	562.31	antibacterial	Inhouse_peptide	NA	peptide
+8177	tuftsin (human Fc region of IgG)	YKPR	562.31	antibacterial	Inhouse_peptide	NA	peptide
+7661	ACE inhibitor from as1-CN (136-139)	LFRQ	562.311	antioxidative	Inhouse_peptide	NA	peptide
+PJ005575	GPVKY 	C27H42N6O7	562.3115	NA	PeJP	NA	NA
+MJ081130	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7,18-dibutanoyl, 19-Ac 	C31H46O9	562.314183	NA	MeJP	NA	NA
+MJ081131	4(20),11-Taxadiene-2,5,10,14-tetrol, 14-(3-Hydroxy-2-methylbutanoyl), 2,5,10-tri-Ac 	C31H46O9	562.314183	NA	MeJP	NA	NA
+MJ081132	4(20),11-Taxadiene-2,5,7,9,10-pentol, 2-(2-Methylbutanoyl), 7,9,10-tri-Ac 	C31H46O9	562.314183	NA	MeJP	NA	NA
+MJ081133	4(20),11-Taxadiene-2,5,9,10,14-pentol, 14-(2-Methylbutanoyl), 2,9,10-tri-Ac 	C31H46O9	562.314183	NA	MeJP	NA	NA
+MJ081134	5,9-Epoxy-2,12,14-trihydroxy-6,8-briaradien-18-oic acid; 2,12-Dibutanoyl, 14-Ac, Me ester 	C31H46O9	562.314183	NA	MeJP	NA	NA
+MJ081135	Cyasterone; 22-Ac 	C31H46O9	562.314183	NA	MeJP	NA	NA
+MJ081136	Cyasterone; 3-Ac 	C31H46O9	562.314183	NA	MeJP	NA	NA
+PJ005576	ATLKM 	C24H46N6O7S	562.3149	NA	PeJP	NA	NA
+C12896	Carpipramine maleate	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12898	Transferred to D01451	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12899	Transferred to D01452	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12900	Transferred to D01453	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12901	Transferred to D01454	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12902	Transferred to D01455	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12903	Transferred to D01456	C28H38N4O	562.3155	NA	KEGG	NA	NA
+C12904	Transferred to D01457	C28H38N4O	562.3155	NA	KEGG	NA	NA
+MJ081137	Ergostane-3,5,6,15,16,26-hexol, 26-Sulfate 	C28H50O9S	562.317553	NA	MeJP	NA	NA
+MJ081138	Ergostane-3,5,6,15,24,28-hexol, 28-Sulfate 	C28H50O9S	562.317553	NA	MeJP	NA	NA
+PJ005577	PKRY 	C26H42N8O6	562.3228	NA	PeJP	NA	NA
+PJ005578	GCKKK 	C23H46N8O6S	562.3261	NA	PeJP	NA	NA
+MJ081139	Calozeylanic acid 	C35H46O6	562.329439	NA	MeJP	NA	NA
+MJ081140	Laxifloranone 	C35H46O6	562.329439	NA	MeJP	NA	NA
+MJ081141	Mesuanic acid 	C35H46O6	562.329439	NA	MeJP	NA	NA
+MJ081142	Schweinfurthin A; 5-Me ether 	C35H46O6	562.329439	NA	MeJP	NA	NA
+PJ005579	TTTLK 	C24H46N6O9	562.3326	NA	PeJP	NA	NA
+MJ081143	3-O-(?-L-Mycarosyl)-8-hydroxyerythronolide B 	C28H50O11	562.335312	NA	MeJP	NA	NA
+PJ005580	GVLKF 	C28H46N6O6	562.3479	NA	PeJP	NA	NA
+MJ081144	6,13-Epoxy-4,9,11-trihydroxy-8(19)-eunicellen-16,12-olide, 11-Octanoyl, 9-butanoyl 	C32H50O8	562.350568	NA	MeJP	NA	NA
+MJ081145	6,7-Epoxy-4,5,9,13,20-pentahydroxy-1-tiglien-3-one, 13-Dodecanoyl 	C32H50O8	562.350568	NA	MeJP	NA	NA
+MJ081146	Amphidinolide B 	C32H50O8	562.350568	NA	MeJP	NA	NA
+MJ081147	Amphidinolide G 	C32H50O8	562.350568	NA	MeJP	NA	NA
+MJ081148	Amphidinolide L 	C32H50O8	562.350568	NA	MeJP	NA	NA
+MJ081149	Hippuristanol; 22-Epimer,2?-acetoxy, 3-Ac 	C32H50O8	562.350568	NA	MeJP	NA	NA
+C09065	Baliospermin	C32H50O8	562.3506	NA	KEGG	NA	NA
+PJ005581	LKFR 	C27H46N8O5	562.3591	NA	PeJP	NA	NA
+MJ081150	24-Nor-4(23),22(29)-hopadiene-3,6,7-triol, 7-(4-Hydroxybenzoyl) 	C36H50O5	562.365824	NA	MeJP	NA	NA
+MJ081151	Buxanaldinine 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081152	Buxanoldine; O16-Ac 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081153	Buxanoldine; O31-Ac 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081154	Buxidienine I; N20,N20-Di-Me, N3-benzoyl, O16-Ac 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081155	Buxidienine I; N20,N20-Di-Me, N3-benzoyl, O30-Ac 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081156	Cyclomicrophylline I; N20,N20-Di-Me, N3-benzoyl, O16-Ac 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081157	Cycloxobuxoline I; N3-Benzoyl, N20,N20-di-Me, O-Ac 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081158	Lycodiflexine 	C35H50N2O4	562.377058	NA	MeJP	NA	NA
+MJ081159	3,4-Didehydro-?,?-carotene-2,2'-dione 	C40H50O2	562.38108	NA	MeJP	NA	NA
+MJ081160	Eschscholtzxanthin; Diketone 	C40H50O2	562.38108	NA	MeJP	NA	NA
+MJ081161	Eutreptiellanone 	C40H50O2	562.38108	NA	MeJP	NA	NA
+MJ081162	Isoclathriaxanthin 	C40H50O2	562.38108	NA	MeJP	NA	NA
+C08610	Rhodoxanthin	C40H50O2	562.3811	NA	KEGG	NA	NA
+MJ081163	20,24-Epoxydammarane-3,12,25-triol, 3-Malonyl 	C33H54O7	562.386954	NA	MeJP	NA	NA
+MJ081164	5-Tricosene-1,2,3,4-tetrol; 1-O-(4-Hydroxy-3-methoxycinnamoyl) 	C33H54O7	562.386954	NA	MeJP	NA	NA
+MJ081165	Cholesta-7,9(11)-diene-3,15,24-triol, 3-(2-O-Methyl-?-D-xylopyranoside) 	C33H54O7	562.386954	NA	MeJP	NA	NA
+HMDB10330	Cholesterol glucuronide	C33H54O7	562.386963	NA	HMDB2010	NA	NA
+C05200	3-Hexaprenyl-4,5-dihydroxybenzoate	C37H54O4	562.4022	NA	KEGG	NA	NA
+MJ081166	3-Hexaprenyl-4,5-dihydroxybenzoate 	C37H54O4	562.40221	NA	MeJP	NA	NA
+MJ081167	3,22-Dihydroxy-4-methylstigmast-7-en-6-one, 3-Benzoyl 	C37H54O4	562.40221	NA	MeJP	NA	NA
+MJ081168	Cholest-5-en-3-ol, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C37H54O4	562.40221	NA	MeJP	NA	NA
+MJ081169	Ergost-5-en-3-ol, 3,4-Dihydroxycinnamoyl 	C37H54O4	562.40221	NA	MeJP	NA	NA
+MJ081170	Prunusol A 	C37H54O4	562.40221	NA	MeJP	NA	NA
+MetaCyc03859	3-hexaprenyl-4,5-dihydroxybenzoate [3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid;]	C37H54O4	562.40221	NA	metacyc	NA	NA
+HMDB01063	3-Hexaprenyl-4,5-Dihydroxybenzoic acid	C37H54O4	562.40222	http://www.hmdb.ca/metabolites/HMDB01063	HMDB	NA	NA
+HMDB01063	3-Hexaprenyl-4,5-Dihydroxybenzoic acid	C37H54O4	562.40222	HMDB01063	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01063	3-Hexaprenyl-4,5-Dihydroxybenzoic acid	C37H54O4	562.402222	NA	HMDB2010	NA	NA
+MJ081171	Isoagelaxanthin A; Me ether 	C41H54O	562.417466	NA	MeJP	NA	NA
+MJ081172	Ergost-5-en-3-ol, O-?-D-Glucopyranoside 	C34H58O6	562.423339	NA	MeJP	NA	NA
+MJ081173	Ergost-5-ene-3,25-diol, 3-O-?-L-Fucopyranoside 	C34H58O6	562.423339	NA	MeJP	NA	NA
+HMDB12147	2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol	C38H58O3	562.438599	NA	HMDB2010	NA	NA
+MJ081174	1-Tricosene-4,6,8,10,12,14,16,18-octol, Octa-Me ether 	C31H62O8	562.444468	NA	MeJP	NA	NA
+HMDB07017	DG(14:0/18:3(6Z,9Z,12Z)/0:0)	C35H62O5	562.459717	NA	HMDB2010	NA	NA
+HMDB07018	DG(14:0/18:3(9Z,12Z,15Z)/0:0)	C35H62O5	562.459717	NA	HMDB2010	NA	NA
+HMDB07045	DG(14:1(9Z)/18:2(9Z,12Z)/0:0)	C35H62O5	562.459717	NA	HMDB2010	NA	NA
+HMDB07241	DG(18:2(9Z,12Z)/14:1(9Z)/0:0)	C35H62O5	562.459717	NA	HMDB2010	NA	NA
+HMDB07269	DG(18:3(6Z,9Z,12Z)/14:0/0:0)	C35H62O5	562.459717	NA	HMDB2010	NA	NA
+HMDB07298	DG(18:3(9Z,12Z,15Z)/14:0/0:0)	C35H62O5	562.459717	NA	HMDB2010	NA	NA
+MJ081175	29-(1,2,3,4,5-Pentahydroxypentyl)hopane 	C35H62O5	562.459725	NA	MeJP	NA	NA
+MJ081176	29-(2,3,4,5-Tetrahydroxypentyl)-29-hopanol 	C35H62O5	562.459725	NA	MeJP	NA	NA
+MJ081177	Robustocin 	C35H62O5	562.459725	NA	MeJP	NA	NA
+MJ081178	1-Hydroxy-1,2-dihydrophytoene 	C40H66O	562.511366	NA	MeJP	NA	NA
+MJ081179	7,7',8,8',11,11',12,12',15,15'-Decahydrolycopene; 15-Hydroxy 	C40H66O	562.511366	NA	MeJP	NA	NA
+MJ081180	Isohydroxylycopersene 	C40H66O	562.511366	NA	MeJP	NA	NA
+MJ081181	Polyprenol; Betulaprenol 8 	C40H66O	562.511366	NA	MeJP	NA	NA
+MJ081182	Prephytoene alcohol 	C40H66O	562.511366	NA	MeJP	NA	NA
+MetaCyc03860	farnesylfarnesylgeraniol []	C40H66O1	562.511367	NA	metacyc	NA	NA
+MJ081183	Sinulamide 	C34H67N4O2(+)	562.518577	NA	MeJP	NA	NA
+MJ081184	15,19,23-Trimethylheptatriacontane 	C40H82	562.641652	NA	MeJP	NA	NA
+3571	NA	SGIQSEPKAIP	562.794	MH2+	Inhouse_peptide	NA	peptide
+MJ081185	Bis(glucoheptonato)oxotechnetate(V)(1-) 	C14H24O17Tc(-)	563.01639	NA	MeJP	NA	NA
+MetaCyc03861	UDP-L-Ara4-Formyl-N []	C15H23N3O16P2	563.055355	NA	metacyc	NA	NA
+C16154	UDP-L-Ara4FN	C15H23N3O16P2	563.0554	NA	KEGG	NA	NA
+C13031	Estramustine phosphate sodium	C23H30Cl2NO6P	563.0983	NA	KEGG	NA	NA
+C13032	Transferred to D01575	C23H30Cl2NO6P	563.0983	NA	KEGG	NA	NA
+C13033	Transferred to D01576	C23H30Cl2NO6P	563.0983	NA	KEGG	NA	NA
+C13034	Transferred to D01577	C23H30Cl2NO6P	563.0983	NA	KEGG	NA	NA
+C13035	Transferred to D01578	C23H30Cl2NO6P	563.0983	NA	KEGG	NA	NA
+C13036	Transferred to D01579	C23H30Cl2NO6P	563.0983	NA	KEGG	NA	NA
+MJ081186	Mercaptomerin 	C16H27HgNO6S	563.126533	NA	MeJP	NA	NA
+MJ081187	Pradimicin P; 6-Deoxy, 7,11-di-Me ether 	C29H25NO11	563.14276	NA	MeJP	NA	NA
+PJ005582	SCCDH 	C19H29N7O9S2	563.1468	NA	PeJP	NA	NA
+PJ005583	PCDDD 	C20H29N5O12S	563.1534	NA	PeJP	NA	NA
+MJ081188	Cephamycin B; Deoxy 	C25H29N3O10S	563.157364	NA	MeJP	NA	NA
+PJ005584	ACCMH 	C20H33N7O6S3	563.1655	NA	PeJP	NA	NA
+MJ081189	Fentonium(1+); Bromide 	C31H34BrNO4	563.167121	NA	MeJP	NA	NA
+PJ005585	GDDEE 	C20H29N5O14	563.1711	NA	PeJP	NA	NA
+PJ005586	SNNDD 	C19H29N7O13	563.1824	NA	PeJP	NA	NA
+MJ081190	Thiocolchicoside 	C27H33NO10S	563.182516	NA	MeJP	NA	NA
+PJ005587	SSCMH 	C20H33N7O8S2	563.1832	NA	PeJP	NA	NA
+PJ005588	DDEW 	C24H29N5O11	563.1864	NA	PeJP	NA	NA
+PJ005589	SPDDM 	C21H33N5O11S	563.1898	NA	PeJP	NA	NA
+MJ081191	Polygonapholine 	C34H29NO7	563.194402	NA	MeJP	NA	NA
+MJ081192	Neoipecoside; 3,4-Didehydro 	C27H33NO12	563.200275	NA	MeJP	NA	NA
+PJ005590	GNNEM 	C20H33N7O10S	563.201	NA	PeJP	NA	NA
+PJ005591	GTEEE 	C21H33N5O13	563.2075	NA	PeJP	NA	NA
+PJ005592	GPEMM 	C22H37N5O8S2	563.2084	NA	PeJP	NA	NA
+PJ005593	GCNDR 	C19H33N9O9S	563.2122	NA	PeJP	NA	NA
+MJ081193	Ravidomycin 	C31H33NO9	563.215531	NA	MeJP	NA	NA
+MJ081194	Rocaglatic acid; 3'-Hydroxy, 1-Ac, dimethylamide 	C31H33NO9	563.215531	NA	MeJP	NA	NA
+PJ005594	NNMW 	C24H33N7O7S	563.2162	NA	PeJP	NA	NA
+PJ005595	GGGGMW 	C24H33N7O7S	563.2163	NA	PeJP	NA	NA
+PJ005596	SSNQE 	C20H33N7O12	563.2187	NA	PeJP	NA	NA
+PJ005597	GGGGSTE 	C20H33N7O12	563.2188	NA	PeJP	NA	NA
+PJ005598	PCCNK 	C21H37N7O7S2	563.2196	NA	PeJP	NA	NA
+PJ005599	TEEW 	C25H33N5O10	563.2228	NA	PeJP	NA	NA
+C14125	UR-12947	C26H37N5O5S2	563.2236	NA	KEGG	NA	NA
+PJ005600	PMMW 	C26H37N5O5S2	563.2236	NA	PeJP	NA	NA
+PJ005601	GVEEM 	C22H37N5O10S	563.2261	NA	PeJP	NA	NA
+PJ005602	APCHH 	C23H33N9O6S	563.2275	NA	PeJP	NA	NA
+PJ005603	GSSQW 	C24H33N7O9	563.234	NA	PeJP	NA	NA
+PJ005604	EEMR 	C21H37N7O9S	563.2374	NA	PeJP	NA	NA
+PJ005605	PDFW 	C29H33N5O7	563.238	NA	PeJP	NA	NA
+MJ081195	Geodiamolide G; Chloro analogue 	C28H38ClN3O7	563.239828	NA	MeJP	NA	NA
+PJ005606	VEMW 	C26H37N5O7S	563.2414	NA	PeJP	NA	NA
+MJ081196	Elacridar 	C34H33N3O5	563.242021	NA	MeJP	NA	NA
+PJ005607	SSLEE 	C22H37N5O12	563.2439	NA	PeJP	NA	NA
+PJ005608	SPVMM 	C23H41N5O7S2	563.2448	NA	PeJP	NA	NA
+PJ005609	AAEHH 	C23H33N9O8	563.2452	NA	PeJP	NA	NA
+PJ005610	GSNMR 	C20H37N9O8S	563.2486	NA	PeJP	NA	NA
+PJ005611	NHFF 	C28H33N7O6	563.2493	NA	PeJP	NA	NA
+PJ005612	CQKW 	C25H37N7O6S	563.2526	NA	PeJP	NA	NA
+MJ081197	Frakefamide 	C30H34FN5O5	563.254397	NA	MeJP	NA	NA
+PJ005613	SSNKE 	C21H37N7O11	563.2551	NA	PeJP	NA	NA
+PJ005614	DHHR 	C22H33N11O7	563.2565	NA	PeJP	NA	NA
+MJ081198	3-Hydroxycholan-24-oic acid, N-(2-Sulfoethyl)amide, 3-sulfate 	C26H45NO8S2	563.258658	NA	MeJP	NA	NA
+MetaCyc03862	taurolithocholate sulfate [3&alpha;-sulfatolithocholyltaurine;taurolithocholic acid 3-sulfate;]	C26H45N1O8S2	563.258659	NA	metacyc	NA	NA
+HMDB02580	Taurolithocholic acid 3-sulfate	C26H45NO8S2	563.258667	NA	HMDB2010	NA	NA
+HMDB02580	Taurolithocholic acid 3-sulfate	C26H45NO8S2	563.25867	http://www.hmdb.ca/metabolites/HMDB02580	HMDB	NA	NA
+HMDB02580	Taurolithocholic acid 3-sulfate	C26H45NO8S2	563.25867	HMDB02580	PFEM_hmdb_metabocards_official	NA	NA
+C03642	Taurolithocholate sulfate	C26H45NO8S2	563.2587	NA	KEGG	NA	NA
+C03643	[Tyrosine-3-monoxygenase]	C26H45NO8S2	563.2587	NA	KEGG	NA	NA
+C03645	alpha-L-Arabinofuranoside	C5H9O5R	563.2587	NA	KEGG	NA	NA
+PJ005615	SPPTY 	C26H37N5O9	563.2591	NA	PeJP	NA	NA
+PJ005616	GPVEY 	C26H37N5O9	563.2592	NA	PeJP	NA	NA
+PJ005617	ATLEM 	C23H41N5O9S	563.2625	NA	PeJP	NA	NA
+PJ005618	SSSQR 	C20H37N9O10	563.2664	NA	PeJP	NA	NA
+PJ005619	GSSKW 	C25H37N7O8	563.2704	NA	PeJP	NA	NA
+PJ005620	GTQKM 	C22H41N7O8S	563.2737	NA	PeJP	NA	NA
+PJ005621	ASQKM 	C22H41N7O8S	563.2738	NA	PeJP	NA	NA
+PJ005622	PVYW 	C30H37N5O6	563.2744	NA	PeJP	NA	NA
+MJ081199	2-Propyl-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid 	C31H33N9O2	563.275721	NA	MeJP	NA	NA
+PJ005623	GPLMF 	C27H41N5O6S	563.2778	NA	PeJP	NA	NA
+PJ005624	TTTLE 	C23H41N5O11	563.2803	NA	PeJP	NA	NA
+PJ005625	GLLMM 	C24H45N5O6S2	563.2811	NA	PeJP	NA	NA
+PJ005626	AVLMM 	C24H45N5O6S2	563.2812	NA	PeJP	NA	NA
+PJ005627	NQFR 	C24H37N9O7	563.2816	NA	PeJP	NA	NA
+PJ005628	GTCKR 	C21H41N9O7S	563.285	NA	PeJP	NA	NA
+PJ005629	CKKW 	C26H41N7O5S	563.289	NA	PeJP	NA	NA
+PJ005630	SSDKK 	C22H41N7O10	563.2915	NA	PeJP	NA	NA
+PJ005631	APTLY 	C27H41N5O8	563.2955	NA	PeJP	NA	NA
+MJ081200	Proctolin; 1-L-Alanine analogue 	C27H41N5O8	563.295513	NA	MeJP	NA	NA
+EUR765	Lyso PC 20:5 [M+Na]+	C28H48NO7P	563.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR765	Lyso PC 20:5 [M+Na]+	C28H48NO7P	563.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR765	Lyso PC 20:5 [M+Na]+	C28H48NO7P	563.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR765	Lyso PC 20:5 [M+Na]+	C28H48NO7P	563.298788	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005632	STLLM 	C24H45N5O8S	563.2989	NA	PeJP	NA	NA
+MJ081201	Fosinoprilat; 1'-Propanoyl ester 	C30H46NO7P	563.301189	NA	MeJP	NA	NA
+C07016	Fosinopril	C30H46NO7P	563.3012	NA	KEGG	NA	NA
+C07017	Transferred to D00331	C30H46NO7P	563.3012	NA	KEGG	NA	NA
+C07018	Transferred to D00332	C30H46NO7P	563.3012	NA	KEGG	NA	NA
+C07019	Transferred to D00333	C30H46NO7P	563.3012	NA	KEGG	NA	NA
+C07020	Transferred to D00334	C30H46NO7P	563.3012	NA	KEGG	NA	NA
+C07021	Transferred to D00335	C30H46NO7P	563.3012	NA	KEGG	NA	NA
+PJ005633	SSSKR 	C21H41N9O9	563.3027	NA	PeJP	NA	NA
+PJ005634	LEFR 	C26H41N7O7	563.3068	NA	PeJP	NA	NA
+MJ081202	Dictyocarpinine; 14-O-(2-Methylpropanoyl), 6-Ac 	C30H45NO9	563.309432	NA	MeJP	NA	NA
+MJ081203	Neoline; Tri-Ac 	C30H45NO9	563.309432	NA	MeJP	NA	NA
+PJ005635	GTKKM 	C23H45N7O7S	563.3101	NA	PeJP	NA	NA
+PJ005636	VLFW 	C31H41N5O5	563.3108	NA	PeJP	NA	NA
+PJ005637	NKFR 	C25H41N9O6	563.318	NA	PeJP	NA	NA
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR532	18 :0 Lyso PE F2	NA	563.318925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR532	18 :0 Lyso PE F2	NA	563.318925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR532	18 :0 Lyso PE F2	NA	563.318925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR532	18 :0 Lyso PE F2	NA	563.318925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR532	18 :0 Lyso PE F2	F2	563.318925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR727	Lyso PC 18:3 [M+FA-H]-	C26H48NO7P	563.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR727	Lyso PC 18:3 [M+FA-H]-	C26H48NO7P	563.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR727	Lyso PC 18:3 [M+FA-H]-	C26H48NO7P	563.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR727	Lyso PC 18:3 [M+FA-H]-	C26H48NO7P	563.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR566	LysoPC(18:3)	[M+FA-H]-	563.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR878	Lyso PE 20:3 [M-H+acetate]-	C25H46NO7P	563.322292	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR878	Lyso PE 20:3 [M-H+acetate]-	C25H46NO7P	563.322292	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR878	Lyso PE 20:3 [M-H+acetate]-	C25H46NO7P	563.322292	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR878	Lyso PE 20:3 [M-H+acetate]-	C25H46NO7P	563.322292	masses lipides attendues	Inhousejuil11	NA	NA
+MJ081204	Petunianine A 	C34H45NO6	563.324688	NA	MeJP	NA	NA
+PJ005638	STTKK 	C23H45N7O9	563.3279	NA	PeJP	NA	NA
+MJ081205	Destruxin A; Destruxin A, N3-De-Me 	C28H45N5O7	563.331898	NA	MeJP	NA	NA
+MJ081206	Destruxin A; Destruxin A2 	C28H45N5O7	563.331898	NA	MeJP	NA	NA
+PJ005639	GVLLY 	C28H45N5O7	563.3319	NA	PeJP	NA	NA
+MJ081207	Beauverolide F 	C33H45N3O5	563.335921	NA	MeJP	NA	NA
+PJ005640	LLRY 	C27H45N7O6	563.3432	NA	PeJP	NA	NA
+MJ081208	Desocriptine 	C32H45N5O4	563.347154	NA	MeJP	NA	NA
+MJ081209	O-Deethyltalaroconvolutin C; 4',5'-Isopropylidene 	C35H49NO5	563.361073	NA	MeJP	NA	NA
+HMDB11498	LysoPE(0:0/24:1(15Z))	C29H58NO7P	563.395081	NA	HMDB2010	NA	NA
+HMDB11528	LysoPE(24:1(15Z)/0:0)	C29H58NO7P	563.395081	NA	HMDB2010	NA	NA
+EUR776	Lyso PC 22:1 [M-H-CH3]-	C30H60NO7P	563.395092	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR919	Lyso PE 24:1 monoisotopic mass 	C29H58NO7P	563.395092	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR776	Lyso PC 22:1 [M-H-CH3]-	C30H60NO7P	563.395092	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR919	Lyso PE 24:1 monoisotopic mass 	C29H58NO7P	563.395092	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR776	Lyso PC 22:1 [M-H-CH3]-	C30H60NO7P	563.395092	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR919	Lyso PE 24:1 monoisotopic mass 	C29H58NO7P	563.395092	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR776	Lyso PC 22:1 [M-H-CH3]-	C30H60NO7P	563.395092	masses lipides attendues	Inhousejuil11	NA	NA
+EUR919	Lyso PE 24:1 monoisotopic mass 	C29H58NO7P	563.395092	masses lipides attendues	Inhousejuil11	NA	NA
+MJ081210	2-Amino-4-octadecene-1,3-diol, N-(9-Octadecenoyl) 	C36H69NO3	563.527745	NA	MeJP	NA	NA
+HMDB04948	Ceramide (d18:1/9Z-18:1)	C36H69NO3	563.52777	http://www.hmdb.ca/metabolites/HMDB04948	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04948	Ceramide (d18:1/9Z-18:1)	C36H69NO3	563.52777	http://www.hmdb.ca/metabolites/HMDB04948	HMDB	NA	NA
+HMDB04948	Ceramide (d18:1/9Z-18:1)	C36H69NO3	563.52777	http://www.hmdb.ca/metabolites/HMDB04948	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04948	Ceramide (d18:1/9Z-18:1)	C36H69NO3	563.52777	HMDB04948	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04948	Ceramide (d18:1/9Z-18:1)	C36H69NO3	563.527771	NA	HMDB2010	NA	NA
+HMDB11774	Cer(d18:1/18:1(11Z))	C36H69NO3	563.527771	NA	HMDB2010	NA	NA
+7336	celiac sprue gluten epitope from gamma-gliadin	QQPQQQFPQ	563.76	MH2+	Inhouse_peptide	NA	peptide
+7337	celiac sprue gluten epitope from gamma-gliadin	QQQQFPQPQ	563.76	MH2+	Inhouse_peptide	NA	peptide
+7410	celiac sprue gluten epitope found in secalin	QQQFPQQPQ	563.76	MH2+	Inhouse_peptide	NA	peptide
+MJ081211	2-[Bromo(3,5-dibromo-6-ethyltetrahydro-2H-pyran-2-yl)methyl]-5-(1-bromo-2-propynyl)tetrahydro-3-furanol 	C15H20Br4O3	563.814595	NA	MeJP	NA	NA
+MJ081212	2-[Bromo[3-bromo-5-(1-bromopropyl)tetrahydro-2-furanyl]methyl]-5-(3-bromo-1,2-propadienyl)tetrahydro-3-furanol 	C15H20Br4O3	563.814595	NA	MeJP	NA	NA
+MJ081213	3,6,8,15-Tetrabromo-4,10:9,12-diepoxy-13,14-pentadecadien-7-ol 	C15H20Br4O3	563.814595	NA	MeJP	NA	NA
+MJ081214	Oganomycin GF 	C18H20N4O9S4	564.011311	NA	MeJP	NA	NA
+MJ081215	Dibrospidium (2+); Dichloride 	C18H32Br2Cl2N4O2	564.026906	NA	MeJP	NA	NA
+C12210	UDP-3-ketoglucose	C15H22N2O17P2	564.0394	NA	KEGG	NA	NA
+MJ081216	Antibiotic FCE 20637 	C18H16N10O6S3	564.04164	NA	MeJP	NA	NA
+HMDB01328	dTDP-D-glucose	C16H26N2O16P2	564.07574	http://www.hmdb.ca/metabolites/HMDB01328	HMDB	NA	NA
+HMDB06876	dTDP-D-galactose	C16H26N2O16P2	564.07574	http://www.hmdb.ca/metabolites/HMDB06876	HMDB	NA	NA
+HMDB01328	dTDP-D-glucose	C16H26N2O16P2	564.07574	HMDB01328	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06876	dTDP-D-galactose	C16H26N2O16P2	564.07574	HMDB06876	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01328	dTDP-D-glucose	C16H26N2O16P2	564.075745	NA	HMDB2010	NA	NA
+HMDB06876	dTDP-D-galactose	C16H26N2O16P2	564.075745	NA	HMDB2010	NA	NA
+MJ081217	dTDPgalactose 	C16H26N2O16P2	564.075755	NA	MeJP	NA	NA
+MJ081218	dTDPglucose 	C16H26N2O16P2	564.075755	NA	MeJP	NA	NA
+MetaCyc03863	dTDP-D-glucose [dTDP-glucose;]	C16H26N2O16P2	564.075756	2009-24-7	metacyc	NA	NA
+MetaCyc03864	dTDP-D-galactose [dTDP-galactose;]	C16H26N2O16P2	564.075756	NA	metacyc	NA	NA
+C00842	dTDP-glucose	C16H26N2O16P2	564.0758	NA	KEGG	NA	NA
+C02097	dTDP-galactose	C16H26N2O16P2	564.0758	NA	KEGG	NA	NA
+MJ081219	9,10-Diiodooctadecanoic acid; Et ester 	C20H38I2O2	564.096117	NA	MeJP	NA	NA
+MJ081220	Pretamazium(1+); Iodide 	C29H29IN2S	564.109613	NA	MeJP	NA	NA
+MJ081221	3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-(4-O-Malonyl-?-L-rhamnopyranoside) 	C25H24O15	564.11152	NA	MeJP	NA	NA
+MJ081222	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-Malonyl 	C25H24O15	564.11152	NA	MeJP	NA	NA
+MJ081223	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[6-O-(2-Hydroxysuccinoyl)-?-D-glucopyranoside] 	C25H25O15(+)	564.11152	NA	MeJP	NA	NA
+FL5FADGL0035	Isorhamnetin 3-(6''-malonylglucoside)	C25H24O15	564.11152	86555-37-5	knapsack	NA	NA
+FL5FAHGS0005	Larycitrin 3-(4''-malonylrhamnoside);Myricetin 3' methyl ether 3-(4''-malonylrhamnoside)	C25H24O15	564.11152	-	knapsack	NA	NA
+HMDB05788	Theaflavin	C29H24O12	564.12677	http://www.hmdb.ca/metabolites/HMDB05788	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05788	Theaflavin	C29H24O12	564.12677	http://www.hmdb.ca/metabolites/HMDB05788	HMDB	NA	NA
+FL5FAAGS0046	Kaempferol 3-(2''-p-coumaryl-alpha-L-arabinopyranoside)	C29H24O12	564.12677	-	knapsack	NA	NA
+FL5FAAGS0102	Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one	C29H24O12	564.12677	67214-05-5	knapsack	NA	NA
+HMDB05788	Theaflavin	C29H24O12	564.12677	http://www.hmdb.ca/metabolites/HMDB05788	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05788	Theaflavin	C29H24O12	564.12677	HMDB05788	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05788	Theaflavin	C29H24O12	564.12677	NA	HMDB2010	NA	NA
+MJ081224	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?2)-?-L-arabinofuranoside] 	C29H24O12	564.126776	NA	MeJP	NA	NA
+MJ081225	Theaflavin 	C29H24O12	564.126776	NA	MeJP	NA	NA
+MJ081226	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-arabinoside] 	C29H25O12(+)	564.126776	NA	MeJP	NA	NA
+MJ081227	Tantazole A 	C24H32N6O2S4	564.146957	NA	MeJP	NA	NA
+MJ081228	Tantazole F 	C24H32N6O2S4	564.146957	NA	MeJP	NA	NA
+C04858	Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]	C26H28O14	564.1479	NA	KEGG	NA	NA
+C10110	Neoschaftoside	C26H28O14	564.1479	NA	KEGG	NA	NA
+C10181	Schaftoside	C26H28O14	564.1479	NA	KEGG	NA	NA
+C16803	Glucofrangulin B	C26H28O14	564.1479	NA	KEGG	NA	NA
+FL1A3CGS0008	Leptosidin 6-xylosyl-(1->4)-arabinoside	C26H28O14	564.1479	98570-82-2	knapsack	NA	NA
+FL3FAACS0012	Kachimoside;Cachimoside;Vitexin 6''-O-xyloside	C26H28O14	564.1479	11054-09-4	knapsack	NA	NA
+FL3FAACS0013	Vicenin 1	C26H28O14	564.1479	35927-38-9	knapsack	NA	NA
+FL3FAACS0014	Schaftoside	C26H28O14	564.1479	51938-32-0	knapsack	NA	NA
+FL3FAACS0015	Isocorymboside	C26H28O14	564.1479	65634-13-1	knapsack	NA	NA
+FL3FAACS0016	Neocorymboside	C26H28O14	564.1479	117065-26-6	knapsack	NA	NA
+FL3FAACS0017	Vitexin 2''-O-alpha-D-arabinofuranoside	C26H28O14	564.1479	155346-48-8	knapsack	NA	NA
+FL3FAACS0018	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin	C26H28O14	564.1479	142759-73-7	knapsack	NA	NA
+FL3FAACS0019	6-C-Galactopyranosyl-8-C-xylopyranosylapigenin	C26H28O14	564.1479	142759-71-5	knapsack	NA	NA
+FL3FAACS0038	Apigenin 8-C-[xylosyl-(1->2)-galactoside]	C26H28O14	564.1479	155474-81-0	knapsack	NA	NA
+FL3FAACS0047	Vitexin 2''-O-xyloside	C26H28O14	564.1479	11044-10-3	knapsack	NA	NA
+FL3FAACS0048	Isovitexin 2''-O-xyloside	C26H28O14	564.1479	53609-37-3	knapsack	NA	NA
+FL3FAACS0049	Vicenin 3	C26H28O14	564.1479	59914-91-9	knapsack	NA	NA
+FL3FAACS0050	Isoschaftoside;Apigenin 6-C-alpha-L-arabinopyranoside-8-C-beta-D-glucopyranoside;Isoshaftoside	C26H28O14	564.1479	52012-29-0	knapsack	NA	NA
+FL3FAACS0051	Neoschaftoside	C26H28O14	564.1479	61328-41-4	knapsack	NA	NA
+FL3FAACS0052	Neoisoschaftoside	C26H28O14	564.1479	71976-87-9	knapsack	NA	NA
+FL3FAACS0053	Isomollupentin 2''-O-glucoside	C26H28O14	564.1479	97641-06-0	knapsack	NA	NA
+FL3FAACS0066	6-C-beta-D-Glucopyranosyl-8-C-beta-D-apiofuranosylapigenin;8-D-Apio-beta-D-furanosyl-6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C26H28O14	564.1479	628708-66-7	knapsack	NA	NA
+FL3FAACS0067	Corymboside;6-alpha-L-Arabinopyranosyl-8-beta-D-galactopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C26H28O14	564.1479	73543-87-0	knapsack	NA	NA
+FL3FAACS0071	Isovitexin 2''-O-arabinoside	C26H28O14	564.1479	53382-71-1	knapsack	NA	NA
+FL3FAADS0001	Isovitexin 7-O-xyloside	C26H28O14	564.1479	54951-90-5	knapsack	NA	NA
+FL3FAADS0022	Vitexin 4'-O-xyloside	C26H28O14	564.1479	28759-40-2	knapsack	NA	NA
+FL3FAADS0023	Isomollupentin 7-O-glucoside	C26H28O14	564.1479	97673-60-4	knapsack	NA	NA
+FL3FAADS0024	Isomollupentin 4'-O-glucoside	C26H28O14	564.1479	97641-05-9	knapsack	NA	NA
+FL3FAADS0025	Cerarvensin 7-O-glucoside	C26H28O14	564.1479	83161-44-8	knapsack	NA	NA
+FL3FAAGS0002	Apiin	C26H28O14	564.1479	26544-34-3	knapsack	NA	NA
+FL3FAAGS0016	Apigenin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside	C26H28O14	564.1479	111537-39-4	knapsack	NA	NA
+FL3FAAGS0017	Apigenin 7-alpha-L-arabinopyranosyl-(1->6)-glucoside	C26H28O14	564.1479	111537-38-3	knapsack	NA	NA
+FL3FAAGS0018	Apigenin 7-xylosyl-(1->2)-glucoside	C26H28O14	564.1479	-	knapsack	NA	NA
+FL3FAAGS0019	Apigenin 7-xylosyl-(1->6)-glucoside	C26H28O14	564.1479	111537-37-2	knapsack	NA	NA
+FL3FAAGS0057	Apigenin 7-apiofuranosyl-(1->6)-glucoside;5,7,4'-Trihydroxyflavone 7-apiofuranosyl-(1->6)-glucoside;7-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C26H28O14	564.1479	165073-98-3	knapsack	NA	NA
+FL3FACCS0023	6-C-Xylosylluteolin 2''-O-rhamnoside	C26H28O14	564.1479	33569-10-7	knapsack	NA	NA
+FL3FADGS0014	Luteolin 3'-methyl ether 7,4'-dixyloside	C26H28O14	564.1479	-	knapsack	NA	NA
+FL3FEAGS0007	Scutellarein 7-xylosyl-(1->4)rhamnoside	C26H28O14	564.1479	28620-94-2	knapsack	NA	NA
+FL3FEAGS0012	Scutellarein 6-xyloside-7-rhamnoside	C26H28O14	564.1479	83531-16-2	knapsack	NA	NA
+FL3FEAGS0049	Hispidulin 7-xylosyl-(1->2)-xyloside;Mahuangchiside;5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one	C26H28O14	564.1479	261361-51-7	knapsack	NA	NA
+FL3FGCGS0004	5,7,3'-Trihydroxy-6.8,4'-trimethoxyflavone 5-(6''-acetylglucoside)	C26H28O14	564.1479	72209-43-9	knapsack	NA	NA
+FL5FAAGS0019	Kaempferol 3-rhamnosyl-(1->4)-xyloside	C26H28O14	564.1479	61402-81-1	knapsack	NA	NA
+FL5FAAGS0020	Kaempferol 3-xylosyl-(1->2)-rhamnoside	C26H28O14	564.1479	130931-80-5	knapsack	NA	NA
+FL5FAAGS0023	Kaempferol 3-alpha-L-arabinofuranoside-7-rhamnoside	C26H28O14	564.1479	89946-00-9	knapsack	NA	NA
+FL5FAAGS0025	Lepidoside	C26H28O14	564.1479	102733-90-4	knapsack	NA	NA
+FL5FAAGS0026	Kaempferol 3-rhamnoside-7-alpha-L-arabionopyranoside	C26H28O14	564.1479	71801-95-1	knapsack	NA	NA
+FL5FAAGS0027	Kaempferol 3-rhamnoside-7-xyloside	C26H28O14	564.1479	132618-21-4	knapsack	NA	NA
+FL5FAAGS0033	Kaempferol 3-rhamnoside-4'-xyloside	C26H28O14	564.1479	132536-65-3	knapsack	NA	NA
+FL5FAAGS0071	Artabotryside B;Kaempferol 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinofuranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Bbenzopyran-4-one	C26H28O14	564.1479	188837-52-7	knapsack	NA	NA
+FL5FECGS0057	Patuletin 7-(6''-isobutyrylglucoside);Quercetagetin 6-methyl ether 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C26H28O14	564.1479	239133-35-8	knapsack	NA	NA
+FLIAAACS0003	8-C-Glucopyranosylgenistein 6''-O-apioside	C26H28O14	564.1479	114240-17-4	knapsack	NA	NA
+FLIAAAGS0010	Genistein 7-O-apiosyl-(1->6)-glucoside;Ambocin	C26H28O14	564.1479	108044-05-9	knapsack	NA	NA
+FLIAAAGS0012	Genistein 7-O-glucoside-4'-O-apioside;Neobacin	C26H28O14	564.1479	108069-00-7	knapsack	NA	NA
+MJ081229	7-O-(beta-D-apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081230	1,2,3-Trihydroxyanthraquinone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081231	1,2,5-Trihydroxy-6-methylanthraquinone; 2-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081232	1,2,7-Trihydroxy-6-methylanthraquinone; O2-?-Primeveroside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081233	1,3,8-Trihydroxy-6-methylanthraquinone; 3-O-?-D-Apiofuranoside, 1-O-?-D-glucopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081234	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081235	3',4',5,7-Tetrahydroxy 6-xylopyranosylflavone; ?-D-form, 2''-O-?-L-Rhamnopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081236	3',4',6,7-Tetrahydroxyaurone; 7-Me ether, 6-O-[?-D-xylopyranosyl-(1?4)-?-D-arabinopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081237	3',5,7-Trihydroxy-4',6,8-trimethoxyflavone; 5-O-(6-O-Acetyl-?-D-glucopyranoside) 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081238	3,3',4',5,6,7-Hexahydroxyflavone; 7-O-[2-Methylbutanoyl-(?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081239	3,3',4',5,6,7-Hexahydroxyflavone; 7-O-[3-Methylbutanoyl-(?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081240	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-[2-Methylpropanoyl-(?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081241	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinofuranoside, 7-O-?-L-rhamnofuranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081242	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081243	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinofuranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081244	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081245	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-xyloside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081246	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Arabinofuranoside, 7-O-?-L-rhamnofuranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081247	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 4'-O-?-D-xylopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081248	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-xylopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081249	4',5,6,7-Tetrahydroxyflavone; 6-O-?-D-Xylopyranoside, 7-O-?-L-rhamnoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081250	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081251	4',5,7-Trihydroxy-3'-methoxyflavone; 4',7-Di-O-?-D-xylopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081252	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081253	4',5,7-Trihydroxy-6-xylosyl-8-glucosylflavone 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081254	4',5,7-Trihydroxyflavone; 4'-O-[?-D-Xylofuranosyl-(1?4)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081255	4',5,7-Trihydroxyflavone; 7-O-[Arabinosyl-(1??)-glucoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081256	4',5,7-Trihydroxyflavone; 7-O-[Xylosyl-(1??)-glucoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081257	4',5,7-Trihydroxyisoflavone; 4'-O-?-D-Apiofuranoside, 7-O-?-D-glucopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081258	4',5,7-Trihydroxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081259	8-Galactopyranosyl-4',5,7-trihydroxyflavone; 2''-O-?-D-Xylopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081260	8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 6''-O-Apiosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081261	Afzelin; 7-O-?-L-Arabinopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081262	Afzelin; O''-?-D-Xylopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081263	Cerarvensin; 7-O-?-D-Glucopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081264	Corymboside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081265	Cosmosiin; 2''-?-D-Apiofuranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081266	Cosmosiin; 2''-O-?-D-Xylopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081267	Cosmosiin; 6''-O-?-D-Apiofuranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081268	Cosmosiin; 6''-O-?-D-Xylopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081269	Cosmosiin; 6''-O-?-L-Arabinofuranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081270	Cosmosiin; 6''-O-?-L-Arabinopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081271	Cosmosiin; O''-?-L-Arabinopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081272	Isomollupentin; 2''-O-?-D-Glucopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081273	Isomollupentin; 4'-O-?-D-Glucopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081274	Isomollupentin; 7-O-?-D-Glucopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081275	Isoschaftoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081276	Isovitexin; 2''-O-?-D-Xylopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081277	Isovitexin; 2''-O-?-L-Arabinopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081278	Isovitexin; 4'-O-Arabinoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081279	Isovitexin; 6''-O-Arabinosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081280	Isovitexin; 7-O-Xyloside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081281	Neocorymboside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081282	Neoisoschaftoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081283	Schaftoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081284	Vicenin 1 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081285	Vitexin; 2''-O-?-D-Xylopyranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081286	Vitexin; 2''-O-?-D-Arabinofuranosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081287	Vitexin; 4'-O-D-Xyloside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081288	Vitexin; 6''-O-Xylosyl 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081289	?-Rhamnoisorobin; 3-O-?-D-Xylopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081290	?-Rhamnoisorobin; 3-O-?-L-Arabinofuranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081291	?-Rhamnoisorobin; 3-O-?-L-Arabinopyranoside 	C26H28O14	564.147905	NA	MeJP	NA	NA
+MJ081292	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C26H29O14(+)	564.147905	NA	MeJP	NA	NA
+MJ081293	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C26H29O14(+)	564.147905	NA	MeJP	NA	NA
+MJ081294	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H29O14(+)	564.147905	NA	MeJP	NA	NA
+MJ081295	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-galactoside] 	C26H29O14(+)	564.147905	NA	MeJP	NA	NA
+MJ081296	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[Xylosyl-(??)-?-D-glucopyranoside] 	C26H29O14(+)	564.147905	NA	MeJP	NA	NA
+MetaCyc03865	7-O-(&beta;-D-apiofuranosyl-(1-2)-&beta;-D-glucosyl)-apigenin [apiin;apioside;7-[(2-O-D-apio-&beta;-D-furanosyl-&beta;-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one;7-O-(&beta;-D-apiofuranosyl-(1-2)-&beta;-D-glucosyl)-5,7,4'-trihydroxyflavone;]	C26H28O14	564.147906	26544-34-3	metacyc	NA	NA
+MetaCyc03866	homoferreirin-7-O-glucoside-6''-malonate []	C26H28O14	564.147906	NA	metacyc	NA	NA
+MJ081297	Aloin, 6'-O-(p-Hydroxycinnamoyl) 	C30H28O11	564.163161	NA	MeJP	NA	NA
+MJ081298	Aloin, 6'-(p-Hydroxycinnamoyl) 	C30H28O11	564.163161	NA	MeJP	NA	NA
+MJ081299	Rhododactynaphin jc-2 	C30H28O11	564.163161	NA	MeJP	NA	NA
+MJ081300	Xanthodactynaphin jc-1; 3-Deoxy 	C30H28O11	564.163161	NA	MeJP	NA	NA
+MetaCyc03867	protoaphin aglucone []	C30H28O11	564.163162	NA	metacyc	NA	NA
+C02879	Protoaphin aglucone	C30H28O11	564.1632	NA	KEGG	NA	NA
+PJ005641	SNDDD 	C19H28N6O14	564.1664	NA	PeJP	NA	NA
+PJ005642	PCCNE 	C20H32N6O9S2	564.1672	NA	PeJP	NA	NA
+PJ005643	GGPCCE 	C20H32N6O9S2	564.1673	NA	PeJP	NA	NA
+MJ081301	5,6,6a,14a-Tetrahydro-5,6-dihydroxy-3,10-bis(2-phenylethyl)-1H,12H-[1]benzopyrano[7,6-b]pyrano[3,2-f][1,4]benzodioxin-1,12-dione 	C34H28O8	564.178417	NA	MeJP	NA	NA
+MJ081302	Kuwanol A 	C34H28O8	564.178417	NA	MeJP	NA	NA
+PJ005644	GPCCW 	C24H32N6O6S2	564.1825	NA	PeJP	NA	NA
+FL1C1AGS0006	Isoliquiritigenin 2'-glucosyl-(1->4)-rhamnoside	C27H32O13	564.18429	78795-34-3	knapsack	NA	NA
+FL2FA9GS0001	Pinocembrin 7-rhamnosylglucoside;Pinocembrin 7-O-neohesperidoside	C27H32O13	564.18429	13241-31-1	knapsack	NA	NA
+FL2FDAGS0001	Naringenin 5,7-dimethyl ether 4'-O-xylosyl-(1->4)-arabinoside	C27H32O13	564.18429	73485-86-6	knapsack	NA	NA
+MJ081303	1,8-Dihydroxy-3-methyl-9(10H)-anthracenone; O-Diglucoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081304	10-Hydroxyoleoside, 10-Cinnamoyl(E-), di-Me ester 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081305	2',4',6'-Trihydroxyacetophenone; 2'-O-(3-Hydroxy-3-methylbutanoyl), 4'-O-[4-hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081306	2',4,4'-Trihydroxychalcone; 2'-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081307	2',4,4'-Trihydroxychalcone; 4-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081308	2,4,7-Phenanthrenetriol; 4-Me ether, 2,7-di-O-?-D-glucopyranoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081309	4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-O-[?-D-xylopyranosyl-?-D-arabinopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081310	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081311	4',7-Dihydroxyflavanone, 4'-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081312	5,7-Dihydroxyflavanone, 7-O-Rutinoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081313	5,7-Dihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081314	Aloin, 1''-Deoxy, 8-O-?-D-glucopyranoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081315	Aloin, 1''-O-?-L-Rhamnopyranoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081316	Aloin, 1''-Deoxy, 8-O-?-D-glucopyranoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081317	Aloin, 1''-O-?-L-Rhamnopyranoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081318	Cytifoliol; Glycoside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081319	Cytifolioside 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081320	Geniposidic acid; 10-(3,4-Dimethoxycinnamoyl)(E-) 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081321	Scandoside; 6-O-(4-Methoxycinnamoyl)(E-), Me ester 	C27H32O13	564.184291	NA	MeJP	NA	NA
+MJ081322	Scandoside; 6-O-(4-Methoxycinnamoyl)(Z-), Me ester 	C27H32O13	564.184291	NA	MeJP	NA	NA
+C09828	Pinocembrin 7-rhamnosylglucoside	C27H32O13	564.1843	NA	KEGG	NA	NA
+C16800	Cascaroside D	C27H32O13	564.1843	NA	KEGG	NA	NA
+C16801	Cascaroside C	C27H32O13	564.1843	NA	KEGG	NA	NA
+C17779	Aloinoside A	C27H32O13	564.1843	NA	KEGG	NA	NA
+C17780	Aloinoside B	C27H32O13	564.1843	NA	KEGG	NA	NA
+PJ005645	GNDEM 	C20H32N6O11S	564.185	NA	PeJP	NA	NA
+PJ005646	GCDDR 	C19H32N8O10S	564.1962	NA	PeJP	NA	NA
+PJ005647	GGGGGGTC 	C19H32N8O10S	564.1963	NA	PeJP	NA	NA
+MJ081323	Quanolirone I; 4''-Deglycosyl 	C31H32O10	564.199547	NA	MeJP	NA	NA
+PJ005648	NDMW 	C24H32N6O8S	564.2003	NA	PeJP	NA	NA
+PJ005649	SSNEE 	C20H32N6O13	564.2028	NA	PeJP	NA	NA
+PJ005650	SPCQM 	C21H36N6O8S2	564.2036	NA	PeJP	NA	NA
+C03281	Kanamycin A 3'-phosphate	C18H37N4O14P	564.2044	NA	KEGG	NA	NA
+C03282	Killer toxin precursor	C18H37N4O14P	564.2044	NA	KEGG	NA	NA
+MJ081324	?-D-Glucopyranosyl-(1?2)-[?-D-apiofuranosyl(1?6)]-D-glucose; ?-D-Pyranose-form, Benzyl glycoside 	C24H36O15	564.20542	NA	MeJP	NA	NA
+MJ081325	Benzyl alcohol; O-[?-D-Apiofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C24H36O15	564.20542	NA	MeJP	NA	NA
+MJ081326	Renieramycin A; 1-Oxo, 3-deoxy 	C30H32N2O9	564.21078	NA	MeJP	NA	NA
+PJ005651	GSSSNN 	C19H32N8O12	564.214	NA	PeJP	NA	NA
+PJ005652	SPCCR 	C20H36N8O7S2	564.2149	NA	PeJP	NA	NA
+PJ005653	ACWW 	C28H32N6O5S	564.2155	NA	PeJP	NA	NA
+PJ005654	GSSEW 	C24H32N6O10	564.218	NA	PeJP	NA	NA
+PJ005655	MMHF 	C25H36N6O5S2	564.2189	NA	PeJP	NA	NA
+MJ081327	1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene, 3,4'-Di-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081328	2,3-Epoxy-8,9-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3S-Acetoxy-2R-hydroxy-2-methylbutanoyl), 9-(2-methylbutanoyl), Me ester 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081329	3,3',4,4',5'-Pentahydroxylignan-9,9'-olide, 3,3',4',5'-Tetra-Me ether, 4-O-?-D-glucopyranoside 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081330	8,17-Epoxy-2,3,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,3,9,12-Tetra-Ac 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081331	8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 2,3,9,14-Tetra-Ac 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081332	8,17-Epoxy-2,3,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, tetra-Ac 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081333	8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 2,4,9,12-Tetra-Ac 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081334	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,4,9,14-tetra-Ac 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081335	Bruceolide; 15-(4-Hydroxy-3,4-dimethyl-2E-pentenoyl) 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081336	Hydramacroside A 	C28H36O12	564.220676	NA	MeJP	NA	NA
+MJ081337	Woorenogenin; 9-O-?-D-Glucopyranoside 	C28H36O12	564.220676	NA	MeJP	NA	NA
+PJ005656	GTQEM 	C21H36N6O10S	564.2214	NA	PeJP	NA	NA
+PJ005657	GYYY 	C29H32N4O8	564.222	NA	PeJP	NA	NA
+MJ081338	Saframycin A; 25-Alcohol 	C29H32N4O8	564.222014	NA	MeJP	NA	NA
+MJ081339	Maytansinol 	C28H37ClN2O8	564.223843	NA	MeJP	NA	NA
+MJ081340	Apateline; 5'-Hydroxy 	C34H32N2O6	564.226036	NA	MeJP	NA	NA
+MJ081341	Cocsoline, N2'-Oxide(?-) 	C34H32N2O6	564.226036	NA	MeJP	NA	NA
+MJ081342	Cocsulinine; N-De-Me 	C34H32N2O6	564.226036	NA	MeJP	NA	NA
+MJ081343	Kohatine 	C34H32N2O6	564.226036	NA	MeJP	NA	NA
+MJ081344	Pachygonamine 	C34H32N2O6	564.226036	NA	MeJP	NA	NA
+MJ081345	Pangkoramine; 1',2'-Didehydro 	C34H32N2O6	564.226036	NA	MeJP	NA	NA
+MJ081346	Aerobactin 	C22H36N4O13	564.227887	NA	MeJP	NA	NA
+MetaCyc03868	aerobactin [aerobactin minus Fe3;]	C22H36N4O13	564.227887	NA	metacyc	NA	NA
+C05554	Aerobactin	C22H36N4O13	564.2279	NA	KEGG	NA	NA
+C05555	Aminoadip.	C22H36N4O13	564.2279	NA	KEGG	NA	NA
+HMDB04051	Aerobactin	C22H36N4O13	564.227905	NA	HMDB2010	NA	NA
+HMDB04051	Aerobactin	C22H36N4O13	564.22791	http://www.hmdb.ca/metabolites/HMDB04051	HMDB	NA	NA
+HMDB04051	Aerobactin	C22H36N4O13	564.22791	HMDB04051	PFEM_hmdb_metabocards_official	NA	NA
+PJ005658	GNNNF 	C23H32N8O9	564.2292	NA	PeJP	NA	NA
+PJ005659	GGGNNF 	C23H32N8O9	564.2293	NA	PeJP	NA	NA
+PJ005660	GSDMR 	C20H36N8O9S	564.2326	NA	PeJP	NA	NA
+PJ005661	SSWW 	C28H32N6O7	564.2333	NA	PeJP	NA	NA
+PJ005662	TQMW 	C25H36N6O7S	564.2366	NA	PeJP	NA	NA
+PJ005663	GGGPMF 	C25H36N6O7S	564.2367	NA	PeJP	NA	NA
+PJ005664	SSDKE 	C21H36N6O12	564.2391	NA	PeJP	NA	NA
+PJ005665	GVQMM 	C22H40N6O7S2	564.24	NA	PeJP	NA	NA
+PJ005666	GSQHH 	C22H32N10O8	564.2405	NA	PeJP	NA	NA
+MJ081347	9,13-Dihydroxy-4-megastigmen-3-one; 13-Carboxylic acid, 9-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H40O14	564.241805	NA	MeJP	NA	NA
+MJ081348	Raunescine 	C31H36N2O8	564.247166	NA	MeJP	NA	NA
+PJ005667	TCRW 	C24H36N8O6S	564.2479	NA	PeJP	NA	NA
+PJ005668	SSSER 	C20H36N8O11	564.2504	NA	PeJP	NA	NA
+MJ081349	Magnolignan F 	C36H36O6	564.251188	NA	MeJP	NA	NA
+MJ081350	?-Diohobanin 	C36H36O6	564.251188	NA	MeJP	NA	NA
+PJ005669	QMMR 	C21H40N8O6S2	564.2512	NA	PeJP	NA	NA
+PJ005670	GAMMR 	C21H40N8O6S2	564.2513	NA	PeJP	NA	NA
+PJ005671	GTTTW 	C25H36N6O9	564.2544	NA	PeJP	NA	NA
+MJ081351	11(15?1)-Abeo-11-taxene-2,4,5,7,9,10,13,15,20-nonol, 2-Benzoyl, 20-Ac 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081352	11(15?1)-Abeo-11-taxene-2,4,5,7,9,10,13,15,20-nonol, 20-Benzoyl, 5-Ac 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081353	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 2-O-?-D-Glucopyranoside 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081354	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-?-D-Glucopyranoside 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081355	Neocynaversicoside 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081356	Roridin A; 9?,10?-Epoxy, 16-hydroxy 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081357	Sarmentosigenin E; 3-O-L-Talomethyloside 	C29H40O11	564.257062	NA	MeJP	NA	NA
+MJ081358	Syriobioside 	C29H40O11	564.257062	NA	MeJP	NA	NA
+PJ005672	GTKEM 	C22H40N6O9S	564.2578	NA	PeJP	NA	NA
+PJ005673	CMRR 	C20H40N10O5S2	564.2625	NA	PeJP	NA	NA
+PJ005674	NEFR 	C24H36N8O8	564.2656	NA	PeJP	NA	NA
+PJ005675	GTTMR 	C21H40N8O8S	564.269	NA	PeJP	NA	NA
+MJ081359	Pseudotheonamide D 	C29H36N6O6	564.269632	NA	MeJP	NA	NA
+PJ005676	VNFW 	C29H36N6O6	564.2697	NA	PeJP	NA	NA
+MJ081360	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,10-di-Ac 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081361	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,9-di-Ac 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081362	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 9,10-di-Ac 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081363	Depsidellin A 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081364	Morinol A 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081365	Zuelanin; 2?-Hydroxy, 6?-cinnamoyloxy 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081366	Zuelanin; 2?-Hydroxy, 6?-cinnamoyloxy 	C33H40O8	564.272318	NA	MeJP	NA	NA
+MJ081367	Zuelanin; 6?-Hydroxy, 2?-cinnamoyloxy 	C33H40O8	564.272318	NA	MeJP	NA	NA
+PJ005677	TKMW 	C26H40N6O6S	564.273	NA	PeJP	NA	NA
+PJ005678	STTKE 	C22H40N6O11	564.2755	NA	PeJP	NA	NA
+PJ005679	GVKMM 	C23H44N6O6S2	564.2764	NA	PeJP	NA	NA
+PJ005680	GSKHH 	C23H36N10O7	564.2769	NA	PeJP	NA	NA
+MJ081368	Cholestane-3,21-diol, Disulfate 	C27H48O8S2	564.279059	NA	MeJP	NA	NA
+PJ005681	GFRW 	C28H36N8O5	564.2809	NA	PeJP	NA	NA
+PJ005682	STTTR 	C21H40N8O10	564.2868	NA	PeJP	NA	NA
+PJ005683	KMMR 	C22H44N8O5S2	564.2876	NA	PeJP	NA	NA
+2741	regulating the frequency of heart muscles contraction peptide	KLDAPTNKWG	564.2889	MH2+	Inhouse_peptide	NA	peptide
+PJ005684	GPTKY 	C26H40N6O8	564.2908	NA	PeJP	NA	NA
+C08875	Musaroside	C30H44O10	564.2934	NA	KEGG	NA	NA
+C08884	Vernadigin	C30H44O10	564.2934	NA	KEGG	NA	NA
+MJ081369	18,20-Epoxy-3,5,14-trihydroxy-19-oxo-24-norcholan-23,21-olide, 3-O-?-D-Cymaropyranoside 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081370	2,3,14-Trihydroxy-11-oxo-20(22)-cardenolide, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside] 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081371	2,8,9,13,14-Pentahydroxy-5,11-briaradien-18-7-olide; 2-Hexanoyl, 13,14-di-Ac 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081372	3,12,14-Trihydroxy-11-oxocard-20(22)-enolide, 3-O-D-Digitaloside 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081373	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Diginoside 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081374	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-allopyranoside) 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081375	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081376	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-D-glucopyranoside) 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081377	3,8(17)-Dolabelladiene-2,7,16,18-tetrol, 7-Ketone, 2,18-di-Ac, 16-(3-hydroxy-3-methylglutaryl) 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081378	Cannogeninic acid; 3-O-(6-Deoxy-3-O-methyl-L-glucopyranoside) 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081379	Macrolactin A; 15-O-?-D-Glucopyranoside 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081380	Macrolactin A; 7-O-?-D-Glucopyranoside 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081381	Strophanthidinic acid; 3-O-(2,6-Dideoxy-3-O-methyl-ribo-hexopyranoside) 	C30H44O10	564.293447	NA	MeJP	NA	NA
+MJ081382	Walleside 	C30H44O10	564.293447	NA	MeJP	NA	NA
+PJ005685	TTCLK 	C23H44N6O8S	564.2941	NA	PeJP	NA	NA
+PJ005686	SSLKM 	C23H44N6O8S	564.2942	NA	PeJP	NA	NA
+MJ081383	Asterriquinol D; 1',1''-Bis(1,1-dimethyl-2-propenyl), di-Me ether 	C36H40N2O4	564.298807	NA	MeJP	NA	NA
+PJ005687	VQRY 	C25H40N8O7	564.302	NA	PeJP	NA	NA
+MJ081384	Geldanamycin; 18,21-Hydroquinone 	C29H44N2O9	564.304681	NA	MeJP	NA	NA
+C09050	Bonafousine	C35H40N4O3	564.31	NA	KEGG	NA	NA
+MJ081385	Bonafousine 	C35H40N4O3	564.310041	NA	MeJP	NA	NA
+MJ081386	Isobonafousine 	C35H40N4O3	564.310041	NA	MeJP	NA	NA
+MJ081387	Cycloart-24-ene-3,23,28-triol, 28-Carboxylic acid, 23-ketone, 3-O-sulfate, Me ester 	C31H48O7S	564.312074	NA	MeJP	NA	NA
+PJ005688	SFRR 	C24H40N10O6	564.3132	NA	PeJP	NA	NA
+PJ005689	ARRY 	C24H40N10O6	564.3133	NA	PeJP	NA	NA
+MJ081388	Actinioerythrol; Diketone 	C38H44O4	564.323959	NA	MeJP	NA	NA
+PJ005690	PHRR 	C23H40N12O5	564.3245	NA	PeJP	NA	NA
+PJ005691	AALKY 	C27H44N6O7	564.3272	NA	PeJP	NA	NA
+MJ081389	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-glucopyranoside) 	C31H48O9	564.329833	NA	MeJP	NA	NA
+MJ081390	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-fucopyranoside) 	C31H48O9	564.329833	NA	MeJP	NA	NA
+MJ081391	Cholesta-7,22-diene-2,3,5,6,9,11,19-heptol, 11,19-Di-Ac 	C31H48O9	564.329833	NA	MeJP	NA	NA
+PJ005692	VKRY 	C26H44N8O6	564.3384	NA	PeJP	NA	NA
+MJ081392	Manzamine A, 2-N-Oxide 	C36H44N4O2	564.346426	NA	MeJP	NA	NA
+MJ081393	Manzamine A, 31,34-Epoxide, 32,33-dihydro 	C36H44N4O2	564.346426	NA	MeJP	NA	NA
+MJ081394	Manzamine A, 31-Oxo, 32,33-dihydro 	C36H44N4O2	564.346426	NA	MeJP	NA	NA
+MJ081395	Manzamine A, 6-Hydroxy 	C36H44N4O2	564.346426	NA	MeJP	NA	NA
+MJ081396	Manzamine A, 8-Hydroxy 	C36H44N4O2	564.346426	NA	MeJP	NA	NA
+MJ081397	Manzamine M 	C36H44N4O2	564.346426	NA	MeJP	NA	NA
+MJ081398	11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C28H52O11	564.350962	NA	MeJP	NA	NA
+MJ081399	Valnemulin 	C31H52N2O5S	564.359693	NA	MeJP	NA	NA
+C12066	Valnemulin	C31H52N2O5S	564.3597	NA	KEGG	NA	NA
+MJ081400	Antibiotic AB 023; Antibiotic AB 023B 	C32H52O8	564.366218	NA	MeJP	NA	NA
+MJ081401	Spirostane-2,3-diol, 2-O-?-L-Arabinopyranoside 	C32H52O8	564.366218	NA	MeJP	NA	NA
+MJ081402	3,27-Dihydroxy-12-ursen-28-oic acid, 27-O-(4-Hydroxyphenyl) 	C36H52O5	564.381474	NA	MeJP	NA	NA
+MJ081403	3,28-Dihydroxy-12-ursen-27-oic acid, 28-(4-Hydroxyphenyl) ether 	C36H52O5	564.381474	NA	MeJP	NA	NA
+MJ081404	Semperviraminol 	C35H52N2O4	564.392708	NA	MeJP	NA	NA
+C08583	Canthaxanthin	C40H52O2	564.3967	NA	KEGG	NA	NA
+HMDB02193	E,e-Carotene-3,3'-dione	C40H52O2	564.396729	NA	HMDB2010	NA	NA
+HMDB03154	Canthaxanthin	C40H52O2	564.396729	NA	HMDB2010	NA	NA
+HMDB03154	Canthaxanthin	C40H52O2	564.39673	http://www.hmdb.ca/metabolites/HMDB03154	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02193	e,e-Carotene-3,3'-dione	C40H52O2	564.39673	http://www.hmdb.ca/metabolites/HMDB02193	HMDB	NA	NA
+HMDB03154	Canthaxanthin	C40H52O2	564.39673	http://www.hmdb.ca/metabolites/HMDB03154	HMDB	NA	NA
+MJ081405	3,4-Didehydro-?,?-caroten-2-one; 2'-Hydroxy 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081406	3-Hydroxy-2,3-didehydro-?,?-caroten-4-one 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081407	3-Hydroxy-?,?-caroten-4-one; 3',4'-Didehydro 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081408	?,?-Carotene-2,2'-dione 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081409	?,?-Carotene-4,4'-dione 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081410	Eschscholtzxanthin; Monoketone 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081411	Isozeaxanthin; Diketone 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081412	Pectenoxanthin 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081413	Torularhodin 	C40H52O2	564.39673	NA	MeJP	NA	NA
+MJ081414	?,?-Carotene-3,3'-dione 	C40H52O2	564.39673	NA	MeJP	NA	NA
+HMDB03154	Canthaxanthin	C40H52O2	564.39673	http://www.hmdb.ca/metabolites/HMDB03154	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02193	e,e-Carotene-3,3'-dione	C40H52O2	564.39673	HMDB02193	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03154	Canthaxanthin	C40H52O2	564.39673	HMDB03154	PFEM_hmdb_metabocards_official	NA	NA
+MJ081415	Secamine; 15,15',20,20'-Tetrahydro, bis(demethoxycarbonyl) 	C38H52N4	564.419197	NA	MeJP	NA	NA
+HMDB11661	2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol	C38H60O3	564.454224	NA	HMDB2010	NA	NA
+MJ081416	Annotemoyin 1 	C35H64O5	564.475375	NA	MeJP	NA	NA
+MJ081417	Panatellin 	C35H64O5	564.475375	NA	MeJP	NA	NA
+MJ081418	Solamin 	C35H64O5	564.475375	NA	MeJP	NA	NA
+HMDB05221	DG(16:1(9Z)/16:1(9Z)/0:0)	C35H64O5	564.4754	http://www.hmdb.ca/metabolites/HMDB05221	HMDB	NA	NA
+HMDB05221	DG(16:1(9Z)/16:1(9Z)/0:0)	C35H64O5	564.4754	HMDB05221	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07016	DG(14:0/18:2(9Z,12Z)/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+HMDB07043	DG(14:1(9Z)/18:1(11Z)/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+HMDB07044	DG(14:1(9Z)/18:1(9Z)/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+HMDB07128	DG(16:1(9Z)/16:1(9Z)/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+HMDB07183	DG(18:1(11Z)/14:1(9Z)/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+HMDB07212	DG(18:1(9Z)/14:1(9Z)/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+HMDB07240	DG(18:2(9Z,12Z)/14:0/0:0)	C35H64O5	564.475403	NA	HMDB2010	NA	NA
+MJ081419	34-Phenyl-5,32-tetratriacontadienal 	C40H68O	564.527016	NA	MeJP	NA	NA
+MJ081420	2,4,6,8-Tetramethyltetratriacontanoic acid 	C38H76O2	564.584531	NA	MeJP	NA	NA
+MJ081421	34-Hydroxy-8-methyl-5-heptatriacontanone 	C38H76O2	564.584531	NA	MeJP	NA	NA
+MJ081422	Nortopsentin D 	C23H17Br2N7O	564.986133	NA	MeJP	NA	NA
+HMDB03369	CDP-glucose	C15H25N3O16P2	565.070984	NA	HMDB2010	NA	NA
+C00501	CDP-glucose	C15H25N3O16P2	565.071	NA	KEGG	NA	NA
+C02200	UDP-glucosamine	C15H25N3O16P2	565.071	NA	KEGG	NA	NA
+C02467	UDP-galactosamine	C15H25N3O16P2	565.071	NA	KEGG	NA	NA
+C12211	UDP-kanosamine	C15H25N3O16P2	565.071	NA	KEGG	NA	NA
+MJ081423	CDPglucose 	C15H25N3O16P2	565.071004	NA	MeJP	NA	NA
+MetaCyc03869	CDP-D-glucose [CDP-glc;CDP-glucose;]	C15H25N3O16P2	565.071005	NA	metacyc	NA	NA
+C11583	4-Glutathionyl cyclophosphamide	C17H30Cl2N5O8PS	565.093	NA	KEGG	NA	NA
+MJ081424	4,14-Dihydroxyoctadecanoic acid; 14-O-Diglucoside, Et ester 	C32H21O10	565.113471	NA	MeJP	NA	NA
+C13524	Prochlorperazine mesylate	C20H24ClN3S	565.1142	NA	KEGG	NA	NA
+C13525	Transferred to D02023	C20H24ClN3S	565.1142	NA	KEGG	NA	NA
+FL7AACGL0027	Cyanidin 3-(6''-malylglucoside)	C25H25O15	565.11934	104934-16-9	knapsack	NA	NA
+FL7AAHGL0010	Petunidin 3-(6''-malonylglucoside)	C25H25O15	565.11934	122856-10-4	knapsack	NA	NA
+C06779	11-O-Demethyl-7-methoxypradimicinone II	C28H23NO12	565.122	NA	KEGG	NA	NA
+C06780	Pradimicinone II	C28H23NO12	565.122	NA	KEGG	NA	NA
+MJ081425	Benanomicin A; Aglycone, 7-hydroxy 	C28H23NO12	565.122025	NA	MeJP	NA	NA
+MJ081426	Scriptene 	C20H24N9O9P	565.143459	NA	MeJP	NA	NA
+PJ005693	TCCCH 	C19H31N7O7S3	565.1447	NA	PeJP	NA	NA
+PJ005694	SDDDD 	C19H27N5O15	565.1504	NA	PeJP	NA	NA
+PJ005695	PCCDE 	C20H31N5O10S2	565.1513	NA	PeJP	NA	NA
+FL7AAAGA0002	Pelargonidin 3-lathyroside	C26H29O14	565.15573	345306-89-0	knapsack	NA	NA
+FL7AAAGL0003	Pelargonidin 3-sambubioside	C26H29O14	565.15573	-	knapsack	NA	NA
+C07029	N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate	C22H28N7O9P	565.1686	NA	KEGG	NA	NA
+MJ081427	N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate 	C22H28N7O9P	565.168612	NA	MeJP	NA	NA
+PJ005696	GDDEM 	C20H31N5O12S	565.169	NA	PeJP	NA	NA
+MJ081428	Carbonarin C 	C33H27NO8	565.173666	NA	MeJP	NA	NA
+MJ081429	Carbonarin D 	C33H27NO8	565.173666	NA	MeJP	NA	NA
+PJ005697	GCCHF 	C23H31N7O6S2	565.1777	NA	PeJP	NA	NA
+PJ005698	SCNNE 	C19H31N7O11S	565.1802	NA	PeJP	NA	NA
+PJ005699	GGSCNE 	C19H31N7O11S	565.1803	NA	PeJP	NA	NA
+PJ005700	DDMW 	C24H31N5O9S	565.1843	NA	PeJP	NA	NA
+PJ005701	SSDEE 	C20H31N5O14	565.1868	NA	PeJP	NA	NA
+PJ005702	SPCEM 	C21H35N5O9S2	565.1876	NA	PeJP	NA	NA
+MJ081430	Antibiotic A 51493A 	C30H31NO10	565.194796	NA	MeJP	NA	NA
+MJ081431	Viridicatumtoxin 	C30H31NO10	565.194796	NA	MeJP	NA	NA
+PJ005703	GSCNW 	C23H31N7O8S	565.1955	NA	PeJP	NA	NA
+PJ005704	GSSSND 	C19H31N7O13	565.198	NA	PeJP	NA	NA
+PJ005705	GNNMM 	C20H35N7O8S2	565.1989	NA	PeJP	NA	NA
+PJ005706	GPDDY 	C24H31N5O11	565.202	NA	PeJP	NA	NA
+MJ081432	Aureonuclemycin; O9-Me, O4-(2-hydroxymethyl-2E-pentenoyl), Me ester 	C24H31N5O11	565.202006	NA	MeJP	NA	NA
+PJ005707	PPCCF 	C25H35N5O6S2	565.2029	NA	PeJP	NA	NA
+PJ005708	GTEEM 	C21H35N5O11S	565.2054	NA	PeJP	NA	NA
+PJ005709	GPMMM 	C22H39N5O6S3	565.2063	NA	PeJP	NA	NA
+MJ081433	Dioxinoacrimarine A 	C34H31NO7	565.210052	NA	MeJP	NA	NA
+PJ005710	GCCQR 	C19H35N9O7S2	565.2101	NA	PeJP	NA	NA
+PJ005711	GNNDF 	C23H31N7O10	565.2133	NA	PeJP	NA	NA
+C09464	Ipecoside	C27H35NO12	565.2159	NA	KEGG	NA	NA
+MJ081434	Ipecosidic acid; Me ester 	C27H35NO12	565.215925	NA	MeJP	NA	NA
+MJ081435	Neoipecoside 	C27H35NO12	565.215925	NA	MeJP	NA	NA
+PJ005712	SSNQM 	C20H35N7O10S	565.2166	NA	PeJP	NA	NA
+PJ005713	TEMW 	C25H35N5O8S	565.2207	NA	PeJP	NA	NA
+PJ005714	TTTDE 	C21H35N5O13	565.2231	NA	PeJP	NA	NA
+PJ005715	STTEE 	C21H35N5O13	565.2232	NA	PeJP	NA	NA
+PJ005716	GVEMM 	C22H39N5O8S2	565.224	NA	PeJP	NA	NA
+MJ081436	Cicortonide 	C29H37ClFNO7	565.224258	NA	MeJP	NA	NA
+PJ005717	GSEHH 	C22H31N9O9	565.2245	NA	PeJP	NA	NA
+PJ005718	SSCNR 	C19H35N9O9S	565.2279	NA	PeJP	NA	NA
+MJ081437	Ravidomycin; 1'',2''-Dihydro 	C31H35NO9	565.231181	NA	MeJP	NA	NA
+PJ005719	GSSSTQ 	C20H35N7O12	565.2344	NA	PeJP	NA	NA
+PJ005720	EMMR 	C21H39N7O7S2	565.2353	NA	PeJP	NA	NA
+PJ005721	GPTEY 	C25H35N5O10	565.2384	NA	PeJP	NA	NA
+PJ005722	VMMW 	C26H39N5O5S2	565.2393	NA	PeJP	NA	NA
+PJ005723	SHHW 	C26H31N9O6	565.2398	NA	PeJP	NA	NA
+3082	hemorphin-4	YPWT	565.241	celiac toxic	Inhouse_peptide	NA	peptide
+PJ005724	SSLEM 	C22H39N5O10S	565.2418	NA	PeJP	NA	NA
+PJ005725	AAMHH 	C23H35N9O6S	565.2431	NA	PeJP	NA	NA
+PJ005726	GCCKR 	C20H39N9O6S2	565.2465	NA	PeJP	NA	NA
+2714	erythromycin inhibitor	MSMVV	565.2488	NA	Inhouse_peptide	NA	peptide
+PJ005727	QQQY 	C24H35N7O9	565.2496	NA	PeJP	NA	NA
+PJ005728	GGAAQY 	C24H35N7O9	565.2497	NA	PeJP	NA	NA
+7372	celiac sprue gluten epitope found in hordein	PQQQFPQQM	565.2512	MH2+	Inhouse_peptide	NA	peptide
+PJ005729	SSNKM 	C21H39N7O9S	565.253	NA	PeJP	NA	NA
+PJ005730	PTYW 	C29H35N5O7	565.2537	NA	PeJP	NA	NA
+MJ081438	Geodiamolide L; Chloro analogue 	C28H40ClN3O7	565.255478	NA	MeJP	NA	NA
+PJ005731	GPVMY 	C26H39N5O7S	565.257	NA	PeJP	NA	NA
+PJ005732	ATLMM 	C23H43N5O7S2	565.2604	NA	PeJP	NA	NA
+PJ005733	NNRY 	C23H35N9O8	565.2609	NA	PeJP	NA	NA
+MJ081439	Himandridine; O13-Ac 	C32H39NO8	565.267567	NA	MeJP	NA	NA
+MJ081440	Himandridine; O20-Ac 	C32H39NO8	565.267567	NA	MeJP	NA	NA
+PJ005734	PMRY 	C25H39N7O6S	565.2683	NA	PeJP	NA	NA
+C15719	Coelichelin	C21H39N7O11	565.2708	NA	KEGG	NA	NA
+PJ005735	GSSSTK 	C21H39N7O11	565.2708	NA	PeJP	NA	NA
+PJ005736	GCKKM 	C22H43N7O6S2	565.2716	NA	PeJP	NA	NA
+PJ005737	AALEY 	C26H39N5O9	565.2748	NA	PeJP	NA	NA
+PJ005738	TTTLM 	C23H43N5O9S	565.2782	NA	PeJP	NA	NA
+PJ005739	VERY 	C25H39N7O8	565.286	NA	PeJP	NA	NA
+PJ005740	STCKK 	C22H43N7O8S	565.2894	NA	PeJP	NA	NA
+PJ005741	TLFW 	C30H39N5O6	565.29	NA	PeJP	NA	NA
+PJ005742	VVYW 	C30H39N5O6	565.2901	NA	PeJP	NA	NA
+PJ005743	GVLMF 	C27H43N5O6S	565.2934	NA	PeJP	NA	NA
+MJ081441	Rodaplutin 	C24H39N9O7	565.297244	NA	MeJP	NA	NA
+PJ005744	GPQKH 	C24H39N9O7	565.2973	NA	PeJP	NA	NA
+PJ005745	PFFR 	C29H39N7O5	565.3013	NA	PeJP	NA	NA
+PJ005746	LMFR 	C26H43N7O5S	565.3047	NA	PeJP	NA	NA
+PJ005747	GTLLY 	C27H43N5O8	565.3112	NA	PeJP	NA	NA
+EUR680	Lyso PC 20:4 [M+Na]+	C28H50NO7P	565.314438	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR680	Lyso PC 20:4 [M+Na]+	C28H50NO7P	565.314438	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR680	Lyso PC 20:4 [M+Na]+	C28H50NO7P	565.314438	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR680	Lyso PC 20:4 [M+Na]+	C28H50NO7P	565.314438	masses lipides attendues	Inhousejuil11	NA	NA
+MJ081442	Antibiotic FR 900848 	C32H43N3O6	565.315186	NA	MeJP	NA	NA
+PJ005748	QKKY 	C26H43N7O7	565.3224	NA	PeJP	NA	NA
+PJ005749	GPKKH 	C25H43N9O6	565.3337	NA	PeJP	NA	NA
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR574	LysoPC(18:2)	[M+FA-H]-	565.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR662	Lyso PC 18:2 [M+FA-H]-	C26H50NO7P	565.337372	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR662	Lyso PC 18:2 [M+FA-H]-	C26H50NO7P	565.337372	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR662	Lyso PC 18:2 [M+FA-H]-	C26H50NO7P	565.337372	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR662	Lyso PC 18:2 [M+FA-H]-	C26H50NO7P	565.337372	masses lipides attendues	Inhousejuil11	NA	NA
+EUR718	LysoPE(20:2) [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR873	Lyso PE 20:2 [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR718	LysoPE(20:2) [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR873	Lyso PE 20:2 [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR718	LysoPE(20:2) [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR873	Lyso PE 20:2 [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR718	LysoPE(20:2) [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	Inhousejuil11	NA	NA
+EUR873	Lyso PE 20:2 [M-H+acetate]-	C25H48NO7P	565.337942	masses lipides attendues	Inhousejuil11	NA	NA
+MJ081443	Strychnophylline 	C35H43N5O2	565.341675	NA	MeJP	NA	NA
+MJ081444	Destruxin A3 	C28H47N5O7	565.347548	NA	MeJP	NA	NA
+MJ081445	Destruxin B; Destruxin B, NVal,NAla-Di-de-Me 	C28H47N5O7	565.347548	NA	MeJP	NA	NA
+MJ081446	Destruxin B; Destruxin B2, NVal-De-Me 	C28H47N5O7	565.347548	NA	MeJP	NA	NA
+MJ081447	Nephila clavata Neurotoxin 3 JSTX-3 	C27H47N7O6	565.358782	NA	MeJP	NA	NA
+C13931	JSTX-3	C27H47N7O6	565.3588	NA	KEGG	NA	NA
+PJ005750	KKKY 	C27H47N7O6	565.3588	NA	PeJP	NA	NA
+MJ081448	Repromicin 	C31H51NO8	565.361467	NA	MeJP	NA	NA
+MJ081449	Cytosine arabinoside; ?-D-Furanose-form, N-Docosanoyl 	C31H55N3O6	565.409086	NA	MeJP	NA	NA
+EUR771	Lyso PC 22:0 [M-H-CH3]-	C30H62NO7P	565.410742	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR771	Lyso PC 22:0 [M-H-CH3]-	C30H62NO7P	565.410742	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR771	Lyso PC 22:0 [M-H-CH3]-	C30H62NO7P	565.410742	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR771	Lyso PC 22:0 [M-H-CH3]-	C30H62NO7P	565.410742	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11497	LysoPE(0:0/24:0)	C29H60NO7P	565.410767	NA	HMDB2010	NA	NA
+HMDB11527	LysoPE(24:0/0:0)	C29H60NO7P	565.410767	NA	HMDB2010	NA	NA
+MJ081450	5-(2,3-Epoxy-3-methylbutyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]-1H-indole, 5'-(9,12-Octadecadienoyl)(Z,Z-) 	C36H55NO4	565.413109	NA	MeJP	NA	NA
+MJ081451	Heinsiagenin A 	C36H55NO4	565.413109	NA	MeJP	NA	NA
+MJ081452	Heinsiagenin B 	C36H55NO4	565.413109	NA	MeJP	NA	NA
+MJ081453	Viscumamide 	C30H55N5O5	565.420319	NA	MeJP	NA	NA
+MJ081454	N-[15-Methyl-3-(13-methyl-4-tetradecenoyloxy)hexadecanoyl]glycine 	C34H63NO5	565.470624	NA	MeJP	NA	NA
+MJ081455	2-Amino-4-octadecene-1,3-diol, N-Octadecanoyl 	C36H71NO3	565.543395	NA	MeJP	NA	NA
+HMDB00829	N-Stearoylsphingosine	C36H71NO3	565.543396	NA	HMDB2010	NA	NA
+HMDB04950	Ceramide (d18:1/18:0)	C36H71NO3	565.543396	NA	HMDB2010	NA	NA
+HMDB11762	Cer(d18:0/18:1(11Z))	C36H71NO3	565.543396	NA	HMDB2010	NA	NA
+HMDB11763	Cer(d18:0/18:1(9Z))	C36H71NO3	565.543396	NA	HMDB2010	NA	NA
+HMDB00829	N-Stearoylsphingosine	C36H71NO3	565.5434	http://www.hmdb.ca/metabolites/HMDB00829	HMDB	NA	NA
+HMDB04950	Ceramide (d18:1/18:0)	C36H71NO3	565.5434	http://www.hmdb.ca/metabolites/HMDB04950	HMDB	NA	NA
+HMDB00829	N-Stearoylsphingosine	C36H71NO3	565.5434	HMDB00829	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04950	Ceramide (d18:1/18:0)	C36H71NO3	565.5434	HMDB04950	PFEM_hmdb_metabocards_official	NA	NA
+7383	celiac sprue gluten epitope found in hordein	QQPFPQQPY	565.7595	MH2+	Inhouse_peptide	NA	peptide
+7409	celiac sprue gluten epitope found in secalin	QQPYPQQPF	565.7595	MH2+	Inhouse_peptide	NA	peptide
+MJ081456	Brovanexine 	C24H28Br2N2O4	566.041582	NA	MeJP	NA	NA
+MJ081457	N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide 	C24H28Br2N2O4	566.041582	NA	MeJP	NA	NA
+HMDB00286	Uridine diphosphate glucose	C15H24N2O17P2	566.05499	http://www.hmdb.ca/metabolites/HMDB00286	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00286	Uridine diphosphate glucose	C15H24N2O17P2	566.05499	http://www.hmdb.ca/metabolites/HMDB00286	HMDB	NA	NA
+HMDB00302	Uridine diphosphategalactose	C15H24N2O17P2	566.05499	http://www.hmdb.ca/metabolites/HMDB00302	HMDB	NA	NA
+HMDB00286	Uridine diphosphate glucose	C15H24N2O17P2	566.05499	http://www.hmdb.ca/metabolites/HMDB00286	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00286	Uridine diphosphate glucose	C15H24N2O17P2	566.05499	HMDB00286	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00302	Uridine diphosphategalactose	C15H24N2O17P2	566.05499	HMDB00302	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00286	Uridine diphosphate glucose	C15H24N2O17P2	566.054993	NA	HMDB2010	NA	NA
+HMDB00302	Uridine diphosphategalactose	C15H24N2O17P2	566.054993	NA	HMDB2010	NA	NA
+C00029	UDP-glucose	C15H24N2O17P2	566.055	NA	KEGG	NA	NA
+C00030	Reduced acceptor	C15H24N2O17P2	566.055	NA	KEGG	NA	NA
+C00052	UDP-D-galactose	C15H24N2O17P2	566.055	NA	KEGG	NA	NA
+C03733	UDP-alpha-D-galacto-1,4-furanose	C15H24N2O17P2	566.055	NA	KEGG	NA	NA
+MJ081458	Uridine diphosphate glucose 	C15H24N2O17P2	566.05502	NA	MeJP	NA	NA
+MJ081459	UDP-D-galactose 	C15H24N2O17P2	566.05502	NA	MeJP	NA	NA
+MJ081460	UDPglucose 	C15H24N2O17P2	566.05502	NA	MeJP	NA	NA
+MetaCyc03870	UDP-galactose [UDP-D-galactopyranose;UDP-D-galactose;uridine diphosphate galactose;]	C15H24N2O17P2	566.05502	2956-16-3	metacyc	NA	NA
+MetaCyc03871	UDP-D-galacto-1,4-furanose [UDP-galactofuranose;]	C15H24N2O17P2	566.05502	638-23-3	metacyc	NA	NA
+MetaCyc03872	UDP-D-glucose [UDPG;UDP-glucose;]	C15H24N2O17P2	566.05502	133-89-1	metacyc	NA	NA
+MJ081461	Quinuronium(2+); Di(methylsulfate) 	C23H26N4O9S2	566.114119	NA	MeJP	NA	NA
+MJ081462	1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-2,2'-bianthraquinone 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081463	4',4''',5,5'',7,7''-Hexahydroxy-6,6''-biflavone; 7,7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081464	6-C-Methylamentoflavone; 7-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081465	8,8-Bi(4',5,7-trihydroxyflavone); 4',4'''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081466	8,8-Bi(4',5,7-trihydroxyflavone); 7,7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081467	Agathisflavone; 4',7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081468	Agathisflavone; 7,7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081469	Amentoflavone; 4''',7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081470	Amentoflavone; 4''',7-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081471	Amentoflavone; 4',4'''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081472	Amentoflavone; 4',7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081473	Amentoflavone; 4',7-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081474	Amentoflavone; 7,7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081475	Floribundone 2; 10-Oxo 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081476	Hinokiflavone; 4''',7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081477	Hinokiflavone; 7,7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081478	Isosengulone 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081479	Ochnaflavone; 4',7-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081480	Robustaflavone; 4''',7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081481	Robustaflavone; 4''',7-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081482	Robustaflavone; 7,7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081483	Sengulone 	C32H22O10	566.121296	NA	MeJP	NA	NA
+MJ081484	Taiwaniaflavone; 4',7''-Di-Me ether 	C32H22O10	566.121296	NA	MeJP	NA	NA
+C10048	Ginkgetin	C32H22O10	566.1213	NA	KEGG	NA	NA
+MJ081485	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081486	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-xylopyranoside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081487	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-?-L-arabinopyranoside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081488	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081489	3,3',4',5,7-Pentahydroxyflavone; 3-O-[Arabinosyl-(1??)-D-xyloside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081490	3,3',4',5,7-Pentahydroxyflavone; 3-O-[Arabinosyl-(1??)-arabinoside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081491	3,3',4',5,7-Pentahydroxyflavone; 3-O-[Xylosyl-(1??)-xyloside] 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081492	3,4',5,7,8-Pentahydroxyflavone; 4',8-Di-O-?-D-xylopyranoside 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081493	3,4',5,7,8-Pentahydroxyflavone; 4'-O-?-D-Xylopyranoside, 8-O-?-L-arabinopyranoside 	C25H26O15	566.12717	NA	MeJP	NA	NA
+MJ081494	6,8-Diarabinopyranosyl-3',4',5,5',7-pentahydroxyflavone 	C25H26O15	566.12717	NA	MeJP	NA	NA
+FL3FAGCS0006	6,8-Di-C-arabinopyranosyltricetin	C25H26O15	566.12717	152128-81-9	knapsack	NA	NA
+FL3FECGS0043	6-Hydroxyluteolin 7-xylosyl-(1->2)-xyloside;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-[(2-O-beta-D-xylopyranosyl-beta-D-xylopyranosyl)oxy]-4H-1-benzopyran-4-one	C25H26O15	566.12717	259257-39-1	knapsack	NA	NA
+FL5FACGS0020	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside	C25H26O15	566.12717	99816-60-1	knapsack	NA	NA
+FL5FACGS0021	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside	C25H26O15	566.12717	112693-20-6	knapsack	NA	NA
+FL5FACGS0023	Quercetin 3-apiosyl-(1->2)-xyloside	C25H26O15	566.12717	99883-41-7	knapsack	NA	NA
+FL5FFAGS0015	Herbacetin 8-alpha-L-arabinopyranoside-4'-xyloside	C25H26O15	566.12717	72055-94-8	knapsack	NA	NA
+FL5FFAGS0016	Herbacetin 8,4'-dixyloside	C25H26O15	566.12717	90193-30-9	knapsack	NA	NA
+FL2FAAGC0001	Poriolide	C29H26O12	566.14242	39262-30-1	knapsack	NA	NA
+FL2FAAGC0002	Isoporiolide	C29H26O12	566.14242	39262-31-2	knapsack	NA	NA
+MJ081495	Poriolide 	C29H26O12	566.142426	NA	MeJP	NA	NA
+MJ081496	?-Rhamnoisorobin; 2''-O-(2-Methoxybenzoyl) 	C29H26O12	566.142426	NA	MeJP	NA	NA
+MJ081497	?-Rhamnoisorobin; 3''-O-(2-Methoxybenzoyl) 	C29H26O12	566.142426	NA	MeJP	NA	NA
+C13725	Patent blue	C27H31N2O6S2	566.1521	NA	KEGG	NA	NA
+C13726	Pentosan sulfate	C27H31N2O6S2	566.1521	NA	KEGG	NA	NA
+MJ081498	Kinamycin F; 3-O-(2-Methylpropanoyl), 1,2,4-tri-Ac 	C28H26N2O11	566.153659	NA	MeJP	NA	NA
+MJ081499	Carbonarin A; 5'-Deoxy 	C33H26O9	566.157682	NA	MeJP	NA	NA
+PJ005751	CCNNN 	C18H30N8O9S2	566.1577	NA	PeJP	NA	NA
+PJ005752	GGGGCCN 	C18H30N8O9S2	566.1578	NA	PeJP	NA	NA
+FL1C1CGS0003	Butein 4'-arabinosyl-(1->4)-galactoside	C26H30O14	566.16355	71926-06-2	knapsack	NA	NA
+FL2FAAGS0015	5,7,4'-Trihydroxyflavanone 7-O-arabinosylglucoside	C26H30O14	566.16355	86828-01-5	knapsack	NA	NA
+FL2FAAGS0018	5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside	C26H30O14	566.16355	74545-39-4	knapsack	NA	NA
+FL2FBCGS0001	Eriodictyol 5-methyl ether 7-O-xylosyl-(1->4)-arabinoside	C26H30O14	566.16355	81074-96-6	knapsack	NA	NA
+FL5FELGS0002	5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside	C26H30O14	566.16355	71827-13-9	knapsack	NA	NA
+FL5FELGS0003	Chrysosplenoside H;Brickellin 2'-glucoside;5,2'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-4,5-dimethoxyphenyl]-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one	C26H30O14	566.16355	86880-87-7	knapsack	NA	NA
+MJ081500	1,3,5-Trihydroxyxanthone; 3,5-Di-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081501	10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(E-), 7-Me ester 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081502	10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(Z-), 7-Me ester 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081503	2',3,4',5,5',6,7-Heptahydroxyflavone; 2',3,4',6,7-Penta-Me ether, 5'-O-?-D-glucopyranoside 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081504	2',3,4',5,5',6,7-Heptahydroxyflavone; 3,4',5',6,7-Penta-Me ether, 2'-O-?-D-glucopyranoside 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081505	4',5,7-Trihydroxyflavanone, 4'-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081506	4',5,7-Trihydroxyflavanone, 4'-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081507	4',5,7-Trihydroxyflavanone, 4'-O-[?-D-Xylopyranosyl-(1??)-?-D-glucopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081508	4',5,7-Trihydroxyflavanone, 7-O-[-?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081509	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Arabinosyl-(1??)-?-D-glucopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081510	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081511	Asperxanthone; 10-O-De-Me, 10-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081512	Castavinol; 5'-Hydroxy 	C26H30O14	566.163555	NA	MeJP	NA	NA
+MJ081513	Eustomoside; 4'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C26H30O14	566.163555	NA	MeJP	NA	NA
+PJ005753	SCNDE 	C19H30N6O12S	566.1643	NA	PeJP	NA	NA
+PJ005754	PCCNM 	C20H34N6O7S3	566.1651	NA	PeJP	NA	NA
+CJpos0821	Phenylacetylglutamine [(2M+K)]+	C26H32KN4O8	566.177375	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0821	Phenylacetylglutamine [(2M+K)]+	C26H32KN4O8	566.177375	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ081514	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether, 3'-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H30O11	566.178811	NA	MeJP	NA	NA
+MJ081515	4,5-Dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-2(6H)-benzofuranone; 6-O-[4-O-(4-Hydroxycinnamoyl)-?-D-glucopyranoside](E-) 	C30H30O11	566.178811	NA	MeJP	NA	NA
+MJ081516	Ascochrome 	C30H30O11	566.178811	NA	MeJP	NA	NA
+PJ005755	GSCDW 	C23H30N6O9S	566.1795	NA	PeJP	NA	NA
+PJ005756	GSSSDD 	C19H30N6O14	566.182	NA	PeJP	NA	NA
+PJ005757	GNDMM 	C20H34N6O9S2	566.1829	NA	PeJP	NA	NA
+MJ081517	Monomelittoside; 5-O-?-D-Glucopyranoside, 6-Ac 	C23H34O16	566.184685	NA	MeJP	NA	NA
+MJ081518	Oleoside; 7-?-D-Glucopyranosyl ester, 11-Me ester 	C23H34O16	566.184685	NA	MeJP	NA	NA
+MJ081519	Theveside; 6'-O-?-D-Glucopyranoside, Me ester 	C23H34O16	566.184685	NA	MeJP	NA	NA
+MJ081520	Theveside; Me ester, 10-O-?-D-fructofuranoside 	C23H34O16	566.184685	NA	MeJP	NA	NA
+MJ081521	Theveside; Me ester, 10-O-?-D-glucopyranoside 	C23H34O16	566.184685	NA	MeJP	NA	NA
+MJ081522	Theveside; Me ester, 3'-O-?-D-glucopyranoside 	C23H34O16	566.184685	NA	MeJP	NA	NA
+MJ081523	AH10 	C34H30O8	566.194067	NA	MeJP	NA	NA
+MJ081524	AH13 	C34H30O8	566.194067	NA	MeJP	NA	NA
+MJ081525	Alopecurone F; 2'-Deoxy 	C34H30O8	566.194067	NA	MeJP	NA	NA
+MJ081526	Crinemodin bianthrone 	C34H30O8	566.194067	NA	MeJP	NA	NA
+MJ081527	Emodinbianthrone; 2,2',4,4'-Tetra-Me ether 	C34H30O8	566.194067	NA	MeJP	NA	NA
+PJ005758	GCCER 	C19H34N8O8S2	566.1941	NA	PeJP	NA	NA
+PJ005759	GNDDF 	C23H30N6O11	566.1973	NA	PeJP	NA	NA
+PJ005760	CQMW 	C24H34N6O6S2	566.1981	NA	PeJP	NA	NA
+MJ081528	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 4'-Me ether, 3''-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081529	6-Hydroxyloganin; 6'-(4-Methoxycinnamoyl) 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081530	6-Hydroxyloganin; 7-O-(4-Methoxycinnamoyl) 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081531	8,9,15-Trihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(2,3-Diacetoxy-2-methylbutanoyl), 9-Ac, Me ester 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081532	Fraxiresinol; 8-O-?-D-Glucopyranoside 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081533	Haenkeanoside; 7-Me ether 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081534	Haenkeanoside; Z-isomer, 7-Me ether 	C27H34O13	566.199941	NA	MeJP	NA	NA
+MJ081535	Loganic acid; 2'-(3,4-Dimethoxycinnamoyl)(E-) 	C27H34O13	566.199941	NA	MeJP	NA	NA
+PJ005761	SSNEM 	C20H34N6O11S	566.2006	NA	PeJP	NA	NA
+PJ005762	GGSSEM 	C20H34N6O11S	566.2007	NA	PeJP	NA	NA
+PJ005763	GCNHH 	C21H30N10O7S	566.202	NA	PeJP	NA	NA
+PJ005764	CCRW 	C23H34N8O5S2	566.2094	NA	PeJP	NA	NA
+PJ005765	SSCDR 	C19H34N8O10S	566.2119	NA	PeJP	NA	NA
+MJ081536	3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether, 9-O-(4-hydroxy-3-methoxycinnamoyl) 	C31H34O10	566.215197	NA	MeJP	NA	NA
+MJ081537	Antibiotic BA 12100MY1; 6-Deoxy, 3'-O-(2,3-dideoxy-?-D-rhamnopyranoside) 	C31H34O10	566.215197	NA	MeJP	NA	NA
+MJ081538	Hedyotol A; 5-Methoxy 	C31H34O10	566.215197	NA	MeJP	NA	NA
+MJ081539	Lappaol B; 2?-Hydroxy 	C31H34O10	566.215197	NA	MeJP	NA	NA
+MJ081540	Thielavin B 	C31H34O10	566.215197	NA	MeJP	NA	NA
+C12405	100-1	C31H34O10	566.2152	NA	KEGG	NA	NA
+PJ005766	GSSMW 	C24H34N6O8S	566.2159	NA	PeJP	NA	NA
+PJ005767	GSSSTE 	C20H34N6O13	566.2184	NA	PeJP	NA	NA
+PJ005768	GTQMM 	C21H38N6O8S2	566.2193	NA	PeJP	NA	NA
+MJ081541	Meclorisone; 17,21-Dibutanoyl 	C30H40Cl2O6	566.220194	NA	MeJP	NA	NA
+MJ081542	Renieramycin A 	C30H34N2O9	566.22643	NA	MeJP	NA	NA
+PJ005769	PPCNH 	C23H34N8O7S	566.2271	NA	PeJP	NA	NA
+PJ005770	GGPPCH 	C23H34N8O7S	566.2272	NA	PeJP	NA	NA
+MJ081543	Calyxin B; 4'-Deoxy 	C35H34O7	566.230453	NA	MeJP	NA	NA
+MJ081544	Iryantherin D; 5-Me ether 	C35H34O7	566.230453	NA	MeJP	NA	NA
+PJ005771	GTCMR 	C20H38N8O7S2	566.2305	NA	PeJP	NA	NA
+PJ005772	SSSTW 	C24H34N6O10	566.2337	NA	PeJP	NA	NA
+PJ005773	CKMW 	C25H38N6O5S2	566.2345	NA	PeJP	NA	NA
+MJ081545	12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 2,7,9,10-Tetra-Ac 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081546	15,16:18,19-Diepoxy-6,18-dihydroxy-13(16),14-clerodadien-20,12-olide, 18-O-?-D-Glucopyranoside, 16-Ac 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081547	2,4,8,9,14-Pentahydroxy-5,11(20)-briaradien-18,7-olide; 11?,20-Epoxide, 2,4,9,14-tetra-Ac 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081548	2,4,8,9,14-Pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,4,9,14-tetra-Ac 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081549	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-L-rhamnopyranoside 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081550	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-L-rhamnopyranoside 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081551	6,20:7,8:17,18-Triepoxy-10(17),13-xenicadiene-1,11,12,18,19-pentol; 11,12,18,19-Tetra-Ac 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081552	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 2,3,9,14-Tetra-Ac 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081553	8,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid, 8-(3-Acetoxy-2-hydroxy-2-methylbutanoyl), 9-(3-hydroxy-3-methylbutanoyl), Me ester 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081554	Bruceanic acid A; Me ester 	C28H38O12	566.236326	NA	MeJP	NA	NA
+MJ081555	Isoligustrosidic acid; Butyl ester 	C28H38O12	566.236326	NA	MeJP	NA	NA
+PJ005774	SSDKM 	C21H38N6O10S	566.237	NA	PeJP	NA	NA
+MJ081556	Daphnoline; N-De-Me 	C34H34N2O6	566.241686	NA	MeJP	NA	NA
+MJ081557	Digracine 	C34H34N2O6	566.241686	NA	MeJP	NA	NA
+MJ081558	Obamegine; Di-N-de-Me 	C34H34N2O6	566.241686	NA	MeJP	NA	NA
+MJ081559	Pangkoramine 	C34H34N2O6	566.241686	NA	MeJP	NA	NA
+PJ005775	NDRY 	C23H34N8O9	566.2449	NA	PeJP	NA	NA
+PJ005776	HHHH 	C24H30N12O5	566.2462	NA	PeJP	NA	NA
+PJ005777	SSSMR 	C20H38N8O9S	566.2483	NA	PeJP	NA	NA
+PJ005778	AQYW 	C28H34N6O7	566.2489	NA	PeJP	NA	NA
+PJ005779	GPCKY 	C25H38N6O7S	566.2523	NA	PeJP	NA	NA
+MJ081560	2,3,14,22,25-Pentahydroxycholest-7-en-6-one, 22-Sulfate, Na salt 	C27H43NaO9S	566.252548	NA	MeJP	NA	NA
+MJ081561	Okaramine B 	C33H34N4O5	566.25292	NA	MeJP	NA	NA
+PJ005780	SSSSSL 	C21H38N6O12	566.2548	NA	PeJP	NA	NA
+MJ081562	Daturametelin E 	C29H42O9S	566.254953	NA	MeJP	NA	NA
+PJ005781	GTKMM 	C22H42N6O7S2	566.2557	NA	PeJP	NA	NA
+PJ005782	PQHW 	C27H34N8O6	566.2601	NA	PeJP	NA	NA
+PJ005783	GAPHW 	C27H34N8O6	566.2602	NA	PeJP	NA	NA
+PJ005784	NMFR 	C24H38N8O6S	566.2635	NA	PeJP	NA	NA
+PJ005785	QKEY 	C25H38N6O9	566.27	NA	PeJP	NA	NA
+PJ005786	GAKEY 	C25H38N6O9	566.2701	NA	PeJP	NA	NA
+MJ081563	Virenamide C 	C34H38N4O2S	566.271547	NA	MeJP	NA	NA
+C08847	alpha-Antiarin	C29H42O11	566.2727	NA	KEGG	NA	NA
+MJ081564	2,3,6,7,11,17-Hexahydroxy-15-kauranone, 17-Me ether, 2,3,6,11-tetra-Ac 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081565	3,14,15-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081566	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 19-Carboxylic acid, 3-O-?-D-glucopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081567	3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-?-L-talopyranoside) 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081568	3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Gulomethyloside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081569	3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-L-Rhamnopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081570	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Allopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081571	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucofuranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081572	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081573	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Mannopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081574	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Mannopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081575	3,5,6,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-6-Deoxy-L-taloside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081576	3,5,6,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081577	Antiarigenin; 3-O-(6-Deoxy-?-D-allopyranoside) 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081578	Antiarigenin; 3-O-(6-Deoxy-?-D-gulopyranoside) 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081579	Antiarigenin; 3-O-Rhamnoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+MJ081580	Ghalakinoside 	C29H42O11	566.272712	NA	MeJP	NA	NA
+PJ005787	STTKM 	C22H42N6O9S	566.2734	NA	PeJP	NA	NA
+MJ081581	Hexahydro-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one 	C35H38N2O5	566.278072	NA	MeJP	NA	NA
+C15662	Dmp 323	C35H38N2O5	566.2781	NA	KEGG	NA	NA
+PJ005788	TQRY 	C24H38N8O8	566.2813	NA	PeJP	NA	NA
+PJ005789	AKYW 	C29H38N6O6	566.2853	NA	PeJP	NA	NA
+MJ081582	12-Hydroxyvilasinin; 12-Ketone, 7-tigloyl, 1-Ac 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081583	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 10,13-di-Ac 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081584	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 9,10-di-Ac 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081585	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 9,13-di-Ac 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081586	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl(E-), 10,13-di-Ac 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081587	4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylbutanoyl), 13-(phenylacetyl) 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081588	5,11-Jatrophadiene-3,7,9,14,15-pentol, 15-Deoxy, 14,15-didehydro, 3-benzoyl, 7,9,14-tri-Ac 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081589	Japonicin B 	C33H42O8	566.287968	NA	MeJP	NA	NA
+MJ081590	Sarothralen B 	C33H42O8	566.287968	NA	MeJP	NA	NA
+PJ005790	AAKMF 	C26H42N6O6S	566.2887	NA	PeJP	NA	NA
+MJ081591	Dexamethasone; 21-(3,6,9-Trioxaundecanoyl) 	C30H43FO9	566.289111	NA	MeJP	NA	NA
+HMDB02379	Mesoporphyrin IX	C34H38N4O4	566.289307	NA	HMDB2010	NA	NA
+HMDB02379	Mesoporphyrin IX	C34H38N4O4	566.28931	http://www.hmdb.ca/metabolites/HMDB02379	HMDB	NA	NA
+HMDB02379	Mesoporphyrin IX	C34H38N4O4	566.28931	HMDB02379	PFEM_hmdb_metabocards_official	NA	NA
+PJ005791	GPTHR 	C23H38N10O7	566.2925	NA	PeJP	NA	NA
+PJ005792	PKHW 	C28H38N8O5	566.2965	NA	PeJP	NA	NA
+MJ081592	Hordatine B; O-De-Me 	C28H38N8O5	566.296516	NA	MeJP	NA	NA
+MJ081593	C-Curarine; Di-N-de-Me 	C38H38N4O	566.304561	NA	MeJP	NA	NA
+MJ081594	Longicaudatine Z; 17'-Deoxy, 3',4',5',6',16',17'-hexadehydro 	C38H39N4O(+)	566.304561	NA	MeJP	NA	NA
+PJ005793	KKEY 	C26H42N6O8	566.3064	NA	PeJP	NA	NA
+MJ081595	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(3-O-Methyl-?-D-glucopyranoside) 	C30H46O10	566.309097	NA	MeJP	NA	NA
+MJ081596	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-D-galactopyranoside) 	C30H46O10	566.309097	NA	MeJP	NA	NA
+MJ081597	4,18:11,16:15,16-Triepoxy-3,6,15,19-clerodanetetrol, 15-Me ether, 3-(2-methylbutanoyl), 6,19-di-Ac 	C30H46O10	566.309097	NA	MeJP	NA	NA
+MJ081598	Hexanorcucurbitacin F; 2-O-?-D-Glucopyranoside 	C30H46O10	566.309097	NA	MeJP	NA	NA
+MJ081599	Hexanorcucurbitacin F; 3-O-?-D-Glucopyranoside 	C30H46O10	566.309097	NA	MeJP	NA	NA
+PJ005794	TKRY 	C25H42N8O7	566.3177	NA	PeJP	NA	NA
+MJ081600	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2,4,6-Decatrienoyl), 13-(2-methylpropanoyl) 	C34H46O7	566.324353	NA	MeJP	NA	NA
+MJ081601	Milbemycin IV; 27-Oxo, 5-ketone 	C34H46O7	566.324353	NA	MeJP	NA	NA
+MJ081602	Vulgaroside; 25-Cinnamoyl 	C34H46O7	566.324353	NA	MeJP	NA	NA
+MJ081603	Cycloart-24-ene-3,23,28-triol, 28-Carboxylic acid, 3-O-sulfate, 28-Me ester 	C31H50O7S	566.327724	NA	MeJP	NA	NA
+PJ005795	AALHR 	C24H42N10O6	566.3289	NA	PeJP	NA	NA
+MJ081604	Batrachotoxinin A; O20-2-Ethyl-4-methyl-3-pyrrolecarboxylate, O3-Me 	C33H46N2O6	566.335587	NA	MeJP	NA	NA
+PJ005796	VHRR 	C23H42N12O5	566.3401	NA	PeJP	NA	NA
+PJ005797	PPLLQ 	C27H46N6O7	566.3428	NA	PeJP	NA	NA
+MJ081605	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 22-O-(3-Hydroxybutanoyl)(R-) 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081606	5,12,14-Trihydroxy-3-cedren-15-oic acid, 14-Aldehyde, 5-O-(9R,10R,16-trihydroxyhexadecanoyl) 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081607	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-(3-methyl-2-butenoyl), 2-O-fucopyranoside 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081608	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, 2-O-L-fucopyranoside 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081609	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, 2-O-?-L-rhamnopyranoside 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081610	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-tigloyl, 2-O-fucopyranoside 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081611	Antibiotic FD 895 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081612	Cholest-7-ene-2,3,5,6,9,11,19-heptol, 11,19-Di-Ac 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081613	Fusicoccin D; 19-Deoxy, O-de-Me 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081614	Fusicoccin D; 3-Epimer, 19-deoxy, O-de-Me 	C31H50O9	566.345483	NA	MeJP	NA	NA
+MJ081615	Sanjoinine G1; Me ether 	C32H46N4O5	566.34682	NA	MeJP	NA	NA
+PJ005798	PPVVR 	C26H46N8O6	566.3541	NA	PeJP	NA	NA
+MJ081616	8-[(2-Oxo-3-piperidinyl)amino]-8-oxooctyl 5,9-anhydro-2,3,8-trideoxy-8-(5-hydroxy-4-methyl-2-hexenyl)-3-methyl-DL-glycero-LD-allo-non-2-enonoate; 4-Deoxy 	C30H50N2O8	566.356716	NA	MeJP	NA	NA
+MJ081617	Manzamine A, 3,4-Dihydro, 2-N-oxide 	C36H46N4O2	566.362076	NA	MeJP	NA	NA
+MJ081618	Manzamine A, 6-Hydroxy, 3,4-dihydro 	C36H46N4O2	566.362076	NA	MeJP	NA	NA
+MJ081619	Manzamine J; N2'-Oxide 	C36H46N4O2	566.362076	NA	MeJP	NA	NA
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR409	Zeaxanthine F1	NA	566.362275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR409	Zeaxanthine F1	NA	566.362275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR409	Zeaxanthine F1	NA	566.362275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR409	Zeaxanthine F1	NA	566.362275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR409	Zeaxanthine F1	F1	566.362275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ081620	3,20-Diaminopregnane-2,4-diol, N20,N20-Di-Me, N3-benzoyl, 2,4-di-Ac 	C34H50N2O5	566.371972	NA	MeJP	NA	NA
+PJ005799	PPLLK 	C28H50N6O6	566.3792	NA	PeJP	NA	NA
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR412	Luteine F1	NA	566.407875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR412	Luteine F1	NA	566.407875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR412	Luteine F1	NA	566.407875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR412	Lutéine F1	C40H56O2	566.407875	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR412	Luteine F1	NA	566.407875	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR412	Luteine F1	C40H56O2	566.407875	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02020	3'-hydroxy-e,e-caroten-3-one	C40H54O2	566.41235	http://www.hmdb.ca/metabolites/HMDB02020	HMDB	NA	NA
+HMDB03448	3-hydroxy-b,e-Caroten-3'-one	C40H54O2	566.41235	http://www.hmdb.ca/metabolites/HMDB03448	HMDB	NA	NA
+HMDB02020	3'-hydroxy-e,e-caroten-3-one	C40H54O2	566.41235	HMDB02020	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03448	3-hydroxy-b,e-Caroten-3'-one	C40H54O2	566.41235	HMDB03448	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02020	3'-hydroxy-e,e-caroten-3-one	C40H54O2	566.412354	NA	HMDB2010	NA	NA
+HMDB03448	3-Hydroxy-b,e-caroten-3'-one	C40H54O2	566.412354	NA	HMDB2010	NA	NA
+MJ081621	2-Demethylvitamin K2(30) 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081622	3-Hydroxy-?,?-caroten-4-one 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081623	?,?-Carotene-2,2'-diol, Monoketone 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081624	?,?-Carotene-3',6'-dione 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081625	Diatoxanthin 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081626	Echinenone; 2-Hydroxy 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081627	Echinenone; 3'-Hydroxy 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081628	Echinenone; 3S-Hydroxy 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081629	Echinenone; 4'-Hydroxy 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081630	Eschscholtzxanthin 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081631	Flexixanthin; 3-Deoxy 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081632	Lutein; 3'-Ketone 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081633	Micromonol; 19'-Aldehyde, 3'-deoxy, 3',4'-didehydro 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081634	Monadoxanthin 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081635	Plectaniaxanthin, 2'-Ketone 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081636	Ternstroemiaxanthin 	C40H54O2	566.41238	NA	MeJP	NA	NA
+MJ081637	Tunaxanthin, Monoketone 	C40H54O2	566.41238	NA	MeJP	NA	NA
+C08593	Eschscholtzxanthin	C40H54O2	566.4124	NA	KEGG	NA	NA
+C15965	3'-Hydroxyechinenone	C40H54O2	566.4124	NA	KEGG	NA	NA
+C15966	3-Hydroxyechinenone	C40H54O2	566.4124	NA	KEGG	NA	NA
+MJ081638	Antibiotic X 14889D 	C33H58O7	566.418254	NA	MeJP	NA	NA
+MJ081639	Griseochelin; 24,25-Didehydro 	C33H58O7	566.418254	NA	MeJP	NA	NA
+MJ081640	3',4'-Didehydro-1',2'-dihydro-?,?-caroten-1'-ol; Me ether 	C41H58O	566.448766	NA	MeJP	NA	NA
+MJ081641	Anhydrorhodovibrin 	C41H58O	566.448766	NA	MeJP	NA	NA
+C15877	Anhydrorhodovibrin	C41H58O	566.4488	NA	KEGG	NA	NA
+MJ081642	8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Tetradecanoyl 	C34H62O6	566.454639	NA	MeJP	NA	NA
+MJ081643	Giganin; 17-Deoxy, 13,14-dihydro 	C35H66O5	566.491025	NA	MeJP	NA	NA
+HMDB07014	DG(14:0/18:1(11Z)/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07015	DG(14:0/18:1(9Z)/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07042	DG(14:1(9Z)/18:0/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07099	DG(16:0/16:1(9Z)/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07127	DG(16:1(9Z)/16:0/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07154	DG(18:0/14:1(9Z)/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07182	DG(18:1(11Z)/14:0/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB07211	DG(18:1(9Z)/14:0/0:0)	C35H66O5	566.491028	NA	HMDB2010	NA	NA
+HMDB05203	DG(16:0/16:1(9Z)/0:0)[iso2]	C35H66O5	566.49103	http://www.hmdb.ca/metabolites/HMDB05203	HMDB	NA	NA
+HMDB05203	DG(16:0/16:1(9Z)/0:0)[iso2]	C35H66O5	566.49103	HMDB05203	PFEM_hmdb_metabocards_official	NA	NA
+MJ081644	1,3-Octatriacontanediol 	C38H78O2	566.600181	NA	MeJP	NA	NA
+7391	celiac sprue gluten epitope found in hordein	QQQQLPQQH	566.771	MH2+	Inhouse_peptide	NA	peptide
+MJ081645	3-[[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]methyl]-6,7-dihydroxy-2-quinoxalinecarboxylic acid 	C19H17N7O10S2	567.047831	NA	MeJP	NA	NA
+FL7AEGGL0002	6-Hydroxydelphinidin 3-(6-malonylglucoside)	C24H23O16	567.0986	478693-92-4	knapsack	NA	NA
+PJ005800	CCCCH 	C18H29N7O6S4	567.1062	NA	PeJP	NA	NA
+MJ081646	Everninonitrose 	C23H31Cl2NO11	567.127416	NA	MeJP	NA	NA
+PJ005801	CCNND 	C18H29N7O10S2	567.1418	NA	PeJP	NA	NA
+PJ005802	SCDDE 	C19H29N5O13S	567.1483	NA	PeJP	NA	NA
+PJ005803	PCCDM 	C20H33N5O8S3	567.1492	NA	PeJP	NA	NA
+PJ005804	GDDMM 	C20H33N5O10S2	567.1669	NA	PeJP	NA	NA
+MJ081647	Amidepsine B; 2-Me ether 	C29H29NO11	567.17406	NA	MeJP	NA	NA
+PJ005805	SCNNM 	C19H33N7O9S2	567.1781	NA	PeJP	NA	NA
+PJ005806	GGGGSCM 	C19H33N7O9S2	567.1782	NA	PeJP	NA	NA
+CJpos0822	Phenylacetylglutamine [(2M+K)]+ (13C)	C2513CH32KN4O8	567.180675	C18rt(min)=5.95 Pos identified a,b,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0822	Phenylacetylglutamine [(2M+K)]+ (13C)	C2513CH32KN4O8	567.180675	C18rt(min)=5.95 Pos identified a,b,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+PJ005807	GDDDF 	C23H29N5O12	567.1813	NA	PeJP	NA	NA
+PJ005808	CEMW 	C24H33N5O7S2	567.1822	NA	PeJP	NA	NA
+PJ005809	SSDEM 	C20H33N5O12S	567.1847	NA	PeJP	NA	NA
+PJ005810	SPCMM 	C21H37N5O7S3	567.1855	NA	PeJP	NA	NA
+PJ005811	GCDHH 	C21H29N9O8S	567.186	NA	PeJP	NA	NA
+MJ081648	Neoacrimarine D 	C33H29NO8	567.189316	NA	MeJP	NA	NA
+PJ005812	GSSSCQ 	C19H33N7O11S	567.1959	NA	PeJP	NA	NA
+PJ005813	GPCEY 	C24H33N5O9S	567.1999	NA	PeJP	NA	NA
+PJ005814	GTEMM 	C21H37N5O9S2	567.2033	NA	PeJP	NA	NA
+PJ005815	GCNQF 	C23H33N7O8S	567.2112	NA	PeJP	NA	NA
+PJ005816	SSSSSN 	C19H33N7O13	567.2136	NA	PeJP	NA	NA
+PJ005817	SCCQK 	C20H37N7O8S2	567.2145	NA	PeJP	NA	NA
+PJ005818	PCYW 	C28H33N5O6S	567.2152	NA	PeJP	NA	NA
+PJ005819	QEEY 	C24H33N5O11	567.2177	NA	PeJP	NA	NA
+PJ005820	TMMW 	C25H37N5O6S2	567.2185	NA	PeJP	NA	NA
+PJ005821	APCMF 	C25H37N5O6S2	567.2186	NA	PeJP	NA	NA
+PJ005822	STTEM 	C21H37N5O11S	567.221	NA	PeJP	NA	NA
+MJ081649	Saframycin A; Decyano, 14?-methoxy 	C29H33N3O9	567.221679	NA	MeJP	NA	NA
+PJ005823	GVMMM 	C22H41N5O6S3	567.2219	NA	PeJP	NA	NA
+PJ005824	GSMHH 	C22H33N9O7S	567.2224	NA	PeJP	NA	NA
+PJ005825	DDRY 	C23H33N7O10	567.2289	NA	PeJP	NA	NA
+PJ005826	GSSSCK 	C20H37N7O10S	567.2323	NA	PeJP	NA	NA
+PJ005827	AEYW 	C28H33N5O8	567.2329	NA	PeJP	NA	NA
+PJ005828	MMMR 	C21H41N7O5S3	567.2332	NA	PeJP	NA	NA
+PJ005829	GPTMY 	C25H37N5O8S	567.2363	NA	PeJP	NA	NA
+PJ005830	SSLMM 	C22H41N5O8S2	567.2397	NA	PeJP	NA	NA
+PJ005831	SSTHH 	C22H33N9O9	567.2401	NA	PeJP	NA	NA
+PJ005832	GGSPNH 	C22H33N9O9	567.2402	NA	PeJP	NA	NA
+PJ005833	PEHW 	C27H33N7O7	567.2442	NA	PeJP	NA	NA
+MJ081650	Ipalbidine, O-[4--Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C31H37NO9	567.246831	NA	MeJP	NA	NA
+PJ005834	DMFR 	C24H37N7O7S	567.2475	NA	PeJP	NA	NA
+PJ005835	GGGCKF 	C24H37N7O7S	567.2476	NA	PeJP	NA	NA
+MJ081651	Streptomycin; N-De-Me 	C20H37N7O12	567.250019	NA	MeJP	NA	NA
+PJ005836	SCCKK 	C21H41N7O7S2	567.2509	NA	PeJP	NA	NA
+PJ005837	CLFW 	C29H37N5O5S	567.2516	NA	PeJP	NA	NA
+PJ005838	KEEY 	C25H37N5O10	567.2541	NA	PeJP	NA	NA
+PJ005839	QHHF 	C26H33N9O6	567.2554	NA	PeJP	NA	NA
+7901	peptide from bovine b-lactoglobulin	WYSL	567.258	antioxidative	Inhouse_peptide	NA	peptide
+PJ005840	TERY 	C24H37N7O9	567.2653	NA	PeJP	NA	NA
+PJ005841	SLYW 	C29H37N5O7	567.2693	NA	PeJP	NA	NA
+7489	b-lactokinin (fr, of b-lactoglobulin: 142-146)	ALPMH	567.2714	antioxidative	Inhouse_peptide	NA	peptide
+PJ005842	AALMY 	C26H41N5O7S	567.2727	NA	PeJP	NA	NA
+PJ005843	GVQQH 	C23H37N9O8	567.2765	NA	PeJP	NA	NA
+PJ005844	GGGGALH 	C23H37N9O8	567.2766	NA	PeJP	NA	NA
+PJ005845	APPHF 	C28H37N7O6	567.2806	NA	PeJP	NA	NA
+PJ005846	VMRY 	C25H41N7O6S	567.2839	NA	PeJP	NA	NA
+C03755	3'-Deoxydihydrostreptomycin	C21H41N7O11	567.2864	NA	KEGG	NA	NA
+C03756	3'-Nucleoside monophosphate	C5H10O7PR	567.2864	NA	KEGG	NA	NA
+PJ005847	QQHR 	C22H37N11O7	567.2878	NA	PeJP	NA	NA
+PJ005848	ATTLY 	C26H41N5O9	567.2904	NA	PeJP	NA	NA
+MJ081652	Methyl 6-(3,4-difluorophenyl)-1,6-dihydro-1-[5-[4-(methoxycarbonyl)-4-phenyl-1-piperidinyl]pentyl]-2,4-dimethyl-5-pyrimidinecarboxylate 	C32H39F2N3O4	567.290863	NA	MeJP	NA	NA
+PJ005849	KHHF 	C27H37N9O5	567.2918	NA	PeJP	NA	NA
+PJ005850	GLLEH 	C25H41N7O8	567.3017	NA	PeJP	NA	NA
+PJ005851	AALFF 	C30H41N5O6	567.3057	NA	PeJP	NA	NA
+PJ005852	APPQR 	C24H41N9O7	567.3129	NA	PeJP	NA	NA
+MJ081653	Nelfinavir 	C32H45N3O4S	567.313077	NA	MeJP	NA	NA
+C07257	Nelfinavir	C32H45N3O4S	567.3131	NA	KEGG	NA	NA
+C11246	6alpha-Glucuronosylhyodeoxycholate	C30H47O10	567.3169	NA	KEGG	NA	NA
+PJ005853	LLHW 	C29H41N7O5	567.3169	NA	PeJP	NA	NA
+MJ081654	Bicolorine; O1,O8-Di-Me, O14-benzoyl, O6-Ac 	C33H45NO7	567.319602	NA	MeJP	NA	NA
+MJ081655	Dihydrogadesine; O1-Me, O14-cinnamoyl(E-) 	C33H45NO7	567.319602	NA	MeJP	NA	NA
+MJ081656	Dihydrogadesine; O1-Me, O14-cinnamoyl(Z)- 	C33H45NO7	567.319602	NA	MeJP	NA	NA
+MJ081657	Icumazole A 	C33H45NO7	567.319602	NA	MeJP	NA	NA
+MJ081658	Talatizamine; 8-Benzoyl, 14-Ac 	C33H45NO7	567.319602	NA	MeJP	NA	NA
+PJ005854	QKHR 	C23H41N11O6	567.3242	NA	PeJP	NA	NA
+PJ005855	PPLLE 	C27H45N5O8	567.3268	NA	PeJP	NA	NA
+EUR760	Lyso PC 20:3 [M+Na]+	C28H52NO7P	567.330088	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR760	Lyso PC 20:3 [M+Na]+	C28H52NO7P	567.330088	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR760	Lyso PC 20:3 [M+Na]+	C28H52NO7P	567.330088	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR760	Lyso PC 20:3 [M+Na]+	C28H52NO7P	567.330088	masses lipides attendues	Inhousejuil11	NA	NA
+EUR794	Lyso PC 22:6 monoisotopic mass 	C30H50NO7P	567.332492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR794	Lyso PC 22:6 monoisotopic mass 	C30H50NO7P	567.332492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR794	Lyso PC 22:6 monoisotopic mass 	C30H50NO7P	567.332492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR794	Lyso PC 22:6 monoisotopic mass 	C30H50NO7P	567.332492	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10404	LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C30H50NO7P	567.33252	NA	HMDB2010	NA	NA
+MJ081659	Penitrem C; Dechloro 	C37H45NO4	567.334858	NA	MeJP	NA	NA
+PJ005856	SVLLH 	C26H45N7O7	567.3381	NA	PeJP	NA	NA
+PJ005857	APPKR 	C25H45N9O6	567.3493	NA	PeJP	NA	NA
+EUR667	Lyso PC 18:1 [M+FA-H]-	C26H52NO7P	567.353022	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR667	Lyso PC 18:1 [M+FA-H]-	C26H52NO7P	567.353022	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR667	Lyso PC 18:1 [M+FA-H]-	C26H52NO7P	567.353022	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR667	Lyso PC 18:1 [M+FA-H]-	C26H52NO7P	567.353022	masses lipides attendues	Inhousejuil11	NA	NA
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR590	LysoPC(18:1)	[M+FA-H]-	567.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR713	LysoPE (20:1) [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR868	Lyso PE 20:1 [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR713	LysoPE (20:1) [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR868	Lyso PE 20:1 [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR713	LysoPE (20:1) [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR868	Lyso PE 20:1 [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR713	LysoPE (20:1) [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	Inhousejuil11	NA	NA
+EUR868	Lyso PE 20:1 [M-H+acetate]-	C25H50NO7P	567.353592	masses lipides attendues	Inhousejuil11	NA	NA
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR527	18 :1 Lyso PC F2	NA	567.353825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR527	18 :1 Lyso PC F2	NA	567.353825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR527	18 :1 Lyso PC F2	NA	567.353825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR527	18 :1 Lyso PC F2	NA	567.353825	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR527	18 :1 Lyso PC F2	F2	567.353825	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ005858	KKHR 	C24H45N11O5	567.3605	NA	PeJP	NA	NA
+MJ081660	Isariin C 	C28H49N5O7	567.363198	NA	MeJP	NA	NA
+PJ005859	PPVKK 	C27H49N7O6	567.3745	NA	PeJP	NA	NA
+C12001	5-O-beta-D-Mycaminosyltylactone	C31H53NO8	567.3771	NA	KEGG	NA	NA
+MJ081661	Juvenimicin B1 	C31H53NO8	567.377117	NA	MeJP	NA	NA
+MJ081662	Protylonolide; 5-O-(3,6-Dideoxy-3-dimethylamino-?-D-glucopyranoside) 	C31H53NO8	567.377117	NA	MeJP	NA	NA
+MJ081663	Rosamicin; 20-Deoxo 	C31H53NO8	567.377117	NA	MeJP	NA	NA
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR410	Zeaxanthine F2	NA	567.389475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR410	Zeaxanthine F2	NA	567.389475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR410	Zeaxanthine F2	NA	567.389475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR410	Zeaxanthine F2	NA	567.389475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR410	Zeaxanthine F2	F2	567.389475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ005860	PLLLL 	C29H53N5O6	567.3996	NA	PeJP	NA	NA
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR413	Luteine F2	NA	567.413575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR413	Luteine F2	NA	567.413575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR413	Luteine F2	NA	567.413575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR413	Luteine F2	F2	567.413575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR413	Luteine F2	NA	567.413575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR413	Luteine F2	F2	567.413575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ081664	5-(2,3-Epoxy-3-methylbutyl)-3-[2-hydroxy-1-(hydroxymethyl)-2-methylpropyl]-1H-indole, 5'-(9-Octadecenoyl)(Z-) 	C36H57NO4	567.428759	NA	MeJP	NA	NA
+MJ081665	N-[15-Methyl-3-(13-methyl-4-tetradecenoyloxy)hexadecanoyl]glycine, 4',5'-Dihydro 	C34H65NO5	567.486274	NA	MeJP	NA	NA
+HMDB11761	Cer(d18:0/18:0)	C36H73NO3	567.559021	NA	HMDB2010	NA	NA
+7699	ACE inhibitor from yeast GADPH	KKIATYQER	567.81	MH2+	Inhouse_peptide	NA	peptide
+MJ081666	2,2',2''-Stibylidynetris[thio]trisbutanedioic acid 	C12H15O12S3Sb	567.876381	NA	MeJP	NA	NA
+MJ081667	N-[4-[2-[[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide 	C23H25IN2O5S	568.052886	NA	MeJP	NA	NA
+MJ081668	Anhydrobartramiaflavone 	C30H16O12	568.064175	NA	MeJP	NA	NA
+MJ081669	Riccionidin A; Dimer 	C30H17O12(+)	568.064176	NA	MeJP	NA	NA
+MJ081670	1,8-Dihydroxy-3-methylanthraquinone; 8-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H24O13	568.12169	NA	MeJP	NA	NA
+MJ081671	3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H24O13	568.12169	NA	MeJP	NA	NA
+MJ081672	Astragalin; O''-(4-Hydroxybenzoyl) 	C28H24O13	568.12169	NA	MeJP	NA	NA
+MJ081673	Isoorientin; 2''-O-(4-Hydroxybenzoyl) 	C28H24O13	568.12169	NA	MeJP	NA	NA
+MJ081674	Trifolin; 6''-O-(4-Hydroxybenzoyl) 	C28H24O13	568.12169	NA	MeJP	NA	NA
+FL3FACCS0034	Isoorientin 2''-p-hydroxybenzoate	C28H24O13	568.12169	67308-38-7	knapsack	NA	NA
+FL3FACCS0048	2''-O-p-Hydroxybenzoylorientin	C28H24O13	568.12169	865111-98-4	knapsack	NA	NA
+FL3FACCS0059	Perfoliatumin A;Isoorientin 6''-O-p-hydroxybenzoate	C28H24O13	568.12169	325772-31-4	knapsack	NA	NA
+PJ005861	CCNDD 	C18H28N6O11S2	568.1258	NA	PeJP	NA	NA
+MJ081675	Amentoflavone; 2'',3''-Dihydro, 4''',7''-di-Me ether 	C32H24O10	568.136946	NA	MeJP	NA	NA
+MJ081676	Cynandione B 	C32H24O10	568.136946	NA	MeJP	NA	NA
+MJ081677	Robustaflavone; 2R,3-Dihydro, 4''',7-di-Me ether 	C32H24O10	568.136946	NA	MeJP	NA	NA
+MJ081678	Rugulin 	C32H24O10	568.136946	NA	MeJP	NA	NA
+MJ081679	Xylindein 	C32H24O10	568.136946	NA	MeJP	NA	NA
+MJ081680	nandione B; Stereoisomer 	C32H24O10	568.136946	NA	MeJP	NA	NA
+MJ081681	Ceftizoxime; N-(2-Amino-1-oxopropyl); (2,2-dimethyl-1-oxopropoxy)methyl ester 	C22H28N6O8S2	568.141003	NA	MeJP	NA	NA
+MJ081682	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 1-O-[?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081683	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081684	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081685	1,3,5,6-Tetrahydroxyxanthone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081686	1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-D-glucopyranoside] 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081687	3,3',4',5,5',6,7,8-Octahydroxyflavone; 3,4',6,8-Tetra-Me ether, 3'-O-?-D-glucopyranoside 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081688	Mangiferin; 7-Me ether, 6'-O-?-D-apiofuranoside 	C25H28O15	568.14282	NA	MeJP	NA	NA
+MJ081689	Wubangziside C 	C25H28O15	568.14282	NA	MeJP	NA	NA
+FL5FGGGS0001	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside	C25H28O15	568.14282	101021-27-6	knapsack	NA	NA
+PJ005862	GSPCCC 	C19H32N6O8S3	568.1444	NA	PeJP	NA	NA
+MJ081690	Cefuroxime; 1-(2-Methoxy-2-methyl-1-oxopropoxy)ethyl ester 	C23H28N4O11S	568.147528	NA	MeJP	NA	NA
+FL5FF8NN0001	6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one	C29H28O12	568.15807	162663-69-6	knapsack	NA	NA
+FL6FACGS0003	Viscutin 2	C29H28O12	568.15807	108403-44-7	knapsack	NA	NA
+MJ081691	2,3-Dihydro-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-6,8-dimethoxy-7H-1,4-dioxino[2,3-h]chromen-7-one 	C29H28O12	568.158076	NA	MeJP	NA	NA
+MJ081692	3',4',5,7-Tetrahydroxyflavan, 5-O-(2-O-Caffeoylxylopyranoside) 	C29H28O12	568.158076	NA	MeJP	NA	NA
+MJ081693	Helisterculin A 	C29H28O12	568.158076	NA	MeJP	NA	NA
+PJ005863	SCNDM 	C19H32N6O10S2	568.1622	NA	PeJP	NA	NA
+C11376	SN38 glucuronide	C28H28N2O11	568.1693	NA	KEGG	NA	NA
+C11377	alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-	C25H41N2O19R	568.1693	NA	KEGG	NA	NA
+MJ081694	6-Hydroxy-2-[2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-6H-benzo[h]pyrano[3,4,5-de]-1-benzopyran-2-yl]naphtho[1,2-b]furan-4-carboxylic acid; Me ester 	C33H28O9	568.173332	NA	MeJP	NA	NA
+MJ081695	Asticolorin C 	C33H28O9	568.173332	NA	MeJP	NA	NA
+PJ005864	GTCCW 	C23H32N6O7S2	568.1774	NA	PeJP	NA	NA
+MJ081696	1-(2,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3',4-Di-O-?-D-glucopyranoside 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081697	1-(4-Hydroxyphenyl)-2-(2,3,5-trihydroxyphenyl)ethylene; 2,3-Di-O-?-D-glucopyranoside 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081698	10-Hydroxyloganic acid; 10-O-(3,4-Dihydroxycinnamoyl)(E-), Me ester 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081699	2-Hydroxybenzyl 2-hydroxybenzoate; Di-O-?-D-glucopyranoside 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081700	3,4-Dihydroxybenzyl alcohol; 1'-O-Benzoyl, 3,4-di-O-?-D-glucopyranoside 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081701	Eleutherol, 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081702	Lamiide; 7-(4-Hydroxycinnamoyl)(E-) 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081703	Lamiide; 7-(4-Hydroxycinnamoyl)(Z-) 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081704	Lamiide; 7-Benzoyl, 8-Ac 	C26H32O14	568.179205	NA	MeJP	NA	NA
+MJ081705	Shanzhiside; 6-O-(4-Hydroxy-3-methoxycinnamoyl) 	C26H32O14	568.179205	NA	MeJP	NA	NA
+PJ005865	GSSSCE 	C19H32N6O12S	568.1799	NA	PeJP	NA	NA
+PJ005866	GCQMM 	C20H36N6O7S3	568.1808	NA	PeJP	NA	NA
+PJ005867	GCCMR 	C19H36N8O6S3	568.192	NA	PeJP	NA	NA
+MJ081706	Bistratamide A; 11,12-Didehydro 	C27H32N6O4S2	568.192644	NA	MeJP	NA	NA
+MJ081707	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(3-Phenylpropenoyl), 15-O-?-D-glucopyranoside 	C30H32O11	568.194461	NA	MeJP	NA	NA
+MJ081708	Pterolactone B; 12-Deoxy, 10-O-(4-O-4-hydroxycinnamoyl-?-D-glucopyranoside) 	C30H32O11	568.194461	NA	MeJP	NA	NA
+PJ005868	SSSCW 	C23H32N6O9S	568.1952	NA	PeJP	NA	NA
+PJ005869	SSSSSD 	C19H32N6O14	568.1977	NA	PeJP	NA	NA
+PJ005870	SSNMM 	C20H36N6O9S2	568.1985	NA	PeJP	NA	NA
+MJ081709	10-Hydroxyloganic acid; 10-O-?-D-Glucopyranoside, Me ester 	C23H36O16	568.200335	NA	MeJP	NA	NA
+MJ081710	Shanzhiside; 6'-O-?-D-glucopyranosyl, Me ester 	C23H36O16	568.200335	NA	MeJP	NA	NA
+PJ005871	EEEY 	C24H32N4O12	568.2017	NA	PeJP	NA	NA
+MJ081711	6-Chloro-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 12-Ketone,14-butanoyl, 2,9-di-Ac 	C28H37ClO10	568.207525	NA	MeJP	NA	NA
+MJ081712	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 2-butanoyl, 9,12-di-Ac 	C28H37ClO10	568.207525	NA	MeJP	NA	NA
+PJ005872	STCCR 	C19H36N8O8S2	568.2098	NA	PeJP	NA	NA
+PJ005873	CNFW 	C27H32N6O6S	568.2104	NA	PeJP	NA	NA
+MJ081713	Raocyclamide B 	C27H32N6O6S	568.210403	NA	MeJP	NA	NA
+MJ081714	2-Amino-2-deoxy-?-L-galactopyranuronosyl-(1?3)-2-amino-2-deoxy-?-D-quinovosyl-(1?3)-D-rhamnose; ?-Pyranose-form, 2'N,2''N-Di-Ac 	C22H36N2O15	568.211568	NA	MeJP	NA	NA
+PJ005874	GSNEY 	C23H32N6O11	568.2129	NA	PeJP	NA	NA
+MJ081715	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 5'-Methoxy, 4-O-?-D-glucopyranoside 	C27H36O13	568.215591	NA	MeJP	NA	NA
+MJ081716	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 5-Methoxy, 4-O-?-D-glucopyranoside 	C27H36O13	568.215591	NA	MeJP	NA	NA
+MJ081717	12,16-Dihydroxy-3,13-clerodadiene-15,16:17,6-diolid-18-oic acid, 12-O-?-D-Glucopyranoside, Me ester 	C27H36O13	568.215591	NA	MeJP	NA	NA
+MJ081718	2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol; 1'-O-[ 4-Hydroxy-3-methoxybenzoyl-(1? 6)-?-D-glucopyranoside] 	C27H36O13	568.215591	NA	MeJP	NA	NA
+MJ081719	3,3',4,4',5,7',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me-ether, 7'-O-?-D-glucopyranoside 	C27H36O13	568.215591	NA	MeJP	NA	NA
+MJ081720	6,15-Dihydroxy-3,13-clerodadiene-16,15:17,12-diolid-18-oic acid, 6-O-?-D-Glucopyranoside, Me ester 	C27H36O13	568.215591	NA	MeJP	NA	NA
+MJ081721	Bruceanic acid A; 15-Deacyl, 15-(4-hydroxy-3,4-dimethyl-2-pentenoyl) 	C27H36O13	568.215591	NA	MeJP	NA	NA
+PJ005875	GSSSTM 	C20H36N6O11S	568.2163	NA	PeJP	NA	NA
+MJ081722	Antibiotic B 4317 	C28H32N4O9	568.216928	NA	MeJP	NA	NA
+PJ005876	GCKMM 	C21H40N6O6S3	568.2172	NA	PeJP	NA	NA
+MJ081723	Formocortal 	C29H38ClFO8	568.223924	NA	MeJP	NA	NA
+PJ005877	SPNDH 	C22H32N8O10	568.2242	NA	PeJP	NA	NA
+PJ005878	SNYW 	C27H32N6O8	568.2282	NA	PeJP	NA	NA
+C17812	Lappaol D	C31H36O10	568.2308	NA	KEGG	NA	NA
+MJ081724	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 6-(3-Furancarbonyl), 9-benzoyl, 1,2-di-Ac 	C31H36O10	568.230847	NA	MeJP	NA	NA
+MJ081725	Lappaol D 	C31H36O10	568.230847	NA	MeJP	NA	NA
+PJ005879	QQMY 	C24H36N6O8S	568.2315	NA	PeJP	NA	NA
+PJ005880	GAQMY 	C24H36N6O8S	568.2316	NA	PeJP	NA	NA
+PJ005881	SSSSTT 	C20H36N6O13	568.234	NA	PeJP	NA	NA
+MJ081726	Hydroxyzine, 3,4,5-Trimethoxybenzoyl 	C31H37ClN2O6	568.234014	NA	MeJP	NA	NA
+PJ005882	STCKM 	C21H40N6O8S2	568.2349	NA	PeJP	NA	NA
+PJ005883	GNNQH 	C21H32N10O9	568.2354	NA	PeJP	NA	NA
+PJ005884	EHHF 	C26H32N8O7	568.2394	NA	PeJP	NA	NA
+PJ005885	CQRY 	C23H36N8O7S	568.2428	NA	PeJP	NA	NA
+MJ081727	Itrocinonide 	C29H38F2O9	568.248389	NA	MeJP	NA	NA
+PJ005886	GSDKY 	C24H36N6O10	568.2493	NA	PeJP	NA	NA
+MJ081728	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9-Tetra-Ac 	C28H40O12	568.251976	NA	MeJP	NA	NA
+MJ081729	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,10,13-Tetra-Ac 	C28H40O12	568.251976	NA	MeJP	NA	NA
+MJ081730	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 1,2,9,13-Tetra-Ac 	C28H40O12	568.251976	NA	MeJP	NA	NA
+MJ081731	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,10,13-Tetra Ac 	C28H40O12	568.251976	NA	MeJP	NA	NA
+MJ081732	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2,4,10,13-Tetra-Ac 	C28H40O12	568.251976	NA	MeJP	NA	NA
+MJ081733	Amarolide; 11-Ac, 2-O-?-D-glucopyranoside 	C28H40O12	568.251976	NA	MeJP	NA	NA
+MJ081734	Musabalbisiane A; 18,19,23-Tris-alcohol, 3-angeloyl 	C28H40O12	568.251976	NA	MeJP	NA	NA
+PJ005887	GPCHR 	C22H36N10O6S	568.254	NA	PeJP	NA	NA
+MJ081735	?-Morphine 	C34H36N2O6	568.257336	NA	MeJP	NA	NA
+MJ081736	Lindoldhamine 	C34H36N2O6	568.257336	NA	MeJP	NA	NA
+7345	celiac sprue gluten epitope found in glutenin	PQQHQQFPQ	568.26	MH2+	Inhouse_peptide	NA	peptide
+7387	celiac sprue gluten epitope found in hordein	QQPQHQFPQ	568.26	MH2+	Inhouse_peptide	NA	peptide
+PJ005888	GSSRY 	C23H36N8O9	568.2605	NA	PeJP	NA	NA
+PJ005889	GVQEH 	C23H36N8O9	568.2606	NA	PeJP	NA	NA
+PJ005890	QQFF 	C28H36N6O7	568.2646	NA	PeJP	NA	NA
+MJ081737	18,19-Epoxy-3,12,14-clerodatriene-2,18,19-triol, 2-(4-Hydroxy-3-methoxybenzoyl), 18,19-di-Ac 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081738	Detigloylswietenine; 2?-Hydroxy, 6-deoxy, 3-tigloyl 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081739	Detigloylswietenine; 3-Tigloyl 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081740	Detigloylswietenine; 6-Deoxy, 8?,30?-epoxide, 3-tigloyl 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081741	Humilinolide C; 2-De-Ac 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081742	Ingol; O8-Me, 7-benzoyl, 3,12-di-Ac 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081743	Monachosorin A; 2,12'-Dihydro, 14'-O-?-D-glucopyranoside 	C32H40O9	568.267232	NA	MeJP	NA	NA
+MJ081744	Swietenolide; 3-Tigloyl 	C32H40O9	568.267232	NA	MeJP	NA	NA
+PJ005891	QKMY 	C25H40N6O7S	568.2679	NA	PeJP	NA	NA
+PJ005892	GAPPPM 	C25H40N6O7S	568.268	NA	PeJP	NA	NA
+PJ005893	QEHR 	C22H36N10O8	568.2718	NA	PeJP	NA	NA
+PJ005894	VQHW 	C27H36N8O6	568.2758	NA	PeJP	NA	NA
+PJ005895	CKRY 	C24H40N8O6S	568.2792	NA	PeJP	NA	NA
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.2818	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.2818	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.2818	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.2818	Wishlist	Inhousejuil11	NA	NA
+C06462	Leukotriene F4	C28H44N2O8S	568.2818	NA	KEGG	NA	NA
+MJ081745	Leukotriene F4 	C28H44N2O8S	568.281837	NA	MeJP	NA	NA
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	HMDB	NA	NA
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	Inhouse_PFEM	NA	NA
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR154	LeukotrieneF4(LTF4)	C28H44N2O8S	568.28184	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06465	leukotriene F4	C28H44N2O8S	568.28186	http://www.hmdb.ca/metabolites/HMDB06465	HMDB	NA	NA
+HMDB06465	leukotriene F4	C28H44N2O8S	568.28186	HMDB06465	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06465	Leukotriene F4	C28H44N2O8S	568.28186	NA	HMDB2010	NA	NA
+MJ081746	Castanaguyone 	C36H40O6	568.282489	NA	MeJP	NA	NA
+PJ005896	GTTKY 	C25H40N6O9	568.2857	NA	PeJP	NA	NA
+PJ005897	AHRW 	C26H36N10O5	568.287	NA	PeJP	NA	NA
+MJ081747	1,3,5,11,14-Pentahydroxycard-20(22)-enolide, 3-O-(6-Deoxy-?-L-talopyranoside) 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081748	1,3,5,14-Tetrahydroxycard-20(22)-enolide, 3-O-?-D-Glucopyranoside 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081749	3,5,11,14,19-Pentahydroxycard-20(22)-enolide, 3-O-Rhamnoside 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081750	3,5,11,14,19-Pentahydroxycard-20(22)-enolide, 3-O-Talomethyloside 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081751	3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 19-Alcohol, 3-O-?-D-Gulomethyloside 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081752	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-?-D-Glucofuranoside 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081753	4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylpropanoyl), 6,19-di-Ac 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081754	4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylpropanoyl), 6,19-di Ac 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081755	4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylpropanoyl), 6,19-di-Ac 	C29H44O11	568.288362	NA	MeJP	NA	NA
+MJ081756	Nigakihemiacetal B; 11?-Alcohol, 16-epimer, O16-Me, 11-O-?-D-glucopyranoside 	C29H44O11	568.288362	NA	MeJP	NA	NA
+C08878	Sarmentoloside	C29H44O11	568.2884	NA	KEGG	NA	NA
+PJ005898	APPER 	C24H40N8O8	568.2969	NA	PeJP	NA	NA
+PJ005899	GPPLW 	C29H40N6O6	568.301	NA	PeJP	NA	NA
+C11962	5-Oxoavermectin ''1b'' aglycone	C33H44O8	568.3036	NA	KEGG	NA	NA
+MJ081757	12-Hydroxyvilasinin; 7-Tigloyl, 12-Ac 	C33H44O8	568.303618	NA	MeJP	NA	NA
+MJ081758	Helvolic acid 	C33H44O8	568.303618	NA	MeJP	NA	NA
+MJ081759	Hyperbrasilol A 	C33H44O8	568.303618	NA	MeJP	NA	NA
+MJ081760	Sarothralin A 	C33H44O8	568.303618	NA	MeJP	NA	NA
+PJ005900	KKMY 	C26H44N6O6S	568.3043	NA	PeJP	NA	NA
+HMDB01097	Protoporphyrinogen IX	C34H40N4O4	568.30493	http://www.hmdb.ca/metabolites/HMDB01097	HMDB	NA	NA
+HMDB01097	Protoporphyrinogen IX	C34H40N4O4	568.30493	HMDB01097	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01097	Protoporphyrinogen IX	C34H40N4O4	568.304932	NA	HMDB2010	NA	NA
+MJ081761	Adouetine Y 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081762	Ceanothine E 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081763	Crenatine A 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081764	Deoxoaralionine A 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081765	Discarine D 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081766	Scutianine B 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081767	Scutianine L 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MJ081768	Protoporphyrinogen IX 	C34H40N4O4	568.304955	NA	MeJP	NA	NA
+MetaCyc03873	protoporphyrinogen IX [protoporphyrinogen;]	C34H40N4O4	568.304956	7412-77-3	metacyc	NA	NA
+C01079	Protoporphyrinogen IX	C34H40N4O4	568.305	NA	KEGG	NA	NA
+C09994	Adouetine Y	C34H40N4O4	568.305	NA	KEGG	NA	NA
+C10002	Crenatine A	C34H40N4O4	568.305	NA	KEGG	NA	NA
+MJ081769	22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 2-Ac 	C30H48O8S	568.306989	NA	MeJP	NA	NA
+MJ081770	22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 3-Ac 	C30H48O8S	568.306989	NA	MeJP	NA	NA
+MJ081771	22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 2-Ac 	C30H48O8S	568.306989	NA	MeJP	NA	NA
+MJ081772	22,23-Epoxyergost-7-ene-2,3,4-triol, 4-Sulfate, 3-Ac 	C30H48O8S	568.306989	NA	MeJP	NA	NA
+PJ005901	KEHR 	C23H40N10O7	568.3082	NA	PeJP	NA	NA
+PJ005902	VKHW 	C28H40N8O5	568.3122	NA	PeJP	NA	NA
+MJ081773	Batrachotoxinin A; 4?-Hydroxy, O20-2-ethyl-4-methyl-3-pyrrolecarboxylate 	C32H44N2O7	568.314851	NA	MeJP	NA	NA
+MJ081774	Puberanidine; 9-Deoxy, N-Ac 	C32H44N2O7	568.314851	NA	MeJP	NA	NA
+MJ081775	Talatizamine; O18-De-Me, 18-O-(2-acetamidobenzoyl) 	C32H44N2O7	568.314851	NA	MeJP	NA	NA
+PJ005903	THRR 	C22H40N12O6	568.3194	NA	PeJP	NA	NA
+MJ081776	Dolichocurine 	C38H40N4O	568.320211	NA	MeJP	NA	NA
+MJ081777	Longicaudatine 	C38H40N4O	568.320211	NA	MeJP	NA	NA
+MJ081778	Strychnofuranine 	C38H40N4O	568.320211	NA	MeJP	NA	NA
+MJ081779	Toxiferine I; Bis(deoxy), di-N-de-Me, N4-oxide 	C38H40N4O	568.320211	NA	MeJP	NA	NA
+MJ081780	Toxiferine I; Monodeoxy, di-N-de-Me 	C38H40N4O	568.320211	NA	MeJP	NA	NA
+PJ005904	PPVKE 	C26H44N6O8	568.3221	NA	PeJP	NA	NA
+HMDB02430	(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid	C30H48O10	568.324768	NA	HMDB2010	NA	NA
+HMDB02596	Deoxycholic acid 3-glucuronide	C30H48O10	568.324768	NA	HMDB2010	NA	NA
+HMDB02430	(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid	C30H48O10	568.32477	http://www.hmdb.ca/metabolites/HMDB02430	HMDB	NA	NA
+HMDB02596	Deoxycholic acid 3-glucuronide	C30H48O10	568.32477	http://www.hmdb.ca/metabolites/HMDB02596	HMDB	NA	NA
+HMDB02430	(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid	C30H48O10	568.32477	HMDB02430	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02596	Deoxycholic acid 3-glucuronide	C30H48O10	568.32477	HMDB02596	PFEM_hmdb_metabocards_official	NA	NA
+MJ081781	Antibiotic PF 1070A 	C31H44N4O6	568.326085	NA	MeJP	NA	NA
+MJ081782	Antibiotic WF 3161 	C31H44N4O6	568.326085	NA	MeJP	NA	NA
+PJ005905	SPPLR 	C25H44N8O7	568.3333	NA	PeJP	NA	NA
+PJ005906	KKFF 	C30H44N6O5	568.3373	NA	PeJP	NA	NA
+C11977	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone	C34H48O7	568.34	NA	KEGG	NA	NA
+MJ081783	3,15-Dihydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid, Di-Ac 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081784	7-Labdene-2,15-diol, 2-Ac, 15-O-(4-acetoxy-3-methoxycinnamoyl) 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081785	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 12-(2,4-Decadienoyl), 13-(2-methylpropanoyl) 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081786	Antibiotic C 076; Antibiotic C 076IIb 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081787	Antibiotic VM 44866; 22-Deoxy 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081788	Bruceajavanin A 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081789	Milbemycin IV; 27-Hydroxy, 5-ketone 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081790	Milbemycin IV; 27-Oxo 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081791	Spirostane-2,3,5,6-tetrol, O2-Benzoyl 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081792	Spirostane-2,3,5,6-tetrol, O3-Benzoyl 	C34H48O7	568.340003	NA	MeJP	NA	NA
+MJ081793	Acobretine A; O8-De-Ac, O8-Et 	C33H48N2O6	568.351237	NA	MeJP	NA	NA
+MJ081794	Actinioerythrol 	C38H48O4	568.35526	NA	MeJP	NA	NA
+MJ081795	Chamone II 	C38H48O4	568.35526	NA	MeJP	NA	NA
+MJ081796	Sampsonione D 	C38H48O4	568.35526	NA	MeJP	NA	NA
+PJ005907	PVLLQ 	C27H48N6O7	568.3585	NA	PeJP	NA	NA
+MJ081797	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-(3-methylbutanoyl), 2-O-fucopyranoside 	C31H52O9	568.361133	NA	MeJP	NA	NA
+PJ005908	APLLR 	C26H48N8O6	568.3697	NA	PeJP	NA	NA
+MJ081798	3,22,24-Trihydroxy-12-oleanen-28-oic acid, 3-Ketone, 22-angeloyl 	C35H52O6	568.376389	NA	MeJP	NA	NA
+MJ081799	3,25-Epoxy-3,22-dihydroxy-12-oleanen-28-oic acid, 22-(3-Methyl-2-butenoyl) 	C35H52O6	568.376389	NA	MeJP	NA	NA
+MJ081800	3,25-Epoxy-3,22-dihydroxy-12-oleanen-28-oic acid, 22-Angeloyl 	C35H52O6	568.376389	NA	MeJP	NA	NA
+MJ081801	Manzamine A, 8-Hydroxy, 1,2,3,4-tetrahydro 	C36H48N4O2	568.377726	NA	MeJP	NA	NA
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR411	Zeaxanthine F3	NA	568.394475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR411	Zeaxanthine F3	NA	568.394475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR411	Zeaxanthine F3	NA	568.394475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR411	Zeaxanthine F3	NA	568.394475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR411	Zeaxanthine F3	F3	568.394475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ005909	PVLLK 	C28H52N6O6	568.3949	NA	PeJP	NA	NA
+MJ081802	Bengamide Z; 6-Deoxy, N-de-Me, 5'-O-tetradecanoyl 	C31H56N2O7	568.408752	NA	MeJP	NA	NA
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR414	Luteine F3	NA	568.422275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR414	Luteine F3	NA	568.422275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR414	Luteine F3	NA	568.422275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR414	Lutéine F3	F3	568.422275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR414	Luteine F3	NA	568.422275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR414	Luteine F3	F3	568.422275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR001	Lutein	C40H56O2	568.428	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR082	Zeaxanthin	C40H56O2	568.428	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR001	Lutein	C40H56O2	568.428	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR082	Zeaxanthin	C40H56O2	568.428	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR001	Lutein	C40H56O2	568.428	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR082	Zeaxanthin	C40H56O2	568.428	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR001	Lutein	C40H56O2	568.428	Wishlist	Inhousejuil11	NA	NA
+EUR082	Zeaxanthin	C40H56O2	568.428	Wishlist	Inhousejuil11	NA	NA
+C06098	Zeaxanthin	C40H56O2	568.428	NA	KEGG	NA	NA
+C08599	Lactucaxanthin	C40H56O2	568.428	NA	KEGG	NA	NA
+C08601	Lutein	C40H56O2	568.428	NA	KEGG	NA	NA
+C15933	Deoxymyxol	C40H56O2	568.428	NA	KEGG	NA	NA
+C16270	Rhodopinal	C40H56O2	568.428	NA	KEGG	NA	NA
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	HMDB	NA	NA
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	HMDB	NA	NA
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	Inhouse_PFEM	NA	NA
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	Inhouse_PFEM	NA	NA
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR001	Lutein	C40H56O2	568.42803	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR082	Zeaxanthin	C40H56O2	568.42803	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+MJ081803	Zeaxanthin 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081804	4'-Hydroxy-5',6'-dihydro-?,?-caroten-4-one 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081805	5,8-Epidioxy-5,8-dihydro-?,?-carotene 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081806	?,?-Carotene-2,2'-diol 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081807	?,?-Carotene-2,3-diol 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081808	?,?-Carotene-3,4-diol 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081809	?,?-Caroten-2-ol; 5?,6?-Epoxide 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081810	?,?-Carotene-2,3'-diol 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081811	?-Carotene diepoxide 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081812	?-Cryptoxanthin; 5'?,6'?-Epoxide 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081813	?-Cryptoxanthin; 5R,6S-Epoxide 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081814	Auroxanthin; 3,3'-Dideoxy 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081815	Capsanthin; 3-Deoxy 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081816	Ferrubietolide 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081817	Flexixanthin; 3-Deoxy, 3',4'-dihydro 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081818	Isozeaxanthin 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081819	Lutein 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081820	Luteochrome 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081821	Lycophyll 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081822	Micromonol; 3'-Deoxy, 3',4'-didehydro 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081823	Mutatochrome; 3-Hydroxy 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081824	Plectaniaxanthin 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081825	Rhodopinol; 20-Aldehyde 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081826	Rubichrome 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081827	Saproxanthin 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081828	Semi-?-carotenone 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081829	Semi-?-carotenone 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081830	Spheroidenone; O-De-Me 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081831	Tunaxanthin 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MJ081832	Zeaxanthin 	C40H56O2	568.428031	NA	MeJP	NA	NA
+MetaCyc03874	zeaxanthin [&beta;,&beta;-carotene-3,3'-diol;]	C40H56O2	568.428031	NA	metacyc	NA	NA
+MetaCyc03875	lutein []	C40H56O2	568.428031	NA	metacyc	NA	NA
+MetaCyc03876	lactucaxanthin [&epsilon;,&epsilon;-carotene-3,3'-diol;]	C40H56O2	568.428031	NA	metacyc	NA	NA
+HMDB02789	Zeaxanthin	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB02789	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03233	Lutein	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03233	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02198	(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB02198	HMDB	NA	NA
+HMDB02789	Zeaxanthin	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB02789	HMDB	NA	NA
+HMDB02950	(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB02950	HMDB	NA	NA
+HMDB03112	(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03112	HMDB	NA	NA
+HMDB03146	(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03146	HMDB	NA	NA
+HMDB03233	Lutein	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03233	HMDB	NA	NA
+HMDB03240	(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03240	HMDB	NA	NA
+HMDB03415	(3R,3'S,6'R)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03415	HMDB	NA	NA
+HMDB03451	(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03451	HMDB	NA	NA
+HMDB02789	Zeaxanthin	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB02789	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03233	Lutein	C40H56O2	568.42804	http://www.hmdb.ca/metabolites/HMDB03233	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02198	(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB02198	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02789	Zeaxanthin	C40H56O2	568.42804	HMDB02789	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02950	(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB02950	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03112	(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB03112	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03146	(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB03146	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03233	Lutein	C40H56O2	568.42804	HMDB03233	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03240	(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB03240	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03415	(3R,3'S,6'R)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB03415	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03451	(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	HMDB03451	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02198	(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB02789	Zeaxanthin	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB02950	(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB03112	(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB03146	(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB03233	Lutein	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB03240	(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB03415	(3R,3'S,6'R)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+HMDB03451	(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol	C40H56O2	568.42804	NA	HMDB2010	NA	NA
+MJ081833	Griseochelin 	C33H60O7	568.433904	NA	MeJP	NA	NA
+C15886	3,4-Dihydroanhydrorhodovibrin	C41H60O	568.4644	NA	KEGG	NA	NA
+C15900	Spheroidene	C41H60O	568.4644	NA	KEGG	NA	NA
+C15901	Galanin	C41H60O	568.4644	NA	KEGG	NA	NA
+MJ081834	Spheroidene 	C41H60O	568.464416	NA	MeJP	NA	NA
+MJ081835	15,16-Epoxy-8(17),13(16),14-labdatrien-19-oic acid, 19-Alcohol, 19-O-octadecanoyl 	C38H64O3	568.485545	NA	MeJP	NA	NA
+HMDB05200	DG(16:0/16:0/0:0)[rac]	C35H68O5	568.50665	http://www.hmdb.ca/metabolites/HMDB05200	HMDB	NA	NA
+HMDB05200	DG(16:0/16:0/0:0)[rac]	C35H68O5	568.50665	HMDB05200	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07013	DG(14:0/18:0/0:0)	C35H68O5	568.506653	NA	HMDB2010	NA	NA
+HMDB07098	DG(16:0/16:0/0:0)	C35H68O5	568.506653	NA	HMDB2010	NA	NA
+HMDB07153	DG(18:0/14:0/0:0)	C35H68O5	568.506653	NA	HMDB2010	NA	NA
+MJ081836	Glycerol 1,3-dialkanoates; Glycerol 1,3-dihexadecanoate 	C35H68O5	568.506675	NA	MeJP	NA	NA
+HMDB02262	Cholesteryl lauric acid	C39H68O2	568.52191	http://www.hmdb.ca/metabolites/HMDB02262	HMDB	NA	NA
+HMDB02262	Cholesteryl lauric acid	C39H68O2	568.52191	HMDB02262	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02262	CE(12:0)	C39H68O2	568.521912	NA	HMDB2010	NA	NA
+MJ081837	Sarcostigmer 	C36H72O4	568.54306	NA	MeJP	NA	NA
+7408	celiac sprue gluten epitope found in secalin	QQPQRPEQQ	568.7685	MH2+	Inhouse_peptide	NA	peptide
+3652	NA	KKWHKRKK	568.854	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc03877	oxidized watasenia luciferin []	C25H19N3O9S2	569.056271	NA	metacyc	NA	NA
+MJ081838	Rebeccamycin 	C27H21Cl2N3O7	569.075655	NA	MeJP	NA	NA
+PJ005910	CCDDD 	C18H27N5O12S2	569.1098	NA	PeJP	NA	NA
+C15343	HR1917	C26H23N7O4	569.1345	NA	KEGG	NA	NA
+PJ005911	CCCNQ 	C18H31N7O8S3	569.1396	NA	PeJP	NA	NA
+PJ005912	GGCCCQ 	C18H31N7O8S3	569.1397	NA	PeJP	NA	NA
+PJ005913	SCDDM 	C19H31N5O11S2	569.1462	NA	PeJP	NA	NA
+MJ081839	Lactonamycin 	C28H27NO12	569.153325	NA	MeJP	NA	NA
+PJ005914	GSSCCN 	C18H31N7O10S2	569.1574	NA	PeJP	NA	NA
+PJ005915	GCEMM 	C20H35N5O8S3	569.1648	NA	PeJP	NA	NA
+PJ005916	CCCNK 	C19H35N7O7S3	569.176	NA	PeJP	NA	NA
+PJ005917	GCDEF 	C23H31N5O10S	569.1792	NA	PeJP	NA	NA
+PJ005918	CMMW 	C24H35N5O5S3	569.1801	NA	PeJP	NA	NA
+MJ081840	Astin; Astin C 	C25H33Cl2N5O6	569.180789	NA	MeJP	NA	NA
+PJ005919	SSDMM 	C20H35N5O10S2	569.1826	NA	PeJP	NA	NA
+PJ005920	ACCHH 	C21H31N9O6S2	569.1839	NA	PeJP	NA	NA
+MJ081841	Daunomycin; N-Ac 	C29H31NO11	569.18971	NA	MeJP	NA	NA
+PJ005921	GCNNY 	C22H31N7O9S	569.1904	NA	PeJP	NA	NA
+PJ005922	CDFW 	C27H31N5O7S	569.1944	NA	PeJP	NA	NA
+PJ005923	GSDEY 	C23H31N5O12	569.1969	NA	PeJP	NA	NA
+MJ081842	Capuramycin 	C23H31N5O12	569.196921	NA	MeJP	NA	NA
+PJ005924	GPCMY 	C24H35N5O7S2	569.1978	NA	PeJP	NA	NA
+PJ005925	GTMMM 	C21H39N5O7S3	569.2012	NA	PeJP	NA	NA
+PJ005926	SSCHH 	C21H31N9O8S	569.2017	NA	PeJP	NA	NA
+PJ005927	SPDDH 	C22H31N7O11	569.2082	NA	PeJP	NA	NA
+PJ005928	SDYW 	C27H31N5O9	569.2122	NA	PeJP	NA	NA
+PJ005929	QEMY 	C24H35N5O9S	569.2156	NA	PeJP	NA	NA
+PJ005930	STTMM 	C21H39N5O9S2	569.2189	NA	PeJP	NA	NA
+PJ005931	GNNEH 	C21H31N9O10	569.2194	NA	PeJP	NA	NA
+MJ081843	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-(3-furancarbonyl), 1,8-di-Ac 	C30H35NO10	569.226096	NA	MeJP	NA	NA
+MJ081844	Aklavine 	C30H35NO10	569.226096	NA	MeJP	NA	NA
+MJ081845	Novobiocin; O-Decarbamoyl 	C30H35NO10	569.226096	NA	MeJP	NA	NA
+C09937	Celapanine	C30H35NO10	569.2261	NA	KEGG	NA	NA
+C12476	Descarbamoylnovobiocin	C30H35NO10	569.2261	NA	KEGG	NA	NA
+PJ005932	CERY 	C23H35N7O8S	569.2268	NA	PeJP	NA	NA
+PJ005933	AMYW 	C28H35N5O6S	569.2308	NA	PeJP	NA	NA
+PJ005934	GTTEY 	C24H35N5O11	569.2333	NA	PeJP	NA	NA
+PJ005935	AAMMF 	C25H39N5O6S2	569.2342	NA	PeJP	NA	NA
+PJ005936	NNHW 	C25H31N9O7	569.2347	NA	PeJP	NA	NA
+MJ081846	Verruculogen; 8?-Acetoxy 	C29H35N3O9	569.237329	NA	MeJP	NA	NA
+PJ005937	PMHW 	C27H35N7O5S	569.2421	NA	PeJP	NA	NA
+PJ005938	GVEEH 	C23H35N7O10	569.2446	NA	PeJP	NA	NA
+PJ005939	TTYW 	C28H35N5O8	569.2486	NA	PeJP	NA	NA
+PJ005940	KEMY 	C25H39N5O8S	569.252	NA	PeJP	NA	NA
+PJ005941	EEHR 	C22H35N9O9	569.2558	NA	PeJP	NA	NA
+PJ005942	VEHW 	C27H35N7O7	569.2598	NA	PeJP	NA	NA
+PJ005943	TMRY 	C24H39N7O7S	569.2632	NA	PeJP	NA	NA
+PJ005944	AFFW 	C32H35N5O5	569.2638	NA	PeJP	NA	NA
+PJ005945	GSNHR 	C21H35N11O8	569.267	NA	PeJP	NA	NA
+PJ005946	SSTLY 	C25H39N5O10	569.2697	NA	PeJP	NA	NA
+PJ005947	PPTQQ 	C24H39N7O9	569.2809	NA	PeJP	NA	NA
+PJ005948	ATLEH 	C24H39N7O9	569.281	NA	PeJP	NA	NA
+PJ005949	PKYY 	C29H39N5O7	569.285	NA	PeJP	NA	NA
+MJ081847	Gentamicin B; 1-N-[(S)-3-Amino-2-hydroxypropanoyl] 	C22H43N5O12	569.290821	NA	MeJP	NA	NA
+PJ005950	SPPNR 	C23H39N9O8	569.2922	NA	PeJP	NA	NA
+PJ005951	TFFR 	C28H39N7O6	569.2962	NA	PeJP	NA	NA
+MJ081848	Mithaconitine 	C32H43NO8	569.298867	NA	MeJP	NA	NA
+PJ005952	GLLMH 	C25H43N7O6S	569.2996	NA	PeJP	NA	NA
+7704	pyrokinin TENMO-PK-1	HVVNFTPRLG	569.30495	MH2+	Inhouse_peptide	NA	peptide
+PJ005953	STLLH 	C25H43N7O8	569.3173	NA	PeJP	NA	NA
+PJ005954	GGGGPLL 	C25H43N7O8	569.3174	NA	PeJP	NA	NA
+PJ005955	LKFY 	C30H43N5O6	569.3213	NA	PeJP	NA	NA
+MJ081849	Hysodricanine C 	C30H43N5O6	569.321334	NA	MeJP	NA	NA
+MJ081850	Sativanine D 	C30H43N5O6	569.321334	NA	MeJP	NA	NA
+PJ005956	PPPLF 	C30H43N5O6	569.3214	NA	PeJP	NA	NA
+PJ005957	PPLLM 	C27H47N5O6S	569.3247	NA	PeJP	NA	NA
+MJ081851	Leucylglycylprolylalanylglycylarginine 	C24H43N9O7	569.328544	NA	MeJP	NA	NA
+PJ005958	GPLQR 	C24H43N9O7	569.3286	NA	PeJP	NA	NA
+8202	ACE inhibitor	VIPEL	569.33	Dipeptides  ;SYN:L-Cysteinylglycine; N-L-Cysteinylglycine; N-L-cysteinyl-Glycine; N-cysteinyl Glycine; N-cysteinyl-Glycine;Cys-GlyH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ005959	AAPRR 	C23H43N11O6	569.3398	NA	PeJP	NA	NA
+PJ005960	PVLLE 	C27H47N5O8	569.3425	NA	PeJP	NA	NA
+EUR755	Lyso PC 20:2 [M+Na]+	C28H54NO7P	569.345738	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR755	Lyso PC 20:2 [M+Na]+	C28H54NO7P	569.345738	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR755	Lyso PC 20:2 [M+Na]+	C28H54NO7P	569.345738	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR755	Lyso PC 20:2 [M+Na]+	C28H54NO7P	569.345738	masses lipides attendues	Inhousejuil11	NA	NA
+EUR789	Lyso PC 22:5 monoisotopic mass 	C30H52NO7P	569.348142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR789	Lyso PC 22:5 monoisotopic mass 	C30H52NO7P	569.348142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR789	Lyso PC 22:5 monoisotopic mass 	C30H52NO7P	569.348142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR789	Lyso PC 22:5 monoisotopic mass 	C30H52NO7P	569.348142	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10402	LysoPC(22:5(4Z,7Z,10Z,13Z,16Z))	C30H52NO7P	569.348145	NA	HMDB2010	NA	NA
+HMDB10403	LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))	C30H52NO7P	569.348145	NA	HMDB2010	NA	NA
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR577	LysoPC(22:5)	[M+H]+	569.348175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR577	LysoPC(22:5)	[M+H]+	569.348175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR577	LysoPC(22:5)	[M+H]+	569.348175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR577	LysoPC(22:5)	NA	569.348175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR577	LysoPC(22:5)	[M+H]+	569.348175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR577	LysoPC(22:5)	NA	569.348175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ081852	Janthitrem E; 22,34-Dideoxy, 34,35-didehydro 	C37H47NO4	569.350508	NA	MeJP	NA	NA
+PJ005961	PPTKK 	C26H47N7O7	569.3537	NA	PeJP	NA	NA
+PJ005962	GPLKR 	C25H47N9O6	569.365	NA	PeJP	NA	NA
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR598	LysoPC(18:0)	[M+FA-H]-	569.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR672	Lyso PC 18:0 [M+FA-H]-	C26H54NO7P	569.368672	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR672	Lyso PC 18:0 [M+FA-H]-	C26H54NO7P	569.368672	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR672	Lyso PC 18:0 [M+FA-H]-	C26H54NO7P	569.368672	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR672	Lyso PC 18:0 [M+FA-H]-	C26H54NO7P	569.368672	masses lipides attendues	Inhousejuil11	NA	NA
+EUR708	Lyso PE (20:0) [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR863	Lyso PE 20:0 [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR708	Lyso PE (20:0) [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR863	Lyso PE 20:0 [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR708	Lyso PE (20:0) [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR863	Lyso PE 20:0 [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR708	Lyso PE (20:0) [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	Inhousejuil11	NA	NA
+EUR863	Lyso PE 20:0 [M-H+acetate]-	C25H52NO7P	569.369242	masses lipides attendues	Inhousejuil11	NA	NA
+PJ005963	PVVKK 	C27H51N7O6	569.3901	NA	PeJP	NA	NA
+PJ005964	VLLLL 	C29H55N5O6	569.4153	NA	PeJP	NA	NA
+MJ081853	2-Amino-1,3,4-tetradecanetriol, N-Heneicosanoyl 	C35H71NO4	569.538309	NA	MeJP	NA	NA
+MJ081854	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-21-methyldocosanoyl) 	C33H79NO5	569.595824	NA	MeJP	NA	NA
+MJ081855	Zinc(II) citrate 	C12H10O14Zn3	569.794494	NA	MeJP	NA	NA
+7483	ACE inhibitor (fr, of as1-casein, 1-9)	RPKHPIKHQ	569.8255	MH2+	Inhouse_peptide	NA	peptide
+MJ081856	Echinosulfonic acid C; 1''-Me ether 	C20H16Br2N2O6S	569.909582	NA	MeJP	NA	NA
+MJ081857	C.I. Reactive Red 2 	C19H12Cl2N6O7S2	569.958593	NA	MeJP	NA	NA
+MJ081858	?-Rubromycin; 3,3',4-Trihydroxy 	C26H18O15	570.064569	NA	MeJP	NA	NA
+MJ081859	3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081860	3',4',4''',5,5'',5''',7,7''-Octahydroxy-8,3'''-biflavone 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081861	Aulacomniumbiaureusidin 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081862	Aurofusarin 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081863	Biaureusidin 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081864	Bryoflavone 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081865	Dicatenarin 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081866	Dicranolomin 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081867	Heterobryoflavone 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081868	Lupinalbisone A 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081869	Lupinalbisone B 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081870	Robustaflavone; 3',5'''-Dihydroxy 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081871	Skyrin, 1'',1'''-Dihydroxy 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081872	Vahliabiflavone 	C30H18O12	570.079826	NA	MeJP	NA	NA
+MJ081873	Xanthomegnin; 3,4,3',4'-Tetradehydro 	C30H18O12	570.079826	NA	MeJP	NA	NA
+C12557	Cefepime hydrochloride	C19H25N6O5S2	570.0889	NA	KEGG	NA	NA
+C12558	Transferred to D01158	C19H25N6O5S2	570.0889	NA	KEGG	NA	NA
+C12559	Transferred to D01159	C19H25N6O5S2	570.0889	NA	KEGG	NA	NA
+FL5FAAGS0045	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)	C27H22O14	570.10095	149998-42-5	knapsack	NA	NA
+MJ081874	3,4',5,7-Tetrahydroxyflavone; 3-O-[2-O-(3,4,5-Trihydroxybenzoyl)-?-L-arabinopyranoside] 	C27H22O14	570.100955	NA	MeJP	NA	NA
+MJ081875	Morelloflavone, 3'''-Me ether 	C31H22O11	570.116211	NA	MeJP	NA	NA
+PJ005965	CCCNE 	C18H30N6O9S3	570.1237	NA	PeJP	NA	NA
+PJ005966	GCCCW 	C22H30N6O6S3	570.1389	NA	PeJP	NA	NA
+PJ005967	GSSCCD 	C18H30N6O11S2	570.1414	NA	PeJP	NA	NA
+MJ081876	Amentoflavone; 2,2'',3,3''-Tetrahydro, 7,7''-di-Me ether 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081877	Anhydroflavomannin-9,10-quinone; 3,3'-Di-Me ether 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081878	Anhydrophlegmacin-9,10-quinone A2 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081879	Anhydropseudophlegmacin 9,10-quinone 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081880	Asperinine A 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081881	Aurasperone A 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081882	Chamaejasmin, 4',4'''-Di-Me ether 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081883	Fonsecinone A 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081884	Hinokiflavone; 2,2'',3,3''-Tetrahydro(S,S-), 7,7''-di-Me ether 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081885	Isoaurasperone A 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081886	Isonigerone 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081887	Mesuaferrone A; 4',4'''-Di-Me ether 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081888	Nigerone 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081889	Presengulone 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081890	Torosanin; 10'-Oxo 	C32H26O10	570.152597	NA	MeJP	NA	NA
+MJ081891	Fuzlocillin 	C25H26N6O8S	570.153282	NA	MeJP	NA	NA
+MJ081892	Ligustrosidic acid; 3''-Hydroxy 	C25H30O15	570.15847	NA	MeJP	NA	NA
+PJ005968	SCCQM 	C19H34N6O8S3	570.16	NA	PeJP	NA	NA
+PJ005969	GGTCCM 	C19H34N6O8S3	570.1601	NA	PeJP	NA	NA
+PJ005970	SCCCR 	C18H34N8O7S3	570.1713	NA	PeJP	NA	NA
+MJ081893	Aloesin; 2'-O-(4-Hydroxy-3-methoxycinnamoyl) 	C29H30O12	570.173726	NA	MeJP	NA	NA
+MJ081894	Aloesin; 7-Me ether, 2'-O-(3,4-dihydroxy-E-cinnamoyl) 	C29H30O12	570.173726	NA	MeJP	NA	NA
+MJ081895	Rutaretin, 1'-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C29H30O12	570.173726	NA	MeJP	NA	NA
+MJ081896	Sweroside; 2'-O-(3,3'-Dihydroxy-2-biphenylcarboxylate) 	C29H30O12	570.173726	NA	MeJP	NA	NA
+PJ005971	GCNDY 	C22H30N6O10S	570.1744	NA	PeJP	NA	NA
+PJ005972	GSSSCM 	C19H34N6O10S2	570.1778	NA	PeJP	NA	NA
+MJ081897	Pteroylglutamic acid; Homologue (n = 2) 	C24H26N8O9	570.182274	NA	MeJP	NA	NA
+MJ081898	Cordifoline; Deoxy 	C28H30N2O11	570.184959	NA	MeJP	NA	NA
+FL4DRNNR0001	Sanggenon B	C33H30O9	570.18898	81381-67-1	knapsack	NA	NA
+MJ081899	Sanggenon B 	C33H30O9	570.188982	NA	MeJP	NA	NA
+PJ005973	GCNMF 	C23H34N6O7S2	570.1931	NA	PeJP	NA	NA
+MJ081900	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081901	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081902	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081903	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081904	Dihydrooroselol, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081905	Oleuropein; ?-Methoxy (R-) 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081906	Oleuropein; ?-Methoxy (S-) 	C26H34O14	570.194855	NA	MeJP	NA	NA
+MJ081907	Rutaretin; 9-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H34O14	570.194855	NA	MeJP	NA	NA
+C09257	Decuroside III	C26H34O14	570.1949	NA	KEGG	NA	NA
+PJ005974	SSSSTC 	C19H34N6O12S	570.1956	NA	PeJP	NA	NA
+PJ005975	SCCKM 	C20H38N6O7S3	570.1964	NA	PeJP	NA	NA
+PJ005976	EEMY 	C24H34N4O10S	570.1996	NA	PeJP	NA	NA
+PJ005977	GNDEH 	C21H30N8O11	570.2034	NA	PeJP	NA	NA
+MJ081908	Bistratamide A 	C27H34N6O4S2	570.208294	NA	MeJP	NA	NA
+MJ081909	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucopyranoside] 	C30H34O11	570.210111	NA	MeJP	NA	NA
+MJ081910	8,15-Dihydroxy-2-oxo-3,11(13)-guaiadien-12,6-olide, 8-(3-Phenylpropenoyl), 15-O-?-D-glucopyranoside 	C30H34O11	570.210111	NA	MeJP	NA	NA
+MJ081911	Gigasol 	C30H34O11	570.210111	NA	MeJP	NA	NA
+MJ081912	Lappaol E; 7'R-Hydroxy 	C30H34O11	570.210111	NA	MeJP	NA	NA
+PJ005978	GSNMY 	C23H34N6O9S	570.2108	NA	PeJP	NA	NA
+PJ005979	NDHW 	C25H30N8O8	570.2187	NA	PeJP	NA	NA
+MJ081913	Aplidite A; 12-Hydroxy, 15-Ac 	C29H34N2O10	570.221345	NA	MeJP	NA	NA
+MJ081914	Aplidite A; Geom. isomer, 12-acetoxy 	C29H34N2O10	570.221345	NA	MeJP	NA	NA
+MJ081915	Aplidite A; Geom. isomer, 12-hydroxy, 15-Ac 	C29H34N2O10	570.221345	NA	MeJP	NA	NA
+PJ005980	SPCQH 	C22H34N8O8S	570.2221	NA	PeJP	NA	NA
+MJ081916	6-Chloro-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 14-Butanoyl, 2,9-di-Ac 	C28H39ClO10	570.223175	NA	MeJP	NA	NA
+MJ081917	5,6,7-Trihydroxy-2-vouacapen-19-oic acid, 6,7-Dibenzoyl 	C34H34O8	570.225368	NA	MeJP	NA	NA
+MJ081918	Iryantherin I 	C34H34O8	570.225368	NA	MeJP	NA	NA
+MJ081919	Staurosporine; 4'-N-Benzoyl 	C35H30N4O4	570.226705	NA	MeJP	NA	NA
+PJ005981	SSSQY 	C23H34N6O11	570.2286	NA	PeJP	NA	NA
+MJ081920	Tetronothiodin 	C31H38O8S	570.228738	NA	MeJP	NA	NA
+PJ005982	ACCKF 	C24H38N6O6S2	570.2295	NA	PeJP	NA	NA
+MJ081921	Diathymosulfone 	C32H34N4O4S	570.230076	NA	MeJP	NA	NA
+MJ081922	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C27H38O13	570.231241	NA	MeJP	NA	NA
+MJ081923	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C27H38O13	570.231241	NA	MeJP	NA	NA
+MJ081924	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,8-olide, O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H38O13	570.231241	NA	MeJP	NA	NA
+MJ081925	Abelioside B; 7-Ac 	C27H38O13	570.231241	NA	MeJP	NA	NA
+MJ081926	Arbutin; 2-O-[6?-Hydroxy-2,6-dimethyl-2,7-octadienoyl-(?5)-?-D-apiofuranosyl] 	C27H38O13	570.231241	NA	MeJP	NA	NA
+MJ081927	Laciniatoside III 	C27H38O13	570.231241	NA	MeJP	NA	NA
+MJ081928	Antibiotic TMC 2A 	C28H34N4O9	570.232578	NA	MeJP	NA	NA
+PJ005983	PEYY 	C28H34N4O9	570.2326	NA	PeJP	NA	NA
+PJ005984	MHHF 	C26H34N8O5S	570.2373	NA	PeJP	NA	NA
+PJ005985	GTQEH 	C22H34N8O10	570.2398	NA	PeJP	NA	NA
+PJ005986	GPPDW 	C27H34N6O8	570.2438	NA	PeJP	NA	NA
+MJ081929	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 11-Ketone, 1-benzoyl, 2,3-di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081930	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6-Benzoyl, 11,19-di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081931	4,18:8,13-Diepoxy-6,11,19-trihydroxy-15,16-clerodanolide, 6-Benzoyl, 11,19-di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081932	5,20-Epoxy-1,2,4,7,10-pentahydroxy-11-taxen-9-one, 2-Benzoyl, 4,10-di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081933	5,20-Epoxy-2,4,7,10,13-pentahydroxy-11-taxen-9-one, 2-Benzoyl, 4,10-di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081934	5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 11,14-Diketone, 3-benzoyl, 7,9-di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081935	Dysoxylone 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081936	Nymania 3 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081937	Phomoidride A 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081938	Picrajavanin A; 2-Debenzoyl, 2-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081939	Polystachin; 11-O-Deformyl 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081940	Rohituka 13; 15-De-Ac, 15-ketone 	C31H38O10	570.246497	NA	MeJP	NA	NA
+MJ081941	Swietenolide; Di-Ac 	C31H38O10	570.246497	NA	MeJP	NA	NA
+PJ005987	GTCKY 	C24H38N6O8S	570.2472	NA	PeJP	NA	NA
+PJ005988	GSDHR 	C21H34N10O9	570.2511	NA	PeJP	NA	NA
+MJ081942	Benthophoenin 	C37H34N2O4	570.251857	NA	MeJP	NA	NA
+MJ081943	Urabaine; N-Me 	C37H34N2O4	570.251857	NA	MeJP	NA	NA
+PJ005989	TQHW 	C26H34N8O7	570.2551	NA	PeJP	NA	NA
+PJ005990	GVQMH 	C23H38N8O7S	570.2584	NA	PeJP	NA	NA
+PJ005991	GGGLMH 	C23H38N8O7S	570.2585	NA	PeJP	NA	NA
+FL3FRNND0003	Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one	C35H38O7	570.26175	223386-73-0	knapsack	NA	NA
+MJ081944	Artoindonesianin A 	C35H38O7	570.261753	NA	MeJP	NA	NA
+MJ081945	Iryantherin B 	C35H38O7	570.261753	NA	MeJP	NA	NA
+PJ005992	SSSKY 	C24H38N6O10	570.265	NA	PeJP	NA	NA
+MJ081946	11-Taxen-2,4,5,7,9,10,13,20-octol, 7,9,10,13-Tetra-Ac 	C28H42O12	570.267626	NA	MeJP	NA	NA
+MJ081947	Saframycin Mx 2 	C29H38N4O8	570.268964	NA	MeJP	NA	NA
+PJ005993	LEFY 	C29H38N4O8	570.269	NA	PeJP	NA	NA
+PJ005994	QMHR 	C22H38N10O6S	570.2697	NA	PeJP	NA	NA
+3485	ACE inhibitors derived from yeast GADPH	PANLPWGSSNV	570.2714	MH2+	Inhouse_peptide	NA	peptide
+MJ081948	Chaetoglobosin A; O-Ac 	C34H38N2O6	570.272986	NA	MeJP	NA	NA
+MJ081949	Chaetoglobosin B; 19-Ac 	C34H38N2O6	570.272986	NA	MeJP	NA	NA
+MJ081950	Chaetoglobosin D; 19-Ac 	C34H38N2O6	570.272986	NA	MeJP	NA	NA
+MJ081951	Pipercyclobutanamide A 	C34H38N2O6	570.272986	NA	MeJP	NA	NA
+MJ081952	Scopadonnine 	C34H38N2O6	570.272986	NA	MeJP	NA	NA
+PJ005995	SPPDR 	C23H38N8O9	570.2762	NA	PeJP	NA	NA
+PJ005996	APPTW 	C28H38N6O7	570.2802	NA	PeJP	NA	NA
+PJ005997	CHRR 	C21H38N12O5S	570.2809	NA	PeJP	NA	NA
+MJ081953	12-Hydroxyvilasinin; 1,3,12-Tri-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081954	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(5-Carboxypentanoyl), 16-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081955	17-Hydroxyingenol; 3,17-Diangeloyl, 20-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081956	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 3,7-Diketone, 12-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081957	5,6-Epoxy-4,12,16-trihydroxy-1-oxowitha-2,24-dienolide, 12,16-Di-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081958	5,6-Epoxy-4,16,18-trihydroxy-1-oxowitha-2,24-dienolide, 16,18-Di-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081959	6,6'-(Oxyethylidene)bis[5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran] 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081960	Ardisiaquinone B; Mono-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081961	Detigloylswietenine; 3-(2-Methylbutanoyl) 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081962	Havanensin; 16-Oxo, tri-Ac 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081963	Kihadalactone A; 6?-Acetoxy 	C32H42O9	570.282882	NA	MeJP	NA	NA
+MJ081964	Xyloccensin G; 30-Deacyloxy 	C32H42O9	570.282882	NA	MeJP	NA	NA
+PJ005998	PPVQM 	C25H42N6O7S	570.2836	NA	PeJP	NA	NA
+PJ005999	GTTHR 	C22H38N10O8	570.2874	NA	PeJP	NA	NA
+PJ006000	GGGGAPR 	C22H38N10O8	570.2875	NA	PeJP	NA	NA
+PJ006001	TKHW 	C27H38N8O6	570.2914	NA	PeJP	NA	NA
+MJ081965	Magireol B 	C30H51BrO5	570.291987	NA	MeJP	NA	NA
+MJ081966	Pacifidine; O8-Me 	C31H42N2O8	570.294116	NA	MeJP	NA	NA
+MJ081967	Puberanidine; O1-De-Me, N-Ac 	C31H42N2O8	570.294116	NA	MeJP	NA	NA
+PJ006002	APPMR 	C24H42N8O6S	570.2948	NA	PeJP	NA	NA
+MJ081968	3'-(8,17-Epoxy-16-oxo-12,14-labdadien-15-yl)-2',4'-dihydroxy-6'-methoxychalcone 	C36H42O6	570.298139	NA	MeJP	NA	NA
+PJ006003	PPTKE 	C25H42N6O9	570.3014	NA	PeJP	NA	NA
+MJ081969	2,3-Epoxy-7(14)-bisabolene-1,4,5,8,10,11-hexol; 5,8,10-Tris(2-methylpropanoyl), 4-Ac 	C29H46O11	570.304012	NA	MeJP	NA	NA
+PJ006004	LLYY 	C30H42N4O7	570.3054	NA	PeJP	NA	NA
+PJ006005	KMHR 	C23H42N10O5S	570.3061	NA	PeJP	NA	NA
+PJ006006	GPLER 	C24H42N8O8	570.3126	NA	PeJP	NA	NA
+PJ006007	GPVLW 	C29H42N6O6	570.3166	NA	PeJP	NA	NA
+MJ081970	1-[7-(2-Hexyl-3-methylcyclopropyl)heptyl]lysoplasmanylinositol 	C26H51O11P	570.316898	NA	MeJP	NA	NA
+MJ081971	3,8,11,12,14-Pentahydroxypregnan-20-one, 11(12)-Benzoyl, 12(11)-(3-methylbutanoyl) 	C33H46O8	570.319268	NA	MeJP	NA	NA
+MJ081972	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2,4-Undecadienoyl), 13-Ac 	C33H46O8	570.319268	NA	MeJP	NA	NA
+MJ081973	Deoxyazadirachtolide; 23-Oxo 	C33H46O8	570.319268	NA	MeJP	NA	NA
+MJ081974	Taonia hemilactal; Tri-Ac 	C33H46O8	570.319268	NA	MeJP	NA	NA
+MJ081975	Vilasinin; 20,21,22,23-Tetrahydro, 23-oxo, 7-tigloyl, 3-Ac 	C33H46O8	570.319268	NA	MeJP	NA	NA
+C11963	Avermectin B1b aglycone	C33H46O8	570.3193	NA	KEGG	NA	NA
+PJ006008	PPVKM 	C26H46N6O6S	570.32	NA	PeJP	NA	NA
+PJ006009	GPNKR 	C23H42N10O7	570.3238	NA	PeJP	NA	NA
+PJ006010	PLRW 	C28H42N8O5	570.3278	NA	PeJP	NA	NA
+MJ081976	Pyrrhoxanthinol 	C37H46O5	570.334524	NA	MeJP	NA	NA
+MJ081977	Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro 	C38H42N4O	570.335861	NA	MeJP	NA	NA
+MJ081978	Longicaudatine; 19',20'?-Dihydro 	C38H42N4O	570.335861	NA	MeJP	NA	NA
+MJ081979	Matopensine 	C38H42N4O	570.335861	NA	MeJP	NA	NA
+PJ006011	PVVKE 	C26H46N6O8	570.3377	NA	PeJP	NA	NA
+MJ081980	Byssomeruliol A; 12'-Deoxy, 14'-O-D-mannopyranoside 	C30H50O10	570.340397	NA	MeJP	NA	NA
+PJ006012	SPVLR 	C25H46N8O7	570.349	NA	PeJP	NA	NA
+MJ081981	2,3,18-Trihydroxy-5,12-oleanadien-28-oic acid, 2,3-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081982	21,23-Epoxy-1,7-dihydroxy-3,4-secoapotirucalla-4(28),14,24-trien-3-oic acid, Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081983	3,13,16-Trihydroxy-23-oxo-28-oleananoic acid, 28?13 Lactone, 3,16-di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081984	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,15-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081985	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 15,22-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081986	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,22-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081987	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,15-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081988	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 15,22-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081989	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, 3,22-Di-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081990	3,17,25-Trihydroxy-12-oxo-13,15,20(22),23-isomalabaricatetraen-29-oic acid, 17,25-Di-Me ether, 3-Ac 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081991	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-(3-Carboxypropanoyl) 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081992	5-Methyl-2-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-benzoquinone; Hydroquinone, 4-O-(4-O-acetyl-?-D-arabinopyranoside) 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081993	Amphidinolide U 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081994	Antibiotic C 076; Antibiotic C 076IIa 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081995	Bruceajavanin A; 1,2-Dihydro 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081996	Milbemycin D; O5-Me 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081997	Quercinic acid; 24,31-Didehydro, 3-carboxyacetyl 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081998	Stowardolic acid; 3-[(Carboxyacetyl)oxy] 	C34H50O7	570.355653	NA	MeJP	NA	NA
+MJ081999	Chamone I 	C38H50O4	570.37091	NA	MeJP	NA	NA
+MJ082000	Spiritone 	C38H50O4	570.37091	NA	MeJP	NA	NA
+MJ082001	Weddellianone B 	C38H50O4	570.37091	NA	MeJP	NA	NA
+PJ006013	PTLLK 	C27H50N6O7	570.3741	NA	PeJP	NA	NA
+PJ006014	GLLLR 	C26H50N8O6	570.3854	NA	PeJP	NA	NA
+MJ082002	Bengamide Z; N-De-Me, 6-O-tridecanoyl 	C30H54N2O8	570.388016	NA	MeJP	NA	NA
+MJ082003	12-Hydroxy-20,24-dimethyl-24-oxo-16-scalaren-25-al, 12-(3-Propanoyloxypentanoyl) 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082004	2,3-Dihydroxy-12-oleanen-28-oic acid, Di-Ac, Me ester 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082005	2,3-Dihydroxy-12-ursen-28-oic acid, Di-Ac, Me ester 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082006	3,16-Dihydroxy-24-methylenelanost-8-en-21-oic acid, Di-Ac 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082007	3,22,24-Trihydroxy-12-oleanen-28-oic acid, 22-Angeloyl 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082008	3,23-Dihydroxy-12-oleanen-28-oic acid, Di-Ac, Me ester 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082009	3,27-Dihydroxy-20(29)-lupen-28-oic acid, Di-Ac, Me ester 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082010	3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 1'-O-Hexadecanoyl 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082011	Glabretal; 7-Deacetyl, 3-tigloyl 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082012	Hericenone F 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082013	Nidohottin 	C35H54O6	570.392039	NA	MeJP	NA	NA
+MJ082014	2-Octaprenyl-6-methoxy-1,4-benzoquinone 	C39H54O3	570.407295	NA	MeJP	NA	NA
+MJ082015	3-Octaprenyl-4-hydroxybenzoate 	C39H54O3	570.407295	NA	MeJP	NA	NA
+PJ006015	VVLLK 	C28H54N6O6	570.4105	NA	PeJP	NA	NA
+HMDB02746	cis-5,6-dihydro-5,6-dihydroxy-Carotene	C40H58O2	570.44366	http://www.hmdb.ca/metabolites/HMDB02746	HMDB	NA	NA
+HMDB02746	cis-5,6-dihydro-5,6-dihydroxy-Carotene	C40H58O2	570.44366	HMDB02746	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02746	cis-5,6-Dihydro-5,6-dihydroxy-carotene	C40H58O2	570.443665	NA	HMDB2010	NA	NA
+MJ082016	4'-Hydroxy-5,6,5',6',-tetrahydro-?,?-caroten-4-one 	C40H58O2	570.443681	NA	MeJP	NA	NA
+MJ082017	5-Hydroxy-5,6-seco-?,?-caroten-6-one 	C40H58O2	570.443681	NA	MeJP	NA	NA
+MJ082018	Lutein; 7',8'-Dihydro 	C40H58O2	570.443681	NA	MeJP	NA	NA
+MJ082019	Podototarin 	C40H58O2	570.443681	NA	MeJP	NA	NA
+MJ082020	Rhodopinol 	C40H58O2	570.443681	NA	MeJP	NA	NA
+MJ082021	Zeaxanthin; 7',8'-Dihydro 	C40H58O2	570.443681	NA	MeJP	NA	NA
+MJ082022	Spheroidene; 11',12'-Dihydro 	C41H62O	570.480066	NA	MeJP	NA	NA
+C15895	3,4-Dihydrospheroidene	C41H62O	570.4801	NA	KEGG	NA	NA
+C15897	Fibrinogen binding inhibitor peptide	C41H62O	570.4801	NA	KEGG	NA	NA
+C08217	Iopanoic acid	C11H12I3NO2	570.8002	NA	KEGG	NA	NA
+C08218	Transferred to D01015	C11H12I3NO2	570.8002	NA	KEGG	NA	NA
+MJ082023	Iopanoic acid 	C11H12I3NO2	570.800208	NA	MeJP	NA	NA
+C03888	Oxidized Watasenia luciferin	C25H21N3O9S2	571.0719	NA	KEGG	NA	NA
+C03889	Palmitoylphosphatidylcholine	C25H49NO8PR	571.0719	NA	KEGG	NA	NA
+C03890	Peptide(N-Glu, Asp, Cystine)	C15H23N4O10S2R	571.0719	NA	KEGG	NA	NA
+C03892	Phosphatidylglycerophosphate	C8H14O13P2R2	571.0719	NA	KEGG	NA	NA
+C03893	Poly(alpha-L-1,4-guluronate)	C8H14O13P2R2	571.0719	NA	KEGG	NA	NA
+MJ082024	Watasenia Oxyluciferin 	C25H21N3O9S2	571.07192	NA	MeJP	NA	NA
+MJ082025	2-Hydroxy-2-phenylethyl glucosinolate, 2-O-?-L-Arabinopyranoside 	C20H29NO14S2	571.102946	NA	MeJP	NA	NA
+MJ082026	4-Hydroxybenzyl glucosinolate; 4-O-?-L-Rhamnopyranoside 	C20H29NO14S2	571.102946	NA	MeJP	NA	NA
+MJ082027	Isoglucosinalbin; O-?-L-Rhamnopyranoside 	C20H29NO14S2	571.102946	NA	MeJP	NA	NA
+PJ006016	CCCDE 	C18H29N5O10S3	571.1077	NA	PeJP	NA	NA
+PJ006017	SCCEM 	C19H33N5O9S3	571.1441	NA	PeJP	NA	NA
+PJ006018	GCDDY 	C22H29N5O11S	571.1585	NA	PeJP	NA	NA
+PJ006019	PCCCF 	C23H33N5O6S3	571.1593	NA	PeJP	NA	NA
+MJ082028	Cyclochlorotine 	C24H31Cl2N5O7	571.160053	NA	MeJP	NA	NA
+MJ082029	Islanditoxin 	C24H31Cl2N5O7	571.160053	NA	MeJP	NA	NA
+PJ006020	GCMMM 	C20H37N5O6S4	571.1627	NA	PeJP	NA	NA
+PJ006021	SPCCY 	C23H33N5O8S2	571.1771	NA	PeJP	NA	NA
+PJ006022	STCMM 	C20H37N5O8S3	571.1804	NA	PeJP	NA	NA
+PJ006023	GDDEH 	C21H29N7O12	571.1875	NA	PeJP	NA	NA
+PJ006024	GSDMY 	C23H33N5O10S	571.1948	NA	PeJP	NA	NA
+PJ006025	DDHW 	C25H29N7O9	571.2027	NA	PeJP	NA	NA
+PJ006026	SPCEH 	C22H33N7O9S	571.2061	NA	PeJP	NA	NA
+PJ006027	TCYW 	C27H33N5O7S	571.2101	NA	PeJP	NA	NA
+PJ006028	SSSEY 	C23H33N5O12	571.2126	NA	PeJP	NA	NA
+PJ006029	QMMY 	C24H37N5O7S2	571.2135	NA	PeJP	NA	NA
+PJ006030	GNNMH 	C21H33N9O8S	571.2173	NA	PeJP	NA	NA
+PJ006031	GTEEH 	C22H33N7O11	571.2238	NA	PeJP	NA	NA
+PJ006032	CMRY 	C23H37N7O6S2	571.2247	NA	PeJP	NA	NA
+PJ006033	NEFY 	C27H33N5O9	571.2278	NA	PeJP	NA	NA
+PJ006034	GGEFY 	C27H33N5O9	571.2279	NA	PeJP	NA	NA
+PJ006035	GTTMY 	C24H37N5O9S	571.2312	NA	PeJP	NA	NA
+MJ082030	1-N-Amidino-1-N-demethyl-2-hydroxydestomycin A 	C20H37N5O14	571.2337	NA	MeJP	NA	NA
+PJ006036	SSNQH 	C21H33N9O10	571.2351	NA	PeJP	NA	NA
+PJ006037	TEHW 	C26H33N7O8	571.2391	NA	PeJP	NA	NA
+PJ006038	GVEMH 	C23H37N7O8S	571.2425	NA	PeJP	NA	NA
+PJ006039	GFYW 	C31H33N5O6	571.2431	NA	PeJP	NA	NA
+PJ006040	QMFF 	C28H37N5O6S	571.2465	NA	PeJP	NA	NA
+PJ006041	STTTY 	C24H37N5O11	571.249	NA	PeJP	NA	NA
+PJ006042	KMMY 	C25H41N5O6S2	571.2498	NA	PeJP	NA	NA
+PJ006043	EMHR 	C22H37N9O7S	571.2537	NA	PeJP	NA	NA
+PJ006044	VMHW 	C27H37N7O5S	571.2577	NA	PeJP	NA	NA
+PJ006045	SSLEH 	C23H37N7O10	571.2602	NA	PeJP	NA	NA
+PJ006046	AAHHH 	C24H33N11O6	571.2616	NA	PeJP	NA	NA
+PJ006047	VQYY 	C28H37N5O8	571.2642	NA	PeJP	NA	NA
+7848	NA	YPFF~	571.267	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006048	PPVEM 	C25H41N5O8S	571.2676	NA	PeJP	NA	NA
+MJ082031	Butirosin A; 2S-Hydroxy 	C21H41N5O13	571.270086	NA	MeJP	NA	NA
+PJ006049	SSNKH 	C22H37N9O9	571.2714	NA	PeJP	NA	NA
+PJ006050	GPNER 	C22H37N9O9	571.2715	NA	PeJP	NA	NA
+PJ006051	AAPQW 	C27H37N7O7	571.2755	NA	PeJP	NA	NA
+MJ082032	Hetisan-2,3,11,13,14-pentol, 2-O-(2-Methylbutanoyl), 3,11,13-tri-Ac 	C31H41NO9	571.278131	NA	MeJP	NA	NA
+MJ082033	Pyroaconitine; N-De-Et, N-Me 	C31H41NO9	571.278131	NA	MeJP	NA	NA
+PJ006052	ATLMH 	C24H41N7O7S	571.2788	NA	PeJP	NA	NA
+PJ006053	GAPPCK 	C24H41N7O7S	571.2789	NA	PeJP	NA	NA
+HMDB05774	Endomorphin-2	C32H37N5O5	571.27948	http://www.hmdb.ca/metabolites/HMDB05774	HMDB	NA	NA
+HMDB05774	Endomorphin-2	C32H37N5O5	571.27948	HMDB05774	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05774	Endomorphin-2	C32H37N5O5	571.27948	NA	HMDB2010	NA	NA
+PJ006054	KMFF 	C29H41N5O5S	571.2829	NA	PeJP	NA	NA
+PJ006055	PVVEE 	C25H41N5O10	571.2854	NA	PeJP	NA	NA
+PJ006056	PNRW 	C26H37N9O6	571.2867	NA	PeJP	NA	NA
+PJ006057	GCKKH 	C23H41N9O6S	571.2901	NA	PeJP	NA	NA
+EUR917	Lyso PE 22:6 [M+FA-H]-	C27H44NO7P	571.290422	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR917	Lyso PE 22:6 [M+FA-H]-	C27H44NO7P	571.290422	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR917	Lyso PE 22:6 [M+FA-H]-	C27H44NO7P	571.290422	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR917	Lyso PE 22:6 [M+FA-H]-	C27H44NO7P	571.290422	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006058	TTTLH 	C24H41N7O9	571.2966	NA	PeJP	NA	NA
+PJ006059	VKYY 	C29H41N5O7	571.3006	NA	PeJP	NA	NA
+MJ082034	Butikacin 	C22H45N5O12	571.306471	NA	MeJP	NA	NA
+PJ006060	GPDKR 	C23H41N9O8	571.3078	NA	PeJP	NA	NA
+PJ006061	AAPKW 	C28H41N7O6	571.3119	NA	PeJP	NA	NA
+MJ082035	Browniine; O14-Benzoyl 	C32H45NO8	571.314517	NA	MeJP	NA	NA
+MJ082036	Senbusine A; O1-Me, 14-O-(4-methoxybenzoyl) 	C32H45NO8	571.314517	NA	MeJP	NA	NA
+PJ006062	PPCKK 	C25H45N7O6S	571.3152	NA	PeJP	NA	NA
+PJ006063	GSPRR 	C22H41N11O7	571.3191	NA	PeJP	NA	NA
+PJ006064	PTLLE 	C26H45N5O9	571.3217	NA	PeJP	NA	NA
+PJ006065	LHFR 	C27H41N9O5	571.3231	NA	PeJP	NA	NA
+PJ006066	APKKE 	C25H45N7O8	571.333	NA	PeJP	NA	NA
+MJ082037	Nummularine P; N?-Me 	C30H45N5O6	571.336984	NA	MeJP	NA	NA
+PJ006067	PPVLF 	C30H45N5O6	571.337	NA	PeJP	NA	NA
+PJ006068	PVLLM 	C27H49N5O6S	571.3404	NA	PeJP	NA	NA
+PJ006069	APTKR 	C24H45N9O7	571.3442	NA	PeJP	NA	NA
+MJ082038	Veratramine; 20-Epimer, O23-?-D-glucopyranoside 	C33H49NO7	571.350902	NA	MeJP	NA	NA
+MJ082039	Veratramine; O3-?-D-Glucopyranoside 	C33H49NO7	571.350902	NA	MeJP	NA	NA
+PJ006070	LQRR 	C23H45N11O6	571.3555	NA	PeJP	NA	NA
+PJ006071	VVLLE 	C27H49N5O8	571.3581	NA	PeJP	NA	NA
+MJ082040	Fellutamide A 	C27H49N5O8	571.358113	NA	MeJP	NA	NA
+MJ082041	Tabilautide 	C27H49N5O8	571.358113	NA	MeJP	NA	NA
+EUR750	Lyso PC 20:1 [M+Na]+	C28H56NO7P	571.361388	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR750	Lyso PC 20:1 [M+Na]+	C28H56NO7P	571.361388	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR750	Lyso PC 20:1 [M+Na]+	C28H56NO7P	571.361388	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR750	Lyso PC 20:1 [M+Na]+	C28H56NO7P	571.361388	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10401	LysoPC(22:4(7Z,10Z,13Z,16Z))	C30H54NO7P	571.36377	NA	HMDB2010	NA	NA
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR591	LysoPC(22:4)	[M+H]+	571.363775	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR591	LysoPC(22:4)	[M+H]+	571.363775	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR591	LysoPC(22:4)	[M+H]+	571.363775	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR591	LysoPC(22:4)	NA	571.363775	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR591	LysoPC(22:4)	[M+H]+	571.363775	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR591	LysoPC(22:4)	NA	571.363775	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR784	Lyso PC 22:4 monoisotopic mass 	C30H54NO7P	571.363792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR784	Lyso PC 22:4 monoisotopic mass 	C30H54NO7P	571.363792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR784	Lyso PC 22:4 monoisotopic mass 	C30H54NO7P	571.363792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR784	Lyso PC 22:4 monoisotopic mass 	C30H54NO7P	571.363792	masses lipides attendues	Inhousejuil11	NA	NA
+MJ082042	PC-M4 	C37H49NO4	571.366159	NA	MeJP	NA	NA
+PJ006072	SPLKK 	C26H49N7O7	571.3694	NA	PeJP	NA	NA
+PJ006073	GVLKR 	C25H49N9O6	571.3806	NA	PeJP	NA	NA
+PJ006074	LKRR 	C24H49N11O5	571.3918	NA	PeJP	NA	NA
+PJ006075	TLLLL 	C28H53N5O7	571.3945	NA	PeJP	NA	NA
+PJ006076	ALLKK 	C27H53N7O6	571.4058	NA	PeJP	NA	NA
+MJ082043	Plakoridine A 	C35H57NO5	571.423673	NA	MeJP	NA	NA
+MJ082044	3,5-Diacyl-1,4-dihydro-4-nonylpyridines; 3,5-Didodecanoyl-1,4-dihydro-4-nonylpyridine 	C38H69NO2	571.53283	NA	MeJP	NA	NA
+3078	hemorphin-8	YPWTQRFF	571.768	MH2+	Inhouse_peptide	NA	peptide
+MJ082045	Iophenoic acid 	C11H11I3O3	571.784224	NA	MeJP	NA	NA
+MJ082046	Dibromotetrakis(dimethyl sulfoxide)ruthenium(II) 	C8H24Br2O4RuS4	571.796766	NA	MeJP	NA	NA
+MJ082047	Dichlorobis(1-phenyl-1,3-butanedionato-O,O')hafnium(IV) 	C20H18Cl2HfO4	572.004763	NA	MeJP	NA	NA
+MJ082048	Hypericin; 2,5-Dichloro 	C30H14Cl2O8	572.006572	NA	MeJP	NA	NA
+MJ082049	Fangchinoline, Isomorph 	C37H4N2O6	572.006935	NA	MeJP	NA	NA
+FL5FADGSS001	Isorhamnetin 3-glucuronide-7-sulfate	C22H20O16S	572.0472	56857-63-7	knapsack	NA	NA
+MJ082050	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucuronopyranoside, 7-O-sulfate 	C22H20O16S	572.047205	NA	MeJP	NA	NA
+MJ082051	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-(O-Sulfo-?-D-glucopyranoside) 	C23H24O15S	572.08359	NA	MeJP	NA	NA
+MJ082052	3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone; 2'',3''-Dihydro 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082053	3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone; 2,3-Dihydro (2S-) 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082054	3,3'',4',4''',5,5'',7,7''-Octahydroxy-3',3'''-biflavone; 2,3-Dihydro 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082055	Amentoflavone; 2'',3''-Dihydro, 3',5'''-dihydroxy (S-) 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082056	Campylopusaurone 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082057	Dicranolomin; 2,3-Dihydro 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082058	Ephedrannin A; 3'''-Hydroxy 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082059	Hegoflavone A; 3'-Hydroxy 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082060	Lumiluteoskyrin 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082061	Morelloflavone, 3''-Hydroxy 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082062	Robustaflavone; 3',5'''-Dihydroxy, 2'',3''-dihydro 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082063	Robustaflavone; 3',5'''-Dihydroxy, 2,3-dihydro 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082064	Xanthomegnin; 3,4-Didehydro 	C30H20O12	572.095476	NA	MeJP	NA	NA
+MJ082065	Yunnaneic acid E 	C27H24O14	572.116605	NA	MeJP	NA	NA
+PJ006077	CCCNM 	C18H32N6O7S4	572.1216	NA	PeJP	NA	NA
+MJ082066	Antibiotic A 80915D 	C26H31Cl3N2O6	572.124769	NA	MeJP	NA	NA
+MJ082067	6-C-Methylandroyol 	C31H24O11	572.131861	NA	MeJP	NA	NA
+MJ082068	Guibourtinidol-(3'?4')-ent-epimopanone 	C31H24O11	572.131861	NA	MeJP	NA	NA
+MJ082069	Xanthoquinodin A1 	C31H24O11	572.131861	NA	MeJP	NA	NA
+MJ082070	Xanthoquinodin A3 	C31H24O11	572.131861	NA	MeJP	NA	NA
+MJ082071	Xanthoquinodin B1 	C31H24O11	572.131861	NA	MeJP	NA	NA
+MJ082072	Xanthoquinodin B3 	C31H24O11	572.131861	NA	MeJP	NA	NA
+PJ006078	GSTCCC 	C18H32N6O9S3	572.1393	NA	PeJP	NA	NA
+MJ082073	3',4,4',5,6',7-Hexahydroxy-2,7'-cycloligna-7,7'-dien-9,9'-olide; 3',4'-Methylene, 4,5,7-tri-Me ether, 6'-O-?-D-glucopyranoside 	C28H28O13	572.15299	NA	MeJP	NA	NA
+MJ082074	4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-(2,4,6-tri-O-acetyl-?-D-glucopyranoside) 	C28H28O13	572.15299	NA	MeJP	NA	NA
+MJ082075	Diphyllin; 6'-O-[?-D-Glucopyranosyloxy], Me ether 	C28H28O13	572.15299	NA	MeJP	NA	NA
+PJ006079	SSSSCC 	C18H32N6O11S2	572.1571	NA	PeJP	NA	NA
+MJ082076	6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,13-Tri-Ac 	C26H33ClO12	572.166054	NA	MeJP	NA	NA
+MJ082077	6-(2',3',4',7-Tetrahydroxyisoflavan-4-yl)-4',5,7-trihydroxyflavanone, 2''',4'''-Di-Me ether 	C32H28O10	572.168247	NA	MeJP	NA	NA
+MJ082078	Candicanin 	C32H28O10	572.168247	NA	MeJP	NA	NA
+MJ082079	Cyclorivulobirin A 	C32H28O10	572.168247	NA	MeJP	NA	NA
+MJ082080	Fesumtuorin D 	C32H28O10	572.168247	NA	MeJP	NA	NA
+MJ082081	Fesumtuorin G; 12,13-Dideoxy, 12,13-epoxide 	C32H28O10	572.168247	NA	MeJP	NA	NA
+MJ082082	Rivulobirin A 	C32H28O10	572.168247	NA	MeJP	NA	NA
+MJ082083	Rivulobirin C; 2,2'-Diepimer, 2'',3''-dideoxy, 2'',3''-epoxide 	C32H28O10	572.168247	NA	MeJP	NA	NA
+PJ006080	GCCQY 	C22H32N6O8S2	572.1723	NA	PeJP	NA	NA
+PJ006081	PCCNH 	C21H32N8O7S2	572.1836	NA	PeJP	NA	NA
+FLIF1LGF0001	Amorphigenin O-glucoside	C29H32O12	572.18937	23708-98-7	knapsack	NA	NA
+MJ082084	15-Hydroxy-1(10),4,11(13)-germacratriene-12,6:14,8-diolide, 15-O-[6-O-(4-Hydroxyphenylacetyl)-?-D-glucopyranoside] 	C29H32O12	572.189376	NA	MeJP	NA	NA
+MJ082085	8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide, 8-(4-Hydroxyphenylacetyl), 15-O-?-D-glucopyranoside 	C29H32O12	572.189376	NA	MeJP	NA	NA
+MJ082086	Aloesinol, 7-Me ether, 2''-O-(3,4-dihydroxycinnamoyl)(E-) 	C29H32O12	572.189376	NA	MeJP	NA	NA
+MJ082087	Amorphigenin; O-?-D-Glucopyranoside 	C29H32O12	572.189376	NA	MeJP	NA	NA
+MJ082088	Dalpanol; 6a,12a-Didehydro, O-?-D-glucopyranoside 	C29H32O12	572.189376	NA	MeJP	NA	NA
+MJ082089	Vertisporin; 7',8'-Didehydro, 2',3';9?,10?-diepoxide, 14'-ketone 	C29H32O12	572.189376	NA	MeJP	NA	NA
+PJ006082	SSCNY 	C22H32N6O10S	572.1901	NA	PeJP	NA	NA
+PJ006083	EMMY 	C24H36N4O8S2	572.1975	NA	PeJP	NA	NA
+MJ082090	5S-Carboxystrictosidine; 3,4-Didehydro 	C28H32N2O11	572.200609	NA	MeJP	NA	NA
+MJ082091	Rubenine 	C28H32N2O11	572.200609	NA	MeJP	NA	NA
+PJ006084	GNDMH 	C21H32N8O9S	572.2013	NA	PeJP	NA	NA
+MJ082092	4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan, 3'-Hydroxy, 2'-Me ether 	C33H32O9	572.204632	NA	MeJP	NA	NA
+MJ082093	4-(6',7-Dihydroxy-4'-methoxyisoflavan-3'-yl)-2',7-dihydroxy-4'-methoxyisoflavan, 5'-Methoxy 	C33H32O9	572.204632	NA	MeJP	NA	NA
+PJ006085	GCCKY 	C23H36N6O7S2	572.2087	NA	PeJP	NA	NA
+MJ082094	Eurycomanol; 2-O-?-D-Glucopyranoside 	C26H36O14	572.210505	NA	MeJP	NA	NA
+MJ082095	Glaucarubol; 18-Hydroxy, 2-ketone, 15-O-?-D-glucopyranoside 	C26H36O14	572.210505	NA	MeJP	NA	NA
+MJ082096	Iridolinarin B 	C26H36O14	572.210505	NA	MeJP	NA	NA
+MJ082097	Jasminin; 2''?-Hydroxy, carboxylic acid 	C26H36O14	572.210505	NA	MeJP	NA	NA
+MJ082098	Peucedanol, 7-Me ether, 3'-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H36O14	572.210505	NA	MeJP	NA	NA
+PJ006086	DEFY 	C27H32N4O10	572.2119	NA	PeJP	NA	NA
+PJ006087	CQHW 	C25H32N8O6S	572.2166	NA	PeJP	NA	NA
+PJ006088	SSNEH 	C21H32N8O11	572.2191	NA	PeJP	NA	NA
+PJ006089	NNYY 	C26H32N6O9	572.2231	NA	PeJP	NA	NA
+MJ082099	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-(4-Methoxyphenylacetyl), 3-O-?-D-glucopyranoside 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082100	Affinoside A; 16,17-Didehydro 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082101	Anodendroside A 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082102	Cerberalignan F 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082103	Cerberalignan J 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082104	Isonimbinolide 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082105	Kadsurarin 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082106	Nimbin; 21,23-Dihydro, 21-oxo, 23?-hydroxy 	C30H36O11	572.225761	NA	MeJP	NA	NA
+MJ082107	Orbicuside B; 12-Ketone, 6?-hydroxy 	C30H36O11	572.225761	NA	MeJP	NA	NA
+PJ006090	PPNDM 	C23H36N6O9S	572.2265	NA	PeJP	NA	NA
+MJ082108	Cryptophycin 6 	C30H37ClN2O7	572.228929	NA	MeJP	NA	NA
+PJ006091	PMYY 	C28H36N4O7S	572.2305	NA	PeJP	NA	NA
+PJ006092	GSSHW 	C25H32N8O8	572.2343	NA	PeJP	NA	NA
+7716	NA	NWGQFHGGWG	572.23445	MH2+	Inhouse_peptide	NA	peptide
+MJ082109	Strictosidine; 3-Epimer, N4-Ac 	C29H36N2O10	572.236995	NA	MeJP	NA	NA
+PJ006093	GTQMH 	C22H36N8O8S	572.2377	NA	PeJP	NA	NA
+MJ082110	5,6,7-Trihydroxy-19-vouacapanoic acid, 6,7-Dibenzoyl 	C34H36O8	572.241018	NA	MeJP	NA	NA
+PJ006094	APPCW 	C27H36N6O6S	572.2417	NA	PeJP	NA	NA
+PJ006095	APQEE 	C23H36N6O11	572.2442	NA	PeJP	NA	NA
+MJ082111	Hastatoside; 8-Epimer, 6?-alcohol, 6-O-(8-hydroxy-2,6-dimethyl-2E,6E-octadienoyl) 	C27H40O13	572.246891	NA	MeJP	NA	NA
+MJ082112	Jaspofoliamoside E; 6'-Deacyl 	C27H40O13	572.246891	NA	MeJP	NA	NA
+PJ006096	VEYY 	C28H36N4O9	572.2482	NA	PeJP	NA	NA
+PJ006097	GTCHR 	C21H36N10O7S	572.2489	NA	PeJP	NA	NA
+PJ006098	CKHW 	C26H36N8O5S	572.253	NA	PeJP	NA	NA
+PJ006099	GPDER 	C22H36N8O10	572.2555	NA	PeJP	NA	NA
+PJ006100	AAPEW 	C27H36N6O8	572.2595	NA	PeJP	NA	NA
+MJ082113	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1-Benzoyl, 2,3-di-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082114	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 9-Benzoyl, 2,7-di-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082115	17-Hydroxyingenol; 3-Angeloyl, 5,17,20-tri-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082116	3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7-di-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082117	5,20-Epoxy-11-taxene-1,2,4,7,9,10-hexol, 2-Benzoyl, 4,10-di-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082118	5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 11-Ketone, 3-benzoyl, 7,9-di-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082119	Detigloylswietenine; 8?,30?-Epoxide, 3-(2-methylpropanoyl) 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082120	EP1; 15?-Acetoxy, 2-Deacetoxy, 3-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082121	Elaeodendroside D; 16?-Acetoxy 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082122	Gomphoside; 3'-Epimer, 19-oxo, 5,6-didehydro, 3'-Ac 	C31H40O10	572.262147	NA	MeJP	NA	NA
+MJ082123	Tyledoside F; 2'-Ketone 	C31H40O10	572.262147	NA	MeJP	NA	NA
+PJ006101	PPTQM 	C24H40N6O8S	572.2629	NA	PeJP	NA	NA
+PJ006102	PFFY 	C32H36N4O6	572.2635	NA	PeJP	NA	NA
+PJ006103	SSSHR 	C21H36N10O9	572.2667	NA	PeJP	NA	NA
+PJ006104	LMFY 	C29H40N4O6S	572.2669	NA	PeJP	NA	NA
+PJ006105	PDRW 	C26H36N8O7	572.2707	NA	PeJP	NA	NA
+MJ082124	Lycoctonine; 18-O-(2-Aminobenzoyl), 19-oxo, N-de-Et 	C30H40N2O9	572.27338	NA	MeJP	NA	NA
+7340	celiac sprue gluten epitope from gamma-gliadin	QQTYPQRPQ	572.2735	MH2+	Inhouse_peptide	NA	peptide
+PJ006106	PPTCR 	C23H40N8O7S	572.2741	NA	PeJP	NA	NA
+MJ082125	1,2,9-Trihydroxydihydro-?-agarofuran, 2,9-Dicinnamoyl, 1-Ac 	C35H40O7	572.277403	NA	MeJP	NA	NA
+PJ006107	APKEE 	C24H40N6O10	572.2806	NA	PeJP	NA	NA
+PJ006108	NHFR 	C25H36N10O6	572.282	NA	PeJP	NA	NA
+MJ082126	Nigakihemiacetal A; 16-O-?-D-Glucopyranoside(16?-) 	C28H44O12	572.283276	NA	MeJP	NA	NA
+PJ006109	STTKH 	C23H40N8O9	572.2918	NA	PeJP	NA	NA
+PJ006110	APTER 	C23H40N8O9	572.2919	NA	PeJP	NA	NA
+PJ006111	GPTLW 	C28H40N6O7	572.2959	NA	PeJP	NA	NA
+MJ082127	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 7-Ketone, 12-Ac 	C32H44O9	572.298533	NA	MeJP	NA	NA
+MJ082128	Piscidinol D; 7-Ketone 	C32H44O9	572.298533	NA	MeJP	NA	NA
+PJ006112	PPTKM 	C25H44N6O7S	572.2992	NA	PeJP	NA	NA
+PJ006113	GGPVLM 	C25H44N6O7S	572.2993	NA	PeJP	NA	NA
+MJ082129	4-Amino-?-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]benzenebutanoic acid 	C33H40N4O5	572.29987	NA	MeJP	NA	NA
+PJ006114	LFFF 	C33H40N4O5	572.2999	NA	PeJP	NA	NA
+PJ006115	AAQQR 	C22H40N10O8	572.3031	NA	PeJP	NA	NA
+3653	NA	DKPTL	572.3039	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006116	GPPFR 	C27H40N8O6	572.3071	NA	PeJP	NA	NA
+MJ082130	Delectinine; O18-(2-Aminobenzoyl) 	C31H44N2O8	572.309766	NA	MeJP	NA	NA
+MJ082131	Lycoctonine; 18-O-(2-Aminobenzoyl), O6-de-Me 	C31H44N2O8	572.309766	NA	MeJP	NA	NA
+MJ082132	Schizanthine X 	C31H44N2O8	572.309766	NA	MeJP	NA	NA
+PJ006117	GPLMR 	C24H44N8O6S	572.3105	NA	PeJP	NA	NA
+PJ006118	NQRR 	C21H40N12O7	572.3143	NA	PeJP	NA	NA
+PJ006119	SPLKE 	C25H44N6O9	572.317	NA	PeJP	NA	NA
+PJ006120	GVLER 	C24H44N8O8	572.3282	NA	PeJP	NA	NA
+PJ006121	GGGAALK 	C24H44N8O8	572.3283	NA	PeJP	NA	NA
+PJ006122	AALLW 	C29H44N6O6	572.3323	NA	PeJP	NA	NA
+MJ082133	1-(9-Methylhexadecyl)lysoplasmanylinositol 	C26H53O11P	572.332549	NA	MeJP	NA	NA
+C11953	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone	C33H48O8	572.3349	NA	KEGG	NA	NA
+MJ082134	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Octanoyl, 12-tigloyl 	C33H48O8	572.334918	NA	MeJP	NA	NA
+MJ082135	Milbemycin ?3; 26-Hydroxy, 5-Me ether 	C33H48O8	572.334918	NA	MeJP	NA	NA
+MJ082136	Vilasinin; 20,21,22,23-Tetrahydro, 21?-hydroxy, 1-tigloyl, 3-Ac 	C33H48O8	572.334918	NA	MeJP	NA	NA
+PJ006123	PVVKM 	C26H48N6O6S	572.3356	NA	PeJP	NA	NA
+PJ006124	LERR 	C23H44N10O7	572.3395	NA	PeJP	NA	NA
+PJ006125	VLRW 	C28H44N8O5	572.3435	NA	PeJP	NA	NA
+MJ082137	Spinuloplagin A 	C37H48O5	572.350174	NA	MeJP	NA	NA
+MJ082138	Spinuloplagin B 	C37H48O5	572.350174	NA	MeJP	NA	NA
+PJ006126	NKRR 	C22H44N12O6	572.3507	NA	PeJP	NA	NA
+MJ082139	Geissolosimine 	C38H44N4O	572.351512	NA	MeJP	NA	NA
+MJ082140	Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro, 19,20?-dihydro 	C38H44N4O	572.351512	NA	MeJP	NA	NA
+PJ006127	ALLKE 	C26H48N6O8	572.3534	NA	PeJP	NA	NA
+PJ006128	ATLLR 	C25H48N8O7	572.3646	NA	PeJP	NA	NA
+HMDB10344	Vitamin D2 3-glucuronide	C34H52O7	572.371277	NA	HMDB2010	NA	NA
+MJ082141	1,3,22-Trihydroxy-20(29)-lupen-26-oic acid, 1,3-Di-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082142	12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl), 20-propanoyl 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082143	12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl), 20-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082144	12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxybutanoyl), 20-propanoyl 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082145	12,20-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Hydroxypentanoyl), 20-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082146	2,3,23-Trihydroxy-12-ursen-28-oic acid, 2,23-Di-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082147	3,6,19-Trihydroxy-12-ursen-28-oic acid, 3,6-Di-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082148	3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 3,15-Di-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082149	3,7,15-Trihydroxylanosta-8,24-dien-26-oic acid, 3,7-Di-Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082150	Ergosta-5,24(28)-diene-2,3,15,18-tetrol, 2,15,18-Tri Ac 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082151	Milbemycin E 	C34H52O7	572.371304	NA	MeJP	NA	NA
+MJ082152	Quercinic acid; 3-Carboxyacetyl 	C34H52O7	572.371304	NA	MeJP	NA	NA
+PJ006129	AAKKR 	C24H48N10O6	572.3759	NA	PeJP	NA	NA
+MJ082153	Nephilatoxin 1; Deoxy 	C29H48N8O4	572.379852	NA	MeJP	NA	NA
+MJ082154	Fusarochromanone; 3'-N-Ac, 4'-O-(14-methylpentadecanoyl) 	C33H52N2O6	572.382537	NA	MeJP	NA	NA
+MJ082155	Actinioerythrol; Dialcohol 	C38H52O4	572.38656	NA	MeJP	NA	NA
+MJ082156	Antibiotic IC 202A 	C27H52N6O7	572.389748	NA	MeJP	NA	NA
+PJ006130	SLLLK 	C27H52N6O7	572.3898	NA	PeJP	NA	NA
+PJ006131	GLKKK 	C26H52N8O6	572.401	NA	PeJP	NA	NA
+MJ082157	12-Oleanene-3,15,16,22,28-pentol, 22-Angeloyl 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082158	12-Oleanene-3,15,16,22,28-pentol, 22-O-(2-Methyl-2-butenoyl) 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082159	12-Oleanene-3,15,16,22,28-pentol, 22-O-(3-Methyl-2-butenoyl) 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082160	12-Oleanene-3,15,16,22,28-pentol, 28-Angeloyl 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082161	12-Oleanene-3,16,21,22,28-pentol, 21-Angeloyl 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082162	12-Oleanene-3,16,21,22,28-pentol, 21-Tigloyl 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082163	12-Oleanene-3,16,21,22,28-pentol, 22-(3-Methyl-2-butenoyl) 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082164	12-Oleanene-3,16,21,22,28-pentol, 22-Angeloyl 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082165	Skimmiarepin A 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082166	Stigmasta-5,22,25-trien-3-ol, 3-O-?-D-Galactopyranoside 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082167	Stigmasta-7,22,25-trien-3-ol, O-?-D-Glucopyranoside 	C35H56O6	572.407689	NA	MeJP	NA	NA
+MJ082168	12-Oleanen-3-ol, O-(4-Hydroxy-E-cinnamoyl) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082169	12-Oleanen-3-ol, O-(4-Hydroxy-Z-cinnamoyl) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082170	12-Ursen-3-ol, 4-Hydroxycinnamoyl(E-) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082171	12-Ursen-3-ol, 4-Hydroxycinnamoyl(Z-) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082172	14-Taraxeren-3-ol, O-(4-Hydroxycinnamoyl)(E-) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082173	14-Taraxeren-3-ol, O-(4-Hydroxycinnamoyl)(Z-) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082174	20(29)-Lupen-3-ol, 4-Hydroxycinnamoyl 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082175	Cycloart-24-en-3-ol, 3-O-(4-Hydroxycinnamoyl) (E-) 	C39H56O3	572.422945	NA	MeJP	NA	NA
+MJ082176	20(29)-Lupen-3-ol, O-?-L-Rhamnopyranoside 	C36H60O5	572.444075	NA	MeJP	NA	NA
+C07551	Pancuronium	C35H60N2O4	572.4553	NA	KEGG	NA	NA
+MJ082177	1,1',2,2'-Tetrahydro-1,1'-dihydroxylycopene 	C40H60O2	572.459331	NA	MeJP	NA	NA
+MJ082178	5,5',6,6'-Tetrahydro-?,?-carotene-4,4'-diol 	C40H60O2	572.459331	NA	MeJP	NA	NA
+MJ082179	Kitol A 	C40H60O2	572.459331	NA	MeJP	NA	NA
+MJ082180	Zeaxanthin; 7,7',8,8'-Tetrahydro 	C40H60O2	572.459331	NA	MeJP	NA	NA
+HMDB03071	5,6-dihydro-5,6-dihydroxy-y,y-Carotene	C40H60O2	572.45935	http://www.hmdb.ca/metabolites/HMDB03071	HMDB	NA	NA
+HMDB03071	5,6-dihydro-5,6-dihydroxy-y,y-Carotene	C40H60O2	572.45935	HMDB03071	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03071	5,6-Dihydro-5,6-dihydroxy-y,y-carotene	C40H60O2	572.459351	NA	HMDB2010	NA	NA
+MJ082181	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Heptacosyl ester 	C37H64O4	572.48046	NA	MeJP	NA	NA
+MJ082182	Coriacyclodienin 	C37H64O4	572.48046	NA	MeJP	NA	NA
+MJ082183	Dieporeticenin 	C37H64O4	572.48046	NA	MeJP	NA	NA
+MJ082184	Spheroidene; 3,4,11',12'-Tetrahydro 	C41H64O	572.495716	NA	MeJP	NA	NA
+MJ082185	2-(4-Hydroxyphenyl)ethanol; 1-O-Triacontanoyl 	C38H68O3	572.516846	NA	MeJP	NA	NA
+3586	heparin-binding peptide	WQARMKKAGA	572.7992	MH2+	Inhouse_peptide	NA	peptide
+MJ082186	Purpuramine C 	C25H26Br2N3O3(+)	573.026267	NA	MeJP	NA	NA
+C05136	GDP-3,6-dideoxy-D-galactose	C16H25N5O14P2	573.0873	NA	KEGG	NA	NA
+MJ082187	Guanosine diphosphate colitose 	C16H25N5O14P2	573.087323	NA	MeJP	NA	NA
+PJ006132	CCCDM 	C18H31N5O8S4	573.1056	NA	PeJP	NA	NA
+MJ082188	Biotinyl-5'-AMP 	C20H28N7O9PS	573.140682	NA	MeJP	NA	NA
+MetaCyc03878	bio-5'-AMP [biotinyl-5'-adenylate;]	C20H28N7O9P1S1	573.140683	NA	metacyc	NA	NA
+HMDB04220	Biotinyl-5'-AMP	C20H28N7O9PS	573.140686	NA	HMDB2010	NA	NA
+HMDB04220	Biotinyl-5'-AMP	C20H28N7O9PS	573.14069	http://www.hmdb.ca/metabolites/HMDB04220	HMDB	NA	NA
+HMDB04220	Biotinyl-5'-AMP	C20H28N7O9PS	573.14069	HMDB04220	PFEM_hmdb_metabocards_official	NA	NA
+C05921	Biotinyl-5'-AMP	C20H28N7O9PS	573.1407	NA	KEGG	NA	NA
+PJ006133	SCCMM 	C19H35N5O7S4	573.142	NA	PeJP	NA	NA
+PJ006134	GCCEY 	C22H31N5O9S2	573.1563	NA	PeJP	NA	NA
+PJ006135	PCCDH 	C21H31N7O8S2	573.1676	NA	PeJP	NA	NA
+MJ082189	Pancratistatin, 1-O-(3-?-D-Glucopyranosyloxybutanoyl) 	C24H31NO15	573.169369	NA	MeJP	NA	NA
+PJ006136	CCYW 	C26H31N5O6S2	573.1716	NA	PeJP	NA	NA
+MJ082190	N-?-Alanyl-5-(S-glutathionyl)-3,4-dihydroxyphenylalanine 	C22H31N5O11S	573.174077	NA	MeJP	NA	NA
+PJ006137	SSCDY 	C22H31N5O11S	573.1741	NA	PeJP	NA	NA
+PJ006138	ACCMF 	C23H35N5O6S3	573.175	NA	PeJP	NA	NA
+MJ082191	Antibiotic GPIyl 	C28H31NO12	573.184625	NA	MeJP	NA	NA
+PJ006139	GDDMH 	C21H31N7O10S	573.1853	NA	PeJP	NA	NA
+PJ006140	GTCMY 	C23H35N5O8S2	573.1927	NA	PeJP	NA	NA
+PJ006141	SCNNH 	C20H31N9O9S	573.1966	NA	PeJP	NA	NA
+PJ006142	CEHW 	C25H31N7O7S	573.2006	NA	PeJP	NA	NA
+PJ006143	SSDEH 	C21H31N7O12	573.2031	NA	PeJP	NA	NA
+PJ006144	SPCMH 	C22H35N7O7S2	573.204	NA	PeJP	NA	NA
+MetaCyc03879	THF-L-glutamate [tetrahydrofolate glutamate;]	C24H29N8O9	573.20575	NA	metacyc	NA	NA
+PJ006145	NDYY 	C26H31N5O10	573.2071	NA	PeJP	NA	NA
+PJ006146	SSSMY 	C23H35N5O10S	573.2105	NA	PeJP	NA	NA
+2877	opioid fragment of beta-lipotropin M-enkephalin	YGGFM	573.2134	antibacterial	Inhouse_peptide	NA	peptide
+7853	NA	YGGFM	573.2134	ACE inhibitor	Inhouse_peptide	NA	peptide
+8123	secretory peptide hormone - (Met)enkephalin	YGGFM	573.2134	anticancer	Inhouse_peptide	NA	peptide
+PJ006147	GTEMH 	C22H35N7O9S	573.2217	NA	PeJP	NA	NA
+C13851	BRL 32872	C29H35N3O7	573.2242	NA	KEGG	NA	NA
+C11684	MET-enkephalin	C27H35N5O7S	573.2257	NA	KEGG	NA	NA
+PJ006148	NMFY 	C27H35N5O7S	573.2257	NA	PeJP	NA	NA
+PJ006149	PVDDE 	C23H35N5O12	573.2282	NA	PeJP	NA	NA
+PJ006150	APEEE 	C23H35N5O12	573.2283	NA	PeJP	NA	NA
+MJ082192	Kidamycin; 8-Deglycosyl, 4''-Ac 	C33H35NO8	573.236267	NA	MeJP	NA	NA
+PJ006151	TMHW 	C26H35N7O6S	573.237	NA	PeJP	NA	NA
+PJ006152	STTEH 	C22H35N7O11	573.2395	NA	PeJP	NA	NA
+PJ006153	GVMMH 	C23H39N7O6S2	573.2403	NA	PeJP	NA	NA
+PJ006154	ACLMH 	C23H39N7O6S2	573.2404	NA	PeJP	NA	NA
+PJ006155	GSHHH 	C23H31N11O7	573.2408	NA	PeJP	NA	NA
+MJ082193	Butirosin A; 3'-Deoxy, 3'-chloro 	C21H40ClN5O11	573.241284	NA	MeJP	NA	NA
+PJ006156	TQYY 	C27H35N5O9	573.2435	NA	PeJP	NA	NA
+PJ006157	PPTEM 	C24H39N5O9S	573.2469	NA	PeJP	NA	NA
+PJ006158	GNQQQ 	C21H35N9O10	573.2507	NA	PeJP	NA	NA
+PJ006159	MMHR 	C22H39N9O5S2	573.2516	NA	PeJP	NA	NA
+PJ006160	GSPQW 	C26H35N7O8	573.2547	NA	PeJP	NA	NA
+MJ082194	Alkaloid GB11; 13?-Acetoxy, Di-Ac 	C30H39NO10	573.257396	NA	MeJP	NA	NA
+PJ006161	SSLMH 	C23H39N7O8S	573.2581	NA	PeJP	NA	NA
+PJ006162	NFFF 	C31H35N5O6	573.2588	NA	PeJP	NA	NA
+PJ006163	GNNNR 	C20H35N11O9	573.2619	NA	PeJP	NA	NA
+PJ006164	GGGNNR 	C20H35N11O9	573.262	NA	PeJP	NA	NA
+MJ082195	N-[3-[1,1'-Biphenyl]-4-yl-N-(3,5-dimethylbenzoyl)-N-methyl-D-alanyl]-L-tryptophan 	C36H35N3O4	573.262756	NA	MeJP	NA	NA
+PJ006165	SPLEE 	C24H39N5O11	573.2646	NA	PeJP	NA	NA
+PJ006166	PPVMM 	C25H43N5O6S2	573.2655	NA	PeJP	NA	NA
+PJ006167	DHFR 	C25H35N9O7	573.266	NA	PeJP	NA	NA
+8156	ACE inhibitor from b-CN (180-197)	YPQRDMPIQ	573.26765	MH2+	Inhouse_peptide	NA	peptide
+PJ006168	GPNMR 	C22H39N9O7S	573.2693	NA	PeJP	NA	NA
+PJ006169	GGGPMR 	C22H39N9O7S	573.2694	NA	PeJP	NA	NA
+PJ006170	SPNKE 	C23H39N7O10	573.2759	NA	PeJP	NA	NA
+MJ082196	Uscharin; 19-Deoxo 	C31H43NO7S	573.276023	NA	MeJP	NA	NA
+C03183	Z-Gly-Pro-Leu-Gly-Pro	C28H39N5O8	573.2799	NA	KEGG	NA	NA
+PJ006171	TKYY 	C28H39N5O8	573.2799	NA	PeJP	NA	NA
+PJ006172	PVVEM 	C25H43N5O8S	573.2833	NA	PeJP	NA	NA
+PJ006173	AAQER 	C22H39N9O9	573.2871	NA	PeJP	NA	NA
+PJ006174	GSPKW 	C27H39N7O7	573.2911	NA	PeJP	NA	NA
+MJ082197	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl 	C31H43NO9	573.293781	NA	MeJP	NA	NA
+MJ082198	Anopterine; 4',7?-Dihydroxy 	C31H43NO9	573.293781	NA	MeJP	NA	NA
+MJ082199	Guayewuanine A 	C31H43NO9	573.293781	NA	MeJP	NA	NA
+MJ082200	Hemsleyanidine 	C31H43NO9	573.293781	NA	MeJP	NA	NA
+PJ006175	APQKM 	C24H43N7O7S	573.2945	NA	PeJP	NA	NA
+PJ006176	NERR 	C21H39N11O8	573.2983	NA	PeJP	NA	NA
+PJ006177	ALLEE 	C25H43N5O10	573.301	NA	PeJP	NA	NA
+PJ006178	VNRW 	C26H39N9O6	573.3023	NA	PeJP	NA	NA
+PJ006179	GGVRW 	C26H39N9O6	573.3024	NA	PeJP	NA	NA
+PJ006180	APCKR 	C23H43N9O6S	573.3057	NA	PeJP	NA	NA
+EUR912	Lyso PE 22:5 [M+FA-H]-	C27H46NO7P	573.306072	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR912	Lyso PE 22:5 [M+FA-H]-	C27H46NO7P	573.306072	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR912	Lyso PE 22:5 [M+FA-H]-	C27H46NO7P	573.306072	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR912	Lyso PE 22:5 [M+FA-H]-	C27H46NO7P	573.306072	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006181	GLQKE 	C24H43N7O9	573.3122	NA	PeJP	NA	NA
+PJ006182	AVQKE 	C24H43N7O9	573.3123	NA	PeJP	NA	NA
+PJ006183	GRRW 	C25H39N11O5	573.3136	NA	PeJP	NA	NA
+7806	ACE inhibitor from caprine b-Lg	LQKW	573.315	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006184	PPVVY 	C29H43N5O7	573.3163	NA	PeJP	NA	NA
+PJ006185	PTLLM 	C26H47N5O7S	573.3196	NA	PeJP	NA	NA
+PJ006186	AAKER 	C23H43N9O8	573.3235	NA	PeJP	NA	NA
+PJ006187	LQKW 	C28H43N7O6	573.3275	NA	PeJP	NA	NA
+MJ082201	2,3,14,20,24,25-Hexahydroxycholest-7-en-6-one, 24-O-(2-Pyrrolecarbonyl) 	C32H47NO8	573.330167	NA	MeJP	NA	NA
+MJ082202	Zygadenilic acid ?-lactone; O16-Angeloyl 	C32H47NO8	573.330167	NA	MeJP	NA	NA
+MJ082203	Paludosine; N-Me 	C32H48NO8(+)	573.330167	NA	MeJP	NA	NA
+PJ006188	APKKM 	C25H47N7O6S	573.3309	NA	PeJP	NA	NA
+C09997	Amphibine A	C33H43N5O4	573.3315	NA	KEGG	NA	NA
+MJ082204	?,?-Ergoannam 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082205	Amphibine A 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082206	Discarine A 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082207	Discarine B 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082208	Discarine X 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082209	Nummularine K 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082210	Texensine 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+MJ082211	Waltherine B 	C33H43N5O4	573.331504	NA	MeJP	NA	NA
+PJ006189	DKRR 	C22H43N11O7	573.3347	NA	PeJP	NA	NA
+PJ006190	SLLLE 	C26H47N5O9	573.3374	NA	PeJP	NA	NA
+MJ082212	Dolastatin D 	C31H47N3O7	573.3414	NA	MeJP	NA	NA
+MJ082213	Leualacin 	C31H47N3O7	573.3414	NA	MeJP	NA	NA
+2725	erythromycin inhibitor	MILVV	573.3444	NA	Inhouse_peptide	NA	peptide
+MJ082214	Lycorine, O1-(5,8,11,14-Eicosatetraenoyl)(all-Z-) 	C36H47NO5	573.345423	NA	MeJP	NA	NA
+PJ006191	SRRR 	C21H43N13O6	573.346	NA	PeJP	NA	NA
+3608	NA	RTAKV	573.347	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006192	GLKKE 	C25H47N7O8	573.3486	NA	PeJP	NA	NA
+PJ006193	PVVLF 	C30H47N5O6	573.3527	NA	PeJP	NA	NA
+PJ006194	VVLLM 	C27H51N5O6S	573.356	NA	PeJP	NA	NA
+PJ006195	GTLKR 	C24H47N9O7	573.3599	NA	PeJP	NA	NA
+3057	NA	YGKVLKKRR	573.36	MH2+	Inhouse_peptide	NA	peptide
+PJ006196	LKKW 	C29H47N7O5	573.3639	NA	PeJP	NA	NA
+MJ082215	Jervine; 11-Deoxo, 3-O-?-D-glucopyranoside 	C33H51NO7	573.366552	NA	MeJP	NA	NA
+MJ082216	Mitiphylline; N-Ac 	C33H51NO7	573.366552	NA	MeJP	NA	NA
+MJ082217	Veratra-5,11,13-triene-3,23-diol, 23-O-?-D-Glucopyranoside 	C33H51NO7	573.366552	NA	MeJP	NA	NA
+EUR740	Lyso PC 20:0 [M+Na]+	C28H58NO7P	573.377038	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR740	Lyso PC 20:0 [M+Na]+	C28H58NO7P	573.377038	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR740	Lyso PC 20:0 [M+Na]+	C28H58NO7P	573.377038	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR740	Lyso PC 20:0 [M+Na]+	C28H58NO7P	573.377038	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006197	SVLKK 	C26H51N7O7	573.385	NA	PeJP	NA	NA
+MJ082218	Sevcoridine; 3-O-?-D-Glucopyranosyl 	C34H55NO6	573.402938	NA	MeJP	NA	NA
+MJ082219	Pyrinodemin A 	C38H59N3O	573.465813	NA	MeJP	NA	NA
+MJ082220	Bis(2,3-dibromo-4,5-dihydroxybenzyl) ether 	C14H10Br4O5	573.726174	NA	MeJP	NA	NA
+MJ082221	2,3',5,5'-Tetrabromo-7'-methoxy-3,4'-bi-1H-indole 	C17H10Br4N2O	573.752663	NA	MeJP	NA	NA
+MJ082222	3,3',5,5'-Tetrabromo-7'-methoxy-1,4'-bi-1H-indole 	C17H10Br4N2O	573.752663	NA	MeJP	NA	NA
+7353	celiac sprue gluten epitope found in omega-gliadin	QQPYPQQPY	573.757	MH2+	Inhouse_peptide	NA	peptide
+3708	NA	RNKPFKFVL	573.83595	MH2+	Inhouse_peptide	NA	peptide
+MJ082223	?-Hydroxydiphenyldimercury(1+) 	C12H11Hg2O(+)	574.014416	NA	MeJP	NA	NA
+FL5FFCGSS002	Gossypetin 8-glucuronide-3-sulfate	C21H18O17S	574.02646	-	knapsack	NA	NA
+MJ082224	3,3',4',5,7,8-Hexahydroxyflavone; 8-O-?-D-Glucuronopyranoside, 3-O-sulfate 	C21H18O17S	574.026469	NA	MeJP	NA	NA
+FL5FECGLS001	Patuletin 3-glucoside-7-sulfate	C22H22O16S	574.06285	33530-69-7	knapsack	NA	NA
+MJ082225	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-sulfate 	C22H22O16S	574.062855	NA	MeJP	NA	NA
+MJ082226	Distigmine(2+); Dibromide 	C22H32Br2N4O4	574.07903	NA	MeJP	NA	NA
+MJ082227	Mangiferin; 6'-O-(3,4,5-Trihydroxybenzoyl) 	C26H22O15	574.09587	NA	MeJP	NA	NA
+MJ082228	Peritoxin A 	C20H29Cl3N4O9	574.100011	NA	MeJP	NA	NA
+PJ006198	GSCCCC 	C17H30N6O8S4	574.1008	NA	PeJP	NA	NA
+MJ082229	Gadodiamide 	C16H26GdN5O8	574.102238	NA	MeJP	NA	NA
+C16763	Luteoskyrin	C30H22O12	574.1111	NA	KEGG	NA	NA
+MJ082230	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3'''-Hydroxy 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082231	3,3'',4',4''',5,5'',7,7''-Octahydroxy-3',3'''-biflavanone 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082232	3,3',4',5',7-Pentahydroxyflavan(4?2')-3',4',5',7-tetrahydroxyflavone 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082233	3,3',4',7-Tetrahydroxyflavan(4?2')-3,3',4',5',7-pentahydroxyflavone 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082234	8,9b-Bis(3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl)-4a,9b-dihydro-3(4H)dibenzofuranone 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082235	Hypnumbiflavanoid A 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082236	Hypnumbiflavanoid B 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082237	Larixinol; 3',3''-Dihydroxy 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082238	Rubroskyrin 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082239	Rugulosin, 8,8'-Dihydroxy 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082240	Xanthomegnin 	C30H22O12	574.111126	NA	MeJP	NA	NA
+MJ082241	Mulberrofuran P 	C34H22O9	574.126382	NA	MeJP	NA	NA
+MJ082242	Prunolide A; Octakis(debromo) 	C34H22O9	574.126382	NA	MeJP	NA	NA
+FL1A3CGS0005	6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside)	C27H26O14	574.13225	-	knapsack	NA	NA
+FL1A3CGS0011	6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside);Maritimetin 6-O-(3'',4'',6''-tri-O-acetylglucoside)	C27H26O14	574.13225	194600-18-5	knapsack	NA	NA
+MJ082243	3',4',6,7-Tetrahydroxyaurone; 6-O-(2,4,6-Tri-O-acetyl-?-D-glucopyranoside) 	C27H26O14	574.132255	NA	MeJP	NA	NA
+MJ082244	3',4',6,7-Tetrahydroxyaurone; 6-O-(3,4,6-Tri-O-acetyl-?-D-glucopyranoside) 	C27H26O14	574.132255	NA	MeJP	NA	NA
+MJ082245	2,2'-Dihydroxy-9,9'-bis(4-hydroxyphenyl)-[3,3'-bi-1H-phenalene]-1,1'-dione 	C38H22O6	574.141638	NA	MeJP	NA	NA
+MJ082246	Anigorootin 	C38H22O6	574.141638	NA	MeJP	NA	NA
+MJ082247	1-[2-(3,4-Dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-5,6a,7,12a-tetrahydro[2]benzopyrano[4,3-b][1]benzopyran-2,3,7,10-tetrol 	C31H26O11	574.147511	NA	MeJP	NA	NA
+MJ082248	Diphyllin; 3,4,5-Trimethoxybenzoyl 	C31H26O11	574.147511	NA	MeJP	NA	NA
+MJ082249	Viniferal 	C35H26O8	574.162767	NA	MeJP	NA	NA
+MJ082250	Rutaretin, 1'-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H30O13	574.168641	NA	MeJP	NA	NA
+MJ082251	Steffimycin 	C28H30O13	574.168641	NA	MeJP	NA	NA
+MJ082252	Mioflazine 	C29H30Cl2F2N4O2	574.171388	NA	MeJP	NA	NA
+PJ006199	SCNDH 	C20H30N8O10S	574.1806	NA	PeJP	NA	NA
+MJ082253	3',3'''-Bis(2',4,4',6'-tetrahydroxydihydrochalcone); 4,4''-Di-Me ether 	C32H30O10	574.183897	NA	MeJP	NA	NA
+MJ082254	Cardinalin 1; 4a,4'a,10a,10'a-Tetradehydro, 5-ketone 	C32H30O10	574.183897	NA	MeJP	NA	NA
+MJ082255	Flavomannin, 3,3'-Di-Me ether 	C32H30O10	574.183897	NA	MeJP	NA	NA
+MJ082256	Occidentalol II 	C32H30O10	574.183897	NA	MeJP	NA	NA
+MJ082257	Talaroderxine A 	C32H30O10	574.183897	NA	MeJP	NA	NA
+MJ082258	Torosaol III 	C32H30O10	574.183897	NA	MeJP	NA	NA
+PJ006200	PNDDD 	C21H30N6O13	574.1871	NA	PeJP	NA	NA
+PJ006201	DDYY 	C26H30N4O11	574.1911	NA	PeJP	NA	NA
+PJ006202	MMMY 	C24H38N4O6S3	574.1954	NA	PeJP	NA	NA
+FL2FA9NC0004	Uvarinol	C36H30O7	574.19915	66754-55-0	knapsack	NA	NA
+FL2FA9NC0006	Isouvarinol;(S)-5,7-Dihydroxy-6-(2-hydroxybenzyl)-8-(2x2-hydroxybenzyl)flavanone	C36H30O7	574.19915	152841-80-0	knapsack	NA	NA
+MJ082259	Isouvarinol 	C36H30O7	574.199153	NA	MeJP	NA	NA
+MJ082260	Uvarinol 	C36H30O7	574.199153	NA	MeJP	NA	NA
+PJ006203	GCQMH 	C21H34N8O7S2	574.1992	NA	PeJP	NA	NA
+FLIF1LGF0003	Dalpanol O-glucoside	C29H34O12	574.20502	52059-86-6	knapsack	NA	NA
+MJ082261	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6,9-Bis(3-furancarbonyl), 1,8-di-Ac 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082262	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(3-methyl-2-butenoyl), 9,13-di-Ac 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082263	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-[4-Hydroxyphenylacetyl-(?2)-?-D-glucopyranoside] 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082264	8,15-Dihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 15-O-[4-Hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082265	Amorphigenin; 12?-Alcohol, 2'-O-?-D-glucopyranoside 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082266	Dalpanol; O-?-D-Glucopyranoside 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082267	Elegantin A 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082268	Harrisonin; 12?-Acetoxy 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082269	Pterosin T; 14-Deoxy, 15-hydroxy, 10-O-(4-O-caffeoyl-?-D-glucopyranoside) 	C29H34O12	574.205026	NA	MeJP	NA	NA
+MJ082270	Steffimycin; 7-Deoxo, 4'-Me ether 	C29H34O12	574.205026	NA	MeJP	NA	NA
+PJ006204	GSPPCD 	C22H34N6O10S	574.2057	NA	PeJP	NA	NA
+MJ082271	Adiphene 	C30H30N4O8	574.206363	NA	MeJP	NA	NA
+PJ006205	DMFY 	C27H34N4O8S	574.2098	NA	PeJP	NA	NA
+MJ082272	Kohatine; 1',2',3',4'-Tetradehydro, O12-Me 	C35H30N2O6	574.210386	NA	MeJP	NA	NA
+MJ082273	Stephasubine; N-De-Me, 1,2-didehydro 	C35H30N2O6	574.210386	NA	MeJP	NA	NA
+PJ006206	GCCHR 	C20H34N10O6S2	574.2104	NA	PeJP	NA	NA
+HMDB06825	Tetrahydrofolyl-[Glu](2)	C24H30N8O9	574.21356	http://www.hmdb.ca/metabolites/HMDB06825	HMDB	NA	NA
+HMDB06826	Tetrahydrofolyl-[Glu](n)	C24H30N8O9	574.21356	http://www.hmdb.ca/metabolites/HMDB06826	HMDB	NA	NA
+HMDB06825	Tetrahydrofolyl-[Glu](2)	C24H30N8O9	574.21356	HMDB06825	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06826	Tetrahydrofolyl-[Glu](n)	C24H30N8O9	574.21356	HMDB06826	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06825	Tetrahydrofolyl-[Glu](2)	C24H30N8O9	574.213562	NA	HMDB2010	NA	NA
+C09332	Tetrahydrofolyl-[Glu](2)	C24H30N8O9	574.2136	NA	KEGG	NA	NA
+MJ082274	5S-Carboxystrictosidine 	C28H34N2O11	574.216259	NA	MeJP	NA	NA
+PJ006207	SSNMH 	C21H34N8O9S	574.217	NA	PeJP	NA	NA
+PJ006208	SPNEE 	C22H34N6O12	574.2235	NA	PeJP	NA	NA
+PJ006209	PPCQM 	C23H38N6O7S2	574.2244	NA	PeJP	NA	NA
+MJ082275	Brucein E; 2-O-?-D-Glucopyranoside 	C26H38O14	574.226155	NA	MeJP	NA	NA
+MJ082276	Razinodil 	C27H34N4O10	574.227493	NA	MeJP	NA	NA
+PJ006210	TEYY 	C27H34N4O10	574.2275	NA	PeJP	NA	NA
+PJ006211	MMFF 	C28H38N4O5S2	574.2284	NA	PeJP	NA	NA
+MJ082277	TSAO-C 	C23H42N4O7SSi2	574.231273	NA	MeJP	NA	NA
+MJ082278	Lanciferine; 10-Methoxy 	C32H34N2O8	574.231516	NA	MeJP	NA	NA
+PJ006212	GSSSTH 	C21H34N8O11	574.2347	NA	PeJP	NA	NA
+PJ006213	GGGGGAAE 	C21H34N8O11	574.2348	NA	PeJP	NA	NA
+PJ006214	PPCCR 	C22H38N8O6S2	574.2356	NA	PeJP	NA	NA
+PJ006215	GSPEW 	C26H34N6O9	574.2388	NA	PeJP	NA	NA
+MJ082279	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-(hydroxyacetyl), 2,6-di-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082280	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,14-tetra-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082281	1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,8,14-tetra-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082282	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8,14-tetra-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082283	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 8-Benzoyl, 1,6,9,14-tetra-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082284	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8,14-tetra-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082285	3,9-Dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 3-O-?-D-Glucopyranoside, 9-(4-methoxyphenylacetyl) 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082286	Affinoside A 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082287	Amoorastatone; 12?-Acetoxy 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082288	Amoorstatin; 12?-Acetoxy 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082289	Anodendroside E1; 16,17-Didehydro 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082290	Austalide B; 19?-Acetoxy, 13-Ac 	C30H38O11	574.241412	NA	MeJP	NA	NA
+MJ082291	Leptolepisol B 	C30H38O11	574.241412	NA	MeJP	NA	NA
+PJ006216	APQEM 	C23H38N6O9S	574.2421	NA	PeJP	NA	NA
+PJ006217	DFFF 	C31H34N4O7	574.2428	NA	PeJP	NA	NA
+PJ006218	GNNDR 	C20H34N10O10	574.246	NA	PeJP	NA	NA
+PJ006219	VMYY 	C28H38N4O7S	574.2461	NA	PeJP	NA	NA
+PJ006220	NQQW 	C25H34N8O8	574.25	NA	PeJP	NA	NA
+PJ006221	GPDMR 	C22H38N8O8S	574.2534	NA	PeJP	NA	NA
+PJ006222	SPWW 	C30H34N6O6	574.254	NA	PeJP	NA	NA
+PJ006223	AAPMW 	C27H38N6O6S	574.2574	NA	PeJP	NA	NA
+PJ006224	GLQEE 	C23H38N6O11	574.2599	NA	PeJP	NA	NA
+PJ006225	PPCKM 	C24H42N6O6S2	574.2607	NA	PeJP	NA	NA
+PJ006226	GPQHH 	C24H34N10O7	574.2612	NA	PeJP	NA	NA
+2637	synthetic fr, of human beta-CN (42-46) ACE inhibitor	PSFQP	574.262	NA	Inhouse_peptide	NA	peptide
+MJ082292	Jasmesosidic acid; Me ester 	C27H42O13	574.262541	NA	MeJP	NA	NA
+MJ082293	Jasuroside E 	C27H42O13	574.262541	NA	MeJP	NA	NA
+MJ082294	Jasuroside F 	C27H42O13	574.262541	NA	MeJP	NA	NA
+PJ006227	AAEER 	C22H38N8O10	574.2711	NA	PeJP	NA	NA
+PJ006228	LQEW 	C27H38N6O8	574.2751	NA	PeJP	NA	NA
+MJ082295	5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 3-Benzoyl, 7,9-di-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082296	7,8-Epoxy-2,3,14-trihydroxybufa-20,22-dienolide, Glycoside 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082297	Elaeodendroside B; 16?-Acetoxy 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082298	Elaeodendroside B; 3'-Epimer, 16?-Acetoxy 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082299	Gomphoside; 3'-Epimer, 19-oxo, 3'-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082300	Ingol; 12-Tigloyl, 3,7,8-tri-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082301	Ingol; 7-Angeloyl, 3,8,12-tri-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082302	Ingol; 7-Tigloyl, 3,8,12-tri-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082303	Ingol; 8-Angeloyl, 3,7,12-tri-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082304	Ingol; 8-Tigloyl, 3,7,12-tri-Ac 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082305	Papulacandin D 	C31H42O10	574.277797	NA	MeJP	NA	NA
+MJ082306	Tyledoside F 	C31H42O10	574.277797	NA	MeJP	NA	NA
+C08849	Asclepin	C31H42O10	574.2778	NA	KEGG	NA	NA
+PJ006229	APKEM 	C24H42N6O8S	574.2785	NA	PeJP	NA	NA
+PJ006230	VFFY 	C32H38N4O6	574.2792	NA	PeJP	NA	NA
+PJ006231	DERR 	C21H38N10O9	574.2823	NA	PeJP	NA	NA
+PJ006232	GGGTQR 	C21H38N10O9	574.2824	NA	PeJP	NA	NA
+PJ006233	VDRW 	C26H38N8O7	574.2864	NA	PeJP	NA	NA
+C11225	Herbimycin	C30H42N2O9	574.289	NA	KEGG	NA	NA
+MJ082307	Herbimycin A 	C30H42N2O9	574.28903	NA	MeJP	NA	NA
+MJ082308	Ranaconine; 10?-Hydroxy, O4-(2-aminobenzoyl) 	C30H42N2O9	574.28903	NA	MeJP	NA	NA
+PJ006234	APTMR 	C23H42N8O7S	574.2897	NA	PeJP	NA	NA
+PJ006235	ALWW 	C31H38N6O5	574.2904	NA	PeJP	NA	NA
+MJ082309	4-[2,4,6-Trihydroxy-3-(9-tetradecenoyl)phenyl]-4',7-dihydroxyflavan 	C35H42O7	574.293053	NA	MeJP	NA	NA
+MJ082310	Vilasinin; 1-Benzoyl, 3-Ac 	C35H42O7	574.293053	NA	MeJP	NA	NA
+PJ006236	GLKEE 	C24H42N6O10	574.2963	NA	PeJP	NA	NA
+MJ082311	Petuniasterone A; 17?-Hydroxy 	C32H46O7S	574.296424	NA	MeJP	NA	NA
+MJ082312	Petuniasterone A; 30-Hydroxy 	C32H46O7S	574.296424	NA	MeJP	NA	NA
+PJ006237	GPKHH 	C25H38N10O6	574.2976	NA	PeJP	NA	NA
+MJ082313	7(14)-Bisabolene-1,2,3,4,5,8,9,10,11-nonol; 2-Angeloyl, 5,8-bis(2-methylpropanoyl) 	C28H46O12	574.298926	NA	MeJP	NA	NA
+MJ082314	Thesine 	C34H42N2O6	574.304287	NA	MeJP	NA	NA
+PJ006238	GTLER 	C23H42N8O9	574.3075	NA	PeJP	NA	NA
+PJ006239	LKEW 	C28H42N6O7	574.3115	NA	PeJP	NA	NA
+MJ082315	2,16,19,20,25-Pentahydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac 	C32H46O9	574.314183	NA	MeJP	NA	NA
+MJ082316	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 12-Ac 	C32H46O9	574.314183	NA	MeJP	NA	NA
+MJ082317	3,7,12-Trihydroxy-11,15,23-trioxolanost-8-en-26-oic acid, 7-Ketone, 15?-alcohol, 12-Ac 	C32H46O9	574.314183	NA	MeJP	NA	NA
+MJ082318	Aplysiatoxin; Debromo, 3-deoxy, 3,4-didehydro 	C32H46O9	574.314183	NA	MeJP	NA	NA
+MJ082319	Piscidinol D 	C32H46O9	574.314183	NA	MeJP	NA	NA
+MetaCyc03880	cucurbitacin A []	C32H46O9	574.314183	NA	metacyc	NA	NA
+C08793	Cucurbitacin A	C32H46O9	574.3142	NA	KEGG	NA	NA
+PJ006240	SPLKM 	C25H46N6O7S	574.3149	NA	PeJP	NA	NA
+MJ082320	23-Methylergost-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate 	C29H50O9S	574.317553	NA	MeJP	NA	NA
+PJ006241	GSQKR 	C22H42N10O8	574.3187	NA	PeJP	NA	NA
+PJ006242	TLRW 	C27H42N8O6	574.3228	NA	PeJP	NA	NA
+PJ006243	GVLMR 	C24H46N8O6S	574.3261	NA	PeJP	NA	NA
+PJ006244	TTLLQ 	C25H46N6O9	574.3326	NA	PeJP	NA	NA
+PJ006245	SVLKE 	C25H46N6O9	574.3327	NA	PeJP	NA	NA
+PJ006246	PFRR 	C26H42N10O5	574.334	NA	PeJP	NA	NA
+PJ006247	LMRR 	C23H46N10O5S	574.3374	NA	PeJP	NA	NA
+PJ006248	SSLLR 	C24H46N8O8	574.3439	NA	PeJP	NA	NA
+PJ006249	APLKF 	C29H46N6O6	574.3479	NA	PeJP	NA	NA
+MJ082321	Microginin 91A 	C28H51ClN4O6	574.349713	NA	MeJP	NA	NA
+MJ082322	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-Ac, 30-Me ester 	C33H50O8	574.350568	NA	MeJP	NA	NA
+MJ082323	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Octanoyl, 12-(2S-methylbutanoyl) 	C33H50O8	574.350568	NA	MeJP	NA	NA
+MJ082324	Cephalosporin P1 	C33H50O8	574.350568	NA	MeJP	NA	NA
+MJ082325	Milbemycin ?2; 6S-Hydroxy 	C33H50O8	574.350568	NA	MeJP	NA	NA
+MJ082326	Spirosta-5,25(27)-dien-3-ol; 3?-form, 3-O-?-D-Glucopyranoside 	C33H50O8	574.350568	NA	MeJP	NA	NA
+PJ006250	ALLKM 	C26H50N6O6S	574.3513	NA	PeJP	NA	NA
+PJ006251	GSKKR 	C23H46N10O7	574.3551	NA	PeJP	NA	NA
+MJ082327	3,11-Dihydroxy-12-ursen-28-oic acid, 11-Ketone, 3-benzoyl 	C37H50O5	574.365824	NA	MeJP	NA	NA
+MJ082328	3,6-Dihydroxy-12-ursen-28-oic acid, 6-Ketone, 3-benzoyl 	C37H50O5	574.365824	NA	MeJP	NA	NA
+PJ006252	TTLLK 	C26H50N6O8	574.369	NA	PeJP	NA	NA
+PJ006253	ATKKK 	C25H50N8O7	574.3803	NA	PeJP	NA	NA
+MJ082329	12,16-Dihydroxy-20,24-dimethyl-24-oxo-25-scalaranal, 16-(3-Hydroxypentanoyl), 12-Ac 	C34H54O7	574.386954	NA	MeJP	NA	NA
+MJ082330	12-Oleanene-3,16,22,23,28-pentol, 22,28-Di-Ac 	C34H54O7	574.386954	NA	MeJP	NA	NA
+MJ082331	4,5,9,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Tetradecanoyl 	C34H54O7	574.386954	NA	MeJP	NA	NA
+MJ082332	Antibiotic YW 3548 	C34H54O7	574.386954	NA	MeJP	NA	NA
+MJ082333	Irumanolide I 	C34H54O7	574.386954	NA	MeJP	NA	NA
+MJ082334	Oxohygrolidin 	C34H54O7	574.386954	NA	MeJP	NA	NA
+MJ082335	3-Hydroxy-12-oleanen-29-oic acid; 3?-form, 3-Benzoyl, Me ester 	C38H54O4	574.40221	NA	MeJP	NA	NA
+MJ082336	6,8-Multifloradiene-3,29-diol; 3?-form, 3-(4-Methoxybenzoyl) 	C38H54O4	574.40221	NA	MeJP	NA	NA
+MJ082337	12-Oleanene-3,15,16,22,28-pentol, 22-O-(2-Methylbutanoyl) 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082338	14-Serratene-3,21-diol, 3-O-?-L-Arabinopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082339	Stigmasta-5,22-dien-3-ol, 3-O-?-D-Galactopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082340	Stigmasta-5,22-dien-3-ol, 3-O-?-D-Glucopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082341	Stigmasta-5,24(28)-dien-3-ol, 3-O-?-D-Glucopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082342	Stigmasta-5,24(28)-dien-3-ol, 3-O-?-D-Galactopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082343	Stigmasta-5,25-dien-3-ol, 3-O-?-D-Glucopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082344	Stigmasta-7,22-dien-3-ol, O-?-D-Glucopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082345	Stigmasta-7,22-dien-3-ol, O-?-D-Galactopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082346	Stigmasta-7,22-dien-3-ol, O-?-D-Glucopyranoside 	C35H58O6	574.423339	NA	MeJP	NA	NA
+MJ082347	12-Oleanen-3-ol, O-[3-(4-Hydroxyphenyl)propanoyl] 	C39H58O3	574.438595	NA	MeJP	NA	NA
+MJ082348	29-Hopanol, O-(4-Hydroxycinnamoyl) 	C39H58O3	574.438595	NA	MeJP	NA	NA
+MJ082349	Lanost-24-ene-3,20-diol, 3-Cinnamoyl 	C39H58O3	574.438595	NA	MeJP	NA	NA
+MJ082350	1,3,25-Hexacosanetriol, 3-Ketone, 1-O-?-D-glucopyranoside 	C32H62O8	574.444468	NA	MeJP	NA	NA
+HMDB07077	DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C36H62O5	574.459717	NA	HMDB2010	NA	NA
+HMDB07329	DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)	C36H62O5	574.459717	NA	HMDB2010	NA	NA
+MJ082351	1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Hexadecanoyl 	C36H62O5	574.459725	NA	MeJP	NA	NA
+MJ082352	2-Heptacosyl-5,7-dihydroxy-4H-1-benzopyran-4-one; 2,3-Dihydro, 2-hydroxy 	C36H62O5	574.459725	NA	MeJP	NA	NA
+MJ082353	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-octacosanoyl 	C37H66O4	574.49611	NA	MeJP	NA	NA
+MJ082354	Dieporeticanin; Dieporeticanin 1 	C37H66O4	574.49611	NA	MeJP	NA	NA
+MJ082355	Dieporeticanin; Dieporeticanin 2 	C37H66O4	574.49611	NA	MeJP	NA	NA
+MJ082356	Diepoxyrollin 	C37H66O4	574.49611	NA	MeJP	NA	NA
+MJ082357	Montecristin 	C37H66O4	574.49611	NA	MeJP	NA	NA
+MJ082358	7,11,15,19-Tetramethyl-3-methylene-2-(3,7,11-trimethyl-2-dodecenyl)-1-eicosanol 	C40H78O	574.605267	NA	MeJP	NA	NA
+MJ082359	Epoxylycopaene 	C40H78O	574.605267	NA	MeJP	NA	NA
+MJ082360	Trianthenol 	C40H78O	574.605267	NA	MeJP	NA	NA
+MetaCyc03881	D-myo-inositol (1,2,3,4,5)-pentakisphosphate [1-myo-inositol (1,2,3,4,5)-pentakisphosphate;inositol (1,2,3,4,5)-pentakisphosphate;myo-inositol (1,2,3,4,5)-pentakisphosphate;1L-myo-inositol (1,2,3,4,5)-pentakisphosphate;1D-myo-inositol (1,2,3,4,5)-pentakisphosphate;I(1,2,3,4,5)P5;Ins(1,2,3,4,5)P5;]	C6H12O21P5	574.855915	NA	metacyc	NA	NA
+MetaCyc03882	D-myo-inositol (1,2,3,5,6) pentakisphosphate [1D-myo-inositol (1,2,3,5,6) pentakisphosphate;Ins(1,2,3,5,6)P5;I(1,2,3,5,6)P5;]	C6H12O21P5	574.855915	NA	metacyc	NA	NA
+MetaCyc03883	D-myo-inositol (1,2,3,4,6)-pentakisphosphate [Ins(1,2,3,4,6)P5;1D-myo-inositol (1,2,3,4,6)-pentakisphosphate;inositol (1,2,3,4,6)-pentakisphosphate;]	C6H12O21P5	574.855915	NA	metacyc	NA	NA
+MetaCyc03884	D-myo-inositol (1,2,4,5,6)-pentakisphosphate [1D-myo-inositol 1,2,4,5,6-pentakisphosphate;myo-inositol 1,2,4,5,6-pentakisphosphate;inositol 1,2,4,5,6-pentakisphosphate;Ins(1,2,4,5,6)P5;]	C6H12O21P5	574.855915	20298-95-7	metacyc	NA	NA
+MetaCyc03885	D-myo-inositol (1,3,4,5,6)-pentakisphosphate [Ins(1,3,4,5,6)P5;1D-myo-inositol (1,3,4,5,6)-pentakisphosphate;inositol (1,3,4,5,6)-pentakisphosphate;I(1,3,4,5,6)P5;]	C6H12O21P5	574.855915	NA	metacyc	NA	NA
+C06886	Cefotetan	C17H17N7O8S4	575.0021	NA	KEGG	NA	NA
+MJ082361	Cefotetan 	C17H17N7O8S4	575.002143	NA	MeJP	NA	NA
+C16424	Isopentenyladenosine-5'-triphosphate	C15H24N5O13P3	575.0583	NA	KEGG	NA	NA
+MetaCyc03886	isopentenyladenosine-5'-triphosphate [iPTP;isopentenyladenosine riboside-5'-triphosphate;iPRTP;]	C15H24N5O13P3	575.058345	NA	metacyc	NA	NA
+CJpos0823	Hippuric acid [(3M-H+Ca)]+	C27H26CaN3O9	575.121075	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0823	Hippuric acid [(3M-H+Ca)]+	C27H26CaN3O9	575.121075	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+C11933	dTDP-D-mycaminose	C18H31N3O14P2	575.1281	NA	KEGG	NA	NA
+PJ006254	GCCMY 	C22H33N5O7S3	575.1542	NA	PeJP	NA	NA
+C12472	Novclobiocin 105	C28H30ClNO10	575.1558	NA	KEGG	NA	NA
+MJ082362	Cartormin 	C27H29NO13	575.16389	NA	MeJP	NA	NA
+PJ006255	SCDDH 	C20H29N7O11S	575.1646	NA	PeJP	NA	NA
+PJ006256	PDDDD 	C21H29N5O14	575.1711	NA	PeJP	NA	NA
+PJ006257	STCCY 	C22H33N5O9S2	575.172	NA	PeJP	NA	NA
+C14855	4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene	C30H29N3O7S	575.1726	NA	KEGG	NA	NA
+C14856	7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene	C30H29N3O7S	575.1726	NA	KEGG	NA	NA
+C11603	Monochloro-monoglutathionyl melphalan	C23H34ClN5O8S	575.1817	NA	KEGG	NA	NA
+PJ006258	GCEMH 	C21H33N7O8S2	575.1832	NA	PeJP	NA	NA
+PJ006259	GCCFF 	C26H33N5O6S2	575.1872	NA	PeJP	NA	NA
+PJ006260	CMHW 	C25H33N7O5S2	575.1985	NA	PeJP	NA	NA
+PJ006261	SSDMH 	C21H33N7O10S	575.201	NA	PeJP	NA	NA
+PJ006262	CQYY 	C26H33N5O8S	575.205	NA	PeJP	NA	NA
+PJ006263	SPDEE 	C22H33N5O13	575.2075	NA	PeJP	NA	NA
+PJ006264	PPCEM 	C23H37N5O8S2	575.2084	NA	PeJP	NA	NA
+C07206	Zafirlukast	C31H33N3O6S	575.209	NA	KEGG	NA	NA
+MJ082363	Zafirlukast 	C31H33N3O6S	575.209006	NA	MeJP	NA	NA
+PJ006265	GPCNW 	C25H33N7O7S	575.2162	NA	PeJP	NA	NA
+PJ006266	GGGPCW 	C25H33N7O7S	575.2163	NA	PeJP	NA	NA
+PJ006267	GNQEE 	C21H33N7O12	575.2187	NA	PeJP	NA	NA
+PJ006268	GGGQEE 	C21H33N7O12	575.2188	NA	PeJP	NA	NA
+PJ006269	GTMMH 	C22H37N7O7S2	575.2196	NA	PeJP	NA	NA
+PJ006270	GSSYY 	C26H33N5O10	575.2228	NA	PeJP	NA	NA
+PJ006271	APEEM 	C23H37N5O10S	575.2261	NA	PeJP	NA	NA
+PJ006272	GNDDR 	C20H33N9O11	575.23	NA	PeJP	NA	NA
+PJ006273	NQEW 	C25H33N7O9	575.234	NA	PeJP	NA	NA
+MJ082364	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,2,6,15-tetra-Ac 	C29H37NO11	575.236661	NA	MeJP	NA	NA
+MJ082365	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,6,8,14-tetra-Ac 	C29H37NO11	575.236661	NA	MeJP	NA	NA
+PJ006274	STTMH 	C22H37N7O9S	575.2374	NA	PeJP	NA	NA
+PJ006275	CKYY 	C27H37N5O7S	575.2414	NA	PeJP	NA	NA
+PJ006276	GLEEE 	C23H37N5O12	575.2439	NA	PeJP	NA	NA
+PJ006277	PPTMM 	C24H41N5O7S2	575.2448	NA	PeJP	NA	NA
+PJ006278	GPEHH 	C24H33N9O8	575.2452	NA	PeJP	NA	NA
+MJ082366	3-[2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide 	C32H37N3O5S	575.245391	NA	MeJP	NA	NA
+PJ006279	SPCNR 	C21H37N9O8S	575.2486	NA	PeJP	NA	NA
+PJ006280	GQWW 	C29H33N7O6	575.2493	NA	PeJP	NA	NA
+MJ082367	Antibiotic SF 2587C 	C33H37NO8	575.251917	NA	MeJP	NA	NA
+PJ006281	AAMHF 	C26H37N7O6S	575.2526	NA	PeJP	NA	NA
+PJ006282	GNKEE 	C22H37N7O11	575.2551	NA	PeJP	NA	NA
+MJ082368	Foroxymithine 	C22H37N7O11	575.255105	NA	MeJP	NA	NA
+PJ006283	LEEW 	C27H37N5O9	575.2592	NA	PeJP	NA	NA
+PJ006284	PHHW 	C28H33N9O5	575.2605	NA	PeJP	NA	NA
+PJ006285	SPLEM 	C24H41N5O9S	575.2625	NA	PeJP	NA	NA
+MJ082369	Anthraserpine 	C32H37N3O7	575.26315	NA	MeJP	NA	NA
+3807	peptide from soybean b-conglycinin (Glycine max)	LLPHHADADY	575.2634	MH2+	Inhouse_peptide	NA	peptide
+PJ006286	GSQER 	C21H37N9O10	575.2664	NA	PeJP	NA	NA
+PJ006287	NKEW 	C26H37N7O8	575.2704	NA	PeJP	NA	NA
+MJ082370	Nodusmicin; 19,20-Dimethoxy, 9-(1H-pyrrole-2-carboxylate) 	C30H41NO10	575.273046	NA	MeJP	NA	NA
+PJ006288	GLQQM 	C23H41N7O8S	575.2737	NA	PeJP	NA	NA
+PJ006289	SPNKM 	C23H41N7O8S	575.2738	NA	PeJP	NA	NA
+MJ082371	Carolisterol A; 6-Ketone 	C27H45NO10S	575.276417	NA	MeJP	NA	NA
+PJ006290	PPCLF 	C28H41N5O6S	575.2778	NA	PeJP	NA	NA
+PJ006291	SVLEE 	C24H41N5O11	575.2803	NA	PeJP	NA	NA
+PJ006292	PCLLM 	C25H45N5O6S2	575.2811	NA	PeJP	NA	NA
+PJ006293	PVVMM 	C25H45N5O6S2	575.2812	NA	PeJP	NA	NA
+PJ006294	SQRW 	C25H37N9O7	575.2816	NA	PeJP	NA	NA
+PJ006295	AAQMR 	C22H41N9O7S	575.285	NA	PeJP	NA	NA
+PJ006296	GKWW 	C30H37N7O5	575.2856	NA	PeJP	NA	NA
+PJ006297	GDKKE 	C23H41N7O10	575.2915	NA	PeJP	NA	NA
+PJ006298	SPPLY 	C28H41N5O8	575.2955	NA	PeJP	NA	NA
+PJ006299	NMRR 	C21H41N11O6S	575.2962	NA	PeJP	NA	NA
+2704	erythromycin inhibitor	MGQKL	575.2974	NA	Inhouse_peptide	NA	peptide
+EUR925	Lyso PE 24:6 [M+Na]+	C29H48NO7P	575.298788	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR925	Lyso PE 24:6 [M+Na]+	C29H48NO7P	575.298788	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR925	Lyso PE 24:6 [M+Na]+	C29H48NO7P	575.298788	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR925	Lyso PE 24:6 [M+Na]+	C29H48NO7P	575.298788	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006300	ALLEM 	C25H45N5O8S	575.2989	NA	PeJP	NA	NA
+2619	synthetic fr,of human beta-CN (92-101) ACE inhibitor	TVYTKGRVMP	575.3007	MH2+	Inhouse_peptide	NA	peptide
+PJ006301	GSKER 	C22H41N9O9	575.3027	NA	PeJP	NA	NA
+PJ006302	ASDKR 	C22H41N9O9	575.3028	NA	PeJP	NA	NA
+PJ006303	DKKW 	C27H41N7O7	575.3068	NA	PeJP	NA	NA
+MJ082372	Viridiofungin A; 4''-Deoxy 	C31H45NO9	575.309432	NA	MeJP	NA	NA
+PJ006304	GLQKM 	C24H45N7O7S	575.3101	NA	PeJP	NA	NA
+PJ006305	GGALKM 	C24H45N7O7S	575.3102	NA	PeJP	NA	NA
+MJ082373	?-Ergocryptine 	C32H41N5O5	575.310769	NA	MeJP	NA	NA
+MJ082374	Ergocornine; Me ether 	C32H41N5O5	575.310769	NA	MeJP	NA	NA
+MJ082375	Mauritine A 	C32H41N5O5	575.310769	NA	MeJP	NA	NA
+MJ082376	?-Ergocryptine 	C32H41N5O5	575.310769	NA	MeJP	NA	NA
+C07545	alpha-Ergocryptine	C32H41N5O5	575.3108	NA	KEGG	NA	NA
+PJ006306	GSTRR 	C21H41N11O8	575.314	NA	PeJP	NA	NA
+PJ006307	TTLLE 	C25H45N5O10	575.3167	NA	PeJP	NA	NA
+PJ006308	SKRW 	C26H41N9O6	575.318	NA	PeJP	NA	NA
+MJ082377	Detoxin D1; O-De-Ac, O-(2-methylpropanoyl) 	C30H45N3O8	575.320665	NA	MeJP	NA	NA
+MJ082378	Detoxin D1; O-De-Ac, O-butanoyl 	C30H45N3O8	575.320665	NA	MeJP	NA	NA
+PJ006309	AAKMR 	C23H45N9O6S	575.3214	NA	PeJP	NA	NA
+EUR907	Lyso PE 22:4 [M+FA-H]-	C27H48NO7P	575.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR907	Lyso PE 22:4 [M+FA-H]-	C27H48NO7P	575.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR907	Lyso PE 22:4 [M+FA-H]-	C27H48NO7P	575.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR907	Lyso PE 22:4 [M+FA-H]-	C27H48NO7P	575.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR748	Lyso PC 18:4 [M-H+acetate]-	C26H46NO7P	575.322292	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR748	Lyso PC 18:4 [M-H+acetate]-	C26H46NO7P	575.322292	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR748	Lyso PC 18:4 [M-H+acetate]-	C26H46NO7P	575.322292	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR748	Lyso PC 18:4 [M-H+acetate]-	C26H46NO7P	575.322292	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006310	ATKKE 	C24H45N7O9	575.3279	NA	PeJP	NA	NA
+2666	synthetic fr, of human beta-CN (125-129) ACE inhibitor	HLPLP	575.33	NA	Inhouse_peptide	NA	peptide
+PJ006311	APLLY 	C29H45N5O7	575.3319	NA	PeJP	NA	NA
+PJ006312	SLLLM 	C26H49N5O7S	575.3353	NA	PeJP	NA	NA
+PJ006313	ATTKR 	C23H45N9O8	575.3391	NA	PeJP	NA	NA
+PJ006314	GPKKF 	C28H45N7O6	575.3432	NA	PeJP	NA	NA
+MJ082379	Zygadenine; O3-Angeloyl 	C32H49NO8	575.345817	NA	MeJP	NA	NA
+PJ006315	GLKKM 	C25H49N7O6S	575.3465	NA	PeJP	NA	NA
+3669	NA	KKWHLRKR	575.3525	MH2+	Inhouse_peptide	NA	peptide
+PJ006316	STLKK 	C25H49N7O8	575.3643	NA	PeJP	NA	NA
+MJ082380	Erythromycin; 3-O-Deglycosyl 	C29H53NO10	575.366946	NA	MeJP	NA	NA
+PJ006317	ALLLF 	C30H49N5O6	575.3683	NA	PeJP	NA	NA
+MJ082381	16,28-Secosolanida-5,22(28)-diene-3,16-diol, 3-O-?-D-Glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082382	3,6-Cevanediol, 6-Ketone, 3-O-?-D-glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082383	3,6-Cevanediol, 3-Ketone, 6-O-?-D-glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082384	3,6-Cevanediol, 6-Ketone, 3-O-?-D-glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082385	Isorubijervine; O3-?-D-Glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082386	Leptinidine; 3-O-?-D-Glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082387	Petiline, O-?-D-Glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082388	Solangustidine; Glucoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+MJ082389	Spirosol-5-en-3-ol, 3-O-?-D-Glucopyranoside 	C33H53NO7	575.382203	NA	MeJP	NA	NA
+HMDB10400	LysoPC(22:2(13Z,16Z))	C30H58NO7P	575.395081	NA	HMDB2010	NA	NA
+EUR779	Lyso PC 22:2 monoisotopic mass 	C30H58NO7P	575.395092	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR779	Lyso PC 22:2 monoisotopic mass 	C30H58NO7P	575.395092	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR779	Lyso PC 22:2 monoisotopic mass 	C30H58NO7P	575.395092	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR779	Lyso PC 22:2 monoisotopic mass 	C30H58NO7P	575.395092	masses lipides attendues	Inhousejuil11	NA	NA
+MJ082390	Sulfobacin B 	C32H65NO5S	575.458344	NA	MeJP	NA	NA
+MJ082391	35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol, 30-Deoxy 	C36H65NO4	575.491359	NA	MeJP	NA	NA
+MJ082392	2',3,4,4',5-Pentabromo-2-hydroxydiphenyl ether 	C12H5Br5O2	575.620642	NA	MeJP	NA	NA
+MJ082393	2',3,4,4'-Tetrabromo-2-hydroxydiphenyl ether; 6-Bromo 	C12H5Br5O2	575.620642	NA	MeJP	NA	NA
+MJ082394	2,2',3,4,4'-Pentabromo-6-hydroxydiphenyl ether 	C12H5Br5O2	575.620642	NA	MeJP	NA	NA
+MJ082395	2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether 	C12H5Br5O2	575.620642	NA	MeJP	NA	NA
+7373	celiac sprue gluten epitope found in hordein	PRPQQPFPW	575.786	MH2+	Inhouse_peptide	NA	peptide
+MJ082396	Tetrafucol A; 5'-Bromo 	C24H17BrO12	575.990338	NA	MeJP	NA	NA
+MJ082397	Vinaxanthone 	C28H16O14	576.054005	NA	MeJP	NA	NA
+MJ082398	[29H,31H-Phthalocyaninato(2-)-N29,N30,N31,N32]zinc 	C32H16N8Zn	576.078939	NA	MeJP	NA	NA
+MJ082399	Aurantricholone 	C33H20O10	576.105646	NA	MeJP	NA	NA
+MJ082400	Arbutin; 4,6-Bis-O-(3,4,5-trihydroxybenzoyl) 	C26H24O15	576.11152	NA	MeJP	NA	NA
+FL5FAGGS0035	Myricetin 3-(2'',3'',4''-triacetylxyloside);5,7-Dihydroxy-3-[(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C26H24O15	576.11152	481070-27-3	knapsack	NA	NA
+CJpos0824	Hippuric acid [(3M-H+Ca)]+ (13C)	C2613CH26CaN3O9	576.124475	C18rt(min)=5.87 Pos identified a,c,d	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0824	Hippuric acid [(3M-H+Ca)]+ (13C)	C2613CH26CaN3O9	576.124475	C18rt(min)=5.87 Pos identified a,c,d	base_CJunot_PubAnalChem2012_POS	positive	NA
+MJ082401	Bisbendazole 	C28H28N6S4	576.125827	NA	MeJP	NA	NA
+MJ082402	3,3',4',5,7-Pentahydroxyflavan(2?5,4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H24O12	576.126776	NA	MeJP	NA	NA
+MJ082403	3,3',4',5,7-Pentahydroxyflavan(2?7,4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H24O12	576.126776	NA	MeJP	NA	NA
+MJ082404	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavanone 	C30H24O12	576.126776	NA	MeJP	NA	NA
+MJ082405	Procyanidin A1 	C30H24O12	576.126776	NA	MeJP	NA	NA
+C10237	Proanthocyanidin A2	C30H24O12	576.1268	NA	KEGG	NA	NA
+MJ082406	Mulberrofuran S 	C34H24O9	576.142032	NA	MeJP	NA	NA
+MJ082407	Plumbazeylanone 	C34H24O9	576.142032	NA	MeJP	NA	NA
+FL1C3CGS0006	Okanin 4'-(2'',4'',6''-triacetylglucoside)	C27H28O14	576.1479	115070-74-1	knapsack	NA	NA
+FL1C3CGS0007	Okanin 4'-(3'',4'',6''-triacetylglucoside)	C27H28O14	576.1479	135618-14-3	knapsack	NA	NA
+FL2F3CGS0003	7,8,3',4'-Tetrahydroxyflavanone 7-(2,4,6-triacetylglucoside)	C27H28O14	576.1479	194600-21-0	knapsack	NA	NA
+FL3FAACS0041	Vitexin 6''-(3-hydroxy-3-methylglutarate)	C27H28O14	576.1479	154639-29-9	knapsack	NA	NA
+FL3FAAGS0067	Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];Chamaemeloside;7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H28O14	576.1479	173356-77-9	knapsack	NA	NA
+FL3FACCS0044	Maysin	C27H28O14	576.1479	70255-49-1	knapsack	NA	NA
+FL3FACCS0054	Cassiaoccidentalin B;6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H28O14	576.1479	259876-00-1	knapsack	NA	NA
+MJ082408	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-(3,4,6-Tri-O-acetyl-?-D-glucopyranoside) 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082409	2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 2'-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082410	3',4',7,8-Tetrahydroxyflavanone, 7-O-(2,4,6-Tri-O-acetyl-?-D-glucopyranoside) 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082411	5,7-Dihydroxy-4'-methoxy-8-hexosyl-6-pentosylflavone 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082412	Cassiaoccidentalin B 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082413	Cosmosiin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082414	Maysin 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082415	Trilobatin A; 1''-Me ester 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082416	Vitexin; 6''-O-(3-Hydroxy-3-methylglutaroyl) 	C27H28O14	576.147905	NA	MeJP	NA	NA
+MJ082417	Cardinalin 4 	C31H28O11	576.163161	NA	MeJP	NA	NA
+MJ082418	Cercosporin; Diastereoisomer, 2'-Ac 	C31H28O11	576.163161	NA	MeJP	NA	NA
+MJ082419	Ventiloquinone N 	C31H28O11	576.163161	NA	MeJP	NA	NA
+PJ006318	SCCQH 	C20H32N8O8S2	576.1785	NA	PeJP	NA	NA
+MJ082420	Dexamethasone; 21-(3-Sulfobenzoyl) 	C29H33FO9S	576.182931	NA	MeJP	NA	NA
+FLIA1AGS0006	Formononetin 7-O-rutinoside	C28H32O13	576.18429	51351-35-0	knapsack	NA	NA
+MJ082421	10-Hydroxyaloin, 1''-O-(3-Hydroxy-2-methylbutanoyl)(2R,3S-), 6'-Ac 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082422	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 14-(3-methyl-2-butenoyl), 9,13-di-Ac 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082423	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2-Methylpropenoyl), 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082424	5,6,7-Trihydroxyflavone; 7-Me ether, 6-O-[?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside] 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082425	7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082426	7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082427	Antibiotic MM 44785 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082428	Podophyllotoxin; 7-O-?-D-Glucopyranoside 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082429	Podophyllotoxin; 8'-Epimer, O-?-D-glucopyranoside 	C28H32O13	576.184291	NA	MeJP	NA	NA
+MJ082430	?-Peltatin; 4'-Me ether, 6-O-?-D-glucopyranoside 	C28H32O13	576.184291	NA	MeJP	NA	NA
+PJ006319	PCNDE 	C21H32N6O11S	576.185	NA	PeJP	NA	NA
+PJ006320	CEYY 	C26H32N4O9S	576.189	NA	PeJP	NA	NA
+PJ006321	GSSSCH 	C20H32N8O10S	576.1962	NA	PeJP	NA	NA
+PJ006322	GPCDW 	C25H32N6O8S	576.2003	NA	PeJP	NA	NA
+PJ006323	GNEEE 	C21H32N6O13	576.2028	NA	PeJP	NA	NA
+PJ006324	GPPTCC 	C22H36N6O8S2	576.2036	NA	PeJP	NA	NA
+PJ006325	GCNHF 	C24H32N8O7S	576.2115	NA	PeJP	NA	NA
+PJ006326	GDDDR 	C20H32N8O12	576.214	NA	PeJP	NA	NA
+PJ006327	SCCKH 	C21H36N8O7S2	576.2149	NA	PeJP	NA	NA
+PJ006328	NEEW 	C25H32N6O10	576.218	NA	PeJP	NA	NA
+MJ082431	1,6,8,14,30-Pentahydroxy-3-oxo[3.3.110,2.11,4]tricyclomeliac-7-oic acid; 1-Ac, Me ester 	C29H36O12	576.220676	NA	MeJP	NA	NA
+MJ082432	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-O-Cinnamoyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O12	576.220676	NA	MeJP	NA	NA
+MJ082433	Hinokiresinol, Di-O-?-D-glucopyranoside 	C29H36O12	576.220676	NA	MeJP	NA	NA
+PJ006329	SPNEM 	C22H36N6O10S	576.2214	NA	PeJP	NA	NA
+MJ082434	Saframycin AD-1 	C30H32N4O8	576.222014	NA	MeJP	NA	NA
+PJ006330	TMYY 	C27H36N4O8S	576.2254	NA	PeJP	NA	NA
+MJ082435	Dehatridine 	C35H32N2O6	576.226036	NA	MeJP	NA	NA
+MJ082436	Kohatine; 1',2'-Didehydro, O12'-Me 	C35H32N2O6	576.226036	NA	MeJP	NA	NA
+MJ082437	Kohatine; 1',2'-Didehydro, di-Me ether, N2-De-Me 	C35H32N2O6	576.226036	NA	MeJP	NA	NA
+MJ082438	Menisarine; O-De-Me 	C35H32N2O6	576.226036	NA	MeJP	NA	NA
+MJ082439	Philogaline 	C35H32N2O6	576.226036	NA	MeJP	NA	NA
+MJ082440	Stephasubine; N-De-Me 	C35H32N2O6	576.226036	NA	MeJP	NA	NA
+PJ006331	GSNNW 	C24H32N8O9	576.2292	NA	PeJP	NA	NA
+PJ006332	GGGSNW 	C24H32N8O9	576.2293	NA	PeJP	NA	NA
+PJ006333	SPCDR 	C21H36N8O9S	576.2326	NA	PeJP	NA	NA
+PJ006334	GEWW 	C29H32N6O7	576.2333	NA	PeJP	NA	NA
+MJ082441	Morellin; 29-Carboxylic acid, ?18-isomer, 17-hydroxy 	C33H36O9	576.235932	NA	MeJP	NA	NA
+PJ006335	GSPMW 	C26H36N6O7S	576.2366	NA	PeJP	NA	NA
+PJ006336	ATQEE 	C22H36N6O12	576.2391	NA	PeJP	NA	NA
+PJ006337	GDKEE 	C22H36N6O12	576.2392	NA	PeJP	NA	NA
+PJ006338	APQMM 	C23H40N6O7S2	576.24	NA	PeJP	NA	NA
+MJ082442	Ebuloside; 6'-O-Apiosyl 	C26H40O14	576.241805	NA	MeJP	NA	NA
+MJ082443	Jasmesosidic acid; 9''-Hydroxy 	C26H40O14	576.241805	NA	MeJP	NA	NA
+MJ082444	Cholest-5-ene-2,3,21-triol, 24,25-Didehydro, 2,21-disulfate 	C27H44O9S2	576.242674	NA	MeJP	NA	NA
+MJ082445	Cholesta-5,22-diene-2,3,21-triol, 3,21-Disulfate 	C27H44O9S2	576.242674	NA	MeJP	NA	NA
+MJ082446	Cholesta-5,22-diene-3,4,21-triol, 3,21-Disulfate 	C27H44O9S2	576.242674	NA	MeJP	NA	NA
+MJ082447	Cholesta-5,25-diene-3,4,21-triol, 3,21-Disulfate 	C27H44O9S2	576.242674	NA	MeJP	NA	NA
+PJ006339	GCNQR 	C20H36N10O8S	576.2438	NA	PeJP	NA	NA
+PJ006340	GGGCQR 	C20H36N10O8S	576.2439	NA	PeJP	NA	NA
+MJ082448	Deserpideine 	C32H36N2O8	576.247166	NA	MeJP	NA	NA
+MJ082449	Picraline; 10-Methoxy, Na-Me, O-de-Ac, O-(3,4-dimethoxybenzoyl) 	C32H36N2O8	576.247166	NA	MeJP	NA	NA
+MJ082450	Polycephalin C 	C32H36N2O8	576.247166	NA	MeJP	NA	NA
+MJ082451	Vincamajine; 10-Hydroxy, O-(3,4,5-trimethoxybenzoyl) 	C32H36N2O8	576.247166	NA	MeJP	NA	NA
+MJ082452	Vincamajine; O-(3,4,5-Trimethoxybenzoyl), N4-oxide 	C32H36N2O8	576.247166	NA	MeJP	NA	NA
+PJ006341	WWW 	C33H32N6O4	576.2485	NA	PeJP	NA	NA
+PJ006342	GSEER 	C21H36N8O11	576.2504	NA	PeJP	NA	NA
+PJ006343	PVCCR 	C22H40N8O6S2	576.2512	NA	PeJP	NA	NA
+PJ006344	APCMR 	C22H40N8O6S2	576.2513	NA	PeJP	NA	NA
+PJ006345	DKEW 	C26H36N6O9	576.2544	NA	PeJP	NA	NA
+PJ006346	HHHF 	C27H32N10O5	576.2557	NA	PeJP	NA	NA
+MJ082453	16-Kaurene-1,3,6,7,11,15-hexol, 15-Ketone, penta-Ac 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082454	16-Kaurene-2,3,6,7,11,15-hexol, 15-Ketone, penta-Ac 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082455	5,11,14-Trihydroxy-19-oxobufa-3,20,22-trienolide, 5-O-?-D-Glucopyranoside 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082456	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 2-Butanoyl, 4,9,14-tri-Ac 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082457	8,17-Epoxy-2,9,12,14-tetrahydroxy-3,5-briaradien-18,7-olide; 12-Butanoyl, 2,9,14-tri-Ac 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082458	Affinoside B; 4'?-Hydroxy 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082459	Anodendroside E1 	C30H40O11	576.257062	NA	MeJP	NA	NA
+MJ082460	Taxamaitriene 	C30H40O11	576.257062	NA	MeJP	NA	NA
+PJ006347	GLQEM 	C23H40N6O9S	576.2578	NA	PeJP	NA	NA
+PJ006348	TFFY 	C31H36N4O7	576.2584	NA	PeJP	NA	NA
+PJ006349	SSNNR 	C20H36N10O10	576.2616	NA	PeJP	NA	NA
+C09667	Tiliacorine	C36H36N2O5	576.2624	NA	KEGG	NA	NA
+MJ082461	Apateline; Me ether, N-Me 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+MJ082462	Dinklacorine 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+MJ082463	Isotrilobine 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+MJ082464	Tiliacorine 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+MJ082465	Tiliacorinine 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+MJ082466	Tiliaresine 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+MJ082467	Yanangcorinine 	C36H36N2O5	576.262422	NA	MeJP	NA	NA
+PJ006350	SERW 	C25H36N8O8	576.2656	NA	PeJP	NA	NA
+PJ006351	AAEMR 	C22H40N8O8S	576.269	NA	PeJP	NA	NA
+PJ006352	SVWW 	C30H36N6O6	576.2697	NA	PeJP	NA	NA
+MJ082468	Japoangelol A 	C34H40O8	576.272318	NA	MeJP	NA	NA
+MJ082469	Japoangelol B 	C34H40O8	576.272318	NA	MeJP	NA	NA
+MJ082470	Moreollin; (E)-Isomer, 10-O-de-Et, 10-O-Me 	C34H40O8	576.272318	NA	MeJP	NA	NA
+PJ006353	LQMW 	C27H40N6O6S	576.273	NA	PeJP	NA	NA
+PJ006354	ATKEE 	C23H40N6O11	576.2755	NA	PeJP	NA	NA
+PJ006355	APKMM 	C24H44N6O6S2	576.2764	NA	PeJP	NA	NA
+PJ006356	GVQHH 	C24H36N10O7	576.2769	NA	PeJP	NA	NA
+MJ082471	1,4,6,15-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 1-(2-Hydroxy-3-methylbutanoyl), 15-O-?-D-glucopyranoside, Me ester 	C27H44O13	576.278191	NA	MeJP	NA	NA
+MJ082472	3,11-Dihydroxy-3-eudesmen-2-one; 3,11-Di-O-?-D-glucopyranoside 	C27H44O13	576.278191	NA	MeJP	NA	NA
+PJ006357	DMRR 	C21H40N10O7S	576.2802	NA	PeJP	NA	NA
+PJ006358	GGGCKR 	C21H40N10O7S	576.2803	NA	PeJP	NA	NA
+3336	human beta-casein fr, 52-61	FAQTQSLVYP	576.2835	MH2+	Inhouse_peptide	NA	peptide
+7664	ACE inhibitor	YAEERYPIL	576.284	MH2+	Inhouse_peptide	NA	peptide
+PJ006359	CLRW 	C26H40N8O5S	576.2843	NA	PeJP	NA	NA
+PJ006360	ATTER 	C22H40N8O10	576.2868	NA	PeJP	NA	NA
+PJ006361	QHHR 	C23H36N12O6	576.2881	NA	PeJP	NA	NA
+PJ006362	GTTLW 	C27H40N6O8	576.2908	NA	PeJP	NA	NA
+MJ082473	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7-butanoyl, 6,18,19-tri-Ac 	C31H44O10	576.293447	NA	MeJP	NA	NA
+MJ082474	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside) 	C31H44O10	576.293447	NA	MeJP	NA	NA
+MJ082475	Ingol; 2-Epimer, 7-(2-methylbutanoyl), 3,8,12-tri-Ac 	C31H44O10	576.293447	NA	MeJP	NA	NA
+MJ082476	Ingol; 8-(2-Methylbutanoyl), 3,7,12-tri-Ac 	C31H44O10	576.293447	NA	MeJP	NA	NA
+MJ082477	Ingol; 8-(3-Methylbutanoyl), 3,7,12-tri-Ac 	C31H44O10	576.293447	NA	MeJP	NA	NA
+MJ082478	Oscillatoxin B1; 31-De-Me 	C31H44O10	576.293447	NA	MeJP	NA	NA
+PJ006363	PTTKM 	C24H44N6O8S	576.2941	NA	PeJP	NA	NA
+PJ006364	GLKEM 	C24H44N6O8S	576.2942	NA	PeJP	NA	NA
+MJ082479	2,3,4,6,7,22-Hexahydroxyergostan-15-one, 2-Sulfate 	C28H48O10S	576.296818	NA	MeJP	NA	NA
+7481	ACE inhibitor (fragment of k-casein: 185-190)	VTSTAV	576.299	antioxidative	Inhouse_peptide	NA	peptide
+PJ006365	AAPRY 	C26H40N8O7	576.302	NA	PeJP	NA	NA
+MJ082480	Antibiotic TAN 420; Antibiotic TAN 420E 	C30H44N2O9	576.304681	NA	MeJP	NA	NA
+PJ006366	GTLMR 	C23H44N8O7S	576.3054	NA	PeJP	NA	NA
+PJ006367	PKFW 	C31H40N6O5	576.306	NA	PeJP	NA	NA
+MJ082481	Tryptophyllin L 4.1 	C31H40N6O5	576.306018	NA	MeJP	NA	NA
+FL4DALNI0011	Sanggenol E;3,5,7,2',4'-Pentahydroxy-8,5'-diprenyl-3'-geranylflavanone	C35H44O7	576.3087	174423-34-8	knapsack	NA	NA
+MJ082482	Sanggenol E 	C35H44O7	576.308703	NA	MeJP	NA	NA
+MJ082483	Vilasinin; 20,21,22,23-Tetrahydro, 23-oxo, 1-cinnamoyl 	C35H44O7	576.308703	NA	MeJP	NA	NA
+PJ006368	LKMW 	C28H44N6O5S	576.3094	NA	PeJP	NA	NA
+PJ006369	STLKE 	C24H44N6O10	576.3119	NA	PeJP	NA	NA
+PJ006370	APPHR 	C25H40N10O6	576.3133	NA	PeJP	NA	NA
+2726	erythromycin inhibitor	MSLKV	576.3184	NA	Inhouse_peptide	NA	peptide
+MJ082484	Paspalinine; 14?-(2-Dimethylamino-3-methylbutoxy)(S-) 	C34H44N2O6	576.319937	NA	MeJP	NA	NA
+PJ006371	STTLR 	C23H44N8O9	576.3231	NA	PeJP	NA	NA
+PJ006372	GGSTKK 	C23H44N8O9	576.3232	NA	PeJP	NA	NA
+PJ006373	KHHR 	C24H40N12O5	576.3245	NA	PeJP	NA	NA
+PJ006374	GPLKY 	C28H44N6O7	576.3272	NA	PeJP	NA	NA
+MJ082485	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-(3-Hydroxyoctanoyl), 18,19-di-Ac 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082486	3,11,24-Trihydroxy-25,26,27-trinorcycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082487	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082488	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082489	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-L-arabino-hexopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082490	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-xylo-hexopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082491	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082492	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082493	3,14-Dihydroxycard-20(22)-enolide, 3-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082494	3,14-Dihydroxycard-20(22)-enolide, 3-O-(O-Acetyl-6-deoxy-3-O-methyl-?-L-allopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082495	3,14-Dihydroxycard-20(22)-enolide, 3-O-(O-Acetyl-6-deoxy-3-O-methyl-?-L-mannopyranoside) 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082496	Foetidinol; 3-O-?-D-Xylopyranoside 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082497	Galphimine B; 6?-Acetoxy 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MJ082498	Spirostane-2,3,4-triol, 3-Methoxalyl, 4-Ac 	C32H48O9	576.329833	NA	MeJP	NA	NA
+MetaCyc03887	23,24-dihydrocucurbitacin A []	C32H48O9	576.329833	NA	metacyc	NA	NA
+PJ006375	SVLKM 	C25H48N6O7S	576.3305	NA	PeJP	NA	NA
+PJ006376	AALFR 	C27H44N8O6	576.3384	NA	PeJP	NA	NA
+PJ006377	ACKKK 	C24H48N8O6S	576.3418	NA	PeJP	NA	NA
+MJ082499	Tetromycin B; 9-Ac 	C36H48O6	576.345089	NA	MeJP	NA	NA
+PJ006378	VFRR 	C26H44N10O5	576.3496	NA	PeJP	NA	NA
+MJ082500	Buxafuranamide 	C35H48N2O5	576.356322	NA	MeJP	NA	NA
+MJ082501	Buxapapinolamine 	C35H48N2O5	576.356322	NA	MeJP	NA	NA
+MJ082502	O10-Buxafuranamine 	C35H48N2O5	576.356322	NA	MeJP	NA	NA
+MJ082503	O6-Buxafuranamine 	C35H48N2O5	576.356322	NA	MeJP	NA	NA
+PJ006379	SSKKK 	C24H48N8O8	576.3595	NA	PeJP	NA	NA
+PJ006380	GLLKF 	C29H48N6O6	576.3636	NA	PeJP	NA	NA
+MJ082504	3,6-Dihydroxycholesta-9(11),24-dien-23-one, 6-O-(?-D-Glucopyranoside) 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082505	6-Hydroxyspirostan-3-one, 6-O-?-L-Rhamnopyranoside 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082506	Antibiotic PD 118576 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082507	Cholest-7-ene-3,4,6,11,22-pentol, 3,4,6-Tri-Ac 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082508	Cholest-8-ene-3,5,6,7,11-pentol, 3,6,7-Tri-Ac 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082509	Spirost-5-en-3-ol, 3-O-?-D-Galactopyranoside 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082510	Spirost-5-en-3-ol, 3-O-?-D-Glucopyranoside 	C33H52O8	576.366218	NA	MeJP	NA	NA
+MJ082511	3-Hydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxybenzoyl) 	C37H52O5	576.381474	NA	MeJP	NA	NA
+MJ082512	Exophilin A 	C30H56O10	576.387348	NA	MeJP	NA	NA
+MJ082513	Thorexanthin 	C41H52O2	576.39673	NA	MeJP	NA	NA
+MJ082514	1,5,6,7,14-Vouacapanepentol, O-Tetradecanoyl 	C34H56O7	576.402604	NA	MeJP	NA	NA
+MJ082515	Ergosta-5,24(28)-diene-3,7,16-triol, 3-O-?-L-Fucopyranoside 	C34H56O7	576.402604	NA	MeJP	NA	NA
+MJ082516	Phomenolactone 	C34H56O7	576.402604	NA	MeJP	NA	NA
+MJ082517	Raspacionin 	C34H56O7	576.402604	NA	MeJP	NA	NA
+MJ082518	Venturicidin B; Aglycone 	C34H56O7	576.402604	NA	MeJP	NA	NA
+3754	NA	KLKLLLKLKG	576.4085	MH2+	Inhouse_peptide	NA	peptide
+HMDB00977	3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid	C38H56O4	576.417847	NA	HMDB2010	NA	NA
+HMDB06820	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	C38H56O4	576.417847	NA	HMDB2010	NA	NA
+HMDB00977	3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid	C38H56O4	576.41785	http://www.hmdb.ca/metabolites/HMDB00977	HMDB	NA	NA
+HMDB06820	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	C38H56O4	576.41785	http://www.hmdb.ca/metabolites/HMDB06820	HMDB	NA	NA
+HMDB00977	3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid	C38H56O4	576.41785	HMDB00977	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06820	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	C38H56O4	576.41785	HMDB06820	PFEM_hmdb_metabocards_official	NA	NA
+MJ082519	12,28-Epoxy-3,28-ursanediol, 28-Me ether, 3-benzoyl 	C38H56O4	576.41786	NA	MeJP	NA	NA
+MJ082520	Ergost-5-en-3-ol, 4-Hydroxy-3-methoxycinnamoyl 	C38H56O4	576.41786	NA	MeJP	NA	NA
+MetaCyc03888	3-hexaprenyl-4-hydroxy-5-methoxybenzoate [3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid;]	C38H56O4	576.41786	NA	metacyc	NA	NA
+C05313	3-Hexaprenyl-4-hydroxy-5-methoxybenzoate	C38H56O4	576.4179	NA	KEGG	NA	NA
+C05805	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	C38H56O4	576.4179	NA	KEGG	NA	NA
+C05807	2-Polyprenylphenol	C11H14O	576.4179	NA	KEGG	NA	NA
+C05808	5-Hydroxy-2-polyprenylphenol	C11H14O2	576.4179	NA	KEGG	NA	NA
+MJ082521	10,10'-Methylenebis(norvallesamidine) 	C39H52N4	576.419197	NA	MeJP	NA	NA
+MJ082522	Menabitan 	C37H56N2O3	576.429093	NA	MeJP	NA	NA
+MJ082523	Dammarane-3,12,20,24,25-pentol, 24,25-Isopropylidene, 12-Ac 	C35H60O6	576.438989	NA	MeJP	NA	NA
+MJ082524	Stigmast-5-en-3-ol, O-?-D-Galactopyranoside 	C35H60O6	576.438989	NA	MeJP	NA	NA
+MJ082525	Stigmast-5-en-3-ol, O-?-D-Glucopyranoside 	C35H60O6	576.438989	NA	MeJP	NA	NA
+MJ082526	Stigmast-7-en-3-ol, 3-O-?-D-Glucopyranoside 	C35H60O6	576.438989	NA	MeJP	NA	NA
+MJ082527	1,3,25-Hexacosanetriol, 1-O-?-D-Glucopyranoside 	C32H64O8	576.460119	NA	MeJP	NA	NA
+MJ082528	2-Methyl-29-(1,2,3,4,5-pentahydroxypentyl)hopane 	C36H64O5	576.475375	NA	MeJP	NA	NA
+MJ082529	2-Methyl-29-(2,3,4,5-tetrahydroxypentyl)-29-hopanol 	C36H64O5	576.475375	NA	MeJP	NA	NA
+HMDB07075	DG(15:0/18:3(6Z,9Z,12Z)/0:0)	C36H64O5	576.475403	NA	HMDB2010	NA	NA
+HMDB07076	DG(15:0/18:3(9Z,12Z,15Z)/0:0)	C36H64O5	576.475403	NA	HMDB2010	NA	NA
+HMDB07271	DG(18:3(6Z,9Z,12Z)/15:0/0:0)	C36H64O5	576.475403	NA	HMDB2010	NA	NA
+HMDB07300	DG(18:3(9Z,12Z,15Z)/15:0/0:0)	C36H64O5	576.475403	NA	HMDB2010	NA	NA
+MJ082530	Fritillebinide C; 3-Deacetoxy 	C40H64O2	576.490631	NA	MeJP	NA	NA
+MJ082531	Cohibin C 	C37H68O4	576.51176	NA	MeJP	NA	NA
+MJ082532	Cohibin D 	C37H68O4	576.51176	NA	MeJP	NA	NA
+MJ082533	1-Hydroxy-1,2-dihydrophytoene; Me ether 	C41H68O	576.527016	NA	MeJP	NA	NA
+MJ082534	3-Methyl-3-buten-1-ol; Tetratriacontanoyl 	C39H76O2	576.584531	NA	MeJP	NA	NA
+MJ082535	13,17-Dimethylnonatriacontane 	C41H84	576.657302	NA	MeJP	NA	NA
+5447	cearidin 1,4	GLLDGLLGGLGLG	576.82845	MH2+	Inhouse_peptide	NA	peptide
+MJ082536	Antibiotic M 138 	C15H19N3O15S3	576.997829	NA	MeJP	NA	NA
+MJ082537	Cuprimyxin 	C26H18CuN4O8	577.042064	NA	MeJP	NA	NA
+C04896	5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-	C15H25N5O15P2	577.0822	NA	KEGG	NA	NA
+C04898	Oligosaccharide with terminal	C7H9O6	577.0822	NA	KEGG	NA	NA
+C04916	N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-	C15H25N5O15P2	577.0822	NA	KEGG	NA	NA
+C04917	N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-	C24H40N3O16R	577.0822	NA	KEGG	NA	NA
+HMDB12277	PhosphoribosylformiminoAICAR-phosphate	C15H25N5O15P2	577.082214	NA	HMDB2010	NA	NA
+HMDB12278	Phosphoribulosylformimino-AICAR-P	C15H25N5O15P2	577.082214	NA	HMDB2010	NA	NA
+MJ082538	5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide 	C15H25N5O15P2	577.082238	NA	MeJP	NA	NA
+MJ082539	N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide 	C15H25N5O15P2	577.082238	NA	MeJP	NA	NA
+MetaCyc03889	phosphoribulosylformimino-AICAR-P [5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide;N-(5'-phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide;phosphoribulosylformiminoAICAR-phosphate;phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribotide phosphate;phosphoribulosyl-formimino-5-aminoimidazole-4-carboxamide ribonucleotide phosphate;PRFAR;N-(5'phospho-D-1'-ribulosylformimino)-5-amino-1-(5-phosphoribosyl)-4-imidazolecarboxamide;]	C15H25N5O15P2	577.082238	NA	metacyc	NA	NA
+MetaCyc03890	phosphoribosylformiminoAICAR-phosphate [1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide;phosphoribosyl-formimino-aicar-P;phosphoribosylformiminoAICAR-P;5-(5-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole4-carboxamide;5-(5'-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide;N-5-phosphoribosyl-formimino-5-amino-imidazole-4-carboxamide ribonucleotide;N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide;]	C15H25N5O15P2	577.082238	NA	metacyc	NA	NA
+PJ006381	CCCCF 	C21H31N5O6S4	577.1157	NA	PeJP	NA	NA
+PJ006382	SCCCY 	C21H31N5O8S3	577.1335	NA	PeJP	NA	NA
+MJ082540	Aqua[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato]gadolinium 	C17H31GdN4O8	577.138289	NA	MeJP	NA	NA
+MJ082541	N-[6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1H-tetrazol-5-yl)-4-pyridinyl]-4-pyrimidinyl]-5-methyl-2-pyridinesulfonamide 	C25H23N9O6S	577.1492	NA	MeJP	NA	NA
+PJ006383	SCCEH 	C20H31N7O9S2	577.1625	NA	PeJP	NA	NA
+PJ006384	PCDDE 	C21H31N5O12S	577.169	NA	PeJP	NA	NA
+PJ006385	GCMMH 	C21H35N7O6S3	577.1811	NA	PeJP	NA	NA
+PJ006386	GDEEE 	C21H31N5O14	577.1868	NA	PeJP	NA	NA
+MJ082542	Oxyphenisatin; O,O-Bis(3-phenyl-2-propenoyl) 	C38H27NO5	577.188922	NA	MeJP	NA	NA
+PJ006387	CNNNN 	C19H31N9O10S	577.1915	NA	PeJP	NA	NA
+MJ082543	Ravidomycin; N,N-Di-de-Me, N-Ac 	C31H31NO10	577.194796	NA	MeJP	NA	NA
+MJ082544	Stilbazium(1+); Iodide 	C31H36IN3	577.195391	NA	MeJP	NA	NA
+PJ006388	GCDHF 	C24H31N7O8S	577.1955	NA	PeJP	NA	NA
+PJ006389	SNNDE 	C20H31N7O13	577.198	NA	PeJP	NA	NA
+PJ006390	STCMH 	C21H35N7O8S2	577.1989	NA	PeJP	NA	NA
+PJ006391	DEEW 	C25H31N5O11	577.202	NA	PeJP	NA	NA
+PJ006392	SPDEM 	C22H35N5O11S	577.2054	NA	PeJP	NA	NA
+PJ006393	PPCMM 	C23H39N5O6S3	577.2063	NA	PeJP	NA	NA
+PJ006394	GSNDW 	C24H31N7O10	577.2133	NA	PeJP	NA	NA
+PJ006395	GNQEM 	C21H35N7O10S	577.2166	NA	PeJP	NA	NA
+PJ006396	GGGGAEM 	C21H35N7O10S	577.2167	NA	PeJP	NA	NA
+PJ006397	PPCDF 	C26H35N5O8S	577.2207	NA	PeJP	NA	NA
+PJ006398	ATEEE 	C22H35N5O13	577.2232	NA	PeJP	NA	NA
+PJ006399	APEMM 	C23H39N5O8S2	577.224	NA	PeJP	NA	NA
+PJ006400	GCNER 	C20H35N9O9S	577.2279	NA	PeJP	NA	NA
+MJ082545	Barbisine 	C32H35NO9	577.231181	NA	MeJP	NA	NA
+MJ082546	Vakognavine; O15-De-Ac 	C32H35NO9	577.231181	NA	MeJP	NA	NA
+PJ006401	NQMW 	C25H35N7O7S	577.2319	NA	PeJP	NA	NA
+PJ006402	SSQQE 	C21H35N7O12	577.2344	NA	PeJP	NA	NA
+PJ006403	PCCQK 	C22H39N7O7S2	577.2353	NA	PeJP	NA	NA
+PJ006404	GNNHH 	C22H31N11O8	577.2357	NA	PeJP	NA	NA
+PJ006405	GGGGGHH 	C22H31N11O8	577.2358	NA	PeJP	NA	NA
+PJ006406	SPPDY 	C26H35N5O10	577.2384	NA	PeJP	NA	NA
+PJ006407	GLEEM 	C23H39N5O10S	577.2418	NA	PeJP	NA	NA
+PJ006408	CNRW 	C24H35N9O6S	577.2431	NA	PeJP	NA	NA
+PJ006409	SSNDR 	C20H35N9O11	577.2456	NA	PeJP	NA	NA
+PJ006410	GSTQW 	C25H35N7O9	577.2496	NA	PeJP	NA	NA
+PJ006411	GGGTTW 	C25H35N7O9	577.2497	NA	PeJP	NA	NA
+PJ006412	GNKEM 	C22H39N7O9S	577.253	NA	PeJP	NA	NA
+PJ006413	PEFW 	C30H35N5O7	577.2537	NA	PeJP	NA	NA
+PJ006414	LEMW 	C27H39N5O7S	577.257	NA	PeJP	NA	NA
+PJ006415	STLEE 	C23H39N5O12	577.2595	NA	PeJP	NA	NA
+PJ006416	SPLMM 	C24H43N5O7S2	577.2604	NA	PeJP	NA	NA
+PJ006417	GVEHH 	C24H35N9O8	577.2609	NA	PeJP	NA	NA
+PJ006418	GSQMR 	C21H39N9O8S	577.2642	NA	PeJP	NA	NA
+PJ006419	ASNMR 	C21H39N9O8S	577.2643	NA	PeJP	NA	NA
+PJ006420	QHFF 	C29H35N7O6	577.2649	NA	PeJP	NA	NA
+PJ006421	NKMW 	C26H39N7O6S	577.2683	NA	PeJP	NA	NA
+PJ006422	SSQKE 	C22H39N7O11	577.2708	NA	PeJP	NA	NA
+PJ006423	PCCKK 	C23H43N7O6S2	577.2716	NA	PeJP	NA	NA
+PJ006424	EHHR 	C23H35N11O7	577.2721	NA	PeJP	NA	NA
+PJ006425	GPLEY 	C27H39N5O9	577.2748	NA	PeJP	NA	NA
+PJ006426	GSCRR 	C20H39N11O7S	577.2755	NA	PeJP	NA	NA
+PJ006427	VHHW 	C28H35N9O5	577.2761	NA	PeJP	NA	NA
+PJ006428	SVLEM 	C24H43N5O9S	577.2782	NA	PeJP	NA	NA
+PJ006429	SSTQR 	C21H39N9O10	577.282	NA	PeJP	NA	NA
+PJ006430	GSTKW 	C26H39N7O8	577.286	NA	PeJP	NA	NA
+PJ006431	GDKKM 	C23H43N7O8S	577.2894	NA	PeJP	NA	NA
+PJ006432	PLYW 	C31H39N5O6	577.29	NA	PeJP	NA	NA
+PJ006433	APPFF 	C31H39N5O6	577.2901	NA	PeJP	NA	NA
+MJ082547	Carolisterol A 	C27H47NO10S	577.292067	NA	MeJP	NA	NA
+PJ006434	APLMF 	C28H43N5O6S	577.2934	NA	PeJP	NA	NA
+PJ006435	ALLMM 	C25H47N5O6S2	577.2968	NA	PeJP	NA	NA
+PJ006436	QQFR 	C25H39N9O7	577.2973	NA	PeJP	NA	NA
+3332	human beta-casein fr, 57-61	SLVYP	577.299	celiac toxic	Inhouse_peptide	NA	peptide
+3787	NA	YPVSL	577.299	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006437	GSKMR 	C22H43N9O7S	577.3006	NA	PeJP	NA	NA
+PJ006438	KHFF 	C30H39N7O5	577.3013	NA	PeJP	NA	NA
+PJ006439	SSKKE 	C23H43N7O10	577.3072	NA	PeJP	NA	NA
+PJ006440	SPVLY 	C28H43N5O8	577.3112	NA	PeJP	NA	NA
+PJ006441	TTLLM 	C25H47N5O8S	577.3145	NA	PeJP	NA	NA
+PJ006442	SSTKR 	C22H43N9O9	577.3184	NA	PeJP	NA	NA
+PJ006443	GVQKF 	C27H43N7O7	577.3224	NA	PeJP	NA	NA
+MJ082548	Dictyocarpinine; 14-O-(R)-2-Methylbutanoyl, 6-Ac 	C31H47NO9	577.325082	NA	MeJP	NA	NA
+MJ082549	Piericidin; Piericidin A1, 10'-O-?-D-Glucopyranoside 	C31H47NO9	577.325082	NA	MeJP	NA	NA
+MJ082550	Piericidin; Piericidin A1, 4-O-D-Glucopyranoside 	C31H47NO9	577.325082	NA	MeJP	NA	NA
+PJ006444	ATKKM 	C24H47N7O7S	577.3258	NA	PeJP	NA	NA
+PJ006445	LLFW 	C32H43N5O5	577.3264	NA	PeJP	NA	NA
+MJ082551	Dihydroergocryptine 	C32H43N5O5	577.326419	NA	MeJP	NA	NA
+PJ006446	QKFR 	C26H43N9O6	577.3337	NA	PeJP	NA	NA
+EUR728	Lyso PC 18:3 [M-H+acetate]-	C26H48NO7P	577.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR728	Lyso PC 18:3 [M-H+acetate]-	C26H48NO7P	577.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR728	Lyso PC 18:3 [M-H+acetate]-	C26H48NO7P	577.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR728	Lyso PC 18:3 [M-H+acetate]-	C26H48NO7P	577.337942	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006447	TTTKK 	C24H47N7O9	577.3435	NA	PeJP	NA	NA
+MJ082552	Destruxin A; Destruxin A 	C29H47N5O7	577.347548	NA	MeJP	NA	NA
+PJ006448	GLLLY 	C29H47N5O7	577.3476	NA	PeJP	NA	NA
+PJ006449	GVKKF 	C28H47N7O6	577.3588	NA	PeJP	NA	NA
+MJ082553	Coumingaine 	C32H51NO8	577.361467	NA	MeJP	NA	NA
+MJ082554	Zygadenine; O3-(R)-2-Methylbutanoyl 	C32H51NO8	577.361467	NA	MeJP	NA	NA
+PJ006450	KKFR 	C27H47N9O5	577.37	NA	PeJP	NA	NA
+MJ082555	16,28-Secosolanid-22(28)-ene-3,6-diol, O3-?-D-Glucopyranoside 	C33H55NO7	577.397853	NA	MeJP	NA	NA
+MJ082556	16,28-Secosolanid-5-ene-3,16-diol, 3-O-?-D-Glucopyranoside 	C33H55NO7	577.397853	NA	MeJP	NA	NA
+MJ082557	16,28-Secosolanid-5-ene-3,16-diol, 3-O-?-D-Galactopyranoside 	C33H55NO7	577.397853	NA	MeJP	NA	NA
+MJ082558	3,6-Cevanediol, 3-O-?-D-Glucopyranoside 	C33H55NO7	577.397853	NA	MeJP	NA	NA
+MJ082559	Spirosolan-3-ol, O-?-D-Glucopyranoside 	C33H55NO7	577.397853	NA	MeJP	NA	NA
+MJ082560	Vertaline B; 16-Deoxy, 3-O-?-D-glucopyranoside 	C33H55NO7	577.397853	NA	MeJP	NA	NA
+EUR774	Lyso PC 22:1 monoisotopic mass 	C30H60NO7P	577.410742	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR774	Lyso PC 22:1 monoisotopic mass 	C30H60NO7P	577.410742	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR774	Lyso PC 22:1 monoisotopic mass 	C30H60NO7P	577.410742	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR774	Lyso PC 22:1 monoisotopic mass 	C30H60NO7P	577.410742	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10399	LysoPC(22:1(13Z))	C30H60NO7P	577.410767	NA	HMDB2010	NA	NA
+MJ082561	35-Amino-30,31,32,33,34-bacteriohopanepentol 	C35H63NO5	577.470624	NA	MeJP	NA	NA
+MJ082562	2-Amino-4,8-octadecadiene-1,3-diol, N-Nonadecanoyl 	C37H71NO3	577.543395	NA	MeJP	NA	NA
+MJ082563	3,3',5,5'-Tetrabromo[1,1'-biphenyl]-2,2'-diol; Dihydrogen phosphate 	C12H7Br4O5P	577.67646	NA	MeJP	NA	NA
+3252	beta-casokinin-10	YQQPVLGPVR	577.8125	MH2+	Inhouse_peptide	NA	peptide
+3369	b-casokinin-10 (193-202)	YQQPVLGPVR	577.8125	MH2+	Inhouse_peptide	NA	peptide
+MJ082564	Purealidin D 	C22H25Br2N6O3(+)	578.027663	NA	MeJP	NA	NA
+C03034	dTDP-D-galacturonate	C16H24N2O17P2	578.055	NA	KEGG	NA	NA
+C06017	dTDP-D-glucuronate	C16H24N2O17P2	578.055	NA	KEGG	NA	NA
+MJ082565	dTDP-D-galacturonate 	C16H24N2O17P2	578.05502	NA	MeJP	NA	NA
+MetaCyc03891	dTDP-D-galacturonate []	C16H24N2O17P2	578.05502	NA	metacyc	NA	NA
+MJ082566	Vinaxanthone; 2',3'-Dihydro 	C28H18O14	578.069655	NA	MeJP	NA	NA
+MJ082567	Xanthofulvin 	C28H18O14	578.069655	NA	MeJP	NA	NA
+MJ082568	2',4',5,5',7-Pentahydroxyisoflavanone, 4',5'-Methylene, 2'-Me ether, 7-O-(6-O-malonyl-?-D-glucopyranoside) 	C26H26O15	578.12717	NA	MeJP	NA	NA
+MJ082569	4',5,7-Trihydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1??)-?-D-glucuronopyranoside] 	C26H26O15	578.12717	NA	MeJP	NA	NA
+MetaCyc03892	cicerin-7-O-glucoside-6''-malonate []	C26H26O15	578.12717	NA	metacyc	NA	NA
+JH243	Oleuropein [M+K]+	NA	578.1359	14.15	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH243	Oleuropein [M+K]+	NA	578.1359	14.15	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH243	Oleuropein [M+K]+	NA	578.1359	14.15	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH243	Oleuropein [M+K]+	NA	578.1359	14.15	Inhousejuil11	NA	NA
+PJ006451	CCCNH 	C19H30N8O7S3	578.14	NA	PeJP	NA	NA
+C10221	Epicatechin-(4beta->8)-ent-epicatechin	C30H26O12	578.1424	NA	KEGG	NA	NA
+C10238	Procyanidin B4	C30H26O12	578.1424	NA	KEGG	NA	NA
+C17639	Procyanidin B2	C30H26O12	578.1424	NA	KEGG	NA	NA
+C17640	Procyanidin B5	C30H26O12	578.1424	NA	KEGG	NA	NA
+FL3FAACS0034	Vitexin 2''-O-p-coumarate	C30H26O12	578.14242	59282-55-2	knapsack	NA	NA
+FL3FAAGN0001	Apigenin 7-glucoside-4'-p-coumarate	C30H26O12	578.14242	61237-20-5	knapsack	NA	NA
+FL3FAAGS0034	Apigenin 7-(4''-Z-p-coumarylglucoside)	C30H26O12	578.14242	-	knapsack	NA	NA
+FL3FAAGS0035	Apigenin 7-(4''-E-p-coumarylglucoside)	C30H26O12	578.14242	105815-91-6	knapsack	NA	NA
+FL3FAAGS0036	Apigenin 7-(6''-p-coumarylglucoside)	C30H26O12	578.14242	105815-90-5	knapsack	NA	NA
+FL3FAAGS0064	Apigenin 7-(2''-E-p-coumaroylglucoside;Echitin (glycoside);(E)-5-Hydroxy-2-(4-hydroxyphenyl)-7-[[2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C30H26O12	578.14242	177535-49-8	knapsack	NA	NA
+FL3FAAGS0065	Apigenin 7-(3''-p-coumaroylglucoside)	C30H26O12	578.14242	-	knapsack	NA	NA
+FL3FAAGS0066	Apigenin 7-(6''-E-p-coumaroylgalactoside);5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one	C30H26O12	578.14242	480453-57-4	knapsack	NA	NA
+FL3FACGS0061	Luteolin 7-(6''-E-cinnamylglucoside)	C30H26O12	578.14242	111150-40-4	knapsack	NA	NA
+FL5FAAGL0066	Kaempferol 3-(6''-(Z)-cinnamylglucoside)	C30H26O12	578.14242	134779-23-0	knapsack	NA	NA
+FL5FAAGS0050	Kaempferol 3-(2-(E)-p-coumarylrhamnoside);3-[[6-Deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C30H26O12	578.14242	151455-10-6	knapsack	NA	NA
+FL5FAAGS0051	Kaempferol 3-(4''-p-coumarylrhamnoside)	C30H26O12	578.14242	166321-98-8	knapsack	NA	NA
+FL5FAAGS0103	Kaempferol 3-(2''-(Z)-p-coumaroylrhamnoside); (Z)-3-[[6-Deoxy-2-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C30H26O12	578.14242	151455-11-7	knapsack	NA	NA
+FLIAAAGS0011	Genistein 7-O-(2''-p-coumaroylglucoside)	C30H26O12	578.14242	106915-84-8	knapsack	NA	NA
+MJ082570	3',4',5,7-Tetrahydroxyflavone; 7-O-[E-Cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082571	3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 5'''-Deoxy 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082572	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082573	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082574	3,3',4',5,7-Pentahydroxyflavan(6'?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082575	3,3',4',7,8-Pentahydroxyflavan(4?6)-3,3',4,4',7,8-hexahydroxyflavan, 4'-Deoxy 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082576	3,3',4',7,8-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082577	3,3',4',7,8-Pentahydroxyflavan(4?O?4)-3,4',7,8-tetrahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082578	3,3',4',7,8-Pentahydroxyflavan(5?6')-3,3',4',7,8-pentahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082579	3,3',4',7,8-Pentahydroxyflavan(5?8)-3,3',4',5,7-pentahydroxyflavan 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082580	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5''-Hydroxy 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082581	4',5,7-Trihydroxyisoflavone; 7-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranoside] 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082582	Afzelin; 2''-O-(4-Hydroxycinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082583	Afzelin; 4''-O-(4-Hydroxycinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082584	Astragalin; 6''-O-(Z-Cinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082585	Cosmosiin; 2''-O-(4-Hydroxy-E-cinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082586	Cosmosiin; 3''-O-(4-Hydroxycinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082587	Cosmosiin; 4''-O-(4-Hydroxy-E-cinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082588	Cosmosiin; 4''-O-(4-Hydroxy-Z-cinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082589	Cosmosiin; 4'-O-(4-Hydroxycinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082590	Cosmosiin; 6''-O-(4-Hydroxycinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082591	Flavomannin, 5?,5'?-Dihydroxy 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082592	Vitexin; 2''-O-(4-Hydroxycinnamoyl) 	C30H26O12	578.142426	NA	MeJP	NA	NA
+MJ082593	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(Cinnamoyl-?-D-glucopyranoside) 	C30H27O12(+)	578.142426	NA	MeJP	NA	NA
+MetaCyc03893	2,3-trans-proanthocyanidin []	C30H26O12	578.142426	NA	metacyc	NA	NA
+MetaCyc03894	2,3-cis-proanthocyanidin [proanthocyanidin;]	C30H26O12	578.142426	NA	metacyc	NA	NA
+MJ082594	Beccapoline; 8-Demethoxy 	C36H22N2O6	578.147786	NA	MeJP	NA	NA
+MJ082595	Tantazole B 	C25H34N6O2S4	578.162607	NA	MeJP	NA	NA
+FL1AAAGS0002	6,4'-Dihydroxyaurone 4-O-rutinoside	C27H30O14	578.16355	828940-16-5	knapsack	NA	NA
+FL1AAAGS0004	6,4'-Dihydroxyaurone-4-O-neohesperidoside	C27H30O14	578.16355	571194-67-7	knapsack	NA	NA
+FL3F1CGS0003	7,3',4'-Trihydroxyflavone 7-rutinoside	C27H30O14	578.16355	27576-42-7	knapsack	NA	NA
+FL3F2CGS0001	7,3',4'-Trihydroxy-6-methoxyflavone 7-rhamnoside-3'-xyloside	C27H30O14	578.16355	147526-77-0	knapsack	NA	NA
+FL3FA9GS0006	Chrysin 7-gentiobioside	C27H30O14	578.16355	88640-89-5	knapsack	NA	NA
+FL3FAACS0020	Vitexin 2''-O-rhamnoside	C27H30O14	578.16355	64820-99-1	knapsack	NA	NA
+FL3FAACS0021	Abietin;Vitexin 6''-O-rhamnoside	C27H30O14	578.16355	54302-43-1	knapsack	NA	NA
+FL3FAACS0023	Isovitexin 2''-O-rhamnoside	C27H30O14	578.16355	72036-50-1	knapsack	NA	NA
+FL3FAACS0026	Violanthin	C27H30O14	578.16355	40581-17-7	knapsack	NA	NA
+FL3FAACS0031	Isoviolanthin	C27H30O14	578.16355	40788-84-9	knapsack	NA	NA
+FL3FAACS0057	Vitexin 4''-O-rhamnoside	C27H30O14	578.16355	13263-81-5	knapsack	NA	NA
+FL3FAACS0070	Violarvensin;6-C-beta-D-Glucopyranosyl-8-C-beta-D-6-deoxygulopyranosylapigenin	C27H30O14	578.16355	201546-08-9	knapsack	NA	NA
+FL3FAACS0073	Isovitexin 6''-O-rhamnoside;Dulcinoside;6-[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O14	578.16355	869669-58-9	knapsack	NA	NA
+FL3FAADS0006	Isovitexin 7-O-rhamnoside	C27H30O14	578.16355	90706-62-0	knapsack	NA	NA
+FL3FAADS0008	Isofurcatain 7-O-glucoside	C27H30O14	578.16355	83463-97-2	knapsack	NA	NA
+FL3FAADS0038	Isovitexin 4'-O-rhamnopyranoside;Isovitexin 4'-rhamnoside	C27H30O14	578.16355	63848-10-2	knapsack	NA	NA
+FL3FAAGS0020	Apigenin 7-rutinoside	C27H30O14	578.16355	552-57-8	knapsack	NA	NA
+FL3FAAGS0021	Apigenin 7-neohesperidoside	C27H30O14	578.16355	17306-46-6	knapsack	NA	NA
+FL3FABCS0009	Isocytisoside 3''-O-beta-D-xylopyranoside	C27H30O14	578.16355	-	knapsack	NA	NA
+FL3FABCS0010	Isocytisoside 6''-O-beta-D-apiofuranoside	C27H30O14	578.16355	360562-71-6	knapsack	NA	NA
+FL3FABGS0017	Acacetin 7-glucosyl-(1->4)-xyloside;Apigenin 4'-methyl ether 7-glucosyl-(1->4)-xyloside;7-[(4-O-beta-D-Glucopyranosyl-alpha-D-xylopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C27H30O14	578.16355	201738-97-8	knapsack	NA	NA
+FL3FABGS0018	Acacetin 7-apiosyl (1->6)-glucopyranoside;Apigenin 4'-methyl ether 7-apiosyl (1->6)-glucopyranoside;5-Hydroxy-2-(4-methoxyphenyl)-7-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C27H30O14	578.16355	239106-94-6	knapsack	NA	NA
+FL3FACCS0039	6,8-Di-C-rhamnopyranosylluteolin	C27H30O14	578.16355	145204-84-8	knapsack	NA	NA
+FL3FACCS0052	2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-luteolin	C27H30O14	578.16355	-	knapsack	NA	NA
+FL3FACCS0053	2''-O-alpha-L-Rhamnosyl-6-C-quinovopyranosyl-luteolin	C27H30O14	578.16355	-	knapsack	NA	NA
+FL3FACDS0021	8-C-Rhamnopyranosylluteolin 7-O-rhamnoside	C27H30O14	578.16355	-	knapsack	NA	NA
+FL3FCACS0009	Swertisin 2''-O-arabinoside	C27H30O14	578.16355	117715-06-7	knapsack	NA	NA
+FL3FCACS0010	Isoswertisin 2''-O-xyloside	C27H30O14	578.16355	89613-14-9	knapsack	NA	NA
+FL3FCACS0011	6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin	C27H30O14	578.16355	101843-08-7	knapsack	NA	NA
+FL3FCACS0012	Isomolludistin 2''-O-glucoside	C27H30O14	578.16355	70521-83-4	knapsack	NA	NA
+FL3FCACS0013	Molludistin 2''-O-glucoside	C27H30O14	578.16355	70521-82-3	knapsack	NA	NA
+FL3FCACS0015	Swertisin 2''-O-xyloside	C27H30O14	578.16355	155474-80-9	knapsack	NA	NA
+FL3FCACS0029	Precatorin III;6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C27H30O14	578.16355	211568-81-9	knapsack	NA	NA
+FL3FCACS0030	Isoswertisin 2''-O-beta-arabinoside	C27H30O14	578.16355	157530-33-1	knapsack	NA	NA
+FL3FCAGS0005	Genkwanin 4'-alpha-L-arabinopyranosyl-(1->6)-galactoside;Apigenin 7-methyl ether 4'-alpha-L-arabinopyranosyl-(1->6)-galactoside;2-[4-[(6-O-alpha-L-Arabinopyranosyl-beta-D-galactopyranosyl)oxy]phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C27H30O14	578.16355	426821-22-9	knapsack	NA	NA
+FL3FEAGS0013	Scutellarein 7,4'-dirhamnoside	C27H30O14	578.16355	35128-73-5	knapsack	NA	NA
+FL3FEAGS0042	Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside	C27H30O14	578.16355	-	knapsack	NA	NA
+FL5FA9GL0002	Galanginoside	C27H30O14	578.16355	16268-50-1	knapsack	NA	NA
+FL5FA9GS0003	Galangin 3-galactosyl-(1->4)-rhamnoside	C27H30O14	578.16355	73030-72-5	knapsack	NA	NA
+FL5FAAGS0029	Kaempferitrin;Kaempferol 3,7-dirhamnoside;Lespedin	C27H30O14	578.16355	482-38-2	knapsack	NA	NA
+FL5FAAGS0038	Kaempferol 7,4'-dirhamnoside	C27H30O14	578.16355	99816-51-0	knapsack	NA	NA
+FL5FAAGS0072	Kaempferol 3-rhamnoside-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-1-benzopyran-4-one	C27H30O14	578.16355	221455-13-6	knapsack	NA	NA
+FL5FABGS0005	Kaempferide 3-rhamnoside-7-xyloside	C27H30O14	578.16355	158753-18-5	knapsack	NA	NA
+FL5FECGS0058	Patuletin 7-[6''-(2-methylbutyryl)-glucoside];Quercetagetin 6-methyl ether 7-[6''-(2-methylbutyryl)-glucoside];2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C27H30O14	578.16355	254886-93-6	knapsack	NA	NA
+FLIA1ADS0001	Puerarin 4'-O-glucoside	C27H30O14	578.16355	117047-08-2	knapsack	NA	NA
+FLIA1AGS0005	Daidzein 7,4'-di-O-glucoside	C27H30O14	578.16355	53681-67-7	knapsack	NA	NA
+FLIAAAGS0005	Genistein 7-O-rutinoside;Sphaerobioside	C27H30O14	578.16355	14988-20-6	knapsack	NA	NA
+FLIAAAGS0006	Genistein 4'-O-neohesperidoside;Sophorabioside	C27H30O14	578.16355	2945-88-2	knapsack	NA	NA
+FLIAABGS0004	Biochanin A 7-O-xylosyl-(1->6)-glucoside;Kakkanin	C27H30O14	578.16355	63770-91-2	knapsack	NA	NA
+FLIAABGS0005	Biochanin A 7-O-apiosyl-(1->6)-glucoside;Lanceolarin	C27H30O14	578.16355	15914-68-8	knapsack	NA	NA
+MJ082596	1,2,3-Trihydroxyanthraquinone; 1-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082597	1,2,5-Trihydroxy-6-methylanthraquinone; 1-Me ether, 2-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082598	1,2,5-Trihydroxy-6-methylanthraquinone; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082599	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-?-Rhamnosyl-(1?2)-?-glucoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082600	1,3,8-Trihydroxy-2-methylanthraquinone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082601	1,3,8-Trihydroxy-2-methylanthraquinone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082602	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-D-Glucopyranoside, 3-O-?-L-rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082603	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082604	1,3,8-Trihydroxy-6-methylanthraquinone; 8-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082605	1,3-Dihydroxy-2-hydroxymethylanthraquinone; 1-Me ether, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082606	1,8-Dihydroxy-3-methylanthraquinone; 8-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082607	3',4',5',7-Tetrahydroxyisoflavone; Di-O-?-L-rhamnopyranoside(?) 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082608	3',4',5,7-Tetrahydroxy-6,8-di-?-L-rhamnopyranosylflavone 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082609	3',4',5,7-Tetrahydroxy-8-rhamnosylflavone; ?-L-Pyranose-form, 7-O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082610	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082611	3',4',6,7-Tetrahydroxyflavone; 6-Me ether, 3'-O-?-D-xylopyranoside, 7-O-?-L-rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082612	3',4',7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082613	3',4',7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082614	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-[2-Methylbutanoyl-(?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082615	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 7-O-[3-Methylbutanoyl-(?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082616	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082617	3,4',5,7-Tetrahydroxyflavone; Di-O-?-L-rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082618	3,4',7-Trihydroxyflavone; 7-O-Rutinoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082619	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-xylopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082620	3,5,7-Trihydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082621	3,5,7-Trihydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082622	4',5,6,7-Tetrahydroxyflavone; 4',7-Di-O-?-L-rhamnofuranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082623	4',5,7-Trihydroxyflavone; 5-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082624	4',5,7-Trihydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082625	4',5,7-Trihydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082626	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082627	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082628	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082629	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082630	4',5,7-Trihydroxyisoflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082631	4',5,7-Trihydroxyisoflavone; 5-Me ether, 7-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082632	4',5,7-Trihydroxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082633	4',5-Dihydroxy-7-methoxyflavone; 4'-O-[?-D-Glucopyranosyl-(1?3)-?-D-xylopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082634	4',5-Dihydroxy-7-methoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082635	4',5-Dihydroxy-7-methoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082636	4',5-Dihydroxy-7-methoxyisoflavone; 4'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082637	4',6,7-Trihydroxyisoflavone; 6-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082638	4',7-Dihydroxy-5-methoxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082639	4',7-Dihydroxyisoflavone; 4',7-Di-O-?-D-glucopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082640	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082641	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082642	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082643	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082644	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-[D-Apio-?-D-furanosyl-(1?6)-?-D-glucopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082645	5,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082646	5,7-Dihydroxyflavone; 7-O-Gentiobioside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082647	6-O-?-D-Apiofuranosyl-D-glucose; ?-Pyranose-form, 1-O-Benzoyl, 5'-O-(3,4-dihydroxycinnamoyl)(E-) 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082648	Afzelin; 3''-O-?-L-Rhamnopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082649	Afzelin; 7-O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082650	Cosmosiin; 6''-O-?-L-Rhamnopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082651	Isocytisoside; 3''-O-?-D-Apiofuranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082652	Isocytisoside; 6''-O-?-D-Xylopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082653	Isofurcatain; 7-O-?-D-Glucopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082654	Isomollupentin; 7-Me ether, 2''-O-?-D-glucopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082655	Isoviolanthin 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082656	Isovitexin; 2''-O-?-D-Apiofuranosyl, 7-Me ether 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082657	Isovitexin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082658	Isovitexin; 7-O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082659	Isovitexin; O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082660	Maysin; 4''?-Alcohol 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082661	Maysin; 4''?-Alcohol 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082662	Mollupentin; 7-Me ether, 2''-O-?-D-glucopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082663	Nivyaside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082664	Puerarin; 4'-O-?-D-Glucopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082665	Swertisin; 2''-O-?-D-Xylopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082666	Swertisin; 2''-O-Arabinosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082667	Violanthin 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082668	Vitexin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082669	Vitexin; 4'-O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082670	Vitexin; 6''-O-?-L-Rhamnopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082671	Vitexin; 7-Me ether, 2''-O-?-arabinopyranosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082672	Vitexin; 7-Me ether, 2''-O-D-xylosyl 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082673	Vitexin; O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082674	?-Rhamnoisorobin; 4'-O-?-L-Rhamnopyranoside 	C27H30O14	578.163555	NA	MeJP	NA	NA
+MJ082675	3',4',5,7-Tetrahydroxyflavylium(1+); 5-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082676	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082677	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082678	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082679	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082680	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082681	4',5,7-Trihydroxyflavylium(1+); 5,7-Di-O-?-D-glucopyranoside 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082682	4',5,7-Trihydroxyflavylium(1+); 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MJ082683	4',5,7-Trihydroxyflavylium(1+); 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H31O14(+)	578.163555	NA	MeJP	NA	NA
+MetaCyc03895	vitexin 2-O-&beta;-L-rhamnoside''$$$''$$$'' []	C27H30O14	578.163556	NA	metacyc	NA	NA
+MetaCyc03896	kaempferol-3-rhamnoside-7-rhamnoside [kaempferol-3-O-rhamnopyranoside-7-O-rhamnopyranoside;]	C27H30O14	578.163556	NA	metacyc	NA	NA
+HMDB05799	Scolymoside	C27H30O14	578.16357	http://www.hmdb.ca/metabolites/HMDB05799	HMDB	NA	NA
+HMDB05799	Scolymoside	C27H30O14	578.16357	HMDB05799	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05799	Scolymoside	C27H30O14	578.163574	NA	HMDB2010	NA	NA
+C10196	Violanthin	C27H30O14	578.1636	NA	KEGG	NA	NA
+C12627	Apigenin 7-O-neohesperidoside	C27H30O14	578.1636	NA	KEGG	NA	NA
+C12628	Vitexin 2''-O-beta-L-rhamnoside	C27H30O14	578.1636	NA	KEGG	NA	NA
+C16802	Glucofrangulin A	C27H30O14	578.1636	NA	KEGG	NA	NA
+C16981	Kaempferitrin	C27H30O14	578.1636	NA	KEGG	NA	NA
+PJ006452	GPPCCC 	C21H34N6O7S3	578.1651	NA	PeJP	NA	NA
+MJ082684	7(18),11(19)-Havannadichlorohydrin 	C26H36Cl2O10	578.168552	NA	MeJP	NA	NA
+PJ006453	CNNND 	C19H30N8O11S	578.1755	NA	PeJP	NA	NA
+MJ082685	Deacylkadsulignan C; 7'-Benzoyl, 7-Ac 	C31H30O11	578.178811	NA	MeJP	NA	NA
+MJ082686	Haedoxan B 	C31H30O11	578.178811	NA	MeJP	NA	NA
+PJ006454	SNDDE 	C20H30N6O14	578.182	NA	PeJP	NA	NA
+PJ006455	PCNDM 	C21H34N6O9S2	578.1829	NA	PeJP	NA	NA
+MJ082687	Arborescosidic acid; 10-Ac, ?-D-glucopyranosyl ester 	C24H34O16	578.184685	NA	MeJP	NA	NA
+MJ082688	D-erythro-D-galacto-Octitol; Octa-Ac 	C24H34O16	578.184685	NA	MeJP	NA	NA
+PJ006456	CMYY 	C26H34N4O7S2	578.1869	NA	PeJP	NA	NA
+MJ082689	Renieramycin H 	C30H30N2O10	578.190045	NA	MeJP	NA	NA
+PJ006457	GSDDW 	C24H30N6O11	578.1973	NA	PeJP	NA	NA
+PJ006458	APCCW 	C25H34N6O6S2	578.1982	NA	PeJP	NA	NA
+C10876	Podorhizol beta-D-glucoside	C28H34O13	578.1999	NA	KEGG	NA	NA
+MJ082690	2',5,6',7,8-Pentahydroxyflavanone, 6',7,8-Tri-Me ether, 2'-O-?-D-glucuronopyranoside, butyl ester 	C28H34O13	578.199941	NA	MeJP	NA	NA
+MJ082691	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O13	578.199941	NA	MeJP	NA	NA
+MJ082692	8-Hydroxypinoresinol; 8-Ac, 4-O-?-D-glucopyranoside 	C28H34O13	578.199941	NA	MeJP	NA	NA
+MJ082693	Alloimperatorin; O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O13	578.199941	NA	MeJP	NA	NA
+MJ082694	Deoxypodophyllic acid; ?-D-Glucopyranosyl ester 	C28H34O13	578.199941	NA	MeJP	NA	NA
+MJ082695	Podorhizol, 7-O-?-D-Glucopyranoside 	C28H34O13	578.199941	NA	MeJP	NA	NA
+PJ006459	GNEEM 	C21H34N6O11S	578.2007	NA	PeJP	NA	NA
+MJ082696	Saframycin A; 14-Oxo, ring E hydroquinone 	C29H30N4O9	578.201278	NA	MeJP	NA	NA
+MJ082697	Saframycin A; 14?-Hydroxy 	C29H30N4O9	578.201278	NA	MeJP	NA	NA
+MJ082698	Kohatine; 1',2'-Didehydro, 2?-N-oxide 	C34H30N2O7	578.205301	NA	MeJP	NA	NA
+PJ006460	GCDER 	C20H34N8O10S	578.2119	NA	PeJP	NA	NA
+MJ082699	Antibiotic ES 242-4 	C32H34O10	578.215197	NA	MeJP	NA	NA
+MJ082700	Cardinalin 1; 4'a,10'a-Didehydro 	C32H34O10	578.215197	NA	MeJP	NA	NA
+PJ006461	NEMW 	C25H34N6O8S	578.2159	NA	PeJP	NA	NA
+PJ006462	SSQEE 	C21H34N6O13	578.2184	NA	PeJP	NA	NA
+PJ006463	SPNMM 	C22H38N6O8S2	578.2193	NA	PeJP	NA	NA
+PJ006464	GNDHH 	C22H30N10O9	578.2198	NA	PeJP	NA	NA
+PJ006465	CFFY 	C30H34N4O6S	578.2199	NA	PeJP	NA	NA
+MJ082701	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H38O15	578.22107	NA	MeJP	NA	NA
+MJ082702	2-Phenylethanol; O-[?-D-Glucopyranosyl-(1?2)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C25H38O15	578.22107	NA	MeJP	NA	NA
+PJ006466	CDRW 	C24H34N8O7S	578.2271	NA	PeJP	NA	NA
+2751	activating kinases and phosphatases peptide	EPFYENDPF	578.2284	MH2+	Inhouse_peptide	NA	peptide
+PJ006467	SSDDR 	C20H34N8O12	578.2296	NA	PeJP	NA	NA
+PJ006468	GGGGGSST 	C20H34N8O12	578.2297	NA	PeJP	NA	NA
+PJ006469	PTCCR 	C21H38N8O7S2	578.2305	NA	PeJP	NA	NA
+PJ006470	GMWW 	C29H34N6O5S	578.2312	NA	PeJP	NA	NA
+MJ082703	Triamcinolone; 16,17-Acetone ketal, 21-O-(2-benzofuran-2-carboxylate) 	C33H35FO8	578.231596	NA	MeJP	NA	NA
+PJ006471	GSTEW 	C25H34N6O10	578.2337	NA	PeJP	NA	NA
+MJ082704	1,2,3,6,8,14-Hexahydroxytricyclo[4.2.110,30.11,4]meliac-7-oic acid, Me ester, 1-Ac 	C29H38O12	578.236326	NA	MeJP	NA	NA
+MJ082705	15,16-Epoxy-6,18-dihydroxy-19-nor-4,13(16),14-clerodatrien-20,12-olide, 6-O-(2-Acetyl-?-D-glucopyranoside), 18-Ac 	C29H38O12	578.236326	NA	MeJP	NA	NA
+MJ082706	8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 4-Propanoyl, 2,9,12-tri-Ac 	C29H38O12	578.236326	NA	MeJP	NA	NA
+MJ082707	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-propanoyl, 4,9,14-tri-Ac 	C29H38O12	578.236326	NA	MeJP	NA	NA
+MJ082708	Hydrangenoside E; 13-Ketone 	C29H38O12	578.236326	NA	MeJP	NA	NA
+MJ082709	Hydrangenoside G 	C29H38O12	578.236326	NA	MeJP	NA	NA
+PJ006472	GDKEM 	C22H38N6O10S	578.237	NA	PeJP	NA	NA
+PJ006473	AYYY 	C30H34N4O8	578.2377	NA	PeJP	NA	NA
+MJ082710	Apateline; Me ether, 5'-hydroxy 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082711	Cepharanthine; O12,N2-Di-de-Me 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082712	Cocsoline, Me ether, N2'-oxide (?-) 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082713	Cocsoline, N-Me, N2-oxide 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082714	Cocsulinine 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082715	Gilletine 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082716	Kohatine; O12'-Me 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082717	Pachygonamine; N2-Me 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082718	Pendine 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082719	Pendulinine 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+MJ082720	Yanangine; N2'-De-Me 	C35H34N2O6	578.241686	NA	MeJP	NA	NA
+PJ006474	GNNQF 	C24H34N8O9	578.2449	NA	PeJP	NA	NA
+MJ082721	Elymoclavine; O-[?-D-Fructofuranosyl-(2?1)-?-D-fructofuranoside] 	C28H38N2O11	578.24756	NA	MeJP	NA	NA
+PJ006475	GSEMR 	C21H38N8O9S	578.2483	NA	PeJP	NA	NA
+PJ006476	STWW 	C29H34N6O7	578.2489	NA	PeJP	NA	NA
+MJ082722	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 6,9-Dibenzoyl, 1,2-di-Ac 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082723	1,4,6,9,14-Pentahydroxydihydro-?-agarofuran, 14-Cinnamoyl, 9-benzoyl, 1-Ac 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082724	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,8-di-Ac 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082725	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,6-di-Ac 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082726	Gaudichaudione A; ?18,22Z-Isomer, 16-hydroxy, 24-carboxylic acid 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082727	Gaudichaudione D; 22Z-Isomer, 24-carboxylic acid 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082728	Lateriflorone 	C33H38O9	578.251582	NA	MeJP	NA	NA
+MJ082729	Shizukaol B; 4-Deoxy, 13,15-dideacyl, 15-Ac 	C33H38O9	578.251582	NA	MeJP	NA	NA
+PJ006477	DKMW 	C26H38N6O7S	578.2523	NA	PeJP	NA	NA
+C18063	C-132-Carboxypyropheophorbide a	C34H34N4O5	578.2529	NA	KEGG	NA	NA
+PJ006478	SSKEE 	C22H38N6O12	578.2548	NA	PeJP	NA	NA
+MJ082730	Withaperuvin H 	C30H42O9S	578.254953	NA	MeJP	NA	NA
+PJ006479	GLQMM 	C23H42N6O7S2	578.2557	NA	PeJP	NA	NA
+PJ006480	GTQHH 	C23H34N10O8	578.2561	NA	PeJP	NA	NA
+MJ082731	4,9-Epoxycholestane-3,21-diol, Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082732	Cholest-24-ene-2,3,21-triol, 3,21-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082733	Cholest-5-ene-1,3,21-triol, 3,21-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082734	Cholest-5-ene-2,3,21-triol, 2,21-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082735	Cholest-5-ene-2,3,21-triol, 3,21-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082736	Cholest-5-ene-3,11,21-triol, 3,21-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082737	Cholest-5-ene-3,4,21-triol, 3,21-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+MJ082738	Cholest-9(11)-ene-3,6,23-triol, 3,6-Disulfate 	C27H46O9S2	578.258324	NA	MeJP	NA	NA
+C06541	Deserpidine	C32H38N2O8	578.2628	NA	KEGG	NA	NA
+MJ082739	Deserpidine 	C32H38N2O8	578.262816	NA	MeJP	NA	NA
+MJ082740	Mefeserpine 	C32H38N2O8	578.262816	NA	MeJP	NA	NA
+MJ082741	Reserpic acid; O-(3,4-Dimethoxybenzoyl), Me ester 	C32H38N2O8	578.262816	NA	MeJP	NA	NA
+PJ006481	SMRW 	C25H38N8O6S	578.2635	NA	PeJP	NA	NA
+PJ006482	SSTER 	C21H38N8O11	578.266	NA	PeJP	NA	NA
+PJ006483	AAMMR 	C22H42N8O6S2	578.2669	NA	PeJP	NA	NA
+PJ006484	SSSLW 	C26H38N6O9	578.27	NA	PeJP	NA	NA
+MJ082742	Manduca sexta Midgut myotropin I 	C26H38N6O9	578.270026	NA	MeJP	NA	NA
+PJ006485	GPDKY 	C26H38N6O9	578.2701	NA	PeJP	NA	NA
+MJ082743	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5,7,9,10,13-Penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082744	16-Kaurene-1,3,6,7,11,15-hexol, 1,3,6,7,11-Penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082745	16-Kaurene-1,3,6,7,11,15-hexol, 1,6,7,11,15-Penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082746	16-Kaurene-2,3,6,7,11,15-hexol, 2,3,6,7,11-Penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082747	17-Hydroxyandrosta-4,6,15-trien-3-one; 17?-form, 17-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082748	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-?-D-Glucopyranoside 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082749	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 2,7,9,10,13-Penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082750	4(20),11-Taxadiene-2,5,7,9,10-pentol, 4,20-Epoxide, penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082751	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylpropanoyl), 1,6,19-tri-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082752	5,20-Epoxy-11-taxene-2,4,7,9,10-pentol, Penta-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082753	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-D-Digitaloside 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082754	8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 4-Hexanoyl, 2,9-di-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082755	8,17-Epoxy-2,9,12,14-tetrahydroxy-5-briaren-18,7-olide; 2-Butanoyl, 9,12,14-tri-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082756	Affinoside C; 4'?,12?-Dihydroxy 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082757	Affinoside C; 4'?,12?-Dihydroxy 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082758	Affinoside C; 5,12?-Dihydroxy 	C30H42O11	578.272712	NA	MeJP	NA	NA
+MJ082759	Perdeacyldecipinone; 5-Butanoyl, 3,13,15-tri-Ac 	C30H42O11	578.272712	NA	MeJP	NA	NA
+PJ006486	ATKEM 	C23H42N6O9S	578.2734	NA	PeJP	NA	NA
+7412	celiac sprue gluten epitope found in secalin	QRPEQQFPQ	578.2735	MH2+	Inhouse_peptide	NA	peptide
+PJ006487	GSPRY 	C25H38N8O8	578.2813	NA	PeJP	NA	NA
+PJ006488	ATTMR 	C22H42N8O8S	578.2847	NA	PeJP	NA	NA
+PJ006489	VQFW 	C30H38N6O6	578.2853	NA	PeJP	NA	NA
+MJ082760	Atrataphloroglucinol A 	C34H42O8	578.287968	NA	MeJP	NA	NA
+MJ082761	Depsidellin C 	C34H42O8	578.287968	NA	MeJP	NA	NA
+PJ006490	GPKMF 	C27H42N6O6S	578.2887	NA	PeJP	NA	NA
+PJ006491	TTTKE 	C23H42N6O11	578.2912	NA	PeJP	NA	NA
+PJ006492	GLKMM 	C24H46N6O6S2	578.292	NA	PeJP	NA	NA
+PJ006493	AVKMM 	C24H46N6O6S2	578.2921	NA	PeJP	NA	NA
+PJ006494	GTKHH 	C24H38N10O7	578.2925	NA	PeJP	NA	NA
+MJ082762	Difebarbamate 	C28H42N4O9	578.295178	NA	MeJP	NA	NA
+PJ006495	AFRW 	C29H38N8O5	578.2965	NA	PeJP	NA	NA
+PJ006496	TTTTR 	C22H42N8O10	578.3024	NA	PeJP	NA	NA
+PJ006497	APTKY 	C27H42N6O8	578.3064	NA	PeJP	NA	NA
+MJ082763	2,12,14-Trihydroxy-9-oxo-5,7-briaradien-18-oic acid; 7?,8?-Epoxide, 2,12-dibutanoyl, 14-Ac, Me ester 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082764	2,8,9,13,14-Pentahydroxy-5,11-briaradien-18-7-olide; 13,14-Dibutanoyl, 2-propanoyl 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082765	2,8,9,13,14-Pentahydroxy-5,11-briaradien-18-7-olide; 2-Hexanoyl, 14-propanoyl, 13-Ac 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082766	3,14,19-Trihydroxycard-20(22)-enolide, 19-Ac, 3-O-(6-deoxy-?-D-allopyranoside) 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082767	3,18-Dihydroxy-8(17),13-labdadien-15,16-olide, 3-Angeloyl, 18-O-?-D-glucopyranoside 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082768	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-fucopyranoside) 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082769	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-(6-Deoxy-2,3-di-O-methyl-?-D-glucopyranoside) 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082770	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-(6-O-Acetyl-2-deoxy-?-D-lyxo-hexopyranoside) 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082771	3,5,7,8,15-Pentahydroxy-6(17)11-jatrophadiene-9,14-dione, 5,7-Bis(2-methylpropanoyl), 3-propanoyl 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082772	Gitaloxigenin; 3-O-D-Digitaloside 	C31H46O10	578.309097	NA	MeJP	NA	NA
+MJ082773	Oscillatoxin A 	C31H46O10	578.309097	NA	MeJP	NA	NA
+C16771	Oscillatoxin A	C31H46O10	578.3091	NA	KEGG	NA	NA
+PJ006498	STLKM 	C24H46N6O8S	578.3098	NA	PeJP	NA	NA
+PJ006499	LQRY 	C26H42N8O7	578.3177	NA	PeJP	NA	NA
+PJ006500	VKFW 	C31H42N6O5	578.3217	NA	PeJP	NA	NA
+MJ082774	Hermonionic acid 	C35H46O7	578.324353	NA	MeJP	NA	NA
+PJ006501	TFRR 	C25H42N10O6	578.3289	NA	PeJP	NA	NA
+MJ082775	Echinophyllin B 	C34H46N2O6	578.335587	NA	MeJP	NA	NA
+MJ082776	Echinophyllin E 	C34H46N2O6	578.335587	NA	MeJP	NA	NA
+MJ082777	Roserythrin 	C39H46O4	578.339609	NA	MeJP	NA	NA
+PJ006502	GVLKY 	C28H46N6O7	578.3428	NA	PeJP	NA	NA
+MJ082778	Spirost-4-ene-2,3,11-triol, 11-O-(?-L-Arabinopyranoside) 	C32H50O9	578.345483	NA	MeJP	NA	NA
+PJ006503	LKRY 	C27H46N8O6	578.3541	NA	PeJP	NA	NA
+C13554	Prednisolone 21-all-cis-farnesylate	C36H50O6	578.3607	NA	KEGG	NA	NA
+C13555	Transferred to D02050	C36H50O6	578.3607	NA	KEGG	NA	NA
+MJ082779	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro 	C36H50O6	578.360739	NA	MeJP	NA	NA
+MJ082780	Hugonone A; 3-Ketone 	C36H50O6	578.360739	NA	MeJP	NA	NA
+MJ082781	Baleabuxidine I; N20,N20-Di-Me, N3-benzoyl, O16-Ac 	C35H50N2O5	578.371972	NA	MeJP	NA	NA
+MJ082782	Buxalongifolamidine 	C35H50N2O5	578.371972	NA	MeJP	NA	NA
+MJ082783	Buxoxybenzamine 	C35H50N2O5	578.371972	NA	MeJP	NA	NA
+MJ082784	Anhydroamarouciaxanthin B 	C40H50O3	578.375995	NA	MeJP	NA	NA
+MJ082785	Gelliodenone 	C40H50O3	578.375995	NA	MeJP	NA	NA
+MJ082786	Antibiotic FD 892; 8?,9?-Epoxide, 10?-hydroxy, 25-Me ether 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082787	Antibiotic MA 2664-II 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082788	Cholesta-5,24-diene-3,11,16,22-tetrol, 16-O-?-L-Rhamnopyranoside 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082789	Cholesta-7,9(11)-diene-3,4,15,24-tetrol, 3-(2-O-Methyl-?-D-xylopyranoside) 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082790	Spirostan-3-ol, 3-O-?-D-Galactopyranoside 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082791	Spirostan-3-ol, 3-O-?-D-Glucopyranoside 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082792	Spirostan-3-ol, 3-O-?-D-Galactopyranoside 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082793	Spirostan-3-ol, 3-O-?-D-Glucopyranoside 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MJ082794	Spirostane-1,3-diol, 1-O-?-L-Fucopyranoside 	C33H54O8	578.381868	NA	MeJP	NA	NA
+MetaCyc03897	(25S)-5-&beta;-spirostan-3-&beta;-ol 3-0-&beta;-D-glucoside []	C33H54O8	578.381869	NA	metacyc	NA	NA
+MetaCyc03898	(25S)-5&beta;-spirostan-3&beta;-ol 3-O-&beta;-D- glucoside []	C33H54O8	578.381869	NA	metacyc	NA	NA
+C08886	Asparagoside A	C33H54O8	578.3819	NA	KEGG	NA	NA
+C17074	Timosaponin A-I	C33H54O8	578.3819	NA	KEGG	NA	NA
+MJ082795	Antibiotic A 9828 	C30H58O10	578.402998	NA	MeJP	NA	NA
+MJ082796	Buxanoldine; 9,11-Dihydro, N3-Me, O16-Ac 	C36H54N2O4	578.408358	NA	MeJP	NA	NA
+MJ082797	Okenone 	C41H54O2	578.41238	NA	MeJP	NA	NA
+MJ082798	Ergost-5-ene-3,16,25-triol, 3-O-?-L-Fucopyranoside 	C34H58O7	578.418254	NA	MeJP	NA	NA
+HMDB12146	2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol	C38H58O4	578.433533	NA	HMDB2010	NA	NA
+MJ082799	29-(2,3,4,5-Tetrahydroxypentyl)-6,11-hopanediol 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082800	Annonacin; 4-Deoxy, 10-ketone 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082801	Asimilobin 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082802	Atemoyin 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082803	Goniotrionin 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082804	Murisolinone, 11,12Z-Didehydro 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082805	Parviflorin; 22-Epimer, 4-deoxy 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082806	Rollidecin C 	C35H62O6	578.454639	NA	MeJP	NA	NA
+MJ082807	Rollimembrin; 4-Deoxy 	C35H62O6	578.454639	NA	MeJP	NA	NA
+HMDB07074	DG(15:0/18:2(9Z,12Z)/0:0)	C36H66O5	578.491028	NA	HMDB2010	NA	NA
+HMDB07242	DG(18:2(9Z,12Z)/15:0/0:0)	C36H66O5	578.491028	NA	HMDB2010	NA	NA
+MJ082808	14-Oxoheptadecanoic acid; 15-Oxoeicosyl ester 	C37H70O4	578.52741	NA	MeJP	NA	NA
+MJ082809	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 1'-O-Octadecanoyl 	C37H70O4	578.52741	NA	MeJP	NA	NA
+MJ082810	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-Octadecanoyl 	C37H70O4	578.52741	NA	MeJP	NA	NA
+MJ082811	Tonkinelin 	C37H70O4	578.52741	NA	MeJP	NA	NA
+MJ082812	35-Hydroxynonatriacontanal 	C39H78O2	578.600181	NA	MeJP	NA	NA
+MJ082813	2-Tetracontanol 	C40H82O	578.636567	NA	MeJP	NA	NA
+5531	hevein	CPNNLCCSQWGWCG	578.7559	MH2+	Inhouse_peptide	NA	peptide
+2892	neuropeptide from eyestalk of Macrobrachium rosenb	GYNRSFLRF~	578.79845	MH2+	Inhouse_peptide	NA	peptide
+8316	Anticancer peptide	ENLHLPLPLL	578.83345	MH2+	Inhouse_peptide	NA	peptide
+PJ006504	CCCDH 	C19H29N7O8S3	579.124	NA	PeJP	NA	NA
+FL7AAIGL0011	Malvidin 3-(6''-malonylglucoside)	C26H27O15	579.13499	122856-12-6	knapsack	NA	NA
+MJ082814	Benanomicin A; Aglycone, 7-methoxy 	C29H25NO12	579.137675	NA	MeJP	NA	NA
+C06781	7-Methoxypradimicinone II	C29H25NO12	579.1377	NA	KEGG	NA	NA
+FL7AAAGL0017	Pelargonidin 3-p-coumarylglucoside	C30H27O12	579.15025	-	knapsack	NA	NA
+MetaCyc03899	pelargonidin 3-O-&beta;-D-p-coumaroylglucoside []	C30H27O12	579.150251	NA	metacyc	NA	NA
+C16368	Pelargonidin 3-(6-p-coumaroyl)glucoside	C30H27O12	579.1503	NA	KEGG	NA	NA
+MJ082815	Cephamycin B 	C25H29N3O11S	579.152279	NA	MeJP	NA	NA
+PJ006505	CNNDD 	C19H29N7O12S	579.1595	NA	PeJP	NA	NA
+PJ006506	SCCMH 	C20H33N7O7S3	579.1604	NA	PeJP	NA	NA
+PJ006507	SDDDE 	C20H29N5O15	579.166	NA	PeJP	NA	NA
+PJ006508	PCDDM 	C21H33N5O10S2	579.1669	NA	PeJP	NA	NA
+FL7AAAGA0003	Pelargonidin 3-robinobioside	C27H31O14	579.17138	54594-31-9	knapsack	NA	NA
+FL7AAAGL0006	Pelargonidin 3-neohesperidoside;Pelargonidin 3-(2-rhamnosylglucoside)	C27H31O14	579.17138	118964-12-8	knapsack	NA	NA
+FL7AAAGL0007	Pelargonidin 3-rutinoside	C27H31O14	579.17138	33978-17-5	knapsack	NA	NA
+FL7AAAGS0004	Pelargonidin 3-rhamnoside-5-glucoside	C27H31O14	579.17138	53925-32-9	knapsack	NA	NA
+FL7DAAGS0003	Apigeninidin 5,7-diglucoside	C27H31O14	579.17138	53948-04-2	knapsack	NA	NA
+MetaCyc03900	pelargonidin-3-O-rutinoside [pelargonidin-3-O-rhamnoglucoside;]	C27H31O14	579.171381	NA	metacyc	NA	NA
+C12644	Pelargonidin 3-O-rutinoside	C27H31O14	579.1714	NA	KEGG	NA	NA
+PJ006509	GSPCCN 	C20H33N7O9S2	579.1781	NA	PeJP	NA	NA
+PJ006510	GGGSPCC 	C20H33N7O9S2	579.1782	NA	PeJP	NA	NA
+MJ082816	N-Acetyl-O-demethylpuromycin-5'-phosphate 	C23H30N7O9P	579.184262	NA	MeJP	NA	NA
+C07030	N-Acetyl-O-demethylpuromycin-5'-phosphate	C23H30N7O9P	579.1843	NA	KEGG	NA	NA
+PJ006511	GDEEM 	C21H33N5O12S	579.1847	NA	PeJP	NA	NA
+PJ006512	ACCHF 	C24H33N7O6S2	579.1934	NA	PeJP	NA	NA
+MJ082817	Geodiamolide D; Bromo analogue 	C27H38BrN3O6	579.194398	NA	MeJP	NA	NA
+PJ006513	SNNDM 	C20H33N7O11S	579.1959	NA	PeJP	NA	NA
+PJ006514	DEMW 	C25H33N5O9S	579.1999	NA	PeJP	NA	NA
+PJ006515	SSEEE 	C21H33N5O14	579.2024	NA	PeJP	NA	NA
+PJ006516	SPDMM 	C22H37N5O9S2	579.2033	NA	PeJP	NA	NA
+PJ006517	GDDHH 	C22H29N9O10	579.2038	NA	PeJP	NA	NA
+MJ082818	Denticin A 	C30H33N3O7S	579.203921	NA	MeJP	NA	NA
+MJ082819	Ravidomycin; 1'',2''-Epoxide 	C31H33NO10	579.210446	NA	MeJP	NA	NA
+MJ082820	Ravidomycin; N-Oxide 	C31H33NO10	579.210446	NA	MeJP	NA	NA
+PJ006518	GSCQW 	C24H33N7O8S	579.2112	NA	PeJP	NA	NA
+PJ006519	ASSSND 	C20H33N7O13	579.2136	NA	PeJP	NA	NA
+PJ006520	GSSSNE 	C20H33N7O13	579.2137	NA	PeJP	NA	NA
+PJ006521	GNQMM 	C21H37N7O8S2	579.2145	NA	PeJP	NA	NA
+PJ006522	GPDEY 	C25H33N5O11	579.2177	NA	PeJP	NA	NA
+PJ006523	ATEEM 	C22H37N5O11S	579.2211	NA	PeJP	NA	NA
+PJ006524	APMMM 	C23H41N5O6S3	579.2219	NA	PeJP	NA	NA
+PJ006525	SPCHH 	C23H33N9O7S	579.2224	NA	PeJP	NA	NA
+PJ006526	GCNMR 	C20H37N9O7S2	579.2258	NA	PeJP	NA	NA
+PJ006527	SSSNW 	C24H33N7O10	579.2289	NA	PeJP	NA	NA
+MJ082821	Ipecosidic acid; 6-Me ether, Me ester 	C28H37NO12	579.231575	NA	MeJP	NA	NA
+MJ082822	Ipecosidic acid; 7-Me ether, Me ester 	C28H37NO12	579.231575	NA	MeJP	NA	NA
+MJ082823	Neoipecoside; 7-Me ether 	C28H37NO12	579.231575	NA	MeJP	NA	NA
+PJ006528	SSQQM 	C21H37N7O10S	579.2323	NA	PeJP	NA	NA
+PJ006529	PDYW 	C29H33N5O8	579.2329	NA	PeJP	NA	NA
+PJ006530	PPTCY 	C26H37N5O8S	579.2363	NA	PeJP	NA	NA
+PJ006531	TTTEE 	C22H37N5O13	579.2388	NA	PeJP	NA	NA
+PJ006532	GLEMM 	C23H41N5O8S2	579.2397	NA	PeJP	NA	NA
+PJ006533	GTEHH 	C23H33N9O9	579.2402	NA	PeJP	NA	NA
+PJ006534	SSCQR 	C20H37N9O9S	579.2435	NA	PeJP	NA	NA
+PJ006535	NNFW 	C28H33N7O7	579.2442	NA	PeJP	NA	NA
+MJ082824	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1-cinnamoyl, 9-Ac 	C32H37NO9	579.246831	NA	MeJP	NA	NA
+MJ082825	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 3-(3-Pyridinecarbonyl), 9-benzoyl, 1,2-di-Ac 	C32H37NO9	579.246831	NA	MeJP	NA	NA
+MJ082826	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-benzoyl, 1,8-di-Ac 	C32H37NO9	579.246831	NA	MeJP	NA	NA
+MJ082827	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(2-Pyridinecarbonyl), 9-benzoyl, 1,8-di-Ac 	C32H37NO9	579.246831	NA	MeJP	NA	NA
+MJ082828	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1,8-di-Ac 	C32H37NO9	579.246831	NA	MeJP	NA	NA
+MJ082829	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 14-benzoyl, 1,8-di-Ac 	C32H37NO9	579.246831	NA	MeJP	NA	NA
+PJ006536	GSCKW 	C25H37N7O7S	579.2475	NA	PeJP	NA	NA
+MJ082830	1-[[(2-Nitrophenyl)amino]carbonyl]prolyl-N-methyl-3-(2-naphthalenyl)-N-phenylmethylalaninamide 	C33H33N5O5	579.248169	NA	MeJP	NA	NA
+PJ006537	GSSSDK 	C21H37N7O12	579.25	NA	PeJP	NA	NA
+PJ006538	GNKMM 	C22H41N7O7S2	579.2509	NA	PeJP	NA	NA
+PJ006539	PMFW 	C30H37N5O5S	579.2516	NA	PeJP	NA	NA
+HMDB02486	Taurochenodeoxycholate-3-sulfate	C26H45NO9S2	579.25354	http://www.hmdb.ca/metabolites/HMDB02486	HMDB	NA	NA
+HMDB02486	Taurochenodeoxycholate-3-sulfate	C26H45NO9S2	579.25354	HMDB02486	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02486	Taurochenodeoxycholate-3-sulfate	C26H45NO9S2	579.253601	NA	HMDB2010	NA	NA
+HMDB02498	Taurochenodeoxycholate-7-sulfate	C26H45NO9S2	579.253601	NA	HMDB2010	NA	NA
+PJ006540	APTEY 	C26H37N5O10	579.2541	NA	PeJP	NA	NA
+PJ006541	LMMW 	C27H41N5O5S2	579.2549	NA	PeJP	NA	NA
+PJ006542	THHW 	C27H33N9O6	579.2554	NA	PeJP	NA	NA
+3263	b-casomorphin-5 (60-64)	YPFPG	579.256	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006543	STLEM 	C23H41N5O10S	579.2574	NA	PeJP	NA	NA
+PJ006544	GVMHH 	C24H37N9O6S	579.2588	NA	PeJP	NA	NA
+PJ006545	GSSSSR 	C20H37N9O11	579.2613	NA	PeJP	NA	NA
+PJ006546	ACCKR 	C21H41N9O6S2	579.2622	NA	PeJP	NA	NA
+7338	celiac sprue gluten epitope from gamma-gliadin	QQQQQQFPQ	579.263	MH2+	Inhouse_peptide	NA	peptide
+PJ006547	AAQQY 	C25H37N7O9	579.2653	NA	PeJP	NA	NA
+PJ006548	SSQKM 	C22H41N7O9S	579.2687	NA	PeJP	NA	NA
+MJ082831	Deprolorphin 	C30H37N5O7	579.269298	NA	MeJP	NA	NA
+PJ006549	VEFW 	C30H37N5O7	579.2693	NA	PeJP	NA	NA
+PJ006550	MHHR 	C23H37N11O5S	579.27	NA	PeJP	NA	NA
+PJ006551	GPLMY 	C27H41N5O7S	579.2727	NA	PeJP	NA	NA
+PJ006552	SVLMM 	C24H45N5O7S2	579.2761	NA	PeJP	NA	NA
+PJ006553	NQRY 	C24H37N9O8	579.2765	NA	PeJP	NA	NA
+PJ006554	GGGGPVH 	C24H37N9O8	579.2766	NA	PeJP	NA	NA
+3790	NA	YPTSL	579.278	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006555	SSCKR 	C21H41N9O8S	579.2799	NA	PeJP	NA	NA
+MJ082832	Anopterine; O11-Detigloyl, O11-(4-hydroxybenzoyl) 	C33H41NO8	579.283217	NA	MeJP	NA	NA
+MJ082833	Lythrancine I; 3-Epimer, tri-Ac 	C33H41NO8	579.283217	NA	MeJP	NA	NA
+MJ082834	Lythrancine I; Tri-Ac 	C33H41NO8	579.283217	NA	MeJP	NA	NA
+PJ006556	PPVMH 	C26H41N7O6S	579.2839	NA	PeJP	NA	NA
+MJ082835	5-?-Indolylmethyl-8-N-(N-methylvalyl)-9-phenylphencyclopeptine 	C34H37N5O4	579.284554	NA	MeJP	NA	NA
+PJ006557	GSSTTK 	C22H41N7O11	579.2864	NA	PeJP	NA	NA
+PJ006558	ACKKM 	C23H45N7O6S2	579.2873	NA	PeJP	NA	NA
+PJ006559	GPNHR 	C23H37N11O7	579.2878	NA	PeJP	NA	NA
+PJ006560	SPTLY 	C27H41N5O9	579.2904	NA	PeJP	NA	NA
+PJ006561	GVLEY 	C27H41N5O9	579.2905	NA	PeJP	NA	NA
+3497	ACE inhibitor (from bovine as1-CN)	FFVAP	579.293	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ082836	Verruculogen; O13-3-Methyl-2-butenyl 	C32H41N3O7	579.29445	NA	MeJP	NA	NA
+3044	inhibitor of fibrinogen and thrombin coagulation	GPRGPP	579.299	celiac toxic	Inhouse_peptide	NA	peptide
+PJ006562	LERY 	C26H41N7O8	579.3017	NA	PeJP	NA	NA
+PJ006563	TTCKK 	C23H45N7O8S	579.305	NA	PeJP	NA	NA
+PJ006564	SSKKM 	C23H45N7O8S	579.3051	NA	PeJP	NA	NA
+PJ006565	VLYW 	C31H41N5O6	579.3057	NA	PeJP	NA	NA
+PJ006566	GLLMF 	C28H45N5O6S	579.3091	NA	PeJP	NA	NA
+PJ006567	NKRY 	C25H41N9O7	579.3129	NA	PeJP	NA	NA
+MJ082837	Rhizoxin; 2,3:11,12-Bisdeepoxy, 2,3,11,12-tetradehydro, O-de-Me 	C34H45NO7	579.319602	NA	MeJP	NA	NA
+PJ006568	ATLLY 	C28H45N5O8	579.3268	NA	PeJP	NA	NA
+MJ082838	Destruxin E; Destruxin E2 	C28H45N5O8	579.326813	NA	MeJP	NA	NA
+PJ006569	AAKKY 	C27H45N7O7	579.3381	NA	PeJP	NA	NA
+MJ082839	Apicidin; Pyrrolidine analogue, N-demethoxy 	C32H45N5O5	579.342069	NA	MeJP	NA	NA
+PJ006570	APKKH 	C26H45N9O6	579.3493	NA	PeJP	NA	NA
+EUR902	Lyso PE 22:2 [M+FA-H]-	C27H52NO7P	579.353022	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR902	Lyso PE 22:2 [M+FA-H]-	C27H52NO7P	579.353022	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR902	Lyso PE 22:2 [M+FA-H]-	C27H52NO7P	579.353022	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR902	Lyso PE 22:2 [M+FA-H]-	C27H52NO7P	579.353022	masses lipides attendues	Inhousejuil11	NA	NA
+EUR663	Lyso PC 18:2 [M-H+acetate]-	C26H50NO7P	579.353592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR663	Lyso PC 18:2 [M-H+acetate]-	C26H50NO7P	579.353592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR663	Lyso PC 18:2 [M-H+acetate]-	C26H50NO7P	579.353592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR663	Lyso PC 18:2 [M-H+acetate]-	C26H50NO7P	579.353592	masses lipides attendues	Inhousejuil11	NA	NA
+MJ082840	Destruxin A; Destruxin A, Dihydro 	C29H49N5O7	579.363198	NA	MeJP	NA	NA
+MJ082841	Destruxin B; Destruxin B, NVal-De-Me 	C29H49N5O7	579.363198	NA	MeJP	NA	NA
+MJ082842	Destruxin B; Destruxin B2 	C29H49N5O7	579.363198	NA	MeJP	NA	NA
+PJ006571	VVLLH 	C28H49N7O6	579.3745	NA	PeJP	NA	NA
+MJ082843	Hexanolamino-PAF 	C30H62NO7P	579.426389	NA	MeJP	NA	NA
+EUR769	Lyso PC 22:0 monoisotopic mass 	C30H62NO7P	579.426392	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR769	Lyso PC 22:0 monoisotopic mass 	C30H62NO7P	579.426392	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR769	Lyso PC 22:0 monoisotopic mass 	C30H62NO7P	579.426392	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB10398	LysoPC(22:0)	C30H62NO7P	579.426392	NA	HMDB2010	NA	NA
+EUR769	Lyso PC 22:0 monoisotopic mass 	C30H62NO7P	579.426392	masses lipides attendues	Inhousejuil11	NA	NA
+C01284	1D-myo-Inositol 1,3,4,5,6-pentakisphosphate	C6H17O21P5	579.895	NA	KEGG	NA	NA
+C04563	D-myo-Inositol 1,2,4,5,6-pentakisphosphate	C6H17O21P5	579.895	NA	KEGG	NA	NA
+C04564	[Isocitrate dehydrogenase (NADP+)] phosphate	C4H7N2O6PR2	579.895	NA	KEGG	NA	NA
+C04565	Low-density lipoprotein O-phospho-L-serine	C4H7N2O6PR2	579.895	NA	KEGG	NA	NA
+C04566	Membrane-derived-oligosaccharide D-glucose	C4H7N2O6PR2	579.895	NA	KEGG	NA	NA
+C04570	Reduced electron-transferring flavoprotein	C4H7N2O6PR2	579.895	NA	KEGG	NA	NA
+C04579	Inositol 1,2,3,5,6-pentakisphosphate	C6H17O21P5	579.895	NA	KEGG	NA	NA
+C15990	1L-myo-Inositol 1,2,3,4,6-pentakisphosphate	C6H17O21P5	579.895	NA	KEGG	NA	NA
+C15991	myo-Inositol pentakisphosphate	C6H17O21P5	579.895	NA	KEGG	NA	NA
+HMDB03529	Inositol 1,3,4,5,6-pentakisphosphate	C6H17O21P5	579.89502	http://www.hmdb.ca/metabolites/HMDB03529	HMDB	NA	NA
+HMDB03529	Inositol 1,3,4,5,6-pentakisphosphate	C6H17O21P5	579.89502	HMDB03529	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03529	Inositol 1,3,4,5,6-pentakisphosphate	C6H17O21P5	579.89502	NA	HMDB2010	NA	NA
+MJ082844	1D-myo-Inositol 1,3,4,5,6-pentakisphosphate 	C6H17O21P5	579.89504	NA	MeJP	NA	NA
+MJ082845	D-myo-Inositol 1,2,4,5,6-pentakisphosphate 	C6H17O21P5	579.89504	NA	MeJP	NA	NA
+MJ082846	Inositol 1,2,3,4,5-pentakisphosphate 	C6H17O21P5	579.89504	NA	MeJP	NA	NA
+MetaCyc03901	L-myo-inositol 1,2,3,4,6-pentakisphosphate [Ins(12346)P5;]	C6H17O21P5	579.89504	NA	metacyc	NA	NA
+MJ082847	Dragmacidon A; 7'-Bromo, 4'-hydroxy 	C21H19Br3N4O	579.910899	NA	MeJP	NA	NA
+MJ082848	UDP-D-galacturonate 	C15H22N2O18P2	580.034284	NA	MeJP	NA	NA
+MJ082849	UDP-L-iduronate 	C15H22N2O18P2	580.034284	NA	MeJP	NA	NA
+MJ082850	UDPglucuronate 	C15H22N2O18P2	580.034284	NA	MeJP	NA	NA
+MetaCyc03902	UDP-D-galacturonate [UDP-galacturonate;]	C15H22N2O18P2	580.034285	NA	metacyc	NA	NA
+MetaCyc03903	UDP-L-iduronate []	C15H22N2O18P2	580.034285	NA	metacyc	NA	NA
+MetaCyc03904	UDP-D-glucuronate [udp-glcua;UDP-glucuronate;uridine diphosphate glucuronate;uridine diphosphate glucuronic acid;]	C15H22N2O18P2	580.034285	2616-64-0	metacyc	NA	NA
+HMDB00935	Uridine diphosphate glucuronic acid	C15H22N2O18P2	580.0343	http://www.hmdb.ca/metabolites/HMDB00935	HMDB	NA	NA
+C00167	UDP-glucuronate	C15H22N2O18P2	580.0343	NA	KEGG	NA	NA
+C00617	UDP-D-galacturonate	C15H22N2O18P2	580.0343	NA	KEGG	NA	NA
+C02330	UDP-L-iduronate	C15H22N2O18P2	580.0343	NA	KEGG	NA	NA
+HMDB00935	Uridine diphosphate glucuronic acid	C15H22N2O18P2	580.0343	HMDB00935	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00935	Uridine diphosphate glucuronic acid	C15H22N2O18P2	580.034302	NA	HMDB2010	NA	NA
+HMDB12302	UDP-D-galacturonate	C15H22N2O18P2	580.034302	NA	HMDB2010	NA	NA
+HMDB12304	UDP-L-iduronate	C15H22N2O18P2	580.034302	NA	HMDB2010	NA	NA
+MJ082851	Theaflavic acid; 3-Epimer, 3-O-(3,4,5-trihydroxybenzoyl) 	C28H20O14	580.085305	NA	MeJP	NA	NA
+MJ082852	Sprodiamide 	C16H26DyN5O8	580.107308	NA	MeJP	NA	NA
+C15624	GW 2433	C28H28Cl3FN2O4	580.1099	NA	KEGG	NA	NA
+C10182	Sciadopitysin	C33H24O10	580.1369	NA	KEGG	NA	NA
+MJ082853	6-C-Methylamentoflavone; 4',7-Di-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082854	Abiesin 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082855	Agathisflavone; 4''',7,7''-Tri-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082856	Amentoflavone; 4''',7,7''-Tri-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082857	Amentoflavone; 4',4''',7''-Tri-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082858	Amentoflavone; 4',4''',7-Tri-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082859	Amentoflavone; 4',7,7''-Tri-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082860	Robustaflavone; 4''',7,7''-Tri-Me ether 	C33H24O10	580.136946	NA	MeJP	NA	NA
+MJ082861	Sinapiquinone 	C33H24O10	580.136946	NA	MeJP	NA	NA
+C10026	Carlinoside	C26H28O15	580.1428	NA	KEGG	NA	NA
+C10109	Neocarlinoside	C26H28O15	580.1428	NA	KEGG	NA	NA
+MJ082862	3',4',5,6,7-Pentahydroxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-L-arabinopyranoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082863	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?4)-D-xylopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082864	3',4',5,7-Tetrahydroxyflavone; 3'-O-Xylopyranoside, 7-O-glucopyranoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082865	3',4',5,7-Tetrahydroxyflavone; 3'-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082866	3',4',5,7-Tetrahydroxyflavone; 5(7)-Galactoside, 7(5)-xyloside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082867	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082868	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?4)-?-L-arabinopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082869	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082870	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082871	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082872	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082873	3',4',5,7-Tetrahydroxyflavone; 7-O-[Arabinosyl-(1??)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082874	3',4',5,7-Tetrahydroxyflavone; 7-O-[D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082875	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082876	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082877	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnofuranosyl-(1?2)-?-L-arabinopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082878	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinofuranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082879	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082880	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-xyloside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082881	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[Arabinosyl-(1??)-arabinoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082882	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[Xylosyl-(1??)-arabinoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082883	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-?-D-xylofuranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082884	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082885	3,4',5,7-Tetrahydroxyflavone; 3-O-[Arabinosyl-(1??)-glucoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082886	3,4',5,7-Tetrahydroxyflavone; 3-O-[Xylosyl-(??)-glucoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082887	3,4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082888	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082889	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-galactopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082890	4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082891	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 5-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082892	Astragalin; 2''-O-?-D-Apiofuranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082893	Astragalin; 6''-O-?-L-Arabinopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082894	Astragalin; 7-O-Xylopyranoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082895	Astragalin; 7-O-?-L-Arabinopyranoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082896	Astragalin; O''-Xylosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082897	Carlinoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082898	Isocarlinoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082899	Isoorientin; 2''-O-?-D-Xylopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082900	Isoorientin; 2''-O-?-L-Arabinofuranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082901	Isoorientin; 6''-O-?-L-Arabinopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082902	Lucenin 1 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082903	Lucenin 3 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082904	Neocarlinoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082905	Orientin; 2''-O-?-Arabinopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082906	Orientin; 2''-O-?-D-Xylopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082907	Orientin; 2''-O-?-L-Arabinofuranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082908	Orientin; 6''-O-?-D-Xylopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082909	Populnin; 3-O-D-Xyloside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082910	Quercitrin; 2''-O-?-D-Xylopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082911	Quercitrin; 2''-O-?-L-Arabinopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082912	Quercitrin; 3''-O-?-D-Xylopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082913	Trifolin; 2''-O-?-D-Apiofuranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082914	Trifolin; 2''-O-?-D-Xylopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082915	Trifolin; 6''-O-L-Arabinopyranosyl 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082916	Vincetoxicoside B; 3-O-Arabinoside 	C26H28O15	580.14282	NA	MeJP	NA	NA
+MJ082917	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082918	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082919	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082920	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?4)-D-glucopyranoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082921	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Arabinosyl-(1??)-galactoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082922	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Arabinosyl-(1??)-glucoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082923	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-galactoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082924	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(1??)-glucoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082925	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Xylosyl-(??)-galactoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+MJ082926	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-arabinoside] 	C26H29O15(+)	580.14282	NA	MeJP	NA	NA
+FL3FACCS0013	Orientin 2''-O-beta-L-arabinofuranoside	C26H28O15	580.14282	-	knapsack	NA	NA
+FL3FACCS0014	Adonivernith	C26H28O15	580.14282	11003-05-7	knapsack	NA	NA
+FL3FACCS0015	Isoorientin 6''-O-alpha-L-arabinoside	C26H28O15	580.14282	79078-23-2	knapsack	NA	NA
+FL3FACCS0016	Isoorientin 2''-O-xyloside	C26H28O15	580.14282	53563-66-9	knapsack	NA	NA
+FL3FACCS0017	Isoorientin 2''-O-beta-L-arabinofuranoside	C26H28O15	580.14282	-	knapsack	NA	NA
+FL3FACCS0018	Lucenin 1	C26H28O15	580.14282	35927-39-0	knapsack	NA	NA
+FL3FACCS0019	Lucenin 3	C26H28O15	580.14282	12656-83-6<BR>35927-40-3	knapsack	NA	NA
+FL3FACCS0020	Carlinoside;Lucenin 5;Luteolin 6-C-beta-D-glucopyranoside-8-C-alpha-L-arabinopyranoside	C26H28O15	580.14282	59952-97-5	knapsack	NA	NA
+FL3FACCS0021	Isocarlinoside	C26H28O15	580.14282	83151-90-0	knapsack	NA	NA
+FL3FACCS0022	Neocarlinoside	C26H28O15	580.14282	83151-89-7	knapsack	NA	NA
+FL3FACCS0024	Orientin 2''-O-beta-arabinopyranoside	C26H28O15	580.14282	157530-32-0	knapsack	NA	NA
+FL3FACCS0050	Isoorientin 2''-O-apiofuranoside;6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C26H28O15	580.14282	605671-18-9	knapsack	NA	NA
+FL3FACCS0051	Isoorientin 2''-O-arabinoside	C26H28O15	580.14282	182951-72-0	knapsack	NA	NA
+FL3FACDS0001	Isoorientin 7-O-xyloside	C26H28O15	580.14282	152231-10-2	knapsack	NA	NA
+FL3FACDS0022	Isoorientin 7-O-apiofuranoside	C26H28O15	580.14282	151649-39-7	knapsack	NA	NA
+FL3FACGS0019	Luteolin 7-arabinofuranosyl-(1->6)-glucoside	C26H28O15	580.14282	111537-40-7	knapsack	NA	NA
+FL3FACGS0020	Luteolin 7-arabinopyranosyl-(1->6)-glucoside	C26H28O15	580.14282	52714-82-6	knapsack	NA	NA
+FL3FACGS0021	Luteolin 7-sambubioside	C26H28O15	580.14282	99694-75-4	knapsack	NA	NA
+FL3FACGS0022	Luteolin 7-apiosyl-(1->2)-glucoside;Luteolin 7-O-[2-(beta-D-apiofuranosyl)-beta-D-glucopyranoside]	C26H28O15	580.14282	506410-53-3	knapsack	NA	NA
+FL3FACGS0029	Luteolin 7-glucoside-3'-xyloside	C26H28O15	580.14282	102506-55-8	knapsack	NA	NA
+FL3FACGS0073	Luteolin 7-glucosyl(1->4)-alpha-L-arabinopyranoside;2-(3,4-Dihydroxyphenyl)-7-[(4-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one	C26H28O15	580.14282	186466-43-3	knapsack	NA	NA
+FL3FACGS0074	Luteolin 7-primeveroside;Luteolin 7-xylosyl(1->6)glucoside;2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C26H28O15	580.14282	19870-44-1	knapsack	NA	NA
+FL3FACGS0075	Luteolin 7-apiosyl(1->6)glucoside;7-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C26H28O15	580.14282	211561-67-0	knapsack	NA	NA
+FL3FACGS0079	Luteolin 3'-xylosyl(1->2)glucoside;5,7-Dihydroxy-2-[4-hydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]-4H-1-benzopyran-4-one	C26H28O15	580.14282	220916-55-2	knapsack	NA	NA
+FL3FEAGS0028	6-Hydroxyapigenin 7-xylosyl-(1->6)-galactoside;Scutellarein 7-xylosyl-(1->6)-galactoside;5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-[(6-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one	C26H28O15	580.14282	151767-51-0	knapsack	NA	NA
+FL3FECGS0014	6-Hydroxyluteolin 7-rhamnosyl-(1->4)-xyloside	C26H28O15	580.14282	67604-93-7	knapsack	NA	NA
+FL3FECGS0019	6-Hydroxyluteolin 7-arabinoside-4'-rhamnoside	C26H28O15	580.14282	53020-88-5	knapsack	NA	NA
+FL3FFAGS0013	8-Hydroxyapigenin 7-glucosyl-(1->2)-xyloside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy]-5,8-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C26H28O15	580.14282	175923-47-4	knapsack	NA	NA
+FL5FAAGA0003	Kaempferol 3-apiosyl-(1->2)-galactoside	C26H28O15	580.14282	132294-84-9	knapsack	NA	NA
+FL5FAAGA0004	Kaempferol 3-lathyroside	C26H28O15	580.14282	83144-68-7	knapsack	NA	NA
+FL5FAAGL0003	Kaempferol 3-apiosyl-(1->2)-glucoside	C26H28O15	580.14282	99816-59-8	knapsack	NA	NA
+FL5FAAGL0004	Kaempferol 3-vicianoside	C26H28O15	580.14282	110352-79-9	knapsack	NA	NA
+FL5FAAGL0005	Leucoside;Kaempferol 3-sambubioside;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C26H28O15	580.14282	27661-51-4	knapsack	NA	NA
+FL5FAAGL0012	Kaempferol 3-glucoside-7-alpha-L-arabinopyranoside	C26H28O15	580.14282	71539-82-7	knapsack	NA	NA
+FL5FAAGL0013	Kaempferol 3-glucoside-7-xyloside	C26H28O15	580.14282	61032-88-0	knapsack	NA	NA
+FL5FAAGS0024	Kaempferol 3-xyloside-7-glucoside	C26H28O15	580.14282	96751-10-9	knapsack	NA	NA
+FL5FAAGS0034	Kaempferol 7-glucosyl-(1->4)-xyloside	C26H28O15	580.14282	152950-73-7	knapsack	NA	NA
+FL5FACGS0022	Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside	C26H28O15	580.14282	86749-52-2	knapsack	NA	NA
+FL5FACGS0026	Quercetin 3-xylosyl-(1->2)-rhamnoside	C26H28O15	580.14282	130866-55-6	knapsack	NA	NA
+FL5FACGS0032	Quercetin 3-xyloside-7-rhamnoside	C26H28O15	580.14282	102733-91-5	knapsack	NA	NA
+FL5FACGS0033	Quercetin 3-rhamnoside-7-alpha-L-arabinopyranoside	C26H28O15	580.14282	165673-60-9	knapsack	NA	NA
+FL5FACGS0065	Artabotryside A;Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinofuranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C26H28O15	580.14282	188837-51-6	knapsack	NA	NA
+FLNAACGS0002	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-apiosyl-(1->6)-glucoside	C26H28O15	580.14282	116329-90-9	knapsack	NA	NA
+PJ006572	CNDDD 	C19H28N6O13S	580.1435	NA	PeJP	NA	NA
+FL1C3AGS0001	4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl)glucoside	C30H28O12	580.15807	597550-50-0	knapsack	NA	NA
+FL1C3AGS0002	4,2',3',4'-Tetrahydroxychalcone 4'-O-(6''-O-p-coumaroyl)glucoside	C30H28O12	580.15807	186145-46-0	knapsack	NA	NA
+FL1CAAGS0002	Chalconaringenin 2'-(6''-p-coumarylglucoside)	C30H28O12	580.15807	27960-53-8	knapsack	NA	NA
+FL2FAAGS0011	Prunin 6''-p-coumarate	C30H28O12	580.15807	96686-70-3	knapsack	NA	NA
+FL2FAAGS0012	Prunin 3''-p-coumarate	C30H28O12	580.15807	84813-73-0	knapsack	NA	NA
+FL2FAAGS0024	Naringenin 7-(2-p-Coumaroylglucoside);5,7,4'-Trihydroxyflavanone 7-(2-p-Coumaroylglucoside)	C30H28O12	580.15807	172089-70-2	knapsack	NA	NA
+FL4DACGS0030	Taxifolin 3-(3-cinnamoylrhamnoside)	C30H28O12	580.15807	398473-13-7	knapsack	NA	NA
+MJ082927	2',3',4,4'-Tetrahydroxychalcone, 4'-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082928	2',4,4',6'-Tetrahydroxychalcone; 4-O-(p-Hydroxycinnamoyl-?-D-glucopyranoside) 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082929	4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082930	4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxycinnamoyl-(?3)-?-D-glucopyranoside] 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082931	4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082932	6-[1-(3,4-Dihydroxyphenyl)-2-hydroxy-3-(3,4,5-trihydroxyphenyl)propyl]-3,3',4',7,8-pentahydroxyflavan 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082933	Diphyllin; O-[2-Butenoyl-D-xylopyranoside] 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082934	Gambiriin A1 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082935	Gambiriin A3 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082936	Rhododactynaphin jc-2; 4?-Hydroxy 	C30H28O12	580.158076	NA	MeJP	NA	NA
+MJ082937	Xanthodactynaphin jc-1 	C30H28O12	580.158076	NA	MeJP	NA	NA
+C17772	Gambiriin A1	C30H28O12	580.1581	NA	KEGG	NA	NA
+C17773	Gambiriin A2	C30H28O12	580.1581	NA	KEGG	NA	NA
+C17774	Gambiriin A3	C30H28O12	580.1581	NA	KEGG	NA	NA
+PJ006573	GSPCCD 	C20H32N6O10S2	580.1622	NA	PeJP	NA	NA
+C08928	Mulberrofuran C	C34H28O9	580.1733	NA	KEGG	NA	NA
+MJ082938	Albafuran C 	C34H28O9	580.173332	NA	MeJP	NA	NA
+MJ082939	Mulberrofuran 	C34H28O9	580.173332	NA	MeJP	NA	NA
+MJ082940	Setomimycin 	C34H28O9	580.173332	NA	MeJP	NA	NA
+PJ006574	CCNNQ 	C19H32N8O9S2	580.1734	NA	PeJP	NA	NA
+HMDB02927	Naringin	C27H32O14	580.179199	NA	HMDB2010	NA	NA
+HMDB02927	Naringin	C27H32O14	580.1792	http://www.hmdb.ca/metabolites/HMDB02927	HMDB	NA	NA
+C09789	Naringin	C27H32O14	580.1792	NA	KEGG	NA	NA
+C09793	Narirutin	C27H32O14	580.1792	NA	KEGG	NA	NA
+C10307	Cascaroside A	C27H32O14	580.1792	NA	KEGG	NA	NA
+C16423	Naringin chalcone	C27H32O14	580.1792	NA	KEGG	NA	NA
+C16799	Cascaroside B	C27H32O14	580.1792	NA	KEGG	NA	NA
+FL1C1AGS0005	Isoliquiritigenin 4,4'-diglucoside	C27H32O14	580.1792	69262-36-8	knapsack	NA	NA
+FL1CAAGS0007	Chalconaringenin 2'-rhamnosyl-(1->4)-glucoside	C27H32O14	580.1792	81139-16-4	knapsack	NA	NA
+FL2FAAGS0001	Naringin	C27H32O14	580.1792	10236-47-2	knapsack	NA	NA
+FL2FAAGS0002	Narirutin	C27H32O14	580.1792	14259-46-2	knapsack	NA	NA
+FL2FAAGS0006	Naringenin 5-O-neohesperidoside	C27H32O14	580.1792	88795-39-5	knapsack	NA	NA
+FL2FAAGS0017	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside	C27H32O14	580.1792	71481-41-9	knapsack	NA	NA
+FL2FABGS0009	Isosakuranetin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside;5,7-Dihydroxy-4'-methoxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside	C27H32O14	580.1792	340816-07-1	knapsack	NA	NA
+FL4D1AGS0002	Kushenol J	C27H32O14	580.1792	101236-48-0	knapsack	NA	NA
+HMDB02927	Naringin	C27H32O14	580.1792	HMDB02927	PFEM_hmdb_metabocards_official	NA	NA
+MJ082941	1,3,8,9-Tetrahydroxy-6-methylanthracene; O-Diglucoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082942	1,8-Dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone; O-Diglucoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082943	10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(E-), di-Me ester 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082944	10-Hydroxyoleoside, 10-(4-Hydroxycinnamoyl)(Z-), di-Me ester 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082945	2',4,4'-Trihydroxychalcone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082946	2',4,4'-Trihydroxychalcone; 4,4'-Di-O-?-D-glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082947	3',4',5,5',6,7,8-Heptahydroxyflavone; 3',4',5',6,7,8-Hexa-Me ether, 5-O-?-D-glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082948	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether, 3-O-?-D-glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082949	3,4',7-Trihydroxyflavanone, 4'-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082950	4',5,7-Trihydroxyflavanone, 4'-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082951	4',5,7-Trihydroxyflavanone, 5-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082952	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082953	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082954	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082955	4',5-Dihydroxy-7-methoxyflavanone, 5-O-[?-D-Lyxopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082956	4',7-Dihydroxyflavanone, 4',7-Di-O-?-D-glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082957	5,7-Dihydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082958	8-Glucopyranosyl-4',5,7-trihydroxyflavanone, 2''-O-?-L-Rhamnopyranosyl 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082959	Aloin, 1''-Deoxy, 6-hydroxy, 8-O-?-D-glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082960	Aloin, 8-O-?-D-Glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082961	Aloin, 1''-Deoxy, 6-hydroxy, 8-O-?-D-glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082962	Aloin, 8-O-?-D-Glucopyranoside 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082963	Castavinol; 5'-Methoxy 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082964	Quinquangulin; 6-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082965	Scandoside; 6-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), Me ester 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MJ082966	Scandoside; 6-O-(4-Hydroxy-3-methoxycinnamoyl)(Z-), Me ester 	C27H32O14	580.179205	NA	MeJP	NA	NA
+MetaCyc03905	narirutin [naringenin-7-O-rutinoside;]	C27H32O14	580.179206	NA	metacyc	NA	NA
+MetaCyc03906	naringin [naringenin 7-O-(&beta;-L-rhamnosyl-(1,2)-&beta;-D-glucoside);]	C27H32O14	580.179206	NA	metacyc	NA	NA
+PJ006575	SNDDM 	C20H32N6O12S	580.1799	NA	PeJP	NA	NA
+PJ006576	PCCQM 	C21H36N6O7S3	580.1808	NA	PeJP	NA	NA
+PJ006577	GSSCNN 	C19H32N8O11S	580.1911	NA	PeJP	NA	NA
+PJ006578	GGGSSCN 	C19H32N8O11S	580.1912	NA	PeJP	NA	NA
+PJ006579	PCCCR 	C20H36N8O6S3	580.192	NA	PeJP	NA	NA
+PJ006580	GSCEW 	C24H32N6O9S	580.1952	NA	PeJP	NA	NA
+PJ006581	GSSSDE 	C20H32N6O14	580.1977	NA	PeJP	NA	NA
+PJ006582	GNEMM 	C21H36N6O9S2	580.1985	NA	PeJP	NA	NA
+PJ006583	GGGEMM 	C21H36N6O9S2	580.1986	NA	PeJP	NA	NA
+MJ082967	Renieramycin A; 1-Oxo 	C30H32N2O10	580.205695	NA	MeJP	NA	NA
+PJ006584	GCDMR 	C20H36N8O8S2	580.2098	NA	PeJP	NA	NA
+PJ006585	SCWW 	C28H32N6O6S	580.2104	NA	PeJP	NA	NA
+PJ006586	SSSDW 	C24H32N6O11	580.2129	NA	PeJP	NA	NA
+PJ006587	NMMW 	C25H36N6O6S2	580.2138	NA	PeJP	NA	NA
+MJ082968	8,17-Epoxy-2,3,4,9,11,12-hexahydroxy-5,13-briaradien-18,7-olide, 2,3,4,9-Tetra-Ac 	C28H36O13	580.215591	NA	MeJP	NA	NA
+MJ082969	8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,3,9,14-tetra-Ac 	C28H36O13	580.215591	NA	MeJP	NA	NA
+MJ082970	Neoolivil; 4-O-?-D-Glucopyranoside, 9-Ac 	C28H36O13	580.215591	NA	MeJP	NA	NA
+MJ082971	Syringaresinol, 7-Epimer, 4-O-?-D-glucopyranoside 	C28H36O13	580.215591	NA	MeJP	NA	NA
+MJ082972	Syringaresinol, Mono-O-?-D-glucopyranoside 	C28H36O13	580.215591	NA	MeJP	NA	NA
+MJ082973	Syringaresinol, 4-O-?-D-Glucopyranoside 	C28H36O13	580.215591	NA	MeJP	NA	NA
+C10890	(+)-Syringaresinol O-beta-D-glucoside	C28H36O13	580.2156	NA	KEGG	NA	NA
+PJ006588	SSQEM 	C21H36N6O11S	580.2163	NA	PeJP	NA	NA
+PJ006589	PCCKM 	C22H40N6O6S3	580.2172	NA	PeJP	NA	NA
+PJ006590	GCQHH 	C22H32N10O7S	580.2176	NA	PeJP	NA	NA
+PJ006591	GGACHH 	C22H32N10O7S	580.2177	NA	PeJP	NA	NA
+MJ082974	Maytansinol; 15R-Hydroxy 	C28H37ClN2O9	580.218758	NA	MeJP	NA	NA
+MJ082975	Maytansinol; 15S-Hydroxy 	C28H37ClN2O9	580.218758	NA	MeJP	NA	NA
+PJ006592	GNNNY 	C23H32N8O10	580.2242	NA	PeJP	NA	NA
+PJ006593	SSCER 	C20H36N8O10S	580.2275	NA	PeJP	NA	NA
+PJ006594	NDFW 	C28H32N6O8	580.2282	NA	PeJP	NA	NA
+MJ082976	Antibiotic NF 00634-4 	C32H36O10	580.230847	NA	MeJP	NA	NA
+MJ082977	Cardinalin 1 	C32H36O10	580.230847	NA	MeJP	NA	NA
+MJ082978	Cytonic acid A 	C32H36O10	580.230847	NA	MeJP	NA	NA
+MJ082979	Cytonic acid B 	C32H36O10	580.230847	NA	MeJP	NA	NA
+MJ082980	Schizantherin L; O-Angeloyl 	C32H36O10	580.230847	NA	MeJP	NA	NA
+MJ082981	Schizantherin L; O-Tigloyl 	C32H36O10	580.230847	NA	MeJP	NA	NA
+MJ082982	Thielavin C 	C32H36O10	580.230847	NA	MeJP	NA	NA
+PJ006595	GSTMW 	C25H36N6O8S	580.2316	NA	PeJP	NA	NA
+MetaCyc03907	biliverdin [dehydrobilirubin;uteroverdine;biliverdine;biliverdin-IX-&alpha;;]	C33H32N4O6	580.232185	NA	metacyc	NA	NA
+PJ006596	SSSSVD 	C21H36N6O13	580.234	NA	PeJP	NA	NA
+PJ006597	GSSTTE 	C21H36N6O13	580.2341	NA	PeJP	NA	NA
+PJ006598	GDKMM 	C22H40N6O8S2	580.2349	NA	PeJP	NA	NA
+PJ006599	SSNHH 	C22H32N10O9	580.2354	NA	PeJP	NA	NA
+MJ082983	1,1'-[[2,4-Bis(6-methoxy-1,3-benzodioxol-5-yl)-1,3-cyclobutanediyl]dicarbonyl]bispyrrolidine; 3'-Methoxy 	C31H36N2O9	580.24208	NA	MeJP	NA	NA
+PJ006600	PPCQH 	C24H36N8O7S	580.2428	NA	PeJP	NA	NA
+PJ006601	GSMMR 	C21H40N8O7S2	580.2462	NA	PeJP	NA	NA
+PJ006602	MHFF 	C29H36N6O5S	580.2468	NA	PeJP	NA	NA
+PJ006603	SSTTW 	C25H36N6O10	580.2493	NA	PeJP	NA	NA
+MJ082984	Hydrangenoside E 	C29H40O12	580.251976	NA	MeJP	NA	NA
+PJ006604	SSKEM 	C22H40N6O10S	580.2527	NA	PeJP	NA	NA
+PJ006605	GCKHH 	C23H36N10O6S	580.254	NA	PeJP	NA	NA
+C09418	Daphnoline	C35H36N2O6	580.2573	NA	KEGG	NA	NA
+MJ082985	7-O-Demethylpeinamine 	C35H36N2O6	580.257336	NA	MeJP	NA	NA
+MJ082986	Chondocurine, 2'-N-De-Me 	C35H36N2O6	580.257336	NA	MeJP	NA	NA
+MJ082987	Curine, O6'-De-Me 	C35H36N2O6	580.257336	NA	MeJP	NA	NA
+MJ082988	Daphnoline 	C35H36N2O6	580.257336	NA	MeJP	NA	NA
+MJ082989	Thalrugosine; Di-N-De-Me 	C35H36N2O6	580.257336	NA	MeJP	NA	NA
+PJ006606	NERY 	C24H36N8O9	580.2605	NA	PeJP	NA	NA
+PJ006607	GGERY 	C24H36N8O9	580.2606	NA	PeJP	NA	NA
+PJ006608	SSTMR 	C21H40N8O9S	580.2639	NA	PeJP	NA	NA
+PJ006609	VNYW 	C29H36N6O7	580.2646	NA	PeJP	NA	NA
+MJ082990	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl(E-), 2,13-di-Ac 	C33H40O9	580.267232	NA	MeJP	NA	NA
+MJ082991	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 10,13-di-Ac 	C33H40O9	580.267232	NA	MeJP	NA	NA
+MJ082992	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 7,13-di-Ac 	C33H40O9	580.267232	NA	MeJP	NA	NA
+MJ082993	2,5,7,9,10-Pentahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,10-di-Ac 	C33H40O9	580.267232	NA	MeJP	NA	NA
+MJ082994	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 2,10-di-Ac 	C33H40O9	580.267232	NA	MeJP	NA	NA
+MJ082995	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 13-Ketone, 5-cinnamoyl, 2,9-di-Ac 	C33H40O9	580.267232	NA	MeJP	NA	NA
+PJ006610	APCKY 	C26H40N6O7S	580.2679	NA	PeJP	NA	NA
+PJ006611	GGGLMF 	C26H40N6O7S	580.268	NA	PeJP	NA	NA
+PJ006612	SSSSTL 	C22H40N6O12	580.2704	NA	PeJP	NA	NA
+PJ006613	ATKMM 	C23H44N6O7S2	580.2713	NA	PeJP	NA	NA
+PJ006614	GPDHR 	C23H36N10O8	580.2718	NA	PeJP	NA	NA
+MJ082996	Cholestane-3,4,21-triol, 3,21-Di-O-sulfate 	C27H48O9S2	580.273974	NA	MeJP	NA	NA
+PJ006615	GRYW 	C28H36N8O6	580.2758	NA	PeJP	NA	NA
+MJ082997	Pithomycolide; Valine analogue 	C32H40N2O8	580.278466	NA	MeJP	NA	NA
+PJ006616	QMFR 	C25H40N8O6S	580.2792	NA	PeJP	NA	NA
+MJ082998	14-Angeloyloxy-12-(cacalohastin-14-yl)cacalohastine 	C37H40O6	580.282489	NA	MeJP	NA	NA
+PJ006617	AAKEY 	C26H40N6O9	580.2857	NA	PeJP	NA	NA
+MJ082999	1,3,4,5,8,10,11-Heptahydroxy-7(14)-bisabolen-2-one; 1,4,8-Triangeloyl 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083000	3,5,14,19-Tetrahydroxybufa-20,22-dienolide, 3-O-?-Glucoside 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083001	6,13-Epoxy-7-eunicellene-2,3,4,9,12-pentol, Penta-Ac 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083002	6,13-Epoxy-8(19)-eunicellene-2,3,4,9,12-pentol, Penta-Ac 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083003	Antiarigenin; 3-O-(2-O-Methyl-?-D-fucopyranoside) 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083004	Antiarigenin; 3-O-(6-Deoxy-2-O-methyl-?-D-allopyranoside) 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083005	Antiarigenin; 3-O-(6-Deoxy-2-O-methyl-?-D-glucopyranoside) 	C30H44O11	580.288362	NA	MeJP	NA	NA
+MJ083006	Antiarigenin; 3-O-(6-Deoxy-2-O-methyl-?-D-gulopyranoside) 	C30H44O11	580.288362	NA	MeJP	NA	NA
+PJ006618	TTTKM 	C23H44N6O9S	580.2891	NA	PeJP	NA	NA
+PJ006619	CFRR 	C24H40N10O5S	580.2904	NA	PeJP	NA	NA
+PJ006620	DKRY 	C25H40N8O8	580.2969	NA	PeJP	NA	NA
+PJ006621	TKFW 	C30H40N6O6	580.301	NA	PeJP	NA	NA
+PJ006622	GVKMF 	C27H44N6O6S	580.3043	NA	PeJP	NA	NA
+MJ083007	Halitulin 	C35H40N4O4	580.304955	NA	MeJP	NA	NA
+PJ006623	SRRY 	C24H40N10O7	580.3082	NA	PeJP	NA	NA
+2862	NA	LVVYPWTQR	580.31	MH2+	Inhouse_peptide	NA	peptide
+3402	ACE inhibitor	LVVYPWTQR	580.31	MH2+	Inhouse_peptide	NA	peptide
+MJ083008	Hordatine B 	C29H40N8O5	580.312166	NA	MeJP	NA	NA
+C08308	Hordatine B	C29H40N8O5	580.3122	NA	KEGG	NA	NA
+PJ006624	KMFR 	C26H44N8O5S	580.3156	NA	PeJP	NA	NA
+PJ006625	GTLKY 	C27H44N6O8	580.3221	NA	PeJP	NA	NA
+MJ083009	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-glucopyranoside) 	C31H48O10	580.324747	NA	MeJP	NA	NA
+MJ083010	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-(2,3-Di-O-methyl-?-D-glucoside) 	C31H48O10	580.324747	NA	MeJP	NA	NA
+MJ083011	3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 8-(2-Methylbutanoyl), 7-(2-methylpropanoyl), 3-Ac 	C31H48O10	580.324747	NA	MeJP	NA	NA
+MJ083012	Strevertenes; Strevertene A 	C31H48O10	580.324747	NA	MeJP	NA	NA
+PJ006626	SPLKH 	C26H44N8O7	580.3333	NA	PeJP	NA	NA
+MJ083013	Antibiotic SB 291071; Homologue (R = -C13H25) 	C30H48N2O9	580.335981	NA	MeJP	NA	NA
+MJ083014	Bacillaene 	C35H48O7	580.340003	NA	MeJP	NA	NA
+MJ083015	Schweinfurthin A; 7''-Hydroxy, 6'',7''-dihydro, 5-Me ether 	C35H48O7	580.340003	NA	MeJP	NA	NA
+MJ083016	Manzamine A, 6-Hydroxy, 31?,34?-epoxide, 32,33-dihydro 	C36H44N4O3	580.341341	NA	MeJP	NA	NA
+MJ083017	Manzamine A, 8-Hydroxy, 31-oxo, 32,33-dihydro 	C36H44N4O3	580.341341	NA	MeJP	NA	NA
+PJ006627	GVLHR 	C25H44N10O6	580.3446	NA	PeJP	NA	NA
+C04265	alpha,alpha'-Trehalose 6-palmitate	C28H52O12	580.3459	NA	KEGG	NA	NA
+C04266	alpha-D-Glucosyllipopolysaccharide	C28H52O12	580.3459	NA	KEGG	NA	NA
+MJ083018	Oscillaginin A; Dechloro 	C29H48N4O8	580.347214	NA	MeJP	NA	NA
+MJ083019	FLRF amide 	C30H44N8O4	580.348551	NA	MeJP	NA	NA
+PJ006628	LHRR 	C24H44N12O5	580.3558	NA	PeJP	NA	NA
+PJ006629	AAPPLL 	C28H48N6O7	580.3585	NA	PeJP	NA	NA
+C08893	Convallasaponin A	C32H52O9	580.3611	NA	KEGG	NA	NA
+C08916	Tokoronin	C32H52O9	580.3611	NA	KEGG	NA	NA
+MJ083020	Fusicoccin D; 19-Deoxy 	C32H52O9	580.361133	NA	MeJP	NA	NA
+MJ083021	Spirostane-1,2,3-triol, 1-O-?-L-Arabinopyranoside 	C32H52O9	580.361133	NA	MeJP	NA	NA
+MJ083022	Spirostane-1,3,5-triol, 3-O-?-L-Arabinoside 	C32H52O9	580.361133	NA	MeJP	NA	NA
+MJ083023	Spirostane-2,3,11-triol, 11-O-?-L-Arabinopyranoside 	C32H52O9	580.361133	NA	MeJP	NA	NA
+PJ006630	PPVLR 	C27H48N8O6	580.3697	NA	PeJP	NA	NA
+MJ083024	2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-ol; O-D-Glucopyranoside 	C36H52O6	580.376389	NA	MeJP	NA	NA
+MJ083025	Deacylantibiotic NF 00659 A; 12-Deoxy, 3-(6-methyl-2,4-octadienoyl)(E,E) 	C36H52O6	580.376389	NA	MeJP	NA	NA
+MJ083026	Homoegonol; Hexadecanoyl 	C36H52O6	580.376389	NA	MeJP	NA	NA
+MJ083027	Hugonone A 	C36H52O6	580.376389	NA	MeJP	NA	NA
+C15967	Phoenicoxanthin	C40H52O3	580.3916	NA	KEGG	NA	NA
+MJ083028	2,3-Didehydro-3,3'-dihydroxy-?,?-caroten-4-one 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083029	4'-Hydroxy-3-oxoechinenone 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083030	7,7',8,8'-Tetradehydro-?,?-carotene-3,3',4-triol 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083031	?-Cryptoeutreptiellanone 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083032	?-Doradecin 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083033	Adonirubin 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083034	Isozeaxanthin; Diketone, 2-hydroxy 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083035	Loniceraxanthin 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083036	Pectenol; 4-Ketone 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083037	Trikentriorhodin 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083038	?-Doradexanthin; 3'-Ketone 	C40H52O3	580.391645	NA	MeJP	NA	NA
+MJ083039	Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro-16-O-?-L-rhamnopyranoside 	C33H56O8	580.397518	NA	MeJP	NA	NA
+MJ083040	Stigmast-5-ene-3,7-diol, 3-O-(4-Hydroxy-3-methoxybenzoyl) 	C37H56O5	580.412774	NA	MeJP	NA	NA
+MJ083041	Dagapamil 	C36H56N2O4	580.424008	NA	MeJP	NA	NA
+MJ083042	Rhodopinol; 3,4-Didehydro, 20-aldehyde, 1-Me ether 	C41H56O2	580.428031	NA	MeJP	NA	NA
+MJ083043	Sorangiolide A 	C34H60O7	580.433904	NA	MeJP	NA	NA
+MJ083044	Annoreticuin; 4-Deoxy 	C35H64O6	580.470289	NA	MeJP	NA	NA
+MJ083045	Giganin 	C35H64O6	580.470289	NA	MeJP	NA	NA
+MJ083046	Gigantetrocin A; 4-Deoxy 	C35H64O6	580.470289	NA	MeJP	NA	NA
+MJ083047	Goniothalamicin; 4-Deoxy 	C35H64O6	580.470289	NA	MeJP	NA	NA
+MJ083048	Murisolin 	C35H64O6	580.470289	NA	MeJP	NA	NA
+MJ083049	onacin; 4-Deoxy 	C35H64O6	580.470289	NA	MeJP	NA	NA
+C08488	Giganin	C35H64O6	580.4703	NA	KEGG	NA	NA
+MJ083050	Hexahydro-4,7-dimethyl-3-(stigmast-5-en-3-yloxy)-cyclopenta[c]pyran-1(3H)-one 	C39H64O3	580.485545	NA	MeJP	NA	NA
+HMDB07072	DG(15:0/18:1(11Z)/0:0)	C36H68O5	580.506653	NA	HMDB2010	NA	NA
+HMDB07073	DG(15:0/18:1(9Z)/0:0)	C36H68O5	580.506653	NA	HMDB2010	NA	NA
+HMDB07184	DG(18:1(11Z)/15:0/0:0)	C36H68O5	580.506653	NA	HMDB2010	NA	NA
+HMDB07213	DG(18:1(9Z)/15:0/0:0)	C36H68O5	580.506653	NA	HMDB2010	NA	NA
+MJ083051	12-Oleanen-3-ol, O-Decanoyl 	C40H68O2	580.521931	NA	MeJP	NA	NA
+MJ083052	2-Phyten-1-ol, 5,8,11,14,17-Eicosapentaenoyl(all-Z) 	C40H68O2	580.521931	NA	MeJP	NA	NA
+C13862	1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol	C37H72O4	580.5431	NA	KEGG	NA	NA
+3605	heparin-binding peptide	APRKNVAWCT	580.77895	MH2+	Inhouse_peptide	NA	peptide
+3226	bradykinin derivative	KRPAGFSPFR	580.813	MH2+	Inhouse_peptide	NA	peptide
+MJ083053	Nakamuric acid 	C20H21Br2N7O4	581.002177	NA	MeJP	NA	NA
+MetaCyc03908	watasenia luciferin []	C26H19N3O9S2	581.056271	NA	metacyc	NA	NA
+MJ083054	Lamellarin H; 5,6-Dihydro, 8,13,21-tri-Me ether, 20-sulfate 	C28H23NO11S	581.099181	NA	MeJP	NA	NA
+MJ083055	Lamellarin H; 5,6-Dihydro, 9,13,20-tri-Me ether, 8-sulfate 	C28H23NO11S	581.099181	NA	MeJP	NA	NA
+MJ083056	Lamellarin H; 5,6-Dihydro, 9,13,21-tri-Me ether, 20-sulfate 	C28H23NO11S	581.099181	NA	MeJP	NA	NA
+MJ083057	Technetium teboroxime 	C19H29BClN6O6Tc	581.100231	NA	MeJP	NA	NA
+PJ006631	CDDDD 	C19H27N5O14S	581.1276	NA	PeJP	NA	NA
+FL7AACGA0002	Cyanidin 3-lathyroside	C26H29O15	581.15064	31073-32-2	knapsack	NA	NA
+FL7AACGL0005	Sambicyanin;Cyanidin 3-xyloglucoside;Cyanidine 3-sambubioside	C26H29O15	581.15064	33012-73-6	knapsack	NA	NA
+FL7AACGS0005	Cyanidin 3-arabinoside-5-glucoside	C26H29O15	581.15064	-	knapsack	NA	NA
+PJ006632	CCNNE 	C19H31N7O10S2	581.1574	NA	PeJP	NA	NA
+PJ006633	SDDDM 	C20H31N5O13S	581.1639	NA	PeJP	NA	NA
+PJ006634	PCCEM 	C21H35N5O8S3	581.1648	NA	PeJP	NA	NA
+PJ006635	GCCNW 	C23H31N7O7S2	581.1727	NA	PeJP	NA	NA
+PJ006636	GSSCND 	C19H31N7O12S	581.1752	NA	PeJP	NA	NA
+PJ006637	GDEMM 	C21H35N5O10S2	581.1826	NA	PeJP	NA	NA
+MJ083058	Amidepsine B; 2,2'-Di-Me ether 	C30H31NO11	581.18971	NA	MeJP	NA	NA
+MJ083059	Amidepsine C 	C30H31NO11	581.18971	NA	MeJP	NA	NA
+MJ083060	Simmondsin; Di-O-de-Me, 2-O-E-cinnamoyl, 4-O-benzoyl 	C30H31NO11	581.18971	NA	MeJP	NA	NA
+MJ083061	Simmondsin; Di-O-de-Me, 3-O-E-cinnamoyl, 4-O-benzoyl 	C30H31NO11	581.18971	NA	MeJP	NA	NA
+PJ006638	SCNQM 	C20H35N7O9S2	581.1938	NA	PeJP	NA	NA
+C15631	GW 3965	C33H31ClF3NO3	581.1945	NA	KEGG	NA	NA
+PJ006639	GDDEF 	C24H31N5O12	581.1969	NA	PeJP	NA	NA
+PJ006640	ADDDF 	C24H31N5O12	581.197	NA	PeJP	NA	NA
+PJ006641	DMMW 	C25H35N5O7S2	581.1978	NA	PeJP	NA	NA
+PJ006642	SSEEM 	C21H35N5O12S	581.2003	NA	PeJP	NA	NA
+PJ006643	PTCMM 	C22H39N5O7S3	581.2012	NA	PeJP	NA	NA
+PJ006644	GCEHH 	C22H31N9O8S	581.2017	NA	PeJP	NA	NA
+PJ006645	SCCNR 	C19H35N9O8S2	581.205	NA	PeJP	NA	NA
+PJ006646	GNNDY 	C23H31N7O11	581.2082	NA	PeJP	NA	NA
+PJ006647	GSSSNM 	C20H35N7O11S	581.2115	NA	PeJP	NA	NA
+PJ006648	GGGSSSM 	C20H35N7O11S	581.2116	NA	PeJP	NA	NA
+PJ006649	DDFW 	C28H31N5O9	581.2122	NA	PeJP	NA	NA
+PJ006650	GPDMY 	C25H35N5O9S	581.2156	NA	PeJP	NA	NA
+PJ006651	CHHW 	C26H31N9O5S	581.2169	NA	PeJP	NA	NA
+PJ006652	ATEMM 	C22H39N5O9S2	581.2189	NA	PeJP	NA	NA
+PJ006653	SSDHH 	C22H31N9O10	581.2194	NA	PeJP	NA	NA
+MJ083062	8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol, O10-?-Glucopyranoside 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083063	8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol; 8?-form, O10-?-Glucopyranoside 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083064	8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol, O9-?-Glucopyranoside 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083065	8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol; 8?-form, O10-?-Glucopyranoside 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083066	8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol; 8?-form, O4'-?-Glucopyranoside 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083067	8-(4-Hydroxybenzyl)-3-methoxy-2,9,10-berbintriol; 9-Deoxy, 11-hydroxy, O10-?-glucopyranoside 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083068	Pyridomacrolidin 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+MJ083069	Ravidomycin; 1'',2''-Dihydro, 1''-hydroxy 	C31H35NO10	581.226096	NA	MeJP	NA	NA
+PJ006654	GNNMF 	C24H35N7O8S	581.2268	NA	PeJP	NA	NA
+PJ006655	SSSSSQ 	C20H35N7O13	581.2293	NA	PeJP	NA	NA
+PJ006656	SCNKM 	C21H39N7O8S2	581.2302	NA	PeJP	NA	NA
+PJ006657	AAEEY 	C25H35N5O11	581.2333	NA	PeJP	NA	NA
+PJ006658	GPMMF 	C26H39N5O6S2	581.2342	NA	PeJP	NA	NA
+PJ006659	TTTEM 	C22H39N5O11S	581.2367	NA	PeJP	NA	NA
+PJ006660	GLMMM 	C23H43N5O6S3	581.2376	NA	PeJP	NA	NA
+PJ006661	GTMHH 	C23H35N9O7S	581.238	NA	PeJP	NA	NA
+PJ006662	DERY 	C24H35N7O10	581.2446	NA	PeJP	NA	NA
+PJ006663	GSSTCK 	C21H39N7O10S	581.2479	NA	PeJP	NA	NA
+PJ006664	VDYW 	C29H35N5O8	581.2486	NA	PeJP	NA	NA
+PJ006665	APTMY 	C26H39N5O8S	581.252	NA	PeJP	NA	NA
+PJ006666	STLMM 	C23H43N5O8S2	581.2553	NA	PeJP	NA	NA
+PJ006667	STTHH 	C23H35N9O9	581.2558	NA	PeJP	NA	NA
+MJ083070	Trideacetylpyripyropene A; 11-Deoxy, 7-propanoyl, 3,19-di-Ac 	C32H39NO9	581.262481	NA	MeJP	NA	NA
+PJ006668	EMFR 	C25H39N7O7S	581.2632	NA	PeJP	NA	NA
+C07544	Ergotamine	C33H35N5O5	581.2638	NA	KEGG	NA	NA
+MJ083071	Ergotamine 	C33H35N5O5	581.263819	NA	MeJP	NA	NA
+MJ083072	Streptomycin 	C21H39N7O12	581.265669	NA	MeJP	NA	NA
+MetaCyc03909	streptomycin []	C21H39N7O12	581.26567	57-92-1	metacyc	NA	NA
+C00413	Streptomycin	C21H39N7O12	581.2657	NA	KEGG	NA	NA
+PJ006669	SSSSSK 	C21H39N7O12	581.2657	NA	PeJP	NA	NA
+PJ006670	TCCKK 	C22H43N7O7S2	581.2666	NA	PeJP	NA	NA
+PJ006671	VMFW 	C30H39N5O5S	581.2672	NA	PeJP	NA	NA
+PJ006672	GTLEY 	C26H39N5O10	581.2697	NA	PeJP	NA	NA
+PJ006673	AAHHF 	C27H35N9O6	581.2711	NA	PeJP	NA	NA
+PJ006674	GSQKY 	C25H39N7O9	581.2809	NA	PeJP	NA	NA
+PJ006675	GGGTKY 	C25H39N7O9	581.281	NA	PeJP	NA	NA
+PJ006676	TLYW 	C30H39N5O7	581.285	NA	PeJP	NA	NA
+PJ006677	GVLMY 	C27H43N5O7S	581.2883	NA	PeJP	NA	NA
+C02856	N3'-Acetylapramycin	C23H43N5O12	581.2908	NA	KEGG	NA	NA
+C02857	N3'-Acetylkanamycin	C20H35N3O11R2	581.2908	NA	KEGG	NA	NA
+C02858	N5-Acyl-L-ornithine	C6H11N2O3R	581.2908	NA	KEGG	NA	NA
+C02860	N6-Alkylaminopurine	C5H4N5R	581.2908	NA	KEGG	NA	NA
+PJ006678	SPNKH 	C24H39N9O8	581.2922	NA	PeJP	NA	NA
+PJ006679	PFRY 	C29H39N7O6	581.2962	NA	PeJP	NA	NA
+PJ006680	LMRY 	C26H43N7O6S	581.2996	NA	PeJP	NA	NA
+PJ006681	AAQHR 	C23H39N11O7	581.3034	NA	PeJP	NA	NA
+PJ006682	SSLLY 	C27H43N5O9	581.3061	NA	PeJP	NA	NA
+PJ006683	NHRR 	C22H39N13O6	581.3147	NA	PeJP	NA	NA
+PJ006684	GSKKY 	C26H43N7O8	581.3173	NA	PeJP	NA	NA
+PJ006685	GGAAPPL 	C26H43N7O8	581.3174	NA	PeJP	NA	NA
+PJ006686	GVLFF 	C31H43N5O6	581.3214	NA	PeJP	NA	NA
+PJ006687	PPVNR 	C25H43N9O7	581.3286	NA	PeJP	NA	NA
+PJ006688	LFFR 	C30H43N7O5	581.3326	NA	PeJP	NA	NA
+PJ006689	GPPRR 	C24H43N11O6	581.3398	NA	PeJP	NA	NA
+PJ006690	SLLLH 	C27H47N7O7	581.3537	NA	PeJP	NA	NA
+MJ083073	Repromicin; 23-Hydroxy 	C31H51NO9	581.356382	NA	MeJP	NA	NA
+MJ083074	Rosamicin 	C31H51NO9	581.356382	NA	MeJP	NA	NA
+MJ083075	Tylonolide; 23-Deoxy, 5-O-(3,6-dideoxy-3-dimethylamino-?-D-glucopyranoside) 	C31H51NO9	581.356382	NA	MeJP	NA	NA
+MJ083076	tert-Butyl [1-[[1-methyl-2-phenyl-1-[(7-ureidoheptyl)carbamoyl]ethyl]carbamoyl]-2-phenylethyl]carbamate 	C32H47N5O5	581.357719	NA	MeJP	NA	NA
+PJ006691	GLKKH 	C26H47N9O6	581.365	NA	PeJP	NA	NA
+EUR897	Lyso PE 22:1 [M+FA-H]-	C27H54NO7P	581.368672	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR897	Lyso PE 22:1 [M+FA-H]-	C27H54NO7P	581.368672	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR897	Lyso PE 22:1 [M+FA-H]-	C27H54NO7P	581.368672	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR897	Lyso PE 22:1 [M+FA-H]-	C27H54NO7P	581.368672	masses lipides attendues	Inhousejuil11	NA	NA
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR530	18 :1 Lyso PC F5	NA	581.369225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR530	18 :1 Lyso PC F5	NA	581.369225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR530	18 :1 Lyso PC F5	NA	581.369225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR530	18 :1 Lyso PC F5	NA	581.369225	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR530	18 :1 Lyso PC F5	F5	581.369225	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR668	Lyso PC 18:1 [M-H+acetate]-	C26H52NO7P	581.369242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR668	Lyso PC 18:1 [M-H+acetate]-	C26H52NO7P	581.369242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR668	Lyso PC 18:1 [M-H+acetate]-	C26H52NO7P	581.369242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR668	Lyso PC 18:1 [M-H+acetate]-	C26H52NO7P	581.369242	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006692	PPLKK 	C28H51N7O6	581.3901	NA	PeJP	NA	NA
+MJ083077	Myxovirescin G1; 4-Demethyl, 7-oxo 	C32H55NO8	581.392767	NA	MeJP	NA	NA
+MJ083078	Heinsiagenin A; 18-Hydroxy 	C36H55NO5	581.408023	NA	MeJP	NA	NA
+MJ083079	Myxovirescin G1 	C33H59NO7	581.429153	NA	MeJP	NA	NA
+MJ083080	Symbioramide 	C36H71NO4	581.538309	NA	MeJP	NA	NA
+C12040	Telomestatin	C26H14N8O7S	582.0706	NA	KEGG	NA	NA
+MJ083081	Telomestatin 	C26H14N8O7S	582.070615	NA	MeJP	NA	NA
+MJ083082	Amentoflavone; 5'''-Methoxy, 4'''-Me ether 	C32H22O11	582.116211	NA	MeJP	NA	NA
+MJ083083	Floribundone 2; 10-Oxo, 1'''-hydroxy, atropisomer 	C32H22O11	582.116211	NA	MeJP	NA	NA
+MJ083084	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Xylosyl-(1??)-xyloside] 	C25H26O16	582.122084	NA	MeJP	NA	NA
+MJ083085	6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, 1-Chloro, hexa-Ac 	C23H31ClO15	582.135148	NA	MeJP	NA	NA
+FL3FAACS0064	2''-O-Vanilloylvitexin	C29H26O13	582.13734	861691-31-8	knapsack	NA	NA
+FL3FACCS0060	Perfoliatumin B;Isoorientin 6''-O-p-methoxybenzoate	C29H26O13	582.13734	325772-32-5	knapsack	NA	NA
+PJ006693	CCNDE 	C19H30N6O11S2	582.1414	NA	PeJP	NA	NA
+MJ083086	Amentoflavone; 2'',3''-Dihydro, 4',4''',7''-tri-Me ether 	C33H26O10	582.152597	NA	MeJP	NA	NA
+MJ083087	Austroviridin A 	C33H26O10	582.152597	NA	MeJP	NA	NA
+MJ083088	Carbonarin A 	C33H26O10	582.152597	NA	MeJP	NA	NA
+MJ083089	Carbonarin B 	C33H26O10	582.152597	NA	MeJP	NA	NA
+MJ083090	Robustaflavone; 2R,3-Dihydro, 4''',7,7''-tri-Me ether 	C33H26O10	582.152597	NA	MeJP	NA	NA
+MJ083091	Santalin A 	C33H26O10	582.152597	NA	MeJP	NA	NA
+PJ006694	GCCDW 	C23H30N6O8S2	582.1567	NA	PeJP	NA	NA
+MJ083092	1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083093	1,2,6,8-Tetrahydroxyxanthone; 1,6-Di-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083094	1,2,6,8-Tetrahydroxyxanthone; 2,6-Di-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083095	1,2,6,8-Tetrahydroxyxanthone; 2,8-Di-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083096	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083097	1,3,4,7-Tetrahydroxyxanthone; 4,7-Di-Me ether, 3-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083098	10-Hydroxyoleoside, 10-(3,4-Dihydroxycinnamoyl)(E-), 7-Me ester 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083099	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083100	3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083101	3,4',5,7-Tetrahydroxyflavanone, 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-xylopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+MJ083102	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O15	582.15847	NA	MeJP	NA	NA
+FL1C3CGS0011	Okanin 4'-alpha-L-arabinofuranosyl-(1->4)-glucoside	C26H30O15	582.15847	77587-43-0	knapsack	NA	NA
+FL2FACGS0016	5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside	C26H30O15	582.15847	340816-09-3	knapsack	NA	NA
+C11655	Asperuloside tetraacetate	C26H30O15	582.1585	NA	KEGG	NA	NA
+PJ006695	GSSCDD 	C19H30N6O13S	582.1592	NA	PeJP	NA	NA
+PJ006696	GPTCCC 	C20H34N6O8S3	582.1601	NA	PeJP	NA	NA
+MJ083103	Antibiotic B 90063 	C28H30N4O6S2	582.160676	NA	MeJP	NA	NA
+FL63ACGS0003	Epicatechin 3-O-(2-trans-cinnamoyl-beta-D-allopyranoside)	C30H30O12	582.17372	98752-08-0	knapsack	NA	NA
+FL63ACGS0004	Epicatechin 3-O-(3-trans-cinnamoyl-beta-D-allopyranoside)	C30H30O12	582.17372	98752-09-1	knapsack	NA	NA
+MJ083104	3,3',4',5,7-Pentahydroxyflavan, 3-O-[2-O-E-Cinnamoyl-?-D-allopyranoside] 	C30H30O12	582.173726	NA	MeJP	NA	NA
+MJ083105	3,3',4',5,7-Pentahydroxyflavan, 3-O-[3-O-E-Cinnamoyl-?-D-allopyranoside] 	C30H30O12	582.173726	NA	MeJP	NA	NA
+PJ006697	SCNEM 	C20H34N6O10S2	582.1778	NA	PeJP	NA	NA
+MJ083106	15-Bromo-9(11)-parguerene-2,7,16,19-tetrol, Tetra-Ac 	C28H39BrO8	582.18283	NA	MeJP	NA	NA
+MJ083107	Microcyclamide 	C26H30N8O4S2	582.183142	NA	MeJP	NA	NA
+MJ083108	6-Chloro-4,8-epoxy-2,3,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; Tetra-Ac 	C28H35ClO11	582.186789	NA	MeJP	NA	NA
+MJ083109	AH15 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083110	Alopecurone F 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083111	Crinemodin bianthrone; 1''-Hydroxy 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083112	Kuwanon P 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083113	Kuwanon X 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083114	Kuwanon Y 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083115	Semecarpetin 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083116	Sophoraflavanone H 	C34H30O9	582.188982	NA	MeJP	NA	NA
+MJ083117	Trianguletin; 4'-Demethoxy, 3-Me ether 	C34H30O9	582.188982	NA	MeJP	NA	NA
+PJ006698	SCCDR 	C19H34N8O9S2	582.189	NA	PeJP	NA	NA
+MJ083118	Ozemycin B 	C23H30N6O12	582.19217	NA	MeJP	NA	NA
+PJ006699	GNDDY 	C23H30N6O12	582.1922	NA	PeJP	NA	NA
+PJ006700	GSCMW 	C24H34N6O7S2	582.1931	NA	PeJP	NA	NA
+MJ083119	1-(3,4-Dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethylene, 3'-Me ether, 3'',4'-di-O-?-D-glucopyranoside 	C27H34O14	582.194855	NA	MeJP	NA	NA
+MJ083120	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C27H34O14	582.194855	NA	MeJP	NA	NA
+MJ083121	Lamiide; 7-(4-Methoxycinnamoyl)(E-) 	C27H34O14	582.194855	NA	MeJP	NA	NA
+MJ083122	Lamiide; 7-(4-Methoxycinnamoyl)(Z-) 	C27H34O14	582.194855	NA	MeJP	NA	NA
+MJ083123	Oleuropein; 10-Acetoxy, 3''-deoxy 	C27H34O14	582.194855	NA	MeJP	NA	NA
+MetaCyc03910	naringin dihydrochalcone []	C27H34O14	582.194856	NA	metacyc	NA	NA
+PJ006701	GSSSDM 	C20H34N6O12S	582.1956	NA	PeJP	NA	NA
+PJ006702	GNMMM 	C21H38N6O7S3	582.1964	NA	PeJP	NA	NA
+MJ083124	Histidinomycin 	C22H30N8O11	582.203403	NA	MeJP	NA	NA
+MJ083125	3,3'-Bi[7,8-dihydro-9-phenyl-9H-phenalene-1,2,6-triol] 	C38H30O6	582.204238	NA	MeJP	NA	NA
+MJ083126	Phenylmethyl N-[2-[[[2-amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]phenylalaninate 	C31H38N2O3S3	582.204455	NA	MeJP	NA	NA
+C08046	Kanamycin sulfate	C18H36N4O11	582.2054	NA	KEGG	NA	NA
+C08047	Transferred to D00867	C18H36N4O11	582.2054	NA	KEGG	NA	NA
+C08048	Transferred to D00868	C18H36N4O11	582.2054	NA	KEGG	NA	NA
+C08049	Transferred to D00869	C18H36N4O11	582.2054	NA	KEGG	NA	NA
+PJ006703	ACCMR 	C20H38N8O6S3	582.2077	NA	PeJP	NA	NA
+MJ083127	Auriculatin; 4'-O-?-D-Glucopyranoside 	C31H34O11	582.210111	NA	MeJP	NA	NA
+MJ083128	Buddlenol B; 9-Aldehyde 	C31H34O11	582.210111	NA	MeJP	NA	NA
+PJ006704	SSTCW 	C24H34N6O9S	582.2108	NA	PeJP	NA	NA
+PJ006705	SSSSSE 	C20H34N6O14	582.2133	NA	PeJP	NA	NA
+PJ006706	SSQMM 	C21H38N6O9S2	582.2142	NA	PeJP	NA	NA
+FL1CBANC0002	Calyxin B	C35H34O8	582.22536	164991-53-1	knapsack	NA	NA
+FL2FBANC0001	Calyxin C;2,3-Dihydro-7-hydroxy-8-[(1S,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C35H34O8	582.22536	193816-82-9	knapsack	NA	NA
+FL2FBANC0002	Calyxin D;2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one	C35H34O8	582.22536	193816-86-3	knapsack	NA	NA
+FL2FBANC0003	Calyxin G	C35H34O8	582.22536	205313-10-6	knapsack	NA	NA
+FL2FBANC0005	Calyxin K	C35H34O8	582.22536	332877-78-8	knapsack	NA	NA
+FL2FBANC0006	Calyxin M	C35H34O8	582.22536	332877-84-6	knapsack	NA	NA
+FL2FBANC0007	Epicalyxin C	C35H34O8	582.22536	193816-85-2	knapsack	NA	NA
+FL2FBANC0008	Epicalyxin D	C35H34O8	582.22536	193816-93-2	knapsack	NA	NA
+FL2FBANC0009	Epicalyxin G	C35H34O8	582.22536	205313-11-7	knapsack	NA	NA
+FL2FBANC0011	Epicalyxin K	C35H34O8	582.22536	332877-79-9	knapsack	NA	NA
+FL2FBANC0012	Epicalyxin M	C35H34O8	582.22536	332396-26-6	knapsack	NA	NA
+MJ083129	Calyxin B 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083130	Calyxin C 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083131	Calyxin E 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083132	Calyxin F 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083133	Calyxin G 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083134	Calyxin L 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083135	Calyxin M 	C35H34O8	582.225368	NA	MeJP	NA	NA
+MJ083136	Deoxycalyxin A 	C35H34O8	582.225368	NA	MeJP	NA	NA
+PJ006707	SSCMR 	C20H38N8O8S2	582.2254	NA	PeJP	NA	NA
+PJ006708	CQFW 	C28H34N6O6S	582.2261	NA	PeJP	NA	NA
+PJ006709	GSQEY 	C24H34N6O11	582.2286	NA	PeJP	NA	NA
+MJ083137	2,3,8,9,11,12,17-Heptahydroxy-5,13-briaradien-18,7-olide, 2,3,9,12-Tetra-Ac 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083138	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083139	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083140	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083141	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083142	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083143	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4'-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083144	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-?-D-glucopyranoside 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083145	6,15-Dihydroxy-3,13-clerodadiene-16,15:17,12-diolid-18-oic acid, 15-Me ether, 6-O-?-D-glucopyranoside, Me ester 	C28H38O13	582.231241	NA	MeJP	NA	NA
+MJ083146	8,17-Epoxy-2,3,9,12,13,14-hexahydroxy-5-briaren-18,7-olide, 2,3,9,14-Tetra-Ac 	C28H38O13	582.231241	NA	MeJP	NA	NA
+PJ006710	GSSTTM 	C21H38N6O11S	582.2319	NA	PeJP	NA	NA
+PJ006711	ACKMM 	C22H42N6O6S3	582.2328	NA	PeJP	NA	NA
+MJ083147	[[3-[4-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]carbamic acid; Butyl ester 	C30H38N4O4S2	582.233447	NA	MeJP	NA	NA
+PJ006712	SPNEH 	C23H34N8O10	582.2398	NA	PeJP	NA	NA
+PJ006713	SQYW 	C28H34N6O8	582.2438	NA	PeJP	NA	NA
+MJ083148	Cardinalin 11; 4a-Deoxy 	C32H38O10	582.246497	NA	MeJP	NA	NA
+PJ006714	AAQMY 	C25H38N6O8S	582.2472	NA	PeJP	NA	NA
+HMDB01008	Biliverdin	C33H34N4O6	582.2478	http://www.hmdb.ca/metabolites/HMDB01008	HMDB	NA	NA
+C00500	Biliverdin	C33H34N4O6	582.2478	NA	KEGG	NA	NA
+HMDB01008	Biliverdin	C33H34N4O6	582.2478	HMDB01008	PFEM_hmdb_metabocards_official	NA	NA
+MJ083149	Biliverdin 	C33H34N4O6	582.247834	NA	MeJP	NA	NA
+MJ083150	Azelnidipine 	C33H34N4O6	582.247834	NA	MeJP	NA	NA
+MJ083151	Biliverdin 	C33H34N4O6	582.247834	NA	MeJP	NA	NA
+MJ083152	Okaramine B; 12-Hydroxy 	C33H34N4O6	582.247834	NA	MeJP	NA	NA
+MetaCyc03911	bilirubin []	C33H34N4O6	582.247835	NA	metacyc	NA	NA
+MetaCyc03912	(3Z)-phytochromobilin []	C33H34N4O6	582.247835	NA	metacyc	NA	NA
+MetaCyc03913	15,16-dihydrobiliverdin []	C33H34N4O6	582.247835	NA	metacyc	NA	NA
+HMDB01008	Biliverdin	C33H34N4O6	582.247864	NA	HMDB2010	NA	NA
+PJ006715	SSSTTT 	C21H38N6O13	582.2497	NA	PeJP	NA	NA
+PJ006716	SSKMM 	C22H42N6O8S2	582.2506	NA	PeJP	NA	NA
+PJ006717	GNQQH 	C22H34N10O9	582.251	NA	PeJP	NA	NA
+PJ006718	GGGQQH 	C22H34N10O9	582.2511	NA	PeJP	NA	NA
+PJ006719	GSPHW 	C27H34N8O7	582.2551	NA	PeJP	NA	NA
+PJ006720	NMRY 	C24H38N8O7S	582.2584	NA	PeJP	NA	NA
+PJ006721	GAAPMH 	C24H38N8O7S	582.2585	NA	PeJP	NA	NA
+PJ006722	CKFW 	C29H38N6O5S	582.2625	NA	PeJP	NA	NA
+PJ006723	GSKEY 	C25H38N6O10	582.265	NA	PeJP	NA	NA
+MJ083153	Sarmentosigenin A acid; 3-O-?-L-Rhamnoside 	C29H42O12	582.267626	NA	MeJP	NA	NA
+MJ083154	Sarmentosigenin A acid; 3-O-?-L-Talomethyloside 	C29H42O12	582.267626	NA	MeJP	NA	NA
+MJ083155	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-4-O-acetyl-?-D-fucopyranoside] 	C29H42O12	582.267626	NA	MeJP	NA	NA
+PJ006724	APCHR 	C23H38N10O6S	582.2697	NA	PeJP	NA	NA
+MJ083156	27-Norcholestane-3,4,5,6,7,8,14,15,24-nonol, 6-Sulfate 	C26H46O12S	582.270997	NA	MeJP	NA	NA
+MJ083157	Proticin 	C31H44NaO7P	582.272234	NA	MeJP	NA	NA
+MJ083158	Berbamunine, N-De-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083159	Lindoldhamine; N2'-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083160	Lindoldhamine; N2-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083161	Lindoldhamine; O12-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083162	Lindoldhamine; O7'-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083163	Lindoldhamine; O7-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083164	Thalibrine; N2',O7,O12-Tri-de-Me 	C35H38N2O6	582.272986	NA	MeJP	NA	NA
+MJ083165	2'-Norberbamunine 	C35H38N2O6	582.272987	NA	MeJP	NA	NA
+C06512	2'-Norberbamunine	C35H38N2O6	582.273	NA	KEGG	NA	NA
+PJ006725	GSTRY 	C24H38N8O9	582.2762	NA	PeJP	NA	NA
+PJ006726	SKYW 	C29H38N6O7	582.2802	NA	PeJP	NA	NA
+MJ083166	11,16:15,16-Diepoxy-1,6,7-trihydroxy-18-clerodanal, 6-Cinnamoyl(E-), 1,7-di-Ac 	C33H42O9	582.282882	NA	MeJP	NA	NA
+MJ083167	11,16:15,16-Diepoxy-1,6,7-trihydroxy-18-clerodanal, 6-Cinnamoyl(Z-), 1,7-di-Ac 	C33H42O9	582.282882	NA	MeJP	NA	NA
+MJ083168	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3-Benzoyl, 7,14,15-tri-Ac 	C33H42O9	582.282882	NA	MeJP	NA	NA
+MJ083169	4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 5-cinnamoyl, 2,13-di-Ac 	C33H42O9	582.282882	NA	MeJP	NA	NA
+MJ083170	Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 1-Ac 	C33H42O9	582.282882	NA	MeJP	NA	NA
+MJ083171	Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 3-Ac 	C33H42O9	582.282882	NA	MeJP	NA	NA
+PJ006727	AAKMY 	C26H42N6O7S	582.2836	NA	PeJP	NA	NA
+C09999	Aralionine A	C34H38N4O5	582.2842	NA	KEGG	NA	NA
+MJ083172	Aralionine A 	C34H38N4O5	582.28422	NA	MeJP	NA	NA
+PJ006728	AAEHR 	C23H38N10O8	582.2874	NA	PeJP	NA	NA
+PJ006729	GGGGAKH 	C23H38N10O8	582.2875	NA	PeJP	NA	NA
+PJ006730	LQHW 	C28H38N8O6	582.2914	NA	PeJP	NA	NA
+PJ006731	GALHW 	C28H38N8O6	582.2915	NA	PeJP	NA	NA
+PJ006732	APKMH 	C25H42N8O6S	582.2948	NA	PeJP	NA	NA
+PJ006733	DHRR 	C22H38N12O7	582.2987	NA	PeJP	NA	NA
+MJ083173	Caracurine II 	C38H38N4O2	582.299476	NA	MeJP	NA	NA
+MJ083174	Strychnochrysine 	C38H39N4O2(+)	582.299476	NA	MeJP	NA	NA
+PJ006734	ATTKY 	C26H42N6O9	582.3013	NA	PeJP	NA	NA
+PJ006735	PPLQE 	C26H42N6O9	582.3014	NA	PeJP	NA	NA
+MJ083175	14-Labdene-3,6,8,12,13,20-hexol, 3,6,8,12,20-Penta-Ac 	C30H46O11	582.304012	NA	MeJP	NA	NA
+MJ083176	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 14,15-Dihydro, 15-ethoxy, 3-(2-methylpropanoyl), 6,19-di-Ac 	C30H46O11	582.304012	NA	MeJP	NA	NA
+MJ083177	4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 15-Me ether, 3-(2-methylbutanoyl), 6,19-di-Ac 	C30H46O11	582.304012	NA	MeJP	NA	NA
+PJ006736	PPVDR 	C25H42N8O8	582.3126	NA	PeJP	NA	NA
+PJ006737	APPLW 	C30H42N6O6	582.3166	NA	PeJP	NA	NA
+C11978	5-Oxoavermectin ''1a'' aglycone	C34H46O8	582.3193	NA	KEGG	NA	NA
+PJ006738	GTLHR 	C24H42N10O7	582.3238	NA	PeJP	NA	NA
+PJ006739	LKHW 	C29H42N8O5	582.3278	NA	PeJP	NA	NA
+MJ083178	Acobretine A 	C33H46N2O7	582.330501	NA	MeJP	NA	NA
+MJ083179	Talatizamine; O18-De-Me, O14-Me, 18-O-(2-acetamidobenzoyl) 	C33H46N2O7	582.330501	NA	MeJP	NA	NA
+PJ006740	PPLKE 	C27H46N6O8	582.3377	NA	PeJP	NA	NA
+MJ083180	7-Labdene-2,3,15-triol, 15-Carboxylic acid, 3-angeloyl, 2-O-?-D-glucopyranoside 	C31H50O10	582.340397	NA	MeJP	NA	NA
+PJ006741	PPTLR 	C26H46N8O7	582.349	NA	PeJP	NA	NA
+MJ083181	Thiobinupharidine; 6,6'-Diethoxy 	C34H50N2O4S	582.349128	NA	MeJP	NA	NA
+MJ083182	8-[(2-Oxo-3-piperidinyl)amino]-8-oxooctyl 5,9-anhydro-2,3,8-trideoxy-8-(5-hydroxy-4-methyl-2-hexenyl)-3-methyl-DL-glycero-LD-allo-non-2-enonoate 	C30H50N2O9	582.351631	NA	MeJP	NA	NA
+MJ083183	Antibiotic SB 291071; Homologue (R = -(CH2)12CH3) 	C30H50N2O9	582.351631	NA	MeJP	NA	NA
+MJ083184	Astasin 	C35H50O7	582.355653	NA	MeJP	NA	NA
+MJ083185	2,3-Dihydroxy-2-nor-?,?-carotene-3,4-dione 	C39H50O4	582.37091	NA	MeJP	NA	NA
+MJ083186	2-Norastaxanthin 	C39H50O4	582.37091	NA	MeJP	NA	NA
+PJ006742	PLLLQ 	C28H50N6O7	582.3741	NA	PeJP	NA	NA
+PJ006743	PVVLR 	C27H50N8O6	582.3854	NA	PeJP	NA	NA
+MJ083187	3,25-Epoxy-3,22-dihydroxy-12-oleanen-28-oic acid, 3-Me ether, 22-angeloyl 	C36H54O6	582.392039	NA	MeJP	NA	NA
+MJ083188	Lantic acid; 3-Me ether, 22?-angeloyloxy 	C36H54O6	582.392039	NA	MeJP	NA	NA
+MJ083189	Manzamine A, 8-Hydroxy, 1,2,3,4-tetrahydro, N2-Me 	C37H50N4O2	582.393376	NA	MeJP	NA	NA
+MJ083190	2,3-Dihydroxy-?,?-caroten-4-one 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083191	3',4'-Didehydro-1',2'-dihydro-1',2'-dihydroxy-?,?-caroten-4-one 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083192	7,8-Didehydro-?,?-carotene-3,3',6'-triol 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083193	Adonixanthin 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083194	Capsanthin; 3'-Ketone 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083195	Diadinochrome 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083196	Diadinoxanthin A 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083197	Flexixanthin 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083198	Pectenol 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083199	Prasinoxanthin; 3'-Deoxy, 3',4'-didehydro 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083200	?-Cryptoeutreptiellanone 	C40H54O3	582.407295	NA	MeJP	NA	NA
+MJ083201	?-Doradexanthin 	C40H54O3	582.407295	NA	MeJP	NA	NA
+C15968	Adonixanthin	C40H54O3	582.4073	NA	KEGG	NA	NA
+C16347	Deinoxanthin	C40H54O3	582.4073	NA	KEGG	NA	NA
+PJ006744	PLLLK 	C29H54N6O6	582.4105	NA	PeJP	NA	NA
+MJ083202	Bengamide Z; 6-Deoxy, 5'-O-tetradecanoyl 	C32H58N2O7	582.424402	NA	MeJP	NA	NA
+MJ083203	3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 5'-Deoxo, 1'-O-(9Z-octadecenoyl) 	C37H58O5	582.428424	NA	MeJP	NA	NA
+MJ083204	Polidocanol 	C30H62O10	582.434298	NA	MeJP	NA	NA
+C13493	Polidocanol	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13494	Transferred to D01994	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13495	Transferred to D01995	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13496	Transferred to D01996	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13497	Transferred to D01997	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13498	Transferred to D01998	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13499	Transferred to D01999	C30H62O10	582.4343	NA	KEGG	NA	NA
+C13500	Kitasamycin tartrate	C35H57NO13	582.4343	NA	KEGG	NA	NA
+C13501	Transferred to D02001	C35H57NO13	582.4343	NA	KEGG	NA	NA
+C13502	Transferred to D02002	C35H57NO13	582.4343	NA	KEGG	NA	NA
+MJ083205	1,2-Dihydro-1-methoxy-?,?-caroten-4-one 	C41H58O2	582.443681	NA	MeJP	NA	NA
+MJ083206	12-Oleanen-3-ol, O-(5-Phenyl-2,4-pentadienoyl) 	C41H58O2	582.443681	NA	MeJP	NA	NA
+MJ083207	Bacteriopurpurin 	C41H58O2	582.443681	NA	MeJP	NA	NA
+MJ083208	Rhodopinol; 20-Aldehyde, 1-Me ether 	C41H58O2	582.443681	NA	MeJP	NA	NA
+MJ083209	Saproxanthin; 1'-Me ether 	C41H58O2	582.443681	NA	MeJP	NA	NA
+MJ083210	Spheroidenone 	C41H58O2	582.443681	NA	MeJP	NA	NA
+MJ083211	Thiothece 474 	C41H58O2	582.443681	NA	MeJP	NA	NA
+C15879	Hydroxyspirilloxanthin	C41H58O2	582.4437	NA	KEGG	NA	NA
+C15880	Allatostatin I	C41H58O2	582.4437	NA	KEGG	NA	NA
+C15903	Spheroidenone	C41H58O2	582.4437	NA	KEGG	NA	NA
+C15904	Galantide	C41H58O2	582.4437	NA	KEGG	NA	NA
+C16277	R.g.-Keto I	C41H58O2	582.4437	NA	KEGG	NA	NA
+C16279	Thiothece-474	C41H58O2	582.4437	NA	KEGG	NA	NA
+C16280	Okenone	C41H58O2	582.4437	NA	KEGG	NA	NA
+MJ083212	Donhexocin; 19,20-Dideoxy 	C35H66O6	582.485939	NA	MeJP	NA	NA
+MJ083213	Gardnerilin B 	C35H66O6	582.485939	NA	MeJP	NA	NA
+MJ083214	N,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,8-octanediamine 	C36H62N4O2	582.487277	NA	MeJP	NA	NA
+HMDB07071	DG(15:0/18:0/0:0)	C36H70O5	582.522339	NA	HMDB2010	NA	NA
+HMDB07155	DG(18:0/15:0/0:0)	C36H70O5	582.522339	NA	HMDB2010	NA	NA
+HMDB11146	DG(16:0e/18:0/0:0)	C37H74O4	582.558716	NA	HMDB2010	NA	NA
+2742	activating kinases and phosphatases peptide	EPFYVNWPD	582.7469	MH2+	Inhouse_peptide	NA	peptide
+3603	heparin-binding peptide	PSITCVRRAF	582.795	MH2+	Inhouse_peptide	NA	peptide
+3696	NA	KKWHRRKK	582.8575	MH2+	Inhouse_peptide	NA	peptide
+C02894	Watasenia luciferin	C26H21N3O9S2	583.0719	NA	KEGG	NA	NA
+MJ083215	Coelenterazine; 4',4'''-Di-O-sulfate 	C26H21N3O9S2	583.07192	NA	MeJP	NA	NA
+PJ006745	CCDDE 	C19H29N5O12S2	583.1254	NA	PeJP	NA	NA
+PJ006746	CCNNM 	C19H33N7O8S3	583.1553	NA	PeJP	NA	NA
+PJ006747	SCDEM 	C20H33N5O11S2	583.1618	NA	PeJP	NA	NA
+PJ006748	PCCMM 	C21H37N5O6S4	583.1627	NA	PeJP	NA	NA
+PJ006749	GSSCCQ 	C19H33N7O10S2	583.1731	NA	PeJP	NA	NA
+PJ006750	GDDDY 	C23H29N5O13	583.1762	NA	PeJP	NA	NA
+PJ006751	PCCDF 	C24H33N5O8S2	583.1771	NA	PeJP	NA	NA
+PJ006752	GDMMM 	C21H37N5O8S3	583.1804	NA	PeJP	NA	NA
+PJ006753	VCCEM 	C21H37N5O8S3	583.1805	NA	PeJP	NA	NA
+MJ083216	Neoacrimarine C; 10-Deoxy 	C33H29NO9	583.184231	NA	MeJP	NA	NA
+PJ006754	SSSSCN 	C19H33N7O12S	583.1908	NA	PeJP	NA	NA
+PJ006755	CCCQK 	C20H37N7O7S3	583.1917	NA	PeJP	NA	NA
+PJ006756	SPCDY 	C24H33N5O10S	583.1948	NA	PeJP	NA	NA
+PJ006757	SSEMM 	C21H37N5O10S2	583.1982	NA	PeJP	NA	NA
+PJ006758	GCMHH 	C22H33N9O6S2	583.1995	NA	PeJP	NA	NA
+PJ006759	GCNQY 	C23H33N7O9S	583.2061	NA	PeJP	NA	NA
+PJ006760	GSSCCK 	C20H37N7O9S2	583.2094	NA	PeJP	NA	NA
+PJ006761	CEFW 	C28H33N5O7S	583.2101	NA	PeJP	NA	NA
+PJ006762	GSEEY 	C24H33N5O12	583.2126	NA	PeJP	NA	NA
+PJ006763	APCMY 	C25H37N5O7S2	583.2135	NA	PeJP	NA	NA
+PJ006764	ATMMM 	C22H41N5O7S3	583.2168	NA	PeJP	NA	NA
+PJ006765	STCHH 	C22H33N9O8S	583.2173	NA	PeJP	NA	NA
+PJ006766	SSNNY 	C23H33N7O11	583.2238	NA	PeJP	NA	NA
+PJ006767	PPCMH 	C24H37N7O6S2	583.2247	NA	PeJP	NA	NA
+PJ006768	SEYW 	C28H33N5O9	583.2278	NA	PeJP	NA	NA
+PJ006769	CCCKK 	C21H41N7O6S3	583.2281	NA	PeJP	NA	NA
+PJ006770	AAEMY 	C25H37N5O9S	583.2312	NA	PeJP	NA	NA
+MJ083217	Hikizimycin 	C21H37N5O14	583.2337	NA	MeJP	NA	NA
+PJ006771	TTTMM 	C22H41N5O9S2	583.2346	NA	PeJP	NA	NA
+PJ006772	GNQEH 	C22H33N9O10	583.2351	NA	PeJP	NA	NA
+MJ083218	Trideacetylpyripyropene A; 3,7,19-Tri-Ac 	C31H37NO10	583.241746	NA	MeJP	NA	NA
+PJ006773	DMRY 	C24H37N7O8S	583.2425	NA	PeJP	NA	NA
+PJ006774	CLYW 	C29H37N5O6S	583.2465	NA	PeJP	NA	NA
+PJ006775	ATTEY 	C25H37N5O11	583.249	NA	PeJP	NA	NA
+PJ006776	ACLMF 	C26H41N5O6S2	583.2498	NA	PeJP	NA	NA
+PJ006777	GVMMF 	C26H41N5O6S2	583.2499	NA	PeJP	NA	NA
+PJ006778	NQHW 	C26H33N9O7	583.2503	NA	PeJP	NA	NA
+PJ006779	GLEEH 	C24H37N7O10	583.2602	NA	PeJP	NA	NA
+MJ083219	Methyl 1-[3-[[[5-(aminocarbonyl)-6-(3,4-difluorophenyl)-4-ethyl-3,4-dihydro-2-oxo-1(2H)-pyrimidinyl]carbonyl]amino]propyl]-4-phenyl-4-piperidinecarboxylate 	C30H35F2N5O5	583.260625	NA	MeJP	NA	NA
+PJ006780	MMFR 	C25H41N7O5S2	583.2611	NA	PeJP	NA	NA
+PJ006781	GPHHH 	C25H33N11O6	583.2616	NA	PeJP	NA	NA
+PJ006782	AAPYY 	C29H37N5O8	583.2642	NA	PeJP	NA	NA
+PJ006783	GTLMY 	C26H41N5O8S	583.2676	NA	PeJP	NA	NA
+C18069	N1,N5,N10-Tricoumaroyl spermidine	C34H37N3O6	583.2682	NA	KEGG	NA	NA
+MJ083220	Spermidine; N,N',N''-Tris(4-hydroxycinnamoyl) 	C34H37N3O6	583.268235	NA	MeJP	NA	NA
+PJ006784	ATQQH 	C23H37N9O9	583.2714	NA	PeJP	NA	NA
+PJ006785	GNKEH 	C23H37N9O9	583.2715	NA	PeJP	NA	NA
+PJ006786	LEHW 	C28H37N7O7	583.2755	NA	PeJP	NA	NA
+PJ006787	SPLMH 	C25H41N7O7S	583.2788	NA	PeJP	NA	NA
+MJ083221	Ergotamine; Dihydro 	C33H37N5O5	583.279469	NA	MeJP	NA	NA
+C07798	Dihydroergotamine	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C07799	Transferred to D00679	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C07800	Transferred to D00680	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C07801	Transferred to D00681	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C07802	Transferred to D00682	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C07803	Transferred to D00683	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C07804	Transferred to D00684	C33H37N5O5	583.2795	NA	KEGG	NA	NA
+C01023	Dihydrostreptomycin	C21H41N7O12	583.2813	NA	KEGG	NA	NA
+MJ083222	Dihydrostreptomycin 	C21H41N7O12	583.281319	NA	MeJP	NA	NA
+PJ006788	GSQHR 	C22H37N11O8	583.2827	NA	PeJP	NA	NA
+PJ006789	STTLY 	C26H41N5O10	583.2854	NA	PeJP	NA	NA
+PJ006790	NKHW 	C27H37N9O6	583.2867	NA	PeJP	NA	NA
+PJ006791	SVLEH 	C25H41N7O9	583.2966	NA	PeJP	NA	NA
+MJ083223	Tiprostanide 	C33H45NO6S	583.296758	NA	MeJP	NA	NA
+PJ006792	AALFY 	C30H41N5O7	583.3006	NA	PeJP	NA	NA
+MJ083224	Youlemycin 	C23H45N5O12	583.306471	NA	MeJP	NA	NA
+PJ006793	SPPQR 	C24H41N9O8	583.3078	NA	PeJP	NA	NA
+PJ006794	GPPKW 	C29H41N7O6	583.3119	NA	PeJP	NA	NA
+MJ083225	Pyrochasmaconitine; 4'-Methoxy 	C33H45NO8	583.314517	NA	MeJP	NA	NA
+MJ083226	Senbusine A; O1-Me, O14-benzoyl, O8-Ac 	C33H45NO8	583.314517	NA	MeJP	NA	NA
+MJ083227	Taxine B 	C33H45NO8	583.314517	NA	MeJP	NA	NA
+PJ006795	ALLMH 	C26H45N7O6S	583.3152	NA	PeJP	NA	NA
+PJ006796	GSKHR 	C23H41N11O7	583.3191	NA	PeJP	NA	NA
+MJ083228	10-Hydroxy-18-(N-naphthalenyl-N-phenylamino)betaenone C 	C37H45NO5	583.329773	NA	MeJP	NA	NA
+MJ083229	Penitrem A; 15-Deoxy, dechloro 	C37H45NO5	583.329773	NA	MeJP	NA	NA
+MJ083230	Shearinine A 	C37H45NO5	583.329773	NA	MeJP	NA	NA
+PJ006797	TTLLH 	C26H45N7O8	583.333	NA	PeJP	NA	NA
+PJ006798	SPPKR 	C25H45N9O7	583.3442	NA	PeJP	NA	NA
+PJ006799	GPVRR 	C24H45N11O6	583.3555	NA	PeJP	NA	NA
+PJ006800	PLLLE 	C28H49N5O8	583.3581	NA	PeJP	NA	NA
+PJ006801	PRRR 	C23H45N13O5	583.3667	NA	PeJP	NA	NA
+PJ006802	PVLQK 	C27H49N7O7	583.3694	NA	PeJP	NA	NA
+MJ083231	Antibiotic M 2845 	C31H53NO9	583.372032	NA	MeJP	NA	NA
+MJ083232	Rosamicin; 20-Alcohol 	C31H53NO9	583.372032	NA	MeJP	NA	NA
+MJ083233	Tylonolide; 20-Deoxo, 5-O-(3,6-dideoxy-3-dimethylamino-?-D-glucopyranoside) 	C31H53NO9	583.372032	NA	MeJP	NA	NA
+PJ006803	APLKR 	C26H49N9O6	583.3806	NA	PeJP	NA	NA
+EUR892	Lyso PE 22:0 [M+FA-H]-	C27H56NO7P	583.384322	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR892	Lyso PE 22:0 [M+FA-H]-	C27H56NO7P	583.384322	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR892	Lyso PE 22:0 [M+FA-H]-	C27H56NO7P	583.384322	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR892	Lyso PE 22:0 [M+FA-H]-	C27H56NO7P	583.384322	masses lipides attendues	Inhousejuil11	NA	NA
+EUR673	Lyso PC 18:0 [M-H+acetate]-	C26H54NO7P	583.384892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR673	Lyso PC 18:0 [M-H+acetate]-	C26H54NO7P	583.384892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR673	Lyso PC 18:0 [M-H+acetate]-	C26H54NO7P	583.384892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR673	Lyso PC 18:0 [M-H+acetate]-	C26H54NO7P	583.384892	masses lipides attendues	Inhousejuil11	NA	NA
+MJ083234	Antibiotic 1656G 	C29H53N5O7	583.394499	NA	MeJP	NA	NA
+PJ006804	PVLKK 	C28H53N7O6	583.4058	NA	PeJP	NA	NA
+PJ006805	LLLLL 	C30H57N5O6	583.4309	NA	PeJP	NA	NA
+MJ083235	Didemniserinolipid A; O-De-Ac, Et ester 	C33H61NO7	583.444803	NA	MeJP	NA	NA
+MJ083236	2-Amino-1,3,4-tridecanetriol, N-Tricosanoyl 	C36H73NO4	583.553959	NA	MeJP	NA	NA
+7318	celiac sprue gluten epitope from gamma-gliadin	PHQQQQQQF	583.763	MH2+	Inhouse_peptide	NA	peptide
+7405	celiac sprue gluten epitope found in secalin	QHQQFPQQQ	583.763	MH2+	Inhouse_peptide	NA	peptide
+7038	synthetic peptide from alpha-gliadin	AMCNVYIPPYCT	583.77465	MH2+	Inhouse_peptide	NA	peptide
+FL5FACNSS009	Quercetin 3-acetate 7,3',4'-tri-O-sulfate	C17H12O17S3	583.92366	60534-79-4	knapsack	NA	NA
+MJ083237	3,3',4',5,7-Pentahydroxyflavone; 3-Ac, 3',4',7-tri-O-sulfate 	C17H12O17S3	583.923661	NA	MeJP	NA	NA
+MJ083238	Echinosulfonic acid C; 1''-Et ether 	C21H18Br2N2O6S	583.925232	NA	MeJP	NA	NA
+MJ083239	Cefodizime 	C20H20N6O7S4	584.027629	NA	MeJP	NA	NA
+MJ083240	Antibiotic Sch 202596 	C25H22Cl2O12	584.048831	NA	MeJP	NA	NA
+MJ083241	3',3''',4',4'',5,5'',7,7''-Octahydroxy-2',8''-biflavone; 4'''-Me ether 	C31H20O12	584.095476	NA	MeJP	NA	NA
+MJ083242	Glucose 3-nitropropanoates; 1,2,3,6-Tetrakis-(3-nitropropanoyl)-?-D-glucopyranose 	C18H24N4O18	584.108559	NA	MeJP	NA	NA
+MJ083243	Glucose 3-nitropropanoates; 1,2,4,6-Tetrakis-(3-nitropropanoyl)-?-D-glucopyranose 	C18H24N4O18	584.108559	NA	MeJP	NA	NA
+MJ083244	Glucose 3-nitropropanoates; 1,3,4,6-Tetrakis-(3-nitropropanoyl)-?-D-glucopyranose 	C18H24N4O18	584.108559	NA	MeJP	NA	NA
+MJ083245	Glucose 3-nitropropanoates; 2,3,4,6-Tetrakis(3-nitropropanoyl)-?-D-glucopyranose 	C18H24N4O18	584.108559	NA	MeJP	NA	NA
+FL3FAACS0083	2''-O-Galloylisovitexin	C28H24O14	584.1166	267883-58-9	knapsack	NA	NA
+FL3FAACS0087	Vitexin 2''-O-gallate	C28H24O14	584.1166	267883-59-0	knapsack	NA	NA
+FL5FACGA0030	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)	C28H24O14	584.1166	72672-58-3	knapsack	NA	NA
+FL5FAGGS0028	Myricetin 3-(2''-p-hydroxybenzoylrhamnoside);3-[[6-Deoxy-2-O-(4-hydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C28H24O14	584.1166	284684-23-7	knapsack	NA	NA
+MJ083246	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[4-Hydroxybenzoyl-(?2)-?-L-rhamnopyranoside] 	C28H24O14	584.116605	NA	MeJP	NA	NA
+MJ083247	4',5,7-Trihydroxyflavone; 5-O-[3,4,5-Trihydroxybenzoyl-(??)-?-D-glucopyranoside] 	C28H24O14	584.116605	NA	MeJP	NA	NA
+MJ083248	Hyperin; 6''-O-(4-Hydroxybenzoyl) 	C28H24O14	584.116605	NA	MeJP	NA	NA
+MJ083249	Isovitexin; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O14	584.116605	NA	MeJP	NA	NA
+MJ083250	Vitexin; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O14	584.116605	NA	MeJP	NA	NA
+PJ006806	GPCCCC 	C19H32N6O7S4	584.1216	NA	PeJP	NA	NA
+MJ083251	Rugulosin, 2,2'-Diepimer, 2-O-Ac 	C32H24O11	584.131861	NA	MeJP	NA	NA
+MJ083252	?-D-Galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-mannose; ?-D-Pyranose-form, 1-Phosphate 	C18H33O19P	584.135365	NA	MeJP	NA	NA
+MJ083253	?-D-Mannopyranosyl-(1?2)-?-D-mannopyranosyl-(1?6)-D-mannose; ?-Pyranose-form, 6'-Phosphate 	C18H33O19P	584.135365	NA	MeJP	NA	NA
+MJ083254	1,2,6,8-Tetrahydroxyxanthone; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083255	1,2,6,8-Tetrahydroxyxanthone; 6,8-Di-O-?-D-glucopyranoside 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083256	1,2,6,8-Tetrahydroxyxanthone; 8-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083257	1,2,6,8-Tetrahydroxyxanthone; 8-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083258	Isomangiferin; O-?-D-Glucopyranosyl (1) 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083259	Isomangiferin; O-?-D-Glucopyranosyl (2) 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083260	Mangiferin; 6-O-?-D-Glucopyranoside 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083261	Mangiferin; 7-O-?-D-Glucopyranoside 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083262	Mangiferin; O-?-D-Glucopyranoside 	C25H28O16	584.137734	NA	MeJP	NA	NA
+MJ083263	Mangiferin; O-Glucosyl 	C25H28O16	584.137734	NA	MeJP	NA	NA
+PJ006807	CCNDM 	C19H32N6O9S3	584.1393	NA	PeJP	NA	NA
+MJ083264	3,3',4',5,7-Pentahydroxyflavanone, 3'-O-(6-O-Phenylacetyl-?-D-glucopyranoside) 	C29H28O13	584.15299	NA	MeJP	NA	NA
+FL4DACGS0020	Taxifolin 3'-(6''-phenylacetylglucoside)	C29H28O13	584.15299	95519-27-0	knapsack	NA	NA
+PJ006808	ACCCW 	C23H32N6O6S3	584.1546	NA	PeJP	NA	NA
+PJ006809	GSSCCE 	C19H32N6O11S2	584.1571	NA	PeJP	NA	NA
+MJ083265	3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone, 4',4''',7''-Tri-Me ether 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083266	Amentoflavone; 2,2'',3,3''-Tetrahydro, 4',7,7''-tri-Me ether 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083267	Anhydrophlegmacin-9,10-quinone A2; 5'-Me ether 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083268	Anhydropseudophlegmacin 9,10-quinone; 1-Me ether 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083269	Chamaejasmin, 4',4''',7-Tri-Me ether 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083270	Dermocanarin 1 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083271	Hexaspermone C 	C33H28O10	584.168247	NA	MeJP	NA	NA
+MJ083272	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2'-(3-Phenylpropanoyl), 3',5',6'-tri-Ac 	C33H28O10	584.168247	NA	MeJP	NA	NA
+PJ006810	SSCCW 	C23H32N6O8S2	584.1723	NA	PeJP	NA	NA
+MJ083273	1,2,4-Benzenetriol; 2-Me ether, 4-O-[4-hydroxy-3-methoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C26H32O15	584.17412	NA	MeJP	NA	NA
+MJ083274	Arbutin; 2-O-[(4-Hydroxy-3,5-dimethoxybenzoyl)-(?5)-?-D-apiofuranosyl] 	C26H32O15	584.17412	NA	MeJP	NA	NA
+MJ083275	Nyctanthoside; 10-O-(3,4-Dihydroxy-E-cinnamoyl) 	C26H32O15	584.17412	NA	MeJP	NA	NA
+MJ083276	Nyctanthoside; 7-O-(3,4-Dihydroxycinnamoyl) 	C26H32O15	584.17412	NA	MeJP	NA	NA
+PJ006811	SSSSCD 	C19H32N6O13S	584.1748	NA	PeJP	NA	NA
+PJ006812	SCNMM 	C20H36N6O8S3	584.1757	NA	PeJP	NA	NA
+MJ083277	7,7'-Oxybis[6-methyl-5,8-dioxo-1-isoquinolinemethanol]; Diangeloyl 	C32H28N2O9	584.17948	NA	MeJP	NA	NA
+PJ006813	TCCCR 	C19H36N8O7S3	584.1869	NA	PeJP	NA	NA
+FL63ACGN0001	Sachaliside 2	C30H32O12	584.18937	132185-21-8	knapsack	NA	NA
+MJ083278	2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, O-[(4-Hydroxy-3-methoxy-E-cinnamoyl)-(?6)-?-D-glucopyranoside] 	C30H32O12	584.189376	NA	MeJP	NA	NA
+MJ083279	Albiflorin; 6'-O-Benzoyl 	C30H32O12	584.189376	NA	MeJP	NA	NA
+MJ083280	Aloesin; 7-Me ether, 2'-O-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C30H32O12	584.189376	NA	MeJP	NA	NA
+MJ083281	Paeonidaninol A 	C30H32O12	584.189376	NA	MeJP	NA	NA
+MJ083282	Paeoniflorin; 6'-O-Benzoyl 	C30H32O12	584.189376	NA	MeJP	NA	NA
+MJ083283	Sachaliside 2 	C30H32O12	584.189376	NA	MeJP	NA	NA
+PJ006814	GCNEY 	C23H32N6O10S	584.1901	NA	PeJP	NA	NA
+PJ006815	GSSTCM 	C20H36N6O10S2	584.1935	NA	PeJP	NA	NA
+PJ006816	PCNDH 	C22H32N8O9S	584.2013	NA	PeJP	NA	NA
+MJ083284	6-Chloro-2,8,9,13,14-pentahydroxy-5(16),11(20)-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac 	C28H37ClO11	584.202439	NA	MeJP	NA	NA
+PJ006817	CNYW 	C27H32N6O7S	584.2053	NA	PeJP	NA	NA
+PJ006818	SSNDY 	C23H32N6O12	584.2078	NA	PeJP	NA	NA
+MJ083285	Ozemycin A 	C23H32N6O12	584.20782	NA	MeJP	NA	NA
+PJ006819	GCQMF 	C24H36N6O7S2	584.2087	NA	PeJP	NA	NA
+MJ083286	Laciniatoside V; 7-Aldehyde 	C27H36O14	584.210505	NA	MeJP	NA	NA
+MJ083287	Scaevoloside 	C27H36O14	584.210505	NA	MeJP	NA	NA
+MJ083288	Sylvestroside IV 	C27H36O14	584.210505	NA	MeJP	NA	NA
+PJ006820	SSSSSM 	C20H36N6O12S	584.2112	NA	PeJP	NA	NA
+PJ006821	TCCKM 	C21H40N6O7S3	584.2121	NA	PeJP	NA	NA
+2708	erythromycin inhibitor	MTITC	584.2184	NA	Inhouse_peptide	NA	peptide
+PJ006822	GNEEH 	C22H32N8O11	584.2191	NA	PeJP	NA	NA
+PJ006823	GCCFR 	C23H36N8O6S2	584.2199	NA	PeJP	NA	NA
+MJ083289	Buddlenol B 	C31H36O11	584.225761	NA	MeJP	NA	NA
+MJ083290	Buddlenol E 	C31H36O11	584.225761	NA	MeJP	NA	NA
+MJ083291	Ficusesquilignan B 	C31H36O11	584.225761	NA	MeJP	NA	NA
+MJ083292	Hedyotol C 	C31H36O11	584.225761	NA	MeJP	NA	NA
+PJ006824	GSQMY 	C24H36N6O9S	584.2265	NA	PeJP	NA	NA
+MetaCyc03914	Mg-protoporphyrin [Mg-protoporphyrin IX;Mg-protoporphyrin;magnesium protoporphyrin;MgP;]	C34H32N4O4MG1	584.227397	NA	metacyc	NA	NA
+C03516	Magnesium protoporphyrin	C34H32MgN4O4	584.2274	NA	KEGG	NA	NA
+C03517	Monoterpenyl diphosphate	P2H3O7R	584.2274	NA	KEGG	NA	NA
+C03518	N-Acetyl-D-glucosaminide	C8H14NO6R	584.2274	NA	KEGG	NA	NA
+PJ006825	SNNNH 	C21H32N10O10	584.2303	NA	PeJP	NA	NA
+PJ006826	NEHW 	C26H32N8O8	584.2343	NA	PeJP	NA	NA
+PJ006827	GSCRY 	C23H36N8O8S	584.2377	NA	PeJP	NA	NA
+MJ083293	18-Chloro-1,4,6,12,19-pentahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, 6,19-di-Ac 	C29H41ClO10	584.238825	NA	MeJP	NA	NA
+MJ083294	Antibiotic C 104 	C35H36O8	584.241018	NA	MeJP	NA	NA
+MJ083295	Iryantherin C 	C35H36O8	584.241018	NA	MeJP	NA	NA
+PJ006828	SSTQY 	C24H36N6O11	584.2442	NA	PeJP	NA	NA
+PJ006829	GCKMF 	C25H40N6O6S2	584.2451	NA	PeJP	NA	NA
+7712	NA	GWNNLHEGWG	584.2454	MH2+	Inhouse_peptide	NA	peptide
+MJ083296	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5',9-Tetra-Me ether, 9'-O-?-D-glucopyranoside 	C28H40O13	584.246891	NA	MeJP	NA	NA
+3712	NA	FYQQ	584.247	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006830	GHWW 	C30H32N8O5	584.2496	NA	PeJP	NA	NA
+MJ083297	Sampatrilat 	C26H40N4O9S	584.251599	NA	MeJP	NA	NA
+PJ006831	GDKEH 	C23H36N8O10	584.2555	NA	PeJP	NA	NA
+PJ006832	GPPEW 	C28H36N6O8	584.2595	NA	PeJP	NA	NA
+MJ083298	19-Hydroxyingol; 7-Phenylacetyl, 3,19-di-Ac 	C32H40O10	584.262147	NA	MeJP	NA	NA
+MJ083299	Detigloylswietenine; 2?-Hydroxy, 3-tigloyl 	C32H40O10	584.262147	NA	MeJP	NA	NA
+MJ083300	Detigloylswietenine; 8?,30?-Epoxide, 3-tigloyl 	C32H40O10	584.262147	NA	MeJP	NA	NA
+MJ083301	Xylocarpin; 3-O-De-Ac, 3-O-tigloyl, 2-hydroxy 	C32H40O10	584.262147	NA	MeJP	NA	NA
+MJ083302	Xylocarpin; 6R-Hydroxy, O-de-Ac, 3-O-tigloyl 	C32H40O10	584.262147	NA	MeJP	NA	NA
+PJ006833	ATCKY 	C25H40N6O8S	584.2628	NA	PeJP	NA	NA
+PJ006834	GSKMY 	C25H40N6O8S	584.2629	NA	PeJP	NA	NA
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR562	bilirubin	[M+H]+	584.263175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR562	bilirubin	[M+H]+	584.263175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR562	bilirubin	[M+H]+	584.263175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR562	bilirubin	NA	584.263175	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR562	bilirubin	[M+H]+	584.263175	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR562	bilirubin	NA	584.263175	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ083303	Bilirubin 	C33H36N4O6	584.263484	NA	MeJP	NA	NA
+HMDB00054	Bilirubin	C33H36N4O6	584.263489	NA	HMDB2010	NA	NA
+HMDB00488	4E,15Z-Bilirubin IXa	C33H36N4O6	584.263489	NA	HMDB2010	NA	NA
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00054	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00054	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00054	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00054	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00054	HMDB	NA	NA
+HMDB00488	4E,15Z-Bilirubin IXa	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00488	HMDB	NA	NA
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	http://www.hmdb.ca/metabolites/HMDB00054	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00054	Bilirubin	C33H36N4O6	584.26349	HMDB00054	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00488	4E,15Z-Bilirubin IXa	C33H36N4O6	584.26349	HMDB00488	PFEM_hmdb_metabocards_official	NA	NA
+C00486	Bilirubin	C33H36N4O6	584.2635	NA	KEGG	NA	NA
+C05913	(3Z)-Phytochromobilin	C33H36N4O6	584.2635	NA	KEGG	NA	NA
+C05914	Bathorhodopsin	C20H28R	584.2635	NA	KEGG	NA	NA
+C05915	Lumirhodopsin	C20H28R	584.2635	NA	KEGG	NA	NA
+C05916	Metarhodopsin	C20H28R	584.2635	NA	KEGG	NA	NA
+C05917	Iodopsin	C20H28R	584.2635	NA	KEGG	NA	NA
+C11630	15,16-Dihydrobiliverdin	C33H36N4O6	584.2635	NA	KEGG	NA	NA
+PJ006835	GSEHR 	C22H36N10O9	584.2667	NA	PeJP	NA	NA
+MJ083304	8,8'-Bismurrayamine A; Di-Me ether 	C38H36N2O4	584.267507	NA	MeJP	NA	NA
+MJ083305	Urabaine; N,N'-Di-Me 	C38H36N2O4	584.267507	NA	MeJP	NA	NA
+PJ006836	DKHW 	C27H36N8O7	584.2707	NA	PeJP	NA	NA
+PJ006837	GLQMH 	C24H40N8O7S	584.2741	NA	PeJP	NA	NA
+PJ006838	PPWW 	C32H36N6O5	584.2747	NA	PeJP	NA	NA
+MJ083306	4-Chloro-7(14)-bisabolene-1,2,3,8,10,11-hexol, 10,11-Isopropylidene, 1,8-diangeloyl, 2-Ac 	C30H45ClO9	584.27521	NA	MeJP	NA	NA
+PJ006839	SSTKY 	C25H40N6O10	584.2806	NA	PeJP	NA	NA
+PJ006840	SHRW 	C26H36N10O6	584.2819	NA	PeJP	NA	NA
+MJ083307	1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-(6-Deoxy-L-taloside) 	C29H44O12	584.283276	NA	MeJP	NA	NA
+MJ083308	1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O12	584.283276	NA	MeJP	NA	NA
+MJ083309	1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-(6-Deoxy-L-taloside) 	C29H44O12	584.283276	NA	MeJP	NA	NA
+MJ083310	1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide, 3-O-?-L-Rhamnopyranoside 	C29H44O12	584.283276	NA	MeJP	NA	NA
+C01443	Ouabain	C29H44O12	584.2833	NA	KEGG	NA	NA
+PJ006841	AAMHR 	C23H40N10O6S	584.2853	NA	PeJP	NA	NA
+MJ083311	Linetastine 	C35H40N2O6	584.288637	NA	MeJP	NA	NA
+PJ006842	ATKEH 	C24H40N8O9	584.2918	NA	PeJP	NA	NA
+PJ006843	SPPER 	C24H40N8O9	584.2919	NA	PeJP	NA	NA
+MJ083312	Antibiotic WS 7338; Antibiotic WS 7338D 	C29H40N6O7	584.295847	NA	MeJP	NA	NA
+MJ083313	Cleromyrin II 	C29H40N6O7	584.295847	NA	MeJP	NA	NA
+PJ006844	SPPVW 	C29H40N6O7	584.2959	NA	PeJP	NA	NA
+MJ083314	5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 7,9,14-tri-Ac 	C33H44O9	584.298533	NA	MeJP	NA	NA
+MJ083315	Nimbolinin B; 1-De-Ac 	C33H44O9	584.298533	NA	MeJP	NA	NA
+MJ083316	Nimbolinin B; O7-Detigloyl, O1-de-Ac, O1-tigloyl(12?-) 	C33H44O9	584.298533	NA	MeJP	NA	NA
+MJ083317	Sarothralen B; 3',4'-Dihydro, 3'-hydroxy 	C33H44O9	584.298533	NA	MeJP	NA	NA
+MJ083318	Sarothralin D 	C33H44O9	584.298533	NA	MeJP	NA	NA
+MJ083319	Superphyllinic acid; 4-O-De-Me, 2'-Me ether 	C33H44O9	584.298533	NA	MeJP	NA	NA
+PJ006845	PPLQM 	C26H44N6O7S	584.2992	NA	PeJP	NA	NA
+PJ006846	GAPPLM 	C26H44N6O7S	584.2993	NA	PeJP	NA	NA
+MJ083320	Aralionine C 	C34H40N4O5	584.29987	NA	MeJP	NA	NA
+MJ083321	Scutianine D 	C34H40N4O5	584.29987	NA	MeJP	NA	NA
+PJ006847	ATTHR 	C23H40N10O8	584.3031	NA	PeJP	NA	NA
+PJ006848	GPKHF 	C28H40N8O6	584.3071	NA	PeJP	NA	NA
+MJ083322	Isolappaconitine 	C32H44N2O8	584.309766	NA	MeJP	NA	NA
+MJ083323	Puberanidine; N-Ac 	C32H44N2O8	584.309766	NA	MeJP	NA	NA
+C08694	Lappaconitine	C32H44N2O8	584.3098	NA	KEGG	NA	NA
+2677	NA	GGCRIGPITWVCGG	584.31	MH2+	Inhouse_peptide	NA	peptide
+PJ006849	PPCLR 	C25H44N8O6S	584.3105	NA	PeJP	NA	NA
+C09100	Caracurine V	C38H40N4O2	584.3151	NA	KEGG	NA	NA
+MJ083324	Caracurine V 	C38H40N4O2	584.315126	NA	MeJP	NA	NA
+MJ083325	Divaricine 	C38H40N4O2	584.315126	NA	MeJP	NA	NA
+MJ083326	Longicaudatine; N4-Oxide 	C38H40N4O2	584.315126	NA	MeJP	NA	NA
+MJ083327	Toxiferine I; Bis(deoxy), di-N-de-Me, N4,N4'-dioxide 	C38H40N4O2	584.315126	NA	MeJP	NA	NA
+PJ006850	PVLQE 	C26H44N6O9	584.317	NA	PeJP	NA	NA
+HMDB02577	Cholic acid glucuronide	C30H48O11	584.31964	http://www.hmdb.ca/metabolites/HMDB02577	HMDB	NA	NA
+HMDB02577	Cholic acid glucuronide	C30H48O11	584.31964	HMDB02577	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02577	Cholic acid glucuronide	C30H48O11	584.319641	NA	HMDB2010	NA	NA
+MJ083328	Cyl-1 	C31H44N4O7	584.320999	NA	MeJP	NA	NA
+PJ006851	APLER 	C25H44N8O8	584.3282	NA	PeJP	NA	NA
+PJ006852	GGGGPLK 	C25H44N8O8	584.3283	NA	PeJP	NA	NA
+PJ006853	KKFY 	C30H44N6O6	584.3322	NA	PeJP	NA	NA
+MJ083329	Cleromyrine I 	C30H44N6O6	584.332233	NA	MeJP	NA	NA
+PJ006854	GPLLW 	C30H44N6O6	584.3323	NA	PeJP	NA	NA
+C09108	Huratoxin	C34H48O8	584.3349	NA	KEGG	NA	NA
+C11964	Avermectin A1b aglycone	C34H48O8	584.3349	NA	KEGG	NA	NA
+C11979	Avermectin B1a aglycone	C34H48O8	584.3349	NA	KEGG	NA	NA
+MJ083330	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 6-(2Z,4E-Decadienoyl), 18,19-di-Ac 	C34H48O8	584.334918	NA	MeJP	NA	NA
+MJ083331	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 22-Benzoyl 	C34H48O8	584.334918	NA	MeJP	NA	NA
+MJ083332	Antibiotic S 541; Antibiotic S 541C 	C34H48O8	584.334918	NA	MeJP	NA	NA
+MJ083333	Antibiotic VM 44866 	C34H48O8	584.334918	NA	MeJP	NA	NA
+MJ083334	Huratoxin 	C34H48O8	584.334918	NA	MeJP	NA	NA
+MJ083335	Petuniasterone D; 12?-Acetoxy, 7-Ac 	C34H48O8	584.334918	NA	MeJP	NA	NA
+MJ083336	Vannusal A 	C34H48O8	584.334918	NA	MeJP	NA	NA
+PJ006855	PPLKM 	C27H48N6O6S	584.3356	NA	PeJP	NA	NA
+PJ006856	GPQKR 	C24H44N10O7	584.3395	NA	PeJP	NA	NA
+MJ083337	Acinetoferrin 	C28H48N4O9	584.342129	NA	MeJP	NA	NA
+MJ083338	Sampsonione I 	C38H48O5	584.350174	NA	MeJP	NA	NA
+MJ083339	Sampsonione J 	C38H48O5	584.350174	NA	MeJP	NA	NA
+PJ006857	PVLKE 	C27H48N6O8	584.3534	NA	PeJP	NA	NA
+PJ006858	SPLLR 	C26H48N8O7	584.3646	NA	PeJP	NA	NA
+MJ083340	Gentinone A 	C35H52O7	584.371304	NA	MeJP	NA	NA
+MJ083341	Milbemycin IV; 23?-Hydroxy, O5-Me 	C35H52O7	584.371304	NA	MeJP	NA	NA
+MJ083342	Nidohottin; 6-Oxo 	C35H52O7	584.371304	NA	MeJP	NA	NA
+PJ006859	GPKKR 	C25H48N10O6	584.3759	NA	PeJP	NA	NA
+PJ006860	VLLLQ 	C28H52N6O7	584.3898	NA	PeJP	NA	NA
+MJ083343	Cholestane-3,6,7,15,24-pentol, 24-O-?-D-Xylopyranoside 	C32H56O9	584.392433	NA	MeJP	NA	NA
+MJ083344	Cholestane-3,6,8,15,24-pentol, 24-O-?-Xylopyranoside 	C32H56O9	584.392433	NA	MeJP	NA	NA
+MJ083345	Cholestane-3,6,8,15,24-pentol, 24-O-?-L-Arabinofuranoside 	C32H56O9	584.392433	NA	MeJP	NA	NA
+PJ006861	ALLLR 	C27H52N8O6	584.401	NA	PeJP	NA	NA
+MJ083346	Bengamide Z; 6-O-Tridecanoyl 	C31H56N2O8	584.403666	NA	MeJP	NA	NA
+MJ083347	Bengamide Z; N-De-Me, 6-O-(12-methyltridecanoyl) 	C31H56N2O8	584.403666	NA	MeJP	NA	NA
+MJ083348	Bengamide Z; N-De-Me, 6-O-tetradecanoyl 	C31H56N2O8	584.403666	NA	MeJP	NA	NA
+MJ083349	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3,23-Isopropylidene, 2-Ac, Me ester 	C36H56O6	584.407689	NA	MeJP	NA	NA
+MJ083350	Maeganedin A 	C37H52N4O2	584.409026	NA	MeJP	NA	NA
+C08579	Antheraxanthin	C40H56O3	584.4229	NA	KEGG	NA	NA
+C08584	Capsanthin	C40H56O3	584.4229	NA	KEGG	NA	NA
+C08594	Flavoxanthin	C40H56O3	584.4229	NA	KEGG	NA	NA
+C08602	Lutein 5,6-epoxide	C40H56O3	584.4229	NA	KEGG	NA	NA
+C15919	Myxol	C40H56O3	584.4229	NA	KEGG	NA	NA
+C15920	Heparin binding peptide	C40H56O3	584.4229	NA	KEGG	NA	NA
+C15921	Histatin 5	C40H56O3	584.4229	NA	KEGG	NA	NA
+C15922	Indolicidin	C40H56O3	584.4229	NA	KEGG	NA	NA
+C16282	Caloxanthin	C40H56O3	584.4229	NA	KEGG	NA	NA
+MJ083351	4,5'-Retro-?,?-carotene-3,3',5'-triol 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083352	5,8-Epoxy-5,8-dihydro-?,?-carotene-3,3'-diol 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083353	?,?-Carotene-3,3',4-triol 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083354	?,?-Carotene-3,4,4'-triol 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083355	?,?-Carotene-3,3',4-triol 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083356	Antheraxanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083357	Capsanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083358	Cryptoxanthin 5,6:5',8'-diepoxide 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083359	Cucurbitaxanthin A 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083360	Deepoxyneoxanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083361	Loroxanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083362	Lutein epoxide 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083363	Micromonol; 19'-Aldehyde 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083364	Mutatoxanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083365	Myxol 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083366	Nostoxanthin; 2'-Deoxy 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083367	Plectaniaxanthin, 2?-Hydroxy 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083368	Pyrenoxanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083369	Triphasiaxanthin 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083370	Violaxanthin, Monodeoxy 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MJ083371	2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone 	C40H56O3	584.422945	NA	MeJP	NA	NA
+MetaCyc03915	capsanthin []	C40H56O3	584.422946	NA	metacyc	NA	NA
+MetaCyc03916	antheraxanthin []	C40H56O3	584.422946	NA	metacyc	NA	NA
+PJ006862	VLLLK 	C29H56N6O6	584.4262	NA	PeJP	NA	NA
+C08553	PM-Toxin A	C33H60O8	584.4288	NA	KEGG	NA	NA
+MJ083372	4,12,20,28-Tetrahydroxy-2,10,18,26-tritriacontanetetrone 	C33H60O8	584.428818	NA	MeJP	NA	NA
+MJ083373	Antibiotic X 14889A 	C33H60O8	584.428818	NA	MeJP	NA	NA
+MJ083374	3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 5'-Deoxo, 1'-O-octadecanoyl 	C37H60O5	584.444075	NA	MeJP	NA	NA
+MJ083375	4,11-Eudesmanediol; 4?-form, 4-[15-Acetoxy-8(17),13E-labdadien-19-oyl] ester 	C37H60O5	584.444075	NA	MeJP	NA	NA
+MJ083376	Polyporenic acid A; 3-Hexanoyl 	C37H60O5	584.444075	NA	MeJP	NA	NA
+HMDB07056	DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C37H60O5	584.444092	NA	HMDB2010	NA	NA
+HMDB07560	DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)	C37H60O5	584.444092	NA	HMDB2010	NA	NA
+C15878	Rhodovibrin	C41H60O2	584.4593	NA	KEGG	NA	NA
+MJ083377	1,2-Dihydro-1-methoxy-?,?-caroten-4-one; 7',8'-Dihydro 	C41H60O2	584.459331	NA	MeJP	NA	NA
+MJ083378	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Hexaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol 	C41H60O2	584.459331	NA	MeJP	NA	NA
+MJ083379	Bacteriopurpurin; 3,4-Dihydro 	C41H60O2	584.459331	NA	MeJP	NA	NA
+MJ083380	16-Kaurene-7,18-diol, 18-Hexadecanoyl, 7-Ac 	C38H64O4	584.48046	NA	MeJP	NA	NA
+MJ083381	3-(4-Hydroxyphenyl)-2-propenoic acid, Triacontyl ester 	C39H68O3	584.516846	NA	MeJP	NA	NA
+C07596	HLo7	C15H17N5O4	584.937	NA	KEGG	NA	NA
+MJ083382	Deacylconvolutamide; N-(9Z-Hexadecenoyl) 	C26H37Br2NO4	585.108933	NA	MeJP	NA	NA
+PJ006863	CCDDM 	C19H31N5O10S3	585.1233	NA	PeJP	NA	NA
+PJ006864	GSCCCN 	C18H31N7O9S3	585.1346	NA	PeJP	NA	NA
+MJ083383	[1,1,1-Tris[(5-methoxysalicylaldiminato)methyl]ethane]gallium 	C29H30GaN3O6	585.139041	NA	MeJP	NA	NA
+PJ006865	SCDMM 	C20H35N5O9S3	585.1597	NA	PeJP	NA	NA
+C11375	SN38 glucuronide carboxylate form	C28H29N2O12	585.172	NA	KEGG	NA	NA
+PJ006866	GCDEY 	C23H31N5O11S	585.1741	NA	PeJP	NA	NA
+MJ083384	Astin; Astin A 	C25H33Cl2N5O7	585.175703	NA	MeJP	NA	NA
+MJ083385	Astin; Astin B 	C25H33Cl2N5O7	585.175703	NA	MeJP	NA	NA
+PJ006867	ACMMM 	C21H39N5O6S4	585.1783	NA	PeJP	NA	NA
+PJ006868	SCCHH 	C21H31N9O7S2	585.1788	NA	PeJP	NA	NA
+MJ083386	Antibiotic D 788-9 	C29H31NO12	585.184625	NA	MeJP	NA	NA
+MJ083387	Daunomycin; N-(Methoxycarbonyl) 	C29H31NO12	585.184625	NA	MeJP	NA	NA
+PJ006869	PCDDH 	C22H31N7O10S	585.1853	NA	PeJP	NA	NA
+PJ006870	CDYW 	C27H31N5O8S	585.1894	NA	PeJP	NA	NA
+MJ083388	Amprenavir; 2-Phosphate 	C25H36N3O9PS	585.190986	NA	MeJP	NA	NA
+PJ006871	SSDDY 	C23H31N5O13	585.1919	NA	PeJP	NA	NA
+PJ006872	PTCCY 	C24H35N5O8S2	585.1927	NA	PeJP	NA	NA
+PJ006873	SSMMM 	C21H39N5O8S3	585.1961	NA	PeJP	NA	NA
+PJ006874	GDEEH 	C22H31N7O12	585.2031	NA	PeJP	NA	NA
+PJ006875	CMFW 	C28H35N5O5S2	585.208	NA	PeJP	NA	NA
+C07482	Montelukast	C35H36ClNO3S	585.2104	NA	KEGG	NA	NA
+C07483	Transferred to D00529	C35H36ClNO3S	585.2104	NA	KEGG	NA	NA
+MJ083389	Montelukast 	C35H36ClNO3S	585.210442	NA	MeJP	NA	NA
+PJ006876	GSEMY 	C24H35N5O10S	585.2105	NA	PeJP	NA	NA
+PJ006877	SNNDH 	C21H31N9O11	585.2143	NA	PeJP	NA	NA
+PJ006878	DEHW 	C26H31N7O9	585.2184	NA	PeJP	NA	NA
+MJ083390	Epelmycin C; 4A-O-Deglycosyl 	C30H35NO11	585.22101	NA	MeJP	NA	NA
+MJ083391	Griseusin B, 4-Hydroxy, lactone, 3'-O-[?-D-2,3,4,6-tetradeoxy-4-(dimethylamino)-erythro-hexopyranoside] 	C30H35NO11	585.22101	NA	MeJP	NA	NA
+MJ083392	Nocardicyclin A 	C30H35NO11	585.22101	NA	MeJP	NA	NA
+MJ083393	Pyrromycin 	C30H35NO11	585.22101	NA	MeJP	NA	NA
+PJ006879	SPDMH 	C23H35N7O9S	585.2217	NA	PeJP	NA	NA
+PJ006880	SMYW 	C28H35N5O7S	585.2257	NA	PeJP	NA	NA
+PJ006881	SSTEY 	C24H35N5O12	585.2282	NA	PeJP	NA	NA
+PJ006882	AAMMY 	C25H39N5O7S2	585.2291	NA	PeJP	NA	NA
+MJ083394	Pecocycline 	C29H35N3O10	585.232244	NA	MeJP	NA	NA
+PJ006883	ACQQH 	C22H35N9O8S	585.2329	NA	PeJP	NA	NA
+PJ006884	GNQMH 	C22H35N9O8S	585.233	NA	PeJP	NA	NA
+PJ006885	ATEEH 	C23H35N7O11	585.2395	NA	PeJP	NA	NA
+PJ006886	APMMH 	C24H39N7O6S2	585.2403	NA	PeJP	NA	NA
+PJ006887	GSPYY 	C28H35N5O9	585.2435	NA	PeJP	NA	NA
+PJ006888	GCNHR 	C21H35N11O7S	585.2442	NA	PeJP	NA	NA
+PJ006889	ATTMY 	C25H39N5O9S	585.2469	NA	PeJP	NA	NA
+MJ083395	Bluensomycin 	C21H39N5O14	585.24935	NA	MeJP	NA	NA
+C17573	Bluensomycin	C21H39N5O14	585.2494	NA	KEGG	NA	NA
+PJ006890	SSQQH 	C22H35N9O10	585.2507	NA	PeJP	NA	NA
+PJ006891	GPEHF 	C27H35N7O8	585.2547	NA	PeJP	NA	NA
+PJ006892	GLEMH 	C24H39N7O8S	585.2581	NA	PeJP	NA	NA
+PJ006893	AFYW 	C32H35N5O6	585.2588	NA	PeJP	NA	NA
+MJ083396	5'-Hydroxy-2''-N-demethyldihydrostreptomycin 	C20H39N7O13	585.260584	NA	MeJP	NA	NA
+PJ006894	AAMFF 	C29H39N5O6S	585.2621	NA	PeJP	NA	NA
+PJ006895	TTTTY 	C25H39N5O11	585.2646	NA	PeJP	NA	NA
+PJ006896	PPCNR 	C23H39N9O7S	585.2693	NA	PeJP	NA	NA
+PJ006897	GGPPCR 	C23H39N9O7S	585.2694	NA	PeJP	NA	NA
+PJ006898	PHFW 	C31H35N7O5	585.27	NA	PeJP	NA	NA
+PJ006899	LMHW 	C28H39N7O5S	585.2734	NA	PeJP	NA	NA
+PJ006900	STLEH 	C24H39N7O10	585.2759	NA	PeJP	NA	NA
+PJ006901	GVHHH 	C25H35N11O6	585.2772	NA	PeJP	NA	NA
+8244	Antioxidative peptide	GWNIP	585.2789	NA  ;SYN:(+)-Aspartate; (+)-Aspartic acid; (2S)-Aspartate; (2S)-Aspartic acid; (L)-Aspartate; (L)-Aspartic acid; (R)-2-aminosuccinate; (S)-(+)-Aspartate; (S)-(+)-Aspartic acid; (S)-2-aminosuccinate; (S)-2-aminosuccinic acid; (S)-Aminobutanedioate; (S)-Aminobutanedioic acid; (S)-Aspartate; (S)-Aspartic acid; (S)-amino-Butanedioate; (S)-amino-Butanedioic acid; 2-Amino-3-methylsuccinate; 2-Amino-3-methylsuccinic acid; 2-Aminosuccinate; 2-Aminosuccinic acid; Aminosuccinate;  Asp; Asparagate; Asparagic acid; Asparaginate; Asparaginic acid; Asparatate; Aspartate; H-Asp-OH; L-(+)-Aspartate; L-(+)-Aspartic acid; L-Aminosuccinate; L-Aminosuccinic acid; L-Asparagate; L-Asparagic acid; L-Asparaginate; L-Asparaginic acid; L-Aspartate; alpha-Aminosuccinate; alpha-Aminosuccinic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ083397	4,7-Bis(dimethylamino)-9-[[[(1,1-dimethylethyl)amino]acetyl]amino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide 	C29H39N5O8	585.279863	NA	MeJP	NA	NA
+C12012	Tigecycline	C29H39N5O8	585.2799	NA	KEGG	NA	NA
+PJ006902	LQYY 	C29H39N5O8	585.2799	NA	PeJP	NA	NA
+7571	ACE inhibitor from myosin heavy chain	MNPPK	585.2813	antioxidative	Inhouse_peptide	NA	peptide
+PJ006903	PPLEM 	C26H43N5O8S	585.2833	NA	PeJP	NA	NA
+7719	NA	EPAWSNLGIW~	585.28445	MH2+	Inhouse_peptide	NA	peptide
+C06820	Amikacin	C22H43N5O13	585.2857	NA	KEGG	NA	NA
+MJ083398	Amikacin 	C22H43N5O13	585.285736	NA	MeJP	NA	NA
+PJ006904	GPQER 	C23H39N9O9	585.2871	NA	PeJP	NA	NA
+PJ006905	HHHR 	C24H35N13O5	585.2884	NA	PeJP	NA	NA
+PJ006906	GPVQW 	C28H39N7O7	585.2911	NA	PeJP	NA	NA
+MJ083399	Pyroaconitine 	C32H43NO9	585.293781	NA	MeJP	NA	NA
+PJ006907	SVLMH 	C25H43N7O7S	585.2945	NA	PeJP	NA	NA
+PJ006908	PVLEE 	C26H43N5O10	585.301	NA	PeJP	NA	NA
+PJ006909	PQRW 	C27H39N9O6	585.3024	NA	PeJP	NA	NA
+MJ083400	Terdecamycin 	C31H43N3O8	585.305015	NA	MeJP	NA	NA
+PJ006910	ACKKH 	C24H43N9O6S	585.3057	NA	PeJP	NA	NA
+EUR918	Lyso PE 22:6 [M-H+acetate]-	C27H44NO7P	585.306642	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR918	Lyso PE 22:6 [M-H+acetate]-	C27H44NO7P	585.306642	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR918	Lyso PE 22:6 [M-H+acetate]-	C27H44NO7P	585.306642	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR918	Lyso PE 22:6 [M-H+acetate]-	C27H44NO7P	585.306642	masses lipides attendues	Inhousejuil11	NA	NA
+PJ006911	PVNKE 	C25H43N7O9	585.3122	NA	PeJP	NA	NA
+PJ006912	GGPVKE 	C25H43N7O9	585.3123	NA	PeJP	NA	NA
+MJ083401	Nummularine P; N?-Formyl 	C30H43N5O7	585.316248	NA	MeJP	NA	NA
+PJ006913	LKYY 	C30H43N5O7	585.3163	NA	PeJP	NA	NA
+MJ083402	Matlystatin A1; N-Deoxy 	C27H47N5O7S	585.319619	NA	MeJP	NA	NA
+PJ006914	GPKER 	C24H43N9O8	585.3235	NA	PeJP	NA	NA
+PJ006915	GPVKW 	C29H43N7O6	585.3275	NA	PeJP	NA	NA
+MJ083403	Chasmanine; 14-O-(4-Methoxybenzoyl) 	C33H47NO8	585.330167	NA	MeJP	NA	NA
+PJ006916	GPTRR 	C23H43N11O7	585.3347	NA	PeJP	NA	NA
+PJ006917	PKRW 	C28H43N9O5	585.3387	NA	PeJP	NA	NA
+MJ083404	Janthitrem E; 10-Ketone, 22-deoxy 	C37H47NO5	585.345423	NA	MeJP	NA	NA
+MJ083405	Janthitrem E; 34-Deoxy, 34,35-didehydro 	C37H47NO5	585.345423	NA	MeJP	NA	NA
+MJ083406	Penitremone C 	C37H47NO5	585.345423	NA	MeJP	NA	NA
+PJ006918	PVDKK 	C26H47N7O8	585.3486	NA	PeJP	NA	NA
+PJ006919	GGGVVVV 	C26H47N7O8	585.3487	NA	PeJP	NA	NA
+MJ083407	Antibiotic B 2847àL 	C30H51NO10	585.351296	NA	MeJP	NA	NA
+PJ006920	PPLLF 	C31H47N5O6	585.3527	NA	PeJP	NA	NA
+PJ006921	PLLLM 	C28H51N5O6S	585.356	NA	PeJP	NA	NA
+PJ006922	SPVKR 	C25H47N9O7	585.3599	NA	PeJP	NA	NA
+MJ083408	Angiolam A; 6'-Ketone 	C34H51NO7	585.366552	NA	MeJP	NA	NA
+3618	NA	KTPKI	585.371	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006923	AALRR 	C24H47N11O6	585.3711	NA	PeJP	NA	NA
+PJ006924	VLLLE 	C28H51N5O8	585.3738	NA	PeJP	NA	NA
+EUR920	Lyso PE 24:1 [M+Na]+	C29H58NO7P	585.377038	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR920	Lyso PE 24:1 [M+Na]+	C29H58NO7P	585.377038	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR920	Lyso PE 24:1 [M+Na]+	C29H58NO7P	585.377038	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR920	Lyso PE 24:1 [M+Na]+	C29H58NO7P	585.377038	masses lipides attendues	Inhousejuil11	NA	NA
+MJ083409	Myrophine 	C38H51NO4	585.381809	NA	MeJP	NA	NA
+PJ006925	VRRR 	C23H47N13O5	585.3823	NA	PeJP	NA	NA
+PJ006926	PTLKK 	C27H51N7O7	585.385	NA	PeJP	NA	NA
+PJ006927	GLLKR 	C26H51N9O6	585.3963	NA	PeJP	NA	NA
+PJ006928	VVLKK 	C28H55N7O6	585.4214	NA	PeJP	NA	NA
+2978	kinetensin	IARRHPYFL	585.82395	MH2+	Inhouse_peptide	NA	peptide
+MJ083410	Fludazonium(1+), Chloride 	C26H20Cl5FN2O2	585.995144	NA	MeJP	NA	NA
+C08105	Cefonicid sodium	C18H16N6O8S3	585.9987	NA	KEGG	NA	NA
+MJ083411	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-(O-Sulfo-?-D-glucuronopyranoside) 	C23H22O16S	586.062855	NA	MeJP	NA	NA
+MJ083412	Bartramiaflavone 	C30H18O13	586.07474	NA	MeJP	NA	NA
+MJ083413	3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-L-arabinopyranoside] 	C27H22O15	586.09587	NA	MeJP	NA	NA
+FL5FACGS0047	Quercetin 3-(2''-galloyl-alpha-L-arabinopyranoside)	C27H22O15	586.09587	128700-95-8	knapsack	NA	NA
+MJ083414	?-Actinorhodin 	C31H22O12	586.111126	NA	MeJP	NA	NA
+PJ006929	GSCCCD 	C18H30N6O10S3	586.1186	NA	PeJP	NA	NA
+FL2FAAGS0010	Prunin 6''-O-gallate	C28H26O14	586.13225	54835-98-2	knapsack	NA	NA
+MJ083415	4',5,7-Trihydroxyflavanone, 7-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-D-glucopyranoside] 	C28H26O14	586.132255	NA	MeJP	NA	NA
+MJ083416	4',5,7-Trihydroxyflavanone, 7-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H26O14	586.132255	NA	MeJP	NA	NA
+PJ006930	CCCQM 	C19H34N6O7S4	586.1372	NA	PeJP	NA	NA
+MJ083417	Protosappanin E1 	C32H26O11	586.147511	NA	MeJP	NA	NA
+PJ006931	CCCCR 	C18H34N8O6S4	586.1484	NA	PeJP	NA	NA
+PJ006932	GSSCCM 	C19H34N6O9S3	586.155	NA	PeJP	NA	NA
+C09767	Amarogentin	C29H30O13	586.1686	NA	KEGG	NA	NA
+C10870	Phyllanthostatin A	C29H30O13	586.1686	NA	KEGG	NA	NA
+MJ083418	3,5-Di-O-caffeoylquinic acid; 1-O-(2-Methylpropanoyl) 	C29H30O13	586.168641	NA	MeJP	NA	NA
+MJ083419	Phyllanthostatin A 	C29H30O13	586.168641	NA	MeJP	NA	NA
+MJ083420	Sweroside; 2'-O-(3,3',5-Trihydroxy-2-biphenylcarboxylate) 	C29H30O13	586.168641	NA	MeJP	NA	NA
+PJ006933	SSSTCC 	C19H34N6O11S2	586.1727	NA	PeJP	NA	NA
+PJ006934	CCCKM 	C20H38N6O6S4	586.1736	NA	PeJP	NA	NA
+MJ083421	Cordifoline 	C28H30N2O12	586.179874	NA	MeJP	NA	NA
+MJ083422	Santalin Y 	C33H30O10	586.183897	NA	MeJP	NA	NA
+MJ083423	Polyoxin K 	C22H30N6O13	586.187085	NA	MeJP	NA	NA
+PJ006935	GCNMY 	C23H34N6O8S2	586.188	NA	PeJP	NA	NA
+MJ083424	2-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid 	C32H31ClN4O5	586.198297	NA	MeJP	NA	NA
+PJ006936	SNDDH 	C21H30N8O12	586.1983	NA	PeJP	NA	NA
+PJ006937	GGSDDH 	C21H30N8O12	586.1984	NA	PeJP	NA	NA
+MJ083425	Blestrianol B; 9',10'-Didehydro 	C37H30O7	586.199153	NA	MeJP	NA	NA
+PJ006938	PCCQH 	C22H34N8O7S2	586.1992	NA	PeJP	NA	NA
+MJ083426	5,6-Dibromocholestan-3-ol, Ac 	C29H48Br2O2	586.202106	NA	MeJP	NA	NA
+MJ083427	Physalin E; 7-Ac 	C30H34O12	586.205026	NA	MeJP	NA	NA
+MJ083428	Quiflapon 	C34H35ClN2O3S	586.205691	NA	MeJP	NA	NA
+PJ006939	SSCQY 	C23H34N6O10S	586.2057	NA	PeJP	NA	NA
+MJ083429	7-Hydro-8-methylpteroylglutamylglutamic acid 	C25H30N8O9	586.213574	NA	MeJP	NA	NA
+PJ006940	GNEMH 	C22H34N8O9S	586.217	NA	PeJP	NA	NA
+MJ083430	6,6'-[Oxybis(tetrahydro-2H-pyran-2,5-diyl)]bis[2-methoxy-7-methyl-1,4-naphthalenedione] 	C34H34O9	586.220282	NA	MeJP	NA	NA
+PJ006941	GCNFF 	C27H34N6O7S	586.221	NA	PeJP	NA	NA
+MJ083431	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac 	C22H38N2O16	586.222133	NA	MeJP	NA	NA
+MJ083432	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?3)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?6)]-D-galactose; N,N'-Di-Ac 	C22H38N2O16	586.222133	NA	MeJP	NA	NA
+MJ083433	2-Amino-2-deoxy-?-D-glucopyranosyl-(1?6)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac 	C22H38N2O16	586.222133	NA	MeJP	NA	NA
+MJ083434	2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?3)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac 	C22H38N2O16	586.222133	NA	MeJP	NA	NA
+MJ083435	2-Amino-2-deoxy-?-D-galactopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac 	C22H38N2O16	586.222133	NA	MeJP	NA	NA
+MJ083436	2-Amino-2-deoxy-?-D-galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose; N,N'-Di-Ac 	C22H38N2O16	586.222133	NA	MeJP	NA	NA
+PJ006942	GSSSSY 	C23H34N6O12	586.2235	NA	PeJP	NA	NA
+PJ006943	ACCKY 	C24H38N6O7S2	586.2244	NA	PeJP	NA	NA
+MJ083437	Laciniatoside V 	C27H38O14	586.226155	NA	MeJP	NA	NA
+MJ083438	Sylvestroside IV; 3?-Alcohol (lactol) 	C27H38O14	586.226155	NA	MeJP	NA	NA
+MJ083439	Sylvestroside IV; 7'-Alcohol 	C27H38O14	586.226155	NA	MeJP	NA	NA
+PJ006944	EEFY 	C28H34N4O10	586.2275	NA	PeJP	NA	NA
+PJ006945	GCDHR 	C21H34N10O8S	586.2282	NA	PeJP	NA	NA
+PJ006946	NMHW 	C26H34N8O6S	586.2322	NA	PeJP	NA	NA
+PJ006947	SSQEH 	C22H34N8O11	586.2347	NA	PeJP	NA	NA
+PJ006948	GGGGGGPE 	C22H34N8O11	586.2348	NA	PeJP	NA	NA
+PJ006949	PCCKH 	C23H38N8O6S2	586.2356	NA	PeJP	NA	NA
+PJ006950	NQYY 	C27H34N6O9	586.2387	NA	PeJP	NA	NA
+PJ006951	GGGAYY 	C27H34N6O9	586.2388	NA	PeJP	NA	NA
+C11900	Baccatin III	C31H38O11	586.2414	NA	KEGG	NA	NA
+MJ083440	21-Hydroxytoonacilide 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083441	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 13-Ketone, 2-benzoyl, 4,10-di-Ac 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083442	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 1,4-di-Ac 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083443	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4,10-di-Ac 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083444	Angolensic acid; 6,12?-Diacetoxy, Me ester 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083445	Buddlenol B; 7,8-Dihydro 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083446	Humilinolide C; 6R-Acetoxy, 2,3-dideacyl, 3-Ac 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083447	Severinolide 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MJ083448	Tyledoside F; 2'-Ketone, 12-oxo 	C31H38O11	586.241412	NA	MeJP	NA	NA
+MetaCyc03917	baccatin III []	C31H38O11	586.241412	NA	metacyc	NA	NA
+PJ006952	SSCKY 	C24H38N6O9S	586.2421	NA	PeJP	NA	NA
+MJ083449	Urabaine; 3-Methoxy 	C37H34N2O5	586.246772	NA	MeJP	NA	NA
+MJ083450	Antibiotic FR 183737 	C26H42N4O7S2	586.249491	NA	MeJP	NA	NA
+PJ006953	GSTHW 	C26H34N8O8	586.25	NA	PeJP	NA	NA
+PJ006954	PPCDR 	C23H38N8O8S	586.2534	NA	PeJP	NA	NA
+PJ006955	GPPMW 	C28H38N6O6S	586.2574	NA	PeJP	NA	NA
+PJ006956	PVNEE 	C24H38N6O11	586.2599	NA	PeJP	NA	NA
+MJ083451	11-Taxene-1,2,4,5,7,9,10,13,20-nonol, 7,9,10,13-Tetra-Ac 	C28H42O13	586.262541	NA	MeJP	NA	NA
+MJ083452	Javanicinoside K 	C28H42O13	586.262541	NA	MeJP	NA	NA
+MJ083453	Pipacycline 	C29H38N4O9	586.263878	NA	MeJP	NA	NA
+PJ006957	LEYY 	C29H38N4O9	586.2639	NA	PeJP	NA	NA
+PJ006958	GSMHR 	C22H38N10O7S	586.2646	NA	PeJP	NA	NA
+PJ006959	HHFF 	C30H34N8O5	586.2652	NA	PeJP	NA	NA
+MJ083454	Vincamajine; O-(3,4,5-Trimethoxycinnamoyl) 	C34H38N2O7	586.267901	NA	MeJP	NA	NA
+PJ006960	GPEER 	C23H38N8O10	586.2711	NA	PeJP	NA	NA
+PJ006961	GPVEW 	C28H38N6O8	586.2751	NA	PeJP	NA	NA
+MJ083455	Azedarachin C 	C32H42O10	586.277797	NA	MeJP	NA	NA
+MJ083456	EP6 	C32H42O10	586.277797	NA	MeJP	NA	NA
+MJ083457	Gnidilatidin; 12-Debenzoyl, 12-Ac 	C32H42O10	586.277797	NA	MeJP	NA	NA
+MJ083458	Heudebolin 	C32H42O10	586.277797	NA	MeJP	NA	NA
+MJ083459	Isoazadirolide 	C32H42O10	586.277797	NA	MeJP	NA	NA
+MJ083460	Khivorin 	C32H42O10	586.277797	NA	MeJP	NA	NA
+MJ083461	Nimbocinolide 	C32H42O10	586.277797	NA	MeJP	NA	NA
+PJ006962	PPDKM 	C25H42N6O8S	586.2785	NA	PeJP	NA	NA
+C05786	(3Z)-Phycocyanobilin	C33H38N4O6	586.2791	NA	KEGG	NA	NA
+C05912	(3Z)-Phycoerythrobilin	C33H38N4O6	586.2791	NA	KEGG	NA	NA
+C16641	Irinotecan	C33H38N4O6	586.2791	NA	KEGG	NA	NA
+MJ083462	1-[2-Methoxy-4-[[1-[(2-methyl-1-oxido-3-pyridinyl)methyl]-4-piperidinyl]oxy]benzoyl]-4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidine 	C33H38N4O6	586.279134	NA	MeJP	NA	NA
+MJ083463	Irinotecan 	C33H38N4O6	586.279134	NA	MeJP	NA	NA
+MetaCyc03918	(3Z)-phycoerythrobilin []	C33H38N4O6	586.279135	NA	metacyc	NA	NA
+PJ006963	SSTHR 	C22H38N10O9	586.2823	NA	PeJP	NA	NA
+PJ006964	GGSPNR 	C22H38N10O9	586.2824	NA	PeJP	NA	NA
+PJ006965	PERW 	C27H38N8O7	586.2864	NA	PeJP	NA	NA
+MJ083464	15-Anhydrothyrsiferol; 10-Epimer 	C30H51BrO6	586.286902	NA	MeJP	NA	NA
+MJ083465	15-Anhydrothyrsiferol; 18,19-Diepimer 	C30H51BrO6	586.286902	NA	MeJP	NA	NA
+MJ083466	15-Anhydrothyrsiferol; ?15(28)-Isomer 	C30H51BrO6	586.286902	NA	MeJP	NA	NA
+MJ083467	Enshuol 	C30H51BrO6	586.286902	NA	MeJP	NA	NA
+MJ083468	Isodehydrothyrsiferol 	C30H51BrO6	586.286902	NA	MeJP	NA	NA
+PJ006966	SPPMR 	C24H42N8O7S	586.2897	NA	PeJP	NA	NA
+PJ006967	PVWW 	C32H38N6O5	586.2904	NA	PeJP	NA	NA
+PJ006968	PVDKE 	C25H42N6O10	586.2963	NA	PeJP	NA	NA
+PJ006969	QHFR 	C26H38N10O6	586.2976	NA	PeJP	NA	NA
+20	Hemoglobin	WVPSV	586.3	celiac toxic	Inhouse_peptide	NA	peptide
+PJ006970	SPVER 	C24H42N8O9	586.3075	NA	PeJP	NA	NA
+PJ006971	APTLW 	C29H42N6O7	586.3115	NA	PeJP	NA	NA
+MJ083469	Havanensin; 16-Oxo, 1-Ac, 7-O-(2-hydroxy-3-methylbutanoyl) 	C33H46O9	586.314183	NA	MeJP	NA	NA
+MJ083470	Plagiochiline I; 13-(2E,4E,8Z-Tetradecatrienoyloxy), 12-hydroxy, Ac 	C33H46O9	586.314183	NA	MeJP	NA	NA
+MJ083471	Sordaricin; O-[2Z,4E-Hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] 	C33H46O9	586.314183	NA	MeJP	NA	NA
+C11954	5-Oxoavermectin ''2b'' aglycone	C33H46O9	586.3142	NA	KEGG	NA	NA
+PJ006972	PVLQM 	C26H46N6O7S	586.3149	NA	PeJP	NA	NA
+PJ006973	GVQQR 	C23H42N10O8	586.3187	NA	PeJP	NA	NA
+C01230	all-trans-Hexaprenyl diphosphate	C30H52O7P2	586.3188	NA	KEGG	NA	NA
+C03428	Presqualene diphosphate	C30H52O7P2	586.3188	NA	KEGG	NA	NA
+C03429	Protein 5-hydroxylysine	C7H13N3O3R2	586.3188	NA	KEGG	NA	NA
+C17434	di-trans,poly-cis-Hexaprenyl diphosphate	C30H52O7P2	586.3188	NA	KEGG	NA	NA
+PJ006974	GGGGALR 	C23H42N10O8	586.3188	NA	PeJP	NA	NA
+MJ083472	Presqualene diphosphate 	C30H52O7P2	586.318827	NA	MeJP	NA	NA
+MJ083473	all-trans-Hexaprenyl diphosphate 	C30H52O7P2	586.318827	NA	MeJP	NA	NA
+MJ083474	Presqualene alcohol; Diphosphate 	C30H52O7P2	586.318827	NA	MeJP	NA	NA
+MetaCyc03919	presqualene diphosphate []	C30H52O7P2	586.318827	NA	metacyc	NA	NA
+MetaCyc03920	all-trans-hexaprenyl diphosphate []	C30H52O7P2	586.318827	NA	metacyc	NA	NA
+HMDB01278	Presqualene diphosphate	C30H52O7P2	586.318848	NA	HMDB2010	NA	NA
+HMDB12188	All-trans-hexaprenyl diphosphate	C30H52O7P2	586.318848	NA	HMDB2010	NA	NA
+HMDB01278	Presqualene diphosphate	C30H52O7P2	586.31885	http://www.hmdb.ca/metabolites/HMDB01278	HMDB	NA	NA
+HMDB01278	Presqualene diphosphate	C30H52O7P2	586.31885	HMDB01278	PFEM_hmdb_metabocards_official	NA	NA
+3692	NA	EIPKT	586.319	ACE inhibitor	Inhouse_peptide	NA	peptide
+3693	NA	TKPIE	586.319	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ006975	APPFR 	C28H42N8O6	586.3228	NA	PeJP	NA	NA
+C08659	Anthranoyllycoctonine	C32H46N2O8	586.3254	NA	KEGG	NA	NA
+MJ083475	Delvestine 	C32H46N2O8	586.325416	NA	MeJP	NA	NA
+MJ083476	Lycoctonine; 18-O-(2-Aminobenzoyl) 	C32H46N2O8	586.325416	NA	MeJP	NA	NA
+PJ006976	APLMR 	C25H46N8O6S	586.3261	NA	PeJP	NA	NA
+MJ083477	Gambogin 	C37H46O6	586.329439	NA	MeJP	NA	NA
+PJ006977	QQRR 	C22H42N12O7	586.33	NA	PeJP	NA	NA
+MJ083478	C-Alkaloid D; Di-N-de-Me 	C38H42N4O2	586.330776	NA	MeJP	NA	NA
+MJ083479	Longicaudatine Z; 17'-Deoxy, 16',17'-didehydro, 18'-hydroxy 	C38H42N4O2	586.330776	NA	MeJP	NA	NA
+MJ083480	Matopensine; 18-Hydroxy 	C38H42N4O2	586.330776	NA	MeJP	NA	NA
+MJ083481	Matopensine; Mono-N-oxide 	C38H42N4O2	586.330776	NA	MeJP	NA	NA
+PJ006978	PTLKE 	C26H46N6O9	586.3326	NA	PeJP	NA	NA
+PJ006979	VVLQE 	C26H46N6O9	586.3327	NA	PeJP	NA	NA
+PJ006980	KHFR 	C27H42N10O5	586.334	NA	PeJP	NA	NA
+MJ083482	Byssomeruliol A; 12'-O-D-Mannopyranoside 	C30H50O11	586.335312	NA	MeJP	NA	NA
+MJ083483	Byssomeruliol A; 14'-O-D-Mannopyranoside 	C30H50O11	586.335312	NA	MeJP	NA	NA
+PJ006981	GLLER 	C25H46N8O8	586.3439	NA	PeJP	NA	NA
+PJ006982	GVLLW 	C30H46N6O6	586.3479	NA	PeJP	NA	NA
+MJ083484	6,6'-Biembelin 	C34H50O8	586.350568	NA	MeJP	NA	NA
+MJ083485	Onchitriol I; 4,13-Diepimer, 15-Ac 	C34H50O8	586.350568	NA	MeJP	NA	NA
+MJ083486	Tetronomycin 	C34H50O8	586.350568	NA	MeJP	NA	NA
+C11969	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2a'' aglycone	C34H50O8	586.3506	NA	KEGG	NA	NA
+PJ006983	PVLKM 	C27H50N6O6S	586.3513	NA	PeJP	NA	NA
+PJ006984	GVQKR 	C24H46N10O7	586.3551	NA	PeJP	NA	NA
+PJ006985	LLRW 	C29H46N8O5	586.3591	NA	PeJP	NA	NA
+MJ083487	Sampsonione A 	C38H50O5	586.365824	NA	MeJP	NA	NA
+MJ083488	Sampsonione D; 22,23-Dihydro, 22-hydroxy 	C38H50O5	586.365824	NA	MeJP	NA	NA
+MJ083489	Sampsonione F 	C38H50O5	586.365824	NA	MeJP	NA	NA
+MJ083490	Sampsonione K 	C38H50O5	586.365824	NA	MeJP	NA	NA
+MJ083491	Sampsonione M 	C38H50O5	586.365824	NA	MeJP	NA	NA
+PJ006986	QKRR 	C23H46N12O6	586.3664	NA	PeJP	NA	NA
+PJ006987	VVLKE 	C27H50N6O8	586.369	NA	PeJP	NA	NA
+MJ083492	Sansalvamide 	C32H50N4O6	586.373035	NA	MeJP	NA	NA
+PJ006988	SVLLR 	C26H50N8O7	586.3803	NA	PeJP	NA	NA
+MJ083493	12-Oleanene-3,16,21,22,23,28-hexol, 23-Aldehyde, 22-angeloyl 	C35H54O7	586.386954	NA	MeJP	NA	NA
+MJ083494	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 2-Me ether, 3,23-di-Ac 	C35H54O7	586.386954	NA	MeJP	NA	NA
+MJ083495	3,7,22-Trihydroxylanosta-8,24-dien-26-oic acid, 3,22-Di-Ac, 7-Me ether 	C35H54O7	586.386954	NA	MeJP	NA	NA
+MJ083496	3-Hydroxy-12,18-ursadien-28-oic acid, 3-O-?-D-Xylofuranoside 	C35H54O7	586.386954	NA	MeJP	NA	NA
+MJ083497	Conyaegyptin 	C35H54O7	586.386954	NA	MeJP	NA	NA
+MJ083498	Nidohottin; 6-Hydroxy 	C35H54O7	586.386954	NA	MeJP	NA	NA
+C08957	Ilexolide A	C35H54O7	586.387	NA	KEGG	NA	NA
+PJ006989	GVKKR 	C25H50N10O6	586.3915	NA	PeJP	NA	NA
+MJ083499	20(29)-Lupene-3,28-diol, 28-O-Aldehyde, 3-O-(4-hydroxy-E-cinnamoyl) 	C39H54O4	586.40221	NA	MeJP	NA	NA
+PJ006990	KKRR 	C24H50N12O5	586.4027	NA	PeJP	NA	NA
+PJ006991	TLLLK 	C28H54N6O7	586.4054	NA	PeJP	NA	NA
+PJ006992	ALKKK 	C27H54N8O6	586.4167	NA	PeJP	NA	NA
+MJ083500	2,3,22-Stictanetriol, Tri-Ac 	C36H58O6	586.423339	NA	MeJP	NA	NA
+MJ083501	4,9,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 13-Hexadecanoyl 	C36H58O6	586.423339	NA	MeJP	NA	NA
+MJ083502	Ingenol; 20-Hexadecanoyl 	C36H58O6	586.423339	NA	MeJP	NA	NA
+MJ083503	Ingenol; 3-Hexadecanoyl 	C36H58O6	586.423339	NA	MeJP	NA	NA
+MJ083504	24-Methylenecycloartan-3-ol, 3-(4-Hydroxy-E-cinnamoyl) 	C40H58O3	586.438595	NA	MeJP	NA	NA
+MJ083505	5,6-Dihydro-?,?-carotene-3,3',5-triol 	C40H58O3	586.438595	NA	MeJP	NA	NA
+MJ083506	Micromonol 	C40H58O3	586.438595	NA	MeJP	NA	NA
+MJ083507	6,14,22,30,32-Pentahydroxy-8,16,24-tritriacontanetrione 	C33H62O8	586.444468	NA	MeJP	NA	NA
+C16785	PM-toxin B	C33H62O8	586.4445	NA	KEGG	NA	NA
+HMDB07027	DG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07054	DG(14:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07055	DG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07135	DG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07331	DG(18:4(6Z,9Z,12Z,15Z)/16:1(9Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07502	DG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07531	DG(20:4(8Z,11Z,14Z,17Z)/14:1(9Z)/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+HMDB07559	DG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/0:0)	C37H62O5	586.459717	NA	HMDB2010	NA	NA
+MJ083508	1,2-Dihydro-1-methoxy-?,?-caroten-4-one; 7',8',11',12'-Tetrahydro 	C41H62O2	586.474981	NA	MeJP	NA	NA
+MJ083509	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Hexaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol, 3,4-Dihydro 	C41H62O2	586.474981	NA	MeJP	NA	NA
+MJ083510	2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol 	C41H62O2	586.474981	NA	MeJP	NA	NA
+MJ083511	Bacteriopurpurin; 3,4,7,8-Tetrahydro 	C41H62O2	586.474981	NA	MeJP	NA	NA
+C15887	3',4'-Dihydrorhodovibrin	C41H62O2	586.475	NA	KEGG	NA	NA
+C15902	Hydroxyspheroidene	C41H62O2	586.475	NA	KEGG	NA	NA
+MJ083512	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, 4'-Me ether, octacosyl ester 	C38H66O4	586.49611	NA	MeJP	NA	NA
+MJ083513	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Octacosyl ester 	C38H66O4	586.49611	NA	MeJP	NA	NA
+MJ083514	2-Alkenyl-4,6-dimethoxyphenols; 2-(22-Hentriacontenyl)-4,6-dimethoxyphenol 	C39H70O3	586.532496	NA	MeJP	NA	NA
+MJ083515	5-Alkenyl-2,6-dimethoxyphenols; 4-(22-Hentriacontenyl)-2,6-dimethoxyphenol 	C39H70O3	586.532496	NA	MeJP	NA	NA
+2846	orphanin FQ/nociceptin analog [FQ/N (1-11)]	FGGFTGARKYA	586.789	MH2+	Inhouse_peptide	NA	peptide
+MJ083516	Adenosine tetraphosphate 	C10H17N5O16P4	586.962075	NA	MeJP	NA	NA
+MetaCyc03921	adenosine tetraphosphate [Adenosine 5'-tetraphosphate;]	C10H17N5O16P4	586.962076	58337-43-2	metacyc	NA	NA
+HMDB01364	Adenosine tetraphosphate	C10H17N5O16P4	586.962097	NA	HMDB2010	NA	NA
+HMDB01364	Adenosine tetraphosphate	C10H17N5O16P4	586.9621	http://www.hmdb.ca/metabolites/HMDB01364	HMDB	NA	NA
+C03483	Adenosine tetraphosphate	C10H17N5O16P4	586.9621	NA	KEGG	NA	NA
+C03484	Apyrimidinic site in DNA	C10H17N5O16P4	586.9621	NA	KEGG	NA	NA
+HMDB01364	Adenosine tetraphosphate	C10H17N5O16P4	586.9621	HMDB01364	PFEM_hmdb_metabocards_official	NA	NA
+MJ083517	GDP-4-dehydro-6-deoxy-D-mannose 	C16H23N5O15P2	587.066588	NA	MeJP	NA	NA
+MJ083518	GDP-4-dehydro-6-deoxy-L-mannose 	C16H23N5O15P2	587.066588	NA	MeJP	NA	NA
+MJ083519	GDP-4-oxo-L-fucose 	C16H23N5O15P2	587.066588	NA	MeJP	NA	NA
+MetaCyc03922	GDP-4-dehydro-6-L-deoxygalactose [GDP-4-keto-6-L-deoxygalactose;]	C16H23N5O15P2	587.066588	NA	metacyc	NA	NA
+MetaCyc03923	GDP-4-dehydro-6-deoxy-D-mannose [GDP-4-keto-6-deoxymannose;GDP-4-keto-6-deoxy-D-mannose;GDP-4-dehydro-6-deoxy-D-talose;GDP-4-oxo-6-deoxy-D-mannose;GDP-4-oxo-6-deoxymannose;]	C16H23N5O15P2	587.066588	NA	metacyc	NA	NA
+HMDB01346	GDP-4-Dehydro-6-deoxy-D-mannose	C16H23N5O15P2	587.066589	NA	HMDB2010	NA	NA
+HMDB01391	GDP-4-Dehydro-6-L-deoxygalactose	C16H23N5O15P2	587.066589	NA	HMDB2010	NA	NA
+HMDB01346	GDP-4-Dehydro-6-deoxy-D-mannose	C16H23N5O15P2	587.06659	http://www.hmdb.ca/metabolites/HMDB01346	HMDB	NA	NA
+HMDB01346	GDP-4-Dehydro-6-deoxy-D-mannose	C16H23N5O15P2	587.06659	HMDB01346	PFEM_hmdb_metabocards_official	NA	NA
+C01222	GDP-4-dehydro-6-deoxy-D-mannose	C16H23N5O15P2	587.0666	NA	KEGG	NA	NA
+C05344	GDP-4-dehydro-6-deoxy-L-mannose	C16H23N5O15P2	587.0666	NA	KEGG	NA	NA
+C14830	GDP-4-keto-6-L-deoxygalactose	C16H23N5O15P2	587.0666	NA	KEGG	NA	NA
+PJ006993	CCCEM 	C19H33N5O8S4	587.1212	NA	PeJP	NA	NA
+MJ083520	Deacylconvolutamide; N-Hexadecanoyl 	C26H39Br2NO4	587.124584	NA	MeJP	NA	NA
+MJ083521	N-[2,3-Dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-1,4-benzodiazepin-3-yl]-2,4-bis(trifluoromethyl)benzeneacetamide 	C27H18F9N3O2	587.12553	NA	MeJP	NA	NA
+MJ083522	Dihydroxanthommatin, 5-O-?-D-Glucopyranoside 	C26H25N3O13	587.138737	NA	MeJP	NA	NA
+PJ006994	PCCCY 	C23H33N5O7S3	587.1542	NA	PeJP	NA	NA
+PJ006995	TCCMM 	C20H37N5O7S4	587.1576	NA	PeJP	NA	NA
+PJ006996	GCDMY 	C23H33N5O9S2	587.172	NA	PeJP	NA	NA
+PJ006997	SDDDH 	C21H29N7O13	587.1824	NA	PeJP	NA	NA
+PJ006998	PCCEH 	C22H33N7O8S2	587.1832	NA	PeJP	NA	NA
+PJ006999	SSCEY 	C23H33N5O11S	587.1897	NA	PeJP	NA	NA
+PJ007000	GCMMF 	C24H37N5O6S3	587.1906	NA	PeJP	NA	NA
+PJ007001	GDEMH 	C22H33N7O10S	587.201	NA	PeJP	NA	NA
+PJ007002	GCDFF 	C27H33N5O8S	587.205	NA	PeJP	NA	NA
+PJ007003	GSMMY 	C24H37N5O8S2	587.2084	NA	PeJP	NA	NA
+PJ007004	SCNQH 	C21H33N9O9S	587.2122	NA	PeJP	NA	NA
+PJ007005	DMHW 	C26H33N7O7S	587.2162	NA	PeJP	NA	NA
+PJ007006	SSEEH 	C22H33N7O12	587.2187	NA	PeJP	NA	NA
+PJ007007	GGPNDE 	C22H33N7O12	587.2188	NA	PeJP	NA	NA
+PJ007008	PTCMH 	C23H37N7O7S2	587.2196	NA	PeJP	NA	NA
+PJ007009	NEYY 	C27H33N5O10	587.2228	NA	PeJP	NA	NA
+HMDB01445	N-Acetyl-D-glucosaminyldiphosphodolichol	C23H43NO12P2	587.22607	http://www.hmdb.ca/metabolites/HMDB01445	HMDB	NA	NA
+HMDB01445	N-Acetyl-D-glucosaminyldiphosphodolichol	C23H43NO12P2	587.22607	HMDB01445	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01445	N-Acetyl-D-glucosaminyldiphosphodolichol	C23H43NO12P2	587.226074	NA	HMDB2010	NA	NA
+PJ007010	SSTMY 	C24H37N5O10S	587.2261	NA	PeJP	NA	NA
+PJ007011	GSSSNH 	C21H33N9O11	587.23	NA	PeJP	NA	NA
+PJ007012	GPNDW 	C26H33N7O9	587.234	NA	PeJP	NA	NA
+MJ083523	8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol, 3-O-(3,4,5-Trimethoxy-E-cinnamoyl), 6-O-(3,4,5-trimethoxybenzoyl) 	C30H37NO11	587.236661	NA	MeJP	NA	NA
+MJ083524	Nothramicin 	C30H37NO11	587.236661	NA	MeJP	NA	NA
+PJ007013	ATEMH 	C23H37N7O9S	587.2374	NA	PeJP	NA	NA
+PJ007014	GYYW 	C31H33N5O7	587.238	NA	PeJP	NA	NA
+PJ007015	QMFY 	C28H37N5O7S	587.2414	NA	PeJP	NA	NA
+PJ007016	PVDEE 	C24H37N5O12	587.2439	NA	PeJP	NA	NA
+PJ007017	GNNHF 	C25H33N9O8	587.2452	NA	PeJP	NA	NA
+PJ007018	SCNKH 	C22H37N9O8S	587.2486	NA	PeJP	NA	NA
+MJ083525	4-(Benzoylamino)phenyl 7-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-4-heptenoate 	C34H37NO8	587.251917	NA	MeJP	NA	NA
+PJ007019	CFRY 	C27H37N7O6S	587.2526	NA	PeJP	NA	NA
+MJ083526	2,3,4,5-Tetrahydro-3-(1H-indazol-3-ylmethyl)-N-(4-methoxyphenyl)-N-(1-methylethyl)-2,4-dioxo-5-phenyl-1H-1,5-benzodiazepine-1-acetamide 	C35H33N5O4	587.253254	NA	MeJP	NA	NA
+PJ007020	TTTEH 	C23H37N7O11	587.2551	NA	PeJP	NA	NA
+MJ083527	Uscharin 	C31H41NO8S	587.255287	NA	MeJP	NA	NA
+PJ007021	GLMMH 	C24H41N7O6S2	587.256	NA	PeJP	NA	NA
+PJ007022	GTHHH 	C24H33N11O7	587.2565	NA	PeJP	NA	NA
+PJ007023	DKYY 	C28H37N5O9	587.2591	NA	PeJP	NA	NA
+PJ007024	PPPDY 	C28H37N5O9	587.2592	NA	PeJP	NA	NA
+PJ007025	ANQQQ 	C22H37N9O10	587.2663	NA	PeJP	NA	NA
+PJ007026	SPNDR 	C22H37N9O10	587.2664	NA	PeJP	NA	NA
+PJ007027	GPTQW 	C27H37N7O8	587.2704	NA	PeJP	NA	NA
+MJ083528	Polyschistine C 	C31H41NO10	587.273046	NA	MeJP	NA	NA
+PJ007028	PVNQM 	C24H41N7O8S	587.2737	NA	PeJP	NA	NA
+PJ007029	STLMH 	C24H41N7O8S	587.2738	NA	PeJP	NA	NA
+PJ007030	QFFF 	C32H37N5O6	587.2744	NA	PeJP	NA	NA
+PJ007031	GNNQR 	C21H37N11O9	587.2776	NA	PeJP	NA	NA
+PJ007032	KMFY 	C29H41N5O6S	587.2778	NA	PeJP	NA	NA
+PJ007033	PTLEE 	C25H41N5O11	587.2803	NA	PeJP	NA	NA
+PJ007034	PPLMM 	C26H45N5O6S2	587.2812	NA	PeJP	NA	NA
+PJ007035	EHFR 	C26H37N9O7	587.2816	NA	PeJP	NA	NA
+PJ007036	GPQMR 	C23H41N9O7S	587.285	NA	PeJP	NA	NA
+PJ007037	VHFW 	C31H37N7O5	587.2856	NA	PeJP	NA	NA
+PJ007038	SPQKE 	C24H41N7O10	587.2915	NA	PeJP	NA	NA
+PJ007039	PPVEF 	C29H41N5O8	587.2955	NA	PeJP	NA	NA
+PJ007040	GPCRR 	C22H41N11O6S	587.2962	NA	PeJP	NA	NA
+PJ007041	PVLEM 	C26H45N5O8S	587.2989	NA	PeJP	NA	NA
+PJ007042	GVQER 	C23H41N9O9	587.3027	NA	PeJP	NA	NA
+PJ007043	GGGLER 	C23H41N9O9	587.3028	NA	PeJP	NA	NA
+3429	NA	EILDV	587.3049	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ007044	GPTKW 	C28H41N7O7	587.3068	NA	PeJP	NA	NA
+MJ083529	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl 	C32H45NO9	587.309432	NA	MeJP	NA	NA
+MJ083530	Ludaconitine 	C32H45NO9	587.309432	NA	MeJP	NA	NA
+MJ083531	Virescenine; 9-Hydroxy, O1-Me, O14-(4-methoxybenzoyl), 	C32H45NO9	587.309432	NA	MeJP	NA	NA
+MJ083532	?-Lipomycin 	C32H45NO9	587.309432	NA	MeJP	NA	NA
+7469	coeliac toxic peptide	VVKVGGSSSLGW	587.31	MH2+	Inhouse_peptide	NA	peptide
+PJ007045	PVNKM 	C25H45N7O7S	587.3101	NA	PeJP	NA	NA
+PJ007046	GGPVKM 	C25H45N7O7S	587.3102	NA	PeJP	NA	NA
+MJ083533	Nummularine R 	C33H41N5O5	587.310769	NA	MeJP	NA	NA
+MJ083534	Sativanine E 	C33H41N5O5	587.310769	NA	MeJP	NA	NA
+PJ007047	KFFF 	C33H41N5O5	587.3108	NA	PeJP	NA	NA
+PJ007048	QERR 	C22H41N11O8	587.314	NA	PeJP	NA	NA
+PJ007049	VVLEE 	C26H45N5O10	587.3167	NA	PeJP	NA	NA
+PJ007050	VQRW 	C27H41N9O6	587.318	NA	PeJP	NA	NA
+2652	synthetic fr, of human beta-CN (168-172) ACE inhibitor	VLPYP	587.319	NA	Inhouse_peptide	NA	peptide
+PJ007051	GPKMR 	C24H45N9O6S	587.3214	NA	PeJP	NA	NA
+EUR767	Lyso PC 20:5 [M+FA-H]-	C28H48NO7P	587.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR767	Lyso PC 20:5 [M+FA-H]-	C28H48NO7P	587.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR767	Lyso PC 20:5 [M+FA-H]-	C28H48NO7P	587.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR767	Lyso PC 20:5 [M+FA-H]-	C28H48NO7P	587.321722	masses lipides attendues	Inhousejuil11	NA	NA
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR568	LysoPC(20:5)	[M+FA-H]-	587.321725	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR913	Lyso PE 22:5 [M-H+acetate]-	C27H46NO7P	587.322292	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR913	Lyso PE 22:5 [M-H+acetate]-	C27H46NO7P	587.322292	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR913	Lyso PE 22:5 [M-H+acetate]-	C27H46NO7P	587.322292	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR913	Lyso PE 22:5 [M-H+acetate]-	C27H46NO7P	587.322292	masses lipides attendues	Inhousejuil11	NA	NA
+3613	NA	RKLDG	587.3269	ACE inhibitor	Inhouse_peptide	NA	peptide
+3616	NA	KRLDG	587.3269	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ007052	SPKKE 	C25H45N7O9	587.3279	NA	PeJP	NA	NA
+PJ007053	ARRW 	C26H41N11O5	587.3292	NA	PeJP	NA	NA
+PJ007054	PPVLY 	C30H45N5O7	587.3319	NA	PeJP	NA	NA
+PJ007055	GVKER 	C24H45N9O8	587.3391	NA	PeJP	NA	NA
+PJ007056	GGGAAKK 	C24H45N9O8	587.3392	NA	PeJP	NA	NA
+MJ083535	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Valine analogue 	C29H45N7O6	587.343132	NA	MeJP	NA	NA
+PJ007057	AALKW 	C29H45N7O6	587.3432	NA	PeJP	NA	NA
+MJ083536	Jervine; O3-?-D-Glucopyranoside 	C33H49NO8	587.345817	NA	MeJP	NA	NA
+PJ007058	PCLKK 	C26H49N7O6S	587.3465	NA	PeJP	NA	NA
+PJ007059	KERR 	C23H45N11O7	587.3504	NA	PeJP	NA	NA
+PJ007060	TLLLE 	C27H49N5O9	587.353	NA	PeJP	NA	NA
+PJ007061	VKRW 	C28H45N9O5	587.3544	NA	PeJP	NA	NA
+2718	erythromycin inhibitor	MVIIL	587.3604	NA	Inhouse_peptide	NA	peptide
+MJ083537	Terpendole L 	C37H49NO5	587.361073	NA	MeJP	NA	NA
+PJ007062	TRRR 	C22H45N13O6	587.3616	NA	PeJP	NA	NA
+PJ007063	ALKKE 	C26H49N7O8	587.3643	NA	PeJP	NA	NA
+PJ007064	PVLLF 	C31H49N5O6	587.3683	NA	PeJP	NA	NA
+PJ007065	VLLLM 	C28H53N5O6S	587.3717	NA	PeJP	NA	NA
+PJ007066	ATLKR 	C25H49N9O7	587.3755	NA	PeJP	NA	NA
+MJ083538	Angiolam A 	C34H53NO7	587.382203	NA	MeJP	NA	NA
+PJ007067	SLLKK 	C27H53N7O7	587.4007	NA	PeJP	NA	NA
+PJ007068	GKKKK 	C26H53N9O6	587.4119	NA	PeJP	NA	NA
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR537	12 :0 SM F4	NA	587.432125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR537	12 :0 SM F4	NA	587.432125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR537	12 :0 SM F4	NA	587.432125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR537	12 :0 SM F4	NA	587.432125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR537	12 :0 SM F4	F4	587.432125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+3561	heparin-binding peptide	APRKAARWCT	587.7925	MH2+	Inhouse_peptide	NA	peptide
+MJ083539	Inosine 5'-tetraphosphate 	C10H16N4O17P4	587.946091	NA	MeJP	NA	NA
+C03614	Inosine 5'-tetraphosphate	C10H16N4O17P4	587.9461	NA	KEGG	NA	NA
+C03617	L-Methionylaminoacyl-tRNA	C17H28N2O12PSR3	587.9461	NA	KEGG	NA	NA
+MJ083540	4,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-Pyranose-form, 2-(Hydroxymethyl)phenyl glycoside 	C27H24O15	588.11152	NA	MeJP	NA	NA
+MJ083541	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 2-(Hydroxymethyl)phenyl glycoside 	C27H24O15	588.11152	NA	MeJP	NA	NA
+PJ007069	GTCCCC 	C18H32N6O8S4	588.1165	NA	PeJP	NA	NA
+MJ083542	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3'''-Hydroxy, 4'''-Me ether 	C31H24O12	588.126776	NA	MeJP	NA	NA
+C09761	Kolaflavanone	C31H24O12	588.1268	NA	KEGG	NA	NA
+PJ007070	SSSCCC 	C18H32N6O10S3	588.1342	NA	PeJP	NA	NA
+MJ083543	Aklavinone, 7-O-?-D-Glucopyranuroside 	C28H28O14	588.147905	NA	MeJP	NA	NA
+MJ083544	Tetracenomycin C; 3-O-De-Me, 3-O-(2,6-dideoxy-?-D-arabino-hexopyranoside) 	C28H28O14	588.147905	NA	MeJP	NA	NA
+PJ007071	CCCNF 	C22H32N6O7S3	588.1495	NA	PeJP	NA	NA
+MJ083545	Scabrosine; 4'-Hexanoyl, 4-butanoyl 	C28H32N2O8S2	588.160007	NA	MeJP	NA	NA
+MJ083546	Aurasperone A; 2',3'-Dihydro, 2'-hydroxy 	C32H28O11	588.163161	NA	MeJP	NA	NA
+MJ083547	Aurasperone A; 2,3-Dihydro, 2-hydroxy 	C32H28O11	588.163161	NA	MeJP	NA	NA
+MJ083548	Dermocanarin 4 	C32H28O11	588.163161	NA	MeJP	NA	NA
+MJ083549	Fonsecinone A; 2',3'-Dihydro, 2'-hydroxy 	C32H28O11	588.163161	NA	MeJP	NA	NA
+PJ007072	SCCNY 	C22H32N6O9S2	588.1672	NA	PeJP	NA	NA
+FL3FA9GM0002	Matteuorienate C;5,7-Dihydroxy-6,8-di-C-methylflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one	C29H32O13	588.18429	171439-54-6	knapsack	NA	NA
+FLIFHXGF0001	Dalbinol O-glucoside;Dalbin	C29H32O13	588.18429	68401-03-6	knapsack	NA	NA
+MJ083550	5,7-Dihydroxy-6,8-dimethylflavone; 7-O-[6-O-(3-Hydroxy-3-methylglutaroyl)-?-D-glucopyranoside] 	C29H32O13	588.184291	NA	MeJP	NA	NA
+MJ083551	Dalbinol; 2'-O-?-D-Glucopyranoside 	C29H32O13	588.184291	NA	MeJP	NA	NA
+MJ083552	Etoposide 	C29H32O13	588.184291	NA	MeJP	NA	NA
+MJ083553	Steffimycin; 4'-Me ether 	C29H32O13	588.184291	NA	MeJP	NA	NA
+C01576	Etoposide	C29H32O13	588.1843	NA	KEGG	NA	NA
+C01577	Factor Xa	C29H32O13	588.1843	NA	KEGG	NA	NA
+C01579	Flavonoid	C29H32O13	588.1843	NA	KEGG	NA	NA
+MJ083554	Antrafenine 	C30H26F6N4O2	588.195995	NA	MeJP	NA	NA
+PJ007073	SCNEH 	C21H32N8O10S	588.1962	NA	PeJP	NA	NA
+MJ083555	Dermocanarin 5; 3-Epimer 	C33H32O10	588.199547	NA	MeJP	NA	NA
+MJ083556	Flavomannin, 1,3,3'-Tri-Me ether 	C33H32O10	588.199547	NA	MeJP	NA	NA
+MJ083557	Occidentalol I 	C33H32O10	588.199547	NA	MeJP	NA	NA
+PJ007074	PNDDE 	C22H32N6O13	588.2028	NA	PeJP	NA	NA
+PJ007075	DEYY 	C27H32N4O11	588.2068	NA	PeJP	NA	NA
+PJ007076	GSCHW 	C25H32N8O7S	588.2115	NA	PeJP	NA	NA
+PJ007077	GSSSDH 	C21H32N8O12	588.214	NA	PeJP	NA	NA
+MJ083558	Blestrianol B 	C37H32O7	588.214803	NA	MeJP	NA	NA
+PJ007078	GNMMH 	C22H36N8O7S2	588.2149	NA	PeJP	NA	NA
+PJ007079	GPDDW 	C26H32N6O10	588.218	NA	PeJP	NA	NA
+MJ083559	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 1-benzoyl, 2,6,9,14-tetra-Ac 	C30H36O12	588.220676	NA	MeJP	NA	NA
+MJ083560	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 2-benzoyl, 1,6,9,14-tetra-Ac 	C30H36O12	588.220676	NA	MeJP	NA	NA
+MJ083561	3,10-Dihydroxy-4(15),11(13)-guaiadien-12,6-olide, 3-O-[6-O-(3,4-Dihydroxycinnamoyl)-?-D-glucopyranoside] 	C30H36O12	588.220676	NA	MeJP	NA	NA
+MJ083562	3,8-Dihydroxy-3,10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 3-O-?-D-glucopyranoside 	C30H36O12	588.220676	NA	MeJP	NA	NA
+MJ083563	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-O-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 3-O-?-D-glucopyranoside 	C30H36O12	588.220676	NA	MeJP	NA	NA
+MJ083564	3,8-Dihydroxy-4(15),10(14)-guaiadien-12,6-olide, 3-O-[3,4-Dihydroxycinnamoyl(?2)-?-D-glucopyranoside] 	C30H36O12	588.220676	NA	MeJP	NA	NA
+MJ083565	8,14-Epoxy-14,15-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide, 14-Me ether, 15-O-[4-hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C30H36O12	588.220676	NA	MeJP	NA	NA
+PJ007080	GSPPCE 	C23H36N6O10S	588.2214	NA	PeJP	NA	NA
+PJ007081	NNNNN 	C20H32N10O11	588.2252	NA	PeJP	NA	NA
+PJ007082	GGGGGGGGN 	C20H32N10O11	588.2253	NA	PeJP	NA	NA
+PJ007083	EMFY 	C28H36N4O8S	588.2254	NA	PeJP	NA	NA
+PJ007084	ACCHR 	C21H36N10O6S2	588.2261	NA	PeJP	NA	NA
+PJ007085	GNDHF 	C25H32N8O9	588.2293	NA	PeJP	NA	NA
+PJ007086	SSQMH 	C22H36N8O9S	588.2326	NA	PeJP	NA	NA
+MJ083566	1,12-Epoxy-6,7,8,12-tetrahydroxy-4(18),13-clerodadien-15,16-olide, 6,7-Dibenzoyl 	C34H36O9	588.235932	NA	MeJP	NA	NA
+MJ083567	3,5,6,7-Tetrahydroxy-19-vouacapanoic acid, 6,7-Dibenzoyl 	C34H36O9	588.235932	NA	MeJP	NA	NA
+MJ083568	Cassumunarin A; 2'-Epimer, 2''-methoxy 	C34H36O9	588.235932	NA	MeJP	NA	NA
+MJ083569	Cassumunin A; 2''-Methoxy 	C34H36O9	588.235932	NA	MeJP	NA	NA
+PJ007087	SPPCW 	C27H36N6O7S	588.2366	NA	PeJP	NA	NA
+3083	NA	DSDPR	588.2388	celiac toxic	Inhouse_peptide	NA	peptide
+3327	NA	DSDPR	588.2388	celiac toxic	Inhouse_peptide	NA	peptide
+PJ007088	SPQEE 	C23H36N6O12	588.2391	NA	PeJP	NA	NA
+PJ007089	GGPTEE 	C23H36N6O12	588.2392	NA	PeJP	NA	NA
+PJ007090	PPNMM 	C24H40N6O7S2	588.24	NA	PeJP	NA	NA
+MJ083570	Furcatoside C; 2',3'-Di-Ac 	C27H40O14	588.241805	NA	MeJP	NA	NA
+MJ083571	Patrinoside; 2',7,10-Tri-Ac 	C27H40O14	588.241805	NA	MeJP	NA	NA
+PJ007091	SSCHR 	C21H36N10O8S	588.2439	NA	PeJP	NA	NA
+MJ083572	Pentigetide 	C22H36N8O11	588.250354	NA	MeJP	NA	NA
+PJ007092	SPDDR 	C22H36N8O11	588.2504	NA	PeJP	NA	NA
+PJ007093	ACKMH 	C23H40N8O6S2	588.2512	NA	PeJP	NA	NA
+PJ007094	VCCKH 	C23H40N8O6S2	588.2513	NA	PeJP	NA	NA
+PJ007095	GPTEW 	C27H36N6O9	588.2544	NA	PeJP	NA	NA
+MJ083573	11(15?1)-Abeo-4,20-epoxy-11-taxene-2,5,7,9,10,13,15-heptol, 9-Benzoyl, 2,7-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083574	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083575	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4,13-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083576	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4,7-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083577	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 7-Benzoyl, 2,4-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083578	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9-Benzoyl, 2,4-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083579	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,10-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083580	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,13-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083581	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,7-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083582	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,13-di-Ac 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083583	Detigloylswietenine; 2?-Hydroxy, 8?,30?-epoxide, 3-(2-methylpropanoyl) 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083584	EP1; 15?-Acetoxy 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083585	Humilinolide A 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083586	Sandoricin 	C31H40O11	588.257062	NA	MeJP	NA	NA
+MJ083587	Tyledoside F; 12-Oxo 	C31H40O11	588.257062	NA	MeJP	NA	NA
+PJ007096	PVNEM 	C24H40N6O9S	588.2578	NA	PeJP	NA	NA
+PJ007097	PFYY 	C32H36N4O7	588.2584	NA	PeJP	NA	NA
+MJ083588	Magnesium protoporphyrin 	C34H36MgN4O4	588.258697	NA	MeJP	NA	NA
+PJ007098	GNNER 	C21H36N10O10	588.2616	NA	PeJP	NA	NA
+PJ007099	LMYY 	C29H40N4O7S	588.2618	NA	PeJP	NA	NA
+PJ007100	QQQW 	C26H36N8O8	588.2656	NA	PeJP	NA	NA
+PJ007101	GGGGGVW 	C26H36N8O8	588.2657	NA	PeJP	NA	NA
+MJ083589	N,N'-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinylmethyl 2,2-dimethylpropanoate 	C30H40N2O10	588.268295	NA	MeJP	NA	NA
+PJ007102	GPEMR 	C23H40N8O8S	588.269	NA	PeJP	NA	NA
+MJ083590	5,6,7,8-Tetrahydro-6-(4-hydroxyphenyl)-6-methyl-5-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-2-naphthalenol 	C31H41F5O3S	588.269656	NA	MeJP	NA	NA
+PJ007103	PTWW 	C31H36N6O6	588.2697	NA	PeJP	NA	NA
+MJ083591	Ohchinal 	C35H40O8	588.272318	NA	MeJP	NA	NA
+PJ007104	GPVMW 	C28H40N6O6S	588.273	NA	PeJP	NA	NA
+MJ083592	4-Hydoxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-L-alaninamide 	C36H36N4O4	588.273655	NA	MeJP	NA	NA
+PJ007105	SPKEE 	C24H40N6O11	588.2755	NA	PeJP	NA	NA
+PJ007106	NNRW 	C25H36N10O7	588.2769	NA	PeJP	NA	NA
+MJ083593	Pallidiflorine 	C34H40N2O7	588.283551	NA	MeJP	NA	NA
+PJ007107	PMRW 	C27H40N8O5S	588.2843	NA	PeJP	NA	NA
+PJ007108	GVEER 	C23H40N8O10	588.2868	NA	PeJP	NA	NA
+PJ007109	AALEW 	C28H40N6O8	588.2908	NA	PeJP	NA	NA
+MJ083594	2,19:4,18:11,16:15,16-Tetraepoxy-6,7,19-clerodanetriol, 7,19-Ditigloyl, 6-Ac 	C32H44O10	588.293447	NA	MeJP	NA	NA
+MJ083595	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-L-Rhamnopyranoside, 16-Ac 	C32H44O10	588.293447	NA	MeJP	NA	NA
+MJ083596	Pregnane-3,5,6,8,12,14,17,20-octol, 12-Cinnamoyl, 20-Ac 	C32H44O10	588.293447	NA	MeJP	NA	NA
+PJ007110	PTLQM 	C25H44N6O8S	588.2941	NA	PeJP	NA	NA
+PJ007111	PVDKM 	C25H44N6O8S	588.2942	NA	PeJP	NA	NA
+MJ083597	Trapoxin B 	C33H40N4O6	588.294785	NA	MeJP	NA	NA
+HMDB04161	D-Urobilin	C33H40N4O6	588.2948	http://www.hmdb.ca/metabolites/HMDB04161	HMDB	NA	NA
+C05795	D-Urobilin	C33H40N4O6	588.2948	NA	KEGG	NA	NA
+C05796	Galactan	C33H40N4O6	588.2948	NA	KEGG	NA	NA
+PJ007112	LFFY 	C33H40N4O6	588.2948	NA	PeJP	NA	NA
+HMDB04161	D-Urobilin	C33H40N4O6	588.2948	HMDB04161	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04161	D-Urobilin	C33H40N4O6	588.2948	NA	HMDB2010	NA	NA
+PJ007113	EERR 	C22H40N10O9	588.298	NA	PeJP	NA	NA
+MJ083598	Bismurrayafoline B 	C38H40N2O4	588.298807	NA	MeJP	NA	NA
+MJ083599	Flupentixol, Decanoyl 	C33H43F3N2O2S	588.299733	NA	MeJP	NA	NA
+MJ083600	Cilengitide 	C27H40N8O7	588.301995	NA	MeJP	NA	NA
+PJ007114	VERW 	C27H40N8O7	588.302	NA	PeJP	NA	NA
+MJ083601	Magireol A 	C30H53BrO6	588.302552	NA	MeJP	NA	NA
+PJ007115	SPVMR 	C24H44N8O7S	588.3054	NA	PeJP	NA	NA
+PJ007116	VVWW 	C32H40N6O5	588.306	NA	PeJP	NA	NA
+PJ007117	GSNRR 	C21H40N12O8	588.3092	NA	PeJP	NA	NA
+PJ007118	ALKEE 	C25H44N6O10	588.3119	NA	PeJP	NA	NA
+PJ007119	APKHH 	C26H40N10O6	588.3133	NA	PeJP	NA	NA
+MJ083602	7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2,5,8-Tris-(2-methylpropanoyl), 4-Ac 	C29H48O12	588.314577	NA	MeJP	NA	NA
+PJ007120	ATLER 	C24H44N8O9	588.3231	NA	PeJP	NA	NA
+PJ007121	SVVER 	C24H44N8O9	588.3232	NA	PeJP	NA	NA
+PJ007122	GTLLW 	C29H44N6O7	588.3272	NA	PeJP	NA	NA
+C11955	Avermectin B2b aglycone	C33H48O9	588.3298	NA	KEGG	NA	NA
+MJ083603	Piscidinol F 	C33H48O9	588.329833	NA	MeJP	NA	NA
+MJ083604	Viridominic acid A 	C33H48O9	588.329833	NA	MeJP	NA	NA
+PJ007123	PTLKM 	C26H48N6O7S	588.3305	NA	PeJP	NA	NA
+PJ007124	GGVLLM 	C26H48N6O7S	588.3306	NA	PeJP	NA	NA
+PJ007125	GTQKR 	C23H44N10O8	588.3344	NA	PeJP	NA	NA
+PJ007126	QKKW 	C28H44N8O6	588.3384	NA	PeJP	NA	NA
+PJ007127	GLLMR 	C25H48N8O6S	588.3418	NA	PeJP	NA	NA
+MJ083605	Hydratopyrrhoxanthinol 	C37H48O6	588.345089	NA	MeJP	NA	NA
+MJ083606	Peridininol 	C37H48O6	588.345089	NA	MeJP	NA	NA
+MJ083607	Longicaudatine Z 	C38H44N4O2	588.346426	NA	MeJP	NA	NA
+MJ083608	Panganensine R 	C38H44N4O2	588.346426	NA	MeJP	NA	NA
+PJ007128	SLLKE 	C26H48N6O9	588.3483	NA	PeJP	NA	NA
+2724	erythromycin inhibitor	MVLKV	588.3544	NA	Inhouse_peptide	NA	peptide
+PJ007129	STLLR 	C25H48N8O8	588.3595	NA	PeJP	NA	NA
+PJ007130	PVVKF 	C30H48N6O6	588.3636	NA	PeJP	NA	NA
+HMDB10342	25-Hydroxyvitamin D2-25-glucuronide	C34H52O8	588.366211	NA	HMDB2010	NA	NA
+HMDB10360	25-Hydroxyvitamin D2 25-(beta-glucuronide)	C34H52O8	588.366211	NA	HMDB2010	NA	NA
+MJ083609	12-Oleanene-3,16,21,22,23,28-hexol, 23-Aldehyde, 21,22-di-Ac 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083610	2,3,11,19-Tetrahydroxy-12-ursen-28-oic acid, 2,11-Di-Ac 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083611	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-L-Arabinopyranoside 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083612	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,22-Di-Ac 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083613	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Dodecanoyl, 13-Ac 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083614	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Dodecanoyl, 12-Ac 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083615	9,12,13,20-Tetrahydroxy-1,6-tigliadien-3-one, 16-Hydroxy, 12-dodecanoyl, 13-Ac 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083616	Gnidilatin; 30-Butyl, de(benzoyloxy) 	C34H52O8	588.366218	NA	MeJP	NA	NA
+MJ083617	Quercinic acid; 31-Hydroxy, 3-carboxyacetyl 	C34H52O8	588.366218	NA	MeJP	NA	NA
+PJ007131	VVLKM 	C27H52N6O6S	588.3669	NA	PeJP	NA	NA
+PJ007132	GTKKR 	C24H48N10O7	588.3708	NA	PeJP	NA	NA
+MJ083618	Nephilatoxin 1 	C29H48N8O5	588.374766	NA	MeJP	NA	NA
+PJ007133	KKKW 	C29H48N8O5	588.3748	NA	PeJP	NA	NA
+PJ007134	SVKKK 	C26H52N8O7	588.3959	NA	PeJP	NA	NA
+MJ083619	12-Oleanene-3,15,16,21,22,28-hexol, 21-(2-Methyl-2-butenoyl) 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083620	12-Oleanene-3,15,16,21,22,28-hexol, 21-Angeloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083621	12-Oleanene-3,15,16,21,22,28-hexol, 22-Angeloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083622	12-Oleanene-3,15,16,21,22,28-hexol, 22-Tigloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083623	12-Oleanene-3,16,21,22,23,28-hexol, 21-Angeloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083624	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083625	12-Oleanene-3,16,21,22,23,28-hexol, 22-Angeloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083626	12-Oleanene-3,16,21,22,24,28-hexol, 21-Angeloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083627	12-Oleanene-3,16,21,22,24,28-hexol, 21-Tigloyl 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083628	21,23-Epoxy-4,7-dihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methylbutanoyl) 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083629	3-Hydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083630	3-Hydroxy-18-oleanen-28-oic acid, 3-O-Arabinoside 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083631	3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-(6-Deoxy-?-D-galactopyranoside) 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083632	3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083633	Dammar-24-ene-3,12,20-triol, 3-Malonyl, 12-Ac 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083634	Glabretal; 7-Deacetyl, 3-tigloyl, 24?,25-glycol 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083635	Lansiolic acid; 3-O-?-D-Xylopyranoside 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083636	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Xylopyranoside 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083637	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-L-Arabinopyranoside 	C35H56O7	588.402604	NA	MeJP	NA	NA
+MJ083638	12-Oleanene-3,28-diol, 3-(4-Hydroxycinnamoyl)(E-) 	C39H56O4	588.41786	NA	MeJP	NA	NA
+MJ083639	12-Oleanene-3,28-diol, 3-(4-Hydroxycinnamoyl)(Z-) 	C39H56O4	588.41786	NA	MeJP	NA	NA
+MJ083640	20(29)-Lupen-3-ol, (3,4-Dihydroxycinnamoyl)(E-) 	C39H56O4	588.41786	NA	MeJP	NA	NA
+MJ083641	20(29)-Lupene-3,11-diol, 11-(4-Hydroxycinnamoyl)(E-) 	C39H56O4	588.41786	NA	MeJP	NA	NA
+MJ083642	Cycloart-24-en-3-ol, 3-O-(3,4-Dihydroxycinnamoyl)(E-) 	C39H56O4	588.41786	NA	MeJP	NA	NA
+MJ083643	12-Ursen-3-ol, 3-O-?-D-Glucopyranoside 	C36H60O6	588.438989	NA	MeJP	NA	NA
+MJ083644	31-Norcycloswietenol; 3-O-?-D-Glucopyranoside 	C36H60O6	588.438989	NA	MeJP	NA	NA
+MJ083645	Cycloeucalenol; 3-O-?-D-Glucopyranoside 	C36H60O6	588.438989	NA	MeJP	NA	NA
+MJ083646	?,?-Carotene-3,4,4'-triol; 5,5',6,6'-Tetrahydro 	C40H60O3	588.454245	NA	MeJP	NA	NA
+MJ083647	Acutifloric acid 	C40H60O3	588.454245	NA	MeJP	NA	NA
+MJ083648	Annodienin 	C37H64O5	588.475375	NA	MeJP	NA	NA
+MJ083649	Tripoxyrollin 	C37H64O5	588.475375	NA	MeJP	NA	NA
+HMDB07025	DG(14:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07026	DG(14:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07052	DG(14:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07053	DG(14:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07106	DG(16:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07133	DG(16:1(9Z)/18:3(6Z,9Z,12Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07134	DG(16:1(9Z)/18:3(9Z,12Z,15Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07273	DG(18:3(6Z,9Z,12Z)/16:1(9Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07302	DG(18:3(9Z,12Z,15Z)/16:1(9Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07330	DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07444	DG(20:3(5Z,8Z,11Z)/14:1(9Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07473	DG(20:3(8Z,11Z,14Z)/14:1(9Z)/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07501	DG(20:4(5Z,8Z,11Z,14Z)/14:0/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+HMDB07530	DG(20:4(8Z,11Z,14Z,17Z)/14:0/0:0)	C37H64O5	588.475403	NA	HMDB2010	NA	NA
+MJ083650	1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 1'-Me ether 	C41H64O2	588.490631	NA	MeJP	NA	NA
+MJ083651	8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-octadecanoyl 	C38H68O4	588.51176	NA	MeJP	NA	NA
+MJ083652	2-Phyten-1-ol, 1-Carboxylic acid, 2-phytenyl ester(E-) 	C40H76O2	588.584531	NA	MeJP	NA	NA
+C04613	UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose	C17H25N3O16P2	589.071	NA	KEGG	NA	NA
+C04614	alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2	C12H21O11R	589.071	NA	KEGG	NA	NA
+C04615	alpha-D-Mannosylchitobiosyldiphosphodolichol	C42H74N2O22P2	589.071	NA	KEGG	NA	NA
+C00325	GDP-L-fucose	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C00326	Glycoprotein	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C00498	ADP-glucose	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C02977	GDP-6-deoxy-D-talose	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C03117	GDP-6-deoxy-D-mannose	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C03119	Glucuronoarabinoxylan	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C03120	Glycerophosphodiester	C3H8O6PR	589.0822	NA	KEGG	NA	NA
+C03121	Glycoprotein inositol	C3H8O6PR	589.0822	NA	KEGG	NA	NA
+C05386	GDP-6-deoxy-L-mannose	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+C05392	Oligouronide with 4-deoxy-alpha-L-erythro-hex-4-enopyranuronosyl	C6H8O6	589.0822	NA	KEGG	NA	NA
+C05393	3-Deoxy-D-manno-octulosono-lipid(A)	C6H8O6	589.0822	NA	KEGG	NA	NA
+C06192	ADP-mannose	C16H25N5O15P2	589.0822	NA	KEGG	NA	NA
+HMDB01095	GDP-L-fucose	C16H25N5O15P2	589.08221	http://www.hmdb.ca/metabolites/HMDB01095	HMDB	NA	NA
+HMDB01499	GDP-D-Rhamnose	C16H25N5O15P2	589.08221	http://www.hmdb.ca/metabolites/HMDB01499	HMDB	NA	NA
+HMDB06369	ADP-Mannose	C16H25N5O15P2	589.08221	http://www.hmdb.ca/metabolites/HMDB06369	HMDB	NA	NA
+HMDB06557	ADP-glucose	C16H25N5O15P2	589.08221	http://www.hmdb.ca/metabolites/HMDB06557	HMDB	NA	NA
+HMDB01095	GDP-L-fucose	C16H25N5O15P2	589.08221	HMDB01095	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01499	GDP-D-Rhamnose	C16H25N5O15P2	589.08221	HMDB01499	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06369	ADP-Mannose	C16H25N5O15P2	589.08221	HMDB06369	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06557	ADP-glucose	C16H25N5O15P2	589.08221	HMDB06557	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01095	GDP-L-fucose	C16H25N5O15P2	589.082214	NA	HMDB2010	NA	NA
+HMDB01499	GDP-D-Rhamnose	C16H25N5O15P2	589.082214	NA	HMDB2010	NA	NA
+HMDB06369	ADP-Mannose	C16H25N5O15P2	589.082214	NA	HMDB2010	NA	NA
+HMDB06557	ADP-glucose	C16H25N5O15P2	589.082214	NA	HMDB2010	NA	NA
+MJ083653	Adenosine 5'-diphosphoglucose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MJ083654	ADPglucose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MJ083655	ADPmannose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MJ083656	GDP-6-deoxy-D-mannose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MJ083657	GDP-6-deoxy-D-talose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MJ083658	GDP-6-deoxy-L-mannose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MJ083659	GDP-L-fucose 	C16H25N5O15P2	589.082238	NA	MeJP	NA	NA
+MetaCyc03924	GDP-L-fucose [guanosine diphosphate fucose;guanosine 5'-(trihydrogen diphosphate), P'-(6-deoxy-&beta;-L- galactopyranosyl) ester;2-amino-9-[3,4-dihydroxy-5-[[hydroxy-[hydroxy-(3,4,5-trihydroxy- 6-methyl-tetrahydropyran-2-yl)oxy-phosphinoyl]oxy-phosphinoyl] oxymethyl]tetrahydrofuran-2-yl]-1,9-dihydropurin-6-one;]	C16H25N5O15P2	589.082238	15839-70-0	metacyc	NA	NA
+MetaCyc03925	GDP-6-deoxy-D-talose []	C16H25N5O15P2	589.082238	NA	metacyc	NA	NA
+MetaCyc03926	GDP-D-rhamnose [GDP-6-deoxy-D-mannose;]	C16H25N5O15P2	589.082238	NA	metacyc	NA	NA
+MetaCyc03927	ADP-D-glucose [adenosine diphosphate glucose;ADP-glucose;]	C16H25N5O15P2	589.082238	2140-58-1	metacyc	NA	NA
+HMDB00290	Uridine diphosphate-N-acetylglucosamine	C18H29N3O15P2	589.10736	http://www.hmdb.ca/metabolites/HMDB00290	HMDB	NA	NA
+HMDB00290	Uridine diphosphate-N-acetylglucosamine	C18H29N3O15P2	589.10736	HMDB00290	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12222	dTDP-4-acetamido-4,6-dideoxy-D-galactose	C18H29N3O15P2	589.107361	NA	HMDB2010	NA	NA
+MetaCyc03928	dTDP-4-acetamido-4,6-dideoxy-D-galactose [dTDP-4-acetamido-4,6-dideoxy-D-galactose;TDP-Fuc4NAc;]	C18H29N3O15P2	589.10739	NA	metacyc	NA	NA
+C06018	dTDP-4-acetamido-4,6-dideoxy-D-glucose	C18H29N3O15P2	589.1074	NA	KEGG	NA	NA
+PJ007135	CCCMM 	C19H35N5O6S5	589.1191	NA	PeJP	NA	NA
+PJ007136	CCCDF 	C22H31N5O8S3	589.1335	NA	PeJP	NA	NA
+MJ083660	Pinaverium(1+); Bromide 	C26H41Br2NO4	589.140234	NA	MeJP	NA	NA
+C11447	dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose	C19H33N3O14P2	589.1438	NA	KEGG	NA	NA
+PJ007137	SCCDY 	C22H31N5O10S2	589.1513	NA	PeJP	NA	NA
+PJ007138	ACCMY 	C23H35N5O7S3	589.1699	NA	PeJP	NA	NA
+C12473	Novclobiocin 104	C29H32ClNO10	589.1715	NA	KEGG	NA	NA
+PJ007139	CCNNH 	C20H31N9O8S2	589.1737	NA	PeJP	NA	NA
+PJ007140	SCDEH 	C21H31N7O11S	589.1803	NA	PeJP	NA	NA
+PJ007141	PCCMH 	C22H35N7O6S3	589.1811	NA	PeJP	NA	NA
+PJ007142	PDDDE 	C22H31N5O14	589.1868	NA	PeJP	NA	NA
+PJ007143	SSCMY 	C23H35N5O9S2	589.1876	NA	PeJP	NA	NA
+PJ007144	GDMMH 	C22H35N7O8S2	589.1989	NA	PeJP	NA	NA
+PJ007145	ACCFF 	C27H35N5O6S2	589.2029	NA	PeJP	NA	NA
+PJ007146	NNNND 	C20H31N9O12	589.2092	NA	PeJP	NA	NA
+PJ007147	GGGGNND 	C20H31N9O12	589.2093	NA	PeJP	NA	NA
+PJ007148	GDDHF 	C25H31N7O10	589.2133	NA	PeJP	NA	NA
+PJ007149	SSEMH 	C22H35N7O10S	589.2166	NA	PeJP	NA	NA
+PJ007150	GGGGPDM 	C22H35N7O10S	589.2167	NA	PeJP	NA	NA
+PJ007151	GCHHH 	C23H31N11O6S	589.218	NA	PeJP	NA	NA
+PJ007152	NMYY 	C27H35N5O8S	589.2206	NA	PeJP	NA	NA
+PJ007153	GGMYY 	C27H35N5O8S	589.2207	NA	PeJP	NA	NA
+PJ007154	SPEEE 	C23H35N5O13	589.2232	NA	PeJP	NA	NA
+PJ007155	PPDMM 	C24H39N5O8S2	589.224	NA	PeJP	NA	NA
+MJ083661	TSAO-T 	C24H43N3O8SSi2	589.230939	NA	MeJP	NA	NA
+MJ083662	Ankinomycin 	C33H35NO9	589.231181	NA	MeJP	NA	NA
+MJ083663	Saptomycin E 	C33H35NO9	589.231181	NA	MeJP	NA	NA
+PJ007156	GPCQW 	C26H35N7O7S	589.2319	NA	PeJP	NA	NA
+PJ007157	GQQEE 	C22H35N7O12	589.2344	NA	PeJP	NA	NA
+PJ007158	ATMMH 	C23H39N7O7S2	589.2353	NA	PeJP	NA	NA
+PJ007159	GSTYY 	C27H35N5O10	589.2384	NA	PeJP	NA	NA
+PJ007160	PVDEM 	C24H39N5O10S	589.2418	NA	PeJP	NA	NA
+PJ007161	PPCHH 	C25H35N9O6S	589.2431	NA	PeJP	NA	NA
+PJ007162	GNDER 	C21H35N9O11	589.2456	NA	PeJP	NA	NA
+PJ007163	GGGGGGGAT 	C21H35N9O11	589.2457	NA	PeJP	NA	NA
+PJ007164	QQEW 	C26H35N7O9	589.2496	NA	PeJP	NA	NA
+PJ007165	GAQEW 	C26H35N7O9	589.2497	NA	PeJP	NA	NA
+PJ007166	TTTMH 	C23H39N7O9S	589.253	NA	PeJP	NA	NA
+PJ007167	NFFY 	C31H35N5O7	589.2537	NA	PeJP	NA	NA
+PJ007168	ALEEE 	C24H39N5O12	589.2595	NA	PeJP	NA	NA
+PJ007169	VVDEE 	C24H39N5O12	589.2596	NA	PeJP	NA	NA
+PJ007170	NDRW 	C25H35N9O8	589.2609	NA	PeJP	NA	NA
+PJ007171	PTCNR 	C22H39N9O8S	589.2642	NA	PeJP	NA	NA
+PJ007172	SPCQR 	C22H39N9O8S	589.2643	NA	PeJP	NA	NA
+PJ007173	AQWW 	C30H35N7O6	589.2649	NA	PeJP	NA	NA
+PJ007174	GPCKW 	C27H39N7O6S	589.2683	NA	PeJP	NA	NA
+PJ007175	GQKEE 	C23H39N7O11	589.2708	NA	PeJP	NA	NA
+MJ083664	Uscharin; 15?-Hydroxy, 19-deoxo 	C31H43NO8S	589.270938	NA	MeJP	NA	NA
+MJ083665	Uscharin; 3'',4''-Dihydro 	C31H43NO8S	589.270938	NA	MeJP	NA	NA
+PJ007176	PPVDY 	C28H39N5O9	589.2748	NA	PeJP	NA	NA
+PJ007177	PTLEM 	C25H43N5O9S	589.2782	NA	PeJP	NA	NA
+PJ007178	MHFR 	C26H39N9O5S	589.2795	NA	PeJP	NA	NA
+MJ083666	Cyclomethasone 	C32H44ClNO7	589.28063	NA	MeJP	NA	NA
+PJ007179	GTQER 	C22H39N9O10	589.282	NA	PeJP	NA	NA
+PJ007180	QKEW 	C27H39N7O8	589.286	NA	PeJP	NA	NA
+MJ083667	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl 	C31H43NO10	589.288696	NA	MeJP	NA	NA
+PJ007181	SPQKM 	C24H43N7O8S	589.2894	NA	PeJP	NA	NA
+PJ007182	GSDRR 	C21H39N11O9	589.2933	NA	PeJP	NA	NA
+PJ007183	PPVMF 	C29H43N5O6S	589.2934	NA	PeJP	NA	NA
+PJ007184	SLLEE 	C25H43N5O11	589.2959	NA	PeJP	NA	NA
+PJ007185	PVLMM 	C26H47N5O6S2	589.2968	NA	PeJP	NA	NA
+PJ007186	TQRW 	C26H39N9O7	589.2973	NA	PeJP	NA	NA
+PJ007187	GVQMR 	C23H43N9O7S	589.3006	NA	PeJP	NA	NA
+PJ007188	GGGLMR 	C23H43N9O7S	589.3007	NA	PeJP	NA	NA
+PJ007189	AKWW 	C31H39N7O5	589.3013	NA	PeJP	NA	NA
+PJ007190	GKKEE 	C24H43N7O10	589.3072	NA	PeJP	NA	NA
+PJ007191	PPTLY 	C29H43N5O8	589.3112	NA	PeJP	NA	NA
+PJ007192	QMRR 	C22H43N11O6S	589.3119	NA	PeJP	NA	NA
+EUR795	Lyso PC 22:6 [M+Na]+	C30H50NO7P	589.314438	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR795	Lyso PC 22:6 [M+Na]+	C30H50NO7P	589.314438	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR795	Lyso PC 22:6 [M+Na]+	C30H50NO7P	589.314438	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR795	Lyso PC 22:6 [M+Na]+	C30H50NO7P	589.314438	masses lipides attendues	Inhousejuil11	NA	NA
+PJ007193	VVLEM 	C26H47N5O8S	589.3146	NA	PeJP	NA	NA
+PJ007194	GTKER 	C23H43N9O9	589.3184	NA	PeJP	NA	NA
+PJ007195	KKEW 	C28H43N7O7	589.3224	NA	PeJP	NA	NA
+PJ007196	CRRR 	C21H43N13O5S	589.3231	NA	PeJP	NA	NA
+PJ007197	SPKKM 	C25H47N7O7S	589.3258	NA	PeJP	NA	NA
+MJ083668	Ergogaline 	C33H43N5O5	589.326419	NA	MeJP	NA	NA
+MJ083669	Ergoheptine 	C33H43N5O5	589.326419	NA	MeJP	NA	NA
+MJ083670	Mauritine H 	C33H43N5O5	589.326419	NA	MeJP	NA	NA
+MJ083671	Mergocriptine 	C33H43N5O5	589.326419	NA	MeJP	NA	NA
+MJ083672	?-Ergocryptine; Me ether 	C33H43N5O5	589.326419	NA	MeJP	NA	NA
+PJ007198	GTTRR 	C22H43N11O8	589.3296	NA	PeJP	NA	NA
+PJ007199	TKRW 	C27H43N9O6	589.3337	NA	PeJP	NA	NA
+MJ083673	Detoxin D1; O-De-Ac, O-(3-methylbutanoyl) 	C31H47N3O8	589.336315	NA	MeJP	NA	NA
+PJ007200	GVKMR 	C24H47N9O6S	589.337	NA	PeJP	NA	NA
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR576	LysoPC(20:4)	[M+FA-H]-	589.337325	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR682	Lyso PC 20:4 [M+FA-H]-	C28H50NO7P	589.337372	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR682	Lyso PC 20:4 [M+FA-H]-	C28H50NO7P	589.337372	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR682	Lyso PC 20:4 [M+FA-H]-	C28H50NO7P	589.337372	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR682	Lyso PC 20:4 [M+FA-H]-	C28H50NO7P	589.337372	masses lipides attendues	Inhousejuil11	NA	NA
+EUR908	Lyso PE 22:4 [M-H+acetate]-	C27H48NO7P	589.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR908	Lyso PE 22:4 [M-H+acetate]-	C27H48NO7P	589.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR908	Lyso PE 22:4 [M-H+acetate]-	C27H48NO7P	589.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR908	Lyso PE 22:4 [M-H+acetate]-	C27H48NO7P	589.337942	masses lipides attendues	Inhousejuil11	NA	NA
+2720	erythromycin inhibitor	MIITI	589.3394	NA	Inhouse_peptide	NA	peptide
+MJ083674	Petuniasterone C; 22-(3-Pyridinecarbonyl), 7-Ac 	C36H47NO6	589.340338	NA	MeJP	NA	NA
+PJ007201	TTLQK 	C25H47N7O9	589.3435	NA	PeJP	NA	NA
+PJ007202	SVKKE 	C25H47N7O9	589.3436	NA	PeJP	NA	NA
+PJ007203	PVVLY 	C30H47N5O7	589.3476	NA	PeJP	NA	NA
+PJ007204	KMRR 	C23H47N11O5S	589.3483	NA	PeJP	NA	NA
+PJ007205	TLLLM 	C27H51N5O7S	589.3509	NA	PeJP	NA	NA
+PJ007206	SSLKR 	C24H47N9O8	589.3548	NA	PeJP	NA	NA
+PJ007207	APKKF 	C29H47N7O6	589.3588	NA	PeJP	NA	NA
+MJ083675	21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,21-dione, O-?-D-Glucopyranoside 	C33H51NO8	589.361467	NA	MeJP	NA	NA
+MJ083676	Petisine; 3-O-?-D-Glucopyranosyl 	C33H51NO8	589.361467	NA	MeJP	NA	NA
+PJ007208	ALKKM 	C26H51N7O6S	589.3622	NA	PeJP	NA	NA
+PJ007209	TTLKK 	C26H51N7O8	589.3799	NA	PeJP	NA	NA
+MJ083677	Peptaibolin 	C31H51N5O6	589.383934	NA	MeJP	NA	NA
+PJ007210	VVLLF 	C31H51N5O6	589.384	NA	PeJP	NA	NA
+MJ083678	Angiolam A; 9',10'-Dihydro 	C34H55NO7	589.397853	NA	MeJP	NA	NA
+MJ083679	Korsevine; 3-O-?-D-Glucoside 	C34H55NO7	589.397853	NA	MeJP	NA	NA
+MJ083680	2-Amino-3-hydroxy-15-methyl-4-hexadecene-1-sulfonic acid, N-(2R-Hydroxy-13-methyltetradecanoyl) 	C32H63NO6S	589.437609	NA	MeJP	NA	NA
+MJ083681	35-Amino-3-methyl-11-bacteriohopene-30,31,32,33,34-pentol 	C36H63NO5	589.470624	NA	MeJP	NA	NA
+MJ083682	2-Amino-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxy-15R-methyl-3E-octadecenoyl) 	C37H67NO4	589.507009	NA	MeJP	NA	NA
+3710	NA	RNKPFKFML	589.82215	MH2+	Inhouse_peptide	NA	peptide
+MJ083683	N-[[4-[Bis(2-iodoethyl)amino]phenoxy]carbonyl]glutamic acid 	C16H20I2N2O6	589.941073	NA	MeJP	NA	NA
+PJ007211	GCCCCC 	C17H30N6O7S5	590.078	NA	PeJP	NA	NA
+C04630	UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose	C17H28N4O15P2	590.1026	NA	KEGG	NA	NA
+C09763	Manniflavanone	C30H22O13	590.106	NA	KEGG	NA	NA
+MJ083684	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3',3'''-Dihydroxy 	C30H22O13	590.10604	NA	MeJP	NA	NA
+MJ083685	3,3'',3''',4',4''',5,5'',7,7''-Nonahydroxy-3',6''-biflavanone 	C30H22O13	590.10604	NA	MeJP	NA	NA
+MJ083686	3,3',4',7-Tetrahydroxyflavan(4?2')-3,3',4',5',7-pentahydroxyflavone, 5''-Hydroxy 	C30H22O13	590.10604	NA	MeJP	NA	NA
+MJ083687	4a-Oxyrugulosin; 8,8'-Dihydroxy 	C30H22O13	590.10604	NA	MeJP	NA	NA
+MJ083688	Chiratanin 	C30H22O13	590.10604	NA	MeJP	NA	NA
+MJ083689	Julichrome Q5.5 	C34H22O10	590.121296	NA	MeJP	NA	NA
+MJ083690	Mulberrofuran M 	C34H22O10	590.121296	NA	MeJP	NA	NA
+MJ083691	Antibiotic L 656575 	C24H26N6O8S2	590.125353	NA	MeJP	NA	NA
+MJ083692	Hyperin; 2'',3'',6''-Tri-Ac 	C27H26O15	590.12717	NA	MeJP	NA	NA
+MJ083693	Salicin; 4',6'-Bis-O-(3,4,5-trihydroxybenzoyl) 	C27H26O15	590.12717	NA	MeJP	NA	NA
+FL5FACGA0035	Quercetin 3-(2'',3'',4''-triacetylgalactoside)	C27H26O15	590.12717	146018-89-5	knapsack	NA	NA
+MJ083694	2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-3,3',5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-[4,6'-bi-2H-1-benzopyran]-8'-carboxylic acid 	C31H26O12	590.142426	NA	MeJP	NA	NA
+MJ083695	2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-3,3',5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-[4,8'-bi-2H-benzopyran]-6'-carboxylic acid 	C31H26O12	590.142426	NA	MeJP	NA	NA
+PJ007212	CCNDH 	C20H30N8O9S2	590.1577	NA	PeJP	NA	NA
+PJ007213	GGCCDH 	C20H30N8O9S2	590.1578	NA	PeJP	NA	NA
+FL3FADCS0020	3'-O-Methylmaysin	C28H30O14	590.16355	74158-05-7	knapsack	NA	NA
+FL3FAECS0008	Cassiaoccidentalin C;6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diomestin 2''-O-rhamnoside	C28H30O14	590.16355	259876-01-2	knapsack	NA	NA
+MJ083696	7-Hydroxy-3',4'-methylenedioxyisoflavone; O-Rutinoside 	C28H30O14	590.163555	NA	MeJP	NA	NA
+MJ083697	Cassiaoccidentalin B; 4'-Me ether 	C28H30O14	590.163555	NA	MeJP	NA	NA
+MJ083698	Maysin; 3'-Me ether 	C28H30O14	590.163555	NA	MeJP	NA	NA
+MJ083699	Fesumtuorin C 	C32H30O11	590.178811	NA	MeJP	NA	NA
+MJ083700	Fesumtuorin G 	C32H30O11	590.178811	NA	MeJP	NA	NA
+MJ083701	Flavomannin, 5?-Hydroxy, 3,3'-di-Me ether 	C32H30O11	590.178811	NA	MeJP	NA	NA
+MJ083702	Rivulobirin C 	C32H30O11	590.178811	NA	MeJP	NA	NA
+MJ083703	Rivulobirin E 	C32H30O11	590.178811	NA	MeJP	NA	NA
+PJ007214	GPPCCD 	C22H34N6O9S2	590.1829	NA	PeJP	NA	NA
+PJ007215	NNNDD 	C20H30N8O13	590.1933	NA	PeJP	NA	NA
+PJ007216	SCNMH 	C21H34N8O8S2	590.1941	NA	PeJP	NA	NA
+FL2FA9GM0004	Matteuorienate B; Matterionate B;5,7-Dihydroxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]	C29H34O13	590.19994	161161-69-9	knapsack	NA	NA
+FLIF1LGF0004	Amorphigenol O-glucoside	C29H34O13	590.19994	29360-13-2	knapsack	NA	NA
+FLIFHXGF0002	12-Dihydrodalbinol O-glucoside;12-Dihydrodalbin	C29H34O13	590.19994	97640-97-6	knapsack	NA	NA
+MJ083704	2,3-Epoxy-4,8,9,13,14-pentahydroxy-1(10),5,7(11)-germacratrien-12,6-olide, 8-Angeloyl, 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac 	C29H34O13	590.199941	NA	MeJP	NA	NA
+MJ083705	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-Angeloyl, 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac 	C29H34O13	590.199941	NA	MeJP	NA	NA
+MJ083706	5,7-Dihydroxy-6,8-dimethylflavanone, 7-O-[6-O-(3-Hydroxy-3-methylglutaroyl)-?-D-glucopyranoside] 	C29H34O13	590.199941	NA	MeJP	NA	NA
+MJ083707	Amorphigenin; 1',3'-Dihydro, 1'-hydroxy, 1'-O-?-D-glucopyranoside 	C29H34O13	590.199941	NA	MeJP	NA	NA
+MJ083708	Dalbinol; 6?-Alcohol, 2'-O-?-D-Glucopyranoside 	C29H34O13	590.199941	NA	MeJP	NA	NA
+MJ083709	Haperforin B3 	C29H34O13	590.199941	NA	MeJP	NA	NA
+PJ007217	PNDDM 	C22H34N6O11S	590.2007	NA	PeJP	NA	NA
+PJ007218	DMYY 	C27H34N4O9S	590.2047	NA	PeJP	NA	NA
+PJ007219	GSSTCH 	C21H34N8O10S	590.2119	NA	PeJP	NA	NA
+PJ007220	GPCEW 	C26H34N6O8S	590.2159	NA	PeJP	NA	NA
+MJ083710	Gualamycin 	C21H38N2O17	590.217047	NA	MeJP	NA	NA
+PJ007221	GQEEE 	C22H34N6O13	590.2184	NA	PeJP	NA	NA
+PJ007222	GSPPCM 	C23H38N6O8S2	590.2193	NA	PeJP	NA	NA
+PJ007223	MMFY 	C28H38N4O6S2	590.2233	NA	PeJP	NA	NA
+PJ007224	GCQHF 	C25H34N8O7S	590.2271	NA	PeJP	NA	NA
+PJ007225	GGACHF 	C25H34N8O7S	590.2272	NA	PeJP	NA	NA
+PJ007226	ADDDR 	C21H34N8O12	590.2296	NA	PeJP	NA	NA
+PJ007227	GDDER 	C21H34N8O12	590.2297	NA	PeJP	NA	NA
+FL1DA9NC0009	Triuvaretin	C37H34O7	590.23045	137398-70-0	knapsack	NA	NA
+FL1DA9NC0010	Isotriuvaretin	C37H34O7	590.23045	137397-72-9	knapsack	NA	NA
+MJ083711	Isotriuvaretin 	C37H34O7	590.230453	NA	MeJP	NA	NA
+MJ083712	Triuvaretin 	C37H34O7	590.230453	NA	MeJP	NA	NA
+PJ007228	TCCKH 	C22H38N8O7S2	590.2305	NA	PeJP	NA	NA
+PJ007229	PCWW 	C30H34N6O5S	590.2312	NA	PeJP	NA	NA
+PJ007230	QEEW 	C26H34N6O10	590.2337	NA	PeJP	NA	NA
+MJ083713	1,15-Dihydroxy-4(15),11(13)-eudesmadien-12,6-olide, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083714	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,14-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083715	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,14-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083716	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083717	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Benzoyl, 2,6,9,14-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083718	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083719	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 6,8,9,14-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083720	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,6,8,14-tetra-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083721	2,14-Epoxy-1,2,3,6,8-pentahydroxy[4.2.11,4.110,30]tricyclomeliac-7-oic acid; 2-Me ether, Me ester, 1-Ac 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083722	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 4?,15-Dihydro, 8-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl], 3-O-?-D-glucopyranoside 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083723	4,5,9,10-Tetrahydro-1,6-dimethyl-2,7-pyrenediol; Di-O-?-D-glucopyranoside 	C30H38O12	590.236326	NA	MeJP	NA	NA
+MJ083724	Affinoside A; 16?-Hydroxy 	C30H38O12	590.236326	NA	MeJP	NA	NA
+PJ007231	SPQEM 	C23H38N6O10S	590.237	NA	PeJP	NA	NA
+PJ007232	DFFY 	C31H34N4O8	590.2377	NA	PeJP	NA	NA
+MJ083725	Caryolivine 	C36H34N2O6	590.241686	NA	MeJP	NA	NA
+MJ083726	Cycleatjehine 	C36H34N2O6	590.241686	NA	MeJP	NA	NA
+MJ083727	Menisarine 	C36H34N2O6	590.241686	NA	MeJP	NA	NA
+MJ083728	Sciadoline 	C36H34N2O6	590.241686	NA	MeJP	NA	NA
+MJ083729	Stebisimine 	C36H34N2O6	590.241686	NA	MeJP	NA	NA
+MJ083730	Stephasubine 	C36H34N2O6	590.241686	NA	MeJP	NA	NA
+PJ007233	DDRW 	C25H34N8O9	590.2449	NA	PeJP	NA	NA
+PJ007234	SPCER 	C22H38N8O9S	590.2483	NA	PeJP	NA	NA
+PJ007235	AEWW 	C30H34N6O7	590.2489	NA	PeJP	NA	NA
+MJ083731	Detigloylswietenine; 3-Benzoyl 	C34H38O9	590.251582	NA	MeJP	NA	NA
+PJ007236	GPTMW 	C27H38N6O7S	590.2523	NA	PeJP	NA	NA
+3328	NA	DTEAR	590.2539	celiac toxic	Inhouse_peptide	NA	peptide
+PJ007237	GKEEE 	C23H38N6O12	590.2548	NA	PeJP	NA	NA
+PJ007238	PVNMM 	C24H42N6O7S2	590.2557	NA	PeJP	NA	NA
+PJ007239	SPNHH 	C24H34N10O8	590.2561	NA	PeJP	NA	NA
+PJ007240	MFFF 	C32H38N4O5S	590.2563	NA	PeJP	NA	NA
+MJ083732	Jasmesosidic acid; 9''-Hydroxy, Me ester 	C27H42O14	590.257456	NA	MeJP	NA	NA
+MJ083733	Ergosta-5,24(28)-diene-3,4,21-triol, 3,21-Disulfate 	C28H46O9S2	590.258324	NA	MeJP	NA	NA
+PJ007241	GNNMR 	C21H38N10O8S	590.2595	NA	PeJP	NA	NA
+MJ083734	Rescimetol 	C33H38N2O8	590.262816	NA	MeJP	NA	NA
+PJ007242	GCKHF 	C26H38N8O6S	590.2635	NA	PeJP	NA	NA
+PJ007243	GTEER 	C22H38N8O11	590.266	NA	PeJP	NA	NA
+PJ007244	GPMMR 	C23H42N8O6S2	590.2669	NA	PeJP	NA	NA
+PJ007245	ASVEW 	C27H38N6O9	590.27	NA	PeJP	NA	NA
+PJ007246	KEEW 	C27H38N6O9	590.2701	NA	PeJP	NA	NA
+MJ083735	19-Hydroxyingol; 8-Tigloyl, 3,12,19-tri-Ac 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083736	3,5,14-Trihydroxy-16,19-dioxobufa-20,22-dienolide, 3-O-L-Thevetoside 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083737	4,18-Epoxy-1,3,6,19-tetrahydroxy-13-cleroden-15,16-olide, 19-Tigloyl, 1,3,6-tri-Ac 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083738	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, tri-Ac 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083739	Bovocryptoside 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083740	Euphorianin 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083741	Gomphoside; 19-Oxo, 16?-acetoxy 	C31H42O11	590.272712	NA	MeJP	NA	NA
+MJ083742	Miotoxin B; 3'-Acetoxy, 4'-alcohol 	C31H42O11	590.272712	NA	MeJP	NA	NA
+PJ007247	SPKEM 	C24H42N6O9S	590.2734	NA	PeJP	NA	NA
+PJ007248	VFYY 	C32H38N4O7	590.2741	NA	PeJP	NA	NA
+PJ007249	SSNQR 	C21H38N10O10	590.2773	NA	PeJP	NA	NA
+PJ007250	TERW 	C26H38N8O8	590.2813	NA	PeJP	NA	NA
+PJ007251	GQQKM 	C23H42N8O8S	590.2846	NA	PeJP	NA	NA
+PJ007252	GVEMR 	C23H42N8O8S	590.2847	NA	PeJP	NA	NA
+PJ007253	SLWW 	C31H38N6O6	590.2853	NA	PeJP	NA	NA
+MJ083743	12-Hydroxyvilasinin; 1-Benzoyl, 12-Ac 	C35H42O8	590.287968	NA	MeJP	NA	NA
+MJ083744	12-Hydroxyvilasinin; 12-Benzoyl, 1-Ac 	C35H42O8	590.287968	NA	MeJP	NA	NA
+MJ083745	Arteminolide 	C35H42O8	590.287968	NA	MeJP	NA	NA
+MJ083746	Morellin; Di-Me acetal 	C35H42O8	590.287968	NA	MeJP	NA	NA
+MJ083747	Moreollin 	C35H42O8	590.287968	NA	MeJP	NA	NA
+MJ083748	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl 	C35H42O8	590.287968	NA	MeJP	NA	NA
+PJ007254	AALMW 	C28H42N6O6S	590.2887	NA	PeJP	NA	NA
+MJ083749	Lecimibide 	C34H40F2N4OS	590.289089	NA	MeJP	NA	NA
+HMDB00810	Dimethylprotoporphyrin IX dimethyl ester	C36H38N4O4	590.289307	NA	HMDB2010	NA	NA
+HMDB00810	Dimethylprotoporphyrin IX dimethyl ester	C36H38N4O4	590.28931	http://www.hmdb.ca/metabolites/HMDB00810	HMDB	NA	NA
+HMDB00810	Dimethylprotoporphyrin IX dimethyl ester	C36H38N4O4	590.28931	HMDB00810	PFEM_hmdb_metabocards_official	NA	NA
+PJ007255	SVKEE 	C24H42N6O11	590.2912	NA	PeJP	NA	NA
+PJ007256	PCLKM 	C25H46N6O6S2	590.292	NA	PeJP	NA	NA
+PJ007257	GLQHH 	C25H38N10O7	590.2925	NA	PeJP	NA	NA
+PJ007258	EMRR 	C22H42N10O7S	590.2959	NA	PeJP	NA	NA
+2713	erythromycin inhibitor	MIIQS	590.2984	NA	Inhouse_peptide	NA	peptide
+MJ083750	Cryptophycin 4; O-De-Me 	C34H42N2O7	590.299201	NA	MeJP	NA	NA
+PJ007259	VMRW 	C27H42N8O5S	590.2999	NA	PeJP	NA	NA
+PJ007260	SSLER 	C23H42N8O10	590.3024	NA	PeJP	NA	NA
+PJ007261	AAHHR 	C24H38N12O6	590.3038	NA	PeJP	NA	NA
+PJ007262	ATTLW 	C28H42N6O8	590.3064	NA	PeJP	NA	NA
+MJ083751	11,12-Epoxy-3,14-dihydroxycard-20(22)-enolide, 3-O-(2-O-Acetyl-L-thevetoside) 	C32H46O10	590.309097	NA	MeJP	NA	NA
+MJ083752	2,19:4,18:15,16-Triepoxy-6,7,16,19-clerodanetetrol, 7,19-Ditigloyl, 6-Ac 	C32H46O10	590.309097	NA	MeJP	NA	NA
+MJ083753	Gnidiglaucin 	C32H46O10	590.309097	NA	MeJP	NA	NA
+MJ083754	Oscillatoxin B1 	C32H46O10	590.309097	NA	MeJP	NA	NA
+MJ083755	Tanghinigenin; 3-O-(2-O-Acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside) 	C32H46O10	590.309097	NA	MeJP	NA	NA
+PJ007263	ALKEM 	C25H46N6O8S	590.3098	NA	PeJP	NA	NA
+C05791	D-Urobilinogen	C33H42N4O6	590.3104	NA	KEGG	NA	NA
+C05792	Urobilins	C33H42N4O6	590.3104	NA	KEGG	NA	NA
+C05794	Urobilin	C33H42N4O6	590.3104	NA	KEGG	NA	NA
+HMDB04158	D-Urobilinogen	C33H42N4O6	590.31042	http://www.hmdb.ca/metabolites/HMDB04158	HMDB	NA	NA
+HMDB04160	I-Urobilin	C33H42N4O6	590.31042	http://www.hmdb.ca/metabolites/HMDB04160	HMDB	NA	NA
+HMDB04158	D-Urobilinogen	C33H42N4O6	590.31042	HMDB04158	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04160	I-Urobilin	C33H42N4O6	590.31042	HMDB04160	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04158	D-Urobilinogen	C33H42N4O6	590.310425	NA	HMDB2010	NA	NA
+HMDB04160	I-Urobilin	C33H42N4O6	590.310425	NA	HMDB2010	NA	NA
+MJ083756	23-(Hydroxymethyl)ergost-22-ene-3,5,6,15,25,26-hexol, 26-Sulfate 	C29H50O10S	590.312468	NA	MeJP	NA	NA
+MJ083757	Stigmast-22-ene-3,5,6,8,15,25,26-heptol, 26-Sulfate 	C29H50O10S	590.312468	NA	MeJP	NA	NA
+MJ083758	Stigmast-22-ene-3,5,6,8,15,28,29-heptol, 28-Sulfate 	C29H50O10S	590.312468	NA	MeJP	NA	NA
+PJ007264	SSNKR 	C22H42N10O9	590.3136	NA	PeJP	NA	NA
+PJ007265	GGSSKR 	C22H42N10O9	590.3137	NA	PeJP	NA	NA
+8265	f(141-146) of bovine kappa casein	STVATL	590.315	NA  ;SYN:3,3',5-Triiodo-L-thyronine; 3,3',5-Triiodothyronine; 3,5,3'-Triiodothyronine; 3,3',5'-triiodothyronine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; Cyronine; L-3,3',5-Triiodothyronine; L-3,3',5-triiodo-Thyronine; L-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine; L-Liothyronine; L-T3; L-Triiodothyronine; Liothyronin; Liothyronine; O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-Tyrosine; T3; Tresitope; Triiodo-L-thyronine; Triiodothyronine; 3,3',5'-triiodo-L-thyronineH2Blood; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ007266	GPVRY 	C27H42N8O7	590.3177	NA	PeJP	NA	NA
+PJ007267	ATLMR 	C24H46N8O7S	590.321	NA	PeJP	NA	NA
+PJ007268	GGAKKM 	C24H46N8O7S	590.3211	NA	PeJP	NA	NA
+PJ007269	TTLKE 	C25H46N6O10	590.3276	NA	PeJP	NA	NA
+PJ007270	PRRY 	C26H42N10O6	590.3289	NA	PeJP	NA	NA
+PJ007271	GCKKR 	C23H46N10O6S	590.3323	NA	PeJP	NA	NA
+MJ083759	2-[1,4'-Bipiperidin]-1'-yl-1-[2-[(4-chlorophenoxy)methyl]-1-[3-(3-piperidinyl)propyl]-1H-indol-3-yl]ethanone 	C35H47ClN4O2	590.338754	NA	MeJP	NA	NA
+PJ007272	TTTLR 	C24H46N8O9	590.3388	NA	PeJP	NA	NA
+PJ007273	APLKY 	C29H46N6O7	590.3428	NA	PeJP	NA	NA
+MJ083760	Viridominic acid A; 11?-Alcohol 	C33H50O9	590.345483	NA	MeJP	NA	NA
+PJ007274	SLLKM 	C26H50N6O7S	590.3462	NA	PeJP	NA	NA
+PJ007275	GVLFR 	C28H46N8O6	590.3541	NA	PeJP	NA	NA
+PJ007276	GKKKM 	C25H50N8O6S	590.3574	NA	PeJP	NA	NA
+MJ083761	Hunteriamine 	C38H46N4O2	590.362076	NA	MeJP	NA	NA
+MJ083762	Panganensine X 	C38H46N4O2	590.362076	NA	MeJP	NA	NA
+PJ007277	LFRR 	C27H46N10O5	590.3653	NA	PeJP	NA	NA
+MJ083763	Benextramine 	C32H54N4O2S2	590.368818	NA	MeJP	NA	NA
+PJ007278	STKKK 	C25H50N8O8	590.3752	NA	PeJP	NA	NA
+PJ007279	ALLKF 	C30H50N6O6	590.3792	NA	PeJP	NA	NA
+MJ083764	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 18-Et ether, 7-decanoyl, 19-Ac 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083765	6,7-Epoxy-4,5,9,13,20-pentahydroxy-1-tiglien-3-one, 13-Tetradecanoyl 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083766	Ergosterol peroxide; 3-O-?-D-Glucopyranoside 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083767	Fusapyrone; 26-Deoxy 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083768	Huratoxin; 1,2,2',3',4',5'-Hexahydro 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083769	Huratoxin; 15,16,2',3',4',5'-Hexahydro 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083770	Isolasalocid A 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083771	Lasalocid A 	C34H54O8	590.381868	NA	MeJP	NA	NA
+MJ083772	12-Oleanene-1,3,23-triol, 3-O-?-L-Arabinopyranoside 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083773	12-Oleanene-3,15,16,21,22,28-hexol, 22-(3-Methylbutanoyl) 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083774	12-Oleanene-3,16,21,22,23,28-hexol, 21-(2-Methylbutanoyl) 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083775	12-Oleanene-3,16,21,22,23,28-hexol, 21-(3-Methylbutanoyl) 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083776	12-Oleanene-3,22,24-triol, 3-O-?-L-Arabinopyranoside 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083777	Cucurbita-5,24-diene-3,7,16-triol, 3-O-?-D-Xylopyranoside 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083778	Stigmast-5-en-3-ol, O-?-D-Glucuronopyranoside 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083779	Stigmast-5-ene-3,7-diol, 7-Ketone, 3-O-?-D-glucopyranoside 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083780	Stigmasta-5,28-diene-3,24-diol, 3-O-?-D-Glucopyranoside 	C35H58O7	590.418254	NA	MeJP	NA	NA
+MJ083781	Staphinine; Demethoxy 	C41H54N2O	590.423614	NA	MeJP	NA	NA
+C17568	Ubiquinone-6	C39H58O4	590.4335	NA	KEGG	NA	NA
+MJ083782	3,20-Lupanediol, 3-(4-Hydroxy-E-cinnamoyl) 	C39H58O4	590.43351	NA	MeJP	NA	NA
+MJ083783	3,20-Lupanediol, 3-(4-Hydroxy-Z-cinnamoyl) 	C39H58O4	590.43351	NA	MeJP	NA	NA
+MJ083784	7,8-Dimethoxy-2,5-dimethyl-2-(4,8,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-2H-1-benzopyran-6-ol 	C39H58O4	590.43351	NA	MeJP	NA	NA
+MJ083785	Coenzyme Q; Coenzyme Q6 	C39H58O4	590.43351	NA	MeJP	NA	NA
+MJ083786	Dammar-24-ene-3,20-diol, 3-(4-Hydroxycinnamoyl)(E-) 	C39H58O4	590.43351	NA	MeJP	NA	NA
+MJ083787	Stigmast-5-en-3-ol, O-(4-Hydroxy-3-methoxycinnamoyl) 	C39H58O4	590.43351	NA	MeJP	NA	NA
+MetaCyc03929	ubiquinone-6 [ubiquinone(6);]	C39H58O4	590.43351	NA	metacyc	NA	NA
+MJ083788	Lanceolactin 	C40H62O3	590.469895	NA	MeJP	NA	NA
+MJ083789	ent-16?-Hydroxykauran-17-yl ent-15-kauren-17-oate 	C40H62O3	590.469895	NA	MeJP	NA	NA
+MJ083790	1-Pentacosene-4,6,8,10,12,14,16,22-octol, Octa-Me ether 	C33H66O8	590.475769	NA	MeJP	NA	NA
+MJ083791	Annojahnin 	C37H66O5	590.491025	NA	MeJP	NA	NA
+MJ083792	Uvariamicin I; 23,24-Didehydro(Z-) 	C37H66O5	590.491025	NA	MeJP	NA	NA
+HMDB07023	DG(14:0/20:3(5Z,8Z,11Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07024	DG(14:0/20:3(8Z,11Z,14Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07051	DG(14:1(9Z)/20:2(11Z,14Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07104	DG(16:0/18:3(6Z,9Z,12Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07105	DG(16:0/18:3(9Z,12Z,15Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07132	DG(16:1(9Z)/18:2(9Z,12Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07244	DG(18:2(9Z,12Z)/16:1(9Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07272	DG(18:3(6Z,9Z,12Z)/16:0/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07301	DG(18:3(9Z,12Z,15Z)/16:0/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07415	DG(20:2(11Z,14Z)/14:1(9Z)/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07443	DG(20:3(5Z,8Z,11Z)/14:0/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB07472	DG(20:3(8Z,11Z,14Z)/14:0/0:0)	C37H66O5	590.491028	NA	HMDB2010	NA	NA
+HMDB05224	DG(16:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]	C37H66O5	590.49103	http://www.hmdb.ca/metabolites/HMDB05224	HMDB	NA	NA
+HMDB05224	DG(16:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]	C37H66O5	590.49103	HMDB05224	PFEM_hmdb_metabocards_official	NA	NA
+MJ083793	1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 11,12-Dihydro, 1'-Me ether 	C41H66O2	590.506281	NA	MeJP	NA	NA
+MJ083794	2-[14-[3-(1,5-Dimethylhexyl)cyclopentyl]-3,7,11-trimethyltetradecyl]-3-methyl-1,4-naphthoquinone 	C41H66O2	590.506281	NA	MeJP	NA	NA
+C17566	Coixenolide	C38H70O4	590.5274	NA	KEGG	NA	NA
+MJ083795	Coixenolide 	C38H70O4	590.52741	NA	MeJP	NA	NA
+MJ083796	1-Phytanoic acid, 2-Phytenyl ester (E-) 	C40H78O2	590.600181	NA	MeJP	NA	NA
+MJ083797	Lycopadiene; 13R,14R:13'S,14'S-Diepoxide 	C40H78O2	590.600181	NA	MeJP	NA	NA
+MetaCyc03930	trans-zeatin riboside triphosphate [ZTP;zeatin triphosphate;tZRTP;]	C15H24N5O14P3	591.05326	NA	metacyc	NA	NA
+C16428	trans-Zeatin riboside triphosphate	C15H24N5O14P3	591.0533	NA	KEGG	NA	NA
+MJ083798	Vancomycinic acid; 3-Dechloro 	C26H26ClN3O11	591.125586	NA	MeJP	NA	NA
+PJ007280	CCDDH 	C20H29N7O10S2	591.1418	NA	PeJP	NA	NA
+MJ083799	3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-2-propenamide 	C30H27Cl2N5O4	591.144009	NA	MeJP	NA	NA
+PJ007281	TCCCY 	C22H33N5O8S3	591.1491	NA	PeJP	NA	NA
+PJ007282	NNDDD 	C20H29N7O14	591.1773	NA	PeJP	NA	NA
+PJ007283	SCDMH 	C21H33N7O9S2	591.1781	NA	PeJP	NA	NA
+PJ007284	GCCFY 	C26H33N5O7S2	591.1822	NA	PeJP	NA	NA
+PJ007285	PDDDM 	C22H33N5O12S	591.1847	NA	PeJP	NA	NA
+PJ007286	GSPCND 	C21H33N7O11S	591.1959	NA	PeJP	NA	NA
+PJ007287	ACMMH 	C22H37N7O6S3	591.1968	NA	PeJP	NA	NA
+PJ007288	GSCYY 	C26H33N5O9S	591.1999	NA	PeJP	NA	NA
+MJ083800	?-D-Neuraminopyranosyl-(2?3)-?-D-galactopyranosyl-(1?4)-D-glucose; Pyranose-form 	C21H37NO18	591.201063	NA	MeJP	NA	NA
+MJ083801	Antibiotic C 8030B 	C22H33N5O14	591.2024	NA	MeJP	NA	NA
+PJ007289	GEEEE 	C22H33N5O14	591.2024	NA	PeJP	NA	NA
+PJ007290	CNNNQ 	C20H33N9O10S	591.2071	NA	PeJP	NA	NA
+PJ007291	GGGGGGCQ 	C20H33N9O10S	591.2072	NA	PeJP	NA	NA
+PJ007292	GCEHF 	C25H33N7O8S	591.2112	NA	PeJP	NA	NA
+PJ007293	SNNEE 	C21H33N7O13	591.2137	NA	PeJP	NA	NA
+PJ007294	SSMMH 	C22H37N7O8S2	591.2145	NA	PeJP	NA	NA
+PJ007295	EEEW 	C26H33N5O11	591.2177	NA	PeJP	NA	NA
+PJ007296	SPEEM 	C23H37N5O11S	591.2211	NA	PeJP	NA	NA
+PJ007297	GSSNNN 	C20H33N9O12	591.2249	NA	PeJP	NA	NA
+PJ007298	PCCNR 	C21H37N9O7S2	591.2258	NA	PeJP	NA	NA
+PJ007299	CHFW 	C29H33N7O5S	591.2264	NA	PeJP	NA	NA
+PJ007300	GSNEW 	C25H33N7O10	591.2289	NA	PeJP	NA	NA
+MJ083802	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,2,6,14-tetra-Ac 	C29H37NO12	591.231575	NA	MeJP	NA	NA
+PJ007301	GQQEM 	C22H37N7O10S	591.2323	NA	PeJP	NA	NA
+PJ007302	PPCEF 	C27H37N5O8S	591.2363	NA	PeJP	NA	NA
+PJ007303	SVEEE 	C23H37N5O13	591.2388	NA	PeJP	NA	NA
+PJ007304	PVDMM 	C24H41N5O8S2	591.2397	NA	PeJP	NA	NA
+PJ007305	SPDHH 	C24H33N9O9	591.2402	NA	PeJP	NA	NA
+PJ007306	GNDMR 	C21H37N9O9S	591.2435	NA	PeJP	NA	NA
+PJ007307	SNWW 	C29H33N7O7	591.2442	NA	PeJP	NA	NA
+MJ083803	Rocaglatic acid; 4-Hydroxybutylamide, 1-Ac 	C33H37NO9	591.246831	NA	MeJP	NA	NA
+PJ007308	QQMW 	C26H37N7O7S	591.2475	NA	PeJP	NA	NA
+PJ007309	GGAAMW 	C26H37N7O7S	591.2476	NA	PeJP	NA	NA
+PJ007310	SNDKE 	C22H37N7O12	591.25	NA	PeJP	NA	NA
+PJ007311	GGSDKE 	C22H37N7O12	591.2501	NA	PeJP	NA	NA
+PJ007312	PCNKM 	C23H41N7O7S2	591.2509	NA	PeJP	NA	NA
+PJ007313	GNQHH 	C23H33N11O8	591.2514	NA	PeJP	NA	NA
+PJ007314	SPPEY 	C27H37N5O10	591.2541	NA	PeJP	NA	NA
+PJ007315	ALEEM 	C24H41N5O10S	591.2574	NA	PeJP	NA	NA
+PJ007316	CQRW 	C25H37N9O6S	591.2588	NA	PeJP	NA	NA
+PJ007317	SSNER 	C21H37N9O11	591.2613	NA	PeJP	NA	NA
+MJ083804	Antibiotic SF 2240 	C26H37N7O9	591.265275	NA	MeJP	NA	NA
+PJ007318	GSDKW 	C26H37N7O9	591.2653	NA	PeJP	NA	NA
+PJ007319	GQKEM 	C23H41N7O9S	591.2687	NA	PeJP	NA	NA
+PJ007320	PPCLY 	C28H41N5O7S	591.2727	NA	PeJP	NA	NA
+PJ007321	TTLEE 	C24H41N5O12	591.2752	NA	PeJP	NA	NA
+PJ007322	PTLMM 	C25H45N5O7S2	591.2761	NA	PeJP	NA	NA
+PJ007323	GSSRW 	C25H37N9O8	591.2765	NA	PeJP	NA	NA
+2733	regulating the frequency of heart muscles contraction peptide	DRFGDKDIAF	591.27685	MH2+	Inhouse_peptide	NA	peptide
+2939	myelopeptide	VVYPD	591.2779	celiac toxic	Inhouse_peptide	NA	peptide
+PJ007324	GTQMR 	C22H41N9O8S	591.2799	NA	PeJP	NA	NA
+PJ007325	AAHFF 	C30H37N7O6	591.2806	NA	PeJP	NA	NA
+PJ007326	QKMW 	C27H41N7O6S	591.2839	NA	PeJP	NA	NA
+PJ007327	STQKE 	C23H41N7O11	591.2864	NA	PeJP	NA	NA
+PJ007328	GNKHH 	C24H37N11O7	591.2878	NA	PeJP	NA	NA
+PJ007329	APLEY 	C28H41N5O9	591.2905	NA	PeJP	NA	NA
+PJ007330	GTCRR 	C21H41N11O7S	591.2911	NA	PeJP	NA	NA
+PJ007331	LHHW 	C29H37N9O5	591.2918	NA	PeJP	NA	NA
+PJ007332	SLLEM 	C25H45N5O9S	591.2938	NA	PeJP	NA	NA
+PJ007333	CKRW 	C26H41N9O5S	591.2952	NA	PeJP	NA	NA
+PJ007334	SSDKR 	C22H41N9O10	591.2977	NA	PeJP	NA	NA
+PJ007335	GTTKW 	C27H41N7O8	591.3017	NA	PeJP	NA	NA
+MJ083805	Viridiofungin A 	C31H45NO10	591.304346	NA	MeJP	NA	NA
+PJ007336	TCLQK 	C24H45N7O8S	591.305	NA	PeJP	NA	NA
+PJ007337	GKKEM 	C24H45N7O8S	591.3051	NA	PeJP	NA	NA
+MJ083806	Amphibine H; N-De-Me 	C32H41N5O6	591.305684	NA	MeJP	NA	NA
+MJ083807	Mauritine E 	C32H41N5O6	591.305684	NA	MeJP	NA	NA
+MJ083808	Nummularine N 	C32H41N5O6	591.305684	NA	MeJP	NA	NA
+MJ083809	?-Ergocryptine; 8?-Hydroxy 	C32H41N5O6	591.305684	NA	MeJP	NA	NA
+PJ007338	SSSRR 	C21H41N11O9	591.3089	NA	PeJP	NA	NA
+PJ007339	PVVMF 	C29H45N5O6S	591.3091	NA	PeJP	NA	NA
+MJ083810	Fluphenazine; Decanoyl 	C32H44F3N3O2S	591.310632	NA	MeJP	NA	NA
+PJ007340	VVLMM 	C26H49N5O6S2	591.3125	NA	PeJP	NA	NA
+PJ007341	AAQFR 	C26H41N9O7	591.3129	NA	PeJP	NA	NA
+3087	gluten C exorphin	YPISL	591.315	celiac toxic	Inhouse_peptide	NA	peptide
+3788	NA	YPLSL	591.315	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ007342	GTKMR 	C23H45N9O7S	591.3163	NA	PeJP	NA	NA
+PJ007343	KKMW 	C28H45N7O5S	591.3203	NA	PeJP	NA	NA
+PJ007344	STKKE 	C24H45N7O10	591.3228	NA	PeJP	NA	NA
+PJ007345	NFRR 	C25H41N11O6	591.3241	NA	PeJP	NA	NA
+PJ007346	GGFRR 	C25H41N11O6	591.3242	NA	PeJP	NA	NA
+PJ007347	SPLLY 	C29H45N5O8	591.3268	NA	PeJP	NA	NA
+EUR790	Lyso PC 22:5 [M+Na]+	C30H52NO7P	591.330088	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR790	Lyso PC 22:5 [M+Na]+	C30H52NO7P	591.330088	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR790	Lyso PC 22:5 [M+Na]+	C30H52NO7P	591.330088	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR790	Lyso PC 22:5 [M+Na]+	C30H52NO7P	591.330088	masses lipides attendues	Inhousejuil11	NA	NA
+PJ007348	STTKR 	C23H45N9O9	591.334	NA	PeJP	NA	NA
+PJ007349	GPKKY 	C28H45N7O7	591.3381	NA	PeJP	NA	NA
+MJ083811	Germine; O15-Angeloyl 	C32H49NO9	591.340732	NA	MeJP	NA	NA
+MJ083812	Veracevine; 3-(Z)-2-Methyl-2-butenoyl 	C32H49NO9	591.340732	NA	MeJP	NA	NA
+PJ007350	SVKKM 	C25H49N7O7S	591.3414	NA	PeJP	NA	NA
+MJ083813	Discarine K 	C33H45N5O5	591.342069	NA	MeJP	NA	NA
+PJ007351	AAKFR 	C27H45N9O6	591.3493	NA	PeJP	NA	NA
+EUR762	Lyso PC 20:3 [M+FA-H]-	C28H52NO7P	591.353022	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR762	Lyso PC 20:3 [M+FA-H]-	C28H52NO7P	591.353022	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR762	Lyso PC 20:3 [M+FA-H]-	C28H52NO7P	591.353022	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR762	Lyso PC 20:3 [M+FA-H]-	C28H52NO7P	591.353022	masses lipides attendues	Inhousejuil11	NA	NA
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR584	LysoPC(20:3)	[M+FA-H]-	591.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+MJ083814	Destruxin A4 	C30H49N5O7	591.363198	NA	MeJP	NA	NA
+MJ083815	Destruxin A; Destruxin A1 	C30H49N5O7	591.363198	NA	MeJP	NA	NA
+MJ083816	Roseotoxin B 	C30H49N5O7	591.363198	NA	MeJP	NA	NA
+PJ007352	ALLLY 	C30H49N5O7	591.3632	NA	PeJP	NA	NA
+MJ083817	Beauverolide C 	C35H49N3O5	591.367221	NA	MeJP	NA	NA
+PJ007353	GLKKF 	C29H49N7O6	591.3745	NA	PeJP	NA	NA
+MJ083818	Cevane-3,6,20-triol, 6-Ketone, 3-O-?-D-glucopyranoside 	C33H53NO8	591.377117	NA	MeJP	NA	NA
+MJ083819	Imperialine; O3-?-D-Glucoside 	C33H53NO8	591.377117	NA	MeJP	NA	NA
+MJ083820	Myxovirescin A; Myxovirescin A1, 33-Demethoxy, 2,3-didehydro 	C34H57NO7	591.413503	NA	MeJP	NA	NA
+MJ083821	Ningpeisine; O-?-D-Glucopyranoside 	C34H57NO7	591.413503	NA	MeJP	NA	NA
+MJ083822	Rhinolidine; 3-O-?-D-Glucopyranoside 	C34H57NO7	591.413503	NA	MeJP	NA	NA
+EUR806	Lyso PC 24:1 [M-H-CH3]-	C32H64NO7P	591.426392	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR806	Lyso PC 24:1 [M-H-CH3]-	C32H64NO7P	591.426392	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR806	Lyso PC 24:1 [M-H-CH3]-	C32H64NO7P	591.426392	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR806	Lyso PC 24:1 [M-H-CH3]-	C32H64NO7P	591.426392	masses lipides attendues	Inhousejuil11	NA	NA
+MJ083823	Ocular age pigment A2-E 	C42H58NO(+)	591.444015	NA	MeJP	NA	NA
+MJ083824	35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol 	C36H65NO5	591.486274	NA	MeJP	NA	NA
+MJ083825	2,2',3,4,4'-Pentabromo-6,6'-dihydroxydiphenyl ether 	C12H5Br5O3	591.615557	NA	MeJP	NA	NA
+MJ083826	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 3-Bromo 	C12H5Br5O3	591.615557	NA	MeJP	NA	NA
+MJ083827	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 5-Bromo 	C12H5Br5O3	591.615557	NA	MeJP	NA	NA
+MJ083828	Rubrolide E; 3',3'',5',5''-Tetrabromo 	C17H8Br4O4	591.715609	NA	MeJP	NA	NA
+3989	Human urotensin II	ETPDCFWKYCV	591.76995	MH2+	Inhouse_peptide	NA	peptide
+3664	NA	RNIAEIIKDI	591.8399	MH2+	Inhouse_peptide	NA	peptide
+MJ083829	Isoplagiochin C; 2,6',8',10,10'-Pentachloro 	C28H17Cl5O4	591.956947	NA	MeJP	NA	NA
+MJ083830	Isoplagiochin C; 6',8',10,10',14'-Pentachloro 	C28H17Cl5O4	591.956947	NA	MeJP	NA	NA
+MJ083831	Sirodesmin A; Tetrasulfide homologue, 2a-Ac 	C22H28N2O9S4	592.067763	NA	MeJP	NA	NA
+MJ083832	Glochiin M1 	C26H24O16	592.106434	NA	MeJP	NA	NA
+MJ083833	1,2,4,7,8-Pentahydroxy-3-(4-hydroxyphenyl)dibenzofuran; Hexa-Ac 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083834	3,3',4',5',7-Pentahydroxyflavan(4?2')-3,3',4',5',7-pentahydroxyflavanone 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083835	3,3',4',5',7-Pentahydroxyflavan(4?6)-3,3',4',5',7-pentahydroxyflavanone 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083836	3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5',7-pentahydroxyflavanone 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083837	3,3',4',5,5',7-Hexahydroxyflavan-(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083838	3,3',4',5,7-Pentahydroxyflavan(2'?2')-3,3',4',5,7-pentahydroxyflavanone 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083839	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavanone, 5'''-Hydroxy 	C30H24O13	592.12169	NA	MeJP	NA	NA
+MJ083840	Mulberrofuran Q 	C34H24O10	592.136946	NA	MeJP	NA	NA
+MJ083841	Stentorin 	C34H24O10	592.136946	NA	MeJP	NA	NA
+MJ083842	3',4',5,7-Tetrahydroxyflavone; 7-O-[3''-O-Acetyl-?-D-apiofuranosyl-(1?2)-?-D-xylopyranoside] 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MJ083843	3',4',5,7-Tetrahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaryl-(?6)-?-D-glucopyranoside] 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MJ083844	4',5,6,7-Tetrahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(1?6)-?-D-glucopyranoside] 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MJ083845	4',5,7-Trihydroxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-?-D-glucuronopyranoside 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MJ083846	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galacturonopyranoside] 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MJ083847	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MJ083848	Astragalin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) 	C27H28O15	592.14282	NA	MeJP	NA	NA
+MetaCyc03931	apigenin 7-O-neohesperidoside []	C27H28O15	592.14282	NA	metacyc	NA	NA
+FL3FAAGS0024	Apigenin 7-rhamnosyl-(1->2)-galacturonide	C27H28O15	592.14282	124167-97-1	knapsack	NA	NA
+FL3FAAGS0028	Apigenin 7-glucuronide-4'-rhamnoside	C27H28O15	592.14282	58970-78-8	knapsack	NA	NA
+FL3FACGS0056	Luteolin 7-(3'''-acetylapiosyl-(1->2)-xyloside)	C27H28O15	592.14282	63902-77-2	knapsack	NA	NA
+FL3FACGS0067	Luteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C27H28O15	592.14282	151750-81-1	knapsack	NA	NA
+FL3FEAGS0029	6-Hydroxyapigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];Scutellarein 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H28O15	592.14282	151750-82-2	knapsack	NA	NA
+FL5FAAGL0063	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H28O15	592.14282	157407-84-6	knapsack	NA	NA
+FL5FAIGL0005	3',5'-O-Dimethylmyricetin 3-O-beta-D-2'',3''-diacetylglucopyranoside;Syringetin 3-(2'',3''-diacetylglucoside);3-[(2,3-Di-O-acetyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C27H28O15	592.14282	600736-89-8	knapsack	NA	NA
+MJ083849	7a,8a,15b,15c-Tetrahydro-1,7a,8a,15-tetrahydroxy-6,10-diphenyl-7H,9H-diphenaleno[1,2-b:1,2-d]furan-7,9-dione 	C38H24O7	592.152203	NA	MeJP	NA	NA
+MJ083850	2-Decarboxybetanidin; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C26H29N2O14(+)	592.154053	NA	MeJP	NA	NA
+PJ007354	CCCQH 	C20H32N8O7S3	592.1556	NA	PeJP	NA	NA
+MJ083851	3',4',5,7-Tetrahydroxyisoflavone; 7-Me ether, 3'-O-[3-O-E-cinnamoyl-?-D-glucopyranoside] 	C31H28O12	592.158076	NA	MeJP	NA	NA
+MJ083852	3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 5'''-Hydroxy, 4'''-Me ether 	C31H28O12	592.158076	NA	MeJP	NA	NA
+MJ083853	Aurasperone C 	C31H28O12	592.158076	NA	MeJP	NA	NA
+MJ083854	Fomidacillin 	C24H28N6O10S	592.158761	NA	MeJP	NA	NA
+PJ007355	NDDDD 	C20H28N6O15	592.1613	NA	PeJP	NA	NA
+PJ007356	GSSCCH 	C20H32N8O9S2	592.1734	NA	PeJP	NA	NA
+C04275	1,2-Bis-O-sinapoyl-beta-D-glucoside	C28H32O14	592.1792	NA	KEGG	NA	NA
+C04276	1,6-alpha-D-Mannosyloligosaccharide	C12H21O10	592.1792	NA	KEGG	NA	NA
+C12629	7-O-Methylvitexin 2''-O-beta-L-rhamnoside	C28H32O14	592.1792	NA	KEGG	NA	NA
+FL2F1AGS0005	Liquiritigenin 7-(3-acetylapiofuranoside)-4'-glucoside;7,4'-Dihydroxyflavanone 7-(3-acetylapiofuranoside)-4'-glucoside	C28H32O14	592.1792	199796-13-9	knapsack	NA	NA
+FL2F1AGS0006	Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside];7,4'-Dihydroxyflavanone 4'-[3-acetylapiosy-l(1->2)-glucoside]	C28H32O14	592.1792	226946-10-7	knapsack	NA	NA
+FL3FABCS0004	Isomargaritene	C28H32O14	592.1792	64271-11-0	knapsack	NA	NA
+FL3FABCS0005	Margaritene	C28H32O14	592.1792	64271-10-9	knapsack	NA	NA
+FL3FABCS0008	Isocytisoside 3''-O-alpha-L-rhamnopyranoside;6-[3-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O14	592.1792	71926-07-3	knapsack	NA	NA
+FL3FABCS0011	Cytisoside 3''-O-beta-D-rhamnopyranoside	C28H32O14	592.1792	360562-72-7	knapsack	NA	NA
+FL3FABGS0005	Acacetin 7-rutinoside	C28H32O14	592.1792	480-36-4	knapsack	NA	NA
+FL3FABGS0006	Acacetin 7-neohesperidoside	C28H32O14	592.1792	20633-93-6	knapsack	NA	NA
+FL3FADCS0021	2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteoiin	C28H32O14	592.1792	-	knapsack	NA	NA
+FL3FAEDS0001	Torosaflavone B 3'-O-beta-D-glucopyranoside	C28H32O14	592.1792	141360-87-4	knapsack	NA	NA
+FL3FBBGS0001	5,4'-Dimethoxyflavone 7-xylosyl-(1->6)-glucoside;5-Methoxy-2-(4-methoxyphenyl)-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C28H32O14	592.1792	251660-68-1	knapsack	NA	NA
+FL3FCACS0016	Swertisin 2''-O-rhamnoside	C28H32O14	592.1792	83889-78-5	knapsack	NA	NA
+FL3FCACS0018	Fagovatin	C28H32O14	592.1792	113919-56-5	knapsack	NA	NA
+FL3FCACS0021	Isoswertisin 2''-O-rhamnoside	C28H32O14	592.1792	64821-00-7	knapsack	NA	NA
+FL3FCADS0002	Flavocummelin;Swertisin 4'-O-rhamnoside	C28H32O14	592.1792	68027-86-1	knapsack	NA	NA
+FL3FCADS0006	Isoswertisin 4'-O-rhamnoside	C28H32O14	592.1792	83668-89-7	knapsack	NA	NA
+FL3FCBCS0004	Isomollupentin 7,4'-dimethyl ether 2''-O-glucoside	C28H32O14	592.1792	77390-44-4	knapsack	NA	NA
+FL3FCBCS0009	7,4'-Di-O-Methylisomollupentin 2''-O-glucoside	C28H32O14	592.1792	-	knapsack	NA	NA
+FL3FE9GS0012	Baicalein 6-methyl ether 7-glucosyl-(1->3)-rhamnoside	C28H32O14	592.1792	-	knapsack	NA	NA
+FL5FA9GL0003	Cannabin	C28H32O14	592.1792	26260-14-0	knapsack	NA	NA
+FL5FABGS0007	Kaempferide 3,7-dirhamnoside	C28H32O14	592.1792	111128-11-1	knapsack	NA	NA
+FLIA1AGS0007	Formononetin 7-O-laminaribioside	C28H32O14	592.1792	56222-47-0	knapsack	NA	NA
+FLIA3AGS0001	Retusin 7-O-neohesperidoside	C28H32O14	592.1792	78386-04-6	knapsack	NA	NA
+FLIAABGS0002	Biochanin A 7-O-rutinoside	C28H32O14	592.1792	53840-60-1	knapsack	NA	NA
+MJ083855	1,3,6-Trihydroxy-7-methylanthraquinone; 1-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083856	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083857	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083858	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083859	1,3-Dihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-?-gentiobioside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083860	2',5,7-Trihydroxyflavanone, 2'-Me ether, 7-glycoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083861	2,3:4,5-Diepoxy-8,9,13,14-tetrahydroxy-1(10),7(11)-germacradien-12,6-olide, 8-(2,3-Epoxy-2-methylpropanoyl), 14-(4-hydroxy-3-methyl-2E-butenoyl), 9,13-di-Ac 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083862	3',4',7-Trihydroxyisoflavone; 4'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083863	3,5,7-Trihydroxy-4'-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083864	3,5,7-Trihydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083865	4',5,7-Trihydroxyflavone; 4',5-Di-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083866	4',5-Dihydroxy-7-methoxyflavone; 4'-O-[Glucosyl-(1??)-rhamnoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083867	4',5-Dihydroxy-7-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083868	4',5-Dihydroxy-7-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083869	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083870	4',7,8-Trihydroxyisoflavone; 4'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083871	4',7-Dihydroxyflavanone, 4'-O-[3-O-Acetyl-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083872	4',7-Dihydroxyflavanone, 7-O-(3-O-Acetyl-?-D-apiofuranoside), 4'-O-?-D-glucopyranoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083873	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083874	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083875	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083876	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-(Rhamnosylglucoside) 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083877	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-Rutinoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083878	5,7-Dihydroxy-6-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083879	5-Hydroxy-4',7-dimethoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083880	7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083881	7-Hydroxy-4'-methoxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083882	Isocytisoside; 2''-O-?-L-Rhamnopyranosyl 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083883	Isocytisoside; 3''-O-?-L-Rhamnopyranosyl 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083884	Isomollupentin; 4',7-Di-Me ether, 2''-O-?-D-glucopyranoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083885	Maysin; 4''?-Alcohol, 3'-Me ether 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083886	Picrodendrin N 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083887	Swertiamarin; 4'-(4-Hydroxy-3-methoxycinnamoyl)(E-), 2'-Ac 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083888	Swertiamarin; 4'-(4-Hydroxy-3-methoxycinnamoyl)(Z-), 2'-Ac 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083889	Swertisin; 2''-O-?-L-Rhamnopyranosyl 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083890	Swertisin; 4'-O-?-L-Rhamnopyranoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083891	Swertisin; 6''-O-?-L-Rhamnopyranosyl 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083892	Torosaflavone B; 3'-O-?-D-Glucopyranoside 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083893	Vitexin; 4'-Me ether, 2''-O-?-L-rhamnopyranosyl 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MJ083894	Vitexin; 7-Me ether, 2''-O-?-L-rhamnopyranosyl 	C28H32O14	592.179205	NA	MeJP	NA	NA
+MetaCyc03932	7-O-methylvitexin 2-O-&beta;-L-rhamnoside''$$$''$$$'' []	C28H32O14	592.179206	NA	metacyc	NA	NA
+MetaCyc03933	1,2-di-O-sinapoyl-&beta;-D-glucose [1,2-bis-O-sinapoyl-&beta;-D-glucoside;]	C28H32O14	592.179206	NA	metacyc	NA	NA
+PJ007357	GSPCDD 	C21H32N6O12S	592.1799	NA	PeJP	NA	NA
+PJ007358	APPCCC 	C22H36N6O7S3	592.1808	NA	PeJP	NA	NA
+PJ007359	CNNNE 	C20H32N8O11S	592.1911	NA	PeJP	NA	NA
+PJ007360	GGCNNE 	C20H32N8O11S	592.1912	NA	PeJP	NA	NA
+PJ007361	CCCKH 	C21H36N8O6S3	592.192	NA	PeJP	NA	NA
+PJ007362	SNDEE 	C21H32N6O14	592.1977	NA	PeJP	NA	NA
+PJ007363	PCNEM 	C22H36N6O9S2	592.1985	NA	PeJP	NA	NA
+PJ007364	GGPCEM 	C22H36N6O9S2	592.1986	NA	PeJP	NA	NA
+MJ083895	Phoeniceroside 	C25H36O16	592.200335	NA	MeJP	NA	NA
+PJ007365	GCNNW 	C24H32N8O8S	592.2064	NA	PeJP	NA	NA
+PJ007366	GSSNND 	C20H32N8O13	592.2089	NA	PeJP	NA	NA
+PJ007367	PCCDR 	C21H36N8O8S2	592.2098	NA	PeJP	NA	NA
+PJ007368	GSDEW 	C25H32N6O11	592.2129	NA	PeJP	NA	NA
+PJ007369	GPCMW 	C26H36N6O6S2	592.2138	NA	PeJP	NA	NA
+MJ083896	8-Hydroxypinoresinol; 4'-Me ether, 8-Ac, 4-O-?-D-glucopyranoside 	C29H36O13	592.215591	NA	MeJP	NA	NA
+MJ083897	Campneoside I; Demethoxy, 3',4'-dideoxy 	C29H36O13	592.215591	NA	MeJP	NA	NA
+PJ007370	GQEEM 	C22H36N6O11S	592.2163	NA	PeJP	NA	NA
+MJ083898	Maytansinol; N-De-Me, 3-Ac 	C29H37ClN2O9	592.218758	NA	MeJP	NA	NA
+MJ083899	Punjabine 	C35H32N2O7	592.220951	NA	MeJP	NA	NA
+PJ007371	GDDMR 	C21H36N8O10S	592.2275	NA	PeJP	NA	NA
+PJ007372	GGGGGGTM 	C21H36N8O10S	592.2276	NA	PeJP	NA	NA
+PJ007373	SDWW 	C29H32N6O8	592.2282	NA	PeJP	NA	NA
+MJ083900	Gaudichaudiic acid C 	C33H36O10	592.230847	NA	MeJP	NA	NA
+MJ083901	Nomilinic acid; Lactone, O-de-Ac, O-(4-hydroxybenzoyl) 	C33H36O10	592.230847	NA	MeJP	NA	NA
+PJ007374	QEMW 	C26H36N6O8S	592.2316	NA	PeJP	NA	NA
+PJ007375	TTNEE 	C22H36N6O13	592.234	NA	PeJP	NA	NA
+PJ007376	STQEE 	C22H36N6O13	592.2341	NA	PeJP	NA	NA
+PJ007377	SPQMM 	C23H40N6O8S2	592.2349	NA	PeJP	NA	NA
+PJ007378	GNEHH 	C23H32N10O9	592.2354	NA	PeJP	NA	NA
+MJ083902	Cholest-5-ene-2,3,4,21-tetrol, 24,25-Didehydro, 3,21-disulfate 	C27H44O10S2	592.237589	NA	MeJP	NA	NA
+MJ083903	Cholesta-5,25-diene-3,4,21,24-tetrol, 3,21-Disulfate 	C27H44O10S2	592.237589	NA	MeJP	NA	NA
+PJ007379	SCNNR 	C20H36N10O9S	592.2388	NA	PeJP	NA	NA
+MJ083904	Reserpic acid; O-(3-Methoxy-4,5-methylenedioxybenzoyl), Me ester 	C32H36N2O9	592.24208	NA	MeJP	NA	NA
+PJ007380	CERW 	C25H36N8O7S	592.2428	NA	PeJP	NA	NA
+PJ007381	SSDER 	C21H36N8O12	592.2453	NA	PeJP	NA	NA
+PJ007382	SPCMR 	C22H40N8O7S2	592.2462	NA	PeJP	NA	NA
+PJ007383	AMWW 	C30H36N6O5S	592.2468	NA	PeJP	NA	NA
+PJ007384	GTTEW 	C26H36N6O10	592.2493	NA	PeJP	NA	NA
+PJ007385	NHHW 	C27H32N10O6	592.2506	NA	PeJP	NA	NA
+PJ007386	GGHHW 	C27H32N10O6	592.2507	NA	PeJP	NA	NA
+MJ083905	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083906	1,7-Bis(4-hydroxyphenyl)-3-heptanone; 4''-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083907	2,3,5,7,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, Penta-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083908	4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylpropanoyl), 6,19-di-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083909	4,18:15,16-Diepoxy-13(16),14-clerodadiene-3,6,12,19,20-pentol, Penta-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083910	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3-Ketone, 6,7,9,14,20-penta-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083911	8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 3-Butanoyl, 2,9,14-tri-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083912	8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 12-Butanoyl, 2,4,9-tri-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083913	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2-butanoyl, 4,9,14-tri-Ac 	C30H40O12	592.251976	NA	MeJP	NA	NA
+MJ083914	Acerogenin A, 12-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H40O12	592.251976	NA	MeJP	NA	NA
+PJ007387	GKEEM 	C23H40N6O10S	592.2527	NA	PeJP	NA	NA
+PJ007388	TFYY 	C31H36N4O8	592.2533	NA	PeJP	NA	NA
+MJ083915	Cepharanthine; N2'-De-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083916	Cepharanthine; N2-De-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083917	Cepharanthine; O12-De-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083918	Coclobine; O12-De-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083919	Cocsulinine; 6'-Me ether 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083920	Epistephanine, O12-De-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083921	Isotrilobine, 2-N-Oxide 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083922	Limacusine, N2-De-Me, 1,2-didehydro 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083923	O-Methyldeoxopunjabine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083924	Ocotosine, O6-De-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083925	Pachygonamine; N2,O6-Di-Me 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083926	Pendine; Me ether 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083927	Sciadoline; 3,4-Dihydro 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083928	Stephasubine; 3',4'-Dihydro 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083929	Thalmethine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083930	Thalmiculatimine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083931	Thalsivasine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083932	Tiliacorinine; 2'-N-Oxide 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083933	Tiliafunimine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083934	Warifteine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+MJ083935	Yanangine 	C36H36N2O6	592.257336	NA	MeJP	NA	NA
+PJ007389	GNQQF 	C25H36N8O9	592.2605	NA	PeJP	NA	NA
+PJ007390	GGGQQF 	C25H36N8O9	592.2606	NA	PeJP	NA	NA
+PJ007391	GTEMR 	C22H40N8O9S	592.2639	NA	PeJP	NA	NA
+PJ007392	TTWW 	C30H36N6O7	592.2646	NA	PeJP	NA	NA
+MJ083936	Moreollin; Carboxylic acid, O10-de-Et, O10-Me 	C34H40O9	592.267232	NA	MeJP	NA	NA
+MJ083937	Scortechinone B 	C34H40O9	592.267232	NA	MeJP	NA	NA
+PJ007393	KEMW 	C27H40N6O7S	592.2679	NA	PeJP	NA	NA
+PJ007394	GAAPMF 	C27H40N6O7S	592.268	NA	PeJP	NA	NA
+MetaCyc03934	pheophorbide a [pheide a;]	C35H36N4O5	592.26857	NA	metacyc	NA	NA
+C18021	Pheophorbide a	C35H36N4O5	592.2686	NA	KEGG	NA	NA
+PJ007395	STKEE 	C23H40N6O12	592.2704	NA	PeJP	NA	NA
+PJ007396	SPKMM 	C24H44N6O7S2	592.2713	NA	PeJP	NA	NA
+PJ007397	GDKHH 	C24H36N10O8	592.2718	NA	PeJP	NA	NA
+PJ007398	GPPHW 	C29H36N8O6	592.2758	NA	PeJP	NA	NA
+PJ007399	TMRW 	C26H40N8O6S	592.2792	NA	PeJP	NA	NA
+PJ007400	STTER 	C22H40N8O11	592.2817	NA	PeJP	NA	NA
+MJ083938	Blepharocalyxin D 	C38H40O6	592.282489	NA	MeJP	NA	NA
+PJ007401	ACLMR 	C23H44N8O6S2	592.2825	NA	PeJP	NA	NA
+PJ007402	GVMMR 	C23H44N8O6S2	592.2826	NA	PeJP	NA	NA
+PJ007403	GSHHR 	C23H36N12O7	592.283	NA	PeJP	NA	NA
+PJ007404	SSTLW 	C27H40N6O9	592.2857	NA	PeJP	NA	NA
+MJ083939	3,14,16-Trihydroxy-19-oxo-5?H-card-20(22)-enolide, 3-O-(3-O-Acetyl-?-L-rhamnopyranoside) 	C31H44O11	592.288362	NA	MeJP	NA	NA
+MJ083940	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 16-Ac, 3-O-(2,6-Deoxy-?-L-xylohexopyranoside) 	C31H44O11	592.288362	NA	MeJP	NA	NA
+MJ083941	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 16-Ac, 3-O-(2,6-Dideoxy-?-D-ribohexopyranoside) 	C31H44O11	592.288362	NA	MeJP	NA	NA
+MJ083942	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2S-Methylbutanoyl), tri-Ac 	C31H44O11	592.288362	NA	MeJP	NA	NA
+MJ083943	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylbutanoyl), 1,6,19-tri-Ac 	C31H44O11	592.288362	NA	MeJP	NA	NA
+MJ083944	Bovoneoside 	C31H44O11	592.288362	NA	MeJP	NA	NA
+MJ083945	Euphorrepinol; 7-Tigloyl, 3,5,15-tri-Ac 	C31H44O11	592.288362	NA	MeJP	NA	NA
+PJ007405	SVKEM 	C24H44N6O9S	592.2891	NA	PeJP	NA	NA
+MJ083946	2,3,4,6,7,22,23-Heptahydroxyergostan-15-one, 2-Sulfate 	C28H48O11S	592.291733	NA	MeJP	NA	NA
+PJ007406	MMRR 	C22H44N10O5S2	592.2938	NA	PeJP	NA	NA
+PJ007407	GPTRY 	C26H40N8O8	592.2969	NA	PeJP	NA	NA
+MJ083947	Hexobendine 	C30H44N2O10	592.299595	NA	MeJP	NA	NA
+PJ007408	SSLMR 	C23H44N8O8S	592.3003	NA	PeJP	NA	NA
+PJ007409	PKYW 	C31H40N6O6	592.3009	NA	PeJP	NA	NA
+PJ007410	LQFW 	C31H40N6O6	592.301	NA	PeJP	NA	NA
+MJ083948	4(20),11-Taxadiene-5,9,10,13-tetrol, 5-Cinnamoyl, 9,10,13-tri-Ac 	C35H44O8	592.303618	NA	MeJP	NA	NA
+MJ083949	Depsidellin B 	C35H44O8	592.303618	NA	MeJP	NA	NA
+MJ083950	Pregnane-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl 	C35H44O8	592.303618	NA	MeJP	NA	NA
+PJ007411	APKMF 	C28H44N6O6S	592.3043	NA	PeJP	NA	NA
+PJ007412	SSSSLL 	C24H44N6O11	592.3068	NA	PeJP	NA	NA
+PJ007413	ALKMM 	C25H48N6O6S2	592.3077	NA	PeJP	NA	NA
+PJ007414	DFRR 	C25H40N10O7	592.3082	NA	PeJP	NA	NA
+7504	ACE inhibitor	SKVYP	592.309	antioxidative	Inhouse_peptide	NA	peptide
+PJ007415	GSSSKK 	C23H44N8O10	592.3181	NA	PeJP	NA	NA
+2671	synthetic fr, of human beta-CN (123-127) ACE inhibitor	NLHLP	592.3209	NA	Inhouse_peptide	NA	peptide
+PJ007416	SPVKY 	C28H44N6O8	592.3221	NA	PeJP	NA	NA
+C05148	Debromoaplysiatoxin	C32H48O10	592.3247	NA	KEGG	NA	NA
+MJ083951	1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 2-Deoxy, 3,9-diangeloyl, 8-(2-methylbutanoyl), 5-Ac 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083952	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside), 1-Ac 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083953	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-(6-Deoxy-3-O-methyl-?-L-talopyranoside), 1-Ac 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083954	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-D-galactopyranoside) 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083955	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-D-glucopyranoside) 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083956	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-L-mannopyranoside) 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083957	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-D-galactopyranoside) 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083958	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(6-deoxy-3-O-methyl-?-L-altropyranoside) 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083959	Aplysiatoxin; Debromo 	C32H48O10	592.324747	NA	MeJP	NA	NA
+MJ083960	Foetidinol; 15?-Hydroxy, 3-O-?-D-xylopyranoside 	C32H48O10	592.324747	NA	MeJP	NA	NA
+PJ007417	TTLKM 	C25H48N6O8S	592.3254	NA	PeJP	NA	NA
+C05790	I-Urobilinogen	C33H44N4O6	592.3261	NA	KEGG	NA	NA
+HMDB01898	Mesobilirubinogen	C33H44N4O6	592.32611	http://www.hmdb.ca/metabolites/HMDB01898	HMDB	NA	NA
+HMDB01898	Mesobilirubinogen	C33H44N4O6	592.32611	HMDB01898	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01898	Mesobilirubinogen	C33H44N4O6	592.326111	NA	HMDB2010	NA	NA
+MJ083961	Stigmastane-3,5,6,15,16,25,26-heptol, 26-Sulfate 	C29H52O10S	592.328118	NA	MeJP	NA	NA
+MJ083962	Stigmastane-3,5,6,8,15,16,29-heptol, 29-Sulfate 	C29H52O10S	592.328118	NA	MeJP	NA	NA
+MJ083963	Stigmastane-3,5,6,8,15,28,29-heptol, 29-Sulfate 	C29H52O10S	592.328118	NA	MeJP	NA	NA
+MJ083964	3-4-(Hydroxy-7-methoxy-10-oxo-3,5,9-trioxa-11-aza-4-phosphanonacos-1-yl)thiazolium hydroxide inner salt P-oxide 	C28H53N2O7PS	592.331109	NA	MeJP	NA	NA
+PJ007418	AALRY 	C27H44N8O7	592.3333	NA	PeJP	NA	NA
+PJ007419	SCKKK 	C24H48N8O7S	592.3367	NA	PeJP	NA	NA
+PJ007420	LKFW 	C32H44N6O5	592.3373	NA	PeJP	NA	NA
+MJ083965	Antibiotic S 541; Antibiotic S 541A, 7-Deoxy, 2,5,6,7-tetradehydro 	C36H48O7	592.340003	NA	MeJP	NA	NA
+MJ083966	Vilasinin; 1,7-Ditigloyl 	C36H48O7	592.340003	NA	MeJP	NA	NA
+PJ007421	VRRY 	C26H44N10O6	592.3446	NA	PeJP	NA	NA
+MJ083967	7,7',8,8'-Tetradehydroastaxanthin 	C40H48O4	592.35526	NA	MeJP	NA	NA
+MJ083968	Crustaxanthin; Tetraketone 	C40H48O4	592.35526	NA	MeJP	NA	NA
+PJ007422	GLLKY 	C29H48N6O7	592.3585	NA	PeJP	NA	NA
+C04859	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol	C33H52O9	592.3611	NA	KEGG	NA	NA
+C08885	Agavoside A	C33H52O9	592.3611	NA	KEGG	NA	NA
+MJ083969	16,26-Dihydroxycholest-4-ene-3,22-dione, 26-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083970	22,26-Dihydroxyfurost-4-en-3-one, 26-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083971	3,26-Dihydroxycholest-5-ene-16,22-dione, 3-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083972	3-Hydroxyspirostan-12-one, 3-O-?-D-Galactopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083973	3-Hydroxyspirostan-12-one, 3-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083974	7,13-Labdadiene-2,3,15-triol, 3-Angeloyl, 15-Ac, 2-O-?-L-rhamnopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083975	Spirost-20-ene-1,3-diol, 3-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083976	Spirost-25(27)-ene-1,3-diol, 3-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083977	Spirost-5-ene-3,14-diol, 3-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083978	Spirost-5-ene-3,17-diol, 3-O-?-D-Glucopyranoside 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083979	Stigmasta-7,22-diene-2,3,5,6,9,11,19-heptol, 11,19-Di-Ac 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MJ083980	Tomentoside I; O-De-Et 	C33H52O9	592.361133	NA	MeJP	NA	NA
+MetaCyc03935	(20S,22S,25S)-22,25-epoxyfurost-5-ene-3-&beta;,26-diol 3-o-&beta;-D-glucoside []	C33H52O9	592.361133	NA	metacyc	NA	NA
+PJ007423	PVLKH 	C28H48N8O6	592.3697	NA	PeJP	NA	NA
+MJ083981	1,3-Dihydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxybenzoyl) 	C37H52O6	592.376389	NA	MeJP	NA	NA
+MJ083982	2,3-Dihydroxy-14-taraxeren-28-oic acid, 2-(4-Hydroxybenzoyl) 	C37H52O6	592.376389	NA	MeJP	NA	NA
+MJ083983	2,3-Dihydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxybenzoyl) 	C37H52O6	592.376389	NA	MeJP	NA	NA
+MJ083984	2,3-Dihydroxy-14-taraxeren-28-oic acid, 2-(4-Hydroxybenzoyl) 	C37H52O6	592.376389	NA	MeJP	NA	NA
+MJ083985	3,16,21-Trihydroxy-12-oxo-30-oleananal, 21-Benzoyl 	C37H52O6	592.376389	NA	MeJP	NA	NA
+C10170	(-)-Santiaguine	C38H48N4O2	592.3777	NA	KEGG	NA	NA
+MJ083986	Melaxillarinine 	C38H48N4O2	592.377726	NA	MeJP	NA	NA
+MJ083987	Santiaguine 	C38H48N4O2	592.377726	NA	MeJP	NA	NA
+MJ083988	Exophilin A; 9-Hydroxy 	C30H56O11	592.382262	NA	MeJP	NA	NA
+MJ083989	Ergosta-5,24(28)-diene-3,9,11,16-tetrol, 3-O-?-L-Fucopyranoside 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083990	Glycerol 1-alkanoates; Glycerol 1-(22-hydroxydocosanoate), 22'-O-(3,4-Dihydroxycinnamoyl) 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083991	Hygrolidin; Defumaryl 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083992	Irumanolide II 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083993	Lanost-8-ene-3,17,24,25,26-pentol, 3-O-Succinoyl 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083994	Raspacionin A 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083995	Raspacionin; 15-Deacetyl, 10,28-dihydro, 10?-acetoxy, 4-ketone 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083996	Raspacionin; 21-Deacetyl, 10,28-dihydro, 10?-acetoxy, 4-ketone 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083997	Stigmasta-8(14),24(28)-diene-3,6,15,29-tetrol, 29-O-?-D-Xylopyranoside 	C34H56O8	592.397518	NA	MeJP	NA	NA
+MJ083998	3,14,21-Serratanetriol, 3-O-?-L-Arabinopyranoside 	C35H60O7	592.433904	NA	MeJP	NA	NA
+MJ083999	Aromin 	C35H60O7	592.433904	NA	MeJP	NA	NA
+MJ084000	Montanacin D 	C35H60O7	592.433904	NA	MeJP	NA	NA
+MJ084001	Stigmast-5-ene-3,29-diol, 3-O-?-D-Glucopyranoside 	C35H60O7	592.433904	NA	MeJP	NA	NA
+MJ084002	Stigmast-5-ene-3,7-diol, 3-O-?-D-Glucopyranoside 	C35H60O7	592.433904	NA	MeJP	NA	NA
+HMDB12299	Ubiquinol-6	C39H60O4	592.449158	NA	HMDB2010	NA	NA
+MJ084003	Stigmastan-3-ol, O-(4-Hydroxy-3-methoxycinnamoyl) 	C39H60O4	592.44916	NA	MeJP	NA	NA
+MJ084004	Fritillebin C 	C40H64O3	592.485545	NA	MeJP	NA	NA
+HMDB05207	DG(16:0/18:2(9Z,12Z)/0:0)[iso2]	C37H68O5	592.50665	http://www.hmdb.ca/metabolites/HMDB05207	HMDB	NA	NA
+HMDB05222	DG(16:1(9Z)/18:1(9Z)/0:0)[iso2]	C37H68O5	592.50665	http://www.hmdb.ca/metabolites/HMDB05222	HMDB	NA	NA
+HMDB05207	DG(16:0/18:2(9Z,12Z)/0:0)[iso2]	C37H68O5	592.50665	HMDB05207	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05222	DG(16:1(9Z)/18:1(9Z)/0:0)[iso2]	C37H68O5	592.50665	HMDB05222	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07022	DG(14:0/20:2(11Z,14Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07050	DG(14:1(9Z)/20:1(11Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07103	DG(16:0/18:2(9Z,12Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07130	DG(16:1(9Z)/18:1(11Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07131	DG(16:1(9Z)/18:1(9Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07186	DG(18:1(11Z)/16:1(9Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07215	DG(18:1(9Z)/16:1(9Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07243	DG(18:2(9Z,12Z)/16:0/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07386	DG(20:1(11Z)/14:1(9Z)/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+HMDB07414	DG(20:2(11Z,14Z)/14:0/0:0)	C37H68O5	592.506653	NA	HMDB2010	NA	NA
+MJ084005	Reticulatain 1 	C37H68O5	592.506675	NA	MeJP	NA	NA
+MJ084006	Uvariamicin I 	C37H68O5	592.506675	NA	MeJP	NA	NA
+MJ084007	1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 7',8',11',12'-Tetrahydro, 1''-Me ether 	C41H68O2	592.521931	NA	MeJP	NA	NA
+MJ084008	Tryptamine; Nb-(25-Triacontenoyl)(Z-) 	C40H68N2O	592.533164	NA	MeJP	NA	NA
+MJ084009	Dihydroxyglycopaene 	C40H80O2	592.615831	NA	MeJP	NA	NA
+MJ084010	Tricosanoic acid; Heptadecyl ester 	C40H80O2	592.615831	NA	MeJP	NA	NA
+7343	celiac sprue gluten epitope from gamma-gliadin	QWPQQQQPF	592.7705	MH2+	Inhouse_peptide	NA	peptide
+3484	ACE inhibitors derived from yeast GADPH	GHKIATFQER	592.805	MH2+	Inhouse_peptide	NA	peptide
+MJ084011	Oganomycin F 	C19H23N5O9S4	593.03786	NA	MeJP	NA	NA
+FL7AACGL0116	Cyanidin 3-(6''-dioxalylglucoside)	C25H21O17	593.07787	398454-26-7	knapsack	NA	NA
+PJ007424	CCCCY 	C21H31N5O7S4	593.1107	NA	PeJP	NA	NA
+PJ007425	CCCEH 	C20H31N7O8S3	593.1397	NA	PeJP	NA	NA
+PJ007426	DDDDD 	C20H27N5O16	593.1453	NA	PeJP	NA	NA
+MJ084012	Cefteram; (2,2-Dimethyl-1-oxopropoxy)methyl ester 	C22H27N9O7S2	593.147485	NA	MeJP	NA	NA
+FL1CQUCCN001	Tinctormine	C27H31NO14	593.17445	149475-43-4	knapsack	NA	NA
+PJ007427	CNNDE 	C20H31N7O12S	593.1752	NA	PeJP	NA	NA
+PJ007428	TCCMH 	C21H35N7O7S3	593.176	NA	PeJP	NA	NA
+PJ007429	SDDEE 	C21H31N5O15	593.1817	NA	PeJP	NA	NA
+PJ007430	PCDEM 	C22H35N5O10S2	593.1826	NA	PeJP	NA	NA
+PJ007431	GCNDW 	C24H31N7O9S	593.1904	NA	PeJP	NA	NA
+PJ007432	GSSNDD 	C20H31N7O14	593.1929	NA	PeJP	NA	NA
+PJ007433	GSPCCQ 	C21H35N7O9S2	593.1938	NA	PeJP	NA	NA
+PJ007434	GEEEM 	C22H35N5O12S	593.2003	NA	PeJP	NA	NA
+PJ007435	GCMHF 	C25H35N7O6S2	593.2091	NA	PeJP	NA	NA
+MJ084013	Geodiamolide A; Bromo analogue 	C28H40BrN3O6	593.210048	NA	MeJP	NA	NA
+PJ007436	SNNEM 	C21H35N7O11S	593.2115	NA	PeJP	NA	NA
+PJ007437	GGSNEM 	C21H35N7O11S	593.2116	NA	PeJP	NA	NA
+PJ007438	EEMW 	C26H35N5O9S	593.2156	NA	PeJP	NA	NA
+PJ007439	STEEE 	C22H35N5O14	593.2181	NA	PeJP	NA	NA
+PJ007440	SPEMM 	C23H39N5O9S2	593.2189	NA	PeJP	NA	NA
+PJ007441	GDEHH 	C23H31N9O10	593.2194	NA	PeJP	NA	NA
+PJ007442	SCNDR 	C20H35N9O10S	593.2228	NA	PeJP	NA	NA
+PJ007443	GSNMW 	C25H35N7O8S	593.2268	NA	PeJP	NA	NA
+PJ007444	GSSSQE 	C21H35N7O13	593.2293	NA	PeJP	NA	NA
+PJ007445	GQQMM 	C22H39N7O8S2	593.2302	NA	PeJP	NA	NA
+PJ007446	GPEEY 	C26H35N5O11	593.2333	NA	PeJP	NA	NA
+PJ007447	PPCMF 	C27H39N5O6S2	593.2342	NA	PeJP	NA	NA
+PJ007448	DHHW 	C27H31N9O7	593.2347	NA	PeJP	NA	NA
+PJ007449	SVEEM 	C23H39N5O11S	593.2367	NA	PeJP	NA	NA
+PJ007450	PCLMM 	C24H43N5O6S3	593.2376	NA	PeJP	NA	NA
+PJ007451	PTCHH 	C24H35N9O7S	593.238	NA	PeJP	NA	NA
+PJ007452	GCQMR 	C21H39N9O7S2	593.2414	NA	PeJP	NA	NA
+PJ007453	SSSQW 	C25H35N7O10	593.2446	NA	PeJP	NA	NA
+PJ007454	SNDKM 	C22H39N7O10S	593.2479	NA	PeJP	NA	NA
+PJ007455	PEYW 	C30H35N5O8	593.2486	NA	PeJP	NA	NA
+PJ007456	SPPMY 	C27H39N5O8S	593.252	NA	PeJP	NA	NA
+PJ007457	GCCRR 	C20H39N11O6S2	593.2527	NA	PeJP	NA	NA
+PJ007458	ALEMM 	C24H43N5O8S2	593.2553	NA	PeJP	NA	NA
+PJ007459	ATEHH 	C24H35N9O9	593.2558	NA	PeJP	NA	NA
+PJ007460	SSNMR 	C21H39N9O9S	593.2592	NA	PeJP	NA	NA
+PJ007461	NQFW 	C29H35N7O7	593.2598	NA	PeJP	NA	NA
+MJ084014	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1-propanoyl, 8-Ac 	C33H39NO9	593.262481	NA	MeJP	NA	NA
+MJ084015	Himbosine; O20-Deacetyl 	C33H39NO9	593.262481	NA	MeJP	NA	NA
+PJ007462	GTCKW 	C26H39N7O7S	593.2632	NA	PeJP	NA	NA
+PJ007463	GSSSKE 	C22H39N7O12	593.2657	NA	PeJP	NA	NA
+PJ007464	GQKMM 	C23H43N7O7S2	593.2666	NA	PeJP	NA	NA
+MJ084016	Ergoladinine 	C31H39N5O5S	593.26719	NA	MeJP	NA	NA
+PJ007465	SPVEY 	C27H39N5O10	593.2697	NA	PeJP	NA	NA
+PJ007466	GPHHF 	C28H35N9O6	593.2711	NA	PeJP	NA	NA
+PJ007467	TTLEM 	C24H43N5O10S	593.2731	NA	PeJP	NA	NA
+PJ007468	GLMHH 	C25H39N9O6S	593.2744	NA	PeJP	NA	NA
+PJ007469	GSSSTR 	C21H39N9O11	593.2769	NA	PeJP	NA	NA
+PJ007470	GCKMR 	C22H43N9O6S2	593.2778	NA	PeJP	NA	NA
+PJ007471	SSSKW 	C26H39N7O9	593.2809	NA	PeJP	NA	NA
+PJ007472	GGGLQY 	C26H39N7O9	593.281	NA	PeJP	NA	NA
+PJ007473	STQKM 	C23H43N7O9S	593.2843	NA	PeJP	NA	NA
+PJ007474	LEFW 	C31H39N5O7	593.285	NA	PeJP	NA	NA
+PJ007475	APLMY 	C28H43N5O7S	593.2883	NA	PeJP	NA	NA
+PJ007476	SLLMM 	C25H47N5O7S2	593.2917	NA	PeJP	NA	NA
+PJ007477	QQRY 	C25H39N9O8	593.2922	NA	PeJP	NA	NA
+PJ007478	STCKR 	C22H43N9O8S	593.2956	NA	PeJP	NA	NA
+MJ084017	Chymostatin; Chymostatin B 	C30H39N7O6	593.296182	NA	MeJP	NA	NA
+PJ007479	NKFW 	C30H39N7O6	593.2962	NA	PeJP	NA	NA
+PJ007480	PPLMH 	C27H43N7O6S	593.2996	NA	PeJP	NA	NA
+C10007	Integerrine	C35H39N5O4	593.3002	NA	KEGG	NA	NA
+MJ084018	Ergocristam 	C35H39N5O4	593.300204	NA	MeJP	NA	NA
+MJ084019	Integerrine 	C35H39N5O4	593.300204	NA	MeJP	NA	NA
+PJ007481	GSTTTK 	C23H43N7O11	593.3021	NA	PeJP	NA	NA
+PJ007482	GKKMM 	C24H47N7O6S2	593.3029	NA	PeJP	NA	NA
+PJ007483	CCLKK 	C24H47N7O6S2	593.303	NA	PeJP	NA	NA
+PJ007484	GPQHR 	C24H39N11O7	593.3034	NA	PeJP	NA	NA
+3119	fragment of bovine beta-casein (63-68 )	PGPIPN	593.3039	celiac toxic	Inhouse_peptide	NA	peptide
+PJ007485	GLLEY 	C28H43N5O9	593.3061	NA	PeJP	NA	NA
+PJ007486	GVQKY 	C27H43N7O8	593.3173	NA	PeJP	NA	NA
+PJ007487	GGGPPPL 	C27H43N7O8	593.3174	NA	PeJP	NA	NA
+MJ084020	Piercidinol A1; 10-O-?-D-Glucopyranoside 	C31H47NO10	593.319996	NA	MeJP	NA	NA
+MJ084021	Piercidinol A1; 3-Epimer, 10-O-?-D-glucopyranoside 	C31H47NO10	593.319996	NA	MeJP	NA	NA
+MJ084022	Piericidin; Piericidin A1, 13'-Hydroxy, 10'-O-?-D-glucopyranoside 	C31H47NO10	593.319996	NA	MeJP	NA	NA
+PJ007488	STKKM 	C24H47N7O8S	593.3207	NA	PeJP	NA	NA
+PJ007489	LLYW 	C32H43N5O6	593.3213	NA	PeJP	NA	NA
+PJ007490	APLFF 	C32H43N5O6	593.3214	NA	PeJP	NA	NA
+PJ007491	ALLMF 	C29H47N5O6S	593.3247	NA	PeJP	NA	NA
+PJ007492	QKRY 	C26H43N9O7	593.3286	NA	PeJP	NA	NA
+MJ084023	Rhizoxin; 2,3:11,12-Bisdeepoxy, 2,3,11,12-tetradehydro 	C35H47NO7	593.335252	NA	MeJP	NA	NA
+MJ084024	Talatizamine; O8-(E-Cinnamoyl), O14-Ac 	C35H47NO7	593.335252	NA	MeJP	NA	NA
+PJ007493	GPKHR 	C25H43N11O6	593.3398	NA	PeJP	NA	NA
+MJ084025	Destruxin E; Destruxin E 	C29H47N5O8	593.342463	NA	MeJP	NA	NA
+PJ007494	SVLLY 	C29H47N5O8	593.3425	NA	PeJP	NA	NA
+EUR785	Lyso PC 22:4 [M+Na]+	C30H54NO7P	593.345738	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR785	Lyso PC 22:4 [M+Na]+	C30H54NO7P	593.345738	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR785	Lyso PC 22:4 [M+Na]+	C30H54NO7P	593.345738	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR785	Lyso PC 22:4 [M+Na]+	C30H54NO7P	593.345738	masses lipides attendues	Inhousejuil11	NA	NA
+PJ007495	GVKKY 	C28H47N7O7	593.3537	NA	PeJP	NA	NA
+MJ084026	Germine; O15-(R)-2-Methylbutanoyl 	C32H51NO9	593.356382	NA	MeJP	NA	NA
+MJ084027	Germine; O16-(2-Methylbutanoyl) 	C32H51NO9	593.356382	NA	MeJP	NA	NA
+MJ084028	Germine; O3-(R)-2-Methylbutanoyl 	C32H51NO9	593.356382	NA	MeJP	NA	NA
+MJ084029	Apicidin; N-Demethoxy 	C33H47N5O5	593.357719	NA	MeJP	NA	NA
+PJ007496	KKRY 	C27H47N9O6	593.365	NA	PeJP	NA	NA
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR594	LysoPC(20:2)	[M+FA-H]-	593.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR757	Lyso PC 20:2 [M+FA-H]-	C28H54NO7P	593.368672	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR757	Lyso PC 20:2 [M+FA-H]-	C28H54NO7P	593.368672	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR757	Lyso PC 20:2 [M+FA-H]-	C28H54NO7P	593.368672	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR757	Lyso PC 20:2 [M+FA-H]-	C28H54NO7P	593.368672	masses lipides attendues	Inhousejuil11	NA	NA
+EUR903	Lyso PE 22:2 [M-H+acetate]-	C27H52NO7P	593.369242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR903	Lyso PE 22:2 [M-H+acetate]-	C27H52NO7P	593.369242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR903	Lyso PE 22:2 [M-H+acetate]-	C27H52NO7P	593.369242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR903	Lyso PE 22:2 [M-H+acetate]-	C27H52NO7P	593.369242	masses lipides attendues	Inhousejuil11	NA	NA
+MJ084030	?-[[[[2,6-Bis(1-methylethyl)phenyl]amino]carbonyl]amino]-?-methyl-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-1H-indole-3-propanamide 	C37H47N5O2	593.372975	NA	MeJP	NA	NA
+MJ084031	Bursaphelocide A 	C30H51N5O7	593.378849	NA	MeJP	NA	NA
+MJ084032	Destruxin B; Destruxin B 	C30H51N5O7	593.378849	NA	MeJP	NA	NA
+PJ007497	VLLLH 	C29H51N7O6	593.3901	NA	PeJP	NA	NA
+MJ084033	3-Aminospirostan-6-ol, Glycoside 	C33H55NO8	593.392767	NA	MeJP	NA	NA
+MJ084034	Cevane-3,6,20-triol, 3-O-?-D-Glucopyranoside 	C33H55NO8	593.392767	NA	MeJP	NA	NA
+MJ084035	Discodermolide 	C33H55NO8	593.392767	NA	MeJP	NA	NA
+C16746	Discodermolide	C33H55NO8	593.3928	NA	KEGG	NA	NA
+MJ084036	Myxovirescin A; Myxovirescin A1, 33-Demethoxy 	C34H59NO7	593.429153	NA	MeJP	NA	NA
+MJ084037	Myxovirescin A; Myxovirescin A1, 4-Epimer, 33-demethoxy 	C34H59NO7	593.429153	NA	MeJP	NA	NA
+MJ084038	Pamamycin; Pamamycin 593 	C34H59NO7	593.429153	NA	MeJP	NA	NA
+EUR801	Lyso PC 24:0 [M-H-CH3]-	C32H66NO7P	593.442042	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR801	Lyso PC 24:0 [M-H-CH3]-	C32H66NO7P	593.442042	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR801	Lyso PC 24:0 [M-H-CH3]-	C32H66NO7P	593.442042	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR801	Lyso PC 24:0 [M-H-CH3]-	C32H66NO7P	593.442042	masses lipides attendues	Inhousejuil11	NA	NA
+MJ084039	Human ocular retinal pigment 	C42H59NO	593.459665	NA	MeJP	NA	NA
+MJ084040	2-Amino-4-octadecene-1,3-diol, N-Eicosanoyl 	C38H75NO3	593.574695	NA	MeJP	NA	NA
+HMDB04951	Ceramide (d18:1/20:0)	C38H75NO3	593.574707	NA	HMDB2010	NA	NA
+HMDB04951	Ceramide (d18:1/20:0)	C38H75NO3	593.57471	http://www.hmdb.ca/metabolites/HMDB04951	HMDB	NA	NA
+HMDB04951	Ceramide (d18:1/20:0)	C38H75NO3	593.57471	HMDB04951	PFEM_hmdb_metabocards_official	NA	NA
+MJ084041	Prepolycitrin A 	C16H6Br4O5	593.694873	NA	MeJP	NA	NA
+7039	synthetic peptide from alpha-gliadin	IPPYCTIAPFGI	593.822	MH2+	Inhouse_peptide	NA	peptide
+MJ084042	Ceftiolene 	C20H18N8O8S3	594.040971	NA	MeJP	NA	NA
+MJ084043	dTDP-D-glucuronate 	C16H24N2O18P2	594.049935	NA	MeJP	NA	NA
+FL63ACNS0015	Epicatechin 3,5-di-O-gallate	C29H22O14	594.10095	37484-74-5	knapsack	NA	NA
+FL63ACNS0016	Catechin 3,7,-di-O-galate	C29H22O14	594.10095	128397-04-6	knapsack	NA	NA
+FL63ACNS0017	Catechin 5,7,-di-O-gallate	C29H22O14	594.10095	-	knapsack	NA	NA
+FL63ACNS0018	Catechin 5,3'-di-O-gallate	C29H22O14	594.10095	-	knapsack	NA	NA
+FL63ACNS0019	Catechin 5,4'-di-O-gallate	C29H22O14	594.10095	-	knapsack	NA	NA
+FL63ACNS0020	Catechin 7,3'-di-O-gallate	C29H22O14	594.10095	110784-26-4	knapsack	NA	NA
+FL63ACNS0021	Catechin 7,4'-di-O-gallate	C29H22O14	594.10095	110784-25-3	knapsack	NA	NA
+MJ084044	3,3',4',5,7-Pentahydroxyflavan, 3,5-Bis(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084045	3,3',4',5,7-Pentahydroxyflavan, 3',5-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084046	3,3',4',5,7-Pentahydroxyflavan, 3',7-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084047	3,3',4',5,7-Pentahydroxyflavan, 3,7-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084048	3,3',4',5,7-Pentahydroxyflavan, 4',5-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084049	3,3',4',5,7-Pentahydroxyflavan, 4',7-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084050	3,3',4',5,7-Pentahydroxyflavan, 5,7-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O14	594.100955	NA	MeJP	NA	NA
+MJ084051	1,3,4-Trihydroxyanthraquinone-2-carboxylic acid; O4-Primeveroside 	C26H26O16	594.122084	NA	MeJP	NA	NA
+C17140	Tribuloside	C30H26O13	594.1373	NA	KEGG	NA	NA
+C17141	[Heparan sulfate]-glucosamine	C30H26O13	594.1373	NA	KEGG	NA	NA
+C17142	[Heparan sulfate]-N-sulfoglucosamine	C30H26O13	594.1373	NA	KEGG	NA	NA
+MJ084052	3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranoside] 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084053	3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084054	3',4',6,7-Tetrahydroxyaurone; 6-O-[4-Hydroxycinnamoyl-(?4)-?-D-glucopyranoside] 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084055	3,3',4',5',7-Pentahydroxyflavan(4?2')-3,3',4,4',5',7-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084056	3,3',4',5',7-Pentahydroxyflavan(4?6)-3,3',4',5,5',7-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084057	3,3',4',5',7-Pentahydroxyflavan(4?6)-3,3',4,4',5',7-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084058	3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084059	3,3',4',5,5',7-Hexahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084060	3,3',4',5,5',7-Hexahydroxyflavan(7?4')-3,3',4',5,5',7-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084061	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084062	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084063	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084064	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084065	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084066	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084067	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4,4',5,7-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084068	3,3',4',7,8-Pentahydroxyflavan(4?6)-3,3',4,4',7,8-hexahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084069	3,3',4',7,8-Pentahydroxyflavan(4?O?4)-3,3',4',7,8-pentahydroxyflavan 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084070	3,3',4',7-Tetrahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'',5'''-Dihydroxy 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084071	4',5,7,8-Tetrahydroxyflavone; 8-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084072	Astragalin; 2''-O-(E-4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084073	Astragalin; 3''-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084074	Astragalin; 4'-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084075	Astragalin; 6''-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084076	Astragalin; 7-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084077	Cosmosiin; 3''-O-(3,4-Dihydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084078	Cosmosiin; 4'-O-(3,4-Dihydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084079	Cosmosiin; 6''-O-(3,4-Dihydroxy-E-cinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084080	Isoorientin; 2''-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084081	Populnin; 6''-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084082	Trifolin; 6''-O-(4-Hydroxycinnamoyl) 	C30H26O13	594.13734	NA	MeJP	NA	NA
+MJ084083	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C30H27O13(+)	594.13734	NA	MeJP	NA	NA
+MJ084084	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(3,4-Dihydroxycinnamoyl), 5-O-?-D-glucopyranoside 	C30H27O13(+)	594.13734	NA	MeJP	NA	NA
+MJ084085	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C30H27O13(+)	594.13734	NA	MeJP	NA	NA
+FL1A3CGS0003	Maritimetin 6-(6''-p-coumarylglucoside)	C30H26O13	594.13734	134955-55-8	knapsack	NA	NA
+FL3FAAGN0002	Apigenin 7-glucoside-4'-trans-caffeate	C30H26O13	594.13734	20196-92-3	knapsack	NA	NA
+FL3FAAGS0037	Apigenin 7-(6''-E-Caffeoylglucoside);7-[[6-O-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C30H26O13	594.13734	52073-84-4	knapsack	NA	NA
+FL3FACCS0035	Isoorientin 2''-O-(E)-p-coumarate	C30H26O13	594.13734	73328-49-1	knapsack	NA	NA
+FL3FACGS0052	Luteolin 7-(2''-p-coumaroylglucoside)	C30H26O13	594.13734	95596-61-5	knapsack	NA	NA
+FL3FACGS0062	Luteolin 7-(6''-p-coumarylglucoside)	C30H26O13	594.13734	111188-76-2	knapsack	NA	NA
+FL3FFAGS0015	8-Hydroxyapigenin 8-(6''-E-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C30H26O13	594.13734	219316-01-5	knapsack	NA	NA
+FL5FAAGA0030	Kaempferol 3-(6''-p-coumarylgalactoside)	C30H26O13	594.13734	72691-81-7<BR>68170-52-5	knapsack	NA	NA
+FL5FAAGL0067	Kaempferol 3-(2''-p-coumarylglucoside)	C30H26O13	594.13734	137018-32-7	knapsack	NA	NA
+FL5FAAGL0068	Kaempferol 3-(3''-p-coumarylglucoside)	C30H26O13	594.13734	74712-68-8	knapsack	NA	NA
+FL5FAAGL0069	Tiliroside	C30H26O13	594.13734	20316-62-5	knapsack	NA	NA
+FL5FAAGS0060	Kaempferol 7-(6''-p-coumarylglucoside);Biondnoid A;Buddlenoid A	C30H26O13	594.13734	142750-32-1	knapsack	NA	NA
+FL5FAAGS0104	Kaempferol 3-(2''-(Z)-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C30H26O13	594.13734	189098-16-6	knapsack	NA	NA
+FL5FAAGS0105	Kaempferol 3-(4''-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[4-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C30H26O13	594.13734	331448-63-6	knapsack	NA	NA
+FL5FAAGS0107	Kaempferol 3-(5''-feruloylapioside);[3S-[3alpha,3(E),4alpha,5beta]]-3-(4-Hydroxy-3-methoxyphenyl)-, [5-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl]oxy]tetrahydro-3,4-dihydroxy-3-furanyl]methyl ester 2-propenoic acid	C30H26O13	594.13734	185066-55-1	knapsack	NA	NA
+MJ084086	Sultamicillin 	C25H30N4O9S2	594.145419	NA	MeJP	NA	NA
+MJ084087	8,8-Bi(4',5,7-trihydroxyflavone); 4',4''',7,7''-Tetra-Me ether 	C34H26O10	594.152597	NA	MeJP	NA	NA
+MJ084088	Amentoflavone; 4',4''',7,7''-Tetra-Me ether 	C34H26O10	594.152597	NA	MeJP	NA	NA
+MJ084089	Endococcin 	C34H26O10	594.152597	NA	MeJP	NA	NA
+MJ084090	Kuwanon Z 	C34H26O10	594.152597	NA	MeJP	NA	NA
+MJ084091	Trachypone 	C34H26O10	594.152597	NA	MeJP	NA	NA
+MJ084092	1,2,5-Trihydroxy-6-methylanthraquinone; 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084093	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084094	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084095	1,8-Dihydroxy-3-hydroxymethylanthraquinone; 1,8-Di-?-D-glucoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084096	2',3,5,7-Tetrahydroxyflavone; 3-O-Rutinoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084097	2',4',7-Trihydroxyisoflavone; 4',7-Di-O-?-D-glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084098	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-?-L-Rhamnopyranoside, 3'-O-?-D-xylopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084099	3',4',5,7-Tetrahydroxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084100	3',4',5,7-Tetrahydroxyflavone; 4-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084101	3',4',5,7-Tetrahydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084102	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084103	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084104	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084105	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084106	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084107	3',4',5,7-Tetrahydroxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084108	3',4',5-Trihydroxy-7-methoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084109	3',4',6-Trihydroxyaurone; 3',6-Di-O-?-D-glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084110	3',4',6-Trihydroxyaurone; 6-O-(Glucosylglucoside) 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084111	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084112	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084113	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[Xylosyl-(1??)-glucoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084114	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084115	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084116	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-Arabinoside, 3'-O-?-L-rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084117	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[Rhamnosyl-(1??)-arabinoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084118	3,3',4',7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084119	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-?-L-rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084120	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084121	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Arabinopyranoside, 7-O-?-L-rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084122	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084123	3,4',5,7-Tetrahydroxyflavone; 3-O-[Rhamnosyl-(1??)-galactoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084124	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084125	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084126	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084127	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084128	3,4',5,7-Tetrahydroxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084129	3,4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084130	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084131	3,4',6,7-Tetrahydroxy-5-methoxyflavone; 3-O-(Arabinosylrhamnoside) 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084132	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-L-Arabinopyranoside, 7-O-?-D-glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084133	3,6-Diglucopyranosyl-4',5,7-trihydroxyflavone 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084134	3,8-Diglucopyranosyl-4',5,7-trihydroxyflavone 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084135	4',5,6,7-Tetrahydroxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084136	4',5,6,7-Tetrahydroxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084137	4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084138	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084139	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084140	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084141	4',5,6,7-Tetrahydroxyisoflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084142	4',5,7,8-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084143	4',5,7,8-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084144	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Glucosylarabinoside) 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084145	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084146	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084147	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?2)-?-D-galactopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084148	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084149	4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084150	4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084151	4',5,7-Trihydroxyflavone; 4',7-Di-O-?-D-allopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084152	4',5,7-Trihydroxyflavone; 4',7-Di-O-?-D-glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084153	4',5,7-Trihydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?4)-?-D-mannopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084154	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084155	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084156	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084157	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084158	4',5,7-Trihydroxyisoflavone; 4',7-Di-O-?-D-glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084159	4',5,7-Trihydroxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084160	4-(3,4-Dihydroxyphenyl)-5,7-dihydroxycoumarin; 7-Me ether, 5-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084161	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-[Xylosyl-(1??)-glucoside] 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084162	6,8-Diarabinopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',4'-Di-Me ether 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084163	6,8-Diarabinopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084164	6,8-Digalactopyranosyl-4',5,7-trihydroxyflavone 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084165	6,8-Diglucosyl-3',4',7-trihydroxyflavone 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084166	8-Galactopyranosyl-6-glucopyranosyl-4',5,7-trihydroxyflavone 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084167	8-Glucopyranosyl-3',4',7-trihydroxyisoflavone; 4'-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084168	8-Glucopyranosyl-4',5,7-trihydroxyisoflavone; 4'-O-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084169	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 2''-O-?-D-Xylopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084170	9,10-Dihydro-4,5-dihydroxy-10-oxo-2-anthracenecarboxylic acid; O-Diglucoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084171	Afzelin; 2''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084172	Afzelin; 4''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084173	Aloin, 1''-Carboxylic acid, 8-O-?-D-glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084174	Astragalin; 3''-O-?-L-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084175	Astragalin; 4'-O-?-L-Rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084176	Astragalin; 7-O-?-L-Rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084177	Carlinoside; 3'-Me ether 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084178	Cosmosiin; 2''-O-?-D-Allopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084179	Cosmosiin; 4''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084180	Cosmosiin; 4'-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084181	Cosmosiin; O''-?-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084182	Isocarlinoside; 3'-Me ether 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084183	Isoorientin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084184	Isoorientin; 6''-O-?-L-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084185	Isovitexin; 2''-O-?-D-Galactopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084186	Isovitexin; 2''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084187	Isovitexin; 4'-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084188	Isovitexin; 6''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084189	Isovitexin; 7-O-?-D-Galactopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084190	Isovitexin; 7-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084191	Lucenin 1; 3'-Me ether 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084192	Lucenin 3; 3'-Me ether 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084193	Nodosin 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084194	Orientin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084195	Orientin; 7-Me ether, 2''-O-?-arabinopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084196	Orientin; 7-O-?-L-Rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084197	Paniculatin 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084198	Populnin; 2''-O-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084199	Populnin; 3-O-?-L-Rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084200	Quercitrin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084201	Quercitrin; 4'-O-?-L-Rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084202	Quercitrin; 7-O-?-L-Rhamnopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084203	Safflor Yellow A 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084204	Trifolin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084205	Vicenin 2 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084206	Vitexin; 2''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084207	Vitexin; 4''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084208	Vitexin; 4'-O-?-D-Galactopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084209	Vitexin; 4'-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084210	Vitexin; 7-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084211	?-Rhamnoisorobin; 2''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084212	?-Rhamnoisorobin; 3''-O-?-D-Glucopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084213	?-Rhamnoisorobin; 3-O-?-D-Galactofuranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084214	?-Rhamnoisorobin; 3-O-?-D-Galactopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084215	?-Rhamnoisorobin; 4''-O-?-D-Galactopyranosyl 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084216	?-Rhamnoisorobin; 4'-O-?-D-Glucopyranoside 	C27H30O15	594.15847	NA	MeJP	NA	NA
+MJ084217	3',4',5,7-Tetrahydroxyflavylium(1+); 5,7-Di-O-?-D-glucopyranoside 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084218	3',4',5,7-Tetrahydroxyflavylium(1+); 5-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084219	3',4',5,7-Tetrahydroxyflavylium(1+); 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084220	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-D-galactopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084221	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084222	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-L-Rhamnoside, 5-O-?-D-glucopyranoside 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084223	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-Arabinoside, 5-O-?-D-glucopyranoside 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084224	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084225	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084226	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084227	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[Xylosyl-(1??)-galactoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084228	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[Xylosyl-(1??)-glucoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084229	3,4',5,7-Tetrahydroxyflavylium(1+); 3,5-Di-O-?-D-Glucopyranoside 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084230	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084231	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MJ084232	Keracyanin 	C27H31O15(+)	594.15847	NA	MeJP	NA	NA
+MetaCyc03936	vitexin 2-O-&beta;-D-glucoside''$$$''$$$'' []	C27H30O15	594.15847	NA	metacyc	NA	NA
+MetaCyc03937	isovitexin 2-O-&beta;-D-glucoside''$$$''$$$'' []	C27H30O15	594.15847	NA	metacyc	NA	NA
+MetaCyc03938	kaempferol-3-glucoside-7-rhamnoside [kaempferol-3-O-glucopyranoside-7-O-rhamnopyranoside;]	C27H30O15	594.15847	NA	metacyc	NA	NA
+MetaCyc03939	luteolin 7-O-neohesperidoside []	C27H30O15	594.15847	NA	metacyc	NA	NA
+FL1A1CGS0002	Palasitrin	C27H30O15	594.15847	494-49-5	knapsack	NA	NA
+FL1AAAGS0003	4,6,4'-Trihydroxyaurone 4,6-di-O-glucoside	C27H30O15	594.15847	-	knapsack	NA	NA
+FL1CQUCS0001	Safflor yellow A	C27H30O15	594.15847	85532-77-0	knapsack	NA	NA
+FL3FAACS0022	Isovitexin 2''-O-galactoside	C27H30O15	594.15847	101977-24-6	knapsack	NA	NA
+FL3FAACS0024	Meloside A;Isovitexin 2''-O-glucoside	C27H30O15	594.15847	60767-80-8	knapsack	NA	NA
+FL3FAACS0025	Vicenin 2	C27H30O15	594.15847	23666-13-9	knapsack	NA	NA
+FL3FAACS0027	3,6-Di-C-glucosylapigenin	C27H30O15	594.15847	90456-55-6	knapsack	NA	NA
+FL3FAACS0028	3,8-Di-C-glucopyranosylapigenin	C27H30O15	594.15847	97218-31-0	knapsack	NA	NA
+FL3FAACS0029	6,8-Di-C-galactopyranosylapigenin	C27H30O15	594.15847	82043-11-6	knapsack	NA	NA
+FL3FAACS0030	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin	C27H30O15	594.15847	90898-93-4	knapsack	NA	NA
+FL3FAACS0055	Flavosativaside;Vitexin 2''-O-glucoside	C27H30O15	594.15847	61360-94-9	knapsack	NA	NA
+FL3FAACS0065	2''-O-beta-L-galactopyranosylvitexin	C27H30O15	594.15847	861691-35-2	knapsack	NA	NA
+FL3FAACS0072	Isovitexin 6''-O-glucoside	C27H30O15	594.15847	191615-66-4	knapsack	NA	NA
+FL3FAACS0074	Vitexin 6''-O-glucoside;8-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	639850-16-1	knapsack	NA	NA
+FL3FAACS0077	6-C-Galactosylapigenin 6''-O-galactoside;6-(6-O-beta-D-Galactopyranosyl-beta-D-galactopyranosyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	615558-90-2	knapsack	NA	NA
+FL3FAADS0002	Vitexin 4'-O-galactoside	C27H30O15	594.15847	85986-96-5	knapsack	NA	NA
+FL3FAADS0003	Vitexin 7-O-glucoside	C27H30O15	594.15847	35109-95-6	knapsack	NA	NA
+FL3FAADS0004	Vitexin 4'-O-glucoside	C27H30O15	594.15847	38950-94-6	knapsack	NA	NA
+FL3FAADS0005	Neosaponarin	C27H30O15	594.15847	72059-32-6	knapsack	NA	NA
+FL3FAADS0007	Saponarin	C27H30O15	594.15847	20310-89-8	knapsack	NA	NA
+FL3FAADS0027	Isosaponarin	C27H30O15	594.15847	19416-87-6	knapsack	NA	NA
+FL3FAAGS0022	Apigenin 7-allosyl-(1->2)-glucoside	C27H30O15	594.15847	113471-88-8	knapsack	NA	NA
+FL3FAAGS0023	Apigenin 7-sophoroside	C27H30O15	594.15847	52073-83-3	knapsack	NA	NA
+FL3FAAGS0026	Apigenin 7,4'-dialloside	C27H30O15	594.15847	95693-63-3	knapsack	NA	NA
+FL3FAAGS0029	Apigenin 7,4'-diglucoside;7-(beta-D-glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	31737-50-5	knapsack	NA	NA
+FL3FAAGS0058	Apigenin 7-cellobioside;5,7,4'-Trihydroxyflavone 7-cellobioside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	211096-97-8	knapsack	NA	NA
+FL3FACCS0026	Orientin 2''-O-rhamnoside	C27H30O15	594.15847	81398-30-3	knapsack	NA	NA
+FL3FACCS0027	Isoorientin 2''-O-rhamnoside	C27H30O15	594.15847	50980-94-4	knapsack	NA	NA
+FL3FACCS0028	Isoorientin 6''-O-rhamnoside	C27H30O15	594.15847	108602-35-3	knapsack	NA	NA
+FL3FACCS0033	Elatin(flavonoid)	C27H30O15	594.15847	145364-53-0	knapsack	NA	NA
+FL3FACDS0004	Orientin 7-O-rhamnoside	C27H30O15	594.15847	29432-29-9	knapsack	NA	NA
+FL3FACDS0025	Isoorientin 7-O-rhamnoside;6-beta-D-glucopyranosyl-3',4',5,7-tetrahydroxyflavone 7-(6-deoxy-a-L-mannopyranoside)	C27H30O15	594.15847	29432-30-2	knapsack	NA	NA
+FL3FACGS0023	Luteolin 7-rutinoside	C27H30O15	594.15847	20633-84-5	knapsack	NA	NA
+FL3FACGS0024	Luteolin 7-neohesperidoside	C27H30O15	594.15847	25694-72-8	knapsack	NA	NA
+FL3FACGS0039	Luteolin 4'-neohesperidoside	C27H30O15	594.15847	70404-48-7	knapsack	NA	NA
+FL3FACGS0065	Luteolin 4'-rutinoside;2-[4-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	150460-69-8	knapsack	NA	NA
+FL3FACGS0072	Luteolin 5-O-rutinoside;5,7,3',4'-Tetrahydroxyflavone 5-O-rutinoside;5-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	140380-87-6	knapsack	NA	NA
+FL3FACGS0076	Luteolin 7-rhamnosyl(1->6)galactoside;Luteolin 7-robinobioside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	160698-21-5	knapsack	NA	NA
+FL3FADCS0005	Scoparin 2''-O-xyloside	C27H30O15	594.15847	124934-30-1	knapsack	NA	NA
+FL3FADCS0006	Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside	C27H30O15	594.15847	87261-15-2	knapsack	NA	NA
+FL3FADCS0007	Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside	C27H30O15	594.15847	87245-43-0	knapsack	NA	NA
+FL3FADCS0008	6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol	C27H30O15	594.15847	140366-47-8	knapsack	NA	NA
+FL3FADCS0009	6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol	C27H30O15	594.15847	140366-46-7	knapsack	NA	NA
+FL3FADCS0022	5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside-2''-O-glucoside;8-C-xylopyranosylchrysoeriol 2''-O-glucoside	C27H30O15	594.15847	381734-31-2	knapsack	NA	NA
+FL3FADGS0007	Luteolin 3'-methyl ether 7-arabinosyl-(1->2)-galactoside	C27H30O15	594.15847	28543-46-6	knapsack	NA	NA
+FL3FADGS0008	Luteolin 3'-methyl ether 7-apiosyl-(1->2)-glucoside	C27H30O15	594.15847	33579-63-4	knapsack	NA	NA
+FL3FADGS0021	Chrysoeriol 7-alpha-L-arabinofuranosyl-(1->6)-glucoside;7-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	189282-68-6	knapsack	NA	NA
+FL3FADGS0022	Chrysoeriol 7-apiosyl-(1->6)-glucoside;7-[(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	211561-68-1	knapsack	NA	NA
+FL3FAEGS0003	Luteolin 4'-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-beta-D-glucoside	C27H30O15	594.15847	7077-96-5	knapsack	NA	NA
+FL3FAEGS0004	Luteolin 4'-methyl ether 7-beta-L-arabinofuranosyl-(1->6)-beta-D-glucoside	C27H30O15	594.15847	7139-65-3	knapsack	NA	NA
+FL3FAEGS0005	Luteolin 4'-methyl ether 7-xylosyl-(1->6)-glucoside	C27H30O15	594.15847	108153-68-0	knapsack	NA	NA
+FL3FAGGS0007	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside;2-[3-[[6-Deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	261912-75-8	knapsack	NA	NA
+FL3FAICS0002	6,8-Di-C-arabinopyranosyltricin	C27H30O15	594.15847	79504-24-8	knapsack	NA	NA
+FL3FAKCS0001	6,8-Di-C-arabinopyranosylapometzgerin	C27H30O15	594.15847	79504-27-1	knapsack	NA	NA
+FL3FBCGS0002	Luteolin 5-methyl ether 7-xylosyl-(1->6)-glucoside	C27H30O15	594.15847	-	knapsack	NA	NA
+FL3FEAGS0008	Scutellarein 7-glucosyl-(1->4)-rhamnoside	C27H30O15	594.15847	104602-65-5	knapsack	NA	NA
+FL3FEAGS0009	Scutellarein 7-rutinoside	C27H30O15	594.15847	36285-12-8	knapsack	NA	NA
+FL3FEAGS0010	Scutellarein 7-neohesperidoside	C27H30O15	594.15847	85852-24-0	knapsack	NA	NA
+FL3FEAGS0011	Scutellarein 6-rhamnosyl-(1->2)-galactoside	C27H30O15	594.15847	137182-32-2	knapsack	NA	NA
+FL3FECGS0049	Nepetin 7-rhamnoside-3'-xyloside	C27H30O15	594.15847	-	knapsack	NA	NA
+FL3FFAGS0003	Isoscutellarein 7-neohesperidoside	C27H30O15	594.15847	110011-53-5	knapsack	NA	NA
+FL5F1CGS0003	Fisetin 7-rutinoside	C27H30O15	594.15847	27576-44-9	knapsack	NA	NA
+FL5FA8GL0002	Datiscin	C27H30O15	594.15847	16310-92-2	knapsack	NA	NA
+FL5FAAGA0007	Kaempferol 3-rhamnosyl-(1->2)-galactoside	C27H30O15	594.15847	108906-96-3	knapsack	NA	NA
+FL5FAAGA0008	Kaempferol 3-robinobioside	C27H30O15	594.15847	17297-56-2	knapsack	NA	NA
+FL5FAAGA0011	Kaempferol 3-galactoside-7-rhamnoside	C27H30O15	594.15847	38784-79-1	knapsack	NA	NA
+FL5FAAGL0009	Kaempferol 3-neohesperidoside	C27H30O15	594.15847	32602-81-6	knapsack	NA	NA
+FL5FAAGL0010	Kaempferol 3-rungioside	C27H30O15	594.15847	28447-29-2	knapsack	NA	NA
+FL5FAAGL0011	Nicotiflorin	C27H30O15	594.15847	17650-84-9	knapsack	NA	NA
+FL5FAAGL0016	Kaempferol 3-alpha-D-glucoside-7-rhamnoside	C27H30O15	594.15847	115404-54-1	knapsack	NA	NA
+FL5FAAGL0017	Kaempferol 3-glucoside-7-rhamnoside	C27H30O15	594.15847	2392-95-2	knapsack	NA	NA
+FL5FAAGS0021	Kaempferol 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	142451-65-8	knapsack	NA	NA
+FL5FAAGS0022	Multiflorin B	C27H30O15	594.15847	52657-01-9	knapsack	NA	NA
+FL5FAAGS0028	Kaempferol 3-rhamnoside-7-glucoside	C27H30O15	594.15847	64323-49-5	knapsack	NA	NA
+FL5FAAGS0035	Kaempferol 7-neohesperidoside;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	17353-03-6	knapsack	NA	NA
+FL5FAAGS0036	Kaempferol 7-galactosyl-(1->4)-rhamnoside	C27H30O15	594.15847	140845-19-8	knapsack	NA	NA
+FL5FAAGS0037	Crenuloside;Kaempferol 7-(3-glucosylrhamnoside);Kaempferol 7-glucosyl-(1->4)-xyloside;7-[(6-Deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O15	594.15847	159768-66-8	knapsack	NA	NA
+FL5FAAGS0075	Kaempferol 7-rhamnoside-4'-glucoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	205876-37-5	knapsack	NA	NA
+FL5FACGS0035	Quercetin 3,7-dirhamnoside	C27H30O15	594.15847	28638-13-3	knapsack	NA	NA
+FL5FACGS0067	Horridin (flavone);Quercetin 3-rhamnosyl-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O15	594.15847	219806-32-3	knapsack	NA	NA
+FL5FADGS0011	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside	C27H30O15	594.15847	29556-94-3	knapsack	NA	NA
+FL5FADGS0013	Isorhamnetin 3-alpha-L-arabinopyranoside-7-rhamnoside	C27H30O15	594.15847	69760-70-9	knapsack	NA	NA
+FL5FCAGA0002	Rhamnocitrin 3-lathyroside	C27H30O15	594.15847	117047-49-1	knapsack	NA	NA
+FL5FCAGL0002	Rhamnocitrin 3-apiosyl-(1->2)-glucoside	C27H30O15	594.15847	148031-68-9	knapsack	NA	NA
+FL5FDCGS0009	Quercetin 3-methyl ether 7-rhamnoside-3'-xyloside	C27H30O15	594.15847	93373-13-8	knapsack	NA	NA
+FLIA1LGS0002	2'-Hydroxydaidzein 7,4'-di-O-glucoside	C27H30O15	594.15847	88048-22-0	knapsack	NA	NA
+FLIAAACS0001	Paniculatin	C27H30O15	594.15847	32361-88-9	knapsack	NA	NA
+FLIAAADS0001	8-C-Glucopyranosylgenistein 4'-O-glucoside	C27H30O15	594.15847	147879-67-2	knapsack	NA	NA
+FLIAAAGS0004	Genistein 7,4'-di-O-glucoside	C27H30O15	594.15847	36190-98-4	knapsack	NA	NA
+FLNACCGS0004	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside	C27H30O15	594.15847	116310-59-9	knapsack	NA	NA
+C03870	Isoorientin 2''-O-rhamnoside	C27H30O15	594.1585	NA	KEGG	NA	NA
+C04024	Vitexin 2''-O-beta-D-glucoside	C27H30O15	594.1585	NA	KEGG	NA	NA
+C04025	alpha,omega-Dicarboxylic acid	C2H2O4	594.1585	NA	KEGG	NA	NA
+C04026	alpha-N-Substituted L-arginine	C6H13N4O2R	594.1585	NA	KEGG	NA	NA
+C04199	Isovitexin 2''-O-beta-D-glucoside	C27H30O15	594.1585	NA	KEGG	NA	NA
+C08064	Saponarin	C27H30O15	594.1585	NA	KEGG	NA	NA
+C10195	Vicenin-2	C27H30O15	594.1585	NA	KEGG	NA	NA
+C10513	Paniculatin	C27H30O15	594.1585	NA	KEGG	NA	NA
+C12630	Scolymoside	C27H30O15	594.1585	NA	KEGG	NA	NA
+C17600	Multiflorin B	C27H30O15	594.1585	NA	KEGG	NA	NA
+PJ007498	CNDDE 	C20H30N6O13S	594.1592	NA	PeJP	NA	NA
+MJ084233	Rilozarone 	C32H36BrClN2O2	594.164868	NA	MeJP	NA	NA
+MJ084234	Haedoxan A; 4'',6''-Bis(demethoxy) 	C31H30O12	594.173726	NA	MeJP	NA	NA
+PJ007499	GCDDW 	C24H30N6O10S	594.1744	NA	PeJP	NA	NA
+PJ007500	GSSDDD 	C20H30N6O15	594.1769	NA	PeJP	NA	NA
+PJ007501	GSPCCE 	C21H34N6O10S2	594.1778	NA	PeJP	NA	NA
+PJ007502	CNNNM 	C20H34N8O9S2	594.189	NA	PeJP	NA	NA
+PJ007503	GGGGGGCM 	C20H34N8O9S2	594.1891	NA	PeJP	NA	NA
+PJ007504	SPCCW 	C25H34N6O7S2	594.1931	NA	PeJP	NA	NA
+FL1CDAGS0002	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-apiosyl-(1->2)-glucoside	C28H34O14	594.19485	112526-49-5	knapsack	NA	NA
+FL2FAAGM0004	Miconioside B;Farrerol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside;5,7,4-Trihydroxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside	C28H34O14	594.19485	495396-20-8	knapsack	NA	NA
+FL2FAAGS0027	Fumotonaringin;Naringenin 7-rhamnosyl-(1->2)-(4-O-methylglucoside);5,7,4'-Trihydroxyflavanone 7-rhamnosyl-(1->2)-(4-O-methylglucoside)	C28H34O14	594.19485	147659-04-9	knapsack	NA	NA
+FL2FABGS0001	Poncirin	C28H34O14	594.19485	14941-08-3	knapsack	NA	NA
+FL2FABGS0005	Didymin	C28H34O14	594.19485	14259-47-3	knapsack	NA	NA
+FL2FABGS0006	Acinoside	C28H34O14	594.19485	-	knapsack	NA	NA
+MJ084235	1,3,8,9-Tetrahydroxy-6-methylanthracene; 3-Me ether, O-diglucoside 	C28H34O14	594.194855	NA	MeJP	NA	NA
+MJ084236	3',5,7-Trihydroxyflavanone, 3'-Me ether, 7-O-rutinoside 	C28H34O14	594.194855	NA	MeJP	NA	NA
+MJ084237	5,7-Dihydroxy-4'-methoxyflavanone, 7-O-Neohesperidoside 	C28H34O14	594.194855	NA	MeJP	NA	NA
+MJ084238	5,7-Dihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C28H34O14	594.194855	NA	MeJP	NA	NA
+MJ084239	5,7-Dihydroxy-4'-methoxyflavanone, 7-Rutinoside 	C28H34O14	594.194855	NA	MeJP	NA	NA
+MJ084240	Shanzhiside; 6-(4-Hydroxycinnamoyl)(E-), 8-Ac, Me ester 	C28H34O14	594.194855	NA	MeJP	NA	NA
+MJ084241	Shanzhiside; 6-(4-Hydroxycinnamoyl)(Z-), 8-Ac, Me ester 	C28H34O14	594.194855	NA	MeJP	NA	NA
+C09830	Poncirin	C28H34O14	594.1949	NA	KEGG	NA	NA
+PJ007505	SNDEM 	C21H34N6O12S	594.1956	NA	PeJP	NA	NA
+PJ007506	PCNMM 	C22H38N6O7S3	594.1964	NA	PeJP	NA	NA
+MJ084242	Cannabisin A 	C34H30N2O8	594.200215	NA	MeJP	NA	NA
+PJ007507	SCDDR 	C20H34N8O11S	594.2068	NA	PeJP	NA	NA
+PJ007508	GSDMW 	C25H34N6O9S	594.2108	NA	PeJP	NA	NA
+PJ007509	GSSSEE 	C21H34N6O14	594.2133	NA	PeJP	NA	NA
+PJ007510	GQEMM 	C22H38N6O9S2	594.2142	NA	PeJP	NA	NA
+PJ007511	CFYY 	C30H34N4O7S	594.2148	NA	PeJP	NA	NA
+MJ084243	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-?-D-Glucopyranoside, 3'-O-[?-L-arabinopyranosyl-(1?2)-?-L-rhamnopyranosyl] 	C25H38O16	594.215985	NA	MeJP	NA	NA
+MJ084244	Benzyl alcohol; O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C25H38O16	594.215985	NA	MeJP	NA	NA
+C17565	Zizybeoside II	C25H38O16	594.216	NA	KEGG	NA	NA
+MJ084245	Renieramycin A; 1-Oxo, Me ether 	C31H34N2O10	594.221345	NA	MeJP	NA	NA
+PJ007512	SSSSNN 	C20H34N8O13	594.2245	NA	PeJP	NA	NA
+PJ007513	GGSSSSN 	C20H34N8O13	594.2246	NA	PeJP	NA	NA
+PJ007514	GCEMR 	C21H38N8O8S2	594.2254	NA	PeJP	NA	NA
+PJ007515	TCWW 	C29H34N6O6S	594.2261	NA	PeJP	NA	NA
+PJ007516	SSSEW 	C25H34N6O11	594.2286	NA	PeJP	NA	NA
+PJ007517	QMMW 	C26H38N6O6S2	594.2294	NA	PeJP	NA	NA
+MJ084246	Syringaresinol, 4-Me ether, 4'-O-?-D-glucopyranoside 	C29H38O13	594.231241	NA	MeJP	NA	NA
+PJ007518	STQEM 	C22H38N6O11S	594.2319	NA	PeJP	NA	NA
+PJ007519	GGTTEM 	C22H38N6O11S	594.232	NA	PeJP	NA	NA
+PJ007520	SYYY 	C30H34N4O9	594.2326	NA	PeJP	NA	NA
+PJ007521	GNMHH 	C23H34N10O7S	594.2333	NA	PeJP	NA	NA
+MJ084247	Gilletine; Stereoisomer, N2-oxide 	C35H34N2O7	594.236601	NA	MeJP	NA	NA
+MJ084248	Allosamidin; N,N-Di-de-Me 	C23H38N4O14	594.238451	NA	MeJP	NA	NA
+PJ007522	GNNQY 	C24H34N8O10	594.2398	NA	PeJP	NA	NA
+PJ007523	CMRW 	C25H38N8O5S2	594.2407	NA	PeJP	NA	NA
+PJ007524	SSDMR 	C21H38N8O10S	594.2432	NA	PeJP	NA	NA
+PJ007525	NEFW 	C29H34N6O8	594.2438	NA	PeJP	NA	NA
+MJ084249	1,2,3,4,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,3-di-Ac 	C33H38O10	594.246497	NA	MeJP	NA	NA
+MJ084250	1,2,3,6,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6-di-Ac 	C33H38O10	594.246497	NA	MeJP	NA	NA
+MJ084251	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6-di-Ac 	C33H38O10	594.246497	NA	MeJP	NA	NA
+MJ084252	4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide, 6-Cinnamoyl, 7,19-di-Ac 	C33H38O10	594.246497	NA	MeJP	NA	NA
+MJ084253	6,11,12-Trihydroxy-3,7-dioxo-1,5,14-meliacatrien-29-oic acid; 12?-form, 12-(Methylpropanoyl), 11-Ac, Me ester 	C33H38O10	594.246497	NA	MeJP	NA	NA
+PJ007526	GTTMW 	C26H38N6O8S	594.2472	NA	PeJP	NA	NA
+PJ007527	GSTTTE 	C22H38N6O13	594.2497	NA	PeJP	NA	NA
+PJ007528	GKEMM 	C23H42N6O8S2	594.2506	NA	PeJP	NA	NA
+PJ007529	SSQHH 	C23H34N10O9	594.251	NA	PeJP	NA	NA
+PJ007530	GGSTHH 	C23H34N10O9	594.2511	NA	PeJP	NA	NA
+MJ084254	Cholest-22-ene-3,4,11,21-tetrol, 3,21-Disulfate 	C27H46O10S2	594.253239	NA	MeJP	NA	NA
+MJ084255	Cholest-5-ene-2,3,21,26-tetrol, 2,21-Disulfate 	C27H46O10S2	594.253239	NA	MeJP	NA	NA
+MJ084256	Cholest-5-ene-2,3,4,21-tetrol, 3,21-Disulfate 	C27H46O10S2	594.253239	NA	MeJP	NA	NA
+MJ084257	Raugustine 	C32H38N2O9	594.25773	NA	MeJP	NA	NA
+MJ084258	Renieramycin A; Et ether 	C32H38N2O9	594.25773	NA	MeJP	NA	NA
+MJ084259	Reserpine, O17-De-Me 	C32H38N2O9	594.25773	NA	MeJP	NA	NA
+PJ007531	GPCRY 	C25H38N8O7S	594.2584	NA	PeJP	NA	NA
+PJ007532	GGPPMH 	C25H38N8O7S	594.2585	NA	PeJP	NA	NA
+PJ007533	GFWW 	C33H34N6O5	594.2591	NA	PeJP	NA	NA
+PJ007534	GTMMR 	C22H42N8O7S2	594.2618	NA	PeJP	NA	NA
+PJ007535	STTTW 	C26H38N6O10	594.265	NA	PeJP	NA	NA
+PJ007536	KMMW 	C27H42N6O5S2	594.2658	NA	PeJP	NA	NA
+MJ084260	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,2-dibutanoyl, 14-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084261	3,6,8,12,14-Pentahydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084262	4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 2,7,9,10,13-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084263	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 4?,20-Epoxide, 2,7,9,10,13-penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084264	4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 2,7,9,10,13-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084265	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylpropanoyl), 6,19-di-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084266	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,14,20-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084267	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,11,14-Hexa-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084268	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,14-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084269	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,20-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084270	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 6,7,9,14,20-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084271	5,20-Epoxy-11-taxene-2,4,7,9,10,13-hexol, 2,7,9,10,13-Penta-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084272	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3-Butanoyl, 2,9,14-tri-Ac 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084273	Centrolobol, 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H42O12	594.267626	NA	MeJP	NA	NA
+MJ084274	Centrolobol, 4''-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H42O12	594.267626	NA	MeJP	NA	NA
+3088	gluten B5 exorphin	YGGWL	594.268	celiac toxic	Inhouse_peptide	NA	peptide
+PJ007537	STKEM 	C23H42N6O10S	594.2683	NA	PeJP	NA	NA
+PJ007538	ACKHH 	C24H38N10O6S	594.2697	NA	PeJP	NA	NA
+MJ084275	7-O-Demethylpeinamine, O7-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084276	7-O-Demethylpeinamine, N2-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084277	7-O-Demethylpeinamine, O7-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084278	Antioquine, N2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084279	Aromoline 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084280	Atherospermoline 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084281	Baluchistine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084282	Berbamine; O6-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084283	Chondocurine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084284	Curine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084285	Daphnandrine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084286	Dryadodaphnine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084287	Fangchinoline, N2'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084288	Fangchinoline, N2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084289	Isochondodendrine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084290	Isothalicberine; O7-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084291	Khyberine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084292	Lauberine; O12-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084293	Lauberine; O6-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084294	Limacusine, N2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084295	Limacusine, O12-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084296	Obamegine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084297	Oxyacanthine; N2'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084298	Oxyacanthine; N2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084299	Pakistanamine; O1,O6'-Di-de-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084300	Pakistanamine; O1,O6-Di-de-Me, 13-epimer 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084301	Pakistanamine; O1,O7'-Di-de-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084302	Pakistanine; N2'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084303	Pakistanine; O6'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084304	Pakistanine; O7'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084305	Panurensine; N2'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084306	Protocuridine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084307	Pycnamine, 2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084308	Repandine; N2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084309	Tetrandrine, Di-N-de-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084310	Thalbadenzine 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084311	Thalicberine; O7-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084312	Thaliphylline; N2'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084313	Thalmine; 2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084314	Thalrugosine; N2-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084315	Tiliageine; 1'-Epimer, O7-Me, N2,N2'-di-de-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084316	Tiliageine; N2'-De-Me 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084317	Warifteine; 1,2-Dihydro 	C36H38N2O6	594.272986	NA	MeJP	NA	NA
+MJ084318	Aromoline 	C36H38N2O6	594.272987	NA	MeJP	NA	NA
+MJ084319	Obamegine 	C36H38N2O6	594.272987	NA	MeJP	NA	NA
+C06513	Obamegine	C36H38N2O6	594.273	NA	KEGG	NA	NA
+C06514	Aromoline	C36H38N2O6	594.273	NA	KEGG	NA	NA
+C09352	(+)-Bebeerine	C36H38N2O6	594.273	NA	KEGG	NA	NA
+C09415	Daphnandrine	C36H38N2O6	594.273	NA	KEGG	NA	NA
+C09543	Isochondrodendrine	C36H38N2O6	594.273	NA	KEGG	NA	NA
+C11141	(+)-Atherospermoline	C36H38N2O6	594.273	NA	KEGG	NA	NA
+PJ007539	QERY 	C25H38N8O9	594.2762	NA	PeJP	NA	NA
+JH184	Genistein N/A	NA	594.2763	18.64	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+JH184	Genistein N/A	NA	594.2763	18.64	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+JH184	Genistein N/A	NA	594.2763	18.64	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+JH184	Genistein N/A	NA	594.2763	18.64	Inhousejuil11	NA	NA
+PJ007540	STTMR 	C22H42N8O9S	594.2796	NA	PeJP	NA	NA
+PJ007541	VQYW 	C30H38N6O7	594.2802	NA	PeJP	NA	NA
+PJ007542	GPKMY 	C27H42N6O7S	594.2836	NA	PeJP	NA	NA
+PJ007543	SSSTTL 	C23H42N6O12	594.2861	NA	PeJP	NA	NA
+PJ007544	SVKMM 	C24H46N6O7S2	594.287	NA	PeJP	NA	NA
+PJ007545	GPEHR 	C24H38N10O8	594.2874	NA	PeJP	NA	NA
+MJ084320	4(15)-Eudesmene-1,6,11,14-tetrol, 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H46O14	594.288756	NA	MeJP	NA	NA
+PJ007546	ARYW 	C29H38N8O6	594.2914	NA	PeJP	NA	NA
+PJ007547	GPVHW 	C29H38N8O6	594.2915	NA	PeJP	NA	NA
+8166	peptide derived from human fibrinogen ?-chain (400-411)	HHLGGAKQAGDV	594.29195	MH2+	Inhouse_peptide	NA	peptide
+PJ007548	AAMFR 	C26H42N8O6S	594.2948	NA	PeJP	NA	NA
+7475	coeliac toxic peptide	VEKIGGASSRGE	594.2975	MH2+	Inhouse_peptide	NA	peptide
+3165	laminin-like peptide	YIGSR	594.301	celiac toxic	Inhouse_peptide	NA	peptide
+3427	NA	YIGSR	594.301	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ007549	SPTKY 	C27H42N6O9	594.3013	NA	PeJP	NA	NA
+PJ007550	GVKEY 	C27H42N6O9	594.3014	NA	PeJP	NA	NA
+3482	ACE inhibitor	SFQPQPLIYP	594.3015	MH2+	Inhouse_peptide	NA	peptide
+PJ007551	PHRW 	C28H38N10O5	594.3027	NA	PeJP	NA	NA
+MJ084321	1,3,4,5,8,10,11-Heptahydroxy-7(14)-bisabolen-2-one; 11-Me ether, 1,4,8-triangeloyl 	C31H46O11	594.304012	NA	MeJP	NA	NA
+MJ084322	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-O-Acetyl-?-D-allopyranoside) 	C31H46O11	594.304012	NA	MeJP	NA	NA
+MJ084323	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[6-O-Acetyl-?-D-glucopyranoside] 	C31H46O11	594.304012	NA	MeJP	NA	NA
+MJ084324	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-?-D-glucopyranoside 	C31H46O11	594.304012	NA	MeJP	NA	NA
+MJ084325	3,14,19-Trihydroxycard-20(22)-enolide, 19-Ac, 3-O-?-D-glucopyranoside 	C31H46O11	594.304012	NA	MeJP	NA	NA
+PJ007552	KERY 	C26H42N8O8	594.3126	NA	PeJP	NA	NA
+PJ007553	VKYW 	C31H42N6O6	594.3166	NA	PeJP	NA	NA
+MJ084326	Ingenol; 16-Angeloyloxy, 3-(2,4,6-decatrienoyl) 	C35H46O8	594.319268	NA	MeJP	NA	NA
+MJ084327	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-tigloyl 	C35H46O8	594.319268	NA	MeJP	NA	NA
+PJ007554	GLKMF 	C28H46N6O6S	594.32	NA	PeJP	NA	NA
+MJ084328	4,4-Dimethylergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 12-Ac, 3-O-sulfate 	C32H50O8S	594.322639	NA	MeJP	NA	NA
+PJ007555	TRRY 	C25H42N10O7	594.3238	NA	PeJP	NA	NA
+MJ084329	Murrafoline A 	C41H42N2O2	594.324628	NA	MeJP	NA	NA
+MJ084330	Orthenthose 	C28H50O13	594.325141	NA	MeJP	NA	NA
+MJ084331	Trienomycin; Trienomycin F 	C34H46N2O7	594.330501	NA	MeJP	NA	NA
+PJ007556	ATLKY 	C28H46N6O8	594.3377	NA	PeJP	NA	NA
+MJ084332	3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 5,7,8-Tris(2-methylpropanoyl) 	C32H50O10	594.340397	NA	MeJP	NA	NA
+MJ084333	Strevertenes; Strevertene B 	C32H50O10	594.340397	NA	MeJP	NA	NA
+MJ084334	Strevertenes; Strevertene C 	C32H50O10	594.340397	NA	MeJP	NA	NA
+MJ084335	Tedanolide; 13-Deoxy 	C32H50O10	594.340397	NA	MeJP	NA	NA
+C16861	13-Deoxytedanolide	C32H50O10	594.3404	NA	KEGG	NA	NA
+C05793	L-Urobilin	C33H46N4O6	594.3417	NA	KEGG	NA	NA
+HMDB04159	L-Urobilin	C33H46N4O6	594.341736	NA	HMDB2010	NA	NA
+HMDB04159	L-Urobilin	C33H46N4O6	594.34174	http://www.hmdb.ca/metabolites/HMDB04159	HMDB	NA	NA
+HMDB04159	L-Urobilin	C33H46N4O6	594.34174	HMDB04159	PFEM_hmdb_metabocards_official	NA	NA
+CJneg0647	L-urobilin [(M-H)]-	C33H45N4O6	594.342325	C18rt(min)=9.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0647	L-urobilin [(M-H)]-	C33H45N4O6	594.342325	C18rt(min)=9.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ007557	PTLKH 	C27H46N8O7	594.349	NA	PeJP	NA	NA
+MJ084336	3,14,22,25-Tetrahydroxycholest-7-en-6-one, 25-Benzoyl, 22-Ac 	C36H50O7	594.355653	NA	MeJP	NA	NA
+MJ084337	3,3'-Dicaffeic acid, Di-Me ether, dioctyl ester 	C36H50O7	594.355653	NA	MeJP	NA	NA
+C16147	Glycosyl-4,4'-diaponeurosporenoate	C36H50O7	594.3557	NA	KEGG	NA	NA
+PJ007558	GLLHR 	C26H46N10O6	594.3602	NA	PeJP	NA	NA
+2621	synthetic fr,of human beta-CN (72-77) ACE inhibitor	PAVVLP	594.361	NA	Inhouse_peptide	NA	peptide
+MJ084338	2,3-Didehydro-3,3'-dihydroxy-?,?-carotene-4,4'-dione 	C40H50O4	594.37091	NA	MeJP	NA	NA
+MJ084339	7,7',8,8'-Tetradehydro-3,3',4'-trihydroxy-?,?-caroten-4-one 	C40H50O4	594.37091	NA	MeJP	NA	NA
+MJ084340	7,7',8,8'-Tetradehydroastaxanthin; 7',8'-Dihydro 	C40H50O4	594.37091	NA	MeJP	NA	NA
+PJ007559	GPPVLL 	C29H50N6O7	594.3741	NA	PeJP	NA	NA
+MJ084341	Aldecalmycin 	C33H54O9	594.376783	NA	MeJP	NA	NA
+MJ084342	Cotylenin E; 4'-O-(1,1-Dimethyl-2-propenyl) 	C33H54O9	594.376783	NA	MeJP	NA	NA
+MJ084343	Furost-5-ene-3,22,26-triol, 26-O-?-D-Glucopyranoside 	C33H54O9	594.376783	NA	MeJP	NA	NA
+MJ084344	Spirostane-1,3-diol, 3-O-?-D-Glucopyranoside 	C33H54O9	594.376783	NA	MeJP	NA	NA
+MJ084345	Spirostane-2,3-diol, 3-O-?-D-Galactopyranoside 	C33H54O9	594.376783	NA	MeJP	NA	NA
+MJ084346	Spirostane-3,11-diol, 11-O-?-D-Galactopyranoside 	C33H54O9	594.376783	NA	MeJP	NA	NA
+PJ007560	PPLLR 	C28H50N8O6	594.3854	NA	PeJP	NA	NA
+MJ084347	Buxaminol I; N3,N3-Di-Me, O-(4-hydroxy-3,5-dimethoxybenzoyl) 	C35H52N3O5	594.390696	NA	MeJP	NA	NA
+MJ084348	12-Oleanene-3,16,21,22,28-pentol, 21-Benzoyl 	C37H54O6	594.392039	NA	MeJP	NA	NA
+MJ084349	3,11,12-Trihydroxy-20-ursen-28-oic acid, 3-O-(4-Hydroxyphenyl), 11-Me ether 	C37H54O6	594.392039	NA	MeJP	NA	NA
+MJ084350	3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 1'-O-(9Z,12Z-Octadecadienoyl) 	C37H54O6	594.392039	NA	MeJP	NA	NA
+MJ084351	Hericenone H 	C37H54O6	594.392039	NA	MeJP	NA	NA
+MJ084352	Ingenol; 3-(2Z,4Z-Tetradecadienoyl), 5,20-acetonide 	C37H54O6	594.392039	NA	MeJP	NA	NA
+MJ084353	Eurylene 	C34H58O8	594.413168	NA	MeJP	NA	NA
+MJ084354	Huratoxin; 3-Alcohol, 1,2,2',3',4',5',15,16-octahydro 	C34H58O8	594.413168	NA	MeJP	NA	NA
+MJ084355	Phomenoic acid 	C34H58O8	594.413168	NA	MeJP	NA	NA
+MJ084356	Raspacionin; 21-Deacetyl, 10,28-dihydro, 10?-acetoxy 	C34H58O8	594.413168	NA	MeJP	NA	NA
+MJ084357	Echinenone; 4'-Ethoxy 	C42H58O2	594.443681	NA	MeJP	NA	NA
+MJ084358	6-Hydroxydesacetyluvaricin (incorr.) 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084359	Annocherin 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084360	Annonacin; 10-Ketone 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084361	Annonacin; 19,20-Diepimer, 10-ketone 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084362	Annoreticuin; 9-Deoxy, 11-oxo 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084363	Annoreticuin; 9-Ketone 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084364	Atemoyin; 21-Epimer, 26?-hydroxy 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084365	Isoannonacin A; 10-Ketone, 20-epimer 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084366	Isomolvizarin 1 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084367	Longimicin B 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084368	Longimicin C 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084369	Molvizarin 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084370	Parviflorin 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084371	Rollimembrin 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084372	Rollinacin 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084373	Squamolinone 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084374	Squamone 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084375	Stigmastane-3,5-diol, 3-O-?-D-Glucopyranoside 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084376	Xylopianin; 8-Ketone 	C35H62O7	594.449554	NA	MeJP	NA	NA
+MJ084377	8,13-Epoxy-14,15,16,19-labdanetetrol, 19-Hexadecanoyl 	C36H66O6	594.485939	NA	MeJP	NA	NA
+C13861	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol	C37H70O5	594.5223	NA	KEGG	NA	NA
+HMDB07021	DG(14:0/20:1(11Z)/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07049	DG(14:1(9Z)/20:0/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07101	DG(16:0/18:1(11Z)/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07102	DG(16:0/18:1(9Z)/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07129	DG(16:1(9Z)/18:0/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07157	DG(18:0/16:1(9Z)/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07185	DG(18:1(11Z)/16:0/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07214	DG(18:1(9Z)/16:0/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07357	DG(20:0/14:1(9Z)/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB07385	DG(20:1(11Z)/14:0/0:0)	C37H70O5	594.522339	NA	HMDB2010	NA	NA
+HMDB05204	DG(16:0/18:1(11Z)/0:0)	C37H70O5	594.52234	http://www.hmdb.ca/metabolites/HMDB05204	HMDB	NA	NA
+HMDB05205	DG(16:0/18:1(9Z)/0:0)	C37H70O5	594.52234	http://www.hmdb.ca/metabolites/HMDB05205	HMDB	NA	NA
+HMDB05219	DG(16:1(9Z)/18:0/0:0)[iso2]	C37H70O5	594.52234	http://www.hmdb.ca/metabolites/HMDB05219	HMDB	NA	NA
+HMDB05226	DG(18:1(9Z)/16:0/0:0)	C37H70O5	594.52234	http://www.hmdb.ca/metabolites/HMDB05226	HMDB	NA	NA
+HMDB05204	DG(16:0/18:1(11Z)/0:0)	C37H70O5	594.52234	HMDB05204	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05205	DG(16:0/18:1(9Z)/0:0)	C37H70O5	594.52234	HMDB05205	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05219	DG(16:1(9Z)/18:0/0:0)[iso2]	C37H70O5	594.52234	HMDB05219	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05226	DG(18:1(9Z)/16:0/0:0)	C37H70O5	594.52234	HMDB05226	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10367	CE(14:1(9Z))	C41H70O2	594.537598	NA	HMDB2010	NA	NA
+MJ084378	3,7,11,15,18,22,26,30-Octamethyl-1,32-dotriacontanediol 	C40H82O2	594.631481	NA	MeJP	NA	NA
+2731	renin inhibitor	PHPFHFFVY	594.7775	MH2+	Inhouse_peptide	NA	peptide
+2845	orphanin FQ/nociceptin analog [FQ/N (1-11)]	FGGFTGARKSY	594.7865	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc03940	heparin [enoxaparin;]	C12H21N1O20S3	594.981904	9005-49-6	metacyc	NA	NA
+MetaCyc03941	3-adp-2-phosphoglycerate []	C13H20N5O16P3	595.011789	NA	metacyc	NA	NA
+C03673	3-(ADP)-2-phosphoglycerate	C13H20N5O16P3	595.0118	NA	KEGG	NA	NA
+C03674	3-Carbamoyloxymethylcephem	C10H9N3O6SR2	595.0118	NA	KEGG	NA	NA
+MJ084379	Nakamuric acid; Me ester 	C21H23Br2N7O4	595.017827	NA	MeJP	NA	NA
+MJ084380	Dichloro(5,7,8,10,11,13,14,16-octahydro[1,4,7,10]tetraoxacyclohexadecino[13,12-b:14,15-b']bipyridine-N1,N20)platinum 	C18H22Cl2N2O4Pt	595.060437	NA	MeJP	NA	NA
+MJ084381	Pyritidium(2+); Dibromide 	C26H27Br2N7	595.069469	NA	MeJP	NA	NA
+MJ084382	Lamellarin H; 5,6-Dihydro, 8,9,13,21-tetra-Me ether, 20-sulfate 	C29H25NO11S	595.114831	NA	MeJP	NA	NA
+PJ007561	CCCMH 	C20H33N7O6S4	595.1375	NA	PeJP	NA	NA
+PJ007562	CDDDE 	C20H29N5O14S	595.1432	NA	PeJP	NA	NA
+FL7AAAGL0018	Pelargonidin 3-(6''-caffeylglucoside)	C30H27O13	595.14516	-	knapsack	NA	NA
+FL7AACGL0030	Hyacinthin;Cyanidin 3-(6-O-p-coumarylglucoside)	C30H27O13	595.14516	56767-17-0	knapsack	NA	NA
+MetaCyc03942	pelargonidin 3-O-&beta;-D-caffeoylglucoside []	C30H27O13	595.145166	NA	metacyc	NA	NA
+C12095	Cyanidin 3-O-(6-O-p-coumaroyl)glucoside	C30H27O13	595.1452	NA	KEGG	NA	NA
+C16297	Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside)	C30H27O13	595.1452	NA	KEGG	NA	NA
+MJ084383	Cephamycin B; 3'-Hydroxy 	C25H29N3O12S	595.147194	NA	MeJP	NA	NA
+PJ007563	GPCCCN 	C20H33N7O8S3	595.1553	NA	PeJP	NA	NA
+FL7AAAGA0004	Pelargonidin 3-galactoside-5-glucoside	C27H31O15	595.16629	-	knapsack	NA	NA
+FL7AAAGL0001	Pelargonin;Pelargonidin 3,5-di-beta-D-glucoside	C27H31O15	595.16629	17334-58-6	knapsack	NA	NA
+FL7AAAGL0004	Pelargonidin 3-sophoroside	C27H31O15	595.16629	34365-81-6	knapsack	NA	NA
+FL7AAAGL0005	Pelargonidin 3-gentiobioside	C27H31O15	595.16629	103102-91-6	knapsack	NA	NA
+FL7AAAGL0056	Pelargonidin 3,7-di-glucoside	C27H31O15	595.16629	102521-86-8	knapsack	NA	NA
+FL7AACGA0003	Cyanidin 3-robinobioside	C27H31O15	595.16629	54542-59-5	knapsack	NA	NA
+FL7AACGL0002	Cyanidin 3-rutinoside	C27H31O15	595.16629	18719-76-1	knapsack	NA	NA
+FL7AACGL0009	Cyanidin 3-neohesperidoside;Cyanidin 3-(2-rhamnosylglucoside)	C27H31O15	595.16629	54947-80-7	knapsack	NA	NA
+FL7AACGL0012	Cyanidin 3-glucoside-7-rhamnoside	C27H31O15	595.16629	26784-20-3	knapsack	NA	NA
+FL7AACGS0006	Cyanidin 3-rhamnoside-5-glucoside	C27H31O15	595.16629	53859-12-4	knapsack	NA	NA
+FL7AADGA0003	Peonidin 3-[2-(xylosyl)galactoside]	C27H31O15	595.16629	155380-00-0	knapsack	NA	NA
+FL7AADGL0003	Peonidin 3-sambubioside	C27H31O15	595.16629	80950-34-1	knapsack	NA	NA
+FL7AADGL0027	Peonidin 3-(4'-arabinosylglucoside)	C27H31O15	595.16629	73818-28-7	knapsack	NA	NA
+FL7AEAGL0001	6-Hydroxypelargonidin 3-rutinoside	C27H31O15	595.16629	554450-50-9	knapsack	NA	NA
+FL7DACGS0004	Luteolinidin 5,7-diglucoside	C27H31O15	595.16629	53947-98-1	knapsack	NA	NA
+MetaCyc03943	pelargonidin-3,5-diglucoside []	C27H31O15	595.166295	NA	metacyc	NA	NA
+MetaCyc03944	cyanidin 3-O-rhamnosylglucoside [CYANIDIN-3-O-D-RHAMNOSYL-(1,6)-D-GLUCOSIDE;]	C27H31O15	595.166295	NA	metacyc	NA	NA
+MetaCyc03945	cyanidin 3-rutinoside [antirrhinin;sambucin;keracyanin;cyanidin 3-rhamnoglucoside;]	C27H31O15	595.166295	NA	metacyc	NA	NA
+C08620	Cyanidin 3-O-rutinoside	C27H31O15	595.1663	NA	KEGG	NA	NA
+C08725	Pelargonin	C27H31O15	595.1663	NA	KEGG	NA	NA
+C16305	Pelargonidin 3-O-sophoroside	C27H31O15	595.1663	NA	KEGG	NA	NA
+PJ007564	CNNDM 	C20H33N7O10S2	595.1731	NA	PeJP	NA	NA
+PJ007565	SDDEM 	C21H33N5O13S	595.1796	NA	PeJP	NA	NA
+PJ007566	PCDMM 	C22H37N5O8S3	595.1804	NA	PeJP	NA	NA
+PJ007567	GCCQW 	C24H33N7O7S2	595.1883	NA	PeJP	NA	NA
+MJ084384	Furo[2,3-b]quinoline-4,7,8-triol; OH-form, 4,8-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-2-O-acetyl-?-L-rhamnopyranoside] 	C27H33NO14	595.190104	NA	MeJP	NA	NA
+PJ007568	GSSCNE 	C20H33N7O12S	595.1908	NA	PeJP	NA	NA
+PJ007569	PCDDF 	C25H33N5O10S	595.1948	NA	PeJP	NA	NA
+PJ007570	GEEMM 	C22H37N5O10S2	595.1982	NA	PeJP	NA	NA
+PJ007571	PCCHH 	C23H33N9O6S2	595.1995	NA	PeJP	NA	NA
+MJ084385	N-[2-[[1-[(2-Bromophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazol-6-yl]oxy]ethyl]-N-(1-methylethyl)-2-propanamine 	C31H38BrN3O4	595.204569	NA	MeJP	NA	NA
+PJ007572	SSCNW 	C24H33N7O9S	595.2061	NA	PeJP	NA	NA
+MJ084386	Tauroselcholic acid 	C26H45NO7SSe	595.208195	NA	MeJP	NA	NA
+PJ007573	SSSSND 	C20H33N7O14	595.2086	NA	PeJP	NA	NA
+PJ007574	SNNMM 	C21H37N7O9S2	595.2094	NA	PeJP	NA	NA
+PJ007575	GGGGSMM 	C21H37N7O9S2	595.2095	NA	PeJP	NA	NA
+PJ007576	SPDDY 	C25H33N5O12	595.2126	NA	PeJP	NA	NA
+PJ007577	EMMW 	C26H37N5O7S2	595.2135	NA	PeJP	NA	NA
+PJ007578	STEEM 	C22H37N5O12S	595.216	NA	PeJP	NA	NA
+PJ007579	SPMMM 	C23H41N5O7S3	595.2168	NA	PeJP	NA	NA
+PJ007580	GDMHH 	C23H33N9O8S	595.2173	NA	PeJP	NA	NA
+MJ084387	Acrimarine J; O5-De-Me, 6-deoxy 	C35H33NO8	595.220617	NA	MeJP	NA	NA
+PJ007581	SCCQR 	C20H37N9O8S2	595.2207	NA	PeJP	NA	NA
+PJ007582	GNNEY 	C24H33N7O11	595.2238	NA	PeJP	NA	NA
+PJ007583	GCCKW 	C25H37N7O6S2	595.2247	NA	PeJP	NA	NA
+PJ007584	GSSSQM 	C21H37N7O11S	595.2272	NA	PeJP	NA	NA
+PJ007585	DEFW 	C29H33N5O9	595.2279	NA	PeJP	NA	NA
+PJ007586	GPEMY 	C26H37N5O9S	595.2312	NA	PeJP	NA	NA
+PJ007587	SVEMM 	C23H41N5O9S2	595.2346	NA	PeJP	NA	NA
+PJ007588	SSEHH 	C23H33N9O10	595.2351	NA	PeJP	NA	NA
+PJ007589	GSSSCR 	C20H37N9O10S	595.2384	NA	PeJP	NA	NA
+PJ007590	NNYW 	C28H33N7O8	595.2391	NA	PeJP	NA	NA
+MJ084388	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-benzoyl, 1,6-di-Ac 	C32H37NO10	595.241746	NA	MeJP	NA	NA
+MJ084389	1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1,2-di-Ac 	C32H37NO10	595.241746	NA	MeJP	NA	NA
+MJ084390	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1-benzoyl, 8,9-di-Ac 	C32H37NO10	595.241746	NA	MeJP	NA	NA
+PJ007591	GNQMF 	C25H37N7O8S	595.2425	NA	PeJP	NA	NA
+PJ007592	SSSSTQ 	C21H37N7O13	595.2449	NA	PeJP	NA	NA
+PJ007593	GGSSSTT 	C21H37N7O13	595.245	NA	PeJP	NA	NA
+PJ007594	SCQKM 	C22H41N7O8S2	595.2458	NA	PeJP	NA	NA
+PJ007595	PMYW 	C30H37N5O6S	595.2465	NA	PeJP	NA	NA
+HMDB02581	Taurocholic acid 3-sulfate	C26H45NO10S2	595.24847	http://www.hmdb.ca/metabolites/HMDB02581	HMDB	NA	NA
+HMDB02581	Taurocholic acid 3-sulfate	C26H45NO10S2	595.24847	HMDB02581	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02581	Taurocholic acid 3-sulfate	C26H45NO10S2	595.248474	NA	HMDB2010	NA	NA
+PJ007596	GVEEY 	C26H37N5O11	595.249	NA	PeJP	NA	NA
+PJ007597	APMMF 	C27H41N5O6S2	595.2498	NA	PeJP	NA	NA
+PJ007598	ALMMM 	C24H45N5O6S3	595.2532	NA	PeJP	NA	NA
+PJ007599	GCNFR 	C24H37N9O7S	595.2537	NA	PeJP	NA	NA
+PJ007600	SCCKR 	C21H41N9O7S2	595.2571	NA	PeJP	NA	NA
+PJ007601	EERY 	C25H37N7O10	595.2602	NA	PeJP	NA	NA
+PJ007602	GSSSKM 	C22H41N7O10S	595.2636	NA	PeJP	NA	NA
+PJ007603	VEYW 	C30H37N5O8	595.2642	NA	PeJP	NA	NA
+PJ007604	SPVMY 	C27H41N5O8S	595.2676	NA	PeJP	NA	NA
+PJ007605	TTLMM 	C24H45N5O8S2	595.271	NA	PeJP	NA	NA
+PJ007606	GSNRY 	C24H37N9O9	595.2714	NA	PeJP	NA	NA
+PJ007607	GGGSRY 	C24H37N9O9	595.2715	NA	PeJP	NA	NA
+MJ084391	Anopterine; O11-Detigloyl, 11-(4-hydroxybenzoyl), 7?-hydroxy 	C33H41NO9	595.278131	NA	MeJP	NA	NA
+PJ007608	GNKMF 	C26H41N7O7S	595.2788	NA	PeJP	NA	NA
+PJ007609	GGGKMF 	C26H41N7O7S	595.2789	NA	PeJP	NA	NA
+MJ084392	Ergostine 	C34H37N5O5	595.279469	NA	MeJP	NA	NA
+MJ084393	Ergotamine; N1-Me 	C34H37N5O5	595.279469	NA	MeJP	NA	NA
+PJ007610	PFFW 	C34H37N5O5	595.2795	NA	PeJP	NA	NA
+PJ007611	SSSSTK 	C22H41N7O12	595.2813	NA	PeJP	NA	NA
+PJ007612	SCKKM 	C23H45N7O7S2	595.2822	NA	PeJP	NA	NA
+PJ007613	LMFW 	C31H41N5O5S	595.2829	NA	PeJP	NA	NA
+PJ007614	ATLEY 	C27H41N5O10	595.2854	NA	PeJP	NA	NA
+PJ007615	GVHHF 	C28H37N9O6	595.2867	NA	PeJP	NA	NA
+2625	synthetic fr,of human beta-CN (59-63) ACE inhibitor	YGFLP	595.288	NA	Inhouse_peptide	NA	peptide
+2866	NA	YGFLP	595.288	antibacterial	Inhouse_peptide	NA	peptide
+PJ007616	GTQKY 	C26H41N7O9	595.2966	NA	PeJP	NA	NA
+PJ007617	HHFR 	C27H37N11O5	595.2979	NA	PeJP	NA	NA
+MJ084394	Brevigellin 	C31H41N5O7	595.300598	NA	MeJP	NA	NA
+C15654	Kni 102	C31H41N5O7	595.3006	NA	KEGG	NA	NA
+PJ007618	GPLFY 	C31H41N5O7	595.3006	NA	PeJP	NA	NA
+PJ007619	GLLMY 	C28H45N5O7S	595.304	NA	PeJP	NA	NA
+PJ007620	SPQKH 	C25H41N9O8	595.3078	NA	PeJP	NA	NA
+HMDB00950	Tricosanamide	C41H41NO3	595.30865	http://www.hmdb.ca/metabolites/HMDB00950	HMDB	NA	NA
+HMDB00950	Tricosanamide	C41H41NO3	595.30865	HMDB00950	PFEM_hmdb_metabocards_official	NA	NA
+MJ084395	Chymostatin; Chymostatin B, 1'-Alcohol 	C30H41N7O6	595.311832	NA	MeJP	NA	NA
+MJ084396	SP-Chymostatin B 	C30H41N7O6	595.311832	NA	MeJP	NA	NA
+PJ007621	PPVHF 	C30H41N7O6	595.3119	NA	PeJP	NA	NA
+MJ084397	Antibiotic WF 1360D 	C34H45NO8	595.314517	NA	MeJP	NA	NA
+MJ084398	Rhizoxin; 2,3-Deepoxy, 2,3-didehydro, O-de-Me 	C34H45NO8	595.314517	NA	MeJP	NA	NA
+3409	ACE inhibitor	LLNPPHQIYP	595.31495	MH2+	Inhouse_peptide	NA	peptide
+PJ007622	ACKKF 	C27H45N7O6S	595.3152	NA	PeJP	NA	NA
+PJ007623	GVQHR 	C24H41N11O7	595.3191	NA	PeJP	NA	NA
+PJ007624	STLLY 	C28H45N5O9	595.3217	NA	PeJP	NA	NA
+PJ007625	QHRR 	C23H41N13O6	595.3303	NA	PeJP	NA	NA
+PJ007626	GTKKY 	C27H45N7O8	595.333	NA	PeJP	NA	NA
+PJ007627	GLLFF 	C32H45N5O6	595.337	NA	PeJP	NA	NA
+MJ084399	Hexakis(tert-butyl isocyanide)technetium(1+) 	C30H54N6Tc(+)	595.340386	NA	MeJP	NA	NA
+PJ007628	PPVQR 	C26H45N9O7	595.3442	NA	PeJP	NA	NA
+CJneg0648	L-urobilin [(M-H)]- (13C)	C3213CH45N4O6	595.345625	C18rt(min)=9.33 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0648	L-urobilin [(M-H)]- (13C)	C3213CH45N4O6	595.345625	C18rt(min)=9.33 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ084400	Kahalalide D 	C31H45N7O5	595.348217	NA	MeJP	NA	NA
+PJ007629	APPRR 	C25H45N11O6	595.3555	NA	PeJP	NA	NA
+MJ084401	Destruxin C; Destruxin C, N3-De-Me 	C29H49N5O8	595.358113	NA	MeJP	NA	NA
+MJ084402	Destruxin C; Destruxin C2 	C29H49N5O8	595.358113	NA	MeJP	NA	NA
+MJ084403	Destruxin F 	C29H49N5O8	595.358113	NA	MeJP	NA	NA
+PJ007630	KHRR 	C24H45N13O5	595.3667	NA	PeJP	NA	NA
+PJ007631	TLLLH 	C28H49N7O7	595.3694	NA	PeJP	NA	NA
+PJ007632	PPVKR 	C27H49N9O6	595.3806	NA	PeJP	NA	NA
+EUR752	Lyso PC 20:1 [M+FA-H]-	C28H56NO7P	595.384322	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR752	Lyso PC 20:1 [M+FA-H]-	C28H56NO7P	595.384322	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR752	Lyso PC 20:1 [M+FA-H]-	C28H56NO7P	595.384322	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR752	Lyso PC 20:1 [M+FA-H]-	C28H56NO7P	595.384322	masses lipides attendues	Inhousejuil11	NA	NA
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR600	LysoPC(20:1)	[M+FA-H]-	595.384325	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR898	Lyso PE 22:1 [M-H+acetate]-	C27H54NO7P	595.384892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR898	Lyso PE 22:1 [M-H+acetate]-	C27H54NO7P	595.384892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR898	Lyso PE 22:1 [M-H+acetate]-	C27H54NO7P	595.384892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR898	Lyso PE 22:1 [M-H+acetate]-	C27H54NO7P	595.384892	masses lipides attendues	Inhousejuil11	NA	NA
+MJ084404	Isariin B 	C30H53N5O7	595.394499	NA	MeJP	NA	NA
+MJ084405	Jurubine 	C33H57NO8	595.408417	NA	MeJP	NA	NA
+MJ084406	Stevastelin C3; 13-Deoxy, 12,13-didehydro 	C32H57N3O7	595.419651	NA	MeJP	NA	NA
+MJ084407	Myxovirescin A; Myxovirescin A1, 13-De-Et, 13-Me, 4-epimer, 9-deoxo 	C34H61NO7	595.444803	NA	MeJP	NA	NA
+MJ084408	Myxovirescin A; Myxovirescin A1, 13-De-Et, 13-Me, 9-deoxo 	C34H61NO7	595.444803	NA	MeJP	NA	NA
+MJ084409	2-[[[(2,2-Dimethylpropyl)nonyl]amino]carbonylamino]cyclohexyl N-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonyl]-?-alaninate 	C33H61N3O6	595.456036	NA	MeJP	NA	NA
+HMDB11764	Cer(d18:0/20:0)	C38H77NO3	595.590332	NA	HMDB2010	NA	NA
+C15641	XCT 790	C23H13F9N4O3S	596.0565	NA	KEGG	NA	NA
+C11600	IACI	C26H27IN6O3	596.1191	NA	KEGG	NA	NA
+MJ084410	3''',4',4''',5,5'',7,7''-Heptahydroxy-3,6''-biflavone; 3''',4',5-Tri-Me ether 	C33H24O11	596.131861	NA	MeJP	NA	NA
+MJ084411	3''',4',4''',5,5'',7,7''-Heptahydroxy-3,6''-biflavone; 3''',4',7-Tri-Me ether 	C33H24O11	596.131861	NA	MeJP	NA	NA
+MJ084412	3-(3,4-Dihydroxyphenyl)-9-hydroxy-6-(4-hydroxyphenyl)-2-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 2'',3''',4'-Tri-Me ether 	C33H24O11	596.131861	NA	MeJP	NA	NA
+MJ084413	3-(3,4-Dihydroxyphenyl)-9-hydroxy-6-(4-hydroxyphenyl)-2-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 2'',4',4'''-Tri-Me ether 	C33H24O11	596.131861	NA	MeJP	NA	NA
+MJ084414	3-(3,4-Dihydroxyphenyl)-9-hydroxy-6-(4-hydroxyphenyl)-2-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 3'''-Deoxy, 2'',4'''-di-Me ether, 3'-methoxy 	C33H24O11	596.131861	NA	MeJP	NA	NA
+MJ084415	6-(3,4-Dihydroxyphenyl)-9-hydroxy-2-(4-hydroxyphenyl)-3-(2,4,6-trihydroxybenzoyl)-8H-furo[2,3-g][1]benzopyran-8-one; 2'',3',4'''-Tri-Me ether 	C33H24O11	596.131861	NA	MeJP	NA	NA
+C12637	Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]	C26H28O16	596.1377	NA	KEGG	NA	NA
+FL3FAGCS0003	Tricetin 6-C-glucoside-8-C-arabinoside	C26H28O16	596.13773	71815-37-7	knapsack	NA	NA
+FL3FAGCS0004	Tricetin 6-C-arabinoside-8-C-glucoside	C26H28O16	596.13773	86022-78-8	knapsack	NA	NA
+FL3FALGS0004	Isoetin 7-glucoside-2'-xyloside	C26H28O16	596.13773	134981-97-8	knapsack	NA	NA
+FL3FECGS0034	6-Hydroxyluteolin 7-sambubioside	C26H28O16	596.13773	150565-99-4	knapsack	NA	NA
+FL3FECGS0044	6-Hydroxyluteolin 7-xylosyl-(1->6)-glucoside;2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C26H28O16	596.13773	340757-50-8	knapsack	NA	NA
+FL5FACGA0002	Quercetin 3-apiosyl-(1->2)-galactoside	C26H28O16	596.13773	99816-58-7	knapsack	NA	NA
+FL5FACGA0003	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-galactoside	C26H28O16	596.13773	13241-30-0	knapsack	NA	NA
+FL5FACGA0004	Quercetin 3-lathyroside	C26H28O16	596.13773	83144-69-8	knapsack	NA	NA
+FL5FACGA0012	Quercetin 3-galactoside-7-xyloside	C26H28O16	596.13773	-	knapsack	NA	NA
+FL5FACGL0002	Quercetin 3-apiosyl-(1->2)-glucoside	C26H28O16	596.13773	99882-09-4	knapsack	NA	NA
+FL5FACGL0003	Quercetin 3-alpha-arabinopyranosyl-(1->2)-glucoside	C26H28O16	596.13773	161404-86-0	knapsack	NA	NA
+FL5FACGL0004	Quercetin 3-vicianoside	C26H28O16	596.13773	23284-18-6	knapsack	NA	NA
+FL5FACGL0005	Quercetin 3-sambubioside	C26H28O16	596.13773	83048-35-5	knapsack	NA	NA
+FL5FACGL0006	Quercetin 3-xylosyl-(1->6)-glucoside	C26H28O16	596.13773	142905-18-8	knapsack	NA	NA
+FL5FACGL0014	Quercetin 3-glucoside-7-alpha-L-arabionopyranoside	C26H28O16	596.13773	71539-81-6	knapsack	NA	NA
+FL5FACGS0024	Quercetin 3-glucosyl-(1->2)-xyloside	C26H28O16	596.13773	159030-04-3	knapsack	NA	NA
+FL5FACGS0030	Quercetin 3-alpha-L-arabionopyranoside-7-glucoside	C26H28O16	596.13773	28452-84-8	knapsack	NA	NA
+FL5FACGS0031	Quercetin 3-xyloside-7-glucoside	C26H28O16	596.13773	35972-56-1	knapsack	NA	NA
+FL5FACGS0066	Quercetin 3-alpha-L-arabinofuranosyl-(1->2)-glucoside	C26H28O16	596.13773	-	knapsack	NA	NA
+FL5FAGGS0009	Myricetin 3-xylosyl-(1->2)-rhamnoside	C26H28O16	596.13773	130866-56-7	knapsack	NA	NA
+FL5FAGGS0021	Myricetin 3-xylosyl-(1->3)-rhamnoside;3-[(6-Deoxy-3-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C26H28O16	596.13773	481070-37-5	knapsack	NA	NA
+FL5FFAGL0002	Herbacetin 3-glucoside-8-xyloside	C26H28O16	596.13773	94696-37-4	knapsack	NA	NA
+MJ084416	2',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside, 2'-O-?-D-xylopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084417	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084418	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084419	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084420	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-arabinoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084421	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084422	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084423	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1??)-galactofuranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084424	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-galactopyranoside] 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084425	3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucopyranoside, 8-?-D-xylopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084426	6-Arabinopyranosyl-8-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084427	8-Arabinopyranosyl-6-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084428	Hyperin; 2''-O-?-D-Apiofuranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084429	Hyperin; 2''-O-?-D-Xylopyranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084430	Hyperin; 6''-O-?-L-Arabinopyranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084431	Hyperin; 7-O-?-D-Xylopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084432	Isoquercitrin; 2''-O-?-D-Apiofuranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084433	Isoquercitrin; 2''-O-?-D-Xylopyranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084434	Isoquercitrin; 6''-O-?-D-Xylopyranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084435	Isoquercitrin; 6''-O-?-L-Arabinopyranosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084436	Isoquercitrin; 7-O-D-Xyloside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084437	Isoquercitrin; 7-O-?-L-Arabinopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084438	Isoquercitrin; O''-Xylosyl 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084439	Quercimeritrin; 3-O-?-L-Arabinofuranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084440	Quercimeritrin; 3-O-?-D-Xylopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084441	Quercimeritrin; 3-O-?-L-Arabinopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084442	Quercimeritrin; 6''-O-?-L-Arabinopyranoside 	C26H28O16	596.137734	NA	MeJP	NA	NA
+MJ084443	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C26H29O16(+)	596.137734	NA	MeJP	NA	NA
+MJ084444	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C26H29O16(+)	596.137734	NA	MeJP	NA	NA
+MJ084445	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1??)-?-D-glucopyranoside] 	C26H29O16(+)	596.137734	NA	MeJP	NA	NA
+MJ084446	3,3',4',5,5',7-Hexahydroxyflavylium(1+); Glycoside 	C26H29O16(+)	596.137734	NA	MeJP	NA	NA
+PJ007633	GPCCCD 	C20H32N6O9S3	596.1393	NA	PeJP	NA	NA
+MJ084447	Aloin, 5-Hydroxy, 6'-O-(3,4-dihydroxycinnamoyl)(E-) 	C30H28O13	596.15299	NA	MeJP	NA	NA
+FL1C3CGS0004	Okanin 4'-(6''-p-coumarylglucoside)	C30H28O13	596.15299	115070-75-2	knapsack	NA	NA
+FL2FACGS0017	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)	C30H28O13	596.15299	467437-59-8	knapsack	NA	NA
+FL2FACGS0018	(2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside)	C30H28O13	596.15299	522623-06-9	knapsack	NA	NA
+PJ007634	CNDDM 	C20H32N6O11S2	596.1571	NA	PeJP	NA	NA
+MJ084448	6-Chloro-2,8-epoxy-3,9,11,12-tetrahydroxy-5(16),13-briaradien-18,7-olide; 12-Ketone, 9-(acetoxyacetyl) 3,11-di-Ac 	C28H33ClO12	596.166054	NA	MeJP	NA	NA
+MJ084449	Carbonarin A; 5'-Deoxy, 3''-methoxy 	C34H28O10	596.168247	NA	MeJP	NA	NA
+MJ084450	Santalin A; 3''-Me ether 	C34H28O10	596.168247	NA	MeJP	NA	NA
+MJ084451	Santalin A; Me ether (?) 	C34H28O10	596.168247	NA	MeJP	NA	NA
+MJ084452	Santarubin B 	C34H28O10	596.168247	NA	MeJP	NA	NA
+PJ007635	GSCCNN 	C19H32N8O10S2	596.1683	NA	PeJP	NA	NA
+PJ007636	GCCEW 	C24H32N6O8S2	596.1723	NA	PeJP	NA	NA
+C08649	Isobutrin	C27H32O15	596.1741	NA	KEGG	NA	NA
+C09616	Butrin	C27H32O15	596.1741	NA	KEGG	NA	NA
+C09732	Eriocitrin	C27H32O15	596.1741	NA	KEGG	NA	NA
+C09805	Neoeriocitrin	C27H32O15	596.1741	NA	KEGG	NA	NA
+MJ084453	1,2,3,4-Tetrahydroxyxanthone; 2,3,4-Tri-Me ether, 1-O-[?-D-xylofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084454	1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-[?-D-xylofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084455	1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084456	1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084457	1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084458	1,2,6,8-Tetrahydroxyxanthone; 1,2,6-Tri-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084459	1,3,4,5-Tetrahydroxyxanthone; 3,4,5-Tri-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084460	1,3,6,8-Tetrahydroxyxanthone; 3,6,8-Tri-Me ether, 1-O-primeveroside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084461	10-Hydroxyoleoside, 10-(4-Hydroxy-3-methoxycinnamoyl)(E-), 7-Me ester 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084462	10-Hydroxyoleoside, 10-(4-Hydroxy-3-methoxycinnamoyl)(Z-), 7-Me ester 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084463	2',3,3',4,4'-Pentahydroxychalcone, 4-Me ether, 4'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084464	2',3,4,4'-Tetrahydroxychalcone; 2',3-Di-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084465	2',3,4,4'-Tetrahydroxychalcone; 3,4'-Di-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084466	2',3,4,4'-Tetrahydroxychalcone; 4'-O-(Glucosylglucoside) 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084467	2',4,4',6'-Tetrahydroxychalcone; 2',4'-Di-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084468	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 4'-O-?-D-apiofuranoside, 7-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084469	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084470	3',4',5,7-Tetrahydroxyflavanone, 5-Me ether, 7-O-[xylosyl-(1??)-arabinoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084471	3',4',5,7-Tetrahydroxyflavanone, 5-Me ether, 7-O-[xylosyl-(1??)-galactoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084472	3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084473	3',4',5,7-Tetrahydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084474	3',4',7-Trihydroxyflavanone, 3',7-Di-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084475	3,3',4',5,7-Pentahydroxyflavanone, 3,5-Di-O-?-L-rhamnopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084476	3,3',4',5,7-Pentahydroxyflavanone, 3,7-Di-O-?-L-rhamnopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084477	3,4',5,7-Tetrahydroxyflavanone, 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084478	3,4',5,7-Tetrahydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084479	3,5,7-Trihydroxyflavanone, 5-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084480	4',5,7-Trihydroxyflavanone, 5,7-Di-O-?-D-glucopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084481	4',5,7-Trihydroxyflavanone, 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084482	4',5,7-Trihydroxyflavanone, 7-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084483	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084484	5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084485	6,8-Diglucopyranosyl-4',5,7-trihydroxyflavanone 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084486	Alphitonin; 3'-Deoxy, 4-O-?-D-glucopyranoside, 4'-O-?-L-rhamnopyranoside 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084487	Asperxanthone; 10-O-De-Me, 10-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MJ084488	Toralactone; 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O15	596.17412	NA	MeJP	NA	NA
+MetaCyc03946	flavonol-3-O-L-rhamnosylglucoside []	C27H32O15	596.17412	NA	metacyc	NA	NA
+FL1BAAGS0003	Hovetrichoside D;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-glucoside 4'-rhamnoside;Maesopsin 4-glucoside 4'-rhamnoside	C27H32O15	596.17412	210050-29-6	knapsack	NA	NA
+FL1C1AGS0001	Isobutrin	C27H32O15	596.17412	536-01-6	knapsack	NA	NA
+FL1C1CGS0002	Butein 3,2'-diglucoside	C27H32O15	596.17412	-	knapsack	NA	NA
+FL1C3CGS0017	Okanin 4-methyl ether 4'-primveroside	C27H32O15	596.17412	146257-94-5	knapsack	NA	NA
+FL1CAAGS0008	Chalconaringenin 2',4'-di-O-glucoside;4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside	C27H32O15	596.17412	6198-23-8	knapsack	NA	NA
+FL2F1CGS0001	Butrin	C27H32O15	596.17412	492-13-7	knapsack	NA	NA
+FL2FA8GS0002	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside	C27H32O15	596.17412	-	knapsack	NA	NA
+FL2FAACS0003	6,8-Di-C-glucopyranosylnaringenin	C27H32O15	596.17412	81426-09-7	knapsack	NA	NA
+FL2FAAGS0014	Naringenin 5,7-di-O-glucoside	C27H32O15	596.17412	5180-65-4	knapsack	NA	NA
+FL2FAAGS0016	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside	C27H32O15	596.17412	81244-23-7	knapsack	NA	NA
+FL2FACGS0001	Neoeriocitrin	C27H32O15	596.17412	13241-32-2	knapsack	NA	NA
+FL2FACGS0008	Eriocitrin	C27H32O15	596.17412	13463-28-0	knapsack	NA	NA
+FL2FADGS0001	Viscumneoside III	C27H32O15	596.17412	118985-27-6	knapsack	NA	NA
+FL2FCDGS0001	Viscumneoside I	C27H32O15	596.17412	108886-01-7	knapsack	NA	NA
+FL4DA9GS0001	Pinobanksin 5-galactosyl-(1->4)-glucoside	C27H32O15	596.17412	91925-95-0	knapsack	NA	NA
+FL4DAAGS0010	Aromadendrin 3-rhamnoside-5-glucoside	C27H32O15	596.17412	135545-93-6	knapsack	NA	NA
+FL4DAAGS0011	Aromadendrin 7-rhamnosyl-(1->4)-galactoside	C27H32O15	596.17412	151749-25-6	knapsack	NA	NA
+FL4DACGS0025	Taxifolin 3,5-dirhamnoside	C27H32O15	596.17412	74545-40-7	knapsack	NA	NA
+FL4DACGS0031	Taxifolin 3,7-dirhamnoside	C27H32O15	596.17412	185145-43-1	knapsack	NA	NA
+HMDB05811	Eriocitrin	C27H32O15	596.17413	http://www.hmdb.ca/metabolites/HMDB05811	HMDB	NA	NA
+HMDB05811	Eriocitrin	C27H32O15	596.17413	HMDB05811	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05811	Eriocitrin	C27H32O15	596.174133	NA	HMDB2010	NA	NA
+PJ007637	GSSCDE 	C20H32N6O13S	596.1748	NA	PeJP	NA	NA
+PJ007638	GSPCCM 	C21H36N6O8S3	596.1757	NA	PeJP	NA	NA
+PJ007639	CCWW 	C28H32N6O5S2	596.1876	NA	PeJP	NA	NA
+MJ084489	Fridamycin D 	C31H32O12	596.189376	NA	MeJP	NA	NA
+MJ084490	Saquayamycin A; 3-O-Deglycosyl 	C31H32O12	596.189376	NA	MeJP	NA	NA
+MJ084491	Saquayamycin B; 3-O-Deglycosyl 	C31H32O12	596.189376	NA	MeJP	NA	NA
+PJ007640	SSCDW 	C24H32N6O10S	596.1901	NA	PeJP	NA	NA
+PJ007641	SSSSDD 	C20H32N6O15	596.1926	NA	PeJP	NA	NA
+PJ007642	SNDMM 	C21H36N6O10S2	596.1935	NA	PeJP	NA	NA
+MJ084492	AH13; 7-Methoxy 	C35H32O9	596.204632	NA	MeJP	NA	NA
+PJ007643	SCCER 	C20H36N8O9S2	596.2047	NA	PeJP	NA	NA
+PJ007644	GNDEY 	C24H32N6O12	596.2078	NA	PeJP	NA	NA
+MJ084493	Nikkomycin Qx 	C24H32N6O12	596.20782	NA	MeJP	NA	NA
+MJ084494	Nikkomycin Qz 	C24H32N6O12	596.20782	NA	MeJP	NA	NA
+PJ007645	GGGDEY 	C24H32N6O12	596.2079	NA	PeJP	NA	NA
+PJ007646	GTCMW 	C25H36N6O7S2	596.2087	NA	PeJP	NA	NA
+MJ084495	8-Hydroxysyringaresinol; 8-O-?-D-Glucopyranoside 	C28H36O14	596.210505	NA	MeJP	NA	NA
+MJ084496	Ciwujiatone; 4-O-?-D-Glucopyranoside 	C28H36O14	596.210505	NA	MeJP	NA	NA
+PJ007647	GSSSEM 	C21H36N6O12S	596.2112	NA	PeJP	NA	NA
+PJ007648	GQMMM 	C22H40N6O7S3	596.2121	NA	PeJP	NA	NA
+PJ007649	SCNHH 	C22H32N10O8S	596.2126	NA	PeJP	NA	NA
+MJ084497	Cannabisin B 	C34H32N2O8	596.215866	NA	MeJP	NA	NA
+PJ007650	PNDDH 	C23H32N8O11	596.2191	NA	PeJP	NA	NA
+PJ007651	NDYW 	C28H32N6O9	596.2231	NA	PeJP	NA	NA
+PJ007652	GCMMR 	C21H40N8O6S3	596.2233	NA	PeJP	NA	NA
+MJ084498	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C32H36O11	596.225761	NA	MeJP	NA	NA
+MJ084499	Cardinalin 11; 5-Ketone 	C32H36O11	596.225761	NA	MeJP	NA	NA
+MJ084500	Deacylkadsulignan C; 7,7'-Diangeloyl 	C32H36O11	596.225761	NA	MeJP	NA	NA
+MJ084501	Deacylkadsulignan E; 7,7'-Diangeloyl 	C32H36O11	596.225761	NA	MeJP	NA	NA
+MJ084502	Hirtin 	C32H36O11	596.225761	NA	MeJP	NA	NA
+PJ007653	SSSMW 	C25H36N6O9S	596.2265	NA	PeJP	NA	NA
+PJ007654	SSSSTE 	C21H36N6O14	596.229	NA	PeJP	NA	NA
+PJ007655	STQMM 	C22H40N6O9S2	596.2298	NA	PeJP	NA	NA
+MJ084503	Renieramycin A; 1?-Hydroxy, Me ether 	C31H36N2O10	596.236995	NA	MeJP	NA	NA
+PJ007656	GCDFR 	C24H36N8O8S	596.2377	NA	PeJP	NA	NA
+MJ084504	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 13?,14?-Epoxide, 2,12-dibutanoyl, 9-Ac 	C30H41ClO10	596.238825	NA	MeJP	NA	NA
+MJ084505	Dependensin 	C36H36O8	596.241018	NA	MeJP	NA	NA
+MJ084506	Magnolignan G 	C36H36O8	596.241018	NA	MeJP	NA	NA
+MJ084507	?-Diceroptene 	C36H36O8	596.241018	NA	MeJP	NA	NA
+PJ007657	STCMR 	C21H40N8O8S2	596.2411	NA	PeJP	NA	NA
+HMDB05775	Tetragastrin	C29H36N6O6S	596.241699	NA	HMDB2010	NA	NA
+HMDB05775	Tetragastrin	C29H36N6O6S	596.2417	http://www.hmdb.ca/metabolites/HMDB05775	HMDB	NA	NA
+PJ007658	NMFW 	C29H36N6O6S	596.2417	NA	PeJP	NA	NA
+HMDB05775	Tetragastrin	C29H36N6O6S	596.2417	HMDB05775	PFEM_hmdb_metabocards_official	NA	NA
+MJ084508	Tetragastrin 	C29H36N6O6S	596.241703	NA	MeJP	NA	NA
+MJ084509	Tryptophanylmethionylaspartylphenylalanine amide 	C29H36N6O6S	596.241703	NA	MeJP	NA	NA
+PJ007659	GTQEY 	C25H36N6O11	596.2442	NA	PeJP	NA	NA
+PJ007660	PCCKF 	C26H40N6O6S2	596.2451	NA	PeJP	NA	NA
+PJ007661	GSTTTM 	C22H40N6O11S	596.2476	NA	PeJP	NA	NA
+PJ007662	GKMMM 	C23H44N6O6S3	596.2485	NA	PeJP	NA	NA
+PJ007663	GSDRY 	C24H36N8O10	596.2555	NA	PeJP	NA	NA
+PJ007664	TQYW 	C29H36N6O8	596.2595	NA	PeJP	NA	NA
+MJ084510	17,18-Epoxy-1(19),6,10(17),13-xenicatetraene-8,9,11,12,18-pentol; 12-Benzoyl, 8,11,18-tri-Ac 	C33H40O10	596.262147	NA	MeJP	NA	NA
+MJ084511	18,19-Epoxy-3,12,14-clerodatriene-2,6,18,19-tetrol, 6-(4-Hydroxybenzoyl), 2,18,19-tri-Ac 	C33H40O10	596.262147	NA	MeJP	NA	NA
+MJ084512	Ingol; 2-Epimer, 7-benzoyl, 3,8,12-tri-Ac 	C33H40O10	596.262147	NA	MeJP	NA	NA
+MJ084513	Ingol; 2-Epimer, 8-benzoyl, 3,7,12-tri-Ac 	C33H40O10	596.262147	NA	MeJP	NA	NA
+MJ084514	Ingol; 8-Benzoyl, 3,7,12-tri-Ac 	C33H40O10	596.262147	NA	MeJP	NA	NA
+PJ007665	ACLQY 	C26H40N6O8S	596.2628	NA	PeJP	NA	NA
+PJ007666	GVQMY 	C26H40N6O8S	596.2629	NA	PeJP	NA	NA
+PJ007667	SSTTTT 	C22H40N6O13	596.2653	NA	PeJP	NA	NA
+PJ007668	STKMM 	C23H44N6O8S2	596.2662	NA	PeJP	NA	NA
+PJ007669	GQQQH 	C23H36N10O9	596.2667	NA	PeJP	NA	NA
+MJ084515	Cholestane-2,3,21,26-tetrol, 3,21-Disulfate 	C27H48O10S2	596.268889	NA	MeJP	NA	NA
+MJ084516	Cholestane-3,4,11,21-tetrol, 3,21-Disulfate 	C27H48O10S2	596.268889	NA	MeJP	NA	NA
+PJ007670	GPTHW 	C28H36N8O7	596.2707	NA	PeJP	NA	NA
+PJ007671	QMRY 	C25H40N8O7S	596.2741	NA	PeJP	NA	NA
+PJ007672	HFFF 	C33H36N6O5	596.2747	NA	PeJP	NA	NA
+PJ007673	GNNHR 	C22H36N12O8	596.2779	NA	PeJP	NA	NA
+PJ007674	GGGGGHR 	C22H36N12O8	596.278	NA	PeJP	NA	NA
+7672	ACE inhibitor from b-CN (49-59), mouse	SSIQSQPQAFT	596.279	MH2+	Inhouse_peptide	NA	peptide
+PJ007675	GTKEY 	C26H40N6O10	596.2806	NA	PeJP	NA	NA
+MJ084517	11-Taxene-2,5,7,9,10,13,20-heptol, 5,7,9,10,13-Penta-Ac 	C30H44O12	596.283276	NA	MeJP	NA	NA
+MJ084518	Sarmentosigenin A acid; 3-O-?-L-Rhamnoside, Me ester 	C30H44O12	596.283276	NA	MeJP	NA	NA
+MJ084519	Sarmentosigenin A acid; 3-O-?-L-Talomethyloside, Me ester 	C30H44O12	596.283276	NA	MeJP	NA	NA
+PJ007676	CRRY 	C24H40N10O6S	596.2853	NA	PeJP	NA	NA
+C05177	Berbamunine	C36H40N2O6	596.2886	NA	KEGG	NA	NA
+C06511	Guattegaumerine	C36H40N2O6	596.2886	NA	KEGG	NA	NA
+C06515	Magnoline	C36H40N2O6	596.2886	NA	KEGG	NA	NA
+MJ084520	Berbamunine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084521	Guattegaumerine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084522	Berbamunine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084523	Daurisoline; N2'-De-Me 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084524	Daurisoline; O6,O6''-Di-O-de-Me, O7-Me 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084525	Espinine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084526	Lindoldhamine; N,N'-Di-Me 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084527	Neosutchuenenine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084528	Pipercyclobutanamide B 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084529	Pisopowiaridine; 2'-N-De-Me 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084530	Sutchueneneonine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MJ084531	Sutchuenenine 	C36H40N2O6	596.288637	NA	MeJP	NA	NA
+MetaCyc03947	berbamunine [(1S)-1,2,3,4-tetrahydro-1-[ [4-[2-hydroxy-5-[ [ (1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl ]methyl ]phenoxy ]phenyl ]methyl ]-6-methoxy-2-methyl-7-isoquinolinol;]	C36H40N2O6	596.288637	485-18-7	metacyc	NA	NA
+PJ007677	GTTRY 	C25H40N8O9	596.2918	NA	PeJP	NA	NA
+PJ007678	SPKEH 	C25H40N8O9	596.2919	NA	PeJP	NA	NA
+PJ007679	TKYW 	C30H40N6O7	596.2959	NA	PeJP	NA	NA
+MJ084532	Lysofungin 	C27H49O12P	596.296163	NA	MeJP	NA	NA
+C08780	Salannin	C34H44O9	596.2985	NA	KEGG	NA	NA
+MJ084533	Neobonaspectin A; Deacetoxy 	C34H44O9	596.298533	NA	MeJP	NA	NA
+MJ084534	Salannic acid; 1-O-Tigloyl, 3-Ac, Me ester 	C34H44O9	596.298533	NA	MeJP	NA	NA
+PJ007680	GVKMY 	C27H44N6O7S	596.2992	NA	PeJP	NA	NA
+PJ007681	GPPPVM 	C27H44N6O7S	596.2993	NA	PeJP	NA	NA
+PJ007682	GVEHR 	C24H40N10O8	596.3031	NA	PeJP	NA	NA
+PJ007683	AALHW 	C29H40N8O6	596.3071	NA	PeJP	NA	NA
+PJ007684	KMRY 	C26H44N8O6S	596.3105	NA	PeJP	NA	NA
+PJ007685	EHRR 	C23H40N12O7	596.3143	NA	PeJP	NA	NA
+PJ007686	SSLKY 	C27H44N6O9	596.317	NA	PeJP	NA	NA
+PJ007687	VHRW 	C28H40N10O5	596.3183	NA	PeJP	NA	NA
+MJ084535	15,16-Epoxy-8,13(16),14-labdatrien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C31H48O11	596.319662	NA	MeJP	NA	NA
+3483	ACE inhibitors derived from yeast GADPH	GKKIATYQER	596.3205	MH2+	Inhouse_peptide	NA	peptide
+PJ007688	PPVER 	C26H44N8O8	596.3282	NA	PeJP	NA	NA
+PJ007689	GGAAPPK 	C26H44N8O8	596.3283	NA	PeJP	NA	NA
+PJ007690	PPVVW 	C31H44N6O6	596.3323	NA	PeJP	NA	NA
+3503	ACE inhibitor (bCN fr,80-90)	TPVVVPPFLQP	596.33445	MH2+	Inhouse_peptide	NA	peptide
+MJ084536	7-Labdene-2,15-diol, 2-Ac, 15-O-(3,4-diacetoxycinnamoyl) 	C35H48O8	596.334918	NA	MeJP	NA	NA
+MJ084537	4,4-Dimethylergosta-8,24(28)-diene-2,3,11,12-tetrol, 12-Ac, 3-sulfate 	C32H52O8S	596.338289	NA	MeJP	NA	NA
+PJ007691	ATLHR 	C25H44N10O7	596.3395	NA	PeJP	NA	NA
+MJ084538	Bdelloura candida Neuropeptide 2 	C30H44N8O5	596.343466	NA	MeJP	NA	NA
+PJ007692	KFFR 	C30H44N8O5	596.3435	NA	PeJP	NA	NA
+MJ084539	Talatizamine; O18-De-Me, O8-Et, 18-O-(2-acetamidobenzoyl) 	C34H48N2O7	596.346151	NA	MeJP	NA	NA
+MJ084540	Trienomycin; Trienomycin B 	C34H48N2O7	596.346151	NA	MeJP	NA	NA
+MJ084541	Trienomycin; Trienomycin C 	C34H48N2O7	596.346151	NA	MeJP	NA	NA
+C09144	C-Curarine	C40H44N4O	596.3515	NA	KEGG	NA	NA
+PJ007693	GPPTLL 	C28H48N6O8	596.3534	NA	PeJP	NA	NA
+MJ084542	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-Methyl-2-(pentaprenylmethyl)-2H-1-benzopyran-6-ol, Sulfate 	C36H52O5S	596.353545	NA	MeJP	NA	NA
+MJ084543	2,3,14,20,22-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Xylopyranoside 	C32H52O10	596.356047	NA	MeJP	NA	NA
+MJ084544	Fusicoccin D 	C32H52O10	596.356047	NA	MeJP	NA	NA
+MJ084545	Norchainin 	C32H52O10	596.356047	NA	MeJP	NA	NA
+MJ084546	Spirostane-1,2,3,4-tetrol, 1-O-?-L-Arabinopyranoside 	C32H52O10	596.356047	NA	MeJP	NA	NA
+MJ084547	Spirostane-1,3,4,5-tetrol, 5-O-?-L-Arabinopyranoside 	C32H52O10	596.356047	NA	MeJP	NA	NA
+CJpos0825	L-urobilinogen [(M+H)]+	C33H49N4O6	596.356875	C18rt(min)=9.4 Pos putatively identified a,b	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+CJpos0825	L-urobilinogen [(M+H)]+	C33H49N4O6	596.356875	C18rt(min)=9.4 Pos putatively identified a,b	base_CJunot_PubAnalChem2012_POS	positive	NA
+HMDB04157	L-Urobilinogen	C33H48N4O6	596.35736	http://www.hmdb.ca/metabolites/HMDB04157	HMDB	NA	NA
+HMDB04157	L-Urobilinogen	C33H48N4O6	596.35736	HMDB04157	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04157	L-Urobilinogen	C33H48N4O6	596.357361	NA	HMDB2010	NA	NA
+C05789	L-Urobilinogen	C33H48N4O6	596.3574	NA	KEGG	NA	NA
+CJneg0649	L-urobilinogen [(M-H)]-	C33H47N4O6	596.357925	C18rt(min)=9.4 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0649	L-urobilinogen [(M-H)]-	C33H47N4O6	596.357925	C18rt(min)=9.4 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ007694	SLLKH 	C27H48N8O7	596.3646	NA	PeJP	NA	NA
+HMDB01477	L-Phosphatidic acid	C29H57O10P	596.36896	http://www.hmdb.ca/metabolites/HMDB01477	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01477	L-Phosphatidic acid	C29H57O10P	596.36896	http://www.hmdb.ca/metabolites/HMDB01477	HMDB	NA	NA
+HMDB01477	L-Phosphatidic acid	C29H57O10P	596.36896	http://www.hmdb.ca/metabolites/HMDB01477	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01477	L-Phosphatidic acid	C29H57O10P	596.36896	HMDB01477	PFEM_hmdb_metabocards_official	NA	NA
+MJ084548	Deacylantibiotic NF 00659 A; 3-(6-Methyl-2,4-octadienoyl)(E,E) 	C36H52O7	596.371304	NA	MeJP	NA	NA
+PJ007695	GKKKH 	C26H48N10O6	596.3759	NA	PeJP	NA	NA
+MJ084549	Fusarochromanone; 3'-N-Ac, 4'-O-(10,12-octadecadienoyl) 	C35H52N2O6	596.382537	NA	MeJP	NA	NA
+HMDB02204	Astaxanthin	C40H52O4	596.386536	NA	HMDB2010	NA	NA
+HMDB02204	Astaxanthin	C40H52O4	596.38654	http://www.hmdb.ca/metabolites/HMDB02204	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02204	Astaxanthin	C40H52O4	596.38654	http://www.hmdb.ca/metabolites/HMDB02204	HMDB	NA	NA
+HMDB02204	Astaxanthin	C40H52O4	596.38654	http://www.hmdb.ca/metabolites/HMDB02204	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02204	Astaxanthin	C40H52O4	596.38654	HMDB02204	PFEM_hmdb_metabocards_official	NA	NA
+MJ084550	2,3-Dihydroxy-?,?-carotene-4,4'-dione 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084551	7',8'-Didehydro-3,3',4'-trihydroxy-?,?-caroten-4-one 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084552	Amarouciaxanthin B 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084553	Astaxanthin 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084554	Capsorubin; Diketone 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084555	Mytiloxanthin; 3'-Ketone 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084556	Phillipsiaxanthin 	C40H52O4	596.38656	NA	MeJP	NA	NA
+MJ084557	Uriolide; 3'-Deoxy, 3',4'-didehydro 	C40H52O4	596.38656	NA	MeJP	NA	NA
+C08580	Astaxanthin	C40H52O4	596.3866	NA	KEGG	NA	NA
+PJ007696	AAPLLL 	C29H52N6O7	596.3898	NA	PeJP	NA	NA
+MJ084558	Furostane-3,22,26-triol, 26-O-?-D-Glucopyranoside 	C33H56O9	596.392433	NA	MeJP	NA	NA
+MJ084559	Khafrefungin 	C33H56O9	596.392433	NA	MeJP	NA	NA
+PJ007697	PVLLR 	C28H52N8O6	596.401	NA	PeJP	NA	NA
+MJ084560	Prednisone; 21-Hexadecanoyl 	C37H56O6	596.407689	NA	MeJP	NA	NA
+MJ084561	Stigmast-5-ene-3,7,15-triol, 3-(4-Hydroxy-3-methoxybenzoyl) 	C37H56O6	596.407689	NA	MeJP	NA	NA
+MJ084562	Fawcettiine, 8-Epimer, Ac, 1:1 complex with Lycopodine CDK25-X 	C36H56N2O5	596.418922	NA	MeJP	NA	NA
+MJ084563	3',4'-Didehydro-1',2'-dihydro-3-hydroxy-1'-methoxy-?,?-caroten-19'-al 	C41H56O3	596.422945	NA	MeJP	NA	NA
+MJ084564	Antibiotic X 14873G 	C34H60O8	596.428818	NA	MeJP	NA	NA
+MJ084565	Sorangiolide A; 6-Hydroxy 	C34H60O8	596.428818	NA	MeJP	NA	NA
+MJ084566	Bengamide Z; 6-Deoxy, N-de-Me, 5'-O-hexadecanoyl 	C33H60N2O7	596.440052	NA	MeJP	NA	NA
+C15881	Spirilloxanthin	C42H60O2	596.4593	NA	KEGG	NA	NA
+MJ084567	Bacteriopurpurin; Me ether 	C42H60O2	596.459331	NA	MeJP	NA	NA
+MJ084568	Lutein; Di-Me ether 	C42H60O2	596.459331	NA	MeJP	NA	NA
+MJ084569	Annomolin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084570	Annonacin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084571	Annoreticuin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084572	Asitrilobin B 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084573	Asitrocinone 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084574	Donnaienin A 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084575	Gigantetrocin A 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084576	Gigantetrocinone 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084577	Glacin A 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084578	Glacin B 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084579	Glaucafilin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084580	Goniothalamicin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084581	Isoannonacin A 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084582	Isoannoreticuin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084583	Itrabin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084584	Javoricin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084585	Muricatetrocin A 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084586	Plagionicin A 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084587	Pyragonicin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084588	Pyranicin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084589	Rolliacocin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084590	Squamoxinone C 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084591	Xylopianin 	C35H64O7	596.465204	NA	MeJP	NA	NA
+MJ084592	Minalemines; Minalemine A 	C29H60N10O3	596.484985	NA	MeJP	NA	NA
+MJ084593	12-Oleanene-3,28-diol, 3-Decanoyl 	C40H68O3	596.516846	NA	MeJP	NA	NA
+HMDB05201	DG(16:0/18:0/0:0)[iso2]	C37H72O5	596.53796	http://www.hmdb.ca/metabolites/HMDB05201	HMDB	NA	NA
+HMDB05209	DG(18:0/16:0/0:0)	C37H72O5	596.53796	http://www.hmdb.ca/metabolites/HMDB05209	HMDB	NA	NA
+HMDB05201	DG(16:0/18:0/0:0)[iso2]	C37H72O5	596.53796	HMDB05201	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05209	DG(18:0/16:0/0:0)	C37H72O5	596.53796	HMDB05209	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07020	DG(14:0/20:0/0:0)	C37H72O5	596.537964	NA	HMDB2010	NA	NA
+HMDB07100	DG(16:0/18:0/0:0)	C37H72O5	596.537964	NA	HMDB2010	NA	NA
+HMDB07156	DG(18:0/16:0/0:0)	C37H72O5	596.537964	NA	HMDB2010	NA	NA
+HMDB07356	DG(20:0/14:0/0:0)	C37H72O5	596.537964	NA	HMDB2010	NA	NA
+HMDB06725	Cholestryl myristic acid	C41H72O2	596.55322	http://www.hmdb.ca/metabolites/HMDB06725	HMDB	NA	NA
+HMDB06725	Cholestryl myristic acid	C41H72O2	596.55322	HMDB06725	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06725	CE(14:0)	C41H72O2	596.553223	NA	HMDB2010	NA	NA
+MJ084594	Lysolipin I 	C29H24ClNO11	597.103788	NA	MeJP	NA	NA
+PJ007698	CDDDM 	C20H31N5O12S2	597.1411	NA	PeJP	NA	NA
+FL7AAGGA0002	Delphinidin 3-lathyroside	C26H29O16	597.14555	57029-72-8	knapsack	NA	NA
+FL7AAGGL0003	Delphinidin 3-sambubioside	C26H29O16	597.14555	53158-73-9	knapsack	NA	NA
+PJ007699	GSCCND 	C19H31N7O11S2	597.1523	NA	PeJP	NA	NA
+PJ007700	CCNQM 	C20H35N7O8S3	597.1709	NA	PeJP	NA	NA
+PJ007701	GGCCQM 	C20H35N7O8S3	597.171	NA	PeJP	NA	NA
+MJ084595	Cyclothialidines; Cyclothialidine D 	C24H31N5O11S	597.174077	NA	MeJP	NA	NA
+PJ007702	SDDMM 	C21H35N5O11S2	597.1775	NA	PeJP	NA	NA
+PJ007703	CCCNR 	C19H35N9O7S3	597.1822	NA	PeJP	NA	NA
+MJ084596	Cronidipine 	C30H32ClN3O8	597.187792	NA	MeJP	NA	NA
+PJ007704	GSSCNM 	C20H35N7O10S2	597.1887	NA	PeJP	NA	NA
+PJ007705	GDDEY 	C24H31N5O13	597.1919	NA	PeJP	NA	NA
+PJ007706	PCCEF 	C25H35N5O8S2	597.1927	NA	PeJP	NA	NA
+PJ007707	GEMMM 	C22H39N5O8S3	597.1961	NA	PeJP	NA	NA
+PJ007708	SCDHH 	C22H31N9O9S	597.1966	NA	PeJP	NA	NA
+PJ007709	PDDDH 	C23H31N7O12	597.2031	NA	PeJP	NA	NA
+MJ084597	Perphenazine; 3,4,5-Trimethoxybenzoyl 	C31H36ClN3O5S	597.206419	NA	MeJP	NA	NA
+PJ007710	SSSSCQ 	C20H35N7O12S	597.2065	NA	PeJP	NA	NA
+PJ007711	DDYW 	C28H31N5O10	597.2071	NA	PeJP	NA	NA
+PJ007712	CCNKM 	C21H39N7O7S3	597.2073	NA	PeJP	NA	NA
+PJ007713	SPCEY 	C25H35N5O10S	597.2105	NA	PeJP	NA	NA
+PJ007714	MMMW 	C26H39N5O5S3	597.2114	NA	PeJP	NA	NA
+PJ007715	STEMM 	C22H39N5O10S2	597.2139	NA	PeJP	NA	NA
+PJ007716	ACMHH 	C23H35N9O6S2	597.2152	NA	PeJP	NA	NA
+MJ084598	8-(4-Hydroxybenzyl)-3-methoxy-2,9,10-berbintriol; O-?-Glucopyranoside, N-oxide 	C31H35NO11	597.22101	NA	MeJP	NA	NA
+MJ084599	Sulfurmycin C; 4'-O-Deglycosyl 	C31H35NO11	597.22101	NA	MeJP	NA	NA
+PJ007717	GNNMY 	C24H35N7O9S	597.2217	NA	PeJP	NA	NA
+PJ007718	GSSSSSS 	C20H35N7O14	597.2242	NA	PeJP	NA	NA
+PJ007719	GSTCCK 	C21H39N7O9S2	597.2251	NA	PeJP	NA	NA
+PJ007720	DMFW 	C29H35N5O7S	597.2257	NA	PeJP	NA	NA
+PJ007721	GTEEY 	C25H35N5O12	597.2282	NA	PeJP	NA	NA
+PJ007722	GPMMY 	C26H39N5O7S2	597.2291	NA	PeJP	NA	NA
+PJ007723	SVMMM 	C23H43N5O7S3	597.2325	NA	PeJP	NA	NA
+PJ007724	SSMHH 	C23H35N9O8S	597.233	NA	PeJP	NA	NA
+PJ007725	SSNQY 	C24H35N7O11	597.2395	NA	PeJP	NA	NA
+PJ007726	SSSSCK 	C21H39N7O11S	597.2428	NA	PeJP	NA	NA
+PJ007727	TEYW 	C29H35N5O9	597.2435	NA	PeJP	NA	NA
+PJ007728	GVEMY 	C26H39N5O9S	597.2469	NA	PeJP	NA	NA
+PJ007729	GQQEH 	C23H35N9O10	597.2507	NA	PeJP	NA	NA
+PJ007730	GNNFF 	C28H35N7O8	597.2547	NA	PeJP	NA	NA
+PJ007731	GGGGGFF 	C28H35N7O8	597.2548	NA	PeJP	NA	NA
+MJ084600	Ingol; 8-(3-Pyridinecarbonyl), 3,7,12-tri-Ac 	C32H39NO10	597.257396	NA	MeJP	NA	NA
+MJ084601	Ipalbidine, O-[4--Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C32H39NO10	597.257396	NA	MeJP	NA	NA
+MJ084602	Trideacetylpyripyropene A; 19-Propanoyl, 3,7-di-Ac 	C32H39NO10	597.257396	NA	MeJP	NA	NA
+MJ084603	Trideacetylpyripyropene A; 3-Propanoyl, 7,19-di-Ac 	C32H39NO10	597.257396	NA	MeJP	NA	NA
+MJ084604	Trideacetylpyripyropene A; 7-Propanoyl, 3,19-di-Ac 	C32H39NO10	597.257396	NA	MeJP	NA	NA
+PJ007732	EMRY 	C25H39N7O8S	597.2581	NA	PeJP	NA	NA
+MJ084605	Ergotamine; 8-Hydroxy 	C33H35N5O6	597.258733	NA	MeJP	NA	NA
+MJ084606	Hydroxystreptomycin 	C21H39N7O13	597.260584	NA	MeJP	NA	NA
+C17571	5'-Hydroxystreptomycin	C21H39N7O13	597.2606	NA	KEGG	NA	NA
+PJ007733	GNDHR 	C22H35N11O9	597.262	NA	PeJP	NA	NA
+PJ007734	VMYW 	C30H39N5O6S	597.2621	NA	PeJP	NA	NA
+PJ007735	SSLEY 	C26H39N5O11	597.2646	NA	PeJP	NA	NA
+PJ007736	GLMMF 	C27H43N5O6S2	597.2655	NA	PeJP	NA	NA
+PJ007737	QQHW 	C27H35N9O7	597.266	NA	PeJP	NA	NA
+PJ007738	PCNKH 	C24H39N9O7S	597.2693	NA	PeJP	NA	NA
+PJ007739	GGPCKH 	C24H39N9O7S	597.2694	NA	PeJP	NA	NA
+PJ007740	SSNKY 	C25H39N7O10	597.2759	NA	PeJP	NA	NA
+PJ007741	APHHH 	C26H35N11O6	597.2772	NA	PeJP	NA	NA
+3534	ACE inhibitor	YPRY	597.279	ACE inhibitor	Inhouse_peptide	NA	peptide
+3794	NA	RYYP	597.279	ACE inhibitor	Inhouse_peptide	NA	peptide
+7679	ACE inhibitor from bonito bowels	YRPY	597.279	antioxidative	Inhouse_peptide	NA	peptide
+MJ084607	Rubellidin 1.1 	C30H39N5O8	597.279863	NA	MeJP	NA	NA
+PJ007742	GPVYY 	C30H39N5O8	597.2799	NA	PeJP	NA	NA
+PJ007743	ATLMY 	C27H43N5O8S	597.2832	NA	PeJP	NA	NA
+PJ007744	SVVMY 	C27H43N5O8S	597.2833	NA	PeJP	NA	NA
+PJ007745	PPNDR 	C24H39N9O9	597.2871	NA	PeJP	NA	NA
+PJ007746	APPQW 	C29H39N7O7	597.2911	NA	PeJP	NA	NA
+MJ084608	Dictyocarpinine; 14-O-Benzoyl, 6-Ac 	C33H43NO9	597.293781	NA	MeJP	NA	NA
+PJ007747	GCKKY 	C26H43N7O7S	597.2945	NA	PeJP	NA	NA
+PJ007748	VFFW 	C34H39N5O5	597.2951	NA	PeJP	NA	NA
+PJ007749	GTQHR 	C23H39N11O8	597.2983	NA	PeJP	NA	NA
+PJ007750	TTTLY 	C27H43N5O10	597.301	NA	PeJP	NA	NA
+2570	VV-hemorphin-7	VVYPWTQRF	597.302	MH2+	Inhouse_peptide	NA	peptide
+PJ007751	QKHW 	C28H39N9O6	597.3023	NA	PeJP	NA	NA
+PJ007752	GAKHW 	C28H39N9O6	597.3024	NA	PeJP	NA	NA
+PJ007753	SLLEH 	C26H43N7O9	597.3122	NA	PeJP	NA	NA
+PJ007754	GAPPKE 	C26H43N7O9	597.3123	NA	PeJP	NA	NA
+PJ007755	GVLFY 	C31H43N5O7	597.3163	NA	PeJP	NA	NA
+MJ084609	Afrocurarine 	C39H42N4O2(+)	597.322951	NA	MeJP	NA	NA
+PJ007756	PPTQR 	C25H43N9O8	597.3235	NA	PeJP	NA	NA
+MJ084610	SP-Chymostatin B; 1-Alcohol 	C30H43N7O6	597.327482	NA	MeJP	NA	NA
+MJ084611	Tyrosylarginylisoleucinamide; L-L-L-form, N1-(2-Hydroxy-3-phenylpropanoyl)(S-) 	C30H43N7O6	597.327482	NA	MeJP	NA	NA
+PJ007757	APPKW 	C30H43N7O6	597.3275	NA	PeJP	NA	NA
+MJ084612	Chasmanine; 1-Epimer, 14-benzoyl, 8-Ac 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+MJ084613	Chasmanine; 14-O-Benzoyl, 8-Ac 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+MJ084614	Chasmanine; 8-O-Benzoyl, 14-Ac 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+MJ084615	Delphiperegrine 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+MJ084616	Talatizamine; O1-De-Me, 14-O-(3,4-dimethoxycinnamoyl) 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+MJ084617	Talatizamine; O8-(4-Methoxybenzoyl), O14-Ac 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+MJ084618	Taxine B; 13?-Alcohol, 1-deoxy, N-de-Me, 13-Ac 	C34H47NO8	597.330167	NA	MeJP	NA	NA
+PJ007758	VVLMH 	C27H47N7O6S	597.3309	NA	PeJP	NA	NA
+PJ007759	GTKHR 	C24H43N11O7	597.3347	NA	PeJP	NA	NA
+PJ007760	KKHW 	C29H43N9O5	597.3387	NA	PeJP	NA	NA
+MJ084619	Yanucamide A 	C33H47N3O7	597.3414	NA	MeJP	NA	NA
+PJ007761	PPKKE 	C27H47N7O8	597.3486	NA	PeJP	NA	NA
+MJ084620	Cirramycin A1 	C31H51NO10	597.351296	NA	MeJP	NA	NA
+MJ084621	Rosamicin; 20-Carboxylic acid 	C31H51NO10	597.351296	NA	MeJP	NA	NA
+MJ084622	Rosamicin; 23-Hydroxy 	C31H51NO10	597.351296	NA	MeJP	NA	NA
+MJ084623	Tylonolide; 5-O-(3,6-Dideoxy-3-dimethylamino-?-D-glucopyranoside) 	C31H51NO10	597.351296	NA	MeJP	NA	NA
+C12002	5-O-beta-D-Mycaminosyltylonolide	C31H51NO10	597.3513	NA	KEGG	NA	NA
+C10016	Zizyphine F	C32H47N5O6	597.3526	NA	KEGG	NA	NA
+MJ084624	Zizyphine A; N-De-Me 	C32H47N5O6	597.352634	NA	MeJP	NA	NA
+MJ084625	Zizyphine A; O-De-Me 	C32H47N5O6	597.352634	NA	MeJP	NA	NA
+PJ007762	PPTKR 	C26H47N9O7	597.3599	NA	PeJP	NA	NA
+CJneg0650	L-urobilinogen [(M-H)]- (13C)	C3213CH47N4O6	597.361325	C18rt(min)=9.4 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0650	L-urobilinogen [(M-H)]- (13C)	C3213CH47N4O6	597.361325	C18rt(min)=9.4 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ084626	Amphilactam A 	C35H51NO7	597.366552	NA	MeJP	NA	NA
+PJ007763	GPLRR 	C25H47N11O6	597.3711	NA	PeJP	NA	NA
+EUR780	Lyso PC 22:2 [M+Na]+	C30H58NO7P	597.377038	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR780	Lyso PC 22:2 [M+Na]+	C30H58NO7P	597.377038	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR780	Lyso PC 22:2 [M+Na]+	C30H58NO7P	597.377038	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR780	Lyso PC 22:2 [M+Na]+	C30H58NO7P	597.377038	masses lipides attendues	Inhousejuil11	NA	NA
+PJ007764	PLLQK 	C28H51N7O7	597.385	NA	PeJP	NA	NA
+MJ084627	Mauritine D 	C33H51N5O5	597.389019	NA	MeJP	NA	NA
+PJ007765	PVVKR 	C27H51N9O6	597.3963	NA	PeJP	NA	NA
+EUR742	Lyso PC 20:0 [M+FA-H]-	C28H58NO7P	597.399972	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR742	Lyso PC 20:0 [M+FA-H]-	C28H58NO7P	597.399972	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR742	Lyso PC 20:0 [M+FA-H]-	C28H58NO7P	597.399972	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR742	Lyso PC 20:0 [M+FA-H]-	C28H58NO7P	597.399972	masses lipides attendues	Inhousejuil11	NA	NA
+EUR893	Lyso PE 22:0 [M-H+acetate]-	C27H56NO7P	597.400542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR893	Lyso PE 22:0 [M-H+acetate]-	C27H56NO7P	597.400542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR893	Lyso PE 22:0 [M-H+acetate]-	C27H56NO7P	597.400542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR893	Lyso PE 22:0 [M-H+acetate]-	C27H56NO7P	597.400542	masses lipides attendues	Inhousejuil11	NA	NA
+PJ007766	PLLKK 	C29H55N7O6	597.4214	NA	PeJP	NA	NA
+MJ084628	Didemniserinolipid A 	C33H59NO8	597.424067	NA	MeJP	NA	NA
+MJ084629	Tenuilobine 	C33H71N7O2	597.566924	NA	MeJP	NA	NA
+2748	activating kinases and phosphatases peptide	EPFYENWPD	597.7339	MH2+	Inhouse_peptide	NA	peptide
+C18093	Iopodic acid	C12H13I3N2O2	597.8111	NA	KEGG	NA	NA
+MJ084630	Iopodic acid 	C12H13I3N2O2	597.811107	NA	MeJP	NA	NA
+MJ084631	Chartelline A; 17-Debromo 	C20H14Br3ClN4O	597.840626	NA	MeJP	NA	NA
+MJ084632	Sulfarsphenamine; Na salt 	C14H14As2N2Na2O8S2	597.841888	NA	MeJP	NA	NA
+MJ084633	Emestrin 	C27H22N2O10S2	598.071586	NA	MeJP	NA	NA
+MJ084634	1,1',6,6',8,8'-Hexahydroxy-3,3'-bis(2-oxopropyl)[2,2'-bi-9H-xanthene]-9,9'-dione 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084635	1,1',8,8'-Tetrahydroxy-3,3'-dimethoxy-6,6'-dimethyl-2,2'-bianthraquinone; 5,5'-Dihydroxy 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084636	4,4'-Bis[1,3,8-trihydroxy-6-methoxy-2-methylanthraquinone] 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084637	6,6'-Bierythroglaucin 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084638	Antibiotic SC 2051 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084639	Crisamicin A 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084640	Fusaroskyrin 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084641	Mesuferrol A 	C32H22O12	598.111126	NA	MeJP	NA	NA
+MJ084642	Oryzachlorin 	C26H31ClN2O8S2	598.121035	NA	MeJP	NA	NA
+MJ084643	Yunnaneic acid F 	C29H26O14	598.132255	NA	MeJP	NA	NA
+PJ007767	GSCCDD 	C19H30N6O12S2	598.1363	NA	PeJP	NA	NA
+PJ007768	APCCCC 	C20H34N6O7S4	598.1372	NA	PeJP	NA	NA
+MJ084644	Dermocanarin 2 	C33H26O11	598.147511	NA	MeJP	NA	NA
+MJ084645	Santarubin C 	C33H26O11	598.147511	NA	MeJP	NA	NA
+MJ084646	1,2,5,6,8-Pentahydroxyxanthone; 5,6-Di-Me ether, 2-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O16	598.153384	NA	MeJP	NA	NA
+MJ084647	1,3,5,8-Tetrahydroxyxanthone; 3-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H30O16	598.153384	NA	MeJP	NA	NA
+PJ007769	CCNEM 	C20H34N6O9S3	598.155	NA	PeJP	NA	NA
+PJ007770	CCCDR 	C19H34N8O8S3	598.1662	NA	PeJP	NA	NA
+MJ084648	Jacaranose 	C30H30O13	598.168641	NA	MeJP	NA	NA
+PJ007771	GCCMW 	C24H34N6O6S3	598.1702	NA	PeJP	NA	NA
+PJ007772	GSSCDM 	C20H34N6O11S2	598.1727	NA	PeJP	NA	NA
+MJ084649	10-Formyltetrahydrofolyl L-glutamate 	C25H26N8O10	598.177189	NA	MeJP	NA	NA
+MJ084650	6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,12,14-Tetra-Ac 	C28H35ClO12	598.181704	NA	MeJP	NA	NA
+MJ084651	6-Chloro-11,20-epoxy-2,8,9,13,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac 	C28H35ClO12	598.181704	NA	MeJP	NA	NA
+MJ084652	6-Chloro-4,8-epoxy-2,3,9,14-tetrahydroxy-5(16),11(20)-briaradien-18,7-olide; 11?,20-Epoxide, tetra-Ac 	C28H35ClO12	598.181704	NA	MeJP	NA	NA
+MJ084653	2,2',3,3',4,4',7,7',9,9'-Decahydroxy-1,1'-biphenanthrene; 3,3',4,4',9,9'-Hexa-Me ether 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084654	2,2',3,4,5',6',7,7',9,10'-Decahydroxy-1,1'-biphenanthrene; 3,4,5',6',9,10'-Hexa-Me ether 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084655	3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone, 3',4',4''',7''-Tetra-Me ether 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084656	Antibiotic A 39183A 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084657	Antibiotic A 39183C 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084658	Crinemodin bianthrone; 1'',1'''-Dihydroxy 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084659	Hexaspermone C; 4'-Me ether 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084660	Hexaspermone C; 5-Me ether 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084661	Sophoraflavanone H; 4''-Hydroxy 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084662	Trianguletin 	C34H30O10	598.183897	NA	MeJP	NA	NA
+MJ084663	7-N-[2-[[2-(?-L-Glutamylamino)ethyl]dithio]ethyl]mitomycin C 	C24H34N6O8S2	598.187953	NA	MeJP	NA	NA
+PJ007773	STCCW 	C24H34N6O8S2	598.188	NA	PeJP	NA	NA
+MJ084664	1-(3,5-Diglucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084665	2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, 6-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084666	2-Hydroxybenzyl 2,6-dihydroxybenzoate; 2-Me ether, 2',6-di-O-?-D-glucopyranoside 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084667	3,3',4',5,7-Pentahydroxyflavan, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084668	Eranthin; 4'-O-?-D-Gentiobioside 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084669	Geniposidic acid; Penta-Ac, Me ester 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084670	Lamiide; 7-(3-Hydroxy-4-methoxycinnamoyl)(E-) 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084671	Oleuropein; 10-Acetoxy 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084672	Semivioxanthin, 9-O-[?-D-Allopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H34O15	598.18977	NA	MeJP	NA	NA
+MJ084673	Semivioxanthin, 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H34O15	598.18977	NA	MeJP	NA	NA
+FL1DAACS0002	Phloretin 3',5'-Di-C-glucoside	C27H34O15	598.18977	357401-40-2	knapsack	NA	NA
+FL63ACGS0008	Catechin 3-O-rutinoside	C27H34O15	598.18977	155260-73-4	knapsack	NA	NA
+C11639	Geniposide pentaacetate	C27H34O15	598.1898	NA	KEGG	NA	NA
+PJ007774	SSSSCE 	C20H34N6O13S	598.1905	NA	PeJP	NA	NA
+PJ007775	SCQMM 	C21H38N6O8S3	598.1913	NA	PeJP	NA	NA
+PJ007776	GGTCMM 	C21H38N6O8S3	598.1914	NA	PeJP	NA	NA
+PJ007777	SCCMR 	C20H38N8O7S3	598.2026	NA	PeJP	NA	NA
+MJ084674	Landomycin A; 3B-Deglycosyl 	C31H34O12	598.205026	NA	MeJP	NA	NA
+MJ084675	Saquayamycin A; 3-O-Deglycosyl, 2'',3''-dihydro 	C31H34O12	598.205026	NA	MeJP	NA	NA
+PJ007778	GNDMY 	C24H34N6O10S	598.2057	NA	PeJP	NA	NA
+PJ007779	GSSSMM 	C21H38N6O10S2	598.2091	NA	PeJP	NA	NA
+PJ007780	PCNEH 	C23H34N8O9S	598.217	NA	PeJP	NA	NA
+MJ084676	Punaglandin 1; 12-Ac 	C29H39ClO11	598.218089	NA	MeJP	NA	NA
+FL1CBANC0001	Calyxin A	C35H34O9	598.22028	164991-52-0	knapsack	NA	NA
+MJ084677	Calyxin F; 6S-Hydroxy 	C35H34O9	598.220282	NA	MeJP	NA	NA
+MJ084678	Deoxycalyxin A; 3'-Hydroperoxide 	C35H34O9	598.220282	NA	MeJP	NA	NA
+PJ007781	CQYW 	C28H34N6O7S	598.221	NA	PeJP	NA	NA
+C18149	Tributyltin oxide	C24H54OSn2	598.2219	NA	KEGG	NA	NA
+MJ084679	Streptidine; Octa-Ac 	C24H34N6O12	598.22347	NA	MeJP	NA	NA
+PJ007782	SSNEY 	C24H34N6O12	598.2235	NA	PeJP	NA	NA
+PJ007783	GNMMF 	C25H38N6O7S2	598.2244	NA	PeJP	NA	NA
+MJ084680	1-(4-Hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1,3-propanediol; 5,5'-Dimethoxy, 4-O-?-D-glucopyranoside 	C28H38O14	598.226155	NA	MeJP	NA	NA
+MJ084681	15,16-Epoxy-1,2,4,8-tetrahydroxy-18,19-dinor-13(16),14-clerodadien-17,12-olide, 1,2-Di-Ac, 4-O-?-D-Glucopyranoside 	C28H38O14	598.226155	NA	MeJP	NA	NA
+MJ084682	2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 2,3,4,9-Tetra-Ac 	C28H38O14	598.226155	NA	MeJP	NA	NA
+MJ084683	3,3',4,4',5,5',9,9'-Octahydroxy-7,7'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 9-or 9'-O-?-D-glucopyranoside 	C28H38O14	598.226155	NA	MeJP	NA	NA
+PJ007784	SSSSTM 	C21H38N6O12S	598.2269	NA	PeJP	NA	NA
+PJ007785	SCKMM 	C22H42N6O7S3	598.2277	NA	PeJP	NA	NA
+PJ007786	GPCHW 	C27H34N8O6S	598.2322	NA	PeJP	NA	NA
+PJ007787	GQEEH 	C23H34N8O11	598.2347	NA	PeJP	NA	NA
+PJ007788	ACCFR 	C24H38N8O6S2	598.2356	NA	PeJP	NA	NA
+PJ007789	GSSYW 	C28H34N6O9	598.2387	NA	PeJP	NA	NA
+PJ007790	GNDFF 	C28H34N6O9	598.2388	NA	PeJP	NA	NA
+MJ084684	Cardinalin 11 	C32H38O11	598.241412	NA	MeJP	NA	NA
+MJ084685	Gedunin; 6?,11?-Diacetoxy 	C32H38O11	598.241412	NA	MeJP	NA	NA
+MJ084686	Kadsurarin; O3'-De-Me, O-de-Ac, O7-angeloyl 	C32H38O11	598.241412	NA	MeJP	NA	NA
+MJ084687	Polystachin 	C32H38O11	598.241412	NA	MeJP	NA	NA
+PJ007791	GTQMY 	C25H38N6O9S	598.2421	NA	PeJP	NA	NA
+C04536	Magnesium protoporphyrin monomethyl ester	C35H34MgN4O4	598.243	NA	KEGG	NA	NA
+C04537	N,N'-Diacetylchitobiosyldiphosphodolichol	C36H64N2O17P2	598.243	NA	KEGG	NA	NA
+C04539	N-Acetyl-D-glucosaminyllipopolysaccharide	C36H64N2O17P2	598.243	NA	KEGG	NA	NA
+MetaCyc03948	Mg-protoporphyrin monomethyl ester [magnesium-protoporphyrin IX 13-monomethyl ester;Mg-protoporphyrin monomethyl ester;magnesium protoporphyrin monomethyl ester;MgPMME;magnesium-protoporphyrin IX 13-methyl ester;MgP monomethyl ester;]	C35H34N4O4MG1	598.243048	NA	metacyc	NA	NA
+PJ007792	GDDHR 	C22H34N10O10	598.246	NA	PeJP	NA	NA
+PJ007793	QEHW 	C27H34N8O8	598.25	NA	PeJP	NA	NA
+PJ007794	GTCRY 	C24H38N8O8S	598.2534	NA	PeJP	NA	NA
+MJ084688	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,6,9-Tribenzoyl 	C36H38O8	598.256668	NA	MeJP	NA	NA
+MJ084689	Tinyatoxin 	C36H38O8	598.256668	NA	MeJP	NA	NA
+C09201	Tinyatoxin	C36H38O8	598.2567	NA	KEGG	NA	NA
+PJ007795	CKYW 	C29H38N6O6S	598.2574	NA	PeJP	NA	NA
+PJ007796	SSDKY 	C25H38N6O11	598.2599	NA	PeJP	NA	NA
+PJ007797	ACKMF 	C26H42N6O6S2	598.2607	NA	PeJP	NA	NA
+PJ007798	VCCKF 	C26H42N6O6S2	598.2608	NA	PeJP	NA	NA
+MJ084690	15,16-Epoxy-6,15,16-trihydroxy-3,13-clerodadien-17,12-olid-18-oic acid, 15,16-Di-Me ether, 6-O-?-D-glucopyranoside, Me ester 	C29H42O13	598.262541	NA	MeJP	NA	NA
+MJ084691	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; 4-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C29H42O13	598.262541	NA	MeJP	NA	NA
+PJ007799	SPCHR 	C23H38N10O7S	598.2646	NA	PeJP	NA	NA
+PJ007800	AHWW 	C31H34N8O5	598.2652	NA	PeJP	NA	NA
+PJ007801	SSSRY 	C24H38N8O10	598.2711	NA	PeJP	NA	NA
+PJ007802	APPEW 	C29H38N6O8	598.2751	NA	PeJP	NA	NA
+MJ084692	1,3,5,14,15-Pentahydroxy-9-paralianone, 3-Benzoyl, 1,5,14-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084693	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 10-Benzoyl, 7,9,13-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084694	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 9-Benzoyl, 7,10,13-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084695	2,3,5,14,15-Pentahydroxy-9-paralianone, 3-Benzoyl, 2,5,14-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084696	3,5,7,14,15-Pentahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,14-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084697	3,5,7,8,15-Pentahydroxy-6(17)11-jatrophadiene-9,14-dione, 5-Benzoyl, 3,7-dipropanoyl 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084698	3,5,8,14,15-Pentahydroxy-9-paralianone, 3-Benzoyl, 5,8,14-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084699	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 2-Benzoyl, 9,10,13-tri-Ac 	C33H42O10	598.277797	NA	MeJP	NA	NA
+MJ084700	Piscidofuran 	C33H42O10	598.277797	NA	MeJP	NA	NA
+PJ007803	GTKMY 	C26H42N6O8S	598.2785	NA	PeJP	NA	NA
+HMDB00668	Hematoporphyrin IX	C34H38N4O6	598.27911	http://www.hmdb.ca/metabolites/HMDB00668	HMDB	NA	NA
+HMDB00668	Hematoporphyrin IX	C34H38N4O6	598.27911	HMDB00668	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00668	Hematoporphyrin IX	C34H38N4O6	598.279114	NA	HMDB2010	NA	NA
+MJ084701	Haematoporphyrin 	C34H38N4O6	598.279134	NA	MeJP	NA	NA
+MetaCyc03949	(3Z)-phycocyanobilin []	C34H38N4O6	598.279135	NA	metacyc	NA	NA
+MJ084702	4-[[2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid; Et ester 	C31H39FN4O7	598.280277	NA	MeJP	NA	NA
+PJ007804	GTEHR 	C23H38N10O9	598.2823	NA	PeJP	NA	NA
+PJ007805	GGSNKH 	C23H38N10O9	598.2824	NA	PeJP	NA	NA
+PJ007806	KEHW 	C28H38N8O7	598.2864	NA	PeJP	NA	NA
+PJ007807	SPKMH 	C25H42N8O7S	598.2897	NA	PeJP	NA	NA
+PJ007808	GAALMH 	C25H42N8O7S	598.2898	NA	PeJP	NA	NA
+2893	neuropeptide from eyestalk of Macrobrachium rosenb	FMRF~	598.2934	antibacterial	Inhouse_peptide	NA	peptide
+MJ084703	Glicaramide 	C30H42N6O5S	598.293739	NA	MeJP	NA	NA
+PJ007809	STTKY 	C26H42N6O10	598.2963	NA	PeJP	NA	NA
+PJ007810	THRW 	C27H38N10O6	598.2976	NA	PeJP	NA	NA
+MJ084704	Nigakihemiacetal C; 12-Me ether, 11-Ac, 16-O-?-D-glucopyranoside(16?-) 	C30H46O12	598.298926	NA	MeJP	NA	NA
+PJ007811	GVMHR 	C24H42N10O6S	598.301	NA	PeJP	NA	NA
+PJ007812	PPTER 	C25H42N8O9	598.3075	NA	PeJP	NA	NA
+MJ084705	Antibiotic WS 7338; Antibiotic WS 7338A 	C30H42N6O7	598.311497	NA	MeJP	NA	NA
+PJ007813	SPPLW 	C30H42N6O7	598.3115	NA	PeJP	NA	NA
+PJ007814	MHRR 	C23H42N12O5S	598.3122	NA	PeJP	NA	NA
+MJ084706	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(7-Carboxyheptanoyl), 16-Ac 	C34H46O9	598.314183	NA	MeJP	NA	NA
+MJ084707	Nimbolinin B; 12-Me ether, O7-detigloyl, O1-de-Ac, O1-tigloyl 	C34H46O9	598.314183	NA	MeJP	NA	NA
+MJ084708	Salannic acid; 1-(3-Methylbutanoyl), 3-Ac, Me ester 	C34H46O9	598.314183	NA	MeJP	NA	NA
+MJ084709	Superphyllinic acid; 2'-Me ether 	C34H46O9	598.314183	NA	MeJP	NA	NA
+MJ084710	Superphyllinic acid; 4-O-De-Me, 2,2'-di-Me ether 	C34H46O9	598.314183	NA	MeJP	NA	NA
+PJ007815	AAPPLM 	C27H46N6O7S	598.3149	NA	PeJP	NA	NA
+PJ007816	SSLHR 	C24H42N10O8	598.3187	NA	PeJP	NA	NA
+PJ007817	GGGGPVR 	C24H42N10O8	598.3188	NA	PeJP	NA	NA
+PJ007818	APKHF 	C29H42N8O6	598.3228	NA	PeJP	NA	NA
+PJ007819	PPVMR 	C26H46N8O6S	598.3261	NA	PeJP	NA	NA
+PJ007820	GPNRR 	C23H42N12O7	598.33	NA	PeJP	NA	NA
+PJ007821	PLLQE 	C27H46N6O9	598.3326	NA	PeJP	NA	NA
+PJ007822	GAPLLE 	C27H46N6O9	598.3327	NA	PeJP	NA	NA
+MJ084711	Androst-8-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C31H50O11	598.335312	NA	MeJP	NA	NA
+MJ084712	Cyl-2 	C32H46N4O7	598.336649	NA	MeJP	NA	NA
+PJ007823	PVVER 	C26H46N8O8	598.3439	NA	PeJP	NA	NA
+PJ007824	APLLW 	C31H46N6O6	598.3479	NA	PeJP	NA	NA
+MJ084713	Antibiotic S 541; Antibiotic S 541B 	C35H50O8	598.350568	NA	MeJP	NA	NA
+MJ084714	Antibiotic S 541; Antibiotic S 541D 	C35H50O8	598.350568	NA	MeJP	NA	NA
+MJ084715	Antibiotic VM 44866; 5-Me ether 	C35H50O8	598.350568	NA	MeJP	NA	NA
+MJ084716	Nemadectin ? 	C35H50O8	598.350568	NA	MeJP	NA	NA
+MJ084717	Wikstrotoxin A 	C35H50O8	598.350568	NA	MeJP	NA	NA
+C11980	Avermectin A1a aglycone	C35H50O8	598.3506	NA	KEGG	NA	NA
+PJ007825	APQKR 	C25H46N10O7	598.3551	NA	PeJP	NA	NA
+PJ007826	PLLKE 	C28H50N6O8	598.369	NA	PeJP	NA	NA
+MJ084718	2-Polyprenyl-1,4-benzenediol; 2-Hexaprenyl-1,4-benzenediol, 1-Sulfate 	C36H54O5S	598.369195	NA	MeJP	NA	NA
+MJ084719	2-Polyprenyl-1,4-benzenediol; 2-Hexaprenyl-1,4-benzenediol, 4-Sulfate 	C36H54O5S	598.369195	NA	MeJP	NA	NA
+MJ084720	3,14-Clerodadiene-6,13-diol, 13-O-?-L-Fucopyranoside, 6-O-?-L-rhamnopyranoside 	C32H54O10	598.371697	NA	MeJP	NA	NA
+MJ084721	3,14-Clerodadiene-6,13-diol, 13-O-[?-L-Fucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H54O10	598.371697	NA	MeJP	NA	NA
+MJ084722	3,14-Clerodadiene-6,13-diol, 6-O-?-D-Fucopyranoside, 13-O-?-L-rhamnopyranoside 	C32H54O10	598.371697	NA	MeJP	NA	NA
+MJ084723	3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Fucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H54O10	598.371697	NA	MeJP	NA	NA
+MJ084724	Tocofenoxate 	C37H55ClO4	598.378887	NA	MeJP	NA	NA
+PJ007827	PTLLR 	C27H50N8O7	598.3803	NA	PeJP	NA	NA
+PJ007828	APKKR 	C26H50N10O6	598.3915	NA	PeJP	NA	NA
+MJ084725	Fusarochromanone; 3'-N-Ac, 4'-O-(9-octadecenoyl) 	C35H54N2O6	598.398187	NA	MeJP	NA	NA
+C15928	4-Ketomyxol	C40H54O4	598.4022	NA	KEGG	NA	NA
+C15929	Leucokinin VIII	C40H54O4	598.4022	NA	KEGG	NA	NA
+MJ084726	2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 4'-Deoxo, 2'-deoxy 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084727	3,3',4'-Trihydroxy-?,?-caroten-4-one 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084728	Amarouciaxanthin B; 4,5?-Dihydro 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084729	Crassostreaxanthin A 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084730	Crassostreaxanthin B 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084731	Flexixanthin; 2'-Hydroxy 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084732	Halocynthiaxanthin 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084733	Lilixanthin; 4-Ketone 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084734	Mytiloxanthin 	C40H54O4	598.40221	NA	MeJP	NA	NA
+MJ084735	Uriolide; Deepoxy 	C40H54O4	598.40221	NA	MeJP	NA	NA
+HMDB03162	7-Methylhypoxanthine	C40H54O4	598.40222	http://www.hmdb.ca/metabolites/HMDB03162	HMDB	NA	NA
+HMDB03162	7-Methylhypoxanthine	C40H54O4	598.40222	HMDB03162	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03162	7-Methylhypoxanthine	C40H54O4	598.402222	NA	HMDB2010	NA	NA
+PJ007829	LLLLQ 	C29H54N6O7	598.4054	NA	PeJP	NA	NA
+MJ084736	Cholestane-3,4,6,15,24-pentol, 3-(2-O-Methyl-?-D-xylopyranoside) 	C33H58O9	598.408083	NA	MeJP	NA	NA
+MJ084737	Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-?-D-xylopyranoside) 	C33H58O9	598.408083	NA	MeJP	NA	NA
+MJ084738	Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-?-L-arabinofuranoside) 	C33H58O9	598.408083	NA	MeJP	NA	NA
+PJ007830	VVLLR 	C28H54N8O6	598.4167	NA	PeJP	NA	NA
+MJ084739	Bengamide Z; 6-O-(12-Methyltridecanoyl) 	C32H58N2O8	598.419316	NA	MeJP	NA	NA
+MJ084740	Bengamide Z; 6-O-Tetradecanoyl 	C32H58N2O8	598.419316	NA	MeJP	NA	NA
+MJ084741	Bengamide Z; N-De-Me, 6-O-(13-methyltetradecanoyl) 	C32H58N2O8	598.419316	NA	MeJP	NA	NA
+MJ084742	Bengamide Z; N-De-Me, 6-O-pentadecanoyl 	C32H58N2O8	598.419316	NA	MeJP	NA	NA
+MJ084743	12-Oleanene-3,16,22,28-tetrol, 22-Angeloyl, 16-Ac 	C37H58O6	598.423339	NA	MeJP	NA	NA
+MJ084744	3-(3,7-Dimethyl-5-oxo-2,6-octadienyl)-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde; 1'-O-Octadecanoyl 	C37H58O6	598.423339	NA	MeJP	NA	NA
+MJ084745	Hericenone G 	C37H58O6	598.423339	NA	MeJP	NA	NA
+MJ084746	Prednisolone; 21-Hexadecanoyl 	C37H58O6	598.423339	NA	MeJP	NA	NA
+PJ007831	LLLLK 	C30H58N6O6	598.4418	NA	PeJP	NA	NA
+MJ084747	Bacteriopurpurin; 3,4-Dihydro, Me ether 	C42H62O2	598.474981	NA	MeJP	NA	NA
+MJ084748	Sulfolobusquinone 	C39H66O2S	598.478352	NA	MeJP	NA	NA
+MJ084749	Jetein 	C35H66O7	598.480854	NA	MeJP	NA	NA
+MJ084750	5,7-Dihydroxy-6-methyl-2-nonacosyl-4H-1-benzopyran-4-one 	C39H66O4	598.49611	NA	MeJP	NA	NA
+MJ084751	Tetrahydro-2-(1-hydroxy-9-nonenyl)-5-pentyl-3-furanol, 3-O-(5,8,11,14-Eicosatetraenoyl)(all-Z) 	C39H66O4	598.49611	NA	MeJP	NA	NA
+2747	activating kinases and phosphatases peptide	EPFYMNWPD	598.7331	MH2+	Inhouse_peptide	NA	peptide
+MJ084752	3-Amino-2,4,6-triiodobenzoic acid; N,N-Di-Ac 	C11H8I3NO4	598.758738	NA	MeJP	NA	NA
+5446	caeridin 1,1	GLLDGLLGTLGLG	598.84145	MH2+	Inhouse_peptide	NA	peptide
+MJ084753	Clionamide, Tetra-Ac 	C27H26BrN3O8	599.090327	NA	MeJP	NA	NA
+PJ007832	CCDEM 	C20H33N5O10S3	599.139	NA	PeJP	NA	NA
+PJ007833	GSCCCQ 	C19H33N7O9S3	599.1502	NA	PeJP	NA	NA
+PJ007834	SSSCCN 	C19H33N7O11S2	599.168	NA	PeJP	NA	NA
+PJ007835	PCCDY 	C24H33N5O9S2	599.172	NA	PeJP	NA	NA
+PJ007836	SCEMM 	C21H37N5O9S3	599.1754	NA	PeJP	NA	NA
+PJ007837	CCNNF 	C23H33N7O8S2	599.1832	NA	PeJP	NA	NA
+PJ007838	GSCCCK 	C20H37N7O8S3	599.1866	NA	PeJP	NA	NA
+PJ007839	GCEEY 	C24H33N5O11S	599.1897	NA	PeJP	NA	NA
+PJ007840	GDDMY 	C24H33N5O11S	599.1898	NA	PeJP	NA	NA
+PJ007841	PCCMF 	C25H37N5O6S3	599.1906	NA	PeJP	NA	NA
+PJ007842	GMMMM 	C22H41N5O6S4	599.194	NA	PeJP	NA	NA
+PJ007843	TCCHH 	C22H33N9O7S2	599.1945	NA	PeJP	NA	NA
+MJ084754	Daunomycin; N-(Ethoxycarbonyl) 	C30H33NO12	599.200275	NA	MeJP	NA	NA
+PJ007844	SCNNY 	C23H33N7O10S	599.201	NA	PeJP	NA	NA
+PJ007845	CEYW 	C28H33N5O8S	599.205	NA	PeJP	NA	NA
+MJ084755	Microciona Cell aggregation factor 	C23H37NO17	599.206148	NA	MeJP	NA	NA
+PJ007846	SSDEY 	C24H33N5O13	599.2075	NA	PeJP	NA	NA
+PJ007847	SPCMY 	C25H37N5O8S2	599.2084	NA	PeJP	NA	NA
+PJ007848	STMMM 	C22H41N5O8S3	599.2117	NA	PeJP	NA	NA
+PJ007849	GEEEH 	C23H33N7O12	599.2187	NA	PeJP	NA	NA
+PJ007850	VDDDH 	C23H33N7O12	599.2188	NA	PeJP	NA	NA
+PJ007851	GDDFF 	C28H33N5O10	599.2228	NA	PeJP	NA	NA
+PJ007852	GTEMY 	C25H37N5O10S	599.2261	NA	PeJP	NA	NA
+PJ007853	GCHHF 	C26H33N9O6S	599.2275	NA	PeJP	NA	NA
+PJ007854	SNNEH 	C22H33N9O11	599.23	NA	PeJP	NA	NA
+PJ007855	EEHW 	C27H33N7O9	599.234	NA	PeJP	NA	NA
+MJ084756	Epelmycin C; 4A-O-Deglycosyl, 4-Me ether 	C31H37NO11	599.236661	NA	MeJP	NA	NA
+PJ007856	SPEMH 	C24H37N7O9S	599.2374	NA	PeJP	NA	NA
+PJ007857	TMYW 	C29H37N5O7S	599.2414	NA	PeJP	NA	NA
+PJ007858	STTEY 	C25H37N5O12	599.2439	NA	PeJP	NA	NA
+PJ007859	GVMMY 	C26H41N5O7S2	599.2448	NA	PeJP	NA	NA
+PJ007860	GSNHW 	C26H33N9O8	599.2452	NA	PeJP	NA	NA
+3090	gluten A5 exorphin	GYYPT	599.246	celiac toxic	Inhouse_peptide	NA	peptide
+PJ007861	GQQMH 	C23H37N9O8S	599.2486	NA	PeJP	NA	NA
+MJ084757	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1,9-dibenzoyl 	C35H37NO8	599.251917	NA	MeJP	NA	NA
+PJ007862	PPCHF 	C28H37N7O6S	599.2526	NA	PeJP	NA	NA
+PJ007863	SVEEH 	C24H37N7O11	599.2551	NA	PeJP	NA	NA
+PJ007864	MMRY 	C25H41N7O6S2	599.256	NA	PeJP	NA	NA
+PJ007865	GPTYY 	C29H37N5O9	599.2591	NA	PeJP	NA	NA
+PJ007866	GVDFY 	C29H37N5O9	599.2592	NA	PeJP	NA	NA
+PJ007867	GCQHR 	C22H37N11O7S	599.2598	NA	PeJP	NA	NA
+PJ007868	GGACHR 	C22H37N11O7S	599.2599	NA	PeJP	NA	NA
+PJ007869	SSLMY 	C26H41N5O9S	599.2625	NA	PeJP	NA	NA
+MJ084758	Spermidine; N,N''-Bis(4-hydroxycinnamoyl), N'-(3,4-dihydroxycinnamoyl) 	C34H37N3O7	599.26315	NA	MeJP	NA	NA
+MJ084759	Spermidine; N,N'-Bis(4-hydroxycinnamoyl), N''-(3,4-dihydroxycinnamoyl) 	C34H37N3O7	599.26315	NA	MeJP	NA	NA
+PJ007870	SNDKH 	C23H37N9O10	599.2664	NA	PeJP	NA	NA
+PJ007871	SPPNW 	C28H37N7O8	599.2704	NA	PeJP	NA	NA
+PJ007872	PPQQM 	C25H41N7O8S	599.2737	NA	PeJP	NA	NA
+PJ007873	ALEMH 	C25H41N7O8S	599.2738	NA	PeJP	NA	NA
+PJ007874	TFFW 	C33H37N5O6	599.2744	NA	PeJP	NA	NA
+PJ007875	SSNHR 	C22H37N11O9	599.2776	NA	PeJP	NA	NA
+PJ007876	GVMFF 	C30H41N5O6S	599.2778	NA	PeJP	NA	NA
+PJ007877	PPCQR 	C24H41N9O7S	599.285	NA	PeJP	NA	NA
+MJ084760	Phoslactomycin; Phoslactomycin A 	C29H46NO10P	599.285933	NA	MeJP	NA	NA
+PJ007878	MFFR 	C29H41N7O5S	599.289	NA	PeJP	NA	NA
+PJ007879	TTLEH 	C25H41N7O10	599.2915	NA	PeJP	NA	NA
+PJ007880	GLHHH 	C26H37N11O6	599.2929	NA	PeJP	NA	NA
+PJ007881	AALYY 	C30H41N5O8	599.2955	NA	PeJP	NA	NA
+PJ007882	GCKHR 	C23H41N11O6S	599.2962	NA	PeJP	NA	NA
+MJ084761	Lividomycin A; 4'''-Deglycosyl 	C23H45N5O13	599.301386	NA	MeJP	NA	NA
+MJ084762	Paromomycin; 5'''-Epimer, 6-deoxy 	C23H45N5O13	599.301386	NA	MeJP	NA	NA
+MJ084763	Paromomycin; 6-Deoxy 	C23H45N5O13	599.301386	NA	MeJP	NA	NA
+C18003	Lividomycin B	C23H45N5O13	599.3014	NA	KEGG	NA	NA
+PJ007883	APQER 	C24H41N9O9	599.3027	NA	PeJP	NA	NA
+PJ007884	GAAPER 	C24H41N9O9	599.3028	NA	PeJP	NA	NA
+PJ007885	GPLQW 	C29H41N7O7	599.3068	NA	PeJP	NA	NA
+C08677	Delphinine	C33H45NO9	599.3094	NA	KEGG	NA	NA
+MJ084764	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 13-Ac 	C33H45NO9	599.309432	NA	MeJP	NA	NA
+MJ084765	Isodelphinine 	C33H45NO9	599.309432	NA	MeJP	NA	NA
+PJ007886	SLLMH 	C26H45N7O7S	599.3101	NA	PeJP	NA	NA
+PJ007887	GAPPKM 	C26H45N7O7S	599.3102	NA	PeJP	NA	NA
+PJ007888	GPDRR 	C23H41N11O8	599.314	NA	PeJP	NA	NA
+PJ007889	PLLEE 	C27H45N5O10	599.3167	NA	PeJP	NA	NA
+PJ007890	AAPRW 	C28H41N9O6	599.318	NA	PeJP	NA	NA
+PJ007891	PPCKR 	C25H45N9O6S	599.3214	NA	PeJP	NA	NA
+EUR927	Lyso PE 24:6 [M+FA-H]-	C29H48NO7P	599.321722	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR927	Lyso PE 24:6 [M+FA-H]-	C29H48NO7P	599.321722	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR927	Lyso PE 24:6 [M+FA-H]-	C29H48NO7P	599.321722	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR927	Lyso PE 24:6 [M+FA-H]-	C29H48NO7P	599.321722	masses lipides attendues	Inhousejuil11	NA	NA
+MJ084766	Penitrem A; 10-Oxo, 11?,33-dihydro, 15-deoxy, dechloro 	C37H45NO6	599.324688	NA	MeJP	NA	NA
+MJ084767	Penitrem A; Dechloro 	C37H45NO6	599.324688	NA	MeJP	NA	NA
+PJ007892	PVQKE 	C26H45N7O9	599.3279	NA	PeJP	NA	NA
+PJ007893	APKER 	C25H45N9O8	599.3391	NA	PeJP	NA	NA
+PJ007894	GGGGPKK 	C25H45N9O8	599.3392	NA	PeJP	NA	NA
+PJ007895	GPLKW 	C30H45N7O6	599.3432	NA	PeJP	NA	NA
+PJ007896	PPKKM 	C27H49N7O6S	599.3465	NA	PeJP	NA	NA
+PJ007897	APTRR 	C24H45N11O7	599.3504	NA	PeJP	NA	NA
+3614	NA	RTPKV	599.362	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ007898	PVKKE 	C27H49N7O8	599.3643	NA	PeJP	NA	NA
+MJ084768	Icadamide B 	C31H53NO10	599.366946	NA	MeJP	NA	NA
+MJ084769	Tylonolide; 20-Alcohol, 5-O-(3,6-dideoxy-3-dimethylamino-?-D-glucopyranoside) 	C31H53NO10	599.366946	NA	MeJP	NA	NA
+PJ007899	SPLKR 	C26H49N9O7	599.3755	NA	PeJP	NA	NA
+PJ007900	GVLRR 	C25H49N11O6	599.3868	NA	PeJP	NA	NA
+PJ007901	LLLLE 	C29H53N5O8	599.3894	NA	PeJP	NA	NA
+EUR775	Lyso PC 22:1 [M+Na]+	C30H60NO7P	599.392688	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR775	Lyso PC 22:1 [M+Na]+	C30H60NO7P	599.392688	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR775	Lyso PC 22:1 [M+Na]+	C30H60NO7P	599.392688	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR775	Lyso PC 22:1 [M+Na]+	C30H60NO7P	599.392688	masses lipides attendues	Inhousejuil11	NA	NA
+PJ007902	LRRR 	C24H49N13O5	599.398	NA	PeJP	NA	NA
+PJ007903	VLLQK 	C28H53N7O7	599.4007	NA	PeJP	NA	NA
+MJ084770	N-[[4-(1,1-Dimethylethyl)phenyl]methyl]-N-methylleucyl-N-(1,1-dimethylethyl)-O-(phenylmethyl)tyrosinamide 	C38H53N3O3	599.408692	NA	MeJP	NA	NA
+PJ007904	ALLKR 	C27H53N9O6	599.4119	NA	PeJP	NA	NA
+PJ007905	VLLKK 	C29H57N7O6	599.4371	NA	PeJP	NA	NA
+MJ084771	3,3',4,4',5,5'-Hexabromo-2,2'-bi-1H-pyrrole 	C8H2Br6N2	599.531823	NA	MeJP	NA	NA
+MJ084772	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxyoctadecanoyl) 	C36H73NO5	599.548874	NA	MeJP	NA	NA
+MJ084773	Acalyphamide 	C40H73NO2	599.56413	NA	MeJP	NA	NA
+3971	ACE inhibitor (fragment of bovine a-La)	VGINYWLAHK	599.81545	MH2+	Inhouse_peptide	NA	peptide
+MJ084774	Oganomycin GA 	C23H24N2O13S2	600.07198	NA	MeJP	NA	NA
+MJ084775	3',4',5,7-Tetrahydroxyflavone; 7-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H24O15	600.11152	NA	MeJP	NA	NA
+MJ084776	Astragalin; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O15	600.11152	NA	MeJP	NA	NA
+MJ084777	Astragalin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O15	600.11152	NA	MeJP	NA	NA
+MJ084778	Isoorientin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O15	600.11152	NA	MeJP	NA	NA
+MJ084779	Populnin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O15	600.11152	NA	MeJP	NA	NA
+MJ084780	Quercitrin; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O15	600.11152	NA	MeJP	NA	NA
+MJ084781	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(2-O-Galloyl-?-D-galactopyranoside) 	C28H25O15(+)	600.11152	NA	MeJP	NA	NA
+MJ084782	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C28H25O15(+)	600.11152	NA	MeJP	NA	NA
+FL3FACCS0056	Isoorientin 2''-O-gallate	C28H24O15	600.11152	438000-11-4	knapsack	NA	NA
+FL3FACCS0062	Orientin 2''-O-gallate	C28H24O15	600.11152	438000-12-5	knapsack	NA	NA
+FL5FAAGA0029	Kaempferol 3-(6''-galloylgalactoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one	C28H24O15	600.11152	56317-06-7	knapsack	NA	NA
+FL5FAAGL0064	Kaempferol 3-(2''-galloylglucoside)	C28H24O15	600.11152	76343-90-3	knapsack	NA	NA
+FL5FAAGL0065	Kaempferol 3-(6''-galloylglucoside)	C28H24O15	600.11152	56317-05-6	knapsack	NA	NA
+FL5FAAGS0059	Kaempferol 7-(6''-galloylglucoside)	C28H24O15	600.11152	85933-23-9	knapsack	NA	NA
+FL5FACGS0050	Quercetin 3-(2''-galloylrhamnoside)	C28H24O15	600.11152	80229-08-9	knapsack	NA	NA
+MJ084783	Thermorubin A 	C32H24O12	600.126776	NA	MeJP	NA	NA
+PJ007906	GSCCCE 	C19H32N6O10S3	600.1342	NA	PeJP	NA	NA
+MJ084784	Nicofuranose 	C30H24N4O10	600.149243	NA	MeJP	NA	NA
+PJ007907	SCCCW 	C23H32N6O7S3	600.1495	NA	PeJP	NA	NA
+PJ007908	SSSCCD 	C19H32N6O12S2	600.152	NA	PeJP	NA	NA
+PJ007909	CCNMM 	C20H36N6O7S4	600.1529	NA	PeJP	NA	NA
+MJ084785	Anhydrophlegmacin-9,10-quinone A2; 3'-Hydroxy, 5'-Me ether 	C33H28O11	600.163161	NA	MeJP	NA	NA
+PJ007910	CCNDF 	C23H32N6O9S2	600.1672	NA	PeJP	NA	NA
+PJ007911	GGCCDF 	C23H32N6O9S2	600.1673	NA	PeJP	NA	NA
+PJ007912	GSTCCM 	C20H36N6O9S3	600.1706	NA	PeJP	NA	NA
+MJ084786	Paeoniflorin; 4''-Hydroxy, 6'-benzoyl 	C30H32O13	600.184291	NA	MeJP	NA	NA
+MJ084787	Paeoniflorin; 6'-(4-Hydroxybenzoyl) 	C30H32O13	600.184291	NA	MeJP	NA	NA
+MJ084788	Rutaretin, 1'-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C30H32O13	600.184291	NA	MeJP	NA	NA
+PJ007913	SCNDY 	C23H32N6O11S	600.185	NA	PeJP	NA	NA
+PJ007914	SSSSCM 	C20H36N6O11S2	600.1884	NA	PeJP	NA	NA
+MJ084789	2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 16-Deoxy, 16-chloro, 2,9,12,14-tetra-Ac 	C28H37ClO12	600.197354	NA	MeJP	NA	NA
+MJ084790	6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 2,9,12,14-Tetra-Ac 	C28H37ClO12	600.197354	NA	MeJP	NA	NA
+MJ084791	6-Chloro-11,20-epoxy-2,8,9,13,14-pentahydroxy-5(16)-briaren-18,7-olide; 2,9,13,14-Tetra-Ac 	C28H37ClO12	600.197354	NA	MeJP	NA	NA
+MJ084792	6-Chloro-4,8-epoxy-2,4,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 2,9,12,14-Tetra-Ac 	C28H37ClO12	600.197354	NA	MeJP	NA	NA
+MJ084793	1,2-Bis(2,4-dihydroxy-6-methoxybenzoyl)-3,4-bis(4-methoxyphenyl)cyclobutane 	C34H32O10	600.199547	NA	MeJP	NA	NA
+MJ084794	Calycopterone; O4-De-Me 	C34H32O10	600.199547	NA	MeJP	NA	NA
+MJ084795	Rubioncolin A 	C34H32O10	600.199547	NA	MeJP	NA	NA
+MJ084796	Polyoxin H 	C23H32N6O13	600.202735	NA	MeJP	NA	NA
+PJ007915	GCQMY 	C24H36N6O8S2	600.2036	NA	PeJP	NA	NA
+C11663	Loganin pentaacetate	C27H36O15	600.2054	NA	KEGG	NA	NA
+PJ007916	CNNNH 	C21H32N10O9S	600.2075	NA	PeJP	NA	NA
+PJ007917	SNDEH 	C22H32N8O12	600.214	NA	PeJP	NA	NA
+PJ007918	GCCRY 	C23H36N8O7S2	600.2149	NA	PeJP	NA	NA
+MJ084797	5,20-Epoxy-1,2,4,7,10,13,19-heptahydroxy-11-taxen-9-one, 13-Ketone, 2-benzoyl, 4,10-di-Ac 	C31H36O12	600.220676	NA	MeJP	NA	NA
+MJ084798	Aquayamycin; 12b-O-(2,3-Dideoxy-?-L-rhamnopyranoside) 	C31H36O12	600.220676	NA	MeJP	NA	NA
+MJ084799	Javanicinoside B; 16-Deglucosyl, 16-ketone 	C31H36O12	600.220676	NA	MeJP	NA	NA
+C12408	100-2	C31H36O12	600.2207	NA	KEGG	NA	NA
+PJ007919	SSNMY 	C24H36N6O10S	600.2214	NA	PeJP	NA	NA
+PJ007920	GSDHW 	C26H32N8O9	600.2293	NA	PeJP	NA	NA
+PJ007921	GQEMH 	C23H36N8O9S	600.2326	NA	PeJP	NA	NA
+MJ084800	Punaglandin 1; 17,18-Dihydro, 12-Ac 	C29H41ClO11	600.233739	NA	MeJP	NA	NA
+MJ084801	2-[4-(2,4-Decadienoyl)-2,6-dideoxy-?-D-arabino-hexopyranosyl]-1,6,10-trihydroxy-8-methyl-5,12-naphthacenedione 	C35H36O9	600.235932	NA	MeJP	NA	NA
+MJ084802	Antibiotic C 104; 6-Hydroxy 	C35H36O9	600.235932	NA	MeJP	NA	NA
+PJ007922	GCQFF 	C28H36N6O7S	600.2366	NA	PeJP	NA	NA
+PJ007923	GGACFF 	C28H36N6O7S	600.2367	NA	PeJP	NA	NA
+PJ007924	GSSSTY 	C24H36N6O12	600.2391	NA	PeJP	NA	NA
+PJ007925	GSPPDE 	C24H36N6O12	600.2392	NA	PeJP	NA	NA
+PJ007926	GCKMY 	C25H40N6O7S2	600.24	NA	PeJP	NA	NA
+PJ007927	GCEHR 	C22H36N10O8S	600.2439	NA	PeJP	NA	NA
+MJ084803	Paraensidimerine A; 1,2,10,11-Tetramethoxy, 16,16a-didehydro 	C34H36N2O8	600.247166	NA	MeJP	NA	NA
+PJ007928	QMHW 	C27H36N8O6S	600.2479	NA	PeJP	NA	NA
+PJ007929	STQEH 	C23H36N8O11	600.2504	NA	PeJP	NA	NA
+PJ007930	GNHHH 	C24H32N12O7	600.2517	NA	PeJP	NA	NA
+PJ007931	SPPDW 	C28H36N6O9	600.2544	NA	PeJP	NA	NA
+MJ084804	3,9-Dihydroxy-7-illuden-1-one, 9-[2-O-Acetyl-4-(p-hydroxy-E-cinnamoyl)-?-D-glucopyranoside] 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084805	3,9-Dihydroxy-7-illuden-1-one, 9-[2-O-Acetyl-4-(p-hydroxy-Z-cinnamoyl)-?-D-glucopyranoside] 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084806	6,14:8,14-Diepoxy-3,5,7,13,15,17-hexahydroxy-9-presegetanone, 3-Benzoyl, 5-angeloyl 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084807	Azadirachtanin 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084808	Cedrelanolide I 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084809	Detigloylswietenine; 2-Hydroxy, 3-tigloyl 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084810	Detigloylswietenine; 8?,30?-Epoxide, 3-propanoyl, 6-Ac 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084811	Estrone; O-(2,3,4,6-Tetra-O-acetyl-?-D-glucopyranoside) 	C32H40O11	600.257062	NA	MeJP	NA	NA
+MJ084812	Rohituka 5; 15-Deacetyl, 15-ketone 	C32H40O11	600.257062	NA	MeJP	NA	NA
+PJ007932	STCKY 	C25H40N6O9S	600.2578	NA	PeJP	NA	NA
+PJ007933	CHRW 	C26H36N10O5S	600.2591	NA	PeJP	NA	NA
+PJ007934	SSDHR 	C22H36N10O10	600.2616	NA	PeJP	NA	NA
+PJ007935	GTTHW 	C27H36N8O8	600.2656	NA	PeJP	NA	NA
+PJ007936	GGGGAPW 	C27H36N8O8	600.2657	NA	PeJP	NA	NA
+PJ007937	PPCER 	C24H40N8O8S	600.269	NA	PeJP	NA	NA
+MJ084813	1,2-Bis(3,4-dimethoxyphenyl)-3,4-bis(3,5-dimethoxyphenyl)cyclobutane 	C36H40O8	600.272318	NA	MeJP	NA	NA
+MJ084814	1,3-Bis(3,4-dimethoxyphenyl)-2,4-bis(3,5-dimethoxyphenyl)cyclobutane 	C36H40O8	600.272318	NA	MeJP	NA	NA
+PJ007938	APPMW 	C29H40N6O6S	600.273	NA	PeJP	NA	NA
+MJ084815	Metkefamide 	C29H40N6O6S	600.273003	NA	MeJP	NA	NA
+PJ007939	PVQEE 	C25H40N6O11	600.2755	NA	PeJP	NA	NA
+PJ007940	PPNHH 	C26H36N10O7	600.2769	NA	PeJP	NA	NA
+MJ084816	Javanicinoside L; 12-Ac 	C29H44O13	600.278191	NA	MeJP	NA	NA
+PJ007941	GTMHR 	C23H40N10O7S	600.2802	NA	PeJP	NA	NA
+PJ007942	KMHW 	C28H40N8O5S	600.2843	NA	PeJP	NA	NA
+PJ007943	APEER 	C24H40N8O10	600.2868	NA	PeJP	NA	NA
+PJ007944	GPLEW 	C29H40N6O8	600.2908	NA	PeJP	NA	NA
+MJ084817	Meliaquinal 	C33H44O10	600.293447	NA	MeJP	NA	NA
+PJ007945	PPKEM 	C26H44N6O8S	600.2942	NA	PeJP	NA	NA
+MJ084818	Aplysioviolin 	C34H40N4O6	600.294785	NA	MeJP	NA	NA
+MJ084819	Scutianine J 	C34H40N4O6	600.294785	NA	MeJP	NA	NA
+PJ007946	STTHR 	C23H40N10O9	600.298	NA	PeJP	NA	NA
+3251	beta-casomorphin-11 (60-70)	YPFPGPIPNSL	600.30145	MH2+	Inhouse_peptide	NA	peptide
+PJ007947	GPNKW 	C28H40N8O7	600.302	NA	PeJP	NA	NA
+MJ084820	Lycoctonine; 18-O-(2-Aminobenzoyl), 19-oxo 	C32H44N2O9	600.304681	NA	MeJP	NA	NA
+MJ084821	Ranaconine; O4-(2-Acetamidobenzoyl) 	C32H44N2O9	600.304681	NA	MeJP	NA	NA
+MJ084822	Sepaconitine; N-Ac 	C32H44N2O9	600.304681	NA	MeJP	NA	NA
+MJ084823	Streptolydigin 	C32H44N2O9	600.304681	NA	MeJP	NA	NA
+PJ007948	PPTMR 	C25H44N8O7S	600.3054	NA	PeJP	NA	NA
+PJ007949	PLWW 	C33H40N6O5	600.306	NA	PeJP	NA	NA
+MJ084824	Vilasinin; 1-Cinnamoyl, 3-Ac 	C37H44O7	600.308703	NA	MeJP	NA	NA
+MJ084825	Caracurine V; Nb-Oxide 	C38H40N4O3	600.310041	NA	MeJP	NA	NA
+MJ084826	N-[2-[[[1-[Methyl[(4-methylphenyl)acetyl]amino]-2-(2-naphthalenyl)ethyl]amino]carbonyl]cyclohexyl]-1H-indole-3-carboxamide 	C38H40N4O3	600.310041	NA	MeJP	NA	NA
+PJ007950	PVKEE 	C26H44N6O10	600.3119	NA	PeJP	NA	NA
+PJ007951	AAHFR 	C27H40N10O6	600.3133	NA	PeJP	NA	NA
+MJ084827	7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2-Angeloyl, 5,10-bis(2-methylpropanoyl), 4-Ac 	C30H48O12	600.314577	NA	MeJP	NA	NA
+MJ084828	7(14)-Bisabolene-1,2,3,4,5,8,10,11-octol; 2-Angeloyl, 5,8-bis(2-methylpropanoyl), 4-Ac 	C30H48O12	600.314577	NA	MeJP	NA	NA
+MJ084829	Tridiurecaine 	C31H44N4O8	600.315914	NA	MeJP	NA	NA
+MJ084830	Mooniine A 	C36H44N2O6	600.319937	NA	MeJP	NA	NA
+PJ007952	SPLER 	C25H44N8O9	600.3231	NA	PeJP	NA	NA
+PJ007953	GGPDKK 	C25H44N8O9	600.3232	NA	PeJP	NA	NA
+PJ007954	SPVLW 	C30H44N6O7	600.3272	NA	PeJP	NA	NA
+C11970	5-Oxoavermectin ''2a'' aglycone	C34H48O9	600.3298	NA	KEGG	NA	NA
+MJ084831	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16,25-Di-Ac 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084832	2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 22-Benzoyl 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084833	Daturametelin C; 21-Deoxy, O27-de-Me, 27-O-?-D-glucopyranoside 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084834	Milbemycin ?1; 26-O-(Propanoyloxy) 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084835	Petuniasterone D; 11?-Hydroxy, 12?-acetoxy, 7-Ac 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084836	Phebaloparvilactone 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084837	Sordaricin; O-[2-Methyl-2E,4E-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084838	Sordaricin; O-[2-Methyl-2E,4Z-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084839	Sordaricin; O-[2-Methyl-2Z,4E-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] 	C34H48O9	600.329833	NA	MeJP	NA	NA
+MJ084840	Sordaricin; O-[2-Methyl-2Z,4Z-hexadienoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] 	C34H48O9	600.329833	NA	MeJP	NA	NA
+PJ007955	PLLQM 	C27H48N6O7S	600.3305	NA	PeJP	NA	NA
+PJ007956	GAPLLM 	C27H48N6O7S	600.3306	NA	PeJP	NA	NA
+PJ007957	SPNKR 	C24H44N10O8	600.3344	NA	PeJP	NA	NA
+MJ084841	3-[3-[[Bis[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]-1H-indole-1-butanoic acid 	C40H44N2O3	600.335193	NA	MeJP	NA	NA
+MJ084842	Eisenia Inhibitory peptapeptides; EIPP 2 	C29H44N8O6	600.338381	NA	MeJP	NA	NA
+PJ007958	GLKHF 	C29H44N8O6	600.3384	NA	PeJP	NA	NA
+MJ084843	Delvestine; O1-Me 	C33H48N2O8	600.341066	NA	MeJP	NA	NA
+MJ084844	Lycoctonine; 18-O-(2-Methylaminobenzoyl) 	C33H48N2O8	600.341066	NA	MeJP	NA	NA
+PJ007959	PVVMR 	C26H48N8O6S	600.3418	NA	PeJP	NA	NA
+MJ084845	Gambogenin; 29-Deoxo 	C38H48O6	600.345089	NA	MeJP	NA	NA
+PJ007960	AAQRR 	C23H44N12O7	600.3456	NA	PeJP	NA	NA
+MJ084846	Divarine 	C39H44N4O2	600.346426	NA	MeJP	NA	NA
+MJ084847	Matopensine; 16-Methoxy, 16'-epimer 	C39H44N4O2	600.346426	NA	MeJP	NA	NA
+MJ084848	Monogagaine 	C39H44N4O2	600.346426	NA	MeJP	NA	NA
+MJ084849	Pseudovobparicine 	C39H44N4O2	600.346426	NA	MeJP	NA	NA
+MJ084850	Vobparicine 	C39H44N4O2	600.346426	NA	MeJP	NA	NA
+MJ084851	Nocardamine 	C27H48N6O9	600.348277	NA	MeJP	NA	NA
+PJ007961	VLLQE 	C27H48N6O9	600.3483	NA	PeJP	NA	NA
+MJ084852	15-Pimarene-7,8,11,20-tetrol, 7-O-?-D-Glucopyranoside, 20-(3-hydroxy-3-methylbutanoyl) 	C31H52O11	600.350962	NA	MeJP	NA	NA
+PJ007962	NRRR 	C22H44N14O6	600.3569	NA	PeJP	NA	NA
+PJ007963	ALLER 	C26H48N8O8	600.3595	NA	PeJP	NA	NA
+PJ007964	GLLLW 	C31H48N6O6	600.3636	NA	PeJP	NA	NA
+C09157	Phorbol 12-tiglate 13-decanoate	C35H52O8	600.3662	NA	KEGG	NA	NA
+MJ084853	3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone, 3-O-?-L-arabinopyranoside 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084854	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3,23-Di-Ac, 28-Me ester 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084855	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Decanoyl, 12-tigloyl 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084856	Cimicinol 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084857	Milbemycin IV; 22?, 27-Dihydroxy, O5-Me 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084858	Milbemycin IV; 6,22?-Dihydroxy, O5-Me 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084859	Onchitriol I; 4,13-Diepimer, 15-propanoyl 	C35H52O8	600.366218	NA	MeJP	NA	NA
+MJ084860	Vilangin 	C35H52O8	600.366218	NA	MeJP	NA	NA
+PJ007965	PLLKM 	C28H52N6O6S	600.3669	NA	PeJP	NA	NA
+PJ007966	GLQKR 	C25H48N10O7	600.3708	NA	PeJP	NA	NA
+MJ084861	3,13-Dihydroxy-11-ursen-28-oic acid, 28?13-Lactone, 3-O-(p-hydroxycinnamoyl) 	C39H52O5	600.381474	NA	MeJP	NA	NA
+MJ084862	3-Hydroxy-7,9(11)-multifloradien-29-oic acid; 3?-form, 3-(4-Hydroxycinnamoyl) 	C39H52O5	600.381474	NA	MeJP	NA	NA
+PJ007967	AAKRR 	C24H48N12O6	600.382	NA	PeJP	NA	NA
+PJ007968	VLLKE 	C28H52N6O8	600.3847	NA	PeJP	NA	NA
+MJ084863	Cholestane-3,4,6,8,15,24-hexol, 24-O-?-L-Arabinofuranoside 	C32H56O10	600.387348	NA	MeJP	NA	NA
+MJ084864	Cholestane-3,4,6,8,15,26-hexol, 26-O-?-D-Xylopyranoside 	C32H56O10	600.387348	NA	MeJP	NA	NA
+MJ084865	Sansalvamide; N9-Me 	C33H52N4O6	600.388685	NA	MeJP	NA	NA
+PJ007969	SLLLR 	C27H52N8O7	600.3959	NA	PeJP	NA	NA
+MJ084866	21,23-Epoxy-4,7-dihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methyl-3E-pentenoyl) 	C36H56O7	600.402604	NA	MeJP	NA	NA
+PJ007970	GLKKR 	C26H52N10O6	600.4072	NA	PeJP	NA	NA
+MJ084867	Fusarochromanone; 3'-N-Ac, 4'-O-(16-methylheptadecanoyl) 	C35H56N2O6	600.413837	NA	MeJP	NA	NA
+HMDB03020	Neoxanthin	C40H56O4	600.417847	NA	HMDB2010	NA	NA
+HMDB03101	Violaxanthin	C40H56O4	600.417847	NA	HMDB2010	NA	NA
+HMDB03020	Neoxanthin	C40H56O4	600.41785	http://www.hmdb.ca/metabolites/HMDB03020	HMDB	NA	NA
+HMDB03101	Violaxanthin	C40H56O4	600.41785	http://www.hmdb.ca/metabolites/HMDB03101	HMDB	NA	NA
+HMDB03020	Neoxanthin	C40H56O4	600.41785	HMDB03020	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03101	Violaxanthin	C40H56O4	600.41785	HMDB03101	PFEM_hmdb_metabocards_official	NA	NA
+MJ084868	3,6-Epoxy-5,6-dihydro-3',5-dihydroxy-?,?-caroten-6'-one 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084869	3,6-Epoxy-5,6-dihydro-5-hydroxy-?,?-caroten-6'-one 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084870	?-Carotenone 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084871	Auroxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084872	Capsanthin; 5?,6?-Epoxide 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084873	Capsochrome 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084874	Capsoneoxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084875	Capsorubin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084876	Crustaxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084877	Cucurbitaxanthin A; 5'?,6'?-Epoxide 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084878	Cunninghamic acid A 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084879	Cyclodione 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084880	Cycloviolaxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084881	Heteroxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084882	Lilixanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084883	Mimulaxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084884	Neoxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084885	Nostoxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084886	Prasinoxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084887	Prepasinoxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084888	Salmoxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084889	Siphonaxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084890	Trollichrome 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084891	Violaxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084892	Webbiaxanthin 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MJ084893	2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone 	C40H56O4	600.41786	NA	MeJP	NA	NA
+MetaCyc03950	9'-cis-neoxanthin [9cNeox;9c-neoxanthin;9'-cis-neoxanthin;]	C40H56O4	600.41786	NA	metacyc	NA	NA
+MetaCyc03951	trans-neoxanthin []	C40H56O4	600.41786	NA	metacyc	NA	NA
+MetaCyc03952	violaxanthin [5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-&beta;,&beta;-carotene-3,3'-diol;]	C40H56O4	600.41786	NA	metacyc	NA	NA
+MetaCyc03953	capsanthin-5,6-epoxide []	C40H56O4	600.41786	NA	metacyc	NA	NA
+MetaCyc03954	9-cis-violaxanthin [9-c-violaxanthin;9cViol;]	C40H56O4	600.41786	NA	metacyc	NA	NA
+C08585	Capsorubin	C40H56O4	600.4179	NA	KEGG	NA	NA
+C08606	Neoxanthin	C40H56O4	600.4179	NA	KEGG	NA	NA
+C08614	Violaxanthin	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13431	9'-cis-Neoxanthin	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13432	Transferred to D01942	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13433	9-cis-Violaxanthin	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13434	Transferred to D01943	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13435	Transferred to D01944	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13436	Transferred to D01945	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13437	Transferred to D01946	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13438	Transferred to D01947	C40H56O4	600.4179	NA	KEGG	NA	NA
+C13439	Transferred to D01948	C40H56O4	600.4179	NA	KEGG	NA	NA
+C15932	4-Hydroxymyxol	C40H56O4	600.4179	NA	KEGG	NA	NA
+C16274	(2S,2'S)-Oscillol	C40H56O4	600.4179	NA	KEGG	NA	NA
+C16284	Nostoxanthin	C40H56O4	600.4179	NA	KEGG	NA	NA
+PJ007971	VVKKK 	C28H56N8O6	600.4323	NA	PeJP	NA	NA
+MJ084894	12-Oleanene-3,16,22,28-tetrol, 22-(2-Methylbutanoyl), 16-Ac 	C37H60O6	600.438989	NA	MeJP	NA	NA
+C15905	Hydroxyspheroidenone	C41H60O3	600.4542	NA	KEGG	NA	NA
+C15906	Glucose-dependent insulinotropic peptide	C41H60O3	600.4542	NA	KEGG	NA	NA
+MJ084895	24-Ethyl-4,14,24-trimethyl-9,19-cyclocholest-25-en-3-ol, 3-(4-Hydroxyphenyl-2Z-propenoyl) 	C41H60O3	600.454245	NA	MeJP	NA	NA
+MJ084896	Spheroidenone; 1',2'-Dihydro, 1'-hydroxy 	C41H60O3	600.454245	NA	MeJP	NA	NA
+MJ084897	Thiothece-OH 484 	C41H60O3	600.454245	NA	MeJP	NA	NA
+HMDB07085	DG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C38H64O5	600.475403	NA	HMDB2010	NA	NA
+HMDB07561	DG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/0:0)	C38H64O5	600.475403	NA	HMDB2010	NA	NA
+C15888	3,4,3',4'-Tetrahydrospirilloxanthin	C42H64O2	600.4906	NA	KEGG	NA	NA
+C15889	Dermaseptin	C42H64O2	600.4906	NA	KEGG	NA	NA
+C15890	Endomorphin-1	C42H64O2	600.4906	NA	KEGG	NA	NA
+C15891	Endomorphin-2	C42H64O2	600.4906	NA	KEGG	NA	NA
+MJ084898	1,1',2,2'-Tetrahydro-1,1'-dihydroxylycopene; Di-Me ether 	C42H64O2	600.490631	NA	MeJP	NA	NA
+MJ084899	Methoxyspheroidene 	C42H64O2	600.490631	NA	MeJP	NA	NA
+MJ084900	3-(3,4-Dihydroxyphenyl)-2-propenoic acid, Triacontyl ester 	C39H68O4	600.51176	NA	MeJP	NA	NA
+MJ084901	Norsolanesene 	C44H72	600.563402	NA	MeJP	NA	NA
+7474	coeliac toxic peptide	VLKVGGTSDVEV	600.81995	MH2+	Inhouse_peptide	NA	peptide
+MJ084902	7-[2-(2-Amino-5-chlorothiazol-4-yl)-2-(hydroxyimino)acetamido]-3-[3-(aminoethylthiomethyl)pyrid-4-ylthio]-3-cephem-4-carboxylic acid 	C20H20ClN7O5S4	601.009727	NA	MeJP	NA	NA
+C11436	2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol	C14H26N3O17P3	601.0475	NA	KEGG	NA	NA
+MetaCyc03955	2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol [CDP-ME-2P;CDP-methyl-D-erylthritol 2-phosphate;4-diphosphocytidyl-2C-methyl-D-erythritol 2-phosphate;4-diphosphocytidyl-2-C-methylerythritol 2-phosphate;]	C14H26N3O17P3	601.047506	NA	metacyc	NA	NA
+PJ007972	GCCCCN 	C18H31N7O8S4	601.1117	NA	PeJP	NA	NA
+FL7AACGA0006	Cyanidin 3-(2''-galloylgalactoside)	C28H25O15	601.11934	142609-12-9	knapsack	NA	NA
+FL7AACGL0028	Cyanidin 3-(2''-galloylglucoside)	C28H25O15	601.11934	140447-90-1	knapsack	NA	NA
+PJ007973	CCDMM 	C20H35N5O8S4	601.1369	NA	PeJP	NA	NA
+PJ007974	CCDDF 	C23H31N5O10S2	601.1513	NA	PeJP	NA	NA
+PJ007975	CCCHH 	C21H31N9O6S3	601.156	NA	PeJP	NA	NA
+MJ084903	Aristolactam I; N-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C32H27NO11	601.15841	NA	MeJP	NA	NA
+MJ084904	Ladirubicin 	C29H31NO11S	601.161781	NA	MeJP	NA	NA
+PJ007976	SCDDY 	C23H31N5O12S	601.169	NA	PeJP	NA	NA
+PJ007977	SCMMM 	C21H39N5O7S4	601.1732	NA	PeJP	NA	NA
+PJ007978	GCEMY 	C24H35N5O9S2	601.1876	NA	PeJP	NA	NA
+PJ007979	CNNDH 	C21H31N9O10S	601.1915	NA	PeJP	NA	NA
+PJ007980	SDDEH 	C22H31N7O13	601.198	NA	PeJP	NA	NA
+PJ007981	PCDMH 	C23H35N7O8S2	601.1989	NA	PeJP	NA	NA
+PJ007982	CMYW 	C28H35N5O6S2	601.2029	NA	PeJP	NA	NA
+PJ007983	SSDMY 	C24H35N5O11S	601.2054	NA	PeJP	NA	NA
+PJ007984	ACMMF 	C25H39N5O6S3	601.2063	NA	PeJP	NA	NA
+MJ084905	Ecteinascidin 597; N-De-Me 	C29H35N3O9S	601.2094	NA	MeJP	NA	NA
+PJ007985	GEEMH 	C23H35N7O10S	601.2166	NA	PeJP	NA	NA
+PJ007986	GGGPPCD 	C23H35N7O10S	601.2167	NA	PeJP	NA	NA
+PJ007987	GPCYY 	C28H35N5O8S	601.2207	NA	PeJP	NA	NA
+PJ007988	GTMMY 	C25H39N5O8S2	601.224	NA	PeJP	NA	NA
+PJ007989	SNNMH 	C22H35N9O9S	601.2279	NA	PeJP	NA	NA
+PJ007990	EMHW 	C27H35N7O7S	601.2319	NA	PeJP	NA	NA
+PJ007991	STEEH 	C23H35N7O12	601.2344	NA	PeJP	NA	NA
+MJ084906	5,6-Didehydrocalotropin 3'-thiazolidinone 	C31H39NO9S	601.234552	NA	MeJP	NA	NA
+MJ084907	Uscharin; 3'-Oxo, 5,6-didehydro, 3',4'-dihydro 	C31H39NO9S	601.234552	NA	MeJP	NA	NA
+PJ007992	SPMMH 	C24H39N7O7S2	601.2353	NA	PeJP	NA	NA
+PJ007993	GDHHH 	C24H31N11O8	601.2357	NA	PeJP	NA	NA
+PJ007994	CFFW 	C32H35N5O5S	601.2359	NA	PeJP	NA	NA
+PJ007995	QEYY 	C28H35N5O10	601.2384	NA	PeJP	NA	NA
+PJ007996	STTMY 	C25H39N5O10S	601.2418	NA	PeJP	NA	NA
+PJ007997	GSSSQH 	C22H35N9O11	601.2456	NA	PeJP	NA	NA
+PJ007998	GGGGGGGSP 	C22H35N9O11	601.2457	NA	PeJP	NA	NA
+PJ007999	SPDHF 	C27H35N7O9	601.2496	NA	PeJP	NA	NA
+PJ008000	GPNEW 	C27H35N7O9	601.2497	NA	PeJP	NA	NA
+PJ008001	SVEMH 	C24H39N7O9S	601.253	NA	PeJP	NA	NA
+PJ008002	AYYW 	C32H35N5O7	601.2537	NA	PeJP	NA	NA
+PJ008003	AAMFY 	C29H39N5O7S	601.257	NA	PeJP	NA	NA
+MJ084908	4-[[1-[[4-(Aminoiminomethyl)phenyl]methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-4-oxobutanoic acid 	C29H39N5O7S	601.257019	NA	MeJP	NA	NA
+PJ008004	PVEEE 	C25H39N5O12	601.2596	NA	PeJP	NA	NA
+PJ008005	GNQHF 	C26H35N9O8	601.2609	NA	PeJP	NA	NA
+PJ008006	SCQKH 	C23H39N9O8S	601.2642	NA	PeJP	NA	NA
+PJ008007	GGTCKH 	C23H39N9O8S	601.2643	NA	PeJP	NA	NA
+PJ008008	PNWW 	C31H35N7O6	601.2649	NA	PeJP	NA	NA
+PJ008009	APMHF 	C28H39N7O6S	601.2683	NA	PeJP	NA	NA
+3275	NA	RGDSPA	601.2699	celiac toxic	Inhouse_peptide	NA	peptide
+PJ008010	PNDKE 	C24H39N7O11	601.2708	NA	PeJP	NA	NA
+PJ008011	ALMMH 	C25H43N7O6S2	601.2716	NA	PeJP	NA	NA
+PJ008012	VCLMH 	C25H43N7O6S2	601.2717	NA	PeJP	NA	NA
+PJ008013	ATHHH 	C25H35N11O7	601.2721	NA	PeJP	NA	NA
+PJ008014	KEYY 	C29H39N5O9	601.2748	NA	PeJP	NA	NA
+PJ008015	SPNER 	C23H39N9O10	601.282	NA	PeJP	NA	NA
+PJ008016	GPDKW 	C28H39N7O8	601.286	NA	PeJP	NA	NA
+MJ084909	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O6,O16,O18,N-Tetra-Me, 14-benzoyl, 8-Ac 	C32H43NO10	601.288696	NA	MeJP	NA	NA
+PJ008017	TTLMH 	C25H43N7O8S	601.2894	NA	PeJP	NA	NA
+PJ008018	AAFFF 	C33H39N5O6	601.2901	NA	PeJP	NA	NA
+PJ008019	GNQQR 	C22H39N11O9	601.2932	NA	PeJP	NA	NA
+PJ008020	GGGQQR 	C22H39N11O9	601.2933	NA	PeJP	NA	NA
+MJ084910	Penitrem C 	C37H44ClNO4	601.295886	NA	MeJP	NA	NA
+PJ008021	GSPRW 	C27H39N9O7	601.2973	NA	PeJP	NA	NA
+7025	synthetic peptide from alpha-gliadin	SQCQAIHNVVHA	601.30045	MH2+	Inhouse_peptide	NA	peptide
+PJ008022	APQMR 	C24H43N9O7S	601.3006	NA	PeJP	NA	NA
+PJ008023	GAAPMR 	C24H43N9O7S	601.3007	NA	PeJP	NA	NA
+PJ008024	LHFW 	C32H39N7O5	601.3013	NA	PeJP	NA	NA
+PJ008025	PTQKE 	C25H43N7O10	601.3072	NA	PeJP	NA	NA
+PJ008026	PPLEF 	C30H43N5O8	601.3112	NA	PeJP	NA	NA
+PJ008027	APCRR 	C23H43N11O6S	601.3119	NA	PeJP	NA	NA
+7678	ACE inhibitor from dried bonito	LKPMN	601.3133	antioxidative	Inhouse_peptide	NA	peptide
+MJ084911	Antibiotic BE 19093 	C27H47N5O8S	601.314534	NA	MeJP	NA	NA
+MJ084912	Matlystatin A1 	C27H47N5O8S	601.314534	NA	MeJP	NA	NA
+PJ008028	PLLEM 	C27H47N5O8S	601.3146	NA	PeJP	NA	NA
+PJ008029	GLQER 	C24H43N9O9	601.3184	NA	PeJP	NA	NA
+PJ008030	APTKW 	C29H43N7O7	601.3224	NA	PeJP	NA	NA
+MJ084913	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-Methoxybenzoyl) 	C33H47NO9	601.325082	NA	MeJP	NA	NA
+MJ084914	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O8,O16,O18-Penta-Me, N-Et, 14-benzoyl 	C33H47NO9	601.325082	NA	MeJP	NA	NA
+PJ008031	PVQKM 	C26H47N7O7S	601.3258	NA	PeJP	NA	NA
+PJ008032	AAERR 	C23H43N11O8	601.3296	NA	PeJP	NA	NA
+PJ008033	GGGGAKR 	C23H43N11O8	601.3297	NA	PeJP	NA	NA
+PJ008034	VLLEE 	C27H47N5O10	601.3323	NA	PeJP	NA	NA
+MJ084915	Pyroglutamylleucylglycylargininylphenylalaninamide 	C28H43N9O6	601.33363	NA	MeJP	NA	NA
+PJ008035	LQRW 	C28H43N9O6	601.3337	NA	PeJP	NA	NA
+2629	synthetic fr,of human beta-CN (48-52) ACE inhibitor	PLIYP	601.335	NA	Inhouse_peptide	NA	peptide
+PJ008036	APKMR 	C25H47N9O6S	601.337	NA	PeJP	NA	NA
+EUR768	Lyso PC 20:5 [M-H+acetate]-	C28H48NO7P	601.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR768	Lyso PC 20:5 [M-H+acetate]-	C28H48NO7P	601.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR768	Lyso PC 20:5 [M-H+acetate]-	C28H48NO7P	601.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR768	Lyso PC 20:5 [M-H+acetate]-	C28H48NO7P	601.337942	masses lipides attendues	Inhousejuil11	NA	NA
+MJ084916	Penitremone C; 23,24-Epoxide 	C37H47NO6	601.340338	NA	MeJP	NA	NA
+MJ084917	Shearinine C; 1'-Deoxy, 1',2'-didehydro, 3?-alcohol 	C37H47NO6	601.340338	NA	MeJP	NA	NA
+PJ008037	DRRR 	C22H43N13O7	601.3409	NA	PeJP	NA	NA
+PJ008038	PTKKE 	C26H47N7O9	601.3435	NA	PeJP	NA	NA
+PJ008039	VVQKE 	C26H47N7O9	601.3436	NA	PeJP	NA	NA
+PJ008040	PPLLY 	C31H47N5O7	601.3476	NA	PeJP	NA	NA
+MJ084918	Toxiferine XII 	C39H46N4O2(+)	601.354251	NA	MeJP	NA	NA
+PJ008041	GLKER 	C25H47N9O8	601.3548	NA	PeJP	NA	NA
+MJ084919	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Leucine analogue 	C30H47N7O6	601.358782	NA	MeJP	NA	NA
+PJ008042	GVLKW 	C30H47N7O6	601.3588	NA	PeJP	NA	NA
+PJ008043	PVKKM 	C27H51N7O6S	601.3622	NA	PeJP	NA	NA
+PJ008044	GTLRR 	C24H47N11O7	601.366	NA	PeJP	NA	NA
+PJ008045	LKRW 	C29H47N9O5	601.37	NA	PeJP	NA	NA
+PJ008046	VVKKE 	C27H51N7O8	601.3799	NA	PeJP	NA	NA
+PJ008047	PLLLF 	C32H51N5O6	601.384	NA	PeJP	NA	NA
+PJ008048	LLLLM 	C29H55N5O6S	601.3873	NA	PeJP	NA	NA
+PJ008049	SVLKR 	C26H51N9O7	601.3912	NA	PeJP	NA	NA
+EUR770	Lyso PC 22:0 [M+Na]+	C30H62NO7P	601.408338	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR770	Lyso PC 22:0 [M+Na]+	C30H62NO7P	601.408338	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR770	Lyso PC 22:0 [M+Na]+	C30H62NO7P	601.408338	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR770	Lyso PC 22:0 [M+Na]+	C30H62NO7P	601.408338	masses lipides attendues	Inhousejuil11	NA	NA
+PJ008050	TLLKK 	C28H55N7O7	601.4163	NA	PeJP	NA	NA
+PJ008051	AKKKK 	C27H55N9O6	601.4276	NA	PeJP	NA	NA
+8091	peptide derived from bovine aS2-casein	NIQFNEQKAL	601.8054	MH2+	Inhouse_peptide	NA	peptide
+MJ084920	Aplysillin A 	C16H12Br2O11S2	601.818777	NA	MeJP	NA	NA
+MJ084921	Hydrotalcite 	CH24Al2Mg6O23	601.944165	NA	MeJP	NA	NA
+MJ084922	Bis(?-acetato-O,O)bis(2-formylpyridine thiosemicarbazonato-N,N',S)dicopper(II) 	C18H20Cu2N8O4S2	601.964094	NA	MeJP	NA	NA
+C10242	Terminalin	C28H10O16	601.9969	NA	KEGG	NA	NA
+MJ084923	Fazadinium(2+); Dibromide 	C28H24Br2N6	602.04292	NA	MeJP	NA	NA
+MJ084924	2,3,4-Trihydroxybutanoic acid, 4-O-(3,4-Dihydroxy-E-cinnamoyl), 2,3-bis-O-(3,4,5-trihydroxybenzoyl) 	C27H22O16	602.090783999999	NA	MeJP	NA	NA
+PJ008052	GCCCCD 	C18H30N6O9S4	602.0957	NA	PeJP	NA	NA
+MJ084925	Vitisidin A; 3-O-(O-Acetyl-?-D-glucopyranoside) 	C28H27O15(+)	602.12717	NA	MeJP	NA	NA
+FL2FACGS0019	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)	C28H26O15	602.12717	467437-60-1	knapsack	NA	NA
+PJ008053	GSCCCM 	C19H34N6O8S4	602.1321	NA	PeJP	NA	NA
+MJ084926	Erythritol; Tetrakis(4-hydroxybenzoyl) 	C32H26O12	602.142426	NA	MeJP	NA	NA
+PJ008054	SSTCCC 	C19H34N6O10S3	602.1499	NA	PeJP	NA	NA
+MJ084927	3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C29H30O14	602.163555	NA	MeJP	NA	NA
+MJ084928	Swertiamarin; 2'-O-(3,3',5-Trihydroxy-2-biphenylcarbonyl) 	C29H30O14	602.163555	NA	MeJP	NA	NA
+C17519	Amaroswerin	C29H30O14	602.1636	NA	KEGG	NA	NA
+PJ008055	CCCQF 	C23H34N6O7S3	602.1651	NA	PeJP	NA	NA
+MJ084929	2-Hydroxy-1,2,4-butanetricarboxylic acid, O-[?-D-Ribofuranosyl-(1?2)-?-D-ribofuranosyl-(1?3)-?-D-ribofuranoside] 	C22H34O19	602.169428	NA	MeJP	NA	NA
+PJ008056	CNDDH 	C21H30N8O11S	602.1755	NA	PeJP	NA	NA
+MJ084930	Dermocanarin 8 	C33H30O11	602.178811	NA	MeJP	NA	NA
+PJ008057	SCCQY 	C23H34N6O9S2	602.1829	NA	PeJP	NA	NA
+PJ008058	GSPCCH 	C22H34N8O8S2	602.1941	NA	PeJP	NA	NA
+MJ084931	Picrotoxinin; Compd. with picrotin (1:1) 	C30H34O13	602.199941	NA	MeJP	NA	NA
+PJ008059	GSSSCY 	C23H34N6O11S	602.2006	NA	PeJP	NA	NA
+PJ008060	GPPCDD 	C23H34N6O11S	602.2007	NA	PeJP	NA	NA
+PJ008061	CCCKF 	C24H38N6O6S3	602.2015	NA	PeJP	NA	NA
+MJ084932	Tipranavir 	C31H33F3N2O5S	602.206227	NA	MeJP	NA	NA
+C05928	10-Formyltetrahydrofolyl L-glutamate	C25H30N8O10	602.2085	NA	KEGG	NA	NA
+C05929	10-Formyltetrahydrofolylpolyglutamate	C25H30N8O10	602.2085	NA	KEGG	NA	NA
+C05930	Poly-L-glutamate	C10H16N2O7	602.2085	NA	KEGG	NA	NA
+PJ008062	SNDMH 	C22H34N8O10S	602.2119	NA	PeJP	NA	NA
+MJ084933	20-Chloro-7,8:17,18-diepoxy-10(17),13-xenicadiene-1,6,11,12,18,19-hexol; 11,12,18,19-Tetra-Ac 	C28H39ClO12	602.213004	NA	MeJP	NA	NA
+MJ084934	12-Hydroxydaphnetoxin; 12?-form, 12-Benzoyl 	C34H34O10	602.215197	NA	MeJP	NA	NA
+MJ084935	Singueanol I 	C34H34O10	602.215197	NA	MeJP	NA	NA
+PJ008063	GCNFY 	C27H34N6O8S	602.2159	NA	PeJP	NA	NA
+PJ008064	PNDEE 	C23H34N6O13	602.2184	NA	PeJP	NA	NA
+PJ008065	SCCKY 	C24H38N6O8S2	602.2193	NA	PeJP	NA	NA
+MJ084936	Frameroside 	C27H38O15	602.22107	NA	MeJP	NA	NA
+MJ084937	Mexoticin, 3'-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H38O15	602.22107	NA	MeJP	NA	NA
+PJ008066	EEYY 	C28H34N4O11	602.2224	NA	PeJP	NA	NA
+PJ008067	GTCHW 	C26H34N8O7S	602.2271	NA	PeJP	NA	NA
+PJ008068	GSSSEH 	C22H34N8O12	602.2296	NA	PeJP	NA	NA
+PJ008069	GGGSPND 	C22H34N8O12	602.2297	NA	PeJP	NA	NA
+PJ008070	GQMMH 	C23H38N8O7S2	602.2305	NA	PeJP	NA	NA
+PJ008071	GPDEW 	C27H34N6O10	602.2337	NA	PeJP	NA	NA
+FL2F9AGI0001	5,4'-Dihydroxy-6-C-prenylflavanone 4'-xylosyl-(1->2)-rhamnoside	C31H38O12	602.23632	316363-85-6	knapsack	NA	NA
+MJ084938	5,20-Epoxy-1,2,4,7,10,13,19-heptahydroxy-11-taxen-9-one, 2-Benzoyl, 4,10-di-Ac 	C31H38O12	602.236326	NA	MeJP	NA	NA
+PJ008072	GSPPDM 	C24H38N6O10S	602.237	NA	PeJP	NA	NA
+PJ008073	NNNNQ 	C21H34N10O11	602.2409	NA	PeJP	NA	NA
+MJ084939	Glycobismine A 	C37H34N2O6	602.241686	NA	MeJP	NA	NA
+C10685	Glycobismine A	C37H34N2O6	602.2417	NA	KEGG	NA	NA
+PJ008074	GCMHR 	C22H38N10O6S2	602.2418	NA	PeJP	NA	NA
+PJ008075	SSSHW 	C26H34N8O9	602.2449	NA	PeJP	NA	NA
+PJ008076	STQMH 	C23H38N8O9S	602.2483	NA	PeJP	NA	NA
+PJ008077	PDWW 	C31H34N6O7	602.2489	NA	PeJP	NA	NA
+PJ008078	PPTCW 	C28H38N6O7S	602.2523	NA	PeJP	NA	NA
+PJ008079	PTQEE 	C24H38N6O12	602.2548	NA	PeJP	NA	NA
+PJ008080	PPQMM 	C25H42N6O7S2	602.2557	NA	PeJP	NA	NA
+MJ084940	Lymecycline 	C29H38N4O10	602.258793	NA	MeJP	NA	NA
+PJ008081	STCHR 	C22H38N10O8S	602.2595	NA	PeJP	NA	NA
+PJ008082	NHFW 	C30H34N8O6	602.2602	NA	PeJP	NA	NA
+MJ084941	Araliopdimerine A 	C34H38N2O8	602.262816	NA	MeJP	NA	NA
+MJ084942	Paraensidimerine A; 1,2,10,11-Tetramethoxy 	C34H38N2O8	602.262816	NA	MeJP	NA	NA
+MJ084943	Paraensidimerine A; 16a-Epimer, 1,2,10,11-tetramethoxy 	C34H38N2O8	602.262816	NA	MeJP	NA	NA
+MJ084944	Vepridimerine C 	C34H38N2O8	602.262816	NA	MeJP	NA	NA
+MJ084945	Vincamajine; 10-Hydroxy, O-(3,4,5-trimethoxycinnamoyl) 	C34H38N2O8	602.262816	NA	MeJP	NA	NA
+PJ008083	SPDER 	C23H38N8O11	602.266	NA	PeJP	NA	NA
+PJ008084	GGGGGGLE 	C23H38N8O11	602.2661	NA	PeJP	NA	NA
+PJ008085	PPCMR 	C24H42N8O6S2	602.2669	NA	PeJP	NA	NA
+MJ084946	Copper tetramibi tetrafluoroborate 	C24H44BCuF4N4O4	602.268775	NA	MeJP	NA	NA
+PJ008086	APTEW 	C28H38N6O9	602.27	NA	PeJP	NA	NA
+PJ008087	SPVDW 	C28H38N6O9	602.2701	NA	PeJP	NA	NA
+MJ084947	Amoorastatone; 12?-Hydroxy, 29-(2-methylpropanoyl) 	C32H42O11	602.272712	NA	MeJP	NA	NA
+MJ084948	Buchaninoside 	C32H42O11	602.272712	NA	MeJP	NA	NA
+MJ084949	Khivorin; 11?-Hydroxy 	C32H42O11	602.272712	NA	MeJP	NA	NA
+MJ084950	Taccalonolide G 	C32H42O11	602.272712	NA	MeJP	NA	NA
+MJ084951	Trichilin B; 12-Deoxy, 2-O-de-Ac, 29-deacyl, 29-(2-methylpropenoyl) 	C32H42O11	602.272712	NA	MeJP	NA	NA
+MJ084952	Volkensinin 	C32H42O11	602.272712	NA	MeJP	NA	NA
+PJ008088	PVQEM 	C25H42N6O9S	602.2734	NA	PeJP	NA	NA
+PJ008089	GNQER 	C22H38N10O10	602.2773	NA	PeJP	NA	NA
+PJ008090	AAQQW 	C27H38N8O8	602.2813	NA	PeJP	NA	NA
+MJ084953	15-Anhydrothyrsiferol; ?15(28)-Isomer, 16?-hydroxy 	C30H51BrO7	602.281816	NA	MeJP	NA	NA
+MJ084954	Callicladol 	C30H51BrO7	602.281816	NA	MeJP	NA	NA
+PJ008091	STKMH 	C24H42N8O8S	602.2846	NA	PeJP	NA	NA
+PJ008092	APEMR 	C24H42N8O8S	602.2847	NA	PeJP	NA	NA
+PJ008093	GPPFW 	C32H38N6O6	602.2853	NA	PeJP	NA	NA
+MJ084955	Ohchinin 	C36H42O8	602.287968	NA	MeJP	NA	NA
+MJ084956	Sarothralin G 	C36H42O8	602.287968	NA	MeJP	NA	NA
+PJ008094	GPLMW 	C29H42N6O6S	602.2887	NA	PeJP	NA	NA
+PJ008095	PTKEE 	C25H42N6O11	602.2912	NA	PeJP	NA	NA
+PJ008096	PPKMM 	C26H46N6O6S2	602.2921	NA	PeJP	NA	NA
+PJ008097	NQRW 	C26H38N10O7	602.2925	NA	PeJP	NA	NA
+8278	Antioxidative peptide	VPYPQ	602.293	NA  ;SYN:(+-)-5-Hydroxytryptophan; (S)-5-Hydroxytryptophan; 5-hydroxy-L-Tryptophan; 5-Hydroxy-tryptophan; 5-Hydroxyl-L-tryptophan; 5-Hydroxytryptophan; 5-Hydroxytryptophan L form; 5-Hydroxytryptophan L-form; Cincofarm; Hydroxytryptophan; Levothym; Levotinine; Oxitriptan; Oxyfan; Oxytryptophan; Pretonine; Quietim; Serotonyl; Telesol; Triptene;  L-5-HydroxytryptophanH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ008098	GLEER 	C24H42N8O10	602.3024	NA	PeJP	NA	NA
+PJ008099	GPHHR 	C25H38N12O6	602.3038	NA	PeJP	NA	NA
+PJ008100	GVLEW 	C29H42N6O8	602.3064	NA	PeJP	NA	NA
+MJ084957	7-Hydroperoxy-4,9,12,13,20-pentahydroxy-1,5-tigliadien-3-one, 12-(2,4-Undecadienoyl), 13-Ac 	C33H46O10	602.309097	NA	MeJP	NA	NA
+MJ084958	Cleoamblynol A; 15?-Acetoxy 	C33H46O10	602.309097	NA	MeJP	NA	NA
+MJ084959	Cleoamblynol A; 7?-Acetoxy 	C33H46O10	602.309097	NA	MeJP	NA	NA
+PJ008101	PVKEM 	C26H46N6O8S	602.3098	NA	PeJP	NA	NA
+MJ084960	Trapoxin A 	C34H42N4O6	602.310435	NA	MeJP	NA	NA
+PJ008102	GNKER 	C23H42N10O9	602.3136	NA	PeJP	NA	NA
+PJ008103	GGGKER 	C23H42N10O9	602.3137	NA	PeJP	NA	NA
+MJ084961	Asterriquinone D; 7',7''-Bis(3-methyl-2-butenyl), 2'-(1,1-dimethyl-2-propenyl) 	C39H42N2O4	602.314457	NA	MeJP	NA	NA
+MJ084962	Asterriquinone D; 7'-(3-Methyl-2-butenyl), 2',2''-bis(1,1-dimethyl-2-propenyl) 	C39H42N2O4	602.314457	NA	MeJP	NA	NA
+PJ008104	LERW 	C28H42N8O7	602.3177	NA	PeJP	NA	NA
+PJ008105	SPLMR 	C25H46N8O7S	602.321	NA	PeJP	NA	NA
+PJ008106	GAPCKK 	C25H46N8O7S	602.3211	NA	PeJP	NA	NA
+PJ008107	VLWW 	C33H42N6O5	602.3217	NA	PeJP	NA	NA
+PJ008108	GSQRR 	C22H42N12O8	602.3249	NA	PeJP	NA	NA
+MJ084963	Matopensine; 18,18'-Dihydroxy 	C38H42N4O3	602.325691	NA	MeJP	NA	NA
+PJ008109	VVKEE 	C26H46N6O10	602.3276	NA	PeJP	NA	NA
+PJ008110	NKRW 	C27H42N10O6	602.3289	NA	PeJP	NA	NA
+PJ008111	SVLER 	C25H46N8O9	602.3388	NA	PeJP	NA	NA
+PJ008112	ATLLW 	C30H46N6O7	602.3428	NA	PeJP	NA	NA
+MJ084964	5,6,14,17,20-Pentahydroxy-1-oxowitha-2,24-dienolide, 5-Butyl ether, 6-Ac 	C34H50O9	602.345483	NA	MeJP	NA	NA
+MJ084965	Prohuratoxin 	C34H50O9	602.345483	NA	MeJP	NA	NA
+MJ084966	Resiniferonol; 5?-Hydroxy, 6?,7?-epoxide, 14-(2E,4E-tetradecadienoyl) 	C34H50O9	602.345483	NA	MeJP	NA	NA
+C11956	Avermectin A2b aglycone	C34H50O9	602.3455	NA	KEGG	NA	NA
+C11971	Avermectin B2a aglycone	C34H50O9	602.3455	NA	KEGG	NA	NA
+PJ008113	VLLQM 	C27H50N6O7S	602.3462	NA	PeJP	NA	NA
+MJ084967	Beauverolide Ja 	C35H46N4O5	602.34682	NA	MeJP	NA	NA
+PJ008114	GDKKR 	C24H46N10O8	602.35	NA	PeJP	NA	NA
+PJ008115	AAKKW 	C29H46N8O6	602.3541	NA	PeJP	NA	NA
+PJ008116	ALLMR 	C26H50N8O6S	602.3574	NA	PeJP	NA	NA
+C09929	Garcinol	C38H50O6	602.3607	NA	KEGG	NA	NA
+C09979	Xanthochymol	C38H50O6	602.3607	NA	KEGG	NA	NA
+MJ084968	Guttiferone A 	C38H50O6	602.360739	NA	MeJP	NA	NA
+MJ084969	Guttiferone E 	C38H50O6	602.360739	NA	MeJP	NA	NA
+PJ008117	GSKRR 	C23H46N12O7	602.3613	NA	PeJP	NA	NA
+MJ084970	Kopsia Alkaloid dimer 	C39H46N4O2	602.362076	NA	MeJP	NA	NA
+MJ084971	Tabernamine; N4-De-Me 	C39H46N4O2	602.362076	NA	MeJP	NA	NA
+PJ008118	TLLKE 	C27H50N6O9	602.3639	NA	PeJP	NA	NA
+PJ008119	GSTLLL 	C27H50N6O9	602.364	NA	PeJP	NA	NA
+PJ008120	TTLLR 	C26H50N8O8	602.3752	NA	PeJP	NA	NA
+PJ008121	PVLKF 	C31H50N6O6	602.3792	NA	PeJP	NA	NA
+MJ084972	Tetronasin 	C35H53O8(-)	602.381868	NA	MeJP	NA	NA
+MJ084973	18,19-Epoxy-3,13(16),14-clerodatriene-2,6,18,19-tetrol, 2-Undecanoyl, 18,19-di-Ac 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084974	25-Anhydrocimigenol; 3-O-?-D-Xylopyranoside 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084975	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,22-Di-Ac, 7-Me ether 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084976	3-Hydroxy-28-norolean-12-en-16-one, 3-O-?-D-Glucuronopyranoside 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084977	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Decanoyl, 13-(2-methylbutanoyl) 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084978	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Decanoyl, 12-(2S-methylbutanoyl) 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084979	Antibiotic PF 1032B 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084980	Cimigenol; 25-Deoxy, 25,26-didehydro, 3-O-?-D-xylopyranoside 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084981	Gentinone A; Deepoxy, 24R,25-dihydroxy 	C35H54O8	602.381868	NA	MeJP	NA	NA
+MJ084982	?-Ilexanolic acid; 3-O-?-L-Arabinopyranoside 	C35H54O8	602.381868	NA	MeJP	NA	NA
+PJ008122	VLLKM 	C28H54N6O6S	602.3826	NA	PeJP	NA	NA
+PJ008123	ATKKR 	C25H50N10O7	602.3864	NA	PeJP	NA	NA
+MJ084983	12-Oleanene-3,28-diol, 28-Aldehyde, 3-(3,4-dihydroxycinnamoyl)(E-) 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084984	20(29)-Lupene-3,28-diol, 28-O-Aldehyde, 3-O-(3,4-dihydroxycinnamoyl) 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084985	3,21-Dihydroxy-12-oleanen-28-oic acid, 21-Cinnamoyl 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084986	3-Hydroxy-12-oleanen-28-oic acid, 3-O-(4-Hydroxycinnamoyl)(E-) 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084987	3-Hydroxy-12-oleanen-28-oic acid, 3-O-(4-Hydroxycinnamoyl)(Z-) 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084988	3-Hydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl) 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084989	3-Hydroxy-14-taraxeren-28-oic acid, 3-(4-Hydroxycinnamoyl)(E-) 	C39H54O5	602.397124	NA	MeJP	NA	NA
+MJ084990	Octoxinol 9 	C32H58O10	602.402998	NA	MeJP	NA	NA
+PJ008124	SLKKK 	C27H54N8O7	602.4116	NA	PeJP	NA	NA
+MJ084991	11,13(18)-Oleanadiene-3,22-diol, 3-O-?-D-Glucopyranoside 	C36H58O7	602.418254	NA	MeJP	NA	NA
+MJ084992	17,24:20,24-Diepoxydammarane-3,12,25-triol, 25-Et ether, 3,12-di-Ac 	C36H58O7	602.418254	NA	MeJP	NA	NA
+MJ084993	17-Hydroxyingenol; 20-Hexadecanoyl 	C36H58O7	602.418254	NA	MeJP	NA	NA
+MJ084994	21,23-Epoxy-4,7-dihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3R-methylpentanoyl) 	C36H58O7	602.418254	NA	MeJP	NA	NA
+MJ084995	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-?-L-Rhamnopyranoside 	C36H58O7	602.418254	NA	MeJP	NA	NA
+MJ084996	4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Hexadecanoyl 	C36H58O7	602.418254	NA	MeJP	NA	NA
+MJ084997	5,6-Dihydro-?,?-carotene-3,3',5,6-tetrol 	C40H58O4	602.43351	NA	MeJP	NA	NA
+MJ084998	5,6-Dihydro-?,?-carotene-3,3',5,6-tetrol 	C40H58O4	602.43351	NA	MeJP	NA	NA
+MJ084999	Cycloart-24-en-3-ol, 3-(4-Hydroxy-3-methoxycinnamoyl) 	C40H58O4	602.43351	NA	MeJP	NA	NA
+MJ085000	Cycloeucalenol; 3-O-(4-Hydroxy-3-methoxycinnamoyl) (E-) 	C40H58O4	602.43351	NA	MeJP	NA	NA
+MJ085001	4,12,20,24,26,28-Hexahydroxy-2,10,18-tritriacontanetrione 	C33H62O9	602.439383	NA	MeJP	NA	NA
+MJ085002	2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, 29-Hydroxy 	C41H62O3	602.469895	NA	MeJP	NA	NA
+MJ085003	Rg keto VII 	C41H62O3	602.469895	NA	MeJP	NA	NA
+MJ085004	Stigmast-5-ene-3,7-diol, 7-Ketone, 3-(4-pentylbenzoyl) 	C41H62O3	602.469895	NA	MeJP	NA	NA
+MJ085005	1,3,27-Octacosanetriol, 27-Ketone, 1-O-?-D-glucopyranoside 	C34H66O8	602.475769	NA	MeJP	NA	NA
+MJ085006	1,3,27-Octacosanetriol, 3-Ketone, 1-O-?-D-galactopyranoside 	C34H66O8	602.475769	NA	MeJP	NA	NA
+MJ085007	1,3,27-Octacosanetriol, 3-Ketone, 1-O-?-D-glucopyranoside 	C34H66O8	602.475769	NA	MeJP	NA	NA
+C07554	Pipecuronium	C35H62N4O4	602.4771	NA	KEGG	NA	NA
+MJ085008	1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Octadecanoyl 	C38H66O5	602.491025	NA	MeJP	NA	NA
+HMDB07083	DG(15:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C38H66O5	602.491028	NA	HMDB2010	NA	NA
+HMDB07084	DG(15:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C38H66O5	602.491028	NA	HMDB2010	NA	NA
+HMDB07503	DG(20:4(5Z,8Z,11Z,14Z)/15:0/0:0)	C38H66O5	602.491028	NA	HMDB2010	NA	NA
+HMDB07532	DG(20:4(8Z,11Z,14Z,17Z)/15:0/0:0)	C38H66O5	602.491028	NA	HMDB2010	NA	NA
+MJ085009	1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; Di-Me ether 	C42H66O2	602.506281	NA	MeJP	NA	NA
+MJ085010	Bombiprenone 	C43H70O	602.542666	NA	MeJP	NA	NA
+MJ085011	Guanosine 3',5'-bis(diphosphate) 	C10H17N5O17P4	602.95699	NA	MeJP	NA	NA
+MetaCyc03956	guanosine tetraphosphate []	C10H17N5O17P4	602.95699	33503-72-9	metacyc	NA	NA
+MetaCyc03957	guanosine 5'-diphosphate,3'-diphosphate [guanosine tetraphosphate;ppGpp;guanosine 3',5'-bispyrophosphate;guanosine 3',5'-bis(diphosphate);Guanosine 3'-diphosphate 5'-diphosphate;]	C10H17N5O17P4	602.95699	NA	metacyc	NA	NA
+C01228	Guanosine 3',5'-bis(diphosphate)	C10H17N5O17P4	602.957	NA	KEGG	NA	NA
+C01229	Phospholipid olefinic fatty acid	C14H22O8PR3	602.957	NA	KEGG	NA	NA
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	NA	603.017375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	NA	603.017375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	NA	603.017375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR310	Nicotinamide adénine di nucléotide phosphate F3	F3	603.017375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	NA	603.017375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR310	Nicotinamide adenine di nucleotide phosphate F3	F3	603.017375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+FL7ARXGL0002	5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside)	C27H23O16	603.0986	566942-53-8	knapsack	NA	NA
+PJ008125	CCCEF 	C23H33N5O8S3	603.1492	NA	PeJP	NA	NA
+PJ008126	CDDDH 	C21H29N7O12S	603.1595	NA	PeJP	NA	NA
+PJ008127	SCCEY 	C23H33N5O10S2	603.1669	NA	PeJP	NA	NA
+MJ085012	1,2,9-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Di-Me ether, N-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] 	C32H29NO11	603.17406	NA	MeJP	NA	NA
+PJ008128	GCMMY 	C24H37N5O7S3	603.1855	NA	PeJP	NA	NA
+PJ008129	CCNQH 	C21H33N9O8S2	603.1894	NA	PeJP	NA	NA
+PJ008130	SDDMH 	C22H33N7O11S	603.1959	NA	PeJP	NA	NA
+MJ085013	Draflazine 	C30H33Cl2F2N5O2	603.197937	NA	MeJP	NA	NA
+PJ008131	GCDFY 	C27H33N5O9S	603.1999	NA	PeJP	NA	NA
+PJ008132	PDDEE 	C23H33N5O14	603.2024	NA	PeJP	NA	NA
+PJ008133	STCMY 	C24H37N5O9S2	603.2033	NA	PeJP	NA	NA
+PJ008134	GSSCNH 	C21H33N9O10S	603.2071	NA	PeJP	NA	NA
+PJ008135	GSPNDD 	C22H33N7O13	603.2137	NA	PeJP	NA	NA
+PJ008136	GEMMH 	C23H37N7O8S2	603.2145	NA	PeJP	NA	NA
+PJ008137	GSDYY 	C27H33N5O11	603.2177	NA	PeJP	NA	NA
+PJ008138	GCMFF 	C28H37N5O6S2	603.2185	NA	PeJP	NA	NA
+PJ008139	NNNNE 	C21H33N9O12	603.2249	NA	PeJP	NA	NA
+PJ008140	CCNKH 	C22H37N9O7S2	603.2258	NA	PeJP	NA	NA
+PJ008141	GDEHF 	C26H33N7O10	603.2289	NA	PeJP	NA	NA
+PJ008142	MMHW 	C27H37N7O5S2	603.2298	NA	PeJP	NA	NA
+PJ008143	STEMH 	C23H37N7O10S	603.2323	NA	PeJP	NA	NA
+PJ008144	ACHHH 	C24H33N11O6S	603.2336	NA	PeJP	NA	NA
+PJ008145	QMYY 	C28H37N5O8S	603.2363	NA	PeJP	NA	NA
+PJ008146	PTEEE 	C24H37N5O13	603.2388	NA	PeJP	NA	NA
+PJ008147	PPEMM 	C25H41N5O8S2	603.2397	NA	PeJP	NA	NA
+PJ008148	GNNNW 	C25H33N9O9	603.2401	NA	PeJP	NA	NA
+PJ008149	GGGNNW 	C25H33N9O9	603.2402	NA	PeJP	NA	NA
+PJ008150	PCNDR 	C22H37N9O9S	603.2435	NA	PeJP	NA	NA
+PJ008151	DHFW 	C30H33N7O7	603.2442	NA	PeJP	NA	NA
+MJ085014	TSAO-T; N3-Me 	C25H45N3O8SSi2	603.246589	NA	MeJP	NA	NA
+PJ008152	GPNMW 	C27H37N7O7S	603.2475	NA	PeJP	NA	NA
+PJ008153	GGGPMW 	C27H37N7O7S	603.2476	NA	PeJP	NA	NA
+PJ008154	AQQEE 	C23H37N7O12	603.25	NA	PeJP	NA	NA
+PJ008155	GAAQEE 	C23H37N7O12	603.2501	NA	PeJP	NA	NA
+MJ085015	Uscharin; 16?-Hydroxy 	C31H41NO9S	603.250202	NA	MeJP	NA	NA
+MJ085016	Uscharin; 17-Epimer, 17-Hydroxy 	C31H41NO9S	603.250202	NA	MeJP	NA	NA
+PJ008156	SVMMH 	C24H41N7O7S2	603.2509	NA	PeJP	NA	NA
+PJ008157	SSHHH 	C24H33N11O8	603.2514	NA	PeJP	NA	NA
+PJ008158	ASTYY 	C28H37N5O10	603.254	NA	PeJP	NA	NA
+PJ008159	GTTYY 	C28H37N5O10	603.2541	NA	PeJP	NA	NA
+PJ008160	PVEEM 	C25H41N5O10S	603.2574	NA	PeJP	NA	NA
+PJ008161	GNEER 	C22H37N9O11	603.2613	NA	PeJP	NA	NA
+PJ008162	AAQEW 	C27H37N7O9	603.2653	NA	PeJP	NA	NA
+MJ085017	4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O6,O16,O18-Tri-Me, 14-benzoyl, 8-Ac 	C31H41NO11	603.267961	NA	MeJP	NA	NA
+MJ085018	Hordenine; O-[6-O-Cinnamoyl-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C31H41NO11	603.267961	NA	MeJP	NA	NA
+PJ008163	PNDKM 	C24H41N7O9S	603.2687	NA	PeJP	NA	NA
+PJ008164	QFFY 	C32H37N5O7	603.2693	NA	PeJP	NA	NA
+PJ008165	SNNNR 	C21H37N11O10	603.2725	NA	PeJP	NA	NA
+PJ008166	KMYY 	C29H41N5O7S	603.2727	NA	PeJP	NA	NA
+PJ008167	VVEEE 	C25H41N5O12	603.2752	NA	PeJP	NA	NA
+PJ008168	NERW 	C26H37N9O8	603.2765	NA	PeJP	NA	NA
+PJ008169	SPNMR 	C23H41N9O8S	603.2799	NA	PeJP	NA	NA
+PJ008170	VNWW 	C31H37N7O6	603.2805	NA	PeJP	NA	NA
+PJ008171	GGVWW 	C31H37N7O6	603.2806	NA	PeJP	NA	NA
+C11365	CPT-11 carboxylate form	C33H39N4O7	603.2819	NA	KEGG	NA	NA
+PJ008172	APCKW 	C28H41N7O6S	603.2839	NA	PeJP	NA	NA
+PJ008173	AQKEE 	C24H41N7O11	603.2864	NA	PeJP	NA	NA
+PJ008174	PPVEY 	C29H41N5O9	603.2905	NA	PeJP	NA	NA
+PJ008175	GRWW 	C30H37N9O5	603.2918	NA	PeJP	NA	NA
+3289	NA	NIMEILRGDF	603.2971	MH2+	Inhouse_peptide	NA	peptide
+PJ008176	SNQQK 	C23H41N9O10	603.2976	NA	PeJP	NA	NA
+PJ008177	GDKER 	C23H41N9O10	603.2977	NA	PeJP	NA	NA
+PJ008178	AAKEW 	C28H41N7O8	603.3017	NA	PeJP	NA	NA
+MJ085019	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac 	C32H45NO10	603.304346	NA	MeJP	NA	NA
+MJ085020	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl 	C32H45NO10	603.304346	NA	MeJP	NA	NA
+MJ085021	Hemsleyasine 	C32H45NO10	603.304346	NA	MeJP	NA	NA
+PJ008179	PTQKM 	C25H45N7O8S	603.305	NA	PeJP	NA	NA
+PJ008180	GAPTKM 	C25H45N7O8S	603.3051	NA	PeJP	NA	NA
+PJ008181	KFFY 	C33H41N5O6	603.3057	NA	PeJP	NA	NA
+PJ008182	GSERR 	C22H41N11O9	603.3089	NA	PeJP	NA	NA
+PJ008183	PPLMF 	C30H45N5O6S	603.3091	NA	PeJP	NA	NA
+PJ008184	TLLEE 	C26H45N5O11	603.3116	NA	PeJP	NA	NA
+PJ008185	PLLMM 	C27H49N5O6S2	603.3124	NA	PeJP	NA	NA
+PJ008186	DKRW 	C27H41N9O7	603.3129	NA	PeJP	NA	NA
+PJ008187	GLQMR 	C24H45N9O7S	603.3163	NA	PeJP	NA	NA
+MJ085022	Pregnane-3,12,14,17,20-pentol, 20-(3-Pyridinecarbonyl), 12-cinnamoyl 	C36H45NO7	603.319602	NA	MeJP	NA	NA
+PJ008188	AKKEE 	C25H45N7O10	603.3228	NA	PeJP	NA	NA
+PJ008189	SRRW 	C26H41N11O6	603.3241	NA	PeJP	NA	NA
+PJ008190	PVLEF 	C30H45N5O8	603.3268	NA	PeJP	NA	NA
+PJ008191	AAMRR 	C23H45N11O6S	603.3275	NA	PeJP	NA	NA
+PJ008192	VLLEM 	C27H49N5O8S	603.3302	NA	PeJP	NA	NA
+PJ008193	ATKER 	C24H45N9O9	603.334	NA	PeJP	NA	NA
+PJ008194	GGTTLR 	C24H45N9O9	603.3341	NA	PeJP	NA	NA
+PJ008195	GTLKW 	C29H45N7O7	603.3381	NA	PeJP	NA	NA
+PJ008196	PTKKM 	C26H49N7O7S	603.3414	NA	PeJP	NA	NA
+PJ008197	GGVLKM 	C26H49N7O7S	603.3415	NA	PeJP	NA	NA
+PJ008198	ATTRR 	C23H45N11O8	603.3453	NA	PeJP	NA	NA
+PJ008199	GPKFR 	C28H45N9O6	603.3493	NA	PeJP	NA	NA
+MJ085023	Antibiotic B 1371E 	C32H49N3O8	603.351965	NA	MeJP	NA	NA
+PJ008200	GLKMR 	C25H49N9O6S	603.3527	NA	PeJP	NA	NA
+EUR683	Lyso PC 20:4 [M-H+acetate]-	C28H50NO7P	603.353592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR683	Lyso PC 20:4 [M-H+acetate]-	C28H50NO7P	603.353592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR683	Lyso PC 20:4 [M-H+acetate]-	C28H50NO7P	603.353592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR683	Lyso PC 20:4 [M-H+acetate]-	C28H50NO7P	603.353592	masses lipides attendues	Inhousejuil11	NA	NA
+MJ085024	Janthitrem E 	C37H49NO6	603.355988	NA	MeJP	NA	NA
+PJ008201	SLKKE 	C26H49N7O9	603.3592	NA	PeJP	NA	NA
+MJ085025	Benzonatate 	C30H53NO11	603.361861	NA	MeJP	NA	NA
+MJ085026	Fumonisin A1; 15-Deacyl, 15-ketone 	C30H53NO11	603.361861	NA	MeJP	NA	NA
+PJ008202	PVLLY 	C31H49N5O7	603.3632	NA	PeJP	NA	NA
+PJ008203	STLKR 	C25H49N9O8	603.3704	NA	PeJP	NA	NA
+PJ008204	VVKKM 	C27H53N7O6S	603.3778	NA	PeJP	NA	NA
+PJ008205	VLLLF 	C32H53N5O6	603.3996	NA	PeJP	NA	NA
+MJ085027	Fluvirucin B; Fluvirucin B5 	C34H57N3O6	603.424736	NA	MeJP	NA	NA
+3560	heparin-binding peptide	APRKSSRWCT	603.7875	MH2+	Inhouse_peptide	NA	peptide
+C14760	Amaranth	C20H11N2O10S3	603.9269	NA	KEGG	NA	NA
+PJ008206	ACCCCC 	C18H32N6O7S5	604.0936	NA	PeJP	NA	NA
+PJ008207	SSCCCC 	C18H32N6O9S4	604.1114	NA	PeJP	NA	NA
+MJ085028	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3',3'''-Dihydroxy, 4'-Me ether 	C31H24O13	604.12169	NA	MeJP	NA	NA
+MJ085029	Pyranoamentoflavone 	C35H24O10	604.136946	NA	MeJP	NA	NA
+MJ085030	2-(4-Hydroxyphenyl)ethanol; 1-O-[4,6-Bis-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C28H28O15	604.14282	NA	MeJP	NA	NA
+MJ085031	2-(4-Hydroxyphenyl)ethanol; 4'-O-3,4,5-Trihydroxybenzoyl, 1-O-[3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H28O15	604.14282	NA	MeJP	NA	NA
+MJ085032	?-Rhodomycinone; 1-O-?-D-Glucuronopyranoside 	C28H28O15	604.14282	NA	MeJP	NA	NA
+FL5FADGL0041	Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C28H28O15	604.14282	600736-88-7	knapsack	NA	NA
+PJ008208	CCCNY 	C22H32N6O8S3	604.1444	NA	PeJP	NA	NA
+PJ008209	CCNEH 	C21H32N8O9S2	604.1734	NA	PeJP	NA	NA
+MJ085033	2-Hydroxymethyl-2-butene-1,4-diol; 4-(3,4-Dihydroxycinnamoyl), 1-O-[6-O-(3,4-dihydroxycinnamoyl)-?-D-glucopyranoside] 	C29H32O14	604.179205	NA	MeJP	NA	NA
+MJ085034	Neophellamuretin, 7-O-(6-O-Malonyl-?-D-glucopyranoside) 	C29H32O14	604.179205	NA	MeJP	NA	NA
+MJ085035	Salicortin; 2'-O-Ac, 6'-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carbonyl) 	C29H32O14	604.179205	NA	MeJP	NA	NA
+PJ008210	GCCHW 	C25H32N8O6S2	604.1886	NA	PeJP	NA	NA
+PJ008211	GSSCDH 	C21H32N8O11S	604.1912	NA	PeJP	NA	NA
+PJ008212	GSPDDD 	C22H32N6O14	604.1977	NA	PeJP	NA	NA
+PJ008213	GPPCCE 	C23H36N6O9S2	604.1986	NA	PeJP	NA	NA
+MJ085036	Modipafant 	C34H29ClN6O3	604.198966	NA	MeJP	NA	NA
+PJ008214	NNNDE 	C21H32N8O13	604.2089	NA	PeJP	NA	NA
+PJ008215	SCQMH 	C22H36N8O8S2	604.2098	NA	PeJP	NA	NA
+PJ008216	PPCCW 	C27H36N6O6S2	604.2138	NA	PeJP	NA	NA
+MJ085037	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 9-benzoyl, 1,2,6,14-tetra-Ac 	C30H36O13	604.215591	NA	MeJP	NA	NA
+MJ085038	Hemoregulatory peptide 5b 	C23H36N6O11S	604.216276	NA	MeJP	NA	NA
+PJ008217	PNDEM 	C23H36N6O11S	604.2163	NA	PeJP	NA	NA
+PJ008218	EMYY 	C28H36N4O9S	604.2203	NA	PeJP	NA	NA
+MJ085039	Cancentrine; 31,32-Didehydro 	C36H32N2O7	604.220951	NA	MeJP	NA	NA
+MJ085040	Cancentrine; 8,14-Didehydro 	C36H32N2O7	604.220951	NA	MeJP	NA	NA
+PJ008219	SCCHR 	C21H36N10O7S2	604.221	NA	PeJP	NA	NA
+PJ008220	GNNDW 	C25H32N8O10	604.2242	NA	PeJP	NA	NA
+PJ008221	PCDDR 	C22H36N8O10S	604.2275	NA	PeJP	NA	NA
+PJ008222	GGGGGPTC 	C22H36N8O10S	604.2276	NA	PeJP	NA	NA
+MJ085041	Antibiotic ES 242-4; 4-Deoxy, 4'-Ac 	C34H36O10	604.230847	NA	MeJP	NA	NA
+MJ085042	Daphnetoxin; 1,2-Dihydro, 12-benzoyloxy 	C34H36O10	604.230847	NA	MeJP	NA	NA
+PJ008223	GPDMW 	C27H36N6O8S	604.2316	NA	PeJP	NA	NA
+PJ008224	AQEEE 	C23H36N6O13	604.2341	NA	PeJP	NA	NA
+PJ008225	GPPTCM 	C24H40N6O8S2	604.2349	NA	PeJP	NA	NA
+MJ085043	Chromoviridan; Deoxy 	C41H28N6	604.237544	NA	MeJP	NA	NA
+3218	Casoxin	YPYY	604.241	celiac toxic	Inhouse_peptide	NA	peptide
+PJ008226	GNMHF 	C26H36N8O7S	604.2428	NA	PeJP	NA	NA
+MJ085044	Antibiotic TAN 422A 	C32H41ClO9	604.24391	NA	MeJP	NA	NA
+PJ008227	GDEER 	C22H36N8O12	604.2453	NA	PeJP	NA	NA
+PJ008228	SCKMH 	C23H40N8O7S2	604.2462	NA	PeJP	NA	NA
+PJ008229	AAEEW 	C27H36N6O10	604.2493	NA	PeJP	NA	NA
+MJ085045	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15,19-octol, 2-Benzoyl, 4,19-di-Ac 	C31H40O12	604.251976	NA	MeJP	NA	NA
+MJ085046	Sandoricin; 6R-Hydroxy 	C31H40O12	604.251976	NA	MeJP	NA	NA
+PJ008230	PTQEM 	C24H40N6O10S	604.2527	NA	PeJP	NA	NA
+PJ008231	PYYY 	C32H36N4O8	604.2533	NA	PeJP	NA	NA
+MJ085047	Antibiotic Al-R2397 	C31H41ClN2O8	604.255144	NA	MeJP	NA	NA
+PJ008232	SNNDR 	C21H36N10O11	604.2565	NA	PeJP	NA	NA
+3120	alpha-thymosin-1 K23 fr,:23-27	KEEAE	604.257	celiac toxic	Inhouse_peptide	NA	peptide
+MJ085048	Cycleatjehine; O12-Me 	C37H36N2O6	604.257336	NA	MeJP	NA	NA
+MJ085049	Berbacolorflammine 	C37H37N2O6(+)	604.257336	NA	MeJP	NA	NA
+MJ085050	Fangchinoline, 1,3,4-Tridehydro 	C37H37N2O6(+)	604.257336	NA	MeJP	NA	NA
+MJ085051	Stephasubine; N2'-Me 	C37H37N2O6(+)	604.257336	NA	MeJP	NA	NA
+PJ008233	GSQQW 	C26H36N8O9	604.2605	NA	PeJP	NA	NA
+PJ008234	DERW 	C26H36N8O9	604.2606	NA	PeJP	NA	NA
+PJ008235	SPDMR 	C23H40N8O9S	604.2639	NA	PeJP	NA	NA
+PJ008236	VDWW 	C31H36N6O7	604.2646	NA	PeJP	NA	NA
+MJ085052	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 8-Cinnamoyl, 9-benzoyl, 1,6-di-Ac 	C35H40O9	604.267232	NA	MeJP	NA	NA
+PJ008237	APTMW 	C28H40N6O7S	604.2679	NA	PeJP	NA	NA
+PJ008238	GGPPMF 	C28H40N6O7S	604.268	NA	PeJP	NA	NA
+PJ008239	AKEEE 	C24H40N6O12	604.2704	NA	PeJP	NA	NA
+PJ008240	GGTLEE 	C24H40N6O12	604.2705	NA	PeJP	NA	NA
+PJ008241	PVQMM 	C25H44N6O7S2	604.2713	NA	PeJP	NA	NA
+PJ008242	SPQHH 	C25H36N10O8	604.2718	NA	PeJP	NA	NA
+PJ008243	GNQMR 	C22H40N10O8S	604.2751	NA	PeJP	NA	NA
+PJ008244	GGGQMR 	C22H40N10O8S	604.2752	NA	PeJP	NA	NA
+PJ008245	ACKHF 	C27H40N8O6S	604.2792	NA	PeJP	NA	NA
+PJ008246	ATEER 	C23H40N8O11	604.2817	NA	PeJP	NA	NA
+PJ008247	APMMR 	C24H44N8O6S2	604.2825	NA	PeJP	NA	NA
+3134	ester transferases inhibitor	TWRMWYVPA	604.2832	MH2+	Inhouse_peptide	NA	peptide
+MJ085053	Amicetin; N-De-Me 	C28H40N6O9	604.285676	NA	MeJP	NA	NA
+PJ008248	GTLEW 	C28H40N6O9	604.2857	NA	PeJP	NA	NA
+PJ008249	GCNRR 	C21H40N12O7S	604.2864	NA	PeJP	NA	NA
+MJ085054	2,3,14-Trihydroxy-11-oxo-16,20(22)-cardadienolide, 3-O-(4-O-Acetyl-6-deoxy-3-O-methyl-?-D-galactopyranoside) 	C32H44O11	604.288362	NA	MeJP	NA	NA
+MJ085055	2,3,5,14-Tetrahydroxy-19-oxo-20,22-bufadienolide, 2-Ac, 3-O-(4,6-dideoxy-?-arabino-hexopyranoside) 	C32H44O11	604.288362	NA	MeJP	NA	NA
+MJ085056	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside, 16-Ac 	C32H44O11	604.288362	NA	MeJP	NA	NA
+MJ085057	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 5-Ac, 3-O-?-L-rhamnopyranoside 	C32H44O11	604.288362	NA	MeJP	NA	NA
+MJ085058	Karatavicinol; 11'-Ac, 10'-O-?-D-glucopyranoside 	C32H44O11	604.288362	NA	MeJP	NA	NA
+C08857	Cerbertin	C32H44O11	604.2884	NA	KEGG	NA	NA
+C08873	Lanceotoxin B	C32H44O11	604.2884	NA	KEGG	NA	NA
+PJ008250	PTKEM 	C25H44N6O9S	604.2891	NA	PeJP	NA	NA
+PJ008251	LFYY 	C33H40N4O7	604.2897	NA	PeJP	NA	NA
+MJ085059	Magnesium protoporphyrin monomethyl ester 	C35H40MgN4O4	604.289997	NA	MeJP	NA	NA
+PJ008252	SSQQR 	C22H40N10O10	604.2929	NA	PeJP	NA	NA
+PJ008253	GSQKW 	C27H40N8O8	604.2969	NA	PeJP	NA	NA
+MJ085060	Aurilol 	C30H53BrO7	604.297466	NA	MeJP	NA	NA
+MJ085061	Thyrsiferol 	C30H53BrO7	604.297466	NA	MeJP	NA	NA
+MJ085062	Dilazep 	C31H44N2O10	604.299595	NA	MeJP	NA	NA
+PJ008254	GLEMR 	C24H44N8O8S	604.3003	NA	PeJP	NA	NA
+PJ008255	TLWW 	C32H40N6O6	604.301	NA	PeJP	NA	NA
+PJ008256	GVLMW 	C29H44N6O6S	604.3043	NA	PeJP	NA	NA
+PJ008257	SLKEE 	C25H44N6O11	604.3068	NA	PeJP	NA	NA
+PJ008258	PVKMM 	C26H48N6O6S2	604.3077	NA	PeJP	NA	NA
+PJ008259	SPKHH 	C26H40N10O7	604.3082	NA	PeJP	NA	NA
+3469	analogue of human b-CN (54-59)	VGGIPY	604.309	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ008260	GNKMR 	C23H44N10O7S	604.3115	NA	PeJP	NA	NA
+PJ008261	GGGKMR 	C23H44N10O7S	604.3116	NA	PeJP	NA	NA
+PJ008262	PFRW 	C31H40N8O5	604.3122	NA	PeJP	NA	NA
+MJ085063	Cryptophycin 4 	C35H44N2O7	604.314851	NA	MeJP	NA	NA
+PJ008263	LMRW 	C28H44N8O5S	604.3156	NA	PeJP	NA	NA
+PJ008264	STLER 	C24H44N8O10	604.3181	NA	PeJP	NA	NA
+PJ008265	GVHHR 	C25H40N12O6	604.3194	NA	PeJP	NA	NA
+MJ085064	Bengamide Z; N-De-Me, 6S-(3R,4S,5R-trihydroxy-2R-methoxy-8-methyl-6-nonenoyl) 	C28H48N2O12	604.320725	NA	MeJP	NA	NA
+PJ008266	SSLLW 	C29H44N6O8	604.3221	NA	PeJP	NA	NA
+MJ085065	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7,18-dibutanoyl, 6,19-di-Ac 	C33H48O10	604.324747	NA	MeJP	NA	NA
+MJ085066	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 2-Me ether, 7,19-dibutanoyl, 6,18-di-Ac 	C33H48O10	604.324747	NA	MeJP	NA	NA
+MJ085067	4(20),11-Taxadiene-2,5,7,9,10-pentol, 2-(2-Methylbutanoyl), 5,7,9,10-tetra-Ac 	C33H48O10	604.324747	NA	MeJP	NA	NA
+MJ085068	4(20),11-Taxadiene-2,5,9,10,14-pentol, 14-(2-Methylbutanoyl), 2,5,9,10-tetra-Ac 	C33H48O10	604.324747	NA	MeJP	NA	NA
+MJ085069	Implexin, 4?,5-Dihydro, 5-acetoxy 	C33H48O10	604.324747	NA	MeJP	NA	NA
+MJ085070	Prasinic acid; Decarboxy, O-de-Me, 2-O-?-D-galactofuranoside 	C33H48O10	604.324747	NA	MeJP	NA	NA
+MJ085071	Viridominic acid A; 12?-Hydroxy 	C33H48O10	604.324747	NA	MeJP	NA	NA
+PJ008267	TLLQM 	C26H48N6O8S	604.3254	NA	PeJP	NA	NA
+2723	erythromycin inhibitor	MSLRV	604.3254	NA	Inhouse_peptide	NA	peptide
+PJ008268	VVKEM 	C26H48N6O8S	604.3255	NA	PeJP	NA	NA
+PJ008269	SSQKR 	C23H44N10O9	604.3293	NA	PeJP	NA	NA
+PJ008270	HHRR 	C24H40N14O5	604.3306	NA	PeJP	NA	NA
+PJ008271	GSKKW 	C28H44N8O7	604.3333	NA	PeJP	NA	NA
+PJ008272	SVLMR 	C25H48N8O7S	604.3367	NA	PeJP	NA	NA
+MJ085072	N-[N-[N-[(Hexahydro-1H-azepin-1-yl)carbonyl]-L-leucyl]-1-methyl-D-tryptophyl]-3-(2-pyridinyl)-D-alanine 	C33H44N6O5	604.337318	NA	MeJP	NA	NA
+MJ085073	Telinavir 	C33H44N6O5	604.337318	NA	MeJP	NA	NA
+PJ008273	GTTTLL 	C26H48N6O10	604.3432	NA	PeJP	NA	NA
+MJ085074	Antipain 	C27H44N10O6	604.344529	NA	MeJP	NA	NA
+PJ008274	PPVHR 	C27H44N10O6	604.3446	NA	PeJP	NA	NA
+MJ085075	3-O-?-L-Rhamnopyranosyl-L-rhamnose; ?-Pyranose-form, Octyl glycoside, 4-O-hexanoyl, 2',3'-di-Ac 	C30H52O12	604.345877	NA	MeJP	NA	NA
+MJ085076	3-O-?-L-Rhamnopyranosyl-L-rhamnose; ?-Pyranose-form, Octyl glycoside, 4-O-hexanoyl, 2',4'-di-Ac 	C30H52O12	604.345877	NA	MeJP	NA	NA
+MJ085077	Candida bombicola Sophorolipid lactone 	C30H52O12	604.345877	NA	MeJP	NA	NA
+PJ008275	ACKKR 	C24H48N10O6S	604.3479	NA	PeJP	NA	NA
+2728	erythromycin inhibitor	MILKT	604.3494	NA	Inhouse_peptide	NA	peptide
+3734	NA	RKSSK	604.353	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ008276	SDKKK 	C25H48N8O9	604.3544	NA	PeJP	NA	NA
+PJ008277	GSSVKK 	C25H48N8O9	604.3545	NA	PeJP	NA	NA
+MJ085078	Aeruginosin 298A 	C30H48N6O7	604.358447	NA	MeJP	NA	NA
+PJ008278	PVVKY 	C30H48N6O7	604.3585	NA	PeJP	NA	NA
+MJ085079	Hippuristanol; 22-Epimer, 2?-Acetoxy, 3,11-di-Ac 	C34H52O9	604.361133	NA	MeJP	NA	NA
+MJ085080	Hippuristanol; 2?-Acetoxy, 3,11-di-Ac 	C34H52O9	604.361133	NA	MeJP	NA	NA
+MJ085081	Periplocagenin; 20-O-(2,6-Dideoxy-arabino-hexopyranoside) 	C34H52O9	604.361133	NA	MeJP	NA	NA
+MJ085082	Tiacumicin A 	C34H52O9	604.361133	NA	MeJP	NA	NA
+PJ008279	TLLKM 	C27H52N6O7S	604.3618	NA	PeJP	NA	NA
+PJ008280	SSKKR 	C24H48N10O8	604.3657	NA	PeJP	NA	NA
+PJ008281	GLLFR 	C29H48N8O6	604.3697	NA	PeJP	NA	NA
+PJ008282	AKKKM 	C26H52N8O6S	604.3731	NA	PeJP	NA	NA
+MJ085083	3,16-Dihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid, 3-(4-Hydroxybenzoyl) 	C38H52O6	604.376389	NA	MeJP	NA	NA
+PJ008283	TTKKK 	C26H52N8O8	604.3908	NA	PeJP	NA	NA
+PJ008284	VVLKF 	C31H52N6O6	604.3949	NA	PeJP	NA	NA
+C08632	Papyriferic acid	C35H56O8	604.3975	NA	KEGG	NA	NA
+C08953	Hederagenin 3-O-arabinoside	C35H56O8	604.3975	NA	KEGG	NA	NA
+MJ085084	1,3-Dihydroxycycloart-24-en-28-oic acid, 3-O-?-L-Arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085085	12-Oleanene-3,15,16,21,22,24,28-heptol, 21-Angeloyl 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085086	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-O-?-L-arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085087	20,24-Dihydroxy-3,4-secodammara-4(28),11,25-trien-3-oic acid, 24-?-L-Arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085088	20,24-Epoxydammarane-3,12,25-triol, 3-Malonyl, 12-Ac 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085089	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085090	3,16-Dihydroxydammara-20,24-dien-28-oic acid, 16-O-?-L-Arabinofuranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085091	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Xylopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085092	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Xylopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085093	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085094	3,23-Dihydroxy-12-oleanen-28-oic acid, 23-O-?-L-Arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085095	3,24-Dihydroxy-12-ursen-28-oic acid, 24-O-?-D-Xylopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085096	3,24-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Xylopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085097	Anemoclemoside A 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085098	Bafilomycin D 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085099	Dammar-23-ene-3,12,20,25-tetrol, 3-Malonyl, 12-Ac 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085100	Dammar-24-ene-3,12,17,20-tetrol, 3-Malonyl, 12-Ac 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085101	Dammar-25-ene-3,12,20,24-tetrol, 3-Malonyl, 12-Ac 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085102	Hederagenin 3-glycosides; Monoglycosides, 3-O-?-L-Arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085103	Jujubogenin; 3-O-?-L-Arabinopyranoside 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085104	Lasalocid B 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085105	Lasalocid C 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085106	Lasalocid D 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085107	Lasalocid E 	C35H56O8	604.397518	NA	MeJP	NA	NA
+MJ085108	12-Oleanene-3,16,22,28-tetrol, 16-(E-Cinnamoyl) 	C39H56O5	604.412774	NA	MeJP	NA	NA
+MJ085109	12-Oleanene-3,28-diol, 3-(3,4-Dihydroxycinnamoyl)(E-) 	C39H56O5	604.412774	NA	MeJP	NA	NA
+MJ085110	20(29)-Lupene-3,28-diol, 3-O-(3,4-Dihydroxycinnamoyl) 	C39H56O5	604.412774	NA	MeJP	NA	NA
+MJ085111	12-Gammacerene-3,21-diol, 3-O-?-D-Glucopyranoside 	C36H60O7	604.433904	NA	MeJP	NA	NA
+MJ085112	12-Oleanene-3,22,24-triol, 22-O-?-L-Rhamnopyranoside 	C36H60O7	604.433904	NA	MeJP	NA	NA
+MJ085113	Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 3-O-?-D-xylopyranoside 	C36H60O7	604.433904	NA	MeJP	NA	NA
+MJ085114	Dammara-20(22),24-diene-3,12-diol, 3-O-?-D-Glucopyranoside 	C36H60O7	604.433904	NA	MeJP	NA	NA
+MJ085115	24-Methylenedammarane-3,20-diol, 3-O-(4-Hydroxy-E-cinnamoyl) 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085116	24-Methylenedammarane-3,20-diol, 3-O-(4-Hydroxy-Z-cinnamoyl) 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085117	Acritopappuslactone A 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085118	Bismagdalenic acid 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085119	Cycloartanol; 3-(4-Hydroxy-3-methoxycinnamoyl) 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085120	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Bis(10-undecenoyl) 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085121	Isoozic acid dimer 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085122	Lanceolatic acid 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085123	Maytenone 	C40H60O4	604.44916	NA	MeJP	NA	NA
+MJ085124	Goniodenin 	C37H64O6	604.470289	NA	MeJP	NA	NA
+MJ085125	23,37-Hentetracontadiene-2,4,6,40-tetrayne-1,8,39-triol 	C41H64O3	604.485545	NA	MeJP	NA	NA
+MJ085126	1,3,27-Octacosanetriol, 1-O-?-D-Glucopyranoside 	C34H68O8	604.491419	NA	MeJP	NA	NA
+MJ085127	1,3,27-Octacosanetriol, 1-O-?-D-Galactopyranoside 	C34H68O8	604.491419	NA	MeJP	NA	NA
+MJ085128	1,3,27-Octacosanetriol, 1-O-?-D-Glucopyranoside 	C34H68O8	604.491419	NA	MeJP	NA	NA
+MJ085129	Drostanolone; Azine 	C40H64N2O2	604.496779	NA	MeJP	NA	NA
+HMDB07081	DG(15:0/20:3(5Z,8Z,11Z)/0:0)	C38H68O5	604.506653	NA	HMDB2010	NA	NA
+HMDB07082	DG(15:0/20:3(8Z,11Z,14Z)/0:0)	C38H68O5	604.506653	NA	HMDB2010	NA	NA
+HMDB07445	DG(20:3(5Z,8Z,11Z)/15:0/0:0)	C38H68O5	604.506653	NA	HMDB2010	NA	NA
+HMDB07474	DG(20:3(8Z,11Z,14Z)/15:0/0:0)	C38H68O5	604.506653	NA	HMDB2010	NA	NA
+MJ085130	1,1',2,2',7,8-Hexahydro-?,?-carotene-1,1'-diol; 11,12-Dihydro, di-Me ether 	C42H68O2	604.521931	NA	MeJP	NA	NA
+MJ085131	Triclobisonium(2+); Dichloride 	C36H74Cl2N2	604.522905	NA	MeJP	NA	NA
+MJ085132	4-Eicosenoic acid, (3-Hydroxy-11Z-eicosenyl) ester 	C40H76O3	604.579446	NA	MeJP	NA	NA
+MJ085133	3-Methyl-3-buten-1-ol; Hexatriacontanoyl 	C41H80O2	604.615831	NA	MeJP	NA	NA
+HMDB01163	Guanosine diphosphate mannose	C16H25N5O16P2	605.077148	NA	HMDB2010	NA	NA
+HMDB03351	GDP-glucose	C16H25N5O16P2	605.077148	NA	HMDB2010	NA	NA
+HMDB01163	Guanosine diphosphate mannose	C16H25N5O16P2	605.07715	http://www.hmdb.ca/metabolites/HMDB01163	HMDB	NA	NA
+HMDB03351	GDP-glucose	C16H25N5O16P2	605.07715	http://www.hmdb.ca/metabolites/HMDB03351	HMDB	NA	NA
+HMDB01163	Guanosine diphosphate mannose	C16H25N5O16P2	605.07715	HMDB01163	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03351	GDP-glucose	C16H25N5O16P2	605.07715	HMDB03351	PFEM_hmdb_metabocards_official	NA	NA
+MJ085134	GDPglucose 	C16H25N5O16P2	605.077152	NA	MeJP	NA	NA
+MJ085135	GDPmannose 	C16H25N5O16P2	605.077152	NA	MeJP	NA	NA
+MJ085136	Guanosine diphosphate mannose 	C16H25N5O16P2	605.077152	NA	MeJP	NA	NA
+MetaCyc03958	GDP-D-mannose [guanosine pyrophosphate mannose;guanosine diphosphomannose;guanosine diphosphate mannose;GDP-mannose;]	C16H25N5O16P2	605.077153	NA	metacyc	NA	NA
+MetaCyc03959	GDP-L-galactose []	C16H25N5O16P2	605.077153	NA	metacyc	NA	NA
+MetaCyc03960	GDP-galactose [GDP-D-galactose;]	C16H25N5O16P2	605.077153	NA	metacyc	NA	NA
+MetaCyc03961	GDP-D-glucose [GDP-glucose;]	C16H25N5O16P2	605.077153	NA	metacyc	NA	NA
+MetaCyc03962	GDP-L-gulose []	C16H25N5O16P2	605.077153	NA	metacyc	NA	NA
+C00096	GDP-mannose	C16H25N5O16P2	605.0772	NA	KEGG	NA	NA
+C00394	GDP-glucose	C16H25N5O16P2	605.0772	NA	KEGG	NA	NA
+C00395	Penicillin	C9H11N2O4SR	605.0772	NA	KEGG	NA	NA
+C01581	GDPhexose	C16H25N5O16P2	605.0772	NA	KEGG	NA	NA
+C02280	GDP-L-galactose	C16H25N5O16P2	605.0772	NA	KEGG	NA	NA
+C02281	Gelatin type IV	C16H25N5O16P2	605.0772	NA	KEGG	NA	NA
+C02282	Glutaminyl-tRNA	C20H29N7O12PR	605.0772	NA	KEGG	NA	NA
+C15925	GDP-L-gulose	C16H25N5O16P2	605.0772	NA	KEGG	NA	NA
+C16288	Pelargonidin 3-O-3'',6''-O-dimalonylglucoside	C27H25O16	605.1143	NA	KEGG	NA	NA
+PJ008285	CCCDY 	C22H31N5O9S3	605.1284	NA	PeJP	NA	NA
+MJ085137	Gadobutrol 	C18H31GdN4O9	605.133204	NA	MeJP	NA	NA
+PJ008286	CCCMF 	C23H35N5O6S4	605.147	NA	PeJP	NA	NA
+MJ085138	Dicolinium(2+) 	C16H34N2O22(+)	605.152495	NA	MeJP	NA	NA
+PJ008287	CCDEH 	C21H31N7O10S2	605.1574	NA	PeJP	NA	NA
+PJ008288	SCCMY 	C23H35N5O8S3	605.1648	NA	PeJP	NA	NA
+MJ085139	Tezosentan 	C27H27N9O6S	605.1805	NA	MeJP	NA	NA
+PJ008289	NNDDE 	C21H31N7O14	605.1929	NA	PeJP	NA	NA
+PJ008290	SCEMH 	C22H35N7O9S2	605.1938	NA	PeJP	NA	NA
+PJ008291	ACCFY 	C27H35N5O7S2	605.1978	NA	PeJP	NA	NA
+PJ008292	PDDEM 	C23H35N5O12S	605.2003	NA	PeJP	NA	NA
+PJ008293	GNDDW 	C25H31N7O11	605.2082	NA	PeJP	NA	NA
+PJ008294	PCCHF 	C26H35N7O6S2	605.209	NA	PeJP	NA	NA
+PJ008295	GSPCNE 	C22H35N7O11S	605.2116	NA	PeJP	NA	NA
+PJ008296	GMMMH 	C23H39N7O6S3	605.2124	NA	PeJP	NA	NA
+PJ008297	GTCYY 	C27H35N5O9S	605.2156	NA	PeJP	NA	NA
+PJ008298	AEEEE 	C23H35N5O14	605.2181	NA	PeJP	NA	NA
+PJ008299	NNNNM 	C21H35N9O10S	605.2228	NA	PeJP	NA	NA
+PJ008300	SPCNW 	C26H35N7O8S	605.2268	NA	PeJP	NA	NA
+PJ008301	SNQEE 	C22H35N7O13	605.2293	NA	PeJP	NA	NA
+PJ008302	STMMH 	C23H39N7O8S2	605.2302	NA	PeJP	NA	NA
+PJ008303	SSSYY 	C27H35N5O11	605.2333	NA	PeJP	NA	NA
+PJ008304	PTEEM 	C24H39N5O11S	605.2367	NA	PeJP	NA	NA
+PJ008305	PPMMM 	C25H43N5O6S3	605.2376	NA	PeJP	NA	NA
+PJ008306	SNDDR 	C21H35N9O12	605.2405	NA	PeJP	NA	NA
+PJ008307	GGSDDR 	C21H35N9O12	605.2406	NA	PeJP	NA	NA
+PJ008308	PCCQR 	C22H39N9O7S2	605.2414	NA	PeJP	NA	NA
+PJ008309	GSQEW 	C26H35N7O10	605.2446	NA	PeJP	NA	NA
+PJ008310	AQQEM 	C23H39N7O10S	605.2479	NA	PeJP	NA	NA
+PJ008311	NFYY 	C31H35N5O8	605.2486	NA	PeJP	NA	NA
+PJ008312	PPDMF 	C28H39N5O8S	605.252	NA	PeJP	NA	NA
+PJ008313	SLEEE 	C24H39N5O13	605.2545	NA	PeJP	NA	NA
+PJ008314	PVEMM 	C25H43N5O8S2	605.2553	NA	PeJP	NA	NA
+PJ008315	SPEHH 	C25H35N9O9	605.2558	NA	PeJP	NA	NA
+MJ085140	Osanetant 	C35H41Cl2N3O2	605.257582	NA	MeJP	NA	NA
+PJ008316	GNEMR 	C22H39N9O9S	605.2592	NA	PeJP	NA	NA
+PJ008317	SQWW 	C30H35N7O7	605.2598	NA	PeJP	NA	NA
+PJ008318	AAQMW 	C27H39N7O7S	605.2632	NA	PeJP	NA	NA
+PJ008319	SNKEE 	C23H39N7O12	605.2657	NA	PeJP	NA	NA
+PJ008320	PCQKM 	C24H43N7O7S2	605.2666	NA	PeJP	NA	NA
+PJ008321	GQQHH 	C24H35N11O8	605.267	NA	PeJP	NA	NA
+PJ008322	PPTEY 	C28H39N5O10	605.2697	NA	PeJP	NA	NA
+PJ008323	GCDRR 	C21H39N11O8S	605.2704	NA	PeJP	NA	NA
+2715	erythromycin inhibitor	MINQT	605.2723	NA	Inhouse_peptide	NA	peptide
+PJ008324	VVEEM 	C25H43N5O10S	605.2731	NA	PeJP	NA	NA
+MJ085141	Anthraserpine; 11-Demethoxy, 4',5'-dimethoxy 	C33H39N3O8	605.273715	NA	MeJP	NA	NA
+PJ008325	NMRW 	C26H39N9O6S	605.2744	NA	PeJP	NA	NA
+PJ008326	SSQER 	C22H39N9O11	605.2769	NA	PeJP	NA	NA
+PJ008327	PCCKR 	C23H43N9O6S2	605.2778	NA	PeJP	NA	NA
+PJ008328	ASDKW 	C27H39N7O9	605.2809	NA	PeJP	NA	NA
+PJ008329	GSKEW 	C27H39N7O9	605.281	NA	PeJP	NA	NA
+PJ008330	AQKEM 	C24H43N7O9S	605.2843	NA	PeJP	NA	NA
+PJ008331	PPVMY 	C29H43N5O7S	605.2883	NA	PeJP	NA	NA
+PJ008332	GSTRW 	C26H39N9O8	605.2922	NA	PeJP	NA	NA
+PJ008333	ATQMR 	C23H43N9O8S	605.2955	NA	PeJP	NA	NA
+PJ008334	GDKMR 	C23H43N9O8S	605.2956	NA	PeJP	NA	NA
+PJ008335	SKWW 	C31H39N7O6	605.2962	NA	PeJP	NA	NA
+PJ008336	AAKMW 	C28H43N7O6S	605.2996	NA	PeJP	NA	NA
+PJ008337	SDKKE 	C24H43N7O11	605.3021	NA	PeJP	NA	NA
+PJ008338	PCKKM 	C25H47N7O6S2	605.3029	NA	PeJP	NA	NA
+PJ008339	GQKHH 	C25H39N11O7	605.3034	NA	PeJP	NA	NA
+PJ008340	PVVEY 	C29H43N5O9	605.3061	NA	PeJP	NA	NA
+PJ008341	GSMRR 	C22H43N11O7S	605.3068	NA	PeJP	NA	NA
+PJ008342	HFFR 	C30H39N9O5	605.3074	NA	PeJP	NA	NA
+PJ008343	TLLEM 	C26H47N5O9S	605.3095	NA	PeJP	NA	NA
+PJ008344	SSKER 	C23H43N9O10	605.3133	NA	PeJP	NA	NA
+PJ008345	ATTKW 	C28H43N7O8	605.3173	NA	PeJP	NA	NA
+MJ085142	Nazumamide A 	C28H43N7O8	605.317311	NA	MeJP	NA	NA
+PJ008346	GGGGVLF 	C28H43N7O8	605.3174	NA	PeJP	NA	NA
+PJ008347	AKKEM 	C25H47N7O8S	605.3207	NA	PeJP	NA	NA
+MJ085143	Amphibine H 	C33H43N5O6	605.321334	NA	MeJP	NA	NA
+PJ008348	PPVFF 	C33H43N5O6	605.3214	NA	PeJP	NA	NA
+PJ008349	SSTRR 	C22H43N11O9	605.3245	NA	PeJP	NA	NA
+PJ008350	PVLMF 	C30H47N5O6S	605.3247	NA	PeJP	NA	NA
+PJ008351	VLLMM 	C27H51N5O6S2	605.3281	NA	PeJP	NA	NA
+PJ008352	GVQFR 	C27H43N9O7	605.3286	NA	PeJP	NA	NA
+MJ085144	Detajmium (1+); Hydrogen tartrate (1:1) 	C31H47N3O9	605.33123	NA	MeJP	NA	NA
+PJ008353	ATKMR 	C24H47N9O7S	605.3319	NA	PeJP	NA	NA
+PJ008354	TTKKE 	C25H47N7O10	605.3385	NA	PeJP	NA	NA
+PJ008355	QFRR 	C26H43N11O6	605.3398	NA	PeJP	NA	NA
+PJ008356	PTLLY 	C30H47N5O8	605.3425	NA	PeJP	NA	NA
+PJ008357	TTTKR 	C24H47N9O9	605.3497	NA	PeJP	NA	NA
+PJ008358	APKKY 	C29H47N7O7	605.3537	NA	PeJP	NA	NA
+PJ008359	SLKKM 	C26H51N7O7S	605.3571	NA	PeJP	NA	NA
+PJ008360	GVKFR 	C28H47N9O6	605.365	NA	PeJP	NA	NA
+EUR763	Lyso PC 20:3 [M-H+acetate]-	C28H52NO7P	605.369242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR763	Lyso PC 20:3 [M-H+acetate]-	C28H52NO7P	605.369242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR763	Lyso PC 20:3 [M-H+acetate]-	C28H52NO7P	605.369242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR763	Lyso PC 20:3 [M-H+acetate]-	C28H52NO7P	605.369242	masses lipides attendues	Inhousejuil11	NA	NA
+PJ008361	KFRR 	C27H47N11O5	605.3762	NA	PeJP	NA	NA
+MJ085145	Destruxin A5 	C31H51N5O7	605.378849	NA	MeJP	NA	NA
+PJ008362	VVLLY 	C31H51N5O7	605.3789	NA	PeJP	NA	NA
+PJ008363	ALKKF 	C30H51N7O6	605.3901	NA	PeJP	NA	NA
+MJ085146	2-(2-Acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethylpyridinium(1+) 	C34H60N3O6(+)	605.440386	NA	MeJP	NA	NA
+HMDB10406	LysoPC(24:1(15Z))	C32H64NO7P	605.442017	NA	HMDB2010	NA	NA
+EUR804	Lyso PC 24:1 monoisotopic mass 	C32H64NO7P	605.442042	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR804	Lyso PC 24:1 monoisotopic mass 	C32H64NO7P	605.442042	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR804	Lyso PC 24:1 monoisotopic mass 	C32H64NO7P	605.442042	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR804	Lyso PC 24:1 monoisotopic mass 	C32H64NO7P	605.442042	masses lipides attendues	Inhousejuil11	NA	NA
+MJ085147	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 3-Bromo, 2'-Me ether 	C13H7Br5O3	605.631207	NA	MeJP	NA	NA
+MJ085148	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 5-Bromo, 6-Me ether 	C13H7Br5O3	605.631207	NA	MeJP	NA	NA
+MJ085149	Diphyllin; 6-Bromo-3,4-methylenedioxybenzoyl 	C29H19BrO10	606.016159	NA	MeJP	NA	NA
+MJ085150	1-O-Galloyl-3-O-brevifolincarboxyl-?-D-glucopyranose 	C26H22O17	606.085699	NA	MeJP	NA	NA
+MJ085151	3,3',4',5,7-Pentahydroxyflavanone(5'?5''')-3,3',4',5,7-pentahydroxyflavanone 	C30H22O14	606.100955	NA	MeJP	NA	NA
+MJ085152	Xanthoepocin 	C30H22O14	606.100955	NA	MeJP	NA	NA
+MJ085153	1,2,4-Benzenetriol; 2-Me ether, 4-O-[2,6-bis(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C27H26O16	606.122084	NA	MeJP	NA	NA
+MJ085154	6''-Prenylamentoflavone 	C35H26O10	606.152597	NA	MeJP	NA	NA
+MJ085155	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C28H30O15	606.15847	NA	MeJP	NA	NA
+MJ085156	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-galacturonopyranoside] 	C28H30O15	606.15847	NA	MeJP	NA	NA
+MJ085157	6,8-Dihexosyl-4',5-dihydroxy-7-methoxyflavone 	C28H30O15	606.15847	NA	MeJP	NA	NA
+MJ085158	7-Hydroxy-3',4'-methylenedioxyisoflavone; O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C28H30O15	606.15847	NA	MeJP	NA	NA
+MJ085159	Cosmosiin; 2''-?-D-Apiofuranosyl, 6''-Ac 	C28H30O15	606.15847	NA	MeJP	NA	NA
+MJ085160	Vicenin 1; 6''-O-Ac 	C28H30O15	606.15847	NA	MeJP	NA	NA
+MJ085161	?-Rhamnoisorobin; 3-O-(3-O-Acetyl-?-L-arabinofuranoside) 	C28H30O15	606.15847	NA	MeJP	NA	NA
+FL3FAACS0093	Vicenin-1 6''-O-acetate	C28H30O15	606.15847	163345-99-1	knapsack	NA	NA
+FL5FAAGS0064	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside	C28H30O15	606.15847	90332-30-2	knapsack	NA	NA
+FLIA1CGS0002	Pseudobaptigenin 7-O-laminaribioside	C28H30O15	606.15847	-	knapsack	NA	NA
+PJ008364	CCNMH 	C21H34N8O7S3	606.1713	NA	PeJP	NA	NA
+FL1C3AGS0003	4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-acetyl-6''-O-cinnamoyl)glucoside	C32H30O12	606.17372	213473-58-6	knapsack	NA	NA
+FL3FF8GS0011	Skullcapflavone I 2'-(2''-E-cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[2-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one	C32H30O12	606.17372	245472-32-6	knapsack	NA	NA
+FL3FF8GS0012	Skullcapflavone I 2'-(4''-E-Cinnamoylglucoside);5-Hydroxy-7,8-dimethoxy-2-[2-[[4-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-4H-1-benzopyran-4-one	C32H30O12	606.17372	393825-51-9	knapsack	NA	NA
+MJ085162	2',3',4,4'-Tetrahydroxychalcone, 4'-O-(2-O-Acetyl-6-O-E-cinnamoyl-?-D-glucopyranoside) 	C32H30O12	606.173726	NA	MeJP	NA	NA
+MJ085163	2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether, 2'-O-(2-O-cinnamoyl-?-D-glucopyranoside)(E-) 	C32H30O12	606.173726	NA	MeJP	NA	NA
+MJ085164	2',5,7,8-Tetrahydroxyflavone; 7,8-Di-Me ether, 2'-O-(3-O-cinnamoyl-?-D-glucopyranoside)(E-) 	C32H30O12	606.173726	NA	MeJP	NA	NA
+MJ085165	Aurasperone C; 8-Me ether 	C32H30O12	606.173726	NA	MeJP	NA	NA
+MJ085166	Flavomannin, 5?,5'?-Dihydroxy, 3,3'-di-Me ether 	C32H30O12	606.173726	NA	MeJP	NA	NA
+MJ085167	Fonsecinone A; 2,2',3,3'-Tetrahydro, 2,2'-dihydroxy 	C32H30O12	606.173726	NA	MeJP	NA	NA
+PJ008365	NDDDE 	C21H30N6O15	606.1769	NA	PeJP	NA	NA
+PJ008366	GGDDDE 	C21H30N6O15	606.177	NA	PeJP	NA	NA
+MJ085168	4-O-?-D-Glucopyranosyl-D-xylose; Pyranose-form, Hepta-Ac 	C25H34O17	606.179599	NA	MeJP	NA	NA
+MJ085169	4-O-?-D-Xylopyranosyl-D-allose; ?-Pyranose-form, Hepta-Ac 	C25H34O17	606.179599	NA	MeJP	NA	NA
+MJ085170	6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, Hepta-Ac 	C25H34O17	606.179599	NA	MeJP	NA	NA
+MJ085171	6-O-?-D-Xylopyranosyl-D-glucose; ?-Pyranose-form, Hepta-Ac 	C25H34O17	606.179599	NA	MeJP	NA	NA
+PJ008367	GSTCCH 	C21H34N8O9S2	606.189	NA	PeJP	NA	NA
+PJ008368	GGGGGPCC 	C21H34N8O9S2	606.1891	NA	PeJP	NA	NA
+PJ008369	GDDDW 	C25H30N6O12	606.1922	NA	PeJP	NA	NA
+FL2FA9GS0004	Pinocembrin 7-O-neohesperidoside 2'''-O-acetate	C29H34O14	606.19485	79541-04-1	knapsack	NA	NA
+FL2FA9GS0005	Pinocembrin 7-O-neohesperidoside 3'''-O-acetate	C29H34O14	606.19485	82206-44-8	knapsack	NA	NA
+FL2FA9GS0006	Pinocembrin 7-O-neohesperidoside 4'''-O-acetate	C29H34O14	606.19485	80443-11-4	knapsack	NA	NA
+FL2FA9GS0007	Pinocembrin 7-O-neohesperidoside 6''-O-acetate	C29H34O14	606.19485	82206-45-9	knapsack	NA	NA
+FL3FCBCS0005	Embinin	C29H34O14	606.19485	52589-13-6	knapsack	NA	NA
+MJ085172	1,3,8-Trihydroxy-6-methylanthraquinone; 1,3-Di-Me ether, 8-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085173	1,5-Bis(3,4-dihydroxyphenyl)-1-penten-4-yne; 4,4'-Di-O-?-D-glucopyranoside 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085174	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085175	4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085176	5,7-Dihydroxyflavanone, 7-O-[3-O-Acetyl-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085177	5,7-Dihydroxyflavanone, 7-O-[4-O-Acetyl-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085178	5,7-Dihydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1?6)-2-O-acetyl-?-D-glucopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085179	7-Hydroxy-3',4',5',6-tetramethoxy-4,5-methylenedioxy-2,7'-cyclolignan-9',9-olide, 7-O-?-D-Glucopyranoside 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085180	Puerol A; 2''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O14	606.194855	NA	MeJP	NA	NA
+MJ085181	Swertisin; 6''-O-?-L-Rhamopyranosyl, 4'-Me ether 	C29H34O14	606.194855	NA	MeJP	NA	NA
+PJ008370	GSPCDE 	C22H34N6O12S	606.1956	NA	PeJP	NA	NA
+PJ008371	GPPCCM 	C23H38N6O7S3	606.1964	NA	PeJP	NA	NA
+MJ085182	Ambenonium(2+); Dichloride 	C28H42Cl4N4O2	606.206187	NA	MeJP	NA	NA
+PJ008372	SSSSCH 	C21H34N8O11S	606.2068	NA	PeJP	NA	NA
+PJ008373	SPCDW 	C26H34N6O9S	606.2108	NA	PeJP	NA	NA
+PJ008374	SNEEE 	C22H34N6O14	606.2133	NA	PeJP	NA	NA
+PJ008375	PNDMM 	C23H38N6O9S2	606.2142	NA	PeJP	NA	NA
+PJ008376	MMYY 	C28H38N4O7S2	606.2182	NA	PeJP	NA	NA
+PJ008377	ACNNW 	C25H34N8O8S	606.222	NA	PeJP	NA	NA
+PJ008378	GCNQW 	C25H34N8O8S	606.2221	NA	PeJP	NA	NA
+PJ008379	SDDDR 	C21H34N8O13	606.2246	NA	PeJP	NA	NA
+PJ008380	PCCER 	C22H38N8O8S2	606.2254	NA	PeJP	NA	NA
+PJ008381	GSEEW 	C26H34N6O11	606.2286	NA	PeJP	NA	NA
+PJ008382	APCMW 	C27H38N6O6S2	606.2294	NA	PeJP	NA	NA
+C08750	Bruceantinol	C30H38O13	606.2312	NA	KEGG	NA	NA
+MJ085183	8,17-Epoxy-2,3,4,9,14-pentahydroxy-5,11-briaradien-18,7-olide; Penta-Ac 	C30H38O13	606.231241	NA	MeJP	NA	NA
+MJ085184	Bruceanol A; 15-Deacyl, 15-(4-acetoxy-3,4-dimethyl-2E-pentenoyl) 	C30H38O13	606.231241	NA	MeJP	NA	NA
+MJ085185	Bruceolide; 15-(4-Acetoxy-3,4-dimethyl-2E-pentenoyl) 	C30H38O13	606.231241	NA	MeJP	NA	NA
+MJ085186	Hydramacroside B 	C30H38O13	606.231241	NA	MeJP	NA	NA
+MJ085187	Woorenogenin; 9-O-?-D-Glucopyranoside, 9'-Ac 	C30H38O13	606.231241	NA	MeJP	NA	NA
+PJ008383	AQEEM 	C23H38N6O11S	606.2319	NA	PeJP	NA	NA
+PJ008384	GAAEEM 	C23H38N6O11S	606.232	NA	PeJP	NA	NA
+PJ008385	DFYY 	C31H34N4O9	606.2326	NA	PeJP	NA	NA
+PJ008386	PCNHH 	C24H34N10O7S	606.2333	NA	PeJP	NA	NA
+MJ085188	Maytansinol; 3-Ac 	C30H39ClN2O9	606.234408	NA	MeJP	NA	NA
+MJ085189	Maytansinol; N-De-Me, 3-O-propanoyl 	C30H39ClN2O9	606.234408	NA	MeJP	NA	NA
+C09370	Cancentrine	C36H34N2O7	606.2366	NA	KEGG	NA	NA
+MJ085190	Cancentrine 	C36H34N2O7	606.236601	NA	MeJP	NA	NA
+MJ085191	Cheratamine 	C36H34N2O7	606.236601	NA	MeJP	NA	NA
+MJ085192	Punjabine; Me ether 	C36H34N2O7	606.236601	NA	MeJP	NA	NA
+MJ085193	Sciadoline; 1''-Hydroxy 	C36H34N2O7	606.236601	NA	MeJP	NA	NA
+MJ085194	Secolucidine 	C36H34N2O7	606.236601	NA	MeJP	NA	NA
+PJ008387	SSNNW 	C25H34N8O10	606.2398	NA	PeJP	NA	NA
+PJ008388	GDEMR 	C22H38N8O10S	606.2432	NA	PeJP	NA	NA
+PJ008389	SEWW 	C30H34N6O8	606.2438	NA	PeJP	NA	NA
+CJneg0651	Indoleacetyl glutamine [(2M-H)]-	C30H33N6O8	606.244325	C18rt(min)=6.05 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0651	Indoleacetyl glutamine [(2M-H)]-	C30H33N6O8	606.244325	C18rt(min)=6.05 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+MJ085195	Nomilinic acid; Lactone, O-de-Ac, O-(4-methoxybenzoyl) 	C34H38O10	606.246497	NA	MeJP	NA	NA
+PJ008390	AAEMW 	C27H38N6O8S	606.2472	NA	PeJP	NA	NA
+MetaCyc03963	pheophorbide b [pheide b;]	C35H34N4O6	606.247835	NA	metacyc	NA	NA
+PJ008391	SDKEE 	C23H38N6O13	606.2497	NA	PeJP	NA	NA
+PJ008392	PTQMM 	C24H42N6O8S2	606.2506	NA	PeJP	NA	NA
+PJ008393	ANEHH 	C24H34N10O9	606.251	NA	PeJP	NA	NA
+PJ008394	GQEHH 	C24H34N10O9	606.2511	NA	PeJP	NA	NA
+PJ008395	MFFY 	C32H38N4O6S	606.2512	NA	PeJP	NA	NA
+MJ085196	Penstemide; 4'-O-?-D-Allopyranoside 	C27H42O15	606.25237	NA	MeJP	NA	NA
+MJ085197	Penstemide; 4'-O-?-D-Glucopyranoside 	C27H42O15	606.25237	NA	MeJP	NA	NA
+MJ085198	Penstemide; 6'-O-?-D-Glucopyranoside 	C27H42O15	606.25237	NA	MeJP	NA	NA
+PJ008396	SCNQR 	C21H38N10O9S	606.2544	NA	PeJP	NA	NA
+MJ085199	Akuammiline; 5?,10-Dimethoxy, O-de-Ac, O-(3,4,5-trimethoxybenzoyl) 	C33H38N2O9	606.25773	NA	MeJP	NA	NA
+MJ085200	Deserpideine; 11-Methoxy 	C33H38N2O9	606.25773	NA	MeJP	NA	NA
+PJ008397	DMRW 	C26H38N8O7S	606.2584	NA	PeJP	NA	NA
+PJ008398	GGGCKW 	C26H38N8O7S	606.2585	NA	PeJP	NA	NA
+PJ008399	SSEER 	C22H38N8O12	606.2609	NA	PeJP	NA	NA
+PJ008400	GGGSSDK 	C22H38N8O12	606.261	NA	PeJP	NA	NA
+PJ008401	PTCMR 	C23H42N8O7S2	606.2618	NA	PeJP	NA	NA
+PJ008402	CLWW 	C31H38N6O5S	606.2625	NA	PeJP	NA	NA
+PJ008403	ATTEW 	C27H38N6O10	606.265	NA	PeJP	NA	NA
+PJ008404	QHHW 	C28H34N10O6	606.2663	NA	PeJP	NA	NA
+C09074	Clerodendrin A	C31H42O12	606.2676	NA	KEGG	NA	NA
+MJ085201	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3-Diangeloyl, 8-butanoyl, 10-Ac 	C31H42O12	606.267626	NA	MeJP	NA	NA
+MJ085202	4,18-Epoxy-1,3,6,19-tetrahydroxy-13-cleroden-15,16-olide, 19-(3-Hydroxy-2-methylenebutanoyl), 1,3,6-tri-Ac 	C31H42O12	606.267626	NA	MeJP	NA	NA
+MJ085203	4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylbutanoyl), 6,19-di-Ac 	C31H42O12	606.267626	NA	MeJP	NA	NA
+PJ008405	AKEEM 	C24H42N6O10S	606.2683	NA	PeJP	NA	NA
+PJ008406	VYYY 	C32H38N4O8	606.269	NA	PeJP	NA	NA
+PJ008407	GSSSNR 	C21H38N10O11	606.2722	NA	PeJP	NA	NA
+MJ085204	Cepharanthine 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085205	Coclobine 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085206	Dehatrine 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085207	Epistephanine 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085208	Insularoline 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085209	Medelline 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085210	Ocotosine 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085211	Pachygonamine; N2,N2',O6-Tri-Me 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085212	Thalmethine; Me ether 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+MJ085213	Warifteine; 7'-Me ether 	C37H38N2O6	606.272986	NA	MeJP	NA	NA
+C09391	Cepharanthine	C37H38N2O6	606.273	NA	KEGG	NA	NA
+PJ008408	GPDRY 	C26H38N8O9	606.2762	NA	PeJP	NA	NA
+PJ008409	ATEMR 	C23H42N8O9S	606.2796	NA	PeJP	NA	NA
+PJ008410	AAPYW 	C31H38N6O7	606.2802	NA	PeJP	NA	NA
+MJ085214	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-Cinnamoyl, 2,9,10-tri-Ac 	C35H42O9	606.282882	NA	MeJP	NA	NA
+MJ085215	4(20),11-Taxadiene-5,7,9,10,13-pentol, 13-Ketone, 5-cinnamoyl(E-), 7,9,10-tri-Ac 	C35H42O9	606.282882	NA	MeJP	NA	NA
+MJ085216	Nimbolinin B; O7-Detigloyl, O7-benzoyl, O1-de-Ac 	C35H42O9	606.282882	NA	MeJP	NA	NA
+MJ085217	Pregn-5-ene-3,7,8,12,14,17,20-heptol, 12,20-Dibenzoyl 	C35H42O9	606.282882	NA	MeJP	NA	NA
+MJ085218	Taxuspine C 	C35H42O9	606.282882	NA	MeJP	NA	NA
+MJ085219	Zuelanin; ?13(16)-Isomer, 2?-acetoxy, 6?-cinnamoyloxy 	C35H42O9	606.282882	NA	MeJP	NA	NA
+PJ008411	GTLMW 	C28H42N6O7S	606.2836	NA	PeJP	NA	NA
+PJ008412	FFFF 	C36H38N4O5	606.2842	NA	PeJP	NA	NA
+PJ008413	TTKEE 	C24H42N6O12	606.2861	NA	PeJP	NA	NA
+PJ008414	PTKMM 	C25H46N6O7S2	606.287	NA	PeJP	NA	NA
+PJ008415	GNNFR 	C25H38N10O8	606.2874	NA	PeJP	NA	NA
+PJ008416	GGGGGFR 	C25H38N10O8	606.2875	NA	PeJP	NA	NA
+PJ008417	SCNKR 	C22H42N10O8S	606.2908	NA	PeJP	NA	NA
+PJ008418	APPHW 	C30H38N8O6	606.2915	NA	PeJP	NA	NA
+MJ085220	Arenastatin A 	C34H42N2O8	606.294116	NA	MeJP	NA	NA
+PJ008419	GPMFR 	C27H42N8O6S	606.2948	NA	PeJP	NA	NA
+PJ008420	TTTER 	C23H42N8O11	606.2973	NA	PeJP	NA	NA
+PJ008421	GLMMR 	C24H46N8O6S2	606.2982	NA	PeJP	NA	NA
+PJ008422	GTHHR 	C24H38N12O7	606.2987	NA	PeJP	NA	NA
+PJ008423	STTLW 	C28H42N6O9	606.3013	NA	PeJP	NA	NA
+PJ008424	APKEY 	C28H42N6O9	606.3014	NA	PeJP	NA	NA
+PJ008425	KHHW 	C29H38N10O5	606.3027	NA	PeJP	NA	NA
+MJ085221	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-?-L-glucopyranoside), 6-Ac 	C32H46O11	606.304012	NA	MeJP	NA	NA
+MJ085222	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,12-Bis(2-methylpropanoyl), 6,19-di-Ac 	C32H46O11	606.304012	NA	MeJP	NA	NA
+MJ085223	4,18:11,16:15,16-Triepoxy-14-clerodene-6,19-diol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac 	C32H46O11	606.304012	NA	MeJP	NA	NA
+MJ085224	8,17-Epoxy-2,4,9,11,12-pentahydroxy-5,13-briaradien-18,7-olide, 4-Octanoyl, 2,9-di-Ac 	C32H46O11	606.304012	NA	MeJP	NA	NA
+PJ008426	SLKEM 	C25H46N6O9S	606.3047	NA	PeJP	NA	NA
+PJ008427	APTRY 	C27H42N8O8	606.3126	NA	PeJP	NA	NA
+PJ008428	STLMR 	C24H46N8O8S	606.3159	NA	PeJP	NA	NA
+PJ008429	VTTMR 	C24H46N8O8S	606.316	NA	PeJP	NA	NA
+PJ008430	AALFW 	C32H42N6O6	606.3166	NA	PeJP	NA	NA
+MJ085225	Fulvestrant 	C32H47F5O3S	606.316607	NA	MeJP	NA	NA
+MJ085226	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2,4,6,8,10-Tetradecapentaenoyl), 13-Ac 	C36H46O8	606.319268	NA	MeJP	NA	NA
+MJ085227	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-(2,4,6,8,10-Tetradecapentaenoyl), 12-Ac 	C36H46O8	606.319268	NA	MeJP	NA	NA
+MJ085228	Atrataphloroglucinol A; 8'-Ethyl 	C36H46O8	606.319268	NA	MeJP	NA	NA
+PJ008431	PCLKF 	C29H46N6O6S	606.32	NA	PeJP	NA	NA
+PJ008432	SSSTLL 	C25H46N6O11	606.3225	NA	PeJP	NA	NA
+PJ008433	VVKMM 	C26H50N6O6S2	606.3234	NA	PeJP	NA	NA
+PJ008434	EFRR 	C26H42N10O7	606.3238	NA	PeJP	NA	NA
+PJ008435	VFRW 	C31H42N8O5	606.3278	NA	PeJP	NA	NA
+7470	coeliac toxic peptide	VIQVGGSNVLDI	606.3289	MH2+	Inhouse_peptide	NA	peptide
+PJ008436	GSSTKK 	C24H46N8O10	606.3337	NA	PeJP	NA	NA
+PJ008437	SPLKY 	C29H46N6O8	606.3377	NA	PeJP	NA	NA
+HMDB10361	(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)	C33H50O10	606.340393	NA	HMDB2010	NA	NA
+MJ085229	Tautomycetin 	C33H50O10	606.340397	NA	MeJP	NA	NA
+MJ085230	N-[N-[N-(N,N-Di-2-propenyl-L-tyrosyl)-2-methylalanyl]-L-phenylalanyl]-L-leucine 	C34H46N4O6	606.341735	NA	MeJP	NA	NA
+PJ008438	GVLRY 	C28H46N8O7	606.349	NA	PeJP	NA	NA
+PJ008439	TCKKK 	C25H50N8O7S	606.3523	NA	PeJP	NA	NA
+PJ008440	LRRY 	C27H46N10O6	606.3602	NA	PeJP	NA	NA
+MJ085231	Candida bombicola Sophorolipid lactone; 9'',10''-Dihydro 	C30H54O12	606.361527	NA	MeJP	NA	NA
+MJ085232	Superstolide A; 25-Deoxy, 24,25-didehydro 	C36H50N2O6	606.366887	NA	MeJP	NA	NA
+PJ008441	ALLKY 	C30H50N6O7	606.3741	NA	PeJP	NA	NA
+MJ085233	3-(4-Deoxy-?-L-xylo-hexopyranosyl)-4-hydroxy-6-[2-hydroxy-7-(hydroxymethyl)-1,1,5,9,11-pentamethyl-3,5,8-heptadecatrienyl]-2H-pyran-2-one 	C34H54O9	606.376783	NA	MeJP	NA	NA
+MJ085234	Fusapyrone 	C34H54O9	606.376783	NA	MeJP	NA	NA
+MJ085235	Roxaticin 	C34H54O9	606.376783	NA	MeJP	NA	NA
+PJ008442	GKKKF 	C29H50N8O6	606.3854	NA	PeJP	NA	NA
+MJ085236	Deacylantibiotic NF 00659 A; 12-Deoxy, 3-(8-methyl-2,4,6-decadienoyl)(E,E)- 	C38H54O6	606.392039	NA	MeJP	NA	NA
+MJ085237	Taiwaniadduct H 	C38H54O6	606.392039	NA	MeJP	NA	NA
+MJ085238	Mirabimides; Mirabimide B 	C32H54N4O7	606.39925	NA	MeJP	NA	NA
+MJ085239	Mirabimides; Mirabimide C 	C32H54N4O7	606.39925	NA	MeJP	NA	NA
+MJ085240	Rakicidin A 	C32H54N4O7	606.39925	NA	MeJP	NA	NA
+MJ085241	12-Oleanene-3,21,22,24-tetrol, 22-O-?-L-Arabinopyranoside 	C35H58O8	606.413168	NA	MeJP	NA	NA
+MJ085242	12-Oleanene-3,21,22,28-tetrol, 28-?-D-Xylopyranoside 	C35H58O8	606.413168	NA	MeJP	NA	NA
+MJ085243	3,11,16-Trihydroxycycloartan-24-one, 16-O-?-L-Arabinopyranoside 	C35H58O8	606.413168	NA	MeJP	NA	NA
+MJ085244	Bengazole Z; O6-Heneicosanoyl 	C34H58N2O7	606.424402	NA	MeJP	NA	NA
+MJ085245	14-Serratene-3,21-diol, 3-O-(3,4-Dihydroxyphenylpropanoyl) 	C39H58O5	606.428424	NA	MeJP	NA	NA
+MJ085246	2,3,27-Ursanetriol, 27-(4-Hydroxycinnamoyl) 	C39H58O5	606.428424	NA	MeJP	NA	NA
+MJ085247	Dammar-24-ene-3,20,26-triol, 3-(4-Hydroxycinnamoyl) (E-) 	C39H58O5	606.428424	NA	MeJP	NA	NA
+MJ085248	Dammar-24-ene-3,20-diol, 3-(3,4-Dihydroxycinnamoyl) 	C39H58O5	606.428424	NA	MeJP	NA	NA
+MJ085249	Isoozic acid dimer; 13'-Nor, 13'-oxo 	C39H58O5	606.428424	NA	MeJP	NA	NA
+MJ085250	2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13-Tetrahydro, 10,11-dihydroxy, 11-O-?-D-mannopyranoside 	C36H62O7	606.449554	NA	MeJP	NA	NA
+C08712	Staphidine	C42H58N2O	606.4549	NA	KEGG	NA	NA
+MJ085251	Staphisine; Demethoxy 	C42H58N2O	606.454914	NA	MeJP	NA	NA
+MJ085252	Asiminenin A 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085253	Coriacin; 4-Deoxy 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085254	Coriadienin 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085255	Giganenin 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085256	Gigantetronenin; 4-Deoxy 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085257	Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-ditetradecanoate 2-(2E,4E-hexadienoate) 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085258	Reticulatain 1; 21-Epimer, 10-oxo 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085259	Rollidecin D 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085260	Squamocin L 	C37H66O6	606.485939	NA	MeJP	NA	NA
+MJ085261	Venezenin 	C37H66O6	606.485939	NA	MeJP	NA	NA
+HMDB07080	DG(15:0/20:2(11Z,14Z)/0:0)	C38H70O5	606.522339	NA	HMDB2010	NA	NA
+HMDB07416	DG(20:2(11Z,14Z)/15:0/0:0)	C38H70O5	606.522339	NA	HMDB2010	NA	NA
+7472	coeliac toxic peptide	VIRVGGASEVEV	606.826	MH2+	Inhouse_peptide	NA	peptide
+HMDB00304	Uridine diphosphate-N-acetylgalactosamine	C17H27N3O17P2	607.08154	http://www.hmdb.ca/metabolites/HMDB00304	HMDB	NA	NA
+HMDB00304	Uridine diphosphate-N-acetylgalactosamine	C17H27N3O17P2	607.08154	HMDB00304	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00290	Uridine diphosphate-N-acetylglucosamine	C17H27N3O17P2	607.081543	NA	HMDB2010	NA	NA
+HMDB00304	Uridine diphosphate-N-acetylgalactosamine	C17H27N3O17P2	607.081543	NA	HMDB2010	NA	NA
+MJ085262	UDP-N-acetyl-D-galactosamine 	C17H27N3O17P2	607.081569	NA	MeJP	NA	NA
+MJ085263	UDP-N-acetyl-D-glucosamine 	C17H27N3O17P2	607.081569	NA	MeJP	NA	NA
+MJ085264	UDP-N-acetyl-D-mannosamine 	C17H27N3O17P2	607.081569	NA	MeJP	NA	NA
+MetaCyc03964	UDP-N-acetyl-D-galactosamine [UDP-N-acetylgalactosamine;uridine diphosphate N-acetylgalactosamine;]	C17H27N3O17P2	607.081569	7277-98-7	metacyc	NA	NA
+MetaCyc03965	UDP-N-acetyl-D-glucosamine [UDP-acetyl-D-glucosamine;UDP-GlcNAc;UDP-N-acetyl-glucosamine;uridine diphosphate N-acetylglucosamine;N-[2-[[[5-[(2,4-dioxo-1H-pyrimidin-1-yl)]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide;]	C17H27N3O17P2	607.081569	528-04-1	metacyc	NA	NA
+MetaCyc03966	UDP-N-acetyl-D-mannosamine [uridine diphosphate N-acetylmannosamine;uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-&alpha;-D-mannopyranosyl) ester;UDP-acetylmannosamine;UDP-ManNAc;]	C17H27N3O17P2	607.081569	NA	metacyc	NA	NA
+C00043	UDP-N-acetyl-D-glucosamine	C17H27N3O17P2	607.0816	NA	KEGG	NA	NA
+C00203	UDP-N-acetyl-D-galactosamine	C17H27N3O17P2	607.0816	NA	KEGG	NA	NA
+C01170	UDP-N-acetyl-D-mannosamine	C17H27N3O17P2	607.0816	NA	KEGG	NA	NA
+PJ008443	CCDMH 	C21H33N7O8S3	607.1553	NA	PeJP	NA	NA
+PJ008444	DDDDE 	C21H29N5O16	607.161	NA	PeJP	NA	NA
+PJ008445	GPCCND 	C21H33N7O10S2	607.1731	NA	PeJP	NA	NA
+PJ008446	GCCYY 	C26H33N5O8S2	607.1771	NA	PeJP	NA	NA
+MJ085265	Geodiamolide G; Bromo analogue 	C28H38BrN3O7	607.189313	NA	MeJP	NA	NA
+MJ085266	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[L-Rhamnopyranosylamino-(1?6)-6-deoxy-?-D-glucopyranoside] 	C28H33NO14	607.190104	NA	MeJP	NA	NA
+PJ008447	NNDDM 	C21H33N7O12S	607.1908	NA	PeJP	NA	NA
+PJ008448	SCMMH 	C22H37N7O7S3	607.1917	NA	PeJP	NA	NA
+PJ008449	SDEEE 	C22H33N5O15	607.1973	NA	PeJP	NA	NA
+PJ008450	PDDMM 	C23H37N5O10S2	607.1982	NA	PeJP	NA	NA
+MetaCyc03967	7''-O-phosphohygromycin []	C20H38N3O16P1	607.198969	NA	metacyc	NA	NA
+C03368	7''-O-Phosphohygromycin	C20H38N3O16P	607.199	NA	KEGG	NA	NA
+C03371	Acyl-protein thioester	C20H38N3O16P	607.199	NA	KEGG	NA	NA
+C03372	Acylglycerone phosphate	C4H6O7PR	607.199	NA	KEGG	NA	NA
+PJ008451	GSCNNN 	C20H33N9O11S	607.202	NA	PeJP	NA	NA
+PJ008452	GGGSCNN 	C20H33N9O11S	607.2021	NA	PeJP	NA	NA
+PJ008453	GCNEW 	C25H33N7O9S	607.2061	NA	PeJP	NA	NA
+PJ008454	GSSNDE 	C21H33N7O14	607.2086	NA	PeJP	NA	NA
+PJ008455	GSPCNM 	C22H37N7O9S2	607.2094	NA	PeJP	NA	NA
+PJ008456	PDDDF 	C26H33N5O12	607.2126	NA	PeJP	NA	NA
+PJ008457	AEEEM 	C23H37N5O12S	607.216	NA	PeJP	NA	NA
+PJ008458	PCDHH 	C24H33N9O8S	607.2173	NA	PeJP	NA	NA
+PJ008459	CNWW 	C29H33N7O6S	607.2213	NA	PeJP	NA	NA
+PJ008460	SSNDW 	C25H33N7O11	607.2238	NA	PeJP	NA	NA
+PJ008461	ACMHF 	C26H37N7O6S2	607.2247	NA	PeJP	NA	NA
+MJ085267	1,2,3,4,6,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1,2,6,14-tetra-Ac 	C29H37NO13	607.22649	NA	MeJP	NA	NA
+PJ008462	SNQEM 	C22H37N7O11S	607.2272	NA	PeJP	NA	NA
+PJ008463	PPCEY 	C27H37N5O9S	607.2312	NA	PeJP	NA	NA
+PJ008464	TTEEE 	C23H37N5O14	607.2337	NA	PeJP	NA	NA
+PJ008465	PTEMM 	C24H41N5O9S2	607.2346	NA	PeJP	NA	NA
+PJ008466	GEEHH 	C24H33N9O10	607.2351	NA	PeJP	NA	NA
+PJ008467	SCNER 	C21H37N9O10S	607.2384	NA	PeJP	NA	NA
+PJ008468	SVCNW 	C26H37N7O8S	607.2424	NA	PeJP	NA	NA
+PJ008469	GSQMW 	C26H37N7O8S	607.2425	NA	PeJP	NA	NA
+PJ008470	GSSSSSP 	C22H37N7O13	607.2449	NA	PeJP	NA	NA
+PJ008471	GSSTQE 	C22H37N7O13	607.245	NA	PeJP	NA	NA
+PJ008472	AQQMM 	C23H41N7O8S2	607.2458	NA	PeJP	NA	NA
+PJ008473	SNNHH 	C23H33N11O9	607.2463	NA	PeJP	NA	NA
+PJ008474	APEEY 	C27H37N5O11	607.249	NA	PeJP	NA	NA
+PJ008475	EHHW 	C28H33N9O7	607.2503	NA	PeJP	NA	NA
+PJ008476	SLEEM 	C24H41N5O11S	607.2523	NA	PeJP	NA	NA
+PJ008477	VTEEM 	C24H41N5O11S	607.2524	NA	PeJP	NA	NA
+PJ008478	PVMMM 	C25H45N5O6S3	607.2532	NA	PeJP	NA	NA
+PJ008479	GSCRW 	C25H37N9O7S	607.2537	NA	PeJP	NA	NA
+PJ008480	GSSSDR 	C21H37N9O12	607.2562	NA	PeJP	NA	NA
+PJ008481	GNMMR 	C22H41N9O7S2	607.2571	NA	PeJP	NA	NA
+PJ008482	SSTQW 	C26H37N7O10	607.2602	NA	PeJP	NA	NA
+PJ008483	SNKEM 	C23H41N7O10S	607.2636	NA	PeJP	NA	NA
+PJ008484	PPTMY 	C28H41N5O8S	607.2676	NA	PeJP	NA	NA
+PJ008485	ACCRR 	C21H41N11O6S2	607.2683	NA	PeJP	NA	NA
+PJ008486	VVEMM 	C25H45N5O8S2	607.271	NA	PeJP	NA	NA
+PJ008487	SVEHH 	C25H37N9O9	607.2714	NA	PeJP	NA	NA
+PJ008488	GNDFR 	C25H37N9O9	607.2715	NA	PeJP	NA	NA
+PJ008489	SSQMR 	C22H41N9O9S	607.2748	NA	PeJP	NA	NA
+PJ008490	QQFW 	C30H37N7O7	607.2755	NA	PeJP	NA	NA
+7061	coeliac toxic peptide	QPQQSFPQQQ	607.276	MH2+	Inhouse_peptide	NA	peptide
+MJ085268	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1-(2-methylpropanoyl), 8-Ac 	C34H41NO9	607.278131	NA	MeJP	NA	NA
+MJ085269	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 8-(2-methylpropanoyl), 1-Ac 	C34H41NO9	607.278131	NA	MeJP	NA	NA
+PJ008491	GSKMW 	C27H41N7O7S	607.2788	NA	PeJP	NA	NA
+PJ008492	GGPCKF 	C27H41N7O7S	607.2789	NA	PeJP	NA	NA
+PJ008493	GSSTKE 	C23H41N7O12	607.2813	NA	PeJP	NA	NA
+PJ008494	AQKMM 	C24H45N7O7S2	607.2822	NA	PeJP	NA	NA
+PJ008495	SPLEY 	C28H41N5O10	607.2854	NA	PeJP	NA	NA
+PJ008496	SSCRR 	C21H41N11O8S	607.286	NA	PeJP	NA	NA
+PJ008497	APHHF 	C29H37N9O6	607.2867	NA	PeJP	NA	NA
+PJ008498	ALMHH 	C26H41N9O6S	607.2901	NA	PeJP	NA	NA
+PJ008499	GSSTTR 	C22H41N9O11	607.2926	NA	PeJP	NA	NA
+PJ008500	ACKMR 	C23H45N9O6S2	607.2934	NA	PeJP	NA	NA
+PJ008501	VCCKR 	C23H45N9O6S2	607.2935	NA	PeJP	NA	NA
+PJ008502	SSTKW 	C27H41N7O9	607.2966	NA	PeJP	NA	NA
+PJ008503	SDKKM 	C24H45N7O9S	607.3	NA	PeJP	NA	NA
+PJ008504	PPTFF 	C32H41N5O7	607.3006	NA	PeJP	NA	NA
+2899	neuropeptide from eyestalk of Macrobrachium rosenb	NYDKNFLRF~	607.30335	MH2+	Inhouse_peptide	NA	peptide
+PJ008505	PVVMY 	C29H45N5O7S	607.304	NA	PeJP	NA	NA
+2577	calreticulin	QEQVPLVQQF	607.307	MH2+	Inhouse_peptide	NA	peptide
+PJ008506	TLLMM 	C26H49N5O7S2	607.3074	NA	PeJP	NA	NA
+PJ008507	AAQRY 	C26H41N9O8	607.3078	NA	PeJP	NA	NA
+PJ008508	SSKMR 	C23H45N9O8S	607.3112	NA	PeJP	NA	NA
+C11308	Chymostatin	C31H41N7O6	607.3118	NA	KEGG	NA	NA
+MJ085270	Chymostatin; Chymostatin A 	C31H41N7O6	607.311832	NA	MeJP	NA	NA
+MJ085271	Chymostatin; Chymostatin C 	C31H41N7O6	607.311832	NA	MeJP	NA	NA
+PJ008509	QKFW 	C31H41N7O6	607.3119	NA	PeJP	NA	NA
+PJ008510	SSSSLK 	C24H45N7O11	607.3177	NA	PeJP	NA	NA
+PJ008511	AKKMM 	C25H49N7O6S2	607.3186	NA	PeJP	NA	NA
+PJ008512	NRRY 	C25H41N11O7	607.3191	NA	PeJP	NA	NA
+PJ008513	ALLEY 	C29H45N5O9	607.3217	NA	PeJP	NA	NA
+PJ008514	VVVEY 	C29H45N5O9	607.3218	NA	PeJP	NA	NA
+PJ008515	GLQKY 	C28H45N7O8	607.333	NA	PeJP	NA	NA
+PJ008516	TTKKM 	C25H49N7O8S	607.3363	NA	PeJP	NA	NA
+PJ008517	PVVFF 	C33H45N5O6	607.337	NA	PeJP	NA	NA
+PJ008518	VVLMF 	C30H49N5O6S	607.3404	NA	PeJP	NA	NA
+PJ008519	AAKRY 	C27H45N9O7	607.3442	NA	PeJP	NA	NA
+PJ008520	KKFW 	C32H45N7O5	607.3482	NA	PeJP	NA	NA
+MJ085272	Petunianine C 	C36H49NO7	607.350902	NA	MeJP	NA	NA
+MJ085273	Petuniasterone B; 22-(3-Pyridinecarbonyl) 	C36H49NO7	607.350902	NA	MeJP	NA	NA
+PJ008521	APKHR 	C26H45N11O6	607.3555	NA	PeJP	NA	NA
+PJ008522	SLLLY 	C30H49N5O8	607.3581	NA	PeJP	NA	NA
+MJ085274	Destruxin E; Destruxin E1 	C30H49N5O8	607.358113	NA	MeJP	NA	NA
+PJ008523	GLKKY 	C29H49N7O7	607.3694	NA	PeJP	NA	NA
+MJ085275	Malyngamide J 	C33H53NO9	607.372032	NA	MeJP	NA	NA
+MJ085276	Repromicin; 3-Ac 	C33H53NO9	607.372032	NA	MeJP	NA	NA
+PJ008524	PVKKH 	C28H49N9O6	607.3806	NA	PeJP	NA	NA
+EUR758	Lyso PC 20:2 [M-H+acetate]-	C28H54NO7P	607.384892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR758	Lyso PC 20:2 [M-H+acetate]-	C28H54NO7P	607.384892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR758	Lyso PC 20:2 [M-H+acetate]-	C28H54NO7P	607.384892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR758	Lyso PC 20:2 [M-H+acetate]-	C28H54NO7P	607.384892	masses lipides attendues	Inhousejuil11	NA	NA
+MJ085277	Bursaphelocide B 	C31H53N5O7	607.394499	NA	MeJP	NA	NA
+MJ085278	Destruxin B; Destruxin B1 	C31H53N5O7	607.394499	NA	MeJP	NA	NA
+MJ085279	Homodestruxin B 	C31H53N5O7	607.394499	NA	MeJP	NA	NA
+MJ085280	Roseocardin 	C31H53N5O7	607.394499	NA	MeJP	NA	NA
+PJ008525	LLLLH 	C30H53N7O6	607.4058	NA	PeJP	NA	NA
+MJ085281	Myxovirescin A; Myxovirescin A1, 2,3-Didehydro, 33-O-de-Me 	C34H57NO8	607.408417	NA	MeJP	NA	NA
+MJ085282	Myxovirescin A; Myxovirescin A1, 33-Demethoxy, 5-oxo 	C34H57NO8	607.408417	NA	MeJP	NA	NA
+MJ085283	Pingbeinine; 3-O-?-D-Glucopyranoside 	C34H57NO8	607.408417	NA	MeJP	NA	NA
+MJ085284	Myxovirescin A; Myxovirescin A1, 9-Deoxo, 2,3-didehydro 	C35H61NO7	607.444803	NA	MeJP	NA	NA
+MJ085285	Pamamycin; Pamamycin 607 	C35H61NO7	607.444803	NA	MeJP	NA	NA
+EUR799	Lyso PC 24:0 monoisotopic mass 	C32H66NO7P	607.457692	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR799	Lyso PC 24:0 monoisotopic mass 	C32H66NO7P	607.457692	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR799	Lyso PC 24:0 monoisotopic mass 	C32H66NO7P	607.457692	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR799	Lyso PC 24:0 monoisotopic mass 	C32H66NO7P	607.457692	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10405	LysoPC(24:0)	C32H66NO7P	607.457703	NA	HMDB2010	NA	NA
+MJ085286	2-Amino-4-hexadecene-1,3-diol, N-(21-Methyldocosanoyl) 	C39H77NO3	607.590345	NA	MeJP	NA	NA
+MJ085287	2,2',3,4',5-Pentabromo-3',4,6'-trihydroxydiphenyl ether 	C12H5Br5O4	607.610471	NA	MeJP	NA	NA
+2915	neuropeptide from eyestalk of Macrobrachium rosenb	GYNRSFLRFG	607.80095	MH2+	Inhouse_peptide	NA	peptide
+8298	ACE inhibitor	VTVNPYKWLP	607.82495	MH2+	Inhouse_peptide	NA	peptide
+MJ085288	3',4',5,7-Tetrahydroxyflavone; 7-O-(Disulfoglucoside) 	C21H20O17S2	608.01419	NA	MeJP	NA	NA
+MJ085289	Chlorotris(1-phenyl-1,3-butanedionato-O,O')zirconium(IV) 	C30H27ClO6Zr	608.054319	NA	MeJP	NA	NA
+MJ085290	Celenamide E 	C28H25BrN4O7	608.090661	NA	MeJP	NA	NA
+MJ085291	Technepine 	C24H33FN3O4S2Tc	608.096866	NA	MeJP	NA	NA
+MJ085292	Prodelphinidin A2; 3'-Epimer 	C30H24O14	608.116605	NA	MeJP	NA	NA
+FL3FACGS0036	Luteolin 7-glucuronide-4'-rhamnoside	C27H28O16	608.13773	58970-80-2	knapsack	NA	NA
+FL3FECGS0035	6-Hydroxyluteolin 7-[3''-(3-hydroxy-3-methylglutaryl)glucoside]	C27H28O16	608.13773	151750-80-0	knapsack	NA	NA
+FL3FECGS0036	6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside]	C27H28O16	608.13773	151750-79-7	knapsack	NA	NA
+FL3FECGS0037	6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]	C27H28O16	608.13773	151750-78-6	knapsack	NA	NA
+FL5FAAGS0030	Kaempferol 3-rhamnoside-7-galacturonide	C27H28O16	608.13773	124167-98-2	knapsack	NA	NA
+FL5FACGA0029	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]	C27H28O16	608.13773	106915-93-9	knapsack	NA	NA
+MJ085293	3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?3)-?-D-glucopyranoside] 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085294	3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?4)-?-D-glucopyranoside] 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085295	3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside] 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085296	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-?-D-glucuronopyranoside 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085297	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085298	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-galacturonopyranoside 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085299	Cosmosiin; O''-Galacturonosyl 	C27H28O16	608.137734	NA	MeJP	NA	NA
+MJ085300	Hyperin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) 	C27H28O16	608.137734	NA	MeJP	NA	NA
+PJ008526	GSCCCH 	C20H32N8O8S3	608.1506	NA	PeJP	NA	NA
+MJ085301	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 4'''-Me ether 	C31H28O13	608.15299	NA	MeJP	NA	NA
+MJ085302	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C31H28O13	608.15299	NA	MeJP	NA	NA
+MJ085303	Isovitexin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl) 	C31H28O13	608.15299	NA	MeJP	NA	NA
+FL3FAACS0035	Vitexin 2''-O-(E)-ferulate	C31H28O13	608.15299	64763-03-7	knapsack	NA	NA
+FL3FADGS0020	Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside)	C31H28O13	608.15299	103450-98-2	knapsack	NA	NA
+FL3FADGS0025	Chrysoeriol 7-(3''-Z-p-coumaroylglucoside);5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[3-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C31H28O13	608.15299	498547-25-4	knapsack	NA	NA
+FL3FEAGS0050	Hispidulin 7-(6''-E-p-Coumaroylglucoside);5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one	C31H28O13	608.15299	487040-42-6	knapsack	NA	NA
+MJ085304	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C31H29O13(+)	608.152991	NA	MeJP	NA	NA
+MJ085305	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(4-Hydroxy-3-methoxycinnamoyl), 5-O-?-D-glucopyranoside 	C31H29O13(+)	608.152991	NA	MeJP	NA	NA
+MJ085306	4-Glucosyloxy-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium(1+) 	C31H29O13(+)	608.152991	NA	MeJP	NA	NA
+PJ008527	GPCCDD 	C21H32N6O11S2	608.1571	NA	PeJP	NA	NA
+MJ085307	Beccapoline 	C37H24N2O7	608.158351	NA	MeJP	NA	NA
+MJ085308	Amentoflavone; 4',4''',5,7,7''-Penta-Me ether 	C35H28O10	608.168247	NA	MeJP	NA	NA
+C10039	Diosmin	C28H32O15	608.1741	NA	KEGG	NA	NA
+C10382	Physcion 8-gentiobioside	C28H32O15	608.1741	NA	KEGG	NA	NA
+C17834	Spinosin	C28H32O15	608.1741	NA	KEGG	NA	NA
+MJ085309	1,2,4-Trihydroxy-7-methylanthraquinone; 2-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085310	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085311	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-[?-D-galactopyranosyl-(1?4)-?-D-galactopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085312	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085313	2',3,5,7-Tetrahydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085314	3',4',6,7-Tetrahydroxyaurone; 7-Me ether, 6-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085315	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085316	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085317	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085318	3',5-Dihydroxy-4',7-dimethoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085319	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085320	3,4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 3,7-di-O-?-L-rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085321	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085322	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085323	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085324	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3,7-Di-O-?-D-rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085325	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085326	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085327	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085328	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085329	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085330	3,6-Diglucopyranosyl-4',5,7-trihydroxyflavone; 4'-Me ether 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085331	4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 6-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085332	4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085333	4',5,6,7-Tetrahydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085334	4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085335	4',5,7,8-Tetrahydroxyflavone; 8-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085336	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085337	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085338	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085339	4',5,7-Trihydroxy-3-methoxyflavone; 7-O-Rutinoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085340	4',5,7-Trihydroxy-6-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085341	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085342	4',5,7-Trihydroxy-6-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085343	4',5-Dihydroxy-3',7-dimethoxyflavone; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085344	4',5-Dihydroxy-7-methoxyflavone; 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085345	4',7-Dihydroxy-5-methoxyisoflavone; 4',7-Di-O-?-D-glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085346	5,6,7-Trihydroxy-4'-methoxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085347	5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085348	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085349	5,7-Dihydroxy-4'-methoxyisoflavone; 7-O-Gentiobioside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085350	6-C-Glucopyranosyl-4',5,7,8-tetrahydroxyflavone; 7,8-Di-Me ether, 2''-O-?-D-apiofuranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085351	8-Galactopyranosyl-6-glucopyranosyl-4',5,7-trihydroxyflavone; 7-Me ether 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085352	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 2''-O-?-L-Rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085353	Abrusin; 2''-O-?-Apiofuranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085354	Isocytisoside; 2''-O-?-D-Glucopyranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085355	Isocytisoside; 7-O-?-D-Glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085356	Isoscoparin; 2''-O-?-L-Rhamnopyranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085357	Orientin; 4'-Me ether, 2''-O-?-L-rhamnopyranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085358	Swertiajaponin; 2''-O-?-L-Rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085359	Swertiajaponin; 4'-O-?-L-Rhamnopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085360	Swertisin; 2''-O-?-D-Glucopyranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085361	Swertisin; 4''-O-?-D-Glucopyranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085362	Swertisin; 4'-O-?-D-Glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085363	Swertisin; 5-O-?-D-Glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085364	Vicenin 2; 7-Me ether 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085365	Vitexin; 4'-Me ether, 7-O-?-D-glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085366	Vitexin; 7-Me ether, 2''-O-?-D-glucopyranosyl 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085367	Vitexin; 7-Me ether, 4'-O-?-D-glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085368	Vitexin; 7-Me ether, 5-O-?-D-glucopyranoside 	C28H32O15	608.17412	NA	MeJP	NA	NA
+MJ085369	3,3',5,7-Tetrahydroxy-4'-methoxyflavylium(1+); 3-O-Rutinoside 	C28H33O15(+)	608.17412	NA	MeJP	NA	NA
+MJ085370	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H33O15(+)	608.17412	NA	MeJP	NA	NA
+MJ085371	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H33O15(+)	608.17412	NA	MeJP	NA	NA
+MJ085372	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside 	C28H33O15(+)	608.17412	NA	MeJP	NA	NA
+FL1A3CGS0009	Leptosidin 6-glucosyl-(1->4)-rhamnoside	C28H32O15	608.17412	81532-14-1	knapsack	NA	NA
+FL3FABCS0003	Isocytisoside 2''-O-glucoside	C28H32O15	608.17412	-	knapsack	NA	NA
+FL3FABCS0006	3,6-Di-C-glucopyranosylacacetin	C28H32O15	608.17412	98891-91-9	knapsack	NA	NA
+FL3FABDS0001	Isocytisoside 7-O-glucoside	C28H32O15	608.17412	61252-87-7	knapsack	NA	NA
+FL3FABDS0002	Cytisoside 7-O-glucoside	C28H32O15	608.17412	18456-23-0	knapsack	NA	NA
+FL3FADCS0011	Isoscoparin 2''-O-rhamnoside	C28H32O15	608.17412	78570-70-4	knapsack	NA	NA
+FL3FADCS0012	Scoparin 2''-O-rhamnoside	C28H32O15	608.17412	87454-40-8	knapsack	NA	NA
+FL3FADGS0009	Luteolin 3'-methyl ether 7-rutinoside	C28H32O15	608.17412	32061-83-9	knapsack	NA	NA
+FL3FADGS0023	Chrysoeriol 7-neohesperidoside;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O15	608.17412	111133-90-5	knapsack	NA	NA
+FL3FAECS0004	8-C-beta-D-Glucopyranosyldiosmetin 2''-O-rhamnoside	C28H32O15	608.17412	98891-92-0	knapsack	NA	NA
+FL3FAECS0007	8-C-Glucosyldiosmetin 4''-O-rhamnopyranoside	C28H32O15	608.17412	229471-74-3	knapsack	NA	NA
+FL3FAEGS0006	Luteolin 4'-methyl ether 7-rutinoside	C28H32O15	608.17412	520-27-4	knapsack	NA	NA
+FL3FAEGS0011	Diosmetin 7-neohesperidoside;Neodiosmin;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O15	608.17412	38665-01-9	knapsack	NA	NA
+FL3FCACS0017	Zivulgarin	C28H32O15	608.17412	108657-24-5	knapsack	NA	NA
+FL3FCACS0019	Spinosin	C28H32O15	608.17412	72063-39-9	knapsack	NA	NA
+FL3FCACS0020	Isoswertisin 2''-O-glucoside	C28H32O15	608.17412	89701-83-7	knapsack	NA	NA
+FL3FCACS0022	6,8-Di-C-glucopyranosylgenkwanin	C28H32O15	608.17412	128397-01-3	knapsack	NA	NA
+FL3FCACS0026	6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin	C28H32O15	608.17412	-	knapsack	NA	NA
+FL3FCADS0001	Flavocommelin; Flavocommelitin 4'-beta-D-glucopyranoside;Swertisin 4'-beta-D-glucopyranoside	C28H32O15	608.17412	16049-42-6	knapsack	NA	NA
+FL3FCADS0003	Isoswertisin 4'-O-glucoside	C28H32O15	608.17412	35480-14-9	knapsack	NA	NA
+FL3FCADS0004	Isoswertisin 5-O-glucoside	C28H32O15	608.17412	73051-76-0	knapsack	NA	NA
+FL3FCADS0005	Swertisin 5-O-glucoside	C28H32O15	608.17412	73051-75-9	knapsack	NA	NA
+FL3FCCCS0004	Swertiajaponin 2''-O-rhamnoside	C28H32O15	608.17412	75474-16-7	knapsack	NA	NA
+FL3FCCDS0002	Swertiajaponin 4'-O-rhamnoside	C28H32O15	608.17412	87440-82-2	knapsack	NA	NA
+FL3FCDGS0004	Luteolin 7,3'-dimethyl ether 4'-apiosyl-(1->2)-glucoside;Homoflavoyadorinin B;2-[4-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-3-methoxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O15	608.17412	30422-47-0	knapsack	NA	NA
+FL3FCEGS0002	Luteolin 7,4'-dimethyl ether 5-xylosyl-(1->6)-glucoside	C28H32O15	608.17412	50675-76-8	knapsack	NA	NA
+FL3FEACS0002	Abrusin 2''-O-beta-apiofuranoside	C28H32O15	608.17412	120727-04-0	knapsack	NA	NA
+FL3FEAGS0031	Scutellarein 6-metnyl ether 7-neohesperidoside;Hispidulin 7-neohesperidoside;7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C28H32O15	608.17412	156186-00-4	knapsack	NA	NA
+FL3FEAGS0036	Scutellarein 7,4'-dimethyl ether 6-xylosyl-(1->2)-glucoside;Gelomuloside B;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C28H32O15	608.17412	149998-39-0	knapsack	NA	NA
+FL3FEAGS0039	Hispidulin 7-rutinoside	C28H32O15	608.17412	94240-34-3	knapsack	NA	NA
+FL3FEAGS0051	Scutellarein 4'-methyl ether 7-rutinoside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O15	608.17412	485396-26-7	knapsack	NA	NA
+FL3FFACS0003	Precatorin II;6-(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C28H32O15	608.17412	211568-62-6	knapsack	NA	NA
+FL5FABGL0003	Kaempferide 3-glucoside-7-rhamnoside	C28H32O15	608.17412	93078-66-1	knapsack	NA	NA
+FL5FABGS0006	Kaempferide 3-rhamnoside-7-glucoside	C28H32O15	608.17412	89764-20-5	knapsack	NA	NA
+FL5FABGS0010	Kaempferol 4'-methyl ether 3-neohesperidoside;Kaempferide 3-O-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O15	608.17412	261159-42-6	knapsack	NA	NA
+FL5FADGS0012	Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside	C28H32O15	608.17412	121064-69-5	knapsack	NA	NA
+FL5FADGS0015	Isorhamnetin 3,7-dirhamnoside	C28H32O15	608.17412	113137-49-8	knapsack	NA	NA
+FL5FCAGL0003	Rhamnocitrin 3-neohesperidoside	C28H32O15	608.17412	129885-17-2	knapsack	NA	NA
+FL5FCAGL0004	Rhamnocitrin 3-rutinoside	C28H32O15	608.17412	73706-68-0	knapsack	NA	NA
+FL5FCCGS0006	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside	C28H32O15	608.17412	105755-71-3	knapsack	NA	NA
+FL5FDAGS0003	Isokaempferide 7-rutinoside	C28H32O15	608.17412	18467-06-6	knapsack	NA	NA
+FL5FE9GS0001	5,7-Dihydroxy-3,6-dimethoxyflavone 5-alpha-L-arabinosyl-(1->6)-glucoside;5-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one	C28H32O15	608.17412	420112-29-4	knapsack	NA	NA
+FL5FEAGS0010	6-Methoxykaempferol 3,7-dirhamnoside	C28H32O15	608.17412	124962-15-8	knapsack	NA	NA
+FL5FEAGS0011	6-Hydroxykaempferol 4'-methyl ether 3,7-dirhamnoside	C28H32O15	608.17412	58942-17-9	knapsack	NA	NA
+FLIAABGS0003	Biochanin A 7-O-gentiobioside	C28H32O15	608.17412	63770-90-1	knapsack	NA	NA
+PJ008528	NDDDM 	C21H32N6O13S	608.1748	NA	PeJP	NA	NA
+PJ008529	SPPCCC 	C22H36N6O8S3	608.1757	NA	PeJP	NA	NA
+PJ008530	GSCNND 	C20H32N8O12S	608.1861	NA	PeJP	NA	NA
+MJ085373	4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?2)-6-O-cinnamoyl-?-D-glucopyranoside] 	C32H32O12	608.189376	NA	MeJP	NA	NA
+MJ085374	4-(4-Hydroxyphenyl)-2-butanone; O-[3,4,5-Trihydroxybenzoyl-(?6)-2E-cinnamoyl-?-D-glucopyranoside] 	C32H32O12	608.189376	NA	MeJP	NA	NA
+PJ008531	GCDEW 	C25H32N6O10S	608.1901	NA	PeJP	NA	NA
+PJ008532	GSSDDE 	C21H32N6O15	608.1926	NA	PeJP	NA	NA
+PJ008533	GSPCDM 	C22H36N6O10S2	608.1935	NA	PeJP	NA	NA
+PJ008534	CNNQM 	C21H36N8O9S2	608.2047	NA	PeJP	NA	NA
+PJ008535	CDWW 	C29H32N6O7S	608.2053	NA	PeJP	NA	NA
+PJ008536	SSDDW 	C25H32N6O12	608.2078	NA	PeJP	NA	NA
+MJ085375	Nikkomycin RZ 	C25H32N6O12	608.20782	NA	MeJP	NA	NA
+PJ008537	PTCCW 	C26H36N6O7S2	608.2087	NA	PeJP	NA	NA
+FL2FABGM0002	Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside	C29H36O14	608.2105	348149-66-6	knapsack	NA	NA
+FL2FABGM0003	Miconioside A;Matteucinol 7-O-alpha-L-arabinopyranosyl(1->6)-beta-D-glucopyranoside;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside	C29H36O14	608.2105	495396-19-5	knapsack	NA	NA
+MJ085376	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H36O14	608.210505	NA	MeJP	NA	NA
+MJ085377	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C29H36O14	608.210505	NA	MeJP	NA	NA
+MJ085378	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O14	608.210505	NA	MeJP	NA	NA
+MJ085379	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O14	608.210505	NA	MeJP	NA	NA
+MJ085380	4',5,7-Trihydroxyflavanone, 5,7-Di-Me ether, 4'-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C29H36O14	608.210505	NA	MeJP	NA	NA
+MJ085381	Shanzhiside; 6-(4-Methoxycinnamoyl)(E), 8-Ac, Me ester 	C29H36O14	608.210505	NA	MeJP	NA	NA
+MJ085382	Shanzhiside; 6-(4-Methoxycinnamoyl)(Z-), 8-Ac, Me ester 	C29H36O14	608.210505	NA	MeJP	NA	NA
+PJ008538	SNEEM 	C22H36N6O12S	608.2112	NA	PeJP	NA	NA
+PJ008539	PCQMM 	C23H40N6O7S3	608.2121	NA	PeJP	NA	NA
+PJ008540	CCNNR 	C20H36N10O8S2	608.2159	NA	PeJP	NA	NA
+MJ085383	N-Deacyltunicamycin 	C23H36N4O15	608.217716	NA	MeJP	NA	NA
+PJ008541	SCDER 	C21H36N8O11S	608.2224	NA	PeJP	NA	NA
+PJ008542	TCDDR 	C21H36N8O11S	608.2225	NA	PeJP	NA	NA
+PJ008543	PCCMR 	C22H40N8O6S3	608.2233	NA	PeJP	NA	NA
+MJ085384	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 2-Ketone, 8,9-dibenzoyl, 1,6-di-Ac 	C33H36O11	608.225761	NA	MeJP	NA	NA
+PJ008544	GSEMW 	C26H36N6O9S	608.2265	NA	PeJP	NA	NA
+PJ008545	GSSTEE 	C22H36N6O14	608.229	NA	PeJP	NA	NA
+PJ008546	AQEMM 	C23H40N6O9S2	608.2298	NA	PeJP	NA	NA
+PJ008547	GAAEMM 	C23H40N6O9S2	608.2299	NA	PeJP	NA	NA
+PJ008548	SNDHH 	C23H32N10O10	608.2303	NA	PeJP	NA	NA
+MJ085385	Renieramycin A; 1-Oxo, Et ether 	C32H36N2O10	608.236995	NA	MeJP	NA	NA
+PJ008549	SSSSNQ 	C21H36N8O13	608.2402	NA	PeJP	NA	NA
+PJ008550	GDMMR 	C22H40N8O8S2	608.2411	NA	PeJP	NA	NA
+PJ008551	SMWW 	C30H36N6O6S	608.2417	NA	PeJP	NA	NA
+PJ008552	SSTEW 	C26H36N6O11	608.2442	NA	PeJP	NA	NA
+PJ008553	AAMMW 	C27H40N6O6S2	608.2451	NA	PeJP	NA	NA
+MJ085386	12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 2,5,7,9,10-Penta-Ac 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085387	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 2,3,5,7,15-Penta-Ac 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085388	5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085389	5-Hydroxy-1,7-bis(4-hydroxyphenyl)-3-heptanone, 5-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085390	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; Penta-Ac 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085391	8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 3-butanoyl, 2,9,14-tri-Ac 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085392	9,10-Dihydro-4-(hydroxymethyl)-1,8-dimethyl-2,7-phenanthrenediol; 2-Me ether, 1',7-di-O-?-D-glucopyranoside 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085393	Bruceanol G 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085394	Patrinoside; 7-[3-(4-Hydroxyphenyl)-2-propenoyl](E) 	C30H40O13	608.246891	NA	MeJP	NA	NA
+MJ085395	Agelasine G 	C31H42BrN6O2(+)	608.247437	NA	MeJP	NA	NA
+PJ008554	SDKEM 	C23H40N6O11S	608.2476	NA	PeJP	NA	NA
+PJ008555	TYYY 	C31H36N4O9	608.2482	NA	PeJP	NA	NA
+PJ008556	PCKMM 	C24H44N6O6S3	608.2485	NA	PeJP	NA	NA
+PJ008557	GQMHH 	C24H36N10O7S	608.2489	NA	PeJP	NA	NA
+PJ008558	GGAMHH 	C24H36N10O7S	608.249	NA	PeJP	NA	NA
+MJ085396	Punjabine; Me ether, 1'''-alcohol 	C36H36N2O7	608.252251	NA	MeJP	NA	NA
+MJ085397	Somniferine 	C36H36N2O7	608.252251	NA	MeJP	NA	NA
+MJ085398	Thalmiculimine; O12-De-Me 	C36H36N2O7	608.252251	NA	MeJP	NA	NA
+MJ085399	Allosamidin; N-De-Me 	C24H40N4O14	608.254102	NA	MeJP	NA	NA
+PJ008559	ANNQY 	C25H36N8O10	608.2554	NA	PeJP	NA	NA
+PJ008560	GNQQY 	C25H36N8O10	608.2555	NA	PeJP	NA	NA
+PJ008561	SSEMR 	C22H40N8O10S	608.2588	NA	PeJP	NA	NA
+PJ008562	GSPYW 	C30H36N6O8	608.2595	NA	PeJP	NA	NA
+PJ008563	GCHHR 	C23H36N12O6S	608.2602	NA	PeJP	NA	NA
+MJ085400	17-Hydroxyingenol; 13?-Acetoxy, 17-benzoyl, 3-angeloyl 	C34H40O10	608.262147	NA	MeJP	NA	NA
+MJ085401	Antibiotic NK 00634-5 	C34H40O10	608.262147	NA	MeJP	NA	NA
+PJ008564	ATTMW 	C27H40N6O8S	608.2628	NA	PeJP	NA	NA
+PJ008565	SSVMW 	C27H40N6O8S	608.2629	NA	PeJP	NA	NA
+HMDB00683	Harderoporphyrin	C35H36N4O6	608.263489	NA	HMDB2010	NA	NA
+HMDB00683	Harderoporphyrin	C35H36N4O6	608.26349	http://www.hmdb.ca/metabolites/HMDB00683	HMDB	NA	NA
+HMDB00683	Harderoporphyrin	C35H36N4O6	608.26349	HMDB00683	PFEM_hmdb_metabocards_official	NA	NA
+PJ008566	ASTTTE 	C23H40N6O13	608.2653	NA	PeJP	NA	NA
+PJ008567	SSSSLE 	C23H40N6O13	608.2654	NA	PeJP	NA	NA
+PJ008568	AKEMM 	C24H44N6O8S2	608.2662	NA	PeJP	NA	NA
+PJ008569	STQHH 	C24H36N10O9	608.2667	NA	PeJP	NA	NA
+MJ085402	Ergost-24(28)-ene-2,3,21,26-tetrol, 3,21-Disulfate 	C28H48O10S2	608.268889	NA	MeJP	NA	NA
+MJ085403	Ergost-24(28)-ene-3,4,11,21-tetrol, 3,21-Disulfate 	C28H48O10S2	608.268889	NA	MeJP	NA	NA
+MJ085404	Methoserpidine 	C33H40N2O9	608.27338	NA	MeJP	NA	NA
+MJ085405	Reserpine 	C33H40N2O9	608.27338	NA	MeJP	NA	NA
+MJ085406	Subhirsine 	C33H40N2O9	608.27338	NA	MeJP	NA	NA
+C06539	Reserpine	C33H40N2O9	608.2734	NA	KEGG	NA	NA
+PJ008570	APCRY 	C26H40N8O7S	608.2741	NA	PeJP	NA	NA
+PJ008571	AFWW 	C34H36N6O5	608.2747	NA	PeJP	NA	NA
+PJ008572	SSSSNK 	C22H40N8O12	608.2766	NA	PeJP	NA	NA
+PJ008573	ATMMR 	C23H44N8O7S2	608.2775	NA	PeJP	NA	NA
+PJ008574	TTTTW 	C27H40N6O10	608.2806	NA	PeJP	NA	NA
+MJ085407	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(3-Methylbutanoyl), 3-angeloyl, 8-butanoyl, 10-Ac 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085408	3,5,11,14-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-L-Talomethyloside, 11-Ac 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085409	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[6-O-Acetyl-?-D-allopyranoside] 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085410	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-cis-(4-hydroxycinnamoyl)-?-D-glucopyranoside] 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085411	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-trans-(4-hydroxycinnamoyl)-?-D-glucopyranoside] 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085412	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085413	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085414	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl-(?6)-]?-D-glucopyronoside] 	C31H44O12	608.283276	NA	MeJP	NA	NA
+MJ085415	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2-Acetoxy-2-methylbutanoyl), 6,19-di-Ac 	C31H44O12	608.283276	NA	MeJP	NA	NA
+PJ008575	TTKEM 	C24H44N6O10S	608.284	NA	PeJP	NA	NA
+PJ008576	PPCHR 	C25H40N10O6S	608.2853	NA	PeJP	NA	NA
+C09357	Berbamine	C37H40N2O6	608.2886	NA	KEGG	NA	NA
+C09458	Gyrocarpine	C37H40N2O6	608.2886	NA	KEGG	NA	NA
+C09598	Oxyacanthine	C37H40N2O6	608.2886	NA	KEGG	NA	NA
+C09615	Pycnamine	C37H40N2O6	608.2886	NA	KEGG	NA	NA
+C09659	Thalmine	C37H40N2O6	608.2886	NA	KEGG	NA	NA
+MJ085416	12-O-Methylcurine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085417	6',7,12'-Trimethoxy-2,2'-dimethyloxyacanth-6-ol 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085418	Antioquine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085419	Berbamine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085420	Chondocurine, O12-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085421	Cissampentin 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085422	Curine, O7-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085423	Cycleanine, N2'-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085424	Cycleanine, O7-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085425	Cycleanorine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085426	Dryadodaphnine; 6-Me ether 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085427	Dryadodaphnine; O12-Me ether 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085428	Fangchinoline 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085429	Gyroamericine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085430	Homoaromoline 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085431	Isotetrandrine; 2'-N-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085432	Isotetrandrine; 2-N-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085433	Isotetrandrine; O6-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085434	Isothalicberine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085435	Khyberine; 7'-Me ether 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085436	Lauberine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085437	Limacusine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085438	Nemuarine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085439	O-Methylrepandine; O6'-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085440	Obaberine; 2'-N-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085441	Oxyacanthine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085442	Pakistanamine; O1-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085443	Pakistanamine; O7'-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085444	Pakistanine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085445	Panurensine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085446	Pycnamine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085447	Repandine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085448	Rodiasine; 2'-N-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085449	Rodiasine; N-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085450	Rodiasine; O6'-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085451	Rupancamine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085452	Sciadenine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085453	Tetrandrine, N2-De-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085454	Thalbadenzine; O6'-Me 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085455	Thalicberine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085456	Thaliphylline 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085457	Thalmine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085458	Thalrugosine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085459	Tiliageine 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085460	Warifteine; 1,2-Dihydro, 7'-Me ether 	C37H40N2O6	608.288637	NA	MeJP	NA	NA
+MJ085461	Aromoline, 2'-N-Me 	C37H41N2O6(+)	608.288637	NA	MeJP	NA	NA
+PJ008577	SSPRY 	C26H40N8O9	608.2918	NA	PeJP	NA	NA
+PJ008578	AAERY 	C26H40N8O9	608.2919	NA	PeJP	NA	NA
+PJ008579	TTTMR 	C23H44N8O9S	608.2952	NA	PeJP	NA	NA
+PJ008580	LQYW 	C31H40N6O7	608.2959	NA	PeJP	NA	NA
+C09068	Candletoxin A	C35H44O9	608.2985	NA	KEGG	NA	NA
+MJ085462	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 2,10,13-tri-Ac 	C35H44O9	608.298533	NA	MeJP	NA	NA
+MJ085463	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 2,9,13-tri-Ac 	C35H44O9	608.298533	NA	MeJP	NA	NA
+MJ085464	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 9,10,13-tri-Ac 	C35H44O9	608.298533	NA	MeJP	NA	NA
+MJ085465	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl, 7,9,10-tri-Ac 	C35H44O9	608.298533	NA	MeJP	NA	NA
+MJ085466	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl, 9,10,13-tri-Ac 	C35H44O9	608.298533	NA	MeJP	NA	NA
+MJ085467	4,9,13,16,20-Pentahydroxy-1,6-tigliadien-3-one, 16-(2-Methylbutanoyl), 13-(phenylacetyl), 20-Ac 	C35H44O9	608.298533	NA	MeJP	NA	NA
+PJ008581	APKMY 	C28H44N6O7S	608.2992	NA	PeJP	NA	NA
+PJ008582	GAALMF 	C28H44N6O7S	608.2993	NA	PeJP	NA	NA
+MJ085468	Methyl 5-[[[3-(4,4-diphenyl-1-piperidinyl)propyl]amino]carbonyl]-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3-pyridinecarboxylate 	C36H40N4O5	608.29987	NA	MeJP	NA	NA
+PJ008583	SSTTTL 	C24H44N6O12	608.3017	NA	PeJP	NA	NA
+PJ008584	SLKMM 	C25H48N6O7S2	608.3026	NA	PeJP	NA	NA
+PJ008585	DRRY 	C25H40N10O8	608.3031	NA	PeJP	NA	NA
+4013	LDC, beta-chain	ISCDKF	608.3049	antifungal	Inhouse_peptide	NA	peptide
+PJ008586	TFRW 	C30H40N8O6	608.3071	NA	PeJP	NA	NA
+MJ085469	Convolvidine 	C34H44N2O8	608.309766	NA	MeJP	NA	NA
+PJ008587	GVMFR 	C27H44N8O6S	608.3105	NA	PeJP	NA	NA
+MJ085470	Microginin 91A; 10-Chloro 	C28H50Cl2N4O6	608.31074	NA	MeJP	NA	NA
+MJ085471	Exochelin MS 	C23H44N8O11	608.312954	NA	MeJP	NA	NA
+PJ008588	CCKKK 	C24H48N8O6S2	608.3139	NA	PeJP	NA	NA
+PJ008589	GLKEY 	C28H44N6O9	608.317	NA	PeJP	NA	NA
+MJ085472	Rocuronium(1+); Bromide 	C32H53BrN2O4	608.31887	NA	MeJP	NA	NA
+MJ085473	1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 3,9-Diangeloyl, 8-(2-methylbutanoyl), 2-Ac 	C32H48O11	608.319662	NA	MeJP	NA	NA
+MJ085474	1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 3,9-Diangeloyl, 8-(2-methylbutanoyl), 5-Ac 	C32H48O11	608.319662	NA	MeJP	NA	NA
+MJ085475	1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C32H48O11	608.319662	NA	MeJP	NA	NA
+MJ085476	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(6-O-Propanoyl-?-D-allopyranoside) 	C32H48O11	608.319662	NA	MeJP	NA	NA
+PJ008590	MFRR 	C26H44N10O5S	608.3217	NA	PeJP	NA	NA
+2707	erythromycin inhibitor	MFKAL	608.3234	NA	Inhouse_peptide	NA	peptide
+MJ085477	Jolantinine 	C38H44N2O5	608.325022	NA	MeJP	NA	NA
+PJ008591	GTLRY 	C27H44N8O8	608.3282	NA	PeJP	NA	NA
+PJ008592	GGGPPPK 	C27H44N8O8	608.3283	NA	PeJP	NA	NA
+PJ008593	LKYW 	C32H44N6O6	608.3322	NA	PeJP	NA	NA
+MJ085478	Microcin SF608 	C32H44N6O6	608.332233	NA	MeJP	NA	NA
+PJ008594	PPPLW 	C32H44N6O6	608.3323	NA	PeJP	NA	NA
+MJ085479	34-Ethylhuratoxin; 26,27,28,29-Tetradehydro 	C36H48O8	608.334918	NA	MeJP	NA	NA
+MJ085480	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-(2,4,6,8-Tetradecatetraenoyl), 13-Ac 	C36H48O8	608.334918	NA	MeJP	NA	NA
+MJ085481	Vulgaroside; 25-Cinnamoyl, 24-Ac 	C36H48O8	608.334918	NA	MeJP	NA	NA
+PJ008595	ALKMF 	C29H48N6O6S	608.3356	NA	PeJP	NA	NA
+PJ008596	SPLHR 	C26H44N10O7	608.3395	NA	PeJP	NA	NA
+PJ008597	SVLKY 	C29H48N6O8	608.3534	NA	PeJP	NA	NA
+MJ085482	3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 8-(2-Methylbutanoyl), 5,7-bis(methylpropanoyl) 	C33H52O10	608.356047	NA	MeJP	NA	NA
+MJ085483	3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, x,y-Bis(2-methylpropanoyl), z-(2-methylbutanoyl) 	C33H52O10	608.356047	NA	MeJP	NA	NA
+MJ085484	Antibiotic MA 2664-I 	C33H52O10	608.356047	NA	MeJP	NA	NA
+MJ085485	Spirost-5-ene-3,17,27-triol, 3-O-?-D-Galactopyranoside 	C33H52O10	608.356047	NA	MeJP	NA	NA
+MJ085486	Strevertenes; Strevertene D 	C33H52O10	608.356047	NA	MeJP	NA	NA
+MJ085487	Strevertenes; Strevertene E 	C33H52O10	608.356047	NA	MeJP	NA	NA
+PJ008598	VLLQH 	C28H48N8O7	608.3646	NA	PeJP	NA	NA
+MJ085488	Antibiotic SB 291071; Homologue (R = -C15H29) 	C32H52N2O9	608.367281	NA	MeJP	NA	NA
+MJ085489	2,3-Dihydroxy-12-lupen-28-oic acid, 3-(3,4-Dihydroxybenzoyl) 	C37H52O7	608.371304	NA	MeJP	NA	NA
+MJ085490	20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 2-(3,4-dihydroxybenzoyl) 	C37H52O7	608.371304	NA	MeJP	NA	NA
+MJ085491	3,16,21,23-Tetrahydroxy-12-oxo-30-oleananal, 21-Benzoyl 	C37H52O7	608.371304	NA	MeJP	NA	NA
+PJ008599	ALLHR 	C27H48N10O6	608.3759	NA	PeJP	NA	NA
+PJ008600	GPPLLL 	C30H52N6O7	608.3898	NA	PeJP	NA	NA
+MJ085492	Furostane-3,22,26-triol, 3-Ketone, 22-Me ether, 26-O-?-D-glucopyranoside 	C34H56O9	608.392433	NA	MeJP	NA	NA
+MJ085493	Pregn-5-ene-3,14,20-triol, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C34H56O9	608.392433	NA	MeJP	NA	NA
+PJ008601	VLLKH 	C29H52N8O6	608.401	NA	PeJP	NA	NA
+MJ085494	Haliclotriol A 	C38H56O6	608.407689	NA	MeJP	NA	NA
+MJ085495	Batzelladine H 	C35H57N6O3(+)	608.441389	NA	MeJP	NA	NA
+MJ085496	4'-O-Geranylsinapyl alcohol; 1-O-(9,12-Octadecadienoyl)(Z,Z) 	C39H60O5	608.444075	NA	MeJP	NA	NA
+HMDB07338	DG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H60O5	608.444092	NA	HMDB2010	NA	NA
+MJ085497	Dimethylmenaquinone 	C43H60O2	608.459331	NA	MeJP	NA	NA
+MJ085498	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Diundecanoyl 	C40H64O4	608.48046	NA	MeJP	NA	NA
+MJ085499	Hexahydro-3-(28-hydroxy-20(29)-lupen-3-yl)-4,7-dimethylcyclopenta[c]pyran-1(3H)-one 	C40H64O4	608.48046	NA	MeJP	NA	NA
+MJ085500	2,4-cis-Venezinone 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085501	Annomontacin; 4-Deoxy 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085502	Calamistrin A 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085503	Calamistrin C 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085504	Glaucabellin 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085505	Jahnonacin 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085506	Longicoricin 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085507	Muricatenol 	C37H68O6	608.501589	NA	MeJP	NA	NA
+MJ085508	Tonkinecin 	C37H68O6	608.501589	NA	MeJP	NA	NA
+HMDB07079	DG(15:0/20:1(11Z)/0:0)	C38H72O5	608.537964	NA	HMDB2010	NA	NA
+HMDB07387	DG(20:1(11Z)/15:0/0:0)	C38H72O5	608.537964	NA	HMDB2010	NA	NA
+MJ085509	12-Oleanen-3-ol, O-Dodecanoyl 	C42H72O2	608.553231	NA	MeJP	NA	NA
+MJ085510	12-Ursen-3-ol, Dodecanoyl 	C42H72O2	608.553231	NA	MeJP	NA	NA
+MJ085511	Achilleol A; Dodecanoyl 	C42H72O2	608.553231	NA	MeJP	NA	NA
+MJ085512	3-O-Sulfo-?-D-galactopyranosyl(1?3)-[(?-L-fucopyranosyl)(1?4)]-2-acetamido-2-deoxy-D-glucopyranose 	C20H35NO18S	609.157484	NA	MeJP	NA	NA
+PJ008602	DDDDM 	C21H31N5O14S	609.1589	NA	PeJP	NA	NA
+FL7AADGL0013	Peonidin 3-(6''-p-coumarylglucoside)	C31H29O13	609.16081	139973-96-9<BR>71802-54-5<BR>114128-01-7	knapsack	NA	NA
+FL7ARXGL0004	Malvidin 3-glucoside-4-vinylphenol	C31H29O13	609.16081	388089-39-2	knapsack	NA	NA
+PJ008603	GSCNDD 	C20H31N7O13S	609.1701	NA	PeJP	NA	NA
+PJ008604	APCCCN 	C21H35N7O8S3	609.1709	NA	PeJP	NA	NA
+PJ008605	GPCCCQ 	C21H35N7O8S3	609.171	NA	PeJP	NA	NA
+FL7AADGL0006	Peonidin 3-rutinoside	C28H33O15	609.18194	27539-32-8	knapsack	NA	NA
+FL7AADGS0003	Peonidin 3-rhamnoside-5-glucoside	C28H33O15	609.18194	53859-11-3	knapsack	NA	NA
+PJ008606	CNNEM 	C21H35N7O10S2	609.1887	NA	PeJP	NA	NA
+PJ008607	SDEEM 	C22H35N5O13S	609.1952	NA	PeJP	NA	NA
+PJ008608	PCEMM 	C23H39N5O8S3	609.1961	NA	PeJP	NA	NA
+PJ008609	CCNDR 	C20H35N9O9S2	609.1999	NA	PeJP	NA	NA
+PJ008610	GGCCDR 	C20H35N9O9S2	609.2	NA	PeJP	NA	NA
+PJ008611	GCNMW 	C25H35N7O7S2	609.204	NA	PeJP	NA	NA
+MJ085513	Geodiamolide L; Bromo analogue 	C28H40BrN3O7	609.204963	NA	MeJP	NA	NA
+MJ085514	Geodiamolide O; Bromo analogue 	C28H40BrN3O7	609.204963	NA	MeJP	NA	NA
+MJ085515	3-Acetyloxy-8-chloro-2,3-dihydro-2-(4-methoxyphenyl)-5-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-1,5-benzothiazepin-4(5H)-one 	C32H36ClN3O5S	609.206419	NA	MeJP	NA	NA
+PJ008612	GSSNDM 	C21H35N7O12S	609.2065	NA	PeJP	NA	NA
+PJ008613	GPCCCK 	C22H39N7O7S3	609.2073	NA	PeJP	NA	NA
+PJ008614	PCDEF 	C26H35N5O10S	609.2105	NA	PeJP	NA	NA
+MJ085516	Kirigamycin A 	C22H35N5O15	609.212965	NA	MeJP	NA	NA
+PJ008615	AEEMM 	C23H39N5O10S2	609.2139	NA	PeJP	NA	NA
+PJ008616	SDDHH 	C23H31N9O11	609.2143	NA	PeJP	NA	NA
+MJ085517	N-[6-[(2,3-Dihydroxypropoxy)-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)-4-pyrimidinyl]]-4-(1,1-dimethylethyl)benzenesulfonamide 	C31H35N3O8S	609.214485	NA	MeJP	NA	NA
+PJ008617	SSCQW 	C25H35N7O9S	609.2217	NA	PeJP	NA	NA
+PJ008618	SSSSNE 	C21H35N7O14	609.2242	NA	PeJP	NA	NA
+PJ008619	SNQMM 	C22H39N7O9S2	609.2251	NA	PeJP	NA	NA
+PJ008620	SPDEY 	C26H35N5O12	609.2282	NA	PeJP	NA	NA
+PJ008621	GEEEF 	C26H35N5O12	609.2283	NA	PeJP	NA	NA
+PJ008622	PPCMY 	C27H39N5O7S2	609.2291	NA	PeJP	NA	NA
+PJ008623	TTEEM 	C23H39N5O12S	609.2316	NA	PeJP	NA	NA
+PJ008624	PTMMM 	C24H43N5O7S3	609.2325	NA	PeJP	NA	NA
+PJ008625	GEMHH 	C24H35N9O8S	609.233	NA	PeJP	NA	NA
+PJ008626	SCNMR 	C21H39N9O8S2	609.2363	NA	PeJP	NA	NA
+PJ008627	GCHFF 	C29H35N7O6S	609.237	NA	PeJP	NA	NA
+HMDB06730	QYNAD	C25H35N7O11	609.23944	http://www.hmdb.ca/metabolites/HMDB06730	HMDB	NA	NA
+HMDB06730	QYNAD	C25H35N7O11	609.23944	HMDB06730	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06730	QYNAD	C25H35N7O11	609.239441	NA	HMDB2010	NA	NA
+PJ008628	GSSSSW 	C25H35N7O11	609.2395	NA	PeJP	NA	NA
+PJ008629	ACCKW 	C26H39N7O6S2	609.2403	NA	PeJP	NA	NA
+PJ008630	GSSTQM 	C22H39N7O11S	609.2428	NA	PeJP	NA	NA
+PJ008631	GGGSTTM 	C22H39N7O11S	609.2429	NA	PeJP	NA	NA
+PJ008632	EEFW 	C30H35N5O9	609.2435	NA	PeJP	NA	NA
+PJ008633	APEMY 	C27H39N5O9S	609.2469	NA	PeJP	NA	NA
+PJ008634	MHHW 	C28H35N9O5S	609.2482	NA	PeJP	NA	NA
+PJ008635	SLEMM 	C24H43N5O9S2	609.2502	NA	PeJP	NA	NA
+PJ008636	STEHH 	C24H35N9O10	609.2507	NA	PeJP	NA	NA
+PJ008637	GSSTCR 	C21H39N9O10S	609.2541	NA	PeJP	NA	NA
+PJ008638	NQYW 	C29H35N7O8	609.2547	NA	PeJP	NA	NA
+PJ008639	SSCKW 	C26H39N7O8S	609.2581	NA	PeJP	NA	NA
+PJ008640	SSSSDK 	C22H39N7O13	609.2606	NA	PeJP	NA	NA
+PJ008641	SNKMM 	C23H43N7O8S2	609.2615	NA	PeJP	NA	NA
+PJ008642	PPCFF 	C31H39N5O6S	609.2621	NA	PeJP	NA	NA
+PJ008643	GLEEY 	C27H39N5O11	609.2646	NA	PeJP	NA	NA
+PJ008644	PCLMF 	C28H43N5O6S2	609.2655	NA	PeJP	NA	NA
+PJ008645	GPNHW 	C28H35N9O7	609.266	NA	PeJP	NA	NA
+PJ008646	VVMMM 	C25H47N5O6S3	609.2689	NA	PeJP	NA	NA
+PJ008647	GCQFR 	C25H39N9O7S	609.2693	NA	PeJP	NA	NA
+PJ008648	GGACFR 	C25H39N9O7S	609.2694	NA	PeJP	NA	NA
+PJ008649	SSSSSR 	C21H39N9O12	609.2718	NA	PeJP	NA	NA
+PJ008650	TCCKR 	C22H43N9O7S2	609.2727	NA	PeJP	NA	NA
+PJ008651	SVNQY 	C26H39N7O10	609.2758	NA	PeJP	NA	NA
+PJ008652	GNKEY 	C26H39N7O10	609.2759	NA	PeJP	NA	NA
+PJ008653	GSSTKM 	C23H43N7O10S	609.2792	NA	PeJP	NA	NA
+PJ008654	LEYW 	C31H39N5O8	609.2799	NA	PeJP	NA	NA
+PJ008655	SPLMY 	C28H43N5O8S	609.2832	NA	PeJP	NA	NA
+PJ008656	ALEMF 	C28H43N5O8S	609.2833	NA	PeJP	NA	NA
+MJ085518	Niguldipine 	C36H39N3O6	609.283885	NA	MeJP	NA	NA
+C11236	Niguldipine	C36H39N3O6	609.2839	NA	KEGG	NA	NA
+PJ008657	GSQRY 	C25H39N9O9	609.2871	NA	PeJP	NA	NA
+PJ008658	NKYW 	C30H39N7O7	609.2911	NA	PeJP	NA	NA
+PJ008659	GQKMF 	C27H43N7O7S	609.2945	NA	PeJP	NA	NA
+C09164	Ergocristine	C35H39N5O5	609.2951	NA	KEGG	NA	NA
+MJ085519	Ergocristine 	C35H39N5O5	609.295119	NA	MeJP	NA	NA
+C07547	Tubocurarine	C37H41N2O6	609.2965	NA	KEGG	NA	NA
+C09580	Macoline	C37H41N2O6	609.2965	NA	KEGG	NA	NA
+PJ008660	SSSTTK 	C23H43N7O12	609.297	NA	PeJP	NA	NA
+PJ008661	TCKKM 	C24H47N7O7S2	609.2979	NA	PeJP	NA	NA
+PJ008662	SPNHR 	C24H39N11O8	609.2983	NA	PeJP	NA	NA
+PJ008663	SVLEY 	C28H43N5O10	609.301	NA	PeJP	NA	NA
+PJ008664	GLHHF 	C29H39N9O6	609.3024	NA	PeJP	NA	NA
+PJ008665	GCKFR 	C26H43N9O6S	609.3057	NA	PeJP	NA	NA
+PJ008666	GDKKY 	C27H43N7O9	609.3122	NA	PeJP	NA	NA
+PJ008667	GAATKY 	C27H43N7O9	609.3123	NA	PeJP	NA	NA
+PJ008668	APLFY 	C32H43N5O7	609.3163	NA	PeJP	NA	NA
+PJ008669	ALLMY 	C29H47N5O7S	609.3196	NA	PeJP	NA	NA
+PJ008670	GSKRY 	C26H43N9O8	609.3235	NA	PeJP	NA	NA
+MJ085520	Chymostatin; Chymostatin A, 1'-Alcohol 	C31H43N7O6	609.327482	NA	MeJP	NA	NA
+MJ085521	Chymostatin; Chymostatin C, 1'-Alcohol 	C31H43N7O6	609.327482	NA	MeJP	NA	NA
+MJ085522	Segetalin A 	C31H43N7O6	609.327482	NA	MeJP	NA	NA
+PJ008671	PPLHF 	C31H43N7O6	609.3275	NA	PeJP	NA	NA
+MJ085523	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,10-di-Ac 	C35H47NO8	609.330167	NA	MeJP	NA	NA
+MJ085524	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,9-di-Ac 	C35H47NO8	609.330167	NA	MeJP	NA	NA
+MJ085525	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 9,10-di-Ac 	C35H47NO8	609.330167	NA	MeJP	NA	NA
+MJ085526	Rhizoxin; 2,3-Deepoxy, 2,3-didehydro 	C35H47NO8	609.330167	NA	MeJP	NA	NA
+PJ008672	GKKMF 	C28H47N7O6S	609.3309	NA	PeJP	NA	NA
+PJ008673	GLQHR 	C25H43N11O7	609.3347	NA	PeJP	NA	NA
+MJ085527	Destruxin D; Destruxin D2 	C29H47N5O9	609.337378	NA	MeJP	NA	NA
+PJ008674	TTLLY 	C29H47N5O9	609.3374	NA	PeJP	NA	NA
+PJ008675	AAHRR 	C24H43N13O6	609.346	NA	PeJP	NA	NA
+PJ008676	ATKKY 	C28H47N7O8	609.3486	NA	PeJP	NA	NA
+MJ085528	Apicidin; Pyrrolidine analogue 	C33H47N5O6	609.352634	NA	MeJP	NA	NA
+MJ085529	Apicidin; Valine analogue 	C33H47N5O6	609.352634	NA	MeJP	NA	NA
+PJ008677	ALLFF 	C33H47N5O6	609.3527	NA	PeJP	NA	NA
+PJ008678	PPLQR 	C27H47N9O7	609.3599	NA	PeJP	NA	NA
+MJ085530	Boophiline 	C33H55NO7S	609.369923	NA	MeJP	NA	NA
+PJ008679	GLKHR 	C26H47N11O6	609.3711	NA	PeJP	NA	NA
+MJ085531	Destruxin C; Destruxin C 	C30H51N5O8	609.373763	NA	MeJP	NA	NA
+PJ008680	GPPVLK 	C29H51N7O7	609.385	NA	PeJP	NA	NA
+MJ085532	Juvenimicin B1; 3-Ac 	C33H55NO9	609.387682	NA	MeJP	NA	NA
+PJ008681	PPLKR 	C28H51N9O6	609.3963	NA	PeJP	NA	NA
+EUR922	Lyso PE 24:1 [M+FA-H]-	C29H58NO7P	609.399972	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR922	Lyso PE 24:1 [M+FA-H]-	C29H58NO7P	609.399972	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR922	Lyso PE 24:1 [M+FA-H]-	C29H58NO7P	609.399972	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR922	Lyso PE 24:1 [M+FA-H]-	C29H58NO7P	609.399972	masses lipides attendues	Inhousejuil11	NA	NA
+EUR753	Lyso PC 20:1 [M-H+acetate]-	C28H56NO7P	609.400542	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR753	Lyso PC 20:1 [M-H+acetate]-	C28H56NO7P	609.400542	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR753	Lyso PC 20:1 [M-H+acetate]-	C28H56NO7P	609.400542	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR753	Lyso PC 20:1 [M-H+acetate]-	C28H56NO7P	609.400542	masses lipides attendues	Inhousejuil11	NA	NA
+MJ085533	Myxovirescin A; Myxovirescin A1, 13-De-Et, 13-Me 	C34H59NO8	609.424067	NA	MeJP	NA	NA
+MJ085534	Myxovirescin A; Myxovirescin A1, 33-O-De-Me 	C34H59NO8	609.424067	NA	MeJP	NA	NA
+MJ085535	Myxovirescin A; Myxovirescin A1, 4-Epimer, 33-O-de-Me 	C34H59NO8	609.424067	NA	MeJP	NA	NA
+MJ085536	Myxovirescin A; Myxovirescin A1, 4-Epimer, 9-deoxo 	C35H63NO7	609.460453	NA	MeJP	NA	NA
+MJ085537	Myxovirescin A; Myxovirescin A1, 9-Deoxo 	C35H63NO7	609.460453	NA	MeJP	NA	NA
+MJ085538	Rubrolide G 	C17H10Br4O5	609.726174	NA	MeJP	NA	NA
+7037	synthetic peptide from alpha-gliadin	ALQTLPAMCNVY	609.80665	MH2+	Inhouse_peptide	NA	peptide
+3701	NA	ENRKQDKRF	609.8139	MH2+	Inhouse_peptide	NA	peptide
+MJ085539	Saprisartan 	C25H22BrF3N4O4S	610.049723	NA	MeJP	NA	NA
+MJ085540	Diphenazithionin 	C30H18N4O9S	610.079448	NA	MeJP	NA	NA
+MJ085541	3,3',4',5,5',7-Hexahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) 	C29H22O15	610.09587	NA	MeJP	NA	NA
+MJ085542	3,3',4',5,5',7-Hexahydroxyflavan, 3,4'-Bis(3,4,5-trihydroxybenzoyl) 	C29H22O15	610.09587	NA	MeJP	NA	NA
+MJ085543	3,3',4',5,5',7-Hexahydroxyflavan, 3,5-Bis(3,4,5-trihydroxybenzoyl) 	C29H22O15	610.09587	NA	MeJP	NA	NA
+MJ085544	3,3',4',5,5',7-Hexahydroxyflavan, 5,7-Bis(3,4,5-trihydroxybenzoyl) 	C29H22O15	610.09587	NA	MeJP	NA	NA
+MJ085545	3,3',4',5,5',7-Hexahydroxyflavan, 3',7-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O15	610.09587	NA	MeJP	NA	NA
+MJ085546	3,3',4',5,5',7-Hexahydroxyflavan, 4',7-Bis-O-(3,4,5-trihydroxybenzoyl) 	C29H22O15	610.09587	NA	MeJP	NA	NA
+FL63AGNS0009	Epigallocatechin 3,5,-di-O-gallate	C29H22O15	610.09587	37484-73-4	knapsack	NA	NA
+FL63AGNS0010	Epigallocatechin 3,3',-di-O-gallate	C29H22O15	610.09587	89013-66-1	knapsack	NA	NA
+FL63AGNS0011	Epigallocatechin 3,4',-di-O-gallate	C29H22O15	610.09587	89013-67-2	knapsack	NA	NA
+FL63AGNS0012	Epigallocatechin 5,7,-di-O-gallate	C29H22O15	610.09587	96658-19-4	knapsack	NA	NA
+FL63AGNS0013	Gallocatechin 7,3'-di-O-gallate	C29H22O15	610.09587	142784-35-8	knapsack	NA	NA
+FL63AGNS0014	Gallocatechin 7,4'-di-O-gallate	C29H22O15	610.09587	142784-36-9	knapsack	NA	NA
+MJ085547	Dolabellin 	C24H32Cl2N2O8S2	610.097712	NA	MeJP	NA	NA
+MJ085548	Ellagic acid; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H26O17	610.116999	NA	MeJP	NA	NA
+FL3FACCS0036	Isoorientin 2''-O-(E)-caffeate;2''-trans-Caffeoylisoorientin	C30H26O14	610.13225	57186-26-2	knapsack	NA	NA
+FL3FACCS0043	Orientin 7-O-caffeate	C30H26O14	610.13225	156298-99-6	knapsack	NA	NA
+FL3FACCS0058	Isoorientin 6''-O-caffeate	C30H26O14	610.13225	172377-88-7	knapsack	NA	NA
+FL3FACCS0061	Orientin 2''-O-caffeate	C30H26O14	610.13225	220726-08-9	knapsack	NA	NA
+FL5FAAGS0106	Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C30H26O14	610.13225	190328-43-9	knapsack	NA	NA
+FL5FACGL0057	Quercetin 3-(2''-p-coumarylglucoside)	C30H26O14	610.13225	115909-21-2	knapsack	NA	NA
+FL5FACGL0058	Quercetin 3-(3''-p-coumarylglucoside)	C30H26O14	610.13225	70286-61-2<BR>67214-04-4	knapsack	NA	NA
+FL5FACGL0059	Helichrysoside	C30H26O14	610.13225	56343-26-1	knapsack	NA	NA
+MJ085549	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085550	Astragalin; 6''-O-(3,4-Dihydroxy-E-cinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085551	Ergochromes; Ergochrome CC 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085552	Floccosin 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085553	Isoorientin; 2''-O-(3,4-Dihydroxycinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085554	Isoorientin; 6''-O-(3,4-Dihydroxy-E-cinnnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085555	Isoquercitrin; 2''-O-(4-Hydroxycinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085556	Isoquercitrin; 3''-O-(4-Hydroxycinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085557	Isoquercitrin; 6''-O-(4-Hydroxycinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085558	Isoquercitrin; O''-(4-Hydroxycinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085559	Orientin; 2''-O-(3,4-Dihydroxycinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085560	Theasinensin C 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085561	Trifolin; 6''-O-(3,4-Dihydroxy-E-cinnamoyl) 	C30H26O14	610.132255	NA	MeJP	NA	NA
+MJ085562	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-galactopyranoside] 	C30H27O14(+)	610.132255	NA	MeJP	NA	NA
+MJ085563	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?3)-?-D-glucopyranoside] 	C30H27O14(+)	610.132255	NA	MeJP	NA	NA
+MJ085564	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C30H27O14(+)	610.132255	NA	MeJP	NA	NA
+MJ085565	3,3',4',5,5',7-Hexahydroxyflavylium(1+); Glycoside 	C30H27O14(+)	610.132255	NA	MeJP	NA	NA
+MJ085566	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C30H27O14(+)	610.132255	NA	MeJP	NA	NA
+C10227	Gallocatechin-(4alpha->8)-epigallocatechin	C30H26O14	610.1323	NA	KEGG	NA	NA
+HMDB03249	Rutin	C27H30O16	610.15338	http://www.hmdb.ca/metabolites/HMDB03249	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03249	Rutin	C27H30O16	610.15338	http://www.hmdb.ca/metabolites/HMDB03249	HMDB	NA	NA
+FL1AACGS0005	Aureusidin 4,6-diglucoside	C27H30O16	610.15338	89648-26-0	knapsack	NA	NA
+FL3FAADS0042	6-C-Glucosylkaempferol 3-O-glucoside	C27H30O16	610.15338	562068-71-7	knapsack	NA	NA
+FL3FACCS0025	Flavocannabiside	C27H30O16	610.15338	64661-76-3	knapsack	NA	NA
+FL3FACCS0029	Isoorientin 2''-O-glucopyranoside;Meloside L	C27H30O16	610.15338	55196-48-0	knapsack	NA	NA
+FL3FACCS0030	Isoorientin 6''-O-glucoside	C27H30O16	610.15338	98568-80-0	knapsack	NA	NA
+FL3FACCS0031	Isoorientin 2''-O-alpha-D-mannoside	C27H30O16	610.15338	108195-77-3	knapsack	NA	NA
+FL3FACCS0032	Lucenin 2	C27H30O16	610.15338	29428-58-8	knapsack	NA	NA
+FL3FACCS0047	2''-O-beta-L-galactopyranosylorientin	C27H30O16	610.15338	861691-37-4	knapsack	NA	NA
+FL3FACCS0055	8-C-Glucosylquercetin 2''-O-rhamnoside	C27H30O16	610.15338	182062-20-0	knapsack	NA	NA
+FL3FACDS0002	Orientin 4'-glucoside	C27H30O16	610.15338	38950-95-7	knapsack	NA	NA
+FL3FACDS0003	Orientin 7-glucoside	C27H30O16	610.15338	61361-16-8	knapsack	NA	NA
+FL3FACDS0005	Isoorientin 4'-O-glucoside	C27H30O16	610.15338	38950-96-8	knapsack	NA	NA
+FL3FACDS0006	Lutonarin	C27H30O16	610.15338	35450-86-3	knapsack	NA	NA
+FL3FACDS0007	Isoorientin 3'-O-glucoside	C27H30O16	610.15338	53098-95-6	knapsack	NA	NA
+FL3FACDS0008	Isoorientin 7-O-galactoside	C27H30O16	610.15338	119976-99-7	knapsack	NA	NA
+FL3FACDS0009	Orientin 3'-O-glucoside	C27H30O16	610.15338	85708-47-0	knapsack	NA	NA
+FL3FACGS0025	Luteolin 7-gentiobioside	C27H30O16	610.15338	70855-41-3	knapsack	NA	NA
+FL3FACGS0026	Luteolin 7-laminaribioside	C27H30O16	610.15338	29276-58-2	knapsack	NA	NA
+FL3FACGS0027	Luteolin 7-allosyl-(1->2)-glucoside	C27H30O16	610.15338	113471-89-9	knapsack	NA	NA
+FL3FACGS0030	Luteolin 7,3'-diglucoside	C27H30O16	610.15338	52187-80-1	knapsack	NA	NA
+FL3FACGS0034	Luteolin 7,4'-diglucoside	C27H30O16	610.15338	70404-47-6	knapsack	NA	NA
+FL3FACGS0035	Luteolin 7-galactoside-4'-glucoside	C27H30O16	610.15338	-	knapsack	NA	NA
+FL3FACGS0040	Luteolin 3',4'-diglucoside	C27H30O16	610.15338	-	knapsack	NA	NA
+FL3FACGS0064	Luteolin 7-galactosyl-(1->6)-galactoside;2-(3,4-Dihydroxyphenyl)-7-[(6-O-beta-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	142561-45-3	knapsack	NA	NA
+FL3FACGS0077	Luteolin 7-sophoroside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);2-(3,4-Dihydroxyphenyl)-7-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	52146-61-9	knapsack	NA	NA
+FL3FECGS0015	6-Hydroxyluteolin 6-glucoside-3'-rhamnoside	C27H30O16	610.15338	132391-78-7	knapsack	NA	NA
+FL3FECGS0016	6-Hydroxyluteolin 7-rutinoside	C27H30O16	610.15338	93252-38-1	knapsack	NA	NA
+FL3FFAGS0004	Isoscutellarein 7-allosyl-(1->2)-glucoside	C27H30O16	610.15338	96627-12-2	knapsack	NA	NA
+FL3FFAGS0011	8-Hydroxyapigenin 7-sophoroside	C27H30O16	610.15338	-	knapsack	NA	NA
+FL3FFAGS0014	8-Hydroxyapigenin 8-sophoroside;8-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	68116-43-8	knapsack	NA	NA
+FL5F1CGL0002	Fisetin 3,7-diglucoside	C27H30O16	610.15338	83086-31-1	knapsack	NA	NA
+FL5F1GGS0002	Robinetin 3-rutinoside;5-Deoxymyricetin 3-rutinoside;3,7,3',4',5'-Pentahydroxyflavone 3-rutinoside	C27H30O16	610.15338	-	knapsack	NA	NA
+FL5F1LGL0001	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside	C27H30O16	610.15338	83841-48-9	knapsack	NA	NA
+FL5FAAGA0005	Panasenoside	C27H30O16	610.15338	31512-06-8	knapsack	NA	NA
+FL5FAAGA0006	Kaempferol 3-glucosyl-(1->6)-galactoside	C27H30O16	610.15338	73803-52-8	knapsack	NA	NA
+FL5FAAGA0009	Kaempferol 3,5-digalactoside	C27H30O16	610.15338	91377-10-5	knapsack	NA	NA
+FL5FAAGA0010	Kaempferol 3,7-digalactoside	C27H30O16	610.15338	54557-66-3	knapsack	NA	NA
+FL5FAAGA0012	Kaempferol 3-galactoside-4'-glucoside	C27H30O16	610.15338	127419-65-2	knapsack	NA	NA
+FL5FAAGL0006	Camelliaside C	C27H30O16	610.15338	152390-63-1	knapsack	NA	NA
+FL5FAAGL0007	Kaempferol 3-sophoroside	C27H30O16	610.15338	19895-95-5	knapsack	NA	NA
+FL5FAAGL0008	Kaempferol 3-gentiobioside	C27H30O16	610.15338	22149-35-5	knapsack	NA	NA
+FL5FAAGL0014	Kaempferol 3-glucoside-7-galactoside	C27H30O16	610.15338	99883-42-8	knapsack	NA	NA
+FL5FAAGL0015	Kaempferol 3,7-diglucoside	C27H30O16	610.15338	25615-14-9	knapsack	NA	NA
+FL5FAAGL0019	Kaempferol 3,4'-diglucoside;3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	71939-16-7	knapsack	NA	NA
+FL5FAAGS0073	Kaempferol 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	195621-97-7	knapsack	NA	NA
+FL5FAAGS0074	Kaempferol 3,5-diglucoside;3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	205103-97-5	knapsack	NA	NA
+FL5FAAGS0076	Kaempferol 7,4'-diglucoside;7-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	87338-64-5	knapsack	NA	NA
+FL5FACGA0009	Quercetin 3-rhamnosyl-(1->2)-galactoside	C27H30O16	610.15338	117611-67-3	knapsack	NA	NA
+FL5FACGA0010	Quercetin 3-robinobioside	C27H30O16	610.15338	52525-35-6	knapsack	NA	NA
+FL5FACGA0014	Quercetin 3-galactoside-7-rhamnoside	C27H30O16	610.15338	38784-81-5	knapsack	NA	NA
+FL5FACGL0012	Quercetin 3-neohesperidoside	C27H30O16	610.15338	32453-36-4	knapsack	NA	NA
+FL5FACGL0013	Rutin;3,3',4',5,7-Pentahydroxyflavone 3-rutinoside;3-Rutinosylquercetin;Birutan;Quercetin 3-beta-rutinoside;Quercetin 3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside	C27H30O16	610.15338	153-18-4	knapsack	NA	NA
+FL5FACGL0016	Quercetin 3-glucoside-7-rhamnoside	C27H30O16	610.15338	18016-58-5	knapsack	NA	NA
+FL5FACGS0027	Quercetin 3-galactosyl-(1->4)-rhamnoside	C27H30O16	610.15338	98618-77-0	knapsack	NA	NA
+FL5FACGS0028	Quercetin 3-glucosyl-(1->2)-rhamnoside	C27H30O16	610.15338	-	knapsack	NA	NA
+FL5FACGS0029	Quercetin 3-glucosyl-(1->4)-rhamnoside	C27H30O16	610.15338	59262-54-3	knapsack	NA	NA
+FL5FACGS0034	Quercetin 3-rhamnoside-7-glucoside	C27H30O16	610.15338	17306-45-5	knapsack	NA	NA
+FL5FACGS0038	Quercetin 7-rutinoside	C27H30O16	610.15338	147714-62-3	knapsack	NA	NA
+FL5FACGS0068	Quercetin 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	143016-74-4	knapsack	NA	NA
+FL5FACGS0069	Quercetin  3-galactosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-galactopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	189135-70-4	knapsack	NA	NA
+FL5FACGS0072	Quercetin 3-rhamnoside-3'-glucoside;3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	200353-66-8	knapsack	NA	NA
+FL5FADGA0002	Isorhamnetin 3-L-arabinopyranosyl-(1->6)-galactoside;Quercetin 3'-methyl ether 3-alpha-arabinopyranosyl-(1->6)-galactoside;3-[(6-O-alpha-L-arabinopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	75909-23-8	knapsack	NA	NA
+FL5FADGL0002	Isorhamnetin 3-vicianoside	C27H30O16	610.15338	74365-54-1	knapsack	NA	NA
+FL5FADGL0003	Isorhamnetin 3-sambubioside;Quercetin 3'-methyl ether 3-xylosyl-(1->2)-glucoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C27H30O16	610.15338	142059-76-5	knapsack	NA	NA
+FL5FADGL0004	Isorhamnetin 3-xylosyl-(1->6)-glucoside	C27H30O16	610.15338	142905-19-9	knapsack	NA	NA
+FL5FADGL0012	Isorhamnetin 3-glucoside-7-alpha-L-arabinopyranoside	C27H30O16	610.15338	50819-03-9	knapsack	NA	NA
+FL5FADGL0013	Isorhamnetin 3-glucoside-7-xyloside	C27H30O16	610.15338	-	knapsack	NA	NA
+FL5FADGS0020	Isorhamnetin 3-xylosyl-(1->2)-galactoside;Quercetin 3'-methyl ether 3-xylosyl-(1->2)-galactoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one	C27H30O16	610.15338	396679-28-0	knapsack	NA	NA
+FL5FADGS0021	Isorhamnetin 3-apiosyl-(1->2)-glucoside;Quercetin 3'-methyl ether 3-apiosyl-(1->2)-glucoside;3-[(2-O-D-Apio-beta-D-furanosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	512172-32-6	knapsack	NA	NA
+FL5FADGS0022	Isorhamnetin 3-apiosyl-(1->2)-galactoside;Quercetin 3'-methyl ether 3-apiosyl-(1->2)-galactoside;3-[(2-O-D-Apio-beta-D-furanosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	182355-30-2	knapsack	NA	NA
+FL5FAGGS0019	Myricetin 3,4'-di-O-alpha-L-rhamnopyranoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-[4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	200353-68-0	knapsack	NA	NA
+FL5FAGGS0022	Myricetin 3-rhamnosyl-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	244775-36-8	knapsack	NA	NA
+FL5FCCGS0008	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside;Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside;3-[(3-O-alpha-L-arabinopyranosyl-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	475109-05-8	knapsack	NA	NA
+FL5FDCGS0013	Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-glucoside;7-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	184485-41-4	knapsack	NA	NA
+FL5FDGGS0004	Annulatin 7-rhamnoside-3'-xyloside	C27H30O16	610.15338	93373-15-0	knapsack	NA	NA
+FL5FEAGS0002	6-Hydroxykaempferol 7-rutinoside	C27H30O16	610.15338	137196-24-8	knapsack	NA	NA
+FL5FEAGS0021	6-Hydroxykaempferol 3-rutinoside;5,6,7,4'-Tetrahydroxyflavonol 3-O-rutinoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	205527-00-0	knapsack	NA	NA
+FL5FFAGS0011	Herbacetin 7-glucosyl-(1->3)-rhamnoside	C27H30O16	610.15338	86831-54-1	knapsack	NA	NA
+FL5FFAGS0012	Herbacetin 7-rhamnoside-8-glucoside	C27H30O16	610.15338	94696-40-9	knapsack	NA	NA
+FL5FFAGS0014	Herbacetin 8-rutinoside	C27H30O16	610.15338	106009-63-6	knapsack	NA	NA
+FL5FFAGS0026	Herbacetin 3-rhamnoside-8-glucoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O16	610.15338	194609-62-6	knapsack	NA	NA
+FL5FFCGS0024	Gossypetin 8-methyl ether 3-xylosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one	C27H30O16	610.15338	223695-08-7	knapsack	NA	NA
+FLIAACCS0005	Orobol 6,8-di-C-glucoside	C27H30O16	610.15338	118949-94-3	knapsack	NA	NA
+FLIAACGS0004	Orobol 7-O-sophoroside;Compactin(Genista)	C27H30O16	610.15338	101072-83-7	knapsack	NA	NA
+HMDB03249	Rutin	C27H30O16	610.15338	http://www.hmdb.ca/metabolites/HMDB03249	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03249	Rutin	C27H30O16	610.15338	HMDB03249	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03249	Rutin	C27H30O16	610.153381	NA	HMDB2010	NA	NA
+MJ085567	Rutin 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085568	2',3,3',4',7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085569	2',3,4',5,7-Pentahydroxyflavone; Glycoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085570	2-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-3-benzofurancarboxylic acid; [?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085571	3',4',5,5',7-Pentahydroxy-3-methoxyflavone; 7-O-L-Rhamnopyranoside, 3'-O-?-D-xylopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085572	3',4',5,6,7-Pentahydroxyflavone; 3'-O-?-L-Rhamnopyranoside, 6-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085573	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085574	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Arabinofuranosyl-(1?6)-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085575	3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085576	3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085577	3',4',5,7-Tetrahydroxyflavone; 4',7-Di-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085578	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside, 7-O-?-D-galactopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085579	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085580	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085581	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1??)-?-D-galactopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085582	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085583	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-galactopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085584	3',4',5,7-Tetrahydroxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085585	3',4,4',6-Tetrahydroxyaurone; 4,6-Di-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085586	3,3',4',5,5',7-Hexahydroxyflavone; 3,4'-Di-O-?-L-rhamnopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085587	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085588	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085589	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085590	3,3',4',5,7-Pentahydroxyflavone; 3-O-(?-D-Glucofuranosyl-?-L-rhamnofuranoside) 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085591	3,3',4',5,7-Pentahydroxyflavone; 3-O-?-D-Glucofuranoside, 5-O-?-L-rhamnofuranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085592	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactofuranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085593	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085594	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085595	3,3',4',5,7-Pentahydroxyflavone; O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085596	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[Arabinosyl-(1??)-galactoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085597	3,3',4',7-Tetrahydroxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085598	3,4',5,6,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085599	3,4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085600	3,4',5,7,8-Pentahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085601	3,4',5,7,8-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085602	3,4',5,7,8-Pentahydroxyflavone; 7-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085603	3,4',5,7,8-Pentahydroxyflavone; 8-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085604	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Arabinopyranoside, 7-O-?-D-glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085605	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-galactopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085606	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085607	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085608	3,4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085609	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Xylopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085610	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Xylopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085611	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Arabinopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085612	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-Xyloside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085613	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-?-L-Arabinopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085614	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; O''-D-Xylosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085615	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085616	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085617	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085618	4',5,7,8-Tetrahydroxyflavone; 4'-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085619	4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085620	4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085621	6,8-Diglucopyranosyl-3',4',5,7-tetrahydroxyisoflavone 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085622	8-Glucosyl-3,3',4',5,7-pentahydroxyflavone; 2''-O-?-L-Rhamnopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085623	Astragalin; 2''-O-?-D-Galactopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085624	Astragalin; 4''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085625	Astragalin; 4'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085626	Astragalin; 5-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085627	Astragalin; 7-O-?-D-Galactopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085628	Astragalin; 7-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085629	Astragalin; O''-?-D-Galactopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085630	Hyperin; 2''-O-?-L-Rhamnopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085631	Hyperin; 6''-O-?-L-Rhamnopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085632	Hyperin; 7-O-?-L-Rhamnopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085633	Isoorientin; 2''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085634	Isoorientin; 2''-O-?-D-Mannopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085635	Isoorientin; 3'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085636	Isoorientin; 4'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085637	Isoorientin; 6''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085638	Isoorientin; 7-O-?-D-Galactopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085639	Isoorientin; 7-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085640	Isoquercitrin; 4''-O-?-L-Rhamnopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085641	Isoquercitrin; 6''-O-?-L-Rhamnofuranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085642	Isoquercitrin; 6''-O-?-L-Rhamnopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085643	Isoquercitrin; 7-O-?-L-Rhamnofuranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085644	Isoquercitrin; 7-O-?-L-Rhamnofuranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085645	Isoquercitrin; 7-O-?-L-Rhamnopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085646	Isoquercitrin; O''-Rhamnosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085647	Lucenin 2 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085648	Orientin; 2''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085649	Orientin; 3'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085650	Orientin; 4'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085651	Orientin; 7-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085652	Quercimeritrin; 3-O-?-L-Rhamnopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085653	Quercimeritrin; O''-Rhamnosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085654	Quercitrin; 2''-O-?-D-Galactopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085655	Quercitrin; 2''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085656	Quercitrin; 3'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085657	Quercitrin; 4''-O-?-D-Galactopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085658	Quercitrin; 4''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085659	Rheinoside A 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085660	Rutin 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085661	Trifolin; 2''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085662	Trifolin; 4'-O-?-D-Glucopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085663	Trifolin; 5-O-?-D-Galactopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085664	Trifolin; 6''-O-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085665	Trifolin; 7-O-?-D-Galactopyranoside 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085666	Trifolin; O''-?-D-Galactopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085667	Vincetoxicoside B; O''-?-D-Glucopyranosyl 	C27H30O16	610.153384	NA	MeJP	NA	NA
+MJ085668	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085669	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085670	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085671	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085672	3,3',4',5,6,7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085673	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085674	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,3'-Di-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085675	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,4'-Di-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085676	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Di-O-?-D-glucofuranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085677	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085678	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,7-Di-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085679	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucofuranoside, 5-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MJ085680	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-Galactoside, 5-O-?-D-glucopyranoside 	C27H31O16(+)	610.153384	NA	MeJP	NA	NA
+MetaCyc03968	quercetin 3-O-[&beta;-L-rhamnosyl-(1->6)-&beta;-D-glucoside] [hydroxyethylrutoside;quercetin 3-O-rutinoside;rutin;]	C27H30O16	610.153385	153-18-4	metacyc	NA	NA
+MetaCyc03969	quercetin-3-O-glucoside-7-O-rhamnoside []	C27H30O16	610.153385	NA	metacyc	NA	NA
+C05625	Rutin	C27H30O16	610.1534	NA	KEGG	NA	NA
+C10102	Lucenin-2	C27H30O16	610.1534	NA	KEGG	NA	NA
+C12634	Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	C27H30O16	610.1534	NA	KEGG	NA	NA
+C16490	Kaempferol 3-O-beta-D-glucosylgalactoside	C27H30O16	610.1534	NA	KEGG	NA	NA
+C16491	Isovitexin 2''-O-arabinoside	C27H30O16	610.1534	NA	KEGG	NA	NA
+C17563	Multinoside A	C27H30O16	610.1534	NA	KEGG	NA	NA
+PJ008682	GSCDDD 	C20H30N6O14S	610.1541	NA	PeJP	NA	NA
+PJ008683	GPCCCE 	C21H34N6O9S3	610.155	NA	PeJP	NA	NA
+FL1C3CGS0024	Okanin 4-methyl ether 4'-O-(6''-O-p-coumaroylglucoside);3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4'-O-(6''-O-p-coumaroylglucoside)	C31H30O13	610.16864	142628-32-8	knapsack	NA	NA
+FL2FEAGS0003	4'-O-Methylcarthamidin 7-(2-p-coumaroylglucoside);5,6,7-Trihydroxy-4'-methoxyflavanone 7-(2-p-coumaroylglucoside)	C31H30O13	610.16864	292156-63-9	knapsack	NA	NA
+MJ085681	2',3,3',4,4'-Pentahydroxychalcone, 4'-Me ether, 4-O-[4-hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C31H30O13	610.168641	NA	MeJP	NA	NA
+MJ085682	Haedoxan I 	C31H30O13	610.168641	NA	MeJP	NA	NA
+PJ008684	PCCCW 	C25H34N6O6S3	610.1702	NA	PeJP	NA	NA
+PJ008685	CNDEM 	C21H34N6O11S2	610.1727	NA	PeJP	NA	NA
+MJ085683	3,6-Dihydroxyandrost-9(11)-en-17-one, 6-O-[4-O-Sulfo-6-deoxy-?-D-glucopyranoside], 3-sulfate 	C25H38O13S2	610.175382	NA	MeJP	NA	NA
+MJ085684	Santarubin B; 3'-Me ether 	C35H30O10	610.183897	NA	MeJP	NA	NA
+MetaCyc03970	glutathione amide disulfide [GASSGA;]	C20H34N8O10S2	610.183931	NA	metacyc	NA	NA
+PJ008686	CCDDR 	C20H34N8O10S2	610.184	NA	PeJP	NA	NA
+PJ008687	GCDMW 	C25H34N6O8S2	610.188	NA	PeJP	NA	NA
+HMDB03265	Hesperidin	C28H34O15	610.189758	NA	HMDB2010	NA	NA
+HMDB03265	Hesperidin	C28H34O15	610.18976	http://www.hmdb.ca/metabolites/HMDB03265	HMDB	NA	NA
+HMDB03265	Hesperidin	C28H34O15	610.18976	HMDB03265	PFEM_hmdb_metabocards_official	NA	NA
+MJ085685	2',4,4',6'-Tetrahydroxychalcone; 2'-Me ether, 4,4'-di-O-?-D-glucopyranoside 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085686	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?2)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085687	3',4',5,7-Tetrahydroxy-5'-methylflavanone, 3'-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085688	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085689	3',4',5,7-Tetrahydroxyflavanone, 3',7-Di-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085690	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085691	3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085692	3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085693	3,3',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-neohesperidoside 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085694	4'-Hydroxyacetophenone; O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085695	5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085696	Calceolarioside C 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085697	Calceolarioside E 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085698	Conandroside 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MJ085699	Isonuomioside A 	C28H34O15	610.18977	NA	MeJP	NA	NA
+MetaCyc03971	hesperidin []	C28H34O15	610.18977	NA	metacyc	NA	NA
+MetaCyc03972	neohesperidin []	C28H34O15	610.18977	NA	metacyc	NA	NA
+FL1CBAGS0003	4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-beta-glucoside	C28H34O15	610.18977	162440-77-9	knapsack	NA	NA
+FL1CBAGS0004	Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside	C28H34O15	610.18977	203193-16-2	knapsack	NA	NA
+FL2FACGM0002	Mesuein	C28H34O15	610.18977	111128-08-6	knapsack	NA	NA
+FL2FADGS0005	Clematin;Clematine;5,7,3'-Trihydroxy-4'-methoxyflavanone 7-beta-L-rhamnosyl-(1->6)-glucoside	C28H34O15	610.18977	150172-22-8	knapsack	NA	NA
+FL2FAEGS0001	Hesperidin	C28H34O15	610.18977	520-26-3	knapsack	NA	NA
+FL2FAEGS0002	Neohesperidin	C28H34O15	610.18977	13241-33-3	knapsack	NA	NA
+FL2FCDGS0002	(2S)-5,4'-Dihydroxy-7,3'-dimethoxyflavanone 4'-apiosyl-(1->2)-glucoside	C28H34O15	610.18977	247580-66-1	knapsack	NA	NA
+C09755	Hesperidin	C28H34O15	610.1898	NA	KEGG	NA	NA
+C09806	Neohesperidin	C28H34O15	610.1898	NA	KEGG	NA	NA
+PJ008688	GSSDDM 	C21H34N6O13S	610.1905	NA	PeJP	NA	NA
+PJ008689	ASPCCM 	C22H38N6O8S3	610.1913	NA	PeJP	NA	NA
+PJ008690	GPTCCM 	C22H38N6O8S3	610.1914	NA	PeJP	NA	NA
+C10644	Atalanine	C34H30N2O9	610.1951	NA	KEGG	NA	NA
+MJ085700	Atalanine 	C34H30N2O9	610.19513	NA	MeJP	NA	NA
+PJ008691	SSSCNN 	C20H34N8O12S	610.2017	NA	PeJP	NA	NA
+PJ008692	SSCEW 	C25H34N6O10S	610.2057	NA	PeJP	NA	NA
+MetaCyc03973	divinyl protochlorophyllide a [divinylprotochlorophyllide;divinyl protochlrophyllide a;]	C35H30N4O5MG1	610.206662	NA	metacyc	NA	NA
+C11831	Divinylprotochlorophyllide	C35H30MgN4O5	610.2067	NA	KEGG	NA	NA
+PJ008693	SSSSDE 	C21H34N6O15	610.2082	NA	PeJP	NA	NA
+PJ008694	SNEMM 	C22H38N6O10S2	610.2091	NA	PeJP	NA	NA
+PJ008695	CYYY 	C30H34N4O8S	610.2097	NA	PeJP	NA	NA
+PJ008696	CNNNF 	C24H34N8O9S	610.217	NA	PeJP	NA	NA
+MJ085701	4',7-Dihydroxyflavanone(3?3')-2',4,4',6'-tetrahydroxychalcone, Hexa-Me ether 	C36H34O9	610.220282	NA	MeJP	NA	NA
+PJ008697	SCDMR 	C21H38N8O9S2	610.2203	NA	PeJP	NA	NA
+PJ008698	GGGSCCK 	C21H38N8O9S2	610.2204	NA	PeJP	NA	NA
+PJ008699	GNEEY 	C25H34N6O12	610.2235	NA	PeJP	NA	NA
+PJ008700	GSMMW 	C26H38N6O7S2	610.2244	NA	PeJP	NA	NA
+MJ085702	4,5,7-Trihydroxy-6,8-dimethylflavan, 5,7-Di-O-?-D-glucopyranoside 	C29H38O14	610.226155	NA	MeJP	NA	NA
+MJ085703	Bruceanic acid A; 15-Deacyl, 15-(4-acetoxy-3,4-dimethyl-2-pentenoyl) 	C29H38O14	610.226155	NA	MeJP	NA	NA
+PJ008701	GSSTEM 	C22H38N6O12S	610.2269	NA	PeJP	NA	NA
+PJ008702	AQMMM 	C23H42N6O7S3	610.2277	NA	PeJP	NA	NA
+PJ008703	SCQHH 	C23H34N10O8S	610.2282	NA	PeJP	NA	NA
+MJ085704	Cannabisin B, 6-Me ether 	C35H34N2O8	610.231516	NA	MeJP	NA	NA
+MJ085705	Grossamide; 3'-O-De-Me 	C35H34N2O8	610.231516	NA	MeJP	NA	NA
+PJ008704	SNNNY 	C24H34N8O11	610.2347	NA	PeJP	NA	NA
+PJ008705	NEYW 	C29H34N6O9	610.2387	NA	PeJP	NA	NA
+PJ008706	GGEYW 	C29H34N6O9	610.2388	NA	PeJP	NA	NA
+PJ008707	ACMMR 	C22H42N8O6S3	610.239	NA	PeJP	NA	NA
+MJ085706	1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085707	1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 3,6-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085708	1,2,3,4,8,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,8-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085709	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,6-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085710	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 2,9-Dibenzoyl, 6,14-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085711	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 9,14-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085712	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,14-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085713	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 6,14-di-Ac 	C33H38O11	610.241412	NA	MeJP	NA	NA
+MJ085714	Rocaglatic acid; Decarboxy, 3'-(3-O-methyl-?-L-rhamnopyranosyloxy) 	C33H38O11	610.241412	NA	MeJP	NA	NA
+PJ008708	SSTMW 	C26H38N6O9S	610.2421	NA	PeJP	NA	NA
+PJ008709	SSSTTE 	C22H38N6O14	610.2446	NA	PeJP	NA	NA
+PJ008710	SDKMM 	C23H42N6O9S2	610.2455	NA	PeJP	NA	NA
+PJ008711	GSSSHH 	C23H34N10O10	610.246	NA	PeJP	NA	NA
+PJ008712	GPDHW 	C28H34N8O8	610.25	NA	PeJP	NA	NA
+PJ008713	GCEFR 	C25H38N8O8S	610.2534	NA	PeJP	NA	NA
+C07709	Candesartan cilexetil	C33H34N6O6	610.254	NA	KEGG	NA	NA
+PJ008714	GYWW 	C33H34N6O6	610.254	NA	PeJP	NA	NA
+PJ008715	SSMMR 	C22H42N8O8S2	610.2567	NA	PeJP	NA	NA
+PJ008716	QMFW 	C30H38N6O6S	610.2574	NA	PeJP	NA	NA
+PJ008717	GDKEY 	C26H38N6O11	610.2599	NA	PeJP	NA	NA
+PJ008718	GNHHF 	C27H34N10O7	610.2612	NA	PeJP	NA	NA
+MJ085715	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9,10-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085716	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085717	2,20-Epoxy-11-taxene-1,4,5,7,9,10,13-heptol, 4,7,9,10,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085718	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,10,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085719	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,9,10-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085720	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,9,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085721	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,9,10,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085722	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,7,9,10,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+MJ085723	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2,7,9,10,13-Penta-Ac 	C30H42O13	610.262541	NA	MeJP	NA	NA
+PJ008719	SSSSLM 	C23H42N6O11S	610.2632	NA	PeJP	NA	NA
+PJ008720	AKMMM 	C24H46N6O6S3	610.2641	NA	PeJP	NA	NA
+PJ008721	SCKHH 	C24H38N10O7S	610.2646	NA	PeJP	NA	NA
+MJ085724	Jhelumine 	C36H38N2O7	610.267901	NA	MeJP	NA	NA
+PJ008722	CFRW 	C29H38N8O5S	610.2686	NA	PeJP	NA	NA
+PJ008723	GSERY 	C25H38N8O10	610.2711	NA	PeJP	NA	NA
+PJ008724	DKYW 	C30H38N6O8	610.2751	NA	PeJP	NA	NA
+MJ085725	Detigloylswietenine; 3-Tigloyl, 6-Ac 	C34H42O10	610.277797	NA	MeJP	NA	NA
+MJ085726	Handelin 	C34H42O10	610.277797	NA	MeJP	NA	NA
+MJ085727	Humilinolide C 	C34H42O10	610.277797	NA	MeJP	NA	NA
+MJ085728	Ingol; 7-(Phenylacetyl), 3,8,12-tri-Ac 	C34H42O10	610.277797	NA	MeJP	NA	NA
+MJ085729	Swietenolide; 3-Tigloyl, 6-Ac 	C34H42O10	610.277797	NA	MeJP	NA	NA
+7846	NA	YPFW~	610.278	immunomodulating	Inhouse_peptide	NA	peptide
+PJ008725	GLQMY 	C27H42N6O8S	610.2785	NA	PeJP	NA	NA
+MJ085730	Manidipine 	C35H38N4O6	610.279134	NA	MeJP	NA	NA
+PJ008726	STTTTT 	C23H42N6O13	610.281	NA	PeJP	NA	NA
+PJ008727	TTKMM 	C24H46N6O8S2	610.2819	NA	PeJP	NA	NA
+PJ008728	SPDHR 	C24H38N10O9	610.2823	NA	PeJP	NA	NA
+PJ008729	GAAQQH 	C24H38N10O9	610.2824	NA	PeJP	NA	NA
+MJ085731	Segetalin H 	C29H38N8O7	610.286345	NA	MeJP	NA	NA
+PJ008730	SRYW 	C29H38N8O7	610.2864	NA	PeJP	NA	NA
+PJ008731	AAMRY 	C26H42N8O7S	610.2897	NA	PeJP	NA	NA
+PJ008732	GGPLMH 	C26H42N8O7S	610.2898	NA	PeJP	NA	NA
+HMDB05773	Endomorphin-1	C34H38N6O5	610.29034	http://www.hmdb.ca/metabolites/HMDB05773	HMDB	NA	NA
+HMDB05773	Endomorphin-1	C34H38N6O5	610.29034	HMDB05773	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05773	Endomorphin-1	C34H38N6O5	610.290344	NA	HMDB2010	NA	NA
+MJ085732	Blepharocalyxin C 	C38H42O7	610.293053	NA	MeJP	NA	NA
+PJ008733	GNQHR 	C23H38N12O8	610.2936	NA	PeJP	NA	NA
+PJ008734	KMFW 	C31H42N6O5S	610.2938	NA	PeJP	NA	NA
+PJ008735	ATKEY 	C27H42N6O10	610.2963	NA	PeJP	NA	NA
+MJ085733	15,16-Epoxy-8,13(16),14-labdatrien-19-oic acid; [?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C31H46O12	610.298926	NA	MeJP	NA	NA
+MJ085734	4,18:11,16:15,16-Triepoxy-1,2,3,6,19-clerodanepentol, 3-(2-Methylbutanoyl), 2,6,19-tri-Ac 	C31H46O12	610.298926	NA	MeJP	NA	NA
+MJ085735	Acarbathogenin; 3-O-L-Talomethyloside 	C31H46O12	610.298926	NA	MeJP	NA	NA
+MJ085736	Acarbathogenin; 3-O-?-L-Rhamnopyranoside 	C31H46O12	610.298926	NA	MeJP	NA	NA
+MJ085737	Ichangensin 17-?-D-glucopyranoside 	C31H46O12	610.298926	NA	MeJP	NA	NA
+PJ008736	APMHR 	C25H42N10O6S	610.301	NA	PeJP	NA	NA
+MJ085738	Cuspidaline 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085739	Dauricine; N'-De-Me 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085740	Dauricine; N-De-Me 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085741	Daurisoline 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085742	Espinine, 12-Me ether 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085743	Espinine, 6'-Me ether 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085744	Grisabine 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085745	Isodaurisoline 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085746	Neferine; O12'-De-Me 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085747	Neferine; O7-De-Me 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085748	Pisopowetine; N2'-De-Me 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085749	Pisopowiaridine 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085750	Popisonine 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085751	Thalibrine; 2'-N-De-Me 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085752	Tubocurarine(2+) 	C37H42N2O6	610.304287	NA	MeJP	NA	NA
+MJ085753	Pheganomycin 	C26H42N8O9	610.307474	NA	MeJP	NA	NA
+PJ008737	ATTRY 	C26H42N8O9	610.3075	NA	PeJP	NA	NA
+MJ085754	Cyclo(D-?-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) 	C31H42N6O7	610.311497	NA	MeJP	NA	NA
+C11587	BQ 123	C31H42N6O7	610.3115	NA	KEGG	NA	NA
+PJ008738	GPKFY 	C31H42N6O7	610.3115	NA	PeJP	NA	NA
+MJ085755	12-Hydroxyvilasinin; 1-Tigloyl, 3,12-di-Ac 	C35H46O9	610.314183	NA	MeJP	NA	NA
+MJ085756	12-Hydroxyvilasinin; 7-Tigloyl, 1,3-di-Ac 	C35H46O9	610.314183	NA	MeJP	NA	NA
+MJ085757	Dregeana 4; 7,12-Dideacyl, 29-deoxy, 7-tigloyl, 12-Ac 	C35H46O9	610.314183	NA	MeJP	NA	NA
+PJ008739	GLKMY 	C28H46N6O7S	610.3149	NA	PeJP	NA	NA
+8101	peptide derived from bigeye tuna dark muscle (Thunnus obesus)	LNLPTAVYMVT	610.31665	MH2+	Inhouse_peptide	NA	peptide
+PJ008740	GLEHR 	C25H42N10O8	610.3187	NA	PeJP	NA	NA
+PJ008741	GVLHW 	C30H42N8O6	610.3228	NA	PeJP	NA	NA
+MJ085758	Ansatrienin A2 	C34H46N2O8	610.325416	NA	MeJP	NA	NA
+MJ085759	Ansatrienin A3 	C34H46N2O8	610.325416	NA	MeJP	NA	NA
+MJ085760	Ansatrienin B; N-Deacyl, N-tigloyl 	C34H46N2O8	610.325416	NA	MeJP	NA	NA
+PJ008742	PVKMH 	C27H46N8O6S	610.3261	NA	PeJP	NA	NA
+PJ008743	GNKHR 	C24H42N12O7	610.33	NA	PeJP	NA	NA
+PJ008744	STLKY 	C28H46N6O9	610.3326	NA	PeJP	NA	NA
+PJ008745	GPPVLE 	C28H46N6O9	610.3327	NA	PeJP	NA	NA
+PJ008746	LHRW 	C29H42N10O5	610.334	NA	PeJP	NA	NA
+MJ085761	15,16-Epoxy-8,13(16),14-labdatrien-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H50O11	610.335312	NA	MeJP	NA	NA
+MJ085762	8(14),15-Isopimaradiene-3,7-diol, 7-Ketone, 3-O-[?-L-rhamnopyranosyl(1?2)-?-D-glucopyranoside] 	C32H50O11	610.335312	NA	MeJP	NA	NA
+MJ085763	Tedanolide 	C32H50O11	610.335312	NA	MeJP	NA	NA
+PJ008747	PPLER 	C27H46N8O8	610.3439	NA	PeJP	NA	NA
+PJ008748	PPVLW 	C32H46N6O6	610.3479	NA	PeJP	NA	NA
+MJ085764	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 2-Cinnamoyl 	C36H50O8	610.350568	NA	MeJP	NA	NA
+MJ085765	34-Ethylhuratoxin; 26,27-Didehydro 	C36H50O8	610.350568	NA	MeJP	NA	NA
+MJ085766	4'-Hydroxy-4,4'-diaponeurosporen-4-oic acid; O-?-D-Glucopyranoside 	C36H50O8	610.350568	NA	MeJP	NA	NA
+MJ085767	Antibiotic S 541; Antibiotic S 541A, 5-Ketone 	C36H50O8	610.350568	NA	MeJP	NA	NA
+PJ008749	SVLHR 	C26H46N10O7	610.3551	NA	PeJP	NA	NA
+MJ085768	Acobretine A; O8-De-Ac, O8-Et, N-Ac 	C35H50N2O7	610.361801	NA	MeJP	NA	NA
+MJ085769	Trienomycin; Trienomycin E 	C35H50N2O7	610.361801	NA	MeJP	NA	NA
+PJ008750	APPTLL 	C29H50N6O8	610.369	NA	PeJP	NA	NA
+MJ085770	3,14,22,25-Tetrahydroxycholest-7-en-6-one, 25-?-D-Glucopyranoside 	C33H54O10	610.371697	NA	MeJP	NA	NA
+MJ085771	3,14,22,25-Tetrahydroxycholest-7-en-6-one, 3-?-D-Glucopyranoside 	C33H54O10	610.371697	NA	MeJP	NA	NA
+MJ085772	3,14,22,25-Tetrahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside 	C33H54O10	610.371697	NA	MeJP	NA	NA
+MJ085773	Chainin 	C33H54O10	610.371697	NA	MeJP	NA	NA
+MJ085774	Pregn-6-ene-3,17,20-triol, 3-O-?-D-Fucopyranoside, 20-(2,6-dideoxy-?-D-arabino-hexopyranoside) 	C33H54O10	610.371697	NA	MeJP	NA	NA
+MJ085775	Spirostane-1,2,3-triol, 1-O-?-D-Glucopyranoside 	C33H54O10	610.371697	NA	MeJP	NA	NA
+MJ085776	Spirostane-1,3,25-triol, 3-O-?-D-Glucopyranoside 	C33H54O10	610.371697	NA	MeJP	NA	NA
+PJ008751	TLLKH 	C28H50N8O7	610.3803	NA	PeJP	NA	NA
+PJ008752	AKKKH 	C27H50N10O6	610.3915	NA	PeJP	NA	NA
+PJ008753	GPVLLL 	C30H54N6O7	610.4054	NA	PeJP	NA	NA
+MJ085777	3,22,23-Trihydroxyergostan-6-one, 3-O-?-D-Glucopyranoside 	C34H58O9	610.408083	NA	MeJP	NA	NA
+MJ085778	Stigmast-5-en-3-ol, O-[2-(4-Chlorophenoxy)-2-methylpropanoyl] 	C39H59ClO3	610.415273	NA	MeJP	NA	NA
+PJ008754	PLLLR 	C29H54N8O6	610.4167	NA	PeJP	NA	NA
+MJ085779	14-Nor-7-protoilludene-5,6-diol, 5-(2,4-Dihydroxy-6-methylbenzoyl), 6-hexadecanoyl 	C38H58O6	610.423339	NA	MeJP	NA	NA
+MJ085780	Rhodobacterioxanthin 	C42H58O3	610.438595	NA	MeJP	NA	NA
+C15884	2-Ketospirilloxanthin	C42H58O3	610.4386	NA	KEGG	NA	NA
+MJ085781	Anmontanin B 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085782	Anmontanin C 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085783	Annoglaxin 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085784	Annonacin; 19,20-Diepimer, 8-hydroxy, 10-ketone 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085785	Annonacin; 8-Hydroxy, 10-ketone 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085786	Montanacin B 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085787	Parvifloracin 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085788	Parviflorin; 8-Hydroxy 	C35H62O8	610.444468	NA	MeJP	NA	NA
+MJ085789	Trilobalicin 	C35H62O8	610.444468	NA	MeJP	NA	NA
+HMDB07063	DG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C39H62O5	610.459717	NA	HMDB2010	NA	NA
+HMDB07280	DG(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H62O5	610.459717	NA	HMDB2010	NA	NA
+HMDB07309	DG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H62O5	610.459717	NA	HMDB2010	NA	NA
+HMDB07336	DG(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0)	C39H62O5	610.459717	NA	HMDB2010	NA	NA
+HMDB07337	DG(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)	C39H62O5	610.459717	NA	HMDB2010	NA	NA
+HMDB07763	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)	C39H62O5	610.459717	NA	HMDB2010	NA	NA
+MJ085790	Moldenin 	C40H66O4	610.49611	NA	MeJP	NA	NA
+MJ085791	Minalemines; Minalemine B 	C30H62N10O3	610.500635	NA	MeJP	NA	NA
+MJ085792	Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-didodecanoate 2-decanoate 	C37H70O6	610.517239	NA	MeJP	NA	NA
+MJ085793	Glycerol trialkanoates (triacid); Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate 	C37H70O6	610.517239	NA	MeJP	NA	NA
+HMDB07078	DG(15:0/20:0/0:0)	C38H74O5	610.55365	NA	HMDB2010	NA	NA
+HMDB07358	DG(20:0/15:0/0:0)	C38H74O5	610.55365	NA	HMDB2010	NA	NA
+MJ085794	Ergost-5-en-3-ol, Tetradecanoyl 	C42H74O2	610.568881	NA	MeJP	NA	NA
+FL7AACGL0031	Cyanidin 3-(6''-caffeylglucoside)	C30H27O14	611.14008	28983-74-6	knapsack	NA	NA
+FL7AAGGA0010	Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside	C30H27O14	611.14008	339080-03-4	knapsack	NA	NA
+FL7AAGGL0017	Delphinidin 3-(6''-p-coumarylglucoside)	C30H27O14	611.14008	136031-08-8<BR>51939-70-9	knapsack	NA	NA
+C16369	Cyanidin 3-(6-p-caffeoyl)glucoside	C30H27O14	611.1401	NA	KEGG	NA	NA
+C16370	Delphinidin 3-(6-p-coumaroyl)glucoside	C30H27O14	611.1401	NA	KEGG	NA	NA
+PJ008755	CDDEM 	C21H33N5O12S2	611.1567	NA	PeJP	NA	NA
+C08639	Cyanin	C27H31O16	611.1612	NA	KEGG	NA	NA
+C16306	Cyanidin 3-O-sophoroside	C27H31O16	611.1612	NA	KEGG	NA	NA
+C16315	Tulipanin	C27H31O16	611.1612	NA	KEGG	NA	NA
+FL7AACGA0004	Cyanidin 3-galactoside-5-glucoside	C27H31O16	611.1612	28454-88-8	knapsack	NA	NA
+FL7AACGA0014	Cyanidin 3-(2-glucosylgalactoside)	C27H31O16	611.1612	220726-09-0	knapsack	NA	NA
+FL7AACGL0004	Cyanin;Cyanidin 3,5-diglucoside	C27H31O16	611.1612	2611-67-8	knapsack	NA	NA
+FL7AACGL0006	Cyanidin 3-sophoroside	C27H31O16	611.1612	38820-68-7<BR>18376-31-3	knapsack	NA	NA
+FL7AACGL0007	Cyanidin 3-laminaribioside	C27H31O16	611.1612	214424-04-1	knapsack	NA	NA
+FL7AACGL0008	Cyanidin 3-gentiobioside	C27H31O16	611.1612	4453-78-5	knapsack	NA	NA
+FL7AACGL0011	Seranin	C27H31O16	611.1612	64963-53-7	knapsack	NA	NA
+FL7AACGL0013	Cyanidin 3,3'-diglucoside	C27H31O16	611.1612	64963-54-8	knapsack	NA	NA
+FL7AACGL0014	Cyanidin 3,4'-diglucoside	C27H31O16	611.1612	27459-78-5	knapsack	NA	NA
+FL7AAGGA0003	Vincanin B;Delphinidin 3-(6-rhamnosylgalactoside)	C27H31O16	611.1612	68735-95-5	knapsack	NA	NA
+FL7AAGGL0005	Delhpinidin 3-neohesperidoside;Delhpinidin 3-(2rhamnosylglucoside)	C27H31O16	611.1612	120727-37-9	knapsack	NA	NA
+FL7AAGGL0006	Tulipanin;Delphinidin 3-rutinoside;Delphinidin 3-(6-rhamnosylglucosuide)	C27H31O16	611.1612	15674-58-5	knapsack	NA	NA
+FL7AAGGS0005	Delphinidin 3-rhamnoside-5-glucoside	C27H31O16	611.1612	779266-92-1<BR>53925-31-8	knapsack	NA	NA
+FL7AAHGL0016	Petunidin 3-sambubioside;Petunidin 3-O-beta-D-sambubioside;Petunidin 3-(2-xylosylglucoside)	C27H31O16	611.1612	260256-24-4	knapsack	NA	NA
+FL7AECGL0002	6-Hydroxycyanidin 3-rutinoside	C27H31O16	611.1612	99124-25-1	knapsack	NA	NA
+MetaCyc03974	delphinidin 3-rutinoside [delphinidin 3-rhamnoglucoside;]	C27H31O16	611.16121	NA	metacyc	NA	NA
+MetaCyc03975	cyanidin-3,5-diglucoside []	C27H31O16	611.16121	NA	metacyc	NA	NA
+PJ008756	CCCHF 	C24H33N7O6S3	611.1655	NA	PeJP	NA	NA
+PJ008757	GSCCNE 	C20H33N7O11S2	611.168	NA	PeJP	NA	NA
+PJ008758	SCCNW 	C24H33N7O8S2	611.1832	NA	PeJP	NA	NA
+PJ008759	SSSCND 	C20H33N7O13S	611.1857	NA	PeJP	NA	NA
+PJ008760	CNNMM 	C21H37N7O8S3	611.1866	NA	PeJP	NA	NA
+MJ085795	Cyclothialidines; Cyclothialidine B 	C25H33N5O11S	611.189727	NA	MeJP	NA	NA
+MJ085796	Cyclothialidines; Cyclothialidine E 	C25H33N5O11S	611.189727	NA	MeJP	NA	NA
+PJ008761	PCDDY 	C25H33N5O11S	611.1898	NA	PeJP	NA	NA
+PJ008762	SDEMM 	C22H37N5O11S2	611.1931	NA	PeJP	NA	NA
+PJ008763	PCMMM 	C23H41N5O6S4	611.194	NA	PeJP	NA	NA
+PJ008764	CCCQR 	C20H37N9O7S3	611.1978	NA	PeJP	NA	NA
+PJ008765	CNNDF 	C24H33N7O10S	611.201	NA	PeJP	NA	NA
+PJ008766	GSSCQM 	C21H37N7O10S2	611.2044	NA	PeJP	NA	NA
+PJ008767	GDEEY 	C25H33N5O13	611.2075	NA	PeJP	NA	NA
+PJ008768	PCDMF 	C26H37N5O8S2	611.2084	NA	PeJP	NA	NA
+PJ008769	AEMMM 	C23H41N5O8S3	611.2117	NA	PeJP	NA	NA
+PJ008770	CLDMM 	C23H41N5O8S3	611.2118	NA	PeJP	NA	NA
+PJ008771	SCEHH 	C23H33N9O9S	611.2122	NA	PeJP	NA	NA
+PJ008772	GSSCCR 	C20H37N9O9S2	611.2156	NA	PeJP	NA	NA
+PJ008773	SNNDY 	C24H33N7O12	611.2187	NA	PeJP	NA	NA
+PJ008774	GGGGSDY 	C24H33N7O12	611.2188	NA	PeJP	NA	NA
+MJ085797	Lycorine, O1,O2-Di-O-?-D-glucopyranoside 	C28H37NO14	611.221404	NA	MeJP	NA	NA
+PJ008775	SSSSNM 	C21H37N7O12S	611.2221	NA	PeJP	NA	NA
+PJ008776	DEYW 	C29H33N5O10	611.2228	NA	PeJP	NA	NA
+PJ008777	CCQKM 	C22H41N7O7S3	611.223	NA	PeJP	NA	NA
+PJ008778	SPDMY 	C26H37N5O10S	611.2261	NA	PeJP	NA	NA
+PJ008779	TTEMM 	C23H41N5O10S2	611.2295	NA	PeJP	NA	NA
+PJ008780	GMMHH 	C24H37N9O6S2	611.2309	NA	PeJP	NA	NA
+PJ008781	CCCKR 	C21H41N9O6S3	611.2342	NA	PeJP	NA	NA
+MJ085798	1,2,3,4,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-benzoyl, 1,14-di-Ac 	C32H37NO11	611.236661	NA	MeJP	NA	NA
+MJ085799	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-benzoyl, 8,14-di-Ac 	C32H37NO11	611.236661	NA	MeJP	NA	NA
+PJ008782	GNQMY 	C25H37N7O9S	611.2374	NA	PeJP	NA	NA
+PJ008783	GSSSSST 	C21H37N7O14	611.2399	NA	PeJP	NA	NA
+PJ008784	GSSCKM 	C22H41N7O9S2	611.2407	NA	PeJP	NA	NA
+PJ008785	NNNNH 	C22H33N11O10	611.2412	NA	PeJP	NA	NA
+PJ008786	EMFW 	C30H37N5O7S	611.2414	NA	PeJP	NA	NA
+PJ008787	ATEEY 	C26H37N5O12	611.2439	NA	PeJP	NA	NA
+PJ008788	APMMY 	C27H41N5O7S2	611.2448	NA	PeJP	NA	NA
+PJ008789	GDHHF 	C27H33N9O8	611.2452	NA	PeJP	NA	NA
+PJ008790	SLMMM 	C24H45N5O7S3	611.2481	NA	PeJP	NA	NA
+PJ008791	GCNRY 	C24H37N9O8S	611.2486	NA	PeJP	NA	NA
+PJ008792	SSQQY 	C25H37N7O11	611.2551	NA	PeJP	NA	NA
+PJ008793	PPMMH 	C26H41N7O6S2	611.256	NA	PeJP	NA	NA
+PJ008794	SSSTCK 	C22H41N7O11S	611.2585	NA	PeJP	NA	NA
+PJ008795	APDFY 	C30H37N5O9	611.2591	NA	PeJP	NA	NA
+PJ008796	GPEFY 	C30H37N5O9	611.2592	NA	PeJP	NA	NA
+PJ008797	CCKKM 	C23H45N7O6S3	611.2594	NA	PeJP	NA	NA
+PJ008798	GLEMY 	C27H41N5O9S	611.2625	NA	PeJP	NA	NA
+PJ008799	AQQEH 	C24H37N9O10	611.2664	NA	PeJP	NA	NA
+PJ008800	GNQFF 	C29H37N7O8	611.2704	NA	PeJP	NA	NA
+MJ085800	Trideacetylpyripyropene A; 3,19-Dipropanoyl, 7-Ac 	C33H41NO10	611.273046	NA	MeJP	NA	NA
+MJ085801	Trideacetylpyripyropene A; 3,7-Dipropanoyl, 19-Ac 	C33H41NO10	611.273046	NA	MeJP	NA	NA
+MJ085802	Trideacetylpyripyropene A; 7,19-Dipropanoyl, 3-Ac 	C33H41NO10	611.273046	NA	MeJP	NA	NA
+PJ008801	GNKMY 	C26H41N7O8S	611.2737	NA	PeJP	NA	NA
+PJ008802	GGGKMY 	C26H41N7O8S	611.2738	NA	PeJP	NA	NA
+PJ008803	PFYW 	C34H37N5O6	611.2744	NA	PeJP	NA	NA
+PJ008804	GNEHR 	C23H37N11O9	611.2776	NA	PeJP	NA	NA
+PJ008805	LMYW 	C31H41N5O6S	611.2778	NA	PeJP	NA	NA
+PJ008806	STLEY 	C27H41N5O11	611.2803	NA	PeJP	NA	NA
+PJ008807	ALMMF 	C28H45N5O6S2	611.2811	NA	PeJP	NA	NA
+PJ008808	VCLMF 	C28H45N5O6S2	611.2812	NA	PeJP	NA	NA
+PJ008809	AAQHW 	C28H37N9O7	611.2816	NA	PeJP	NA	NA
+PJ008810	PCQKH 	C25H41N9O7S	611.285	NA	PeJP	NA	NA
+PJ008811	SSQKY 	C26H41N7O10	611.2915	NA	PeJP	NA	NA
+PJ008812	NHRW 	C27H37N11O6	611.2929	NA	PeJP	NA	NA
+8145	peptide derived from jumbo squid skin gelatin (Dosidicus gigas)	NGPLQAGQPGER	611.29495	MH2+	Inhouse_peptide	NA	peptide
+PJ008813	GPLYY 	C31H41N5O8	611.2955	NA	PeJP	NA	NA
+PJ008814	SVLMY 	C28H45N5O8S	611.2989	NA	PeJP	NA	NA
+MJ085803	Lercanidipine 	C36H41N3O6	611.299536	NA	MeJP	NA	NA
+PJ008815	PPNER 	C25H41N9O9	611.3027	NA	PeJP	NA	NA
+PJ008816	GGPPER 	C25H41N9O9	611.3028	NA	PeJP	NA	NA
+MJ085804	SP-Chymostatin B; 2-Epimer, 4''-hydroxy 	C30H41N7O7	611.306746	NA	MeJP	NA	NA
+MJ085805	SP-Chymostatin B; 4''-Hydroxy 	C30H41N7O7	611.306746	NA	MeJP	NA	NA
+PJ008817	PPVNW 	C30H41N7O7	611.3068	NA	PeJP	NA	NA
+MJ085806	Rhizoxin; O-De-Me 	C34H45NO9	611.309432	NA	MeJP	NA	NA
+MJ085807	Salannolactam 21 	C34H45NO9	611.309432	NA	MeJP	NA	NA
+PJ008818	ACKKY 	C27H45N7O7S	611.3101	NA	PeJP	NA	NA
+MJ085808	Ergocristine; 9,10-Dihydro 	C35H41N5O5	611.310769	NA	MeJP	NA	NA
+PJ008819	LFFW 	C35H41N5O5	611.3108	NA	PeJP	NA	NA
+PJ008820	GDKHR 	C24H41N11O8	611.314	NA	PeJP	NA	NA
+PJ008821	GPPRW 	C29H41N9O6	611.318	NA	PeJP	NA	NA
+PJ008822	PCKKH 	C26H45N9O6S	611.3214	NA	PeJP	NA	NA
+PJ008823	GSHRR 	C23H41N13O7	611.3252	NA	PeJP	NA	NA
+PJ008824	SSKKY 	C27H45N7O9	611.3279	NA	PeJP	NA	NA
+MJ085809	Melanostatin II 	C28H41N11O5	611.329213	NA	MeJP	NA	NA
+MJ085810	Platenomycin A1; Demycarosyl, 9-ketone 	C31H49NO11	611.330561	NA	MeJP	NA	NA
+PJ008825	GLLFY 	C32H45N5O7	611.3319	NA	PeJP	NA	NA
+MJ085811	C-Curarine 	C40H44N4O2(+)	611.338601	NA	MeJP	NA	NA
+PJ008826	PPDKR 	C26H45N9O8	611.3391	NA	PeJP	NA	NA
+PJ008827	PVLHF 	C31H45N7O6	611.3432	NA	PeJP	NA	NA
+MJ085812	Talatizamine; 14-O-(3,4-Dimethoxycinnamoyl) 	C35H49NO8	611.345817	NA	MeJP	NA	NA
+MJ085813	Taxine B; 13?-Alcohol, 1-deoxy, 13-Ac 	C35H49NO8	611.345817	NA	MeJP	NA	NA
+PJ008828	VLLMH 	C28H49N7O6S	611.3465	NA	PeJP	NA	NA
+PJ008829	SPPRR 	C25H45N11O7	611.3504	NA	PeJP	NA	NA
+MJ085814	Destruxin F; 5''-Hydroxy 	C29H49N5O9	611.353028	NA	MeJP	NA	NA
+MJ085815	Yanucamide B 	C34H49N3O7	611.35705	NA	MeJP	NA	NA
+3419	NA	IRPVQ	611.363	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ008830	GPPTLK 	C28H49N7O8	611.3643	NA	PeJP	NA	NA
+MJ085816	Zizyphine A 	C33H49N5O6	611.368284	NA	MeJP	NA	NA
+C10015	Zizyphine A	C33H49N5O6	611.3683	NA	KEGG	NA	NA
+MJ085817	ACE inhibitor peptide C 112 	C27H49N9O7	611.375494	NA	MeJP	NA	NA
+PJ008831	PVLQR 	C27H49N9O7	611.3755	NA	PeJP	NA	NA
+MJ085818	Enniatin B; N,N'-Di-de-Me 	C31H53N3O9	611.37818	NA	MeJP	NA	NA
+MJ085819	Amphilactam B 	C36H53NO7	611.382203	NA	MeJP	NA	NA
+PJ008832	APLRR 	C26H49N11O6	611.3868	NA	PeJP	NA	NA
+PJ008833	AAPLLK 	C29H53N7O7	611.4007	NA	PeJP	NA	NA
+PJ008834	PVLKR 	C28H53N9O6	611.4119	NA	PeJP	NA	NA
+EUR743	Lyso PC 20:0 [M-H+acetate]-	C28H58NO7P	611.416192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR743	Lyso PC 20:0 [M-H+acetate]-	C28H58NO7P	611.416192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR743	Lyso PC 20:0 [M-H+acetate]-	C28H58NO7P	611.416192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR743	Lyso PC 20:0 [M-H+acetate]-	C28H58NO7P	611.416192	masses lipides attendues	Inhousejuil11	NA	NA
+MJ085820	2-Amino-5-heptadecene-1,3,4-triol, N-(2-Hydroxyeicosanoyl) 	C37H73NO5	611.548874	NA	MeJP	NA	NA
+MJ085821	Emodinbianthrone; 1,3,3'-Trichloro 	C30H19Cl3O8	612.01455	NA	MeJP	NA	NA
+MJ085822	Cefpiramide 	C25H24N8O7S2	612.120936	NA	MeJP	NA	NA
+MJ085823	Meralluride 	C16H22HgN6O7	612.125622	NA	MeJP	NA	NA
+MJ085824	Mesuabixanthone A 	C33H24O12	612.126776	NA	MeJP	NA	NA
+MJ085825	Mesuferrol A; 5-Me ether 	C33H24O12	612.126776	NA	MeJP	NA	NA
+MJ085826	Pentagrametin 	C33H24O12	612.126776	NA	MeJP	NA	NA
+FL5FAGGL0002	Myricetin 3-sambubioside	C26H28O17	612.13264	142449-93-2	knapsack	NA	NA
+MJ085827	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Xylosyl-(1??)-?-D-glucopyranoside] 	C26H28O17	612.132649	NA	MeJP	NA	NA
+MJ085828	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Xylosyl-(1??)-galactopyranoside] 	C26H28O17	612.132649	NA	MeJP	NA	NA
+PJ008835	GCCCNN 	C19H32N8O9S3	612.1455	NA	PeJP	NA	NA
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR299	Gluthation oxyde F1	NA	612.150575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR299	Gluthation oxyde F1	NA	612.150575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR299	Gluthation oxyde F1	NA	612.150575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR299	Gluthation oxyde F1	NA	612.150575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR299	Glutathione oxidized F1	C20H32N6O12S1	612.150575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ085829	Oxidized glutathione 	C20H32N6O12S2	612.151961	NA	MeJP	NA	NA
+MetaCyc03976	glutathione disulfide [glutathione oxidized;glutathione ox;GSSG;glutathione;GSH;ox. glutathione;oxidized glutathione;]	C20H32N6O12S2	612.151962	27025-41-8	metacyc	NA	NA
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	612.151978	NA	HMDB2010	NA	NA
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	612.15198	http://www.hmdb.ca/metabolites/HMDB03337	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	612.15198	http://www.hmdb.ca/metabolites/HMDB03337	HMDB	NA	NA
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	612.15198	NA  ;SYN:a-keto-d-Guanidinovaleric acid; d-Guanidino-a-oxovaleric acid; d-Guanido-a-ketovaleric acid; 2-Oxo-5-guanidinovaleric acid; 5-Guanidino-2-oxovaleric acid; alpha-keto-delta-Guanidinovaleric acid; delta-Guanidino-alpha-oxovaleric acid; delta-Guanido-alpha-ketovaleric acid; 5-(diaminomethylideneamino)-2-oxopentanoic acid; 5-(diaminomethylideneamino)-2-oxopentanoateH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	612.15198	http://www.hmdb.ca/metabolites/HMDB03337	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03337	Oxidized glutathione	C20H32N6O12S2	612.15198	HMDB03337	PFEM_hmdb_metabocards_official	NA	NA
+EUR075	Oxidized glutathione	C20H32N6O12S2	612.152	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR075	Oxidized glutathione	C20H32N6O12S2	612.152	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR075	Oxidized glutathione	C20H32N6O12S2	612.152	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR075	Oxidized glutathione	C20H32N6O12S2	612.152	Wishlist	Inhousejuil11	NA	NA
+C00127	Glutathione disulfide	C20H32N6O12S2	612.152	NA	KEGG	NA	NA
+PJ008836	GSCCDE 	C20H32N6O12S2	612.152	NA	PeJP	NA	NA
+PJ008837	GPCCCM 	C21H36N6O7S4	612.1529	NA	PeJP	NA	NA
+MJ085830	Carbonarin A; 3''-Methoxy 	C34H28O11	612.163161	NA	MeJP	NA	NA
+PJ008838	SCCDW 	C24H32N6O9S2	612.1672	NA	PeJP	NA	NA
+FL1C3CGS0010	Okanin 3',4'-diglucoside	C27H32O16	612.16903	120181-06-8	knapsack	NA	NA
+FL1C3CGS0012	Okanin 4'-gentiobioside	C27H32O16	612.16903	120181-05-7	knapsack	NA	NA
+FL2FACGS0007	Eriodictyol 5,3'-di-O-glucoside	C27H32O16	612.16903	33983-44-7	knapsack	NA	NA
+FL2FEAGS0002	5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside	C27H32O16	612.16903	501434-65-7	knapsack	NA	NA
+FL4D1CGS0003	Fustin 3,7-diglucoside	C27H32O16	612.16903	-	knapsack	NA	NA
+FL4DACGS0023	Huangqioside E	C27H32O16	612.16903	138822-69-2	knapsack	NA	NA
+FL4DACGS0024	Taxifolin 3-glucosyl-(1->4)-rhamnoside	C27H32O16	612.16903	81645-92-3	knapsack	NA	NA
+FL4DACGS0026	Flavoplatycoside	C27H32O16	612.16903	147714-60-1	knapsack	NA	NA
+MJ085831	1,2,3,4,7-Pentahydroxyxanthone; 2,3,4-Tri-Me-ether, 1-O-[?-D-xylopranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085832	1,2,5,6,8-Pentahydroxyxanthone; 2,6-Di-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085833	2',3',5,5',7-Pentahydroxyflavanone, 7-O-Rutinoside 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085834	2',3,3',4,4'-Pentahydroxychalcone, 3',4'-Di-O-?-D-glucopyranoside 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085835	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085836	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[4-O-galloyl-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085837	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[5-O-galloyl-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085838	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-D-apiofuranosyl-(1?6)-4-O-galloyl-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085839	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-L-arabinopyranosyl-(1?6)-4-O-galloyl-?-D-glucopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085840	3',4',5,7-Tetrahydroxyflavanone, 3',5-Di-O-?-D-Glucopyranoside 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085841	3,3',4',5',7-Pentahydroxyflavanone, 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085842	3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085843	3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085844	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 5-Glycoside 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085845	3,4',5,7-Tetrahydroxyflavanone, 3,7-Di-O-?-D-glucopyranoside 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085846	Hydroxysafflor yellow A 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085847	Safflomin A 	C27H32O16	612.169034	NA	MeJP	NA	NA
+MJ085848	Staunoside F 	C27H32O16	612.169034	NA	MeJP	NA	NA
+PJ008839	SSSCDD 	C20H32N6O14S	612.1697	NA	PeJP	NA	NA
+PJ008840	CNDMM 	C21H36N6O9S3	612.1706	NA	PeJP	NA	NA
+PJ008841	CCCER 	C20H36N8O8S3	612.1819	NA	PeJP	NA	NA
+PJ008842	CNDDF 	C24H32N6O11S	612.185	NA	PeJP	NA	NA
+PJ008843	ACCMW 	C25H36N6O6S3	612.1859	NA	PeJP	NA	NA
+MJ085849	N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide 	C27H31F3N4O7S	612.186554	NA	MeJP	NA	NA
+PJ008844	GSSCEM 	C21H36N6O11S2	612.1884	NA	PeJP	NA	NA
+PJ008845	CCNHH 	C22H32N10O7S2	612.1897	NA	PeJP	NA	NA
+PJ008846	SNDDY 	C24H32N6O13	612.2027	NA	PeJP	NA	NA
+PJ008847	GGSDDY 	C24H32N6O13	612.2028	NA	PeJP	NA	NA
+PJ008848	SSCMW 	C25H36N6O8S2	612.2036	NA	PeJP	NA	NA
+MJ085850	2-(4-Hydroxyphenyl)ethanol; 1-O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H36O15	612.20542	NA	MeJP	NA	NA
+MJ085851	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H36O15	612.20542	NA	MeJP	NA	NA
+MJ085852	5,9,10-Trihydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-4(3H)-one, 9-Me ether, 5-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H36O15	612.20542	NA	MeJP	NA	NA
+MJ085853	Lamiide; 7-(3,4-Dimethoxycinnamoyl)(E-) 	C28H36O15	612.20542	NA	MeJP	NA	NA
+MJ085854	Melampyroside; 6'-O-Glucopyranoside 	C28H36O15	612.20542	NA	MeJP	NA	NA
+MetaCyc03977	neohesperidin dihydrochalcone []	C28H36O15	612.20542	NA	metacyc	NA	NA
+PJ008849	SSSSDM 	C21H36N6O13S	612.2061	NA	PeJP	NA	NA
+PJ008850	SNMMM 	C22H40N6O8S3	612.207	NA	PeJP	NA	NA
+PJ008851	GPPCCH 	C24H36N8O7S2	612.2149	NA	PeJP	NA	NA
+PJ008852	TCCMR 	C21H40N8O7S3	612.2182	NA	PeJP	NA	NA
+MJ085855	1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C32H36O12	612.220676	NA	MeJP	NA	NA
+MJ085856	Filixic acids; Filixic acid ABA 	C32H36O12	612.220676	NA	MeJP	NA	NA
+PJ008853	GNEMY 	C25H36N6O10S	612.2214	NA	PeJP	NA	NA
+C02880	Protochlorophyllide	C35H32MgN4O5	612.2223	NA	KEGG	NA	NA
+C02881	PyroGlu-His-Xaa-Gly	C35H32MgN4O5	612.2223	NA	KEGG	NA	NA
+C02882	S-Aryl-L-cysteine	C3H6NO2SR	612.2223	NA	KEGG	NA	NA
+C11830	13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester	C35H32MgN4O5	612.2223	NA	KEGG	NA	NA
+C11832	Divinyl chlorophyllide a	C35H32MgN4O5	612.2223	NA	KEGG	NA	NA
+MetaCyc03978	divinylchlorophyllide a []	C35H32N4O5MG1	612.222312	NA	metacyc	NA	NA
+MetaCyc03979	131-oxo-magnesium-protoporphyrin IX 13-monomethyl ester []	C35H32N4O5MG1	612.222312	NA	metacyc	NA	NA
+MetaCyc03980	monovinyl protochlorophyllide a [protochlorophyllide;monovinyl protochlrophyllide a;]	C35H32N4O5MG1	612.222312	14751-08-7	metacyc	NA	NA
+MJ085857	Chloroserpidine 	C32H37ClN2O8	612.223843	NA	MeJP	NA	NA
+PJ008854	GSSTMM 	C22H40N6O10S2	612.2248	NA	PeJP	NA	NA
+PJ008855	NNNDH 	C22H32N10O11	612.2252	NA	PeJP	NA	NA
+PJ008856	GGGGGGDH 	C22H32N10O11	612.2253	NA	PeJP	NA	NA
+C05080	Novobiocin	C31H36N2O11	612.2319	NA	KEGG	NA	NA
+C05085	Sulphometuron methyl	C31H36N2O11	612.2319	NA	KEGG	NA	NA
+MJ085858	Novobiocin 	C31H36N2O11	612.23191	NA	MeJP	NA	NA
+PJ008857	GCDRY 	C24H36N8O9S	612.2326	NA	PeJP	NA	NA
+MJ085859	6-Chloro-2,8,9,12-tetrahydroxy-3,5(16),13-briaratrien-18,7-olide, 3?,4?:13?,14?-Diepoxide,12-hexanoyl, 2,9-di-Ac 	C30H41ClO11	612.233739	NA	MeJP	NA	NA
+PJ008858	NMYW 	C29H36N6O7S	612.2366	NA	PeJP	NA	NA
+PJ008859	SSQEY 	C25H36N6O12	612.2391	NA	PeJP	NA	NA
+PJ008860	PCCKY 	C26H40N6O7S2	612.24	NA	PeJP	NA	NA
+PJ008861	SSSTTM 	C22H40N6O12S	612.2425	NA	PeJP	NA	NA
+PJ008862	TCKMM 	C23H44N6O7S3	612.2434	NA	PeJP	NA	NA
+PJ008863	APCHW 	C28H36N8O6S	612.2479	NA	PeJP	NA	NA
+PJ008864	AQEEH 	C24H36N8O11	612.2504	NA	PeJP	NA	NA
+PJ008865	GCMFR 	C25H40N8O6S2	612.2513	NA	PeJP	NA	NA
+PJ008866	GSTYW 	C29H36N6O9	612.2544	NA	PeJP	NA	NA
+MJ085860	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 11-Ketone, 1-benzoyl, 2,3,7-tri-Ac 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085861	11(15?1)-Abeo-2,5,7,9,10,15-hexahydroxy-4(20),11-taxadien-13-one, 10-Benzoyl, 2,7,9-tri-Ac 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085862	19-Hydroxyingol; 8-Benzoyl, 3,7,12-tri-Ac 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085863	Karajinone B 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085864	Limbocidin; 11,12-Bis(deoxy) 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085865	Perdeacyldecipinone; 5-Benzoyl, 3,13,15-tri-Ac 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085866	Toonacilin; 6-Acetoxy 	C33H40O11	612.257062	NA	MeJP	NA	NA
+MJ085867	Trichilia lactone D4 	C33H40O11	612.257062	NA	MeJP	NA	NA
+PJ008867	GDKMY 	C26H40N6O9S	612.2578	NA	PeJP	NA	NA
+PJ008868	GDEHR 	C23H36N10O10	612.2616	NA	PeJP	NA	NA
+MJ085868	Cholestane-3,4,11,12,21-pentol, 3,21-Disulfate 	C27H48O11S2	612.263803	NA	MeJP	NA	NA
+PJ008869	AAEHW 	C28H36N8O8	612.2656	NA	PeJP	NA	NA
+PJ008870	GSMRY 	C25H40N8O8S	612.269	NA	PeJP	NA	NA
+PJ008871	NFFW 	C33H36N6O6	612.2697	NA	PeJP	NA	NA
+MJ085869	2,9-Bis[2-(1-piperidinyl)ethyl]anthra[2,1,9-def:6,5,10-d',e',f']diisoquinoline-1,3,8,10(2H,9H)-tetrone 	C38H36N4O4	612.273655	NA	MeJP	NA	NA
+PJ008872	SSKEY 	C26H40N6O11	612.2755	NA	PeJP	NA	NA
+PJ008873	GKMMF 	C27H44N6O6S2	612.2764	NA	PeJP	NA	NA
+PJ008874	DHRW 	C27H36N10O7	612.2769	NA	PeJP	NA	NA
+MJ085870	2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 4-Hexanoyl, 2,9-di-Ac 	C30H44O13	612.278191	NA	MeJP	NA	NA
+MJ085871	Picrasinoside H 	C30H44O13	612.278191	NA	MeJP	NA	NA
+PJ008875	PTCHR 	C24H40N10O7S	612.2802	NA	PeJP	NA	NA
+MJ085872	Aestivophoenin B 	C36H40N2O7	612.283551	NA	MeJP	NA	NA
+PJ008876	SSTRY 	C25H40N8O10	612.2867	NA	PeJP	NA	NA
+PJ008877	PPDER 	C25H40N8O10	612.2868	NA	PeJP	NA	NA
+MJ085873	Spumigin C 	C30H40N6O8	612.290762	NA	MeJP	NA	NA
+PJ008878	PPVDW 	C30H40N6O8	612.2908	NA	PeJP	NA	NA
+MJ085874	3,5,7,8,15-Pentahydroxy-6(17)11-jatrophadiene-9,14-dione, 5-Benzoyl, 7-(2-methylpropanoyl), 3-propanoyl 	C34H44O10	612.293447	NA	MeJP	NA	NA
+MJ085875	Ohchinolal 	C34H44O10	612.293447	NA	MeJP	NA	NA
+MJ085876	Orevactaene 	C34H44O10	612.293447	NA	MeJP	NA	NA
+PJ008879	ATKMY 	C27H44N6O8S	612.2941	NA	PeJP	NA	NA
+PJ008880	APPPTM 	C27H44N6O8S	612.2942	NA	PeJP	NA	NA
+7709	NA	DWNKDLHIW~	612.29535	MH2+	Inhouse_peptide	NA	peptide
+4001	Substance P 7-11	FFGLM~	612.2974	haemolytic	Inhouse_peptide	NA	peptide
+PJ008881	ATEHR 	C24H40N10O9	612.298	NA	PeJP	NA	NA
+MJ085877	Phytonadiol diphosphate 	C31H50O8P2	612.298091	NA	MeJP	NA	NA
+MJ085878	1,4,6,11,14-Eudesmanepentol, 6-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H48O15	612.29932	NA	MeJP	NA	NA
+PJ008882	GTLHW 	C29H40N8O7	612.302	NA	PeJP	NA	NA
+PJ008883	PTKMH 	C26H44N8O7S	612.3054	NA	PeJP	NA	NA
+PJ008884	TTTKY 	C27H44N6O10	612.3119	NA	PeJP	NA	NA
+PJ008885	GPHFR 	C28H40N10O6	612.3133	NA	PeJP	NA	NA
+MJ085879	15-Hydroxy-16-kauren-19-oic acid, 15-O-?-L-Arabinopyranoside, ?-D-glucopyranosyl ester 	C31H48O12	612.314577	NA	MeJP	NA	NA
+MJ085880	4-O-?-D-Arabinopyranosyl-D-arabinose; 2,2',3-Tri-Ac, 1-O-(3,7,11-trimethyl-2,6,10-dodecatrienyl) 	C31H48O12	612.314577	NA	MeJP	NA	NA
+PJ008886	GLMHR 	C25H44N10O6S	612.3166	NA	PeJP	NA	NA
+PJ008887	SLKEH 	C26H44N8O9	612.3231	NA	PeJP	NA	NA
+PJ008888	GSSLLH 	C26H44N8O9	612.3232	NA	PeJP	NA	NA
+MJ085881	Antibiotic WS 7338; Antibiotic WS 7338B 	C31H44N6O7	612.327147	NA	MeJP	NA	NA
+MJ085882	Antibiotic WS 7338; Antibiotic WS 7338C 	C31H44N6O7	612.327147	NA	MeJP	NA	NA
+MJ085883	Spumigin B1; 1'-Alcohol 	C31H44N6O7	612.327147	NA	MeJP	NA	NA
+PJ008889	PPTLW 	C31H44N6O7	612.3272	NA	PeJP	NA	NA
+MJ085884	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(7-Methoxycarbonylheptanoyl), 16-Ac 	C35H48O9	612.329833	NA	MeJP	NA	NA
+PJ008890	APPCLL 	C28H48N6O7S	612.3305	NA	PeJP	NA	NA
+PJ008891	GPPVLM 	C28H48N6O7S	612.3306	NA	PeJP	NA	NA
+PJ008892	STLHR 	C25H44N10O8	612.3344	NA	PeJP	NA	NA
+PJ008893	KFRY 	C30H44N8O6	612.3384	NA	PeJP	NA	NA
+PJ008894	PPLMR 	C27H48N8O6S	612.3418	NA	PeJP	NA	NA
+MJ085885	Pyrrhoxanthinol; 3-Ac 	C39H48O6	612.345089	NA	MeJP	NA	NA
+MJ085886	Bagougeramine B 	C24H44N12O7	612.345591	NA	MeJP	NA	NA
+PJ008895	GPQRR 	C24H44N12O7	612.3456	NA	PeJP	NA	NA
+MJ085887	Hazuntiphyllidine; 2'-Deoxy, 2',16'-didehydro 	C40H44N4O2	612.346426	NA	MeJP	NA	NA
+MJ085888	Pycnanthine 	C40H44N4O2	612.346426	NA	MeJP	NA	NA
+MJ085889	Strychnobiline; 16',17'-Diepimer, 16,17-didehydro 	C40H44N4O2	612.346426	NA	MeJP	NA	NA
+PJ008896	AAPLLE 	C28H48N6O9	612.3483	NA	PeJP	NA	NA
+MJ085890	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Xylopyranoside 	C32H52O11	612.350962	NA	MeJP	NA	NA
+MJ085891	Spirostane-1,2,3,4,5-pentol, 1-O-?-D-Xylopyranoside 	C32H52O11	612.350962	NA	MeJP	NA	NA
+PJ008897	PVLER 	C27H48N8O8	612.3595	NA	PeJP	NA	NA
+PJ008898	PVVLW 	C32H48N6O6	612.3636	NA	PeJP	NA	NA
+C09127	Mancinellin	C36H52O8	612.3662	NA	KEGG	NA	NA
+MJ085892	3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid, Tri-Ac 	C36H52O8	612.366218	NA	MeJP	NA	NA
+MJ085893	6,7-Epoxy-4,5,9,13,20-pentahydroxy-1-tiglien-3-one, 13-(2E,4E,6E-Hexadecatrienoyl) 	C36H52O8	612.366218	NA	MeJP	NA	NA
+MJ085894	Antibiotic S 541; Antibiotic S 541A 	C36H52O8	612.366218	NA	MeJP	NA	NA
+MJ085895	Antibiotic S 541; Antibiotic S 541E 	C36H52O8	612.366218	NA	MeJP	NA	NA
+MJ085896	Antibiotic UK 86956 	C36H52O8	612.366218	NA	MeJP	NA	NA
+MJ085897	Meilingmycin 	C36H52O8	612.366218	NA	MeJP	NA	NA
+PJ008899	PVNKR 	C26H48N10O7	612.3708	NA	PeJP	NA	NA
+MJ085898	Eisenia Inhibitory peptapeptides; EIPP 3 	C31H48N8O5	612.374766	NA	MeJP	NA	NA
+MJ085899	2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 2'-Deoxy 	C40H52O5	612.381474	NA	MeJP	NA	NA
+MJ085900	Mytiloxanthin; 4-Oxo 	C40H52O5	612.381474	NA	MeJP	NA	NA
+MJ085901	Uriolide; 3-Ketone 	C40H52O5	612.381474	NA	MeJP	NA	NA
+PJ008900	GPKRR 	C25H48N12O6	612.382	NA	PeJP	NA	NA
+PJ008901	GPTLLL 	C29H52N6O8	612.3847	NA	PeJP	NA	NA
+HMDB10355	Cholestane-3,7,12,25-tetrol-3-glucuronide	C33H56O10	612.387329	NA	HMDB2010	NA	NA
+MJ085902	3,14,20,22-Tetrahydroxycholestan-6-one, 3-O-?-D-Allopyranoside 	C33H56O10	612.387348	NA	MeJP	NA	NA
+MJ085903	3,14,20,22-Tetrahydroxycholestan-6-one, 3-O-?-D-Glucopyranoside 	C33H56O10	612.387348	NA	MeJP	NA	NA
+MJ085904	Furostane-2,3,22,26-tetrol, 26-O-?-D-Glucopyranoside 	C33H56O10	612.387348	NA	MeJP	NA	NA
+PJ008902	PLQKK 	C28H52N8O7	612.3959	NA	PeJP	NA	NA
+MJ085905	Nemadectin ?2; 6-Deoxy, O5-Me 	C37H56O7	612.402604	NA	MeJP	NA	NA
+PJ008903	AALLLL 	C30H56N6O7	612.4211	NA	PeJP	NA	NA
+PJ008904	VLLLR 	C29H56N8O6	612.4323	NA	PeJP	NA	NA
+MJ085906	Bistellettadine A 	C30H52N12O2	612.433618	NA	MeJP	NA	NA
+MJ085907	Bengamide Z; 6-O-(13-Methyltetradecanoyl) 	C33H60N2O8	612.434966	NA	MeJP	NA	NA
+MJ085908	Bengamide Z; 6-O-Pentadecanoyl 	C33H60N2O8	612.434966	NA	MeJP	NA	NA
+MJ085909	17-Methylandrost-5-ene-3,17-diol, 3,17-Bis(3-oxononanoyl) 	C38H60O6	612.438989	NA	MeJP	NA	NA
+MJ085910	1,1'-Dimethoxy-3',4'-didehydro-1,1',2,2'-tetrahydro-?,?-caroten-4-one 	C42H60O3	612.454245	NA	MeJP	NA	NA
+MJ085911	Annomuricin A 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085912	Annomuricin-D-one 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085913	Annonacin; 8-Hydroxy 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085914	Annonacin; Stereoisomer, 8-hydroxy 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085915	Annopentocin A 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085916	Annoreticuin; 9-Deoxy, 8,13-dihydroxy 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085917	Donnaienin 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085918	Goniodonin 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085919	Muricapentocin 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085920	Muricatalicin 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085921	Muricatalin 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085922	Muricatin A 	C35H64O8	612.460119	NA	MeJP	NA	NA
+MJ085923	Glycerol 1,3-dialkanoates; Glycerol 1,3-di-(9Z,12Z,15Z-octadecatrienoate) 	C39H64O5	612.475375	NA	MeJP	NA	NA
+HMDB07034	DG(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07061	DG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07062	DG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07143	DG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07251	DG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07278	DG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07279	DG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07307	DG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07308	DG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07335	DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07563	DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07705	DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07734	DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+HMDB07762	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0/0:0)	C39H64O5	612.475403	NA	HMDB2010	NA	NA
+MJ085924	1-Dotriacontanol; p-Hydroxycinnamoyl 	C41H72O3	612.548146	NA	MeJP	NA	NA
+MJ085925	Ioprocemic acid 	C13H14I3NO3	612.810773	NA	MeJP	NA	NA
+MJ085926	Maedamine A; N-De-Me 	C22H22Br3N3O3	612.921129	NA	MeJP	NA	NA
+MJ085927	N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(4-methylphenyl)-4-pyrimidinyl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulfonamide 	C27H28BrN5O5S	613.099452	NA	MeJP	NA	NA
+MJ085928	4-Hydroxybenzyl glucosinolate; 4-(4-O-Acetyl-?-L-rhamnopyranoside) 	C22H31NO15S2	613.11351	NA	MeJP	NA	NA
+PJ008905	GCCCND 	C19H31N7O10S3	613.1295	NA	PeJP	NA	NA
+MJ085929	Deacylconvolutamide; N-(9Z-Octadecenoyl) 	C28H41Br2NO4	613.140234	NA	MeJP	NA	NA
+PJ008906	CDDMM 	C21H35N5O10S3	613.1546	NA	PeJP	NA	NA
+PJ008907	GSCCNM 	C20H35N7O9S3	613.1659	NA	PeJP	NA	NA
+PJ008908	CDDDF 	C24H31N5O12S	613.169	NA	PeJP	NA	NA
+PJ008909	CCDHH 	C22H31N9O8S2	613.1737	NA	PeJP	NA	NA
+PJ008910	SSSCCQ 	C20H35N7O11S2	613.1836	NA	PeJP	NA	NA
+PJ008911	SDDDY 	C24H31N5O14	613.1868	NA	PeJP	NA	NA
+PJ008912	PCCEY 	C25H35N5O9S2	613.1876	NA	PeJP	NA	NA
+PJ008913	SDMMM 	C22H39N5O9S3	613.191	NA	PeJP	NA	NA
+PJ008914	CCNQF 	C24H35N7O8S2	613.1989	NA	PeJP	NA	NA
+PJ008915	GSSSSSC 	C20H35N7O13S	613.2014	NA	PeJP	NA	NA
+PJ008916	GTCCCK 	C21H39N7O8S3	613.2023	NA	PeJP	NA	NA
+PJ008917	GDEMY 	C25H35N5O11S	613.2054	NA	PeJP	NA	NA
+PJ008918	NNDDH 	C22H31N9O12	613.2092	NA	PeJP	NA	NA
+PJ008919	GGNDDH 	C22H31N9O12	613.2093	NA	PeJP	NA	NA
+PJ008920	AMMMM 	C23H43N5O6S4	613.2096	NA	PeJP	NA	NA
+PJ008921	SCMHH 	C23H35N9O7S2	613.2101	NA	PeJP	NA	NA
+PJ008922	SCNQY 	C24H35N7O10S	613.2166	NA	PeJP	NA	NA
+PJ008923	SSSCCK 	C21H39N7O10S2	613.22	NA	PeJP	NA	NA
+PJ008924	DMYW 	C29H35N5O8S	613.2207	NA	PeJP	NA	NA
+PJ008925	SSEEY 	C25H35N5O13	613.2231	NA	PeJP	NA	NA
+PJ008926	PTCMY 	C26H39N5O8S2	613.224	NA	PeJP	NA	NA
+PJ008927	TTMMM 	C23H43N5O8S3	613.2274	NA	PeJP	NA	NA
+PJ008928	GSPCNH 	C23H35N9O9S	613.2279	NA	PeJP	NA	NA
+MJ085930	Neoacrimarine E 	C35H35NO9	613.231181	NA	MeJP	NA	NA
+PJ008929	GSSSNY 	C24H35N7O12	613.2344	NA	PeJP	NA	NA
+PJ008930	CCNKF 	C25H39N7O7S2	613.2353	NA	PeJP	NA	NA
+MJ085931	Pseudolycorine; O1,O2-Di-O-?-D-glucopyranoside 	C28H39NO14	613.237054	NA	MeJP	NA	NA
+PJ008931	GPDYY 	C29H35N5O10	613.2384	NA	PeJP	NA	NA
+PJ008932	MMFW 	C30H39N5O5S2	613.2393	NA	PeJP	NA	NA
+PJ008933	ATEMY 	C26H39N5O10S	613.2418	NA	PeJP	NA	NA
+PJ008934	ACHHF 	C27H35N9O6S	613.2431	NA	PeJP	NA	NA
+PJ008935	SNQEH 	C23H35N9O11	613.2456	NA	PeJP	NA	NA
+PJ008936	GNNFY 	C28H35N7O9	613.2496	NA	PeJP	NA	NA
+PJ008937	GGGNFY 	C28H35N7O9	613.2497	NA	PeJP	NA	NA
+PJ008938	SCNKY 	C25H39N7O9S	613.253	NA	PeJP	NA	NA
+PJ008939	DFFW 	C33H35N5O7	613.2537	NA	PeJP	NA	NA
+PJ008940	GPMFY 	C30H39N5O7S	613.257	NA	PeJP	NA	NA
+PJ008941	TTTEY 	C26H39N5O12	613.2595	NA	PeJP	NA	NA
+PJ008942	GLMMY 	C27H43N5O7S2	613.2604	NA	PeJP	NA	NA
+PJ008943	GSQHW 	C27H35N9O8	613.2609	NA	PeJP	NA	NA
+PJ008944	AQQMH 	C24H39N9O8S	613.2642	NA	PeJP	NA	NA
+PJ008945	GAAQMH 	C24H39N9O8S	613.2643	NA	PeJP	NA	NA
+C07597	Ferroxamine	C25H45FeN6O8	613.2648	NA	KEGG	NA	NA
+PJ008946	SLEEH 	C25H39N7O11	613.2708	NA	PeJP	NA	NA
+PJ008947	PVMMH 	C26H43N7O6S2	613.2716	NA	PeJP	NA	NA
+PJ008948	SPHHH 	C26H35N11O7	613.2721	NA	PeJP	NA	NA
+PJ008949	APTYY 	C30H39N5O9	613.2748	NA	PeJP	NA	NA
+PJ008950	GNMHR 	C23H39N11O7S	613.2755	NA	PeJP	NA	NA
+7891	peptide from bovine b-lactoglobulin A	WYSLAMAASDI	613.27615	MH2+	Inhouse_peptide	NA	peptide
+PJ008951	STLMY 	C27H43N5O9S	613.2782	NA	PeJP	NA	NA
+C17589	6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C	C23H43N5O14	613.2807	NA	KEGG	NA	NA
+PJ008952	SNKEH 	C24H39N9O10	613.282	NA	PeJP	NA	NA
+PJ008953	SPPQW 	C29H39N7O8	613.286	NA	PeJP	NA	NA
+PJ008954	VVEMH 	C26H43N7O8S	613.2894	NA	PeJP	NA	NA
+PJ008955	VFYW 	C34H39N5O6	613.2901	NA	PeJP	NA	NA
+PJ008956	SSQHR 	C23H39N11O9	613.2932	NA	PeJP	NA	NA
+PJ008957	GGSTHR 	C23H39N11O9	613.2933	NA	PeJP	NA	NA
+PJ008958	GLMFF 	C31H43N5O6S	613.2934	NA	PeJP	NA	NA
+PJ008959	GSKHW 	C28H39N9O7	613.2973	NA	PeJP	NA	NA
+PJ008960	PPNMR 	C25H43N9O7S	613.3006	NA	PeJP	NA	NA
+PJ008961	GGPPMR 	C25H43N9O7S	613.3007	NA	PeJP	NA	NA
+MJ085932	Phoslactomycin; Phoslactomycin C 	C30H48NO10P	613.301583	NA	MeJP	NA	NA
+MJ085933	Phosphazomycin C2 	C30H48NO10P	613.301583	NA	MeJP	NA	NA
+PJ008962	GSPPKE 	C26H43N7O10	613.3072	NA	PeJP	NA	NA
+PJ008963	ALHHH 	C27H39N11O6	613.3085	NA	PeJP	NA	NA
+PJ008964	GVLYY 	C31H43N5O8	613.3112	NA	PeJP	NA	NA
+PJ008965	ACKHR 	C24H43N11O6S	613.3119	NA	PeJP	NA	NA
+PJ008966	PVNER 	C25H43N9O9	613.3184	NA	PeJP	NA	NA
+PJ008967	SPPKW 	C30H43N7O7	613.3224	NA	PeJP	NA	NA
+MJ085934	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac 	C34H47NO9	613.325082	NA	MeJP	NA	NA
+MJ085935	Isodelphinine; N-De-Me, N-Et 	C34H47NO9	613.325082	NA	MeJP	NA	NA
+MJ085936	Oleficin 	C34H47NO9	613.325082	NA	MeJP	NA	NA
+PJ008968	TLLMH 	C27H47N7O7S	613.3258	NA	PeJP	NA	NA
+PJ008969	GPERR 	C24H43N11O8	613.3296	NA	PeJP	NA	NA
+PJ008970	GPVRW 	C29H43N9O6	613.3337	NA	PeJP	NA	NA
+PJ008971	AKKMH 	C26H47N9O6S	613.337	NA	PeJP	NA	NA
+EUR797	Lyso PC 22:6 [M+FA-H]-	C30H50NO7P	613.337372	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR797	Lyso PC 22:6 [M+FA-H]-	C30H50NO7P	613.337372	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR797	Lyso PC 22:6 [M+FA-H]-	C30H50NO7P	613.337372	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR797	Lyso PC 22:6 [M+FA-H]-	C30H50NO7P	613.337372	masses lipides attendues	Inhousejuil11	NA	NA
+EUR928	Lyso PE 24:6 [M-H+acetate]-	C29H48NO7P	613.337942	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR928	Lyso PE 24:6 [M-H+acetate]-	C29H48NO7P	613.337942	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR928	Lyso PE 24:6 [M-H+acetate]-	C29H48NO7P	613.337942	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR928	Lyso PE 24:6 [M-H+acetate]-	C29H48NO7P	613.337942	masses lipides attendues	Inhousejuil11	NA	NA
+PJ008972	PLQKE 	C27H47N7O9	613.3435	NA	PeJP	NA	NA
+PJ008973	GAPLKE 	C27H47N7O9	613.3436	NA	PeJP	NA	NA
+PJ008974	PRRW 	C28H43N11O5	613.3449	NA	PeJP	NA	NA
+MJ085937	Platenomycin A1; Demycarosyl 	C31H51NO11	613.346211	NA	MeJP	NA	NA
+MJ085938	Toxiferine I; Monodeoxy 	C40H46N4O2(+)	613.354251	NA	MeJP	NA	NA
+PJ008975	PVDKR 	C26H47N9O8	613.3548	NA	PeJP	NA	NA
+PJ008976	APLKW 	C31H47N7O6	613.3588	NA	PeJP	NA	NA
+C07051	Indinavir	C36H47N5O4	613.3628	NA	KEGG	NA	NA
+MJ085939	Indinavir 	C36H47N5O4	613.362805	NA	MeJP	NA	NA
+PJ008977	SPVRR 	C25H47N11O7	613.366	NA	PeJP	NA	NA
+PJ008978	PLKKE 	C28H51N7O8	613.3799	NA	PeJP	NA	NA
+PJ008979	GGAALLL 	C28H51N7O8	613.38	NA	PeJP	NA	NA
+PJ008980	PTLKR 	C27H51N9O7	613.3912	NA	PeJP	NA	NA
+PJ008981	GLLRR 	C26H51N11O6	613.4024	NA	PeJP	NA	NA
+PJ008982	LLLQK 	C29H55N7O7	613.4163	NA	PeJP	NA	NA
+PJ008983	VVLKR 	C28H55N9O6	613.4276	NA	PeJP	NA	NA
+MJ085940	Stevastelin C3 	C32H59N3O8	613.430215	NA	MeJP	NA	NA
+PJ008984	LLLKK 	C30H59N7O6	613.4527	NA	PeJP	NA	NA
+MJ085941	Pirralkonium(1+); Bromide 	C35H72BrN3	613.490961	NA	MeJP	NA	NA
+MJ085942	2-Amino-1,3,4-tricosanetriol, N-(2R-Hydroxytetradecanoyl) 	C37H75NO5	613.564524	NA	MeJP	NA	NA
+MJ085943	3,5-Diamino-2,4,6-triiodobenzoic acid; N,N'-Di-Ac 	C11H9I3N2O4	613.769637	NA	MeJP	NA	NA
+MJ085944	Iotalamic acid 	C11H9I3N2O4	613.769637	NA	MeJP	NA	NA
+MJ085945	5,5'-(1,2-Dibromo-1,2-ethanediylidene)bis[4-bromo-3-butyl-2(5H)-furanone] 	C18H18Br4O4	613.793859	NA	MeJP	NA	NA
+MJ085946	Iocetamic acid 	C12H13I3N2O3	613.806022	NA	MeJP	NA	NA
+MJ085947	Iomeglamic acid 	C12H13I3N2O3	613.806022	NA	MeJP	NA	NA
+7663	ACE inhibitor from b-CN (193-202)	YQEPVLQPVR	613.823	MH2+	Inhouse_peptide	NA	peptide
+2881	opioid fragment of b-lipotropin b/a-neoendorphin	YGGFLRKYPK	613.8305	MH2+	Inhouse_peptide	NA	peptide
+MJ085948	N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide; Monoiodo analogue 	C24H28BrIN2O4	614.027713	NA	MeJP	NA	NA
+MJ085949	Castacrenin A 	C27H18O17	614.054399	NA	MeJP	NA	NA
+MJ085950	Castacrenin B 	C27H18O17	614.054399	NA	MeJP	NA	NA
+MJ085951	Castacrenin C 	C27H18O17	614.054399	NA	MeJP	NA	NA
+MJ085952	Crisamicin A; 1-Hydroxy 	C32H22O13	614.10604	NA	MeJP	NA	NA
+MJ085953	Crisamicin A; 4'a,10'a-Epoxide 	C32H22O13	614.10604	NA	MeJP	NA	NA
+MJ085954	Crisamicin A; 9'-Hydroxy 	C32H22O13	614.10604	NA	MeJP	NA	NA
+MJ085955	Triumbellatin; 7'-O-D-Apiofuranoside 	C32H22O13	614.10604	NA	MeJP	NA	NA
+PJ008985	GCCCDD 	C19H30N6O11S3	614.1135	NA	PeJP	NA	NA
+MJ085956	2-Cinnamoyl-1,6-digalloylglucose; ?-D-Pyranose-form 	C29H26O15	614.12717	NA	MeJP	NA	NA
+MJ085957	6-O-Cinnamoylglucose; ?-D-form, 1,2-Bis(3,4,5-trihydroxybenzoyl) 	C29H26O15	614.12717	NA	MeJP	NA	NA
+PJ008986	SPCCCC 	C20H34N6O8S4	614.1321	NA	PeJP	NA	NA
+MJ085958	CMP-N-acetylneuraminate 	C20H31N4O16P	614.147267	NA	MeJP	NA	NA
+MetaCyc03981	CMP-N-acetylneuraminate [cytidine monophosphate N-acetylneuraminate;cytidine monophosphate N-acetylneuraminic acid;]	C20H31N4O16P1	614.147267	3063-71-6	metacyc	NA	NA
+HMDB01176	Cytidine monophosphate N-acetylneuraminic acid	C20H31N4O16P	614.147278	NA	HMDB2010	NA	NA
+HMDB01176	Cytidine monophosphate N-acetylneuraminic acid	C20H31N4O16P	614.14728	http://www.hmdb.ca/metabolites/HMDB01176	HMDB	NA	NA
+HMDB01176	Cytidine monophosphate N-acetylneuraminic acid	C20H31N4O16P	614.14728	HMDB01176	PFEM_hmdb_metabocards_official	NA	NA
+C00128	CMP-N-acetylneuraminate	C20H31N4O16P	614.1473	NA	KEGG	NA	NA
+PJ008987	GSCCDM 	C20H34N6O10S3	614.1499	NA	PeJP	NA	NA
+FL1CQUCN0001	Safflomin C	C30H30O14	614.16355	126093-98-9	knapsack	NA	NA
+MJ085959	Cinchonain Ic; 8-Epimer, 9-O-?-D-glucopyranoside 	C30H30O14	614.163555	NA	MeJP	NA	NA
+MJ085960	Safflomin C 	C30H30O14	614.163555	NA	MeJP	NA	NA
+PJ008988	TCCCW 	C24H34N6O7S3	614.1651	NA	PeJP	NA	NA
+PJ008989	SSSCCE 	C20H34N6O12S2	614.1676	NA	PeJP	NA	NA
+PJ008990	CCQMM 	C21H38N6O7S4	614.1685	NA	PeJP	NA	NA
+MJ085961	16-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac 	C28H35ClO13	614.176618	NA	MeJP	NA	NA
+MJ085962	6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,13,14-Tetra-Ac 	C28H35ClO13	614.176618	NA	MeJP	NA	NA
+MJ085963	Trianguletin; 4'''-Hydroxy 	C34H30O11	614.178811	NA	MeJP	NA	NA
+PJ008991	CCCMR 	C20H38N8O6S4	614.1797	NA	PeJP	NA	NA
+PJ008992	CCNEF 	C24H34N6O9S2	614.1829	NA	PeJP	NA	NA
+FL63ACGS0021	Catechin 5,3'-di-O-beta-D-glucopyranoside	C27H34O16	614.18468	105330-54-9	knapsack	NA	NA
+FL63ACGS0022	Catechin 5,4'-di-O-beta-D-glucopyranoside	C27H34O16	614.18468	105330-56-1	knapsack	NA	NA
+FL63ACGS0023	Catechin 7,3'-di-O-beta-D-glucopyranoside	C27H34O16	614.18468	105330-53-8	knapsack	NA	NA
+FL63ACGS0024	Catechin 3',4'-di-O-beta-D-glucopyranoside	C27H34O16	614.18468	105330-55-0	knapsack	NA	NA
+FL63ECGS0001	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan 3-O-[glucopyranosyl-(4->1)-alpha-D-xylopyranoside]	C27H34O16	614.18468	73566-31-1	knapsack	NA	NA
+MJ085964	2',3,4,4'-Tetrahydroxychalcone; 4'-O-(Arabinosylgalactoside) 	C27H34O16	614.184685	NA	MeJP	NA	NA
+MJ085965	3,3',4',5,7-Pentahydroxyflavan, 3',4'-Di-O-?-D-glucopyranoside 	C27H34O16	614.184685	NA	MeJP	NA	NA
+MJ085966	3,3',4',5,7-Pentahydroxyflavan, 3',5-Di-O-?-D-glucopyranoside 	C27H34O16	614.184685	NA	MeJP	NA	NA
+MJ085967	3,3',4',5,7-Pentahydroxyflavan, 3',7-Di-O-?-D-glucopyranoside 	C27H34O16	614.184685	NA	MeJP	NA	NA
+MJ085968	3,3',4',5,7-Pentahydroxyflavan, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H34O16	614.184685	NA	MeJP	NA	NA
+MJ085969	3,3',4',5,7-Pentahydroxyflavan, 4',5-Di-O-?-D-glucopyranoside 	C27H34O16	614.184685	NA	MeJP	NA	NA
+C10805	Leiocarposide	C27H34O16	614.1847	NA	KEGG	NA	NA
+PJ008993	GSSCMM 	C21H38N6O9S3	614.1863	NA	PeJP	NA	NA
+PJ008994	NDDDH 	C22H30N8O13	614.1933	NA	PeJP	NA	NA
+PJ008995	GCCFW 	C28H34N6O6S2	614.1981	NA	PeJP	NA	NA
+MJ085970	6-Hydroxyloganin; 6,7-Dibenzoyl 	C31H34O13	614.199941	NA	MeJP	NA	NA
+MJ085971	Paeoniflorin; 6'-(4-Methoxybenzoyl) 	C31H34O13	614.199941	NA	MeJP	NA	NA
+MJ085972	Resinoside A 	C31H34O13	614.199941	NA	MeJP	NA	NA
+PJ008996	SCNEY 	C24H34N6O11S	614.2006	NA	PeJP	NA	NA
+PJ008997	GGSCEY 	C24H34N6O11S	614.2007	NA	PeJP	NA	NA
+PJ008998	SSSTCM 	C21H38N6O11S2	614.204	NA	PeJP	NA	NA
+PJ008999	CCKMM 	C22H42N6O6S4	614.2049	NA	PeJP	NA	NA
+PJ009000	GSPCDH 	C23H34N8O10S	614.2119	NA	PeJP	NA	NA
+MJ085973	Calycopterone 	C35H34O10	614.215197	NA	MeJP	NA	NA
+PJ009001	GSCYW 	C28H34N6O8S	614.2159	NA	PeJP	NA	NA
+PJ009002	GSSSDY 	C24H34N6O13	614.2184	NA	PeJP	NA	NA
+PJ009003	GNMMY 	C25H38N6O8S2	614.2193	NA	PeJP	NA	NA
+MJ085974	2,3,9-Trihydroxy-15-cadalenoic acid; 3,9-Di-O-?-D-glucopyranoside, Me ester 	C28H38O15	614.22107	NA	MeJP	NA	NA
+MJ085975	Asaolaside 	C28H38O15	614.22107	NA	MeJP	NA	NA
+PJ009004	CNNQH 	C22H34N10O9S	614.2231	NA	PeJP	NA	NA
+MJ085976	?-[[1-Butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-pyrazol-4-yl]methylene]-6-methoxy-1,3-benzodioxole-5-propanoic acid 	C34H34N2O9	614.22643	NA	MeJP	NA	NA
+PJ009005	SNEEH 	C23H34N8O12	614.2296	NA	PeJP	NA	NA
+PJ009006	GGSEEH 	C23H34N8O12	614.2297	NA	PeJP	NA	NA
+PJ009007	ACCRY 	C24H38N8O7S2	614.2305	NA	PeJP	NA	NA
+PJ009008	GNDFY 	C28H34N6O10	614.2337	NA	PeJP	NA	NA
+MJ085977	Buddlenol E; 5''-Methoxy 	C32H38O12	614.236326	NA	MeJP	NA	NA
+MJ085978	Buddlenol E; 5'-Methoxy 	C32H38O12	614.236326	NA	MeJP	NA	NA
+MJ085979	Luminamicin 	C32H38O12	614.236326	NA	MeJP	NA	NA
+PJ009009	SSQMY 	C25H38N6O10S	614.237	NA	PeJP	NA	NA
+MJ085980	Protochlorophyllide 	C35H34MgN4O5	614.237962	NA	MeJP	NA	NA
+MetaCyc03982	chlorophyllide [chlorophyllide a;]	C35H34N4O5MG1	614.237962	14897-06-4	metacyc	NA	NA
+MetaCyc03983	131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester [131-hydroxy-Mg-protoporphyrin IX 13-monomethyl ester;]	C35H34N4O5MG1	614.237962	NA	metacyc	NA	NA
+MetaCyc03984	chlorophyllide a [chlorophyllide a;]	C35H34N4O5MG1	614.237962	NA	metacyc	NA	NA
+C02139	Chlorophyllide	C35H34MgN4O5	614.238	NA	KEGG	NA	NA
+C11829	13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester	C35H34MgN4O5	614.238	NA	KEGG	NA	NA
+PJ009010	GSSNNH 	C22H34N10O11	614.2409	NA	PeJP	NA	NA
+PJ009011	PCCHR 	C23H38N10O6S2	614.2417	NA	PeJP	NA	NA
+PJ009012	GSEHW 	C27H34N8O9	614.2449	NA	PeJP	NA	NA
+PJ009013	SSCRY 	C24H38N8O9S	614.2483	NA	PeJP	NA	NA
+MJ085981	Antibiotic X 1008 	C29H38N6O7S	614.252268	NA	MeJP	NA	NA
+PJ009014	GNMFF 	C29H38N6O7S	614.2523	NA	PeJP	NA	NA
+PJ009015	GSSTTY 	C25H38N6O12	614.2548	NA	PeJP	NA	NA
+PJ009016	ACKMY 	C26H42N6O7S2	614.2557	NA	PeJP	NA	NA
+PJ009017	GDMHR 	C23H38N10O8S	614.2595	NA	PeJP	NA	NA
+PJ009018	SHWW 	C31H34N8O6	614.2601	NA	PeJP	NA	NA
+PJ009019	AAMHW 	C28H38N8O6S	614.2635	NA	PeJP	NA	NA
+PJ009020	SDKEH 	C24H38N8O11	614.266	NA	PeJP	NA	NA
+PJ009021	GGGGGPVD 	C24H38N8O11	614.2661	NA	PeJP	NA	NA
+PJ009022	PCKMH 	C25H42N8O6S2	614.2669	NA	PeJP	NA	NA
+PJ009023	GQHHH 	C25H34N12O7	614.2674	NA	PeJP	NA	NA
+PJ009024	SPPEW 	C29H38N6O9	614.27	NA	PeJP	NA	NA
+PJ009025	PPTDW 	C29H38N6O9	614.2701	NA	PeJP	NA	NA
+MJ085982	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 10-Benzoyl, 2,7,9-tri-Ac 	C33H42O11	614.272712	NA	MeJP	NA	NA
+MJ085983	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 9-Benzoyl, 2,7,13-tri-Ac 	C33H42O11	614.272712	NA	MeJP	NA	NA
+MJ085984	3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,14-tri-Ac 	C33H42O11	614.272712	NA	MeJP	NA	NA
+MJ085985	3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,8-tri-Ac 	C33H42O11	614.272712	NA	MeJP	NA	NA
+MJ085986	Detigloylswietenine; 8?,30?-Epoxide, 3-(2-methylpropanoyl), 6-Ac 	C33H42O11	614.272712	NA	MeJP	NA	NA
+MJ085987	Rohituka 13 	C33H42O11	614.272712	NA	MeJP	NA	NA
+PJ009026	SSKMY 	C26H42N6O9S	614.2734	NA	PeJP	NA	NA
+PJ009027	SSEHR 	C23H38N10O10	614.2773	NA	PeJP	NA	NA
+PJ009028	ATTHW 	C28H38N8O8	614.2813	NA	PeJP	NA	NA
+PJ009029	SLQMH 	C25H42N8O8S	614.2846	NA	PeJP	NA	NA
+PJ009030	PPDMR 	C25H42N8O8S	614.2847	NA	PeJP	NA	NA
+7720	NA	EPAWSNLGIWG	614.28695	MH2+	Inhouse_peptide	NA	peptide
+PJ009031	PPCLW 	C30H42N6O6S	614.2887	NA	PeJP	NA	NA
+PJ009032	PLQEE 	C26H42N6O11	614.2912	NA	PeJP	NA	NA
+MJ085988	Petuniasterone R 	C34H46O8S	614.291339	NA	MeJP	NA	NA
+PJ009033	PPQHH 	C27H38N10O7	614.2925	NA	PeJP	NA	NA
+MJ085989	Nigakihemiacetal A; 16-O-?-D-Glycopyranoside(16?-), 11-Ac 	C30H46O13	614.293841	NA	MeJP	NA	NA
+MJ085990	Antibiotic 15G256? 	C31H42N4O9	614.295178	NA	MeJP	NA	NA
+PJ009034	ATMHR 	C24H42N10O7S	614.2959	NA	PeJP	NA	NA
+PJ009035	PVDER 	C25H42N8O10	614.3024	NA	PeJP	NA	NA
+PJ009036	GKHHH 	C26H38N12O6	614.3038	NA	PeJP	NA	NA
+PJ009037	APLEW 	C30H42N6O8	614.3064	NA	PeJP	NA	NA
+MJ085991	Oscillaginin A 	C29H47ClN4O8	614.308242	NA	MeJP	NA	NA
+MJ085992	Ingol; 7,8-Ditigloyl, 3,12-di-Ac 	C34H46O10	614.309097	NA	MeJP	NA	NA
+MJ085993	Wikstroelide H 	C34H46O10	614.309097	NA	MeJP	NA	NA
+PJ009038	GPPTLM 	C27H46N6O8S	614.3098	NA	PeJP	NA	NA
+HMDB02160	Harderoporphyrinogen	C35H42N4O6	614.31042	http://www.hmdb.ca/metabolites/HMDB02160	HMDB	NA	NA
+HMDB02160	Harderoporphyrinogen	C35H42N4O6	614.31042	HMDB02160	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02160	Harderoporphyrinogen	C35H42N4O6	614.310425	NA	HMDB2010	NA	NA
+MJ085994	4-[[2-[[3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid 	C35H42N4O6	614.310435	NA	MeJP	NA	NA
+MJ085995	Neomycin B 	C23H46N6O13	614.312285	NA	MeJP	NA	NA
+MJ085996	Neomycin C 	C23H46N6O13	614.312285	NA	MeJP	NA	NA
+C01737	Neomycin B	C23H46N6O13	614.3123	NA	KEGG	NA	NA
+C15652	Neomycin C	C23H46N6O13	614.3123	NA	KEGG	NA	NA
+C15653	Peptide-L-methionine (R)-S-oxide	C6H10N2O3SR2	614.3123	NA	KEGG	NA	NA
+PJ009039	TTTHR 	C24H42N10O9	614.3136	NA	PeJP	NA	NA
+PJ009040	GGPTQR 	C24H42N10O9	614.3137	NA	PeJP	NA	NA
+PJ009041	GPQKW 	C29H42N8O7	614.3177	NA	PeJP	NA	NA
+MJ085997	4-[4-[5-[2-[Bis(phenylmethyl)amino]-2-oxoethyl]-2-heptyl-4-oxo-3-thiazolidinyl]butyl]benzoic acid 	C37H46N2O4S	614.317828	NA	MeJP	NA	NA
+3587	NA	WWPK~	614.32	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ085998	Delectinine; O18-(2-Acetamidobenzoyl) 	C33H46N2O9	614.320331	NA	MeJP	NA	NA
+MJ085999	Delectinine; O18-(2-Aminobenzoyl), O14-Ac 	C33H46N2O9	614.320331	NA	MeJP	NA	NA
+MJ086000	Viridiofungin C 	C33H46N2O9	614.320331	NA	MeJP	NA	NA
+PJ009042	SLKMH 	C26H46N8O7S	614.321	NA	PeJP	NA	NA
+MJ086001	Gambogenin 	C38H46O7	614.324353	NA	MeJP	NA	NA
+PJ009043	PLKEE 	C27H46N6O10	614.3276	NA	PeJP	NA	NA
+PJ009044	GVHFR 	C28H42N10O6	614.3289	NA	PeJP	NA	NA
+MJ086002	Spermine; Bis(4-hydroxy-3,5-dimethoxycinnamoyl) 	C32H46N4O8	614.331564	NA	MeJP	NA	NA
+3593	heparin-binding peptide	WQWRGKKLGA	614.334	MH2+	Inhouse_peptide	NA	peptide
+3516	ACE inhibitor	IRAQQ	614.338	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ009045	PTLER 	C26H46N8O9	614.3388	NA	PeJP	NA	NA
+PJ009046	HFRR 	C27H42N12O5	614.3401	NA	PeJP	NA	NA
+PJ009047	SPLLW 	C31H46N6O7	614.3428	NA	PeJP	NA	NA
+MJ086003	2,3,11,14,20,22,24-Heptahydroxyergost-7-en-6-one, 20,22-(4-Hydroxybenzylidene) acetal 	C35H50O9	614.345483	NA	MeJP	NA	NA
+MJ086004	Antibiotic VM 44866; 13?-Hydroxy, 5-Me ether 	C35H50O9	614.345483	NA	MeJP	NA	NA
+MJ086005	Milbemycin ?3; 26-(Propanoyloxy) 	C35H50O9	614.345483	NA	MeJP	NA	NA
+PJ009048	AAPLLM 	C28H50N6O7S	614.3462	NA	PeJP	NA	NA
+PJ009049	SPQKR 	C25H46N10O8	614.35	NA	PeJP	NA	NA
+PJ009050	GGGGVLR 	C25H46N10O8	614.3501	NA	PeJP	NA	NA
+MJ086006	Electrin 4 	C30H46N8O6	614.354031	NA	MeJP	NA	NA
+PJ009051	GPKKW 	C30H46N8O6	614.3541	NA	PeJP	NA	NA
+PJ009052	PVLMR 	C27H50N8O6S	614.3574	NA	PeJP	NA	NA
+PJ009053	GVQRR 	C24H46N12O7	614.3613	NA	PeJP	NA	NA
+MJ086007	Aristoaristone 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+MJ086008	Bisaristone A 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+MJ086009	Insulopinine 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+MJ086010	Matopensine; 16-Ethoxy,16'-epimer 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+MJ086011	Pycnanthine; 14',15'-Dihydro 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+MJ086012	Pycnanthinine 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+MJ086013	Strychnobiline 	C40H46N4O2	614.362076	NA	MeJP	NA	NA
+C09246	Toxiferine I	C40H46N4O2	614.3621	NA	KEGG	NA	NA
+PJ009054	LLLQE 	C28H50N6O9	614.3639	NA	PeJP	NA	NA
+PJ009055	GALLLE 	C28H50N6O9	614.364	NA	PeJP	NA	NA
+MJ086014	Adociasulfate 4 	C36H54O6S	614.36411	NA	MeJP	NA	NA
+MJ086015	Adociasulfate 5 	C36H54O6S	614.36411	NA	MeJP	NA	NA
+MJ086016	Adociasulfate 6 	C36H54O6S	614.36411	NA	MeJP	NA	NA
+MJ086017	Toxicol B; 4'-Sulfate 	C36H54O6S	614.36411	NA	MeJP	NA	NA
+MJ086018	1,6,10,14-Phytatetraene-3,13-diol, 13-O[?-L-Fucopyranosyl(1?6)-?-D-glucopyranoside] 	C32H54O11	614.366612	NA	MeJP	NA	NA
+MJ086019	3,14-Clerodadiene-6,13-diol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H54O11	614.366612	NA	MeJP	NA	NA
+MJ086020	6,16,17-Kauranetriol, Glycoside 	C32H54O11	614.366612	NA	MeJP	NA	NA
+MJ086021	8(17),13-Labdadiene-3,15-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H54O11	614.366612	NA	MeJP	NA	NA
+MJ086022	8(17),14-Labdadiene-13,18-diol, 18-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H54O11	614.366612	NA	MeJP	NA	NA
+MJ086023	8(17),14-Labdadiene-3,13-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H54O11	614.366612	NA	MeJP	NA	NA
+PJ009056	QRRR 	C23H46N14O6	614.3725	NA	PeJP	NA	NA
+PJ009057	VVLER 	C27H50N8O8	614.3752	NA	PeJP	NA	NA
+PJ009058	ALLLW 	C32H50N6O6	614.3792	NA	PeJP	NA	NA
+MJ086024	12,16-Dihydroxy-20,24-dimethyl-17-scalaren-25,24-olide, 12-(3-Acetoxypentanoyl), 16-Ac 	C36H54O8	614.381868	NA	MeJP	NA	NA
+MJ086025	Nemadectin ?2 	C36H54O8	614.381868	NA	MeJP	NA	NA
+MJ086026	Synaptolepis factor K1 	C36H54O8	614.381868	NA	MeJP	NA	NA
+C09192	Synaptolepis factor K1	C36H54O8	614.3819	NA	KEGG	NA	NA
+PJ009059	SPKKR 	C26H50N10O7	614.3864	NA	PeJP	NA	NA
+C11321	3-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate	C32H58N2O7S	614.3965	NA	KEGG	NA	NA
+MJ086027	2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 4'-Deoxo 	C40H54O5	614.397124	NA	MeJP	NA	NA
+MJ086028	Amarouciaxanthin A 	C40H54O5	614.397124	NA	MeJP	NA	NA
+MJ086029	Gyroxanthin 	C40H54O5	614.397124	NA	MeJP	NA	NA
+MJ086030	Uriolide 	C40H54O5	614.397124	NA	MeJP	NA	NA
+PJ009060	GVKRR 	C25H50N12O6	614.3977	NA	PeJP	NA	NA
+PJ009061	LLLKE 	C29H54N6O8	614.4003	NA	PeJP	NA	NA
+MJ086031	Antibiotic X 14889C 	C33H58O10	614.402998	NA	MeJP	NA	NA
+MJ086032	Cholestane-3,4,6,8,15,24-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) 	C33H58O10	614.402998	NA	MeJP	NA	NA
+MJ086033	Cholestane-3,4,6,8,15,24-hexol, 24-O-(3-O-Methyl-?-D-xylopyranoside) 	C33H58O10	614.402998	NA	MeJP	NA	NA
+MJ086034	Cholestane-3,6,8,15,16,26-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) 	C33H58O10	614.402998	NA	MeJP	NA	NA
+PJ009062	KRRR 	C24H50N14O5	614.4089	NA	PeJP	NA	NA
+PJ009063	TLLLR 	C28H54N8O7	614.4116	NA	PeJP	NA	NA
+MJ086035	12-Oleanene-3,16,21,22,28-pentol, 21-(Methylbutenoyl), 22-Ac 	C37H58O7	614.418254	NA	MeJP	NA	NA
+MJ086036	12-Oleanene-3,16,21,22,28-pentol, 21-Tigloyl, 22-Ac 	C37H58O7	614.418254	NA	MeJP	NA	NA
+MJ086037	12-Oleanene-3,16,21,22,28-pentol, 21-Tigloyl, 28-Ac 	C37H58O7	614.418254	NA	MeJP	NA	NA
+MJ086038	Lanost-8,24-diene-3,21-diol; 3?-form, 21-Carboxylic acid, 3-O-(3-hydroxy-4-methoxycarbonyl-3-methylbutanoyl) 	C37H58O7	614.418254	NA	MeJP	NA	NA
+PJ009064	ALKKR 	C27H54N10O6	614.4228	NA	PeJP	NA	NA
+MetaCyc03985	capsorubin []	C41H58O4	614.43351	NA	metacyc	NA	NA
+MJ086039	Antibiotic X 14873A; Decarboxy 	C34H62O9	614.439383	NA	MeJP	NA	NA
+PJ009065	VLKKK 	C29H58N8O6	614.448	NA	PeJP	NA	NA
+MJ086040	3,3',4,4'-Tetrahydrospirilloxanthin-20-al 	C42H62O3	614.469895	NA	MeJP	NA	NA
+MJ086041	Methoxyspheroidene; 2'-Ketone 	C42H62O3	614.469895	NA	MeJP	NA	NA
+MJ086042	Donhexocin 	C35H66O8	614.475769	NA	MeJP	NA	NA
+MJ086043	Gardnerilin A 	C35H66O8	614.475769	NA	MeJP	NA	NA
+HMDB07032	DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07033	DG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07060	DG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07114	DG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07141	DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07142	DG(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07193	DG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07222	DG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07249	DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07250	DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07277	DG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07306	DG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07333	DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07334	DG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07505	DG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07534	DG(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07562	DG(20:5(5Z,8Z,11Z,14Z,17Z)/16:0/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07676	DG(22:4(7Z,10Z,13Z,16Z)/14:1(9Z)/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07704	DG(22:5(4Z,7Z,10Z,13Z,16Z)/14:0/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB07733	DG(22:5(7Z,10Z,13Z,16Z,19Z)/14:0/0:0)	C39H66O5	614.491028	NA	HMDB2010	NA	NA
+HMDB05225	DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C39H66O5	614.49103	http://www.hmdb.ca/metabolites/HMDB05225	HMDB	NA	NA
+HMDB05225	DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C39H66O5	614.49103	HMDB05225	PFEM_hmdb_metabocards_official	NA	NA
+MJ086044	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Triacontyl ester 	C40H70O4	614.52741	NA	MeJP	NA	NA
+MJ086045	3-(4-Hydroxyphenyl)-1-propanol; 1-Dotriacontanoyl 	C41H74O3	614.563796	NA	MeJP	NA	NA
+MJ086046	2-Propylthio-?,?-difluoromethylene ATP 	C14H22F2N5O12P3S	615.016657	NA	MeJP	NA	NA
+MJ086047	Lysolipin X 	C29H26ClNO12	615.114353	NA	MeJP	NA	NA
+PJ009066	GCCCCQ 	C19H33N7O8S4	615.1274	NA	PeJP	NA	NA
+PJ009067	SSCCCN 	C19H33N7O10S3	615.1451	NA	PeJP	NA	NA
+PJ009068	CCEMM 	C21H37N5O8S4	615.1525	NA	PeJP	NA	NA
+MJ086048	Deacylconvolutamide; N-Octadecanoyl 	C28H43Br2NO4	615.155884	NA	MeJP	NA	NA
+PJ009069	GCCCCK 	C20H37N7O7S4	615.1638	NA	PeJP	NA	NA
+PJ009070	CCDEF 	C24H33N5O10S2	615.1669	NA	PeJP	NA	NA
+PJ009071	DDDDH 	C22H29N7O14	615.1773	NA	PeJP	NA	NA
+PJ009072	CCNNY 	C23H33N7O9S2	615.1781	NA	PeJP	NA	NA
+PJ009073	GGGGCCY 	C23H33N7O9S2	615.1782	NA	PeJP	NA	NA
+PJ009074	SCDEY 	C24H33N5O12S	615.1847	NA	PeJP	NA	NA
+PJ009075	PCCMY 	C25H37N5O7S3	615.1855	NA	PeJP	NA	NA
+MJ086049	5,16-Bis[(ethylthio)methyl]-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, Me ester 	C33H33N3O5S2	615.186162	NA	MeJP	NA	NA
+PJ009076	TCMMM 	C22H41N5O7S4	615.1889	NA	PeJP	NA	NA
+PJ009077	GDMMY 	C25H37N5O9S2	615.2033	NA	PeJP	NA	NA
+PJ009078	CNNEH 	C22H33N9O10S	615.2071	NA	PeJP	NA	NA
+PJ009079	GGGGCEH 	C22H33N9O10S	615.2072	NA	PeJP	NA	NA
+PJ009080	SDEEH 	C23H33N7O13	615.2137	NA	PeJP	NA	NA
+PJ009081	PCEMH 	C24H37N7O8S2	615.2145	NA	PeJP	NA	NA
+PJ009082	GDDFY 	C28H33N5O11	615.2177	NA	PeJP	NA	NA
+PJ009083	PCCFF 	C29H37N5O6S2	615.2185	NA	PeJP	NA	NA
+PJ009084	SSEMY 	C25H37N5O11S	615.221	NA	PeJP	NA	NA
+PJ009085	GMMMF 	C26H41N5O6S3	615.2219	NA	PeJP	NA	NA
+PJ009086	GCNHW 	C26H33N9O7S	615.2224	NA	PeJP	NA	NA
+PJ009087	GSSNDH 	C22H33N9O12	615.2249	NA	PeJP	NA	NA
+PJ009088	AEEMH 	C24H37N7O10S	615.2323	NA	PeJP	NA	NA
+PJ009089	APCYY 	C29H37N5O8S	615.2363	NA	PeJP	NA	NA
+PJ009090	ATMMY 	C26H41N5O8S2	615.2397	NA	PeJP	NA	NA
+PJ009091	SNQMH 	C23H37N9O9S	615.2435	NA	PeJP	NA	NA
+MJ086050	Saptomycin D 	C35H37NO9	615.246831	NA	MeJP	NA	NA
+PJ009092	PPCNW 	C28H37N7O7S	615.2475	NA	PeJP	NA	NA
+PJ009093	TTEEH 	C24H37N7O12	615.25	NA	PeJP	NA	NA
+PJ009094	GGPQEE 	C24H37N7O12	615.2501	NA	PeJP	NA	NA
+PJ009095	PTMMH 	C25H41N7O7S2	615.2509	NA	PeJP	NA	NA
+PJ009096	GEHHH 	C25H33N11O8	615.2514	NA	PeJP	NA	NA
+PJ009097	SSPYY 	C29H37N5O10	615.254	NA	PeJP	NA	NA
+PJ009098	AAEYY 	C29H37N5O10	615.2541	NA	PeJP	NA	NA
+PJ009099	SCNHR 	C22H37N11O8S	615.2547	NA	PeJP	NA	NA
+PJ009100	GGSCHR 	C22H37N11O8S	615.2548	NA	PeJP	NA	NA
+PJ009101	TTTMY 	C26H41N5O10S	615.2574	NA	PeJP	NA	NA
+MJ086051	Spermidine; N-(4-Hydroxycinnamoyl), N',N''-bis(3,4-dihydroxycinnamoyl) 	C34H37N3O8	615.258065	NA	MeJP	NA	NA
+PJ009102	PNDDR 	C23H37N9O11	615.2613	NA	PeJP	NA	NA
+PJ009103	GPQEW 	C28H37N7O9	615.2653	NA	PeJP	NA	NA
+PJ009104	HHHW 	C29H33N11O5	615.2666	NA	PeJP	NA	NA
+MJ086052	Merckonine 	C32H41NO11	615.267961	NA	MeJP	NA	NA
+PJ009105	SLEMH 	C25H41N7O9S	615.2687	NA	PeJP	NA	NA
+PJ009106	TFYW 	C33H37N5O7	615.2693	NA	PeJP	NA	NA
+PJ009107	GVMFY 	C30H41N5O7S	615.2727	NA	PeJP	NA	NA
+PJ009108	PLEEE 	C26H41N5O12	615.2752	NA	PeJP	NA	NA
+PJ009109	GQQHF 	C27H37N9O8	615.2765	NA	PeJP	NA	NA
+PJ009110	GGGAAHF 	C27H37N9O8	615.2766	NA	PeJP	NA	NA
+PJ009111	GSPPCR 	C24H41N9O8S	615.2799	NA	PeJP	NA	NA
+PJ009112	PQWW 	C32H37N7O6	615.2806	NA	PeJP	NA	NA
+PJ009113	MFRY 	C29H41N7O6S	615.2839	NA	PeJP	NA	NA
+PJ009114	PNKEE 	C25H41N7O11	615.2864	NA	PeJP	NA	NA
+PJ009115	VVMMH 	C26H45N7O6S2	615.2873	NA	PeJP	NA	NA
+PJ009116	SVHHH 	C26H37N11O7	615.2878	NA	PeJP	NA	NA
+MJ086053	Protocidin 	C29H45NO13	615.28909	NA	MeJP	NA	NA
+PJ009117	GTLYY 	C30H41N5O9	615.2904	NA	PeJP	NA	NA
+C00832	Paromomycin	C23H45N5O14	615.2963	NA	KEGG	NA	NA
+C00833	Procollagen	C23H45N5O14	615.2963	NA	KEGG	NA	NA
+C00834	Prothrombin	C23H45N5O14	615.2963	NA	KEGG	NA	NA
+C17588	6'''-Deamino-6'''-hydroxyneomycin C	C23H45N5O14	615.2963	NA	KEGG	NA	NA
+C17712	Paromomycin II	C23H45N5O14	615.2963	NA	KEGG	NA	NA
+MJ086054	Inosamycin A 	C23H45N5O14	615.296301	NA	MeJP	NA	NA
+MJ086055	Inosamycin B 	C23H45N5O14	615.296301	NA	MeJP	NA	NA
+MJ086056	Neomycin B; 6'''-Deamino, 6'''-hydroxy 	C23H45N5O14	615.296301	NA	MeJP	NA	NA
+MJ086057	Neomycin C; 6'''-Deamino, 6'''-hydroxy 	C23H45N5O14	615.296301	NA	MeJP	NA	NA
+MJ086058	Paromomycin 	C23H45N5O14	615.296301	NA	MeJP	NA	NA
+PJ009118	SPQER 	C24H41N9O10	615.2977	NA	PeJP	NA	NA
+PJ009119	GPKEW 	C29H41N7O8	615.3017	NA	PeJP	NA	NA
+C08688	Hypaconitine	C33H45NO10	615.3043	NA	KEGG	NA	NA
+MJ086059	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl, 8-Ac 	C33H45NO10	615.304346	NA	MeJP	NA	NA
+MJ086060	Balfourine 	C33H45NO10	615.304346	NA	MeJP	NA	NA
+MJ086061	Pyroaconitine; 4'-Methoxy 	C33H45NO10	615.304346	NA	MeJP	NA	NA
+MJ086062	Secojesaconitine 	C33H45NO10	615.304346	NA	MeJP	NA	NA
+PJ009120	PLQQM 	C26H45N7O8S	615.305	NA	PeJP	NA	NA
+PJ009121	GSPPKM 	C26H45N7O8S	615.3051	NA	PeJP	NA	NA
+PJ009122	GVFFF 	C34H41N5O6	615.3057	NA	PeJP	NA	NA
+PJ009123	GQQQR 	C23H41N11O9	615.3089	NA	PeJP	NA	NA
+PJ009124	GPTRW 	C28H41N9O7	615.3129	NA	PeJP	NA	NA
+PJ009125	PVNMR 	C25H45N9O7S	615.3163	NA	PeJP	NA	NA
+PJ009126	PKWW 	C33H41N7O5	615.3169	NA	PeJP	NA	NA
+PJ009127	GNNRR 	C22H41N13O8	615.3201	NA	PeJP	NA	NA
+PJ009128	GGGGGRR 	C22H41N13O8	615.3202	NA	PeJP	NA	NA
+PJ009129	PDKKE 	C26H45N7O10	615.3228	NA	PeJP	NA	NA
+PJ009130	GPMRR 	C24H45N11O6S	615.3275	NA	PeJP	NA	NA
+PJ009131	SPKER 	C25H45N9O9	615.334	NA	PeJP	NA	NA
+PJ009132	GAALER 	C25H45N9O9	615.3341	NA	PeJP	NA	NA
+3320	NA	HHPLL	615.336	celiac toxic	Inhouse_peptide	NA	peptide
+3772	peptide from soybean b-conglycinin (Glycine max)	LLPHH	615.336	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ009133	SPVKW 	C30H45N7O7	615.3381	NA	PeJP	NA	NA
+MJ086063	Chasmanine; 14-O-(3,4-Dimethoxybenzoyl) 	C34H49NO9	615.340732	NA	MeJP	NA	NA
+PJ009134	PLQKM 	C27H49N7O7S	615.3414	NA	PeJP	NA	NA
+PJ009135	GAPLKM 	C27H49N7O7S	615.3415	NA	PeJP	NA	NA
+MJ086064	Hysodricanine A 	C35H45N5O5	615.342069	NA	MeJP	NA	NA
+PJ009136	GVERR 	C24H45N11O8	615.3453	NA	PeJP	NA	NA
+7070	b-Lg fragment (10-14)	LDIQK	615.3469	antioxidative	Inhouse_peptide	NA	peptide
+PJ009137	LLLEE 	C28H49N5O10	615.348	NA	PeJP	NA	NA
+PJ009138	AALRW 	C29H45N9O6	615.3493	NA	PeJP	NA	NA
+PJ009139	PCLKR 	C26H49N9O6S	615.3527	NA	PeJP	NA	NA
+EUR792	Lyso PC 22:5 [M+FA-H]-	C30H52NO7P	615.353022	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR792	Lyso PC 22:5 [M+FA-H]-	C30H52NO7P	615.353022	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR792	Lyso PC 22:5 [M+FA-H]-	C30H52NO7P	615.353022	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR792	Lyso PC 22:5 [M+FA-H]-	C30H52NO7P	615.353022	masses lipides attendues	Inhousejuil11	NA	NA
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR578	LysoPC(22:5)	[M+FA-H]-	615.353025	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+PJ009140	ERRR 	C23H45N13O7	615.3565	NA	PeJP	NA	NA
+PJ009141	VLQKE 	C27H49N7O9	615.3592	NA	PeJP	NA	NA
+PJ009142	VRRW 	C28H45N11O5	615.3605	NA	PeJP	NA	NA
+MJ086065	Miamycin 	C31H53NO11	615.361861	NA	MeJP	NA	NA
+PJ009143	ALKER 	C26H49N9O8	615.3704	NA	PeJP	NA	NA
+PJ009144	GLLKW 	C31H49N7O6	615.3745	NA	PeJP	NA	NA
+PJ009145	PLKKM 	C28H53N7O6S	615.3778	NA	PeJP	NA	NA
+PJ009146	ATLRR 	C25H49N11O7	615.3817	NA	PeJP	NA	NA
+3060	laminin	SIKVAV	615.383	celiac toxic	Inhouse_peptide	NA	peptide
+3651	NA	SIKVAV	615.383	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ009147	VLKKE 	C28H53N7O8	615.3956	NA	PeJP	NA	NA
+PJ009148	SLLKR 	C27H53N9O7	615.4068	NA	PeJP	NA	NA
+PJ009149	GKKKR 	C26H53N11O6	615.4181	NA	PeJP	NA	NA
+FL5FACGA0031	Quercetin 3-(2''-galloylgalactoside)	C28H24O16	616.10643	-	knapsack	NA	NA
+FL5FACGA0032	Quercetin 3-(6''-galloylgalactoside)	C28H24O16	616.10643	53171-28-1	knapsack	NA	NA
+FL5FACGL0055	Quercetin 3-(2''-galloylglucoside)	C28H24O16	616.10643	69624-79-9	knapsack	NA	NA
+FL5FACGL0056	Quercetin 3-(6''-galloylglucoside)	C28H24O16	616.10643	56316-75-7	knapsack	NA	NA
+FL5FACGS0053	Quercetin 4'-(6''-galloylglucoside)	C28H24O16	616.10643	149998-41-4	knapsack	NA	NA
+FL5FACGS0095	Quercetin 7-(6''-galloylglucoside);2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C28H24O16	616.10643	231289-25-1	knapsack	NA	NA
+FL5FAGGS0013	Desmanthin 1	C28H24O16	616.10643	56939-52-7	knapsack	NA	NA
+FL5FAGGS0014	Myricetin 3-(3''-galloylrhamnoside)	C28H24O16	616.10643	143202-36-2	knapsack	NA	NA
+FL5FAGGS0015	Myricetin 3-(4''-galloylrhamnoside)	C28H24O16	616.10643	85541-03-3	knapsack	NA	NA
+MJ086066	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-L-rhamnopyranoside] 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086067	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?3)-?-L-rhamnopyranoside] 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086068	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?4)-?-L-rhamnopyranoside] 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086069	3,3',4',5,7-Pentahydroxyflavone; 4'-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086070	Hyperin; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086071	Hyperin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086072	Isoquercitrin; 2''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086073	Isoquercitrin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086074	Quercimeritrin; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C28H24O16	616.106434	NA	MeJP	NA	NA
+MJ086075	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3'-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-galactopyranoside] 	C28H25O16(+)	616.106434	NA	MeJP	NA	NA
+PJ009150	GCCCCE 	C19H32N6O9S4	616.1114	NA	PeJP	NA	NA
+MJ086076	2-(2,3-Dihydro-2,5,9,10-tetrahydroxy-7-methoxy-2-methyl-1,4-dioxoanthracen-6-yl)-1,5,8-trihydroxy-3-methoxy-6-methyl-9,10-anthraquinone 	C32H24O13	616.12169	NA	MeJP	NA	NA
+MJ086077	6,7-Dihydro-1,1',5',6,8',9,10-heptahydroxy-3,3'-dimethoxy-6,6'-dimethyl-[2,2'-bianthracene]-5,8,9',10'-tetrone 	C32H24O13	616.12169	NA	MeJP	NA	NA
+PJ009151	CCCCW 	C23H32N6O6S4	616.1266	NA	PeJP	NA	NA
+PJ009152	SSCCCD 	C19H32N6O11S3	616.1291	NA	PeJP	NA	NA
+MJ086078	3,5-Di-O-caffeoylquinic acid; 4-O-Succinoyl 	C29H28O15	616.14282	NA	MeJP	NA	NA
+PJ009153	GTCCCM 	C20H36N6O8S4	616.1478	NA	PeJP	NA	NA
+MJ086079	Antibiotic PI 063 	C29H32N2O9S2	616.154922	NA	MeJP	NA	NA
+MJ086080	Kelletinin II 	C33H28O12	616.158076	NA	MeJP	NA	NA
+PJ009154	CCNDY 	C23H32N6O10S2	616.1621	NA	PeJP	NA	NA
+PJ009155	GGCCDY 	C23H32N6O10S2	616.1622	NA	PeJP	NA	NA
+PJ009156	SSSCCM 	C20H36N6O10S3	616.1655	NA	PeJP	NA	NA
+MetaCyc03986	protoheme IX [heme;hemin;ferroprotoporphyrin;protoheme;heme b;hematin;haemin;]	C34H32N4O4FE1	616.177298	14875-96-8	metacyc	NA	NA
+C00032	Heme	C34H32FeN4O4	616.1773	NA	KEGG	NA	NA
+HMDB03178	Heme	C34H32FeN4O4	616.177307	NA	HMDB2010	NA	NA
+HMDB03178	Heme	C34H32FeN4O4	616.17731	http://www.hmdb.ca/metabolites/HMDB03178	HMDB	NA	NA
+HMDB03178	Heme	C34H32FeN4O4	616.17731	HMDB03178	PFEM_hmdb_metabocards_official	NA	NA
+MJ086081	7-Hydroxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?2)]-?-D-glucopyranoside] 	C30H32O14	616.179205	NA	MeJP	NA	NA
+MJ086082	Loganic acid; 7-Epimer, 7-O-[3-[(3-hydroxybenzoyl)oxy]benzoyl] 	C30H32O14	616.179205	NA	MeJP	NA	NA
+MJ086083	Paeoniflorin; 4''-Hydroxy, 6'-(4-hydroxybenzoyl) 	C30H32O14	616.179205	NA	MeJP	NA	NA
+MJ086084	Plumieride; 13-O-(4-Hydroxycinnamoyl) 	C30H32O14	616.179205	NA	MeJP	NA	NA
+PJ009157	CCNMF 	C24H36N6O7S3	616.1808	NA	PeJP	NA	NA
+PJ009158	CNDEH 	C22H32N8O11S	616.1911	NA	PeJP	NA	NA
+PJ009159	GGCDEH 	C22H32N8O11S	616.1912	NA	PeJP	NA	NA
+MJ086085	6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 3?,4?-Epoxide, 2,9,12,14-tetra-Ac 	C28H37ClO13	616.192268	NA	MeJP	NA	NA
+MJ086086	3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran, 3'''-O-?-D-Glucopyranoside 	C34H32O11	616.194461	NA	MeJP	NA	NA
+MJ086087	3-(3,5-Dihydroxyphenyl)-5-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-2-(4-hydroxyphenyl)benzofuran, 3''-O-?-D-Glucopyranoside 	C34H32O11	616.194461	NA	MeJP	NA	NA
+MJ086088	Pallidol; 3-O-?-D-Glucopyranoside 	C34H32O11	616.194461	NA	MeJP	NA	NA
+MJ086089	?-[[1-Butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-chlorophenyl]-1H-pyrazol-4-yl]methylene]-2,3-dihydro-5-methoxy-6-benzofuranpropanoic acid 	C34H33ClN2O7	616.197629	NA	MeJP	NA	NA
+MJ086090	Polyoxin A 	C23H32N6O14	616.197649	NA	MeJP	NA	NA
+PJ009160	SCNMY 	C24H36N6O9S2	616.1985	NA	PeJP	NA	NA
+MJ086091	Doliculide 	C27H41IN2O6	616.20093	NA	MeJP	NA	NA
+MJ086092	Isoquinocycline A; 1''-Ketone 	C33H32N2O10	616.205695	NA	MeJP	NA	NA
+PJ009161	GCDHW 	C26H32N8O8S	616.2064	NA	PeJP	NA	NA
+PJ009162	GSSDDH 	C22H32N8O13	616.2089	NA	PeJP	NA	NA
+MJ086093	Dimoracin 	C38H32O8	616.209718	NA	MeJP	NA	NA
+PJ009163	GPTCCH 	C23H36N8O8S2	616.2098	NA	PeJP	NA	NA
+PJ009164	GSSTCY 	C24H36N6O11S	616.2163	NA	PeJP	NA	NA
+MJ086094	Daphnine 	C37H32N2O7	616.220951	NA	MeJP	NA	NA
+PJ009165	SNEMH 	C23H36N8O10S	616.2275	NA	PeJP	NA	NA
+PJ009166	SCNFF 	C28H36N6O8S	616.2315	NA	PeJP	NA	NA
+PJ009167	PPCDW 	C28H36N6O8S	616.2316	NA	PeJP	NA	NA
+PJ009168	SSSSSY 	C24H36N6O13	616.234	NA	PeJP	NA	NA
+PJ009169	PNEEE 	C24H36N6O13	616.2341	NA	PeJP	NA	NA
+PJ009170	TCCKY 	C25H40N6O8S2	616.2349	NA	PeJP	NA	NA
+MJ086095	Laciniatoside VI 	C28H40O15	616.23672	NA	MeJP	NA	NA
+MJ086096	Loasafolioside 	C28H40O15	616.23672	NA	MeJP	NA	NA
+PJ009171	SCDHR 	C22H36N10O9S	616.2388	NA	PeJP	NA	NA
+PJ009172	GSMHW 	C27H36N8O7S	616.2428	NA	PeJP	NA	NA
+PJ009173	PDDDR 	C23H36N8O12	616.2453	NA	PeJP	NA	NA
+PJ009174	AQMMH 	C24H40N8O7S2	616.2462	NA	PeJP	NA	NA
+PJ009175	GPEEW 	C28H36N6O10	616.2493	NA	PeJP	NA	NA
+MJ086097	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 9-Cinnamoyl, 1-(acetoxyacetyl), 2,6-di-Ac 	C32H40O12	616.251976	NA	MeJP	NA	NA
+MJ086098	Azadirachtanin; 14?,15?-Epoxide 	C32H40O12	616.251976	NA	MeJP	NA	NA
+MJ086099	Javanicin D 	C32H40O12	616.251976	NA	MeJP	NA	NA
+MJ086100	Nomilinic acid; Lactone, 7-deoxo, 7?,11?-diacetoxy 	C32H40O12	616.251976	NA	MeJP	NA	NA
+MJ086101	Tyledoside C 	C32H40O12	616.251976	NA	MeJP	NA	NA
+PJ009176	GSPPEM 	C25H40N6O10S	616.2527	NA	PeJP	NA	NA
+MJ086102	Ascomycete A9738 Cyclopeptide 	C33H36N4O8	616.253314	NA	MeJP	NA	NA
+C18152	3-Vinylbacteriochlorophyllide a	C35H36MgN4O5	616.2536	NA	KEGG	NA	NA
+MJ086103	Chlorophyllide 	C35H36MgN4O5	616.253612	NA	MeJP	NA	NA
+PJ009177	NNNQQ 	C22H36N10O11	616.2565	NA	PeJP	NA	NA
+PJ009178	GGGGGGAAN 	C22H36N10O11	616.2566	NA	PeJP	NA	NA
+MJ086104	Urabaine; 3,3'-Dimethoxy 	C38H36N2O6	616.257336	NA	MeJP	NA	NA
+PJ009179	ACMHR 	C23H40N10O6S2	616.2574	NA	PeJP	NA	NA
+PJ009180	SSTHW 	C27H36N8O9	616.2605	NA	PeJP	NA	NA
+PJ009181	GGSPNW 	C27H36N8O9	616.2606	NA	PeJP	NA	NA
+PJ009182	SDKMH 	C24H40N8O9S	616.2639	NA	PeJP	NA	NA
+PJ009183	PEWW 	C32H36N6O7	616.2646	NA	PeJP	NA	NA
+PJ009184	SPPMW 	C29H40N6O7S	616.2679	NA	PeJP	NA	NA
+PJ009185	GPPPCF 	C29H40N6O7S	616.268	NA	PeJP	NA	NA
+PJ009186	SSPPTE 	C25H40N6O12	616.2704	NA	PeJP	NA	NA
+PJ009187	PDKEE 	C25H40N6O12	616.2705	NA	PeJP	NA	NA
+PJ009188	AAPPMM 	C26H44N6O7S2	616.2713	NA	PeJP	NA	NA
+MJ086105	Cycloartane-3,23,28-triol, 24,25-Didehydro, 23-ketone, 3,28-disulfate 	C30H48O9S2	616.273974	NA	MeJP	NA	NA
+PJ009189	SSMHR 	C23H40N10O8S	616.2751	NA	PeJP	NA	NA
+PJ009190	GGPCQR 	C23H40N10O8S	616.2752	NA	PeJP	NA	NA
+PJ009191	QHFW 	C31H36N8O6	616.2758	NA	PeJP	NA	NA
+MJ086106	Vincamajine; 10-Methoxy, O-(3,4,5-trimethoxycinnamoyl) 	C35H40N2O8	616.278466	NA	MeJP	NA	NA
+MJ086107	Inosamycin C 	C23H44N4O15	616.280316	NA	MeJP	NA	NA
+MJ086108	Inosamycin D 	C23H44N4O15	616.280316	NA	MeJP	NA	NA
+MJ086109	Paromomycin; 5'''-Epimer, 6'''-deamino, 6'''-hydroxy 	C23H44N4O15	616.280316	NA	MeJP	NA	NA
+MJ086110	Paromomycin; 6'''-Deamino, 6'''-hydroxy 	C23H44N4O15	616.280316	NA	MeJP	NA	NA
+PJ009192	SPEER 	C24H40N8O11	616.2817	NA	PeJP	NA	NA
+PJ009193	AKMMH 	C25H44N8O6S2	616.2825	NA	PeJP	NA	NA
+PJ009194	SPVEW 	C29H40N6O9	616.2857	NA	PeJP	NA	NA
+MJ086111	5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 3-Benzoyl, 7,9,11-tri-Ac 	C33H44O11	616.288362	NA	MeJP	NA	NA
+MJ086112	Amoorastatone; 12?-Hydroxy, 29-(2-methylbutanoyl) 	C33H44O11	616.288362	NA	MeJP	NA	NA
+MJ086113	Antibiotic YM 47524 	C33H44O11	616.288362	NA	MeJP	NA	NA
+MJ086114	Azadirachtanin; 14?,15?-Epoxide, 12,29-di-de-Ac, 29-(2-methylbutanoyl) 	C33H44O11	616.288362	NA	MeJP	NA	NA
+MJ086115	Azecin 4 	C33H44O11	616.288362	NA	MeJP	NA	NA
+MJ086116	Trichilin B; 12-Deoxy, 2-O-de-Ac 	C33H44O11	616.288362	NA	MeJP	NA	NA
+MJ086117	Trichilin B; 12-Deoxy, 3-O-de-Ac 	C33H44O11	616.288362	NA	MeJP	NA	NA
+PJ009195	PLQEM 	C26H44N6O9S	616.2891	NA	PeJP	NA	NA
+PJ009196	GQQER 	C23H40N10O10	616.2929	NA	PeJP	NA	NA
+PJ009197	GVQQW 	C28H40N8O8	616.2969	NA	PeJP	NA	NA
+MJ086118	Potanisine C; 18-O-(2-Aminobenzoyl) 	C32H44N2O10	616.299595	NA	MeJP	NA	NA
+MJ086119	Ranaconine; 10?-Hydroxy, O4-(2-acetamidobenzoyl) 	C32H44N2O10	616.299595	NA	MeJP	NA	NA
+PJ009198	PVDMR 	C25H44N8O8S	616.3003	NA	PeJP	NA	NA
+PJ009199	APPFW 	C33H40N6O6	616.301	NA	PeJP	NA	NA
+MJ086120	12-Hydroxyvilasinin; 1-Cinnamoyl, 12-Ac 	C37H44O8	616.303618	NA	MeJP	NA	NA
+MJ086121	12-Hydroxyvilasinin; 12-Cinnamoyl, 1-Ac 	C37H44O8	616.303618	NA	MeJP	NA	NA
+MJ086122	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-benzoyl 	C37H44O8	616.303618	NA	MeJP	NA	NA
+PJ009200	GNDRR 	C22H40N12O9	616.3042	NA	PeJP	NA	NA
+PJ009201	APLMW 	C30H44N6O6S	616.3043	NA	PeJP	NA	NA
+MJ086123	Caracurine V; Nb,Nb'-Dioxide 	C38H40N4O4	616.304955	NA	MeJP	NA	NA
+PJ009202	VLQEE 	C26H44N6O11	616.3068	NA	PeJP	NA	NA
+MJ086124	Petuniasterone A; 17?-Hydroxy, 7-Ac 	C34H48O8S	616.306989	NA	MeJP	NA	NA
+MJ086125	Petuniasterone P1; 24-Deacetyl, 24-(methylthiocarbonyl)acetyl 	C34H48O8S	616.306989	NA	MeJP	NA	NA
+MJ086126	Petuniasterone P1; 24-Deacetyl, 25-(methylthiocarbonyl)acetyl 	C34H48O8S	616.306989	NA	MeJP	NA	NA
+MJ086127	Petuniasterone Q 	C34H48O8S	616.306989	NA	MeJP	NA	NA
+PJ009203	QQRW 	C27H40N10O7	616.3082	NA	PeJP	NA	NA
+PJ009204	PCNKR 	C24H44N10O7S	616.3115	NA	PeJP	NA	NA
+PJ009205	GGPCKR 	C24H44N10O7S	616.3116	NA	PeJP	NA	NA
+PJ009206	KHFW 	C32H40N8O5	616.3122	NA	PeJP	NA	NA
+PJ009207	ALEER 	C25H44N8O10	616.3181	NA	PeJP	NA	NA
+PJ009208	APHHR 	C26H40N12O6	616.3194	NA	PeJP	NA	NA
+PJ009209	GLLEW 	C30H44N6O8	616.3221	NA	PeJP	NA	NA
+MJ086128	1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 1-Ac, Me ester 	C34H48O10	616.324747	NA	MeJP	NA	NA
+MJ086129	14,20-Epoxy-3-hydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H48O10	616.324747	NA	MeJP	NA	NA
+MJ086130	7,27-Dihydroxy-1-oxowitha-2,5,24-trienolide, 27-O-?-D-Glucopyranoside 	C34H48O10	616.324747	NA	MeJP	NA	NA
+MJ086131	Daturametelin C; O27-De-Me, 27-O-?-D-glucopyranoside 	C34H48O10	616.324747	NA	MeJP	NA	NA
+MJ086132	Daturametelin D; O27-De-Me, 27-O-?-D-glucopyranoside 	C34H48O10	616.324747	NA	MeJP	NA	NA
+MJ086133	Sordaricin; O-[2-Methyl-2Z,4E-hexadienoyl-(?3)-4-O-methyl-?-D-altropyranoside] 	C34H48O10	616.324747	NA	MeJP	NA	NA
+PJ009210	PLKEM 	C27H48N6O8S	616.3255	NA	PeJP	NA	NA
+MJ086134	Chondramide A; Demethoxy 	C35H44N4O6	616.326085	NA	MeJP	NA	NA
+PJ009211	GQKER 	C24H44N10O9	616.3293	NA	PeJP	NA	NA
+MJ086135	Benzoquinonium(2+); Dichloride 	C34H50Cl2N4O2	616.331082	NA	MeJP	NA	NA
+PJ009212	GVQKW 	C29H44N8O7	616.3333	NA	PeJP	NA	NA
+PJ009213	PTLMR 	C26H48N8O7S	616.3367	NA	PeJP	NA	NA
+PJ009214	LLWW 	C34H44N6O5	616.3373	NA	PeJP	NA	NA
+MJ086136	N-(Cyclohexylcarbonyl)glycyl-L-alanyl-D-tryptophyl-N,N-dimethyl-L-phenylalaninamide 	C34H44N6O5	616.337318	NA	MeJP	NA	NA
+PJ009215	GTQRR 	C23H44N12O8	616.3405	NA	PeJP	NA	NA
+MJ086137	Vobparicine; N4-Oxide 	C39H44N4O3	616.341341	NA	MeJP	NA	NA
+PJ009216	VLKEE 	C27H48N6O10	616.3432	NA	PeJP	NA	NA
+PJ009217	QKRW 	C28H44N10O6	616.3446	NA	PeJP	NA	NA
+MJ086138	8(17),13-Labdadiene-3,15,18-triol, 15-O-[?-L-Arabinofuranosyl(1?6)-?-D-glucopyranoside] 	C31H52O12	616.345877	NA	MeJP	NA	NA
+MJ086139	Antibiotic SF 1540A 	C34H50NO9	616.348557	NA	MeJP	NA	NA
+PJ009218	SLLER 	C26H48N8O9	616.3544	NA	PeJP	NA	NA
+PJ009219	VTLER 	C26H48N8O9	616.3545	NA	PeJP	NA	NA
+PJ009220	SVLLW 	C31H48N6O7	616.3585	NA	PeJP	NA	NA
+C11972	Avermectin A2a aglycone	C35H52O9	616.3611	NA	KEGG	NA	NA
+MJ086140	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-?-D-Xylopyranoside 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086141	24,25-Epoxy-3,11-dihydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086142	24,25-Epoxy-3,11-dihydroxycycloart-7-ene-16,23-dione, 3-O-?-L-Arabinopyranoside 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086143	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086144	Amphidinolide F 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086145	Milbemycin IV; 6,23?,27-Trihydroxy, O5-Me 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086146	Pfaffic acid; 28-O-?-D-Glucuronopyranosyl ester 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086147	Pfaffic acid; 3-O-?-D-Glucuronopyranoside 	C35H52O9	616.361133	NA	MeJP	NA	NA
+MJ086148	Resiniferonol; 5?-Hydroxy, 6?,7?-epoxide, 14-(2E,4E-pentadecadienoyl) 	C35H52O9	616.361133	NA	MeJP	NA	NA
+PJ009221	LLLQM 	C28H52N6O7S	616.3618	NA	PeJP	NA	NA
+PJ009222	GALLLM 	C28H52N6O7S	616.3619	NA	PeJP	NA	NA
+PJ009223	GKKER 	C25H48N10O8	616.3657	NA	PeJP	NA	NA
+MJ086149	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Lysine analogue 	C30H48N8O6	616.369681	NA	MeJP	NA	NA
+PJ009224	GVKKW 	C30H48N8O6	616.3697	NA	PeJP	NA	NA
+PJ009225	VVLMR 	C27H52N8O6S	616.3731	NA	PeJP	NA	NA
+MJ086150	2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-(3-Hydroxycinnamoyl)(Z-) 	C39H52O6	616.376389	NA	MeJP	NA	NA
+PJ009226	GTKRR 	C24H48N12O7	616.3769	NA	PeJP	NA	NA
+C09085	Calebassone	C40H48N4O2	616.3777	NA	KEGG	NA	NA
+C09242	Tabernamine	C40H48N4O2	616.3777	NA	KEGG	NA	NA
+MJ086151	Capuvosidine 	C40H48N4O2	616.377726	NA	MeJP	NA	NA
+MJ086152	Guillauminiine 	C40H48N4O2	616.377726	NA	MeJP	NA	NA
+MJ086153	Kopsoffinol; Deoxy 	C40H48N4O2	616.377726	NA	MeJP	NA	NA
+MJ086154	Paucivenine 	C40H48N4O2	616.377726	NA	MeJP	NA	NA
+MJ086155	Pleiomutine; N-De-Me 	C40H48N4O2	616.377726	NA	MeJP	NA	NA
+MJ086156	Tabernamine 	C40H48N4O2	616.377726	NA	MeJP	NA	NA
+PJ009227	GTTLLL 	C28H52N6O9	616.3796	NA	PeJP	NA	NA
+PJ009228	KKRW 	C29H48N10O5	616.3809	NA	PeJP	NA	NA
+MJ086157	Cholestane-3,4,6,8,15,16,26-heptol, 26-O-?-D-Xylopyranoside 	C32H56O11	616.382262	NA	MeJP	NA	NA
+PJ009229	VDKKK 	C27H52N8O8	616.3908	NA	PeJP	NA	NA
+PJ009230	PLLKF 	C32H52N6O6	616.3949	NA	PeJP	NA	NA
+C05151	12-O-Tetradecanoylphorbol 13-acetate	C36H56O8	616.3975	NA	KEGG	NA	NA
+C05152	Salfredin	C36H56O8	616.3975	NA	KEGG	NA	NA
+MJ086158	3-Hydroxy-9(11),12-oleanadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O8	616.397518	NA	MeJP	NA	NA
+MJ086159	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Tetradecanoyl, 13-Ac 	C36H56O8	616.397518	NA	MeJP	NA	NA
+MJ086160	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Hexadecanoyl, 8-(2-methylbutanoyl) 	C36H56O8	616.397518	NA	MeJP	NA	NA
+PJ009231	LLLKM 	C29H56N6O6S	616.3982	NA	PeJP	NA	NA
+PJ009232	SVKKR 	C26H52N10O7	616.4021	NA	PeJP	NA	NA
+MJ086161	14-Hydroxy-8(17),12-labdadien-16,15-olide, 14-[15-Oxo-8(17),11,13-labdatrien-16-oyl] ester 	C40H56O5	616.412774	NA	MeJP	NA	NA
+MJ086162	Cryptomeria acetal B 	C40H56O5	616.412774	NA	MeJP	NA	NA
+MJ086163	Fucoxanthinol 	C40H56O5	616.412774	NA	MeJP	NA	NA
+MJ086164	Isofucoxanthinol 	C40H56O5	616.412774	NA	MeJP	NA	NA
+MJ086165	Siphonaxanthin; 6'-Hydroxy 	C40H56O5	616.412774	NA	MeJP	NA	NA
+MJ086166	Vaucheriaxanthin 	C40H56O5	616.412774	NA	MeJP	NA	NA
+MJ086167	Nonoxinol 9 	C33H60O10	616.418648	NA	MeJP	NA	NA
+PJ009233	TLKKK 	C28H56N8O7	616.4272	NA	PeJP	NA	NA
+MJ086168	14-Serratene-3,21-diol, 21-Ac, 3-O-?-L-arabinopyranoside 	C37H60O7	616.433904	NA	MeJP	NA	NA
+MJ086169	Lanost-8,24-diene-3,21-diol; 3?-form, 3-Ac, 21-O-?-D-xylopyranoside 	C37H60O7	616.433904	NA	MeJP	NA	NA
+MJ086170	24-Methylenecycloartan-3-ol, 3-(4-Hydroxy-3-methoxycinnamoyl) 	C41H60O4	616.44916	NA	MeJP	NA	NA
+MJ086171	1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Hexadecanoyl, 18-Ac 	C38H64O6	616.470289	NA	MeJP	NA	NA
+MJ086172	Bacchalatifolin 	C38H64O6	616.470289	NA	MeJP	NA	NA
+MJ086173	C19-Obtusilactone dimer 	C38H64O6	616.470289	NA	MeJP	NA	NA
+MJ086174	2,27-Diamino-26-hydroxy-11-octacosanone; O-?-D-Glucopyranoside 	C34H68N2O7	616.502652	NA	MeJP	NA	NA
+HMDB05208	DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C39H68O5	616.50665	http://www.hmdb.ca/metabolites/HMDB05208	HMDB	NA	NA
+HMDB05236	DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)	C39H68O5	616.50665	http://www.hmdb.ca/metabolites/HMDB05236	HMDB	NA	NA
+HMDB05208	DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C39H68O5	616.50665	HMDB05208	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05236	DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)	C39H68O5	616.50665	HMDB05236	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07031	DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07112	DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07113	DG(16:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07139	DG(16:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07140	DG(16:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07164	DG(18:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07191	DG(18:1(11Z)/18:3(6Z,9Z,12Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07192	DG(18:1(11Z)/18:3(9Z,12Z,15Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07220	DG(18:1(9Z)/18:3(6Z,9Z,12Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07221	DG(18:1(9Z)/18:3(9Z,12Z,15Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07248	DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07275	DG(18:3(6Z,9Z,12Z)/18:1(11Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07276	DG(18:3(6Z,9Z,12Z)/18:1(9Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07304	DG(18:3(9Z,12Z,15Z)/18:1(11Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07305	DG(18:3(9Z,12Z,15Z)/18:1(9Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07332	DG(18:4(6Z,9Z,12Z,15Z)/18:0/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07447	DG(20:3(5Z,8Z,11Z)/16:1(9Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07476	DG(20:3(8Z,11Z,14Z)/16:1(9Z)/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07504	DG(20:4(5Z,8Z,11Z,14Z)/16:0/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07533	DG(20:4(8Z,11Z,14Z,17Z)/16:0/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+HMDB07675	DG(22:4(7Z,10Z,13Z,16Z)/14:0/0:0)	C39H68O5	616.506653	NA	HMDB2010	NA	NA
+MJ086175	Amiodarone; N-De-Et 	C23H25I2NO3	616.99238	NA	MeJP	NA	NA
+MJ086176	Trityrosine; 5-Bromo 	C27H28BrN3O9	617.100892	NA	MeJP	NA	NA
+FL7AAGGA0006	Delphinidin 3-(2''-galloylgalactoside)	C28H25O16	617.11425	142609-11-8	knapsack	NA	NA
+FL7AAGGS0006	Delphinidin 3'-O-(2''-O-galloyl-beta-galactopyranoside)	C28H25O16	617.11425	740786-46-3	knapsack	NA	NA
+PJ009234	CCDDY 	C23H31N5O11S2	617.1462	NA	PeJP	NA	NA
+PJ009235	CCMMM 	C21H39N5O6S5	617.1504	NA	PeJP	NA	NA
+PJ009236	CCDMF 	C24H35N5O8S3	617.1648	NA	PeJP	NA	NA
+PJ009237	CDDEH 	C22H31N7O12S	617.1752	NA	PeJP	NA	NA
+PJ009238	SCDMY 	C24H35N5O10S2	617.1825	NA	PeJP	NA	NA
+PJ009239	TCCEY 	C24H35N5O10S2	617.1826	NA	PeJP	NA	NA
+PJ009240	ACMMY 	C25H39N5O7S3	617.2012	NA	PeJP	NA	NA
+PJ009241	CNNMH 	C22H35N9O8S2	617.205	NA	PeJP	NA	NA
+PJ009242	SDEMH 	C23H35N7O11S	617.2115	NA	PeJP	NA	NA
+PJ009243	TDDMH 	C23H35N7O11S	617.2116	NA	PeJP	NA	NA
+PJ009244	PCMMH 	C24H39N7O6S3	617.2124	NA	PeJP	NA	NA
+PJ009245	GCEFY 	C28H35N5O9S	617.2156	NA	PeJP	NA	NA
+PJ009246	PDEEE 	C24H35N5O14	617.2181	NA	PeJP	NA	NA
+PJ009247	SSMMY 	C25H39N5O9S2	617.2189	NA	PeJP	NA	NA
+PJ009248	GSSCQH 	C22H35N9O10S	617.2228	NA	PeJP	NA	NA
+PJ009249	PCDHF 	C27H35N7O8S	617.2268	NA	PeJP	NA	NA
+PJ009250	GSPNDE 	C23H35N7O13	617.2293	NA	PeJP	NA	NA
+MJ086177	5,6-Didehydrocalotropin 3'-thiazolidinone, S-Oxide 	C31H39NO10S	617.229467	NA	MeJP	NA	NA
+MJ086178	Labriformine 	C31H39NO10S	617.229467	NA	MeJP	NA	NA
+MJ086179	Uscharin; 5'-Epimer, 3'-oxo, 5,6-didehydro, 3',4'-dihydro, S-oxide 	C31H39NO10S	617.229467	NA	MeJP	NA	NA
+C08871	Labriformin	C31H39NO10S	617.2295	NA	KEGG	NA	NA
+PJ009251	AEMMH 	C24H39N7O8S2	617.2302	NA	PeJP	NA	NA
+PJ009252	CFYW 	C32H35N5O6S	617.2308	NA	PeJP	NA	NA
+PJ009253	GSEYY 	C28H35N5O11	617.2333	NA	PeJP	NA	NA
+PJ009254	ACMFF 	C29H39N5O6S2	617.2342	NA	PeJP	NA	NA
+PJ009255	SSSSNH 	C22H35N9O12	617.2405	NA	PeJP	NA	NA
+PJ009256	GGGGNQE 	C22H35N9O12	617.2406	NA	PeJP	NA	NA
+PJ009257	CCQKH 	C23H39N9O7S2	617.2414	NA	PeJP	NA	NA
+PJ009258	SPNDW 	C27H35N7O10	617.2446	NA	PeJP	NA	NA
+PJ009259	TTEMH 	C24H39N7O10S	617.2479	NA	PeJP	NA	NA
+PJ009260	SYYW 	C32H35N5O8	617.2486	NA	PeJP	NA	NA
+PJ009261	GMHHH 	C25H35N11O6S	617.2493	NA	PeJP	NA	NA
+PJ009262	AAMYY 	C29H39N5O8S	617.2519	NA	PeJP	NA	NA
+PJ009263	GCLYY 	C29H39N5O8S	617.252	NA	PeJP	NA	NA
+PJ009264	GNNQW 	C26H35N9O9	617.2558	NA	PeJP	NA	NA
+PJ009265	PCNER 	C23H39N9O9S	617.2592	NA	PeJP	NA	NA
+PJ009266	EHFW 	C31H35N7O7	617.2598	NA	PeJP	NA	NA
+PJ009267	GPQMW 	C28H39N7O7S	617.2632	NA	PeJP	NA	NA
+PJ009268	VNQEE 	C24H39N7O12	617.2657	NA	PeJP	NA	NA
+PJ009269	SLMMH 	C25H43N7O7S2	617.2666	NA	PeJP	NA	NA
+PJ009270	STHHH 	C25H35N11O8	617.267	NA	PeJP	NA	NA
+PJ009271	ATTYY 	C29H39N5O10	617.2697	NA	PeJP	NA	NA
+PJ009272	PLEEM 	C26H43N5O10S	617.2731	NA	PeJP	NA	NA
+PJ009273	GPCRW 	C27H39N9O6S	617.2744	NA	PeJP	NA	NA
+PJ009274	GQEER 	C23H39N9O11	617.2769	NA	PeJP	NA	NA
+PJ009275	GGGGGADK 	C23H39N9O11	617.277	NA	PeJP	NA	NA
+PJ009276	CCKKH 	C24H43N9O6S2	617.2778	NA	PeJP	NA	NA
+PJ009277	AVNEW 	C28H39N7O9	617.2809	NA	PeJP	NA	NA
+PJ009278	GVQEW 	C28H39N7O9	617.281	NA	PeJP	NA	NA
+MJ086180	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(2S-methylbutanoyl), 2,6,14-tri-Ac 	C32H43NO11	617.283611	NA	MeJP	NA	NA
+MJ086181	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, 14-benzoyl, 8-Ac 	C32H43NO11	617.283611	NA	MeJP	NA	NA
+PJ009279	PNKEM 	C25H43N7O9S	617.2843	NA	PeJP	NA	NA
+PJ009280	AAFFY 	C33H39N5O7	617.285	NA	PeJP	NA	NA
+PJ009281	GDDRR 	C22H39N11O10	617.2882	NA	PeJP	NA	NA
+PJ009282	VLEEE 	C26H43N5O12	617.2908	NA	PeJP	NA	NA
+MJ086182	Penitrem A; 15-Deoxy 	C37H44ClNO5	617.290801	NA	MeJP	NA	NA
+PJ009283	LLDEE 	C26H43N5O12	617.2909	NA	PeJP	NA	NA
+PJ009284	QERW 	C27H39N9O8	617.2922	NA	PeJP	NA	NA
+PJ009285	SPQMR 	C24H43N9O8S	617.2955	NA	PeJP	NA	NA
+PJ009286	GGPTMR 	C24H43N9O8S	617.2956	NA	PeJP	NA	NA
+PJ009287	VQWW 	C32H39N7O6	617.2962	NA	PeJP	NA	NA
+MJ086183	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-(3-Pyridinecarbonyl), 20-cinnamoyl 	C36H43NO8	617.298867	NA	MeJP	NA	NA
+MJ086184	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Pyridinecarbonyl), 12-cinnamoyl 	C36H43NO8	617.298867	NA	MeJP	NA	NA
+PJ009288	GPKMW 	C29H43N7O6S	617.2996	NA	PeJP	NA	NA
+PJ009289	VNKEE 	C25H43N7O11	617.3021	NA	PeJP	NA	NA
+3864	NA	PKNYP	617.3039	neuropeptide	Inhouse_peptide	NA	peptide
+PJ009290	PPLEY 	C30H43N5O9	617.3061	NA	PeJP	NA	NA
+PJ009291	SPCRR 	C23H43N11O7S	617.3068	NA	PeJP	NA	NA
+PJ009292	ARWW 	C31H39N9O5	617.3074	NA	PeJP	NA	NA
+PJ009293	GKEER 	C24H43N9O10	617.3133	NA	PeJP	NA	NA
+PJ009294	GVKEW 	C29H43N7O8	617.3173	NA	PeJP	NA	NA
+PJ009295	GGGAPLF 	C29H43N7O8	617.3174	NA	PeJP	NA	NA
+MJ086185	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O8, O16,O18-Penta-Me, N-Et, 14-benzoyl 	C33H47NO10	617.319996	NA	MeJP	NA	NA
+MJ086186	Yunaconitine; O-De-Ac 	C33H47NO10	617.319996	NA	MeJP	NA	NA
+PJ009296	PDKKM 	C26H47N7O8S	617.3207	NA	PeJP	NA	NA
+PJ009297	GTERR 	C23H43N11O9	617.3245	NA	PeJP	NA	NA
+PJ009298	GGSNKR 	C23H43N11O9	617.3246	NA	PeJP	NA	NA
+4009	LTD 1	EQLTK	617.325	haemolytic	Inhouse_peptide	NA	peptide
+PJ009299	KERW 	C28H43N9O7	617.3286	NA	PeJP	NA	NA
+PJ009300	SPKMR 	C25H47N9O7S	617.3319	NA	PeJP	NA	NA
+PJ009301	GAALMR 	C25H47N9O7S	617.332	NA	PeJP	NA	NA
+PJ009302	VKWW 	C33H43N7O5	617.3326	NA	PeJP	NA	NA
+MJ086187	Penitremone C; 23,24-Epoxide, 15-hydroxy 	C37H47NO7	617.335252	NA	MeJP	NA	NA
+MJ086188	Shearinine C 	C37H47NO7	617.335252	NA	MeJP	NA	NA
+PJ009303	VDKKE 	C26H47N7O10	617.3385	NA	PeJP	NA	NA
+PJ009304	TRRW 	C27H43N11O6	617.3398	NA	PeJP	NA	NA
+PJ009305	PLLEF 	C31H47N5O8	617.3425	NA	PeJP	NA	NA
+PJ009306	GVMRR 	C24H47N11O6S	617.3432	NA	PeJP	NA	NA
+3359	NA	KVLAGM	617.3444	celiac toxic	Inhouse_peptide	NA	peptide
+PJ009307	LLLEM 	C28H51N5O8S	617.3459	NA	PeJP	NA	NA
+PJ009308	SVKER 	C25H47N9O9	617.3497	NA	PeJP	NA	NA
+PJ009309	ATLKW 	C30H47N7O7	617.3537	NA	PeJP	NA	NA
+PJ009310	MRRR 	C23H47N13O5S	617.3544	NA	PeJP	NA	NA
+PJ009311	VLQKM 	C27H51N7O7S	617.3571	NA	PeJP	NA	NA
+MJ086189	Lasiodine B 	C35H47N5O5	617.357719	NA	MeJP	NA	NA
+MJ086190	Lotusine C 	C35H47N5O5	617.357719	NA	MeJP	NA	NA
+MJ086191	Mauritine B 	C35H47N5O5	617.357719	NA	MeJP	NA	NA
+PJ009312	SSLRR 	C24H47N11O8	617.3609	NA	PeJP	NA	NA
+PJ009313	APKFR 	C29H47N9O6	617.365	NA	PeJP	NA	NA
+MJ086192	Libanomycin B 	C33H51N3O8	617.367615	NA	MeJP	NA	NA
+PJ009314	ALKMR 	C26H51N9O6S	617.3683	NA	PeJP	NA	NA
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_urine	NA	urine
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifiés dans sérum NuGO	HMDB	NA	NA
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	Inhouse_PFEM	NA	NA
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	Inhousejuil11	NA	NA
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_blood	NA	blood
+EUR592	LysoPC(22:4)	[M+FA-H]-	617.368625	identifies dans serum NuGO	PFEM_hmdb_metabocards_official	NA	NA
+EUR787	Lyso PC 22:4 [M+FA-H]-	C30H54NO7P	617.368672	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR787	Lyso PC 22:4 [M+FA-H]-	C30H54NO7P	617.368672	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR787	Lyso PC 22:4 [M+FA-H]-	C30H54NO7P	617.368672	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR787	Lyso PC 22:4 [M+FA-H]-	C30H54NO7P	617.368672	masses lipides attendues	Inhousejuil11	NA	NA
+PJ009315	TLKKE 	C27H51N7O9	617.3748	NA	PeJP	NA	NA
+PJ009316	GSTLLK 	C27H51N7O9	617.3749	NA	PeJP	NA	NA
+PJ009317	PLLLY 	C32H51N5O7	617.3789	NA	PeJP	NA	NA
+PJ009318	TTLKR 	C26H51N9O8	617.3861	NA	PeJP	NA	NA
+PJ009319	PVKKF 	C31H51N7O6	617.3901	NA	PeJP	NA	NA
+MJ086193	16,28-Secosolanida-5,22(28)-diene-3,16-diol, 16-Ac, 3-O-?-D-glucopyranoside 	C35H55NO8	617.392767	NA	MeJP	NA	NA
+PJ009320	VLKKM 	C28H55N7O6S	617.3935	NA	PeJP	NA	NA
+PJ009321	LLLLF 	C33H55N5O6	617.4153	NA	PeJP	NA	NA
+PJ009322	SKKKK 	C27H55N9O7	617.4225	NA	PeJP	NA	NA
+MJ086194	Sulfobacin A; 4,5-Didehydro(E-) 	C34H67NO6S	617.468909	NA	MeJP	NA	NA
+HMDB10700	CerP(d18:1/16:0)	C34H68NO6P	617.478455	NA	HMDB2010	NA	NA
+8111	peptide derived from lecithin-free egg yolk	LMSYMWSTSM	617.7451	MH2+	Inhouse_peptide	NA	peptide
+C17166	Sceptrin	C22H24Br2N10O2	618.045	NA	KEGG	NA	NA
+MJ086195	Ageliferin 	C22H24Br2N10O2	618.045045	NA	MeJP	NA	NA
+MJ086196	Sceptrin 	C22H24Br2N10O2	618.045045	NA	MeJP	NA	NA
+MJ086197	Ascoquinone A 	C30H18O15	618.064569	NA	MeJP	NA	NA
+MJ086198	3,4-Hexahydroxydiphenoyl-proto-quercitol; (S)axial-form, 5-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O17	618.085699	NA	MeJP	NA	NA
+PJ009323	GCCCCM 	C19H34N6O7S5	618.1093	NA	PeJP	NA	NA
+MJ086199	Micacocidins; Fe complex 	C27H36FeN3O4S3	618.121735	NA	MeJP	NA	NA
+FL4DACGS0010	Taxillusin	C28H26O16	618.12208	66656-93-7	knapsack	NA	NA
+MJ086200	3,3',4',5,7-Pentahydroxyflavanone, 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H26O16	618.122084	NA	MeJP	NA	NA
+PJ009324	STCCCC 	C19H34N6O9S4	618.127	NA	PeJP	NA	NA
+MJ086201	Alterporriol B 	C32H26O13	618.13734	NA	MeJP	NA	NA
+MJ086202	Alterporriol C 	C32H26O13	618.13734	NA	MeJP	NA	NA
+MJ086203	5,7-Dihydroxy-4'-methoxy-8-hexosyl-6-pentosylflavone; Mono-Ac 	C29H30O15	618.15847	NA	MeJP	NA	NA
+PJ009325	CCCQY 	C23H34N6O8S3	618.16	NA	PeJP	NA	NA
+PJ009326	GACCCY 	C23H34N6O8S3	618.1601	NA	PeJP	NA	NA
+PJ009327	GPCCCH 	C22H34N8O7S3	618.1713	NA	PeJP	NA	NA
+MJ086204	Cercosporin; 2',2''-Di-Ac 	C33H30O12	618.173726	NA	MeJP	NA	NA
+PJ009328	GSSCCY 	C23H34N6O10S2	618.1778	NA	PeJP	NA	NA
+PJ009329	CNDMH 	C22H34N8O9S2	618.189	NA	PeJP	NA	NA
+PJ009330	GGCDMH 	C22H34N8O9S2	618.1891	NA	PeJP	NA	NA
+MJ086205	Heme 	C34H34FeN4O4	618.192947	NA	MeJP	NA	NA
+PJ009331	CCCKY 	C24H38N6O7S3	618.1964	NA	PeJP	NA	NA
+PJ009332	ACCHW 	C26H34N8O6S2	618.2043	NA	PeJP	NA	NA
+PJ009333	GSSCEH 	C22H34N8O11S	618.2068	NA	PeJP	NA	NA
+MJ086206	Torosaol I 	C34H34O11	618.210111	NA	MeJP	NA	NA
+PJ009334	GCNYY 	C27H34N6O9S	618.2108	NA	PeJP	NA	NA
+PJ009335	GSPDDE 	C23H34N6O14	618.2133	NA	PeJP	NA	NA
+PJ009336	GPPCDM 	C24H38N6O9S2	618.2142	NA	PeJP	NA	NA
+MJ086207	Isoquinocycline A 	C33H34N2O10	618.221345	NA	MeJP	NA	NA
+PJ009337	SSCHW 	C26H34N8O8S	618.2221	NA	PeJP	NA	NA
+PJ009338	SSSSDH 	C22H34N8O13	618.2246	NA	PeJP	NA	NA
+PJ009339	SNMMH 	C23H38N8O8S2	618.2254	NA	PeJP	NA	NA
+PJ009340	SPDDW 	C27H34N6O11	618.2286	NA	PeJP	NA	NA
+MJ086208	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Bis(3-furancarbonyl), 2-butanoyl, 14-Ac 	C31H38O13	618.231241	NA	MeJP	NA	NA
+MJ086209	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 9-O-[4-hydroxy-2-methylenebutanoyl-(?6)-?-D-glucopyranoside] 	C31H38O13	618.231241	NA	MeJP	NA	NA
+PJ009341	PNEEM 	C24H38N6O11S	618.232	NA	PeJP	NA	NA
+PJ009342	GSNNNN 	C21H34N10O12	618.2358	NA	PeJP	NA	NA
+MJ086210	Glycobismine B 	C37H34N2O7	618.236601	NA	MeJP	NA	NA
+MJ086211	Oxofangchirine 	C37H34N2O7	618.236601	NA	MeJP	NA	NA
+MJ086212	Simulanoquinoline 	C37H34N2O7	618.236601	NA	MeJP	NA	NA
+PJ009343	TCCHR 	C22H38N10O7S2	618.2367	NA	PeJP	NA	NA
+PJ009344	GNNEW 	C26H34N8O10	618.2398	NA	PeJP	NA	NA
+PJ009345	PCDER 	C23H38N8O10S	618.2432	NA	PeJP	NA	NA
+MJ086213	Capoamycin 	C35H38O10	618.246497	NA	MeJP	NA	NA
+MJ086214	Javanicin S; 2-Benzoyl 	C35H38O10	618.246497	NA	MeJP	NA	NA
+PJ009346	GPEMW 	C28H38N6O8S	618.2472	NA	PeJP	NA	NA
+PJ009347	VNEEE 	C24H38N6O13	618.2497	NA	PeJP	NA	NA
+PJ009348	GSPPMM 	C25H42N6O8S2	618.2506	NA	PeJP	NA	NA
+PJ009349	PNDHH 	C25H34N10O9	618.2511	NA	PeJP	NA	NA
+PJ009350	NNWW 	C30H34N8O7	618.2551	NA	PeJP	NA	NA
+PJ009351	GQMHF 	C27H38N8O7S	618.2584	NA	PeJP	NA	NA
+PJ009352	GGAMHF 	C27H38N8O7S	618.2585	NA	PeJP	NA	NA
+PJ009353	ADEER 	C23H38N8O12	618.2609	NA	PeJP	NA	NA
+PJ009354	GEEER 	C23H38N8O12	618.261	NA	PeJP	NA	NA
+PJ009355	TCKMH 	C24H42N8O7S2	618.2618	NA	PeJP	NA	NA
+PJ009356	PMWW 	C32H38N6O5S	618.2625	NA	PeJP	NA	NA
+PJ009357	GVEEW 	C28H38N6O10	618.265	NA	PeJP	NA	NA
+C08853	Bryotoxin A	C32H42O12	618.2676	NA	KEGG	NA	NA
+MJ086215	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1-(2-methylpropanoyl), 2,6,14-tri-Ac 	C32H42O12	618.267626	NA	MeJP	NA	NA
+MJ086216	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3,8-[Bis-(3-methyl-2-butenoyl), angeloyl], 10-Ac 	C32H42O12	618.267626	NA	MeJP	NA	NA
+MJ086217	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3-Diangeloyl, 8-(3-methyl-2-butenoyl), 10-Ac 	C32H42O12	618.267626	NA	MeJP	NA	NA
+MJ086218	3,5,11,14-Tetrahydroxy-12,19-dioxobufa-20,22-dienolide, 3-O-(3-O-Acetyl-4,6-dideoxy-?-D-arabino-hexopyranoside) 	C32H42O12	618.267626	NA	MeJP	NA	NA
+MJ086219	5,14,16-Trihydroxy-19-oxobufa-3,20,22-trienolide, 5-O-?-D-Glucopyranoside, 16-Ac 	C32H42O12	618.267626	NA	MeJP	NA	NA
+MJ086220	Meliacarpinin; 11-Methoxy, 1-deoxy, 3-(2-methylpropenoyl) 	C32H42O12	618.267626	NA	MeJP	NA	NA
+MJ086221	Taccalonolide M 	C32H42O12	618.267626	NA	MeJP	NA	NA
+PJ009358	PDKEM 	C25H42N6O10S	618.2683	NA	PeJP	NA	NA
+C16542	APC	C33H38N4O8	618.269	NA	KEGG	NA	NA
+PJ009359	GCHFR 	C26H38N10O6S	618.2697	NA	PeJP	NA	NA
+PJ009360	SNNER 	C22H38N10O11	618.2722	NA	PeJP	NA	NA
+PJ009361	EERW 	C27H38N8O9	618.2762	NA	PeJP	NA	NA
+MJ086222	Thyrsenol A 	C30H51BrO8	618.276731	NA	MeJP	NA	NA
+MJ086223	Nolpitantium(1+) 	C37H45Cl2N2O2(+)	618.277984	NA	MeJP	NA	NA
+PJ009362	SPEMR 	C24H42N8O9S	618.2796	NA	PeJP	NA	NA
+PJ009363	VEWW 	C32H38N6O7	618.2802	NA	PeJP	NA	NA
+PJ009364	SPVMW 	C29H42N6O7S	618.2836	NA	PeJP	NA	NA
+PJ009365	VDKEE 	C25H42N6O12	618.2861	NA	PeJP	NA	NA
+PJ009366	PLQMM 	C26H46N6O7S2	618.287	NA	PeJP	NA	NA
+PJ009367	GSNRW 	C26H38N10O8	618.2874	NA	PeJP	NA	NA
+MJ086224	Cycloartane-3,23,28-triol, 23-Ketone, 3,28-disulfate 	C30H50O9S2	618.289624	NA	MeJP	NA	NA
+PJ009368	GQQMR 	C23H42N10O8S	618.2908	NA	PeJP	NA	NA
+PJ009369	PPCFR 	C28H42N8O6S	618.2948	NA	PeJP	NA	NA
+PJ009370	SVEER 	C24H42N8O11	618.2973	NA	PeJP	NA	NA
+MJ086225	Spiranthesol 	C40H42O6	618.298139	NA	MeJP	NA	NA
+PJ009371	PCLMR 	C25H46N8O6S2	618.2982	NA	PeJP	NA	NA
+PJ009372	SVVEW 	C29H42N6O9	618.3013	NA	PeJP	NA	NA
+MJ086226	Amicetin 	C29H42N6O9	618.301326	NA	MeJP	NA	NA
+PJ009373	ATLEW 	C29H42N6O9	618.3014	NA	PeJP	NA	NA
+PJ009374	GCQRR 	C22H42N12O7S	618.302	NA	PeJP	NA	NA
+PJ009375	GGACRR 	C22H42N12O7S	618.3021	NA	PeJP	NA	NA
+MJ086227	Antibiotic YM 47524; 1'',2''-Dihydro 	C33H46O11	618.304012	NA	MeJP	NA	NA
+PJ009376	VLQEM 	C26H46N6O9S	618.3047	NA	PeJP	NA	NA
+PJ009377	SNDKR 	C23H42N10O10	618.3086	NA	PeJP	NA	NA
+PJ009378	GTQKW 	C28H42N8O8	618.3126	NA	PeJP	NA	NA
+PJ009379	VNQKM 	C25H46N8O8S	618.3159	NA	PeJP	NA	NA
+PJ009380	ALEMR 	C25H46N8O8S	618.316	NA	PeJP	NA	NA
+MJ086228	Cycloamanide A 	C33H42N6O6	618.316583	NA	MeJP	NA	NA
+PJ009381	GPLFW 	C33H42N6O6	618.3166	NA	PeJP	NA	NA
+PJ009382	SSNRR 	C22H42N12O9	618.3198	NA	PeJP	NA	NA
+PJ009383	GLLMW 	C30H46N6O6S	618.32	NA	PeJP	NA	NA
+PJ009384	TLKEE 	C26H46N6O11	618.3225	NA	PeJP	NA	NA
+MJ086229	Petuniasterone A; 1,2-Dihydro, 1-Acetoxy 	C34H50O8S	618.322639	NA	MeJP	NA	NA
+MJ086230	Petuniasterone B; 22-O-[(Methylthio)carbonyl]acetyl 	C34H50O8S	618.322639	NA	MeJP	NA	NA
+PJ009385	PLKMM 	C27H50N6O6S2	618.3233	NA	PeJP	NA	NA
+PJ009386	PTKHH 	C27H42N10O7	618.3238	NA	PeJP	NA	NA
+MJ086231	Dolastatin 18 	C35H46N4O4S	618.323976	NA	MeJP	NA	NA
+C15657	BILA 2185BS	C35H46N4O4S	618.324	NA	KEGG	NA	NA
+2934	myelopeptide	LVCYPQ	618.325	celiac toxic	Inhouse_peptide	NA	peptide
+PJ009387	GQKMR 	C24H46N10O7S	618.3272	NA	PeJP	NA	NA
+MJ086232	Antibiotic 8510-I 	C25H46N8O10	618.333689	NA	MeJP	NA	NA
+MJ086233	Minosaminomycin 	C25H46N8O10	618.333689	NA	MeJP	NA	NA
+C17969	Minosaminomycin	C25H46N8O10	618.3337	NA	KEGG	NA	NA
+PJ009388	TTLER 	C25H46N8O10	618.3337	NA	PeJP	NA	NA
+PJ009389	GLHHR 	C26H42N12O6	618.3351	NA	PeJP	NA	NA
+MJ086234	Bengamide Z; 6-O-(3R,4S,5R-Trihydroxy-2R-methoxy-8-methyl-6-nonenoyl) 	C29H50N2O12	618.336375	NA	MeJP	NA	NA
+PJ009390	STLLW 	C30H46N6O8	618.3377	NA	PeJP	NA	NA
+PJ009391	GCKRR 	C23H46N12O6S	618.3384	NA	PeJP	NA	NA
+PJ009392	VLKEM 	C27H50N6O8S	618.3411	NA	PeJP	NA	NA
+PJ009393	STQKR 	C24H46N10O9	618.3449	NA	PeJP	NA	NA
+PJ009394	GGTTKR 	C24H46N10O9	618.345	NA	PeJP	NA	NA
+MJ086235	Pandaca caducifolia Alkaloid G 	C40H46N2O4	618.345757	NA	MeJP	NA	NA
+PJ009395	GTKKW 	C29H46N8O7	618.349	NA	PeJP	NA	NA
+PJ009396	SLLMR 	C26H50N8O7S	618.3523	NA	PeJP	NA	NA
+PJ009397	GGVKKM 	C26H50N8O7S	618.3524	NA	PeJP	NA	NA
+MJ086236	Alphitexolide 	C38H50O7	618.355653	NA	MeJP	NA	NA
+MJ086237	Tabernamine; 3'-Hydroxy, N4-de-Me 	C39H46N4O3	618.356991	NA	MeJP	NA	NA
+PJ009398	SSSLLL 	C27H50N6O10	618.3589	NA	PeJP	NA	NA
+PJ009399	PPLHR 	C28H46N10O6	618.3602	NA	PeJP	NA	NA
+3523	ACE inhibitor	LYPVK	618.361	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ009400	GKKMR 	C25H50N10O6S	618.3636	NA	PeJP	NA	NA
+PJ009401	SKKKE 	C26H50N8O9	618.3701	NA	PeJP	NA	NA
+MJ086238	Ficus Latex peptide 2 	C31H50N6O7	618.374097	NA	MeJP	NA	NA
+PJ009402	PVLKY 	C31H50N6O7	618.3741	NA	PeJP	NA	NA
+MJ086239	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-?-D-Xylopyranoside 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086240	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-?-L-Arabinopyranoside 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086241	16,23:22,25-Diepoxycycloart-7-ene-3,23,24-triol, 3-O-?-D-Xylopyranoside 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086242	20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione, 6-O-?-D-Xylopyranoside 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086243	3,14,16-Trihydroxycard-20(22)-enolide, 16-O-(3-Methylbutanoyl), 3-O-[2,6-dideoxy-3-O-methyl-lyxo-hexopyranoside] 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086244	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Xylopyranoside 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086245	Antibiotic PF 1032 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086246	Cholest-5-ene-2,3,7,15,18-pentol, 2,7,15,18-Tetra-Ac 	C35H54O9	618.376783	NA	MeJP	NA	NA
+MJ086247	Gentinin 	C35H54O9	618.376783	NA	MeJP	NA	NA
+PJ009403	STKKR 	C25H50N10O8	618.3813	NA	PeJP	NA	NA
+PJ009404	ALLFR 	C30H50N8O6	618.3854	NA	PeJP	NA	NA
+PJ009405	CLKKK 	C27H54N8O6S	618.3887	NA	PeJP	NA	NA
+MJ086248	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-(4-E-Hydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086249	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-(4-Z-Hydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086250	2,3-Dihydroxy-12-ursen-28-oic acid, 2-(4-Hydroxycinnamoyl) (E-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086251	2,3-Dihydroxy-12-ursen-28-oic acid, 2-(4-Hydroxycinnamoyl) (Z-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086252	2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl) (E-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086253	2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl) (Z-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086254	20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(4-hydroxy-E-cinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086255	20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(4-hydroxy-Z-cinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086256	3,24-Dihydroxy-12-ursen-28-oic acid, 24-(4-Hydroxycinnamoyl)(E-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086257	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxycinnamoyl)(E-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086258	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxycinnamoyl)(Z-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086259	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-Benzoyl, 3-Ac 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086260	3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxycinnamoyl)(E-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086261	3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxycinnamoyl)(Z-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086262	3,27-Dihydroxy-12-ursen-30-oic acid, 27-(4-Hydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086263	3,27-Dihydroxy-20(29)-lupen-28-oic acid, 27-O-(4-Hydroxy-E-cinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086264	3,27-Dihydroxy-20(29)-lupen-28-oic acid, 27-O-(4-Hydroxy-Z-cinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086265	3,28-Dihydroxy-12-ursen-27-oic acid, 28-4-Hydroxycinnamoyl ester (E)- 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086266	3,28-Dihydroxy-12-ursen-27-oic acid, 28-4-Hydroxycinnamoyl ester (Z-) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086267	3,30-Dihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086268	3,30-Dihydroxy-12-ursen-28-oic acid, 30-O-(4-Hydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086269	3,9-Dihydroxy-20(29)-lupen-7-one, 3-(3,4-Dihydroxyphenyl-2-propenoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086270	3-Hydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086271	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086272	3-Hydroxy-20(29)-lupen-28-oic acid; 3?-form, 3-O-(3,4-Dihydroxycinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086273	Ceanothanolic acid; 2-O-(4-Hydroxy-E-cinnamoyl) 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086274	Paracentrone; 19-Hexanoyloxy, 3-Ac 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086275	Taiwaniadduct I 	C39H54O6	618.392039	NA	MeJP	NA	NA
+MJ086276	Capuvosidine; Dihydro 	C40H50N4O2	618.393376	NA	MeJP	NA	NA
+MJ086277	Capuvosine; Deoxy 	C40H50N4O2	618.393376	NA	MeJP	NA	NA
+MJ086278	Tabernaebovine 	C40H50N4O2	618.393376	NA	MeJP	NA	NA
+MJ086279	Tabernamine; 19,20-Dihydro 	C40H50N4O2	618.393376	NA	MeJP	NA	NA
+MJ086280	Exophilin A; 3'-Ac 	C32H58O11	618.397912	NA	MeJP	NA	NA
+MJ086281	Fluvirucin B; Fluvirucin B3, 4'-Epimer, 2'-O-?-D-glucopyranoside 	C31H58N2O10	618.409146	NA	MeJP	NA	NA
+PJ009406	VLLKF 	C32H54N6O6	618.4105	NA	PeJP	NA	NA
+MJ086282	11,13(18)-Oleanadiene-1,3,22-triol, 3-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086283	24-Hydroxy-12-oleanen-23-oic acid; 24-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086284	3,13-Dihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-?-D-glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086285	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Arabinopyranoside, Me ester 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086286	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Rhamnopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086287	3,7-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 7-O-?-D-Xylopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086288	3-Hydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086289	3-Hydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086290	3-Hydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086291	34-Ethylhuratoxin; 1,2,22,23,24,25-Hexahydro 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086292	34-Ethylhuratoxin; 15,16,22,23,24,25-Hexahydro 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086293	5,19-Epoxycucurbita-6,23-diene-3,25-diol, 3-O-?-D-Allopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086294	5,19-Epoxycucurbita-6,23-diene-3,25-diol, 3-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086295	Antibiotic CP 101765 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086296	Ergosta-5,24(28)-diene-3,7,16-triol, 3-O-(4-O-Acetyl-?-L-fucopyranoside) 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086297	Ergosta-5,24(28)-diene-3,7,16-triol, 3-O-?-L-Fucopyranoside, 7-Ac 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086298	Hederagenin 3-glycosides; Monoglycosides, 3-O-?-L-Rhamnopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086299	Lanost-8-ene-2,3,24,25-tetrol, 3-Ketone, 2-(3-hydroxy-3-methylglutaroyl) 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086300	Lansiolic acid; 3-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086301	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucopyranoside 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086302	Oleanolic acid glycosyl esters; Monoglycosides, ?-D-Glucopyranosyl ester 	C36H58O8	618.413168	NA	MeJP	NA	NA
+MJ086303	14-Serratene-3,21-diol, 3-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086304	20(29)-Lupen-3-ol, 3-(3,4-Dihydroxy-5-methoxycinnamoyl) 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086305	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086306	3,6-Epoxy-5,5',6,6'-tetrahydro-?,?-carotene-3',5,5',6'-tetrol 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086307	3-Hydroxy-12-ursen-28-oic acid, Ac, 2-methoxybenzyl ester 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086308	3-Hydroxy-12-ursen-28-oic acid, Ac, 4-methoxybenzyl ester 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086309	Latochrome 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086310	Latoxanthin 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086311	Neoflor 	C40H58O5	618.428424	NA	MeJP	NA	NA
+MJ086312	1,3,25,27-Octacosanetetrol, 25-Ketone, 1-O-?-D-glucopyranoside 	C34H66O9	618.470683	NA	MeJP	NA	NA
+MJ086313	1,3,25,27-Octacosanetetrol, 25-Ketone, 1-O-?-D-mannopyranoside 	C34H66O9	618.470683	NA	MeJP	NA	NA
+MJ086314	1,3,25,27-Octacosanetetrol, 3-Ketone, 1-O-?-D-glucopyranoside 	C34H66O9	618.470683	NA	MeJP	NA	NA
+HMDB07059	DG(14:1(9Z)/22:2(13Z,16Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07110	DG(16:0/20:3(5Z,8Z,11Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07111	DG(16:0/20:3(8Z,11Z,14Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07138	DG(16:1(9Z)/20:2(11Z,14Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07162	DG(18:0/18:3(6Z,9Z,12Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07163	DG(18:0/18:3(9Z,12Z,15Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07190	DG(18:1(11Z)/18:2(9Z,12Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07219	DG(18:1(9Z)/18:2(9Z,12Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07246	DG(18:2(9Z,12Z)/18:1(11Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07247	DG(18:2(9Z,12Z)/18:1(9Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07274	DG(18:3(6Z,9Z,12Z)/18:0/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07303	DG(18:3(9Z,12Z,15Z)/18:0/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07418	DG(20:2(11Z,14Z)/16:1(9Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07446	DG(20:3(5Z,8Z,11Z)/16:0/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07475	DG(20:3(8Z,11Z,14Z)/16:0/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB07647	DG(22:2(13Z,16Z)/14:1(9Z)/0:0)	C39H70O5	618.522339	NA	HMDB2010	NA	NA
+HMDB05230	DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]	C39H70O5	618.52234	http://www.hmdb.ca/metabolites/HMDB05230	HMDB	NA	NA
+HMDB05230	DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]	C39H70O5	618.52234	HMDB05230	PFEM_hmdb_metabocards_official	NA	NA
+MJ086315	9-Tetracosenoic acid, Octadecyl ester 	C42H82O2	618.631481	NA	MeJP	NA	NA
+C14007	Cefotetan disodium	C17H15N7O8S4	618.966	NA	KEGG	NA	NA
+C14008	Transferred to D02229	C17H15N7O8S4	618.966	NA	KEGG	NA	NA
+C14009	Transferred to D02230	C17H15N7O8S4	618.966	NA	KEGG	NA	NA
+C00976	GDP-D-mannuronate	C16H23N5O17P2	619.0564	NA	KEGG	NA	NA
+MJ086316	GDP-D-mannuronate 	C16H23N5O17P2	619.056417	NA	MeJP	NA	NA
+MetaCyc03987	GDP-mannuronate [GDP-mannuronic acid;GDP-D-mannuronic acid;GDP-D-mannuronate;]	C16H23N5O17P2	619.056417	NA	metacyc	NA	NA
+MJ086317	1-Methyl-4-[[4-[[[4-[(1-methylpyridinium-4-yl)amino]phenyl]amino]carbonyl]phenyl]amino]quinolinium(2+); Dibromide 	C29H27Br2N5O	619.058235	NA	MeJP	NA	NA
+C06397	ADP-D-glycero-D-manno-heptose	C17H27N5O16P2	619.0928	NA	KEGG	NA	NA
+C06398	ADP-L-glycero-D-manno-heptose	C17H27N5O16P2	619.0928	NA	KEGG	NA	NA
+MetaCyc03988	ADP-L-glycero-D-manno-heptose [2-[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-6-(1,2-dihydroxyethyl)tetrahydropyran-3,4,5-triol;ADP-L-glycero-D-manno-heptose;]	C17H27N5O16P2	619.092803	NA	metacyc	NA	NA
+MetaCyc03989	ADP-D-glycero-D-manno-heptose []	C17H27N5O16P2	619.092803	119-61-9	metacyc	NA	NA
+MJ086318	1-[[5-Chloro-3-(2-chlorophenyl)-1-[(3,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-hydroxy-1H-indol-2-yl]carbonyl]-2-pyrrolidinecarboxamide 	C28H27Cl2N3O7S	619.094676	NA	MeJP	NA	NA
+PJ009407	CCCEY 	C23H33N5O9S3	619.1441	NA	PeJP	NA	NA
+MJ086319	N-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]-4-piperidinyl]-4-quinolinecarboxamide 	C31H24ClF6N3O2	619.146123	NA	MeJP	NA	NA
+PJ009408	CDDMH 	C22H33N7O10S2	619.1731	NA	PeJP	NA	NA
+PJ009409	TCCMY 	C24H37N5O8S3	619.1804	NA	PeJP	NA	NA
+PJ009410	GSCCNH 	C21H33N9O9S2	619.1843	NA	PeJP	NA	NA
+PJ009411	GPCNDD 	C22H33N7O12S	619.1908	NA	PeJP	NA	NA
+PJ009412	GCDYY 	C27H33N5O10S	619.1948	NA	PeJP	NA	NA
+MJ086320	3-Deoxy-?-D-manno-2-octulopyranosonosyl-(2?4)-3-deoxy-?-D-manno-2-octulopyranosonosyl-(2?6)-2-amino-2-deoxy-D-glucose 	C22H37NO19	619.195978	NA	MeJP	NA	NA
+PJ009413	NNDEE 	C22H33N7O14	619.2086	NA	PeJP	NA	NA
+PJ009414	SDMMH 	C23H37N7O9S2	619.2094	NA	PeJP	NA	NA
+PJ009415	GCMFY 	C28H37N5O7S2	619.2135	NA	PeJP	NA	NA
+PJ009416	PDEEM 	C24H37N5O12S	619.216	NA	PeJP	NA	NA
+PJ009417	GSNNND 	C21H33N9O13	619.2198	NA	PeJP	NA	NA
+PJ009418	GNDEW 	C26H33N7O11	619.2238	NA	PeJP	NA	NA
+PJ009419	GSPNDM 	C23H37N7O11S	619.2272	NA	PeJP	NA	NA
+PJ009420	AMMMH 	C24H41N7O6S3	619.2281	NA	PeJP	NA	NA
+PJ009421	SCHHH 	C24H33N11O7S	619.2285	NA	PeJP	NA	NA
+PJ009422	GSMYY 	C28H37N5O9S	619.2312	NA	PeJP	NA	NA
+PJ009423	VDEEE 	C24H37N5O14	619.2337	NA	PeJP	NA	NA
+PJ009424	PDDHH 	C25H33N9O10	619.2351	NA	PeJP	NA	NA
+PJ009425	NNNQM 	C22H37N9O10S	619.2384	NA	PeJP	NA	NA
+PJ009426	GGGGGGQM 	C22H37N9O10S	619.2385	NA	PeJP	NA	NA
+PJ009427	NDWW 	C30H33N7O8	619.2391	NA	PeJP	NA	NA
+MJ086321	Vakognavine 	C34H37NO10	619.241746	NA	MeJP	NA	NA
+PJ009428	SPCQW 	C27H37N7O8S	619.2424	NA	PeJP	NA	NA
+PJ009429	PTCNW 	C27H37N7O8S	619.2425	NA	PeJP	NA	NA
+PJ009430	SQQEE 	C23H37N7O13	619.2449	NA	PeJP	NA	NA
+PJ009431	GGTQEE 	C23H37N7O13	619.245	NA	PeJP	NA	NA
+PJ009432	TTMMH 	C24H41N7O8S2	619.2458	NA	PeJP	NA	NA
+PJ009433	GCFFF 	C32H37N5O6S	619.2465	NA	PeJP	NA	NA
+PJ009434	SSTYY 	C28H37N5O11	619.249	NA	PeJP	NA	NA
+PJ009435	CNNNR 	C21H37N11O9S	619.2497	NA	PeJP	NA	NA
+PJ009436	SNDER 	C22H37N9O12	619.2562	NA	PeJP	NA	NA
+PJ009437	PCNMR 	C23H41N9O7S2	619.2571	NA	PeJP	NA	NA
+PJ009438	MHFW 	C31H37N7O5S	619.2577	NA	PeJP	NA	NA
+PJ009439	GTQEW 	C27H37N7O10	619.2602	NA	PeJP	NA	NA
+7870	peptide from sauce of blue mussel (Mytilus edulis)	FGHPY	619.262	antioxidative	Inhouse_peptide	NA	peptide
+MJ086322	Hordenine; O-[6-O-(4-Hydroxycinnamoyl)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C31H41NO12	619.262875	NA	MeJP	NA	NA
+PJ009440	VNQEM 	C24H41N7O10S	619.2636	NA	PeJP	NA	NA
+PJ009441	QFYY 	C32H37N5O8	619.2642	NA	PeJP	NA	NA
+PJ009442	PPEMF 	C29H41N5O8S	619.2676	NA	PeJP	NA	NA
+PJ009443	TLEEE 	C25H41N5O13	619.2701	NA	PeJP	NA	NA
+PJ009444	PLEMM 	C26H45N5O8S2	619.271	NA	PeJP	NA	NA
+PJ009445	GSDRW 	C26H37N9O9	619.2715	NA	PeJP	NA	NA
+PJ009446	GQEMR 	C23H41N9O9S	619.2748	NA	PeJP	NA	NA
+PJ009447	TQWW 	C31H37N7O7	619.2755	NA	PeJP	NA	NA
+MJ086323	Cardiopidine; O3-Deacyl, O2-(2-methylpropanoyl) 	C35H41NO9	619.278131	NA	MeJP	NA	NA
+MJ086324	Cardiopidine; O3-Deacyl, O3-(2-methylpropanoyl) 	C35H41NO9	619.278131	NA	MeJP	NA	NA
+PJ009448	GVQMW 	C28H41N7O7S	619.2788	NA	PeJP	NA	NA
+PJ009449	GGGLMW 	C28H41N7O7S	619.2789	NA	PeJP	NA	NA
+PJ009450	SQKEE 	C24H41N7O12	619.2813	NA	PeJP	NA	NA
+PJ009451	GGTKEE 	C24H41N7O12	619.2814	NA	PeJP	NA	NA
+PJ009452	PNKMM 	C25H45N7O7S2	619.2822	NA	PeJP	NA	NA
+PJ009453	AQQHH 	C25H37N11O8	619.2827	NA	PeJP	NA	NA
+PJ009454	PVEEF 	C29H41N5O10	619.2854	NA	PeJP	NA	NA
+PJ009455	GCERR 	C22H41N11O8S	619.2861	NA	PeJP	NA	NA
+PJ009456	VLEEM 	C26H45N5O10S	619.2887	NA	PeJP	NA	NA
+PJ009457	QMRW 	C27H41N9O6S	619.2901	NA	PeJP	NA	NA
+PJ009458	STQER 	C23H41N9O11	619.2926	NA	PeJP	NA	NA
+PJ009459	GNHHR 	C24H37N13O7	619.2939	NA	PeJP	NA	NA
+PJ009460	GTKEW 	C28H41N7O9	619.2966	NA	PeJP	NA	NA
+PJ009461	VNKEM 	C25H45N7O9S	619.3	NA	PeJP	NA	NA
+MJ086325	Amphibine H; N-De-Me, N-formyl 	C33H41N5O7	619.300598	NA	MeJP	NA	NA
+PJ009462	KFYY 	C33H41N5O7	619.3006	NA	PeJP	NA	NA
+PJ009463	CRRW 	C26H41N11O5S	619.3013	NA	PeJP	NA	NA
+PJ009464	SSDRR 	C22H41N11O10	619.3038	NA	PeJP	NA	NA
+PJ009465	PPLMY 	C30H45N5O7S	619.304	NA	PeJP	NA	NA
+MJ086326	Cryptoechinulin D 	C38H41N3O5	619.304621	NA	MeJP	NA	NA
+PJ009466	GTTRW 	C27H41N9O8	619.3078	NA	PeJP	NA	NA
+MJ086327	Osteostatin 	C27H41N9O8	619.307809	NA	MeJP	NA	NA
+7556	ACE inhibitor from spinach	YPLDL	619.3099	antioxidative	Inhouse_peptide	NA	peptide
+PJ009467	GKEMR 	C24H45N9O8S	619.3112	NA	PeJP	NA	NA
+PJ009468	TKWW 	C32H41N7O6	619.3119	NA	PeJP	NA	NA
+MJ086328	Pregnane-3,8,12,14,17,20-hexol, 20-O-(3-Pyridinecarbonyl), 12-O-cinnamoyl 	C36H45NO8	619.314517	NA	MeJP	NA	NA
+PJ009469	GVKMW 	C29H45N7O6S	619.3152	NA	PeJP	NA	NA
+MJ086329	Glycylalanylprolylmethionylphenylalanylvalinamide 	C29H45N7O6S	619.315202	NA	MeJP	NA	NA
+PJ009470	SKKEE 	C25H45N7O11	619.3177	NA	PeJP	NA	NA
+PJ009471	PPNHR 	C26H41N11O7	619.3191	NA	PeJP	NA	NA
+PJ009472	PVLEY 	C30H45N5O9	619.3217	NA	PeJP	NA	NA
+PJ009473	GTMRR 	C23H45N11O7S	619.3224	NA	PeJP	NA	NA
+PJ009474	KMRW 	C28H45N9O5S	619.3265	NA	PeJP	NA	NA
+PJ009475	STKER 	C24H45N9O10	619.329	NA	PeJP	NA	NA
+PJ009476	SSLKW 	C29H45N7O8	619.333	NA	PeJP	NA	NA
+PJ009477	TLQKM 	C26H49N7O8S	619.3363	NA	PeJP	NA	NA
+PJ009478	VDKKM 	C26H49N7O8S	619.3364	NA	PeJP	NA	NA
+MJ086330	N-[N-[N-[(Hexahydro-1H-azepin-1-yl)carbonyl]-L-leucyl]-1-methyl-D-tryptophyl]-D-tyrosine 	C34H45N5O6	619.336984	NA	MeJP	NA	NA
+PJ009479	PPLFF 	C34H45N5O6	619.337	NA	PeJP	NA	NA
+PJ009480	STTRR 	C23H45N11O9	619.3402	NA	PeJP	NA	NA
+PJ009481	PLLMF 	C31H49N5O6S	619.3404	NA	PeJP	NA	NA
+PJ009482	LLLMM 	C28H53N5O6S2	619.3438	NA	PeJP	NA	NA
+PJ009483	GPKRY 	C28H45N9O7	619.3442	NA	PeJP	NA	NA
+PJ009484	SVKMR 	C25H49N9O7S	619.3476	NA	PeJP	NA	NA
+PJ009485	GTTTLK 	C26H49N7O10	619.3541	NA	PeJP	NA	NA
+PJ009486	AAFRR 	C27H45N11O6	619.3555	NA	PeJP	NA	NA
+PJ009487	VLLEF 	C31H49N5O8	619.3581	NA	PeJP	NA	NA
+PJ009488	PTKKF 	C30H49N7O7	619.3694	NA	PeJP	NA	NA
+PJ009489	TLKKM 	C27H53N7O7S	619.3727	NA	PeJP	NA	NA
+MJ086331	Eisenia Inhibitory peptapeptides; EIPP I 	C29H49N9O6	619.38058	NA	MeJP	NA	NA
+PJ009490	GLKFR 	C29H49N9O6	619.3806	NA	PeJP	NA	NA
+PJ009491	VLLLY 	C32H53N5O7	619.3945	NA	PeJP	NA	NA
+PJ009492	VVKKF 	C31H53N7O6	619.4058	NA	PeJP	NA	NA
+MJ086332	7,26-Dihydroxycholest-4-en-3-one, 7-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl] 	C35H57NO8	619.408417	NA	MeJP	NA	NA
+MJ086333	Sulfobacin A 	C34H69NO6S	619.484559	NA	MeJP	NA	NA
+HMDB10698	CerP(d18:0/16:0)	C34H70NO6P	619.49408	NA	HMDB2010	NA	NA
+HMDB11775	Cer(d18:1/22:1(13Z))	C40H77NO3	619.590332	NA	HMDB2010	NA	NA
+MJ086334	2-Amino-4-octadecene-1,3-diol, N-(13Z-Docosenoyl) 	C40H77NO3	619.590345	NA	MeJP	NA	NA
+HMDB05790	Tannin	C26H20O18	620.06494	http://www.hmdb.ca/metabolites/HMDB05790	HMDB	NA	NA
+HMDB05790	Tannin	C26H20O18	620.06494	HMDB05790	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05790	Tannin	C26H20O18	620.064941	NA	HMDB2010	NA	NA
+PJ009493	SCCCCC 	C18H32N6O8S5	620.0885	NA	PeJP	NA	NA
+MJ086335	1,5-Anhydroglucitol, 2-O-(3,4,5-Trihydroxybenzoyl), 6-O-(dihydroxy-3,4,5-trihydroxybenzoyloxybenzoyl) 	C27H24O17	620.101349	NA	MeJP	NA	NA
+MJ086336	proto-Quercitol, 1,3,5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O17	620.101349	NA	MeJP	NA	NA
+MJ086337	proto-Quercitol, 1,4,5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O17	620.101349	NA	MeJP	NA	NA
+MJ086338	proto-Quercitol, 2,4,5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O17	620.101349	NA	MeJP	NA	NA
+MJ086339	proto-Quercitol, 3,4,5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O17	620.101349	NA	MeJP	NA	NA
+MJ086340	scyllo-Quercitol; 1,2,3-Tris-O-(3,4,5-trihydroxybenzoyl) 	C27H24O17	620.101349	NA	MeJP	NA	NA
+MJ086341	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(3,6-Di-O-malonyl-?-D-glucopyranoside) 	C27H25O17(+)	620.101349	NA	MeJP	NA	NA
+MJ086342	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(Di-O-malonyl-?-D-glucopyranoside) 	C27H25O17(+)	620.101349	NA	MeJP	NA	NA
+MJ086343	Cosmosiin; 6''-O-(4-Hydroxy-E-cinnamoyl), 3''-Ac 	C32H28O13	620.15299	NA	MeJP	NA	NA
+FL3FAAGS0069	Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H28O13	620.15299	474766-92-2	knapsack	NA	NA
+MJ086344	Garcilivin A 	C36H28O10	620.168247	NA	MeJP	NA	NA
+MJ086345	Garcilivin B 	C36H28O10	620.168247	NA	MeJP	NA	NA
+PJ009494	GSCCDH 	C21H32N8O10S2	620.1683	NA	PeJP	NA	NA
+MJ086346	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086347	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[6-O-Acetyl-?-rhamnosyl-(1?2)-?-glucoside] 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086348	4',5,7-Trihydroxyflavone; 5-O-[?-L-Rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranoside] 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086349	4',5,7-Trihydroxyflavone; 7-O-[6-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086350	Vitexin; 2''-O-(4-O-Acetyl-?-L-rhamnopyranosyl) 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086351	Vitexin; 6''-Ac, 2''-O-?-L-rhamnopyranosyl 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086352	Vitexin; 6''-Ac, 4''-O-?-L-rhamnopyranosyl 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086353	?-Rhamnoisorobin; 3-O-(3-O-Acetyl-?-L-rhamnopyranoside) 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086354	?-Rhamnoisorobin; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside) 	C29H32O15	620.17412	NA	MeJP	NA	NA
+MJ086355	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H33O15(+)	620.17412	NA	MeJP	NA	NA
+FL3FAACS0033	Vitexin 2''-O-rhamnoside-4'''-acetate;Swertisin 6'''-O-feruloyl 2''-O-glucoside	C29H32O15	620.17412	80537-98-0	knapsack	NA	NA
+FL3FAACS0059	Cratenacin	C29H32O15	620.17412	28329-82-0	knapsack	NA	NA
+FL3FAACS0060	Vitexin 2''-O-rhamnoside 6''-acetate	C29H32O15	620.17412	140242-24-6	knapsack	NA	NA
+FL3FAACS0085	Vitexin 2''-O-acetyl 4''-O-rhamnoside	C29H32O15	620.17412	-	knapsack	NA	NA
+FL3FAAGS0051	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)	C29H32O15	620.17412	125300-52-9	knapsack	NA	NA
+FL5FAAGS0065	Sutchuenoside A	C29H32O15	620.17412	138079-60-4	knapsack	NA	NA
+PJ009495	GPCDDD 	C22H32N6O13S	620.1748	NA	PeJP	NA	NA
+PJ009496	CCQMH 	C22H36N8O7S3	620.1869	NA	PeJP	NA	NA
+PJ009497	NDDEE 	C22H32N6O15	620.1926	NA	PeJP	NA	NA
+PJ009498	SPPCCD 	C23H36N6O10S2	620.1935	NA	PeJP	NA	NA
+MJ086356	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Hepta-Ac 	C26H36O17	620.195249	NA	MeJP	NA	NA
+PJ009499	CCCHR 	C21H36N10O6S3	620.1982	NA	PeJP	NA	NA
+PJ009500	GSNNDD 	C21H32N8O14	620.2038	NA	PeJP	NA	NA
+PJ009501	GSSCMH 	C22H36N8O9S2	620.2047	NA	PeJP	NA	NA
+PJ009502	GDDEW 	C26H32N6O12	620.2078	NA	PeJP	NA	NA
+FL2FABGM0005	Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]	C30H36O14	620.2105	161161-68-8	knapsack	NA	NA
+FL5FA9GM0001	5,7-Dihydroxy-6,8-di-C-methyl-3-methyoxflavone 7-galactosyl-(1->2)-rhamnoside;7-[(6-Deoxy-2-O-beta-D-galactopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-3-methoxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one	C30H36O14	620.2105	221038-15-9	knapsack	NA	NA
+MJ086357	3,5,7-Trihydroxy-6,8-dimethylflavone; 3-Me ether, 7-O-[?-D-galactopyranosyl-(1?2)-?-D-rhamnopyranoside] 	C30H36O14	620.210505	NA	MeJP	NA	NA
+MJ086358	3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H36O14	620.210505	NA	MeJP	NA	NA
+MJ086359	3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C30H36O14	620.210505	NA	MeJP	NA	NA
+MJ086360	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-[4-carboxy-3-hydroxy-3-methylbutanoyl-(?6)-?-D-glucopyranoside] 	C30H36O14	620.210505	NA	MeJP	NA	NA
+MJ086361	Egonol; O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O14	620.210505	NA	MeJP	NA	NA
+PJ009503	GSPDDM 	C23H36N6O12S	620.2112	NA	PeJP	NA	NA
+PJ009504	APPCCM 	C24H40N6O7S3	620.2121	NA	PeJP	NA	NA
+MJ086362	Cancentrine; 10-Oxo 	C36H32N2O8	620.215866	NA	MeJP	NA	NA
+MJ086363	Ristotetrose 	C23H40O19	620.216379	NA	MeJP	NA	NA
+PJ009505	SSSTCH 	C22H36N8O11S	620.2224	NA	PeJP	NA	NA
+PJ009506	GGNNEM 	C22H36N8O11S	620.2225	NA	PeJP	NA	NA
+PJ009507	DDWW 	C30H32N6O9	620.2231	NA	PeJP	NA	NA
+PJ009508	CCKMH 	C23H40N8O6S3	620.2233	NA	PeJP	NA	NA
+MJ086364	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 2,6-Bis(furancarbonyl), 9-benzoyl, 1-Ac 	C34H36O11	620.225761	NA	MeJP	NA	NA
+MJ086365	Antibiotic ES 242-4; 4-Ac 	C34H36O11	620.225761	NA	MeJP	NA	NA
+PJ009509	SPCEW 	C27H36N6O9S	620.2265	NA	PeJP	NA	NA
+PJ009510	SQEEE 	C23H36N6O14	620.229	NA	PeJP	NA	NA
+PJ009511	PNEMM 	C24H40N6O9S2	620.2298	NA	PeJP	NA	NA
+PJ009512	GGPEMM 	C24H40N6O9S2	620.2299	NA	PeJP	NA	NA
+MJ086366	2-Hydroxy-2-(2-methylpropyl)butanedioic acid, O-?-D-Glucopyranoside, 1-(4-?-D-glucopyranosyloxybenzyl) ester, 	C27H40O16	620.231635	NA	MeJP	NA	NA
+MJ086367	Chromoviridan 	C41H28N6O	620.232459	NA	MeJP	NA	NA
+PJ009513	CNNDR 	C21H36N10O10S	620.2337	NA	PeJP	NA	NA
+PJ009514	GNNMW 	C26H36N8O8S	620.2377	NA	PeJP	NA	NA
+PJ009515	SDDER 	C22H36N8O13	620.2402	NA	PeJP	NA	NA
+PJ009516	PCDMR 	C23H40N8O8S2	620.2411	NA	PeJP	NA	NA
+PJ009517	GTEEW 	C27H36N6O11	620.2442	NA	PeJP	NA	NA
+PJ009518	GPMMW 	C28H40N6O6S2	620.2451	NA	PeJP	NA	NA
+MJ086368	1,3-Diacetyl-11,19-deoxa-11-oxomeliacarpin 	C31H40O13	620.246891	NA	MeJP	NA	NA
+MJ086369	Grandifolin 	C31H40O13	620.246891	NA	MeJP	NA	NA
+MJ086370	Hydrangenoside A 	C31H40O13	620.246891	NA	MeJP	NA	NA
+MJ086371	Rubellin 	C31H40O13	620.246891	NA	MeJP	NA	NA
+PJ009519	VNEEM 	C24H40N6O11S	620.2476	NA	PeJP	NA	NA
+PJ009520	EFYY 	C32H36N4O9	620.2482	NA	PeJP	NA	NA
+MJ086372	Agrobactin; 3'-Deoxy 	C32H36N4O9	620.248228	NA	MeJP	NA	NA
+MJ086373	Saframycin H 	C32H36N4O9	620.248228	NA	MeJP	NA	NA
+PJ009521	PCQHH 	C25H36N10O7S	620.2489	NA	PeJP	NA	NA
+PJ009522	GAPCHH 	C25H36N10O7S	620.249	NA	PeJP	NA	NA
+MJ086374	Maytansinol; 3-O-Propanoyl 	C31H41ClN2O9	620.250058	NA	MeJP	NA	NA
+MJ086375	Maytansinol; N-De-Me, 3-O-(2-methylpropanoyl) 	C31H41ClN2O9	620.250058	NA	MeJP	NA	NA
+MJ086376	Curicycleatjine 	C37H36N2O7	620.252251	NA	MeJP	NA	NA
+MJ086377	Isothalmidine 	C37H36N2O7	620.252251	NA	MeJP	NA	NA
+MJ086378	Ocotosine, 12-O-De-Me, 12'-Me, ?'-ketone 	C37H36N2O7	620.252251	NA	MeJP	NA	NA
+MJ086379	Oxoepistephanine 	C37H36N2O7	620.252251	NA	MeJP	NA	NA
+MJ086380	Repanduline 	C37H36N2O7	620.252251	NA	MeJP	NA	NA
+MJ086381	Fenfangjine H; 1''-Aldehyde 	C37H37N2O7(+)	620.252251	NA	MeJP	NA	NA
+PJ009523	SSNQW 	C26H36N8O10	620.2555	NA	PeJP	NA	NA
+PJ009524	GEEMR 	C23H40N8O10S	620.2588	NA	PeJP	NA	NA
+PJ009525	GGGGAATM 	C23H40N8O10S	620.2589	NA	PeJP	NA	NA
+PJ009526	TEWW 	C31H36N6O8	620.2595	NA	PeJP	NA	NA
+MJ086382	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 2,6-di-Ac 	C35H40O10	620.262147	NA	MeJP	NA	NA
+PJ009527	GVEMW 	C28H40N6O8S	620.2629	NA	PeJP	NA	NA
+PJ009528	SKEEE 	C24H40N6O13	620.2654	NA	PeJP	NA	NA
+PJ009529	PDKMM 	C25H44N6O8S2	620.2662	NA	PeJP	NA	NA
+PJ009530	AQEHH 	C25H36N10O9	620.2667	NA	PeJP	NA	NA
+PJ009531	SNNMR 	C22H40N10O9S	620.2701	NA	PeJP	NA	NA
+PJ009532	GNHFF 	C30H36N8O7	620.2707	NA	PeJP	NA	NA
+MJ086383	Araliopdimerine A; 17,18-Dihydro, 18-hydroxy 	C34H40N2O9	620.27338	NA	MeJP	NA	NA
+MJ086384	Reserpic acid; O-(3,4,5-Trimethoxycinnamoyl), O17-de-Me, Me ester 	C34H40N2O9	620.27338	NA	MeJP	NA	NA
+PJ009533	EMRW 	C27H40N8O7S	620.2741	NA	PeJP	NA	NA
+PJ009534	STEER 	C23H40N8O12	620.2766	NA	PeJP	NA	NA
+PJ009535	SPMMR 	C24H44N8O7S2	620.2775	NA	PeJP	NA	NA
+PJ009536	GDHHR 	C24H36N12O8	620.2779	NA	PeJP	NA	NA
+PJ009537	VMWW 	C32H40N6O5S	620.2781	NA	PeJP	NA	NA
+PJ009538	SSLEW 	C28H40N6O10	620.2806	NA	PeJP	NA	NA
+PJ009539	AAHHW 	C29H36N10O6	620.282	NA	PeJP	NA	NA
+MJ086385	2,3,5,7,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-(2-Methylpropanoyl), 2,3,5,15-tetra-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086386	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2,3-Diangeloyl, 8-(2-methylbutanoyl), 10-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086387	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(3-Methyl-2-butenoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086388	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 5-Ac, 3-O-(6-deoxy-L-mannonoyl) 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086389	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 5-Ac, 3-O-?-D-glucopyranoside 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086390	3,5,7,8,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-(2-Methylpropanoyl), 3,5,8,15-tetra-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086391	3,5,7,8,15-Pentahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-(2-Methylpropanoyl), 3,5,7,15-tetra-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086392	3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 6-Ac, 3-O-?-D-glucopyranoside 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086393	3,8,14,16-Tetrahydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside, 16-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086394	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, Hexa-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086395	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 2,4-dibutanoyl, 9,14-di-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+MJ086396	Perdeacyldecipinone; 5-Butanoyl, 3,7,13,17-tetra-Ac 	C32H44O12	620.283276	NA	MeJP	NA	NA
+C08872	Lanceotoxin A	C32H44O12	620.2833	NA	KEGG	NA	NA
+C08880	Scilliroside	C32H44O12	620.2833	NA	KEGG	NA	NA
+PJ009540	VDKEM 	C25H44N6O10S	620.284	NA	PeJP	NA	NA
+PJ009541	LYYY 	C33H40N4O8	620.2846	NA	PeJP	NA	NA
+PJ009542	PCKHH 	C26H40N10O6S	620.2853	NA	PeJP	NA	NA
+PJ009543	GSSSQR 	C22H40N10O11	620.2878	NA	PeJP	NA	NA
+MJ086397	Cycleanine, 3,4-Didehydro 	C38H40N2O6	620.288637	NA	MeJP	NA	NA
+MJ086398	Insularoline; Me ether 	C38H40N2O6	620.288637	NA	MeJP	NA	NA
+MJ086399	Warifteine; Di-Me ether 	C38H40N2O6	620.288637	NA	MeJP	NA	NA
+PJ009544	SSNKW 	C27H40N8O9	620.2918	NA	PeJP	NA	NA
+PJ009545	GGSSKW 	C27H40N8O9	620.2919	NA	PeJP	NA	NA
+PJ009546	SVEMR 	C24H44N8O9S	620.2952	NA	PeJP	NA	NA
+PJ009547	GPVYW 	C32H40N6O7	620.2959	NA	PeJP	NA	NA
+MJ086400	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-(2-methylbutanoyl), 6-Ac 	C36H44O9	620.298533	NA	MeJP	NA	NA
+MJ086401	Nimbolinin B; 12-Me ether, O7-detigloyl, O1-de-Ac, O1-benzoyl 	C36H44O9	620.298533	NA	MeJP	NA	NA
+PJ009548	ATLMW 	C29H44N6O7S	620.2992	NA	PeJP	NA	NA
+PJ009549	GGPLMF 	C29H44N6O7S	620.2993	NA	PeJP	NA	NA
+MJ086402	Lotusanine B 	C37H40N4O5	620.29987	NA	MeJP	NA	NA
+PJ009550	GTTTLE 	C25H44N6O12	620.3017	NA	PeJP	NA	NA
+PJ009551	VLQMM 	C26H48N6O7S2	620.3026	NA	PeJP	NA	NA
+PJ009552	GNQFR 	C26H40N10O8	620.3031	NA	PeJP	NA	NA
+MJ086403	Cycloartane-3,23,28-triol, 3,28-Disulfate 	C30H52O9S2	620.305274	NA	MeJP	NA	NA
+PJ009553	SCQKR 	C23H44N10O8S	620.3064	NA	PeJP	NA	NA
+PJ009554	GGTCKR 	C23H44N10O8S	620.3065	NA	PeJP	NA	NA
+PJ009555	PRYW 	C31H40N8O6	620.3071	NA	PeJP	NA	NA
+MJ086404	Cryptophycin 4; 7R*,8R*-Epoxide 	C35H44N2O8	620.309766	NA	MeJP	NA	NA
+PJ009556	GCKKW 	C28H44N8O6S	620.3105	NA	PeJP	NA	NA
+PJ009557	GSSDKK 	C24H44N8O11	620.313	NA	PeJP	NA	NA
+PJ009558	ALMMR 	C25H48N8O6S2	620.3138	NA	PeJP	NA	NA
+PJ009559	VCLMR 	C25H48N8O6S2	620.3139	NA	PeJP	NA	NA
+PJ009560	ATHHR 	C25H40N12O7	620.3143	NA	PeJP	NA	NA
+PJ009561	TTTLW 	C29H44N6O9	620.317	NA	PeJP	NA	NA
+MJ086405	11,12-Epoxy-10(14)-oplopene-2,3,4,9-tetrol, 9-(4-Acetoxy-3-methyl-2E-pentenoyl), 2,3-bis(2-methylpropanoyl), 4-Ac 	C33H48O11	620.319662	NA	MeJP	NA	NA
+MJ086406	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside), 6-Ac 	C33H48O11	620.319662	NA	MeJP	NA	NA
+MJ086407	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-(2-Methylbutanoyl), 12-(2-methylpropanoyl), 6,19-di-Ac 	C33H48O11	620.319662	NA	MeJP	NA	NA
+MJ086408	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-(2-Methylbutanoyl), 1-(2-methylpropanoyl), 6,19-di-Ac 	C33H48O11	620.319662	NA	MeJP	NA	NA
+MJ086409	5,6-Epoxy-4(15)-eudesmene-3,7,11-triol, 11-O-(3-Acetyl-2,4-diangeloyl-?-D-fucopyranoside) 	C33H48O11	620.319662	NA	MeJP	NA	NA
+PJ009562	TLKEM 	C26H48N6O9S	620.3204	NA	PeJP	NA	NA
+PJ009563	GSSSKR 	C23H44N10O10	620.3242	NA	PeJP	NA	NA
+MJ086410	Terlakiren 	C31H48N4O7S	620.32437	NA	MeJP	NA	NA
+PJ009564	SPVRY 	C28H44N8O8	620.3282	NA	PeJP	NA	NA
+PJ009565	GGGGVKF 	C28H44N8O8	620.3283	NA	PeJP	NA	NA
+MJ086411	Butobendine 	C32H48N2O10	620.330895	NA	MeJP	NA	NA
+PJ009566	TTLMR 	C25H48N8O8S	620.3316	NA	PeJP	NA	NA
+PJ009567	GVLFW 	C33H44N6O6	620.3323	NA	PeJP	NA	NA
+MJ086412	Melianin C 	C37H48O8	620.334918	NA	MeJP	NA	NA
+PJ009568	PVKMF 	C30H48N6O6S	620.3356	NA	PeJP	NA	NA
+MJ086413	Keenamide A 	C30H48N6O6S	620.335603	NA	MeJP	NA	NA
+PJ009569	SSTTLL 	C26H48N6O11	620.3381	NA	PeJP	NA	NA
+PJ009570	VLKMM 	C27H52N6O6S2	620.339	NA	PeJP	NA	NA
+PJ009571	GNKFR 	C27H44N10O7	620.3395	NA	PeJP	NA	NA
+PJ009572	SCKKR 	C24H48N10O7S	620.3428	NA	PeJP	NA	NA
+PJ009573	LFRW 	C32H44N8O5	620.3435	NA	PeJP	NA	NA
+MJ086414	Trienomycin; Trienomycin D 	C36H48N2O7	620.346151	NA	MeJP	NA	NA
+PJ009574	GSTTKK 	C25H48N8O10	620.3494	NA	PeJP	NA	NA
+PJ009575	PTLKY 	C30H48N6O8	620.3534	NA	PeJP	NA	NA
+MJ086415	1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H52O10	620.356047	NA	MeJP	NA	NA
+MJ086416	Physagulin D 	C34H52O10	620.356047	NA	MeJP	NA	NA
+MJ086417	Pubescenin 	C34H52O10	620.356047	NA	MeJP	NA	NA
+PJ009576	GLLRY 	C29H48N8O7	620.3646	NA	PeJP	NA	NA
+PJ009577	SKKKM 	C26H52N8O7S	620.368	NA	PeJP	NA	NA
+MJ086418	Capuvosine; N-De-Me 	C39H48N4O3	620.372641	NA	MeJP	NA	NA
+PJ009578	PVLHR 	C28H48N10O6	620.3759	NA	PeJP	NA	NA
+MJ086419	Buxoxybenzamine; 7-Deacetoxy, 16?-acetoxy, 2-Ac 	C37H52N2O6	620.382537	NA	MeJP	NA	NA
+MJ086420	Buxoxybenzamine; O-Ac 	C37H52N2O6	620.382537	NA	MeJP	NA	NA
+MJ086421	Buxpapinine 	C37H52N2O6	620.382537	NA	MeJP	NA	NA
+MJ086422	Kopsirachin 	C37H52N2O6	620.382537	NA	MeJP	NA	NA
+MJ086423	Fla-P5 	C42H52O4	620.38656	NA	MeJP	NA	NA
+PJ009579	VVLKY 	C31H52N6O7	620.3898	NA	PeJP	NA	NA
+MJ086424	16,23:22,25-Diepoxycycloart-7-ene-3,23,24-triol, 7,8?-Dihydro, 3-O-?-D-xylopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086425	16,23:24,28-Diepoxy-3-hydroxystigmastan-7-one, 3-O-?-D-Glucopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086426	16,24:20,24-Diepoxycycloartane-3,7,25-triol, 3-O-?-D-Xylopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086427	2,3,19-Trihydroxy-12-oleanen-28-oic acid, ?-D-Xylopyranosyl ester 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086428	20,24-Epoxy-3,16,25-trihydroxycycloartan-12-one, 3-O-?-D-Xylopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086429	3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086430	3,19,24-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086431	?-Ilexanolic acid; 3-O-?-L-Arabinopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086432	Cimigenol; 3-O-Xyloside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086433	Cimigenol; 3-O-?-L-Arabinopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086434	Cycloorbigenin; 3-O-?-D-Xylopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086435	Dammar-23-ene-3,12,17,20,25-pentol, 3-Malonyl, 12-Ac 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086436	Dammar-25-ene-3,12,17,20,24-pentol, 3-Malonyl ester, 12-Ac 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086437	Shengmanol; 3-O-?-D-Xylopyranoside 	C35H56O9	620.392433	NA	MeJP	NA	NA
+MJ086438	Tomentoside I 	C35H56O9	620.392433	NA	MeJP	NA	NA
+PJ009580	AKKKF 	C30H52N8O6	620.401	NA	PeJP	NA	NA
+MJ086439	12-Oleanene-3,23,28-triol, 23-(3,4-Dihydroxycinnamoyl)(E-) 	C39H56O6	620.407689	NA	MeJP	NA	NA
+MJ086440	12-Oleanene-3,23,28-triol, 3-(3,4-Dihydroxycinnamoyl)(E-) 	C39H56O6	620.407689	NA	MeJP	NA	NA
+MJ086441	14-Serratene-3,21,24,30-tetrol, 30-(4-Hydroxycinnamoyl) 	C39H56O6	620.407689	NA	MeJP	NA	NA
+MJ086442	Ergosterol peroxide; 3-(2-Hydroxy-4-methoxy-6-propylbenzoyl) 	C39H56O6	620.407689	NA	MeJP	NA	NA
+MJ086443	Mirabimides; Mirabimide A 	C33H56N4O7	620.4149	NA	MeJP	NA	NA
+MJ086444	Rakicidin B 	C33H56N4O7	620.4149	NA	MeJP	NA	NA
+MJ086445	Martinelline 	C33H52N10O2	620.42747	NA	MeJP	NA	NA
+MJ086446	12,20-Dihydroxy-3,4-secodammara-4(28),24-dien-3-oic acid; 12?-form, 12-O-?-D-Xylopyranoside, Me ester 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086447	12-Oleanene-3,16,28-triol, 3-O-?-D-Galactopyranoside 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086448	12-Oleanene-3,16,28-triol, 3-O-?-D-Glucopyranoside 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086449	12-Oleanene-3,22,24-triol, 22-O-?-D-Glucopyranoside 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086450	12-Oleanene-3,22,24-triol, 24-O-?-D-Glucopyranoside 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086451	Cucurbita-5,24-diene-3,7,23-triol, 7-O-?-D-Glucopyranoside 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086452	Dammara-20(22),24-diene-3,6,12-triol, 6-O-?-D-Glucopyranoside 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086453	Fasciculic acid B; 12-Deoxy 	C36H60O8	620.428818	NA	MeJP	NA	NA
+MJ086454	Staphinine 	C42H56N2O2	620.434179	NA	MeJP	NA	NA
+MJ086455	Staphisine; 19-Oxo, demethoxy 	C42H56N2O2	620.434179	NA	MeJP	NA	NA
+MJ086456	Efrapeptin A 	C32H58N7O5	620.449943	NA	MeJP	NA	NA
+MJ086457	Aromicin 	C37H64O7	620.465204	NA	MeJP	NA	NA
+MJ086458	Asimin; 24-Epimer, 10-ketone 	C37H64O7	620.465204	NA	MeJP	NA	NA
+MJ086459	Asitribin; 20,24-Diepimer, 28-ketone 	C37H64O7	620.465204	NA	MeJP	NA	NA
+MJ086460	Goniocin 	C37H64O7	620.465204	NA	MeJP	NA	NA
+MJ086461	Mosinone A 	C37H64O7	620.465204	NA	MeJP	NA	NA
+MJ086462	1,3,25,27-Octacosanetetrol, 1-O-?-D-Glucopyranoside 	C34H68O9	620.486333	NA	MeJP	NA	NA
+MJ086463	1,3,25,27-Octacosanetetrol, 1-O-?-D-Mannopyranoside 	C34H68O9	620.486333	NA	MeJP	NA	NA
+MJ086464	1-Pentacosene-4,6,8,10,12,14,16,18,20-nonol, Nona-Me ether 	C34H68O9	620.486333	NA	MeJP	NA	NA
+MJ086465	3,4-Didehydro-1,2-dihydro-1-hydroxy-2-(3-methyl-2-butenyl)-?,?-carotene 	C45H64O	620.495716	NA	MeJP	NA	NA
+MJ086466	5-(1-Hydroxy-1-methylethyl)-2,8,12,16,21,25,29,33-octamethyl-2,6,8,10,12,14,16,18,20,22,24,26,28,32-tetratricontatetradecaene 	C45H64O	620.495716	NA	MeJP	NA	NA
+HMDB05214	DG(18:0/18:2(9Z,12Z)/0:0)[iso2]	C39H72O5	620.53796	http://www.hmdb.ca/metabolites/HMDB05214	HMDB	NA	NA
+HMDB05223	DG(16:1(9Z)/20:1(11Z)/0:0)[iso2]	C39H72O5	620.53796	http://www.hmdb.ca/metabolites/HMDB05223	HMDB	NA	NA
+HMDB05228	DG(18:1(9Z)/18:1(9Z)/0:0)	C39H72O5	620.53796	http://www.hmdb.ca/metabolites/HMDB05228	HMDB	NA	NA
+HMDB05214	DG(18:0/18:2(9Z,12Z)/0:0)[iso2]	C39H72O5	620.53796	HMDB05214	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05223	DG(16:1(9Z)/20:1(11Z)/0:0)[iso2]	C39H72O5	620.53796	HMDB05223	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05228	DG(18:1(9Z)/18:1(9Z)/0:0)	C39H72O5	620.53796	HMDB05228	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07030	DG(14:0/22:2(13Z,16Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07058	DG(14:1(9Z)/22:1(13Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07109	DG(16:0/20:2(11Z,14Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07137	DG(16:1(9Z)/20:1(11Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07161	DG(18:0/18:2(9Z,12Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07188	DG(18:1(11Z)/18:1(11Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07189	DG(18:1(11Z)/18:1(9Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07217	DG(18:1(9Z)/18:1(11Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07218	DG(18:1(9Z)/18:1(9Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07245	DG(18:2(9Z,12Z)/18:0/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07389	DG(20:1(11Z)/16:1(9Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07417	DG(20:2(11Z,14Z)/16:0/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07618	DG(22:1(13Z)/14:1(9Z)/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+HMDB07646	DG(22:2(13Z,16Z)/14:0/0:0)	C39H72O5	620.537964	NA	HMDB2010	NA	NA
+MJ086467	Papakusterol; 3-(4,8,12-Trimethyltridecanoyl) 	C43H72O2	620.553231	NA	MeJP	NA	NA
+MJ086468	2-Nonacosyl-3-tridecene-1,10-diol 	C42H84O2	620.647131	NA	MeJP	NA	NA
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	NA	621.024475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	NA	621.024475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	NA	621.024475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR309	Nicotinamide adénine di nucléotide phosphate F2	F2	621.024475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	NA	621.024475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR309	Nicotinamide adenine di nucleotide phosphate F2	F2	621.024475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11671	ADP-ribose 1''-2'' cyclic phosphate	C15H22N5O16P3	621.027466	NA	HMDB2010	NA	NA
+C04427	UDP-N-acetyl-beta-D-mannosaminouronate	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C04573	UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C06240	UDP-N-acetyl-D-mannosaminouronate	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C13952	UDP-N-acetyl-D-galactosaminuronic acid	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C13953	Transferred to D02177	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C13954	Transferred to D02178	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C13955	Transferred to D02179	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C13956	Transferred to D00107	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+C13957	Transferred to D02181	C17H25N3O18P2	621.0608	NA	KEGG	NA	NA
+MJ086469	UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate 	C17H25N3O18P2	621.060834	NA	MeJP	NA	NA
+MJ086470	UDP-N-acetyl-D-mannosaminouronate 	C17H25N3O18P2	621.060834	NA	MeJP	NA	NA
+MetaCyc03990	UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate []	C17H25N3O18P2	621.060834	NA	metacyc	NA	NA
+MetaCyc03991	UDP-N-acetyl-&beta;-D-mannosaminouronate [UDP-N-acetyl-mannosaminouronic acid;UDP-ManNAcA;UDP-N-acetyl-D-mannosaminouronic-acid;UDP-N-acetyl-D-mannosaminouronate;]	C17H25N3O18P2	621.060834	NA	metacyc	NA	NA
+FL7AACGL0029	Cyanidin 3-(3'',6''-dimalonylglucoside)	C27H25O17	621.10917	180129-50-4	knapsack	NA	NA
+MetaCyc03992	cyanidin 3-O-(36\-O-dimalonyl-&beta;-glucopyranoside) []	C27H25O17	621.109174	NA	metacyc	NA	NA
+C16289	Cyanidin 3-O-3'',6''-O-dimalonylglucoside	C27H25O17	621.1092	NA	KEGG	NA	NA
+MJ086471	Micacocidins; Ni complex 	C27H37N3NiO4S3	621.129966	NA	MeJP	NA	NA
+PJ009581	CCCMY 	C23H35N5O7S4	621.1419	NA	PeJP	NA	NA
+HMDB11669	6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	C21H36NO18P	621.166992	NA	HMDB2010	NA	NA
+PJ009582	CCEMH 	C22H35N7O8S3	621.1709	NA	PeJP	NA	NA
+PJ009583	CCCFF 	C27H35N5O6S3	621.175	NA	PeJP	NA	NA
+PJ009584	DDDEE 	C22H31N5O16	621.1766	NA	PeJP	NA	NA
+FL7AAAGL0066	Pelargonidin 3-(2'-acetylrutinoside)	C29H33O15	621.18194	259813-58-6	knapsack	NA	NA
+PJ009585	GSNDDD 	C21H31N7O15	621.1878	NA	PeJP	NA	NA
+PJ009586	GGGSDDD 	C21H31N7O15	621.1879	NA	PeJP	NA	NA
+PJ009587	GPCCNE 	C22H35N7O10S2	621.1887	NA	PeJP	NA	NA
+PJ009588	ACCYY 	C27H35N5O8S2	621.1927	NA	PeJP	NA	NA
+PJ009589	PCCNW 	C26H35N7O7S2	621.204	NA	PeJP	NA	NA
+PJ009590	NNDEM 	C22H35N7O12S	621.2065	NA	PeJP	NA	NA
+PJ009591	TCMMH 	C23H39N7O7S3	621.2073	NA	PeJP	NA	NA
+PJ009592	SSCYY 	C27H35N5O10S	621.2105	NA	PeJP	NA	NA
+PJ009593	SEEEE 	C23H35N5O15	621.213	NA	PeJP	NA	NA
+PJ009594	PDEMM 	C24H39N5O10S2	621.2139	NA	PeJP	NA	NA
+PJ009595	CNDDR 	C21H35N9O11S	621.2177	NA	PeJP	NA	NA
+PJ009596	GNDMW 	C26H35N7O9S	621.2217	NA	PeJP	NA	NA
+PJ009597	GSSNEE 	C22H35N7O14	621.2242	NA	PeJP	NA	NA
+PJ009598	GSPCQM 	C23H39N7O9S2	621.2251	NA	PeJP	NA	NA
+PJ009599	PDDEF 	C27H35N5O12	621.2282	NA	PeJP	NA	NA
+PJ009600	VDEEM 	C24H39N5O12S	621.2316	NA	PeJP	NA	NA
+PJ009601	PCEHH 	C25H35N9O8S	621.233	NA	PeJP	NA	NA
+PJ009602	SSSNNN 	C21H35N9O13	621.2354	NA	PeJP	NA	NA
+PJ009603	GGSSSNN 	C21H35N9O13	621.2355	NA	PeJP	NA	NA
+PJ009604	GSPCCR 	C22H39N9O8S2	621.2363	NA	PeJP	NA	NA
+PJ009605	CQWW 	C30H35N7O6S	621.237	NA	PeJP	NA	NA
+PJ009606	SSNEW 	C26H35N7O11	621.2395	NA	PeJP	NA	NA
+PJ009607	GMMHF 	C27H39N7O6S2	621.2403	NA	PeJP	NA	NA
+PJ009608	SQQEM 	C23H39N7O11S	621.2428	NA	PeJP	NA	NA
+PJ009609	GGTQEM 	C23H39N7O11S	621.2429	NA	PeJP	NA	NA
+PJ009610	NYYY 	C31H35N5O9	621.2435	NA	PeJP	NA	NA
+PJ009611	PPDMY 	C28H39N5O9S	621.2469	NA	PeJP	NA	NA
+PJ009612	NNNNF 	C25H35N9O10	621.2507	NA	PeJP	NA	NA
+PJ009613	SNDMR 	C22H39N9O10S	621.2541	NA	PeJP	NA	NA
+PJ009614	GSSWW 	C30H35N7O8	621.2547	NA	PeJP	NA	NA
+PJ009615	GTQMW 	C27H39N7O8S	621.2581	NA	PeJP	NA	NA
+PJ009616	GSSDKE 	C23H39N7O13	621.2606	NA	PeJP	NA	NA
+PJ009617	VNQMM 	C24H43N7O8S2	621.2615	NA	PeJP	NA	NA
+PJ009618	SNQHH 	C24H35N11O9	621.2619	NA	PeJP	NA	NA
+PJ009619	GGSQHH 	C24H35N11O9	621.262	NA	PeJP	NA	NA
+PJ009620	PVDEY 	C28H39N5O11	621.2646	NA	PeJP	NA	NA
+PJ009621	PPMMF 	C29H43N5O6S2	621.2655	NA	PeJP	NA	NA
+PJ009622	TLEEM 	C25H43N5O11S	621.268	NA	PeJP	NA	NA
+PJ009623	PLMMM 	C26H47N5O6S3	621.2689	NA	PeJP	NA	NA
+PJ009624	GTCRW 	C26H39N9O7S	621.2693	NA	PeJP	NA	NA
+PJ009625	GSSSER 	C22H39N9O12	621.2718	NA	PeJP	NA	NA
+PJ009626	GQMMR 	C23H43N9O7S2	621.2727	NA	PeJP	NA	NA
+PJ009627	CKWW 	C31H39N7O5S	621.2734	NA	PeJP	NA	NA
+PJ009628	STTQW 	C27H39N7O10	621.2758	NA	PeJP	NA	NA
+PJ009629	SSDKW 	C27H39N7O10	621.2759	NA	PeJP	NA	NA
+PJ009630	SQKEM 	C24H43N7O10S	621.2792	NA	PeJP	NA	NA
+PJ009631	PPDFF 	C32H39N5O8	621.2799	NA	PeJP	NA	NA
+PJ009632	PVEMF 	C29H43N5O8S	621.2833	NA	PeJP	NA	NA
+PJ009633	GCMRR 	C22H43N11O6S2	621.284	NA	PeJP	NA	NA
+PJ009634	VLEMM 	C26H47N5O8S2	621.2866	NA	PeJP	NA	NA
+PJ009635	SSSRW 	C26H39N9O9	621.2871	NA	PeJP	NA	NA
+PJ009636	STQMR 	C23H43N9O9S	621.2905	NA	PeJP	NA	NA
+PJ009637	AAQFW 	C31H39N7O7	621.2911	NA	PeJP	NA	NA
+MJ086472	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 8-(2-methylbutanoyl), 1-Ac 	C35H43NO9	621.293781	NA	MeJP	NA	NA
+PJ009638	GTKMW 	C28H43N7O7S	621.2945	NA	PeJP	NA	NA
+MJ086473	Rugosanine B 	C36H39N5O5	621.295119	NA	MeJP	NA	NA
+PJ009639	GSTTKE 	C24H43N7O12	621.297	NA	PeJP	NA	NA
+PJ009640	VNKMM 	C25H47N7O7S2	621.2979	NA	PeJP	NA	NA
+PJ009641	SNKHH 	C25H39N11O8	621.2983	NA	PeJP	NA	NA
+PJ009642	PTLEY 	C29H43N5O10	621.301	NA	PeJP	NA	NA
+PJ009643	STCRR 	C22H43N11O8S	621.3017	NA	PeJP	NA	NA
+C02334	Z-Arg-Arg-NHMec	C30H39N9O6	621.3023	NA	KEGG	NA	NA
+PJ009644	NFRW 	C30H39N9O6	621.3023	NA	PeJP	NA	NA
+PJ009645	GGFRW 	C30H39N9O6	621.3024	NA	PeJP	NA	NA
+2861	fragment of human as1-casein	YVPFP	621.303	antibacterial	Inhouse_peptide	NA	peptide
+PJ009646	VVMHH 	C27H43N9O6S	621.3057	NA	PeJP	NA	NA
+PJ009647	GSTTTR 	C23H43N9O11	621.3082	NA	PeJP	NA	NA
+PJ009648	GKMMR 	C24H47N9O6S2	621.3091	NA	PeJP	NA	NA
+PJ009649	STTKW 	C28H43N7O9	621.3122	NA	PeJP	NA	NA
+PJ009650	GGPTKY 	C28H43N7O9	621.3123	NA	PeJP	NA	NA
+PJ009651	SKKEM 	C25H47N7O9S	621.3156	NA	PeJP	NA	NA
+PJ009652	PPVFY 	C33H43N5O7	621.3163	NA	PeJP	NA	NA
+PJ009653	PVLMY 	C30H47N5O7S	621.3196	NA	PeJP	NA	NA
+PJ009654	GVQRY 	C27H43N9O8	621.3235	NA	PeJP	NA	NA
+PJ009655	STKMR 	C24H47N9O8S	621.3268	NA	PeJP	NA	NA
+PJ009656	AAKFW 	C32H43N7O6	621.3275	NA	PeJP	NA	NA
+PJ009657	PCKKF 	C29H47N7O6S	621.3309	NA	PeJP	NA	NA
+PJ009658	SSSTLK 	C25H47N7O11	621.3334	NA	PeJP	NA	NA
+PJ009659	CLKKM 	C26H51N7O6S2	621.3342	NA	PeJP	NA	NA
+PJ009660	QRRY 	C26H43N11O7	621.3347	NA	PeJP	NA	NA
+PJ009661	VVLEY 	C30H47N5O9	621.3374	NA	PeJP	NA	NA
+3607	heparin-binding peptide	WQWRAKKLGA	621.342	MH2+	Inhouse_peptide	NA	peptide
+PJ009662	GPHRR 	C25H43N13O6	621.346	NA	PeJP	NA	NA
+PJ009663	SPKKY 	C29H47N7O8	621.3486	NA	PeJP	NA	NA
+PJ009664	PVLFF 	C34H47N5O6	621.3527	NA	PeJP	NA	NA
+PJ009665	VLLMF 	C31H51N5O6S	621.356	NA	PeJP	NA	NA
+2924	neuropeptide from eyestalk of Macrobrachium rosenb	DRTPALRLRF~	621.35895	MH2+	Inhouse_peptide	NA	peptide
+PJ009666	GVKRY 	C28H47N9O7	621.3599	NA	PeJP	NA	NA
+PJ009667	KRRY 	C27H47N11O6	621.3711	NA	PeJP	NA	NA
+PJ009668	TLLLY 	C31H51N5O8	621.3738	NA	PeJP	NA	NA
+MJ086474	Septacidin 	C30H51N7O7	621.384997	NA	MeJP	NA	NA
+MJ086475	Spicamycin 	C30H51N7O7	621.384997	NA	MeJP	NA	NA
+C15751	Spicamycin	C30H51N7O7	621.385	NA	KEGG	NA	NA
+C15754	Septacidin	C30H51N7O7	621.385	NA	KEGG	NA	NA
+PJ009669	ALKKY 	C30H51N7O7	621.385	NA	PeJP	NA	NA
+MJ086476	Antibiotic 6108D 	C34H55NO9	621.387682	NA	MeJP	NA	NA
+PJ009670	PLKKH 	C29H51N9O6	621.3963	NA	PeJP	NA	NA
+EUR782	Lyso PC 22:2 [M+FA-H]-	C30H58NO7P	621.399972	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR782	Lyso PC 22:2 [M+FA-H]-	C30H58NO7P	621.399972	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR782	Lyso PC 22:2 [M+FA-H]-	C30H58NO7P	621.399972	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR782	Lyso PC 22:2 [M+FA-H]-	C30H58NO7P	621.399972	masses lipides attendues	Inhousejuil11	NA	NA
+MJ086477	Myxovirescin A; Myxovirescin A1, 2,3-Didehydro 	C35H59NO8	621.424067	NA	MeJP	NA	NA
+MJ086478	Myxovirescin N1 	C35H59NO8	621.424067	NA	MeJP	NA	NA
+MJ086479	Pamamycin; Pamamycin 621A 	C36H63NO7	621.460453	NA	MeJP	NA	NA
+MJ086480	Pamamycin; Pamamycin 621B 	C36H63NO7	621.460453	NA	MeJP	NA	NA
+MJ086481	Pamamycin; Pamamycin 621C 	C36H63NO7	621.460453	NA	MeJP	NA	NA
+MJ086482	Pamamycin; Pamamycin 621D 	C36H63NO7	621.460453	NA	MeJP	NA	NA
+MJ086483	2-Amino-15-methyl-4-hexadecene-1,3-diol, N-(21-Methyldocosanoyl) 	C40H79NO3	621.605995	NA	MeJP	NA	NA
+MJ086484	2-Amino-15-methyl-4-hexadecene-1,3-diol, N-Tricosanoyl 	C40H79NO3	621.605995	NA	MeJP	NA	NA
+MJ086485	2-Amino-16-methyl-4-heptadecene-1,3-diol, N-Docosanoyl 	C40H79NO3	621.605995	NA	MeJP	NA	NA
+MJ086486	2-Amino-4-octadecene-1,3-diol, N-Docosanoyl 	C40H79NO3	621.605995	NA	MeJP	NA	NA
+HMDB04952	Ceramide (d18:1/22:0)	C40H79NO3	621.606018	NA	HMDB2010	NA	NA
+HMDB11766	Cer(d18:0/22:1(13Z))	C40H79NO3	621.606018	NA	HMDB2010	NA	NA
+HMDB04952	Ceramide (d18:1/22:0)	C40H79NO3	621.60602	http://www.hmdb.ca/metabolites/HMDB04952	HMDB	NA	NA
+HMDB04952	Ceramide (d18:1/22:0)	C40H79NO3	621.60602	HMDB04952	PFEM_hmdb_metabocards_official	NA	NA
+3598	heparin-binding peptide	WQCRMKKCGA	621.7622	MH2+	Inhouse_peptide	NA	peptide
+MJ086487	Tiratricol 	C14H9I3O4	621.763489	NA	MeJP	NA	NA
+2644	synthetic fr, of human beta-CN, ACE inhibitor	TDQHQDKIYP	621.7839	MH2+	Inhouse_peptide	NA	peptide
+2921	neuropeptide from eyestalk of Macrobrachium rosenb	GGRSPSLRLRF~	621.8565	MH2+	Inhouse_peptide	NA	peptide
+MJ086488	3,3',4',5,7-Pentahydroxyflavone; 3,3',4',7-Tetra-O-sulfate 	C15H10O19S4	621.86991	NA	MeJP	NA	NA
+FL5FACNSS010	Quercetin 3,7,3',4'-tetra-O-sulfate	C15H10O19S4	621.86991	37791-22-3	knapsack	NA	NA
+C04418	N-Acetyl-L-phenylalanyl-L-diiodotyrosine	C20H20I2N2O5	621.9462	NA	KEGG	NA	NA
+C04419	Carboxybiotin-carboxyl-carrier protein	C18H26N5O6SR2	621.9462	NA	KEGG	NA	NA
+FL3FFAGSS004	8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide);5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-Glucopyranosiduronic acid 2,4-bis(hydrogen sulfate)	C21H18O18S2	621.99345	351224-00-5	knapsack	NA	NA
+MJ086489	4',5,7,8-Tetrahydroxyflavone; 8-O-(2,4-Di-O-sulfo-?-D-glucuronopyranoside) 	C21H18O18S2	621.993455	NA	MeJP	NA	NA
+MJ086490	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-(Disulfo-?-D-glucopyranoside) 	C22H22O17S2	622.02984	NA	MeJP	NA	NA
+MJ086491	Diphyllin; 6-Bromo-3,4-dimethoxybenzoyl 	C30H23BrO10	622.047459	NA	MeJP	NA	NA
+MJ086492	Beticolin 0 	C31H23ClO12	622.087803	NA	MeJP	NA	NA
+MJ086493	Cebetin A; 14',15'-Deepoxy, 14',15'-didehydro 	C31H23ClO12	622.087803	NA	MeJP	NA	NA
+MJ086494	Pentaphlorethol A 	C30H22O15	622.09587	NA	MeJP	NA	NA
+FL3FAAGS0025	Apigenin 7-glucuronosyl-(1->2)-glucuronide	C27H26O17	622.11699	74696-01-8	knapsack	NA	NA
+FL3FAAGS0027	Apigenin 7,4'-diglucuronide	C27H26O17	622.11699	51008-82-3	knapsack	NA	NA
+MJ086495	4',5,7-Trihydroxyflavone; 4',7-Di-O-?-D-glucuronopyranoside 	C27H26O17	622.116999	NA	MeJP	NA	NA
+MJ086496	4',5,7-Trihydroxyflavone; 7-O-[?-D-Galacturonopyranosyl-(1??)-?-D-galacturonopyranoside] 	C27H26O17	622.116999	NA	MeJP	NA	NA
+MJ086497	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C27H26O17	622.116999	NA	MeJP	NA	NA
+MJ086498	5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-(4,6-Di-O-galloyl-?-D-glucopyranoside) 	C27H26O17	622.116999	NA	MeJP	NA	NA
+MJ086499	5-(Hydroxymethyl)-1,2,3-benzenetriol; 2-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside], 1'-O-(3,4,5-trihydroxybenzoyl) 	C27H26O17	622.116999	NA	MeJP	NA	NA
+MJ086500	Micacocidins; Co complex 	C27H37CoN3O4S3	622.127818	NA	MeJP	NA	NA
+MJ086501	3,18-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?18 Lactone, 3-ketone, 2,2-dibromo 	C30H40Br2O4	622.129335	NA	MeJP	NA	NA
+MJ086502	Calcein 	C30H26N2O13	622.143488	NA	MeJP	NA	NA
+MJ086503	6''-Prenylamentoflavone; ?11''-Isomer, 10''-hydroxy 	C35H26O11	622.147511	NA	MeJP	NA	NA
+FL3FADGS0016	Luteolin 3'-methyl ether 7-glucuronide-4'-rhamnoside	C28H30O16	622.15338	58970-79-9	knapsack	NA	NA
+FL3FECGS0041	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C28H30O16	622.15338	151750-86-6	knapsack	NA	NA
+FL5FAAGA0031	Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside]	C28H30O16	622.15338	-	knapsack	NA	NA
+FL5FAAGS0118	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside;3-[[6-O-(3-O-Acetyl-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C28H30O16	622.15338	329319-01-9	knapsack	NA	NA
+MJ086504	3',4',5,7-Tetrahydroxyisoflavone; 3',4'-Methylene ether, 7-O-[?-D-glucosylpyranosyl-(1??)-?-D-glucopyranoside] 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086505	3,4',5,7-Tetrahydroxyflavone; 3-O-[2-O-Acetyl-?-L-arabinopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086506	4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[6-O-(3-Hydroxy-3-methylglutaryl)-?-D-glucopyranoside] 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086507	4',5,7-Trihydroxy-3'-methoxyflavone; 4'-O-?-L-Rhamnopyranoside, 7-O-?-D-glucuronopyranoside 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086508	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086509	5,6,7-Trihydroxyflavone; 7-Me ether, 5-O-[?-D-glucuronopyranosyl-(1??)-?-D-glucopyranoside] 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086510	Trifolin; 6''-O-(2-O-Acetyl-?-L-arabinopyranosyl) 	C28H30O16	622.153384	NA	MeJP	NA	NA
+MJ086511	Trifolin; 7-O-?-Arabinopyranoside, 2''-Ac 	C28H30O16	622.153384	NA	MeJP	NA	NA
+PJ009671	GTCCCH 	C21H34N8O8S3	622.1662	NA	PeJP	NA	NA
+FL1C3AGS0004	4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl-6''-O-acetyl)glucoside	C32H30O13	622.16864	597550-51-1	knapsack	NA	NA
+FL2FAAGS0025	Naringenin 7-[3-acetyl-6-p-coumaroylglucoside];5,7,4'-Trihydroxyflavanone 7-[3-acetyl-6-p-coumaroylglucoside]	C32H30O13	622.16864	-	knapsack	NA	NA
+FL5FCBGL0002	Kaempferol 7,4'-dimethyl ether 3-(6''-(E)-p-coumarylglucoside)	C32H30O13	622.16864	-	knapsack	NA	NA
+MJ086512	3,5-Dihydroxy-4',7-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C32H30O13	622.168641	NA	MeJP	NA	NA
+MJ086513	4',5,7-Trihydroxyflavanone, 7-O-[4-Hydroxycinnamoyl-(?6)-3-O-acetyl-?-D-glucopyranoside] 	C32H30O13	622.168641	NA	MeJP	NA	NA
+PJ009672	GSDDDD 	C21H30N6O16	622.1719	NA	PeJP	NA	NA
+PJ009673	GPCCDE 	C22H34N6O11S2	622.1727	NA	PeJP	NA	NA
+MJ086514	Beccapoline; N6-Me 	C38H27N2O7(+)	622.174001	NA	MeJP	NA	NA
+MJ086515	Amentoflavone; Hexa-Me ether 	C36H30O10	622.183897	NA	MeJP	NA	NA
+PJ009674	SSSCCH 	C21H34N8O10S2	622.184	NA	PeJP	NA	NA
+PJ009675	PCCDW 	C26H34N6O8S2	622.188	NA	PeJP	NA	NA
+MJ086516	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086517	3',4',7-Trihydroxyisoflavone; 3',4'-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086518	3,4-Dihydroxyphenylacetaldehyde; Enol-form, 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086519	4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086520	4',5-Dihydroxy-3,7-dimethoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086521	4',5-Dihydroxy-6,7-dimethoxyflavone; 4'-O-Rutinoside 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086522	4',6,7-Trihydroxyisoflavone; 4',6-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086523	4',7,8-Trihydroxyisoflavone; 4',8-Di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086524	5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086525	5,7-Dihydroxy-3',4'-dimethoxyflavone; 7-O-Neohesperidoside 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086526	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086527	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086528	5,7-Dihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086529	5-Hydroxy-3',4',7-trimethoxyflavone; 5-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086530	7-Hydroxy-3',4',5-trimethoxyflavone; 7-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086531	Crenatoside 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086532	Sucrose; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 4-O-benzoyl 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086533	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6-O-benzoyl 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086534	Swertisin; 2''-O-?-D-Glucopyranosyl, 4'-Me ether 	C29H34O15	622.18977	NA	MeJP	NA	NA
+MJ086535	Swertisin; 4'-Me ether, 5-O-?-D-glucopyranoside 	C29H34O15	622.18977	NA	MeJP	NA	NA
+FL3F4AGS0001	6,8-Dihydroxy-7,4'-dimethoxyflavone 6-rutinoside;Dicliripariside C;6-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-8-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C29H34O15	622.18977	491613-67-3	knapsack	NA	NA
+FL3FBFGS0001	7,5',4'-Trimethoxyflavone 7-xylosyl-(1->6)-glucoside;2-(3,4-Dimethoxyphenyl)-5-methoxy-7-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C29H34O15	622.18977	251660-69-2	knapsack	NA	NA
+FL3FCBCS0006	Embinoidin	C29H34O15	622.18977	88721-10-2	knapsack	NA	NA
+FL3FEAGS0019	Scutellarein 6,7-dimethyl ether 4'-rutinoside	C29H34O15	622.18977	32214-78-1	knapsack	NA	NA
+FL3FEAGS0024	Pectolinarigenin 7-rutinoside	C29H34O15	622.18977	28978-02-1	knapsack	NA	NA
+FL3FEAGS0037	Scutellarein 7,4'-dimethyl ether 6-rhamnosyl-(1->2)-glucoside	C29H34O15	622.18977	149998-38-9	knapsack	NA	NA
+FL5FCBGS0001	Kaempferol 7,4'-dimethyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C29H34O15	622.18977	318498-23-6	knapsack	NA	NA
+FLIA1CGS0005	Cladrin 7-O-laminaribioside	C29H34O15	622.18977	-	knapsack	NA	NA
+FLIA2AGS0005	Afrormosin 7-O-laminaribioside	C29H34O15	622.18977	68862-17-9	knapsack	NA	NA
+FLIA3AGS0003	8-O-Methylretusin 7-O-laminaribioside	C29H34O15	622.18977	56222-46-9	knapsack	NA	NA
+PJ009676	NDDEM 	C22H34N6O13S	622.1905	NA	PeJP	NA	NA
+PJ009677	PPTCCC 	C23H38N6O8S3	622.1914	NA	PeJP	NA	NA
+PJ009678	CCNHF 	C25H34N8O7S2	622.1992	NA	PeJP	NA	NA
+PJ009679	CDDDR 	C21H34N8O12S	622.2017	NA	PeJP	NA	NA
+PJ009680	GDDMW 	C26H34N6O10S	622.2057	NA	PeJP	NA	NA
+PJ009681	GSSDEE 	C22H34N6O15	622.2082	NA	PeJP	NA	NA
+PJ009682	GSPCEM 	C23H38N6O10S2	622.2091	NA	PeJP	NA	NA
+MJ086536	2',4'-Dihydroxyacetophenone; 4'-Me ether, O-[?-L-arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C26H38O17	622.210899	NA	MeJP	NA	NA
+PJ009683	SCNNW 	C25H34N8O9S	622.217	NA	PeJP	NA	NA
+PJ009684	SSSNND 	C21H34N8O14	622.2195	NA	PeJP	NA	NA
+PJ009685	NNNMM 	C22H38N8O9S2	622.2203	NA	PeJP	NA	NA
+PJ009686	GGGGNMM 	C22H38N8O9S2	622.2204	NA	PeJP	NA	NA
+PJ009687	CEWW 	C30H34N6O7S	622.221	NA	PeJP	NA	NA
+PJ009688	SSDEW 	C26H34N6O12	622.2235	NA	PeJP	NA	NA
+PJ009689	SPCMW 	C27H38N6O7S2	622.2244	NA	PeJP	NA	NA
+MJ086537	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086538	8,17-Epoxy-2,3,4,9,14-pentahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, penta-Ac 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086539	8,17-Epoxy-2,3,9,13,14-pentahydroxy-5,11-briaradien-18,7-olide, 11?,12?-Epoxide, 2,3,9,13,14-penta-Ac 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086540	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 16-acetoxy, 2,4,9,14-tetra-Ac 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086541	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-(2-O-cinnamoyl-?-L-rhamnopyranoside) 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086542	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-(3-O-cinnamoyl-?-L-rhamnopyranoside) 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086543	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-(4-O-cinnamoyl-?-L-rhamnopyranoside) 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086544	Azadirachtin; 11-Deoxy, O1-detigloyl 	C30H38O14	622.226155	NA	MeJP	NA	NA
+MJ086545	Neoolivil; 4-O-?-D-Glucopyranoside, 9,9'-di-Ac 	C30H38O14	622.226155	NA	MeJP	NA	NA
+PJ009690	SQEEM 	C23H38N6O12S	622.2269	NA	PeJP	NA	NA
+MJ086546	Fluvibactin 	C31H34N4O10	622.227493	NA	MeJP	NA	NA
+MJ086547	Saframycin R 	C31H34N4O10	622.227493	NA	MeJP	NA	NA
+PJ009691	DYYY 	C31H34N4O10	622.2275	NA	PeJP	NA	NA
+PJ009692	PNMMM 	C24H42N6O7S3	622.2277	NA	PeJP	NA	NA
+MJ086548	Maytansinol; 15R-Hydroxy, 3-Ac 	C30H39ClN2O10	622.229323	NA	MeJP	NA	NA
+MJ086549	Maytansinol; 15S-Hydroxy, 3-Ac 	C30H39ClN2O10	622.229323	NA	MeJP	NA	NA
+MJ086550	Maytansinol; 30-Hydroxy, 3-Ac 	C30H39ClN2O10	622.229323	NA	MeJP	NA	NA
+MJ086551	Punjabine; Carboxylic acid, Me ester 	C36H34N2O8	622.231516	NA	MeJP	NA	NA
+PJ009693	CCNQR 	C21H38N10O8S2	622.2316	NA	PeJP	NA	NA
+PJ009694	NNNDF 	C25H34N8O11	622.2347	NA	PeJP	NA	NA
+PJ009695	GGGGGGDF 	C25H34N8O11	622.2348	NA	PeJP	NA	NA
+PJ009696	SDDMR 	C22H38N8O11S	622.2381	NA	PeJP	NA	NA
+PJ009697	GTEMW 	C27H38N6O9S	622.2421	NA	PeJP	NA	NA
+PJ009698	GSTTEE 	C23H38N6O14	622.2446	NA	PeJP	NA	NA
+PJ009699	VNEMM 	C24H42N6O9S2	622.2455	NA	PeJP	NA	NA
+PJ009700	SNEHH 	C24H34N10O10	622.246	NA	PeJP	NA	NA
+PJ009701	MFYY 	C32H38N4O7S	622.2461	NA	PeJP	NA	NA
+PJ009702	GSSCNR 	C21H38N10O10S	622.2493	NA	PeJP	NA	NA
+MJ086552	Deserpideine; 11-Methoxy, Nb-Oxide 	C33H38N2O10	622.252645	NA	MeJP	NA	NA
+C11294	Irinotecan hydrochloride	C33H38N4O6	622.2558	NA	KEGG	NA	NA
+PJ009703	SSSSQQ 	C22H38N8O13	622.2558	NA	PeJP	NA	NA
+PJ009704	GGSSSTQ 	C22H38N8O13	622.2559	NA	PeJP	NA	NA
+PJ009705	GEMMR 	C23H42N8O8S2	622.2567	NA	PeJP	NA	NA
+PJ009706	TMWW 	C31H38N6O6S	622.2574	NA	PeJP	NA	NA
+PJ009707	STTEW 	C27H38N6O11	622.2599	NA	PeJP	NA	NA
+PJ009708	ACLMW 	C28H42N6O6S2	622.2607	NA	PeJP	NA	NA
+PJ009709	GVMMW 	C28H42N6O6S2	622.2608	NA	PeJP	NA	NA
+PJ009710	GSHHW 	C28H34N10O7	622.2612	NA	PeJP	NA	NA
+MJ086553	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 14-(2-methylbutanoyl), 1,2,6-tri-Ac 	C31H42O13	622.262541	NA	MeJP	NA	NA
+MJ086554	1,6,15-Trihydroxy-3,11(13)-eudesmadien-12-oic acid, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside, Me ester 	C31H42O13	622.262541	NA	MeJP	NA	NA
+MJ086555	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 12-Propanoyl, 2,3,9,14-tetra-Ac 	C31H42O13	622.262541	NA	MeJP	NA	NA
+MJ086556	Helmanticin; 3'-Deangeloyl, 3'-O-[3-(angeloyloxy)-2-hydroxy-2-methylbutanoyl] 	C31H42O13	622.262541	NA	MeJP	NA	NA
+PJ009711	SKEEM 	C24H42N6O11S	622.2632	NA	PeJP	NA	NA
+PJ009712	TDKEM 	C24H42N6O11S	622.2633	NA	PeJP	NA	NA
+PJ009713	AQMHH 	C25H38N10O7S	622.2646	NA	PeJP	NA	NA
+MJ086557	Cepharanthine; N2'-Oxide (?-) 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086558	Dielsine 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086559	Fangchinoline, 1,3,4-Tridehydro, hydroxide 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086560	Oxandrine 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086561	Pseudorepanduline 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086562	Pseudoxandrine 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086563	Somniferine; 3-Me ether 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086564	Tenuipine, O7-De-Me 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086565	Thalmiculimine 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086566	Thalsimidine 	C37H38N2O7	622.267901	NA	MeJP	NA	NA
+MJ086567	Fenfangjine H 	C37H39N2O7(+)	622.267901	NA	MeJP	NA	NA
+PJ009714	CCNKR 	C22H42N10O7S2	622.268	NA	PeJP	NA	NA
+MJ086568	Allosamidin 	C25H42N4O14	622.269752	NA	MeJP	NA	NA
+C05346	Allosamidine	C25H42N4O14	622.2698	NA	KEGG	NA	NA
+C05347	Phosphonoacetohydroxamate	C25H42N4O14	622.2698	NA	KEGG	NA	NA
+C05348	Phosphoglycolohydroxamate	C25H42N4O14	622.2698	NA	KEGG	NA	NA
+PJ009715	GQQQY 	C26H38N8O10	622.2711	NA	PeJP	NA	NA
+PJ009716	MMRW 	C27H42N8O5S2	622.272	NA	PeJP	NA	NA
+PJ009717	STEMR 	C23H42N8O10S	622.2745	NA	PeJP	NA	NA
+PJ009718	GPTYW 	C31H38N6O8	622.2751	NA	PeJP	NA	NA
+PJ009719	ACHHR 	C24H38N12O6S	622.2758	NA	PeJP	NA	NA
+MJ086569	13,17-Epoxy-4(20),11-taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl(E-), 2,9,10-tri-Ac 	C35H42O10	622.277797	NA	MeJP	NA	NA
+MJ086570	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 2,7,13-tri-Ac 	C35H42O10	622.277797	NA	MeJP	NA	NA
+MJ086571	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 7,10,13-tri-Ac 	C35H42O10	622.277797	NA	MeJP	NA	NA
+MJ086572	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 11?,12?-Epoxide, 5-cinnamoyl, 2,9,10-tri-Ac 	C35H42O10	622.277797	NA	MeJP	NA	NA
+MJ086573	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 5-cinnamoyl(E-), 2,7,9-tri-Ac 	C35H42O10	622.277797	NA	MeJP	NA	NA
+MJ086574	Taxuspine C; 1-Hydroxy 	C35H42O10	622.277797	NA	MeJP	NA	NA
+PJ009720	SSLMW 	C28H42N6O8S	622.2785	NA	PeJP	NA	NA
+PJ009721	FFFY 	C36H38N4O6	622.2792	NA	PeJP	NA	NA
+PJ009722	SSSTLE 	C24H42N6O13	622.281	NA	PeJP	NA	NA
+PJ009723	VDKMM 	C25H46N6O8S2	622.2819	NA	PeJP	NA	NA
+PJ009724	GNNRY 	C25H38N10O9	622.2823	NA	PeJP	NA	NA
+PJ009725	GGGNRY 	C25H38N10O9	622.2824	NA	PeJP	NA	NA
+PJ009726	DFRW 	C30H38N8O7	622.2864	NA	PeJP	NA	NA
+PJ009727	GPMRY 	C27H42N8O7S	622.2897	NA	PeJP	NA	NA
+PJ009728	GPPCLH 	C27H42N8O7S	622.2898	NA	PeJP	NA	NA
+PJ009729	SSSSQK 	C23H42N8O12	622.2922	NA	PeJP	NA	NA
+PJ009730	SVMMR 	C24H46N8O7S2	622.2931	NA	PeJP	NA	NA
+PJ009731	SSHHR 	C24H38N12O8	622.2936	NA	PeJP	NA	NA
+PJ009732	SPKEY 	C28H42N6O10	622.2963	NA	PeJP	NA	NA
+MJ086575	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-Hexanoyl, 3-angeloyl, 8-butanoyl, 10-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086576	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(3-Methylbutanoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086577	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-?-D-Glucopyranoside, 6-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086578	4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086579	4,18:8,13-Diepoxy-1,6,11,12-tetrahydroxy-15,16-clerodanolide, 1,12-Bis(methylpropanoyl), 6,11-di-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086580	8,17-Epoxy-2,3,4,9,11,12-hexahydroxy-5,13-briaradien-18,7-olide, 4-Octanoyl, 2,9-di-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086581	Premyrsinol; 5-(2-Methylpropanoyl), 3,7,13,17-tri-Ac 	C32H46O12	622.298926	NA	MeJP	NA	NA
+MJ086582	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-4-O-angeloyl-?-D-fucopyranoside] 	C32H46O12	622.298926	NA	MeJP	NA	NA
+PJ009733	GTTTLM 	C25H46N6O10S	622.2996	NA	PeJP	NA	NA
+PJ009734	AKMHH 	C26H42N10O6S	622.301	NA	PeJP	NA	NA
+MJ086583	12-O-Methylcurine, Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086584	6',7,12'-Trimethoxy-2,2'-dimethyloxyacanth-6-ol, Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086585	Antioquine, 12'-Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086586	Cycleaneonine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086587	Cycleanine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086588	Isotetrandrine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086589	Isothalicberine; Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086590	Limacusine, Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086591	Melanthioidine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086592	O-Methylrepandine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086593	Obaberine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086594	Pakistanamine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086595	Pakistanine; O1-Me 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086596	Rodiasine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086597	Tetrandrine 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086598	Thalicberine; Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086599	Thalmine; Me ether 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086600	Tiliageine; O7-Me 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086601	Warifteine; Di-Me ether, dihydro 	C38H42N2O6	622.304287	NA	MeJP	NA	NA
+MJ086602	Berbamine; 2'-N-Me 	C38H43N2O6(+)	622.304287	NA	MeJP	NA	NA
+MJ086603	Fangchinoline, N2-Me 	C38H43N2O6(+)	622.304287	NA	MeJP	NA	NA
+MJ086604	Oxyacanthine; N2'-Me 	C38H43N2O6(+)	622.304287	NA	MeJP	NA	NA
+C09590	(+)-O-Methylthalicberine	C38H42N2O6	622.3043	NA	KEGG	NA	NA
+C09596	Obaberine	C38H42N2O6	622.3043	NA	KEGG	NA	NA
+C09624	Rodiasine	C38H42N2O6	622.3043	NA	KEGG	NA	NA
+C09654	(+)-Tetrandrine	C38H42N2O6	622.3043	NA	KEGG	NA	NA
+C17060	Isotetrandrine	C38H42N2O6	622.3043	NA	KEGG	NA	NA
+C17387	Cycleanine	C38H42N2O6	622.3043	NA	KEGG	NA	NA
+PJ009735	GVERY 	C27H42N8O9	622.3075	NA	PeJP	NA	NA
+PJ009736	GSTCKK 	C24H46N8O9S	622.3109	NA	PeJP	NA	NA
+MJ086605	Delavayin B 	C32H42N6O7	622.311497	NA	MeJP	NA	NA
+PJ009737	AALYW 	C32H42N6O7	622.3115	NA	PeJP	NA	NA
+PJ009738	PCLKY 	C29H46N6O7S	622.3149	NA	PeJP	NA	NA
+PJ009739	STTTTL 	C25H46N6O12	622.3174	NA	PeJP	NA	NA
+PJ009740	TLKMM 	C26H50N6O7S2	622.3183	NA	PeJP	NA	NA
+PJ009741	ERRY 	C26H42N10O8	622.3187	NA	PeJP	NA	NA
+PJ009742	VRYW 	C31H42N8O6	622.3228	NA	PeJP	NA	NA
+PJ009743	GLMFR 	C28H46N8O6S	622.3261	NA	PeJP	NA	NA
+PJ009744	SSSSKK 	C24H46N8O11	622.3286	NA	PeJP	NA	NA
+PJ009745	ALKEY 	C29H46N6O9	622.3326	NA	PeJP	NA	NA
+PJ009746	VVDKY 	C29H46N6O9	622.3327	NA	PeJP	NA	NA
+MJ086606	Cotylenin A 	C33H50O11	622.335312	NA	MeJP	NA	NA
+MJ086607	Spirosta-5,25(27)-diene-1,2,3,12-tetrol, 3-O-?-D-Galactopyranoside 	C33H50O11	622.335312	NA	MeJP	NA	NA
+PJ009747	ATLRY 	C28H46N8O8	622.3439	NA	PeJP	NA	NA
+MJ086608	Ceanothic acid; 3-(3,4-Dihydroxybenzoyl) 	C37H50O8	622.350568	NA	MeJP	NA	NA
+MJ086609	Kraussianin; 5,28-Dideoxy 	C37H50O8	622.350568	NA	MeJP	NA	NA
+MJ086610	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-(3,4-dimethyl-2-pentenoyl) 	C37H50O8	622.350568	NA	MeJP	NA	NA
+PJ009748	VVKMF 	C30H50N6O6S	622.3513	NA	PeJP	NA	NA
+PJ009749	PTLHR 	C27H46N10O7	622.3551	NA	PeJP	NA	NA
+C11606	NAc-FnorLRF-amide	C32H46N8O5	622.3591	NA	KEGG	NA	NA
+MJ086611	Trienomycin; Trienomycin A 	C36H50N2O7	622.361801	NA	MeJP	NA	NA
+PJ009750	SLLKY 	C30H50N6O8	622.369	NA	PeJP	NA	NA
+MJ086612	1(15?14)-Abeo-3,5,7,8,9,14-hexahydroxy-6(17),11-jatrophadien-15-one, 5,8-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl) 	C34H54O10	622.371697	NA	MeJP	NA	NA
+MJ086613	3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 5,8-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl) 	C34H54O10	622.371697	NA	MeJP	NA	NA
+MJ086614	7,22,24,25-Tetrahydroxyergosta-1,4-dien-3-one, 22-O-?-D-Glucopyranoside 	C34H54O10	622.371697	NA	MeJP	NA	NA
+MJ086615	Strevertenes; Strevertene F 	C34H54O10	622.371697	NA	MeJP	NA	NA
+PJ009751	GKKKY 	C29H50N8O7	622.3803	NA	PeJP	NA	NA
+MJ086616	Deacylantibiotic NF 00659 A; 3-(8-Methyl-2,4,6-decatrienoyl)(all-E) 	C38H54O7	622.386954	NA	MeJP	NA	NA
+PJ009752	VVLHR 	C28H50N10O6	622.3915	NA	PeJP	NA	NA
+MJ086617	Thiothece 484 	C42H54O4	622.40221	NA	MeJP	NA	NA
+PJ009753	APPLLL 	C31H54N6O7	622.4054	NA	PeJP	NA	NA
+MJ086618	12-Oleanene-3,16,21,22,28-pentol, 28-O-?-D-Xylopyranoside 	C35H58O9	622.408083	NA	MeJP	NA	NA
+MJ086619	20,24-Epoxycycloartane-3,12,16,25-tetrol, 3-O-?-D-Xylopyranoside 	C35H58O9	622.408083	NA	MeJP	NA	NA
+MJ086620	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside 	C35H58O9	622.408083	NA	MeJP	NA	NA
+MJ086621	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Xylopyranoside 	C35H58O9	622.408083	NA	MeJP	NA	NA
+MJ086622	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside 	C35H58O9	622.408083	NA	MeJP	NA	NA
+MJ086623	Bafilomycin A1 	C35H58O9	622.408083	NA	MeJP	NA	NA
+MJ086624	Filipin; Filipin I 	C35H58O9	622.408083	NA	MeJP	NA	NA
+PJ009754	LLLKH 	C30H54N8O6	622.4167	NA	PeJP	NA	NA
+MJ086625	20,24-Epoxydammarane-3,25-diol, 3-(3,4-Dihydroxycinnamoyl) 	C39H58O6	622.423339	NA	MeJP	NA	NA
+MJ086626	3,20,28-Lupanetriol, 3-(3,4-Dihydroxycinnamoyl) 	C39H58O6	622.423339	NA	MeJP	NA	NA
+MJ086627	Dammar-24-ene-3,20,26-triol, 3-(3,4-Dihydroxycinnamoyl) (E-) 	C39H58O6	622.423339	NA	MeJP	NA	NA
+MJ086628	Decarbomethoxytetrahydrosecamine 	C40H54N4O2	622.424676	NA	MeJP	NA	NA
+MJ086629	Secomartinelline 	C33H54N10O2	622.443121	NA	MeJP	NA	NA
+MJ086630	2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13-Tetrahydro, 10,11-dihydroxy, 14,15-epoxide, 11-O-?-D-mannopyranoside 	C36H62O8	622.444468	NA	MeJP	NA	NA
+MJ086631	3,16,20-Taraxastanetriol, 3-O-?-D-Glucopyranoside 	C36H62O8	622.444468	NA	MeJP	NA	NA
+MJ086632	3,20,28-Taraxastanetriol, 3-O-?-D-Glucopyranoside 	C36H62O8	622.444468	NA	MeJP	NA	NA
+MJ086633	Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside 	C36H62O8	622.444468	NA	MeJP	NA	NA
+MJ086634	Panaxadiol; 3-O-?-D-Glucopyranoside 	C36H62O8	622.444468	NA	MeJP	NA	NA
+MJ086635	Squamosinin A 	C36H62O8	622.444468	NA	MeJP	NA	NA
+MJ086636	3-(Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yloxy)-12-oleanen-28-oic acid 	C40H62O5	622.459725	NA	MeJP	NA	NA
+MJ086637	Imbricatoloic acid dimer 	C40H62O5	622.459725	NA	MeJP	NA	NA
+MJ086638	2,4-cis-Trilobacinone 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086639	Annogalene 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086640	Asimicin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086641	Asimin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086642	Asitribin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086643	Bullacin B 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086644	Bullatacinone 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086645	Bullatanocin; 12,24-Diepimer, 4-deoxy 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086646	Bullatanocin; 24-Epimer, 4-deoxy 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086647	Bullatanocin; 4-Deoxy 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086648	Calamistrin F 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086649	Coriacin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086650	Gigantecin; 4-Deoxy 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086651	Gigantetronenin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086652	Gigantransenin A 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086653	Gigantransenin C 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086654	Glabranin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086655	Glaucaflorin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086656	Glaucanetin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086657	Gonionenin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086658	Jimenezin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086659	Longimicin A 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086660	Longimicin D 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086661	Motrilin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086662	Muconin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086663	Mucoxin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086664	Narumicin I 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086665	Rollidecin A; 4-Deoxy, stereoisomer 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086666	Rollinone 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086667	Senegalene 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086668	Squamocin F 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086669	Squamosten A 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086670	Squamotacin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086671	Tonkinesin A; 5-Ketone 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086672	Uvaribonianin 	C37H66O7	622.480854	NA	MeJP	NA	NA
+MJ086673	Xylopiacin; 23,24-Didehydro (Z-) 	C37H66O7	622.480854	NA	MeJP	NA	NA
+C08467	Asimicin	C37H66O7	622.4809	NA	KEGG	NA	NA
+C08470	Bullatacinone	C37H66O7	622.4809	NA	KEGG	NA	NA
+C08545	Squamocin	C37H66O7	622.4809	NA	KEGG	NA	NA
+MJ086674	Nonaprenoxanthin; 11',12'-Didehydro 	C45H66O	622.511366	NA	MeJP	NA	NA
+HMDB05206	DG(16:0/20:1(11Z)/0:0)[iso2]	C39H74O5	622.55365	http://www.hmdb.ca/metabolites/HMDB05206	HMDB	NA	NA
+HMDB05212	DG(18:0/18:1(9Z)/0:0)[iso2]	C39H74O5	622.55365	http://www.hmdb.ca/metabolites/HMDB05212	HMDB	NA	NA
+HMDB05220	DG(16:1(9Z)/20:0/0:0)[iso2]	C39H74O5	622.55365	http://www.hmdb.ca/metabolites/HMDB05220	HMDB	NA	NA
+HMDB05206	DG(16:0/20:1(11Z)/0:0)[iso2]	C39H74O5	622.55365	HMDB05206	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05212	DG(18:0/18:1(9Z)/0:0)[iso2]	C39H74O5	622.55365	HMDB05212	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05220	DG(16:1(9Z)/20:0/0:0)[iso2]	C39H74O5	622.55365	HMDB05220	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07029	DG(14:0/22:1(13Z)/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07057	DG(14:1(9Z)/22:0/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07108	DG(16:0/20:1(11Z)/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07136	DG(16:1(9Z)/20:0/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07159	DG(18:0/18:1(11Z)/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07160	DG(18:0/18:1(9Z)/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07187	DG(18:1(11Z)/18:0/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07216	DG(18:1(9Z)/18:0/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07360	DG(20:0/16:1(9Z)/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07388	DG(20:1(11Z)/16:0/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07589	DG(22:0/14:1(9Z)/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+HMDB07617	DG(22:1(13Z)/14:0/0:0)	C39H74O5	622.55365	NA	HMDB2010	NA	NA
+MJ086675	12-Oleanen-3-ol, O-Tridecanoyl 	C43H74O2	622.568881	NA	MeJP	NA	NA
+MJ086676	Vasculyne 	C43H74O2	622.568881	NA	MeJP	NA	NA
+HMDB00658	CE(16:1(9Z))	C43H74O2	622.568909	NA	HMDB2010	NA	NA
+HMDB00658	Cholesteryl palmitoleate	C43H74O2	622.56891	http://www.hmdb.ca/metabolites/HMDB00658	HMDB	NA	NA
+HMDB00658	Cholesteryl palmitoleate	C43H74O2	622.56891	HMDB00658	PFEM_hmdb_metabocards_official	NA	NA
+3601	heparin-binding peptide	WQWRMKALGA	622.8152	MH2+	Inhouse_peptide	NA	peptide
+MJ086677	2-Hexylthioadenosine 5'-(tetrahydrogen triphosphate) 	C16H28N5O13P3S	623.061716	NA	MeJP	NA	NA
+MJ086678	Lamellarin H; 7-Hydroxy, 7,8,9,12,21-penta-Me ether, 20-sulfate 	C30H25NO12S	623.109745	NA	MeJP	NA	NA
+PJ009755	CCMMH 	C22H37N7O6S4	623.1688	NA	PeJP	NA	NA
+PJ009756	DDDEM 	C22H33N5O14S	623.1745	NA	PeJP	NA	NA
+PJ009757	GCCNNN 	C20H33N9O10S2	623.1792	NA	PeJP	NA	NA
+PJ009758	CCDHF 	C25H33N7O8S2	623.1832	NA	PeJP	NA	NA
+MJ086679	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[D-Glucopyranosylamino-(1?6)-6-deoxy-D-glucopyranoside] 	C28H33NO15	623.185019	NA	MeJP	NA	NA
+PJ009759	GSCNDE 	C21H33N7O13S	623.1857	NA	PeJP	NA	NA
+PJ009760	GPCCNM 	C22H37N7O8S3	623.1866	NA	PeJP	NA	NA
+PJ009761	SCNDW 	C25H33N7O10S	623.201	NA	PeJP	NA	NA
+PJ009762	SSSNDD 	C21H33N7O15	623.2035	NA	PeJP	NA	NA
+PJ009763	NNDMM 	C22H37N7O10S2	623.2044	NA	PeJP	NA	NA
+PJ009764	PDDDY 	C26H33N5O13	623.2075	NA	PeJP	NA	NA
+MJ086680	N-[2-Ethyl-3,4-dihydro-4-oxo-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-6-quinazolinyl]-N-(phenylmethyl)-2-thiophenecarboxamide 	C36H29N7O2S	623.210343	NA	MeJP	NA	NA
+PJ009765	SEEEM 	C23H37N5O13S	623.2109	NA	PeJP	NA	NA
+MJ086681	Carzinophilin 	C31H33N3O11	623.211508	NA	MeJP	NA	NA
+PJ009766	PDMMM 	C24H41N5O8S3	623.2117	NA	PeJP	NA	NA
+PJ009767	CCNER 	C21H37N9O9S2	623.2156	NA	PeJP	NA	NA
+PJ009768	NNDDF 	C25H33N7O12	623.2187	NA	PeJP	NA	NA
+PJ009769	GGNDDF 	C25H33N7O12	623.2188	NA	PeJP	NA	NA
+PJ009770	GCQMW 	C26H37N7O7S2	623.2196	NA	PeJP	NA	NA
+PJ009771	GSSNEM 	C22H37N7O12S	623.2221	NA	PeJP	NA	NA
+PJ009772	APCCCK 	C23H41N7O7S3	623.223	NA	PeJP	NA	NA
+PJ009773	CNNHH 	C23H33N11O8S	623.2235	NA	PeJP	NA	NA
+PJ009774	PDDMF 	C27H37N5O10S	623.2261	NA	PeJP	NA	NA
+PJ009775	VDEMM 	C24H41N5O10S2	623.2295	NA	PeJP	NA	NA
+PJ009776	SDEHH 	C24H33N9O11	623.23	NA	PeJP	NA	NA
+PJ009777	PCMHH 	C25H37N9O6S2	623.2308	NA	PeJP	NA	NA
+PJ009778	GCCRW 	C25H37N9O6S2	623.2309	NA	PeJP	NA	NA
+PJ009779	GSSCDR 	C21H37N9O11S	623.2334	NA	PeJP	NA	NA
+PJ009780	SSNMW 	C26H37N7O9S	623.2374	NA	PeJP	NA	NA
+PJ009781	SSSSQE 	C22H37N7O14	623.2399	NA	PeJP	NA	NA
+PJ009782	SQQMM 	C23H41N7O9S2	623.2407	NA	PeJP	NA	NA
+PJ009783	GGCKEM 	C23H41N7O9S2	623.2408	NA	PeJP	NA	NA
+MJ086682	1-(2-Amino-2-oxoethyl)-4-[2-[2-[[2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-1,1-dioxido-2H-naphth[1,8-cd]isothiazol-6-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octane inner salt, (1+) 	C31H38N5O7S(+)	623.241369	NA	MeJP	NA	NA
+PJ009784	SPEEY 	C27H37N5O12	623.2439	NA	PeJP	NA	NA
+PJ009785	AEMHH 	C25H37N9O8S	623.2486	NA	PeJP	NA	NA
+PJ009786	SCQMR 	C22H41N9O8S2	623.252	NA	PeJP	NA	NA
+PJ009787	ACHFF 	C30H37N7O6S	623.2526	NA	PeJP	NA	NA
+PJ009788	GSSSTW 	C26H37N7O11	623.2551	NA	PeJP	NA	NA
+PJ009789	GCKMW 	C27H41N7O6S2	623.256	NA	PeJP	NA	NA
+PJ009790	GSSDKM 	C23H41N7O11S	623.2585	NA	PeJP	NA	NA
+PJ009791	PVDMY 	C28H41N5O9S	623.2625	NA	PeJP	NA	NA
+PJ009792	SCCRR 	C21H41N11O7S2	623.2632	NA	PeJP	NA	NA
+PJ009793	TLEMM 	C25H45N5O9S2	623.2659	NA	PeJP	NA	NA
+PJ009794	GNDRY 	C25H37N9O10	623.2664	NA	PeJP	NA	NA
+PJ009795	GHHHH 	C26H33N13O6	623.2677	NA	PeJP	NA	NA
+PJ009796	GSSSMR 	C22H41N9O10S	623.2697	NA	PeJP	NA	NA
+PJ009797	QQYW 	C30H37N7O8	623.2704	NA	PeJP	NA	NA
+MJ086683	Myrsinol; 7-(3-Pyridinecarbonyl), 3,5-dipropanoyl, 15-Ac 	C34H41NO10	623.273046	NA	MeJP	NA	NA
+PJ009798	STCKW 	C27H41N7O8S	623.2737	NA	PeJP	NA	NA
+PJ009799	GGPCKY 	C27H41N7O8S	623.2738	NA	PeJP	NA	NA
+PJ009800	SSTTTQ 	C23H41N7O13	623.2762	NA	PeJP	NA	NA
+PJ009801	SSSSKE 	C23H41N7O13	623.2763	NA	PeJP	NA	NA
+PJ009802	SQKMM 	C24H45N7O8S2	623.2771	NA	PeJP	NA	NA
+PJ009803	ALEEY 	C28H41N5O11	623.2803	NA	PeJP	NA	NA
+PJ009804	PVMMF 	C29H45N5O6S2	623.2812	NA	PeJP	NA	NA
+PJ009805	GPQHW 	C29H37N9O7	623.2816	NA	PeJP	NA	NA
+PJ009806	VLMMM 	C26H49N5O6S3	623.2845	NA	PeJP	NA	NA
+PJ009807	GNMFR 	C26H41N9O7S	623.285	NA	PeJP	NA	NA
+PJ009808	SSSSTR 	C22H41N9O12	623.2875	NA	PeJP	NA	NA
+MJ086684	Leukotriene C5 	C30H45N3O9S	623.28765	NA	MeJP	NA	NA
+PJ009809	SCKMR 	C23H45N9O7S2	623.2884	NA	PeJP	NA	NA
+MJ086685	Triamcinolone; 16,17-Acetone ketal, 21-O-(3-benzamido-2-methylpropanoyl) 	C35H42FNO8	623.289445	NA	MeJP	NA	NA
+PJ009810	GQKEY 	C27H41N7O10	623.2915	NA	PeJP	NA	NA
+PJ009811	PPHHH 	C28H37N11O6	623.2929	NA	PeJP	NA	NA
+PJ009812	GSTTKM 	C24H45N7O10S	623.2949	NA	PeJP	NA	NA
+PJ009813	PPTFY 	C32H41N5O8	623.2955	NA	PeJP	NA	NA
+PJ009814	PTLMY 	C29H45N5O8S	623.2989	NA	PeJP	NA	NA
+PJ009815	GTQRY 	C26H41N9O9	623.3027	NA	PeJP	NA	NA
+PJ009816	GGATRY 	C26H41N9O9	623.3028	NA	PeJP	NA	NA
+2773	protease HIV 1 inhibitor	LEYSI	623.305	NA	Inhouse_peptide	NA	peptide
+2776	protease HIV 1 inhibitor	LLEYS	623.305	NA	Inhouse_peptide	NA	peptide
+PJ009817	QKYW 	C31H41N7O7	623.3068	NA	PeJP	NA	NA
+MJ086686	Protostreptovaricin I; 10-De-Me 	C35H45NO9	623.309432	NA	MeJP	NA	NA
+PJ009818	AQKMF 	C28H45N7O7S	623.3101	NA	PeJP	NA	NA
+PJ009819	GAAKMF 	C28H45N7O7S	623.3102	NA	PeJP	NA	NA
+3604	heparin-binding peptide	APRKNVRWCT	623.31095	MH2+	Inhouse_peptide	NA	peptide
+PJ009820	SSTTTK 	C24H45N7O12	623.3126	NA	PeJP	NA	NA
+PJ009821	SKKMM 	C25H49N7O7S2	623.3135	NA	PeJP	NA	NA
+PJ009822	SPQHR 	C25H41N11O8	623.314	NA	PeJP	NA	NA
+PJ009823	SLLEY 	C29H45N5O10	623.3167	NA	PeJP	NA	NA
+PJ009824	GPKHW 	C30H41N9O6	623.318	NA	PeJP	NA	NA
+7753	soymorphin-5	YPFVV	623.319	antioxidative	Inhouse_peptide	NA	peptide
+PJ009825	ACKFR 	C27H45N9O6S	623.3214	NA	PeJP	NA	NA
+PJ009826	GKKEY 	C28H45N7O9	623.3279	NA	PeJP	NA	NA
+PJ009827	PVVFY 	C33H45N5O7	623.3319	NA	PeJP	NA	NA
+PJ009828	VVLMY 	C30H49N5O7S	623.3353	NA	PeJP	NA	NA
+PJ009829	GTKRY 	C27H45N9O8	623.3391	NA	PeJP	NA	NA
+PJ009830	GGGALLH 	C27H45N9O8	623.3392	NA	PeJP	NA	NA
+PJ009831	KKYW 	C32H45N7O6	623.3431	NA	PeJP	NA	NA
+PJ009832	PPPKW 	C32H45N7O6	623.3432	NA	PeJP	NA	NA
+MJ086687	4(20),11-Taxadiene-5,9,10,13-tetrol, 5-(3-Methylamino-3-phenylpropanoyl), 9,10,13-tri-Ac 	C36H49NO8	623.345817	NA	MeJP	NA	NA
+PJ009833	AKKMF 	C29H49N7O6S	623.3465	NA	PeJP	NA	NA
+PJ009834	SPKHR 	C26H45N11O7	623.3504	NA	PeJP	NA	NA
+MJ086688	Destruxin D 	C30H49N5O9	623.353028	NA	MeJP	NA	NA
+PJ009835	GVHRR 	C25H45N13O6	623.3616	NA	PeJP	NA	NA
+PJ009836	SVKKY 	C29H49N7O8	623.3643	NA	PeJP	NA	NA
+MJ086689	Apicidin 	C34H49N5O6	623.368284	NA	MeJP	NA	NA
+PJ009837	VVLFF 	C34H49N5O6	623.3683	NA	PeJP	NA	NA
+PJ009838	HRRR 	C24H45N15O5	623.3728	NA	PeJP	NA	NA
+PJ009839	AAPPLR 	C28H49N9O7	623.3755	NA	PeJP	NA	NA
+PJ009840	PPVRR 	C27H49N11O6	623.3868	NA	PeJP	NA	NA
+PJ009841	GPPLLK 	C30H53N7O7	623.4007	NA	PeJP	NA	NA
+MJ086690	Flavucidin 	C34H57NO9	623.403332	NA	MeJP	NA	NA
+MJ086691	Myxovirescin A; Myxovirescin A1, 17-De(methoxymethyl), 17-carboxy 	C34H57NO9	623.403332	NA	MeJP	NA	NA
+MJ086692	Pingbeidinoside 	C34H57NO9	623.403332	NA	MeJP	NA	NA
+PJ009842	VLKKH 	C29H53N9O6	623.4119	NA	PeJP	NA	NA
+EUR777	Lyso PC 22:1 [M+FA-H]-	C30H60NO7P	623.415622	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR777	Lyso PC 22:1 [M+FA-H]-	C30H60NO7P	623.415622	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR777	Lyso PC 22:1 [M+FA-H]-	C30H60NO7P	623.415622	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR777	Lyso PC 22:1 [M+FA-H]-	C30H60NO7P	623.415622	masses lipides attendues	Inhousejuil11	NA	NA
+EUR923	Lyso PE 24:1 [M-H+acetate]-	C29H58NO7P	623.416192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR923	Lyso PE 24:1 [M-H+acetate]-	C29H58NO7P	623.416192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR923	Lyso PE 24:1 [M-H+acetate]-	C29H58NO7P	623.416192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR923	Lyso PE 24:1 [M-H+acetate]-	C29H58NO7P	623.416192	masses lipides attendues	Inhousejuil11	NA	NA
+MJ086693	Popolohuanone A 	C42H57NO3	623.433844	NA	MeJP	NA	NA
+MJ086694	Popolohuanone D 	C42H57NO3	623.433844	NA	MeJP	NA	NA
+C15756	Antibiotic TA	C35H61NO8	623.4397	NA	KEGG	NA	NA
+MJ086695	Myxovirescin A; Myxovirescin A1, Epimer 	C35H61NO8	623.439717	NA	MeJP	NA	NA
+MJ086696	Juliprosine; 2,3-Didehydro 	C40H70N3O2(+)	623.538978	NA	MeJP	NA	NA
+MJ086697	Variceramides; Variceramide 3 	C39H77NO4	623.585259	NA	MeJP	NA	NA
+HMDB11765	Cer(d18:0/22:0)	C40H81NO3	623.621643	NA	HMDB2010	NA	NA
+8102	peptide derived from yellowfin sole frame protein (Limanda aspera)	RPDFDLEPPY	623.7839	MH2+	Inhouse_peptide	NA	peptide
+MJ086698	Pelargoniin C 	C26H24O18	624.096263	NA	MeJP	NA	NA
+MJ086699	Phyllanthusiin C; De(hexahydroxydiphenoyl) 	C26H24O18	624.096263	NA	MeJP	NA	NA
+PJ009843	GCCCCH 	C20H32N8O7S4	624.1277	NA	PeJP	NA	NA
+FL3FAADS0026	Isoorientin 3'-O-glucuronide	C27H28O17	624.13264	64052-95-5	knapsack	NA	NA
+FL3FACGS0031	Luteolin 7-glucuronide-3'-glucoside	C27H28O17	624.13264	69631-14-7	knapsack	NA	NA
+FL3FACGS0037	Luteolin 7-galacturonide-4'-glucoside	C27H28O17	624.13264	126207-52-1	knapsack	NA	NA
+FL3FACGS0078	Luteolin 7-glucoside-3'-glucuronide;5-[7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid	C27H28O17	624.13264	470478-50-3	knapsack	NA	NA
+FL5FAAGL0018	Kaempferol 3-glucoside-7-glucuronide	C27H28O17	624.13264	134981-93-4	knapsack	NA	NA
+FL5FAAGS0031	Kaempferol 3-glucuronide-7-glucoside	C27H28O17	624.13264	96400-38-3	knapsack	NA	NA
+MJ086700	3',4',5,7-Tetrahydroxyflavone; 3'-O-?-D-Glucopyranoside, 7-O-?-D-glucuronopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086701	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucopyranoside, 7-O-?-D-galacturonopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086702	3',4',5,7-Tetrahydroxyflavone; 7-O-?-D-Glucuronopyranoside, 4'-O-?-D-glucopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086703	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-D-Galactopyranosyl-?-D-glucuronopyranoside] 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086704	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086705	Astragalin; 7-O-?-D-Glucuronopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086706	Isoorientin; 3'-O-?-D-Glucuronopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086707	Populnin; 3-O-?-D-Glucuronopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086708	Quercitrin; 7-O-?-D-Glucuronopyranoside 	C27H28O17	624.132649	NA	MeJP	NA	NA
+MJ086709	thallicin E 	C34H28N2O6S2	624.138878	NA	MeJP	NA	NA
+MJ086710	3,4-Dihydro-5-(2-pyridinyl)-2H-pyrrole-2-carboxylic acid, Fe complex (3:1) 	C30H28FeN6O6	624.141974	NA	MeJP	NA	NA
+MJ086711	7a,8a,15b,15c-Tetrahydro-1,7a,8a,15-tetrahydroxy-6,10-diphenyl-7H,9H-diphenaleno[1,2-b:1,2-d]furan-7,9-dione; 4',4''-Dihydroxy 	C38H24O9	624.142032	NA	MeJP	NA	NA
+FL3FACCS0037	Isoorientin 2''-O-(E)-ferulate;trans-Feruloyl-2''-isoorientin	C31H28O14	624.1479	60077-49-8	knapsack	NA	NA
+FL3FACCS0046	2''-O-Feruloylorientin	C31H28O14	624.1479	861691-33-0	knapsack	NA	NA
+FL3FACGS0063	Luteolin 7-(6''-ferulylglucoside)	C31H28O14	624.1479	111150-41-5	knapsack	NA	NA
+FL5FAAGL0070	Kaempferol 3-(6''-ferulylglucoside);5,7-Dihydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C31H28O14	624.1479	69200-62-0	knapsack	NA	NA
+FL5FADGL0038	Isorhamnetin 3-(6''-p-coumarylglucoside)	C31H28O14	624.1479	84534-24-7<BR>110351-14-9	knapsack	NA	NA
+FL5FADGS0019	Isorhamnetin 7-(6''-p-coumarylglucoside);Buddlenoid B;3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C31H28O14	624.1479	142768-55-6	knapsack	NA	NA
+FL5FEAGS0022	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one	C31H28O14	624.1479	235741-38-5	knapsack	NA	NA
+MJ086712	3',4',5,7-Tetrahydroxyflavone; 7-O-[4-Hydroxy-3-methoxycinnamoyl-(1?6)-?-D-glucopyranoside] 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086713	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086714	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086715	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-(4-Hydroxycinnamoyl) 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086716	Ergochromes; Ergochrome AC 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086717	Ergochromes; Ergochrome BC 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086718	Isoorientin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl) 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086719	Isoorientin; 4''-Me ether, 6''-O-(3,4-dihydroxycinnamoyl)(E-) 	C31H28O14	624.147905	NA	MeJP	NA	NA
+MJ086720	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C31H29O14(+)	624.147905	NA	MeJP	NA	NA
+MJ086721	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(1??)-?-D-glucopyranoside] 	C31H29O14(+)	624.147905	NA	MeJP	NA	NA
+PJ009844	PPCCCC 	C22H36N6O7S4	624.1529	NA	PeJP	NA	NA
+MJ086722	1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-?-L-Arabinopyranosyl 	C35H28O11	624.163161	NA	MeJP	NA	NA
+MJ086723	1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'R-C-?-D-Xylopyranoside 	C35H28O11	624.163161	NA	MeJP	NA	NA
+PJ009845	GCCNND 	C20H32N8O11S2	624.1632	NA	PeJP	NA	NA
+FL1ABGGS0001	Subulin	C28H32O16	624.16903	66274-45-1	knapsack	NA	NA
+FL3FADCS0010	Isoscoparin 2''-O-glucoside	C28H32O16	624.16903	97605-25-9	knapsack	NA	NA
+FL3FADCS0013	Scoparin 2''-O-glucoside	C28H32O16	624.16903	124902-15-4	knapsack	NA	NA
+FL3FADCS0014	Stellarin 2	C28H32O16	624.16903	63975-58-6	knapsack	NA	NA
+FL3FADCS0023	Scoparin 6''-O-glucoside	C28H32O16	624.16903	605652-87-7	knapsack	NA	NA
+FL3FADCS0025	Isoscoparin 4'-O-glucoside	C28H32O16	624.16903	-	knapsack	NA	NA
+FL3FADDS0001	Isoscoparin 7-O-glucoside	C28H32O16	624.16903	50307-26-1	knapsack	NA	NA
+FL3FADDS0002	Knoutinoside	C28H32O16	624.16903	53178-02-2	knapsack	NA	NA
+FL3FADDS0003	Chrysoeriol 7-O-8-C-bisglucoside;Knautoside;Episcoparin 7-O-glucoside	C28H32O16	624.16903	41758-48-9	knapsack	NA	NA
+FL3FADGS0010	Luteolin 3'-methyl ether 7-mannosyl-(1->2)-alloside	C28H32O16	624.16903	-	knapsack	NA	NA
+FL3FADGS0011	Luteolin 3'-methyl ether 7-allosyl-(1->2)-glucoside	C28H32O16	624.16903	84323-22-8	knapsack	NA	NA
+FL3FADGS0013	Luteolin 3'-methyl ether 5,4'-diglucoside	C28H32O16	624.16903	74336-87-1	knapsack	NA	NA
+FL3FADGS0015	Luteolin 3'-methyl ether 7,4'-diglucoside	C28H32O16	624.16903	36451-45-3	knapsack	NA	NA
+FL3FAECS0005	6,8-Di-C-glucopyranosyldiosmetin	C28H32O16	624.16903	98813-28-6	knapsack	NA	NA
+FL3FAECS0006	3,8-Di-C-glucopyranosyldiosmetin	C28H32O16	624.16903	97218-32-1	knapsack	NA	NA
+FL3FAEGS0007	Luteolin 4'-methyl ether 7-sophoroside	C28H32O16	624.16903	75243-37-7	knapsack	NA	NA
+FL3FAICS0003	6-C-Glucopyranosyl-8-C-arabinopyranosyltricin	C28H32O16	624.16903	80738-69-8	knapsack	NA	NA
+FL3FAICS0004	6-C-Arabinopyranosyl-8-C-glucopyranosyltricin	C28H32O16	624.16903	80779-90-4	knapsack	NA	NA
+FL3FCCCS0003	Luteoayamenin	C28H32O16	624.16903	77795-23-4	knapsack	NA	NA
+FL3FCCDS0001	Swertiajaponin 3'-O-glucoside	C28H32O16	624.16903	76149-31-0	knapsack	NA	NA
+FL3FCCDS0004	6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside	C28H32O16	624.16903	137052-34-7	knapsack	NA	NA
+FL3FCGGS0001	Tricetin 7-methyl ether 3'-glucoside-5'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O16	624.16903	261912-73-6	knapsack	NA	NA
+FL3FFAGS0012	Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)-glucoside	C28H32O16	624.16903	143061-76-1	knapsack	NA	NA
+FL3FFAGS0018	Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O16	624.16903	113791-55-2	knapsack	NA	NA
+FL5FABGL0002	Kaempferide 3,7-diglucoside	C28H32O16	624.16903	89764-19-2	knapsack	NA	NA
+FL5FADGA0006	Isorhamnetin 3-rhamnosyl-(1->2)-galactoside	C28H32O16	624.16903	128508-13-4	knapsack	NA	NA
+FL5FADGA0007	Isorhamnetin 3-robinobioside	C28H32O16	624.16903	53584-69-3	knapsack	NA	NA
+FL5FADGA0009	Isorhamnetin 3-galactoside-7-rhamnoside;Quercetin 3'-methyl ether 3-galactoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-(beta-D-galactopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O16	624.16903	142130-50-5	knapsack	NA	NA
+FL5FADGL0010	Isorhamnetin 3-neohesperidoside	C28H32O16	624.16903	55033-90-4	knapsack	NA	NA
+FL5FADGL0011	Narcissin	C28H32O16	624.16903	604-80-8	knapsack	NA	NA
+FL5FADGL0015	Isorhamnetin 3-glucoside-7-rhamnoside	C28H32O16	624.16903	17331-71-4	knapsack	NA	NA
+FL5FADGL0017	Isorhamnetin 3-glucoside-4'-rhamnoside	C28H32O16	624.16903	28289-13-6	knapsack	NA	NA
+FL5FADGS0014	Isorhamnetin 3-rhamnoside-7-glucoside	C28H32O16	624.16903	123131-41-9	knapsack	NA	NA
+FL5FADGS0017	Isorhamnetin 4'-neohesperidoside;Crosatoside A;Quercetin 3'-methyl ether 4'-rhamnosyl-(1->2)-glucoside	C28H32O16	624.16903	139742-27-1	knapsack	NA	NA
+FL5FAEGA0003	Tamarixetin 3-robinobioside	C28H32O16	624.16903	137129-37-4	knapsack	NA	NA
+FL5FAEGL0002	Tamarixetin 3-rutinoside	C28H32O16	624.16903	20550-05-4	knapsack	NA	NA
+FL5FAEGS0004	Tamarixetin 7-rutinoside	C28H32O16	624.16903	14265-53-3	knapsack	NA	NA
+FL5FAEGS0005	Tamarixetin 3-neohesperidoside;Quercetin 4'-methyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O16	624.16903	261159-41-5	knapsack	NA	NA
+FL5FAIGS0004	Syringetin 3-rhamnosyl-(1->5)-alpha-L-arabinofuranoside;Myricetin 3',5'-dimethyl ether 3-rhamnosyl-(1->5)-alpha-L-arabinofuranoside;3-[[5-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinofuranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C28H32O16	624.16903	213314-28-4	knapsack	NA	NA
+FL5FAJGS0002	Mearnsetin 3,7-dirhamnoside	C28H32O16	624.16903	137196-20-4	knapsack	NA	NA
+FL5FBAGA0002	Kaempferol 5-methyl ether 3-galactoside-4'-glucoside	C28H32O16	624.16903	142741-21-7	knapsack	NA	NA
+FL5FBCGL0002	Azaleatin 3-rutinoside	C28H32O16	624.16903	63764-79-4	knapsack	NA	NA
+FL5FCAGA0003	Rhamnocitrin 3-glucosyl-(1->2)-galactoside	C28H32O16	624.16903	117047-50-4	knapsack	NA	NA
+FL5FCAGA0004	Rhamnocitrin 3-galactoside-4'-glucoside	C28H32O16	624.16903	101959-23-3	knapsack	NA	NA
+FL5FCAGL0005	Rhamnocitrin 3,4'-diglucoside	C28H32O16	624.16903	116183-66-5	knapsack	NA	NA
+FL5FCCGA0004	Rhamnetin 3-robinobioside;Quercetin 7-methyl ether 3-robinobioside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O16	624.16903	137121-78-9	knapsack	NA	NA
+FL5FCCGA0005	Rhamnetin 3-galactoside-3'-rhamnoside	C28H32O16	624.16903	93252-35-8	knapsack	NA	NA
+FL5FCCGL0002	Rhamnetin 3-neohesperidoside	C28H32O16	624.16903	101330-77-2	knapsack	NA	NA
+FL5FCCGL0003	Rhamnetin 3-rutinoside	C28H32O16	624.16903	34202-83-0	knapsack	NA	NA
+FL5FCDGS0002	Rhamnazin 3-glucosyl-(1->5)-alpha-L-arabinofuranoside;Quercetin 7,3'-dimethyl ether 3-glucosyl-(1->5)-alpha-L-arabinofuranoside;3-[(5-O-beta-D-Glucopyranosyl-alpha-L-arabinofuranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C28H32O16	624.16903	244775-54-0	knapsack	NA	NA
+FL5FCDGS0003	Rhamnazin 3-xylosyl-(1->2)-glucoside;Quercetin 7,3'-dimethyl ether 3-xylosyl-(1->2)-glucoside	C28H32O16	624.16903	-	knapsack	NA	NA
+FL5FCGGS0002	Myricetin 7-methyl ether 3,4'-di-O-alpha-L-rhamnopyranoside	C28H32O16	624.16903	230283-40-6	knapsack	NA	NA
+FL5FDEGS0002	Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1->6)-glucoside	C28H32O16	624.16903	-	knapsack	NA	NA
+FL5FDJGS0002	Myricetin 3,4'-dimethyl ether 7-rhamnoside-3'-xyloside	C28H32O16	624.16903	93373-12-7	knapsack	NA	NA
+FL5FEAGA0002	6-Methoxykaempferol 3-robinobioside	C28H32O16	624.16903	90706-64-2	knapsack	NA	NA
+FL5FECGS0011	Patuletin 3,7-dirhamnoside	C28H32O16	624.16903	78468-41-4	knapsack	NA	NA
+FL5FFAGL0006	Sexangularetin 3-neohesperidoside;8-Methoxykaempferol 3-O-beta-D-(2''-O-alpha-L-rhamnopyranosyl)glucopyranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one	C28H32O16	624.16903	151029-71-9	knapsack	NA	NA
+FL5FFAGL0007	Sexangularetin 3-rutinoside	C28H32O16	624.16903	64803-70-9	knapsack	NA	NA
+FL5FFAGL0009	Sexangularetin 3-glucoside-7-rhamnoside	C28H32O16	624.16903	47580-51-1	knapsack	NA	NA
+FL5FFAGS0018	Sexangularetin 3-rhamnoside-7-glucoside	C28H32O16	624.16903	85966-35-4	knapsack	NA	NA
+FLIAEAGS0003	Tectorigenin 7-O-gentiobioside	C28H32O16	624.16903	67604-94-8	knapsack	NA	NA
+MJ086724	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086725	1,2,6,8-Tetrahydroxyxanthone; 6-Me ether, 2-O-[4-O-acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086726	2',3',4',6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-neohesperidoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086727	2',3,5,7-Tetrahydroxyflavone; 2'-Me ether, diglucoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086728	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086729	3',4',5,7-Tetrahydroxy-6-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086730	3',4',5-Trihydroxy-7-methoxyflavone; 4'-O-[?-D-Glucofuranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086731	3',4',5-Trihydroxy-7-methoxyflavone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086732	3',4,4',5',6-Pentahydroxyaurone; 4-Me ether, 6-O-[?-L-rhamnopyranosyl(1?4)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086733	3',5,5',7-Tetrahydroxy-3,4'-dimethoxyflavone; 7-O-?-L-Rhamnopyranoside, 3'-O-?-D-xylopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086734	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086735	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086736	3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3,4'-di-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086737	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086738	3,3',4',5,7-Pentahydroxy-6-rhamnosylflavone; 7-Me ether, 3-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086739	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside, 3'-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086740	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086741	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086742	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086743	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086744	3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3,7-Di-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086745	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086746	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086747	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086748	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086749	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086750	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?5)-?-L-arabinofuranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086751	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside, 7-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086752	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Glucofuranoside, 4'-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086753	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086754	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086755	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086756	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086757	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086758	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086759	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086760	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086761	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086762	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Neohesperidoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086763	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Rutinoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086764	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086765	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?5)-?-D-arabinofuranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086766	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086767	3,4',5-Trihydroxy-7-methoxyflavone; 3,4'-Di-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086768	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside, 4'-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086769	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086770	3,4',7-Trihydroxy-5-methoxyflavone; 3-O-?-D-Galactopyranoside, 4'-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086771	3,5,7-Trihydroxy-4'-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086772	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086773	3,8-Diglucopyranosyl-3',4',5,7-tetrahydroxyflavone; 4'-Me ether 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086774	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-L-Rhamnopyranosyl 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086775	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-L-Rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086776	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnofuranosyl 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086777	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-?-L-Rhamnopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086778	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; ?''-O-?-L-Rhamnopyranosyl 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086779	4',5,7-Trihydroxy-3'-methoxyflavone; 4',5-Di-O-glucoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086780	4',5,7-Trihydroxy-3'-methoxyflavone; 4',7-Di-O-glucoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086781	4',5,7-Trihydroxy-3'-methoxyflavone; 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086782	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086783	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086784	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(??)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086785	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-allopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086786	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[Galactosyl-(1??)-galactoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086787	4',5,7-Trihydroxy-6-methoxyisoflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086788	5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086789	6-Arabinopyranosyl-8-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086790	6-Glucopyranosyl-3,3',4',5,7-pentahydroxyflavone; 3'-Me, 3-O-?-L-rhamnofuranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086791	8-Arabinopyranosyl-6-glucopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086792	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 2''-O-?-D-Glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086793	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 7-O-?-D-Glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086794	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, 7-O-?-D-Glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086795	Isoscoparin; 2''-O-?-D-Glucopyranosyl 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086796	Isoscoparin; 7-O-?-D-Glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086797	Lucenin 2; 3'-Me ether 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086798	Lucenin 2; 4'-Me ether 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086799	Swertiajaponin; 2''-O-?-D-Glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086800	Swertiajaponin; 3'-O-?-D-Glucopyranoside 	C28H32O16	624.169034	NA	MeJP	NA	NA
+MJ086801	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086802	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086803	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086804	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086805	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086806	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-D-Galactopyranoside, 5-O-?-D-glucopyranoside 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086807	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086808	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+MJ086809	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H33O16(+)	624.169035	NA	MeJP	NA	NA
+PJ009846	GSCDDE 	C21H32N6O14S	624.1698	NA	PeJP	NA	NA
+PJ009847	GPCCDM 	C22H36N6O9S3	624.1706	NA	PeJP	NA	NA
+C03184	Zinc protoporphyrin-9	C34H32N4O4Zn	624.1715	NA	KEGG	NA	NA
+C03185	[Glycogen-synthase D]	C34H32N4O4Zn	624.1715	NA	KEGG	NA	NA
+C03186	[Glycogen-synthase I]	C34H32N4O4Zn	624.1715	NA	KEGG	NA	NA
+MJ086810	Diazipine 	C29H26F6N4O5	624.180739	NA	MeJP	NA	NA
+MJ086811	4-(4-Hydroxyphenyl)-2-butanone; O-[4-Hydroxy-E-cinnamoyl-(?6)-[3,4,5-trihydroxycinnamoyl-(?2)]-?-D-glucopyranoside] 	C32H32O13	624.184291	NA	MeJP	NA	NA
+MJ086812	Haedoxan A; 4''-Demethoxy 	C32H32O13	624.184291	NA	MeJP	NA	NA
+PJ009848	SCDDW 	C25H32N6O11S	624.185	NA	PeJP	NA	NA
+PJ009849	SSSDDD 	C21H32N6O16	624.1875	NA	PeJP	NA	NA
+PJ009850	NDDMM 	C22H36N6O11S2	624.1884	NA	PeJP	NA	NA
+MJ086813	Bisnafide 	C32H28N6O8	624.196861	NA	MeJP	NA	NA
+MJ086814	Schizantherin P; 7-Epimer, dibenzoyl 	C36H32O10	624.199547	NA	MeJP	NA	NA
+PJ009851	CCDER 	C21H36N8O10S2	624.1996	NA	PeJP	NA	NA
+MJ086815	Nikkomycin I 	C25H32N6O13	624.202735	NA	MeJP	NA	NA
+MJ086816	Nikkomycin J 	C25H32N6O13	624.202735	NA	MeJP	NA	NA
+MJ086817	Nikkomycin pseudo-J 	C25H32N6O13	624.202735	NA	MeJP	NA	NA
+PJ009852	NDDDF 	C25H32N6O13	624.2028	NA	PeJP	NA	NA
+PJ009853	GCEMW 	C26H36N6O8S2	624.2036	NA	PeJP	NA	NA
+C10456	Forsythiaside	C29H36O15	624.2054	NA	KEGG	NA	NA
+C10501	Verbascoside	C29H36O15	624.2054	NA	KEGG	NA	NA
+C17393	Methyl hesperidin	C29H36O15	624.2054	NA	KEGG	NA	NA
+C17678	Magnoloside A	C29H36O15	624.2054	NA	KEGG	NA	NA
+MJ086818	2',3,4,4',6'-Pentahydroxychalcone; 2',4-Di-Me ether, 4'-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086819	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086820	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086821	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086822	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-Z-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086823	3',4',5,7-Tetrahydroxyflavanone, 3',4'-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086824	4',5,7-Trihydroxy-6,8-dimethylflavanone, 5,7-Di-O-?-D-Glucopyranoside 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086825	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxycinnamoyl-(?4)-?-D-xylopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086826	Forsythiaside 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086827	Magnoloside A 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086828	Pedicularioside G 	C29H36O15	624.20542	NA	MeJP	NA	NA
+MJ086829	Unedoside; 6-O-[2-O-Acetyl-3-O-benzoyl-?-L-rhamnopyranoside] 	C29H36O15	624.20542	NA	MeJP	NA	NA
+FL1CBEGS0001	3,4',6'-Trihydroxy-4,2'-dimethoxychalcone 4'-O-rutinoside	C29H36O15	624.20542	24292-52-2	knapsack	NA	NA
+FL2FAAGM0003	Farrerol 5,7-di-O-glucoside	C29H36O15	624.20542	-	knapsack	NA	NA
+FL2FAFGS0002	5,7-Dihydroxy-3',4'-dimethoxyflavanone 7-rutinoside;Homoesperetin 7-rutinoside	C29H36O15	624.20542	28034-80-2	knapsack	NA	NA
+PJ009854	GSSDEM 	C22H36N6O13S	624.2061	NA	PeJP	NA	NA
+PJ009855	GSPCMM 	C23H40N6O8S3	624.207	NA	PeJP	NA	NA
+PJ009856	CNDHH 	C23H32N10O9S	624.2075	NA	PeJP	NA	NA
+MJ086830	Buntanbismine 	C35H32N2O9	624.21078	NA	MeJP	NA	NA
+PJ009857	SSSCNQ 	C21H36N8O12S	624.2174	NA	PeJP	NA	NA
+PJ009858	CMWW 	C30H36N6O5S2	624.2189	NA	PeJP	NA	NA
+MJ086831	Nomilinic acid; Lactone, O-de-Ac, O-(3,4,5-trihydroxybenzoyl) 	C33H36O12	624.220676	NA	MeJP	NA	NA
+PJ009859	SSDMW 	C26H36N6O10S	624.2214	NA	PeJP	NA	NA
+PJ009860	SSSSEE 	C22H36N6O15	624.2239	NA	PeJP	NA	NA
+PJ009861	SQEMM 	C23H40N6O10S2	624.2248	NA	PeJP	NA	NA
+PJ009862	CNNQF 	C25H36N8O9S	624.2326	NA	PeJP	NA	NA
+MJ086832	11(15?1)-Abeo-20-chloro-11-taxene-2,4,5,7,9,10,13,15-octol, 9-Benzoyl, 2,7-di-Ac 	C31H41ClO11	624.233739	NA	MeJP	NA	NA
+PJ009863	GSSSSSN 	C21H36N8O14	624.2351	NA	PeJP	NA	NA
+PJ009864	SCEMR 	C22H40N8O9S2	624.236	NA	PeJP	NA	NA
+PJ009865	GPCYW 	C30H36N6O7S	624.2366	NA	PeJP	NA	NA
+PJ009866	GQEEY 	C26H36N6O12	624.2391	NA	PeJP	NA	NA
+PJ009867	GGAEEY 	C26H36N6O12	624.2392	NA	PeJP	NA	NA
+PJ009868	GTMMW 	C27H40N6O7S2	624.24	NA	PeJP	NA	NA
+MJ086833	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 2,7,9,10,11-Penta-Ac 	C30H40O14	624.241805	NA	MeJP	NA	NA
+MJ086834	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 2,7,9,10,19-Penta-Ac 	C30H40O14	624.241805	NA	MeJP	NA	NA
+MJ086835	2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 2,9,12,14,16-Penta-Ac 	C30H40O14	624.241805	NA	MeJP	NA	NA
+PJ009869	GSTTEM 	C23H40N6O12S	624.2425	NA	PeJP	NA	NA
+MJ086836	Protochelin 	C31H36N4O10	624.243143	NA	MeJP	NA	NA
+PJ009870	VNMMM 	C24H44N6O7S3	624.2434	NA	PeJP	NA	NA
+PJ009871	SNMHH 	C24H36N10O8S	624.2438	NA	PeJP	NA	NA
+PJ009872	GGSMHH 	C24H36N10O8S	624.2439	NA	PeJP	NA	NA
+MJ086837	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9,9'-Dicarboxylic acid, 3',5-di-Me ether, bis[2-(4-hydroxyphenyl)ethylamide] 	C36H36N2O8	624.247166	NA	MeJP	NA	NA
+MJ086838	Cannabisin B, 3',6-Di-Me ether 	C36H36N2O8	624.247166	NA	MeJP	NA	NA
+MJ086839	Cannabisin E; 7-Deoxy, 7,8-didehydro 	C36H36N2O8	624.247166	NA	MeJP	NA	NA
+MJ086840	Cannabisin G 	C36H36N2O8	624.247166	NA	MeJP	NA	NA
+MJ086841	Grossamide 	C36H36N2O8	624.247166	NA	MeJP	NA	NA
+PJ009873	GDDRY 	C25H36N8O11	624.2504	NA	PeJP	NA	NA
+PJ009874	PCCFR 	C26H40N8O6S2	624.2512	NA	PeJP	NA	NA
+PJ009875	SSSCNK 	C22H40N8O11S	624.2537	NA	PeJP	NA	NA
+PJ009876	GGSSSCK 	C22H40N8O11S	624.2538	NA	PeJP	NA	NA
+PJ009877	QEYW 	C30H36N6O9	624.2544	NA	PeJP	NA	NA
+PJ009878	GMMMR 	C23H44N8O6S3	624.2546	NA	PeJP	NA	NA
+PJ009879	STTMW 	C27H40N6O9S	624.2578	NA	PeJP	NA	NA
+MJ086842	Cryptophycin 19 	C34H41ClN2O7	624.260229	NA	MeJP	NA	NA
+MJ086843	Cryptophycin 28 	C34H41ClN2O7	624.260229	NA	MeJP	NA	NA
+MJ086844	Cryptophycin 29 	C34H41ClN2O7	624.260229	NA	MeJP	NA	NA
+MJ086845	Cryptophycin 49 	C34H41ClN2O7	624.260229	NA	MeJP	NA	NA
+MJ086846	Cryptophycin 4; 6'-Chloro, O-de-Me 	C34H41ClN2O7	624.260229	NA	MeJP	NA	NA
+PJ009880	SSTTTE 	C23H40N6O14	624.2603	NA	PeJP	NA	NA
+PJ009881	SKEMM 	C24H44N6O9S2	624.2611	NA	PeJP	NA	NA
+PJ009882	GSSTHH 	C24H36N10O10	624.2616	NA	PeJP	NA	NA
+C17431	Kanokoside D	C27H44O16	624.2629	NA	KEGG	NA	NA
+MJ086847	Patrinoside; 8-Epimer, 6'-O-?-D-glucopyranosyl 	C27H44O16	624.262935	NA	MeJP	NA	NA
+PJ009883	GPEHW 	C29H36N8O8	624.2656	NA	PeJP	NA	NA
+MJ086848	Reserpine, Nb-Oxide 	C33H40N2O10	624.268295	NA	MeJP	NA	NA
+PJ009884	SPCRY 	C26H40N8O8S	624.269	NA	PeJP	NA	NA
+PJ009885	AYWW 	C34H36N6O6	624.2697	NA	PeJP	NA	NA
+MJ086849	Bisnorponcitrin 	C38H40O8	624.272318	NA	MeJP	NA	NA
+MJ086850	Khelmarin C 	C38H40O8	624.272318	NA	MeJP	NA	NA
+PJ009886	STMMR 	C23H44N8O8S2	624.2724	NA	PeJP	NA	NA
+PJ009887	AAMFW 	C31H40N6O6S	624.273	NA	PeJP	NA	NA
+MJ086851	Guianensine 	C39H36N4O4	624.273655	NA	MeJP	NA	NA
+PJ009888	GKEEY 	C27H40N6O11	624.2755	NA	PeJP	NA	NA
+PJ009889	PCKMF 	C28H44N6O6S2	624.2764	NA	PeJP	NA	NA
+PJ009890	GQHHF 	C28H36N10O7	624.2769	NA	PeJP	NA	NA
+MJ086852	3,7-Dimethyl-2,5-octadiene-1,7-diol, 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl(?4)]-?-D-glucopyranoside] 	C31H44O13	624.278191	NA	MeJP	NA	NA
+MJ086853	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C31H44O13	624.278191	NA	MeJP	NA	NA
+MJ086854	3,7-Dimethyl-2,7-octadiene-1,6-diol, 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside] 	C31H44O13	624.278191	NA	MeJP	NA	NA
+PJ009891	SSSTLM 	C24H44N6O11S	624.2789	NA	PeJP	NA	NA
+PJ009892	CLKMM 	C25H48N6O6S3	624.2798	NA	PeJP	NA	NA
+PJ009893	TCKHH 	C25H40N10O7S	624.2802	NA	PeJP	NA	NA
+PJ009894	PHWW 	C33H36N8O5	624.2809	NA	PeJP	NA	NA
+MJ086855	Berbamine; N2'-Oxide (?-) 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086856	Fangchinoline, 2'-?-N-Oxide 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086857	Fangchinoline, 2'?-N-Oxide 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086858	Fangchinoline, 2'?-N-Oxide 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086859	Fangchinoline, 2?-N-Oxide 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086860	Jhelumine; O7'-Me ether 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086861	Limacusine, N2'-Oxide(?-) 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086862	Obaberine; N2-De-Me, N2'-oxide (?-) 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086863	Thalidezine; N2-De-Me 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086864	Thaligosidine 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086865	Thaliphylline; 2'-N-Oxide (?) 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086866	Thalisopidine 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086867	Thalmine; 5-Hydroxy 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+MJ086868	Thalrugosidine; N2-De-Me 	C37H40N2O7	624.283551	NA	MeJP	NA	NA
+PJ009895	SNNKY 	C26H40N8O10	624.2867	NA	PeJP	NA	NA
+PJ009896	GTERY 	C26H40N8O10	624.2868	NA	PeJP	NA	NA
+PJ009897	KEYW 	C31H40N6O8	624.2908	NA	PeJP	NA	NA
+MJ086869	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5-Cinnamoyl, 7,9,13-tri-Ac 	C35H44O10	624.293447	NA	MeJP	NA	NA
+MJ086870	4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 5-cinnamoyl, 2,10,13-tri-Ac 	C35H44O10	624.293447	NA	MeJP	NA	NA
+MJ086871	4(20),11-Taxadiene-2,5,9,10,13-pentol, 4?,20-Epoxide, 5-cinnamoyl, 2,9,13-tri-Ac 	C35H44O10	624.293447	NA	MeJP	NA	NA
+MJ086872	Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 1,3-di-Ac 	C35H44O10	624.293447	NA	MeJP	NA	NA
+PJ009898	SPKMY 	C28H44N6O8S	624.2941	NA	PeJP	NA	NA
+PJ009899	GAALMY 	C28H44N6O8S	624.2942	NA	PeJP	NA	NA
+PJ009900	TTTTTT 	C24H44N6O13	624.2966	NA	PeJP	NA	NA
+3282	NA	NGRAHA	624.2969	celiac toxic	Inhouse_peptide	NA	peptide
+PJ009901	SPEHR 	C25H40N10O9	624.298	NA	PeJP	NA	NA
+PJ009902	TRYW 	C30H40N8O7	624.302	NA	PeJP	NA	NA
+PJ009903	GVMRY 	C27H44N8O7S	624.3054	NA	PeJP	NA	NA
+PJ009904	GQQHR 	C24H40N12O8	624.3092	NA	PeJP	NA	NA
+PJ009905	GGGAAHR 	C24H40N12O8	624.3093	NA	PeJP	NA	NA
+PJ009906	SVKEY 	C28H44N6O10	624.3119	NA	PeJP	NA	NA
+PJ009907	GKHHF 	C29H40N10O6	624.3133	NA	PeJP	NA	NA
+MJ086873	1,10-Epoxy-11-germacrene-2,3,4,5,8,9-hexol, 11,13-Epoxide, 3,9-diangeloyl, 8-(2-methylbutanoyl), 5-Ac 	C32H48O12	624.314577	NA	MeJP	NA	NA
+MJ086874	14-Labdene-3,6,8,12,13,20-hexol, Hexa-Ac 	C32H48O12	624.314577	NA	MeJP	NA	NA
+MJ086875	15,16-Epoxy-8,13(16),14-labdatrien-19-oic acid; [?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C32H48O12	624.314577	NA	MeJP	NA	NA
+MJ086876	4,18:11,16:15,16-Triepoxy-2,6,19-clerodanetriol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac 	C32H48O12	624.314577	NA	MeJP	NA	NA
+MJ086877	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[2-Methylbutanoyl-(?4)-?-D-fucopyranosyl-(1?3)-4-O-angeloyl-6-deoxy-?-D-glucopyranoside] 	C32H48O12	624.314577	NA	MeJP	NA	NA
+MJ086878	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-Methylbutanoyl-(?4)-?-D-fucopyranosyl-(1?3)-4-O-angeloyl-6-deoxy-?-D-glucopyranoside] 	C32H48O12	624.314577	NA	MeJP	NA	NA
+PJ009908	MRRY 	C26H44N10O6S	624.3166	NA	PeJP	NA	NA
+2711	erythromycin inhibitor	MFSKL	624.3184	NA	Inhouse_peptide	NA	peptide
+C09419	Dauricine	C38H44N2O6	624.3199	NA	KEGG	NA	NA
+MJ086879	Cuspidaline; O7'-Me 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086880	Dauricine 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086881	Neferine 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086882	Neothalibrine 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086883	Pisopowetine 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086884	Pisopowiaridine; 12'-Me ether 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086885	Popisonine; 6'-Me ether 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086886	Popisonine; 6-Me ether 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086887	Popisonine; O7'-De-Me, 6,6'-Di-Me ether 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+MJ086888	Thalibrine 	C38H44N2O6	624.319937	NA	MeJP	NA	NA
+PJ009909	SSLRY 	C27H44N8O9	624.3231	NA	PeJP	NA	NA
+PJ009910	GGLLEH 	C27H44N8O9	624.3232	NA	PeJP	NA	NA
+PJ009911	APKFY 	C32H44N6O7	624.3272	NA	PeJP	NA	NA
+PJ009912	ALKMY 	C29H48N6O7S	624.3305	NA	PeJP	NA	NA
+PJ009913	PPPVCL 	C29H48N6O7S	624.3306	NA	PeJP	NA	NA
+PJ009914	ALEHR 	C26H44N10O8	624.3344	NA	PeJP	NA	NA
+PJ009915	GLLHW 	C31H44N8O6	624.3384	NA	PeJP	NA	NA
+MJ086889	Acobretine A; N-Ac 	C35H48N2O8	624.341066	NA	MeJP	NA	NA
+MJ086890	Ansatrienin B; 20,23-Quinone, N-deacyl, N-(4-methylpentanoyl) 	C35H48N2O8	624.341066	NA	MeJP	NA	NA
+PJ009916	PLKMH 	C28H48N8O6S	624.3418	NA	PeJP	NA	NA
+MJ086891	Huratoxin; 6,7-Deepoxy, 6-hydroxy, 7-chloro, 2',3',4',5'-tetrahydro 	C34H53ClO8	624.342896	NA	MeJP	NA	NA
+PJ009917	GQKHR 	C25H44N12O7	624.3456	NA	PeJP	NA	NA
+PJ009918	TTLKY 	C29H48N6O9	624.3483	NA	PeJP	NA	NA
+PJ009919	FFRR 	C30H44N10O5	624.3496	NA	PeJP	NA	NA
+MJ086892	Caribenolide I 	C33H52O11	624.350962	NA	MeJP	NA	NA
+MJ086893	Cotylenin C 	C33H52O11	624.350962	NA	MeJP	NA	NA
+MJ086894	Petunioside C 	C33H52O11	624.350962	NA	MeJP	NA	NA
+PJ009920	VLKEH 	C28H48N8O8	624.3595	NA	PeJP	NA	NA
+PJ009921	PPLLW 	C33H48N6O6	624.3636	NA	PeJP	NA	NA
+MJ086895	2,3,27-Trihydroxy-12-lupen-28-oic acid, 3-(3,4-Dihydroxybenzoyl) 	C37H52O8	624.366218	NA	MeJP	NA	NA
+MJ086896	3,4-Didehydro-1,2-dihydro-8'-apo-?-carotenoic acid; O-Mannopyranoside, Me ester 	C37H52O8	624.366218	NA	MeJP	NA	NA
+MJ086897	Hoveine 	C38H48N4O4	624.367556	NA	MeJP	NA	NA
+PJ009922	SLLHR 	C27H48N10O7	624.3708	NA	PeJP	NA	NA
+MJ086898	Octacosamicin A 	C31H52N4O9	624.373429	NA	MeJP	NA	NA
+MJ086899	Superstolide A 	C36H52N2O7	624.377452	NA	MeJP	NA	NA
+MJ086900	Ferulinolone 	C41H52O5	624.381474	NA	MeJP	NA	NA
+PJ009923	GKKHR 	C26H48N12O6	624.382	NA	PeJP	NA	NA
+PJ009924	SPPVLL 	C30H52N6O8	624.3847	NA	PeJP	NA	NA
+MJ086901	Homochainin 	C34H56O10	624.387348	NA	MeJP	NA	NA
+MJ086902	17-Hydroxyandrost-4-en-3-one; 17?-form, 17-Heptanoyl, 3-benziloylhydrazone 	C40H52N2O4	624.392708	NA	MeJP	NA	NA
+PJ009925	GPPVKK 	C29H52N8O7	624.3959	NA	PeJP	NA	NA
+MJ086903	Cicloxolone 	C38H56O7	624.402604	NA	MeJP	NA	NA
+PJ009926	PPKKR 	C28H52N10O6	624.4072	NA	PeJP	NA	NA
+MJ086904	Sporidesmolides; Sporidesmolide I, N6-De-Me 	C32H56N4O8	624.409814	NA	MeJP	NA	NA
+MJ086905	Tirilazad 	C38H52N6O2	624.415174	NA	MeJP	NA	NA
+MJ086906	Oscillol; 2,2'-Diketone, 1,1'-di-Me ether 	C42H56O4	624.41786	NA	MeJP	NA	NA
+C15885	2,2'-Diketospirilloxanthin	C42H56O4	624.4179	NA	KEGG	NA	NA
+PJ009927	GPLLLL 	C31H56N6O7	624.4211	NA	PeJP	NA	NA
+MJ086907	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside 	C35H60O9	624.423733	NA	MeJP	NA	NA
+MJ086908	Annogalene; 20-Epimer, 23,24-dihydro 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086909	Annoglacin A 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086910	Annomontacin 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086911	Asitrilobin D 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086912	Goniotetracin 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086913	Laherradurin 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086914	Rollinecin A 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086915	Squamoxinone 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086916	Tonkinesin A 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086917	Xylomaticinone 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086918	Xylopiacin 	C37H68O7	624.496504	NA	MeJP	NA	NA
+MJ086919	Batzelladine F 	C37H64N6O2	624.509075	NA	MeJP	NA	NA
+MJ086920	Minalemines; Minalemine C 	C31H64N10O3	624.516285	NA	MeJP	NA	NA
+MJ086921	Nonaprenoxanthin 	C45H68O	624.527016	NA	MeJP	NA	NA
+MJ086922	1,3,5-Tridodecanoylbenzene 	C42H72O3	624.548146	NA	MeJP	NA	NA
+MJ086923	20-Taraxastene-3,16-diol, 3-Dodecanoyl 	C42H72O3	624.548146	NA	MeJP	NA	NA
+HMDB05202	DG(16:0/20:0/0:0)[iso2]	C39H76O5	624.56927	http://www.hmdb.ca/metabolites/HMDB05202	HMDB	NA	NA
+HMDB05210	DG(18:0/18:0/0:0)[rac]	C39H76O5	624.56927	http://www.hmdb.ca/metabolites/HMDB05210	HMDB	NA	NA
+HMDB05202	DG(16:0/20:0/0:0)[iso2]	C39H76O5	624.56927	HMDB05202	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05210	DG(18:0/18:0/0:0)[rac]	C39H76O5	624.56927	HMDB05210	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07028	DG(14:0/22:0/0:0)	C39H76O5	624.569275	NA	HMDB2010	NA	NA
+HMDB07107	DG(16:0/20:0/0:0)	C39H76O5	624.569275	NA	HMDB2010	NA	NA
+HMDB07158	DG(18:0/18:0/0:0)	C39H76O5	624.569275	NA	HMDB2010	NA	NA
+HMDB07359	DG(20:0/16:0/0:0)	C39H76O5	624.569275	NA	HMDB2010	NA	NA
+HMDB07588	DG(22:0/14:0/0:0)	C39H76O5	624.569275	NA	HMDB2010	NA	NA
+C11251	Cholesteryl palmitate	C43H76O2	624.5845	NA	KEGG	NA	NA
+HMDB00885	Cholesteryl palmitic acid	C43H76O2	624.58453	http://www.hmdb.ca/metabolites/HMDB00885	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00885	Cholesteryl palmitic acid	C43H76O2	624.58453	http://www.hmdb.ca/metabolites/HMDB00885	HMDB	NA	NA
+HMDB00885	Cholesteryl palmitic acid	C43H76O2	624.58453	http://www.hmdb.ca/metabolites/HMDB00885	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00885	Cholesteryl palmitic acid	C43H76O2	624.58453	HMDB00885	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00885	CE(16:0)	C43H76O2	624.584534	NA	HMDB2010	NA	NA
+MJ086924	Rafoxanide 	C19H11Cl2I2NO3	624.820535	NA	MeJP	NA	NA
+8271	f(64-75) of bovine kappa casein	PAAVRSPAQILQ	624.85	MH2+	Inhouse_peptide	NA	peptide
+MJ086925	Vancomycinic acid 	C26H25Cl2N3O11	625.086614	NA	MeJP	NA	NA
+MJ086926	Lamellarin H; 7-Hydroxy, 5,6-dihydro, 7,8,9,12,21-penta-Me ether, 20-sulfate 	C30H27NO12S	625.125396	NA	MeJP	NA	NA
+MJ086927	Lamellarin H; 7-Methoxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether, 20-sulfate 	C30H27NO12S	625.125396	NA	MeJP	NA	NA
+MJ086928	1-[[[1-[3-[2-(2,3-Dichlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid 	C33H33Cl2NO3S2	625.12789	NA	MeJP	NA	NA
+FL7AACGL0010	Cyanidin 3-(2''-glucuronosylglucoside)	C27H29O17	625.14047	-	knapsack	NA	NA
+PJ009928	GCCNDD 	C20H31N7O12S2	625.1472	NA	PeJP	NA	NA
+PJ009929	GGGCCDD 	C20H31N7O12S2	625.1473	NA	PeJP	NA	NA
+FL7AADGL0014	Peonidin 3-(6''-caffeylgucoside)	C31H29O14	625.15573	164584-53-6<BR>68795-38-0	knapsack	NA	NA
+FL7AAHGL0011	Petunidin 3-(6''-p-coumarylglucoside)	C31H29O14	625.15573	51939-69-6<BR>71991-89-4	knapsack	NA	NA
+FL7ARXGL0005	Malvidin 3-glucoside-4-vinylcatechol	C31H29O14	625.15573	403982-47-8	knapsack	NA	NA
+PJ009930	SPCCCN 	C21H35N7O9S3	625.1659	NA	PeJP	NA	NA
+PJ009931	DDDMM 	C22H35N5O12S2	625.1724	NA	PeJP	NA	NA
+FL7AADGA0002	Peonidin 3-galactoside-5-glucoside	C28H33O16	625.17686	-	knapsack	NA	NA
+FL7AADGL0004	Peonidin 3-sophoroside	C28H33O16	625.17686	-	knapsack	NA	NA
+FL7AADGL0005	Peonidin 3-gentiobioside	C28H33O16	625.17686	-	knapsack	NA	NA
+FL7AADGL0007	Peonin;Peonidin 3,5-diglucoside;Peonidin 3-glucoside-5-glucoside	C28H33O16	625.17686	132-37-6	knapsack	NA	NA
+FL7AAHGL0004	Petunidin 3-rutinoside	C28H33O16	625.17686	39824-84-5	knapsack	NA	NA
+FL7AAHGS0003	Petunidin 3-rhamnoside-5-glucoside	C28H33O16	625.17686	53925-30-7	knapsack	NA	NA
+FL7AAIGL0024	Malvidin 3-O-beta-D-sambubioside	C28H33O16	625.17686	260257-35-0	knapsack	NA	NA
+PJ009932	GSCNDM 	C21H35N7O11S2	625.1836	NA	PeJP	NA	NA
+PJ009933	DDDDF 	C25H31N5O14	625.1868	NA	PeJP	NA	NA
+PJ009934	CDDHH 	C23H31N9O10S	625.1915	NA	PeJP	NA	NA
+PJ009935	SCCQW 	C25H35N7O8S2	625.1989	NA	PeJP	NA	NA
+PJ009936	SSSCNE 	C21H35N7O13S	625.2014	NA	PeJP	NA	NA
+PJ009937	CNQMM 	C22H39N7O8S3	625.2022	NA	PeJP	NA	NA
+PJ009938	GGCQMM 	C22H39N7O8S3	625.2023	NA	PeJP	NA	NA
+MJ086929	Cyclothialidines; Cyclothialidine C 	C26H35N5O11S	625.205377	NA	MeJP	NA	NA
+PJ009939	PCDEY 	C26H35N5O11S	625.2054	NA	PeJP	NA	NA
+PJ009940	SEEMM 	C23H39N5O11S2	625.2088	NA	PeJP	NA	NA
+PJ009941	CCNMR 	C21H39N9O7S3	625.2135	NA	PeJP	NA	NA
+PJ009942	GSSSCW 	C25H35N7O10S	625.2166	NA	PeJP	NA	NA
+PJ009943	GGGGCEF 	C25H35N7O10S	625.2167	NA	PeJP	NA	NA
+PJ009944	GSSSSSD 	C21H35N7O15	625.2191	NA	PeJP	NA	NA
+PJ009945	GSSNMM 	C22H39N7O10S2	625.22	NA	PeJP	NA	NA
+PJ009946	GEEEY 	C26H35N5O13	625.2232	NA	PeJP	NA	NA
+PJ009947	PCEMF 	C27H39N5O8S2	625.224	NA	PeJP	NA	NA
+PJ009948	VDMMM 	C24H43N5O8S3	625.2274	NA	PeJP	NA	NA
+PJ009949	SDMHH 	C24H35N9O9S	625.2279	NA	PeJP	NA	NA
+PJ009950	GSTCCR 	C21H39N9O9S2	625.2312	NA	PeJP	NA	NA
+PJ009951	GCNFW 	C29H35N7O7S	625.2319	NA	PeJP	NA	NA
+PJ009952	SNNEY 	C25H35N7O12	625.2344	NA	PeJP	NA	NA
+PJ009953	SCCKW 	C26H39N7O7S2	625.2353	NA	PeJP	NA	NA
+PJ009954	SSTTCQ 	C22H39N7O12S	625.2377	NA	PeJP	NA	NA
+PJ009955	SSSSQM 	C22H39N7O12S	625.2378	NA	PeJP	NA	NA
+PJ009956	EEYW 	C30H35N5O10	625.2384	NA	PeJP	NA	NA
+PJ009957	CNKMM 	C23H43N7O7S3	625.2386	NA	PeJP	NA	NA
+PJ009958	SPEMY 	C27H39N5O10S	625.2418	NA	PeJP	NA	NA
+PJ009959	GSPNDH 	C24H35N9O11	625.2456	NA	PeJP	NA	NA
+PJ009960	AMMHH 	C25H39N9O6S2	625.2465	NA	PeJP	NA	NA
+PJ009961	SSSSCR 	C21H39N9O11S	625.249	NA	PeJP	NA	NA
+PJ009962	GSNYW 	C29H35N7O9	625.2496	NA	PeJP	NA	NA
+PJ009963	GGGSYW 	C29H35N7O9	625.2497	NA	PeJP	NA	NA
+PJ009964	GQQMY 	C26H39N7O9S	625.253	NA	PeJP	NA	NA
+PJ009965	GSSSSTT 	C22H39N7O14	625.2555	NA	PeJP	NA	NA
+PJ009966	GSTCKM 	C23H43N7O9S2	625.2564	NA	PeJP	NA	NA
+PJ009967	NNNQH 	C23H35N11O10	625.2569	NA	PeJP	NA	NA
+PJ009968	PPCFY 	C31H39N5O7S	625.257	NA	PeJP	NA	NA
+PJ009969	SVEEY 	C27H39N5O12	625.2595	NA	PeJP	NA	NA
+PJ009970	PCLMY 	C28H43N5O7S2	625.2604	NA	PeJP	NA	NA
+PJ009971	GEHHF 	C28H35N9O8	625.2609	NA	PeJP	NA	NA
+PJ009972	TLMMM 	C25H47N5O7S3	625.2638	NA	PeJP	NA	NA
+PJ009973	GCQRY 	C25H39N9O8S	625.2642	NA	PeJP	NA	NA
+PJ009974	GGACRY 	C25H39N9O8S	625.2643	NA	PeJP	NA	NA
+PJ009975	SNDKY 	C26H39N7O11	625.2708	NA	PeJP	NA	NA
+PJ009976	SSSSKM 	C23H43N7O11S	625.2741	NA	PeJP	NA	NA
+PJ009977	SPPYY 	C31H39N5O9	625.2748	NA	PeJP	NA	NA
+PJ009978	PCNHR 	C24H39N11O7S	625.2755	NA	PeJP	NA	NA
+PJ009979	HHFW 	C32H35N9O5	625.2761	NA	PeJP	NA	NA
+PJ009980	ALEMY 	C28H43N5O9S	625.2782	NA	PeJP	NA	NA
+PJ009981	SSNRY 	C25H39N9O10	625.282	NA	PeJP	NA	NA
+PJ009982	GQQFF 	C30H39N7O8	625.286	NA	PeJP	NA	NA
+MJ086930	Trideacetylpyripyropene A; 3,17,19-Tripropanoyl 	C34H43NO10	625.288696	NA	MeJP	NA	NA
+PJ009983	GQKMY 	C27H43N7O8S	625.2894	NA	PeJP	NA	NA
+PJ009984	GQEHR 	C24H39N11O9	625.2932	NA	PeJP	NA	NA
+PJ009985	GGAEHR 	C24H39N11O9	625.2933	NA	PeJP	NA	NA
+PJ009986	PCLFF 	C32H43N5O6S	625.2934	NA	PeJP	NA	NA
+PJ009987	TTLEY 	C28H43N5O11	625.2959	NA	PeJP	NA	NA
+PJ009988	VVMMF 	C29H47N5O6S2	625.2968	NA	PeJP	NA	NA
+PJ009989	GVQHW 	C29H39N9O7	625.2973	NA	PeJP	NA	NA
+3791	NA	YPFSL	625.299	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ009990	GCKRY 	C26H43N9O7S	625.3006	NA	PeJP	NA	NA
+PJ009991	GPPPCR 	C26H43N9O7S	625.3007	NA	PeJP	NA	NA
+HMDB01198	Leukotriene C4	C30H47N3O9S	625.30328	http://www.hmdb.ca/metabolites/HMDB01198	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01198	Leukotriene C4	C30H47N3O9S	625.30328	http://www.hmdb.ca/metabolites/HMDB01198	HMDB	NA	NA
+HMDB05095	11-trans-Leukotriene C4	C30H47N3O9S	625.30328	http://www.hmdb.ca/metabolites/HMDB05095	HMDB	NA	NA
+HMDB01198	Leukotriene C4	C30H47N3O9S	625.30328	http://www.hmdb.ca/metabolites/HMDB01198	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01198	Leukotriene C4	C30H47N3O9S	625.30328	HMDB01198	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05095	11-trans-Leukotriene C4	C30H47N3O9S	625.30328	HMDB05095	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01198	Leukotriene C4	C30H47N3O9S	625.303284	NA	HMDB2010	NA	NA
+HMDB05095	11-trans-Leukotriene C4	C30H47N3O9S	625.303284	NA	HMDB2010	NA	NA
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.3033	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.3033	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.3033	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.3033	Wishlist	Inhousejuil11	NA	NA
+C02166	Leukotriene C4	C30H47N3O9S	625.3033	NA	KEGG	NA	NA
+MJ086931	Leukotriene C4 	C30H47N3O9S	625.3033	NA	MeJP	NA	NA
+MetaCyc03993	leukotriene-C4 []	C30H47N3O9S1	625.303301	72025-60-6	metacyc	NA	NA
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	HMDB	NA	NA
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	Inhouse_PFEM	NA	NA
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR151	LeukotrieneC4(LTC4)	C30H47N3O9S	625.303304	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+PJ009992	STQKY 	C27H43N7O10	625.3072	NA	PeJP	NA	NA
+PJ009993	QHRW 	C28H39N11O6	625.3085	NA	PeJP	NA	NA
+MJ086932	Rubellidin 2.1 	C32H43N5O8	625.311163	NA	MeJP	NA	NA
+PJ009994	APLYY 	C32H43N5O8	625.3112	NA	PeJP	NA	NA
+PJ009995	SLLMY 	C29H47N5O8S	625.3145	NA	PeJP	NA	NA
+PJ009996	VTLMY 	C29H47N5O8S	625.3146	NA	PeJP	NA	NA
+PJ009997	PPQER 	C26H43N9O9	625.3184	NA	PeJP	NA	NA
+PJ009998	PPVQW 	C31H43N7O7	625.3224	NA	PeJP	NA	NA
+MJ086933	Rhizoxin 	C35H47NO9	625.325082	NA	MeJP	NA	NA
+PJ009999	GKKMY 	C28H47N7O7S	625.3258	NA	PeJP	NA	NA
+PJ010000	GKEHR 	C25H43N11O8	625.3296	NA	PeJP	NA	NA
+PJ010001	APPRW 	C30H43N9O6	625.3337	NA	PeJP	NA	NA
+PJ010002	GTHRR 	C24H43N13O7	625.3409	NA	PeJP	NA	NA
+PJ010003	STKKY 	C28H47N7O9	625.3435	NA	PeJP	NA	NA
+PJ010004	GPPVKE 	C28H47N7O9	625.3436	NA	PeJP	NA	NA
+3213	Casoxin from bovine kappa-casein fr:25-34	YIPIQYVLSR	625.3445	MH2+	Inhouse_peptide	NA	peptide
+3215	ileum contracting peptide	YIPIQYVLSR	625.3445	MH2+	Inhouse_peptide	NA	peptide
+3216	casoxin C	YIPIQYVLSR	625.3445	MH2+	Inhouse_peptide	NA	peptide
+3495	ACE inhibitor from k-casein	YIPIQYVLSR	625.3445	MH2+	Inhouse_peptide	NA	peptide
+PJ010005	KHRW 	C29H43N11O5	625.3449	NA	PeJP	NA	NA
+HMDB02579	Glycochenodeoxycholic acid 3-glucuronide	C32H51NO11	625.34619	http://www.hmdb.ca/metabolites/HMDB02579	HMDB	NA	NA
+HMDB02579	Glycochenodeoxycholic acid 3-glucuronide	C32H51NO11	625.34619	HMDB02579	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02579	Glycochenodeoxycholic acid 3-glucuronide	C32H51NO11	625.346191	NA	HMDB2010	NA	NA
+PJ010006	ALLFY 	C33H47N5O7	625.3476	NA	PeJP	NA	NA
+PJ010007	PPKER 	C27H47N9O8	625.3548	NA	PeJP	NA	NA
+PJ010008	PPVKW 	C32H47N7O6	625.3588	NA	PeJP	NA	NA
+PJ010009	LLLMH 	C29H51N7O6S	625.3622	NA	PeJP	NA	NA
+PJ010010	PPTRR 	C26H47N11O7	625.366	NA	PeJP	NA	NA
+MJ086934	Destruxin Ed1 	C30H51N5O9	625.368678	NA	MeJP	NA	NA
+PJ010011	APPTLK 	C29H51N7O8	625.3799	NA	PeJP	NA	NA
+PJ010012	GGGPLLL 	C29H51N7O8	625.38	NA	PeJP	NA	NA
+MJ086935	Antibiotic M 2845; O3-Ac 	C33H55NO10	625.382596	NA	MeJP	NA	NA
+MJ086936	Apicidin; 8'-Alcohol 	C34H51N5O6	625.383934	NA	MeJP	NA	NA
+MJ086937	Apicidin; 8'-Deoxo, 9'-hydroxy 	C34H51N5O6	625.383934	NA	MeJP	NA	NA
+PJ010013	PLLQR 	C28H51N9O7	625.3912	NA	PeJP	NA	NA
+MJ086938	Enniatin B; N-De-Me 	C32H55N3O9	625.39383	NA	MeJP	NA	NA
+PJ010014	PVVRR 	C27H51N11O6	625.4024	NA	PeJP	NA	NA
+PJ010015	GPVLLK 	C30H55N7O7	625.4163	NA	PeJP	NA	NA
+PJ010016	PLLKR 	C29H55N9O6	625.4276	NA	PeJP	NA	NA
+EUR772	Lyso PC 22:0 [M+FA-H]-	C30H62NO7P	625.431272	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR772	Lyso PC 22:0 [M+FA-H]-	C30H62NO7P	625.431272	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR772	Lyso PC 22:0 [M+FA-H]-	C30H62NO7P	625.431272	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR772	Lyso PC 22:0 [M+FA-H]-	C30H62NO7P	625.431272	masses lipides attendues	Inhousejuil11	NA	NA
+MJ086939	Myxovirescin A; Myxovirescin A1, 4-Epimer, 9-alcohol 	C35H63NO8	625.455367	NA	MeJP	NA	NA
+MJ086940	Myxovirescin A; Myxovirescin A1, 9-Alcohol 	C35H63NO8	625.455367	NA	MeJP	NA	NA
+MJ086941	Juliprosine 	C40H72N3O2(+)	625.554628	NA	MeJP	NA	NA
+MJ086942	2-Amino-9-docosene-1,3,4-triol, N-(2R-Hydroxyhexadecanoyl) 	C38H75NO5	625.564524	NA	MeJP	NA	NA
+MJ086943	Rubrolide E; 3',3'',5',5''-Tetrabromo, 2-chloro 	C17H7Br4ClO4	625.676637	NA	MeJP	NA	NA
+MJ086944	4-Hydroxy-3,5-diiodobenzenesulfonic acid; Hg salt 	C6H2HgI2O4S	625.746941	NA	MeJP	NA	NA
+MJ086945	Hexakis[?-(acetato-O:O')]-?4-oxotetrazinc 	C12H18O13Zn4	625.791326	NA	MeJP	NA	NA
+MJ086946	Isoplagiochin C; 2,6',8',10',12,14'-Hexachloro 	C28H16Cl6O4	625.917975	NA	MeJP	NA	NA
+MJ086947	Calafianin 	C22H20Br2N4O8	625.964788	NA	MeJP	NA	NA
+MJ086948	Ellagic acid; 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H26O18	626.111914	NA	MeJP	NA	NA
+MJ086949	Micacocidins; Cu complex 	C27H37CuN3O4S3	626.124219	NA	MeJP	NA	NA
+MJ086950	3,4',5,6,7-Pentahydroxyflavone; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C30H26O15	626.12717	NA	MeJP	NA	NA
+MJ086951	Hyperin; 6''-O-(3,4-Dihydroxycinnamoyl) 	C30H26O15	626.12717	NA	MeJP	NA	NA
+FL3FECGS0045	Spicoside A;6-Hydroxyluteolin 7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-4H-1-benzopyran-4-one	C30H26O15	626.12717	651317-77-0	knapsack	NA	NA
+FL5FACGA0033	Quercetin 3-(6''-caffeylgalactoside)	C30H26O15	626.12717	84575-22-4	knapsack	NA	NA
+FL5FAGGL0011	Myricetin 3'-O-(6''-p-coumaroyl)glucoside	C30H26O15	626.12717	603136-05-6	knapsack	NA	NA
+FL5FAGGN0001	Nympholide A	C30H26O15	626.12717	604004-58-2	knapsack	NA	NA
+FL5FAGGN0002	Nympholide B	C30H26O15	626.12717	604004-59-3	knapsack	NA	NA
+FL5FAGGS0030	Myricetin 3-(6''-p-coumaroylglucoside)	C30H26O15	626.12717	-	knapsack	NA	NA
+FL5FEAGS0017	6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside)	C30H26O15	626.12717	150900-97-3	knapsack	NA	NA
+PJ010017	GCCDDD 	C20H30N6O13S2	626.1313	NA	PeJP	NA	NA
+MJ086952	2,2',4,4',5,5',7,7'-Octahydroxy-3,3'-dimethyl-1,1'-bianthraquinone; 5,5',7,7'-Tetra-Me ether 	C34H26O12	626.142426	NA	MeJP	NA	NA
+MJ086953	Mesuabixanthone A; 5-Me ether 	C34H26O12	626.142426	NA	MeJP	NA	NA
+MJ086954	Rugulosin, 2,2'-Diepimer, 2,2'-di-Ac 	C34H26O12	626.142426	NA	MeJP	NA	NA
+FL3FAGCS0005	6,8-Di-C-glucopyranosyltricetin	C27H30O17	626.14829	76491-11-7	knapsack	NA	NA
+FL3FAGGS0005	Tricetin 3',5'-diglucoside	C27H30O17	626.14829	93373-19-4	knapsack	NA	NA
+FL3FECGS0017	6-Hydroxyluteolin 7-sophoroside	C27H30O17	626.14829	93289-75-9	knapsack	NA	NA
+FL3FECGS0018	6-Hydroxyluteolin 7-gentiobioside	C27H30O17	626.14829	92122-75-3	knapsack	NA	NA
+FL3FFCGS0005	8-Hydroxyluteolin 7-allosyl-(1->2)-glucoside	C27H30O17	626.14829	93252-28-9	knapsack	NA	NA
+FL3FFCGS0006	8-Hydroxyluteolin 8-gentiobioside	C27H30O17	626.14829	115921-09-0	knapsack	NA	NA
+FL3FFCGS0018	Hypolaetin 7-sophoroside;8-Hydroxyluteolin 7-sophoroside;7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4H-1-benzopyran-4-one	C27H30O17	626.14829	151363-22-3	knapsack	NA	NA
+FL5FACGA0005	Quercetin 3-galactosyl-(1->4)-galactoside	C27H30O17	626.14829	63292-82-0	knapsack	NA	NA
+FL5FACGA0006	Quercetin 3-glucosyl-(1->2)-galactoside	C27H30O17	626.14829	95043-15-5	knapsack	NA	NA
+FL5FACGA0007	Quercetin 3-glucosyl-(1->4)-galactoside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O17	626.14829	167278-46-8	knapsack	NA	NA
+FL5FACGA0008	Quercetin 3-glucosyl-(1->6)-galactoside	C27H30O17	626.14829	90366-14-6	knapsack	NA	NA
+FL5FACGA0011	Quercetin 3,5-digalactoside	C27H30O17	626.14829	-	knapsack	NA	NA
+FL5FACGA0013	Quercetin 3-galactoside-7-glucoside	C27H30O17	626.14829	56782-99-1<BR>174175-14-5	knapsack	NA	NA
+FL5FACGL0007	Quercetin 3-galactosyl-(1->2)-glucoside	C27H30O17	626.14829	152695-31-3	knapsack	NA	NA
+FL5FACGL0008	Quercetin 3-galactosyl-(1->6)-glucoside	C27H30O17	626.14829	94595-85-4	knapsack	NA	NA
+FL5FACGL0009	Quercetin 3-sophoroside	C27H30O17	626.14829	18609-17-1	knapsack	NA	NA
+FL5FACGL0010	Quercetin 3-laminaribioside	C27H30O17	626.14829	171828-58-3	knapsack	NA	NA
+FL5FACGL0011	Quercetin 3-gentiobioside	C27H30O17	626.14829	7431-83-6	knapsack	NA	NA
+FL5FACGL0015	Quercetin 3,7-diglucoside	C27H30O17	626.14829	6892-74-6	knapsack	NA	NA
+FL5FACGL0018	Quercetin 3,3'-diglucoside	C27H30O17	626.14829	20188-84-5	knapsack	NA	NA
+FL5FACGL0019	Quercetin 3,4'-diglucoside	C27H30O17	626.14829	29125-80-2	knapsack	NA	NA
+FL5FACGS0025	Quercetin 3-glucosyl-(1->4)-mannoside	C27H30O17	626.14829	70863-85-3	knapsack	NA	NA
+FL5FACGS0039	Quercetin 7,4'-diglucoside	C27H30O17	626.14829	42900-82-3	knapsack	NA	NA
+FL5FACGS0070	Quercetin 3-glucosyl-(1->3)-galactoside	C27H30O17	626.14829	-	knapsack	NA	NA
+FL5FAGGA0002	Myricetin 3-robinobioside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O17	626.14829	145544-43-0	knapsack	NA	NA
+FL5FAGGA0004	Myricetin 3-galactoside-3'-rhamnoside;2-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-4,5-dihydroxyphenyl]-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O17	626.14829	143035-73-8	knapsack	NA	NA
+FL5FAGGL0003	Myricetin 3-rutinoside	C27H30O17	626.14829	41093-68-9	knapsack	NA	NA
+FL5FAGGS0010	Myricetin 3-rhamnoside-7-glucoside	C27H30O17	626.14829	-	knapsack	NA	NA
+FL5FAGGS0023	Myricetin 3-neohesperidoside; 3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C27H30O17	626.14829	431887-48-8	knapsack	NA	NA
+FL5FAGGS0024	Myricetin 3-rhamnoside-3'-glucoside;3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-[3-(beta-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O17	626.14829	200353-67-9	knapsack	NA	NA
+FL5FEAGL0002	6-Hydroxykaempferol 3,6-diglucoside	C27H30O17	626.14829	142674-16-6	knapsack	NA	NA
+FL5FFAGS0013	Herbacetin 8-gentiobioside	C27H30O17	626.14829	69640-76-2	knapsack	NA	NA
+FL5FFCGL0002	Gossypetin 3-rutinoside	C27H30O17	626.14829	153478-06-9	knapsack	NA	NA
+FL5FFCGS0008	Gossypetin 7-glucosyl-(1->3)-rhamnoside	C27H30O17	626.14829	168288-08-2	knapsack	NA	NA
+FL5FFCGS0009	Gossypetin 7-rhamnoside-8-glucoside	C27H30O17	626.14829	94696-38-5	knapsack	NA	NA
+FL5FGAGL0001	6,8-Dihydroxykaempferol 3-rutinoside	C27H30O17	626.14829	160387-81-5	knapsack	NA	NA
+MJ086955	3',4',5,5',7-Pentahydroxyflavone; 3',5'-Di-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086956	3',4',5,5',7-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086957	3',4',5,6,7-Pentahydroxyflavone; 4',7-Di-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086958	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086959	3',4',5,6,7-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086960	3',4',5,7,8-Pentahydroxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086961	3',4',5,7,8-Pentahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086962	3',4',5,7,8-Pentahydroxyflavone; 8-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086963	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Galactopyranoside, 3'-O-?-L-rhamnopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086964	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086965	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086966	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 3'-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086967	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086968	3,3',4',5,6,7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-L-rhamnofuranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086969	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086970	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086971	3,3',4',5,7,8-Hexahydroxyflavone; 7-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086972	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086973	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-mannopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086974	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086975	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086976	3,4',5,6,7,8-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086977	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086978	3,4',5,7,8-Pentahydroxyflavone; 3,8-Di-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086979	3,4',5,7,8-Pentahydroxyflavone; 8-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086980	4',5,6,7,8-Pentahydroxyflavone; 6,8-Di-O-?-D-glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086981	6,8-Diglucopyranosyl-3',4',5,5',7-pentahydroxyflavone 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086982	Hyperin; 2''-O-?-D-Glucopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086983	Hyperin; 4''-O-?-D-Galactopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086984	Hyperin; 4''-O-?-D-Glucopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086985	Hyperin; 5-O-?-Galactopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086986	Hyperin; 6''-O-?-D-Glucopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086987	Isoquercitrin; 2''-O-?-D-Galactopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086988	Isoquercitrin; 3''-O-?-D-Glucopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086989	Isoquercitrin; 3'-O-?-D-Glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086990	Isoquercitrin; 4'-O-?-D-Glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086991	Isoquercitrin; 6''-O-D-Galactopyranosyl 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086992	Isoquercitrin; 7-O-?-D-Glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086993	Quercimeritrin; 3-O-?-D-Galactopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086994	Quercimeritrin; 4'-O-?-D-Glucopyranoside 	C27H30O17	626.148299	NA	MeJP	NA	NA
+MJ086995	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+MJ086996	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,7-Di-O-?-D-glucopyranoside 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+MJ086997	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+MJ086998	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+MJ086999	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[Glucosyl-(1??)-glucoside] 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+MJ087000	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[Glucosyl-(??)-glucoside] 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+MJ087001	3,3',4'5,5',6,7-Heptahydroxyflavylium(1+); 3-O-Rutinoside 	C27H31O17(+)	626.148299	NA	MeJP	NA	NA
+C12667	Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside	C27H30O17	626.1483	NA	KEGG	NA	NA
+PJ010018	SPCCCD 	C21H34N6O10S3	626.1499	NA	PeJP	NA	NA
+PJ010019	GCCCNQ 	C20H34N8O9S3	626.1611	NA	PeJP	NA	NA
+MJ087002	Chartreusin; 3''-O-De-Me 	C31H30O14	626.163555	NA	MeJP	NA	NA
+PJ010020	GSCDDM 	C21H34N6O12S2	626.1676	NA	PeJP	NA	NA
+PJ010021	APCCCM 	C22H38N6O7S4	626.1685	NA	PeJP	NA	NA
+MJ087003	Kuwanon L 	C35H30O11	626.178811	NA	MeJP	NA	NA
+PJ010022	SSCCNN 	C20H34N8O11S2	626.1789	NA	PeJP	NA	NA
+PJ010023	SCCEW 	C25H34N6O9S2	626.1829	NA	PeJP	NA	NA
+FL2FBCGS0002	5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside	C28H34O16	626.18468	114454-39-6	knapsack	NA	NA
+FL4DAEGS0001	Anacheiloside	C28H34O16	626.18468	102904-44-9	knapsack	NA	NA
+FL4DCAGS0001	Micrantoside	C28H34O16	626.18468	79852-11-2	knapsack	NA	NA
+MJ087004	1,2,3,4,5-Pentahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087005	1,2,3,4,7-Pentahydroxyxanthone; 2,3,4,7-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087006	1,2,3,5,7-Pentahydroxyxanthone; 2,3,5,7-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087007	1,2,3,5-Tetrahydroxyxanthone; 2,3,5-Tri-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087008	1,2,3,7-Tetrahydroxyxanthone; 2,3,7-Tri-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087009	1,4,5,7-Tetrahydroxyxanthone; 1,4,5-Tri-Me ether, 7-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087010	2,4-Diglucosyl-1,3,6,7-tetrahydroxyxanthone; 3,6,7-Tri-Me ether 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087011	3',4',5,7-Tetrahydroxyflavanone, 5-Me ether, 7-O-[?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087012	3,3',4',5,7-Pentahydroxyflavanone, 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087013	5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-D-allopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+MJ087014	5,7,9,10-Tetrahydroxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one; 5,7-Di-Me ether, 9-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O16	626.184685	NA	MeJP	NA	NA
+PJ010024	SSSCDE 	C21H34N6O14S	626.1854	NA	PeJP	NA	NA
+PJ010025	CNEMM 	C22H38N6O9S3	626.1863	NA	PeJP	NA	NA
+MJ087015	Sorocenol D 	C39H30O8	626.194067	NA	MeJP	NA	NA
+PJ010026	CCDMR 	C21H38N8O8S3	626.1975	NA	PeJP	NA	NA
+PJ010027	CNDEF 	C25H34N6O11S	626.2007	NA	PeJP	NA	NA
+PJ010028	GCMMW 	C26H38N6O6S3	626.2015	NA	PeJP	NA	NA
+PJ010029	GSSDMM 	C22H38N6O11S2	626.204	NA	PeJP	NA	NA
+PJ010030	CCQHH 	C23H34N10O7S2	626.2054	NA	PeJP	NA	NA
+PJ010031	CNNNY 	C24H34N8O10S	626.2119	NA	PeJP	NA	NA
+MJ087016	3,3',4,4',9,9'-Hexahydroxylignan, 9,9'-Bis(4-hydroxycinnamoyl) 	C36H34O10	626.215197	NA	MeJP	NA	NA
+PJ010032	GCDFW 	C29H34N6O8S	626.2159	NA	PeJP	NA	NA
+PJ010033	SNDEY 	C25H34N6O13	626.2184	NA	PeJP	NA	NA
+PJ010034	STCMW 	C26H38N6O8S2	626.2193	NA	PeJP	NA	NA
+MJ087017	2',3',4',7-Tetrahydroxyisoflavan, 3',4'-Di-Me ether, 2',7-di-O-?-D-glucopyranoside 	C29H38O15	626.22107	NA	MeJP	NA	NA
+MJ087018	3-Phenyl-1-(2,3,4,6-tetrahydroxyphenyl)-1-propanone; 3',6'-Di-Me ether, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H38O15	626.22107	NA	MeJP	NA	NA
+MJ087019	4,5,7-Trihydroxy-6-hydroxymethyl-8-methylflavan, 5,7-Di-O-?-D-glucopyranoside 	C29H38O15	626.22107	NA	MeJP	NA	NA
+FL1DE9GS0001	Salicifolioside A;2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-glucosyl-(1'''->6'')-glucoside;2',4'-Dihydroxy-3',6'-dimethoxydihydrochalcone 4'-gentiobioside	C29H38O15	626.22107	243130-37-2	knapsack	NA	NA
+FL64A9GM0001	Pneumatopterin A;4'-Demethoxytriphyllin A;bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside	C29H38O15	626.22107	192643-12-2	knapsack	NA	NA
+PJ010035	SSSSEM 	C22H38N6O13S	626.2218	NA	PeJP	NA	NA
+PJ010036	SQMMM 	C23H42N6O8S3	626.2226	NA	PeJP	NA	NA
+PJ010037	GGTMMM 	C23H42N6O8S3	626.2227	NA	PeJP	NA	NA
+PJ010038	GSSCHH 	C23H34N10O9S	626.2231	NA	PeJP	NA	NA
+PJ010039	GSPDDH 	C24H34N8O12	626.2297	NA	PeJP	NA	NA
+PJ010040	APPCCH 	C25H38N8O7S2	626.2305	NA	PeJP	NA	NA
+PJ010041	GSDYW 	C29H34N6O10	626.2337	NA	PeJP	NA	NA
+PJ010042	SCMMR 	C22H42N8O7S3	626.2339	NA	PeJP	NA	NA
+MJ087020	Agrimols; Agrimol E 	C33H38O12	626.236326	NA	MeJP	NA	NA
+MJ087021	Filixic acids; Filixic acid ABP 	C33H38O12	626.236326	NA	MeJP	NA	NA
+MJ087022	Trisdesaspidins; Trisdesaspidin PBP 	C33H38O12	626.236326	NA	MeJP	NA	NA
+PJ010043	GQEMY 	C26H38N6O10S	626.237	NA	PeJP	NA	NA
+PJ010044	GSTTMM 	C23H42N6O10S2	626.2404	NA	PeJP	NA	NA
+PJ010045	NNNEH 	C23H34N10O11	626.2409	NA	PeJP	NA	NA
+PJ010046	CCKHH 	C24H38N10O6S2	626.2417	NA	PeJP	NA	NA
+PJ010047	GCERY 	C25H38N8O9S	626.2483	NA	PeJP	NA	NA
+PJ010048	QMYW 	C30H38N6O7S	626.2523	NA	PeJP	NA	NA
+PJ010049	STQEY 	C26H38N6O12	626.2548	NA	PeJP	NA	NA
+PJ010050	AQMMF 	C27H42N6O7S2	626.2557	NA	PeJP	NA	NA
+PJ010051	GNNHW 	C27H34N10O8	626.2561	NA	PeJP	NA	NA
+MJ087023	1,7-Bis(3,4-dihydroxyphenyl)-3-heptanol, 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H42O14	626.257456	NA	MeJP	NA	NA
+PJ010052	SSTTTM 	C23H42N6O12S	626.2582	NA	PeJP	NA	NA
+PJ010053	SKMMM 	C24H46N6O7S3	626.259	NA	PeJP	NA	NA
+PJ010054	PCDHR 	C24H38N10O8S	626.2595	NA	PeJP	NA	NA
+MJ087024	1,4,6,9-Tetrahydroxydihydro-?-agarofuran, 1,6-Bis(3-pyridinecarbonyl), 9-cinnamoyl 	C36H38N2O8	626.262816	NA	MeJP	NA	NA
+PJ010055	CRYW 	C29H38N8O6S	626.2635	NA	PeJP	NA	NA
+PJ010056	SSDRY 	C25H38N8O11	626.266	NA	PeJP	NA	NA
+PJ010057	GGGGAPPD 	C25H38N8O11	626.2661	NA	PeJP	NA	NA
+PJ010058	ACMFR 	C26H42N8O6S2	626.2669	NA	PeJP	NA	NA
+PJ010059	GTTYW 	C30H38N6O9	626.27	NA	PeJP	NA	NA
+PJ010060	GGAPYY 	C30H38N6O9	626.2701	NA	PeJP	NA	NA
+MJ087025	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-(2-furancarbonyl), 2-(2-methylbutanoyl), 1-Ac 	C34H42O11	626.272712	NA	MeJP	NA	NA
+MJ087026	19-Hydroxyingol; 7-Phenylacetyl, 3,12,19-tri-Ac 	C34H42O11	626.272712	NA	MeJP	NA	NA
+MJ087027	Detigloylswietenine; 8?,30?-Epoxide, 3-tigloyl, 6-Ac 	C34H42O11	626.272712	NA	MeJP	NA	NA
+MJ087028	Humilinolide C; 6R-Acetoxy, 2-de-Ac 	C34H42O11	626.272712	NA	MeJP	NA	NA
+MJ087029	Swietenolide; 2-Hydroxy, 3-tigloyl, 6-Ac 	C34H42O11	626.272712	NA	MeJP	NA	NA
+PJ010061	GKEMY 	C27H42N6O9S	626.2734	NA	PeJP	NA	NA
+MetaCyc03994	RCC [red chlorophyll catabolite;red bilin;]	C35H38N4O7	626.27405	NA	metacyc	NA	NA
+C18022	Red chlorophyll catabolite	C35H38N4O7	626.2741	NA	KEGG	NA	NA
+PJ010062	GEEHR 	C24H38N10O10	626.2773	NA	PeJP	NA	NA
+MJ087030	Guamecycline 	C29H38N8O8	626.28126	NA	MeJP	NA	NA
+PJ010063	GVEHW 	C29H38N8O8	626.2813	NA	PeJP	NA	NA
+MJ087031	Ajadinine 	C33H42N2O10	626.283945	NA	MeJP	NA	NA
+PJ010064	GTMRY 	C26H42N8O8S	626.2846	NA	PeJP	NA	NA
+PJ010065	PDKMH 	C26H42N8O8S	626.2847	NA	PeJP	NA	NA
+PJ010066	QFFW 	C34H38N6O6	626.2853	NA	PeJP	NA	NA
+MJ087032	Aplysiatoxin; Debromo, 19-chloro 	C32H47ClO10	626.285775	NA	MeJP	NA	NA
+PJ010067	SNNHR 	C23H38N12O9	626.2885	NA	PeJP	NA	NA
+PJ010068	KMYW 	C31H42N6O6S	626.2887	NA	PeJP	NA	NA
+PJ010069	STKEY 	C27H42N6O11	626.2912	NA	PeJP	NA	NA
+PJ010070	AKMMF 	C28H46N6O6S2	626.292	NA	PeJP	NA	NA
+PJ010071	VCKMF 	C28H46N6O6S2	626.2921	NA	PeJP	NA	NA
+PJ010072	EHRW 	C28H38N10O7	626.2925	NA	PeJP	NA	NA
+MJ087033	4,18:11,16:15,16-Triepoxy-2,3,6,15,19-clerodanepentol, 3-(3-Acetoxy-2-methylbutanoyl), 6,19-di-Ac 	C31H46O13	626.293841	NA	MeJP	NA	NA
+MJ087034	Anodendrosin A 	C31H46O13	626.293841	NA	MeJP	NA	NA
+PJ010073	SPMHR 	C25H42N10O7S	626.2959	NA	PeJP	NA	NA
+PJ010074	VHWW 	C33H38N8O5	626.2965	NA	PeJP	NA	NA
+MJ087035	11,17,21-Trihydroxypregn-4-ene-3,20-dione, 21-[(1-Benzyl-1H-indazol-3-yl)oxy]acetate 	C37H42N2O7	626.299201	NA	MeJP	NA	NA
+MJ087036	Chillanamine 	C37H42N2O7	626.299201	NA	MeJP	NA	NA
+MJ087037	Magnolamine 	C37H42N2O7	626.299201	NA	MeJP	NA	NA
+PJ010075	STTRY 	C26H42N8O10	626.3024	NA	PeJP	NA	NA
+PJ010076	PPVEW 	C31H42N6O8	626.3064	NA	PeJP	NA	NA
+MJ087038	Spumigin B1 	C31H42N6O8	626.306412	NA	MeJP	NA	NA
+MJ087039	5,11-Jatrophadiene-3,7,9,14,15-pentol, 3-Benzoyl, 7,9,14,15-tetra-Ac 	C35H46O10	626.309097	NA	MeJP	NA	NA
+MJ087040	Bonaspectin D; 7''-Deoxy, 4''-Me ether 	C35H46O10	626.309097	NA	MeJP	NA	NA
+MJ087041	Bonaspectin D; 8-Epimer, 7''-deoxy, 4''-Me ether 	C35H46O10	626.309097	NA	MeJP	NA	NA
+MJ087042	Nimbolinin B 	C35H46O10	626.309097	NA	MeJP	NA	NA
+PJ010077	SVKMY 	C28H46N6O8S	626.3098	NA	PeJP	NA	NA
+PJ010078	SVEHR 	C25H42N10O9	626.3136	NA	PeJP	NA	NA
+PJ010079	VTDHR 	C25H42N10O9	626.3137	NA	PeJP	NA	NA
+PJ010080	ATLHW 	C30H42N8O7	626.3177	NA	PeJP	NA	NA
+PJ010081	VLQMH 	C27H46N8O7S	626.321	NA	PeJP	NA	NA
+PJ010082	GGLLMH 	C27H46N8O7S	626.3211	NA	PeJP	NA	NA
+PJ010083	KFFW 	C35H42N6O5	626.3217	NA	PeJP	NA	NA
+PJ010084	APPTLE 	C28H46N6O10	626.3276	NA	PeJP	NA	NA
+PJ010085	APHFR 	C29H42N10O6	626.3289	NA	PeJP	NA	NA
+MJ087043	15,16-Epoxy-8,13(16),14-labdatrien-3-ol, 3-O-Sophoroside 	C32H50O12	626.330227	NA	MeJP	NA	NA
+PJ010086	ALMHR 	C26H46N10O6S	626.3323	NA	PeJP	NA	NA
+PJ010087	TLKEH 	C27H46N8O9	626.3388	NA	PeJP	NA	NA
+MJ087044	Halotoxin 	C32H46N6O7	626.342797	NA	MeJP	NA	NA
+PJ010088	GLKFY 	C32H46N6O7	626.3428	NA	PeJP	NA	NA
+MJ087045	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-(4-Hydroxycinnamoyl) 	C36H50O9	626.345483	NA	MeJP	NA	NA
+MJ087046	2,3,5,14,20,22,24-Heptahydroxycholest-7-en-6-one, 2-Cinnamoyl 	C36H50O9	626.345483	NA	MeJP	NA	NA
+MJ087047	2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one, 2-O-Cinnamoyl 	C36H50O9	626.345483	NA	MeJP	NA	NA
+MJ087048	Milbemycin ?1; 26-O-(3-Methyl-2-butenoyloxy) 	C36H50O9	626.345483	NA	MeJP	NA	NA
+MJ087049	Milbemycin ?1; 26-O-(Tigloyloxy) 	C36H50O9	626.345483	NA	MeJP	NA	NA
+PJ010089	GPPLLM 	C29H50N6O7S	626.3462	NA	PeJP	NA	NA
+PJ010090	TTLHR 	C26H46N10O8	626.35	NA	PeJP	NA	NA
+PJ010091	GGGAPLR 	C26H46N10O8	626.3501	NA	PeJP	NA	NA
+PJ010092	PVKHF 	C31H46N8O6	626.3541	NA	PeJP	NA	NA
+MJ087050	Ansatrienin B; N-Deacyl, N-(4-methylpentanoyl) 	C35H50N2O8	626.356716	NA	MeJP	NA	NA
+PJ010093	VLKMH 	C28H50N8O6S	626.3574	NA	PeJP	NA	NA
+PJ010094	APQRR 	C25H46N12O7	626.3613	NA	PeJP	NA	NA
+PJ010095	SPPTLL 	C29H50N6O9	626.3639	NA	PeJP	NA	NA
+PJ010096	GPVLLE 	C29H50N6O9	626.364	NA	PeJP	NA	NA
+C09078	Cotylenin F	C33H54O11	626.3666	NA	KEGG	NA	NA
+MJ087051	2,3,14,20,22-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087052	3,14,20,22,25-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087053	3,5,14,22,25-Pentahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087054	Aurenin 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087055	Chainin; Stereoisomer, 1'-hydroxy 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087056	Chainin; Stereoisomer, 14-hydroxy 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087057	Cotylenin F 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087058	Cotylenin G 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087059	Spirostane-1,3,4,5-tetrol; 5-O-?-D-Glucopyranoside 	C33H54O11	626.366612	NA	MeJP	NA	NA
+MJ087060	Spirostane-2,3,5,6-tetrol, 3-O-?-D-Glucopyranoside 	C33H54O11	626.366612	NA	MeJP	NA	NA
+PJ010097	PLLER 	C28H50N8O8	626.3752	NA	PeJP	NA	NA
+PJ010098	PVLLW 	C33H50N6O6	626.3792	NA	PeJP	NA	NA
+MJ087061	Antibiotic S 541; Antibiotic S 541F 	C37H54O8	626.381868	NA	MeJP	NA	NA
+MJ087062	Gentinone A; 7-Ac 	C37H54O8	626.381868	NA	MeJP	NA	NA
+MJ087063	Nemadectin ? 	C37H54O8	626.381868	NA	MeJP	NA	NA
+PJ010099	PVQKR 	C27H50N10O7	626.3864	NA	PeJP	NA	NA
+MJ087064	6-Chloro-4,5-epoxystigmastan-3-ol, 3-O-?-D-Glucopyranoside 	C35H59ClO7	626.394931	NA	MeJP	NA	NA
+PJ010100	APKRR 	C26H50N12O6	626.3977	NA	PeJP	NA	NA
+PJ010101	APTLLL 	C30H54N6O8	626.4003	NA	PeJP	NA	NA
+MJ087065	Cholest-22-ene-3,4,6,8,15,24-hexol, 3-O-[2,4-Di-O-methyl-?-D-xylopyranoside] 	C34H58O10	626.402998	NA	MeJP	NA	NA
+MJ087066	Ergost-24(28)-ene-3,6,8,15,16,26-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) 	C34H58O10	626.402998	NA	MeJP	NA	NA
+3628	NA	RKPKV	626.409	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ087067	Tocofibrate 	C39H59ClO4	626.410188	NA	MeJP	NA	NA
+PJ010102	AAPLKK 	C29H54N8O7	626.4116	NA	PeJP	NA	NA
+PJ010103	PVKKR 	C28H54N10O6	626.4228	NA	PeJP	NA	NA
+MJ087068	Flexixanthin; 2'-Hydroxy, 1',3-di-Me ether 	C42H58O4	626.43351	NA	MeJP	NA	NA
+MJ087069	Peltatol A 	C42H58O4	626.43351	NA	MeJP	NA	NA
+MJ087070	Peltatol B 	C42H58O4	626.43351	NA	MeJP	NA	NA
+MJ087071	Peltatol C 	C42H58O4	626.43351	NA	MeJP	NA	NA
+PJ010104	GVLLLL 	C31H58N6O7	626.4367	NA	PeJP	NA	NA
+PJ010105	LLLLR 	C30H58N8O6	626.448	NA	PeJP	NA	NA
+HMDB07092	DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C40H66O5	626.491028	NA	HMDB2010	NA	NA
+HMDB07764	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0/0:0)	C40H66O5	626.491028	NA	HMDB2010	NA	NA
+MJ087072	2-Hentriacontyl-5,7-dihydroxy-6-methyl-4H-1-benzopyran-4-one 	C41H70O4	626.52741	NA	MeJP	NA	NA
+MJ087073	Maedamine A 	C23H24Br3N3O3	626.936779	NA	MeJP	NA	NA
+MJ087074	Micacocidins; Zn complex 	C27H37N3O4S3Zn	627.123765	NA	MeJP	NA	NA
+FL7AAGGL0018	Delphinidin 3-caffeylglucoside	C30H27O15	627.13499	-	knapsack	NA	NA
+C16367	Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)	C30H27O15	627.135	NA	KEGG	NA	NA
+MJ087075	Antibiotic TAN 643 	C19H29N7O15S	627.144233	NA	MeJP	NA	NA
+PJ010106	GCCCNE 	C20H33N7O10S3	627.1451	NA	PeJP	NA	NA
+MJ087076	Cefbuperazone 	C22H29N9O9S2	627.152964	NA	MeJP	NA	NA
+C16307	Delphinidin 3-O-sophoroside	C27H31O17	627.1561	NA	KEGG	NA	NA
+C16312	Delphin	C27H31O17	627.1561	NA	KEGG	NA	NA
+FL7AAGGL0004	Delphinidin 3-sophoroside	C27H31O17	627.15612	59212-40-7	knapsack	NA	NA
+FL7AAGGL0007	Delphin;Delphinidin 3,5-diglucoside	C27H31O17	627.15612	17670-06-3	knapsack	NA	NA
+FL7AAGGL0008	Delphinidin 3,7-diglucoside	C27H31O17	627.15612	64963-56-0	knapsack	NA	NA
+FL7AAGGL0038	Delphinidin 3-gentiobioside	C27H31O17	627.15612	55169-25-0	knapsack	NA	NA
+FL7AEGGL0001	6-Hydroxydelphinidin 3-rutinoside	C27H31O17	627.15612	115713-29-6	knapsack	NA	NA
+MetaCyc03995	delphinidin-3,5-diglucoside []	C27H31O17	627.156125	NA	metacyc	NA	NA
+PJ010107	CCCNW 	C24H33N7O7S3	627.1604	NA	PeJP	NA	NA
+PJ010108	SSCCND 	C20H33N7O12S2	627.1629	NA	PeJP	NA	NA
+PJ010109	CDEMM 	C22H37N5O10S3	627.1703	NA	PeJP	NA	NA
+MJ087077	Geodiamolide D 	C27H38IN3O6	627.180529	NA	MeJP	NA	NA
+PJ010110	GSCCQM 	C21H37N7O9S3	627.1815	NA	PeJP	NA	NA
+PJ010111	CDDEF 	C25H33N5O12S	627.1847	NA	PeJP	NA	NA
+PJ010112	CCEHH 	C23H33N9O8S2	627.1894	NA	PeJP	NA	NA
+PJ010113	GSCCCR 	C20H37N9O8S3	627.1928	NA	PeJP	NA	NA
+PJ010114	CNNDY 	C24H33N7O11S	627.1959	NA	PeJP	NA	NA
+PJ010115	SSSCNM 	C21H37N7O11S2	627.1993	NA	PeJP	NA	NA
+PJ010116	SDDEY 	C25H33N5O14	627.2024	NA	PeJP	NA	NA
+PJ010117	PCDMY 	C26H37N5O9S2	627.2033	NA	PeJP	NA	NA
+PJ010118	SEMMM 	C23H41N5O9S3	627.2067	NA	PeJP	NA	NA
+PJ010119	CNNMF 	C25H37N7O8S2	627.2145	NA	PeJP	NA	NA
+PJ010120	GSSSSTC 	C21H37N7O13S	627.217	NA	PeJP	NA	NA
+PJ010121	GSCCKM 	C22H41N7O8S3	627.2179	NA	PeJP	NA	NA
+PJ010122	ADEMY 	C26H37N5O11S	627.221	NA	PeJP	NA	NA
+PJ010123	GEEMY 	C26H37N5O11S	627.2211	NA	PeJP	NA	NA
+PJ010124	PCMMF 	C27H41N5O6S3	627.2219	NA	PeJP	NA	NA
+PJ010125	NNDEH 	C23H33N9O12	627.2249	NA	PeJP	NA	NA
+PJ010126	CLMMM 	C24H45N5O6S4	627.2253	NA	PeJP	NA	NA
+PJ010127	TCMHH 	C24H37N9O7S2	627.2258	NA	PeJP	NA	NA
+MJ087078	Adriamycin; 4'-O-(Tetrahydropyran-2-yl) 	C32H37NO12	627.231575	NA	MeJP	NA	NA
+MJ087079	Nocardicyclin A; 4'-Ac 	C32H37NO12	627.231575	NA	MeJP	NA	NA
+PJ010128	SNNMY 	C25H37N7O10S	627.2323	NA	PeJP	NA	NA
+PJ010129	SSSSSSS 	C21H37N7O15	627.2348	NA	PeJP	NA	NA
+PJ010130	SSTCCK 	C22H41N7O10S2	627.2357	NA	PeJP	NA	NA
+PJ010131	EMYW 	C30H37N5O8S	627.2363	NA	PeJP	NA	NA
+PJ010132	STEEY 	C26H37N5O13	627.2388	NA	PeJP	NA	NA
+PJ010133	SPMMY 	C27H41N5O8S2	627.2397	NA	PeJP	NA	NA
+PJ010134	GNDHW 	C27H33N9O9	627.2402	NA	PeJP	NA	NA
+PJ010135	GSPCQH 	C24H37N9O9S	627.2435	NA	PeJP	NA	NA
+HMDB06698	Tri-N-acetylchitotriose	C24H41N3O16	627.248657	NA	HMDB2010	NA	NA
+HMDB06698	Tri-N-acetylchitotriose	C24H41N3O16	627.24866	http://www.hmdb.ca/metabolites/HMDB06698	HMDB	NA	NA
+HMDB06698	Tri-N-acetylchitotriose	C24H41N3O16	627.24866	HMDB06698	PFEM_hmdb_metabocards_official	NA	NA
+MJ087080	Chitotriose; N,N',N''-Tri-Ac 	C24H41N3O16	627.248682	NA	MeJP	NA	NA
+PJ010136	GSSSQY 	C25H37N7O12	627.25	NA	PeJP	NA	NA
+PJ010137	LDDEH 	C25H37N7O12	627.2501	NA	PeJP	NA	NA
+PJ010138	CCQKF 	C26H41N7O7S2	627.2509	NA	PeJP	NA	NA
+PJ010139	GPEYY 	C30H37N5O10	627.2541	NA	PeJP	NA	NA
+3815	NA	WYYP	627.257	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ010140	SVEMY 	C27H41N5O10S	627.2574	NA	PeJP	NA	NA
+PJ010141	GMHHF 	C28H37N9O6S	627.2588	NA	PeJP	NA	NA
+PJ010142	SQQEH 	C24H37N9O11	627.2613	NA	PeJP	NA	NA
+PJ010143	PPNDW 	C29H37N7O9	627.2653	NA	PeJP	NA	NA
+PJ010144	SCQKY 	C26H41N7O9S	627.2687	NA	PeJP	NA	NA
+PJ010145	PYYW 	C34H37N5O7	627.2693	NA	PeJP	NA	NA
+PJ010146	SNDHR 	C23H37N11O10	627.2725	NA	PeJP	NA	NA
+PJ010147	APMFY 	C31H41N5O7S	627.2727	NA	PeJP	NA	NA
+PJ010148	ALMMY 	C28H45N5O7S2	627.2761	NA	PeJP	NA	NA
+PJ010149	GTQHW 	C28H37N9O8	627.2765	NA	PeJP	NA	NA
+PJ010150	GGGGPHF 	C28H37N9O8	627.2766	NA	PeJP	NA	NA
+8241	Antioxidative peptide	LGFEY	627.278	NA  ;SYN:(+)-S-Lysine; (S)-2,6-Diaminohexanoate; (S)-2,6-Diaminohexanoic acid; (S)-2,6-diamino-Hexanoate; (S)-2,6-diamino-Hexanoic acid; (S)-Lysine; (S)-a,e-Diaminocaproate; (S)-a,e-Diaminocaproic acid; 2,6-Diaminohexanoate; 2,6-Diaminohexanoic acid; 6-amino-Aminutrin; 6-amino-L-Norleucine; Aminutrin; L-(+)-Lysine; L-2,6-Diainohexanoate; L-2,6-Diainohexanoic acid; L-2,6-Diaminocaproate; L-2,6-Diaminocaproic acid; L-Lys; Lys; Lysine; Lysine acid; a-Lysine; h-Lys-oh; alpha-LysineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ010151	VNQMH 	C25H41N9O8S	627.2799	NA	PeJP	NA	NA
+PJ010152	PPMHF 	C30H41N7O6S	627.2839	NA	PeJP	NA	NA
+PJ010153	GSSSKY 	C26H41N7O11	627.2864	NA	PeJP	NA	NA
+PJ010154	CCKKF 	C27H45N7O6S2	627.2873	NA	PeJP	NA	NA
+PJ010155	PTHHH 	C27H37N11O7	627.2878	NA	PeJP	NA	NA
+PJ010156	SPVYY 	C31H41N5O9	627.2904	NA	PeJP	NA	NA
+PJ010157	GLEFY 	C31H41N5O9	627.2905	NA	PeJP	NA	NA
+PJ010158	GQMHR 	C24H41N11O7S	627.2911	NA	PeJP	NA	NA
+PJ010159	GGAMHR 	C24H41N11O7S	627.2912	NA	PeJP	NA	NA
+PJ010160	TTLMY 	C28H45N5O9S	627.2938	NA	PeJP	NA	NA
+PJ010161	GSPPDR 	C25H41N9O10	627.2977	NA	PeJP	NA	NA
+PJ010162	PPTQW 	C30H41N7O8	627.3017	NA	PeJP	NA	NA
+PJ010163	GCHRR 	C23H41N13O6S	627.3024	NA	PeJP	NA	NA
+PJ010164	SCKKY 	C27H45N7O8S	627.305	NA	PeJP	NA	NA
+PJ010165	VLEMH 	C27H45N7O8S	627.3051	NA	PeJP	NA	NA
+MJ087081	Cycloaspeptide A; NPhe-de-Me 	C35H41N5O6	627.305684	NA	MeJP	NA	NA
+MJ087082	Cycloaspeptide A; NTyr-de-Me 	C35H41N5O6	627.305684	NA	MeJP	NA	NA
+PJ010166	LFYW 	C35H41N5O6	627.3057	NA	PeJP	NA	NA
+PJ010167	STQHR 	C24H41N11O9	627.3089	NA	PeJP	NA	NA
+PJ010168	ALMFF 	C32H45N5O6S	627.3091	NA	PeJP	NA	NA
+PJ010169	GTKHW 	C29H41N9O7	627.3129	NA	PeJP	NA	NA
+PJ010170	PPQMR 	C26H45N9O7S	627.3163	NA	PeJP	NA	NA
+MJ087083	Phoslactomycin; Phoslactomycin D 	C31H50NO10P	627.317233	NA	MeJP	NA	NA
+MJ087084	8,9-Leukotriene C3 	C30H49N3O9S	627.31895	NA	MeJP	NA	NA
+PJ010171	GPPTKE 	C27H45N7O10	627.3228	NA	PeJP	NA	NA
+PJ010172	VVHHH 	C28H41N11O6	627.3242	NA	PeJP	NA	NA
+PJ010173	GLLYY 	C32H45N5O8	627.3268	NA	PeJP	NA	NA
+PJ010174	PPCRR 	C25H45N11O6S	627.3275	NA	PeJP	NA	NA
+PJ010175	PVQER 	C26H45N9O9	627.334	NA	PeJP	NA	NA
+PJ010176	GGPLER 	C26H45N9O9	627.3341	NA	PeJP	NA	NA
+PJ010177	PPTKW 	C31H45N7O7	627.3381	NA	PeJP	NA	NA
+MJ087085	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 10-Ac 	C35H49NO9	627.340732	NA	MeJP	NA	NA
+MJ087086	Chasmanine; 14-O-(4-Methoxybenzoyl), 8-Ac 	C35H49NO9	627.340732	NA	MeJP	NA	NA
+MJ087087	Chasmanine; 8-O-(4-Methoxybenzoyl), 14-Ac 	C35H49NO9	627.340732	NA	MeJP	NA	NA
+MJ087088	Talatizamine; O8-(3,4-Dimethoxybenzoyl), O14-Ac 	C35H49NO9	627.340732	NA	MeJP	NA	NA
+MJ087089	Taxine B; 13?-Alcohol, O13-Ac 	C35H49NO9	627.340732	NA	MeJP	NA	NA
+PJ010178	APPCLK 	C28H49N7O7S	627.3414	NA	PeJP	NA	NA
+PJ010179	GPPVKM 	C28H49N7O7S	627.3415	NA	PeJP	NA	NA
+PJ010180	APERR 	C25H45N11O8	627.3453	NA	PeJP	NA	NA
+PJ010181	GPLRW 	C30H45N9O6	627.3493	NA	PeJP	NA	NA
+PJ010182	PPKMR 	C27H49N9O6S	627.3527	NA	PeJP	NA	NA
+EUR798	Lyso PC 22:6 [M-H+acetate]-	C30H50NO7P	627.353592	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR798	Lyso PC 22:6 [M-H+acetate]-	C30H50NO7P	627.353592	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR798	Lyso PC 22:6 [M-H+acetate]-	C30H50NO7P	627.353592	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR798	Lyso PC 22:6 [M-H+acetate]-	C30H50NO7P	627.353592	masses lipides attendues	Inhousejuil11	NA	NA
+PJ010183	AAPLKE 	C28H49N7O9	627.3592	NA	PeJP	NA	NA
+PJ010184	PVKER 	C27H49N9O8	627.3704	NA	PeJP	NA	NA
+PJ010185	PVVKW 	C32H49N7O6	627.3745	NA	PeJP	NA	NA
+PJ010186	SPLRR 	C26H49N11O7	627.3817	NA	PeJP	NA	NA
+MJ087090	Antibiotic SF 1902A2 	C30H53N5O9	627.384328	NA	MeJP	NA	NA
+PJ010187	GPTLLK 	C29H53N7O8	627.3956	NA	PeJP	NA	NA
+MJ087091	Daechuine S3 	C34H53N5O6	627.399584	NA	MeJP	NA	NA
+MJ087092	Daechuine S8-1 	C34H53N5O6	627.399584	NA	MeJP	NA	NA
+PJ010188	VLLQR 	C28H53N9O7	627.4068	NA	PeJP	NA	NA
+PJ010189	ALLRR 	C27H53N11O6	627.4181	NA	PeJP	NA	NA
+EUR805	Lyso PC 24:1 [M+Na]+	C32H64NO7P	627.423988	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR805	Lyso PC 24:1 [M+Na]+	C32H64NO7P	627.423988	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR805	Lyso PC 24:1 [M+Na]+	C32H64NO7P	627.423988	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR805	Lyso PC 24:1 [M+Na]+	C32H64NO7P	627.423988	masses lipides attendues	Inhousejuil11	NA	NA
+PJ010190	AALLLK 	C30H57N7O7	627.432	NA	PeJP	NA	NA
+PJ010191	VLLKR 	C29H57N9O6	627.4432	NA	PeJP	NA	NA
+MJ087093	Squalamine 	C34H65N3O5S	627.464492	NA	MeJP	NA	NA
+C16841	Squalamine	C34H65N3O5S	627.4645	NA	KEGG	NA	NA
+MJ087094	3,3',4,4',5,5'-Hexabromo-2,2'-bi-1H-pyrrole; N,N'-Di-Me 	C10H6Br6N2	627.563124	NA	MeJP	NA	NA
+MJ087095	2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxy-21-methyldocosanoyl) 	C38H77NO5	627.580174	NA	MeJP	NA	NA
+MJ087096	2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxytricosanoyl) 	C38H77NO5	627.580174	NA	MeJP	NA	NA
+MJ087097	2-Amino-14-methyl-1,3,4-pentadecanetriol, N-(2R-Hydroxydocosanoyl) 	C38H77NO5	627.580174	NA	MeJP	NA	NA
+MJ087098	Iodamide 	C12H11I3N2O4	627.785287	NA	MeJP	NA	NA
+C14165	Metrizoic acid	C12H11I3N2O4	627.7853	NA	KEGG	NA	NA
+MJ087099	Iosumetic acid 	C13H15I3N2O3	627.821672	NA	MeJP	NA	NA
+MJ087100	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(4-Hydroxy-E-cinnamoyl) 	C29H24O16	628.106434	NA	MeJP	NA	NA
+MJ087101	Triumbellatin; 7'-O-(6-Deoxy-?-D-galactopyranoside) 	C33H24O13	628.12169	NA	MeJP	NA	NA
+MJ087102	Triumbellatin; 7'-O-?-L-Rhamnopyranoside 	C33H24O13	628.12169	NA	MeJP	NA	NA
+MJ087103	Triumbellatin; 7-O-?-L-Rhamnopyranoside 	C33H24O13	628.12169	NA	MeJP	NA	NA
+MJ087104	3,3',4',5,5',7,8-Heptahydroxyflavone; 8-O-Glucosylxyloside 	C26H28O18	628.127564	NA	MeJP	NA	NA
+PJ010192	GCCCDE 	C20H32N6O11S3	628.1292	NA	PeJP	NA	NA
+PJ010193	CCCDW 	C24H32N6O8S3	628.1444	NA	PeJP	NA	NA
+PJ010194	SSCCDD 	C20H32N6O13S2	628.1469	NA	PeJP	NA	NA
+PJ010195	PTCCCC 	C21H36N6O8S4	628.1478	NA	PeJP	NA	NA
+FL4DACGS0022	Taxifolin 3-galactosyl-(1->6)-glucoside	C27H32O17	628.16394	141736-93-8	knapsack	NA	NA
+MJ087105	1,2,5,6,8-Pentahydroxyxanthone; 5,6-Di-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O17	628.163949	NA	MeJP	NA	NA
+MJ087106	2,5-Dihydroxybenzoic acid; 5-O-[4-Hydroxy-3,5-dimethoxybenzoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O17	628.163949	NA	MeJP	NA	NA
+MJ087107	3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H32O17	628.163949	NA	MeJP	NA	NA
+MJ087108	3,3',4',5,7-Pentahydroxyflavanone, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C27H32O17	628.163949	NA	MeJP	NA	NA
+PJ010196	GSCCEM 	C21H36N6O10S3	628.1655	NA	PeJP	NA	NA
+MJ087109	[Dihydrogen 6-(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetato(2-)]copper(II) 	C25H35CuN5O10	628.167993	NA	MeJP	NA	NA
+MJ087110	2,5,6-Trihydroxy-9-phenyl-1H-phenalen-1-one; 6-O-Glucosylglucoside 	C31H32O14	628.179205	NA	MeJP	NA	NA
+PJ010197	CNDDY 	C24H32N6O12S	628.1799	NA	PeJP	NA	NA
+PJ010198	SCCMW 	C25H36N6O7S3	628.1808	NA	PeJP	NA	NA
+PJ010199	SSSCDM 	C21H36N6O12S2	628.1833	NA	PeJP	NA	NA
+PJ010200	CNMMM 	C22H40N6O7S4	628.1841	NA	PeJP	NA	NA
+PJ010201	GGCMMM 	C22H40N6O7S4	628.1842	NA	PeJP	NA	NA
+MJ087111	2,5-Dihydroxybenzyl 2-(benzoylmethyl)benzoate; 2'-O-(6-O-Benzoyl-?-D-glucopyranoside) 	C35H32O11	628.194461	NA	MeJP	NA	NA
+MJ087112	Trianguletin; 4'''-Hydroxy, 3-Me ether 	C35H32O11	628.194461	NA	MeJP	NA	NA
+MJ087113	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2'-(3-Phenylpropanoyl), 3'-(3-hydroxybutanoyl), 5',6'-di-Ac 	C35H32O11	628.194461	NA	MeJP	NA	NA
+PJ010202	GSPCCY 	C25H36N6O9S2	628.1985	NA	PeJP	NA	NA
+PJ010203	GGCDMF 	C25H36N6O9S2	628.1986	NA	PeJP	NA	NA
+MJ087114	2-Hydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzoic acid, 6-O-?-D-Glucopyranoside, 3'-hydroxy, 4'-Me ether, ?-D-glucopyranosyl ester 	C28H36O16	628.200335	NA	MeJP	NA	NA
+MJ087115	2-Hydroxybenzyl 2,3,6-trihydroxybenzoate; 2,6-Di-Me ether, 2',3-di-O-?-D-glucopyranoside 	C28H36O16	628.200335	NA	MeJP	NA	NA
+MJ087116	Austrocortilutein, 8-O-?-Gentiobioside 	C28H36O16	628.200335	NA	MeJP	NA	NA
+MJ087117	Kalopanaxin B 	C28H36O16	628.200335	NA	MeJP	NA	NA
+MJ087118	Mussaenosidic acid; 2'-O-[4-Hydroxybenzoyl-(?5)-?-D-apiofuranosyl] 	C28H36O16	628.200335	NA	MeJP	NA	NA
+MJ087119	Shanzhiside; 6-(4-Hydroxy-3,5-dimethoxybenzoyl), 8-Ac, Me ester 	C28H36O16	628.200335	NA	MeJP	NA	NA
+PJ010204	GSTCMM 	C22H40N6O9S3	628.2019	NA	PeJP	NA	NA
+MJ087120	Ambamustine 	C29H39Cl2FN4O4S	628.20531	NA	MeJP	NA	NA
+PJ010205	NDDEH 	C23H32N8O13	628.2089	NA	PeJP	NA	NA
+MJ087121	Mulberrofuran K 	C39H32O8	628.209718	NA	MeJP	NA	NA
+MJ087122	Sorocenol E 	C39H32O8	628.209718	NA	MeJP	NA	NA
+PJ010206	ACCFW 	C29H36N6O6S2	628.2138	NA	PeJP	NA	NA
+MJ087123	Scoloposide D 	C32H36O13	628.215591	NA	MeJP	NA	NA
+MJ087124	Uhdoside A 	C32H36O13	628.215591	NA	MeJP	NA	NA
+PJ010207	SNDMY 	C25H36N6O11S	628.2163	NA	PeJP	NA	NA
+C16541	Chlorophyllide b	C35H32MgN4O6	628.2172	NA	KEGG	NA	NA
+MetaCyc03996	chlorophyllide b []	C35H32N4O6MG1	628.217227	NA	metacyc	NA	NA
+PJ010208	SSSSMM 	C22H40N6O11S2	628.2197	NA	PeJP	NA	NA
+PJ010209	GDDHW 	C27H32N8O10	628.2242	NA	PeJP	NA	NA
+PJ010210	GSPCEH 	C24H36N8O10S	628.2275	NA	PeJP	NA	NA
+MJ087125	6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 12-Butanoyl, 2,9,14-tri-Ac 	C30H41ClO12	628.228654	NA	MeJP	NA	NA
+C09095	Gnidicin	C36H36O10	628.2308	NA	KEGG	NA	NA
+MJ087126	12-Hydroxydaphnetoxin; 12?-form, 12-Cinnamoyl 	C36H36O10	628.230847	NA	MeJP	NA	NA
+MJ087127	Calycopterone; 7-Me ether 	C36H36O10	628.230847	NA	MeJP	NA	NA
+MJ087128	Daphnetoxin; 12?-Cinnamoyloxy 	C36H36O10	628.230847	NA	MeJP	NA	NA
+PJ010211	SSCFW 	C29H36N6O8S	628.2315	NA	PeJP	NA	NA
+PJ010212	GTCYW 	C29H36N6O8S	628.2316	NA	PeJP	NA	NA
+PJ010213	SSSSDF 	C25H36N6O13	628.234	NA	PeJP	NA	NA
+PJ010214	GSSSEY 	C25H36N6O13	628.2341	NA	PeJP	NA	NA
+PJ010215	GQMMY 	C26H40N6O8S2	628.2349	NA	PeJP	NA	NA
+MJ087129	Laciniatoside V; 7-Ac 	C29H40O15	628.23672	NA	MeJP	NA	NA
+MJ087130	Sylvestroside IV; 7'-Alcohol, 7'-Ac 	C29H40O15	628.23672	NA	MeJP	NA	NA
+PJ010216	NNNMH 	C23H36N10O9S	628.2388	NA	PeJP	NA	NA
+MJ087131	Isothapsakone A 	C35H36N2O9	628.24208	NA	MeJP	NA	NA
+MJ087132	Thapsakin B; 10-Ketone 	C35H36N2O9	628.24208	NA	MeJP	NA	NA
+MJ087133	Thapsakin B; 3,4-Diepimer, 10-ketone 	C35H36N2O9	628.24208	NA	MeJP	NA	NA
+PJ010217	SPCHW 	C28H36N8O7S	628.2428	NA	PeJP	NA	NA
+PJ010218	SQEEH 	C24H36N8O12	628.2453	NA	PeJP	NA	NA
+PJ010219	GCMRY 	C25H40N8O7S2	628.2462	NA	PeJP	NA	NA
+MJ087134	Antibiotic A 201D 	C29H36N6O10	628.249291	NA	MeJP	NA	NA
+PJ010220	SSSYW 	C29H36N6O10	628.2493	NA	PeJP	NA	NA
+MJ087135	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 1,4,13-tri-Ac 	C33H40O12	628.251976	NA	MeJP	NA	NA
+MJ087136	Polystachin; 12-O-Deacyl, 12-O-(2-hydroxy-3-methylpentanoyl) 	C33H40O12	628.251976	NA	MeJP	NA	NA
+PJ010221	STQMY 	C26H40N6O10S	628.2527	NA	PeJP	NA	NA
+PJ010222	SDDHR 	C23H36N10O11	628.2565	NA	PeJP	NA	NA
+PJ010223	GGGGGGGGGP 	C23H36N10O11	628.2566	NA	PeJP	NA	NA
+PJ010224	GTEHW 	C28H36N8O9	628.2606	NA	PeJP	NA	NA
+PJ010225	STCRY 	C25H40N8O9S	628.2639	NA	PeJP	NA	NA
+PJ010226	NFYW 	C33H36N6O7	628.2646	NA	PeJP	NA	NA
+C09179	Resiniferatoxin	C37H40O9	628.2672	NA	KEGG	NA	NA
+MJ087137	Resiniferatoxin 	C37H40O9	628.267232	NA	MeJP	NA	NA
+PJ010227	GQMFF 	C30H40N6O7S	628.2679	NA	PeJP	NA	NA
+PJ010228	GGAMFF 	C30H40N6O7S	628.268	NA	PeJP	NA	NA
+PJ010229	GSTTTY 	C26H40N6O12	628.2704	NA	PeJP	NA	NA
+PJ010230	GPPTEE 	C26H40N6O12	628.2705	NA	PeJP	NA	NA
+PJ010231	GKMMY 	C27H44N6O7S2	628.2713	NA	PeJP	NA	NA
+PJ010232	CNQKH 	C24H40N10O8S	628.2751	NA	PeJP	NA	NA
+PJ010233	GEMHR 	C24H40N10O8S	628.2752	NA	PeJP	NA	NA
+PJ010234	THWW 	C32H36N8O6	628.2758	NA	PeJP	NA	NA
+MJ087138	Aglaine B; 10-Epimer, 19,20-didehydro(E-) 	C36H40N2O8	628.278466	NA	MeJP	NA	NA
+PJ010235	GVMHW 	C29H40N8O6S	628.2792	NA	PeJP	NA	NA
+PJ010236	SKEEH 	C25H40N8O11	628.2817	NA	PeJP	NA	NA
+PJ010237	AQHHH 	C26H36N12O7	628.283	NA	PeJP	NA	NA
+PJ010238	PPTEW 	C30H40N6O9	628.2857	NA	PeJP	NA	NA
+MJ087139	6-Acetoxy-14,15-epoxy-3,11-dihydroxymeliaca-1,5-dien-7-one, 3-O-L-Rhamnopyranoside 	C34H44O11	628.288362	NA	MeJP	NA	NA
+MJ087140	Compositolide 	C34H44O11	628.288362	NA	MeJP	NA	NA
+PJ010239	STKMY 	C27H44N6O9S	628.2891	NA	PeJP	NA	NA
+C18098	Primary fluorescent chlorophyll catabolite	C35H40N4O7	628.2897	NA	KEGG	NA	NA
+MetaCyc03997	pFCC [primary fluorescent catabolite;]	C35H40N4O7	628.2897	NA	metacyc	NA	NA
+PJ010240	MHRW 	C28H40N10O5S	628.2904	NA	PeJP	NA	NA
+PJ010241	STEHR 	C24H40N10O10	628.2929	NA	PeJP	NA	NA
+PJ010242	SSLHW 	C29H40N8O8	628.2969	NA	PeJP	NA	NA
+2722	erythromycin inhibitor	MSRHV	628.2994	NA	Inhouse_peptide	NA	peptide
+PJ010243	PPEMR 	C26H44N8O8S	628.3003	NA	PeJP	NA	NA
+C10062	Gambogic acid	C38H44O8	628.3036	NA	KEGG	NA	NA
+MJ087141	3,5,9,15-Tetrahydroxy-6(17),11-jatrophadien-14-one, 3-Benzoyl, 9-cinnamoyl, 5-Ac 	C38H44O8	628.303618	NA	MeJP	NA	NA
+MJ087142	Gambogellic acid 	C38H44O8	628.303618	NA	MeJP	NA	NA
+MJ087143	Gambogic acid 	C38H44O8	628.303618	NA	MeJP	NA	NA
+MJ087144	Morellin; 7-(3-Methyl-2-butenyl), 29-carboxylic acid 	C38H44O8	628.303618	NA	MeJP	NA	NA
+PJ010244	PPVMW 	C31H44N6O6S	628.3043	NA	PeJP	NA	NA
+PJ010245	AAPLEE 	C27H44N6O11	628.3068	NA	PeJP	NA	NA
+PJ010246	GPNRW 	C28H40N10O7	628.3082	NA	PeJP	NA	NA
+PJ010247	SVMHR 	C25H44N10O7S	628.3115	NA	PeJP	NA	NA
+PJ010248	GGCKKH 	C25H44N10O7S	628.3116	NA	PeJP	NA	NA
+PJ010249	PVEER 	C26H44N8O10	628.3181	NA	PeJP	NA	NA
+PJ010250	AKHHH 	C27H40N12O6	628.3194	NA	PeJP	NA	NA
+PJ010251	PVVEW 	C31H44N6O8	628.3221	NA	PeJP	NA	NA
+MJ087145	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-?-D-cymaropyranoside 	C35H48O10	628.324747	NA	MeJP	NA	NA
+PJ010252	APPTLM 	C28H48N6O8S	628.3255	NA	PeJP	NA	NA
+PJ010253	PNDKR 	C25H44N10O9	628.3293	NA	PeJP	NA	NA
+PJ010254	APQKW 	C30H44N8O7	628.3333	NA	PeJP	NA	NA
+MJ087146	Cephaeline, 2'-N-(1-Deoxy-?-D-fructopyranos-1-yl) 	C34H48N2O9	628.335981	NA	MeJP	NA	NA
+MJ087147	Cephaeline, 6'-Deoxy, 8'-hydroxy, 2'-N-(1-deoxy-?-D-fructopyranos-1-yl) 	C34H48N2O9	628.335981	NA	MeJP	NA	NA
+MJ087148	Lycoctonine; 18-O-(2-Acetamidobenzoyl) 	C34H48N2O9	628.335981	NA	MeJP	NA	NA
+PJ010255	TLKMH 	C27H48N8O7S	628.3367	NA	PeJP	NA	NA
+C11362	BQ 485	C35H44N6O5	628.3373	NA	KEGG	NA	NA
+MJ087149	Lycogaride D; O2-Deacyl 	C39H48O7	628.340003	NA	MeJP	NA	NA
+MJ087150	Lycogaride D; O3-Deacyl 	C39H48O7	628.340003	NA	MeJP	NA	NA
+PJ010256	SPNRR 	C24H44N12O8	628.3405	NA	PeJP	NA	NA
+MJ087151	Ervafolene 	C40H44N4O3	628.341341	NA	MeJP	NA	NA
+MJ087152	Pandaca caducifolia Alkaloid D 	C40H44N4O3	628.341341	NA	MeJP	NA	NA
+MJ087153	Tenuicausine; O-De-Me 	C40H44N4O3	628.341341	NA	MeJP	NA	NA
+MJ087154	Macrospegatrine 	C40H45N4O3(+)	628.341341	NA	MeJP	NA	NA
+PJ010257	GPTLLE 	C28H48N6O10	628.3432	NA	PeJP	NA	NA
+PJ010258	GLHFR 	C29H44N10O6	628.3446	NA	PeJP	NA	NA
+MJ087155	3,7-Dimethyl-1,6-octadien-3-ol, 3-O-[(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl)-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H52O12	628.345877	NA	MeJP	NA	NA
+8242	Antioxidative peptide	VIPMGL	628.3494	NA  ;SYN:(-)-Serine; (S)-2-Amino-3-hydroxypropanoate; (S)-2-Amino-3-hydroxypropanoic acid; (S)-2-amino-3-hydroxy-Propanoate; (S)-2-amino-3-hydroxy-Propanoic acid; (S)-Serine; (S)-a-Amino-b-hydroxypropionate; (S)-a-Amino-b-hydroxypropionic acid; (S)-alpha-Amino-beta-hydroxypropionate; (S)-alpha-Amino-beta-hydroxypropionic acid; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoate; 2-Amino-3-hydroxypropanoic acid; 3-hydroxy-L-Alanine; L-(-)-Serine; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-2-aminopropionic acid; L-3-Hydroxy-alanine; L-Ser; b-Hydroxy-L-alanine; beta-Hydroxy-L-alanine; beta-Hydroxyalanine; (S)-beta-Amino-3-hydroxypropionate; (S)-beta-Amino-3-hydroxypropionic acid; SerineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ010259	PQKKE 	C27H48N8O9	628.3544	NA	PeJP	NA	NA
+PJ010260	GAPKKE 	C27H48N8O9	628.3545	NA	PeJP	NA	NA
+PJ010261	PTLLW 	C32H48N6O7	628.3585	NA	PeJP	NA	NA
+MJ087156	12,13-Epoxy-2,3,21,22-tetrahydroxy-30-oleananoic acid, 30?22 Lactone,2,3,21-tri-Ac 	C36H52O9	628.361133	NA	MeJP	NA	NA
+MJ087157	3,22,24-Trihydroxy-11-oxo-12-oleanen-30-oic acid, Tri-Ac 	C36H52O9	628.361133	NA	MeJP	NA	NA
+MJ087158	Antibiotic VM 44866; 27?-Methoxy, 5-Me ether 	C36H52O9	628.361133	NA	MeJP	NA	NA
+MJ087159	Milbemycin ?1; 26-O-(3-Methylbutanoyloxy) 	C36H52O9	628.361133	NA	MeJP	NA	NA
+MJ087160	Onchitriol I; 13,15-Di-Ac 	C36H52O9	628.361133	NA	MeJP	NA	NA
+MJ087161	Onchitriol I; 4,13-Diepimer, 3,15-di-Ac 	C36H52O9	628.361133	NA	MeJP	NA	NA
+PJ010262	GPVLLM 	C29H52N6O7S	628.3619	NA	PeJP	NA	NA
+MJ087162	Lopinavir 	C37H48N4O5	628.36247	NA	MeJP	NA	NA
+C12871	Lopinavir	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12872	Transferred to D01426	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12873	Transferred to D01427	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12874	Transferred to D01428	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12875	Transferred to D01429	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12876	Transferred to D01430	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12877	Transferred to D01431	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12878	Transferred to D01432	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12879	Transferred to D01433	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12880	Transferred to D01434	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12881	Transferred to D01435	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12882	Transferred to D01436	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12883	Transferred to D01437	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12884	Transferred to D01438	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+C12885	Transferred to D01439	C37H48N4O5	628.3625	NA	KEGG	NA	NA
+PJ010263	PTQKR 	C26H48N10O8	628.3657	NA	PeJP	NA	NA
+8317	Anticancer peptide	VENLHLPLPLL	628.36745	MH2+	Inhouse_peptide	NA	peptide
+PJ010264	APKKW 	C31H48N8O6	628.3697	NA	PeJP	NA	NA
+MJ087163	Ferromycin 	C21H54N7O14	628.372874	NA	MeJP	NA	NA
+PJ010265	PLLMR 	C28H52N8O6S	628.3731	NA	PeJP	NA	NA
+MJ087164	2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione 	C40H52O6	628.376389	NA	MeJP	NA	NA
+PJ010266	GLQRR 	C25H48N12O7	628.3769	NA	PeJP	NA	NA
+MJ087165	Pimelautide 	C29H52N6O9	628.379577	NA	MeJP	NA	NA
+PJ010267	AALLLE 	C29H52N6O9	628.3796	NA	PeJP	NA	NA
+PJ010268	AARRR 	C24H48N14O6	628.3882	NA	PeJP	NA	NA
+PJ010269	VLLER 	C28H52N8O8	628.3908	NA	PeJP	NA	NA
+PJ010270	GGAALLK 	C28H52N8O8	628.3909	NA	PeJP	NA	NA
+PJ010271	VVLLW 	C33H52N6O6	628.3949	NA	PeJP	NA	NA
+MJ087166	2,3,23-Trihydroxy-12-oleanen-28-oic acid, Tri-Ac, Me ester 	C37H56O8	628.397518	NA	MeJP	NA	NA
+PJ010272	PTKKR 	C27H52N10O7	628.4021	NA	PeJP	NA	NA
+MJ087167	Plactin; Plactin C 	C32H52N8O5	628.406066	NA	MeJP	NA	NA
+MJ087168	Plactin; Plactin D 	C32H52N8O5	628.406066	NA	MeJP	NA	NA
+MJ087169	6-Chlorostigmastane-3,5-diol, 3-O-?-D-Glucopyranoside 	C35H61ClO7	628.410582	NA	MeJP	NA	NA
+MJ087170	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-Ac, (3-phenyl-2-propenyl) ester 	C41H56O5	628.412774	NA	MeJP	NA	NA
+MJ087171	Agelaxanthin C 	C41H56O5	628.412774	NA	MeJP	NA	NA
+PJ010273	GLKRR 	C26H52N12O6	628.4133	NA	PeJP	NA	NA
+PJ010274	GTLLLL 	C30H56N6O8	628.416	NA	PeJP	NA	NA
+MJ087172	Cholestane-3,4,6,8,15,24-hexol, 3-O-(2,4-Di-O-methyl-?-D-xylopyranoside) 	C34H60O10	628.418648	NA	MeJP	NA	NA
+MJ087173	Ferensimycin A 	C34H60O10	628.418648	NA	MeJP	NA	NA
+MJ087174	Lysocellin 	C34H60O10	628.418648	NA	MeJP	NA	NA
+MJ087175	Stigmastane-3,6,8,15,16,29-hexol, 29-O-?-L-Arabinofuranoside 	C34H60O10	628.418648	NA	MeJP	NA	NA
+PJ010275	LLQKK 	C29H56N8O7	628.4272	NA	PeJP	NA	NA
+MJ087176	9-Hydroxy-3-methyl-2-decenoic acid, O-(15Z-Docosenoyl), 2-sulfoethyl ester 	C35H64O7S	628.437275	NA	MeJP	NA	NA
+PJ010276	VVKKR 	C28H56N10O6	628.4385	NA	PeJP	NA	NA
+MJ087177	1,1',2,2'-Tetrahydro-1,1'-dihydroxy-?,?-carotene-4,4'-dione; Di-Me ether 	C42H60O4	628.44916	NA	MeJP	NA	NA
+C16278	R.g.-Keto III	C42H60O4	628.4492	NA	KEGG	NA	NA
+MJ087178	Annohexocin 	C35H64O9	628.455033	NA	MeJP	NA	NA
+MJ087179	Gardnerinin 	C35H64O9	628.455033	NA	MeJP	NA	NA
+MJ087180	Muricoreacin 	C35H64O9	628.455033	NA	MeJP	NA	NA
+MJ087181	Murihexocin A 	C35H64O9	628.455033	NA	MeJP	NA	NA
+PJ010277	LLKKK 	C30H60N8O6	628.4636	NA	PeJP	NA	NA
+HMDB07090	DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C40H68O5	628.506653	NA	HMDB2010	NA	NA
+HMDB07091	DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C40H68O5	628.506653	NA	HMDB2010	NA	NA
+HMDB07706	DG(22:5(4Z,7Z,10Z,13Z,16Z)/15:0/0:0)	C40H68O5	628.506653	NA	HMDB2010	NA	NA
+HMDB07735	DG(22:5(7Z,10Z,13Z,16Z,19Z)/15:0/0:0)	C40H68O5	628.506653	NA	HMDB2010	NA	NA
+MJ087182	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Ac, octacosyl ester 	C40H68O5	628.506675	NA	MeJP	NA	NA
+MJ087183	Parvifolinic acid 	C42H76O3	628.579446	NA	MeJP	NA	NA
+3665	drug-binding peptide	VCDWWGWGIC	628.72895	MH2+	Inhouse_peptide	NA	peptide
+MJ087184	Anazolene 	C26H19N3O10S3	629.023255	NA	MeJP	NA	NA
+MJ087185	Oganomycin A 	C24H27N3O13S2	629.098529	NA	MeJP	NA	NA
+PJ010278	GCCCNM 	C20H35N7O8S4	629.143	NA	PeJP	NA	NA
+PJ010279	SSCCCQ 	C20H35N7O10S3	629.1608	NA	PeJP	NA	NA
+PJ010280	CDDDY 	C24H31N5O13S	629.1639	NA	PeJP	NA	NA
+PJ010281	CDMMM 	C22H39N5O8S4	629.1682	NA	PeJP	NA	NA
+MJ087186	?-(2,4-Difluorophenyl)-?-[1-[[2-[4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadienyl]-1,3-dioxan-5-yl]thio]ethyl]-1H-1,2,4-triazole-1-ethanol 	C29H29F6N3O4S	629.178296	NA	MeJP	NA	NA
+PJ010282	GSSSSCC 	C20H35N7O12S2	629.1785	NA	PeJP	NA	NA
+PJ010283	ACCCCK 	C21H39N7O7S4	629.1794	NA	PeJP	NA	NA
+PJ010284	CDDMF 	C25H35N5O10S2	629.1826	NA	PeJP	NA	NA
+PJ010285	CCMHH 	C23H35N9O6S3	629.1873	NA	PeJP	NA	NA
+PJ010286	DDDEH 	C23H31N7O14	629.1929	NA	PeJP	NA	NA
+PJ010287	CCNQY 	C24H35N7O9S2	629.1938	NA	PeJP	NA	NA
+PJ010288	SSCCCK 	C21H39N7O9S3	629.1972	NA	PeJP	NA	NA
+PJ010289	SDDMY 	C25H35N5O12S	629.2003	NA	PeJP	NA	NA
+PJ010290	SMMMM 	C23H43N5O7S4	629.2045	NA	PeJP	NA	NA
+PJ010291	GPCCNH 	C23H35N9O8S2	629.205	NA	PeJP	NA	NA
+PJ010292	GSSCNY 	C24H35N7O11S	629.2115	NA	PeJP	NA	NA
+PJ010293	GGGSSCY 	C24H35N7O11S	629.2116	NA	PeJP	NA	NA
+PJ010294	GEMMY 	C26H39N5O9S2	629.2189	NA	PeJP	NA	NA
+PJ010295	NNDMH 	C23H35N9O10S	629.2228	NA	PeJP	NA	NA
+PJ010296	SEEEH 	C24H35N7O13	629.2293	NA	PeJP	NA	NA
+PJ010297	CCNKY 	C25H39N7O8S2	629.2302	NA	PeJP	NA	NA
+PJ010298	GDEFY 	C29H35N5O11	629.2333	NA	PeJP	NA	NA
+PJ010299	MMYW 	C30H39N5O6S2	629.2342	NA	PeJP	NA	NA
+PJ010300	STEMY 	C26H39N5O11S	629.2367	NA	PeJP	NA	NA
+PJ010301	AMMMF 	C27H43N5O6S3	629.2376	NA	PeJP	NA	NA
+PJ010302	GCQHW 	C27H35N9O7S	629.238	NA	PeJP	NA	NA
+PJ010303	GGACHW 	C27H35N9O7S	629.2381	NA	PeJP	NA	NA
+PJ010304	GSSNEH 	C23H35N9O12	629.2405	NA	PeJP	NA	NA
+PJ010305	GGGSSEH 	C23H35N9O12	629.2406	NA	PeJP	NA	NA
+PJ010306	GNNYY 	C28H35N7O10	629.2446	NA	PeJP	NA	NA
+MJ087187	Rubomycin M; 13-Deoxo, O-de-Me 	C32H39NO12	629.247225	NA	MeJP	NA	NA
+PJ010307	VDEMH 	C25H39N7O10S	629.2479	NA	PeJP	NA	NA
+PJ010308	DFYW 	C33H35N5O8	629.2486	NA	PeJP	NA	NA
+PJ010309	PCHHH 	C26H35N11O6S	629.2493	NA	PeJP	NA	NA
+PJ010310	GPMYY 	C30H39N5O8S	629.252	NA	PeJP	NA	NA
+PJ010311	SVMMY 	C27H43N5O8S2	629.2553	NA	PeJP	NA	NA
+PJ010312	SSNHW 	C27H35N9O9	629.2558	NA	PeJP	NA	NA
+2734	regulating the frequency of heart muscles contraction peptide	ARRCYNDPKC	629.2589	MH2+	Inhouse_peptide	NA	peptide
+PJ010313	SQQMH 	C24H39N9O9S	629.2592	NA	PeJP	NA	NA
+PJ010314	PPCQW 	C29H39N7O7S	629.2632	NA	PeJP	NA	NA
+PJ010315	PQQEE 	C25H39N7O12	629.2657	NA	PeJP	NA	NA
+PJ010316	AEHHH 	C26H35N11O8	629.267	NA	PeJP	NA	NA
+PJ010317	MFFW 	C34H39N5O5S	629.2672	NA	PeJP	NA	NA
+PJ010318	GVEYY 	C30H39N5O10	629.2697	NA	PeJP	NA	NA
+PJ010319	SCQHR 	C23H39N11O8S	629.2704	NA	PeJP	NA	NA
+7849	NA	YPFFG	629.272	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ087188	Spermidine; N'-(3,4-Dihydroxycinnamoyl), N-(4-hydroxycinnamoyl), N''-(4-hydroxy-3-methoxycinnamoyl) 	C35H39N3O8	629.273715	NA	MeJP	NA	NA
+PJ010320	GCKHW 	C28H39N9O6S	629.2744	NA	PeJP	NA	NA
+PJ010321	PNDER 	C24H39N9O11	629.2769	NA	PeJP	NA	NA
+PJ010322	APQEW 	C29H39N7O9	629.2809	NA	PeJP	NA	NA
+PJ010323	GAAPEW 	C29H39N7O9	629.281	NA	PeJP	NA	NA
+MJ087189	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, 14-benzoyl, 8-Ac, N-formyl 	C33H43NO11	629.283611	NA	MeJP	NA	NA
+MJ087190	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O6,O16,O18-Tri-Me, 14-benzoyl, 8,N-di-Ac 	C33H43NO11	629.283611	NA	MeJP	NA	NA
+PJ010324	TLEMH 	C26H43N7O9S	629.2843	NA	PeJP	NA	NA
+PJ010325	VYYW 	C34H39N5O7	629.285	NA	PeJP	NA	NA
+PJ010326	GSSSHR 	C23H39N11O10	629.2882	NA	PeJP	NA	NA
+PJ010327	GLMFY 	C31H43N5O7S	629.2883	NA	PeJP	NA	NA
+PJ010328	GPDRW 	C28H39N9O8	629.2922	NA	PeJP	NA	NA
+PJ010329	SQKMH 	C25H43N9O8S	629.2955	NA	PeJP	NA	NA
+PJ010330	GPPTCR 	C25H43N9O8S	629.2956	NA	PeJP	NA	NA
+PJ010331	AAPWW 	C33H39N7O6	629.2962	NA	PeJP	NA	NA
+MJ087191	Electrin 3 	C30H43N7O6S	629.299552	NA	MeJP	NA	NA
+PJ010332	PPCKW 	C30H43N7O6S	629.2996	NA	PeJP	NA	NA
+PJ010333	PQKEE 	C26H43N7O11	629.3021	NA	PeJP	NA	NA
+PJ010334	VLMMH 	C27H47N7O6S2	629.303	NA	PeJP	NA	NA
+PJ010335	GNHFR 	C27H39N11O7	629.3034	NA	PeJP	NA	NA
+PJ010336	ATLYY 	C31H43N5O9	629.3061	NA	PeJP	NA	NA
+PJ010337	SCKHR 	C24H43N11O7S	629.3068	NA	PeJP	NA	NA
+MJ087192	Paromomycin; 3-N-Me 	C24H47N5O14	629.311951	NA	MeJP	NA	NA
+PJ010338	PTQER 	C25H43N9O10	629.3133	NA	PeJP	NA	NA
+PJ010339	APKEW 	C30H43N7O8	629.3173	NA	PeJP	NA	NA
+PJ010340	GGGPPVF 	C30H43N7O8	629.3174	NA	PeJP	NA	NA
+MJ087193	Destruxin E; Destruxin E chlorohydrin 	C29H48ClN5O8	629.319141	NA	MeJP	NA	NA
+MJ087194	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac 	C34H47NO10	629.319996	NA	MeJP	NA	NA
+MJ087195	Duclouxine 	C34H47NO10	629.319996	NA	MeJP	NA	NA
+MJ087196	Falaconitine 	C34H47NO10	629.319996	NA	MeJP	NA	NA
+MJ087197	Ludaconitine; 8-Ac 	C34H47NO10	629.319996	NA	MeJP	NA	NA
+C08683	Falaconitine	C34H47NO10	629.32	NA	KEGG	NA	NA
+C08691	Indaconitine	C34H47NO10	629.32	NA	KEGG	NA	NA
+PJ010341	GPPTKM 	C27H47N7O8S	629.3207	NA	PeJP	NA	NA
+PJ010342	GLFFF 	C35H43N5O6	629.3214	NA	PeJP	NA	NA
+PJ010343	SPDRR 	C24H43N11O9	629.3245	NA	PeJP	NA	NA
+PJ010344	GAAQQR 	C24H43N11O9	629.3246	NA	PeJP	NA	NA
+PJ010345	APTRW 	C29H43N9O7	629.3286	NA	PeJP	NA	NA
+PJ010346	PVQMR 	C26H47N9O7S	629.3319	NA	PeJP	NA	NA
+PJ010347	GGPLMR 	C26H47N9O7S	629.332	NA	PeJP	NA	NA
+PJ010348	GNQRR 	C23H43N13O8	629.3358	NA	PeJP	NA	NA
+PJ010349	PKKEE 	C27H47N7O10	629.3385	NA	PeJP	NA	NA
+3596	heparin-binding peptide	WQWRSKKLGA	629.3395	MH2+	Inhouse_peptide	NA	peptide
+PJ010350	APMRR 	C25H47N11O6S	629.3432	NA	PeJP	NA	NA
+PJ010351	PTKER 	C26H47N9O9	629.3497	NA	PeJP	NA	NA
+PJ010352	SPLKW 	C31H47N7O7	629.3537	NA	PeJP	NA	NA
+MJ087198	Ganefromycin ?; 21-Epimer, O-de-Me 	C35H51NO9	629.356382	NA	MeJP	NA	NA
+MJ087199	Ganefromycin ?; O-De-Me 	C35H51NO9	629.356382	NA	MeJP	NA	NA
+MJ087200	Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-?-D-galactopyranoside) 	C35H51NO9	629.356382	NA	MeJP	NA	NA
+PJ010353	AAPLKM 	C28H51N7O7S	629.3571	NA	PeJP	NA	NA
+PJ010354	GLERR 	C25H47N11O8	629.3609	NA	PeJP	NA	NA
+PJ010355	GGGGVKR 	C25H47N11O8	629.361	NA	PeJP	NA	NA
+PJ010356	GVLRW 	C30H47N9O6	629.365	NA	PeJP	NA	NA
+PJ010357	PVKMR 	C27H51N9O6S	629.3683	NA	PeJP	NA	NA
+EUR793	Lyso PC 22:5 [M-H+acetate]-	C30H52NO7P	629.369242	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR793	Lyso PC 22:5 [M-H+acetate]-	C30H52NO7P	629.369242	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR793	Lyso PC 22:5 [M-H+acetate]-	C30H52NO7P	629.369242	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR793	Lyso PC 22:5 [M-H+acetate]-	C30H52NO7P	629.369242	masses lipides attendues	Inhousejuil11	NA	NA
+MJ087201	Janthitrem E; O10-Ac, 22-deoxy 	C39H51NO6	629.371638	NA	MeJP	NA	NA
+PJ010358	GNKRR 	C24H47N13O7	629.3722	NA	PeJP	NA	NA
+PJ010359	LLQKE 	C28H51N7O9	629.3748	NA	PeJP	NA	NA
+PJ010360	GALLKE 	C28H51N7O9	629.3749	NA	PeJP	NA	NA
+PJ010361	LRRW 	C29H47N11O5	629.3762	NA	PeJP	NA	NA
+PJ010362	VVKER 	C27H51N9O8	629.3861	NA	PeJP	NA	NA
+PJ010363	ALLKW 	C32H51N7O6	629.3901	NA	PeJP	NA	NA
+PJ010364	SVLRR 	C26H51N11O7	629.3973	NA	PeJP	NA	NA
+PJ010365	LLKKE 	C29H55N7O8	629.4112	NA	PeJP	NA	NA
+PJ010366	TLLKR 	C28H55N9O7	629.4225	NA	PeJP	NA	NA
+PJ010367	AKKKR 	C27H55N11O6	629.4337	NA	PeJP	NA	NA
+EUR800	Lyso PC 24:0 [M+Na]+	C32H66NO7P	629.439638	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR800	Lyso PC 24:0 [M+Na]+	C32H66NO7P	629.439638	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR800	Lyso PC 24:0 [M+Na]+	C32H66NO7P	629.439638	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR800	Lyso PC 24:0 [M+Na]+	C32H66NO7P	629.439638	masses lipides attendues	Inhousejuil11	NA	NA
+PJ010368	VKKKK 	C29H59N9O6	629.4589	NA	PeJP	NA	NA
+C10154	Juliflorine	C40H75N3O2	629.5859	NA	KEGG	NA	NA
+MJ087202	Juliflorine 	C40H75N3O2	629.585928	NA	MeJP	NA	NA
+MJ087203	4,11,12,13-Tetrabromo-3,10-dibutyl-1,6,8-trioxadispiro[4.1.4.2]trideca-3,10,12-triene-2,9-dione 	C18H18Br4O5	629.788774	NA	MeJP	NA	NA
+EUR010	phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.9553	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR010	phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.9553	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR010	phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.9553	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR010	phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.9553	Wishlist	Inhousejuil11	NA	NA
+HMDB04249	Phosphatidylinositol-3,4,5-trisphosphate	C11H22O22P4	629.95532	http://www.hmdb.ca/metabolites/HMDB04249	HMDB	NA	NA
+HMDB04249	Phosphatidylinositol-3,4,5-trisphosphate	C11H22O22P4	629.95532	HMDB04249	PFEM_hmdb_metabocards_official	NA	NA
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	HMDB	NA	NA
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	Inhouse_PFEM	NA	NA
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR010	Phosphatidylinositol (3,4,5)-triphosphate (PIP3)	C11H22O22P4	629.955332	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+C11521	UDP-6-sulfoquinovose	C15H24N2O19P2S	630.0169	NA	KEGG	NA	NA
+MetaCyc03998	UDP-sulfoquinovose [UDP-6-sulfoquinovose;]	C15H24N2O19P2S1	630.01692	NA	metacyc	NA	NA
+C11599	IAARh123	C28H19IN5O5	630.0432	NA	KEGG	NA	NA
+MJ087204	Emestrin; Trithio analogue 	C27H22N2O10S3	630.043657	NA	MeJP	NA	NA
+MJ087205	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl) 	C28H22O17	630.085699	NA	MeJP	NA	NA
+MJ087206	3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, 5-O-[3,4,5-Trihydroxybenzoyl-(??)-3,4,5-trihydroxybenzoyl-(??)-3,4,5-trihydroxybenzoyl] 	C28H22O17	630.085699	NA	MeJP	NA	NA
+C08567	Prebetanin	C24H26N2O16S	630.1003	NA	KEGG	NA	NA
+MJ087207	Betanidin; 5-O-(3-O-Sulfo-?-D-glucopyranoside) 	C24H26N2O16S	630.100303	NA	MeJP	NA	NA
+MJ087208	Betanidin; 5-O-(6-O-Sulfo-?-D-glucopyranoside) 	C24H26N2O16S	630.100303	NA	MeJP	NA	NA
+MJ087209	?-Actinorhodin 	C32H22O14	630.100955	NA	MeJP	NA	NA
+MJ087210	Strychnobiflavone 	C32H22O14	630.100955	NA	MeJP	NA	NA
+PJ010369	PCCCCC 	C20H34N6O7S5	630.1093	NA	PeJP	NA	NA
+FL5FADGL0037	Isorhamnetin 3-(6''-galloylglucoside)	C29H26O16	630.12208	115651-94-0	knapsack	NA	NA
+FL5FAGGM0001	2'-C-Methylmyricetin 3-rhamnoside-5'-gallate;5-[3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2,3-dihydroxy-4-methylphenyl ester 3,4,5-trihydroxy-benzoic acid	C29H26O16	630.12208	244137-68-6	knapsack	NA	NA
+FL5FCGGS0003	Myricetin 3-(2''-galloylrhamnoside);3-[[6-Deoxy-2-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C29H26O16	630.12208	272128-13-9	knapsack	NA	NA
+MJ087211	2-Cinnamoyl-1,6-digalloylglucose; ?-D-Pyranose-form, 4''-Hydroxy 	C29H26O16	630.122084	NA	MeJP	NA	NA
+MJ087212	3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3-O-[3,4,5-trihydroxybenzoyl-(?2)-?-L-rhamnopyranoside] 	C29H26O16	630.122084	NA	MeJP	NA	NA
+MJ087213	3,3',4',5,5',7-Hexahydroxyflavone; 7-Me ether, 3-O-[3,4,5-trihydroxybenzoyl-(?3)-?-L-rhamnopyranoside] 	C29H26O16	630.122084	NA	MeJP	NA	NA
+MJ087214	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-(3,4,5-Trihydroxybenzoyl) 	C29H26O16	630.122084	NA	MeJP	NA	NA
+MJ087215	6-O-p-Coumaroylglucose; ?-D-Pyranose-form, 1,2-Bis(3,4,5-trihydroxybenzoyl) 	C29H26O16	630.122084	NA	MeJP	NA	NA
+PJ010370	GCCCDM 	C20H34N6O9S4	630.127	NA	PeJP	NA	NA
+C04491	Cyanidin-3-rhamnoglucoside chloride	C27H31O15	630.1351	NA	KEGG	NA	NA
+MJ087216	CMP-N-glycoloylneuraminate 	C20H31N4O17P	630.142182	NA	MeJP	NA	NA
+MetaCyc03999	CMP-N-glycoloylneuraminate [CMP-N-glycolylneuraminate;]	C20H31N4O17P1	630.142182	NA	metacyc	NA	NA
+C03691	CMP-N-glycoloylneuraminate	C20H31N4O17P	630.1422	NA	KEGG	NA	NA
+C03692	1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol	C11H16O10R2	630.1422	NA	KEGG	NA	NA
+HMDB12206	CMP-N-glycoloylneuraminate	C20H31N4O17P	630.142212	NA	HMDB2010	NA	NA
+PJ010371	SSCCCE 	C20H34N6O11S3	630.1448	NA	PeJP	NA	NA
+MJ087217	2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-(2-O-vanilloyl-?-D-glucopyranoside) 	C30H30O15	630.15847	NA	MeJP	NA	NA
+MJ087218	4-(4-Hydroxyphenyl)-2-butanone; O-[2,6-Bis(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C30H30O15	630.15847	NA	MeJP	NA	NA
+PJ010372	GSCCMM 	C21H38N6O8S4	630.1634	NA	PeJP	NA	NA
+MJ087219	Antibiotic SC 30532 	C34H30O12	630.173726	NA	MeJP	NA	NA
+MJ087220	Orientoside A 	C34H30O12	630.173726	NA	MeJP	NA	NA
+MJ087221	?-Naphthocyclinone 	C34H30O12	630.173726	NA	MeJP	NA	NA
+MJ087222	Polyoxin F 	C23H30N6O15	630.176914	NA	MeJP	NA	NA
+PJ010373	CCNEY 	C24H34N6O10S2	630.1778	NA	PeJP	NA	NA
+FL6DAGGS0003	Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside)	C27H34O17	630.17959	76520-51-9	knapsack	NA	NA
+MJ087223	1,5-Anhydroglucitol, 6-O-(3,4,5-Trihydroxybenzoyl), 2-O-(dihydroxy-3,4,5-trihydroxybenzoyloxybenzoyl) 	C27H34O17	630.179599	NA	MeJP	NA	NA
+MJ087224	3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C27H34O17	630.179599	NA	MeJP	NA	NA
+PJ010374	SSTCCM 	C21H38N6O10S3	630.1812	NA	PeJP	NA	NA
+PJ010375	GPCCDH 	C23H34N8O9S2	630.1891	NA	PeJP	NA	NA
+PJ010376	GCCYW 	C28H34N6O7S2	630.1931	NA	PeJP	NA	NA
+MJ087225	Nyctanthoside; 6,7-Dibenzoyl 	C31H34O14	630.194855	NA	MeJP	NA	NA
+MJ087226	Paeoniflorin; 4''-Hydroxy, 6'-(4-methoxybenzoyl) 	C31H34O14	630.194855	NA	MeJP	NA	NA
+MJ087227	Rutaretin, 1'-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C31H34O14	630.194855	NA	MeJP	NA	NA
+PJ010377	GSSCDY 	C24H34N6O12S	630.1956	NA	PeJP	NA	NA
+PJ010378	CCQMF 	C25H38N6O7S3	630.1964	NA	PeJP	NA	NA
+PJ010379	NDDMH 	C23H34N8O11S	630.2068	NA	PeJP	NA	NA
+PJ010380	CCCFR 	C24H38N8O6S3	630.2077	NA	PeJP	NA	NA
+MJ087228	Kodaistatin A 	C35H34O11	630.210111	NA	MeJP	NA	NA
+MJ087229	[[4'-[[3-Butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; tert-Butyl ester 	C31H33F3N4O5S	630.212375	NA	MeJP	NA	NA
+PJ010381	SCQMY 	C25H38N6O9S2	630.2142	NA	PeJP	NA	NA
+PJ010382	GSCNNH 	C22H34N10O10S	630.218	NA	PeJP	NA	NA
+PJ010383	GGGGGSCH 	C22H34N10O10S	630.2181	NA	PeJP	NA	NA
+PJ010384	GCEHW 	C27H34N8O8S	630.2221	NA	PeJP	NA	NA
+PJ010385	GSSDEH 	C23H34N8O13	630.2246	NA	PeJP	NA	NA
+MJ087230	Albanol A; 3''-(3-Methyl-2-butenyl) 	C39H34O8	630.225368	NA	MeJP	NA	NA
+PJ010386	SCCRY 	C24H38N8O8S2	630.2254	NA	PeJP	NA	NA
+PJ010387	GNDYY 	C28H34N6O11	630.2286	NA	PeJP	NA	NA
+MJ087231	Fraxiformoside 	C32H38O13	630.231241	NA	MeJP	NA	NA
+MJ087232	Isoligustrosidic acid; (4-Hydroxyphenyl)ethyl ester 	C32H38O13	630.231241	NA	MeJP	NA	NA
+MJ087233	Lustromycin 	C32H38O13	630.231241	NA	MeJP	NA	NA
+PJ010388	GSSSMY 	C25H38N6O11S	630.2319	NA	PeJP	NA	NA
+PJ010389	GPPDDM 	C25H38N6O11S	630.232	NA	PeJP	NA	NA
+MJ087234	Antibiotic AT 2433; Antibiotic AT 2433B2 	C33H34N4O9	630.232578	NA	MeJP	NA	NA
+PJ010390	CCKMF 	C26H42N6O6S3	630.2328	NA	PeJP	NA	NA
+MetaCyc04000	7-hydroxy-chlorophyllide a [7-OH-chlorophyllide a;]	C35H34N4O6MG1	630.232877	NA	metacyc	NA	NA
+C16540	7-Hydroxychlorophyllide a	C35H34MgN4O6	630.2329	NA	KEGG	NA	NA
+C18156	Bacteriochlorophyllide b	C35H34MgN4O6	630.2329	NA	KEGG	NA	NA
+PJ010391	CHWW 	C31H34N8O5S	630.2373	NA	PeJP	NA	NA
+PJ010392	SSDHW 	C27H34N8O10	630.2398	NA	PeJP	NA	NA
+MJ087235	Mappicine, O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H38N2O12	630.242474	NA	MeJP	NA	NA
+PJ010393	SQEMH 	C24H38N8O10S	630.2432	NA	PeJP	NA	NA
+MJ087236	3,5,6,7-Tetrahydroxy-19-vouacapanoic acid, 6,7-Dibenzoyl, 3-Ac 	C36H38O10	630.246497	NA	MeJP	NA	NA
+MJ087237	4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide, 6,7-Dibenzoyl, 19-Ac 	C36H38O10	630.246497	NA	MeJP	NA	NA
+PJ010394	PPCEW 	C29H38N6O8S	630.2472	NA	PeJP	NA	NA
+PJ010395	SSSSTY 	C25H38N6O13	630.2497	NA	PeJP	NA	NA
+PJ010396	SCKMY 	C26H42N6O8S2	630.2506	NA	PeJP	NA	NA
+8281	Antioxidative peptide	YGYTGA	630.252	NA  ;SYN:3-methyl-L-histidine; 3-methylhistidine; N(pi)-methyl-l-histidine; Tau-methylhistidine; l-3-methylhistidine; 3-N-Methyl-L-histidine; N3-Methyl-L-histidine; Tau-Methyl-L-histidine; pi-Methyl-L-histidine; N(pai)-Methyl-L-histidine; N(pros)-methyl-L-histidine; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ087238	Apicycline 	C30H38N4O11	630.253708	NA	MeJP	NA	NA
+PJ010397	SCEHR 	C23H38N10O9S	630.2544	NA	PeJP	NA	NA
+MJ087239	Aglaforbesine-type C35H38N2O9 flavagline 	C35H38N2O9	630.25773	NA	MeJP	NA	NA
+MJ087240	Thapsakin B 	C35H38N2O9	630.25773	NA	MeJP	NA	NA
+PJ010398	GTMHW 	C28H38N8O7S	630.2584	NA	PeJP	NA	NA
+PJ010399	GAPCHF 	C28H38N8O7S	630.2585	NA	PeJP	NA	NA
+PJ010400	GSTTEH 	C24H38N8O12	630.2609	NA	PeJP	NA	NA
+PJ010401	PDDER 	C24H38N8O12	630.261	NA	PeJP	NA	NA
+PJ010402	VNMMH 	C25H42N8O7S2	630.2618	NA	PeJP	NA	NA
+PJ010403	SNHHH 	C25H34N12O8	630.2623	NA	PeJP	NA	NA
+PJ010404	SSQFY 	C29H38N6O10	630.2649	NA	PeJP	NA	NA
+PJ010405	APEEW 	C29H38N6O10	630.265	NA	PeJP	NA	NA
+MJ087241	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-tigloyl, 1,6,14-tri-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087242	11(15?1)-Abeo-2,20-epoxy-11-taxene-4,5,7,9,10,13,15-heptol, 9-Benzoyl, 4,7,13-tri-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087243	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4,7-tri-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087244	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2-Benzoyl, 4,7,9-tri-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087245	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9-Benzoyl, 2,4,7-tri-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087246	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 10-(3-hydroxybutanoyl), 4-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087247	Humilinolide A; 6-Ac 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087248	Nymania 3; 1,2-Dihydro, 1?-acetoxy 	C33H42O12	630.267626	NA	MeJP	NA	NA
+MJ087249	Utilin C 	C33H42O12	630.267626	NA	MeJP	NA	NA
+PJ010406	GPPTEM 	C26H42N6O10S	630.2683	NA	PeJP	NA	NA
+PJ010407	NNQQQ 	C23H38N10O11	630.2722	NA	PeJP	NA	NA
+PJ010408	CCLHR 	C24H42N10O6S2	630.273	NA	PeJP	NA	NA
+PJ010409	GMMHR 	C24H42N10O6S2	630.2731	NA	PeJP	NA	NA
+MJ087250	Neapolitanose; 1-O-Octanoyl 	C26H46O17	630.2735	NA	MeJP	NA	NA
+PJ010410	STTHW 	C28H38N8O9	630.2762	NA	PeJP	NA	NA
+PJ010411	SKEMH 	C25H42N8O9S	630.2796	NA	PeJP	NA	NA
+PJ010412	GNFFF 	C33H38N6O7	630.2802	NA	PeJP	NA	NA
+PJ010413	NNNNR 	C22H38N12O10	630.2834	NA	PeJP	NA	NA
+PJ010414	PPTMW 	C30H42N6O7S	630.2836	NA	PeJP	NA	NA
+PJ010415	PKEEE 	C26H42N6O12	630.2861	NA	PeJP	NA	NA
+PJ010416	GPPVMM 	C27H46N6O7S2	630.287	NA	PeJP	NA	NA
+PJ010417	GDHFR 	C27H38N10O8	630.2874	NA	PeJP	NA	NA
+7690	ACE inhibitor from red algae	AKYSY	630.289	antioxidative	Inhouse_peptide	NA	peptide
+PJ010418	STMHR 	C24H42N10O8S	630.2908	NA	PeJP	NA	NA
+PJ010419	AAHFW 	C32H38N8O6	630.2915	NA	PeJP	NA	NA
+MJ087251	Aglaforbesine A 	C36H42N2O8	630.294116	NA	MeJP	NA	NA
+MJ087252	Aglaine B 	C36H42N2O8	630.294116	NA	MeJP	NA	NA
+PJ010420	PCKHF 	C29H42N8O6S	630.2948	NA	PeJP	NA	NA
+MJ087253	Antibiotic WIN 64745 	C37H38N6O4	630.295453	NA	MeJP	NA	NA
+MJ087254	Antibiotic 477-2h 	C24H46N4O15	630.295966	NA	MeJP	NA	NA
+PJ010421	PTEER 	C25H42N8O11	630.2973	NA	PeJP	NA	NA
+PJ010422	GGGGAALE 	C25H42N8O11	630.2974	NA	PeJP	NA	NA
+PJ010423	PPMMR 	C26H46N8O6S2	630.2982	NA	PeJP	NA	NA
+PJ010424	SPLEW 	C30H42N6O9	630.3013	NA	PeJP	NA	NA
+PJ010425	PVTEW 	C30H42N6O9	630.3014	NA	PeJP	NA	NA
+MJ087255	3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-6-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2(3H)-benzothiazolone 	C36H43FN4O3S	630.30399	NA	MeJP	NA	NA
+MJ087256	19-Hydroxyingol; 7,8-Ditigloyl, 3,12-di-Ac 	C34H46O11	630.304012	NA	MeJP	NA	NA
+MJ087257	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,12-Ditigloyl, di-Ac 	C34H46O11	630.304012	NA	MeJP	NA	NA
+MJ087258	Ekebergin 	C34H46O11	630.304012	NA	MeJP	NA	NA
+PJ010426	AAPLEM 	C27H46N6O9S	630.3047	NA	PeJP	NA	NA
+MJ087259	Hybrimycin A1 	C23H46N6O14	630.3072	NA	MeJP	NA	NA
+PJ010427	AQQER 	C24H42N10O10	630.3086	NA	PeJP	NA	NA
+PJ010428	SPNKW 	C29H42N8O8	630.3126	NA	PeJP	NA	NA
+C08684	Finaconitine	C33H46N2O10	630.3152	NA	KEGG	NA	NA
+PJ010429	PQQKM 	C26H46N8O8S	630.3159	NA	PeJP	NA	NA
+PJ010430	PVEMR 	C26H46N8O8S	630.316	NA	PeJP	NA	NA
+MJ087260	Gambogenin; 29-Carboxylic acid 	C38H46O8	630.319268	NA	MeJP	NA	NA
+MJ087261	Marmin, 6'-O-(4-Geranyloxy-2-hydroxycinnamoyl) 	C38H46O8	630.319268	NA	MeJP	NA	NA
+PJ010431	GNERR 	C23H42N12O9	630.3198	NA	PeJP	NA	NA
+PJ010432	PVVMW 	C31H46N6O6S	630.32	NA	PeJP	NA	NA
+PJ010433	LLQEE 	C27H46N6O11	630.3225	NA	PeJP	NA	NA
+PJ010434	AAQRW 	C28H42N10O7	630.3238	NA	PeJP	NA	NA
+MJ087262	Colominic acid(non-reducing N- or O-acylneuraminyl residue) 	C31H50O13	630.325141	NA	MeJP	NA	NA
+PJ010435	PCQKR 	C25H46N10O7S	630.3272	NA	PeJP	NA	NA
+PJ010436	VVEER 	C26H46N8O10	630.3337	NA	PeJP	NA	NA
+MJ087263	Longithorone A 	C42H46O5	630.334524	NA	MeJP	NA	NA
+MJ087264	Longithorone H 	C42H46O5	630.334524	NA	MeJP	NA	NA
+PJ010437	NRRW 	C27H42N12O6	630.335	NA	PeJP	NA	NA
+PJ010438	GGRRW 	C27H42N12O6	630.3351	NA	PeJP	NA	NA
+PJ010439	ALLEW 	C31H46N6O8	630.3377	NA	PeJP	NA	NA
+MJ087265	Cimigenol; 1?-Hydroxy, 3-O-?-L-arabinopyranoside 	C35H50O10	630.340397	NA	MeJP	NA	NA
+PJ010440	GPTLLM 	C28H50N6O8S	630.3411	NA	PeJP	NA	NA
+PJ010441	AQKER 	C25H46N10O9	630.3449	NA	PeJP	NA	NA
+MJ087266	Lavendothricin; Lavendothricin E 	C25H46N10O9	630.344923	NA	MeJP	NA	NA
+MJ087267	Streptothricin; Streptothricin E 	C25H46N10O9	630.344923	NA	MeJP	NA	NA
+PJ010442	GAAKER 	C25H46N10O9	630.345	NA	PeJP	NA	NA
+C07465	Remikiren	C33H50N4O6S	630.3451	NA	KEGG	NA	NA
+MJ087268	Remikiren 	C33H50N4O6S	630.345106	NA	MeJP	NA	NA
+PJ010443	GLQKW 	C30H46N8O7	630.349	NA	PeJP	NA	NA
+PJ010444	PQKKM 	C27H50N8O7S	630.3523	NA	PeJP	NA	NA
+PJ010445	GAPKKM 	C27H50N8O7S	630.3524	NA	PeJP	NA	NA
+MJ087269	Peridininol; 3-Ac 	C39H50O7	630.355653	NA	MeJP	NA	NA
+PJ010446	GDKRR 	C24H46N12O8	630.3562	NA	PeJP	NA	NA
+MJ087270	Accedinisine; N4-De-Me 	C40H46N4O3	630.356991	NA	MeJP	NA	NA
+MJ087271	Hazuntiphyllidine 	C40H46N4O3	630.356991	NA	MeJP	NA	NA
+MJ087272	Hazuntiphylline 	C40H46N4O3	630.356991	NA	MeJP	NA	NA
+MJ087273	Strychnobiline; 12'-Hydroxy 	C40H46N4O3	630.356991	NA	MeJP	NA	NA
+MJ087274	Strychnobiline; 16',17'-Diepimer, 12'-Hydroxy 	C40H46N4O3	630.356991	NA	MeJP	NA	NA
+PJ010447	LLKEE 	C28H50N6O10	630.3589	NA	PeJP	NA	NA
+PJ010448	AAKRW 	C29H46N10O6	630.3602	NA	PeJP	NA	NA
+MJ087275	1,6,10,14-Phytatetraene-3,13-diol, 3,13-Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087276	1,6,10,14-Phytatetraene-3,17-diol, 3,17-Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087277	8(17),13-Labdadiene-15,18-diol, 15,18-Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087278	8(17),13-Labdadiene-15,19-diol, 15,19-Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087279	8(17),13-Labdadiene-3,15-diol, Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087280	8(17),13-Labdadiene-3,15-diol, 3,15-Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087281	8(17),13-Labdadiene-6,15,18-triol, 15-O-?-L-Rhamnopyranoside, 18-O-?-D-galactopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087282	8(17),13-Labdadiene-6,15,18-triol, 15-O-?-L-Rhamnopyranoside, 18-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+MJ087283	8(17),13-Labdadiene-6,15-diol, Di-O-?-D-glucopyranoside 	C32H54O12	630.361527	NA	MeJP	NA	NA
+PJ010449	PCKKR 	C26H50N10O6S	630.3636	NA	PeJP	NA	NA
+PJ010450	GSRRR 	C23H46N14O7	630.3674	NA	PeJP	NA	NA
+PJ010451	TLLER 	C27H50N8O9	630.3701	NA	PeJP	NA	NA
+PJ010452	SLLLW 	C32H50N6O7	630.3741	NA	PeJP	NA	NA
+MJ087284	2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, 2,3,23-Tri-Ac 	C36H54O9	630.376783	NA	MeJP	NA	NA
+MJ087285	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,15,22-Tri-Ac 	C36H54O9	630.376783	NA	MeJP	NA	NA
+MJ087286	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,7,22-Tri-Ac 	C36H54O9	630.376783	NA	MeJP	NA	NA
+MJ087287	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,15,22-Tri-Ac 	C36H54O9	630.376783	NA	MeJP	NA	NA
+2729	erythromycin inhibitor	MLIRV	630.3774	NA	Inhouse_peptide	NA	peptide
+PJ010453	AALLLM 	C29H54N6O7S	630.3775	NA	PeJP	NA	NA
+MJ087288	Beauverolide Ka 	C37H50N4O5	630.37812	NA	MeJP	NA	NA
+PJ010454	AKKER 	C26H50N10O8	630.3813	NA	PeJP	NA	NA
+PJ010455	GLKKW 	C31H50N8O6	630.3854	NA	PeJP	NA	NA
+PJ010456	VLLMR 	C28H54N8O6S	630.3887	NA	PeJP	NA	NA
+MJ087289	12,12'-Bifuranoeremophila-7,11-dien-3-ol, Di-O-angeloyl 	C40H54O6	630.392039	NA	MeJP	NA	NA
+MJ087290	3,13-Dihydroxy-11-ursen-28-oic acid, 28?13 Lactone, 3-O-(4-hydroxy-3-methoxycinnamoyl) 	C40H54O6	630.392039	NA	MeJP	NA	NA
+MJ087291	Macrophyllic acid 	C40H54O6	630.392039	NA	MeJP	NA	NA
+PJ010457	ATKRR 	C25H50N12O7	630.3926	NA	PeJP	NA	NA
+MJ087292	Pleiomutine 	C41H50N4O2	630.393376	NA	MeJP	NA	NA
+PJ010458	ATTLLL 	C29H54N6O9	630.3952	NA	PeJP	NA	NA
+PJ010459	ATTIIL 	C29H54N6O9	630.3953	NA	PeJP	NA	NA
+MJ087293	Cholestane-3,6,7,8,15,16,26-heptol, 3-O-(2-O-Methyl-?-D-xylopyranoside) 	C33H58O11	630.397912	NA	MeJP	NA	NA
+PJ010460	VKKKE 	C28H54N8O8	630.4065	NA	PeJP	NA	NA
+MJ087294	12-Oleanene-3,15,16,21,22,28-hexol, 21-Angeloyl, 22-Ac 	C37H58O8	630.413168	NA	MeJP	NA	NA
+MJ087295	12-Oleanene-3,15,16,21,22,28-hexol, Mono-Ac, mono(3-methyl-2-butenyl) 	C37H58O8	630.413168	NA	MeJP	NA	NA
+MJ087296	12-Oleanene-3,16,21,22,24,28-hexol, 21-Tigloyl, 16-Ac 	C37H58O8	630.413168	NA	MeJP	NA	NA
+MJ087297	12-Oleanene-3,16,21,22,24,28-hexol, 21-Tigloyl, 22-Ac 	C37H58O8	630.413168	NA	MeJP	NA	NA
+MJ087298	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 13-Dodecanoyl, 12-(2S-methylbutanoyl) 	C37H58O8	630.413168	NA	MeJP	NA	NA
+PJ010461	SLKKR 	C27H54N10O7	630.4177	NA	PeJP	NA	NA
+MJ087299	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-Ac 	C41H58O5	630.428424	NA	MeJP	NA	NA
+MJ087300	3-Hydroxy-12-oleanen-28-oic acid, 3-(4-Methoxycinnamoyl)(Z-), Me ester 	C41H58O5	630.428424	NA	MeJP	NA	NA
+MJ087301	3-Hydroxy-12-ursen-28-oic acid, 3-O-(4-Methoxycinnamoyl)(Z)-, Me ester 	C41H58O5	630.428424	NA	MeJP	NA	NA
+MJ087302	Dexamethasone; 21-Hexadecanoyl 	C38H59FO6	630.429567	NA	MeJP	NA	NA
+MJ087303	Argiopinin IV 	C31H54N10O4	630.43295	NA	MeJP	NA	NA
+MJ087304	Caldariellaquinone 	C39H66O2S2	630.450422	NA	MeJP	NA	NA
+MJ087305	Octadecanoic acid salts; Zn salt 	C36H70O4Zn	630.456557	NA	MeJP	NA	NA
+MJ087306	6,14,22,30,32,34-Hexahydroxy-8,16,24-pentatriacontanetrione 	C35H66O9	630.470683	NA	MeJP	NA	NA
+MJ087307	Donhepocin 	C35H66O9	630.470683	NA	MeJP	NA	NA
+MJ087308	3,22,23-Trihydroxyergostan-6-one, 3-O-Dodecanoyl 	C40H70O5	630.522325	NA	MeJP	NA	NA
+HMDB07089	DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C40H70O5	630.522339	NA	HMDB2010	NA	NA
+HMDB07677	DG(22:4(7Z,10Z,13Z,16Z)/15:0/0:0)	C40H70O5	630.522339	NA	HMDB2010	NA	NA
+MJ087309	Ormosinine 	C40H66N6	630.534896	NA	MeJP	NA	NA
+MJ087310	Polyprenol; Betulaprenol 9 	C45H74O	630.573966	NA	MeJP	NA	NA
+MJ087311	Guanosine; 3'-O-(4-Acetyl-?-L-fucopyranoside), 2',5'-di-O-sulfate 	C18H25N5O16S2	631.073771	NA	MeJP	NA	NA
+PJ010462	SCCCCN 	C19H33N7O9S4	631.1223	NA	PeJP	NA	NA
+PJ010463	CCDEY 	C24H33N5O11S2	631.1618	NA	PeJP	NA	NA
+PJ010464	CCEMF 	C25H37N5O8S3	631.1804	NA	PeJP	NA	NA
+PJ010465	DDDMH 	C23H33N7O12S	631.1908	NA	PeJP	NA	NA
+PJ010466	SCEMY 	C25H37N5O10S2	631.1982	NA	PeJP	NA	NA
+PJ010467	GSCNDH 	C22H33N9O11S	631.2021	NA	PeJP	NA	NA
+PJ010468	GPNDDD 	C23H33N7O14	631.2086	NA	PeJP	NA	NA
+PJ010469	GDDYY 	C28H33N5O12	631.2126	NA	PeJP	NA	NA
+PJ010470	PCCFY 	C29H37N5O7S2	631.2135	NA	PeJP	NA	NA
+MJ087312	Carminomycin I; Benzoylhydrazone 	C33H33N3O10	631.216594	NA	MeJP	NA	NA
+PJ010471	GMMMY 	C26H41N5O7S3	631.2168	NA	PeJP	NA	NA
+PJ010472	CNQMH 	C23H37N9O8S2	631.2207	NA	PeJP	NA	NA
+PJ010473	SEEMH 	C24H37N7O11S	631.2272	NA	PeJP	NA	NA
+PJ010474	SPCYY 	C29H37N5O9S	631.2312	NA	PeJP	NA	NA
+PJ010475	CCNHR 	C22H37N11O7S2	631.2319	NA	PeJP	NA	NA
+PJ010476	PEEEE 	C25H37N5O14	631.2337	NA	PeJP	NA	NA
+PJ010477	STMMY 	C26H41N5O9S2	631.2346	NA	PeJP	NA	NA
+PJ010478	GSSNMH 	C23H37N9O10S	631.2384	NA	PeJP	NA	NA
+PJ010479	GGGGGPCQ 	C23H37N9O10S	631.2385	NA	PeJP	NA	NA
+PJ010480	PCEHF 	C28H37N7O8S	631.2425	NA	PeJP	NA	NA
+MJ087313	Efonidipine 	C34H38N3O7P	631.244737	NA	MeJP	NA	NA
+PJ010481	GSPNEE 	C24H37N7O13	631.245	NA	PeJP	NA	NA
+PJ010482	VDMMH 	C25H41N7O8S2	631.2458	NA	PeJP	NA	NA
+PJ010483	SDHHH 	C25H33N11O9	631.2463	NA	PeJP	NA	NA
+PJ010484	GTEYY 	C29H37N5O11	631.249	NA	PeJP	NA	NA
+PJ010485	CCLFF 	C30H41N5O6S2	631.2498	NA	PeJP	NA	NA
+PJ010486	GMMFF 	C30H41N5O6S2	631.2499	NA	PeJP	NA	NA
+MJ087314	Spermidine; N,N',N''-Tris(3,4-dihydroxycinnamoyl) 	C34H37N3O9	631.252979	NA	MeJP	NA	NA
+C18070	N1,N5,N10-Tricaffeoyl spermidine	C34H37N3O9	631.253	NA	KEGG	NA	NA
+PJ010487	SSSSQH 	C23H37N9O12	631.2562	NA	PeJP	NA	NA
+PJ010488	GPPCCR 	C24H41N9O7S2	631.2571	NA	PeJP	NA	NA
+PJ010489	SPNEW 	C28H37N7O10	631.2602	NA	PeJP	NA	NA
+MJ087315	4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O6,O16,O18-Tri-Me, 14-benzoyl, 8-Ac, N-formyl 	C32H41NO12	631.262875	NA	MeJP	NA	NA
+PJ010490	PQQEM 	C25H41N7O10S	631.2636	NA	PeJP	NA	NA
+PJ010491	TYYW 	C33H37N5O8	631.2642	NA	PeJP	NA	NA
+PJ010492	AMHHH 	C26H37N11O6S	631.2649	NA	PeJP	NA	NA
+PJ010493	NNNDR 	C22H37N11O11	631.2674	NA	PeJP	NA	NA
+PJ010494	GGGGGGDR 	C22H37N11O11	631.2675	NA	PeJP	NA	NA
+PJ010495	GVMYY 	C30H41N5O8S	631.2676	NA	PeJP	NA	NA
+PJ010496	GNQQW 	C27H37N9O9	631.2714	NA	PeJP	NA	NA
+PJ010497	GGGQQW 	C27H37N9O9	631.2715	NA	PeJP	NA	NA
+PJ010498	PNDMR 	C24H41N9O9S	631.2748	NA	PeJP	NA	NA
+PJ010499	GSPWW 	C32H37N7O7	631.2755	NA	PeJP	NA	NA
+PJ010500	APQMW 	C29H41N7O7S	631.2788	NA	PeJP	NA	NA
+PJ010501	GAAPMW 	C29H41N7O7S	631.2789	NA	PeJP	NA	NA
+PJ010502	VQQEE 	C25H41N7O12	631.2813	NA	PeJP	NA	NA
+PJ010503	GGLQEE 	C25H41N7O12	631.2814	NA	PeJP	NA	NA
+PJ010504	TLMMH 	C26H45N7O7S2	631.2822	NA	PeJP	NA	NA
+PJ010505	TTHHH 	C26H37N11O8	631.2827	NA	PeJP	NA	NA
+2797	peptide toxic from alpha-gliadin	YPQPQ	631.283	NA	Inhouse_peptide	NA	peptide
+PJ010506	SSLYY 	C30H41N5O10	631.2854	NA	PeJP	NA	NA
+PJ010507	APCRW 	C28H41N9O6S	631.2901	NA	PeJP	NA	NA
+MJ087316	Hybrimycin A1; 1-Deamino, 1-hydroxy 	C23H45N5O15	631.291215	NA	MeJP	NA	NA
+MJ087317	Hybrimycin A1; 5''-Epimer, 6'''-deamino, 6'''-hydroxy 	C23H45N5O15	631.291215	NA	MeJP	NA	NA
+MJ087318	Hybrimycin A1; 6'''-Deamino, 6'''-hydroxy 	C23H45N5O15	631.291215	NA	MeJP	NA	NA
+PJ010508	AQEER 	C24H41N9O11	631.2926	NA	PeJP	NA	NA
+PJ010509	GLQEW 	C29H41N7O9	631.2966	NA	PeJP	NA	NA
+MJ087319	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18,N-Penta-Me, 14-benzoyl, 8-Ac 	C33H45NO11	631.299261	NA	MeJP	NA	NA
+C08698	Mesaconitine	C33H45NO11	631.2993	NA	KEGG	NA	NA
+PJ010510	PQKEM 	C26H45N7O9S	631.3	NA	PeJP	NA	NA
+PJ010511	GVFFY 	C34H41N5O7	631.3006	NA	PeJP	NA	NA
+3399	NA	AMKPW	631.3024	ACE inhibitor	Inhouse_peptide	NA	peptide
+7660	ACE inhibitor from as2-CN (189-192)	AMKPW	631.3024	antioxidative	Inhouse_peptide	NA	peptide
+PJ010512	GDERR 	C23H41N11O10	631.3038	NA	PeJP	NA	NA
+PJ010513	LLEEE 	C27H45N5O12	631.3065	NA	PeJP	NA	NA
+PJ010514	AAERW 	C28H41N9O8	631.3078	NA	PeJP	NA	NA
+PJ010515	PTQMR 	C25H45N9O8S	631.3112	NA	PeJP	NA	NA
+PJ010516	LQWW 	C33H41N7O6	631.3119	NA	PeJP	NA	NA
+PJ010517	APKMW 	C30H45N7O6S	631.3152	NA	PeJP	NA	NA
+8165	peptide derived from bovine k-casein (112-116)	KNQDK	631.3158	antibacterial	Inhouse_peptide	NA	peptide
+PJ010518	VQKEE 	C26H45N7O11	631.3177	NA	PeJP	NA	NA
+PJ010519	DRRW 	C27H41N11O7	631.3191	NA	PeJP	NA	NA
+PJ010520	PTCRR 	C24H45N11O7S	631.3224	NA	PeJP	NA	NA
+7676	ACE inhibitor from b-CN (48-59), rat	HSGIQSEPKAIP	631.323	MH2+	Inhouse_peptide	NA	peptide
+PJ010521	AKEER 	C25H45N9O10	631.329	NA	PeJP	NA	NA
+PJ010522	GLKEW 	C30H45N7O8	631.333	NA	PeJP	NA	NA
+MJ087320	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8,N-Di-Et, O1,O6,O16,O18-tetra-Me, 14-benzoyl 	C34H49NO10	631.335646	NA	MeJP	NA	NA
+MJ087321	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(3,4-dimethoxybenzoyl) 	C34H49NO10	631.335646	NA	MeJP	NA	NA
+MJ087322	Yunaconitine; O-De-Ac, O8-Me 	C34H49NO10	631.335646	NA	MeJP	NA	NA
+PJ010523	LLQQM 	C27H49N7O8S	631.3363	NA	PeJP	NA	NA
+PJ010524	PKKEM 	C27H49N7O8S	631.3364	NA	PeJP	NA	NA
+PJ010525	ATERR 	C24H45N11O9	631.3402	NA	PeJP	NA	NA
+PJ010526	GTLRW 	C29H45N9O7	631.3442	NA	PeJP	NA	NA
+PJ010527	PTKMR 	C26H49N9O7S	631.3476	NA	PeJP	NA	NA
+PJ010528	LKWW 	C34H45N7O5	631.3482	NA	PeJP	NA	NA
+PJ010529	VKKEE 	C27H49N7O10	631.3541	NA	PeJP	NA	NA
+PJ010530	GPFRR 	C28H45N11O6	631.3555	NA	PeJP	NA	NA
+PJ010531	GLMRR 	C25H49N11O6S	631.3588	NA	PeJP	NA	NA
+PJ010532	SLKER 	C26H49N9O9	631.3653	NA	PeJP	NA	NA
+PJ010533	VTKER 	C26H49N9O9	631.3654	NA	PeJP	NA	NA
+PJ010534	SVLKW 	C31H49N7O7	631.3694	NA	PeJP	NA	NA
+MJ087323	Cremimycin 	C35H53NO9	631.372032	NA	MeJP	NA	NA
+MJ087324	Veralodisine; 3-O-?-D-Glucopyranoside 	C35H53NO9	631.372032	NA	MeJP	NA	NA
+PJ010535	LLQKM 	C28H53N7O7S	631.3727	NA	PeJP	NA	NA
+PJ010536	GALLKM 	C28H53N7O7S	631.3728	NA	PeJP	NA	NA
+MJ087325	Amphibine C 	C36H49N5O5	631.373369	NA	MeJP	NA	NA
+MJ087326	Amphibine D 	C36H49N5O5	631.373369	NA	MeJP	NA	NA
+MJ087327	Lotusine B 	C36H49N5O5	631.373369	NA	MeJP	NA	NA
+PJ010537	STLRR 	C25H49N11O8	631.3766	NA	PeJP	NA	NA
+PJ010538	LLLHH 	C30H49N9O6	631.3806	NA	PeJP	NA	NA
+PJ010539	VVKMR 	C27H53N9O6S	631.384	NA	PeJP	NA	NA
+EUR788	Lyso PC 22:4 [M-H+acetate]-	C30H54NO7P	631.384892	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR788	Lyso PC 22:4 [M-H+acetate]-	C30H54NO7P	631.384892	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR788	Lyso PC 22:4 [M-H+acetate]-	C30H54NO7P	631.384892	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR788	Lyso PC 22:4 [M-H+acetate]-	C30H54NO7P	631.384892	masses lipides attendues	Inhousejuil11	NA	NA
+PJ010540	GTTLLK 	C28H53N7O9	631.3905	NA	PeJP	NA	NA
+PJ010541	TQKKK 	C27H53N9O8	631.4017	NA	PeJP	NA	NA
+PJ010542	PLKKF 	C32H53N7O6	631.4058	NA	PeJP	NA	NA
+PJ010543	LLKKM 	C29H57N7O6S	631.4091	NA	PeJP	NA	NA
+HMDB08855	PE(14:1(9Z)/14:1(9Z))	C33H62NO8P	631.421326	NA	HMDB2010	NA	NA
+PJ010544	TKKKK 	C28H57N9O7	631.4381	NA	PeJP	NA	NA
+MJ087328	2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-sulfate 	C34H65NO7S	631.448174	NA	MeJP	NA	NA
+MJ087329	Acarogobien B 	C29H30Br2O6	632.040913	NA	MeJP	NA	NA
+MJ087330	Ageliferin; 1'-N-Me 	C23H26Br2N10O2	632.060695	NA	MeJP	NA	NA
+MJ087331	Ageliferin; 2'-Bromo, 3'-debromo, 1'-N-Me 	C23H26Br2N10O2	632.060695	NA	MeJP	NA	NA
+MJ087332	Castalin 	C27H20O18	632.064963	NA	MeJP	NA	NA
+MJ087333	Terflavin D 	C27H20O18	632.064963	NA	MeJP	NA	NA
+FL5FAGGA0006	Myricetin 3-(2''-galloylgalactoside)	C28H24O17	632.10134	143222-13-3	knapsack	NA	NA
+FL5FAGGA0007	Myricetin 3-(6''-galloylgalactoside)	C28H24O17	632.10134	56317-08-9	knapsack	NA	NA
+FL5FAGGL0010	Myricetin 3-(6''-galloylglucoside)	C28H24O17	632.10134	56317-07-8	knapsack	NA	NA
+FL5FAGGS0029	Myricetin 3-(2''-galloylglucoside);5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C28H24O17	632.10134	334475-75-1	knapsack	NA	NA
+FL5FAGGS0032	Myricetin 7-(6''-galloylglucoside);3,5-Dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C28H24O17	632.10134	231289-26-2	knapsack	NA	NA
+MJ087334	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-galactopyranoside] 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087335	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087336	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-galactopyranoside] 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087337	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087338	3,3',4',5,5',7-Hexahydroxyflavone; 7-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside] 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087339	8-C-Ascorbylepigallocatechin 3-O-gallate 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087340	Bergenin; 3,4-Bis-O-(3,4,5-trihydroxybenzoyl) 	C28H24O17	632.101349	NA	MeJP	NA	NA
+MJ087341	Bergenin; 4,11-Bis-O-(3,4,5-trihydroxybenzoyl) 	C28H24O17	632.101349	NA	MeJP	NA	NA
+PJ010545	SCCCCD 	C19H32N6O10S4	632.1063	NA	PeJP	NA	NA
+PJ010546	ACCCCM 	C20H36N6O7S5	632.1249	NA	PeJP	NA	NA
+MJ087342	Antibiotic L 658310 	C26H28N6O9S2	632.135917	NA	MeJP	NA	NA
+PJ010547	SSCCCM 	C20H36N6O9S4	632.1427	NA	PeJP	NA	NA
+MJ087343	Pyranoamentoflavone; 4''',7-Di-Me ether 	C37H28O10	632.168247	NA	MeJP	NA	NA
+MJ087344	Pyranoamentoflavone; 4',7-Di-Me ether 	C37H28O10	632.168247	NA	MeJP	NA	NA
+MJ087345	3-Hydroxy-2H-1-benzopyran-2-one; O-[5-O-(4-Hydroxy-3-methoxycinnamoyl)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C30H32O15	632.17412	NA	MeJP	NA	NA
+MJ087346	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?3)]-?-D-glucopyranoside] 	C30H32O15	632.17412	NA	MeJP	NA	NA
+MJ087347	6,7-Dihydroxy-2H-1-benzopyran-2-one; 7-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H32O15	632.17412	NA	MeJP	NA	NA
+MJ087348	Elloramycin B 	C30H32O15	632.17412	NA	MeJP	NA	NA
+MJ087349	Paeoniflorin; 6'-O-(3,4,5-Trihydroxybenzoyl) 	C30H32O15	632.17412	NA	MeJP	NA	NA
+MJ087350	Pyranocyanin B; 6''-O-?-L-Rhamnopyranosyl 	C30H33O15(+)	632.17412	NA	MeJP	NA	NA
+PJ010548	CCNMY 	C24H36N6O8S3	632.1757	NA	PeJP	NA	NA
+PJ010549	GSCDDH 	C22H32N8O12S	632.1861	NA	PeJP	NA	NA
+MJ087351	Antibiotic PI 061; 14a-S-De-Me 	C30H36N2O9S2	632.186222	NA	MeJP	NA	NA
+PJ010550	APCCCH 	C23H36N8O7S3	632.1869	NA	PeJP	NA	NA
+MJ087352	6-Chloro-3,4-epoxy-2,8,9,11,12,14,16-heptahydroxy-5-briaren-18,7-olide; 2,9,12,14-Tetra-Ac 	C28H37ClO14	632.187183	NA	MeJP	NA	NA
+MJ087353	8-[1-Hydroxy-2-[[5-hydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-methyl-3-butenyl]-7-methoxy-2H-1-benzopyran-2-one 	C34H32O12	632.189376	NA	MeJP	NA	NA
+MJ087354	Hemsleyanoside F 	C34H32O12	632.189376	NA	MeJP	NA	NA
+PJ010551	GPDDDD 	C23H32N6O15	632.1926	NA	PeJP	NA	NA
+PJ010552	GSTCCY 	C24H36N6O10S2	632.1935	NA	PeJP	NA	NA
+MJ087355	N'-[[2-[2-[(4-Chlorophenyl)thio]ethoxy]-3-methoxy-5-[tetrahydro-5-(3,4,5-trimethoxyphenyl)-2-furanyl]phenyl]methyl]-N-hydroxy-N-methylurea 	C31H37ClN2O8S	632.195914	NA	MeJP	NA	NA
+PJ010553	CNEMH 	C23H36N8O9S2	632.2047	NA	PeJP	NA	NA
+PJ010554	CCNFF 	C28H36N6O7S2	632.2087	NA	PeJP	NA	NA
+FL5FAAGI0004	Ikarisoside F	C31H36O14	632.2105	113558-14-8	knapsack	NA	NA
+MJ087356	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C31H36O14	632.210505	NA	MeJP	NA	NA
+MJ087357	Haperforin B3; 12-Ac 	C31H36O14	632.210505	NA	MeJP	NA	NA
+MJ087358	Harrisonin; 11?,12?-Diacetoxy 	C31H36O14	632.210505	NA	MeJP	NA	NA
+MJ087359	Hypoxylon oceanicum Macrolide antibiotic; Deoxy 	C31H36O14	632.210505	NA	MeJP	NA	NA
+PJ010555	SSSSCY 	C24H36N6O12S	632.2112	NA	PeJP	NA	NA
+PJ010556	CCDHR 	C22H36N10O8S2	632.2159	NA	PeJP	NA	NA
+PJ010557	GCMHW 	C27H36N8O6S2	632.22	NA	PeJP	NA	NA
+PJ010558	GSSDMH 	C23H36N8O11S	632.2225	NA	PeJP	NA	NA
+MJ087360	Rutaevin; O-(4-Hydroxycinnamoyl) (Z-) 	C35H36O11	632.225761	NA	MeJP	NA	NA
+MJ087361	Rutaevin; O-(4-Hydroxycinnamoyl)(E-) 	C35H36O11	632.225761	NA	MeJP	NA	NA
+PJ010559	GCQYY 	C28H36N6O9S	632.2265	NA	PeJP	NA	NA
+HMDB06607	3-Sialyllactosamine	C23H40N2O18	632.2276	http://www.hmdb.ca/metabolites/HMDB06607	HMDB	NA	NA
+HMDB06607	3-Sialyllactosamine	C23H40N2O18	632.2276	HMDB06607	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06607	3'-Sialyllactosamine	C23H40N2O18	632.2276	NA	HMDB2010	NA	NA
+PJ010560	GSPDEE 	C24H36N6O14	632.229	NA	PeJP	NA	NA
+PJ010561	APPCDM 	C25H40N6O9S2	632.2298	NA	PeJP	NA	NA
+PJ010562	GPPCEM 	C25H40N6O9S2	632.2299	NA	PeJP	NA	NA
+PJ010563	STCHW 	C27H36N8O8S	632.2377	NA	PeJP	NA	NA
+PJ010564	SSSSEH 	C23H36N8O13	632.2402	NA	PeJP	NA	NA
+MJ087362	Mulberrofuran E 	C39H36O8	632.241018	NA	MeJP	NA	NA
+PJ010565	SQMMH 	C24H40N8O8S2	632.2411	NA	PeJP	NA	NA
+PJ010566	SPDEW 	C28H36N6O11	632.2442	NA	PeJP	NA	NA
+PJ010567	PPCMW 	C29H40N6O6S2	632.2451	NA	PeJP	NA	NA
+MJ087363	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8,14-penta-Ac 	C32H40O13	632.246891	NA	MeJP	NA	NA
+MJ087364	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Benzoyl, 1,2,6,9,14-penta-Ac 	C32H40O13	632.246891	NA	MeJP	NA	NA
+MJ087365	Flindercarpin 2 	C32H40O13	632.246891	NA	MeJP	NA	NA
+MJ087366	Woorenol 	C32H40O13	632.246891	NA	MeJP	NA	NA
+PJ010568	PQEEM 	C25H40N6O11S	632.2476	NA	PeJP	NA	NA
+C18154	3-Hydroxyethylchlorophyllide a	C35H36MgN4O6	632.2485	NA	KEGG	NA	NA
+C18155	Bacteriochlorophyllide a	C35H36MgN4O6	632.2485	NA	KEGG	NA	NA
+PJ010569	NNDDR 	C22H36N10O12	632.2514	NA	PeJP	NA	NA
+PJ010570	GGNDDR 	C22H36N10O12	632.2515	NA	PeJP	NA	NA
+PJ010571	SCMHR 	C23H40N10O7S2	632.2523	NA	PeJP	NA	NA
+PJ010572	GNQEW 	C27H36N8O10	632.2555	NA	PeJP	NA	NA
+PJ010573	PDDMR 	C24H40N8O10S	632.2588	NA	PeJP	NA	NA
+PJ010574	GGGGGPTM 	C24H40N8O10S	632.2589	NA	PeJP	NA	NA
+MJ087367	4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide, 11,12-Dihydro, 6,7-dibenzoyl, 19-Ac 	C36H40O10	632.262147	NA	MeJP	NA	NA
+MJ087368	4,18-Epoxy-6,8,11,19-tetrahydroxy-13-cleroden-15,16-olide, 6,19-Dibenzoyl, 11-Ac 	C36H40O10	632.262147	NA	MeJP	NA	NA
+MJ087369	Picrajavanin A 	C36H40O10	632.262147	NA	MeJP	NA	NA
+PJ010575	APEMW 	C29H40N6O8S	632.2629	NA	PeJP	NA	NA
+PJ010576	VQEEE 	C25H40N6O13	632.2654	NA	PeJP	NA	NA
+PJ010577	GPPTMM 	C26H44N6O8S2	632.2662	NA	PeJP	NA	NA
+PJ010578	PNEHH 	C26H36N10O9	632.2667	NA	PeJP	NA	NA
+MJ087370	15,16-Epoxy-12,13,14,15,16-pentahydroxy-3-cleroden-17,6-olid-18-oic acid, 15,16-Di-Me ether, 12-O-?-D-glucopyranoside, Me ester 	C29H44O15	632.26802	NA	MeJP	NA	NA
+MJ087371	15,16-Epoxy-6,13,14,15,16-pentahydroxy-3-cleroden-17,12-olid-18-oic acid, 15,16-Di-Me ether, 6-O-?-D-glucopyranoside, Me ester 	C29H44O15	632.26802	NA	MeJP	NA	NA
+PJ010579	GSPCNR 	C23H40N10O9S	632.2701	NA	PeJP	NA	NA
+PJ010580	NQWW 	C31H36N8O7	632.2707	NA	PeJP	NA	NA
+PJ010581	AQMHF 	C28H40N8O7S	632.2741	NA	PeJP	NA	NA
+PJ010582	AEEER 	C24H40N8O12	632.2766	NA	PeJP	NA	NA
+PJ010583	SKMMH 	C25H44N8O7S2	632.2775	NA	PeJP	NA	NA
+PJ010584	GLEEW 	C29H40N6O10	632.2806	NA	PeJP	NA	NA
+7050	Alloferon 1 (Streptococcus pyogenes)	HGVSGHGQHGVHG	632.2815	MH2+	Inhouse_peptide	NA	peptide
+PJ010585	GPHHW 	C30H36N10O6	632.282	NA	PeJP	NA	NA
+MJ087372	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1-(2-methylbutanoyl), 2,6,14-tri-Ac 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087373	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 14-(2-methylbutanoyl), 1,2,6-tri-Ac 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087374	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-(2-methylbutanoyl), 1,6,14-tri-Ac 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087375	11,12-Dihydroxyhavanensin-28-oic acid, 1,7,12-Tri-Ac, Me ester 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087376	Meliacarpinin; 11-Methoxy, 1-deoxy, 3-O-tigloyl 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087377	Trichilin B; 12-Epimer, 2-O-de-Ac 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087378	Trichilin B; 2-O-De-Ac 	C33H44O12	632.283276	NA	MeJP	NA	NA
+MJ087379	Xyloccensin I; 30-O-Deacyl, 30-O-(2-methylpropanoyl) 	C33H44O12	632.283276	NA	MeJP	NA	NA
+PJ010586	PKEEM 	C26H44N6O10S	632.284	NA	PeJP	NA	NA
+PJ010587	ACHFR 	C27H40N10O6S	632.2853	NA	PeJP	NA	NA
+PJ010588	SNQER 	C23H40N10O11	632.2878	NA	PeJP	NA	NA
+PJ010589	GGGGGGGSK 	C23H40N10O11	632.2879	NA	PeJP	NA	NA
+C09608	Phaeantharine	C39H40N2O6	632.2886	NA	KEGG	NA	NA
+PJ010590	ANDKW 	C28H40N8O9	632.2918	NA	PeJP	NA	NA
+PJ010591	GNKEW 	C28H40N8O9	632.2919	NA	PeJP	NA	NA
+PJ010592	PTEMR 	C25H44N8O9S	632.2952	NA	PeJP	NA	NA
+MJ087380	Casokefamide 	C33H40N6O7	632.295847	NA	MeJP	NA	NA
+PJ010593	LEWW 	C33H40N6O7	632.2959	NA	PeJP	NA	NA
+PJ010594	SPLMW 	C30H44N6O7S	632.2992	NA	PeJP	NA	NA
+PJ010595	GPPCLF 	C30H44N6O7S	632.2993	NA	PeJP	NA	NA
+3270	NA	KDQDK	632.2998	celiac toxic	Inhouse_peptide	NA	peptide
+3654	NA	DETRL	632.3009	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ010596	VKEEE 	C26H44N6O12	632.3017	NA	PeJP	NA	NA
+PJ010597	LDKEE 	C26H44N6O12	632.3018	NA	PeJP	NA	NA
+PJ010598	AAPLMM 	C27H48N6O7S2	632.3026	NA	PeJP	NA	NA
+PJ010599	GSQRW 	C27H40N10O8	632.3031	NA	PeJP	NA	NA
+MJ087381	Locicortolone dicibate 	C36H50Cl2O5	632.30353	NA	MeJP	NA	NA
+PJ010600	AQQMR 	C24H44N10O8S	632.3064	NA	PeJP	NA	NA
+PJ010601	GAAQMR 	C24H44N10O8S	632.3065	NA	PeJP	NA	NA
+PJ010602	NKWW 	C32H40N8O6	632.3071	NA	PeJP	NA	NA
+PJ010603	AKMHF 	C29H44N8O6S	632.3105	NA	PeJP	NA	NA
+PJ010604	SLEER 	C25H44N8O11	632.313	NA	PeJP	NA	NA
+PJ010605	PVMMR 	C26H48N8O6S2	632.3139	NA	PeJP	NA	NA
+PJ010606	SPHHR 	C26H40N12O7	632.3143	NA	PeJP	NA	NA
+PJ010607	SVLEW 	C30H44N6O9	632.317	NA	PeJP	NA	NA
+PJ010608	GNMRR 	C23H44N12O7S	632.3177	NA	PeJP	NA	NA
+MJ087382	14,20-Epoxy-3,17-dihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H48O11	632.319662	NA	MeJP	NA	NA
+MJ087383	3,20,27-Trihydroxy-1-oxowitha-5,14,24-trienolide, 3-O-?-D-Glucopyranoside 	C34H48O11	632.319662	NA	MeJP	NA	NA
+MJ087384	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1-Tigloyl, 12-(2S-methylbutanoyl), di-Ac 	C34H48O11	632.319662	NA	MeJP	NA	NA
+MJ087385	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 12-Tigloyl, 1-(2S-methylbutanoyl), di-Ac 	C34H48O11	632.319662	NA	MeJP	NA	NA
+MJ087386	Euphorrepinol; 7,15-Ditigloyl, 3,5-di-Ac 	C34H48O11	632.319662	NA	MeJP	NA	NA
+MJ087387	Moritoside 	C34H48O11	632.319662	NA	MeJP	NA	NA
+MJ087388	Withaferin A; 27-O-?-D-Glucopyranoside 	C34H48O11	632.319662	NA	MeJP	NA	NA
+PJ010609	LLQEM 	C27H48N6O9S	632.3204	NA	PeJP	NA	NA
+PJ010610	SNKER 	C24H44N10O10	632.3242	NA	PeJP	NA	NA
+PJ010611	GDKKW 	C29H44N8O8	632.3282	NA	PeJP	NA	NA
+PJ010612	GGGAPKF 	C29H44N8O8	632.3283	NA	PeJP	NA	NA
+PJ010613	VVEMR 	C26H48N8O8S	632.3316	NA	PeJP	NA	NA
+PJ010614	APLFW 	C34H44N6O6	632.3323	NA	PeJP	NA	NA
+CJneg0652	L-urobilinogen [(M+Cl)]-	C33H48ClN4O6	632.334625	C18rt(min)=9.4 Neg putatively identified a,b	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0652	L-urobilinogen [(M+Cl)]-	C33H48ClN4O6	632.334625	C18rt(min)=9.4 Neg putatively identified a,b	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ010615	SSQRR 	C23H44N12O9	632.3354	NA	PeJP	NA	NA
+PJ010616	GGSTRR 	C23H44N12O9	632.3355	NA	PeJP	NA	NA
+PJ010617	ALLMW 	C31H48N6O6S	632.3356	NA	PeJP	NA	NA
+PJ010618	GTTLLE 	C27H48N6O11	632.3381	NA	PeJP	NA	NA
+PJ010619	GSKRW 	C28H44N10O7	632.3395	NA	PeJP	NA	NA
+MJ087389	Methyl hexa(?-hydroxyisovalerate) 	C31H52O13	632.340791	NA	MeJP	NA	NA
+PJ010620	AQKMR 	C25H48N10O7S	632.3428	NA	PeJP	NA	NA
+PJ010621	GAAKMR 	C25H48N10O7S	632.3429	NA	PeJP	NA	NA
+PJ010622	TQKKE 	C26H48N8O10	632.3494	NA	PeJP	NA	NA
+MJ087390	Longithorone E 	C42H48O5	632.350174	NA	MeJP	NA	NA
+MJ087391	Longithorone H; 4',5'-Dihydro 	C42H48O5	632.350174	NA	MeJP	NA	NA
+PJ010623	ALHHR 	C27H44N12O6	632.3507	NA	PeJP	NA	NA
+PJ010624	TTLLW 	C31H48N6O8	632.3534	NA	PeJP	NA	NA
+PJ010625	ACKRR 	C24H48N12O6S	632.3541	NA	PeJP	NA	NA
+MJ087392	16,23:23,26:24,25-Triepoxycycloart-7-ene-1,3,26-triol, 3-O-?-D-Xylopyranoside 	C35H52O10	632.356047	NA	MeJP	NA	NA
+MJ087393	24,25-Epoxy-3,11,15-trihydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside 	C35H52O10	632.356047	NA	MeJP	NA	NA
+MJ087394	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C35H52O10	632.356047	NA	MeJP	NA	NA
+PJ010626	LLKEM 	C28H52N6O8S	632.3568	NA	PeJP	NA	NA
+PJ010627	SDKKR 	C25H48N10O9	632.3606	NA	PeJP	NA	NA
+PJ010628	ATKKW 	C30H48N8O7	632.3646	NA	PeJP	NA	NA
+PJ010629	TLLMR 	C27H52N8O7S	632.368	NA	PeJP	NA	NA
+MJ087395	2,3,23-Trihydroxy-12,19(29)-ursadien-28-oic acid, 23-(4-Hydroxycinnamoyl) (E)- 	C39H52O7	632.371304	NA	MeJP	NA	NA
+MJ087396	3,27-Dihydroxy-12-oleanen-28-oic acid, 3-Ketone, 27-(3,4-dihydroxycinnamoyl) 	C39H52O7	632.371304	NA	MeJP	NA	NA
+MJ087397	3,27-Dihydroxy-12-ursen-28-oic acid, 3-Ketone, 27-(3,4-dihydroxycinnamoyl) 	C39H52O7	632.371304	NA	MeJP	NA	NA
+PJ010630	SSKRR 	C24H48N12O8	632.3718	NA	PeJP	NA	NA
+C09200	Geissospermine	C40H48N4O3	632.3726	NA	KEGG	NA	NA
+MJ087398	Geissospermine 	C40H48N4O3	632.372641	NA	MeJP	NA	NA
+MJ087399	Kopsoffinol 	C40H48N4O3	632.372641	NA	MeJP	NA	NA
+MJ087400	Tabernamine; 3'-Hydroxy 	C40H48N4O3	632.372641	NA	MeJP	NA	NA
+PJ010631	SSTLLL 	C28H52N6O10	632.3745	NA	PeJP	NA	NA
+PJ010632	VLKHH 	C29H48N10O6	632.3759	NA	PeJP	NA	NA
+MJ087401	8(17)-Labdene-15,19-diol, 15,19-Di-O-?-D-glucopyranoside 	C32H56O12	632.377177	NA	MeJP	NA	NA
+MJ087402	8(17)-Labdene-6,15-diol, Di-O-?-D-glucopyranoside 	C32H56O12	632.377177	NA	MeJP	NA	NA
+PJ010633	AKKMR 	C26H52N10O6S	632.3792	NA	PeJP	NA	NA
+PJ010634	TKKKE 	C27H52N8O9	632.3857	NA	PeJP	NA	NA
+PJ010635	GSTLKK 	C27H52N8O9	632.3858	NA	PeJP	NA	NA
+PJ010636	PLLKY 	C32H52N6O7	632.3898	NA	PeJP	NA	NA
+C08964	Oleanoic acid 3-O-glucuronide	C36H56O9	632.3924	NA	KEGG	NA	NA
+MJ087403	11,12-Epoxy-3,13-dihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-?-D-glucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087404	16,23-Epoxy-3,20-dihydroxycucurbita-5,24-dien-11-one, 3-O-?-D-Glucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087405	2,3-Dihydroxy-12,19(29)-ursadien-28-oic acid, ?-D-Glucopyranosyl ester 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087406	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-?-D-glucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087407	3,5,11,14,19-Pentahydroxybufa-20,22-dienolide, 3-(12-Hydroxydodecanoyl) 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087408	3,7-Dihydroxylanosta-8,24-dien-21-oic acid, 3-Ketone, 7-O-?-D-glucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087409	3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-(6-Deoxy-?-D-glucopyranoside) 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087410	3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-?-D-Fucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087411	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-(6-Deoxy-?-D-glucopyranoside) 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087412	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-L-Fucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087413	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-L-Rhamnopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087414	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+MJ087415	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucuronopyranoside 	C36H56O9	632.392433	NA	MeJP	NA	NA
+PJ010637	TTKKR 	C26H52N10O8	632.397	NA	PeJP	NA	NA
+PJ010638	VVLFR 	C31H52N8O6	632.401	NA	PeJP	NA	NA
+PJ010639	VKKKM 	C28H56N8O6S	632.4044	NA	PeJP	NA	NA
+MJ087416	3,21-Dihydroxy-12-oleanen-28-oic acid, 21-O-(4-Methoxy-E-cinnamoyl) 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087417	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-Benzoyl, 3-Ac, Me ester 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087418	Grandione 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087419	Persianone 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087420	Taiwaniadduct B 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087421	Taiwaniadduct C 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087422	Taiwaniadduct D 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087423	Taiwaniadduct E 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087424	Taiwaniadduct F 	C40H56O6	632.407689	NA	MeJP	NA	NA
+MJ087425	Methylenebismehranine 	C41H52N4O2	632.409026	NA	MeJP	NA	NA
+MJ087426	Pupukeamide 	C34H56N4O7	632.4149	NA	MeJP	NA	NA
+PJ010640	LLLKF 	C33H56N6O6	632.4262	NA	PeJP	NA	NA
+MJ087427	5,19-Epoxycucurbita-6,23-diene-3,25-diol, O25-Me, 3-O-?-D-allopyranoside 	C37H60O8	632.428818	NA	MeJP	NA	NA
+MJ087428	5,19-Epoxycucurbita-6,23-diene-3,25-diol, O25-Me, 3-O-?-D-glucopyranoside 	C37H60O8	632.428818	NA	MeJP	NA	NA
+MJ087429	Oleanolic acid glycosyl esters; Monoglycosides, Me ether, ?-D-glucopyranosyl ester 	C37H60O8	632.428818	NA	MeJP	NA	NA
+MJ087430	Niloticol 	C38H64O7	632.465204	NA	MeJP	NA	NA
+EUR1036	d18:1-12:0 SM [M-H-CH3]-	C35H71N2O6P	632.489326	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1036	d18:1-12:0 SM [M-H-CH3]-	C35H71N2O6P	632.489326	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1036	d18:1-12:0 SM [M-H-CH3]-	C35H71N2O6P	632.489326	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1036	d18:1-12:0 SM [M-H-CH3]-	C35H71N2O6P	632.489326	masses lipides attendues	Inhousejuil11	NA	NA
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR536	12 :0 SM F3	NA	632.491025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR536	12 :0 SM F3	NA	632.491025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR536	12 :0 SM F3	NA	632.491025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR536	12 :0 SM F3	NA	632.491025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR536	12 :0 SM F3	F3	632.491025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ087431	Mebolazine 	C42H68N2O2	632.528079	NA	MeJP	NA	NA
+PJ010641	CCDMY 	C24H35N5O9S3	633.1597	NA	PeJP	NA	NA
+MJ087432	1,2,6,7-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7-Me ether, 6-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H31NO15	633.169369	NA	MeJP	NA	NA
+PJ010642	CCMMF 	C25H39N5O6S4	633.1783	NA	PeJP	NA	NA
+MJ087433	2-[4-[(2,6-Dideoxy-2-fluoro-?-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ?-alaninate 	C30H32FNO13	633.185768	NA	MeJP	NA	NA
+PJ010643	CDEMH 	C23H35N7O10S2	633.1887	NA	PeJP	NA	NA
+PJ010644	CCDFF 	C28H35N5O8S2	633.1927	NA	PeJP	NA	NA
+PJ010645	SCMMY 	C25H39N5O8S3	633.1961	NA	PeJP	NA	NA
+PJ010646	GSCCQH 	C22H35N9O9S2	633.1999	NA	PeJP	NA	NA
+PJ010647	GPCNDE 	C23H35N7O12S	633.2065	NA	PeJP	NA	NA
+PJ010648	GCEYY 	C28H35N5O10S	633.2105	NA	PeJP	NA	NA
+HMDB00825	3'-Sialyllactose	C23H39NO19	633.211609	NA	HMDB2010	NA	NA
+HMDB06569	6'-Sialyllactose	C23H39NO19	633.211609	NA	HMDB2010	NA	NA
+HMDB00825	3-Sialyllactose	C23H39NO19	633.21161	http://www.hmdb.ca/metabolites/HMDB00825	HMDB	NA	NA
+HMDB06569	6-Sialyllactose	C23H39NO19	633.21161	http://www.hmdb.ca/metabolites/HMDB06569	HMDB	NA	NA
+HMDB00825	3-Sialyllactose	C23H39NO19	633.21161	HMDB00825	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06569	6-Sialyllactose	C23H39NO19	633.21161	HMDB06569	PFEM_hmdb_metabocards_official	NA	NA
+PJ010649	SSSCNH 	C22H35N9O11S	633.2177	NA	PeJP	NA	NA
+PJ010650	PCNDW 	C27H35N7O9S	633.2217	NA	PeJP	NA	NA
+PJ010651	NNEEE 	C23H35N7O14	633.2242	NA	PeJP	NA	NA
+PJ010652	SEMMH 	C24H39N7O9S2	633.2251	NA	PeJP	NA	NA
+PJ010653	CYYW 	C32H35N5O7S	633.2257	NA	PeJP	NA	NA
+PJ010654	SSDYY 	C28H35N5O12	633.2282	NA	PeJP	NA	NA
+PJ010655	ACMFY 	C29H39N5O7S2	633.2291	NA	PeJP	NA	NA
+PJ010656	PEEEM 	C25H39N5O12S	633.2316	NA	PeJP	NA	NA
+PJ010657	CNNHF 	C26H35N9O8S	633.233	NA	PeJP	NA	NA
+PJ010658	NDDDR 	C22H35N9O13	633.2355	NA	PeJP	NA	NA
+PJ010659	GSCCKH 	C23H39N9O8S2	633.2363	NA	PeJP	NA	NA
+PJ010660	GNEEW 	C27H35N7O11	633.2395	NA	PeJP	NA	NA
+PJ010661	PCMHF 	C28H39N7O6S2	633.2404	NA	PeJP	NA	NA
+PJ010662	GSPNEM 	C24H39N7O11S	633.2429	NA	PeJP	NA	NA
+PJ010663	CLMMH 	C25H43N7O6S3	633.2437	NA	PeJP	NA	NA
+PJ010664	TCHHH 	C25H35N11O7S	633.2442	NA	PeJP	NA	NA
+PJ010665	GTMYY 	C29H39N5O9S	633.2469	NA	PeJP	NA	NA
+PJ010666	VEEEE 	C25H39N5O14	633.2494	NA	PeJP	NA	NA
+PJ010667	SNNNW 	C26H35N9O10	633.2507	NA	PeJP	NA	NA
+PJ010668	GSPCDR 	C23H39N9O10S	633.2541	NA	PeJP	NA	NA
+PJ010669	NEWW 	C31H35N7O8	633.2547	NA	PeJP	NA	NA
+PJ010670	SPNMW 	C28H39N7O8S	633.2581	NA	PeJP	NA	NA
+PJ010671	NDKEE 	C24H39N7O13	633.2606	NA	PeJP	NA	NA
+PJ010672	PQQMM 	C25H43N7O8S2	633.2615	NA	PeJP	NA	NA
+PJ010673	ACFFF 	C33H39N5O6S	633.2621	NA	PeJP	NA	NA
+PJ010674	STTYY 	C29H39N5O11	633.2646	NA	PeJP	NA	NA
+PJ010675	CNNQR 	C22H39N11O9S	633.2653	NA	PeJP	NA	NA
+PJ010676	GWWW 	C35H35N7O5	633.27	NA	PeJP	NA	NA
+PJ010677	SNEER 	C23H39N9O12	633.2718	NA	PeJP	NA	NA
+PJ010678	GGSEER 	C23H39N9O12	633.2719	NA	PeJP	NA	NA
+PJ010679	PCQMR 	C24H43N9O7S2	633.2727	NA	PeJP	NA	NA
+PJ010680	GDKEW 	C28H39N7O10	633.2759	NA	PeJP	NA	NA
+PJ010681	GHHHF 	C29H35N11O6	633.2772	NA	PeJP	NA	NA
+C08663	Beiwutine	C32H43NO12	633.2785	NA	KEGG	NA	NA
+PJ010682	VQQEM 	C25H43N7O10S	633.2792	NA	PeJP	NA	NA
+PJ010683	GGGALEM 	C25H43N7O10S	633.2793	NA	PeJP	NA	NA
+PJ010684	AAFYY 	C33H39N5O8	633.2799	NA	PeJP	NA	NA
+PJ010685	GSSNNR 	C22H39N11O11	633.2831	NA	PeJP	NA	NA
+PJ010686	PCCRR 	C23H43N11O6S2	633.284	NA	PeJP	NA	NA
+MJ087434	Penitrem A 	C37H44ClNO6	633.285715	NA	MeJP	NA	NA
+MJ087435	Pennigritrem 	C37H44ClNO6	633.285715	NA	MeJP	NA	NA
+PJ010687	GSERW 	C27H39N9O9	633.2871	NA	PeJP	NA	NA
+PJ010688	AQEMR 	C24H43N9O9S	633.2905	NA	PeJP	NA	NA
+PJ010689	DKWW 	C32H39N7O7	633.2911	NA	PeJP	NA	NA
+MJ087436	Cardiopidine 	C36H43NO9	633.293781	NA	MeJP	NA	NA
+PJ010690	GLQMW 	C29H43N7O7S	633.2945	NA	PeJP	NA	NA
+PJ010691	TQKEE 	C25H43N7O12	633.297	NA	PeJP	NA	NA
+PJ010692	PQKMM 	C26H47N7O7S2	633.2979	NA	PeJP	NA	NA
+PJ010693	VNQHH 	C26H39N11O8	633.2983	NA	PeJP	NA	NA
+PJ010694	GGGGLHH 	C26H39N11O8	633.2984	NA	PeJP	NA	NA
+PJ010695	PLEEF 	C30H43N5O10	633.301	NA	PeJP	NA	NA
+PJ010696	GDMRR 	C23H43N11O8S	633.3017	NA	PeJP	NA	NA
+PJ010697	SRWW 	C31H39N9O6	633.3023	NA	PeJP	NA	NA
+PJ010698	PPHHF 	C31H39N9O6	633.3024	NA	PeJP	NA	NA
+PJ010699	LLEEM 	C27H47N5O10S	633.3044	NA	PeJP	NA	NA
+PJ010700	AAMRW 	C28H43N9O6S	633.3057	NA	PeJP	NA	NA
+PJ010701	SDKER 	C24H43N9O11	633.3082	NA	PeJP	NA	NA
+PJ010702	PCKMR 	C25H47N9O6S2	633.3091	NA	PeJP	NA	NA
+PJ010703	GQHHR 	C25H39N13O7	633.3096	NA	PeJP	NA	NA
+PJ010704	ATKEW 	C29H43N7O9	633.3122	NA	PeJP	NA	NA
+PJ010705	GGTTLW 	C29H43N7O9	633.3123	NA	PeJP	NA	NA
+MJ087437	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, O14-(4-methoxybenzoyl) 	C33H47NO11	633.314911	NA	MeJP	NA	NA
+MJ087438	Aconifine; 8-O-De-Ac, 8-Et ether, N-de-Et, N-Me 	C33H47NO11	633.314911	NA	MeJP	NA	NA
+PJ010706	VQKEM 	C26H47N7O9S	633.3156	NA	PeJP	NA	NA
+MJ087439	Sativanine F 	C34H43N5O7	633.316248	NA	MeJP	NA	NA
+PJ010707	SSERR 	C23H43N11O10	633.3195	NA	PeJP	NA	NA
+PJ010708	ATTRW 	C28H43N9O8	633.3235	NA	PeJP	NA	NA
+PJ010709	SLQMR 	C25H47N9O8S	633.3268	NA	PeJP	NA	NA
+PJ010710	AKEMR 	C25H47N9O8S	633.3269	NA	PeJP	NA	NA
+PJ010711	GPKFW 	C33H43N7O6	633.3275	NA	PeJP	NA	NA
+PJ010712	GLKMW 	C30H47N7O6S	633.3309	NA	PeJP	NA	NA
+PJ010713	TKKEE 	C26H47N7O11	633.3334	NA	PeJP	NA	NA
+PJ010714	PKKMM 	C27H51N7O6S2	633.3342	NA	PeJP	NA	NA
+PJ010715	PPQHR 	C27H43N11O7	633.3347	NA	PeJP	NA	NA
+PJ010716	PLLEY 	C31H47N5O9	633.3374	NA	PeJP	NA	NA
+PJ010717	ATMRR 	C24H47N11O7S	633.3381	NA	PeJP	NA	NA
+PJ010718	TTKER 	C25H47N9O10	633.3446	NA	PeJP	NA	NA
+PJ010719	GKHHR 	C26H43N13O6	633.346	NA	PeJP	NA	NA
+PJ010720	STLKW 	C30H47N7O8	633.3486	NA	PeJP	NA	NA
+PJ010721	GGGVVVF 	C30H47N7O8	633.3487	NA	PeJP	NA	NA
+PJ010722	VKKEM 	C27H51N7O8S	633.352	NA	PeJP	NA	NA
+PJ010723	TTTRR 	C24H47N11O9	633.3558	NA	PeJP	NA	NA
+PJ010724	APKRY 	C29H47N9O7	633.3599	NA	PeJP	NA	NA
+PJ010725	SLKMR 	C26H51N9O7S	633.3632	NA	PeJP	NA	NA
+PJ010726	GACKKK 	C26H51N9O7S	633.3633	NA	PeJP	NA	NA
+PJ010727	SSSLLK 	C27H51N7O10	633.3698	NA	PeJP	NA	NA
+PJ010728	GVFRR 	C28H47N11O6	633.3711	NA	PeJP	NA	NA
+PJ010729	LLLEF 	C32H51N5O8	633.3738	NA	PeJP	NA	NA
+PJ010730	GSSKKK 	C26H51N9O9	633.381	NA	PeJP	NA	NA
+PJ010731	FRRR 	C27H47N13O5	633.3823	NA	PeJP	NA	NA
+PJ010732	PVKKY 	C31H51N7O7	633.385	NA	PeJP	NA	NA
+PJ010733	ALKFR 	C30H51N9O6	633.3963	NA	PeJP	NA	NA
+PJ010734	CKKKK 	C27H55N9O6S	633.3996	NA	PeJP	NA	NA
+PJ010735	LLLLY 	C33H55N5O7	633.4102	NA	PeJP	NA	NA
+PJ010736	VLKKF 	C32H55N7O6	633.4214	NA	PeJP	NA	NA
+HMDB08822	PE(14:0/14:1(9Z))	C33H64NO8P	633.436951	NA	HMDB2010	NA	NA
+HMDB08854	PE(14:1(9Z)/14:0)	C33H64NO8P	633.436951	NA	HMDB2010	NA	NA
+MJ087440	2-Amino-17-methyl-4-octadecene-1,3-diol, N-(2R-Hydroxy-13-methyltetradecanoyl), 1-O-sulfate 	C34H67NO7S	633.463824	NA	MeJP	NA	NA
+MJ087441	2-Amino-18-methyl-4-nonadecene-1,3-diol, N-(2R-Hydroxy-11?-methyltridecanoyl), 1-O-sulfate 	C34H67NO7S	633.463824	NA	MeJP	NA	NA
+MJ087442	2-Amino-4-octadecene-1,3-diol, N-(2R-Hydroxy-14?-methylpentadecanoyl), 1-sulfate 	C34H67NO7S	633.463824	NA	MeJP	NA	NA
+MJ087443	Oxysceptrin 	C22H24Br2N10O3	634.039959	NA	MeJP	NA	NA
+C10219	Corilagin	C27H22O18	634.0806	NA	KEGG	NA	NA
+MJ087444	1,3-Hexahydroxydiphenoylglucose; ?-D-Pyranose-form, 6-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087445	1,6-Hexahydroxydiphenoylglucose, 3-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087446	2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087447	2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 4-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087448	2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087449	3,6-Hexahydroxydiphenoylglucose; (R)axial-D-pyranose-form, 2-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087450	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087451	4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 2-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087452	4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 3-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087453	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087454	Corilagin 	C27H22O18	634.080613	NA	MeJP	NA	NA
+MJ087455	Punicacortein A 	C27H22O18	634.080613	NA	MeJP	NA	NA
+C13376	Cefpiramide sodium	C25H23N8O7S2	634.1029	NA	KEGG	NA	NA
+PJ010737	TCCCCC 	C19H34N6O8S5	634.1042	NA	PeJP	NA	NA
+MJ087456	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3''-Di-O-(3,4,5-trihydroxybenzoyl) 	C28H26O17	634.116999	NA	MeJP	NA	NA
+MJ087457	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',6''-Di-O-(3,4,5-trihydroxybenzoyl) 	C28H26O17	634.116999	NA	MeJP	NA	NA
+MJ087458	Actinorhodin 	C32H26O14	634.132255	NA	MeJP	NA	NA
+MJ087459	Flavomannin, 5,5'-Dioxo, 10,10'-dihydroxy, 3,3'-di-Me ether 	C32H26O14	634.132255	NA	MeJP	NA	NA
+C06691	Actinorhodine	C32H26O14	634.1323	NA	KEGG	NA	NA
+PJ010738	GCCCCF 	C23H34N6O7S4	634.1372	NA	PeJP	NA	NA
+MJ087460	Julichrome Q2.5 	C36H26O11	634.147511	NA	MeJP	NA	NA
+PJ010739	GSCCCY 	C23H34N6O9S3	634.155	NA	PeJP	NA	NA
+PJ010740	GSCCEH 	C22H34N8O10S2	634.184	NA	PeJP	NA	NA
+MJ087461	N-[[4'-[[3-Butyl-1,5-dihydro-5-oxo-1-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-4-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]benzamide 	C33H29F3N4O4S	634.18616	NA	MeJP	NA	NA
+MJ087462	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H34O15	634.18977	NA	MeJP	NA	NA
+MJ087463	Allaneroside 	C30H34O15	634.18977	NA	MeJP	NA	NA
+MJ087464	Sucrose; 3',4-Bis-O-(4-hydroxycinnamoyl) 	C30H34O15	634.18977	NA	MeJP	NA	NA
+MJ087465	Sucrose; 3',6-Bis-O-(4-hydroxycinnamoyl) 	C30H34O15	634.18977	NA	MeJP	NA	NA
+FL3FABGS0009	Acacetin 7-(4'''-acetylrutinoside);Linarin monoacetate;7-[[6-O-(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C30H34O15	634.18977	79541-06-3	knapsack	NA	NA
+PJ010741	GPCDDE 	C23H34N6O13S	634.1905	NA	PeJP	NA	NA
+MJ087466	Agrocin 434 	C24H34N4O16	634.196981	NA	MeJP	NA	NA
+PJ010742	SCCHW 	C26H34N8O7S2	634.1992	NA	PeJP	NA	NA
+PJ010743	SSSCDH 	C22H34N8O12S	634.2017	NA	PeJP	NA	NA
+PJ010744	CNMMH 	C23H38N8O7S3	634.2026	NA	PeJP	NA	NA
+PJ010745	PCDDW 	C27H34N6O10S	634.2057	NA	PeJP	NA	NA
+PJ010746	NDEEE 	C23H34N6O15	634.2082	NA	PeJP	NA	NA
+PJ010747	GGDEEE 	C23H34N6O15	634.2083	NA	PeJP	NA	NA
+PJ010748	SPPCCE 	C24H38N6O10S2	634.2091	NA	PeJP	NA	NA
+PJ010749	GCNNNN 	C21H34N10O11S	634.2129	NA	PeJP	NA	NA
+PJ010750	GGGCNNN 	C21H34N10O11S	634.213	NA	PeJP	NA	NA
+C12609	Novobiocin sodium	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+C12610	Transferred to D01210	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+C12611	Transferred to D01211	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+C12612	Transferred to D01212	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+C12613	Transferred to D01213	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+C12614	Transferred to D01214	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+C12615	Transferred to D01215	C31H35N2O11	634.2139	NA	KEGG	NA	NA
+PJ010751	CNDHF 	C26H34N8O9S	634.217	NA	PeJP	NA	NA
+PJ010752	DDDDR 	C22H34N8O14	634.2195	NA	PeJP	NA	NA
+PJ010753	GSTCMH 	C23H38N8O9S2	634.2203	NA	PeJP	NA	NA
+PJ010754	GGGPCNM 	C23H38N8O9S2	634.2204	NA	PeJP	NA	NA
+PJ010755	GDEEW 	C27H34N6O12	634.2235	NA	PeJP	NA	NA
+MJ087467	Elegantin A; 1,2-Dihydro, 1?-acetoxy 	C31H38O14	634.226155	NA	MeJP	NA	NA
+MJ087468	Elegantin A; 21-Oxo, 23?-alcohol, 1,2-dihydro, 1?-acetoxy 	C31H38O14	634.226155	NA	MeJP	NA	NA
+PJ010756	GSPDEM 	C24H38N6O12S	634.2269	NA	PeJP	NA	NA
+PJ010757	GPPCMM 	C25H42N6O7S3	634.2277	NA	PeJP	NA	NA
+MJ087469	Lactodifucotetraose 	C24H42O19	634.232029	NA	MeJP	NA	NA
+HMDB06587	Lactodifucotetraose	C24H42O19	634.232056	NA	HMDB2010	NA	NA
+HMDB06587	Lactodifucotetraose	C24H42O19	634.23206	http://www.hmdb.ca/metabolites/HMDB06587	HMDB	NA	NA
+HMDB06587	Lactodifucotetraose	C24H42O19	634.23206	HMDB06587	PFEM_hmdb_metabocards_official	NA	NA
+PJ010758	SNNDW 	C26H34N8O11	634.2347	NA	PeJP	NA	NA
+PJ010759	SSSSMH 	C23H38N8O11S	634.2381	NA	PeJP	NA	NA
+PJ010760	DEWW 	C31H34N6O9	634.2388	NA	PeJP	NA	NA
+MJ087470	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-Ketone, 1-cinnamoyl, 9-benzoyl, 6,14-di-Ac 	C35H38O11	634.241412	NA	MeJP	NA	NA
+PJ010761	SPDMW 	C28H38N6O9S	634.2421	NA	PeJP	NA	NA
+PJ010762	TQEEE 	C24H38N6O14	634.2446	NA	PeJP	NA	NA
+PJ010763	PQEMM 	C25H42N6O9S2	634.2455	NA	PeJP	NA	NA
+PJ010764	CNNER 	C22H38N10O10S	634.2493	NA	PeJP	NA	NA
+MJ087471	Piplartine dimer A 	C34H38N2O10	634.252645	NA	MeJP	NA	NA
+PJ010765	GNQMW 	C27H38N8O8S	634.2534	NA	PeJP	NA	NA
+PJ010766	SDEER 	C23H38N8O13	634.2559	NA	PeJP	NA	NA
+PJ010767	PCEMR 	C24H42N8O8S2	634.2567	NA	PeJP	NA	NA
+PJ010768	NNNHH 	C24H34N12O9	634.2572	NA	PeJP	NA	NA
+PJ010769	ATEEW 	C28H38N6O11	634.2599	NA	PeJP	NA	NA
+PJ010770	APMMW 	C29H42N6O6S2	634.2607	NA	PeJP	NA	NA
+MJ087472	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-(2-methylpropanoyl), 1,2,14-tri-Ac 	C32H42O13	634.262541	NA	MeJP	NA	NA
+MJ087473	1,2,4,8,9,14-Hexahydroxydihydro-?-agarofuran, 14-Benzoyl, 8-(2-hydroxy-2-methylpropanoyl), 1,2,9-tri-Ac 	C32H42O13	634.262541	NA	MeJP	NA	NA
+MJ087474	Azadirachtin M 	C32H42O13	634.262541	NA	MeJP	NA	NA
+PJ010771	VQEEM 	C25H42N6O11S	634.2633	NA	PeJP	NA	NA
+C18153	3-Hydroxyethylbacteriochlorophyllide a	C35H38MgN4O6	634.2642	NA	KEGG	NA	NA
+PJ010772	GCNRW 	C26H38N10O7S	634.2646	NA	PeJP	NA	NA
+C12045	Ansamitocin P3	C32H43ClN2O9	634.2657	NA	KEGG	NA	NA
+MJ087475	Maytansinol; 3-O-(2-Methylpropanoyl) 	C32H43ClN2O9	634.265708	NA	MeJP	NA	NA
+MJ087476	Maytansinol; 3-O-Butanoyl 	C32H43ClN2O9	634.265708	NA	MeJP	NA	NA
+PJ010773	GSSNDR 	C22H38N10O12	634.2671	NA	PeJP	NA	NA
+MJ087477	Curicycleatjine; 1-Epimer, 12-Me ether 	C38H38N2O7	634.267901	NA	MeJP	NA	NA
+MJ087478	Curicycleatjine; 12-Me ether 	C38H38N2O7	634.267901	NA	MeJP	NA	NA
+PJ010774	SSQQW 	C27H38N8O10	634.2711	NA	PeJP	NA	NA
+PJ010775	AEEMR 	C24H42N8O10S	634.2745	NA	PeJP	NA	NA
+PJ010776	GPEFW 	C32H38N6O8	634.2751	NA	PeJP	NA	NA
+MJ087479	Shizukaol B; 13,15-Dideacyl, 15-tigloyl 	C36H42O10	634.277797	NA	MeJP	NA	NA
+PJ010777	GLEMW 	C29H42N6O8S	634.2785	NA	PeJP	NA	NA
+MJ087480	Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonylphenylalanylphenylanine 	C37H38N4O6	634.279134	NA	MeJP	NA	NA
+MJ087481	2-Butyl-3,4-dihydro-4-oxo-N,N-diphenyl-3-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-5H-imidazo[4,5-c]pyridine-5-acetamide 	C38H34N8O2	634.280472	NA	MeJP	NA	NA
+PJ010778	TKEEE 	C25H42N6O13	634.281	NA	PeJP	NA	NA
+PJ010779	PKEMM 	C26H46N6O8S2	634.2819	NA	PeJP	NA	NA
+PJ010780	VNEHH 	C26H38N10O9	634.2823	NA	PeJP	NA	NA
+PJ010781	GGVEHH 	C26H38N10O9	634.2824	NA	PeJP	NA	NA
+PJ010782	SNQMR 	C23H42N10O9S	634.2857	NA	PeJP	NA	NA
+PJ010783	GQHFF 	C31H38N8O7	634.2864	NA	PeJP	NA	NA
+C06540	Rescinnamine	C35H42N2O9	634.289	NA	KEGG	NA	NA
+MJ087482	Benzanthrin A 	C35H42N2O9	634.28903	NA	MeJP	NA	NA
+MJ087483	Reserpic acid; 3-Epimer, O-(3,4,5-trimethoxycinnamoyl), Me ester 	C35H42N2O9	634.28903	NA	MeJP	NA	NA
+MJ087484	Reserpic acid; O-(3,4,5-Trimethoxycinnamoyl), Me ester 	C35H42N2O9	634.28903	NA	MeJP	NA	NA
+PJ010784	GNKMW 	C28H42N8O7S	634.2897	NA	PeJP	NA	NA
+PJ010785	GGGKMW 	C28H42N8O7S	634.2898	NA	PeJP	NA	NA
+PJ010786	PFWW 	C36H38N6O5	634.2904	NA	PeJP	NA	NA
+PJ010787	TTEER 	C24H42N8O12	634.2922	NA	PeJP	NA	NA
+PJ010788	GGGSTKE 	C24H42N8O12	634.2923	NA	PeJP	NA	NA
+PJ010789	PTMMR 	C25H46N8O7S2	634.2931	NA	PeJP	NA	NA
+PJ010790	GEHHR 	C25H38N12O8	634.2936	NA	PeJP	NA	NA
+PJ010791	LMWW 	C33H42N6O5S	634.2938	NA	PeJP	NA	NA
+MJ087485	Immunopoietin G 	C29H42N6O10	634.296241	NA	MeJP	NA	NA
+MJ087486	Oxamicetin 	C29H42N6O10	634.296241	NA	MeJP	NA	NA
+PJ010792	STLEW 	C29H42N6O10	634.2963	NA	PeJP	NA	NA
+PJ010793	SCNRR 	C22H42N12O8S	634.2969	NA	PeJP	NA	NA
+PJ010794	GGSCRR 	C22H42N12O8S	634.297	NA	PeJP	NA	NA
+PJ010795	GVHHW 	C30H38N10O6	634.2976	NA	PeJP	NA	NA
+MJ087487	Synadenol; 7-(2-Methylbutanoyl), 3,8,14,20-tetra-Ac 	C33H46O12	634.298926	NA	MeJP	NA	NA
+PJ010796	VKEEM 	C26H46N6O10S	634.2996	NA	PeJP	NA	NA
+PJ010797	GSSTQR 	C23H42N10O11	634.3035	NA	PeJP	NA	NA
+PJ010798	SSQKW 	C28H42N8O9	634.3075	NA	PeJP	NA	NA
+PJ010799	HHRW 	C29H38N12O5	634.3088	NA	PeJP	NA	NA
+PJ010800	SLEMR 	C25H46N8O9S	634.3109	NA	PeJP	NA	NA
+PJ010801	GPLYW 	C33H42N6O7	634.3115	NA	PeJP	NA	NA
+PJ010802	SVLMW 	C30H46N6O7S	634.3149	NA	PeJP	NA	NA
+PJ010803	SSSLLE 	C26H46N6O12	634.3174	NA	PeJP	NA	NA
+PJ010804	LLQMM 	C27H50N6O7S2	634.3183	NA	PeJP	NA	NA
+PJ010805	GQQFR 	C27H42N10O8	634.3187	NA	PeJP	NA	NA
+PJ010806	GGGAAFR 	C27H42N10O8	634.3188	NA	PeJP	NA	NA
+PJ010807	SNKMR 	C24H46N10O8S	634.3221	NA	PeJP	NA	NA
+PJ010808	PPVHW 	C32H42N8O6	634.3228	NA	PeJP	NA	NA
+MJ087488	Ansatrienin B; 20,23-Quinone, 1'',2''-didehydro 	C36H46N2O8	634.325416	NA	MeJP	NA	NA
+PJ010809	ACKKW 	C29H46N8O6S	634.3261	NA	PeJP	NA	NA
+PJ010810	GSSKKE 	C25H46N8O11	634.3286	NA	PeJP	NA	NA
+PJ010811	VVMMR 	C26H50N8O6S2	634.3295	NA	PeJP	NA	NA
+PJ010812	SVHHR 	C26H42N12O7	634.33	NA	PeJP	NA	NA
+MJ087489	Sungucine 	C42H42N4O2	634.330776	NA	MeJP	NA	NA
+PJ010813	PVKEY 	C30H46N6O9	634.3326	NA	PeJP	NA	NA
+PJ010814	GPVVTY 	C30H46N6O9	634.3327	NA	PeJP	NA	NA
+MJ087490	11,12-Epoxy-10(14)-oplopene-2,3,4,9-tetrol, 9-(4-Acetoxy-3-methyl-2E-pentenoyl), 2-(2-methylbutanoyl), 3-(2-methylpropanoyl), 4-Ac 	C34H50O11	634.335312	NA	MeJP	NA	NA
+MJ087491	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(O-acetyl-6-deoxy-3-O-methyl-?-L-mannopyranoside) 	C34H50O11	634.335312	NA	MeJP	NA	NA
+MJ087492	3,14,20-Trihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H50O11	634.335312	NA	MeJP	NA	NA
+MJ087493	3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H50O11	634.335312	NA	MeJP	NA	NA
+MJ087494	4,18-Epoxy-1,6,12,19-tetrahydroxy-13-cleroden-15,16-olide, 1,12-Bis(2-methylbutanoyl), di-Ac 	C34H50O11	634.335312	NA	MeJP	NA	NA
+MJ087495	Aplysiatoxin; Debromo, 30-Ac 	C34H50O11	634.335312	NA	MeJP	NA	NA
+PJ010815	GTTLLM 	C27H50N6O9S	634.336	NA	PeJP	NA	NA
+2796	platelet inhibitor(fr,106-116 of bovine k-casein)	MAIPPKKNQDK	634.3376	MH2+	Inhouse_peptide	NA	peptide
+3292	bovine kappa-casein fr,106-116	MAIPPKKNQDK	634.3376	MH2+	Inhouse_peptide	NA	peptide
+PJ010816	GSSTKR 	C24H46N10O10	634.3399	NA	PeJP	NA	NA
+PJ010817	SSKKW 	C29H46N8O8	634.3439	NA	PeJP	NA	NA
+PJ010818	TQKKM 	C26H50N8O8S	634.3472	NA	PeJP	NA	NA
+PJ010819	GATKKM 	C26H50N8O8S	634.3473	NA	PeJP	NA	NA
+PJ010820	GLLFW 	C34H46N6O6	634.3479	NA	PeJP	NA	NA
+MJ087496	Vilasinin; 1,7-Ditigloyl, 3-Ac 	C38H50O8	634.350568	NA	MeJP	NA	NA
+PJ010821	PLKMF 	C31H50N6O6S	634.3513	NA	PeJP	NA	NA
+PJ010822	STTTLL 	C27H50N6O11	634.3538	NA	PeJP	NA	NA
+PJ010823	LLKMM 	C28H54N6O6S2	634.3546	NA	PeJP	NA	NA
+PJ010824	GQKFR 	C28H46N10O7	634.3551	NA	PeJP	NA	NA
+PJ010825	TCKKR 	C25H50N10O7S	634.3585	NA	PeJP	NA	NA
+PJ010826	GTTTKK 	C26H50N8O10	634.365	NA	PeJP	NA	NA
+PJ010827	VLLQY 	C31H50N6O8	634.369	NA	PeJP	NA	NA
+MJ087497	16,23:23,26:24,25-Triepoxycycloart-7-ene-1,3,26-triol, 7,8-Dihydro, 3-O-?-D-xylopyranoside 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087498	16,26-Dihydroxycholest-4-ene-3,22-dione, 26-O-?-D-Glucopyranoside, 16-Ac 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087499	21,24-Epoxy-1,7,23,24,25-pentahydroxy-3,4-secoapotirucalla-4(28),14-dien-3-oic acid, 1,7-Di-Ac, Me ester 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087500	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac, 3-O-(2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside) 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087501	3,11,24,25-Tetrahydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087502	3,14-Dihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087503	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside 	C35H54O10	634.371697	NA	MeJP	NA	NA
+MJ087504	Pregn-5-ene-3,12,14,17,20-pentol, 12-Tigloyl, 20-Ac, 3-O-?-D-cymaropyranoside 	C35H54O10	634.371697	NA	MeJP	NA	NA
+PJ010828	ALLRY 	C30H50N8O7	634.3803	NA	PeJP	NA	NA
+PJ010829	TKKKM 	C27H54N8O7S	634.3836	NA	PeJP	NA	NA
+MJ087505	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-E-cinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087506	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-Z-cinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087507	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-(4-Hydroxycinnamoyl)(E-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087508	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(4-Hydroxycinnamoyl)(E-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087509	2,3,23-Trihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxycinnamoyl)(E-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087510	2,3,24-Trihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxycinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087511	2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-(p-Hydroxycinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087512	2,3-Dihydroxy-12-ursen-28-oic acid, 3-(3,4-Dihydroxycinnamoyl)(E-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087513	2,3-Dihydroxy-12-ursen-28-oic acid, 3-(3,4-Dihydroxycinnamoyl)(Z-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087514	20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(3,4-dihydroxycinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087515	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-(3,4-dihydroxy-E-cinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087516	3,19,23-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-E-cinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087517	3,21,24,30-Tetrahydroxy-14-serraten-16-one, 30-(4-Hydroxycinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087518	3,23-Dihydroxy-12-oleanen-28-oic acid, 23-O-(3,4-Dihydroxy-E-cinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087519	3,23-Dihydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087520	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(3,4-Dihydroxycinnamoyl)(E-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087521	3,28-Dihydroxy-20(29)-lupen-27-oic acid, 28-(3,4-Dihydroxycinnamoyl)(E-) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087522	3,30-Dihydroxy-12-oleanen-28-oic acid, 30-O-(3,4-Dihydroxycinnamoyl) 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087523	Glabretal; 3-Benzoyl 	C39H54O7	634.386954	NA	MeJP	NA	NA
+MJ087524	Capuvosine 	C40H50N4O3	634.388291	NA	MeJP	NA	NA
+PJ010830	GKKFR 	C29H50N10O6	634.3915	NA	PeJP	NA	NA
+MJ087525	Flexirubin 	C43H54O4	634.40221	NA	MeJP	NA	NA
+PJ010831	VLLKY 	C32H54N6O7	634.4054	NA	PeJP	NA	NA
+MJ087526	1,3,23-Trihydroxy-12-oleanen-29-oic acid, 23-O-?-L-Rhamnopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087527	1,3-Dihydroxycycloart-24-en-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087528	12-Oleanene-3,16,28-triol, 3-O-?-D-Glucuronopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087529	12-Oleanene-3,22,24-triol, 3-O-?-D-Glucuronopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087530	13,28-Epoxy-11-oleanene-3,16,21,23-tetrol, 3-O-?-D-Fucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087531	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-?-D-Galactopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087532	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087533	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22-Lactone, 24-O-?-D-glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087534	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087535	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(6-Deoxy-?-D-glucopyranoside) 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087536	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-?-D-Fucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087537	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Rhamnopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087538	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Galactopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087539	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087540	2,3-Dihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087541	3,16-Dihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087542	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087543	3,19-Dihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087544	3,19-Dihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087545	3,20,26-Trihydroxycucurbita-5,24-dien-11-one, 3-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087546	3,21-Dihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087547	3,7,23-Trihydroxycucurbita-5,24-dien-19-al, 23-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087548	3,7,25-Trihydroxycucurbita-5,23-dien-19-al, 7-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087549	3,7-Dihydroxylanosta-8,24-dien-21-oic acid, 7-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087550	Cimigenol; 25-Me ether, 3-O-xyloside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087551	Hederagenin 3-glycosides; Monoglycosides, 3-O-?-D-Glucopyranoside 	C36H58O9	634.408083	NA	MeJP	NA	NA
+MJ087552	Eldacimibe 	C39H58N2O5	634.434572	NA	MeJP	NA	NA
+HMDB07346	DG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H62O5	634.459717	NA	HMDB2010	NA	NA
+HMDB07570	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H62O5	634.459717	NA	HMDB2010	NA	NA
+MJ087553	Fritillebinide C 	C42H66O4	634.49611	NA	MeJP	NA	NA
+HMDB07088	DG(15:0/22:2(13Z,16Z)/0:0)	C40H74O5	634.55365	NA	HMDB2010	NA	NA
+HMDB07648	DG(22:2(13Z,16Z)/15:0/0:0)	C40H74O5	634.55365	NA	HMDB2010	NA	NA
+MJ087554	Ergosta-5,7,22-trien-3-ol, Hexadecanoyl 	C44H74O2	634.568881	NA	MeJP	NA	NA
+MJ087555	N,N,N-Trimethyl-2,3-bis(9-octadecenyloxy)-1-propanaminium(1+) 	C42H84NO2	634.650205	NA	MeJP	NA	NA
+MJ087556	22-Methyl-22-tritetracontanol 	C44H90O	634.699167	NA	MeJP	NA	NA
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR440	Methylcobalamine (degrade en cobalamine) F5	NA	634.765575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR440	Methylcobalamine (degrade en cobalamine) F5	NA	634.765575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR440	Methylcobalamine (degrade en cobalamine) F5	NA	634.765575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR440	Méthylcobalamine (dégradé en cobalamine) F5	F5	634.765575	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR440	Methylcobalamine (degrade en cobalamine) F5	NA	634.765575	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR440	Methylcobalamine (degrade en cobalamine) F5	F5	634.765575	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ087557	Araplysillin I; 14-Debromo 	C21H24Br3N3O5	634.926608	NA	MeJP	NA	NA
+C11278	Aflatoxin B1exo-8,9-epoxide-GSH	C27H29N3O13S	635.1421	NA	KEGG	NA	NA
+PJ010832	GCCCNH 	C21H33N9O8S3	635.1615	NA	PeJP	NA	NA
+C13540	Perphenazine maleate	C21H26ClN3OS	635.1704	NA	KEGG	NA	NA
+C13541	Transferred to D02038	C21H26ClN3OS	635.1704	NA	KEGG	NA	NA
+PJ010833	CDMMH 	C23H37N7O8S3	635.1866	NA	PeJP	NA	NA
+PJ010834	DDEEE 	C23H33N5O16	635.1923	NA	PeJP	NA	NA
+PJ010835	GCNNND 	C21H33N9O12S	635.197	NA	PeJP	NA	NA
+PJ010836	CDDHF 	C26H33N7O10S	635.201	NA	PeJP	NA	NA
+PJ010837	GSNDDE 	C22H33N7O15	635.2035	NA	PeJP	NA	NA
+PJ010838	GPCNDM 	C23H37N7O10S2	635.2044	NA	PeJP	NA	NA
+PJ010839	CCHHH 	C24H33N11O6S2	635.2057	NA	PeJP	NA	NA
+PJ010840	GCMYY 	C28H37N5O8S2	635.2084	NA	PeJP	NA	NA
+PJ010841	SNDDW 	C26H33N7O12	635.2187	NA	PeJP	NA	NA
+PJ010842	GGSDDW 	C26H33N7O12	635.2188	NA	PeJP	NA	NA
+PJ010843	PCCQW 	C27H37N7O7S2	635.2196	NA	PeJP	NA	NA
+PJ010844	NNEEM 	C23H37N7O12S	635.2221	NA	PeJP	NA	NA
+PJ010845	SMMMH 	C24H41N7O7S3	635.223	NA	PeJP	NA	NA
+PJ010846	STCYY 	C28H37N5O10S	635.2261	NA	PeJP	NA	NA
+PJ010847	TEEEE 	C24H37N5O15	635.2286	NA	PeJP	NA	NA
+PJ010848	PEEMM 	C25H41N5O10S2	635.2295	NA	PeJP	NA	NA
+MJ087558	Meglucycline 	C29H37N3O13	635.232638	NA	MeJP	NA	NA
+PJ010849	GSNNNM 	C22H37N9O11S	635.2333	NA	PeJP	NA	NA
+PJ010850	CNDER 	C22H37N9O11S	635.2334	NA	PeJP	NA	NA
+MJ087559	Barbaline 	C34H37NO11	635.236661	NA	MeJP	NA	NA
+PJ010851	GNEMW 	C27H37N7O9S	635.2374	NA	PeJP	NA	NA
+PJ010852	GSSQEE 	C23H37N7O14	635.2399	NA	PeJP	NA	NA
+PJ010853	GSPNMM 	C24H41N7O9S2	635.2407	NA	PeJP	NA	NA
+PJ010854	GGAPTCM 	C24H41N7O9S2	635.2408	NA	PeJP	NA	NA
+PJ010855	NNDHH 	C24H33N11O10	635.2412	NA	PeJP	NA	NA
+PJ010856	GCFFY 	C32H37N5O7S	635.2414	NA	PeJP	NA	NA
+PJ010857	PDEEF 	C28H37N5O12	635.2439	NA	PeJP	NA	NA
+PJ010858	VEEEM 	C25H41N5O12S	635.2473	NA	PeJP	NA	NA
+PJ010859	GCDRW 	C26H37N9O8S	635.2486	NA	PeJP	NA	NA
+PJ010860	GSSDDR 	C22H37N9O13	635.2511	NA	PeJP	NA	NA
+PJ010861	GPTCCR 	C23H41N9O8S2	635.252	NA	PeJP	NA	NA
+PJ010862	NMWW 	C31H37N7O6S	635.2526	NA	PeJP	NA	NA
+PJ010863	SSQEW 	C27H37N7O11	635.2551	NA	PeJP	NA	NA
+PJ010864	PCCKW 	C28H41N7O6S2	635.256	NA	PeJP	NA	NA
+PJ010865	NDKEM 	C24H41N7O11S	635.2585	NA	PeJP	NA	NA
+PJ010866	QYYY 	C32H37N5O9	635.2591	NA	PeJP	NA	NA
+C15620	GW 6471	C35H36F3N3O5	635.2607	NA	KEGG	NA	NA
+PJ010867	PPEMY 	C29H41N5O9S	635.2625	NA	PeJP	NA	NA
+PJ010868	NNNQF 	C26H37N9O10	635.2664	NA	PeJP	NA	NA
+PJ010869	SNEMR 	C23H41N9O10S	635.2697	NA	PeJP	NA	NA
+PJ010870	GGGGGTCK 	C23H41N9O10S	635.2698	NA	PeJP	NA	NA
+PJ010871	GSTWW 	C31H37N7O8	635.2704	NA	PeJP	NA	NA
+MJ087560	Himbosine 	C35H41NO10	635.273046	NA	MeJP	NA	NA
+MJ087561	Rifamycin Z; 8-Deoxy 	C35H41NO10	635.273046	NA	MeJP	NA	NA
+PJ010872	ATQMW 	C28H41N7O8S	635.2737	NA	PeJP	NA	NA
+PJ010873	GDKMW 	C28H41N7O8S	635.2738	NA	PeJP	NA	NA
+PJ010874	ASTTQE 	C24H41N7O13	635.2762	NA	PeJP	NA	NA
+PJ010875	GSSKEE 	C24H41N7O13	635.2763	NA	PeJP	NA	NA
+PJ010876	VQQMM 	C25H45N7O8S2	635.2771	NA	PeJP	NA	NA
+PJ010877	SQQHH 	C25H37N11O9	635.2776	NA	PeJP	NA	NA
+PJ010878	PVEEY 	C29H41N5O11	635.2803	NA	PeJP	NA	NA
+PJ010879	SCDRR 	C22H41N11O9S	635.281	NA	PeJP	NA	NA
+7694	ACE inhibitor from wakame	YKYY	635.283	antioxidative	Inhouse_peptide	NA	peptide
+MJ087562	Anthraserpine; 4',5'-Dimethoxy 	C34H41N3O9	635.284279	NA	MeJP	NA	NA
+PJ010880	GSMRW 	C27H41N9O7S	635.285	NA	PeJP	NA	NA
+PJ010881	HFFW 	C35H37N7O5	635.2856	NA	PeJP	NA	NA
+PJ010882	GSSTER 	C23H41N9O12	635.2875	NA	PeJP	NA	NA
+PJ010883	AQMMR 	C24H45N9O7S2	635.2884	NA	PeJP	NA	NA
+PJ010884	SSKEW 	C28H41N7O10	635.2915	NA	PeJP	NA	NA
+PJ010885	TQKEM 	C25H45N7O10S	635.2949	NA	PeJP	NA	NA
+PJ010886	KYYY 	C33H41N5O8	635.2955	NA	PeJP	NA	NA
+PJ010887	PLEMF 	C30H45N5O8S	635.2989	NA	PeJP	NA	NA
+PJ010888	ACMRR 	C23H45N11O6S2	635.2996	NA	PeJP	NA	NA
+2712	erythromycin inhibitor	MKLNM	635.3017	NA	Inhouse_peptide	NA	peptide
+PJ010889	LLEMM 	C27H49N5O8S2	635.3023	NA	PeJP	NA	NA
+PJ010890	SSTRW 	C27H41N9O9	635.3027	NA	PeJP	NA	NA
+PJ010891	GGSPRY 	C27H41N9O9	635.3028	NA	PeJP	NA	NA
+PJ010892	SDKMR 	C24H45N9O9S	635.3061	NA	PeJP	NA	NA
+PJ010893	GVQFW 	C32H41N7O7	635.3068	NA	PeJP	NA	NA
+PJ010894	ATKMW 	C29H45N7O7S	635.3101	NA	PeJP	NA	NA
+MJ087563	Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Serine analogue 	C29H45N7O7S	635.310117	NA	MeJP	NA	NA
+PJ010895	GGPKMF 	C29H45N7O7S	635.3102	NA	PeJP	NA	NA
+PJ010896	GTTTKE 	C25H45N7O12	635.3126	NA	PeJP	NA	NA
+PJ010897	VQKMM 	C26H49N7O7S2	635.3135	NA	PeJP	NA	NA
+PJ010898	SQKHH 	C26H41N11O8	635.314	NA	PeJP	NA	NA
+PJ010899	VLEEF 	C30H45N5O10	635.3167	NA	PeJP	NA	NA
+PJ010900	SSMRR 	C23H45N11O8S	635.3173	NA	PeJP	NA	NA
+PJ010901	QFRW 	C31H41N9O6	635.318	NA	PeJP	NA	NA
+PJ010902	VLMHH 	C28H45N9O6S	635.3214	NA	PeJP	NA	NA
+PJ010903	SSSSLR 	C24H45N9O11	635.3239	NA	PeJP	NA	NA
+PJ010904	AKMMR 	C25H49N9O6S2	635.3247	NA	PeJP	NA	NA
+PJ010905	VCKMR 	C25H49N9O6S2	635.3248	NA	PeJP	NA	NA
+PJ010906	TTTKW 	C29H45N7O9	635.3279	NA	PeJP	NA	NA
+PJ010907	TKKEM 	C26H49N7O9S	635.3313	NA	PeJP	NA	NA
+PJ010908	PPLFY 	C34H45N5O7	635.3319	NA	PeJP	NA	NA
+PJ010909	PLLMY 	C31H49N5O7S	635.3353	NA	PeJP	NA	NA
+PJ010910	GLQRY 	C28H45N9O8	635.3391	NA	PeJP	NA	NA
+PJ010911	TTKMR 	C25H49N9O8S	635.3425	NA	PeJP	NA	NA
+MJ087564	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Phenylalanine analogue 	C33H45N7O6	635.343132	NA	MeJP	NA	NA
+PJ010912	GVKFW 	C33H45N7O6	635.3432	NA	PeJP	NA	NA
+PJ010913	SSTTLK 	C26H49N7O11	635.349	NA	PeJP	NA	NA
+PJ010914	VKKMM 	C27H53N7O6S2	635.3499	NA	PeJP	NA	NA
+PJ010915	AARRY 	C27H45N11O7	635.3504	NA	PeJP	NA	NA
+PJ010916	VLLEY 	C31H49N5O9	635.353	NA	PeJP	NA	NA
+PJ010917	KFRW 	C32H45N9O5	635.3544	NA	PeJP	NA	NA
+PJ010918	APHRR 	C26H45N13O6	635.3616	NA	PeJP	NA	NA
+PJ010919	PTKKY 	C30H49N7O8	635.3643	NA	PeJP	NA	NA
+MJ087565	Germine; O15-(R)-2-Methylbutanoyl, O3-Ac 	C34H53NO10	635.366946	NA	MeJP	NA	NA
+MJ087566	Germine; O15-(R)-2-Methylbutanoyl, O7-Ac 	C34H53NO10	635.366946	NA	MeJP	NA	NA
+PJ010920	PLLFF 	C35H49N5O6	635.3683	NA	PeJP	NA	NA
+PJ010921	LLLMF 	C32H53N5O6S	635.3717	NA	PeJP	NA	NA
+PJ010922	GLKRY 	C29H49N9O7	635.3755	NA	PeJP	NA	NA
+PJ010923	PVKHR 	C28H49N11O6	635.3868	NA	PeJP	NA	NA
+PJ010924	VVKKY 	C31H53N7O7	635.4007	NA	PeJP	NA	NA
+EUR783	Lyso PC 22:2 [M-H+acetate]-	C30H58NO7P	635.416192	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR783	Lyso PC 22:2 [M-H+acetate]-	C30H58NO7P	635.416192	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR783	Lyso PC 22:2 [M-H+acetate]-	C30H58NO7P	635.416192	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR783	Lyso PC 22:2 [M-H+acetate]-	C30H58NO7P	635.416192	masses lipides attendues	Inhousejuil11	NA	NA
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR540	14 :0 PE F1	NA	635.449025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB08821	PE(14:0/14:0)	C33H66NO8P	635.452576	NA	HMDB2010	NA	NA
+HMDB05313	Dimyristoylphosphatidylethanolamine	C33H66NO8P	635.45258	http://www.hmdb.ca/metabolites/HMDB05313	HMDB	NA	NA
+HMDB05313	Dimyristoylphosphatidylethanolamine	C33H66NO8P	635.45258	HMDB05313	PFEM_hmdb_metabocards_official	NA	NA
+MJ087567	Antibiotic MS 282; Antibiotic MS 282A 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087568	Antibiotic MS 282; Antibiotic MS 282B 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087569	Pamamycin; Pamamycin 635A 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087570	Pamamycin; Pamamycin 635B 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087571	Pamamycin; Pamamycin 635C 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087572	Pamamycin; Pamamycin 635D 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087573	Pamamycin; Pamamycin 635E 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+MJ087574	Pamamycin; Pamamycin 635F 	C37H65NO7	635.476103	NA	MeJP	NA	NA
+HMDB00950	Cer(d18:1/23:0)	C41H81NO3	635.621643	NA	HMDB2010	NA	NA
+MJ087575	2-Amino-16-methyl-4-heptadecene-1,3-diol, N-(21-Methyldocosanoyl) 	C41H81NO3	635.621645	NA	MeJP	NA	NA
+MJ087576	2-Amino-16-methyl-4-octadecene-1,3-diol, N-Docosanoyl 	C41H81NO3	635.621645	NA	MeJP	NA	NA
+MJ087577	2-Amino-4-octadecene-1,3-diol, N-Tricosanoyl 	C41H81NO3	635.621645	NA	MeJP	NA	NA
+MJ087578	4,4',6,6'-Tetrabromo-2,2'-bis(methylthio)-3,3'-bi-1H-indole 	C18H12Br4N2S2	635.71754	NA	MeJP	NA	NA
+MJ087579	Thyropropic acid 	C15H11I3O4	635.779139	NA	MeJP	NA	NA
+8205	peptide from Cornu Bubali (Bubalus Bubalis horn)	AADNANELFPPN	635.7823	MH2+	Inhouse_peptide	NA	peptide
+FL3FFAGSS005	Isoscutellarein 4'-methyl ether 8-(2'',4''-disulfatoglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid 2,4-bis(hydrogen sulfate)	C22H20O18S2	636.0091	351223-99-9	knapsack	NA	NA
+MJ087580	5,7,8-Trihydroxy-4'-methoxyflavone; 8-O-(2,4-Di-O-sulfo-?-D-glucuronopyranoside) 	C22H20O18S2	636.009105	NA	MeJP	NA	NA
+MJ087581	Hydroxyphenylmercury; Borate 	C12H13BHg2O4	636.03194	NA	MeJP	NA	NA
+PJ010925	CCCCCC 	C18H32N6O7S6	636.0657	NA	PeJP	NA	NA
+MJ087582	Diphlorethohydroxycarmalol; 4'-(3,5-Dihydroxyphenoxy) 	C30H20O16	636.075134	NA	MeJP	NA	NA
+MJ087583	1,2,3-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087584	1,2,3-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087585	1,2,4-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087586	1,2,4-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087587	1,2,6-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087588	1,2,6-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087589	1,3,4-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087590	1,3,6-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087591	1,4,6-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087592	1,4,6-Trigalloylglucose; ?-D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087593	2,4,6-Trigalloylglucose; D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087594	2-C-Hydroxymethylribose; D-Furanose-form, 1,2',5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087595	2-C-Hydroxymethylribose; D-Furanose-form, 2',3,5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087596	2-C-Hydroxymethylribose; D-Furanose-form, 2,2',5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087597	2-C-Hydroxymethylribose; ?-D-Furanose-form, 2',3,5-Tris(3,4,5-trihydroxybenzoyl) 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087598	3,4,6-Trigalloylglucose; D-Pyranose-form 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087599	Allose; ?-D-Pyranose-form, 1,2,6-Tris-O-(3,4,5-trihydroxybenzoyl) 	C27H24O18	636.096263	NA	MeJP	NA	NA
+MJ087600	Allose; ?-D-Pyranose-form, 1,3,6-Tris-O-(3,4,5-trihydroxybenzoyl) 	C27H24O18	636.096263	NA	MeJP	NA	NA
+C04360	1-O,2-O,6-O-Trigalloyl-beta-D-glucose	C27H24O18	636.0963	NA	KEGG	NA	NA
+C04361	1-O-Alkyl-2-acetyl-3-acyl-sn-glycerol	C6H8O5R2	636.0963	NA	KEGG	NA	NA
+C04364	2-Hexadecenoyl-[acyl-carrier protein]	C6H8O5R2	636.0963	NA	KEGG	NA	NA
+C04365	3'-Hydroxy-terminated oligonucleotide	C10H17O8PR2	636.0963	NA	KEGG	NA	NA
+C17458	Gallotannin	C27H24O18	636.0963	NA	KEGG	NA	NA
+FL3FABGS0007	Acacetin 7-glucuronosyl-(1->2)-glucuronide	C28H28O17	636.13264	36730-68-4	knapsack	NA	NA
+MJ087601	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C28H28O17	636.132649	NA	MeJP	NA	NA
+MJ087602	Betanidin; 15-Epimer, 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C27H28N2O16	636.143882	NA	MeJP	NA	NA
+MJ087603	Betanidin; 5-O-(6-O-Malonyl-?-D-glucopyranoside) 	C27H28N2O16	636.143882	NA	MeJP	NA	NA
+PJ010926	GCCCDH 	C21H32N8O9S3	636.1455	NA	PeJP	NA	NA
+FL5FAAGL0071	Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside)	C32H28O14	636.1479	115651-95-1	knapsack	NA	NA
+FL5FAAGS0110	Kaempferol 3-(2''-(E)-p-coumaroyl-6''-acetylglucoside);Dentatiflavonoid;3-[[6-O-Acetyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H28O14	636.1479	351491-18-4	knapsack	NA	NA
+FL5FAAGS0111	Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H28O14	636.1479	557765-92-1	knapsack	NA	NA
+MJ087604	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid 	C32H28O14	636.147905	NA	MeJP	NA	NA
+MJ087605	Astragalin; 6''-O-(4-Hydroxycinnamoyl), mono-Ac 	C32H28O14	636.147905	NA	MeJP	NA	NA
+MJ087606	Astragalin; 6''-O-4-Hydroxycinnamoyl, 4''-Ac 	C32H28O14	636.147905	NA	MeJP	NA	NA
+FL3FAAGS0050	Apigenin 7-(6'''-acetylallosyl-(1->2)glucoside)	C29H32O16	636.16903	135626-72-1	knapsack	NA	NA
+FL3FAAGS0053	Apigenin 7-(6''-acetylalloside)-4'-alloside	C29H32O16	636.16903	95690-52-1	knapsack	NA	NA
+FL3FADDS0004	8-C-beta-D-Xylopyranosylchrysoeriol 4'-O-acetyl 2''-O-glucoside	C29H32O16	636.16903	381734-32-3	knapsack	NA	NA
+FL3FAEGS0013	Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside);7-[(6-O-Acetyl-2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C29H32O16	636.16903	244173-89-5	knapsack	NA	NA
+FL5FAAGA0036	Kaempferol 3-(6''-acetylgalactoside)-7-rhamnoside	C29H32O16	636.16903	124097-45-6	knapsack	NA	NA
+FL5FAAGL0088	Kaempferol 3-(6''-acetylglucoside)-7-rhamnoside	C29H32O16	636.16903	66465-24-5	knapsack	NA	NA
+FL5FAAGS0063	Multiflorin A	C29H32O16	636.16903	61358-52-9	knapsack	NA	NA
+FL5FACGS0057	Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside	C29H32O16	636.16903	104594-65-2	knapsack	NA	NA
+FL5FCDGL0004	Rhamnazin 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]	C29H32O16	636.16903	119725-29-0	knapsack	NA	NA
+FLIA2CGS0002	Fujikinetin 7-O-laminaribioside	C29H32O16	636.16903	68862-14-6	knapsack	NA	NA
+MJ087607	3',4',6,7-Tetrahydroxyisoflavone; 3',4'-Methylene, 6-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087608	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Apiofuranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087609	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[4R-Carboxy-3-hydroxy-3-methylbutanoyl-(?3)-?-D-glucopyranoside] 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087610	4',5,7-Trihydroxyflavone; 7-O-(6-O-Acetyl-?-D-allopyranoside), 4'-O-?-D-allopyranoside 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087611	4',5-Dihydroxy-6,7-methylenedioxyisoflavone; 5-Me ether, 4'-O-[?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087612	Afzelin; 4''-O-?-D-Glucopyranosyl, 2'' or 3''-O-Ac 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087613	Cosmosiin; 2''-O-(6-O-Acetyl-?-D-allopyranosyl) 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087614	Quercitrin; 4''-Ac, 7-O-?-L-rhamnopyranoside 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087615	Vicenin 2; Mono-Ac 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087616	?-Rhamnoisorobin; 3-O-(6-O-Acetyl-?-D-galactopyranoside) 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087617	?-Rhamnoisorobin; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C29H32O16	636.169034	NA	MeJP	NA	NA
+MJ087618	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C29H33O16(+)	636.169035	NA	MeJP	NA	NA
+MJ087619	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C29H33O16(+)	636.169035	NA	MeJP	NA	NA
+MJ087620	Keracyanin; 2'''-Ac 	C29H33O16(+)	636.169035	NA	MeJP	NA	NA
+PJ010927	PPCCCD 	C23H36N6O9S3	636.1706	NA	PeJP	NA	NA
+PJ010928	GCNNDD 	C21H32N8O13S	636.181	NA	PeJP	NA	NA
+PJ010929	ATCCCH 	C22H36N8O8S3	636.1818	NA	PeJP	NA	NA
+PJ010930	GSCCMH 	C22H36N8O8S3	636.1819	NA	PeJP	NA	NA
+PJ010931	GSDDDE 	C22H32N6O16	636.1875	NA	PeJP	NA	NA
+PJ010932	GPCDDM 	C23H36N6O11S2	636.1884	NA	PeJP	NA	NA
+PJ010933	SSTCCH 	C22H36N8O10S2	636.1996	NA	PeJP	NA	NA
+PJ010934	SDDDW 	C26H32N6O13	636.2028	NA	PeJP	NA	NA
+PJ010935	PCCEW 	C27H36N6O8S2	636.2036	NA	PeJP	NA	NA
+MJ087621	1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1-(3-furoyl), 2,3,6,9,14-penta-Ac 	C30H36O15	636.20542	NA	MeJP	NA	NA
+MJ087622	7-Hydroxy-3',4',5-trimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O15	636.20542	NA	MeJP	NA	NA
+MJ087623	Isoorientin; 2''-O-?-L-Rhamnopyranosyl, 3',4',7-tri-Me ether 	C30H36O15	636.20542	NA	MeJP	NA	NA
+MJ087624	Puerol A; 4''-Me ether, 2'',4'-di-O-?-D-glucopyranoside 	C30H36O15	636.20542	NA	MeJP	NA	NA
+FL3FCFCS0002	Linoside B	C30H36O15	636.20542	38890-93-6	knapsack	NA	NA
+FL3FCKGS0003	Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside;5-[(6-Deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-7-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one	C30H36O15	636.20542	410532-07-9	knapsack	NA	NA
+PJ010936	NDEEM 	C23H36N6O13S	636.2061	NA	PeJP	NA	NA
+PJ010937	SPPCCM 	C24H40N6O8S3	636.207	NA	PeJP	NA	NA
+MJ087625	?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?3)-L-arabinose 	C23H40O20	636.211293	NA	MeJP	NA	NA
+MJ087626	Cyclamotetraose 	C23H40O20	636.211293	NA	MeJP	NA	NA
+MJ087627	Lycotetraose 	C23H40O20	636.211293	NA	MeJP	NA	NA
+PJ010938	CCQHF 	C26H36N8O7S2	636.2149	NA	PeJP	NA	NA
+PJ010939	CDDER 	C22H36N8O12S	636.2174	NA	PeJP	NA	NA
+PJ010940	GDEMW 	C27H36N6O10S	636.2214	NA	PeJP	NA	NA
+PJ010941	GSSEEE 	C23H36N6O15	636.2239	NA	PeJP	NA	NA
+PJ010942	GSPDMM 	C24H40N6O10S2	636.2248	NA	PeJP	NA	NA
+PJ010943	NDDHH 	C24H32N10O11	636.2252	NA	PeJP	NA	NA
+MJ087628	2,3-Dihydroxy-2-(2-methylpropyl)butanedioic acid, 2-O-?-D-Glucopyranoside, 1-(4-?-D-glucopyranosyloxybenzyl) ester 	C27H40O17	636.226549	NA	MeJP	NA	NA
+PJ010944	SCNQW 	C26H36N8O9S	636.2326	NA	PeJP	NA	NA
+PJ010945	SSSNNE 	C22H36N8O14	636.2351	NA	PeJP	NA	NA
+PJ010946	NNQMM 	C23H40N8O9S2	636.236	NA	PeJP	NA	NA
+PJ010947	DMWW 	C31H36N6O7S	636.2366	NA	PeJP	NA	NA
+PJ010948	SSEEW 	C27H36N6O12	636.2391	NA	PeJP	NA	NA
+PJ010949	GGPDEY 	C27H36N6O12	636.2392	NA	PeJP	NA	NA
+PJ010950	PTCMW 	C28H40N6O7S2	636.24	NA	PeJP	NA	NA
+MJ087629	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 16-acetoxy, 2-propanoyl, 4,9,14-tri-Ac 	C31H40O14	636.241805	NA	MeJP	NA	NA
+PJ010951	TQEEM 	C24H40N6O12S	636.2425	NA	PeJP	NA	NA
+MJ087630	Agrobactin 	C32H36N4O10	636.243143	NA	MeJP	NA	NA
+PJ010952	EYYY 	C32H36N4O10	636.2432	NA	PeJP	NA	NA
+PJ010953	PQMMM 	C25H44N6O7S3	636.2434	NA	PeJP	NA	NA
+PJ010954	GSPCHH 	C25H36N10O8S	636.2439	NA	PeJP	NA	NA
+MJ087631	Maytansinol; 15R-Hydroxy, 3-O-propanoyl 	C31H41ClN2O10	636.244973	NA	MeJP	NA	NA
+MJ087632	Maytansinol; 30-Hydroxy, 3-O-propanoyl 	C31H41ClN2O10	636.244973	NA	MeJP	NA	NA
+MJ087633	Secocepharanthine 	C37H36N2O8	636.247166	NA	MeJP	NA	NA
+PJ010955	CNNMR 	C22H40N10O8S2	636.2472	NA	PeJP	NA	NA
+PJ010956	GSSSNW 	C26H36N8O11	636.2504	NA	PeJP	NA	NA
+PJ010957	CCKHF 	C27H40N8O6S2	636.2512	NA	PeJP	NA	NA
+PJ010958	SDEMR 	C23H40N8O11S	636.2537	NA	PeJP	NA	NA
+PJ010959	TDDMR 	C23H40N8O11S	636.2538	NA	PeJP	NA	NA
+PJ010960	GPDYW 	C31H36N6O9	636.2544	NA	PeJP	NA	NA
+PJ010961	PCMMR 	C24H44N8O6S3	636.2546	NA	PeJP	NA	NA
+MJ087634	1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1-Benzoyl, 9-cinnamoyl, 2,6-di-Ac 	C35H40O11	636.257062	NA	MeJP	NA	NA
+MJ087635	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 2,9-Dibenzoyl, 1,6,14-tri-Ac 	C35H40O11	636.257062	NA	MeJP	NA	NA
+MJ087636	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9,14-Dibenzoyl, 1,2,6-tri-Ac 	C35H40O11	636.257062	NA	MeJP	NA	NA
+MJ087637	Kadsurarin; 7,7'-Bisdeacyl, O7-(2-methylbutanoyl), O7'-benzoyl 	C35H40O11	636.257062	NA	MeJP	NA	NA
+PJ010962	ATEMW 	C28H40N6O9S	636.2578	NA	PeJP	NA	NA
+PJ010963	GTTTEE 	C24H40N6O14	636.2603	NA	PeJP	NA	NA
+PJ010964	VQEMM 	C25H44N6O9S2	636.2611	NA	PeJP	NA	NA
+PJ010965	GGLEMM 	C25H44N6O9S2	636.2612	NA	PeJP	NA	NA
+PJ010966	SQEHH 	C25H36N10O10	636.2616	NA	PeJP	NA	NA
+PJ010967	GSSCQR 	C22H40N10O10S	636.265	NA	PeJP	NA	NA
+PJ010968	GNNFW 	C30H36N8O8	636.2656	NA	PeJP	NA	NA
+PJ010969	GGGGGFW 	C30H36N8O8	636.2657	NA	PeJP	NA	NA
+MJ087638	10,11-Dimethoxy-1-methyldeacetylpicraline; 3,4,5-Trimethoxybenzoyl 	C34H40N2O10	636.268295	NA	MeJP	NA	NA
+PJ010970	SCNKW 	C27H40N8O8S	636.269	NA	PeJP	NA	NA
+PJ010971	SSSNDK 	C23H40N8O13	636.2715	NA	PeJP	NA	NA
+PJ010972	AEMMR 	C24H44N8O8S2	636.2724	NA	PeJP	NA	NA
+PJ010973	GPMFW 	C32H40N6O6S	636.273	NA	PeJP	NA	NA
+PJ010974	TTTEW 	C28H40N6O11	636.2755	NA	PeJP	NA	NA
+PJ010975	GLMMW 	C29H44N6O6S2	636.2764	NA	PeJP	NA	NA
+PJ010976	GTHHW 	C29H36N10O7	636.2769	NA	PeJP	NA	NA
+MJ087639	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 1,2-dibutanoyl, 6,14-di-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087640	3,6,8,12,14-Pentahydroxybufa-4,20,22-trienolide, 3-O-?-D-Glucopyranoside, 6-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087641	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 4?,20-Epoxide, hexa-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087642	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 3,6,7,9,14,20-Hexa-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087643	5,20-Epoxy-11-taxene-2,4,7,9,10,13-hexol, 2,4,7,9,10,13-Hexa-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087644	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 12-Butanoyl, 2,3,9,14-tetra-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087645	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3-Butanoyl, 2,9,12,14-tetra-Ac 	C32H44O13	636.278191	NA	MeJP	NA	NA
+MJ087646	Esulatin D 	C32H44O13	636.278191	NA	MeJP	NA	NA
+PJ010977	TKEEM 	C25H44N6O11S	636.2789	NA	PeJP	NA	NA
+PJ010978	PKMMM 	C26H48N6O6S3	636.2798	NA	PeJP	NA	NA
+PJ010979	VNMHH 	C26H40N10O7S	636.2802	NA	PeJP	NA	NA
+PJ010980	GGVMHH 	C26H40N10O7S	636.2803	NA	PeJP	NA	NA
+PJ010981	SSSSNR 	C22H40N10O12	636.2827	NA	PeJP	NA	NA
+MJ087647	Calafatimine 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087648	Insularoline; Me ether, 2'?-N-oxide 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087649	Insularoline; Me ether, 2?-N-oxide 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087650	Isotenuipine 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087651	Longiberine 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087652	Oxandrine; 12'-Me ether 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087653	Pseudoxandrine; 7-Me ether 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087654	Tenuipine 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+MJ087655	Thalsimidine; Me ether 	C38H40N2O7	636.283551	NA	MeJP	NA	NA
+C09369	Calafatimine	C38H40N2O7	636.2836	NA	KEGG	NA	NA
+C09661	Thalsimine	C38H40N2O7	636.2836	NA	KEGG	NA	NA
+PJ010982	CCQKR 	C23H44N10O7S2	636.2836	NA	PeJP	NA	NA
+MJ087656	Allosamidin; 3'-Epimer, 6''-Me ether 	C26H44N4O14	636.285402	NA	MeJP	NA	NA
+MJ087657	Allosamidin; 6''-Me ether 	C26H44N4O14	636.285402	NA	MeJP	NA	NA
+PJ010983	SQQQF 	C27H40N8O10	636.2867	NA	PeJP	NA	NA
+PJ010984	SPDRY 	C27H40N8O10	636.2868	NA	PeJP	NA	NA
+PJ010985	TTEMR 	C24H44N8O10S	636.2901	NA	PeJP	NA	NA
+PJ010986	APTYW 	C32H40N6O8	636.2908	NA	PeJP	NA	NA
+PJ010987	GMHHR 	C25H40N12O6S	636.2915	NA	PeJP	NA	NA
+MJ087658	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,2-Dibenzoyl, 6-(2-methylbutanoyl), 9-Ac 	C36H44O10	636.293447	NA	MeJP	NA	NA
+MJ087659	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 2-(2-methylbutanoyl), 1-Ac 	C36H44O10	636.293447	NA	MeJP	NA	NA
+PJ010988	STLMW 	C29H44N6O8S	636.2941	NA	PeJP	NA	NA
+PJ010989	GGPLMY 	C29H44N6O8S	636.2942	NA	PeJP	NA	NA
+PJ010990	SSTTLE 	C25H44N6O13	636.2966	NA	PeJP	NA	NA
+PJ010991	VTTTTD 	C25H44N6O13	636.2967	NA	PeJP	NA	NA
+PJ010992	VKEMM 	C26H48N6O8S2	636.2975	NA	PeJP	NA	NA
+2709	erythromycin inhibitor	MSMRL	636.2978	NA	Inhouse_peptide	NA	peptide
+PJ010993	GNQRY 	C26H40N10O9	636.298	NA	PeJP	NA	NA
+MJ087660	Weinbersterol A; 2,3-Disulfate 	C30H52O10S2	636.300189	NA	MeJP	NA	NA
+MJ087661	Weinbersterol A; 20-Deoxy, 18-hydroxy, 2,3-disulfate 	C30H52O10S2	636.300189	NA	MeJP	NA	NA
+PJ010994	GSSCKR 	C23H44N10O9S	636.3014	NA	PeJP	NA	NA
+PJ010995	EFRW 	C31H40N8O7	636.302	NA	PeJP	NA	NA
+MJ087662	Reserpic acid; O-[3-(3,4,5-Trimethoxyphenyl)propanoyl], Me ester 	C35H44N2O9	636.304681	NA	MeJP	NA	NA
+PJ010996	APMRY 	C28H44N8O7S	636.3054	NA	PeJP	NA	NA
+2907	neuropeptide from eyestalk of Macrobrachium rosenb	NYDKNFLRFG	636.30585	MH2+	Inhouse_peptide	NA	peptide
+PJ010997	VFWW 	C36H40N6O5	636.306	NA	PeJP	NA	NA
+PJ010998	SSSTQK 	C24H44N8O12	636.3079	NA	PeJP	NA	NA
+PJ010999	SLMMR 	C25H48N8O7S2	636.3088	NA	PeJP	NA	NA
+PJ011000	STHHR 	C25H40N12O8	636.3092	NA	PeJP	NA	NA
+PJ011001	GGGGPHR 	C25H40N12O8	636.3093	NA	PeJP	NA	NA
+PJ011002	PTKEY 	C29H44N6O10	636.3119	NA	PeJP	NA	NA
+MJ087663	3,6,8,12,14-Pentahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside), 6-Ac 	C33H48O12	636.314577	NA	MeJP	NA	NA
+MJ087664	3,6,8,14,16-Pentahydroxybufa-20,22-dienolide, 3-O-(6-Deoxy-3-O-methyl-?-L-glucopyranoside), 6-Ac 	C33H48O12	636.314577	NA	MeJP	NA	NA
+MJ087665	Premyrsinol; 5-(2-Methylpropanoyl), 3-propanoyl, 7,13,17-tri-Ac 	C33H48O12	636.314577	NA	MeJP	NA	NA
+PJ011003	SSSLLM 	C26H48N6O10S	636.3153	NA	PeJP	NA	NA
+PJ011004	PPMHR 	C27H44N10O6S	636.3166	NA	PeJP	NA	NA
+MJ087666	Antioquine, Di-Me ether 	C39H44N2O6	636.319937	NA	MeJP	NA	NA
+MJ087667	Cycleanorine; N2'N2'-Di-Me 	C39H45N2O6(+)	636.319937	NA	MeJP	NA	NA
+MJ087668	Isotetrandrine; N2'-Me 	C39H45N2O6(+)	636.319937	NA	MeJP	NA	NA
+MJ087669	Tetrandrine, N-Me 	C39H45N2O6(+)	636.319937	NA	MeJP	NA	NA
+MJ087670	Tetrandrine, N2-Me 	C39H45N2O6(+)	636.319937	NA	MeJP	NA	NA
+PJ011005	CCKKR 	C24H48N10O6S2	636.32	NA	PeJP	NA	NA
+PJ011006	GLERY 	C28H44N8O9	636.3231	NA	PeJP	NA	NA
+PJ011007	GAAQKY 	C28H44N8O9	636.3232	NA	PeJP	NA	NA
+PJ011008	GSSKKM 	C25H48N8O9S	636.3265	NA	PeJP	NA	NA
+MJ087671	Dichotomin D 	C33H44N6O7	636.327147	NA	MeJP	NA	NA
+PJ011009	GVLYW 	C33H44N6O7	636.3272	NA	PeJP	NA	NA
+PJ011010	PVKMY 	C30H48N6O7S	636.3305	NA	PeJP	NA	NA
+PJ011011	GGLLMF 	C30H48N6O7S	636.3306	NA	PeJP	NA	NA
+PJ011012	TTTTTL 	C26H48N6O12	636.333	NA	PeJP	NA	NA
+PJ011013	GNKRY 	C27H44N10O8	636.3344	NA	PeJP	NA	NA
+PJ011014	LRYW 	C32H44N8O6	636.3384	NA	PeJP	NA	NA
+MJ087672	Ansatrienin B; 1'',2''-Didehydro 	C36H48N2O8	636.341066	NA	MeJP	NA	NA
+MJ087673	Ansatrienin B; 20,23-Quinone 	C36H48N2O8	636.341066	NA	MeJP	NA	NA
+MJ087674	Benzoxazomycin 	C36H48N2O8	636.341066	NA	MeJP	NA	NA
+C12098	Ansatrienin A	C36H48N2O8	636.3411	NA	KEGG	NA	NA
+PJ011015	ALMFR 	C29H48N8O6S	636.3418	NA	PeJP	NA	NA
+PJ011016	SSSTKK 	C25H48N8O11	636.3443	NA	PeJP	NA	NA
+PJ011017	CKKKM 	C26H52N8O6S2	636.3451	NA	PeJP	NA	NA
+3813	smooth muscles contracting peptide	YVLSR	636.348	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ011018	VVKEY 	C30H48N6O9	636.3483	NA	PeJP	NA	NA
+MJ087675	Vecuronium (1+); Bromide 	C34H57BrN2O4	636.35017	NA	MeJP	NA	NA
+MJ087676	1,3,7,27-Tetrahydroxywitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H52O11	636.350962	NA	MeJP	NA	NA
+PJ011019	SVLRY 	C29H48N8O8	636.3595	NA	PeJP	NA	NA
+PJ011020	PVKFF 	C34H48N6O6	636.3636	NA	PeJP	NA	NA
+PJ011021	VLKMF 	C31H52N6O6S	636.3669	NA	PeJP	NA	NA
+MJ087677	Nephila clavata Neurotoxin 4 JSTX-4 	C28H48N10O7	636.370743	NA	MeJP	NA	NA
+PJ011022	PQKKH 	C28H48N10O7	636.3708	NA	PeJP	NA	NA
+PJ011023	TLLKY 	C31H52N6O8	636.3847	NA	PeJP	NA	NA
+MJ087678	1,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, O-?-D-Xylopyranosyl ester 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087679	16,23:16,24-Diepoxy-3,6,7,25-cycloartanetetrol, 3-O-?-D-Xylopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087680	2,3,6,23-Tetrahydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087681	3,19,23,24-Tetrahydroxy-12-ursen-28-oic acid, 3-O-?-D-Arabinopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087682	3,23,27,29-Tetrahydroxy-12-oleanen-28-oic acid, ?-L-Arabinopyranosyl ester 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087683	3,5,7,8,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 5,7,8-Tris(2-methylbutanoyl) 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087684	Antibiotic RK 397 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087685	Astralagus alexandrinus Saponin 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087686	Cimigenol; 12?-Hydroxy, 3-O-?-D-xylopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087687	Cimigenol; 12?-Hydroxy, 3-O-?-L-arabinopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087688	Cimigenol; 1?-Hydroxy, 3-O-xylopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087689	Cimigenol; 21-Hydroxy, 3-O-?-D-xylopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087690	Cimigenol; 21-Hydroxy, 3-O-?-L-arabinopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087691	Cimigenol; 7?-Hydroxy, 3-O-?-D-xylopyranoside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+MJ087692	Ochreasteroside 	C35H56O10	636.387348	NA	MeJP	NA	NA
+PJ011024	AKKKY 	C30H52N8O7	636.3959	NA	PeJP	NA	NA
+MJ087693	2,3,27-Trihydroxy-28-ursanoic acid, 27-(4-Hydroxycinnamoyl) 	C39H56O7	636.402604	NA	MeJP	NA	NA
+C13927	Argiotoxin 636	C29H52N10O6	636.4071	NA	KEGG	NA	NA
+C13928	Transferred to D02164	C29H52N10O6	636.4071	NA	KEGG	NA	NA
+MJ087694	Argiopine 	C29H52N10O6	636.407129	NA	MeJP	NA	NA
+PJ011025	VLLHR 	C29H52N10O6	636.4072	NA	PeJP	NA	NA
+PJ011026	PPVVLL 	C32H56N6O7	636.4211	NA	PeJP	NA	NA
+MJ087695	12-Oleanene-3,16,23,28-tetrol, 28-O-?-D-Glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087696	12-Oleanene-3,16,23,28-tetrol, 3-O-?-D-Galactopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087697	20,24-Epoxy-12,25-dihydroxy-3,4-secodammar-4(28)-en-3-oic acid, 12-O-6-Deoxy-?-D-glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087698	22,25-Epoxycycloartane-3,16,24-triol, 3-O-?-D-Glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087699	3,11,16-Trihydroxycycloartan-24-one, 3-O-?-D-Glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087700	3,22,25-Trihydroxylanost-9(11)-en-24-one, 3-O-?-D-Glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087701	3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-?-D-Glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087702	Bafilomycin A1; O21-Me 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087703	Cycloart-24-ene-1,3,16,26-tetrol, 26-O-?-D-Glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087704	Dammar-24-ene-3,6,20,26-tetrol, 3-Ketone, 26-O-?-D-glucopyranoside 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087705	Fasciculic acid B 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MJ087706	Raspacionin; 15-Deacetyl, 10,28-dihydro, 10?-acetoxy, 4-Ac 	C36H60O9	636.423733	NA	MeJP	NA	NA
+MetaCyc04001	soyasapogenol B-3-O-&beta;-glucuronide []	C36H60O9	636.423734	NA	metacyc	NA	NA
+MJ087707	Acacigenin B; 16-Deoxy 	C40H60O6	636.438989	NA	MeJP	NA	NA
+MJ087708	Cryptomeria acetal A 	C40H60O6	636.438989	NA	MeJP	NA	NA
+MJ087709	Mactraxanthin 	C40H60O6	636.438989	NA	MeJP	NA	NA
+MJ087710	Skimmiarepin A; 3-Deacyl, 3-(2Z,4E,6E-decatrienoyl) 	C40H60O6	636.438989	NA	MeJP	NA	NA
+MJ087711	Bullatacinone; 24-Epimer, 9-oxo 	C37H64O8	636.460119	NA	MeJP	NA	NA
+MJ087712	Goniotriocin 	C37H64O8	636.460119	NA	MeJP	NA	NA
+MJ087713	Microcarpacin A; 33-Ketone 	C37H64O8	636.460119	NA	MeJP	NA	NA
+MJ087714	Staphisagnine; 13-De-methoxy 	C43H60N2O2	636.465479	NA	MeJP	NA	NA
+MJ087715	Staphisine 	C43H60N2O2	636.465479	NA	MeJP	NA	NA
+MJ087716	Variabilin, 18-Hexadecanoyl 	C41H64O5	636.475375	NA	MeJP	NA	NA
+HMDB07288	DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07317	DG(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07344	DG(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07345	DG(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07512	DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07541	DG(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07568	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07569	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)	C41H64O5	636.475403	NA	HMDB2010	NA	NA
+HMDB07087	DG(15:0/22:1(13Z)/0:0)	C40H76O5	636.569275	NA	HMDB2010	NA	NA
+HMDB07619	DG(22:1(13Z)/15:0/0:0)	C40H76O5	636.569275	NA	HMDB2010	NA	NA
+MJ087717	12-Oleanen-3-ol, O-Tetradecanoyl 	C44H76O2	636.584531	NA	MeJP	NA	NA
+MJ087718	12-Ursen-3-ol, Tetradecanoyl 	C44H76O2	636.584531	NA	MeJP	NA	NA
+MJ087719	20(29)-Lupen-3-ol, Tetradecanoyl 	C44H76O2	636.584531	NA	MeJP	NA	NA
+MJ087720	Achilleol A; Tetradecanoyl 	C44H76O2	636.584531	NA	MeJP	NA	NA
+MJ087721	Fomentaric acid 	C41H80O4	636.605661	NA	MeJP	NA	NA
+MJ087722	Glycinoprenol 9 	C45H80O	636.620917	NA	MeJP	NA	NA
+MJ087723	Salantel 	C20H11Cl2I2NO3	636.820535	NA	MeJP	NA	NA
+HMDB00693	Heparan sulfate	C14H23NO21S3	636.99249	http://www.hmdb.ca/metabolites/HMDB00693	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00693	Heparan sulfate	C14H23NO21S3	636.99249	http://www.hmdb.ca/metabolites/HMDB00693	HMDB	NA	NA
+HMDB00693	Heparan sulfate	C14H23NO21S3	636.99249	http://www.hmdb.ca/metabolites/HMDB00693	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00693	Heparan sulfate	C14H23NO21S3	636.99249	HMDB00693	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00693	Heparan sulfate	C14H23NO21S3	636.992493	NA	HMDB2010	NA	NA
+C16290	Delphinidin 3-O-3'',6''-O-dimalonylglucoside	C27H25O18	637.1041	NA	KEGG	NA	NA
+MJ087724	Dibenzothioline 	C31H31N3O8S2	637.155256	NA	MeJP	NA	NA
+PJ011027	GCNDDD 	C21H31N7O14S	637.165	NA	PeJP	NA	NA
+PJ011028	CCCFY 	C27H35N5O7S3	637.1699	NA	PeJP	NA	NA
+FL7AAAGL0022	Pelargonidin 3-(6''-acetylglucoside)-5-glucoside	C29H33O16	637.17686	-	knapsack	NA	NA
+FL7AAAGL0023	Pelargonidin 3-glucoside-5-(6''-acetylglucoside)	C29H33O16	637.17686	170660-30-7	knapsack	NA	NA
+FL7AACGL0038	Cyanidin 3-(4'''-acetylrutinoside)	C29H33O16	637.17686	119514-09-9	knapsack	NA	NA
+FL7AACGL0110	Cyanidin-3-(2'-acetylrutinoside)	C29H33O16	637.17686	259813-57-5	knapsack	NA	NA
+FL7DACGS0005	Luteolinidin 5-(3-glucoside-2-acetylglucoside)	C29H33O16	637.17686	347861-61-4	knapsack	NA	NA
+MJ087725	Chrymutin; O-[?-D-Fucopyranosyl-(1?2)-?-D-fucopyranoside] 	C32H31NO13	637.17954	NA	MeJP	NA	NA
+PJ011029	SPCCND 	C22H35N7O11S2	637.1836	NA	PeJP	NA	NA
+PJ011030	SCCYY 	C27H35N5O9S2	637.1876	NA	PeJP	NA	NA
+PJ011031	DDEEM 	C23H35N5O14S	637.1901	NA	PeJP	NA	NA
+PJ011032	GCCNNQ 	C21H35N9O10S2	637.1949	NA	PeJP	NA	NA
+PJ011033	CCEHF 	C26H35N7O8S2	637.1989	NA	PeJP	NA	NA
+PJ011034	GSNDDM 	C22H35N7O13S	637.2014	NA	PeJP	NA	NA
+PJ011035	APCCNM 	C23H39N7O8S3	637.2022	NA	PeJP	NA	NA
+PJ011036	GPCCQM 	C23H39N7O8S3	637.2023	NA	PeJP	NA	NA
+PJ011037	DDDHH 	C24H31N9O12	637.2092	NA	PeJP	NA	NA
+PJ011038	SSCNNN 	C21H35N9O12S	637.2126	NA	PeJP	NA	NA
+PJ011039	GPCCCR 	C22H39N9O7S3	637.2135	NA	PeJP	NA	NA
+PJ011040	SCNEW 	C26H35N7O10S	637.2166	NA	PeJP	NA	NA
+PJ011041	SSSNDE 	C22H35N7O15	637.2191	NA	PeJP	NA	NA
+PJ011042	NNEMM 	C23H39N7O10S2	637.22	NA	PeJP	NA	NA
+MJ087726	2-[[[4-[[2-Butyl-6-[[(methylamino)carbonyl]pentylamino]-1H-benzimidazol-1-yl]methyl]phenyl]amino]carbonyl]-3,6-dichlorobenzoic acid 	C33H37Cl2N5O4	637.22226	NA	MeJP	NA	NA
+PJ011043	PDDEY 	C27H35N5O13	637.2232	NA	PeJP	NA	NA
+PJ011044	TEEEM 	C24H39N5O13S	637.2265	NA	PeJP	NA	NA
+PJ011045	PEMMM 	C25H43N5O8S3	637.2274	NA	PeJP	NA	NA
+PJ011046	CNDMR 	C22H39N9O9S2	637.2312	NA	PeJP	NA	NA
+PJ011047	GGCDMR 	C22H39N9O9S2	637.2313	NA	PeJP	NA	NA
+PJ011048	GSCWW 	C30H35N7O7S	637.2319	NA	PeJP	NA	NA
+PJ011049	GSSSDW 	C26H35N7O12	637.2344	NA	PeJP	NA	NA
+PJ011050	GNMMW 	C27H39N7O7S2	637.2353	NA	PeJP	NA	NA
+MJ087727	Alangiside; 6'-O-?-D-Xylopyranosyl 	C30H39NO14	637.237054	NA	MeJP	NA	NA
+PJ011051	GSSQEM 	C23H39N7O12S	637.2378	NA	PeJP	NA	NA
+PJ011052	GPCCKM 	C24H43N7O7S3	637.2386	NA	PeJP	NA	NA
+PJ011053	CNQHH 	C24H35N11O8S	637.2391	NA	PeJP	NA	NA
+PJ011054	PDEMF 	C28H39N5O10S	637.2418	NA	PeJP	NA	NA
+PJ011055	VEEMM 	C25H43N5O10S2	637.2452	NA	PeJP	NA	NA
+PJ011056	NNNNY 	C25H35N9O11	637.2456	NA	PeJP	NA	NA
+PJ011057	GGGGGGGGY 	C25H35N9O11	637.2457	NA	PeJP	NA	NA
+PJ011058	ACCRW 	C26H39N9O6S2	637.2465	NA	PeJP	NA	NA
+PJ011059	GSSCER 	C22H39N9O11S	637.249	NA	PeJP	NA	NA
+PJ011060	GNDFW 	C30H35N7O9	637.2497	NA	PeJP	NA	NA
+MJ087728	1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-cinnamoyl, 2,3-di-Ac 	C34H39NO11	637.252311	NA	MeJP	NA	NA
+MJ087729	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-benzoyl, 1,6,14-tri-Ac 	C34H39NO11	637.252311	NA	MeJP	NA	NA
+MJ087730	1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(2-Pyridinecarbonyl), 9-benzoyl, 1,2,8-tri-Ac 	C34H39NO11	637.252311	NA	MeJP	NA	NA
+MJ087731	1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 9-benzoyl, 1,2,8-tri-Ac 	C34H39NO11	637.252311	NA	MeJP	NA	NA
+MJ087732	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarboxyl), 6-benzoyl, tri-Ac 	C34H39NO11	637.252311	NA	MeJP	NA	NA
+MJ087733	1,6,8,9,14-Pentahydroxydihydro-?-agarofuran, 3-Pyridinecarbonyl, benzoyl, tri-Ac 	C34H39NO11	637.252311	NA	MeJP	NA	NA
+PJ011061	SSQMW 	C27H39N7O9S	637.253	NA	PeJP	NA	NA
+PJ011062	SSSTQE 	C23H39N7O14	637.2555	NA	PeJP	NA	NA
+PJ011063	NDKMM 	C24H43N7O9S2	637.2564	NA	PeJP	NA	NA
+PJ011064	GSSNHH 	C24H35N11O10	637.2569	NA	PeJP	NA	NA
+PJ011065	PTEEY 	C28H39N5O12	637.2595	NA	PeJP	NA	NA
+PJ011066	VDEEF 	C28H39N5O12	637.2596	NA	PeJP	NA	NA
+PJ011067	PPMMY 	C29H43N5O7S2	637.2604	NA	PeJP	NA	NA
+PJ011068	SSCRW 	C26H39N9O8S	637.2642	NA	PeJP	NA	NA
+PJ011069	VDMHH 	C26H39N9O8S	637.2643	NA	PeJP	NA	NA
+PJ011070	SSSSDR 	C22H39N9O13	637.2668	NA	PeJP	NA	NA
+PJ011071	SNMMR 	C23H43N9O8S2	637.2676	NA	PeJP	NA	NA
+PJ011072	GMHFF 	C31H39N7O6S	637.2683	NA	PeJP	NA	NA
+PJ011073	GSSTTW 	C27H39N7O11	637.2708	NA	PeJP	NA	NA
+PJ011074	ACKMW 	C28H43N7O6S2	637.2716	NA	PeJP	NA	NA
+PJ011075	GTTTQM 	C24H43N7O11S	637.2741	NA	PeJP	NA	NA
+PJ011076	GSSKEM 	C24H43N7O11S	637.2742	NA	PeJP	NA	NA
+PJ011077	PPDFY 	C32H39N5O9	637.2748	NA	PeJP	NA	NA
+PJ011078	CNKHH 	C25H39N11O7S	637.2755	NA	PeJP	NA	NA
+7884	peptide from myosin heavy chain, pork muscles	VPSIDDQEELM	637.2781	MH2+	Inhouse_peptide	NA	peptide
+PJ011079	PVEMY 	C29H43N5O9S	637.2782	NA	PeJP	NA	NA
+PJ011080	TCCRR 	C22H43N11O7S2	637.2789	NA	PeJP	NA	NA
+PJ011081	GNERY 	C26H39N9O10	637.282	NA	PeJP	NA	NA
+PJ011082	AHHHH 	C27H35N13O6	637.2834	NA	PeJP	NA	NA
+PJ011083	GSSTMR 	C23H43N9O10S	637.2854	NA	PeJP	NA	NA
+PJ011084	AAQYW 	C31H39N7O8	637.286	NA	PeJP	NA	NA
+MJ087734	Myrsinol; 7-(3-Pyridinecarbonyl), 3-butanoyl, 5-propanoyl, 15-Ac 	C35H43NO10	637.288696	NA	MeJP	NA	NA
+MJ087735	Myrsinol; 7-(3-Pyridinecarbonyl), 5-butanoyl, 3-propanoyl, 15-Ac 	C35H43NO10	637.288696	NA	MeJP	NA	NA
+MJ087736	Rifamycin W; 8,23-Dideoxy, 23-oxo 	C35H43NO10	637.288696	NA	MeJP	NA	NA
+PJ011085	SSKMW 	C28H43N7O8S	637.2894	NA	PeJP	NA	NA
+PJ011086	SSSTKE 	C24H43N7O13	637.2919	NA	PeJP	NA	NA
+PJ011087	TQKMM 	C25H47N7O8S2	637.2928	NA	PeJP	NA	NA
+PJ011088	PNDHR 	C25H39N11O9	637.2932	NA	PeJP	NA	NA
+PJ011089	GGPDHR 	C25H39N11O9	637.2933	NA	PeJP	NA	NA
+PJ011090	PPMFF 	C33H43N5O6S	637.2934	NA	PeJP	NA	NA
+PJ011091	VVEEY 	C29H43N5O11	637.2959	NA	PeJP	NA	NA
+PJ011092	PLMMF 	C30H47N5O6S2	637.2968	NA	PeJP	NA	NA
+PJ011093	NRYW 	C30H39N9O7	637.2973	NA	PeJP	NA	NA
+PJ011094	LLMMM 	C27H51N5O6S3	637.3002	NA	PeJP	NA	NA
+PJ011095	GQMFR 	C27H43N9O7S	637.3006	NA	PeJP	NA	NA
+PJ011096	GGAMFR 	C27H43N9O7S	637.3007	NA	PeJP	NA	NA
+PJ011097	SSSTTR 	C23H43N9O12	637.3031	NA	PeJP	NA	NA
+7814	ACE inhibitor from chickpea legumin	MDFLI	637.3033	antibacterial	Inhouse_peptide	NA	peptide
+PJ011098	TCKMR 	C24H47N9O7S2	637.304	NA	PeJP	NA	NA
+PJ011099	AQKEY 	C28H43N7O10	637.3072	NA	PeJP	NA	NA
+PJ011100	GTTTKM 	C25H47N7O10S	637.3105	NA	PeJP	NA	NA
+PJ011101	PPVYY 	C33H43N5O8	637.3112	NA	PeJP	NA	NA
+PJ011102	GCFRR 	C26H43N11O6S	637.3119	NA	PeJP	NA	NA
+PJ011103	VLEMF 	C30H47N5O8S	637.3146	NA	PeJP	NA	NA
+PJ011104	GDKRY 	C27H43N9O9	637.3184	NA	PeJP	NA	NA
+PJ011105	AAKYW 	C32H43N7O7	637.3224	NA	PeJP	NA	NA
+MJ087737	Milbemycin ?1; 26-(2-Pyrrolylcarbonyloxy) 	C36H47NO9	637.325082	NA	MeJP	NA	NA
+MJ087738	Protostreptovaricin I 	C36H47NO9	637.325082	NA	MeJP	NA	NA
+PJ011106	PCKKY 	C29H47N7O7S	637.3258	NA	PeJP	NA	NA
+PJ011107	STTTTK 	C25H47N7O12	637.3283	NA	PeJP	NA	NA
+PJ011108	TKKMM 	C26H51N7O7S2	637.3292	NA	PeJP	NA	NA
+PJ011109	GSRRY 	C26H43N11O8	637.3296	NA	PeJP	NA	NA
+PJ011110	TLLEY 	C30H47N5O10	637.3323	NA	PeJP	NA	NA
+PJ011111	APKHW 	C31H43N9O6	637.3337	NA	PeJP	NA	NA
+PJ011112	GKMFR 	C28H47N9O6S	637.337	NA	PeJP	NA	NA
+PJ011113	AKKEY 	C29H47N7O9	637.3435	NA	PeJP	NA	NA
+PJ011114	GAVTKY 	C29H47N7O9	637.3436	NA	PeJP	NA	NA
+PJ011115	PVLFY 	C34H47N5O7	637.3476	NA	PeJP	NA	NA
+PJ011116	VLLMY 	C31H51N5O7S	637.3509	NA	PeJP	NA	NA
+PJ011117	ATKRY 	C28H47N9O8	637.3548	NA	PeJP	NA	NA
+MJ087739	4(20),11-Taxadiene-5,9,10,13-tetrol, 5-(3-Dimethylamino-3-phenylpropanoyl), 9,10,13-tri-Ac 	C37H51NO8	637.361467	NA	MeJP	NA	NA
+PJ011118	CLKKF 	C30H51N7O6S	637.3622	NA	PeJP	NA	NA
+PJ011119	PTKHR 	C27H47N11O7	637.366	NA	PeJP	NA	NA
+MJ087740	Destruxin D; Destruxin D1 	C31H51N5O9	637.368678	NA	MeJP	NA	NA
+PJ011120	GLHRR 	C26H47N13O6	637.3773	NA	PeJP	NA	NA
+2643	synthetic fr,of human beta-CN, ACE inhibitor	PVRAVP	637.378	NA	Inhouse_peptide	NA	peptide
+PJ011121	SLKKY 	C30H51N7O8	637.3799	NA	PeJP	NA	NA
+PJ011122	GAAPPLL 	C30H51N7O8	637.38	NA	PeJP	NA	NA
+MJ087741	Rosamicin; 2'-Propanoyl 	C34H55NO10	637.382596	NA	MeJP	NA	NA
+PJ011123	VLLFF 	C35H51N5O6	637.384	NA	PeJP	NA	NA
+MJ087742	Cystodytins; Cystodytin A, 1'-(9-Octadecenoyloxy) 	C40H51N3O4	637.387957	NA	MeJP	NA	NA
+MJ087743	Cystodytins; Cystodytin B, 1'-(9-Octadecenoyloxy) 	C40H51N3O4	637.387957	NA	MeJP	NA	NA
+PJ011124	GPPVLR 	C29H51N9O7	637.3912	NA	PeJP	NA	NA
+MJ087744	Rosamicin; 20-(Acetylhydrazone) 	C33H55N3O9	637.39383	NA	MeJP	NA	NA
+MJ087745	3,16,21,23-Tetrahydroxy-12-oxo-30-oleananal, 21-(2-Methylaminobenzoyl) 	C38H55NO7	637.397853	NA	MeJP	NA	NA
+PJ011125	PPLRR 	C28H51N11O6	637.4024	NA	PeJP	NA	NA
+PJ011126	APPLLK 	C31H55N7O7	637.4163	NA	PeJP	NA	NA
+MJ087746	Myxovirescin A; Myxovirescin A1, 5-Oxo 	C35H59NO9	637.418982	NA	MeJP	NA	NA
+PJ011127	LLKKH 	C30H55N9O6	637.4276	NA	PeJP	NA	NA
+EUR778	Lyso PC 22:1 [M-H+acetate]-	C30H60NO7P	637.431842	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR778	Lyso PC 22:1 [M-H+acetate]-	C30H60NO7P	637.431842	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR778	Lyso PC 22:1 [M-H+acetate]-	C30H60NO7P	637.431842	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR778	Lyso PC 22:1 [M-H+acetate]-	C30H60NO7P	637.431842	masses lipides attendues	Inhousejuil11	NA	NA
+MJ087747	Isariin 	C33H59N5O7	637.441449	NA	MeJP	NA	NA
+C18137	2,2',4,4',5,5'-Hexabromodiphenyl ether	C12H4Br6O	637.5362	NA	KEGG	NA	NA
+C18138	2,2',4,4',5,6'-Hexabromodiphenyl ether	C12H4Br6O	637.5362	NA	KEGG	NA	NA
+MJ087748	Variceramides; Variceramide 2 	C40H79NO4	637.60091	NA	MeJP	NA	NA
+HMDB11767	Cer(d18:0/23:0)	C41H83NO3	637.637268	NA	HMDB2010	NA	NA
+MJ087749	KP 736 	C21H18N8O8S4	638.013042	NA	MeJP	NA	NA
+MJ087750	Beticolin 2 	C31H23ClO13	638.082718	NA	MeJP	NA	NA
+MJ087751	Cebetin A 	C31H23ClO13	638.082718	NA	MeJP	NA	NA
+MJ087752	Pentafuhalol A; 4'''-Deoxy 	C30H22O16	638.090783999999	NA	MeJP	NA	NA
+MJ087753	Pentaisofuhalol 	C30H22O16	638.090783999999	NA	MeJP	NA	NA
+C12632	Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]	C27H26O18	638.1119	NA	KEGG	NA	NA
+FL3FACGS0028	Luteolin 7-glucuronosyl-(1->2)-glucuronide	C27H26O18	638.11191	96400-45-2	knapsack	NA	NA
+FL3FACGS0032	Luteolin 7,3'-diglucuronide	C27H26O18	638.11191	53965-08-5	knapsack	NA	NA
+FL3FACGS0033	Luteolin 7,3'-digalacturonide	C27H26O18	638.11191	56317-13-6	knapsack	NA	NA
+FL3FACGS0038	Luteolin 7,4'-diglucuronide	C27H26O18	638.11191	53965-09-6	knapsack	NA	NA
+FL3FACGS0041	Luteolin 3',4'-diglucuronide	C27H26O18	638.11191	53527-41-6	knapsack	NA	NA
+FL3FACGS0042	Luteolin 3',4'-digalacturonide	C27H26O18	638.11191	56317-14-7	knapsack	NA	NA
+FL3FEAGS0030	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide;Scutellarein 7-glucuronosyl-(1->2)-glucuronide;5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-Glucopyranosiduronic acid	C27H26O18	638.11191	150641-65-9	knapsack	NA	NA
+MJ087754	3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-?-D-glucuronopyranoside 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087755	3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-galacturonoside 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087756	3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-?-D-glucuronopyranoside 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087757	3',4',5,7-Tetrahydroxyflavone; 3',7-Di-O-galacturonoside 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087758	3',4',5,7-Tetrahydroxyflavone; 4',7-Di-O-?-D-glucuronopyranoside 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087759	4',5,6,7-Tetrahydroxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087760	Chesnatin 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MJ087761	Isochesnatin 	C27H26O18	638.111914	NA	MeJP	NA	NA
+MetaCyc04002	luteolin 7-O-&beta;-D-diglucuronide [luteolin 7-O-[&beta;-D-glucuronosyl-(1->2)-&beta;-D-glucuronide];]	C27H26O18	638.111914	NA	metacyc	NA	NA
+MJ087762	4',5,6,7-Tetrahydroxyflavone; 6-O-(4-Hydroxy-3-methoxycinnamoyl), 7-O-?-D-glucuronopyranoside 	C31H26O15	638.12717	NA	MeJP	NA	NA
+FL3FEAGN0001	Scutellarein 7-glucuronide-6-ferulate	C31H26O15	638.12717	97165-28-1	knapsack	NA	NA
+MJ087763	Beccapolydione 	C37H22N2O9	638.13253	NA	MeJP	NA	NA
+MJ087764	Fodipir 	C22H32N4O14P2	638.139024	NA	MeJP	NA	NA
+PJ011128	ACCCCH 	C21H34N8O7S4	638.1434	NA	PeJP	NA	NA
+FL3FALGS0006	Isoetin 7-glucoside-2'-(4''-acetylxyloside)	C28H30O17	638.14829	134981-98-9	knapsack	NA	NA
+FL5FABGS0008	Kaempferide 5-glucoside-7-glucuronide	C28H30O17	638.14829	106327-65-5	knapsack	NA	NA
+FL5FFAGS0020	Herbacetin 7-(6''-quinoylglucoside)	C28H30O17	638.14829	95262-52-5	knapsack	NA	NA
+MJ087765	2',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside, 2'-O-(4-O-acetyl-?-D-xylopyranoside) 	C28H30O17	638.148299	NA	MeJP	NA	NA
+MJ087766	3,4',5,7,8-Pentahydroxyflavone; 7-O-[1,3,4,5-Tetrahydroxycyclohexanecarbonyl-(?6)-?-D-glucopyranoside] 	C28H30O17	638.148299	NA	MeJP	NA	NA
+MJ087767	3,5,7-Trihydroxy-4'-methoxyflavone; 5-O-?-D-Glucopyranoside, 7-O-?-D-glucuronopyranoside 	C28H30O17	638.148299	NA	MeJP	NA	NA
+MJ087768	Ellagic acid; 2,3-Di-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H30O17	638.148299	NA	MeJP	NA	NA
+MJ087769	Ellagic acid; 2,7-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C28H30O17	638.148299	NA	MeJP	NA	NA
+MJ087770	Ellagic acid; 3,8-Di-Me ether, 2-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H30O17	638.148299	NA	MeJP	NA	NA
+MJ087771	Hyperin; 7-O-?-Arabinopyranoside, 2''-Ac 	C28H30O17	638.148299	NA	MeJP	NA	NA
+PJ011129	GCDDDD 	C21H30N6O15S	638.149	NA	PeJP	NA	NA
+PJ011130	SSCCCH 	C21H34N8O9S3	638.1611	NA	PeJP	NA	NA
+FL1C3CGS0005	Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside)	C32H30O14	638.16355	118853-83-1	knapsack	NA	NA
+FL3FADCS0024	Isoscoparin 2''-O-ferulate	C32H30O14	638.16355	-	knapsack	NA	NA
+MJ087772	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[4-Hydroxycinnamoyl-(?6)-4-O-acetyl-?-D-glucopyranoside] 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087773	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 4'',4'''-Di-Me ether 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087774	Ergochromes; Ergochrome A ent-B 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087775	Ergochromes; Ergochrome AA 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087776	Ergochromes; Ergochrome AB 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087777	Ergochromes; Ergochrome BB 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087778	Ergochromes; Ergochrome BE 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087779	Ergochromes; Ergochrome EE 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087780	Ergochromes; Ergochrome ent-B, ent-B 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087781	Itabishilin 	C32H30O14	638.163555	NA	MeJP	NA	NA
+MJ087782	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C32H31O14(+)	638.163555	NA	MeJP	NA	NA
+PJ011131	SPCCDD 	C22H34N6O12S2	638.1676	NA	PeJP	NA	NA
+MJ087783	1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-(6-Deoxy-?-D-glucopyranoside) 	C36H30O11	638.178811	NA	MeJP	NA	NA
+MJ087784	1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-(6-Deoxy-?-D-gulopyranoside) 	C36H30O11	638.178811	NA	MeJP	NA	NA
+MJ087785	1,1',8,8'-Tetrahydroxy-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione; 10'-C-?-L-Rhamnopyranosyl 	C36H30O11	638.178811	NA	MeJP	NA	NA
+MJ087786	Julichrome Q5.6 	C36H30O11	638.178811	NA	MeJP	NA	NA
+PJ011132	GCCNNE 	C21H34N8O11S2	638.1789	NA	PeJP	NA	NA
+FL3FAIGS0004	Tricin 7-neohesperidoside	C29H34O16	638.18468	53766-40-8	knapsack	NA	NA
+FL3FAIGS0008	Tricin 7-rutinoside	C29H34O16	638.18468	50816-55-2	knapsack	NA	NA
+FL3FEAGS0017	Scutellarein 7,4'-dimethyl ether 6-sophoroside	C29H34O16	638.18468	57498-68-7	knapsack	NA	NA
+FL3FECGS0031	6-Hydroxyluteolin 6,4'-dimethyl ether 7-rutinoside	C29H34O16	638.18468	76633-80-2	knapsack	NA	NA
+FL3FECGS0052	6-Hydroxyluteolin 6,3'-dimethyl eter 7-rutinoside	C29H34O16	638.18468	-	knapsack	NA	NA
+FL5F1GGS0003	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside;3-[(4-O-beta-D-Galactopyranosyl-beta-D-xylopyranosyl)oxy]-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C29H34O16	638.18468	476644-81-2	knapsack	NA	NA
+FL5FAFGL0001	Dillenetin 3-neohesperidoside;Quercetin 3',4'-dimethyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C29H34O16	638.18468	160809-60-9	knapsack	NA	NA
+FL5FAFGL0002	Dillenetin 3-rutinoside	C29H34O16	638.18468	72945-42-7	knapsack	NA	NA
+FL5FCDGL0002	Rhamnazin 3-rutinoside	C29H34O16	638.18468	64527-08-8	knapsack	NA	NA
+FL5FCEGL0002	Ombuin 3-neohesperidoside	C29H34O16	638.18468	73427-23-3	knapsack	NA	NA
+FL5FCEGL0003	Ombuoside	C29H34O16	638.18468	20188-85-6	knapsack	NA	NA
+FL5FDAGS0007	Quercetin 3,7-dimethyl ether 3'-neohesperidoside;2-[3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C29H34O16	638.18468	209532-52-5	knapsack	NA	NA
+FL5FDDGS0003	Quercetin 3,3'-dimethyl ether 7-rutinoside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one	C29H34O16	638.18468	211292-70-5	knapsack	NA	NA
+FLIAEAGS0006	7-O-Methyltectorigenin 4'-O-gentiobioside	C29H34O16	638.18468	68418-92-8	knapsack	NA	NA
+MJ087787	1,2,4,5-Tetrahydroxy-7-methylanthraquinone; 2,5-Di-Me ether, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087788	1,3,6,8-Tetrahydroxy-2-methylanthraquinone; 6,8-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087789	3',5,7-Trihydroxy-3,4'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087790	3',5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-Rutinoside 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087791	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 3'-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087792	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Neohesperidoside 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087793	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Rutinoside 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087794	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087795	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-(Galactosylrhamnoside) 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087796	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087797	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087798	4',5,6,7-Tetrahydroxyisoflavone; 6,7-Di-Me ether, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087799	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087800	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087801	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087802	4',5,7-Trihydroxy-3,3'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087803	5,6-Dihydroxy-4',7-dimethoxyflavone; 6-O-Sophoroside 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087804	Campneoside I; O?-De-Me, ?-ketone 	C29H34O16	638.184685	NA	MeJP	NA	NA
+MJ087805	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H35O16(+)	638.184685	NA	MeJP	NA	NA
+MJ087806	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C29H35O16(+)	638.184685	NA	MeJP	NA	NA
+MJ087807	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-L-Rhamnopyranoside, 5-O-?-D-glucopyranoside 	C29H35O16(+)	638.184685	NA	MeJP	NA	NA
+MJ087808	3,4',5-Trihydroxy-3',7-dimethoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside 	C29H35O16(+)	638.184685	NA	MeJP	NA	NA
+PJ011133	GSDDDM 	C22H34N6O14S	638.1854	NA	PeJP	NA	NA
+PJ011134	GPCCEM 	C23H38N6O9S3	638.1863	NA	PeJP	NA	NA
+MJ087809	Glycobismine D 	C35H30N2O10	638.190045	NA	MeJP	NA	NA
+PJ011135	CCNNW 	C25H34N8O8S2	638.1941	NA	PeJP	NA	NA
+PJ011136	SSCNND 	C21H34N8O13S	638.1966	NA	PeJP	NA	NA
+MJ087810	Rutaevin; O-(3,4,5-Trihydroxybenzoyl) 	C33H34O13	638.199941	NA	MeJP	NA	NA
+PJ011137	SCDEW 	C26H34N6O11S	638.2006	NA	PeJP	NA	NA
+PJ011138	PCCMW 	C27H38N6O6S3	638.2015	NA	PeJP	NA	NA
+PJ011139	SSSDDE 	C22H34N6O16	638.2031	NA	PeJP	NA	NA
+PJ011140	NDEMM 	C23H38N6O11S2	638.204	NA	PeJP	NA	NA
+MJ087811	3,6-Dihydroxypregn-9(11)-en-20-one, 6-O-(6-Deoxy-4-O-sulfo-?-D-glucopyranoside), 3-O-sulfate 	C27H42O13S2	638.206682	NA	MeJP	NA	NA
+MJ087812	Adriamycin; 3'-Deamino, 3'-(3-cyanomorpholinyl) 	C32H34N2O12	638.211174	NA	MeJP	NA	NA
+PJ011141	CDDMR 	C22H38N8O10S2	638.2153	NA	PeJP	NA	NA
+MJ087813	Nikkomycin JT 	C26H34N6O13	638.218385	NA	MeJP	NA	NA
+PJ011142	NDDEF 	C26H34N6O13	638.2184	NA	PeJP	NA	NA
+PJ011143	GDMMW 	C27H38N6O8S2	638.2193	NA	PeJP	NA	NA
+MJ087814	11,20-Epoxy-2,8,9,12,13,14,16-heptahydroxy-3,5-briaradien-18,7-olide; 9,12,13,14,16-Penta-Ac 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087815	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxycinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087816	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087817	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087818	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxycinnamoyl-(?6)]-?-D-glucopyranoside] 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087819	4',5,7-Trihydroxy-6,8-dimethylflavanone, 4'-Me ether, 7-O-[?-D-glucopyranosyl-(1??)-?-D-glucpyranoside] 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087820	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxycinnamoyl-(?2)-?-L-rhamnopyranoside] 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087821	Azadirachtin; O1-Detigloyl 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087822	Catalpol; 10-O-E-Cinnamoyl, 6-O-?-L-rhamnopyranoside 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087823	Catalpol; 6-O-(2-O-E-Cinnamoyl-?-L-rhamnopyranoside) 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087824	Catalpol; 6-O-(3-O-E-Cinnamoyl-?-L-rhamnopyranoside) 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087825	Catalpol; 6-O-(4-O-E-Cinnamoyl-?-L-rhamnopyranoside) 	C30H38O15	638.22107	NA	MeJP	NA	NA
+MJ087826	Eukovoside 	C30H38O15	638.22107	NA	MeJP	NA	NA
+FL2FALGS0003	4'-Hydroxy-5,7,2'-trimethoxyflavanone 4'-rhamnosyl-(1->6)-glucoside	C30H38O15	638.22107	343254-00-2	knapsack	NA	NA
+PJ011144	GSSEEM 	C23H38N6O13S	638.2218	NA	PeJP	NA	NA
+PJ011145	ASPCMM 	C24H42N6O8S3	638.2226	NA	PeJP	NA	NA
+PJ011146	GPTCMM 	C24H42N6O8S3	638.2227	NA	PeJP	NA	NA
+PJ011147	CNEHH 	C24H34N10O9S	638.2231	NA	PeJP	NA	NA
+MJ087827	Grossamide; 2-Epimer, 2'''-oxo 	C36H34N2O9	638.22643	NA	MeJP	NA	NA
+PJ011148	GSCCNR 	C21H38N10O9S2	638.2265	NA	PeJP	NA	NA
+PJ011149	NNNDY 	C25H34N8O12	638.2296	NA	PeJP	NA	NA
+PJ011150	GGGGNDY 	C25H34N8O12	638.2297	NA	PeJP	NA	NA
+PJ011151	SSSNNM 	C22H38N8O12S	638.233	NA	PeJP	NA	NA
+PJ011152	GDDFW 	C30H34N6O10	638.2337	NA	PeJP	NA	NA
+PJ011153	SSEMW 	C27H38N6O10S	638.237	NA	PeJP	NA	NA
+PJ011154	GCHHW 	C28H34N10O6S	638.2384	NA	PeJP	NA	NA
+PJ011155	SSSTEE 	C23H38N6O15	638.2395	NA	PeJP	NA	NA
+PJ011156	TQEMM 	C24H42N6O10S2	638.2404	NA	PeJP	NA	NA
+PJ011157	GSSDHH 	C24H34N10O11	638.2409	NA	PeJP	NA	NA
+PJ011158	MYYY 	C32H38N4O8S	638.241	NA	PeJP	NA	NA
+MJ087828	Kanokoside A; 10-O-?-D-Glucopyranoside 	C27H42O17	638.242199	NA	MeJP	NA	NA
+C17430	Kanokoside C	C27H42O17	638.2422	NA	KEGG	NA	NA
+MJ087829	1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 9,14-Bis(3-pyridinecarbonyl), 1,2,8-tri-Ac 	C33H38N2O11	638.24756	NA	MeJP	NA	NA
+PJ011159	NNNMF 	C26H38N8O9S	638.2483	NA	PeJP	NA	NA
+PJ011160	GSSSSSQ 	C22H38N8O14	638.2508	NA	PeJP	NA	NA
+PJ011161	SDMMR 	C23H42N8O9S2	638.2516	NA	PeJP	NA	NA
+PJ011162	APCYW 	C31H38N6O7S	638.2523	NA	PeJP	NA	NA
+PJ011163	AQEEY 	C27H38N6O12	638.2548	NA	PeJP	NA	NA
+PJ011164	ATMMW 	C28H42N6O7S2	638.2557	NA	PeJP	NA	NA
+MJ087830	15,16-Epoxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C31H42O14	638.257456	NA	MeJP	NA	NA
+PJ011165	GTTTEM 	C24H42N6O12S	638.2582	NA	PeJP	NA	NA
+PJ011166	VQMMM 	C25H46N6O7S3	638.259	NA	PeJP	NA	NA
+PJ011167	SQMHH 	C25H38N10O8S	638.2595	NA	PeJP	NA	NA
+MJ087831	Secantioquine 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+MJ087832	Secocepharanthine; ?'-Alcohol 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+MJ087833	Secoobaberine, O6-De-Me 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+MJ087834	Secoobaberine, O12'-De-Me 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+MJ087835	Secoobaberine, O7-De-Me 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+MJ087836	Sindamine 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+MJ087837	Tenuipine, O7-De-Me, N2'-oxide(?-) 	C37H38N2O8	638.262816	NA	MeJP	NA	NA
+PJ011168	PPCHW 	C30H38N8O6S	638.2635	NA	PeJP	NA	NA
+PJ011169	GDERY 	C26H38N8O11	638.266	NA	PeJP	NA	NA
+PJ011170	SSSCQK 	C23H42N8O11S	638.2694	NA	PeJP	NA	NA
+PJ011171	AAEYW 	C31H38N6O9	638.27	NA	PeJP	NA	NA
+PJ011172	GVDYW 	C31H38N6O9	638.2701	NA	PeJP	NA	NA
+PJ011173	AMMMR 	C24H46N8O6S3	638.2703	NA	PeJP	NA	NA
+PJ011174	SCHHR 	C24H38N12O7S	638.2707	NA	PeJP	NA	NA
+MJ087838	4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 13-Ketone, 5E-cinnamoyl, 2,9,10-tri-Ac 	C35H42O11	638.272712	NA	MeJP	NA	NA
+MJ087839	Melianolone; 1-Cinnamoyl 	C35H42O11	638.272712	NA	MeJP	NA	NA
+PJ011175	TTTMW 	C28H42N6O9S	638.2734	NA	PeJP	NA	NA
+MJ087840	Haplophytine; 3,4-Dihydro, 6,7-didehydro, N1-de-Me 	C36H38N4O7	638.274049	NA	MeJP	NA	NA
+PJ011176	FFYY 	C36H38N4O7	638.2741	NA	PeJP	NA	NA
+MJ087841	Cryptophycin 18 	C35H43ClN2O7	638.275879	NA	MeJP	NA	NA
+MJ087842	Cryptophycin 4; 6'-Chloro 	C35H43ClN2O7	638.275879	NA	MeJP	NA	NA
+PJ011177	STTTTE 	C24H42N6O14	638.2759	NA	PeJP	NA	NA
+PJ011178	TKEMM 	C25H46N6O9S2	638.2768	NA	PeJP	NA	NA
+PJ011179	PDDHR 	C25H38N10O10	638.2773	NA	PeJP	NA	NA
+PJ011180	DRYW 	C30H38N8O8	638.2813	NA	PeJP	NA	NA
+MJ087843	Alboviolaconitine D 	C34H42N2O10	638.283945	NA	MeJP	NA	NA
+PJ011181	PTCRY 	C27H42N8O8S	638.2846	NA	PeJP	NA	NA
+PJ011182	GEMFR 	C27H42N8O8S	638.2847	NA	PeJP	NA	NA
+PJ011183	TFWW 	C35H38N6O6	638.2853	NA	PeJP	NA	NA
+PJ011184	GSSSSSK 	C23H42N8O13	638.2871	NA	PeJP	NA	NA
+PJ011185	TTMMR 	C24H46N8O8S2	638.288	NA	PeJP	NA	NA
+PJ011186	GVMFW 	C32H42N6O6S	638.2887	NA	PeJP	NA	NA
+PJ011187	AKEEY 	C28H42N6O11	638.2912	NA	PeJP	NA	NA
+PJ011188	AQHHF 	C29H38N10O7	638.2925	NA	PeJP	NA	NA
+MJ087844	11-Taxene-2,5,7,9,10,13,20-heptol, 2,5,7,9,10,13-Hexa-Ac 	C32H46O13	638.293841	NA	MeJP	NA	NA
+MJ087845	11-Taxene-2,5,7,9,10,13,20-heptol, 5,7,9,10,13,20-Hexa-Ac 	C32H46O13	638.293841	NA	MeJP	NA	NA
+PJ011189	SSTTLM 	C25H46N6O11S	638.2945	NA	PeJP	NA	NA
+7902	peptide from bovine b-lactoglobulin	WYSLA	638.295	antioxidative	Inhouse_peptide	NA	peptide
+PJ011190	VKMMM 	C26H50N6O6S3	638.2954	NA	PeJP	NA	NA
+PJ011191	SKMHH 	C26H42N10O7S	638.2959	NA	PeJP	NA	NA
+MJ087846	Calafatine; O7-De-Me 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087847	Cycleanine, N2-Oxide 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087848	Fastrine; 5-Deoxy 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087849	Hernandezine; N'-De-Me 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087850	Herveline C; 8,12'-Di-O-de-Me 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087851	Isotetrandrine; 2'-N-Oxide 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087852	Osornine 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087853	Tetrandrine, N2'-Oxide (?-) 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087854	Tetrandrine, N2-Oxide (?-) 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087855	Tetrandrine, N2'-Oxide (?-) 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087856	Thalfoetidine 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087857	Thalidasine; N2-De-Me 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087858	Thalidezine 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087859	Thalifaberine; 3-Demethoxy, O6',O9-di-de-Me 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087860	Thalisopidine; 5-Me ether 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087861	Thalisopine 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087862	Thalmiculine 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087863	Thalrugosidine 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+MJ087864	Tiliageine; O7-Me, N2-oxide 	C38H42N2O7	638.299201	NA	MeJP	NA	NA
+PJ011192	MFRW 	C31H42N8O5S	638.2999	NA	PeJP	NA	NA
+PJ011193	ATERY 	C27H42N8O10	638.3024	NA	PeJP	NA	NA
+PJ011194	SSSCKK 	C24H46N8O10S	638.3058	NA	PeJP	NA	NA
+PJ011195	GTLYW 	C32H42N6O8	638.3064	NA	PeJP	NA	NA
+MJ087865	Delavayin B; 3-(4-Hydroxyisoleucine) analogue 	C32H42N6O8	638.306412	NA	MeJP	NA	NA
+MJ087866	Stellarin C; 2'-Deoxy 	C32H42N6O8	638.306412	NA	MeJP	NA	NA
+PJ011196	PTKMY 	C29H46N6O8S	638.3098	NA	PeJP	NA	NA
+PJ011197	PTEHR 	C26H42N10O9	638.3136	NA	PeJP	NA	NA
+PJ011198	GGGSPKH 	C26H42N10O9	638.3137	NA	PeJP	NA	NA
+PJ011199	SPLHW 	C31H42N8O7	638.3177	NA	PeJP	NA	NA
+PJ011200	GLMRY 	C28H46N8O7S	638.321	NA	PeJP	NA	NA
+PJ011201	GGCKKF 	C28H46N8O7S	638.3211	NA	PeJP	NA	NA
+PJ011202	AQQHR 	C25H42N12O8	638.3249	NA	PeJP	NA	NA
+2750	ion flow regulating peptide	TSLYR	638.327	antibacterial	Inhouse_peptide	NA	peptide
+PJ011203	SLKEY 	C29H46N6O10	638.3276	NA	PeJP	NA	NA
+PJ011204	AKHHF 	C30H42N10O6	638.3289	NA	PeJP	NA	NA
+PJ011205	PVMHR 	C27H46N10O6S	638.3323	NA	PeJP	NA	NA
+MJ087867	Dauricine; Me ether 	C39H46N2O6	638.335587	NA	MeJP	NA	NA
+MJ087868	Grisabine, Di-Me ether 	C39H46N2O6	638.335587	NA	MeJP	NA	NA
+MJ087869	Pisopowiaridine; 6',12'-Di-Me ether 	C39H46N2O6	638.335587	NA	MeJP	NA	NA
+MJ087870	Thalibrine; Me ether 	C39H46N2O6	638.335587	NA	MeJP	NA	NA
+PJ011206	GNHRR 	C24H42N14O7	638.3361	NA	PeJP	NA	NA
+PJ011207	STLRY 	C28H46N8O9	638.3388	NA	PeJP	NA	NA
+MJ087871	Stephanotic acid 	C33H46N6O7	638.342797	NA	MeJP	NA	NA
+PJ011208	PTKFF 	C33H46N6O7	638.3428	NA	PeJP	NA	NA
+MJ087872	Kraussianin; 21-Epimer, 28-deoxy 	C37H50O9	638.345483	NA	MeJP	NA	NA
+MJ087873	Kraussianin; 28-Deoxy 	C37H50O9	638.345483	NA	MeJP	NA	NA
+C09161	Pimelea factor P2	C37H50O9	638.3455	NA	KEGG	NA	NA
+PJ011209	VVKMY 	C30H50N6O7S	638.3462	NA	PeJP	NA	NA
+PJ011210	VVEHR 	C27H46N10O8	638.35	NA	PeJP	NA	NA
+PJ011211	GGGPPVR 	C27H46N10O8	638.3501	NA	PeJP	NA	NA
+PJ011212	ALLHW 	C32H46N8O6	638.3541	NA	PeJP	NA	NA
+MJ087874	Ansatrienin B 	C36H50N2O8	638.356716	NA	MeJP	NA	NA
+MJ087875	Robigocidin A 	C36H50N2O8	638.356716	NA	MeJP	NA	NA
+PJ011213	PPNRR 	C26H46N12O7	638.3613	NA	PeJP	NA	NA
+PJ011214	APPLLE 	C30H50N6O9	638.364	NA	PeJP	NA	NA
+MJ087876	1,3,11,22-Tetrahydroxyergosta-5,24-dien-26-oic acid, 26-O-?-D-Glucopyranosyl ester 	C34H54O11	638.366612	NA	MeJP	NA	NA
+MJ087877	Fusicoccin D; 12-Ac 	C34H54O11	638.366612	NA	MeJP	NA	NA
+MJ087878	Fusicoccin D; 19-Ac 	C34H54O11	638.366612	NA	MeJP	NA	NA
+MJ087879	Fusicoccin D; 2'-Ac 	C34H54O11	638.366612	NA	MeJP	NA	NA
+MJ087880	Fusicoccin D; 4'-Ac 	C34H54O11	638.366612	NA	MeJP	NA	NA
+PJ011215	LLKEH 	C29H50N8O8	638.3752	NA	PeJP	NA	NA
+PJ011216	VVKFF 	C34H50N6O6	638.3792	NA	PeJP	NA	NA
+MJ087881	1,1'-[(6-Methylheptylidene)bis(3,4-dihydro-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6,6'-diyl)]bis[2-methyl-1-propanone] 	C38H54O8	638.381868	NA	MeJP	NA	NA
+MJ087882	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Octadecatrienoyl, 8-(2-methylbutanoyl) 	C38H54O8	638.381868	NA	MeJP	NA	NA
+MJ087883	Ingenol; 3-(2E,4Z-Tetradecadienoyl), 5,20-di-Ac 	C38H54O8	638.381868	NA	MeJP	NA	NA
+MJ087884	Ingenol; 5-(2E,4Z-Tetradecadienoyl), 3,20-di-Ac 	C38H54O8	638.381868	NA	MeJP	NA	NA
+PJ011217	TLLHR 	C28H50N10O7	638.3864	NA	PeJP	NA	NA
+MJ087885	Octacosamicin B 	C32H54N4O9	638.389079	NA	MeJP	NA	NA
+PJ011218	AKKHR 	C27H50N12O6	638.3977	NA	PeJP	NA	NA
+PJ011219	SPPLLL 	C31H54N6O8	638.4003	NA	PeJP	NA	NA
+MJ087886	Cholest-5-ene-3,7,15,26-tetrol, 7-O-?-D-Galactopyranoside, 26-Ac 	C35H58O10	638.402998	NA	MeJP	NA	NA
+MJ087887	Ergosta-4,22-diene-3,6,8,15,16,26-hexol, 3-O-(2,3-Di-O-methyl-?-D-xylopyranoside) 	C35H58O10	638.402998	NA	MeJP	NA	NA
+MJ087888	Filipin; Filipin II 	C35H58O10	638.402998	NA	MeJP	NA	NA
+MJ087889	Kaimonolide B 	C35H58O10	638.402998	NA	MeJP	NA	NA
+MJ087890	Pregn-5-ene-3,14,20-triol, 3-O-[3-O-Methyl-?-D-fucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C35H58O10	638.402998	NA	MeJP	NA	NA
+PJ011220	GPPLKK 	C30H54N8O7	638.4116	NA	PeJP	NA	NA
+MJ087891	Secamine; 15,15',20,20'-Tetrahydro, 16-decarbomethoxy, 16-hydroxy 	C40H54N4O3	638.419591	NA	MeJP	NA	NA
+PJ011221	VKKKH 	C29H54N10O6	638.4228	NA	PeJP	NA	NA
+MJ087892	Sporidesmolides; Sporidesmolide I 	C33H58N4O8	638.425464	NA	MeJP	NA	NA
+PJ011222	APLLLL 	C32H58N6O7	638.4367	NA	PeJP	NA	NA
+MJ087893	20,24-Epoxydammarane-3,11,25-triol, 3-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087894	3,20,21,28-Lupanetetrol, 3-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087895	Cucurbit-5-ene-3,11,24,25-tetrol, 24-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087896	Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087897	Dammar-24-ene-1,2,3,20-tetrol, 3-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087898	Dammar-24-ene-2,3,12,20-tetrol, 20-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087899	Dammar-24-ene-3,12,20,26-tetrol, 20-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087900	Dammar-24-ene-3,6,12,20-tetrol, 20-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087901	Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087902	Dammar-24-ene-3,6,20,26-tetrol, 26-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087903	Dammar-24-ene-3,6,20,27-tetrol, 20-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087904	Dammar-24-ene-3,7,20,27-tetrol, 20-O-?-D-Glucopyranoside 	C36H62O9	638.439383	NA	MeJP	NA	NA
+MJ087905	9,13-Epoxy-7-labden-15-oic acid, 17-Grindeloxy ester 	C40H62O6	638.454639	NA	MeJP	NA	NA
+MJ087906	Annoglaucin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087907	Annonacin; 4-Ac 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087908	Annonin XIV 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087909	Asimicin; 24-Epimer, 27S-hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087910	Asimicin; 24-Epimer, 28-hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087911	Asimicin; 24-Epimer, 30-hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087912	Asimicin; 24-Epimer, 31S-hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087913	Asimicin; 24-Epimer, 32S-hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087914	Bulladecin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087915	Bullatacinone; 10?-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087916	Bullatacinone; 12?-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087917	Bullatacinone; 24-Epimer, 9R-hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087918	Bullatacinone; 28S-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087919	Bullatacinone; 29?-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087920	Bullatacinone; 30S-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087921	Bullatacinone; 31-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087922	Bullatacinone; 32R-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087923	Bullatalicinone 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087924	Bullatanocin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087925	Bullatetrocin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087926	Espelicin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087927	Gigantecin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087928	Gigantetrocin A; 4-Ac 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087929	Glabracin A 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087930	Glaucanetin; 10?,-Hydroxy 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087931	Microcarpacin A 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087932	Mucocin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087933	Muricatin C 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087934	Panalicin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087935	Purpureacin 2 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087936	Purpurediolin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087937	Purpurenin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087938	Rollidecin A 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087939	Rollimusin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087940	Salzmanin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087941	Squamostatin A 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087942	Sylvaticin 	C37H66O8	638.475769	NA	MeJP	NA	NA
+MJ087943	Uvariasolin I 	C37H66O8	638.475769	NA	MeJP	NA	NA
+C08505	Purpureacin-1	C37H66O8	638.4758	NA	KEGG	NA	NA
+MJ087944	Antibiotic WB 3559A 	C36H66N2O7	638.487002	NA	MeJP	NA	NA
+HMDB07150	DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07259	DG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07286	DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07287	DG(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07315	DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07316	DG(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07342	DG(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07343	DG(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07454	DG(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07483	DG(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07510	DG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07511	DG(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07539	DG(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07540	DG(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07567	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+HMDB07766	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)	C41H66O5	638.491028	NA	HMDB2010	NA	NA
+MetaCyc04003	2-octaprenylphenol []	C46H70O1	638.542667	NA	metacyc	NA	NA
+C05810	2-Octaprenylphenol	C46H70O	638.5427	NA	KEGG	NA	NA
+HMDB11188	TG(12:0/12:0/12:0)	C39H74O6	638.548523	NA	HMDB2010	NA	NA
+MJ087945	Glycerol tridodecanoate 	C39H74O6	638.54854	NA	MeJP	NA	NA
+HMDB07086	DG(15:0/22:0/0:0)	C40H78O5	638.5849	NA	HMDB2010	NA	NA
+HMDB07590	DG(22:0/15:0/0:0)	C40H78O5	638.5849	NA	HMDB2010	NA	NA
+MJ087946	Ergost-5-en-3-ol, Hexadecanoyl 	C44H78O2	638.600181	NA	MeJP	NA	NA
+MJ087947	Bunamiodyl 	C15H16I3NO3	638.826423	NA	MeJP	NA	NA
+MJ087948	Iolidonic acid 	C15H16I3NO3	638.826423	NA	MeJP	NA	NA
+C03246	ADPribose 2'-phosphate	C15H24N5O17P3	639.038	NA	KEGG	NA	NA
+MetaCyc04004	ADP-ribose 2'-phosphate []	C15H24N5O17P3	639.038004	NA	metacyc	NA	NA
+HMDB06336	ADPribose 2'-phosphate	C15H24N5O17P3	639.03802	http://www.hmdb.ca/metabolites/HMDB06336	HMDB	NA	NA
+HMDB06336	ADPribose 2'-phosphate	C15H24N5O17P3	639.03802	HMDB06336	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06336	ADP-ribose 2'-phosphate	C15H24N5O17P3	639.038025	NA	HMDB2010	NA	NA
+PJ011223	GCCNDE 	C21H33N7O12S2	639.1629	NA	PeJP	NA	NA
+FL7AAIGL0012	Malvidin 3-(6''-p-coumarylglucoside)	C32H31O14	639.17138	156577-22-9<BR>158189-28-7	knapsack	NA	NA
+FL7ARXGL0006	Malvidin 3-glucoside-4-vinylguaiacol	C32H31O14	639.17138	388089-40-5	knapsack	NA	NA
+PJ011224	CCNDW 	C25H33N7O9S2	639.1781	NA	PeJP	NA	NA
+PJ011225	GGCCDW 	C25H33N7O9S2	639.1782	NA	PeJP	NA	NA
+PJ011226	SSCNDD 	C21H33N7O14S	639.1806	NA	PeJP	NA	NA
+PJ011227	GGSSCDD 	C21H33N7O14S	639.1807	NA	PeJP	NA	NA
+PJ011228	SPCCCQ 	C22H37N7O9S3	639.1815	NA	PeJP	NA	NA
+PJ011229	DDEMM 	C23H37N5O12S2	639.188	NA	PeJP	NA	NA
+FL7AAIGL0005	Malvidin 3-rutinoside	C29H35O16	639.19251	39824-82-3	knapsack	NA	NA
+FL7AAIGS0004	Malvidin 3-rhamnoside-5-glucoside	C29H35O16	639.19251	53925-29-4	knapsack	NA	NA
+FL7ACDGL0001	Rosinin	C29H35O16	639.19251	20016-74-4	knapsack	NA	NA
+PJ011230	CCMHF 	C26H37N7O6S3	639.1968	NA	PeJP	NA	NA
+PJ011231	GSCNEM 	C22H37N7O11S2	639.1993	NA	PeJP	NA	NA
+PJ011232	DDDEF 	C26H33N5O14	639.2024	NA	PeJP	NA	NA
+PJ011233	CDEHH 	C24H33N9O10S	639.2071	NA	PeJP	NA	NA
+PJ011234	GSCCDR 	C21H37N9O10S2	639.2105	NA	PeJP	NA	NA
+PJ011235	NNDDY 	C25H33N7O13	639.2136	NA	PeJP	NA	NA
+PJ011236	GGNDDY 	C25H33N7O13	639.2137	NA	PeJP	NA	NA
+PJ011237	SCNMW 	C26H37N7O8S2	639.2145	NA	PeJP	NA	NA
+PJ011238	SSSNDM 	C22H37N7O13S	639.217	NA	PeJP	NA	NA
+PJ011239	NNMMM 	C23H41N7O8S3	639.2179	NA	PeJP	NA	NA
+PJ011240	PCEEY 	C27H37N5O11S	639.221	NA	PeJP	NA	NA
+PJ011241	PDDMY 	C27H37N5O11S	639.2211	NA	PeJP	NA	NA
+PJ011242	TEEMM 	C24H41N5O11S2	639.2244	NA	PeJP	NA	NA
+PJ011243	PMMMM 	C25H45N5O6S4	639.2253	NA	PeJP	NA	NA
+PJ011244	CCQMR 	C22H41N9O7S3	639.2291	NA	PeJP	NA	NA
+MJ087949	Barminomycin I 	C33H37NO12	639.231575	NA	MeJP	NA	NA
+PJ011245	GSSTCW 	C26H37N7O10S	639.2323	NA	PeJP	NA	NA
+PJ011246	GSSSSSE 	C22H37N7O15	639.2348	NA	PeJP	NA	NA
+PJ011247	GSSQMM 	C23H41N7O10S2	639.2357	NA	PeJP	NA	NA
+PJ011248	AEEEY 	C27H37N5O13	639.2388	NA	PeJP	NA	NA
+PJ011249	PDMMF 	C28H41N5O8S2	639.2397	NA	PeJP	NA	NA
+PJ011250	CCCRR 	C21H41N11O6S3	639.2404	NA	PeJP	NA	NA
+PJ011251	LDMMM 	C25H45N5O8S3	639.243	NA	PeJP	NA	NA
+PJ011252	VEMMM 	C25H45N5O8S3	639.2431	NA	PeJP	NA	NA
+PJ011253	SEMHH 	C25H37N9O9S	639.2435	NA	PeJP	NA	NA
+PJ011254	GSSCMR 	C22H41N9O9S2	639.2469	NA	PeJP	NA	NA
+PJ011255	GCQFW 	C30H37N7O7S	639.2475	NA	PeJP	NA	NA
+PJ011256	GGACFW 	C30H37N7O7S	639.2476	NA	PeJP	NA	NA
+PJ011257	SSSSSW 	C26H37N7O12	639.25	NA	PeJP	NA	NA
+PJ011258	GGGGTEY 	C26H37N7O12	639.2501	NA	PeJP	NA	NA
+PJ011259	TCCKW 	C27H41N7O7S2	639.2509	NA	PeJP	NA	NA
+MJ087950	[[4'-[[7-Methyl-6-[(1-oxobutyl)amino]-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; Benzyl ester 	C35H37N5O5S	639.25154	NA	MeJP	NA	NA
+PJ011260	SSSTQM 	C23H41N7O12S	639.2534	NA	PeJP	NA	NA
+PJ011261	PDDFF 	C31H37N5O10	639.2541	NA	PeJP	NA	NA
+PJ011262	CQKMM 	C24H45N7O7S3	639.2543	NA	PeJP	NA	NA
+PJ011263	PTEMY 	C28H41N5O10S	639.2574	NA	PeJP	NA	NA
+PJ011264	PCHHF 	C29H37N9O6S	639.2588	NA	PeJP	NA	NA
+PJ011265	GSPNEH 	C25H37N9O11	639.2613	NA	PeJP	NA	NA
+PJ011266	CLMHH 	C26H41N9O6S2	639.2621	NA	PeJP	NA	NA
+PJ011267	SSSTCR 	C22H41N9O11S	639.2646	NA	PeJP	NA	NA
+PJ011268	GSQYW 	C30H37N7O9	639.2653	NA	PeJP	NA	NA
+PJ011269	CCKMR 	C23H45N9O6S3	639.2655	NA	PeJP	NA	NA
+C14724	Demethyl-desacetyl-rifamycin S	C34H41NO11	639.268	NA	KEGG	NA	NA
+PJ011270	AQQMY 	C27H41N7O9S	639.2687	NA	PeJP	NA	NA
+MJ087951	Ashimycin B 	C23H41N7O14	639.271149	NA	MeJP	NA	NA
+PJ011271	GSSSTTT 	C23H41N7O14	639.2712	NA	PeJP	NA	NA
+PJ011272	GSSKMM 	C24H45N7O9S2	639.272	NA	PeJP	NA	NA
+PJ011273	NNQQH 	C24H37N11O10	639.2725	NA	PeJP	NA	NA
+PJ011274	SLEEY 	C28H41N5O12	639.2752	NA	PeJP	NA	NA
+PJ011275	PVMMY 	C29H45N5O7S2	639.2761	NA	PeJP	NA	NA
+PJ011276	SPNHW 	C29H37N9O8	639.2765	NA	PeJP	NA	NA
+PJ011277	GNMRY 	C26H41N9O8S	639.2799	NA	PeJP	NA	NA
+PJ011278	GCKFW 	C31H41N7O6S	639.2839	NA	PeJP	NA	NA
+PJ011279	SNKEY 	C27H41N7O11	639.2864	NA	PeJP	NA	NA
+PJ011280	SSSTKM 	C24H45N7O11S	639.2898	NA	PeJP	NA	NA
+PJ011281	PPTYY 	C32H41N5O9	639.2904	NA	PeJP	NA	NA
+PJ011282	PVDFY 	C32H41N5O9	639.2905	NA	PeJP	NA	NA
+PJ011283	CKKMM 	C25H49N7O6S3	639.2907	NA	PeJP	NA	NA
+PJ011284	PCQHR 	C25H41N11O7S	639.2911	NA	PeJP	NA	NA
+PJ011285	GAPCHR 	C25H41N11O7S	639.2912	NA	PeJP	NA	NA
+PJ011286	VVEMY 	C29H45N5O9S	639.2938	NA	PeJP	NA	NA
+PJ011287	SSQRY 	C26H41N9O10	639.2977	NA	PeJP	NA	NA
+PJ011288	GSKYW 	C31H41N7O8	639.3017	NA	PeJP	NA	NA
+C12246	Protorifamycin I	C35H45NO10	639.3043	NA	KEGG	NA	NA
+C14721	34a-Deoxy-rifamycin W	C35H45NO10	639.3043	NA	KEGG	NA	NA
+MJ087952	Rifamycin W; 8-Deoxy 	C35H45NO10	639.304346	NA	MeJP	NA	NA
+PJ011289	AQKMY 	C28H45N7O8S	639.305	NA	PeJP	NA	NA
+PJ011290	GAAKMY 	C28H45N7O8S	639.3051	NA	PeJP	NA	NA
+MJ087953	5-Oxoprolylasparaginylserylprolylarginylglycinamide 	C25H41N11O9	639.308871	NA	MeJP	NA	NA
+PJ011291	AQEHR 	C25H41N11O9	639.3089	NA	PeJP	NA	NA
+PJ011292	PVMFF 	C33H45N5O6S	639.3091	NA	PeJP	NA	NA
+PJ011293	VLMMF 	C30H49N5O6S2	639.3124	NA	PeJP	NA	NA
+PJ011294	GLQHW 	C30H41N9O7	639.3129	NA	PeJP	NA	NA
+PJ011295	ACKRY 	C27H45N9O7S	639.3163	NA	PeJP	NA	NA
+MJ087954	Phoslactomycin; Phoslactomycin E 	C32H50NO10P	639.317233	NA	MeJP	NA	NA
+PJ011296	GDHRR 	C24H41N13O8	639.3201	NA	PeJP	NA	NA
+PJ011297	SDKKY 	C28H45N7O10	639.3228	NA	PeJP	NA	NA
+PJ011298	AAHRW 	C29H41N11O6	639.3242	NA	PeJP	NA	NA
+PJ011299	PVVYY 	C33H45N5O8	639.3268	NA	PeJP	NA	NA
+PJ011300	PCKHR 	C26H45N11O6S	639.3275	NA	PeJP	NA	NA
+PJ011301	TLLMY 	C30H49N5O8S	639.3302	NA	PeJP	NA	NA
+PJ011302	SSKRY 	C27H45N9O9	639.334	NA	PeJP	NA	NA
+PJ011303	AAPPER 	C27H45N9O9	639.3341	NA	PeJP	NA	NA
+PJ011304	PPLQW 	C32H45N7O7	639.3381	NA	PeJP	NA	NA
+MJ087955	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-cinnamoyl(E-), 8-Ac 	C36H49NO9	639.340732	NA	MeJP	NA	NA
+PJ011305	AKKMY 	C29H49N7O7S	639.3414	NA	PeJP	NA	NA
+PJ011306	PPPVCK 	C29H49N7O7S	639.3415	NA	PeJP	NA	NA
+PJ011307	PPDRR 	C26H45N11O8	639.3453	NA	PeJP	NA	NA
+PJ011308	GLKHW 	C31H45N9O6	639.3493	NA	PeJP	NA	NA
+PJ011309	PKKMH 	C28H49N9O6S	639.3527	NA	PeJP	NA	NA
+PJ011310	ATHRR 	C25H45N13O7	639.3565	NA	PeJP	NA	NA
+PJ011311	TTKKY 	C29H49N7O9	639.3592	NA	PeJP	NA	NA
+MJ087956	Apicidin; 9'-Hydroxy 	C34H49N5O7	639.363198	NA	MeJP	NA	NA
+PJ011312	VVLFY 	C34H49N5O7	639.3632	NA	PeJP	NA	NA
+PJ011313	GPPTLR 	C28H49N9O8	639.3704	NA	PeJP	NA	NA
+PJ011314	PPLKW 	C33H49N7O6	639.3745	NA	PeJP	NA	NA
+MJ087957	Moxidectin 	C37H53NO8	639.377117	NA	MeJP	NA	NA
+PJ011315	SLKHR 	C27H49N11O7	639.3817	NA	PeJP	NA	NA
+PJ011316	SPPVLK 	C30H53N7O8	639.3956	NA	PeJP	NA	NA
+MJ087958	Antibiotic M 2845; O3-Propanoyl 	C34H57NO10	639.398247	NA	MeJP	NA	NA
+PJ011317	AAPLLR 	C29H53N9O7	639.4068	NA	PeJP	NA	NA
+MJ087959	Enniatin B 	C33H57N3O9	639.40948	NA	MeJP	NA	NA
+C15740	Enniatin B	C33H57N3O9	639.4095	NA	KEGG	NA	NA
+PJ011318	PVLRR 	C28H53N11O6	639.4181	NA	PeJP	NA	NA
+3254	bactenecin	RLCRIVVIRVCR	639.43	MH2+	Inhouse_peptide	NA	peptide
+PJ011319	GPLLLK 	C31H57N7O7	639.432	NA	PeJP	NA	NA
+MJ087960	Myxovirescin K1 	C35H61NO9	639.434632	NA	MeJP	NA	NA
+EUR773	Lyso PC 22:0 [M-H+acetate]-	C30H62NO7P	639.447492	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR773	Lyso PC 22:0 [M-H+acetate]-	C30H62NO7P	639.447492	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR773	Lyso PC 22:0 [M-H+acetate]-	C30H62NO7P	639.447492	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR773	Lyso PC 22:0 [M-H+acetate]-	C30H62NO7P	639.447492	masses lipides attendues	Inhousejuil11	NA	NA
+MJ087961	Pepstanone A 	C33H61N5O7	639.457099	NA	MeJP	NA	NA
+MJ087962	Hypericin; 2,5,9,12-Tetrachloro 	C30H12Cl4O8	639.928628	NA	MeJP	NA	NA
+MJ087963	Annamycin 	C26H25IO11	640.044155	NA	MeJP	NA	NA
+FL5FACGS0052	Quercetin 3-(2''-caffeylglucuronide)	C30H24O16	640.10643	152269-97-1	knapsack	NA	NA
+MJ087964	3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucuronopyranoside] 	C30H24O16	640.106434	NA	MeJP	NA	NA
+FL5FACGL0017	Quercetin 3-glucoside-7-glucuronide	C27H28O18	640.12756	134981-92-3	knapsack	NA	NA
+FL5FACGS0036	Quercetin 3-glucuronide-7-glucoside	C27H28O18	640.12756	96400-39-4	knapsack	NA	NA
+FL5FACGS0071	Quercetin 3-glucosyl-(1->2)-glucuronide	C27H28O18	640.12756	-	knapsack	NA	NA
+FL5FFAGS0010	Herbacetin 3-glucuronide-8-glucoside	C27H28O18	640.12756	113540-99-1	knapsack	NA	NA
+MJ087965	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-D-glucuronopyranoside] 	C27H28O18	640.127564	NA	MeJP	NA	NA
+MJ087966	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucuronopyranoside] 	C27H28O18	640.127564	NA	MeJP	NA	NA
+MJ087967	3,4',5,7,8-Pentahydroxyflavone; 3-O-?-D-Glucuronoside, 8-O-?-D-glucopyranoside 	C27H28O18	640.127564	NA	MeJP	NA	NA
+MJ087968	Isoquercitrin; 7-O-?-D-Glucuronopyranoside 	C27H28O18	640.127564	NA	MeJP	NA	NA
+MJ087969	Quercimeritrin; 3-O-?-D-Glucuronopyranoside 	C27H28O18	640.127564	NA	MeJP	NA	NA
+MJ087970	Emethallicin F 	C34H28N2O7S2	640.133792	NA	MeJP	NA	NA
+MJ087971	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C31H28O15	640.14282	NA	MeJP	NA	NA
+MJ087972	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-[(4-Hydroxycinnamoyl)-(?6)-?-D-glucopyranoside] 	C31H28O15	640.14282	NA	MeJP	NA	NA
+MJ087973	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C31H28O15	640.14282	NA	MeJP	NA	NA
+MJ087974	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-galactopyranoside] 	C31H28O15	640.14282	NA	MeJP	NA	NA
+MJ087975	Hyperin; 6''-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C31H28O15	640.14282	NA	MeJP	NA	NA
+FL5FACGL0060	Quercetin 3-(6''-ferulylglucoside)	C31H28O15	640.14282	153874-56-7	knapsack	NA	NA
+FL5FACGS0091	Quercetin 3-(6''-feruloylgalactoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one	C31H28O15	640.14282	287384-26-3	knapsack	NA	NA
+FL5FECGS0055	Patuletin 3-(6''-p-coumaroylglucoside);Quercetagetin 6-methyl ether 3-(6''-p-coumaroylglucoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one	C31H28O15	640.14282	235741-39-6	knapsack	NA	NA
+PJ011320	GCCDDE 	C21H32N6O13S2	640.1469	NA	PeJP	NA	NA
+PJ011321	CCDDW 	C25H32N6O10S2	640.1622	NA	PeJP	NA	NA
+FL3FECGS0026	6-Hydroxyluteolin 3'-methyl ether 7-sophoroside	C28H32O17	640.16394	73338-83-7	knapsack	NA	NA
+FL3FECGS0027	6-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside	C28H32O17	640.16394	92632-48-9	knapsack	NA	NA
+FL3FFCGS0012	8-Hydroxyluteolin 3'-methyl ether 7-allosyl-(1->2)-glucoside	C28H32O17	640.16394	98156-09-3	knapsack	NA	NA
+FL3FFCGS0013	8-Hydroxyluteolin 4'-methyl ether 7-allosyl-(1->2)-glucoside	C28H32O17	640.16394	114611-04-0	knapsack	NA	NA
+FL3FFCGS0020	8-Hydroxyluteolin 3'-methyl ether 7-sophoroside	C28H32O17	640.16394	151363-23-4	knapsack	NA	NA
+FL5FADGA0003	Isorhamnetin 3-glucosyl-(1->2)-galactoside	C28H32O17	640.16394	117383-33-2	knapsack	NA	NA
+FL5FADGA0004	Isorhamnetin 3-glucosyl-(1->3)-galactoside	C28H32O17	640.16394	139955-71-8	knapsack	NA	NA
+FL5FADGA0005	Isorhamnetin 3-glucosyl-(1->6)-galactoside	C28H32O17	640.16394	-	knapsack	NA	NA
+FL5FADGA0008	Isorhamnetin 3-galactoside-7-glucoside	C28H32O17	640.16394	33906-93-3	knapsack	NA	NA
+FL5FADGA0010	Isorhamnetin 3-galactoside-4'-glucoside	C28H32O17	640.16394	72688-56-3	knapsack	NA	NA
+FL5FADGL0005	Isorhamnetin 3-lactoside	C28H32O17	640.16394	73815-19-7	knapsack	NA	NA
+FL5FADGL0006	Isorhamnetin 3-galactosyl-(1->6)-glucoside	C28H32O17	640.16394	32472-27-8	knapsack	NA	NA
+FL5FADGL0007	Isorhamnetin 3-sophoroside	C28H32O17	640.16394	74137-43-2	knapsack	NA	NA
+FL5FADGL0008	Isorhamnetin 3-laminaribioside	C28H32O17	640.16394	171828-59-4	knapsack	NA	NA
+FL5FADGL0009	Isorhamnetin 3-gentiobioside	C28H32O17	640.16394	17429-69-5	knapsack	NA	NA
+FL5FADGL0014	Isorhamnetin 3,7-diglucoside	C28H32O17	640.16394	6758-51-6	knapsack	NA	NA
+FL5FADGL0016	Isorhamnetin 3,4'-diglucoside	C28H32O17	640.16394	28288-98-4	knapsack	NA	NA
+FL5FADGS0016	Isorhamnetin 7-sophoroside	C28H32O17	640.16394	123131-39-5	knapsack	NA	NA
+FL5FAEGA0002	Tamarixetin 3-glucosyl-(1->2)-galactoside;Quercetin 4'-methyl ether 3-glucosyl-(1->2)-galactoside;Thesioideoside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O17	640.16394	145937-28-6	knapsack	NA	NA
+FL5FAEGL0003	Tamarixetin 3,7-diglucoside;Quercetin 4'-methyl ether 3,7-diglucoside;3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O17	640.16394	165460-84-4	knapsack	NA	NA
+FL5FAHGL0002	Laricitrin 3-rutinoside	C28H32O17	640.16394	55481-90-8	knapsack	NA	NA
+FL5FCCGA0002	Rhamnetin 3-galactosyl-(1->4)-galactoside	C28H32O17	640.16394	59920-28-4	knapsack	NA	NA
+FL5FCCGA0003	Rhamnetin 3-galactosyl-(1->6)-galactoside	C28H32O17	640.16394	84323-24-0	knapsack	NA	NA
+FL5FCCGA0006	Rhamnetin 3-galactoside-4'-glucoside	C28H32O17	640.16394	-	knapsack	NA	NA
+FL5FCCGS0005	Rhamnetin 3-mannosyl-(1->2)-alloside	C28H32O17	640.16394	137830-19-4	knapsack	NA	NA
+FL5FCCGS0009	Quercetin 7-methyl ether 3-laminaribioside;Rhamnetin 3-laminaribioside;2-(3,4-Dihydroxyphenyl)-3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O17	640.16394	194934-83-3	knapsack	NA	NA
+FL5FCCGS0010	Quercetin 7-methyl ether 3-gentiobioside;Rhamnetin -gentiobioside;2-(3,4-Dihydroxyphenyl)-3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O17	640.16394	178690-15-8	knapsack	NA	NA
+FL5FDCGS0014	Madreselvin A;Quercetin 3-methyl ether 7-gentiobioside;2-(3,4-Dihydroxyphenyl)-7-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one	C28H32O17	640.16394	188682-83-9	knapsack	NA	NA
+FL5FDCGS0015	Quercetin 3-methyl ether 7-galactosyl-(1->4)-glucoside;2-(3,4-Dihydroxyphenyl)-7-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-methoxy-4H-1-benzopyran-4-one	C28H32O17	640.16394	475587-76-9	knapsack	NA	NA
+FL5FECGA0002	Patuletin-3-robinobioside	C28H32O17	640.16394	90706-65-3	knapsack	NA	NA
+FL5FECGL0005	Patuletin-3-rutinoside	C28H32O17	640.16394	19833-26-2	knapsack	NA	NA
+FL5FECGS0062	Quercetagetin 7-methyl ether 3-neohesperidoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O17	640.16394	235741-65-8	knapsack	NA	NA
+FL5FECGS0065	Axillarin 5-alpha-L-arabinosyl-(1->6)-glucoside;Quercetagetin 3,6-dimethyl ether 5-alpha-L-arabinosyl-(1->6)-glucoside	C28H32O17	640.16394	-	knapsack	NA	NA
+FL5FFAGL0005	Sexangularetin 3-sophoroside	C28H32O17	640.16394	114882-17-6	knapsack	NA	NA
+FL5FFAGL0008	Sexangularetin 3,7-diglucoside	C28H32O17	640.16394	106009-64-7	knapsack	NA	NA
+FL5FFAGS0027	Herbacetin 7-methyl ether 8-sophoroside	C28H32O17	640.16394	-	knapsack	NA	NA
+FL5FFCGA0005	Corniculatusin 3-robinobioside	C28H32O17	640.16394	103839-18-5	knapsack	NA	NA
+FL5FFCGL0005	Ranupenin 3-rutinoside	C28H32O17	640.16394	85122-22-1	knapsack	NA	NA
+FL5FFCGL0008	Haplogenin 3-rutinoside	C28H32O17	640.16394	79384-26-2	knapsack	NA	NA
+FL5FFCGS0013	Haploside F	C28H32O17	640.16394	97564-56-2	knapsack	NA	NA
+MJ087976	3',4',5,6,7-Pentahydroxyflavone; 4'-Me ether, 7-O-[?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087977	3',4',5,6-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Galactopyranosyl-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087978	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087979	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087980	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087981	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087982	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-L-rhamnopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087983	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087984	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087985	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087986	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 8-O-?-D-glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087987	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087988	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087989	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087990	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-D-Mannopyranosyl-(1?2)-?-D-allopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087991	3,3',4',7-Tetrahydroxy-5-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087992	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087993	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087994	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087995	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087996	3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 3-O-Rutinoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087997	3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-Neohesperidoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087998	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ087999	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-?-D-Galactopyranoside, 7-O-?-D-glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088000	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-Galactoside, 4'-O-?-D-glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088001	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-L-rhamnopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088002	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088003	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088004	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088005	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088006	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Sophoroside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088007	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucofuranosyl 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088008	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088009	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 3''-O-?-D-Glucopyranosyl 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088010	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4''-O-?-D-Galactopyranosyl 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088011	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088012	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Galactopyranosyl 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088013	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Glucopyranosyl 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088014	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-?-D-Glucopyranoside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088015	4',5,6,7-Tetrahydroxy-3'-methoxyflavone; 7-O-Sophoroside 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088016	4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Allopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088017	4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088018	Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-(4-hydroxybenzoyl) 	C28H32O17	640.163949	NA	MeJP	NA	NA
+MJ088019	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside 	C28H33O17(+)	640.163949	NA	MeJP	NA	NA
+MJ088020	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3,7-Di-?-D-glucopyranoside 	C28H33O17(+)	640.163949	NA	MeJP	NA	NA
+MJ088021	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H33O17(+)	640.163949	NA	MeJP	NA	NA
+MJ088022	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H33O17(+)	640.163949	NA	MeJP	NA	NA
+MJ088023	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H33O17(+)	640.163949	NA	MeJP	NA	NA
+PJ011322	SSCDDD 	C21H32N6O15S	640.1647	NA	PeJP	NA	NA
+PJ011323	SPCCCE 	C22H36N6O10S3	640.1655	NA	PeJP	NA	NA
+MJ088024	Violacetin 	C18H28N10O16	640.168474	NA	MeJP	NA	NA
+MJ088025	Chandonium(2+); Diiodide 	C26H46I2N2	640.175036	NA	MeJP	NA	NA
+PJ011324	GCCNNM 	C21H36N8O9S3	640.1768	NA	PeJP	NA	NA
+C09181	Chartreusin	C32H32O14	640.1792	NA	KEGG	NA	NA
+MJ088026	Chartreusin 	C32H32O14	640.179205	NA	MeJP	NA	NA
+MJ088027	Haedoxan I; 6''-Methoxy 	C32H32O14	640.179205	NA	MeJP	NA	NA
+MJ088028	Homoglutathione; L-L-form, Disulfide 	C22H36N6O12S2	640.183262	NA	MeJP	NA	NA
+PJ011325	GSCDEM 	C22H36N6O12S2	640.1833	NA	PeJP	NA	NA
+PJ011326	GPCCMM 	C23H40N6O7S4	640.1842	NA	PeJP	NA	NA
+MJ088029	Bipowinone 	C38H28N2O8	640.184565	NA	MeJP	NA	NA
+PJ011327	SSCCNQ 	C21H36N8O11S2	640.1945	NA	PeJP	NA	NA
+PJ011328	NDDDY 	C25H32N6O14	640.1977	NA	PeJP	NA	NA
+PJ011329	SCDMW 	C26H36N6O9S2	640.1985	NA	PeJP	NA	NA
+PJ011330	GPCCDF 	C26H36N6O9S2	640.1986	NA	PeJP	NA	NA
+C10481	Orobanchoside	C29H36O16	640.2003	NA	KEGG	NA	NA
+C10485	Plantamajoside	C29H36O16	640.2003	NA	KEGG	NA	NA
+C10499	Suspensaside	C29H36O16	640.2003	NA	KEGG	NA	NA
+C17528	beta-Hydroxyacteoside	C29H36O16	640.2003	NA	KEGG	NA	NA
+MJ088030	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[3,4-dihydroxy-E-cinnamoyl-(?5)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088031	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Allopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088032	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?3)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088033	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl-(?3)-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088034	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxycinnamoyl-(?4)-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088035	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-[3,4-dihydroxy-E-cinnamoyl-(?2)]-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088036	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-[3,4-dihydroxy-E-cinnamoyl-(?3)]-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088037	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?6)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088038	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088039	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(?4)-3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088040	Campneoside I; O-De-Me 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088041	Forsythiaside; 2'-Hydroxy 	C29H36O16	640.200335	NA	MeJP	NA	NA
+MJ088042	Olivin; 4''-O-(Glucosylglucoside) 	C29H36O16	640.200335	NA	MeJP	NA	NA
+PJ011331	SSSDDM 	C22H36N6O14S	640.201	NA	PeJP	NA	NA
+PJ011332	NDMMM 	C23H40N6O9S3	640.2019	NA	PeJP	NA	NA
+MJ088043	Citbismine A 	C35H32N2O10	640.205695	NA	MeJP	NA	NA
+PJ011333	GSSSSCN 	C21H36N8O13S	640.2123	NA	PeJP	NA	NA
+PJ011334	CCEMR 	C22H40N8O8S3	640.2131	NA	PeJP	NA	NA
+PJ011335	GCCCQK 	C22H40N8O8S3	640.2132	NA	PeJP	NA	NA
+PJ011336	GSPCDY 	C26H36N6O11S	640.2163	NA	PeJP	NA	NA
+MJ088044	Nicomol 	C34H32N4O9	640.216928	NA	MeJP	NA	NA
+PJ011337	ACMMW 	C27H40N6O6S3	640.2172	NA	PeJP	NA	NA
+PJ011338	GSSEMM 	C23H40N6O11S2	640.2197	NA	PeJP	NA	NA
+PJ011339	CNMHH 	C24H36N10O7S2	640.221	NA	PeJP	NA	NA
+MJ088045	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[?-D-xylopyranosyl-(1?3)-?-D-galactopyranoside] 	C26H40O18	640.221464	NA	MeJP	NA	NA
+MJ088046	Pregn-9(11)-ene-3,6,20-triol, 6-O-(6-Deoxy-?-D-glucopyranoside), 3,4'-di-O-sulfate 	C27H44O13S2	640.222332	NA	MeJP	NA	NA
+PJ011340	CNNQY 	C25H36N8O10S	640.2275	NA	PeJP	NA	NA
+PJ011341	GGGGGACY 	C25H36N8O10S	640.2276	NA	PeJP	NA	NA
+MJ088047	6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; O-(3-Methylbutanoyl), tri-Ac 	C31H41ClO12	640.228654	NA	MeJP	NA	NA
+PJ011342	SSCCNK 	C22H40N8O10S2	640.2309	NA	PeJP	NA	NA
+PJ011343	GCEFW 	C30H36N6O8S	640.2316	NA	PeJP	NA	NA
+PJ011344	SNEEY 	C26H36N6O13	640.234	NA	PeJP	NA	NA
+PJ011345	GGSEEY 	C26H36N6O13	640.2341	NA	PeJP	NA	NA
+PJ011346	SSMMW 	C27H40N6O8S2	640.2349	NA	PeJP	NA	NA
+MJ088048	2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 2,3,4,9,12-Penta-Ac 	C30H40O15	640.23672	NA	MeJP	NA	NA
+MJ088049	4,4',5,7-Tetrahydroxy-6,8-dimethylflavan; 4'-Me ether, 5,7-di-O-?-D-glucopyranoside 	C30H40O15	640.23672	NA	MeJP	NA	NA
+FL64ABGM0002	Eruberin B	C30H40O15	640.23672	90146-69-3	knapsack	NA	NA
+PJ011347	SSSTEM 	C23H40N6O13S	640.2374	NA	PeJP	NA	NA
+PJ011348	TQMMM 	C24H44N6O8S3	640.2383	NA	PeJP	NA	NA
+PJ011349	GSTCHH 	C24H36N10O9S	640.2388	NA	PeJP	NA	NA
+MJ088050	3,3',4,4',5-Pentahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 3,5-Di-Me ether, bis(4-hydroxyphenylethylamide) 	C36H36N2O9	640.24208	NA	MeJP	NA	NA
+PJ011350	GSSNNY 	C25H36N8O12	640.2453	NA	PeJP	NA	NA
+PJ011351	PCCRY 	C26H40N8O7S2	640.2462	NA	PeJP	NA	NA
+PJ011352	CFWW 	C34H36N6O5S	640.2468	NA	PeJP	NA	NA
+PJ011353	GSEYW 	C30H36N6O10	640.2493	NA	PeJP	NA	NA
+PJ011354	TCMMR 	C23H44N8O7S3	640.2495	NA	PeJP	NA	NA
+MJ088051	Agrimols; Agrimol F 	C34H40O12	640.251976	NA	MeJP	NA	NA
+MJ088052	Filixic acids; Filixic acid ABB 	C34H40O12	640.251976	NA	MeJP	NA	NA
+MJ088053	Filixic acids; Filixic acid PBP 	C34H40O12	640.251976	NA	MeJP	NA	NA
+MJ088054	Trisabbreviatin BBB 	C34H40O12	640.251976	NA	MeJP	NA	NA
+MJ088055	Trisaemulins; Trisaemulin BAB 	C34H40O12	640.251976	NA	MeJP	NA	NA
+PJ011355	AQEMY 	C27H40N6O10S	640.2527	NA	PeJP	NA	NA
+MJ088056	Cryptophycin 28; 7?,8?-Epoxide 	C34H41ClN2O8	640.255144	NA	MeJP	NA	NA
+MJ088057	Cryptophycin 29; 7?,8?-Epoxide 	C34H41ClN2O8	640.255144	NA	MeJP	NA	NA
+MJ088058	Cryptophycin 49; 7?,8?-Epoxide 	C34H41ClN2O8	640.255144	NA	MeJP	NA	NA
+MJ088059	Cryptophycin 4; 6'-Chloro, 7R*,8R*-epoxide, O-de-Me 	C34H41ClN2O8	640.255144	NA	MeJP	NA	NA
+PJ011356	GTTTMM 	C24H44N6O10S2	640.2561	NA	PeJP	NA	NA
+PJ011357	SSSSHH 	C24H36N10O11	640.2565	NA	PeJP	NA	NA
+PJ011358	GGGGGAEH 	C24H36N10O11	640.2566	NA	PeJP	NA	NA
+PJ011359	SPDHW 	C29H36N8O9	640.2605	NA	PeJP	NA	NA
+PJ011360	GDMRY 	C26H40N8O9S	640.2639	NA	PeJP	NA	NA
+PJ011361	SYWW 	C34H36N6O7	640.2646	NA	PeJP	NA	NA
+MJ088060	1,2,6,9-Tetrahydroxydihydro-?-agarofuran, 2,6,9-Tribenzoyl, 1-Ac 	C38H40O9	640.267232	NA	MeJP	NA	NA
+MJ088061	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 6-Ac 	C38H40O9	640.267232	NA	MeJP	NA	NA
+MJ088062	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 6,8,9-Tribenzoyl, 1-Ac 	C38H40O9	640.267232	NA	MeJP	NA	NA
+MJ088063	Furobinordentatin 	C38H40O9	640.267232	NA	MeJP	NA	NA
+PJ011362	AAMYW 	C31H40N6O7S	640.2679	NA	PeJP	NA	NA
+MJ088064	Ociltide 	C31H40N6O7S	640.267918	NA	MeJP	NA	NA
+PJ011363	GAPCFF 	C31H40N6O7S	640.268	NA	PeJP	NA	NA
+PJ011364	SDKEY 	C27H40N6O12	640.2704	NA	PeJP	NA	NA
+PJ011365	PPPTDD 	C27H40N6O12	640.2705	NA	PeJP	NA	NA
+PJ011366	PCKMY 	C28H44N6O7S2	640.2713	NA	PeJP	NA	NA
+PJ011367	GNQHW 	C28H36N10O8	640.2718	NA	PeJP	NA	NA
+MJ088065	[[4'-[(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-[(3-methoxyphenyl)methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; Butyl ester 	C36H40N4O5S	640.271941	NA	MeJP	NA	NA
+MJ088066	1,4,6,15-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 1-[2-Hydroxy-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside, Me ester 	C31H44O14	640.273106	NA	MeJP	NA	NA
+PJ011368	STTTTM 	C24H44N6O12S	640.2738	NA	PeJP	NA	NA
+PJ011369	TKMMM 	C25H48N6O7S3	640.2747	NA	PeJP	NA	NA
+PJ011370	PCEHR 	C25H40N10O8S	640.2752	NA	PeJP	NA	NA
+PJ011371	APMHW 	C30H40N8O6S	640.2792	NA	PeJP	NA	NA
+PJ011372	SSERY 	C26H40N8O11	640.2817	NA	PeJP	NA	NA
+PJ011373	CCLFR 	C27H44N8O6S2	640.2825	NA	PeJP	NA	NA
+PJ011374	GMMFR 	C27H44N8O6S2	640.2826	NA	PeJP	NA	NA
+PJ011375	PNHHH 	C27H36N12O7	640.283	NA	PeJP	NA	NA
+PJ011376	ATTYW 	C31H40N6O9	640.2857	NA	PeJP	NA	NA
+MJ088067	Nimbolinin; 21,23-Dihydro, 21-oxo, 12-ketone(lactone), 7-tigloyl, 1,3-di-Ac 	C35H44O11	640.288362	NA	MeJP	NA	NA
+PJ011377	AKEMY 	C28H44N6O9S	640.2891	NA	PeJP	NA	NA
+MJ088068	Cimiciphytine; O16-De-Me 	C36H40N4O7	640.289699	NA	MeJP	NA	NA
+MJ088069	Cimiciphytine; O17-De-Me 	C36H40N4O7	640.289699	NA	MeJP	NA	NA
+PJ011378	AEEHR 	C25H40N10O10	640.2929	NA	PeJP	NA	NA
+7717	NA	SKWDNFRGSW~	640.2959	MH2+	Inhouse_peptide	NA	peptide
+PJ011379	GLEHW 	C30H40N8O8	640.2969	NA	PeJP	NA	NA
+7033	synthetic peptide from alpha-gliadin	QQNPQAQGSVQP	640.29745	MH2+	Inhouse_peptide	NA	peptide
+PJ011380	ATMRY 	C27H44N8O8S	640.3003	NA	PeJP	NA	NA
+PJ011381	AAFFW 	C35H40N6O6	640.301	NA	PeJP	NA	NA
+PJ011382	SNQHR 	C24H40N12O9	640.3041	NA	PeJP	NA	NA
+PJ011383	GGSQHR 	C24H40N12O9	640.3042	NA	PeJP	NA	NA
+PJ011384	PCKFF 	C32H44N6O6S	640.3043	NA	PeJP	NA	NA
+PJ011385	TTKEY 	C28H44N6O11	640.3068	NA	PeJP	NA	NA
+PJ011386	CLKMF 	C29H48N6O6S2	640.3077	NA	PeJP	NA	NA
+PJ011387	GNKHW 	C29H40N10O7	640.3082	NA	PeJP	NA	NA
+MJ088070	2,3,4,8,9,11,12,17-Octahydroxy-5,13-briaradien-18,7-olide, 4-Octanoyl, 2,9-di-Ac 	C32H48O13	640.309491	NA	MeJP	NA	NA
+MJ088071	4,18:11,16:15,16-Triepoxy-2,6,15,19-clerodanetetrol, 19-[3S-(3S-Acetoxybutanoyloxy)butanoyl], 6-Ac 	C32H48O13	640.309491	NA	MeJP	NA	NA
+PJ011388	PTMHR 	C26H44N10O7S	640.3115	NA	PeJP	NA	NA
+PJ011389	LHWW 	C34H40N8O5	640.3122	NA	PeJP	NA	NA
+MJ088072	Chenabinol; Me ether 	C38H44N2O7	640.314851	NA	MeJP	NA	NA
+MJ088073	Neothalibrine; 2'-N-Oxide (?-) 	C38H44N2O7	640.314851	NA	MeJP	NA	NA
+MJ088074	Thalirugine 	C38H44N2O7	640.314851	NA	MeJP	NA	NA
+PJ011390	TTTRY 	C27H44N8O10	640.3181	NA	PeJP	NA	NA
+PJ011391	PPLEW 	C32H44N6O8	640.3221	NA	PeJP	NA	NA
+MJ088075	Nimbolinin B; 12-Me ether 	C36H48O10	640.324747	NA	MeJP	NA	NA
+PJ011392	SLKMY 	C29H48N6O8S	640.3254	NA	PeJP	NA	NA
+PJ011393	VTKMY 	C29H48N6O8S	640.3255	NA	PeJP	NA	NA
+PJ011394	SLEHR 	C26H44N10O9	640.3293	NA	PeJP	NA	NA
+PJ011395	SVLHW 	C31H44N8O7	640.3333	NA	PeJP	NA	NA
+PJ011396	LLQMH 	C28H48N8O7S	640.3367	NA	PeJP	NA	NA
+PJ011397	SNKHR 	C25H44N12O8	640.3405	NA	PeJP	NA	NA
+PJ011398	SPPVLE 	C29H48N6O10	640.3432	NA	PeJP	NA	NA
+MJ088076	Pyroglutamylglycylleucylargininyltryptophanamide; L-L-L-L-L-form 	C30H44N10O6	640.344529	NA	MeJP	NA	NA
+PJ011399	FRRY 	C30H44N10O6	640.3446	NA	PeJP	NA	NA
+MJ088077	Cotylenin D 	C33H52O12	640.345877	NA	MeJP	NA	NA
+MJ088078	Spirost-25(27)-ene-1,2,3,4,5-pentol, 5-O-?-D-Glucopyranoside 	C33H52O12	640.345877	NA	MeJP	NA	NA
+MJ088079	Spirostane-2,3,5,6,24-pentol, 6-Ketone, 24-O-?-D-glucopyranoside 	C33H52O12	640.345877	NA	MeJP	NA	NA
+MJ088080	Bufogenin; 3-O-(Argininylsuccinoyl) 	C34H48N4O8	640.347214	NA	MeJP	NA	NA
+PJ011400	VVMHR 	C27H48N10O6S	640.3479	NA	PeJP	NA	NA
+PJ011401	ASTLLH 	C28H48N8O9	640.3544	NA	PeJP	NA	NA
+PJ011402	GTTLLH 	C28H48N8O9	640.3545	NA	PeJP	NA	NA
+PJ011403	ALKFY 	C33H48N6O7	640.3585	NA	PeJP	NA	NA
+MJ088081	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-(3,4,5-Trihydroxybenzoyl) 	C37H52O9	640.361133	NA	MeJP	NA	NA
+MJ088082	Milbemycin ?1; 26-O-(3-Methyl-2-pentenoyloxy) 	C37H52O9	640.361133	NA	MeJP	NA	NA
+MJ088083	Milbemycin ?3; 26-(Tigloyloxy) 	C37H52O9	640.361133	NA	MeJP	NA	NA
+MJ088084	Milbemycin ?3; 26-O-(3-Methyl-2-butenoyloxy) 	C37H52O9	640.361133	NA	MeJP	NA	NA
+PJ011404	APPILM 	C30H52N6O7S	640.3618	NA	PeJP	NA	NA
+PJ011405	APPLLM 	C30H52N6O7S	640.3619	NA	PeJP	NA	NA
+PJ011406	GSPPKR 	C27H48N10O8	640.3657	NA	PeJP	NA	NA
+PJ011407	PLKHF 	C32H48N8O6	640.3697	NA	PeJP	NA	NA
+PJ011408	LLKMH 	C29H52N8O6S	640.3731	NA	PeJP	NA	NA
+PJ011409	PVNRR 	C26H48N12O7	640.3769	NA	PeJP	NA	NA
+PJ011410	GPLLLE 	C30H52N6O9	640.3796	NA	PeJP	NA	NA
+MJ088085	Pregn-5-ene-3,14,20-triol, 3-O-[3-O-Methyl-?-D-galactopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C34H56O11	640.382262	NA	MeJP	NA	NA
+PJ011411	GPRRR 	C25H48N14O6	640.3882	NA	PeJP	NA	NA
+PJ011412	APPTKK 	C29H52N8O8	640.3908	NA	PeJP	NA	NA
+PJ011413	GGGPLLK 	C29H52N8O8	640.3909	NA	PeJP	NA	NA
+PJ011414	PLLLW 	C34H52N6O6	640.3949	NA	PeJP	NA	NA
+MJ088086	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-(9,12-Octadecadienoyl), 8-(2-methylbutanoyl) 	C38H56O8	640.397518	NA	MeJP	NA	NA
+PJ011415	PLQKR 	C28H52N10O7	640.4021	NA	PeJP	NA	NA
+PJ011416	SPVLLL 	C31H56N6O8	640.416	NA	PeJP	NA	NA
+C17024	Mosesin 4	C35H60O10	640.4186	NA	KEGG	NA	NA
+MJ088087	Cholest-4-ene-3,7,12,26-tetrol, 4,5-Dihydro, 7-O-?-D-galactopyranoside, 26-Ac 	C35H60O10	640.418648	NA	MeJP	NA	NA
+MJ088088	Ergost-4-ene-3,6,8,15,16,26-hexol, 3-(2,3-Di-O-methyl-?-D-xylopyranoside) 	C35H60O10	640.418648	NA	MeJP	NA	NA
+MJ088089	Monensin; Monensin B, 26-Deoxy 	C35H60O10	640.418648	NA	MeJP	NA	NA
+MJ088090	Stigmast-4-ene-3,6,8,15,16,26-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside) 	C35H60O10	640.418648	NA	MeJP	NA	NA
+PJ011417	GPVLKK 	C30H56N8O7	640.4272	NA	PeJP	NA	NA
+MJ088091	Cemadotin 	C35H56N6O5	640.431218	NA	MeJP	NA	NA
+PJ011418	PLKKR 	C29H56N10O6	640.4385	NA	PeJP	NA	NA
+MJ088092	2,6,11,15-Tetramethyl-2,4,6,8,10,12,14,16-octadecaoctaenedioic acid, 18-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenoyl) ester, 1-Me ester 	C43H60O4	640.44916	NA	MeJP	NA	NA
+MJ088093	Flexixanthin; 2'-Methoxy, 1',3-di-Me ether 	C43H60O4	640.44916	NA	MeJP	NA	NA
+PJ011419	GLLLLL 	C32H60N6O7	640.4524	NA	PeJP	NA	NA
+MJ088094	2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13,14,15-Hexahydro, 10,11,14,15-tetrahydroxy, 11-O-?-D-mannopyranoside 	C36H64O9	640.455033	NA	MeJP	NA	NA
+MJ088095	Pleuromutilin; 1'-O-(9,12-Octadecadienoyl) 	C40H64O6	640.470289	NA	MeJP	NA	NA
+MJ088096	Scapaundulin B 	C40H64O6	640.470289	NA	MeJP	NA	NA
+MJ088097	Montanacin A 	C37H68O8	640.491419	NA	MeJP	NA	NA
+MJ088098	Otivarin 	C37H68O8	640.491419	NA	MeJP	NA	NA
+MJ088099	Antibiotic WB 3559C 	C36H68N2O7	640.502652	NA	MeJP	NA	NA
+MJ088100	Topostin D 640 	C36H68N2O7	640.502652	NA	MeJP	NA	NA
+HMDB05237	DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C41H68O5	640.50665	http://www.hmdb.ca/metabolites/HMDB05237	HMDB	NA	NA
+HMDB05237	DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C41H68O5	640.50665	HMDB05237	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07121	DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07148	DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07149	DG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07201	DG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07230	DG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07257	DG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07258	DG(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07284	DG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07285	DG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07313	DG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07314	DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07341	DG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07425	DG(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07452	DG(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07453	DG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07481	DG(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07482	DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07509	DG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07538	DG(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07565	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07566	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07708	DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07737	DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+HMDB07765	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0)	C41H68O5	640.506653	NA	HMDB2010	NA	NA
+MJ088101	4,21,27,42-Pentatetracontatetraene-1,12,15,44-tetrayne-3,14-diol 	C45H68O2	640.521931	NA	MeJP	NA	NA
+MJ088102	3-(4-Hydroxyphenyl)-2-propenoic acid, Tetratriacontyl ester 	C43H76O3	640.579446	NA	MeJP	NA	NA
+MJ088103	3-Amino-2,4,6-triiodobenzoic acid; N,N-Di-Ac, Propyl ester 	C14H14I3NO4	640.805688	NA	MeJP	NA	NA
+MJ088104	Tyropanoic acid 	C15H18I3NO3	640.842073	NA	MeJP	NA	NA
+C13511	Ferric gluconate	C11H16O12SR2	641.0864	NA	KEGG	NA	NA
+C13512	Transferred to D02011	C11H16O12SR2	641.0864	NA	KEGG	NA	NA
+C13513	Transferred to D02012	C11H16O12SR2	641.0864	NA	KEGG	NA	NA
+C13514	Transferred to D02013	C11H16O12SR2	641.0864	NA	KEGG	NA	NA
+MJ088105	4-(Methylthio)-3-butenyl glucosinolate; S-Oxide, 6'-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C23H31NO14S3	641.090666	NA	MeJP	NA	NA
+MJ088106	Lamellarin H; 7-Methoxy, 5?-hydroxy, 5,6-dihydro, 8,9,13,21-tetra-Me ether, 20-sulfate 	C30H27NO13S	641.12031	NA	MeJP	NA	NA
+PJ011420	PCCCCN 	C21H35N7O8S4	641.143	NA	PeJP	NA	NA
+PJ011421	GCCNDM 	C21H35N7O10S3	641.1608	NA	PeJP	NA	NA
+MJ088107	Deacylconvolutamide; N-(8-Eicosenoyl) 	C30H45Br2NO4	641.171534	NA	MeJP	NA	NA
+FL7AAHGL0002	Petunidin 3-sophoroside	C28H33O17	641.17177	-	knapsack	NA	NA
+FL7AAHGL0003	Petunidin 3-gentiobioside	C28H33O17	641.17177	39814-18-1	knapsack	NA	NA
+FL7AAHGL0005	Petunin;Petunidin 3,5-di-O-beta-D-glucoside	C28H33O17	641.17177	25846-73-5	knapsack	NA	NA
+FL7AAHGL0021	Petunidin 3,7-di-glucoside	C28H33O17	641.17177	887330-48-5	knapsack	NA	NA
+PJ011422	CCCQW 	C25H35N7O7S3	641.176	NA	PeJP	NA	NA
+PJ011423	SSCCNE 	C21H35N7O12S2	641.1785	NA	PeJP	NA	NA
+PJ011424	DDDDY 	C25H31N5O15	641.1817	NA	PeJP	NA	NA
+PJ011425	DDMMM 	C23H39N5O10S3	641.1859	NA	PeJP	NA	NA
+PJ011426	GSSCCW 	C25H35N7O9S2	641.1938	NA	PeJP	NA	NA
+MJ088108	Geodiamolide A 	C28H40IN3O6	641.196179	NA	MeJP	NA	NA
+PJ011427	GSSSSCD 	C21H35N7O14S	641.1963	NA	PeJP	NA	NA
+PJ011428	GSCNMM 	C22H39N7O9S3	641.1972	NA	PeJP	NA	NA
+MJ088109	Cyclothialidines; Cyclothialidine A 	C26H35N5O12S	641.200292	NA	MeJP	NA	NA
+C12057	Cyclothialidine	C26H35N5O12S	641.2003	NA	KEGG	NA	NA
+PJ011429	DDDMF 	C26H35N5O12S	641.2003	NA	PeJP	NA	NA
+PJ011430	CDMHH 	C24H35N9O8S2	641.205	NA	PeJP	NA	NA
+PJ011431	GTCCCR 	C21H39N9O8S3	641.2084	NA	PeJP	NA	NA
+PJ011432	CNNEY 	C25H35N7O11S	641.2115	NA	PeJP	NA	NA
+PJ011433	GGCNEY 	C25H35N7O11S	641.2116	NA	PeJP	NA	NA
+PJ011434	CCCKW 	C26H39N7O6S3	641.2124	NA	PeJP	NA	NA
+PJ011435	SSSCQM 	C22H39N7O11S2	641.2149	NA	PeJP	NA	NA
+PJ011436	SDEEY 	C26H35N5O14	641.2181	NA	PeJP	NA	NA
+PJ011437	PCEMY 	C27H39N5O9S2	641.2189	NA	PeJP	NA	NA
+PJ011438	TEMMM 	C24H43N5O9S3	641.2223	NA	PeJP	NA	NA
+PJ011439	GPCNDH 	C24H35N9O10S	641.2228	NA	PeJP	NA	NA
+PJ011440	SSSCCR 	C21H39N9O10S2	641.2262	NA	PeJP	NA	NA
+PJ011441	GCNYW 	C29H35N7O8S	641.2268	NA	PeJP	NA	NA
+PJ011442	GSSNDY 	C25H35N7O13	641.2293	NA	PeJP	NA	NA
+PJ011443	CNQMF 	C26H39N7O8S2	641.2302	NA	PeJP	NA	NA
+PJ011444	GSSSSSM 	C22H39N7O13S	641.2327	NA	PeJP	NA	NA
+PJ011445	ASCCKM 	C23H43N7O8S3	641.2335	NA	PeJP	NA	NA
+PJ011446	GTCCKM 	C23H43N7O8S3	641.2336	NA	PeJP	NA	NA
+PJ011447	AEEMY 	C27H39N5O11S	641.2367	NA	PeJP	NA	NA
+PJ011448	NNEEH 	C24H35N9O12	641.2405	NA	PeJP	NA	NA
+PJ011449	GGNEEH 	C24H35N9O12	641.2406	NA	PeJP	NA	NA
+PJ011450	VMMMM 	C25H47N5O6S4	641.2409	NA	PeJP	NA	NA
+PJ011451	CCNFR 	C25H39N9O7S2	641.2414	NA	PeJP	NA	NA
+PJ011452	SNQMY 	C26H39N7O10S	641.2479	NA	PeJP	NA	NA
+PJ011453	SSSSSST 	C22H39N7O15	641.2504	NA	PeJP	NA	NA
+PJ011454	SSSCKM 	C23H43N7O10S2	641.2513	NA	PeJP	NA	NA
+PJ011455	GSNNNH 	C23H35N11O11	641.2518	NA	PeJP	NA	NA
+PJ011456	PPCYY 	C31H39N5O8S	641.252	NA	PeJP	NA	NA
+PJ011457	TTEEY 	C27H39N5O13	641.2545	NA	PeJP	NA	NA
+PJ011458	PTMMY 	C28H43N5O8S2	641.2553	NA	PeJP	NA	NA
+PJ011459	GNEHW 	C28H35N9O9	641.2558	NA	PeJP	NA	NA
+PJ011460	SCNRY 	C25H39N9O9S	641.2592	NA	PeJP	NA	NA
+MJ088110	1,6,8,9-Tetrahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 8,9-dibenzoyl, 6-Ac 	C37H39NO9	641.262481	NA	MeJP	NA	NA
+MJ088111	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 14-(3-Pyridinecarbonyl), 8,9-dibenzoyl, 1-Ac 	C37H39NO9	641.262481	NA	MeJP	NA	NA
+PJ011461	GSSTQY 	C26H39N7O12	641.2657	NA	PeJP	NA	NA
+PJ011462	CNKMF 	C27H43N7O7S2	641.2666	NA	PeJP	NA	NA
+PJ011463	PDHHH 	C27H35N11O8	641.267	NA	PeJP	NA	NA
+PJ011464	APEYY 	C31H39N5O10	641.2697	NA	PeJP	NA	NA
+PJ011465	NHWW 	C32H35N9O6	641.2711	NA	PeJP	NA	NA
+PJ011466	SLEMY 	C28H43N5O10S	641.2731	NA	PeJP	NA	NA
+PJ011467	AMHHF 	C29H39N9O6S	641.2744	NA	PeJP	NA	NA
+PJ011468	NDKEH 	C25H39N9O11	641.2769	NA	PeJP	NA	NA
+PJ011469	GGGGGGSPP 	C25H39N9O11	641.277	NA	PeJP	NA	NA
+PJ011470	GQQFY 	C30H39N7O9	641.2809	NA	PeJP	NA	NA
+PJ011471	PPNEW 	C30H39N7O9	641.281	NA	PeJP	NA	NA
+C14725	Demethyl-desacetyl-rifamycin SV	C34H43NO11	641.2836	NA	KEGG	NA	NA
+MJ088112	3,5,7,9,15-Pentahydroxy-6(17),11-jatrophadien-14-one, 9-(3-Pyridinecarbonyl), 3,5,7,15-tetra-Ac 	C34H43NO11	641.283611	NA	MeJP	NA	NA
+PJ011472	SNKMY 	C27H43N7O9S	641.2843	NA	PeJP	NA	NA
+PJ011473	SNEHR 	C24H39N11O10	641.2882	NA	PeJP	NA	NA
+PJ011474	PCLFY 	C32H43N5O7S	641.2883	NA	PeJP	NA	NA
+PJ011475	VVMMY 	C29H47N5O7S2	641.2917	NA	PeJP	NA	NA
+PJ011476	GDKHW 	C29H39N9O8	641.2922	NA	PeJP	NA	NA
+PJ011477	LNQMH 	C26H43N9O8S	641.2955	NA	PeJP	NA	NA
+PJ011478	VQQMH 	C26H43N9O8S	641.2956	NA	PeJP	NA	NA
+PJ011479	GPPWW 	C34H39N7O6	641.2962	NA	PeJP	NA	NA
+7710	NA	DWNKDLHIWG	641.29785	MH2+	Inhouse_peptide	NA	peptide
+MJ088113	Lipoxin C4 	C30H47N3O10S	641.298215	NA	MeJP	NA	NA
+PJ011480	GSSTKY 	C27H43N7O11	641.3021	NA	PeJP	NA	NA
+PJ011481	GSHRW 	C28H39N11O7	641.3034	NA	PeJP	NA	NA
+MJ088114	Rubellidin 3.2 	C32H43N5O9	641.306077	NA	MeJP	NA	NA
+PJ011482	SPLYY 	C32H43N5O9	641.3061	NA	PeJP	NA	NA
+PJ011483	AQMHR 	C25H43N11O7S	641.3068	NA	PeJP	NA	NA
+PJ011484	GSPPER 	C26H43N9O10	641.3133	NA	PeJP	NA	NA
+PJ011485	PPDKW 	C31H43N7O8	641.3173	NA	PeJP	NA	NA
+MJ088115	Cyclosquamosin A 	C31H43N7O8	641.317311	NA	MeJP	NA	NA
+PJ011486	ACHRR 	C24H43N13O6S	641.318	NA	PeJP	NA	NA
+MJ088116	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,13-di-Ac 	C35H47NO10	641.319996	NA	MeJP	NA	NA
+MJ088117	Austrotaxine; O2',O13,O14-Tri-de-Ac 	C35H47NO10	641.319996	NA	MeJP	NA	NA
+MJ088118	Proansamycin B-M1 	C35H47NO10	641.319996	NA	MeJP	NA	NA
+MJ088119	Protorifamycin I-MI; Deoxy 	C35H47NO10	641.319996	NA	MeJP	NA	NA
+C10619	Taxine A	C35H47NO10	641.32	NA	KEGG	NA	NA
+C12176	Proansamycin X	C35H47NO10	641.32	NA	KEGG	NA	NA
+PJ011487	TCKKY 	C28H47N7O8S	641.3207	NA	PeJP	NA	NA
+MJ088120	Cycloaspeptide A 	C36H43N5O6	641.321334	NA	MeJP	NA	NA
+PJ011488	SDKHR 	C25H43N11O9	641.3245	NA	PeJP	NA	NA
+PJ011489	GATTHR 	C25H43N11O9	641.3246	NA	PeJP	NA	NA
+PJ011490	VVMFF 	C33H47N5O6S	641.3247	NA	PeJP	NA	NA
+PJ011491	SPPRW 	C30H43N9O7	641.3286	NA	PeJP	NA	NA
+MJ088121	Neooxazolomycin 	C34H47N3O9	641.33123	NA	MeJP	NA	NA
+PJ011492	AAPPMR 	C27H47N9O7S	641.3319	NA	PeJP	NA	NA
+PJ011493	GPPCLR 	C27H47N9O7S	641.332	NA	PeJP	NA	NA
+MJ088122	Pipotiazine; O-(10-Undecenoyl) 	C35H51N3O4S2	641.332098	NA	MeJP	NA	NA
+MJ088123	Phoslactomycin; Leustroducsin A 	C32H52NO10P	641.332883	NA	MeJP	NA	NA
+MJ088124	Phoslactomycin; Phoslactomycin F 	C32H52NO10P	641.332883	NA	MeJP	NA	NA
+PJ011494	SSHRR 	C24H43N13O8	641.3358	NA	PeJP	NA	NA
+PJ011495	APPTKE 	C28H47N7O10	641.3385	NA	PeJP	NA	NA
+MJ088125	Polymastiamide B; 4'-Demethoxy, ?24-isomer 	C36H51NO7S	641.338623	NA	MeJP	NA	NA
+PJ011496	VLHHH 	C29H43N11O6	641.3398	NA	PeJP	NA	NA
+7017	synthetic peptide from alpha-gliadin	LQQQLIPCMDVV	641.34065	MH2+	Inhouse_peptide	NA	peptide
+HMDB02472	(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	C32H51NO12	641.341125	NA	HMDB2010	NA	NA
+HMDB02472	(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	C32H51NO12	641.34113	http://www.hmdb.ca/metabolites/HMDB02472	HMDB	NA	NA
+HMDB02472	(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid	C32H51NO12	641.34113	HMDB02472	PFEM_hmdb_metabocards_official	NA	NA
+PJ011497	ALLYY 	C33H47N5O8	641.3425	NA	PeJP	NA	NA
+PJ011498	AKMHR 	C26H47N11O6S	641.3432	NA	PeJP	NA	NA
+PJ011499	PLQER 	C27H47N9O9	641.3497	NA	PeJP	NA	NA
+PJ011500	PVLQW 	C32H47N7O7	641.3537	NA	PeJP	NA	NA
+MJ088126	Antibiotic WF 1360A 	C36H51NO9	641.356382	NA	MeJP	NA	NA
+PJ011501	GPPLKM 	C29H51N7O7S	641.3571	NA	PeJP	NA	NA
+PJ011502	PVDRR 	C26H47N11O8	641.3609	NA	PeJP	NA	NA
+PJ011503	GGGAPKR 	C26H47N11O8	641.361	NA	PeJP	NA	NA
+PJ011504	APLRW 	C31H47N9O6	641.365	NA	PeJP	NA	NA
+PJ011505	VKKMH 	C28H51N9O6S	641.3683	NA	PeJP	NA	NA
+PJ011506	SPPTLK 	C29H51N7O9	641.3748	NA	PeJP	NA	NA
+PJ011507	GPVLKE 	C29H51N7O9	641.3749	NA	PeJP	NA	NA
+3400	NA	WKVIP	641.377	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ088127	N-[N-[N-[(2,6-Dimethyl-1-piperidinyl)carbonyl]-4-methyl-L-leucyl]-1-(methoxycarbonyl)-D-tryptophyl]-D-norleucine 	C34H51N5O7	641.378849	NA	MeJP	NA	NA
+PJ011508	PLKER 	C28H51N9O8	641.3861	NA	PeJP	NA	NA
+PJ011509	PVLKW 	C33H51N7O6	641.3901	NA	PeJP	NA	NA
+PJ011510	PTLRR 	C27H51N11O7	641.3973	NA	PeJP	NA	NA
+MJ088128	Antibiotic SF 1902A3 	C31H55N5O9	641.399978	NA	MeJP	NA	NA
+PJ011511	APTLLK 	C30H55N7O8	641.4112	NA	PeJP	NA	NA
+PJ011512	GGGLLLL 	C30H55N7O8	641.4113	NA	PeJP	NA	NA
+PJ011513	LLLQR 	C29H55N9O7	641.4225	NA	PeJP	NA	NA
+PJ011514	VVLRR 	C28H55N11O6	641.4337	NA	PeJP	NA	NA
+MJ088129	Squalamine; 24-Desulfo, 24-ketone, 26-sulfooxy 	C34H63N3O6S	641.443757	NA	MeJP	NA	NA
+PJ011515	GVLLLK 	C31H59N7O7	641.4476	NA	PeJP	NA	NA
+PJ011516	LLLKR 	C30H59N9O6	641.4589	NA	PeJP	NA	NA
+MJ088130	Procidin S 735 	C33H63N5O7	641.472749	NA	MeJP	NA	NA
+C13845	1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol	C41H71NO4	641.5383	NA	KEGG	NA	NA
+MJ088131	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytricosanoyl) 	C39H79NO5	641.595824	NA	MeJP	NA	NA
+MJ088132	2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxy-22-methyltricosanoyl) 	C39H79NO5	641.595824	NA	MeJP	NA	NA
+2576	calreticulin	YQLLQELCCQHL	641.8365	MH2+	Inhouse_peptide	NA	peptide
+FL5FECGS0054	Quercetagetin 7-(6''-(E)-caffeoylglucoside);6-Hydroxyquercetin 7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3,5,6-trihydroxy-4H-1-benzopyran-4-one	C30H26O16	642.12208	869594-06-9	knapsack	NA	NA
+MJ088133	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[6-O-Acetyl-2-O-(3,4,5-trihydroxybenzoyl)-?-D-galactopyranoside] 	C30H27O16(+)	642.122084	NA	MeJP	NA	NA
+PJ011517	PCCCCD 	C21H34N6O9S4	642.127	NA	PeJP	NA	NA
+MJ088134	Triumbellatin; 7-Me ether, 7'-O-(6-deoxy-?-D-galactopyranoside) 	C34H26O13	642.13734	NA	MeJP	NA	NA
+FL5FAGGA0003	Myricetin 3,3'-digalactoside	C27H30O18	642.14321	28454-81-1	knapsack	NA	NA
+FL5FAGGL0004	Myricetin 3-glucoside-7-galactoside	C27H30O18	642.14321	106820-17-1	knapsack	NA	NA
+FL5FAGGL0005	Myricetin 3,7-diglucoside	C27H30O18	642.14321	72078-29-6	knapsack	NA	NA
+FL5FAGGL0006	Myricetin 3,4'-diglucoside;3-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)-3,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C27H30O18	642.14321	146501-37-3	knapsack	NA	NA
+FL5FECGL0002	Quercetagetin 3,7-diglucoside	C27H30O18	642.14321	65180-48-5	knapsack	NA	NA
+MJ088135	2',4',5,5',6,7-Hexahydroxyflavone; 2',6-Di-O-?-D-glucopyranoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088136	3,3',4',5,5',7-Hexahydroxyflavone; 3,3'-Di-O-galactoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088137	3,3',4',5,5',7-Hexahydroxyflavone; 3,4'-Di-O-?-D-glucopyranoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088138	3,3',4',5,5',7-Hexahydroxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088139	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside, 7-O-?-D-galactopyranoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088140	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088141	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Galactopyranosyl-(1??)-galactopyranoside] 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088142	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[Galactopyranosyl-(1??)-glucopyranoside] 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088143	3,3',4',5,6,7-Hexahydroxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+MJ088144	3,3',4',5,7,8-Hexahydroxyflavone; 3,8-Di-O-?-D-glucopyranoside 	C27H30O18	642.143214	NA	MeJP	NA	NA
+PJ011518	GCCDDM 	C21H34N6O11S3	642.1448	NA	PeJP	NA	NA
+PJ011519	SCCCNN 	C20H34N8O10S3	642.156	NA	PeJP	NA	NA
+MJ088145	Ergochromes; Ergochrome CD 	C31H30O15	642.15847	NA	MeJP	NA	NA
+PJ011520	CCCEW 	C25H34N6O8S3	642.1601	NA	PeJP	NA	NA
+PJ011521	SSCCDE 	C21H34N6O13S2	642.1625	NA	PeJP	NA	NA
+PJ011522	SPCCCM 	C22H38N6O8S4	642.1634	NA	PeJP	NA	NA
+MJ088146	3',4',4''',5,5'',7''-Hexahydroxy-8,3'''-biflavanone, 5''',7-Dimethoxy, 4''',7''-di-Me ether, 3',4'-methylene ether 	C35H30O12	642.173726	NA	MeJP	NA	NA
+MJ088147	Hydnowightin 	C35H30O12	642.173726	NA	MeJP	NA	NA
+MJ088148	1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H34O17	642.179599	NA	MeJP	NA	NA
+PJ011523	GSCDMM 	C22H38N6O10S3	642.1812	NA	PeJP	NA	NA
+MJ088149	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2,9-Tris(3-furancarbonyl), 14-Ac 	C32H34O14	642.194855	NA	MeJP	NA	NA
+MJ088150	2,5,6-Trihydroxy-9-phenyl-1H-phenalen-1-one; 5-Me ether, 2-?-cellobioside 	C32H34O14	642.194855	NA	MeJP	NA	NA
+C09932	Haemocorin	C32H34O14	642.1949	NA	KEGG	NA	NA
+PJ011524	CNDEY 	C25H34N6O12S	642.1956	NA	PeJP	NA	NA
+PJ011525	TCCMW 	C26H38N6O7S3	642.1964	NA	PeJP	NA	NA
+PJ011526	SSSCEM 	C22H38N6O12S2	642.1989	NA	PeJP	NA	NA
+PJ011527	CQMMM 	C23H42N6O7S4	642.1998	NA	PeJP	NA	NA
+PJ011528	GSCCHH 	C23H34N10O8S2	642.2003	NA	PeJP	NA	NA
+PJ011529	GPCDDH 	C24H34N8O11S	642.2068	NA	PeJP	NA	NA
+MJ088151	6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,11,12,14-Penta-Ac 	C30H39ClO13	642.207919	NA	MeJP	NA	NA
+PJ011530	GCDYW 	C29H34N6O9S	642.2108	NA	PeJP	NA	NA
+PJ011531	CCMMR 	C22H42N8O6S4	642.211	NA	PeJP	NA	NA
+PJ011532	GSSDDY 	C25H34N6O14	642.2133	NA	PeJP	NA	NA
+PJ011533	GPTCCY 	C26H38N6O9S2	642.2142	NA	PeJP	NA	NA
+FL64AAGM0001	Triphyllin B	C29H38O16	642.21598	101395-03-3	knapsack	NA	NA
+MJ088152	2',3',4',5',7-Pentahydroxyisoflavan, 3',4'-Di-Me ether, 2',5'-di-O-?-D-glucopyranoside 	C29H38O16	642.215985	NA	MeJP	NA	NA
+MJ088153	3,3',4,4',5,7-Hexahydroxyflavan, 4',7-Di-Me ether, 3-O-rutinoside 	C29H38O16	642.215985	NA	MeJP	NA	NA
+MJ088154	4,4',5,7-Tetrahydroxy-6-hydroxymethyl-8-methylflavan, 5,7-Di-O-?-D-glucopyranoside 	C29H38O16	642.215985	NA	MeJP	NA	NA
+MJ088155	Bruceolide; 15-Ac, 3-O-?-D-glucopyranoside 	C29H38O16	642.215985	NA	MeJP	NA	NA
+MJ088156	Bruceosin; 15-Deacyl, 15-Ac, 2-O-?-D-glucopyranoside 	C29H38O16	642.215985	NA	MeJP	NA	NA
+PJ011534	GSSMMM 	C23H42N6O9S3	642.2176	NA	PeJP	NA	NA
+PJ011535	NDEEH 	C24H34N8O13	642.2246	NA	PeJP	NA	NA
+PJ011536	CCDFR 	C25H38N8O8S2	642.2254	NA	PeJP	NA	NA
+PJ011537	GCMFW 	C30H38N6O6S2	642.2294	NA	PeJP	NA	NA
+MJ088157	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-[4-hydroxybenzoyl-(?2)-?-D-glucopyranoside] 	C33H38O13	642.231241	NA	MeJP	NA	NA
+MJ088158	Auramycin C; De(dimethylamino) 	C33H38O13	642.231241	NA	MeJP	NA	NA
+PJ011538	SNEMY 	C26H38N6O11S	642.2319	NA	PeJP	NA	NA
+PJ011539	GGSEMY 	C26H38N6O11S	642.232	NA	PeJP	NA	NA
+PJ011540	SSSTMM 	C23H42N6O11S2	642.2353	NA	PeJP	NA	NA
+PJ011541	GSNNDH 	C23H34N10O12	642.2358	NA	PeJP	NA	NA
+PJ011542	CKMMM 	C24H46N6O6S4	642.2362	NA	PeJP	NA	NA
+PJ011543	GDEHW 	C28H34N8O10	642.2398	NA	PeJP	NA	NA
+PJ011544	SCDRY 	C25H38N8O10S	642.2432	NA	PeJP	NA	NA
+MJ088159	6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-3,5(16)-briaradien-18,7-olide; 3,4-Dihydro, O-(3-methylbutanoyl), tri-Ac 	C31H43ClO12	642.244304	NA	MeJP	NA	NA
+MJ088160	6-Chloro-11,20-epoxy-2,8,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 14-(2-Methylbutanoyl), 2,9,12-tri-Ac 	C31H43ClO12	642.244304	NA	MeJP	NA	NA
+PJ011545	GSMYW 	C30H38N6O8S	642.2472	NA	PeJP	NA	NA
+MJ088161	4,4''-Bi(N-4-hydroxycinnamoylserotonin) 	C38H34N4O6	642.247834	NA	MeJP	NA	NA
+PJ011546	GSSTEY 	C26H38N6O13	642.2497	NA	PeJP	NA	NA
+PJ011547	AQMMY 	C27H42N6O8S2	642.2506	NA	PeJP	NA	NA
+PJ011548	NNQMH 	C24H38N10O9S	642.2544	NA	PeJP	NA	NA
+PJ011549	DHWW 	C32H34N8O7	642.2551	NA	PeJP	NA	NA
+MJ088162	1,8,9,14-Tetrahydroxydihydro-?-agarofuran, 9,14-Bis-(3-pyridinecarbonyl), 8-benzoyl, 1-Ac 	C36H38N2O9	642.25773	NA	MeJP	NA	NA
+MJ088163	Cannabisin E 	C36H38N2O9	642.25773	NA	MeJP	NA	NA
+PJ011550	PTCHW 	C29H38N8O7S	642.2584	NA	PeJP	NA	NA
+PJ011551	TQEEH 	C25H38N8O12	642.2609	NA	PeJP	NA	NA
+PJ011552	GATEEH 	C25H38N8O12	642.261	NA	PeJP	NA	NA
+PJ011553	ACMRY 	C26H42N8O7S2	642.2618	NA	PeJP	NA	NA
+PJ011554	SSTYW 	C30H38N6O10	642.2649	NA	PeJP	NA	NA
+PJ011555	PPDEW 	C30H38N6O10	642.265	NA	PeJP	NA	NA
+PJ011556	CNNHR 	C23H38N12O8S	642.2656	NA	PeJP	NA	NA
+PJ011557	GGCNHR 	C23H38N12O8S	642.2657	NA	PeJP	NA	NA
+MJ088164	Rohituka substance 7; 12-Deacyl, 12-(3-methylbutanoyl) 	C34H42O12	642.267626	NA	MeJP	NA	NA
+PJ011558	SDKMY 	C27H42N6O10S	642.2683	NA	PeJP	NA	NA
+PJ011559	SDEHR 	C24H38N10O11	642.2722	NA	PeJP	NA	NA
+PJ011560	PCMHR 	C25H42N10O6S2	642.2731	NA	PeJP	NA	NA
+PJ011561	ATEHW 	C29H38N8O9	642.2762	NA	PeJP	NA	NA
+PJ011562	SSMRY 	C26H42N8O9S	642.2796	NA	PeJP	NA	NA
+PJ011563	QFYW 	C34H38N6O7	642.2802	NA	PeJP	NA	NA
+PJ011564	AQMFF 	C31H42N6O7S	642.2836	NA	PeJP	NA	NA
+MJ088165	N-[4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-3-[[4-methyl-3,6-dioxo-5-(phenylmethylene)piperazinylidene]methyl]benzamide 	C39H38N4O5	642.28422	NA	MeJP	NA	NA
+PJ011565	SSSSLY 	C27H42N6O12	642.2861	NA	PeJP	NA	NA
+PJ011566	AKMMY 	C28H46N6O7S2	642.287	NA	PeJP	NA	NA
+MJ088166	2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl)-(?4)]-?-D-glucopyranoside] 	C31H46O14	642.288756	NA	MeJP	NA	NA
+MJ088167	2,6-Dimethyl-7-octene-2,3,6-triol; 6-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-Z-cinnamoyl)-(?4)]-?-D-glucopyranoside] 	C31H46O14	642.288756	NA	MeJP	NA	NA
+MJ088168	3,7-Dimethyl-2-octene-1,6,7-triol, 1-O-[?-L-Rhamnopyranosyl-(1?3)[4-hydroxycinnamoyl(?4)]-?-D-glucopyranoside] 	C31H46O14	642.288756	NA	MeJP	NA	NA
+PJ011567	AEMHR 	C25H42N10O8S	642.2908	NA	PeJP	NA	NA
+PJ011568	GPHFW 	C33H38N8O6	642.2915	NA	PeJP	NA	NA
+PJ011569	GLMHW 	C30H42N8O6S	642.2948	NA	PeJP	NA	NA
+PJ011570	TKEEH 	C26H42N8O11	642.2973	NA	PeJP	NA	NA
+PJ011571	GGGGGPLE 	C26H42N8O11	642.2974	NA	PeJP	NA	NA
+PJ011572	PKMMH 	C27H46N8O6S2	642.2982	NA	PeJP	NA	NA
+PJ011573	VNHHH 	C27H38N12O7	642.2987	NA	PeJP	NA	NA
+PJ011574	GLQYY 	C31H42N6O9	642.3013	NA	PeJP	NA	NA
+PJ011575	GGALYY 	C31H42N6O9	642.3014	NA	PeJP	NA	NA
+MJ088169	Dumsin 	C35H46O11	642.304012	NA	MeJP	NA	NA
+MJ088170	Nimbolidin A; 7-Deacyl, 7-(2-methyl-2-propenoyl), 11-O-de-Ac 	C35H46O11	642.304012	NA	MeJP	NA	NA
+MJ088171	Spirosendan 	C35H46O11	642.304012	NA	MeJP	NA	NA
+MJ088172	Trichoverritone 	C35H46O11	642.304012	NA	MeJP	NA	NA
+PJ011576	TTKMY 	C28H46N6O9S	642.3047	NA	PeJP	NA	NA
+PJ011577	TTEHR 	C25H42N10O10	642.3086	NA	PeJP	NA	NA
+PJ011578	GHHHR 	C26H38N14O6	642.3099	NA	PeJP	NA	NA
+PJ011579	STLHW 	C30H42N8O8	642.3126	NA	PeJP	NA	NA
+PJ011580	VKEMH 	C27H46N8O8S	642.316	NA	PeJP	NA	NA
+PJ011581	KFYW 	C35H42N6O6	642.3166	NA	PeJP	NA	NA
+MJ088173	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dicinnamoyl 	C39H46O8	642.319268	NA	MeJP	NA	NA
+MJ088174	Vilasinin; 7-Cinnamoyl, 1,3-di-Ac 	C39H46O8	642.319268	NA	MeJP	NA	NA
+PJ011582	PPLMW 	C32H46N6O6S	642.32	NA	PeJP	NA	NA
+PJ011583	GPVLEE 	C28H46N6O11	642.3225	NA	PeJP	NA	NA
+PJ011584	GPQRW 	C29H42N10O7	642.3238	NA	PeJP	NA	NA
+MJ088175	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C32H50O13	642.325141	NA	MeJP	NA	NA
+MJ088176	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H50O13	642.325141	NA	MeJP	NA	NA
+MJ088177	15-Hydroxy-16-kauren-19-oic acid, O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C32H50O13	642.325141	NA	MeJP	NA	NA
+MJ088178	19-Hydroxy-8(17),13-labdadien-15,16-olide; ?-Cellobioside 	C32H50O13	642.325141	NA	MeJP	NA	NA
+MJ088179	Antibiotic 15G256? 	C33H46N4O9	642.326479	NA	MeJP	NA	NA
+3795	NA	WWPR~	642.327	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ011585	SLMHR 	C26H46N10O7S	642.3272	NA	PeJP	NA	NA
+PJ011586	PLEER 	C27H46N8O10	642.3337	NA	PeJP	NA	NA
+PJ011587	PPHHR 	C28H42N12O6	642.3351	NA	PeJP	NA	NA
+PJ011588	PVLEW 	C32H46N6O8	642.3377	NA	PeJP	NA	NA
+MJ088180	Huratoxin; 12?-Acetoxy 	C36H50O10	642.340397	NA	MeJP	NA	NA
+MJ088181	Sodagnitin E; 3-Ketone, 2-(3-hydroxy-3-methylglutaroyl) 	C36H50O10	642.340397	NA	MeJP	NA	NA
+MetaCyc04005	2,3,16-triacetate-15-oxo-23,24-dihydroxycucurbitacin []	C36H50O10	642.340398	NA	metacyc	NA	NA
+PJ011589	SPPVLM 	C29H50N6O8S	642.3411	NA	PeJP	NA	NA
+PJ011590	PNKER 	C26H46N10O9	642.3449	NA	PeJP	NA	NA
+PJ011591	GGPKER 	C26H46N10O9	642.345	NA	PeJP	NA	NA
+PJ011592	PVNKW 	C31H46N8O7	642.349	NA	PeJP	NA	NA
+PJ011593	APPCKK 	C28H50N8O7S	642.3523	NA	PeJP	NA	NA
+PJ011594	SPQRR 	C25H46N12O8	642.3562	NA	PeJP	NA	NA
+MJ088182	Macrocarpamine 	C41H46N4O3	642.356991	NA	MeJP	NA	NA
+MJ088183	Tenuicausine 	C41H46N4O3	642.356991	NA	MeJP	NA	NA
+PJ011595	APTLLE 	C29H50N6O10	642.3589	NA	PeJP	NA	NA
+PJ011596	GPKRW 	C30H46N10O6	642.3602	NA	PeJP	NA	NA
+MJ088184	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 22-O-?-D-Galactopyranoside 	C33H54O12	642.361527	NA	MeJP	NA	NA
+MJ088185	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Glucopyranoside 	C33H54O12	642.361527	NA	MeJP	NA	NA
+MJ088186	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Galactopyranoside 	C33H54O12	642.361527	NA	MeJP	NA	NA
+MJ088187	Amphidinolide N 	C33H54O12	642.361527	NA	MeJP	NA	NA
+MJ088188	Chainin; Stereoisomer, 1',14-dihydroxy 	C33H54O12	642.361527	NA	MeJP	NA	NA
+MJ088189	Spirostane-1,2,3,4,5-pentol, 5-O-?-D-Glucopyranoside 	C33H54O12	642.361527	NA	MeJP	NA	NA
+MJ088190	3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginylsuccinoyl) 	C34H50N4O8	642.362864	NA	MeJP	NA	NA
+PJ011597	CKKKH 	C27H50N10O6S	642.3636	NA	PeJP	NA	NA
+PJ011598	AAPKKE 	C28H50N8O9	642.3701	NA	PeJP	NA	NA
+MJ088191	Glabrin A 	C33H50N6O7	642.374097	NA	MeJP	NA	NA
+PJ011599	GPPLLF 	C33H50N6O7	642.3741	NA	PeJP	NA	NA
+MJ088192	Onchitriol I; 13-Propanoyl, 15-Ac 	C37H54O9	642.376783	NA	MeJP	NA	NA
+MJ088193	Onchitriol I; 15-Propanoyl, 13-Ac 	C37H54O9	642.376783	NA	MeJP	NA	NA
+PJ011600	GPLLLM 	C30H54N6O7S	642.3775	NA	PeJP	NA	NA
+3615	NA	RNVRV	642.3809	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ011601	PDKKR 	C27H50N10O8	642.3813	NA	PeJP	NA	NA
+PJ011602	GGGALLR 	C27H50N10O8	642.3814	NA	PeJP	NA	NA
+PJ011603	VLKHF 	C32H50N8O6	642.3854	NA	PeJP	NA	NA
+PJ011604	SPKRR 	C26H50N12O7	642.3926	NA	PeJP	NA	NA
+PJ011605	SPTLLL 	C30H54N6O9	642.3952	NA	PeJP	NA	NA
+PJ011606	GVLLLE 	C30H54N6O9	642.3953	NA	PeJP	NA	NA
+MJ088194	Ergost-24(28)-ene-3,4,6,8,15,16,26-heptol, 3-O-(2-O-Methyl-?-D-xylopyranoside) 	C34H58O11	642.397912	NA	MeJP	NA	NA
+MJ088195	Monensin; 2-Demethylmonensin B 	C34H58O11	642.397912	NA	MeJP	NA	NA
+MJ088196	Monensin; Monensin B, 3-O-De-Me 	C34H58O11	642.397912	NA	MeJP	NA	NA
+PJ011607	GVRRR 	C25H50N14O6	642.4038	NA	PeJP	NA	NA
+PJ011608	LLLER 	C29H54N8O8	642.4065	NA	PeJP	NA	NA
+PJ011609	VLLLW 	C34H54N6O6	642.4105	NA	PeJP	NA	NA
+MJ088197	3-Hydroxy-24-methyllanosta-8,23,25-trien-21-oic acid, 3-Ac, 21-O-?-D-xylopyranosyl ester 	C38H58O8	642.413168	NA	MeJP	NA	NA
+PJ011610	RRRR 	C24H50N16O5	642.415	NA	PeJP	NA	NA
+PJ011611	VLQKR 	C28H54N10O7	642.4177	NA	PeJP	NA	NA
+MJ088198	Agelaxanthin C; 19-Me ether 	C42H58O5	642.428424	NA	MeJP	NA	NA
+MJ088199	Neoxanthin; 3-Ac 	C42H58O5	642.428424	NA	MeJP	NA	NA
+PJ011612	ALKRR 	C27H54N12O6	642.429	NA	PeJP	NA	NA
+PJ011613	ATLLLL 	C31H58N6O8	642.4316	NA	PeJP	NA	NA
+MJ088200	Ferensimycin B 	C35H62O10	642.434298	NA	MeJP	NA	NA
+PJ011614	AALLKK 	C30H58N8O7	642.4429	NA	PeJP	NA	NA
+PJ011615	VLKKR 	C29H58N10O6	642.4541	NA	PeJP	NA	NA
+MJ088201	Ingenol; 20-Eicosanoyl 	C40H66O6	642.485939	NA	MeJP	NA	NA
+MJ088202	Pleuromutilin; 1'-O-(9-Octadecenoyl) 	C40H66O6	642.485939	NA	MeJP	NA	NA
+MJ088203	Werneria hemiacetal 	C40H66O6	642.485939	NA	MeJP	NA	NA
+HMDB07119	DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07120	DG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07147	DG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07172	DG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07199	DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07200	DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07228	DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07229	DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07255	DG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07256	DG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07283	DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07312	DG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07340	DG(18:4(6Z,9Z,12Z,15Z)/20:1(11Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07396	DG(20:1(11Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07423	DG(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07424	DG(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07451	DG(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07480	DG(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07507	DG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07508	DG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07536	DG(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07537	DG(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07564	DG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07679	DG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07707	DG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB07736	DG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/0:0)	C41H70O5	642.522339	NA	HMDB2010	NA	NA
+HMDB05231	DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C41H70O5	642.52234	http://www.hmdb.ca/metabolites/HMDB05231	HMDB	NA	NA
+HMDB05231	DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C41H70O5	642.52234	HMDB05231	PFEM_hmdb_metabocards_official	NA	NA
+MJ088204	3-(4-Hydroxyphenyl)-1-propanol; 1-Tetratriacontanoyl 	C43H78O3	642.595096	NA	MeJP	NA	NA
+2636	synthetic fr, of human beta-CN (42-52) ACE inhibitor	PSFQPQPLIYP	642.8275	MH2+	Inhouse_peptide	NA	peptide
+MJ088205	Pseudoceratidine 	C17H21Br4N5O2	642.842875	NA	MeJP	NA	NA
+PJ011616	SCCCND 	C20H33N7O11S3	643.14	NA	PeJP	NA	NA
+PJ011617	GGSCCCD 	C20H33N7O11S3	643.1401	NA	PeJP	NA	NA
+PJ011618	GCCCQM 	C21H37N7O8S4	643.1587	NA	PeJP	NA	NA
+PJ011619	GCCCCR 	C20H37N9O7S4	643.1699	NA	PeJP	NA	NA
+MJ088206	Geodiamolide R 	C27H38IN3O7	643.175444	NA	MeJP	NA	NA
+PJ011620	SSCCNM 	C21H37N7O10S3	643.1764	NA	PeJP	NA	NA
+PJ011621	CDDEY 	C25H33N5O13S	643.1796	NA	PeJP	NA	NA
+PJ011622	CEMMM 	C23H41N5O8S4	643.1838	NA	PeJP	NA	NA
+PJ011623	GSSSTCC 	C21H37N7O12S2	643.1942	NA	PeJP	NA	NA
+PJ011624	GCCCKM 	C22H41N7O7S4	643.1951	NA	PeJP	NA	NA
+PJ011625	CDEMF 	C26H37N5O10S2	643.1982	NA	PeJP	NA	NA
+PJ011626	DDEEH 	C24H33N7O14	643.2086	NA	PeJP	NA	NA
+PJ011627	CNNMY 	C25H37N7O9S2	643.2094	NA	PeJP	NA	NA
+PJ011628	SSSSSSC 	C21H37N7O14S	643.2119	NA	PeJP	NA	NA
+PJ011629	STCCCK 	C22H41N7O9S3	643.2128	NA	PeJP	NA	NA
+PJ011630	SDEMY 	C26H37N5O12S	643.216	NA	PeJP	NA	NA
+PJ011631	PCMMY 	C27H41N5O7S3	643.2168	NA	PeJP	NA	NA
+PJ011632	GSNDDH 	C23H33N9O13	643.2198	NA	PeJP	NA	NA
+PJ011633	TMMMM 	C24H45N5O7S4	643.2202	NA	PeJP	NA	NA
+PJ011634	GPCCQH 	C24H37N9O8S2	643.2207	NA	PeJP	NA	NA
+MJ088207	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-(3-furancarbonyl), 2,6,14-tri-Ac 	C32H37NO13	643.22649	NA	MeJP	NA	NA
+MJ088208	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(3-furancarbonyl), 2,6,14-tri-Ac 	C32H37NO13	643.22649	NA	MeJP	NA	NA
+MJ088209	Nemorubicin 	C32H37NO13	643.22649	NA	MeJP	NA	NA
+PJ011635	GSSCQY 	C25H37N7O11S	643.2272	NA	PeJP	NA	NA
+PJ011636	PCDFY 	C30H37N5O9S	643.2312	NA	PeJP	NA	NA
+PJ011637	AEMMY 	C27H41N5O9S2	643.2346	NA	PeJP	NA	NA
+PJ011638	NNEMH 	C24H37N9O10S	643.2384	NA	PeJP	NA	NA
+PJ011639	CNNFF 	C29H37N7O8S	643.2425	NA	PeJP	NA	NA
+PJ011640	SSSSNY 	C25H37N7O13	643.2449	NA	PeJP	NA	NA
+PJ011641	GGSSSSY 	C25H37N7O13	643.245	NA	PeJP	NA	NA
+PJ011642	CCQKY 	C26H41N7O8S2	643.2458	NA	PeJP	NA	NA
+PJ011643	SPDYY 	C30H37N5O11	643.249	NA	PeJP	NA	NA
+PJ011644	CNDHR 	C23H37N11O9S	643.2497	NA	PeJP	NA	NA
+PJ011645	PCMFF 	C31H41N5O6S2	643.2498	NA	PeJP	NA	NA
+PJ011646	TTEMY 	C27H41N5O11S	643.2523	NA	PeJP	NA	NA
+PJ011647	CLMMF 	C28H45N5O6S3	643.2532	NA	PeJP	NA	NA
+PJ011648	GNMHW 	C28H37N9O7S	643.2537	NA	PeJP	NA	NA
+PJ011649	GSSQEH 	C24H37N9O12	643.2562	NA	PeJP	NA	NA
+PJ011650	GPCCKH 	C25H41N9O7S2	643.2571	NA	PeJP	NA	NA
+PJ011651	GNQYY 	C29H37N7O10	643.2602	NA	PeJP	NA	NA
+MJ088210	Carminomycin II; 11-Deoxy 	C33H41NO12	643.262875	NA	MeJP	NA	NA
+PJ011652	GSSCKY 	C26H41N7O10S	643.2636	NA	PeJP	NA	NA
+PJ011653	EFYW 	C34H37N5O8	643.2642	NA	PeJP	NA	NA
+PJ011654	APMYY 	C31H41N5O8S	643.2676	NA	PeJP	NA	NA
+PJ011655	SLMMY 	C28H45N5O8S2	643.271	NA	PeJP	NA	NA
+PJ011656	SSQHW 	C28H37N9O9	643.2714	NA	PeJP	NA	NA
+PJ011657	GGSTHW 	C28H37N9O9	643.2715	NA	PeJP	NA	NA
+3703	NA	VTDFY	643.2729	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ011658	GPPCDR 	C25H41N9O9S	643.2748	NA	PeJP	NA	NA
+PJ011659	PPNMW 	C30H41N7O7S	643.2788	NA	PeJP	NA	NA
+PJ011660	GGPPMW 	C30H41N7O7S	643.2789	NA	PeJP	NA	NA
+PJ011661	SSPPQE 	C26H41N7O12	643.2813	NA	PeJP	NA	NA
+PJ011662	AAPQEE 	C26H41N7O12	643.2814	NA	PeJP	NA	NA
+PJ011663	CCKKY 	C27H45N7O7S2	643.2822	NA	PeJP	NA	NA
+PJ011664	VDHHH 	C27H37N11O8	643.2827	NA	PeJP	NA	NA
+PJ011665	GLEYY 	C31H41N5O10	643.2854	NA	PeJP	NA	NA
+PJ011666	SNMHR 	C24H41N11O8S	643.286	NA	PeJP	NA	NA
+PJ011667	GGSMHR 	C24H41N11O8S	643.2861	NA	PeJP	NA	NA
+PJ011668	GHHFF 	C32H37N9O6	643.2867	NA	PeJP	NA	NA
+PJ011669	ACKHW 	C29H41N9O6S	643.2901	NA	PeJP	NA	NA
+PJ011670	PNEER 	C25H41N9O11	643.2926	NA	PeJP	NA	NA
+MJ088211	N-(1,1-Dimethylethyl)-4-[[5'-ethoxy-4-[2-(4-morpholinyl)ethoxy]-2-oxospiro[cyclohexane-1,3'-[3H]indol]-1'(2'H)-yl]sulfonyl]-3-methoxybenzamide 	C33H45N3O8S	643.292736	NA	MeJP	NA	NA
+PJ011671	PVNEW 	C30H41N7O9	643.2966	NA	PeJP	NA	NA
+PJ011672	GPPDKM 	C27H45N7O9S	643.3	NA	PeJP	NA	NA
+PJ011673	LYYW 	C35H41N5O7	643.3006	NA	PeJP	NA	NA
+PJ011674	GSSTHR 	C24H41N11O10	643.3038	NA	PeJP	NA	NA
+PJ011675	ALMFY 	C32H45N5O7S	643.304	NA	PeJP	NA	NA
+PJ011676	GPERW 	C29H41N9O8	643.3078	NA	PeJP	NA	NA
+PJ011677	GSPPMR 	C26H45N9O8S	643.3112	NA	PeJP	NA	NA
+PJ011678	GPVWW 	C34H41N7O6	643.3119	NA	PeJP	NA	NA
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	HMDB	NA	NA
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	Inhouse_PFEM	NA	NA
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR164	Glutathione-prostaglandinA1	C20H32O4. C10H17N3O6S	643.313869	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR164	gsh-prostaglandinA1	C20H32O4. C10H17N3O6S	643.3139	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR164	gsh-prostaglandinA1	C20H32O4. C10H17N3O6S	643.3139	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR164	gsh-prostaglandinA1	C20H32O4. C10H17N3O6S	643.3139	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR164	gsh-prostaglandinA1	C20H32O4. C10H17N3O6S	643.3139	Wishlist	Inhousejuil11	NA	NA
+C11304	S-(PGA1)-glutathione	C30H49N3O10S	643.3139	NA	KEGG	NA	NA
+C11367	Gsh-prostaglandin A1	C20H32O4	643.3139	NA	KEGG	NA	NA
+PJ011679	PLMHF 	C31H45N7O6S	643.3152	NA	PeJP	NA	NA
+PJ011680	AAPKEE 	C27H45N7O11	643.3177	NA	PeJP	NA	NA
+PJ011681	LLMMH 	C28H49N7O6S2	643.3186	NA	PeJP	NA	NA
+PJ011682	GQHFR 	C28H41N11O7	643.3191	NA	PeJP	NA	NA
+PJ011683	SVLYY 	C32H45N5O9	643.3217	NA	PeJP	NA	NA
+PJ011684	TCKHR 	C25H45N11O7S	643.3224	NA	PeJP	NA	NA
+2819	PEP inhibitor	PRPQPHPQPHP	643.3225	MH2+	Inhouse_peptide	NA	peptide
+PJ011685	PRWW 	C33H41N9O5	643.3231	NA	PeJP	NA	NA
+MJ088212	Paromomycin; 2'-N-Et 	C25H49N5O14	643.327601	NA	MeJP	NA	NA
+PJ011686	PDKER 	C26H45N9O10	643.329	NA	PeJP	NA	NA
+PJ011687	PVDKW 	C31H45N7O8	643.333	NA	PeJP	NA	NA
+MJ088213	Destruxin A4; 4'-Hydroxy, 5'-chloro 	C30H50ClN5O8	643.334791	NA	MeJP	NA	NA
+MJ088214	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-methoxybenzoyl), 8-Ac 	C35H49NO10	643.335646	NA	MeJP	NA	NA
+MJ088215	Zygadenine; O3-(4-Hydroxy-3-methoxybenzoyl) 	C35H49NO10	643.335646	NA	MeJP	NA	NA
+PJ011688	APPTKM 	C28H49N7O8S	643.3364	NA	PeJP	NA	NA
+PJ011689	ALFFF 	C36H45N5O6	643.337	NA	PeJP	NA	NA
+PJ011690	SPERR 	C25H45N11O9	643.3402	NA	PeJP	NA	NA
+PJ011691	SPVRW 	C30H45N9O7	643.3442	NA	PeJP	NA	NA
+PJ011692	PLQMR 	C27H49N9O7S	643.3476	NA	PeJP	NA	NA
+PJ011693	GQQRR 	C24H45N13O8	643.3514	NA	PeJP	NA	NA
+PJ011694	GGGAARR 	C24H45N13O8	643.3515	NA	PeJP	NA	NA
+PJ011695	GPTLKE 	C28H49N7O10	643.3541	NA	PeJP	NA	NA
+PJ011696	GKHFR 	C29H45N11O6	643.3555	NA	PeJP	NA	NA
+PJ011697	PCLRR 	C26H49N11O6S	643.3588	NA	PeJP	NA	NA
+PJ011698	LLNER 	C27H49N9O9	643.3653	NA	PeJP	NA	NA
+PJ011699	VLQER 	C27H49N9O9	643.3654	NA	PeJP	NA	NA
+PJ011700	PTLKW 	C32H49N7O7	643.3694	NA	PeJP	NA	NA
+MJ088216	Ganefromycin ? 	C36H53NO9	643.372032	NA	MeJP	NA	NA
+PJ011701	GPVLKM 	C29H53N7O7S	643.3728	NA	PeJP	NA	NA
+PJ011702	ALERR 	C26H49N11O8	643.3766	NA	PeJP	NA	NA
+PJ011703	GLLRW 	C31H49N9O6	643.3806	NA	PeJP	NA	NA
+PJ011704	PLKMR 	C28H53N9O6S	643.384	NA	PeJP	NA	NA
+PJ011705	GQKRR 	C25H49N13O7	643.3878	NA	PeJP	NA	NA
+2885	nocistatin	KQKLQ	643.388	celiac toxic	Inhouse_peptide	NA	peptide
+PJ011706	AALLKE 	C29H53N7O9	643.3905	NA	PeJP	NA	NA
+MJ088217	Nephilatoxin 9 	C30H49N11O5	643.391813	NA	MeJP	NA	NA
+PJ011707	VLKER 	C28H53N9O8	643.4017	NA	PeJP	NA	NA
+PJ011708	GGAALKK 	C28H53N9O8	643.4018	NA	PeJP	NA	NA
+PJ011709	VVLKW 	C33H53N7O6	643.4058	NA	PeJP	NA	NA
+PJ011710	SLLRR 	C27H53N11O7	643.413	NA	PeJP	NA	NA
+MJ088218	Pepstatins; Pepstatin AC 	C31H57N5O9	643.415628	NA	MeJP	NA	NA
+MJ088219	Nephilatoxin 643 	C32H53N9O5	643.416965	NA	MeJP	NA	NA
+PJ011711	GKKRR 	C26H53N13O6	643.4242	NA	PeJP	NA	NA
+PJ011712	GTLLLK 	C30H57N7O8	643.4269	NA	PeJP	NA	NA
+MJ088220	Dolastatin C 	C35H57N5O6	643.430884	NA	MeJP	NA	NA
+PJ011713	LQKKK 	C29H57N9O7	643.4381	NA	PeJP	NA	NA
+MJ088221	Squalamine; 12?-Hydroxy 	C34H65N3O6S	643.459407	NA	MeJP	NA	NA
+MJ088222	Squalamine; 24-O-Desulfo, 26-sulfooxy 	C34H65N3O6S	643.459407	NA	MeJP	NA	NA
+PJ011714	LKKKK 	C30H61N9O6	643.4745	NA	PeJP	NA	NA
+HMDB04969	Glucosylceramide (d18:1/12:0)	C36H69NO8	643.502319	NA	HMDB2010	NA	NA
+HMDB12320	Galactosylceramide (d18:1/12:0)	C36H69NO8	643.502319	NA	HMDB2010	NA	NA
+HMDB04969	Glucosylceramide (d18:1/12:0)	C36H69NO8	643.50232	http://www.hmdb.ca/metabolites/HMDB04969	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04969	Glucosylceramide (d18:1/12:0)	C36H69NO8	643.50232	http://www.hmdb.ca/metabolites/HMDB04969	HMDB	NA	NA
+HMDB04969	Glucosylceramide (d18:1/12:0)	C36H69NO8	643.50232	http://www.hmdb.ca/metabolites/HMDB04969	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04969	Glucosylceramide (d18:1/12:0)	C36H69NO8	643.50232	HMDB04969	PFEM_hmdb_metabocards_official	NA	NA
+MJ088223	Rubrolide G; 2-Chloro 	C17H9Br4ClO5	643.687201	NA	MeJP	NA	NA
+HMDB04249	Phosphatidylinositol-3,4,5-trisphosphate	C12H24O22P4	643.970947	NA	HMDB2010	NA	NA
+MJ088224	Cefmepidium(1+); Chloride 	C23H25ClN6O8S3	644.058451	NA	MeJP	NA	NA
+MJ088225	2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 6-O-(3,4-Dihydroxy-E-cinnamoyl) 	C29H24O17	644.101349	NA	MeJP	NA	NA
+MJ088226	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(3,4-Dihydroxy-E-cinnamoyl) 	C29H24O17	644.101349	NA	MeJP	NA	NA
+MJ088227	Luteolic acid; Diglucoside 	C26H28O19	644.122478	NA	MeJP	NA	NA
+PJ011715	SCCCDD 	C20H32N6O12S3	644.1241	NA	PeJP	NA	NA
+MetaCyc04006	factor &gamma;-F420-1 [coenzyme &gamma;-F420-1;]	C24H29N4O15P1	644.136703	NA	metacyc	NA	NA
+PJ011716	GCCCEM 	C21H36N6O9S4	644.1427	NA	PeJP	NA	NA
+PJ011717	CCCMW 	C25H36N6O6S4	644.1579	NA	PeJP	NA	NA
+PJ011718	SSCCDM 	C21H36N6O11S3	644.1604	NA	PeJP	NA	NA
+MJ088228	Diphyllin; O-[?-D-Xylopyranosyl-(1?2)-?-D-apiofuranoside] 	C31H32O15	644.17412	NA	MeJP	NA	NA
+PJ011719	GPCCCY 	C25H36N6O8S3	644.1757	NA	PeJP	NA	NA
+MJ088229	Maduraferrin 	C26H34FeN7O9	644.176742	NA	MeJP	NA	NA
+PJ011720	GTCCMM 	C22H40N6O8S4	644.1791	NA	PeJP	NA	NA
+MJ088230	Ovigeridimerine 	C37H28N2O9	644.17948	NA	MeJP	NA	NA
+PJ011721	CNDMY 	C25H36N6O10S2	644.1935	NA	PeJP	NA	NA
+MJ088231	2-Hydroxybenzyl 2,3,4,6-tetrahydroxybenzoate; 2,6-Di-Me ether, 2',3-di-O-?-D-glucopyranoside 	C28H36O17	644.195249	NA	MeJP	NA	NA
+PJ011722	SSSCMM 	C22H40N6O10S3	644.1968	NA	PeJP	NA	NA
+MJ088232	26,27-Dinorergost-22-ene-2,3,6-triol, Tri-O-sulfate 	C26H44O12S3	644.199488	NA	MeJP	NA	NA
+MJ088233	27-Norcholest-25-ene-2,3,6-triol, Tri-O-sulfate 	C26H44O12S3	644.199488	NA	MeJP	NA	NA
+PJ011723	GSDDDH 	C23H32N8O14	644.2038	NA	PeJP	NA	NA
+MJ088234	Sorocenol D, 2'',3''-Dihydro, 3''-hydroxy 	C39H32O9	644.204632	NA	MeJP	NA	NA
+PJ011724	GPCCEH 	C24H36N8O9S2	644.2047	NA	PeJP	NA	NA
+PJ011725	ACCYW 	C29H36N6O7S2	644.2087	NA	PeJP	NA	NA
+MJ088235	4-O-?-L-Rhamnopyranosyl-D-xylose; ?-Pyranose-form, Me glycoside, 2,3-dibenzoyl, tri-Ac 	C32H36O14	644.210505	NA	MeJP	NA	NA
+MJ088236	Uhdoside A; 10-Hydroxy 	C32H36O14	644.210505	NA	MeJP	NA	NA
+PJ011726	GSSCEY 	C25H36N6O12S	644.2112	NA	PeJP	NA	NA
+PJ011727	CNMMF 	C26H40N6O7S3	644.2121	NA	PeJP	NA	NA
+PJ011728	PCCHW 	C28H36N8O6S2	644.2199	NA	PeJP	NA	NA
+PJ011729	NDEMH 	C24H36N8O11S	644.2225	NA	PeJP	NA	NA
+FLIA1AGI0001	4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside)	C36H36O11	644.22576	126654-66-8	knapsack	NA	NA
+MJ088237	4',7-Dihydroxy-3'-prenylisoflavone; 4'-Me ether, 7-O-(2-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside) 	C36H36O11	644.225761	NA	MeJP	NA	NA
+PJ011730	SSCYW 	C29H36N6O9S	644.2265	NA	PeJP	NA	NA
+PJ011731	SSSSDY 	C25H36N6O14	644.229	NA	PeJP	NA	NA
+PJ011732	SNMMY 	C26H40N6O9S2	644.2298	NA	PeJP	NA	NA
+MJ088238	Ajugol; 6-O-[3-Methoxy-4-(?-L-rhamnopyranosyloxy)benzoyl] 	C29H40O16	644.231635	NA	MeJP	NA	NA
+MJ088239	Yadanzioside D 	C29H40O16	644.231635	NA	MeJP	NA	NA
+PJ011733	CDDHR 	C23H36N10O10S	644.2337	NA	PeJP	NA	NA
+PJ011734	GDMHW 	C28H36N8O8S	644.2377	NA	PeJP	NA	NA
+PJ011735	GSSEEH 	C24H36N8O13	644.2402	NA	PeJP	NA	NA
+PJ011736	TCCRY 	C25H40N8O8S2	644.2411	NA	PeJP	NA	NA
+PJ011737	GNEYY 	C29H36N6O11	644.2442	NA	PeJP	NA	NA
+MJ088240	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside, 4,6-O-benzylidene, 2-benzyl, 2',3',4'-tri-Ac 	C33H40O13	644.246891	NA	MeJP	NA	NA
+MJ088241	Buddlenol E; 5',5''-Dimethoxy 	C33H40O13	644.246891	NA	MeJP	NA	NA
+MJ088242	Limbocidin 	C33H40O13	644.246891	NA	MeJP	NA	NA
+PJ011738	GSSTMY 	C26H40N6O11S	644.2476	NA	PeJP	NA	NA
+MJ088243	Antibiotic AT 2433; Antibiotic AT 2433B1 	C34H36N4O9	644.248228	NA	MeJP	NA	NA
+PJ011739	SSSNNH 	C23H36N10O12	644.2514	NA	PeJP	NA	NA
+PJ011740	GGGGSSSH 	C23H36N10O12	644.2515	NA	PeJP	NA	NA
+PJ011741	SSEHW 	C28H36N8O10	644.2555	NA	PeJP	NA	NA
+PJ011742	TQEMH 	C25H40N8O10S	644.2588	NA	PeJP	NA	NA
+MJ088244	Cephabacin H; Cephabacin H4, 28-Deoxy 	C25H40N8O10S	644.25881	NA	MeJP	NA	NA
+PJ011743	GGGGPPTC 	C25H40N8O10S	644.2589	NA	PeJP	NA	NA
+PJ011744	NYYW 	C33H36N6O8	644.2595	NA	PeJP	NA	NA
+PJ011745	PPDMW 	C30H40N6O8S	644.2629	NA	PeJP	NA	NA
+PJ011746	SSSTTY 	C26H40N6O13	644.2653	NA	PeJP	NA	NA
+PJ011747	AAPEEE 	C26H40N6O13	644.2654	NA	PeJP	NA	NA
+PJ011748	TCKMY 	C27H44N6O8S2	644.2662	NA	PeJP	NA	NA
+PJ011749	NNNHF 	C27H36N10O9	644.2667	NA	PeJP	NA	NA
+PJ011750	SDMHR 	C24H40N10O9S	644.2701	NA	PeJP	NA	NA
+MJ088245	Milliamine C; 3-O-Deacyl-5-O-acyl isomer, N1'-deacyl, 20-Ac 	C36H40N2O9	644.27338	NA	MeJP	NA	NA
+MJ088246	Milliamine C; N1'-Deacyl, 20-Ac 	C36H40N2O9	644.27338	NA	MeJP	NA	NA
+MJ088247	Thapsakin B; 3,4-Diepimer, homologue (R = CH2CH3) 	C36H40N2O9	644.27338	NA	MeJP	NA	NA
+PJ011751	ATMHW 	C29H40N8O7S	644.2741	NA	PeJP	NA	NA
+PJ011752	PDEER 	C25H40N8O12	644.2766	NA	PeJP	NA	NA
+PJ011753	VQMMH 	C26H44N8O7S2	644.2775	NA	PeJP	NA	NA
+PJ011754	SQHHH 	C26H36N12O8	644.2779	NA	PeJP	NA	NA
+PJ011755	PVDEW 	C30H40N6O10	644.2806	NA	PeJP	NA	NA
+MJ088248	Azadirachtanin; 14?,15?-Epoxide, 29-de-Ac, 29-(2-methylpropanoyl) 	C34H44O12	644.283276	NA	MeJP	NA	NA
+MJ088249	Meliatoxin A2 	C34H44O12	644.283276	NA	MeJP	NA	NA
+MJ088250	Meliatoxin B2 	C34H44O12	644.283276	NA	MeJP	NA	NA
+MJ088251	Rohituka 5 	C34H44O12	644.283276	NA	MeJP	NA	NA
+MJ088252	Taccalonolide F; 11-Deoxy 	C34H44O12	644.283276	NA	MeJP	NA	NA
+PJ011756	APPTEM 	C27H44N6O10S	644.284	NA	PeJP	NA	NA
+PJ011757	GSPNDR 	C24H40N10O11	644.2878	NA	PeJP	NA	NA
+PJ011758	GGGGGGGVQ 	C24H40N10O11	644.2879	NA	PeJP	NA	NA
+PJ011759	AMMHR 	C25H44N10O6S2	644.2887	NA	PeJP	NA	NA
+PJ011760	TTTHW 	C29H40N8O9	644.2918	NA	PeJP	NA	NA
+MJ088253	Biphenomycin A; N25-(2-Amino-5-guanidinylpentanoyl) 	C29H40N8O9	644.291824	NA	MeJP	NA	NA
+PJ011761	GGPTQW 	C29H40N8O9	644.2919	NA	PeJP	NA	NA
+MJ088254	Apicularen A; 4-O-(2-Acetamido-2-deoxy-?-D-glucopyranoside) 	C33H44N2O11	644.29451	NA	MeJP	NA	NA
+PJ011762	TKEMH 	C26H44N8O9S	644.2952	NA	PeJP	NA	NA
+PJ011763	GQFFF 	C34H40N6O7	644.2959	NA	PeJP	NA	NA
+MJ088255	3,7,14,15-Tetrahydroxy-5,11-jatrophadien-9-one, 3,7-Dibenzoyl, 14,15-di-Ac 	C38H44O9	644.298533	NA	MeJP	NA	NA
+MJ088256	Ohchinin; Ac 	C38H44O9	644.298533	NA	MeJP	NA	NA
+PJ011764	NNNQR 	C23H40N12O10	644.2991	NA	PeJP	NA	NA
+PJ011765	GKMFY 	C31H44N6O7S	644.2992	NA	PeJP	NA	NA
+PJ011766	GPPPMF 	C31H44N6O7S	644.2993	NA	PeJP	NA	NA
+PJ011767	APTLDE 	C27H44N6O12	644.3017	NA	PeJP	NA	NA
+PJ011768	GPTLEE 	C27H44N6O12	644.3018	NA	PeJP	NA	NA
+PJ011769	GPPLMM 	C28H48N6O7S2	644.3026	NA	PeJP	NA	NA
+PJ011770	GEHFR 	C28H40N10O8	644.3031	NA	PeJP	NA	NA
+MJ088257	Atractyligenin; 2-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C31H48O14	644.304406	NA	MeJP	NA	NA
+PJ011771	TTMHR 	C25H44N10O8S	644.3064	NA	PeJP	NA	NA
+PJ011772	GGPQMR 	C25H44N10O8S	644.3065	NA	PeJP	NA	NA
+PJ011773	GVHFW 	C33H40N8O6	644.3071	NA	PeJP	NA	NA
+PJ011774	SSTTLH 	C26H44N8O11	644.313	NA	PeJP	NA	NA
+PJ011775	VKMMH 	C27H48N8O6S2	644.3139	NA	PeJP	NA	NA
+PJ011776	SKHHH 	C27H40N12O7	644.3143	NA	PeJP	NA	NA
+PJ011777	PTLEW 	C31H44N6O9	644.317	NA	PeJP	NA	NA
+PJ011778	PCNRR 	C24H44N12O7S	644.3177	NA	PeJP	NA	NA
+PJ011779	HFRW 	C32H40N10O5	644.3183	NA	PeJP	NA	NA
+MJ088258	Fevicordin F; 25-Deoxy, 6,7,25,26-tetradehydro, 2-O-?-D-glucopyranoside 	C35H48O11	644.319662	NA	MeJP	NA	NA
+MJ088259	Nimbolidin A; 7-Deacyl, 7-(2-methylpropanoyl), 11-O-de-Ac 	C35H48O11	644.319662	NA	MeJP	NA	NA
+PJ011780	GPVLEM 	C28H48N6O9S	644.3204	NA	PeJP	NA	NA
+PJ011781	VNQER 	C25H44N10O10	644.3242	NA	PeJP	NA	NA
+PJ011782	SPQKW 	C30H44N8O8	644.3282	NA	PeJP	NA	NA
+PJ011783	GGGGVLW 	C30H44N8O8	644.3283	NA	PeJP	NA	NA
+PJ011784	PLEMR 	C27H48N8O8S	644.3316	NA	PeJP	NA	NA
+PJ011785	PPVFW 	C35H44N6O6	644.3323	NA	PeJP	NA	NA
+PJ011786	GQERR 	C24H44N12O9	644.3354	NA	PeJP	NA	NA
+PJ011787	GGAERR 	C24H44N12O9	644.3355	NA	PeJP	NA	NA
+PJ011788	PVLMW 	C32H48N6O6S	644.3356	NA	PeJP	NA	NA
+MJ088260	Ervafolene; 19'-Hydroxy 	C40H44N4O4	644.336255	NA	MeJP	NA	NA
+MJ088261	Ervafoline 	C40H44N4O4	644.336255	NA	MeJP	NA	NA
+PJ011789	AALLEE 	C28H48N6O11	644.3381	NA	PeJP	NA	NA
+PJ011790	GVQRW 	C29H44N10O7	644.3395	NA	PeJP	NA	NA
+MJ088262	17,19-Kauranediol, 19-Carboxylic acid, 17-O-?-D-glucopyranoside, ?-D-glucopyranosyl ester 	C32H52O13	644.340791	NA	MeJP	NA	NA
+MJ088263	3-Hydroxy-1,6,10,14-phytatetraen-16-oic acid, 3-O-[?-D-Glucopyranosyl(1?2)-D-glucopyranoside] 	C32H52O13	644.340791	NA	MeJP	NA	NA
+MJ088264	8(17),13-Labdadiene-15,18-diol, 18-Carboxylic acid, 15,18-di-O-?-D-glucopyranoside 	C32H52O13	644.340791	NA	MeJP	NA	NA
+MJ088265	8(17),13-Labdadiene-15,19-diol, 19-Carboxylic acid, 15-?-D-glucopyranoside, 19-?-D-glucopyranosyl ester 	C32H52O13	644.340791	NA	MeJP	NA	NA
+PJ011791	PNKMR 	C26H48N10O7S	644.3428	NA	PeJP	NA	NA
+PJ011792	GGPKMR 	C26H48N10O7S	644.3429	NA	PeJP	NA	NA
+PJ011793	VLEER 	C27H48N8O10	644.3494	NA	PeJP	NA	NA
+PJ011794	QRRW 	C28H44N12O6	644.3507	NA	PeJP	NA	NA
+3805	ileum contracting peptide	YPLPR	644.352	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ088266	Protactin 	C32H48N6O8	644.353362	NA	MeJP	NA	NA
+PJ011795	VVLEW 	C32H48N6O8	644.3534	NA	PeJP	NA	NA
+MJ088267	22,23-Dihydroxymilbemycin ?1; 23-O-(2-Methylbutanoyl) 	C36H52O10	644.356047	NA	MeJP	NA	NA
+PJ011796	APTLLM 	C29H52N6O8S	644.3568	NA	PeJP	NA	NA
+PJ011797	VNKER 	C26H48N10O9	644.3606	NA	PeJP	NA	NA
+PJ011798	SPKKW 	C31H48N8O7	644.3646	NA	PeJP	NA	NA
+PJ011799	AAPKKM 	C28H52N8O7S	644.368	NA	PeJP	NA	NA
+MJ088268	Nilgherron A 	C40H52O7	644.371304	NA	MeJP	NA	NA
+PJ011800	GKERR 	C25H48N12O8	644.3718	NA	PeJP	NA	NA
+MJ088269	Accedinisine 	C41H48N4O3	644.372641	NA	MeJP	NA	NA
+MJ088270	Macralstonidine 	C41H48N4O3	644.372641	NA	MeJP	NA	NA
+MJ088271	Melomorsine 	C41H48N4O3	644.372641	NA	MeJP	NA	NA
+PJ011801	GTLLLE 	C29H52N6O10	644.3745	NA	PeJP	NA	NA
+MJ088272	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Arginine analogue 	C30H48N10O6	644.375829	NA	MeJP	NA	NA
+PJ011802	GVKRW 	C30H48N10O6	644.3759	NA	PeJP	NA	NA
+MJ088273	16,17,18-Kauranetriol, 18-O-[?-L-Rhamnopyranosyl-(1?6)-4-O-methyl-?-D-glucopyranoside] 	C33H56O12	644.377177	NA	MeJP	NA	NA
+PJ011803	GTRRR 	C24H48N14O7	644.3831	NA	PeJP	NA	NA
+PJ011804	LQKKE 	C28H52N8O9	644.3857	NA	PeJP	NA	NA
+PJ011805	GALKKE 	C28H52N8O9	644.3858	NA	PeJP	NA	NA
+PJ011806	KRRW 	C29H48N12O5	644.3871	NA	PeJP	NA	NA
+PJ011807	TLLLW 	C33H52N6O7	644.3898	NA	PeJP	NA	NA
+MJ088274	3,7,15,22-Tetrahydroxylanosta-8,24-dien-26-oic acid, 3,15,22-Tri-Ac, 7-Me ether 	C37H56O9	644.392433	NA	MeJP	NA	NA
+MJ088275	Gentinone A; Deepoxy, 24R,25-dihydroxy, 7-Ac 	C37H56O9	644.392433	NA	MeJP	NA	NA
+PJ011808	ACILLL 	C30H56N6O7S	644.3931	NA	PeJP	NA	NA
+PJ011809	GVLLLM 	C30H56N6O7S	644.3932	NA	PeJP	NA	NA
+PJ011810	VDKKR 	C27H52N10O8	644.397	NA	PeJP	NA	NA
+MJ088276	Plactin; Plactin A 	C32H52N8O6	644.400981	NA	MeJP	NA	NA
+MJ088277	Plactin; Plactin B 	C32H52N8O6	644.400981	NA	MeJP	NA	NA
+PJ011811	ALKKW 	C32H52N8O6	644.401	NA	PeJP	NA	NA
+PJ011812	LLLMR 	C29H56N8O6S	644.4044	NA	PeJP	NA	NA
+PJ011813	SVKRR 	C26H52N12O7	644.4082	NA	PeJP	NA	NA
+PJ011814	SSLLLL 	C30H56N6O9	644.4109	NA	PeJP	NA	NA
+PJ011815	LKKKE 	C29H56N8O8	644.4221	NA	PeJP	NA	NA
+MJ088278	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12-Hexadecanoyl, 13-Ac 	C38H60O8	644.428818	NA	MeJP	NA	NA
+MJ088279	8,9,15-Trihydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide, 9-Octadecanoyl, 8-(2-methylbutanoyl) 	C38H60O8	644.428818	NA	MeJP	NA	NA
+MJ088280	8-(2,8-Dihydroxy-1,3,7-trimethyl-4-oxo-5-nonenyl)-20-hydroxy-1,3,9,13-tetramethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]eicosa-2,4,10,12-tetraen-6-one 	C38H60O8	644.428818	NA	MeJP	NA	NA
+PJ011816	TLKKR 	C28H56N10O7	644.4334	NA	PeJP	NA	NA
+MJ088281	Coriaheptocin A 	C35H64O10	644.449948	NA	MeJP	NA	NA
+MJ088282	9-Hydroxy-3-methyl-2-decenoic acid, O-Tricosanoyl, 2-sulfoethyl ester 	C36H68O7S	644.468575	NA	MeJP	NA	NA
+MJ088283	Foliosate 	C43H64O4	644.48046	NA	MeJP	NA	NA
+MJ088284	Glandulosate 	C43H64O4	644.48046	NA	MeJP	NA	NA
+MJ088285	Nidoanomalin 	C43H64O4	644.48046	NA	MeJP	NA	NA
+MJ088286	Petiolate 	C43H64O4	644.48046	NA	MeJP	NA	NA
+MJ088287	1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Octadecanoyl, 18-Ac 	C40H68O6	644.501589	NA	MeJP	NA	NA
+HMDB05215	DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C41H72O5	644.53796	http://www.hmdb.ca/metabolites/HMDB05215	HMDB	NA	NA
+HMDB05215	DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C41H72O5	644.53796	HMDB05215	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07118	DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07170	DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07171	DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07198	DG(18:1(11Z)/20:3(8Z,11Z,14Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07226	DG(18:1(9Z)/20:3(5Z,8Z,11Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07227	DG(18:1(9Z)/20:3(8Z,11Z,14Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07254	DG(18:2(9Z,12Z)/20:2(11Z,14Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07282	DG(18:3(6Z,9Z,12Z)/20:1(11Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07311	DG(18:3(9Z,12Z,15Z)/20:1(11Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07339	DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07367	DG(20:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07394	DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07395	DG(20:1(11Z)/18:3(9Z,12Z,15Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07422	DG(20:2(11Z,14Z)/18:2(9Z,12Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07449	DG(20:3(5Z,8Z,11Z)/18:1(11Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07450	DG(20:3(5Z,8Z,11Z)/18:1(9Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07478	DG(20:3(8Z,11Z,14Z)/18:1(11Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07479	DG(20:3(8Z,11Z,14Z)/18:1(9Z)/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07506	DG(20:4(5Z,8Z,11Z,14Z)/18:0/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07535	DG(20:4(8Z,11Z,14Z,17Z)/18:0/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+HMDB07678	DG(22:4(7Z,10Z,13Z,16Z)/16:0/0:0)	C41H72O5	644.537964	NA	HMDB2010	NA	NA
+MJ088288	21-Hydroxy-2-methyl-1,5-tritetracontadien-7-one 	C44H84O2	644.647131	NA	MeJP	NA	NA
+8120	peptide derived from giant squid muscle (Dosidicus gigas)	NADFGLNGLEGLA	644.80585	MH2+	Inhouse_peptide	NA	peptide
+MJ088289	Amiodarone 	C25H29I2NO3	645.02368	NA	MeJP	NA	NA
+C06823	Amiodarone	C25H29I2NO3	645.0237	NA	KEGG	NA	NA
+PJ011817	SCCCCQ 	C20H35N7O9S4	645.1379	NA	PeJP	NA	NA
+C06883	Cefoperazone	C25H27N9O8S2	645.1424	NA	KEGG	NA	NA
+MJ088290	Cefoperazone 	C25H27N9O8S2	645.1424	NA	MeJP	NA	NA
+PJ011818	GSSSCCC 	C20H35N7O11S3	645.1557	NA	PeJP	NA	NA
+PJ011819	GCCCNF 	C24H35N7O8S3	645.171	NA	PeJP	NA	NA
+PJ011820	SCCCCK 	C21H39N7O8S4	645.1743	NA	PeJP	NA	NA
+PJ011821	CDDMY 	C25H35N5O11S2	645.1775	NA	PeJP	NA	NA
+PJ011822	CMMMM 	C23H43N5O6S5	645.1817	NA	PeJP	NA	NA
+PJ011823	GSCCNY 	C24H35N7O10S2	645.1887	NA	PeJP	NA	NA
+PJ011824	CDMMF 	C26H39N5O8S3	645.1961	NA	PeJP	NA	NA
+PJ011825	DDEMH 	C24H35N7O12S	645.2065	NA	PeJP	NA	NA
+PJ011826	CDDFF 	C29H35N5O10S	645.2105	NA	PeJP	NA	NA
+PJ011827	SDMMY 	C26H39N5O10S2	645.2139	NA	PeJP	NA	NA
+PJ011828	CCHHF 	C27H35N9O6S2	645.2152	NA	PeJP	NA	NA
+PJ011829	GSCNEH 	C23H35N9O11S	645.2177	NA	PeJP	NA	NA
+PJ011830	GPNDDE 	C24H35N7O14	645.2242	NA	PeJP	NA	NA
+PJ011831	GDEYY 	C29H35N5O12	645.2282	NA	PeJP	NA	NA
+MJ088291	L-Tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine cyclic(2?5)-disulfide 	C30H39N5O7S2	645.22909	NA	MeJP	NA	NA
+MJ088292	Ustiloxin B 	C26H39N5O12S	645.231592	NA	MeJP	NA	NA
+MJ088293	Daunomycin; 13-(2-Benzoylhydrazone) 	C34H35N3O10	645.232244	NA	MeJP	NA	NA
+PJ011832	AMMMY 	C27H43N5O7S3	645.2325	NA	PeJP	NA	NA
+PJ011833	SCNHW 	C27H35N9O8S	645.233	NA	PeJP	NA	NA
+PJ011834	SSSNDH 	C23H35N9O13	645.2355	NA	PeJP	NA	NA
+PJ011835	NNMMH 	C24H39N9O8S2	645.2363	NA	PeJP	NA	NA
+PJ011836	PNDDW 	C28H35N7O11	645.2395	NA	PeJP	NA	NA
+PJ011837	TEEMH 	C25H39N7O11S	645.2429	NA	PeJP	NA	NA
+PJ011838	DYYW 	C33H35N5O9	645.2435	NA	PeJP	NA	NA
+PJ011839	PMMMH 	C26H43N7O6S3	645.2437	NA	PeJP	NA	NA
+PJ011840	GNNNNN 	C22H35N11O12	645.2467	NA	PeJP	NA	NA
+PJ011841	PTCYY 	C30H39N5O9S	645.2469	NA	PeJP	NA	NA
+PJ011842	CCQHR 	C23H39N11O7S2	645.2476	NA	PeJP	NA	NA
+C06802	Acarbose	C25H43NO18	645.248	NA	KEGG	NA	NA
+MJ088294	Acarbose 	C25H43NO18	645.248013	NA	MeJP	NA	NA
+PJ011843	TTMMY 	C27H43N5O9S2	645.2502	NA	PeJP	NA	NA
+PJ011844	NNDHF 	C27H35N9O10	645.2507	NA	PeJP	NA	NA
+PJ011845	GSSQMH 	C24H39N9O10S	645.2541	NA	PeJP	NA	NA
+MJ088295	Milliamine H; 2'-De(methylamino), 2'-hydroxy 	C36H39NO10	645.257396	NA	MeJP	NA	NA
+PJ011846	GSPPCW 	C29H39N7O8S	645.2581	NA	PeJP	NA	NA
+PJ011847	GSPQEE 	C25H39N7O13	645.2606	NA	PeJP	NA	NA
+PJ011848	VEMMH 	C26H43N7O8S2	645.2615	NA	PeJP	NA	NA
+PJ011849	SEHHH 	C26H35N11O9	645.262	NA	PeJP	NA	NA
+PJ011850	MFYW 	C34H39N5O6S	645.2621	NA	PeJP	NA	NA
+MJ088296	Prednimustine 	C35H45Cl2NO6	645.262393	NA	MeJP	NA	NA
+PJ011851	ATEYY 	C30H39N5O11	645.2646	NA	PeJP	NA	NA
+PJ011852	GSSCHR 	C23H39N11O9S	645.2653	NA	PeJP	NA	NA
+PJ011853	AMMFF 	C31H43N5O6S2	645.2655	NA	PeJP	NA	NA
+MJ088297	Spermidine; N-(4-Hydroxy-3-methoxycinnamoyl), N',N''-bis(3,4-dihydroxycinnamoyl) 	C35H39N3O9	645.268629	NA	MeJP	NA	NA
+PJ011854	SSSTQH 	C24H39N9O12	645.2718	NA	PeJP	NA	NA
+PJ011855	GSPDDR 	C24H39N9O12	645.2719	NA	PeJP	NA	NA
+PJ011856	APPCCR 	C25H43N9O7S2	645.2727	NA	PeJP	NA	NA
+PJ011857	SPQEW 	C29H39N7O10	645.2759	NA	PeJP	NA	NA
+MJ088298	4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O6,O16,O18-Tri-Me, 14-benzoyl, 8,N-di-Ac 	C33H43NO12	645.278525	NA	MeJP	NA	NA
+PJ011858	AAPQEM 	C26H43N7O10S	645.2792	NA	PeJP	NA	NA
+PJ011859	GGGPVEM 	C26H43N7O10S	645.2793	NA	PeJP	NA	NA
+PJ011860	GPFYY 	C34H39N5O8	645.2799	NA	PeJP	NA	NA
+PJ011861	CLHHH 	C27H39N11O6S	645.2806	NA	PeJP	NA	NA
+PJ011862	NNNER 	C23H39N11O11	645.2831	NA	PeJP	NA	NA
+PJ011863	GLMYY 	C31H43N5O8S	645.2832	NA	PeJP	NA	NA
+PJ011864	CCKHR 	C24H43N11O6S2	645.2839	NA	PeJP	NA	NA
+PJ011865	GQQQW 	C28H39N9O9	645.2871	NA	PeJP	NA	NA
+PJ011866	PNEMR 	C25H43N9O9S	645.2905	NA	PeJP	NA	NA
+PJ011867	GPTWW 	C33H39N7O7	645.2911	NA	PeJP	NA	NA
+PJ011868	PVNMW 	C30H43N7O7S	645.2945	NA	PeJP	NA	NA
+PJ011869	FFFW 	C38H39N5O5	645.2951	NA	PeJP	NA	NA
+PJ011870	GSPKEE 	C26H43N7O12	645.297	NA	PeJP	NA	NA
+PJ011871	APPCKM 	C27H47N7O7S2	645.2979	NA	PeJP	NA	NA
+PJ011872	GNNRW 	C27H39N11O8	645.2983	NA	PeJP	NA	NA
+PJ011873	GGGGGRW 	C27H39N11O8	645.2984	NA	PeJP	NA	NA
+PJ011874	STLYY 	C31H43N5O10	645.301	NA	PeJP	NA	NA
+PJ011875	PCDRR 	C24H43N11O8S	645.3017	NA	PeJP	NA	NA
+PJ011876	GPMRW 	C29H43N9O6S	645.3057	NA	PeJP	NA	NA
+MJ088299	Kanamycin B; 4'-O-?-D-Glucopyranosyl 	C24H47N5O15	645.306865	NA	MeJP	NA	NA
+PJ011877	VNEER 	C25H43N9O11	645.3082	NA	PeJP	NA	NA
+PJ011878	GGGGAAKE 	C25H43N9O11	645.3083	NA	PeJP	NA	NA
+PJ011879	CKKMH 	C26H47N9O6S2	645.3091	NA	PeJP	NA	NA
+PJ011880	SPKEW 	C30H43N7O9	645.3122	NA	PeJP	NA	NA
+PJ011881	GAALEW 	C30H43N7O9	645.3123	NA	PeJP	NA	NA
+C06091	Aconitine	C34H47NO11	645.3149	NA	KEGG	NA	NA
+MJ088300	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 3-Ac 	C34H47NO11	645.314911	NA	MeJP	NA	NA
+MJ088301	4-Methylaconitane-1,6,8,10,13,14,15,16,18-nonol, O1,O6,O16O18-Tetra-Me, N-Et, 14-benzoyl, 8-Ac 	C34H47NO11	645.314911	NA	MeJP	NA	NA
+MJ088302	Aconitine 	C34H47NO11	645.314911	NA	MeJP	NA	NA
+MJ088303	Altaconitine; 3-Deoxy, 2-epimer 	C34H47NO11	645.314911	NA	MeJP	NA	NA
+PJ011882	AAPKEM 	C27H47N7O9S	645.3156	NA	PeJP	NA	NA
+PJ011883	GLFFY 	C35H43N5O7	645.3163	NA	PeJP	NA	NA
+PJ011884	GEERR 	C24H43N11O10	645.3195	NA	PeJP	NA	NA
+MJ088304	3-[4-[3-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-(4-methylphenyl)propoxy]benzoyl]-1H-indole-1-butanoic acid 	C40H43N3O5	645.320271	NA	MeJP	NA	NA
+PJ011885	GVERW 	C29H43N9O8	645.3235	NA	PeJP	NA	NA
+PJ011886	PDKMR 	C26H47N9O8S	645.3269	NA	PeJP	NA	NA
+PJ011887	AALWW 	C34H43N7O6	645.3275	NA	PeJP	NA	NA
+7023	synthetic peptide from alpha-gliadin	LCCQHLWQIPEQ	645.3285	MH2+	Inhouse_peptide	NA	peptide
+PJ011888	SNNRR 	C23H43N13O9	645.3307	NA	PeJP	NA	NA
+MJ088305	Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Proline analogue 	C31H47N7O6S	645.330852	NA	MeJP	NA	NA
+PJ011889	PCLKW 	C31H47N7O6S	645.3309	NA	PeJP	NA	NA
+PJ011890	LQKEE 	C27H47N7O11	645.3334	NA	PeJP	NA	NA
+PJ011891	ERRW 	C28H43N11O7	645.3347	NA	PeJP	NA	NA
+PJ011892	SPMRR 	C25H47N11O7S	645.3381	NA	PeJP	NA	NA
+PJ011893	VRWW 	C33H43N9O5	645.3387	NA	PeJP	NA	NA
+PJ011894	VDKER 	C26H47N9O10	645.3446	NA	PeJP	NA	NA
+PJ011895	ALKEW 	C31H47N7O8	645.3486	NA	PeJP	NA	NA
+MJ088306	Ganefromycin ?; 23?-Hydroxy, O-de-Me 	C35H51NO10	645.351296	NA	MeJP	NA	NA
+MJ088307	Yunaconitine; O-De-Ac, O8-Et 	C35H51NO10	645.351296	NA	MeJP	NA	NA
+2721	erythromycin inhibitor	MVQLR	645.3514	NA	Inhouse_peptide	NA	peptide
+PJ011896	GPTLKM 	C28H51N7O8S	645.352	NA	PeJP	NA	NA
+MJ088308	Zizyphine C 	C36H47N5O6	645.352634	NA	MeJP	NA	NA
+MJ088309	Zizyphine I 	C36H47N5O6	645.352634	NA	MeJP	NA	NA
+PJ011897	SVERR 	C25H47N11O9	645.3558	NA	PeJP	NA	NA
+PJ011898	GGTQKR 	C25H47N11O9	645.3559	NA	PeJP	NA	NA
+PJ011899	ATLRW 	C30H47N9O7	645.3599	NA	PeJP	NA	NA
+MJ088310	Libanomycin A 	C34H51N3O9	645.36253	NA	MeJP	NA	NA
+PJ011900	VLQMR 	C27H51N9O7S	645.3632	NA	PeJP	NA	NA
+PJ011901	GGLLMR 	C27H51N9O7S	645.3633	NA	PeJP	NA	NA
+MJ088311	Janthitrem E; O10-Ac 	C39H51NO7	645.366552	NA	MeJP	NA	NA
+PJ011902	LKKEE 	C28H51N7O10	645.3698	NA	PeJP	NA	NA
+PJ011903	APFRR 	C29H47N11O6	645.3711	NA	PeJP	NA	NA
+PJ011904	ALMRR 	C26H51N11O6S	645.3745	NA	PeJP	NA	NA
+PJ011905	TLKER 	C27H51N9O9	645.381	NA	PeJP	NA	NA
+PJ011906	SLLKW 	C32H51N7O7	645.385	NA	PeJP	NA	NA
+MJ088312	Antascomicin; Antascomicin D 	C36H55NO9	645.387682	NA	MeJP	NA	NA
+PJ011907	AALLKM 	C29H55N7O7S	645.3884	NA	PeJP	NA	NA
+PJ011908	TTLRR 	C26H51N11O8	645.3922	NA	PeJP	NA	NA
+PJ011909	GKKKW 	C31H51N9O6	645.3963	NA	PeJP	NA	NA
+PJ011910	VLKMR 	C28H55N9O6S	645.3996	NA	PeJP	NA	NA
+PJ011911	SSVLLK 	C29H55N7O9	645.4061	NA	PeJP	NA	NA
+PJ011912	ATTLLK 	C29H55N7O9	645.4062	NA	PeJP	NA	NA
+PJ011913	DKKKK 	C28H55N9O8	645.4174	NA	PeJP	NA	NA
+MJ088313	Pentabromo-2-propanone; Enol dibromoacetate 	C5HBr7O2	645.426017	NA	MeJP	NA	NA
+PJ011914	SKKKR 	C27H55N11O7	645.4286	NA	PeJP	NA	NA
+HMDB08883	PE(14:1(9Z)/P-16:0)	C35H68NO7P	645.473328	NA	HMDB2010	NA	NA
+HMDB11336	PE(P-16:0/14:1(9Z))	C35H68NO7P	645.473328	NA	HMDB2010	NA	NA
+HMDB06749	Ceramide 1-phosphate	C36H72NO6P	645.5097	http://www.hmdb.ca/metabolites/HMDB06749	HMDB	NA	NA
+HMDB06749	Ceramide 1-phosphate	C36H72NO6P	645.5097	HMDB06749	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10701	CerP(d18:1/18:0)	C36H72NO6P	645.509705	NA	HMDB2010	NA	NA
+MJ088314	Bibrocathol 	C6HBiBr4O3	645.646302	NA	MeJP	NA	NA
+3594	heparin-binding peptide	WQWRCKKLGA	645.8235	MH2+	Inhouse_peptide	NA	peptide
+MJ088315	Ageliferin; 1,1'-Di-N-Me 	C24H28Br2N10O2	646.076345	NA	MeJP	NA	NA
+MJ088316	Ageliferin; 2'-Bromo, 3'-debromo, 1,1'-di-N-Me 	C24H28Br2N10O2	646.076345	NA	MeJP	NA	NA
+MJ088317	Piprocurarium(2+), Iodide 	C23H40I2N2O3	646.112829	NA	MeJP	NA	NA
+PJ011915	SCCCCE 	C20H34N6O10S4	646.122	NA	PeJP	NA	NA
+MJ088318	3-[1-[[2-Hydroxy-3-[hydroxy[5-[[3-(4-hydroxy-3-iodophenyl)-1-oxopropyl]amino]pentyl]phosphinyl]propyl]amino]ethyl]benzoic acid 	C26H36IN2O7P	646.130481	NA	MeJP	NA	NA
+MJ088319	Salafibrate 	C32H32Cl2O10	646.137252	NA	MeJP	NA	NA
+PJ011916	GCCCMM 	C21H38N6O7S5	646.1406	NA	PeJP	NA	NA
+PJ011917	GCCCDF 	C24H34N6O9S3	646.155	NA	PeJP	NA	NA
+PJ011918	STCCCM 	C21H38N6O9S4	646.1583	NA	PeJP	NA	NA
+MJ088320	Antibiotic SC 28763 	C34H30O13	646.168641	NA	MeJP	NA	NA
+MJ088321	Aphthosin 	C34H30O13	646.168641	NA	MeJP	NA	NA
+PJ011919	GSCCDY 	C24H34N6O11S2	646.1727	NA	PeJP	NA	NA
+MJ088322	3,3',4,4',5,5',7-Heptahydroxyflavan; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C27H34O18	646.174514	NA	MeJP	NA	NA
+MJ088323	Elloramycin C 	C31H34O15	646.18977	NA	MeJP	NA	NA
+MJ088324	Elloramycin D 	C31H34O15	646.18977	NA	MeJP	NA	NA
+PJ011920	CCQMY 	C25H38N6O8S3	646.1913	NA	PeJP	NA	NA
+PJ011921	GACCMY 	C25H38N6O8S3	646.1914	NA	PeJP	NA	NA
+MJ088325	Ovihernangerine 	C37H30N2O9	646.19513	NA	MeJP	NA	NA
+PJ011922	GCCNNH 	C22H34N10O9S2	646.1952	NA	PeJP	NA	NA
+PJ011923	GSCDEH 	C23H34N8O12S	646.2017	NA	PeJP	NA	NA
+MJ088326	Antibiotic PI 061 	C31H38N2O9S2	646.201872	NA	MeJP	NA	NA
+PJ011924	CCCRY 	C24H38N8O7S3	646.2026	NA	PeJP	NA	NA
+MJ088327	Kodaistatin A; 3''-Hydroxy 	C35H34O12	646.205026	NA	MeJP	NA	NA
+MJ088328	Kodaistatin A; Stereoisomer(?), 3''-hydroxy 	C35H34O12	646.205026	NA	MeJP	NA	NA
+PJ011925	APDDDD 	C24H34N6O15	646.2082	NA	PeJP	NA	NA
+PJ011926	GPDDDE 	C24H34N6O15	646.2083	NA	PeJP	NA	NA
+PJ011927	GSSCMY 	C25H38N6O10S2	646.2091	NA	PeJP	NA	NA
+MJ088329	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C28H38O17	646.210899	NA	MeJP	NA	NA
+PJ011928	SCDHW 	C27H34N8O9S	646.217	NA	PeJP	NA	NA
+PJ011929	SSSDDH 	C23H34N8O14	646.2195	NA	PeJP	NA	NA
+MJ088330	Mulberrofuran O 	C39H34O9	646.220282	NA	MeJP	NA	NA
+PJ011930	NDMMH 	C24H38N8O9S2	646.2203	NA	PeJP	NA	NA
+PJ011931	GGDMMH 	C24H38N8O9S2	646.2204	NA	PeJP	NA	NA
+PJ011932	PDDDW 	C28H34N6O12	646.2235	NA	PeJP	NA	NA
+PJ011933	CCQFF 	C29H38N6O7S2	646.2244	NA	PeJP	NA	NA
+FL5FAAGI0006	Noranhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside	C32H38O14	646.22615	135293-12-8	knapsack	NA	NA
+FL5FABGI0003	Sagittatoside B	C32H38O14	646.22615	118525-36-3	knapsack	NA	NA
+MJ088331	1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1-benzoyl, 2,3,6,9,14-penta-Ac 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088332	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3,7-Di-O-?-L-rhamnopyranoside 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088333	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088334	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088335	4',5,7-Trihydroxy-3'-prenylflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088336	4',5,7-Trihydroxy-8-prenylflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088337	Antibiotic NG 011; 14-Deoxy 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088338	Isoligustrosidic acid; 3''-Hydroxy, [(4-hydroxyphenyl)ethyl] ester 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088339	Isoligustrosidic acid; [(3,4-Dihydroxyphenyl)ethyl] ester 	C32H38O14	646.226155	NA	MeJP	NA	NA
+MJ088340	Orbuticin 	C32H38O14	646.226155	NA	MeJP	NA	NA
+PJ011934	SSSTCY 	C25H38N6O12S	646.2268	NA	PeJP	NA	NA
+PJ011935	SPPCDE 	C25H38N6O12S	646.2269	NA	PeJP	NA	NA
+PJ011936	CCKMY 	C26H42N6O7S3	646.2277	NA	PeJP	NA	NA
+PJ011937	GNNNND 	C22H34N10O13	646.2307	NA	PeJP	NA	NA
+MJ088341	Bis(5-hydroxynoracronycine) 	C38H34N2O8	646.231516	NA	MeJP	NA	NA
+PJ011938	CCEHR 	C23H38N10O8S2	646.2316	NA	PeJP	NA	NA
+PJ011939	NDDHF 	C27H34N8O11	646.2347	NA	PeJP	NA	NA
+PJ011940	ACMHW 	C28H38N8O6S2	646.2356	NA	PeJP	NA	NA
+PJ011941	GSSEMH 	C24H38N8O11S	646.2381	NA	PeJP	NA	NA
+PJ011942	CNHHH 	C25H34N12O7S	646.2394	NA	PeJP	NA	NA
+PJ011943	GGCHHH 	C25H34N12O7S	646.2395	NA	PeJP	NA	NA
+MJ088342	Calyflorenone B 	C36H38O11	646.241412	NA	MeJP	NA	NA
+MJ088343	Voamatin C; 3-Deacyl, 3-cinnamoyl 	C36H38O11	646.241412	NA	MeJP	NA	NA
+PJ011944	GNMYY 	C29H38N6O9S	646.2421	NA	PeJP	NA	NA
+PJ011945	GSPEEE 	C25H38N6O14	646.2446	NA	PeJP	NA	NA
+PJ011946	GPPDMM 	C26H42N6O9S2	646.2455	NA	PeJP	NA	NA
+MJ088344	Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 2',3',7,10-tetra-Ac 	C29H42O16	646.247285	NA	MeJP	NA	NA
+MJ088345	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',3',7,10-tetra-Ac 	C29H42O16	646.247285	NA	MeJP	NA	NA
+MJ088346	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2',6',7,10-tetra-Ac 	C29H42O16	646.247285	NA	MeJP	NA	NA
+PJ011947	SSMHW 	C28H38N8O8S	646.2533	NA	PeJP	NA	NA
+PJ011948	TTCHW 	C28H38N8O8S	646.2534	NA	PeJP	NA	NA
+PJ011949	SSSTEH 	C24H38N8O13	646.2558	NA	PeJP	NA	NA
+PJ011950	NQQEE 	C24H38N8O13	646.2559	NA	PeJP	NA	NA
+MJ088347	Bianthrone A2b 	C40H38O8	646.256668	NA	MeJP	NA	NA
+MJ088348	Dorstenone 	C40H38O8	646.256668	NA	MeJP	NA	NA
+MJ088349	Kuwanon J; 2,16''-Dideoxy 	C40H38O8	646.256668	NA	MeJP	NA	NA
+PJ011951	TQMMH 	C25H42N8O8S2	646.2567	NA	PeJP	NA	NA
+PJ011952	SPEEW 	C29H38N6O11	646.2599	NA	PeJP	NA	NA
+PJ011953	CCKFF 	C30H42N6O6S2	646.2607	NA	PeJP	NA	NA
+MJ088350	Dregeana 2 	C33H42O13	646.262541	NA	MeJP	NA	NA
+PJ011954	AAPEEM 	C26H42N6O11S	646.2633	NA	PeJP	NA	NA
+PJ011955	GPPCHH 	C27H38N10O7S	646.2646	NA	PeJP	NA	NA
+MJ088351	Atractyligenin; 2-[2-(3-Methylbutanoyl)-3-O-sulfo-?-D-glucopyranoside] 	C30H46O13S	646.265912	NA	MeJP	NA	NA
+PJ011956	NNDER 	C23H38N10O12	646.2671	NA	PeJP	NA	NA
+PJ011957	TCMHR 	C24H42N10O7S2	646.268	NA	PeJP	NA	NA
+7881	peptide from myofibrillar protein, pork muscles	IEAEGE	646.268	antibacterial	Inhouse_peptide	NA	peptide
+30	Myofibrillar	IEAEGE	646.27	celiac toxic	Inhouse_peptide	NA	peptide
+PJ011958	GQQEW 	C28H38N8O10	646.2711	NA	PeJP	NA	NA
+PJ011959	PDEMR 	C25H42N8O10S	646.2745	NA	PeJP	NA	NA
+PJ011960	GNFFY 	C33H38N6O8	646.2751	NA	PeJP	NA	NA
+MJ088352	12-Hydroxydaphnetoxin; 12?-form, 12-(2E,4E,6E-Decatrienoyl) 	C37H42O10	646.277797	NA	MeJP	NA	NA
+MJ088353	Ohchinolide A 	C37H42O10	646.277797	NA	MeJP	NA	NA
+MJ088354	Resiniferonol; 14-(Phenylacetyl), 20-(3-hydroxy-5-methoxyphenylacetyl) 	C37H42O10	646.277797	NA	MeJP	NA	NA
+C09102	Gniditrin	C37H42O10	646.2778	NA	KEGG	NA	NA
+PJ011961	PVDMW 	C30H42N6O8S	646.2785	NA	PeJP	NA	NA
+MJ088355	N-[2-[[[4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-3-quinolinecarboxamide 	C38H38N4O6	646.279134	NA	MeJP	NA	NA
+PJ011962	LQEEE 	C26H42N6O13	646.281	NA	PeJP	NA	NA
+MJ088356	Petuniasterone N 	C34H46O10S	646.281168	NA	MeJP	NA	NA
+PJ011963	APPTMM 	C27H46N6O8S2	646.2819	NA	PeJP	NA	NA
+PJ011964	GNDRW 	C27H38N10O9	646.2823	NA	PeJP	NA	NA
+PJ011965	GGGDRW 	C27H38N10O9	646.2824	NA	PeJP	NA	NA
+PJ011966	GSPCQR 	C24H42N10O9S	646.2857	NA	PeJP	NA	NA
+PJ011967	QQWW 	C32H38N8O7	646.2864	NA	PeJP	NA	NA
+MJ088357	Aglaine B; 3'-Hydroxy 	C36H42N2O9	646.28903	NA	MeJP	NA	NA
+MJ088358	Aglaine B; 3,4-Diepimer, 3'-hydroxy 	C36H42N2O9	646.28903	NA	MeJP	NA	NA
+MJ088359	Aglaxiflorin D 	C36H42N2O9	646.28903	NA	MeJP	NA	NA
+PJ011968	PCNKW 	C29H42N8O7S	646.2897	NA	PeJP	NA	NA
+PJ011969	GGPCKW 	C29H42N8O7S	646.2898	NA	PeJP	NA	NA
+PJ011970	STTTTH 	C25H42N8O12	646.2922	NA	PeJP	NA	NA
+PJ011971	VDEER 	C25H42N8O12	646.2923	NA	PeJP	NA	NA
+PJ011972	TKMMH 	C26H46N8O7S2	646.2931	NA	PeJP	NA	NA
+PJ011973	ALEEW 	C30H42N6O10	646.2963	NA	PeJP	NA	NA
+PJ011974	APHHW 	C31H38N10O6	646.2976	NA	PeJP	NA	NA
+MJ088360	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2-dibutanoyl, 6,14-di-Ac 	C34H46O12	646.298926	NA	MeJP	NA	NA
+MJ088361	Xyloccensin I 	C34H46O12	646.298926	NA	MeJP	NA	NA
+PJ011975	GPTLEM 	C27H46N6O10S	646.2996	NA	PeJP	NA	NA
+PJ011976	GMHFR 	C28H42N10O6S	646.301	NA	PeJP	NA	NA
+PJ011977	SQQER 	C24H42N10O11	646.3035	NA	PeJP	NA	NA
+PJ011978	GQKEW 	C29H42N8O9	646.3075	NA	PeJP	NA	NA
+MJ088362	Thyrsiferol; 23-Ac 	C32H55BrO8	646.308031	NA	MeJP	NA	NA
+PJ011979	GSPQKM 	C26H46N8O9S	646.3109	NA	PeJP	NA	NA
+PJ011980	PPTFW 	C34H42N6O7	646.3115	NA	PeJP	NA	NA
+MJ088363	Neogambogic acid 	C38H46O9	646.314183	NA	MeJP	NA	NA
+MJ088364	Nimbolinin B; 12-Me ether, O7-detigloyl, O1-de-Ac, O1-cinnamoyl 	C38H46O9	646.314183	NA	MeJP	NA	NA
+PJ011981	SNDRR 	C23H42N12O10	646.3147	NA	PeJP	NA	NA
+PJ011982	PTLMW 	C31H46N6O7S	646.3149	NA	PeJP	NA	NA
+PJ011983	LKEEE 	C27H46N6O12	646.3174	NA	PeJP	NA	NA
+PJ011984	GPVLMM 	C28H50N6O7S2	646.3183	NA	PeJP	NA	NA
+PJ011985	GTQRW 	C28H42N10O8	646.3187	NA	PeJP	NA	NA
+PJ011986	GGGGPFR 	C28H42N10O8	646.3188	NA	PeJP	NA	NA
+7018	synthetic peptide from alpha-gliadin	PCMDVVLQQHNI	646.3201	MH2+	Inhouse_peptide	NA	peptide
+PJ011987	VNQMR 	C25H46N10O8S	646.3221	NA	PeJP	NA	NA
+PJ011988	QKWW 	C33H42N8O6	646.3228	NA	PeJP	NA	NA
+MJ088365	Cytotrienin A; Quinone 	C37H46N2O8	646.325416	NA	MeJP	NA	NA
+PJ011989	PPMFR 	C30H46N8O6S	646.3261	NA	PeJP	NA	NA
+PJ011990	TLEER 	C26H46N8O11	646.3286	NA	PeJP	NA	NA
+PJ011991	PLMMR 	C27H50N8O6S2	646.3295	NA	PeJP	NA	NA
+PJ011992	PTHHR 	C27H42N12O7	646.33	NA	PeJP	NA	NA
+PJ011993	SLLEW 	C31H46N6O9	646.3326	NA	PeJP	NA	NA
+PJ011994	VTLEW 	C31H46N6O9	646.3327	NA	PeJP	NA	NA
+PJ011995	GQMRR 	C24H46N12O7S	646.3333	NA	PeJP	NA	NA
+PJ011996	GGAMRR 	C24H46N12O7S	646.3334	NA	PeJP	NA	NA
+MJ088366	Fevicordin F; 25-Deoxy, 23,24-dihydro, 25,26-didehydro, 22-ketone, 2-O-?-D-glucopyranoside 	C35H50O11	646.335312	NA	MeJP	NA	NA
+MJ088367	Fevicordin F; 25-Deoxy, 25,26-didehydro, 2-O-?-D-glucopyranoside 	C35H50O11	646.335312	NA	MeJP	NA	NA
+PJ011997	AALLEM 	C28H50N6O9S	646.336	NA	PeJP	NA	NA
+MJ088368	Chondramide A 	C36H46N4O7	646.336649	NA	MeJP	NA	NA
+MJ088369	Cholest-22-ene-3,6,15,24-tetrol, 24-O-[4-Sulfato-?-D-xylopyranoside] 	C32H54O11S	646.338683	NA	MeJP	NA	NA
+PJ011998	SQKER 	C25H46N10O10	646.3399	NA	PeJP	NA	NA
+PJ011999	GKKEW 	C30H46N8O8	646.3439	NA	PeJP	NA	NA
+PJ012000	GCRRR 	C23H46N14O6S	646.3446	NA	PeJP	NA	NA
+PJ012001	LQQKM 	C27H50N8O8S	646.3472	NA	PeJP	NA	NA
+PJ012002	VLEMR 	C27H50N8O8S	646.3473	NA	PeJP	NA	NA
+PJ012003	PVVFW 	C35H46N6O6	646.3479	NA	PeJP	NA	NA
+PJ012004	STQRR 	C24H46N12O9	646.3511	NA	PeJP	NA	NA
+PJ012005	VVLMW 	C32H50N6O6S	646.3513	NA	PeJP	NA	NA
+MJ088370	Criophylline 	C40H46N4O4	646.351905	NA	MeJP	NA	NA
+MJ088371	Ervafolidine; 14',15'-Deepoxy, 14',15'-didehydro 	C40H46N4O4	646.351905	NA	MeJP	NA	NA
+MJ088372	Pandaca caducifolia Alkaloid E 	C40H46N4O4	646.351905	NA	MeJP	NA	NA
+MJ088373	Pandaca caducifolia Alkaloid F 	C40H46N4O4	646.351905	NA	MeJP	NA	NA
+PJ012006	ATTLLE 	C28H50N6O11	646.3538	NA	PeJP	NA	NA
+PJ012007	GTKRW 	C29H46N10O7	646.3551	NA	PeJP	NA	NA
+MJ088374	1,6,10,14-Phytatetraene-3,12,17-triol, 3,17-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088375	15,19-Dihydroxy-7-labden-6-one, Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088376	16,17,19-Kauranetriol, 17,19-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088377	16,17,19-Kauranetriol, 19-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088378	16,17,19-Kauranetriol, 17,19-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088379	2,16,17-Kauranetriol, O2,O17-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088380	3,16,17-Kauranetriol, 3,17-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088381	3-O-?-L-Rhamnopyranosyl-L-rhamnose; ?-Pyranose-form, Octyl glycoside, 4-O-hexanoyl, 2',3',4'-tri-Ac 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088382	8(14)-Pimarene-3,15,16-triol, 3,15-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088383	8(17),13-Labdadiene-3,15,18-triol, 15,18-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088384	8(17),13-Labdadiene-6,15,18-triol, 15,18-Di-O-?-D-Glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088385	8(17),13-Labdadiene-6,15,19-triol, 15,19-Di-O-?-D-glucopyranoside 	C32H54O13	646.356441	NA	MeJP	NA	NA
+MJ088386	8(17)-Labdene-15,19-diol, 19-Carboxylic acid, 15-O-?-D-glucopyranoside, 19-?-D-glucopyranosyl ester 	C32H54O13	646.356441	NA	MeJP	NA	NA
+PJ012008	VNKMR 	C26H50N10O7S	646.3585	NA	PeJP	NA	NA
+PJ012009	KKWW 	C34H46N8O5	646.3591	NA	PeJP	NA	NA
+PJ012010	DKKKE 	C27H50N8O10	646.365	NA	PeJP	NA	NA
+PJ012011	VVHHR 	C28H46N12O6	646.3664	NA	PeJP	NA	NA
+PJ012012	AAPLLY 	C32H50N6O8	646.369	NA	PeJP	NA	NA
+PJ012013	GKMRR 	C25H50N12O6S	646.3697	NA	PeJP	NA	NA
+MJ088387	18,19-Epoxy-3,12,14-clerodatriene-2,6,7,18,19-pentol, 7-Decanoyl, 6,18,19-tri-Ac 	C36H54O10	646.371697	NA	MeJP	NA	NA
+MJ088388	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C36H54O10	646.371697	NA	MeJP	NA	NA
+MJ088389	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C36H54O10	646.371697	NA	MeJP	NA	NA
+MJ088390	Abrusogenin; 3-O-?-D-Glucopyranoside 	C36H54O10	646.371697	NA	MeJP	NA	NA
+MJ088391	Hexamycin 	C36H54O10	646.371697	NA	MeJP	NA	NA
+C08920	Abrusoside A	C36H54O10	646.3717	NA	KEGG	NA	NA
+PJ012014	GTLLLM 	C29H54N6O8S	646.3724	NA	PeJP	NA	NA
+PJ012015	SKKER 	C26H50N10O9	646.3762	NA	PeJP	NA	NA
+PJ012016	GSSLKR 	C26H50N10O9	646.3763	NA	PeJP	NA	NA
+PJ012017	SVKKW 	C31H50N8O7	646.3803	NA	PeJP	NA	NA
+PJ012018	LQKKM 	C28H54N8O7S	646.3836	NA	PeJP	NA	NA
+PJ012019	GALKKM 	C28H54N8O7S	646.3837	NA	PeJP	NA	NA
+PJ012020	STKRR 	C25H50N12O8	646.3875	NA	PeJP	NA	NA
+MJ088392	Tabernaemontabovine 	C41H50N4O3	646.388291	NA	MeJP	NA	NA
+PJ012021	STTLLL 	C29H54N6O10	646.3902	NA	PeJP	NA	NA
+PJ012022	LLKHH 	C30H50N10O6	646.3915	NA	PeJP	NA	NA
+PJ012023	CLKKR 	C27H54N10O6S	646.3949	NA	PeJP	NA	NA
+PJ012024	GTTLKK 	C28H54N8O9	646.4014	NA	PeJP	NA	NA
+PJ012025	AALLLF 	C33H54N6O7	646.4054	NA	PeJP	NA	NA
+MJ088393	3,15-Dihydroxy-12-oleanen-16-one, 3-O-(6-O-Methyl-?-D-glucuronopyranoside) 	C37H58O9	646.408083	NA	MeJP	NA	NA
+MJ088394	3,7-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 3-Ketone, 7-O-?-D-glucopyranoside 	C37H58O9	646.408083	NA	MeJP	NA	NA
+MJ088395	Hederagenin 3-glycosides; Monoglycosides, 3-O-(2-O-Acetyl-?-L-arabinopyranoside) 	C37H58O9	646.408083	NA	MeJP	NA	NA
+MJ088396	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucuronopyranoside, 6'-Me ester 	C37H58O9	646.408083	NA	MeJP	NA	NA
+PJ012026	VLLFR 	C32H54N8O6	646.4167	NA	PeJP	NA	NA
+PJ012027	LKKKM 	C29H58N8O6S	646.42	NA	PeJP	NA	NA
+MJ088397	1,3,27,29-Triacontanetetrol, 27-Ketone, 1-O-?-D-glucopyranoside 	C36H70O9	646.501983	NA	MeJP	NA	NA
+MJ088398	1,3,27,29-Triacontanetetrol, 3-Ketone, 1-O-?-D-galactopyranoside 	C36H70O9	646.501983	NA	MeJP	NA	NA
+MJ088399	1,3,27,29-Triacontanetetrol, 3-Ketone, 1-O-?-D-glucopyranoside 	C36H70O9	646.501983	NA	MeJP	NA	NA
+EUR1034	d18:1-12:0 SM monoisotopic mass 	C35H71N2O6P	646.504976	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1034	d18:1-12:0 SM monoisotopic mass 	C35H71N2O6P	646.504976	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1034	d18:1-12:0 SM monoisotopic mass 	C35H71N2O6P	646.504976	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1034	d18:1-12:0 SM monoisotopic mass 	C35H71N2O6P	646.504976	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12096	SM(d18:1/12:0)	C35H71N2O6P	646.505005	NA	HMDB2010	NA	NA
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR534	12 :0 SM F1	NA	646.510325	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ088400	41-Hydroxy-2,42-tritetracontapentaenediynoic acid; Me ester 	C44H70O3	646.532496	NA	MeJP	NA	NA
+HMDB05235	DG(18:2(9Z,12Z)/20:1(11Z)/0:0)[iso2]	C41H74O5	646.55365	http://www.hmdb.ca/metabolites/HMDB05235	HMDB	NA	NA
+HMDB05235	DG(18:2(9Z,12Z)/20:1(11Z)/0:0)[iso2]	C41H74O5	646.55365	HMDB05235	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07146	DG(16:1(9Z)/22:2(13Z,16Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07168	DG(18:0/20:3(5Z,8Z,11Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07169	DG(18:0/20:3(8Z,11Z,14Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07196	DG(18:1(11Z)/20:2(11Z,14Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07225	DG(18:1(9Z)/20:2(11Z,14Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07253	DG(18:2(9Z,12Z)/20:1(11Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07281	DG(18:3(6Z,9Z,12Z)/20:0/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07310	DG(18:3(9Z,12Z,15Z)/20:0/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07365	DG(20:0/18:3(6Z,9Z,12Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07366	DG(20:0/18:3(9Z,12Z,15Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07393	DG(20:1(11Z)/18:2(9Z,12Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07420	DG(20:2(11Z,14Z)/18:1(11Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07421	DG(20:2(11Z,14Z)/18:1(9Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07448	DG(20:3(5Z,8Z,11Z)/18:0/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07477	DG(20:3(8Z,11Z,14Z)/18:0/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB07650	DG(22:2(13Z,16Z)/16:1(9Z)/0:0)	C41H74O5	646.55365	NA	HMDB2010	NA	NA
+HMDB10369	CE(18:3(6Z,9Z,12Z))	C45H74O2	646.568909	NA	HMDB2010	NA	NA
+HMDB10370	CE(18:3(9Z,12Z,15Z))	C45H74O2	646.568909	NA	HMDB2010	NA	NA
+HMDB00604	Cholesteryl linolenic acid	C45H74O2	646.56891	http://www.hmdb.ca/metabolites/HMDB00604	HMDB	NA	NA
+HMDB03975	Cholesteryl octadecatrienoate	C45H74O2	646.56891	http://www.hmdb.ca/metabolites/HMDB03975	HMDB	NA	NA
+HMDB00604	Cholesteryl linolenic acid	C45H74O2	646.56891	HMDB00604	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03975	Cholesteryl octadecatrienoate	C45H74O2	646.56891	HMDB03975	PFEM_hmdb_metabocards_official	NA	NA
+MJ088401	2-Methyl-19-triacontenoic acid, Tridecyl ester 	C44H86O2	646.662781	NA	MeJP	NA	NA
+PJ012028	CCCCCN 	C19H33N7O8S5	647.0994	NA	PeJP	NA	NA
+PJ012029	CCEMY 	C25H37N5O9S3	647.1754	NA	PeJP	NA	NA
+PJ012030	GCCNDH 	C22H33N9O10S2	647.1792	NA	PeJP	NA	NA
+PJ012031	DDMMH 	C24H37N7O10S2	647.2044	NA	PeJP	NA	NA
+PJ012032	PCCYY 	C29H37N5O8S2	647.2084	NA	PeJP	NA	NA
+PJ012033	TCMMY 	C26H41N5O8S3	647.2117	NA	PeJP	NA	NA
+PJ012034	GNNNDD 	C22H33N9O14	647.2147	NA	PeJP	NA	NA
+PJ012035	GGGGGGGDD 	C22H33N9O14	647.2148	NA	PeJP	NA	NA
+PJ012036	GSCNMH 	C23H37N9O9S2	647.2156	NA	PeJP	NA	NA
+PJ012037	DDDHF 	C27H33N7O12	647.2188	NA	PeJP	NA	NA
+PJ012038	GPNDDM 	C24H37N7O12S	647.2221	NA	PeJP	NA	NA
+PJ012039	CDHHH 	C25H33N11O8S	647.2235	NA	PeJP	NA	NA
+PJ012040	GDMYY 	C29H37N5O10S	647.2261	NA	PeJP	NA	NA
+PJ012041	SSSCQH 	C23H37N9O11S	647.2333	NA	PeJP	NA	NA
+PJ012042	GGSSTCH 	C23H37N9O11S	647.2334	NA	PeJP	NA	NA
+PJ012043	PCNEW 	C28H37N7O9S	647.2374	NA	PeJP	NA	NA
+PJ012044	NQEEE 	C24H37N7O14	647.2399	NA	PeJP	NA	NA
+PJ012045	TEMMH 	C25H41N7O9S2	647.2407	NA	PeJP	NA	NA
+PJ012046	GGSPPCM 	C25H41N7O9S2	647.2408	NA	PeJP	NA	NA
+MJ088402	Paulomycin B; 4'-De-O-(2-isothiocyano-2-butenoyl) 	C28H41NO16	647.242534	NA	MeJP	NA	NA
+PJ012047	SSEYY 	C29H37N5O12	647.2439	NA	PeJP	NA	NA
+PJ012048	GMMFY 	C30H41N5O7S2	647.2448	NA	PeJP	NA	NA
+PJ012049	CNQHF 	C27H37N9O8S	647.2486	NA	PeJP	NA	NA
+PJ012050	NDDER 	C23H37N9O13	647.2511	NA	PeJP	NA	NA
+PJ012051	GTCCKH 	C24H41N9O8S2	647.252	NA	PeJP	NA	NA
+PJ012052	GPCWW 	C32H37N7O6S	647.2526	NA	PeJP	NA	NA
+C01266	3'-Deoxydihydrostreptomycin 6-phosphate	C21H42N7O14P	647.2527	NA	KEGG	NA	NA
+C04526	3'-Deoxydihydrostreptomycin 3''-phosphate	C21H42N7O14P	647.2527	NA	KEGG	NA	NA
+PJ012053	GQEEW 	C28H37N7O11	647.2551	NA	PeJP	NA	NA
+PJ012054	GSPQEM 	C25H41N7O11S	647.2585	NA	PeJP	NA	NA
+PJ012055	GDFFY 	C33H37N5O9	647.2592	NA	PeJP	NA	NA
+PJ012056	VMMMH 	C26H45N7O6S3	647.2594	NA	PeJP	NA	NA
+PJ012057	SMHHH 	C26H37N11O7S	647.2598	NA	PeJP	NA	NA
+PJ012058	ATMYY 	C30H41N5O9S	647.2625	NA	PeJP	NA	NA
+PJ012059	LEEEE 	C26H41N5O14	647.265	NA	PeJP	NA	NA
+PJ012060	GDDRW 	C27H37N9O10	647.2664	NA	PeJP	NA	NA
+PJ012061	GSPCER 	C24H41N9O10S	647.2697	NA	PeJP	NA	NA
+PJ012062	GGGGAAQM 	C24H41N9O10S	647.2698	NA	PeJP	NA	NA
+PJ012063	QEWW 	C32H37N7O8	647.2704	NA	PeJP	NA	NA
+PJ012064	SPQMW 	C29H41N7O8S	647.2737	NA	PeJP	NA	NA
+PJ012065	GGPTMW 	C29H41N7O8S	647.2738	NA	PeJP	NA	NA
+PJ012066	SSSSSPP 	C25H41N7O13	647.2762	NA	PeJP	NA	NA
+PJ012067	NKEEE 	C25H41N7O13	647.2763	NA	PeJP	NA	NA
+PJ012068	AAPQMM 	C26H45N7O8S2	647.2771	NA	PeJP	NA	NA
+PJ012069	GSPNHH 	C26H37N11O9	647.2776	NA	PeJP	NA	NA
+PJ012070	GMFFF 	C34H41N5O6S	647.2778	NA	PeJP	NA	NA
+PJ012071	TTTYY 	C30H41N5O11	647.2803	NA	PeJP	NA	NA
+PJ012072	NNNMR 	C23H41N11O9S	647.281	NA	PeJP	NA	NA
+PJ012073	SPCRW 	C28H41N9O7S	647.285	NA	PeJP	NA	NA
+PJ012074	AWWW 	C36H37N7O5	647.2856	NA	PeJP	NA	NA
+PJ012075	SQEER 	C24H41N9O12	647.2875	NA	PeJP	NA	NA
+PJ012076	PNMMR 	C25H45N9O7S2	647.2884	NA	PeJP	NA	NA
+PJ012077	GKEEW 	C29H41N7O10	647.2915	NA	PeJP	NA	NA
+PJ012078	AHHHF 	C30H37N11O6	647.2929	NA	PeJP	NA	NA
+MJ088403	Aconifine; N-De-Et, N-Me 	C33H45NO12	647.294175	NA	MeJP	NA	NA
+PJ012079	GSPKEM 	C26H45N7O10S	647.2949	NA	PeJP	NA	NA
+PJ012080	GVFYY 	C34H41N5O8	647.2955	NA	PeJP	NA	NA
+PJ012081	SDDRR 	C23H41N11O11	647.2987	NA	PeJP	NA	NA
+PJ012082	GTERW 	C28H41N9O9	647.3027	NA	PeJP	NA	NA
+PJ012083	GGGGSKW 	C28H41N9O9	647.3028	NA	PeJP	NA	NA
+PJ012084	VNEMR 	C25H45N9O9S	647.3061	NA	PeJP	NA	NA
+PJ012085	KEWW 	C33H41N7O7	647.3068	NA	PeJP	NA	NA
+PJ012086	SPKMW 	C30H45N7O7S	647.3101	NA	PeJP	NA	NA
+PJ012087	GAALMW 	C30H45N7O7S	647.3102	NA	PeJP	NA	NA
+PJ012088	DKKEE 	C26H45N7O12	647.3126	NA	PeJP	NA	NA
+PJ012089	AATKEE 	C26H45N7O12	647.3127	NA	PeJP	NA	NA
+PJ012090	AAPKMM 	C27H49N7O7S2	647.3135	NA	PeJP	NA	NA
+PJ012091	VQQHH 	C27H41N11O8	647.314	NA	PeJP	NA	NA
+PJ012092	CNQKR 	C24H45N11O8S	647.3173	NA	PeJP	NA	NA
+PJ012093	GEMRR 	C24H45N11O8S	647.3174	NA	PeJP	NA	NA
+PJ012094	TRWW 	C32H41N9O6	647.318	NA	PeJP	NA	NA
+PJ012095	GVMRW 	C29H45N9O6S	647.3214	NA	PeJP	NA	NA
+PJ012096	SKEER 	C25H45N9O11	647.3239	NA	PeJP	NA	NA
+PJ012097	AQHHR 	C26H41N13O7	647.3252	NA	PeJP	NA	NA
+PJ012098	SVKEW 	C30H45N7O9	647.3279	NA	PeJP	NA	NA
+MJ088404	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O8,O16,O18-Penta-Me, N-Et, 14-O-(4-methoxybenzoyl) 	C34H49NO11	647.330561	NA	MeJP	NA	NA
+MJ088405	4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl) 	C34H49NO11	647.330561	NA	MeJP	NA	NA
+PJ012099	LQKEM 	C27H49N7O9S	647.3313	NA	PeJP	NA	NA
+PJ012100	MRRW 	C28H45N11O5S	647.3326	NA	PeJP	NA	NA
+PJ012101	STERR 	C24H45N11O10	647.3351	NA	PeJP	NA	NA
+PJ012102	SSLRW 	C29H45N9O8	647.3391	NA	PeJP	NA	NA
+MJ088406	Iprotiazem 	C37H49N3O5S	647.339292	NA	MeJP	NA	NA
+PJ012103	VDKMR 	C26H49N9O8S	647.3425	NA	PeJP	NA	NA
+PJ012104	APKFW 	C34H45N7O6	647.3432	NA	PeJP	NA	NA
+PJ012105	ALKMW 	C31H49N7O6S	647.3465	NA	PeJP	NA	NA
+PJ012106	GTTLKE 	C27H49N7O11	647.349	NA	PeJP	NA	NA
+PJ012107	GPRRY 	C28H45N11O7	647.3504	NA	PeJP	NA	NA
+PJ012108	SVMRR 	C25H49N11O7S	647.3537	NA	PeJP	NA	NA
+PJ012109	GGCKKR 	C25H49N11O7S	647.3538	NA	PeJP	NA	NA
+PJ012110	GTTTLR 	C26H49N9O10	647.3603	NA	PeJP	NA	NA
+PJ012111	AKHHR 	C27H45N13O6	647.3616	NA	PeJP	NA	NA
+PJ012112	TTLKW 	C31H49N7O8	647.3643	NA	PeJP	NA	NA
+PJ012113	LKKEM 	C28H53N7O8S	647.3677	NA	PeJP	NA	NA
+MJ088407	Lotusine E 	C36H49N5O6	647.368284	NA	MeJP	NA	NA
+MJ088408	Mucronine D; N-De-Me 	C36H49N5O6	647.368284	NA	MeJP	NA	NA
+MJ088409	Mucronine D; O-De-Me 	C36H49N5O6	647.368284	NA	MeJP	NA	NA
+MJ088410	Paliurine B 	C36H49N5O6	647.368284	NA	MeJP	NA	NA
+MJ088411	Paliurine C; 2''-N-De-Me 	C36H49N5O6	647.368284	NA	MeJP	NA	NA
+PJ012114	PTKFR 	C30H49N9O7	647.3755	NA	PeJP	NA	NA
+PJ012115	TLKMR 	C27H53N9O7S	647.3789	NA	PeJP	NA	NA
+C13902	1-Palmitoyl-2-(5-keto-8-oxo-6-octenoyl)-sn-glycero-3-	C32H58NO10P	647.3798	NA	KEGG	NA	NA
+PJ012116	SSTLLK 	C28H53N7O10	647.3854	NA	PeJP	NA	NA
+PJ012117	GLFRR 	C29H49N11O6	647.3868	NA	PeJP	NA	NA
+PJ012118	ASSKKK 	C27H53N9O9	647.3966	NA	PeJP	NA	NA
+PJ012119	GSTKKK 	C27H53N9O9	647.3967	NA	PeJP	NA	NA
+PJ012120	PLKKY 	C32H53N7O7	647.4007	NA	PeJP	NA	NA
+PJ012121	VVKFR 	C31H53N9O6	647.4119	NA	PeJP	NA	NA
+PJ012122	LLKKF 	C33H57N7O6	647.4371	NA	PeJP	NA	NA
+HMDB08856	PE(14:1(9Z)/15:0)	C34H66NO8P	647.452576	NA	HMDB2010	NA	NA
+HMDB08888	PE(15:0/14:1(9Z))	C34H66NO8P	647.452576	NA	HMDB2010	NA	NA
+HMDB08850	PE(14:0/P-16:0)	C35H70NO7P	647.489014	NA	HMDB2010	NA	NA
+HMDB11335	PE(P-16:0/14:0)	C35H70NO7P	647.489014	NA	HMDB2010	NA	NA
+HMDB04953	Ceramide (d18:1/24:1(15Z))	C42H81NO3	647.62164	http://www.hmdb.ca/metabolites/HMDB04953	HMDB	NA	NA
+HMDB04953	Ceramide (d18:1/24:1(15Z))	C42H81NO3	647.62164	HMDB04953	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04953	Ceramide (d18:1/24:1(15Z))	C42H81NO3	647.621643	NA	HMDB2010	NA	NA
+8136	peptide derived from rice (Oryza sativa L,)	DHHQVYSPGEQ	647.76845	MH2+	Inhouse_peptide	NA	peptide
+8124	secretory peptide hormone - angiotensin I	DRVYIHPFHL	647.83145	MH2+	Inhouse_peptide	NA	peptide
+MJ088412	Calmidazolium(1+) 	C31H23Cl6N2O(+)	647.986329	NA	MeJP	NA	NA
+PJ012123	CCCCCD 	C19H32N6O9S5	648.0835	NA	PeJP	NA	NA
+MJ088413	Quinic acid, 1,3,4-Tris(3,4,5-trihydroxybenzoyl) 	C28H24O18	648.096263	NA	MeJP	NA	NA
+MJ088414	Quinic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl) 	C28H24O18	648.096263	NA	MeJP	NA	NA
+MJ088415	?-Actinorhodin 	C32H24O15	648.11152	NA	MeJP	NA	NA
+MJ088416	?-Isoactinorhodin 	C32H24O15	648.11152	NA	MeJP	NA	NA
+PJ012124	SCCCCM 	C20H36N6O8S5	648.1198	NA	PeJP	NA	NA
+PJ012125	ACCCCF 	C24H36N6O7S4	648.1529	NA	PeJP	NA	NA
+PJ012126	GCCDDH 	C22H32N8O11S2	648.1632	NA	PeJP	NA	NA
+MJ088417	Paeoniflorin; 4''-Hydroxy, 6'-(3,4,5-trihydroxybenzoyl) 	C30H32O16	648.169034	NA	MeJP	NA	NA
+MJ088418	Pyranocyanin B; 5'-Hydroxy, 6''-O-?-L-rhamnopyranosyl 	C30H33O16(+)	648.169035	NA	MeJP	NA	NA
+PJ012127	GTCCCY 	C24H36N6O9S3	648.1706	NA	PeJP	NA	NA
+PJ012128	SPCCCH 	C23H36N8O8S3	648.1819	NA	PeJP	NA	NA
+PJ012129	SSSCCY 	C24H36N6O11S2	648.1884	NA	PeJP	NA	NA
+MJ088419	7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one; O-[?-L-Arabinopyranosyl-(1?3)-?-D-galactopyranosyl-(1?6)-?-D-glucopyranoside] 	C27H36O18	648.190164	NA	MeJP	NA	NA
+PJ012130	GNNDDD 	C22H32N8O15	648.1987	NA	PeJP	NA	NA
+PJ012131	GGGNDDD 	C22H32N8O15	648.1988	NA	PeJP	NA	NA
+PJ012132	GSCDMH 	C23H36N8O10S2	648.1996	NA	PeJP	NA	NA
+PJ012133	CCNFY 	C28H36N6O8S2	648.2036	NA	PeJP	NA	NA
+MJ088420	Hypoxylon oceanicum Macrolide antibiotic 	C31H36O15	648.20542	NA	MeJP	NA	NA
+MJ088421	Swertisin; 2''-O-(2-O-Acetyl-?-L-rhamnopyranosyl), 4'-Me ether 	C31H36O15	648.20542	NA	MeJP	NA	NA
+FL3FCBCS0007	Embigenin 2''-(2'''-acetylrhamnoside)	C31H36O15	648.20542	94805-88-6	knapsack	NA	NA
+PJ012134	GPDDDM 	C24H36N6O13S	648.2061	NA	PeJP	NA	NA
+MJ088422	Schizophyllan 	C24H40O20	648.211293	NA	MeJP	NA	NA
+PJ012135	TCCHW 	C27H36N8O7S2	648.2149	NA	PeJP	NA	NA
+PJ012136	SSSCEH 	C23H36N8O12S	648.2174	NA	PeJP	NA	NA
+PJ012137	CQMMH 	C24H40N8O7S3	648.2182	NA	PeJP	NA	NA
+MJ088423	Antibiotic TAN 1532B; 5,6-Didehydro, 13-O-(6-deoxyhexopyranosyl) 	C35H36O12	648.220676	NA	MeJP	NA	NA
+MJ088424	Feroxidin; 6-O-[4,6-Bis-(4-hydroxycinnamoyl)-?-D-glucopyranoside] 	C35H36O12	648.220676	NA	MeJP	NA	NA
+MJ088425	Rutaevin; O-(3,4-Dihydroxycinnamoyl)(E-) 	C35H36O12	648.220676	NA	MeJP	NA	NA
+PJ012138	PCDEW 	C28H36N6O10S	648.2214	NA	PeJP	NA	NA
+PJ012139	NEEEE 	C24H36N6O15	648.2239	NA	PeJP	NA	NA
+PJ012140	SPPCDM 	C25H40N6O10S2	648.2248	NA	PeJP	NA	NA
+PJ012141	GCNNNQ 	C22H36N10O11S	648.2286	NA	PeJP	NA	NA
+PJ012142	CCMHR 	C23H40N10O6S3	648.2295	NA	PeJP	NA	NA
+PJ012143	CNEHF 	C27H36N8O9S	648.2326	NA	PeJP	NA	NA
+PJ012144	DDDER 	C23H36N8O14	648.2351	NA	PeJP	NA	NA
+MJ088426	Chalcomoracin 	C39H36O9	648.235932	NA	MeJP	NA	NA
+MJ088427	Mulberrofuran U 	C39H36O9	648.235932	NA	MeJP	NA	NA
+PJ012145	GSSMMH 	C24H40N8O9S2	648.236	NA	PeJP	NA	NA
+PJ012146	ADEEW 	C28H36N6O12	648.2391	NA	PeJP	NA	NA
+PJ012147	GEEEW 	C28H36N6O12	648.2392	NA	PeJP	NA	NA
+MJ088428	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 1,2,6,8,14-penta-Ac 	C32H40O14	648.241805	NA	MeJP	NA	NA
+MJ088429	Isocycloatalantin; 17-O-?-D-Glucopyranoside 	C32H40O14	648.241805	NA	MeJP	NA	NA
+PJ012148	GSPEEM 	C25H40N6O12S	648.2425	NA	PeJP	NA	NA
+PJ012149	APPCMM 	C26H44N6O7S3	648.2434	NA	PeJP	NA	NA
+PJ012150	SSNNNN 	C22H36N10O13	648.2463	NA	PeJP	NA	NA
+PJ012151	GGSSNNN 	C22H36N10O13	648.2464	NA	PeJP	NA	NA
+MJ088430	Bipowine 	C38H36N2O8	648.247166	NA	MeJP	NA	NA
+MJ088431	Thalfine 	C38H36N2O8	648.247166	NA	MeJP	NA	NA
+PJ012152	GPCCNR 	C23H40N10O8S2	648.2472	NA	PeJP	NA	NA
+PJ012153	GCHFW 	C31H36N8O6S	648.2479	NA	PeJP	NA	NA
+PJ012154	SNNEW 	C27H36N8O11	648.2504	NA	PeJP	NA	NA
+PJ012155	SSSTMH 	C24H40N8O11S	648.2537	NA	PeJP	NA	NA
+PJ012156	GGQQEM 	C24H40N8O11S	648.2538	NA	PeJP	NA	NA
+PJ012157	EEWW 	C32H36N6O9	648.2544	NA	PeJP	NA	NA
+PJ012158	CKMMH 	C25H44N8O6S3	648.2546	NA	PeJP	NA	NA
+MJ088432	Voamatin A 	C36H40O11	648.257062	NA	MeJP	NA	NA
+PJ012159	SPEMW 	C29H40N6O9S	648.2578	NA	PeJP	NA	NA
+PJ012160	DKEEE 	C25H40N6O14	648.2603	NA	PeJP	NA	NA
+PJ012161	SSPPMM 	C26H44N6O9S2	648.2611	NA	PeJP	NA	NA
+PJ012162	AAPEMM 	C26H44N6O9S2	648.2612	NA	PeJP	NA	NA
+PJ012163	GSPDHH 	C26H36N10O10	648.2616	NA	PeJP	NA	NA
+PJ012164	NNDMR 	C23H40N10O10S	648.265	NA	PeJP	NA	NA
+PJ012165	GSNWW 	C31H36N8O8	648.2656	NA	PeJP	NA	NA
+PJ012166	GQQMW 	C28H40N8O8S	648.269	NA	PeJP	NA	NA
+PJ012167	SEEER 	C24H40N8O13	648.2715	NA	PeJP	NA	NA
+PJ012168	PDMMR 	C25H44N8O8S2	648.2724	NA	PeJP	NA	NA
+PJ012169	NNQHH 	C25H36N12O9	648.2728	NA	PeJP	NA	NA
+PJ012170	GGNQHH 	C25H36N12O9	648.2729	NA	PeJP	NA	NA
+PJ012171	PPCFW 	C33H40N6O6S	648.273	NA	PeJP	NA	NA
+PJ012172	SVEEW 	C29H40N6O11	648.2755	NA	PeJP	NA	NA
+PJ012173	PCLMW 	C30H44N6O6S2	648.2764	NA	PeJP	NA	NA
+MJ088433	Meliacarpinin; 11-Methoxy, 3-tigloyl 	C33H44O13	648.278191	NA	MeJP	NA	NA
+PJ012174	LQEEM 	C26H44N6O11S	648.2789	NA	PeJP	NA	NA
+PJ012175	GCQRW 	C27H40N10O7S	648.2802	NA	PeJP	NA	NA
+PJ012176	GGACRW 	C27H40N10O7S	648.2803	NA	PeJP	NA	NA
+MJ088434	Maytansinol; 3-O-(3-Methylbutanoyl) 	C33H45ClN2O9	648.281358	NA	MeJP	NA	NA
+PJ012177	GSSNER 	C23H40N10O12	648.2827	NA	PeJP	NA	NA
+PJ012178	GGGSSER 	C23H40N10O12	648.2828	NA	PeJP	NA	NA
+PJ012179	STQQW 	C28H40N8O10	648.2867	NA	PeJP	NA	NA
+PJ012180	SNDKW 	C28H40N8O10	648.2868	NA	PeJP	NA	NA
+PJ012181	VDEMR 	C25H44N8O10S	648.2901	NA	PeJP	NA	NA
+PJ012182	GGGAKEM 	C25H44N8O10S	648.2902	NA	PeJP	NA	NA
+PJ012183	SPPYW 	C33H40N6O8	648.2908	NA	PeJP	NA	NA
+PJ012184	PCHHR 	C26H40N12O6S	648.2915	NA	PeJP	NA	NA
+C09096	Gnididin	C37H44O10	648.2934	NA	KEGG	NA	NA
+MJ088435	12-Hydroxydaphnetoxin; 12?-form, 12-(2E,4E-Decadienoyl) 	C37H44O10	648.293447	NA	MeJP	NA	NA
+MJ088436	Gnidilatidin 	C37H44O10	648.293447	NA	MeJP	NA	NA
+MJ088437	Nimbolinin B; O7-Detigloyl, O7-benzoyl 	C37H44O10	648.293447	NA	MeJP	NA	NA
+PJ012185	ALEMW 	C30H44N6O8S	648.2942	NA	PeJP	NA	NA
+PJ012186	GTTLEE 	C26H44N6O13	648.2967	NA	PeJP	NA	NA
+PJ012187	GPTLMM 	C27H48N6O8S2	648.2975	NA	PeJP	NA	NA
+PJ012188	SSNRW 	C27H40N10O9	648.298	NA	PeJP	NA	NA
+PJ012189	SQQMR 	C24H44N10O9S	648.3014	NA	PeJP	NA	NA
+PJ012190	AQHFF 	C32H40N8O7	648.302	NA	PeJP	NA	NA
+PJ012191	GQKMW 	C29H44N8O7S	648.3054	NA	PeJP	NA	NA
+PJ012192	GSTQKE 	C25H44N8O12	648.3079	NA	PeJP	NA	NA
+MJ088438	Euphohelionone 	C41H44O7	648.308703	NA	MeJP	NA	NA
+PJ012193	APCCKK 	C26H48N8O7S2	648.3088	NA	PeJP	NA	NA
+PJ012194	AEHHR 	C26H40N12O8	648.3092	NA	PeJP	NA	NA
+PJ012195	GGGGKHH 	C26H40N12O8	648.3093	NA	PeJP	NA	NA
+MJ088439	Immunopoietin E 	C30H44N6O10	648.311891	NA	MeJP	NA	NA
+PJ012196	TTLEW 	C30H44N6O10	648.3119	NA	PeJP	NA	NA
+PJ012197	SCQRR 	C23H44N12O8S	648.3126	NA	PeJP	NA	NA
+PJ012198	GLHHW 	C31H40N10O6	648.3133	NA	PeJP	NA	NA
+MJ088440	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis-(2-methylbutanoyl), 1-Ac 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088441	14,20-Epoxy-3,15,17-trihydroxy-1-oxowitha-5,24-dienolide, 3-O-?-D-Glucopyranoside 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088442	3,3'-Diheptyl-5,5'-dihydroxydiphenyl ether-2,2'-dicarboxylic acid; O-?-D-Galactopyranoside 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088443	3,3'-Diheptyl-5,5'-dihydroxydiphenyl ether-2,2'-dicarboxylic acid; O-?-D-Glucopyranoside 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088444	3-Hydroxycarda-14,16,20(22)-trienolide, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088445	Prasinic acid; O-De-Me, 2-O-?-D-galactofuranoside 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088446	Prasinic acid; O-De-Me, 2-O-?-D-galactopyranoside 	C34H48O12	648.314577	NA	MeJP	NA	NA
+MJ088447	Prasinic acid; O-De-Me, 2-O-?-D-glucopyranoside 	C34H48O12	648.314577	NA	MeJP	NA	NA
+PJ012199	LKEEM 	C27H48N6O10S	648.3153	NA	PeJP	NA	NA
+PJ012200	GCKRW 	C28H44N10O6S	648.3166	NA	PeJP	NA	NA
+PJ012201	GSSDKR 	C24H44N10O11	648.3191	NA	PeJP	NA	NA
+PJ012202	STQKW 	C29H44N8O9	648.3231	NA	PeJP	NA	NA
+PJ012203	GGTTKW 	C29H44N8O9	648.3232	NA	PeJP	NA	NA
+PJ012204	TLEMR 	C26H48N8O9S	648.3265	NA	PeJP	NA	NA
+PJ012205	APLYW 	C34H44N6O7	648.3272	NA	PeJP	NA	NA
+PJ012206	GSSSRR 	C23H44N12O10	648.3304	NA	PeJP	NA	NA
+PJ012207	SLLMW 	C31H48N6O7S	648.3305	NA	PeJP	NA	NA
+PJ012208	AAPLMF 	C31H48N6O7S	648.3306	NA	PeJP	NA	NA
+PJ012209	SSTLLE 	C27H48N6O12	648.333	NA	PeJP	NA	NA
+PJ012210	AALLMM 	C28H52N6O7S2	648.3339	NA	PeJP	NA	NA
+PJ012211	AQQFR 	C28H44N10O8	648.3344	NA	PeJP	NA	NA
+PJ012212	SQKMR 	C25H48N10O8S	648.3377	NA	PeJP	NA	NA
+PJ012213	GGTKMR 	C25H48N10O8S	648.3378	NA	PeJP	NA	NA
+PJ012214	PPLHW 	C33H44N8O6	648.3384	NA	PeJP	NA	NA
+MJ088448	Cytotrienin A 	C37H48N2O8	648.341066	NA	MeJP	NA	NA
+MJ088449	Mycotrienol II; Quinone, 11-O-[1-[(cyclohexylcarbonyl)amino]cyclopropanecarbonyl] 	C37H48N2O8	648.341066	NA	MeJP	NA	NA
+PJ012215	GKKMW 	C30H48N8O6S	648.3418	NA	PeJP	NA	NA
+PJ012216	GSTKKE 	C26H48N8O11	648.3443	NA	PeJP	NA	NA
+PJ012217	VLMMR 	C27H52N8O6S2	648.3451	NA	PeJP	NA	NA
+PJ012218	GNFRR 	C27H44N12O7	648.3456	NA	PeJP	NA	NA
+7731	proctolin	RYLPT	648.347	antioxidative	Inhouse_peptide	NA	peptide
+PJ012219	PLKEY 	C31H48N6O9	648.3483	NA	PeJP	NA	NA
+PJ012220	SCKRR 	C24H48N12O7S	648.349	NA	PeJP	NA	NA
+MJ088450	21,23:22,28:26,28-Triepoxystigmasta-8,14-diene-3,21,24-triol, 3-O-?-D-Glucopyranoside 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088451	3,16,24,28-Tetrahydroxystigmasta-7,9(11)-dien-21,23-olide, 3-O-?-D-Glucopyranoside 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088452	5,6-Epoxy-4(15)-eudesmene-3,7,11-triol, 11-O-[2,4-Diangeloyl-3-(2-methylpropanoyl)-?-D-fucopyranoside] 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088453	Cayaponoside A4 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088454	Cayaponoside D3b; 25-Deoxy, 24,25-didehydro 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088455	Cayaponoside D3b; 25-Deoxy, 25,26-didehydro 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088456	Fevicordin F; 22-Deoxy, 2-O-?-D-glucopyranoside 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088457	Fevicordin F; 25-Deoxy, 23,24-dihydro, 25,26-didehydro, 2-O-?-D-glucopyranoside 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088458	Fevicordin F; 25-Deoxy, ?24-isomer, 2-O-?-D-glucopyranoside 	C35H52O11	648.350962	NA	MeJP	NA	NA
+MJ088459	VE1; 16-Deacetoxy, 21-ketone, 28-hydroxy 	C35H52O11	648.350962	NA	MeJP	NA	NA
+PJ012221	ATTLLM 	C28H52N6O9S	648.3517	NA	PeJP	NA	NA
+MJ088460	Cholestane-3,6,15,24-tetrol, 24-O-?-D-Xylopyranoside, 15-sulfate 	C32H56O11S	648.354333	NA	MeJP	NA	NA
+PJ012222	GSTTKR 	C25H48N10O10	648.3555	NA	PeJP	NA	NA
+PJ012223	STKKW 	C30H48N8O8	648.3595	NA	PeJP	NA	NA
+MJ088461	Proctolin 	C30H48N8O8	648.35951	NA	MeJP	NA	NA
+PJ012224	DKKKM 	C27H52N8O8S	648.3629	NA	PeJP	NA	NA
+PJ012225	ALLFW 	C35H48N6O6	648.3636	NA	PeJP	NA	NA
+PJ012226	TTTTLL 	C28H52N6O11	648.3694	NA	PeJP	NA	NA
+PJ012227	AQKFR 	C29H48N10O7	648.3708	NA	PeJP	NA	NA
+MJ088462	1,6,10-Phytatriene-3,14,15-triol, 3,14-Di-O-?-D-glucopyranoside 	C32H56O13	648.372091	NA	MeJP	NA	NA
+MJ088463	8(17)-Labdene-6,15,19-triol, 15,19-Di-O-?-D-Glucopyranoside 	C32H56O13	648.372091	NA	MeJP	NA	NA
+MJ088464	Nb,Nb'-Methylenebismeloninium(2+); Dichloride 	C39H54Cl2N4	648.372553	NA	MeJP	NA	NA
+PJ012228	SKKMR 	C26H52N10O7S	648.3741	NA	PeJP	NA	NA
+PJ012229	SSSLKK 	C27H52N8O10	648.3807	NA	PeJP	NA	NA
+PJ012230	LLLQY 	C32H52N6O8	648.3847	NA	PeJP	NA	NA
+MJ088465	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-?-D-Galactopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088466	2,3,19-Trihydroxy-12-ursen-28-oic acid, 2-Ketone, ?-D-glucopyranosyl ester 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088467	2,3,23-Trihydroxy-11,13(18)-oleanadien-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088468	2,3,23-Trihydroxy-12,18-ursadien-28-oic acid, ?-D-Glucopyranosyl ester 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088469	2,3,23-Trihydroxy-12,19-ursadien-28-oic acid, ?-D-Glucopyranosyl ester 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088470	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088471	20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione, 6-O-?-D-Glucopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088472	3,22-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088473	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 30-Me ester 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088474	3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088475	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088476	3-Hydroxy-12-ursene-27,28-dioic acid, 27-O-?-D-Glucopyranosyl ester 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088477	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-D-Glucopyranoside 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088478	Cumindyoside B 	C36H56O10	648.387348	NA	MeJP	NA	NA
+MJ088479	Periplocagenin; 20-O-(2,6-Dideoxy-3-O-methoxymethyl-arabino-hexapyranoside) 	C36H56O10	648.387348	NA	MeJP	NA	NA
+PJ012231	VVLRY 	C31H52N8O7	648.3959	NA	PeJP	NA	NA
+MJ088480	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxy-3-methoxycinnamoyl)-(E-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088481	2,3-Dihydroxy-12-ursen-28-oic acid, 2-(4-Hydroxy-3-methoxycinnamoyl) (E-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088482	2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxy-3-methoxycinnamoyl) (E-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088483	2,3-Dihydroxy-12-ursen-28-oic acid, 3-(4-Hydroxy-3-methoxycinnamoyl) (Z-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088484	20(29)-Lupene-2,3,28-triol, 28-Carboxylic acid, 3-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088485	3,24-Dihydroxy-12-ursen-28-oic acid, 24-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088486	3,24-Dihydroxy-12-ursen-28-oic acid, 24-O-(4-Hydroxy-3-methoxy-Z-cinnamoyl) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088487	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088488	3,27-Dihydroxy-12-oleanen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088489	3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088490	3,27-Dihydroxy-12-ursen-28-oic acid, 27-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088491	Taiwaniadduct G 	C40H56O7	648.402604	NA	MeJP	NA	NA
+MJ088492	16'-Decarbomethoxy-19,20-dihydroconoduramine 	C41H52N4O3	648.403941	NA	MeJP	NA	NA
+MJ088493	16'-Decarbomethoxy-19,20-dihydrovoacamine 	C41H52N4O3	648.403941	NA	MeJP	NA	NA
+PJ012232	AKKFR 	C30H52N10O6	648.4072	NA	PeJP	NA	NA
+MJ088494	Mirabimides; Mirabimide D 	C34H56N4O8	648.409814	NA	MeJP	NA	NA
+MJ088495	Cycloarta-7,24-diene-3,21-diol; 3?-form, Dibenzoyl 	C44H56O4	648.41786	NA	MeJP	NA	NA
+MJ088496	Fla-P4 	C44H56O4	648.41786	NA	MeJP	NA	NA
+PJ012233	LLLKY 	C33H56N6O7	648.4211	NA	PeJP	NA	NA
+MJ088497	12-Oleanene-3,15,16,21,22,28-hexol, 21 or 22-(2-Acetoxy-2-methylbutanoyl) 	C37H60O9	648.423733	NA	MeJP	NA	NA
+MJ088498	3,15-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 21-O-?-D-Glucopyranosyl ester 	C37H60O9	648.423733	NA	MeJP	NA	NA
+MJ088499	3,7,25-Trihydroxycucurbita-5,23-dien-19-al, 7-O-?-D-Glucopyranoside, 25-O-Me 	C37H60O9	648.423733	NA	MeJP	NA	NA
+MJ088500	3,7-Dihydroxy-24-methylenelanost-8-en-21-oic acid, 7-O-?-D-Glucopyranoside 	C37H60O9	648.423733	NA	MeJP	NA	NA
+PJ012234	VKKKF 	C32H56N8O6	648.4323	NA	PeJP	NA	NA
+HMDB00674	Dipalmitoylphosphatidic acid	C35H69O8P	648.47302	http://www.hmdb.ca/metabolites/HMDB00674	HMDB	NA	NA
+HMDB00674	Dipalmitoylphosphatidic acid	C35H69O8P	648.47302	HMDB00674	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00674	PA(16:0/16:0)	C35H69O8P	648.473022	NA	HMDB2010	NA	NA
+MJ088501	2,27-Diamino-1,3,26-trihydroxy-11-octacosanone; 3-O-?-D-Glucopyranoside 	C34H68N2O9	648.492481	NA	MeJP	NA	NA
+C08572	Uvaricin	C39H68O7	648.4965	NA	KEGG	NA	NA
+MJ088502	Squamocin L; 24-Ac 	C39H68O7	648.496504	NA	MeJP	NA	NA
+MJ088503	7,13-Labdadien-15-ol, Malonoyl diester 	C43H68O4	648.51176	NA	MeJP	NA	NA
+MJ088504	Trixagol; Malonyl, trixagoyl ester 	C43H68O4	648.51176	NA	MeJP	NA	NA
+MJ088505	1,3,27,29-Triacontanetetrol, 1-O-?-D-Galactopyranoside 	C36H72O9	648.517633	NA	MeJP	NA	NA
+MJ088506	1,3,27,29-Triacontanetetrol, 1-O-?-D-Glucopyranoside 	C36H72O9	648.517633	NA	MeJP	NA	NA
+MJ088507	1-Heptacosene-4,6,8,10,12,14,16,18,24-nonol, Nona-Me ether 	C36H72O9	648.517633	NA	MeJP	NA	NA
+MJ088508	Cepaciamide B 	C39H72N2O5	648.544123	NA	MeJP	NA	NA
+HMDB05229	DG(18:1(9Z)/20:1(11Z)/0:0)[iso2]	C41H76O5	648.56927	http://www.hmdb.ca/metabolites/HMDB05229	HMDB	NA	NA
+HMDB05234	DG(18:2(9Z,12Z)/20:0/0:0)[iso2]	C41H76O5	648.56927	http://www.hmdb.ca/metabolites/HMDB05234	HMDB	NA	NA
+HMDB05229	DG(18:1(9Z)/20:1(11Z)/0:0)[iso2]	C41H76O5	648.56927	HMDB05229	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05234	DG(18:2(9Z,12Z)/20:0/0:0)[iso2]	C41H76O5	648.56927	HMDB05234	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07065	DG(14:1(9Z)/24:1(15Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07117	DG(16:0/22:2(13Z,16Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07145	DG(16:1(9Z)/22:1(13Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07167	DG(18:0/20:2(11Z,14Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07195	DG(18:1(11Z)/20:1(11Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07224	DG(18:1(9Z)/20:1(11Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07252	DG(18:2(9Z,12Z)/20:0/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07364	DG(20:0/18:2(9Z,12Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07391	DG(20:1(11Z)/18:1(11Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07392	DG(20:1(11Z)/18:1(9Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07419	DG(20:2(11Z,14Z)/18:0/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07621	DG(22:1(13Z)/16:1(9Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07649	DG(22:2(13Z,16Z)/16:0/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+HMDB07821	DG(24:1(15Z)/14:1(9Z)/0:0)	C41H76O5	648.569275	NA	HMDB2010	NA	NA
+MJ088509	1-O-(14,16-Dimethyloctadecanoyl)-3-O-(9,12-octadecadienoyl)glycerol 	C41H76O5	648.569275	NA	MeJP	NA	NA
+C15441	Cholesteryl linoleate	C45H76O2	648.5845	NA	KEGG	NA	NA
+HMDB00610	Cholesteryl linoleic acid	C45H76O2	648.58453	http://www.hmdb.ca/metabolites/HMDB00610	HMDB	NA	NA
+HMDB00610	Cholesteryl linoleic acid	C45H76O2	648.58453	HMDB00610	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00610	CE(18:2(9Z,12Z))	C45H76O2	648.584534	NA	HMDB2010	NA	NA
+MJ088510	1-Octacosanol; Hexadecanoyl 	C44H88O2	648.678432	NA	MeJP	NA	NA
+MJ088511	Docosanoic acid; Docosyl ester 	C44H88O2	648.678432	NA	MeJP	NA	NA
+MJ088512	Triacontanoic acid; Tetradecyl ester 	C44H88O2	648.678432	NA	MeJP	NA	NA
+MJ088513	19-Pentatetracontanol 	C45H92O	648.714817	NA	MeJP	NA	NA
+PJ012235	CCMMY 	C25H39N5O7S4	649.1732	NA	PeJP	NA	NA
+PJ012236	GCCCQH 	C22H35N9O8S3	649.1771	NA	PeJP	NA	NA
+PJ012237	GNDDDD 	C22H31N7O16	649.1828	NA	PeJP	NA	NA
+PJ012238	CCDFY 	C28H35N5O9S2	649.1876	NA	PeJP	NA	NA
+PJ012239	SSCCNH 	C22H35N9O10S2	649.1949	NA	PeJP	NA	NA
+PJ012240	SPCNDD 	C23H35N7O13S	649.2014	NA	PeJP	NA	NA
+PJ012241	CEMMH 	C24H39N7O8S3	649.2022	NA	PeJP	NA	NA
+PJ012242	PPCCCQ 	C24H39N7O8S3	649.2023	NA	PeJP	NA	NA
+PJ012243	SCDYY 	C28H35N5O11S	649.2054	NA	PeJP	NA	NA
+PJ012244	CCMFF 	C29H39N5O6S3	649.2063	NA	PeJP	NA	NA
+PJ012245	DEEEE 	C24H35N5O16	649.2079	NA	PeJP	NA	NA
+PJ012246	GCNNNE 	C22H35N9O12S	649.2126	NA	PeJP	NA	NA
+PJ012247	GCCCKH 	C23H39N9O7S3	649.2135	NA	PeJP	NA	NA
+PJ012248	CDEHF 	C27H35N7O10S	649.2166	NA	PeJP	NA	NA
+PJ012249	GSNDEE 	C23H35N7O15	649.2191	NA	PeJP	NA	NA
+PJ012250	GPCNEM 	C24H39N7O10S2	649.22	NA	PeJP	NA	NA
+PJ012251	ACMYY 	C29H39N5O8S2	649.224	NA	PeJP	NA	NA
+PJ012252	CNNNW 	C26H35N9O9S	649.2279	NA	PeJP	NA	NA
+PJ012253	SSNNND 	C22H35N9O14	649.2304	NA	PeJP	NA	NA
+PJ012254	GPCCDR 	C23H39N9O9S2	649.2313	NA	PeJP	NA	NA
+PJ012255	SNDEW 	C27H35N7O12	649.2344	NA	PeJP	NA	NA
+PJ012256	PCNMW 	C28H39N7O7S2	649.2353	NA	PeJP	NA	NA
+PJ012257	NQEEM 	C24H39N7O12S	649.2378	NA	PeJP	NA	NA
+PJ012258	TMMMH 	C25H43N7O7S3	649.2386	NA	PeJP	NA	NA
+PJ012259	SSMYY 	C29H39N5O10S	649.2418	NA	PeJP	NA	NA
+PJ012260	NDDMR 	C23H39N9O11S	649.249	NA	PeJP	NA	NA
+PJ012261	GSDWW 	C31H35N7O9	649.2497	NA	PeJP	NA	NA
+PJ012262	GQEMW 	C28H39N7O9S	649.253	NA	PeJP	NA	NA
+PJ012263	GSTQEE 	C24H39N7O14	649.2555	NA	PeJP	NA	NA
+PJ012264	GSPQMM 	C25H43N7O9S2	649.2564	NA	PeJP	NA	NA
+PJ012265	NNEHH 	C25H35N11O10	649.2569	NA	PeJP	NA	NA
+PJ012266	ACFFY 	C33H39N5O7S	649.257	NA	PeJP	NA	NA
+PJ012267	PEEEF 	C29H39N5O12	649.2596	NA	PeJP	NA	NA
+PJ012268	GSCNNR 	C22H39N11O10S	649.2602	NA	PeJP	NA	NA
+PJ012269	GGGGGSCR 	C22H39N11O10S	649.2603	NA	PeJP	NA	NA
+PJ012270	LEEEM 	C26H43N5O12S	649.2629	NA	PeJP	NA	NA
+PJ012271	GCERW 	C27H39N9O8S	649.2643	NA	PeJP	NA	NA
+PJ012272	SSSNQQ 	C23H39N9O13	649.2667	NA	PeJP	NA	NA
+PJ012273	GSSDER 	C23H39N9O13	649.2668	NA	PeJP	NA	NA
+PJ012274	GSPCMR 	C24H43N9O8S2	649.2676	NA	PeJP	NA	NA
+3117	adrenocorticotropin hormone fr,: 1-10	SYSMEHFRWG	649.2682	MH2+	Inhouse_peptide	NA	peptide
+PJ012275	QMWW 	C32H39N7O6S	649.2683	NA	PeJP	NA	NA
+PJ012276	STQEW 	C28H39N7O11	649.2708	NA	PeJP	NA	NA
+PJ012277	CLMHF 	C29H43N7O6S2	649.2716	NA	PeJP	NA	NA
+PJ012278	GNHHW 	C29H35N11O7	649.2721	NA	PeJP	NA	NA
+PJ012279	SSPTQM 	C25H43N7O11S	649.2741	NA	PeJP	NA	NA
+PJ012280	NKEEM 	C25H43N7O11S	649.2742	NA	PeJP	NA	NA
+PJ012281	AAYYY 	C33H39N5O9	649.2748	NA	PeJP	NA	NA
+PJ012282	CRWW 	C31H39N9O5S	649.2795	NA	PeJP	NA	NA
+PJ012283	SSDRW 	C27H39N9O10	649.282	NA	PeJP	NA	NA
+PJ012284	SQEMR 	C24H43N9O10S	649.2854	NA	PeJP	NA	NA
+PJ012285	GTTWW 	C32H39N7O8	649.286	NA	PeJP	NA	NA
+PJ012286	GKEMW 	C29H43N7O8S	649.2894	NA	PeJP	NA	NA
+PJ012287	GSTKEE 	C25H43N7O13	649.2919	NA	PeJP	NA	NA
+PJ012288	GSPKMM 	C26H47N7O8S2	649.2928	NA	PeJP	NA	NA
+PJ012289	NDKHH 	C26H39N11O9	649.2932	NA	PeJP	NA	NA
+PJ012290	GGDKHH 	C26H39N11O9	649.2933	NA	PeJP	NA	NA
+PJ012291	PLEEY 	C30H43N5O11	649.2959	NA	PeJP	NA	NA
+PJ012292	SCERR 	C23H43N11O9S	649.2966	NA	PeJP	NA	NA
+PJ012293	PPNHW 	C31H39N9O7	649.2973	NA	PeJP	NA	NA
+PJ012294	GTMRW 	C28H43N9O7S	649.3006	NA	PeJP	NA	NA
+PJ012295	GAPCFR 	C28H43N9O7S	649.3007	NA	PeJP	NA	NA
+PJ012296	GSTTER 	C24H43N9O12	649.3031	NA	PeJP	NA	NA
+PJ012297	GGGGSSTK 	C24H43N9O12	649.3032	NA	PeJP	NA	NA
+PJ012298	VNMMR 	C25H47N9O7S2	649.304	NA	PeJP	NA	NA
+PJ012299	SNHHR 	C25H39N13O8	649.3045	NA	PeJP	NA	NA
+PJ012300	KMWW 	C33H43N7O5S	649.3047	NA	PeJP	NA	NA
+PJ012301	STKEW 	C29H43N7O10	649.3072	NA	PeJP	NA	NA
+PJ012302	DKKEM 	C26H47N7O10S	649.3105	NA	PeJP	NA	NA
+PJ012303	CCLRR 	C24H47N11O6S2	649.3152	NA	PeJP	NA	NA
+PJ012304	GMMRR 	C24H47N11O6S2	649.3153	NA	PeJP	NA	NA
+PJ012305	STTRW 	C28H43N9O9	649.3184	NA	PeJP	NA	NA
+PJ012306	SKEMR 	C25H47N9O9S	649.3218	NA	PeJP	NA	NA
+PJ012307	GPKYW 	C33H43N7O7	649.3224	NA	PeJP	NA	NA
+PJ012308	SVKMW 	C30H47N7O7S	649.3258	NA	PeJP	NA	NA
+PJ012309	SSSLKE 	C26H47N7O12	649.3283	NA	PeJP	NA	NA
+PJ012310	LQKMM 	C27H51N7O7S2	649.3292	NA	PeJP	NA	NA
+PJ012311	GDFRR 	C27H43N11O8	649.3296	NA	PeJP	NA	NA
+PJ012312	LLEEF 	C31H47N5O10	649.3323	NA	PeJP	NA	NA
+PJ012313	STMRR 	C24H47N11O8S	649.333	NA	PeJP	NA	NA
+PJ012314	AAFRW 	C32H43N9O6	649.3337	NA	PeJP	NA	NA
+PJ012315	PCKFR 	C29H47N9O6S	649.337	NA	PeJP	NA	NA
+PJ012316	SSSTLR 	C25H47N9O11	649.3395	NA	PeJP	NA	NA
+PJ012317	CLKMR 	C26H51N9O6S2	649.3404	NA	PeJP	NA	NA
+PJ012318	PDKKY 	C30H47N7O9	649.3435	NA	PeJP	NA	NA
+PJ012319	GGLLQY 	C30H47N7O9	649.3436	NA	PeJP	NA	NA
+PJ012320	GTTLKM 	C27H51N7O9S	649.3469	NA	PeJP	NA	NA
+PJ012321	SPKRY 	C29H47N9O8	649.3548	NA	PeJP	NA	NA
+PJ012322	GSCKKK 	C26H51N9O8S	649.3582	NA	PeJP	NA	NA
+PJ012323	GLKFW 	C34H47N7O6	649.3588	NA	PeJP	NA	NA
+PJ012324	PKKMF 	C31H51N7O6S	649.3622	NA	PeJP	NA	NA
+PJ012325	STTTLK 	C27H51N7O11	649.3647	NA	PeJP	NA	NA
+PJ012326	LKKMM 	C28H55N7O6S2	649.3655	NA	PeJP	NA	NA
+PJ012327	GVRRY 	C28H47N11O7	649.366	NA	PeJP	NA	NA
+2662	synthetic fr, of human beta-CN (138-143) ACE inhibitor	VPQPIP	649.366	NA	Inhouse_peptide	NA	peptide
+2817	PEP inhibitor	HLPPPVHLPPPV	649.36605	MH2+	Inhouse_peptide	NA	peptide
+PJ012328	LLLEY 	C32H51N5O9	649.3687	NA	PeJP	NA	NA
+PJ012329	RRRY 	C27H47N13O6	649.3773	NA	PeJP	NA	NA
+PJ012330	VLQKY 	C31H51N7O8	649.3799	NA	PeJP	NA	NA
+PJ012331	GGPPPLL 	C31H51N7O8	649.38	NA	PeJP	NA	NA
+PJ012332	ALKRY 	C30H51N9O7	649.3912	NA	PeJP	NA	NA
+C13901	1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenoyl)-sn-glycero-3-	C32H60NO10P	649.3955	NA	KEGG	NA	NA
+PJ012333	PLKHR 	C29H51N11O6	649.4024	NA	PeJP	NA	NA
+PJ012334	VLKKY 	C32H55N7O7	649.4163	NA	PeJP	NA	NA
+MetaCyc04007	dimyristoylphosphatidylcholine []	C34H68N1O8P1	649.468255	13699-48-4	metacyc	NA	NA
+HMDB08823	PE(14:0/15:0)	C34H68NO8P	649.468262	NA	HMDB2010	NA	NA
+HMDB08887	PE(15:0/14:0)	C34H68NO8P	649.468262	NA	HMDB2010	NA	NA
+MJ088514	Pamamycin; Pamamycin 649A 	C38H67NO7	649.491753	NA	MeJP	NA	NA
+MJ088515	Pamamycin; Pamamycin 649B 	C38H67NO7	649.491753	NA	MeJP	NA	NA
+HMDB00831	N-Lignoceroylsphingosine	C42H83NO3	649.637268	NA	HMDB2010	NA	NA
+HMDB04956	Ceramide (d18:1/24:0)	C42H83NO3	649.637268	NA	HMDB2010	NA	NA
+HMDB11769	Cer(d18:0/24:1(15Z))	C42H83NO3	649.637268	NA	HMDB2010	NA	NA
+MJ088516	2-Amino-16-methyl-4-octadecene-1,3-diol, N-(21-Methyldocosanoyl) 	C42H83NO3	649.637295	NA	MeJP	NA	NA
+MJ088517	2-Amino-4-heneicosene-1,3-diol, N-Heneicosanoyl 	C42H83NO3	649.637295	NA	MeJP	NA	NA
+MJ088518	2-Amino-4-octadecene-1,3-diol, N-Tetracosanoyl 	C42H83NO3	649.637295	NA	MeJP	NA	NA
+HMDB00831	N-Lignoceroylsphingosine	C42H83NO3	649.63733	http://www.hmdb.ca/metabolites/HMDB00831	HMDB	NA	NA
+HMDB04956	Ceramide (d18:1/24:0)	C42H83NO3	649.63733	http://www.hmdb.ca/metabolites/HMDB04956	HMDB	NA	NA
+HMDB00831	N-Lignoceroylsphingosine	C42H83NO3	649.63733	HMDB00831	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04956	Ceramide (d18:1/24:0)	C42H83NO3	649.63733	HMDB04956	PFEM_hmdb_metabocards_official	NA	NA
+MJ088519	Caulerpicin 	C43H87NO2	649.673681	NA	MeJP	NA	NA
+C03832	3,5,3'-Triiodothyropyruvate	C15H9I3O5	649.7584	NA	KEGG	NA	NA
+C03834	3-Hydroxymonocarboxylic acid	C3H5O3R	649.7584	NA	KEGG	NA	NA
+MetaCyc04008	3,5,3'-triiodothyropyruvate [3,5,3'-triiodothyropyruvate;3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate;]	C15H9O5I3	649.758402	NA	metacyc	NA	NA
+MJ088520	Acetiromate 	C15H9I3O5	649.758403	NA	MeJP	NA	NA
+3049	kinases inhibitor	LREIQILLRF	649.895	MH2+	Inhouse_peptide	NA	peptide
+MJ088521	Bisnorbadioquinone A 	C34H18O14	650.069655	NA	MeJP	NA	NA
+MJ088522	Lagerstannin C 	C27H22O19	650.075528	NA	MeJP	NA	NA
+MJ088523	Rugosin A; 1,2,3-Tris-O-degalloyl 	C27H22O19	650.075528	NA	MeJP	NA	NA
+MJ088524	Terchebin; 3,6-Di-O-degalloyl 	C27H22O19	650.075528	NA	MeJP	NA	NA
+MJ088525	2,3,6-Trigalloylglucose; ?-D-Pyranose-form, Me glycoside 	C28H26O18	650.111914	NA	MeJP	NA	NA
+MJ088526	3,4,6-Trigalloylglucose; ?-D-Pyranose-form, Me glycoside 	C28H26O18	650.111914	NA	MeJP	NA	NA
+PJ012335	GCCCCY 	C23H34N6O8S4	650.1321	NA	PeJP	NA	NA
+FL3FAACS0090	Vitexin 6''-O-malonyl 2''-O-xyloside	C29H30O17	650.14829	205584-37-8	knapsack	NA	NA
+MJ088527	Malonylapiin 	C29H30O17	650.148299	NA	MeJP	NA	NA
+MJ088528	1,2,3,5-Benzenetetrol; 1,2,3-Tri-Me ether, 5-O-[2,6-bis(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C29H30O17	650.148299	NA	MeJP	NA	NA
+MJ088529	Cosmosiin; 2''-?-D-Apiofuranosyl, 6''-O-malonyl 	C29H30O17	650.148299	NA	MeJP	NA	NA
+C05622	Malonylapiin	C29H30O17	650.1483	NA	KEGG	NA	NA
+PJ012336	GCCCEH 	C22H34N8O9S3	650.1611	NA	PeJP	NA	NA
+PJ012337	GDDDDD 	C22H30N6O17	650.1668	NA	PeJP	NA	NA
+PJ012338	CCCHW 	C26H34N8O6S3	650.1764	NA	PeJP	NA	NA
+PJ012339	SSCCDH 	C22H34N8O11S2	650.1789	NA	PeJP	NA	NA
+MetaCyc04009	heme d []	C34H34N4O6FE1	650.182777	NA	metacyc	NA	NA
+FL5FEAGS0018	6-Methoxykaempferol 3-rhamnoside-7-(4'''-acetylrhamnoside)	C30H34O16	650.18468	125003-01-2	knapsack	NA	NA
+MJ088530	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(4-O-acetyl-?-L-rhamnopyranoside) 	C30H34O16	650.184685	NA	MeJP	NA	NA
+MJ088531	Vitexin; 4'-Me ether, O''-Ac, 7-O-?-D-glucopyranoside 	C30H34O16	650.184685	NA	MeJP	NA	NA
+PJ012340	SPCDDD 	C23H34N6O14S	650.1854	NA	PeJP	NA	NA
+PJ012341	PPCCCE 	C24H38N6O9S3	650.1863	NA	PeJP	NA	NA
+PJ012342	GCNNDE 	C22H34N8O13S	650.1966	NA	PeJP	NA	NA
+PJ012343	GGGGGCDE 	C22H34N8O13S	650.1967	NA	PeJP	NA	NA
+PJ012344	GTCCMH 	C23H38N8O8S3	650.1975	NA	PeJP	NA	NA
+PJ012345	GSDDEE 	C23H34N6O16	650.2032	NA	PeJP	NA	NA
+PJ012346	GPCDEM 	C24H38N6O11S2	650.204	NA	PeJP	NA	NA
+MJ088532	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, [?-L-Arabinofuranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C27H38O18	650.205814	NA	MeJP	NA	NA
+MJ088533	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Hexa-Ac, 1,2-methylorthoacetate 	C27H38O18	650.205814	NA	MeJP	NA	NA
+MJ088534	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, hepta-Ac 	C27H38O18	650.205814	NA	MeJP	NA	NA
+PJ012347	CNNDW 	C26H34N8O10S	650.2119	NA	PeJP	NA	NA
+PJ012348	SSNNDD 	C22H34N8O15	650.2144	NA	PeJP	NA	NA
+PJ012349	SSSCMH 	C23H38N8O10S2	650.2153	NA	PeJP	NA	NA
+PJ012350	SDDEW 	C27H34N6O13	650.2184	NA	PeJP	NA	NA
+PJ012351	PCDMW 	C28H38N6O8S2	650.2193	NA	PeJP	NA	NA
+MJ088535	3',4',5,7-Tetrahydroxy-8-methylisoflavone; 3',4',7-Tri-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C31H38O15	650.22107	NA	MeJP	NA	NA
+MJ088536	Campneoside I; Demethoxy, 3'''-deoxy, 2-Ac 	C31H38O15	650.22107	NA	MeJP	NA	NA
+MJ088537	Egonol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H38O15	650.22107	NA	MeJP	NA	NA
+MJ088538	Unedoside; 6-O-[2-O-Acetyl-3-O-cinnamoyl-?-L-rhamnopyranoside] 	C31H38O15	650.22107	NA	MeJP	NA	NA
+FLIACFGM0001	5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside	C31H38O15	650.22107	87611-94-7	knapsack	NA	NA
+PJ012352	NEEEM 	C24H38N6O13S	650.2218	NA	PeJP	NA	NA
+MJ088539	Celenamide D 	C32H34N4O11	650.222407	NA	MeJP	NA	NA
+PJ012353	PPTCCM 	C25H42N6O8S3	650.2227	NA	PeJP	NA	NA
+PJ012354	CNMHF 	C27H38N8O7S2	650.2305	NA	PeJP	NA	NA
+PJ012355	DDDMR 	C23H38N8O12S	650.233	NA	PeJP	NA	NA
+PJ012356	GEEMW 	C28H38N6O10S	650.237	NA	PeJP	NA	NA
+MJ088540	Phthalascidin 	C36H34N4O8	650.237664	NA	MeJP	NA	NA
+PJ012357	GSTEEE 	C24H38N6O15	650.2395	NA	PeJP	NA	NA
+PJ012358	GSPEMM 	C25H42N6O10S2	650.2404	NA	PeJP	NA	NA
+PJ012359	NDEHH 	C25H34N10O11	650.2409	NA	PeJP	NA	NA
+PJ012360	GSCNDR 	C22H38N10O11S	650.2443	NA	PeJP	NA	NA
+PJ012361	SNNMW 	C27H38N8O9S	650.2483	NA	PeJP	NA	NA
+PJ012362	SSSNQE 	C23H38N8O14	650.2508	NA	PeJP	NA	NA
+MJ088541	Alopecurone A 	C39H38O9	650.251582	NA	MeJP	NA	NA
+MJ088542	Kuwanol E 	C39H38O9	650.251582	NA	MeJP	NA	NA
+MJ088543	Leachianone C 	C39H38O9	650.251582	NA	MeJP	NA	NA
+MJ088544	Sophoraflavanone I 	C39H38O9	650.251582	NA	MeJP	NA	NA
+MJ088545	Sophoraflavanone J 	C39H38O9	650.251582	NA	MeJP	NA	NA
+PJ012363	NQQMM 	C24H42N8O9S2	650.2516	NA	PeJP	NA	NA
+PJ012364	GGGGAAMM 	C24H42N8O9S2	650.2517	NA	PeJP	NA	NA
+C11589	BQ 518	C32H38N6O7S	650.2523	NA	KEGG	NA	NA
+PJ012365	EMWW 	C32H38N6O7S	650.2523	NA	PeJP	NA	NA
+PJ012366	STEEW 	C28H38N6O12	650.2548	NA	PeJP	NA	NA
+PJ012367	SPMMW 	C29H42N6O7S2	650.2557	NA	PeJP	NA	NA
+PJ012368	GDHHW 	C29H34N10O8	650.2561	NA	PeJP	NA	NA
+MJ088546	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, Hexa-Ac 	C32H42O14	650.257456	NA	MeJP	NA	NA
+MJ088547	8,17-Epoxy-2,4,9,14-tetrahydroxy-5,11-briaradien-18,7-olide; 11?,12?-Epoxide, 16-acetoxy, 2-butanoyl, 4,9,14-tri-Ac 	C32H42O14	650.257456	NA	MeJP	NA	NA
+MJ088548	Furcatoside A 	C32H42O14	650.257456	NA	MeJP	NA	NA
+MJ088549	Ichangin; 4-O-?-D-Glucopyranoside 	C32H42O14	650.257456	NA	MeJP	NA	NA
+C06740	Glucosyl-limonin	C32H42O14	650.2575	NA	KEGG	NA	NA
+C06741	Feruloyl-polysaccharide	C32H42O14	650.2575	NA	KEGG	NA	NA
+PJ012369	DKEEM 	C25H42N6O12S	650.2582	NA	PeJP	NA	NA
+PJ012370	AAPMMM 	C26H46N6O7S3	650.259	NA	PeJP	NA	NA
+PJ012371	GPTCHH 	C26H38N10O8S	650.2595	NA	PeJP	NA	NA
+MJ088550	Maytansinol; 15R-Hydroxy, 3-O-(2-methylpropanoyl) 	C32H43ClN2O10	650.260623	NA	MeJP	NA	NA
+MJ088551	Maytansinol; 15S-Hydroxy, 3-O-(2-methylpropanoyl) 	C32H43ClN2O10	650.260623	NA	MeJP	NA	NA
+MJ088552	Maytansinol; 3-O-(3-Hydroxy-3-methylbutanoyl), N-de-Me 	C32H43ClN2O10	650.260623	NA	MeJP	NA	NA
+MJ088553	Maytansinol; 30-Hydroxy, 3-O-(2-methylpropanoyl) 	C32H43ClN2O10	650.260623	NA	MeJP	NA	NA
+PJ012372	CNQMR 	C23H42N10O8S2	650.2629	NA	PeJP	NA	NA
+PJ012373	GSSSQW 	C27H38N8O11	650.266	NA	PeJP	NA	NA
+PJ012374	GGGGGAEF 	C27H38N8O11	650.2661	NA	PeJP	NA	NA
+PJ012375	SEEMR 	C24H42N8O11S	650.2694	NA	PeJP	NA	NA
+PJ012376	APDYW 	C32H38N6O9	650.27	NA	PeJP	NA	NA
+PJ012377	GPEYW 	C32H38N6O9	650.2701	NA	PeJP	NA	NA
+MJ088554	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7-Dibenzoyl, 4-Ac 	C36H42O11	650.272712	NA	MeJP	NA	NA
+MJ088555	Shizukaol B; 13,15-Dideacyl, 15-(4-hydroxy-3-methyl-2E-butenoyl) 	C36H42O11	650.272712	NA	MeJP	NA	NA
+MJ088556	Altemicidin; 5'-N-(2S-Amino-3S-methylpentanoyl), 6-O-(2S-amino-3S-phenylbutanoyl) 	C29H42N6O9S	650.273397	NA	MeJP	NA	NA
+PJ012378	SVEMW 	C29H42N6O9S	650.2734	NA	PeJP	NA	NA
+PJ012379	CCNRR 	C22H42N12O7S2	650.2741	NA	PeJP	NA	NA
+PJ012380	SSSLEE 	C25H42N6O14	650.2759	NA	PeJP	NA	NA
+PJ012381	LQEMM 	C26H46N6O9S2	650.2768	NA	PeJP	NA	NA
+PJ012382	TQEHH 	C26H38N10O10	650.2773	NA	PeJP	NA	NA
+PJ012383	GSSNMR 	C23H42N10O10S	650.2806	NA	PeJP	NA	NA
+PJ012384	GNQFW 	C31H38N8O8	650.2813	NA	PeJP	NA	NA
+MJ088557	Grandifloritine 	C35H42N2O10	650.283945	NA	MeJP	NA	NA
+PJ012385	SCQKW 	C28H42N8O8S	650.2846	NA	PeJP	NA	NA
+PJ012386	GGTCKW 	C28H42N8O8S	650.2847	NA	PeJP	NA	NA
+PJ012387	PYWW 	C36H38N6O6	650.2853	NA	PeJP	NA	NA
+PJ012388	SSTTQQ 	C24H42N8O13	650.2871	NA	PeJP	NA	NA
+MJ088558	Chondramide A; 2'-Chloro, demethoxy 	C35H43ClN4O6	650.287112	NA	MeJP	NA	NA
+PJ012389	SSSNKE 	C24H42N8O13	650.2872	NA	PeJP	NA	NA
+MJ088559	Excelsaoctaphenol 	C40H42O8	650.287968	NA	MeJP	NA	NA
+PJ012390	VDMMR 	C25H46N8O8S2	650.288	NA	PeJP	NA	NA
+PJ012391	SDHHR 	C25H38N12O9	650.2885	NA	PeJP	NA	NA
+PJ012392	APMFW 	C33H42N6O6S	650.2887	NA	PeJP	NA	NA
+PJ012393	PDKEY 	C29H42N6O11	650.2912	NA	PeJP	NA	NA
+PJ012394	ALMMW 	C30H46N6O6S2	650.292	NA	PeJP	NA	NA
+PJ012395	VCLMW 	C30H46N6O6S2	650.2921	NA	PeJP	NA	NA
+PJ012396	ATHHW 	C30H38N10O7	650.2925	NA	PeJP	NA	NA
+MJ088560	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Tigloyl, 2,4,7,9-tetra-Ac 	C33H46O13	650.293841	NA	MeJP	NA	NA
+MJ088561	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3-Butanoyl, 12-propanoyl, 2,9,14-tri-Ac 	C33H46O13	650.293841	NA	MeJP	NA	NA
+PJ012397	PTTTTM 	C26H46N6O11S	650.2945	NA	PeJP	NA	NA
+PJ012398	GTTLEM 	C26H46N6O11S	650.2946	NA	PeJP	NA	NA
+PJ012399	VQMHH 	C27H42N10O7S	650.2959	NA	PeJP	NA	NA
+8201	ACE inhibitor	MYPGIA	650.2974	NA  ;SYN:()-Piperidine-2-carboxylic acid; (+/-)-2-Piperidinecarboxylate; (+/-)-2-Piperidinecarboxylic acid; (+/-)-Pipecolate; (+/-)-Pipecolic acid; (+/-)-Pipecolinate; (+/-)-Pipecolinic acid; (,+/-,)-2-Piperidinecarboxylic acid; (RS)-2-Piperidinecarboxylate; (RS)-2-Piperidinecarboxylic acid; ,alpha,-Pipecolinic acid; 2-Carboxypiperidine; 2-Pipecolinic acid; 2-Piperidinecarboxylate; 2-Piperidinecarboxylic acid; 2-Piperidinylcarboxylic acid; a-Pipecolinate; a-Pipecolinic acid; acide pipecolique; acide piperidine-carboxylique-2; alpha-Pipecolinate; alpha-Pipecolinic acid; Dihydrobaikiane; DL-2-Piperidinecarboxylate; DL-2-Piperidinecarboxylic acid; DL-Homoproline; DL-Pipecolate; DL-Pipecolic acid; DL-Pipecolinate; DL-Pipecolinic acid; Hexahydro-2-picolinate; Hexahydro-2-picolinic acid; Hexahydropicolinate; Hexahydropicolinic acid; Homoproline; pipecolate; pipecolic acid; Pipecolic acid free base; Pipecolinate; Pipecolinic acid; piperidine-2-carboxylic acid; Piperolinate; Piperolinic acidH2Amniotic Fluid; Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ012400	SSSSQR 	C23H42N10O12	650.2984	NA	PeJP	NA	NA
+MJ088562	Longiberine; Me ether 	C39H42N2O7	650.299201	NA	MeJP	NA	NA
+PJ012401	CNKMR 	C24H46N10O7S2	650.2993	NA	PeJP	NA	NA
+PJ012402	GSSSKW 	C28H42N8O10	650.3024	NA	PeJP	NA	NA
+PJ012403	GSTQKM 	C25H46N8O10S	650.3058	NA	PeJP	NA	NA
+PJ012404	SPVYW 	C33H42N6O8	650.3064	NA	PeJP	NA	NA
+PJ012405	AMHHR 	C26H42N12O6S	650.3071	NA	PeJP	NA	NA
+MJ088563	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-Cinnamoyl, 2,9,10,13-tetra-Ac 	C37H46O10	650.309097	NA	MeJP	NA	NA
+MJ088564	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-Cinnamoyl, 7,9,10,13-tetra-Ac 	C37H46O10	650.309097	NA	MeJP	NA	NA
+MJ088565	4,11-Taxadiene-2,9,10,13,20-pentol, 20-Cinnamoyl, 2,9,10,13-tetra-Ac 	C37H46O10	650.309097	NA	MeJP	NA	NA
+PJ012406	TTLMW 	C30H46N6O8S	650.3098	NA	PeJP	NA	NA
+MJ088566	Naloxonazine 	C38H42N4O6	650.310435	NA	MeJP	NA	NA
+PJ012407	STTTLE 	C26H46N6O13	650.3123	NA	PeJP	NA	NA
+2717	erythromycin inhibitor	MRMLT	650.3128	NA	Inhouse_peptide	NA	peptide
+PJ012408	LKEMM 	C27H50N6O8S2	650.3132	NA	PeJP	NA	NA
+PJ012409	GQQRY 	C27H42N10O9	650.3136	NA	PeJP	NA	NA
+PJ012410	GGAQRY 	C27H42N10O9	650.3137	NA	PeJP	NA	NA
+PJ012411	GSTCKR 	C24H46N10O9S	650.317	NA	PeJP	NA	NA
+PJ012412	GNKFW 	C32H42N8O7	650.3177	NA	PeJP	NA	NA
+PJ012413	SCKKW 	C29H46N8O7S	650.321	NA	PeJP	NA	NA
+PJ012414	GPPLMH 	C29H46N8O7S	650.3211	NA	PeJP	NA	NA
+PJ012415	LFWW 	C37H42N6O5	650.3217	NA	PeJP	NA	NA
+PJ012416	SSSDKK 	C25H46N8O12	650.3235	NA	PeJP	NA	NA
+MJ088567	Antibiotic B 3454 	C25H46N8O12	650.323518	NA	MeJP	NA	NA
+PJ012417	TLMMR 	C26H50N8O7S2	650.3244	NA	PeJP	NA	NA
+PJ012418	TTHHR 	C26H42N12O8	650.3249	NA	PeJP	NA	NA
+MJ088568	Strychnogucine A 	C42H42N4O3	650.325691	NA	MeJP	NA	NA
+MJ088569	Sungucine; 18-Hydroxy 	C42H42N4O3	650.325691	NA	MeJP	NA	NA
+PJ012419	VLQEY 	C30H46N6O10	650.3276	NA	PeJP	NA	NA
+C09561	Thapsigargin	C34H50O12	650.3302	NA	KEGG	NA	NA
+MJ088570	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-Octanoyl, 3-angeloyl, 8-butanoyl, 10-Ac 	C34H50O12	650.330227	NA	MeJP	NA	NA
+MJ088571	3,14,17,20-Tetrahydroxy-1-oxo-5,24-withadienolide, 3-O-?-D-Glucopyranoside 	C34H50O12	650.330227	NA	MeJP	NA	NA
+MJ088572	3,14,20,27-Tetrahydroxy-1-oxo-5,24-withadienolide, 3-O-?-D-Glucopyranoside 	C34H50O12	650.330227	NA	MeJP	NA	NA
+MJ088573	Premyrsinol; 5-(2-Methylpropanoyl), 3,17-dipropanoyl, 7,13-di-Ac 	C34H50O12	650.330227	NA	MeJP	NA	NA
+PJ012420	SSTLLM 	C27H50N6O10S	650.3309	NA	PeJP	NA	NA
+PJ012421	VKMHH 	C28H46N10O6S	650.3323	NA	PeJP	NA	NA
+2810	PEP inhibitor	MPPPLP	650.3324	NA	Inhouse_peptide	NA	peptide
+PJ012422	SSSSKR 	C24H46N10O11	650.3348	NA	PeJP	NA	NA
+PJ012423	ALERY 	C29H46N8O9	650.3388	NA	PeJP	NA	NA
+PJ012424	GSTKKM 	C26H50N8O9S	650.3422	NA	PeJP	NA	NA
+PJ012425	GLLYW 	C34H46N6O7	650.3428	NA	PeJP	NA	NA
+PJ012426	PLKMY 	C31H50N6O7S	650.3462	NA	PeJP	NA	NA
+PJ012427	GQKRY 	C28H46N10O8	650.35	NA	PeJP	NA	NA
+PJ012428	PVLHW 	C33H46N8O6	650.3541	NA	PeJP	NA	NA
+MJ088574	Cytotrienin A; 1'',2''-Dihydro 	C37H50N2O8	650.356716	NA	MeJP	NA	NA
+PJ012429	VVMFR 	C30H50N8O6S	650.3574	NA	PeJP	NA	NA
+PJ012430	SSTTKK 	C26H50N8O11	650.3599	NA	PeJP	NA	NA
+MJ088575	Dipuupehedione 	C42H50O6	650.360739	NA	MeJP	NA	NA
+PJ012431	PNKHR 	C27H46N12O7	650.3613	NA	PeJP	NA	NA
+2905	neuropeptide from eyestalk of Macrobrachium rosenb	DRTPALRLRFG	650.36145	MH2+	Inhouse_peptide	NA	peptide
+PJ012432	VLKEY 	C31H50N6O9	650.3639	NA	PeJP	NA	NA
+PJ012433	GSVLLY 	C31H50N6O9	650.364	NA	PeJP	NA	NA
+MJ088576	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside 	C35H54O11	650.366612	NA	MeJP	NA	NA
+MJ088577	3,12,14-Trihydroxycard-20(22)-enolide, 3-O-[Digitoxopyranosyl-(1?4)-digitoxopyranoside] 	C35H54O11	650.366612	NA	MeJP	NA	NA
+MJ088578	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] 	C35H54O11	650.366612	NA	MeJP	NA	NA
+PJ012434	SLLRY 	C30H50N8O8	650.3752	NA	PeJP	NA	NA
+PJ012435	PLKFF 	C35H50N6O6	650.3792	NA	PeJP	NA	NA
+MJ088579	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-(4-Hydroxy-E-cinnamoyl) 	C39H54O8	650.381868	NA	MeJP	NA	NA
+MJ088580	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 23-(4-Hydroxy-Z-cinnamoyl) 	C39H54O8	650.381868	NA	MeJP	NA	NA
+MJ088581	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) 	C39H54O8	650.381868	NA	MeJP	NA	NA
+MJ088582	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl)(E-) 	C39H54O8	650.381868	NA	MeJP	NA	NA
+MJ088583	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(3,4-Dihydroxycinnamoyl)(Z-) 	C39H54O8	650.381868	NA	MeJP	NA	NA
+MJ088584	3,20,21,24,30-Pentahydroxy-14-serraten-16-one, 30-(4-Hydroxycinnamoyl) 	C39H54O8	650.381868	NA	MeJP	NA	NA
+PJ012436	LLKMF 	C32H54N6O6S	650.3826	NA	PeJP	NA	NA
+PJ012437	GKKRY 	C29H50N10O7	650.3864	NA	PeJP	NA	NA
+MJ088585	Glycolipid B 	C32H58O13	650.387741	NA	MeJP	NA	NA
+MJ088586	2,3,16,20-Tetrahydroxy-5,24-cucurbitadien-22-one, 2-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088587	2,3,16,23-Tetrahydroxy-12-oleanen-28-al, 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088588	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Galactopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088589	2,3,19-Trihydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088590	2,3,19-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Galactopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088591	2,3,19-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088592	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088593	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088594	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088595	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088596	2,3,23-Trihydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088597	2,3,23-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088598	2,3,23-Trihydroxy-13(18)-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088599	2,3,24-Trihydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088600	2,3,6-Trihydroxy-20(29)-lupen-28-oic acid, 28-O-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088601	20,24-Epoxy-3,16,25-trihydroxycycloartan-6-one, 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088602	3,19,23-Trihydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088603	3,19,24-Trihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088604	3,21,23-Trihydroxy-12-oleanen-28-oic acid, 21-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088605	3,21,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088606	Cimigenol; 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088607	Flavofungin; Flavofungin I 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088608	Hovenolactone; 3-O-?-D-Glucopyranoside 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088609	Longisporin 	C36H58O10	650.402998	NA	MeJP	NA	NA
+MJ088610	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Digitoxopyranosyl-(1?4)-O-?-D-oleandropyranoside], 20-Ac 	C36H58O10	650.402998	NA	MeJP	NA	NA
+PJ012438	TKKKF 	C31H54N8O7	650.4116	NA	PeJP	NA	NA
+MJ088611	Aplydilactone 	C40H58O7	650.418254	NA	MeJP	NA	NA
+PJ012439	LLLHR 	C30H54N10O6	650.4228	NA	PeJP	NA	NA
+PJ012440	PPVLLL 	C33H58N6O7	650.4367	NA	PeJP	NA	NA
+MJ088612	Staphisine; 19-Oxo 	C43H58N2O3	650.444743	NA	MeJP	NA	NA
+MJ088613	Fritillebin B; 3'-Deacetoxy 	C42H66O5	650.491025	NA	MeJP	NA	NA
+MJ088614	Variabilin, 18-(10-Methylhexadecanoyl) 	C42H66O5	650.491025	NA	MeJP	NA	NA
+MJ088615	Variabilin, 18-(14-Methylhexadecanoyl) 	C42H66O5	650.491025	NA	MeJP	NA	NA
+MJ088616	Variabilin, 18-(15-Methylhexadecanoyl) 	C42H66O5	650.491025	NA	MeJP	NA	NA
+MJ088617	2-(3,7,11,15,19,23,27-Heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl)-1,4-naphthalenediol; 4-Me ether 	C46H66O2	650.506281	NA	MeJP	NA	NA
+MJ088618	20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one 	C46H66O2	650.506281	NA	MeJP	NA	NA
+MJ088619	Petroformyne 1; 44-Deoxy, ?43-isomer, 23Z-isomer, 20-ketone 	C46H66O2	650.506281	NA	MeJP	NA	NA
+MJ088620	Calamistrin A; 15-Epimer, 17-Ac 	C39H70O7	650.512154	NA	MeJP	NA	NA
+MJ088621	Calamistrin A; 22-Epimer, 17-Ac 	C39H70O7	650.512154	NA	MeJP	NA	NA
+HMDB12084	SM(d18:0/12:0)	C35H75N2O6P	650.536255	NA	HMDB2010	NA	NA
+HMDB05213	DG(18:0/20:1(11Z)/0:0)[iso2]	C41H78O5	650.5849	http://www.hmdb.ca/metabolites/HMDB05213	HMDB	NA	NA
+HMDB05227	DG(18:1(9Z)/20:0/0:0)[iso2]	C41H78O5	650.5849	http://www.hmdb.ca/metabolites/HMDB05227	HMDB	NA	NA
+HMDB05213	DG(18:0/20:1(11Z)/0:0)[iso2]	C41H78O5	650.5849	HMDB05213	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05227	DG(18:1(9Z)/20:0/0:0)[iso2]	C41H78O5	650.5849	HMDB05227	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07036	DG(14:0/24:1(15Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07064	DG(14:1(9Z)/24:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07116	DG(16:0/22:1(13Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07144	DG(16:1(9Z)/22:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07166	DG(18:0/20:1(11Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07194	DG(18:1(11Z)/20:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07223	DG(18:1(9Z)/20:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07362	DG(20:0/18:1(11Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07363	DG(20:0/18:1(9Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07390	DG(20:1(11Z)/18:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07592	DG(22:0/16:1(9Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07620	DG(22:1(13Z)/16:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07792	DG(24:0/14:1(9Z)/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB07820	DG(24:1(15Z)/14:0/0:0)	C41H78O5	650.5849	NA	HMDB2010	NA	NA
+HMDB00918	CE(18:1(9Z))	C45H78O2	650.600159	NA	HMDB2010	NA	NA
+HMDB05189	CE(18:1(11Z))	C45H78O2	650.600159	NA	HMDB2010	NA	NA
+HMDB00918	Cholesteryl oleate	C45H78O2	650.60016	http://www.hmdb.ca/metabolites/HMDB00918	HMDB	NA	NA
+HMDB00918	Cholesteryl oleate	C45H78O2	650.60016	HMDB00918	PFEM_hmdb_metabocards_official	NA	NA
+MJ088622	20(29)-Lupen-3-ol, Pentadecanoyl 	C45H78O2	650.600181	NA	MeJP	NA	NA
+MJ088623	Cholest-5-en-3-ol, 9Z-Octadecenoyl 	C45H78O2	650.600181	NA	MeJP	NA	NA
+MJ088624	Stigmasta-5,22-dien-3-ol, Hexadecanoyl 	C45H78O2	650.600181	NA	MeJP	NA	NA
+C14641	Cholesteryl oleate	C45H78O2	650.6002	NA	KEGG	NA	NA
+C13822	2S,3R-Didecanoyl-docosane-2,3-diol	C42H82O4	650.6213	NA	KEGG	NA	NA
+MJ088625	1,3-Octatriacontanediol; Di-Ac 	C42H82O4	650.621311	NA	MeJP	NA	NA
+MJ088626	7,11,15,19,22,26,30,34-Octamethyl-1,4-dioxacyclohexatriacontane-2-methanol 	C43H86O3	650.657696	NA	MeJP	NA	NA
+C02465	Triiodothyronine	C15H12I3NO4	650.79	NA	KEGG	NA	NA
+C07639	3,3',5'-Triiodo-L-thyronine	C15H12I3NO4	650.79	NA	KEGG	NA	NA
+MetaCyc04010	L-triiodothyronine [3,5,3'-triiodothyronine;triiodothyronine;triothyrone;4-(3-iodo-4-hydroxy-phenoxy)-3,5-diiodophenylalanine;3,3',5-triiodo-L-thyronine;L-3,5,3'-triiodothyronine;3,5,3'-triiodo-L-thyronine;liothyronine;3,3',5'-triiodo-L-thyronine;]	C15H12N1O4I3	650.790037	02/03/6893	metacyc	NA	NA
+MJ088627	Triiodothyronine 	C15H12I3NO4	650.790038	NA	MeJP	NA	NA
+MJ088628	3,3',5-Triiodothyronine 	C15H12I3NO4	650.790038	NA	MeJP	NA	NA
+HMDB00265	Liothyronine	C15H12I3NO4	650.790039	NA	HMDB2010	NA	NA
+HMDB00265	Liothyronine	C15H12I3NO4	650.79004	http://www.hmdb.ca/metabolites/HMDB00265	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00265	Liothyronine	C15H12I3NO4	650.79004	http://www.hmdb.ca/metabolites/HMDB00265	HMDB	NA	NA
+HMDB06780	Triiodo thyronine	C15H12I3NO4	650.79004	http://www.hmdb.ca/metabolites/HMDB06780	HMDB	NA	NA
+HMDB00265	Liothyronine	C15H12I3NO4	650.79004	NA  ;SYN:2-Amino-3-hydroxybenzoate; 2-Amino-3-hydroxybenzoic acid; 2-amino-3-hydroxy-Benzoate; 2-amino-3-hydroxy-Benzoic acid; 3-Hydroxy-2-aminobenzoate; 3-Hydroxy-2-aminobenzoic acid; 3-Hydroxy-anthranilsaeure; 3-hydroxyanthranilic acid; 3-Hydroxyanthranilate; 3-OHAA; 3-OH-anthranilic acid; 3-Oxyanthranilate; 3-Oxyanthranilic acid; 3-hydroxanthranilate; 3-hydroxyantranilic acid; 3-hydroxy-Anthranilate; 3-hydroxy-Anthranilic acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB00265	Liothyronine	C15H12I3NO4	650.79004	http://www.hmdb.ca/metabolites/HMDB00265	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00265	Liothyronine	C15H12I3NO4	650.79004	HMDB00265	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06780	Triiodo thyronine	C15H12I3NO4	650.79004	HMDB06780	PFEM_hmdb_metabocards_official	NA	NA
+2904	neuropeptide from eyestalk of Macrobrachium rosenb	GGRSPSLRLRFG	650.859	MH2+	Inhouse_peptide	NA	peptide
+7725	NA	RIGKMVSFPRI~	650.8807	MH2+	Inhouse_peptide	NA	peptide
+MJ088629	8-[[3-[(3-Nitrobenzoyl)amino]benzoyl]amino]-1,3,5-naphthalenetrisulfonic acid 	C24H17N3O13S3	650.992349	NA	MeJP	NA	NA
+MJ088630	Neosurugatoxin; 5'-O-Dexylosyl 	C25H26BrN5O11	651.081219	NA	MeJP	NA	NA
+HMDB00887	Hemin	C34H32ClFeN4O4	651.146118	NA	HMDB2010	NA	NA
+HMDB00887	Hemin	C34H32ClFeN4O4	651.14618	http://www.hmdb.ca/metabolites/HMDB00887	HMDB	NA	NA
+HMDB00887	Hemin	C34H32ClFeN4O4	651.14618	HMDB00887	PFEM_hmdb_metabocards_official	NA	NA
+C06767	Hemine	C34H32ClFeN4O4	651.1462	NA	KEGG	NA	NA
+C06768	Tetrasaccharide	C34H32ClFeN4O4	651.1462	NA	KEGG	NA	NA
+FL7AAAGA0008	Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(malonyl)-bata-D-galactopyranoside]	C29H31O17	651.15612	345306-90-3	knapsack	NA	NA
+PJ012441	GCNDDE 	C22H33N7O14S	651.1806	NA	PeJP	NA	NA
+PJ012442	GGGCDDE 	C22H33N7O14S	651.1807	NA	PeJP	NA	NA
+MJ088631	Chrymutin; O-[3-O-Methyl-?-D-fucopyranosyl-(1?2)-?-D-fucopyranoside] 	C33H33NO13	651.19519	NA	MeJP	NA	NA
+PJ012443	CNDDW 	C26H33N7O11S	651.1959	NA	PeJP	NA	NA
+PJ012444	SSNDDD 	C22H33N7O16	651.1984	NA	PeJP	NA	NA
+PJ012445	SPCCNE 	C23H37N7O11S2	651.1993	NA	PeJP	NA	NA
+PJ012446	CMMMH 	C24H41N7O6S4	651.2001	NA	PeJP	NA	NA
+PJ012447	TCCYY 	C28H37N5O9S2	651.2033	NA	PeJP	NA	NA
+PJ012448	DEEEM 	C24H37N5O14S	651.2058	NA	PeJP	NA	NA
+PJ012449	GCNNNM 	C22H37N9O10S2	651.2105	NA	PeJP	NA	NA
+PJ012450	GSPCCW 	C27H37N7O8S2	651.2145	NA	PeJP	NA	NA
+PJ012451	GSNDEM 	C23H37N7O13S	651.217	NA	PeJP	NA	NA
+PJ012452	GPCNMM 	C24H41N7O8S3	651.2179	NA	PeJP	NA	NA
+PJ012453	DDEHH 	C25H33N9O12	651.2249	NA	PeJP	NA	NA
+PJ012454	GSCDDR 	C22H37N9O12S	651.2283	NA	PeJP	NA	NA
+PJ012455	APCCCR 	C23H41N9O7S3	651.2291	NA	PeJP	NA	NA
+PJ012456	SNDMW 	C27H37N7O10S	651.2323	NA	PeJP	NA	NA
+PJ012457	SSSNEE 	C23H37N7O15	651.2348	NA	PeJP	NA	NA
+PJ012458	DQQMM 	C24H41N7O10S2	651.2356	NA	PeJP	NA	NA
+PJ012459	NQEMM 	C24H41N7O10S2	651.2357	NA	PeJP	NA	NA
+PJ012460	GCFYY 	C32H37N5O8S	651.2363	NA	PeJP	NA	NA
+PJ012461	PDEEY 	C28H37N5O13	651.2388	NA	PeJP	NA	NA
+PJ012462	GSSSSNN 	C22H37N9O14	651.246	NA	PeJP	NA	NA
+PJ012463	CNEMR 	C23H41N9O9S2	651.2469	NA	PeJP	NA	NA
+PJ012464	GTCWW 	C31H37N7O7S	651.2475	NA	PeJP	NA	NA
+PJ012465	GSSSEW 	C27H37N7O12	651.25	NA	PeJP	NA	NA
+PJ012466	GGGSPDY 	C27H37N7O12	651.2501	NA	PeJP	NA	NA
+PJ012467	GQMMW 	C28H41N7O7S2	651.2509	NA	PeJP	NA	NA
+PJ012468	GSTQEM 	C24H41N7O12S	651.2534	NA	PeJP	NA	NA
+PJ012469	GSYYY 	C32H37N5O10	651.2541	NA	PeJP	NA	NA
+PJ012470	APCCKM 	C25H45N7O7S3	651.2543	NA	PeJP	NA	NA
+PJ012471	CQQHH 	C25H37N11O8S	651.2547	NA	PeJP	NA	NA
+PJ012472	NNMHH 	C25H37N11O8S	651.2548	NA	PeJP	NA	NA
+PJ012473	PEEMF 	C29H41N5O10S	651.2574	NA	PeJP	NA	NA
+PJ012474	CCDRR 	C22H41N11O8S2	651.2581	NA	PeJP	NA	NA
+MJ088632	N-Acetylmuramoyl-L-alanyl-D-glutamyl-?-diaminoadipic acid 	C25H41N5O15	651.259915	NA	MeJP	NA	NA
+PJ012475	LEEMM 	C26H45N5O10S2	651.2608	NA	PeJP	NA	NA
+PJ012476	NNNQY 	C26H37N9O11	651.2613	NA	PeJP	NA	NA
+PJ012477	GCMRW 	C27H41N9O6S2	651.2622	NA	PeJP	NA	NA
+PJ012478	SSCNNK 	C23H41N9O11S	651.2646	NA	PeJP	NA	NA
+PJ012479	GSSDMR 	C23H41N9O11S	651.2647	NA	PeJP	NA	NA
+PJ012480	SSSWW 	C31H37N7O9	651.2653	NA	PeJP	NA	NA
+MJ088633	Rifamycin Z 	C35H41NO11	651.267961	NA	MeJP	NA	NA
+C14723	Rifamycin Z	C35H41NO11	651.268	NA	KEGG	NA	NA
+PJ012481	STQMW 	C28H41N7O9S	651.2687	NA	PeJP	NA	NA
+PJ012482	SSSDKE 	C24H41N7O14	651.2712	NA	PeJP	NA	NA
+PJ012483	NKEMM 	C25H45N7O9S2	651.272	NA	PeJP	NA	NA
+PJ012484	GGKEMM 	C25H45N7O9S2	651.2721	NA	PeJP	NA	NA
+PJ012485	GSSQHH 	C25H37N11O10	651.2725	NA	PeJP	NA	NA
+PJ012486	VEEEF 	C29H41N5O12	651.2752	NA	PeJP	NA	NA
+PJ012487	PDHHF 	C30H37N9O8	651.2765	NA	PeJP	NA	NA
+MJ088634	Cinecromen 	C34H41N3O10	651.279194	NA	MeJP	NA	NA
+PJ012488	STCRW 	C27H41N9O8S	651.2799	NA	PeJP	NA	NA
+PJ012489	NFWW 	C35H37N7O6	651.2805	NA	PeJP	NA	NA
+PJ012490	GGFWW 	C35H37N7O6	651.2806	NA	PeJP	NA	NA
+PJ012491	SSSSER 	C23H41N9O13	651.2824	NA	PeJP	NA	NA
+PJ012492	SQMMR 	C24H45N9O8S2	651.2833	NA	PeJP	NA	NA
+PJ012493	AMHFF 	C32H41N7O6S	651.2839	NA	PeJP	NA	NA
+PJ012494	GSTTTW 	C28H41N7O11	651.2864	NA	PeJP	NA	NA
+PJ012495	GKMMW 	C29H45N7O6S2	651.2873	NA	PeJP	NA	NA
+MetaCyc04011	17-&alpha;-(N-acetyl-D-glucosaminyl)estradiol 3-D-glucuronoside []	C32H45N1O13	651.289091	NA	metacyc	NA	NA
+C04806	17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside	C32H45NO13	651.2891	NA	KEGG	NA	NA
+PJ012496	GSTKEM 	C25H45N7O11S	651.2898	NA	PeJP	NA	NA
+PJ012497	PPEFY 	C33H41N5O9	651.2905	NA	PeJP	NA	NA
+PJ012498	CQKHH 	C26H41N11O7S	651.2911	NA	PeJP	NA	NA
+PJ012499	GACKHH 	C26H41N11O7S	651.2912	NA	PeJP	NA	NA
+PJ012500	PLEMY 	C30H45N5O9S	651.2938	NA	PeJP	NA	NA
+PJ012501	SCMRR 	C23H45N11O7S2	651.2945	NA	PeJP	NA	NA
+PJ012502	GQERY 	C27H41N9O10	651.2977	NA	PeJP	NA	NA
+7893	peptide from bovine b-lactoglobulin A	YVEEL	651.299	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ012503	GSTTMR 	C24H45N9O10S	651.301	NA	PeJP	NA	NA
+PJ012504	GVQYW 	C32H41N7O8	651.3017	NA	PeJP	NA	NA
+MJ088635	Myrsinol; 7-(3-Pyridinecarbonyl), 3,5-dibutanoyl, 15-Ac 	C36H45NO10	651.304346	NA	MeJP	NA	NA
+PJ012505	STKMW 	C29H45N7O8S	651.305	NA	PeJP	NA	NA
+PJ012506	GGPKMY 	C29H45N7O8S	651.3051	NA	PeJP	NA	NA
+PJ012507	SSTTKE 	C25H45N7O13	651.3075	NA	PeJP	NA	NA
+PJ012508	GSSSTTL 	C25H45N7O13	651.3076	NA	PeJP	NA	NA
+MJ088636	Methylprednisolone suleptanate 	C33H49NO10S	651.307717	NA	MeJP	NA	NA
+PJ012509	DKKMM 	C26H49N7O8S2	651.3084	NA	PeJP	NA	NA
+PJ012510	PNEHR 	C26H41N11O9	651.3089	NA	PeJP	NA	NA
+PJ012511	VLEEY 	C30H45N5O11	651.3116	NA	PeJP	NA	NA
+PJ012512	QRYW 	C31H41N9O7	651.3129	NA	PeJP	NA	NA
+7631	ACE inhibitor from k-CN (fr, 56-60)	LPYPY	651.314	antioxidative	Inhouse_peptide	NA	peptide
+PJ012513	AQMFR 	C28H45N9O7S	651.3163	NA	PeJP	NA	NA
+PJ012514	SSTTTR 	C24H45N9O12	651.3188	NA	PeJP	NA	NA
+PJ012515	SKMMR 	C25H49N9O7S2	651.3197	NA	PeJP	NA	NA
+PJ012516	VNKEY 	C29H45N7O10	651.3228	NA	PeJP	NA	NA
+PJ012517	GPHRW 	C30H41N11O6	651.3242	NA	PeJP	NA	NA
+PJ012518	SSSLKM 	C26H49N7O10S	651.3262	NA	PeJP	NA	NA
+PJ012519	PPLYY 	C34H45N5O8	651.3268	NA	PeJP	NA	NA
+PJ012520	ACFRR 	C27H45N11O6S	651.3275	NA	PeJP	NA	NA
+PJ012521	LLEMF 	C31H49N5O8S	651.3302	NA	PeJP	NA	NA
+PJ012522	GKERY 	C28H45N9O9	651.334	NA	PeJP	NA	NA
+PJ012523	GGSLRY 	C28H45N9O9	651.3341	NA	PeJP	NA	NA
+MJ088637	Glycylalanylprolylmethionylphenylalanylvalinamide; 4-L-Tyrosine analogue 	C33H45N7O7	651.338046	NA	MeJP	NA	NA
+PJ012524	GVKYW 	C33H45N7O7	651.3381	NA	PeJP	NA	NA
+MJ088638	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,9,10-tri-Ac 	C37H49NO9	651.340732	NA	MeJP	NA	NA
+MJ088639	Milbemycin ?3; 26-O-(2-Pyrrolylcarbonyloxy) 	C37H49NO9	651.340732	NA	MeJP	NA	NA
+MJ088640	Protostreptovaricin I; 19-O-Me 	C37H49NO9	651.340732	NA	MeJP	NA	NA
+MJ088641	Spicaledonine; 2'-Deoxy 	C37H49NO9	651.340732	NA	MeJP	NA	NA
+PJ012525	VQKMF 	C30H49N7O7S	651.3414	NA	PeJP	NA	NA
+PJ012526	GGLKMF 	C30H49N7O7S	651.3415	NA	PeJP	NA	NA
+MJ088642	Scutianine A; N-De-Me 	C38H45N5O5	651.342069	NA	MeJP	NA	NA
+C10014	Scutianine F	C38H45N5O5	651.3421	NA	KEGG	NA	NA
+3591	heparin-binding peptide	WQWRMKKLGA	651.3437	MH2+	Inhouse_peptide	NA	peptide
+PJ012527	TTTTTK 	C26H49N7O12	651.3439	NA	PeJP	NA	NA
+PJ012528	GTRRY 	C27H45N11O8	651.3453	NA	PeJP	NA	NA
+PJ012529	KRYW 	C32H45N9O6	651.3493	NA	PeJP	NA	NA
+PJ012530	AKMFR 	C29H49N9O6S	651.3527	NA	PeJP	NA	NA
+PJ012531	SPHRR 	C26H45N13O7	651.3565	NA	PeJP	NA	NA
+PJ012532	VDKKY 	C30H49N7O9	651.3592	NA	PeJP	NA	NA
+PJ012533	PLLFY 	C35H49N5O7	651.3632	NA	PeJP	NA	NA
+PJ012534	LLLMY 	C32H53N5O7S	651.3666	NA	PeJP	NA	NA
+PJ012535	SVKRY 	C29H49N9O8	651.3704	NA	PeJP	NA	NA
+PJ012536	GGGVLLH 	C29H49N9O8	651.3705	NA	PeJP	NA	NA
+PJ012537	VKKMF 	C31H53N7O6S	651.3778	NA	PeJP	NA	NA
+PJ012538	VLQHR 	C28H49N11O7	651.3817	NA	PeJP	NA	NA
+HMDB06750	beta-D-Galactosyl-1,4-beta-D-Glucosylceramide	C31H57NO13	651.383	http://www.hmdb.ca/metabolites/HMDB06750	HMDB	NA	NA
+HMDB06750	beta-D-Galactosyl-1,4-beta-D-Glucosylceramide	C31H57NO13	651.383	HMDB06750	PFEM_hmdb_metabocards_official	NA	NA
+PJ012539	ALHRR 	C27H49N13O6	651.3929	NA	PeJP	NA	NA
+3514	ACE inhibitor (a-La 105-110)	LAHKAL	651.394	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ012540	TLKKY 	C31H53N7O8	651.3956	NA	PeJP	NA	NA
+PJ012541	LLLFF 	C36H53N5O6	651.3996	NA	PeJP	NA	NA
+PJ012542	GPPLLR 	C30H53N9O7	651.4068	NA	PeJP	NA	NA
+7487	ACE inhibitor from b-casein (169-174)	KVLPVP	651.418	antioxidative	Inhouse_peptide	NA	peptide
+PJ012543	VLKHR 	C29H53N11O6	651.4181	NA	PeJP	NA	NA
+PJ012544	PPVVLK 	C32H57N7O7	651.432	NA	PeJP	NA	NA
+EUR807	Lyso PC 24:1 [M+FA-H]-	C32H64NO7P	651.446922	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR807	Lyso PC 24:1 [M+FA-H]-	C32H64NO7P	651.446922	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR807	Lyso PC 24:1 [M+FA-H]-	C32H64NO7P	651.446922	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR807	Lyso PC 24:1 [M+FA-H]-	C32H64NO7P	651.446922	masses lipides attendues	Inhousejuil11	NA	NA
+MJ088643	Myxovirescin P1 	C37H65NO8	651.471018	NA	MeJP	NA	NA
+MJ088644	Variceramides; Variceramide 1 	C41H81NO4	651.61656	NA	MeJP	NA	NA
+HMDB11768	Cer(d18:0/24:0)	C42H85NO3	651.652954	NA	HMDB2010	NA	NA
+MJ088645	Bromotris(1-phenyl-1,3-butanedionato-O,O')zirconium(IV) 	C30H27BrO6Zr	652.003804	NA	MeJP	NA	NA
+MJ088646	Malhamensilipin A 	C24H42Cl6O5S	652.088411	NA	MeJP	NA	NA
+MJ088647	Chebulinic acid; 3,6-Bis-O-degalloyl 	C27H24O19	652.091178	NA	MeJP	NA	NA
+MJ088648	Pelargoniin D 	C27H24O19	652.091178	NA	MeJP	NA	NA
+MJ088649	Congo red 	C32H24N6O6S2	652.119873	NA	MeJP	NA	NA
+FL3FADGS0012	Luteolin 3'-methyl ether 7-glucuronosyl-(1->2)-glucuronide	C28H28O18	652.12756	83097-46-5	knapsack	NA	NA
+FL3FADGS0024	Chrysoeriol 7,4'-diglucuronide;4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid	C28H28O18	652.12756	80366-06-9	knapsack	NA	NA
+MJ088650	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C28H28O18	652.127564	NA	MeJP	NA	NA
+MJ088651	?-Naphthocyclinone; Parent acid 	C32H28O15	652.14282	NA	MeJP	NA	NA
+MJ088652	Griffipavixanthone 	C36H28O12	652.158076	NA	MeJP	NA	NA
+MJ088653	Julimycin BI 	C36H28O12	652.158076	NA	MeJP	NA	NA
+PJ012545	GCCCMH 	C22H36N8O7S4	652.159	NA	PeJP	NA	NA
+FL3FACGS0057	Luteolin 7-(6'''-acetylallosyl-(1->2)-glucoside)	C29H32O17	652.16394	135649-96-6	knapsack	NA	NA
+FL3FACGS0058	Luteolin 7-(6'''-acetylsophoroside)	C29H32O17	652.16394	135546-08-6	knapsack	NA	NA
+FL3FAIGS0005	Tricin 7-rhamnosyl-(1->2)-galacturonide	C29H32O17	652.16394	89915-54-8	knapsack	NA	NA
+FL3FAJGS0001	Tricetin 4'-methyl ether 7-apiosyl-(1->2)-(6''-acetylglucoside);7-[(6-O-Acetyl-2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C29H32O17	652.16394	244173-90-8	knapsack	NA	NA
+FL3FFAGS0005	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-glucoside)	C29H32O17	652.16394	80666-75-7	knapsack	NA	NA
+FL5FAAGL0083	Kaempferol 3-(6''-acetylglucoside)-7-glucoside	C29H32O17	652.16394	66465-23-4	knapsack	NA	NA
+FL5FAAGS0119	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside;Ricinitin;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C29H32O17	652.16394	195702-53-5	knapsack	NA	NA
+FL5FACGA0040	Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside	C29H32O17	652.16394	124027-51-6	knapsack	NA	NA
+FL5FACGS0056	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside	C29H32O17	652.16394	145626-31-9	knapsack	NA	NA
+FL5FACGS0107	Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside);3-[[2-O-Acetyl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C29H32O17	652.16394	455253-61-9	knapsack	NA	NA
+FL5FADGS0030	Isorhamnetin 3-(2'''-acetyl-alpha-arabinopyranosyl)-(1->6)-galactoside;Quercetin 3'-methyl ether 3-(2'''-acetyl-alpha-arabinopyranosyl)-(1->6)-galactoside;3-[[6-O-(2-O-Acetyl-alpha-L-arabinopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C29H32O17	652.16394	209533-52-8	knapsack	NA	NA
+MJ088654	3',4',5,5',7-Pentahydroxyflavone; 4'-Me ether, 7-O-[?-D-apiofuranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088655	3',4',5,7-Tetrahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088656	4',5,7,8-Tetrahydroxyflavone; 4'-O-[2-O-Acetyl-?-D-mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088657	4',5,7,8-Tetrahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088658	4',5,7,8-Tetrahydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], Ac 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088659	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galacturonopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088660	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucuronopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088661	Astragalin; 2''-O-(6-O-Acetyl-?-D-glucopyranosyl) 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088662	Ellagic acid; 2,3,8-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088663	Hyperin; 7-O-?-L-Rhamnopyranoside, 6''-Ac 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088664	Populnin; 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088665	Quercitrin; 4''-O-(O-Acetyl-?-D-glucopyranosyl) 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088666	Rutin; O''-Ac 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088667	Trifolin; 3''-O-(6-O-Acetyl-?-D-glucopyranosyl) 	C29H32O17	652.163949	NA	MeJP	NA	NA
+MJ088668	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C29H33O17(+)	652.163949	NA	MeJP	NA	NA
+PJ012546	GCDDDE 	C22H32N6O15S	652.1647	NA	PeJP	NA	NA
+PJ012547	STCCCH 	C22H36N8O9S3	652.1768	NA	PeJP	NA	NA
+PJ012548	CDDDW 	C26H32N6O12S	652.1799	NA	PeJP	NA	NA
+PJ012549	SSDDDD 	C22H32N6O17	652.1824	NA	PeJP	NA	NA
+PJ012550	SPCCDE 	C23H36N6O12S2	652.1833	NA	PeJP	NA	NA
+PJ012551	PPCCCM 	C24H40N6O7S4	652.1842	NA	PeJP	NA	NA
+PJ012552	GCNNDM 	C22H36N8O11S2	652.1945	NA	PeJP	NA	NA
+MJ088669	Esmeraldine B 	C38H28N4O7	652.195799	NA	MeJP	NA	NA
+C12310	Esmeraldin B	C38H28N4O7	652.1958	NA	KEGG	NA	NA
+FL3FCKGS0004	Lethedioside B;Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->6)-glucoside;7-Methoxy-2-(3,4,5-trimethoxyphenyl)-5-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C30H36O16	652.20033	221289-32-3	knapsack	NA	NA
+FL3FGAGS0005	Nevadensin 7-rutinoside;7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C30H36O16	652.20033	210837-36-8	knapsack	NA	NA
+FLIA2CGS0004	Cladrastin 7-O-laminaribioside	C30H36O16	652.20033	68862-15-7	knapsack	NA	NA
+FLIAEAGS0008	5-Methoxyafrormosin 7-O-laminaribioside	C30H36O16	652.20033	68862-18-0	knapsack	NA	NA
+MJ088670	3',4',5,5',7-Pentahydroxyflavone; 3',4',5',7-Tetra-Me ether, 5-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088671	3',4',5,5',7-Pentahydroxyflavone; 3',4',5'-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088672	3',4',5,6,7-Pentahydroxyisoflavone; 3',4',6-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088673	3',4',6,7-Tetrahydroxyisoflavone; 3',4',6-Tri-Me ether, O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088674	4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088675	4',5,6,7-Tetrahydroxyisoflavone; 4',5,6-Tri-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-D-glucopyranoside] 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088676	Nyctanthoside; 10-Carboxylic acid, 7-O-(4-methoxy-E-cinnamoyl), 6-Ac, Me ester 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088677	Nyctanthoside; 10-Carboxylic acid, 7-O-(4-methoxy-Z-cinnamoyl), 6-Ac, Me ester 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088678	Sucrose; 3'-O-(3,4-Dimethoxycinnamoyl)(E-), 6-O-(4-hydroxybenzoyl) 	C30H36O16	652.200335	NA	MeJP	NA	NA
+MJ088679	Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-), 6-O-benzoyl 	C30H36O16	652.200335	NA	MeJP	NA	NA
+PJ012553	ASCDEE 	C23H36N6O14S	652.201	NA	PeJP	NA	NA
+PJ012554	GSDDEM 	C23H36N6O14S	652.2011	NA	PeJP	NA	NA
+PJ012555	GPCDMM 	C24H40N6O9S3	652.2019	NA	PeJP	NA	NA
+PJ012556	CCNQW 	C26H36N8O8S2	652.2098	NA	PeJP	NA	NA
+PJ012557	SSCNNE 	C22H36N8O13S	652.2123	NA	PeJP	NA	NA
+PJ012558	SDDMW 	C27H36N6O11S	652.2163	NA	PeJP	NA	NA
+PJ012559	SSSDEE 	C23H36N6O16	652.2188	NA	PeJP	NA	NA
+PJ012560	NEEMM 	C24H40N6O11S2	652.2197	NA	PeJP	NA	NA
+PJ012561	GPCCHH 	C25H36N10O7S2	652.221	NA	PeJP	NA	NA
+PJ012562	GSSCNW 	C26H36N8O10S	652.2275	NA	PeJP	NA	NA
+PJ012563	GSSSSND 	C22H36N8O15	652.23	NA	PeJP	NA	NA
+MJ088680	Bosistoabiflavanone 	C38H36O10	652.230847	NA	MeJP	NA	NA
+PJ012564	CDEMR 	C23H40N8O10S2	652.2309	NA	PeJP	NA	NA
+PJ012565	GSPDDY 	C27H36N6O13	652.2341	NA	PeJP	NA	NA
+PJ012566	GEMMW 	C28H40N6O8S2	652.2349	NA	PeJP	NA	NA
+MJ088681	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-methoxycinnamoyl-(?3)-?-L-rhamnopyranoside] 	C31H40O15	652.23672	NA	MeJP	NA	NA
+MJ088682	Matairesinol, 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C31H40O15	652.23672	NA	MeJP	NA	NA
+MJ088683	Pinoresinol, 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C31H40O15	652.23672	NA	MeJP	NA	NA
+PJ012567	GSTEEM 	C24H40N6O13S	652.2374	NA	PeJP	NA	NA
+PJ012568	GSPMMM 	C25H44N6O8S3	652.2383	NA	PeJP	NA	NA
+PJ012569	NDMHH 	C25H36N10O9S	652.2388	NA	PeJP	NA	NA
+PJ012570	GSCCQR 	C22H40N10O9S2	652.2421	NA	PeJP	NA	NA
+PJ012571	NNNEY 	C26H36N8O12	652.2453	NA	PeJP	NA	NA
+MJ088684	Dimethyl 5-(2,3-dihydro-3,7,8-trimethoxy-4-phenyl-1H-phenalen-6-yl)-2-phenyl-1,8-naphthalenedicarboxylate 	C42H36O7	652.246103	NA	MeJP	NA	NA
+PJ012572	CCNKW 	C27H40N8O7S2	652.2462	NA	PeJP	NA	NA
+PJ012573	SSSNQM 	C23H40N8O12S	652.2487	NA	PeJP	NA	NA
+PJ012574	GDEFW 	C31H36N6O10	652.2493	NA	PeJP	NA	NA
+PJ012575	MMWW 	C32H40N6O5S2	652.2502	NA	PeJP	NA	NA
+MJ088685	1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,3,6-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088686	1,2,3,4,8,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,3,8-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088687	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 2,4-di-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088688	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6,8-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088689	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 2,9-Dibenzoyl, 1,6,14-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088690	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Dibenzoyl, tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088691	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 2,9,14-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088692	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 2,8-Dibenzoyl, 6,9,14-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088693	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, Dibenzoyl, tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088694	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,8,14-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088695	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,6,14-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088696	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 6,8,14-tri-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088697	8,10(18),11-Pepluatriene-1,3,5,11,14,15,17-heptol, 3-Benzoyl, 1,5,14,17-tetra-Ac 	C35H40O12	652.251976	NA	MeJP	NA	NA
+MJ088698	Rocaglatic acid; Decarboxy, 3'-(2-O-acetyl-3-O-methyl-?-L-rhamnopyranosyloxy) 	C35H40O12	652.251976	NA	MeJP	NA	NA
+PJ012576	STEMW 	C28H40N6O10S	652.2527	NA	PeJP	NA	NA
+HMDB02242	Dehydroisocoproporphyrinogen	C36H36N4O8	652.253296	NA	HMDB2010	NA	NA
+HMDB02242	Dehydroisocoproporphyrinogen	C36H36N4O8	652.2533	http://www.hmdb.ca/metabolites/HMDB02242	HMDB	NA	NA
+HMDB02242	Dehydroisocoproporphyrinogen	C36H36N4O8	652.2533	HMDB02242	PFEM_hmdb_metabocards_official	NA	NA
+PJ012577	ACHHW 	C29H36N10O6S	652.254	NA	PeJP	NA	NA
+PJ012578	SSTTEE 	C24H40N6O15	652.2552	NA	PeJP	NA	NA
+PJ012579	DKEMM 	C25H44N6O10S2	652.2561	NA	PeJP	NA	NA
+PJ012580	GSSEHH 	C25H36N10O11	652.2565	NA	PeJP	NA	NA
+PJ012581	GGGGGPDH 	C25H36N10O11	652.2566	NA	PeJP	NA	NA
+PJ012582	SSSCNR 	C22H40N10O11S	652.2599	NA	PeJP	NA	NA
+PJ012583	GNNYW 	C30H36N8O9	652.2605	NA	PeJP	NA	NA
+PJ012584	GGGNYW 	C30H36N8O9	652.2606	NA	PeJP	NA	NA
+PJ012585	PCDRY 	C27H40N8O9S	652.2639	NA	PeJP	NA	NA
+PJ012586	DFWW 	C35H36N6O7	652.2646	NA	PeJP	NA	NA
+PJ012587	GSSSSTQ 	C23H40N8O14	652.2664	NA	PeJP	NA	NA
+PJ012588	SEMMR 	C24H44N8O9S2	652.2673	NA	PeJP	NA	NA
+PJ012589	GPMYW 	C32H40N6O7S	652.2679	NA	PeJP	NA	NA
+PJ012590	VNEEY 	C28H40N6O12	652.2704	NA	PeJP	NA	NA
+PJ012591	GGVEEY 	C28H40N6O12	652.2705	NA	PeJP	NA	NA
+PJ012592	SVMMW 	C29H44N6O7S2	652.2713	NA	PeJP	NA	NA
+PJ012593	SSHHW 	C29H36N10O8	652.2718	NA	PeJP	NA	NA
+MJ088699	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 4?,20-Epoxide, 2,5,7,9,10,13-hexa-Ac 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088700	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,4,7,9,10,13-Hexa-Ac 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088701	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4,4'-di-O-?-L-rhamnopyranoside 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088702	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 1,2,7,9,10,13-Hexa-Ac 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088703	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 2,5,7,9,10,13-Hexa-Ac 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088704	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2,4,7,9,10,13-Hexa-Ac 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088705	Azadirachtin; 11-Deoxy, O1-detigloyl, O3-de-Ac, O3-(2-methylpropanoyl) 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088706	Crocetin, Di-?-D-glucopyranosyl ester 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088707	Crocetin, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C32H44O14	652.273106	NA	MeJP	NA	NA
+MJ088708	Myricanol; 5-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C32H44O14	652.273106	NA	MeJP	NA	NA
+HMDB02353	Dicrocin	C32H44O14	652.27313	http://www.hmdb.ca/metabolites/HMDB02353	HMDB	NA	NA
+HMDB02353	Dicrocin	C32H44O14	652.27313	HMDB02353	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02353	Dicrocin	C32H44O14	652.273132	NA	HMDB2010	NA	NA
+PJ012594	SSSLEM 	C25H44N6O12S	652.2738	NA	PeJP	NA	NA
+PJ012595	LQMMM 	C26H48N6O7S3	652.2747	NA	PeJP	NA	NA
+PJ012596	CNNFR 	C26H40N10O8S	652.2751	NA	PeJP	NA	NA
+PJ012597	GGCNFR 	C26H40N10O8S	652.2752	NA	PeJP	NA	NA
+MJ088709	Curacautine; 10-Demethoxy 	C38H40N2O8	652.278466	NA	MeJP	NA	NA
+MJ088710	Revolutinone 	C38H40N2O8	652.278466	NA	MeJP	NA	NA
+MJ088711	Salutadimerine 	C38H40N2O8	652.278466	NA	MeJP	NA	NA
+MJ088712	Secoobaberine 	C38H40N2O8	652.278466	NA	MeJP	NA	NA
+MJ088713	Thalibrunimine 	C38H40N2O8	652.278466	NA	MeJP	NA	NA
+MJ088714	Thalpindione 	C38H40N2O8	652.278466	NA	MeJP	NA	NA
+PJ012598	GSCCKR 	C23H44N10O8S2	652.2785	NA	PeJP	NA	NA
+PJ012599	GEERY 	C27H40N8O11	652.2817	NA	PeJP	NA	NA
+PJ012600	PCMFR 	C28H44N8O6S2	652.2826	NA	PeJP	NA	NA
+PJ012601	SSSNKM 	C24H44N8O11S	652.285	NA	PeJP	NA	NA
+PJ012602	GGSSSKM 	C24H44N8O11S	652.2851	NA	PeJP	NA	NA
+PJ012603	GVEYW 	C32H40N6O9	652.2857	NA	PeJP	NA	NA
+PJ012604	CLMMR 	C25H48N8O6S3	652.2859	NA	PeJP	NA	NA
+PJ012605	TCHHR 	C25H40N12O7S	652.2864	NA	PeJP	NA	NA
+MJ088715	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 2-(2-methylbutanoyl), 1-Ac 	C36H44O11	652.288362	NA	MeJP	NA	NA
+MJ088716	Schizantherin I 	C36H44O11	652.288362	NA	MeJP	NA	NA
+PJ012606	PDKMY 	C29H44N6O9S	652.2891	NA	PeJP	NA	NA
+MJ088717	Haplophytine 	C37H40N4O7	652.289699	NA	MeJP	NA	NA
+C09208	Haplophytine	C37H40N4O7	652.2897	NA	KEGG	NA	NA
+PJ012607	TTTTTE 	C25H44N6O14	652.2916	NA	PeJP	NA	NA
+PJ012608	GTTLMM 	C26H48N6O9S2	652.2924	NA	PeJP	NA	NA
+PJ012609	SNNRY 	C26H40N10O10	652.2929	NA	PeJP	NA	NA
+PJ012610	ERYW 	C31H40N8O8	652.2969	NA	PeJP	NA	NA
+MJ088718	Anhweidelphinine 	C35H44N2O10	652.299595	NA	MeJP	NA	NA
+MJ088719	Nudicauline; O14-De-Ac, O14-ketone, O1-de-Me 	C35H44N2O10	652.299595	NA	MeJP	NA	NA
+C08657	Anhwiedelphinine	C35H44N2O10	652.2996	NA	KEGG	NA	NA
+PJ012611	SPMRY 	C28H44N8O8S	652.3003	NA	PeJP	NA	NA
+PJ012612	VYWW 	C36H40N6O6	652.301	NA	PeJP	NA	NA
+MJ088720	Callipeltoside C 	C34H49ClO10	652.301425	NA	MeJP	NA	NA
+PJ012613	GSSSSTK 	C24H44N8O13	652.3028	NA	PeJP	NA	NA
+PJ012614	GSCKKM 	C25H48N8O8S2	652.3037	NA	PeJP	NA	NA
+PJ012615	GLMFW 	C33H44N6O6S	652.3043	NA	PeJP	NA	NA
+PJ012616	VDKEY 	C29H44N6O11	652.3068	NA	PeJP	NA	NA
+PJ012617	PKMMF 	C30H48N6O6S2	652.3077	NA	PeJP	NA	NA
+PJ012618	VNHHF 	C30H40N10O7	652.3082	NA	PeJP	NA	NA
+PJ012619	STTTLM 	C26H48N6O11S	652.3102	NA	PeJP	NA	NA
+PJ012620	LKMMM 	C27H52N6O6S3	652.3111	NA	PeJP	NA	NA
+PJ012621	TKMHH 	C27H44N10O7S	652.3115	NA	PeJP	NA	NA
+MJ088721	Calafatine 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088722	Hernandezine 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088723	Herveline C; O12'-De-Me 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088724	Herveline C; O8-De-Me 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088725	Thalidasine 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088726	Thalifaberine; 3-Demethoxy, O7'-de-Me 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088727	Thalifaberine; 3-Demethoxy, O9-de-Me 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088728	Thaliracebine 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+MJ088729	Thalrugosaminine 	C39H44N2O7	652.314851	NA	MeJP	NA	NA
+C09461	Hernandezine	C39H44N2O7	652.3149	NA	KEGG	NA	NA
+C09656	Thalidasine	C39H44N2O7	652.3149	NA	KEGG	NA	NA
+PJ012622	SVERY 	C28H44N8O10	652.3181	NA	PeJP	NA	NA
+PJ012623	GHHFR 	C29H40N12O6	652.3194	NA	PeJP	NA	NA
+PJ012624	SSTCKK 	C25H48N8O10S	652.3214	NA	PeJP	NA	NA
+MJ088730	Dichotomin A; 6-L-Alanine analogue 	C33H44N6O8	652.322062	NA	MeJP	NA	NA
+PJ012625	ATLYW 	C33H44N6O8	652.3221	NA	PeJP	NA	NA
+C09101	Gnididilatin	C37H48O10	652.3247	NA	KEGG	NA	NA
+MJ088731	Gnidilatin 	C37H48O10	652.324747	NA	MeJP	NA	NA
+MJ088732	Kraussianin; 28-Deoxy, 3-debenzoyl, 3-ketone, 18-benzoyloxy 	C37H48O10	652.324747	NA	MeJP	NA	NA
+MJ088733	Kraussianin; 3-Debenzoyloxy, 3-oxo, 28-benzoyl 	C37H48O10	652.324747	NA	MeJP	NA	NA
+MJ088734	Nimbolinin; 12-Ketone(lactone), 7-tigloyl, 1-O-(2-methylpropanoyl), 3-Ac 	C37H48O10	652.324747	NA	MeJP	NA	NA
+PJ012626	LLNMY 	C30H48N6O8S	652.3254	NA	PeJP	NA	NA
+PJ012627	VLQMY 	C30H48N6O8S	652.3255	NA	PeJP	NA	NA
+PJ012628	GSPQKH 	C27H44N10O9	652.3293	NA	PeJP	NA	NA
+MJ088735	Antibiotic PF 1057A 	C31H56O10S2	652.331489	NA	MeJP	NA	NA
+PJ012629	PTLHW 	C32H44N8O7	652.3333	NA	PeJP	NA	NA
+MJ088736	Ansatrienin B; 20,23-Quinone, 19-hydroxy 	C36H48N2O9	652.335981	NA	MeJP	NA	NA
+MJ088737	Ansatrienin B; 20,23-Quinone, 4''-hydroxy 	C36H48N2O9	652.335981	NA	MeJP	NA	NA
+PJ012630	ALMRY 	C29H48N8O7S	652.3367	NA	PeJP	NA	NA
+PJ012631	VNQHR 	C26H44N12O8	652.3405	NA	PeJP	NA	NA
+PJ012632	GGGGLHR 	C26H44N12O8	652.3406	NA	PeJP	NA	NA
+MJ088738	Pentasine 	C30H49N6O10(+)	652.343191	NA	MeJP	NA	NA
+PJ012633	TLKEY 	C30H48N6O10	652.3432	NA	PeJP	NA	NA
+PJ012634	PPHFR 	C31H44N10O6	652.3446	NA	PeJP	NA	NA
+MJ088739	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C34H52O12	652.345877	NA	MeJP	NA	NA
+PJ012635	PLMHR 	C28H48N10O6S	652.3479	NA	PeJP	NA	NA
+C07919	Metocurine	C40H48N2O6	652.3512	NA	KEGG	NA	NA
+C07920	Transferred to D00761	C40H48N2O6	652.3512	NA	KEGG	NA	NA
+MJ088740	Petuniasterone C; 7,22-Bis-(3-pyridinecarbonyl) 	C40H48N2O6	652.351237	NA	MeJP	NA	NA
+MJ088741	Pisopowiaridine; Tri-Me ether 	C40H48N2O6	652.351237	NA	MeJP	NA	NA
+MJ088742	Capreomycin; Capreomycin IB 	C25H44N14O7	652.351739	NA	MeJP	NA	NA
+PJ012636	GQHRR 	C25H44N14O7	652.3518	NA	PeJP	NA	NA
+PJ012637	TTLRY 	C29H48N8O9	652.3544	NA	PeJP	NA	NA
+PJ012638	GGTKKY 	C29H48N8O9	652.3545	NA	PeJP	NA	NA
+PJ012639	PVKFY 	C34H48N6O7	652.3585	NA	PeJP	NA	NA
+MJ088743	Myrtucommulone D 	C38H52O9	652.361133	NA	MeJP	NA	NA
+PJ012640	VLKMY 	C31H52N6O7S	652.3618	NA	PeJP	NA	NA
+PJ012641	PPPVLM 	C31H52N6O7S	652.3619	NA	PeJP	NA	NA
+MJ088744	5-[4-(2-Benzofuranylmethyl)-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]-2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(phenylmethyl)-D-erythro-pentonamide 	C39H48N4O5	652.36247	NA	MeJP	NA	NA
+PJ012642	VLEHR 	C28H48N10O8	652.3657	NA	PeJP	NA	NA
+PJ012643	VVLHW 	C33H48N8O6	652.3697	NA	PeJP	NA	NA
+MJ088745	Ansatrienin B; 20-Me ether 	C37H52N2O8	652.372366	NA	MeJP	NA	NA
+PJ012644	CKKKF 	C30H52N8O6S	652.3731	NA	PeJP	NA	NA
+PJ012645	PPQRR 	C27H48N12O7	652.3769	NA	PeJP	NA	NA
+PJ012646	PPVVLE 	C31H52N6O9	652.3796	NA	PeJP	NA	NA
+MJ088746	1,2,3,19,23-Pentahydroxy-12-ursen-28-oic acid, ?-D-Xylopyranosyl ester 	C35H56O11	652.382262	NA	MeJP	NA	NA
+MJ088747	6(17),11-Jatrophadiene-3,5,7,8,9,14,15-heptol, 5,7-Bis(2-methylpropanoyl), 8-(2-methylbutanoyl), 14-Ac 	C35H56O11	652.382262	NA	MeJP	NA	NA
+PJ012647	GKHRR 	C26H48N14O6	652.3882	NA	PeJP	NA	NA
+PJ012648	SKKKY 	C30H52N8O8	652.3908	NA	PeJP	NA	NA
+PJ012649	GAAPPLK 	C30H52N8O8	652.3909	NA	PeJP	NA	NA
+PJ012650	VLKFF 	C35H52N6O6	652.3949	NA	PeJP	NA	NA
+PJ012651	GPPVKR 	C29H52N10O7	652.4021	NA	PeJP	NA	NA
+PJ012652	PPKRR 	C28H52N12O6	652.4133	NA	PeJP	NA	NA
+PJ012653	PPTLLL 	C32H56N6O8	652.416	NA	PeJP	NA	NA
+MJ088748	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Glucopyranoside 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088749	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Glucopyranoside 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088750	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Glucopyranoside 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088751	Cumingianoside G; 3-Ketone 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088752	Cycloart-24-ene-1,3,12,16,26-pentol, 26-O-?-D-Glucopyranoside 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088753	Cycloartane-3,6,16,24,25-pentol, 6-Ketone, 3-O-?-D-glucopyranoside 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088754	Dammar-24-ene-3,6,20,21,26-pentol, 3-Ketone, 26-O-?-D-glucopyranoside 	C36H60O10	652.418648	NA	MeJP	NA	NA
+MJ088755	Duamycin 	C36H60O10	652.418648	NA	MeJP	NA	NA
+PJ012654	APPLKK 	C31H56N8O7	652.4272	NA	PeJP	NA	NA
+MJ088756	Acacigenin B 	C40H60O7	652.433904	NA	MeJP	NA	NA
+PJ012655	LKKKH 	C30H56N10O6	652.4385	NA	PeJP	NA	NA
+MJ088757	Sporidesmolides; Sporidesmolide II 	C34H60N4O8	652.441114	NA	MeJP	NA	NA
+MJ088758	Sporidesmolides; Sporidesmolide IV 	C34H60N4O8	652.441114	NA	MeJP	NA	NA
+PJ012656	PVVLLL 	C33H60N6O7	652.4524	NA	PeJP	NA	NA
+MJ088759	Antibiotic WB 3559B 	C37H68N2O7	652.502652	NA	MeJP	NA	NA
+MJ088760	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Heptaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088761	20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one; 23,24-Dihydro 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088762	20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one; 43,44-Dihydro 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088763	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 14-Ketone 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088764	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 17,18-Didehydro(E-) 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088765	Petroformyne 1; 42,43-Dihydro, 44-deoxy, 20-ketone 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088766	Petroformyne 1; 44-Deoxy, ?43-isomer 	C46H68O2	652.521931	NA	MeJP	NA	NA
+MJ088767	Spirost-5-en-3-ol, Hexadecanoyl 	C43H72O4	652.54306	NA	MeJP	NA	NA
+MJ088768	1,3-Didodecanoyl-5-tetradecanoylbenzene 	C44H76O3	652.579446	NA	MeJP	NA	NA
+MJ088769	20(29)-Lupene-3,16-diol, 3-Tetradecanoyl 	C44H76O3	652.579446	NA	MeJP	NA	NA
+MJ088770	20-Taraxastene-3,16-diol, 3-Tetradecanoyl 	C44H76O3	652.579446	NA	MeJP	NA	NA
+HMDB07035	DG(14:0/24:0/0:0)	C41H80O5	652.600586	NA	HMDB2010	NA	NA
+HMDB07115	DG(16:0/22:0/0:0)	C41H80O5	652.600586	NA	HMDB2010	NA	NA
+HMDB07165	DG(18:0/20:0/0:0)	C41H80O5	652.600586	NA	HMDB2010	NA	NA
+HMDB07361	DG(20:0/18:0/0:0)	C41H80O5	652.600586	NA	HMDB2010	NA	NA
+HMDB07591	DG(22:0/16:0/0:0)	C41H80O5	652.600586	NA	HMDB2010	NA	NA
+HMDB07791	DG(24:0/14:0/0:0)	C41H80O5	652.600586	NA	HMDB2010	NA	NA
+HMDB05211	DG(18:0/20:0/0:0)[iso2]	C41H80O5	652.60059	http://www.hmdb.ca/metabolites/HMDB05211	HMDB	NA	NA
+HMDB05211	DG(18:0/20:0/0:0)[iso2]	C41H80O5	652.60059	HMDB05211	PFEM_hmdb_metabocards_official	NA	NA
+MJ088771	Stigmast-5-en-3-ol, Hexadecanoyl 	C45H80O2	652.615831	NA	MeJP	NA	NA
+HMDB00952	Cholesteryl stearic acid	C45H80O2	652.61584	http://www.hmdb.ca/metabolites/HMDB00952	HMDB	NA	NA
+HMDB00952	Cholesteryl stearic acid	C45H80O2	652.61584	HMDB00952	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10368	CE(18:0)	C45H80O2	652.615845	NA	HMDB2010	NA	NA
+C13863	2,3-Di-O-phytanyl-sn-glycerol	C43H88O3	652.6733	NA	KEGG	NA	NA
+MJ088772	Archaeol 	C43H88O3	652.673346	NA	MeJP	NA	NA
+PJ012657	PCCCND 	C22H35N7O10S3	653.1608	NA	PeJP	NA	NA
+PJ012658	CCCYY 	C27H35N5O8S3	653.1648	NA	PeJP	NA	NA
+FL7AACGL0043	Cyanidin 3-(6''-acetylglucoside)-5-glucoside	C29H33O17	653.17177	133179-76-7	knapsack	NA	NA
+FL7AACGL0117	Cyanidin 3-glucoside-5-(6-acetylglucoside)	C29H33O17	653.17177	202661-54-9	knapsack	NA	NA
+FL7AAGGL0045	Delphinidin 3-[6-(2-acetylrhamnosyl)glucoside]	C29H33O17	653.17177	247570-51-0	knapsack	NA	NA
+FL7AAGGL0046	Delphinidin 3-[6-(3-acetylrhamnosyl)glucoside]	C29H33O17	653.17177	247570-50-9	knapsack	NA	NA
+PJ012659	GCNDDM 	C22H35N7O12S2	653.1785	NA	PeJP	NA	NA
+PJ012660	GGGCDDM 	C22H35N7O12S2	653.1786	NA	PeJP	NA	NA
+FL7ACIGL0002	Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside	C33H33O14	653.18703	623571-84-6	knapsack	NA	NA
+PJ012661	SCCNNN 	C21H35N9O11S2	653.1898	NA	PeJP	NA	NA
+PJ012662	CCNEW 	C26H35N7O9S2	653.1938	NA	PeJP	NA	NA
+PJ012663	SSCNDE 	C22H35N7O14S	653.1963	NA	PeJP	NA	NA
+PJ012664	SPCCNM 	C23H39N7O9S3	653.1972	NA	PeJP	NA	NA
+PJ012665	DEEMM 	C24H39N5O12S2	653.2037	NA	PeJP	NA	NA
+PJ012666	GCCWW 	C30H35N7O6S2	653.209	NA	PeJP	NA	NA
+MJ088773	Elsamicin A 	C33H35NO13	653.21084	NA	MeJP	NA	NA
+PJ012667	GSSCDW 	C26H35N7O11S	653.2116	NA	PeJP	NA	NA
+PJ012668	GSSSSDD 	C22H35N7O16	653.2141	NA	PeJP	NA	NA
+PJ012669	GSNDMM 	C23H39N7O11S2	653.2149	NA	PeJP	NA	NA
+PJ012670	DDEEF 	C27H35N5O14	653.2181	NA	PeJP	NA	NA
+MJ088774	?-Ergocryptine; 2-Bromo 	C32H40BrN5O5	653.221282	NA	MeJP	NA	NA
+C06856	Bromocriptine	C32H40BrN5O5	653.2213	NA	KEGG	NA	NA
+PJ012671	DDMHH 	C25H35N9O10S	653.2228	NA	PeJP	NA	NA
+PJ012672	GSCCER 	C22H39N9O10S2	653.2262	NA	PeJP	NA	NA
+PJ012673	NNDEY 	C26H35N7O13	653.2293	NA	PeJP	NA	NA
+PJ012674	SCQMW 	C27H39N7O8S2	653.2302	NA	PeJP	NA	NA
+PJ012675	SSSNEM 	C23H39N7O13S	653.2327	NA	PeJP	NA	NA
+PJ012676	NQMMM 	C24H43N7O8S3	653.2335	NA	PeJP	NA	NA
+PJ012677	GGQMMM 	C24H43N7O8S3	653.2336	NA	PeJP	NA	NA
+PJ012678	GSCNHH 	C24H35N11O9S	653.234	NA	PeJP	NA	NA
+PJ012679	PDEMY 	C28H39N5O11S	653.2367	NA	PeJP	NA	NA
+PJ012680	GPNDDH 	C25H35N9O12	653.2406	NA	PeJP	NA	NA
+PJ012681	SCCRW 	C26H39N9O7S2	653.2414	NA	PeJP	NA	NA
+PJ012682	SSSCDR 	C22H39N9O12S	653.2439	NA	PeJP	NA	NA
+PJ012683	GNDYW 	C30H35N7O10	653.2446	NA	PeJP	NA	NA
+PJ012684	CNMMR 	C23H43N9O7S3	653.2448	NA	PeJP	NA	NA
+MJ088775	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-benzoyl, 2,6,14-tri-Ac 	C34H39NO12	653.247225	NA	MeJP	NA	NA
+MJ088776	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-benzoyl, 2,6,14-tri-Ac 	C34H39NO12	653.247225	NA	MeJP	NA	NA
+MJ088777	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 2,6,14-tri-Ac 	C34H39NO12	653.247225	NA	MeJP	NA	NA
+PJ012685	GSSSMW 	C27H39N7O10S	653.2479	NA	PeJP	NA	NA
+PJ012686	GSSSSTE 	C23H39N7O15	653.2504	NA	PeJP	NA	NA
+PJ012687	GSTQMM 	C24H43N7O10S2	653.2513	NA	PeJP	NA	NA
+PJ012688	VDEEY 	C28H39N5O13	653.2545	NA	PeJP	NA	NA
+PJ012689	PEMMF 	C29H43N5O8S2	653.2553	NA	PeJP	NA	NA
+PJ012690	LEMMM 	C26H47N5O8S3	653.2587	NA	PeJP	NA	NA
+PJ012691	CNDFR 	C26H39N9O9S	653.2592	NA	PeJP	NA	NA
+PJ012692	GSTCMR 	C23H43N9O9S2	653.2625	NA	PeJP	NA	NA
+PJ012693	GNMFW 	C31H39N7O7S	653.2632	NA	PeJP	NA	NA
+PJ012694	SSSSTW 	C27H39N7O12	653.2657	NA	PeJP	NA	NA
+PJ012695	SCKMW 	C28H43N7O7S2	653.2666	NA	PeJP	NA	NA
+MJ088778	[[4'-[[6-(Benzoylamino)-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridin-3-yl]methyl][1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; 3-Methylbutyl ester 	C36H39N5O5S	653.26719	NA	MeJP	NA	NA
+PJ012696	SSSDKM 	C24H43N7O12S	653.2691	NA	PeJP	NA	NA
+PJ012697	PPDYY 	C32H39N5O10	653.2697	NA	PeJP	NA	NA
+PJ012698	NKMMM 	C25H47N7O7S3	653.2699	NA	PeJP	NA	NA
+PJ012699	VEEMF 	C29H43N5O10S	653.2731	NA	PeJP	NA	NA
+PJ012700	SNDRY 	C26H39N9O11	653.2769	NA	PeJP	NA	NA
+PJ012701	VMMHH 	C27H43N9O6S2	653.2778	NA	PeJP	NA	NA
+PJ012702	SHHHH 	C27H35N13O7	653.2783	NA	PeJP	NA	NA
+PJ012703	SSSSMR 	C23H43N9O11S	653.2803	NA	PeJP	NA	NA
+PJ012704	GTQYW 	C31H39N7O9	653.2809	NA	PeJP	NA	NA
+PJ012705	GGATYW 	C31H39N7O9	653.281	NA	PeJP	NA	NA
+C14722	Rifamycin W-hemiacetal	C35H43NO11	653.2836	NA	KEGG	NA	NA
+MJ088779	Rifamycin Z; 34a-Alcohol 	C35H43NO11	653.283611	NA	MeJP	NA	NA
+PJ012706	VNQMY 	C28H43N7O9S	653.2843	NA	PeJP	NA	NA
+PJ012707	SSSSSSL 	C24H43N7O14	653.2868	NA	PeJP	NA	NA
+PJ012708	GSTKMM 	C25H47N7O9S2	653.2877	NA	PeJP	NA	NA
+PJ012709	NQQQH 	C25H39N11O10	653.2882	NA	PeJP	NA	NA
+PJ012710	PPMFY 	C33H43N5O7S	653.2883	NA	PeJP	NA	NA
+MJ088780	Haplosamate A 	C29H51NO11S2	653.290352	NA	MeJP	NA	NA
+PJ012711	TLEEY 	C29H43N5O12	653.2908	NA	PeJP	NA	NA
+PJ012712	PLMMY 	C30H47N5O7S2	653.2917	NA	PeJP	NA	NA
+PJ012713	SPQHW 	C30H39N9O8	653.2922	NA	PeJP	NA	NA
+2867	NA	YPFVE	653.293	antibacterial	Inhouse_peptide	NA	peptide
+PJ012714	GQMRY 	C27H43N9O8S	653.2955	NA	PeJP	NA	NA
+PJ012715	GGAMRY 	C27H43N9O8S	653.2956	NA	PeJP	NA	NA
+PJ012716	GHFFF 	C35H39N7O6	653.2962	NA	PeJP	NA	NA
+PJ012717	NNNHR 	C24H39N13O9	653.2994	NA	PeJP	NA	NA
+PJ012718	ACKFW 	C32H43N7O6S	653.2996	NA	PeJP	NA	NA
+PJ012719	SQKEY 	C28H43N7O11	653.3021	NA	PeJP	NA	NA
+PJ012720	SSTTKM 	C25H47N7O11S	653.3054	NA	PeJP	NA	NA
+PJ012721	PVEFY 	C33H43N5O9	653.3061	NA	PeJP	NA	NA
+PJ012722	GCRRY 	C26H43N11O7S	653.3068	NA	PeJP	NA	NA
+PJ012723	VLEMY 	C30H47N5O9S	653.3095	NA	PeJP	NA	NA
+PJ012724	STQRY 	C27H43N9O10	653.3133	NA	PeJP	NA	NA
+PJ012725	GTKYW 	C32H43N7O8	653.3173	NA	PeJP	NA	NA
+PJ012726	GGGGLFF 	C32H43N7O8	653.3174	NA	PeJP	NA	NA
+MJ088781	Protostreptovaricin I; 14?-Hydroxy 	C36H47NO10	653.319996	NA	MeJP	NA	NA
+PJ012727	VNKMY 	C29H47N7O8S	653.3207	NA	PeJP	NA	NA
+C15661	A 80987	C37H43N5O6	653.3213	NA	KEGG	NA	NA
+PJ012728	PPFFF 	C37H43N5O6	653.3214	NA	PeJP	NA	NA
+PJ012729	LNDHR 	C26H43N11O9	653.3245	NA	PeJP	NA	NA
+PJ012730	VNEHR 	C26H43N11O9	653.3246	NA	PeJP	NA	NA
+PJ012731	PLMFF 	C34H47N5O6S	653.3247	NA	PeJP	NA	NA
+PJ012732	LLMMF 	C31H51N5O6S2	653.3281	NA	PeJP	NA	NA
+PJ012733	SPKHW 	C31H43N9O7	653.3286	NA	PeJP	NA	NA
+PJ012734	GKMRY 	C28H47N9O7S	653.3319	NA	PeJP	NA	NA
+PJ012735	GPPPMR 	C28H47N9O7S	653.332	NA	PeJP	NA	NA
+PJ012736	GEHRR 	C25H43N13O8	653.3358	NA	PeJP	NA	NA
+3686	Neokyotorphin	TSKYR	653.337	ACE inhibitor	Inhouse_peptide	NA	peptide
+8192	Antibacterial peptide	TSKYR	653.337	NA  ;SYN:Argininosuccinate; Argininosuccinic acid; Arginosuccinate; Arginosuccinic acid; L-Argininosuccinate; L-Argininosuccinic acid; L-Arginosuccinate; L-Arginosuccinic acid; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartate; N-(((4-amino-4-carboxybutyl)amino)iminomethyl)-L-Aspartic acid; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartate; N-[(4-amino-4-carboxybutyl)amidino]-L-Aspartic acid; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartate; N-[[(4-amino-4-carboxybutyl)amino]iminomethyl]-L-Aspartic acid; 2-(N(omega)-L-arginino)succinate; 2-(N(omega)-L-arginino)succinic acid; N-(L-arginino) succinate; N-(L-arginino) succinic acid; 2-(Nw-L-arginino)butanedioic acid; 2-(N(omega)-L-arginine)succinate; 2-(N(omega)-L-arginine)succinic acid; N-(L-Arginino)succinate; N-(L-Arginino)succinic acid; ASA; N(omega)-(L-arginino)succinate; N(omega)-(L-arginino)succinic acid; 2-(Nw-L-arginino)butanedioateH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ012737	SKKEY 	C29H47N7O10	653.3385	NA	PeJP	NA	NA
+PJ012738	GVHRW 	C30H43N11O6	653.3398	NA	PeJP	NA	NA
+PJ012739	PVLYY 	C34H47N5O8	653.3425	NA	PeJP	NA	NA
+MJ088782	Neokyotorphin 	C28H47N9O9	653.349674	NA	MeJP	NA	NA
+PJ012740	STKRY 	C28H47N9O9	653.3497	NA	PeJP	NA	NA
+PJ012741	HRRW 	C29H43N13O5	653.351	NA	PeJP	NA	NA
+3970	ACE inhibitor (fragment of a-lactalbumin: 104-108)	WLAHK	653.352	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ012742	AAPPLW 	C33H47N7O7	653.3537	NA	PeJP	NA	NA
+MJ088783	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 9,10,13-tri-Ac 	C37H51NO9	653.356382	NA	MeJP	NA	NA
+PJ012743	CLKKY 	C30H51N7O7S	653.3571	NA	PeJP	NA	NA
+PJ012744	PPERR 	C27H47N11O8	653.3609	NA	PeJP	NA	NA
+3566	NA	EPKAIP	653.361	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ088784	Bdelloura candida Neuropeptide 1 	C32H47N9O6	653.36493	NA	MeJP	NA	NA
+PJ012745	PPVRW 	C32H47N9O6	653.365	NA	PeJP	NA	NA
+PJ012746	SVHRR 	C26H47N13O7	653.3722	NA	PeJP	NA	NA
+PJ012747	SPPILQ 	C30H51N7O9	653.3748	NA	PeJP	NA	NA
+PJ012748	APPLKE 	C30H51N7O9	653.3749	NA	PeJP	NA	NA
+PJ012749	VLLFY 	C35H51N5O7	653.3789	NA	PeJP	NA	NA
+PJ012750	APPTLR 	C29H51N9O8	653.3861	NA	PeJP	NA	NA
+PJ012751	TLKHR 	C28H51N11O7	653.3973	NA	PeJP	NA	NA
+PJ012752	SPPLLK 	C31H55N7O8	653.4112	NA	PeJP	NA	NA
+PJ012753	GGPVVLL 	C31H55N7O8	653.4113	NA	PeJP	NA	NA
+PJ012754	GPVLLR 	C30H55N9O7	653.4225	NA	PeJP	NA	NA
+C15757	Enniatin B4	C34H59N3O9	653.4251	NA	KEGG	NA	NA
+MJ088785	Enniatin B1 	C34H59N3O9	653.42513	NA	MeJP	NA	NA
+MJ088786	Enniatin D 	C34H59N3O9	653.42513	NA	MeJP	NA	NA
+MJ088787	Pimaydolide 	C34H59N3O9	653.42513	NA	MeJP	NA	NA
+PJ012755	PLLRR 	C29H55N11O6	653.4337	NA	PeJP	NA	NA
+PJ012756	APLLLK 	C32H59N7O7	653.4476	NA	PeJP	NA	NA
+MJ088788	Dragonamide 	C37H59N5O5	653.45162	NA	MeJP	NA	NA
+EUR802	Lyso PC 24:0 [M+FA-H]-	C32H66NO7P	653.462572	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR802	Lyso PC 24:0 [M+FA-H]-	C32H66NO7P	653.462572	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR802	Lyso PC 24:0 [M+FA-H]-	C32H66NO7P	653.462572	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR802	Lyso PC 24:0 [M+FA-H]-	C32H66NO7P	653.462572	masses lipides attendues	Inhousejuil11	NA	NA
+MJ088789	2,2',3,4,5-Pentabromo-6-hydroxydiphenyl ether; 4'-Bromo 	C12H4Br6O2	653.531155	NA	MeJP	NA	NA
+MJ088790	1,11,19,27,35-Pentaamino-3-tetracontanol 	C40H87N5O	653.691062	NA	MeJP	NA	NA
+MetaCyc04012	phytate [phytic acid;myo-inositol hexakisphosphate;1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate;D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate;myo-Inositol 1,2,3,4,5,6-hexakisphosphate;Inositol 1,2,3,4,5,6-hexakisphosphate;InsP6;]	C6H12O24P6	653.81442	NA	metacyc	NA	NA
+3136	ester transferases inhibitor	VTWRMWYVPA	653.8172	MH2+	Inhouse_peptide	NA	peptide
+2973	LVV-hemorphin-7	LVVYPWTQRF	653.844	MH2+	Inhouse_peptide	NA	peptide
+MJ088791	Beticolin 2; 16'-Hydroxy 	C31H23ClO14	654.077633	NA	MeJP	NA	NA
+MJ088792	Beticolin 2; 2-Epimer, 16'-hydroxy 	C31H23ClO14	654.077633	NA	MeJP	NA	NA
+MJ088793	Cebetin A; 16'-Hydroxy 	C31H23ClO14	654.077633	NA	MeJP	NA	NA
+MJ088794	Pentafuhalol A 	C30H22O17	654.085699	NA	MeJP	NA	NA
+MJ088795	Pentafuhalol B 	C30H22O17	654.085699	NA	MeJP	NA	NA
+MJ088796	Pseudopentafuhalol A 	C30H22O17	654.085699	NA	MeJP	NA	NA
+MJ088797	Pseudopentafuhalol B 	C30H22O17	654.085699	NA	MeJP	NA	NA
+MJ088798	Pseudopentafuhalol C 	C30H22O17	654.085699	NA	MeJP	NA	NA
+MJ088799	Pseudopentafuhalol D 	C30H22O17	654.085699	NA	MeJP	NA	NA
+FL3FAGGS0004	Tricetin 7,3'-diglucuronide	C27H26O19	654.10682	107721-49-3	knapsack	NA	NA
+FL3FFCGS0007	8-Hydroxyluteolin 8,4'-diglucuronide	C27H26O19	654.10682	56317-10-3	knapsack	NA	NA
+FL5FACGS0037	Quercetin 3,7-diglucuronide	C27H26O19	654.10682	31564-38-2	knapsack	NA	NA
+MJ088800	3',4',5,5',7-Pentahydroxyflavone; 3',7-Di-O-?-D-glucuronopyranoside 	C27H26O19	654.106828	NA	MeJP	NA	NA
+MJ088801	3',4',5,7,8-Pentahydroxyflavone; 4',8-Di-O-?-D-glucuronopyranoside 	C27H26O19	654.106828	NA	MeJP	NA	NA
+MJ088802	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-O-?-D-glucuronopyranoside 	C27H26O19	654.106828	NA	MeJP	NA	NA
+MJ088803	3,3',4',5,7-Pentahydroxyflavone; 3-O-[3-Hydroxy-4-methoxycinnamoyl-(??)-?-D-glucuronopyranoside] 	C31H26O16	654.122084	NA	MeJP	NA	NA
+PJ012757	SCCCCH 	C21H34N8O8S4	654.1383	NA	PeJP	NA	NA
+FL5FAEGS0003	Tamarixetin 5-glucoside-7-glucuronide	C28H30O18	654.14321	112368-24-8	knapsack	NA	NA
+MJ088804	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 7-O-?-D-Glucuronopyranoside, 5-O-?-D-glucopyranoside 	C28H30O18	654.143214	NA	MeJP	NA	NA
+MJ088805	Ellagic acid; 2,7-Di-Me ether, 3,8-di-O-?-D-glucopyranoside 	C28H30O18	654.143214	NA	MeJP	NA	NA
+MJ088806	Ellagic acid; 3,8-Di-Me ether, 2-O-[?-D-galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C28H30O18	654.143214	NA	MeJP	NA	NA
+PJ012758	PCCCDD 	C22H34N6O11S3	654.1448	NA	PeJP	NA	NA
+MJ088807	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[3,4-Dihydroxycinnamoyl-(?2)-4-O-acetyl-?-D-glucopyranoside] 	C32H30O15	654.15847	NA	MeJP	NA	NA
+MJ088808	3',5,7-Trihydroxy-4',6-dimethoxyflavone; 7-O-[6-[3-3,4-Dihydroxycinnamoyl(E)-]-?-D-glucopyranoside] 	C32H30O15	654.15847	NA	MeJP	NA	NA
+MJ088809	3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(?2)-?-D-glucopyranoside] 	C32H30O15	654.15847	NA	MeJP	NA	NA
+MJ088810	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C32H30O15	654.15847	NA	MeJP	NA	NA
+MJ088811	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(1??)-?-D-glucopyranoside] 	C32H31O15(+)	654.15847	NA	MeJP	NA	NA
+FL1C3CGS0022	Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)	C32H30O15	654.15847	142628-30-6	knapsack	NA	NA
+FL5FFAGS0028	Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside);5,8-Dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C32H30O15	654.15847	190328-85-9	knapsack	NA	NA
+C14863	2-(S-Glutathionyl)acetyl glutathione	C22H34N6O13S2	654.1625	NA	KEGG	NA	NA
+PJ012759	GCDDDM 	C22H34N6O13S2	654.1626	NA	PeJP	NA	NA
+MJ088812	Oxanthromicin 	C36H30O12	654.173726	NA	MeJP	NA	NA
+PJ012760	SCCNND 	C21H34N8O12S2	654.1738	NA	PeJP	NA	NA
+PJ012761	CCDEW 	C26H34N6O10S2	654.1778	NA	PeJP	NA	NA
+FL3FAICS0005	6,8-Di-C-glucopyranosyltricin	C29H34O17	654.17959	79504-25-9	knapsack	NA	NA
+FL3FAIDS0001	Isopyrenin 7-O-glucoside	C29H34O17	654.17959	61252-86-6	knapsack	NA	NA
+FL3FAIGS0009	Tricin 5,7-diglucoside	C29H34O17	654.17959	74336-88-2	knapsack	NA	NA
+FL3FEGGS0003	6-Hydroxytricetin 6,3',5'-trimethyl eter 7-alpha-L-arabinosyl-(1->6)-glucoside;7-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C29H34O17	654.17959	221269-70-1	knapsack	NA	NA
+FL5FAFGL0003	Dillenetin 3,7-diglucoside;Quercetin 3',4'-dimethyl ether 3,7-diglucoside;2-(3,4-Dimethoxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C29H34O17	654.17959	141852-52-0	knapsack	NA	NA
+FL5FAIGL0002	Syringetin 3-rutinoside	C29H34O17	654.17959	53430-50-5	knapsack	NA	NA
+FL5FAIGS0005	Syringetin 3-robinobioside;Myricetin 3',5'-dimethyl ether 3-robinobioside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C29H34O17	654.17959	220504-94-9	knapsack	NA	NA
+FL5FCDGA0002	Rhamnazin 3-galactoside-4'-glucoside	C29H34O17	654.17959	106009-50-1	knapsack	NA	NA
+FL5FFCGL0012	Limocitrin 3-rutinoside	C29H34O17	654.17959	79384-27-3	knapsack	NA	NA
+FL5FFCGS0018	Limocitrin 7-neohesperidoside	C29H34O17	654.17959	97744-91-7	knapsack	NA	NA
+FLIAECGS0005	Iristectorigenin A 7-O-gentiobioside	C29H34O17	654.17959	86849-71-0	knapsack	NA	NA
+MJ088813	3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6-Tri-Me ether, 7-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088814	3',4',5,6,7-Pentahydroxyisoflavone; 4',6-Di-Me ether, 7-O-gentiobioside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088815	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088816	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088817	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088818	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088819	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088820	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3,4'-Di-O-?-D-glucopyranoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088821	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-?-D-Galactopyranoside, 4'-O-?-D-glucopyranoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088822	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-(Glucosylgalactoside) 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088823	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-Diglucoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088824	3,4',5-Trihydroxy-6,7-dimethoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088825	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088826	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 4',7-Di-O-?-D-glucopyranoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088827	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 5,7-Di-O-?-D-glucopyranoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088828	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 5-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088829	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088830	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[D-Fructosyl-(1??)-D-glucopyranoside] 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088831	6,8-Diglucopyranosyl-3',4',5,5',7-pentahydroxyflavone; 3',5'-Di-Me ether 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088832	Isoaffinetin; 3',5'-Di-Me ether, 7-O-?-D-glucopyranoside 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088833	Rutin; 7-O-(2-Hydroxyethyl) 	C29H34O17	654.179599	NA	MeJP	NA	NA
+MJ088834	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3,5-Di-O-?-D-glucopyranoside 	C29H35O17(+)	654.179599	NA	MeJP	NA	NA
+MJ088835	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3,7-Di-O-?-D-glucopyranoside 	C29H35O17(+)	654.179599	NA	MeJP	NA	NA
+MJ088836	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C29H35O17(+)	654.179599	NA	MeJP	NA	NA
+MJ088837	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C29H35O17(+)	654.179599	NA	MeJP	NA	NA
+PJ012762	SSCDDE 	C22H34N6O15S	654.1803	NA	PeJP	NA	NA
+PJ012763	SPCCDM 	C23H38N6O10S3	654.1812	NA	PeJP	NA	NA
+MJ088838	Terephtyl 	C32H30N8O4S2	654.183142	NA	MeJP	NA	NA
+PJ012764	GCCNQM 	C22H38N8O9S3	654.1924	NA	PeJP	NA	NA
+MJ088839	Haedoxan A 	C33H34O14	654.194855	NA	MeJP	NA	NA
+PJ012765	GSDDMM 	C23H38N6O12S2	654.1989	NA	PeJP	NA	NA
+PJ012766	APCCMM 	C24H42N6O7S4	654.1998	NA	PeJP	NA	NA
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC016	Paracétamol glucuronide	C15H17O8	654.2028	RT4.2	HMDB	NA	NA
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	Inhouse_PFEM	NA	NA
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC016	Paracetamol glucuronide	C15H17O8	654.2028	RT4.2	PFEM_hmdb_metabocards_official	NA	NA
+PJ012767	GCCCNR 	C21H38N10O8S3	654.2037	NA	PeJP	NA	NA
+MJ088840	Phleichrome; 14,21-Diepimer, 14-O-benzoyl 	C37H34O11	654.210111	NA	MeJP	NA	NA
+PJ012768	SSCNNM 	C22H38N8O11S2	654.2102	NA	PeJP	NA	NA
+MJ088841	Nikkomycin JH 	C26H34N6O14	654.213299	NA	MeJP	NA	NA
+PJ012769	NDDEY 	C26H34N6O14	654.2133	NA	PeJP	NA	NA
+PJ012770	SCEMW 	C27H38N6O9S2	654.2142	NA	PeJP	NA	NA
+MJ088842	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088843	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3,4-dihydroxycinnamoyl-(?3)-?-L-rhamnopyranoside] 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088844	Betonyoside B 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088845	Campneoside I 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088846	Catalpol; 10-O-(4-Hydroxy-E-cinnamoyl), 6-O-?-L-rhamnopyranoside 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088847	Catalpol; 6'-O-?-D-Glucopyranosyl, 10-O-E-cinnamoyl 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088848	Catalpol; 6-O-[4-Hydroxycinnamoyl-(?2)-?-L-rhamnopyranoside] 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088849	Crenulatin 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088850	Dermochrysonol; 2'-Ketone, 8-O[-?-D-glucopyranosyl(1?6)-?-D-glucopyranoside] 	C30H38O16	654.215985	NA	MeJP	NA	NA
+MJ088851	Monomelittoside; 5-O-?-D-Glucopyranoside, 10-O-cinnamoyl (E-) 	C30H38O16	654.215985	NA	MeJP	NA	NA
+PJ012771	SSSDEM 	C23H38N6O14S	654.2167	NA	PeJP	NA	NA
+PJ012772	NEMMM 	C24H42N6O9S3	654.2176	NA	PeJP	NA	NA
+PJ012773	GSCDHH 	C24H34N10O10S	654.218	NA	PeJP	NA	NA
+MJ088852	Citbismine A; N10'-Me 	C36H34N2O10	654.221345	NA	MeJP	NA	NA
+MJ088853	Citbismine B; 6-Deoxy, O5-de-Me, N10'-Me 	C36H34N2O10	654.221345	NA	MeJP	NA	NA
+PJ012774	GPDDDH 	C25H34N8O13	654.2246	NA	PeJP	NA	NA
+PJ012775	GSSSSCQ 	C22H38N8O13S	654.2279	NA	PeJP	NA	NA
+PJ012776	GDDYW 	C30H34N6O11	654.2286	NA	PeJP	NA	NA
+PJ012777	CDMMR 	C23H42N8O8S3	654.2288	NA	PeJP	NA	NA
+PJ012778	PCCFW 	C31H38N6O6S2	654.2294	NA	PeJP	NA	NA
+PJ012779	NDEMF 	C27H38N6O11S	654.2319	NA	PeJP	NA	NA
+PJ012780	GSPCEY 	C27H38N6O11S	654.232	NA	PeJP	NA	NA
+PJ012781	GMMMW 	C28H42N6O6S3	654.2328	NA	PeJP	NA	NA
+PJ012782	GSTEMM 	C24H42N6O11S2	654.2353	NA	PeJP	NA	NA
+PJ012783	CQMHH 	C25H38N10O7S2	654.2367	NA	PeJP	NA	NA
+PJ012784	NNNMY 	C26H38N8O10S	654.2432	NA	PeJP	NA	NA
+PJ012785	SSSSSSN 	C22H38N8O15	654.2457	NA	PeJP	NA	NA
+MJ088854	12-Hydroxydaphnetoxin; 12?-form, 12-(5-Phenyl-2E,4E-pentadienoyl) 	C38H38O10	654.246497	NA	MeJP	NA	NA
+MJ088855	Grecomycin 	C38H38O10	654.246497	NA	MeJP	NA	NA
+C09134	Mezerein	C38H38O10	654.2465	NA	KEGG	NA	NA
+PJ012786	SSCCQK 	C23H42N8O10S2	654.2466	NA	PeJP	NA	NA
+PJ012787	SPCYW 	C31H38N6O8S	654.2472	NA	PeJP	NA	NA
+PJ012788	CCHHR 	C24H38N12O6S2	654.2479	NA	PeJP	NA	NA
+PJ012789	SQEEY 	C27H38N6O13	654.2497	NA	PeJP	NA	NA
+PJ012790	STMMW 	C28H42N6O8S2	654.2506	NA	PeJP	NA	NA
+MJ088856	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C31H42O15	654.25237	NA	MeJP	NA	NA
+MJ088857	4,4',5,7-Tetrahydroxy-6,8-dimethylflavan; 4,4'-Di-Me ether, 5,7-di-O-?-D-glucopyranoside 	C31H42O15	654.25237	NA	MeJP	NA	NA
+FL64DBGM0001	Eruberin C	C31H42O15	654.25237	90146-70-6	knapsack	NA	NA
+PJ012791	SSTTEM 	C24H42N6O13S	654.2531	NA	PeJP	NA	NA
+PJ012792	DKMMM 	C25H46N6O8S3	654.2539	NA	PeJP	NA	NA
+PJ012793	GSVMMM 	C25H46N6O8S3	654.254	NA	PeJP	NA	NA
+PJ012794	GSSMHH 	C25H38N10O9S	654.2544	NA	PeJP	NA	NA
+PJ012795	SDDRY 	C26H38N8O12	654.2609	NA	PeJP	NA	NA
+PJ012796	GGGGGSTY 	C26H38N8O12	654.261	NA	PeJP	NA	NA
+PJ012797	APPCMH 	C27H42N8O7S2	654.2618	NA	PeJP	NA	NA
+PJ012798	GSSSSCK 	C23H42N8O12S	654.2643	NA	PeJP	NA	NA
+PJ012799	GTEYW 	C31H38N6O10	654.265	NA	PeJP	NA	NA
+PJ012800	SMMMR 	C24H46N8O7S3	654.2652	NA	PeJP	NA	NA
+MJ088858	Agrimols; Agrimol D 	C35H42O12	654.267626	NA	MeJP	NA	NA
+MJ088859	Filixic acids; Filixic acid PBB 	C35H42O12	654.267626	NA	MeJP	NA	NA
+MJ088860	Karajinone B; 15-Ac 	C35H42O12	654.267626	NA	MeJP	NA	NA
+MJ088861	Perdeacyldecipinone; 5-Benzoyl, 3,7,13,15-tetra-Ac 	C35H42O12	654.267626	NA	MeJP	NA	NA
+MJ088862	Perdeacyldecipinone; 5-Benzoyl, 3,7,13,17-tetra-Ac 	C35H42O12	654.267626	NA	MeJP	NA	NA
+MJ088863	Trisdesaspidins; Trisdesaspidin BBB 	C35H42O12	654.267626	NA	MeJP	NA	NA
+MJ088864	Trisflavaspidic acid 	C35H42O12	654.267626	NA	MeJP	NA	NA
+PJ012801	VNEMY 	C28H42N6O10S	654.2683	NA	PeJP	NA	NA
+MJ088865	Coproporphyrin I 	C36H38N4O8	654.268964	NA	MeJP	NA	NA
+MetaCyc04013	coproporphyrin I []	C36H38N4O8	654.268964	531-14-6	metacyc	NA	NA
+MetaCyc04014	coproporphyrin III []	C36H38N4O8	654.268964	14643-66-4	metacyc	NA	NA
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00643	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00570	Coproporphyrin III	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00570	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00643	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00643	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00643	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00570	Coproporphyrin III	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00570	HMDB	NA	NA
+HMDB00611	Coproporphyrin II	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00611	HMDB	NA	NA
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00643	HMDB	NA	NA
+HMDB00644	Coproporphyrin IV	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00644	HMDB	NA	NA
+HMDB00697	Isocoproporphyrin	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00697	HMDB	NA	NA
+HMDB00890	Uroporphyrin IV	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00890	HMDB	NA	NA
+HMDB00570	Coproporphyrin III	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00570	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	http://www.hmdb.ca/metabolites/HMDB00643	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00570	Coproporphyrin III	C36H38N4O8	654.26898	HMDB00570	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00611	Coproporphyrin II	C36H38N4O8	654.26898	HMDB00611	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.26898	HMDB00643	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00644	Coproporphyrin IV	C36H38N4O8	654.26898	HMDB00644	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00697	Isocoproporphyrin	C36H38N4O8	654.26898	HMDB00697	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00890	Uroporphyrin IV	C36H38N4O8	654.26898	HMDB00890	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00570	Coproporphyrin III	C36H38N4O8	654.268982	NA	HMDB2010	NA	NA
+HMDB00611	Coproporphyrin II	C36H38N4O8	654.268982	NA	HMDB2010	NA	NA
+HMDB00643	Coproporphyrin I	C36H38N4O8	654.268982	NA	HMDB2010	NA	NA
+HMDB00644	Coproporphyrin IV	C36H38N4O8	654.268982	NA	HMDB2010	NA	NA
+HMDB00697	Isocoproporphyrin	C36H38N4O8	654.268982	NA	HMDB2010	NA	NA
+C05769	Coproporphyrin I	C36H38N4O8	654.269	NA	KEGG	NA	NA
+C05770	Coproporphyrin III	C36H38N4O8	654.269	NA	KEGG	NA	NA
+PJ012802	FYYY 	C36H38N4O8	654.269	NA	PeJP	NA	NA
+MJ088866	Cryptophycin 18; 7?,8?-Epoxide 	C35H43ClN2O8	654.270794	NA	MeJP	NA	NA
+MJ088867	Cryptophycin 4; 6'-Chloro, 7R*,8R*-epoxide 	C35H43ClN2O8	654.270794	NA	MeJP	NA	NA
+PJ012803	SSSLMM 	C25H46N6O10S2	654.2717	NA	PeJP	NA	NA
+PJ012804	SSSTHH 	C25H38N10O11	654.2722	NA	PeJP	NA	NA
+PJ012805	CKMHH 	C26H42N10O6S2	654.273	NA	PeJP	NA	NA
+PJ012806	SPEHW 	C30H38N8O9	654.2762	NA	PeJP	NA	NA
+PJ012807	GEMRY 	C27H42N8O9S	654.2796	NA	PeJP	NA	NA
+PJ012808	TYWW 	C35H38N6O7	654.2802	NA	PeJP	NA	NA
+PJ012809	SSCCKK 	C24H46N8O9S2	654.2829	NA	PeJP	NA	NA
+PJ012810	NNDHR 	C24H38N12O10	654.2834	NA	PeJP	NA	NA
+PJ012811	GVMYW 	C32H42N6O7S	654.2836	NA	PeJP	NA	NA
+PJ012812	SKEEY 	C28H42N6O12	654.2861	NA	PeJP	NA	NA
+PJ012813	VQMMF 	C29H46N6O7S2	654.287	NA	PeJP	NA	NA
+PJ012814	GQQHW 	C29H38N10O8	654.2874	NA	PeJP	NA	NA
+PJ012815	GGGAAHW 	C29H38N10O8	654.2875	NA	PeJP	NA	NA
+MJ088868	Secoisolariciresinol, 4,4'-Di-O-?-L-rhamnopyranoside 	C32H46O14	654.288756	NA	MeJP	NA	NA
+PJ012816	TTTTTM 	C25H46N6O12S	654.2895	NA	PeJP	NA	NA
+PJ012817	PDMHR 	C26H42N10O8S	654.2908	NA	PeJP	NA	NA
+MJ088869	Fastrine 	C38H42N2O8	654.294116	NA	MeJP	NA	NA
+MJ088870	Thalibrunine; 2'-N-De-Me 	C38H42N2O8	654.294116	NA	MeJP	NA	NA
+MJ088871	Thalifaberine; O3,O6',O9-Tri-de-Me 	C38H42N2O8	654.294116	NA	MeJP	NA	NA
+MJ088872	Thalisopine; N2'-Oxide (?) 	C38H42N2O8	654.294116	NA	MeJP	NA	NA
+PJ012818	MRYW 	C31H42N8O6S	654.2948	NA	PeJP	NA	NA
+PJ012819	STERY 	C27H42N8O11	654.2973	NA	PeJP	NA	NA
+PJ012820	GGGAAPPE 	C27H42N8O11	654.2974	NA	PeJP	NA	NA
+PJ012821	AMMFR 	C28H46N8O6S2	654.2982	NA	PeJP	NA	NA
+PJ012822	PQHHH 	C28H38N12O7	654.2987	NA	PeJP	NA	NA
+PJ012823	SSLYW 	C32H42N6O9	654.3013	NA	PeJP	NA	NA
+MJ088873	Stellarin C 	C32H42N6O9	654.301326	NA	MeJP	NA	NA
+PJ012824	GGPVYY 	C32H42N6O9	654.3014	NA	PeJP	NA	NA
+MJ088874	Euphorrepinol; 15-Benzoyl, 7-tigloyl, 3,5-di-Ac 	C36H46O11	654.304012	NA	MeJP	NA	NA
+MJ088875	Neobonaspectin A 	C36H46O11	654.304012	NA	MeJP	NA	NA
+MJ088876	Ohchinolal; 3-Ac 	C36H46O11	654.304012	NA	MeJP	NA	NA
+MJ088877	Aeruginosin 98A; 3'-Dechloro 	C29H46N6O9S	654.304697	NA	MeJP	NA	NA
+PJ012825	VDKMY 	C29H46N6O9S	654.3047	NA	PeJP	NA	NA
+MJ088878	Cimiciphytine 	C37H42N4O7	654.305349	NA	MeJP	NA	NA
+PJ012826	VDEHR 	C26H42N10O10	654.3086	NA	PeJP	NA	NA
+PJ012827	ALEHW 	C31H42N8O8	654.3126	NA	PeJP	NA	NA
+MJ088879	Lycaconitine; O1-De-Me 	C35H46N2O10	654.315245	NA	MeJP	NA	NA
+PJ012828	SVMRY 	C28H46N8O8S	654.3159	NA	PeJP	NA	NA
+PJ012829	GGCKKY 	C28H46N8O8S	654.316	NA	PeJP	NA	NA
+PJ012830	GVFFW 	C36H42N6O6	654.3166	NA	PeJP	NA	NA
+MJ088880	3,5,9,15-Tetrahydroxy-6(17),11-jatrophadien-14-one, 3,9-Dicinnamoyl, 5-Ac 	C40H46O8	654.319268	NA	MeJP	NA	NA
+PJ012831	SQQHR 	C25H42N12O9	654.3198	NA	PeJP	NA	NA
+PJ012832	GTTTLY 	C29H46N6O11	654.3225	NA	PeJP	NA	NA
+PJ012833	VKMMF 	C30H50N6O6S2	654.3233	NA	PeJP	NA	NA
+PJ012834	GQKHW 	C30H42N10O7	654.3238	NA	PeJP	NA	NA
+MJ088881	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-ribopyranoside] 	C33H50O13	654.325141	NA	MeJP	NA	NA
+2808	PEP inhibitor	MTPPLP	654.3274	NA	Inhouse_peptide	NA	peptide
+PJ012835	FFRW 	C35H42N8O5	654.3278	NA	PeJP	NA	NA
+MJ088882	Dauricine; Me ether, 2'-N-Oxide 	C39H46N2O7	654.330501	NA	MeJP	NA	NA
+MJ088883	Dauricine; Me ether, 2-N-Oxide 	C39H46N2O7	654.330501	NA	MeJP	NA	NA
+MJ088884	Thalirugine; 7-O-Me ether 	C39H46N2O7	654.330501	NA	MeJP	NA	NA
+PJ012836	LKEEH 	C28H46N8O10	654.3337	NA	PeJP	NA	NA
+PJ012837	PKHHH 	C29H42N12O6	654.3351	NA	PeJP	NA	NA
+PJ012838	PTKFY 	C33H46N6O8	654.3377	NA	PeJP	NA	NA
+MJ088885	Rubellidin 3.1 	C33H46N6O8	654.337712	NA	MeJP	NA	NA
+MJ088886	Kraussianin 	C37H50O10	654.340397	NA	MeJP	NA	NA
+PJ012839	TLKMY 	C30H50N6O8S	654.3411	NA	PeJP	NA	NA
+PJ012840	TLEHR 	C27H46N10O9	654.3449	NA	PeJP	NA	NA
+PJ012841	GPPTQR 	C27H46N10O9	654.345	NA	PeJP	NA	NA
+PJ012842	SLLHW 	C32H46N8O7	654.349	NA	PeJP	NA	NA
+MJ088887	Ansatrienin B; 4''-Hydroxy 	C36H50N2O9	654.351631	NA	MeJP	NA	NA
+PJ012843	AVCLLH 	C29H50N8O7S	654.3523	NA	PeJP	NA	NA
+PJ012844	AALLMH 	C29H50N8O7S	654.3524	NA	PeJP	NA	NA
+PJ012845	SQKHR 	C26H46N12O8	654.3562	NA	PeJP	NA	NA
+MJ088888	Allodesmosine 	C30H51N6O10(+)	654.358841	NA	MeJP	NA	NA
+PJ012846	SPPLLE 	C30H50N6O10	654.3589	NA	PeJP	NA	NA
+PJ012847	GKKHW 	C31H46N10O6	654.3602	NA	PeJP	NA	NA
+PJ012848	VLMHR 	C28H50N10O6S	654.3636	NA	PeJP	NA	NA
+PJ012849	ATTLLH 	C29H50N8O9	654.3701	NA	PeJP	NA	NA
+PJ012850	VVKFY 	C34H50N6O7	654.3741	NA	PeJP	NA	NA
+MJ088889	Antibiotic VM 44866; 22-Deoxy, 13?-(2-methylpropanoyloxy) 	C38H54O9	654.376783	NA	MeJP	NA	NA
+PJ012851	PPVVLM 	C31H54N6O7S	654.3775	NA	PeJP	NA	NA
+PJ012852	GPPTKR 	C28H50N10O8	654.3813	NA	PeJP	NA	NA
+C04216	all-trans-Heptaprenyl diphosphate	C35H60O7P2	654.3814	NA	KEGG	NA	NA
+C17436	di-trans,poly-cis-Heptaprenyl diphosphate	C35H60O7P2	654.3814	NA	KEGG	NA	NA
+HMDB12187	All-trans-heptaprenyl diphosphate	C35H60O7P2	654.381409	NA	HMDB2010	NA	NA
+MetaCyc04015	all-trans-heptaprenyl diphosphate []	C35H60O7P2	654.381427	NA	metacyc	NA	NA
+PJ012853	PPKKW 	C33H50N8O6	654.3854	NA	PeJP	NA	NA
+MJ088890	34-Ethylhuratoxin; 6,7-Deepoxy, 6-hydroxy, 7-chloro, 15,16,22,23,24,25-hexahydro 	C36H59ClO8	654.389846	NA	MeJP	NA	NA
+MJ088891	Bispuupehenone 	C42H54O6	654.392039	NA	MeJP	NA	NA
+MJ088892	Dipuupehetriol 	C42H54O6	654.392039	NA	MeJP	NA	NA
+MJ088893	Isopopopolohuanone E 	C42H54O6	654.392039	NA	MeJP	NA	NA
+MJ088894	Popolohuanone E 	C42H54O6	654.392039	NA	MeJP	NA	NA
+PJ012854	PVQRR 	C27H50N12O7	654.3926	NA	PeJP	NA	NA
+PJ012855	APLLLE 	C31H54N6O9	654.3953	NA	PeJP	NA	NA
+MJ088895	Filipin; Filipin III 	C35H58O11	654.397912	NA	MeJP	NA	NA
+PJ012856	APRRR 	C26H50N14O6	654.4038	NA	PeJP	NA	NA
+PJ012857	SPPVKK 	C30H54N8O8	654.4065	NA	PeJP	NA	NA
+PJ012858	AAPLKR 	C29H54N10O7	654.4177	NA	PeJP	NA	NA
+PJ012859	PVKRR 	C28H54N12O6	654.429	NA	PeJP	NA	NA
+MJ088896	Dexamethasone; 21-(9,12-Octadecadienoyl) 	C40H59FO6	654.429567	NA	MeJP	NA	NA
+PJ012860	SPLLLL 	C32H58N6O8	654.4316	NA	PeJP	NA	NA
+MJ088897	20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088898	20,24-Epoxydammarane-3,12-25,30-tetrol, 3-O-?-D-Glycopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088899	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088900	20,25-Epoxydammarane-3,6,12,24-tetrol, 6-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088901	Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088902	Cumingianoside G 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088903	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088904	Dammar-22-ene-3,6,12,20,25-pentol, 6-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088905	Dammar-23-ene-1,2,3,20,25-pentol, 3-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088906	Dammar-24-ene-1,3,12,20,26-pentol, 20-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088907	Dammar-24-ene-3,6,20,21,26-pentol, 26-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088908	Dammar-24-ene-3,7,18,20,26-pentol, 20-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088909	Dammar-25-ene-1,2,3,20,24-pentol, 3-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088910	Dammar-25-ene-3,6,12,20,24-pentol, 20-O-?-D-Glucopyranoside 	C36H62O10	654.434298	NA	MeJP	NA	NA
+MJ088911	Monensin; Monensin A, 26-Deoxy 	C36H62O10	654.434298	NA	MeJP	NA	NA
+PJ012861	GPLLKK 	C31H58N8O7	654.4429	NA	PeJP	NA	NA
+MJ088912	12-Oleanene-3,16,21,22,28-pentol, 21,22-Diangeloyl 	C40H62O7	654.449554	NA	MeJP	NA	NA
+MJ088913	14,14'-Oxybis[8-angeloyloxythapsane] 	C40H62O7	654.449554	NA	MeJP	NA	NA
+MJ088914	9-Hydroxy-3-methyl-2-decenoic acid, O-(5Z,9Z-Tetracosadienoyl), 2-sulfoethyl ester 	C37H66O7S	654.452925	NA	MeJP	NA	NA
+PJ012862	ALLLLL 	C33H62N6O7	654.468	NA	PeJP	NA	NA
+MJ088915	Donnaienin C 	C37H66O9	654.470683	NA	MeJP	NA	NA
+MJ088916	Topostin D654 	C37H70N2O7	654.518302	NA	MeJP	NA	NA
+MJ088917	2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MJ088918	20-Hydroxy-4,12,23,27,43-hexatetracontapentaene-1,18,21,45-tetrayn-3-one; 23,24,43,44-Tetrahydro 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MJ088919	4,17,21,27-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MJ088920	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MJ088921	Petroformyne 1; 23,24,42,43-Tetrahydro, 44-deoxy, 20-ketone 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MJ088922	Petroformyne 1; 23,24-Dihydro, 44-deoxy, ?43-isomer 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MJ088923	Petroformyne 1; 42,43-Dihydro, 44-deoxy 	C46H70O2	654.537581	NA	MeJP	NA	NA
+MetaCyc04016	2-octaprenyl-6-hydroxyphenol []	C46H70O2	654.537581	NA	metacyc	NA	NA
+C05811	2-Octaprenyl-6-hydroxyphenol	C46H70O2	654.5376	NA	KEGG	NA	NA
+MJ088924	5,7-Dihydroxy-2-tritriacontyl-4H-1-benzopyran-4-one; 7-Me ether 	C43H74O4	654.55871	NA	MeJP	NA	NA
+PJ012863	SCCNDD 	C21H33N7O13S2	655.1578	NA	PeJP	NA	NA
+PJ012864	PCCCCQ 	C22H37N7O8S4	655.1587	NA	PeJP	NA	NA
+FL7AAIGL0013	Malvidin 3-(6''-p-caffeyglucoside)	C32H31O15	655.16629	129016-23-5<BR>68795-36-8	knapsack	NA	NA
+MJ088925	Geodiamolide G 	C28H38IN3O7	655.175444	NA	MeJP	NA	NA
+PJ012865	GCCNEM 	C22H37N7O10S3	655.1764	NA	PeJP	NA	NA
+C08718	Malvin	C29H35O17	655.1874	NA	KEGG	NA	NA
+FL7AAIGL0002	Malvidin 3-diglucoside	C29H35O17	655.18742	67286-40-2	knapsack	NA	NA
+FL7AAIGL0003	Malvidin 3-laminaribioside	C29H35O17	655.18742	55463-07-5	knapsack	NA	NA
+FL7AAIGL0004	Malvidin 3-gentiobiside	C29H35O17	655.18742	-	knapsack	NA	NA
+FL7AAIGL0006	Malvidin 3,7-diglucoside	C29H35O17	655.18742	96407-95-3	knapsack	NA	NA
+FL7AAIGS0001	Malvin;Malvidin 3,5-diglucoside;Malvidin diglucoside	C29H35O17	655.18742	16727-30-3	knapsack	NA	NA
+PJ012866	GCCCDR 	C21H37N9O9S3	655.1877	NA	PeJP	NA	NA
+PJ012867	CCNMW 	C26H37N7O7S3	655.1917	NA	PeJP	NA	NA
+PJ012868	SSCNDM 	C22H37N7O12S2	655.1942	NA	PeJP	NA	NA
+PJ012869	PCCCCK 	C23H41N7O7S4	655.1951	NA	PeJP	NA	NA
+PJ012870	DDDEY 	C26H33N5O15	655.1973	NA	PeJP	NA	NA
+MJ088926	Exfoliatin 	C27H40ClO16	655.200487	NA	MeJP	NA	NA
+PJ012871	DEMMM 	C24H41N5O10S3	655.2016	NA	PeJP	NA	NA
+PJ012872	GSTCCW 	C26H37N7O9S2	655.2094	NA	PeJP	NA	NA
+MJ088927	Neosiphoniamolide A 	C29H42IN3O6	655.211829	NA	MeJP	NA	NA
+PJ012873	GSSSSCE 	C22H37N7O14S	655.2119	NA	PeJP	NA	NA
+PJ012874	GSCQMM 	C23H41N7O9S3	655.2128	NA	PeJP	NA	NA
+PJ012875	DDEMF 	C27H37N5O12S	655.216	NA	PeJP	NA	NA
+PJ012876	CEMHH 	C25H37N9O8S2	655.2207	NA	PeJP	NA	NA
+PJ012877	GSCCMR 	C22H41N9O8S3	655.2241	NA	PeJP	NA	NA
+PJ012878	CCHFF 	C30H37N7O6S2	655.2247	NA	PeJP	NA	NA
+PJ012879	SSSSCW 	C26H37N7O11S	655.2272	NA	PeJP	NA	NA
+PJ012880	SSSSSSD 	C22H37N7O16	655.2297	NA	PeJP	NA	NA
+PJ012881	SSSNMM 	C23H41N7O11S2	655.2306	NA	PeJP	NA	NA
+PJ012882	SEEEY 	C27H37N5O14	655.2337	NA	PeJP	NA	NA
+PJ012883	PDMMY 	C28H41N5O9S2	655.2346	NA	PeJP	NA	NA
+PJ012884	GPCNEH 	C25H37N9O10S	655.2384	NA	PeJP	NA	NA
+PJ012885	SSTCCR 	C22H41N9O10S2	655.2418	NA	PeJP	NA	NA
+PJ012886	SCNFW 	C30H37N7O8S	655.2424	NA	PeJP	NA	NA
+PJ012887	GCQYW 	C30H37N7O8S	655.2425	NA	PeJP	NA	NA
+PJ012888	GSSNEY 	C26H37N7O13	655.245	NA	PeJP	NA	NA
+PJ012889	NNMMF 	C27H41N7O8S2	655.2458	NA	PeJP	NA	NA
+PJ012890	GSSSSTM 	C23H41N7O13S	655.2483	NA	PeJP	NA	NA
+PJ012891	PDDFY 	C31H37N5O11	655.249	NA	PeJP	NA	NA
+PJ012892	GSCKMM 	C24H45N7O8S3	655.2492	NA	PeJP	NA	NA
+PJ012893	VDEMY 	C28H41N5O11S	655.2524	NA	PeJP	NA	NA
+PJ012894	PMMMF 	C29H45N5O6S3	655.2532	NA	PeJP	NA	NA
+PJ012895	PCNHW 	C29H37N9O7S	655.2537	NA	PeJP	NA	NA
+PJ012896	NQEEH 	C25H37N9O12	655.2562	NA	PeJP	NA	NA
+PJ012897	LMMMM 	C26H49N5O6S4	655.2566	NA	PeJP	NA	NA
+PJ012898	CCQFR 	C26H41N9O7S2	655.2571	NA	PeJP	NA	NA
+PJ012899	SSNYW 	C30H37N7O10	655.2602	NA	PeJP	NA	NA
+PJ012900	SQQMY 	C27H41N7O10S	655.2636	NA	PeJP	NA	NA
+PJ012901	SSSSSTT 	C23H41N7O15	655.2661	NA	PeJP	NA	NA
+PJ012902	SSTCKM 	C24H45N7O10S2	655.2669	NA	PeJP	NA	NA
+PJ012903	TTTCCK 	C24H45N7O10S2	655.267	NA	PeJP	NA	NA
+PJ012904	NDDHR 	C24H37N11O11	655.2674	NA	PeJP	NA	NA
+PJ012905	GGGGGGASH 	C24H37N11O11	655.2675	NA	PeJP	NA	NA
+PJ012906	PDMFF 	C32H41N5O8S	655.2676	NA	PeJP	NA	NA
+PJ012907	VEMMF 	C29H45N5O8S2	655.271	NA	PeJP	NA	NA
+PJ012908	SEHHF 	C29H37N9O9	655.2714	NA	PeJP	NA	NA
+PJ012909	GQEHW 	C29H37N9O9	655.2715	NA	PeJP	NA	NA
+PJ012910	SCQRY 	C26H41N9O9S	655.2748	NA	PeJP	NA	NA
+PJ012911	GCKYW 	C31H41N7O7S	655.2788	NA	PeJP	NA	NA
+PJ012912	GPPPCW 	C31H41N7O7S	655.2789	NA	PeJP	NA	NA
+PJ012913	GSSDKY 	C27H41N7O12	655.2813	NA	PeJP	NA	NA
+PJ012914	GPPQEE 	C27H41N7O12	655.2814	NA	PeJP	NA	NA
+PJ012915	CQKMF 	C28H45N7O7S2	655.2822	NA	PeJP	NA	NA
+PJ012916	PEHHH 	C28H37N11O8	655.2827	NA	PeJP	NA	NA
+2843	orphanin FQ/nociceptin peptide [FQ/N (1-7)]	FGGFTGA	655.283	antibacterial	Inhouse_peptide	NA	peptide
+PJ012917	PVDYY 	C32H41N5O10	655.2854	NA	PeJP	NA	NA
+PJ012918	GSPCHR 	C25H41N11O8S	655.2861	NA	PeJP	NA	NA
+PJ012919	QHWW 	C33H37N9O6	655.2867	NA	PeJP	NA	NA
+PJ012920	TLEMY 	C29H45N5O10S	655.2887	NA	PeJP	NA	NA
+PJ012921	CLHHF 	C30H41N9O6S	655.2901	NA	PeJP	NA	NA
+PJ012922	GSSSRY 	C26H41N9O11	655.2926	NA	PeJP	NA	NA
+PJ012923	CCKFR 	C27H45N9O6S2	655.2934	NA	PeJP	NA	NA
+PJ012924	PPQEW 	C31H41N7O9	655.2966	NA	PeJP	NA	NA
+MJ088928	Rifamycin W 	C35H45NO11	655.299261	NA	MeJP	NA	NA
+C12247	Rifamycin W	C35H45NO11	655.2993	NA	KEGG	NA	NA
+PJ012925	SQKMY 	C28H45N7O9S	655.3	NA	PeJP	NA	NA
+PJ012926	SQEHR 	C25H41N11O10	655.3038	NA	PeJP	NA	NA
+PJ012927	PVMFY 	C33H45N5O7S	655.304	NA	PeJP	NA	NA
+PJ012928	VLMMY 	C30H49N5O7S2	655.3074	NA	PeJP	NA	NA
+PJ012929	GKEHW 	C30H41N9O8	655.3078	NA	PeJP	NA	NA
+PJ012930	SCKRY 	C27H45N9O8S	655.3112	NA	PeJP	NA	NA
+PJ012931	APPWW 	C35H41N7O6	655.3119	NA	PeJP	NA	NA
+PJ012932	GSTTKY 	C28H45N7O11	655.3177	NA	PeJP	NA	NA
+PJ012933	CKKMF 	C29H49N7O6S2	655.3186	NA	PeJP	NA	NA
+PJ012934	GTHRW 	C29H41N11O7	655.3191	NA	PeJP	NA	NA
+PJ012935	PTLYY 	C33H45N5O9	655.3217	NA	PeJP	NA	NA
+PJ012936	VVEFY 	C33H45N5O9	655.3218	NA	PeJP	NA	NA
+PJ012937	VNMHR 	C26H45N11O7S	655.3224	NA	PeJP	NA	NA
+PJ012938	GGVMHR 	C26H45N11O7S	655.3225	NA	PeJP	NA	NA
+PJ012939	KHWW 	C34H41N9O5	655.3231	NA	PeJP	NA	NA
+7020	synthetic peptide from alpha-gliadin	AHGRSQVLQQST	655.327	MH2+	Inhouse_peptide	NA	peptide
+PJ012940	GPPTER 	C27H45N9O10	655.329	NA	PeJP	NA	NA
+PJ012941	PPKEW 	C32H45N7O8	655.333	NA	PeJP	NA	NA
+PJ012942	GMHRR 	C25H45N13O6S	655.3337	NA	PeJP	NA	NA
+MJ088929	Streptovaricin U 	C36H49NO10	655.335646	NA	MeJP	NA	NA
+PJ012943	SKKMY 	C29H49N7O8S	655.3363	NA	PeJP	NA	NA
+PJ012944	SPPPKM 	C29H49N7O8S	655.3364	NA	PeJP	NA	NA
+PJ012945	PVFFF 	C37H45N5O6	655.337	NA	PeJP	NA	NA
+PJ012946	SKEHR 	C26H45N11O9	655.3402	NA	PeJP	NA	NA
+PJ012947	VLMFF 	C34H49N5O6S	655.3404	NA	PeJP	NA	NA
+PJ012948	PPTRW 	C31H45N9O7	655.3442	NA	PeJP	NA	NA
+MJ088930	Oxazolomycin 	C35H49N3O9	655.34688	NA	MeJP	NA	NA
+PJ012949	GPPVMR 	C28H49N9O7S	655.3476	NA	PeJP	NA	NA
+PJ012950	STHRR 	C25H45N13O8	655.3514	NA	PeJP	NA	NA
+PJ012951	GGGGPRR 	C25H45N13O8	655.3515	NA	PeJP	NA	NA
+PJ012952	SPPVKE 	C29H49N7O10	655.3541	NA	PeJP	NA	NA
+MJ088931	Polymastiamide A; 4'-Demethoxy 	C37H53NO7S	655.354273	NA	MeJP	NA	NA
+PJ012953	LLHHH 	C30H45N11O6	655.3555	NA	PeJP	NA	NA
+MJ088932	Zygadenine; O3-?-D-Glucoside 	C33H53NO12	655.356776	NA	MeJP	NA	NA
+PJ012954	VVLYY 	C34H49N5O8	655.3581	NA	PeJP	NA	NA
+PJ012955	PPMRR 	C27H49N11O6S	655.3588	NA	PeJP	NA	NA
+3293	bovine kappa-casein fr, 106-111	MAIPPK	655.3594	celiac toxic	Inhouse_peptide	NA	peptide
+PJ012956	SSPPLR 	C28H49N9O9	655.3653	NA	PeJP	NA	NA
+PJ012957	AAPLER 	C28H49N9O9	655.3654	NA	PeJP	NA	NA
+PJ012958	PLLQW 	C33H49N7O7	655.3694	NA	PeJP	NA	NA
+MJ088933	Antibiotic WF 1360E 	C37H53NO9	655.372032	NA	MeJP	NA	NA
+PJ012959	APPLKM 	C30H53N7O7S	655.3727	NA	PeJP	NA	NA
+PJ012960	PPVCLK 	C30H53N7O7S	655.3728	NA	PeJP	NA	NA
+PJ012961	PVERR 	C27H49N11O8	655.3766	NA	PeJP	NA	NA
+PJ012962	PVVRW 	C32H49N9O6	655.3806	NA	PeJP	NA	NA
+PJ012963	LKKMH 	C29H53N9O6S	655.384	NA	PeJP	NA	NA
+PJ012964	GPLLKE 	C30H53N7O9	655.3905	NA	PeJP	NA	NA
+PJ012965	GPTLLR 	C29H53N9O8	655.4017	NA	PeJP	NA	NA
+PJ012966	GGGPLKK 	C29H53N9O8	655.4018	NA	PeJP	NA	NA
+PJ012967	PLLKW 	C34H53N7O6	655.4058	NA	PeJP	NA	NA
+PJ012968	PQKKR 	C28H53N11O7	655.413	NA	PeJP	NA	NA
+C01700	Globomycin	C32H57N5O9	655.4156	NA	KEGG	NA	NA
+MJ088934	Antibiotic SUAM 20012 	C32H57N5O9	655.415628	NA	MeJP	NA	NA
+MJ088935	Globomycin 	C32H57N5O9	655.415628	NA	MeJP	NA	NA
+PJ012969	SPVLLK 	C31H57N7O8	655.4269	NA	PeJP	NA	NA
+PJ012970	AALLLR 	C30H57N9O7	655.4381	NA	PeJP	NA	NA
+MJ088936	Stevastelin B 	C34H61N3O9	655.44078	NA	MeJP	NA	NA
+MJ088937	Stevastelin C3; 13-Ac 	C34H61N3O9	655.44078	NA	MeJP	NA	NA
+PJ012971	VLLRR 	C29H57N11O6	655.4494	NA	PeJP	NA	NA
+8307	ACE inhibitor	KVLILA	655.451	NA  ;SYN:Desiodothyroxine; L-Thyronine; O-(4-Hydroxyphenyl)tyrosine; Thyronine; b-(p-Hydroxyphenoxy)phenylalanine; beta-(p-Hydroxyphenoxy)phenylalanineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ012972	GLLLLK 	C32H61N7O7	655.4633	NA	PeJP	NA	NA
+MJ088938	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-22-methyltricosanoyl) 	C40H81NO5	655.611474	NA	MeJP	NA	NA
+MJ088939	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytetracosanoyl) 	C40H81NO5	655.611474	NA	MeJP	NA	NA
+MJ088940	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxydocosanoyl) 	C40H81NO5	655.611474	NA	MeJP	NA	NA
+MJ088941	2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxy-23-methyltetracosanoyl) 	C40H81NO5	655.611474	NA	MeJP	NA	NA
+MJ088942	2-Amino-1,3,4-pentadecanetriol, N-(2R-Hydroxypentacosanoyl) 	C40H81NO5	655.611474	NA	MeJP	NA	NA
+MJ088943	Chartellamide A 	C20H12Br4N4O2	655.769376	NA	MeJP	NA	NA
+7443	coeliac toxic peptide	YYPTSPQQSGQG	655.7785	MH2+	Inhouse_peptide	NA	peptide
+FL5FFCGS0007	Gossypetin 3-glucuronide-8-glucoside	C27H28O19	656.12247	113541-00-7	knapsack	NA	NA
+MJ088944	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucopyranoside, 8-O-?-D-glucuronopyranoside 	C27H28O19	656.122478	NA	MeJP	NA	NA
+MJ088945	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-?-D-Glucuronopyranoside, 8-O-?-D-glucopyranoside 	C27H28O19	656.122478	NA	MeJP	NA	NA
+MJ088946	Emethallicin A 	C34H28N2O8S2	656.128707	NA	MeJP	NA	NA
+FL5FECGS0051	Quercetagetin 4'-methyl ether 7-(6-(E)-caffeylglucoside)	C31H28O16	656.13773	168293-28-5	knapsack	NA	NA
+MJ088947	3,3',4',5,6,7-Hexahydroxyflavone; 4'-Me ether, 7-O-[3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C31H28O16	656.137734	NA	MeJP	NA	NA
+PJ012973	SCCDDD 	C21H32N6O14S2	656.1418	NA	PeJP	NA	NA
+PJ012974	PCCCCE 	C22H36N6O9S4	656.1427	NA	PeJP	NA	NA
+MJ088948	Teniposide 	C32H32O13S	656.156361	NA	MeJP	NA	NA
+C11153	VM-26	C32H32O13S	656.1564	NA	KEGG	NA	NA
+FL5F4GGS0001	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone 7-neohesperidoside;7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-3,6,8-trihydroxy-4H-1-benzopyran-4-one	C28H32O18	656.15886	163167-40-6	knapsack	NA	NA
+FL5FAHGL0003	Laricitrin 3,5'-diglucoside	C28H32O18	656.15886	89345-43-7	knapsack	NA	NA
+FL5FAJGA0001	Mearnsetin 3-galactosyl-(1->4)-galactoside	C28H32O18	656.15886	73815-16-4	knapsack	NA	NA
+FL5FECGL0004	Patuletin 3-gentiobioside	C28H32O18	656.15886	101021-28-7	knapsack	NA	NA
+FL5FECGL0006	Patuletin 3,7-diglucoside;Quercetagetin 6-methyl ether 3,7-diglucoside;2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one	C28H32O18	656.15886	33530-68-6	knapsack	NA	NA
+FL5FECGS0063	Quercetagetin 7-methyl ether 3-cellobioside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one	C28H32O18	656.15886	235741-64-7	knapsack	NA	NA
+FL5FFCGA0003	Ranupenin 3-galactoside-8-glucoside	C28H32O18	656.15886	67539-53-1	knapsack	NA	NA
+FL5FFCGL0007	Corniculatusin 3,7-diglucoside	C28H32O18	656.15886	111133-92-7	knapsack	NA	NA
+MJ088949	3,3',4',5',6,7,8-Heptahydroxyflavone; 3'-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088950	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088951	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088952	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-D-galactopyranoside] 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088953	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088954	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088955	3,3',4',5,7-Pentahydroxy-8-methoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088956	3,3',4',5,8-Pentahydroxy-7-methoxyflavone; 3-O-D-Galactoside, 8-O-?-D-glucopyranoside 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088957	3,3',5,5',7-Pentahydroxy-4'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] 	C28H32O18	656.158864	NA	MeJP	NA	NA
+MJ088958	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3,5'-Di-O-?-D-glucopyranoside 	C28H32O18	656.158864	NA	MeJP	NA	NA
+PJ012975	GCCDEM 	C22H36N6O11S3	656.1605	NA	PeJP	NA	NA
+PJ012976	SCCCNQ 	C21H36N8O10S3	656.1717	NA	PeJP	NA	NA
+MJ088959	2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-[2-O-4-hydroxy-3-methoxycinnamoyl-?-D-glucopyranoside] 	C32H32O15	656.17412	NA	MeJP	NA	NA
+MJ088960	Ergochromes; Ergochrome AD 	C32H32O15	656.17412	NA	MeJP	NA	NA
+MJ088961	Ergochromes; Ergochrome BD 	C32H32O15	656.17412	NA	MeJP	NA	NA
+PJ012977	CCDMW 	C26H36N6O8S3	656.1757	NA	PeJP	NA	NA
+PJ012978	SSCDDM 	C22H36N6O13S2	656.1782	NA	PeJP	NA	NA
+PJ012979	PTCCCM 	C23H40N6O8S4	656.1791	NA	PeJP	NA	NA
+MJ088962	6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 2,9,12,13,14-Penta-Ac 	C30H37ClO14	656.187183	NA	MeJP	NA	NA
+MJ088963	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5'-Tris(4S,5S-epoxy-2Z-hexenoyl) 	C36H32O12	656.189376	NA	MeJP	NA	NA
+PJ012980	GSSSCCN 	C21H36N8O12S2	656.1894	NA	PeJP	NA	NA
+PJ012981	GPCCDY 	C26H36N6O10S2	656.1935	NA	PeJP	NA	NA
+MJ088964	1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5,7-Penta-Me ether, 1-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O17	656.195249	NA	MeJP	NA	NA
+MJ088965	1,2,3,4,5-Pentahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O17	656.195249	NA	MeJP	NA	NA
+MJ088966	1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,3,4,6-Penta-Me ether, 8-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyanoside] 	C29H36O17	656.195249	NA	MeJP	NA	NA
+MJ088967	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-D-Glucopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C29H36O17	656.195249	NA	MeJP	NA	NA
+C10466	Hellicoside	C29H36O17	656.1953	NA	KEGG	NA	NA
+PJ012982	GSCEMM 	C23H40N6O10S3	656.1968	NA	PeJP	NA	NA
+PJ012983	GCCNNF 	C25H36N8O9S2	656.2047	NA	PeJP	NA	NA
+PJ012984	SCCCNK 	C22H40N8O9S3	656.2081	NA	PeJP	NA	NA
+PJ012985	NDDMY 	C26H36N6O12S	656.2112	NA	PeJP	NA	NA
+PJ012986	SCMMW 	C27H40N6O7S3	656.2121	NA	PeJP	NA	NA
+PJ012987	SSSDMM 	C23H40N6O12S2	656.2146	NA	PeJP	NA	NA
+MJ088968	4-[4-(Carboxymethyl)phenoxy]-1-[1-oxo-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octyl]proline 	C31H36N4O10S	656.215214	NA	MeJP	NA	NA
+PJ012988	NMMMM 	C24H44N6O7S4	656.2154	NA	PeJP	NA	NA
+PJ012989	GGMMMM 	C24H44N6O7S4	656.2155	NA	PeJP	NA	NA
+PJ012990	GTCCHH 	C24H36N10O8S2	656.2159	NA	PeJP	NA	NA
+MJ088969	Oscillatoxin A; 21-Bromo 	C31H45BrO10	656.21961	NA	MeJP	NA	NA
+PJ012991	GSCNNY 	C25H36N8O11S	656.2224	NA	PeJP	NA	NA
+PJ012992	GGGSCNY 	C25H36N8O11S	656.2225	NA	PeJP	NA	NA
+PJ012993	GCEYW 	C30H36N6O9S	656.2265	NA	PeJP	NA	NA
+PJ012994	GSSDEY 	C26H36N6O14	656.229	NA	PeJP	NA	NA
+PJ012995	GSPCMY 	C27H40N6O9S2	656.2298	NA	PeJP	NA	NA
+PJ012996	GGDMMF 	C27H40N6O9S2	656.2299	NA	PeJP	NA	NA
+FL64ABGM0003	Triphyllin A	C30H40O16	656.23163	101395-02-2	knapsack	NA	NA
+MJ088970	4,4',5,7-Tetrahydroxy-6-hydroxymethyl-8-methylflavan, 4'-Me ether, 5,7-di-O-?-D-glucopyranoside 	C30H40O16	656.231635	NA	MeJP	NA	NA
+MJ088971	Harpagide; 8-O-E-Cinnamoyl, 6-O-?-D-galactopyranoside 	C30H40O16	656.231635	NA	MeJP	NA	NA
+MJ088972	Morroniside; 6'-O-[3-(3,4-Dimethoxybenzoyloxy)-2-methylpropanoyl] (R-) 	C30H40O16	656.231635	NA	MeJP	NA	NA
+PJ012997	GSTMMM 	C24H44N6O9S3	656.2332	NA	PeJP	NA	NA
+PJ012998	SSSCHH 	C24H36N10O10S	656.2337	NA	PeJP	NA	NA
+PJ012999	PCDHW 	C29H36N8O8S	656.2377	NA	PeJP	NA	NA
+PJ013000	NEEEH 	C25H36N8O13	656.2402	NA	PeJP	NA	NA
+PJ013001	CCEFR 	C26H40N8O8S2	656.2411	NA	PeJP	NA	NA
+PJ013002	CYWW 	C34H36N6O6S	656.2417	NA	PeJP	NA	NA
+PJ013003	SSDYW 	C30H36N6O11	656.2442	NA	PeJP	NA	NA
+PJ013004	ACMFW 	C31H40N6O6S2	656.2451	NA	PeJP	NA	NA
+MJ088973	Antibiotic MA 144 U9; 3''-Deoxy 	C34H40O13	656.246891	NA	MeJP	NA	NA
+PJ013005	SQEMY 	C27H40N6O11S	656.2476	NA	PeJP	NA	NA
+PJ013006	CNHHF 	C28H36N10O7S	656.2489	NA	PeJP	NA	NA
+PJ013007	GGCHHF 	C28H36N10O7S	656.249	NA	PeJP	NA	NA
+PJ013008	SSTTMM 	C24H44N6O11S2	656.251	NA	PeJP	NA	NA
+PJ013009	GSNNEH 	C24H36N10O12	656.2514	NA	PeJP	NA	NA
+PJ013010	DDDHR 	C24H36N10O12	656.2515	NA	PeJP	NA	NA
+PJ013011	GEEHW 	C29H36N8O10	656.2555	NA	PeJP	NA	NA
+MJ088974	Daunosaminyldaunomycin 	C33H40N2O12	656.258124	NA	MeJP	NA	NA
+MJ088975	Leurubicin 	C33H40N2O12	656.258124	NA	MeJP	NA	NA
+PJ013012	SCERY 	C26H40N8O10S	656.2588	NA	PeJP	NA	NA
+MJ088976	1,2,4,6,9-Pentahydroxydihydro-?-agarofuran, 1,6,9-Tribenzoyl, 2-Ac 	C38H40O10	656.262147	NA	MeJP	NA	NA
+MJ088977	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 2,8,9-Tribenzoyl, 1-Ac 	C38H40O10	656.262147	NA	MeJP	NA	NA
+MJ088978	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 6-Ac 	C38H40O10	656.262147	NA	MeJP	NA	NA
+PJ013013	ASMYW 	C31H40N6O8S	656.2628	NA	PeJP	NA	NA
+PJ013014	GTMYW 	C31H40N6O8S	656.2629	NA	PeJP	NA	NA
+PJ013015	ASSTEY 	C27H40N6O13	656.2653	NA	PeJP	NA	NA
+PJ013016	GSTTEY 	C27H40N6O13	656.2654	NA	PeJP	NA	NA
+PJ013017	VNMMY 	C28H44N6O8S2	656.2662	NA	PeJP	NA	NA
+PJ013018	SNNHW 	C28H36N10O9	656.2667	NA	PeJP	NA	NA
+PJ013019	NQQMH 	C25H40N10O9S	656.2701	NA	PeJP	NA	NA
+PJ013020	EHWW 	C33H36N8O7	656.2707	NA	PeJP	NA	NA
+PJ013021	SPMHW 	C30H40N8O7S	656.2741	NA	PeJP	NA	NA
+PJ013022	DKEEH 	C26H40N8O12	656.2766	NA	PeJP	NA	NA
+PJ013023	GMMRY 	C27H44N8O7S2	656.2775	NA	PeJP	NA	NA
+PJ013024	STTYW 	C31H40N6O10	656.2806	NA	PeJP	NA	NA
+PJ013025	CNQHR 	C24H40N12O8S	656.2813	NA	PeJP	NA	NA
+MJ088979	1,3,5,14,15,17-Hexahydroxy-9-paralianone, 3-Benzoyl, 1,5,14,17-tetra-Ac 	C35H44O12	656.283276	NA	MeJP	NA	NA
+MJ088980	1,3,5,8,14,15-Hexahydroxy-9-paralianone, 3-Benzoyl, 1,5,8,14-tetra-Ac 	C35H44O12	656.283276	NA	MeJP	NA	NA
+MJ088981	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 10-Benzoyl, 2,7,9,13-tetra-Ac 	C35H44O12	656.283276	NA	MeJP	NA	NA
+MJ088982	3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 5,7,8,14-tetra-Ac 	C35H44O12	656.283276	NA	MeJP	NA	NA
+MJ088983	5,20-Epoxy-11-taxene-1,2,4,7,9,10-hexol, 2-Benzoyl, 4,7,9,10-tetra-Ac 	C35H44O12	656.283276	NA	MeJP	NA	NA
+MJ088984	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac, 18-O-(4-O-benzoyl-?-D-glucopyranosyl) ester 	C35H44O12	656.283276	NA	MeJP	NA	NA
+MJ088985	Turraflorin C 	C35H44O12	656.283276	NA	MeJP	NA	NA
+PJ013026	SKEMY 	C28H44N6O10S	656.284	NA	PeJP	NA	NA
+MJ088986	Cryptophycin 26 	C35H45ClN2O8	656.286444	NA	MeJP	NA	NA
+MJ088987	Cryptophycin 4; 2,3-Dihydro, 3?-hydroxy, 6'-chloro 	C35H45ClN2O8	656.286444	NA	MeJP	NA	NA
+PJ013027	SEEHR 	C25H40N10O11	656.2878	NA	PeJP	NA	NA
+PJ013028	GGGGGGAPQ 	C25H40N10O11	656.2879	NA	PeJP	NA	NA
+PJ013029	SVEHW 	C30H40N8O9	656.2919	NA	PeJP	NA	NA
+PJ013030	STMRY 	C27H44N8O9S	656.2952	NA	PeJP	NA	NA
+PJ013031	AAFYW 	C35H40N6O7	656.2959	NA	PeJP	NA	NA
+2919	neuropeptide from eyestalk of Macrobrachium rosenb	FMRFG	656.2984	antibacterial	Inhouse_peptide	NA	peptide
+PJ013032	GSSNHR 	C24H40N12O10	656.2991	NA	PeJP	NA	NA
+PJ013033	PCKFY 	C32H44N6O7S	656.2992	NA	PeJP	NA	NA
+PJ013034	GGVMFF 	C32H44N6O7S	656.2993	NA	PeJP	NA	NA
+PJ013035	SSSTLY 	C28H44N6O12	656.3017	NA	PeJP	NA	NA
+PJ013036	SPPVEE 	C28H44N6O12	656.3018	NA	PeJP	NA	NA
+PJ013037	CLKMY 	C29H48N6O7S2	656.3026	NA	PeJP	NA	NA
+MJ088988	13,17-Dihydroxy-15-kauren-19-oic acid, 17-Aldehyde, 13-O-?-D-glucopyranoside, ?-D-glucopyranosyl ester 	C32H48O14	656.304406	NA	MeJP	NA	NA
+MJ088989	Riboflavine; 2',3',4',5'-Tetrabutanoyl 	C33H44N4O10	656.305743	NA	MeJP	NA	NA
+PJ013038	VDMHR 	C26H44N10O8S	656.3065	NA	PeJP	NA	NA
+PJ013039	APHFW 	C34H40N8O6	656.3071	NA	PeJP	NA	NA
+MJ088990	Efatine 	C38H44N2O8	656.309766	NA	MeJP	NA	NA
+MJ088991	Sinomenine; 1,1'-Dimer 	C38H44N2O8	656.309766	NA	MeJP	NA	NA
+MJ088992	Vateamine 	C38H44N2O8	656.309766	NA	MeJP	NA	NA
+C16954	Disinomenine	C38H44N2O8	656.3098	NA	KEGG	NA	NA
+PJ013040	ALMHW 	C31H44N8O6S	656.3105	NA	PeJP	NA	NA
+PJ013041	GTTLEH 	C27H44N8O11	656.313	NA	PeJP	NA	NA
+PJ013042	VQHHH 	C28H40N12O7	656.3143	NA	PeJP	NA	NA
+2645	synthetic fr, of human beta-CN (193-197) ACE inhibitor	HQIYP	656.315	NA	Inhouse_peptide	NA	peptide
+8234	Antioxidative peptide	AGWNIP	656.3159	NA  ;SYN:(-)-Asparagine; (S)-2,4-Diamino-4-oxobutanoate; (S)-2,4-Diamino-4-oxobutanoic acid; (S)-Asparagine; 2-Aminosuccinamate; 2-Aminosuccinamic acid; Agedoite; Altheine; Asn; Asparagine; Asparagine acid; Asparamide; Aspartamate; Aspartamic acid; Aspartic acid amide; Aspartic acid b-amide; Aspartic acid beta amide; B2,4-(S)-diamino-4-oxo-utanoate; B2,4-(S)-diamino-4-oxo-utanoic acid; Crystal VI; L-2,4-Diamino-4-oxobutanoate; L-2,4-Diamino-4-oxobutanoic acid; L-Aspartamine; L-b-Asparagine; L-beta-Asparagine; a-Aminosuccinamate; a-Aminosuccinamic acid; alpha Amminosuccinamate; alpha Amminosuccinamic acid; alpha-Aminosuccinamate; alpha-Aminosuccinamic acid; l-AsparagineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ013043	SPKYY 	C32H44N6O9	656.317	NA	PeJP	NA	NA
+PJ013044	CNKHR 	C25H44N12O7S	656.3177	NA	PeJP	NA	NA
+MJ088993	1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 7-ketone, 1,11-di-Ac, Me ester 	C36H48O11	656.319662	NA	MeJP	NA	NA
+MJ088994	Sodagnitin E; 12-Oxo, 3-ketone, 2-(3-hydroxy-3-methylglutaroyl) 	C36H48O11	656.319662	NA	MeJP	NA	NA
+PJ013045	APPLEM 	C29H48N6O9S	656.3204	NA	PeJP	NA	NA
+C02725	N3'-Acetylneomycin	C25H48N6O14	656.3229	NA	KEGG	NA	NA
+PJ013046	PQQER 	C26H44N10O10	656.3242	NA	PeJP	NA	NA
+PJ013047	AHHHR 	C27H40N14O6	656.3256	NA	PeJP	NA	NA
+PJ013048	TTLHW 	C31H44N8O8	656.3282	NA	PeJP	NA	NA
+PJ013049	GGGAPLW 	C31H44N8O8	656.3283	NA	PeJP	NA	NA
+MJ088995	Delectinine; O18-(2-Acetamidobenzoyl), O14-Ac 	C35H48N2O10	656.330895	NA	MeJP	NA	NA
+PJ013050	LKEMH 	C28H48N8O8S	656.3316	NA	PeJP	NA	NA
+MJ088996	Grandidone D 	C40H48O8	656.334918	NA	MeJP	NA	NA
+PJ013051	PNDRR 	C25H44N12O9	656.3355	NA	PeJP	NA	NA
+PJ013052	CLKFF 	C33H48N6O6S	656.3356	NA	PeJP	NA	NA
+PJ013053	GPLLEE 	C29H48N6O11	656.3381	NA	PeJP	NA	NA
+PJ013054	APQRW 	C30H44N10O7	656.3395	NA	PeJP	NA	NA
+3702	NA	VTKFY	656.34	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ088997	3,14-Dihydroxypregn-5-en-20-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H52O13	656.340791	NA	MeJP	NA	NA
+PJ013055	TLMHR 	C27H48N10O7S	656.3428	NA	PeJP	NA	NA
+PJ013056	GPPCKR 	C27H48N10O7S	656.3429	NA	PeJP	NA	NA
+PJ013057	SSTLLH 	C28H48N8O10	656.3494	NA	PeJP	NA	NA
+PJ013058	VKHHH 	C29H44N12O6	656.3507	NA	PeJP	NA	NA
+PJ013059	PLLEW 	C33H48N6O8	656.3534	NA	PeJP	NA	NA
+MJ088998	Wikstrotoxin A; 12?-Acetoxy 	C37H52O10	656.356047	NA	MeJP	NA	NA
+PJ013060	SPPLLM 	C30H52N6O8S	656.3568	NA	PeJP	NA	NA
+PJ013061	PQKER 	C27H48N10O9	656.3606	NA	PeJP	NA	NA
+PJ013062	PVQKW 	C32H48N8O7	656.3646	NA	PeJP	NA	NA
+MJ088999	Delajacirine 	C36H52N2O9	656.367281	NA	MeJP	NA	NA
+PJ013063	GPPKKM 	C29H52N8O7S	656.368	NA	PeJP	NA	NA
+MJ089000	Amphibine E; N-De-Me 	C37H48N6O5	656.368618	NA	MeJP	NA	NA
+PJ013064	PTQRR 	C26H48N12O8	656.3718	NA	PeJP	NA	NA
+PJ013065	SPVLLE 	C30H52N6O10	656.3745	NA	PeJP	NA	NA
+PJ013066	APKRW 	C31H48N10O6	656.3759	NA	PeJP	NA	NA
+MJ089001	3,14-Dihydroxypregnan-20-one, <bi></bi>3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-? -d -galactopyranoside] 	C34H56O12	656.377177	NA	MeJP	NA	NA
+MJ089002	Pregn-5-ene-3,14,20-triol, 3-O-(6-Deoxy-3-O-methyl-?-D-galactopyranoside), 20-O-?-D-glucopyranoside 	C34H56O12	656.377177	NA	MeJP	NA	NA
+MJ089003	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C34H56O12	656.377177	NA	MeJP	NA	NA
+PJ013067	SPPTKK 	C29H52N8O9	656.3857	NA	PeJP	NA	NA
+PJ013068	GPVKKE 	C29H52N8O9	656.3858	NA	PeJP	NA	NA
+PJ013069	APPLLF 	C34H52N6O7	656.3898	NA	PeJP	NA	NA
+MJ089004	Ilikonapyrone; 11,13-Dipropanoyl 	C38H56O9	656.392433	NA	MeJP	NA	NA
+PJ013070	APLLLM 	C31H56N6O7S	656.3932	NA	PeJP	NA	NA
+PJ013071	PKKER 	C28H52N10O8	656.397	NA	PeJP	NA	NA
+PJ013072	PVKKW 	C33H52N8O6	656.401	NA	PeJP	NA	NA
+PJ013073	PTKRR 	C27H52N12O7	656.4082	NA	PeJP	NA	NA
+PJ013074	GLLLLE 	C31H56N6O9	656.4109	NA	PeJP	NA	NA
+MJ089005	Monensin; 2-Demethylmonensin A 	C35H60O11	656.413562	NA	MeJP	NA	NA
+MJ089006	Monensin; Monensin A, 3-O-De-Me 	C35H60O11	656.413562	NA	MeJP	NA	NA
+MJ089007	Monensin; Monensin B 	C35H60O11	656.413562	NA	MeJP	NA	NA
+PJ013075	GLRRR 	C26H52N14O6	656.4195	NA	PeJP	NA	NA
+PJ013076	APTLKK 	C30H56N8O8	656.4221	NA	PeJP	NA	NA
+PJ013077	AAAALLK 	C30H56N8O8	656.4222	NA	PeJP	NA	NA
+C07466	Enalkiren	C35H56N6O6	656.4261	NA	KEGG	NA	NA
+MJ089008	Enalkiren 	C35H56N6O6	656.426133	NA	MeJP	NA	NA
+PJ013078	LLLLW 	C35H56N6O6	656.4262	NA	PeJP	NA	NA
+MJ089009	12-Oleanene-3,16,21,22,28-pentol, 21-(Methylbutenoyl), 22,28-di-Ac 	C39H60O8	656.428818	NA	MeJP	NA	NA
+MJ089010	12-Oleanene-3,16,21,22,28-pentol, 22-Angeloyl, 16,28-di-Ac 	C39H60O8	656.428818	NA	MeJP	NA	NA
+PJ013079	LLQKR 	C29H56N10O7	656.4334	NA	PeJP	NA	NA
+PJ013080	VVKRR 	C28H56N12O6	656.4446	NA	PeJP	NA	NA
+PJ013081	SVLLLL 	C32H60N6O8	656.4473	NA	PeJP	NA	NA
+PJ013082	GVLLKK 	C31H60N8O7	656.4585	NA	PeJP	NA	NA
+PJ013083	LLKKR 	C30H60N10O6	656.4698	NA	PeJP	NA	NA
+HMDB11155	PA(P-16:0e/18:2(9Z,12Z))	C37H69O7P	656.478088	NA	HMDB2010	NA	NA
+MJ089011	Inostamycin; Decarboxy 	C37H68O9	656.486333	NA	MeJP	NA	NA
+MJ089012	4,15,21,27,43-Hexatetracontapentaene-1,12,45-triyne-3,14-diol 	C46H72O2	656.553231	NA	MeJP	NA	NA
+MJ089013	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 43,44-Dihydro 	C46H72O2	656.553231	NA	MeJP	NA	NA
+MJ089014	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 4,5-Dihydro 	C46H72O2	656.553231	NA	MeJP	NA	NA
+MJ089015	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14-diol, 43,44-Dihydro 	C46H72O2	656.553231	NA	MeJP	NA	NA
+MJ089016	Petroformyne 1; 4,5,42,43-Tetrahydro, 44-deoxy, 23Z-isomer 	C46H72O2	656.553231	NA	MeJP	NA	NA
+2813	PEP inhibitor	GVQVETISPGDGR	656.8209	MH2+	Inhouse_peptide	NA	peptide
+MJ089017	Rebeccamycin; Dibromo analogue 	C27H21Br2N3O7	656.974625	NA	MeJP	NA	NA
+PJ013084	SCCCNE 	C21H35N7O11S3	657.1557	NA	PeJP	NA	NA
+PJ013085	GSCCCW 	C25H35N7O8S3	657.171	NA	PeJP	NA	NA
+PJ013086	GSSSCCD 	C21H35N7O13S2	657.1735	NA	PeJP	NA	NA
+PJ013087	GCCNMM 	C22H39N7O8S4	657.1743	NA	PeJP	NA	NA
+PJ013088	ACCCCR 	C21H39N9O7S4	657.1856	NA	PeJP	NA	NA
+PJ013089	GCCNDF 	C25H35N7O10S2	657.1887	NA	PeJP	NA	NA
+MJ089018	Geodiamolide L 	C28H40IN3O7	657.191094	NA	MeJP	NA	NA
+MJ089019	Geodiamolide O 	C28H40IN3O7	657.191094	NA	MeJP	NA	NA
+PJ013090	SSCCQM 	C22H39N7O10S3	657.1921	NA	PeJP	NA	NA
+PJ013091	DDDMY 	C26H35N5O13S	657.1952	NA	PeJP	NA	NA
+PJ013092	DMMMM 	C24H43N5O8S4	657.1995	NA	PeJP	NA	NA
+PJ013093	SSCCCR 	C21H39N9O9S3	657.2033	NA	PeJP	NA	NA
+MJ089020	Antibiotic A 2121; Antibiotic A 2121-1, 4A,4E-Bis-O-deglycosyl 	C32H35NO14	657.205754	NA	MeJP	NA	NA
+PJ013094	GSCNDY 	C25H35N7O12S	657.2065	NA	PeJP	NA	NA
+PJ013095	GSSSSCM 	C22H39N7O12S2	657.2098	NA	PeJP	NA	NA
+PJ013096	ACCCKM 	C23H43N7O7S4	657.2107	NA	PeJP	NA	NA
+PJ013097	DDMMF 	C27H39N5O10S2	657.2139	NA	PeJP	NA	NA
+PJ013098	CMMHH 	C25H39N9O6S3	657.2186	NA	PeJP	NA	NA
+PJ013099	DEEEH 	C25H35N7O14	657.2242	NA	PeJP	NA	NA
+PJ013100	CNQMY 	C26H39N7O9S2	657.2251	NA	PeJP	NA	NA
+MJ089021	Histidomycin A 	C25H36ClN9O10	657.227366	NA	MeJP	NA	NA
+PJ013101	SSSSSTC 	C22H39N7O14S	657.2276	NA	PeJP	NA	NA
+PJ013102	DDDFF 	C30H35N5O12	657.2282	NA	PeJP	NA	NA
+PJ013103	SSCCKM 	C23H43N7O9S3	657.2285	NA	PeJP	NA	NA
+PJ013104	GCNNNH 	C23H35N11O10S	657.2289	NA	PeJP	NA	NA
+PJ013105	GGGGGCNH 	C23H35N11O10S	657.229	NA	PeJP	NA	NA
+PJ013106	SEEMY 	C27H39N5O12S	657.2316	NA	PeJP	NA	NA
+PJ013107	CDHHF 	C28H35N9O8S	657.233	NA	PeJP	NA	NA
+PJ013108	GSNDEH 	C24H35N9O13	657.2355	NA	PeJP	NA	NA
+PJ013109	CCNRY 	C25H39N9O8S2	657.2363	NA	PeJP	NA	NA
+PJ013110	GSSNMY 	C26H39N7O11S	657.2428	NA	PeJP	NA	NA
+PJ013111	GGGSSMY 	C26H39N7O11S	657.2429	NA	PeJP	NA	NA
+PJ013112	PCEFY 	C31H39N5O9S	657.2469	NA	PeJP	NA	NA
+PJ013113	VDMMY 	C28H43N5O9S2	657.2502	NA	PeJP	NA	NA
+PJ013114	SNDHW 	C28H35N9O10	657.2507	NA	PeJP	NA	NA
+PJ013115	NQEMH 	C25H39N9O10S	657.2541	NA	PeJP	NA	NA
+PJ013116	CNQFF 	C30H39N7O8S	657.2581	NA	PeJP	NA	NA
+PJ013117	SSSSQY 	C26H39N7O13	657.2606	NA	PeJP	NA	NA
+PJ013118	CNKMY 	C27H43N7O8S2	657.2615	NA	PeJP	NA	NA
+PJ013119	SPEYY 	C31H39N5O11	657.2646	NA	PeJP	NA	NA
+PJ013120	CNEHR 	C24H39N11O9S	657.2653	NA	PeJP	NA	NA
+PJ013121	VMMMF 	C29H47N5O6S3	657.2689	NA	PeJP	NA	NA
+PJ013122	GQMHW 	C29H39N9O7S	657.2693	NA	PeJP	NA	NA
+PJ013123	GGAMHW 	C29H39N9O7S	657.2694	NA	PeJP	NA	NA
+PJ013124	GSTQEH 	C25H39N9O12	657.2718	NA	PeJP	NA	NA
+PJ013125	GGGTTEH 	C25H39N9O12	657.2719	NA	PeJP	NA	NA
+PJ013126	APCCKH 	C26H43N9O7S2	657.2727	NA	PeJP	NA	NA
+PJ013127	NNHHH 	C26H35N13O8	657.2732	NA	PeJP	NA	NA
+2727	erythromycin inhibitor	MYMLT	657.2748	NA	Inhouse_peptide	NA	peptide
+PJ013128	SNQFY 	C30H39N7O10	657.2758	NA	PeJP	NA	NA
+PJ013129	GSPPDW 	C30H39N7O10	657.2759	NA	PeJP	NA	NA
+MJ089022	Antibiotic T 2636K 	C34H43NO12	657.278525	NA	MeJP	NA	NA
+MJ089023	Lankacidin T 	C34H43NO12	657.278525	NA	MeJP	NA	NA
+MJ089024	Lankacidin U 	C34H43NO12	657.278525	NA	MeJP	NA	NA
+PJ013130	GSTCKY 	C27H43N7O10S	657.2792	NA	PeJP	NA	NA
+PJ013131	GGAPPEM 	C27H43N7O10S	657.2793	NA	PeJP	NA	NA
+PJ013132	GCHRW 	C28H39N11O6S	657.2806	NA	PeJP	NA	NA
+PJ013133	GSSDHR 	C24H39N11O11	657.2831	NA	PeJP	NA	NA
+PJ013134	PCLYY 	C32H43N5O8S	657.2832	NA	PeJP	NA	NA
+PJ013135	VDMFF 	C32H43N5O8S	657.2833	NA	PeJP	NA	NA
+PJ013136	TLMMY 	C29H47N5O8S2	657.2866	NA	PeJP	NA	NA
+PJ013137	STQHW 	C29H39N9O9	657.2871	NA	PeJP	NA	NA
+PJ013138	GPPCER 	C26H43N9O9S	657.2905	NA	PeJP	NA	NA
+PJ013139	PPQMW 	C31H43N7O7S	657.2945	NA	PeJP	NA	NA
+PJ013140	SSSSKY 	C27H43N7O12	657.297	NA	PeJP	NA	NA
+PJ013141	VEHHH 	C28H39N11O8	657.2983	NA	PeJP	NA	NA
+PJ013142	GGGPPHH 	C28H39N11O8	657.2984	NA	PeJP	NA	NA
+PJ013143	ALEYY 	C32H43N5O10	657.301	NA	PeJP	NA	NA
+PJ013144	SQMHR 	C25H43N11O8S	657.3017	NA	PeJP	NA	NA
+PJ013145	AHHFF 	C33H39N9O6	657.3024	NA	PeJP	NA	NA
+PJ013146	PPCRW 	C30H43N9O6S	657.3057	NA	PeJP	NA	NA
+MJ089025	Paromomycin; N1-Ac 	C25H47N5O15	657.306865	NA	MeJP	NA	NA
+C17587	2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C	C25H47N5O15	657.3069	NA	KEGG	NA	NA
+PJ013147	PQEER 	C26H43N9O11	657.3082	NA	PeJP	NA	NA
+PJ013148	GGGGGPKE 	C26H43N9O11	657.3083	NA	PeJP	NA	NA
+PJ013149	PVQEW 	C31H43N7O9	657.3122	NA	PeJP	NA	NA
+PJ013150	GGPLEW 	C31H43N7O9	657.3123	NA	PeJP	NA	NA
+PJ013151	SCHRR 	C24H43N13O7S	657.3129	NA	PeJP	NA	NA
+MJ089026	Protorifamycin I-MI 	C35H47NO11	657.314911	NA	MeJP	NA	NA
+MJ089027	Aconitine 	C35H47NO11	657.314911	NA	MeJP	NA	NA
+PJ013152	GPPKEM 	C28H47N7O9S	657.3156	NA	PeJP	NA	NA
+PJ013153	PTFFF 	C36H43N5O7	657.3163	NA	PeJP	NA	NA
+PJ013154	PDDRR 	C25H43N11O10	657.3195	NA	PeJP	NA	NA
+PJ013155	VVMFY 	C33H47N5O7S	657.3196	NA	PeJP	NA	NA
+PJ013156	APERW 	C30H43N9O8	657.3235	NA	PeJP	NA	NA
+PJ013157	GPPTMR 	C27H47N9O8S	657.3269	NA	PeJP	NA	NA
+PJ013158	GPLWW 	C35H43N7O6	657.3275	NA	PeJP	NA	NA
+PJ013159	PPKMW 	C32H47N7O6S	657.3309	NA	PeJP	NA	NA
+PJ013160	GPVKEE 	C28H47N7O11	657.3334	NA	PeJP	NA	NA
+MJ089028	Polymastiamide D 	C36H51NO8S	657.333538	NA	MeJP	NA	NA
+PJ013161	AQHFR 	C29H43N11O7	657.3347	NA	PeJP	NA	NA
+PJ013162	SLLYY 	C33H47N5O9	657.3374	NA	PeJP	NA	NA
+PJ013163	SKMHR 	C26H47N11O7S	657.3381	NA	PeJP	NA	NA
+PJ013164	PKEER 	C27H47N9O10	657.3446	NA	PeJP	NA	NA
+PJ013165	PVKEW 	C32H47N7O8	657.3486	NA	PeJP	NA	NA
+MJ089029	Chasmanine; 14-O-(3,4-Dimethoxybenzoyl), 8-Ac 	C36H51NO10	657.351296	NA	MeJP	NA	NA
+MJ089030	Zygadenine; O3-(3,4-Dimethoxybenzoyl) 	C36H51NO10	657.351296	NA	MeJP	NA	NA
+PJ013166	SPPVKM 	C29H51N7O8S	657.352	NA	PeJP	NA	NA
+PJ013167	VVFFF 	C37H47N5O6	657.3527	NA	PeJP	NA	NA
+PJ013168	PTERR 	C26H47N11O9	657.3558	NA	PeJP	NA	NA
+PJ013169	GSPNKR 	C26H47N11O9	657.3559	NA	PeJP	NA	NA
+PJ013170	SPLRW 	C31H47N9O7	657.3599	NA	PeJP	NA	NA
+PJ013171	AAPLMR 	C28H51N9O7S	657.3633	NA	PeJP	NA	NA
+PJ013172	AQQRR 	C25H47N13O8	657.3671	NA	PeJP	NA	NA
+PJ013173	APTLKE 	C29H51N7O10	657.3698	NA	PeJP	NA	NA
+PJ013174	AKHFR 	C30H47N11O6	657.3711	NA	PeJP	NA	NA
+PJ013175	PVMRR 	C27H51N11O6S	657.3745	NA	PeJP	NA	NA
+2925	neuropeptide from eyestalk of Macrobrachium rosenb	ANRSPSLRLRF~	657.37545	MH2+	Inhouse_peptide	NA	peptide
+PJ013176	GNRRR 	C24H47N15O7	657.3783	NA	PeJP	NA	NA
+PJ013177	LLQER 	C28H51N9O9	657.381	NA	PeJP	NA	NA
+PJ013178	VLLQW 	C33H51N7O7	657.385	NA	PeJP	NA	NA
+MJ089031	Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3,4-di-O-acetyl-2-deoxy-6-O-butanoyl-?-D-galactopyranoside) 	C37H55NO9	657.387682	NA	MeJP	NA	NA
+MJ089032	Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3,6-di-O-acetyl-2-deoxy-4-O-butanoyl-?-D-galactopyranoside) 	C37H55NO9	657.387682	NA	MeJP	NA	NA
+PJ013179	GPLLKM 	C30H55N7O7S	657.3884	NA	PeJP	NA	NA
+PJ013180	VVERR 	C27H51N11O8	657.3922	NA	PeJP	NA	NA
+PJ013181	ALLRW 	C32H51N9O6	657.3963	NA	PeJP	NA	NA
+PJ013182	AQKRR 	C26H51N13O7	657.4035	NA	PeJP	NA	NA
+PJ013183	SPTLLK 	C30H55N7O9	657.4061	NA	PeJP	NA	NA
+PJ013184	GVLLKE 	C30H55N7O9	657.4062	NA	PeJP	NA	NA
+PJ013185	LLKER 	C29H55N9O8	657.4174	NA	PeJP	NA	NA
+PJ013186	VLLKW 	C34H55N7O6	657.4214	NA	PeJP	NA	NA
+PJ013187	TLLRR 	C28H55N11O7	657.4286	NA	PeJP	NA	NA
+MJ089033	Pepstatins; Pepstatin PR 	C32H59N5O9	657.431278	NA	MeJP	NA	NA
+PJ013188	AKKRR 	C27H55N13O6	657.4399	NA	PeJP	NA	NA
+PJ013189	ATLLLK 	C31H59N7O8	657.4425	NA	PeJP	NA	NA
+PJ013190	AALKKK 	C30H59N9O7	657.4538	NA	PeJP	NA	NA
+PJ013191	VKKKR 	C29H59N11O6	657.465	NA	PeJP	NA	NA
+MJ089034	Squalamine; 24-Hydroxymethyl 	C35H67N3O6S	657.475057	NA	MeJP	NA	NA
+MJ089035	2-Amino-4,8-octadecadiene-1,3-diol, N-Me, N-octadecanoyl, 1-O-sulfate 	C37H71NO6S	657.500209	NA	MeJP	NA	NA
+MJ089036	Mercury(I) iodide (Hg2I2) 	Hg2I2	657.750188	NA	MeJP	NA	NA
+7032	synthetic peptide from alpha-gliadin	GSFRPSQQNPQA	657.80595	MH2+	Inhouse_peptide	NA	peptide
+FL5FAGGS0018	Myricetin 3-O-(4''-O-acetyl-2''-O-galloyl)-alpha-L-rhamnopyranoside;3-[[4-O-Acetyl-6-deoxy-2-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C30H26O17	658.11699	402954-90-9	knapsack	NA	NA
+MJ089037	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3'-O-[3,4,5-Trihydroxybenzoyl-(?2)-6-O-acetyl-?-D-galactopyranoside] 	C30H27O17(+)	658.116999	NA	MeJP	NA	NA
+MJ089038	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-6-O-acetyl-?-D-galactopyranoside] 	C30H27O17(+)	658.116999	NA	MeJP	NA	NA
+PJ013192	CCCCNN 	C20H34N8O9S4	658.1332	NA	PeJP	NA	NA
+PJ013193	SCCCDE 	C21H34N6O12S3	658.1397	NA	PeJP	NA	NA
+PJ013194	PCCCCM 	C22H38N6O7S5	658.1406	NA	PeJP	NA	NA
+MJ089039	Edgeworthin; 6-Me ether, 7-O-[3-hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside] 	C31H30O16	658.153384	NA	MeJP	NA	NA
+PJ013195	GCCDMM 	C22H38N6O9S4	658.1583	NA	PeJP	NA	NA
+PJ013196	GCCDDF 	C25H34N6O11S2	658.1727	NA	PeJP	NA	NA
+PJ013197	SSCCEM 	C22H38N6O11S3	658.1761	NA	PeJP	NA	NA
+PJ013198	GCCCHH 	C23H34N10O7S3	658.1774	NA	PeJP	NA	NA
+MJ089040	Elloramycin A; 4-Ketone 	C32H34O15	658.18977	NA	MeJP	NA	NA
+MJ089041	Plumieride; 13-(4-Hydroxy-E-cinnamoyl), 6'-Ac 	C32H34O15	658.18977	NA	MeJP	NA	NA
+MJ089042	Plumieride; 13-(4-Hydroxy-Z-cinnamoyl), 6'-Ac 	C32H34O15	658.18977	NA	MeJP	NA	NA
+PJ013199	GSCDDY 	C25H34N6O13S	658.1905	NA	PeJP	NA	NA
+PJ013200	SPCCCF 	C26H38N6O8S3	658.1913	NA	PeJP	NA	NA
+PJ013201	APCCCY 	C26H38N6O8S3	658.1914	NA	PeJP	NA	NA
+PJ013202	GSCMMM 	C23H42N6O8S4	658.1947	NA	PeJP	NA	NA
+PJ013203	PPCCCH 	C25H38N8O7S3	658.2026	NA	PeJP	NA	NA
+MJ089043	6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-5(16)-briaren-18,7-olide, 2,9,12,13,14-Penta-Ac 	C30H39ClO14	658.202833	NA	MeJP	NA	NA
+MJ089044	6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 3?,4?-Epoxide, 2,9,11,12,14-penta-Ac 	C30H39ClO14	658.202833	NA	MeJP	NA	NA
+PJ013204	CNEMY 	C26H38N6O10S2	658.2091	NA	PeJP	NA	NA
+PJ013205	SSTCMM 	C23H42N6O10S3	658.2125	NA	PeJP	NA	NA
+PJ013206	GCNNDH 	C23H34N10O11S	658.213	NA	PeJP	NA	NA
+MJ089045	Cholest-5-ene-2,3,26-triol, Trisulfate 	C27H46O12S3	658.215139	NA	MeJP	NA	NA
+PJ013207	GSDDEH 	C24H34N8O14	658.2195	NA	PeJP	NA	NA
+PJ013208	CCDRY 	C25H38N8O9S2	658.2203	NA	PeJP	NA	NA
+PJ013209	GPCDMH 	C25H38N8O9S2	658.2204	NA	PeJP	NA	NA
+MJ089046	Cryptophycin 4; 6',8'-Dichloro, O-de-Me 	C34H40Cl2N2O7	658.221257	NA	MeJP	NA	NA
+PJ013210	GCMYW 	C30H38N6O7S2	658.2244	NA	PeJP	NA	NA
+MJ089047	1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-[4-Hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C33H38O14	658.226155	NA	MeJP	NA	NA
+PJ013211	GSSDMY 	C26H38N6O12S	658.2269	NA	PeJP	NA	NA
+PJ013212	CQMMF 	C27H42N6O7S3	658.2277	NA	PeJP	NA	NA
+PJ013213	SDDHW 	C28H34N8O11	658.2347	NA	PeJP	NA	NA
+PJ013214	NEEMH 	C25H38N8O11S	658.2381	NA	PeJP	NA	NA
+PJ013215	CCMFR 	C26H42N8O6S3	658.239	NA	PeJP	NA	NA
+PJ013216	STCYW 	C30H38N6O9S	658.2421	NA	PeJP	NA	NA
+PJ013217	SSSSEY 	C26H38N6O14	658.2446	NA	PeJP	NA	NA
+PJ013218	SQMMY 	C27H42N6O9S2	658.2455	NA	PeJP	NA	NA
+PJ013219	CDEHR 	C24H38N10O10S	658.2493	NA	PeJP	NA	NA
+PJ013220	GGGGGSMH 	C24H38N10O10S	658.2494	NA	PeJP	NA	NA
+MJ089048	Thapoxepine A 	C36H38N2O10	658.252645	NA	MeJP	NA	NA
+PJ013221	GEMHW 	C29H38N8O8S	658.2534	NA	PeJP	NA	NA
+PJ013222	GSTEEH 	C25H38N8O13	658.2559	NA	PeJP	NA	NA
+PJ013223	SCMRY 	C26H42N8O8S2	658.2567	NA	PeJP	NA	NA
+PJ013224	NDHHH 	C26H34N12O9	658.2572	NA	PeJP	NA	NA
+PJ013225	GCFFW 	C34H38N6O6S	658.2574	NA	PeJP	NA	NA
+PJ013226	GQEYY 	C30H38N6O11	658.2599	NA	PeJP	NA	NA
+MJ089049	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 2,6,8,9,14-penta-Ac 	C34H42O13	658.262541	NA	MeJP	NA	NA
+MJ089050	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylbutanoyl), 3-O-[4-hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] 	C34H42O13	658.262541	NA	MeJP	NA	NA
+MJ089051	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylbutanoyl), 3-O-[4-hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C34H42O13	658.262541	NA	MeJP	NA	NA
+MJ089052	Rohitukin 	C34H42O13	658.262541	NA	MeJP	NA	NA
+PJ013227	GSTTMY 	C27H42N6O11S	658.2632	NA	PeJP	NA	NA
+PJ013228	GPPEEM 	C27H42N6O11S	658.2633	NA	PeJP	NA	NA
+PJ013229	CKMMF 	C28H46N6O6S3	658.2641	NA	PeJP	NA	NA
+PJ013230	SSSNQH 	C24H38N10O12	658.2671	NA	PeJP	NA	NA
+PJ013231	MHWW 	C33H38N8O5S	658.2686	NA	PeJP	NA	NA
+PJ013232	STEHW 	C29H38N8O10	658.2711	NA	PeJP	NA	NA
+PJ013233	DKEMH 	C26H42N8O10S	658.2745	NA	PeJP	NA	NA
+PJ013234	QYYW 	C34H38N6O8	658.2751	NA	PeJP	NA	NA
+PJ013235	PPEMW 	C31H42N6O8S	658.2785	NA	PeJP	NA	NA
+PJ013236	SSTTTY 	C27H42N6O13	658.281	NA	PeJP	NA	NA
+PJ013237	SKMMY 	C28H46N6O8S2	658.2819	NA	PeJP	NA	NA
+PJ013238	NNQHF 	C28H38N10O9	658.2823	NA	PeJP	NA	NA
+PJ013239	GGNQHF 	C28H38N10O9	658.2824	NA	PeJP	NA	NA
+PJ013240	SEMHR 	C25H42N10O9S	658.2857	NA	PeJP	NA	NA
+PJ013241	GPNWW 	C33H38N8O7	658.2864	NA	PeJP	NA	NA
+MJ089053	Forbagline A 	C37H42N2O9	658.28903	NA	MeJP	NA	NA
+MJ089054	Milliamine H 	C37H42N2O9	658.28903	NA	MeJP	NA	NA
+PJ013242	SVMHW 	C30H42N8O7S	658.2897	NA	PeJP	NA	NA
+PJ013243	GAPMHF 	C30H42N8O7S	658.2898	NA	PeJP	NA	NA
+PJ013244	SSSLEH 	C26H42N8O12	658.2922	NA	PeJP	NA	NA
+PJ013245	PEEER 	C26H42N8O12	658.2923	NA	PeJP	NA	NA
+MJ089055	Crassifolin 	C42H42O7	658.293053	NA	MeJP	NA	NA
+PJ013246	LQMMH 	C27H46N8O7S2	658.2931	NA	PeJP	NA	NA
+PJ013247	TQHHH 	C27H38N12O8	658.2936	NA	PeJP	NA	NA
+PJ013248	PVEEW 	C31H42N6O10	658.2963	NA	PeJP	NA	NA
+MJ089056	3,5,8,9,10,14,15-Pepluaneheptol, 3-Benzoyl, 5,8,9,14-tetra-Ac 	C35H46O12	658.298926	NA	MeJP	NA	NA
+MJ089057	Azadirachtanin; 14?,15?-Epoxide, 29-de-Ac, 29-(2-methylbutanoyl) 	C35H46O12	658.298926	NA	MeJP	NA	NA
+MJ089058	Meliatoxin B1 	C35H46O12	658.298926	NA	MeJP	NA	NA
+MJ089059	Trichilin B; 12-Deoxy 	C35H46O12	658.298926	NA	MeJP	NA	NA
+PJ013249	SPPVEM 	C28H46N6O10S	658.2996	NA	PeJP	NA	NA
+PJ013250	PCHFR 	C29H42N10O6S	658.301	NA	PeJP	NA	NA
+PJ013251	GSPNER 	C25H42N10O11	658.3035	NA	PeJP	NA	NA
+PJ013252	CLMHR 	C26H46N10O6S2	658.3043	NA	PeJP	NA	NA
+MJ089060	Evertetrose 	C28H50O17	658.3048	NA	MeJP	NA	NA
+PJ013253	PNDKW 	C30H42N8O9	658.3075	NA	PeJP	NA	NA
+PJ013254	GTTLMH 	C27H46N8O9S	658.3109	NA	PeJP	NA	NA
+PJ013255	KYYW 	C35H42N6O7	658.3115	NA	PeJP	NA	NA
+MJ089061	Cotylenin B 	C33H51ClO11	658.31199	NA	MeJP	NA	NA
+MJ089062	12-Hydroxyvilasinin; 1-Cinnamoyl, 3,12-di-Ac 	C39H46O9	658.314183	NA	MeJP	NA	NA
+MJ089063	12-Hydroxyvilasinin; 12-Cinnamoyl, 1,3-di-Ac 	C39H46O9	658.314183	NA	MeJP	NA	NA
+PJ013256	NNQQR 	C24H42N12O10	658.3147	NA	PeJP	NA	NA
+PJ013257	AKMFY 	C32H46N6O7S	658.3149	NA	PeJP	NA	NA
+PJ013258	APTLEE 	C28H46N6O12	658.3174	NA	PeJP	NA	NA
+PJ013259	APPLMM 	C29H50N6O7S2	658.3183	NA	PeJP	NA	NA
+PJ013260	SPNRW 	C29H42N10O8	658.3187	NA	PeJP	NA	NA
+MJ089064	13,17-Dihydroxy-15-kauren-19-oic acid, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C32H50O14	658.320056	NA	MeJP	NA	NA
+MJ089065	8,11,13-Abietatriene-11,12,16,19-tetrol, 12,19-Di-O-?-D-glucopyranoside 	C32H50O14	658.320056	NA	MeJP	NA	NA
+MJ089066	9,13-Dihydroxy-16-kauren-19-oic acid, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C32H50O14	658.320056	NA	MeJP	NA	NA
+MJ089067	Antibiotic 15G256? 	C33H46N4O10	658.321393	NA	MeJP	NA	NA
+PJ013261	PQQMR 	C26H46N10O8S	658.3221	NA	PeJP	NA	NA
+PJ013262	GLHFW 	C34H42N8O6	658.3228	NA	PeJP	NA	NA
+MJ089068	?-Truxilline 	C38H46N2O8	658.325416	NA	MeJP	NA	NA
+MJ089069	?-Truxilline 	C38H46N2O8	658.325416	NA	MeJP	NA	NA
+PJ013263	PKMHF 	C31H46N8O6S	658.3261	NA	PeJP	NA	NA
+PJ013264	STTTLH 	C27H46N8O11	658.3286	NA	PeJP	NA	NA
+PJ013265	GGGGALLD 	C27H46N8O11	658.3287	NA	PeJP	NA	NA
+PJ013266	LKMMH 	C28H50N8O6S2	658.3295	NA	PeJP	NA	NA
+PJ013267	TKHHH 	C28H42N12O7	658.33	NA	PeJP	NA	NA
+PJ013268	SVKYY 	C32H46N6O9	658.3326	NA	PeJP	NA	NA
+PJ013269	GPPLEF 	C32H46N6O9	658.3327	NA	PeJP	NA	NA
+PJ013270	PCQRR 	C25H46N12O7S	658.3333	NA	PeJP	NA	NA
+PJ013271	GAPCRR 	C25H46N12O7S	658.3334	NA	PeJP	NA	NA
+MJ089070	1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 1,11-di-Ac, Me ester 	C36H50O11	658.335312	NA	MeJP	NA	NA
+MJ089071	Sordaricin; O-[4S,5R:6S,7S-Diepoxy-2-methyl-2Z-octenoyl-(?3)-6-deoxy-4-O-methyl-?-D-altropyranoside] 	C36H50O11	658.335312	NA	MeJP	NA	NA
+PJ013272	GPLLEM 	C29H50N6O9S	658.336	NA	PeJP	NA	NA
+MJ089072	Spirostane-1,3-diol, 1-O(4-O-acetyl-?-L-fucopyranoside) 	C33H54O11S	658.338683	NA	MeJP	NA	NA
+MJ089073	Spirostane-1,3-diol, 1-O-(4-O-sulfo-?-L-fucopyranoside) 	C33H54O11S	658.338683	NA	MeJP	NA	NA
+PJ013273	VQQER 	C26H46N10O10	658.3399	NA	PeJP	NA	NA
+PJ013274	PTQKW 	C31H46N8O8	658.3439	NA	PeJP	NA	NA
+MJ089074	Lycoctonine; 18-O-(2-Ethoxycarbonylaminobenzoyl) 	C35H50N2O10	658.346545	NA	MeJP	NA	NA
+PJ013275	GPVQKM 	C28H50N8O8S	658.3473	NA	PeJP	NA	NA
+MJ089075	Dianthin B 	C36H46N6O6	658.347883	NA	MeJP	NA	NA
+PJ013276	PPLFW 	C36H46N6O6	658.3479	NA	PeJP	NA	NA
+MJ089076	Grandidone C 	C40H50O8	658.350568	NA	MeJP	NA	NA
+PJ013277	AQERR 	C25H46N12O9	658.3511	NA	PeJP	NA	NA
+PJ013278	PLLMW 	C33H50N6O6S	658.3513	NA	PeJP	NA	NA
+PJ013279	GVLLEE 	C29H50N6O11	658.3538	NA	PeJP	NA	NA
+PJ013280	GLQRW 	C30H46N10O7	658.3551	NA	PeJP	NA	NA
+MJ089077	1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 22-O-?-D-Galactopyranoside 	C33H54O13	658.356441	NA	MeJP	NA	NA
+MJ089078	3,11,14-Trihydroxybufa-20,22-dienolide, 3-Succinoylarginine ester 	C34H50N4O9	658.357779	NA	MeJP	NA	NA
+PJ013281	PQKMR 	C27H50N10O7S	658.3585	NA	PeJP	NA	NA
+PJ013282	GDRRR 	C24H46N14O8	658.3623	NA	PeJP	NA	NA
+PJ013283	LLEER 	C28H50N8O10	658.365	NA	PeJP	NA	NA
+2803	PEP inhibitor	LPPPVH	658.366	NA	Inhouse_peptide	NA	peptide
+2804	PEP inhibitor	PPPVHL	658.366	NA	Inhouse_peptide	NA	peptide
+2806	PEP inhibitor	HLPPPV	658.366	NA	Inhouse_peptide	NA	peptide
+3517	ACE inhibitor	PPPVHL	658.366	ACE inhibitor	Inhouse_peptide	NA	peptide
+3527	ACE inhibitor	VHLPPP	658.366	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ013284	AARRW 	C29H46N12O6	658.3664	NA	PeJP	NA	NA
+PJ013285	VLLEW 	C33H50N6O8	658.369	NA	PeJP	NA	NA
+PJ013286	PCKRR 	C26H50N12O6S	658.3697	NA	PeJP	NA	NA
+MJ089079	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 2,3,23-Tri-Ac, 28-Me ester 	C37H54O10	658.371697	NA	MeJP	NA	NA
+MJ089080	22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2-methylbutanoyl) 	C37H54O10	658.371697	NA	MeJP	NA	NA
+MJ089081	24,25-Epoxy-3,12-dihydroxycycloart-7-ene-16,23-dione, 3-O-?-D-Xylopyranoside, 12-Ac 	C37H54O10	658.371697	NA	MeJP	NA	NA
+MJ089082	Acteol; 26-Deoxy, 7,8-didehydro, 3-O-?-D-xylopyranoside, 12-Ac 	C37H54O10	658.371697	NA	MeJP	NA	NA
+PJ013287	SPVLLM 	C30H54N6O8S	658.3724	NA	PeJP	NA	NA
+PJ013288	LNKER 	C27H50N10O9	658.3762	NA	PeJP	NA	NA
+PJ013289	VQKER 	C27H50N10O9	658.3763	NA	PeJP	NA	NA
+PJ013290	PTKKW 	C32H50N8O7	658.3803	NA	PeJP	NA	NA
+PJ013291	GPVKKM 	C29H54N8O7S	658.3837	NA	PeJP	NA	NA
+PJ013292	AKERR 	C26H50N12O8	658.3875	NA	PeJP	NA	NA
+PJ013293	ATLLLE 	C30H54N6O10	658.3902	NA	PeJP	NA	NA
+PJ013294	GLKRW 	C31H50N10O6	658.3915	NA	PeJP	NA	NA
+MJ089083	Furostane-1,3,4,5,22,26-hexol, 22-Me ether, 26-O-?-D-glucopyranoside 	C34H58O12	658.392827	NA	MeJP	NA	NA
+MJ089084	Pregnane-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-methyl-?-D-fucopyranoside] 	C34H58O12	658.392827	NA	MeJP	NA	NA
+PJ013295	PKKMR 	C28H54N10O6S	658.3949	NA	PeJP	NA	NA
+MJ089085	Incarvillateine; Bis(demethoxy) 	C40H54N2O6	658.398187	NA	MeJP	NA	NA
+PJ013296	ATRRR 	C25H50N14O7	658.3987	NA	PeJP	NA	NA
+PJ013297	AALKKE 	C29H54N8O9	658.4014	NA	PeJP	NA	NA
+PJ013298	GPLLLF 	C34H54N6O7	658.4054	NA	PeJP	NA	NA
+MJ089086	3,5,11,14,19-Pentahydroxybufa-20,22-dienolide, 3-(14-Hydroxy-7-tetradecenoyl) 	C38H58O9	658.408083	NA	MeJP	NA	NA
+PJ013299	GLLLLM 	C31H58N6O7S	658.4088	NA	PeJP	NA	NA
+PJ013300	VKKER 	C28H54N10O8	658.4126	NA	PeJP	NA	NA
+PJ013301	GGAAKKK 	C28H54N10O8	658.4127	NA	PeJP	NA	NA
+PJ013302	VVKKW 	C33H54N8O6	658.4167	NA	PeJP	NA	NA
+C08596	Fucoxanthin	C42H58O6	658.4233	NA	KEGG	NA	NA
+MJ089087	Fucoxanthinol; 3'-Ac 	C42H58O6	658.423339	NA	MeJP	NA	NA
+MJ089088	Isofucoxanthinol; 3'-Ac 	C42H58O6	658.423339	NA	MeJP	NA	NA
+HMDB02741	Fucoxanthin	C42H58O6	658.42334	http://www.hmdb.ca/metabolites/HMDB02741	HMDB	NA	NA
+HMDB02741	Fucoxanthin	C42H58O6	658.42334	HMDB02741	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02741	Fucoxanthin	C42H58O6	658.42334	NA	HMDB2010	NA	NA
+PJ013303	SLKRR 	C27H54N12O7	658.4239	NA	PeJP	NA	NA
+PJ013304	STLLLL 	C31H58N6O9	658.4265	NA	PeJP	NA	NA
+PJ013305	STILLL 	C31H58N6O9	658.4266	NA	PeJP	NA	NA
+MJ089089	Antibiotic X 14873A 	C35H62O11	658.429212	NA	MeJP	NA	NA
+PJ013306	GTLLKK 	C30H58N8O8	658.4378	NA	PeJP	NA	NA
+PJ013307	QKKKK 	C29H58N10O7	658.449	NA	PeJP	NA	NA
+MJ089090	Argiopinin IV; 4'',9'-Di-Me 	C33H58N10O4	658.46425	NA	MeJP	NA	NA
+PJ013308	KKKKK 	C30H62N10O6	658.4854	NA	PeJP	NA	NA
+MJ089091	Coenzyme Q; Coenzyme Q7 	C44H66O4	658.49611	NA	MeJP	NA	NA
+MJ089092	1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Nonadecanoyl, 18-Ac 	C41H70O6	658.517239	NA	MeJP	NA	NA
+MJ089093	12,14-Labdadiene-1,8,18-triol, 18-Eicosanoyl, 1-Ac 	C42H74O5	658.553625	NA	MeJP	NA	NA
+MJ089094	3,22,23-Trihydroxyergostan-6-one, 3-O-Tetradecanoyl 	C42H74O5	658.553625	NA	MeJP	NA	NA
+7464	coeliac toxic peptide	LGQGSFRPSQQN	658.81395	MH2+	Inhouse_peptide	NA	peptide
+2730	renin inhibitor	PHPFHFFVYK	658.8245	MH2+	Inhouse_peptide	NA	peptide
+MJ089095	3-[1-[[3-[[5-[(4-Azido-2-hydroxy-5-iodobenzoyl)amino]pentyl]hydroxyphosphinyl]-2-hydroxypropyl]amino]ethyl]benzoic acid 	C24H31IN5O7P	659.100578	NA	MeJP	NA	NA
+MJ089096	Cephamycin B; O-Sulfate 	C25H29N3O14S2	659.109094	NA	MeJP	NA	NA
+PJ013309	CCCCND 	C20H33N7O10S4	659.1172	NA	PeJP	NA	NA
+FL7AAGGA0014	Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)	C30H27O17	659.12482	197250-30-9	knapsack	NA	NA
+FL7AAGGS0007	Delphinidin 3'-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)	C30H27O17	659.12482	-	knapsack	NA	NA
+PJ013310	SCCCNM 	C21H37N7O9S4	659.1536	NA	PeJP	NA	NA
+PJ013311	GSSTCCC 	C21H37N7O11S3	659.1713	NA	PeJP	NA	NA
+PJ013312	GCCCQF 	C25H37N7O8S3	659.1866	NA	PeJP	NA	NA
+PJ013313	SSSSSCC 	C21H37N7O13S2	659.1891	NA	PeJP	NA	NA
+PJ013314	TCCCCK 	C22H41N7O8S4	659.19	NA	PeJP	NA	NA
+PJ013315	CDEMY 	C26H37N5O11S2	659.1931	NA	PeJP	NA	NA
+PJ013316	GCNDDH 	C23H33N9O12S	659.197	NA	PeJP	NA	NA
+C12049	Neocarzinostatin chromophore	C35H33NO12	659.2003	NA	KEGG	NA	NA
+PJ013317	GSCCQY 	C25H37N7O10S2	659.2044	NA	PeJP	NA	NA
+PJ013318	CEMMF 	C27H41N5O8S3	659.2117	NA	PeJP	NA	NA
+PJ013319	SPCCNH 	C24H37N9O9S2	659.2156	NA	PeJP	NA	NA
+PJ013320	SSSCNY 	C25H37N7O12S	659.2221	NA	PeJP	NA	NA
+PJ013321	GCCCKF 	C26H41N7O7S3	659.223	NA	PeJP	NA	NA
+PJ013322	PCDYY 	C30H37N5O10S	659.2261	NA	PeJP	NA	NA
+PJ013323	SEMMY 	C27H41N5O10S2	659.2295	NA	PeJP	NA	NA
+PJ013324	GSNDMH 	C24H37N9O11S	659.2334	NA	PeJP	NA	NA
+PJ013325	CNNFY 	C29H37N7O9S	659.2374	NA	PeJP	NA	NA
+PJ013326	GPNDEE 	C25H37N7O14	659.2399	NA	PeJP	NA	NA
+PJ013327	GSCCKY 	C26H41N7O9S2	659.2407	NA	PeJP	NA	NA
+PJ013328	DDHHH 	C26H33N11O10	659.2412	NA	PeJP	NA	NA
+PJ013329	GEEYY 	C30H37N5O12	659.2439	NA	PeJP	NA	NA
+PJ013330	PCMFY 	C31H41N5O7S2	659.2448	NA	PeJP	NA	NA
+PJ013331	CLMMY 	C28H45N5O7S3	659.2481	NA	PeJP	NA	NA
+PJ013332	SCQHW 	C28H37N9O8S	659.2486	NA	PeJP	NA	NA
+PJ013333	SSSNEH 	C24H37N9O13	659.2511	NA	PeJP	NA	NA
+PJ013334	NQMMH 	C25H41N9O8S2	659.252	NA	PeJP	NA	NA
+PJ013335	PNDEW 	C29H37N7O11	659.2551	NA	PeJP	NA	NA
+MJ089097	Antibiotic DF 4466A 	C33H41NO13	659.25779	NA	MeJP	NA	NA
+MJ089098	Carminomycin II 	C33H41NO13	659.25779	NA	MeJP	NA	NA
+PJ013336	SPPNDM 	C26H41N7O11S	659.2585	NA	PeJP	NA	NA
+PJ013337	EYYW 	C34H37N5O9	659.2591	NA	PeJP	NA	NA
+PJ013338	GNNNNQ 	C23H37N11O12	659.2623	NA	PeJP	NA	NA
+PJ013339	GGGGGNNQ 	C23H37N11O12	659.2624	NA	PeJP	NA	NA
+PJ013340	SPMYY 	C31H41N5O9S	659.2625	NA	PeJP	NA	NA
+PJ013341	CNMHR 	C24H41N11O7S2	659.2632	NA	PeJP	NA	NA
+MJ089099	Validamycin C 	C26H45NO18	659.263663	NA	MeJP	NA	NA
+MJ089100	Validamycin F 	C26H45NO18	659.263663	NA	MeJP	NA	NA
+MJ089101	Validoxylamine B; 6-Deoxy, 4-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C26H45NO18	659.263663	NA	MeJP	NA	NA
+MJ089102	Validoxylamine B; 6-Deoxy, 4-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C26H45NO18	659.263663	NA	MeJP	NA	NA
+PJ013342	GSSSHW 	C28H37N9O10	659.2664	NA	PeJP	NA	NA
+PJ013343	GSTQMH 	C25H41N9O10S	659.2697	NA	PeJP	NA	NA
+PJ013344	GGGGGPQM 	C25H41N9O10S	659.2698	NA	PeJP	NA	NA
+PJ013345	GPDWW 	C33H37N7O8	659.2704	NA	PeJP	NA	NA
+PJ013346	GPPTCW 	C30H41N7O8S	659.2738	NA	PeJP	NA	NA
+PJ013347	GPTQEE 	C26H41N7O13	659.2763	NA	PeJP	NA	NA
+PJ013348	LEMMH 	C27H45N7O8S2	659.2771	NA	PeJP	NA	NA
+PJ013349	TEHHH 	C27H37N11O9	659.2776	NA	PeJP	NA	NA
+PJ013350	PCFFF 	C35H41N5O6S	659.2778	NA	PeJP	NA	NA
+PJ013351	SVEYY 	C31H41N5O11	659.2803	NA	PeJP	NA	NA
+PJ013352	GSTCHR 	C24H41N11O9S	659.281	NA	PeJP	NA	NA
+PJ013353	CLMFF 	C32H45N5O6S2	659.2811	NA	PeJP	NA	NA
+PJ013354	GNHFW 	C32H37N9O7	659.2816	NA	PeJP	NA	NA
+3519	ACE inhibitor from as1-CN	AYFYP	659.283	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ013355	SCKHW 	C29H41N9O7S	659.285	NA	PeJP	NA	NA
+PJ013356	GSPDER 	C25H41N9O12	659.2875	NA	PeJP	NA	NA
+PJ013357	GPPCMR 	C26H45N9O7S2	659.2884	NA	PeJP	NA	NA
+PJ013358	PTQEW 	C30H41N7O10	659.2915	NA	PeJP	NA	NA
+PJ013359	GPVQEM 	C27H45N7O10S	659.2949	NA	PeJP	NA	NA
+PJ013360	APFYY 	C35H41N5O8	659.2955	NA	PeJP	NA	NA
+PJ013361	VMHHH 	C28H41N11O6S	659.2962	NA	PeJP	NA	NA
+PJ013362	SSSSHR 	C24H41N11O11	659.2987	NA	PeJP	NA	NA
+PJ013363	GGGGGAER 	C24H41N11O11	659.2988	NA	PeJP	NA	NA
+C14053	9,10-Dihydroergocornine methanesulfonate	C31H41N5O5	659.2989	NA	KEGG	NA	NA
+PJ013364	ALMYY 	C32H45N5O8S	659.2989	NA	PeJP	NA	NA
+PJ013365	SPDRW 	C29H41N9O9	659.3027	NA	PeJP	NA	NA
+PJ013366	GAAQQW 	C29H41N9O9	659.3028	NA	PeJP	NA	NA
+PJ013367	PQEMR 	C26H45N9O9S	659.3061	NA	PeJP	NA	NA
+PJ013368	APTWW 	C34H41N7O7	659.3068	NA	PeJP	NA	NA
+PJ013369	PVQMW 	C31H45N7O7S	659.3101	NA	PeJP	NA	NA
+PJ013370	GGPLMW 	C31H45N7O7S	659.3102	NA	PeJP	NA	NA
+PJ013371	APTDKE 	C27H45N7O12	659.3126	NA	PeJP	NA	NA
+PJ013372	GPTKEE 	C27H45N7O12	659.3127	NA	PeJP	NA	NA
+PJ013373	GPPKMM 	C28H49N7O7S2	659.3135	NA	PeJP	NA	NA
+PJ013374	GNQRW 	C28H41N11O8	659.314	NA	PeJP	NA	NA
+PJ013375	TTLYY 	C32H45N5O10	659.3167	NA	PeJP	NA	NA
+PJ013376	PCERR 	C25H45N11O8S	659.3174	NA	PeJP	NA	NA
+PJ013377	APMRW 	C30H45N9O6S	659.3214	NA	PeJP	NA	NA
+PJ013378	VQEER 	C26H45N9O11	659.3239	NA	PeJP	NA	NA
+PJ013379	PNHHR 	C27H41N13O7	659.3252	NA	PeJP	NA	NA
+PJ013380	PTKEW 	C31H45N7O9	659.3279	NA	PeJP	NA	NA
+MJ089103	4-Methylaconitane-1,6,8,13,14,15,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-methoxybenzoyl), 8-Ac 	C35H49NO11	659.330561	NA	MeJP	NA	NA
+MJ089104	Veracevine; O3-(4-Hydroxy-3-methoxybenzoyl) 	C35H49NO11	659.330561	NA	MeJP	NA	NA
+MJ089105	Yunaconitine 	C35H49NO11	659.330561	NA	MeJP	NA	NA
+PJ013381	GPVKEM 	C28H49N7O9S	659.3313	NA	PeJP	NA	NA
+PJ013382	ALFFY 	C36H45N5O7	659.3319	NA	PeJP	NA	NA
+HMDB02429	(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid	C32H53NO11S	659.33392	http://www.hmdb.ca/metabolites/HMDB02429	HMDB	NA	NA
+HMDB02429	(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid	C32H53NO11S	659.33392	HMDB02429	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02429	(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid	C32H53NO11S	659.333923	NA	HMDB2010	NA	NA
+PJ013383	AEERR 	C25H45N11O10	659.3351	NA	PeJP	NA	NA
+PJ013384	GLERW 	C30H45N9O8	659.3391	NA	PeJP	NA	NA
+PJ013385	GGGGVKW 	C30H45N9O8	659.3392	NA	PeJP	NA	NA
+PJ013386	PKEMR 	C27H49N9O8S	659.3425	NA	PeJP	NA	NA
+PJ013387	GVLWW 	C35H45N7O6	659.3432	NA	PeJP	NA	NA
+PJ013388	SNQRR 	C24H45N13O9	659.3463	NA	PeJP	NA	NA
+PJ013389	GGSQRR 	C24H45N13O9	659.3464	NA	PeJP	NA	NA
+PJ013390	PVKMW 	C32H49N7O6S	659.3465	NA	PeJP	NA	NA
+PJ013391	AALKEE 	C28H49N7O11	659.349	NA	PeJP	NA	NA
+PJ013392	GNKRW 	C29H45N11O7	659.3504	NA	PeJP	NA	NA
+PJ013393	PTMRR 	C26H49N11O7S	659.3537	NA	PeJP	NA	NA
+PJ013394	LRWW 	C34H45N9O5	659.3544	NA	PeJP	NA	NA
+PJ013395	VKEER 	C27H49N9O10	659.3603	NA	PeJP	NA	NA
+PJ013396	VVKEW 	C32H49N7O8	659.3643	NA	PeJP	NA	NA
+MJ089106	Antibiotic L 681217 	C36H53NO10	659.366946	NA	MeJP	NA	NA
+MJ089107	Ganefromycin ?; 23?-Hydroxy 	C36H53NO10	659.366946	NA	MeJP	NA	NA
+PJ013397	APTLKM 	C29H53N7O8S	659.3677	NA	PeJP	NA	NA
+PJ013398	SLERR 	C26H49N11O9	659.3715	NA	PeJP	NA	NA
+PJ013399	SVLRW 	C31H49N9O7	659.3755	NA	PeJP	NA	NA
+MJ089108	12-Hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-10-[(2,3,4-trimethoxyphenyl)methyl]-2-oxa-5,8,14-triazapentadecan-15-oic acid; tert-Butyl ester 	C35H53N3O9	659.37818	NA	MeJP	NA	NA
+PJ013400	LLQMR 	C28H53N9O7S	659.3789	NA	PeJP	NA	NA
+PJ013401	SNKRR 	C25H49N13O8	659.3827	NA	PeJP	NA	NA
+PJ013402	GTLLKE 	C29H53N7O10	659.3854	NA	PeJP	NA	NA
+PJ013403	VVMRR 	C27H53N11O6S	659.3901	NA	PeJP	NA	NA
+PJ013404	ASTLLR 	C28H53N9O9	659.3966	NA	PeJP	NA	NA
+PJ013405	GTTLLR 	C28H53N9O9	659.3967	NA	PeJP	NA	NA
+PJ013406	TLLKW 	C33H53N7O7	659.4007	NA	PeJP	NA	NA
+MJ089109	Antascomicin; Antascomicin A 	C37H57NO9	659.403332	NA	MeJP	NA	NA
+PJ013407	ACLLLK 	C30H57N7O7S	659.404	NA	PeJP	NA	NA
+PJ013408	GVLLKM 	C30H57N7O7S	659.4041	NA	PeJP	NA	NA
+PJ013409	TQKKR 	C27H53N11O8	659.4079	NA	PeJP	NA	NA
+PJ013410	AKKKW 	C32H53N9O6	659.4119	NA	PeJP	NA	NA
+PJ013411	LLKMR 	C29H57N9O6S	659.4153	NA	PeJP	NA	NA
+PJ013412	SSLLLK 	C30H57N7O9	659.4218	NA	PeJP	NA	NA
+C13929	Argiotoxin 659	C31H53N11O5	659.4231	NA	KEGG	NA	NA
+C13930	Transferred to D02165	C31H53N11O5	659.4231	NA	KEGG	NA	NA
+MJ089110	Argiotoxin 659 	C31H53N11O5	659.423113	NA	MeJP	NA	NA
+PJ013413	KKKKE 	C29H57N9O8	659.433	NA	PeJP	NA	NA
+C08922	Aridanin	C38H61NO8	659.4397	NA	KEGG	NA	NA
+MJ089111	Lansiolic acid; 3-(N-Acetyl-?-D-glucosaminide) 	C38H61NO8	659.439717	NA	MeJP	NA	NA
+MJ089112	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-(2-Acetamido-2-deoxy-?-D-glucopyranoside) 	C38H61NO8	659.439717	NA	MeJP	NA	NA
+PJ013414	TKKKR 	C28H57N11O7	659.4443	NA	PeJP	NA	NA
+HMDB08858	PE(14:1(9Z)/16:1(9Z))	C35H66NO8P	659.452576	NA	HMDB2010	NA	NA
+HMDB08954	PE(16:1(9Z)/14:1(9Z))	C35H66NO8P	659.452576	NA	HMDB2010	NA	NA
+MJ089113	Acidissiminol; O-Octadecanoyl 	C43H65NO4	659.491359	NA	MeJP	NA	NA
+MJ089114	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(ornithylamino) 	C40H73N3O4	659.560107	NA	MeJP	NA	NA
+MJ089115	myo-Inositol; Hexaphosphate 	C6H18O24P6	659.86137	NA	MeJP	NA	NA
+MJ089116	myo-Inositol hexakisphosphate 	C6H18O24P6	659.86137	NA	MeJP	NA	NA
+MetaCyc04017	diphosphoinositol tetrakisphosphate [5-PP-InsP4;]	C6H18O24P6	659.861371	NA	metacyc	NA	NA
+HMDB03502	Myo-inositol hexakisphosphate	C6H18O24P6	659.861389	NA	HMDB2010	NA	NA
+HMDB03502	myo-Inositol hexakisphosphate	C6H18O24P6	659.86139	http://www.hmdb.ca/metabolites/HMDB03502	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03502	myo-Inositol hexakisphosphate	C6H18O24P6	659.86139	http://www.hmdb.ca/metabolites/HMDB03502	HMDB	NA	NA
+HMDB06230	Diphosphoinositol tetrakisphosphate	C6H18O24P6	659.86139	http://www.hmdb.ca/metabolites/HMDB06230	HMDB	NA	NA
+HMDB03502	myo-Inositol hexakisphosphate	C6H18O24P6	659.86139	http://www.hmdb.ca/metabolites/HMDB03502	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03502	myo-Inositol hexakisphosphate	C6H18O24P6	659.86139	HMDB03502	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06230	Diphosphoinositol tetrakisphosphate	C6H18O24P6	659.86139	HMDB06230	PFEM_hmdb_metabocards_official	NA	NA
+C01204	myo-Inositol hexakisphosphate	C6H18O24P6	659.8614	NA	KEGG	NA	NA
+PJ013415	CCCCDD 	C20H32N6O11S4	660.1012	NA	PeJP	NA	NA
+PJ013416	SCCCDM 	C21H36N6O10S4	660.1376	NA	PeJP	NA	NA
+PJ013417	ACCCMM 	C22H40N6O7S5	660.1562	NA	PeJP	NA	NA
+MJ089117	3,4-Di-O-caffeoylquinic acid; 5-O-(3-Hydroxy-3-methylglutaroyl) 	C31H32O16	660.169034	NA	MeJP	NA	NA
+MJ089118	3,5-Di-O-caffeoylquinic acid; 4-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl) 	C31H32O16	660.169034	NA	MeJP	NA	NA
+PJ013418	GCCCEF 	C25H36N6O9S3	660.1706	NA	PeJP	NA	NA
+MJ089119	Hexafluorenium(2+); Dibromide 	C36H42Br2N2	660.171474	NA	MeJP	NA	NA
+PJ013419	SSCCMM 	C22H40N6O9S4	660.174	NA	PeJP	NA	NA
+PJ013420	GCDDDH 	C23H32N8O13S	660.181	NA	PeJP	NA	NA
+FL63ACNN0001	Isophylloflavanine	C35H32O13	660.18429	124902-14-3	knapsack	NA	NA
+FL63ACNN0002	Phylloflavanine	C35H32O13	660.18429	113296-20-1	knapsack	NA	NA
+MJ089120	Isophylloflavanine 	C35H32O13	660.184291	NA	MeJP	NA	NA
+MJ089121	Phylloflavanine 	C35H32O13	660.184291	NA	MeJP	NA	NA
+MJ089122	Pseudotsuganol 	C35H32O13	660.184291	NA	MeJP	NA	NA
+PJ013421	CCCFW 	C29H36N6O6S3	660.1859	NA	PeJP	NA	NA
+PJ013422	GSCCEY 	C25H36N6O11S2	660.1884	NA	PeJP	NA	NA
+PJ013423	SPCCDH 	C24H36N8O10S2	660.1996	NA	PeJP	NA	NA
+PJ013424	SCCYW 	C29H36N6O8S2	660.2036	NA	PeJP	NA	NA
+C12381	Elloramycin A	C32H36O15	660.2054	NA	KEGG	NA	NA
+MJ089123	1,7-Bis(3,4-dihydroxyphenyl)-5-hydroxy-3-heptanone, 5-O-[6-O-(3,4,5-Trihydroxybenzoyl)-?-D-glucopyranoside] 	C32H36O15	660.20542	NA	MeJP	NA	NA
+MJ089124	Elloramycin A 	C32H36O15	660.20542	NA	MeJP	NA	NA
+PJ013425	SSSCDY 	C25H36N6O13S	660.2061	NA	PeJP	NA	NA
+PJ013426	CNMMY 	C26H40N6O8S3	660.207	NA	PeJP	NA	NA
+PJ013427	GCCNQH 	C23H36N10O9S2	660.2108	NA	PeJP	NA	NA
+PJ013428	GGGCCQH 	C23H36N10O9S2	660.2109	NA	PeJP	NA	NA
+PJ013429	GSDDMH 	C24H36N8O12S	660.2174	NA	PeJP	NA	NA
+PJ013430	APCCMH 	C25H40N8O7S3	660.2182	NA	PeJP	NA	NA
+MJ089125	Tricholomenyne D; 1-Ketone 	C36H36O12	660.220676	NA	MeJP	NA	NA
+MJ089126	Tricholomenyne E 	C36H36O12	660.220676	NA	MeJP	NA	NA
+PJ013431	CNDFY 	C29H36N6O10S	660.2214	NA	PeJP	NA	NA
+PJ013432	GPDDEE 	C25H36N6O15	660.2239	NA	PeJP	NA	NA
+PJ013433	GSTCMY 	C26H40N6O10S2	660.2248	NA	PeJP	NA	NA
+PJ013434	SSCNNH 	C23H36N10O11S	660.2286	NA	PeJP	NA	NA
+MJ089127	Cholestane-2,3,26-triol, Trisulfate 	C27H48O12S3	660.230789	NA	MeJP	NA	NA
+MJ089128	Cholestane-2,3,6-triol, Tri-O-sulfate 	C27H48O12S3	660.230789	NA	MeJP	NA	NA
+MJ089129	Vincosamide; 3'-(3,4-Dihydroxycinnamoyl) 	C35H36N2O11	660.23191	NA	MeJP	NA	NA
+PJ013435	SCEHW 	C28H36N8O9S	660.2326	NA	PeJP	NA	NA
+PJ013436	SSSDEH 	C24H36N8O14	660.2351	NA	PeJP	NA	NA
+MJ089130	Lespedezol B3 	C40H36O9	660.235932	NA	MeJP	NA	NA
+PJ013437	NEMMH 	C25H40N8O9S2	660.236	NA	PeJP	NA	NA
+PJ013438	PDDEW 	C29H36N6O12	660.2391	NA	PeJP	NA	NA
+PJ013439	CNMFF 	C30H40N6O7S2	660.24	NA	PeJP	NA	NA
+FL5FABGI0005	Anhydroicaritin 3-rhamnosyl-(1->2)-rhamnoside	C33H40O14	660.2418	135293-13-9	knapsack	NA	NA
+MJ089131	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C33H40O14	660.241805	NA	MeJP	NA	NA
+PJ013440	SSSSMY 	C26H40N6O12S	660.2425	NA	PeJP	NA	NA
+PJ013441	GNNNNE 	C23H36N10O13	660.2464	NA	PeJP	NA	NA
+PJ013442	CDMHR 	C24H40N10O8S2	660.2472	NA	PeJP	NA	NA
+PJ013443	NDEHF 	C28H36N8O11	660.2504	NA	PeJP	NA	NA
+MJ089132	Lyngbyaloside 	C31H49BrO10	660.25091	NA	MeJP	NA	NA
+PJ013444	GMMHW 	C29H40N8O6S2	660.2512	NA	PeJP	NA	NA
+MJ089133	Dolastatin 3 	C29H40N8O6S2	660.251222	NA	MeJP	NA	NA
+MJ089134	Mappicine, 9-Methoxy, O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H40N2O13	660.253039	NA	MeJP	NA	NA
+PJ013445	APCNQE 	C25H40N8O11S	660.2537	NA	PeJP	NA	NA
+MJ089135	Cephabacin H; Cephabacin H4 	C25H40N8O11S	660.253724	NA	MeJP	NA	NA
+PJ013446	GSTEMH 	C25H40N8O11S	660.2538	NA	PeJP	NA	NA
+PJ013447	CQHHH 	C26H36N12O7S	660.2551	NA	PeJP	NA	NA
+MJ089136	Calyflorenone B; 4-Me ether 	C37H40O11	660.257062	NA	MeJP	NA	NA
+PJ013448	GQMYY 	C30H40N6O9S	660.2578	NA	PeJP	NA	NA
+PJ013449	GPTEEE 	C26H40N6O14	660.2603	NA	PeJP	NA	NA
+PJ013450	GPPEMM 	C27H44N6O9S2	660.2611	NA	PeJP	NA	NA
+PJ013451	APPDMM 	C27H44N6O9S2	660.2612	NA	PeJP	NA	NA
+PJ013452	NNNNW 	C27H36N10O10	660.2616	NA	PeJP	NA	NA
+PJ013453	GPCNDR 	C24H40N10O10S	660.265	NA	PeJP	NA	NA
+PJ013454	GDHFW 	C32H36N8O8	660.2656	NA	PeJP	NA	NA
+PJ013455	STMHW 	C29H40N8O8S	660.269	NA	PeJP	NA	NA
+PJ013456	SSTTEH 	C25H40N8O13	660.2715	NA	PeJP	NA	NA
+PJ013457	DKMMH 	C26H44N8O8S2	660.2724	NA	PeJP	NA	NA
+PJ013458	GSSHHH 	C26H36N12O9	660.2729	NA	PeJP	NA	NA
+PJ013459	PTEEW 	C30H40N6O11	660.2755	NA	PeJP	NA	NA
+PJ013460	PPMMW 	C31H44N6O6S2	660.2764	NA	PeJP	NA	NA
+MJ089137	Taccalonolide B 	C34H44O13	660.278191	NA	MeJP	NA	NA
+MJ089138	Taccalonolide F 	C34H44O13	660.278191	NA	MeJP	NA	NA
+MJ089139	Taccalonolide I 	C34H44O13	660.278191	NA	MeJP	NA	NA
+MJ089140	Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 3-O-de-Ac, 12-Ac 	C34H44O13	660.278191	NA	MeJP	NA	NA
+PJ013461	GPVEEM 	C27H44N6O11S	660.2789	NA	PeJP	NA	NA
+PJ013462	APPCHH 	C28H40N10O7S	660.2803	NA	PeJP	NA	NA
+PJ013463	NNEER 	C24H40N10O12	660.2827	NA	PeJP	NA	NA
+PJ013464	GGNEER 	C24H40N10O12	660.2828	NA	PeJP	NA	NA
+PJ013465	SMMHR 	C25H44N10O7S2	660.2836	NA	PeJP	NA	NA
+MJ089141	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-D-arabino-hexose; ?-D-Pyranose-form, Me glycoside, 3,3'-di-Me 	C27H48O18	660.284064	NA	MeJP	NA	NA
+PJ013466	AQQEW 	C29H40N8O10	660.2868	NA	PeJP	NA	NA
+PJ013467	PEEMR 	C26H44N8O10S	660.2901	NA	PeJP	NA	NA
+PJ013468	GGGPDKM 	C26H44N8O10S	660.2902	NA	PeJP	NA	NA
+PJ013469	PPDFW 	C34H40N6O8	660.2908	NA	PeJP	NA	NA
+PJ013470	CKHHH 	C27H40N12O6S	660.2915	NA	PeJP	NA	NA
+PJ013471	GSNNNR 	C23H40N12O11	660.294	NA	PeJP	NA	NA
+PJ013472	GKMYY 	C31H44N6O8S	660.2941	NA	PeJP	NA	NA
+PJ013473	PVEMW 	C31H44N6O8S	660.2942	NA	PeJP	NA	NA
+PJ013474	AALEEE 	C27H44N6O13	660.2967	NA	PeJP	NA	NA
+PJ013475	SPPVMM 	C28H48N6O8S2	660.2975	NA	PeJP	NA	NA
+PJ013476	GNERW 	C28H40N10O9	660.298	NA	PeJP	NA	NA
+PJ013477	GSPNMR 	C25H44N10O9S	660.3014	NA	PeJP	NA	NA
+PJ013478	AAQWW 	C33H40N8O7	660.302	NA	PeJP	NA	NA
+PJ013479	PCQKW 	C30H44N8O7S	660.3054	NA	PeJP	NA	NA
+PJ013480	VEEER 	C26H44N8O12	660.3079	NA	PeJP	NA	NA
+7445	coeliac toxic peptide	SSQVSFQPSQLN	660.30845	MH2+	Inhouse_peptide	NA	peptide
+PJ013481	PDHHR 	C27H40N12O8	660.3092	NA	PeJP	NA	NA
+PJ013482	VVEEW 	C31H44N6O10	660.3119	NA	PeJP	NA	NA
+PJ013483	NRWW 	C32H40N10O6	660.3132	NA	PeJP	NA	NA
+PJ013484	GGRWW 	C32H40N10O6	660.3133	NA	PeJP	NA	NA
+MJ089142	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2-Bis(2-methylpropanoyl), 9-benzoyl, 6,14-di-Ac 	C35H48O12	660.314577	NA	MeJP	NA	NA
+PJ013485	APTLEM 	C28H48N6O10S	660.3153	NA	PeJP	NA	NA
+C03263	Coproporphyrinogen III	C36H44N4O8	660.3159	NA	KEGG	NA	NA
+C05768	Coproporphyrinogen I	C36H44N4O8	660.3159	NA	KEGG	NA	NA
+MJ089143	Coproporphyrinogen I 	C36H44N4O8	660.315914	NA	MeJP	NA	NA
+MetaCyc04018	coproporphyrinogen III [coproporphyrinogen;]	C36H44N4O8	660.315914	2624-63-7	metacyc	NA	NA
+MetaCyc04019	coproporphyrinogen I []	C36H44N4O8	660.315914	NA	metacyc	NA	NA
+HMDB01261	Coproporphyrinogen III	C36H44N4O8	660.315918	NA	HMDB2010	NA	NA
+HMDB02158	Coproporphyrinogen I	C36H44N4O8	660.315918	NA	HMDB2010	NA	NA
+HMDB01261	Coproporphyrinogen III	C36H44N4O8	660.31592	http://www.hmdb.ca/metabolites/HMDB01261	HMDB	NA	NA
+HMDB02158	Coproporphyrinogen I	C36H44N4O8	660.31592	http://www.hmdb.ca/metabolites/HMDB02158	HMDB	NA	NA
+HMDB01261	Coproporphyrinogen III	C36H44N4O8	660.31592	HMDB01261	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02158	Coproporphyrinogen I	C36H44N4O8	660.31592	HMDB02158	PFEM_hmdb_metabocards_official	NA	NA
+PJ013486	AMHFR 	C29H44N10O6S	660.3166	NA	PeJP	NA	NA
+PJ013487	NDKER 	C25H44N10O11	660.3191	NA	PeJP	NA	NA
+PJ013488	AQKEW 	C30H44N8O9	660.3231	NA	PeJP	NA	NA
+PJ013489	GAAKEW 	C30H44N8O9	660.3232	NA	PeJP	NA	NA
+PJ013490	GPTQKM 	C27H48N8O9S	660.3265	NA	PeJP	NA	NA
+PJ013491	PPVYW 	C35H44N6O7	660.3272	NA	PeJP	NA	NA
+PJ013492	SNERR 	C24H44N12O10	660.3304	NA	PeJP	NA	NA
+PJ013493	GPPLMF 	C32H48N6O7S	660.3306	NA	PeJP	NA	NA
+MJ089144	Ervafoline; 19'-Hydroxy 	C40H44N4O5	660.33117	NA	MeJP	NA	NA
+MJ089145	Pleiocorine; N-De-Me 	C40H44N4O5	660.33117	NA	MeJP	NA	NA
+PJ013494	PTTTLE 	C28H48N6O12	660.333	NA	PeJP	NA	NA
+PJ013495	GTLLEE 	C28H48N6O12	660.3331	NA	PeJP	NA	NA
+PJ013496	GPLLMM 	C29H52N6O7S2	660.3339	NA	PeJP	NA	NA
+PJ013497	GDKRW 	C29H44N10O8	660.3344	NA	PeJP	NA	NA
+HMDB02318	Capsianoside I	C32H52O14	660.33569	http://www.hmdb.ca/metabolites/HMDB02318	HMDB	NA	NA
+HMDB02318	Capsianoside I	C32H52O14	660.33569	HMDB02318	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02318	Capsianoside I	C32H52O14	660.335693	NA	HMDB2010	NA	NA
+MJ089146	13,16-Dihydroxy-19-kauranoic acid, 13-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C32H52O14	660.335706	NA	MeJP	NA	NA
+MJ089147	16,17,19-Kauranetriol, 19-Carboxylic acid, 16-O-?-D-glucopyranoside, 19-O-?-D-glucopyranosyl ester 	C32H52O14	660.335706	NA	MeJP	NA	NA
+MJ089148	3,13-Dihydroxy-1,6,10,14-phytatetraen-16-oic acid, 3-O-[?-D-Glucopyranosyl(1?2)-D-glucopyranoside] 	C32H52O14	660.335706	NA	MeJP	NA	NA
+MJ089149	Lepranthin 	C32H52O14	660.335706	NA	MeJP	NA	NA
+PJ013498	VQQMR 	C26H48N10O8S	660.3377	NA	PeJP	NA	NA
+PJ013499	GGLQMR 	C26H48N10O8S	660.3378	NA	PeJP	NA	NA
+PJ013500	AAKWW 	C34H44N8O6	660.3384	NA	PeJP	NA	NA
+PJ013501	PCKKW 	C31H48N8O6S	660.3418	NA	PeJP	NA	NA
+PJ013502	QKKEE 	C27H48N8O11	660.3443	NA	PeJP	NA	NA
+PJ013503	GSRRW 	C28H44N12O7	660.3456	NA	PeJP	NA	NA
+PJ013504	TLLEW 	C32H48N6O9	660.3483	NA	PeJP	NA	NA
+PJ013505	AQMRR 	C25H48N12O7S	660.349	NA	PeJP	NA	NA
+MJ089150	15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl (E-), 6-O-?-D-glucopyranoside 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089151	15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl(Z-), 6-O-?-D-glucopyranoside 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089152	15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl(E-), 6-O-?-D-glucopyranoside 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089153	15,16-Epoxy-1,6,16-trihydroxy-18-clerodanal, 16-Me ether, 1-cinnamoyl(Z-), 6-O-?-D-glucopyranoside 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089154	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[4-Deoxy-?-L-threo-hex-4-enopyranuronoside] 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089155	Cucurbitacin S; 2-O-?-D-Glucopyranoside 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089156	Resiniferonol; 5?-Hydroxy, 12?-acetoxy, 6?,7?-epoxide, 14-(2E,4E-tetradecadienoyl) 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089157	Reveromycin A 	C36H52O11	660.350962	NA	MeJP	NA	NA
+MJ089158	Reveromycin B 	C36H52O11	660.350962	NA	MeJP	NA	NA
+PJ013506	GVLLEM 	C29H52N6O9S	660.3517	NA	PeJP	NA	NA
+PJ013507	TQKER 	C26H48N10O10	660.3555	NA	PeJP	NA	NA
+PJ013508	AKKEW 	C31H48N8O8	660.3595	NA	PeJP	NA	NA
+PJ013509	ACRRR 	C24H48N14O6S	660.3602	NA	PeJP	NA	NA
+PJ013510	LLEMR 	C28H52N8O8S	660.3629	NA	PeJP	NA	NA
+PJ013511	PVLFW 	C36H48N6O6	660.3636	NA	PeJP	NA	NA
+MJ089159	Gambogenin; Di-Me acetal 	C40H52O8	660.366218	NA	MeJP	NA	NA
+MJ089160	Rosmanoyl carnosate 	C40H52O8	660.366218	NA	MeJP	NA	NA
+PJ013512	SDKRR 	C25H48N12O9	660.3667	NA	PeJP	NA	NA
+PJ013513	GATTRR 	C25H48N12O9	660.3668	NA	PeJP	NA	NA
+PJ013514	VLLMW 	C33H52N6O6S	660.3669	NA	PeJP	NA	NA
+MJ089161	Accedinisine; 3'-Hydroxy 	C41H48N4O4	660.367556	NA	MeJP	NA	NA
+MJ089162	Umbellamine 	C41H48N4O4	660.367556	NA	MeJP	NA	NA
+MJ089163	Villalstonine 	C41H48N4O4	660.367556	NA	MeJP	NA	NA
+PJ013515	SSLLLE 	C29H52N6O11	660.3694	NA	PeJP	NA	NA
+PJ013516	ATKRW 	C30H48N10O7	660.3708	NA	PeJP	NA	NA
+PJ013517	VQKMR 	C27H52N10O7S	660.3741	NA	PeJP	NA	NA
+PJ013518	GGLKMR 	C27H52N10O7S	660.3742	NA	PeJP	NA	NA
+PJ013519	SSRRR 	C24H48N14O8	660.378	NA	PeJP	NA	NA
+PJ013520	KKKEE 	C28H52N8O10	660.3807	NA	PeJP	NA	NA
+PJ013521	VLHHR 	C29H48N12O6	660.382	NA	PeJP	NA	NA
+PJ013522	GPVLLY 	C33H52N6O8	660.3847	NA	PeJP	NA	NA
+PJ013523	AKMRR 	C26H52N12O6S	660.3854	NA	PeJP	NA	NA
+MJ089164	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-(3-Acetyl-?-D-xylopyranoside) 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089165	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-D-xylopyranoside 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089166	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-L-arabinopyranoside 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089167	24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-?-D-xylopyranoside 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089168	24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-?-L-arabinopyranoside 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089169	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-[2-O-Acetyl-?-D-xylopyranoside] 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089170	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-[3-O-Acetyl-?-L-arabinopyranoside] 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089171	Acteol; 26-Deoxy, 12-Ac, 3-O-?-D-xylopyranoside 	C37H56O10	660.387348	NA	MeJP	NA	NA
+MJ089172	Cumindyoside A 	C37H56O10	660.387348	NA	MeJP	NA	NA
+PJ013524	ATLLLM 	C30H56N6O8S	660.3881	NA	PeJP	NA	NA
+PJ013525	TKKER 	C27H52N10O9	660.3919	NA	PeJP	NA	NA
+PJ013526	SLKKW 	C32H52N8O7	660.3959	NA	PeJP	NA	NA
+PJ013527	AALKKM 	C29H56N8O7S	660.3993	NA	PeJP	NA	NA
+MJ089173	Glabretal; 3-Cinnamoyl 	C41H56O7	660.402604	NA	MeJP	NA	NA
+MJ089174	Meliavolen 	C41H56O7	660.402604	NA	MeJP	NA	NA
+PJ013528	TTKRR 	C26H52N12O8	660.4031	NA	PeJP	NA	NA
+PJ013529	TTTLLL 	C30H56N6O10	660.4058	NA	PeJP	NA	NA
+PJ013530	VKKMR 	C28H56N10O6S	660.4105	NA	PeJP	NA	NA
+PJ013531	ATTLKK 	C29H56N8O9	660.417	NA	PeJP	NA	NA
+PJ013532	GVLLLF 	C34H56N6O7	660.4211	NA	PeJP	NA	NA
+C09153	12-O-Palmitoyl-16-hydroxyphorbol 13-acetate	C38H60O9	660.4237	NA	KEGG	NA	NA
+MJ089175	3,5,11,14,19-Pentahydroxybufa-20,22-dienolide, 3-(14-Hydroxytetradecanoyl) 	C38H60O9	660.423733	NA	MeJP	NA	NA
+MJ089176	4,5-Epoxy-8,15-dihydroxy-1(10),11(13)-germacradien-12,6-olide, 8-O-[4-(3S-Hydroxyoctadecanoyloxy)-2-methyl-2E-butenoyl] 	C38H60O9	660.423733	NA	MeJP	NA	NA
+MJ089177	4,9,12,13,16,20-Hexahydroxy-1,6-tigliadien-3-one, 12-Hexadecanoyl, 13-Ac 	C38H60O9	660.423733	NA	MeJP	NA	NA
+MJ089178	Concanamycin G 	C38H60O9	660.423733	NA	MeJP	NA	NA
+MJ089179	Saccharolidin A 	C38H60O9	660.423733	NA	MeJP	NA	NA
+PJ013533	LLLFR 	C33H56N8O6	660.4323	NA	PeJP	NA	NA
+HMDB07353	DG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H64O5	660.475403	NA	HMDB2010	NA	NA
+HMDB07578	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H64O5	660.475403	NA	HMDB2010	NA	NA
+HMDB07773	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H64O5	660.475403	NA	HMDB2010	NA	NA
+MJ089180	3,6-Dihydroxy-10-methylundecanoic acid, Bis(3S,6R-dihydroxy-10-methylundecanoyl) 	C36H68O10	660.481248	NA	MeJP	NA	NA
+3648	NA	KLKLLLLLKLK~	660.49	MH2+	Inhouse_peptide	NA	peptide
+MJ089181	11,12-Bis(7-drimen-11-oxy)-11,12-epoxy-7-drimene 	C45H72O3	660.548146	NA	MeJP	NA	NA
+MJ089182	4,11,23,35,42-Hexatetracontapentaene-1,45-diyne-3,44-diol 	C46H76O2	660.584531	NA	MeJP	NA	NA
+MJ089183	Ergost-5-en-3-ol, 9Z,12Z,15Z-Octadecatrienoyl 	C46H76O2	660.584531	NA	MeJP	NA	NA
+7744	ACE inhibitor from bullfrog (R,catesbeiana)	GAAELPCSADWW	660.76345	MH2+	Inhouse_peptide	NA	peptide
+MJ089184	Cefcanel; O-L-Alanyl, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester 	C27H27N5O9S3	661.097089	NA	MeJP	NA	NA
+PJ013534	CCCCCQ 	C20H35N7O8S5	661.1151	NA	PeJP	NA	NA
+PJ013535	GSSCCCC 	C20H35N7O10S4	661.1329	NA	PeJP	NA	NA
+PJ013536	CCCCCK 	C21H39N7O7S5	661.1515	NA	PeJP	NA	NA
+PJ013537	GCCCNY 	C24H35N7O9S3	661.1659	NA	PeJP	NA	NA
+PJ013538	CDMMY 	C26H39N5O9S3	661.191	NA	PeJP	NA	NA
+PJ013539	GCCNEH 	C23H35N9O10S2	661.1949	NA	PeJP	NA	NA
+PJ013540	CDDFY 	C29H35N5O11S	661.2054	NA	PeJP	NA	NA
+PJ013541	CMMMF 	C27H43N5O6S4	661.2096	NA	PeJP	NA	NA
+PJ013542	CCNHW 	C27H35N9O7S2	661.2101	NA	PeJP	NA	NA
+C03580	3''-Adenylylspectinomycin	C24H36N7O13P	661.2109	NA	KEGG	NA	NA
+C03581	3'-Phosphomononucleotides	C5H10O7PR	661.2109	NA	KEGG	NA	NA
+PJ013543	SSCNDH 	C23H35N9O12S	661.2126	NA	PeJP	NA	NA
+PJ013544	SPNDDD 	C24H35N7O15	661.2191	NA	PeJP	NA	NA
+PJ013545	DEMMH 	C25H39N7O10S2	661.22	NA	PeJP	NA	NA
+PJ013546	SDDYY 	C29H35N5O13	661.2231	NA	PeJP	NA	NA
+PJ013547	CDMFF 	C30H39N5O8S2	661.224	NA	PeJP	NA	NA
+PJ013548	SMMMY 	C27H43N5O8S3	661.2274	NA	PeJP	NA	NA
+PJ013549	GNNNDE 	C23H35N9O14	661.2304	NA	PeJP	NA	NA
+PJ013550	GSCQMH 	C24H39N9O9S2	661.2312	NA	PeJP	NA	NA
+PJ013551	GCCDKH 	C24H39N9O9S2	661.2313	NA	PeJP	NA	NA
+C01138	Streptomycin 6-phosphate	C21H40N7O15P	661.232	NA	KEGG	NA	NA
+C01139	[Acetyl-CoA carboxylase]	C4H6N2O3R2	661.232	NA	KEGG	NA	NA
+C01140	alpha-D-Glucosyl-protein	C6H11O6R	661.232	NA	KEGG	NA	NA
+C01141	beta-Adrenergic receptor	C4H6N2O3R2	661.232	NA	KEGG	NA	NA
+C03731	Streptomycin 3''-phosphate	C21H40N7O15P	661.232	NA	KEGG	NA	NA
+MJ089185	Streptomycin 6-phosphate 	C21H40N7O15P	661.232	NA	MeJP	NA	NA
+MetaCyc04020	streptomycin 3''-phosphate []	C21H40N7O15P1	661.232	NA	metacyc	NA	NA
+PJ013552	DDEHF 	C28H35N7O12	661.2344	NA	PeJP	NA	NA
+PJ013553	GPPCCW 	C29H39N7O7S2	661.2353	NA	PeJP	NA	NA
+PJ013554	GPNDEM 	C25H39N7O12S	661.2378	NA	PeJP	NA	NA
+PJ013555	CEHHH 	C26H35N11O8S	661.2391	NA	PeJP	NA	NA
+PJ013556	GEMYY 	C30H39N5O10S	661.2418	NA	PeJP	NA	NA
+PJ013557	GSCCHR 	C23H39N11O8S2	661.2425	NA	PeJP	NA	NA
+MJ089186	Adiposin 2 	C25H43NO19	661.242928	NA	MeJP	NA	NA
+MJ089187	NS Antibiotic complex; NS2 	C25H43NO19	661.242928	NA	MeJP	NA	NA
+MJ089188	NS Antibiotic complex; NS3 	C25H43NO19	661.242928	NA	MeJP	NA	NA
+PJ013558	NNNDW 	C27H35N9O11	661.2456	NA	PeJP	NA	NA
+PJ013559	GGGGGGDW 	C27H35N9O11	661.2457	NA	PeJP	NA	NA
+PJ013560	GPCDDR 	C24H39N9O11S	661.249	NA	PeJP	NA	NA
+PJ013561	PNDMW 	C29H39N7O9S	661.253	NA	PeJP	NA	NA
+PJ013562	QQEEE 	C25H39N7O14	661.2555	NA	PeJP	NA	NA
+PJ013563	SPPCQM 	C26H43N7O9S2	661.2564	NA	PeJP	NA	NA
+PJ013564	MYYW 	C34H39N5O7S	661.257	NA	PeJP	NA	NA
+MJ089189	Paulomycin A; 4'-De-O-(2-isothiocyano-2-butenoyl) 	C29H43NO16	661.258184	NA	MeJP	NA	NA
+PJ013565	STEYY 	C30H39N5O12	661.2595	NA	PeJP	NA	NA
+PJ013566	AMMFY 	C31H43N5O7S2	661.2604	NA	PeJP	NA	NA
+PJ013567	NNMHF 	C28H39N9O8S	661.2642	NA	PeJP	NA	NA
+PJ013568	GGNMHF 	C28H39N9O8S	661.2643	NA	PeJP	NA	NA
+PJ013569	ASSSSSH 	C24H39N9O13	661.2667	NA	PeJP	NA	NA
+PJ013570	NDEER 	C24H39N9O13	661.2668	NA	PeJP	NA	NA
+PJ013571	SPPCCR 	C25H43N9O8S2	661.2676	NA	PeJP	NA	NA
+PJ013572	APCWW 	C33H39N7O6S	661.2683	NA	PeJP	NA	NA
+PJ013573	AQEEW 	C29H39N7O11	661.2708	NA	PeJP	NA	NA
+PJ013574	PMMHF 	C30H43N7O6S2	661.2716	NA	PeJP	NA	NA
+MJ089190	Baumycin A1; 1'' or 3''-epimer (uncertain), 8-De-Ac, 8-(1-hydroxyethyl), O-de-Me 	C33H43NO13	661.27344	NA	MeJP	NA	NA
+MJ089191	Baumycin A1; 8-De-Ac, 8-(1'-hydroxyethyl), de-O-Me 	C33H43NO13	661.27344	NA	MeJP	NA	NA
+MJ089192	Rubeomycin B 	C33H43NO13	661.27344	NA	MeJP	NA	NA
+PJ013575	GPTQEM 	C26H43N7O11S	661.2742	NA	PeJP	NA	NA
+PJ013576	GPYYY 	C34H39N5O9	661.2748	NA	PeJP	NA	NA
+PJ013577	LMMMH 	C27H47N7O6S3	661.275	NA	PeJP	NA	NA
+PJ013578	TMHHH 	C27H39N11O7S	661.2755	NA	PeJP	NA	NA
+PJ013579	GSNNDR 	C23H39N11O12	661.278	NA	PeJP	NA	NA
+PJ013580	SVMYY 	C31H43N5O9S	661.2782	NA	PeJP	NA	NA
+PJ013581	GDERW 	C28H39N9O10	661.282	NA	PeJP	NA	NA
+PJ013582	GSPDMR 	C25H43N9O10S	661.2854	NA	PeJP	NA	NA
+PJ013583	AAEWW 	C33H39N7O8	661.286	NA	PeJP	NA	NA
+PJ013584	PTQMW 	C30H43N7O8S	661.2894	NA	PeJP	NA	NA
+PJ013585	FFYW 	C38H39N5O6	661.2901	NA	PeJP	NA	NA
+PJ013586	QKEEE 	C26H43N7O13	661.2919	NA	PeJP	NA	NA
+PJ013587	GPVQMM 	C27H47N7O8S2	661.2928	NA	PeJP	NA	NA
+PJ013588	ASPNHH 	C27H39N11O9	661.2932	NA	PeJP	NA	NA
+PJ013589	GSPQHH 	C27H39N11O9	661.2933	NA	PeJP	NA	NA
+PJ013590	AMFFF 	C35H43N5O6S	661.2934	NA	PeJP	NA	NA
+PJ013591	NNQMR 	C24H43N11O9S	661.2966	NA	PeJP	NA	NA
+PJ013592	DRWW 	C32H39N9O7	661.2973	NA	PeJP	NA	NA
+PJ013593	PTCRW 	C29H43N9O7S	661.3006	NA	PeJP	NA	NA
+PJ013594	GACKHF 	C29H43N9O7S	661.3007	NA	PeJP	NA	NA
+PJ013595	TQEER 	C25H43N9O12	661.3031	NA	PeJP	NA	NA
+PJ013596	GATEER 	C25H43N9O12	661.3032	NA	PeJP	NA	NA
+PJ013597	PQMMR 	C26H47N9O7S2	661.304	NA	PeJP	NA	NA
+PJ013598	AKEEW 	C30H43N7O10	661.3072	NA	PeJP	NA	NA
+PJ013599	CNNRR 	C23H43N13O8S	661.3078	NA	PeJP	NA	NA
+PJ013600	GGCNRR 	C23H43N13O8S	661.3079	NA	PeJP	NA	NA
+C08655	Aconifine	C34H47NO12	661.3098	NA	KEGG	NA	NA
+MJ089193	Aconifine 	C34H47NO12	661.309825	NA	MeJP	NA	NA
+MJ089194	Altaconitine 	C34H47NO12	661.309825	NA	MeJP	NA	NA
+PJ013601	GPTKEM 	C27H47N7O10S	661.3105	NA	PeJP	NA	NA
+PJ013602	GGGVLEM 	C27H47N7O10S	661.3106	NA	PeJP	NA	NA
+PJ013603	GLFYY 	C35H43N5O8	661.3112	NA	PeJP	NA	NA
+PJ013604	SDERR 	C24H43N11O11	661.3144	NA	PeJP	NA	NA
+MJ089195	Norbinaltorphimine 	C40H43N3O6	661.315186	NA	MeJP	NA	NA
+C18130	Norbinaltorphimine	C40H43N3O6	661.3152	NA	KEGG	NA	NA
+PJ013605	PCMRR 	C25H47N11O6S2	661.3153	NA	PeJP	NA	NA
+PJ013606	ATERW 	C29H43N9O9	661.3184	NA	PeJP	NA	NA
+PJ013607	VQEMR 	C26H47N9O9S	661.3218	NA	PeJP	NA	NA
+PJ013608	GTLWW 	C34H43N7O7	661.3224	NA	PeJP	NA	NA
+PJ013609	PTKMW 	C31H47N7O7S	661.3258	NA	PeJP	NA	NA
+PJ013610	KKEEE 	C27H47N7O12	661.3283	NA	PeJP	NA	NA
+PJ013611	GPVKMM 	C28H51N7O7S2	661.3292	NA	PeJP	NA	NA
+PJ013612	GSPKHH 	C28H43N11O8	661.3296	NA	PeJP	NA	NA
+PJ013613	GGGVVHH 	C28H43N11O8	661.3297	NA	PeJP	NA	NA
+PJ013614	AEMRR 	C25H47N11O8S	661.333	NA	PeJP	NA	NA
+PJ013615	GPFRW 	C33H43N9O6	661.3337	NA	PeJP	NA	NA
+PJ013616	GLMRW 	C30H47N9O6S	661.337	NA	PeJP	NA	NA
+PJ013617	TKEER 	C26H47N9O11	661.3395	NA	PeJP	NA	NA
+PJ013618	PKMMR 	C27H51N9O6S2	661.3404	NA	PeJP	NA	NA
+PJ013619	VNHHR 	C27H43N13O7	661.3409	NA	PeJP	NA	NA
+PJ013620	SLKEW 	C31H47N7O9	661.3435	NA	PeJP	NA	NA
+PJ013621	VTKEW 	C31H47N7O9	661.3436	NA	PeJP	NA	NA
+MJ089196	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8,N-Di-Et, O1,O6,O16,O18-tetra-Me, 14-O-(4-methoxybenzoyl) 	C35H51NO11	661.346211	NA	MeJP	NA	NA
+MJ089197	4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O8,O16,O18-Penta-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl) 	C35H51NO11	661.346211	NA	MeJP	NA	NA
+MJ089198	Ganefromycin ?1 	C35H51NO11	661.346211	NA	MeJP	NA	NA
+PJ013622	AALKEM 	C28H51N7O9S	661.3469	NA	PeJP	NA	NA
+PJ013623	TTERR 	C25H47N11O10	661.3508	NA	PeJP	NA	NA
+PJ013624	GHHRR 	C26H43N15O6	661.3521	NA	PeJP	NA	NA
+PJ013625	STLRW 	C30H47N9O8	661.3548	NA	PeJP	NA	NA
+PJ013626	QQKKM 	C27H51N9O8S	661.3581	NA	PeJP	NA	NA
+PJ013627	VKEMR 	C27H51N9O8S	661.3582	NA	PeJP	NA	NA
+PJ013628	VLHFF 	C35H47N7O6	661.3588	NA	PeJP	NA	NA
+PJ013629	VVKMW 	C32H51N7O6S	661.3622	NA	PeJP	NA	NA
+PJ013630	ATTLKE 	C28H51N7O11	661.3647	NA	PeJP	NA	NA
+PJ013631	APRRY 	C29H47N11O7	661.366	NA	PeJP	NA	NA
+PJ013632	SLMRR 	C26H51N11O7S	661.3694	NA	PeJP	NA	NA
+3584	NA	GRKSSK	661.374	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ013633	SSSLLR 	C27H51N9O10	661.3759	NA	PeJP	NA	NA
+PJ013634	PPHRR 	C28H47N13O6	661.3773	NA	PeJP	NA	NA
+PJ013635	AAPLKY 	C32H51N7O8	661.3799	NA	PeJP	NA	NA
+PJ013636	GGGVLLF 	C32H51N7O8	661.38	NA	PeJP	NA	NA
+PJ013637	GTLLKM 	C29H55N7O8S	661.3833	NA	PeJP	NA	NA
+MJ089199	Mucronine D 	C37H51N5O6	661.383934	NA	MeJP	NA	NA
+MJ089200	Paliurine B; 2''-N-Me 	C37H51N5O6	661.383934	NA	MeJP	NA	NA
+MJ089201	Paliurine C 	C37H51N5O6	661.383934	NA	MeJP	NA	NA
+PJ013638	GSSKKR 	C26H51N11O9	661.3872	NA	PeJP	NA	NA
+PJ013639	PVKRY 	C31H51N9O7	661.3912	NA	PeJP	NA	NA
+PJ013640	QKKKM 	C28H55N9O7S	661.3945	NA	PeJP	NA	NA
+PJ013641	GAKKKM 	C28H55N9O7S	661.3946	NA	PeJP	NA	NA
+PJ013642	STTLLK 	C29H55N7O10	661.4011	NA	PeJP	NA	NA
+PJ013643	ALFRR 	C30H51N11O6	661.4024	NA	PeJP	NA	NA
+PJ013644	CKKKR 	C27H55N11O6S	661.4058	NA	PeJP	NA	NA
+PJ013645	GTTKKK 	C28H55N9O9	661.4123	NA	PeJP	NA	NA
+PJ013646	AALLKF 	C33H55N7O7	661.4163	NA	PeJP	NA	NA
+MJ089202	7,26-Dihydroxycholest-4-en-3-one, 7-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac 	C37H59NO9	661.418982	NA	MeJP	NA	NA
+C16998	Pavoninin 1	C37H59NO9	661.419	NA	KEGG	NA	NA
+PJ013647	VLKFR 	C32H55N9O6	661.4276	NA	PeJP	NA	NA
+PJ013648	KKKKM 	C29H59N9O6S	661.4309	NA	PeJP	NA	NA
+HMDB08825	PE(14:0/16:1(9Z))	C35H68NO8P	661.468262	NA	HMDB2010	NA	NA
+HMDB08857	PE(14:1(9Z)/16:0)	C35H68NO8P	661.468262	NA	HMDB2010	NA	NA
+HMDB08921	PE(16:0/14:1(9Z))	C35H68NO8P	661.468262	NA	HMDB2010	NA	NA
+HMDB08953	PE(16:1(9Z)/14:0)	C35H68NO8P	661.468262	NA	HMDB2010	NA	NA
+HMDB08916	PE(15:0/P-16:0)	C36H72NO7P	661.504639	NA	HMDB2010	NA	NA
+HMDB11337	PE(P-16:0/15:0)	C36H72NO7P	661.504639	NA	HMDB2010	NA	NA
+EUR1056	SM(d18:1/14:0) [M-H-CH3]-	C37H76N2O6P	661.528451	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1056	SM(d18:1/14:0) [M-H-CH3]-	C37H76N2O6P	661.528451	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1056	SM(d18:1/14:0) [M-H-CH3]-	C37H76N2O6P	661.528451	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1056	SM(d18:1/14:0) [M-H-CH3]-	C37H76N2O6P	661.528451	masses lipides attendues	Inhousejuil11	NA	NA
+MJ089203	Iobenzamic acid 	C16H13I3N2O3	661.806022	NA	MeJP	NA	NA
+8294	Fatty acid synthase inhibitor	EITPEKNPQLR	661.84945	MH2+	Inhouse_peptide	NA	peptide
+MJ089204	Closantel 	C22H14Cl2I2N2O2	661.852169	NA	MeJP	NA	NA
+MJ089205	N-[2-[3,5-Dibromo-4-[3-[(3-methyl-1-oxo-2-butenyl)amino]propoxy]phenyl]ethyl]-4-hydroxybenzeneacetamide; Diiodo analogue 	C24H28I2N2O4	662.013844	NA	MeJP	NA	NA
+MJ089206	Secoemestrin C 	C27H22N2O10S4	662.015727	NA	MeJP	NA	NA
+PJ013649	CCCCCE 	C20H34N6O9S5	662.0991	NA	PeJP	NA	NA
+MJ089207	Quinic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl), Me ester 	C29H26O18	662.111914	NA	MeJP	NA	NA
+PJ013650	TCCCCM 	C21H38N6O8S5	662.1355	NA	PeJP	NA	NA
+PJ013651	GCCCDY 	C24H34N6O10S3	662.1499	NA	PeJP	NA	NA
+MJ089208	Versetamide; Gd complex 	C20H34GdN5O10	662.154667	NA	MeJP	NA	NA
+FL5FAAGS0057	Kaempferol 3-(2'',3''-diacetyl-4''-p-coumarylrhamnoside	C34H30O14	662.16355	128941-61-7	knapsack	NA	NA
+MJ089209	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] 	C34H30O14	662.163555	NA	MeJP	NA	NA
+MJ089210	Viriditoxin 	C34H30O14	662.163555	NA	MeJP	NA	NA
+PJ013652	GCCCMF 	C25H38N6O7S4	662.1685	NA	PeJP	NA	NA
+PJ013653	GCCDEH 	C23H34N8O11S2	662.1789	NA	PeJP	NA	NA
+FL3FAACS0091	Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside	C31H34O16	662.18468	212050-31-2	knapsack	NA	NA
+FL5FAAGS0123	Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside;Crassirhizomoside C;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(2,3-di-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C31H34O16	662.18468	349654-87-1	knapsack	NA	NA
+MJ089211	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[3,6-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089212	1,3,6-Trihydroxy-2-methylanthraquinone; 3-O-[4,6-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089213	1,3,8-Trihydroxy-6-methylanthraquinone; 1-O-?-D-Glucopyranoside, 3-O-[2,3-di-O-acetyl-?-L-rhamnopyranoside] 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089214	3-Hydroxy-2H-1-benzopyran-2-one; O-[5-O-(4-Hydroxy-3,5-dimethoxycinnamoyl)-?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089215	Vitexin; 2''-(3,4-Di-O-acetyl-?-L-rhamnopyranosyl) 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089216	?-Rhamnoisorobin; 3-O-(2,3-Di-O-acetyl-?-L-rhamnopyranoside) 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089217	?-Rhamnoisorobin; 3-O-(2,4-Di-O-acetyl-?-L-rhamnopyranoside) 	C31H34O16	662.184685	NA	MeJP	NA	NA
+MJ089218	?-Rhamnoisorobin; 3-O-(3,4-Di-O-acetyl-?-L-rhamnopyranoside) 	C31H34O16	662.184685	NA	MeJP	NA	NA
+PJ013654	GSCCMY 	C25H38N6O9S3	662.1863	NA	PeJP	NA	NA
+PJ013655	CCDHW 	C27H34N8O8S2	662.1941	NA	PeJP	NA	NA
+PJ013656	SSCDDH 	C23H34N8O13S	662.1966	NA	PeJP	NA	NA
+PJ013657	PTCCCH 	C24H38N8O8S3	662.1975	NA	PeJP	NA	NA
+PJ013658	SPDDDD 	C24H34N6O16	662.2032	NA	PeJP	NA	NA
+PJ013659	SSTCCY 	C25H38N6O11S2	662.204	NA	PeJP	NA	NA
+MJ089219	7,8-Dihydroxy-6-methoxy-2H-1-benzopyran-2-one; 8-O-(Rhamnosylrhamnosylglucopyranoside) 	C28H38O18	662.205814	NA	MeJP	NA	NA
+MJ089220	6-Chloro-4,8-epoxy-2,4,9,12,14-pentahydroxy-5(16)-briaren-18,7-olide; 12-Benzoyl, 2,9,14-tri-Ac 	C33H39ClO12	662.213004	NA	MeJP	NA	NA
+PJ013660	GNNDDE 	C23H34N8O15	662.2144	NA	PeJP	NA	NA
+MJ089221	Sorocenol F 	C39H34O10	662.215197	NA	MeJP	NA	NA
+PJ013661	GSCEMH 	C24H38N8O10S2	662.2153	NA	PeJP	NA	NA
+PJ013662	CCQFY 	C29H38N6O8S2	662.2193	NA	PeJP	NA	NA
+MJ089222	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H38O15	662.22107	NA	MeJP	NA	NA
+MJ089223	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-?-L-Rhamnopyranoside, 7-O-?-D-glucopyranoside 	C32H38O15	662.22107	NA	MeJP	NA	NA
+MJ089224	Antibiotic BK 223B 	C32H38O15	662.22107	NA	MeJP	NA	NA
+MJ089225	Antibiotic NG 011 	C32H38O15	662.22107	NA	MeJP	NA	NA
+MJ089226	Neooleuropein 	C32H38O15	662.22107	NA	MeJP	NA	NA
+MJ089227	6-(1-Ethyl-1-propenyl)-3,4',5,7-tetrahydroxyflavylium(1+); 3-O-Diglucoside 	C32H39O15(+)	662.22107	NA	MeJP	NA	NA
+MJ089228	6-(1-Ethyl-1-propenyl)-3,4',5,7-tetrahydroxyflavylium; 3-O-(Glucosylglucoside) 	C32H39O15(+)	662.22107	NA	MeJP	NA	NA
+FL5FAAGI0005	Ikarisoside B	C32H38O15	662.22107	113558-10-4	knapsack	NA	NA
+FL5FAAGI0008	Epimedoside A	C32H38O15	662.22107	39012-04-9	knapsack	NA	NA
+PJ013663	GPDDEM 	C25H38N6O13S	662.2218	NA	PeJP	NA	NA
+MJ089229	Ataline 	C38H34N2O9	662.22643	NA	MeJP	NA	NA
+MJ089230	Oviisocorydine 	C38H34N2O9	662.22643	NA	MeJP	NA	NA
+PJ013664	NNDDW 	C27H34N8O12	662.2296	NA	PeJP	NA	NA
+PJ013665	GGNDDW 	C27H34N8O12	662.2297	NA	PeJP	NA	NA
+PJ013666	SCMHW 	C28H38N8O7S2	662.2305	NA	PeJP	NA	NA
+PJ013667	SSSDMH 	C24H38N8O12S	662.233	NA	PeJP	NA	NA
+PJ013668	NMMMH 	C25H42N8O7S3	662.2339	NA	PeJP	NA	NA
+MJ089231	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 2-(2-Furoyl), 8,9-dibenzoyl, 1-Ac 	C36H38O12	662.236326	NA	MeJP	NA	NA
+MJ089232	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 2-(2-furoyl), 1-Ac 	C36H38O12	662.236326	NA	MeJP	NA	NA
+MJ089233	3',4',5',7,8-Pentahydroxyflavan(5?5)-3',4',5',7,8-pentahydroxyflavan, 3',3''',4',4''',7,7''-Hexa-Me ether 	C36H38O12	662.236326	NA	MeJP	NA	NA
+MJ089234	Antibiotic ES 242-4; 4,4'-Di-O-Ac 	C36H38O12	662.236326	NA	MeJP	NA	NA
+MJ089235	Tricholomenyne D 	C36H38O12	662.236326	NA	MeJP	NA	NA
+PJ013669	PDDMW 	C29H38N6O10S	662.237	NA	PeJP	NA	NA
+PJ013670	QEEEE 	C25H38N6O15	662.2395	NA	PeJP	NA	NA
+PJ013671	GAEEEE 	C25H38N6O15	662.2396	NA	PeJP	NA	NA
+PJ013672	SPPCEM 	C26H42N6O10S2	662.2404	NA	PeJP	NA	NA
+PJ013673	GNNNNM 	C23H38N10O11S	662.2442	NA	PeJP	NA	NA
+PJ013674	GGGNNNM 	C23H38N10O11S	662.2443	NA	PeJP	NA	NA
+PJ013675	GSPCNW 	C28H38N8O9S	662.2483	NA	PeJP	NA	NA
+PJ013676	DDEER 	C24H38N8O14	662.2508	NA	PeJP	NA	NA
+MJ089236	Kuwanon J; 16''-Deoxy 	C40H38O9	662.251582	NA	MeJP	NA	NA
+MJ089237	Kuwanon J; 2-Deoxy 	C40H38O9	662.251582	NA	MeJP	NA	NA
+PJ013677	GSTMMH 	C25H42N8O9S2	662.2516	NA	PeJP	NA	NA
+PJ013678	GGGGGPMM 	C25H42N8O9S2	662.2517	NA	PeJP	NA	NA
+PJ013679	AEEEW 	C29H38N6O12	662.2548	NA	PeJP	NA	NA
+PJ013680	CCKFY 	C30H42N6O7S2	662.2557	NA	PeJP	NA	NA
+MJ089238	Azadirachtin G 	C33H42O14	662.257456	NA	MeJP	NA	NA
+MJ089239	Azadirachtin H 	C33H42O14	662.257456	NA	MeJP	NA	NA
+MJ089240	Azadirachtin; 11-Deoxy, O1-detigloyl, O3-de-Ac, O3-tigloyl 	C33H42O14	662.257456	NA	MeJP	NA	NA
+MJ089241	Urceolatoside A 	C33H42O14	662.257456	NA	MeJP	NA	NA
+MJ089242	Woorenogenin; 9-O-[6-O-(4-Hydroxy-2-methylenebutanoyl)-?-D-glucopyranoside] 	C33H42O14	662.257456	NA	MeJP	NA	NA
+PJ013681	GPTEEM 	C26H42N6O12S	662.2582	NA	PeJP	NA	NA
+PJ013682	GPPMMM 	C27H46N6O7S3	662.259	NA	PeJP	NA	NA
+PJ013683	GSNDDR 	C23H38N10O13	662.262	NA	PeJP	NA	NA
+PJ013684	GPCCQR 	C24H42N10O8S2	662.2629	NA	PeJP	NA	NA
+PJ013685	ACHFW 	C32H38N8O6S	662.2635	NA	PeJP	NA	NA
+8088	peptide derived from tuna cooking juice	PHHADS	662.2639	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ013686	SNQEW 	C28H38N8O11	662.266	NA	PeJP	NA	NA
+PJ013687	GGGGGPDF 	C28H38N8O11	662.2661	NA	PeJP	NA	NA
+PJ013688	SSTTMH 	C25H42N8O11S	662.2694	NA	PeJP	NA	NA
+PJ013689	GNFYY 	C33H38N6O9	662.27	NA	PeJP	NA	NA
+PJ013690	GGGFYY 	C33H38N6O9	662.2701	NA	PeJP	NA	NA
+3810	NA	MQFHT	662.2714	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ013691	PTEMW 	C30H42N6O9S	662.2734	NA	PeJP	NA	NA
+PJ013692	KEEEE 	C26H42N6O14	662.2759	NA	PeJP	NA	NA
+PJ013693	GPVEMM 	C27H46N6O9S2	662.2768	NA	PeJP	NA	NA
+PJ013694	GSPEHH 	C27H38N10O10	662.2773	NA	PeJP	NA	NA
+PJ013695	NNEMR 	C24H42N10O10S	662.2806	NA	PeJP	NA	NA
+PJ013696	GGGGGCQK 	C24H42N10O10S	662.2807	NA	PeJP	NA	NA
+PJ013697	GSQWW 	C32H38N8O8	662.2813	NA	PeJP	NA	NA
+MJ089243	Aglaine B; 3,4-Diepimer, 3',19-dihydroxy 	C36H42N2O10	662.283945	NA	MeJP	NA	NA
+PJ013698	AQQMW 	C29H42N8O8S	662.2846	NA	PeJP	NA	NA
+PJ013699	GAAQMW 	C29H42N8O8S	662.2847	NA	PeJP	NA	NA
+PJ013700	ASTQQE 	C25H42N8O13	662.2871	NA	PeJP	NA	NA
+PJ013701	TEEER 	C25H42N8O13	662.2872	NA	PeJP	NA	NA
+PJ013702	PEMMR 	C26H46N8O8S2	662.288	NA	PeJP	NA	NA
+PJ013703	NQQHH 	C26H38N12O9	662.2885	NA	PeJP	NA	NA
+PJ013704	SLEEW 	C30H42N6O11	662.2912	NA	PeJP	NA	NA
+PJ013705	CNDRR 	C23H42N12O9S	662.2919	NA	PeJP	NA	NA
+PJ013706	PVMMW 	C31H46N6O6S2	662.2921	NA	PeJP	NA	NA
+PJ013707	SPHHW 	C31H38N10O7	662.2925	NA	PeJP	NA	NA
+MJ089244	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 2,14-bis(2-methylpropanoyl), 1,8-di-Ac 	C34H46O13	662.293841	NA	MeJP	NA	NA
+MJ089245	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis(2-methylpropanoyl), 1,2-di-Ac 	C34H46O13	662.293841	NA	MeJP	NA	NA
+PJ013708	AALEEM 	C27H46N6O11S	662.2946	NA	PeJP	NA	NA
+PJ013709	GNMRW 	C28H42N10O7S	662.2959	NA	PeJP	NA	NA
+PJ013710	GSSQER 	C24H42N10O12	662.2984	NA	PeJP	NA	NA
+PJ013711	GPCCKR 	C25H46N10O7S2	662.2993	NA	PeJP	NA	NA
+PJ013712	SNKEW 	C29H42N8O10	662.3024	NA	PeJP	NA	NA
+PJ013713	VEEMR 	C26H46N8O10S	662.3058	NA	PeJP	NA	NA
+PJ013714	PPTYW 	C34H42N6O8	662.3064	NA	PeJP	NA	NA
+PJ013715	VVEMW 	C31H46N6O8S	662.3098	NA	PeJP	NA	NA
+PJ013716	ATTLEE 	C27H46N6O13	662.3123	NA	PeJP	NA	NA
+PJ013717	APTLMM 	C28H50N6O8S2	662.3132	NA	PeJP	NA	NA
+PJ013718	SSQRW 	C28H42N10O9	662.3136	NA	PeJP	NA	NA
+PJ013719	GGSTRW 	C28H42N10O9	662.3137	NA	PeJP	NA	NA
+PJ013720	NDKMR 	C25H46N10O9S	662.317	NA	PeJP	NA	NA
+PJ013721	GSKWW 	C33H42N8O7	662.3177	NA	PeJP	NA	NA
+PJ013722	AQKMW 	C30H46N8O7S	662.321	NA	PeJP	NA	NA
+PJ013723	GAAKMW 	C30H46N8O7S	662.3211	NA	PeJP	NA	NA
+PJ013724	GTTQKE 	C26H46N8O12	662.3235	NA	PeJP	NA	NA
+PJ013725	GSDKKE 	C26H46N8O12	662.3236	NA	PeJP	NA	NA
+PJ013726	GPCKKM 	C27H50N8O7S2	662.3244	NA	PeJP	NA	NA
+PJ013727	VDHHR 	C27H42N12O8	662.3249	NA	PeJP	NA	NA
+PJ013728	AAPLEY 	C31H46N6O10	662.3276	NA	PeJP	NA	NA
+PJ013729	SNMRR 	C24H46N12O8S	662.3282	NA	PeJP	NA	NA
+PJ013730	GGSMRR 	C24H46N12O8S	662.3283	NA	PeJP	NA	NA
+PJ013731	ALHHW 	C32H42N10O6	662.3289	NA	PeJP	NA	NA
+7750	ACE inhibitor (tynorphin)	VVYPW	662.33	antioxidative	Inhouse_peptide	NA	peptide
+MJ089246	2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 23,24-Didehydro, 2-O-?-D-glucopyranoside 	C35H50O12	662.330227	NA	MeJP	NA	NA
+MJ089247	2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 23,24-Didehydro, 22?-alcohol, 2-O-?-D-glucopyranoside 	C35H50O12	662.330227	NA	MeJP	NA	NA
+MJ089248	Fevicordin F; 22-Ketone, 2-O-?-D-glucopyranoside 	C35H50O12	662.330227	NA	MeJP	NA	NA
+MJ089249	Fevicordin F; 6,7-Didehydro, 2-O-?-D-glucopyranoside 	C35H50O12	662.330227	NA	MeJP	NA	NA
+MJ089250	Fevicordin F; 6,7-Didehydro, 23,24-dihydro, 22-ketone, 2-O-?-D-glucopyranoside 	C35H50O12	662.330227	NA	MeJP	NA	NA
+PJ013732	GTLLEM 	C28H50N6O10S	662.3309	NA	PeJP	NA	NA
+22	Hemoglobin	VVYPW	662.332	celiac toxic	Inhouse_peptide	NA	peptide
+PJ013733	ACKRW 	C29H46N10O6S	662.3323	NA	PeJP	NA	NA
+MJ089251	Cholest-22-ene-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 15-sulfate 	C32H54O12S	662.333597	NA	MeJP	NA	NA
+MJ089252	Cholest-4-ene-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-sulfate 	C32H54O12S	662.333597	NA	MeJP	NA	NA
+PJ013734	GSSKER 	C25H46N10O11	662.3348	NA	PeJP	NA	NA
+PJ013735	SDKKW 	C30H46N8O9	662.3388	NA	PeJP	NA	NA
+PJ013736	QKKEM 	C27H50N8O9S	662.3422	NA	PeJP	NA	NA
+PJ013737	PVVYW 	C35H46N6O7	662.3428	NA	PeJP	NA	NA
+PJ013738	GSSTRR 	C24H46N12O10	662.346	NA	PeJP	NA	NA
+PJ013739	TLLMW 	C32H50N6O7S	662.3462	NA	PeJP	NA	NA
+MJ089253	Ervafolidine 	C40H46N4O5	662.34682	NA	MeJP	NA	NA
+PJ013740	STTLLE 	C28H50N6O12	662.3487	NA	PeJP	NA	NA
+PJ013741	GVLLMM 	C29H54N6O7S2	662.3496	NA	PeJP	NA	NA
+PJ013742	SSKRW 	C29H46N10O8	662.35	NA	PeJP	NA	NA
+PJ013743	GGGGLFR 	C29H46N10O8	662.3501	NA	PeJP	NA	NA
+MJ089254	6',6''-Diacetyl 16-[(2'-O-?-D-glucopyranosyl-?-D-glucopyranosyl)oxy]hexadecanoic acid 1',4''-lactone 	C32H54O14	662.351356	NA	MeJP	NA	NA
+MJ089255	Murolic acid, 2-Epimer, O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C32H54O14	662.351356	NA	MeJP	NA	NA
+MJ089256	Murolic acid, 2-Epimer, O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H54O14	662.351356	NA	MeJP	NA	NA
+MJ089257	Murolic acid, O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C32H54O14	662.351356	NA	MeJP	NA	NA
+MJ089258	Murolic acid, O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside] 	C32H54O14	662.351356	NA	MeJP	NA	NA
+MJ089259	Murolic acid, O-[?-D-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C32H54O14	662.351356	NA	MeJP	NA	NA
+PJ013744	TQKMR 	C26H50N10O8S	662.3534	NA	PeJP	NA	NA
+PJ013745	PPFFR 	C34H46N8O6	662.3541	NA	PeJP	NA	NA
+PJ013746	AKKMW 	C31H50N8O6S	662.3574	NA	PeJP	NA	NA
+PJ013747	GTTKKE 	C27H50N8O11	662.3599	NA	PeJP	NA	NA
+PJ013748	LLMMR 	C28H54N8O6S2	662.3608	NA	PeJP	NA	NA
+PJ013749	GQFRR 	C28H46N12O7	662.3613	NA	PeJP	NA	NA
+PJ013750	ASPLLY 	C32H50N6O9	662.3639	NA	PeJP	NA	NA
+PJ013751	GPTLLY 	C32H50N6O9	662.364	NA	PeJP	NA	NA
+PJ013752	TCKRR 	C25H50N12O7S	662.3646	NA	PeJP	NA	NA
+MJ089260	1,3,27-Trihydroxywitha-5,24-dienolide, 1-Ac, 3-O-?-D-glucopyranoside 	C36H54O11	662.366612	NA	MeJP	NA	NA
+MJ089261	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C36H54O11	662.366612	NA	MeJP	NA	NA
+MJ089262	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside 	C36H54O11	662.366612	NA	MeJP	NA	NA
+MJ089263	5,6-Epoxy-4(15)-eudesmene-3,7,11-triol, 11-O-[2,4-Diangeloyl-3-(2-methylbutanoyl)-?-D-fucopyranoside] 	C36H54O11	662.366612	NA	MeJP	NA	NA
+MJ089264	Physalolactone B; 3-O-?-D-Glucopyranoside 	C36H54O11	662.366612	NA	MeJP	NA	NA
+PJ013753	SSLLLM 	C29H54N6O9S	662.3673	NA	PeJP	NA	NA
+PJ013754	GTTTKR 	C26H50N10O10	662.3712	NA	PeJP	NA	NA
+PJ013755	TTKKW 	C31H50N8O8	662.3752	NA	PeJP	NA	NA
+PJ013756	KKKEM 	C28H54N8O8S	662.3786	NA	PeJP	NA	NA
+PJ013757	VVLFW 	C36H50N6O6	662.3792	NA	PeJP	NA	NA
+MJ089265	16-Decarbomethoxyvoacamine pseudoindoxyl 	C41H50N4O4	662.383206	NA	MeJP	NA	NA
+MJ089266	Conodurine; 3-Hydroxy, decarbomethoxy 	C41H50N4O4	662.383206	NA	MeJP	NA	NA
+PJ013758	VNKFR 	C30H50N10O7	662.3864	NA	PeJP	NA	NA
+PJ013759	TKKMR 	C27H54N10O7S	662.3898	NA	PeJP	NA	NA
+PJ013760	SSTLKK 	C28H54N8O10	662.3963	NA	PeJP	NA	NA
+PJ013761	GKFRR 	C29H50N12O6	662.3977	NA	PeJP	NA	NA
+PJ013762	AALLLY 	C33H54N6O8	662.4003	NA	PeJP	NA	NA
+MJ089267	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, O25-Me, 3-O-?-D-galactopyranoside 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089268	3,19-Dihydroxy-12-ursene-24,28-dioic acid, 3-O-?-D-Xylopyranoside, di-Me ester 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089269	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 30-Me ester 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089270	Cholesta-5,24-diene-3,11,16,22-tetrol, 16-O-(2,3-Di-O-acetyl-?-L-rhamnopyranoside) 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089271	Cimigenol; 3-O-Xyloside, 25-Ac 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089272	Cimigenol; 3-[3-O-Acetyl-?-D-xylopyranoside] 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089273	Isodahurinol; 24-Ac, 3-O-?-D-xylopyranoside 	C37H58O10	662.402998	NA	MeJP	NA	NA
+MJ089274	Shengmanol; 23-Ac, 3-O-?-D-xylopyranoside 	C37H58O10	662.402998	NA	MeJP	NA	NA
+PJ013763	VLLRY 	C32H54N8O7	662.4116	NA	PeJP	NA	NA
+MJ089275	Fla-P3 	C45H58O4	662.43351	NA	MeJP	NA	NA
+MJ089276	20-Hydroxy-8-[2-hydroxy-1-methyl-3-(tetrahydro-2,4-dihydroxy-5,6-dimethyl-2H-pyran-2-yl)butyl]-1,3,9,13-tetramethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]eicosa-2,4,10,12-tetraen-6-one 	C38H62O9	662.439383	NA	MeJP	NA	NA
+PJ013764	LKKKF 	C33H58N8O6	662.448	NA	PeJP	NA	NA
+MJ089277	Chlorobiumquinone 	C46H62O3	662.469895	NA	MeJP	NA	NA
+MJ089278	Petroformyne 1; 8,9,14,15-Tetradehydro(Z,Z-), 12,13-dihydro, 3,44-diketone 	C46H62O3	662.469895	NA	MeJP	NA	NA
+MJ089279	Glycerol 1-alkanoates; Glycerol 1-(26-hydroxyhexacosanoate), 26'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C39H66O8	662.475769	NA	MeJP	NA	NA
+MJ089280	Glycerol 1-alkanoates; Glycerol 1-(26-hydroxyhexacosanoate), 26'-O-(4-Hydroxy-3-methoxycinnamoyl)(Z-) 	C39H66O8	662.475769	NA	MeJP	NA	NA
+MJ089281	Lepidate 	C43H66O5	662.491025	NA	MeJP	NA	NA
+MJ089282	Variabilin, 18-(9-Octadecenoyl) (Z-) 	C43H66O5	662.491025	NA	MeJP	NA	NA
+HMDB07295	DG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07324	DG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07351	DG(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07352	DG(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07520	DG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07549	DG(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07576	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07577	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07715	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07744	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07771	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB07772	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)	C43H66O5	662.491028	NA	HMDB2010	NA	NA
+HMDB11145	PA(16:0e/18:0)	C37H75O7P	662.525024	NA	HMDB2010	NA	NA
+MJ089283	Cepaciamide A 	C40H74N2O5	662.559773	NA	MeJP	NA	NA
+MJ089284	12-Oleanen-3-ol, O-(9Z-Hexadecenoyl) 	C46H78O2	662.600181	NA	MeJP	NA	NA
+MJ089285	Ergost-5-en-3-ol, 9Z,12Z-Octadecadienoyl 	C46H78O2	662.600181	NA	MeJP	NA	NA
+MJ089286	3-Dotetracontene-1,5-diol; 5-Ac 	C44H86O3	662.657696	NA	MeJP	NA	NA
+8137	anticancer peptide from algae protein waste (Chlorella vulgaris)	VECYGPNRPQF	662.78395	MH2+	Inhouse_peptide	NA	peptide
+8138	peptide derived from algae protein waste (Chlorella vulgaris)	VECYGPNRPQF	662.78395	MH2+	Inhouse_peptide	NA	peptide
+MJ089287	Coenzyme I 	C21H27N7O14P2	663.109121	NA	MeJP	NA	NA
+PJ013765	ACCCQH 	C23H37N9O8S3	663.1927	NA	PeJP	NA	NA
+PJ013766	GCCNMH 	C23H37N9O8S3	663.1928	NA	PeJP	NA	NA
+PJ013767	GNDDDE 	C23H33N7O16	663.1984	NA	PeJP	NA	NA
+PJ013768	CCEFY 	C29H37N5O9S2	663.2033	NA	PeJP	NA	NA
+MJ089288	Scleroderris blue 	C38H33NO10	663.210446	NA	MeJP	NA	NA
+PJ013769	SSCCQH 	C23H37N9O10S2	663.2105	NA	PeJP	NA	NA
+PJ013770	NDDDW 	C27H33N7O13	663.2137	NA	PeJP	NA	NA
+PJ013771	SPCNDE 	C24H37N7O13S	663.217	NA	PeJP	NA	NA
+PJ013772	DMMMH 	C25H41N7O8S3	663.2179	NA	PeJP	NA	NA
+PJ013773	SCEYY 	C29H37N5O11S	663.221	NA	PeJP	NA	NA
+PJ013774	EEEEE 	C25H37N5O16	663.2236	NA	PeJP	NA	NA
+PJ013775	GSSSSCH 	C23H37N9O12S	663.2283	NA	PeJP	NA	NA
+PJ013776	ACCCKH 	C24H41N9O7S3	663.2291	NA	PeJP	NA	NA
+PJ013777	GSPCDW 	C28H37N7O10S	663.2323	NA	PeJP	NA	NA
+PJ013778	GSNEEE 	C24H37N7O15	663.2348	NA	PeJP	NA	NA
+PJ013779	GPNDMM 	C25H41N7O10S2	663.2357	NA	PeJP	NA	NA
+PJ013780	CMHHH 	C26H37N11O6S2	663.237	NA	PeJP	NA	NA
+PJ013781	GMMYY 	C30H41N5O8S2	663.2397	NA	PeJP	NA	NA
+PJ013782	CNNQW 	C27H37N9O9S	663.2435	NA	PeJP	NA	NA
+PJ013783	GSDDDR 	C23H37N9O14	663.246	NA	PeJP	NA	NA
+PJ013784	GPCCER 	C24H41N9O9S2	663.2469	NA	PeJP	NA	NA
+MJ089289	Dihydrostreptomycin 6-phosphate 	C21H42N7O15P	663.24765	NA	MeJP	NA	NA
+MetaCyc04021	dihydrostreptomycin 6-phosphate [N-formyl-L-glutamate;]	C21H42N7O15P1	663.24765	NA	metacyc	NA	NA
+MetaCyc04022	streptomycin 6-phosphate []	C21H42N7O15P1	663.24765	NA	metacyc	NA	NA
+C01221	Dihydrostreptomycin 6-phosphate	C21H42N7O15P	663.2477	NA	KEGG	NA	NA
+C04191	Dihydrostreptomycin 3''-phosphate	C21H42N7O15P	663.2477	NA	KEGG	NA	NA
+C04382	Dihydrostreptomycin 3'alpha-phosphate	C21H42N7O15P	663.2477	NA	KEGG	NA	NA
+C04384	Heparan sulfate alpha-D-glucosaminide	C6H12NO5	663.2477	NA	KEGG	NA	NA
+PJ013785	SNEEW 	C28H37N7O12	663.25	NA	PeJP	NA	NA
+PJ013786	GGSEEW 	C28H37N7O12	663.2501	NA	PeJP	NA	NA
+PJ013787	PCQMW 	C29H41N7O7S2	663.2509	NA	PeJP	NA	NA
+MJ089290	2-Cyclopropylethyl [[4'-[[2-ethyl-6-[[[methyl(1-methylethyl)amino]carbonyl]amino]-4-oxo-3(4H)-quinazolinyl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]carbamate 	C34H38FN5O6S	663.252682	NA	MeJP	NA	NA
+PJ013788	QQEEM 	C25H41N7O12S	663.2534	NA	PeJP	NA	NA
+PJ013789	GDFYY 	C33H37N5O10	663.2541	NA	PeJP	NA	NA
+PJ013790	GPCNHH 	C26H37N11O8S	663.2548	NA	PeJP	NA	NA
+PJ013791	STMYY 	C30H41N5O10S	663.2574	NA	PeJP	NA	NA
+MJ089291	Adiposin 2; Dihydro 	C25H45NO19	663.258578	NA	MeJP	NA	NA
+PJ013792	GSSNNW 	C27H37N9O11	663.2613	NA	PeJP	NA	NA
+PJ013793	PCCRW 	C28H41N9O6S2	663.2622	NA	PeJP	NA	NA
+PJ013794	NDEMR 	C24H41N9O11S	663.2646	NA	PeJP	NA	NA
+PJ013795	GGDEMR 	C24H41N9O11S	663.2647	NA	PeJP	NA	NA
+PJ013796	GSEWW 	C32H37N7O9	663.2653	NA	PeJP	NA	NA
+PJ013797	AQEMW 	C29H41N7O9S	663.2687	NA	PeJP	NA	NA
+PJ013798	GSDKEE 	C25H41N7O14	663.2712	NA	PeJP	NA	NA
+PJ013799	GPTQMM 	C26H45N7O9S2	663.272	NA	PeJP	NA	NA
+PJ013800	GGAPTMM 	C26H45N7O9S2	663.2721	NA	PeJP	NA	NA
+PJ013801	NQEHH 	C26H37N11O10	663.2725	NA	PeJP	NA	NA
+PJ013802	GMFFY 	C34H41N5O7S	663.2727	NA	PeJP	NA	NA
+PJ013803	CDDRR 	C23H41N11O10S	663.2759	NA	PeJP	NA	NA
+PJ013804	GDMRW 	C28H41N9O8S	663.2799	NA	PeJP	NA	NA
+PJ013805	SWWW 	C36H37N7O6	663.2805	NA	PeJP	NA	NA
+PJ013806	GSSEER 	C24H41N9O13	663.2824	NA	PeJP	NA	NA
+PJ013807	GPTCMR 	C25H45N9O8S2	663.2833	NA	PeJP	NA	NA
+PJ013808	AAMWW 	C33H41N7O6S	663.2839	NA	PeJP	NA	NA
+PJ013809	SDKEW 	C29H41N7O11	663.2864	NA	PeJP	NA	NA
+PJ013810	PCKMW 	C30H45N7O6S2	663.2873	NA	PeJP	NA	NA
+PJ013811	GQHHW 	C30H37N11O7	663.2878	NA	PeJP	NA	NA
+PJ013812	QKEEM 	C26H45N7O11S	663.2898	NA	PeJP	NA	NA
+PJ013813	GVYYY 	C34H41N5O9	663.2904	NA	PeJP	NA	NA
+PJ013814	SSSNNR 	C23H41N11O12	663.2936	NA	PeJP	NA	NA
+PJ013815	GGGGSSSR 	C23H41N11O12	663.2937	NA	PeJP	NA	NA
+PJ013816	SSERW 	C28H41N9O10	663.2977	NA	PeJP	NA	NA
+PJ013817	PHHHH 	C29H37N13O6	663.299	NA	PeJP	NA	NA
+PJ013818	TQEMR 	C25H45N9O10S	663.301	NA	PeJP	NA	NA
+PJ013819	GGGGGTKM 	C25H45N9O10S	663.3011	NA	PeJP	NA	NA
+C08091	Nelfinavir mesylate	C32H45N3O4S	663.3012	NA	KEGG	NA	NA
+PJ013820	ATTWW 	C33H41N7O8	663.3017	NA	PeJP	NA	NA
+PJ013821	SLQMW 	C30H45N7O8S	663.305	NA	PeJP	NA	NA
+PJ013822	AKEMW 	C30H45N7O8S	663.3051	NA	PeJP	NA	NA
+PJ013823	GFFFF 	C38H41N5O6	663.3057	NA	PeJP	NA	NA
+3191	cuprum binding peptide	GGHTRH	663.306	celiac toxic	Inhouse_peptide	NA	peptide
+PJ013824	STTLNE 	C26H45N7O13	663.3075	NA	PeJP	NA	NA
+PJ013825	GTTKEE 	C26H45N7O13	663.3076	NA	PeJP	NA	NA
+PJ013826	GPTKMM 	C27H49N7O8S2	663.3084	NA	PeJP	NA	NA
+PJ013827	NNNFR 	C27H41N11O9	663.3089	NA	PeJP	NA	NA
+PJ013828	SDMRR 	C24H45N11O9S	663.3123	NA	PeJP	NA	NA
+PJ013829	PPQHW 	C32H41N9O7	663.3129	NA	PeJP	NA	NA
+PJ013830	ATMRW 	C29H45N9O7S	663.3163	NA	PeJP	NA	NA
+PJ013831	GTTTER 	C25H45N9O12	663.3188	NA	PeJP	NA	NA
+PJ013832	VQMMR 	C26H49N9O7S2	663.3197	NA	PeJP	NA	NA
+PJ013833	SQHHR 	C26H41N13O8	663.3201	NA	PeJP	NA	NA
+7024	synthetic peptide from alpha-gliadin	WQIPEQSQCQAI	663.321	MH2+	Inhouse_peptide	NA	peptide
+PJ013834	TTKEW 	C30H45N7O10	663.3228	NA	PeJP	NA	NA
+PJ013835	GKHHW 	C31H41N11O6	663.3242	NA	PeJP	NA	NA
+PJ013836	KKEEM 	C27H49N7O10S	663.3262	NA	PeJP	NA	NA
+PJ013837	AMMRR 	C25H49N11O6S2	663.3309	NA	PeJP	NA	NA
+PJ013838	TTTRW 	C29H45N9O9	663.334	NA	PeJP	NA	NA
+PJ013839	GAPTRY 	C29H45N9O9	663.3341	NA	PeJP	NA	NA
+PJ013840	TKEMR 	C26H49N9O9S	663.3374	NA	PeJP	NA	NA
+PJ013841	APKYW 	C34H45N7O7	663.3381	NA	PeJP	NA	NA
+PJ013842	SLKMW 	C31H49N7O7S	663.3414	NA	PeJP	NA	NA
+PJ013843	AAPKMF 	C31H49N7O7S	663.3415	NA	PeJP	NA	NA
+PJ013844	SSTLKE 	C27H49N7O12	663.3439	NA	PeJP	NA	NA
+PJ013845	AALKMM 	C28H53N7O7S2	663.3448	NA	PeJP	NA	NA
+PJ013846	GEFRR 	C28H45N11O8	663.3453	NA	PeJP	NA	NA
+PJ013847	TTMRR 	C25H49N11O8S	663.3487	NA	PeJP	NA	NA
+PJ013848	GVFRW 	C33H45N9O6	663.3493	NA	PeJP	NA	NA
+PJ013849	SSTTLR 	C26H49N9O11	663.3552	NA	PeJP	NA	NA
+PJ013850	VKMMR 	C27H53N9O6S2	663.356	NA	PeJP	NA	NA
+PJ013851	SKHHR 	C27H45N13O7	663.3565	NA	PeJP	NA	NA
+PJ013852	PKKEY 	C31H49N7O9	663.3592	NA	PeJP	NA	NA
+PJ013853	FRRW 	C32H45N11O5	663.3605	NA	PeJP	NA	NA
+PJ013854	ATTLKM 	C28H53N7O9S	663.3626	NA	PeJP	NA	NA
+PJ013855	PTKRY 	C30H49N9O8	663.3704	NA	PeJP	NA	NA
+PJ013856	GGAPLLH 	C30H49N9O8	663.3705	NA	PeJP	NA	NA
+PJ013857	GTCKKK 	C27H53N9O8S	663.3738	NA	PeJP	NA	NA
+PJ013858	ALKFW 	C35H49N7O6	663.3745	NA	PeJP	NA	NA
+C13900	1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine	C32H58NO11P	663.3747	NA	KEGG	NA	NA
+PJ013859	TTTTLK 	C28H53N7O11	663.3803	NA	PeJP	NA	NA
+PJ013860	GLRRY 	C29H49N11O7	663.3817	NA	PeJP	NA	NA
+PJ013861	SSSKKK 	C27H53N9O10	663.3916	NA	PeJP	NA	NA
+PJ013862	PVHRR 	C28H49N13O6	663.3929	NA	PeJP	NA	NA
+PJ013863	LLQKY 	C32H53N7O8	663.3956	NA	PeJP	NA	NA
+PJ013864	VVKRY 	C31H53N9O7	663.4068	NA	PeJP	NA	NA
+MJ089292	7,9(11)-Multifloradiene-3,29-diol; 3?-form, 3-O-(4-Aminobenzoyl), 29-O-benzoyl 	C44H57NO4	663.428759	NA	MeJP	NA	NA
+PJ013865	LLKKY 	C33H57N7O7	663.432	NA	PeJP	NA	NA
+MJ089293	Cholest-5-ene-3,15,26-triol, 15-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac 	C37H61NO9	663.434632	NA	MeJP	NA	NA
+MJ089294	Cholest-6-ene-3,15,26-triol, 15-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac 	C37H61NO9	663.434632	NA	MeJP	NA	NA
+HMDB08824	PE(14:0/16:0)	C35H70NO8P	663.483887	NA	HMDB2010	NA	NA
+HMDB08889	PE(15:0/15:0)	C35H70NO8P	663.483887	NA	HMDB2010	NA	NA
+HMDB08920	PE(16:0/14:0)	C35H70NO8P	663.483887	NA	HMDB2010	NA	NA
+MJ089295	Pamamycin; Pamamycin 663 	C39H69NO7	663.507403	NA	MeJP	NA	NA
+HMDB04957	Ceramide (d18:1/25:0)	C43H85NO3	663.65295	http://www.hmdb.ca/metabolites/HMDB04957	HMDB	NA	NA
+HMDB04957	Ceramide (d18:1/25:0)	C43H85NO3	663.65295	HMDB04957	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04957	Ceramide (d18:1/25:0)	C43H85NO3	663.652954	NA	HMDB2010	NA	NA
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR436	Methylcobalamine (degrade en cobalamine) F1	NA	663.776075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR436	Methylcobalamine (degrade en cobalamine) F1	NA	663.776075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR436	Methylcobalamine (degrade en cobalamine) F1	NA	663.776075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR436	Méthylcobalamine (dégradé en cobalamine) F1	F1	663.776075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR436	Methylcobalamine (degrade en cobalamine) F1	NA	663.776075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR436	Methylcobalamine (degrade en cobalamine) F1	F1	663.776075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01179	Nicotinic acid adenine dinucleotide	C21H26N6O15P2	664.09314	http://www.hmdb.ca/metabolites/HMDB01179	HMDB	NA	NA
+HMDB01179	Nicotinic acid adenine dinucleotide	C21H26N6O15P2	664.09314	HMDB01179	PFEM_hmdb_metabocards_official	NA	NA
+PJ013866	CCCCCM 	C20H36N6O7S6	664.097	NA	PeJP	NA	NA
+MJ089296	?-D-Mannopyranosyloxyphosphinico-(1?6)-?-D-mannopyranosyloxyphosphinico-(1?6)-D-mannose 	C18H34O22P2	664.101695	NA	MeJP	NA	NA
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR261	Nicotinamide adénine di nucléotide F1	NA	664.102075	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR261	Nicotinamide adenine di nucleotide F1	NA	664.102075	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ089297	Zilantel 	C26H38N2O6P2S4	664.108792	NA	MeJP	NA	NA
+C00003	NAD+	C21H28N7O14P2	664.1169	NA	KEGG	NA	NA
+HMDB00902	NAD	C21H28N7O14P2	664.11694	http://www.hmdb.ca/metabolites/HMDB00902	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00902	NAD	C21H28N7O14P2	664.11694	http://www.hmdb.ca/metabolites/HMDB00902	HMDB	NA	NA
+HMDB00902	NAD	C21H28N7O14P2	664.11694	http://www.hmdb.ca/metabolites/HMDB00902	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00902	NAD	C21H28N7O14P2	664.11694	HMDB00902	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00902	NAD	C21H28N7O14P2	664.116943	NA	HMDB2010	NA	NA
+MJ089298	NAD+ 	C21H28N7O14P2	664.116946	NA	MeJP	NA	NA
+MetaCyc04023	NAD+ [coenzyme I;diphosphopyridine nucleotide;diphosphopyridine nucleotide oxidized;nicotinamide adenine dinucleotide;nicotinamide adenine dinucleotide oxidized;NAD-oxidized;NAD-ox;NAD+;DPN+;DPN-ox;DPN;&beta;-nicotinamide adenine dinucleotide;NAD;]	C21H28N7O14P2	664.116947	53-84-9	metacyc	NA	NA
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	HMDB	NA	NA
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	Inhouse_PFEM	NA	NA
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.116954	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.117	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.117	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.117	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR058	nicotinamide adenine dinucleotide 	C21H28N7O14P2	664.117	Wishlist	Inhousejuil11	NA	NA
+PJ013867	ACCCCY 	C24H36N6O8S4	664.1478	NA	PeJP	NA	NA
+MJ089299	3,4',5,7-Tetrahydroxyflavan(2?7,4?8)-3,4',5,7-tetrahydroxyflavan, 3-O-(4-Hydroxybenzoyl) 	C37H28O12	664.158076	NA	MeJP	NA	NA
+PJ013868	PCCCCH 	C23H36N8O7S4	664.159	NA	PeJP	NA	NA
+FL3FAAGS0052	Apigenin 7-(6''-malonylneohesperidoside)	C30H32O17	664.16394	127450-66-7	knapsack	NA	NA
+MJ089300	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside], 	C30H32O17	664.163949	NA	MeJP	NA	NA
+PJ013869	SSCCCY 	C24H36N6O10S3	664.1655	NA	PeJP	NA	NA
+PJ013870	GCCDMH 	C23H36N8O9S3	664.1768	NA	PeJP	NA	NA
+PJ013871	GDDDDE 	C23H32N6O17	664.1824	NA	PeJP	NA	NA
+MJ089301	Antibiotic AT 2433; Antibiotic AT 2433A2 	C33H33ClN4O9	664.193606	NA	MeJP	NA	NA
+PJ013872	SSCCEH 	C23H36N8O11S2	664.1945	NA	PeJP	NA	NA
+PJ013873	DDDDW 	C27H32N6O14	664.1977	NA	PeJP	NA	NA
+PJ013874	CCNYY 	C28H36N6O9S2	664.1985	NA	PeJP	NA	NA
+FL3FEAGS0025	Pectolinarigenin 7-(4'''-acetylrutinoside);Linariin;Pectolinarin, 4'''-acetate;7-[[6-O-(4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C31H36O16	664.20033	53755-56-9	knapsack	NA	NA
+FL3FEAGS0034	Scutellarein 6,4'-dimethyl ether 7-(2'''-acetylrutinoside);Isolinariin A;Pectolinarin 2'''-acetate;7-[[6-O-(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C31H36O16	664.20033	145613-81-6	knapsack	NA	NA
+FL3FEAGS0035	Scutellarein 6,4'-dimethyl ether 7-(3'''-acetylrutinoside)	C31H36O16	664.20033	145613-82-7	knapsack	NA	NA
+MJ089302	4',5,6,7-Tetrahydroxyflavone; 4',5-Di-Me ether, 7-O-[4-O-acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H36O16	664.200335	NA	MeJP	NA	NA
+MJ089303	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H36O16	664.200335	NA	MeJP	NA	NA
+MJ089304	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H36O16	664.200335	NA	MeJP	NA	NA
+MJ089305	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H36O16	664.200335	NA	MeJP	NA	NA
+MJ089306	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-Ac 	C31H36O16	664.200335	NA	MeJP	NA	NA
+MJ089307	Justisolin; 7-Epimer, O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C31H36O16	664.200335	NA	MeJP	NA	NA
+MJ089308	Justisolin; 7-Epimer, O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H36O16	664.200335	NA	MeJP	NA	NA
+PJ013875	SPCDDE 	C24H36N6O14S	664.2011	NA	PeJP	NA	NA
+PJ013876	PPCCDM 	C25H40N6O9S3	664.2019	NA	PeJP	NA	NA
+PJ013877	GNNDDM 	C23H36N8O13S	664.2123	NA	PeJP	NA	NA
+PJ013878	ATCCMH 	C24H40N8O8S3	664.2131	NA	PeJP	NA	NA
+PJ013879	GSCMMH 	C24H40N8O8S3	664.2132	NA	PeJP	NA	NA
+PJ013880	GSDEEE 	C24H36N6O16	664.2188	NA	PeJP	NA	NA
+PJ013881	GPDDMM 	C25H40N6O11S2	664.2197	NA	PeJP	NA	NA
+MJ089309	Ussurienoside I; O-De-Me, 3'-O-?-D-glucopyranoside 	C28H40O18	664.221464	NA	MeJP	NA	NA
+PJ013882	SCNNNN 	C22H36N10O12S	664.2235	NA	PeJP	NA	NA
+PJ013883	CNNEW 	C27H36N8O10S	664.2275	NA	PeJP	NA	NA
+PJ013884	SSNNDE 	C23H36N8O15	664.23	NA	PeJP	NA	NA
+PJ013885	GGGGSSDE 	C23H36N8O15	664.2301	NA	PeJP	NA	NA
+MJ089310	Scleroderris yellow 	C39H36O10	664.230847	NA	MeJP	NA	NA
+PJ013886	SSTCMH 	C24H40N8O10S2	664.2309	NA	PeJP	NA	NA
+PJ013887	SDEEW 	C28H36N6O13	664.2341	NA	PeJP	NA	NA
+PJ013888	PCEMW 	C29H40N6O8S2	664.2349	NA	PeJP	NA	NA
+MJ089311	4',5,6,7-Tetrahydroxy-8-prenylflavanone, 5-O-Rutinoside 	C32H40O15	664.23672	NA	MeJP	NA	NA
+MJ089312	4',5,7-Trihydroxy-8-prenylflavanone, 4',7-Di-O-?-D-glucopyranoside 	C32H40O15	664.23672	NA	MeJP	NA	NA
+FL2FAAGI0001	Flavaprenin 7,4'-diglucoside	C32H40O15	664.23672	86919-11-1	knapsack	NA	NA
+FL2FEAGI0001	Nirurin	C32H40O15	664.23672	96253-68-8	knapsack	NA	NA
+PJ013889	QEEEM 	C25H40N6O13S	664.2374	NA	PeJP	NA	NA
+PJ013890	SPPCMM 	C26H44N6O8S3	664.2383	NA	PeJP	NA	NA
+PJ013891	GPCDHH 	C26H36N10O9S	664.2388	NA	PeJP	NA	NA
+MJ089313	Thalictrinine 	C38H36N2O9	664.24208	NA	MeJP	NA	NA
+PJ013892	GCNWW 	C31H36N8O7S	664.2428	NA	PeJP	NA	NA
+PJ013893	GSSNDW 	C27H36N8O12	664.2453	NA	PeJP	NA	NA
+PJ013894	CQMHF 	C28H40N8O7S2	664.2462	NA	PeJP	NA	NA
+PJ013895	DDEMR 	C24H40N8O12S	664.2487	NA	PeJP	NA	NA
+MJ089314	3-(4-Hydroxy-3-methoxyphenyl)-2,3-bis[4-(3-hydroxy-1-propenyl)-2-methoxyphenoxy]-1-propanol; 9,9',9''-Tri-Ac 	C36H40O12	664.251976	NA	MeJP	NA	NA
+PJ013896	AEEMW 	C29H40N6O10S	664.2527	NA	PeJP	NA	NA
+PJ013897	GTTEEE 	C25H40N6O15	664.2552	NA	PeJP	NA	NA
+PJ013898	GPTEMM 	C26H44N6O10S2	664.2561	NA	PeJP	NA	NA
+PJ013899	NEEHH 	C26H36N10O11	664.2565	NA	PeJP	NA	NA
+PJ013900	CCHFR 	C27H40N10O6S2	664.2574	NA	PeJP	NA	NA
+PJ013901	GSCNER 	C23H40N10O11S	664.2599	NA	PeJP	NA	NA
+PJ013902	SNQMW 	C28H40N8O9S	664.2639	NA	PeJP	NA	NA
+PJ013903	SSSQQE 	C24H40N8O14	664.2664	NA	PeJP	NA	NA
+MJ089315	Alopecurone A; 2'-Me ether 	C40H40O9	664.267232	NA	MeJP	NA	NA
+MJ089316	Alopecurone A; 7-Epimer, 2'-Me ether 	C40H40O9	664.267232	NA	MeJP	NA	NA
+PJ013904	QQQMM 	C25H44N8O9S2	664.2673	NA	PeJP	NA	NA
+PJ013905	GSNNHH 	C25H36N12O10	664.2678	NA	PeJP	NA	NA
+PJ013906	PPCYW 	C33H40N6O7S	664.2679	NA	PeJP	NA	NA
+PJ013907	TTEEW 	C29H40N6O12	664.2704	NA	PeJP	NA	NA
+PJ013908	GAPEEY 	C29H40N6O12	664.2705	NA	PeJP	NA	NA
+PJ013909	PTMMW 	C30H44N6O7S2	664.2713	NA	PeJP	NA	NA
+PJ013910	GEHHW 	C30H36N10O8	664.2718	NA	PeJP	NA	NA
+MJ089317	2',4',7-Trihydroxy-8-prenylflavan, 4'-Me ether, 2',7-di-O-?-D-glucopyranoside 	C33H44O14	664.273106	NA	MeJP	NA	NA
+MJ089318	4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2R*,3R*-Diacetoxy-2-methylbutanoyl), 6,19-di-Ac 	C33H44O14	664.273106	NA	MeJP	NA	NA
+MJ089319	4,18:11,16:15,16-Triepoxy-7,14-clerodadiene-2,3,6,19-tetrol, 3-(2R*,3S*-Diacetoxy-2-methylbutanoyl), 6,19-di-Ac 	C33H44O14	664.273106	NA	MeJP	NA	NA
+MJ089320	Azadirachtin F 	C33H44O14	664.273106	NA	MeJP	NA	NA
+MJ089321	Azadirachtin; 11-Deoxy, O1-detigloyl, O3-de-Ac, O3-(2-methylbutanoyl) 	C33H44O14	664.273106	NA	MeJP	NA	NA
+PJ013911	KEEEM 	C26H44N6O12S	664.2738	NA	PeJP	NA	NA
+PJ013912	GPVMMM 	C27H48N6O7S3	664.2747	NA	PeJP	NA	NA
+PJ013913	SCNRW 	C27H40N10O8S	664.2751	NA	PeJP	NA	NA
+PJ013914	GGSCRW 	C27H40N10O8S	664.2752	NA	PeJP	NA	NA
+MJ089322	Maytansinol; 15-Methoxy, 3-O-(2-methylpropanoyl) 	C33H45ClN2O10	664.276273	NA	MeJP	NA	NA
+MJ089323	Maytansinol; 15R-Hydroxy, 3-O-(3-methylbutanoyl) 	C33H45ClN2O10	664.276273	NA	MeJP	NA	NA
+MJ089324	Maytansinol; 15S-Hydroxy, 3-O-(3-methylbutanoyl) 	C33H45ClN2O10	664.276273	NA	MeJP	NA	NA
+MJ089325	Maytansinol; 3-O-(3-Hydroxy-3-methylbutanoyl) 	C33H45ClN2O10	664.276273	NA	MeJP	NA	NA
+MJ089326	Maytansinol; 3-O-(3-Hydroxymethylbutanoyl) 	C33H45ClN2O10	664.276273	NA	MeJP	NA	NA
+MJ089327	Maytansinol; 30-Hydroxy, 3-O-(3-methylbutanoyl) 	C33H45ClN2O10	664.276273	NA	MeJP	NA	NA
+PJ013915	SSSNDR 	C23H40N10O13	664.2777	NA	PeJP	NA	NA
+PJ013916	NNMMR 	C24H44N10O8S2	664.2785	NA	PeJP	NA	NA
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR437	Methylcobalamine (degrade en cobalamine) F2	NA	664.279675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR437	Methylcobalamine (degrade en cobalamine) F2	NA	664.279675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR437	Methylcobalamine (degrade en cobalamine) F2	NA	664.279675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR437	Méthylcobalamine (dégradé en cobalamine) F2	F2	664.279675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR437	Methylcobalamine (degrade en cobalamine) F2	NA	664.279675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR437	Methylcobalamine (degrade en cobalamine) F2	F2	664.279675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ089328	Antibiotic WIN 64821 	C40H36N6O4	664.279803	NA	MeJP	NA	NA
+MJ089329	Asperazine 	C40H36N6O4	664.279803	NA	MeJP	NA	NA
+PJ013917	GSSTQW 	C28H40N8O11	664.2817	NA	PeJP	NA	NA
+PJ013918	CKMHF 	C29H44N8O6S2	664.2825	NA	PeJP	NA	NA
+PJ013919	GTTQQM 	C25H44N8O11S	664.285	NA	PeJP	NA	NA
+PJ013920	TEEMR 	C25H44N8O11S	664.2851	NA	PeJP	NA	NA
+PJ013921	APEYW 	C33H40N6O9	664.2857	NA	PeJP	NA	NA
+PJ013922	PMMMR 	C26H48N8O6S3	664.2859	NA	PeJP	NA	NA
+PJ013923	HHWW 	C34H36N10O5	664.287	NA	PeJP	NA	NA
+MJ089330	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-Cinnamoyl, 2,7,10,13-tetra-Ac 	C37H44O11	664.288362	NA	MeJP	NA	NA
+MJ089331	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 13-Ketone, 5-cinnamoyl(E-), 2,7,9,10-tetra-Ac 	C37H44O11	664.288362	NA	MeJP	NA	NA
+MJ089332	Taxuspine C; 7?-Acetoxy 	C37H44O11	664.288362	NA	MeJP	NA	NA
+PJ013924	SLEMW 	C30H44N6O9S	664.2891	NA	PeJP	NA	NA
+MJ089333	Cimiciduphytine 	C38H40N4O7	664.289699	NA	MeJP	NA	NA
+PJ013925	CCQRR 	C23H44N12O7S2	664.2898	NA	PeJP	NA	NA
+MJ089334	Muracein A 	C26H44N6O14	664.29155	NA	MeJP	NA	NA
+PJ013926	SSTLEE 	C26H44N6O14	664.2916	NA	PeJP	NA	NA
+PJ013927	AALEMM 	C27H48N6O9S2	664.2924	NA	PeJP	NA	NA
+PJ013928	GVVEMM 	C27H48N6O9S2	664.2925	NA	PeJP	NA	NA
+PJ013929	NNDFR 	C27H40N10O10	664.2929	NA	PeJP	NA	NA
+PJ013930	GSSQMR 	C24H44N10O10S	664.2963	NA	PeJP	NA	NA
+PJ013931	GQQFW 	C32H40N8O8	664.2969	NA	PeJP	NA	NA
+PJ013932	SNKMW 	C29H44N8O8S	664.3003	NA	PeJP	NA	NA
+PJ013933	SSSQKE 	C25H44N8O13	664.3028	NA	PeJP	NA	NA
+PJ013934	VEMMR 	C26H48N8O8S2	664.3037	NA	PeJP	NA	NA
+PJ013935	SEHHR 	C26H40N12O9	664.3041	NA	PeJP	NA	NA
+PJ013936	PCLFW 	C34H44N6O6S	664.3043	NA	PeJP	NA	NA
+7563	ACE inhibitor from soy hydrolysate	YLAGNQ	664.3059	antioxidative	Inhouse_peptide	NA	peptide
+PJ013937	PKEEY 	C30H44N6O11	664.3068	NA	PeJP	NA	NA
+PJ013938	GSSCRR 	C23H44N12O9S	664.3075	NA	PeJP	NA	NA
+PJ013939	VVMMW 	C31H48N6O6S2	664.3077	NA	PeJP	NA	NA
+PJ013940	SVHHW 	C31H40N10O7	664.3082	NA	PeJP	NA	NA
+MJ089335	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 3-Furancarbonyl, bis(2-methylbutanoyl), di-Ac 	C34H48O13	664.309491	NA	MeJP	NA	NA
+MJ089336	8,17-Epoxy-2,3,9,12,14-pentahydroxy-5-briaren-18,7-olide; 3,12-Dibutanoyl, 2,9,14-tri-Ac 	C34H48O13	664.309491	NA	MeJP	NA	NA
+MJ089337	Macrolactin A; 7-O-(6-O-Succinoyl-?-D-glucopyranoside) 	C34H48O13	664.309491	NA	MeJP	NA	NA
+MJ089338	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Acetyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-6-deoxy-?-D-glucopyranoside] 	C34H48O13	664.309491	NA	MeJP	NA	NA
+MJ089339	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Acetyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-6-deoxy-?-D-glucopyranoside] 	C34H48O13	664.309491	NA	MeJP	NA	NA
+MJ089340	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Angeloyl-?-D-fucopyranosyl-(1?3)-4-O-acetyl-2-O-angeloyl-?-D-fucopyranoside] 	C34H48O13	664.309491	NA	MeJP	NA	NA
+3804	NA	YPWSL	664.31	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ013941	ATTLEM 	C27H48N6O11S	664.3102	NA	PeJP	NA	NA
+PJ013942	LQMHH 	C28H44N10O7S	664.3115	NA	PeJP	NA	NA
+PJ013943	GALMHH 	C28H44N10O7S	664.3116	NA	PeJP	NA	NA
+PJ013944	SSSTQR 	C24H44N10O12	664.314	NA	PeJP	NA	NA
+PJ013945	CQKMR 	C25H48N10O7S2	664.3149	NA	PeJP	NA	NA
+PJ013946	GSSTKW 	C29H44N8O10	664.3181	NA	PeJP	NA	NA
+7797	Antioxidant peptide derived from bovine b- and k-casein	ARHPHPHLSFM	664.3202	MH2+	Inhouse_peptide	NA	peptide
+MJ089341	Pimaricin; Amide 	C33H48N2O12	664.320725	NA	MeJP	NA	NA
+PJ013947	GSDKKM 	C26H48N8O10S	664.3214	NA	PeJP	NA	NA
+PJ013948	SPLYW 	C34H44N6O8	664.3221	NA	PeJP	NA	NA
+PJ013949	CLHHR 	C27H44N12O6S	664.3228	NA	PeJP	NA	NA
+PJ013950	AAPLMY 	C31H48N6O8S	664.3255	NA	PeJP	NA	NA
+PJ013951	CCKRR 	C24H48N12O6S2	664.3261	NA	PeJP	NA	NA
+PJ013952	TTTTLE 	C27H48N6O13	664.328	NA	PeJP	NA	NA
+PJ013953	GTLLMM 	C28H52N6O8S2	664.3288	NA	PeJP	NA	NA
+PJ013954	AQQRY 	C28H44N10O9	664.3293	NA	PeJP	NA	NA
+PJ013955	GSSKMR 	C25H48N10O9S	664.3327	NA	PeJP	NA	NA
+PJ013956	GQKFW 	C33H44N8O7	664.3333	NA	PeJP	NA	NA
+PJ013957	TCKKW 	C30H48N8O7S	664.3367	NA	PeJP	NA	NA
+PJ013958	SSSKKE 	C26H48N8O12	664.3392	NA	PeJP	NA	NA
+PJ013959	QKKMM 	C27H52N8O7S2	664.3401	NA	PeJP	NA	NA
+PJ013960	GNRRY 	C27H44N12O8	664.3405	NA	PeJP	NA	NA
+PJ013961	LLQEY 	C31H48N6O10	664.3432	NA	PeJP	NA	NA
+PJ013962	PKHHF 	C32H44N10O6	664.3446	NA	PeJP	NA	NA
+MJ089342	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(6-Methylheptanoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089343	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-Octanoyl, 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089344	21,23:22,28:26,28-Triepoxystigmasta-7,9(11)-diene-3,16,21,24-tetrol, 3-O-?-D-Glucopyranoside 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089345	22,28-Epoxy-3,24,26,28-tetrahydroxystigmasta-8,14-dien-21,23-olide, 3-O-?-D-Glucopyranoside 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089346	8,19-Epoxy-1(15)-trinervitene-2,3,7,9,14,17-hexol, 2,3,9,14,17-Pentapropanoyl 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089347	8,19-Epoxy-17-methyl-1(15)-trinervitene-2,3,7,9,14,17-hexol, 2,3,9,14-Tetrapropanoyl, 17-Ac 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089348	Cayaponoside D3b; 22-Ketone 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089349	Cayaponoside D3b; 23,24-Didehydro (E-) 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089350	Fevicordin F; 2-O-?-D-Glucopyranoside 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089351	Fevicordin F; 23,24-Dihydro, 22-ketone, 2-O-?-D-glucopyranoside 	C35H52O12	664.345877	NA	MeJP	NA	NA
+MJ089352	Premyrsinol; 5,17-Bis(2-methylpropanoyl), 3-propanoyl, 7,13-di-Ac 	C35H52O12	664.345877	NA	MeJP	NA	NA
+PJ013963	STTLLM 	C28H52N6O10S	664.3466	NA	PeJP	NA	NA
+PJ013964	LKMHH 	C29H48N10O6S	664.3479	NA	PeJP	NA	NA
+MJ089353	Cholestane-3,6,7,15,24-pentol, 24-O-?-D-Xylopyranoside, 15-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089354	Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 3-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089355	Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 6-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089356	Cholestane-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089357	Cholestane-3,6,8,15,24-pentol, 24-O-(5-O-Sulfo-?-D-xylofuranoside) 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089358	Cholestane-3,6,8,15,24-pentol, 24-O-(5-O-Sulfo-?-L-arabinofuranoside) 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089359	Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Xylopyranoside, 3-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089360	Cholestane-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089361	Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Sulfo-?-D-xylopyranoside) 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+MJ089362	Cholestane-3,6,8,15,24-pentol, 24-O-?-L-Arabinofuranoside, 6-sulfate 	C32H56O12S	664.349247	NA	MeJP	NA	NA
+PJ013965	SSSTKR 	C25H48N10O11	664.3504	NA	PeJP	NA	NA
+PJ013966	CKKMR 	C26H52N10O6S2	664.3513	NA	PeJP	NA	NA
+PJ013967	VQQKY 	C30H48N8O9	664.3544	NA	PeJP	NA	NA
+PJ013968	VVERY 	C30H48N8O9	664.3545	NA	PeJP	NA	NA
+PJ013969	GTTKKM 	C27H52N8O9S	664.3578	NA	PeJP	NA	NA
+PJ013970	ALLYW 	C35H48N6O7	664.3585	NA	PeJP	NA	NA
+PJ013971	AALLMF 	C32H52N6O7S	664.3619	NA	PeJP	NA	NA
+PJ013972	AQKRY 	C29H48N10O8	664.3657	NA	PeJP	NA	NA
+PJ013973	GKKFW 	C34H48N8O6	664.3697	NA	PeJP	NA	NA
+PJ013974	VLMFR 	C31H52N8O6S	664.3731	NA	PeJP	NA	NA
+PJ013975	STTTKK 	C27H52N8O11	664.3756	NA	PeJP	NA	NA
+PJ013976	KKKMM 	C28H56N8O6S2	664.3764	NA	PeJP	NA	NA
+PJ013977	PQKHR 	C28H48N12O7	664.3769	NA	PeJP	NA	NA
+PJ013978	LLKEY 	C32H52N6O9	664.3796	NA	PeJP	NA	NA
+MJ089363	2,16,20,22-Tetrahydroxy-5,24-cucurbitadiene-3,11-dione, 2-O-?-D-Glucopyranoside 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089364	2,3,16,20,26-Pentahydroxycucurbita-5,24-dien-11-one, 3-Ketone, 2-O-?-D-glucopyranoside 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089365	2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, 24-Aldehyde, ?-D-glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089366	2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, 24-Aldehyde, ?-D-glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089367	2,3,19-Trihydroxy-12-oleanen-28-oic acid, ?-D-Glucuronopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089368	2,3,19-Trihydroxy-23-oxo-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089369	2,3,23-Trihydroxy-11-oxo-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089370	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 30-Me ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089371	2,3,6,23-Tetrahydroxy-12,18-ursadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089372	2,3,6,23-Tetrahydroxy-12,19(29)-ursadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089373	2,3,6,23-Tetrahydroxy-12,19-ursadien-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089374	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089375	20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 26-Deoxy, 3-ketone, 2-O-?-D-glucopyranoside 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089376	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089377	3,14-Dihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-3-O-methylglucopyranosyl-(1??)-2,6-dideoxy-ribo-hexopyranoside] 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089378	3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089379	3,16-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089380	3,19,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089381	3,19-Dihydroxy-12-ursene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089382	3,19-Dihydroxy-12-ursene-24,28-dioic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089383	3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 28-?-D-glucopyranosyl ester 	C36H56O11	664.382262	NA	MeJP	NA	NA
+MJ089384	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H56O11	664.382262	NA	MeJP	NA	NA
+C08968	Phytolaccoside B	C36H56O11	664.3823	NA	KEGG	NA	NA
+PJ013979	TLLRY 	C31H52N8O8	664.3908	NA	PeJP	NA	NA
+PJ013980	GGPPPLK 	C31H52N8O8	664.3909	NA	PeJP	NA	NA
+MJ089385	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C40H56O8	664.397518	NA	MeJP	NA	NA
+MJ089386	2,3,24-Trihydroxy-12-ursen-28-oic acid, 24-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C40H56O8	664.397518	NA	MeJP	NA	NA
+MJ089387	3,19,24-Trihydroxy-12-ursen-28-oic acid, 24-O-(3-Hydroxy-4-methoxycinnamoyl) 	C40H56O8	664.397518	NA	MeJP	NA	NA
+MJ089388	Bisandrographolide A 	C40H56O8	664.397518	NA	MeJP	NA	NA
+MJ089389	Nephila maculata Neurotoxin 3 	C30H52N10O7	664.402044	NA	MeJP	NA	NA
+PJ013981	AKKRY 	C30H52N10O7	664.4021	NA	PeJP	NA	NA
+MJ089390	Bisdequalinium(2+); Dichloride 	C40H58Cl2N4	664.403853	NA	MeJP	NA	NA
+PJ013982	PKKHR 	C29H52N12O6	664.4133	NA	PeJP	NA	NA
+MJ089391	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Hexaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol, Sulfate 	C41H60O5S	664.416145	NA	MeJP	NA	NA
+MJ089392	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside) 	C37H60O10	664.418648	NA	MeJP	NA	NA
+MJ089393	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-?-D-glucopyranoside 	C37H60O10	664.418648	NA	MeJP	NA	NA
+MJ089394	3,7,15-Trihydroxy-24-methylenelanost-8-en-21-oic acid, 7-O-?-D-Glucopyranoside 	C37H60O10	664.418648	NA	MeJP	NA	NA
+MJ089395	Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro, 16-O-(2,3-di-O-acetyl-?-L-rhamnopyranoside) 	C37H60O10	664.418648	NA	MeJP	NA	NA
+MJ089396	Flavofungin; Flavofungin II 	C37H60O10	664.418648	NA	MeJP	NA	NA
+PJ013983	VKKKY 	C32H56N8O7	664.4272	NA	PeJP	NA	NA
+MJ089397	3,21-Dihydroxy-28-oleananoic acid, 3-O-(3,4-Dihydroxy-E-cinnamoyl) 	C41H60O7	664.433904	NA	MeJP	NA	NA
+PJ013984	PPLLLL 	C34H60N6O7	664.4524	NA	PeJP	NA	NA
+MJ089398	Dammar-24-ene-3,11,20-triol, 3-O-[2-O-Acetyl-?-D-glucopyranoside] 	C38H64O9	664.455033	NA	MeJP	NA	NA
+MJ089399	Petroformyne 1; 3,44-Diketone 	C46H64O3	664.485545	NA	MeJP	NA	NA
+MJ089400	Petroformyne 1; 8,9,14,15-Tetradehydro(Z,Z-), 12,13-dihydro, 3-ketone 	C46H64O3	664.485545	NA	MeJP	NA	NA
+MJ089401	Antibiotic BE 39891 	C39H68O8	664.491419	NA	MeJP	NA	NA
+MJ089402	Tonkinesin A; 5-Ketone, 15,22-diepimer, 17-Ac 	C39H68O8	664.491419	NA	MeJP	NA	NA
+MJ089403	Tonkinesin A; 5-Ketone, 17-Ac 	C39H68O8	664.491419	NA	MeJP	NA	NA
+MJ089404	Uvaribonin; 5-Ketone 	C39H68O8	664.491419	NA	MeJP	NA	NA
+MJ089405	Squalamine; 24-Desulfo, 24-ketone, 26-(2-amino-2-carboxyethylthio) 	C37H68N4O4S	664.496127	NA	MeJP	NA	NA
+HMDB05238	DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H68O5	664.50665	http://www.hmdb.ca/metabolites/HMDB05238	HMDB	NA	NA
+HMDB05238	DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H68O5	664.50665	HMDB05238	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07266	DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07293	DG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07294	DG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07322	DG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07323	DG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07350	DG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07462	DG(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07491	DG(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07518	DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07519	DG(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07547	DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07548	DG(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07574	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07575	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07686	DG(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07713	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07714	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07742	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07743	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+HMDB07770	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)	C43H68O5	664.506653	NA	HMDB2010	NA	NA
+MJ089406	13,14-Secocholest-7-ene-3,6,26-triol, 3,26-Di-(5,7-Octadienoyl) 	C43H68O5	664.506675	NA	MeJP	NA	NA
+MJ089407	Variabilin, 18-Octadecanoyl 	C43H68O5	664.506675	NA	MeJP	NA	NA
+MJ089408	3-Hydroxy-13,14-secocholest-5-en-26-oic acid, 3-(11,13,15-Hexadecatrienoyl), Me ester 	C44H72O4	664.54306	NA	MeJP	NA	NA
+MJ089409	3-Hydroxystigmasta-5,22-dien-1-one, O-Hexadecanoyl 	C45H76O3	664.579446	NA	MeJP	NA	NA
+HMDB07094	DG(15:0/24:1(15Z)/0:0)	C42H80O5	664.600586	NA	HMDB2010	NA	NA
+HMDB07822	DG(24:1(15Z)/15:0/0:0)	C42H80O5	664.600586	NA	HMDB2010	NA	NA
+MJ089410	12-Lupen-3-ol, Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089411	12-Oleanen-3-ol, O-Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089412	12-Ursen-3-ol, Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089413	18-Oleanen-3-ol, O-Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089414	20(29)-Lupen-3-ol, Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089415	20(30)-Taraxasten-3-ol, Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089416	5-Glutinen-3-ol, 3-Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089417	7-Multifloren-3-ol, Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089418	9(11)-Fernen-20-ol; 20?-form, 20-Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089419	9(11)-Fernen-3-ol, Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089420	Achilleol A; Hexadecanoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+MJ089421	Ergost-5-en-3-ol, 9Z-Octadecenoyl 	C46H80O2	664.615831	NA	MeJP	NA	NA
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR438	Methylcobalamine (degrade en cobalamine) F3	NA	664.781475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR438	Methylcobalamine (degrade en cobalamine) F3	NA	664.781475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR438	Methylcobalamine (degrade en cobalamine) F3	NA	664.781475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR438	Méthylcobalamine (dégradé en cobalamine) F3	F3	664.781475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR438	Methylcobalamine (degrade en cobalamine) F3	NA	664.781475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR438	Methylcobalamine (degrade en cobalamine) F3	F3	664.781475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7673	ACE inhibitor from b-CN (48-59), mouse	HSSIQSQPQAFT	664.808	MH2+	Inhouse_peptide	NA	peptide
+HMDB01179	Nicotinic acid adenine dinucleotide	C21H27N6O15P2	665.100952	NA	HMDB2010	NA	NA
+MJ089422	Deamino-NAD+ 	C21H27N6O15P2	665.100962	NA	MeJP	NA	NA
+MetaCyc04024	deamido-NAD [Deamino-NAD+;NaADN;deamido-NAD+;deamidonicotinamide adenine dinucleoetide;nicotinate adenine dinucleotide;NAAD;]	C21H27N6O15P2	665.100962	6450-77-7	metacyc	NA	NA
+C00857	Deamino-NAD+	C21H27N6O15P2	665.101	NA	KEGG	NA	NA
+C04423	Nicotinamide hypoxanthine dinucleotide	C21H27N6O15P2	665.101	NA	KEGG	NA	NA
+HMDB01487	NADH	C21H29N7O14P2	665.124756	NA	HMDB2010	NA	NA
+HMDB01487	NADH	C21H29N7O14P2	665.12476	http://www.hmdb.ca/metabolites/HMDB01487	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01487	NADH	C21H29N7O14P2	665.12476	http://www.hmdb.ca/metabolites/HMDB01487	HMDB	NA	NA
+HMDB01487	NADH	C21H29N7O14P2	665.12476	http://www.hmdb.ca/metabolites/HMDB01487	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01487	NADH	C21H29N7O14P2	665.12476	HMDB01487	PFEM_hmdb_metabocards_official	NA	NA
+MJ089423	NADH 	C21H29N7O14P2	665.124771	NA	MeJP	NA	NA
+MetaCyc04025	NADH [NADH2;NADH2;dihydrodiphosphopyridine nucleotide;diphosphopyridine nucleotide reduced;dihydronicotinamide adenine dinucleotide;nicotinamide adenine dinucleotide reduced;NAD-reduced;NADH+H+;DPNH;]	C21H29N7O14P2	665.124772	53-84-9	metacyc	NA	NA
+C00004	NADH	C21H29N7O14P2	665.1248	NA	KEGG	NA	NA
+FL7AAAGA0007	Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(methyl-malonyl)-bata-D-galactopyranoside]	C30H33O17	665.17177	345306-91-4	knapsack	NA	NA
+PJ013985	SCCCNH 	C22H35N9O9S3	665.172	NA	PeJP	NA	NA
+PJ013986	PCCNDD 	C23H35N7O12S2	665.1785	NA	PeJP	NA	NA
+PJ013987	GGPCCDD 	C23H35N7O12S2	665.1786	NA	PeJP	NA	NA
+PJ013988	CCDYY 	C28H35N5O10S2	665.1826	NA	PeJP	NA	NA
+PJ013989	GNDDDM 	C23H35N7O14S	665.1963	NA	PeJP	NA	NA
+PJ013990	GSPPCCC 	C24H39N7O9S3	665.1972	NA	PeJP	NA	NA
+PJ013991	CCMFY 	C29H39N5O7S3	665.2012	NA	PeJP	NA	NA
+PJ013992	SCNNND 	C22H35N9O13S	665.2075	NA	PeJP	NA	NA
+PJ013993	GGGGGGSCD 	C22H35N9O13S	665.2076	NA	PeJP	NA	NA
+PJ013994	CNDEW 	C27H35N7O11S	665.2116	NA	PeJP	NA	NA
+PJ013995	SSNDDE 	C23H35N7O16	665.214	NA	PeJP	NA	NA
+PJ013996	GGSSDDE 	C23H35N7O16	665.2141	NA	PeJP	NA	NA
+PJ013997	SPCNDM 	C24H39N7O11S2	665.2149	NA	PeJP	NA	NA
+PJ013998	SCMYY 	C29H39N5O9S2	665.2189	NA	PeJP	NA	NA
+PJ013999	EEEEM 	C25H39N5O14S	665.2214	NA	PeJP	NA	NA
+MJ089424	Scleroderris green 	C38H35NO10	665.226096	NA	MeJP	NA	NA
+PJ014000	GCNNQM 	C23H39N9O10S2	665.2262	NA	PeJP	NA	NA
+PJ014001	GCDWW 	C31H35N7O8S	665.2268	NA	PeJP	NA	NA
+PJ014002	GSSDDW 	C27H35N7O13	665.2293	NA	PeJP	NA	NA
+PJ014003	GPTCCW 	C28H39N7O8S2	665.2302	NA	PeJP	NA	NA
+PJ014004	GSNEEM 	C24H39N7O13S	665.2327	NA	PeJP	NA	NA
+PJ014005	APCNMM 	C25H43N7O8S3	665.2335	NA	PeJP	NA	NA
+PJ014006	GPCQMM 	C25H43N7O8S3	665.2336	NA	PeJP	NA	NA
+PJ014007	CCFFF 	C33H39N5O6S2	665.2342	NA	PeJP	NA	NA
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR439	Methylcobalamine (degrade en cobalamine) F4	NA	665.235275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR439	Methylcobalamine (degrade en cobalamine) F4	NA	665.235275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR439	Methylcobalamine (degrade en cobalamine) F4	NA	665.235275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR439	Méthylcobalamine (dégradé en cobalamine) F4	F4	665.235275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR439	Methylcobalamine (degrade en cobalamine) F4	NA	665.235275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR439	Methylcobalamine (degrade en cobalamine) F4	F4	665.235275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ014008	GCCNNR 	C22H39N11O9S2	665.2374	NA	PeJP	NA	NA
+PJ014009	DEEHH 	C26H35N9O12	665.2406	NA	PeJP	NA	NA
+PJ014010	GSCDER 	C23H39N9O12S	665.2439	NA	PeJP	NA	NA
+PJ014011	GPCCMR 	C24H43N9O7S3	665.2448	NA	PeJP	NA	NA
+PJ014012	SNEMW 	C28H39N7O10S	665.2479	NA	PeJP	NA	NA
+PJ014013	SSSQEE 	C24H39N7O15	665.2504	NA	PeJP	NA	NA
+PJ014014	QQEMM 	C25H43N7O10S2	665.2513	NA	PeJP	NA	NA
+PJ014015	GSNDHH 	C25H35N11O11	665.2518	NA	PeJP	NA	NA
+PJ014016	ACFYY 	C33H39N5O8S	665.2519	NA	PeJP	NA	NA
+PJ014017	SCFFY 	C33H39N5O8S	665.252	NA	PeJP	NA	NA
+PJ014018	PEEEY 	C29H39N5O13	665.2545	NA	PeJP	NA	NA
+PJ014019	SCDRW 	C27H39N9O9S	665.2592	NA	PeJP	NA	NA
+PJ014020	SSSDDR 	C23H39N9O14	665.2617	NA	PeJP	NA	NA
+PJ014021	NDMMR 	C24H43N9O9S2	665.2625	NA	PeJP	NA	NA
+PJ014022	GGDMMR 	C24H43N9O9S2	665.2626	NA	PeJP	NA	NA
+PJ014023	GSMWW 	C32H39N7O7S	665.2632	NA	PeJP	NA	NA
+PJ014024	GSSTEW 	C28H39N7O12	665.2657	NA	PeJP	NA	NA
+PJ014025	AQMMW 	C29H43N7O7S2	665.2666	NA	PeJP	NA	NA
+PJ014026	GSDKEM 	C25H43N7O12S	665.2691	NA	PeJP	NA	NA
+PJ014027	GTYYY 	C33H39N5O10	665.2697	NA	PeJP	NA	NA
+PJ014028	GPCKMM 	C26H47N7O7S3	665.2699	NA	PeJP	NA	NA
+PJ014029	NQMHH 	C26H39N11O8S	665.2704	NA	PeJP	NA	NA
+PJ014030	CCERR 	C23H43N11O8S2	665.2738	NA	PeJP	NA	NA
+PJ014031	NNQQY 	C27H39N9O11	665.2769	NA	PeJP	NA	NA
+PJ014032	GGGGGGAAY 	C27H39N9O11	665.277	NA	PeJP	NA	NA
+PJ014033	ACMRW 	C28H43N9O6S2	665.2778	NA	PeJP	NA	NA
+PJ014034	GSSEMR 	C24H43N9O11S	665.2803	NA	PeJP	NA	NA
+PJ014035	SSTWW 	C32H39N7O9	665.2809	NA	PeJP	NA	NA
+PJ014036	GGSPYW 	C32H39N7O9	665.281	NA	PeJP	NA	NA
+PJ014037	CNHHR 	C25H39N13O7S	665.2816	NA	PeJP	NA	NA
+PJ014038	GGCHHR 	C25H39N13O7S	665.2817	NA	PeJP	NA	NA
+PJ014039	SDKMW 	C29H43N7O9S	665.2843	NA	PeJP	NA	NA
+PJ014040	SSSKEE 	C25H43N7O14	665.2868	NA	PeJP	NA	NA
+PJ014041	QKEMM 	C26H47N7O9S2	665.2877	NA	PeJP	NA	NA
+PJ014042	GSTQHH 	C26H39N11O10	665.2882	NA	PeJP	NA	NA
+PJ014043	LEEEF 	C30H43N5O12	665.2909	NA	PeJP	NA	NA
+PJ014044	PEHHF 	C31H39N9O8	665.2922	NA	PeJP	NA	NA
+PJ014045	SSMRW 	C28H43N9O8S	665.2955	NA	PeJP	NA	NA
+PJ014046	GAPCRY 	C28H43N9O8S	665.2956	NA	PeJP	NA	NA
+PJ014047	QFWW 	C36H39N7O6	665.2962	NA	PeJP	NA	NA
+PJ014048	SSSTER 	C24H43N9O13	665.2981	NA	PeJP	NA	NA
+PJ014049	TQMMR 	C25H47N9O8S2	665.2989	NA	PeJP	NA	NA
+PJ014050	CLHFF 	C33H43N7O6S	665.2996	NA	PeJP	NA	NA
+PJ014051	SSSSLW 	C29H43N7O11	665.3021	NA	PeJP	NA	NA
+PJ014052	AKMMW 	C30H47N7O6S2	665.3029	NA	PeJP	NA	NA
+PJ014053	VCKMW 	C30H47N7O6S2	665.303	NA	PeJP	NA	NA
+C08073	Natamycin	C33H47NO13	665.3047	NA	KEGG	NA	NA
+MJ089425	Pimaricin 	C33H47NO13	665.30474	NA	MeJP	NA	NA
+PJ014054	GTTKEM 	C26H47N7O11S	665.3054	NA	PeJP	NA	NA
+PJ014055	ASTKEM 	C26H47N7O11S	665.3055	NA	PeJP	NA	NA
+PJ014056	GPPCHR 	C27H43N11O7S	665.3068	NA	PeJP	NA	NA
+PJ014057	TCMRR 	C24H47N11O7S2	665.3102	NA	PeJP	NA	NA
+PJ014058	AQERY 	C28H43N9O10	665.3133	NA	PeJP	NA	NA
+PJ014059	VHHHH 	C29H39N13O6	665.3147	NA	PeJP	NA	NA
+PJ014060	GTTTMR 	C25H47N9O10S	665.3167	NA	PeJP	NA	NA
+PJ014061	GLQYW 	C33H43N7O8	665.3173	NA	PeJP	NA	NA
+MJ089426	Dianthin A 	C33H43N7O8	665.317311	NA	MeJP	NA	NA
+PJ014062	GGAAPFF 	C33H43N7O8	665.3174	NA	PeJP	NA	NA
+PJ014063	TTKMW 	C30H47N7O8S	665.3207	NA	PeJP	NA	NA
+PJ014064	STTTKE 	C26H47N7O13	665.3232	NA	PeJP	NA	NA
+PJ014065	KKEMM 	C27H51N7O8S2	665.3241	NA	PeJP	NA	NA
+PJ014066	GDRRY 	C27H43N11O9	665.3245	NA	PeJP	NA	NA
+PJ014067	GAPEHR 	C27H43N11O9	665.3246	NA	PeJP	NA	NA
+PJ014068	LLEEY 	C31H47N5O11	665.3272	NA	PeJP	NA	NA
+PJ014069	AARYW 	C32H43N9O7	665.3286	NA	PeJP	NA	NA
+PJ014070	PCKRY 	C29H47N9O7S	665.3319	NA	PeJP	NA	NA
+PJ014071	GGVMFR 	C29H47N9O7S	665.332	NA	PeJP	NA	NA
+PJ014072	KFWW 	C37H43N7O5	665.3326	NA	PeJP	NA	NA
+PJ014073	STTTTR 	C25H47N9O12	665.3344	NA	PeJP	NA	NA
+PJ014074	TKMMR 	C26H51N9O7S2	665.3353	NA	PeJP	NA	NA
+PJ014075	VQKEY 	C30H47N7O10	665.3385	NA	PeJP	NA	NA
+PJ014076	APHRW 	C31H43N11O6	665.3398	NA	PeJP	NA	NA
+PJ014077	SSTLKM 	C27H51N7O10S	665.3418	NA	PeJP	NA	NA
+PJ014078	GMFRR 	C28H47N11O6S	665.3432	NA	PeJP	NA	NA
+PJ014079	AKERY 	C29H47N9O9	665.3497	NA	PeJP	NA	NA
+PJ014080	GLKYW 	C34H47N7O7	665.3537	NA	PeJP	NA	NA
+MJ089427	Milbemycin D; 26-O-(2-Pyrrolylcarbonyloxy) 	C38H51NO9	665.356382	NA	MeJP	NA	NA
+PJ014081	PKKMY 	C31H51N7O7S	665.3571	NA	PeJP	NA	NA
+C09998	Amphibine B	C39H47N5O5	665.3577	NA	KEGG	NA	NA
+MJ089428	Amphibine B 	C39H47N5O5	665.357719	NA	MeJP	NA	NA
+MJ089429	Scutianine A 	C39H47N5O5	665.357719	NA	MeJP	NA	NA
+PJ014082	ATRRY 	C28H47N11O8	665.3609	NA	PeJP	NA	NA
+PJ014083	PVKHW 	C33H47N9O6	665.365	NA	PeJP	NA	NA
+PJ014084	CLKFR 	C30H51N9O6S	665.3683	NA	PeJP	NA	NA
+PJ014085	PTHRR 	C27H47N13O7	665.3722	NA	PeJP	NA	NA
+PJ014086	VKKEY 	C31H51N7O9	665.3748	NA	PeJP	NA	NA
+PJ014087	GSVLKY 	C31H51N7O9	665.3749	NA	PeJP	NA	NA
+PJ014088	SLKRY 	C30H51N9O8	665.3861	NA	PeJP	NA	NA
+PJ014089	PKKFF 	C35H51N7O6	665.3901	NA	PeJP	NA	NA
+C13898	1-Palmitoyl-2-(5-hydroxy-8-oxo-6-octenedioyl)-sn-glycero-3-	C32H60NO11P	665.3904	NA	KEGG	NA	NA
+C13899	Transferred to D02156	C32H60NO11P	665.3904	NA	KEGG	NA	NA
+PJ014090	LKKMF 	C32H55N7O6S	665.3935	NA	PeJP	NA	NA
+PJ014091	LLQHR 	C29H51N11O7	665.3973	NA	PeJP	NA	NA
+2656	synthetic fr, of human beta-CN (161-166) ACE inhibitor	VLPIPQ	665.398	NA	Inhouse_peptide	NA	peptide
+PJ014092	VVHRR 	C28H51N13O6	665.4086	NA	PeJP	NA	NA
+PJ014093	PPVLLQ 	C32H55N7O8	665.4112	NA	PeJP	NA	NA
+PJ014094	AAPPVVL 	C32H55N7O8	665.4113	NA	PeJP	NA	NA
+PJ014095	APPLLR 	C31H55N9O7	665.4225	NA	PeJP	NA	NA
+PJ014096	LLKHR 	C30H55N11O6	665.4337	NA	PeJP	NA	NA
+PJ014097	PPVLLK 	C33H59N7O7	665.4476	NA	PeJP	NA	NA
+MJ089430	Cholest-5-ene-3,15,26-triol, 15-O-[2-(Acetylamino)-2-deoxy-?-D-glucopyranosyl], 26-Ac, 5?,6-dihydro 	C37H63NO9	665.450282	NA	MeJP	NA	NA
+EUR808	Lyso PC 24:1 [M-H+acetate]-	C32H64NO7P	665.463142	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR808	Lyso PC 24:1 [M-H+acetate]-	C32H64NO7P	665.463142	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR808	Lyso PC 24:1 [M-H+acetate]-	C32H64NO7P	665.463142	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR808	Lyso PC 24:1 [M-H+acetate]-	C32H64NO7P	665.463142	masses lipides attendues	Inhousejuil11	NA	NA
+MJ089431	Ergocerebrin 	C42H83NO4	665.63221	NA	MeJP	NA	NA
+HMDB11770	Cer(d18:0/25:0)	C43H87NO3	665.668579	NA	HMDB2010	NA	NA
+C11340	Antimony potassium tartrate	C8H4O12Sb2	665.737	NA	KEGG	NA	NA
+MJ089432	Russuphelol 	C26H16Cl6O8	665.897633	NA	MeJP	NA	NA
+MJ089433	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-(Di-O-sulfo-?-D-glucuronopyranoside) 	C23H22O19S2	666.019669	NA	MeJP	NA	NA
+MJ089434	Carpinin D; 3-O-(3,4,5-Trihydroxybenzoyl) 	C27H22O20	666.070443	NA	MeJP	NA	NA
+MJ089435	Astragalin; 3''-O-?-Apiofuranosyl, 6''-O-malonyl 	C29H30O18	666.143214	NA	MeJP	NA	NA
+MJ089436	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C29H31O18(+)	666.143214	NA	MeJP	NA	NA
+PJ014098	SCCCDH 	C22H34N8O10S3	666.156	NA	PeJP	NA	NA
+MJ089437	Garashangin; 2-O-(3,4-Dihydroxy-E-cinnamonyl) 	C33H30O15	666.15847	NA	MeJP	NA	NA
+MJ089438	?-Naphthocyclinone 	C33H30O15	666.15847	NA	MeJP	NA	NA
+PJ014099	PCCDDD 	C23H34N6O13S2	666.1626	NA	PeJP	NA	NA
+PJ014100	ACCCMH 	C23H38N8O7S4	666.1747	NA	PeJP	NA	NA
+FL2FAAGS0021	Naringin 6''-malonate	C30H34O17	666.17959	139934-59-1	knapsack	NA	NA
+FL3FAACS0040	3,6,8-Tri-C-xylosylapigenin	C30H34O17	666.17959	150697-53-3	knapsack	NA	NA
+FL3FECGS0050	6-Hydroxyluteolin 4'-methyl eter 7-rhamnosyl-(1->2)-(6''-acetylglucoside);7-[[6-O-Acetyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C30H34O17	666.17959	651317-75-8	knapsack	NA	NA
+FL3FFAGS0008	Isoscutellarein 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)-glucoside	C30H34O17	666.17959	-	knapsack	NA	NA
+FL3FGCGS0007	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-(3-hydroxy-3-methylglutarate)-4'-glucoside	C30H34O17	666.17959	101899-84-7	knapsack	NA	NA
+FL3FGCGS0008	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]	C30H34O17	666.17959	101339-35-9	knapsack	NA	NA
+FL3FGCGS0009	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 4'-[6''-(3-hydroxy-3-methylglutaryl)glucoside]	C30H34O17	666.17959	98891-96-4	knapsack	NA	NA
+FL5FADGS0031	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside);Quercetin 3'-methyl ether 3-rhamnosyl-(1->6)-(2''-acetylglucoside);3-[[2-O-Acetyl-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C30H34O17	666.17959	455253-62-0	knapsack	NA	NA
+FL5FECGS0041	Patuletin 3-(4''-acetylrhamnoside)-7-rhamnoside	C30H34O17	666.17959	160473-01-8	knapsack	NA	NA
+FL5FECGS0042	Patuletin 3-rhamnoside-7-(2'''-acetylrhamnoside);Kalambroside B;7-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one	C30H34O17	666.17959	160473-00-7	knapsack	NA	NA
+FL5FECGS0043	Patuletin 3-rhamnoside-7-(3'''-acetylrhamnoside)	C30H34O17	666.17959	125140-14-9	knapsack	NA	NA
+FL5FECGS0044	Patuletin 3-rhamnoside-7-(4'''-acetylrhamnoside)	C30H34O17	666.17959	125140-15-0	knapsack	NA	NA
+FLIAFCGS0003	Platycarpanetin 7-O-laminaribioside	C30H34O17	666.17959	-	knapsack	NA	NA
+MJ089439	3',4',5,7,8-Pentahydroxyisoflavone; 3',4'-Methylene, 5,8-di-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089440	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-?-L-rhamnopyranoside 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089441	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(2-O-acetyl-?-L-rhamnopyranoside) 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089442	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(3-O-acetyl-?-L-rhamnopyranoside) 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089443	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(4-O-acetyl-?-L-rhamnopyranoside) 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089444	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-?-D-Glucopyranoside, 7-O-(4-carboxy-3-hydroxy-3-methylbutanoyl) 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089445	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 4'-O-[6-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl)-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089446	4',5,7-Trihydroxy-3',6,8-trimethoxyflavone; 6-O-[6-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl)-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089447	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089448	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089449	4',5,7-Trihydroxy-3,6,8-trixylosylflavone 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089450	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089451	5,7,8-Trihydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34O17	666.179599	NA	MeJP	NA	NA
+MJ089452	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C30H35O17(+)	666.179599	NA	MeJP	NA	NA
+PJ014101	GDDDDM 	C23H34N6O15S	666.1803	NA	PeJP	NA	NA
+PJ014102	SCNNDD 	C22H34N8O14S	666.1915	NA	PeJP	NA	NA
+PJ014103	GGSCNDD 	C22H34N8O14S	666.1916	NA	PeJP	NA	NA
+PJ014104	SSCCMH 	C23H38N8O9S3	666.1924	NA	PeJP	NA	NA
+MJ089453	Eumitrin A1; 8'-Deoxy, 8',8'a?-dihydro 	C34H34O14	666.194855	NA	MeJP	NA	NA
+PJ014105	CDDEW 	C27H34N6O12S	666.1956	NA	PeJP	NA	NA
+PJ014106	SSDDDE 	C23H34N6O17	666.1981	NA	PeJP	NA	NA
+PJ014107	SPCDDM 	C24H38N6O12S2	666.1989	NA	PeJP	NA	NA
+MJ089454	?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucose; ?-Pyranose-form, 1-O-(3,4-Dihydroxycinnamoyl) 	C27H38O19	666.200729	NA	MeJP	NA	NA
+PJ014108	GCNNEM 	C23H38N8O11S2	666.2102	NA	PeJP	NA	NA
+FL5FDFGL0001	Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside	C31H38O16	666.21598	58528-03-3	knapsack	NA	NA
+MJ089455	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-2-O-acetyl-?-D-glucopyranoside] 	C31H38O16	666.215985	NA	MeJP	NA	NA
+MJ089456	Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 4-O-benzoyl 	C31H38O16	666.215985	NA	MeJP	NA	NA
+MJ089457	Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-benzoyl 	C31H38O16	666.215985	NA	MeJP	NA	NA
+MJ089458	Tubuloside B 	C31H38O16	666.215985	NA	MeJP	NA	NA
+PJ014109	GSDEEM 	C24H38N6O14S	666.2167	NA	PeJP	NA	NA
+PJ014110	GPCEMM 	C25H42N6O9S3	666.2176	NA	PeJP	NA	NA
+PJ014111	GCCNDR 	C22H38N10O10S2	666.2214	NA	PeJP	NA	NA
+MJ089459	Cellotetraose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089460	Stachyose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089461	?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-glucose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089462	?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-D-glucose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089463	Bemisiotetrose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089464	Bifurcose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089465	Gentiotetraose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089466	Maltotetraose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089467	Neobifurcose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089468	Nystose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089469	Sesamose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089470	Stachyose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089471	Verbascotetraose 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MJ089472	chiro-Inositol, 2-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C24H42O21	666.221858	NA	MeJP	NA	NA
+MetaCyc04026	1,3-&alpha;-D-mannosyl-1,2-&alpha;-D-mannosyl-1,2-&alpha;-D-mannosyl-D-mannose []	C24H42O21	666.221858	NA	metacyc	NA	NA
+MetaCyc04027	stachyose []	C24H42O21	666.221858	10094-58-3	metacyc	NA	NA
+MetaCyc04028	1F-&alpha;-D-Galactosylraffinose []	C24H42O21	666.221858	NA	metacyc	NA	NA
+MetaCyc04029	1,1-kestotetraose [nystose;]	C24H42O21	666.221858	NA	metacyc	NA	NA
+MetaCyc04030	6G,6-kestotetraose [kestotetraose;]	C24H42O21	666.221858	NA	metacyc	NA	NA
+MetaCyc04031	1,6-kestotetraose [bifurcose;]	C24H42O21	666.221858	NA	metacyc	NA	NA
+MetaCyc04032	maltotetraose []	C24H42O21	666.221858	34612-38-9	metacyc	NA	NA
+HMDB00757	Glycogen	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB00757	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01296	Maltotetraose	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB01296	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00757	Glycogen	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB00757	HMDB	NA	NA
+HMDB01296	Maltotetraose	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB01296	HMDB	NA	NA
+HMDB03553	Stachyose	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB03553	HMDB	NA	NA
+HMDB00757	Glycogen	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB00757	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01296	Maltotetraose	C24H42O21	666.22186	http://www.hmdb.ca/metabolites/HMDB01296	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00757	Glycogen	C24H42O21	666.22186	HMDB00757	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01296	Maltotetraose	C24H42O21	666.22186	HMDB01296	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03553	Stachyose	C24H42O21	666.22186	HMDB03553	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00757	Glycogen	C24H42O21	666.221863	NA	HMDB2010	NA	NA
+HMDB01296	Maltotetraose	C24H42O21	666.221863	NA	HMDB2010	NA	NA
+HMDB03553	Stachyose	C24H42O21	666.221863	NA	HMDB2010	NA	NA
+C00182	Glycogen	C24H42O21	666.2219	NA	KEGG	NA	NA
+C01613	Stachyose	C24H42O21	666.2219	NA	KEGG	NA	NA
+C01614	Sulfamate	NH2SO3R	666.2219	NA	KEGG	NA	NA
+C01615	Sulfinate	HSO2R	666.2219	NA	KEGG	NA	NA
+C02013	Cellotetraose	C24H42O21	666.2219	NA	KEGG	NA	NA
+C02014	Choline ester	C6H13NO2R	666.2219	NA	KEGG	NA	NA
+C02052	Maltotetraose	C24H42O21	666.2219	NA	KEGG	NA	NA
+C02053	Man5(GlcNAc)3	C24H42O21	666.2219	NA	KEGG	NA	NA
+C02054	Man9(GlcNAc)2	C24H42O21	666.2219	NA	KEGG	NA	NA
+C02055	N-Acylglycine	C3H4NO3R	666.2219	NA	KEGG	NA	NA
+C02056	Peptidyl-tRNA	C14H21N2O12PR4	666.2219	NA	KEGG	NA	NA
+C03989	Isolychnose	C24H42O21	666.2219	NA	KEGG	NA	NA
+C04861	1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-	C24H42O21	666.2219	NA	KEGG	NA	NA
+C08242	Lychnose	C24H42O21	666.2219	NA	KEGG	NA	NA
+C08248	alpha-D-Galactosyl-(1-6)-alpha-D-galactosyl-(1-6)-beta-D-fructosyl-	C24H42O21	666.2219	NA	KEGG	NA	NA
+PJ014112	CNNMW 	C27H38N8O8S2	666.2254	NA	PeJP	NA	NA
+PJ014113	SSNNDM 	C23H38N8O13S	666.2279	NA	PeJP	NA	NA
+PJ014114	PCCCNK 	C24H42N8O8S3	666.2288	NA	PeJP	NA	NA
+MJ089473	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1,9-dibenzoyl, 2,6,14-tri-Ac 	C35H38O13	666.231241	NA	MeJP	NA	NA
+PJ014115	SDEMW 	C28H38N6O11S	666.2319	NA	PeJP	NA	NA
+PJ014116	TDDMW 	C28H38N6O11S	666.232	NA	PeJP	NA	NA
+PJ014117	PCMMW 	C29H42N6O6S3	666.2328	NA	PeJP	NA	NA
+PJ014118	SSSEEE 	C24H38N6O16	666.2344	NA	PeJP	NA	NA
+PJ014119	STTDDE 	C24H38N6O16	666.2345	NA	PeJP	NA	NA
+PJ014120	QEEMM 	C25H42N6O11S2	666.2353	NA	PeJP	NA	NA
+PJ014121	GSDDHH 	C25H34N10O12	666.2358	NA	PeJP	NA	NA
+PJ014122	APCCHH 	C26H38N10O7S2	666.2367	NA	PeJP	NA	NA
+PJ014123	GSSCQW 	C27H38N8O10S	666.2432	NA	PeJP	NA	NA
+PJ014124	GSSSSNE 	C23H38N8O15	666.2457	NA	PeJP	NA	NA
+PJ014125	DDMMR 	C24H42N8O10S2	666.2466	NA	PeJP	NA	NA
+PJ014126	PCDFW 	C32H38N6O8S	666.2472	NA	PeJP	NA	NA
+PJ014127	GSPDEY 	C28H38N6O13	666.2497	NA	PeJP	NA	NA
+PJ014128	AEMMW 	C29H42N6O8S2	666.2506	NA	PeJP	NA	NA
+MJ089474	Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(E-), 10-Ac 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089475	Deacylsuspensolide; 1-O-(2-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(Z-), 10-Ac 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089476	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(E)-, 10-Ac 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089477	Deacylsuspensolide; 1-O-(3-Methylbutanoyl), 2'-(4-hydroxycinnamoyl)(Z)-, 10-Ac 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089478	Homoegonol; O-?-Gentiobioside 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089479	Phillygenin, 4'-O-[?-D-Xylopyranosyl(1?6)-?-D-glucopyranoside] 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089480	Pinoresinol, 4-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H42O15	666.25237	NA	MeJP	NA	NA
+MJ089481	Pinoresinol, 7'-Epimer, 4-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H42O15	666.25237	NA	MeJP	NA	NA
+FL6DBAGI0002	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 4-O-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside)	C32H42O15	666.25237	118555-87-6	knapsack	NA	NA
+PJ014129	GTTEEM 	C25H42N6O13S	666.2531	NA	PeJP	NA	NA
+PJ014130	ASPMMM 	C26H46N6O8S3	666.2539	NA	PeJP	NA	NA
+PJ014131	GPTMMM 	C26H46N6O8S3	666.254	NA	PeJP	NA	NA
+PJ014132	NEMHH 	C26H38N10O9S	666.2544	NA	PeJP	NA	NA
+MJ089482	Dihydrothalictrinine 	C38H38N2O9	666.25773	NA	MeJP	NA	NA
+MJ089483	Oxothalibrunimine 	C38H38N2O9	666.25773	NA	MeJP	NA	NA
+PJ014133	GSCNMR 	C23H42N10O9S2	666.2578	NA	PeJP	NA	NA
+PJ014134	CNHFF 	C31H38N8O7S	666.2584	NA	PeJP	NA	NA
+PJ014135	GGCHFF 	C31H38N8O7S	666.2585	NA	PeJP	NA	NA
+PJ014136	SSSSNW 	C27H38N8O12	666.2609	NA	PeJP	NA	NA
+PJ014137	GGGGQEY 	C27H38N8O12	666.261	NA	PeJP	NA	NA
+PJ014138	CCQKW 	C28H42N8O7S2	666.2618	NA	PeJP	NA	NA
+PJ014139	SSSQQM 	C24H42N8O12S	666.2643	NA	PeJP	NA	NA
+PJ014140	SPDYW 	C32H38N6O10	666.265	NA	PeJP	NA	NA
+PJ014141	CDHHR 	C25H38N12O8S	666.2657	NA	PeJP	NA	NA
+MJ089484	5-Hydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12-oic acid, Lactone, 14-[4-O-(hypocretenoyl)-?-D-glucopyranosyloxy] 	C36H42O12	666.267626	NA	MeJP	NA	NA
+PJ014142	TTEMW 	C29H42N6O10S	666.2683	NA	PeJP	NA	NA
+MJ089485	Haplocidiphytine 	C37H38N4O8	666.268964	NA	MeJP	NA	NA
+PJ014143	GMHHW 	C30H38N10O6S	666.2697	NA	PeJP	NA	NA
+PJ014144	STTTEE 	C25H42N6O15	666.2708	NA	PeJP	NA	NA
+PJ014145	KEEMM 	C26H46N6O10S2	666.2717	NA	PeJP	NA	NA
+PJ014146	GSTEHH 	C26H38N10O11	666.2722	NA	PeJP	NA	NA
+PJ014147	SSSCQR 	C23H42N10O11S	666.2755	NA	PeJP	NA	NA
+PJ014148	GNQYW 	C31H38N8O9	666.2762	NA	PeJP	NA	NA
+MJ089486	Syrosingopine 	C35H42N2O11	666.27886	NA	MeJP	NA	NA
+PJ014149	GSSCKW 	C28H42N8O9S	666.2796	NA	PeJP	NA	NA
+PJ014150	EFWW 	C36H38N6O7	666.2802	NA	PeJP	NA	NA
+PJ014151	GSSSSDK 	C24H42N8O14	666.2821	NA	PeJP	NA	NA
+PJ014152	TEMMR 	C25H46N8O9S2	666.2829	NA	PeJP	NA	NA
+PJ014153	GGGSKMM 	C25H46N8O9S2	666.283	NA	PeJP	NA	NA
+PJ014154	APMYW 	C33H42N6O7S	666.2836	NA	PeJP	NA	NA
+PJ014155	VQEEY 	C29H42N6O12	666.2861	NA	PeJP	NA	NA
+PJ014156	SLMMW 	C30H46N6O7S2	666.287	NA	PeJP	NA	NA
+PJ014157	STHHW 	C30H38N10O8	666.2874	NA	PeJP	NA	NA
+PJ014158	GGGGPHW 	C30H38N10O8	666.2875	NA	PeJP	NA	NA
+MJ089487	4,18:11,16:15,16-Triepoxy-14-clerodene-2,3,6,19-tetrol, 3-(2,3-Diacetoxy-2-methylbutanoyl), 6,19-di-Ac 	C33H46O14	666.288756	NA	MeJP	NA	NA
+PJ014159	SSTLEM 	C26H46N6O12S	666.2895	NA	PeJP	NA	NA
+PJ014160	AALMMM 	C27H50N6O7S3	666.2903	NA	PeJP	NA	NA
+PJ014161	CNQFR 	C27H42N10O8S	666.2908	NA	PeJP	NA	NA
+PJ014162	GSSSSSR 	C23H42N10O13	666.2933	NA	PeJP	NA	NA
+MJ089488	Fauripavine 	C39H42N2O8	666.294116	NA	MeJP	NA	NA
+MJ089489	Pennsylpavoline 	C39H42N2O8	666.294116	NA	MeJP	NA	NA
+MJ089490	Thalfinine 	C39H42N2O8	666.294116	NA	MeJP	NA	NA
+MJ089491	Thalibrunimine; Me ether 	C39H42N2O8	666.294116	NA	MeJP	NA	NA
+MJ089492	Thalpindione; Me ether 	C39H42N2O8	666.294116	NA	MeJP	NA	NA
+PJ014163	GTCCKR 	C24H46N10O8S2	666.2942	NA	PeJP	NA	NA
+PJ014164	PPMHW 	C32H42N8O6S	666.2948	NA	PeJP	NA	NA
+PJ014165	AEERY 	C28H42N8O11	666.2973	NA	PeJP	NA	NA
+PJ014166	GGGGPPPE 	C28H42N8O11	666.2974	NA	PeJP	NA	NA
+MJ089493	2,2',3,3'-Tetrahydro-3,3',6,6',7,7'-hexamethoxy-4,4'-diphenyl-5,5'-bi-1H-phenalene 	C44H42O6	666.298139	NA	MeJP	NA	NA
+PJ014167	CCKKW 	C29H46N8O6S2	666.2982	NA	PeJP	NA	NA
+PJ014168	SSSQKM 	C25H46N8O11S	666.3007	NA	PeJP	NA	NA
+PJ014169	PTTYW 	C33H42N6O9	666.3013	NA	PeJP	NA	NA
+PJ014170	GLEYW 	C33H42N6O9	666.3014	NA	PeJP	NA	NA
+PJ014171	VMMMR 	C26H50N8O6S3	666.3016	NA	PeJP	NA	NA
+PJ014172	SMHHR 	C26H42N12O7S	666.302	NA	PeJP	NA	NA
+MJ089494	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5-Cinnamoyl, 7,9,10,13-tetra-Ac 	C37H46O11	666.304012	NA	MeJP	NA	NA
+MJ089495	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-Cinnamoyl, 7,9,10,13-tetra-Ac 	C37H46O11	666.304012	NA	MeJP	NA	NA
+PJ014173	PKEMY 	C30H46N6O9S	666.3047	NA	PeJP	NA	NA
+PJ014174	ATTLMM 	C27H50N6O9S2	666.3081	NA	PeJP	NA	NA
+PJ014175	SNQRY 	C27H42N10O10	666.3086	NA	PeJP	NA	NA
+PJ014176	SSSCKR 	C24H46N10O10S	666.3119	NA	PeJP	NA	NA
+PJ014177	GNKYW 	C32H42N8O8	666.3126	NA	PeJP	NA	NA
+C08662	Barbinine	C36H46N2O10	666.3152	NA	KEGG	NA	NA
+MJ089496	Nudicauline; O14-De-Ac, O14-ketone 	C36H46N2O10	666.315245	NA	MeJP	NA	NA
+PJ014178	PTMRY 	C29H46N8O8S	666.3159	NA	PeJP	NA	NA
+PJ014179	VDMFR 	C29H46N8O8S	666.316	NA	PeJP	NA	NA
+PJ014180	LYWW 	C37H42N6O6	666.3166	NA	PeJP	NA	NA
+PJ014181	ASSSSTK 	C25H46N8O13	666.3184	NA	PeJP	NA	NA
+PJ014182	GSSSTTK 	C25H46N8O13	666.3185	NA	PeJP	NA	NA
+PJ014183	GTCKKM 	C26H50N8O8S2	666.3193	NA	PeJP	NA	NA
+PJ014184	GSPNHR 	C26H42N12O9	666.3198	NA	PeJP	NA	NA
+PJ014185	ALMFW 	C34H46N6O6S	666.32	NA	PeJP	NA	NA
+MJ089497	Strychnogucine B 	C42H42N4O4	666.320605	NA	MeJP	NA	NA
+PJ014186	VKEEY 	C30H46N6O11	666.3225	NA	PeJP	NA	NA
+PJ014187	VQHHF 	C31H42N10O7	666.3238	NA	PeJP	NA	NA
+MJ089498	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C34H50O13	666.325141	NA	MeJP	NA	NA
+MJ089499	4,18:11,16:15,16-Triepoxy-14-clerodene-2,6,19-triol, 19-[3S-[3S-(3S-Hydroxybutanoyloxy)butanoyloxy]butanoyl], 6-Ac 	C34H50O13	666.325141	NA	MeJP	NA	NA
+MJ089500	Amalogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-diginopyranoside] 	C34H50O13	666.325141	NA	MeJP	NA	NA
+PJ014188	TTTTLM 	C27H50N6O11S	666.3258	NA	PeJP	NA	NA
+PJ014189	CNKFR 	C28H46N10O7S	666.3272	NA	PeJP	NA	NA
+MJ089501	Herveline C 	C40H46N2O7	666.330501	NA	MeJP	NA	NA
+MJ089502	Thalifaberine; 3-Demethoxy 	C40H46N2O7	666.330501	NA	MeJP	NA	NA
+PJ014190	SLERY 	C29H46N8O10	666.3337	NA	PeJP	NA	NA
+PJ014191	AHHFR 	C30H42N12O6	666.3351	NA	PeJP	NA	NA
+PJ014192	SSSKKM 	C26H50N8O10S	666.3371	NA	PeJP	NA	NA
+PJ014193	SVLYW 	C34H46N6O8	666.3377	NA	PeJP	NA	NA
+PJ014194	LLQMY 	C31H50N6O8S	666.3411	NA	PeJP	NA	NA
+PJ014195	SNKRY 	C28H46N10O9	666.3449	NA	PeJP	NA	NA
+PJ014196	GGSKRY 	C28H46N10O9	666.345	NA	PeJP	NA	NA
+PJ014197	PTFFR 	C33H46N8O7	666.349	NA	PeJP	NA	NA
+PJ014198	VVMRY 	C30H50N8O7S	666.3523	NA	PeJP	NA	NA
+PJ014199	GGKKMF 	C30H50N8O7S	666.3524	NA	PeJP	NA	NA
+PJ014200	VQQHR 	C27H46N12O8	666.3562	NA	PeJP	NA	NA
+PJ014201	GTTLLY 	C31H50N6O10	666.3589	NA	PeJP	NA	NA
+PJ014202	VKHHF 	C32H46N10O6	666.3602	NA	PeJP	NA	NA
+MJ089503	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-arabino-hexopyranoside] 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089504	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089505	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-xylo-hexopyranoside] 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089506	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-arabino-hexopyranoside] 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089507	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089508	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089509	Cayaponoside D3b 	C35H54O12	666.361527	NA	MeJP	NA	NA
+MJ089510	Fevicordin F; 23,24-Dihydro, 2-O-?-D-glucopyranoside 	C35H54O12	666.361527	NA	MeJP	NA	NA
+PJ014203	AQHRR 	C26H46N14O7	666.3674	NA	PeJP	NA	NA
+PJ014204	TQKKY 	C30H50N8O9	666.3701	NA	PeJP	NA	NA
+PJ014205	PLKFY 	C35H50N6O7	666.3741	NA	PeJP	NA	NA
+PJ014206	LLKMY 	C32H54N6O7S	666.3775	NA	PeJP	NA	NA
+PJ014207	LLEHR 	C29H50N10O8	666.3813	NA	PeJP	NA	NA
+MJ089511	Lavendomycin 	C29H50N10O8	666.381308	NA	MeJP	NA	NA
+PJ014208	GGGVLKH 	C29H50N10O8	666.3814	NA	PeJP	NA	NA
+PJ014209	VLLHW 	C34H50N8O6	666.3854	NA	PeJP	NA	NA
+PJ014210	AAPPRR 	C28H50N12O7	666.3926	NA	PeJP	NA	NA
+PJ014211	PPVLLE 	C32H54N6O9	666.3953	NA	PeJP	NA	NA
+MJ089512	1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089513	1,3,22-Trihydroxy-24-oxocycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089514	12-Oleanene-3,16,21,23,28-pentol, 3-O-?-D-Glucuronopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089515	12-Oleanene-3,16,22,23,28-pentol, 3-O-?-D-Glucuronopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089516	2,3,16,20,26-Pentahydroxycucurbita-5,24-dien-11-one, 2-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089517	2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089518	2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid, 28-?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089519	2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Galactopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089520	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089521	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089522	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089523	2,3,19,24-Tetrahydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089524	2,3,19,24-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089525	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 21-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089526	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089527	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089528	2,3,23,24-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089529	2,3,23,29-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089530	2,3,6,16-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089531	2,3,6,19-Tetrahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089532	2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089533	2,3,6,23-Tetrahydroxy-20(29)-lupen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089534	2,3,7,19-Tetrahydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089535	2,3,7,23-Tetrahydroxy-12-oleanen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089536	20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 26-Deoxy, 2-O-?-D-glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089537	28-Nor-12-oleanene-2,3,16,17,23-pentol, 17-Formyl, 3-O-?-D-glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089538	3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one, 3-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089539	3,23,27,29-Tetrahydroxy-12-oleanen-28-oic acid, 29-O-?-D-Glucopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089540	6(17),11-Jatrophadiene-3,5,7,8,9,14,15-heptol, 5,8-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl), 14-Ac 	C36H58O11	666.397912	NA	MeJP	NA	NA
+MJ089541	Cimigenol; 1?-Hydroxy, 3-O-?-D-galactopyranoside 	C36H58O11	666.397912	NA	MeJP	NA	NA
+PJ014212	AKHRR 	C27H50N14O6	666.4038	NA	PeJP	NA	NA
+PJ014213	TKKKY 	C31H54N8O8	666.4065	NA	PeJP	NA	NA
+PJ014214	LLKFF 	C36H54N6O6	666.4105	NA	PeJP	NA	NA
+PJ014215	GPPLKR 	C30H54N10O7	666.4177	NA	PeJP	NA	NA
+PJ014216	VKKHR 	C29H54N12O6	666.429	NA	PeJP	NA	NA
+MJ089542	2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, 1-Sulfate 	C41H62O5S	666.431795	NA	MeJP	NA	NA
+MJ089543	2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, 4-Sulfate 	C41H62O5S	666.431795	NA	MeJP	NA	NA
+MJ089544	Cycloartane-3,6,16,24,25-pentol, 6-Ac, 3-O-?-D-xylopyranoside 	C37H62O10	666.434298	NA	MeJP	NA	NA
+PJ014217	PPVVKK 	C32H58N8O7	666.4429	NA	PeJP	NA	NA
+MJ089545	3,21,22-Trihydroxy-12-oleanen-28-oic acid, 21-(6-Methyl-2E,4E-octadienoyl), 22-Ac 	C41H62O7	666.449554	NA	MeJP	NA	NA
+MJ089546	3,21,22-Trihydroxy-12-oleanen-28-oic acid, 21-(6-Methyl-2Z,4E-octadienoyl), 22-Ac 	C41H62O7	666.449554	NA	MeJP	NA	NA
+MJ089547	Sporidesmolides; Sporidesmolide V 	C35H62N4O8	666.456764	NA	MeJP	NA	NA
+MJ089548	Norbixin, 6-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-6'-Me ester 	C45H62O4	666.46481	NA	MeJP	NA	NA
+MJ089549	Norbixin, 6-(3,7,11,5-Tetramethyl-2,6,10,14-hexadecatetraenyl)-6'-Me ester 	C45H62O4	666.46481	NA	MeJP	NA	NA
+PJ014218	PVLLLL 	C34H62N6O7	666.468	NA	PeJP	NA	NA
+MJ089550	Staphisagnine 	C44H62N2O3	666.476043	NA	MeJP	NA	NA
+MJ089551	Petroformyne 1; 3- or 44-Ketone 	C46H66O3	666.501195	NA	MeJP	NA	NA
+MJ089552	Petroformyne 1; 8,9,14,15-Tetradehydro(Z,Z-), 12,13-dihydro 	C46H66O3	666.501195	NA	MeJP	NA	NA
+MJ089553	Disepalin 	C39H70O8	666.507069	NA	MeJP	NA	NA
+MJ089554	Tonkinesin A; 15,21,22-Triepimer, 17-Ac 	C39H70O8	666.507069	NA	MeJP	NA	NA
+MJ089555	Tonkinesin A; 17-Ac 	C39H70O8	666.507069	NA	MeJP	NA	NA
+MJ089556	Uvaribonin 	C39H70O8	666.507069	NA	MeJP	NA	NA
+MJ089557	Xylopiacin; 8-Deoxy, 10R-hydroxy, 4-Ac 	C39H70O8	666.507069	NA	MeJP	NA	NA
+HMDB07208	DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07237	DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07264	DG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07265	DG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07292	DG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07321	DG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07433	DG(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07460	DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07461	DG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07489	DG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07490	DG(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07516	DG(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07517	DG(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07545	DG(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07546	DG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07573	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07684	DG(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07685	DG(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07712	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07741	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07768	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+HMDB07769	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)	C43H70O5	666.522339	NA	HMDB2010	NA	NA
+MJ089558	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-didodecanoate 3-tetradecanoate 	C41H78O6	666.57984	NA	MeJP	NA	NA
+MJ089559	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dioctadecanoate 3-acetate 	C41H78O6	666.57984	NA	MeJP	NA	NA
+MJ089560	Stigmast-5-ene-3,7-diol, 7-Ketone, 3-hexadecanoyl 	C45H78O3	666.595096	NA	MeJP	NA	NA
+HMDB07093	DG(15:0/24:0/0:0)	C42H82O5	666.616211	NA	HMDB2010	NA	NA
+HMDB07793	DG(24:0/15:0/0:0)	C42H82O5	666.616211	NA	HMDB2010	NA	NA
+HMDB06738	Cholesteryl nonadecanoic acid	C46H82O2	666.63147	http://www.hmdb.ca/metabolites/HMDB06738	HMDB	NA	NA
+HMDB06738	Cholesteryl nonadecanoic acid	C46H82O2	666.63147	HMDB06738	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06738	CE(19:0)	C46H82O2	666.63147	NA	HMDB2010	NA	NA
+MJ089561	3-Friedelanol, Hexadecanoyl 	C46H82O2	666.631481	NA	MeJP	NA	NA
+MJ089562	Ergost-5-en-3-ol, Octadecanoyl 	C46H82O2	666.631481	NA	MeJP	NA	NA
+MJ089563	Avridine 	C43H90N2O2	666.70023	NA	MeJP	NA	NA
+MJ089564	4-Chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxamide 	C29H27ClIN7O2	667.095944	NA	MeJP	NA	NA
+C08112	Cefoperazone sodium	C25H26N9O8S2	667.1243	NA	KEGG	NA	NA
+FL7AACGL0083	Cyanidin 3-(6''-malonylsambubioside)	C29H31O18	667.15103	178275-90-6	knapsack	NA	NA
+PJ014219	SCNDDD 	C22H33N7O15S	667.1756	NA	PeJP	NA	NA
+PJ014220	PCCCNE 	C23H37N7O10S3	667.1764	NA	PeJP	NA	NA
+FL7AADGL0017	Peonidin acetyl 3,5-diglucoside	C30H35O17	667.18742	-	knapsack	NA	NA
+FL7AADGL0029	Peonidin 3-glucoside-5-(6''-acetylglucoside)	C30H35O17	667.18742	-	knapsack	NA	NA
+PJ014221	GPCCCW 	C27H37N7O7S3	667.1917	NA	PeJP	NA	NA
+PJ014222	GCNDEM 	C23H37N7O12S2	667.1942	NA	PeJP	NA	NA
+PJ014223	GCCDDR 	C22H37N9O11S2	667.2054	NA	PeJP	NA	NA
+PJ014224	CNDMW 	C27H37N7O9S2	667.2094	NA	PeJP	NA	NA
+PJ014225	GGCDMW 	C27H37N7O9S2	667.2095	NA	PeJP	NA	NA
+PJ014226	SSNDDM 	C23H37N7O14S	667.2119	NA	PeJP	NA	NA
+PJ014227	GGSSDDM 	C23H37N7O14S	667.212	NA	PeJP	NA	NA
+PJ014228	SPCCQM 	C24H41N7O9S3	667.2128	NA	PeJP	NA	NA
+PJ014229	EEEMM 	C25H41N5O12S2	667.2193	NA	PeJP	NA	NA
+PJ014230	GSSSCNN 	C22H37N9O13S	667.2232	NA	PeJP	NA	NA
+PJ014231	SPCCCR 	C23H41N9O8S3	667.2241	NA	PeJP	NA	NA
+PJ014232	ACCWW 	C31H37N7O6S2	667.2247	NA	PeJP	NA	NA
+MJ089565	Alangiside; O-De-Me, 2'-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C34H37NO13	667.22649	NA	MeJP	NA	NA
+MJ089566	Alangiside; O-De-Me, 6'-(4-hydroxy-3-methoxycinnamoyl) 	C34H37NO13	667.22649	NA	MeJP	NA	NA
+PJ014233	GSSCEW 	C27H37N7O11S	667.2272	NA	PeJP	NA	NA
+PJ014234	CMMHF 	C28H41N7O6S3	667.2281	NA	PeJP	NA	NA
+PJ014235	GSSSSDE 	C23H37N7O16	667.2297	NA	PeJP	NA	NA
+PJ014236	GSNEMM 	C24H41N7O11S2	667.2306	NA	PeJP	NA	NA
+PJ014237	GCYYY 	C32H37N5O9S	667.2312	NA	PeJP	NA	NA
+PJ014238	DEEEF 	C28H37N5O14	667.2337	NA	PeJP	NA	NA
+PJ014239	GCNNNF 	C26H37N9O10S	667.2384	NA	PeJP	NA	NA
+PJ014240	GGGGGCNF 	C26H37N9O10S	667.2385	NA	PeJP	NA	NA
+PJ014241	GSCDMR 	C23H41N9O10S2	667.2418	NA	PeJP	NA	NA
+PJ014242	SSCWW 	C31H37N7O8S	667.2424	NA	PeJP	NA	NA
+PJ014243	CDHFF 	C31H37N7O8S	667.2425	NA	PeJP	NA	NA
+PJ014244	SSSSDW 	C27H37N7O13	667.2449	NA	PeJP	NA	NA
+PJ014245	NNEEY 	C27H37N7O13	667.245	NA	PeJP	NA	NA
+PJ014246	SNMMW 	C28H41N7O8S2	667.2458	NA	PeJP	NA	NA
+MJ089567	Alangiside; 3'-O-?-D-Glucopyranosyl 	C31H41NO15	667.247619	NA	MeJP	NA	NA
+MJ089568	Alangiside; 6'-O-?-D-Glucopyranosyl 	C31H41NO15	667.247619	NA	MeJP	NA	NA
+MJ089569	Alangiside; 6'-O-?-D-Glucopyranosyl 	C31H41NO15	667.247619	NA	MeJP	NA	NA
+MJ089570	Alangiside; O-De-Me, O2-Me, 6'-O-?-D-glucopyranosyl 	C31H41NO15	667.247619	NA	MeJP	NA	NA
+PJ014247	SSSQEM 	C24H41N7O13S	667.2483	NA	PeJP	NA	NA
+PJ014248	QQMMM 	C25H45N7O8S3	667.2492	NA	PeJP	NA	NA
+PJ014249	GSCQHH 	C25H37N11O9S	667.2497	NA	PeJP	NA	NA
+C15655	Kynostatin 272	C33H41N5O6S2	667.2498	NA	KEGG	NA	NA
+C15656	alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-	C35H55N3O28R2	667.2498	NA	KEGG	NA	NA
+MJ089571	N-(1,1-Dimethylethyl)-3-[2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide 	C33H41N5O6S2	667.249825	NA	MeJP	NA	NA
+PJ014250	PEEMY 	C29H41N5O11S	667.2524	NA	PeJP	NA	NA
+PJ014251	GSNNNY 	C26H37N9O12	667.2562	NA	PeJP	NA	NA
+PJ014252	TCCRW 	C27H41N9O7S2	667.2571	NA	PeJP	NA	NA
+PJ014253	SSSCER 	C23H41N9O12S	667.2596	NA	PeJP	NA	NA
+PJ014254	GNEYW 	C31H37N7O10	667.2602	NA	PeJP	NA	NA
+PJ014255	CQMMR 	C24H45N9O7S3	667.2604	NA	PeJP	NA	NA
+PJ014256	GSSTMW 	C28H41N7O10S	667.2636	NA	PeJP	NA	NA
+PJ014257	GSSSTTE 	C24H41N7O15	667.2661	NA	PeJP	NA	NA
+PJ014258	ASTQMM 	C25H45N7O10S2	667.2669	NA	PeJP	NA	NA
+PJ014259	GSDKMM 	C25H45N7O10S2	667.267	NA	PeJP	NA	NA
+PJ014260	SSSNHH 	C25H37N11O11	667.2674	NA	PeJP	NA	NA
+PJ014261	VEEEY 	C29H41N5O13	667.2701	NA	PeJP	NA	NA
+PJ014262	PNDHW 	C30H37N9O9	667.2715	NA	PeJP	NA	NA
+PJ014263	CCMRR 	C23H45N11O6S3	667.2717	NA	PeJP	NA	NA
+PJ014264	CNEFR 	C27H41N9O9S	667.2748	NA	PeJP	NA	NA
+PJ014265	NYWW 	C35H37N7O7	667.2755	NA	PeJP	NA	NA
+MJ089572	Enacyloxin IIa; 18'-Dechloro 	C33H46ClNO11	667.275939	NA	MeJP	NA	NA
+MJ089573	Enacyloxin IIb; 18'-Dechloro 	C33H46ClNO11	667.275939	NA	MeJP	NA	NA
+MJ089574	Neoacrimarine C 	C39H41NO9	667.278131	NA	MeJP	NA	NA
+PJ014266	GSSMMR 	C24H45N9O9S2	667.2782	NA	PeJP	NA	NA
+PJ014267	GQMFW 	C32H41N7O7S	667.2788	NA	PeJP	NA	NA
+PJ014268	GGAMFW 	C32H41N7O7S	667.2789	NA	PeJP	NA	NA
+PJ014269	SSSTTW 	C28H41N7O12	667.2813	NA	PeJP	NA	NA
+PJ014270	GGDKEY 	C28H41N7O12	667.2814	NA	PeJP	NA	NA
+PJ014271	TCKMW 	C29H45N7O7S2	667.2822	NA	PeJP	NA	NA
+PJ014272	NNHHF 	C29H37N11O8	667.2827	NA	PeJP	NA	NA
+PJ014273	SSSKEM 	C25H45N7O12S	667.2847	NA	PeJP	NA	NA
+PJ014274	PPEYY 	C33H41N5O10	667.2854	NA	PeJP	NA	NA
+PJ014275	QKMMM 	C26H49N7O7S3	667.2856	NA	PeJP	NA	NA
+PJ014276	GSCKHH 	C26H41N11O8S	667.2861	NA	PeJP	NA	NA
+PJ014277	LEEMF 	C30H45N5O10S	667.2887	NA	PeJP	NA	NA
+PJ014278	GCFRW 	C31H41N9O6S	667.2901	NA	PeJP	NA	NA
+PJ014279	SNERY 	C27H41N9O11	667.2926	NA	PeJP	NA	NA
+PJ014280	LMMHH 	C28H45N9O6S2	667.2935	NA	PeJP	NA	NA
+PJ014281	THHHH 	C28H37N13O7	667.2939	NA	PeJP	NA	NA
+PJ014282	SSSTMR 	C24H45N9O11S	667.2959	NA	PeJP	NA	NA
+PJ014283	GDKYW 	C32H41N7O9	667.2966	NA	PeJP	NA	NA
+PJ014284	CKMMR 	C25H49N9O6S3	667.2968	NA	PeJP	NA	NA
+PJ014285	VQQMY 	C29H45N7O9S	667.3	NA	PeJP	NA	NA
+PJ014286	SSSSSTL 	C25H45N7O14	667.3025	NA	PeJP	NA	NA
+PJ014287	GTTKMM 	C26H49N7O9S2	667.3033	NA	PeJP	NA	NA
+PJ014288	GSPDHR 	C26H41N11O10	667.3038	NA	PeJP	NA	NA
+PJ014289	GSRYW 	C31H41N9O8	667.3078	NA	PeJP	NA	NA
+8141	synthetic peptide	FYPEL	667.309	stimulating	Inhouse_peptide	NA	peptide
+PJ014290	AQMRY 	C28H45N9O8S	667.3112	NA	PeJP	NA	NA
+PJ014291	AHFFF 	C36H41N7O6	667.3119	NA	PeJP	NA	NA
+PJ014292	NNQHR 	C25H41N13O9	667.315	NA	PeJP	NA	NA
+3363	NA	GPAGAPGAA	667.315	celiac toxic	Inhouse_peptide	NA	peptide
+PJ014293	GGNQHR 	C25H41N13O9	667.3151	NA	PeJP	NA	NA
+PJ014294	GKMFW 	C33H45N7O6S	667.3152	NA	PeJP	NA	NA
+PJ014295	TQKEY 	C29H45N7O11	667.3177	NA	PeJP	NA	NA
+7473	coeliac toxic peptide	RIRVGQSMNMGS	667.32085	MH2+	Inhouse_peptide	NA	peptide
+PJ014296	STTTKM 	C26H49N7O11S	667.3211	NA	PeJP	NA	NA
+PJ014297	PLEFY 	C34H45N5O9	667.3217	NA	PeJP	NA	NA
+PJ014298	KKMMM 	C27H53N7O6S3	667.322	NA	PeJP	NA	NA
+PJ014299	ACRRY 	C27H45N11O7S	667.3224	NA	PeJP	NA	NA
+PJ014300	GAPMHR 	C27H45N11O7S	667.3225	NA	PeJP	NA	NA
+PJ014301	LLEMY 	C31H49N5O9S	667.3251	NA	PeJP	NA	NA
+PJ014302	SDKRY 	C28H45N9O10	667.329	NA	PeJP	NA	NA
+MJ089575	Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Serine, 4-L-tyrosine analogue 	C33H45N7O8	667.332961	NA	MeJP	NA	NA
+PJ014303	ATKYW 	C33H45N7O8	667.333	NA	PeJP	NA	NA
+PJ014304	PCHRR 	C26H45N13O6S	667.3337	NA	PeJP	NA	NA
+MJ089576	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3-Dimethylamino-3-phenylpropanoyl), 2,7,13-tri-Ac 	C37H49NO10	667.335646	NA	MeJP	NA	NA
+MJ089577	2,5,9,10-Tetrahydroxy-4(20),11-taxadien-13-one, 5-(3S-Dimethylamino-2R-hydroxy-3-phenylpropanoyl), 2,9,10-tri-Ac 	C37H49NO10	667.335646	NA	MeJP	NA	NA
+MJ089578	Comptonine 	C37H49NO10	667.335646	NA	MeJP	NA	NA
+MJ089579	Protostreptovaricin I; 14?-Hydroxy, 19-O-Me 	C37H49NO10	667.335646	NA	MeJP	NA	NA
+MJ089580	Spicaledonine 	C37H49NO10	667.335646	NA	MeJP	NA	NA
+MJ089581	Taxine B; 2,9-Di-Ac 	C37H49NO10	667.335646	NA	MeJP	NA	NA
+PJ014305	LNKMY 	C30H49N7O8S	667.3363	NA	PeJP	NA	NA
+PJ014306	VQKMY 	C30H49N7O8S	667.3364	NA	PeJP	NA	NA
+MJ089582	Ergokonin B; 3-O-(2S-Amino-4-methyl-3S-sulfooxypentanoyl) 	C34H53NO10S	667.339017	NA	MeJP	NA	NA
+PJ014307	SSRRY 	C27H45N11O9	667.3402	NA	PeJP	NA	NA
+PJ014308	PTKHW 	C32H45N9O7	667.3442	NA	PeJP	NA	NA
+3811	NA	PHCKRM	667.3454	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ014309	AKMRY 	C29H49N9O7S	667.3476	NA	PeJP	NA	NA
+MJ089583	Tryptophyllin 6.1 	C37H45N7O5	667.348217	NA	MeJP	NA	NA
+PJ014310	AEHRR 	C26H45N13O8	667.3514	NA	PeJP	NA	NA
+PJ014311	TKKEY 	C30H49N7O10	667.3541	NA	PeJP	NA	NA
+PJ014312	GLHRW 	C31H45N11O6	667.3555	NA	PeJP	NA	NA
+PJ014313	PLLYY 	C35H49N5O8	667.3581	NA	PeJP	NA	NA
+PJ014314	PKMHR 	C28H49N11O6S	667.3588	NA	PeJP	NA	NA
+PJ014315	TTKRY 	C29H49N9O9	667.3653	NA	PeJP	NA	NA
+PJ014316	GPPLER 	C29H49N9O9	667.3654	NA	PeJP	NA	NA
+PJ014317	GPPVLW 	C34H49N7O7	667.3694	NA	PeJP	NA	NA
+PJ014318	VKKMY 	C31H53N7O7S	667.3727	NA	PeJP	NA	NA
+PJ014319	PPPVKM 	C31H53N7O7S	667.3728	NA	PeJP	NA	NA
+PJ014320	VKEHR 	C28H49N11O8	667.3766	NA	PeJP	NA	NA
+PJ014321	PPLRW 	C33H49N9O6	667.3806	NA	PeJP	NA	NA
+PJ014322	SLHRR 	C27H49N13O7	667.3878	NA	PeJP	NA	NA
+PJ014323	PPVVKE 	C31H53N7O9	667.3905	NA	PeJP	NA	NA
+MJ089584	Mycinamycin VI 	C35H57NO11	667.393161	NA	MeJP	NA	NA
+MJ089585	Mycinamycin XVII 	C35H57NO11	667.393161	NA	MeJP	NA	NA
+C15682	Mycinamicin VI	C35H57NO11	667.3932	NA	KEGG	NA	NA
+PJ014324	LLLFY 	C36H53N5O7	667.3945	NA	PeJP	NA	NA
+PJ014325	SPPVLR 	C30H53N9O8	667.4017	NA	PeJP	NA	NA
+PJ014326	GAAPPKK 	C30H53N9O8	667.4018	NA	PeJP	NA	NA
+PJ014327	VKKFF 	C35H53N7O6	667.4058	NA	PeJP	NA	NA
+PJ014328	QKKKH 	C29H53N11O7	667.413	NA	PeJP	NA	NA
+PJ014329	PPTLLK 	C32H57N7O8	667.4269	NA	PeJP	NA	NA
+PJ014330	GPLLLR 	C31H57N9O7	667.4381	NA	PeJP	NA	NA
+MJ089586	Enniatin A1 	C35H61N3O9	667.44078	NA	MeJP	NA	NA
+MJ089587	Enniatin E 	C35H61N3O9	667.44078	NA	MeJP	NA	NA
+PJ014331	KKKKH 	C30H57N11O6	667.4494	NA	PeJP	NA	NA
+PJ014332	PVVLLK 	C33H61N7O7	667.4633	NA	PeJP	NA	NA
+EUR803	Lyso PC 24:0 [M-H+acetate]-	C32H66NO7P	667.478792	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR803	Lyso PC 24:0 [M-H+acetate]-	C32H66NO7P	667.478792	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR803	Lyso PC 24:0 [M-H+acetate]-	C32H66NO7P	667.478792	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR803	Lyso PC 24:0 [M-H+acetate]-	C32H66NO7P	667.478792	masses lipides attendues	Inhousejuil11	NA	NA
+7031	synthetic peptide from alpha-gliadin	QYPLGQGSFRPS	667.821	MH2+	Inhouse_peptide	NA	peptide
+MJ089588	Platyacanthin 	C27H24O20	668.086093	NA	MeJP	NA	NA
+MJ089589	Valolinic acid 	C27H24O20	668.086093	NA	MeJP	NA	NA
+MJ089590	Phenocyclinone 	C35H24O14	668.116605	NA	MeJP	NA	NA
+FL3FAHGS0002	Tricetin 3'-methyl ether 7,5'-diglucuronide	C28H28O19	668.12247	107668-77-9	knapsack	NA	NA
+MJ089591	3',4',5,5',7-Pentahydroxyflavone; 3'-Me ether, 5',7-di-O-?-D-glucuronopyranoside 	C28H28O19	668.122478	NA	MeJP	NA	NA
+MJ089592	4',5,6,7-Tetrahydroxyflavone; 3-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 7-O-?-D-glucuronopyranoside 	C32H28O16	668.137734	NA	MeJP	NA	NA
+MJ089593	Bijaponicaxanthone 	C36H28O13	668.15299	NA	MeJP	NA	NA
+MJ089594	Julichrome Q3.5; 10'-Ketone 	C36H28O13	668.15299	NA	MeJP	NA	NA
+MJ089595	Microcarpin; 8-O-?-D-Glucopyranoside 	C36H28O13	668.15299	NA	MeJP	NA	NA
+PJ014333	TCCCCH 	C22H36N8O8S4	668.1539	NA	PeJP	NA	NA
+FL3FFCGS0008	8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-glucoside]	C29H32O18	668.15886	108706-07-6	knapsack	NA	NA
+FL5FACGS0108	Euphorbianin;Quercetin 3-(6''-acetylglucosyl)-(1->3)-galactoside;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C29H32O18	668.15886	244183-77-5	knapsack	NA	NA
+FL5FAFGS0002	Dillenetin 5-glucoside-7-glucuronide	C29H32O18	668.15886	112368-23-7	knapsack	NA	NA
+MJ089596	3',4',5,7,8-Pentahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H32O18	668.158864	NA	MeJP	NA	NA
+MJ089597	3,5,7-Trihydroxy-3',4'-dimethoxyflavone; 5-O-?-D-Glucopyranoside, 7-O-?-D-glucuronopyranoside 	C29H32O18	668.158864	NA	MeJP	NA	NA
+MJ089598	Hyperin; 3''-O-(6-O-Acetyl-?-D-glucopyranosyl) 	C29H32O18	668.158864	NA	MeJP	NA	NA
+MJ089599	Isoquercitrin; 2''-O-?-D-Glucuronopyranosyl, Et ester 	C29H32O18	668.158864	NA	MeJP	NA	NA
+MJ089600	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C29H33O18(+)	668.158864	NA	MeJP	NA	NA
+PJ014334	SCDDDD 	C22H32N6O16S	668.1596	NA	PeJP	NA	NA
+PJ014335	PCCCDE 	C23H36N6O11S3	668.1605	NA	PeJP	NA	NA
+MJ089601	2',3,3',4,4'-Pentahydroxychalcone, 4'-Me ether, 4-O-[3,4-dihydroxycinnamoyl-(?2)-6-O-acetyl-?-D-glucopyranoside] 	C33H32O15	668.17412	NA	MeJP	NA	NA
+FL1C3CGS0025	Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)	C33H32O15	668.17412	142628-34-0	knapsack	NA	NA
+PJ014336	GCDDEM 	C23H36N6O13S2	668.1782	NA	PeJP	NA	NA
+MJ089602	Rebeccamycin; 6-N-[2-(Diethylamino)ethyl] 	C33H34Cl2N4O7	668.180454	NA	MeJP	NA	NA
+PJ014337	GCCCHF 	C26H36N8O7S3	668.1869	NA	PeJP	NA	NA
+PJ014338	SCCNNE 	C22H36N8O12S2	668.1894	NA	PeJP	NA	NA
+PJ014339	GGGGSCCE 	C22H36N8O12S2	668.1895	NA	PeJP	NA	NA
+PJ014340	CDDMW 	C27H36N6O10S2	668.1935	NA	PeJP	NA	NA
+FL3FGAGS0004	Nevadensin 5-gentiobioside;5-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C30H36O17	668.19524	178405-55-5	knapsack	NA	NA
+FL5FECGS0028	Jaceidin 7-neohesperidoside	C30H36O17	668.19524	101361-05-1	knapsack	NA	NA
+MJ089603	2',4',5,5',6,7-Hexahydroxyflavone; 2',5',6-Tri-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H36O17	668.195249	NA	MeJP	NA	NA
+MJ089604	3,3',4',5,6,7-Hexahydroxyflavone; 3',6,7-Tri-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O17	668.195249	NA	MeJP	NA	NA
+MJ089605	3,5-Dihydroxy-3',4',7-trimethoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] 	C30H36O17	668.195249	NA	MeJP	NA	NA
+MJ089606	4',5,6,7,8-Pentahydroxyflavone; 4',6,8-Tri-Me ether, 5-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H36O17	668.195249	NA	MeJP	NA	NA
+MJ089607	4',5,7-Trihydroxy-3,3',6-trimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H36O17	668.195249	NA	MeJP	NA	NA
+MJ089608	Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 6-O-(4-hydroxybenzoyl) 	C30H36O17	668.195249	NA	MeJP	NA	NA
+MJ089609	3,4',5-Trihydroxy-3',5',7-trimethoxyflavylium(1+); 3,5-Di-O-?-D-Glucopyranoside 	C30H37O17(+)	668.195249	NA	MeJP	NA	NA
+PJ014341	SSDDDM 	C23H36N6O15S	668.196	NA	PeJP	NA	NA
+PJ014342	SPCCEM 	C24H40N6O10S3	668.1968	NA	PeJP	NA	NA
+PJ014343	GSCCNW 	C26H36N8O9S2	668.2047	NA	PeJP	NA	NA
+PJ014344	GSSSCND 	C22H36N8O14S	668.2072	NA	PeJP	NA	NA
+PJ014345	GCNNMM 	C23H40N8O9S3	668.2081	NA	PeJP	NA	NA
+PJ014346	GPCDDY 	C27H36N6O12S	668.2112	NA	PeJP	NA	NA
+PJ014347	PPCCCF 	C28H40N6O7S3	668.2121	NA	PeJP	NA	NA
+PJ014348	GSDEMM 	C24H40N6O12S2	668.2146	NA	PeJP	NA	NA
+PJ014349	GPCMMM 	C25H44N6O7S4	668.2155	NA	PeJP	NA	NA
+PJ014350	GCCCQR 	C22H40N10O8S3	668.2193	NA	PeJP	NA	NA
+PJ014351	GCNNDF 	C26H36N8O11S	668.2225	NA	PeJP	NA	NA
+PJ014352	SSCNQM 	C23H40N8O11S2	668.2258	NA	PeJP	NA	NA
+PJ014353	NDEEY 	C27H36N6O14	668.229	NA	PeJP	NA	NA
+PJ014354	SDMMW 	C28H40N6O9S2	668.2298	NA	PeJP	NA	NA
+PJ014355	GPCDMF 	C28H40N6O9S2	668.2299	NA	PeJP	NA	NA
+MJ089610	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3-hydroxy-4-methoxycinnamoyl-(?2)-?-L-rhamnopyranoside] 	C31H40O16	668.231635	NA	MeJP	NA	NA
+MJ089611	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3-hydroxy-4-methoxycinnamoyl-(?3)-?-L-rhamnopyranoside] 	C31H40O16	668.231635	NA	MeJP	NA	NA
+MJ089612	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-L-rhamnopyranoside] 	C31H40O16	668.231635	NA	MeJP	NA	NA
+MJ089613	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[4-hydroxy-3-methoxycinnamoyl-(?3)-?-L-rhamnopyranoside] 	C31H40O16	668.231635	NA	MeJP	NA	NA
+MJ089614	Bruceosin; 18-Carboxylic acid, 2-O-?-D-glucopyranoside 	C31H40O16	668.231635	NA	MeJP	NA	NA
+MJ089615	Catalpol; 6-O-[4-Methoxycinnamoyl-(?4)-?-L-rhamnopyranoside] 	C31H40O16	668.231635	NA	MeJP	NA	NA
+PJ014356	SSSEEM 	C24H40N6O14S	668.2323	NA	PeJP	NA	NA
+PJ014357	QEMMM 	C25H44N6O9S3	668.2332	NA	PeJP	NA	NA
+PJ014358	GSCEHH 	C25H36N10O10S	668.2337	NA	PeJP	NA	NA
+PJ014359	SSCCNR 	C22H40N10O10S2	668.2371	NA	PeJP	NA	NA
+PJ014360	GSNNDY 	C26H36N8O13	668.2402	NA	PeJP	NA	NA
+PJ014361	GSSSSNM 	C23H40N8O13S	668.2436	NA	PeJP	NA	NA
+PJ014362	GDEYW 	C31H36N6O11	668.2442	NA	PeJP	NA	NA
+PJ014363	CEMMR 	C24H44N8O8S3	668.2444	NA	PeJP	NA	NA
+PJ014364	GCCQKM 	C24H44N8O8S3	668.2445	NA	PeJP	NA	NA
+MJ089616	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,2,14-tri-Ac 	C35H40O13	668.246891	NA	MeJP	NA	NA
+PJ014365	GSPDMY 	C28H40N6O11S	668.2476	NA	PeJP	NA	NA
+PJ014366	AMMMW 	C29H44N6O6S3	668.2485	NA	PeJP	NA	NA
+PJ014367	SCHHW 	C29H36N10O7S	668.2489	NA	PeJP	NA	NA
+PJ014368	GTTEMM 	C25H44N6O11S2	668.251	NA	PeJP	NA	NA
+PJ014369	SSSDHH 	C25H36N10O12	668.2514	NA	PeJP	NA	NA
+PJ014370	NMMHH 	C26H40N10O7S2	668.2523	NA	PeJP	NA	NA
+PJ014371	PDDHW 	C30H36N8O10	668.2555	NA	PeJP	NA	NA
+PJ014372	GCCCKR 	C23H44N10O7S3	668.2557	NA	PeJP	NA	NA
+PJ014373	NNQMY 	C27H40N8O10S	668.2588	NA	PeJP	NA	NA
+PJ014374	GGGGGAMY 	C27H40N8O10S	668.2589	NA	PeJP	NA	NA
+PJ014375	DYWW 	C35H36N6O8	668.2595	NA	PeJP	NA	NA
+MJ089617	6-Chloro-2,9,12,13,14-pentahydroxy-4,8(17)-briaradien-18,7-olide; 13-(3-Methylbutanoyl), 2,9,12,14-tetra-Ac 	C33H45ClO12	668.259954	NA	MeJP	NA	NA
+PJ014376	SSSSSSQ 	C23H40N8O15	668.2613	NA	PeJP	NA	NA
+PJ014377	SSCNKM 	C24H44N8O10S2	668.2622	NA	PeJP	NA	NA
+PJ014378	GNNNNH 	C24H36N12O11	668.2627	NA	PeJP	NA	NA
+PJ014379	PTCYW 	C32H40N6O8S	668.2629	NA	PeJP	NA	NA
+PJ014380	TQEEY 	C28H40N6O13	668.2654	NA	PeJP	NA	NA
+PJ014381	TTMMW 	C29H44N6O8S2	668.2662	NA	PeJP	NA	NA
+PJ014382	NDHHF 	C29H36N10O9	668.2667	NA	PeJP	NA	NA
+MJ089618	19-Hydroxydeacetylnomilinic acid; 3,19-Lactone, 17-O-?-D-glucopyranoside 	C32H44O15	668.26802	NA	MeJP	NA	NA
+MJ089619	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 10-(Hydroxyacetyl), 2,5,7,9,13-penta-Ac 	C32H44O15	668.26802	NA	MeJP	NA	NA
+MJ089620	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 10-(Hydroxyacetyl), 2,4,7,9,13-penta-Ac 	C32H44O15	668.26802	NA	MeJP	NA	NA
+MJ089621	Isolimonic acid; 17-O-?-D-Glucopyranoside 	C32H44O15	668.26802	NA	MeJP	NA	NA
+PJ014383	STTTEM 	C25H44N6O13S	668.2687	NA	PeJP	NA	NA
+PJ014384	KEMMM 	C26H48N6O8S3	668.2696	NA	PeJP	NA	NA
+PJ014385	CNNRY 	C26H40N10O9S	668.2701	NA	PeJP	NA	NA
+MJ089622	Pycmanilline 	C38H40N2O9	668.27338	NA	MeJP	NA	NA
+MJ089623	Secoobaberine, O12'-De-Me, carboxylic acid, Me ester 	C38H40N2O9	668.27338	NA	MeJP	NA	NA
+PJ014386	SDERY 	C27H40N8O12	668.2766	NA	PeJP	NA	NA
+PJ014387	PCMRY 	C28H44N8O7S2	668.2775	NA	PeJP	NA	NA
+PJ014388	MFWW 	C36H40N6O5S	668.2781	NA	PeJP	NA	NA
+MJ089624	Alphostatin 	C25H45N6O13P	668.278222	NA	MeJP	NA	NA
+PJ014389	GSSSTCK 	C24H44N8O12S	668.28	NA	PeJP	NA	NA
+PJ014390	ATEYW 	C32H40N6O10	668.2806	NA	PeJP	NA	NA
+PJ014391	TMMMR 	C25H48N8O7S3	668.2808	NA	PeJP	NA	NA
+7847	NA	YPFWG	668.283	immunomodulating	Inhouse_peptide	NA	peptide
+MJ089625	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 14-(2-methylbutanoyl), 8-Ac 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089626	Agrimols; Agrimol C 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089627	Agrimols; Agrimol G 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089628	Filixic acids; Filixic acid BBB 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089629	Humilinolide C; 6R-Acetoxy 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089630	Japonicin D 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089631	Triaspidin 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089632	Trisaemulins; Trisaemulin BBB 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089633	Trisaspidin 	C36H44O12	668.283276	NA	MeJP	NA	NA
+MJ089634	Trisparaaspidin 	C36H44O12	668.283276	NA	MeJP	NA	NA
+C10669	Agrimol C	C36H44O12	668.2833	NA	KEGG	NA	NA
+C10693	Filixic acid BBB	C36H44O12	668.2833	NA	KEGG	NA	NA
+PJ014392	VQEMY 	C29H44N6O10S	668.284	NA	PeJP	NA	NA
+PJ014393	SSTLMM 	C26H48N6O10S2	668.2873	NA	PeJP	NA	NA
+PJ014394	TTTCLM 	C26H48N6O10S2	668.2874	NA	PeJP	NA	NA
+PJ014395	SSTTHH 	C26H40N10O11	668.2878	NA	PeJP	NA	NA
+PJ014396	GGGGGVEH 	C26H40N10O11	668.2879	NA	PeJP	NA	NA
+3418	NA	HQAAGW	668.29	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ014397	NNQFF 	C31H40N8O9	668.2918	NA	PeJP	NA	NA
+PJ014398	PTEHW 	C31H40N8O9	668.2919	NA	PeJP	NA	NA
+MJ089635	Zaliline 	C35H44N2O11	668.29451	NA	MeJP	NA	NA
+PJ014399	AEMRY 	C28H44N8O9S	668.2952	NA	PeJP	NA	NA
+PJ014400	GPFYW 	C36H40N6O7	668.2959	NA	PeJP	NA	NA
+PJ014401	SSSSSSK 	C24H44N8O14	668.2977	NA	PeJP	NA	NA
+PJ014402	STCCKK 	C25H48N8O9S2	668.2986	NA	PeJP	NA	NA
+PJ014403	NNEHR 	C25H40N12O10	668.2991	NA	PeJP	NA	NA
+PJ014404	GLMYW 	C33H44N6O7S	668.2992	NA	PeJP	NA	NA
+PJ014405	GAPMFF 	C33H44N6O7S	668.2993	NA	PeJP	NA	NA
+PJ014406	TKEEY 	C29H44N6O12	668.3017	NA	PeJP	NA	NA
+PJ014407	PPPTEE 	C29H44N6O12	668.3018	NA	PeJP	NA	NA
+PJ014408	PKMMY 	C30H48N6O7S2	668.3026	NA	PeJP	NA	NA
+PJ014409	AQQHW 	C30H40N10O8	668.3031	NA	PeJP	NA	NA
+PJ014410	PEMHR 	C27H44N10O8S	668.3065	NA	PeJP	NA	NA
+MJ089636	Calafatine; N2'-Oxide(?-) 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089637	Calafatine; N2'-Oxide(?-) 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089638	Faurithaline 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089639	Hernandezine; N'-Oxide 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089640	Istanbulamine 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089641	Thalibrunine 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089642	Thalicarpine; O1,O5''-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089643	Thalicarpine; O1,O7'-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089644	Thalicarpine; O7',O5''-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089645	Thalidasine; 5-Hydroxy 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089646	Thalidasine; N2-Oxide (?-) 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089647	Thalifaberine; 5'-Hydroxy, 3-demethoxy, O9-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089648	Thalifaberine; O3,O6'-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089649	Thalifaberine; O3,O9-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089650	Thalifaberine; O6',O9-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089651	Thalifaberine; O7',O9-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089652	Thalirevolutine; O7',O4''-Di-de-Me 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089653	Thalistine 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089654	Thalmirabine 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089655	Thalrugosaminine; N2'-Oxide (?-) 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+MJ089656	Uskudaramine 	C39H44N2O8	668.309766	NA	MeJP	NA	NA
+PJ014411	PVMHW 	C32H44N8O6S	668.3105	NA	PeJP	NA	NA
+PJ014412	TTERY 	C28H44N8O11	668.313	NA	PeJP	NA	NA
+C13326	Kad 1229	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13327	Transferred to D01855	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13328	Transferred to D01856	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13329	Transferred to D01857	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13330	Transferred to D01858	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13331	Transferred to D01859	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13332	Transferred to D01860	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+C13333	Transferred to D01861	C10H16N2O2	668.3138	NA	KEGG	NA	NA
+PJ014413	CLMFR 	C29H48N8O6S2	668.3138	NA	PeJP	NA	NA
+PJ014414	GNHRW 	C29H40N12O7	668.3143	NA	PeJP	NA	NA
+7476	coeliac toxic peptide	VLKMAGNSFQEN	668.3151	MH2+	Inhouse_peptide	NA	peptide
+PJ014415	STLYW 	C33H44N6O9	668.317	NA	PeJP	NA	NA
+PJ014416	VKEMY 	C30H48N6O9S	668.3204	NA	PeJP	NA	NA
+PJ014417	VEEHR 	C27H44N10O10	668.3242	NA	PeJP	NA	NA
+PJ014418	VVEHW 	C32H44N8O8	668.3282	NA	PeJP	NA	NA
+PJ014419	GGGPPVW 	C32H44N8O8	668.3283	NA	PeJP	NA	NA
+MJ089657	Glaudelsine 	C36H48N2O10	668.330895	NA	MeJP	NA	NA
+MJ089658	Lycaconitine 	C36H48N2O10	668.330895	NA	MeJP	NA	NA
+MJ089659	Nudicauline; O14-De-Ac 	C36H48N2O10	668.330895	NA	MeJP	NA	NA
+C08673	14-Deacetylnudicauline	C36H48N2O10	668.3309	NA	KEGG	NA	NA
+C08696	Lycaconitine	C36H48N2O10	668.3309	NA	KEGG	NA	NA
+PJ014420	SLMRY 	C29H48N8O8S	668.3316	NA	PeJP	NA	NA
+PJ014421	GLFFW 	C37H44N6O6	668.3323	NA	PeJP	NA	NA
+PJ014422	TQQHR 	C26H44N12O9	668.3354	NA	PeJP	NA	NA
+PJ014423	NDKHR 	C26H44N12O9	668.3355	NA	PeJP	NA	NA
+PJ014424	PKMFF 	C34H48N6O6S	668.3356	NA	PeJP	NA	NA
+MJ089660	Comoramide A 	C34H48N6O6S	668.335603	NA	MeJP	NA	NA
+PJ014425	SSSLLY 	C30H48N6O11	668.3381	NA	PeJP	NA	NA
+PJ014426	LKMMF 	C31H52N6O6S2	668.339	NA	PeJP	NA	NA
+PJ014427	PPNRW 	C31H44N10O7	668.3395	NA	PeJP	NA	NA
+MJ089661	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-allopyranoside] 	C34H52O13	668.340791	NA	MeJP	NA	NA
+MJ089662	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] 	C34H52O13	668.340791	NA	MeJP	NA	NA
+MJ089663	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2-deoxy-?-D-xylo-hexopyranoside] 	C34H52O13	668.340791	NA	MeJP	NA	NA
+PJ014428	GPCKKH 	C28H48N10O7S	668.3429	NA	PeJP	NA	NA
+MJ089664	Capreomycin; Capreomycin IA 	C25H44N14O8	668.346654	NA	MeJP	NA	NA
+PJ014429	SNHRR 	C25H44N14O8	668.3467	NA	PeJP	NA	NA
+PJ014430	GSSKKY 	C29H48N8O10	668.3494	NA	PeJP	NA	NA
+PJ014431	PVKYY 	C34H48N6O8	668.3534	NA	PeJP	NA	NA
+MJ089665	Huratoxin; 5,20-Di-Ac 	C38H52O10	668.356047	NA	MeJP	NA	NA
+MJ089666	Myrtucommulone A 	C38H52O10	668.356047	NA	MeJP	NA	NA
+PJ014432	GPPDKR 	C28H48N10O9	668.3606	NA	PeJP	NA	NA
+PJ014433	TLLHW 	C33H48N8O7	668.3646	NA	PeJP	NA	NA
+7892	peptide from bovine b-lactoglobulin A	MHIRL	668.3674	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ014434	CKKKY 	C30H52N8O7S	668.368	NA	PeJP	NA	NA
+MJ089667	Tryptophyllin 7.1 	C38H48N6O5	668.368618	NA	MeJP	NA	NA
+PJ014435	GSPPRR 	C27H48N12O8	668.3718	NA	PeJP	NA	NA
+PJ014436	PPTLLE 	C31H52N6O10	668.3745	NA	PeJP	NA	NA
+PJ014437	AKKHW 	C32H48N10O6	668.3759	NA	PeJP	NA	NA
+MJ089668	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-oleandropyranoside] 	C35H56O12	668.377177	NA	MeJP	NA	NA
+MJ089669	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C35H56O12	668.377177	NA	MeJP	NA	NA
+PJ014438	LLMHR 	C29H52N10O6S	668.3792	NA	PeJP	NA	NA
+3529	ACE inhibitor	AVNPIR	668.3849	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ014439	SPPLQK 	C30H52N8O9	668.3857	NA	PeJP	NA	NA
+MJ089670	Miraziridine A 	C30H52N8O9	668.385725	NA	MeJP	NA	NA
+PJ014440	SSLLLH 	C30H52N8O9	668.3858	NA	PeJP	NA	NA
+PJ014441	VLKFY 	C35H52N6O7	668.3898	NA	PeJP	NA	NA
+MJ089671	Antibiotic VM 44866; 22-Deoxy, 13?-(2-methylpropanoyloxy), 5-Me ether 	C39H56O9	668.392433	NA	MeJP	NA	NA
+PJ014442	PPVLLM 	C32H56N6O7S	668.3932	NA	PeJP	NA	NA
+MJ089672	Ficus Latex peptide 1 	C29H52N10O8	668.396958	NA	MeJP	NA	NA
+PJ014443	APPTKR 	C29H52N10O8	668.397	NA	PeJP	NA	NA
+PJ014444	PLQRR 	C28H52N12O7	668.4082	NA	PeJP	NA	NA
+PJ014445	PVVLLE 	C32H56N6O9	668.4109	NA	PeJP	NA	NA
+MJ089673	Cymbidoside 	C36H60O11	668.413562	NA	MeJP	NA	NA
+MJ089674	Surgumycin 	C36H60O11	668.413562	NA	MeJP	NA	NA
+PJ014446	SPPLKK 	C31H56N8O8	668.4221	NA	PeJP	NA	NA
+PJ014447	GGPVVLK 	C31H56N8O8	668.4222	NA	PeJP	NA	NA
+MJ089675	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 20-(9Z,12Z-Octadecadienoyl), 13-Ac 	C40H60O8	668.428818	NA	MeJP	NA	NA
+PJ014448	GPVLKR 	C30H56N10O7	668.4334	NA	PeJP	NA	NA
+MJ089676	Criamide A 	C35H56N8O5	668.437366	NA	MeJP	NA	NA
+MetaCyc04033	1-18:3-2-trans-16:1-sn-glycerol-3-phosphate []	C37H65O8P1	668.441706	NA	metacyc	NA	NA
+PJ014449	PLKRR 	C29H56N12O6	668.4446	NA	PeJP	NA	NA
+PJ014450	PTLLLL 	C33H60N6O8	668.4473	NA	PeJP	NA	NA
+PJ014451	APLLKK 	C32H60N8O7	668.4585	NA	PeJP	NA	NA
+PJ014452	VVLLLL 	C34H64N6O7	668.4837	NA	PeJP	NA	NA
+EUR1035	d18:1-12:0 SM [M+Na]+	C35H71N2O6P	668.486922	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1035	d18:1-12:0 SM [M+Na]+	C35H71N2O6P	668.486922	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1035	d18:1-12:0 SM [M+Na]+	C35H71N2O6P	668.486922	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1035	d18:1-12:0 SM [M+Na]+	C35H71N2O6P	668.486922	masses lipides attendues	Inhousejuil11	NA	NA
+MJ089677	Pukeensine 	C44H64N2O3	668.491693	NA	MeJP	NA	NA
+MJ089678	33,44-Dihydroxy-3,18,25,42-hexatetracontatetraene-1,31,34,45-tetrayn-20-one 	C46H68O3	668.516846	NA	MeJP	NA	NA
+MJ089679	Isopetroformyne 1 	C46H68O3	668.516846	NA	MeJP	NA	NA
+MJ089680	Petroformyne 1 	C46H68O3	668.516846	NA	MeJP	NA	NA
+MJ089681	Batzelladine G 	C39H68N6O3	668.53529	NA	MeJP	NA	NA
+HMDB07179	DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07206	DG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07207	DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07235	DG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07236	DG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07263	DG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07349	DG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07404	DG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07431	DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07432	DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07458	DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07459	DG(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07487	DG(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07488	DG(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07515	DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07544	DG(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07572	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07657	DG(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07683	DG(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07710	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07711	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07739	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07740	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+HMDB07767	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/0:0)	C43H72O5	668.537964	NA	HMDB2010	NA	NA
+C05812	2-Octaprenyl-6-methoxyphenol	C47H72O2	668.5532	NA	KEGG	NA	NA
+MJ089682	4,21,27,44-Heptatetracontatetraene-1,12,15,46-tetrayne-3,14-diol 	C47H72O2	668.553231	NA	MeJP	NA	NA
+MetaCyc04034	2-octaprenyl-6-methoxyphenol []	C47H72O2	668.553232	NA	metacyc	NA	NA
+MJ089683	Archaeol; 3''R-Hydroxy 	C43H88O4	668.668261	NA	MeJP	NA	NA
+MJ089684	Archaeol; 3'R-Hydroxy 	C43H88O4	668.668261	NA	MeJP	NA	NA
+MJ089685	Tubastraine 	C30H25Br2NO7	668.999777	NA	MeJP	NA	NA
+MJ089686	2'-Adenylic acid; 3'-O-(3,4-Di-O-phospho-?-D-glucopyranoside) 	C16H26N5O18P3	669.048568	NA	MeJP	NA	NA
+C13727	Adenophostin A	C16H26N5O18P3	669.0486	NA	KEGG	NA	NA
+MJ089687	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-Bioside (2) 	C35H25O14	669.12443	NA	MeJP	NA	NA
+C05821	Enterochelin	C30H27N3O15	669.1442	NA	KEGG	NA	NA
+MJ089688	Enterobactin 	C30H27N3O15	669.144217	NA	MeJP	NA	NA
+MetaCyc04035	enterobactin [Enterochelin;]	C30H27N3O15	669.144217	NA	metacyc	NA	NA
+FL7AAGGL0067	Delphinidin 3-glucoside-5-(6-acetylglucoside)	C29H33O18	669.16668	202661-55-0	knapsack	NA	NA
+PJ014453	CCCNNN 	C21H35N9O10S3	669.1669	NA	PeJP	NA	NA
+PJ014454	GGGGGGCCC 	C21H35N9O10S3	669.167	NA	PeJP	NA	NA
+PJ014455	SCCNDE 	C22H35N7O13S2	669.1734	NA	PeJP	NA	NA
+PJ014456	GGSCCDE 	C22H35N7O13S2	669.1735	NA	PeJP	NA	NA
+PJ014457	PCCCNM 	C23H39N7O8S4	669.1743	NA	PeJP	NA	NA
+PJ014458	GSCCDW 	C26H35N7O10S2	669.1887	NA	PeJP	NA	NA
+PJ014459	GSSSCDD 	C22H35N7O15S	669.1912	NA	PeJP	NA	NA
+PJ014460	GCNDMM 	C23H39N7O10S3	669.1921	NA	PeJP	NA	NA
+FL7ACIGL0001	Hirsutin	C30H37O17	669.20307	32221-58-2	knapsack	NA	NA
+PJ014461	GCCCER 	C22H39N9O9S3	669.2033	NA	PeJP	NA	NA
+PJ014462	GCNDDF 	C26H35N7O12S	669.2065	NA	PeJP	NA	NA
+PJ014463	CCQMW 	C27H39N7O7S3	669.2073	NA	PeJP	NA	NA
+PJ014464	SSCNEM 	C23H39N7O12S2	669.2098	NA	PeJP	NA	NA
+PJ014465	GCCNHH 	C24H35N11O8S2	669.2112	NA	PeJP	NA	NA
+PJ014466	DDEEY 	C27H35N5O15	669.213	NA	PeJP	NA	NA
+PJ014467	EEMMM 	C25H43N5O10S3	669.2172	NA	PeJP	NA	NA
+PJ014468	CCCRW 	C26H39N9O6S3	669.2186	NA	PeJP	NA	NA
+PJ014469	SSCCDR 	C22H39N9O11S2	669.2211	NA	PeJP	NA	NA
+PJ014470	GSNDDY 	C26H35N7O14	669.2242	NA	PeJP	NA	NA
+PJ014471	GSSCMW 	C27H39N7O9S2	669.2251	NA	PeJP	NA	NA
+MJ089689	Geodiamolide TA 	C30H44IN3O6	669.227479	NA	MeJP	NA	NA
+PJ014472	GSSSSDM 	C23H39N7O14S	669.2276	NA	PeJP	NA	NA
+PJ014473	GSNMMM 	C24H43N7O9S3	669.2285	NA	PeJP	NA	NA
+PJ014474	DEEMF 	C28H39N5O12S	669.2316	NA	PeJP	NA	NA
+PJ014475	DMMHH 	C26H39N9O8S2	669.2363	NA	PeJP	NA	NA
+PJ014476	GTCCMR 	C23H43N9O8S3	669.2397	NA	PeJP	NA	NA
+PJ014477	SSSTCW 	C27H39N7O11S	669.2428	NA	PeJP	NA	NA
+PJ014478	GGNEMY 	C27H39N7O11S	669.2429	NA	PeJP	NA	NA
+PJ014479	CCKMW 	C28H43N7O6S3	669.2437	NA	PeJP	NA	NA
+PJ014480	SSSSSSE 	C23H39N7O16	669.2453	NA	PeJP	NA	NA
+PJ014481	SSSQMM 	C24H43N7O11S2	669.2462	NA	PeJP	NA	NA
+PJ014482	GNNNDH 	C24H35N11O12	669.2467	NA	PeJP	NA	NA
+PJ014483	TEEEY 	C28H39N5O14	669.2494	NA	PeJP	NA	NA
+PJ014484	PEMMY 	C29H43N5O9S2	669.2502	NA	PeJP	NA	NA
+PJ014485	DDHHF 	C29H35N9O10	669.2507	NA	PeJP	NA	NA
+PJ014486	CNDRY 	C26H39N9O10S	669.2541	NA	PeJP	NA	NA
+PJ014487	CHHHH 	C27H35N13O6S	669.2554	NA	PeJP	NA	NA
+PJ014488	SSSCMR 	C23H43N9O10S2	669.2574	NA	PeJP	NA	NA
+PJ014489	GNMYW 	C31H39N7O8S	669.2581	NA	PeJP	NA	NA
+PJ014490	GSSQEY 	C27H39N7O13	669.2606	NA	PeJP	NA	NA
+PJ014491	GPCCKY 	C28H43N7O8S2	669.2615	NA	PeJP	NA	NA
+PJ014492	GSSSTTM 	C24H43N7O13S	669.264	NA	PeJP	NA	NA
+PJ014493	PDEFY 	C32H39N5O11	669.2646	NA	PeJP	NA	NA
+PJ014494	SVCCKM 	C25H47N7O8S3	669.2648	NA	PeJP	NA	NA
+PJ014495	GTCKMM 	C25H47N7O8S3	669.2649	NA	PeJP	NA	NA
+PJ014496	VEEMY 	C29H43N5O11S	669.268	NA	PeJP	NA	NA
+PJ014497	PCQHW 	C30H39N9O7S	669.2693	NA	PeJP	NA	NA
+PJ014498	GAPCHW 	C30H39N9O7S	669.2694	NA	PeJP	NA	NA
+PJ014499	QQEEH 	C26H39N9O12	669.2718	NA	PeJP	NA	NA
+PJ014500	GAQEEH 	C26H39N9O12	669.2719	NA	PeJP	NA	NA
+PJ014501	CNMFR 	C27H43N9O7S2	669.2727	NA	PeJP	NA	NA
+PJ014502	SSQYW 	C31H39N7O10	669.2758	NA	PeJP	NA	NA
+PJ014503	GGSTYW 	C31H39N7O10	669.2759	NA	PeJP	NA	NA
+MJ089690	Auramycin C; 3''-Deoxy 	C35H43NO12	669.278525	NA	MeJP	NA	NA
+PJ014504	NDKMY 	C28H43N7O10S	669.2792	NA	PeJP	NA	NA
+PJ014505	GGPPPDM 	C28H43N7O10S	669.2793	NA	PeJP	NA	NA
+PJ014506	SSSSTTT 	C24H43N7O15	669.2817	NA	PeJP	NA	NA
+PJ014507	SSSKMM 	C25H47N7O10S2	669.2826	NA	PeJP	NA	NA
+PJ014508	NDEHR 	C25H39N11O11	669.2831	NA	PeJP	NA	NA
+PJ014509	PPMYY 	C33H43N5O8S	669.2832	NA	PeJP	NA	NA
+PJ014510	PEMFF 	C33H43N5O8S	669.2833	NA	PeJP	NA	NA
+PJ014511	LEMMF 	C30H47N5O8S2	669.2866	NA	PeJP	NA	NA
+PJ014512	AQEHW 	C30H39N9O9	669.2871	NA	PeJP	NA	NA
+PJ014513	SNMRY 	C27H43N9O9S	669.2905	NA	PeJP	NA	NA
+PJ014514	GNFFW 	C35H39N7O7	669.2911	NA	PeJP	NA	NA
+MJ089691	Enacyloxin IIa; 18'-Dechloro, 15'-alcohol 	C33H48ClNO11	669.291589	NA	MeJP	NA	NA
+MJ089692	Enacyloxin IIb; 18'-Dechloro, 15'-alcohol 	C33H48ClNO11	669.291589	NA	MeJP	NA	NA
+PJ014515	ACKYW 	C32H43N7O7S	669.2945	NA	PeJP	NA	NA
+PJ014516	GSSKEY 	C28H43N7O12	669.297	NA	PeJP	NA	NA
+PJ014517	NKMMF 	C29H47N7O7S2	669.2979	NA	PeJP	NA	NA
+PJ014518	GDHRW 	C29H39N11O8	669.2983	NA	PeJP	NA	NA
+7718	NA	SKWDNFRGSWG	669.2984	MH2+	Inhouse_peptide	NA	peptide
+PJ014519	PVEYY 	C33H43N5O10	669.301	NA	PeJP	NA	NA
+PJ014520	GPTCHR 	C26H43N11O8S	669.3017	NA	PeJP	NA	NA
+PJ014521	AAHWW 	C34H39N9O6	669.3024	NA	PeJP	NA	NA
+PJ014522	PCKHW 	C31H43N9O6S	669.3057	NA	PeJP	NA	NA
+PJ014523	GSSTRY 	C27H43N9O11	669.3082	NA	PeJP	NA	NA
+PJ014524	GGGGAASPP 	C27H43N9O11	669.3083	NA	PeJP	NA	NA
+PJ014525	SSKYW 	C32H43N7O9	669.3122	NA	PeJP	NA	NA
+PJ014526	AAPPEW 	C32H43N7O9	669.3123	NA	PeJP	NA	NA
+MJ089693	31-Homorifamycin W 	C36H47NO11	669.314911	NA	MeJP	NA	NA
+PJ014527	TQKMY 	C29H47N7O9S	669.3156	NA	PeJP	NA	NA
+PJ014528	PPFFY 	C37H43N5O7	669.3163	NA	PeJP	NA	NA
+PJ014529	TQEHR 	C26H43N11O10	669.3195	NA	PeJP	NA	NA
+PJ014530	PLMFY 	C34H47N5O7S	669.3196	NA	PeJP	NA	NA
+PJ014531	LLMMY 	C31H51N5O7S2	669.323	NA	PeJP	NA	NA
+PJ014532	PPDRW 	C31H43N9O8	669.3235	NA	PeJP	NA	NA
+MJ089694	Bulleyanitine B 	C35H47N3O10	669.326144	NA	MeJP	NA	NA
+MJ089695	Bulleyanitine C 	C35H47N3O10	669.326144	NA	MeJP	NA	NA
+MJ089696	Pacifidine; N-(4-Amino-3-methyl-4-oxobutanoyl) 	C35H47N3O10	669.326144	NA	MeJP	NA	NA
+PJ014533	TCKRY 	C28H47N9O8S	669.3268	NA	PeJP	NA	NA
+PJ014534	PPPTCR 	C28H47N9O8S	669.3269	NA	PeJP	NA	NA
+MJ089697	Tuberactinomycin O 	C25H43N13O9	669.33067	NA	MeJP	NA	NA
+MetaCyc04036	tuberactinomycin O [(R)-6-[L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine]viomycin;]	C25H43N13O9	669.33067	NA	metacyc	NA	NA
+PJ014535	SDHRR 	C25H43N13O9	669.3307	NA	PeJP	NA	NA
+PJ014536	GTTTKY 	C29H47N7O11	669.3334	NA	PeJP	NA	NA
+PJ014537	ATHRW 	C30H43N11O7	669.3347	NA	PeJP	NA	NA
+PJ014538	VLEFY 	C34H47N5O9	669.3374	NA	PeJP	NA	NA
+PJ014539	VQMHR 	C27H47N11O7S	669.3381	NA	PeJP	NA	NA
+2716	erythromycin inhibitor	MFLLF	669.3444	NA	Inhouse_peptide	NA	peptide
+PJ014540	APPTER 	C28H47N9O10	669.3446	NA	PeJP	NA	NA
+PJ014541	GPPTLW 	C33H47N7O8	669.3486	NA	PeJP	NA	NA
+PJ014542	AMHRR 	C26H47N13O6S	669.3493	NA	PeJP	NA	NA
+MJ089698	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 10,13-di-Ac 	C37H51NO10	669.351296	NA	MeJP	NA	NA
+MJ089699	Spicataxine 	C37H51NO10	669.351296	NA	MeJP	NA	NA
+PJ014543	TKKMY 	C30H51N7O8S	669.352	NA	PeJP	NA	NA
+PJ014544	PLFFF 	C38H47N5O6	669.3527	NA	PeJP	NA	NA
+PJ014545	TKEHR 	C27H47N11O9	669.3558	NA	PeJP	NA	NA
+PJ014546	GSTLHR 	C27H47N11O9	669.3559	NA	PeJP	NA	NA
+PJ014547	LLMFF 	C35H51N5O6S	669.356	NA	PeJP	NA	NA
+MJ089700	Broussonetinine A; 4,13'-Di-O-?-D-glucopyranoside 	C30H55NO15	669.35717	NA	MeJP	NA	NA
+PJ014548	SLKHW 	C32H47N9O7	669.3599	NA	PeJP	NA	NA
+MJ089701	Oxazolomycin; 16R-Methyl 	C36H51N3O9	669.36253	NA	MeJP	NA	NA
+MJ089702	Oxazolomycin; 16S-Methyl 	C36H51N3O9	669.36253	NA	MeJP	NA	NA
+PJ014549	GPPLMR 	C29H51N9O7S	669.3633	NA	PeJP	NA	NA
+MJ089703	Phoslactomycin; Leustroducsin B 	C34H56NO10P	669.364183	NA	MeJP	NA	NA
+MJ089704	Phoslactomycin; Leustroducsin C 	C34H56NO10P	669.364183	NA	MeJP	NA	NA
+PJ014550	TTHRR 	C26H47N13O8	669.3671	NA	PeJP	NA	NA
+PJ014551	SPPLKE 	C30H51N7O10	669.3698	NA	PeJP	NA	NA
+PJ014552	VLLYY 	C35H51N5O8	669.3738	NA	PeJP	NA	NA
+PJ014553	VKMHR 	C28H51N11O6S	669.3745	NA	PeJP	NA	NA
+PJ014554	GPVLER 	C29H51N9O9	669.381	NA	PeJP	NA	NA
+PJ014555	AAPLLW 	C34H51N7O7	669.385	NA	PeJP	NA	NA
+MJ089705	Lituarine C; 4,5-Dideoxy 	C38H55NO9	669.387682	NA	MeJP	NA	NA
+PJ014556	PPVVKM 	C31H55N7O7S	669.3884	NA	PeJP	NA	NA
+PJ014557	PLERR 	C28H51N11O8	669.3922	NA	PeJP	NA	NA
+PJ014558	PVLRW 	C33H51N9O6	669.3963	NA	PeJP	NA	NA
+PJ014559	PNKRR 	C27H51N13O7	669.4035	NA	PeJP	NA	NA
+PJ014560	SPLLLQ 	C31H55N7O9	669.4061	NA	PeJP	NA	NA
+PJ014561	APLLKE 	C31H55N7O9	669.4062	NA	PeJP	NA	NA
+MJ089706	Pseudodestruxin B 	C36H55N5O7	669.410149	NA	MeJP	NA	NA
+PJ014562	APTLLR 	C30H55N9O8	669.4174	NA	PeJP	NA	NA
+PJ014563	AAPKKR 	C29H55N11O7	669.4286	NA	PeJP	NA	NA
+MJ089707	Antibiotic SF 1902A4a 	C33H59N5O9	669.431278	NA	MeJP	NA	NA
+MJ089708	Antibiotic SF 1902A4b 	C33H59N5O9	669.431278	NA	MeJP	NA	NA
+MJ089709	Antibiotic SUAM 20012; Me ester 	C33H59N5O9	669.431278	NA	MeJP	NA	NA
+MetaCyc04037	globomycin []	C33H59N5O9	669.431279	NA	metacyc	NA	NA
+PJ014564	SPLLLK 	C32H59N7O8	669.4425	NA	PeJP	NA	NA
+PJ014565	GAALLLL 	C32H59N7O8	669.4426	NA	PeJP	NA	NA
+PJ014566	GVLLLR 	C31H59N9O7	669.4538	NA	PeJP	NA	NA
+PJ014567	LLLRR 	C30H59N11O6	669.465	NA	PeJP	NA	NA
+PJ014568	ALLLLK 	C33H63N7O7	669.4789	NA	PeJP	NA	NA
+MJ089710	2,3',4,5'-Tetrabromo-2',6-dihydroxydiphenyl ether; 3,5-Dibromo 	C12H4Br6O3	669.526069	NA	MeJP	NA	NA
+MJ089711	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-23-methyltetracosanoyl) 	C41H83NO5	669.627124	NA	MeJP	NA	NA
+MJ089712	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxypentacosanoyl) 	C41H83NO5	669.627124	NA	MeJP	NA	NA
+MJ089713	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxytricosanoyl) 	C41H83NO5	669.627124	NA	MeJP	NA	NA
+MJ089714	Alusulf 	Al7H17O25S2	669.820801	NA	MeJP	NA	NA
+MJ089715	Hydroxypentafuhalol A 	C30H22O18	670.080613	NA	MeJP	NA	NA
+FL5FAGGS0011	Myricetin 3,7-diglucuronide	C27H26O20	670.10174	115473-27-3	knapsack	NA	NA
+MJ089716	3,3',4',5,5',7-Hexahydroxyflavone; 3,7-Di-O-?-D-glucuronopyranoside 	C27H26O20	670.101743	NA	MeJP	NA	NA
+MJ089717	Cefpimizole 	C28H26N6O10S2	670.115182	NA	MeJP	NA	NA
+PJ014569	CCCCCH 	C21H34N8O7S5	670.1154	NA	PeJP	NA	NA
+MJ089718	Skyrin, 2-O-?-D-Xylopyranoside 	C35H26O14	670.132255	NA	MeJP	NA	NA
+MJ089719	Skyrin, 2-O-?-Arabinopyranoside 	C35H26O14	670.132255	NA	MeJP	NA	NA
+MJ089720	Blepharismins; Blepharismin 1 	C39H26O11	670.147511	NA	MeJP	NA	NA
+PJ014570	CCCNND 	C21H34N8O11S3	670.1509	NA	PeJP	NA	NA
+PJ014571	GGCCCND 	C21H34N8O11S3	670.151	NA	PeJP	NA	NA
+FL5FECGS0056	Patuletin 3-(6''-(E)-feruloylglucoside);Quercetagetin 6-methyl ether 3-(6''-(E)-feruloylglucoside);2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-6-methoxy-4H-1-Benzopyran-4-one	C32H30O16	670.15338	447440-60-0	knapsack	NA	NA
+MJ089721	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 9,9'-Di(shikim-5-yl) ester 	C32H30O16	670.153384	NA	MeJP	NA	NA
+MJ089722	Alterporriol D 	C32H30O16	670.153384	NA	MeJP	NA	NA
+PJ014572	SCCDDE 	C22H34N6O14S2	670.1575	NA	PeJP	NA	NA
+PJ014573	PCCCDM 	C23H38N6O9S4	670.1583	NA	PeJP	NA	NA
+MJ089723	Julichrome Q3.5 	C36H30O13	670.168641	NA	MeJP	NA	NA
+MJ089724	Antibiotic BE 52440A; Monoalcohol 	C33H34O13S	670.172011	NA	MeJP	NA	NA
+FL5FECGL0012	Spinacetin 3-gentiobioside	C29H34O18	670.17451	101021-29-8	knapsack	NA	NA
+FL5FECGS0018	Tomentin 6,4'-diglucoside	C29H34O18	670.17451	64190-91-6	knapsack	NA	NA
+FL5FFCGL0011	Limocitrin 3-sophoroside	C29H34O18	670.17451	114882-19-8	knapsack	NA	NA
+FL5FFCGL0013	Limocitrin 3,7-diglucoside	C29H34O18	670.17451	111133-91-6	knapsack	NA	NA
+FL5FGCGA0001	Limocitrol 3-alpha-L-arabinopyranosyl-(1->3)-galactoside;3-[(3-O-alpha-L-Arabinopyranosyl-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one	C29H34O18	670.17451	153976-16-0	knapsack	NA	NA
+MJ089725	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-[?-L-arabinopyranosyl-(1?3)-?-D-galactopyranoside] 	C29H34O18	670.174514	NA	MeJP	NA	NA
+MJ089726	3,3',4',5-Tetrahydroxy-6,7-dimethoxyflavone; 3-O-(?-D-Glucosyl-?-D-galactoside) 	C29H34O18	670.174514	NA	MeJP	NA	NA
+MJ089727	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H34O18	670.174514	NA	MeJP	NA	NA
+MJ089728	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3,7-Di-O-?-D-glucopyranoside 	C29H34O18	670.174514	NA	MeJP	NA	NA
+MJ089729	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C29H34O18	670.174514	NA	MeJP	NA	NA
+MJ089730	Adenomycin; De-O-seryl 	C22H34N6O16S	670.175199	NA	MeJP	NA	NA
+PJ014574	GCDDMM 	C23H38N6O11S3	670.1761	NA	PeJP	NA	NA
+PJ014575	SCCNNM 	C22H38N8O10S3	670.1873	NA	PeJP	NA	NA
+MJ089731	Haedoxan I; 4'',6''-Dimethoxy 	C33H34O15	670.18977	NA	MeJP	NA	NA
+MJ089732	Picramnioside E; 10-Epimer, 8-O-?-D-glucopyranoside 	C33H34O15	670.18977	NA	MeJP	NA	NA
+PJ014576	GCDDDF 	C26H34N6O13S	670.1905	NA	PeJP	NA	NA
+PJ014577	CCEMW 	C27H38N6O8S3	670.1913	NA	PeJP	NA	NA
+PJ014578	SSCDEM 	C23H38N6O13S2	670.1939	NA	PeJP	NA	NA
+3978	ACE inhibitor	CMENSA	670.1943	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ014579	SPCCMM 	C24H42N6O8S4	670.1947	NA	PeJP	NA	NA
+PJ014580	GCCDHH 	C24H34N10O9S2	670.1952	NA	PeJP	NA	NA
+PJ014581	GSSSCCQ 	C22H38N8O12S2	670.2051	NA	PeJP	NA	NA
+PJ014582	GSDDDY 	C26H34N6O15	670.2082	NA	PeJP	NA	NA
+PJ014583	GPCCEY 	C27H38N6O10S2	670.2091	NA	PeJP	NA	NA
+MJ089733	1,2,3,4,6,8-Hexahydroxyxanthone; 1,2,3,4,6-Penta-Me ether, 8-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H38O17	670.210899	NA	MeJP	NA	NA
+MJ089734	Catalpol; 10-O-(3,4-Dihydroxy-E-cinnamoyl), 6-O-?-L-rhamnopyranoside 	C30H38O17	670.210899	NA	MeJP	NA	NA
+MJ089735	Catalpol; 10-O-(4-Hydroxybenzoyl), 6-O-(4-O-acetyl-?-L-rhamnopyranoside) 	C30H38O17	670.210899	NA	MeJP	NA	NA
+PJ014584	GSDMMM 	C24H42N6O10S3	670.2125	NA	PeJP	NA	NA
+MJ089736	Citbismine B 	C36H34N2O11	670.216259	NA	MeJP	NA	NA
+PJ014585	GCCNQF 	C26H38N8O9S2	670.2203	NA	PeJP	NA	NA
+PJ014586	GGGCCQF 	C26H38N8O9S2	670.2204	NA	PeJP	NA	NA
+PJ014587	SSSSSCN 	C22H38N8O14S	670.2228	NA	PeJP	NA	NA
+PJ014588	SCCCQK 	C23H42N8O9S3	670.2237	NA	PeJP	NA	NA
+PJ014589	PCCYW 	C31H38N6O7S2	670.2244	NA	PeJP	NA	NA
+MJ089737	Diospyrol; 8,8'-Diglucosyl 	C34H38O14	670.226155	NA	MeJP	NA	NA
+PJ014590	NDEMY 	C27H38N6O12S	670.2269	NA	PeJP	NA	NA
+PJ014591	TCMMW 	C28H42N6O7S3	670.2277	NA	PeJP	NA	NA
+PJ014592	SSSEMM 	C24H42N6O12S2	670.2302	NA	PeJP	NA	NA
+PJ014593	GNNDDH 	C24H34N10O13	670.2307	NA	PeJP	NA	NA
+PJ014594	QMMMM 	C25H46N6O7S4	670.2311	NA	PeJP	NA	NA
+MJ089738	Fagopyrine 	C40H34N2O8	670.231516	NA	MeJP	NA	NA
+PJ014595	GSCMHH 	C25H38N10O8S2	670.2316	NA	PeJP	NA	NA
+MJ089739	Aplysiatoxin 	C32H47BrO10	670.23526	NA	MeJP	NA	NA
+C16769	Aplysiatoxin	C32H47BrO10	670.2353	NA	KEGG	NA	NA
+PJ014596	CDDRY 	C26H38N8O11S	670.2381	NA	PeJP	NA	NA
+MJ089740	6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 12-Butanoyl, 2,9,11,14-tetra-Ac 	C32H43ClO13	670.239219	NA	MeJP	NA	NA
+PJ014597	GSSSCCK 	C23H42N8O11S2	670.2415	NA	PeJP	NA	NA
+PJ014598	GDMYW 	C31H38N6O9S	670.2421	NA	PeJP	NA	NA
+PJ014599	CMMMR 	C24H46N8O6S4	670.2423	NA	PeJP	NA	NA
+MJ089741	4-[4-[4-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-1,2,4-triazol-3-one 	C32H31F5N8O3	670.243927	NA	MeJP	NA	NA
+PJ014600	GSSEEY 	C27H38N6O14	670.2446	NA	PeJP	NA	NA
+PJ014601	GPTCMY 	C28H42N6O9S2	670.2455	NA	PeJP	NA	NA
+MJ089742	Bruceosin; 2',3'-Dihydro, 18-carboxylic acid, 2-O-?-D-glucopyranoside 	C31H42O16	670.247285	NA	MeJP	NA	NA
+MJ089743	Cycloolivil, 9-O-[?-D-Apiofuranosyl(1?6)-?-D-glucopyranoside] 	C31H42O16	670.247285	NA	MeJP	NA	NA
+MJ089744	Olivil; 9-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C31H42O16	670.247285	NA	MeJP	NA	NA
+PJ014602	GTTMMM 	C25H46N6O9S3	670.2489	NA	PeJP	NA	NA
+PJ014603	SSTCHH 	C25H38N10O10S	670.2493	NA	PeJP	NA	NA
+PJ014604	GGGGSPCH 	C25H38N10O10S	670.2494	NA	PeJP	NA	NA
+PJ014605	PCEHW 	C30H38N8O8S	670.2534	NA	PeJP	NA	NA
+PJ014606	SSSNNY 	C26H38N8O13	670.2558	NA	PeJP	NA	NA
+PJ014607	GGSSSNY 	C26H38N8O13	670.2559	NA	PeJP	NA	NA
+PJ014608	CDMFR 	C27H42N8O8S2	670.2567	NA	PeJP	NA	NA
+PJ014609	SSEYW 	C31H38N6O11	670.2599	NA	PeJP	NA	NA
+PJ014610	SCCCKK 	C24H46N8O8S3	670.2601	NA	PeJP	NA	NA
+PJ014611	CCLFW 	C32H42N6O6S2	670.2607	NA	PeJP	NA	NA
+PJ014612	GMMFW 	C32H42N6O6S2	670.2608	NA	PeJP	NA	NA
+PJ014613	TQEMY 	C28H42N6O11S	670.2632	NA	PeJP	NA	NA
+PJ014614	GATEMY 	C28H42N6O11S	670.2633	NA	PeJP	NA	NA
+PJ014615	YYYY 	C36H38N4O9	670.2639	NA	PeJP	NA	NA
+PJ014616	CQHHF 	C29H38N10O7S	670.2646	NA	PeJP	NA	NA
+PJ014617	STTTMM 	C25H46N6O11S2	670.2666	NA	PeJP	NA	NA
+PJ014618	DDEHR 	C25H38N10O12	670.2671	NA	PeJP	NA	NA
+PJ014619	KMMMM 	C26H50N6O6S4	670.2675	NA	PeJP	NA	NA
+PJ014620	AEEHW 	C30H38N8O10	670.2711	NA	PeJP	NA	NA
+MJ089745	Antibiotic 301B; 5-O-Deglycosyl, N4-de-Me 	C34H42N2O12	670.273774	NA	MeJP	NA	NA
+MJ089746	Antibiotic NA 30851A 	C34H42N2O12	670.273774	NA	MeJP	NA	NA
+PJ014621	SDMRY 	C27H42N8O10S	670.2745	NA	PeJP	NA	NA
+PJ014622	GDFFW 	C35H38N6O8	670.2751	NA	PeJP	NA	NA
+PJ014623	ATMYW 	C32H42N6O8S	670.2785	NA	PeJP	NA	NA
+MJ089747	Tetrandrine, N2-Chloromethyl 	C39H44ClN2O6(+)	670.280964	NA	MeJP	NA	NA
+PJ014624	GTTTEY 	C28H42N6O13	670.281	NA	PeJP	NA	NA
+PJ014625	VQMMY 	C29H46N6O8S2	670.2819	NA	PeJP	NA	NA
+PJ014626	SNQHW 	C29H38N10O9	670.2823	NA	PeJP	NA	NA
+PJ014627	GGSQHW 	C29H38N10O9	670.2824	NA	PeJP	NA	NA
+MJ089748	Betolide; 17-Alcohol, 14,15-di-O-?-D-glucopyranoside 	C32H46O15	670.28367	NA	MeJP	NA	NA
+PJ014628	QQQMH 	C26H42N10O9S	670.2857	NA	PeJP	NA	NA
+PJ014629	PTMHW 	C31H42N8O7S	670.2897	NA	PeJP	NA	NA
+PJ014630	KEEEH 	C27H42N8O12	670.2922	NA	PeJP	NA	NA
+PJ014631	GSLEEH 	C27H42N8O12	670.2923	NA	PeJP	NA	NA
+PJ014632	AMMRY 	C28H46N8O7S2	670.2931	NA	PeJP	NA	NA
+PJ014633	GSPHHH 	C28H38N12O8	670.2936	NA	PeJP	NA	NA
+PJ014634	TTTYW 	C32H42N6O10	670.2963	NA	PeJP	NA	NA
+PJ014635	NNMHR 	C25H42N12O8S	670.2969	NA	PeJP	NA	NA
+PJ014636	GGNMHR 	C25H42N12O8S	670.297	NA	PeJP	NA	NA
+MJ089749	Premyrsinol; 5-Benzoyl, 3-propanoyl, 7,13,17-tri-Ac 	C36H46O12	670.298926	NA	MeJP	NA	NA
+PJ014637	TKEMY 	C29H46N6O10S	670.2996	NA	PeJP	NA	NA
+PJ014638	CKHHF 	C30H42N10O6S	670.301	NA	PeJP	NA	NA
+4003	NA	FFGLMG	670.3024	haemolytic	Inhouse_peptide	NA	peptide
+PJ014639	TEEHR 	C26H42N10O11	670.3035	NA	PeJP	NA	NA
+PJ014640	PMMHR 	C27H46N10O6S2	670.3044	NA	PeJP	NA	NA
+PJ014641	SLEHW 	C31H42N8O9	670.3075	NA	PeJP	NA	NA
+MJ089750	15-Anhydrothyrsiferol; ?15(28)-Isomer, di-Ac 	C34H55BrO8	670.308031	NA	MeJP	NA	NA
+MJ089751	15-Anhydrothyrsiferol; Di-Ac 	C34H55BrO8	670.308031	NA	MeJP	NA	NA
+PJ014642	TTMRY 	C28H46N8O9S	670.3109	NA	PeJP	NA	NA
+PJ014643	GVFYW 	C36H42N6O7	670.3115	NA	PeJP	NA	NA
+PJ014644	GSSQHR 	C25H42N12O10	670.3147	NA	PeJP	NA	NA
+PJ014645	VQMFF 	C33H46N6O7S	670.3149	NA	PeJP	NA	NA
+MJ089752	Scandomelonine 	C41H42N4O5	670.31552	NA	MeJP	NA	NA
+PJ014646	SSTTLY 	C29H46N6O12	670.3174	NA	PeJP	NA	NA
+PJ014647	VKMMY 	C30H50N6O7S2	670.3183	NA	PeJP	NA	NA
+PJ014648	SNKHW 	C30H42N10O8	670.3187	NA	PeJP	NA	NA
+MJ089753	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-xylopyranoside] 	C33H50O14	670.320056	NA	MeJP	NA	NA
+PJ014649	VEMHR 	C27H46N10O8S	670.3221	NA	PeJP	NA	NA
+PJ014650	FRYW 	C35H42N8O6	670.3228	NA	PeJP	NA	NA
+MJ089754	Malekulatine 	C39H46N2O8	670.325416	NA	MeJP	NA	NA
+MJ089755	Thalirugidine 	C39H46N2O8	670.325416	NA	MeJP	NA	NA
+MJ089756	Vanuatine 	C39H46N2O8	670.325416	NA	MeJP	NA	NA
+PJ014651	VVMHW 	C32H46N8O6S	670.3261	NA	PeJP	NA	NA
+PJ014652	ATTLEH 	C28H46N8O11	670.3286	NA	PeJP	NA	NA
+PJ014653	AAAAAAPE 	C28H46N8O11	670.3287	NA	PeJP	NA	NA
+PJ014654	LQHHH 	C29H42N12O7	670.33	NA	PeJP	NA	NA
+3358	ACE inhibitor	YALPHA	670.331	celiac toxic	Inhouse_peptide	NA	peptide
+PJ014655	PTKYY 	C33H46N6O9	670.3326	NA	PeJP	NA	NA
+PJ014656	GGVLYY 	C33H46N6O9	670.3327	NA	PeJP	NA	NA
+PJ014657	CQKHR 	C26H46N12O7S	670.3333	NA	PeJP	NA	NA
+PJ014658	GACKHR 	C26H46N12O7S	670.3334	NA	PeJP	NA	NA
+MJ089757	Xyloccensin A 	C37H50O11	670.335312	NA	MeJP	NA	NA
+MJ089758	Xyloccensin G 	C37H50O11	670.335312	NA	MeJP	NA	NA
+PJ014659	PPVVEM 	C30H50N6O9S	670.336	NA	PeJP	NA	NA
+MJ089759	Cholestane-3,6,12,21-tetrol, 12-O-?-D-Xylopyranoside, 3-sulfate, Na salt 	C32H55NaO11S	670.336277	NA	MeJP	NA	NA
+PJ014660	AAPQER 	C27H46N10O10	670.3399	NA	PeJP	NA	NA
+PJ014661	GSPPKW 	C32H46N8O8	670.3439	NA	PeJP	NA	NA
+PJ014662	GTLLMH 	C29H50N8O8S	670.3473	NA	PeJP	NA	NA
+PJ014663	PNERR 	C26H46N12O9	670.3511	NA	PeJP	NA	NA
+PJ014664	VKMFF 	C34H50N6O6S	670.3513	NA	PeJP	NA	NA
+MJ089760	Bistabersonine 	C42H46N4O4	670.351905	NA	MeJP	NA	NA
+MJ089761	Voafrine A; 3'-Epimer 	C42H46N4O4	670.351905	NA	MeJP	NA	NA
+PJ014665	APLLEE 	C30H50N6O11	670.3538	NA	PeJP	NA	NA
+MJ089762	Pyroglutamylserylleucylarginyltryptophanamide; L-L-L-L-form 	C31H46N10O7	670.355093	NA	MeJP	NA	NA
+PJ014666	PVNRW 	C31H46N10O7	670.3551	NA	PeJP	NA	NA
+MJ089763	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-canaropyranoside] 	C34H54O13	670.356441	NA	MeJP	NA	NA
+PJ014667	APPCKR 	C28H50N10O7S	670.3585	NA	PeJP	NA	NA
+PJ014668	STTLLH 	C29H50N8O10	670.365	NA	PeJP	NA	NA
+PJ014669	GPRRW 	C30H46N12O6	670.3664	NA	PeJP	NA	NA
+PJ014670	VVKYY 	C34H50N6O8	670.369	NA	PeJP	NA	NA
+PJ014671	CKKHR 	C27H50N12O6S	670.3697	NA	PeJP	NA	NA
+MJ089764	22,23-Dihydroxymilbemycin ?1; 23-O-(2,4-Dimethyl-2-pentenoyl) 	C38H54O10	670.371697	NA	MeJP	NA	NA
+MJ089765	Antibiotic VM 44866; 13?-(2-Methylpropanoyloxy) 	C38H54O10	670.371697	NA	MeJP	NA	NA
+MJ089766	Antibiotic VM 44866; 23?-(2-Methylpropanoyloxy) 	C38H54O10	670.371697	NA	MeJP	NA	NA
+MJ089767	Onchitriol I; 4,13-Diepimer, tri-Ac 	C38H54O10	670.371697	NA	MeJP	NA	NA
+PJ014672	PPTLLM 	C31H54N6O8S	670.3724	NA	PeJP	NA	NA
+PJ014673	SSPPKR 	C28H50N10O9	670.3762	NA	PeJP	NA	NA
+PJ014674	AAPKER 	C28H50N10O9	670.3763	NA	PeJP	NA	NA
+PJ014675	PLQKW 	C33H50N8O7	670.3803	NA	PeJP	NA	NA
+MJ089768	Delajacine 	C37H54N2O9	670.382931	NA	MeJP	NA	NA
+MJ089769	Lycoctonine; 18-O-[2-[(2-Methylbutanoyl)amino]benzoyl] (S-) 	C37H54N2O9	670.382931	NA	MeJP	NA	NA
+PJ014676	APPKKM 	C30H54N8O7S	670.3837	NA	PeJP	NA	NA
+MJ089770	Amphibine E 	C38H50N6O5	670.384268	NA	MeJP	NA	NA
+MJ089771	Saquinavir 	C38H50N6O5	670.384268	NA	MeJP	NA	NA
+PJ014677	PDKRR 	C27H50N12O8	670.3875	NA	PeJP	NA	NA
+PJ014678	SPLLLE 	C31H54N6O10	670.3902	NA	PeJP	NA	NA
+MJ089772	Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Proline, 4-L-arginine analogue 	C32H50N10O6	670.391479	NA	MeJP	NA	NA
+PJ014679	VLHFR 	C32H50N10O6	670.3915	NA	PeJP	NA	NA
+C13299	Fungichromin	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13300	Transferred to D01830	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13301	Transferred to D01831	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13302	Transferred to D01832	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13303	Transferred to D01833	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13304	Transferred to D01834	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13305	Transferred to D01835	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13306	Transferred to D01836	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13307	Transferred to D01837	C35H58O12	670.3928	NA	KEGG	NA	NA
+C13308	Transferred to D01838	C35H58O12	670.3928	NA	KEGG	NA	NA
+MJ089773	Antibiotic 250-144C 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089774	Chalcomycin; 10,11-Dihydro, 8-deoxy, 12,13-deepoxy, 12,13-dihydro 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089775	Elizabethin 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089776	Fungichromin 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089777	Pregn-5-ene-3,8,11,12,14,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089778	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089779	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C35H58O12	670.392827	NA	MeJP	NA	NA
+MJ089780	3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginyladipoyl) 	C36H54N4O8	670.394164	NA	MeJP	NA	NA
+PJ014680	KKKMH 	C29H54N10O6S	670.3949	NA	PeJP	NA	NA
+PJ014681	SPRRR 	C26H50N14O7	670.3987	NA	PeJP	NA	NA
+PJ014682	GPLKKE 	C30H54N8O9	670.4014	NA	PeJP	NA	NA
+PJ014683	PPVVLF 	C35H54N6O7	670.4054	NA	PeJP	NA	NA
+PJ014684	PVVLLM 	C32H58N6O7S	670.4088	NA	PeJP	NA	NA
+2583	tenecin-1 (34-42)	CNGKRVCVC~	670.4109	antibacterial	Inhouse_peptide	NA	peptide
+PJ014685	GPTLKR 	C29H54N10O8	670.4126	NA	PeJP	NA	NA
+PJ014686	GGGVLLR 	C29H54N10O8	670.4127	NA	PeJP	NA	NA
+PJ014687	PLKKW 	C34H54N8O6	670.4167	NA	PeJP	NA	NA
+MJ089781	Bronianone 	C43H58O6	670.423339	NA	MeJP	NA	NA
+MJ089782	Guttiferone B 	C43H58O6	670.423339	NA	MeJP	NA	NA
+MJ089783	Guttiferone C 	C43H58O6	670.423339	NA	MeJP	NA	NA
+PJ014688	VLQRR 	C28H54N12O7	670.4239	NA	PeJP	NA	NA
+PJ014689	ALLLLE 	C32H58N6O9	670.4266	NA	PeJP	NA	NA
+C06693	Monensin	C36H62O11	670.4292	NA	KEGG	NA	NA
+MJ089784	14,17:20,24-Diepoxy-3,12,25,30-malabaricanetetrol, 3-O-?-D-Glucopyranoside 	C36H62O11	670.429212	NA	MeJP	NA	NA
+MJ089785	Dammar-23-ene-1,2,3,20,25-pentol, 25-Hydroperoxide, 3-O-?-D-glucopyranoside 	C36H62O11	670.429212	NA	MeJP	NA	NA
+MJ089786	Dammar-25-ene-1,2,3,20,24-pentol, 24-Hydroperoxide, 3-O-?-D-glucopyranoside 	C36H62O11	670.429212	NA	MeJP	NA	NA
+MJ089787	Monensin; Monensin A 	C36H62O11	670.429212	NA	MeJP	NA	NA
+PJ014690	ALRRR 	C27H54N14O6	670.4351	NA	PeJP	NA	NA
+PJ014691	SPVLKK 	C31H58N8O8	670.4378	NA	PeJP	NA	NA
+MJ089788	12-Oleanene-3,15,16,21,22,28-hexol, 21,22-Di-O-angeloyl 	C40H62O8	670.444468	NA	MeJP	NA	NA
+MJ089789	12-Oleanene-3,16,21,22,23,28-hexol, 21,22-Diangeloyl 	C40H62O8	670.444468	NA	MeJP	NA	NA
+MJ089790	12-Oleanene-3,16,21,22,23,28-hexol, 21,22-Ditigloyl 	C40H62O8	670.444468	NA	MeJP	NA	NA
+MJ089791	12-Oleanene-3,16,21,22,24,28-hexol, 21,22-Diangeloyl 	C40H62O8	670.444468	NA	MeJP	NA	NA
+PJ014692	AALLKR 	C30H58N10O7	670.449	NA	PeJP	NA	NA
+MetaCyc04038	1-18:2-2-trans-16:1-sn-glycerol-3-phosphate []	C37H67O8P1	670.457356	NA	metacyc	NA	NA
+PJ014693	VLKRR 	C29H58N12O6	670.4603	NA	PeJP	NA	NA
+PJ014694	SLLLLL 	C33H62N6O8	670.4629	NA	PeJP	NA	NA
+PJ014695	GLLLKK 	C32H62N8O7	670.4742	NA	PeJP	NA	NA
+MJ089792	Pleuromutilin; 1'-O-(9-Eicosenoyl) 	C42H70O6	670.517239	NA	MeJP	NA	NA
+MJ089793	4,20,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,22-triol 	C46H70O3	670.532496	NA	MeJP	NA	NA
+MJ089794	4,21,26,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,28-triol 	C46H70O3	670.532496	NA	MeJP	NA	NA
+MJ089795	4,21,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,17-triol 	C46H70O3	670.532496	NA	MeJP	NA	NA
+MJ089796	4,21,28,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,27-triol 	C46H70O3	670.532496	NA	MeJP	NA	NA
+MJ089797	4,22,27,43-Hexatetracontatetraene-1,12,15,45-tetrayne-3,14,21-triol 	C46H70O3	670.532496	NA	MeJP	NA	NA
+MJ089798	Petrocortyne C 	C46H70O3	670.532496	NA	MeJP	NA	NA
+HMDB05233	DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C43H74O5	670.55365	http://www.hmdb.ca/metabolites/HMDB05233	HMDB	NA	NA
+HMDB05233	DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C43H74O5	670.55365	HMDB05233	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07177	DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07178	DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07205	DG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07234	DG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07291	DG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07320	DG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07348	DG(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07375	DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07402	DG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07403	DG(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07429	DG(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07430	DG(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07457	DG(20:3(5Z,8Z,11Z)/20:2(11Z,14Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07486	DG(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07514	DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07543	DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07571	DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:0/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07628	DG(22:1(13Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07655	DG(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07656	DG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07681	DG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07682	DG(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07709	DG(22:5(4Z,7Z,10Z,13Z,16Z)/18:0/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB07738	DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:0/0:0)	C43H74O5	670.55365	NA	HMDB2010	NA	NA
+HMDB06731	CE(20:5(5Z,8Z,11Z,14Z,17Z)	C47H74O2	670.568909	NA	HMDB2010	NA	NA
+HMDB06731	Cholesteryl eicosapentaenoic acid	C47H74O2	670.56891	http://www.hmdb.ca/metabolites/HMDB06731	HMDB	NA	NA
+HMDB06731	Cholesteryl eicosapentaenoic acid	C47H74O2	670.56891	HMDB06731	PFEM_hmdb_metabocards_official	NA	NA
+MJ089799	Ioglicic acid 	C13H12I3N3O5	670.7911	NA	MeJP	NA	NA
+MJ089800	Iobutoic acid 	C15H16I3NO5	670.816252	NA	MeJP	NA	NA
+MJ089801	Heptacosafluorotributylamine 	C12F27N	670.95996	NA	MeJP	NA	NA
+PJ014696	CCCNDD 	C21H33N7O12S3	671.135	NA	PeJP	NA	NA
+PJ014697	GSPCCCC 	C22H37N7O9S4	671.1536	NA	PeJP	NA	NA
+MJ089802	Enterochelin 	C30H29N3O15	671.159867	NA	MeJP	NA	NA
+PJ014698	SCCNDM 	C22H37N7O11S3	671.1713	NA	PeJP	NA	NA
+PJ014699	GGSCCDM 	C22H37N7O11S3	671.1714	NA	PeJP	NA	NA
+PJ014700	GTCCCW 	C26H37N7O8S3	671.1866	NA	PeJP	NA	NA
+PJ014701	GSSSCCE 	C22H37N7O13S2	671.1891	NA	PeJP	NA	NA
+PJ014702	GCCQMM 	C23H41N7O8S4	671.19	NA	PeJP	NA	NA
+PJ014703	GCCCMR 	C22H41N9O7S4	671.2012	NA	PeJP	NA	NA
+PJ014704	SSSCCW 	C26H37N7O10S2	671.2044	NA	PeJP	NA	NA
+PJ014705	SSSSSCD 	C22H37N7O15S	671.2068	NA	PeJP	NA	NA
+PJ014706	SSCNMM 	C23H41N7O10S3	671.2077	NA	PeJP	NA	NA
+PJ014707	DDEMY 	C27H37N5O13S	671.2109	NA	PeJP	NA	NA
+PJ014708	GNDDDH 	C24H33N9O14	671.2147	NA	PeJP	NA	NA
+PJ014709	EMMMM 	C25H45N5O8S4	671.2151	NA	PeJP	NA	NA
+PJ014710	STCCCR 	C22H41N9O9S3	671.219	NA	PeJP	NA	NA
+PJ014711	CCNFW 	C30H37N7O7S2	671.2196	NA	PeJP	NA	NA
+PJ014712	GSCNEY 	C26H37N7O12S	671.2221	NA	PeJP	NA	NA
+PJ014713	GSSSTCM 	C23H41N7O12S2	671.2255	NA	PeJP	NA	NA
+PJ014714	GCCKMM 	C24H45N7O7S4	671.2264	NA	PeJP	NA	NA
+PJ014715	DEMMF 	C28H41N5O10S2	671.2295	NA	PeJP	NA	NA
+PJ014716	SPCNDH 	C25H37N9O11S	671.2334	NA	PeJP	NA	NA
+PJ014717	SCNYW 	C30H37N7O9S	671.2374	NA	PeJP	NA	NA
+PJ014718	SSSNDY 	C26H37N7O14	671.2399	NA	PeJP	NA	NA
+PJ014719	NNMMY 	C27H41N7O9S2	671.2407	NA	PeJP	NA	NA
+PJ014720	GGGGMMY 	C27H41N7O9S2	671.2408	NA	PeJP	NA	NA
+PJ014721	SSSSSSM 	C23H41N7O14S	671.2432	NA	PeJP	NA	NA
+PJ014722	PDDYY 	C31H37N5O12	671.2439	NA	PeJP	NA	NA
+PJ014723	STCCKM 	C24H45N7O9S3	671.2441	NA	PeJP	NA	NA
+PJ014724	GCNNQH 	C24H37N11O10S	671.2446	NA	PeJP	NA	NA
+PJ014725	TEEMY 	C28H41N5O12S	671.2473	NA	PeJP	NA	NA
+PJ014726	PMMMY 	C29H45N5O7S3	671.2481	NA	PeJP	NA	NA
+PJ014727	CEHHF 	C29H37N9O8S	671.2486	NA	PeJP	NA	NA
+PJ014728	GSNEEH 	C25H37N9O13	671.2511	NA	PeJP	NA	NA
+PJ014729	CCQRY 	C26H41N9O8S2	671.252	NA	PeJP	NA	NA
+PJ014730	NNDFY 	C30H37N7O11	671.2551	NA	PeJP	NA	NA
+MJ089803	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-(3-furancarbonyl), 14-(2-methylpropanoyl), 2,6-di-Ac 	C34H41NO13	671.25779	NA	MeJP	NA	NA
+MJ089804	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(3-furancarbonyl), 6-(2-methylpropanoyl), 2,14-di-Ac 	C34H41NO13	671.25779	NA	MeJP	NA	NA
+MJ089805	Antibiotic TAN 1120 	C34H41NO13	671.25779	NA	MeJP	NA	NA
+PJ014731	GSSQMY 	C27H41N7O11S	671.2585	NA	PeJP	NA	NA
+PJ014732	SSNNNH 	C24H37N11O12	671.2623	NA	PeJP	NA	NA
+PJ014733	GGGGSSNH 	C24H37N11O12	671.2624	NA	PeJP	NA	NA
+PJ014734	PDMFY 	C32H41N5O9S	671.2625	NA	PeJP	NA	NA
+PJ014735	GPCCHR 	C25H41N11O7S2	671.2632	NA	PeJP	NA	NA
+PJ014736	VEMMY 	C29H45N5O9S2	671.2659	NA	PeJP	NA	NA
+PJ014737	SNEHW 	C29H37N9O10	671.2664	NA	PeJP	NA	NA
+PJ014738	GSSCRY 	C26H41N9O10S	671.2697	NA	PeJP	NA	NA
+PJ014739	GGGVDMH 	C26H41N9O10S	671.2698	NA	PeJP	NA	NA
+PJ014740	CQQFF 	C31H41N7O8S	671.2737	NA	PeJP	NA	NA
+PJ014741	NNMFF 	C31H41N7O8S	671.2738	NA	PeJP	NA	NA
+PJ014742	SSSTQY 	C27H41N7O13	671.2762	NA	PeJP	NA	NA
+PJ014743	GGSSTTY 	C27H41N7O13	671.2763	NA	PeJP	NA	NA
+PJ014744	CQKMY 	C28H45N7O8S2	671.2771	NA	PeJP	NA	NA
+PJ014745	PTEYY 	C32H41N5O11	671.2803	NA	PeJP	NA	NA
+PJ014746	NDMHR 	C25H41N11O9S	671.281	NA	PeJP	NA	NA
+PJ014747	PMMFF 	C33H45N5O6S2	671.2812	NA	PeJP	NA	NA
+PJ014748	GSHWW 	C33H37N9O7	671.2816	NA	PeJP	NA	NA
+PJ014749	LMMMF 	C30H49N5O6S3	671.2845	NA	PeJP	NA	NA
+PJ014750	AQMHW 	C30H41N9O7S	671.285	NA	PeJP	NA	NA
+PJ014751	GSDKEH 	C26H41N9O12	671.2875	NA	PeJP	NA	NA
+PJ014752	CCKRY 	C27H45N9O7S2	671.2884	NA	PeJP	NA	NA
+PJ014753	NQHHH 	C27H37N13O8	671.2888	NA	PeJP	NA	NA
+PJ014754	GSPPEW 	C31H41N7O10	671.2915	NA	PeJP	NA	NA
+MJ089806	Rifamycin W; 30-Hydroxy 	C35H45NO12	671.294175	NA	MeJP	NA	NA
+PJ014755	GSSKMY 	C28H45N7O10S	671.2949	NA	PeJP	NA	NA
+PJ014756	PDFFF 	C36H41N5O8	671.2955	NA	PeJP	NA	NA
+PJ014757	ACHRW 	C29H41N11O6S	671.2962	NA	PeJP	NA	NA
+PJ014758	GSSEHR 	C25H41N11O11	671.2987	NA	PeJP	NA	NA
+PJ014759	GGGGGPDR 	C25H41N11O11	671.2988	NA	PeJP	NA	NA
+PJ014760	PVMYY 	C33H45N5O8S	671.2989	NA	PeJP	NA	NA
+PJ014761	SDKHW 	C30H41N9O9	671.3027	NA	PeJP	NA	NA
+PJ014762	GSSVHW 	C30H41N9O9	671.3028	NA	PeJP	NA	NA
+PJ014763	GPPDMR 	C27H45N9O9S	671.3061	NA	PeJP	NA	NA
+PJ014764	SPPWW 	C35H41N7O7	671.3068	NA	PeJP	NA	NA
+MJ089807	Naphthomycin B; Dechloro 	C39H45NO9	671.309432	NA	MeJP	NA	NA
+PJ014765	AAPPMW 	C32H45N7O7S	671.3101	NA	PeJP	NA	NA
+PJ014766	GPPCLW 	C32H45N7O7S	671.3102	NA	PeJP	NA	NA
+PJ014767	SSSTKY 	C28H45N7O12	671.3126	NA	PeJP	NA	NA
+PJ014768	GPLQEE 	C28H45N7O12	671.3127	NA	PeJP	NA	NA
+PJ014769	CKKMY 	C29H49N7O7S2	671.3135	NA	PeJP	NA	NA
+PJ014770	SSHRW 	C29H41N11O8	671.314	NA	PeJP	NA	NA
+PJ014771	VVEYY 	C33H45N5O10	671.3167	NA	PeJP	NA	NA
+PJ014772	TQMHR 	C26H45N11O8S	671.3173	NA	PeJP	NA	NA
+PJ014773	GATMHR 	C26H45N11O8S	671.3174	NA	PeJP	NA	NA
+PJ014774	AKMHW 	C31H45N9O6S	671.3214	NA	PeJP	NA	NA
+MJ089808	Antrimycin; Antrimycin Av 	C27H45N9O11	671.323853	NA	MeJP	NA	NA
+PJ014775	AAPEER 	C27H45N9O11	671.3239	NA	PeJP	NA	NA
+PJ014776	NKHHH 	C28H41N13O7	671.3252	NA	PeJP	NA	NA
+PJ014777	PLQEW 	C32H45N7O9	671.3279	NA	PeJP	NA	NA
+PJ014778	TCHRR 	C25H45N13O7S	671.3286	NA	PeJP	NA	NA
+PJ014779	APPKEM 	C29H49N7O9S	671.3313	NA	PeJP	NA	NA
+PJ014780	PVFFY 	C37H45N5O7	671.3319	NA	PeJP	NA	NA
+PJ014781	PDERR 	C26H45N11O10	671.3351	NA	PeJP	NA	NA
+PJ014782	VLMFY 	C34H49N5O7S	671.3353	NA	PeJP	NA	NA
+PJ014783	PVDRW 	C31H45N9O8	671.3391	NA	PeJP	NA	NA
+PJ014784	GGGAPKW 	C31H45N9O8	671.3392	NA	PeJP	NA	NA
+PJ014785	APPTMR 	C28H49N9O8S	671.3425	NA	PeJP	NA	NA
+MJ089809	Tryptophyllin L 1.3 	C36H45N7O6	671.343132	NA	MeJP	NA	NA
+PJ014786	APLWW 	C36H45N7O6	671.3432	NA	PeJP	NA	NA
+PJ014787	CKKFF 	C33H49N7O6S	671.3465	NA	PeJP	NA	NA
+PJ014788	GPLKEE 	C29H49N7O11	671.349	NA	PeJP	NA	NA
+MJ089810	Polymastiamide B 	C37H53NO8S	671.349188	NA	MeJP	NA	NA
+PJ014789	VNHFR 	C30H45N11O7	671.3504	NA	PeJP	NA	NA
+PJ014790	TLLYY 	C34H49N5O9	671.353	NA	PeJP	NA	NA
+PJ014791	TKMHR 	C27H49N11O7S	671.3537	NA	PeJP	NA	NA
+PJ014792	GPTLER 	C28H49N9O10	671.3603	NA	PeJP	NA	NA
+PJ014793	GHFRR 	C29H45N13O6	671.3616	NA	PeJP	NA	NA
+PJ014794	PLKEW 	C33H49N7O8	671.3643	NA	PeJP	NA	NA
+PJ014795	SPPLKM 	C30H53N7O8S	671.3677	NA	PeJP	NA	NA
+PJ014796	VLFFF 	C38H49N5O6	671.3683	NA	PeJP	NA	NA
+PJ014797	GSPQKR 	C27H49N11O9	671.3715	NA	PeJP	NA	NA
+PJ014798	PTLRW 	C32H49N9O7	671.3755	NA	PeJP	NA	NA
+PJ014799	GPVLMR 	C29H53N9O7S	671.3789	NA	PeJP	NA	NA
+PJ014800	VNQRR 	C26H49N13O8	671.3827	NA	PeJP	NA	NA
+PJ014801	GGGGLRR 	C26H49N13O8	671.3828	NA	PeJP	NA	NA
+PJ014802	SPVLKE 	C30H53N7O10	671.3854	NA	PeJP	NA	NA
+PJ014803	PPFRR 	C31H49N11O6	671.3868	NA	PeJP	NA	NA
+PJ014804	PLMRR 	C28H53N11O6S	671.3901	NA	PeJP	NA	NA
+PJ014805	GQRRR 	C25H49N15O7	671.394	NA	PeJP	NA	NA
+PJ014806	SSPLLR 	C29H53N9O9	671.3966	NA	PeJP	NA	NA
+PJ014807	AALLER 	C29H53N9O9	671.3967	NA	PeJP	NA	NA
+PJ014808	LLLQW 	C34H53N7O7	671.4007	NA	PeJP	NA	NA
+PJ014809	APLLKM 	C31H57N7O7S	671.4041	NA	PeJP	NA	NA
+PJ014810	VLERR 	C28H53N11O8	671.4079	NA	PeJP	NA	NA
+PJ014811	VVLRW 	C33H53N9O6	671.4119	NA	PeJP	NA	NA
+3367	ACE inhibitor	GKKVLQ	671.419	celiac toxic	Inhouse_peptide	NA	peptide
+PJ014812	VNKRR 	C27H53N13O7	671.4191	NA	PeJP	NA	NA
+PJ014813	GLLLKE 	C31H57N7O9	671.4218	NA	PeJP	NA	NA
+26	Hemoglobin	GKKVLQ	671.422	celiac toxic	Inhouse_peptide	NA	peptide
+MJ089811	Nephilatoxin 10 	C32H53N11O5	671.423113	NA	MeJP	NA	NA
+PJ014814	GKRRR 	C26H53N15O6	671.4304	NA	PeJP	NA	NA
+PJ014815	GTLLLR 	C30H57N9O8	671.433	NA	PeJP	NA	NA
+PJ014816	GGGLLKK 	C30H57N9O8	671.4331	NA	PeJP	NA	NA
+PJ014817	LLLKW 	C35H57N7O6	671.4371	NA	PeJP	NA	NA
+PJ014818	LQKKR 	C29H57N11O7	671.4443	NA	PeJP	NA	NA
+C11610	Pepsinostreptin	C33H61N5O9	671.4469	NA	KEGG	NA	NA
+MJ089812	Pepstatins; Pepsidin A 	C33H61N5O9	671.446928	NA	MeJP	NA	NA
+MJ089813	Pepstatins; Pepstatin BU 	C33H61N5O9	671.446928	NA	MeJP	NA	NA
+PJ014819	SVLLLK 	C32H61N7O8	671.4582	NA	PeJP	NA	NA
+PJ014820	GVLKKK 	C31H61N9O7	671.4694	NA	PeJP	NA	NA
+MJ089814	4-Methyl-19(N)-aconitene-1,8,14,16,18-pentol, O1,O16,O18-Tri-Me, 8-hexadecanoyl, 14-Ac 	C40H65NO7	671.476103	NA	MeJP	NA	NA
+MJ089815	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyoctadecanoyl), 1-O-sulfate 	C37H69NO7S	671.479474	NA	MeJP	NA	NA
+PJ014821	LKKKR 	C30H61N11O6	671.4807	NA	PeJP	NA	NA
+HMDB08885	PE(14:1(9Z)/P-18:1(11Z))	C37H70NO7P	671.489014	NA	HMDB2010	NA	NA
+HMDB08886	PE(14:1(9Z)/P-18:1(9Z))	C37H70NO7P	671.489014	NA	HMDB2010	NA	NA
+HMDB11402	PE(P-18:1(11Z)/14:1(9Z))	C37H70NO7P	671.489014	NA	HMDB2010	NA	NA
+HMDB11435	PE(P-18:1(9Z)/14:1(9Z))	C37H70NO7P	671.489014	NA	HMDB2010	NA	NA
+MJ089816	2-Amino-4-octadecene-1,3-diol, N-Tetradecanoyl, 1-O-?-D-galactopyranoside 	C38H73NO8	671.533618	NA	MeJP	NA	NA
+HMDB12321	Galactosylceramide (d18:1/14:0)	C38H73NO8	671.53363	NA	HMDB2010	NA	NA
+MJ089817	4-Hydroxy-3-hydroxymethyl-2-butenoic acid; Nitrile, O'-octadecanoyl, O''-(14Z-eicosenoyl) 	C43H77NO4	671.585259	NA	MeJP	NA	NA
+MJ089818	Chartelline A; 3-Dechloro, 3-methoxy 	C21H16Br4N4O2	671.800676	NA	MeJP	NA	NA
+MJ089819	?-Actinorhodin 	C33H20O16	672.075134	NA	MeJP	NA	NA
+PJ014822	CCCDDD 	C21H32N6O13S3	672.119	NA	PeJP	NA	NA
+MJ089820	Piroxicillin 	C27H28N8O9S2	672.142065	NA	MeJP	NA	NA
+MJ089821	?-Actinorhodin 	C35H28O14	672.147905	NA	MeJP	NA	NA
+PJ014823	CCCCNQ 	C21H36N8O9S4	672.1488	NA	PeJP	NA	NA
+PJ014824	GGGACCCC 	C21H36N8O9S4	672.1489	NA	PeJP	NA	NA
+PJ014825	SCCDDM 	C22H36N6O12S3	672.1554	NA	PeJP	NA	NA
+PJ014826	GSSCCCN 	C21H36N8O11S3	672.1666	NA	PeJP	NA	NA
+MJ089822	3',4',5,5',6,7-Hexahydroxyisoflavone; 3',4',6-Tri-Me ether, 5-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C32H32O16	672.169034	NA	MeJP	NA	NA
+PJ014827	GCCEMM 	C23H40N6O9S4	672.174	NA	PeJP	NA	NA
+MJ089823	Ramosin 	C36H32O13	672.184291	NA	MeJP	NA	NA
+PJ014828	CCCCNK 	C22H40N8O8S4	672.1852	NA	PeJP	NA	NA
+PJ014829	GCCDEF 	C26H36N6O11S2	672.1884	NA	PeJP	NA	NA
+PJ014830	CCMMW 	C27H40N6O6S4	672.1892	NA	PeJP	NA	NA
+MJ089824	1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5-Tetra-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H36O18	672.190164	NA	MeJP	NA	NA
+MJ089825	Sucrose; 3'-O-(3,4-Dihydroxycinnamoyl), 2,3,4,6-tetra-Ac 	C29H36O18	672.190164	NA	MeJP	NA	NA
+PJ014831	SSCDMM 	C23H40N6O11S3	672.1917	NA	PeJP	NA	NA
+PJ014832	ACCCHH 	C24H36N10O7S3	672.1931	NA	PeJP	NA	NA
+PJ014833	GDDDDH 	C24H32N8O15	672.1988	NA	PeJP	NA	NA
+PJ014834	GCCNNY 	C25H36N8O10S2	672.1996	NA	PeJP	NA	NA
+PJ014835	CCDFW 	C30H36N6O8S2	672.2036	NA	PeJP	NA	NA
+MJ089826	2-Hydroxybenzyl 2-hydroxybenzoate; 2-O-(6-O-Benzoyl-?-D-glucopyranoside), 2'-O-?-D-glucopyranoside 	C33H36O15	672.20542	NA	MeJP	NA	NA
+PJ014836	GSCDEY 	C26H36N6O13S	672.2061	NA	PeJP	NA	NA
+PJ014837	GPCCMY 	C27H40N6O8S3	672.207	NA	PeJP	NA	NA
+PJ014838	GTCMMM 	C24H44N6O8S4	672.2104	NA	PeJP	NA	NA
+PJ014839	SSCCHH 	C24H36N10O9S2	672.2108	NA	PeJP	NA	NA
+PJ014840	SPCDDH 	C25H36N8O12S	672.2174	NA	PeJP	NA	NA
+PJ014841	SCDYW 	C30H36N6O10S	672.2214	NA	PeJP	NA	NA
+PJ014842	SSSDDY 	C26H36N6O15	672.2239	NA	PeJP	NA	NA
+PJ014843	NDMMY 	C27H40N6O10S2	672.2248	NA	PeJP	NA	NA
+PJ014844	SSSMMM 	C24H44N6O10S3	672.2281	NA	PeJP	NA	NA
+PJ014845	GCNNEH 	C24H36N10O11S	672.2286	NA	PeJP	NA	NA
+MJ089827	Ergost-22-ene-2,3,6-triol, Tri-O-sulfate 	C28H48O12S3	672.230789	NA	MeJP	NA	NA
+MJ089828	Ergost-25-ene-2,3,6-triol, Tri-O-sulfate 	C28H48O12S3	672.230789	NA	MeJP	NA	NA
+PJ014846	GSDEEH 	C25H36N8O14	672.2351	NA	PeJP	NA	NA
+PJ014847	CCERY 	C26H40N8O9S2	672.236	NA	PeJP	NA	NA
+PJ014848	NDDFY 	C30H36N6O12	672.2391	NA	PeJP	NA	NA
+PJ014849	GGDDFY 	C30H36N6O12	672.2392	NA	PeJP	NA	NA
+PJ014850	ACMYW 	C31H40N6O7S2	672.24	NA	PeJP	NA	NA
+MJ089829	1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, cinnamoyl, 1,9,a,b,c-penta-Ac 	C34H40O14	672.241805	NA	MeJP	NA	NA
+MJ089830	Antibiotic MA 144 U9 	C34H40O14	672.241805	NA	MeJP	NA	NA
+MJ089831	Myricanol; 5-O-[(3,4,5-Trihydroxybenzoyl)-(?6)-?-D-glucopyranoside] 	C34H40O14	672.241805	NA	MeJP	NA	NA
+MJ089832	Perforin A 	C34H40O14	672.241805	NA	MeJP	NA	NA
+PJ014851	GSSEMY 	C27H40N6O12S	672.2425	NA	PeJP	NA	NA
+PJ014852	NMMMF 	C28H44N6O7S3	672.2434	NA	PeJP	NA	NA
+PJ014853	CNNHW 	C28H36N10O8S	672.2438	NA	PeJP	NA	NA
+PJ014854	GGCNHW 	C28H36N10O8S	672.2439	NA	PeJP	NA	NA
+PJ014855	SSNNDH 	C24H36N10O13	672.2464	NA	PeJP	NA	NA
+PJ014856	SDEHW 	C29H36N8O11	672.2504	NA	PeJP	NA	NA
+MJ089833	Cortisuzol 	C37H40N2O8S	672.250536	NA	MeJP	NA	NA
+PJ014857	PCMHW 	C30H40N8O6S2	672.2513	NA	PeJP	NA	NA
+PJ014858	QEEMH 	C26H40N8O11S	672.2538	NA	PeJP	NA	NA
+MJ089834	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 1,2,6-Tribenzoyl, 9-Ac 	C38H40O11	672.257062	NA	MeJP	NA	NA
+MJ089835	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 2,8,9-Tribenzoyl, 1-Ac 	C38H40O11	672.257062	NA	MeJP	NA	NA
+MJ089836	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Furancarbonyl), 9-benzoyl, 8-cinnamoyl,1-Ac 	C38H40O11	672.257062	NA	MeJP	NA	NA
+PJ014859	SSMYW 	C31H40N6O9S	672.2578	NA	PeJP	NA	NA
+MJ089837	4,4''-Bi(N-4-hydroxycinnamoylserotonin), 3'-Methoxy 	C39H36N4O7	672.258399	NA	MeJP	NA	NA
+PJ014860	SSSTEY 	C27H40N6O14	672.2603	NA	PeJP	NA	NA
+PJ014861	TQMMY 	C28H44N6O9S2	672.2611	NA	PeJP	NA	NA
+PJ014862	PPPCEM 	C28H44N6O9S2	672.2612	NA	PeJP	NA	NA
+MJ089838	Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C31H44O16	672.262935	NA	MeJP	NA	NA
+MJ089839	Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H44O16	672.262935	NA	MeJP	NA	NA
+MJ089840	Nagilactone A; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H44O16	672.262935	NA	MeJP	NA	NA
+PJ014863	DDMHR 	C25H40N10O10S	672.265	NA	PeJP	NA	NA
+MJ089841	Thapoxepine A; Homologue (R = CH2CH3) 	C37H40N2O10	672.268295	NA	MeJP	NA	NA
+MJ089842	Thapsakin B; 3,4-Diepimer, 10-Ac 	C37H40N2O10	672.268295	NA	MeJP	NA	NA
+PJ014864	AEMHW 	C30H40N8O8S	672.269	NA	PeJP	NA	NA
+PJ014865	GTTEEH 	C26H40N8O13	672.2715	NA	PeJP	NA	NA
+MJ089843	Kamalachalcone A 	C42H40O8	672.272318	NA	MeJP	NA	NA
+PJ014866	TCMRY 	C27H44N8O8S2	672.2724	NA	PeJP	NA	NA
+PJ014867	DQHHH 	C27H36N12O9	672.2728	NA	PeJP	NA	NA
+PJ014868	NEHHH 	C27H36N12O9	672.2729	NA	PeJP	NA	NA
+PJ014869	ACFFW 	C35H40N6O6S	672.273	NA	PeJP	NA	NA
+PJ014870	AQEYY 	C31H40N6O11	672.2755	NA	PeJP	NA	NA
+PJ014871	GSCNHR 	C24H40N12O9S	672.2762	NA	PeJP	NA	NA
+MJ089844	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4,7,9-tetra-Ac 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089845	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9-Benzoyl, 2,4,7,13-tetra-Ac 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089846	3,5,6,14,15,17-Hexahydroxy-9-segetanone, 3-Benzoyl, 5-(2-hydroxyacetyl), 6,14,17-tri-Ac 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089847	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylpentanoyl), 3-O-[4-hydroxyphenylacetyl-(?4)-?-D-glucopyranoside] 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089848	3,8-Dihydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 8-(2-Hydroxy-3-methylpentanoyl), 3-O-[4-hydroxyphenylacetyl-(?6)-?-D-glucopyranoside] 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089849	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,7,9,13-tetra-Ac 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089850	Hispidin B; 15-Detigloyl, 15-Ac 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089851	Rohituka substance 7 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089852	Trichilia lactone D4; 1,2-Dihydro, 1?-acetoxy 	C35H44O13	672.278191	NA	MeJP	NA	NA
+MJ089853	Utilin B 	C35H44O13	672.278191	NA	MeJP	NA	NA
+PJ014872	GTTTMY 	C28H44N6O11S	672.2789	NA	PeJP	NA	NA
+PJ014873	SSSQQH 	C25H40N10O12	672.2827	NA	PeJP	NA	NA
+PJ014874	GPNDDR 	C25H40N10O12	672.2828	NA	PeJP	NA	NA
+PJ014875	TTEHW 	C30H40N8O10	672.2868	NA	PeJP	NA	NA
+PJ014876	GHHHW 	C31H36N12O6	672.2881	NA	PeJP	NA	NA
+PJ014877	KEEMH 	C27H44N8O10S	672.2901	NA	PeJP	NA	NA
+PJ014878	GGGGPPTM 	C27H44N8O10S	672.2902	NA	PeJP	NA	NA
+PJ014879	AAYYW 	C35H40N6O8	672.2908	NA	PeJP	NA	NA
+PJ014880	PCKYY 	C32H44N6O8S	672.2941	NA	PeJP	NA	NA
+PJ014881	GGVMFY 	C32H44N6O8S	672.2942	NA	PeJP	NA	NA
+PJ014882	STTTTY 	C28H44N6O13	672.2966	NA	PeJP	NA	NA
+PJ014883	GPLEEE 	C28H44N6O13	672.2967	NA	PeJP	NA	NA
+PJ014884	TKMMY 	C29H48N6O8S2	672.2975	NA	PeJP	NA	NA
+PJ014885	NQQHF 	C29H40N10O9	672.298	NA	PeJP	NA	NA
+MJ089854	Saperconazole 	C35H38F2N8O4	672.298408	NA	MeJP	NA	NA
+PJ014886	TEMHR 	C26H44N10O9S	672.3014	NA	PeJP	NA	NA
+PJ014887	GPQWW 	C34H40N8O7	672.302	NA	PeJP	NA	NA
+MJ089855	Aglaine B; 10-Epimer, 10-Ac 	C38H44N2O9	672.304681	NA	MeJP	NA	NA
+MJ089856	Grandiamide A 	C38H44N2O9	672.304681	NA	MeJP	NA	NA
+MJ089857	Vateamine; N2'-Oxide (?-) 	C38H44N2O9	672.304681	NA	MeJP	NA	NA
+PJ014888	SLMHW 	C31H44N8O7S	672.3054	NA	PeJP	NA	NA
+PJ014889	SSTLEH 	C27H44N8O12	672.3079	NA	PeJP	NA	NA
+PJ014890	AALMMH 	C28H48N8O7S2	672.3088	NA	PeJP	NA	NA
+PJ014891	DKHHH 	C28H40N12O8	672.3092	NA	PeJP	NA	NA
+7865	peptide from Alaska pollack frame protein (Theragra chalcogramma)	LPHSGY	672.31	anticancer	Inhouse_peptide	NA	peptide
+MJ089858	Lactoferroxin A 	C32H44N6O10	672.311891	NA	MeJP	NA	NA
+PJ014892	PLEEW 	C32H44N6O10	672.3119	NA	PeJP	NA	NA
+PJ014893	PPHHW 	C33H40N10O6	672.3133	NA	PeJP	NA	NA
+MJ089859	Heterotropatrione 	C36H48O12	672.314577	NA	MeJP	NA	NA
+PJ014894	SPPLEM 	C29H48N6O10S	672.3153	NA	PeJP	NA	NA
+MJ089860	1-[(Diphenylamino)carbonyl]-4-[[pentyl[[2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]carbonyl]-2-piperazinecarboxylic acid 	C38H40N8O4	672.317251	NA	MeJP	NA	NA
+MJ089861	22,23-Epoxycholest-9(11)-ene-3,6-diol, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C33H52O12S	672.317947	NA	MeJP	NA	NA
+PJ014895	GSPQER 	C26H44N10O11	672.3191	NA	PeJP	NA	NA
+PJ014896	GGGGGGALQ 	C26H44N10O11	672.3192	NA	PeJP	NA	NA
+PJ014897	VMMHR 	C27H48N10O6S2	672.32	NA	PeJP	NA	NA
+PJ014898	SHHHR 	C27H40N14O7	672.3205	NA	PeJP	NA	NA
+PJ014899	PNKEW 	C31H44N8O9	672.3231	NA	PeJP	NA	NA
+PJ014900	GGPKEW 	C31H44N8O9	672.3232	NA	PeJP	NA	NA
+3720	NA	WWPKG	672.325	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ089862	Caribaeoside 	C35H48N2O11	672.32581	NA	MeJP	NA	NA
+7029	synthetic peptide from alpha-gliadin	PSSQVSFQQPLQ	672.326	MH2+	Inhouse_peptide	NA	peptide
+PJ014901	ATTLMH 	C28H48N8O9S	672.3265	NA	PeJP	NA	NA
+PJ014902	VNFFF 	C36H44N6O7	672.3272	NA	PeJP	NA	NA
+MJ089863	Grandidone A 	C40H48O9	672.329833	NA	MeJP	NA	NA
+MJ089864	Grandidone B 	C40H48O9	672.329833	NA	MeJP	NA	NA
+PJ014903	NQQQR 	C25H44N12O10	672.3303	NA	PeJP	NA	NA
+PJ014904	GGQQQR 	C25H44N12O10	672.3304	NA	PeJP	NA	NA
+PJ014905	CLKFY 	C33H48N6O7S	672.3305	NA	PeJP	NA	NA
+PJ014906	PPPCLF 	C33H48N6O7S	672.3306	NA	PeJP	NA	NA
+MJ089865	Flexicorine 	C41H44N4O5	672.33117	NA	MeJP	NA	NA
+PJ014907	SPVLEE 	C29H48N6O12	672.3331	NA	PeJP	NA	NA
+PJ014908	PPVVMM 	C30H52N6O7S2	672.3339	NA	PeJP	NA	NA
+PJ014909	SPQRW 	C30H44N10O8	672.3344	NA	PeJP	NA	NA
+PJ014910	AAPQMR 	C27H48N10O8S	672.3378	NA	PeJP	NA	NA
+PJ014911	GPKWW 	C35H44N8O6	672.3384	NA	PeJP	NA	NA
+PJ014912	NNNRR 	C24H44N14O9	672.3416	NA	PeJP	NA	NA
+PJ014913	TTTTLH 	C28H48N8O11	672.3443	NA	PeJP	NA	NA
+PJ014914	SLKYY 	C33H48N6O9	672.3483	NA	PeJP	NA	NA
+PJ014915	PNMRR 	C26H48N12O7S	672.349	NA	PeJP	NA	NA
+MJ089866	Xyloccensin A; 14,15-Dihydro 	C37H52O11	672.350962	NA	MeJP	NA	NA
+PJ014916	APLLEM 	C30H52N6O9S	672.3517	NA	PeJP	NA	NA
+MJ089867	Streptothricin; Streptothricin E, N?-Ac 	C27H48N10O10	672.355487	NA	MeJP	NA	NA
+PJ014917	GSPKER 	C27H48N10O10	672.3555	NA	PeJP	NA	NA
+PJ014918	PDKKW 	C32H48N8O8	672.3595	NA	PeJP	NA	NA
+PJ014919	GGGVVVW 	C32H48N8O8	672.3596	NA	PeJP	NA	NA
+PJ014920	GPLQKM 	C29H52N8O8S	672.3629	NA	PeJP	NA	NA
+PJ014921	VNERR 	C26H48N12O9	672.3667	NA	PeJP	NA	NA
+PJ014922	GGVERR 	C26H48N12O9	672.3668	NA	PeJP	NA	NA
+MJ089868	Alstonisidine 	C42H48N4O4	672.367556	NA	MeJP	NA	NA
+MJ089869	Des-N1a-methylanhydromacralstonine 	C42H48N4O4	672.367556	NA	MeJP	NA	NA
+MJ089870	Isovoafoline 	C42H48N4O4	672.367556	NA	MeJP	NA	NA
+MJ089871	Macrocarpamine; 10-Methoxy 	C42H48N4O4	672.367556	NA	MeJP	NA	NA
+MJ089872	Voafolidine; 2-Deoxy 	C42H48N4O4	672.367556	NA	MeJP	NA	NA
+3508	ACE inhibitor (b-Lg 9-14)	GLDIQK	672.3679	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ014923	GLLLEE 	C30H52N6O11	672.3694	NA	PeJP	NA	NA
+MJ089873	Adociasulfate 10 	C38H56O8S	672.369589	NA	MeJP	NA	NA
+PJ014924	SPKRW 	C31H48N10O7	672.3708	NA	PeJP	NA	NA
+PJ014925	AAPKMR 	C28H52N10O7S	672.3742	NA	PeJP	NA	NA
+PJ014926	GERRR 	C25H48N14O8	672.378	NA	PeJP	NA	NA
+PJ014927	APTKKE 	C29H52N8O10	672.3807	NA	PeJP	NA	NA
+PJ014928	GVRRW 	C30H48N12O6	672.382	NA	PeJP	NA	NA
+PJ014929	LLLEW 	C34H52N6O8	672.3847	NA	PeJP	NA	NA
+MJ089874	22,23-Dihydroxymilbemycin ?1; 23-O-(2,4-Dimethylpentanoyl) 	C38H56O10	672.387348	NA	MeJP	NA	NA
+MJ089875	22,23-Dihydroxymilbemycin ?1; 23-O-(2-Methylhexanoyl) 	C38H56O10	672.387348	NA	MeJP	NA	NA
+MJ089876	Kirkinine 	C38H56O10	672.387348	NA	MeJP	NA	NA
+PJ014930	SPLLLM 	C31H56N6O8S	672.3881	NA	PeJP	NA	NA
+PJ014931	LQKER 	C28H52N10O9	672.3919	NA	PeJP	NA	NA
+PJ014932	RRRW 	C29H48N14O5	672.3932	NA	PeJP	NA	NA
+PJ014933	VLQKW 	C33H52N8O7	672.3959	NA	PeJP	NA	NA
+PJ014934	GPLKKM 	C30H56N8O7S	672.3993	NA	PeJP	NA	NA
+PJ014935	VDKRR 	C27H52N12O8	672.4031	NA	PeJP	NA	NA
+PJ014936	SVLLLE 	C31H56N6O10	672.4058	NA	PeJP	NA	NA
+PJ014937	ALKRW 	C32H52N10O6	672.4072	NA	PeJP	NA	NA
+PJ014938	SVRRR 	C26H52N14O7	672.4144	NA	PeJP	NA	NA
+PJ014939	SPTLKK 	C30H56N8O9	672.417	NA	PeJP	NA	NA
+PJ014940	GVLKKE 	C30H56N8O9	672.4171	NA	PeJP	NA	NA
+PJ014941	APLLLF 	C35H56N6O7	672.4211	NA	PeJP	NA	NA
+PJ014942	ALLLLM 	C32H60N6O7S	672.4245	NA	PeJP	NA	NA
+PJ014943	LKKER 	C29H56N10O8	672.4283	NA	PeJP	NA	NA
+PJ014944	VLKKW 	C34H56N8O6	672.4323	NA	PeJP	NA	NA
+MJ089877	Bacchalejin 1 	C43H60O6	672.438989	NA	MeJP	NA	NA
+PJ014945	TLKRR 	C28H56N12O7	672.4395	NA	PeJP	NA	NA
+PJ014946	TTLLLL 	C32H60N6O9	672.4422	NA	PeJP	NA	NA
+MJ089878	14,17-Epoxy-3,12,20,24,25-malabaricanepentol, 3-O-?-D-Glucopyranoside 	C36H64O11	672.444862	NA	MeJP	NA	NA
+MJ089879	20,24-Epoxy-3,12,14,17,25-malabaricanepentol, 3-O-?-D-Glucopyranoside 	C36H64O11	672.444862	NA	MeJP	NA	NA
+MJ089880	Dammarane-3,6,12,20,24,25-hexol, 6-O-?-D-Glucopyranoside 	C36H64O11	672.444862	NA	MeJP	NA	NA
+MJ089881	Stigmastane-3,6,8,15,16,29-hexol, 29-[5-O-Methyl-?-D-galactofuranoside] 	C36H64O11	672.444862	NA	MeJP	NA	NA
+PJ014947	ATLLKK 	C31H60N8O8	672.4534	NA	PeJP	NA	NA
+MJ089882	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 12,13-Didecanoyl 	C40H64O8	672.460119	NA	MeJP	NA	NA
+PJ014948	AAKKKK 	C30H60N10O7	672.4647	NA	PeJP	NA	NA
+MetaCyc04039	1-18:1-2-trans-16:1-sn-glycerol-3-phosphate []	C37H69O8P1	672.473006	NA	metacyc	NA	NA
+HMDB07860	PA(16:0/18:2(9Z,12Z))	C37H69O8P	672.473022	NA	HMDB2010	NA	NA
+MJ089883	Annoheptocin A 	C37H68O10	672.481248	NA	MeJP	NA	NA
+MJ089884	Donnaienin D 	C37H68O10	672.481248	NA	MeJP	NA	NA
+MJ089885	1(19),7,10,12-Xenecatetraene-6,14,17,18-tetrol, 17-Eicosanoyl, 18-Ac 	C42H72O6	672.53289	NA	MeJP	NA	NA
+MJ089886	Crasserides; Tetradecanoylcrasseride 	C39H76O8	672.554019	NA	MeJP	NA	NA
+HMDB05218	DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C43H76O5	672.56927	http://www.hmdb.ca/metabolites/HMDB05218	HMDB	NA	NA
+HMDB05218	DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	C43H76O5	672.56927	HMDB05218	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07176	DG(18:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07197	DG(18:1(11Z)/20:3(5Z,8Z,11Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07262	DG(18:2(9Z,12Z)/22:2(13Z,16Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07290	DG(18:3(6Z,9Z,12Z)/22:1(13Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07319	DG(18:3(9Z,12Z,15Z)/22:1(13Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07347	DG(18:4(6Z,9Z,12Z,15Z)/22:0/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07373	DG(20:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07374	DG(20:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07400	DG(20:1(11Z)/20:3(5Z,8Z,11Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07401	DG(20:1(11Z)/20:3(8Z,11Z,14Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07428	DG(20:2(11Z,14Z)/20:2(11Z,14Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07456	DG(20:3(5Z,8Z,11Z)/20:1(11Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07485	DG(20:3(8Z,11Z,14Z)/20:1(11Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07513	DG(20:4(5Z,8Z,11Z,14Z)/20:0/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07542	DG(20:4(8Z,11Z,14Z,17Z)/20:0/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07599	DG(22:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07626	DG(22:1(13Z)/18:3(6Z,9Z,12Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07627	DG(22:1(13Z)/18:3(9Z,12Z,15Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07654	DG(22:2(13Z,16Z)/18:2(9Z,12Z)/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB07680	DG(22:4(7Z,10Z,13Z,16Z)/18:0/0:0)	C43H76O5	672.569275	NA	HMDB2010	NA	NA
+HMDB06726	Cholesteryl arachidonic acid	C47H76O2	672.58453	http://www.hmdb.ca/metabolites/HMDB06726	HMDB	NA	NA
+HMDB06726	Cholesteryl arachidonic acid	C47H76O2	672.58453	HMDB06726	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06726	CE(20:4(5Z,8Z,11Z,14Z)	C47H76O2	672.584534	NA	HMDB2010	NA	NA
+HMDB10371	CE(20:4(8Z,11Z,14Z,17Z))	C47H76O2	672.584534	NA	HMDB2010	NA	NA
+MJ089887	Iolixanic acid 	C15H18I3NO5	672.831902	NA	MeJP	NA	NA
+MJ089888	Iopronic acid 	C15H18I3NO5	672.831902	NA	MeJP	NA	NA
+PJ014949	CCCCNE 	C21H35N7O10S4	673.1329	NA	PeJP	NA	NA
+PJ014950	GCCCCW 	C25H35N7O7S4	673.1481	NA	PeJP	NA	NA
+PJ014951	GSSCCCD 	C21H35N7O12S3	673.1506	NA	PeJP	NA	NA
+PJ014952	SCCCQM 	C22H39N7O9S4	673.1692	NA	PeJP	NA	NA
+PJ014953	SCCCCR 	C21H39N9O8S4	673.1805	NA	PeJP	NA	NA
+PJ014954	GCCNDY 	C25H35N7O11S2	673.1836	NA	PeJP	NA	NA
+PJ014955	GSSSCCM 	C22H39N7O11S3	673.187	NA	PeJP	NA	NA
+PJ014956	GCCNMF 	C26H39N7O8S3	673.2023	NA	PeJP	NA	NA
+PJ014957	SSSSTCC 	C22H39N7O13S2	673.2047	NA	PeJP	NA	NA
+PJ014958	SCCCKM 	C23H43N7O8S4	673.2056	NA	PeJP	NA	NA
+PJ014959	DDMMY 	C27H39N5O11S2	673.2088	NA	PeJP	NA	NA
+MJ089889	Auriside B 	C30H44BrNO11	673.209773	NA	MeJP	NA	NA
+PJ014960	GCNDEH 	C24H35N9O12S	673.2126	NA	PeJP	NA	NA
+PJ014961	MMMMM 	C25H47N5O6S5	673.213	NA	PeJP	NA	NA
+PJ014962	GSCNMY 	C26H39N7O10S2	673.22	NA	PeJP	NA	NA
+PJ014963	DDDFY 	C30H35N5O13	673.2232	NA	PeJP	NA	NA
+PJ014964	DMMMF 	C28H43N5O8S3	673.2274	NA	PeJP	NA	NA
+PJ014965	CNDHW 	C28H35N9O9S	673.2279	NA	PeJP	NA	NA
+PJ014966	SSNDDH 	C24H35N9O14	673.2304	NA	PeJP	NA	NA
+PJ014967	SPCCQH 	C25H39N9O9S2	673.2312	NA	PeJP	NA	NA
+MJ089890	Detorubicin 	C33H39NO14	673.237054	NA	MeJP	NA	NA
+PJ014968	SSSCQY 	C26H39N7O12S	673.2378	NA	PeJP	NA	NA
+PJ014969	ACCCKF 	C27H43N7O7S3	673.2386	NA	PeJP	NA	NA
+PJ014970	PCEYY 	C31H39N5O10S	673.2418	NA	PeJP	NA	NA
+PJ014971	TEMMY 	C28H43N5O10S2	673.2452	NA	PeJP	NA	NA
+PJ014972	CMHHF 	C29H39N9O6S2	673.2465	NA	PeJP	NA	NA
+PJ014973	GSNEMH 	C25H39N9O11S	673.249	NA	PeJP	NA	NA
+MJ089891	Nifalatide 	C30H39N7O9S	673.252996	NA	MeJP	NA	NA
+PJ014974	GPPCDW 	C30H39N7O9S	673.253	NA	PeJP	NA	NA
+PJ014975	GSSSSSY 	C26H39N7O14	673.2555	NA	PeJP	NA	NA
+PJ014976	GTCCKY 	C27H43N7O9S2	673.2564	NA	PeJP	NA	NA
+PJ014977	DEHHH 	C27H35N11O10	673.2569	NA	PeJP	NA	NA
+PJ014978	AEEYY 	C31H39N5O12	673.2595	NA	PeJP	NA	NA
+PJ014979	GSCDHR 	C24H39N11O10S	673.2602	NA	PeJP	NA	NA
+MJ089892	Ustiloxin A 	C28H43N5O12S	673.262892	NA	MeJP	NA	NA
+C08442	Ustiloxin	C28H43N5O12S	673.2629	NA	KEGG	NA	NA
+PJ014980	VMMMY 	C29H47N5O7S3	673.2638	NA	PeJP	NA	NA
+PJ014981	SNMHW 	C29H39N9O8S	673.2642	NA	PeJP	NA	NA
+PJ014982	GGSMHW 	C29H39N9O8S	673.2643	NA	PeJP	NA	NA
+PJ014983	SSSQEH 	C25H39N9O13	673.2667	NA	PeJP	NA	NA
+PJ014984	GPDDDR 	C25H39N9O13	673.2668	NA	PeJP	NA	NA
+PJ014985	QQMMH 	C26H43N9O8S2	673.2676	NA	PeJP	NA	NA
+PJ014986	PNEEW 	C30H39N7O11	673.2708	NA	PeJP	NA	NA
+MJ089893	Baumycin A1 	C34H43NO13	673.27344	NA	MeJP	NA	NA
+MJ089894	Betaclamycin M; 4B-O-Deglycosyl 	C34H43NO13	673.27344	NA	MeJP	NA	NA
+PJ014987	SSSCKY 	C27H43N7O11S	673.2741	NA	PeJP	NA	NA
+PJ014988	SPPNEM 	C27H43N7O11S	673.2742	NA	PeJP	NA	NA
+MJ089895	Vibriobactin; 3',3''-Dideoxy 	C35H39N5O9	673.274777	NA	MeJP	NA	NA
+PJ014989	GNNNQQ 	C24H39N11O12	673.278	NA	PeJP	NA	NA
+PJ014990	PTMYY 	C32H43N5O9S	673.2782	NA	PeJP	NA	NA
+PJ014991	CQMHR 	C25H43N11O7S2	673.2789	NA	PeJP	NA	NA
+PJ014992	GSSTHW 	C29H39N9O10	673.282	NA	PeJP	NA	NA
+PJ014993	SPPCDR 	C26H43N9O10S	673.2854	NA	PeJP	NA	NA
+PJ014994	GPEWW 	C34H39N7O8	673.286	NA	PeJP	NA	NA
+PJ014995	GSPPMW 	C31H43N7O8S	673.2894	NA	PeJP	NA	NA
+PJ014996	CCHRR 	C24H43N13O6S2	673.2901	NA	PeJP	NA	NA
+PJ014997	GPDKEE 	C27H43N7O13	673.2919	NA	PeJP	NA	NA
+PJ014998	APPQMM 	C28H47N7O8S2	673.2928	NA	PeJP	NA	NA
+PJ014999	SLEYY 	C32H43N5O11	673.2959	NA	PeJP	NA	NA
+PJ015000	GSSMHR 	C25H43N11O9S	673.2966	NA	PeJP	NA	NA
+PJ015001	VMMFF 	C33H47N5O6S2	673.2968	NA	PeJP	NA	NA
+PJ015002	GQHFW 	C33H39N9O7	673.2973	NA	PeJP	NA	NA
+C18071	N1,N5,N10-Triferuloyl spermidine	C37H43N3O9	673.2999	NA	KEGG	NA	NA
+PJ015003	TCKHW 	C30H43N9O7S	673.3006	NA	PeJP	NA	NA
+PJ015004	PWWW 	C38H39N7O5	673.3013	NA	PeJP	NA	NA
+PJ015005	SSSKEH 	C26H43N9O12	673.3031	NA	PeJP	NA	NA
+PJ015006	GSPEER 	C26H43N9O12	673.3032	NA	PeJP	NA	NA
+PJ015007	APPCMR 	C27H47N9O7S2	673.304	NA	PeJP	NA	NA
+PJ015008	PDKEW 	C31H43N7O10	673.3072	NA	PeJP	NA	NA
+PJ015009	PHHHF 	C32H39N11O6	673.3085	NA	PeJP	NA	NA
+PJ015010	GPLQEM 	C28H47N7O10S	673.3105	NA	PeJP	NA	NA
+PJ015011	GGPVVDM 	C28H47N7O10S	673.3106	NA	PeJP	NA	NA
+PJ015012	PTFFY 	C36H43N5O8	673.3112	NA	PeJP	NA	NA
+PJ015013	LMHHH 	C29H43N11O6S	673.3119	NA	PeJP	NA	NA
+PJ015014	SSSTHR 	C25H43N11O11	673.3144	NA	PeJP	NA	NA
+C13167	Dihydro-alpha-ergocryptine mesylate	C32H43N5O5	673.3145	NA	KEGG	NA	NA
+C14054	Dihydro-beta-ergocryptine mesylate	C32H43N5O5	673.3145	NA	KEGG	NA	NA
+C14055	Dihydroergotoxine mesylate	C28H34N5O5R	673.3145	NA	KEGG	NA	NA
+PJ015015	CLLYY 	C33H47N5O8S	673.3145	NA	PeJP	NA	NA
+PJ015016	VVMYY 	C33H47N5O8S	673.3146	NA	PeJP	NA	NA
+PJ015017	CKMHR 	C26H47N11O6S2	673.3152	NA	PeJP	NA	NA
+PJ015018	SPERW 	C30H43N9O9	673.3184	NA	PeJP	NA	NA
+PJ015019	AAPEMR 	C27H47N9O9S	673.3218	NA	PeJP	NA	NA
+PJ015020	SPVWW 	C35H43N7O7	673.3224	NA	PeJP	NA	NA
+PJ015021	NNDRR 	C24H43N13O10	673.3256	NA	PeJP	NA	NA
+PJ015022	PLQMW 	C32H47N7O7S	673.3258	NA	PeJP	NA	NA
+MJ089896	N-[(Phenylmethoxy)carbonyl]-L-histidyl-N-(2-methyl-2-phenylpropyl)-N2-[[4-(phenylmethoxy)phenyl]methyl]glycinamide 	C40H43N5O5	673.326419	NA	MeJP	NA	NA
+PJ015023	APTKEE 	C28H47N7O12	673.3283	NA	PeJP	NA	NA
+PJ015024	APPKMM 	C29H51N7O7S2	673.3292	NA	PeJP	NA	NA
+PJ015025	GQQRW 	C29H43N11O8	673.3296	NA	PeJP	NA	NA
+PJ015026	GGGAARW 	C29H43N11O8	673.3297	NA	PeJP	NA	NA
+PJ015027	PDMRR 	C26H47N11O8S	673.333	NA	PeJP	NA	NA
+PJ015028	GKHFW 	C34H43N9O6	673.3337	NA	PeJP	NA	NA
+PJ015029	PCLRW 	C31H47N9O6S	673.337	NA	PeJP	NA	NA
+PJ015030	LQEER 	C27H47N9O11	673.3395	NA	PeJP	NA	NA
+PJ015031	GGGGALDK 	C27H47N9O11	673.3396	NA	PeJP	NA	NA
+PJ015032	KKMMH 	C28H51N9O6S2	673.3404	NA	PeJP	NA	NA
+PJ015033	PQHHR 	C28H43N13O7	673.3409	NA	PeJP	NA	NA
+PJ015034	LLNEW 	C32H47N7O9	673.3435	NA	PeJP	NA	NA
+PJ015035	VLQEW 	C32H47N7O9	673.3436	NA	PeJP	NA	NA
+C06544	Veratridine	C36H51NO11	673.3462	NA	KEGG	NA	NA
+C08664	Bikhaconitine	C36H51NO11	673.3462	NA	KEGG	NA	NA
+MJ089897	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8,N-Di-Et, O1,O6,O16,O18-tetra-Me, 14-benzoyl, 8-Ac 	C36H51NO11	673.346211	NA	MeJP	NA	NA
+MJ089898	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(3,4-dimethoxybenzoyl), 8-Ac 	C36H51NO11	673.346211	NA	MeJP	NA	NA
+MJ089899	Germine; O15-(3,4-Dimethoxybenzoyl) 	C36H51NO11	673.346211	NA	MeJP	NA	NA
+MJ089900	Veracevine; O3-(3,4-Dimethoxybenzoyl) 	C36H51NO11	673.346211	NA	MeJP	NA	NA
+PJ015036	GPLKEM 	C29H51N7O9S	673.3469	NA	PeJP	NA	NA
+PJ015037	VVFFY 	C37H47N5O7	673.3476	NA	PeJP	NA	NA
+PJ015038	VDERR 	C26H47N11O10	673.3508	NA	PeJP	NA	NA
+PJ015039	ALERW 	C31H47N9O8	673.3548	NA	PeJP	NA	NA
+2674	substance P	RPKPQQFFGLM~	673.3562	MH2+	Inhouse_peptide	NA	peptide
+PJ015040	GPTLMR 	C28H51N9O8S	673.3582	NA	PeJP	NA	NA
+PJ015041	GLLWW 	C36H47N7O6	673.3588	NA	PeJP	NA	NA
+PJ015042	SQQRR 	C25H47N13O9	673.362	NA	PeJP	NA	NA
+PJ015043	PLKMW 	C33H51N7O6S	673.3622	NA	PeJP	NA	NA
+HMDB01897	Substance P	C63H98N18O13S	673.3640745	MH2+	Inhouse_peptide	NA	peptide
+PJ015044	GVLKEE 	C29H51N7O11	673.3647	NA	PeJP	NA	NA
+PJ015045	GQKRW 	C30H47N11O7	673.366	NA	PeJP	NA	NA
+3735	NA	RKQDK	673.3739	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ015046	LKEER 	C28H51N9O10	673.3759	NA	PeJP	NA	NA
+PJ015047	PKHHR 	C29H47N13O6	673.3773	NA	PeJP	NA	NA
+PJ015048	VLKEW 	C33H51N7O8	673.3799	NA	PeJP	NA	NA
+PJ015049	GGAPLLF 	C33H51N7O8	673.38	NA	PeJP	NA	NA
+MJ089901	Antibiotic A 83016F 	C37H55NO10	673.382596	NA	MeJP	NA	NA
+MJ089902	Germine; O3,O15-Bis(2-methyl-2-butenoyl) 	C37H55NO10	673.382596	NA	MeJP	NA	NA
+PJ015050	SPVLKM 	C30H55N7O8S	673.3833	NA	PeJP	NA	NA
+PJ015051	TLERR 	C27H51N11O9	673.3871	NA	PeJP	NA	NA
+PJ015052	NKKER 	C27H51N11O9	673.3872	NA	PeJP	NA	NA
+PJ015053	SLLRW 	C32H51N9O7	673.3912	NA	PeJP	NA	NA
+PJ015054	AALLMR 	C29H55N9O7S	673.3946	NA	PeJP	NA	NA
+PJ015055	SQKRR 	C26H51N13O8	673.3984	NA	PeJP	NA	NA
+PJ015056	ATLLKE 	C30H55N7O10	673.4011	NA	PeJP	NA	NA
+PJ015057	GKKRW 	C31H51N11O6	673.4024	NA	PeJP	NA	NA
+8196	f(78-83) of bovine b-lactoglobulin 	IPAVFK	673.403	Short chain acyl carnitines  ;SYN:(-)-(R)-3-Hydroxy-4-(trimethylammonio)butyrate; (-)-carnitine; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide; (r)-carnitine; (s)-carnitine; 1-carnitine; 3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium; Bicarnesine; Carnilean; Carnitene; Carnitine; Carnitor; D-carnitine; delta-carnitine; DL-carnitine; Gamma-trimethyl-ammonium-beta-hydroxybutirate; Gamma-trimethyl-beta-hydroxybutyrobetaine; Gamma-trimethyl-hydroxybutyrobetaine; Karnitin; L-(-)-carnitine; L-carnitine; L-gamma-trimethyl-beta-hydroxybutyrobetaine; Levocarnitina; Levocarnitine; Levocarnitinum; R-(-)-3-hydroxy-4-trimethylaminobutyrate; Vitamin BT; Carniking; Carniking 50; Carnipass; Carnipass 20; 3-hydroxy-4-trimethylammoniobutanoate; 3-hydroxy-4-trimethylammoniobutanoic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ089903	Oleandomycin; 3'-O-De-Me 	C34H59NO12	673.403726	NA	MeJP	NA	NA
+PJ015058	VLMRR 	C28H55N11O6S	673.4058	NA	PeJP	NA	NA
+PJ015059	ATTLLR 	C29H55N9O9	673.4123	NA	PeJP	NA	NA
+PJ015060	GPLLKF 	C34H55N7O7	673.4163	NA	PeJP	NA	NA
+PJ015061	GLLLKM 	C31H59N7O7S	673.4197	NA	PeJP	NA	NA
+PJ015062	DKKKR 	C28H55N11O8	673.4235	NA	PeJP	NA	NA
+PJ015063	SKKRR 	C27H55N13O7	673.4348	NA	PeJP	NA	NA
+PJ015064	VTTILK 	C31H59N7O9	673.4374	NA	PeJP	NA	NA
+PJ015065	STLLLK 	C31H59N7O9	673.4375	NA	PeJP	NA	NA
+MJ089904	Argiotoxin 673 	C32H55N11O5	673.438763	NA	MeJP	NA	NA
+MJ089905	15-Norerythromycin A; 6,12-Dideoxy, 3''-O-de-Me 	C35H63NO11	673.440111	NA	MeJP	NA	NA
+PJ015066	GTLKKK 	C30H59N9O8	673.4487	NA	PeJP	NA	NA
+HMDB07900	PC(14:1(9Z)/14:1(9Z))	C36H68NO8P	673.468262	NA	HMDB2010	NA	NA
+HMDB08852	PE(14:0/P-18:1(11Z))	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB08853	PE(14:0/P-18:1(9Z))	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB08884	PE(14:1(9Z)/P-18:0)	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB08982	PE(16:1(9Z)/P-16:0)	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB11339	PE(P-16:0/16:1(9Z))	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB11369	PE(P-18:0/14:1(9Z))	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB11401	PE(P-18:1(11Z)/14:0)	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB11434	PE(P-18:1(9Z)/14:0)	C37H72NO7P	673.504639	NA	HMDB2010	NA	NA
+HMDB10702	CerP(d18:1/20:0)	C38H76NO6P	673.541016	NA	HMDB2010	NA	NA
+MJ089906	Chamaeneric acid 	C28H18O20	674.039143	NA	MeJP	NA	NA
+FL3FACGSS001	Luteolin 7-sulfate-3'-rutinoside	C27H30O18S	674.11528	-	knapsack	NA	NA
+MJ089907	3',4',5,7-Tetrahydroxyflavone; 3'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-sulfate 	C27H30O18S	674.115284	NA	MeJP	NA	NA
+MJ089908	3,4',5,7-Tetrahydroxyflavone; 3-O-(Sulfoxyrutinoside) 	C27H30O18S	674.115284	NA	MeJP	NA	NA
+PJ015067	CCCCDE 	C21H34N6O11S4	674.1169	NA	PeJP	NA	NA
+PJ015068	SCCCEM 	C22H38N6O10S4	674.1533	NA	PeJP	NA	NA
+MJ089909	?-Isonaphthocyclinone 	C35H30O14	674.163555	NA	MeJP	NA	NA
+MJ089910	?-Naphthocyclinone 	C35H30O14	674.163555	NA	MeJP	NA	NA
+PJ015069	GCCDDY 	C25H34N6O12S2	674.1676	NA	PeJP	NA	NA
+PJ015070	PCCCCF 	C26H38N6O7S4	674.1685	NA	PeJP	NA	NA
+PJ015071	GCCMMM 	C23H42N6O7S5	674.1719	NA	PeJP	NA	NA
+MJ089911	Diphyllin; O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C32H34O16	674.184685	NA	MeJP	NA	NA
+MJ089912	Diphyllin; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H34O16	674.184685	NA	MeJP	NA	NA
+MJ089913	Ergochromes; Ergochrome DD 	C32H34O16	674.184685	NA	MeJP	NA	NA
+PJ015072	SPCCCY 	C26H38N6O9S3	674.1863	NA	PeJP	NA	NA
+PJ015073	STCCMM 	C23H42N6O9S4	674.1896	NA	PeJP	NA	NA
+PJ015074	GCDDEH 	C24H34N8O13S	674.1966	NA	PeJP	NA	NA
+MJ089914	Nallaflavanone 	C36H34O13	674.199941	NA	MeJP	NA	NA
+PJ015075	GSCDMY 	C26H38N6O11S2	674.204	NA	PeJP	NA	NA
+PJ015076	CDDHW 	C28H34N8O10S	674.2119	NA	PeJP	NA	NA
+PJ015077	SSDDDH 	C24H34N8O15	674.2144	NA	PeJP	NA	NA
+PJ015078	SPCCEH 	C25H38N8O10S2	674.2153	NA	PeJP	NA	NA
+MJ089915	Cryptophycin 4; 6',8'-Dichloro, 7R*,8R*-epoxide, O-de-Me 	C34H40Cl2N2O8	674.216171	NA	MeJP	NA	NA
+PJ015079	TCCYW 	C30H38N6O8S2	674.2193	NA	PeJP	NA	NA
+C12385	Premithramycin A2'	C33H38O15	674.2211	NA	KEGG	NA	NA
+PJ015080	SSSCEY 	C26H38N6O13S	674.2218	NA	PeJP	NA	NA
+PJ015081	CQMMY 	C27H42N6O8S3	674.2226	NA	PeJP	NA	NA
+PJ015082	GACMMY 	C27H42N6O8S3	674.2227	NA	PeJP	NA	NA
+MJ089916	Glycobismine E 	C39H34N2O9	674.22643	NA	MeJP	NA	NA
+PJ015083	GCNNMH 	C24H38N10O9S2	674.2265	NA	PeJP	NA	NA
+PJ015084	GSDEMH 	C25H38N8O12S	674.233	NA	PeJP	NA	NA
+PJ015085	CCMRY 	C26H42N8O7S3	674.2339	NA	PeJP	NA	NA
+PJ015086	CNEFY 	C30H38N6O10S	674.237	NA	PeJP	NA	NA
+HMDB01081	(N-acetylneuraminosyl(a2-6)lactosamine)	C25H42N2O19	674.238159	NA	HMDB2010	NA	NA
+HMDB06581	3-Sialyl-N-acetyllactosamine	C25H42N2O19	674.238159	NA	HMDB2010	NA	NA
+HMDB06584	6-Sialyl-N-acetyllactosamine	C25H42N2O19	674.238159	NA	HMDB2010	NA	NA
+HMDB01081	(N-acetylneuraminosyl(alpha2-6)lactosamine)	C25H42N2O19	674.23816	http://www.hmdb.ca/metabolites/HMDB01081	HMDB	NA	NA
+HMDB06581	3-Sialyl-N-acetyllactosamine	C25H42N2O19	674.23816	http://www.hmdb.ca/metabolites/HMDB06581	HMDB	NA	NA
+HMDB06584	6-Sialyl-N-acetyllactosamine	C25H42N2O19	674.23816	http://www.hmdb.ca/metabolites/HMDB06584	HMDB	NA	NA
+HMDB01081	(N-acetylneuraminosyl(alpha2-6)lactosamine)	C25H42N2O19	674.23816	HMDB01081	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06581	3-Sialyl-N-acetyllactosamine	C25H42N2O19	674.23816	HMDB06581	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06584	6-Sialyl-N-acetyllactosamine	C25H42N2O19	674.23816	HMDB06584	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04040	&alpha;-N-acetylneuraminyl-2,6-&beta;-D-galactosyl-1,4-N-acetyl-&beta;-D-glucosamine []	C25H42N2O19	674.238177	NA	metacyc	NA	NA
+C04886	alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-	C25H42N2O19	674.2382	NA	KEGG	NA	NA
+C04887	alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-	C28H45N2O22R	674.2382	NA	KEGG	NA	NA
+C04890	N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-	C22H37N2O16R	674.2382	NA	KEGG	NA	NA
+C04891	N-Acetyl-beta-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-D-	C22H37N2O16R	674.2382	NA	KEGG	NA	NA
+PJ015087	GPDEEE 	C26H38N6O15	674.2396	NA	PeJP	NA	NA
+PJ015088	GSSMMY 	C27H42N6O10S2	674.2404	NA	PeJP	NA	NA
+PJ015089	SSCNQH 	C24H38N10O11S	674.2442	NA	PeJP	NA	NA
+PJ015090	GGSSCQH 	C24H38N10O11S	674.2443	NA	PeJP	NA	NA
+MJ089917	Ergostane-2,3,6-triol, Tri-O-sulfate 	C28H50O12S3	674.246439	NA	MeJP	NA	NA
+MJ089918	Vincosamide; 6'-(3-Hydroxy-4-methoxycinnamoyl) 	C36H38N2O11	674.24756	NA	MeJP	NA	NA
+PJ015091	SDMHW 	C29H38N8O9S	674.2483	NA	PeJP	NA	NA
+PJ015092	SSSEEH 	C25H38N8O14	674.2508	NA	PeJP	NA	NA
+PJ015093	QEMMH 	C26H42N8O9S2	674.2516	NA	PeJP	NA	NA
+PJ015094	GAEMMH 	C26H42N8O9S2	674.2517	NA	PeJP	NA	NA
+PJ015095	GCFYW 	C34H38N6O7S	674.2523	NA	PeJP	NA	NA
+PJ015096	PDEEW 	C30H38N6O12	674.2548	NA	PeJP	NA	NA
+PJ015097	CQMFF 	C31H42N6O7S2	674.2557	NA	PeJP	NA	NA
+MJ089919	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Bis-(3-furancarbonyl), 2-(2-methylbutanoyl), 6,14-di-Ac 	C34H42O14	674.257456	NA	MeJP	NA	NA
+MJ089920	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 2,9-Bis(3-furancarbonyl), 1-(2-methylbutanoyl), 6,14-di-Ac 	C34H42O14	674.257456	NA	MeJP	NA	NA
+MJ089921	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, Bis(3-furancarbonyl), 2-methylbutanoyl, di-Ac 	C34H42O14	674.257456	NA	MeJP	NA	NA
+MJ089922	Rohitukin; 2'-Hydroxy 	C34H42O14	674.257456	NA	MeJP	NA	NA
+PJ015098	SSSTMY 	C27H42N6O12S	674.2582	NA	PeJP	NA	NA
+PJ015099	CKMMY 	C28H46N6O7S3	674.259	NA	PeJP	NA	NA
+PJ015100	GSSSSNH 	C24H38N10O13	674.262	NA	PeJP	NA	NA
+PJ015101	CEMHR 	C25H42N10O8S2	674.2629	NA	PeJP	NA	NA
+PJ015102	GSPNDW 	C29H38N8O11	674.266	NA	PeJP	NA	NA
+MJ089923	Dolastatin 3; Homologue (R = -CH2CH3) 	C30H42N8O6S2	674.266872	NA	MeJP	NA	NA
+PJ015103	AMMHW 	C30H42N8O6S2	674.2669	NA	PeJP	NA	NA
+PJ015104	GTTEMH 	C26H42N8O11S	674.2694	NA	PeJP	NA	NA
+PJ015105	GSYYW 	C34H38N6O9	674.27	NA	PeJP	NA	NA
+PJ015106	NMHHH 	C27H38N12O7S	674.2707	NA	PeJP	NA	NA
+PJ015107	GGMHHH 	C27H38N12O7S	674.2708	NA	PeJP	NA	NA
+MJ089924	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 11-Ketone, 1,3-dibenzoyl, 2,7-di-Ac 	C38H42O11	674.272712	NA	MeJP	NA	NA
+MJ089925	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 3-Ketone, 1,11-dibenzoyl, 2,7-di-Ac 	C38H42O11	674.272712	NA	MeJP	NA	NA
+PJ015108	AQMYY 	C31H42N6O9S	674.2734	NA	PeJP	NA	NA
+PJ015109	APTEEE 	C27H42N6O14	674.2759	NA	PeJP	NA	NA
+PJ015110	APPEMM 	C28H46N6O9S2	674.2768	NA	PeJP	NA	NA
+PJ015111	NNNQW 	C28H38N10O10	674.2773	NA	PeJP	NA	NA
+MJ089926	Gardoside; 2'-O-[8-Hydroxy-2,6-dimethyl-2E-octenoyl-(?5)-?-D-apiofuranoside] 	C31H46O16	674.278585	NA	MeJP	NA	NA
+MJ089927	Inerminoside B 	C31H46O16	674.278585	NA	MeJP	NA	NA
+PJ015112	GPCNER 	C25H42N10O10S	674.2806	NA	PeJP	NA	NA
+PJ015113	GEHFW 	C33H38N8O8	674.2813	NA	PeJP	NA	NA
+PJ015114	TTMHW 	C30H42N8O8S	674.2846	NA	PeJP	NA	NA
+PJ015115	GGPQMW 	C30H42N8O8S	674.2847	NA	PeJP	NA	NA
+PJ015116	SSSSPPN 	C26H42N8O13	674.2871	NA	PeJP	NA	NA
+PJ015117	STTTEH 	C26H42N8O13	674.2872	NA	PeJP	NA	NA
+PJ015118	KEMMH 	C27H46N8O8S2	674.288	NA	PeJP	NA	NA
+PJ015119	GSTHHH 	C27H38N12O9	674.2885	NA	PeJP	NA	NA
+PJ015120	SDKYY 	C31H42N6O11	674.2912	NA	PeJP	NA	NA
+PJ015121	CKMFF 	C32H46N6O6S2	674.292	NA	PeJP	NA	NA
+C08786	Trichilin A	C35H46O13	674.2938	NA	KEGG	NA	NA
+MJ089928	Trichilin B 	C35H46O13	674.293841	NA	MeJP	NA	NA
+PJ015122	GPLEEM 	C28H46N6O11S	674.2946	NA	PeJP	NA	NA
+PJ015123	PCNRW 	C29H42N10O7S	674.2959	NA	PeJP	NA	NA
+PJ015124	HFWW 	C37H38N8O5	674.2965	NA	PeJP	NA	NA
+PJ015125	NQEER 	C25H42N10O12	674.2984	NA	PeJP	NA	NA
+PJ015126	TMMHR 	C26H46N10O7S2	674.2993	NA	PeJP	NA	NA
+PJ015127	VNQEW 	C30H42N8O10	674.3024	NA	PeJP	NA	NA
+PJ015128	SSTLMH 	C27H46N8O10S	674.3058	NA	PeJP	NA	NA
+PJ015129	PPEFW 	C35H42N6O8	674.3064	NA	PeJP	NA	NA
+MJ089929	Azadirinin 	C39H46O10	674.309097	NA	MeJP	NA	NA
+MJ089930	Nimbolinin; 7-Cinnamoyl(E-), 1,3-di-Ac 	C39H46O10	674.309097	NA	MeJP	NA	NA
+PJ015130	NDDRR 	C24H42N12O11	674.3096	NA	PeJP	NA	NA
+PJ015131	GGGGGGASR 	C24H42N12O11	674.3097	NA	PeJP	NA	NA
+PJ015132	PLEMW 	C32H46N6O8S	674.3098	NA	PeJP	NA	NA
+PJ015133	GVLEEE 	C28H46N6O13	674.3123	NA	PeJP	NA	NA
+PJ015134	SPPLMM 	C29H50N6O8S2	674.3132	NA	PeJP	NA	NA
+PJ015135	GQERW 	C29H42N10O9	674.3136	NA	PeJP	NA	NA
+MJ089931	Argadin 	C29H42N10O9	674.313622	NA	MeJP	NA	NA
+PJ015136	GGAERW 	C29H42N10O9	674.3137	NA	PeJP	NA	NA
+PJ015137	GSPQMR 	C26H46N10O9S	674.317	NA	PeJP	NA	NA
+PJ015138	GVQWW 	C34H42N8O7	674.3177	NA	PeJP	NA	NA
+PJ015139	PNKMW 	C31H46N8O7S	674.321	NA	PeJP	NA	NA
+PJ015140	GGPKMW 	C31H46N8O7S	674.3211	NA	PeJP	NA	NA
+PJ015141	SSPQKE 	C27H46N8O12	674.3235	NA	PeJP	NA	NA
+PJ015142	LEEER 	C27H46N8O12	674.3236	NA	PeJP	NA	NA
+PJ015143	PPCCKK 	C28H50N8O7S2	674.3244	NA	PeJP	NA	NA
+PJ015144	PEHHR 	C28H42N12O8	674.3249	NA	PeJP	NA	NA
+PJ015145	VLEEW 	C32H46N6O10	674.3276	NA	PeJP	NA	NA
+PJ015146	GSPCRR 	C25H46N12O8S	674.3283	NA	PeJP	NA	NA
+MJ089932	PAPA-APEC 	C33H42N10O6	674.328879	NA	MeJP	NA	NA
+PJ015147	QRWW 	C33H42N10O6	674.3289	NA	PeJP	NA	NA
+MJ089933	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Benzoyl, bis(2-methylbutanoyl), di-Ac 	C36H50O12	674.330227	NA	MeJP	NA	NA
+MJ089934	Euphorrepinol; 7,15-Ditigloyl, 3,5,14-tri-Ac 	C36H50O12	674.330227	NA	MeJP	NA	NA
+PJ015148	SPVLEM 	C29H50N6O10S	674.3309	NA	PeJP	NA	NA
+PJ015149	CLHFR 	C30H46N10O6S	674.3323	NA	PeJP	NA	NA
+PJ015150	NKEER 	C26H46N10O11	674.3348	NA	PeJP	NA	NA
+PJ015151	VNKEW 	C31H46N8O9	674.3388	NA	PeJP	NA	NA
+PJ015152	GPDKKM 	C28H50N8O9S	674.3422	NA	PeJP	NA	NA
+MJ089935	Drymarin B 	C36H46N6O7	674.342797	NA	MeJP	NA	NA
+PJ015153	PPLYW 	C36H46N6O7	674.3428	NA	PeJP	NA	NA
+PJ015154	SQERR 	C25H46N12O10	674.346	NA	PeJP	NA	NA
+PJ015155	APPLMF 	C33H50N6O7S	674.3462	NA	PeJP	NA	NA
+MJ089936	Pleiocorine 	C41H46N4O5	674.34682	NA	MeJP	NA	NA
+MJ089937	Pleiocraline 	C41H46N4O5	674.34682	NA	MeJP	NA	NA
+PJ015156	ATLLEE 	C29H50N6O12	674.3487	NA	PeJP	NA	NA
+PJ015157	APLLMM 	C30H54N6O7S2	674.3496	NA	PeJP	NA	NA
+PJ015158	GKERW 	C30H46N10O8	674.35	NA	PeJP	NA	NA
+PJ015159	GGAAPFR 	C30H46N10O8	674.3501	NA	PeJP	NA	NA
+PJ015160	GSPKMR 	C27H50N10O8S	674.3534	NA	PeJP	NA	NA
+PJ015161	GVKWW 	C35H46N8O6	674.3541	NA	PeJP	NA	NA
+PJ015162	LKMHF 	C32H50N8O6S	674.3574	NA	PeJP	NA	NA
+PJ015163	AAKKEE 	C28H50N8O11	674.3599	NA	PeJP	NA	NA
+PJ015164	GTRRW 	C29H46N12O7	674.3613	NA	PeJP	NA	NA
+PJ015165	PPTTLF 	C33H50N6O9	674.3639	NA	PeJP	NA	NA
+PJ015166	SPPVLY 	C33H50N6O9	674.364	NA	PeJP	NA	NA
+PJ015167	VNMRR 	C26H50N12O7S	674.3646	NA	PeJP	NA	NA
+PJ015168	GGVMRR 	C26H50N12O7S	674.3647	NA	PeJP	NA	NA
+PJ015169	KRWW 	C34H46N10O5	674.3653	NA	PeJP	NA	NA
+C08935	Cimicifugoside	C37H54O11	674.3666	NA	KEGG	NA	NA
+MJ089938	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,22-dione, 16-O-(2-O-Acetyl-?-L-arabinopyranoside) 	C37H54O11	674.366612	NA	MeJP	NA	NA
+MJ089939	Acteol; 7,8-Didehydro, 12-Ac, 3-O-?-D-xylopyranoside 	C37H54O11	674.366612	NA	MeJP	NA	NA
+MJ089940	Reveromycin C 	C37H54O11	674.366612	NA	MeJP	NA	NA
+MJ089941	Reveromycin D 	C37H54O11	674.366612	NA	MeJP	NA	NA
+PJ015170	GLLLEM 	C30H54N6O9S	674.3673	NA	PeJP	NA	NA
+PJ015171	DKKER 	C27H50N10O10	674.3712	NA	PeJP	NA	NA
+PJ015172	VDKKW 	C32H50N8O8	674.3752	NA	PeJP	NA	NA
+PJ015173	GMRRR 	C25H50N14O6S	674.3759	NA	PeJP	NA	NA
+PJ015174	APTKKM 	C29H54N8O8S	674.3786	NA	PeJP	NA	NA
+MJ089942	Hymenocardine 	C37H50N6O6	674.379183	NA	MeJP	NA	NA
+C10004	Hymenocardine	C37H50N6O6	674.3792	NA	KEGG	NA	NA
+PJ015175	PLLFW 	C37H50N6O6	674.3792	NA	PeJP	NA	NA
+PJ015176	SKERR 	C26H50N12O9	674.3824	NA	PeJP	NA	NA
+PJ015177	LLLMW 	C34H54N6O6S	674.3826	NA	PeJP	NA	NA
+MJ089943	Ervahanine A 	C42H50N4O4	674.383206	NA	MeJP	NA	NA
+MJ089944	Ervahanine B 	C42H50N4O4	674.383206	NA	MeJP	NA	NA
+MJ089945	Ervahanine C 	C42H50N4O4	674.383206	NA	MeJP	NA	NA
+PJ015178	STLLLE 	C30H54N6O11	674.3851	NA	PeJP	NA	NA
+PJ015179	SVKRW 	C31H50N10O7	674.3864	NA	PeJP	NA	NA
+MJ089946	7,11-Dihydroxy-4,6,8,10,12,14-hexamethyl-4,8,12-hexadecatrien-3-one; Di-O-?-D-mannopyranoside 	C34H58O13	674.387741	NA	MeJP	NA	NA
+MJ089947	Furostane-1,2,3,4,5,22,26-heptol, 22-Me ether, 26-O-?-D-glucopyranoside 	C34H58O13	674.387741	NA	MeJP	NA	NA
+PJ015180	LQKMR 	C28H54N10O7S	674.3898	NA	PeJP	NA	NA
+PJ015181	STRRR 	C25H50N14O8	674.3936	NA	PeJP	NA	NA
+PJ015182	GTLKKE 	C29H54N8O10	674.3963	NA	PeJP	NA	NA
+PJ015183	LLHHR 	C30H50N12O6	674.3977	NA	PeJP	NA	NA
+PJ015184	GPLLLY 	C34H54N6O8	674.4003	NA	PeJP	NA	NA
+PJ015185	CLKRR 	C27H54N12O6S	674.401	NA	PeJP	NA	NA
+MJ089948	12-Oleanene-3,16,21,22,23,28-hexol, 3,21,22,28-Tetra-Ac 	C38H58O10	674.402998	NA	MeJP	NA	NA
+MJ089949	Anhydrocrustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl), 3-Ac 	C38H58O10	674.402998	NA	MeJP	NA	NA
+PJ015186	SVLLLM 	C31H58N6O8S	674.4037	NA	PeJP	NA	NA
+PJ015187	ASNKKK 	C28H54N10O9	674.4075	NA	PeJP	NA	NA
+PJ015188	GTTLKR 	C28H54N10O9	674.4076	NA	PeJP	NA	NA
+PJ015189	TLKKW 	C33H54N8O7	674.4116	NA	PeJP	NA	NA
+PJ015190	ACLLKK 	C30H58N8O7S	674.4149	NA	PeJP	NA	NA
+PJ015191	GVLKKM 	C30H58N8O7S	674.415	NA	PeJP	NA	NA
+PJ015192	PKKFR 	C32H54N10O6	674.4228	NA	PeJP	NA	NA
+MJ089950	Indicoside A 	C35H62O12	674.424127	NA	MeJP	NA	NA
+PJ015193	LKKMR 	C29H58N10O6S	674.4262	NA	PeJP	NA	NA
+PJ015194	SSLLKK 	C30H58N8O9	674.4327	NA	PeJP	NA	NA
+C11295	N-Acetyl-leu-leu-leu-leu-tyr-amide	C35H58N6O7	674.4367	NA	KEGG	NA	NA
+PJ015195	GLLLLF 	C35H58N6O7	674.4367	NA	PeJP	NA	NA
+MJ089951	12-Oleanene-3,15,16,21,22,28-hexol, 21-(3-Methylbutanoyl), 15,22-di-Ac 	C39H62O9	674.439383	NA	MeJP	NA	NA
+PJ015196	GSKKKK 	C29H58N10O8	674.4439	NA	PeJP	NA	NA
+MJ089952	12-Oleanene-3,16,21,22,23,28-hexol, 21,22-Bis(2-methylbutanoyl) 	C40H66O8	674.475769	NA	MeJP	NA	NA
+HMDB07858	PA(16:0/18:1(11Z))	C37H71O8P	674.488647	NA	HMDB2010	NA	NA
+HMDB07859	PA(16:0/18:1(9Z))	C37H71O8P	674.488647	NA	HMDB2010	NA	NA
+MetaCyc04041	1-18:1-2-16:0-sn-glycerol-3-phosphate []	C37H71O8P1	674.488656	NA	metacyc	NA	NA
+C13889	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate	C37H71O8P	674.4887	NA	KEGG	NA	NA
+MJ089953	1,3,29,31-Dotriacontanetetrol, 29-Ketone, 1-O-?-D-glucopyranoside 	C38H74O9	674.533283	NA	MeJP	NA	NA
+MJ089954	1,3,29,31-Dotriacontanetetrol, 29-Ketone, 1-O-?-D-mannopyranoside 	C38H74O9	674.533283	NA	MeJP	NA	NA
+HMDB12097	SM(d18:1/14:0)	C37H75N2O6P	674.536255	NA	HMDB2010	NA	NA
+HMDB07204	DG(18:1(11Z)/22:2(13Z,16Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07233	DG(18:1(9Z)/22:2(13Z,16Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07261	DG(18:2(9Z,12Z)/22:1(13Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07289	DG(18:3(6Z,9Z,12Z)/22:0/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07318	DG(18:3(9Z,12Z,15Z)/22:0/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07371	DG(20:0/20:3(5Z,8Z,11Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07372	DG(20:0/20:3(8Z,11Z,14Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07399	DG(20:1(11Z)/20:2(11Z,14Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07427	DG(20:2(11Z,14Z)/20:1(11Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07455	DG(20:3(5Z,8Z,11Z)/20:0/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07484	DG(20:3(8Z,11Z,14Z)/20:0/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07597	DG(22:0/18:3(6Z,9Z,12Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07598	DG(22:0/18:3(9Z,12Z,15Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07625	DG(22:1(13Z)/18:2(9Z,12Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07652	DG(22:2(13Z,16Z)/18:1(11Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB07653	DG(22:2(13Z,16Z)/18:1(9Z)/0:0)	C43H78O5	674.5849	NA	HMDB2010	NA	NA
+HMDB06736	CE(20:3(8Z,11Z,14Z))	C47H78O2	674.600159	NA	HMDB2010	NA	NA
+HMDB10373	CE(20:3(5Z,8Z,11Z))	C47H78O2	674.600159	NA	HMDB2010	NA	NA
+HMDB06736	Cholesteryl eicosatrienoic acid	C47H78O2	674.60016	http://www.hmdb.ca/metabolites/HMDB06736	HMDB	NA	NA
+HMDB06736	Cholesteryl eicosatrienoic acid	C47H78O2	674.60016	HMDB06736	PFEM_hmdb_metabocards_official	NA	NA
+MJ089955	24-Hydroxy-10-tetracosenoic acid, (Z)-7-Heneicosenyl ester 	C45H86O3	674.657696	NA	MeJP	NA	NA
+MJ089956	26-Heptacosene-9,10-diol; 9-(9-Octadecenoyl)(Z-) 	C45H86O3	674.657696	NA	MeJP	NA	NA
+MJ089957	Octatetracontane 	C48H98	674.766853	NA	MeJP	NA	NA
+MJ089958	Antibiotic S 3907C4B 	C25H29N3O15S2	675.104008	NA	MeJP	NA	NA
+PJ015197	CCCCNM 	C21H37N7O8S5	675.1307	NA	PeJP	NA	NA
+PJ015198	GGCCCCM 	C21H37N7O8S5	675.1308	NA	PeJP	NA	NA
+PJ015199	GSTCCCC 	C21H37N7O10S4	675.1485	NA	PeJP	NA	NA
+PJ015200	SSSSCCC 	C21H37N7O12S3	675.1663	NA	PeJP	NA	NA
+PJ015201	GCCCQY 	C25H37N7O9S3	675.1815	NA	PeJP	NA	NA
+PJ015202	PCCCNH 	C24H37N9O8S3	675.1928	NA	PeJP	NA	NA
+PJ015203	SSCCNY 	C25H37N7O11S2	675.1993	NA	PeJP	NA	NA
+PJ015204	CEMMY 	C27H41N5O9S3	675.2067	NA	PeJP	NA	NA
+PJ015205	GCNDMH 	C24H37N9O10S2	675.2105	NA	PeJP	NA	NA
+PJ015206	GCCCKY 	C26H41N7O8S3	675.2179	NA	PeJP	NA	NA
+PJ015207	CDEFY 	C30H37N5O11S	675.221	NA	PeJP	NA	NA
+PJ015208	CCQHW 	C28H37N9O7S2	675.2258	NA	PeJP	NA	NA
+PJ015209	SSCNEH 	C24H37N9O12S	675.2283	NA	PeJP	NA	NA
+PJ015210	CNNYY 	C29H37N7O10S	675.2323	NA	PeJP	NA	NA
+PJ015211	SPNDDE 	C25H37N7O15	675.2348	NA	PeJP	NA	NA
+PJ015212	EEMMH 	C26H41N7O10S2	675.2357	NA	PeJP	NA	NA
+PJ015213	SDEYY 	C30H37N5O13	675.2388	NA	PeJP	NA	NA
+PJ015214	PCMYY 	C31H41N5O8S2	675.2397	NA	PeJP	NA	NA
+PJ015215	TMMMY 	C28H45N5O8S3	675.243	NA	PeJP	NA	NA
+PJ015216	GSSCHW 	C28H37N9O9S	675.2435	NA	PeJP	NA	NA
+PJ015217	GSSSSDH 	C24H37N9O14	675.246	NA	PeJP	NA	NA
+PJ015218	GGGGGGGEE 	C24H37N9O14	675.2461	NA	PeJP	NA	NA
+PJ015219	GSNMMH 	C25H41N9O9S2	675.2469	NA	PeJP	NA	NA
+PJ015220	DEEHF 	C29H37N7O12	675.25	NA	PeJP	NA	NA
+PJ015221	GSPDDW 	C29H37N7O12	675.2501	NA	PeJP	NA	NA
+PJ015222	APPCCW 	C30H41N7O7S2	675.2509	NA	PeJP	NA	NA
+MJ089959	Cephabacin F; Cephabacin F7 	C26H41N7O12S	675.25339	NA	MeJP	NA	NA
+PJ015223	GPNEEM 	C26H41N7O12S	675.2534	NA	PeJP	NA	NA
+PJ015224	DMHHH 	C27H37N11O8S	675.2548	NA	PeJP	NA	NA
+PJ015225	SNNNNN 	C23H37N11O13	675.2572	NA	PeJP	NA	NA
+PJ015226	GGSNNNN 	C23H37N11O13	675.2573	NA	PeJP	NA	NA
+PJ015227	AEMYY 	C31H41N5O10S	675.2574	NA	PeJP	NA	NA
+PJ015228	GTCCHR 	C24H41N11O8S2	675.2581	NA	PeJP	NA	NA
+MJ089960	Lewis b blood group tetrasaccharide 	C26H45NO19	675.258578	NA	MeJP	NA	NA
+PJ015229	NNNEW 	C28H37N9O11	675.2613	NA	PeJP	NA	NA
+PJ015230	CCKHW 	C29H41N9O6S2	675.2621	NA	PeJP	NA	NA
+PJ015231	SSSQMH 	C25H41N9O11S	675.2646	NA	PeJP	NA	NA
+PJ015232	GPCDER 	C25H41N9O11S	675.2647	NA	PeJP	NA	NA
+PJ015233	PNEMW 	C30H41N7O9S	675.2687	NA	PeJP	NA	NA
+PJ015234	AAQEEE 	C26H41N7O14	675.2712	NA	PeJP	NA	NA
+PJ015235	SPPNMM 	C27H45N7O9S2	675.272	NA	PeJP	NA	NA
+PJ015236	GGSPPMM 	C27H45N7O9S2	675.2721	NA	PeJP	NA	NA
+PJ015237	GPNDHH 	C27H37N11O10	675.2725	NA	PeJP	NA	NA
+PJ015238	PCFFY 	C35H41N5O7S	675.2727	NA	PeJP	NA	NA
+PJ015239	TTEYY 	C31H41N5O12	675.2752	NA	PeJP	NA	NA
+PJ015240	SSSCHR 	C24H41N11O10S	675.2759	NA	PeJP	NA	NA
+PJ015241	CLMFY 	C32H45N5O7S2	675.2761	NA	PeJP	NA	NA
+PJ015242	GNNWW 	C32H37N9O8	675.2765	NA	PeJP	NA	NA
+PJ015243	GGGGGWW 	C32H37N9O8	675.2766	NA	PeJP	NA	NA
+PJ015244	PCDRW 	C29H41N9O8S	675.2799	NA	PeJP	NA	NA
+PJ015245	NEEER 	C25H41N9O13	675.2824	NA	PeJP	NA	NA
+PJ015246	PPTCCR 	C26H45N9O8S2	675.2833	NA	PeJP	NA	NA
+PJ015247	GPMWW 	C34H41N7O6S	675.2839	NA	PeJP	NA	NA
+PJ015248	VNEEW 	C30H41N7O11	675.2864	NA	PeJP	NA	NA
+PJ015249	GPDKEM 	C27H45N7O11S	675.2898	NA	PeJP	NA	NA
+PJ015250	APYYY 	C35H41N5O9	675.2904	NA	PeJP	NA	NA
+PJ015251	AEFFY 	C35H41N5O9	675.2905	NA	PeJP	NA	NA
+PJ015252	CNHFR 	C28H41N11O7S	675.2911	NA	PeJP	NA	NA
+PJ015253	GGCHFR 	C28H41N11O7S	675.2912	NA	PeJP	NA	NA
+PJ015254	DDDRR 	C24H41N11O12	675.2936	NA	PeJP	NA	NA
+PJ015255	GGGSNER 	C24H41N11O12	675.2937	NA	PeJP	NA	NA
+PJ015256	SLMYY 	C32H45N5O9S	675.2938	NA	PeJP	NA	NA
+PJ015257	SQQQW 	C29H41N9O10	675.2976	NA	PeJP	NA	NA
+MJ089961	Antibiotic FTD 0668 	C29H41N9O10	675.297638	NA	MeJP	NA	NA
+MJ089962	Argifin 	C29H41N9O10	675.297638	NA	MeJP	NA	NA
+PJ015258	GEERW 	C29H41N9O10	675.2977	NA	PeJP	NA	NA
+PJ015259	GSPEMR 	C26H45N9O10S	675.301	NA	PeJP	NA	NA
+PJ015260	GGGGGLQM 	C26H45N9O10S	675.3011	NA	PeJP	NA	NA
+MJ089963	Stellarin A 	C34H41N7O8	675.301661	NA	MeJP	NA	NA
+MJ089964	Yunnanin A 	C34H41N7O8	675.301661	NA	MeJP	NA	NA
+PJ015261	GVEWW 	C34H41N7O8	675.3017	NA	PeJP	NA	NA
+PJ015262	PDKMW 	C31H45N7O8S	675.3051	NA	PeJP	NA	NA
+PJ015263	SSSPPTT 	C27H45N7O13	675.3075	NA	PeJP	NA	NA
+PJ015264	AAKEEE 	C27H45N7O13	675.3076	NA	PeJP	NA	NA
+PJ015265	GPLQMM 	C28H49N7O8S2	675.3084	NA	PeJP	NA	NA
+PJ015266	SNNRW 	C28H41N11O9	675.3089	NA	PeJP	NA	NA
+PJ015267	CLFFF 	C36H45N5O6S	675.3091	NA	PeJP	NA	NA
+8279	Antioxidative peptide	VPNSYP	675.3099	NA  ;SYN:(+-)-5-Hydroxytryptophan; (S)-5-Hydroxytryptophan; 5-hydroxy-L-Tryptophan; 5-Hydroxy-tryptophan; 5-Hydroxyl-L-tryptophan; 5-Hydroxytryptophan; 5-Hydroxytryptophan L form; 5-Hydroxytryptophan L-form; Cincofarm; Hydroxytryptophan; Levothym; Levotinine; Oxitriptan; Oxyfan; Oxytryptophan; Pretonine; Quietim; Serotonyl; Telesol; Triptene;  L-5-HydroxytryptophanH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ015268	NQQMR 	C25H45N11O9S	675.3123	NA	PeJP	NA	NA
+PJ015269	ERWW 	C33H41N9O7	675.3129	NA	PeJP	NA	NA
+PJ015270	SPMRW 	C30H45N9O7S	675.3163	NA	PeJP	NA	NA
+PJ015271	VWWW 	C38H41N7O5	675.3169	NA	PeJP	NA	NA
+PJ015272	DKEER 	C26H45N9O12	675.3188	NA	PeJP	NA	NA
+PJ015273	AAPMMR 	C27H49N9O7S2	675.3197	NA	PeJP	NA	NA
+PJ015274	VDKEW 	C31H45N7O10	675.3228	NA	PeJP	NA	NA
+PJ015275	CNQRR 	C24H45N13O8S	675.3235	NA	PeJP	NA	NA
+PJ015276	VHHHF 	C32H41N11O6	675.3242	NA	PeJP	NA	NA
+MJ089965	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(4-methoxybenzoyl), 8-Ac 	C35H49NO12	675.325476	NA	MeJP	NA	NA
+MJ089966	Yunaconitine; 2?-Hydroxy 	C35H49NO12	675.325476	NA	MeJP	NA	NA
+C08692	Jesaconitine	C35H49NO12	675.3255	NA	KEGG	NA	NA
+PJ015277	APTKEM 	C28H49N7O10S	675.3262	NA	PeJP	NA	NA
+PJ015278	ALFYY 	C36H45N5O8	675.3268	NA	PeJP	NA	NA
+PJ015279	SEERR 	C25H45N11O11	675.33	NA	PeJP	NA	NA
+PJ015280	SVERW 	C30H45N9O9	675.334	NA	PeJP	NA	NA
+PJ015281	GGTQKW 	C30H45N9O9	675.3341	NA	PeJP	NA	NA
+PJ015282	LQEMR 	C27H49N9O9S	675.3374	NA	PeJP	NA	NA
+PJ015283	ATLWW 	C35H45N7O7	675.3381	NA	PeJP	NA	NA
+PJ015284	GSSNRR 	C24H45N13O10	675.3413	NA	PeJP	NA	NA
+PJ015285	VLQMW 	C32H49N7O7S	675.3414	NA	PeJP	NA	NA
+PJ015286	GGLLMW 	C32H49N7O7S	675.3415	NA	PeJP	NA	NA
+PJ015287	ASLKEE 	C28H49N7O12	675.3439	NA	PeJP	NA	NA
+PJ015288	GTLKEE 	C28H49N7O12	675.344	NA	PeJP	NA	NA
+PJ015289	GPLKMM 	C29H53N7O7S2	675.3448	NA	PeJP	NA	NA
+PJ015290	GPTKHH 	C29H45N11O8	675.3453	NA	PeJP	NA	NA
+PJ015291	NQKMR 	C26H49N11O8S	675.3486	NA	PeJP	NA	NA
+PJ015292	VDMRR 	C26H49N11O8S	675.3487	NA	PeJP	NA	NA
+PJ015293	APFRW 	C34H45N9O6	675.3493	NA	PeJP	NA	NA
+PJ015294	ALMRW 	C31H49N9O6S	675.3527	NA	PeJP	NA	NA
+PJ015295	GTTLER 	C27H49N9O11	675.3552	NA	PeJP	NA	NA
+PJ015296	VQHHR 	C28H45N13O7	675.3565	NA	PeJP	NA	NA
+PJ015297	TLKEW 	C32H49N7O9	675.3592	NA	PeJP	NA	NA
+PJ015298	CNKRR 	C25H49N13O7S	675.3599	NA	PeJP	NA	NA
+MJ089967	4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O8-Et, O1,O6,O16,O18-tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl) 	C36H53NO11	675.361861	NA	MeJP	NA	NA
+MJ089968	Ganefromycin ?1; 13-Me ether 	C36H53NO11	675.361861	NA	MeJP	NA	NA
+PJ015299	GVLKEM 	C29H53N7O9S	675.3626	NA	PeJP	NA	NA
+PJ015300	GSTQKR 	C26H49N11O10	675.3664	NA	PeJP	NA	NA
+PJ015301	AHHRR 	C27H45N15O6	675.3678	NA	PeJP	NA	NA
+PJ015302	TTLRW 	C31H49N9O8	675.3704	NA	PeJP	NA	NA
+PJ015303	GGPPVLH 	C31H49N9O8	675.3705	NA	PeJP	NA	NA
+PJ015304	LKEMR 	C28H53N9O8S	675.3738	NA	PeJP	NA	NA
+PJ015305	PVKFW 	C36H49N7O6	675.3745	NA	PeJP	NA	NA
+MJ089969	Stevastelin C3; 13-Deoxy, 12,13-didehydro, 14-sulfate 	C32H57N3O10S	675.376465	NA	MeJP	NA	NA
+PJ015306	VLKMW 	C33H53N7O6S	675.3778	NA	PeJP	NA	NA
+PJ015307	SSLLKE 	C29H53N7O11	675.3803	NA	PeJP	NA	NA
+PJ015308	PTFRR 	C30H49N11O7	675.3817	NA	PeJP	NA	NA
+MJ089970	Fumonisin C1; 4,9-Dideoxy 	C33H57NO13	675.38299	NA	MeJP	NA	NA
+PJ015309	TLMRR 	C27H53N11O7S	675.385	NA	PeJP	NA	NA
+PJ015310	GGKKMR 	C27H53N11O7S	675.3851	NA	PeJP	NA	NA
+PJ015311	SSTLLR 	C28H53N9O10	675.3916	NA	PeJP	NA	NA
+PJ015312	VKHHR 	C29H49N13O6	675.3929	NA	PeJP	NA	NA
+PJ015313	GPVLKY 	C33H53N7O8	675.3956	NA	PeJP	NA	NA
+MJ089971	Antascomicin; Antascomicin B 	C37H57NO10	675.398247	NA	MeJP	NA	NA
+MJ089972	Antascomicin; Antascomicin E 	C37H57NO10	675.398247	NA	MeJP	NA	NA
+PJ015314	ATLLKM 	C30H57N7O8S	675.399	NA	PeJP	NA	NA
+PJ015315	GSTKKR 	C27H53N11O9	675.4028	NA	PeJP	NA	NA
+PJ015316	SKKKW 	C32H53N9O7	675.4068	NA	PeJP	NA	NA
+PJ015317	AAKKKM 	C29H57N9O7S	675.4102	NA	PeJP	NA	NA
+HMDB12342	PS(14:1(9Z)/14:1(9Z))	C34H62NO10P	675.411133	NA	HMDB2010	NA	NA
+PJ015318	TTTLLK 	C30H57N7O10	675.4167	NA	PeJP	NA	NA
+PJ015319	VVFRR 	C31H53N11O6	675.4181	NA	PeJP	NA	NA
+PJ015320	ATTKKK 	C29H57N9O9	675.4279	NA	PeJP	NA	NA
+PJ015321	GVLLKF 	C34H57N7O7	675.432	NA	PeJP	NA	NA
+MJ089973	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-(2-O-Acetamido-2-deoxy-?-D-glucopyranoside) 	C38H61NO9	675.434632	NA	MeJP	NA	NA
+PJ015322	LLKFR 	C33H57N9O6	675.4432	NA	PeJP	NA	NA
+HMDB07867	PC(14:0/14:1(9Z))	C36H70NO8P	675.483887	NA	HMDB2010	NA	NA
+HMDB07899	PC(14:1(9Z)/14:0)	C36H70NO8P	675.483887	NA	HMDB2010	NA	NA
+HMDB08891	PE(15:0/16:1(9Z))	C36H70NO8P	675.483887	NA	HMDB2010	NA	NA
+HMDB08955	PE(16:1(9Z)/15:0)	C36H70NO8P	675.483887	NA	HMDB2010	NA	NA
+MJ089974	Acidissiminol; 6',7'-Epoxide, O-octadecanoyl 	C43H65NO5	675.486274	NA	MeJP	NA	NA
+MJ089975	Severine; O-Octadecanoyl 	C43H65NO5	675.486274	NA	MeJP	NA	NA
+HMDB08851	PE(14:0/P-18:0)	C37H74NO7P	675.520264	NA	HMDB2010	NA	NA
+HMDB08949	PE(16:0/P-16:0)	C37H74NO7P	675.520264	NA	HMDB2010	NA	NA
+HMDB11158	PE(P-16:0e/16:0)	C37H74NO7P	675.520264	NA	HMDB2010	NA	NA
+HMDB11368	PE(P-18:0/14:0)	C37H74NO7P	675.520264	NA	HMDB2010	NA	NA
+EUR1054	SM(d18:1/14:0) monoisotopic mass 	C37H76N2O6P	675.544101	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1061	SM(d18:1/15:0) [M-H-CH3]-	C38H78N2O6P	675.544101	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1054	SM(d18:1/14:0) monoisotopic mass 	C37H76N2O6P	675.544101	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1061	SM(d18:1/15:0) [M-H-CH3]-	C38H78N2O6P	675.544101	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1054	SM(d18:1/14:0) monoisotopic mass 	C37H76N2O6P	675.544101	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1061	SM(d18:1/15:0) [M-H-CH3]-	C38H78N2O6P	675.544101	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1054	SM(d18:1/14:0) monoisotopic mass 	C37H76N2O6P	675.544101	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1061	SM(d18:1/15:0) [M-H-CH3]-	C38H78N2O6P	675.544101	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB04954	Ceramide (d18:1/26:1(17Z))	C44H85NO3	675.65295	http://www.hmdb.ca/metabolites/HMDB04954	HMDB	NA	NA
+HMDB04954	Ceramide (d18:1/26:1(17Z))	C44H85NO3	675.65295	HMDB04954	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04954	Ceramide (d18:1/26:1(17Z))	C44H85NO3	675.652954	NA	HMDB2010	NA	NA
+MJ089976	Chartelline A 	C20H13Br4ClN4O	675.751139	NA	MeJP	NA	NA
+3871	vespa-like peptide from R, Erythraea	FLPILGKILGGLL~	675.9405	MH2+	Inhouse_peptide	NA	peptide
+PJ015323	CCCCDM 	C21H36N6O9S5	676.1148	NA	PeJP	NA	NA
+HMDB01312	Diadenosine diphosphate	C20H26N10O13P2	676.115601	NA	HMDB2010	NA	NA
+MJ089977	Quinic acid, 3,4,5-Tris(3,4,5-trihydroxybenzoyl), Et ester 	C30H28O18	676.127564	NA	MeJP	NA	NA
+PJ015324	SCCCMM 	C22H40N6O8S5	676.1511	NA	PeJP	NA	NA
+MJ089978	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 4-O-?-D-Glucopyranoside, 9'-(shikim-5-yl) ester 	C31H32O17	676.163949	NA	MeJP	NA	NA
+PJ015325	GCCCEY 	C25H36N6O10S3	676.1655	NA	PeJP	NA	NA
+PJ015326	PCCCDH 	C24H36N8O9S3	676.1768	NA	PeJP	NA	NA
+MJ089979	?-Naphthocyclinone 	C35H32O14	676.179205	NA	MeJP	NA	NA
+PJ015327	CCCYW 	C29H36N6O7S3	676.1808	NA	PeJP	NA	NA
+PJ015328	SSCCDY 	C25H36N6O12S2	676.1833	NA	PeJP	NA	NA
+PJ015329	ACCCMF 	C26H40N6O7S4	676.1842	NA	PeJP	NA	NA
+PJ015330	GCDDMH 	C24H36N8O11S2	676.1945	NA	PeJP	NA	NA
+MJ089980	Rubroside G 	C33H38Cl2N2O9	676.195436	NA	MeJP	NA	NA
+MJ089981	Elloramycin F 	C32H36O16	676.200335	NA	MeJP	NA	NA
+MJ089982	Sucrose; 3',4-Bis-O-(4-hydroxycinnamoyl), 2-Ac 	C32H36O16	676.200335	NA	MeJP	NA	NA
+MJ089983	Sucrose; 3',4-Bis-O-(4-hydroxycinnamoyl), 3-Ac 	C32H36O16	676.200335	NA	MeJP	NA	NA
+PJ015331	GTCCMY 	C26H40N6O9S3	676.2019	NA	PeJP	NA	NA
+PJ015332	SCCNNH 	C23H36N10O10S2	676.2058	NA	PeJP	NA	NA
+PJ015333	CCEHW 	C28H36N8O8S2	676.2098	NA	PeJP	NA	NA
+PJ015334	SSCDEH 	C24H36N8O13S	676.2123	NA	PeJP	NA	NA
+PJ015335	SPCCMH 	C25H40N8O8S3	676.2131	NA	PeJP	NA	NA
+PJ015336	CNDYY 	C29H36N6O11S	676.2163	NA	PeJP	NA	NA
+PJ015337	SPDDDE 	C25H36N6O16	676.2188	NA	PeJP	NA	NA
+PJ015338	SSSCMY 	C26H40N6O11S2	676.2197	NA	PeJP	NA	NA
+MJ089984	Brucein Q 	C29H40O18	676.221464	NA	MeJP	NA	NA
+MJ089985	Mycothiol 	C27H40N4O14S	676.226172	NA	MeJP	NA	NA
+MetaCyc04042	mycothiol-monobromobimane conjugate [MSmB;]	C27H40N4O14S1	676.226173	NA	metacyc	NA	NA
+PJ015339	GNNDEE 	C24H36N8O15	676.23	NA	PeJP	NA	NA
+PJ015340	GGGNDEE 	C24H36N8O15	676.2301	NA	PeJP	NA	NA
+MJ089986	Artonin D 	C40H36O10	676.230847	NA	MeJP	NA	NA
+MJ089987	Brosimone A 	C40H36O10	676.230847	NA	MeJP	NA	NA
+PJ015341	GSDMMH 	C25H40N8O10S2	676.2309	NA	PeJP	NA	NA
+PJ015342	CNMFY 	C30H40N6O8S2	676.2349	NA	PeJP	NA	NA
+C17555	Icariin	C33H40O15	676.2367	NA	KEGG	NA	NA
+MJ089988	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside, 7-O-?-D-glucopyranoside 	C33H40O15	676.23672	NA	MeJP	NA	NA
+MJ089989	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C33H40O15	676.23672	NA	MeJP	NA	NA
+MJ089990	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C33H40O15	676.23672	NA	MeJP	NA	NA
+MJ089991	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-?-L-rhamnopyranoside, 7-O-?-D-glucopyranoside 	C33H40O15	676.23672	NA	MeJP	NA	NA
+MJ089992	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[2-Methylbutanoyl-(?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O15	676.23672	NA	MeJP	NA	NA
+FL3FABGS0010	Acacetin 7-[2'''-(2-methylbutyryl)rutinoside]	C33H40O15	676.23672	63947-68-2	knapsack	NA	NA
+FL3FABGS0011	Acacetin 7-[3'''-(2-methylbutyryl)rutinoside]	C33H40O15	676.23672	63947-69-3	knapsack	NA	NA
+FL5FABGI0004	Sagittatoside A	C33H40O15	676.23672	118525-35-2	knapsack	NA	NA
+FL5FABGI0007	Icariin	C33H40O15	676.23672	489-32-7	knapsack	NA	NA
+PJ015343	GPDEEM 	C26H40N6O13S	676.2374	NA	PeJP	NA	NA
+PJ015344	SNNNND 	C23H36N10O14	676.2413	NA	PeJP	NA	NA
+PJ015345	NNDEW 	C28H36N8O12	676.2453	NA	PeJP	NA	NA
+PJ015346	TCMHW 	C29H40N8O7S2	676.2462	NA	PeJP	NA	NA
+MJ089993	Vincosamide; 10-Hydroxy, 10-O-?-D-glucopyranoside 	C32H40N2O14	676.247953	NA	MeJP	NA	NA
+PJ015347	SSSEMH 	C25H40N8O12S	676.2487	NA	PeJP	NA	NA
+PJ015348	QMMMH 	C26H44N8O7S3	676.2495	NA	PeJP	NA	NA
+PJ015349	GSCHHH 	C26H36N12O8S	676.25	NA	PeJP	NA	NA
+MJ089994	3',4',5',7,8-Pentahydroxyflavan(5?5)-3',4',5',7,8-pentahydroxyflavan, 3',3''',4',4''',5''',7,7''-Hepta-Me ether 	C37H40O12	676.251976	NA	MeJP	NA	NA
+PJ015350	PDEMW 	C30H40N6O10S	676.2527	NA	PeJP	NA	NA
+C12954	Dilazep dihydrochloride	C31H44N2O10	676.253	NA	KEGG	NA	NA
+C12955	Transferred to D01505	C31H44N2O10	676.253	NA	KEGG	NA	NA
+C12956	Transferred to D01506	C31H44N2O10	676.253	NA	KEGG	NA	NA
+C12957	Transferred to D01507	C31H44N2O10	676.253	NA	KEGG	NA	NA
+PJ015351	AAEEEE 	C26H40N6O15	676.2552	NA	PeJP	NA	NA
+PJ015352	SPPDMM 	C27H44N6O10S2	676.2561	NA	PeJP	NA	NA
+PJ015353	GPDDHH 	C27H36N10O11	676.2565	NA	PeJP	NA	NA
+PJ015354	GNNNQM 	C24H40N10O11S	676.2599	NA	PeJP	NA	NA
+PJ015355	GNDWW 	C32H36N8O9	676.2606	NA	PeJP	NA	NA
+PJ015356	CMMHR 	C25H44N10O6S3	676.2608	NA	PeJP	NA	NA
+PJ015357	GSPCQW 	C29H40N8O9S	676.2639	NA	PeJP	NA	NA
+MJ089995	Prodeconium(2+); Dibromide 	C28H58Br2N2O6	676.266162	NA	MeJP	NA	NA
+PJ015358	DEEER 	C25H40N8O14	676.2664	NA	PeJP	NA	NA
+MJ089996	Ingenol; 20-Deoxy, 13,16-bis(benzoyloxy), 3-benzoyl 	C41H40O9	676.267232	NA	MeJP	NA	NA
+PJ015359	GTTMMH 	C26H44N8O9S2	676.2673	NA	PeJP	NA	NA
+PJ015360	CNFFF 	C34H40N6O7S	676.2679	NA	PeJP	NA	NA
+PJ015361	GGCFFF 	C34H40N6O7S	676.268	NA	PeJP	NA	NA
+PJ015362	LDDEW 	C30H40N6O12	676.2704	NA	PeJP	NA	NA
+PJ015363	VDEEW 	C30H40N6O12	676.2705	NA	PeJP	NA	NA
+PJ015364	GCNNNR 	C23H40N12O10S	676.2711	NA	PeJP	NA	NA
+PJ015365	GGGGGCNR 	C23H40N12O10S	676.2712	NA	PeJP	NA	NA
+MJ089997	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 14-(2-methylpropanoyl), 1,2,6,8-tetra-Ac 	C34H44O14	676.273106	NA	MeJP	NA	NA
+MJ089998	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 7-O-?-D-xylopyranoside, 4-Ac 	C34H44O14	676.273106	NA	MeJP	NA	NA
+MJ089999	Atomasin A; 30-Deacyl, 30-propanoyl 	C34H44O14	676.273106	NA	MeJP	NA	NA
+MJ090000	Azadirachtin D 	C34H44O14	676.273106	NA	MeJP	NA	NA
+MJ090001	Meliacarpinin; 11-Methoxy, 1-(2-methyl-2-propenoyl), 3-Ac 	C34H44O14	676.273106	NA	MeJP	NA	NA
+MJ090002	Taccalonolide I; 5?-Hydroxy 	C34H44O14	676.273106	NA	MeJP	NA	NA
+PJ015366	APTEEM 	C27H44N6O12S	676.2738	NA	PeJP	NA	NA
+PJ015367	APPMMM 	C28H48N6O7S3	676.2747	NA	PeJP	NA	NA
+PJ015368	CDHFR 	C28H40N10O8S	676.2752	NA	PeJP	NA	NA
+PJ015369	SSNNQQ 	C24H40N10O13	676.2776	NA	PeJP	NA	NA
+PJ015370	GSNDER 	C24H40N10O13	676.2777	NA	PeJP	NA	NA
+PJ015371	GPCNMR 	C25H44N10O8S2	676.2785	NA	PeJP	NA	NA
+PJ015372	GMHFW 	C33H40N8O6S	676.2792	NA	PeJP	NA	NA
+PJ015373	SQQEW 	C29H40N8O11	676.2817	NA	PeJP	NA	NA
+PJ015374	STTTMH 	C26H44N8O11S	676.285	NA	PeJP	NA	NA
+PJ015375	AAQQEM 	C26H44N8O11S	676.2851	NA	PeJP	NA	NA
+PJ015376	PPDYW 	C34H40N6O9	676.2857	NA	PeJP	NA	NA
+PJ015377	KMMMH 	C27H48N8O6S3	676.2859	NA	PeJP	NA	NA
+MJ090003	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,3-di-Ac 	C38H44O11	676.288362	NA	MeJP	NA	NA
+MJ090004	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,7-di-Ac 	C38H44O11	676.288362	NA	MeJP	NA	NA
+MJ090005	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 3,7-di-Ac 	C38H44O11	676.288362	NA	MeJP	NA	NA
+PJ015378	TCKYY 	C31H44N6O9S	676.2891	NA	PeJP	NA	NA
+7444	coeliac toxic peptide	QGQQGYYPTSPQ	676.2915	MH2+	Inhouse_peptide	NA	peptide
+PJ015379	GTLEEE 	C27H44N6O14	676.2916	NA	PeJP	NA	NA
+PJ015380	APVEMM 	C28H48N6O9S2	676.2924	NA	PeJP	NA	NA
+PJ015381	GPLEMM 	C28H48N6O9S2	676.2925	NA	PeJP	NA	NA
+PJ015382	SNDRW 	C28H40N10O10	676.2929	NA	PeJP	NA	NA
+MJ090006	Inerminoside B; 6''',7'''-Dihydro 	C31H48O16	676.294235	NA	MeJP	NA	NA
+PJ015383	NQEMR 	C25H44N10O10S	676.2963	NA	PeJP	NA	NA
+PJ015384	GTQWW 	C33H40N8O8	676.2969	NA	PeJP	NA	NA
+MJ090007	Aglaine B; 3,4-Diepimer, 3'-methoxy, 19-hydroxy 	C37H44N2O10	676.299595	NA	MeJP	NA	NA
+PJ015385	VNQMW 	C30H44N8O8S	676.3003	NA	PeJP	NA	NA
+PJ015386	GSQKEE 	C26H44N8O13	676.3028	NA	PeJP	NA	NA
+PJ015387	GPNKMM 	C27H48N8O8S2	676.3037	NA	PeJP	NA	NA
+PJ015388	QQQHH 	C27H40N12O9	676.3041	NA	PeJP	NA	NA
+PJ015389	GAQQHH 	C27H40N12O9	676.3042	NA	PeJP	NA	NA
+PJ015390	PPMFW 	C35H44N6O6S	676.3043	NA	PeJP	NA	NA
+PJ015391	TLEEW 	C31H44N6O11	676.3068	NA	PeJP	NA	NA
+PJ015392	CNERR 	C24H44N12O9S	676.3075	NA	PeJP	NA	NA
+PJ015393	PLMMW 	C32H48N6O6S2	676.3077	NA	PeJP	NA	NA
+PJ015394	PTHHW 	C32H40N10O7	676.3082	NA	PeJP	NA	NA
+MJ090008	Euphorrepinol; 5-Tigloyl, penta-Ac 	C35H48O13	676.309491	NA	MeJP	NA	NA
+MJ090009	Euphorrepinol; 7-Tigloyl, penta-Ac 	C35H48O13	676.309491	NA	MeJP	NA	NA
+MJ090010	Limbonin 	C35H48O13	676.309491	NA	MeJP	NA	NA
+MJ090011	Synadenol; 7-(2-Methylbutanoyl), penta-Ac 	C35H48O13	676.309491	NA	MeJP	NA	NA
+PJ015395	GVLEEM 	C28H48N6O11S	676.3102	NA	PeJP	NA	NA
+PJ015396	GQMRW 	C29H44N10O7S	676.3115	NA	PeJP	NA	NA
+PJ015397	GGAMRW 	C29H44N10O7S	676.3116	NA	PeJP	NA	NA
+MJ090012	Cholesta-4,22-diene-3,6,8,15,16,24-hexol, 3-O-?-D-Xylopyranoside, 15-sulfate 	C32H52O13S	676.312862	NA	MeJP	NA	NA
+PJ015398	GSTQER 	C25H44N10O12	676.314	NA	PeJP	NA	NA
+PJ015399	GSDDKR 	C25H44N10O12	676.3141	NA	PeJP	NA	NA
+PJ015400	APCCKR 	C26H48N10O7S2	676.3149	NA	PeJP	NA	NA
+PJ015401	NNHHR 	C26H40N14O8	676.3154	NA	PeJP	NA	NA
+PJ015402	SQKEW 	C30H44N8O10	676.3181	NA	PeJP	NA	NA
+PJ015403	LEEMR 	C27H48N8O10S	676.3214	NA	PeJP	NA	NA
+PJ015404	GGGVKEM 	C27H48N8O10S	676.3215	NA	PeJP	NA	NA
+PJ015405	PVEFW 	C35H44N6O8	676.3221	NA	PeJP	NA	NA
+PJ015406	GCRRW 	C28H44N12O6S	676.3228	NA	PeJP	NA	NA
+MJ090013	Pregnane-3,5,6,8,12,14,17,20-octol, 12,20-Dicinnamoyl 	C39H48O10	676.324747	NA	MeJP	NA	NA
+PJ015407	GSSDRR 	C24H44N12O11	676.3253	NA	PeJP	NA	NA
+PJ015408	VLEMW 	C32H48N6O8S	676.3255	NA	PeJP	NA	NA
+PJ015409	SSLLEE 	C28H48N6O13	676.328	NA	PeJP	NA	NA
+PJ015410	SPVLMM 	C29H52N6O8S2	676.3288	NA	PeJP	NA	NA
+PJ015411	STQRW 	C29H44N10O9	676.3293	NA	PeJP	NA	NA
+PJ015412	NKEMR 	C26H48N10O9S	676.3327	NA	PeJP	NA	NA
+PJ015413	GTKWW 	C34H44N8O7	676.3333	NA	PeJP	NA	NA
+PJ015414	VNKMW 	C31H48N8O7S	676.3367	NA	PeJP	NA	NA
+PJ015415	GSKKEE 	C27H48N8O12	676.3392	NA	PeJP	NA	NA
+PJ015416	APCKKM 	C28H52N8O7S2	676.3401	NA	PeJP	NA	NA
+PJ015417	VEHHR 	C28H44N12O8	676.3405	NA	PeJP	NA	NA
+MJ090014	Antibiotic A 4993; Antibiotic A 4993A 	C28H44N12O8	676.340506	NA	MeJP	NA	NA
+PJ015418	GPVLEY 	C32H48N6O10	676.3432	NA	PeJP	NA	NA
+MJ090015	Bastaxanthol; 16'-Deoxy, 3-O-sulfate 	C40H52O7S	676.343374	NA	MeJP	NA	NA
+PJ015419	SQMRR 	C25H48N12O8S	676.3439	NA	PeJP	NA	NA
+PJ015420	VVHHW 	C33H44N10O6	676.3446	NA	PeJP	NA	NA
+MJ090016	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 2-O-?-D-Glucopyranoside 	C36H52O12	676.345877	NA	MeJP	NA	NA
+MJ090017	2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-[4-Deoxy-?-L-threo-hex-4-enopyranuroside] 	C36H52O12	676.345877	NA	MeJP	NA	NA
+MJ090018	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(6-Methyloctanoyl), 3-angeloyl, 8-(3-methyl-2-butenoyl), 10-Ac 	C36H52O12	676.345877	NA	MeJP	NA	NA
+MJ090019	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[àL-Rhamnopyranosyl-(1??)-àL-rhamnopyranoside] 	C36H52O12	676.345877	NA	MeJP	NA	NA
+MJ090020	Aquastatin B; 4'-O-?-D-Glucopyranoside 	C36H52O12	676.345877	NA	MeJP	NA	NA
+PJ015421	ATLLEM 	C29H52N6O10S	676.3466	NA	PeJP	NA	NA
+PJ015422	GKMRW 	C30H48N10O6S	676.3479	NA	PeJP	NA	NA
+MJ090021	Ergost-22-ene-3,6,8,15,28-pentol, 3-O-?-D-Xylopyranoside, 28-sulfate 	C33H56O12S	676.349247	NA	MeJP	NA	NA
+PJ015423	GSTKER 	C26H48N10O11	676.3504	NA	PeJP	NA	NA
+PJ015424	SKKEW 	C31H48N8O9	676.3544	NA	PeJP	NA	NA
+PJ015425	GSVTKW 	C31H48N8O9	676.3545	NA	PeJP	NA	NA
+PJ015426	SCRRR 	C24H48N14O7S	676.3551	NA	PeJP	NA	NA
+PJ015427	AAKKEM 	C28H52N8O9S	676.3578	NA	PeJP	NA	NA
+PJ015428	PVLYW 	C36H48N6O7	676.3585	NA	PeJP	NA	NA
+PJ015429	GSTTRR 	C25H48N12O10	676.3617	NA	PeJP	NA	NA
+PJ015430	GPLLMF 	C33H52N6O7S	676.3619	NA	PeJP	NA	NA
+MJ090022	Ervahanine A; 3'-Hydroxy, N-de-Me 	C41H48N4O5	676.36247	NA	MeJP	NA	NA
+MJ090023	Ervahanine B; 3'-Hydroxy, N-de-Me 	C41H48N4O5	676.36247	NA	MeJP	NA	NA
+MJ090024	Villalstonine; 4'-N-Oxide 	C41H48N4O5	676.36247	NA	MeJP	NA	NA
+PJ015431	TTTLLE 	C29H52N6O12	676.3643	NA	PeJP	NA	NA
+PJ015432	GLLLMM 	C30H56N6O7S2	676.3652	NA	PeJP	NA	NA
+PJ015433	STKRW 	C30H48N10O8	676.3657	NA	PeJP	NA	NA
+MJ090025	1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H56O14	676.367006	NA	MeJP	NA	NA
+MJ090026	1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H56O14	676.367006	NA	MeJP	NA	NA
+MJ090027	Gingerglycolipid A 	C33H56O14	676.367006	NA	MeJP	NA	NA
+MJ090028	Murolic acid, O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H56O14	676.367006	NA	MeJP	NA	NA
+MJ090029	Murolic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C33H56O14	676.367006	NA	MeJP	NA	NA
+PJ015434	DKKMR 	C27H52N10O8S	676.3691	NA	PeJP	NA	NA
+PJ015435	VKHFF 	C35H48N8O6	676.3697	NA	PeJP	NA	NA
+PJ015436	CLKKW 	C32H52N8O6S	676.3731	NA	PeJP	NA	NA
+PJ015437	ATTKKE 	C28H52N8O11	676.3756	NA	PeJP	NA	NA
+PJ015438	AQFRR 	C29H48N12O7	676.3769	NA	PeJP	NA	NA
+PJ015439	APTLLY 	C33H52N6O9	676.3796	NA	PeJP	NA	NA
+PJ015440	SKMRR 	C26H52N12O7S	676.3803	NA	PeJP	NA	NA
+MJ090030	1-[3-(Acetyloxy)-17-(1-oxopropoxy)-2-(1-piperidinyl)androstan-16-yl]-1-(2-propenyl)piperidinium(1+); Bromide 	C37H61BrN2O4	676.381471	NA	MeJP	NA	NA
+MJ090031	16,23:22,25-Diepoxycycloart-7-ene-3,12,23,24-tetrol, 12-Ac, 3-O-?-D-xylopyranoside 	C37H56O11	676.382262	NA	MeJP	NA	NA
+MJ090032	16,23:22,25-Diepoxycycloart-7-ene-3,12,23,24-tetrol, 12-Ac, 3-O-?-L-arabinopyranoside 	C37H56O11	676.382262	NA	MeJP	NA	NA
+MJ090033	3,19-Dihydroxy-1-oxo-12-ursene-23,28-dioic acid, 3-O-?-D-Arabinopyranoside, di-Me ester 	C37H56O11	676.382262	NA	MeJP	NA	NA
+MJ090034	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 30-Me ester 	C37H56O11	676.382262	NA	MeJP	NA	NA
+MJ090035	Acteol; 3-O-?-D-Xylopyranoside, 12-Ac 	C37H56O11	676.382262	NA	MeJP	NA	NA
+MJ090036	Acteol; 3-O-?-L-Arabinopyranoside, 12-Ac 	C37H56O11	676.382262	NA	MeJP	NA	NA
+PJ015441	STLLLM 	C30H56N6O9S	676.383	NA	PeJP	NA	NA
+PJ015442	SSSLKR 	C27H52N10O10	676.3868	NA	PeJP	NA	NA
+PJ015443	AAPKKY 	C32H52N8O8	676.3908	NA	PeJP	NA	NA
+PJ015444	GGGVLKF 	C32H52N8O8	676.3909	NA	PeJP	NA	NA
+PJ015445	GTLKKM 	C29H56N8O8S	676.3942	NA	PeJP	NA	NA
+PJ015446	VLLFW 	C37H52N6O6	676.3949	NA	PeJP	NA	NA
+MJ090037	Presecamine 	C42H52N4O4	676.398856	NA	MeJP	NA	NA
+MJ090038	Secamine 	C42H52N4O4	676.398856	NA	MeJP	NA	NA
+MJ090039	Tabernaemontavine 	C42H52N4O4	676.398856	NA	MeJP	NA	NA
+PJ015447	VQKFR 	C31H52N10O7	676.4021	NA	PeJP	NA	NA
+PJ015448	STTLKK 	C29H56N8O10	676.412	NA	PeJP	NA	NA
+PJ015449	AKFRR 	C30H52N12O6	676.4133	NA	PeJP	NA	NA
+PJ015450	GVLLLY 	C34H56N6O8	676.416	NA	PeJP	NA	NA
+MJ090040	1,3,23-Trihydroxy-12-oleanen-29-oic acid, 1-Ac, 23-O-?-L-rhamnopyranoside 	C38H60O10	676.418648	NA	MeJP	NA	NA
+MJ090041	Hyalodendroside B 	C38H60O10	676.418648	NA	MeJP	NA	NA
+MJ090042	Senescensol; 2-(3-Hydroxy-3-methylglutaroyl)(S-), 3-Ac 	C38H60O10	676.418648	NA	MeJP	NA	NA
+PJ015451	LLLRY 	C33H56N8O7	676.4272	NA	PeJP	NA	NA
+PJ015452	VKKFR 	C32H56N10O6	676.4385	NA	PeJP	NA	NA
+MJ090043	Minalemines; Minalemine A, N13-Sulfate 	C29H60N10O6S	676.4418	NA	MeJP	NA	NA
+MJ090044	20-Hydroxy-8-[2-hydroxy-1-methyl-3-(tetrahydro-2,4-dihydroxy-5,6-dimethyl-2H-pyran-2-yl)butyl]-1,3,9,13-tetramethyl-16-pentyl-7,17,19-trioxabicyclo[13.4.1]eicosa-2,4,10,12-tetraen-6-one; 24-Me ether 	C39H64O9	676.455033	NA	MeJP	NA	NA
+MJ090045	Belamcandaquinone A 	C44H68O5	676.506675	NA	MeJP	NA	NA
+MJ090046	Belamcandaquinone B 	C44H68O5	676.506675	NA	MeJP	NA	NA
+MJ090047	1-Octacosanol; O-(3-O-Benzoyl-?-D-glucopyranoside) 	C41H72O7	676.527804	NA	MeJP	NA	NA
+MJ090048	1,3,29,31-Dotriacontanetetrol, 1-O-?-D-Glucopyranoside 	C38H76O9	676.548934	NA	MeJP	NA	NA
+MJ090049	1,3,29,31-Dotriacontanetetrol, 1-O-?-D-Mannopyranoside 	C38H76O9	676.548934	NA	MeJP	NA	NA
+HMDB12085	SM(d18:0/14:0)	C37H77N2O6P	676.551941	NA	HMDB2010	NA	NA
+HMDB07152	DG(16:1(9Z)/24:1(15Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07175	DG(18:0/22:2(13Z,16Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07203	DG(18:1(11Z)/22:1(13Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07232	DG(18:1(9Z)/22:1(13Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07260	DG(18:2(9Z,12Z)/22:0/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07370	DG(20:0/20:2(11Z,14Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07398	DG(20:1(11Z)/20:1(11Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07426	DG(20:2(11Z,14Z)/20:0/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07596	DG(22:0/18:2(9Z,12Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07623	DG(22:1(13Z)/18:1(11Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07624	DG(22:1(13Z)/18:1(9Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07651	DG(22:2(13Z,16Z)/18:0/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB07824	DG(24:1(15Z)/16:1(9Z)/0:0)	C43H80O5	676.600586	NA	HMDB2010	NA	NA
+HMDB05232	DG(20:1(11Z)/20:1(11Z)/0:0)	C43H80O5	676.60059	http://www.hmdb.ca/metabolites/HMDB05232	HMDB	NA	NA
+HMDB05232	DG(20:1(11Z)/20:1(11Z)/0:0)	C43H80O5	676.60059	HMDB05232	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03885	20:2 Cholesterol ester	C47H80O2	676.61584	http://www.hmdb.ca/metabolites/HMDB03885	HMDB	NA	NA
+HMDB03885	20:2 Cholesterol ester	C47H80O2	676.61584	HMDB03885	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06734	CE(20:2(6Z,9Z))	C47H80O2	676.615845	NA	HMDB2010	NA	NA
+MJ090050	26-Hydroxy-21-hexatetracontanone 	C46H92O2	676.709732	NA	MeJP	NA	NA
+MJ090051	Eicosanoic acid; Hexacosyl ester 	C46H92O2	676.709732	NA	MeJP	NA	NA
+MJ090052	Hexatetracontanoic acid 	C46H92O2	676.709732	NA	MeJP	NA	NA
+C04631	UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine	C20H29N3O19P2	677.087	NA	KEGG	NA	NA
+C04632	[Hydroxymethylglutaryl-CoA reductase (NADPH)]	C4H6N2O3R2	677.087	NA	KEGG	NA	NA
+C04633	(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein]	C16H31O2SR	677.087	NA	KEGG	NA	NA
+MJ090053	UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine 	C20H29N3O19P2	677.087048	NA	MeJP	NA	NA
+MetaCyc04043	UDP-GlcNAc-enolpyruvate [UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine;UDP-N-acetylglucosamine-3-O-pyruvate ether;UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine;UDP-GlcNAc-pyruvate enol ether;]	C20H29N3O19P2	677.087049	NA	metacyc	NA	NA
+PJ015453	GSCCCCC 	C20H35N7O9S5	677.11	NA	PeJP	NA	NA
+PJ015454	SCCNDH 	C23H35N9O11S2	677.1898	NA	PeJP	NA	NA
+PJ015455	PCNDDD 	C24H35N7O14S	677.1963	NA	PeJP	NA	NA
+PJ015456	CDDYY 	C29H35N5O12S	677.2003	NA	PeJP	NA	NA
+PJ015457	CMMMY 	C27H43N5O7S4	677.2045	NA	PeJP	NA	NA
+PJ015458	GCCQMH 	C24H39N9O8S3	677.2084	NA	PeJP	NA	NA
+PJ015459	GNDDEE 	C24H35N7O16	677.2141	NA	PeJP	NA	NA
+PJ015460	GSPPCCD 	C25H39N7O11S2	677.2149	NA	PeJP	NA	NA
+PJ015461	CDMFY 	C30H39N5O9S2	677.2189	NA	PeJP	NA	NA
+PJ015462	GCCCHR 	C23H39N11O7S3	677.2196	NA	PeJP	NA	NA
+PJ015463	SNNNDD 	C23H35N9O15	677.2253	NA	PeJP	NA	NA
+PJ015464	SSCNMH 	C24H39N9O10S2	677.2262	NA	PeJP	NA	NA
+PJ015465	NDDEW 	C28H35N7O13	677.2293	NA	PeJP	NA	NA
+MJ090054	Perdeacylevonine; 1,2,14-Tri-Ac 	C32H39NO15	677.231969	NA	MeJP	NA	NA
+MJ090055	Perdeacylevonine; 1,9,14-Tri-Ac 	C32H39NO15	677.231969	NA	MeJP	NA	NA
+PJ015466	SPNDDM 	C25H39N7O13S	677.2327	NA	PeJP	NA	NA
+PJ015467	EMMMH 	C26H43N7O8S3	677.2335	NA	PeJP	NA	NA
+PJ015468	PPCCQM 	C26H43N7O8S3	677.2336	NA	PeJP	NA	NA
+MJ090056	Penitrem A; Dechloro, 6-bromo 	C37H44BrNO6	677.2352	NA	MeJP	NA	NA
+PJ015469	SDMYY 	C30H39N5O11S	677.2367	NA	PeJP	NA	NA
+PJ015470	CMMFF 	C31H43N5O6S3	677.2376	NA	PeJP	NA	NA
+PJ015471	GSSSTCH 	C24H39N9O12S	677.2439	NA	PeJP	NA	NA
+PJ015472	GDDWW 	C32H35N7O10	677.2446	NA	PeJP	NA	NA
+PJ015473	PPCCCR 	C25H43N9O7S3	677.2448	NA	PeJP	NA	NA
+MJ090057	Ulicyclamide 	C33H39N7O5S2	677.245408	NA	MeJP	NA	NA
+PJ015474	GSPCEW 	C29H39N7O10S	677.2479	NA	PeJP	NA	NA
+PJ015475	GSQEEE 	C25H39N7O15	677.2504	NA	PeJP	NA	NA
+PJ015476	GGGTEEE 	C25H39N7O15	677.2505	NA	PeJP	NA	NA
+PJ015477	GPNEMM 	C26H43N7O10S2	677.2513	NA	PeJP	NA	NA
+PJ015478	CDFFF 	C34H39N5O8S	677.252	NA	PeJP	NA	NA
+PJ015479	GCNNDR 	C23H39N11O11S	677.2552	NA	PeJP	NA	NA
+PJ015480	AMMYY 	C31H43N5O8S2	677.2553	NA	PeJP	NA	NA
+PJ015481	NNNMW 	C28H39N9O9S	677.2592	NA	PeJP	NA	NA
+PJ015482	GSDDER 	C24H39N9O14	677.2617	NA	PeJP	NA	NA
+PJ015483	APCCER 	C25H43N9O9S2	677.2625	NA	PeJP	NA	NA
+PJ015484	GPCDMR 	C25H43N9O9S2	677.2626	NA	PeJP	NA	NA
+PJ015485	SPCWW 	C33H39N7O7S	677.2632	NA	PeJP	NA	NA
+PJ015486	SQEEW 	C29H39N7O12	677.2657	NA	PeJP	NA	NA
+PJ015487	PNMMW 	C30H43N7O7S2	677.2666	NA	PeJP	NA	NA
+PJ015488	AAQEEM 	C26H43N7O12S	677.2691	NA	PeJP	NA	NA
+PJ015489	GEFYY 	C34H39N5O10	677.2697	NA	PeJP	NA	NA
+PJ015490	PPCCKM 	C27H47N7O7S3	677.2699	NA	PeJP	NA	NA
+PJ015491	GPCQHH 	C27H39N11O8S	677.2704	NA	PeJP	NA	NA
+MJ090058	Maytansine; N22-De-Me 	C33H44ClN3O10	677.271522	NA	MeJP	NA	NA
+PJ015492	TTMYY 	C31H43N5O10S	677.2731	NA	PeJP	NA	NA
+PJ015493	SDDRW 	C28H39N9O11	677.2769	NA	PeJP	NA	NA
+PJ015494	NEEMR 	C25H43N9O11S	677.2803	NA	PeJP	NA	NA
+PJ015495	ASEWW 	C33H39N7O9	677.2809	NA	PeJP	NA	NA
+PJ015496	GTEWW 	C33H39N7O9	677.281	NA	PeJP	NA	NA
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR367	Vitamine B12 F1	NA	677.283275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR367	Vitamine B12 F1	NA	677.283275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR367	Vitamine B12 F1	NA	677.283275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR367	Vitamine B12 F1	NA	677.283275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR367	Vitamin B12 F1	F1	677.283275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ015497	VNEMW 	C30H43N7O9S	677.2843	NA	PeJP	NA	NA
+PJ015498	FYYW 	C38H39N5O7	677.285	NA	PeJP	NA	NA
+PJ015499	GSKEEE 	C26H43N7O14	677.2868	NA	PeJP	NA	NA
+PJ015500	GPDKMM 	C27H47N7O9S2	677.2877	NA	PeJP	NA	NA
+PJ015501	QQEHH 	C27H39N11O10	677.2882	NA	PeJP	NA	NA
+PJ015502	AMFFY 	C35H43N5O7S	677.2883	NA	PeJP	NA	NA
+PJ015503	CDERR 	C24H43N11O10S	677.2915	NA	PeJP	NA	NA
+PJ015504	GGGGGSMR 	C24H43N11O10S	677.2916	NA	PeJP	NA	NA
+PJ015505	NNHFF 	C32H39N9O8	677.2922	NA	PeJP	NA	NA
+PJ015506	CNQKW 	C29H43N9O8S	677.2955	NA	PeJP	NA	NA
+PJ015507	GEMRW 	C29H43N9O8S	677.2956	NA	PeJP	NA	NA
+PJ015508	TWWW 	C37H39N7O6	677.2962	NA	PeJP	NA	NA
+MJ090059	Callipeltoside A 	C35H48ClNO10	677.296674	NA	MeJP	NA	NA
+PJ015509	SSTQQQ 	C25H43N9O13	677.298	NA	PeJP	NA	NA
+PJ015510	GSTEER 	C25H43N9O13	677.2981	NA	PeJP	NA	NA
+PJ015511	GSPMMR 	C26H47N9O8S2	677.2989	NA	PeJP	NA	NA
+PJ015512	NDHHR 	C26H39N13O9	677.2994	NA	PeJP	NA	NA
+3129	ester transferases inhibitor	WRMW	677.2994	celiac toxic	Inhouse_peptide	NA	peptide
+PJ015513	GVMWW 	C34H43N7O6S	677.2996	NA	PeJP	NA	NA
+PJ015514	SKEEW 	C30H43N7O11	677.3021	NA	PeJP	NA	NA
+PJ015515	LMMHF 	C31H47N7O6S2	677.3029	NA	PeJP	NA	NA
+PJ015516	AQHHW 	C31H39N11O7	677.3034	NA	PeJP	NA	NA
+PJ015517	SSPKEM 	C27H47N7O11S	677.3054	NA	PeJP	NA	NA
+MJ090060	Arsimycin 	C27H47N7O11S	677.305426	NA	MeJP	NA	NA
+PJ015518	AAKEEM 	C27H47N7O11S	677.3055	NA	PeJP	NA	NA
+MJ090061	Penfluridol; Decanoyl 	C38H45ClF5NO2	677.305898	NA	MeJP	NA	NA
+PJ015519	GLYYY 	C35H43N5O9	677.3061	NA	PeJP	NA	NA
+PJ015520	GPCKHH 	C28H43N11O7S	677.3068	NA	PeJP	NA	NA
+PJ015521	SSSNQR 	C24H43N11O12	677.3093	NA	PeJP	NA	NA
+PJ015522	MRWW 	C33H43N9O5S	677.3108	NA	PeJP	NA	NA
+PJ015523	STERW 	C29H43N9O10	677.3133	NA	PeJP	NA	NA
+MJ090062	Thiazinotrienomycin F 	C37H47N3O7S	677.313471	NA	MeJP	NA	NA
+PJ015524	DKEMR 	C26H47N9O10S	677.3167	NA	PeJP	NA	NA
+PJ015525	SSLWW 	C34H43N7O8	677.3173	NA	PeJP	NA	NA
+PJ015526	GGGPPFF 	C34H43N7O8	677.3174	NA	PeJP	NA	NA
+PJ015527	VDKMW 	C31H47N7O8S	677.3207	NA	PeJP	NA	NA
+PJ015528	AFFFF 	C39H43N5O6	677.3214	NA	PeJP	NA	NA
+PJ015529	ATTKEE 	C27H47N7O13	677.3232	NA	PeJP	NA	NA
+PJ015530	APTKMM 	C28H51N7O8S2	677.3241	NA	PeJP	NA	NA
+PJ015531	NNQFR 	C28H43N11O9	677.3245	NA	PeJP	NA	NA
+PJ015532	GGNQFR 	C28H43N11O9	677.3246	NA	PeJP	NA	NA
+PJ015533	SEMRR 	C25H47N11O9S	677.3279	NA	PeJP	NA	NA
+PJ015534	GPRYW 	C33H43N9O7	677.3286	NA	PeJP	NA	NA
+PJ015535	SVMRW 	C30H47N9O7S	677.3319	NA	PeJP	NA	NA
+PJ015536	GGCKKW 	C30H47N9O7S	677.332	NA	PeJP	NA	NA
+PJ015537	SSSLER 	C26H47N9O12	677.3344	NA	PeJP	NA	NA
+PJ015538	GGGGTTTK 	C26H47N9O12	677.3345	NA	PeJP	NA	NA
+PJ015539	LQMMR 	C27H51N9O7S2	677.3353	NA	PeJP	NA	NA
+PJ015540	TQHHR 	C27H43N13O8	677.3358	NA	PeJP	NA	NA
+PJ015541	GTTTLW 	C31H47N7O10	677.3385	NA	PeJP	NA	NA
+PJ015542	AKHHW 	C32H43N11O6	677.3398	NA	PeJP	NA	NA
+PJ015543	GTLKEM 	C28H51N7O10S	677.3418	NA	PeJP	NA	NA
+PJ015544	PCFRR 	C29H47N11O6S	677.3432	NA	PeJP	NA	NA
+PJ015545	SSSNKR 	C25H47N11O11	677.3457	NA	PeJP	NA	NA
+PJ015546	CLMRR 	C26H51N11O6S2	677.3466	NA	PeJP	NA	NA
+PJ015547	PDKRY 	C30H47N9O9	677.3497	NA	PeJP	NA	NA
+PJ015548	GTTLMR 	C27H51N9O9S	677.3531	NA	PeJP	NA	NA
+MJ090063	Antibiotic RK 75 	C35H47N7O7	677.353696	NA	MeJP	NA	NA
+PJ015549	PTKFW 	C35H47N7O7	677.3537	NA	PeJP	NA	NA
+PJ015550	TLKMW 	C32H51N7O7S	677.3571	NA	PeJP	NA	NA
+PJ015551	STTLKE 	C28H51N7O12	677.3596	NA	PeJP	NA	NA
+PJ015552	GVLKMM 	C29H55N7O7S2	677.3605	NA	PeJP	NA	NA
+PJ015553	SPRRY 	C29H47N11O8	677.3609	NA	PeJP	NA	NA
+PJ015554	GGGGKFR 	C29H47N11O8	677.361	NA	PeJP	NA	NA
+PJ015555	GSCKKR 	C26H51N11O8S	677.3643	NA	PeJP	NA	NA
+PJ015556	GLFRW 	C34H47N9O6	677.365	NA	PeJP	NA	NA
+PJ015557	PKMFR 	C31H51N9O6S	677.3683	NA	PeJP	NA	NA
+PJ015558	STTTLR 	C27H51N9O11	677.3708	NA	PeJP	NA	NA
+PJ015559	LKMMR 	C28H55N9O6S2	677.3717	NA	PeJP	NA	NA
+PJ015560	TKHHR 	C28H47N13O7	677.3722	NA	PeJP	NA	NA
+PJ015561	ASPLKY 	C32H51N7O9	677.3748	NA	PeJP	NA	NA
+PJ015562	GPTLKY 	C32H51N7O9	677.3749	NA	PeJP	NA	NA
+MJ090064	Germine; O15-(R)-2-Methylbutanoyl, O3,O7-di-Ac 	C36H55NO11	677.377511	NA	MeJP	NA	NA
+PJ015563	SSLLKM 	C29H55N7O9S	677.3782	NA	PeJP	NA	NA
+PJ015564	VLQRY 	C31H51N9O8	677.3861	NA	PeJP	NA	NA
+PJ015565	GSKKKM 	C28H55N9O8S	677.3895	NA	PeJP	NA	NA
+PJ015566	VVKFW 	C36H51N7O6	677.3901	NA	PeJP	NA	NA
+PJ015567	ALRRY 	C30H51N11O7	677.3973	NA	PeJP	NA	NA
+PJ015568	SSTKKK 	C28H55N9O10	677.4072	NA	PeJP	NA	NA
+PJ015569	PLHRR 	C29H51N13O6	677.4086	NA	PeJP	NA	NA
+PJ015570	AALLKY 	C33H55N7O8	677.4112	NA	PeJP	NA	NA
+MJ090065	Monamycins; Monamycin A 	C33H55N7O8	677.411211	NA	MeJP	NA	NA
+MJ090066	Monamycins; Monamycin B1 	C33H55N7O8	677.411211	NA	MeJP	NA	NA
+MJ090067	Monamycins; Monamycin B2 	C33H55N7O8	677.411211	NA	MeJP	NA	NA
+MJ090068	Monamycins; Monamycin B3 	C33H55N7O8	677.411211	NA	MeJP	NA	NA
+PJ015571	AAPPPIL 	C33H55N7O8	677.4113	NA	PeJP	NA	NA
+PJ015572	VLKRY 	C32H55N9O7	677.4225	NA	PeJP	NA	NA
+HMDB12331	PS(14:0/14:1(9Z))	C34H64NO10P	677.426758	NA	HMDB2010	NA	NA
+HMDB12341	PS(14:1(9Z)/14:0)	C34H64NO10P	677.426758	NA	HMDB2010	NA	NA
+PJ015573	KKKKF 	C33H59N9O6	677.4589	NA	PeJP	NA	NA
+HMDB07866	PC(14:0/14:0)	C36H72NO8P	677.499573	NA	HMDB2010	NA	NA
+HMDB08890	PE(15:0/16:0)	C36H72NO8P	677.499573	NA	HMDB2010	NA	NA
+HMDB08922	PE(16:0/15:0)	C36H72NO8P	677.499573	NA	HMDB2010	NA	NA
+MJ090069	Pamamycin; Pamamycin 677 	C40H71NO7	677.523053	NA	MeJP	NA	NA
+HMDB04955	Ceramide (d18:1/26:0)	C44H87NO3	677.668579	NA	HMDB2010	NA	NA
+HMDB11772	Cer(d18:0/26:1(17Z))	C44H87NO3	677.668579	NA	HMDB2010	NA	NA
+HMDB04955	Ceramide (d18:1/26:0)	C44H87NO3	677.66858	http://www.hmdb.ca/metabolites/HMDB04955	HMDB	NA	NA
+HMDB04955	Ceramide (d18:1/26:0)	C44H87NO3	677.66858	HMDB04955	PFEM_hmdb_metabocards_official	NA	NA
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR368	Vitamine B12 F2	NA	677.784675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR368	Vitamine B12 F2	NA	677.784675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR368	Vitamine B12 F2	NA	677.784675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR368	Vitamine B12 F2	NA	677.784675	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR368	Vitamin B12 F2	F2	677.784675	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+8297	ACE inhibitor	MNVKHWPWMK	677.82385	MH2+	Inhouse_peptide	NA	peptide
+7034	synthetic peptide from alpha-gliadin	QGSVQPQQLPQF	677.8335	MH2+	Inhouse_peptide	NA	peptide
+MJ090070	Norbadione A 	C35H18O15	678.064569	NA	MeJP	NA	NA
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	PFEM_hmdb_metabocards_urine	NA	urine
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	HMDB	NA	NA
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	Inhouse_PFEM	NA	NA
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	PFEM_hmdb_metabocards_blood	NA	blood
+PARAC031	UNKNOWN signif manip paracetamol	NA	678.0948	RT7.8	PFEM_hmdb_metabocards_official	NA	NA
+MJ090071	Auranofin 	C20H34AuO9PS	678.132666	NA	MeJP	NA	NA
+MJ090072	1,3,4-Tri-O-caffeoylquinic acid 	C34H30O15	678.15847	NA	MeJP	NA	NA
+MJ090073	1,3,5-Tricaffeoylquinic acid 	C34H30O15	678.15847	NA	MeJP	NA	NA
+PJ015574	GCCCMY 	C25H38N6O8S4	678.1634	NA	PeJP	NA	NA
+MJ090074	Lyngbyabellin B 	C28H40Cl2N4O7S2	678.171546	NA	MeJP	NA	NA
+MJ090075	Julichrome Q2.2 	C38H30O12	678.173726	NA	MeJP	NA	NA
+PJ015575	SCCDDH 	C23H34N8O12S2	678.1738	NA	PeJP	NA	NA
+FL3FAAGS0054	Apigenin 7-(4'',6''-diacetylalloside)-4'-alloside	C31H34O17	678.17959	95690-53-2	knapsack	NA	NA
+FL5FAAGS0124	Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(4,6-di-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- 4H-1-benzopyran-4-one	C31H34O17	678.17959	214351-81-2	knapsack	NA	NA
+MJ090076	4',5,7-Trihydroxyflavone; 7-O-(4,6-Di-O-acetyl-?-D-allopyranoside), 4'-O-?-D-allopyranoside 	C31H34O17	678.179599	NA	MeJP	NA	NA
+MJ090077	?-Rhamnoisorobin; 3-O-(4,6-Di-O-acetyl-?-D-glucopyranoside) 	C31H34O17	678.179599	NA	MeJP	NA	NA
+MJ090078	3,4',5,7-Tetrahydroxyflavylium(1+); 3,5-Di-O-(6-O-acetyl-?-D-glucopyranoside) 	C31H35O17(+)	678.179599	NA	MeJP	NA	NA
+PJ015576	PCDDDD 	C24H34N6O15S	678.1803	NA	PeJP	NA	NA
+PJ015577	STCCCY 	C25H38N6O10S3	678.1812	NA	PeJP	NA	NA
+MJ090079	Gnetin H; 2,3-Didehydro, 3'',4',5''-trideoxy, 3',4'',5'-trihydroxy 	C42H30O9	678.188982	NA	MeJP	NA	NA
+MJ090080	Gnetin H; 3-Epimer, 5,6-didehydro 	C42H30O9	678.188982	NA	MeJP	NA	NA
+MJ090081	?-Viniferin 	C42H30O9	678.188982	NA	MeJP	NA	NA
+MetaCyc04044	&alpha;-viniferin []	C42H30O9	678.188983	NA	metacyc	NA	NA
+PJ015578	GCCEMH 	C24H38N8O9S3	678.1924	NA	PeJP	NA	NA
+PJ015579	GCCCFF 	C29H38N6O7S3	678.1964	NA	PeJP	NA	NA
+PJ015580	GDDDEE 	C24H34N6O17	678.1981	NA	PeJP	NA	NA
+MJ090082	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090083	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090084	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090085	6-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090086	6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090087	6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090088	6-O-?-D-Glucopyranosyl-D-mannose; Pyranose-form, Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+MJ090089	Sucrose; Octa-Ac 	C28H38O19	678.200729	NA	MeJP	NA	NA
+PJ015581	CCMHW 	C28H38N8O6S3	678.2077	NA	PeJP	NA	NA
+MJ090090	Antibiotic AT 2433; Antibiotic AT 2433A1 	C34H35ClN4O9	678.209256	NA	MeJP	NA	NA
+PJ015582	SNNDDD 	C23H34N8O16	678.2093	NA	PeJP	NA	NA
+PJ015583	SSCDMH 	C24H38N8O11S2	678.2102	NA	PeJP	NA	NA
+PJ015584	DDDEW 	C28H34N6O14	678.2133	NA	PeJP	NA	NA
+PJ015585	CCQYY 	C29H38N6O9S2	678.2142	NA	PeJP	NA	NA
+FL3FCFCS0003	Linoside A	C32H38O16	678.21598	39040-82-9	knapsack	NA	NA
+FL5FAAGI0007	Hexandraside E;8-Prenylkaempferol 3,7-diglucoside;Noranhydroicaritin 3,7-diglucoside;3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone  3,7-diglucoside;3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C32H38O16	678.21598	139955-75-2	knapsack	NA	NA
+MJ090091	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3,7-Di-O-?-D-glucopyranoside 	C32H38O16	678.215985	NA	MeJP	NA	NA
+MJ090092	Isoorientin; 3',4',7-Tri-Me ether, 6''-Ac, 2''-O-?-L-rhamnopyranosyl 	C32H38O16	678.215985	NA	MeJP	NA	NA
+MJ090093	Neooleuropein; 10-Hydroxy 	C32H38O16	678.215985	NA	MeJP	NA	NA
+PJ015586	SPDDDM 	C25H38N6O14S	678.2167	NA	PeJP	NA	NA
+PJ015587	PPCCEM 	C26H42N6O9S3	678.2176	NA	PeJP	NA	NA
+MJ090094	Xylopentaose 	C25H42O21	678.221858	NA	MeJP	NA	NA
+PJ015588	GPCCNW 	C28H38N8O8S2	678.2254	NA	PeJP	NA	NA
+PJ015589	GNNDEM 	C24H38N8O13S	678.2279	NA	PeJP	NA	NA
+PJ015590	GGGGGDEM 	C24H38N8O13S	678.228	NA	PeJP	NA	NA
+PJ015591	GTCMMH 	C25H42N8O8S3	678.2288	NA	PeJP	NA	NA
+PJ015592	GSSCYY 	C29H38N6O11S	678.2319	NA	PeJP	NA	NA
+PJ015593	GSEEEE 	C25H38N6O16	678.2345	NA	PeJP	NA	NA
+PJ015594	GPDEMM 	C26H42N6O11S2	678.2353	NA	PeJP	NA	NA
+MJ090095	Tangshenoside I 	C29H42O18	678.237114	NA	MeJP	NA	NA
+PJ015595	GCNDDR 	C23H38N10O12S	678.2392	NA	PeJP	NA	NA
+PJ015596	NNDMW 	C28H38N8O10S	678.2432	NA	PeJP	NA	NA
+PJ015597	SSNNEE 	C24H38N8O15	678.2457	NA	PeJP	NA	NA
+MJ090096	Artonin C 	C40H38O10	678.246497	NA	MeJP	NA	NA
+MJ090097	Brosimone B 	C40H38O10	678.246497	NA	MeJP	NA	NA
+MJ090098	Kuwanon J 	C40H38O10	678.246497	NA	MeJP	NA	NA
+PJ015598	SSSMMH 	C25H42N8O10S2	678.2466	NA	PeJP	NA	NA
+PJ015599	SEEEW 	C29H38N6O13	678.2497	NA	PeJP	NA	NA
+PJ015600	PDMMW 	C30H42N6O8S2	678.2506	NA	PeJP	NA	NA
+MJ090099	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C33H42O15	678.25237	NA	MeJP	NA	NA
+MJ090100	Azadirachtin; O1-Detigloyl, O3-de-Ac, O3-tigloyl 	C33H42O15	678.25237	NA	MeJP	NA	NA
+MJ090101	Azadirachtin; O3-De-Ac 	C33H42O15	678.25237	NA	MeJP	NA	NA
+MJ090102	Capensolactone 1 	C33H42O15	678.25237	NA	MeJP	NA	NA
+MJ090103	Urceolatoside A; 7?-Hydroxy 	C33H42O15	678.25237	NA	MeJP	NA	NA
+FL5FABGI0028	Wanepimedoside A;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 3-rhamnosyl-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C33H42O15	678.25237	181939-44-6	knapsack	NA	NA
+PJ015601	AAEEEM 	C26H42N6O13S	678.2531	NA	PeJP	NA	NA
+PJ015602	PPTCMM 	C27H46N6O8S3	678.254	NA	PeJP	NA	NA
+PJ015603	GPCEHH 	C27H38N10O9S	678.2544	NA	PeJP	NA	NA
+PJ015604	GSSSNNN 	C23H38N10O14	678.2569	NA	PeJP	NA	NA
+PJ015605	SPCCNR 	C24H42N10O9S2	678.2578	NA	PeJP	NA	NA
+PJ015606	GCQWW 	C32H38N8O7S	678.2584	NA	PeJP	NA	NA
+PJ015607	GGACWW 	C32H38N8O7S	678.2585	NA	PeJP	NA	NA
+PJ015608	GSSNEW 	C28H38N8O12	678.2609	NA	PeJP	NA	NA
+PJ015609	GGGSSEW 	C28H38N8O12	678.261	NA	PeJP	NA	NA
+PJ015610	NMMHF 	C29H42N8O7S2	678.2618	NA	PeJP	NA	NA
+MJ090104	Strictosidine; Parent acid, 3'-?-D-glucopyranosyl 	C32H42N2O14	678.263604	NA	MeJP	NA	NA
+MJ090105	Strictosidine; Parent acid, 6'-?-D-glucopyranosyl 	C32H42N2O14	678.263604	NA	MeJP	NA	NA
+PJ015611	DEEMR 	C25H42N8O12S	678.2643	NA	PeJP	NA	NA
+MJ090106	Antibiotic TMC 95A 	C33H38N6O10	678.264941	NA	MeJP	NA	NA
+PJ015612	PDDFW 	C33H38N6O10	678.265	NA	PeJP	NA	NA
+MJ090107	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 6,8,14-tri-Ac 	C37H42O12	678.267626	NA	MeJP	NA	NA
+MJ090108	Norstaminol A 	C37H42O12	678.267626	NA	MeJP	NA	NA
+PJ015613	VDEMW 	C30H42N6O10S	678.2683	NA	PeJP	NA	NA
+PJ015614	PCHHW 	C31H38N10O6S	678.2697	NA	PeJP	NA	NA
+PJ015615	ATTEEE 	C26H42N6O15	678.2708	NA	PeJP	NA	NA
+PJ015616	APTEMM 	C27H46N6O10S2	678.2717	NA	PeJP	NA	NA
+PJ015617	GNNNNF 	C27H38N10O11	678.2722	NA	PeJP	NA	NA
+PJ015618	GSCQER 	C24H42N10O11S	678.2755	NA	PeJP	NA	NA
+PJ015619	GSNDMR 	C24H42N10O11S	678.2756	NA	PeJP	NA	NA
+PJ015620	SSNWW 	C32H38N8O9	678.2762	NA	PeJP	NA	NA
+PJ015621	SQQMW 	C29H42N8O9S	678.2796	NA	PeJP	NA	NA
+PJ015622	SSNDKE 	C25H42N8O14	678.2821	NA	PeJP	NA	NA
+PJ015623	AAQQMM 	C26H46N8O9S2	678.2829	NA	PeJP	NA	NA
+PJ015624	GGGVQMM 	C26H46N8O9S2	678.283	NA	PeJP	NA	NA
+PJ015625	DDHHR 	C26H38N12O10	678.2834	NA	PeJP	NA	NA
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR369	Vitamine B12 F3	NA	678.284375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR369	Vitamine B12 F3	NA	678.284375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR369	Vitamine B12 F3	NA	678.284375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR369	Vitamine B12 F3	NA	678.284375	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR369	Vitamin B12 F3	F3	678.284375	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ015626	AAPEEY 	C30H42N6O12	678.2861	NA	PeJP	NA	NA
+PJ015627	GPPMMF 	C31H46N6O7S2	678.287	NA	PeJP	NA	NA
+PJ015628	AEHHW 	C31H38N10O8	678.2874	NA	PeJP	NA	NA
+MJ090109	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-(2-Methylpropanoyl), 2,3,5,8,15-penta-Ac 	C34H46O14	678.288756	NA	MeJP	NA	NA
+MJ090110	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-(2-Methylpropanoyl), 2,3,5,7,15-penta-Ac 	C34H46O14	678.288756	NA	MeJP	NA	NA
+MJ090111	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, Hepta-Ac 	C34H46O14	678.288756	NA	MeJP	NA	NA
+MJ090112	Meliacarpinin; 11-Methoxy, 1-(2-methylpropanoyl), 3-Ac 	C34H46O14	678.288756	NA	MeJP	NA	NA
+MJ090113	Zaragozic acid D 	C34H46O14	678.288756	NA	MeJP	NA	NA
+PJ015629	GTLEEM 	C27H46N6O12S	678.2895	NA	PeJP	NA	NA
+PJ015630	GPLMMM 	C28H50N6O7S3	678.2903	NA	PeJP	NA	NA
+PJ015631	SCQRW 	C28H42N10O8S	678.2908	NA	PeJP	NA	NA
+PJ015632	SSSNER 	C24H42N10O13	678.2933	NA	PeJP	NA	NA
+PJ015633	NQMMR 	C25H46N10O8S2	678.2942	NA	PeJP	NA	NA
+PJ015634	GCKWW 	C33H42N8O6S	678.2948	NA	PeJP	NA	NA
+PJ015635	GSSDKW 	C29H42N8O11	678.2973	NA	PeJP	NA	NA
+PJ015636	GGGGGVEF 	C29H42N8O11	678.2974	NA	PeJP	NA	NA
+PJ015637	GSQKEM 	C26H46N8O11S	678.3007	NA	PeJP	NA	NA
+PJ015638	PVDYW 	C34H42N6O9	678.3014	NA	PeJP	NA	NA
+PJ015639	TLEMW 	C31H46N6O9S	678.3047	NA	PeJP	NA	NA
+PJ015640	CNMRR 	C24H46N12O7S2	678.3054	NA	PeJP	NA	NA
+PJ015641	STTLEE 	C27H46N6O14	678.3072	NA	PeJP	NA	NA
+PJ015642	GVLEMM 	C28H50N6O9S2	678.3081	NA	PeJP	NA	NA
+PJ015643	GSSSRW 	C28H42N10O10	678.3086	NA	PeJP	NA	NA
+PJ015644	GSTQMR 	C25H46N10O10S	678.3119	NA	PeJP	NA	NA
+PJ015645	AQQFW 	C33H42N8O8	678.3126	NA	PeJP	NA	NA
+PJ015646	SQKMW 	C30H46N8O8S	678.3159	NA	PeJP	NA	NA
+PJ015647	GGTKMW 	C30H46N8O8S	678.316	NA	PeJP	NA	NA
+PJ015648	SSTQKE 	C26H46N8O13	678.3184	NA	PeJP	NA	NA
+PJ015649	GGSTTKE 	C26H46N8O13	678.3185	NA	PeJP	NA	NA
+PJ015650	LEMMR 	C27H50N8O8S2	678.3193	NA	PeJP	NA	NA
+PJ015651	TEHHR 	C27H42N12O9	678.3198	NA	PeJP	NA	NA
+PJ015652	PVMFW 	C35H46N6O6S	678.32	NA	PeJP	NA	NA
+PJ015653	GPTLEY 	C31H46N6O11	678.3225	NA	PeJP	NA	NA
+PJ015654	GSTCRR 	C24H46N12O9S	678.3232	NA	PeJP	NA	NA
+PJ015655	VLMMW 	C32H50N6O6S2	678.3233	NA	PeJP	NA	NA
+PJ015656	GNFRW 	C32H42N10O7	678.3238	NA	PeJP	NA	NA
+3504	ACE inhibitor (bCN fr,59-64)	VYPFPG	678.324	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ015657	VVTTEM 	C28H50N6O11S	678.3258	NA	PeJP	NA	NA
+PJ015658	SSLLEM 	C28H50N6O11S	678.3259	NA	PeJP	NA	NA
+MJ090114	Akaterpin 	C36H54O8S2	678.32601	NA	MeJP	NA	NA
+MJ090115	Toxiusol 	C36H54O8S2	678.32601	NA	MeJP	NA	NA
+PJ015659	SCKRW 	C29H46N10O7S	678.3272	NA	PeJP	NA	NA
+PJ015660	SSSDKR 	C25H46N10O12	678.3297	NA	PeJP	NA	NA
+PJ015661	NKMMR 	C26H50N10O7S2	678.3306	NA	PeJP	NA	NA
+PJ015662	GSTTKW 	C30H46N8O10	678.3337	NA	PeJP	NA	NA
+PJ015663	GSKKEM 	C27H50N8O10S	678.3371	NA	PeJP	NA	NA
+PJ015664	PTLYW 	C35H46N6O8	678.3377	NA	PeJP	NA	NA
+MJ090116	Antibiotic A 54556; Antibiotic A 54556E 	C35H46N6O8	678.337712	NA	MeJP	NA	NA
+PJ015665	VMHHR 	C28H46N12O6S	678.3384	NA	PeJP	NA	NA
+PJ015666	SSSSRR 	C24H46N12O11	678.3409	NA	PeJP	NA	NA
+PJ015667	GPVLMY 	C32H50N6O8S	678.3411	NA	PeJP	NA	NA
+MJ090117	Ervafolidine; 19'R-Hydroxy 	C40H46N4O6	678.341735	NA	MeJP	NA	NA
+MJ090118	Ervafolidine; 19'S-Hydroxy, 3-epimer 	C40H46N4O6	678.341735	NA	MeJP	NA	NA
+PJ015668	ATLLMM 	C29H54N6O8S2	678.3445	NA	PeJP	NA	NA
+PJ015669	VNQRY 	C29H46N10O9	678.3449	NA	PeJP	NA	NA
+PJ015670	GGVQRY 	C29H46N10O9	678.345	NA	PeJP	NA	NA
+MJ090119	Sucrose; 1',2,3',6'-Tetrakis(3-methylbutanoyl) 	C32H54O15	678.346271	NA	MeJP	NA	NA
+MJ090120	Sucrose; 2,3',6'-Tris(3-methylbutanoyl), 1'-(2S-methylbutanoyl) 	C32H54O15	678.346271	NA	MeJP	NA	NA
+MJ090121	Sucrose; 2,3,4-Tris(3-methylpentanoyl)(S-), 6-Ac 	C32H54O15	678.346271	NA	MeJP	NA	NA
+PJ015671	GSTKMR 	C26H50N10O9S	678.3483	NA	PeJP	NA	NA
+PJ015672	AQKFW 	C34H46N8O7	678.349	NA	PeJP	NA	NA
+PJ015673	SKKMW 	C31H50N8O7S	678.3523	NA	PeJP	NA	NA
+PJ015674	GPCKKF 	C31H50N8O7S	678.3524	NA	PeJP	NA	NA
+PJ015675	SSTKKE 	C27H50N8O12	678.3548	NA	PeJP	NA	NA
+PJ015676	AAKKMM 	C28H54N8O7S2	678.3557	NA	PeJP	NA	NA
+PJ015677	GQRRY 	C28H46N12O8	678.3562	NA	PeJP	NA	NA
+PJ015678	AALLEY 	C32H50N6O10	678.3589	NA	PeJP	NA	NA
+MJ090122	Bastaxanthol; 16'-Deoxy, 3'?-alcohol, 3-O-sulfate 	C40H54O7S	678.359024	NA	MeJP	NA	NA
+MJ090123	1,3,14,20-Tetrahydroxywitha-5,24-dienolide, 3-O-?-D-Glucopyranoside, 1-Ac 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090124	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro, 2-O-?-D-glucopyranoside 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090125	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 2-O-?-D-Glucopyranoside 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090126	2,3,7,8,10,11-Hexahydroxy-4-guaien-12,6-olide, 2-(6-Methyloctanoyl), 3-angeloyl, 8-(2-methylbutanoyl), 10-Ac 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090127	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090128	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-sarmentoside] 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090129	Ceanothic acid; 27-Carboxylic acid, 28-O-?-D-glucopyranosyl ester 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090130	Fevicordin F; O25-Me, 2-O-?-D-glucopyranoside 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090131	Gitaloxigenin; 3-O-[D-Digitoxopyranosyl-(1?4)-D-digitoxopyranoside] 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090132	Miyakolide 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090133	Oleagenin; 3-O-[?-D-Glucopyranosyl(1?4)-D-diginoside] 	C36H54O12	678.361527	NA	MeJP	NA	NA
+MJ090134	Premyrsinol; 5-(2-Methylbutanoyl), 17-(2-methylpropanoyl), 3-propanoyl, 7,13-di-Ac 	C36H54O12	678.361527	NA	MeJP	NA	NA
+PJ015679	TTTLLM 	C29H54N6O10S	678.3622	NA	PeJP	NA	NA
+MJ090135	Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-4-O-sulfo-?-D-xylopyranoside) 	C33H58O12S	678.364898	NA	MeJP	NA	NA
+MJ090136	Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-5-sulfato-?-D-xylofuranoside) 	C33H58O12S	678.364898	NA	MeJP	NA	NA
+MJ090137	Cholestane-3,6,8,15,24-pentol, 24-(3-O-Methyl-5-O-sulfo-?-L-arabinofuranoside) 	C33H58O12S	678.364898	NA	MeJP	NA	NA
+MJ090138	Cholestane-3,6,8,15,24-pentol, 24-O-(3-O-Methyl-?-L-arabinofuranoside), 6-sulfate 	C33H58O12S	678.364898	NA	MeJP	NA	NA
+PJ015680	SSTTKR 	C26H50N10O11	678.3661	NA	PeJP	NA	NA
+PJ015681	PNHRR 	C27H46N14O7	678.3674	NA	PeJP	NA	NA
+3562	NA	RKNVY	678.3689	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ015682	VLERY 	C31H50N8O9	678.3701	NA	PeJP	NA	NA
+PJ015683	ATTKKM 	C28H54N8O9S	678.3735	NA	PeJP	NA	NA
+PJ015684	VVLYW 	C36H50N6O7	678.3741	NA	PeJP	NA	NA
+PJ015685	GVLLMF 	C33H54N6O7S	678.3775	NA	PeJP	NA	NA
+3138	esculentin	RTGIDIAGCKIKGEC	678.3784	MH2+	Inhouse_peptide	NA	peptide
+PJ015686	VNKRY 	C30H50N10O8	678.3813	NA	PeJP	NA	NA
+PJ015687	GGAPLKH 	C30H50N10O8	678.3814	NA	PeJP	NA	NA
+MJ090139	Gingerglycolipid A; 15',16'-Dihydro 	C33H58O14	678.382656	NA	MeJP	NA	NA
+PJ015688	AKKFW 	C35H50N8O6	678.3854	NA	PeJP	NA	NA
+PJ015689	LLMFR 	C32H54N8O6S	678.3887	NA	PeJP	NA	NA
+PJ015690	TTTTKK 	C28H54N8O11	678.3912	NA	PeJP	NA	NA
+PJ015691	GKRRY 	C29H50N12O7	678.3926	NA	PeJP	NA	NA
+PJ015692	SVVVLY 	C33H54N6O9	678.3952	NA	PeJP	NA	NA
+PJ015693	GTLLLY 	C33H54N6O9	678.3953	NA	PeJP	NA	NA
+MJ090140	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090141	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-L-arabinopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090142	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090143	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-L-arabinopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090144	16,23:22,25-Diepoxycycloart-7-ene-3,12,23,24-tetrol, 7?,8-Dihydro, 12-Ac, 3-O-?-D-xylopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090145	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 23-Me ester 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090146	24,25-Epoxy-3,7,15,23-tetrahydroxycycloartan-16-one, 3-O-?-D-Xylopyranoside, 23-Ac 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090147	24,28-Epoxystigmasta-8,9(11)-diene-3,16,23,25-tetrol, 3-O-?-D-Glucopyranoside, 23-Ac 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090148	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090149	3,19-Dihydroxy-12-ursene-24,28-dioic acid, 28-O-(6-O-Methyl-?-D-glucopyranosyl) ester 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090150	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 30-Me ester 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090151	Cimigenol; 12?-Acetoxy, 3-O-?-L-arabinopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090152	Cimigenol; 1?-Hydroxy, 3-O-xylopyranoside, 25-Ac 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090153	Cimigenol; 7?-Hydroxy, 3-O-?-D-xylopyranoside, 25-Ac 	C37H58O11	678.397912	NA	MeJP	NA	NA
+MJ090154	Shengmanol; 1?-Hydroxy, 23-Ac, 3-O-?-D-xylopyranoside 	C37H58O11	678.397912	NA	MeJP	NA	NA
+PJ015694	LQKKY 	C32H54N8O8	678.4065	NA	PeJP	NA	NA
+MJ090155	Sarcophytoic acid; Me ester 	C41H58O8	678.413168	NA	MeJP	NA	NA
+MJ090156	Presecamine; Dihydro 	C42H54N4O4	678.414506	NA	MeJP	NA	NA
+MJ090157	Secamine; 15,20-Dihydro/15',20'-dihydro 	C42H54N4O4	678.414506	NA	MeJP	NA	NA
+PJ015695	TKKFR 	C31H54N10O7	678.4177	NA	PeJP	NA	NA
+MJ090158	Iejimalide A 	C40H58N2O7	678.424402	NA	MeJP	NA	NA
+MJ090159	22,25-Epoxycycloartane-3,16,24-triol, 3-O-?-D-Glucopyranoside, 24-Ac 	C38H62O10	678.434298	NA	MeJP	NA	NA
+MJ090160	Cumingianoside F 	C38H62O10	678.434298	NA	MeJP	NA	NA
+MJ090161	Cumingianoside G; 25-Deoxy, 25,26-didehydro, 3-Ac 	C38H62O10	678.434298	NA	MeJP	NA	NA
+PJ015696	LKKKY 	C33H58N8O7	678.4429	NA	PeJP	NA	NA
+MJ090162	Variabilin, 18-O-(11-Methyloctadecanoyl) 	C44H70O5	678.522325	NA	MeJP	NA	NA
+MJ090163	1-Heptacosene-4,6,8,10,12,14,16,18,20,22-decol, Deca-Me ether 	C37H74O10	678.528198	NA	MeJP	NA	NA
+MJ090164	12-Oleanene-3,11-diol, 11-Ketone, 3-hexadecanoyl 	C46H78O3	678.595096	NA	MeJP	NA	NA
+MJ090165	12-Ursene-3,11-diol, 11-Ketone, 3-hexadecanoyl 	C46H78O3	678.595096	NA	MeJP	NA	NA
+MJ090166	Marsformoxide A; Deacetyl, 3-O-palmitoyl 	C46H78O3	678.595096	NA	MeJP	NA	NA
+HMDB05217	DG(20:0/20:1(11Z)/0:0)[iso2]	C43H82O5	678.61621	http://www.hmdb.ca/metabolites/HMDB05217	HMDB	NA	NA
+HMDB05217	DG(20:0/20:1(11Z)/0:0)[iso2]	C43H82O5	678.61621	HMDB05217	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07123	DG(16:0/24:1(15Z)/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07151	DG(16:1(9Z)/24:0/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07174	DG(18:0/22:1(13Z)/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07202	DG(18:1(11Z)/22:0/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07231	DG(18:1(9Z)/22:0/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07369	DG(20:0/20:1(11Z)/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07397	DG(20:1(11Z)/20:0/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07594	DG(22:0/18:1(11Z)/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07595	DG(22:0/18:1(9Z)/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07622	DG(22:1(13Z)/18:0/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07795	DG(24:0/16:1(9Z)/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB07823	DG(24:1(15Z)/16:0/0:0)	C43H82O5	678.616211	NA	HMDB2010	NA	NA
+HMDB06732	Cholesteryl eicosenoic acid	C47H82O2	678.63147	http://www.hmdb.ca/metabolites/HMDB06732	HMDB	NA	NA
+HMDB06732	Cholesteryl eicosenoic acid	C47H82O2	678.63147	HMDB06732	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05193	CE(20:1(11Z))	C47H82O2	678.63147	NA	HMDB2010	NA	NA
+MJ090167	12-Oleanen-3-ol, O-Heptadecanoyl 	C47H82O2	678.631481	NA	MeJP	NA	NA
+MJ090168	20(29)-Lupen-3-ol, Heptadecanoyl 	C47H82O2	678.631481	NA	MeJP	NA	NA
+MJ090169	24-Methylcycloart-25-en-3-ol, Hexadecanoyl 	C47H82O2	678.631481	NA	MeJP	NA	NA
+MJ090170	Stigmasta-5,22-dien-3-ol, Octadecanoyl 	C47H82O2	678.631481	NA	MeJP	NA	NA
+MJ090171	20(29)-Lupen-3-ol, Octadecyl ether 	C48H86O	678.667867	NA	MeJP	NA	NA
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR370	Vitamine B12 F4	NA	678.796275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR370	Vitamine B12 F4	NA	678.796275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR370	Vitamine B12 F4	NA	678.796275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR370	Vitamine B12 F4	NA	678.796275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR370	Vitamin B12 F4	F4	678.796275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ090172	UDP-N-acetylmuramate 	C20H31N3O19P2	679.102698	NA	MeJP	NA	NA
+MetaCyc04045	UDP-N-acetylmuramate [uridine diphosphate N-acetylmuramic acid;UDP-N-acetylmuramic acid;UDP-N-acetyl-D-muramate;UDP-MurNAc;UDP-N-acetylmuramoyl;]	C20H31N3O19P2	679.102699	NA	metacyc	NA	NA
+C01050	UDP-N-acetylmuramate	C20H31N3O19P2	679.1027	NA	KEGG	NA	NA
+HMDB11720	UDP-N-acetylmuraminate	C20H31N3O19P2	679.102722	NA	HMDB2010	NA	NA
+FL7AAAGL0031	Pelargonidin 3,5-di-(6-acetylglucoside)	C31H35O17	679.18742	161992-99-0	knapsack	NA	NA
+PJ015697	SCCCQH 	C23H37N9O9S3	679.1877	NA	PeJP	NA	NA
+PJ015698	SNDDDD 	C23H33N7O17	679.1933	NA	PeJP	NA	NA
+PJ015699	PCCNDE 	C24H37N7O12S2	679.1942	NA	PeJP	NA	NA
+PJ015700	CCEYY 	C29H37N5O10S2	679.1982	NA	PeJP	NA	NA
+PJ015701	GSSSCCH 	C23H37N9O11S2	679.2054	NA	PeJP	NA	NA
+PJ015702	GPCCDW 	C28H37N7O9S2	679.2094	NA	PeJP	NA	NA
+MJ090173	Mayotamide A; Lower homologue 	C29H41N7O4S4	679.210285	NA	MeJP	NA	NA
+PJ015703	ACNDEE 	C24H37N7O14S	679.2119	NA	PeJP	NA	NA
+PJ015704	GNDDEM 	C24H37N7O14S	679.212	NA	PeJP	NA	NA
+PJ015705	GPPTCCC 	C25H41N7O9S3	679.2128	NA	PeJP	NA	NA
+PJ015706	GCCNHF 	C27H37N9O8S2	679.2207	NA	PeJP	NA	NA
+PJ015707	GCDDDR 	C23H37N9O13S	679.2232	NA	PeJP	NA	NA
+PJ015708	SCCCKH 	C24H41N9O8S3	679.224	NA	PeJP	NA	NA
+PJ015709	NDDMW 	C28H37N7O11S	679.2272	NA	PeJP	NA	NA
+PJ015710	SSNDEE 	C24H37N7O16	679.2297	NA	PeJP	NA	NA
+PJ015711	SPCNEM 	C25H41N7O11S2	679.2306	NA	PeJP	NA	NA
+PJ015712	MMMMH 	C26H45N7O6S4	679.2314	NA	PeJP	NA	NA
+PJ015713	TCMYY 	C30H41N5O9S2	679.2346	NA	PeJP	NA	NA
+PJ015714	GSCNNW 	C27H37N9O10S	679.2384	NA	PeJP	NA	NA
+PJ015715	GGGGGSCW 	C27H37N9O10S	679.2385	NA	PeJP	NA	NA
+PJ015716	GSSSNND 	C23H37N9O15	679.2409	NA	PeJP	NA	NA
+PJ015717	GGGGGSSSD 	C23H37N9O15	679.241	NA	PeJP	NA	NA
+PJ015718	SPCCDR 	C24H41N9O10S2	679.2418	NA	PeJP	NA	NA
+PJ015719	GCEWW 	C32H37N7O8S	679.2425	NA	PeJP	NA	NA
+PJ015720	GSSDEW 	C28H37N7O13	679.245	NA	PeJP	NA	NA
+PJ015721	GSPCMW 	C29H41N7O8S2	679.2458	NA	PeJP	NA	NA
+PJ015722	GSQEEM 	C25H41N7O13S	679.2483	NA	PeJP	NA	NA
+PJ015723	GDYYY 	C33H37N5O11	679.249	NA	PeJP	NA	NA
+PJ015724	GPNMMM 	C26H45N7O8S3	679.2492	NA	PeJP	NA	NA
+PJ015725	GCCNQR 	C23H41N11O9S2	679.253	NA	PeJP	NA	NA
+PJ015726	GGGCCQR 	C23H41N11O9S2	679.2531	NA	PeJP	NA	NA
+MJ090174	Cineromycin A 	C37H42ClNO9	679.254809	NA	MeJP	NA	NA
+PJ015727	GNNNDF 	C27H37N9O12	679.2562	NA	PeJP	NA	NA
+PJ015728	CWWW 	C36H37N7O5S	679.2577	NA	PeJP	NA	NA
+PJ015729	GSDDMR 	C24H41N9O12S	679.2596	NA	PeJP	NA	NA
+PJ015730	SSDWW 	C32H37N7O10	679.2602	NA	PeJP	NA	NA
+PJ015731	APCCMR 	C25H45N9O7S3	679.2604	NA	PeJP	NA	NA
+MJ090175	Ulicyclamide; 10,11?-Dihydro, 7,14-diepimer 	C33H41N7O5S2	679.261058	NA	MeJP	NA	NA
+MJ090176	Ulicyclamide; 10,11?-Dihydro, 7,32-diepimer 	C33H41N7O5S2	679.261058	NA	MeJP	NA	NA
+MJ090177	Altromycin H 	C36H41NO12	679.262875	NA	MeJP	NA	NA
+PJ015732	SQEMW 	C29H41N7O10S	679.2636	NA	PeJP	NA	NA
+PJ015733	CHHHF 	C30H37N11O6S	679.2649	NA	PeJP	NA	NA
+PJ015734	SSTQEE 	C25H41N7O15	679.2661	NA	PeJP	NA	NA
+PJ015735	AAQEMM 	C26H45N7O10S2	679.267	NA	PeJP	NA	NA
+PJ015736	GSNEHH 	C26H37N11O11	679.2674	NA	PeJP	NA	NA
+PJ015737	GMFYY 	C34H41N5O8S	679.2676	NA	PeJP	NA	NA
+PJ015738	SSCNNR 	C23H41N11O11S	679.2708	NA	PeJP	NA	NA
+PJ015739	SCERW 	C28H41N9O9S	679.2748	NA	PeJP	NA	NA
+PJ015740	SSSDER 	C24H41N9O14	679.2773	NA	PeJP	NA	NA
+PJ015741	NEMMR 	C25H45N9O9S2	679.2782	NA	PeJP	NA	NA
+PJ015742	GTMWW 	C33H41N7O7S	679.2788	NA	PeJP	NA	NA
+PJ015743	GAPCFW 	C33H41N7O7S	679.2789	NA	PeJP	NA	NA
+PJ015744	GSTTEW 	C29H41N7O12	679.2813	NA	PeJP	NA	NA
+PJ015745	GGGPTEY 	C29H41N7O12	679.2814	NA	PeJP	NA	NA
+PJ015746	VNMMW 	C30H45N7O7S2	679.2822	NA	PeJP	NA	NA
+PJ015747	SNHHW 	C30H37N11O8	679.2827	NA	PeJP	NA	NA
+PJ015748	GSKEEM 	C26H45N7O12S	679.2847	NA	PeJP	NA	NA
+PJ015749	ATYYY 	C34H41N5O10	679.2853	NA	PeJP	NA	NA
+PJ015750	STFYY 	C34H41N5O10	679.2854	NA	PeJP	NA	NA
+PJ015751	APCKMM 	C27H49N7O7S3	679.2856	NA	PeJP	NA	NA
+PJ015752	QQMHH 	C27H41N11O8S	679.286	NA	PeJP	NA	NA
+PJ015753	GAQMHH 	C27H41N11O8S	679.2861	NA	PeJP	NA	NA
+PJ015754	CDMRR 	C24H45N11O8S2	679.2894	NA	PeJP	NA	NA
+PJ015755	NQQQY 	C28H41N9O11	679.2926	NA	PeJP	NA	NA
+PJ015756	CCLRW 	C29H45N9O6S2	679.2934	NA	PeJP	NA	NA
+PJ015757	GMMRW 	C29H45N9O6S2	679.2935	NA	PeJP	NA	NA
+PJ015758	ASSEMR 	C25H45N9O11S	679.2959	NA	PeJP	NA	NA
+PJ015759	GSTEMR 	C25H45N9O11S	679.296	NA	PeJP	NA	NA
+PJ015760	STTWW 	C33H41N7O9	679.2966	NA	PeJP	NA	NA
+PJ015761	CQHHR 	C26H41N13O7S	679.2973	NA	PeJP	NA	NA
+MJ090178	Rifamycin S; 8-Deoxy 	C37H45NO11	679.299261	NA	MeJP	NA	NA
+PJ015762	SKEMW 	C30H45N7O9S	679.3	NA	PeJP	NA	NA
+PJ015763	GFFFY 	C38H41N5O7	679.3006	NA	PeJP	NA	NA
+PJ015764	SSTKEE 	C26H45N7O14	679.3025	NA	PeJP	NA	NA
+PJ015765	AAKEMM 	C27H49N7O9S2	679.3033	NA	PeJP	NA	NA
+PJ015766	GVDKMM 	C27H49N7O9S2	679.3034	NA	PeJP	NA	NA
+PJ015767	NNNRY 	C27H41N11O10	679.3038	NA	PeJP	NA	NA
+PJ015768	GDFRW 	C32H41N9O8	679.3078	NA	PeJP	NA	NA
+PJ015769	STMRW 	C29H45N9O8S	679.3112	NA	PeJP	NA	NA
+PJ015770	AAFWW 	C37H41N7O6	679.3119	NA	PeJP	NA	NA
+MJ090179	Callipeltoside B 	C35H50ClNO10	679.312324	NA	MeJP	NA	NA
+PJ015771	SSTTER 	C25H45N9O13	679.3137	NA	PeJP	NA	NA
+PJ015772	DKMMR 	C26H49N9O8S2	679.3146	NA	PeJP	NA	NA
+PJ015773	GSSHHR 	C26H41N13O9	679.3151	NA	PeJP	NA	NA
+PJ015774	PCKFW 	C34H45N7O6S	679.3152	NA	PeJP	NA	NA
+PJ015775	SSSTLW 	C30H45N7O11	679.3177	NA	PeJP	NA	NA
+PJ015776	CLKMW 	C31H49N7O6S2	679.3186	NA	PeJP	NA	NA
+MJ090180	Tetrin A; 5-Deoxy, 4,5-epoxide 	C34H49NO13	679.32039	NA	MeJP	NA	NA
+PJ015777	ATTKEM 	C27H49N7O11S	679.3211	NA	PeJP	NA	NA
+PJ015778	QKMHH 	C28H45N11O7S	679.3224	NA	PeJP	NA	NA
+PJ015779	APPCHR 	C28H45N11O7S	679.3225	NA	PeJP	NA	NA
+PJ015780	SMMRR 	C25H49N11O7S2	679.3258	NA	PeJP	NA	NA
+PJ015781	VNERY 	C29H45N9O10	679.329	NA	PeJP	NA	NA
+MJ090181	Thiazinotrienomycin F; 32,33-Dihydro 	C37H49N3O7S	679.329121	NA	MeJP	NA	NA
+PJ015782	LHHHH 	C30H41N13O6	679.3303	NA	PeJP	NA	NA
+PJ015783	SSSLMR 	C26H49N9O10S	679.3323	NA	PeJP	NA	NA
+PJ015784	SPKYW 	C34H45N7O8	679.333	NA	PeJP	NA	NA
+PJ015785	CKHHR 	C27H45N13O6S	679.3337	NA	PeJP	NA	NA
+PJ015786	AAPKMY 	C31H49N7O8S	679.3364	NA	PeJP	NA	NA
+PJ015787	SSSSSLL 	C27H49N7O13	679.3388	NA	PeJP	NA	NA
+PJ015788	TTTTKE 	C27H49N7O13	679.3389	NA	PeJP	NA	NA
+PJ015789	GTLKMM 	C28H53N7O8S2	679.3397	NA	PeJP	NA	NA
+PJ015790	GERRY 	C28H45N11O9	679.3402	NA	PeJP	NA	NA
+PJ015791	GVRYW 	C33H45N9O7	679.3442	NA	PeJP	NA	NA
+PJ015792	VQMFR 	C30H49N9O7S	679.3476	NA	PeJP	NA	NA
+PJ015793	TTTTTR 	C26H49N9O12	679.3501	NA	PeJP	NA	NA
+PJ015794	ACCKKK 	C27H53N9O7S2	679.351	NA	PeJP	NA	NA
+8086	peptide derived from tuna cooking juice	PKAVHE	679.351	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ015795	PDHRR 	C27H45N13O8	679.3514	NA	PeJP	NA	NA
+3054	NA	RKDVY	679.3529	celiac toxic	Inhouse_peptide	NA	peptide
+PJ015796	LQKEY 	C31H49N7O10	679.3541	NA	PeJP	NA	NA
+3661	NA	LQGCTLRAWRAGMC	679.3552	MH2+	Inhouse_peptide	NA	peptide
+PJ015797	RRYW 	C32H45N11O6	679.3555	NA	PeJP	NA	NA
+PJ015798	STTLKM 	C28H53N7O10S	679.3575	NA	PeJP	NA	NA
+PJ015799	AMFRR 	C29H49N11O6S	679.3588	NA	PeJP	NA	NA
+PJ015800	TLQRY 	C30H49N9O9	679.3653	NA	PeJP	NA	NA
+PJ015801	VDKRY 	C30H49N9O9	679.3654	NA	PeJP	NA	NA
+PJ015802	SSCKKK 	C27H53N9O9S	679.3687	NA	PeJP	NA	NA
+MJ090182	Glycylalanylprolylmethionylphenylalanylvalinamide; 2-L-Valine, 4-L-tyrosine analogue 	C35H49N7O7	679.369346	NA	MeJP	NA	NA
+PJ015803	ALKYW 	C35H49N7O7	679.3694	NA	PeJP	NA	NA
+PJ015804	AALKMF 	C32H53N7O7S	679.3728	NA	PeJP	NA	NA
+PJ015805	SVRRY 	C29H49N11O8	679.3766	NA	PeJP	NA	NA
+PJ015806	PLKHW 	C34H49N9O6	679.3806	NA	PeJP	NA	NA
+PJ015807	VKMFR 	C31H53N9O6S	679.384	NA	PeJP	NA	NA
+MJ090183	Nodulisporic acid 	C43H53NO6	679.387288	NA	MeJP	NA	NA
+PJ015808	LKKEY 	C32H53N7O9	679.3905	NA	PeJP	NA	NA
+PJ015809	TLKRY 	C31H53N9O8	679.4017	NA	PeJP	NA	NA
+PJ015810	GGALLLH 	C31H53N9O8	679.4018	NA	PeJP	NA	NA
+PJ015811	AALLHR 	C30H53N11O7	679.413	NA	PeJP	NA	NA
+PJ015812	VLHRR 	C29H53N13O6	679.4242	NA	PeJP	NA	NA
+PJ015813	PPLLLQ 	C33H57N7O8	679.4269	NA	PeJP	NA	NA
+MJ090184	3,23,28-Trihydroxy-30-norlanost-8-en-29-oic acid, 3-(N-Acetyl-?-D-glucosaminide) 	C37H61NO10	679.429547	NA	MeJP	NA	NA
+PJ015814	PPVVLR 	C32H57N9O7	679.4381	NA	PeJP	NA	NA
+HMDB12330	PS(14:0/14:0)	C34H66NO10P	679.442444	NA	HMDB2010	NA	NA
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR533	14 :0 PS F1	NA	679.442925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ015815	PPLLLK 	C34H61N7O7	679.4633	NA	PeJP	NA	NA
+HMDB11771	Cer(d18:0/26:0)	C44H89NO3	679.684265	NA	HMDB2010	NA	NA
+3994	f(1-11) of bovine lactoferrin 	APRKNVRWCTI	679.85295	MH2+	Inhouse_peptide	NA	peptide
+7726	NA	RIGKMVSFPRIG	679.8832	MH2+	Inhouse_peptide	NA	peptide
+MJ090185	Swertipunicoside; 3-O-De-Me 	C32H24O17	680.101349	NA	MeJP	NA	NA
+PJ015816	CCCCCF 	C24H36N6O7S5	680.1249	NA	PeJP	NA	NA
+PJ015817	SCCCCY 	C24H36N6O9S4	680.1427	NA	PeJP	NA	NA
+FL3FACGS0053	Luteolin 7-(6''-malonylneohesperidoside)	C30H32O18	680.15886	127350-65-6	knapsack	NA	NA
+FL5FAAGS0113	Kaempferol 3-(6G-malonylneohesperidoside);3-[[6-O-(Carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C30H32O18	680.15886	528606-92-0	knapsack	NA	NA
+MJ090186	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-6''-O-malonyl-?-D-glucopyranoside] 	C30H32O18	680.158864	NA	MeJP	NA	NA
+MJ090187	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C30H33O18(+)	680.158864	NA	MeJP	NA	NA
+MJ090188	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C30H33O18(+)	680.158864	NA	MeJP	NA	NA
+MJ090189	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C30H33O18(+)	680.158864	NA	MeJP	NA	NA
+MJ090190	N-[5-[3-[(4-Chlorophenyl)sulfonyl]propyl]-2-(1H-tetrazol-5-ylmethoxy)phenyl]-3-[[4-(1,1-dimethylethyl)-2-thiazolyl]methoxy]benzamide 	C32H33ClN6O5S2	680.164237	NA	MeJP	NA	NA
+PJ015818	SCCCEH 	C23H36N8O10S3	680.1717	NA	PeJP	NA	NA
+MJ090191	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[4-Hydroxycinnamoyl-(?6)-2,4-di-O-acetyl-?-D-glucopyranoside] 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090192	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[4-Hydroxycinnamoyl-(?6)-3,4-di-O-acetyl-?-D-glucopyranoside] 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090193	2',4',5,5',6,7-Hexahydroxyisoflavone; 4',5'-Methylene, 2',5,6-tri-Me ether, 7-O-(2-O-p-coumaroyl-?-D-glucopyranoside) 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090194	2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 2'-O-(2,6-Di-O-benzoyl-?-D-glucopyranoside) 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090195	2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 2'-O-(4,6-Di-O-benzoyl-?-D-glucopyranoside) 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090196	2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 6-Benzoyl, 2'-O-(6-O-benzoyl-?-D-glucopyranoside) 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090197	Eumitrin A1 	C34H32O15	680.17412	NA	MeJP	NA	NA
+MJ090198	Neosartorin 	C34H32O15	680.17412	NA	MeJP	NA	NA
+FL1C3CGS0008	Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside)	C34H32O15	680.17412	118853-82-0	knapsack	NA	NA
+FL1C3CGS0009	Okanin 4'-(3'',4''-diacetyl-6''-p-coumarylglucoside)	C34H32O15	680.17412	118853-81-9	knapsack	NA	NA
+MJ090199	2-Methyl-5-(1,2,3,4-tetrahydroxybutyl)-3-furancarboxylic acid, Tetrakis(3-pyridinecarbonyl), Me ester 	C35H28N4O11	680.175457	NA	MeJP	NA	NA
+PJ015819	SDDDDD 	C23H32N6O18	680.1773	NA	PeJP	NA	NA
+PJ015820	PCCDDE 	C24H36N6O13S2	680.1782	NA	PeJP	NA	NA
+MJ090200	Cercosporin; 2'-Ac, 2''-benzoyl 	C38H32O12	680.189376	NA	MeJP	NA	NA
+PJ015821	GCCMMH 	C24H40N8O7S4	680.1903	NA	PeJP	NA	NA
+PJ015822	GDDDEM 	C24H36N6O15S	680.196	NA	PeJP	NA	NA
+PJ015823	CCNNNN 	C22H36N10O11S2	680.2007	NA	PeJP	NA	NA
+MJ090201	?-D-Glucopyranuronosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-galactose 	C24H40O22	680.201122	NA	MeJP	NA	NA
+C10249	Canaliculatol	C42H32O9	680.2046	NA	KEGG	NA	NA
+C10252	Copalliferol B	C42H32O9	680.2046	NA	KEGG	NA	NA
+MJ090202	Ampelopsin C 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090203	Ampelopsin G 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090204	Amurensin G 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090205	Copalliferol A 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090206	Copalliferol B 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090207	Distichol 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090208	Gnetin E 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090209	Gnetin H 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090210	Gnetin I 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090211	Leachianol A 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090212	Leachianol B 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090213	Leachianol E 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090214	Miyabenol C 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090215	Parthenocissin B 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090216	Stemonoporol 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090217	Suffruticosol A 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090218	Suffruticosol C 	C42H32O9	680.204632	NA	MeJP	NA	NA
+MJ090219	Vitisin E 	C42H32O9	680.204632	NA	MeJP	NA	NA
+PJ015824	GCCDHF 	C27H36N8O9S2	680.2047	NA	PeJP	NA	NA
+PJ015825	SCNNDE 	C23H36N8O14S	680.2072	NA	PeJP	NA	NA
+PJ015826	STCCMH 	C24H40N8O9S3	680.2081	NA	PeJP	NA	NA
+PJ015827	DDDMW 	C28H36N6O12S	680.2112	NA	PeJP	NA	NA
+PJ015828	SSDDEE 	C24H36N6O17	680.2137	NA	PeJP	NA	NA
+PJ015829	SPCDEM 	C25H40N6O12S2	680.2146	NA	PeJP	NA	NA
+PJ015830	PPCCMM 	C26H44N6O7S4	680.2155	NA	PeJP	NA	NA
+MJ090220	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C28H40O19	680.216379	NA	MeJP	NA	NA
+MJ090221	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl) 	C28H40O19	680.216379	NA	MeJP	NA	NA
+PJ015831	GSCNDW 	C27H36N8O11S	680.2225	NA	PeJP	NA	NA
+PJ015832	GSSSNDD 	C23H36N8O16	680.225	NA	PeJP	NA	NA
+MJ090222	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 9-O-(4-Hydroxy-E-cinnamoyl), 9'-O-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C39H36O11	680.225761	NA	MeJP	NA	NA
+PJ015833	GNNDMM 	C24H40N8O11S2	680.2258	NA	PeJP	NA	NA
+PJ015834	GPDDDY 	C28H36N6O14	680.229	NA	PeJP	NA	NA
+PJ015835	PPCCDF 	C29H40N6O9S2	680.2298	NA	PeJP	NA	NA
+FL3FAGGI0001	3-(3-Methylbutyl)tricetin 5-neohesperidoside	C32H40O16	680.23163	97165-53-2	knapsack	NA	NA
+MJ090223	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-2-O-acetyl-?-D-glucopyranoside] 	C32H40O16	680.231635	NA	MeJP	NA	NA
+MJ090224	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3-O-?-L-Rhamnopyranoside, 3''-O-?-D-glucopyranoside 	C32H40O16	680.231635	NA	MeJP	NA	NA
+MJ090225	Asplenetin; 5-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H40O16	680.231635	NA	MeJP	NA	NA
+MJ090226	Catalpol; 6-O-(2-E-Cinnamoyl-3-O-acetyl-?-L-rhamnopyranoside) 	C32H40O16	680.231635	NA	MeJP	NA	NA
+MJ090227	Catalpol; 6-O-(3-O-Acetyl-4-O-E-cinnamoyl-?-L-rhamnopyranoside) 	C32H40O16	680.231635	NA	MeJP	NA	NA
+MJ090228	Catalpol; 6-O-(3-O-Cinnamoyl-2-O-acetyl-?-L-rhamnopyranoside) 	C32H40O16	680.231635	NA	MeJP	NA	NA
+MJ090229	Sweroside; 6'-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-L-rhamnopyranosyl] 	C32H40O16	680.231635	NA	MeJP	NA	NA
+PJ015836	SVCDEE 	C25H40N6O14S	680.2323	NA	PeJP	NA	NA
+PJ015837	GSEEEM 	C25H40N6O14S	680.2324	NA	PeJP	NA	NA
+PJ015838	GPDMMM 	C26H44N6O9S3	680.2332	NA	PeJP	NA	NA
+PJ015839	GCCNER 	C23H40N10O10S2	680.2371	NA	PeJP	NA	NA
+MJ090230	chiro-Inositol, 3-Me, 2-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C25H44O21	680.237508	NA	MeJP	NA	NA
+MJ090231	chiro-Inositol, 4-Me, 2-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C25H44O21	680.237508	NA	MeJP	NA	NA
+PJ015840	GNNDDF 	C27H36N8O13	680.2402	NA	PeJP	NA	NA
+MJ090232	3''''-Benzyl-2'''''-hydroxyuvarinol 	C43H36O8	680.241018	NA	MeJP	NA	NA
+MJ090233	5''''-Benzyl-2'''''-hydroxyisouvarinol A 	C43H36O8	680.241018	NA	MeJP	NA	NA
+MJ090234	5''-Benzyl-2'''-hydroxyisouvarinol B 	C43H36O8	680.241018	NA	MeJP	NA	NA
+PJ015841	CNQMW 	C28H40N8O8S2	680.2411	NA	PeJP	NA	NA
+MJ090235	Tubocurarine(2+), Dichloride 	C37H42Cl2N2O6	680.241992	NA	MeJP	NA	NA
+MJ090236	Temoporfin 	C44H32N4O4	680.242355	NA	MeJP	NA	NA
+C11730	Temoporfin	C44H32N4O4	680.2424	NA	KEGG	NA	NA
+PJ015842	SSNNEM 	C24H40N8O13S	680.2436	NA	PeJP	NA	NA
+PJ015843	PCCCQK 	C25H44N8O8S3	680.2445	NA	PeJP	NA	NA
+PJ015844	GCNNHH 	C25H36N12O9S	680.2449	NA	PeJP	NA	NA
+MJ090237	Pinus taeda Lignan trimer, 3,3'',4'-Tri-Me ether, 9,9',9''-tri-Ac 	C36H40O13	680.246891	NA	MeJP	NA	NA
+PJ015845	SEEMW 	C29H40N6O11S	680.2476	NA	PeJP	NA	NA
+PJ015846	SSTEEE 	C25H40N6O16	680.2501	NA	PeJP	NA	NA
+PJ015847	AAEEMM 	C26H44N6O11S2	680.251	NA	PeJP	NA	NA
+PJ015848	GSDEHH 	C26H36N10O12	680.2515	NA	PeJP	NA	NA
+PJ015849	CCNRW 	C27H40N10O7S2	680.2523	NA	PeJP	NA	NA
+PJ015850	SSCNDR 	C23H40N10O12S	680.2548	NA	PeJP	NA	NA
+PJ015851	GSSNMW 	C28H40N8O10S	680.2588	NA	PeJP	NA	NA
+PJ015852	GGGGAPCY 	C28H40N8O10S	680.2589	NA	PeJP	NA	NA
+PJ015853	GSSSSQE 	C24H40N8O15	680.2613	NA	PeJP	NA	NA
+PJ015854	DEMMR 	C25H44N8O10S2	680.2622	NA	PeJP	NA	NA
+PJ015855	PCEFW 	C33H40N6O8S	680.2629	NA	PeJP	NA	NA
+PJ015856	GSPEEY 	C29H40N6O13	680.2654	NA	PeJP	NA	NA
+PJ015857	VDMMW 	C30H44N6O8S2	680.2662	NA	PeJP	NA	NA
+PJ015858	SDHHW 	C30H36N10O9	680.2667	NA	PeJP	NA	NA
+MJ090238	Azadirachtin N 	C33H44O15	680.26802	NA	MeJP	NA	NA
+PJ015859	ATTEEM 	C26H44N6O13S	680.2687	NA	PeJP	NA	NA
+PJ015860	APTMMM 	C27H48N6O8S3	680.2696	NA	PeJP	NA	NA
+PJ015861	QEMHH 	C27H40N10O9S	680.2701	NA	PeJP	NA	NA
+PJ015862	GSCQMR 	C24H44N10O9S2	680.2734	NA	PeJP	NA	NA
+PJ015863	GCCDKR 	C24H44N10O9S2	680.2735	NA	PeJP	NA	NA
+PJ015864	CQHFF 	C32H40N8O7S	680.2741	NA	PeJP	NA	NA
+PJ015865	SSSSQW 	C28H40N8O12	680.2766	NA	PeJP	NA	NA
+PJ015866	CNKMW 	C29H44N8O7S2	680.2775	NA	PeJP	NA	NA
+PJ015867	SSNDKM 	C25H44N8O12S	680.28	NA	PeJP	NA	NA
+PJ015868	SPEYW 	C33H40N6O10	680.2806	NA	PeJP	NA	NA
+PJ015869	PCCCKK 	C26H48N8O7S3	680.2808	NA	PeJP	NA	NA
+PJ015870	CEHHR 	C26H40N12O8S	680.2813	NA	PeJP	NA	NA
+MJ090239	4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 13-Ketone, 5E-cinnamoyl, 2,7,9,10-tetra-Ac 	C37H44O12	680.283276	NA	MeJP	NA	NA
+PJ015871	AAPEMY 	C30H44N6O10S	680.284	NA	PeJP	NA	NA
+PJ015872	GSCCRR 	C23H44N12O8S2	680.2847	NA	PeJP	NA	NA
+PJ015873	AMHHW 	C31H40N10O6S	680.2853	NA	PeJP	NA	NA
+PJ015874	TTTTEE 	C26H44N6O15	680.2865	NA	PeJP	NA	NA
+PJ015875	GTLEMM 	C27H48N6O10S2	680.2874	NA	PeJP	NA	NA
+PJ015876	NNDRY 	C27H40N10O11	680.2878	NA	PeJP	NA	NA
+PJ015877	GGGGAPEH 	C27H40N10O11	680.2879	NA	PeJP	NA	NA
+MJ090240	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H48O17	680.28915	NA	MeJP	NA	NA
+PJ015878	NHHHH 	C28H36N14O7	680.2892	NA	PeJP	NA	NA
+PJ015879	SSSNMR 	C24H44N10O11S	680.2912	NA	PeJP	NA	NA
+PJ015880	GQQYW 	C32H40N8O9	680.2918	NA	PeJP	NA	NA
+PJ015881	GGAQYW 	C32H40N8O9	680.2919	NA	PeJP	NA	NA
+PJ015882	GSTCKW 	C29H44N8O9S	680.2952	NA	PeJP	NA	NA
+MJ090241	Chondramide A; 2'-Chloro 	C36H45ClN4O7	680.297677	NA	MeJP	NA	NA
+PJ015883	GSSSSKE 	C25H44N8O14	680.2977	NA	PeJP	NA	NA
+PJ015884	GSQKMM 	C26H48N8O9S2	680.2986	NA	PeJP	NA	NA
+PJ015885	PCLYW 	C34H44N6O7S	680.2992	NA	PeJP	NA	NA
+PJ015886	APPCFF 	C34H44N6O7S	680.2993	NA	PeJP	NA	NA
+PJ015887	LQEEY 	C30H44N6O12	680.3017	NA	PeJP	NA	NA
+PJ015888	GALEEY 	C30H44N6O12	680.3018	NA	PeJP	NA	NA
+PJ015889	TLMMW 	C31H48N6O7S2	680.3026	NA	PeJP	NA	NA
+PJ015890	TTHHW 	C31H40N10O8	680.3031	NA	PeJP	NA	NA
+MJ090242	3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C34H48O14	680.304406	NA	MeJP	NA	NA
+PJ015891	STTLEM 	C27H48N6O12S	680.3051	NA	PeJP	NA	NA
+PJ015892	GVLMMM 	C28H52N6O7S3	680.306	NA	PeJP	NA	NA
+PJ015893	CQQFR 	C28H44N10O8S	680.3064	NA	PeJP	NA	NA
+PJ015894	NNMFR 	C28H44N10O8S	680.3065	NA	PeJP	NA	NA
+PJ015895	ASSSSSR 	C24H44N10O13	680.3089	NA	PeJP	NA	NA
+PJ015896	GSSSSTR 	C24H44N10O13	680.309	NA	PeJP	NA	NA
+MJ090243	8',11O-Bisisocorydine 	C40H44N2O8	680.309766	NA	MeJP	NA	NA
+MJ090244	8,8'-Bisisocorydine 	C40H44N2O8	680.309766	NA	MeJP	NA	NA
+MJ090245	Dehatriphine 	C40H44N2O8	680.309766	NA	MeJP	NA	NA
+MJ090246	Dehydrothalicarpine; O7'-De-Me 	C40H44N2O8	680.309766	NA	MeJP	NA	NA
+MJ090247	Pennsylpavoline; O1-Me 	C40H44N2O8	680.309766	NA	MeJP	NA	NA
+PJ015897	GSCKMR 	C25H48N10O8S2	680.3098	NA	PeJP	NA	NA
+PJ015898	CKHFF 	C33H44N8O6S	680.3105	NA	PeJP	NA	NA
+PJ015899	SSSSKW 	C29H44N8O11	680.313	NA	PeJP	NA	NA
+PJ015900	PMMFR 	C30H48N8O6S2	680.3139	NA	PeJP	NA	NA
+PJ015901	GPPHHH 	C30H40N12O7	680.3143	NA	PeJP	NA	NA
+PJ015902	SSTQKM 	C26H48N8O11S	680.3163	NA	PeJP	NA	NA
+PJ015903	GGSTTKM 	C26H48N8O11S	680.3164	NA	PeJP	NA	NA
+PJ015904	ALEYW 	C34H44N6O9	680.317	NA	PeJP	NA	NA
+PJ015905	LMMMR 	C27H52N8O6S3	680.3172	NA	PeJP	NA	NA
+PJ015906	TMHHR 	C27H44N12O7S	680.3177	NA	PeJP	NA	NA
+PJ015907	GPTLMY 	C31H48N6O9S	680.3204	NA	PeJP	NA	NA
+PJ015908	SSLLMM 	C28H52N6O9S2	680.3237	NA	PeJP	NA	NA
+PJ015909	SQQRY 	C28H44N10O10	680.3242	NA	PeJP	NA	NA
+PJ015910	SSTCKR 	C25H48N10O10S	680.3276	NA	PeJP	NA	NA
+PJ015911	GQKYW 	C33H44N8O8	680.3282	NA	PeJP	NA	NA
+PJ015912	VEMFR 	C30H48N8O8S	680.3316	NA	PeJP	NA	NA
+MJ090248	Ornibactin C4 	C26H48N8O13	680.334083	NA	MeJP	NA	NA
+PJ015913	GSSTTTK 	C26H48N8O13	680.3341	NA	PeJP	NA	NA
+MJ090249	Pycnocomolide; 4''-Methoxy 	C42H48O8	680.334918	NA	MeJP	NA	NA
+PJ015914	GSKKMM 	C27H52N8O8S2	680.335	NA	PeJP	NA	NA
+PJ015915	ASPNHR 	C27H44N12O9	680.3354	NA	PeJP	NA	NA
+PJ015916	GSPQHR 	C27H44N12O9	680.3355	NA	PeJP	NA	NA
+PJ015917	VVMFW 	C35H48N6O6S	680.3356	NA	PeJP	NA	NA
+PJ015918	LKEEY 	C31H48N6O11	680.3381	NA	PeJP	NA	NA
+PJ015919	PNKHW 	C32H44N10O7	680.3395	NA	PeJP	NA	NA
+2937	myelopeptide	FLGFPT	680.34	celiac toxic	Inhouse_peptide	NA	peptide
+MJ090250	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5-(2-Methylbutanoyl), 2-(2-methylpropanoyl), 7,8,9-tri-Ac 	C35H52O13	680.340791	NA	MeJP	NA	NA
+MJ090251	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5-(2-Methylbutanoyl), 7-(2-methylpropanoyl), 2,8,9-tri-Ac 	C35H52O13	680.340791	NA	MeJP	NA	NA
+MJ090252	3,14-Dihydroxycarda-4,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] 	C35H52O13	680.340791	NA	MeJP	NA	NA
+MJ090253	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-2,6-dideoxy-D-ribo-hexopyranoside] 	C35H52O13	680.340791	NA	MeJP	NA	NA
+MJ090254	4-Eudesmene-3,6,7,11,15-pentol, 11-O-(3-Acetyl-2,4-diangeloyl-?-D-fucopyranoside), 15-Ac 	C35H52O13	680.340791	NA	MeJP	NA	NA
+MJ090255	Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H52O13	680.340791	NA	MeJP	NA	NA
+PJ015920	CQKFR 	C29H48N10O7S	680.3428	NA	PeJP	NA	NA
+PJ015921	GACKFR 	C29H48N10O7S	680.3429	NA	PeJP	NA	NA
+MJ090256	Cholestane-3,4,6,8,15,24-hexol, 24-O-?-D-Xylopyranoside, 3-O-sulfate 	C32H56O13S	680.344162	NA	MeJP	NA	NA
+PJ015922	TLERY 	C30H48N8O10	680.3494	NA	PeJP	NA	NA
+PJ015923	SSTKKM 	C27H52N8O10S	680.3527	NA	PeJP	NA	NA
+MJ090257	Dichotomin A 	C35H48N6O8	680.353362	NA	MeJP	NA	NA
+PJ015924	SLLYW 	C35H48N6O8	680.3534	NA	PeJP	NA	NA
+MJ090258	Daphnetoxin; 12?-Dodecanoyloxy 	C39H52O10	680.356047	NA	MeJP	NA	NA
+PJ015925	AALLMY 	C32H52N6O8S	680.3568	NA	PeJP	NA	NA
+PJ015926	SQKRY 	C29H48N10O9	680.3606	NA	PeJP	NA	NA
+PJ015927	GKKYW 	C34H48N8O7	680.3646	NA	PeJP	NA	NA
+PJ015928	VLMRY 	C31H52N8O7S	680.368	NA	PeJP	NA	NA
+PJ015929	GSPKHR 	C28H48N12O8	680.3718	NA	PeJP	NA	NA
+PJ015930	GGAALHR 	C28H48N12O8	680.3719	NA	PeJP	NA	NA
+2623	synthetic fr,of human beta-CN (63-68) ACE inhibitor	PQNILP	680.3729	NA	Inhouse_peptide	NA	peptide
+PJ015931	ATTLLY 	C32H52N6O10	680.3745	NA	PeJP	NA	NA
+MJ090259	Nostoxanthin; 3-O-Sulfate 	C40H56O7S	680.374674	NA	MeJP	NA	NA
+PJ015932	LKHHF 	C33H48N10O6	680.3759	NA	PeJP	NA	NA
+MJ090260	16,23-Epoxy-2,3,20,26,27-pentahydroxy-5,24-cucurbitadien-11-one, 3-O-?-D-Glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090261	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 23,24-Dihydro, 2-O-?-D-glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090262	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 2-O-?-D-Glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090263	2,3,19-Trihydroxy-12-ursene-23,28-dioic acid, 28-?-D-Glucopyranosyl ester 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090264	2,3,19-Trihydroxy-12-ursene-24,28-dioic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090265	2,3,20-Trihydroxy-12-ursene-24,28-dioic acid, 24-O-?-D-Galactopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090266	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090267	2,3,27-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090268	20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 3-Ketone, 2-O-?-D-Glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090269	21,23:22,28-Diepoxystigmasta-7,9(11)-diene-3,16,21,24,28-pentol, 28-Me ether, 3-O-?-D-glucopyranoside 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090270	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090271	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside] 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090272	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090273	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside] 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090274	Allofusicoccin 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090275	Fusicoccin D; 3',19-Di-Ac 	C36H56O12	680.377177	NA	MeJP	NA	NA
+MJ090276	Fusicoccin D; 4',19-Di-Ac 	C36H56O12	680.377177	NA	MeJP	NA	NA
+PJ015933	CKKFR 	C30H52N10O6S	680.3792	NA	PeJP	NA	NA
+PJ015934	VNHRR 	C27H48N14O7	680.3831	NA	PeJP	NA	NA
+PJ015935	DKKKY 	C31H52N8O9	680.3857	NA	PeJP	NA	NA
+PJ015936	GSVKKY 	C31H52N8O9	680.3858	NA	PeJP	NA	NA
+PJ015937	AALLFF 	C36H52N6O7	680.3898	NA	PeJP	NA	NA
+PJ015938	GHRRR 	C26H48N16O6	680.3943	NA	PeJP	NA	NA
+PJ015939	SKKRY 	C30H52N10O8	680.397	NA	PeJP	NA	NA
+MJ090277	Gingerglycolipid A; 12',13',15',16'-Tetrahydro 	C33H60O14	680.398306	NA	MeJP	NA	NA
+PJ015940	LLLHW 	C35H52N8O6	680.401	NA	PeJP	NA	NA
+PJ015941	KKKMF 	C32H56N8O6S	680.4044	NA	PeJP	NA	NA
+PJ015942	GPPVRR 	C29H52N12O7	680.4082	NA	PeJP	NA	NA
+PJ015943	PPLLLE 	C33H56N6O9	680.4109	NA	PeJP	NA	NA
+MJ090278	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside 	C37H60O11	680.413562	NA	MeJP	NA	NA
+MJ090279	20,24-Epoxycycloartane-3,12,15,16,25-pentol, 15-Ac, 3-O-?-D-Xylopyranoside 	C37H60O11	680.413562	NA	MeJP	NA	NA
+MJ090280	Cholest-4-ene-3,7,12,26-tetrol, 7-O-(6-O-Acetyl-?-D-galactopyranoside), 26-Ac 	C37H60O11	680.413562	NA	MeJP	NA	NA
+PJ015944	PPRRR 	C28H52N14O6	680.4195	NA	PeJP	NA	NA
+PJ015945	SVLLLH 	C32H56N8O8	680.4221	NA	PeJP	NA	NA
+PJ015946	AAPPVVK 	C32H56N8O8	680.4222	NA	PeJP	NA	NA
+MJ090281	Aspidexcine 	C42H56N4O4	680.430156	NA	MeJP	NA	NA
+MJ090282	Secamine; 15,15',20,20'-Tetrahydro 	C42H56N4O4	680.430156	NA	MeJP	NA	NA
+MJ090283	Tetrahydropresecamine 	C42H56N4O4	680.430156	NA	MeJP	NA	NA
+PJ015947	APPLKR 	C31H56N10O7	680.4334	NA	PeJP	NA	NA
+3884	temporin C	LLPILGNLLNGLL~	680.4339	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04046	13-[O(2')-&beta;-D-glucopyranosyl-&beta;-D-glucopyranosyloxy]docosanoate []	C34H64O13	680.434692	NA	metacyc	NA	NA
+C18191	13-Sophorosyloxydocosanoic acid	C34H64O13	680.4347	NA	KEGG	NA	NA
+MJ090284	Buxus Alkaloid A5 	C40H60N2O7	680.440052	NA	MeJP	NA	NA
+PJ015948	LKKHR 	C30H56N12O6	680.4446	NA	PeJP	NA	NA
+MJ090285	20,24-Epoxydammarane-3,11,25-triol, 3-O-(2-O-Acetyl-?-D-glucopyranoside) 	C38H64O10	680.449948	NA	MeJP	NA	NA
+MJ090286	Dammar-24-ene-3,6,20,26-tetrol, 3-Ac, 26-O-?-D-glucopyranoside 	C38H64O10	680.449948	NA	MeJP	NA	NA
+PJ015949	PPVLKK 	C33H60N8O7	680.4585	NA	PeJP	NA	NA
+MJ090287	Methionaquinone; 22',23',26',27'-Tetradehydro 	C46H64O2S	680.462701	NA	MeJP	NA	NA
+MJ090288	Aculeatin C 	C42H64O7	680.465204	NA	MeJP	NA	NA
+PJ015950	PLLLLL 	C35H64N6O7	680.4837	NA	PeJP	NA	NA
+MJ090289	Bistellettadine B 	C35H60N12O2	680.496219	NA	MeJP	NA	NA
+MJ090290	Corymbivillosol 	C43H68O6	680.501589	NA	MeJP	NA	NA
+MJ090291	Plastoquinone; Plastoquinone 8 	C48H72O2	680.553231	NA	MeJP	NA	NA
+MJ090292	1-Dodecanoyl-3,5-ditetradecanoylbenzene 	C46H80O3	680.610746	NA	MeJP	NA	NA
+MJ090293	12-Oleanene-3,28-diol, 3-Hexadecanoyl 	C46H80O3	680.610746	NA	MeJP	NA	NA
+MJ090294	20(29)-Lupen-3-ol, 3-(3R-Hydroxyhexadecanoyl) 	C46H80O3	680.610746	NA	MeJP	NA	NA
+MJ090295	20(29)-Lupene-3,16-diol, 3-Hexadecanoyl 	C46H80O3	680.610746	NA	MeJP	NA	NA
+MJ090296	20-Taraxastene-3,16-diol, 3-Hexadecanoyl 	C46H80O3	680.610746	NA	MeJP	NA	NA
+MJ090297	20-Taraxastene-3,6-diol, 3-Hexadecanoyl 	C46H80O3	680.610746	NA	MeJP	NA	NA
+MJ090298	Lanost-5-ene-3,26-diol, 3-(9-Hexadecenoyl) 	C46H80O3	680.610746	NA	MeJP	NA	NA
+HMDB07122	DG(16:0/24:0/0:0)	C43H84O5	680.631897	NA	HMDB2010	NA	NA
+HMDB07173	DG(18:0/22:0/0:0)	C43H84O5	680.631897	NA	HMDB2010	NA	NA
+HMDB07368	DG(20:0/20:0/0:0)	C43H84O5	680.631897	NA	HMDB2010	NA	NA
+HMDB07593	DG(22:0/18:0/0:0)	C43H84O5	680.631897	NA	HMDB2010	NA	NA
+HMDB07794	DG(24:0/16:0/0:0)	C43H84O5	680.631897	NA	HMDB2010	NA	NA
+HMDB05216	DG(20:0/20:0/0:0)	C43H84O5	680.6319	http://www.hmdb.ca/metabolites/HMDB05216	HMDB	NA	NA
+HMDB05216	DG(20:0/20:0/0:0)	C43H84O5	680.6319	HMDB05216	PFEM_hmdb_metabocards_official	NA	NA
+MJ090299	Stigmast-5-en-3-ol, Octadecanoyl 	C47H84O2	680.647131	NA	MeJP	NA	NA
+HMDB06740	CE(20:0)	C47H84O2	680.647156	NA	HMDB2010	NA	NA
+HMDB06740	Cholesteryl eicosanoic acid	C47H84O2	680.64716	http://www.hmdb.ca/metabolites/HMDB06740	HMDB	NA	NA
+HMDB06740	Cholesteryl eicosanoic acid	C47H84O2	680.64716	HMDB06740	PFEM_hmdb_metabocards_official	NA	NA
+PJ015951	CCCCNH 	C22H35N9O8S4	681.1492	NA	PeJP	NA	NA
+FL7AAAGL0020	Palargonidin 3-(6''-malonylsophoroside)	C30H33O18	681.16668	79504-28-2	knapsack	NA	NA
+FL7AAAGL0024	Pelargonidin 3-(6''-malonylglucoside)-5-glucoside	C30H33O18	681.16668	98064-03-0	knapsack	NA	NA
+FL7AAAGL0025	Pelargonidin 3-glucoside-5-(6'''-malonylglucoside)	C30H33O18	681.16668	167774-88-1	knapsack	NA	NA
+FL7AAAGL0070	Pelargonidin 3-(6-malonylglucoside)-7-glucoside	C30H33O18	681.16668	215237-89-1	knapsack	NA	NA
+PJ015952	GPPCCCC 	C24H39N7O8S4	681.1743	NA	PeJP	NA	NA
+PJ015953	CCNNND 	C22H35N9O12S2	681.1847	NA	PeJP	NA	NA
+PJ015954	SCNDDE 	C23H35N7O15S	681.1912	NA	PeJP	NA	NA
+PJ015955	PCCNDM 	C24H39N7O10S3	681.1921	NA	PeJP	NA	NA
+PJ015956	CCMYY 	C29H39N5O8S3	681.1961	NA	PeJP	NA	NA
+MJ090300	Antibiotic SF 2446A1; 6-Deoxy 	C34H35NO14	681.205754	NA	MeJP	NA	NA
+PJ015957	GSCDDW 	C27H35N7O12S	681.2065	NA	PeJP	NA	NA
+PJ015958	APCCCW 	C28H39N7O7S3	681.2073	NA	PeJP	NA	NA
+PJ015959	GSSSDDD 	C23H35N7O17	681.209	NA	PeJP	NA	NA
+PJ015960	GNDDMM 	C24H39N7O12S2	681.2098	NA	PeJP	NA	NA
+PJ015961	GGGDDMM 	C24H39N7O12S2	681.2099	NA	PeJP	NA	NA
+MJ090301	Neocoprogen II 	C27H41FeN6O11	681.218273	NA	MeJP	NA	NA
+PJ015962	GCCDER 	C23H39N9O11S2	681.2211	NA	PeJP	NA	NA
+PJ015963	GNDDDF 	C27H35N7O14	681.2242	NA	PeJP	NA	NA
+PJ015964	CNEMW 	C28H39N7O9S2	681.2251	NA	PeJP	NA	NA
+PJ015965	SSNDEM 	C24H39N7O14S	681.2276	NA	PeJP	NA	NA
+PJ015966	SPCNMM 	C25H43N7O9S3	681.2285	NA	PeJP	NA	NA
+PJ015967	GCNDHH 	C25H35N11O10S	681.2289	NA	PeJP	NA	NA
+PJ015968	CCFFY 	C33H39N5O7S2	681.2291	NA	PeJP	NA	NA
+PJ015969	CCDRW 	C27H39N9O8S2	681.2363	NA	PeJP	NA	NA
+PJ015970	SSCDDR 	C23H39N9O13S	681.2388	NA	PeJP	NA	NA
+PJ015971	PTCCCR 	C24H43N9O8S3	681.2397	NA	PeJP	NA	NA
+PJ015972	GCMWW 	C32H39N7O6S2	681.2403	NA	PeJP	NA	NA
+MJ090302	Alangiside; 2'-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C35H39NO13	681.24214	NA	MeJP	NA	NA
+MJ090303	Alangiside; O-De-Me, O2-Me, 2'-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C35H39NO13	681.24214	NA	MeJP	NA	NA
+PJ015973	GSSDMW 	C28H39N7O11S	681.2429	NA	PeJP	NA	NA
+PJ015974	GSSSSEE 	C24H39N7O16	681.2453	NA	PeJP	NA	NA
+PJ015975	GSQEMM 	C25H43N7O11S2	681.2462	NA	PeJP	NA	NA
+PJ015976	ACYYY 	C33H39N5O9S	681.2469	NA	PeJP	NA	NA
+PJ015977	EEEEF 	C29H39N5O14	681.2494	NA	PeJP	NA	NA
+PJ015978	GCNNQF 	C27H39N9O10S	681.2541	NA	PeJP	NA	NA
+PJ015979	SSSSSNN 	C23H39N9O15	681.2566	NA	PeJP	NA	NA
+PJ015980	SCCNQK 	C24H43N9O10S2	681.2574	NA	PeJP	NA	NA
+PJ015981	GSCEMR 	C24H43N9O10S2	681.2575	NA	PeJP	NA	NA
+PJ015982	STCWW 	C32H39N7O8S	681.2581	NA	PeJP	NA	NA
+PJ015983	SSSSEW 	C28H39N7O13	681.2606	NA	PeJP	NA	NA
+PJ015984	SQMMW 	C29H43N7O8S2	681.2615	NA	PeJP	NA	NA
+PJ015985	SSTQEM 	C25H43N7O13S	681.264	NA	PeJP	NA	NA
+PJ015986	SSYYY 	C33H39N5O11	681.2646	NA	PeJP	NA	NA
+PJ015987	AAQMMM 	C26H47N7O8S3	681.2649	NA	PeJP	NA	NA
+PJ015988	GSNMHH 	C26H39N11O9S	681.2653	NA	PeJP	NA	NA
+PJ015989	NDDRY 	C27H39N9O12	681.2718	NA	PeJP	NA	NA
+PJ015990	GGDDRY 	C27H39N9O12	681.2719	NA	PeJP	NA	NA
+PJ015991	SCMRW 	C28H43N9O7S2	681.2727	NA	PeJP	NA	NA
+PJ015992	DHHHH 	C28H35N13O8	681.2732	NA	PeJP	NA	NA
+PJ015993	SSSDMR 	C24H43N9O12S	681.2752	NA	PeJP	NA	NA
+PJ015994	GQEYW 	C32H39N7O10	681.2759	NA	PeJP	NA	NA
+PJ015995	NMMMR 	C25H47N9O7S3	681.2761	NA	PeJP	NA	NA
+MJ090304	Antibiotic A 39079S-1 	C36H43NO12	681.278525	NA	MeJP	NA	NA
+PJ015996	GSTTMW 	C29H43N7O10S	681.2792	NA	PeJP	NA	NA
+PJ015997	GGGVDMF 	C29H43N7O10S	681.2793	NA	PeJP	NA	NA
+PJ015998	GSSTTTE 	C25H43N7O15	681.2817	NA	PeJP	NA	NA
+PJ015999	GSKEMM 	C26H47N7O10S2	681.2826	NA	PeJP	NA	NA
+PJ016000	SSSQHH 	C26H39N11O11	681.2831	NA	PeJP	NA	NA
+PJ016001	LEEEY 	C30H43N5O13	681.2858	NA	PeJP	NA	NA
+PJ016002	PNEHW 	C31H39N9O9	681.2871	NA	PeJP	NA	NA
+PJ016003	GSPCRY 	C28H43N9O9S	681.2905	NA	PeJP	NA	NA
+PJ016004	QYWW 	C36H39N7O7	681.2911	NA	PeJP	NA	NA
+MJ090305	Neoacrimarine A; O6-De-Me 	C40H43NO9	681.293781	NA	MeJP	NA	NA
+PJ016005	GSTMMR 	C25H47N9O9S2	681.2938	NA	PeJP	NA	NA
+PJ016006	GGSCCKK 	C25H47N9O9S2	681.2939	NA	PeJP	NA	NA
+PJ016007	AQMFW 	C33H43N7O7S	681.2945	NA	PeJP	NA	NA
+PJ016008	SSTTTW 	C29H43N7O12	681.297	NA	PeJP	NA	NA
+PJ016009	SKMMW 	C30H47N7O7S2	681.2979	NA	PeJP	NA	NA
+PJ016010	NQHHF 	C30H39N11O8	681.2983	NA	PeJP	NA	NA
+PJ016011	GGGAHHF 	C30H39N11O8	681.2984	NA	PeJP	NA	NA
+PJ016012	SSTKEM 	C26H47N7O12S	681.3004	NA	PeJP	NA	NA
+PJ016013	AAKMMM 	C27H51N7O7S3	681.3012	NA	PeJP	NA	NA
+PJ016014	GTCKHH 	C27H43N11O8S	681.3017	NA	PeJP	NA	NA
+PJ016015	GPHWW 	C35H39N9O6	681.3024	NA	PeJP	NA	NA
+PJ016016	ACFRW 	C32H43N9O6S	681.3057	NA	PeJP	NA	NA
+PJ016017	SQERY 	C28H43N9O11	681.3082	NA	PeJP	NA	NA
+PJ016018	SSTTMR 	C25H47N9O11S	681.3116	NA	PeJP	NA	NA
+PJ016019	GKEYW 	C33H43N7O9	681.3122	NA	PeJP	NA	NA
+PJ016020	GGSLYW 	C33H43N7O9	681.3123	NA	PeJP	NA	NA
+MJ090306	Rifamycin W; 8-Deoxy, 23-Ac 	C37H47NO11	681.314911	NA	MeJP	NA	NA
+PJ016021	GSPKMY 	C30H47N7O9S	681.3156	NA	PeJP	NA	NA
+PJ016022	SSSSTTL 	C26H47N7O14	681.3181	NA	PeJP	NA	NA
+PJ016023	ATTKMM 	C27H51N7O9S2	681.319	NA	PeJP	NA	NA
+PJ016024	GSPEHR 	C27H43N11O10	681.3195	NA	PeJP	NA	NA
+PJ016025	GTRYW 	C32H43N9O8	681.3235	NA	PeJP	NA	NA
+PJ016026	VNMRY 	C29H47N9O8S	681.3268	NA	PeJP	NA	NA
+PJ016027	GGVMRY 	C29H47N9O8S	681.3269	NA	PeJP	NA	NA
+PJ016028	KYWW 	C37H43N7O6	681.3275	NA	PeJP	NA	NA
+PJ016029	NQQHR 	C26H43N13O9	681.3307	NA	PeJP	NA	NA
+PJ016030	AKMFW 	C34H47N7O6S	681.3309	NA	PeJP	NA	NA
+PJ016031	DKKEY 	C30H47N7O11	681.3334	NA	PeJP	NA	NA
+PJ016032	SPHRW 	C31H43N11O7	681.3347	NA	PeJP	NA	NA
+MJ090307	Tetrin A 	C34H51NO13	681.33604	NA	MeJP	NA	NA
+PJ016033	TTTTKM 	C27H51N7O11S	681.3367	NA	PeJP	NA	NA
+C04245	Amino acid(Tyr-, Trp-, Phe-, Leu-)	C11H12N2O2	681.3374	NA	KEGG	NA	NA
+C04246	But-2-enoyl-[acyl-carrier protein]	C4H5OSR	681.3374	NA	KEGG	NA	NA
+C04247	D-Galactosyl-1,4-beta-D-glucosyl-R	C12H21O11R	681.3374	NA	KEGG	NA	NA
+C04248	6-(alpha-D-Glucosaminyl)-1-phosphatidyl-1D-myo-inositol	C17H28NO17PR2	681.3374	NA	KEGG	NA	NA
+C04249	DNA (containing Holliday junction)	C17H28NO17PR2	681.3374	NA	KEGG	NA	NA
+C04250	DNA containing 6-O-methylguanine	C11H16N5O7P	681.3374	NA	KEGG	NA	NA
+PJ016034	GMRRY 	C28H47N11O7S	681.3381	NA	PeJP	NA	NA
+PJ016035	SKERY 	C29H47N9O10	681.3446	NA	PeJP	NA	NA
+PJ016036	SVKYW 	C34H47N7O8	681.3486	NA	PeJP	NA	NA
+PJ016037	GGGVVFF 	C34H47N7O8	681.3487	NA	PeJP	NA	NA
+MJ090308	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-(3-Methylamino-3-phenylpropanoyl), 2,9,10,13-tetra-Ac 	C38H51NO10	681.351296	NA	MeJP	NA	NA
+MJ090309	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(3-Methylamino-3-phenylpropanoyl), 7,9,10,13-tetra-Ac 	C38H51NO10	681.351296	NA	MeJP	NA	NA
+PJ016038	LQKMY 	C31H51N7O8S	681.352	NA	PeJP	NA	NA
+MJ090310	Jubanine A; N-De-Me 	C39H47N5O6	681.352634	NA	MeJP	NA	NA
+PJ016039	STRRY 	C28H47N11O9	681.3558	NA	PeJP	NA	NA
+PJ016040	GALEHR 	C28H47N11O9	681.3559	NA	PeJP	NA	NA
+2654	synthetic fr, of human beta-CN (165-170) ACE inhibitor	PQEVLP	681.356	NA	Inhouse_peptide	NA	peptide
+PJ016041	VLQHW 	C33H47N9O7	681.3599	NA	PeJP	NA	NA
+PJ016042	CLKRY 	C30H51N9O7S	681.3632	NA	PeJP	NA	NA
+PJ016043	PPPCLR 	C30H51N9O7S	681.3633	NA	PeJP	NA	NA
+PJ016044	VDHRR 	C27H47N13O8	681.3671	NA	PeJP	NA	NA
+PJ016045	GTTLKY 	C31H51N7O10	681.3698	NA	PeJP	NA	NA
+PJ016046	ALHRW 	C32H47N11O6	681.3711	NA	PeJP	NA	NA
+PJ016047	APPLER 	C30H51N9O9	681.381	NA	PeJP	NA	NA
+PJ016048	GPPLLW 	C35H51N7O7	681.385	NA	PeJP	NA	NA
+PJ016049	LKKMY 	C32H55N7O7S	681.3884	NA	PeJP	NA	NA
+PJ016050	LKEHR 	C29H51N11O8	681.3922	NA	PeJP	NA	NA
+PJ016051	GGGVKKH 	C29H51N11O8	681.3923	NA	PeJP	NA	NA
+PJ016052	VLKHW 	C34H51N9O6	681.3963	NA	PeJP	NA	NA
+PJ016053	TLHRR 	C28H51N13O7	681.4035	NA	PeJP	NA	NA
+PJ016054	PPVLKE 	C32H55N7O9	681.4062	NA	PeJP	NA	NA
+C15681	Mycinamicin III	C36H59NO11	681.4088	NA	KEGG	NA	NA
+MJ090311	Mycinamycin VI; 2''-Me ether 	C36H59NO11	681.408811	NA	MeJP	NA	NA
+PJ016055	SPPLLR 	C31H55N9O8	681.4174	NA	PeJP	NA	NA
+PJ016056	LKKFF 	C36H55N7O6	681.4214	NA	PeJP	NA	NA
+PJ016057	GPPKKR 	C30H55N11O7	681.4286	NA	PeJP	NA	NA
+HMDB08865	PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C37H64NO8P	681.436951	NA	HMDB2010	NA	NA
+HMDB09185	PE(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	C37H64NO8P	681.436951	NA	HMDB2010	NA	NA
+MJ090312	8-Multiflorene-3,7,29-triol, 3-O-(4-Aminobenzoyl), 29-benzoyl 	C44H59NO5	681.439324	NA	MeJP	NA	NA
+PJ016058	PVLLLQ 	C33H59N7O8	681.4425	NA	PeJP	NA	NA
+PJ016059	GGPLLLL 	C33H59N7O8	681.4426	NA	PeJP	NA	NA
+PJ016060	APLLLR 	C32H59N9O7	681.4538	NA	PeJP	NA	NA
+MJ090313	Antibiotic MK 1688 	C36H63N3O9	681.45643	NA	MeJP	NA	NA
+MJ090314	Enniatin A 	C36H63N3O9	681.45643	NA	MeJP	NA	NA
+MJ090315	Enniatin C 	C36H63N3O9	681.45643	NA	MeJP	NA	NA
+MJ090316	Enniatin F 	C36H63N3O9	681.45643	NA	MeJP	NA	NA
+PJ016061	PVLLLK 	C34H63N7O7	681.4789	NA	PeJP	NA	NA
+MJ090317	2-Amino-6-octadecene-1,3,4-triol, N-(2R-Hydroxytetracosanoyl) 	C42H83NO5	681.627124	NA	MeJP	NA	NA
+PJ016062	CCCCDH 	C22H34N8O9S4	682.1332	NA	PeJP	NA	NA
+MJ090318	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1??)-?-D-glucuronopyranoside] 	C29H30O19	682.138128	NA	MeJP	NA	NA
+MJ090319	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C29H31O19(+)	682.138128	NA	MeJP	NA	NA
+MJ090320	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Di-O-oxalyl-?-D-glucopyranoside 	C29H31O19(+)	682.138128	NA	MeJP	NA	NA
+PJ016063	CCNNDD 	C22H34N8O13S2	682.1687	NA	PeJP	NA	NA
+PJ016064	SCCCMH 	C23H38N8O8S4	682.1696	NA	PeJP	NA	NA
+FL3FFCGS0014	8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl-(1->2)-glucoside	C30H34O18	682.17451	93753-29-8	knapsack	NA	NA
+FL5FAAGL0090	Kaempferol 3-(2''-hydroxypropionylglucoside)-4'-glucoside	C30H34O18	682.17451	83299-93-8	knapsack	NA	NA
+FL5FADGA0021	Isorhamnetin 3-(6'''-acetylglucosyl)(1->3)-galactoside;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C30H34O18	682.17451	139955-72-9	knapsack	NA	NA
+FL5FADGA0023	Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside	C30H34O18	682.17451	-	knapsack	NA	NA
+FL5FFCGS0021	Haploside D	C30H34O18	682.17451	79852-10-1	knapsack	NA	NA
+MJ090321	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34O18	682.174514	NA	MeJP	NA	NA
+MJ090322	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34O18	682.174514	NA	MeJP	NA	NA
+MJ090323	3,4',5,7,8-Pentahydroxy-3'-methoxyflavone; 7-O-[6-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34O18	682.174514	NA	MeJP	NA	NA
+MJ090324	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C30H34O18	682.174514	NA	MeJP	NA	NA
+MJ090325	4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside], mono-Ac 	C30H34O18	682.174514	NA	MeJP	NA	NA
+MJ090326	Astragalin; O''-(2-Hydroxypropanoyl), 4'-O-?-D-glucopyranoside 	C30H34O18	682.174514	NA	MeJP	NA	NA
+MJ090327	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C30H35O18(+)	682.174514	NA	MeJP	NA	NA
+PJ016065	SCDDDE 	C23H34N6O16S	682.1752	NA	PeJP	NA	NA
+PJ016066	PCCDDM 	C24H38N6O11S3	682.1761	NA	PeJP	NA	NA
+PJ016067	GSPCCCN 	C23H38N8O10S3	682.1873	NA	PeJP	NA	NA
+MJ090328	Chlorobiocin; 5-Demethyl 	C34H35ClN2O11	682.192937	NA	MeJP	NA	NA
+PJ016068	GDDDMM 	C24H38N6O13S2	682.1939	NA	PeJP	NA	NA
+PJ016069	ACCCHF 	C27H38N8O7S3	682.2026	NA	PeJP	NA	NA
+PJ016070	SCNNDM 	C23H38N8O12S2	682.2051	NA	PeJP	NA	NA
+PJ016071	GDDDDF 	C27H34N6O15	682.2083	NA	PeJP	NA	NA
+PJ016072	CDEMW 	C28H38N6O10S2	682.2091	NA	PeJP	NA	NA
+FL2FA9GS0010	Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside;5,7-Dihydroxyflavanone 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside	C31H38O17	682.21089	433979-36-3	knapsack	NA	NA
+FL3FECGS0053	6-Hydroxyluteolin 5,6,3',4'-tetramethyl eter 7-cellobioside;2-(3,4-Dimethoxyphenyl)-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dimethoxy-4H-1-benzopyran-4-one	C31H38O17	682.21089	222025-50-5	knapsack	NA	NA
+FL3FEGGS0005	6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-robinobioside	C31H38O17	682.21089	-	knapsack	NA	NA
+FL3FFGDS0001	5,7-Dihydroxy-8-3',4',5'-tetramethoxyflavone 5-O-rhamnoside-6-C-glucoside	C31H38O17	682.21089	72200-75-0	knapsack	NA	NA
+FL5FGAGS0001	6,8-Dihydroxykaempferol 3,6,7,4'-tetramethyl ether 8-neohesperidoside;8-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C31H38O17	682.21089	158781-94-3	knapsack	NA	NA
+MJ090329	1,2,3,6,8-Pentahydroxy-7-methylanthraquinone; 1,2,3,6-Tetra-Me ether, 8-O-[?-D-mannopyranosyl-(1?2)-?-D-allopyranoside] 	C31H38O17	682.210899	NA	MeJP	NA	NA
+MJ090330	2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether, 7-O-(rhamnosylglucoside) 	C31H38O17	682.210899	NA	MeJP	NA	NA
+MJ090331	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[6-O-Acetyl-?-D-glucopyranosyl-(?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C31H38O17	682.210899	NA	MeJP	NA	NA
+MJ090332	3',4',5,5',6,7-Hexahydroxyflavone; 3',5',6,7-Tetra-Me ether, 5-O-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C31H38O17	682.210899	NA	MeJP	NA	NA
+MJ090333	3',4',5,6,7-Pentahydroxyflavone; 3',4',5,6-Tetra-Me ether, 7-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C31H38O17	682.210899	NA	MeJP	NA	NA
+MJ090334	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,7-Tetra-Me ether, 8-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H38O17	682.210899	NA	MeJP	NA	NA
+MJ090335	6-Glucopyranosyl-3',4',5,5',7,8-hexahydroxyflavone; 3',4',5',8-Tetra-Me ether, 5-O-?-L-rhamnopyranoside 	C31H38O17	682.210899	NA	MeJP	NA	NA
+PJ016073	SSDDEM 	C24H38N6O15S	682.2116	NA	PeJP	NA	NA
+PJ016074	SPCDMM 	C25H42N6O10S3	682.2125	NA	PeJP	NA	NA
+PJ016075	GCDDHH 	C25H34N10O11S	682.213	NA	PeJP	NA	NA
+MJ090336	Dactylocycline E 	C31H39ClN2O13	682.214067	NA	MeJP	NA	NA
+PJ016076	GSCCQW 	C27H38N8O9S2	682.2203	NA	PeJP	NA	NA
+PJ016077	GSSSCNE 	C23H38N8O14S	682.2228	NA	PeJP	NA	NA
+PJ016078	GGGSSSCE 	C23H38N8O14S	682.2229	NA	PeJP	NA	NA
+PJ016079	GCNQMM 	C24H42N8O9S3	682.2237	NA	PeJP	NA	NA
+PJ016080	GPCDEY 	C28H38N6O12S	682.2269	NA	PeJP	NA	NA
+PJ016081	GSEEMM 	C25H42N6O12S2	682.2302	NA	PeJP	NA	NA
+PJ016082	APCMMM 	C26H46N6O7S4	682.2311	NA	PeJP	NA	NA
+PJ016083	SPCCHH 	C26H38N10O8S2	682.2316	NA	PeJP	NA	NA
+PJ016084	GCCNMR 	C23H42N10O8S3	682.235	NA	PeJP	NA	NA
+PJ016085	SSSCNW 	C27H38N8O11S	682.2381	NA	PeJP	NA	NA
+PJ016086	SSSSSND 	C23H38N8O16	682.2406	NA	PeJP	NA	NA
+PJ016087	SSNNMM 	C24H42N8O11S2	682.2415	NA	PeJP	NA	NA
+PJ016088	PCDYW 	C32H38N6O9S	682.2421	NA	PeJP	NA	NA
+PJ016089	NEEEY 	C28H38N6O14	682.2446	NA	PeJP	NA	NA
+PJ016090	SEMMW 	C29H42N6O9S2	682.2455	NA	PeJP	NA	NA
+MJ090337	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4',9-di-O-?-D-glucopyranoside 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090338	Aucubigenin; 1-O-?-D-Glucopyranoside, 6-O-[3,4-dimethoxycinnamoyl-(?3)-?-L-rhamnopyranoside] 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090339	Bruceolide; 15-(3-Methyl-2-butenoyl), 3-O-(?-D-glucopyranoside) 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090340	Bruceoside C 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090341	Bruceosin; 2-O-?-D-Glucopyranoside 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090342	Matairesinol, 4,4'-Di-O-?-D-glucopyranoside 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090343	Matairesinol, 4-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H42O16	682.247285	NA	MeJP	NA	NA
+MJ090344	Pinoresinol, Di-O-?-D-glucopyranoside 	C32H42O16	682.247285	NA	MeJP	NA	NA
+C08753	Bruceoside A	C32H42O16	682.2473	NA	KEGG	NA	NA
+PJ016091	SSTEEM 	C25H42N6O14S	682.248	NA	PeJP	NA	NA
+PJ016092	AAEMMM 	C26H46N6O9S3	682.2489	NA	PeJP	NA	NA
+PJ016093	GSDMHH 	C26H38N10O10S	682.2493	NA	PeJP	NA	NA
+PJ016094	SSCCQR 	C23H42N10O10S2	682.2527	NA	PeJP	NA	NA
+PJ016095	CNNFW 	C31H38N8O8S	682.2534	NA	PeJP	NA	NA
+PJ016096	DDDRY 	C27H38N8O13	682.2559	NA	PeJP	NA	NA
+PJ016097	GSCCKW 	C28H42N8O8S2	682.2567	NA	PeJP	NA	NA
+MJ090345	3-[[6-[[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]amino]-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]oxy]-N-(2,6-dimethylphenyl)propanamide 	C36H38N6O6S	682.257353	NA	MeJP	NA	NA
+PJ016098	GSSSSQM 	C24H42N8O13S	682.2592	NA	PeJP	NA	NA
+PJ016099	GEEYW 	C32H38N6O11	682.2599	NA	PeJP	NA	NA
+PJ016100	DMMMR 	C25H46N8O8S3	682.2601	NA	PeJP	NA	NA
+PJ016101	PCMFW 	C33H42N6O6S2	682.2607	NA	PeJP	NA	NA
+MJ090346	Picrioside A 	C36H42O13	682.262541	NA	MeJP	NA	NA
+PJ016102	GSPEMY 	C29H42N6O11S	682.2633	NA	PeJP	NA	NA
+PJ016103	CLMMW 	C30H46N6O6S3	682.2641	NA	PeJP	NA	NA
+PJ016104	TCHHW 	C30H38N10O7S	682.2646	NA	PeJP	NA	NA
+PJ016105	ATTEMM 	C26H46N6O11S2	682.2666	NA	PeJP	NA	NA
+PJ016106	SSSEHH 	C26H38N10O12	682.2671	NA	PeJP	NA	NA
+PJ016107	QMMHH 	C27H42N10O7S2	682.268	NA	PeJP	NA	NA
+PJ016108	GSSSSCR 	C23H42N10O12S	682.2705	NA	PeJP	NA	NA
+PJ016109	SNNYW 	C31H38N8O10	682.2711	NA	PeJP	NA	NA
+PJ016110	ACCCKR 	C24H46N10O7S3	682.2713	NA	PeJP	NA	NA
+PJ016111	NQQMY 	C28H42N8O10S	682.2745	NA	PeJP	NA	NA
+PJ016112	EYWW 	C36H38N6O8	682.2751	NA	PeJP	NA	NA
+PJ016113	SSSSSTQ 	C24H42N8O15	682.277	NA	PeJP	NA	NA
+MJ090347	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6,9-Dibenzoyl, 8-cinnamoyl, 1-Ac 	C40H42O10	682.277797	NA	MeJP	NA	NA
+PJ016114	SSCQKM 	C25H46N8O10S2	682.2779	NA	PeJP	NA	NA
+PJ016115	GNNNQH 	C25H38N12O11	682.2783	NA	PeJP	NA	NA
+PJ016116	GGGGGGGQH 	C25H38N12O11	682.2784	NA	PeJP	NA	NA
+PJ016117	SPMYW 	C33H42N6O8S	682.2785	NA	PeJP	NA	NA
+PJ016118	CMHHR 	C26H42N12O6S2	682.2792	NA	PeJP	NA	NA
+PJ016119	DKEEY 	C29H42N6O13	682.281	NA	PeJP	NA	NA
+PJ016120	AAPMMY 	C30H46N6O8S2	682.2819	NA	PeJP	NA	NA
+PJ016121	NEHHF 	C30H38N10O9	682.2823	NA	PeJP	NA	NA
+PJ016122	GGEHHF 	C30H38N10O9	682.2824	NA	PeJP	NA	NA
+MJ090348	Myricanol; 5-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C33H46O15	682.28367	NA	MeJP	NA	NA
+MJ090349	Myricanol; 5-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H46O15	682.28367	NA	MeJP	NA	NA
+PJ016123	TTTTEM 	C26H46N6O13S	682.2844	NA	PeJP	NA	NA
+PJ016124	ASLMMM 	C27H50N6O8S3	682.2852	NA	PeJP	NA	NA
+PJ016125	GTLMMM 	C27H50N6O8S3	682.2853	NA	PeJP	NA	NA
+PJ016126	CNQRY 	C27H42N10O9S	682.2857	NA	PeJP	NA	NA
+MJ090350	Curacautine 	C39H42N2O9	682.28903	NA	MeJP	NA	NA
+PJ016127	SSCCKR 	C24H46N10O9S2	682.2891	NA	PeJP	NA	NA
+PJ016128	SEERY 	C28H42N8O12	682.2922	NA	PeJP	NA	NA
+PJ016129	GGGSDKY 	C28H42N8O12	682.2923	NA	PeJP	NA	NA
+PJ016130	APPMMH 	C29H46N8O7S2	682.2931	NA	PeJP	NA	NA
+PJ016131	GSSSSKM 	C25H46N8O12S	682.2956	NA	PeJP	NA	NA
+PJ016132	SVEYW 	C33H42N6O10	682.2963	NA	PeJP	NA	NA
+PJ016133	ACCKKM 	C26H50N8O7S3	682.2965	NA	PeJP	NA	NA
+PJ016134	GPCNHR 	C26H42N12O8S	682.297	NA	PeJP	NA	NA
+PJ016135	GHHFW 	C34H38N10O6	682.2976	NA	PeJP	NA	NA
+8222	antioxidative peptide	NYKQM	682.2983	NA  ;SYN:(2S)-2-Aminopentanedioate; (2S)-2-Aminopentanedioic acid; (S)-(+)-Glutamate; (S)-(+)-Glutamic acid; (S)-2-Aminopentanedioate; (S)-2-Aminopentanedioic acid; (S)-Glutamate; (S)-Glutamic acid; 1-Aminopropane-1,3-dicarboxylate; 1-Aminopropane-1,3-dicarboxylic acid; 1-amino-propane-1,3-dicarboxylate; 1-amino-propane-1,3-dicarboxylic acid; 2-Aminoglutarate; 2-Aminoglutaric acid; 2-Aminopentanedioate; 2-Aminopentanedioic acid; Aciglut; E; Glusate; Glutacid;  Glutamicol; Glutamidex; Glutaminate; Glutaminic acid; Glutaminol; Glutaton; L-(+)-Glutamate; L-(+)-Glutamic acid; L-Glutamate; L-Glutaminate; L-Glutaminic acid; L-a-Aminoglutarate; L-a-Aminoglutaric acid; L-glu; a-Aminoglutarate; a-Aminoglutaric acid; a-Glutamate; a-Glutamic acid; aminoglutarate; aminoglutaric acid; glt; glu; glut; L-alpha-Aminoglutarate; L-alpha-Aminoglutaric acid; alpha-Aminoglutarate; alpha-Aminoglutaric acid; alpha-Glutamate; alpha-Glutamic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ090351	4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 5-Cinnamoyl, 2,7,9,13-tetra-Ac 	C37H46O12	682.298926	NA	MeJP	NA	NA
+MJ090352	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, 3,6,7,20-tetra-Ac 	C37H46O12	682.298926	NA	MeJP	NA	NA
+MJ090353	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, 3,6,7,9-tetra-Ac 	C37H46O12	682.298926	NA	MeJP	NA	NA
+MJ090354	Agrimols; Agrimol A 	C37H46O12	682.298926	NA	MeJP	NA	NA
+MJ090355	Agrimols; Agrimol B 	C37H46O12	682.298926	NA	MeJP	NA	NA
+MJ090356	Protokosin 	C37H46O12	682.298926	NA	MeJP	NA	NA
+PJ016136	LQEMY 	C30H46N6O10S	682.2996	NA	PeJP	NA	NA
+MJ090357	Cimilophytine 	C38H42N4O8	682.300264	NA	MeJP	NA	NA
+PJ016137	STTLMM 	C27H50N6O10S2	682.303	NA	PeJP	NA	NA
+PJ016138	GSSNRY 	C27H42N10O11	682.3035	NA	PeJP	NA	NA
+PJ016139	KMMHH 	C28H46N10O6S2	682.3044	NA	PeJP	NA	NA
+PJ016140	NQQFF 	C32H42N8O9	682.3075	NA	PeJP	NA	NA
+MJ090358	Glaudelsine; O6-Me, N-de-Et, N-formyl 	C36H46N2O11	682.31016	NA	MeJP	NA	NA
+MJ090359	Lycaconitine; O6,O14-Di-de-Me, O6-Ac 	C36H46N2O11	682.31016	NA	MeJP	NA	NA
+PJ016141	VDMRY 	C29H46N8O9S	682.3109	NA	PeJP	NA	NA
+PJ016142	APFYW 	C37H42N6O7	682.3115	NA	PeJP	NA	NA
+PJ016143	SSSSSTK 	C25H46N8O14	682.3134	NA	PeJP	NA	NA
+PJ016144	SSCKKM 	C26H50N8O9S2	682.3142	NA	PeJP	NA	NA
+PJ016145	NQEHR 	C26H42N12O10	682.3147	NA	PeJP	NA	NA
+PJ016146	ALMYW 	C34H46N6O7S	682.3149	NA	PeJP	NA	NA
+PJ016147	GTTLEY 	C30H46N6O12	682.3174	NA	PeJP	NA	NA
+PJ016148	AALMMF 	C31H50N6O7S2	682.3183	NA	PeJP	NA	NA
+PJ016149	VNQHW 	C31H42N10O8	682.3187	NA	PeJP	NA	NA
+MJ090360	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 17-Epimer, 3-O-[?-D-xylopyranosyl(1?4)-?-D-digitoxoside] 	C34H50O14	682.320056	NA	MeJP	NA	NA
+MJ090361	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-?-D-Xylopyranosyl(1?4)-?-D-digitoxoside 	C34H50O14	682.320056	NA	MeJP	NA	NA
+PJ016150	CNKRY 	C28H46N10O8S	682.3221	NA	PeJP	NA	NA
+PJ016151	PPHFW 	C36H42N8O6	682.3228	NA	PeJP	NA	NA
+C09441	Fetidine	C40H46N2O8	682.3254	NA	KEGG	NA	NA
+MJ090362	Fauridine 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090363	Isopyruthaline; O5,O14-Bis(demethoxy), 1'-epimer 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090364	Istanbulamine; O7'-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090365	Thalicarpine; N2'-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090366	Thalicarpine; N6-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090367	Thalicarpine; O1-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090368	Thalicarpine; O4''-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090369	Thalicarpine; O5''-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090370	Thalicarpine; O6'-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090371	Thalicarpine; O7'-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090372	Thalifaberine; O1-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090373	Thalifaberine; O3-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090374	Thalifaberine; O6'-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090375	Thalifaberine; O7'-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090376	Thalirevolutine; O1-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090377	Thalirevolutine; O4''-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090378	Thalirevolutine; O7'-De-Me 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090379	Thalistine; O5-Me ether 	C40H46N2O8	682.325416	NA	MeJP	NA	NA
+MJ090380	Thalistine; N2-Me 	C40H47N2O8(+)	682.325416	NA	MeJP	NA	NA
+PJ016152	PLMHW 	C33H46N8O6S	682.3261	NA	PeJP	NA	NA
+PJ016153	GSTQKY 	C29H46N8O11	682.3286	NA	PeJP	NA	NA
+PJ016154	GGGAPPLD 	C29H46N8O11	682.3287	NA	PeJP	NA	NA
+PJ016155	VMMFR 	C30H50N8O6S2	682.3295	NA	PeJP	NA	NA
+PJ016156	GQHRW 	C30H42N12O7	682.33	NA	PeJP	NA	NA
+PJ016157	TTLYW 	C34H46N6O9	682.3326	NA	PeJP	NA	NA
+MJ090381	Dichotomin A; 6-L-Threonine analogue 	C34H46N6O9	682.332627	NA	MeJP	NA	NA
+PJ016158	GAPLYY 	C34H46N6O9	682.3327	NA	PeJP	NA	NA
+MJ090382	3,14-Dihydroxycard-20(22)-enolide, 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C38H50O11	682.335312	NA	MeJP	NA	NA
+PJ016159	LKEMY 	C31H50N6O9S	682.336	NA	PeJP	NA	NA
+PJ016160	LEEHR 	C28H46N10O10	682.3399	NA	PeJP	NA	NA
+PJ016161	PHHHR 	C29H42N14O6	682.3412	NA	PeJP	NA	NA
+MJ090383	Pseudostellarin B 	C33H46N8O8	682.34386	NA	MeJP	NA	NA
+PJ016162	VLEHW 	C33H46N8O8	682.3439	NA	PeJP	NA	NA
+C08699	Methyllycaconitine	C37H50N2O10	682.3465	NA	KEGG	NA	NA
+MJ090384	Glaudelsine; O6-Me 	C37H50N2O10	682.346545	NA	MeJP	NA	NA
+MJ090385	Lycaconitine; O8-Me 	C37H50N2O10	682.346545	NA	MeJP	NA	NA
+PJ016163	TLMRY 	C30H50N8O8S	682.3472	NA	PeJP	NA	NA
+PJ016164	NKKMY 	C30H50N8O8S	682.3473	NA	PeJP	NA	NA
+PJ016165	ALFFW 	C38H46N6O6	682.3479	NA	PeJP	NA	NA
+PJ016166	NKEHR 	C27H46N12O9	682.3511	NA	PeJP	NA	NA
+PJ016167	SSTLLY 	C31H50N6O11	682.3538	NA	PeJP	NA	NA
+PJ016168	PPQRW 	C32H46N10O7	682.3551	NA	PeJP	NA	NA
+MJ090386	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090387	3,14,16-Trihydroxycard-20(22)-enolide, Glycoside 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090388	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090389	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-fucoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090390	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090391	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxyguloside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090392	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090393	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-L-fucopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090394	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1??)-6-deoxy-D-allopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090395	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+MJ090396	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O13	682.356441	NA	MeJP	NA	NA
+PJ016169	APCKKH 	C29H50N10O7S	682.3585	NA	PeJP	NA	NA
+PJ016170	SQHRR 	C26H46N14O8	682.3623	NA	PeJP	NA	NA
+PJ016171	GSTKKY 	C30H50N8O10	682.365	NA	PeJP	NA	NA
+PJ016172	GKHRW 	C31H46N12O6	682.3664	NA	PeJP	NA	NA
+PJ016173	PLKYY 	C35H50N6O8	682.369	NA	PeJP	NA	NA
+MJ090397	Antibiotic VM 44866; 26-O-(3-Methyl-2-butenoyloxy) 	C39H54O10	682.371697	NA	MeJP	NA	NA
+PJ016174	SPPLNR 	C29H50N10O9	682.3762	NA	PeJP	NA	NA
+PJ016175	GPPKER 	C29H50N10O9	682.3763	NA	PeJP	NA	NA
+MJ090398	Fla-P4; 3-Chloro 	C44H55ClO4	682.378887	NA	MeJP	NA	NA
+PJ016176	GPPVKW 	C34H50N8O7	682.3803	NA	PeJP	NA	NA
+PJ016177	GLLLMH 	C31H54N8O7S	682.3837	NA	PeJP	NA	NA
+PJ016178	GPPTRR 	C28H50N12O8	682.3875	NA	PeJP	NA	NA
+PJ016179	PPKRW 	C33H50N10O6	682.3915	NA	PeJP	NA	NA
+MJ090399	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 23,24-Dihydro, 3-O-?-D-glucopyranoside 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090400	2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090401	2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid, Glycoside 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090402	2,3,19,23,24-Pentahydroxy-12-oleanen-28-oic acid, ?-D-Galactopyranosyl ester 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090403	2,3,19,23,24-Pentahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090404	2,3,6,19,23-Pentahydroxy-12-oleanen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090405	2,3,6,19,23-Pentahydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090406	2,3,7,19,23-Pentahydroxy-12-ursen-28-oic acid, ?-D-Glucopyranosyl ester 	C36H58O12	682.392827	NA	MeJP	NA	NA
+MJ090407	20,24-Epoxy-2,3,16,25,26-pentahydroxycucurbit-5-en-11-one, 2-O-?-D-Glucopyranoside 	C36H58O12	682.392827	NA	MeJP	NA	NA
+PJ016180	SKHRR 	C27H50N14O7	682.3987	NA	PeJP	NA	NA
+PJ016181	STLLLH 	C31H54N8O9	682.4014	NA	PeJP	NA	NA
+PJ016182	LLKFY 	C36H54N6O7	682.4054	NA	PeJP	NA	NA
+PJ016183	PPLLLM 	C33H58N6O7S	682.4088	NA	PeJP	NA	NA
+PJ016184	SPPVKR 	C30H54N10O8	682.4126	NA	PeJP	NA	NA
+PJ016185	GGAPLLR 	C30H54N10O8	682.4127	NA	PeJP	NA	NA
+PJ016186	AAPLRR 	C29H54N12O7	682.4239	NA	PeJP	NA	NA
+PJ016187	PVLLLE 	C33H58N6O9	682.4266	NA	PeJP	NA	NA
+MJ090408	Cholest-4-ene-3,7,12,26-tetrol, 4,5-Dihydro, 7-O-(6-O-acetyl-?-D-galactopyranoside), 26-Ac 	C37H62O11	682.429212	NA	MeJP	NA	NA
+MJ090409	Laidlomycin; 26-Deoxy 	C37H62O11	682.429212	NA	MeJP	NA	NA
+3894	temporin H	LSPVIGNLLKSLL~	682.43095	MH2+	Inhouse_peptide	NA	peptide
+PJ016188	PVRRR 	C28H54N14O6	682.4351	NA	PeJP	NA	NA
+PJ016189	PPTLKK 	C32H58N8O8	682.4378	NA	PeJP	NA	NA
+MJ090410	Sartortuic acid; Me ester 	C41H62O8	682.444468	NA	MeJP	NA	NA
+PJ016190	GPLLKR 	C31H58N10O7	682.449	NA	PeJP	NA	NA
+MJ090411	Criamide A; N1-Me 	C36H58N8O5	682.453017	NA	MeJP	NA	NA
+MJ090412	2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13,14,15-Hexahydro, 10,11,14,15-tetrahydroxy, 14-Ac, 11-O-?-D-mannopyranoside 	C38H66O10	682.465598	NA	MeJP	NA	NA
+PJ016191	PVVLKK 	C33H62N8O7	682.4742	NA	PeJP	NA	NA
+MJ090413	Mutadione D 	C42H66O7	682.480854	NA	MeJP	NA	NA
+PJ016192	VLLLLL 	C35H66N6O7	682.4993	NA	PeJP	NA	NA
+MetaCyc04047	2-octaprenyl-6-methoxy-1,4-benzoquinone []	C47H70O3	682.532496	NA	metacyc	NA	NA
+MetaCyc04048	3-octaprenyl-4-hydroxybenzoate []	C47H70O3	682.532496	NA	metacyc	NA	NA
+C05809	3-Octaprenyl-4-hydroxybenzoate	C47H70O3	682.5325	NA	KEGG	NA	NA
+C05813	2-Octaprenyl-6-methoxy-1,4-benzoquinone	C47H70O3	682.5325	NA	KEGG	NA	NA
+MJ090414	Antibiotic WA 8242; Antibiotic WA 8242A1 	C39H74N2O7	682.549602	NA	MeJP	NA	NA
+MJ090415	Antibiotic WA 8242; Antibiotic WA 8242A2 	C39H74N2O7	682.549602	NA	MeJP	NA	NA
+MJ090416	Iristectorene A 	C44H74O5	682.553625	NA	MeJP	NA	NA
+MJ090417	3,13-Oleananediol, 3-Hexadecanoyl 	C46H82O3	682.626396	NA	MeJP	NA	NA
+C04494	Guanosine 3'-diphosphate 5'-triphosphate	C10H18N5O20P5	682.9233	NA	KEGG	NA	NA
+C04496	Mannosyl-oligosaccharide Glc3Man9GlcNAc2	C10H18N5O20P5	682.9233	NA	KEGG	NA	NA
+MJ090418	Guanosine 3'-diphosphate 5'-triphosphate 	C10H18N5O20P5	682.92332	NA	MeJP	NA	NA
+MetaCyc04049	guanosine pentaphosphate [guanosine-5P;]	C10H18N5O20P5	682.923321	38918-96-6	metacyc	NA	NA
+MetaCyc04050	guanosine 3'-diphosphate 5'-triphosphate [guanosine pentaphosphate;pppGpp;guanosine 5'-triphosphate,3'-diphosphate;]	C10H18N5O20P5	682.923321	NA	metacyc	NA	NA
+MJ090419	Bis[N-(2,6-dimethylacetanilido)iminodiacetato]technetate(III)(1-) 	C28H32N4O10Tc(-)	683.126883	NA	MeJP	NA	NA
+MJ090420	Thuringiensin; 6?3-Lactone 	C22H30N5O18P	683.132345	NA	MeJP	NA	NA
+C04856	(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	C21H31N7O15P2	683.1353	NA	KEGG	NA	NA
+C04857	2,3-Di-O-acyl-1-O-(6-O-alpha-D-galactosyl-beta-D-galactosyl)-D-	C17H26O15R2	683.1353	NA	KEGG	NA	NA
+FL7AAGGL0029	Delphinidin 3-(6''-malonylsambubioside)	C29H31O19	683.14595	178275-91-7	knapsack	NA	NA
+PJ016193	CCNDDD 	C22H33N7O14S2	683.1527	NA	PeJP	NA	NA
+PJ016194	GSPCCCD 	C23H37N7O11S3	683.1714	NA	PeJP	NA	NA
+FL7AAHGL0019	Petunidin 3-glucoside-5-(6''-acetylglucoside)	C30H35O18	683.18233	202661-56-1	knapsack	NA	NA
+PJ016195	CCCNNQ 	C22H37N9O10S3	683.1826	NA	PeJP	NA	NA
+PJ016196	SCNDDM 	C23H37N7O13S2	683.1891	NA	PeJP	NA	NA
+PJ016197	PCCCQM 	C24H41N7O8S4	683.19	NA	PeJP	NA	NA
+PJ016198	GSSCCNN 	C22H37N9O12S2	683.2003	NA	PeJP	NA	NA
+PJ016199	GGGGGSSCC 	C22H37N9O12S2	683.2004	NA	PeJP	NA	NA
+PJ016200	PCCCCR 	C23H41N9O7S4	683.2012	NA	PeJP	NA	NA
+PJ016201	GSCCEW 	C27H37N7O10S2	683.2044	NA	PeJP	NA	NA
+PJ016202	GSSSCDE 	C23H37N7O15S	683.2069	NA	PeJP	NA	NA
+PJ016203	GCNEMM 	C24H41N7O10S3	683.2077	NA	PeJP	NA	NA
+PJ016204	GCCDMR 	C23H41N9O9S3	683.219	NA	PeJP	NA	NA
+PJ016205	SCCWW 	C31H37N7O7S2	683.2196	NA	PeJP	NA	NA
+PJ016206	SSSCDW 	C27H37N7O12S	683.2221	NA	PeJP	NA	NA
+PJ016207	CNMMW 	C28H41N7O7S3	683.223	NA	PeJP	NA	NA
+PJ016208	SSSSSDD 	C23H37N7O17	683.2246	NA	PeJP	NA	NA
+PJ016209	SSNDMM 	C24H41N7O12S2	683.2255	NA	PeJP	NA	NA
+PJ016210	PCCCKM 	C25H45N7O7S4	683.2264	NA	PeJP	NA	NA
+PJ016211	GCCQHH 	C25H37N11O8S2	683.2268	NA	PeJP	NA	NA
+PJ016212	DEEEY 	C28H37N5O15	683.2286	NA	PeJP	NA	NA
+PJ016213	GCNNNY 	C26H37N9O11S	683.2333	NA	PeJP	NA	NA
+PJ016214	GGGCNNY 	C26H37N9O11S	683.2334	NA	PeJP	NA	NA
+PJ016215	SSCCER 	C23H41N9O11S2	683.2367	NA	PeJP	NA	NA
+PJ016216	CNDFW 	C31H37N7O9S	683.2374	NA	PeJP	NA	NA
+PJ016217	GSNDEY 	C27H37N7O14	683.2399	NA	PeJP	NA	NA
+PJ016218	GSTCMW 	C28H41N7O9S2	683.2407	NA	PeJP	NA	NA
+PJ016219	GSSSSEM 	C24H41N7O14S	683.2432	NA	PeJP	NA	NA
+PJ016220	GSQMMM 	C25H45N7O9S3	683.2441	NA	PeJP	NA	NA
+PJ016221	SSCNHH 	C25H37N11O10S	683.2446	NA	PeJP	NA	NA
+PJ016222	EEEMF 	C29H41N5O12S	683.2473	NA	PeJP	NA	NA
+PJ016223	SPNDDH 	C26H37N9O13	683.2511	NA	PeJP	NA	NA
+PJ016224	EMMHH 	C27H41N9O8S2	683.252	NA	PeJP	NA	NA
+PJ016225	SNDYW 	C31H37N7O11	683.2551	NA	PeJP	NA	NA
+PJ016226	ATCCMR 	C24H45N9O8S3	683.2553	NA	PeJP	NA	NA
+PJ016227	GSCMMR 	C24H45N9O8S3	683.2554	NA	PeJP	NA	NA
+PJ016228	CMHFF 	C32H41N7O6S2	683.256	NA	PeJP	NA	NA
+PJ016229	SSSSMW 	C28H41N7O11S	683.2585	NA	PeJP	NA	NA
+PJ016230	SSSSSTE 	C24H41N7O16	683.261	NA	PeJP	NA	NA
+PJ016231	SSTQMM 	C25H45N7O11S2	683.2619	NA	PeJP	NA	NA
+PJ016232	GNNNEH 	C25H37N11O12	683.2623	NA	PeJP	NA	NA
+PJ016233	GGGNNEH 	C25H37N11O12	683.2624	NA	PeJP	NA	NA
+PJ016234	GCCKHH 	C26H41N11O7S2	683.2632	NA	PeJP	NA	NA
+PJ016235	DEHHF 	C30H37N9O10	683.2664	NA	PeJP	NA	NA
+PJ016236	CNERY 	C27H41N9O10S	683.2697	NA	PeJP	NA	NA
+PJ016237	GGPVCDH 	C27H41N9O10S	683.2698	NA	PeJP	NA	NA
+PJ016238	SSTCMR 	C24H45N9O10S2	683.2731	NA	PeJP	NA	NA
+PJ016239	GQMYW 	C32H41N7O8S	683.2737	NA	PeJP	NA	NA
+PJ016240	GGAMYW 	C32H41N7O8S	683.2738	NA	PeJP	NA	NA
+PJ016241	ASSQEY 	C28H41N7O13	683.2762	NA	PeJP	NA	NA
+PJ016242	GSTQEY 	C28H41N7O13	683.2763	NA	PeJP	NA	NA
+PJ016243	APCCKY 	C29H45N7O8S2	683.2771	NA	PeJP	NA	NA
+PJ016244	NNNHW 	C29H37N11O9	683.2776	NA	PeJP	NA	NA
+PJ016245	GSSTTTM 	C25H45N7O13S	683.2796	NA	PeJP	NA	NA
+PJ016246	PEEFY 	C33H41N5O11	683.2803	NA	PeJP	NA	NA
+PJ016247	GSKMMM 	C26H49N7O8S3	683.2805	NA	PeJP	NA	NA
+PJ016248	GPCDHR 	C26H41N11O9S	683.281	NA	PeJP	NA	NA
+PJ016249	LEEMY 	C30H45N5O11S	683.2837	NA	PeJP	NA	NA
+PJ016250	GCRYW 	C31H41N9O7S	683.285	NA	PeJP	NA	NA
+PJ016251	GSSDRY 	C27H41N9O12	683.2875	NA	PeJP	NA	NA
+PJ016252	CQMFR 	C28H45N9O7S2	683.2884	NA	PeJP	NA	NA
+PJ016253	STQYW 	C32H41N7O10	683.2915	NA	PeJP	NA	NA
+MJ090421	Perdeacyldecipinone; 17-(3-Pyridinecarbonyl), 3,7,13-tri-Ac 	C36H45NO12	683.294175	NA	MeJP	NA	NA
+MJ090422	Rifamycin G; 16,17-Didehydro 	C36H45NO12	683.294175	NA	MeJP	NA	NA
+C14727	27-O-Demethyl-rifamycin SV	C36H45NO12	683.2942	NA	KEGG	NA	NA
+PJ016254	NKEMY 	C29H45N7O10S	683.2949	NA	PeJP	NA	NA
+PJ016255	SSSTTTT 	C25H45N7O15	683.2974	NA	PeJP	NA	NA
+PJ016256	SSTKMM 	C26H49N7O10S2	683.2982	NA	PeJP	NA	NA
+PJ016257	TTTCKM 	C26H49N7O10S2	683.2983	NA	PeJP	NA	NA
+PJ016258	NEEHR 	C26H41N11O11	683.2987	NA	PeJP	NA	NA
+PJ016259	GGGGGDKH 	C26H41N11O11	683.2988	NA	PeJP	NA	NA
+PJ016260	CCFRR 	C27H45N11O6S2	683.2996	NA	PeJP	NA	NA
+PJ016261	LNDHW 	C31H41N9O9	683.3027	NA	PeJP	NA	NA
+PJ016262	VNEHW 	C31H41N9O9	683.3028	NA	PeJP	NA	NA
+PJ016263	SQMRY 	C28H45N9O9S	683.3061	NA	PeJP	NA	NA
+PJ016264	GQFFW 	C36H41N7O7	683.3068	NA	PeJP	NA	NA
+PJ016265	GSNNHR 	C25H41N13O10	683.31	NA	PeJP	NA	NA
+2578	NA	PSQQQP	683.31	celiac toxic	Inhouse_peptide	NA	peptide
+PJ016266	GKMYW 	C33H45N7O7S	683.3101	NA	PeJP	NA	NA
+PJ016267	GPPPMW 	C33H45N7O7S	683.3102	NA	PeJP	NA	NA
+HMDB03362	Chitin	C28H49N3O16	683.311279	NA	HMDB2010	NA	NA
+HMDB03362	Chitin	C28H49N3O16	683.31128	http://www.hmdb.ca/metabolites/HMDB03362	HMDB	NA	NA
+HMDB03362	Chitin	C28H49N3O16	683.31128	HMDB03362	PFEM_hmdb_metabocards_official	NA	NA
+PJ016268	GSTKEY 	C29H45N7O12	683.3126	NA	PeJP	NA	NA
+PJ016269	PPVNEE 	C29H45N7O12	683.3127	NA	PeJP	NA	NA
+PJ016270	QKMMF 	C30H49N7O7S2	683.3135	NA	PeJP	NA	NA
+PJ016271	GEHRW 	C30H41N11O8	683.314	NA	PeJP	NA	NA
+PJ016272	PLEYY 	C34H45N5O10	683.3167	NA	PeJP	NA	NA
+PJ016273	SCRRY 	C27H45N11O8S	683.3173	NA	PeJP	NA	NA
+PJ016274	GSPMHR 	C27H45N11O8S	683.3174	NA	PeJP	NA	NA
+PJ016275	GVHWW 	C35H41N9O6	683.318	NA	PeJP	NA	NA
+PJ016276	LMHHF 	C32H45N9O6S	683.3214	NA	PeJP	NA	NA
+PJ016277	GSTTRY 	C28H45N9O11	683.3239	NA	PeJP	NA	NA
+MJ090423	Thiazinotrienomycin C 	C36H49N3O8S	683.324036	NA	MeJP	NA	NA
+PJ016278	CKMFR 	C29H49N9O6S2	683.3247	NA	PeJP	NA	NA
+PJ016279	STKYW 	C33H45N7O9	683.3279	NA	PeJP	NA	NA
+PJ016280	HRWW 	C34H41N11O5	683.3292	NA	PeJP	NA	NA
+MJ090424	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,7,13-tri-Ac 	C37H49NO11	683.330561	NA	MeJP	NA	NA
+PJ016281	DKKMY 	C30H49N7O9S	683.3313	NA	PeJP	NA	NA
+PJ016282	DKEHR 	C27H45N11O10	683.3351	NA	PeJP	NA	NA
+7805	ACE inhibitor from as2-casein	ALNEINQFYQK	683.3369	MH2+	Inhouse_peptide	NA	peptide
+PJ016283	PPERW 	C32H45N9O8	683.3391	NA	PeJP	NA	NA
+PJ016284	GGGPLHF 	C32H45N9O8	683.3392	NA	PeJP	NA	NA
+PJ016285	SKMRY 	C29H49N9O8S	683.3425	NA	PeJP	NA	NA
+PJ016286	PPVWW 	C37H45N7O6	683.3432	NA	PeJP	NA	NA
+PJ016287	SEHRR 	C26H45N13O9	683.3463	NA	PeJP	NA	NA
+8142	peptide derived from wheat gluten	AQIPQQ	683.347	stimulating	Inhouse_peptide	NA	peptide
+PJ016288	SSSLKY 	C30H49N7O11	683.349	NA	PeJP	NA	NA
+PJ016289	KKMMF 	C31H53N7O6S2	683.3499	NA	PeJP	NA	NA
+PJ016290	SVHRW 	C31H45N11O7	683.3504	NA	PeJP	NA	NA
+MJ090425	Leucomycin B; Leucomycin B3 	C34H53NO13	683.35169	NA	MeJP	NA	NA
+PJ016291	LLEFY 	C35H49N5O9	683.353	NA	PeJP	NA	NA
+PJ016292	LQMHR 	C28H49N11O7S	683.3537	NA	PeJP	NA	NA
+PJ016293	GALMHR 	C28H49N11O7S	683.3538	NA	PeJP	NA	NA
+PJ016294	SPPVER 	C29H49N9O10	683.3603	NA	PeJP	NA	NA
+PJ016295	APPTLW 	C34H49N7O8	683.3643	NA	PeJP	NA	NA
+PJ016296	CLHRR 	C27H49N13O6S	683.365	NA	PeJP	NA	NA
+PJ016297	PPVLQM 	C31H53N7O8S	683.3677	NA	PeJP	NA	NA
+MJ090426	Exochelin MN 	C28H49N11O9	683.371472	NA	MeJP	NA	NA
+PJ016298	GTTLHR 	C28H49N11O9	683.3715	NA	PeJP	NA	NA
+PJ016299	TLKHW 	C33H49N9O7	683.3755	NA	PeJP	NA	NA
+MJ090427	Curromycin A; 30-Demethoxy 	C37H53N3O9	683.37818	NA	MeJP	NA	NA
+MJ090428	Oxazolomycin; 13',16-Dimethyl 	C37H53N3O9	683.37818	NA	MeJP	NA	NA
+PJ016300	APPLMR 	C30H53N9O7S	683.3789	NA	PeJP	NA	NA
+PJ016301	PQQRR 	C27H49N13O8	683.3827	NA	PeJP	NA	NA
+PJ016302	GGAAPRR 	C27H49N13O8	683.3828	NA	PeJP	NA	NA
+PJ016303	PPTLKE 	C31H53N7O10	683.3854	NA	PeJP	NA	NA
+PJ016304	PKHFR 	C32H49N11O6	683.3868	NA	PeJP	NA	NA
+MJ090429	Mycinamycin VI; 14?-Hydroxy 	C35H57NO12	683.388076	NA	MeJP	NA	NA
+PJ016305	LLLYY 	C36H53N5O8	683.3894	NA	PeJP	NA	NA
+PJ016306	LKMHR 	C29H53N11O6S	683.3901	NA	PeJP	NA	NA
+PJ016307	SSLLKH 	C30H53N9O9	683.3966	NA	PeJP	NA	NA
+PJ016308	GPLLER 	C30H53N9O9	683.3967	NA	PeJP	NA	NA
+PJ016309	GPVLLW 	C35H53N7O7	683.4007	NA	PeJP	NA	NA
+PJ016310	PPVLKM 	C32H57N7O7S	683.4041	NA	PeJP	NA	NA
+PJ016311	GPVQKR 	C29H53N11O8	683.4079	NA	PeJP	NA	NA
+PJ016312	PLLRW 	C34H53N9O6	683.4119	NA	PeJP	NA	NA
+PJ016313	PQKRR 	C28H53N13O7	683.4191	NA	PeJP	NA	NA
+PJ016314	PVVLKE 	C32H57N7O9	683.4218	NA	PeJP	NA	NA
+MJ090430	Pseudodestruxin A 	C37H57N5O7	683.425799	NA	MeJP	NA	NA
+PJ016315	SPVLLR 	C31H57N9O8	683.433	NA	PeJP	NA	NA
+PJ016316	GGPVVKK 	C31H57N9O8	683.4331	NA	PeJP	NA	NA
+PJ016317	GPVKKR 	C30H57N11O7	683.4443	NA	PeJP	NA	NA
+MJ090431	Antibiotic SF 1902A5 	C34H61N5O9	683.446928	NA	MeJP	NA	NA
+HMDB08832	PE(14:0/18:4(6Z,9Z,12Z,15Z))	C37H66NO8P	683.452576	NA	HMDB2010	NA	NA
+HMDB08863	PE(14:1(9Z)/18:3(6Z,9Z,12Z))	C37H66NO8P	683.452576	NA	HMDB2010	NA	NA
+HMDB08864	PE(14:1(9Z)/18:3(9Z,12Z,15Z))	C37H66NO8P	683.452576	NA	HMDB2010	NA	NA
+HMDB09119	PE(18:3(6Z,9Z,12Z)/14:1(9Z))	C37H66NO8P	683.452576	NA	HMDB2010	NA	NA
+HMDB09152	PE(18:3(9Z,12Z,15Z)/14:1(9Z))	C37H66NO8P	683.452576	NA	HMDB2010	NA	NA
+HMDB09184	PE(18:4(6Z,9Z,12Z,15Z)/14:0)	C37H66NO8P	683.452576	NA	HMDB2010	NA	NA
+PJ016318	PKKRR 	C29H57N13O6	683.4555	NA	PeJP	NA	NA
+PJ016319	PTLLLK 	C33H61N7O8	683.4582	NA	PeJP	NA	NA
+MJ090432	Pregnane-3,20-diamine, N-Hexa-Me 	C27H52N22(+)	683.466704	NA	MeJP	NA	NA
+PJ016320	GLLLLR 	C32H61N9O7	683.4694	NA	PeJP	NA	NA
+PJ016321	VVLLLK 	C34H65N7O7	683.4946	NA	PeJP	NA	NA
+MJ090433	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxy-24-methylpentacosanoyl) 	C42H85NO5	683.642774	NA	MeJP	NA	NA
+3890	temporin F	FLPLIGKVLSGIL~	683.938	MH2+	Inhouse_peptide	NA	peptide
+MJ090434	Pirazmonam 	C22H24N10O12S2	684.101657	NA	MeJP	NA	NA
+MJ090435	Trianellinone 	C39H24O12	684.126776	NA	MeJP	NA	NA
+PJ016322	CCDDDD 	C22H32N6O15S2	684.1367	NA	PeJP	NA	NA
+MJ090436	Rubroside H 	C31H35Cl3N2O9	684.140813	NA	MeJP	NA	NA
+MetaCyc04051	(6S)-6-&beta;-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide []	C21H32N7O15P2	684.143161	NA	metacyc	NA	NA
+MJ090437	Blepharismins; Blepharismin 2 	C40H28O11	684.163161	NA	MeJP	NA	NA
+PJ016323	CCCNNE 	C22H36N8O11S3	684.1666	NA	PeJP	NA	NA
+PJ016324	SCDDDM 	C23H36N6O14S2	684.1731	NA	PeJP	NA	NA
+PJ016325	PCCCEM 	C24H40N6O9S4	684.174	NA	PeJP	NA	NA
+PJ016326	GCCCNW 	C26H36N8O8S3	684.1819	NA	PeJP	NA	NA
+PJ016327	GSSCCND 	C22H36N8O13S2	684.1844	NA	PeJP	NA	NA
+FL5FDDGS0004	5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside;2-[2-[(4-O-beta-D-Galactopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-5-methoxyphenyl]-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one	C30H36O18	684.19016	345909-83-3	knapsack	NA	NA
+FL5FECGS0031	Chrysosplenol C 6,4'-diglucoside	C30H36O18	684.19016	64190-92-7	knapsack	NA	NA
+FL5FECGS0068	Veronicafolin 3-glucosyl-(1->3)-galactoside;Quercetagetin 6,7,3'-trimethyl ether 3-glucosyl-(1->3)-galactoside	C30H36O18	684.19016	-	knapsack	NA	NA
+FL5FFLGS0001	3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone 5-glucosyl-(1->2)-galactoside;5-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-3-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one	C30H36O18	684.19016	527704-25-2	knapsack	NA	NA
+FL5FGAGS0003	7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside	C30H36O18	684.19016	-	knapsack	NA	NA
+FL5FGCGL0002	Limocitrol 3-neohesperidoside	C30H36O18	684.19016	122327-80-4	knapsack	NA	NA
+MJ090438	2',4',5,5',6,7-Hexahydroxyflavone; 2',5',6-Tri-Me ether, 4',7-di-O-?-D-glucopyranoside 	C30H36O18	684.190164	NA	MeJP	NA	NA
+MJ090439	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H36O18	684.190164	NA	MeJP	NA	NA
+MJ090440	3,3',4',5,6,7-Hexahydroxyflavone; 4',6,7-Tri-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C30H36O18	684.190164	NA	MeJP	NA	NA
+MJ090441	3,3',5-Trihydroxy-4',6,7-trimethoxyflavone; 3-O-Digalactoside 	C30H36O18	684.190164	NA	MeJP	NA	NA
+MJ090442	3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid, 2-O-[?-D-Glucopyranosyl-(?4)-3,4-dihydroxy-E-cinnamoyl], 4'-O-?-D-glucopyranoside 	C30H36O18	684.190164	NA	MeJP	NA	NA
+MJ090443	Clemochinenoside A 	C30H36O18	684.190164	NA	MeJP	NA	NA
+PJ016328	GCDEMM 	C24H40N6O11S3	684.1918	NA	PeJP	NA	NA
+PJ016329	SCCNQM 	C23H40N8O10S3	684.203	NA	PeJP	NA	NA
+MJ090444	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2,9-Tris(3-furancarbonyl), 6,14-di-Ac 	C34H36O15	684.20542	NA	MeJP	NA	NA
+MJ090445	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), di-Ac 	C34H36O15	684.20542	NA	MeJP	NA	NA
+MJ090446	1,2,6,9,14-Pentahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), di-Ac 	C34H36O15	684.20542	NA	MeJP	NA	NA
+PJ016330	GCDDEF 	C27H36N6O13S	684.2061	NA	PeJP	NA	NA
+PJ016331	CDMMW 	C28H40N6O8S3	684.207	NA	PeJP	NA	NA
+PJ016332	SSDDMM 	C24H40N6O13S2	684.2095	NA	PeJP	NA	NA
+PJ016333	PTCCMM 	C25H44N6O8S4	684.2104	NA	PeJP	NA	NA
+PJ016334	ACCDHH 	C25H36N10O9S2	684.2108	NA	PeJP	NA	NA
+PJ016335	GCCEHH 	C25H36N10O9S2	684.2109	NA	PeJP	NA	NA
+PJ016336	SCCCNR 	C22H40N10O9S3	684.2142	NA	PeJP	NA	NA
+PJ016337	GCNNDY 	C26H36N8O12S	684.2174	NA	PeJP	NA	NA
+PJ016338	GSSSCNM 	C23H40N8O12S2	684.2207	NA	PeJP	NA	NA
+PJ016339	CDDFW 	C31H36N6O10S	684.2214	NA	PeJP	NA	NA
+PJ016340	GSDDEY 	C27H36N6O15	684.2239	NA	PeJP	NA	NA
+PJ016341	GPCDMY 	C28H40N6O10S2	684.2248	NA	PeJP	NA	NA
+PJ016342	CCHHW 	C29H36N10O6S2	684.2261	NA	PeJP	NA	NA
+MJ090447	Catalpol; 6-O-[(4-Hydroxy-3-methoxy-E-cinnamoyl)-(?3)-?-L-rhamnopyranoside] 	C31H40O17	684.226549	NA	MeJP	NA	NA
+MJ090448	Catalpol; 6-O-[(4-Hydroxy-3-methoxy-Z-cinnamoyl)-(?4)-?-L-rhamnopyranoside] 	C31H40O17	684.226549	NA	MeJP	NA	NA
+MJ090449	Loganic acid; 7-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-E-cinnamoyl] 	C31H40O17	684.226549	NA	MeJP	NA	NA
+PJ016343	GSEMMM 	C25H44N6O10S3	684.2281	NA	PeJP	NA	NA
+PJ016344	SSCDHH 	C25H36N10O11S	684.2286	NA	PeJP	NA	NA
+MJ090450	Citbismine B; N10'-Me 	C37H36N2O11	684.23191	NA	MeJP	NA	NA
+PJ016345	SPDDDH 	C26H36N8O14	684.2351	NA	PeJP	NA	NA
+PJ016346	GCNNMF 	C27H40N8O9S2	684.236	NA	PeJP	NA	NA
+PJ016347	SSSSSCQ 	C23H40N8O14S	684.2385	NA	PeJP	NA	NA
+PJ016348	SDDYW 	C31H36N6O12	684.2391	NA	PeJP	NA	NA
+PJ016349	SCCNKM 	C24H44N8O9S3	684.2394	NA	PeJP	NA	NA
+PJ016350	NEEMY 	C28H40N6O12S	684.2425	NA	PeJP	NA	NA
+PJ016351	SMMMW 	C29H44N6O7S3	684.2434	NA	PeJP	NA	NA
+PJ016352	SSTEMM 	C25H44N6O12S2	684.2459	NA	PeJP	NA	NA
+PJ016353	GNNDEH 	C25H36N10O13	684.2464	NA	PeJP	NA	NA
+PJ016354	AAMMMM 	C26H48N6O7S4	684.2468	NA	PeJP	NA	NA
+PJ016355	GTCMHH 	C26H40N10O8S2	684.2472	NA	PeJP	NA	NA
+PJ016356	GSNNMY 	C27H40N8O11S	684.2537	NA	PeJP	NA	NA
+PJ016357	CDERY 	C27H40N8O11S	684.2538	NA	PeJP	NA	NA
+PJ016358	GSSSSSSS 	C23H40N8O16	684.2562	NA	PeJP	NA	NA
+PJ016359	GSSTCCK 	C24H44N8O11S2	684.2571	NA	PeJP	NA	NA
+PJ016360	GEMYW 	C32H40N6O9S	684.2578	NA	PeJP	NA	NA
+PJ016361	GSTEEY 	C28H40N6O14	684.2603	NA	PeJP	NA	NA
+PJ016362	GSPMMY 	C29H44N6O9S2	684.2611	NA	PeJP	NA	NA
+PJ016363	GAEMMF 	C29H44N6O9S2	684.2612	NA	PeJP	NA	NA
+PJ016364	NNDHW 	C29H36N10O10	684.2616	NA	PeJP	NA	NA
+MJ090451	3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan, 3,3'-Di-Me ether, 4,4'-di-O-?-D-glucopyranoside 	C32H44O16	684.262935	NA	MeJP	NA	NA
+MJ090452	Bruceolide; 15-(3-Methylbutanoyl), 3-O-?-D-glucopyranoside 	C32H44O16	684.262935	NA	MeJP	NA	NA
+MJ090453	Bruceosin; 2',3'-Dihydro, 2-O-?-D-glucopyranoside 	C32H44O16	684.262935	NA	MeJP	NA	NA
+MJ090454	Yadanzioside D; 15-De-Ac, 15-(3-methyl-2-butenoyl) 	C32H44O16	684.262935	NA	MeJP	NA	NA
+PJ016365	ATTMMM 	C26H48N6O9S3	684.2645	NA	PeJP	NA	NA
+PJ016366	SSSMHH 	C26H40N10O10S	684.265	NA	PeJP	NA	NA
+MJ090455	Thomasic acid, 9'-Carboxylic acid, bis(4-hydroxyphenylethylamide) 	C38H40N2O10	684.268295	NA	MeJP	NA	NA
+PJ016367	PDMHW 	C31H40N8O8S	684.269	NA	PeJP	NA	NA
+PJ016368	SSSNQY 	C27H40N8O13	684.2715	NA	PeJP	NA	NA
+PJ016369	CEMFR 	C28H44N8O8S2	684.2724	NA	PeJP	NA	NA
+PJ016370	MYWW 	C36H40N6O6S	684.273	NA	PeJP	NA	NA
+PJ016371	SSSSSCK 	C24H44N8O13S	684.2749	NA	PeJP	NA	NA
+PJ016372	STEYW 	C32H40N6O11	684.2755	NA	PeJP	NA	NA
+PJ016373	TCCCKK 	C25H48N8O8S3	684.2758	NA	PeJP	NA	NA
+PJ016374	AMMFW 	C33H44N6O6S2	684.2764	NA	PeJP	NA	NA
+MJ090456	EP4 	C36H44O13	684.278191	NA	MeJP	NA	NA
+MJ090457	Humilinolide A; 3-Deacyl, 3-tigloyl, 2,6-di-Ac 	C36H44O13	684.278191	NA	MeJP	NA	NA
+MJ090458	Mombasol; 2'-Ketone 	C36H44O13	684.278191	NA	MeJP	NA	NA
+MJ090459	Picrioside A; 11?,13-Dihydro 	C36H44O13	684.278191	NA	MeJP	NA	NA
+PJ016375	DKEMY 	C29H44N6O11S	684.2789	NA	PeJP	NA	NA
+PJ016376	NMHHF 	C30H40N10O7S	684.2802	NA	PeJP	NA	NA
+PJ016377	GGMHHF 	C30H40N10O7S	684.2803	NA	PeJP	NA	NA
+PJ016378	TTTTMM 	C26H48N6O11S2	684.2823	NA	PeJP	NA	NA
+PJ016379	DEEHR 	C26H40N10O12	684.2827	NA	PeJP	NA	NA
+PJ016380	GGGTQEH 	C26H40N10O12	684.2828	NA	PeJP	NA	NA
+PJ016381	VDEHW 	C31H40N8O10	684.2868	NA	PeJP	NA	NA
+MJ090460	Antibiotic 301B; 5-O-Deglycosyl 	C35H44N2O12	684.289424	NA	MeJP	NA	NA
+PJ016382	SEMRY 	C28H44N8O10S	684.2901	NA	PeJP	NA	NA
+PJ016383	GGGPPPTC 	C28H44N8O10S	684.2902	NA	PeJP	NA	NA
+PJ016384	GPYYW 	C36H40N6O8	684.2908	NA	PeJP	NA	NA
+PJ016385	GSNDHR 	C25H40N12O11	684.294	NA	PeJP	NA	NA
+PJ016386	SVMYW 	C33H44N6O8S	684.2941	NA	PeJP	NA	NA
+PJ016387	GAPMFY 	C33H44N6O8S	684.2942	NA	PeJP	NA	NA
+PJ016388	SSSLEY 	C29H44N6O13	684.2966	NA	PeJP	NA	NA
+PJ016389	ATTTEY 	C29H44N6O13	684.2967	NA	PeJP	NA	NA
+PJ016390	LQMMY 	C30H48N6O8S2	684.2975	NA	PeJP	NA	NA
+PJ016391	SQQHW 	C30H40N10O9	684.298	NA	PeJP	NA	NA
+PJ016392	AAQQMH 	C27H44N10O9S	684.3014	NA	PeJP	NA	NA
+MJ090461	Thalidasine; 5-Hydroxy, N2-oxide (?-) 	C39H44N2O9	684.304681	NA	MeJP	NA	NA
+MJ090462	Thalifaberine; 5'-Hydroxy, O3,O9-di-de-Me 	C39H44N2O9	684.304681	NA	MeJP	NA	NA
+PJ016393	PCFRY 	C32H44N8O7S	684.3054	NA	PeJP	NA	NA
+PJ016394	FFWW 	C40H40N6O5	684.306	NA	PeJP	NA	NA
+PJ016395	SSSNKY 	C28H44N8O12	684.3079	NA	PeJP	NA	NA
+PJ016396	CLMRY 	C29H48N8O7S2	684.3088	NA	PeJP	NA	NA
+PJ016397	GPTHHH 	C29H40N12O8	684.3092	NA	PeJP	NA	NA
+MJ090463	Brassicicolin A 	C32H48N2O14	684.310554	NA	MeJP	NA	NA
+PJ016398	PDKYY 	C33H44N6O10	684.3119	NA	PeJP	NA	NA
+PJ016399	NQMHR 	C26H44N12O8S	684.3126	NA	PeJP	NA	NA
+MJ090464	3,5,7,8,14,15-Hexahydroxy-6(17),11-jatrophadien-9-one, 3-Benzoyl, 8-(2-methylpropanoyl), 5,7,14-tri-Ac 	C37H48O12	684.314577	NA	MeJP	NA	NA
+PJ016400	GTTLMY 	C30H48N6O10S	684.3153	NA	PeJP	NA	NA
+C18005	gamma-L-Glutamyl-butirosin B	C26H48N6O15	684.3178	NA	KEGG	NA	NA
+C18006	gamma-L-Glutamyl-[acp]	C5H8NO3SR	684.3178	NA	KEGG	NA	NA
+C18007	4-Aminobutyryl-[acp]	C4H8NOSR	684.3178	NA	KEGG	NA	NA
+C18008	gamma-L-Glutamyl-4-aminobutyryl-[acp]	C9H15N2O4SR	684.3178	NA	KEGG	NA	NA
+C18009	gamma-L-Glutamyl-4-amino-2-hydroxybutyryl-[acp]	C9H15N2O5SR	684.3178	NA	KEGG	NA	NA
+PJ016401	SPPNDR 	C27H44N10O11	684.3191	NA	PeJP	NA	NA
+PJ016402	GGGGGGPVQ 	C27H44N10O11	684.3192	NA	PeJP	NA	NA
+PJ016403	TLEHW 	C32H44N8O9	684.3231	NA	PeJP	NA	NA
+PJ016404	GPPTQW 	C32H44N8O9	684.3232	NA	PeJP	NA	NA
+PJ016405	CNHRR 	C25H44N14O7S	684.3238	NA	PeJP	NA	NA
+PJ016406	GGCHRR 	C25H44N14O7S	684.3239	NA	PeJP	NA	NA
+MJ090465	Alldimycin B; 4-Deoxy 	C36H48N2O11	684.32581	NA	MeJP	NA	NA
+MJ090466	Antibiotic K 502; Antibiotic K 502C 	C36H48N2O11	684.32581	NA	MeJP	NA	NA
+MJ090467	Roseorubicin A; 4B-Deglycosyl 	C36H48N2O11	684.32581	NA	MeJP	NA	NA
+PJ016407	GSCKKY 	C29H48N8O9S	684.3265	NA	PeJP	NA	NA
+PJ016408	GLFYW 	C37H44N6O7	684.3272	NA	PeJP	NA	NA
+MJ090468	Ohchinin; 3-O-Tigloyl 	C41H48O9	684.329833	NA	MeJP	NA	NA
+PJ016409	GSTQHR 	C26H44N12O10	684.3304	NA	PeJP	NA	NA
+PJ016410	PKMFY 	C34H48N6O7S	684.3305	NA	PeJP	NA	NA
+PJ016411	GALMFF 	C34H48N6O7S	684.3306	NA	PeJP	NA	NA
+MJ090469	Serpentinine 	C42H44N4O5	684.33117	NA	MeJP	NA	NA
+PJ016412	STTTLY 	C30H48N6O12	684.333	NA	PeJP	NA	NA
+PJ016413	PPTLEE 	C30H48N6O12	684.3331	NA	PeJP	NA	NA
+PJ016414	LKMMY 	C31H52N6O7S2	684.3339	NA	PeJP	NA	NA
+PJ016415	SQKHW 	C31H44N10O8	684.3344	NA	PeJP	NA	NA
+MJ090470	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?5)-xylofuranoside] 	C34H52O14	684.335706	NA	MeJP	NA	NA
+MJ090471	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-allopyranoside] 	C34H52O14	684.335706	NA	MeJP	NA	NA
+MJ090472	4,18:11,16:15,16-Triepoxy-2,6,15,19-clerodanetetrol, 19-[3S-[3S-(3S-Hydroxybutanoyloxy)butanoyloxy]butanoyl], 6-Ac 	C34H52O14	684.335706	NA	MeJP	NA	NA
+PJ016416	LEMHR 	C28H48N10O8S	684.3378	NA	PeJP	NA	NA
+PJ016417	PVHFW 	C36H44N8O6	684.3384	NA	PeJP	NA	NA
+PJ016418	VLMHW 	C33H48N8O6S	684.3418	NA	PeJP	NA	NA
+PJ016419	SSLLEH 	C29H48N8O11	684.3443	NA	PeJP	NA	NA
+PJ016420	AALHHH 	C30H44N12O7	684.3456	NA	PeJP	NA	NA
+7514	ACE inhibitor (from soy protein)	NWGPLV	684.3469	antioxidative	Inhouse_peptide	NA	peptide
+PJ016421	VLQYY 	C34H48N6O9	684.3483	NA	PeJP	NA	NA
+PJ016422	GPPCRR 	C27H48N12O7S	684.349	NA	PeJP	NA	NA
+MJ090473	Dregeana 3 	C38H52O11	684.350962	NA	MeJP	NA	NA
+MJ090474	Heudelottin E 	C38H52O11	684.350962	NA	MeJP	NA	NA
+MJ090475	Wikstrotoxin C 	C38H52O11	684.350962	NA	MeJP	NA	NA
+PJ016423	PPVLEM 	C31H52N6O9S	684.3517	NA	PeJP	NA	NA
+8252	anticancer peptide	EQRPR	684.354	Tripeptides  ;SYN:(+)-Pantothenate; (+)-Pantothenic acid; (D)-(+)-Pantothenate; (D)-(+)-Pantothenic acid; Chick antidermatitis factor; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine; D-Pantothenate; D-Pantothenic acid; Pantothenate; Vitamin B5; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; delta-Pantothenate; delta-Pantothenic acid; (R)-pantothenateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ016424	GPVQER 	C28H48N10O10	684.3555	NA	PeJP	NA	NA
+PJ016425	VHHHR 	C29H44N14O6	684.3569	NA	PeJP	NA	NA
+PJ016426	GPPTKW 	C33H48N8O8	684.3595	NA	PeJP	NA	NA
+MJ090476	Delectinine; O18-(2-Acetamidobenzoyl), O14-(2-methylpropanoyl) 	C37H52N2O10	684.362195	NA	MeJP	NA	NA
+MJ090477	Marinobufagin; O3-(L-Glutaminylsuberoyl) 	C37H52N2O10	684.362195	NA	MeJP	NA	NA
+PJ016427	ATLLMH 	C30H52N8O8S	684.3629	NA	PeJP	NA	NA
+PJ016428	PKFFF 	C38H48N6O6	684.3636	NA	PeJP	NA	NA
+PJ016429	PQERR 	C27H48N12O9	684.3667	NA	PeJP	NA	NA
+PJ016430	GAPERR 	C27H48N12O9	684.3668	NA	PeJP	NA	NA
+PJ016431	LKMFF 	C35H52N6O6S	684.3669	NA	PeJP	NA	NA
+MJ090478	Raureflexine 	C43H48N4O4	684.367556	NA	MeJP	NA	NA
+PJ016432	PVVLEE 	C31H52N6O11	684.3694	NA	PeJP	NA	NA
+PJ016433	PVQRW 	C32H48N10O7	684.3708	NA	PeJP	NA	NA
+MJ090479	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranoside] 	C35H56O13	684.372091	NA	MeJP	NA	NA
+MJ090480	Chalcomycin; 8-Deoxy 	C35H56O13	684.372091	NA	MeJP	NA	NA
+MJ090481	Spirostane-2,3,5,6,24-pentol, 3-Ac, 2-O-?-D-glucopyranoside 	C35H56O13	684.372091	NA	MeJP	NA	NA
+PJ016434	GPPKMR 	C29H52N10O7S	684.3742	NA	PeJP	NA	NA
+PJ016435	TTTLLH 	C30H52N8O10	684.3807	NA	PeJP	NA	NA
+PJ016436	APRRW 	C31H48N12O6	684.382	NA	PeJP	NA	NA
+PJ016437	VLKYY 	C35H52N6O8	684.3847	NA	PeJP	NA	NA
+MJ090482	22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2,4-dimethyl-2-pentenoyl) 	C39H56O10	684.387348	NA	MeJP	NA	NA
+MJ090483	Antibiotic VM 44866; 13?-(2-Methylpropanoyloxy), 5-Me ether 	C39H56O10	684.387348	NA	MeJP	NA	NA
+MJ090484	Antibiotic VM 44866; 26-O-(3-Methylbutanoyloxy) 	C39H56O10	684.387348	NA	MeJP	NA	NA
+PJ016438	GPVKER 	C29H52N10O9	684.3919	NA	PeJP	NA	NA
+PJ016439	AAPLKW 	C34H52N8O7	684.3959	NA	PeJP	NA	NA
+PJ016440	PPCLKK 	C31H56N8O7S	684.3993	NA	PeJP	NA	NA
+PJ016441	PKERR 	C28H52N12O8	684.4031	NA	PeJP	NA	NA
+PJ016442	PTLLLE 	C32H56N6O10	684.4058	NA	PeJP	NA	NA
+PJ016443	PVKRW 	C33H52N10O6	684.4072	NA	PeJP	NA	NA
+MJ090485	3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginylpimeloyl) 	C37H56N4O8	684.409814	NA	MeJP	NA	NA
+PJ016444	PTRRR 	C27H52N14O7	684.4144	NA	PeJP	NA	NA
+PJ016445	SPLLQK 	C31H56N8O9	684.417	NA	PeJP	NA	NA
+PJ016446	APLKKE 	C31H56N8O9	684.4171	NA	PeJP	NA	NA
+PJ016447	PPVLLF 	C36H56N6O7	684.4211	NA	PeJP	NA	NA
+PJ016448	PVLLLM 	C33H60N6O7S	684.4245	NA	PeJP	NA	NA
+PJ016449	APTLKR 	C30H56N10O8	684.4283	NA	PeJP	NA	NA
+MJ090486	Mytiloxanthin; 19-Butanoyloxy 	C44H60O6	684.438989	NA	MeJP	NA	NA
+PJ016450	LLQRR 	C29H56N12O7	684.4395	NA	PeJP	NA	NA
+PJ016451	VVLLLE 	C33H60N6O9	684.4422	NA	PeJP	NA	NA
+MJ090487	Kijimycin 	C37H64O11	684.444862	NA	MeJP	NA	NA
+MJ090488	Monensin; Monensin C 	C37H64O11	684.444862	NA	MeJP	NA	NA
+PJ016452	VVRRR 	C28H56N14O6	684.4508	NA	PeJP	NA	NA
+PJ016453	SPLLKK 	C32H60N8O8	684.4534	NA	PeJP	NA	NA
+PJ016454	GAALLLK 	C32H60N8O8	684.4535	NA	PeJP	NA	NA
+MJ090489	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 21-(2-Hydroxymethyl-6-methoxy-6-methyl-2,7-octadienoyl) 	C41H64O8	684.460119	NA	MeJP	NA	NA
+MJ090490	Prednisolone; 21-(Octadecanoyloxyacetate) 	C41H64O8	684.460119	NA	MeJP	NA	NA
+PJ016455	GVLLKR 	C31H60N10O7	684.4647	NA	PeJP	NA	NA
+PJ016456	LLKRR 	C30H60N12O6	684.4759	NA	PeJP	NA	NA
+PJ016457	TLLLLL 	C34H64N6O8	684.4786	NA	PeJP	NA	NA
+PJ016458	ALLLKK 	C33H64N8O7	684.4898	NA	PeJP	NA	NA
+MJ090491	Methionaquinone 	C46H68O2S	684.494002	NA	MeJP	NA	NA
+MJ090492	Petroformyne 1; 6S-Hydroxy 	C46H68O4	684.51176	NA	MeJP	NA	NA
+MJ090493	Squalamine; N?-(3-Aminopropyl) 	C37H72N4O5S	684.522342	NA	MeJP	NA	NA
+MJ090494	13-Labdene-8,15-diol, 15,15'-Malonyl diester 	C43H72O6	684.53289	NA	MeJP	NA	NA
+MJ090495	Iristectorene A; 9',10'-Dihydro 	C44H76O5	684.569275	NA	MeJP	NA	NA
+MJ090496	3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, Pentatriacontyl ester 	C45H80O4	684.605661	NA	MeJP	NA	NA
+8148	peptide derived from rice bran proteins (Oryza sativa)	YFPVGGDRPESF	684.80745	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04052	3-dephospho-CoA []	C21H33N7O13P2S1	685.133228	NA	metacyc	NA	NA
+PJ016459	CCCNDE 	C22H35N7O12S3	685.1506	NA	PeJP	NA	NA
+PJ016460	GCCCDW 	C26H35N7O9S3	685.1659	NA	PeJP	NA	NA
+PJ016461	GSSCCDD 	C22H35N7O14S2	685.1684	NA	PeJP	NA	NA
+PJ016462	GPTCCCC 	C23H39N7O9S4	685.1692	NA	PeJP	NA	NA
+PJ016463	SCCNEM 	C23H39N7O11S3	685.187	NA	PeJP	NA	NA
+PJ016464	SCCCDR 	C22H39N9O10S3	685.1982	NA	PeJP	NA	NA
+PJ016465	GCNDDY 	C26H35N7O13S	685.2014	NA	PeJP	NA	NA
+PJ016466	GSCCMW 	C27H39N7O8S3	685.2023	NA	PeJP	NA	NA
+PJ016467	GSSTCCE 	C23H39N7O13S2	685.2047	NA	PeJP	NA	NA
+PJ016468	GSSSCDM 	C23H39N7O13S2	685.2048	NA	PeJP	NA	NA
+PJ016469	GCNMMM 	C24H43N7O8S4	685.2056	NA	PeJP	NA	NA
+PJ016470	ACCCMR 	C23H43N9O7S4	685.2169	NA	PeJP	NA	NA
+PJ016471	SSTCCW 	C27H39N7O10S2	685.22	NA	PeJP	NA	NA
+PJ016472	SSSSSCE 	C23H39N7O15S	685.2225	NA	PeJP	NA	NA
+PJ016473	SSCQMM 	C24H43N7O10S3	685.2234	NA	PeJP	NA	NA
+PJ016474	DEEMY 	C28H39N5O13S	685.2265	NA	PeJP	NA	NA
+PJ016475	GNDDEH 	C25H35N9O14	685.2304	NA	PeJP	NA	NA
+PJ016476	SSCCMR 	C23H43N9O9S3	685.2346	NA	PeJP	NA	NA
+PJ016477	CCQFW 	C31H39N7O7S2	685.2353	NA	PeJP	NA	NA
+PJ016478	GSNDMY 	C27H39N7O12S	685.2378	NA	PeJP	NA	NA
+PJ016479	GSSSSMM 	C24H43N7O12S2	685.2411	NA	PeJP	NA	NA
+PJ016480	ACCKMM 	C25H47N7O7S4	685.242	NA	PeJP	NA	NA
+PJ016481	EEMMF 	C29H43N5O10S2	685.2452	NA	PeJP	NA	NA
+PJ016482	NDDHW 	C29H35N9O11	685.2456	NA	PeJP	NA	NA
+PJ016483	SPCNEH 	C26H39N9O11S	685.249	NA	PeJP	NA	NA
+PJ016484	MMMHH 	C27H43N9O6S3	685.2499	NA	PeJP	NA	NA
+PJ016485	SCQYW 	C31H39N7O9S	685.253	NA	PeJP	NA	NA
+PJ016486	SSSNEY 	C27H39N7O14	685.2555	NA	PeJP	NA	NA
+PJ016487	NQMMY 	C28H43N7O9S2	685.2564	NA	PeJP	NA	NA
+MJ090497	Ipecosidic acid; 1-Epimer, 6-Me ether, N-de-Ac, 6''-O-?-D-glucopyranosyl 	C31H43NO16	685.258184	NA	MeJP	NA	NA
+PJ016488	SSSSSTM 	C24H43N7O14S	685.2589	NA	PeJP	NA	NA
+PJ016489	PDEYY 	C32H39N5O12	685.2595	NA	PeJP	NA	NA
+PJ016490	DEEFF 	C32H39N5O12	685.2596	NA	PeJP	NA	NA
+PJ016491	SSCKMM 	C25H47N7O9S3	685.2598	NA	PeJP	NA	NA
+PJ016492	GNNNMH 	C25H39N11O10S	685.2602	NA	PeJP	NA	NA
+PJ016493	GGGGGNMH 	C25H39N11O10S	685.2603	NA	PeJP	NA	NA
+PJ016494	GSPCHW 	C30H39N9O8S	685.2643	NA	PeJP	NA	NA
+PJ016495	GSQEEH 	C26H39N9O13	685.2668	NA	PeJP	NA	NA
+PJ016496	CNMRY 	C27H43N9O8S2	685.2676	NA	PeJP	NA	NA
+PJ016497	GSSSYW 	C31H39N7O11	685.2708	NA	PeJP	NA	NA
+PJ016498	CCKFW 	C32H43N7O6S2	685.2716	NA	PeJP	NA	NA
+MJ090498	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 9-(3-furancarbonyl), 14-(2-methylbutanoyl), 2,6-di-Ac 	C35H43NO13	685.27344	NA	MeJP	NA	NA
+MJ090499	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 1-(3-furancarbonyl), 6-(2-methylbutanoyl), 2,14-di-Ac 	C35H43NO13	685.27344	NA	MeJP	NA	NA
+MJ090500	Auramycin C 	C35H43NO13	685.27344	NA	MeJP	NA	NA
+PJ016499	GSTQMY 	C28H43N7O11S	685.2741	NA	PeJP	NA	NA
+PJ016500	GGGTTMY 	C28H43N7O11S	685.2742	NA	PeJP	NA	NA
+PJ016501	GSDDHR 	C25H39N11O12	685.278	NA	PeJP	NA	NA
+PJ016502	PEMFY 	C33H43N5O9S	685.2782	NA	PeJP	NA	NA
+PJ016503	APCCHR 	C26H43N11O7S2	685.2789	NA	PeJP	NA	NA
+PJ016504	LEMMY 	C30H47N5O9S2	685.2815	NA	PeJP	NA	NA
+PJ016505	SQEHW 	C30H39N9O10	685.282	NA	PeJP	NA	NA
+PJ016506	GSTCRY 	C27H43N9O10S	685.2854	NA	PeJP	NA	NA
+PJ016507	GNFYW 	C35H39N7O8	685.286	NA	PeJP	NA	NA
+PJ016508	SCKYW 	C32H43N7O8S	685.2894	NA	PeJP	NA	NA
+PJ016509	SSSDKY 	C28H43N7O13	685.2919	NA	PeJP	NA	NA
+MJ090501	Antibiotic CP 50833 	C36H47NO10S	685.292067	NA	MeJP	NA	NA
+PJ016510	NKMMY 	C29H47N7O8S2	685.2928	NA	PeJP	NA	NA
+PJ016511	VEEFY 	C33H43N5O11	685.2959	NA	PeJP	NA	NA
+PJ016512	NEMHR 	C26H43N11O9S	685.2966	NA	PeJP	NA	NA
+PJ016513	GTHWW 	C34H39N9O7	685.2973	NA	PeJP	NA	NA
+PJ016514	VNMHW 	C31H43N9O7S	685.3006	NA	PeJP	NA	NA
+PJ016515	GGVMHW 	C31H43N9O7S	685.3007	NA	PeJP	NA	NA
+PJ016516	SSSSRY 	C27H43N9O12	685.3031	NA	PeJP	NA	NA
+PJ016517	SPPDDR 	C27H43N9O12	685.3032	NA	PeJP	NA	NA
+PJ016518	APCKMH 	C28H47N9O7S2	685.304	NA	PeJP	NA	NA
+PJ016519	QQHHH 	C28H39N13O8	685.3045	NA	PeJP	NA	NA
+PJ016520	GPPTEW 	C32H43N7O10	685.3072	NA	PeJP	NA	NA
+PJ016521	CDHRR 	C25H43N13O8S	685.3079	NA	PeJP	NA	NA
+3642	NA	YPFGFG~	685.309	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ090502	Rifamycin G 	C36H47NO12	685.309825	NA	MeJP	NA	NA
+PJ016522	GSTKMY 	C29H47N7O10S	685.3105	NA	PeJP	NA	NA
+PJ016523	GPPVVCD 	C29H47N7O10S	685.3106	NA	PeJP	NA	NA
+PJ016524	PPFYY 	C37H43N5O8	685.3112	NA	PeJP	NA	NA
+PJ016525	GMHRW 	C30H43N11O6S	685.3119	NA	PeJP	NA	NA
+PJ016526	GSTEHR 	C26H43N11O11	685.3144	NA	PeJP	NA	NA
+PJ016527	PLMYY 	C34H47N5O8S	685.3145	NA	PeJP	NA	NA
+PJ016528	LEMFF 	C34H47N5O8S	685.3146	NA	PeJP	NA	NA
+PJ016529	SKEHW 	C31H43N9O9	685.3184	NA	PeJP	NA	NA
+PJ016530	GPPEMR 	C28H47N9O9S	685.3218	NA	PeJP	NA	NA
+PJ016531	PPTWW 	C36H43N7O7	685.3224	NA	PeJP	NA	NA
+MJ090503	Naphthomycin A; 30-Dechloro 	C40H47NO9	685.325082	NA	MeJP	NA	NA
+MJ090504	Tuberactinomycin N 	C25H43N13O10	685.325584	NA	MeJP	NA	NA
+MJ090505	Viomycin 	C25H43N13O10	685.325584	NA	MeJP	NA	NA
+MetaCyc04053	viomycin [Tuberactinomycin B;Celiomycin;Florimycin;Viocin;Vionactane;]	C25H43N13O10	685.325585	NA	metacyc	NA	NA
+MetaCyc04054	enviomycin [Tuberactinomycin N;(R)-1-(threo-4-Hydroxy-L-3,6-diaminohexanoic acid)-6-[L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine]viomycin;]	C25H43N13O10	685.325585	NA	metacyc	NA	NA
+C01540	Viomycin	C25H43N13O10	685.3256	NA	KEGG	NA	NA
+PJ016532	GPPVMW 	C33H47N7O7S	685.3258	NA	PeJP	NA	NA
+MJ090506	Adouetine Z; N-De-Me 	C41H43N5O5	685.326419	NA	MeJP	NA	NA
+PJ016533	SSTTKY 	C29H47N7O12	685.3283	NA	PeJP	NA	NA
+PJ016534	STHRW 	C30H43N11O8	685.3296	NA	PeJP	NA	NA
+PJ016535	GGGGPRW 	C30H43N11O8	685.3297	NA	PeJP	NA	NA
+PJ016536	VLEYY 	C34H47N5O10	685.3323	NA	PeJP	NA	NA
+PJ016537	DKMHR 	C27H47N11O8S	685.333	NA	PeJP	NA	NA
+PJ016538	VHHFF 	C35H43N9O6	685.3337	NA	PeJP	NA	NA
+PJ016539	PPMRW 	C32H47N9O6S	685.337	NA	PeJP	NA	NA
+PJ016540	GPVEER 	C28H47N9O11	685.3395	NA	PeJP	NA	NA
+MJ090507	Antrimycin; Antrimycin A 	C28H47N9O11	685.339503	NA	MeJP	NA	NA
+MJ090508	Antrimycin; Antrimycin Bv 	C28H47N9O11	685.339503	NA	MeJP	NA	NA
+PJ016541	GGGGPVDK 	C28H47N9O11	685.3396	NA	PeJP	NA	NA
+PJ016542	QKHHH 	C29H43N13O7	685.3409	NA	PeJP	NA	NA
+PJ016543	SSPPLW 	C33H47N7O9	685.3435	NA	PeJP	NA	NA
+PJ016544	AAPLEW 	C33H47N7O9	685.3436	NA	PeJP	NA	NA
+PJ016545	SMHRR 	C26H47N13O7S	685.3442	NA	PeJP	NA	NA
+MJ090509	4-Methylaconitane-1,3,6,8,14,16,18-heptol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-(4-methoxybenzoyl), 3,8-di-Ac 	C37H51NO11	685.346211	NA	MeJP	NA	NA
+PJ016546	PPVDKM 	C30H51N7O9S	685.3469	NA	PeJP	NA	NA
+PJ016547	PLFFY 	C38H47N5O7	685.3476	NA	PeJP	NA	NA
+3271	NA	VTGRGDSPASSKPI	685.35	MH2+	Inhouse_peptide	NA	peptide
+PJ016548	PEERR 	C27H47N11O10	685.3508	NA	PeJP	NA	NA
+PJ016549	LLMFY 	C35H51N5O7S	685.3509	NA	PeJP	NA	NA
+PJ016550	PVERW 	C32H47N9O8	685.3548	NA	PeJP	NA	NA
+C08661	Avadharidine	C36H51N3O10	685.3574	NA	KEGG	NA	NA
+MJ090510	Avadharidine 	C36H51N3O10	685.357444	NA	MeJP	NA	NA
+PJ016551	SPPVMR 	C29H51N9O8S	685.3582	NA	PeJP	NA	NA
+PJ016552	PVVWW 	C37H47N7O6	685.3588	NA	PeJP	NA	NA
+PJ016553	GSPNRR 	C26H47N13O9	685.362	NA	PeJP	NA	NA
+PJ016554	APLKEE 	C30H51N7O11	685.3647	NA	PeJP	NA	NA
+MJ090511	Polymastiamide A 	C38H55NO8S	685.364838	NA	MeJP	NA	NA
+PJ016555	VQHFR 	C31H47N11O7	685.366	NA	PeJP	NA	NA
+PJ016556	APTLER 	C29H51N9O10	685.3759	NA	PeJP	NA	NA
+PJ016557	AHFRR 	C30H47N13O6	685.3773	NA	PeJP	NA	NA
+PJ016558	GPTLLW 	C34H51N7O8	685.3799	NA	PeJP	NA	NA
+PJ016559	GGPPVLF 	C34H51N7O8	685.38	NA	PeJP	NA	NA
+PJ016560	PPTLKM 	C31H55N7O8S	685.3833	NA	PeJP	NA	NA
+MJ090512	2-[[[5-(2,6-Dimethoxyphenyl)-1-[4-[[[3-(dimethylamino)propyl]methylamino]carbonyl]-2-(1-methylethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]tricyclo[3.3.1.13,7]decane-2-carboxylic acid 	C39H51N5O6	685.383934	NA	MeJP	NA	NA
+PJ016561	LLFFF 	C39H51N5O6	685.384	NA	PeJP	NA	NA
+PJ016562	GPTQKR 	C28H51N11O9	685.3871	NA	PeJP	NA	NA
+PJ016563	ASPQKR 	C28H51N11O9	685.3872	NA	PeJP	NA	NA
+MJ090513	?-Substance IB 	C33H51N9O7	685.391145	NA	MeJP	NA	NA
+PJ016564	PQKKW 	C33H51N9O7	685.3912	NA	PeJP	NA	NA
+PJ016565	GPLLMR 	C30H55N9O7S	685.3946	NA	PeJP	NA	NA
+PJ016566	VQQRR 	C27H51N13O8	685.3984	NA	PeJP	NA	NA
+PJ016567	SPLLKE 	C31H55N7O10	685.4011	NA	PeJP	NA	NA
+PJ016568	VKHFR 	C32H51N11O6	685.4024	NA	PeJP	NA	NA
+PJ016569	AQRRR 	C26H51N15O7	685.4096	NA	PeJP	NA	NA
+PJ016570	GVLLER 	C30H55N9O9	685.4123	NA	PeJP	NA	NA
+PJ016571	AALLLW 	C35H55N7O7	685.4163	NA	PeJP	NA	NA
+MJ090514	Pregna-5,20-dien-3-ol, 3-O-(2-Acetamido-3-O-acetyl-2-deoxy-4,6-di-O-butanoyl-?-D-galactopyranoside) 	C39H59NO9	685.418982	NA	MeJP	NA	NA
+PJ016572	PVVLKM 	C32H59N7O7S	685.4197	NA	PeJP	NA	NA
+PJ016573	LLERR 	C29H55N11O8	685.4235	NA	PeJP	NA	NA
+PJ016574	GGGVLKR 	C29H55N11O8	685.4236	NA	PeJP	NA	NA
+PJ016575	VLLRW 	C34H55N9O6	685.4276	NA	PeJP	NA	NA
+PJ016576	VQKRR 	C28H55N13O7	685.4348	NA	PeJP	NA	NA
+PJ016577	ALLLKE 	C32H59N7O9	685.4375	NA	PeJP	NA	NA
+PJ016578	AKRRR 	C27H55N15O6	685.446	NA	PeJP	NA	NA
+PJ016579	ATLLLR 	C31H59N9O8	685.4487	NA	PeJP	NA	NA
+PJ016580	AALKKR 	C30H59N11O7	685.4599	NA	PeJP	NA	NA
+MJ090515	Pepstatins; Pepstatin A 	C34H63N5O9	685.462578	NA	MeJP	NA	NA
+C00773	Pepstatin	C34H63N5O9	685.4626	NA	KEGG	NA	NA
+HMDB08830	PE(14:0/18:3(6Z,9Z,12Z))	C37H68NO8P	685.468262	NA	HMDB2010	NA	NA
+HMDB08831	PE(14:0/18:3(9Z,12Z,15Z))	C37H68NO8P	685.468262	NA	HMDB2010	NA	NA
+HMDB08862	PE(14:1(9Z)/18:2(9Z,12Z))	C37H68NO8P	685.468262	NA	HMDB2010	NA	NA
+HMDB09086	PE(18:2(9Z,12Z)/14:1(9Z))	C37H68NO8P	685.468262	NA	HMDB2010	NA	NA
+HMDB09118	PE(18:3(6Z,9Z,12Z)/14:0)	C37H68NO8P	685.468262	NA	HMDB2010	NA	NA
+HMDB09151	PE(18:3(9Z,12Z,15Z)/14:0)	C37H68NO8P	685.468262	NA	HMDB2010	NA	NA
+PJ016581	VKKRR 	C29H59N13O6	685.4712	NA	PeJP	NA	NA
+PJ016582	SLLLLK 	C33H63N7O8	685.4738	NA	PeJP	NA	NA
+PJ016583	GLLKKK 	C32H63N9O7	685.4851	NA	PeJP	NA	NA
+MJ090516	2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxytetradecanoyl), 1-O-?-D-glucopyranoside 	C38H71NO9	685.512882	NA	MeJP	NA	NA
+7028	synthetic peptide from alpha-gliadin	QKQQQQPSSQVS	685.829	MH2+	Inhouse_peptide	NA	peptide
+5448	caeridin 7,1	GLLDMVTGLLGNLG	685.8646	MH2+	Inhouse_peptide	NA	peptide
+MJ090517	Iodipine 	C29H30F3IN2O6	686.110064	NA	MeJP	NA	NA
+PJ016584	CCCDDE 	C22H34N6O13S3	686.1346	NA	PeJP	NA	NA
+MJ090518	Gadopenamide 	C22H34GdN5O10	686.154667	NA	MeJP	NA	NA
+MJ090519	Elgonicadimer A 	C36H30O14	686.163555	NA	MeJP	NA	NA
+MJ090520	Podoverin C 	C36H30O14	686.163555	NA	MeJP	NA	NA
+PJ016585	CCCNNM 	C22H38N8O9S4	686.1645	NA	PeJP	NA	NA
+PJ016586	SCCDEM 	C23H38N6O12S3	686.171	NA	PeJP	NA	NA
+PJ016587	PCCCMM 	C24H42N6O7S5	686.1719	NA	PeJP	NA	NA
+PJ016588	GSSCCCQ 	C22H38N8O11S3	686.1822	NA	PeJP	NA	NA
+PJ016589	GGGSTCCC 	C22H38N8O11S3	686.1823	NA	PeJP	NA	NA
+MJ090521	2',5,5',6,7-Pentahydroxyflavanone, 6-Me ether, 2'-O-[2-O-(4-hydroxy-3,5-dimethoxycinnamoyl)-?-D-glucopyranoside] 	C33H34O16	686.184685	NA	MeJP	NA	NA
+MJ090522	Mayoside; 1-O-?-D-Glucopyranoside 	C33H34O16	686.184685	NA	MeJP	NA	NA
+PJ016590	GCDDDY 	C26H34N6O14S	686.1854	NA	PeJP	NA	NA
+PJ016591	PCCCDF 	C27H38N6O9S3	686.1863	NA	PeJP	NA	NA
+PJ016592	GCDMMM 	C24H42N6O9S4	686.1896	NA	PeJP	NA	NA
+MJ090523	Aloesin; 2',6'-Bis(4-hydroxy-E-cinnamoyl) 	C37H34O13	686.199941	NA	MeJP	NA	NA
+PJ016593	SSSSCCN 	C22H38N8O13S2	686.2	NA	PeJP	NA	NA
+PJ016594	CCCCQK 	C23H42N8O8S4	686.2009	NA	PeJP	NA	NA
+PJ016595	SPCCDY 	C27H38N6O11S2	686.204	NA	PeJP	NA	NA
+MJ090524	1,2,3,4,5,7-Hexahydroxyxanthone; 2,3,4,5,7-Penta-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C30H38O18	686.205814	NA	MeJP	NA	NA
+MJ090525	Catalpol; 6-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl] 	C30H38O18	686.205814	NA	MeJP	NA	NA
+MJ090526	Sucrose; 6'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',2,4,6-tetra-Ac 	C30H38O18	686.205814	NA	MeJP	NA	NA
+PJ016596	SSCEMM 	C24H42N6O11S3	686.2074	NA	PeJP	NA	NA
+PJ016597	GCCMHH 	C25H38N10O7S3	686.2087	NA	PeJP	NA	NA
+PJ016598	GDDDEH 	C25H34N8O15	686.2144	NA	PeJP	NA	NA
+PJ016599	GCCNQY 	C26H38N8O10S2	686.2153	NA	PeJP	NA	NA
+PJ016600	GSSCCCK 	C23H42N8O10S3	686.2186	NA	PeJP	NA	NA
+PJ016601	CCEFW 	C31H38N6O8S2	686.2193	NA	PeJP	NA	NA
+MJ090527	Aloesin; 2'-O-Cinnamoyl, 7-O-?-D-glucopyranoside 	C34H38O15	686.22107	NA	MeJP	NA	NA
+PJ016602	GSDDMY 	C27H38N6O13S	686.2218	NA	PeJP	NA	NA
+PJ016603	APCCMY 	C28H42N6O8S3	686.2226	NA	PeJP	NA	NA
+PJ016604	PVCCCY 	C28H42N6O8S3	686.2227	NA	PeJP	NA	NA
+PJ016605	GSMMMM 	C25H46N6O8S4	686.226	NA	PeJP	NA	NA
+PJ016606	STCCHH 	C25H38N10O9S2	686.2265	NA	PeJP	NA	NA
+MJ090528	1,10-Bis(2-hydroxyethylthio)decane; Bis[2-(4-chlorophenoxy)-2-methylpropanoyl] 	C34H48Cl2O6S2	686.226936	NA	MeJP	NA	NA
+MJ090529	Monomelittoside; 5-O-?-Sophoroside 	C27H42O20	686.226943	NA	MeJP	NA	NA
+PJ016607	DDDHW 	C29H34N8O12	686.2297	NA	PeJP	NA	NA
+PJ016608	SSCNNY 	C26H38N8O12S	686.233	NA	PeJP	NA	NA
+PJ016609	PPCCMH 	C27H42N8O7S3	686.2339	NA	PeJP	NA	NA
+MJ090530	6-Chloro-2,8,9,11,12,14-hexahydroxy-3,5(16)-briaradien-18,7-olide; 3?,4?-Epoxide, 12-butanoyl, 2,9,11,14-tetra-Ac 	C32H43ClO14	686.234133	NA	MeJP	NA	NA
+MJ090531	Julichrome Q6.6 	C38H38O12	686.236326	NA	MeJP	NA	NA
+PJ016610	SCEYW 	C31H38N6O10S	686.237	NA	PeJP	NA	NA
+PJ016611	CCCCKK 	C24H46N8O7S4	686.2373	NA	PeJP	NA	NA
+PJ016612	SSSDEY 	C27H38N6O15	686.2395	NA	PeJP	NA	NA
+PJ016613	PPDDDE 	C27H38N6O15	686.2396	NA	PeJP	NA	NA
+PJ016614	NEMMY 	C28H42N6O10S2	686.2404	NA	PeJP	NA	NA
+MJ090532	Excelsioside; O-?-D-Glucopyranoside 	C31H42O17	686.242199	NA	MeJP	NA	NA
+MJ090533	Isonuezhenide 	C31H42O17	686.242199	NA	MeJP	NA	NA
+MJ090534	Nuezhenide 	C31H42O17	686.242199	NA	MeJP	NA	NA
+MJ090535	Oleuropein; 3''-Deoxy, 6'-O-?-D-glucopyranosyl 	C31H42O17	686.242199	NA	MeJP	NA	NA
+MJ090536	Specnuezhenide 	C31H42O17	686.242199	NA	MeJP	NA	NA
+PJ016615	SSTMMM 	C25H46N6O10S3	686.2438	NA	PeJP	NA	NA
+PJ016616	GNNDMH 	C25H38N10O11S	686.2443	NA	PeJP	NA	NA
+PJ016617	GSEEEH 	C26H38N8O14	686.2508	NA	PeJP	NA	NA
+FL2FBANC0004	Calyxin J	C42H38O9	686.25158	332877-81-3	knapsack	NA	NA
+FL2FBANC0010	Epicalyxin J	C42H38O9	686.25158	332877-82-4	knapsack	NA	NA
+MJ090537	Calyxin I 	C42H38O9	686.251582	NA	MeJP	NA	NA
+MJ090538	Calyxin J 	C42H38O9	686.251582	NA	MeJP	NA	NA
+PJ016618	CDMRY 	C27H42N8O9S2	686.2516	NA	PeJP	NA	NA
+PJ016619	GGGCCKY 	C27H42N8O9S2	686.2517	NA	PeJP	NA	NA
+PJ016620	NDEFY 	C31H38N6O12	686.2548	NA	PeJP	NA	NA
+PJ016621	GMMYW 	C32H42N6O7S2	686.2557	NA	PeJP	NA	NA
+MJ090539	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 19-Benzoyl, 2,7,9,10-tetra-Ac 	C35H42O14	686.257456	NA	MeJP	NA	NA
+MJ090540	Phragmalin; Tri-Ac 	C35H42O14	686.257456	NA	MeJP	NA	NA
+MJ090541	Taxanine M 	C35H42O14	686.257456	NA	MeJP	NA	NA
+PJ016622	GSTEMY 	C28H42N6O12S	686.2582	NA	PeJP	NA	NA
+PJ016623	QMMMF 	C29H46N6O7S3	686.259	NA	PeJP	NA	NA
+PJ016624	CNQHW 	C29H38N10O8S	686.2595	NA	PeJP	NA	NA
+PJ016625	SSNNEH 	C25H38N10O13	686.262	NA	PeJP	NA	NA
+PJ016626	SEEHW 	C30H38N8O11	686.266	NA	PeJP	NA	NA
+PJ016627	AAEEMH 	C27H42N8O11S	686.2694	NA	PeJP	NA	NA
+PJ016628	GDFYW 	C35H38N6O9	686.2701	NA	PeJP	NA	NA
+PJ016629	CMMFR 	C28H46N8O6S3	686.2703	NA	PeJP	NA	NA
+PJ016630	GPCHHH 	C28H38N12O7S	686.2708	NA	PeJP	NA	NA
+PJ016631	STMYW 	C32H42N6O9S	686.2734	NA	PeJP	NA	NA
+PJ016632	SSTTEY 	C28H42N6O14	686.2759	NA	PeJP	NA	NA
+PJ016633	DKMMY 	C29H46N6O9S2	686.2768	NA	PeJP	NA	NA
+PJ016634	GSSNHW 	C29H38N10O10	686.2773	NA	PeJP	NA	NA
+3825	NA	GYYPTS	686.278	neuropeptide	Inhouse_peptide	NA	peptide
+MJ090542	19-Hydroxydeacetylnomilinic acid; 17-O-?-D-Glucopyranoside 	C32H46O16	686.278585	NA	MeJP	NA	NA
+MJ090543	Secoisolariciresinol, 9,9'-Di-O-?-D-glucopyranoside 	C32H46O16	686.278585	NA	MeJP	NA	NA
+MJ090544	Yadanzioside D; 15-De-Ac, 15-(3-methylbutanoyl) 	C32H46O16	686.278585	NA	MeJP	NA	NA
+PJ016635	DEMHR 	C26H42N10O10S	686.2806	NA	PeJP	NA	NA
+PJ016636	GGGGATMH 	C26H42N10O10S	686.2807	NA	PeJP	NA	NA
+MJ090545	Milliamine C; 3-O-Deacyl-5-O-acyl isomer, N1'-deacyl, 3,20-di-Ac 	C38H42N2O10	686.283945	NA	MeJP	NA	NA
+PJ016637	VDMHW 	C31H42N8O8S	686.2847	NA	PeJP	NA	NA
+PJ016638	ATTEEH 	C27H42N8O13	686.2872	NA	PeJP	NA	NA
+PJ016639	SMMRY 	C28H46N8O8S2	686.288	NA	PeJP	NA	NA
+PJ016640	QEHHH 	C28H38N12O9	686.2885	NA	PeJP	NA	NA
+PJ016641	GMFFW 	C36H42N6O6S	686.2887	NA	PeJP	NA	NA
+PJ016642	VNEYY 	C32H42N6O11	686.2912	NA	PeJP	NA	NA
+PJ016643	GSCQHR 	C25H42N12O9S	686.2919	NA	PeJP	NA	NA
+MJ090546	Mombasol 	C36H46O13	686.293841	NA	MeJP	NA	NA
+PJ016644	SSSLMY 	C29H46N6O11S	686.2945	NA	PeJP	NA	NA
+PJ016645	PPVDEM 	C29H46N6O11S	686.2946	NA	PeJP	NA	NA
+PJ016646	KMMMF 	C30H50N6O6S3	686.2954	NA	PeJP	NA	NA
+PJ016647	CNKHW 	C30H42N10O7S	686.2959	NA	PeJP	NA	NA
+MJ090547	Cryptophycin 5 	C36H47ClN2O9	686.297008	NA	MeJP	NA	NA
+PJ016648	GPNDER 	C26H42N10O12	686.2984	NA	PeJP	NA	NA
+PJ016649	PQQEW 	C31H42N8O10	686.3024	NA	PeJP	NA	NA
+PJ016650	AHHHW 	C32H38N12O6	686.3038	NA	PeJP	NA	NA
+MJ090548	Rhodomycin A; 3A-N-De-Me 	C35H46N2O12	686.305074	NA	MeJP	NA	NA
+MJ090549	Rhodomycin A; 3B-N-De-Me 	C35H46N2O12	686.305074	NA	MeJP	NA	NA
+PJ016651	GTLEMH 	C28H46N8O10S	686.3058	NA	PeJP	NA	NA
+PJ016652	GVYYW 	C36H42N6O8	686.3064	NA	PeJP	NA	NA
+MJ090550	11(15?1)-Abeo-4(20),11-taxadiene-5,7,9,10,13,15-hexol, 5-Cinnamoyl, 10-benzoyl, 7,9-di-Ac 	C40H46O10	686.309097	NA	MeJP	NA	NA
+MJ090551	12-Hydroxydaphnetoxin; 12?-form, 5,20-O-Isopropylidene, 12-(2Z,4Z,6Z-decatrienoyl) 	C40H46O10	686.309097	NA	MeJP	NA	NA
+MJ090552	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 2-Benzoyl, 5-cinnamoyl, 9,10-di-Ac 	C40H46O10	686.309097	NA	MeJP	NA	NA
+PJ016653	SSSNHR 	C25H42N12O11	686.3096	NA	PeJP	NA	NA
+PJ016654	VQMFY 	C33H46N6O8S	686.3098	NA	PeJP	NA	NA
+MJ090553	Vatanidipine 	C41H42N4O6	686.310435	NA	MeJP	NA	NA
+PJ016655	TTTTTY 	C29H46N6O13	686.3123	NA	PeJP	NA	NA
+PJ016656	PNDRW 	C30H42N10O9	686.3136	NA	PeJP	NA	NA
+PJ016657	GGPDRW 	C30H42N10O9	686.3137	NA	PeJP	NA	NA
+PJ016658	SPPCQR 	C27H46N10O9S	686.317	NA	PeJP	NA	NA
+PJ016659	APQWW 	C35H42N8O7	686.3177	NA	PeJP	NA	NA
+MJ090554	Naphthostatin; Naphthostatin D 	C39H46N2O9	686.320331	NA	MeJP	NA	NA
+PJ016660	TLMHW 	C32H46N8O7S	686.321	NA	PeJP	NA	NA
+PJ016661	GPPCKW 	C32H46N8O7S	686.3211	NA	PeJP	NA	NA
+PJ016662	STTLEH 	C28H46N8O12	686.3235	NA	PeJP	NA	NA
+PJ016663	GPQKEE 	C28H46N8O12	686.3236	NA	PeJP	NA	NA
+PJ016664	GVLMMH 	C29H50N8O7S2	686.3244	NA	PeJP	NA	NA
+PJ016665	NNHFR 	C29H42N12O8	686.3249	NA	PeJP	NA	NA
+3575	NA	QPQAFP	686.325	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ016666	VDKYY 	C33H46N6O10	686.3276	NA	PeJP	NA	NA
+PJ016667	GSCKHR 	C26H46N12O8S	686.3283	NA	PeJP	NA	NA
+MJ090555	Nimbolidin A; 7-Deacyl, 7-(2-methylpropanoyl) 	C37H50O12	686.330227	NA	MeJP	NA	NA
+MJ090556	Xyloccensin A; 2-Hydroxy 	C37H50O12	686.330227	NA	MeJP	NA	NA
+PJ016668	PPTLEM 	C30H50N6O10S	686.3309	NA	PeJP	NA	NA
+PJ016669	PMHFR 	C31H46N10O6S	686.3323	NA	PeJP	NA	NA
+MJ090557	22,23-Epoxyergost-9(11)-ene-3,6-diol, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C34H54O12S	686.333597	NA	MeJP	NA	NA
+PJ016670	GPTQER 	C27H46N10O11	686.3348	NA	PeJP	NA	NA
+PJ016671	LMMHR 	C28H50N10O6S2	686.3357	NA	PeJP	NA	NA
+PJ016672	THHHR 	C28H42N14O7	686.3361	NA	PeJP	NA	NA
+PJ016673	PQKEW 	C32H46N8O9	686.3388	NA	PeJP	NA	NA
+MJ090558	Puberaconitine 	C36H50N2O11	686.34146	NA	MeJP	NA	NA
+PJ016674	SSLLMH 	C29H50N8O9S	686.3422	NA	PeJP	NA	NA
+PJ016675	VQFFF 	C37H46N6O7	686.3428	NA	PeJP	NA	NA
+PJ016676	GSPDRR 	C26H46N12O10	686.346	NA	PeJP	NA	NA
+MJ090559	Comoramide B 	C34H50N6O7S	686.346168	NA	MeJP	NA	NA
+PJ016677	VKMFY 	C34H50N6O7S	686.3462	NA	PeJP	NA	NA
+MJ090560	Folicangine 	C42H46N4O5	686.34682	NA	MeJP	NA	NA
+MJ090561	Scandomelidine 	C42H46N4O5	686.34682	NA	MeJP	NA	NA
+PJ016678	SPLLEE 	C30H50N6O12	686.3487	NA	PeJP	NA	NA
+PJ016679	PPVLMM 	C31H54N6O7S2	686.3496	NA	PeJP	NA	NA
+PJ016680	PTQRW 	C31H46N10O8	686.35	NA	PeJP	NA	NA
+PJ016681	GGGPPFR 	C31H46N10O8	686.3501	NA	PeJP	NA	NA
+MJ090562	Neutramycin 	C34H54O14	686.351356	NA	MeJP	NA	NA
+PJ016682	GPVQMR 	C28H50N10O8S	686.3534	NA	PeJP	NA	NA
+PJ016683	APKWW 	C36H46N8O6	686.3541	NA	PeJP	NA	NA
+PJ016684	NNQRR 	C25H46N14O9	686.3572	NA	PeJP	NA	NA
+PJ016685	GGNQRR 	C25H46N14O9	686.3573	NA	PeJP	NA	NA
+PJ016686	GPKKEE 	C29H50N8O11	686.3599	NA	PeJP	NA	NA
+PJ016687	GGGAALLE 	C29H50N8O11	686.36	NA	PeJP	NA	NA
+PJ016688	TLKYY 	C34H50N6O9	686.3639	NA	PeJP	NA	NA
+PJ016689	PPVVEF 	C34H50N6O9	686.364	NA	PeJP	NA	NA
+PJ016690	PQMRR 	C27H50N12O7S	686.3646	NA	PeJP	NA	NA
+PJ016691	GAPMRR 	C27H50N12O7S	686.3647	NA	PeJP	NA	NA
+MJ090563	Antibiotic VM 44866; 23?-(2-Methylpropanoyloxy), 13?-hydroxy 	C38H54O11	686.366612	NA	MeJP	NA	NA
+PJ016692	PVVLEM 	C31H54N6O9S	686.3673	NA	PeJP	NA	NA
+PJ016693	GPTKER 	C28H50N10O10	686.3712	NA	PeJP	NA	NA
+PJ016694	PKKEW 	C33H50N8O8	686.3752	NA	PeJP	NA	NA
+PJ016695	PCRRR 	C26H50N14O6S	686.3759	NA	PeJP	NA	NA
+2903	neuropeptide from eyestalk of Macrobrachium rosenb	ANRSPSLRLRFG	686.37795	MH2+	Inhouse_peptide	NA	peptide
+PJ016696	SPPKKM 	C30H54N8O8S	686.3786	NA	PeJP	NA	NA
+PJ016697	VKFFF 	C38H50N6O6	686.3792	NA	PeJP	NA	NA
+PJ016698	VQERR 	C27H50N12O9	686.3824	NA	PeJP	NA	NA
+PJ016699	ALLLEE 	C31H54N6O11	686.3851	NA	PeJP	NA	NA
+PJ016700	PTKRW 	C32H50N10O7	686.3864	NA	PeJP	NA	NA
+2651	synthetic fr, of human beta-CN (168-173) ACE inhibitor	VLPYPV	686.387	NA	Inhouse_peptide	NA	peptide
+MJ090564	3,11,14-Trihydroxybufa-20,22-dienolide, 3-Adipoylarginine ester 	C36H54N4O9	686.389079	NA	MeJP	NA	NA
+PJ016701	GPVKMR 	C29H54N10O7S	686.3898	NA	PeJP	NA	NA
+MJ090565	1,16-Eicosanediol, 1-O-Sulfate, 16-O-[6-O-deoxy-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-glucopyranoside] 	C32H62O13S	686.391112	NA	MeJP	NA	NA
+PJ016702	AERRR 	C26H50N14O8	686.3936	NA	PeJP	NA	NA
+PJ016703	GGGGKRR 	C26H50N14O8	686.3937	NA	PeJP	NA	NA
+PJ016704	SPVKKE 	C30H54N8O10	686.3963	NA	PeJP	NA	NA
+PJ016705	GLRRW 	C31H50N12O6	686.3977	NA	PeJP	NA	NA
+PJ016706	PPVVLY 	C35H54N6O8	686.4003	NA	PeJP	NA	NA
+PJ016707	PKMRR 	C28H54N12O6S	686.401	NA	PeJP	NA	NA
+MJ090566	22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2,4-dimethylpentanoyl) 	C39H58O10	686.402998	NA	MeJP	NA	NA
+MJ090567	22,23-Dihydroxymilbemycin ?1; O5-Me, 23-O-(2-methylhexanoyl) 	C39H58O10	686.402998	NA	MeJP	NA	NA
+MJ090568	22,23-Dihydroxymilbemycin ?3; 23-O-(2,4-Dimethylpentanoyl) 	C39H58O10	686.402998	NA	MeJP	NA	NA
+MJ090569	22,23-Dihydroxymilbemycin ?3; 23-O-(2-Methylhexanoyl) 	C39H58O10	686.402998	NA	MeJP	NA	NA
+PJ016708	PTLLLM 	C32H58N6O8S	686.4037	NA	PeJP	NA	NA
+PJ016709	ASLLQR 	C29H54N10O9	686.4075	NA	PeJP	NA	NA
+PJ016710	AALKER 	C29H54N10O9	686.4076	NA	PeJP	NA	NA
+PJ016711	LLQKW 	C34H54N8O7	686.4116	NA	PeJP	NA	NA
+PJ016712	APLKKM 	C31H58N8O7S	686.415	NA	PeJP	NA	NA
+PJ016713	VKERR 	C28H54N12O8	686.4188	NA	PeJP	NA	NA
+PJ016714	SLLLLE 	C32H58N6O10	686.4215	NA	PeJP	NA	NA
+PJ016715	VVKRW 	C33H54N10O6	686.4228	NA	PeJP	NA	NA
+PJ016716	SLRRR 	C27H54N14O7	686.43	NA	PeJP	NA	NA
+PJ016717	GLLKKE 	C31H58N8O9	686.4327	NA	PeJP	NA	NA
+PJ016718	PVVLLF 	C36H58N6O7	686.4367	NA	PeJP	NA	NA
+MJ090570	Sinuflexlin 	C40H62O9	686.439383	NA	MeJP	NA	NA
+PJ016719	VVLLLM 	C33H62N6O7S	686.4401	NA	PeJP	NA	NA
+PJ016720	GTLLKR 	C30H58N10O8	686.4439	NA	PeJP	NA	NA
+PJ016721	LLKKW 	C35H58N8O6	686.448	NA	PeJP	NA	NA
+PJ016722	QKKKR 	C29H58N12O7	686.4552	NA	PeJP	NA	NA
+MJ090571	Bistheonellic acid B 	C37H66O11	686.460512	NA	MeJP	NA	NA
+MJ090572	Inostamycin B 	C37H66O11	686.460512	NA	MeJP	NA	NA
+PJ016723	SVLLKK 	C32H62N8O8	686.4691	NA	PeJP	NA	NA
+PJ016724	GVKKKK 	C31H62N10O7	686.4803	NA	PeJP	NA	NA
+HMDB07585	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H66O5	686.491028	NA	HMDB2010	NA	NA
+HMDB07781	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H66O5	686.491028	NA	HMDB2010	NA	NA
+PJ016725	KKKKR 	C30H62N12O6	686.4916	NA	PeJP	NA	NA
+MJ090573	Trisanhydrobacterioruberin 	C50H70O	686.542666	NA	MeJP	NA	NA
+MJ090574	Crasserides; 12-Methyltetradecanoylcrasseride 	C40H78O8	686.569669	NA	MeJP	NA	NA
+MJ090575	Crasserides; 13-Methyltetradecanoylcrasseride 	C40H78O8	686.569669	NA	MeJP	NA	NA
+MJ090576	Crasserides; 9-Methyltetradecanoylcrasseride 	C40H78O8	686.569669	NA	MeJP	NA	NA
+MJ090577	1,34-Tetratriacontanediol; O-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C44H78O5	686.584925	NA	MeJP	NA	NA
+MJ090578	12-Oleanen-3-ol, O-(9Z,12Z,15Z-Octadecatrienoyl) 	C48H78O2	686.600181	NA	MeJP	NA	NA
+MJ090579	12-Ursen-3-ol, 9,12,15-Octadecatrienoyl(Z,Z,Z-) 	C48H78O2	686.600181	NA	MeJP	NA	NA
+5526	hepcidin 20 (LEAP-1)	ICIFCCGCCHRSKCGMCCKT	686.8722	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04055	UDP-N-acetyl-D-galactosamine 4-sulfate []	C17H27N3O20P2S1	687.038384	NA	metacyc	NA	NA
+HMDB00934	Uridine diphosphate acetylgalactosamine 4-sulfate	C17H27N3O20P2S	687.03839	http://www.hmdb.ca/metabolites/HMDB00934	HMDB	NA	NA
+HMDB00934	Uridine diphosphate acetylgalactosamine 4-sulfate	C17H27N3O20P2S	687.03839	HMDB00934	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00934	Uridine diphosphate acetylgalactosamine 4-sulfate	C17H27N3O20P2S	687.038391	NA	HMDB2010	NA	NA
+C04426	UDP-N-acetyl-D-galactosamine 4-sulfate	C17H27N3O20P2S	687.0384	NA	KEGG	NA	NA
+PJ016726	GPCCCCC 	C22H37N7O8S5	687.1307	NA	PeJP	NA	NA
+PJ016727	CCCNDM 	C22H37N7O10S4	687.1485	NA	PeJP	NA	NA
+HMDB01373	Dephospho-CoA	C21H35N7O13P2S	687.14886	http://www.hmdb.ca/metabolites/HMDB01373	HMDB	NA	NA
+HMDB01373	Dephospho-CoA	C21H35N7O13P2S	687.14886	HMDB01373	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01373	Dephospho-CoA	C21H35N7O13P2S	687.148865	NA	HMDB2010	NA	NA
+MJ090580	Dephospho-CoA 	C21H35N7O13P2S	687.148878	NA	MeJP	NA	NA
+MetaCyc04056	dephospho-CoA [dephosphocoenzyme A;]	C21H35N7O13P2S1	687.148878	3633-59-8	metacyc	NA	NA
+C00882	Dephospho-CoA	C21H35N7O13P2S	687.1489	NA	KEGG	NA	NA
+PJ016728	ACCCCW 	C26H37N7O7S4	687.1638	NA	PeJP	NA	NA
+PJ016729	GSSCCCE 	C22H37N7O12S3	687.1663	NA	PeJP	NA	NA
+PJ016730	SSCCCW 	C26H37N7O9S3	687.1815	NA	PeJP	NA	NA
+PJ016731	SSSSCCD 	C22H37N7O14S2	687.184	NA	PeJP	NA	NA
+PJ016732	SCCNMM 	C23H41N7O9S4	687.1849	NA	PeJP	NA	NA
+PJ016733	TCCCCR 	C22H41N9O8S4	687.1961	NA	PeJP	NA	NA
+PJ016734	GCCNEY 	C26H37N7O11S2	687.1993	NA	PeJP	NA	NA
+PJ016735	GSSTCCM 	C23H41N7O11S3	687.2026	NA	PeJP	NA	NA
+PJ016736	PCCNDH 	C25H37N9O10S2	687.2105	NA	PeJP	NA	NA
+PJ016737	CCNYW 	C30H37N7O8S2	687.2145	NA	PeJP	NA	NA
+PJ016738	SSCNDY 	C26H37N7O13S	687.217	NA	PeJP	NA	NA
+PJ016739	GCCQMF 	C27H41N7O8S3	687.2179	NA	PeJP	NA	NA
+PJ016740	SSSSSCM 	C23H41N7O13S2	687.2204	NA	PeJP	NA	NA
+PJ016741	TCCCKM 	C24H45N7O8S4	687.2213	NA	PeJP	NA	NA
+PJ016742	DEMMY 	C28H41N5O11S2	687.2244	NA	PeJP	NA	NA
+PJ016743	GNDDMH 	C25H37N9O12S	687.2283	NA	PeJP	NA	NA
+PJ016744	GCCCFR 	C26H41N9O7S3	687.2291	NA	PeJP	NA	NA
+PJ016745	GSCQMY 	C27H41N7O10S2	687.2357	NA	PeJP	NA	NA
+PJ016746	DDEFY 	C31H37N5O13	687.2388	NA	PeJP	NA	NA
+PJ016747	SCNNNH 	C24H37N11O11S	687.2395	NA	PeJP	NA	NA
+PJ016748	EMMMF 	C29H45N5O8S3	687.243	NA	PeJP	NA	NA
+PJ016749	CNEHW 	C29H37N9O9S	687.2435	NA	PeJP	NA	NA
+PJ016750	SSNDEH 	C25H37N9O14	687.246	NA	PeJP	NA	NA
+PJ016751	GGGGGGPDD 	C25H37N9O14	687.2461	NA	PeJP	NA	NA
+PJ016752	GSCCRY 	C26H41N9O9S2	687.2469	NA	PeJP	NA	NA
+PJ016753	NNDYY 	C30H37N7O12	687.25	NA	PeJP	NA	NA
+PJ016754	GGGGDYY 	C30H37N7O12	687.2501	NA	PeJP	NA	NA
+MJ090581	Baumycin B1 	C34H41NO14	687.252705	NA	MeJP	NA	NA
+PJ016755	SSSNMY 	C27H41N7O12S	687.2534	NA	PeJP	NA	NA
+PJ016756	GCCKMF 	C28H45N7O7S3	687.2543	NA	PeJP	NA	NA
+PJ016757	PDMYY 	C32H41N5O10S	687.2574	NA	PeJP	NA	NA
+PJ016758	GCHWW 	C33H37N9O6S	687.2588	NA	PeJP	NA	NA
+MetaCyc04057	tetrahydropteroyltri-L-glutamate []	C29H37N9O11	687.261253	NA	metacyc	NA	NA
+PJ016759	GSSDHW 	C29H37N9O11	687.2613	NA	PeJP	NA	NA
+MJ090582	Cephabacin F; Cephabacin F4, 28-Deoxy 	C26H41N9O11S	687.264623	NA	MeJP	NA	NA
+PJ016760	GSQEMH 	C26H41N9O11S	687.2647	NA	PeJP	NA	NA
+PJ016761	GPPCEW 	C31H41N7O9S	687.2687	NA	PeJP	NA	NA
+PJ016762	GSSSSTY 	C27H41N7O14	687.2712	NA	PeJP	NA	NA
+PJ016763	GSCKMY 	C28H45N7O9S2	687.272	NA	PeJP	NA	NA
+PJ016764	GSPPPCM 	C28H45N7O9S2	687.2721	NA	PeJP	NA	NA
+PJ016765	EEHHH 	C28H37N11O10	687.2725	NA	PeJP	NA	NA
+PJ016766	VDEYY 	C32H41N5O12	687.2752	NA	PeJP	NA	NA
+PJ016767	GSCEHR 	C25H41N11O10S	687.2759	NA	PeJP	NA	NA
+PJ016768	PMMFY 	C33H45N5O7S2	687.2761	NA	PeJP	NA	NA
+PJ016769	LMMMY 	C30H49N5O7S3	687.2794	NA	PeJP	NA	NA
+PJ016770	SQMHW 	C30H41N9O8S	687.2799	NA	PeJP	NA	NA
+PJ016771	GPDDER 	C26H41N9O13	687.2824	NA	PeJP	NA	NA
+PJ016772	AAQMMH 	C27H45N9O8S2	687.2833	NA	PeJP	NA	NA
+PJ016773	GSNHHH 	C27H37N13O9	687.2838	NA	PeJP	NA	NA
+PJ016774	PPCWW 	C35H41N7O6S	687.2839	NA	PeJP	NA	NA
+PJ016775	PQEEW 	C31H41N7O11	687.2864	NA	PeJP	NA	NA
+PJ016776	SSTCKY 	C28H45N7O11S	687.2898	NA	PeJP	NA	NA
+PJ016777	PDFFY 	C36H41N5O9	687.2905	NA	PeJP	NA	NA
+PJ016778	SCHRW 	C29H41N11O7S	687.2911	NA	PeJP	NA	NA
+PJ016779	SSSDHR 	C25H41N11O12	687.2936	NA	PeJP	NA	NA
+PJ016780	GGGGGQQQ 	C25H41N11O12	687.2937	NA	PeJP	NA	NA
+PJ016781	VEMFY 	C33H45N5O9S	687.2938	NA	PeJP	NA	NA
+PJ016782	NMMHR 	C26H45N11O7S2	687.2945	NA	PeJP	NA	NA
+PJ016783	PDDRW 	C30H41N9O10	687.2977	NA	PeJP	NA	NA
+PJ016784	SPPCER 	C27H45N9O10S	687.301	NA	PeJP	NA	NA
+PJ016785	GGGAAPQM 	C27H45N9O10S	687.3011	NA	PeJP	NA	NA
+PJ016786	APEWW 	C35H41N7O8	687.3017	NA	PeJP	NA	NA
+MJ090583	Naphthomycin B; (4Z,6E)-Isomer, 30-dechloro, 30-hydroxy 	C39H45NO10	687.304346	NA	MeJP	NA	NA
+MJ090584	Naphthomycin B; 30-Dechloro, 30-hydroxy 	C39H45NO10	687.304346	NA	MeJP	NA	NA
+PJ016787	GNNNNR 	C24H41N13O11	687.3049	NA	PeJP	NA	NA
+PJ016788	CQKFY 	C32H45N7O8S	687.305	NA	PeJP	NA	NA
+PJ016789	GPPTMW 	C32H45N7O8S	687.3051	NA	PeJP	NA	NA
+PJ016790	GPKEEE 	C28H45N7O13	687.3076	NA	PeJP	NA	NA
+PJ016791	PPVNMM 	C29H49N7O8S2	687.3084	NA	PeJP	NA	NA
+PJ016792	NDHFR 	C29H41N11O9	687.3089	NA	PeJP	NA	NA
+PJ016793	PMFFF 	C37H45N5O6S	687.3091	NA	PeJP	NA	NA
+PJ016794	TLEYY 	C33H45N5O11	687.3116	NA	PeJP	NA	NA
+PJ016795	GSTMHR 	C26H45N11O9S	687.3123	NA	PeJP	NA	NA
+PJ016796	LMMFF 	C34H49N5O6S2	687.3125	NA	PeJP	NA	NA
+PJ016797	AQHFW 	C34H41N9O7	687.3129	NA	PeJP	NA	NA
+PJ016798	SKMHW 	C31H45N9O7S	687.3163	NA	PeJP	NA	NA
+PJ016799	GPTEER 	C27H45N9O12	687.3188	NA	PeJP	NA	NA
+PJ016800	GPPMMR 	C28H49N9O7S2	687.3197	NA	PeJP	NA	NA
+PJ016801	PKEEW 	C32H45N7O10	687.3228	NA	PeJP	NA	NA
+MJ090585	Aconitine; O3-Ac 	C36H49NO12	687.325476	NA	MeJP	NA	NA
+PJ016802	SPPKEM 	C29H49N7O10S	687.3262	NA	PeJP	NA	NA
+PJ016803	PVFYY 	C37H45N5O8	687.3268	NA	PeJP	NA	NA
+PJ016804	SSTTHR 	C26H45N11O11	687.33	NA	PeJP	NA	NA
+PJ016805	GGGGGVER 	C26H45N11O11	687.3301	NA	PeJP	NA	NA
+PJ016806	VLMYY 	C34H49N5O8S	687.3302	NA	PeJP	NA	NA
+PJ016807	PTERW 	C31H45N9O9	687.334	NA	PeJP	NA	NA
+PJ016808	GSPNKW 	C31H45N9O9	687.3341	NA	PeJP	NA	NA
+PJ016809	GPVEMR 	C28H49N9O9S	687.3374	NA	PeJP	NA	NA
+PJ016810	SPLWW 	C36H45N7O7	687.3381	NA	PeJP	NA	NA
+MJ090586	Naphthomycin A; 30-Dechloro, 11-alcohol 	C40H49NO9	687.340732	NA	MeJP	NA	NA
+PJ016811	NNERR 	C25H45N13O10	687.3413	NA	PeJP	NA	NA
+PJ016812	APVCLW 	C33H49N7O7S	687.3414	NA	PeJP	NA	NA
+PJ016813	AAPLMW 	C33H49N7O7S	687.3415	NA	PeJP	NA	NA
+PJ016814	SPVKEE 	C29H49N7O12	687.3439	NA	PeJP	NA	NA
+PJ016815	GLLQEE 	C29H49N7O12	687.344	NA	PeJP	NA	NA
+PJ016816	PPCLKM 	C30H53N7O7S2	687.3448	NA	PeJP	NA	NA
+PJ016817	AQQRW 	C30H45N11O8	687.3453	NA	PeJP	NA	NA
+PJ016818	PEMRR 	C27H49N11O8S	687.3487	NA	PeJP	NA	NA
+PJ016819	AKHFW 	C35H45N9O6	687.3493	NA	PeJP	NA	NA
+PJ016820	PVMRW 	C32H49N9O6S	687.3527	NA	PeJP	NA	NA
+PJ016821	AALEER 	C28H49N9O11	687.3552	NA	PeJP	NA	NA
+PJ016822	GNRRW 	C29H45N13O7	687.3565	NA	PeJP	NA	NA
+PJ016823	LLQEW 	C33H49N7O9	687.3592	NA	PeJP	NA	NA
+PJ016824	APLKEM 	C30H53N7O9S	687.3626	NA	PeJP	NA	NA
+PJ016825	VLFFY 	C38H49N5O7	687.3632	NA	PeJP	NA	NA
+PJ016826	VEERR 	C27H49N11O10	687.3664	NA	PeJP	NA	NA
+MJ090587	Cryptoechinulin B 	C43H49N3O5	687.367221	NA	MeJP	NA	NA
+PJ016827	VVERW 	C32H49N9O8	687.3704	NA	PeJP	NA	NA
+PJ016828	GAPPPLH 	C32H49N9O8	687.3705	NA	PeJP	NA	NA
+PJ016829	APTLMR 	C29H53N9O8S	687.3738	NA	PeJP	NA	NA
+PJ016830	ALLWW 	C37H49N7O6	687.3745	NA	PeJP	NA	NA
+PJ016831	NDKRR 	C26H49N13O9	687.3776	NA	PeJP	NA	NA
+PJ016832	GGDKRR 	C26H49N13O9	687.3777	NA	PeJP	NA	NA
+PJ016833	GLLKEE 	C30H53N7O11	687.3803	NA	PeJP	NA	NA
+PJ016834	AQKRW 	C31H49N11O7	687.3817	NA	PeJP	NA	NA
+PJ016835	GPCKKR 	C28H53N11O7S	687.3851	NA	PeJP	NA	NA
+PJ016836	SNRRR 	C25H49N15O8	687.3889	NA	PeJP	NA	NA
+PJ016837	GTLLER 	C29H53N9O10	687.3916	NA	PeJP	NA	NA
+MJ090588	Mahafacyclin A 	C34H53N7O8	687.395561	NA	MeJP	NA	NA
+PJ016838	LLKEW 	C34H53N7O8	687.3956	NA	PeJP	NA	NA
+MJ090589	Lycorine, O1-(6-O-Hexadecanoyl-?-D-glucopyranoside) 	C38H57NO10	687.398247	NA	MeJP	NA	NA
+PJ016839	SPLLKM 	C31H57N7O8S	687.399	NA	PeJP	NA	NA
+PJ016840	QKKER 	C28H53N11O9	687.4028	NA	PeJP	NA	NA
+PJ016841	TLLRW 	C33H53N9O7	687.4068	NA	PeJP	NA	NA
+PJ016842	GVLLMR 	C30H57N9O7S	687.4102	NA	PeJP	NA	NA
+PJ016843	TQKRR 	C27H53N13O8	687.414	NA	PeJP	NA	NA
+PJ016844	SVLLKE 	C31H57N7O10	687.4167	NA	PeJP	NA	NA
+PJ016845	AKKRW 	C32H53N11O6	687.4181	NA	PeJP	NA	NA
+MJ090590	Oleandomycin 	C35H61NO12	687.419376	NA	MeJP	NA	NA
+MetaCyc04058	oleandomycin [amimycin;landomycin;matromycin;romicil;]	C35H61N1O12	687.419376	3922-90-5	metacyc	NA	NA
+C01946	Oleandomycin	C35H61NO12	687.4194	NA	KEGG	NA	NA
+PJ016846	LLMRR 	C29H57N11O6S	687.4214	NA	PeJP	NA	NA
+PJ016847	SPTKKK 	C30H57N9O9	687.4279	NA	PeJP	NA	NA
+PJ016848	SSLLLR 	C30H57N9O9	687.428	NA	PeJP	NA	NA
+PJ016849	APLLKF 	C35H57N7O7	687.432	NA	PeJP	NA	NA
+PJ016850	ALLLKM 	C32H61N7O7S	687.4354	NA	PeJP	NA	NA
+PJ016851	KKKER 	C29H57N11O8	687.4392	NA	PeJP	NA	NA
+PJ016852	VKKKW 	C34H57N9O6	687.4432	NA	PeJP	NA	NA
+PJ016853	TKKRR 	C28H57N13O7	687.4504	NA	PeJP	NA	NA
+PJ016854	TTLLLK 	C32H61N7O9	687.4531	NA	PeJP	NA	NA
+MJ090591	15-Norerythromycin A; 6,12-Dideoxy 	C36H65NO11	687.455761	NA	MeJP	NA	NA
+MJ090592	Antibiotic SF 2748; Antibiotic SF 2748D 	C36H65NO11	687.455761	NA	MeJP	NA	NA
+MJ090593	Erythromycin D; 6-Deoxy 	C36H65NO11	687.455761	NA	MeJP	NA	NA
+PJ016855	ATLKKK 	C31H61N9O8	687.4643	NA	PeJP	NA	NA
+HMDB08829	PE(14:0/18:2(9Z,12Z))	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB08860	PE(14:1(9Z)/18:1(11Z))	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB08861	PE(14:1(9Z)/18:1(9Z))	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB08957	PE(16:1(9Z)/16:1(9Z))	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB09020	PE(18:1(11Z)/14:1(9Z))	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB09053	PE(18:1(9Z)/14:1(9Z))	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB09085	PE(18:2(9Z,12Z)/14:0)	C37H70NO8P	687.483887	NA	HMDB2010	NA	NA
+HMDB05342	GPEtn(16:1(9Z)/16:1(9Z))[U]	C37H70NO8P	687.48389	http://www.hmdb.ca/metabolites/HMDB05342	HMDB	NA	NA
+HMDB05342	GPEtn(16:1(9Z)/16:1(9Z))[U]	C37H70NO8P	687.48389	HMDB05342	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07928	PC(14:1(9Z)/P-16:0)	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+HMDB08918	PE(15:0/P-18:1(11Z))	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+HMDB08919	PE(15:0/P-18:1(9Z))	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+HMDB11204	PC(P-16:0/14:1(9Z))	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+HMDB11403	PE(P-18:1(11Z)/15:0)	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+HMDB11436	PE(P-18:1(9Z)/15:0)	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+HMDB13410	PC(o-16:1(9Z)/14:1(9Z))	C38H74NO7P	687.520264	NA	HMDB2010	NA	NA
+EUR1071	SM(d18:1/16:1) [M-H-CH3]-	C39H78N2O6P	687.544101	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1071	SM(d18:1/16:1) [M-H-CH3]-	C39H78N2O6P	687.544101	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1071	SM(d18:1/16:1) [M-H-CH3]-	C39H78N2O6P	687.544101	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1071	SM(d18:1/16:1) [M-H-CH3]-	C39H78N2O6P	687.544101	masses lipides attendues	Inhousejuil11	NA	NA
+MJ090594	Emethallicin D 	C34H28N2O8S3	688.100777	NA	MeJP	NA	NA
+PJ016856	CCCDDM 	C22H36N6O11S4	688.1325	NA	PeJP	NA	NA
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR252	Thiamine monophosphate F6	NA	688.132775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR252	Thiamine monophosphate F6	NA	688.132775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR252	Thiamine monophosphate F6	NA	688.132775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR252	Thiamine monophosphate F6	NA	688.132775	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR252	Thiamin monophosphate F6	F6	688.132775	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ016857	GSCCCCN 	C21H36N8O10S4	688.1438	NA	PeJP	NA	NA
+PJ016858	SCCDMM 	C23H40N6O10S4	688.1689	NA	PeJP	NA	NA
+PJ016859	GCCDEY 	C26H36N6O12S2	688.1833	NA	PeJP	NA	NA
+PJ016860	ACCMMM 	C24H44N6O7S5	688.1875	NA	PeJP	NA	NA
+PJ016861	SCCCHH 	C24H36N10O8S3	688.188	NA	PeJP	NA	NA
+PJ016862	PCCDDH 	C25H36N8O11S2	688.1945	NA	PeJP	NA	NA
+PJ016863	CCDYW 	C30H36N6O9S2	688.1985	NA	PeJP	NA	NA
+MJ090595	Henryoside; 6-Benzoyl 	C33H36O16	688.200335	NA	MeJP	NA	NA
+PJ016864	SSCDDY 	C26H36N6O14S	688.201	NA	PeJP	NA	NA
+PJ016865	PTCCCY 	C27H40N6O9S3	688.2019	NA	PeJP	NA	NA
+PJ016866	SSCMMM 	C24H44N6O9S4	688.2053	NA	PeJP	NA	NA
+PJ016867	GDDDMH 	C25H36N8O13S	688.2123	NA	PeJP	NA	NA
+PJ016868	CCMFW 	C31H40N6O6S3	688.2172	NA	PeJP	NA	NA
+PJ016869	GSCEMY 	C27H40N6O11S2	688.2197	NA	PeJP	NA	NA
+MJ090596	Depressine 	C30H40O18	688.221464	NA	MeJP	NA	NA
+PJ016870	SCNNDH 	C24H36N10O12S	688.2235	NA	PeJP	NA	NA
+PJ016871	CDEHW 	C29H36N8O10S	688.2275	NA	PeJP	NA	NA
+PJ016872	SSDDEH 	C25H36N8O15	688.23	NA	PeJP	NA	NA
+PJ016873	GGPNDDD 	C25H36N8O15	688.2301	NA	PeJP	NA	NA
+MJ090597	Hatomarubigin D 	C41H36O10	688.230847	NA	MeJP	NA	NA
+PJ016874	SPCDMH 	C26H40N8O10S2	688.2309	NA	PeJP	NA	NA
+MJ090598	Cryptophycin 4; 6',8'-Dichloro, 7R*,8R*-epoxide 	C35H42Cl2N2O8	688.231821	NA	MeJP	NA	NA
+PJ016875	NDDYY 	C30H36N6O13	688.2341	NA	PeJP	NA	NA
+PJ016876	SCMYW 	C31H40N6O8S2	688.2349	NA	PeJP	NA	NA
+MJ090599	Azadirachtin K 	C34H40O15	688.23672	NA	MeJP	NA	NA
+PJ016877	SSSDMY 	C27H40N6O13S	688.2374	NA	PeJP	NA	NA
+PJ016878	NMMMY 	C28H44N6O8S3	688.2383	NA	PeJP	NA	NA
+PJ016879	GCNQMH 	C25H40N10O9S2	688.2421	NA	PeJP	NA	NA
+PJ016880	GGGCQMH 	C25H40N10O9S2	688.2422	NA	PeJP	NA	NA
+PJ016881	GSEEMH 	C26H40N8O12S	688.2487	NA	PeJP	NA	NA
+PJ016882	APCMMH 	C27H44N8O7S3	688.2495	NA	PeJP	NA	NA
+PJ016883	GSPCYY 	C31H40N6O10S	688.2527	NA	PeJP	NA	NA
+PJ016884	GCCNHR 	C24H40N12O8S2	688.2534	NA	PeJP	NA	NA
+PJ016885	GPEEEE 	C27H40N6O15	688.2552	NA	PeJP	NA	NA
+PJ016886	GSTMMY 	C28H44N6O10S2	688.2561	NA	PeJP	NA	NA
+PJ016887	SSNNMH 	C25H40N10O11S	688.2599	NA	PeJP	NA	NA
+MJ090600	25-Methylergostane-2,3,6-triol, Tri-O-sulfate 	C29H52O12S3	688.262089	NA	MeJP	NA	NA
+C17159	Halistanol sulfate	C29H52O12S3	688.2621	NA	KEGG	NA	NA
+PJ016888	SEMHW 	C30H40N8O9S	688.2639	NA	PeJP	NA	NA
+MJ090601	Aeruginosin 98A 	C29H45ClN6O9S	688.265725	NA	MeJP	NA	NA
+PJ016889	SSTEEH 	C26H40N8O14	688.2664	NA	PeJP	NA	NA
+PJ016890	AAEMMH 	C27H44N8O9S2	688.2673	NA	PeJP	NA	NA
+PJ016891	GSDHHH 	C27H36N12O10	688.2678	NA	PeJP	NA	NA
+PJ016892	ACFYW 	C35H40N6O7S	688.2679	NA	PeJP	NA	NA
+PJ016893	SQEYY 	C31H40N6O12	688.2704	NA	PeJP	NA	NA
+PJ016894	PEEEW 	C31H40N6O12	688.2705	NA	PeJP	NA	NA
+PJ016895	NMMFF 	C32H44N6O7S2	688.2713	NA	PeJP	NA	NA
+MJ090602	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 1-angeloyl, 2,6,8,14-tetra-Ac 	C35H44O14	688.273106	NA	MeJP	NA	NA
+MJ090603	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8-angeloyl, 1,2,6,14-tetra-Ac 	C35H44O14	688.273106	NA	MeJP	NA	NA
+MJ090604	11,14-Epoxy-3,5,7,8,9,14,15-heptahydroxy-6(17)-jatrophen-12-one, 8-Benzoyl, 5,7,9,15-tetra-Ac 	C35H44O14	688.273106	NA	MeJP	NA	NA
+MJ090605	Trichilia substance Tr B 	C35H44O14	688.273106	NA	MeJP	NA	NA
+PJ016896	SSTTMY 	C28H44N6O12S	688.2738	NA	PeJP	NA	NA
+PJ016897	GSSSSQH 	C25H40N10O13	688.2777	NA	PeJP	NA	NA
+PJ016898	DMMHR 	C26H44N10O8S2	688.2785	NA	PeJP	NA	NA
+PJ016899	PCHFW 	C34H40N8O6S	688.2792	NA	PeJP	NA	NA
+MJ090606	Dacuronium(2+); Dibromide 	C33H58Br2N2O3	688.281419	NA	MeJP	NA	NA
+PJ016900	GSPNEW 	C30H40N8O11	688.2817	NA	PeJP	NA	NA
+PJ016901	CLMHW 	C31H44N8O6S2	688.2825	NA	PeJP	NA	NA
+PJ016902	ASSPPCQ 	C27H44N8O11S	688.285	NA	PeJP	NA	NA
+PJ016903	ATTEMH 	C27H44N8O11S	688.2851	NA	PeJP	NA	NA
+PJ016904	GTYYW 	C35H40N6O9	688.2857	NA	PeJP	NA	NA
+PJ016905	QMHHH 	C28H40N12O7S	688.2864	NA	PeJP	NA	NA
+PJ016906	GNNNDR 	C24H40N12O12	688.2889	NA	PeJP	NA	NA
+PJ016907	VNMYY 	C32H44N6O9S	688.2891	NA	PeJP	NA	NA
+PJ016908	SPVEEE 	C28H44N6O14	688.2916	NA	PeJP	NA	NA
+PJ016909	PPVDMM 	C29H48N6O9S2	688.2925	NA	PeJP	NA	NA
+PJ016910	NNQQW 	C29H40N10O10	688.2929	NA	PeJP	NA	NA
+PJ016911	GPNDMR 	C26H44N10O10S	688.2963	NA	PeJP	NA	NA
+PJ016912	SPNWW 	C34H40N8O8	688.2969	NA	PeJP	NA	NA
+PJ016913	CHHHR 	C27H40N14O6S	688.2976	NA	PeJP	NA	NA
+MJ090607	Aglaxiflorin C 	C38H44N2O10	688.299595	NA	MeJP	NA	NA
+MJ090608	Aglaxiflorin D; 10,12-Diepimer, 12-Ac 	C38H44N2O10	688.299595	NA	MeJP	NA	NA
+MJ090609	Aglaxiflorin D; 12-Epimer, 12-Ac 	C38H44N2O10	688.299595	NA	MeJP	NA	NA
+PJ016914	PQQMW 	C31H44N8O8S	688.3003	NA	PeJP	NA	NA
+PJ016915	TTTTEH 	C27H44N8O13	688.3028	NA	PeJP	NA	NA
+PJ016916	GTLMMH 	C28H48N8O8S2	688.3037	NA	PeJP	NA	NA
+PJ016917	ASTHHH 	C28H40N12O9	688.3041	NA	PeJP	NA	NA
+PJ016918	GTTHHH 	C28H40N12O9	688.3042	NA	PeJP	NA	NA
+PJ016919	SKEYY 	C32H44N6O11	688.3068	NA	PeJP	NA	NA
+MJ090610	Rohituka 6 	C36H48O13	688.309491	NA	MeJP	NA	NA
+PJ016920	APLEEM 	C29H48N6O11S	688.3102	NA	PeJP	NA	NA
+PJ016921	PCQRW 	C30H44N10O7S	688.3115	NA	PeJP	NA	NA
+PJ016922	GAPCRW 	C30H44N10O7S	688.3116	NA	PeJP	NA	NA
+MJ090611	3,6,20-Trihydroxycholest-9(11)-en-23-one, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C33H52O13S	688.312862	NA	MeJP	NA	NA
+PJ016923	QQEER 	C26H44N10O12	688.314	NA	PeJP	NA	NA
+PJ016924	GAQEER 	C26H44N10O12	688.3141	NA	PeJP	NA	NA
+PJ016925	ACCKKH 	C27H48N10O7S2	688.3149	NA	PeJP	NA	NA
+PJ016926	VQQEW 	C31H44N8O10	688.3181	NA	PeJP	NA	NA
+PJ016927	STTLMH 	C28H48N8O10S	688.3214	NA	PeJP	NA	NA
+PJ016928	GGGGPTLM 	C28H48N8O10S	688.3215	NA	PeJP	NA	NA
+PJ016929	VNFFY 	C36H44N6O8	688.3221	NA	PeJP	NA	NA
+PJ016930	KMHHH 	C29H44N12O6S	688.3228	NA	PeJP	NA	NA
+PJ016931	NDERR 	C25H44N12O11	688.3253	NA	PeJP	NA	NA
+PJ016932	CLKYY 	C33H48N6O8S	688.3254	NA	PeJP	NA	NA
+PJ016933	PPPCLY 	C33H48N6O8S	688.3255	NA	PeJP	NA	NA
+PJ016934	GLLEEE 	C29H48N6O13	688.328	NA	PeJP	NA	NA
+PJ016935	PPTLMM 	C30H52N6O8S2	688.3288	NA	PeJP	NA	NA
+PJ016936	AQERW 	C30H44N10O9	688.3293	NA	PeJP	NA	NA
+3470	analogue of human b-CN (54-59)	AEPIPY	688.33	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ016937	GPTQMR 	C27H48N10O9S	688.3327	NA	PeJP	NA	NA
+PJ016938	GLQWW 	C35H44N8O7	688.3333	NA	PeJP	NA	NA
+MJ090612	Kidamycin 	C39H48N2O9	688.335981	NA	MeJP	NA	NA
+MJ090613	Rubiflavin F 	C39H48N2O9	688.335981	NA	MeJP	NA	NA
+PJ016939	PQKMW 	C32H48N8O7S	688.3367	NA	PeJP	NA	NA
+PJ016940	GVQKEE 	C28H48N8O12	688.3392	NA	PeJP	NA	NA
+PJ016941	GDRRW 	C29H44N12O8	688.3405	NA	PeJP	NA	NA
+PJ016942	LLEEW 	C33H48N6O10	688.3432	NA	PeJP	NA	NA
+PJ016943	GPTCRR 	C26H48N12O8S	688.3439	NA	PeJP	NA	NA
+PJ016944	AARWW 	C34H44N10O6	688.3446	NA	PeJP	NA	NA
+MJ090614	Xyloccensin A; 2-Hydroxy, 14-15-dihydro 	C37H52O12	688.345877	NA	MeJP	NA	NA
+PJ016945	SPLLEM 	C30H52N6O10S	688.3466	NA	PeJP	NA	NA
+PJ016946	PCKRW 	C31H48N10O6S	688.3479	NA	PeJP	NA	NA
+PJ016947	QKEER 	C27H48N10O11	688.3504	NA	PeJP	NA	NA
+PJ016948	GGGGADKK 	C27H48N10O11	688.3505	NA	PeJP	NA	NA
+PJ016949	LNKEW 	C32H48N8O9	688.3544	NA	PeJP	NA	NA
+PJ016950	VQKEW 	C32H48N8O9	688.3545	NA	PeJP	NA	NA
+PJ016951	GPKKEM 	C29H52N8O9S	688.3578	NA	PeJP	NA	NA
+PJ016952	TKFFF 	C37H48N6O7	688.3585	NA	PeJP	NA	NA
+PJ016953	TQERR 	C26H48N12O10	688.3617	NA	PeJP	NA	NA
+PJ016954	PPVVMF 	C34H52N6O7S	688.3619	NA	PeJP	NA	NA
+MJ090615	Callichiline 	C42H48N4O5	688.36247	NA	MeJP	NA	NA
+MJ090616	Conoduramine; Demethoxy, 3-oxo 	C42H48N4O5	688.36247	NA	MeJP	NA	NA
+MJ090617	Ervahaimine A 	C42H48N4O5	688.36247	NA	MeJP	NA	NA
+MJ090618	Foliacraline 	C42H48N4O5	688.36247	NA	MeJP	NA	NA
+MJ090619	Macrocarpamine; 10-Methoxy, 4'-N-oxide 	C42H48N4O5	688.36247	NA	MeJP	NA	NA
+MJ090620	Voafolidine 	C42H48N4O5	688.36247	NA	MeJP	NA	NA
+C09088	Callichiline	C42H48N4O5	688.3625	NA	KEGG	NA	NA
+PJ016955	SVLLEE 	C30H52N6O12	688.3643	NA	PeJP	NA	NA
+PJ016956	VVTLEE 	C30H52N6O12	688.3644	NA	PeJP	NA	NA
+PJ016957	PVVLMM 	C31H56N6O7S2	688.3652	NA	PeJP	NA	NA
+PJ016958	AKERW 	C31H48N10O8	688.3657	NA	PeJP	NA	NA
+PJ016959	GPTKMR 	C28H52N10O8S	688.3691	NA	PeJP	NA	NA
+PJ016960	GLKWW 	C36H48N8O6	688.3697	NA	PeJP	NA	NA
+PJ016961	SDRRR 	C25H48N14O9	688.3729	NA	PeJP	NA	NA
+7568	ACE inhibitor	KVREGT	688.373	antioxidative	Inhouse_peptide	NA	peptide
+PJ016962	PKKMW 	C33H52N8O6S	688.3731	NA	PeJP	NA	NA
+PJ016963	GVKKEE 	C29H52N8O11	688.3756	NA	PeJP	NA	NA
+PJ016964	ATRRW 	C30H48N12O7	688.3769	NA	PeJP	NA	NA
+PJ016965	SPPLLY 	C34H52N6O9	688.3796	NA	PeJP	NA	NA
+PJ016966	VQMRR 	C27H52N12O7S	688.3803	NA	PeJP	NA	NA
+MJ090621	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 16-O-(2-O-Acetyl-3,6-dideoxy-?-L-erythro-hexopyranos-4-uloside) 	C38H56O11	688.382262	NA	MeJP	NA	NA
+PJ016967	ALLLEM 	C31H56N6O9S	688.383	NA	PeJP	NA	NA
+PJ016968	KKEER 	C28H52N10O10	688.3868	NA	PeJP	NA	NA
+PJ016969	VKKEW 	C33H52N8O8	688.3908	NA	PeJP	NA	NA
+PJ016970	GGAPLKF 	C33H52N8O8	688.3909	NA	PeJP	NA	NA
+PJ016971	AMRRR 	C26H52N14O6S	688.3915	NA	PeJP	NA	NA
+PJ016972	SPVKKM 	C30H56N8O8S	688.3942	NA	PeJP	NA	NA
+PJ016973	TKERR 	C27H52N12O9	688.398	NA	PeJP	NA	NA
+PJ016974	GSTLRR 	C27H52N12O9	688.3981	NA	PeJP	NA	NA
+PJ016975	TTLLLE 	C31H56N6O11	688.4007	NA	PeJP	NA	NA
+PJ016976	SLKRW 	C32H52N10O7	688.4021	NA	PeJP	NA	NA
+MJ090622	Kabicidin 	C35H60O13	688.403392	NA	MeJP	NA	NA
+MJ090623	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(Argininylpimeloyl) 	C36H56N4O9	688.404729	NA	MeJP	NA	NA
+PJ016977	AALKMR 	C29H56N10O7S	688.4055	NA	PeJP	NA	NA
+MJ090624	Incarvillateine; Monodemethoxy 	C41H56N2O7	688.408752	NA	MeJP	NA	NA
+PJ016978	TTRRR 	C26H52N14O8	688.4093	NA	PeJP	NA	NA
+PJ016979	ATLKKE 	C30H56N8O10	688.412	NA	PeJP	NA	NA
+2606	synthetic peptide inhibitors of (PEP)	HLPLPL	688.414	NA	Inhouse_peptide	NA	peptide
+2667	synthetic fr, of human beta-CN (124-129) ACE inhibitor	LHLPLP	688.414	NA	Inhouse_peptide	NA	peptide
+PJ016980	APLLLY 	C35H56N6O8	688.416	NA	PeJP	NA	NA
+PJ016981	VKMRR 	C28H56N12O6S	688.4167	NA	PeJP	NA	NA
+PJ016982	SLLLLM 	C32H60N6O8S	688.4194	NA	PeJP	NA	NA
+PJ016983	ATTLKR 	C29H56N10O9	688.4232	NA	PeJP	NA	NA
+PJ016984	GPLKKF 	C34H56N8O7	688.4272	NA	PeJP	NA	NA
+PJ016985	GLLKKM 	C31H60N8O7S	688.4306	NA	PeJP	NA	NA
+3886	temporin D	LLPIVGNLLNSLL~	688.4314	MH2+	Inhouse_peptide	NA	peptide
+3888	temporin E	VLPIIGNLLNSLL~	688.4314	MH2+	Inhouse_peptide	NA	peptide
+MJ090625	Bacchalejin 2 	C43H60O7	688.433904	NA	MeJP	NA	NA
+PJ016986	VTTLKK 	C31H60N8O9	688.4483	NA	PeJP	NA	NA
+PJ016987	STLLKK 	C31H60N8O9	688.4484	NA	PeJP	NA	NA
+PJ016988	ALLLLF 	C36H60N6O7	688.4524	NA	PeJP	NA	NA
+MJ090626	12-Oleanene-3,16,21,22,28-pentol, 21-O-(2,3-Dihydroxy-2-methylbutanoyl), 22-angeloyl 	C40H64O9	688.455033	NA	MeJP	NA	NA
+MJ090627	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-?-D-Glucuronopyranoside, 6'-butyl ester 	C40H64O9	688.455033	NA	MeJP	NA	NA
+PJ016989	GTKKKK 	C30H60N10O8	688.4596	NA	PeJP	NA	NA
+HMDB07527	DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07556	DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07583	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07584	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07723	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07752	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07779	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB07780	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H68O5	688.506653	NA	HMDB2010	NA	NA
+HMDB13462	SM(d18:0/14:1(9Z)(OH))	C37H73N2O7P	688.515564	NA	HMDB2010	NA	NA
+MJ090628	Decaprenoxanthin; Deoxy 	C50H72O	688.558316	NA	MeJP	NA	NA
+MJ090629	12-Oleanen-3-ol, O-(9Z,12Z-Octadecadienoyl) 	C48H80O2	688.615831	NA	MeJP	NA	NA
+MJ090630	12-Ursen-3-ol, 9,12-Octadecadienoyl(Z,Z-) 	C48H80O2	688.615831	NA	MeJP	NA	NA
+7002	synthetic peptide from alpha-gliadin	PSQQQPQEQVPL	688.836	MH2+	Inhouse_peptide	NA	peptide
+7004	synthetic peptide from alpha-gliadin	VQQQQPLGQQQP	688.8415	MH2+	Inhouse_peptide	NA	peptide
+7005	synthetic peptide from alpha-gliadin	VQQQQPLGQQQP	688.8415	MH2+	Inhouse_peptide	NA	peptide
+2822	PEP inhibitor	PPPPGGPQPRPPQG	688.848	MH2+	Inhouse_peptide	NA	peptide
+PJ016990	GSCCCCD 	C21H35N7O11S4	689.1278	NA	PeJP	NA	NA
+PJ016991	CCCCQM 	C22H39N7O8S5	689.1464	NA	PeJP	NA	NA
+PJ016992	CCCCCR 	C21H39N9O7S5	689.1576	NA	PeJP	NA	NA
+PJ016993	GTTCCCC 	C22H39N7O10S4	689.1641	NA	PeJP	NA	NA
+PJ016994	GSSCCCM 	C22H39N7O10S4	689.1642	NA	PeJP	NA	NA
+PJ016995	SSSTCCC 	C22H39N7O12S3	689.1819	NA	PeJP	NA	NA
+PJ016996	CCCCKM 	C23H43N7O7S5	689.1828	NA	PeJP	NA	NA
+PJ016997	GCCNMY 	C26H39N7O9S3	689.1972	NA	PeJP	NA	NA
+PJ016998	SCNDDH 	C24H35N9O13S	689.2075	NA	PeJP	NA	NA
+PJ016999	PCCCQH 	C25H39N9O8S3	689.2084	NA	PeJP	NA	NA
+PJ017000	PNDDDD 	C25H35N7O16	689.2141	NA	PeJP	NA	NA
+PJ017001	SSCCQY 	C26H39N7O11S2	689.2149	NA	PeJP	NA	NA
+PJ017002	DDDYY 	C30H35N5O14	689.2181	NA	PeJP	NA	NA
+PJ017003	DMMMY 	C28H43N5O9S3	689.2223	NA	PeJP	NA	NA
+PJ017004	GCNEMH 	C25H39N9O10S2	689.2262	NA	PeJP	NA	NA
+PJ017005	GCCNFF 	C30H39N7O8S2	689.2302	NA	PeJP	NA	NA
+PJ017006	GSSSSCY 	C26H39N7O13S	689.2327	NA	PeJP	NA	NA
+PJ017007	ACCCKY 	C27H43N7O8S3	689.2335	NA	PeJP	NA	NA
+PJ017008	SCCCKF 	C27H43N7O8S3	689.2336	NA	PeJP	NA	NA
+PJ017009	DDMFY 	C31H39N5O11S	689.2367	NA	PeJP	NA	NA
+PJ017010	GCCDHR 	C24H39N11O9S2	689.2374	NA	PeJP	NA	NA
+PJ017011	MMMMF 	C29H47N5O6S4	689.2409	NA	PeJP	NA	NA
+PJ017012	CNMHW 	C29H39N9O7S2	689.2414	NA	PeJP	NA	NA
+PJ017013	SSNDMH 	C25H39N9O12S	689.2439	NA	PeJP	NA	NA
+PJ017014	PCCCKH 	C26H43N9O7S3	689.2448	NA	PeJP	NA	NA
+PJ017015	CNQYY 	C30H39N7O10S	689.2479	NA	PeJP	NA	NA
+PJ017016	SPNDEE 	C26H39N7O15	689.2504	NA	PeJP	NA	NA
+PJ017017	GGSPDEE 	C26H39N7O15	689.2505	NA	PeJP	NA	NA
+PJ017018	SSCCKY 	C27H43N7O10S2	689.2513	NA	PeJP	NA	NA
+PJ017019	SEEYY 	C31H39N5O13	689.2544	NA	PeJP	NA	NA
+PJ017020	TDEYY 	C31H39N5O13	689.2545	NA	PeJP	NA	NA
+PJ017021	DMMFF 	C32H43N5O8S2	689.2553	NA	PeJP	NA	NA
+PJ017022	GSTCHW 	C29H39N9O9S	689.2592	NA	PeJP	NA	NA
+PJ017023	GSSSSEH 	C25H39N9O14	689.2617	NA	PeJP	NA	NA
+PJ017024	GSQMMH 	C26H43N9O9S2	689.2625	NA	PeJP	NA	NA
+PJ017025	PPCCDR 	C26H43N9O9S2	689.2626	NA	PeJP	NA	NA
+PJ017026	GSPDEW 	C30H39N7O12	689.2657	NA	PeJP	NA	NA
+PJ017027	GPPCMW 	C31H43N7O7S2	689.2666	NA	PeJP	NA	NA
+PJ017028	GPQEEM 	C27H43N7O12S	689.2691	NA	PeJP	NA	NA
+PJ017029	DDFFF 	C35H39N5O10	689.2697	NA	PeJP	NA	NA
+PJ017030	EMHHH 	C28H39N11O8S	689.2704	NA	PeJP	NA	NA
+PJ017031	GNNDDR 	C24H39N11O13	689.2729	NA	PeJP	NA	NA
+PJ017032	VDMYY 	C32H43N5O10S	689.2731	NA	PeJP	NA	NA
+PJ017033	GSCMHR 	C25H43N11O8S2	689.2738	NA	PeJP	NA	NA
+PJ017034	CHHFF 	C33H39N9O6S	689.2744	NA	PeJP	NA	NA
+PJ017035	SSSSHW 	C29H39N9O11	689.2769	NA	PeJP	NA	NA
+PJ017036	GGGGGAEW 	C29H39N9O11	689.277	NA	PeJP	NA	NA
+PJ017037	GPDDMR 	C26H43N9O11S	689.2803	NA	PeJP	NA	NA
+PJ017038	SPDWW 	C34H39N7O9	689.281	NA	PeJP	NA	NA
+PJ017039	PQEMW 	C31H43N7O9S	689.2843	NA	PeJP	NA	NA
+PJ017040	GVQEEE 	C27H43N7O14	689.2868	NA	PeJP	NA	NA
+PJ017041	SPPQMM 	C28H47N7O9S2	689.2877	NA	PeJP	NA	NA
+PJ017042	GPNEHH 	C28H39N11O10	689.2882	NA	PeJP	NA	NA
+PJ017043	SSTCHR 	C25H43N11O10S	689.2915	NA	PeJP	NA	NA
+PJ017044	GGGGSPCR 	C25H43N11O10S	689.2916	NA	PeJP	NA	NA
+PJ017045	VMMFY 	C33H47N5O7S2	689.2917	NA	PeJP	NA	NA
+PJ017046	GNQWW 	C33H39N9O8	689.2922	NA	PeJP	NA	NA
+PJ017047	QQMHF 	C30H43N9O8S	689.2955	NA	PeJP	NA	NA
+PJ017048	PCERW 	C30H43N9O8S	689.2956	NA	PeJP	NA	NA
+PJ017049	ASSSTTH 	C26H43N9O13	689.298	NA	PeJP	NA	NA
+PJ017050	QEEER 	C26H43N9O13	689.2981	NA	PeJP	NA	NA
+PJ017051	SPPCMR 	C27H47N9O8S2	689.2989	NA	PeJP	NA	NA
+PJ017052	APMWW 	C35H43N7O6S	689.2996	NA	PeJP	NA	NA
+PJ017053	VQEEW 	C31H43N7O11	689.3021	NA	PeJP	NA	NA
+PJ017054	PNHHW 	C32H39N11O7	689.3034	NA	PeJP	NA	NA
+MJ090631	4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, 14-O-(3,4-dimethoxybenzoyl), 8-Ac, N-formyl 	C35H47NO13	689.30474	NA	MeJP	NA	NA
+MJ090632	Aconifine; N-De-Et, N-Me, O3-Ac 	C35H47NO13	689.30474	NA	MeJP	NA	NA
+PJ017055	SPVQEM 	C28H47N7O11S	689.3054	NA	PeJP	NA	NA
+PJ017056	GPKEEM 	C28H47N7O11S	689.3055	NA	PeJP	NA	NA
+PJ017057	PTFYY 	C36H43N5O9	689.3061	NA	PeJP	NA	NA
+PJ017058	CQHFR 	C29H43N11O7S	689.3068	NA	PeJP	NA	NA
+PJ017059	DDERR 	C25H43N11O12	689.3093	NA	PeJP	NA	NA
+PJ017060	TLMYY 	C33H47N5O9S	689.3095	NA	PeJP	NA	NA
+PJ017061	AEERW 	C30H43N9O10	689.3133	NA	PeJP	NA	NA
+PJ017062	GPTEMR 	C27H47N9O10S	689.3167	NA	PeJP	NA	NA
+PJ017063	GLEWW 	C35H43N7O8	689.3173	NA	PeJP	NA	NA
+PJ017064	PKEMW 	C32H47N7O8S	689.3207	NA	PeJP	NA	NA
+PJ017065	GVKEEE 	C28H47N7O13	689.3232	NA	PeJP	NA	NA
+PJ017066	SPPKMM 	C29H51N7O8S2	689.3241	NA	PeJP	NA	NA
+PJ017067	SNQRW 	C29H43N11O9	689.3245	NA	PeJP	NA	NA
+PJ017068	GGSQRW 	C29H43N11O9	689.3246	NA	PeJP	NA	NA
+PJ017069	VMFFF 	C37H47N5O6S	689.3247	NA	PeJP	NA	NA
+PJ017070	QQQMR 	C26H47N11O9S	689.3279	NA	PeJP	NA	NA
+PJ017071	GNKWW 	C34H43N9O7	689.3286	NA	PeJP	NA	NA
+PJ017072	PTMRW 	C31H47N9O7S	689.3319	NA	PeJP	NA	NA
+PJ017073	APPCFR 	C31H47N9O7S	689.332	NA	PeJP	NA	NA
+PJ017074	LWWW 	C39H43N7O5	689.3326	NA	PeJP	NA	NA
+PJ017075	KEEER 	C27H47N9O12	689.3344	NA	PeJP	NA	NA
+PJ017076	GGGDKKE 	C27H47N9O12	689.3345	NA	PeJP	NA	NA
+PJ017077	GPVMMR 	C28H51N9O7S2	689.3353	NA	PeJP	NA	NA
+PJ017078	GSPHHR 	C28H43N13O8	689.3358	NA	PeJP	NA	NA
+PJ017079	VKEEW 	C32H47N7O10	689.3385	NA	PeJP	NA	NA
+PJ017080	NNMRR 	C25H47N13O8S	689.3392	NA	PeJP	NA	NA
+PJ017081	LHHHF 	C33H43N11O6	689.3398	NA	PeJP	NA	NA
+C08704	Pseudoaconitine	C36H51NO12	689.3411	NA	KEGG	NA	NA
+MJ090633	4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl), 8-Ac 	C36H51NO12	689.341126	NA	MeJP	NA	NA
+PJ017082	SPVKEM 	C29H51N7O10S	689.3418	NA	PeJP	NA	NA
+PJ017083	GGALLEM 	C29H51N7O10S	689.3419	NA	PeJP	NA	NA
+PJ017084	VVFYY 	C37H47N5O8	689.3425	NA	PeJP	NA	NA
+PJ017085	CKHFR 	C30H47N11O6S	689.3432	NA	PeJP	NA	NA
+PJ017086	TEERR 	C26H47N11O11	689.3457	NA	PeJP	NA	NA
+PJ017087	PMMRR 	C27H51N11O6S2	689.3466	NA	PeJP	NA	NA
+PJ017088	SLERW 	C31H47N9O9	689.3497	NA	PeJP	NA	NA
+PJ017089	AALEMR 	C28H51N9O9S	689.3531	NA	PeJP	NA	NA
+PJ017090	SVLWW 	C36H47N7O7	689.3537	NA	PeJP	NA	NA
+PJ017091	GSSQRR 	C25H47N13O10	689.3569	NA	PeJP	NA	NA
+PJ017092	LLQMW 	C33H51N7O7S	689.3571	NA	PeJP	NA	NA
+PJ017093	ATLKEE 	C29H51N7O12	689.3596	NA	PeJP	NA	NA
+PJ017094	APLKMM 	C30H55N7O7S2	689.3605	NA	PeJP	NA	NA
+PJ017095	SNKRW 	C30H47N11O8	689.3609	NA	PeJP	NA	NA
+PJ017096	GGGLLHH 	C30H47N11O8	689.361	NA	PeJP	NA	NA
+PJ017097	VEMRR 	C27H51N11O8S	689.3643	NA	PeJP	NA	NA
+PJ017098	VVMRW 	C32H51N9O6S	689.3683	NA	PeJP	NA	NA
+PJ017099	ATTLER 	C28H51N9O11	689.3708	NA	PeJP	NA	NA
+7889	peptide from skin gelatin of hoki (Johnius belengerii)	HGPLGPL	689.372	antibacterial	Inhouse_peptide	NA	peptide
+PJ017100	LQHHR 	C29H47N13O7	689.3722	NA	PeJP	NA	NA
+PJ017101	ASTLLW 	C33H51N7O9	689.3748	NA	PeJP	NA	NA
+PJ017102	GTTLLW 	C33H51N7O9	689.3749	NA	PeJP	NA	NA
+PJ017103	CQKRR 	C26H51N13O7S	689.3755	NA	PeJP	NA	NA
+PJ017104	GACKRR 	C26H51N13O7S	689.3756	NA	PeJP	NA	NA
+PJ017105	GLLKEM 	C30H55N7O9S	689.3782	NA	PeJP	NA	NA
+PJ017106	GSDKKR 	C27H51N11O10	689.3821	NA	PeJP	NA	NA
+PJ017107	TQKKW 	C32H51N9O8	689.3861	NA	PeJP	NA	NA
+PJ017108	GTLLMR 	C29H55N9O8S	689.3895	NA	PeJP	NA	NA
+PJ017109	PLKFW 	C37H51N7O6	689.3901	NA	PeJP	NA	NA
+PJ017110	GSSKRR 	C26H51N13O9	689.3933	NA	PeJP	NA	NA
+PJ017111	LLKMW 	C34H55N7O6S	689.3935	NA	PeJP	NA	NA
+PJ017112	STLLKE 	C30H55N7O11	689.396	NA	PeJP	NA	NA
+PJ017113	PVRRY 	C31H51N11O7	689.3973	NA	PeJP	NA	NA
+MJ090634	Fumonisin A1; 5,10-Dideoxy, N2-de-Ac 	C34H59NO13	689.39864	NA	MeJP	NA	NA
+PJ017114	QKKMR 	C28H55N11O7S	689.4007	NA	PeJP	NA	NA
+PJ017115	STTLLR 	C29H55N9O10	689.4072	NA	PeJP	NA	NA
+PJ017116	LKHHR 	C30H51N13O6	689.4086	NA	PeJP	NA	NA
+PJ017117	GPLLKY 	C34H55N7O8	689.4112	NA	PeJP	NA	NA
+PJ017118	GGALLLF 	C34H55N7O8	689.4113	NA	PeJP	NA	NA
+PJ017119	CKKRR 	C27H55N13O6S	689.4119	NA	PeJP	NA	NA
+MJ090635	Antascomicin; Antascomicin C 	C38H59NO10	689.413897	NA	MeJP	NA	NA
+MJ090636	Hygrolidin; Amide 	C38H59NO10	689.413897	NA	MeJP	NA	NA
+PJ017120	SVLLKM 	C31H59N7O8S	689.4146	NA	PeJP	NA	NA
+PJ017121	ASTKKR 	C28H55N11O9	689.4184	NA	PeJP	NA	NA
+PJ017122	GTTKKR 	C28H55N11O9	689.4185	NA	PeJP	NA	NA
+PJ017123	TKKKW 	C33H55N9O7	689.4225	NA	PeJP	NA	NA
+PJ017124	ACLKKK 	C30H59N9O7S	689.4258	NA	PeJP	NA	NA
+PJ017125	GVKKKM 	C30H59N9O7S	689.4259	NA	PeJP	NA	NA
+PJ017126	VLFRR 	C32H55N11O6	689.4337	NA	PeJP	NA	NA
+MJ090637	15-Norerythromycin A; 6-Deoxy, 3''-O-de-Me 	C35H63NO12	689.435026	NA	MeJP	NA	NA
+MJ090638	2-Norerythromycin; 12-Deoxy, O3''-de-Me 	C35H63NO12	689.435026	NA	MeJP	NA	NA
+PJ017127	KKKMR 	C29H59N11O6S	689.4371	NA	PeJP	NA	NA
+PJ017128	SSLKKK 	C30H59N9O9	689.4436	NA	PeJP	NA	NA
+PJ017129	GLLLKF 	C35H59N7O7	689.4476	NA	PeJP	NA	NA
+3824	NA	KLKLLLLLKLKG	689.4925	MH2+	Inhouse_peptide	NA	peptide
+HMDB07901	PC(14:1(9Z)/15:0)	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB07933	PC(15:0/14:1(9Z))	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB08827	PE(14:0/18:1(11Z))	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB08828	PE(14:0/18:1(9Z))	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB08859	PE(14:1(9Z)/18:0)	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB08924	PE(16:0/16:1(9Z))	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB08956	PE(16:1(9Z)/16:0)	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB08987	PE(18:0/14:1(9Z))	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB09019	PE(18:1(11Z)/14:0)	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB09052	PE(18:1(9Z)/14:0)	C37H72NO8P	689.499573	NA	HMDB2010	NA	NA
+HMDB07895	PC(14:0/P-16:0)	C38H76NO7P	689.53595	NA	HMDB2010	NA	NA
+HMDB08917	PE(15:0/P-18:0)	C38H76NO7P	689.53595	NA	HMDB2010	NA	NA
+HMDB11203	PC(P-16:0/14:0)	C38H76NO7P	689.53595	NA	HMDB2010	NA	NA
+HMDB11370	PE(P-18:0/15:0)	C38H76NO7P	689.53595	NA	HMDB2010	NA	NA
+HMDB13402	PC(o-14:0/16:1(9Z))	C38H76NO7P	689.53595	NA	HMDB2010	NA	NA
+HMDB13403	PC(o-16:0/14:1(9Z))	C38H76NO7P	689.53595	NA	HMDB2010	NA	NA
+EUR1059	SM(d18:1/15:0) monoisotopic mass 	C38H78N2O6P	689.559751	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1066	SM(d18:1/16:0) [M-H-CH3]-	C39H80N2O6P	689.559751	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1059	SM(d18:1/15:0) monoisotopic mass 	C38H78N2O6P	689.559751	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1066	SM(d18:1/16:0) [M-H-CH3]-	C39H80N2O6P	689.559751	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1059	SM(d18:1/15:0) monoisotopic mass 	C38H78N2O6P	689.559751	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1066	SM(d18:1/16:0) [M-H-CH3]-	C39H80N2O6P	689.559751	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1059	SM(d18:1/15:0) monoisotopic mass 	C38H78N2O6P	689.559751	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1066	SM(d18:1/16:0) [M-H-CH3]-	C39H80N2O6P	689.559751	masses lipides attendues	Inhousejuil11	NA	NA
+C16463	3',5'-Cyclic diGMP	C20H24N10O14P2	690.0949	NA	KEGG	NA	NA
+FL5FAAGLS003	Kaempferol 3-(6''-sulfatogetiobioside)	C27H30O19S	690.11019	75759-58-9	knapsack	NA	NA
+MJ090639	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-(O-Sulfoxy-?-L-rhamnopyranoside) 	C27H30O19S	690.110199	NA	MeJP	NA	NA
+MJ090640	Orientin; 7-O-(O-Sulfatoglucoside) 	C27H30O19S	690.110199	NA	MeJP	NA	NA
+PJ017130	CCCCEM 	C22H38N6O9S5	690.1304	NA	PeJP	NA	NA
+PJ017131	PCCCCY 	C26H38N6O8S4	690.1634	NA	PeJP	NA	NA
+PJ017132	TCCCMM 	C23H42N6O8S5	690.1668	NA	PeJP	NA	NA
+MJ090641	Lyngbyabellin A 	C29H40Cl2N4O7S2	690.171546	NA	MeJP	NA	NA
+MJ090642	Visnagin oligomers; Visnagin trimer (n = 2) 	C39H30O12	690.173726	NA	MeJP	NA	NA
+PJ017133	GCCDMY 	C26H38N6O10S3	690.1812	NA	PeJP	NA	NA
+PJ017134	SCDDDH 	C24H34N8O14S	690.1916	NA	PeJP	NA	NA
+PJ017135	PCCCEH 	C25H38N8O9S3	690.1924	NA	PeJP	NA	NA
+PJ017136	PDDDDD 	C25H34N6O17	690.1981	NA	PeJP	NA	NA
+PJ017137	SSCCEY 	C26H38N6O12S2	690.1989	NA	PeJP	NA	NA
+PJ017138	GCCMMF 	C27H42N6O7S4	690.1998	NA	PeJP	NA	NA
+MJ090643	Formadicins; Formadicin B 	C30H34N4O15	690.202066	NA	MeJP	NA	NA
+PJ017139	GCDEMH 	C25H38N8O11S2	690.2102	NA	PeJP	NA	NA
+PJ017140	GCCDFF 	C30H38N6O9S2	690.2142	NA	PeJP	NA	NA
+MJ090644	Swertisin; 2''-O-(2-O-Acetyl-?-L-rhamnopyranosyl), 4-Me ether, O''-Ac 	C33H38O16	690.215985	NA	MeJP	NA	NA
+PJ017141	GSCMMY 	C27H42N6O9S3	690.2176	NA	PeJP	NA	NA
+PJ017142	SCCNQH 	C24H38N10O10S2	690.2214	NA	PeJP	NA	NA
+MJ090645	4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylethyl)-3H-1,2,4-triazol-3-one 	C34H36Cl2N8O4	690.223657	NA	MeJP	NA	NA
+PJ017143	CDMHW 	C29H38N8O8S2	690.2254	NA	PeJP	NA	NA
+PJ017144	SSDDMH 	C25H38N8O13S	690.2279	NA	PeJP	NA	NA
+PJ017145	GGGGPCDE 	C25H38N8O13S	690.228	NA	PeJP	NA	NA
+PJ017146	PTCCMH 	C26H42N8O8S3	690.2288	NA	PeJP	NA	NA
+MJ090646	Aquayamycin; 3'-Deoxy, 3,4'-bis-O-(2,3,6-trideoxy-?-D-glycero-hex-2-enopyranos-4-ulosyl) 	C37H38O13	690.231241	NA	MeJP	NA	NA
+PJ017147	CNEYY 	C30H38N6O11S	690.2319	NA	PeJP	NA	NA
+PJ017148	GGCEYY 	C30H38N6O11S	690.232	NA	PeJP	NA	NA
+PJ017149	SPDDEE 	C26H38N6O16	690.2345	NA	PeJP	NA	NA
+PJ017150	SSTCMY 	C27H42N6O11S2	690.2353	NA	PeJP	NA	NA
+PJ017151	GSSSCNH 	C24H38N10O12S	690.2392	NA	PeJP	NA	NA
+PJ017152	GPCNDW 	C29H38N8O10S	690.2432	NA	PeJP	NA	NA
+PJ017153	GNNEEE 	C25H38N8O15	690.2457	NA	PeJP	NA	NA
+PJ017154	GSEMMH 	C26H42N8O10S2	690.2466	NA	PeJP	NA	NA
+PJ017155	GCYYW 	C34H38N6O8S	690.2472	NA	PeJP	NA	NA
+PJ017156	GSSDYY 	C30H38N6O13	690.2497	NA	PeJP	NA	NA
+PJ017157	CQMFY 	C31H42N6O8S2	690.2506	NA	PeJP	NA	NA
+MJ090647	1,2,3,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Benzoyl, 1,2,3,6,9,14-hexa-Ac 	C34H42O15	690.25237	NA	MeJP	NA	NA
+MJ090648	3,3',4',5,7-Pentahydroxy-8-prenylflavone; 4',7-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C34H42O15	690.25237	NA	MeJP	NA	NA
+FL5FCEGI0001	8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside;3-[[6-Deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C34H42O15	690.25237	209166-99-4	knapsack	NA	NA
+PJ017158	GPEEEM 	C27H42N6O13S	690.2531	NA	PeJP	NA	NA
+PJ017159	GCNNHF 	C28H38N10O9S	690.2544	NA	PeJP	NA	NA
+MJ090649	2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-[2-(3-Methylbutanoyl)-3-sulfo-?-D-glucopyranoside] 	C31H46O15S	690.255741	NA	MeJP	NA	NA
+PJ017160	GNDDDR 	C24H38N10O14	690.2569	NA	PeJP	NA	NA
+PJ017161	GGGGGGGGSE 	C24H38N10O14	690.257	NA	PeJP	NA	NA
+PJ017162	SCCNKH 	C25H42N10O9S2	690.2578	NA	PeJP	NA	NA
+PJ017163	NNEEW 	C29H38N8O12	690.2609	NA	PeJP	NA	NA
+PJ017164	GGNEEW 	C29H38N8O12	690.261	NA	PeJP	NA	NA
+PJ017165	SMMHW 	C30H42N8O7S2	690.2618	NA	PeJP	NA	NA
+PJ017166	SSTEMH 	C26H42N8O12S	690.2643	NA	PeJP	NA	NA
+PJ017167	AAMMMH 	C27H46N8O7S3	690.2652	NA	PeJP	NA	NA
+PJ017168	GTCHHH 	C27H38N12O8S	690.2657	NA	PeJP	NA	NA
+MJ090650	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 5,7-Dibenzoyl, 3,15-di-Ac 	C38H42O12	690.267626	NA	MeJP	NA	NA
+MJ090651	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Ketone, 9?-alcohol, 5,7-dibenzoyl, 3,15-di-Ac 	C38H42O12	690.267626	NA	MeJP	NA	NA
+MJ090652	Staminolactone A 	C38H42O12	690.267626	NA	MeJP	NA	NA
+MJ090653	Staminolactone B 	C38H42O12	690.267626	NA	MeJP	NA	NA
+PJ017169	PEEMW 	C31H42N6O10S	690.2683	NA	PeJP	NA	NA
+PJ017170	AVDEEE 	C27H42N6O15	690.2708	NA	PeJP	NA	NA
+PJ017171	GVEEEE 	C27H42N6O15	690.2709	NA	PeJP	NA	NA
+PJ017172	SPPEMM 	C28H46N6O10S2	690.2717	NA	PeJP	NA	NA
+PJ017173	GSNNNW 	C28H38N10O11	690.2722	NA	PeJP	NA	NA
+PJ017174	SPCNDR 	C25H42N10O11S	690.2755	NA	PeJP	NA	NA
+PJ017175	GGSPCDR 	C25H42N10O11S	690.2756	NA	PeJP	NA	NA
+PJ017176	GNEWW 	C33H38N8O9	690.2762	NA	PeJP	NA	NA
+PJ017177	GSPNMW 	C30H42N8O9S	690.2796	NA	PeJP	NA	NA
+PJ017178	EEEER 	C26H42N8O14	690.2821	NA	PeJP	NA	NA
+MJ090654	Ingenol; 20-Deoxy, 13-(phenylacetyloxy), 16-(benzoyloxy), 3-benzoyl 	C42H42O9	690.282882	NA	MeJP	NA	NA
+PJ017179	ATTMMH 	C27H46N8O9S2	690.2829	NA	PeJP	NA	NA
+PJ017180	GGAPQMM 	C27H46N8O9S2	690.283	NA	PeJP	NA	NA
+PJ017181	SSSHHH 	C27H38N12O10	690.2834	NA	PeJP	NA	NA
+PJ017182	CQFFF 	C35H42N6O7S	690.2836	NA	PeJP	NA	NA
+PJ017183	VEEEW 	C31H42N6O12	690.2861	NA	PeJP	NA	NA
+PJ017184	GCNNQR 	C24H42N12O10S	690.2868	NA	PeJP	NA	NA
+PJ017185	CKMFY 	C32H46N6O7S2	690.287	NA	PeJP	NA	NA
+PJ017186	PDHHW 	C32H38N10O8	690.2874	NA	PeJP	NA	NA
+MJ090655	11(15?1)-Abeo-11-taxene-2,4,5,7,9,10,13,15,20-nonol, 10-Benzoyl, 5,7,9,20-tetra-Ac 	C35H46O14	690.288756	NA	MeJP	NA	NA
+MJ090656	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Angeloyl, 2,3,5,7,15-penta-Ac 	C35H46O14	690.288756	NA	MeJP	NA	NA
+MJ090657	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Tigloyl, 2,3,5,7,15-penta-Ac 	C35H46O14	690.288756	NA	MeJP	NA	NA
+MJ090658	Atomasin A 	C35H46O14	690.288756	NA	MeJP	NA	NA
+MJ090659	Meliacarpinin; 11-Methoxy, 1-tigloyl, 3-Ac 	C35H46O14	690.288756	NA	MeJP	NA	NA
+MJ090660	Meliacarpinin; 11-Methoxy, 3-tigloyl, 1-Ac 	C35H46O14	690.288756	NA	MeJP	NA	NA
+MJ090661	Squalestatin H2; 6-O-(4S,6S-Dimethyl-2-octenoyl), 12-Ac 	C35H46O14	690.288756	NA	MeJP	NA	NA
+PJ017187	SPVEEM 	C28H46N6O12S	690.2895	NA	PeJP	NA	NA
+PJ017188	PPCLMM 	C29H50N6O7S3	690.2903	NA	PeJP	NA	NA
+PJ017189	CEHFR 	C29H42N10O8S	690.2908	NA	PeJP	NA	NA
+PJ017190	NWWW 	C37H38N8O6	690.2914	NA	PeJP	NA	NA
+PJ017191	GGWWW 	C37H38N8O6	690.2915	NA	PeJP	NA	NA
+PJ017192	GSNEER 	C25H42N10O13	690.2933	NA	PeJP	NA	NA
+PJ017193	GPCQMR 	C26H46N10O8S2	690.2942	NA	PeJP	NA	NA
+PJ017194	AMHFW 	C34H42N8O6S	690.2948	NA	PeJP	NA	NA
+PJ017195	NDKEW 	C30H42N8O11	690.2973	NA	PeJP	NA	NA
+PJ017196	GGGGAPEF 	C30H42N8O11	690.2974	NA	PeJP	NA	NA
+PJ017197	NHHHF 	C31H38N12O7	690.2987	NA	PeJP	NA	NA
+PJ017198	TTTTMH 	C27H46N8O11S	690.3007	NA	PeJP	NA	NA
+PJ017199	AQFYY 	C35H42N6O9	690.3013	NA	PeJP	NA	NA
+PJ017200	PPEYW 	C35H42N6O9	690.3014	NA	PeJP	NA	NA
+PJ017201	SSNNNR 	C24H42N12O12	690.3045	NA	PeJP	NA	NA
+PJ017202	GGGGSSNR 	C24H42N12O12	690.3046	NA	PeJP	NA	NA
+PJ017203	SKMYY 	C32H46N6O9S	690.3047	NA	PeJP	NA	NA
+PJ017204	GPCCRR 	C25H46N12O7S2	690.3054	NA	PeJP	NA	NA
+PJ017205	ATLEEE 	C28H46N6O14	690.3072	NA	PeJP	NA	NA
+PJ017206	APLEMM 	C29H50N6O9S2	690.3081	NA	PeJP	NA	NA
+PJ017207	SNERW 	C29H42N10O10	690.3086	NA	PeJP	NA	NA
+MJ090662	Orthoesterol A; Disulfate 	C33H54O11S2	690.310753	NA	MeJP	NA	NA
+PJ017208	QQEMR 	C26H46N10O10S	690.3119	NA	PeJP	NA	NA
+PJ017209	GGGVDMR 	C26H46N10O10S	690.312	NA	PeJP	NA	NA
+PJ017210	GDKWW 	C34H42N8O8	690.3126	NA	PeJP	NA	NA
+PJ017211	VQQMW 	C31H46N8O8S	690.3159	NA	PeJP	NA	NA
+PJ017212	GGLQMW 	C31H46N8O8S	690.316	NA	PeJP	NA	NA
+PJ017213	SSLQQE 	C27H46N8O13	690.3184	NA	PeJP	NA	NA
+PJ017214	GTQKEE 	C27H46N8O13	690.3185	NA	PeJP	NA	NA
+MJ090663	Yukomarin 	C43H46O8	690.319268	NA	MeJP	NA	NA
+PJ017215	GPQKMM 	C28H50N8O8S2	690.3193	NA	PeJP	NA	NA
+PJ017216	AAQQHH 	C28H42N12O9	690.3198	NA	PeJP	NA	NA
+PJ017217	CKFFF 	C36H46N6O6S	690.32	NA	PeJP	NA	NA
+PJ017218	SPPVEY 	C32H46N6O11	690.3225	NA	PeJP	NA	NA
+MJ090664	Bastaxanthol; 16'-Aldehyde, 3-O-sulfate 	C40H50O8S	690.322639	NA	MeJP	NA	NA
+PJ017219	NDMRR 	C25H46N12O9S	690.3232	NA	PeJP	NA	NA
+PJ017220	GSRWW 	C33H42N10O7	690.3238	NA	PeJP	NA	NA
+MJ090665	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis(2-methylbutanoyl), 1,2-di-Ac 	C36H50O13	690.325141	NA	MeJP	NA	NA
+MJ090666	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 8,14-bis(2-methylbutanoyl), 1,6-di-Ac 	C36H50O13	690.325141	NA	MeJP	NA	NA
+MJ090667	Aquastatin B; 4'-O-?-D-Glucuronopyranoside 	C36H50O13	690.325141	NA	MeJP	NA	NA
+MJ090668	Prasinic acid; O-De-Me, 2-O-(6-O-acetyl-?-D-galactopyranoside) 	C36H50O13	690.325141	NA	MeJP	NA	NA
+MJ090669	Prasinic acid; O-De-Me, 2-O-(6-O-acetyl-?-D-glucopyranoside) 	C36H50O13	690.325141	NA	MeJP	NA	NA
+PJ017221	PTTLEM 	C29H50N6O11S	690.3258	NA	PeJP	NA	NA
+PJ017222	GLLEEM 	C29H50N6O11S	690.3259	NA	PeJP	NA	NA
+PJ017223	AQMRW 	C30H46N10O7S	690.3272	NA	PeJP	NA	NA
+MJ090670	3,6,20-Trihydroxycholestan-23-one, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C33H54O13S	690.328512	NA	MeJP	NA	NA
+MJ090671	Cholest-9(11)-ene-3,6,16,20-tetrol, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C33H54O13S	690.328512	NA	MeJP	NA	NA
+MJ090672	Furost-5-ene-1,3,22,26-tetrol, 26-O-?-D-Glucopyranoside, 1-sulfate 	C33H54O13S	690.328512	NA	MeJP	NA	NA
+PJ017224	GSDKER 	C26H46N10O12	690.3297	NA	PeJP	NA	NA
+MJ090673	Dalfopristin 	C34H50N4O9S	690.329849	NA	MeJP	NA	NA
+C08033	Dalfopristin	C34H50N4O9S	690.3299	NA	KEGG	NA	NA
+PJ017225	GPCKMR 	C27H50N10O7S2	690.3306	NA	PeJP	NA	NA
+PJ017226	NQHHR 	C27H42N14O8	690.331	NA	PeJP	NA	NA
+PJ017227	GGGAHHR 	C27H42N14O8	690.3311	NA	PeJP	NA	NA
+PJ017228	TQKEW 	C31H46N8O10	690.3337	NA	PeJP	NA	NA
+PJ017229	GVQKEM 	C28H50N8O10S	690.3371	NA	PeJP	NA	NA
+PJ017230	PLEFW 	C36H46N6O8	690.3377	NA	PeJP	NA	NA
+PJ017231	ACRRW 	C29H46N12O6S	690.3384	NA	PeJP	NA	NA
+PJ017232	GSSERR 	C25H46N12O11	690.3409	NA	PeJP	NA	NA
+PJ017233	LLEMW 	C33H50N6O8S	690.3411	NA	PeJP	NA	NA
+MJ090674	Peceyline; N1-De-Me 	C41H46N4O6	690.341735	NA	MeJP	NA	NA
+PJ017234	STLLEE 	C29H50N6O13	690.3436	NA	PeJP	NA	NA
+PJ017235	SPLLMM 	C30H54N6O8S2	690.3445	NA	PeJP	NA	NA
+PJ017236	SDKRW 	C30H46N10O9	690.3449	NA	PeJP	NA	NA
+PJ017237	GATTRW 	C30H46N10O9	690.345	NA	PeJP	NA	NA
+PJ017238	QKEMR 	C27H50N10O9S	690.3483	NA	PeJP	NA	NA
+PJ017239	ATKWW 	C35H46N8O7	690.349	NA	PeJP	NA	NA
+PJ017240	VQKMW 	C32H50N8O7S	690.3523	NA	PeJP	NA	NA
+PJ017241	GGLKMW 	C32H50N8O7S	690.3524	NA	PeJP	NA	NA
+PJ017242	ASKKEE 	C28H50N8O12	690.3548	NA	PeJP	NA	NA
+PJ017243	GTKKEE 	C28H50N8O12	690.3549	NA	PeJP	NA	NA
+MJ090675	Tepicanol A 	C44H50O7	690.355653	NA	MeJP	NA	NA
+PJ017244	GPKKMM 	C29H54N8O7S2	690.3557	NA	PeJP	NA	NA
+PJ017245	SSRRW 	C29H46N12O8	690.3562	NA	PeJP	NA	NA
+PJ017246	GPLLEY 	C33H50N6O10	690.3589	NA	PeJP	NA	NA
+PJ017247	TQMRR 	C26H50N12O8S	690.3596	NA	PeJP	NA	NA
+PJ017248	VLHHW 	C34H46N10O6	690.3602	NA	PeJP	NA	NA
+PJ017249	SVLLEM 	C30H54N6O10S	690.3622	NA	PeJP	NA	NA
+PJ017250	AKMRW 	C31H50N10O6S	690.3636	NA	PeJP	NA	NA
+PJ017251	GTTKER 	C27H50N10O11	690.3661	NA	PeJP	NA	NA
+PJ017252	NKHHR 	C28H46N14O7	690.3674	NA	PeJP	NA	NA
+PJ017253	TKKEW 	C32H50N8O9	690.3701	NA	PeJP	NA	NA
+PJ017254	TCRRR 	C25H50N14O7S	690.3708	NA	PeJP	NA	NA
+PJ017255	GVKKEM 	C29H54N8O9S	690.3735	NA	PeJP	NA	NA
+PJ017256	PLLYW 	C37H50N6O7	690.3741	NA	PeJP	NA	NA
+PJ017257	GTTTRR 	C26H50N12O10	690.3773	NA	PeJP	NA	NA
+PJ017258	APLLMF 	C34H54N6O7S	690.3775	NA	PeJP	NA	NA
+C09193	Gabunamine	C42H50N4O5	690.3781	NA	KEGG	NA	NA
+C09195	Gabunine	C42H50N4O5	690.3781	NA	KEGG	NA	NA
+MJ090676	Alstomacroline 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090677	Conoduramine; N-De-Me 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090678	Conoduramine; O-De-Me 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090679	Conodurine; N-De-Me 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090680	Plumocraline 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090681	Villalstonine; 10-Methoxy 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090682	Voacamine; N-De-Me 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+MJ090683	Voacanga thouarsii Alkaloid G 	C42H50N4O5	690.37812	NA	MeJP	NA	NA
+PJ017259	ALLLMM 	C31H58N6O7S2	690.3809	NA	PeJP	NA	NA
+PJ017260	TTKRW 	C31H50N10O8	690.3813	NA	PeJP	NA	NA
+MJ090684	Immunopoietin M 	C31H50N10O8	690.381308	NA	MeJP	NA	NA
+PJ017261	GGGVVFR 	C31H50N10O8	690.3814	NA	PeJP	NA	NA
+MJ090685	Candida bombicola Sophorolipid lactone; 9'',10''-Dihydro, 6,6'-di-Ac 	C34H58O14	690.382656	NA	MeJP	NA	NA
+PJ017262	KKEMR 	C28H54N10O8S	690.3847	NA	PeJP	NA	NA
+PJ017263	LKHFF 	C36H50N8O6	690.3854	NA	PeJP	NA	NA
+MJ090686	Alkaloid LC7 	C40H54N2O8	690.388016	NA	MeJP	NA	NA
+PJ017264	VKKMW 	C33H54N8O6S	690.3887	NA	PeJP	NA	NA
+PJ017265	SSLKKE 	C29H54N8O11	690.3912	NA	PeJP	NA	NA
+PJ017266	VNFRR 	C30H50N12O7	690.3926	NA	PeJP	NA	NA
+3368	ACE inhibitor	FQKVVA	690.393	celiac toxic	Inhouse_peptide	NA	peptide
+25	Hemoglobin	FQKVVA	690.395	celiac toxic	Inhouse_peptide	NA	peptide
+PJ017267	SPVLLY 	C34H54N6O9	690.3952	NA	PeJP	NA	NA
+PJ017268	PVVTLY 	C34H54N6O9	690.3953	NA	PeJP	NA	NA
+PJ017269	TKMRR 	C27H54N12O7S	690.3959	NA	PeJP	NA	NA
+MJ090687	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-D-galactopyranoside 	C38H58O11	690.397912	NA	MeJP	NA	NA
+MJ090688	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 25-Ac, 3-O-?-D-glucopyranoside 	C38H58O11	690.397912	NA	MeJP	NA	NA
+MJ090689	24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-?-D-galactopyranoside 	C38H58O11	690.397912	NA	MeJP	NA	NA
+MJ090690	Hygrolidin 	C38H58O11	690.397912	NA	MeJP	NA	NA
+PJ017270	TTLLLM 	C31H58N6O9S	690.3986	NA	PeJP	NA	NA
+PJ017271	SSTLKR 	C28H54N10O10	690.4025	NA	PeJP	NA	NA
+PJ017272	GFRRR 	C29H50N14O6	690.4038	NA	PeJP	NA	NA
+PJ017273	GPVKKY 	C33H54N8O8	690.4065	NA	PeJP	NA	NA
+PJ017274	ATLKKM 	C30H58N8O8S	690.4099	NA	PeJP	NA	NA
+PJ017275	LLLFW 	C38H54N6O6	690.4105	NA	PeJP	NA	NA
+C09234	Quadrigemine A	C44H50N8	690.4158	NA	KEGG	NA	NA
+MJ090691	Psycholeine 	C44H50N8	690.415843	NA	MeJP	NA	NA
+MJ090692	Quadrigemine A 	C44H50N8	690.415843	NA	MeJP	NA	NA
+MJ090693	Quadrigemine B 	C44H50N8	690.415843	NA	MeJP	NA	NA
+MJ090694	Quadrigemine H 	C44H50N8	690.415843	NA	MeJP	NA	NA
+MJ090695	Quadrigemine I 	C44H50N8	690.415843	NA	MeJP	NA	NA
+PJ017276	PKKRY 	C32H54N10O7	690.4177	NA	PeJP	NA	NA
+PJ017277	GCKKKK 	C29H58N10O7S	690.4211	NA	PeJP	NA	NA
+PJ017278	TTTLKK 	C30H58N8O10	690.4276	NA	PeJP	NA	NA
+PJ017279	GLLLLY 	C35H58N6O8	690.4316	NA	PeJP	NA	NA
+MJ090696	12-Oleanene-3,15,16,21,22,28-hexol, 21 or 22-(2-Acetoxy-2-methylbutanoyl), 28-Ac 	C39H62O10	690.434298	NA	MeJP	NA	NA
+MJ090697	Roseofungin 	C39H62O10	690.434298	NA	MeJP	NA	NA
+MJ090698	SRI 63-675 	C38H63N2O7P	690.437288	NA	MeJP	NA	NA
+PJ017280	GVLKKF 	C34H58N8O7	690.4429	NA	PeJP	NA	NA
+PJ017281	LKKFR 	C33H58N10O6	690.4541	NA	PeJP	NA	NA
+MJ090699	Minalemines; Minalemine B, N13-Sulfate 	C30H62N10O6S	690.45745	NA	MeJP	NA	NA
+MJ090700	3-(17-Tetracosenyloxy)-1,2-propanediol, Di-O-?-D-Xylopyranoside 	C37H70O11	690.491813	NA	MeJP	NA	NA
+HMDB07469	DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07498	DG(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07525	DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07526	DG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07554	DG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07555	DG(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07582	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07694	DG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07721	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07722	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07750	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07751	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07777	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+HMDB07778	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)	C45H70O5	690.522339	NA	HMDB2010	NA	NA
+MJ090701	23-Methylpentacosanoic acid; Heneicosyl ester 	C47H94O2	690.725382	NA	MeJP	NA	NA
+MJ090702	Fodipir; Mn(II) complex 	C22H30MnN4O14P2	691.061424	NA	MeJP	NA	NA
+MJ090703	Hexakis(methyl isocyanoacetate)technetium(I)(1+) 	C24H30N6O12Tc(+)	691.091561	NA	MeJP	NA	NA
+PJ017282	GTCCCCC 	C21H37N7O9S5	691.1257	NA	PeJP	NA	NA
+PJ017283	SSSCCCC 	C21H37N7O11S4	691.1434	NA	PeJP	NA	NA
+PJ017284	CCCCNF 	C25H37N7O8S4	691.1587	NA	PeJP	NA	NA
+PJ017285	SCCCNY 	C25H37N7O10S3	691.1764	NA	PeJP	NA	NA
+PJ017286	SCCNEH 	C24H37N9O11S2	691.2054	NA	PeJP	NA	NA
+PJ017287	PCNDDE 	C25H37N7O14S	691.2119	NA	PeJP	NA	NA
+PJ017288	GGPCDDE 	C25H37N7O14S	691.212	NA	PeJP	NA	NA
+PJ017289	CDEYY 	C30H37N5O12S	691.216	NA	PeJP	NA	NA
+PJ017290	GSCCHW 	C28H37N9O8S2	691.2207	NA	PeJP	NA	NA
+PJ017291	GSSSCDH 	C24H37N9O13S	691.2232	NA	PeJP	NA	NA
+PJ017292	GCNMMH 	C25H41N9O8S3	691.2241	NA	PeJP	NA	NA
+PJ017293	GPCDDW 	C29H37N7O11S	691.2272	NA	PeJP	NA	NA
+PJ017294	GNDEEE 	C25H37N7O16	691.2297	NA	PeJP	NA	NA
+PJ017295	GSPPCCE 	C26H41N7O11S2	691.2306	NA	PeJP	NA	NA
+PJ017296	CNNNNN 	C23H37N11O12S	691.2344	NA	PeJP	NA	NA
+PJ017297	GGGGGGGGGGC 	C23H37N11O12S	691.2345	NA	PeJP	NA	NA
+PJ017298	CEMFY 	C31H41N5O9S2	691.2346	NA	PeJP	NA	NA
+PJ017299	ACCCHR 	C24H41N11O7S3	691.2353	NA	PeJP	NA	NA
+PJ017300	GCNDHF 	C28H37N9O10S	691.2384	NA	PeJP	NA	NA
+PJ017301	GGGCDHF 	C28H37N9O10S	691.2385	NA	PeJP	NA	NA
+PJ017302	SNNNDE 	C24H37N9O15	691.2409	NA	PeJP	NA	NA
+PJ017303	GDDDDR 	C24H37N9O15	691.241	NA	PeJP	NA	NA
+PJ017304	SSCQMH 	C25H41N9O10S2	691.2418	NA	PeJP	NA	NA
+PJ017305	NDEEW 	C29H37N7O13	691.245	NA	PeJP	NA	NA
+PJ017306	SPPCCW 	C30H41N7O8S2	691.2458	NA	PeJP	NA	NA
+PJ017307	SPNDEM 	C26H41N7O13S	691.2483	NA	PeJP	NA	NA
+PJ017308	PPCNMM 	C27H45N7O8S3	691.2492	NA	PeJP	NA	NA
+PJ017309	SEMYY 	C31H41N5O11S	691.2523	NA	PeJP	NA	NA
+PJ017310	SSCCHR 	C24H41N11O9S2	691.253	NA	PeJP	NA	NA
+HMDB00445	Alpha-Tetrasaccharide	C26H45NO20	691.253479	NA	HMDB2010	NA	NA
+HMDB00445	a-Tetrasaccharide	C26H45NO20	691.25348	http://www.hmdb.ca/metabolites/HMDB00445	HMDB	NA	NA
+HMDB00445	a-Tetrasaccharide	C26H45NO20	691.25348	HMDB00445	PFEM_hmdb_metabocards_official	NA	NA
+PJ017311	GSNNDW 	C28H37N9O12	691.2562	NA	PeJP	NA	NA
+PJ017312	SPCDDR 	C25H41N9O12S	691.2596	NA	PeJP	NA	NA
+PJ017313	GDEWW 	C33H37N7O10	691.2602	NA	PeJP	NA	NA
+PJ017314	ACCKMH 	C26H45N9O7S3	691.2604	NA	PeJP	NA	NA
+PJ017315	GSPDMW 	C30H41N7O10S	691.2636	NA	PeJP	NA	NA
+PJ017316	GTQEEE 	C26H41N7O15	691.2661	NA	PeJP	NA	NA
+PJ017317	GPQEMM 	C27H45N7O10S2	691.267	NA	PeJP	NA	NA
+PJ017318	PCFYY 	C35H41N5O8S	691.2676	NA	PeJP	NA	NA
+PJ017319	MMHHH 	C28H41N11O6S2	691.2683	NA	PeJP	NA	NA
+PJ017320	GCNNER 	C24H41N11O11S	691.2708	NA	PeJP	NA	NA
+PJ017321	CLMYY 	C32H45N5O8S2	691.271	NA	PeJP	NA	NA
+PJ017322	NNQMW 	C29H41N9O9S	691.2748	NA	PeJP	NA	NA
+PJ017323	DWWW 	C37H37N7O7	691.2755	NA	PeJP	NA	NA
+PJ017324	GSDEER 	C25H41N9O14	691.2773	NA	PeJP	NA	NA
+PJ017325	GPCEMR 	C26H45N9O9S2	691.2782	NA	PeJP	NA	NA
+PJ017326	GNNNHH 	C26H37N13O10	691.2787	NA	PeJP	NA	NA
+PJ017327	PTCWW 	C34H41N7O7S	691.2788	NA	PeJP	NA	NA
+PJ017328	TQEEW 	C30H41N7O12	691.2813	NA	PeJP	NA	NA
+PJ017329	GATEEW 	C30H41N7O12	691.2814	NA	PeJP	NA	NA
+PJ017330	PQMMW 	C31H45N7O7S2	691.2822	NA	PeJP	NA	NA
+PJ017331	DHHHF 	C31H37N11O8	691.2827	NA	PeJP	NA	NA
+PJ017332	GVQEEM 	C27H45N7O12S	691.2847	NA	PeJP	NA	NA
+PJ017333	SPYYY 	C35H41N5O10	691.2853	NA	PeJP	NA	NA
+PJ017334	AEFYY 	C35H41N5O10	691.2854	NA	PeJP	NA	NA
+PJ017335	CNNRW 	C28H41N11O8S	691.286	NA	PeJP	NA	NA
+PJ017336	GGCNRW 	C28H41N11O8S	691.2861	NA	PeJP	NA	NA
+MJ090704	Maytansine 	C34H46ClN3O10	691.287172	NA	MeJP	NA	NA
+C10606	Maytansine	C34H46ClN3O10	691.2872	NA	KEGG	NA	NA
+PJ017337	SSNNDR 	C24H41N11O13	691.2886	NA	PeJP	NA	NA
+PJ017338	SDERW 	C29H41N9O11	691.2926	NA	PeJP	NA	NA
+PJ017339	PCMRW 	C30H45N9O6S2	691.2935	NA	PeJP	NA	NA
+PJ017340	QEEMR 	C26H45N9O11S	691.2959	NA	PeJP	NA	NA
+PJ017341	GAEEMR 	C26H45N9O11S	691.296	NA	PeJP	NA	NA
+PJ017342	ATEWW 	C34H41N7O9	691.2966	NA	PeJP	NA	NA
+MJ090705	Cardiopidine; 14-Hydroxy, O3-deacyl, O2-(2-methylbutanoyl), O3-Ac 	C38H45NO11	691.299261	NA	MeJP	NA	NA
+PJ017343	VQEMW 	C31H45N7O9S	691.3	NA	PeJP	NA	NA
+PJ017344	GTKEEE 	C27H45N7O14	691.3025	NA	PeJP	NA	NA
+PJ017345	APDKMM 	C28H49N7O9S2	691.3033	NA	PeJP	NA	NA
+PJ017346	GPKEMM 	C28H49N7O9S2	691.3034	NA	PeJP	NA	NA
+PJ017347	AAQEHH 	C28H41N11O10	691.3038	NA	PeJP	NA	NA
+PJ017348	CLFFY 	C36H45N5O7S	691.304	NA	PeJP	NA	NA
+PJ017349	DDMRR 	C25H45N11O10S	691.3072	NA	PeJP	NA	NA
+PJ017350	NQHFF 	C33H41N9O8	691.3078	NA	PeJP	NA	NA
+PJ017351	AEMRW 	C30H45N9O8S	691.3112	NA	PeJP	NA	NA
+PJ017352	GPFWW 	C38H41N7O6	691.3119	NA	PeJP	NA	NA
+PJ017353	GTTEER 	C26H45N9O13	691.3137	NA	PeJP	NA	NA
+PJ017354	GPTMMR 	C27H49N9O8S2	691.3146	NA	PeJP	NA	NA
+PJ017355	NEHHR 	C27H41N13O9	691.315	NA	PeJP	NA	NA
+PJ017356	GGEHHR 	C27H41N13O9	691.3151	NA	PeJP	NA	NA
+PJ017357	GLMWW 	C35H45N7O6S	691.3152	NA	PeJP	NA	NA
+PJ017358	TKEEW 	C31H45N7O11	691.3177	NA	PeJP	NA	NA
+PJ017359	GSCNRR 	C24H45N13O9S	691.3184	NA	PeJP	NA	NA
+PJ017360	PKMMW 	C32H49N7O6S2	691.3186	NA	PeJP	NA	NA
+PJ017361	VNHHW 	C32H41N11O7	691.3191	NA	PeJP	NA	NA
+PJ017362	GVKEEM 	C28H49N7O11S	691.3211	NA	PeJP	NA	NA
+PJ017363	ALYYY 	C36H45N5O9	691.3217	NA	PeJP	NA	NA
+PJ017364	APCKHH 	C29H45N11O7S	691.3224	NA	PeJP	NA	NA
+PJ017365	SSSQQR 	C25H45N11O12	691.3249	NA	PeJP	NA	NA
+PJ017366	GGGGSTTR 	C25H45N11O12	691.325	NA	PeJP	NA	NA
+PJ017367	TTERW 	C30H45N9O10	691.329	NA	PeJP	NA	NA
+PJ017368	GHHRW 	C31H41N13O6	691.3303	NA	PeJP	NA	NA
+PJ017369	KEEMR 	C27H49N9O10S	691.3323	NA	PeJP	NA	NA
+PJ017370	GGGDKKM 	C27H49N9O10S	691.3324	NA	PeJP	NA	NA
+PJ017371	STLWW 	C35H45N7O8	691.333	NA	PeJP	NA	NA
+PJ017372	VKEMW 	C32H49N7O8S	691.3364	NA	PeJP	NA	NA
+PJ017373	SSSPTTL 	C28H49N7O13	691.3388	NA	PeJP	NA	NA
+PJ017374	SSLKEE 	C28H49N7O13	691.3389	NA	PeJP	NA	NA
+PJ017375	SPVKMM 	C29H53N7O8S2	691.3397	NA	PeJP	NA	NA
+PJ017376	NQQFR 	C29H45N11O9	691.3402	NA	PeJP	NA	NA
+PJ017377	TEMRR 	C26H49N11O9S	691.3436	NA	PeJP	NA	NA
+PJ017378	APRYW 	C34H45N9O7	691.3442	NA	PeJP	NA	NA
+PJ017379	SLMRW 	C31H49N9O7S	691.3476	NA	PeJP	NA	NA
+PJ017380	SSTLER 	C27H49N9O12	691.3501	NA	PeJP	NA	NA
+PJ017381	AALMMR 	C28H53N9O7S2	691.351	NA	PeJP	NA	NA
+PJ017382	DKHHR 	C28H45N13O8	691.3514	NA	PeJP	NA	NA
+PJ017383	SSSLLW 	C32H49N7O10	691.3541	NA	PeJP	NA	NA
+PJ017384	PPHRW 	C33H45N11O6	691.3555	NA	PeJP	NA	NA
+MJ090706	Grandifoline 	C36H53NO12	691.356776	NA	MeJP	NA	NA
+MJ090707	Paludosine; 2''-O-L-Arabinofuranosyl 	C36H53NO12	691.356776	NA	MeJP	NA	NA
+PJ017385	ATLKEM 	C29H53N7O10S	691.3575	NA	PeJP	NA	NA
+PJ017386	SSSQKR 	C26H49N11O11	691.3613	NA	PeJP	NA	NA
+PJ017387	VMMRR 	C27H53N11O6S2	691.3622	NA	PeJP	NA	NA
+PJ017388	SHHRR 	C27H45N15O7	691.3627	NA	PeJP	NA	NA
+PJ017389	PKERY 	C31H49N9O9	691.3653	NA	PeJP	NA	NA
+PJ017390	GSSKKW 	C31H49N9O9	691.3654	NA	PeJP	NA	NA
+PJ017391	ATTLMR 	C28H53N9O9S	691.3687	NA	PeJP	NA	NA
+PJ017392	PVKYW 	C36H49N7O7	691.3694	NA	PeJP	NA	NA
+PJ017393	GPLKMF 	C33H53N7O7S	691.3728	NA	PeJP	NA	NA
+PJ017394	TTTLKE 	C29H53N7O12	691.3752	NA	PeJP	NA	NA
+PJ017395	GLLKMM 	C30H57N7O7S2	691.3761	NA	PeJP	NA	NA
+PJ017396	PTRRY 	C30H49N11O8	691.3766	NA	PeJP	NA	NA
+MJ090708	Fumonisin C1; 4-Deoxy 	C33H57NO14	691.377905	NA	MeJP	NA	NA
+PJ017397	GTCKKR 	C27H53N11O8S	691.38	NA	PeJP	NA	NA
+PJ017398	ALFRW 	C35H49N9O6	691.3806	NA	PeJP	NA	NA
+PJ017399	CKKKW 	C32H53N9O6S	691.384	NA	PeJP	NA	NA
+PJ017400	TTTTLR 	C28H53N9O11	691.3865	NA	PeJP	NA	NA
+PJ017401	APTLKY 	C33H53N7O9	691.3905	NA	PeJP	NA	NA
+MJ090709	Germine; ?-Angloyl, ?-tigloyl, ?-Ac 	C37H57NO11	691.393161	NA	MeJP	NA	NA
+PJ017402	STLLKM 	C30H57N7O9S	691.3939	NA	PeJP	NA	NA
+PJ017403	SSSKKR 	C27H53N11O10	691.3977	NA	PeJP	NA	NA
+PJ017404	LLQRY 	C32H53N9O8	691.4017	NA	PeJP	NA	NA
+PJ017405	GGGVKKF 	C32H53N9O8	691.4018	NA	PeJP	NA	NA
+PJ017406	GTKKKM 	C29H57N9O8S	691.4051	NA	PeJP	NA	NA
+PJ017407	VLKFW 	C37H53N7O6	691.4058	NA	PeJP	NA	NA
+C15733	Chivosazole F	C41H57NO8	691.4084	NA	KEGG	NA	NA
+MJ090710	Chivosazole E; Aglycone, 20-Me ether 	C41H57NO8	691.408417	NA	MeJP	NA	NA
+PJ017408	VVRRY 	C31H53N11O7	691.413	NA	PeJP	NA	NA
+PJ017409	STTKKK 	C29H57N9O10	691.4229	NA	PeJP	NA	NA
+MJ090711	Monamycins; Monamycin C 	C34H57N7O8	691.426861	NA	MeJP	NA	NA
+MJ090712	Monamycins; Monamycin D1 	C34H57N7O8	691.426861	NA	MeJP	NA	NA
+MJ090713	Monamycins; Monamycin D2 	C34H57N7O8	691.426861	NA	MeJP	NA	NA
+PJ017410	GVLLKY 	C34H57N7O8	691.4269	NA	PeJP	NA	NA
+PJ017411	LLKRY 	C33H57N9O7	691.4381	NA	PeJP	NA	NA
+HMDB07868	PC(14:0/15:0)	C37H74NO8P	691.515198	NA	HMDB2010	NA	NA
+HMDB07932	PC(15:0/14:0)	C37H74NO8P	691.515198	NA	HMDB2010	NA	NA
+HMDB08826	PE(14:0/18:0)	C37H74NO8P	691.515198	NA	HMDB2010	NA	NA
+HMDB08923	PE(16:0/16:0)	C37H74NO8P	691.515198	NA	HMDB2010	NA	NA
+HMDB08986	PE(18:0/14:0)	C37H74NO8P	691.515198	NA	HMDB2010	NA	NA
+HMDB05317	GPEtn(16:0/16:0)[U]	C37H74NO8P	691.5152	http://www.hmdb.ca/metabolites/HMDB05317	HMDB	NA	NA
+HMDB05325	GPEtn(18:0/14:0)[U]	C37H74NO8P	691.5152	http://www.hmdb.ca/metabolites/HMDB05325	HMDB	NA	NA
+HMDB05317	GPEtn(16:0/16:0)[U]	C37H74NO8P	691.5152	HMDB05317	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05325	GPEtn(18:0/14:0)[U]	C37H74NO8P	691.5152	HMDB05325	PFEM_hmdb_metabocards_official	NA	NA
+MJ090714	Pamamycin; Pamamycin 691 	C41H73NO7	691.538703	NA	MeJP	NA	NA
+HMDB13341	PC(o-14:0/16:0)	C38H78NO7P	691.551575	NA	HMDB2010	NA	NA
+EUR1041	SM(d18:0/16:0) [M-H-CH3]-	C39H82N2O6P	691.575401	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1041	SM(d18:0/16:0) [M-H-CH3]-	C39H82N2O6P	691.575401	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1041	SM(d18:0/16:0) [M-H-CH3]-	C39H82N2O6P	691.575401	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1041	SM(d18:0/16:0) [M-H-CH3]-	C39H82N2O6P	691.575401	masses lipides attendues	Inhousejuil11	NA	NA
+7800	ACE inhibitor from alpha s1-casein	FFVAPFPEVFGK	691.853	MH2+	Inhouse_peptide	NA	peptide
+8311	Anticancer peptide	FFVAPFPEVFGK	691.853	MH2+	Inhouse_peptide	NA	peptide
+C13024	Cefpimizole sodium	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+C13025	Transferred to D01569	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+C13026	Transferred to D01570	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+C13027	Transferred to D01571	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+C13028	Transferred to D01572	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+C13029	Transferred to D01573	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+C13030	Transferred to D01574	C28H25N6O10S2	692.0971	NA	KEGG	NA	NA
+HMDB01501	Guanosine diphosphate adenosine	C20H26N10O14P2	692.11053	http://www.hmdb.ca/metabolites/HMDB01501	HMDB	NA	NA
+HMDB01501	Guanosine diphosphate adenosine	C20H26N10O14P2	692.11053	HMDB01501	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01501	Guanosine diphosphate adenosine	C20H26N10O14P2	692.110535	NA	HMDB2010	NA	NA
+PJ017412	CCCCMM 	C22H40N6O7S6	692.1283	NA	PeJP	NA	NA
+PJ017413	CCCCDF 	C25H36N6O9S4	692.1427	NA	PeJP	NA	NA
+MJ090715	Cyclic malyl cyanidin; 3'-Deoxy 	C31H33O18(+)	692.158864	NA	MeJP	NA	NA
+PJ017414	SCCCDY 	C25H36N6O11S3	692.1604	NA	PeJP	NA	NA
+MJ090716	3,4,5-Tri-O-caffeoylquinic acid 	C35H32O15	692.17412	NA	MeJP	NA	NA
+MJ090717	?-Naphthocyclinone epoxide 	C35H32O15	692.17412	NA	MeJP	NA	NA
+PJ017415	ACCCMY 	C26H40N6O8S4	692.1791	NA	PeJP	NA	NA
+PJ017416	CCCNNH 	C23H36N10O9S3	692.1829	NA	PeJP	NA	NA
+PJ017417	SCCDEH 	C24H36N8O12S2	692.1894	NA	PeJP	NA	NA
+PJ017418	PCCCMH 	C25H40N8O7S4	692.1903	NA	PeJP	NA	NA
+FL5FEAGS0019	6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside)	C32H36O17	692.19524	124962-16-9	knapsack	NA	NA
+MJ090718	3,4',5,7-Tetrahydroxy-6-methoxyflavone; 3,7-Di-O-(3-O-acetyl-?-L-rhamnopyranoside) 	C32H36O17	692.195249	NA	MeJP	NA	NA
+MJ090719	Vitexin; 4'-Me ether, di-O''-Ac, 7-O-?-D-glucopyranoside 	C32H36O17	692.195249	NA	MeJP	NA	NA
+PJ017419	PCDDDE 	C25H36N6O15S	692.196	NA	PeJP	NA	NA
+PJ017420	SSCCMY 	C26H40N6O10S3	692.1968	NA	PeJP	NA	NA
+PJ017421	GCDMMH 	C25H40N8O9S3	692.2081	NA	PeJP	NA	NA
+MJ090720	8-[1-Hydroxy-2-[[5-hydroxy-3,6,8-trimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-7-yl]oxy]-3-methyl-3-butenyl]-7-methoxy-2H-1-benzopyran-2-one 	C36H36O14	692.210505	NA	MeJP	NA	NA
+PJ017422	ACCCFF 	C30H40N6O7S3	692.2121	NA	PeJP	NA	NA
+PJ017423	GDDEEE 	C25H36N6O17	692.2137	NA	PeJP	NA	NA
+PJ017424	CNNNND 	C23H36N10O13S	692.2184	NA	PeJP	NA	NA
+PJ017425	GGGGGGCND 	C23H36N10O13S	692.2185	NA	PeJP	NA	NA
+PJ017426	GCDDHF 	C28H36N8O11S	692.2225	NA	PeJP	NA	NA
+PJ017427	SNNDDE 	C24H36N8O16	692.2249	NA	PeJP	NA	NA
+PJ017428	GGSNDDE 	C24H36N8O16	692.225	NA	PeJP	NA	NA
+MJ090721	Albanin F 	C40H36O11	692.225761	NA	MeJP	NA	NA
+MJ090722	Artonin I 	C40H36O11	692.225761	NA	MeJP	NA	NA
+MJ090723	Kuwanon L; 2,3-Didehydro, 3-(3-methyl-2-butenyl) 	C40H36O11	692.225761	NA	MeJP	NA	NA
+MJ090724	Multicaulisin 	C40H36O11	692.225761	NA	MeJP	NA	NA
+C10099	Kuwanone G	C40H36O11	692.2258	NA	KEGG	NA	NA
+PJ017429	SSCEMH 	C25H40N8O11S2	692.2258	NA	PeJP	NA	NA
+PJ017430	GCCHHH 	C26H36N12O7S2	692.2272	NA	PeJP	NA	NA
+PJ017431	DDEEW 	C29H36N6O14	692.229	NA	PeJP	NA	NA
+PJ017432	CNMYY 	C30H40N6O9S2	692.2298	NA	PeJP	NA	NA
+C17750	Curcumin diglucoside	C33H40O16	692.2316	NA	KEGG	NA	NA
+FL5FABGI0006	Anhydroicaritin 3,7-diglucoside	C33H40O16	692.23163	151466-48-7	knapsack	NA	NA
+FL5FABGI0008	Cuhuoside;8-Prenylkaempferol 4'-methyl ether 7-cellobioside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C33H40O16	692.23163	150903-46-1	knapsack	NA	NA
+MJ090725	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3,7-di-O-?-D-glucopyranoside 	C33H40O16	692.231635	NA	MeJP	NA	NA
+MJ090726	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 7-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C33H40O16	692.231635	NA	MeJP	NA	NA
+PJ017433	SPCEEE 	C26H40N6O14S	692.2323	NA	PeJP	NA	NA
+PJ017434	SPDDEM 	C26H40N6O14S	692.2324	NA	PeJP	NA	NA
+PJ017435	PPCDMM 	C27H44N6O9S3	692.2332	NA	PeJP	NA	NA
+PJ017436	GSNDDW 	C28H36N8O13	692.2402	NA	PeJP	NA	NA
+PJ017437	GPCCQW 	C29H40N8O8S2	692.2411	NA	PeJP	NA	NA
+PJ017438	GNNEEM 	C25H40N8O13S	692.2436	NA	PeJP	NA	NA
+PJ017439	VTCCMH 	C26H44N8O8S3	692.2444	NA	PeJP	NA	NA
+PJ017440	GSMMMH 	C26H44N8O8S3	692.2445	NA	PeJP	NA	NA
+PJ017441	GSTCYY 	C30H40N6O11S	692.2476	NA	PeJP	NA	NA
+PJ017442	GTEEEE 	C26H40N6O16	692.2501	NA	PeJP	NA	NA
+PJ017443	GPEEMM 	C27H44N6O11S2	692.251	NA	PeJP	NA	NA
+PJ017444	PPCCHH 	C28H40N10O7S2	692.2523	NA	PeJP	NA	NA
+PJ017445	GCNDER 	C24H40N10O12S	692.2548	NA	PeJP	NA	NA
+PJ017446	NNEMW 	C29H40N8O10S	692.2588	NA	PeJP	NA	NA
+PJ017447	SSNQEE 	C25H40N8O15	692.2613	NA	PeJP	NA	NA
+PJ017448	GGGGSTEE 	C25H40N8O15	692.2614	NA	PeJP	NA	NA
+PJ017449	SSTMMH 	C26H44N8O10S2	692.2622	NA	PeJP	NA	NA
+PJ017450	GNNDHH 	C26H36N12O11	692.2627	NA	PeJP	NA	NA
+PJ017451	CNFFY 	C34H40N6O8S	692.2629	NA	PeJP	NA	NA
+PJ017452	SSSSYY 	C30H40N6O13	692.2653	NA	PeJP	NA	NA
+PJ017453	TEEEW 	C30H40N6O13	692.2654	NA	PeJP	NA	NA
+PJ017454	PEMMW 	C31H44N6O8S2	692.2662	NA	PeJP	NA	NA
+MJ090727	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Benzoyl, 9-(2-hydroxy-2-methylpropanoyl), 2,6,8,14-tetra-Ac 	C34H44O15	692.26802	NA	MeJP	NA	NA
+PJ017455	GVEEEM 	C27H44N6O13S	692.2687	NA	PeJP	NA	NA
+PJ017456	SPPMMM 	C28H48N6O8S3	692.2696	NA	PeJP	NA	NA
+PJ017457	CNDRW 	C28H40N10O9S	692.2701	NA	PeJP	NA	NA
+MJ090728	Maytanbutacine 	C34H45ClN2O11	692.271187	NA	MeJP	NA	NA
+PJ017458	SSNDDR 	C24H40N10O14	692.2726	NA	PeJP	NA	NA
+MJ090729	Oxothalicarpine 	C40H40N2O9	692.27338	NA	MeJP	NA	NA
+MJ090730	Vilaportine 	C40H40N2O9	692.27338	NA	MeJP	NA	NA
+PJ017459	SPCCQR 	C25H44N10O9S2	692.2734	NA	PeJP	NA	NA
+PJ017460	GNMWW 	C33H40N8O7S	692.2741	NA	PeJP	NA	NA
+PJ017461	GSSQEW 	C29H40N8O12	692.2766	NA	PeJP	NA	NA
+PJ017462	GPCCKW 	C30H44N8O7S2	692.2775	NA	PeJP	NA	NA
+PJ017463	EEEMR 	C26H44N8O12S	692.28	NA	PeJP	NA	NA
+PJ017464	PDEFW 	C34H40N6O10	692.2806	NA	PeJP	NA	NA
+MJ090731	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-tigloyl, 6,14-di-Ac 	C38H44O12	692.283276	NA	MeJP	NA	NA
+MJ090732	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9-Dibenzoyl, 4,7-di-Ac 	C38H44O12	692.283276	NA	MeJP	NA	NA
+MJ090733	15(13?12)-Abeo-1,2,3,7,8,11,13-heptahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,7-di-Ac 	C38H44O12	692.283276	NA	MeJP	NA	NA
+MJ090734	15(13?12)-Abeo-1,2,3,7,8,11,13-heptahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 3,7-di-Ac 	C38H44O12	692.283276	NA	MeJP	NA	NA
+MJ090735	Torreyanic acid 	C38H44O12	692.283276	NA	MeJP	NA	NA
+PJ017465	VEEMW 	C31H44N6O10S	692.284	NA	PeJP	NA	NA
+PJ017466	SSLEEE 	C27H44N6O15	692.2865	NA	PeJP	NA	NA
+PJ017467	SPVEMM 	C28H48N6O10S2	692.2874	NA	PeJP	NA	NA
+PJ017468	GNNNQF 	C28H40N10O11	692.2878	NA	PeJP	NA	NA
+PJ017469	GGGGGGGQF 	C28H40N10O11	692.2879	NA	PeJP	NA	NA
+PJ017470	CMHFR 	C29H44N10O6S2	692.2887	NA	PeJP	NA	NA
+PJ017471	GSNEMR 	C25H44N10O11S	692.2912	NA	PeJP	NA	NA
+PJ017472	SSQWW 	C33H40N8O9	692.2918	NA	PeJP	NA	NA
+PJ017473	GGSTWW 	C33H40N8O9	692.2919	NA	PeJP	NA	NA
+PJ017474	NDKMW 	C30H44N8O9S	692.2952	NA	PeJP	NA	NA
+PJ017475	SSNKEE 	C26H44N8O14	692.2977	NA	PeJP	NA	NA
+PJ017476	GVQQMM 	C27H48N8O9S2	692.2986	NA	PeJP	NA	NA
+PJ017477	DEHHR 	C27H40N12O10	692.2991	NA	PeJP	NA	NA
+PJ017478	PPMYW 	C35H44N6O7S	692.2992	NA	PeJP	NA	NA
+PJ017479	SPPTEY 	C31H44N6O12	692.3017	NA	PeJP	NA	NA
+PJ017480	GPVEEY 	C31H44N6O12	692.3018	NA	PeJP	NA	NA
+PJ017481	GSCDRR 	C24H44N12O10S	692.3024	NA	PeJP	NA	NA
+PJ017482	APPMMF 	C32H48N6O7S2	692.3026	NA	PeJP	NA	NA
+PJ017483	VDHHW 	C32H40N10O8	692.3031	NA	PeJP	NA	NA
+MJ090736	1,15-Dihydroxy-11(13)-eudesmen-12,6-olide, 1-[2-(2-Hydroxy-3-methylbutanoyloxy)-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside 	C35H48O14	692.304406	NA	MeJP	NA	NA
+MJ090737	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-(2-Methylbutanoyl), 2,3,5,7,15-penta-Ac 	C35H48O14	692.304406	NA	MeJP	NA	NA
+MJ090738	Euphorbia substance SPr5; 8-Debenzoyl, 8-(2-methylpropanoyl) 	C35H48O14	692.304406	NA	MeJP	NA	NA
+MJ090739	Gomphoside; 3'-Epimer, 19-oxo, 5,6-didehydro, 3'-O-?-D-glucopyranoside 	C35H48O14	692.304406	NA	MeJP	NA	NA
+MJ090740	Javanicinoside F; 2-De-Ac, 2-Me ether 	C35H48O14	692.304406	NA	MeJP	NA	NA
+PJ017484	ATLEEM 	C28H48N6O12S	692.3051	NA	PeJP	NA	NA
+PJ017485	APLMMM 	C29H52N6O7S3	692.306	NA	PeJP	NA	NA
+PJ017486	SNMRW 	C29H44N10O8S	692.3064	NA	PeJP	NA	NA
+PJ017487	GGSMRW 	C29H44N10O8S	692.3065	NA	PeJP	NA	NA
+PJ017488	GHFFW 	C37H40N8O6	692.3071	NA	PeJP	NA	NA
+PJ017489	SSSQER 	C25H44N10O13	692.309	NA	PeJP	NA	NA
+PJ017490	QQMMR 	C26H48N10O8S2	692.3098	NA	PeJP	NA	NA
+PJ017491	ACKWW 	C34H44N8O6S	692.3105	NA	PeJP	NA	NA
+MJ090741	Ditryptophenaline 	C42H40N6O4	692.311103	NA	MeJP	NA	NA
+PJ017492	GSSKEW 	C30H44N8O11	692.313	NA	PeJP	NA	NA
+PJ017493	KMMHF 	C31H48N8O6S2	692.3138	NA	PeJP	NA	NA
+PJ017494	SVNDKM 	C27H48N8O11S	692.3163	NA	PeJP	NA	NA
+PJ017495	GTQKEM 	C27H48N8O11S	692.3164	NA	PeJP	NA	NA
+PJ017496	PVEYW 	C35H44N6O9	692.317	NA	PeJP	NA	NA
+PJ017497	SPPVMY 	C32H48N6O9S	692.3204	NA	PeJP	NA	NA
+PJ017498	CQMRR 	C25H48N12O7S2	692.3211	NA	PeJP	NA	NA
+PJ017499	TTTLEE 	C28H48N6O14	692.3229	NA	PeJP	NA	NA
+PJ017500	PTTLMM 	C29H52N6O9S2	692.3237	NA	PeJP	NA	NA
+PJ017501	GLLEMM 	C29H52N6O9S2	692.3238	NA	PeJP	NA	NA
+PJ017502	GSSTRW 	C29H44N10O10	692.3242	NA	PeJP	NA	NA
+MJ090742	Rishitin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C32H52O16	692.325535	NA	MeJP	NA	NA
+3348	ACE inhibitor	IWHHT	692.326	celiac toxic	Inhouse_peptide	NA	peptide
+MJ090743	Orthoesterol A; 24,28-Dihydro, disulfate 	C33H56O11S2	692.326404	NA	MeJP	NA	NA
+PJ017503	GSDKMR 	C26H48N10O10S	692.3276	NA	PeJP	NA	NA
+PJ017504	SSKWW 	C34H44N8O8	692.3282	NA	PeJP	NA	NA
+PJ017505	GGGGLFW 	C34H44N8O8	692.3283	NA	PeJP	NA	NA
+PJ017506	TQKMW 	C31H48N8O8S	692.3316	NA	PeJP	NA	NA
+PJ017507	PPFFW 	C39H44N6O6	692.3323	NA	PeJP	NA	NA
+PJ017508	SSDKKE 	C27H48N8O13	692.3341	NA	PeJP	NA	NA
+PJ017509	GVQKMM 	C28H52N8O8S2	692.335	NA	PeJP	NA	NA
+PJ017510	GSQKHH 	C28H44N12O9	692.3355	NA	PeJP	NA	NA
+PJ017511	PLMFW 	C36H48N6O6S	692.3356	NA	PeJP	NA	NA
+PJ017512	APTLEY 	C32H48N6O11	692.3381	NA	PeJP	NA	NA
+MJ090744	Bastaxanthol; 3-O-Sulfate 	C40H52O8S	692.338289	NA	MeJP	NA	NA
+PJ017513	GSSMRR 	C25H48N12O9S	692.3388	NA	PeJP	NA	NA
+PJ017514	LLMMW 	C33H52N6O6S2	692.339	NA	PeJP	NA	NA
+PJ017515	GQFRW 	C33H44N10O7	692.3395	NA	PeJP	NA	NA
+MJ090745	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C36H52O13	692.340791	NA	MeJP	NA	NA
+MJ090746	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C36H52O13	692.340791	NA	MeJP	NA	NA
+MJ090747	Carolinoside 	C36H52O13	692.340791	NA	MeJP	NA	NA
+C08879	Scillaren A	C36H52O13	692.3408	NA	KEGG	NA	NA
+PJ017516	STLLEM 	C29H52N6O11S	692.3415	NA	PeJP	NA	NA
+PJ017517	TCKRW 	C30H48N10O7S	692.3428	NA	PeJP	NA	NA
+PJ017518	GVLMHH 	C30H48N10O7S	692.3429	NA	PeJP	NA	NA
+MJ090748	Cholestane-3,6,16,20-tetrol, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C33H56O13S	692.344162	NA	MeJP	NA	NA
+PJ017519	SSSKER 	C26H48N10O12	692.3453	NA	PeJP	NA	NA
+PJ017520	QKMMR 	C27H52N10O7S2	692.3462	NA	PeJP	NA	NA
+PJ017521	GTTTKW 	C31H48N8O10	692.3494	NA	PeJP	NA	NA
+PJ017522	PHHFR 	C32H44N12O6	692.3507	NA	PeJP	NA	NA
+PJ017523	GTKKEM 	C28H52N8O10S	692.3527	NA	PeJP	NA	NA
+MJ090749	Antibiotic A 54556; Antibiotic A 54556C 	C36H48N6O8	692.353362	NA	MeJP	NA	NA
+PJ017524	VLEFW 	C36H48N6O8	692.3534	NA	PeJP	NA	NA
+PJ017525	LMHHR 	C29H48N12O6S	692.3541	NA	PeJP	NA	NA
+PJ017526	SSSTRR 	C25H48N12O11	692.3566	NA	PeJP	NA	NA
+PJ017527	GPLLMY 	C33H52N6O8S	692.3568	NA	PeJP	NA	NA
+MJ090750	Ceylanicine 	C41H48N4O6	692.357385	NA	MeJP	NA	NA
+PJ017528	CKMRR 	C26H52N12O6S2	692.3575	NA	PeJP	NA	NA
+PJ017529	SVLLMM 	C30H56N6O8S2	692.3601	NA	PeJP	NA	NA
+PJ017530	VQQRY 	C30H48N10O9	692.3606	NA	PeJP	NA	NA
+MJ090751	Bismahanine 	C46H48N2O4	692.361408	NA	MeJP	NA	NA
+PJ017531	GTTKMR 	C27H52N10O9S	692.364	NA	PeJP	NA	NA
+PJ017532	VNKFW 	C35H48N8O7	692.3646	NA	PeJP	NA	NA
+PJ017533	TKKMW 	C32H52N8O7S	692.368	NA	PeJP	NA	NA
+3783	NA	HCQRPR	692.37	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ017534	STTKKE 	C28H52N8O12	692.3705	NA	PeJP	NA	NA
+PJ017535	GVKKMM 	C29H56N8O7S2	692.3714	NA	PeJP	NA	NA
+PJ017536	AQRRY 	C29H48N12O8	692.3718	NA	PeJP	NA	NA
+PJ017537	GGGPLHR 	C29H48N12O8	692.3719	NA	PeJP	NA	NA
+PJ017538	GVLLEY 	C33H52N6O10	692.3745	NA	PeJP	NA	NA
+PJ017539	GKFRW 	C34H48N10O6	692.3759	NA	PeJP	NA	NA
+MJ090752	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 30-Me ester 	C37H56O12	692.377177	NA	MeJP	NA	NA
+MJ090753	Antibiotic PD 118576A1 	C37H56O12	692.377177	NA	MeJP	NA	NA
+MJ090754	Antibiotic PD 118576A2 	C37H56O12	692.377177	NA	MeJP	NA	NA
+MJ090755	VE1 	C37H56O12	692.377177	NA	MeJP	NA	NA
+MJ090756	Cholestane-3,6,8,15,16-pentol, 3-O-[2,4-Di-O-methyl-?-D-xylopyranoside], 15-sulfate 	C34H60O12S	692.380548	NA	MeJP	NA	NA
+PJ017540	STTTKR 	C27H52N10O11	692.3817	NA	PeJP	NA	NA
+PJ017541	KKMMR 	C28H56N10O6S2	692.3826	NA	PeJP	NA	NA
+PJ017542	PQHRR 	C28H48N14O7	692.3831	NA	PeJP	NA	NA
+PJ017543	LLERY 	C32H52N8O9	692.3857	NA	PeJP	NA	NA
+PJ017544	GPTKKY 	C32H52N8O9	692.3858	NA	PeJP	NA	NA
+PJ017545	SSLKKM 	C29H56N8O9S	692.3891	NA	PeJP	NA	NA
+PJ017546	VLLYW 	C37H52N6O7	692.3898	NA	PeJP	NA	NA
+MJ090757	Melianin A; 23-Ketone 	C41H56O9	692.392433	NA	MeJP	NA	NA
+PJ017547	GLLLMF 	C34H56N6O7S	692.3932	NA	PeJP	NA	NA
+PJ017548	VQKRY 	C31H52N10O8	692.397	NA	PeJP	NA	NA
+PJ017549	AKRRY 	C30H52N12O7	692.4082	NA	PeJP	NA	NA
+PJ017550	ATLLLY 	C34H56N6O9	692.4109	NA	PeJP	NA	NA
+MJ090758	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 25-Me ether, 24-Ac, 3-O-?-D-xylopyranoside 	C38H60O11	692.413562	NA	MeJP	NA	NA
+MJ090759	2,3,16,25-Tetrahydroxy-5,23-cucurbitadien-22-one, 2-O-?-D-Glucopyranoside, 25-Ac 	C38H60O11	692.413562	NA	MeJP	NA	NA
+MJ090760	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-(carboxymethyl) ester 	C38H60O11	692.413562	NA	MeJP	NA	NA
+MJ090761	Antibiotic WF 11605 	C38H60O11	692.413562	NA	MeJP	NA	NA
+MJ090762	Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, 3-Ac 	C38H60O11	692.413562	NA	MeJP	NA	NA
+PJ017551	PKHRR 	C29H52N14O6	692.4195	NA	PeJP	NA	NA
+PJ017552	AALKKY 	C33H56N8O8	692.4221	NA	PeJP	NA	NA
+PJ017553	AAPPPLK 	C33H56N8O8	692.4222	NA	PeJP	NA	NA
+PJ017554	VKKRY 	C32H56N10O7	692.4334	NA	PeJP	NA	NA
+MJ090763	Iejimalide B 	C41H60N2O7	692.440052	NA	MeJP	NA	NA
+MJ090764	Concanamycin A; 23-O-Deglycosyl 	C39H64O10	692.449948	NA	MeJP	NA	NA
+PJ017555	VVLLLH 	C34H60N8O7	692.4585	NA	PeJP	NA	NA
+MJ090765	Stigmast-5-en-3-ol, O-[?-Rhamnopyranosyl-(1?5)-?-L-arabinofuranoside] 	C40H68O9	692.486333	NA	MeJP	NA	NA
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR535	12 :0 SM F2	NA	692.507125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR535	12 :0 SM F2	NA	692.507125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR535	12 :0 SM F2	NA	692.507125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR535	12 :0 SM F2	NA	692.507125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR535	12 :0 SM F2	F2	692.507125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR1037	d18:1-12:0 SM [M+FA-H]-	C35H71N2O6P	692.509856	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1037	d18:1-12:0 SM [M+FA-H]-	C35H71N2O6P	692.509856	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1037	d18:1-12:0 SM [M+FA-H]-	C35H71N2O6P	692.509856	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1037	d18:1-12:0 SM [M+FA-H]-	C35H71N2O6P	692.509856	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07440	DG(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07467	DG(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07468	DG(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07496	DG(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07497	DG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07524	DG(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07553	DG(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07692	DG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07693	DG(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07719	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07720	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07748	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07749	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+HMDB07776	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)	C45H72O5	692.537964	NA	HMDB2010	NA	NA
+MJ090766	Variabilin, 18-(2,11-Dimethyloctadecanoyl) 	C45H72O5	692.537975	NA	MeJP	NA	NA
+MJ090767	Glycerol trialkanoates (triacid); Glycerol 1-(9Z-octadecenoate) 2-octanoate 3-tetradecanoate 	C43H80O6	692.59549	NA	MeJP	NA	NA
+MJ090768	Stigmast-5-ene-3,7-diol, 7-Ketone, 3-(9Z-octadecenoyl) 	C47H80O3	692.610746	NA	MeJP	NA	NA
+MJ090769	12-Oleanen-3-ol, O-Octadecanoyl 	C48H84O2	692.647131	NA	MeJP	NA	NA
+MJ090770	12-Ursen-3-ol, Octadecanoyl 	C48H84O2	692.647131	NA	MeJP	NA	NA
+MJ090771	20(29)-Lupen-3-ol, Octadecanoyl 	C48H84O2	692.647131	NA	MeJP	NA	NA
+MJ090772	Lanost-8-en-3-ol, 9Z-Octadecenoyl 	C48H84O2	692.647131	NA	MeJP	NA	NA
+PJ017556	GCCCCCC 	C20H35N7O8S6	693.0872	NA	PeJP	NA	NA
+FL7AAAGL0053	3,5-di-O-(beta-Glucopyranosyl) pelargonidin 6''-O-4, 6'''-O-1-cyclic malate	C31H33O18	693.16668	-	knapsack	NA	NA
+PJ017557	CCCNDH 	C23H35N9O10S3	693.1669	NA	PeJP	NA	NA
+PJ017558	GPPCCCD 	C25H39N7O10S3	693.1921	NA	PeJP	NA	NA
+PJ017559	CNNNDD 	C23H35N9O14S	693.2024	NA	PeJP	NA	NA
+PJ017560	GGCNNDD 	C23H35N9O14S	693.2025	NA	PeJP	NA	NA
+PJ017561	SCCNMH 	C24H39N9O9S3	693.2033	NA	PeJP	NA	NA
+FL2F1AGSN001	Licorice glycoside E	C35H35NO14	693.20575	202657-66-7	knapsack	NA	NA
+MJ090773	4',7-Dihydroxyflavanone, 4'-O-[1H-Indole-3-ylcarbonyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C35H35NO14	693.205754	NA	MeJP	NA	NA
+PJ017562	SNDDDE 	C24H35N7O17	693.209	NA	PeJP	NA	NA
+PJ017563	PCNDDM 	C25H39N7O12S2	693.2098	NA	PeJP	NA	NA
+PJ017564	GGPCDDM 	C25H39N7O12S2	693.2099	NA	PeJP	NA	NA
+PJ017565	CDMYY 	C30H39N5O10S2	693.2139	NA	PeJP	NA	NA
+PJ017566	GSSTCCH 	C24H39N9O11S2	693.2211	NA	PeJP	NA	NA
+PJ017567	GSDDDW 	C28H35N7O14	693.2242	NA	PeJP	NA	NA
+PJ017568	GPCCEW 	C29H39N7O9S2	693.2251	NA	PeJP	NA	NA
+MJ090774	Mayotamide A 	C30H43N7O4S4	693.225935	NA	MeJP	NA	NA
+PJ017569	GNDEEM 	C25H39N7O14S	693.2276	NA	PeJP	NA	NA
+PJ017570	GSPPCCM 	C26H43N7O9S3	693.2285	NA	PeJP	NA	NA
+PJ017571	CMMFY 	C31H43N5O7S3	693.2325	NA	PeJP	NA	NA
+MetaCyc04059	&beta;-D-Gal-(1->3)-&beta;-D-GlcNAc-(1->3)-&beta;-D-Gal-(1->4)-D-Glc []	C25H43N1O21	693.232757	NA	metacyc	NA	NA
+PJ017572	GCCQHF 	C28H39N9O8S2	693.2363	NA	PeJP	NA	NA
+PJ017573	GCDDER 	C24H39N9O13S	693.2388	NA	PeJP	NA	NA
+PJ017574	GGGGGGSDM 	C24H39N9O13S	693.2389	NA	PeJP	NA	NA
+PJ017575	TCCCKH 	C25H43N9O8S3	693.2397	NA	PeJP	NA	NA
+PJ017576	PCCWW 	C33H39N7O6S2	693.2403	NA	PeJP	NA	NA
+PJ017577	NDEMW 	C29H39N7O11S	693.2428	NA	PeJP	NA	NA
+PJ017578	GGDEMW 	C29H39N7O11S	693.2429	NA	PeJP	NA	NA
+PJ017579	SSSSPDD 	C25H39N7O16	693.2453	NA	PeJP	NA	NA
+PJ017580	SSNEEE 	C25H39N7O16	693.2454	NA	PeJP	NA	NA
+PJ017581	SPNDMM 	C26H43N7O11S2	693.2462	NA	PeJP	NA	NA
+PJ017582	GNDDHH 	C26H35N11O12	693.2467	NA	PeJP	NA	NA
+PJ017583	CDFFY 	C34H39N5O9S	693.2469	NA	PeJP	NA	NA
+PJ017584	SMMYY 	C31H43N5O9S2	693.2502	NA	PeJP	NA	NA
+PJ017585	CDDRW 	C28H39N9O10S	693.2541	NA	PeJP	NA	NA
+PJ017586	SSDDDR 	C24H39N9O15	693.2566	NA	PeJP	NA	NA
+PJ017587	SPCCER 	C25H43N9O10S2	693.2575	NA	PeJP	NA	NA
+PJ017588	GDMWW 	C33H39N7O8S	693.2581	NA	PeJP	NA	NA
+PJ017589	GSSEEW 	C29H39N7O13	693.2606	NA	PeJP	NA	NA
+PJ017590	GPTCMW 	C30H43N7O8S2	693.2615	NA	PeJP	NA	NA
+PJ017591	GTQEEM 	C26H43N7O13S	693.264	NA	PeJP	NA	NA
+PJ017592	GEYYY 	C34H39N5O11	693.2646	NA	PeJP	NA	NA
+PJ017593	GPQMMM 	C27H47N7O8S3	693.2649	NA	PeJP	NA	NA
+PJ017594	SPCNHH 	C27H39N11O9S	693.2653	NA	PeJP	NA	NA
+PJ017595	CMFFF 	C35H43N5O6S2	693.2655	NA	PeJP	NA	NA
+PJ017596	GCNNMR 	C24H43N11O9S2	693.2687	NA	PeJP	NA	NA
+PJ017597	SSSNNW 	C28H39N9O12	693.2718	NA	PeJP	NA	NA
+PJ017598	GGGGSSSW 	C28H39N9O12	693.2719	NA	PeJP	NA	NA
+PJ017599	GCCKHF 	C29H43N9O7S2	693.2727	NA	PeJP	NA	NA
+PJ017600	GSDEMR 	C25H43N9O12S	693.2752	NA	PeJP	NA	NA
+PJ017601	SSEWW 	C33H39N7O10	693.2759	NA	PeJP	NA	NA
+PJ017602	GPCMMR 	C26H47N9O7S3	693.2761	NA	PeJP	NA	NA
+MJ090775	Cyclodidemnamide 	C34H43N7O5S2	693.276708	NA	MeJP	NA	NA
+MJ090776	Altromycin H; N-Me 	C37H43NO12	693.278525	NA	MeJP	NA	NA
+PJ017603	TQEMW 	C30H43N7O10S	693.2792	NA	PeJP	NA	NA
+PJ017604	GGPVCDF 	C30H43N7O10S	693.2793	NA	PeJP	NA	NA
+PJ017605	YYYW 	C38H39N5O8	693.2799	NA	PeJP	NA	NA
+PJ017606	SSDKEE 	C26H43N7O15	693.2817	NA	PeJP	NA	NA
+PJ017607	GVQEMM 	C27H47N7O10S2	693.2826	NA	PeJP	NA	NA
+PJ017608	GSQEHH 	C27H39N11O11	693.2831	NA	PeJP	NA	NA
+PJ017609	AMFYY 	C35H43N5O8S	693.2832	NA	PeJP	NA	NA
+PJ017610	SSCNQR 	C24H43N11O11S	693.2864	NA	PeJP	NA	NA
+PJ017611	GGGGSTCR 	C24H43N11O11S	693.2865	NA	PeJP	NA	NA
+PJ017612	NNNFW 	C32H39N9O9	693.2871	NA	PeJP	NA	NA
+PJ017613	SDMRW 	C29H43N9O9S	693.2905	NA	PeJP	NA	NA
+PJ017614	SSSEER 	C25H43N9O14	693.293	NA	PeJP	NA	NA
+PJ017615	QEMMR 	C26H47N9O9S2	693.2938	NA	PeJP	NA	NA
+PJ017616	GAEMMR 	C26H47N9O9S2	693.2939	NA	PeJP	NA	NA
+PJ017617	ATMWW 	C34H43N7O7S	693.2945	NA	PeJP	NA	NA
+PJ017618	GTTTEW 	C30H43N7O12	693.297	NA	PeJP	NA	NA
+PJ017619	VQMMW 	C31H47N7O7S2	693.2979	NA	PeJP	NA	NA
+PJ017620	SQHHW 	C31H39N11O8	693.2983	NA	PeJP	NA	NA
+3081	hemorphin-5	YPWTQ	693.299	celiac toxic	Inhouse_peptide	NA	peptide
+PJ017621	GTKEEM 	C27H47N7O12S	693.3004	NA	PeJP	NA	NA
+MJ090777	Amonabactin P 693 	C35H43N5O10	693.300992	NA	MeJP	NA	NA
+PJ017622	SVYYY 	C35H43N5O10	693.301	NA	PeJP	NA	NA
+PJ017623	GPKMMM 	C28H51N7O7S3	693.3012	NA	PeJP	NA	NA
+PJ017624	AAQMHH 	C28H43N11O8S	693.3017	NA	PeJP	NA	NA
+PJ017625	GSSSSNR 	C24H43N11O13	693.3042	NA	PeJP	NA	NA
+PJ017626	CEMRR 	C25H47N11O8S2	693.3051	NA	PeJP	NA	NA
+PJ017627	GSPDRY 	C29H43N9O11	693.3082	NA	PeJP	NA	NA
+PJ017628	GGGGGGGLY 	C29H43N9O11	693.3083	NA	PeJP	NA	NA
+PJ017629	AMMRW 	C30H47N9O6S2	693.3091	NA	PeJP	NA	NA
+PJ017630	GTTEMR 	C26H47N9O11S	693.3116	NA	PeJP	NA	NA
+PJ017631	TTTWW 	C34H43N7O9	693.3122	NA	PeJP	NA	NA
+PJ017632	GAPTYW 	C34H43N7O9	693.3123	NA	PeJP	NA	NA
+PJ017633	NMHHR 	C27H43N13O7S	693.3129	NA	PeJP	NA	NA
+PJ017634	GGMHHR 	C27H43N13O7S	693.313	NA	PeJP	NA	NA
+PJ017635	TKEMW 	C31H47N7O9S	693.3156	NA	PeJP	NA	NA
+PJ017636	AFFFY 	C39H43N5O7	693.3163	NA	PeJP	NA	NA
+PJ017637	STTKEE 	C27H47N7O14	693.3181	NA	PeJP	NA	NA
+PJ017638	GVKEMM 	C28H51N7O9S2	693.319	NA	PeJP	NA	NA
+PJ017639	NNQRY 	C28H43N11O10	693.3195	NA	PeJP	NA	NA
+PJ017640	SSCNKR 	C25H47N11O10S	693.3228	NA	PeJP	NA	NA
+PJ017641	GEFRW 	C33H43N9O8	693.3235	NA	PeJP	NA	NA
+PJ017642	TTMRW 	C30H47N9O8S	693.3268	NA	PeJP	NA	NA
+PJ017643	GAPMRY 	C30H47N9O8S	693.3269	NA	PeJP	NA	NA
+PJ017644	GVFWW 	C38H43N7O6	693.3275	NA	PeJP	NA	NA
+PJ017645	ASSSSQK 	C26H47N9O13	693.3293	NA	PeJP	NA	NA
+PJ017646	STTTER 	C26H47N9O13	693.3294	NA	PeJP	NA	NA
+PJ017647	KEMMR 	C27H51N9O8S2	693.3302	NA	PeJP	NA	NA
+PJ017648	GSTHHR 	C27H43N13O9	693.3307	NA	PeJP	NA	NA
+PJ017649	LMHFF 	C35H47N7O6S	693.3309	NA	PeJP	NA	NA
+7627	ACE inhibitor from k-CN (fr, 13-17)	KDERF	693.3319	antioxidative	Inhouse_peptide	NA	peptide
+PJ017650	SSTTLW 	C31H47N7O11	693.3334	NA	PeJP	NA	NA
+PJ017651	VKMMW 	C32H51N7O6S2	693.3342	NA	PeJP	NA	NA
+PJ017652	SKHHW 	C32H43N11O7	693.3347	NA	PeJP	NA	NA
+PJ017653	TTTLQM 	C28H51N7O11S	693.3367	NA	PeJP	NA	NA
+PJ017654	SSLKEM 	C28H51N7O11S	693.3368	NA	PeJP	NA	NA
+PJ017655	PCRRY 	C29H47N11O7S	693.3381	NA	PeJP	NA	NA
+3337	human beta-casein fr, 50-61	HPFAQTQSLVYP	693.3385	MH2+	Inhouse_peptide	NA	peptide
+PJ017656	FRWW 	C37H43N9O5	693.3387	NA	PeJP	NA	NA
+PJ017657	TMMRR 	C26H51N11O7S2	693.3415	NA	PeJP	NA	NA
+PJ017658	VQERY 	C30H47N9O10	693.3446	NA	PeJP	NA	NA
+PJ017659	SSTLMR 	C27H51N9O10S	693.348	NA	PeJP	NA	NA
+PJ017660	PTKYW 	C35H47N7O8	693.3486	NA	PeJP	NA	NA
+MJ090778	Podacycline B 	C35H47N7O8	693.348611	NA	MeJP	NA	NA
+PJ017661	GPVKMY 	C32H51N7O8S	693.352	NA	PeJP	NA	NA
+PJ017662	SSSSTLL 	C28H51N7O13	693.3545	NA	PeJP	NA	NA
+PJ017663	ATLKMM 	C29H55N7O8S2	693.3554	NA	PeJP	NA	NA
+PJ017664	AERRY 	C29H47N11O9	693.3558	NA	PeJP	NA	NA
+PJ017665	GGNKRY 	C29H47N11O9	693.3559	NA	PeJP	NA	NA
+PJ017666	GLRYW 	C34H47N9O7	693.3599	NA	PeJP	NA	NA
+PJ017667	PKMRY 	C31H51N9O7S	693.3632	NA	PeJP	NA	NA
+PJ017668	GALMFR 	C31H51N9O7S	693.3633	NA	PeJP	NA	NA
+PJ017669	GSSSTKK 	C27H51N9O12	693.3657	NA	PeJP	NA	NA
+PJ017670	GCKKKM 	C28H55N9O7S2	693.3666	NA	PeJP	NA	NA
+PJ017671	PEHRR 	C28H47N13O8	693.3671	NA	PeJP	NA	NA
+3095	splenin fragment:32-36	RKEVY	693.368	celiac toxic	Inhouse_peptide	NA	peptide
+PJ017672	AALKEY 	C32H51N7O10	693.3698	NA	PeJP	NA	NA
+PJ017673	PVHRW 	C33H47N11O6	693.3711	NA	PeJP	NA	NA
+PJ017674	TTTLKM 	C29H55N7O10S	693.3731	NA	PeJP	NA	NA
+PJ017675	CLFRR 	C30H51N11O6S	693.3745	NA	PeJP	NA	NA
+MJ090779	Splenopentin 	C31H51N9O9	693.380974	NA	MeJP	NA	NA
+PJ017676	VKERY 	C31H51N9O9	693.381	NA	PeJP	NA	NA
+PJ017677	STCKKK 	C28H55N9O9S	693.3844	NA	PeJP	NA	NA
+PJ017678	VVKYW 	C36H51N7O7	693.385	NA	PeJP	NA	NA
+PJ017679	GVLKMF 	C33H55N7O7S	693.3884	NA	PeJP	NA	NA
+PJ017680	SLRRY 	C30H51N11O8	693.3922	NA	PeJP	NA	NA
+PJ017681	GGAPKKH 	C30H51N11O8	693.3923	NA	PeJP	NA	NA
+PJ017682	PKFFR 	C35H51N9O6	693.3963	NA	PeJP	NA	NA
+PJ017683	LKMFR 	C32H55N9O6S	693.3996	NA	PeJP	NA	NA
+PJ017684	ASLLKY 	C33H55N7O9	693.4061	NA	PeJP	NA	NA
+PJ017685	GTLLKY 	C33H55N7O9	693.4062	NA	PeJP	NA	NA
+MJ090780	Germine; O3-(2-Hydroxy-2-methylbutanoyl), O15-(2-methylbutanoyl) 	C37H59NO11	693.408811	NA	MeJP	NA	NA
+MJ090781	Germine; O3-(R)-2-Hydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl 	C37H59NO11	693.408811	NA	MeJP	NA	NA
+PJ017686	QKKKY 	C32H55N9O8	693.4174	NA	PeJP	NA	NA
+MJ090782	Roxolonium(1+); Methylsulfate 	C38H63NO8S	693.427438	NA	MeJP	NA	NA
+PJ017687	GVLLHR 	C31H55N11O7	693.4286	NA	PeJP	NA	NA
+PJ017688	LLHRR 	C30H55N13O6	693.4399	NA	PeJP	NA	NA
+PJ017689	AAPPLLL 	C34H59N7O8	693.4425	NA	PeJP	NA	NA
+PJ017690	GPPVVLL 	C34H59N7O8	693.4426	NA	PeJP	NA	NA
+MJ090783	Lanost-8-ene-2,3,12,24,25-pentol, 2-[5-(Carboxymethylamino)-3-hydroxy-3-methyl-5-oxopentanoyl](S-) 	C38H63NO10	693.445197	NA	MeJP	NA	NA
+MJ090784	Solacongestidine; Glycoside (3) 	C38H63NO10	693.445197	NA	MeJP	NA	NA
+PJ017691	KKKKY 	C33H59N9O7	693.4538	NA	PeJP	NA	NA
+MJ090785	Spirolide B 	C42H63NO7	693.460453	NA	MeJP	NA	NA
+3227	Bradykinin-potentiating peptide	EGGWPRPGPEIPP	693.8355	MH2+	Inhouse_peptide	NA	peptide
+7019	synthetic peptide from alpha-gliadin	LQQHNIAHGRSQ	693.84595	MH2+	Inhouse_peptide	NA	peptide
+3194	crabolin-like from skin of frog Rana esculenta	FLPAIAGILSQLF~	693.9045	MH2+	Inhouse_peptide	NA	peptide
+MJ090786	Pisoquinone 	C35H18O16	694.059484	NA	MeJP	NA	NA
+MJ090787	Guavin B 	C33H26O17	694.116999	NA	MeJP	NA	NA
+MJ090788	Swertipunicoside 	C33H26O17	694.116999	NA	MeJP	NA	NA
+FL3FAAGS0055	Apigenin 7-glucuronide-4'-(6''-malonylglucoside)	C30H30O19	694.13812	89483-03-4	knapsack	NA	NA
+MJ090789	4',5,7-Trihydroxyflavone; 4'-O-(6-O-Malonyl-?-D-glucopyranoside), 7-O-?-D-glucuronoside 	C30H30O19	694.138128	NA	MeJP	NA	NA
+PJ017692	CCCDDH 	C23H34N8O11S3	694.151	NA	PeJP	NA	NA
+PJ017693	TCCCCY 	C25H38N6O9S4	694.1583	NA	PeJP	NA	NA
+FL3FFAGS0006	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)	C31H34O18	694.17451	108706-08-7	knapsack	NA	NA
+FL5FACGS0110	Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside	C31H34O18	694.17451	-	knapsack	NA	NA
+MJ090790	4',5,7,8-Tetrahydroxyflavone; 4'-O-[?-D-Mannopyranosyl-(1?2)-3,4-di-O-acetyl-?-D-glucopyranoside] 	C31H34O18	694.174514	NA	MeJP	NA	NA
+MJ090791	4',5,7,8-Tetrahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C31H34O18	694.174514	NA	MeJP	NA	NA
+MJ090792	Isoquercitrin; 6''-O-(3,4-Di-O-acetyl-?-L-rhamnopyranosyl) 	C31H34O18	694.174514	NA	MeJP	NA	NA
+MJ090793	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Bis-O-(6-O-acetyl-?-D-glucopyranoside) 	C31H35O18(+)	694.174514	NA	MeJP	NA	NA
+MJ090794	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Succinoyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C31H35O18(+)	694.174514	NA	MeJP	NA	NA
+PJ017694	CNNDDD 	C23H34N8O15S	694.1865	NA	PeJP	NA	NA
+PJ017695	SCCDMH 	C24H38N8O10S3	694.1873	NA	PeJP	NA	NA
+PJ017696	GCCCFY 	C29H38N6O8S3	694.1914	NA	PeJP	NA	NA
+PJ017697	SDDDDE 	C24H34N6O18	694.193	NA	PeJP	NA	NA
+PJ017698	PCDDDM 	C25H38N6O13S2	694.1939	NA	PeJP	NA	NA
+C06785	Dexylosylpradimicin C	C34H34N2O14	694.201	NA	KEGG	NA	NA
+MJ090795	Benanomicin B; 3A-De-O-xylosyl 	C34H34N2O14	694.201003	NA	MeJP	NA	NA
+PJ017699	GSPCCND 	C24H38N8O12S2	694.2051	NA	PeJP	NA	NA
+PJ017700	ACCMMH 	C25H42N8O7S4	694.206	NA	PeJP	NA	NA
+PJ017701	GSCCYY 	C29H38N6O10S2	694.2091	NA	PeJP	NA	NA
+FL3FEAGS0038	Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside;5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C32H38O17	694.21089	158556-64-0	knapsack	NA	NA
+MJ090796	5-Hydroxy-4',6,7-trimethoxyflavone; 5-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C32H38O17	694.210899	NA	MeJP	NA	NA
+MJ090797	Justisolin; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H38O17	694.210899	NA	MeJP	NA	NA
+MJ090798	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C32H38O17	694.210899	NA	MeJP	NA	NA
+MJ090799	Sucrose; 3',6-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C32H38O17	694.210899	NA	MeJP	NA	NA
+MJ090800	Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-), 6-O-(4-hydroxycinnamoyl)(E-) 	C32H38O17	694.210899	NA	MeJP	NA	NA
+PJ017702	GDDEEM 	C25H38N6O15S	694.2116	NA	PeJP	NA	NA
+PJ017703	CCNNNQ 	C23H38N10O11S2	694.2163	NA	PeJP	NA	NA
+PJ017704	GGGGGGGACC 	C23H38N10O11S2	694.2164	NA	PeJP	NA	NA
+PJ017705	ACCDHF 	C28H38N8O9S2	694.2203	NA	PeJP	NA	NA
+PJ017706	GCCEHF 	C28H38N8O9S2	694.2204	NA	PeJP	NA	NA
+PJ017707	SNNDDM 	C24H38N8O14S	694.2228	NA	PeJP	NA	NA
+PJ017708	GGSNDDM 	C24H38N8O14S	694.2229	NA	PeJP	NA	NA
+PJ017709	SSCMMH 	C25H42N8O9S3	694.2237	NA	PeJP	NA	NA
+PJ017710	DDEMW 	C29H38N6O12S	694.2269	NA	PeJP	NA	NA
+PJ017711	SSDEEE 	C25H38N6O17	694.2294	NA	PeJP	NA	NA
+PJ017712	SPDDMM 	C26H42N6O12S2	694.2302	NA	PeJP	NA	NA
+PJ017713	GDDDHH 	C26H34N10O13	694.2307	NA	PeJP	NA	NA
+MJ090801	3-(3,4,5-Trihydroxyphenyl)-2-propenoic acid, Tri-Me ether, [?-L-arabinofuranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C29H42O19	694.232029	NA	MeJP	NA	NA
+MJ090802	Tin ethyl etiopurpurin 	C37H42N4O2Sn	694.232973	NA	MeJP	NA	NA
+PJ017714	GSSCNNN 	C23H38N10O13S	694.2341	NA	PeJP	NA	NA
+PJ017715	PCCCNR 	C24H42N10O8S3	694.235	NA	PeJP	NA	NA
+PJ017716	CCHFW 	C32H38N8O6S2	694.2356	NA	PeJP	NA	NA
+PJ017717	GSCNEW 	C28H38N8O11S	694.2381	NA	PeJP	NA	NA
+PJ017718	GSSSNDE 	C24H38N8O16	694.2406	NA	PeJP	NA	NA
+FL2FALNR0002	Sanggenon G	C40H38O11	694.24141	85698-31-3	knapsack	NA	NA
+MJ090803	Kuwanon O 	C40H38O11	694.241412	NA	MeJP	NA	NA
+MJ090804	Sanggenone G 	C40H38O11	694.241412	NA	MeJP	NA	NA
+PJ017719	GNNEMM 	C25H42N8O11S2	694.2415	NA	PeJP	NA	NA
+PJ017720	GPDDEY 	C29H38N6O14	694.2446	NA	PeJP	NA	NA
+PJ017721	PPCCEF 	C30H42N6O9S2	694.2455	NA	PeJP	NA	NA
+PJ017722	GTEEEM 	C26H42N6O14S	694.248	NA	PeJP	NA	NA
+PJ017723	GPEMMM 	C27H46N6O9S3	694.2489	NA	PeJP	NA	NA
+PJ017724	SPCDHH 	C27H38N10O10S	694.2493	NA	PeJP	NA	NA
+PJ017725	GCNDMR 	C24H42N10O10S2	694.2527	NA	PeJP	NA	NA
+PJ017726	SCNWW 	C32H38N8O8S	694.2533	NA	PeJP	NA	NA
+PJ017727	GGSCWW 	C32H38N8O8S	694.2534	NA	PeJP	NA	NA
+PJ017728	SSSNDW 	C28H38N8O13	694.2559	NA	PeJP	NA	NA
+PJ017729	NNMMW 	C29H42N8O8S2	694.2567	NA	PeJP	NA	NA
+PJ017730	SSNQEM 	C25H42N8O13S	694.2592	NA	PeJP	NA	NA
+PJ017731	PDDYW 	C33H38N6O11	694.2599	NA	PeJP	NA	NA
+PJ017732	PCCNKM 	C26H46N8O8S3	694.2601	NA	PeJP	NA	NA
+PJ017733	GCNQHH 	C26H38N12O9S	694.2606	NA	PeJP	NA	NA
+MJ090805	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-benzoyl, 2,8,14-tri-Ac 	C37H42O13	694.262541	NA	MeJP	NA	NA
+MJ090806	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8,9-Dibenzoyl, 1,2,6,14-tetra-Ac 	C37H42O13	694.262541	NA	MeJP	NA	NA
+MJ090807	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 2,6,9,14-tetra-Ac 	C37H42O13	694.262541	NA	MeJP	NA	NA
+MJ090808	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, Dibenzoyl, tetra-Ac 	C37H42O13	694.262541	NA	MeJP	NA	NA
+MJ090809	Aquayamycin; 3'-Deoxy, 3-O-(2,3,6-trideoxy-?-D-glycero-hex-2-enopyranos-4-ulosyl), 4'-O-(2,3,6-trideoxy-L-erythro-hexopyranosyl) 	C37H42O13	694.262541	NA	MeJP	NA	NA
+MJ090810	Quanolirone I 	C37H42O13	694.262541	NA	MeJP	NA	NA
+PJ017734	TEEMW 	C30H42N6O11S	694.2633	NA	PeJP	NA	NA
+PJ017735	PMMMW 	C31H46N6O6S3	694.2641	NA	PeJP	NA	NA
+PJ017736	STTEEE 	C26H42N6O16	694.2657	NA	PeJP	NA	NA
+PJ017737	TTTDEE 	C26H42N6O16	694.2658	NA	PeJP	NA	NA
+PJ017738	GVEEMM 	C27H46N6O11S2	694.2666	NA	PeJP	NA	NA
+PJ017739	GNNNNY 	C27H38N10O12	694.2671	NA	PeJP	NA	NA
+PJ017740	CCQRW 	C28H42N10O7S2	694.268	NA	PeJP	NA	NA
+PJ017741	SSCNER 	C24H42N10O12S	694.2705	NA	PeJP	NA	NA
+PJ017742	NNDFW 	C32H38N8O10	694.2711	NA	PeJP	NA	NA
+PJ017743	GSSQMW 	C29H42N8O10S	694.2745	NA	PeJP	NA	NA
+PJ017744	GSSSTQE 	C25H42N8O15	694.277	NA	PeJP	NA	NA
+PJ017745	ASQQMM 	C26H46N8O10S2	694.2778	NA	PeJP	NA	NA
+PJ017746	EEMMR 	C26H46N8O10S2	694.2779	NA	PeJP	NA	NA
+PJ017747	SSNNHH 	C26H38N12O11	694.2783	NA	PeJP	NA	NA
+PJ017748	PDMFW 	C34H42N6O8S	694.2785	NA	PeJP	NA	NA
+PJ017749	GPTEEY 	C30H42N6O13	694.281	NA	PeJP	NA	NA
+PJ017750	VEMMW 	C31H46N6O8S2	694.2819	NA	PeJP	NA	NA
+PJ017751	SEHHW 	C31H38N10O9	694.2823	NA	PeJP	NA	NA
+MJ090811	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 2,14-bis(2-methylpropanoyl), 1,6,8-tri-Ac 	C34H46O15	694.28367	NA	MeJP	NA	NA
+MJ090812	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Furancarbonyl), 8,14-bis(2-methylpropanoyl), 1,2,6-tri-Ac 	C34H46O15	694.28367	NA	MeJP	NA	NA
+MJ090813	2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 16-Butanoyl, 2,9,11,12,14-penta-Ac 	C34H46O15	694.28367	NA	MeJP	NA	NA
+MJ090814	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 1,2,4,7,9,10,13-Hepta-Ac 	C34H46O15	694.28367	NA	MeJP	NA	NA
+MJ090815	Nomilinic acid; O-?-D-Glucopyranoside 	C34H46O15	694.28367	NA	MeJP	NA	NA
+PJ017752	SSLEEM 	C27H46N6O13S	694.2844	NA	PeJP	NA	NA
+PJ017753	SPVMMM 	C28H50N6O8S3	694.2853	NA	PeJP	NA	NA
+PJ017754	GSSCRW 	C28H42N10O9S	694.2857	NA	PeJP	NA	NA
+PJ017755	GSSSSDR 	C24H42N10O14	694.2882	NA	PeJP	NA	NA
+MJ090816	Pyramidaglaine A 	C40H42N2O9	694.28903	NA	MeJP	NA	NA
+PJ017756	GSNMMR 	C25H46N10O9S2	694.2891	NA	PeJP	NA	NA
+PJ017757	NMHFF 	C33H42N8O7S	694.2897	NA	PeJP	NA	NA
+PJ017758	GGMHFF 	C33H42N8O7S	694.2898	NA	PeJP	NA	NA
+PJ017759	SSSTQW 	C29H42N8O12	694.2922	NA	PeJP	NA	NA
+PJ017760	GGAAQEY 	C29H42N8O12	694.2923	NA	PeJP	NA	NA
+PJ017761	CQKMW 	C30H46N8O7S2	694.2931	NA	PeJP	NA	NA
+PJ017762	SSNKEM 	C26H46N8O12S	694.2956	NA	PeJP	NA	NA
+PJ017763	PTEYW 	C34H42N6O10	694.2963	NA	PeJP	NA	NA
+PJ017764	DMHHR 	C27H42N12O8S	694.297	NA	PeJP	NA	NA
+MJ090817	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, 1,2-Dibenzoyl, 9-(2-methylbutanoyl), 6,14-di-Ac 	C38H46O12	694.298926	NA	MeJP	NA	NA
+MJ090818	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 8-(2-methylbutanoyl), 6,14-di-Ac 	C38H46O12	694.298926	NA	MeJP	NA	NA
+PJ017765	GPVEMY 	C31H46N6O10S	694.2996	NA	PeJP	NA	NA
+PJ017766	GTCCRR 	C24H46N12O8S2	694.3003	NA	PeJP	NA	NA
+PJ017767	CLHHW 	C32H42N10O6S	694.301	NA	PeJP	NA	NA
+PJ017768	ATLEMM 	C28H50N6O10S2	694.303	NA	PeJP	NA	NA
+PJ017769	NNERY 	C28H42N10O11	694.3035	NA	PeJP	NA	NA
+PJ017770	CCKRW 	C29H46N10O6S2	694.3043	NA	PeJP	NA	NA
+PJ017771	QHHHH 	C29H38N14O7	694.3048	NA	PeJP	NA	NA
+PJ017772	SSSQMR 	C25H46N10O11S	694.3068	NA	PeJP	NA	NA
+PJ017773	AQQYW 	C33H42N8O9	694.3075	NA	PeJP	NA	NA
+PJ017774	GSSKMW 	C30H46N8O9S	694.3109	NA	PeJP	NA	NA
+PJ017775	GSSSTKE 	C26H46N8O14	694.3134	NA	PeJP	NA	NA
+PJ017776	GTQKMM 	C27H50N8O9S2	694.3142	NA	PeJP	NA	NA
+PJ017777	GCKKEM 	C27H50N8O9S2	694.3143	NA	PeJP	NA	NA
+PJ017778	GPNDHR 	C27H42N12O10	694.3147	NA	PeJP	NA	NA
+PJ017779	PVMYW 	C35H46N6O7S	694.3149	NA	PeJP	NA	NA
+PJ017780	AALEEY 	C31H46N6O12	694.3174	NA	PeJP	NA	NA
+PJ017781	SSSCRR 	C24H46N12O10S	694.3181	NA	PeJP	NA	NA
+PJ017782	GPLMMF 	C32H50N6O7S2	694.3183	NA	PeJP	NA	NA
+PJ017783	GNRYW 	C32H42N10O8	694.3187	NA	PeJP	NA	NA
+MJ090819	Anchinopeptolide A; 7,7'-Bisdemethyl 	C32H42N10O8	694.318708	NA	MeJP	NA	NA
+MJ090820	10-Bisfoliamenthoylcatalpol 	C35H50O14	694.320056	NA	MeJP	NA	NA
+MJ090821	3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide, 14-Me ether, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C35H50O14	694.320056	NA	MeJP	NA	NA
+MJ090822	Kickxioside; 5-O-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) 	C35H50O14	694.320056	NA	MeJP	NA	NA
+PJ017784	TTTLEM 	C28H50N6O12S	694.3208	NA	PeJP	NA	NA
+MJ090823	Adociasulfate 5; 2'-Sulfate 	C36H54O9S2	694.320924	NA	MeJP	NA	NA
+MJ090824	Adociasulfate 6; 2'-Sulfate 	C36H54O9S2	694.320924	NA	MeJP	NA	NA
+MJ090825	Toxicol B; 1',4'-Disulfate 	C36H54O9S2	694.320924	NA	MeJP	NA	NA
+PJ017785	GLLMMM 	C29H54N6O7S3	694.3216	NA	PeJP	NA	NA
+PJ017786	NQMFR 	C29H46N10O8S	694.3221	NA	PeJP	NA	NA
+PJ017787	GSSSTTR 	C25H46N10O13	694.3246	NA	PeJP	NA	NA
+MJ090826	Dehydrothalicarpine 	C41H46N2O8	694.325416	NA	MeJP	NA	NA
+MJ090827	Thalifaberine; 6a,7-Didehydro 	C41H46N2O8	694.325416	NA	MeJP	NA	NA
+PJ017788	GTCKMR 	C26H50N10O8S2	694.3255	NA	PeJP	NA	NA
+PJ017789	SSSTKW 	C30H46N8O11	694.3286	NA	PeJP	NA	NA
+PJ017790	GGGPPPVD 	C30H46N8O11	694.3287	NA	PeJP	NA	NA
+PJ017791	CKKMW 	C31H50N8O6S2	694.3295	NA	PeJP	NA	NA
+PJ017792	APPHHH 	C31H42N12O7	694.33	NA	PeJP	NA	NA
+PJ017793	SSDKKM 	C27H50N8O11S	694.332	NA	PeJP	NA	NA
+PJ017794	TLEFW 	C35H46N6O9	694.3326	NA	PeJP	NA	NA
+PJ017795	VVEYW 	C35H46N6O9	694.3327	NA	PeJP	NA	NA
+PJ017796	CNFRR 	C28H46N12O7S	694.3333	NA	PeJP	NA	NA
+PJ017797	GGCFRR 	C28H46N12O7S	694.3334	NA	PeJP	NA	NA
+PJ017798	APTLMY 	C32H50N6O9S	694.336	NA	PeJP	NA	NA
+PJ017799	STLLMM 	C29H54N6O9S2	694.3394	NA	PeJP	NA	NA
+MJ090828	Asparaginylprolylthreonylasparaginylleucylhistidine 	C29H46N10O10	694.339837	NA	MeJP	NA	NA
+PJ017800	NDKRY 	C29H46N10O10	694.3399	NA	PeJP	NA	NA
+MJ090829	4(15)-Eudesmene-2,11-diol; 2?-form, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside], 11-O-?-D-glucopyranoside 	C32H54O16	694.341185	NA	MeJP	NA	NA
+PJ017801	KHHHH 	C30H42N14O6	694.3412	NA	PeJP	NA	NA
+MJ090830	25-(3,5-Dihydroxyphenyl)-9,10-pentacosanediol; 16(17)-Ac, 3',5'-di-O-sulfate 	C33H58O11S2	694.342054	NA	MeJP	NA	NA
+MJ090831	25-(3,5-Dihydroxyphenyl)-9,10-pentacosanediol; 17(16)-Ac, 3',5'-di-O-sulfate 	C33H58O11S2	694.342054	NA	MeJP	NA	NA
+MJ090832	Antibiotic PF 1057A; 16'-Ac 	C33H58O11S2	694.342054	NA	MeJP	NA	NA
+MJ090833	Antibiotic PF 1057A; 17'-Ac 	C33H58O11S2	694.342054	NA	MeJP	NA	NA
+PJ017802	SSSKMR 	C26H50N10O10S	694.3432	NA	PeJP	NA	NA
+PJ017803	AQKYW 	C34H46N8O8	694.3439	NA	PeJP	NA	NA
+C08681	Elatine	C38H50N2O10	694.3465	NA	KEGG	NA	NA
+MJ090834	Elatine 	C38H50N2O10	694.346545	NA	MeJP	NA	NA
+PJ017804	GPCKKY 	C31H50N8O8S	694.3473	NA	PeJP	NA	NA
+PJ017805	PVFFW 	C39H46N6O6	694.3479	NA	PeJP	NA	NA
+PJ017806	SSSSSLK 	C27H50N8O13	694.3497	NA	PeJP	NA	NA
+PJ017807	ASSTTTK 	C27H50N8O13	694.3498	NA	PeJP	NA	NA
+PJ017808	GTKKMM 	C28H54N8O8S2	694.3506	NA	PeJP	NA	NA
+PJ017809	SNRRY 	C28H46N12O9	694.3511	NA	PeJP	NA	NA
+PJ017810	VLMFW 	C36H50N6O6S	694.3513	NA	PeJP	NA	NA
+PJ017811	GTLLEY 	C32H50N6O11	694.3538	NA	PeJP	NA	NA
+MJ090835	2,2',3,3'-Tetrahydroxy-?,?-carotene-4,4'-dione; 4'-Deoxo, 3'-O-sulfate 	C40H54O8S	694.353939	NA	MeJP	NA	NA
+MJ090836	Bastaxanthol; 3'?-Alcohol, 3-O-sulfate 	C40H54O8S	694.353939	NA	MeJP	NA	NA
+PJ017812	PQKHW 	C33H46N10O7	694.3551	NA	PeJP	NA	NA
+MJ090837	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2,5-Bis(2-methylbutanoyl), 7,8,9-tri-Ac 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090838	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090839	3,14-Dihydroxybufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090840	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-ribo-Hexopyranos-3-ulosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090841	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[?-D-Glucopyranoside-(1?4)-(6-deoxy-3-O-methyl-?-D-glucopyranoside)] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090842	3,14-Dihydroxycarda-16,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitaloside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090843	Cerleaside A; 4'-O-?-D-Glucopyranosyl 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090844	Oleagenin; 3-O-[?-D-Glucopyranosyl(1?4)-D-digitaloside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090845	Periforgenin A; 3-O-(2,6-Dideoxy-4-O-?-D-glucopyranosyl-3-O-methyl-?-D-ribo-hexopyranoside) 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090846	Thevetiogenin; 3-O-[?-D-Glucopyranosyl(1?4)-3-O-methyl-?-L-rhamnopyranoside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+MJ090847	Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C36H54O13	694.356441	NA	MeJP	NA	NA
+PJ017813	NKMFR 	C30H50N10O7S	694.3585	NA	PeJP	NA	NA
+MJ090848	Cholestane-3,6,8,15,16,24-hexol, 24-O-(3-O-Methyl-5-O-sulfo-?-D-xylofuranoside) 	C33H58O13S	694.359812	NA	MeJP	NA	NA
+MJ090849	Cholestane-3,6,8,15,24-pentol, 24-O-?-D-Glucopyranoside, 6-sulfate 	C33H58O13S	694.359812	NA	MeJP	NA	NA
+PJ017814	QKKEY 	C31H50N8O10	694.365	NA	PeJP	NA	NA
+PJ017815	VHHFR 	C32H46N12O6	694.3664	NA	PeJP	NA	NA
+PJ017816	STTKKM 	C28H54N8O10S	694.3684	NA	PeJP	NA	NA
+PJ017817	TLLYW 	C36H50N6O8	694.369	NA	PeJP	NA	NA
+MJ090850	34-Ethylhuratoxin; 26,27-Didehydro, 5,20-di-Ac 	C40H54O10	694.371697	NA	MeJP	NA	NA
+MJ090851	Biperezone; 12,12'-Bis(2-methylbutanoyloxy) 	C40H54O10	694.371697	NA	MeJP	NA	NA
+MJ090852	Biperezone; 12,12'-Bis(3-methylbutanoyloxy) 	C40H54O10	694.371697	NA	MeJP	NA	NA
+PJ017818	GVLLMY 	C33H54N6O8S	694.3724	NA	PeJP	NA	NA
+PJ017819	TQKRY 	C30H50N10O9	694.3762	NA	PeJP	NA	NA
+MJ090853	Glycocinnaspermicidin A; 4'-O-Deglycosyl 	C30H50N10O9	694.376223	NA	MeJP	NA	NA
+PJ017820	GATKRY 	C30H50N10O9	694.3763	NA	PeJP	NA	NA
+MJ090854	1,2-Di-O-acylglycerols; Glycerol 1-dodecanoate 2-(3Z-hexenoate), 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C33H58O15	694.377571	NA	MeJP	NA	NA
+PJ017821	AKKYW 	C35H50N8O7	694.3803	NA	PeJP	NA	NA
+MJ090855	15-Bromo-4(19),9(11)-neopargueradiene-2,3,7,16-tetrol, 2-Ac, 3-O-palmitoyl 	C38H63BrO6	694.380802	NA	MeJP	NA	NA
+PJ017822	LLMRY 	C32H54N8O7S	694.3836	NA	PeJP	NA	NA
+PJ017823	AAKKMF 	C32H54N8O7S	694.3837	NA	PeJP	NA	NA
+PJ017824	GPTKHR 	C29H50N12O8	694.3875	NA	PeJP	NA	NA
+PJ017825	SSLLLY 	C33H54N6O10	694.3902	NA	PeJP	NA	NA
+PJ017826	PKKHW 	C34H50N10O6	694.3915	NA	PeJP	NA	NA
+MJ090856	2,3,19-Trihydroxy-12-ursene-23,28-dioic acid, 28-O-(6-O-Methyl-?-D-glucopyranosyl) ester 	C37H58O12	694.392827	NA	MeJP	NA	NA
+MJ090857	2,3,19-Trihydroxy-12-ursene-24,28-dioic acid, 28-O-(3-O-Methyl-?-D-glucopyranosyl) ester 	C37H58O12	694.392827	NA	MeJP	NA	NA
+MJ090858	2,3,19-Trihydroxy-12-ursene-24,28-dioic acid, 28-O-(6-O-Methyl-?-D-glucopyranosyl) ester 	C37H58O12	694.392827	NA	MeJP	NA	NA
+MJ090859	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 11-Ac, 3-O-[2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C37H58O12	694.392827	NA	MeJP	NA	NA
+MJ090860	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranoside] 	C37H58O12	694.392827	NA	MeJP	NA	NA
+PJ017827	VQHRR 	C28H50N14O7	694.3987	NA	PeJP	NA	NA
+PJ017828	KKKEY 	C32H54N8O9	694.4014	NA	PeJP	NA	NA
+PJ017829	GVLLFF 	C37H54N6O7	694.4054	NA	PeJP	NA	NA
+MJ090861	Melianin A 	C41H58O9	694.408083	NA	MeJP	NA	NA
+MJ090862	Melianin B 	C41H58O9	694.408083	NA	MeJP	NA	NA
+MJ090863	Hazuntamine 	C42H54N4O5	694.40942	NA	MeJP	NA	NA
+PJ017830	AHRRR 	C27H50N16O6	694.41	NA	PeJP	NA	NA
+PJ017831	TKKRY 	C31H54N10O8	694.4126	NA	PeJP	NA	NA
+PJ017832	GGPPVLR 	C31H54N10O8	694.4127	NA	PeJP	NA	NA
+PJ017833	LLFFR 	C36H54N8O6	694.4167	NA	PeJP	NA	NA
+PJ017834	GPPLRR 	C30H54N12O7	694.4239	NA	PeJP	NA	NA
+MJ090864	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 25-Me ether, 24-Ac, 3-O-?-D-xylopyranoside 	C38H62O11	694.429212	NA	MeJP	NA	NA
+MJ090865	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-glucopyranoside) 	C38H62O11	694.429212	NA	MeJP	NA	NA
+MJ090866	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(3-O-Acetyl-?-D-glucopyranoside) 	C38H62O11	694.429212	NA	MeJP	NA	NA
+MJ090867	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-Ac, 3-O-?-D-glucopyranoside 	C38H62O11	694.429212	NA	MeJP	NA	NA
+MJ090868	Cumingianoside G; 3-Ketone, 6'-Ac 	C38H62O11	694.429212	NA	MeJP	NA	NA
+PJ017835	VKHRR 	C29H54N14O6	694.4351	NA	PeJP	NA	NA
+PJ017836	SLLLLH 	C33H58N8O8	694.4378	NA	PeJP	NA	NA
+MJ090869	Edeine; Edeine D, Decarboxy 	C32H58N10O7	694.448994	NA	MeJP	NA	NA
+PJ017837	PPVVKR 	C32H58N10O7	694.449	NA	PeJP	NA	NA
+PJ017838	PPLLKK 	C34H62N8O7	694.4742	NA	PeJP	NA	NA
+HMDB07411	DG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07438	DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07439	DG(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07466	DG(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07495	DG(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07581	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07665	DG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07690	DG(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07691	DG(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07718	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07747	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+HMDB07775	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)	C45H74O5	694.55365	NA	HMDB2010	NA	NA
+MJ090870	3-Hydroxy-12-oleanen-28-oic acid, 3-Hexadecanoyl 	C46H78O4	694.59001	NA	MeJP	NA	NA
+MJ090871	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-ditetradecanoate 3-dodecanoate 	C43H82O6	694.61114	NA	MeJP	NA	NA
+MJ090872	3-Friedelanol, Octadecanoyl 	C48H86O2	694.662781	NA	MeJP	NA	NA
+PJ017839	CCCCQH 	C23H37N9O8S4	695.1648	NA	PeJP	NA	NA
+PJ017840	CNDDDD 	C23H33N7O16S	695.1705	NA	PeJP	NA	NA
+FL7AAAGL0026	Pelargonidin 3-(6''-succinylglucoside)-5-glucoside	C31H35O18	695.18233	-	knapsack	NA	NA
+FL7AACGL0045	Cyanidin 3,5-di-(6-acetylglucoside)	C31H35O18	695.18233	161992-98-9	knapsack	NA	NA
+PJ017841	GSSCCCH 	C23H37N9O10S3	695.1826	NA	PeJP	NA	NA
+C06787	Dexylosylbenanomicin A	C34H33NO15	695.185	NA	KEGG	NA	NA
+MJ090873	Benanomicin A; 3A-De-O-xylosyl 	C34H33NO15	695.185019	NA	MeJP	NA	NA
+PJ017842	GSPCCDD 	C24H37N7O13S2	695.1891	NA	PeJP	NA	NA
+PJ017843	APPCCCC 	C25H41N7O8S4	695.19	NA	PeJP	NA	NA
+PJ017844	CCNNNE 	C23H37N9O12S2	695.2003	NA	PeJP	NA	NA
+PJ017845	GGGGCCNE 	C23H37N9O12S2	695.2004	NA	PeJP	NA	NA
+PJ017846	CCCCKH 	C24H41N9O7S4	695.2012	NA	PeJP	NA	NA
+PJ017847	SNDDDM 	C24H37N7O15S	695.2069	NA	PeJP	NA	NA
+PJ017848	PCCNEM 	C25H41N7O10S3	695.2077	NA	PeJP	NA	NA
+PJ017849	GCCNNW 	C27H37N9O9S2	695.2156	NA	PeJP	NA	NA
+PJ017850	GSSCNND 	C23H37N9O14S	695.2181	NA	PeJP	NA	NA
+PJ017851	PCCCDR 	C24H41N9O9S3	695.219	NA	PeJP	NA	NA
+PJ017852	GSCDEW 	C28H37N7O12S	695.2221	NA	PeJP	NA	NA
+PJ017853	GPCCMW 	C29H41N7O7S3	695.223	NA	PeJP	NA	NA
+PJ017854	GSSSDDE 	C24H37N7O17	695.2246	NA	PeJP	NA	NA
+PJ017855	GNDEMM 	C25H41N7O12S2	695.2255	NA	PeJP	NA	NA
+PJ017856	GCDDMR 	C24H41N9O11S2	695.2367	NA	PeJP	NA	NA
+PJ017857	SCDWW 	C32H37N7O9S	695.2374	NA	PeJP	NA	NA
+PJ017858	SSSDDW 	C28H37N7O14	695.2399	NA	PeJP	NA	NA
+PJ017859	NDMMW 	C29H41N7O9S2	695.2407	NA	PeJP	NA	NA
+PJ017860	GGDMMW 	C29H41N7O9S2	695.2408	NA	PeJP	NA	NA
+PJ017861	SSNEEM 	C25H41N7O14S	695.2432	NA	PeJP	NA	NA
+PJ017862	GGSSEEM 	C25H41N7O14S	695.2433	NA	PeJP	NA	NA
+PJ017863	SPCQMM 	C26H45N7O9S3	695.2441	NA	PeJP	NA	NA
+PJ017864	GCNEHH 	C26H37N11O10S	695.2446	NA	PeJP	NA	NA
+PJ017865	SCCNNR 	C23H41N11O10S2	695.2479	NA	PeJP	NA	NA
+PJ017866	GGSCCNR 	C23H41N11O10S2	695.248	NA	PeJP	NA	NA
+PJ017867	GNNNDY 	C27H37N9O13	695.2511	NA	PeJP	NA	NA
+PJ017868	CCERW 	C28H41N9O8S2	695.252	NA	PeJP	NA	NA
+PJ017869	SSCDER 	C24H41N9O13S	695.2545	NA	PeJP	NA	NA
+PJ017870	NDDFW 	C32H37N7O11	695.2551	NA	PeJP	NA	NA
+MetaCyc04060	curcumin 4'-O-&beta;-D-gentiobioside []	C33H43O16	695.25511	NA	metacyc	NA	NA
+MetaCyc04061	curcumin diglucoside []	C33H43O16	695.25511	NA	metacyc	NA	NA
+PJ017871	SPCCMR 	C25H45N9O8S3	695.2553	NA	PeJP	NA	NA
+MJ090874	Preulicyclamide 	C33H41N7O6S2	695.255973	NA	MeJP	NA	NA
+PJ017872	ACMWW 	C33H41N7O6S2	695.256	NA	PeJP	NA	NA
+MJ090875	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 3-Pyridinecarbonyl, benzoyl, tetra-Ac 	C36H41NO13	695.25779	NA	MeJP	NA	NA
+PJ017873	GSSEMW 	C29H41N7O11S	695.2585	NA	PeJP	NA	NA
+PJ017874	MMMHF 	C30H45N7O6S3	695.2594	NA	PeJP	NA	NA
+PJ017875	CNHHW 	C30H37N11O7S	695.2598	NA	PeJP	NA	NA
+PJ017876	GGCHHW 	C30H37N11O7S	695.2599	NA	PeJP	NA	NA
+PJ017877	GSSSTEE 	C25H41N7O16	695.261	NA	PeJP	NA	NA
+PJ017878	GTQEMM 	C26H45N7O11S2	695.2619	NA	PeJP	NA	NA
+PJ017879	SSNDHH 	C26H37N11O12	695.2623	NA	PeJP	NA	NA
+PJ017880	GGSSDHH 	C26H37N11O12	695.2624	NA	PeJP	NA	NA
+PJ017881	GMYYY 	C34H41N5O9S	695.2625	NA	PeJP	NA	NA
+PJ017882	GNNNMF 	C28H41N9O10S	695.2697	NA	PeJP	NA	NA
+PJ017883	GGGGGNMF 	C28H41N9O10S	695.2698	NA	PeJP	NA	NA
+PJ017884	SSSSSNQ 	C24H41N9O15	695.2722	NA	PeJP	NA	NA
+PJ017885	GSDMMR 	C25H45N9O10S2	695.2731	NA	PeJP	NA	NA
+PJ017886	SSMWW 	C33H41N7O8S	695.2737	NA	PeJP	NA	NA
+PJ017887	GAPCYW 	C33H41N7O8S	695.2738	NA	PeJP	NA	NA
+PJ017888	SSSTEW 	C29H41N7O13	695.2763	NA	PeJP	NA	NA
+PJ017889	TQMMW 	C30H45N7O8S2	695.2771	NA	PeJP	NA	NA
+PJ017890	SSDKEM 	C26H45N7O13S	695.2796	NA	PeJP	NA	NA
+PJ017891	STYYY 	C34H41N5O11	695.2803	NA	PeJP	NA	NA
+PJ017892	GVQMMM 	C27H49N7O8S3	695.2805	NA	PeJP	NA	NA
+PJ017893	GSQMHH 	C27H41N11O9S	695.281	NA	PeJP	NA	NA
+PJ017894	GPPCHW 	C32H41N9O7S	695.285	NA	PeJP	NA	NA
+MJ090876	N2-[N-[N-Acetyl-4-O-[2-(acetylamino)-2-deoxy-?-D-glucopyranosyl]muramoyl]-L-alanyl]-D-?-glutamine 	C27H45N5O16	695.28613	NA	MeJP	NA	NA
+PJ017895	NDERY 	C28H41N9O12	695.2875	NA	PeJP	NA	NA
+PJ017896	TCMRW 	C29H45N9O7S2	695.2884	NA	PeJP	NA	NA
+PJ017897	EHHHH 	C29H37N13O8	695.2888	NA	PeJP	NA	NA
+PJ017898	SSSEMR 	C25H45N9O12S	695.2909	NA	PeJP	NA	NA
+PJ017899	AQEYW 	C33H41N7O10	695.2915	NA	PeJP	NA	NA
+PJ017900	QMMMR 	C26H49N9O7S3	695.2917	NA	PeJP	NA	NA
+PJ017901	GSCHHR 	C26H41N13O8S	695.2922	NA	PeJP	NA	NA
+MJ090877	Rifamycin S 	C37H45NO12	695.294175	NA	MeJP	NA	NA
+C14540	Rifamycin S	C37H45NO12	695.2942	NA	KEGG	NA	NA
+PJ017902	GTTTMW 	C30H45N7O10S	695.2949	NA	PeJP	NA	NA
+PJ017903	GFFYY 	C38H41N5O8	695.2955	NA	PeJP	NA	NA
+PJ017904	SSSSSLE 	C26H45N7O15	695.2974	NA	PeJP	NA	NA
+PJ017905	SSLQMM 	C27H49N7O10S2	695.2982	NA	PeJP	NA	NA
+PJ017906	GTKEMM 	C27H49N7O10S2	695.2983	NA	PeJP	NA	NA
+PJ017907	GPDDHR 	C27H41N11O11	695.2987	NA	PeJP	NA	NA
+PJ017908	GGGGGGPTH 	C27H41N11O11	695.2988	NA	PeJP	NA	NA
+PJ017909	GDRYW 	C32H41N9O9	695.3027	NA	PeJP	NA	NA
+PJ017910	GAPEHW 	C32H41N9O9	695.3028	NA	PeJP	NA	NA
+PJ017911	CMMRR 	C25H49N11O6S3	695.303	NA	PeJP	NA	NA
+PJ017912	GPTCRY 	C29H45N9O9S	695.3061	NA	PeJP	NA	NA
+PJ017913	AAYWW 	C37H41N7O7	695.3068	NA	PeJP	NA	NA
+PJ017914	SSSSSNK 	C25H45N9O14	695.3086	NA	PeJP	NA	NA
+PJ017915	GTTMMR 	C26H49N9O9S2	695.3095	NA	PeJP	NA	NA
+PJ017916	PCKYW 	C34H45N7O7S	695.3101	NA	PeJP	NA	NA
+PJ017917	GGVMFW 	C34H45N7O7S	695.3102	NA	PeJP	NA	NA
+PJ017918	STTTTW 	C30H45N7O12	695.3126	NA	PeJP	NA	NA
+PJ017919	GAKEEY 	C30H45N7O12	695.3127	NA	PeJP	NA	NA
+PJ017920	TKMMW 	C31H49N7O7S2	695.3135	NA	PeJP	NA	NA
+PJ017921	QQHHF 	C31H41N11O8	695.314	NA	PeJP	NA	NA
+3509	ACE inhibitor (b-Lg 15-20)	VAGTWY	695.315	ACE inhibitor	Inhouse_peptide	NA	peptide
+4014	f(15-20) of bovine b-lactoglobulin	VAGTWY	695.315	antifungal	Inhouse_peptide	NA	peptide
+PJ017922	STTKEM 	C27H49N7O12S	695.316	NA	PeJP	NA	NA
+PJ017923	GVKMMM 	C28H53N7O7S3	695.3169	NA	PeJP	NA	NA
+PJ017924	CDFRR 	C28H45N11O8S	695.3174	NA	PeJP	NA	NA
+PJ017925	APHWW 	C36H41N9O6	695.318	NA	PeJP	NA	NA
+PJ017926	GMFRW 	C33H45N9O6S	695.3214	NA	PeJP	NA	NA
+PJ017927	TQERY 	C29H45N9O11	695.3239	NA	PeJP	NA	NA
+PJ017928	STTTMR 	C26H49N9O11S	695.3272	NA	PeJP	NA	NA
+PJ017929	AKEYW 	C34H45N7O9	695.3279	NA	PeJP	NA	NA
+PJ017930	KMMMR 	C27H53N9O6S3	695.3281	NA	PeJP	NA	NA
+PJ017931	GPTKMY 	C31H49N7O9S	695.3313	NA	PeJP	NA	NA
+PJ017932	SSSTTTL 	C27H49N7O14	695.3338	NA	PeJP	NA	NA
+PJ017933	SSLKMM 	C28H53N7O9S2	695.3346	NA	PeJP	NA	NA
+PJ017934	SDRRY 	C28H45N11O10	695.3351	NA	PeJP	NA	NA
+PJ017935	ATRYW 	C33H45N9O8	695.3391	NA	PeJP	NA	NA
+PJ017936	GAAPPHF 	C33H45N9O8	695.3392	NA	PeJP	NA	NA
+PJ017937	VQMRY 	C30H49N9O8S	695.3425	NA	PeJP	NA	NA
+PJ017938	VHFFF 	C38H45N7O6	695.3432	NA	PeJP	NA	NA
+PJ017939	SCCKKK 	C27H53N9O8S2	695.3459	NA	PeJP	NA	NA
+PJ017940	QQQHR 	C27H45N13O9	695.3463	NA	PeJP	NA	NA
+PJ017941	GAQQHR 	C27H45N13O9	695.3464	NA	PeJP	NA	NA
+PJ017942	CLKFW 	C35H49N7O6S	695.3465	NA	PeJP	NA	NA
+PJ017943	KKEEY 	C31H49N7O11	695.349	NA	PeJP	NA	NA
+PJ017944	PTHRW 	C32H45N11O7	695.3504	NA	PeJP	NA	NA
+MJ090878	Tetramycin A 	C35H53NO13	695.35169	NA	MeJP	NA	NA
+PJ017945	AMRRY 	C29H49N11O7S	695.3537	NA	PeJP	NA	NA
+PJ017946	GPVMHR 	C29H49N11O7S	695.3538	NA	PeJP	NA	NA
+PJ017947	NNHRR 	C26H45N15O8	695.3576	NA	PeJP	NA	NA
+PJ017948	TKERY 	C30H49N9O10	695.3603	NA	PeJP	NA	NA
+PJ017949	SLKYW 	C35H49N7O8	695.3643	NA	PeJP	NA	NA
+2933	NA	RSSCFGGRIDRIGAC	695.36495	MH2+	Inhouse_peptide	NA	peptide
+PJ017950	PMHRR 	C28H49N13O6S	695.365	NA	PeJP	NA	NA
+MJ090879	4(20),11-Taxadiene-2,5,9,10,13-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 2,9,10,13-tetra-Ac 	C39H53NO10	695.366946	NA	MeJP	NA	NA
+MJ090880	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl), 7,9,10,13-tetra-Ac 	C39H53NO10	695.366946	NA	MeJP	NA	NA
+PJ017951	AALKMY 	C32H53N7O8S	695.3677	NA	PeJP	NA	NA
+MJ090881	Jubanine A 	C40H49N5O6	695.368284	NA	MeJP	NA	NA
+PJ017952	TTRRY 	C29H49N11O9	695.3715	NA	PeJP	NA	NA
+PJ017953	LLQHW 	C34H49N9O7	695.3755	NA	PeJP	NA	NA
+MJ090882	3,14,19-Trihydroxybufa-20,22-dienolide, 3-Suberoyl-L-histidine ester 	C38H53N3O9	695.37818	NA	MeJP	NA	NA
+PJ017954	VKMRY 	C31H53N9O7S	695.3789	NA	PeJP	NA	NA
+MJ090883	Nodulosporic acid A1 	C43H53NO7	695.382203	NA	MeJP	NA	NA
+PJ017955	VEHRR 	C28H49N13O8	695.3827	NA	PeJP	NA	NA
+PJ017956	GGGPPRR 	C28H49N13O8	695.3828	NA	PeJP	NA	NA
+PJ017957	ATTLKY 	C32H53N7O10	695.3854	NA	PeJP	NA	NA
+PJ017958	VVHRW 	C33H49N11O6	695.3868	NA	PeJP	NA	NA
+PJ017959	SVLLQH 	C31H53N9O9	695.3966	NA	PeJP	NA	NA
+PJ017960	PPVVER 	C31H53N9O9	695.3967	NA	PeJP	NA	NA
+PJ017961	APPLLW 	C36H53N7O7	695.4007	NA	PeJP	NA	NA
+PJ017962	GTLLHR 	C30H53N11O8	695.4079	NA	PeJP	NA	NA
+PJ017963	LLKHW 	C35H53N9O6	695.4119	NA	PeJP	NA	NA
+PJ017964	QKKHR 	C29H53N13O7	695.4191	NA	PeJP	NA	NA
+PJ017965	PPLLKE 	C33H57N7O9	695.4218	NA	PeJP	NA	NA
+MJ090884	Mycinamycin VI; 2'',3''-Di-Me ether 	C37H61NO11	695.424461	NA	MeJP	NA	NA
+MJ090885	N'-(6-Methoxy-4-quinolinyl)-N,N-dimethyl-1,2-ethanediamine; Compd. with 6-[(diethylamino)carbonyl]-3-cyclohexene-1-carboxylic acid (1:2) 	C38H57N5O7	695.425799	NA	MeJP	NA	NA
+PJ017966	PPTLLR 	C32H57N9O8	695.433	NA	PeJP	NA	NA
+PJ017967	APPKKR 	C31H57N11O7	695.4443	NA	PeJP	NA	NA
+PJ017968	KKKHR 	C30H57N13O6	695.4555	NA	PeJP	NA	NA
+3882	temporin B	LLPIVGNLLKSLL~	695.45695	MH2+	Inhouse_peptide	NA	peptide
+3896	temporin K	LLPVIGNLLKSLL~	695.45695	MH2+	Inhouse_peptide	NA	peptide
+PJ017969	PLLLLQ 	C34H61N7O8	695.4582	NA	PeJP	NA	NA
+PJ017970	PVVLLR 	C33H61N9O7	695.4694	NA	PeJP	NA	NA
+HMDB09213	PE(18:4(6Z,9Z,12Z,15Z)/P-16:0)	C39H70NO7P	695.489014	NA	HMDB2010	NA	NA
+HMDB11346	PE(P-16:0/18:4(6Z,9Z,12Z,15Z))	C39H70NO7P	695.489014	NA	HMDB2010	NA	NA
+PJ017971	PLLLLK 	C35H65N7O7	695.4946	NA	PeJP	NA	NA
+MJ090886	Halyminine 	C43H85NO5	695.642774	NA	MeJP	NA	NA
+7001	synthetic peptide from alpha-gliadin	QLQPQNPSQQQP	695.83145	MH2+	Inhouse_peptide	NA	peptide
+MJ090887	Ageliferin; 2-Bromo 	C22H23Br3N10O2	695.955557	NA	MeJP	NA	NA
+C14078	Congo red	C32H22N6O6S2	696.0838	NA	KEGG	NA	NA
+MJ090888	Chaetocin 	C30H28N6O6S4	696.095315	NA	MeJP	NA	NA
+MJ090889	Melinacidin II 	C30H28N6O6S4	696.095315	NA	MeJP	NA	NA
+MJ090890	Verticillin A 	C30H28N6O6S4	696.095315	NA	MeJP	NA	NA
+PJ017972	CCCCCY 	C24H36N6O8S5	696.1198	NA	PeJP	NA	NA
+MJ090891	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 2''-(3,4,5-Trihydroxybenzoyl), 6''-(4-hydroxybenzoyl) 	C33H28O17	696.132649	NA	MeJP	NA	NA
+MJ090892	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 6''-(3,4,5-Trihydroxybenzoyl), 2''-(p-hydroxybenzoyl) 	C33H28O17	696.132649	NA	MeJP	NA	NA
+PJ017973	CCCCEH 	C23H36N8O9S4	696.1488	NA	PeJP	NA	NA
+FL5FAAGL0084	Kaempferol 3-(6''-malonylglucoside)-7-glucoside	C30H32O19	696.15377	152503-08-7	knapsack	NA	NA
+FL5FACGL0065	Quercetin 3-(6''-malonylglucoside)-7-rhamnoside	C30H32O19	696.15377	162856-73-7	knapsack	NA	NA
+FL5FACGS0100	Quercetin 3-(6''-malonylneohesperidoside);Quercetin 3-O-(2''-O-alpha-rhamnosyl-6''-O-malonyl)-beta-glucoside;3-[[6-O-(carboxyacetyl)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C30H32O19	696.15377	528606-93-1	knapsack	NA	NA
+MJ090893	Populnin; 3-O-(6-O-Malonyl-?-D-glucopyranoside) 	C30H32O19	696.153778	NA	MeJP	NA	NA
+MJ090894	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C30H33O19(+)	696.153778	NA	MeJP	NA	NA
+PJ017974	CDDDDD 	C23H32N6O17S	696.1545	NA	PeJP	NA	NA
+MJ090895	Betanidin; 6-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside] (?) 	C33H32N2O15	696.180268	NA	MeJP	NA	NA
+MJ090896	Julichrome Q1.2 	C38H32O13	696.184291	NA	MeJP	NA	NA
+PJ017975	CCNNDE 	C23H36N8O13S2	696.1844	NA	PeJP	NA	NA
+PJ017976	TCCCMH 	C24H40N8O8S4	696.1852	NA	PeJP	NA	NA
+FL3FAADS0009	Isomollupentin 7-O-glucoside-2''-O-xyloside	C31H36O18	696.19016	89708-28-1	knapsack	NA	NA
+FL3FAADS0010	Isomollupentin 7-O-glucoside-2''-O-arabinoside	C31H36O18	696.19016	89648-71-5	knapsack	NA	NA
+FL3FAADS0035	Isovitexin 7-O-xyloside 2''-O-arabinoside	C31H36O18	696.19016	-	knapsack	NA	NA
+FL5FAAGS0039	Kaempferol 3-apiosyl-(1->2)-alpha-L-arabinofuranoside-7-rhamnoside	C31H36O18	696.19016	89946-01-0	knapsack	NA	NA
+FL5FFCGS0023	Haploside C	C31H36O18	696.19016	108279-04-5	knapsack	NA	NA
+MJ090897	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C31H36O18	696.190164	NA	MeJP	NA	NA
+MJ090898	Isomollupentin; 7-O-?-D-Glucopyranoside, 2''-O-?-D-xylopyranoside 	C31H36O18	696.190164	NA	MeJP	NA	NA
+MJ090899	Isomollupentin; 7-O-?-D-Glucopyranoside, 2''-O-?-L-arabinopyranoside 	C31H36O18	696.190164	NA	MeJP	NA	NA
+MJ090900	Isovitexin; 2''-O-Arabinosyl, 7-O-xyloside 	C31H36O18	696.190164	NA	MeJP	NA	NA
+MJ090901	?-Rhamnoisorobin; 3-O-[?-D-Apiofuranosyl-(1?2)-?-L-arabinofuranoside] 	C31H36O18	696.190164	NA	MeJP	NA	NA
+MJ090902	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(6-O-Acetyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C31H37O18(+)	696.190164	NA	MeJP	NA	NA
+MJ090903	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C31H37O18(+)	696.190164	NA	MeJP	NA	NA
+PJ017977	SDDDDM 	C24H36N6O16S	696.1909	NA	PeJP	NA	NA
+PJ017978	PCCDEM 	C25H40N6O11S3	696.1918	NA	PeJP	NA	NA
+MJ090904	Gnetin E; 3''-Hydroxy 	C42H32O10	696.199547	NA	MeJP	NA	NA
+MJ090905	Vitisin E; 8?-Hydroxy 	C42H32O10	696.199547	NA	MeJP	NA	NA
+PJ017979	GCCNDW 	C27H36N8O10S2	696.1996	NA	PeJP	NA	NA
+PJ017980	GSSCNDD 	C23H36N8O15S	696.2021	NA	PeJP	NA	NA
+PJ017981	GSPCCCQ 	C24H40N8O10S3	696.203	NA	PeJP	NA	NA
+MJ090906	2',4,4'-Trihydroxychalcone; 4-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C35H36O15	696.20542	NA	MeJP	NA	NA
+MJ090907	4',7-Dihydroxyflavanone, 4'-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C35H36O15	696.20542	NA	MeJP	NA	NA
+FL1C1AGS0009	Isoliquiritigenin 4-O-(5'''-O-p-coumaroyl)-apiofuranosyl-(1'''->2''')-glucoside;4,2',4'-Trihydroxychalcone 4-O-(5'''-O-p-coumaroyl)-apiofuranosyl-(1'''->2''')-glucoside	C35H36O15	696.20542	202657-29-2	knapsack	NA	NA
+FL2F1AGS0008	Licorice glycoside D1;(2R)-7,4'-Dihydroxyflavanone 4'-[4-p-coumaroylapiosyl-(1->2)-glucoside]	C35H36O15	696.20542	202657-63-4	knapsack	NA	NA
+FL2F1AGS0009	Licorice glycoside D2;(2S)-7,4'-Dihydroxyflavanone 4'-[4-p-coumaroylapiosyl-(1->2)-glucoside]	C35H36O15	696.20542	202657-65-6	knapsack	NA	NA
+MJ090908	Chlorobiocin 	C35H37ClN2O11	696.208587	NA	MeJP	NA	NA
+C12032	Clorobiocin	C35H37ClN2O11	696.2086	NA	KEGG	NA	NA
+PJ017982	GDDEMM 	C25H40N6O13S2	696.2095	NA	PeJP	NA	NA
+MJ090909	Cyclo[isoleucylvalyl-2-[2-[2''-(aminomethyl)[2,4':2',4''-teroxazol]-4-yl]-4-thiazolyl]-5-phenyl-4-oxazolecarbonyl] 	C34H32N8O7S	696.211466	NA	MeJP	NA	NA
+PJ017983	GCCMHF 	C28H40N8O7S3	696.2182	NA	PeJP	NA	NA
+PJ017984	SCNNEM 	C24H40N8O12S2	696.2207	NA	PeJP	NA	NA
+PJ017985	GGGGSCEM 	C24H40N8O12S2	696.2208	NA	PeJP	NA	NA
+PJ017986	GDDDEF 	C28H36N6O15	696.2239	NA	PeJP	NA	NA
+PJ017987	DDMMW 	C29H40N6O10S2	696.2248	NA	PeJP	NA	NA
+FL5FECGS0037	Artemetin 5-glucosyl-(1->4)-rhamnoside	C32H40O17	696.22654	73815-14-2	knapsack	NA	NA
+MJ090910	10-Hydroxyaloin, 1''-O-(3-?-D-Glucopyranosyloxy-2-methylbutanoyl)(2R,3S-) 	C32H40O17	696.226549	NA	MeJP	NA	NA
+MJ090911	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 3'',7-Di-O-?-D-glucopyranoside 	C32H40O17	696.226549	NA	MeJP	NA	NA
+MJ090912	Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?4)-2-O-acetyl-?-L-rhamnopyranoside] 	C32H40O17	696.226549	NA	MeJP	NA	NA
+MJ090913	Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?4)-3-O-acetyl-?-L-rhamnopyranoside] 	C32H40O17	696.226549	NA	MeJP	NA	NA
+MJ090914	Geniposidic acid; 6'-O-[4-Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranosyl], Me ester 	C32H40O17	696.226549	NA	MeJP	NA	NA
+PJ017988	SSDEEM 	C25H40N6O15S	696.2273	NA	PeJP	NA	NA
+PJ017989	SPCEMM 	C26H44N6O10S3	696.2281	NA	PeJP	NA	NA
+PJ017990	GCDEHH 	C26H36N10O11S	696.2286	NA	PeJP	NA	NA
+PJ017991	SCCNDR 	C23H40N10O11S2	696.232	NA	PeJP	NA	NA
+PJ017992	GNNDDY 	C27H36N8O14	696.2351	NA	PeJP	NA	NA
+PJ017993	GSCNMW 	C28H40N8O9S2	696.236	NA	PeJP	NA	NA
+PJ017994	GSSSNDM 	C24H40N8O14S	696.2385	NA	PeJP	NA	NA
+PJ017995	DDDFW 	C32H36N6O12	696.2391	NA	PeJP	NA	NA
+PJ017996	GNNMMM 	C25H44N8O9S3	696.2394	NA	PeJP	NA	NA
+PJ017997	GPDDMY 	C29H40N6O12S	696.2425	NA	PeJP	NA	NA
+PJ017998	PPCCMF 	C30H44N6O7S3	696.2434	NA	PeJP	NA	NA
+PJ017999	CDHHW 	C30H36N10O8S	696.2439	NA	PeJP	NA	NA
+MJ090915	N-[5-[[(3-Amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrole-2-carboxamide 	C32H38Cl2N10O4	696.245455	NA	MeJP	NA	NA
+PJ018000	GTEEMM 	C26H44N6O12S2	696.2459	NA	PeJP	NA	NA
+PJ018001	SSDDHH 	C26H36N10O13	696.2464	NA	PeJP	NA	NA
+PJ018002	GPMMMM 	C27H48N6O7S4	696.2468	NA	PeJP	NA	NA
+PJ018003	PTCCHH 	C27H40N10O8S2	696.2472	NA	PeJP	NA	NA
+MJ090916	Sinapyl alcohol, 1-O-?-D-Glucopyranoside, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C29H44O19	696.247679	NA	MeJP	NA	NA
+PJ018004	GCCQMR 	C24H44N10O8S3	696.2506	NA	PeJP	NA	NA
+PJ018005	SSSCQW 	C28H40N8O11S	696.2537	NA	PeJP	NA	NA
+PJ018006	GGSSTCW 	C28H40N8O11S	696.2538	NA	PeJP	NA	NA
+PJ018007	SSSSSNE 	C24H40N8O16	696.2562	NA	PeJP	NA	NA
+PJ018008	GGSSSSTD 	C24H40N8O16	696.2563	NA	PeJP	NA	NA
+PJ018009	SSNQMM 	C25H44N8O11S2	696.2571	NA	PeJP	NA	NA
+PJ018010	PCEYW 	C33H40N6O9S	696.2578	NA	PeJP	NA	NA
+PJ018011	QEEEY 	C29H40N6O14	696.2603	NA	PeJP	NA	NA
+PJ018012	TEMMW 	C30H44N6O9S2	696.2611	NA	PeJP	NA	NA
+PJ018013	GPDMMF 	C30H44N6O9S2	696.2612	NA	PeJP	NA	NA
+PJ018014	GCCCRR 	C23H44N12O7S3	696.2618	NA	PeJP	NA	NA
+MJ090917	Arctigenin, O-?-Gentiobioside 	C33H44O16	696.262935	NA	MeJP	NA	NA
+PJ018015	STTEEM 	C26H44N6O14S	696.2636	NA	PeJP	NA	NA
+PJ018016	GVEMMM 	C27H48N6O9S3	696.2645	NA	PeJP	NA	NA
+PJ018017	GSEMHH 	C27H40N10O10S	696.265	NA	PeJP	NA	NA
+PJ018018	SSCNMR 	C24H44N10O10S2	696.2683	NA	PeJP	NA	NA
+PJ018019	GGSSCMR 	C24H44N10O10S2	696.2684	NA	PeJP	NA	NA
+PJ018020	CNQFW 	C32H40N8O8S	696.269	NA	PeJP	NA	NA
+PJ018021	GSSSSSW 	C28H40N8O13	696.2715	NA	PeJP	NA	NA
+FL1DA9NC0015	2',4'-Dihydroxy-6'-methoxy-3'-(2-hydroxybenzyl)-5'-(3 x 2-hydroxybenzyl)dihydrochalcone	C44H40O8	696.27231	192222-56-3	knapsack	NA	NA
+MJ090918	5'''-[3-(2-Hydroxybenzyl)-2-hydroxybenzyl]isodiuvaretin 	C44H40O8	696.272318	NA	MeJP	NA	NA
+MJ090919	5''-[5-(2-Hydroxybenzyl)-2-hydroxybenzyl]diuvaretin 	C44H40O8	696.272318	NA	MeJP	NA	NA
+PJ018022	GTCCKW 	C29H44N8O8S2	696.2724	NA	PeJP	NA	NA
+MJ090920	3-[[6-[[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]amino]-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]oxy]-N-[2-(1-methylethyl)phenyl]propanamide 	C37H40N6O6S	696.273003	NA	MeJP	NA	NA
+PJ018023	GSSSTQM 	C25H44N8O13S	696.2749	NA	PeJP	NA	NA
+PJ018024	AEEYW 	C33H40N6O11	696.2755	NA	PeJP	NA	NA
+PJ018025	EMMMR 	C26H48N8O8S3	696.2757	NA	PeJP	NA	NA
+PJ018026	GCQKMM 	C26H48N8O8S3	696.2758	NA	PeJP	NA	NA
+MJ090921	12,17-Epoxy-2,5,7,9,10,11-hexahydroxy-4(20)-taxen-13-one; 5-Cinnamoyl, 2,7,9,10-tetra-Ac 	C37H44O13	696.278191	NA	MeJP	NA	NA
+MJ090922	Meliacarpinin; 11-Methoxy, 1-cinnamoyl 	C37H44O13	696.278191	NA	MeJP	NA	NA
+MJ090923	Urdamycin B 	C37H44O13	696.278191	NA	MeJP	NA	NA
+C12406	Urdamycin B	C37H44O13	696.2782	NA	KEGG	NA	NA
+PJ018027	GPTEMY 	C30H44N6O11S	696.2789	NA	PeJP	NA	NA
+PJ018028	VMMMW 	C31H48N6O6S3	696.2798	NA	PeJP	NA	NA
+PJ018029	SMHHW 	C31H40N10O7S	696.2802	NA	PeJP	NA	NA
+PJ018030	GPCHHF 	C31H40N10O7S	696.2803	NA	PeJP	NA	NA
+PJ018031	SSLEMM 	C27H48N6O11S2	696.2823	NA	PeJP	NA	NA
+PJ018032	SSTEHH 	C27H40N10O12	696.2827	NA	PeJP	NA	NA
+PJ018033	GGSPNEH 	C27H40N10O12	696.2828	NA	PeJP	NA	NA
+PJ018034	AAMMHH 	C28H44N10O7S2	696.2836	NA	PeJP	NA	NA
+PJ018035	GSSSTCR 	C24H44N10O12S	696.2861	NA	PeJP	NA	NA
+PJ018036	SNQYW 	C32H40N8O10	696.2867	NA	PeJP	NA	NA
+PJ018037	GGSQYW 	C32H40N8O10	696.2868	NA	PeJP	NA	NA
+PJ018038	GCCKMR 	C25H48N10O7S3	696.287	NA	PeJP	NA	NA
+PJ018039	SSSCKW 	C29H44N8O10S	696.2901	NA	PeJP	NA	NA
+PJ018040	GGGGGVMY 	C29H44N8O10S	696.2902	NA	PeJP	NA	NA
+PJ018041	SSSSSDK 	C25H44N8O15	696.2926	NA	PeJP	NA	NA
+PJ018042	SSNKMM 	C26H48N8O10S2	696.2935	NA	PeJP	NA	NA
+PJ018043	GNNQQH 	C26H40N12O11	696.294	NA	PeJP	NA	NA
+PJ018044	PTMYW 	C34H44N6O8S	696.2941	NA	PeJP	NA	NA
+PJ018045	VDMFW 	C34H44N6O8S	696.2942	NA	PeJP	NA	NA
+PJ018046	SPTTEY 	C30H44N6O13	696.2966	NA	PeJP	NA	NA
+PJ018047	KEEEY 	C30H44N6O13	696.2967	NA	PeJP	NA	NA
+PJ018048	GPVMMY 	C31H48N6O8S2	696.2975	NA	PeJP	NA	NA
+PJ018049	GSPNHW 	C31H40N10O9	696.298	NA	PeJP	NA	NA
+PJ018050	ATLMMM 	C28H52N6O8S3	696.3009	NA	PeJP	NA	NA
+PJ018051	NNMRY 	C28H44N10O9S	696.3014	NA	PeJP	NA	NA
+PJ018052	SSSSSSR 	C24H44N10O14	696.3039	NA	PeJP	NA	NA
+PJ018053	STCCKR 	C25H48N10O9S2	696.3047	NA	PeJP	NA	NA
+PJ018054	CNKFW 	C33H44N8O7S	696.3054	NA	PeJP	NA	NA
+PJ018055	TEERY 	C29H44N8O12	696.3079	NA	PeJP	NA	NA
+MJ090924	2,2',3,3'-Tetrahydro-3,3',6,7,7',8'-hexamethoxy-4-(4-methoxyphenyl)-4'-phenyl-5,6'-bi-1H-phenalene 	C45H44O7	696.308703	NA	MeJP	NA	NA
+PJ018056	PMMRY 	C30H48N8O7S2	696.3088	NA	PeJP	NA	NA
+PJ018057	GSSSTKM 	C26H48N8O12S	696.3113	NA	PeJP	NA	NA
+PJ018058	SLEYW 	C34H44N6O10	696.3119	NA	PeJP	NA	NA
+PJ018059	GCKKMM 	C27H52N8O7S3	696.3121	NA	PeJP	NA	NA
+PJ018060	GPCQHR 	C27H44N12O8S	696.3126	NA	PeJP	NA	NA
+PJ018061	AHHFW 	C35H40N10O6	696.3133	NA	PeJP	NA	NA
+MJ090925	Zaragozic acid C; Deacetoxy 	C38H48O12	696.314577	NA	MeJP	NA	NA
+PJ018062	AALEMY 	C31H48N6O10S	696.3153	NA	PeJP	NA	NA
+PJ018063	TTTLMM 	C28H52N6O10S2	696.3187	NA	PeJP	NA	NA
+PJ018064	GSSQRY 	C28H44N10O11	696.3191	NA	PeJP	NA	NA
+PJ018065	GGGGALEH 	C28H44N10O11	696.3192	NA	PeJP	NA	NA
+PJ018066	SNKYW 	C33H44N8O9	696.3231	NA	PeJP	NA	NA
+PJ018067	GGSKYW 	C33H44N8O9	696.3232	NA	PeJP	NA	NA
+PJ018068	VEMRY 	C30H48N8O9S	696.3265	NA	PeJP	NA	NA
+PJ018069	PTFFW 	C38H44N6O7	696.3272	NA	PeJP	NA	NA
+PJ018070	SSSSTTK 	C26H48N8O14	696.329	NA	PeJP	NA	NA
+PJ018071	STCKKM 	C27H52N8O9S2	696.3299	NA	PeJP	NA	NA
+PJ018072	QQEHR 	C27H44N12O10	696.3304	NA	PeJP	NA	NA
+PJ018073	VVMYW 	C35H48N6O7S	696.3305	NA	PeJP	NA	NA
+PJ018074	GPVMFF 	C35H48N6O7S	696.3306	NA	PeJP	NA	NA
+PJ018075	ATTLEY 	C31H48N6O12	696.333	NA	PeJP	NA	NA
+PJ018076	GVLMMF 	C32H52N6O7S2	696.3339	NA	PeJP	NA	NA
+PJ018077	VQQHW 	C32H44N10O8	696.3344	NA	PeJP	NA	NA
+MJ090926	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C35H52O14	696.335706	NA	MeJP	NA	NA
+MJ090927	3,14-Dihydroxycarda-5,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C35H52O14	696.335706	NA	MeJP	NA	NA
+MJ090928	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H52O14	696.335706	NA	MeJP	NA	NA
+MJ090929	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-Bioside (1) 	C35H52O14	696.335706	NA	MeJP	NA	NA
+MJ090930	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H52O14	696.335706	NA	MeJP	NA	NA
+MJ090931	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] 	C35H52O14	696.335706	NA	MeJP	NA	NA
+MJ090932	Adociasulfate 8 	C36H56O9S2	696.336574	NA	MeJP	NA	NA
+PJ018078	CQKRY 	C29H48N10O8S	696.3377	NA	PeJP	NA	NA
+PJ018079	GACKRY 	C29H48N10O8S	696.3378	NA	PeJP	NA	NA
+MJ090933	Thalicarpine 	C41H48N2O8	696.341066	NA	MeJP	NA	NA
+MJ090934	Thalifaberine 	C41H48N2O8	696.341066	NA	MeJP	NA	NA
+MJ090935	Thalirevolutine 	C41H48N2O8	696.341066	NA	MeJP	NA	NA
+MJ090936	Thalistine; O5-Me ether, N2-Me 	C41H49N2O8(+)	696.341066	NA	MeJP	NA	NA
+C09655	Thalicarpine	C41H48N2O8	696.3411	NA	KEGG	NA	NA
+PJ018080	NDHRR 	C26H44N14O9	696.3416	NA	PeJP	NA	NA
+PJ018081	PMFFR 	C34H48N8O6S	696.3418	NA	PeJP	NA	NA
+PJ018082	GSDKKY 	C30H48N8O11	696.3443	NA	PeJP	NA	NA
+PJ018083	LMMFR 	C31H52N8O6S2	696.3452	NA	PeJP	NA	NA
+PJ018084	AQHRW 	C31H44N12O7	696.3456	NA	PeJP	NA	NA
+PJ018085	AAPLYY 	C35H48N6O9	696.3483	NA	PeJP	NA	NA
+PJ018086	GPCKHR 	C28H48N12O7S	696.349	NA	PeJP	NA	NA
+MJ090937	Kraussianin; 12-Acetyloxy, 28-deoxy 	C39H52O11	696.350962	NA	MeJP	NA	NA
+MJ090938	Kraussianin; 21-Epimer, 12-acetyloxy, 28-deoxy 	C39H52O11	696.350962	NA	MeJP	NA	NA
+MJ090939	Kraussianin; 28-Ac 	C39H52O11	696.350962	NA	MeJP	NA	NA
+PJ018087	GTLLMY 	C32H52N6O9S	696.3517	NA	PeJP	NA	NA
+PJ018088	GSSKRY 	C29H48N10O10	696.3555	NA	PeJP	NA	NA
+PJ018089	LLEHW 	C34H48N8O8	696.3595	NA	PeJP	NA	NA
+PJ018090	QKKMY 	C31H52N8O8S	696.3629	NA	PeJP	NA	NA
+PJ018091	VVFFW 	C39H48N6O6	696.3636	NA	PeJP	NA	NA
+PJ018092	QKEHR 	C28H48N12O9	696.3667	NA	PeJP	NA	NA
+PJ018093	GPPDRR 	C28H48N12O9	696.3668	NA	PeJP	NA	NA
+PJ018094	STTLLY 	C32H52N6O11	696.3694	NA	PeJP	NA	NA
+PJ018095	AAPPRW 	C33H48N10O7	696.3708	NA	PeJP	NA	NA
+MJ090940	2,3,19,24-Tetrahydroxy-12-ursene-23,28-dioic acid, 28-O-?-D-Glucopyranosyl ester 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090941	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090942	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090943	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090944	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090945	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-glucopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090946	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090947	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090948	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090949	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+MJ090950	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H56O13	696.372091	NA	MeJP	NA	NA
+PJ018096	CKKRY 	C30H52N10O7S	696.3741	NA	PeJP	NA	NA
+PJ018097	PPPCKR 	C30H52N10O7S	696.3742	NA	PeJP	NA	NA
+PJ018098	TQHRR 	C27H48N14O8	696.378	NA	PeJP	NA	NA
+PJ018099	GTTKKY 	C31H52N8O10	696.3807	NA	PeJP	NA	NA
+PJ018100	AKHRW 	C32H48N12O6	696.382	NA	PeJP	NA	NA
+MJ090951	Hibispeptin B 	C36H52N6O8	696.384662	NA	MeJP	NA	NA
+PJ018101	AALLFY 	C36H52N6O8	696.3847	NA	PeJP	NA	NA
+MJ090952	Antibiotic VM 44866; 26-(Tigloyloxy), 5-Me ether 	C40H56O10	696.387348	NA	MeJP	NA	NA
+MJ090953	Clerocidin 	C40H56O10	696.387348	NA	MeJP	NA	NA
+MJ090954	Myrtucommulone C 	C40H56O10	696.387348	NA	MeJP	NA	NA
+PJ018102	APPKER 	C30H52N10O9	696.3919	NA	PeJP	NA	NA
+MJ090955	Fla-P3; 3-Chloro 	C45H57ClO4	696.394538	NA	MeJP	NA	NA
+MJ090956	Desotamide 	C35H52N8O7	696.395896	NA	MeJP	NA	NA
+PJ018103	GPPLKW 	C35H52N8O7	696.3959	NA	PeJP	NA	NA
+PJ018104	KKKMY 	C32H56N8O7S	696.3993	NA	PeJP	NA	NA
+PJ018105	APPTRR 	C29H52N12O8	696.4031	NA	PeJP	NA	NA
+PJ018106	VKKHW 	C34H52N10O6	696.4072	NA	PeJP	NA	NA
+MJ090957	16,23-Epoxycycloartane-3,7,15,16,24,25-hexol, 3-O-?-D-Xylopyranoside, 24-Ac 	C37H60O12	696.408477	NA	MeJP	NA	NA
+MJ090958	3,20,25,28-Tetrahydroxystigmastane-6,16-dione, 3-O-?-D-Glucopyranoside, 28-Ac 	C37H60O12	696.408477	NA	MeJP	NA	NA
+MJ090959	3-Hydroxy-23,24,25,26,27-pentanorcucurbit-5-en-22-al, 3-O-[?-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C37H60O12	696.408477	NA	MeJP	NA	NA
+MJ090960	Bufogenin; 3-O-(Argininylsuberoyl) 	C38H56N4O8	696.409814	NA	MeJP	NA	NA
+PJ018107	TKHRR 	C28H52N14O7	696.4144	NA	PeJP	NA	NA
+PJ018108	TTLLLH 	C32H56N8O9	696.4171	NA	PeJP	NA	NA
+MJ090961	Bisandrographolide D 	C41H60O9	696.423733	NA	MeJP	NA	NA
+MJ090962	Lasonolide A 	C41H60O9	696.423733	NA	MeJP	NA	NA
+MJ090963	Secamine; 15,15',20,20'-Tetrahydro, 16-hydroxy 	C42H56N4O5	696.42507	NA	MeJP	NA	NA
+PJ018109	SPPLKR 	C31H56N10O8	696.4283	NA	PeJP	NA	NA
+PJ018110	KKKFF 	C36H56N8O6	696.4323	NA	PeJP	NA	NA
+PJ018111	GPVLRR 	C30H56N12O7	696.4395	NA	PeJP	NA	NA
+PJ018112	PLLLLE 	C34H60N6O9	696.4422	NA	PeJP	NA	NA
+MJ090964	20,24-Epoxydammarane-3,12,17,25-tetrol, 12-Ac, 3-O-?-D-glucopyranoside 	C38H64O11	696.444862	NA	MeJP	NA	NA
+MJ090965	Cumingianoside G; 3-Ac 	C38H64O11	696.444862	NA	MeJP	NA	NA
+MJ090966	Cumingianoside G; 6'-Ac 	C38H64O11	696.444862	NA	MeJP	NA	NA
+MJ090967	Dammar-23-ene-1,2,3,20,25-pentol, 3-O-(6-O-Acetyl-?-D-glucopyranoside) 	C38H64O11	696.444862	NA	MeJP	NA	NA
+MJ090968	Dammar-25-ene-1,2,3,20,24-pentol, 3-O-[2-O-Acetyl-?-D-glucopyranoside] 	C38H64O11	696.444862	NA	MeJP	NA	NA
+MJ090969	Dammar-25-ene-1,2,3,20,24-pentol, 3-O-[6-O-Acetyl-?-D-glucopyranoside] 	C38H64O11	696.444862	NA	MeJP	NA	NA
+PJ018113	PLRRR 	C29H56N14O6	696.4508	NA	PeJP	NA	NA
+PJ018114	PVLLQK 	C33H60N8O8	696.4534	NA	PeJP	NA	NA
+PJ018115	GGPLLLK 	C33H60N8O8	696.4535	NA	PeJP	NA	NA
+PJ018116	APLLKR 	C32H60N10O7	696.4647	NA	PeJP	NA	NA
+PJ018117	PVLLKK 	C34H64N8O7	696.4898	NA	PeJP	NA	NA
+PJ018118	LLLLLL 	C36H68N6O7	696.515	NA	PeJP	NA	NA
+C05814	2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone	C48H72O3	696.5481	NA	KEGG	NA	NA
+MetaCyc04062	2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone []	C48H72O3	696.548146	NA	metacyc	NA	NA
+MJ090970	Antibiotic WA 8242; Antibiotic WA 8242B 	C40H76N2O7	696.565252	NA	MeJP	NA	NA
+HMDB07382	DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07409	DG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07410	DG(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07437	DG(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07523	DG(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07552	DG(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07580	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07636	DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07663	DG(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07664	DG(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07689	DG(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07717	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07746	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z)/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB07774	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0/0:0)	C45H76O5	696.569275	NA	HMDB2010	NA	NA
+HMDB06733	Cholesteryl docosahexaenoic acid	C49H76O2	696.58453	http://www.hmdb.ca/metabolites/HMDB06733	HMDB	NA	NA
+HMDB06733	Cholesteryl docosahexaenoic acid	C49H76O2	696.58453	HMDB06733	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06733	CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H76O2	696.584534	NA	HMDB2010	NA	NA
+MJ090971	12-Oleanene-3,16,28-triol, 3-Hexadecanoyl 	C46H80O4	696.605661	NA	MeJP	NA	NA
+MJ090972	20(29)-Lupene-3,16,28-triol, 3-Hexadecanoyl 	C46H80O4	696.605661	NA	MeJP	NA	NA
+MJ090973	20(29)-Lupene-3,7,15-triol, 3-Hexadecanoyl 	C46H80O4	696.605661	NA	MeJP	NA	NA
+MJ090974	20-Taraxastene-3,16,22-triol, 3-Hexadecanoyl 	C46H80O4	696.605661	NA	MeJP	NA	NA
+FL7AACDL0001	Cyanidin 3-(6-malonylglucoside)-8-C-glucoside	C30H33O19	697.1616	617713-30-1	knapsack	NA	NA
+FL7AACGL0034	Cyanidin 3-(6''-malonyllaminaribioside)	C30H33O19	697.1616	157201-93-9	knapsack	NA	NA
+FL7AACGL0044	Cyanidin 3-(6''-malonylglucoside)-5-glucoside	C30H33O19	697.1616	104055-86-9	knapsack	NA	NA
+FL7AAGGL0043	Delphinidin 3-(2-rhamnosyl-6-malonylglucoside)	C30H33O19	697.1616	639035-75-9	knapsack	NA	NA
+PJ018119	CCNDDE 	C23H35N7O14S2	697.1684	NA	PeJP	NA	NA
+MJ090975	8-(Bromomethyl)-3,6,7,8-tetrahydro-2-methyl-4-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]benzo[1,2-b:4,3-b']dipyrrole-1-carboxylic acid, Me ester 	C32H36BrN5O8	697.174725	NA	MeJP	NA	NA
+PJ018120	GCCDDW 	C27H35N7O11S2	697.1836	NA	PeJP	NA	NA
+PJ018121	GSSCDDD 	C23H35N7O16S	697.1861	NA	PeJP	NA	NA
+PJ018122	GSPCCCE 	C24H39N7O11S3	697.187	NA	PeJP	NA	NA
+FL7AAIGL0016	Malvidin 3-(6''-acetylglucoside)-5-glucoside	C31H37O18	697.19798	164266-06-2	knapsack	NA	NA
+PJ018123	CCNNNM 	C23H39N9O10S3	697.1982	NA	PeJP	NA	NA
+PJ018124	GGGGGGCCM 	C23H39N9O10S3	697.1983	NA	PeJP	NA	NA
+MJ090976	Antibiotic SF 2446A1 	C34H35NO15	697.200669	NA	MeJP	NA	NA
+PJ018125	SPCCCW 	C28H39N7O8S3	697.2022	NA	PeJP	NA	NA
+PJ018126	SSSPCCD 	C24H39N7O13S2	697.2047	NA	PeJP	NA	NA
+PJ018127	SCNDEM 	C24H39N7O13S2	697.2048	NA	PeJP	NA	NA
+PJ018128	PCCNMM 	C25H43N7O8S4	697.2056	NA	PeJP	NA	NA
+PJ018129	SCCDDR 	C23H39N9O12S2	697.216	NA	PeJP	NA	NA
+PJ018130	GNDDDY 	C27H35N7O15	697.2191	NA	PeJP	NA	NA
+PJ018131	GGGDDDY 	C27H35N7O15	697.2192	NA	PeJP	NA	NA
+PJ018132	GSCDMW 	C28H39N7O10S2	697.22	NA	PeJP	NA	NA
+PJ018133	GSSSDDM 	C24H39N7O15S	697.2225	NA	PeJP	NA	NA
+PJ018134	GNDMMM 	C25H43N7O10S3	697.2234	NA	PeJP	NA	NA
+PJ018135	CCFYY 	C33H39N5O8S2	697.224	NA	PeJP	NA	NA
+MJ090977	Dactylocycline A 	C31H40ClN3O13	697.224966	NA	MeJP	NA	NA
+PJ018136	SSSSCNN 	C23H39N9O14S	697.2337	NA	PeJP	NA	NA
+PJ018137	GGGGSSSSC 	C23H39N9O14S	697.2338	NA	PeJP	NA	NA
+PJ018138	GCCEMR 	C24H43N9O9S3	697.2346	NA	PeJP	NA	NA
+PJ018139	TCCWW 	C32H39N7O7S2	697.2353	NA	PeJP	NA	NA
+MJ090978	Alangiside; O-De-Me, 2'-(4-hydroxy-3,5-dimethoxycinnamoyl)(E-) 	C35H39NO14	697.237054	NA	MeJP	NA	NA
+MJ090979	Alangiside; O-De-Me, 6'-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C35H39NO14	697.237054	NA	MeJP	NA	NA
+PJ018140	SSSCEW 	C28H39N7O12S	697.2378	NA	PeJP	NA	NA
+PJ018141	CQMMW 	C29H43N7O7S3	697.2386	NA	PeJP	NA	NA
+PJ018142	SSSSSDE 	C24H39N7O17	697.2403	NA	PeJP	NA	NA
+PJ018143	SSNEMM 	C25H43N7O12S2	697.2411	NA	PeJP	NA	NA
+PJ018144	SCYYY 	C33H39N5O10S	697.2418	NA	PeJP	NA	NA
+PJ018145	GCNMHH 	C26H39N11O8S2	697.2425	NA	PeJP	NA	NA
+PJ018146	EEEEY 	C29H39N5O15	697.2443	NA	PeJP	NA	NA
+PJ018147	GCNNQY 	C27H39N9O11S	697.249	NA	PeJP	NA	NA
+PJ018148	CCMRW 	C28H43N9O6S3	697.2499	NA	PeJP	NA	NA
+PJ018149	SSCDMR 	C24H43N9O11S2	697.2524	NA	PeJP	NA	NA
+PJ018150	CNEFW 	C32H39N7O9S	697.253	NA	PeJP	NA	NA
+PJ018151	GSNEEY 	C28H39N7O14	697.2555	NA	PeJP	NA	NA
+PJ018152	GSSMMW 	C29H43N7O9S2	697.2564	NA	PeJP	NA	NA
+PJ018153	GSSSTEM 	C25H43N7O14S	697.2589	NA	PeJP	NA	NA
+PJ018154	GTQMMM 	C26H47N7O9S3	697.2598	NA	PeJP	NA	NA
+PJ018155	SSCQHH 	C26H39N11O10S	697.2602	NA	PeJP	NA	NA
+PJ018156	GGGGPCNH 	C26H39N11O10S	697.2603	NA	PeJP	NA	NA
+PJ018157	SSNNNY 	C27H39N9O13	697.2667	NA	PeJP	NA	NA
+PJ018158	GGSSNNY 	C27H39N9O13	697.2668	NA	PeJP	NA	NA
+PJ018159	GPCCRY 	C28H43N9O8S2	697.2676	NA	PeJP	NA	NA
+PJ018160	GCFWW 	C36H39N7O6S	697.2683	NA	PeJP	NA	NA
+PJ018161	SNEYW 	C32H39N7O11	697.2708	NA	PeJP	NA	NA
+PJ018162	GTCMMR 	C25H47N9O8S3	697.271	NA	PeJP	NA	NA
+MJ090980	Prelissoclinamide 2 	C33H43N7O6S2	697.271623	NA	MeJP	NA	NA
+MJ090981	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 2-(2-methylpropanoyl), 1,14-di-Ac 	C36H43NO13	697.27344	NA	MeJP	NA	NA
+PJ018163	SSSTMW 	C29H43N7O11S	697.2741	NA	PeJP	NA	NA
+PJ018164	GAQEMY 	C29H43N7O11S	697.2742	NA	PeJP	NA	NA
+PJ018165	CKMMW 	C30H47N7O6S3	697.275	NA	PeJP	NA	NA
+PJ018166	SSSSTTE 	C25H43N7O16	697.2766	NA	PeJP	NA	NA
+PJ018167	SSDKMM 	C26H47N7O11S2	697.2775	NA	PeJP	NA	NA
+PJ018168	GSSSSHH 	C26H39N11O12	697.278	NA	PeJP	NA	NA
+PJ018169	ACCKHH 	C27H43N11O7S2	697.2789	NA	PeJP	NA	NA
+PJ018170	GSPDHW 	C31H39N9O10	697.282	NA	PeJP	NA	NA
+PJ018171	NDMRY 	C28H43N9O10S	697.2854	NA	PeJP	NA	NA
+PJ018172	GSYWW 	C36H39N7O8	697.286	NA	PeJP	NA	NA
+PJ018173	MHHHH 	C29H39N13O6S	697.2867	NA	PeJP	NA	NA
+PJ018174	SSSMMR 	C25H47N9O10S2	697.2887	NA	PeJP	NA	NA
+PJ018175	AQMYW 	C33H43N7O8S	697.2894	NA	PeJP	NA	NA
+PJ018176	GSDKEY 	C29H43N7O13	697.2919	NA	PeJP	NA	NA
+PJ018177	GPCKMY 	C30H47N7O8S2	697.2928	NA	PeJP	NA	NA
+PJ018178	NNQHW 	C30H39N11O9	697.2932	NA	PeJP	NA	NA
+PJ018179	GGNQHW 	C30H39N11O9	697.2933	NA	PeJP	NA	NA
+PJ018180	SSSSSLM 	C26H47N7O13S	697.2953	NA	PeJP	NA	NA
+PJ018181	ASKMMM 	C27H51N7O8S3	697.2961	NA	PeJP	NA	NA
+PJ018182	GTKMMM 	C27H51N7O8S3	697.2962	NA	PeJP	NA	NA
+PJ018183	GPCEHR 	C27H43N11O9S	697.2966	NA	PeJP	NA	NA
+PJ018184	ACRYW 	C32H43N9O7S	697.3006	NA	PeJP	NA	NA
+PJ018185	GAPMHW 	C32H43N9O7S	697.3007	NA	PeJP	NA	NA
+PJ018186	GSSERY 	C28H43N9O12	697.3031	NA	PeJP	NA	NA
+PJ018187	GVQEEH 	C28H43N9O12	697.3032	NA	PeJP	NA	NA
+PJ018188	NMMFR 	C29H47N9O7S2	697.304	NA	PeJP	NA	NA
+PJ018189	GPNHHH 	C29H39N13O8	697.3045	NA	PeJP	NA	NA
+PJ018190	SDKYW 	C33H43N7O10	697.3072	NA	PeJP	NA	NA
+C12044	Rifamycin	C37H47NO12	697.3098	NA	KEGG	NA	NA
+MJ090982	Damavaricin D 	C37H47NO12	697.309825	NA	MeJP	NA	NA
+MJ090983	Rifamycin S; 16,17-Dihydro 	C37H47NO12	697.309825	NA	MeJP	NA	NA
+MJ090984	Rifamycin SV 	C37H47NO12	697.309825	NA	MeJP	NA	NA
+PJ018191	QKEMY 	C30H47N7O10S	697.3105	NA	PeJP	NA	NA
+PJ018192	PCHRW 	C31H43N11O6S	697.3119	NA	PeJP	NA	NA
+PJ018193	SSTTTTT 	C26H47N7O15	697.313	NA	PeJP	NA	NA
+PJ018194	STTKMM 	C27H51N7O10S2	697.3139	NA	PeJP	NA	NA
+PJ018195	QEEHR 	C27H43N11O11	697.3144	NA	PeJP	NA	NA
+PJ018196	SSRYW 	C32H43N9O9	697.3184	NA	PeJP	NA	NA
+PJ018197	TQMRY 	C29H47N9O9S	697.3218	NA	PeJP	NA	NA
+PJ018198	AQFFW 	C37H43N7O7	697.3224	NA	PeJP	NA	NA
+PJ018199	DDHRR 	C26H43N13O10	697.3256	NA	PeJP	NA	NA
+PJ018200	AKMYW 	C34H47N7O7S	697.3258	NA	PeJP	NA	NA
+PJ018201	GTTKEY 	C30H47N7O12	697.3283	NA	PeJP	NA	NA
+PJ018202	AAKMMF 	C31H51N7O7S2	697.3292	NA	PeJP	NA	NA
+PJ018203	AEHRW 	C31H43N11O8	697.3296	NA	PeJP	NA	NA
+MJ090985	Tetrin A; 4-Hydroxy 	C34H51NO14	697.330955	NA	MeJP	NA	NA
+PJ018204	TCRRY 	C28H47N11O8S	697.333	NA	PeJP	NA	NA
+PJ018205	GLHWW 	C36H43N9O6	697.3337	NA	PeJP	NA	NA
+PJ018206	PKMHW 	C33H47N9O6S	697.337	NA	PeJP	NA	NA
+PJ018207	GTTTRY 	C29H47N9O11	697.3395	NA	PeJP	NA	NA
+PJ018208	GGGGGSPPL 	C29H47N9O11	697.3396	NA	PeJP	NA	NA
+PJ018209	TTKYW 	C34H47N7O9	697.3435	NA	PeJP	NA	NA
+PJ018210	GPPLEW 	C34H47N7O9	697.3436	NA	PeJP	NA	NA
+PJ018211	KKEMY 	C31H51N7O9S	697.3469	NA	PeJP	NA	NA
+PJ018212	KEEHR 	C28H47N11O10	697.3508	NA	PeJP	NA	NA
+MJ090986	Cyclotheonamide D 	C33H47N9O8	697.354759	NA	MeJP	NA	NA
+PJ018213	VKEHW 	C33H47N9O8	697.3548	NA	PeJP	NA	NA
+PJ018214	TKMRY 	C30H51N9O8S	697.3581	NA	PeJP	NA	NA
+PJ018215	PPPTMR 	C30H51N9O8S	697.3582	NA	PeJP	NA	NA
+PJ018216	PPLWW 	C38H47N7O6	697.3588	NA	PeJP	NA	NA
+PJ018217	TEHRR 	C27H47N13O9	697.362	NA	PeJP	NA	NA
+PJ018218	SSTLKY 	C31H51N7O11	697.3647	NA	PeJP	NA	NA
+PJ018219	SLHRW 	C32H47N11O7	697.366	NA	PeJP	NA	NA
+MJ090987	Gerobriecin 	C35H55NO13	697.36734	NA	MeJP	NA	NA
+MJ090988	Microginin T1; Dechloro 	C36H51N5O9	697.368678	NA	MeJP	NA	NA
+PJ018220	AALMHR 	C29H51N11O7S	697.3694	NA	PeJP	NA	NA
+PJ018221	SPPLER 	C30H51N9O10	697.3759	NA	PeJP	NA	NA
+PJ018222	SPPVLW 	C35H51N7O8	697.3799	NA	PeJP	NA	NA
+PJ018223	GAPPPLF 	C35H51N7O8	697.38	NA	PeJP	NA	NA
+PJ018224	VMHRR 	C28H51N13O6S	697.3806	NA	PeJP	NA	NA
+PJ018225	PPLLQM 	C32H55N7O8S	697.3833	NA	PeJP	NA	NA
+PJ018226	ATTLHR 	C29H51N11O9	697.3871	NA	PeJP	NA	NA
+PJ018227	SSVLHR 	C29H51N11O9	697.3872	NA	PeJP	NA	NA
+MJ090989	Lyngbyapeptin A 	C37H55N5O6S	697.387305	NA	MeJP	NA	NA
+PJ018228	TKFFR 	C34H51N9O7	697.3912	NA	PeJP	NA	NA
+PJ018229	PPVVMR 	C31H55N9O7S	697.3946	NA	PeJP	NA	NA
+PJ018230	AAPQRR 	C28H51N13O8	697.3984	NA	PeJP	NA	NA
+PJ018231	PVLLQE 	C32H55N7O10	697.4011	NA	PeJP	NA	NA
+MJ090990	Mycinamycin II; 14-Deoxy, 3B-O-de-Me 	C36H59NO12	697.403726	NA	MeJP	NA	NA
+MJ090991	Mycinamycin VI; 14?-Hydroxy, 2''-Me ether 	C36H59NO12	697.403726	NA	MeJP	NA	NA
+MJ090992	Mycinamycin XIV 	C36H59NO12	697.403726	NA	MeJP	NA	NA
+PJ018232	PNRRR 	C27H51N15O7	697.4096	NA	PeJP	NA	NA
+PJ018233	APLLER 	C31H55N9O9	697.4123	NA	PeJP	NA	NA
+PJ018234	GPLLLW 	C36H55N7O7	697.4163	NA	PeJP	NA	NA
+PJ018235	PPLLKM 	C33H59N7O7S	697.4197	NA	PeJP	NA	NA
+PJ018236	GPLQKR 	C30H55N11O8	697.4235	NA	PeJP	NA	NA
+PJ018237	GGAPLKR 	C30H55N11O8	697.4236	NA	PeJP	NA	NA
+PJ018238	AAPKRR 	C29H55N13O7	697.4348	NA	PeJP	NA	NA
+PJ018239	PVLLKE 	C33H59N7O9	697.4375	NA	PeJP	NA	NA
+MJ090993	Mycinamycin VI; 9-Alcohol, 2'',3''-di-Me ether 	C37H63NO11	697.440111	NA	MeJP	NA	NA
+PJ018240	SPLLLR 	C32H59N9O8	697.4487	NA	PeJP	NA	NA
+PJ018241	GPLKKR 	C31H59N11O7	697.4599	NA	PeJP	NA	NA
+MJ090994	Kailuin; !Kailuin A 	C35H63N5O9	697.462578	NA	MeJP	NA	NA
+HMDB08898	PE(15:0/18:4(6Z,9Z,12Z,15Z))	C38H68NO8P	697.468262	NA	HMDB2010	NA	NA
+HMDB09186	PE(18:4(6Z,9Z,12Z,15Z)/15:0)	C38H68NO8P	697.468262	NA	HMDB2010	NA	NA
+PJ018242	VLLLLQ 	C34H63N7O8	697.4738	NA	PeJP	NA	NA
+PJ018243	GGLLLLL 	C34H63N7O8	697.4739	NA	PeJP	NA	NA
+PJ018244	ALLLLR 	C33H63N9O7	697.4851	NA	PeJP	NA	NA
+HMDB09147	PE(18:3(6Z,9Z,12Z)/P-16:0)	C39H72NO7P	697.504639	NA	HMDB2010	NA	NA
+HMDB09180	PE(18:3(9Z,12Z,15Z)/P-16:0)	C39H72NO7P	697.504639	NA	HMDB2010	NA	NA
+HMDB11344	PE(P-16:0/18:3(6Z,9Z,12Z))	C39H72NO7P	697.504639	NA	HMDB2010	NA	NA
+HMDB11345	PE(P-16:0/18:3(9Z,12Z,15Z))	C39H72NO7P	697.504639	NA	HMDB2010	NA	NA
+PJ018245	VLLLLK 	C35H67N7O7	697.5102	NA	PeJP	NA	NA
+EUR1055	SM(d18:1/14:0) [M+Na]+	C37H76N2O6P	697.526047	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1055	SM(d18:1/14:0) [M+Na]+	C37H76N2O6P	697.526047	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1055	SM(d18:1/14:0) [M+Na]+	C37H76N2O6P	697.526047	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1055	SM(d18:1/14:0) [M+Na]+	C37H76N2O6P	697.526047	masses lipides attendues	Inhousejuil11	NA	NA
+MJ090995	2-Amino-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside 	C40H75NO8	697.549268	NA	MeJP	NA	NA
+MJ090996	2-Amino-9-methyl-4,8-heptadecadiene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside 	C40H75NO8	697.549268	NA	MeJP	NA	NA
+MJ090997	2-Amino-1,3,4-octadecanetriol, N-(2?,3?-Dihydroxy-?-tetracosenoyl) 	C42H83NO6	697.622039	NA	MeJP	NA	NA
+MJ090998	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxypentacosanoyl) 	C43H87NO5	697.658424	NA	MeJP	NA	NA
+7036	synthetic peptide from alpha-gliadin	EEIRNLALQTLP	697.87895	MH2+	Inhouse_peptide	NA	peptide
+7781	peptide from human immunodefficiency virus-1*	GRKKRRQRRR	697.9365	MH2+	Inhouse_peptide	NA	peptide
+3880	temporin A	FLPLIGRVLSGIL~	697.94145	MH2+	Inhouse_peptide	NA	peptide
+MJ090999	Chlorotris(1-phenyl-1,3-butanedionato-O,O')hafnium(IV) 	C30H27ClHfO6	698.096165	NA	MeJP	NA	NA
+PJ018246	CCCCMH 	C23H38N8O7S5	698.1467	NA	PeJP	NA	NA
+MJ091000	?-Rubromycin; 3R,3'R-Dihydroxy, 3'-O-(2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside) 	C33H30O17	698.148299	NA	MeJP	NA	NA
+PJ018247	CCDDDE 	C23H34N6O15S2	698.1524	NA	PeJP	NA	NA
+MJ091001	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-(4-Hydroxybenzoyl) 	C37H30O14	698.163555	NA	MeJP	NA	NA
+MJ091002	Quercitrin; 4''-(4-Hydroxycinnamoyl), 3''-benzoyl 	C37H30O14	698.163555	NA	MeJP	NA	NA
+PJ018248	GPCCCCN 	C23H38N8O9S4	698.1645	NA	PeJP	NA	NA
+MJ091003	Antibiotic BE 52440A 	C34H34O14S	698.166926	NA	MeJP	NA	NA
+MJ091004	Blepharismins; Blepharismin 3 	C41H30O11	698.178811	NA	MeJP	NA	NA
+MJ091005	Blepharismins; Blepharismin 4 	C41H30O11	698.178811	NA	MeJP	NA	NA
+MJ091006	myo-Inosose 2; Pentabenzoyl 	C41H30O11	698.178811	NA	MeJP	NA	NA
+PJ018249	CCNNDM 	C23H38N8O11S3	698.1822	NA	PeJP	NA	NA
+PJ018250	GGCCNDM 	C23H38N8O11S3	698.1823	NA	PeJP	NA	NA
+PJ018251	SCDDEM 	C24H38N6O14S2	698.1888	NA	PeJP	NA	NA
+PJ018252	PCCDMM 	C25H42N6O9S4	698.1896	NA	PeJP	NA	NA
+MJ091007	4-Amino-?-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-3-iodobenzenebutanoic acid 	C33H39IN4O5	698.196513	NA	MeJP	NA	NA
+PJ018253	GCCCQW 	C27H38N8O8S3	698.1975	NA	PeJP	NA	NA
+MJ091008	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5'-Tris(4S,5S-epoxy-2Z-hexenoyl), 6'-Ac 	C38H34O13	698.199941	NA	MeJP	NA	NA
+PJ018254	GSSCCNE 	C23H38N8O13S2	698.2	NA	PeJP	NA	NA
+PJ018255	GDDDDY 	C27H34N6O16	698.2032	NA	PeJP	NA	NA
+PJ018256	PCCDDF 	C28H38N6O11S2	698.204	NA	PeJP	NA	NA
+FL5FGAGS0002	5,7-Dihydroxy-3,6,8,4'-tetramethoxyflavone 7-glucosyl-(1->3)-galactoside;7-[(3-O-beta-D-Glucopyranosyl-D-galactopyranosyl)oxy]-5-hydroxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C31H38O18	698.20581	205448-83-5	knapsack	NA	NA
+FLIAFLGS0002	Isocaviunin 7-O-gentiobioside	C31H38O18	698.20581	74517-73-0	knapsack	NA	NA
+MJ091009	2',4',5,5',6,7-Hexahydroxyisoflavone; 2',4',5',6-Tetra-Me ether, 7-O-gentiobioside 	C31H38O18	698.205814	NA	MeJP	NA	NA
+MJ091010	2',4',5,5',7,8-Hexahydroxyisoflavone; 2',4',5',8-Tetra-Me ether, 7-O-gentiobioside 	C31H38O18	698.205814	NA	MeJP	NA	NA
+MJ091011	3,4',5,6,7,8-Hexahydroxyflavone; 3,4',6,8-Tetra-Me ether, 7-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C31H38O18	698.205814	NA	MeJP	NA	NA
+MJ091012	3,4',5,6,7,8-Hexahydroxyflavone; 3,5,6,8-Tetra-Me ether, 4'-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C31H38O18	698.205814	NA	MeJP	NA	NA
+MJ091013	3,4-Dihydro-3,6,8,9-tetrahydroxy-3-methyl-1(2H)-anthracenone, 6-Me ether, 8-O-[6-O-malonyl-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C31H38O18	698.205814	NA	MeJP	NA	NA
+MJ091014	Deacylchelonanthoside; O-(4-Glucosyloxy-3-hydroxy-E-cinnamoyl) 	C31H38O18	698.205814	NA	MeJP	NA	NA
+PJ018257	GDDMMM 	C25H42N6O11S3	698.2074	NA	PeJP	NA	NA
+PJ018258	PCCCHH 	C26H38N10O7S3	698.2087	NA	PeJP	NA	NA
+MJ091015	Davidiol B 	C42H34O10	698.215197	NA	MeJP	NA	NA
+PJ018259	SSCCNW 	C27H38N8O10S2	698.2153	NA	PeJP	NA	NA
+PJ018260	SSSSCND 	C23H38N8O15S	698.2177	NA	PeJP	NA	NA
+PJ018261	GGSSSSCD 	C23H38N8O15S	698.2178	NA	PeJP	NA	NA
+PJ018262	SCNNMM 	C24H42N8O10S3	698.2186	NA	PeJP	NA	NA
+PJ018263	SPCDDY 	C28H38N6O13S	698.2218	NA	PeJP	NA	NA
+PJ018264	CEMMW 	C29H42N6O8S3	698.2226	NA	PeJP	NA	NA
+PJ018265	SSDEMM 	C25H42N6O13S2	698.2252	NA	PeJP	NA	NA
+PJ018266	SPCMMM 	C26H46N6O8S4	698.226	NA	PeJP	NA	NA
+PJ018267	GCDMHH 	C26H38N10O9S2	698.2265	NA	PeJP	NA	NA
+PJ018268	SCCCQR 	C23H42N10O9S3	698.2299	NA	PeJP	NA	NA
+PJ018269	GCNNEY 	C27H38N8O12S	698.233	NA	PeJP	NA	NA
+PJ018270	GCCCKW 	C28H42N8O7S3	698.2339	NA	PeJP	NA	NA
+MJ091016	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolign-7'-ene; 3,3'-Di-Me ether, 9-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 9'-O-(4-hydroxy-E-cinnamoyl) 	C39H38O12	698.236326	NA	MeJP	NA	NA
+PJ018271	GSSSCQM 	C24H42N8O12S2	698.2364	NA	PeJP	NA	NA
+PJ018272	CDEFW 	C32H38N6O10S	698.237	NA	PeJP	NA	NA
+PJ018273	GSDEEY 	C28H38N6O15	698.2395	NA	PeJP	NA	NA
+PJ018274	GPCEMY 	C29H42N6O10S2	698.2404	NA	PeJP	NA	NA
+FL4DAAGI0003	Dihydrophelloside	C32H42O17	698.24219	20194-52-9	knapsack	NA	NA
+MJ091017	3,4',5,7-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavone; 2,3-Dihydro, 3'',7-di-O-?-D-glucopyranoside 	C32H42O17	698.242199	NA	MeJP	NA	NA
+MJ091018	Kalopanaxin C 	C32H42O17	698.242199	NA	MeJP	NA	NA
+MJ091019	Wikstromol, 4,4'-Di-O-?-D-glucopyranoside 	C32H42O17	698.242199	NA	MeJP	NA	NA
+PJ018275	GTEMMM 	C26H46N6O10S3	698.2438	NA	PeJP	NA	NA
+PJ018276	SSCEHH 	C26H38N10O11S	698.2443	NA	PeJP	NA	NA
+MJ091020	28-Methylstigmasta-22,25-diene-2,3,6-triol, 2,3,6-Trisulfate 	C30H50O12S3	698.246439	NA	MeJP	NA	NA
+PJ018277	GSSSCCR 	C23H42N10O11S2	698.2476	NA	PeJP	NA	NA
+PJ018278	CNNYW 	C31H38N8O9S	698.2483	NA	PeJP	NA	NA
+PJ018279	SSNNDY 	C27H38N8O14	698.2508	NA	PeJP	NA	NA
+PJ018280	GCNQMF 	C28H42N8O9S2	698.2516	NA	PeJP	NA	NA
+PJ018281	GGGCQMF 	C28H42N8O9S2	698.2517	NA	PeJP	NA	NA
+PJ018282	SSSSSNM 	C24H42N8O14S	698.2541	NA	PeJP	NA	NA
+PJ018283	SDEYW 	C32H38N6O12	698.2548	NA	PeJP	NA	NA
+PJ018284	SCCQKM 	C25H46N8O9S3	698.255	NA	PeJP	NA	NA
+PJ018285	PCMYW 	C33H42N6O7S2	698.2557	NA	PeJP	NA	NA
+PJ018286	QEEMY 	C29H42N6O12S	698.2582	NA	PeJP	NA	NA
+HMDB00789	Pentacarboxylporphyrin I	C37H38N4O10	698.258789	NA	HMDB2010	NA	NA
+HMDB00789	Pentacarboxylporphyrin I	C37H38N4O10	698.25879	http://www.hmdb.ca/metabolites/HMDB00789	HMDB	NA	NA
+HMDB00789	Pentacarboxylporphyrin I	C37H38N4O10	698.25879	HMDB00789	PFEM_hmdb_metabocards_official	NA	NA
+PJ018287	TMMMW 	C30H46N6O7S3	698.259	NA	PeJP	NA	NA
+PJ018288	STTEMM 	C26H46N6O12S2	698.2615	NA	PeJP	NA	NA
+PJ018289	GNNEEH 	C26H38N10O13	698.262	NA	PeJP	NA	NA
+PJ018290	GVMMMM 	C27H50N6O7S4	698.2624	NA	PeJP	NA	NA
+PJ018291	GCCNFR 	C27H42N10O8S2	698.2629	NA	PeJP	NA	NA
+PJ018292	SCCCKR 	C24H46N10O8S3	698.2663	NA	PeJP	NA	NA
+PJ018293	DDMRY 	C28H42N8O11S	698.2694	NA	PeJP	NA	NA
+PJ018294	GSSSSSST 	C24H42N8O16	698.2719	NA	PeJP	NA	NA
+MJ091021	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,2,9-Tribenzoyl, 6,8-di-Ac 	C40H42O11	698.272712	NA	MeJP	NA	NA
+PJ018295	GSSSCKM 	C25H46N8O11S2	698.2728	NA	PeJP	NA	NA
+PJ018296	SNNNNH 	C25H38N12O12	698.2732	NA	PeJP	NA	NA
+PJ018297	GGGGSNNH 	C25H38N12O12	698.2733	NA	PeJP	NA	NA
+PJ018298	AEMYW 	C33H42N6O9S	698.2734	NA	PeJP	NA	NA
+PJ018299	MMMMR 	C26H50N8O6S4	698.2736	NA	PeJP	NA	NA
+PJ018300	GTTEEY 	C29H42N6O14	698.2759	NA	PeJP	NA	NA
+PJ018301	GPTMMY 	C30H46N6O9S2	698.2768	NA	PeJP	NA	NA
+PJ018302	NNEHW 	C30H38N10O10	698.2773	NA	PeJP	NA	NA
+MJ091022	15,16-Epoxy-12-hydroxy-3,13(16),14-clerodatrien-17,6-olid-18-oic acid, 12-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], Me ester 	C33H46O16	698.278585	NA	MeJP	NA	NA
+PJ018303	SSLMMM 	C27H50N6O9S3	698.2802	NA	PeJP	NA	NA
+PJ018304	GSCNRY 	C27H42N10O10S	698.2806	NA	PeJP	NA	NA
+PJ018305	GGGGSPMH 	C27H42N10O10S	698.2807	NA	PeJP	NA	NA
+PJ018306	PEMHW 	C32H42N8O8S	698.2847	NA	PeJP	NA	NA
+PJ018307	SSSQQY 	C28H42N8O13	698.2871	NA	PeJP	NA	NA
+PJ018308	GGSSTQY 	C28H42N8O13	698.2872	NA	PeJP	NA	NA
+PJ018309	DMMFR 	C29H46N8O8S2	698.288	NA	PeJP	NA	NA
+PJ018310	GPDHHH 	C29H38N12O9	698.2885	NA	PeJP	NA	NA
+PJ018311	PCFFW 	C37H42N6O6S	698.2887	NA	PeJP	NA	NA
+PJ018312	SSSSTCK 	C25H46N8O13S	698.2905	NA	PeJP	NA	NA
+PJ018313	TTEYW 	C33H42N6O11	698.2912	NA	PeJP	NA	NA
+PJ018314	SCCKKM 	C26H50N8O8S3	698.2914	NA	PeJP	NA	NA
+PJ018315	CLMFW 	C34H46N6O6S2	698.292	NA	PeJP	NA	NA
+PJ018316	GNHWW 	C34H38N10O7	698.2925	NA	PeJP	NA	NA
+MJ091023	5,20-Epoxy-11-taxene-2,4,7,9,10,13-hexol, 2-Benzoyl, 4,7,9,10,13-penta-Ac 	C37H46O13	698.293841	NA	MeJP	NA	NA
+PJ018317	SPTTMY 	C30H46N6O11S	698.2945	NA	PeJP	NA	NA
+PJ018318	KEEMY 	C30H46N6O11S	698.2946	NA	PeJP	NA	NA
+PJ018319	QMHHF 	C31H42N10O7S	698.2959	NA	PeJP	NA	NA
+PJ018320	EEEHR 	C27H42N10O12	698.2984	NA	PeJP	NA	NA
+PJ018321	VEEHW 	C32H42N8O10	698.3024	NA	PeJP	NA	NA
+MJ091024	Neoantimycin 	C36H46N2O12	698.305074	NA	MeJP	NA	NA
+PJ018322	TEMRY 	C29H46N8O10S	698.3058	NA	PeJP	NA	NA
+PJ018323	APYYW 	C37H42N6O8	698.3064	NA	PeJP	NA	NA
+PJ018324	CHHFR 	C30H42N12O6S	698.3071	NA	PeJP	NA	NA
+PJ018325	GSNEHR 	C26H42N12O11	698.3096	NA	PeJP	NA	NA
+PJ018326	SLMYW 	C34H46N6O8S	698.3098	NA	PeJP	NA	NA
+PJ018327	SSTLEY 	C30H46N6O13	698.3123	NA	PeJP	NA	NA
+PJ018328	AALMMY 	C31H50N6O8S2	698.3132	NA	PeJP	NA	NA
+PJ018329	TQQHW 	C31H42N10O9	698.3136	NA	PeJP	NA	NA
+PJ018330	NDKHW 	C31H42N10O9	698.3137	NA	PeJP	NA	NA
+PJ018331	GVQQMH 	C28H46N10O9S	698.317	NA	PeJP	NA	NA
+PJ018332	PPNWW 	C36H42N8O7	698.3177	NA	PeJP	NA	NA
+MJ091025	Adiantifoline; O7',O13'-Di-de-Me 	C40H46N2O9	698.320331	NA	MeJP	NA	NA
+MJ091026	Faurithaline; 3-Methoxy 	C40H46N2O9	698.320331	NA	MeJP	NA	NA
+MJ091027	Iznikine 	C40H46N2O9	698.320331	NA	MeJP	NA	NA
+MJ091028	Thaldimerine 	C40H46N2O9	698.320331	NA	MeJP	NA	NA
+MJ091029	Thalifaberine; 5'-Hydroxy, O3-de-Me 	C40H46N2O9	698.320331	NA	MeJP	NA	NA
+PJ018333	APPMHF 	C33H46N8O7S	698.3211	NA	PeJP	NA	NA
+PJ018334	SSSQKY 	C29H46N8O12	698.3235	NA	PeJP	NA	NA
+PJ018335	ATLEEH 	C29H46N8O12	698.3236	NA	PeJP	NA	NA
+PJ018336	VMMRY 	C30H50N8O7S2	698.3244	NA	PeJP	NA	NA
+PJ018337	SNHRW 	C30H42N12O8	698.3249	NA	PeJP	NA	NA
+PJ018338	PKEYY 	C34H46N6O10	698.3276	NA	PeJP	NA	NA
+PJ018339	QQMHR 	C27H46N12O8S	698.3282	NA	PeJP	NA	NA
+PJ018340	GAQMHR 	C27H46N12O8S	698.3283	NA	PeJP	NA	NA
+MJ091030	Nimbolidin A; 7-Deacyl, 7-tigloyl 	C38H50O12	698.330227	NA	MeJP	NA	NA
+MJ091031	Zaragozic acid C; 4',5'-Dihydro, deacetoxy 	C38H50O12	698.330227	NA	MeJP	NA	NA
+PJ018341	ATTLMY 	C31H50N6O10S	698.3309	NA	PeJP	NA	NA
+PJ018342	KMHHF 	C32H46N10O6S	698.3323	NA	PeJP	NA	NA
+PJ018343	SPPNER 	C28H46N10O11	698.3348	NA	PeJP	NA	NA
+MJ091032	Casoxin 6; Deseryl 	C33H46N8O9	698.338775	NA	MeJP	NA	NA
+PJ018344	GPPDKW 	C33H46N8O9	698.3388	NA	PeJP	NA	NA
+PJ018345	CQHRR 	C26H46N14O7S	698.3395	NA	PeJP	NA	NA
+PJ018346	GTCKKY 	C30H50N8O9S	698.3422	NA	PeJP	NA	NA
+PJ018347	ALFYW 	C38H46N6O7	698.3428	NA	PeJP	NA	NA
+PJ018348	GSDKHR 	C27H46N12O10	698.346	NA	PeJP	NA	NA
+PJ018349	AALMFF 	C35H50N6O7S	698.3462	NA	PeJP	NA	NA
+MJ091033	Triornicin 	C31H50N6O12	698.348671	NA	MeJP	NA	NA
+PJ018350	TTTTLY 	C31H50N6O12	698.3487	NA	PeJP	NA	NA
+PJ018351	GSPPRW 	C32H46N10O8	698.35	NA	PeJP	NA	NA
+PJ018352	GGGPKHF 	C32H46N10O8	698.3501	NA	PeJP	NA	NA
+MJ091034	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091035	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091036	15,20-Dihydroxypregn-4-en-3-one, 20-O-[?-D-Glucopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091037	3,11,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091038	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091039	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091040	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-L-Allopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091041	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091042	3,14,16-Trihydroxycard-20(22)-enolide, Glycoside 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091043	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-glucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091044	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091045	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091046	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091047	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091048	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091049	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091050	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091051	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-D-ribo-hexopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091052	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091053	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucopyranoside] 	C35H54O14	698.351356	NA	MeJP	NA	NA
+MJ091054	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Succinoyl-L-argininoyl), 16-Ac 	C36H50N4O10	698.352693	NA	MeJP	NA	NA
+PJ018353	APPQMR 	C29H50N10O8S	698.3534	NA	PeJP	NA	NA
+PJ018354	PLHFW 	C37H46N8O6	698.3541	NA	PeJP	NA	NA
+PJ018355	GSSHRR 	C26H46N14O9	698.3573	NA	PeJP	NA	NA
+PJ018356	LLMHW 	C34H50N8O6S	698.3574	NA	PeJP	NA	NA
+PJ018357	SSSKKY 	C30H50N8O11	698.3599	NA	PeJP	NA	NA
+PJ018358	GGGGPLLE 	C30H50N8O11	698.36	NA	PeJP	NA	NA
+PJ018359	GVLHHH 	C31H46N12O7	698.3613	NA	PeJP	NA	NA
+PJ018360	LLQYY 	C35H50N6O9	698.3639	NA	PeJP	NA	NA
+PJ018361	GALLYY 	C35H50N6O9	698.364	NA	PeJP	NA	NA
+PJ018362	QKMHR 	C28H50N12O7S	698.3646	NA	PeJP	NA	NA
+PJ018363	APPCRR 	C28H50N12O7S	698.3647	NA	PeJP	NA	NA
+MJ091055	Dregeana 4; 1-Deacetoxy, 1,2-didehydro 	C39H54O11	698.366612	NA	MeJP	NA	NA
+MJ091056	Heudelottin C 	C39H54O11	698.366612	NA	MeJP	NA	NA
+PJ018364	PPLLEM 	C32H54N6O9S	698.3673	NA	PeJP	NA	NA
+PJ018365	GPLQER 	C29H50N10O10	698.3712	NA	PeJP	NA	NA
+MJ091057	11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-galactopyranoside] 	C32H58O16	698.372485	NA	MeJP	NA	NA
+PJ018366	LHHHR 	C30H46N14O6	698.3725	NA	PeJP	NA	NA
+PJ018367	APPTKW 	C34H50N8O8	698.3752	NA	PeJP	NA	NA
+PJ018368	CKHRR 	C27H50N14O6S	698.3759	NA	PeJP	NA	NA
+MJ091058	Delajacine; O14-De-Me, O14-Ac 	C38H54N2O10	698.377845	NA	MeJP	NA	NA
+PJ018369	SVLLMH 	C31H54N8O8S	698.3786	NA	PeJP	NA	NA
+PJ018370	AAPERR 	C28H50N12O9	698.3824	NA	PeJP	NA	NA
+PJ018371	PVLLEE 	C32H54N6O11	698.3851	NA	PeJP	NA	NA
+PJ018372	PLQRW 	C33H50N10O7	698.3864	NA	PeJP	NA	NA
+MJ091059	Marinobufagin; O3-(L-Argininylpimeloyl) 	C37H54N4O9	698.389079	NA	MeJP	NA	NA
+PJ018373	APPKMR 	C30H54N10O7S	698.3898	NA	PeJP	NA	NA
+PJ018374	PDRRR 	C27H50N14O8	698.3936	NA	PeJP	NA	NA
+PJ018375	PPTKKE 	C31H54N8O10	698.3963	NA	PeJP	NA	NA
+PJ018376	LLKYY 	C36H54N6O8	698.4003	NA	PeJP	NA	NA
+PJ018377	KKMHR 	C29H54N12O6S	698.401	NA	PeJP	NA	NA
+MJ091060	Onchitriol I; 13,15-Dipropanoyl, 3-Ac 	C40H58O10	698.402998	NA	MeJP	NA	NA
+PJ018378	SSLKKH 	C30H54N10O9	698.4075	NA	PeJP	NA	NA
+PJ018379	GPLKER 	C30H54N10O9	698.4076	NA	PeJP	NA	NA
+PJ018380	GPVLKW 	C35H54N8O7	698.4116	NA	PeJP	NA	NA
+PJ018381	PPVKKM 	C32H58N8O7S	698.415	NA	PeJP	NA	NA
+MJ091061	12-Oleanene-3,16,21,22,28-pentol, 21,22-Dibenzoyl 	C44H58O7	698.418254	NA	MeJP	NA	NA
+PJ018382	GPTLRR 	C29H54N12O8	698.4188	NA	PeJP	NA	NA
+PJ018383	PLKRW 	C34H54N10O6	698.4228	NA	PeJP	NA	NA
+MJ091062	1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C37H62O12	698.424127	NA	MeJP	NA	NA
+MJ091063	1,3,20,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C37H62O12	698.424127	NA	MeJP	NA	NA
+MJ091064	1,3,22,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C37H62O12	698.424127	NA	MeJP	NA	NA
+MJ091065	Laidlomycin 	C37H62O12	698.424127	NA	MeJP	NA	NA
+MJ091066	3,14-Dihydroxybufa-20,22-dienolide, 3-(Arginylsuberoyl) 	C38H58N4O8	698.425464	NA	MeJP	NA	NA
+PJ018384	PVVKKE 	C32H58N8O9	698.4327	NA	PeJP	NA	NA
+PJ018385	PPLLLF 	C37H58N6O7	698.4367	NA	PeJP	NA	NA
+MJ091067	Isosartortuic acid; Me ester 	C41H62O9	698.439383	NA	MeJP	NA	NA
+PJ018386	PLLLLM 	C34H62N6O7S	698.4401	NA	PeJP	NA	NA
+PJ018387	SPVLKR 	C31H58N10O8	698.4439	NA	PeJP	NA	NA
+PJ018388	GGALLLR 	C31H58N10O8	698.444	NA	PeJP	NA	NA
+PJ018389	AALLRR 	C30H58N12O7	698.4552	NA	PeJP	NA	NA
+PJ018390	VLLLLE 	C34H62N6O9	698.4579	NA	PeJP	NA	NA
+PJ018391	VLRRR 	C29H58N14O6	698.4664	NA	PeJP	NA	NA
+PJ018392	PTLLKK 	C33H62N8O8	698.4691	NA	PeJP	NA	NA
+PJ018393	GLLLKR 	C32H62N10O7	698.4803	NA	PeJP	NA	NA
+MJ091068	3',4'-Didehydro-1',2'-dihydro-?,?-caroten-1'-ol; O-L-Rhamnopyranoside 	C46H66O5	698.491025	NA	MeJP	NA	NA
+PJ018394	VVLLKK 	C34H66N8O7	698.5055	NA	PeJP	NA	NA
+HMDB07355	DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07380	DG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07381	DG(20:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07408	DG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07465	DG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07494	DG(20:3(8Z,11Z,14Z)/22:2(13Z,16Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07522	DG(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07551	DG(20:4(8Z,11Z,14Z,17Z)/22:1(13Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07579	DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:0/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07607	DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07634	DG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07635	DG(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07661	DG(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07662	DG(22:2(13Z,16Z)/20:3(8Z,11Z,14Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07688	DG(22:4(7Z,10Z,13Z,16Z)/20:1(11Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07716	DG(22:5(4Z,7Z,10Z,13Z,16Z)/20:0/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07745	DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:0/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB07831	DG(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)/0:0)	C45H78O5	698.5849	NA	HMDB2010	NA	NA
+HMDB10374	CE(22:5(4Z,7Z,10Z,13Z,16Z))	C49H78O2	698.600159	NA	HMDB2010	NA	NA
+HMDB10375	CE(22:5(7Z,10Z,13Z,16Z,19Z))	C49H78O2	698.600159	NA	HMDB2010	NA	NA
+MJ091069	Polyprenol; Betulaprenol 10 	C50H82O	698.636567	NA	MeJP	NA	NA
+PJ018395	GPCCCCD 	C23H37N7O10S4	699.1485	NA	PeJP	NA	NA
+PJ018396	CCNDDM 	C23H37N7O12S3	699.1663	NA	PeJP	NA	NA
+FL7AAIGL0039	Malvidin 3-glucoside-5-(6-acetylglucoside)	C30H35O19	699.17725	-	knapsack	NA	NA
+PJ018397	GSCCCNN 	C22H37N9O11S3	699.1775	NA	PeJP	NA	NA
+PJ018398	GCCCEW 	C27H37N7O9S3	699.1815	NA	PeJP	NA	NA
+PJ018399	GSSCCDE 	C23H37N7O14S2	699.184	NA	PeJP	NA	NA
+PJ018400	GSPCCCM 	C24H41N7O9S4	699.1849	NA	PeJP	NA	NA
+PJ018401	CCCWW 	C31H37N7O6S3	699.1968	NA	PeJP	NA	NA
+PJ018402	SSCCDW 	C27H37N7O11S2	699.1993	NA	PeJP	NA	NA
+PJ018403	SSSSCDD 	C23H37N7O16S	699.2018	NA	PeJP	NA	NA
+PJ018404	SCNDMM 	C24H41N7O11S3	699.2026	NA	PeJP	NA	NA
+PJ018405	GSCCCLD 	C24H41N7O11S3	699.2027	NA	PeJP	NA	NA
+PJ018406	SCCCER 	C23H41N9O10S3	699.2139	NA	PeJP	NA	NA
+PJ018407	GCNDEY 	C27H37N7O13S	699.217	NA	PeJP	NA	NA
+PJ018408	GTCCMW 	C28H41N7O8S3	699.2179	NA	PeJP	NA	NA
+PJ018409	GSSSCEM 	C24H41N7O13S2	699.2204	NA	PeJP	NA	NA
+PJ018410	GCQMMM 	C25H45N7O8S4	699.2213	NA	PeJP	NA	NA
+PJ018411	SCCNHH 	C25H37N11O9S2	699.2217	NA	PeJP	NA	NA
+HMDB01902	Pteroyltriglutamic acid	C29H33N9O12	699.22485	http://www.hmdb.ca/metabolites/HMDB01902	HMDB	NA	NA
+HMDB01902	Pteroyltriglutamic acid	C29H33N9O12	699.22485	HMDB01902	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01902	Pteroyltriglutamic acid	C29H33N9O12	699.224854	NA	HMDB2010	NA	NA
+MJ091070	Pteroylglutamic acid; Homologue (n = 3) 	C29H33N9O12	699.224867	NA	MeJP	NA	NA
+PJ018412	PCNDDH 	C26H37N9O12S	699.2283	NA	PeJP	NA	NA
+PJ018413	CNDYW 	C31H37N7O10S	699.2323	NA	PeJP	NA	NA
+PJ018414	GCCMMR 	C24H45N9O7S4	699.2325	NA	PeJP	NA	NA
+PJ018415	SSNDDY 	C27H37N7O15	699.2348	NA	PeJP	NA	NA
+PJ018416	SSSCMW 	C28H41N7O10S2	699.2357	NA	PeJP	NA	NA
+PJ018417	SSSSSDM 	C24H41N7O15S	699.2381	NA	PeJP	NA	NA
+PJ018418	SSNMMM 	C25H45N7O10S3	699.239	NA	PeJP	NA	NA
+PJ018419	EEEMY 	C29H41N5O13S	699.2422	NA	PeJP	NA	NA
+PJ018420	GNDEEH 	C26H37N9O14	699.246	NA	PeJP	NA	NA
+PJ018421	GCCDFR 	C27H41N9O9S2	699.2469	NA	PeJP	NA	NA
+PJ018422	STCCMR 	C24H45N9O9S3	699.2503	NA	PeJP	NA	NA
+PJ018423	CNMFW 	C32H41N7O7S2	699.2509	NA	PeJP	NA	NA
+MJ091071	Ipecosidic acid; N-De-Ac, N-(4-hydroxy-3-methoxy-E-cinnamoyl), Me ester 	C35H41NO14	699.252705	NA	MeJP	NA	NA
+MJ091072	Ipecosidic acid; N-De-Ac, N-(4-hydroxy-3-methoxy-Z-cinnamoyl), Me ester 	C35H41NO14	699.252705	NA	MeJP	NA	NA
+PJ018424	GSNEMY 	C28H41N7O12S	699.2534	NA	PeJP	NA	NA
+PJ018425	PCCCKF 	C29H45N7O7S3	699.2543	NA	PeJP	NA	NA
+PJ018426	GSSSTMM 	C25H45N7O12S2	699.2568	NA	PeJP	NA	NA
+PJ018427	SNNNDH 	C25H37N11O13	699.2573	NA	PeJP	NA	NA
+PJ018428	GCKMMM 	C26H49N7O7S4	699.2577	NA	PeJP	NA	NA
+MJ091073	Indopred 	C40H42ClNO8	699.259895	NA	MeJP	NA	NA
+PJ018429	NDEHW 	C30H37N9O11	699.2613	NA	PeJP	NA	NA
+PJ018430	GSCDRY 	C27H41N9O11S	699.2647	NA	PeJP	NA	NA
+MJ091074	1,4,6,8,9-Pentahydroxydihydro-?-agarofuran, 6-(3-Pyridinecarbonyl), 1,9-dibenzoyl, 4,8-di-Ac 	C39H41NO11	699.267961	NA	MeJP	NA	NA
+PJ018431	SNMYW 	C32H41N7O9S	699.2687	NA	PeJP	NA	NA
+PJ018432	SSSQEY 	C28H41N7O14	699.2712	NA	PeJP	NA	NA
+PJ018433	QQMMY 	C29H45N7O9S2	699.272	NA	PeJP	NA	NA
+PJ018434	GGGCLMY 	C29H45N7O9S2	699.2721	NA	PeJP	NA	NA
+PJ018435	SSSSTTM 	C25H45N7O14S	699.2745	NA	PeJP	NA	NA
+PJ018436	PEEYY 	C33H41N5O12	699.2752	NA	PeJP	NA	NA
+PJ018437	STCKMM 	C26H49N7O9S3	699.2754	NA	PeJP	NA	NA
+PJ018438	GNNQMH 	C26H41N11O10S	699.2759	NA	PeJP	NA	NA
+PJ018439	GDHWW 	C34H37N9O8	699.2765	NA	PeJP	NA	NA
+PJ018440	GPTCHW 	C31H41N9O8S	699.2799	NA	PeJP	NA	NA
+PJ018441	GTQEEH 	C27H41N9O13	699.2824	NA	PeJP	NA	NA
+PJ018442	CQMRY 	C28H45N9O8S2	699.2833	NA	PeJP	NA	NA
+PJ018443	CHFFF 	C36H41N7O6S	699.2839	NA	PeJP	NA	NA
+PJ018444	GSSTYW 	C32H41N7O11	699.2864	NA	PeJP	NA	NA
+PJ018445	GCNNHR 	C25H41N13O9S	699.2871	NA	PeJP	NA	NA
+MJ091075	2,3,5,7,9,15-Hexahydroxy-6(17),11-jatrophadien-14-one, 9-(3-Pyridinecarbonyl), 2,3,5,7,15-penta-Ac 	C36H45NO13	699.28909	NA	MeJP	NA	NA
+MJ091076	Aclacinomycin S 	C36H45NO13	699.28909	NA	MeJP	NA	NA
+PJ018446	GSDKMY 	C29H45N7O11S	699.2898	NA	PeJP	NA	NA
+PJ018447	SSNQQH 	C26H41N11O12	699.2936	NA	PeJP	NA	NA
+PJ018448	GSDEHR 	C26H41N11O12	699.2937	NA	PeJP	NA	NA
+PJ018449	CCRRY 	C27H45N11O7S2	699.2945	NA	PeJP	NA	NA
+PJ018450	TQEHW 	C31H41N9O10	699.2977	NA	PeJP	NA	NA
+PJ018451	GSSMRY 	C28H45N9O10S	699.301	NA	PeJP	NA	NA
+PJ018452	GGALDMH 	C28H45N9O10S	699.3011	NA	PeJP	NA	NA
+PJ018453	PPDWW 	C36H41N7O8	699.3017	NA	PeJP	NA	NA
+PJ018454	TCKYW 	C33H45N7O8S	699.305	NA	PeJP	NA	NA
+PJ018455	PPPTCW 	C33H45N7O8S	699.3051	NA	PeJP	NA	NA
+PJ018456	SSSKEY 	C29H45N7O13	699.3075	NA	PeJP	NA	NA
+PJ018457	GSSSSLY 	C29H45N7O13	699.3076	NA	PeJP	NA	NA
+PJ018458	QKMMY 	C30H49N7O8S2	699.3084	NA	PeJP	NA	NA
+PJ018459	SDHRW 	C30H41N11O9	699.3089	NA	PeJP	NA	NA
+PJ018460	LEEFY 	C34H45N5O11	699.3116	NA	PeJP	NA	NA
+PJ018461	QEMHR 	C27H45N11O9S	699.3123	NA	PeJP	NA	NA
+PJ018462	ATHWW 	C35H41N9O7	699.3129	NA	PeJP	NA	NA
+PJ018463	VQMHW 	C32H45N9O7S	699.3163	NA	PeJP	NA	NA
+PJ018464	SSSTRY 	C28H45N9O12	699.3188	NA	PeJP	NA	NA
+PJ018465	CKMRY 	C29H49N9O7S2	699.3197	NA	PeJP	NA	NA
+PJ018466	AAQHHH 	C29H41N13O8	699.3201	NA	PeJP	NA	NA
+PJ018467	GGGVHHH 	C29H41N13O8	699.3202	NA	PeJP	NA	NA
+PJ018468	APPTEW 	C33H45N7O10	699.3228	NA	PeJP	NA	NA
+PJ018469	CEHRR 	C26H45N13O8S	699.3235	NA	PeJP	NA	NA
+3639	NA	YPFGFA~	699.325	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ091077	Premyrsinol; 17-(3-Pyridinecarbonyl), 5-(2-methylpropanoyl), 3-propanoyl, 7,13-di-Ac 	C37H49NO12	699.325476	NA	MeJP	NA	NA
+PJ018470	GTTKMY 	C30H49N7O10S	699.3262	NA	PeJP	NA	NA
+PJ018471	AMHRW 	C31H45N11O6S	699.3275	NA	PeJP	NA	NA
+PJ018472	GTTEHR 	C27H45N11O11	699.33	NA	PeJP	NA	NA
+PJ018473	GGGGAPER 	C27H45N11O11	699.3301	NA	PeJP	NA	NA
+PJ018474	NHHHR 	C28H41N15O7	699.3314	NA	PeJP	NA	NA
+PJ018475	TKEHW 	C32H45N9O9	699.334	NA	PeJP	NA	NA
+PJ018476	GSTLHW 	C32H45N9O9	699.3341	NA	PeJP	NA	NA
+PJ018477	APPEMR 	C29H49N9O9S	699.3374	NA	PeJP	NA	NA
+PJ018478	GKFYW 	C37H45N7O7	699.3381	NA	PeJP	NA	NA
+PJ018479	QKMFF 	C34H49N7O7S	699.3414	NA	PeJP	NA	NA
+PJ018480	GPPLMW 	C34H49N7O7S	699.3415	NA	PeJP	NA	NA
+MJ091078	Adouetine Z 	C42H45N5O5	699.342069	NA	MeJP	NA	NA
+C09995	Adouetine Z	C42H45N5O5	699.3421	NA	KEGG	NA	NA
+PJ018481	STTTKY 	C30H49N7O12	699.3439	NA	PeJP	NA	NA
+PJ018482	GGPVLEE 	C30H49N7O12	699.344	NA	PeJP	NA	NA
+PJ018483	KKMMY 	C31H53N7O7S2	699.3448	NA	PeJP	NA	NA
+PJ018484	TTHRW 	C31H45N11O8	699.3453	NA	PeJP	NA	NA
+PJ018485	LLEYY 	C35H49N5O10	699.348	NA	PeJP	NA	NA
+PJ018486	KEMHR 	C28H49N11O8S	699.3487	NA	PeJP	NA	NA
+PJ018487	LHHFF 	C36H45N9O6	699.3493	NA	PeJP	NA	NA
+PJ018488	VKMHW 	C33H49N9O6S	699.3527	NA	PeJP	NA	NA
+MJ091079	Antrimycin; Antrimycin B 	C29H49N9O11	699.355153	NA	MeJP	NA	NA
+MJ091080	Antrimycin; Antrimycin Cv 	C29H49N9O11	699.355153	NA	MeJP	NA	NA
+PJ018489	GPLEER 	C29H49N9O11	699.3552	NA	PeJP	NA	NA
+3420	NA	GVYPHK	699.356	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ018490	GPPHHR 	C30H45N13O7	699.3565	NA	PeJP	NA	NA
+PJ018491	GPVLEW 	C34H49N7O9	699.3592	NA	PeJP	NA	NA
+PJ018492	TMHRR 	C27H49N13O7S	699.3599	NA	PeJP	NA	NA
+MJ091081	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-benzoyl, 8-(E-3-hexenoyl) 	C38H53NO11	699.361861	NA	MeJP	NA	NA
+MJ091082	Icumazole A; 2'''-O-Pentofuranoside 	C38H53NO11	699.361861	NA	MeJP	NA	NA
+PJ018493	PPVKEM 	C31H53N7O9S	699.3626	NA	PeJP	NA	NA
+MJ091083	Lasiodine A 	C39H49N5O7	699.363198	NA	MeJP	NA	NA
+C10008	Lasiodine A	C39H49N5O7	699.3632	NA	KEGG	NA	NA
+PJ018494	SSTLHR 	C28H49N11O10	699.3664	NA	PeJP	NA	NA
+MJ091084	Athlestatin 	C32H53N5O12	699.369072	NA	MeJP	NA	NA
+PJ018495	PLERW 	C33H49N9O8	699.3704	NA	PeJP	NA	NA
+MJ091085	ACE inhibitor peptide C 111 	C33H49N9O8	699.370409	NA	MeJP	NA	NA
+PJ018496	GGGLLHF 	C33H49N9O8	699.3705	NA	PeJP	NA	NA
+MJ091086	Delsemine 	C37H53N3O10	699.373094	NA	MeJP	NA	NA
+PJ018497	SPPLMR 	C30H53N9O8S	699.3738	NA	PeJP	NA	NA
+PJ018498	PVLWW 	C38H49N7O6	699.3745	NA	PeJP	NA	NA
+PJ018499	ASPNRR 	C27H49N13O9	699.3776	NA	PeJP	NA	NA
+PJ018500	GSPQRR 	C27H49N13O9	699.3777	NA	PeJP	NA	NA
+PJ018501	KKMFF 	C35H53N7O6S	699.3778	NA	PeJP	NA	NA
+8305	Antioxidative peptide	QLGNLGV	699.3789	Medium chain acyl carnitines  ;SYN:Decanoylcarnitine; Decanoyl-L-carnitineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ018502	PVVKEE 	C31H53N7O11	699.3803	NA	PeJP	NA	NA
+PJ018503	PNKRW 	C32H49N11O7	699.3817	NA	PeJP	NA	NA
+PJ018504	GCKKKH 	C29H53N11O7S	699.3851	NA	PeJP	NA	NA
+PJ018505	SPVLER 	C30H53N9O10	699.3916	NA	PeJP	NA	NA
+PJ018506	APTLLW 	C35H53N7O8	699.3956	NA	PeJP	NA	NA
+PJ018507	PVLLQM 	C32H57N7O8S	699.399	NA	PeJP	NA	NA
+PJ018508	GPDKKR 	C29H53N11O9	699.4028	NA	PeJP	NA	NA
+PJ018509	AAPKKW 	C34H53N9O7	699.4068	NA	PeJP	NA	NA
+PJ018510	APLLMR 	C31H57N9O7S	699.4102	NA	PeJP	NA	NA
+PJ018511	GSPKRR 	C28H53N13O8	699.414	NA	PeJP	NA	NA
+PJ018512	GGAALRR 	C28H53N13O8	699.4141	NA	PeJP	NA	NA
+PJ018513	PTLLKE 	C32H57N7O10	699.4167	NA	PeJP	NA	NA
+PJ018514	LKHFR 	C33H53N11O6	699.4181	NA	PeJP	NA	NA
+MJ091087	Sporeamicin A; 3''-O-De-Me 	C36H61NO12	699.419376	NA	MeJP	NA	NA
+MJ091088	Sporeamicin A; 3'-N-De-Me 	C36H61NO12	699.419376	NA	MeJP	NA	NA
+PJ018515	VNRRR 	C27H53N15O7	699.4253	NA	PeJP	NA	NA
+PJ018516	SPLQKK 	C31H57N9O9	699.4279	NA	PeJP	NA	NA
+PJ018517	GLLLER 	C31H57N9O9	699.428	NA	PeJP	NA	NA
+PJ018518	GVLLLW 	C36H57N7O7	699.432	NA	PeJP	NA	NA
+PJ018519	PVLLKM 	C33H61N7O7S	699.4354	NA	PeJP	NA	NA
+PJ018520	GRRRR 	C26H53N17O6	699.4365	NA	PeJP	NA	NA
+PJ018521	APTKKR 	C30H57N11O8	699.4392	NA	PeJP	NA	NA
+PJ018522	LLLRW 	C35H57N9O6	699.4432	NA	PeJP	NA	NA
+PJ018523	LQKRR 	C29H57N13O7	699.4504	NA	PeJP	NA	NA
+PJ018524	VVLLKE 	C33H61N7O9	699.4531	NA	PeJP	NA	NA
+PJ018525	SVLLLR 	C32H61N9O8	699.4643	NA	PeJP	NA	NA
+PJ018526	GAALLKK 	C32H61N9O8	699.4644	NA	PeJP	NA	NA
+PJ018527	GVLKKR 	C31H61N11O7	699.4756	NA	PeJP	NA	NA
+MJ091089	Pepstatins; Pepstatin A, Me ester 	C35H65N5O9	699.478228	NA	MeJP	NA	NA
+MJ091090	Pepstatins; Pepstatin B 	C35H65N5O9	699.478228	NA	MeJP	NA	NA
+MJ091091	Pepstatins; Pepstatin C 	C35H65N5O9	699.478228	NA	MeJP	NA	NA
+HMDB08896	PE(15:0/18:3(6Z,9Z,12Z))	C38H70NO8P	699.483887	NA	HMDB2010	NA	NA
+HMDB08897	PE(15:0/18:3(9Z,12Z,15Z))	C38H70NO8P	699.483887	NA	HMDB2010	NA	NA
+HMDB09120	PE(18:3(6Z,9Z,12Z)/15:0)	C38H70NO8P	699.483887	NA	HMDB2010	NA	NA
+HMDB09153	PE(18:3(9Z,12Z,15Z)/15:0)	C38H70NO8P	699.483887	NA	HMDB2010	NA	NA
+PJ018528	LKKRR 	C30H61N13O6	699.4868	NA	PeJP	NA	NA
+PJ018529	TLLLLK 	C34H65N7O8	699.4895	NA	PeJP	NA	NA
+PJ018530	ALLKKK 	C33H65N9O7	699.5007	NA	PeJP	NA	NA
+HMDB08984	PE(16:1(9Z)/P-18:1(11Z))	C39H74NO7P	699.520264	NA	HMDB2010	NA	NA
+HMDB08985	PE(16:1(9Z)/P-18:1(9Z))	C39H74NO7P	699.520264	NA	HMDB2010	NA	NA
+HMDB09114	PE(18:2(9Z,12Z)/P-16:0)	C39H74NO7P	699.520264	NA	HMDB2010	NA	NA
+HMDB11343	PE(P-16:0/18:2(9Z,12Z))	C39H74NO7P	699.520264	NA	HMDB2010	NA	NA
+HMDB11405	PE(P-18:1(11Z)/16:1(9Z))	C39H74NO7P	699.520264	NA	HMDB2010	NA	NA
+HMDB11438	PE(P-18:1(9Z)/16:1(9Z))	C39H74NO7P	699.520264	NA	HMDB2010	NA	NA
+MJ091092	2-Amino-4,8-nonadecadiene-1,3-diol, N-(2R-Hydroxytetradecanoyl), 1-O-?-D-glucopyranoside 	C39H73NO9	699.528532	NA	MeJP	NA	NA
+MJ091093	2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxypentadecanoyl), 1-O-?-D-glucopyranoside 	C39H73NO9	699.528532	NA	MeJP	NA	NA
+MJ091094	2,2',3,4',5,5'-Hexabromo-1,3'-bi-1H-indole 	C16H6Br6N2	699.563124	NA	MeJP	NA	NA
+HMDB04971	Glucosylceramide (d18:1/16:0)	C40H77NO8	699.56494	http://www.hmdb.ca/metabolites/HMDB04971	HMDB	NA	NA
+HMDB04971	Glucosylceramide (d18:1/16:0)	C40H77NO8	699.56494	HMDB04971	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04971	Glucosylceramide (d18:1/16:0)	C40H77NO8	699.564941	NA	HMDB2010	NA	NA
+HMDB10708	Galactosylceramide (d18:1/16:0)	C40H77NO8	699.564941	NA	HMDB2010	NA	NA
+MJ091095	Ethyl cartrizoate 	C15H15I3N2O6	699.806416	NA	MeJP	NA	NA
+7014	synthetic peptide from alpha-gliadin	PQYSQPQQPISQ	699.8285	MH2+	Inhouse_peptide	NA	peptide
+3193	crabolin-like from skin of frog Rana esculenta	FLPLAIGLLGKLF~	699.9405	MH2+	Inhouse_peptide	NA	peptide
+3876	vespa-like peptide from R, Esculenta	FLPLIAGLLGKLF~	699.9405	MH2+	Inhouse_peptide	NA	peptide
+MJ091096	Skyrin, 2-O-?-D-Glucopyranoside 	C36H28O15	700.14282	NA	MeJP	NA	NA
+MJ091097	Theaflavate B 	C36H28O15	700.14282	NA	MeJP	NA	NA
+PJ018531	CCDDDM 	C23H36N6O13S3	700.1503	NA	PeJP	NA	NA
+PJ018532	GSCCCND 	C22H36N8O12S3	700.1615	NA	PeJP	NA	NA
+MJ091098	Isoquercitrin; O''-D-Xylosyl, O''-benzoyl 	C33H32O17	700.163949	NA	MeJP	NA	NA
+MJ091099	Paulomycin E 	C29H36N2O16S	700.178553	NA	MeJP	NA	NA
+PJ018533	CCCNQM 	C23H40N8O9S4	700.1801	NA	PeJP	NA	NA
+PJ018534	GGGACCCM 	C23H40N8O9S4	700.1802	NA	PeJP	NA	NA
+PJ018535	SCDDMM 	C24H40N6O12S3	700.1867	NA	PeJP	NA	NA
+PJ018536	CCCCNR 	C22H40N10O8S4	700.1914	NA	PeJP	NA	NA
+PJ018537	GSSCCNM 	C23H40N8O11S3	700.1979	NA	PeJP	NA	NA
+MJ091100	6-Glucosyl-4',5,7-trihydroxy-6-(4-hydroxybenzyl)flavone; 4'-O-?-D-Glucopyranoside 	C34H36O16	700.200335	NA	MeJP	NA	NA
+PJ018538	GCDDEY 	C27H36N6O14S	700.2011	NA	PeJP	NA	NA
+PJ018539	PCCCEF 	C28H40N6O9S3	700.2019	NA	PeJP	NA	NA
+PJ018540	GCEMMM 	C25H44N6O9S4	700.2053	NA	PeJP	NA	NA
+PJ018541	SCCDHH 	C25H36N10O10S2	700.2058	NA	PeJP	NA	NA
+PJ018542	PCDDDH 	C26H36N8O13S	700.2123	NA	PeJP	NA	NA
+MJ091101	Julichrome Q1.6 	C38H36O13	700.215591	NA	MeJP	NA	NA
+PJ018543	SSSSCCQ 	C23H40N8O13S2	700.2156	NA	PeJP	NA	NA
+PJ018544	GGSSSTCC 	C23H40N8O13S2	700.2157	NA	PeJP	NA	NA
+PJ018545	CDDYW 	C31H36N6O11S	700.2163	NA	PeJP	NA	NA
+PJ018546	CCCNKM 	C24H44N8O8S4	700.2165	NA	PeJP	NA	NA
+PJ018547	SSDDDY 	C27H36N6O16	700.2188	NA	PeJP	NA	NA
+PJ018548	SPCCEY 	C28H40N6O11S2	700.2197	NA	PeJP	NA	NA
+PJ018549	CMMMW 	C29H44N6O6S4	700.2205	NA	PeJP	NA	NA
+MJ091102	Catalpol; 6-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxy-E-cinnamoyl] 	C31H40O18	700.221464	NA	MeJP	NA	NA
+PJ018550	SSDMMM 	C25H44N6O11S3	700.223	NA	PeJP	NA	NA
+PJ018551	ACCMHH 	C26H40N10O7S3	700.2244	NA	PeJP	NA	NA
+PJ018552	GDDEEH 	C26H36N8O15	700.2301	NA	PeJP	NA	NA
+PJ018553	GCNNMY 	C27H40N8O10S2	700.2309	NA	PeJP	NA	NA
+PJ018554	GSSSSSSC 	C23H40N8O15S	700.2334	NA	PeJP	NA	NA
+PJ018555	GSTCCCK 	C24H44N8O10S3	700.2343	NA	PeJP	NA	NA
+PJ018556	CDMFW 	C32H40N6O8S2	700.2349	NA	PeJP	NA	NA
+PJ018557	GSDEMY 	C28H40N6O13S	700.2374	NA	PeJP	NA	NA
+PJ018558	GPCMMY 	C29H44N6O8S3	700.2383	NA	PeJP	NA	NA
+PJ018559	SNNDDH 	C25H36N10O14	700.2413	NA	PeJP	NA	NA
+PJ018560	GTMMMM 	C26H48N6O8S4	700.2417	NA	PeJP	NA	NA
+PJ018561	SSCMHH 	C26H40N10O9S2	700.2421	NA	PeJP	NA	NA
+PJ018562	GGGAPCCH 	C26H40N10O9S2	700.2422	NA	PeJP	NA	NA
+PJ018563	DDEHW 	C30H36N8O12	700.2453	NA	PeJP	NA	NA
+PJ018564	SSCNQY 	C27H40N8O12S	700.2487	NA	PeJP	NA	NA
+MJ091103	6-Chloro-11,20-epoxy-2,8,9,12,13,14-hexahydroxy-5(16)-briaren-18,7-olide, 13-(3-Methylbutanoyl), 2,9,12,14-tetra-Ac 	C33H45ClO14	700.249783	NA	MeJP	NA	NA
+PJ018565	SSSSCCK 	C24H44N8O12S2	700.252	NA	PeJP	NA	NA
+PJ018566	SDMYW 	C32H40N6O10S	700.2527	NA	PeJP	NA	NA
+PJ018567	SSSEEY 	C28H40N6O15	700.2552	NA	PeJP	NA	NA
+PJ018568	QEMMY 	C29H44N6O10S2	700.2561	NA	PeJP	NA	NA
+MJ091104	Bruceolide; 15-O-(3-Hydroxy-3-methylbutanoyl), 3-O-?-D-glucopyranoside 	C32H44O17	700.257849	NA	MeJP	NA	NA
+PJ018569	STTMMM 	C26H48N6O10S3	700.2594	NA	PeJP	NA	NA
+PJ018570	GNNEMH 	C26H40N10O11S	700.2599	NA	PeJP	NA	NA
+C09935	Catheduline E2	C38H40N2O11	700.2632	NA	KEGG	NA	NA
+MJ091105	1,2,8,9,14-Pentahydroxydihydro-?-agarofuran, 8,14-Bis(3-pyridinecarbonyl), 9-benzoyl, 1,2-di-Ac 	C38H40N2O11	700.26321	NA	MeJP	NA	NA
+PJ018571	GCNNFF 	C31H40N8O9S	700.2639	NA	PeJP	NA	NA
+PJ018572	GSSSSNY 	C27H40N8O14	700.2664	NA	PeJP	NA	NA
+PJ018573	CEMRY 	C28H44N8O9S2	700.2673	NA	PeJP	NA	NA
+PJ018574	GSPDYY 	C32H40N6O12	700.2704	NA	PeJP	NA	NA
+PJ018575	GGEEFY 	C32H40N6O12	700.2705	NA	PeJP	NA	NA
+PJ018576	GCNDHR 	C25H40N12O10S	700.2711	NA	PeJP	NA	NA
+PJ018577	GGGCDHR 	C25H40N12O10S	700.2712	NA	PeJP	NA	NA
+PJ018578	AMMYW 	C33H44N6O7S2	700.2713	NA	PeJP	NA	NA
+MJ091106	Taccalonolide B; 7-Ketone, 15-Ac 	C36H44O14	700.273106	NA	MeJP	NA	NA
+PJ018579	GTTEMY 	C29H44N6O12S	700.2738	NA	PeJP	NA	NA
+HMDB01957	Pentacarboxyl porphyrinogen III	C37H40N4O10	700.27441	http://www.hmdb.ca/metabolites/HMDB01957	HMDB	NA	NA
+HMDB01957	Pentacarboxyl porphyrinogen III	C37H40N4O10	700.27441	HMDB01957	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01957	Pentacarboxyl porphyrinogen III	C37H40N4O10	700.274414	NA	HMDB2010	NA	NA
+PJ018580	AAMMMF 	C30H48N6O7S3	700.2747	NA	PeJP	NA	NA
+PJ018581	NNMHW 	C30H40N10O8S	700.2751	NA	PeJP	NA	NA
+PJ018582	GGNMHW 	C30H40N10O8S	700.2752	NA	PeJP	NA	NA
+PJ018583	SSNQEH 	C26H40N10O13	700.2777	NA	PeJP	NA	NA
+PJ018584	PCCNKH 	C27H44N10O8S2	700.2785	NA	PeJP	NA	NA
+PJ018585	TEEHW 	C31H40N8O11	700.2817	NA	PeJP	NA	NA
+PJ018586	PMMHW 	C32H44N8O6S2	700.2825	NA	PeJP	NA	NA
+PJ018587	SSCNKY 	C28H44N8O11S	700.285	NA	PeJP	NA	NA
+PJ018588	GGSSCKY 	C28H44N8O11S	700.2851	NA	PeJP	NA	NA
+PJ018589	GEFYW 	C36H40N6O9	700.2857	NA	PeJP	NA	NA
+PJ018590	APCHHH 	C29H40N12O7S	700.2864	NA	PeJP	NA	NA
+PJ018591	TTMYW 	C33H44N6O9S	700.2891	NA	PeJP	NA	NA
+PJ018592	STTTEY 	C29H44N6O14	700.2916	NA	PeJP	NA	NA
+PJ018593	KEMMY 	C30H48N6O9S2	700.2924	NA	PeJP	NA	NA
+PJ018594	GSSQHW 	C30H40N10O10	700.2929	NA	PeJP	NA	NA
+MJ091107	Shimofuridin A 	C34H44N4O12	700.295572	NA	MeJP	NA	NA
+PJ018595	EEMHR 	C27H44N10O10S	700.2963	NA	PeJP	NA	NA
+PJ018596	PDHFW 	C35H40N8O8	700.2969	NA	PeJP	NA	NA
+PJ018597	VEMHW 	C32H44N8O8S	700.3003	NA	PeJP	NA	NA
+PJ018598	FYWW 	C40H40N6O6	700.301	NA	PeJP	NA	NA
+PJ018599	SSLEEH 	C28H44N8O13	700.3028	NA	PeJP	NA	NA
+PJ018600	TMMRY 	C29H48N8O8S2	700.3037	NA	PeJP	NA	NA
+PJ018601	SSPHHH 	C29H40N12O9	700.3041	NA	PeJP	NA	NA
+PJ018602	AAEHHH 	C29H40N12O9	700.3042	NA	PeJP	NA	NA
+PJ018603	AMFFW 	C37H44N6O6S	700.3043	NA	PeJP	NA	NA
+PJ018604	VQEYY 	C33H44N6O11	700.3068	NA	PeJP	NA	NA
+PJ018605	GSNMHR 	C26H44N12O9S	700.3075	NA	PeJP	NA	NA
+PJ018606	NHHFF 	C34H40N10O7	700.3082	NA	PeJP	NA	NA
+MJ091108	3,5,8,9,10,14,15-Pepluaneheptol, 3-Benzoyl, 5,8,9,10,14-penta-Ac 	C37H48O13	700.309491	NA	MeJP	NA	NA
+MJ091109	Zaragozic acid C; 6'-Demethyl, 4',5'-dihydro, O-de-Ac 	C37H48O13	700.309491	NA	MeJP	NA	NA
+PJ018607	SSTLMY 	C30H48N6O11S	700.3102	NA	PeJP	NA	NA
+PJ018608	CQKHW 	C31H44N10O7S	700.3115	NA	PeJP	NA	NA
+PJ018609	GACKHW 	C31H44N10O7S	700.3116	NA	PeJP	NA	NA
+PJ018610	APNDER 	C27H44N10O12	700.314	NA	PeJP	NA	NA
+MJ091110	Streptomycin; Isonicotinoyl hydrazone 	C27H44N10O12	700.314016	NA	MeJP	NA	NA
+PJ018611	GPNEER 	C27H44N10O12	700.3141	NA	PeJP	NA	NA
+PJ018612	DHHHR 	C28H40N14O8	700.3154	NA	PeJP	NA	NA
+PJ018613	AAPQEW 	C32H44N8O10	700.3181	NA	PeJP	NA	NA
+MJ091111	Alldimycin B 	C36H48N2O12	700.320725	NA	MeJP	NA	NA
+MJ091112	Rhodomycin A 	C36H48N2O12	700.320725	NA	MeJP	NA	NA
+MJ091113	?2-Rhodomycin-Roa2 	C36H48N2O12	700.320725	NA	MeJP	NA	NA
+PJ018614	ATLEMH 	C29H48N8O10S	700.3214	NA	PeJP	NA	NA
+PJ018615	GGAAPPTM 	C29H48N8O10S	700.3215	NA	PeJP	NA	NA
+PJ018616	GLYYW 	C37H44N6O8	700.3221	NA	PeJP	NA	NA
+MJ091114	Nimbolicin 	C41H48O10	700.324747	NA	MeJP	NA	NA
+PJ018617	SSSQHR 	C26H44N12O11	700.3253	NA	PeJP	NA	NA
+PJ018618	PKMYY 	C34H48N6O8S	700.3254	NA	PeJP	NA	NA
+PJ018619	GALMFY 	C34H48N6O8S	700.3255	NA	PeJP	NA	NA
+MJ091115	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4,10-di-Ac, 7-O-(triethylsilyl) 	C37H52O11Si	700.327889	NA	MeJP	NA	NA
+PJ018620	PVVEEE 	C30H48N6O13	700.328	NA	PeJP	NA	NA
+PJ018621	PNERW 	C31H44N10O9	700.3293	NA	PeJP	NA	NA
+MJ091116	Posaconazole 	C37H42F2N8O4	700.329708	NA	MeJP	NA	NA
+3719	NA	WWPRG	700.332	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ018622	SPPNMR 	C28H48N10O9S	700.3327	NA	PeJP	NA	NA
+PJ018623	PVNWW 	C36H44N8O7	700.3333	NA	PeJP	NA	NA
+PJ018624	APPCKW 	C33H48N8O7S	700.3367	NA	PeJP	NA	NA
+PJ018625	TTTLEH 	C29H48N8O12	700.3392	NA	PeJP	NA	NA
+PJ018626	GLLMMH 	C30H52N8O7S2	700.3401	NA	PeJP	NA	NA
+PJ018627	NQHFR 	C30H44N12O8	700.3405	NA	PeJP	NA	NA
+PJ018628	VKEYY 	C34H48N6O10	700.3432	NA	PeJP	NA	NA
+PJ018629	GTCKHR 	C27H48N12O8S	700.3439	NA	PeJP	NA	NA
+PJ018630	GPRWW 	C35H44N10O6	700.3446	NA	PeJP	NA	NA
+MJ091117	1,3,7,11,12-Pentahydroxy-14-meliacen-28-oic acid, 12-(2-Methylbutanoyl), 1,7,11-tri-Ac, Me ester 	C38H52O12	700.345877	NA	MeJP	NA	NA
+MJ091118	Cholestane-3,6,12,21-tetrol, 12-O-?-D-Glucopyranoside, 3-sulfate, Na salt 	C33H57NaO12S	700.346842	NA	MeJP	NA	NA
+PJ018631	CKKHW 	C32H48N10O6S	700.3479	NA	PeJP	NA	NA
+PJ018632	GPDKER 	C28H48N10O11	700.3504	NA	PeJP	NA	NA
+PJ018633	GGGGGAPTK 	C28H48N10O11	700.3505	NA	PeJP	NA	NA
+PJ018634	SSPPKW 	C33H48N8O9	700.3544	NA	PeJP	NA	NA
+PJ018635	AAPKEW 	C33H48N8O9	700.3545	NA	PeJP	NA	NA
+C08668	Cashmiradelphine	C37H52N2O11	700.3571	NA	KEGG	NA	NA
+MJ091119	Puberaconitine; Me ester 	C37H52N2O11	700.35711	NA	MeJP	NA	NA
+MJ091120	Puberaconitine; O8-Me 	C37H52N2O11	700.35711	NA	MeJP	NA	NA
+PJ018636	STLLMH 	C30H52N8O9S	700.3578	NA	PeJP	NA	NA
+PJ018637	PKFFY 	C38H48N6O7	700.3585	NA	PeJP	NA	NA
+MJ091121	Maingayone 	C42H52O9	700.361133	NA	MeJP	NA	NA
+PJ018638	GSPERR 	C27H48N12O10	700.3617	NA	PeJP	NA	NA
+PJ018639	LKMFY 	C35H52N6O7S	700.3618	NA	PeJP	NA	NA
+PJ018640	PPPLMF 	C35H52N6O7S	700.3619	NA	PeJP	NA	NA
+MJ091122	Owerrine 	C43H48N4O5	700.36247	NA	MeJP	NA	NA
+PJ018641	PTLLEE 	C31H52N6O12	700.3644	NA	PeJP	NA	NA
+PJ018642	PPLLMM 	C32H56N6O7S2	700.3652	NA	PeJP	NA	NA
+PJ018643	PDKRW 	C32H48N10O8	700.3657	NA	PeJP	NA	NA
+C15678	Chalcomycin	C35H56O14	700.367	NA	KEGG	NA	NA
+MJ091123	1,2,3,14,20,22,25-Heptahydroxycholest-7-en-6-one, 25-Ac, 22-O-?-D-galactopyranoside 	C35H56O14	700.367006	NA	MeJP	NA	NA
+MJ091124	Chalcomycin 	C35H56O14	700.367006	NA	MeJP	NA	NA
+MJ091125	Bufotalin; 3-Argininylsuccinoyl 	C36H52N4O10	700.368343	NA	MeJP	NA	NA
+PJ018644	GPLQMR 	C29H52N10O8S	700.3691	NA	PeJP	NA	NA
+PJ018645	VLHFW 	C37H48N8O6	700.3697	NA	PeJP	NA	NA
+2697	NA	GRVRDQIMLSLGG	700.37115	MH2+	Inhouse_peptide	NA	peptide
+PJ018646	NQQRR 	C26H48N14O9	700.3729	NA	PeJP	NA	NA
+PJ018647	APKKEE 	C30H52N8O11	700.3756	NA	PeJP	NA	NA
+PJ018648	SPRRW 	C31H48N12O7	700.3769	NA	PeJP	NA	NA
+PJ018649	PPVLEF 	C35H52N6O9	700.3796	NA	PeJP	NA	NA
+PJ018650	AAPMRR 	C28H52N12O7S	700.3803	NA	PeJP	NA	NA
+MJ091126	Antibiotic VM 44866; 23?-(2-Methylpropanoyloxy), 13?-hydroxy, 5-Me ether 	C39H56O11	700.382262	NA	MeJP	NA	NA
+PJ018651	PVLLEM 	C32H56N6O9S	700.383	NA	PeJP	NA	NA
+PJ018652	APTKER 	C29H52N10O10	700.3868	NA	PeJP	NA	NA
+PJ018653	GPTLKW 	C34H52N8O8	700.3908	NA	PeJP	NA	NA
+PJ018654	GGGVLLW 	C34H52N8O8	700.3909	NA	PeJP	NA	NA
+MJ091127	Leucascandrolide A 	C38H56N2O10	700.393496	NA	MeJP	NA	NA
+PJ018655	PPTKKM 	C31H56N8O8S	700.3942	NA	PeJP	NA	NA
+PJ018656	LKFFF 	C39H52N6O6	700.3949	NA	PeJP	NA	NA
+MJ091128	Methylenediboviquinone-3,3 	C43H56O8	700.397518	NA	MeJP	NA	NA
+PJ018657	LQERR 	C28H52N12O9	700.398	NA	PeJP	NA	NA
+PJ018658	GALERR 	C28H52N12O9	700.3981	NA	PeJP	NA	NA
+PJ018659	VVLLEE 	C32H56N6O11	700.4007	NA	PeJP	NA	NA
+PJ018660	VLQRW 	C33H52N10O7	700.4021	NA	PeJP	NA	NA
+MJ091129	3,11,14-Trihydroxybufa-20,22-dienolide, 3-Pimeloylarginine ester 	C37H56N4O9	700.404729	NA	MeJP	NA	NA
+PJ018661	GPLKMR 	C30H56N10O7S	700.4055	NA	PeJP	NA	NA
+PJ018662	VDRRR 	C27H52N14O8	700.4093	NA	PeJP	NA	NA
+PJ018663	SPLKKE 	C31H56N8O10	700.412	NA	PeJP	NA	NA
+PJ018664	ALRRW 	C32H52N12O6	700.4133	NA	PeJP	NA	NA
+PJ018665	PPVLLY 	C36H56N6O8	700.416	NA	PeJP	NA	NA
+MJ091130	22,23-Dihydroxymilbemycin ?3; O5-Me, 23-O-(2-methylhexanoyl) 	C40H60O10	700.418648	NA	MeJP	NA	NA
+PJ018666	GVLKER 	C30H56N10O9	700.4232	NA	PeJP	NA	NA
+PJ018667	AALLKW 	C35H56N8O7	700.4272	NA	PeJP	NA	NA
+PJ018668	PVVKKM 	C32H60N8O7S	700.4306	NA	PeJP	NA	NA
+PJ018669	LKERR 	C29H56N12O8	700.4344	NA	PeJP	NA	NA
+PJ018670	GGGVKKR 	C29H56N12O8	700.4345	NA	PeJP	NA	NA
+PJ018671	TLLLLE 	C33H60N6O10	700.4371	NA	PeJP	NA	NA
+PJ018672	VLKRW 	C34H56N10O6	700.4385	NA	PeJP	NA	NA
+PJ018673	TLRRR 	C28H56N14O7	700.4457	NA	PeJP	NA	NA
+PJ018674	ALLKKE 	C32H60N8O9	700.4484	NA	PeJP	NA	NA
+PJ018675	PVLLLF 	C37H60N6O7	700.4524	NA	PeJP	NA	NA
+MJ091131	Dactylfungin A 	C41H64O9	700.455033	NA	MeJP	NA	NA
+PJ018676	VLLLLM 	C34H64N6O7S	700.4558	NA	PeJP	NA	NA
+PJ018677	ATLLKR 	C31H60N10O8	700.4596	NA	PeJP	NA	NA
+PJ018678	AAKKKR 	C30H60N12O7	700.4708	NA	PeJP	NA	NA
+MJ091132	2,6,10,15,19,23-Hexamethyl-2,6,10,12,14,18,22-tetracosaheptaene; 10,11,12,13,14,15,22,23-Octahydro, 10,11,14,15,23-pentahydroxy, 14-Ac, 11-O-?-D-mannopyranoside 	C38H68O11	700.476163	NA	MeJP	NA	NA
+MJ091133	Inostamycin 	C38H68O11	700.476163	NA	MeJP	NA	NA
+PJ018679	SLLLKK 	C33H64N8O8	700.4847	NA	PeJP	NA	NA
+PJ018680	GLKKKK 	C32H64N10O7	700.496	NA	PeJP	NA	NA
+HMDB00636	Dioleoylphosphatidic acid	C39H73O8P	700.50433	http://www.hmdb.ca/metabolites/HMDB00636	HMDB	NA	NA
+HMDB00636	Dioleoylphosphatidic acid	C39H73O8P	700.50433	HMDB00636	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07861	PA(18:0/18:2(9Z,12Z))	C39H73O8P	700.504333	NA	HMDB2010	NA	NA
+HMDB07862	PA(18:1(11Z)/18:1(11Z))	C39H73O8P	700.504333	NA	HMDB2010	NA	NA
+HMDB07863	PA(18:1(11Z)/18:1(9Z))	C39H73O8P	700.504333	NA	HMDB2010	NA	NA
+HMDB07864	PA(18:1(9Z)/18:1(11Z))	C39H73O8P	700.504333	NA	HMDB2010	NA	NA
+HMDB07865	PA(18:1(9Z)/18:1(9Z))	C39H73O8P	700.504333	NA	HMDB2010	NA	NA
+MJ091134	1,2-Di-O-acylglycerols; Glycerol 1-(9Z-hexadecenoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) 	C39H72O10	700.512548	NA	MeJP	NA	NA
+HMDB13464	SM(d18:0/16:1(9Z))	C39H77N2O6P	700.551941	NA	HMDB2010	NA	NA
+MJ091135	Crasserides; 14-Methylpentadecanoylcrasseride 	C41H80O8	700.585319	NA	MeJP	NA	NA
+HMDB07297	DG(18:3(6Z,9Z,12Z)/24:1(15Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07326	DG(18:3(9Z,12Z,15Z)/24:1(15Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07354	DG(18:4(6Z,9Z,12Z,15Z)/24:0/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07379	DG(20:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07436	DG(20:2(11Z,14Z)/22:2(13Z,16Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07464	DG(20:3(5Z,8Z,11Z)/22:1(13Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07493	DG(20:3(8Z,11Z,14Z)/22:1(13Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07521	DG(20:4(5Z,8Z,11Z,14Z)/22:0/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07550	DG(20:4(8Z,11Z,14Z,17Z)/22:0/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07605	DG(22:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07606	DG(22:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07632	DG(22:1(13Z)/20:3(5Z,8Z,11Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07633	DG(22:1(13Z)/20:3(8Z,11Z,14Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07660	DG(22:2(13Z,16Z)/20:2(11Z,14Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07687	DG(22:4(7Z,10Z,13Z,16Z)/20:0/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07802	DG(24:0/18:4(6Z,9Z,12Z,15Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07829	DG(24:1(15Z)/18:3(6Z,9Z,12Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB07830	DG(24:1(15Z)/18:3(9Z,12Z,15Z)/0:0)	C45H80O5	700.600586	NA	HMDB2010	NA	NA
+HMDB06729	Cholesteryl docosatetraenoic acid	C49H80O2	700.61584	http://www.hmdb.ca/metabolites/HMDB06729	HMDB	NA	NA
+HMDB06729	Cholesteryl docosatetraenoic acid	C49H80O2	700.61584	HMDB06729	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06729	CE(22:4(7Z,10Z,13Z,16Z)	C49H80O2	700.615845	NA	HMDB2010	NA	NA
+3660	NA	EIPKTITGSETNL	700.85945	MH2+	Inhouse_peptide	NA	peptide
+3672	NA	CMGLSLRPWMLCAK	700.8744	MH2+	Inhouse_peptide	NA	peptide
+MJ091136	Thuringiensin 	C22H32N5O19P	701.14291	NA	MeJP	NA	NA
+PJ018681	GSCCCDD 	C22H35N7O13S3	701.1455	NA	PeJP	NA	NA
+PJ018682	APCCCCC 	C23H39N7O8S5	701.1464	NA	PeJP	NA	NA
+PJ018683	SSPCCCC 	C23H39N7O10S4	701.1641	NA	PeJP	NA	NA
+PJ018684	CCCNEM 	C23H39N7O10S4	701.1642	NA	PeJP	NA	NA
+PJ018685	CCCCDR 	C22H39N9O9S4	701.1754	NA	PeJP	NA	NA
+MJ091137	Chlorphenoctium(1+); 4,4'-Diaminostilbene-2,2'-disulfonate 	C31H41Cl2N3O7S2	701.176297	NA	MeJP	NA	NA
+PJ018686	GCCCMW 	C27H39N7O7S4	701.1794	NA	PeJP	NA	NA
+PJ018687	GSSCCDM 	C23H39N7O12S3	701.1819	NA	PeJP	NA	NA
+PJ018688	STCCCW 	C27H39N7O9S3	701.1972	NA	PeJP	NA	NA
+PJ018689	SSSSCCE 	C23H39N7O14S2	701.1997	NA	PeJP	NA	NA
+PJ018690	SCCQMM 	C24H43N7O9S4	701.2005	NA	PeJP	NA	NA
+PJ018691	SCCCMR 	C23H43N9O8S4	701.2118	NA	PeJP	NA	NA
+PJ018692	GCNDMY 	C27H39N7O11S2	701.2149	NA	PeJP	NA	NA
+PJ018693	GSSSCMM 	C24H43N7O11S3	701.2183	NA	PeJP	NA	NA
+PJ018694	SNDDDH 	C25H35N9O15	701.2253	NA	PeJP	NA	NA
+PJ018695	PCCNEH 	C26H39N9O10S2	701.2262	NA	PeJP	NA	NA
+PJ018696	CCQYW 	C31H39N7O8S2	701.2302	NA	PeJP	NA	NA
+MJ091138	Neobudofficide B 	C34H40NO15(+)	701.231969	NA	MeJP	NA	NA
+PJ018697	SSCNEY 	C27H39N7O13S	701.2327	NA	PeJP	NA	NA
+PJ018698	GCNMMF 	C28H43N7O8S3	701.2336	NA	PeJP	NA	NA
+PJ018699	SSSSTCM 	C24H43N7O13S2	701.236	NA	PeJP	NA	NA
+PJ018700	SCCKMM 	C25H47N7O8S4	701.2369	NA	PeJP	NA	NA
+MJ091139	Enacyloxin IIa 	C33H45Cl2NO11	701.236966	NA	MeJP	NA	NA
+MJ091140	Enacyloxin IIb 	C33H45Cl2NO11	701.236966	NA	MeJP	NA	NA
+PJ018701	EEMMY 	C29H43N5O11S2	701.2401	NA	PeJP	NA	NA
+PJ018702	GPCCHW 	C30H39N9O7S2	701.2414	NA	PeJP	NA	NA
+PJ018703	GNDEMH 	C26H39N9O12S	701.2439	NA	PeJP	NA	NA
+PJ018704	ACCCFR 	C27H43N9O7S3	701.2448	NA	PeJP	NA	NA
+PJ018705	GSSCYW 	C31H39N7O10S	701.2479	NA	PeJP	NA	NA
+PJ018706	GSSSSDY 	C27H39N7O15	701.2504	NA	PeJP	NA	NA
+PJ018707	GSPPDDD 	C27H39N7O15	701.2505	NA	PeJP	NA	NA
+PJ018708	GSNMMY 	C28H43N7O10S2	701.2513	NA	PeJP	NA	NA
+PJ018709	DEEFY 	C32H39N5O13	701.2545	NA	PeJP	NA	NA
+PJ018710	SCNNQH 	C25H39N11O11S	701.2551	NA	PeJP	NA	NA
+PJ018711	GCDDHR 	C25H39N11O11S	701.2552	NA	PeJP	NA	NA
+PJ018712	NDMHW 	C30H39N9O9S	701.2592	NA	PeJP	NA	NA
+PJ018713	SSNEEH 	C26H39N9O14	701.2617	NA	PeJP	NA	NA
+PJ018714	GTCCRY 	C27H43N9O9S2	701.2625	NA	PeJP	NA	NA
+PJ018715	PCCDKH 	C27H43N9O9S2	701.2626	NA	PeJP	NA	NA
+PJ018716	NNEYY 	C31H39N7O12	701.2657	NA	PeJP	NA	NA
+PJ018717	CCKYW 	C32H43N7O7S2	701.2666	NA	PeJP	NA	NA
+MJ091141	Musettamycin; N-De-Me 	C35H43NO14	701.268355	NA	MeJP	NA	NA
+MJ091142	Respinomycin A1; 3'-N-De-Me, 4'-de-O-glycosyl 	C35H43NO14	701.268355	NA	MeJP	NA	NA
+PJ018718	SSSQMY 	C28H43N7O12S	701.2691	NA	PeJP	NA	NA
+PJ018719	ACCKMF 	C29H47N7O7S3	701.2699	NA	PeJP	NA	NA
+PJ018720	GSSSNNH 	C25H39N11O13	701.2729	NA	PeJP	NA	NA
+PJ018721	PEMYY 	C33H43N5O10S	701.2731	NA	PeJP	NA	NA
+MJ091143	Antibiotic TAN 456 	C34H49Cl2NO10	701.273352	NA	MeJP	NA	NA
+PJ018722	SPCCHR 	C26H43N11O8S2	701.2738	NA	PeJP	NA	NA
+PJ018723	ACHWW 	C34H39N9O6S	701.2744	NA	PeJP	NA	NA
+PJ018724	GSSEHW 	C30H39N9O11	701.2769	NA	PeJP	NA	NA
+MetaCyc04063	5-methyltetrahydropteroyltri-L-glutamate []	C30H39N9O11	701.276903	NA	metacyc	NA	NA
+PJ018725	GGGGGPDW 	C30H39N9O11	701.277	NA	PeJP	NA	NA
+PJ018726	MMHHF 	C31H43N9O6S2	701.2778	NA	PeJP	NA	NA
+PJ018727	SSSCRY 	C27H43N9O11S	701.2803	NA	PeJP	NA	NA
+PJ018728	GNYYW 	C35H39N7O9	701.2809	NA	PeJP	NA	NA
+PJ018729	GGGYYW 	C35H39N7O9	701.281	NA	PeJP	NA	NA
+PJ018730	GPPDMW 	C32H43N7O9S	701.2843	NA	PeJP	NA	NA
+PJ018731	GSSSTTY 	C28H43N7O14	701.2868	NA	PeJP	NA	NA
+PJ018732	GTCKMY 	C29H47N7O9S2	701.2877	NA	PeJP	NA	NA
+PJ018733	GNNNHF 	C29H39N11O10	701.2882	NA	PeJP	NA	NA
+PJ018734	VEEYY 	C33H43N5O12	701.2908	NA	PeJP	NA	NA
+PJ018735	GSDMHR 	C26H43N11O10S	701.2915	NA	PeJP	NA	NA
+PJ018736	GGGGSCKH 	C26H43N11O10S	701.2916	NA	PeJP	NA	NA
+PJ018737	SSHWW 	C34H39N9O8	701.2922	NA	PeJP	NA	NA
+PJ018738	TQMHW 	C31H43N9O8S	701.2955	NA	PeJP	NA	NA
+PJ018739	GATMHW 	C31H43N9O8S	701.2956	NA	PeJP	NA	NA
+PJ018740	STTQEH 	C27H43N9O13	701.298	NA	PeJP	NA	NA
+PJ018741	GPDEER 	C27H43N9O13	701.2981	NA	PeJP	NA	NA
+PJ018742	GVQMMH 	C28H47N9O8S2	701.2989	NA	PeJP	NA	NA
+PJ018743	GSQHHH 	C28H39N13O9	701.2994	NA	PeJP	NA	NA
+4	Sarcoplasmic	DFHING	701.302	celiac toxic	Inhouse_peptide	NA	peptide
+PJ018744	AAPEEW 	C32H43N7O11	701.3021	NA	PeJP	NA	NA
+PJ018745	SSSKMY 	C29H47N7O11S	701.3054	NA	PeJP	NA	NA
+PJ018746	PPTQEM 	C29H47N7O11S	701.3055	NA	PeJP	NA	NA
+PJ018747	PPYYY 	C37H43N5O9	701.3061	NA	PeJP	NA	NA
+PJ018748	TCHRW 	C30H43N11O7S	701.3068	NA	PeJP	NA	NA
+PJ018749	SSSEHR 	C26H43N11O12	701.3093	NA	PeJP	NA	NA
+PJ018750	LEMFY 	C34H47N5O9S	701.3095	NA	PeJP	NA	NA
+PJ018751	QMMHR 	C27H47N11O7S2	701.3102	NA	PeJP	NA	NA
+PJ018752	PDERW 	C31H43N9O10	701.3133	NA	PeJP	NA	NA
+PJ018753	SPPDMR 	C28H47N9O10S	701.3167	NA	PeJP	NA	NA
+PJ018754	PVDWW 	C36H43N7O8	701.3173	NA	PeJP	NA	NA
+PJ018755	GGGAFFF 	C36H43N7O8	701.3174	NA	PeJP	NA	NA
+MJ091144	Naphthomycin A; 30-Dechloro, 30-hydroxy 	C40H47NO10	701.319996	NA	MeJP	NA	NA
+MJ091145	Naphthoquinomycin A 	C40H47NO10	701.319996	NA	MeJP	NA	NA
+MJ091146	Tuberactinomycin A 	C25H43N13O11	701.320499	NA	MeJP	NA	NA
+MetaCyc04064	tuberactinomycin A [1-(L-threo-3,6-diamino-4-hydroxyhexanoic acid)viomycin;]	C25H43N13O11	701.320499	NA	metacyc	NA	NA
+PJ018756	GNNNQR 	C25H43N13O11	701.3205	NA	PeJP	NA	NA
+PJ018757	GGGGGGGQR 	C25H43N13O11	701.3206	NA	PeJP	NA	NA
+PJ018758	APPTMW 	C33H47N7O8S	701.3207	NA	PeJP	NA	NA
+PJ018759	CMHRR 	C26H47N13O6S2	701.3214	NA	PeJP	NA	NA
+PJ018760	APKEEE 	C29H47N7O13	701.3232	NA	PeJP	NA	NA
+PJ018761	PPVQMM 	C30H51N7O8S2	701.3241	NA	PeJP	NA	NA
+PJ018762	SPPQHH 	C30H43N11O9	701.3245	NA	PeJP	NA	NA
+PJ018763	NEHFR 	C30H43N11O9	701.3246	NA	PeJP	NA	NA
+PJ018764	GTTMHR 	C27H47N11O9S	701.3279	NA	PeJP	NA	NA
+PJ018765	VNHFW 	C35H43N9O7	701.3286	NA	PeJP	NA	NA
+PJ018766	TKMHW 	C32H47N9O7S	701.3319	NA	PeJP	NA	NA
+PJ018767	APCKHF 	C32H47N9O7S	701.332	NA	PeJP	NA	NA
+PJ018768	APTEER 	C28H47N9O12	701.3344	NA	PeJP	NA	NA
+PJ018769	PVTDDR 	C28H47N9O12	701.3345	NA	PeJP	NA	NA
+PJ018770	APPMMR 	C29H51N9O7S2	701.3353	NA	PeJP	NA	NA
+PJ018771	GSKHHH 	C29H43N13O8	701.3358	NA	PeJP	NA	NA
+PJ018772	GPTLEW 	C33H47N7O10	701.3385	NA	PeJP	NA	NA
+PJ018773	GPCNRR 	C26H47N13O8S	701.3392	NA	PeJP	NA	NA
+PJ018774	GHFRW 	C34H43N11O6	701.3398	NA	PeJP	NA	NA
+MJ091147	Yunaconitine; O3-Ac 	C37H51NO12	701.341126	NA	MeJP	NA	NA
+PJ018775	PPTKEM 	C30H51N7O10S	701.3418	NA	PeJP	NA	NA
+PJ018776	GGPVLEM 	C30H51N7O10S	701.3419	NA	PeJP	NA	NA
+PJ018777	PLFYY 	C38H47N5O8	701.3425	NA	PeJP	NA	NA
+PJ018778	STTTHR 	C27H47N11O11	701.3457	NA	PeJP	NA	NA
+PJ018779	LLMYY 	C35H51N5O8S	701.3458	NA	PeJP	NA	NA
+PJ018780	KMMHR 	C28H51N11O6S2	701.3466	NA	PeJP	NA	NA
+PJ018781	GSPQKW 	C32H47N9O9	701.3497	NA	PeJP	NA	NA
+PJ018782	GPLEMR 	C29H51N9O9S	701.3531	NA	PeJP	NA	NA
+PJ018783	PTLWW 	C37H47N7O7	701.3537	NA	PeJP	NA	NA
+PJ018784	NQERR 	C26H47N13O10	701.3569	NA	PeJP	NA	NA
+PJ018785	GPVLMW 	C34H51N7O7S	701.3571	NA	PeJP	NA	NA
+PJ018786	SPLKEE 	C30H51N7O12	701.3596	NA	PeJP	NA	NA
+PJ018787	PPVKMM 	C31H55N7O7S2	701.3605	NA	PeJP	NA	NA
+PJ018788	VNQRW 	C31H47N11O8	701.3609	NA	PeJP	NA	NA
+PJ018789	GGGGLRW 	C31H47N11O8	701.361	NA	PeJP	NA	NA
+PJ018790	GPNKMR 	C28H51N11O8S	701.3643	NA	PeJP	NA	NA
+PJ018791	PPFRW 	C36H47N9O6	701.365	NA	PeJP	NA	NA
+8306	Antioxidative peptide	SVMPVVA	701.3654	NA  ;SYN:Desiodothyroxine; L-Thyronine; O-(4-Hydroxyphenyl)tyrosine; Thyronine; b-(p-Hydroxyphenoxy)phenylalanine; beta-(p-Hydroxyphenoxy)phenylalanineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ018792	PLMRW 	C33H51N9O6S	701.3683	NA	PeJP	NA	NA
+PJ018793	GVLEER 	C29H51N9O11	701.3708	NA	PeJP	NA	NA
+PJ018794	GGGAALKE 	C29H51N9O11	701.3709	NA	PeJP	NA	NA
+PJ018795	GQRRW 	C30H47N13O7	701.3722	NA	PeJP	NA	NA
+PJ018796	SSPLLW 	C34H51N7O9	701.3748	NA	PeJP	NA	NA
+PJ018797	AALLEW 	C34H51N7O9	701.3749	NA	PeJP	NA	NA
+MJ091148	Lituarine C 	C38H55NO11	701.377511	NA	MeJP	NA	NA
+PJ018798	PVVKEM 	C31H55N7O9S	701.3782	NA	PeJP	NA	NA
+PJ018799	LLFFY 	C39H51N5O7	701.3789	NA	PeJP	NA	NA
+PJ018800	LEERR 	C28H51N11O10	701.3821	NA	PeJP	NA	NA
+PJ018801	PHHRR 	C29H47N15O6	701.3834	NA	PeJP	NA	NA
+PJ018802	VLERW 	C33H51N9O8	701.3861	NA	PeJP	NA	NA
+PJ018803	SPVLMR 	C30H55N9O8S	701.3895	NA	PeJP	NA	NA
+PJ018804	VVLWW 	C38H51N7O6	701.3901	NA	PeJP	NA	NA
+PJ018805	NKERR 	C27H51N13O9	701.3933	NA	PeJP	NA	NA
+PJ018806	ALLKEE 	C31H55N7O11	701.396	NA	PeJP	NA	NA
+PJ018807	VNKRW 	C32H51N11O7	701.3973	NA	PeJP	NA	NA
+C13103	Leucomycin V	C35H59NO13	701.3986	NA	KEGG	NA	NA
+MJ091149	Leucomycin B; Leucomycin B1 	C35H59NO13	701.39864	NA	MeJP	NA	NA
+MJ091150	Leucomycin V 	C35H59NO13	701.39864	NA	MeJP	NA	NA
+PJ018808	APCKKR 	C29H55N11O7S	701.4007	NA	PeJP	NA	NA
+PJ018809	SQRRR 	C26H51N15O8	701.4045	NA	PeJP	NA	NA
+PJ018810	ATLLER 	C30H55N9O10	701.4072	NA	PeJP	NA	NA
+PJ018811	GKRRW 	C31H51N13O6	701.4086	NA	PeJP	NA	NA
+PJ018812	GTLLLW 	C35H55N7O8	701.4112	NA	PeJP	NA	NA
+PJ018813	GGPVLLF 	C35H55N7O8	701.4113	NA	PeJP	NA	NA
+PJ018814	PTLLKM 	C32H59N7O8S	701.4146	NA	PeJP	NA	NA
+PJ018815	SSPKKR 	C29H55N11O9	701.4184	NA	PeJP	NA	NA
+PJ018816	AAKKER 	C29H55N11O9	701.4185	NA	PeJP	NA	NA
+MJ091151	Antibiotic SUAM 20010 	C33H59N5O11	701.421107	NA	MeJP	NA	NA
+PJ018817	LQKKW 	C34H55N9O7	701.4225	NA	PeJP	NA	NA
+PJ018818	GLLLMR 	C31H59N9O7S	701.4259	NA	PeJP	NA	NA
+PJ018819	DKKRR 	C28H55N13O8	701.4297	NA	PeJP	NA	NA
+PJ018820	SLLLKE 	C32H59N7O10	701.4324	NA	PeJP	NA	NA
+MJ091152	Erythromycin; 6-Deoxy, 6,7-didehydro, 3''-O-de-Me 	C36H63NO12	701.435026	NA	MeJP	NA	NA
+PJ018821	SKRRR 	C27H55N15O7	701.4409	NA	PeJP	NA	NA
+PJ018822	STLLLR 	C31H59N9O9	701.4436	NA	PeJP	NA	NA
+PJ018823	PVVLKF 	C36H59N7O7	701.4476	NA	PeJP	NA	NA
+PJ018824	VVLLKM 	C33H63N7O7S	701.451	NA	PeJP	NA	NA
+PJ018825	GTLKKR 	C30H59N11O8	701.4548	NA	PeJP	NA	NA
+PJ018826	GGGKKKK 	C30H59N11O8	701.4549	NA	PeJP	NA	NA
+MJ091153	Pepstatins; Pepstatin A, Hydroxy 	C34H63N5O10	701.457493	NA	MeJP	NA	NA
+PJ018827	LKKKW 	C35H59N9O6	701.4589	NA	PeJP	NA	NA
+MJ091154	Erythromycin; 6,12-Dideoxy 	C37H67NO11	701.471411	NA	MeJP	NA	NA
+PJ018828	SVLKKK 	C32H63N9O8	701.48	NA	PeJP	NA	NA
+HMDB07903	PC(14:1(9Z)/16:1(9Z))	C38H72NO8P	701.499573	NA	HMDB2010	NA	NA
+HMDB07999	PC(16:1(9Z)/14:1(9Z))	C38H72NO8P	701.499573	NA	HMDB2010	NA	NA
+HMDB08895	PE(15:0/18:2(9Z,12Z))	C38H72NO8P	701.499573	NA	HMDB2010	NA	NA
+HMDB09087	PE(18:2(9Z,12Z)/15:0)	C38H72NO8P	701.499573	NA	HMDB2010	NA	NA
+MJ091155	Gymnasterone A 	C45H67NO5	701.501924	NA	MeJP	NA	NA
+MJ091156	Soblidotin 	C39H67N5O6	701.509134	NA	MeJP	NA	NA
+C13878	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-	C39H76NO7P	701.5359	NA	KEGG	NA	NA
+C13879	Transferred to D02151	C39H76NO7P	701.5359	NA	KEGG	NA	NA
+HMDB08951	PE(16:0/P-18:1(11Z))	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB08952	PE(16:0/P-18:1(9Z))	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB08983	PE(16:1(9Z)/P-18:0)	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB09048	PE(18:1(11Z)/P-16:0)	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB09081	PE(18:1(9Z)/P-16:0)	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB11341	PEP-16:0/18:1(11Z))	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB11342	PE(P-16:0/18:1(9Z))	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB11372	PE(P-18:0/16:1(9Z))	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB11404	PE(P-18:1(11Z)/16:0)	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+HMDB11437	PE(P-18:1(9Z)/16:0)	C39H76NO7P	701.53595	NA	HMDB2010	NA	NA
+EUR1069	SM(d18:1/16:1) monoisotopic mass 	C39H78N2O6P	701.559751	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1069	SM(d18:1/16:1) monoisotopic mass 	C39H78N2O6P	701.559751	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1069	SM(d18:1/16:1) monoisotopic mass 	C39H78N2O6P	701.559751	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1069	SM(d18:1/16:1) monoisotopic mass 	C39H78N2O6P	701.559751	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10703	CerP(d18:1/22:0)	C40H80NO6P	701.572327	NA	HMDB2010	NA	NA
+PJ018829	CCCDEM 	C23H38N6O11S4	702.1482	NA	PeJP	NA	NA
+MJ091157	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan 	C36H30O15	702.15847	NA	MeJP	NA	NA
+MJ091158	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan 	C36H30O15	702.15847	NA	MeJP	NA	NA
+MJ091159	Podoverin C; 3'-Hydroxy 	C36H30O15	702.15847	NA	MeJP	NA	NA
+MJ091160	Volkensiflavone, 7''-O-?-D-Glucopyranoside 	C36H30O15	702.15847	NA	MeJP	NA	NA
+PJ018830	GSCCCCQ 	C22H38N8O10S4	702.1594	NA	PeJP	NA	NA
+MJ091161	Agrocin 84 	C22H36N6O16P2	702.166302	NA	MeJP	NA	NA
+PJ018831	SSSCCCN 	C22H38N8O12S3	702.1772	NA	PeJP	NA	NA
+FL2FACGS0011	Hexaacetylpyracanthoside	C33H34O17	702.17959	138989-34-1	knapsack	NA	NA
+PJ018832	PCCCDY 	C27H38N6O10S3	702.1812	NA	PeJP	NA	NA
+PJ018833	SCCEMM 	C24H42N6O10S4	702.1846	NA	PeJP	NA	NA
+PJ018834	CCCNNF 	C26H38N8O9S3	702.1924	NA	PeJP	NA	NA
+MJ091162	Paulomycin F 	C29H38N2O16S	702.194203	NA	MeJP	NA	NA
+PJ018835	GSCCCCK 	C23H42N8O9S4	702.1958	NA	PeJP	NA	NA
+PJ018836	GCDDMY 	C27H38N6O12S2	702.1989	NA	PeJP	NA	NA
+PJ018837	PCCCMF 	C28H42N6O7S4	702.1998	NA	PeJP	NA	NA
+PJ018838	GCMMMM 	C25H46N6O7S5	702.2032	NA	PeJP	NA	NA
+PJ018839	TCCCHH 	C25H38N10O8S3	702.2037	NA	PeJP	NA	NA
+PJ018840	SDDDDH 	C25H34N8O16	702.2093	NA	PeJP	NA	NA
+PJ018841	SCCNNY 	C26H38N8O11S2	702.2102	NA	PeJP	NA	NA
+PJ018842	CCEYW 	C31H38N6O9S2	702.2142	NA	PeJP	NA	NA
+MJ091163	Aloesin; 2'-O-(4-Hydroxy-E-cinnamoyl), 7-O-?-D-glucopyranoside 	C34H38O16	702.215985	NA	MeJP	NA	NA
+MJ091164	Diphyllin; O-[2,3-Di-O-methyl-?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C34H38O16	702.215985	NA	MeJP	NA	NA
+MJ091165	Diphyllin; O-[?-D-Glucopyranosyl-(1?2)-3,4-di-O-methyl-D-xylopyranoside] 	C34H38O16	702.215985	NA	MeJP	NA	NA
+MJ091166	Diphyllin; O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-xylopyranoside] 	C34H38O16	702.215985	NA	MeJP	NA	NA
+MJ091167	Oleuropein; 10-Hydroxy, 6'-(4-hydroxy-E-cinnamoyl) 	C34H38O16	702.215985	NA	MeJP	NA	NA
+MJ091168	Senburiside I 	C34H38O16	702.215985	NA	MeJP	NA	NA
+PJ018843	SSCDEY 	C27H38N6O14S	702.2167	NA	PeJP	NA	NA
+PJ018844	SPCCMY 	C28H42N6O9S3	702.2176	NA	PeJP	NA	NA
+PJ018845	STCMMM 	C25H46N6O9S4	702.2209	NA	PeJP	NA	NA
+PJ018846	GDDEMH 	C26H38N8O13S	702.2279	NA	PeJP	NA	NA
+PJ018847	GCDDFF 	C31H38N6O11S	702.232	NA	PeJP	NA	NA
+PJ018848	GSDMMY 	C28H42N6O11S2	702.2353	NA	PeJP	NA	NA
+PJ018849	GCCHHF 	C29H38N10O7S2	702.2367	NA	PeJP	NA	NA
+MJ091169	Argylioside; 8,10-Didehydro 	C31H42O18	702.237114	NA	MeJP	NA	NA
+MJ091170	Nuezhenide; 3''-Hydroxy 	C31H42O18	702.237114	NA	MeJP	NA	NA
+MJ091171	Oleuropein; 10-Hydroxy, 3''-deoxy, 2'-?-D-glucopyranosyl 	C31H42O18	702.237114	NA	MeJP	NA	NA
+MJ091172	Oleuropein; 4''-O-?-D-Glucopyranoside 	C31H42O18	702.237114	NA	MeJP	NA	NA
+MJ091173	Oleuropein; 6'-O-?-D-Glucopyranosyl 	C31H42O18	702.237114	NA	MeJP	NA	NA
+PJ018850	SCNNEH 	C25H38N10O12S	702.2392	NA	PeJP	NA	NA
+MJ091174	Lyaloside; 6'-(4-Hydroxy-3-methoxycinnamoyl)(E-) 	C37H38N2O12	702.242474	NA	MeJP	NA	NA
+PJ018851	DDMHW 	C30H38N8O10S	702.2432	NA	PeJP	NA	NA
+PJ018852	SSDEEH 	C26H38N8O15	702.2457	NA	PeJP	NA	NA
+PJ018853	SPCEMH 	C27H42N8O10S2	702.2466	NA	PeJP	NA	NA
+PJ018854	NDEYY 	C31H38N6O13	702.2497	NA	PeJP	NA	NA
+PJ018855	TCMYW 	C32H42N6O8S2	702.2506	NA	PeJP	NA	NA
+PJ018856	SSSEMY 	C28H42N6O13S	702.2531	NA	PeJP	NA	NA
+PJ018857	QMMMY 	C29H46N6O8S3	702.2539	NA	PeJP	NA	NA
+PJ018858	GAMMMY 	C29H46N6O8S3	702.254	NA	PeJP	NA	NA
+PJ018859	GSCNHW 	C29H38N10O9S	702.2544	NA	PeJP	NA	NA
+PJ018860	GSSSNDH 	C25H38N10O14	702.2569	NA	PeJP	NA	NA
+PJ018861	GNNMMH 	C26H42N10O9S2	702.2578	NA	PeJP	NA	NA
+PJ018862	GPNDDW 	C30H38N8O12	702.261	NA	PeJP	NA	NA
+PJ018863	PPCCHF 	C31H42N8O7S2	702.2618	NA	PeJP	NA	NA
+PJ018864	GTEEMH 	C27H42N8O12S	702.2643	NA	PeJP	NA	NA
+PJ018865	GDYYW 	C35H38N6O10	702.265	NA	PeJP	NA	NA
+PJ018866	CMMRY 	C28H46N8O7S3	702.2652	NA	PeJP	NA	NA
+PJ018867	NNNNNN 	C24H38N12O13	702.2681	NA	PeJP	NA	NA
+PJ018868	GGNNNNN 	C24H38N12O13	702.2682	NA	PeJP	NA	NA
+PJ018869	GPTCYY 	C32H42N6O10S	702.2683	NA	PeJP	NA	NA
+MJ091175	4,4''-Bi(N-4-hydroxycinnamoylserotonin), 3',3'''-Dimethoxy 	C40H38N4O8	702.268964	NA	MeJP	NA	NA
+PJ018870	GCCQHR 	C25H42N12O8S2	702.269	NA	PeJP	NA	NA
+PJ018871	APEEEE 	C28H42N6O15	702.2708	NA	PeJP	NA	NA
+PJ018872	PVDDEE 	C28H42N6O15	702.2709	NA	PeJP	NA	NA
+PJ018873	GTTMMY 	C29H46N6O10S2	702.2717	NA	PeJP	NA	NA
+PJ018874	GNNDHF 	C29H38N10O11	702.2722	NA	PeJP	NA	NA
+PJ018875	SSNQMH 	C26H42N10O11S	702.2755	NA	PeJP	NA	NA
+PJ018876	GGGGSTMH 	C26H42N10O11S	702.2756	NA	PeJP	NA	NA
+MJ091176	25,26-Dimethylergostane-2,3,6-triol, Tri-O-sulfate 	C30H54O12S3	702.277739	NA	MeJP	NA	NA
+PJ018877	TEMHW 	C31H42N8O9S	702.2796	NA	PeJP	NA	NA
+PJ018878	STTEEH 	C27H42N8O14	702.2821	NA	PeJP	NA	NA
+PJ018879	AVDMMH 	C28H46N8O9S2	702.2829	NA	PeJP	NA	NA
+PJ018880	GVEMMH 	C28H46N8O9S2	702.283	NA	PeJP	NA	NA
+PJ018881	GSEHHH 	C28H38N12O10	702.2834	NA	PeJP	NA	NA
+PJ018882	GMFYW 	C36H42N6O7S	702.2836	NA	PeJP	NA	NA
+PJ018883	TQEYY 	C32H42N6O12	702.2861	NA	PeJP	NA	NA
+PJ018884	SSCNHR 	C25H42N12O10S	702.2868	NA	PeJP	NA	NA
+PJ018885	QMMFF 	C33H46N6O7S2	702.287	NA	PeJP	NA	NA
+MJ091177	Taccalonolide B; 15-Ac 	C36H46O14	702.288756	NA	MeJP	NA	NA
+MJ091178	Taccalonolide B; 7-Ac 	C36H46O14	702.288756	NA	MeJP	NA	NA
+MJ091179	Taccalonolide C 	C36H46O14	702.288756	NA	MeJP	NA	NA
+MJ091180	Taccalonolide I; 6-Ac 	C36H46O14	702.288756	NA	MeJP	NA	NA
+MJ091181	Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 12-Ac 	C36H46O14	702.288756	NA	MeJP	NA	NA
+MJ091182	Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 2-O-de-Ac, 1,12-di-Ac 	C36H46O14	702.288756	NA	MeJP	NA	NA
+MJ091183	Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 3-O-de-Ac, 1,12-di-Ac 	C36H46O14	702.288756	NA	MeJP	NA	NA
+C08635	Taccalonolide A	C36H46O14	702.2888	NA	KEGG	NA	NA
+PJ018886	STTTMY 	C29H46N6O12S	702.2895	NA	PeJP	NA	NA
+PJ018887	KMMMY 	C30H50N6O7S3	702.2903	NA	PeJP	NA	NA
+PJ018888	SPNDDR 	C26H42N10O13	702.2933	NA	PeJP	NA	NA
+PJ018889	EMMHR 	C27H46N10O8S2	702.2942	NA	PeJP	NA	NA
+PJ018890	GSPQEW 	C31H42N8O11	702.2973	NA	PeJP	NA	NA
+PJ018891	GGGGPPDF 	C31H42N8O11	702.2974	NA	PeJP	NA	NA
+MJ091184	Bisbutitiamine 	C32H46N8O6S2	702.298172	NA	MeJP	NA	NA
+MJ091185	Sulbutiamine 	C32H46N8O6S2	702.298172	NA	MeJP	NA	NA
+C12750	Bisibuthiamine	C32H46N8O6S2	702.2982	NA	KEGG	NA	NA
+C12751	Transferred to D01320	C32H46N8O6S2	702.2982	NA	KEGG	NA	NA
+C12752	Transferred to D01321	C32H46N8O6S2	702.2982	NA	KEGG	NA	NA
+PJ018892	VMMHW 	C32H46N8O6S2	702.2982	NA	PeJP	NA	NA
+PJ018893	SHHHW 	C32H38N12O7	702.2987	NA	PeJP	NA	NA
+PJ018894	SSLEMH 	C28H46N8O11S	702.3007	NA	PeJP	NA	NA
+PJ018895	ATYYW 	C36H42N6O9	702.3013	NA	PeJP	NA	NA
+PJ018896	GGPFYY 	C36H42N6O9	702.3014	NA	PeJP	NA	NA
+PJ018897	AAMHHH 	C29H42N12O7S	702.3021	NA	PeJP	NA	NA
+MJ091186	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 5-Cinnamoyl, 9-benzoyl, 2,7-di-Ac 	C40H46O11	702.304012	NA	MeJP	NA	NA
+PJ018898	GNNNER 	C25H42N12O12	702.3045	NA	PeJP	NA	NA
+PJ018899	GGGNNER 	C25H42N12O12	702.3046	NA	PeJP	NA	NA
+PJ018900	VQMYY 	C33H46N6O9S	702.3047	NA	PeJP	NA	NA
+PJ018901	GCCKHR 	C26H46N12O7S2	702.3054	NA	PeJP	NA	NA
+PJ018902	SPLEEE 	C29H46N6O14	702.3072	NA	PeJP	NA	NA
+PJ018903	PPVEMM 	C30H50N6O9S2	702.3081	NA	PeJP	NA	NA
+PJ018904	NQQQW 	C30H42N10O10	702.3086	NA	PeJP	NA	NA
+PJ018905	GPNEMR 	C27H46N10O10S	702.3119	NA	PeJP	NA	NA
+PJ018906	GGPVCDR 	C27H46N10O10S	702.312	NA	PeJP	NA	NA
+PJ018907	SPQWW 	C35H42N8O8	702.3126	NA	PeJP	NA	NA
+MJ091187	Nicotaxine; O5-(3-Amino-3-phenylpropanoyl) 	C39H46N2O10	702.315245	NA	MeJP	NA	NA
+PJ018908	AMRYY 	C32H46N8O8S	702.3159	NA	PeJP	NA	NA
+PJ018909	AAPQMW 	C32H46N8O8S	702.316	NA	PeJP	NA	NA
+PJ018910	GFFFW 	C40H42N6O6	702.3166	NA	PeJP	NA	NA
+PJ018911	SSPPTTN 	C28H46N8O13	702.3184	NA	PeJP	NA	NA
+PJ018912	SPNKEE 	C28H46N8O13	702.3185	NA	PeJP	NA	NA
+PJ018913	ATLMMH 	C29H50N8O8S2	702.3193	NA	PeJP	NA	NA
+PJ018914	NNNRW 	C29H42N12O9	702.3198	NA	PeJP	NA	NA
+PJ018915	TKEYY 	C33H46N6O11	702.3225	NA	PeJP	NA	NA
+PJ018916	GPCDRR 	C26H46N12O9S	702.3232	NA	PeJP	NA	NA
+PJ018917	KMMFF 	C34H50N6O6S2	702.3234	NA	PeJP	NA	NA
+MJ091188	11,12-Dihydroxyhavanensin-28-oic acid, 11-(2-Methylpropanoyl), 1,7,12-tri-Ac, Me ester 	C37H50O13	702.325141	NA	MeJP	NA	NA
+MJ091189	11,12-Dihydroxyhavanensin-28-oic acid, 11-(2-Methylpropanoyl), 3,7,12-tri-Ac, Me ester 	C37H50O13	702.325141	NA	MeJP	NA	NA
+MJ091190	2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 23,24-Didehydro, 25-Ac, 2-O-?-D-glucopyranoside 	C37H50O13	702.325141	NA	MeJP	NA	NA
+MJ091191	Sambacein I 	C37H50O13	702.325141	NA	MeJP	NA	NA
+PJ018918	PVVEEM 	C30H50N6O11S	702.3259	NA	PeJP	NA	NA
+PJ018919	PNMRW 	C31H46N10O7S	702.3272	NA	PeJP	NA	NA
+MJ091192	22,23-Epoxyergost-9(11)-ene-3,6,20-triol, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C34H54O13S	702.328512	NA	MeJP	NA	NA
+MJ091193	3,6,20-Trihydroxyergost-9(11)-en-23-one, 3-O-?-D-Glucuronopyranoside, 6-O-sulfate 	C34H54O13S	702.328512	NA	MeJP	NA	NA
+PJ018920	AAQEER 	C27H46N10O12	702.3297	NA	PeJP	NA	NA
+PJ018921	PPCCKR 	C28H50N10O7S2	702.3306	NA	PeJP	NA	NA
+PJ018922	GSPKEW 	C32H46N8O10	702.3337	NA	PeJP	NA	NA
+PJ018923	TTTLMH 	C29H50N8O10S	702.3371	NA	PeJP	NA	NA
+PJ018924	VQFFY 	C37H46N6O8	702.3377	NA	PeJP	NA	NA
+PJ018925	NEERR 	C26H46N12O11	702.3409	NA	PeJP	NA	NA
+PJ018926	GGGGGDKR 	C26H46N12O11	702.341	NA	PeJP	NA	NA
+PJ018927	VKMYY 	C34H50N6O8S	702.3411	NA	PeJP	NA	NA
+MJ091194	Scandomeline 	C42H46N4O6	702.341735	NA	MeJP	NA	NA
+PJ018928	ALLEEE 	C30H50N6O13	702.3436	NA	PeJP	NA	NA
+PJ018929	VNERW 	C31H46N10O9	702.3449	NA	PeJP	NA	NA
+PJ018930	GGVERW 	C31H46N10O9	702.345	NA	PeJP	NA	NA
+PJ018931	GPDKMR 	C28H50N10O9S	702.3483	NA	PeJP	NA	NA
+PJ018932	SPKWW 	C36H46N8O7	702.349	NA	PeJP	NA	NA
+PJ018933	GSNNRR 	C25H46N14O10	702.3522	NA	PeJP	NA	NA
+PJ018934	APVCKW 	C33H50N8O7S	702.3523	NA	PeJP	NA	NA
+PJ018935	AAPKMW 	C33H50N8O7S	702.3524	NA	PeJP	NA	NA
+PJ018936	AVQKEE 	C29H50N8O12	702.3548	NA	PeJP	NA	NA
+PJ018937	GLQKEE 	C29H50N8O12	702.3549	NA	PeJP	NA	NA
+PJ018938	PPCKKM 	C30H54N8O7S2	702.3557	NA	PeJP	NA	NA
+PJ018939	GERRW 	C30H46N12O8	702.3562	NA	PeJP	NA	NA
+2675	substance P	RPKPQQFFGLMG	702.3587	MH2+	Inhouse_peptide	NA	peptide
+PJ018940	PPVVEY 	C34H50N6O10	702.3589	NA	PeJP	NA	NA
+PJ018941	GSPMRR 	C27H50N12O8S	702.3596	NA	PeJP	NA	NA
+PJ018942	GVRWW 	C35H46N10O6	702.3602	NA	PeJP	NA	NA
+MJ091195	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2-O-Acetyl-6-deoxy-?-L-ribo-hexopyranos-3-uloside) 	C38H54O12	702.361527	NA	MeJP	NA	NA
+MJ091196	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2-O-Acetyl-6-deoxy-?-L-ribo-hexopyranos-3-uloside) 	C38H54O12	702.361527	NA	MeJP	NA	NA
+PJ018943	PTLLEM 	C31H54N6O10S	702.3622	NA	PeJP	NA	NA
+PJ018944	LMHFR 	C32H50N10O6S	702.3636	NA	PeJP	NA	NA
+PJ018945	AAKEER 	C28H50N10O11	702.3661	NA	PeJP	NA	NA
+PJ018946	LQKEW 	C33H50N8O9	702.3701	NA	PeJP	NA	NA
+PJ018947	RRWW 	C34H46N12O5	702.3714	NA	PeJP	NA	NA
+PJ018948	APKKEM 	C30H54N8O9S	702.3735	NA	PeJP	NA	NA
+PJ018949	VKFFY 	C38H50N6O7	702.3741	NA	PeJP	NA	NA
+MJ091197	Antibiotic 6108C 	C34H58N2O11S	702.376131	NA	MeJP	NA	NA
+MJ091198	Nilgherron A; 3?-Acetoxy 	C42H54O9	702.376783	NA	MeJP	NA	NA
+PJ018950	DKERR 	C27H50N12O10	702.3773	NA	PeJP	NA	NA
+PJ018951	PPVLMF 	C35H54N6O7S	702.3775	NA	PeJP	NA	NA
+MJ091199	Undulatine; De(hydroxymethyl) 	C43H50N4O5	702.37812	NA	MeJP	NA	NA
+PJ018952	SLLLEE 	C31H54N6O12	702.38	NA	PeJP	NA	NA
+PJ018953	PVLLMM 	C32H58N6O7S2	702.3809	NA	PeJP	NA	NA
+PJ018954	VDKRW 	C32H50N10O8	702.3813	NA	PeJP	NA	NA
+PJ018955	GAPPPKH 	C32H50N10O8	702.3814	NA	PeJP	NA	NA
+MJ091200	Chalcomycin; 10,11-Dihydro 	C35H58O14	702.382656	NA	MeJP	NA	NA
+PJ018956	APTKMR 	C29H54N10O8S	702.3847	NA	PeJP	NA	NA
+PJ018957	ALKWW 	C37H50N8O6	702.3854	NA	PeJP	NA	NA
+PJ018958	SERRR 	C26H50N14O9	702.3886	NA	PeJP	NA	NA
+PJ018959	GLKKEE 	C30H54N8O11	702.3912	NA	PeJP	NA	NA
+PJ018960	SVRRW 	C31H50N12O7	702.3926	NA	PeJP	NA	NA
+PJ018961	PPTLLY 	C35H54N6O9	702.3953	NA	PeJP	NA	NA
+PJ018962	LQMRR 	C28H54N12O7S	702.3959	NA	PeJP	NA	NA
+PJ018963	GALMRR 	C28H54N12O7S	702.396	NA	PeJP	NA	NA
+MJ091201	16,23:16,24-Diepoxycycloart-7-ene-3,15,25-triol, 3-O-(2,4-Diacetyl-?-D-xylopyranoside) 	C39H58O11	702.397912	NA	MeJP	NA	NA
+PJ018964	VVLLEM 	C32H58N6O9S	702.3986	NA	PeJP	NA	NA
+MJ091202	3,16,20-Taraxastanetriol, 3-O-?-D-Glucopyranoside, 2'-sulfate 	C36H62O11S	702.401283	NA	MeJP	NA	NA
+MJ091203	3,20,28-Taraxastanetriol, 3-O-[2-O-Sulfo-?-D-glucopyranoside] 	C36H62O11S	702.401283	NA	MeJP	NA	NA
+PJ018965	GTLKER 	C29H54N10O10	702.4025	NA	PeJP	NA	NA
+PJ018966	LKKEW 	C34H54N8O8	702.4065	NA	PeJP	NA	NA
+PJ018967	CLRRR 	C27H54N14O6S	702.4072	NA	PeJP	NA	NA
+PJ018968	SPLKKM 	C31H58N8O8S	702.4099	NA	PeJP	NA	NA
+PJ018969	GTTLRR 	C28H54N12O9	702.4137	NA	PeJP	NA	NA
+PJ018970	TLKRW 	C33H54N10O7	702.4177	NA	PeJP	NA	NA
+MJ091204	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-(Argininylsuberoyl) 	C37H58N4O9	702.420379	NA	MeJP	NA	NA
+PJ018971	GVLKMR 	C30H58N10O7S	702.4211	NA	PeJP	NA	NA
+PJ018972	SVLKKE 	C31H58N8O10	702.4276	NA	PeJP	NA	NA
+PJ018973	PKFRR 	C32H54N12O6	702.429	NA	PeJP	NA	NA
+PJ018974	PVVLLY 	C36H58N6O8	702.4316	NA	PeJP	NA	NA
+PJ018975	LKMRR 	C29H58N12O6S	702.4323	NA	PeJP	NA	NA
+PJ018976	TLLLLM 	C33H62N6O8S	702.435	NA	PeJP	NA	NA
+PJ018977	SSLLKR 	C30H58N10O9	702.4388	NA	PeJP	NA	NA
+PJ018978	VVTTKR 	C30H58N10O9	702.4389	NA	PeJP	NA	NA
+PJ018979	APLKKF 	C35H58N8O7	702.4429	NA	PeJP	NA	NA
+PJ018980	ALLKKM 	C32H62N8O7S	702.4463	NA	PeJP	NA	NA
+PJ018981	GSKKKR 	C29H58N12O8	702.4501	NA	PeJP	NA	NA
+MJ091205	Kulomoopunalide 2 	C38H62N4O8	702.456764	NA	MeJP	NA	NA
+PJ018982	TTLLKK 	C32H62N8O9	702.464	NA	PeJP	NA	NA
+PJ018983	VVLLLF 	C37H62N6O7	702.468	NA	PeJP	NA	NA
+MJ091206	Spirangiene A 	C41H66O9	702.470683	NA	MeJP	NA	NA
+PJ018984	ATKKKK 	C31H62N10O8	702.4752	NA	PeJP	NA	NA
+MJ091207	Bistramide A; 39-Ketone 	C40H66N2O8	702.481917	NA	MeJP	NA	NA
+MJ091208	1,2-Di-O-acylglycerols; Glycerol 1-hexadecanoate 2-tetradecanoate, 3-O-?-D-Galactopyranoside 	C39H74O10	702.528198	NA	MeJP	NA	NA
+MetaCyc04065	demethylmenaquinone-8 [DMK-8;demethylmenaquinone;]	C50H70O2	702.537581	NA	metacyc	NA	NA
+MetaCyc04066	ecdysone palmitate []	C43H74O7	702.543455	NA	metacyc	NA	NA
+C02681	Ecdysone palmitate	C43H74O7	702.5435	NA	KEGG	NA	NA
+C02682	Ferricytochrome c3	C43H74O7	702.5435	NA	KEGG	NA	NA
+C02683	Ferrileghemoglobin	C43H74O7	702.5435	NA	KEGG	NA	NA
+C02684	Ferrocytochrome c3	C43H74O7	702.5435	NA	KEGG	NA	NA
+C02685	Ferroleghemoglobin	C43H74O7	702.5435	NA	KEGG	NA	NA
+C02686	Galactosylceramide	C25H46NO8R	702.5435	NA	KEGG	NA	NA
+C02687	alpha-D-Glucosylglycogenin	C16H20N2O8R2	702.5435	NA	KEGG	NA	NA
+C02688	Glycerol monoester	C4H7O4R	702.5435	NA	KEGG	NA	NA
+C02690	Glycosphingolipid	C4H7O4R	702.5435	NA	KEGG	NA	NA
+HMDB07268	DG(18:2(9Z,12Z)/24:1(15Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07296	DG(18:3(6Z,9Z,12Z)/24:0/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07325	DG(18:3(9Z,12Z,15Z)/24:0/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07407	DG(20:1(11Z)/22:2(13Z,16Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07435	DG(20:2(11Z,14Z)/22:1(13Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07463	DG(20:3(5Z,8Z,11Z)/22:0/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07492	DG(20:3(8Z,11Z,14Z)/22:0/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07603	DG(22:0/20:3(5Z,8Z,11Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07604	DG(22:0/20:3(8Z,11Z,14Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07631	DG(22:1(13Z)/20:2(11Z,14Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07659	DG(22:2(13Z,16Z)/20:1(11Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07800	DG(24:0/18:3(6Z,9Z,12Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07801	DG(24:0/18:3(9Z,12Z,15Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+HMDB07828	DG(24:1(15Z)/18:2(9Z,12Z)/0:0)	C45H82O5	702.616211	NA	HMDB2010	NA	NA
+MJ091209	Glisoprenin A 	C45H82O5	702.616225	NA	MeJP	NA	NA
+MJ091210	24-Methylcycloart-25-en-3-ol, 9,12-Octadecadienoyl (Z,Z-) 	C49H82O2	702.631481	NA	MeJP	NA	NA
+MJ091211	28-Nonacosene-9,10-diol; 9-(9-Octadecenoyl)(Z-) 	C47H90O3	702.688996	NA	MeJP	NA	NA
+MJ091212	3-Hydroxy-11-eicosenyl 11-heptacosenoate 	C47H90O3	702.688996	NA	MeJP	NA	NA
+MJ091213	5-Nonatetracontanone 	C49H98O	702.761767	NA	MeJP	NA	NA
+PJ018985	GSCCCCE 	C22H37N7O11S4	703.1434	NA	PeJP	NA	NA
+PJ018986	SCCCCW 	C26H37N7O8S4	703.1587	NA	PeJP	NA	NA
+PJ018987	SSSCCCD 	C22H37N7O13S3	703.1612	NA	PeJP	NA	NA
+PJ018988	CCCNMM 	C23H41N7O8S5	703.162	NA	PeJP	NA	NA
+PJ018989	GGCCCMM 	C23H41N7O8S5	703.1621	NA	PeJP	NA	NA
+PJ018990	CCCNDF 	C26H37N7O10S3	703.1764	NA	PeJP	NA	NA
+PJ018991	GSTCCCM 	C23H41N7O10S4	703.1798	NA	PeJP	NA	NA
+PJ018992	SCCNDY 	C26H37N7O12S2	703.1942	NA	PeJP	NA	NA
+PJ018993	SSTTCCC 	C23H41N7O12S3	703.1975	NA	PeJP	NA	NA
+PJ018994	SSSSCCM 	C23H41N7O12S3	703.1976	NA	PeJP	NA	NA
+PJ018995	GCCQMY 	C27H41N7O9S3	703.2128	NA	PeJP	NA	NA
+PJ018996	CCNNNH 	C24H37N11O10S2	703.2167	NA	PeJP	NA	NA
+PJ018997	SCNDEH 	C25H37N9O13S	703.2232	NA	PeJP	NA	NA
+PJ018998	GCCCRY 	C26H41N9O8S3	703.2241	NA	PeJP	NA	NA
+PJ018999	PNDDDE 	C26H37N7O16	703.2297	NA	PeJP	NA	NA
+PJ019000	SSCNMY 	C27H41N7O11S2	703.2306	NA	PeJP	NA	NA
+PJ019001	DDEYY 	C31H37N5O14	703.2337	NA	PeJP	NA	NA
+PJ019002	EMMMY 	C29H45N5O9S3	703.238	NA	PeJP	NA	NA
+PJ019003	GSCDHW 	C29H37N9O10S	703.2384	NA	PeJP	NA	NA
+MJ091214	Rachelmycin 	C37H33N7O8	703.239061	NA	MeJP	NA	NA
+PJ019004	GSSSDDH 	C25H37N9O15	703.2409	NA	PeJP	NA	NA
+PJ019005	GNDMMH 	C26H41N9O10S2	703.2418	NA	PeJP	NA	NA
+PJ019006	GPDDDW 	C30H37N7O13	703.245	NA	PeJP	NA	NA
+PJ019007	GCCQFF 	C31H41N7O8S2	703.2458	NA	PeJP	NA	NA
+PJ019008	GSSSTCY 	C27H41N7O13S	703.2483	NA	PeJP	NA	NA
+PJ019009	GCCKMY 	C28H45N7O8S3	703.2492	NA	PeJP	NA	NA
+PJ019010	NNNNND 	C24H37N11O14	703.2522	NA	PeJP	NA	NA
+PJ019011	DEMFY 	C32H41N5O11S	703.2524	NA	PeJP	NA	NA
+MJ091215	Enacyloxin IIa; 15'-Alcohol 	C33H47Cl2NO11	703.252616	NA	MeJP	NA	NA
+MJ091216	Enacyloxin IIb; 15'-Alcohol 	C33H47Cl2NO11	703.252616	NA	MeJP	NA	NA
+PJ019012	ACCDHR 	C25H41N11O9S2	703.253	NA	PeJP	NA	NA
+PJ019013	GCCEHR 	C25H41N11O9S2	703.2531	NA	PeJP	NA	NA
+HMDB06826	Tetrahydrofolyl-[Glu](n)	C29H37N9O12	703.256165	NA	HMDB2010	NA	NA
+HMDB12290	Tetrahydropteroyltri-L-glutamate	C29H37N9O12	703.256165	NA	HMDB2010	NA	NA
+C04144	Tetrahydropteroyltri-L-glutamate	C29H37N9O12	703.2562	NA	KEGG	NA	NA
+PJ019014	GNDDHF 	C29H37N9O12	703.2562	NA	PeJP	NA	NA
+PJ019015	CQMHW 	C30H41N9O7S2	703.2571	NA	PeJP	NA	NA
+MJ091217	Cephabacin F; Cephabacin F4 	C26H41N9O12S	703.259538	NA	MeJP	NA	NA
+PJ019016	SSNEMH 	C26H41N9O12S	703.2596	NA	PeJP	NA	NA
+PJ019017	GCNHHH 	C27H37N13O8S	703.2609	NA	PeJP	NA	NA
+PJ019018	SPPCDW 	C31H41N7O10S	703.2636	NA	PeJP	NA	NA
+PJ019019	SSSSSSY 	C27H41N7O15	703.2661	NA	PeJP	NA	NA
+PJ019020	STCCKY 	C28H45N7O10S2	703.2669	NA	PeJP	NA	NA
+PJ019021	PPNDMM 	C28H45N7O10S2	703.267	NA	PeJP	NA	NA
+PJ019022	CCHRW 	C29H41N11O6S2	703.2683	NA	PeJP	NA	NA
+PJ019023	TEEYY 	C32H41N5O13	703.2701	NA	PeJP	NA	NA
+PJ019024	SSCDHR 	C25H41N11O11S	703.2708	NA	PeJP	NA	NA
+PJ019025	PMMYY 	C33H45N5O8S2	703.271	NA	PeJP	NA	NA
+PJ019026	GSSMHW 	C30H41N9O9S	703.2748	NA	PeJP	NA	NA
+PJ019027	SPDDDR 	C26H41N9O14	703.2773	NA	PeJP	NA	NA
+PJ019028	GGGGGAAEE 	C26H41N9O14	703.2774	NA	PeJP	NA	NA
+PJ019029	PPCCER 	C27H45N9O9S2	703.2782	NA	PeJP	NA	NA
+PJ019030	GSSQYY 	C31H41N7O12	703.2813	NA	PeJP	NA	NA
+PJ019031	GSPEEW 	C31H41N7O12	703.2814	NA	PeJP	NA	NA
+PJ019032	APPCMW 	C32H45N7O7S2	703.2822	NA	PeJP	NA	NA
+PJ019033	APQEEM 	C28H45N7O12S	703.2847	NA	PeJP	NA	NA
+PJ019034	PDFYY 	C36H41N5O10	703.2854	NA	PeJP	NA	NA
+PJ019035	PPCNHH 	C29H41N11O8S	703.2861	NA	PeJP	NA	NA
+PJ019036	SNNNQQ 	C25H41N11O13	703.2885	NA	PeJP	NA	NA
+PJ019037	GNNDER 	C25H41N11O13	703.2886	NA	PeJP	NA	NA
+PJ019038	VEMYY 	C33H45N5O10S	703.2887	NA	PeJP	NA	NA
+PJ019039	GTCMHR 	C26H45N11O8S2	703.2894	NA	PeJP	NA	NA
+PJ019040	SSSTHW 	C30H41N9O11	703.2926	NA	PeJP	NA	NA
+PJ019041	CKMHW 	C31H45N9O6S2	703.2934	NA	PeJP	NA	NA
+PJ019042	SSDKMH 	C27H45N9O11S	703.2959	NA	PeJP	NA	NA
+PJ019043	GPDEMR 	C27H45N9O11S	703.296	NA	PeJP	NA	NA
+PJ019044	SPEWW 	C35H41N7O9	703.2966	NA	PeJP	NA	NA
+MJ091218	Naphthomycin B; Dechloro, 30,37-dihydroxy 	C39H45NO11	703.299261	NA	MeJP	NA	NA
+PJ019045	AAPEMW 	C32H45N7O9S	703.3	NA	PeJP	NA	NA
+PJ019046	GLQEEE 	C28H45N7O14	703.3025	NA	PeJP	NA	NA
+PJ019047	PPTQMM 	C29H49N7O9S2	703.3033	NA	PeJP	NA	NA
+PJ019048	PPCKEM 	C29H49N7O9S2	703.3034	NA	PeJP	NA	NA
+PJ019049	NNDRW 	C29H41N11O10	703.3038	NA	PeJP	NA	NA
+PJ019050	PMFFY 	C37H45N5O7S	703.304	NA	PeJP	NA	NA
+PJ019051	HHHHH 	C30H37N15O6	703.3052	NA	PeJP	NA	NA
+PJ019052	SSSMHR 	C26H45N11O10S	703.3072	NA	PeJP	NA	NA
+PJ019053	LMMFY 	C34H49N5O7S2	703.3074	NA	PeJP	NA	NA
+PJ019054	GQQWW 	C34H41N9O8	703.3078	NA	PeJP	NA	NA
+PJ019055	PDMRW 	C31H45N9O8S	703.3112	NA	PeJP	NA	NA
+PJ019056	AAEEER 	C27H45N9O13	703.3137	NA	PeJP	NA	NA
+PJ019057	PPTCMR 	C28H49N9O8S2	703.3146	NA	PeJP	NA	NA
+PJ019058	PCLWW 	C36H45N7O6S	703.3152	NA	PeJP	NA	NA
+PJ019059	LQEEW 	C32H45N7O11	703.3177	NA	PeJP	NA	NA
+PJ019060	PQHHW 	C33H41N11O7	703.3191	NA	PeJP	NA	NA
+PJ019061	APKEEM 	C29H49N7O11S	703.3211	NA	PeJP	NA	NA
+PJ019062	PVYYY 	C37H45N5O9	703.3217	NA	PeJP	NA	NA
+PJ019063	VEFFY 	C37H45N5O9	703.3218	NA	PeJP	NA	NA
+PJ019064	NMHFR 	C30H45N11O7S	703.3224	NA	PeJP	NA	NA
+PJ019065	GGMHFR 	C30H45N11O7S	703.3225	NA	PeJP	NA	NA
+PJ019066	DEERR 	C26H45N11O12	703.3249	NA	PeJP	NA	NA
+PJ019067	GGGGATER 	C26H45N11O12	703.325	NA	PeJP	NA	NA
+PJ019068	VDERW 	C31H45N9O10	703.329	NA	PeJP	NA	NA
+PJ019069	APTEMR 	C28H49N9O10S	703.3323	NA	PeJP	NA	NA
+PJ019070	GGGGPTKM 	C28H49N9O10S	703.3324	NA	PeJP	NA	NA
+PJ019071	ALEWW 	C36H45N7O8	703.333	NA	PeJP	NA	NA
+PJ019072	GSNDRR 	C25H45N13O11	703.3362	NA	PeJP	NA	NA
+PJ019073	CKKYY 	C33H49N7O8S	703.3363	NA	PeJP	NA	NA
+PJ019074	GPTLMW 	C33H49N7O8S	703.3364	NA	PeJP	NA	NA
+PJ019075	PFFFF 	C41H45N5O6	703.337	NA	PeJP	NA	NA
+PJ019076	SPPTTTT 	C29H49N7O13	703.3388	NA	PeJP	NA	NA
+PJ019077	GLKEEE 	C29H49N7O13	703.3389	NA	PeJP	NA	NA
+PJ019078	PPTKMM 	C30H53N7O8S2	703.3397	NA	PeJP	NA	NA
+PJ019079	SQQRW 	C30H45N11O9	703.3402	NA	PeJP	NA	NA
+PJ019080	LMFFF 	C38H49N5O6S	703.3404	NA	PeJP	NA	NA
+8282	Antioxidative peptide	ISELGW	703.342	NA  ;SYN:(+/-)-2-Aminoadipate; (+/-)-2-Aminoadipic acid; 2-Aminoadipate; 2-Aminoadipic acid; Aminoadipate; DL-2-Aminoadipate; DL-2-Aminoadipic acid; DL-2-Aminohexanedioate; DL-2-Aminohexanedioic acid; DL-a-Aminoadipate; DL-a-Aminoadipic acid; a-Aminoadipate; a-Aminoadipic acid; alpha-Amino-adipic acid; DL-alpha-Aminoadipate; DL-alpha-Aminoadipic acid; alpha-Aminoadipate; alpha-Aminoadipic acid; L-2-aminoadipate; L-alpha-Aminoadipate; L-alpha-Aminoadipic acid; L-2-Aminoadipic acid; L-2-Aminohexanedioate; L-2-Aminohexanedioic acidH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ019081	AAQQMR 	C27H49N11O9S	703.3436	NA	PeJP	NA	NA
+PJ019082	GQKWW 	C35H45N9O7	703.3442	NA	PeJP	NA	NA
+PJ019083	GPPMFR 	C32H49N9O7S	703.3476	NA	PeJP	NA	NA
+PJ019084	GTLEER 	C28H49N9O12	703.3501	NA	PeJP	NA	NA
+PJ019085	GPLMMR 	C29H53N9O7S2	703.351	NA	PeJP	NA	NA
+PJ019086	GPTHHR 	C29H45N13O8	703.3514	NA	PeJP	NA	NA
+PJ019087	LKEEW 	C33H49N7O10	703.3541	NA	PeJP	NA	NA
+PJ019088	NQMRR 	C26H49N13O8S	703.3548	NA	PeJP	NA	NA
+PJ019089	PKHHW 	C34H45N11O6	703.3555	NA	PeJP	NA	NA
+PJ019090	SPLKEM 	C30H53N7O10S	703.3575	NA	PeJP	NA	NA
+PJ019091	VLFYY 	C38H49N5O8	703.3581	NA	PeJP	NA	NA
+PJ019092	GSQKER 	C27H49N11O11	703.3613	NA	PeJP	NA	NA
+PJ019093	GGGGGGSKK 	C27H49N11O11	703.3614	NA	PeJP	NA	NA
+PJ019094	TLERW 	C32H49N9O9	703.3653	NA	PeJP	NA	NA
+MJ091219	Leptinotarsa decemlineata Myotropic neuropeptide I 	C32H49N9O9	703.365324	NA	MeJP	NA	NA
+PJ019095	NKKEW 	C32H49N9O9	703.3654	NA	PeJP	NA	NA
+PJ019096	CNRRR 	C25H49N15O7S	703.366	NA	PeJP	NA	NA
+PJ019097	GGCRRR 	C25H49N15O7S	703.3661	NA	PeJP	NA	NA
+PJ019098	GVLEMR 	C29H53N9O9S	703.3687	NA	PeJP	NA	NA
+PJ019099	SLLWW 	C37H49N7O7	703.3694	NA	PeJP	NA	NA
+PJ019100	GSTQRR 	C26H49N13O10	703.3726	NA	PeJP	NA	NA
+PJ019101	AALLMW 	C34H53N7O7S	703.3728	NA	PeJP	NA	NA
+PJ019102	SVLKEE 	C30H53N7O12	703.3752	NA	PeJP	NA	NA
+PJ019103	VVTKEE 	C30H53N7O12	703.3753	NA	PeJP	NA	NA
+PJ019104	PVVKMM 	C31H57N7O7S2	703.3761	NA	PeJP	NA	NA
+PJ019105	SQKRW 	C31H49N11O8	703.3766	NA	PeJP	NA	NA
+PJ019106	LEMRR 	C28H53N11O8S	703.38	NA	PeJP	NA	NA
+PJ019107	GKKWW 	C36H49N9O6	703.3806	NA	PeJP	NA	NA
+PJ019108	VLMRW 	C33H53N9O6S	703.384	NA	PeJP	NA	NA
+PJ019109	SSLLER 	C29H53N9O11	703.3865	NA	PeJP	NA	NA
+PJ019110	AALHHR 	C30H49N13O7	703.3878	NA	PeJP	NA	NA
+MJ091220	Citrusin I 	C34H53N7O9	703.390476	NA	MeJP	NA	NA
+PJ019111	ATTLLW 	C34H53N7O9	703.3905	NA	PeJP	NA	NA
+PJ019112	NKMRR 	C27H53N13O7S	703.3912	NA	PeJP	NA	NA
+PJ019113	ALLKEM 	C31H57N7O9S	703.3939	NA	PeJP	NA	NA
+MJ091221	Antibiotic M 6124 	C39H53N5O7	703.394499	NA	MeJP	NA	NA
+PJ019114	GSKKER 	C28H53N11O10	703.3977	NA	PeJP	NA	NA
+PJ019115	VHHRR 	C29H49N15O6	703.3991	NA	PeJP	NA	NA
+PJ019116	DKKKW 	C33H53N9O8	703.4017	NA	PeJP	NA	NA
+PJ019117	GGAPKKF 	C33H53N9O8	703.4018	NA	PeJP	NA	NA
+PJ019118	ATLLMR 	C30H57N9O8S	703.4051	NA	PeJP	NA	NA
+PJ019119	GSTKRR 	C27H53N13O9	703.409	NA	PeJP	NA	NA
+PJ019120	TTLLKE 	C31H57N7O11	703.4116	NA	PeJP	NA	NA
+PJ019121	SKKRW 	C32H53N11O7	703.413	NA	PeJP	NA	NA
+MJ091222	Oleandomycin; 6-Hydroxy 	C35H61NO13	703.414291	NA	MeJP	NA	NA
+PJ019122	AAKKMR 	C29H57N11O7S	703.4164	NA	PeJP	NA	NA
+PJ019123	TTTLLR 	C30H57N9O10	703.4229	NA	PeJP	NA	NA
+PJ019124	APLLKY 	C35H57N7O8	703.4269	NA	PeJP	NA	NA
+C15709	Spinosyn P	C39H61NO10	703.4295	NA	KEGG	NA	NA
+MJ091223	Spinosyn; Spinosyn A, 2',3'-Di-O-de-Me 	C39H61NO10	703.429547	NA	MeJP	NA	NA
+MJ091224	Spinosyn; Spinosyn A, 3',4'-Di-O-de-Me 	C39H61NO10	703.429547	NA	MeJP	NA	NA
+MJ091225	Spinosyn; Spinosyn A, O3',N-Di-de-Me 	C39H61NO10	703.429547	NA	MeJP	NA	NA
+MJ091226	Spinosyn; Spinosyn E, 2'-O-De-Me 	C39H61NO10	703.429547	NA	MeJP	NA	NA
+MJ091227	Spinosyn; Spinosyn E, 4'-O-De-Me 	C39H61NO10	703.429547	NA	MeJP	NA	NA
+PJ019125	SLLLKM 	C32H61N7O8S	703.4303	NA	PeJP	NA	NA
+MJ091228	Carmabin A 	C40H57N5O6	703.430884	NA	MeJP	NA	NA
+PJ019126	ATTKKR 	C29H57N11O9	703.4341	NA	PeJP	NA	NA
+PJ019127	GVLLFR 	C34H57N9O7	703.4381	NA	PeJP	NA	NA
+PJ019128	GLKKKM 	C31H61N9O7S	703.4415	NA	PeJP	NA	NA
+HMDB12344	PS(14:1(9Z)/16:1(9Z))	C36H66NO10P	703.442444	NA	HMDB2010	NA	NA
+HMDB12364	PS(16:1(9Z)/14:1(9Z))	C36H66NO10P	703.442444	NA	HMDB2010	NA	NA
+PJ019129	LLFRR 	C33H57N11O6	703.4494	NA	PeJP	NA	NA
+MJ091229	Erythromycin D 	C36H65NO12	703.450676	NA	MeJP	NA	NA
+MJ091230	15-Norerythromycin A; 6-Deoxy 	C36H65NO12	703.450676	NA	MeJP	NA	NA
+MJ091231	2-Norerythromycin; 12-Deoxy 	C36H65NO12	703.450676	NA	MeJP	NA	NA
+MJ091232	Antibiotic P 15149 	C36H65NO12	703.450676	NA	MeJP	NA	NA
+MJ091233	Erythromycin D 	C36H65NO12	703.450676	NA	MeJP	NA	NA
+MJ091234	Erythromycin; 6-Deoxy, 3''-O-de-Me 	C36H65NO12	703.450676	NA	MeJP	NA	NA
+C06633	Erythromycin D	C36H65NO12	703.4507	NA	KEGG	NA	NA
+MJ091235	Microginin 91C 	C37H61N5O8	703.452013	NA	MeJP	NA	NA
+PJ019130	VTTKKK 	C31H61N9O9	703.4592	NA	PeJP	NA	NA
+PJ019131	STLKKK 	C31H61N9O9	703.4593	NA	PeJP	NA	NA
+MJ091236	Heterophyllin C 	C36H61N7O7	703.463247	NA	MeJP	NA	NA
+PJ019132	ALLLKF 	C36H61N7O7	703.4633	NA	PeJP	NA	NA
+HMDB07870	PC(14:0/16:1(9Z))	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB07902	PC(14:1(9Z)/16:0)	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB07966	PC(16:0/14:1(9Z))	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB07998	PC(16:1(9Z)/14:0)	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB08893	PE(15:0/18:1(11Z))	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB08894	PE(15:0/18:1(9Z))	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB09021	PE(18:1(11Z)/15:0)	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB09054	PE(18:1(9Z)/15:0)	C38H74NO8P	703.515198	NA	HMDB2010	NA	NA
+HMDB07961	PC(15:0/P-16:0)	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB08950	PE(16:0/P-18:0)	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB09015	PE(18:0/P-16:0)	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB11157	PE(P-16:0e/18:1(9Z))	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB11205	PC(P-16:0/15:0)	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB11340	PE(P-16:0/18:0)	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB11371	PE(P-18:0/16:0)	C39H78NO7P	703.551575	NA	HMDB2010	NA	NA
+HMDB10169	SM(d18:1/16:0)	C39H80N2O6P	703.575378	NA	HMDB2010	NA	NA
+EUR1064	SM(d18:1/16:0) monoisotopic mass 	C39H80N2O6P	703.575401	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1064	SM(d18:1/16:0) monoisotopic mass 	C39H80N2O6P	703.575401	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1064	SM(d18:1/16:0) monoisotopic mass 	C39H80N2O6P	703.575401	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1064	SM(d18:1/16:0) monoisotopic mass 	C39H80N2O6P	703.575401	masses lipides attendues	Inhousejuil11	NA	NA
+7026	synthetic peptide from alpha-gliadin	HNVVHAIILHQQ	703.87895	MH2+	Inhouse_peptide	NA	peptide
+PJ019133	GCCCCCN 	C21H36N8O9S5	704.1209	NA	PeJP	NA	NA
+FL5FADGSS002	Isorhamnetin 3-(4''-sulfatorutinoside);Quercetin 3'-methyl ether 3-(4''-sulfatorutinoside);3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-sulfo-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C28H32O19S	704.12584	183552-43-4	knapsack	NA	NA
+MJ091237	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 4''-O-sulfate 	C28H32O19S	704.125849	NA	MeJP	NA	NA
+MJ091238	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, O-sulfate 	C28H32O19S	704.125849	NA	MeJP	NA	NA
+PJ019134	CCCDMM 	C23H40N6O9S5	704.1461	NA	PeJP	NA	NA
+PJ019135	CCCDDF 	C26H36N6O11S3	704.1605	NA	PeJP	NA	NA
+PJ019136	CCCCHH 	C24H36N10O7S4	704.1652	NA	PeJP	NA	NA
+MJ091239	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3''-Deoxy, 7''-O-?-D-glucopyranoside 	C36H32O15	704.17412	NA	MeJP	NA	NA
+MJ091240	Diinsinin 	C36H32O15	704.17412	NA	MeJP	NA	NA
+MJ091241	Occidentoside 	C36H32O15	704.17412	NA	MeJP	NA	NA
+PJ019137	SCCDDY 	C26H36N6O13S2	704.1782	NA	PeJP	NA	NA
+PJ019138	SCCMMM 	C24H44N6O8S5	704.1824	NA	PeJP	NA	NA
+MJ091242	2-Amino-2-deoxyglucose; ?-D-Pyranose-form, Pentakis(3-pyridinecarbonyl) 	C36H28N6O10	704.186691	NA	MeJP	NA	NA
+MJ091243	Diphyllin; O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H36O17	704.195249	NA	MeJP	NA	NA
+PJ019139	GCCEMY 	C27H40N6O10S3	704.1968	NA	PeJP	NA	NA
+PJ019140	CCNNDH 	C24H36N10O11S2	704.2007	NA	PeJP	NA	NA
+PJ019141	SCDDEH 	C25H36N8O14S	704.2072	NA	PeJP	NA	NA
+PJ019142	PCCDMH 	C26H40N8O9S3	704.2081	NA	PeJP	NA	NA
+PJ019143	CCMYW 	C31H40N6O7S3	704.2121	NA	PeJP	NA	NA
+PJ019144	PDDDDE 	C26H36N6O17	704.2137	NA	PeJP	NA	NA
+PJ019145	SSCDMY 	C27H40N6O12S2	704.2146	NA	PeJP	NA	NA
+PJ019146	ACCMMF 	C28H44N6O7S4	704.2155	NA	PeJP	NA	NA
+PJ019147	GDDMMH 	C26H40N8O11S2	704.2258	NA	PeJP	NA	NA
+PJ019148	GPCCYY 	C31H40N6O9S2	704.2298	NA	PeJP	NA	NA
+PJ019149	GCCEFF 	C31H40N6O9S2	704.2299	NA	PeJP	NA	NA
+FLIF1LGF0002	Amorphigenin O-vicianoside;Amorphin;Fruticin;Frutitsin	C34H40O16	704.23163	4207-90-3	knapsack	NA	NA
+MJ091244	1,2,3,6,9,12,14-Heptahydroxy-8-oxodihydro-?-agarofuran, 12-Benzoyl, 1,2,3,6,9,14-hexa-Ac 	C34H40O16	704.231635	NA	MeJP	NA	NA
+MJ091245	Amorphigenin; O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H40O16	704.231635	NA	MeJP	NA	NA
+MJ091246	Bruceosin; 15-Deacyl, 15-benzoyl, 2-O-?-D-glucopyranoside 	C34H40O16	704.231635	NA	MeJP	NA	NA
+MJ091247	Trioxacarcin A; O13-Deglycosyl 	C34H40O16	704.231635	NA	MeJP	NA	NA
+PJ019150	GTCMMY 	C28H44N6O9S3	704.2332	NA	PeJP	NA	NA
+PJ019151	NNNNDD 	C24H36N10O15	704.2362	NA	PeJP	NA	NA
+PJ019152	SCNNMH 	C25H40N10O10S2	704.2371	NA	PeJP	NA	NA
+MJ091248	Itraconazole 	C35H38Cl2N8O4	704.239307	NA	MeJP	NA	NA
+PJ019153	GDDDHF 	C29H36N8O13	704.2402	NA	PeJP	NA	NA
+PJ019154	CEMHW 	C30H40N8O8S2	704.2411	NA	PeJP	NA	NA
+PJ019155	SSDEMH 	C26H40N8O13S	704.2436	NA	PeJP	NA	NA
+MJ091249	Antibiotic Sch 64874 	C34H44N2O10S2	704.243737	NA	MeJP	NA	NA
+PJ019156	SPCMMH 	C27H44N8O8S3	704.2444	NA	PeJP	NA	NA
+PJ019157	GCDHHH 	C27H36N12O9S	704.2449	NA	PeJP	NA	NA
+PJ019158	CCFFW 	C35H40N6O6S2	704.2451	NA	PeJP	NA	NA
+PJ019159	NDMYY 	C31H40N6O11S	704.2476	NA	PeJP	NA	NA
+PJ019160	SPDEEE 	C27H40N6O16	704.2501	NA	PeJP	NA	NA
+PJ019161	SSSMMY 	C28H44N6O11S2	704.251	NA	PeJP	NA	NA
+MJ091250	Argylioside 	C31H44O18	704.252764	NA	MeJP	NA	NA
+MJ091251	Catalpol 7-deoxyloganate 	C31H44O18	704.252764	NA	MeJP	NA	NA
+MJ091252	Glaucarubol; 18-Hydroxy, 2-ketone, 15-O-[?-D-xylofuranosyl-(1?6)-?-D-glucopyranoside] 	C31H44O18	704.252764	NA	MeJP	NA	NA
+PJ019162	GSSSCQH 	C25H40N10O12S	704.2548	NA	PeJP	NA	NA
+MJ091253	25-Methylergostane-2,3,6,15-tetrol, 2,3,6-Tri-O-sulfate 	C29H52O13S3	704.257003	NA	MeJP	NA	NA
+PJ019163	GPCNEW 	C30H40N8O10S	704.2588	NA	PeJP	NA	NA
+PJ019164	GNQEEE 	C26H40N8O15	704.2613	NA	PeJP	NA	NA
+PJ019165	GGGQEEE 	C26H40N8O15	704.2614	NA	PeJP	NA	NA
+PJ019166	GTEMMH 	C27H44N8O10S2	704.2622	NA	PeJP	NA	NA
+PJ019167	ACYYW 	C35H40N6O8S	704.2628	NA	PeJP	NA	NA
+PJ019168	SCFYW 	C35H40N6O8S	704.2629	NA	PeJP	NA	NA
+PJ019169	GSSEYY 	C31H40N6O13	704.2654	NA	PeJP	NA	NA
+PJ019170	NMMFY 	C32H44N6O8S2	704.2662	NA	PeJP	NA	NA
+MJ091254	Azadirachtin H; 11-Epimer, 11-Ac 	C35H44O15	704.26802	NA	MeJP	NA	NA
+MJ091255	Azadirachtin; 11-Deoxy 	C35H44O15	704.26802	NA	MeJP	NA	NA
+MJ091256	Azadirachtin; 13,14-Deepoxy(?13) 	C35H44O15	704.26802	NA	MeJP	NA	NA
+MJ091257	Woorenogenin; 9-O-[6-O-(4-Hydroxy-2-methylenebutanoyl)-?-D-glucopyranoside], 9'-Ac 	C35H44O15	704.26802	NA	MeJP	NA	NA
+PJ019171	APEEEM 	C28H44N6O13S	704.2687	NA	PeJP	NA	NA
+PJ019172	GCNQHF 	C29H40N10O9S	704.2701	NA	PeJP	NA	NA
+PJ019173	GNDDER 	C25H40N10O14	704.2726	NA	PeJP	NA	NA
+PJ019174	SCCQKH 	C26H44N10O9S2	704.2734	NA	PeJP	NA	NA
+PJ019175	GGTCCKH 	C26H44N10O9S2	704.2735	NA	PeJP	NA	NA
+PJ019176	PCNWW 	C34H40N8O7S	704.2741	NA	PeJP	NA	NA
+PJ019177	NQEEW 	C30H40N8O12	704.2766	NA	PeJP	NA	NA
+PJ019178	TMMHW 	C31H44N8O7S2	704.2775	NA	PeJP	NA	NA
+PJ019179	STTEMH 	C27H44N8O12S	704.28	NA	PeJP	NA	NA
+PJ019180	SSYYW 	C35H40N6O10	704.2806	NA	PeJP	NA	NA
+PJ019181	GVMMMH 	C28H48N8O7S3	704.2808	NA	PeJP	NA	NA
+PJ019182	GSMHHH 	C28H40N12O8S	704.2813	NA	PeJP	NA	NA
+PJ019183	TQMYY 	C32H44N6O10S	704.284	NA	PeJP	NA	NA
+PJ019184	GLEEEE 	C28H44N6O15	704.2865	NA	PeJP	NA	NA
+PJ019185	PPTEMM 	C29H48N6O10S2	704.2874	NA	PeJP	NA	NA
+PJ019186	NDDRW 	C29H40N10O11	704.2878	NA	PeJP	NA	NA
+PJ019187	GGGGGGASW 	C29H40N10O11	704.2879	NA	PeJP	NA	NA
+MJ091258	Jasminin; O-?-D-Glucopyranoside 	C32H48O17	704.28915	NA	MeJP	NA	NA
+PJ019188	SPCNER 	C26H44N10O11S	704.2912	NA	PeJP	NA	NA
+PJ019189	ANEWW 	C34H40N8O9	704.2918	NA	PeJP	NA	NA
+PJ019190	GQEWW 	C34H40N8O9	704.2919	NA	PeJP	NA	NA
+PJ019191	MMMHR 	C27H48N10O6S3	704.2921	NA	PeJP	NA	NA
+PJ019192	GSPQMW 	C31H44N8O9S	704.2952	NA	PeJP	NA	NA
+PJ019193	GNKEEE 	C27H44N8O14	704.2977	NA	PeJP	NA	NA
+PJ019194	SSLMMH 	C28H48N8O9S2	704.2986	NA	PeJP	NA	NA
+PJ019195	SSTHHH 	C28H40N12O10	704.2991	NA	PeJP	NA	NA
+PJ019196	NMFFF 	C36H44N6O7S	704.2992	NA	PeJP	NA	NA
+PJ019197	GGMFFF 	C36H44N6O7S	704.2993	NA	PeJP	NA	NA
+PJ019198	GTTTYY 	C32H44N6O12	704.3017	NA	PeJP	NA	NA
+PJ019199	LEEEW 	C32H44N6O12	704.3018	NA	PeJP	NA	NA
+PJ019200	GNNNMR 	C25H44N12O10S	704.3024	NA	PeJP	NA	NA
+PJ019201	GGGGGNMR 	C25H44N12O10S	704.3025	NA	PeJP	NA	NA
+PJ019202	PEHHW 	C33H40N10O8	704.3031	NA	PeJP	NA	NA
+MJ091259	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-Benzoyl, 2,14-bis(2-methylpropanoyl), 1,6,8-tri-Ac 	C36H48O14	704.304406	NA	MeJP	NA	NA
+MJ091260	Trichilia lactone D5 	C36H48O14	704.304406	NA	MeJP	NA	NA
+PJ019203	SPLEEM 	C29H48N6O12S	704.3051	NA	PeJP	NA	NA
+PJ019204	PPVMMM 	C30H52N6O7S3	704.306	NA	PeJP	NA	NA
+PJ019205	GSPCRW 	C30H44N10O8S	704.3065	NA	PeJP	NA	NA
+PJ019206	QWWW 	C38H40N8O6	704.3071	NA	PeJP	NA	NA
+PJ019207	SSQQQQ 	C26H44N10O13	704.3089	NA	PeJP	NA	NA
+PJ019208	GSQEER 	C26H44N10O13	704.309	NA	PeJP	NA	NA
+PJ019209	GPNMMR 	C27H48N10O8S2	704.3098	NA	PeJP	NA	NA
+PJ019210	CLHFW 	C35H44N8O6S	704.3105	NA	PeJP	NA	NA
+PJ019211	NKEEW 	C31H44N8O11	704.313	NA	PeJP	NA	NA
+PJ019212	QHHHF 	C32H40N12O7	704.3143	NA	PeJP	NA	NA
+PJ019213	SPNKEM 	C28H48N8O11S	704.3163	NA	PeJP	NA	NA
+PJ019214	GGSPKEM 	C28H48N8O11S	704.3164	NA	PeJP	NA	NA
+PJ019215	VNFYY 	C36H44N6O9	704.317	NA	PeJP	NA	NA
+PJ019216	GSDDRR 	C25H44N12O12	704.3202	NA	PeJP	NA	NA
+PJ019217	TKMYY 	C33H48N6O9S	704.3204	NA	PeJP	NA	NA
+PJ019218	APCCRR 	C26H48N12O7S2	704.3211	NA	PeJP	NA	NA
+PJ019219	SVLEEE 	C29H48N6O14	704.3229	NA	PeJP	NA	NA
+PJ019220	PVVEMM 	C30H52N6O9S2	704.3238	NA	PeJP	NA	NA
+PJ019221	SQERW 	C30H44N10O10	704.3242	NA	PeJP	NA	NA
+MJ091261	Orthoesterol B; Disulfate 	C34H56O11S2	704.326404	NA	MeJP	NA	NA
+PJ019222	AAQEMR 	C27H48N10O10S	704.3276	NA	PeJP	NA	NA
+PJ019223	GKEWW 	C35H44N8O8	704.3282	NA	PeJP	NA	NA
+PJ019224	GGAAPFW 	C35H44N8O8	704.3283	NA	PeJP	NA	NA
+MJ091262	Kidamycin; 1',S,2'S-Epoxide 	C39H48N2O10	704.330895	NA	MeJP	NA	NA
+PJ019225	GSPKMW 	C32H48N8O8S	704.3316	NA	PeJP	NA	NA
+PJ019226	GDKKEE 	C28H48N8O13	704.3341	NA	PeJP	NA	NA
+PJ019227	APQKMM 	C29H52N8O8S2	704.335	NA	PeJP	NA	NA
+PJ019228	GVQQHH 	C29H44N12O9	704.3355	NA	PeJP	NA	NA
+PJ019229	SPPLEY 	C33H48N6O11	704.3381	NA	PeJP	NA	NA
+PJ019230	NEMRR 	C26H48N12O9S	704.3388	NA	PeJP	NA	NA
+PJ019231	GTRWW 	C34H44N10O7	704.3395	NA	PeJP	NA	NA
+MJ091263	2,3,16,20,25-Pentahydroxy-29-norcucurbita-1,3,5(10),6-tetraene-11,22-dione, 25-Ac, 2-O-?-D-glucopyranoside 	C37H52O13	704.340791	NA	MeJP	NA	NA
+MJ091264	Aquastatin B; 4'-O-?-D-Glucuronopyranoside, 6''-Me ester 	C37H52O13	704.340791	NA	MeJP	NA	NA
+MJ091265	Fevicordin F; 22-Ketone, O25-Ac, 2-O-?-D-glucopyranoside 	C37H52O13	704.340791	NA	MeJP	NA	NA
+MJ091266	Fevicordin F; 6,7-Didehydro, 25-Ac, 3-O-?-D-glucopyranoside 	C37H52O13	704.340791	NA	MeJP	NA	NA
+MJ091267	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-6-deoxy-?-D-glucopyranoside] 	C37H52O13	704.340791	NA	MeJP	NA	NA
+MJ091268	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-?-D-fucopyranoside] 	C37H52O13	704.340791	NA	MeJP	NA	NA
+MJ091269	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Angeloyl-?-D-fucopyranosyl-(1?3)-2,4-di-O-angeloyl-?-D-fucopyranoside] 	C37H52O13	704.340791	NA	MeJP	NA	NA
+PJ019232	ALLEEM 	C30H52N6O11S	704.3415	NA	PeJP	NA	NA
+PJ019233	VNMRW 	C31H48N10O7S	704.3428	NA	PeJP	NA	NA
+PJ019234	GGVMRW 	C31H48N10O7S	704.3429	NA	PeJP	NA	NA
+PJ019235	KWWW 	C39H44N8O5	704.3435	NA	PeJP	NA	NA
+MJ091270	Ergosta-4,22-diene-3,6,8,15,16,26-hexol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate 	C34H56O13S	704.344162	NA	MeJP	NA	NA
+MJ091271	Ergosta-4,22-diene-3,6,8,15,16,28-hexol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate 	C34H56O13S	704.344162	NA	MeJP	NA	NA
+PJ019236	GSKEER 	C27H48N10O12	704.3453	NA	PeJP	NA	NA
+PJ019237	GASVTDR 	C27H48N10O12	704.3454	NA	PeJP	NA	NA
+PJ019238	APCKMR 	C28H52N10O7S2	704.3462	NA	PeJP	NA	NA
+PJ019239	QQHHR 	C28H44N14O8	704.3467	NA	PeJP	NA	NA
+PJ019240	DKKEW 	C32H48N8O10	704.3494	NA	PeJP	NA	NA
+PJ019241	CDRRR 	C25H48N14O8S	704.3501	NA	PeJP	NA	NA
+PJ019242	KHHHF 	C33H44N12O6	704.3507	NA	PeJP	NA	NA
+PJ019243	GLQKEM 	C29H52N8O10S	704.3527	NA	PeJP	NA	NA
+PJ019244	GGALKEM 	C29H52N8O10S	704.3528	NA	PeJP	NA	NA
+MJ091272	Antibiotic A 54556; Antibiotic A 54556B 	C37H48N6O8	704.353362	NA	MeJP	NA	NA
+PJ019245	TKFFY 	C37H48N6O8	704.3534	NA	PeJP	NA	NA
+PJ019246	GMRRW 	C30H48N12O6S	704.3541	NA	PeJP	NA	NA
+PJ019247	GSTERR 	C26H48N12O11	704.3566	NA	PeJP	NA	NA
+PJ019248	PPVVMY 	C34H52N6O8S	704.3568	NA	PeJP	NA	NA
+MJ091273	Peceyline 	C42H48N4O6	704.357385	NA	MeJP	NA	NA
+MJ091274	Pelankine 	C42H48N4O6	704.357385	NA	MeJP	NA	NA
+MJ091275	Tetrastachyne; 14,15-Didehydro 	C42H48N4O6	704.357385	NA	MeJP	NA	NA
+MJ091276	Tetrastachynine; 14,15-Didehydro 	C42H48N4O6	704.357385	NA	MeJP	NA	NA
+PJ019249	TTLLEE 	C30H52N6O13	704.3593	NA	PeJP	NA	NA
+PJ019250	PTLLMM 	C31H56N6O8S2	704.3601	NA	PeJP	NA	NA
+PJ019251	SKERW 	C31H48N10O9	704.3606	NA	PeJP	NA	NA
+PJ019252	AAKEMR 	C28H52N10O9S	704.364	NA	PeJP	NA	NA
+PJ019253	SVKWW 	C36H48N8O7	704.3646	NA	PeJP	NA	NA
+PJ019254	LQKMW 	C33H52N8O7S	704.368	NA	PeJP	NA	NA
+PJ019255	ATKKEE 	C29H52N8O12	704.3705	NA	PeJP	NA	NA
+PJ019256	APKKMM 	C30H56N8O7S2	704.3714	NA	PeJP	NA	NA
+PJ019257	STRRW 	C30H48N12O8	704.3718	NA	PeJP	NA	NA
+PJ019258	GAAPPHR 	C30H48N12O8	704.3719	NA	PeJP	NA	NA
+PJ019259	APLLEY 	C34H52N6O10	704.3745	NA	PeJP	NA	NA
+PJ019260	DKMRR 	C27H52N12O8S	704.3752	NA	PeJP	NA	NA
+PJ019261	LLHHW 	C35H48N10O6	704.3759	NA	PeJP	NA	NA
+MJ091277	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 16-O-(2-O-Acetyl-6-deoxy-?-L-ribo-hexopyranos-3-uloside) 	C38H56O12	704.377177	NA	MeJP	NA	NA
+PJ019262	SLLLEM 	C31H56N6O10S	704.3779	NA	PeJP	NA	NA
+PJ019263	CLKRW 	C32H52N10O6S	704.3792	NA	PeJP	NA	NA
+PJ019264	ATTKER 	C28H52N10O11	704.3817	NA	PeJP	NA	NA
+MJ091278	Reticulatine A; 16'-Deoxo 	C44H52N2O6	704.382537	NA	MeJP	NA	NA
+PJ019265	QKHHR 	C29H48N14O7	704.3831	NA	PeJP	NA	NA
+PJ019266	ASTLKW 	C33H52N8O9	704.3857	NA	PeJP	NA	NA
+PJ019267	GTTLKW 	C33H52N8O9	704.3858	NA	PeJP	NA	NA
+PJ019268	SMRRR 	C26H52N14O7S	704.3864	NA	PeJP	NA	NA
+PJ019269	GLKKEM 	C30H56N8O9S	704.3891	NA	PeJP	NA	NA
+MJ091279	3,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioic acid, Di-Me ester 	C38H52N6O7	704.389748	NA	MeJP	NA	NA
+PJ019270	PPVVFF 	C38H52N6O7	704.3898	NA	PeJP	NA	NA
+PJ019271	SSSLRR 	C27H52N12O10	704.393	NA	PeJP	NA	NA
+PJ019272	PVVLMF 	C35H56N6O7S	704.3932	NA	PeJP	NA	NA
+MJ091280	Alstocraline 	C43H52N4O5	704.39377	NA	MeJP	NA	NA
+MJ091281	Conoduramine 	C43H52N4O5	704.39377	NA	MeJP	NA	NA
+MJ091282	Conodurine 	C43H52N4O5	704.39377	NA	MeJP	NA	NA
+MJ091283	Macralstonine 	C43H52N4O5	704.39377	NA	MeJP	NA	NA
+MJ091284	Voacamidine 	C43H52N4O5	704.39377	NA	MeJP	NA	NA
+MJ091285	Voacamine 	C43H52N4O5	704.39377	NA	MeJP	NA	NA
+C09252	Voacamine	C43H52N4O5	704.3938	NA	KEGG	NA	NA
+PJ019273	VVLLMM 	C32H60N6O7S2	704.3965	NA	PeJP	NA	NA
+PJ019274	AAPKRY 	C32H52N10O8	704.397	NA	PeJP	NA	NA
+PJ019275	GTLKMR 	C29H56N10O8S	704.4004	NA	PeJP	NA	NA
+PJ019276	PKKFW 	C37H52N8O6	704.401	NA	PeJP	NA	NA
+PJ019277	LKKMW 	C34H56N8O6S	704.4044	NA	PeJP	NA	NA
+PJ019278	STLKKE 	C30H56N8O11	704.4069	NA	PeJP	NA	NA
+PJ019279	VQFRR 	C31H52N12O7	704.4082	NA	PeJP	NA	NA
+PJ019280	SPLLLY 	C35H56N6O9	704.4109	NA	PeJP	NA	NA
+MJ091286	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside] 	C39H60O11	704.413562	NA	MeJP	NA	NA
+PJ019281	STTLKR 	C29H56N10O10	704.4181	NA	PeJP	NA	NA
+PJ019282	AFRRR 	C30H52N14O6	704.4195	NA	PeJP	NA	NA
+PJ019283	GPLKKY 	C34H56N8O8	704.4221	NA	PeJP	NA	NA
+PJ019284	GGAILKF 	C34H56N8O8	704.4222	NA	PeJP	NA	NA
+PJ019285	SVLKKM 	C31H60N8O8S	704.4255	NA	PeJP	NA	NA
+PJ019286	AALKFR 	C33H56N10O7	704.4334	NA	PeJP	NA	NA
+PJ019287	ACKKKK 	C30H60N10O7S	704.4368	NA	PeJP	NA	NA
+PJ019288	VKFRR 	C32H56N12O6	704.4446	NA	PeJP	NA	NA
+PJ019289	ALLLLY 	C36H60N6O8	704.4473	NA	PeJP	NA	NA
+PJ019290	SSKKKK 	C30H60N10O9	704.4545	NA	PeJP	NA	NA
+PJ019291	GLLKKF 	C35H60N8O7	704.4585	NA	PeJP	NA	NA
+MJ091287	Minalemines; Minalemine C, N13-Sulfate 	C31H64N10O6S	704.4731	NA	MeJP	NA	NA
+MJ091288	12-Ursen-3-ol, O-[?-L-Rhamnopyranosyl-(1?5)-?-D-xylofuranoside] 	C41H68O9	704.486333	NA	MeJP	NA	NA
+MJ091289	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-(3,6-Anhydro-?-D-galacturonopyranoside) 	C41H68O9	704.486333	NA	MeJP	NA	NA
+MJ091290	Bistramide A 	C40H68N2O8	704.497567	NA	MeJP	NA	NA
+MJ091291	2,2'-Bis(4-hydroxy-3-methyl-2-butenyl)-?,?-carotene 	C50H72O2	704.553231	NA	MeJP	NA	NA
+MJ091292	2-(4-Hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-?,?-caroten-1'-ol 	C50H72O2	704.553231	NA	MeJP	NA	NA
+MJ091293	Bacterioruberin; 3'',3'''-Dideoxy, 2'',3'':2''',3'''-tetradehydro 	C50H72O2	704.553231	NA	MeJP	NA	NA
+MJ091294	Decaprenoxanthin 	C50H72O2	704.553231	NA	MeJP	NA	NA
+MJ091295	Okadaxanthin 	C50H72O2	704.553231	NA	MeJP	NA	NA
+MJ091296	Sarcinaxanthin 	C50H72O2	704.553231	NA	MeJP	NA	NA
+MJ091297	Cordiaquinone A; Hexacosanoyl 	C47H76O4	704.57436	NA	MeJP	NA	NA
+HMDB07210	DG(18:1(11Z)/24:1(15Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07239	DG(18:1(9Z)/24:1(15Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07267	DG(18:2(9Z,12Z)/24:0/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07378	DG(20:0/22:2(13Z,16Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07406	DG(20:1(11Z)/22:1(13Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07434	DG(20:2(11Z,14Z)/22:0/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07602	DG(22:0/20:2(11Z,14Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07630	DG(22:1(13Z)/20:1(11Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07658	DG(22:2(13Z,16Z)/20:0/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07799	DG(24:0/18:2(9Z,12Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07826	DG(24:1(15Z)/18:1(11Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB07827	DG(24:1(15Z)/18:1(9Z)/0:0)	C45H84O5	704.631897	NA	HMDB2010	NA	NA
+HMDB06737	CE(22:2(13Z,16Z))	C49H84O2	704.647156	NA	HMDB2010	NA	NA
+HMDB06737	Cholesteryl docosadienoic acid	C49H84O2	704.64716	http://www.hmdb.ca/metabolites/HMDB06737	HMDB	NA	NA
+HMDB06737	Cholesteryl docosadienoic acid	C49H84O2	704.64716	HMDB06737	PFEM_hmdb_metabocards_official	NA	NA
+MJ091298	Glycinoprenol 10 	C50H88O	704.683517	NA	MeJP	NA	NA
+MJ091299	1-Docosanol; Hexacosanoyl 	C48H96O2	704.741032	NA	MeJP	NA	NA
+MJ091300	24-Methylhexacosanoic acid; Heneicosyl ester 	C48H96O2	704.741032	NA	MeJP	NA	NA
+MJ091301	Tetracosanoic acid; Tetracosyl ester 	C48H96O2	704.741032	NA	MeJP	NA	NA
+MJ091302	Tritriacontanoic acid; Pentadecyl ester 	C48H96O2	704.741032	NA	MeJP	NA	NA
+3572	NA	FHSGIQSEPKAIP	704.857	MH2+	Inhouse_peptide	NA	peptide
+8289	Antioxidative peptide	GPLGLLGFLGPLGLS	704.9065	MH2+	Inhouse_peptide	NA	peptide
+8290	ACE inhibitor	GPLGLLGFLGPLGLS	704.9065	MH2+	Inhouse_peptide	NA	peptide
+3872	vespa-like peptide from R, Erythraea	FLPILGKILGGLLG	704.943	MH2+	Inhouse_peptide	NA	peptide
+PJ019292	GCCCCCD 	C21H35N7O10S5	705.1049	NA	PeJP	NA	NA
+PJ019293	GSCCCCM 	C22H39N7O9S5	705.1413	NA	PeJP	NA	NA
+PJ019294	SSTCCCC 	C22H39N7O11S4	705.1591	NA	PeJP	NA	NA
+PJ019295	CCCCQF 	C26H39N7O8S4	705.1743	NA	PeJP	NA	NA
+MJ091303	Celenamide C 	C34H36BrN5O7	705.179811	NA	MeJP	NA	NA
+PJ019296	CCNDDH 	C24H35N9O12S2	705.1847	NA	PeJP	NA	NA
+PJ019297	SCCCQY 	C26H39N7O10S3	705.1921	NA	PeJP	NA	NA
+PJ019298	GSPCCCH 	C25H39N9O9S3	705.2033	NA	PeJP	NA	NA
+PJ019299	GSSSCCY 	C26H39N7O12S2	705.2098	NA	PeJP	NA	NA
+PJ019300	GPPCCDD 	C26H39N7O12S2	705.2099	NA	PeJP	NA	NA
+PJ019301	CCCCKF 	C27H43N7O7S4	705.2107	NA	PeJP	NA	NA
+PJ019302	NNNDDD 	C24H35N9O16	705.2202	NA	PeJP	NA	NA
+PJ019303	SCNDMH 	C25H39N9O11S2	705.2211	NA	PeJP	NA	NA
+PJ019304	GCCNFY 	C30H39N7O9S2	705.2251	NA	PeJP	NA	NA
+PJ019305	PNDDDM 	C26H39N7O14S	705.2276	NA	PeJP	NA	NA
+PJ019306	SCCCKY 	C27H43N7O9S3	705.2285	NA	PeJP	NA	NA
+PJ019307	DDMYY 	C31H39N5O12S	705.2316	NA	PeJP	NA	NA
+PJ019308	MMMMY 	C29H47N5O7S4	705.2358	NA	PeJP	NA	NA
+PJ019309	GTCCHW 	C29H39N9O8S2	705.2363	NA	PeJP	NA	NA
+PJ019310	GSSSCEH 	C25H39N9O13S	705.2388	NA	PeJP	NA	NA
+PJ019311	GGGGGSPCD 	C25H39N9O13S	705.2389	NA	PeJP	NA	NA
+PJ019312	GCQMMH 	C26H43N9O8S3	705.2397	NA	PeJP	NA	NA
+PJ019313	GSCNYY 	C30H39N7O11S	705.2428	NA	PeJP	NA	NA
+PJ019314	GPCDEW 	C30H39N7O11S	705.2429	NA	PeJP	NA	NA
+PJ019315	GNEEEE 	C26H39N7O16	705.2454	NA	PeJP	NA	NA
+PJ019316	GSPPCDM 	C27H43N7O11S2	705.2462	NA	PeJP	NA	NA
+PJ019317	CNNNNQ 	C24H39N11O12S	705.2501	NA	PeJP	NA	NA
+PJ019318	DMMFY 	C32H43N5O9S2	705.2502	NA	PeJP	NA	NA
+PJ019319	GCCMHR 	C25H43N11O7S3	705.2509	NA	PeJP	NA	NA
+PJ019320	SSSCHW 	C29H39N9O10S	705.2541	NA	PeJP	NA	NA
+PJ019321	GDDDER 	C25H39N9O15	705.2566	NA	PeJP	NA	NA
+PJ019322	STCQMH 	C26H43N9O10S2	705.2574	NA	PeJP	NA	NA
+PJ019323	SSNMMH 	C26H43N9O10S2	705.2575	NA	PeJP	NA	NA
+PJ019324	PCDWW 	C34H39N7O8S	705.2581	NA	PeJP	NA	NA
+PJ019325	NEEEW 	C30H39N7O13	705.2606	NA	PeJP	NA	NA
+PJ019326	PPTCCW 	C31H43N7O8S2	705.2615	NA	PeJP	NA	NA
+PJ019327	SPNEEM 	C27H43N7O13S	705.264	NA	PeJP	NA	NA
+C06769	Vibriobactin	C35H39N5O11	705.2646	NA	KEGG	NA	NA
+PJ019328	DDFFY 	C35H39N5O11	705.2646	NA	PeJP	NA	NA
+MJ091304	Vibriobactin 	C35H39N5O11	705.264607	NA	MeJP	NA	NA
+MetaCyc04067	vibriobactin []	C35H39N5O11	705.264607	NA	metacyc	NA	NA
+PJ019329	PPCQMM 	C28H47N7O8S3	705.2649	NA	PeJP	NA	NA
+PJ019330	GSSNNNN 	C24H39N11O14	705.2678	NA	PeJP	NA	NA
+PJ019331	GGGGGGGGGSS 	C24H39N11O14	705.2679	NA	PeJP	NA	NA
+PJ019332	TEMYY 	C32H43N5O11S	705.268	NA	PeJP	NA	NA
+PJ019333	STCCHR 	C25H43N11O9S2	705.2687	NA	PeJP	NA	NA
+PJ019334	MMMFF 	C33H47N5O6S3	705.2689	NA	PeJP	NA	NA
+PJ019335	CNHFW 	C33H39N9O7S	705.2693	NA	PeJP	NA	NA
+PJ019336	GGCHFW 	C33H39N9O7S	705.2694	NA	PeJP	NA	NA
+MJ091305	Naphthomycin B 	C39H44ClNO9	705.270459	NA	MeJP	NA	NA
+PJ019337	DDDRW 	C29H39N9O12	705.2718	NA	PeJP	NA	NA
+PJ019338	GGGSNEW 	C29H39N9O12	705.2719	NA	PeJP	NA	NA
+PJ019339	SPCDER 	C26H43N9O12S	705.2752	NA	PeJP	NA	NA
+PJ019340	GEEWW 	C34H39N7O10	705.2759	NA	PeJP	NA	NA
+PJ019341	PPCCMR 	C27H47N9O7S3	705.2761	NA	PeJP	NA	NA
+MJ091306	Lissoclinamide 1 	C35H43N7O5S2	705.276708	NA	MeJP	NA	NA
+PJ019342	GSPEMW 	C31H43N7O10S	705.2792	NA	PeJP	NA	NA
+PJ019343	ATQEEE 	C27H43N7O15	705.2817	NA	PeJP	NA	NA
+PJ019344	GDKEEE 	C27H43N7O15	705.2818	NA	PeJP	NA	NA
+PJ019345	APQEMM 	C28H47N7O10S2	705.2826	NA	PeJP	NA	NA
+PJ019346	SPNDHH 	C28H39N11O11	705.2831	NA	PeJP	NA	NA
+PJ019347	DMFFF 	C36H43N5O8S	705.2833	NA	PeJP	NA	NA
+PJ019348	GCNQER 	C25H43N11O11S	705.2864	NA	PeJP	NA	NA
+PJ019349	GNNDMR 	C25H43N11O11S	705.2865	NA	PeJP	NA	NA
+PJ019350	VMMYY 	C33H47N5O8S2	705.2866	NA	PeJP	NA	NA
+PJ019351	SNNWW 	C33H39N9O9	705.2871	NA	PeJP	NA	NA
+PJ019352	NQQMW 	C30H43N9O9S	705.2905	NA	PeJP	NA	NA
+PJ019353	EWWW 	C38H39N7O7	705.2911	NA	PeJP	NA	NA
+PJ019354	GSEEER 	C26H43N9O14	705.293	NA	PeJP	NA	NA
+PJ019355	APCEMR 	C27H47N9O9S2	705.2938	NA	PeJP	NA	NA
+PJ019356	GPDMMR 	C27H47N9O9S2	705.2939	NA	PeJP	NA	NA
+PJ019357	GNNQHH 	C27H39N13O10	705.2943	NA	PeJP	NA	NA
+PJ019358	SPMWW 	C35H43N7O7S	705.2945	NA	PeJP	NA	NA
+PJ019359	DKEEW 	C31H43N7O12	705.297	NA	PeJP	NA	NA
+PJ019360	AAPMMW 	C32H47N7O7S2	705.2979	NA	PeJP	NA	NA
+PJ019361	EHHHF 	C32H39N11O8	705.2983	NA	PeJP	NA	NA
+PJ019362	GLQEEM 	C28H47N7O12S	705.3004	NA	PeJP	NA	NA
+PJ019363	PTYYY 	C36H43N5O10	705.301	NA	PeJP	NA	NA
+PJ019364	PPCKMM 	C29H51N7O7S3	705.3012	NA	PeJP	NA	NA
+PJ019365	CNQRW 	C29H43N11O8S	705.3017	NA	PeJP	NA	NA
+3076	hirudin (55-65)	DFEEIPEEYLQ	705.30195	MH2+	Inhouse_peptide	NA	peptide
+MJ091307	Maytansine; N-De-Ac, N-propanoyl 	C35H48ClN3O10	705.302822	NA	MeJP	NA	NA
+MJ091308	Maytansine; N2'-De-Ac, N2'-de-Me, N2'-(2-methylpropanoyl) 	C35H48ClN3O10	705.302822	NA	MeJP	NA	NA
+PJ019366	SSNNER 	C25H43N11O13	705.3042	NA	PeJP	NA	NA
+PJ019367	SEERW 	C30H43N9O11	705.3082	NA	PeJP	NA	NA
+PJ019368	GGGGGGPTF 	C30H43N9O11	705.3083	NA	PeJP	NA	NA
+PJ019369	AAEEMR 	C27H47N9O11S	705.3116	NA	PeJP	NA	NA
+PJ019370	SVEWW 	C35H43N7O9	705.3122	NA	PeJP	NA	NA
+PJ019371	GSPPYW 	C35H43N7O9	705.3123	NA	PeJP	NA	NA
+PJ019372	GPCHHR 	C28H43N13O7S	705.313	NA	PeJP	NA	NA
+PJ019373	LQEMW 	C32H47N7O9S	705.3156	NA	PeJP	NA	NA
+PJ019374	ATKEEE 	C28H47N7O14	705.3181	NA	PeJP	NA	NA
+PJ019375	APKEMM 	C29H51N7O9S2	705.319	NA	PeJP	NA	NA
+PJ019376	GSSNRW 	C29H43N11O10	705.3195	NA	PeJP	NA	NA
+PJ019377	VMFFY 	C37H47N5O7S	705.3196	NA	PeJP	NA	NA
+PJ019378	DEMRR 	C26H47N11O10S	705.3228	NA	PeJP	NA	NA
+PJ019379	GGGGATMR 	C26H47N11O10S	705.3229	NA	PeJP	NA	NA
+PJ019380	QQHFF 	C34H43N9O8	705.3235	NA	PeJP	NA	NA
+PJ019381	NQKMW 	C31H47N9O8S	705.3268	NA	PeJP	NA	NA
+PJ019382	VDMRW 	C31H47N9O8S	705.3269	NA	PeJP	NA	NA
+MJ091309	Tryptophyllin L 1.3; 5-Phenylalaninamide analogue 	C39H43N7O6	705.327482	NA	MeJP	NA	NA
+PJ019383	APFWW 	C39H43N7O6	705.3275	NA	PeJP	NA	NA
+PJ019384	SSQQKE 	C27H47N9O13	705.3293	NA	PeJP	NA	NA
+PJ019385	ATTEER 	C27H47N9O13	705.3294	NA	PeJP	NA	NA
+PJ019386	APTMMR 	C28H51N9O8S2	705.3302	NA	PeJP	NA	NA
+PJ019387	QEHHR 	C28H43N13O9	705.3307	NA	PeJP	NA	NA
+PJ019388	ALMWW 	C36H47N7O6S	705.3309	NA	PeJP	NA	NA
+MJ091310	Alanylthreonyltryptophanylleucylaspartylthreonine 	C32H47N7O11	705.333355	NA	MeJP	NA	NA
+PJ019389	GTTLEW 	C32H47N7O11	705.3334	NA	PeJP	NA	NA
+PJ019390	GSCQRR 	C25H47N13O9S	705.3341	NA	PeJP	NA	NA
+PJ019391	VQHHW 	C33H43N11O7	705.3347	NA	PeJP	NA	NA
+PJ019392	PTTKEM 	C29H51N7O11S	705.3367	NA	PeJP	NA	NA
+PJ019393	GLKEEM 	C29H51N7O11S	705.3368	NA	PeJP	NA	NA
+PJ019394	VVYYY 	C37H47N5O9	705.3374	NA	PeJP	NA	NA
+PJ019395	CNKRW 	C30H47N11O7S	705.3381	NA	PeJP	NA	NA
+PJ019396	SSNDKR 	C26H47N11O12	705.3406	NA	PeJP	NA	NA
+PJ019397	GSTQKW 	C31H47N9O10	705.3446	NA	PeJP	NA	NA
+PJ019398	AHHRW 	C32H43N13O6	705.346	NA	PeJP	NA	NA
+PJ019399	GTLEMR 	C28H51N9O10S	705.348	NA	PeJP	NA	NA
+PJ019400	TTLWW 	C36H47N7O8	705.3486	NA	PeJP	NA	NA
+PJ019401	SSSNRR 	C25H47N13O11	705.3518	NA	PeJP	NA	NA
+PJ019402	LKEMW 	C33H51N7O8S	705.352	NA	PeJP	NA	NA
+PJ019403	VFFFF 	C41H47N5O6	705.3527	NA	PeJP	NA	NA
+PJ019404	STLKEE 	C29H51N7O13	705.3545	NA	PeJP	NA	NA
+PJ019405	SPLKMM 	C30H55N7O8S2	705.3554	NA	PeJP	NA	NA
+PJ019406	PDRRY 	C30H47N11O9	705.3558	NA	PeJP	NA	NA
+PJ019407	GAQQFR 	C30H47N11O9	705.3559	NA	PeJP	NA	NA
+3426	human beta-casein fr,56-61	QSLVYP	705.357	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ019408	GSQKMR 	C27H51N11O9S	705.3592	NA	PeJP	NA	NA
+MJ091311	Zankiren 	C35H55N5O6S2	705.359375	NA	MeJP	NA	NA
+PJ019409	PTFRW 	C35H47N9O7	705.3599	NA	PeJP	NA	NA
+PJ019410	TLMRW 	C32H51N9O7S	705.3632	NA	PeJP	NA	NA
+PJ019411	GGKKMW 	C32H51N9O7S	705.3633	NA	PeJP	NA	NA
+PJ019412	STTLER 	C28H51N9O12	705.3657	NA	PeJP	NA	NA
+PJ019413	GGGSSTLK 	C28H51N9O12	705.3658	NA	PeJP	NA	NA
+PJ019414	GVLMMR 	C29H55N9O7S2	705.3666	NA	PeJP	NA	NA
+PJ019415	NNFRR 	C29H47N13O8	705.3671	NA	PeJP	NA	NA
+PJ019416	SSTLLW 	C33H51N7O10	705.3698	NA	PeJP	NA	NA
+PJ019417	GSCKRR 	C26H51N13O8S	705.3705	NA	PeJP	NA	NA
+PJ019418	VKHHW 	C34H47N11O6	705.3711	NA	PeJP	NA	NA
+PJ019419	SVLKEM 	C30H55N7O10S	705.3731	NA	PeJP	NA	NA
+PJ019420	PMFRR 	C31H51N11O6S	705.3745	NA	PeJP	NA	NA
+PJ019421	SSTQKR 	C27H51N11O11	705.377	NA	PeJP	NA	NA
+PJ019422	LMMRR 	C28H55N11O6S2	705.3779	NA	PeJP	NA	NA
+PJ019423	THHRR 	C28H47N15O7	705.3783	NA	PeJP	NA	NA
+PJ019424	GSTKKW 	C32H51N9O9	705.381	NA	PeJP	NA	NA
+PJ019425	SSLLMR 	C29H55N9O9S	705.3844	NA	PeJP	NA	NA
+MJ091312	Enamidonin 	C37H51N7O7	705.384997	NA	MeJP	NA	NA
+PJ019426	PLKYW 	C37H51N7O7	705.385	NA	PeJP	NA	NA
+PJ019427	APLKMF 	C34H55N7O7S	705.3884	NA	PeJP	NA	NA
+PJ019428	SSSSLLL 	C30H55N7O12	705.3909	NA	PeJP	NA	NA
+PJ019429	ALLKMM 	C31H59N7O7S2	705.3918	NA	PeJP	NA	NA
+PJ019430	VEFRR 	C31H51N11O8	705.3922	NA	PeJP	NA	NA
+MJ091313	Fumonisin A1; 10-Deoxy, N2-de-Ac 	C34H59NO14	705.393555	NA	MeJP	NA	NA
+MJ091314	Fumonisin A1; 5-Deoxy, N2-de-Ac 	C34H59NO14	705.393555	NA	MeJP	NA	NA
+PJ019431	GSKKMR 	C28H55N11O8S	705.3956	NA	PeJP	NA	NA
+PJ019432	VVFRW 	C36H51N9O6	705.3963	NA	PeJP	NA	NA
+PJ019433	SSKKKE 	C29H55N9O11	705.4021	NA	PeJP	NA	NA
+PJ019434	SPVLKY 	C34H55N7O9	705.4061	NA	PeJP	NA	NA
+PJ019435	PVVTKY 	C34H55N7O9	705.4062	NA	PeJP	NA	NA
+PJ019436	TTLLKM 	C31H59N7O9S	705.4095	NA	PeJP	NA	NA
+PJ019437	SSTKKR 	C28H55N11O10	705.4134	NA	PeJP	NA	NA
+PJ019438	AALLRY 	C33H55N9O8	705.4174	NA	PeJP	NA	NA
+PJ019439	ATKKKM 	C30H59N9O8S	705.4208	NA	PeJP	NA	NA
+PJ019440	LLKFW 	C38H55N7O6	705.4214	NA	PeJP	NA	NA
+PJ019441	VLRRY 	C32H55N11O7	705.4286	NA	PeJP	NA	NA
+MJ091315	15-Norerythromycin A; 3''-O-De-Me 	C35H63NO13	705.429941	NA	MeJP	NA	NA
+MJ091316	2-Norerythromycin; O3''-De-Me 	C35H63NO13	705.429941	NA	MeJP	NA	NA
+MJ091317	Ahpatinin A 	C36H59N5O9	705.431278	NA	MeJP	NA	NA
+PJ019442	TTTKKK 	C30H59N9O10	705.4385	NA	PeJP	NA	NA
+PJ019443	GLLLKY 	C35H59N7O8	705.4425	NA	PeJP	NA	NA
+MJ091318	Monamycins; Monamycin E 	C35H59N7O8	705.442511	NA	MeJP	NA	NA
+MJ091319	Monamycins; Monamycin F 	C35H59N7O8	705.442511	NA	MeJP	NA	NA
+PJ019444	GPPPLLL 	C35H59N7O8	705.4426	NA	PeJP	NA	NA
+MJ091320	Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H63NO10	705.445197	NA	MeJP	NA	NA
+PJ019445	GVKKKF 	C34H59N9O7	705.4538	NA	PeJP	NA	NA
+HMDB12333	PS(14:0/16:1(9Z))	C36H68NO10P	705.458069	NA	HMDB2010	NA	NA
+HMDB12343	PS(14:1(9Z)/16:0)	C36H68NO10P	705.458069	NA	HMDB2010	NA	NA
+HMDB12353	PS(16:0/14:1(9Z))	C36H68NO10P	705.458069	NA	HMDB2010	NA	NA
+HMDB12363	PS(16:1(9Z)/14:0)	C36H68NO10P	705.458069	NA	HMDB2010	NA	NA
+PJ019446	KKKFR 	C33H59N11O6	705.465	NA	PeJP	NA	NA
+MJ091321	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 32-Ketone, 35-O-(2-amino-2-deoxy-?-D-glucopyranoside) 	C41H71NO8	705.517968	NA	MeJP	NA	NA
+MetaCyc04068	1,2-dipalmitoylphosphatidylcholine [1,2-dipalmitoylphosphotidylcholine;]	C38H76N1O8P1	705.530855	2644-64-6	metacyc	NA	NA
+HMDB07869	PC(14:0/16:0)	C38H76NO8P	705.530884	NA	HMDB2010	NA	NA
+HMDB07934	PC(15:0/15:0)	C38H76NO8P	705.530884	NA	HMDB2010	NA	NA
+HMDB07965	PC(16:0/14:0)	C38H76NO8P	705.530884	NA	HMDB2010	NA	NA
+HMDB08892	PE(15:0/18:0)	C38H76NO8P	705.530884	NA	HMDB2010	NA	NA
+HMDB08988	PE(18:0/15:0)	C38H76NO8P	705.530884	NA	HMDB2010	NA	NA
+HMDB10567	PE-NMe(16:0/16:0)	C38H76NO8P	705.530884	NA	HMDB2010	NA	NA
+MJ091322	Pamamycin; Pamamycin 705 	C42H75NO7	705.554353	NA	MeJP	NA	NA
+EUR1039	SM(d18:0/16:0) monoisotopic mass 	C39H82N2O6P	705.591051	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1039	SM(d18:0/16:0) monoisotopic mass 	C39H82N2O6P	705.591051	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1039	SM(d18:0/16:0) monoisotopic mass 	C39H82N2O6P	705.591051	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1039	SM(d18:0/16:0) monoisotopic mass 	C39H82N2O6P	705.591051	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10168	SM(d18:0/16:0)	C39H82N2O6P	705.591064	NA	HMDB2010	NA	NA
+MJ091323	Merbromin 	C20H10Br2HgO6	705.855038	NA	MeJP	NA	NA
+7022	synthetic peptide from alpha-gliadin	YQLLQELCQQHL	705.8655	MH2+	Inhouse_peptide	NA	peptide
+3005	kinases inhibitor	KKALARQEAVDAL	705.89995	MH2+	Inhouse_peptide	NA	peptide
+3019	kinases inhibitor	KKALRAQEAVDAL	705.89995	MH2+	Inhouse_peptide	NA	peptide
+PJ019447	CCCCEF 	C26H38N6O9S4	706.1583	NA	PeJP	NA	NA
+PJ019448	CCDDDH 	C24H34N8O13S2	706.1687	NA	PeJP	NA	NA
+FL5FAAGL0078	Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside	C32H34O18	706.17451	-	knapsack	NA	NA
+FL5FAAGL0079	Kaempferol 3-[2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl-(1->6)-glucoside]	C32H34O18	706.17451	151193-58-7	knapsack	NA	NA
+MJ091324	Astragalin; 6''-O-(2,3,4-Tri-O-acetyl-?-L-arabinopyranosyl) 	C32H34O18	706.174514	NA	MeJP	NA	NA
+PJ019449	SCCCEY 	C26H38N6O11S3	706.1761	NA	PeJP	NA	NA
+PJ019450	GCCMMY 	C27H42N6O8S4	706.1947	NA	PeJP	NA	NA
+MJ091325	Formadicins; Formadicin A 	C30H34N4O16	706.196981	NA	MeJP	NA	NA
+PJ019451	CCCNQH 	C24H38N10O9S3	706.1986	NA	PeJP	NA	NA
+MJ091326	Aspartylglycylaspartylglycylaspartylglycylaspartylglycine 	C24H34N8O17	706.204191	NA	MeJP	NA	NA
+PJ019452	NNDDDD 	C24H34N8O17	706.2042	NA	PeJP	NA	NA
+MJ091327	Sanggenon B; 7-O-(2,4-Dihydroxybenzoyl) 	C40H34O12	706.205026	NA	MeJP	NA	NA
+PJ019453	SCDDMH 	C25H38N8O12S2	706.2051	NA	PeJP	NA	NA
+PJ019454	GCCDFY 	C30H38N6O10S2	706.2091	NA	PeJP	NA	NA
+PJ019455	PDDDDM 	C26H38N6O15S	706.2116	NA	PeJP	NA	NA
+PJ019456	STCCMY 	C27H42N6O10S3	706.2125	NA	PeJP	NA	NA
+PJ019457	GSSCCNH 	C24H38N10O11S2	706.2163	NA	PeJP	NA	NA
+PJ019458	GSPCNDD 	C25H38N8O14S	706.2229	NA	PeJP	NA	NA
+PJ019459	GCEMMH 	C26H42N8O9S3	706.2237	NA	PeJP	NA	NA
+MJ091328	2-[2-[[2-(3,5-Dihydroxyphenyl)-1-methylethoxy]carbonyl]-3,5-dihydroxyphenyl]-1-methylethyl 2-[2-[(2,4-dihydroxy-6-methylbenzoyl)oxy]propyl]-4,6-dihydroxybenzoate 	C37H38O14	706.226155	NA	MeJP	NA	NA
+PJ019460	GSCDYY 	C30H38N6O12S	706.2269	NA	PeJP	NA	NA
+PJ019461	GCCMFF 	C31H42N6O7S3	706.2277	NA	PeJP	NA	NA
+PJ019462	GDEEEE 	C26H38N6O17	706.2294	NA	PeJP	NA	NA
+PJ019463	CNNNNE 	C24H38N10O13S	706.2341	NA	PeJP	NA	NA
+PJ019464	CCCNKH 	C25H42N10O8S3	706.2349	NA	PeJP	NA	NA
+PJ019465	GGCCCKH 	C25H42N10O8S3	706.235	NA	PeJP	NA	NA
+PJ019466	GCDEHF 	C29H38N8O11S	706.2381	NA	PeJP	NA	NA
+PJ019467	CMMHW 	C30H42N8O6S3	706.239	NA	PeJP	NA	NA
+PJ019468	SNNDEE 	C25H38N8O16	706.2406	NA	PeJP	NA	NA
+PJ019469	SSDMMH 	C26H42N8O11S2	706.2415	NA	PeJP	NA	NA
+PJ019470	ACCHHH 	C27H38N12O7S2	706.2428	NA	PeJP	NA	NA
+PJ019471	DEEEW 	C30H38N6O14	706.2446	NA	PeJP	NA	NA
+PJ019472	CQMYY 	C31H42N6O9S2	706.2455	NA	PeJP	NA	NA
+MJ091329	Amorphigenin; 1',3'-Dihydro, O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H42O16	706.247285	NA	MeJP	NA	NA
+PJ019473	SPDEEM 	C27H42N6O14S	706.248	NA	PeJP	NA	NA
+PJ019474	PPCEMM 	C28H46N6O9S3	706.2489	NA	PeJP	NA	NA
+PJ019475	GCNNNW 	C28H38N10O10S	706.2493	NA	PeJP	NA	NA
+PJ019476	GGGGGCNW 	C28H38N10O10S	706.2494	NA	PeJP	NA	NA
+PJ019477	GSSNNND 	C24H38N10O15	706.2518	NA	PeJP	NA	NA
+PJ019478	GGGGGSSND 	C24H38N10O15	706.2519	NA	PeJP	NA	NA
+PJ019479	PCCNDR 	C25H42N10O10S2	706.2527	NA	PeJP	NA	NA
+PJ019480	CDHFW 	C33H38N8O8S	706.2534	NA	PeJP	NA	NA
+PJ019481	GSNDEW 	C29H38N8O13	706.2559	NA	PeJP	NA	NA
+PJ019482	GPCNMW 	C30H42N8O8S2	706.2567	NA	PeJP	NA	NA
+PJ019483	GNQEEM 	C26H42N8O13S	706.2592	NA	PeJP	NA	NA
+PJ019484	GGGGAEEM 	C26H42N8O13S	706.2593	NA	PeJP	NA	NA
+PJ019485	GTMMMH 	C27H46N8O8S3	706.2601	NA	PeJP	NA	NA
+PJ019486	SSCHHH 	C27H38N12O9S	706.2606	NA	PeJP	NA	NA
+PJ019487	GSSMYY 	C31H42N6O11S	706.2632	NA	PeJP	NA	NA
+PJ019488	PPCDEF 	C31H42N6O11S	706.2633	NA	PeJP	NA	NA
+PJ019489	ATEEEE 	C27H42N6O16	706.2658	NA	PeJP	NA	NA
+PJ019490	APEEMM 	C28H46N6O11S2	706.2666	NA	PeJP	NA	NA
+PJ019491	SPDDHH 	C28H38N10O12	706.2671	NA	PeJP	NA	NA
+MJ091330	Radiatoside E 	C31H46O18	706.268414	NA	MeJP	NA	NA
+PJ019492	GNDDMR 	C25H42N10O12S	706.2705	NA	PeJP	NA	NA
+PJ019493	SNDWW 	C33H38N8O10	706.2711	NA	PeJP	NA	NA
+PJ019494	NQEMW 	C30H42N8O10S	706.2745	NA	PeJP	NA	NA
+PJ019495	SSQQEE 	C26H42N8O15	706.277	NA	PeJP	NA	NA
+PJ019496	STTMMH 	C27H46N8O10S2	706.2778	NA	PeJP	NA	NA
+PJ019497	SPNQMM 	C27H46N8O10S2	706.2779	NA	PeJP	NA	NA
+PJ019498	GNNEHH 	C27H38N12O11	706.2783	NA	PeJP	NA	NA
+PJ019499	GGGGGEHH 	C27H38N12O11	706.2784	NA	PeJP	NA	NA
+PJ019500	CQFFY 	C35H42N6O8S	706.2785	NA	PeJP	NA	NA
+PJ019501	SSSTYY 	C31H42N6O13	706.281	NA	PeJP	NA	NA
+PJ019502	SCNNNR 	C24H42N12O11S	706.2817	NA	PeJP	NA	NA
+PJ019503	CKMYY 	C32H46N6O8S2	706.2819	NA	PeJP	NA	NA
+PJ019504	GLEEEM 	C28H46N6O13S	706.2844	NA	PeJP	NA	NA
+PJ019505	PPTMMM 	C29H50N6O8S3	706.2853	NA	PeJP	NA	NA
+PJ019506	CNERW 	C29H42N10O9S	706.2857	NA	PeJP	NA	NA
+PJ019507	SSNDER 	C25H42N10O14	706.2882	NA	PeJP	NA	NA
+MJ091331	Milliamine C; De(dimethylamino) 	C41H42N2O9	706.28903	NA	MeJP	NA	NA
+PJ019508	SPCNMR 	C26H46N10O9S2	706.2891	NA	PeJP	NA	NA
+PJ019509	GQMWW 	C34H42N8O7S	706.2897	NA	PeJP	NA	NA
+PJ019510	GGAMWW 	C34H42N8O7S	706.2898	NA	PeJP	NA	NA
+PJ019511	GSTQEW 	C30H42N8O12	706.2922	NA	PeJP	NA	NA
+PJ019512	GGGTTEW 	C30H42N8O12	706.2923	NA	PeJP	NA	NA
+PJ019513	APCCKW 	C31H46N8O7S2	706.2931	NA	PeJP	NA	NA
+PJ019514	NNHHW 	C31H38N12O8	706.2936	NA	PeJP	NA	NA
+PJ019515	GNKEEM 	C27H46N8O12S	706.2956	NA	PeJP	NA	NA
+PJ019516	AQYYY 	C35H42N6O10	706.2962	NA	PeJP	NA	NA
+PJ019517	PEEFW 	C35H42N6O10	706.2963	NA	PeJP	NA	NA
+PJ019518	LEEMW 	C32H46N6O10S	706.2996	NA	PeJP	NA	NA
+PJ019519	GCRWW 	C33H42N10O6S	706.301	NA	PeJP	NA	NA
+PJ019520	STLEEE 	C28H46N6O15	706.3021	NA	PeJP	NA	NA
+PJ019521	SPLEMM 	C29H50N6O10S2	706.303	NA	PeJP	NA	NA
+PJ019522	GSSDRW 	C29H42N10O11	706.3035	NA	PeJP	NA	NA
+PJ019523	ASNEMR 	C26H46N10O11S	706.3068	NA	PeJP	NA	NA
+PJ019524	GSQEMR 	C26H46N10O11S	706.3069	NA	PeJP	NA	NA
+PJ019525	STQWW 	C34H42N8O9	706.3075	NA	PeJP	NA	NA
+PJ019526	NKEMW 	C31H46N8O9S	706.3109	NA	PeJP	NA	NA
+PJ019527	SSQKEE 	C27H46N8O14	706.3134	NA	PeJP	NA	NA
+PJ019528	SPNKMM 	C28H50N8O9S2	706.3142	NA	PeJP	NA	NA
+PJ019529	GGALQMM 	C28H50N8O9S2	706.3143	NA	PeJP	NA	NA
+PJ019530	EEHHR 	C28H42N12O10	706.3147	NA	PeJP	NA	NA
+PJ019531	CKFFY 	C36H46N6O7S	706.3149	NA	PeJP	NA	NA
+PJ019532	GPLEEY 	C32H46N6O12	706.3174	NA	PeJP	NA	NA
+MJ091332	Bastaxanthol; 16'-Carboxylic acid, 3-O-sulfate 	C40H50O9S	706.317553	NA	MeJP	NA	NA
+PJ019533	GSCERR 	C25H46N12O10S	706.3181	NA	PeJP	NA	NA
+PJ019534	PPCLMF 	C33H50N6O7S2	706.3183	NA	PeJP	NA	NA
+PJ019535	VEHHW 	C33H42N10O8	706.3187	NA	PeJP	NA	NA
+MJ091333	Euphorrepinol; 7-(3-Methyl-3-butenoyl), 5-(2-hydroxypropanoyl), tetra-Ac 	C36H50O14	706.320056	NA	MeJP	NA	NA
+MJ091334	Physagulin E 	C36H50O14	706.320056	NA	MeJP	NA	NA
+MJ091335	Zaragozic acid D2 	C36H50O14	706.320056	NA	MeJP	NA	NA
+PJ019536	SVLEEM 	C29H50N6O12S	706.3208	NA	PeJP	NA	NA
+PJ019537	PVVMMM 	C30H54N6O7S3	706.3216	NA	PeJP	NA	NA
+PJ019538	SQMRW 	C30H46N10O8S	706.3221	NA	PeJP	NA	NA
+PJ019539	AHFFW 	C38H42N8O6	706.3228	NA	PeJP	NA	NA
+PJ019540	SSTQER 	C26H46N10O13	706.3246	NA	PeJP	NA	NA
+PJ019541	AAQMMR 	C27H50N10O8S2	706.3255	NA	PeJP	NA	NA
+PJ019542	GSNHHR 	C27H42N14O9	706.326	NA	PeJP	NA	NA
+PJ019543	GKMWW 	C35H46N8O6S	706.3261	NA	PeJP	NA	NA
+7007	synthetic peptide from alpha-gliadin	YPQPQPFPSQQP	706.3275	MH2+	Inhouse_peptide	NA	peptide
+7467	coeliac toxic peptide	PQPQPFPSQQPY	706.3275	MH2+	Inhouse_peptide	NA	peptide
+PJ019544	GSTKEW 	C31H46N8O11	706.3286	NA	PeJP	NA	NA
+PJ019545	GGGGALEF 	C31H46N8O11	706.3287	NA	PeJP	NA	NA
+PJ019546	GDKKEM 	C28H50N8O11S	706.332	NA	PeJP	NA	NA
+PJ019547	PLEYW 	C36H46N6O9	706.3326	NA	PeJP	NA	NA
+PJ019548	APPEFF 	C36H46N6O9	706.3327	NA	PeJP	NA	NA
+PJ019549	SCRRW 	C29H46N12O7S	706.3333	NA	PeJP	NA	NA
+MJ091336	Practomycin C 	C24H50N8O16	706.334477	NA	MeJP	NA	NA
+PJ019550	SSSDRR 	C25H46N12O12	706.3358	NA	PeJP	NA	NA
+PJ019551	SPPLMY 	C33H50N6O9S	706.336	NA	PeJP	NA	NA
+MJ091337	Rausutranine 	C41H46N4O7	706.336649	NA	MeJP	NA	NA
+PJ019552	NMMRR 	C26H50N12O7S2	706.3367	NA	PeJP	NA	NA
+PJ019553	ALLEMM 	C30H54N6O9S2	706.3394	NA	PeJP	NA	NA
+PJ019554	GSTTRW 	C30H46N10O10	706.3399	NA	PeJP	NA	NA
+PJ019555	GSKEMR 	C27H50N10O10S	706.3432	NA	PeJP	NA	NA
+PJ019556	GGGGTCKK 	C27H50N10O10S	706.3433	NA	PeJP	NA	NA
+PJ019557	STKWW 	C35H46N8O8	706.3439	NA	PeJP	NA	NA
+PJ019558	DKKMW 	C32H50N8O8S	706.3473	NA	PeJP	NA	NA
+PJ019559	SSSPTTK 	C28H50N8O13	706.3497	NA	PeJP	NA	NA
+PJ019560	SSKKEE 	C28H50N8O13	706.3498	NA	PeJP	NA	NA
+PJ019561	GLQKMM 	C29H54N8O8S2	706.3506	NA	PeJP	NA	NA
+PJ019562	NDFRR 	C29H46N12O9	706.3511	NA	PeJP	NA	NA
+PJ019563	SPVLEY 	C33H50N6O11	706.3538	NA	PeJP	NA	NA
+PJ019564	GSTMRR 	C26H50N12O9S	706.3545	NA	PeJP	NA	NA
+PJ019565	AQFRW 	C34H46N10O7	706.3551	NA	PeJP	NA	NA
+MJ091338	3,12-Dihydroxy-20,22-bufadienolide, 3-O-[?-D-Xylopranosyl-(1?4)-?-L-rhamnopyranoside], 12-Ac 	C37H54O13	706.356441	NA	MeJP	NA	NA
+MJ091339	Cayaponoside D3b; 22-Ketone, 25-Ac 	C37H54O13	706.356441	NA	MeJP	NA	NA
+MJ091340	Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac, 2-O-?-D-glucopyranoside 	C37H54O13	706.356441	NA	MeJP	NA	NA
+MJ091341	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[3-O-Angeloyl-?-D-fucopyranosyl-(1?3)-[3-methylbutanoyl-(?2)]-4-O-angeloyl-?-D-fucopyranoside] 	C37H54O13	706.356441	NA	MeJP	NA	NA
+MJ091342	p-Mentha-1,3,5-triene-2,3-diol; 3-O-[4-O-Angeloyl-?-D-fucopyranosyl-(1?3)-[3-methylbutanoyl-(?2)]-4-O-angeloyl-?-D-fucopyranoside] 	C37H54O13	706.356441	NA	MeJP	NA	NA
+PJ019566	TTLLEM 	C30H54N6O11S	706.3572	NA	PeJP	NA	NA
+PJ019567	SKMRW 	C31H50N10O7S	706.3585	NA	PeJP	NA	NA
+MJ091343	Ergost-22-ene-3,6,8,15,16,28-hexol, 3-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate 	C34H58O13S	706.359812	NA	MeJP	NA	NA
+MJ091344	Stigmast-22-ene-3,6,8,15,16,29-hexol, 29-O-?-D-Xylopyranoside, 15-sulfate 	C34H58O13S	706.359812	NA	MeJP	NA	NA
+MJ091345	Stigmast-24(28)-ene-3,6,8,15,16,29-hexol, 29-O-(4-O-Sulfo-?-D-xylopyranoside) 	C34H58O13S	706.359812	NA	MeJP	NA	NA
+PJ019568	SSTKER 	C27H50N10O12	706.361	NA	PeJP	NA	NA
+PJ019569	AAKMMR 	C28H54N10O7S2	706.3619	NA	PeJP	NA	NA
+PJ019570	SSSLKW 	C32H50N8O10	706.365	NA	PeJP	NA	NA
+PJ019571	ATKKEM 	C29H54N8O10S	706.3684	NA	PeJP	NA	NA
+PJ019572	LLEFW 	C37H50N6O8	706.369	NA	PeJP	NA	NA
+PJ019573	SSTTRR 	C26H50N12O11	706.3722	NA	PeJP	NA	NA
+PJ019574	APLLMY 	C34H54N6O8S	706.3724	NA	PeJP	NA	NA
+MJ091346	12,12'-Bis(11-hydroxycoronaridine) 	C42H50N4O6	706.373035	NA	MeJP	NA	NA
+MJ091347	Tetrastachyne 	C42H50N4O6	706.373035	NA	MeJP	NA	NA
+MJ091348	Tetrastachynine 	C42H50N4O6	706.373035	NA	MeJP	NA	NA
+MJ091349	Villalstonine; 10-Methoxy, 4'-N-oxide 	C42H50N4O6	706.373035	NA	MeJP	NA	NA
+PJ019575	SLLLMM 	C31H58N6O8S2	706.3758	NA	PeJP	NA	NA
+PJ019576	LQQRY 	C31H50N10O9	706.3762	NA	PeJP	NA	NA
+PJ019577	GSPKRY 	C31H50N10O9	706.3763	NA	PeJP	NA	NA
+PJ019578	ATTKMR 	C28H54N10O9S	706.3796	NA	PeJP	NA	NA
+PJ019579	VQKFW 	C36H50N8O7	706.3803	NA	PeJP	NA	NA
+PJ019580	GPKKMF 	C33H54N8O7S	706.3837	NA	PeJP	NA	NA
+PJ019581	TTTKKE 	C29H54N8O12	706.3861	NA	PeJP	NA	NA
+PJ019582	GLKKMM 	C30H58N8O7S2	706.387	NA	PeJP	NA	NA
+PJ019583	VNRRY 	C30H50N12O8	706.3875	NA	PeJP	NA	NA
+PJ019584	GLLLEY 	C34H54N6O10	706.3902	NA	PeJP	NA	NA
+PJ019585	AKFRW 	C35H50N10O6	706.3915	NA	PeJP	NA	NA
+MJ091350	16,23:22,25-Diepoxycycloart-7-ene-3,23,24-triol, 7,8?-Dihydro, 3-O-(2-O-malonyl-?-D-xylopyranoside) 	C38H58O12	706.392827	NA	MeJP	NA	NA
+MJ091351	Antibiotic PD 118576A1; 19-Me ether 	C38H58O12	706.392827	NA	MeJP	NA	NA
+MJ091352	Hovenidulcigenin A; 3-O-?-D-Glucopyranoside 	C38H58O12	706.392827	NA	MeJP	NA	NA
+MJ091353	Hyalodendroside A 	C38H58O12	706.392827	NA	MeJP	NA	NA
+MJ091354	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C38H58O12	706.392827	NA	MeJP	NA	NA
+5452	caeridin 5	GLLGMVGSLLGGLGLG	706.3957	MH2+	Inhouse_peptide	NA	peptide
+PJ019586	TTTTKR 	C28H54N10O11	706.3974	NA	PeJP	NA	NA
+PJ019587	GRRRY 	C29H50N14O7	706.3987	NA	PeJP	NA	NA
+PJ019588	APTKKY 	C33H54N8O9	706.4014	NA	PeJP	NA	NA
+PJ019589	STLKKM 	C30H58N8O9S	706.4048	NA	PeJP	NA	NA
+PJ019590	LLLYW 	C38H54N6O7	706.4054	NA	PeJP	NA	NA
+PJ019591	ALLLMF 	C35H58N6O7S	706.4088	NA	PeJP	NA	NA
+MJ091355	Tabernaelegantine A 	C43H54N4O5	706.40942	NA	MeJP	NA	NA
+MJ091356	Tabernaelegantine B 	C43H54N4O5	706.40942	NA	MeJP	NA	NA
+MJ091357	Voacamine; 19?,20-Dihydro 	C43H54N4O5	706.40942	NA	MeJP	NA	NA
+MJ091358	Voacamine; 19?,20-Dihydro 	C43H54N4O5	706.40942	NA	MeJP	NA	NA
+PJ019592	LQKRY 	C32H54N10O8	706.4126	NA	PeJP	NA	NA
+PJ019593	GAPPPLR 	C32H54N10O8	706.4127	NA	PeJP	NA	NA
+PJ019594	VKKFW 	C37H54N8O6	706.4167	NA	PeJP	NA	NA
+PJ019595	TKFRR 	C31H54N12O7	706.4239	NA	PeJP	NA	NA
+PJ019596	SVLLLY 	C35H58N6O9	706.4266	NA	PeJP	NA	NA
+MJ091359	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3-O-Diacetyl-?-D-xylopyranoside) 	C39H62O11	706.429212	NA	MeJP	NA	NA
+PJ019597	GVLKKY 	C34H58N8O8	706.4378	NA	PeJP	NA	NA
+PJ019598	LKKRY 	C33H58N10O7	706.449	NA	PeJP	NA	NA
+MJ091360	Antibiotic YM 170320 	C37H62N4O9	706.451679	NA	MeJP	NA	NA
+MJ091361	Antibiotic A 110; Antibiotic A 110-4 	C40H66O10	706.465598	NA	MeJP	NA	NA
+MJ091362	Concanamycin A; 23-O-Deglycosyl, 21-Me ether 	C40H66O10	706.465598	NA	MeJP	NA	NA
+MJ091363	Venturicidin B 	C40H66O10	706.465598	NA	MeJP	NA	NA
+PJ019599	VLLLLH 	C35H62N8O7	706.4742	NA	PeJP	NA	NA
+MJ091364	Mutadione C 	C44H66O7	706.480854	NA	MeJP	NA	NA
+MJ091365	Bistramide A; 2,3-Dihydro 	C40H70N2O8	706.513217	NA	MeJP	NA	NA
+MJ091366	Bistramide A; 4-Alcohol 	C40H70N2O8	706.513217	NA	MeJP	NA	NA
+MJ091367	Bistramide K 	C40H70N2O8	706.513217	NA	MeJP	NA	NA
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR539	12 :0 SM F6	NA	706.522925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR539	12 :0 SM F6	NA	706.522925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR539	12 :0 SM F6	NA	706.522925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR539	12 :0 SM F6	NA	706.522925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR539	12 :0 SM F6	F6	706.522925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ091368	Antibiotic SF 1195 	C38H74O11	706.523113	NA	MeJP	NA	NA
+EUR1038	d18:1-12:0 SM [M-H+acetate]-	C35H71N2O6P	706.526076	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1038	d18:1-12:0 SM [M-H+acetate]-	C35H71N2O6P	706.526076	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1038	d18:1-12:0 SM [M-H+acetate]-	C35H71N2O6P	706.526076	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1038	d18:1-12:0 SM [M-H+acetate]-	C35H71N2O6P	706.526076	masses lipides attendues	Inhousejuil11	NA	NA
+MJ091369	2-(4-Hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-?,?-caroten-1'-ol; ?5,6-Isomer, 3',4'-dihydro 	C50H74O2	706.568881	NA	MeJP	NA	NA
+MJ091370	Sarcinaxanthin; 7,8-Dihydro 	C50H74O2	706.568881	NA	MeJP	NA	NA
+MJ091371	2-Nonaprenylphenol 	C51H78O	706.605267	NA	MeJP	NA	NA
+HMDB07181	DG(18:0/24:1(15Z)/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07209	DG(18:1(11Z)/24:0/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07238	DG(18:1(9Z)/24:0/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07377	DG(20:0/22:1(13Z)/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07405	DG(20:1(11Z)/22:0/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07601	DG(22:0/20:1(11Z)/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07629	DG(22:1(13Z)/20:0/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07797	DG(24:0/18:1(11Z)/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07798	DG(24:0/18:1(9Z)/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB07825	DG(24:1(15Z)/18:0/0:0)	C45H86O5	706.647522	NA	HMDB2010	NA	NA
+HMDB10372	CE(22:1(13Z))	C49H86O2	706.662781	NA	HMDB2010	NA	NA
+MJ091372	24-Methylcycloart-25-en-3-ol, Octadecanoyl 	C49H86O2	706.662781	NA	MeJP	NA	NA
+PJ019600	ACCCCCC 	C21H37N7O8S6	707.1028	NA	PeJP	NA	NA
+PJ019601	SSCCCCC 	C21H37N7O10S5	707.1206	NA	PeJP	NA	NA
+PJ019602	CCCCNY 	C25H37N7O9S4	707.1536	NA	PeJP	NA	NA
+MJ091373	Celenamide B 	C33H34BrN5O8	707.159075	NA	MeJP	NA	NA
+PJ019603	CCCNEH 	C24H37N9O10S3	707.1826	NA	PeJP	NA	NA
+PJ019604	NDDDDD 	C24H33N7O18	707.1882	NA	PeJP	NA	NA
+PJ019605	GCCCHW 	C28H37N9O7S3	707.1978	NA	PeJP	NA	NA
+PJ019606	GSSCCDH 	C24H37N9O12S2	707.2003	NA	PeJP	NA	NA
+PJ019607	GSPCDDD 	C25H37N7O15S	707.2069	NA	PeJP	NA	NA
+PJ019608	GPPCCCE 	C26H41N7O10S3	707.2077	NA	PeJP	NA	NA
+PJ019609	CNNNDE 	C24H37N9O14S	707.2181	NA	PeJP	NA	NA
+PJ019610	SCCQMH 	C25H41N9O9S3	707.219	NA	PeJP	NA	NA
+PJ019611	PPCCCW 	C30H41N7O7S3	707.223	NA	PeJP	NA	NA
+PJ019612	SNDDEE 	C25H37N7O17	707.2246	NA	PeJP	NA	NA
+PJ019613	PCNDEM 	C26H41N7O12S2	707.2255	NA	PeJP	NA	NA
+PJ019614	CEMYY 	C31H41N5O10S2	707.2295	NA	PeJP	NA	NA
+PJ019615	SCCCHR 	C24H41N11O8S3	707.2302	NA	PeJP	NA	NA
+PJ019616	GCNNDW 	C28H37N9O11S	707.2334	NA	PeJP	NA	NA
+PJ019617	GSSNNDD 	C24H37N9O16	707.2359	NA	PeJP	NA	NA
+PJ019618	PCCDDR 	C25H41N9O11S2	707.2367	NA	PeJP	NA	NA
+PJ019619	GSDDEW 	C29H37N7O14	707.2399	NA	PeJP	NA	NA
+PJ019620	APCCEW 	C30H41N7O9S2	707.2407	NA	PeJP	NA	NA
+PJ019621	GPCDMW 	C30H41N7O9S2	707.2408	NA	PeJP	NA	NA
+PJ019622	ASSPCDE 	C26H41N7O14S	707.2432	NA	PeJP	NA	NA
+PJ019623	GNEEEM 	C26H41N7O14S	707.2433	NA	PeJP	NA	NA
+PJ019624	GPPTCCM 	C27H45N7O9S3	707.2441	NA	PeJP	NA	NA
+C06371	Lacto-N-tetraose	C26H45NO21	707.2484	NA	KEGG	NA	NA
+MJ091374	?-D-Galactopyranosyl-(1?3)-2-acetamido-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose 	C26H45NO21	707.248407	NA	MeJP	NA	NA
+MJ091375	?-D-Galactopyranosyl-(1?4)-[2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)]-?-D-galactopyranosyl-(1?4)-D-glucose; N-Ac 	C26H45NO21	707.248407	NA	MeJP	NA	NA
+HMDB06537	(alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine	C26H45NO21	707.24841	http://www.hmdb.ca/metabolites/HMDB06537	HMDB	NA	NA
+HMDB06566	Lacto-N-tetraose	C26H45NO21	707.24841	http://www.hmdb.ca/metabolites/HMDB06566	HMDB	NA	NA
+HMDB06567	Neolactotetraose	C26H45NO21	707.24841	http://www.hmdb.ca/metabolites/HMDB06567	HMDB	NA	NA
+HMDB06699	a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp	C26H45NO21	707.24841	http://www.hmdb.ca/metabolites/HMDB06699	HMDB	NA	NA
+HMDB06537	(alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine	C26H45NO21	707.24841	HMDB06537	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06566	Lacto-N-tetraose	C26H45NO21	707.24841	HMDB06566	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06567	Neolactotetraose	C26H45NO21	707.24841	HMDB06567	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06699	a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp	C26H45NO21	707.24841	HMDB06699	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06537	(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine	C26H45NO21	707.248413	NA	HMDB2010	NA	NA
+HMDB06566	Lacto-N-tetraose	C26H45NO21	707.248413	NA	HMDB2010	NA	NA
+HMDB06567	Neolactotetraose	C26H45NO21	707.248413	NA	HMDB2010	NA	NA
+HMDB06699	Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp	C26H45NO21	707.248413	NA	HMDB2010	NA	NA
+PJ019625	GCNMHF 	C29H41N9O8S2	707.252	NA	PeJP	NA	NA
+PJ019626	GDDDMR 	C25H41N9O13S	707.2545	NA	PeJP	NA	NA
+PJ019627	SDDWW 	C33H37N7O11	707.2551	NA	PeJP	NA	NA
+PJ019628	SCCKMH 	C26H45N9O8S3	707.2554	NA	PeJP	NA	NA
+PJ019629	NEEMW 	C30H41N7O11S	707.2585	NA	PeJP	NA	NA
+PJ019630	SSQEEE 	C26H41N7O16	707.261	NA	PeJP	NA	NA
+PJ019631	SPNEMM 	C27H45N7O11S2	707.2619	NA	PeJP	NA	NA
+PJ019632	GNDEHH 	C27H37N11O12	707.2624	NA	PeJP	NA	NA
+PJ019633	PCYYY 	C35H41N5O9S	707.2625	NA	PeJP	NA	NA
+PJ019634	SCNNDR 	C24H41N11O12S	707.2657	NA	PeJP	NA	NA
+PJ019635	TMMYY 	C32H45N5O9S2	707.2659	NA	PeJP	NA	NA
+PJ019636	CDERW 	C29H41N9O10S	707.2697	NA	PeJP	NA	NA
+PJ019637	GGGGGSMW 	C29H41N9O10S	707.2698	NA	PeJP	NA	NA
+PJ019638	SSDDER 	C25H41N9O15	707.2722	NA	PeJP	NA	NA
+PJ019639	GGGGGSTTD 	C25H41N9O15	707.2723	NA	PeJP	NA	NA
+PJ019640	SPCDMR 	C26H45N9O10S2	707.2731	NA	PeJP	NA	NA
+PJ019641	GEMWW 	C34H41N7O8S	707.2738	NA	PeJP	NA	NA
+PJ019642	GSTEEW 	C30H41N7O13	707.2763	NA	PeJP	NA	NA
+PJ019643	GSPMMW 	C31H45N7O8S2	707.2771	NA	PeJP	NA	NA
+PJ019644	NDHHW 	C31H37N11O9	707.2776	NA	PeJP	NA	NA
+PJ019645	GDKEEM 	C27H45N7O13S	707.2796	NA	PeJP	NA	NA
+PJ019646	AEYYY 	C35H41N5O11	707.2803	NA	PeJP	NA	NA
+PJ019647	APQMMM 	C28H49N7O8S3	707.2805	NA	PeJP	NA	NA
+PJ019648	SPCQHH 	C28H41N11O9S	707.281	NA	PeJP	NA	NA
+PJ019649	GCNQMR 	C25H45N11O9S2	707.2843	NA	PeJP	NA	NA
+PJ019650	GGGCQMR 	C25H45N11O9S2	707.2844	NA	PeJP	NA	NA
+PJ019651	SSSNQW 	C29H41N9O12	707.2875	NA	PeJP	NA	NA
+PJ019652	ACCKHF 	C30H45N9O7S2	707.2884	NA	PeJP	NA	NA
+PJ019653	MWWW 	C38H41N7O5S	707.289	NA	PeJP	NA	NA
+PJ019654	GSEEMR 	C26H45N9O12S	707.2909	NA	PeJP	NA	NA
+PJ019655	STEWW 	C34H41N7O10	707.2915	NA	PeJP	NA	NA
+PJ019656	APCMMR 	C27H49N9O7S3	707.2917	NA	PeJP	NA	NA
+MJ091376	Lissoclinamide 9 	C35H45N7O5S2	707.292358	NA	MeJP	NA	NA
+PJ019657	DKEMW 	C31H45N7O10S	707.2949	NA	PeJP	NA	NA
+PJ019658	GCCNRR 	C24H45N13O8S2	707.2956	NA	PeJP	NA	NA
+PJ019659	MHHHF 	C32H41N11O6S	707.2962	NA	PeJP	NA	NA
+PJ019660	SSKEEE 	C27H45N7O15	707.2974	NA	PeJP	NA	NA
+PJ019661	GLQEMM 	C28H49N7O10S2	707.2983	NA	PeJP	NA	NA
+PJ019662	GTQEHH 	C28H41N11O11	707.2987	NA	PeJP	NA	NA
+C13168	Dihydroergocristine mesylate	C35H41N5O5	707.2989	NA	KEGG	NA	NA
+C13169	Transferred to D01706	C35H41N5O5	707.2989	NA	KEGG	NA	NA
+C13170	Transferred to D01707	C35H41N5O5	707.2989	NA	KEGG	NA	NA
+C13171	Transferred to D01708	C35H41N5O5	707.2989	NA	KEGG	NA	NA
+C13172	Transferred to D01709	C35H41N5O5	707.2989	NA	KEGG	NA	NA
+PJ019663	CLFYY 	C36H45N5O8S	707.2989	NA	PeJP	NA	NA
+PJ019664	SSNNMR 	C25H45N11O11S	707.3021	NA	PeJP	NA	NA
+PJ019665	NNQFW 	C33H41N9O9	707.3027	NA	PeJP	NA	NA
+PJ019666	GGNQFW 	C33H41N9O9	707.3028	NA	PeJP	NA	NA
+PJ019667	SEMRW 	C30H45N9O9S	707.3061	NA	PeJP	NA	NA
+PJ019668	GPYWW 	C38H41N7O7	707.3068	NA	PeJP	NA	NA
+PJ019669	SSTEER 	C26H45N9O14	707.3086	NA	PeJP	NA	NA
+PJ019670	AAEMMR 	C27H49N9O9S2	707.3095	NA	PeJP	NA	NA
+PJ019671	GSDHHR 	C27H41N13O10	707.31	NA	PeJP	NA	NA
+PJ019672	SVMWW 	C35H45N7O7S	707.3101	NA	PeJP	NA	NA
+PJ019673	GAPMFW 	C35H45N7O7S	707.3102	NA	PeJP	NA	NA
+PJ019674	SSSLEW 	C31H45N7O12	707.3126	NA	PeJP	NA	NA
+PJ019675	GPDKEY 	C31H45N7O12	707.3127	NA	PeJP	NA	NA
+PJ019676	LQMMW 	C32H49N7O7S2	707.3135	NA	PeJP	NA	NA
+PJ019677	TQHHW 	C32H41N11O8	707.314	NA	PeJP	NA	NA
+PJ019678	ATKEEM 	C28H49N7O12S	707.316	NA	PeJP	NA	NA
+PJ019679	SLYYY 	C36H45N5O10	707.3166	NA	PeJP	NA	NA
+PJ019680	VTYYY 	C36H45N5O10	707.3167	NA	PeJP	NA	NA
+PJ019681	APKMMM 	C29H53N7O7S3	707.3169	NA	PeJP	NA	NA
+PJ019682	GVQMHH 	C29H45N11O8S	707.3174	NA	PeJP	NA	NA
+PJ019683	GSSSSQR 	C25H45N11O13	707.3199	NA	PeJP	NA	NA
+PJ019684	DMMRR 	C26H49N11O8S2	707.3207	NA	PeJP	NA	NA
+PJ019685	PCFRW 	C34H45N9O6S	707.3214	NA	PeJP	NA	NA
+PJ019686	SSSNKW 	C30H45N9O11	707.3239	NA	PeJP	NA	NA
+MJ091377	Thiazinotrienomycin A 	C38H49N3O8S	707.324036	NA	MeJP	NA	NA
+MJ091378	Thiazinotrienomycin D 	C38H49N3O8S	707.324036	NA	MeJP	NA	NA
+PJ019687	CLMRW 	C31H49N9O6S2	707.3247	NA	PeJP	NA	NA
+PJ019688	ATTEMR 	C27H49N9O11S	707.3272	NA	PeJP	NA	NA
+PJ019689	VTTCER 	C27H49N9O11S	707.3273	NA	PeJP	NA	NA
+PJ019690	PDKYW 	C35H45N7O9	707.3279	NA	PeJP	NA	NA
+PJ019691	QMHHR 	C28H45N13O7S	707.3286	NA	PeJP	NA	NA
+PJ019692	GTTLMW 	C32H49N7O9S	707.3313	NA	PeJP	NA	NA
+PJ019693	TFFFF 	C40H45N5O7	707.3319	NA	PeJP	NA	NA
+PJ019694	TTTKEE 	C28H49N7O14	707.3338	NA	PeJP	NA	NA
+PJ019695	PTTKMM 	C29H53N7O9S2	707.3346	NA	PeJP	NA	NA
+PJ019696	GLKEMM 	C29H53N7O9S2	707.3347	NA	PeJP	NA	NA
+PJ019697	NQQRY 	C29H45N11O10	707.3351	NA	PeJP	NA	NA
+PJ019698	SSCQKR 	C26H49N11O10S	707.3385	NA	PeJP	NA	NA
+PJ019699	SPRYW 	C34H45N9O8	707.3391	NA	PeJP	NA	NA
+PJ019700	GGGGKFW 	C34H45N9O8	707.3392	NA	PeJP	NA	NA
+PJ019701	CHHRR 	C27H45N15O6S	707.3398	NA	PeJP	NA	NA
+PJ019702	GSCKKW 	C31H49N9O8S	707.3425	NA	PeJP	NA	NA
+PJ019703	GLFWW 	C39H45N7O6	707.3432	NA	PeJP	NA	NA
+PJ019704	TTTTER 	C27H49N9O13	707.345	NA	PeJP	NA	NA
+PJ019705	GTLMMR 	C28H53N9O8S2	707.3459	NA	PeJP	NA	NA
+PJ019706	ASTHHR 	C28H45N13O9	707.3463	NA	PeJP	NA	NA
+PJ019707	GTTHHR 	C28H45N13O9	707.3464	NA	PeJP	NA	NA
+PJ019708	PKMFW 	C36H49N7O6S	707.3465	NA	PeJP	NA	NA
+PJ019709	STTTLW 	C32H49N7O11	707.349	NA	PeJP	NA	NA
+PJ019710	LKMMW 	C33H53N7O6S2	707.3499	NA	PeJP	NA	NA
+PJ019711	TKHHW 	C33H45N11O7	707.3504	NA	PeJP	NA	NA
+MJ091379	Lucensomycin 	C36H53NO13	707.35169	NA	MeJP	NA	NA
+PJ019712	STLKEM 	C29H53N7O11S	707.3524	NA	PeJP	NA	NA
+PJ019713	APPMHR 	C30H49N11O7S	707.3538	NA	PeJP	NA	NA
+PJ019714	GSSSSKR 	C26H49N11O12	707.3562	NA	PeJP	NA	NA
+PJ019715	ACCKKR 	C27H53N11O7S2	707.3571	NA	PeJP	NA	NA
+PJ019716	LQERY 	C31H49N9O10	707.3603	NA	PeJP	NA	NA
+PJ019717	STTLMR 	C28H53N9O10S	707.3636	NA	PeJP	NA	NA
+PJ019718	VLQYW 	C36H49N7O8	707.3643	NA	PeJP	NA	NA
+PJ019719	KMHHR 	C29H49N13O6S	707.365	NA	PeJP	NA	NA
+PJ019720	GPLKMY 	C33H53N7O8S	707.3677	NA	PeJP	NA	NA
+PJ019721	ATTTTTL 	C29H53N7O13	707.3701	NA	PeJP	NA	NA
+PJ019722	SSSTTLL 	C29H53N7O13	707.3702	NA	PeJP	NA	NA
+PJ019723	SVLKMM 	C30H57N7O8S2	707.371	NA	PeJP	NA	NA
+PJ019724	VDRRY 	C30H49N11O9	707.3715	NA	PeJP	NA	NA
+MJ091380	Fumonisin C1 	C33H57NO15	707.37282	NA	MeJP	NA	NA
+PJ019725	SSCKKR 	C27H53N11O9S	707.3749	NA	PeJP	NA	NA
+PJ019726	ALRYW 	C35H49N9O7	707.3755	NA	PeJP	NA	NA
+MJ091381	Reserpine, 1-(Diethylaminoethyl) 	C39H53N3O9	707.37818	NA	MeJP	NA	NA
+PJ019727	AALMFR 	C32H53N9O7S	707.3789	NA	PeJP	NA	NA
+PJ019728	GSSTTKK 	C28H53N9O12	707.3814	NA	PeJP	NA	NA
+PJ019729	ACKKKM 	C29H57N9O7S2	707.3823	NA	PeJP	NA	NA
+PJ019730	GPNKHR 	C29H49N13O8	707.3827	NA	PeJP	NA	NA
+PJ019731	GGGPKHR 	C29H49N13O8	707.3828	NA	PeJP	NA	NA
+PJ019732	GVLKEY 	C33H53N7O10	707.3854	NA	PeJP	NA	NA
+PJ019733	PLHRW 	C34H49N11O6	707.3868	NA	PeJP	NA	NA
+PJ019734	VMFRR 	C31H53N11O6S	707.3901	NA	PeJP	NA	NA
+PJ019735	LKERY 	C32H53N9O9	707.3966	NA	PeJP	NA	NA
+PJ019736	GSLLRY 	C32H53N9O9	707.3967	NA	PeJP	NA	NA
+PJ019737	SSKKKM 	C29H57N9O9S	707.4	NA	PeJP	NA	NA
+PJ019738	VLKYW 	C37H53N7O7	707.4007	NA	PeJP	NA	NA
+PJ019739	GLLKMF 	C34H57N7O7S	707.4041	NA	PeJP	NA	NA
+PJ019740	TLRRY 	C31H53N11O8	707.4079	NA	PeJP	NA	NA
+PJ019741	ATLLKY 	C34H57N7O9	707.4218	NA	PeJP	NA	NA
+MJ091382	Obtusolactam; 3-O-[6-Deoxy-3-O-methyl-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C38H61NO11	707.424461	NA	MeJP	NA	NA
+PJ019742	AAKKKY 	C33H57N9O8	707.433	NA	PeJP	NA	NA
+PJ019743	GGVLLLH 	C33H57N9O8	707.4331	NA	PeJP	NA	NA
+PJ019744	GLLLHR 	C32H57N11O7	707.4443	NA	PeJP	NA	NA
+HMDB08873	PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C39H66NO8P	707.452576	NA	HMDB2010	NA	NA
+HMDB09449	PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	C39H66NO8P	707.452576	NA	HMDB2010	NA	NA
+PJ019745	GPPVLLL 	C35H61N7O8	707.4582	NA	PeJP	NA	NA
+MJ091383	Lanost-8-ene-2,3,12,24,25-pentol, 2-O-[3-Hydroxy-4-[[[(methoxycarbonyl)methyl]amino]carbonyl]-3-methylbutanoyl] 	C39H65NO10	707.460847	NA	MeJP	NA	NA
+MJ091384	Lanost-8-ene-2,3,12,24,25-pentol, 3-O-[3-Hydroxy-4-[[[(methoxycarbonyl)methyl]amino]carbonyl]-3-methylbutanoyl] 	C39H65NO10	707.460847	NA	MeJP	NA	NA
+PJ019746	PPLLLR 	C34H61N9O7	707.4694	NA	PeJP	NA	NA
+HMDB00614	Dipalmitoylphosphatidylserine	C36H70NO10P	707.47375	http://www.hmdb.ca/metabolites/HMDB00614	HMDB	NA	NA
+HMDB00614	Dipalmitoylphosphatidylserine	C36H70NO10P	707.47375	HMDB00614	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12332	PS(14:0/16:0)	C36H70NO10P	707.473755	NA	HMDB2010	NA	NA
+HMDB12352	PS(16:0/14:0)	C36H70NO10P	707.473755	NA	HMDB2010	NA	NA
+MJ091385	Spirolide D 	C43H65NO7	707.476103	NA	MeJP	NA	NA
+HMDB06747	Galactosylceramide	C37H73NO11	707.51837	http://www.hmdb.ca/metabolites/HMDB06747	HMDB	NA	NA
+HMDB06747	Galactosylceramide	C37H73NO11	707.51837	HMDB06747	PFEM_hmdb_metabocards_official	NA	NA
+MJ091386	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-(6-Amino-6-deoxy-?-D-glucopyranoside) 	C41H73NO8	707.533618	NA	MeJP	NA	NA
+C18076	5'-Phosphoguanylyl(3'->5')guanosine	C20H26N10O15P2	708.1054	NA	KEGG	NA	NA
+HMDB01507	Diguanosine diphosphate	C20H26N10O15P2	708.105408	NA	HMDB2010	NA	NA
+HMDB01507	Diguanosine diphosphate	C20H26N10O15P2	708.10541	http://www.hmdb.ca/metabolites/HMDB01507	HMDB	NA	NA
+HMDB01507	Diguanosine diphosphate	C20H26N10O15P2	708.10541	HMDB01507	PFEM_hmdb_metabocards_official	NA	NA
+PJ019747	CCCCDY 	C25H36N6O10S4	708.1376	NA	PeJP	NA	NA
+MJ091387	Cyclic malyl cyanidin 	C31H33O19(+)	708.153778	NA	MeJP	NA	NA
+PJ019748	CCCCMF 	C26H40N6O7S5	708.1562	NA	PeJP	NA	NA
+PJ019749	CCCDEH 	C24H36N8O11S3	708.1666	NA	PeJP	NA	NA
+PJ019750	DDDDDD 	C24H32N6O19	708.1723	NA	PeJP	NA	NA
+PJ019751	SCCCMY 	C26H40N6O9S4	708.174	NA	PeJP	NA	NA
+FL5FABGS0009	Kaempferide 3-rhamnoside-7-(6''-succinylglucoside)	C32H36O18	708.19016	107286-94-2	knapsack	NA	NA
+FL5FECGS0045	Patuletin 3,7-bis(3-acetylrhamnoside)	C32H36O18	708.19016	125140-18-3	knapsack	NA	NA
+FL5FECGS0046	Patuletin 3-(4''-acetylrhamnoside)-7-(2'''-acetylrhamnoside)	C32H36O18	708.19016	160472-99-1	knapsack	NA	NA
+FL5FECGS0047	Patuletin 3-(4''-acetylrhamnoside)-7-(3'''-acetylrhamnoside)	C32H36O18	708.19016	125140-17-2	knapsack	NA	NA
+FL5FECGS0048	Patuletin 3-rhamnoside-7-(3''',4'''-diacetylrhamnoside)	C32H36O18	708.19016	125140-16-1	knapsack	NA	NA
+MJ091388	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3,7-Bis(3-O-acetyl-?-L-rhamnopyranoside) 	C32H36O18	708.190164	NA	MeJP	NA	NA
+MJ091389	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(2-O-acetyl-?-L-rhamnopyranoside) 	C32H36O18	708.190164	NA	MeJP	NA	NA
+MJ091390	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(3-O-acetyl-?-L-rhamnopyranoside) 	C32H36O18	708.190164	NA	MeJP	NA	NA
+MJ091391	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(3,4-di-O-acetyl-?-L-rhamnopyranoside) 	C32H36O18	708.190164	NA	MeJP	NA	NA
+MJ091392	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-(6-O-succinoyl-?-D-glucopyranoside) 	C32H36O18	708.190164	NA	MeJP	NA	NA
+MJ091393	5,7,8-Trihydroxy-4'-methoxyflavone; 7-O-?-D-Glucopyranoside, 8-O-(di-O-acetyl-?-D-glucopyranoside) 	C32H36O18	708.190164	NA	MeJP	NA	NA
+PJ019752	CNNDDE 	C24H36N8O15S	708.2021	NA	PeJP	NA	NA
+PJ019753	SCCEMH 	C25H40N8O10S3	708.203	NA	PeJP	NA	NA
+PJ019754	ACCCFY 	C30H40N6O8S3	708.207	NA	PeJP	NA	NA
+PJ019755	SDDDEE 	C25H36N6O18	708.2086	NA	PeJP	NA	NA
+PJ019756	PCDDEM 	C26H40N6O13S2	708.2095	NA	PeJP	NA	NA
+MJ091394	Pradimicin A; 3'-O-Deglycosyl 	C35H36N2O14	708.216653	NA	MeJP	NA	NA
+C06783	Pradimicin B	C35H36N2O14	708.2167	NA	KEGG	NA	NA
+PJ019757	GCNDDW 	C28H36N8O12S	708.2174	NA	PeJP	NA	NA
+PJ019758	PCCCHF 	C29H40N8O7S3	708.2182	NA	PeJP	NA	NA
+PJ019759	GSSNDDD 	C24H36N8O17	708.2199	NA	PeJP	NA	NA
+MJ091395	Sanggenon D 	C40H36O12	708.220676	NA	MeJP	NA	NA
+MJ091396	Sanggenon Q 	C40H36O12	708.220676	NA	MeJP	NA	NA
+C09834	Sanggenon C	C40H36O12	708.2207	NA	KEGG	NA	NA
+C09835	Sanggenon D	C40H36O12	708.2207	NA	KEGG	NA	NA
+PJ019760	GSPCCNE 	C25H40N8O12S2	708.2207	NA	PeJP	NA	NA
+PJ019761	GGGPTCCD 	C25H40N8O12S2	708.2208	NA	PeJP	NA	NA
+PJ019762	GCMMMH 	C26H44N8O7S4	708.2216	NA	PeJP	NA	NA
+PJ019763	GTCCYY 	C30H40N6O10S2	708.2248	NA	PeJP	NA	NA
+MJ091397	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; ?''-O-(3-Methylbutanoyl), 6''-O-?-L-rhamnopyranosyl 	C33H40O17	708.226549	NA	MeJP	NA	NA
+MJ091398	Sucrose; 3'-O-(3,4,5-Trimethoxy-E-cinnamoyl), 6-O-(4-hydroxy-E-cinnamoyl) 	C33H40O17	708.226549	NA	MeJP	NA	NA
+PJ019764	GDEEEM 	C26H40N6O15S	708.2273	NA	PeJP	NA	NA
+PJ019765	CNNNNM 	C24H40N10O11S2	708.232	NA	PeJP	NA	NA
+PJ019766	SPCCNW 	C29H40N8O9S2	708.236	NA	PeJP	NA	NA
+PJ019767	SNNDEM 	C25H40N8O14S	708.2385	NA	PeJP	NA	NA
+PJ019768	STCMMH 	C26H44N8O9S3	708.2394	NA	PeJP	NA	NA
+PJ019769	DEEMW 	C30H40N6O12S	708.2425	NA	PeJP	NA	NA
+PJ019770	SSEEEE 	C26H40N6O17	708.245	NA	PeJP	NA	NA
+PJ019771	SPDEMM 	C27H44N6O12S2	708.2459	NA	PeJP	NA	NA
+PJ019772	GDDEHH 	C27H36N10O13	708.2464	NA	PeJP	NA	NA
+PJ019773	PPCMMM 	C28H48N6O7S4	708.2468	NA	PeJP	NA	NA
+PJ019774	SCNDDR 	C24H40N10O13S	708.2497	NA	PeJP	NA	NA
+PJ019775	GGGGGGGSTC 	C24H40N10O13S	708.2498	NA	PeJP	NA	NA
+PJ019776	PCCCQR 	C25H44N10O8S3	708.2506	NA	PeJP	NA	NA
+MJ091399	Jaspamide 	C36H45BrN4O6	708.252247	NA	MeJP	NA	NA
+PJ019777	GSNDMW 	C29H40N8O11S	708.2538	NA	PeJP	NA	NA
+PJ019778	GSSSNEE 	C25H40N8O16	708.2562	NA	PeJP	NA	NA
+PJ019779	GGGSSSEE 	C25H40N8O16	708.2563	NA	PeJP	NA	NA
+PJ019780	GNQEMM 	C26H44N8O11S2	708.2571	NA	PeJP	NA	NA
+PJ019781	CNFYY 	C34H40N6O9S	708.2578	NA	PeJP	NA	NA
+PJ019782	GPDEEY 	C30H40N6O14	708.2603	NA	PeJP	NA	NA
+PJ019783	PPCDMF 	C31H44N6O9S2	708.2612	NA	PeJP	NA	NA
+PJ019784	DDHHW 	C31H36N10O10	708.2616	NA	PeJP	NA	NA
+C10439	4'-Cinnamoylmussatioside	C34H44O16	708.2629	NA	KEGG	NA	NA
+MJ091400	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-4-cinnamoyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H44O16	708.262935	NA	MeJP	NA	NA
+MJ091401	Azadirachtin; O1-Detigloyl, O1-(2-methylpropanoyl) 	C34H44O16	708.262935	NA	MeJP	NA	NA
+MJ091402	Hinokiresinol, 4'-O-?-D-Glucopyranoside, 4''-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C34H44O16	708.262935	NA	MeJP	NA	NA
+MJ091403	Suspensolide A; 6''-(4-Hydroxycinnamoyl) 	C34H44O16	708.262935	NA	MeJP	NA	NA
+PJ019785	ATEEEM 	C27H44N6O14S	708.2637	NA	PeJP	NA	NA
+PJ019786	APEMMM 	C28H48N6O9S3	708.2645	NA	PeJP	NA	NA
+PJ019787	SPCEHH 	C28H40N10O10S	708.265	NA	PeJP	NA	NA
+PJ019788	SSSSNNN 	C24H40N10O15	708.2675	NA	PeJP	NA	NA
+PJ019789	GCNEMR 	C25H44N10O10S2	708.2684	NA	PeJP	NA	NA
+PJ019790	SCQWW 	C33H40N8O8S	708.269	NA	PeJP	NA	NA
+PJ019791	SSSNEW 	C29H40N8O13	708.2715	NA	PeJP	NA	NA
+PJ019792	NQMMW 	C30H44N8O8S2	708.2724	NA	PeJP	NA	NA
+PJ019793	SSQQEM 	C26H44N8O13S	708.2749	NA	PeJP	NA	NA
+PJ019794	PDEYW 	C34H40N6O11	708.2755	NA	PeJP	NA	NA
+PJ019795	PCCQKM 	C27H48N8O8S3	708.2758	NA	PeJP	NA	NA
+PJ019796	GNNMHH 	C27H40N12O9S	708.2762	NA	PeJP	NA	NA
+PJ019797	SPPDMY 	C31H44N6O11S	708.2789	NA	PeJP	NA	NA
+PJ019798	GCCDRR 	C24H44N12O9S2	708.2796	NA	PeJP	NA	NA
+PJ019799	TTTEEE 	C27H44N6O16	708.2814	NA	PeJP	NA	NA
+PJ019800	GLEEMM 	C28H48N6O11S2	708.2823	NA	PeJP	NA	NA
+PJ019801	GNNNQY 	C28H40N10O12	708.2827	NA	PeJP	NA	NA
+PJ019802	GGGGGNQY 	C28H40N10O12	708.2828	NA	PeJP	NA	NA
+PJ019803	CNMRW 	C29H44N10O7S2	708.2836	NA	PeJP	NA	NA
+PJ019804	SSNDMR 	C25H44N10O12S	708.2861	NA	PeJP	NA	NA
+PJ019805	GSSSWW 	C33H40N8O10	708.2868	NA	PeJP	NA	NA
+PJ019806	PCCCKR 	C26H48N10O7S3	708.287	NA	PeJP	NA	NA
+PJ019807	GSTQMW 	C30H44N8O10S	708.2901	NA	PeJP	NA	NA
+PJ019808	GGGGAPMY 	C30H44N8O10S	708.2902	NA	PeJP	NA	NA
+PJ019809	GSSSDKE 	C26H44N8O15	708.2926	NA	PeJP	NA	NA
+PJ019810	GNKEMM 	C27H48N8O10S2	708.2935	NA	PeJP	NA	NA
+PJ019811	SSNQHH 	C27H40N12O11	708.294	NA	PeJP	NA	NA
+PJ019812	PEMFW 	C35H44N6O8S	708.2942	NA	PeJP	NA	NA
+8203	peptide from Cornu Bubali (Bubalus Bubalis horn)	QYDQGV	708.2949	Dipeptides  ;SYN:L-Cysteinylglycine; N-L-Cysteinylglycine; N-L-cysteinyl-Glycine; N-cysteinyl Glycine; N-cysteinyl-Glycine;Cys-GlyH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ019813	APTEEY 	C31H44N6O13	708.2967	NA	PeJP	NA	NA
+PJ019814	LEMMW 	C32H48N6O8S2	708.2975	NA	PeJP	NA	NA
+PJ019815	TEHHW 	C32H40N10O9	708.298	NA	PeJP	NA	NA
+PJ019816	STLEEM 	C28H48N6O13S	708.3	NA	PeJP	NA	NA
+PJ019817	SPLMMM 	C29H52N6O8S3	708.3009	NA	PeJP	NA	NA
+PJ019818	GSTCRW 	C29H44N10O9S	708.3014	NA	PeJP	NA	NA
+PJ019819	GNFWW 	C37H40N8O7	708.302	NA	PeJP	NA	NA
+PJ019820	GSSSSER 	C25H44N10O14	708.3039	NA	PeJP	NA	NA
+PJ019821	GSQMMR 	C26H48N10O9S2	708.3047	NA	PeJP	NA	NA
+PJ019822	GGGTMMR 	C26H48N10O9S2	708.3048	NA	PeJP	NA	NA
+PJ019823	SCKWW 	C34H44N8O7S	708.3054	NA	PeJP	NA	NA
+PJ019824	SSSDKW 	C30H44N8O12	708.3079	NA	PeJP	NA	NA
+PJ019825	NKMMW 	C31H48N8O7S2	708.3088	NA	PeJP	NA	NA
+PJ019826	SSQKEM 	C27H48N8O12S	708.3113	NA	PeJP	NA	NA
+PJ019827	VEEFW 	C35H44N6O10	708.3119	NA	PeJP	NA	NA
+PJ019828	PCCKKM 	C28H52N8O7S3	708.3121	NA	PeJP	NA	NA
+PJ019829	EMHHR 	C28H44N12O8S	708.3126	NA	PeJP	NA	NA
+MJ091404	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-Cinnamoyl, 2,7,9,10,13-penta-Ac 	C39H48O12	708.314577	NA	MeJP	NA	NA
+PJ019830	GPLEMY 	C32H48N6O10S	708.3153	NA	PeJP	NA	NA
+PJ019831	GSCMRR 	C25H48N12O8S2	708.316	NA	PeJP	NA	NA
+PJ019832	VMHHW 	C33H44N10O6S	708.3166	NA	PeJP	NA	NA
+PJ019833	SVLEMM 	C29H52N6O10S2	708.3187	NA	PeJP	NA	NA
+PJ019834	SSSSRW 	C29H44N10O11	708.3191	NA	PeJP	NA	NA
+PJ019835	GGGGGGGKY 	C29H44N10O11	708.3192	NA	PeJP	NA	NA
+PJ019836	AAHHHH 	C30H40N14O7	708.3205	NA	PeJP	NA	NA
+PJ019837	SSTQMR 	C26H48N10O11S	708.3225	NA	PeJP	NA	NA
+PJ019838	VNQYW 	C34H44N8O9	708.3231	NA	PeJP	NA	NA
+PJ019839	GGVQYW 	C34H44N8O9	708.3232	NA	PeJP	NA	NA
+PJ019840	GSTKMW 	C31H48N8O9S	708.3265	NA	PeJP	NA	NA
+PJ019841	PPFYW 	C39H44N6O7	708.3272	NA	PeJP	NA	NA
+PJ019842	GSSTTKE 	C27H48N8O14	708.329	NA	PeJP	NA	NA
+PJ019843	GDKKMM 	C28H52N8O9S2	708.3299	NA	PeJP	NA	NA
+PJ019844	GPNEHR 	C28H44N12O10	708.3304	NA	PeJP	NA	NA
+PJ019845	PLMYW 	C36H48N6O7S	708.3305	NA	PeJP	NA	NA
+PJ019846	PPVCFF 	C36H48N6O7S	708.3306	NA	PeJP	NA	NA
+PJ019847	SPTLEY 	C32H48N6O12	708.333	NA	PeJP	NA	NA
+PJ019848	GVLEEY 	C32H48N6O12	708.3331	NA	PeJP	NA	NA
+MJ091405	Bastaxanthol; 3'?-Alcohol, 16'-carboxylic acid, 3-O-sulfate 	C40H52O9S	708.333203	NA	MeJP	NA	NA
+PJ019849	SSTCRR 	C25H48N12O10S	708.3337	NA	PeJP	NA	NA
+PJ019850	APLMMF 	C33H52N6O7S2	708.3339	NA	PeJP	NA	NA
+MJ091406	Anchinopeptolide A; 7'-Demethyl 	C33H44N10O8	708.334358	NA	MeJP	NA	NA
+MJ091407	Anchinopeptolide A; 7-Demethyl 	C33H44N10O8	708.334358	NA	MeJP	NA	NA
+MJ091408	Cycloanchinopeptolide C 	C33H44N10O8	708.334358	NA	MeJP	NA	NA
+PJ019851	GQRYW 	C33H44N10O8	708.3344	NA	PeJP	NA	NA
+MJ091409	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5,7-Bis(2-methylpropanoyl), 2,3,8,9-tetra-Ac 	C36H52O14	708.335706	NA	MeJP	NA	NA
+MJ091410	2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 16-Octanoyl, 2,9,12,14-tetra-Ac 	C36H52O14	708.335706	NA	MeJP	NA	NA
+MJ091411	3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C36H52O14	708.335706	NA	MeJP	NA	NA
+MJ091412	3,12,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C36H52O14	708.335706	NA	MeJP	NA	NA
+MJ091413	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C36H52O14	708.335706	NA	MeJP	NA	NA
+MJ091414	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucos-3-ulosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H52O14	708.335706	NA	MeJP	NA	NA
+MJ091415	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Hexanoyl, 4,7,9,10,13-penta-Ac 	C36H52O14	708.335706	NA	MeJP	NA	NA
+PJ019852	ALLMMM 	C30H56N6O7S3	708.3373	NA	PeJP	NA	NA
+PJ019853	QQMFR 	C30H48N10O8S	708.3377	NA	PeJP	NA	NA
+PJ019854	GAQMFR 	C30H48N10O8S	708.3378	NA	PeJP	NA	NA
+MJ091416	27-Norergost-22-ene-3,6,8,15,16,26-hexol, 26-O-(4-O-Sulfo-?-D-glucopyranoside) 	C33H56O14S	708.339077	NA	MeJP	NA	NA
+MJ091417	Ergost-22-ene-3,6,7,8,15,16,26-heptol, 3-O-?-D-Xylopyranoside, 26-sulfate 	C33H56O14S	708.339077	NA	MeJP	NA	NA
+PJ019855	ASSSTTR 	C26H48N10O13	708.3402	NA	PeJP	NA	NA
+PJ019856	GSSTTTR 	C26H48N10O13	708.3403	NA	PeJP	NA	NA
+PJ019857	GSKMMR 	C27H52N10O8S2	708.3411	NA	PeJP	NA	NA
+PJ019858	KMHFF 	C35H48N8O6S	708.3418	NA	PeJP	NA	NA
+PJ019859	SSTTKW 	C31H48N8O11	708.3443	NA	PeJP	NA	NA
+PJ019860	PNHRW 	C32H44N12O7	708.3456	NA	PeJP	NA	NA
+PJ019861	TTTQKM 	C28H52N8O11S	708.3476	NA	PeJP	NA	NA
+PJ019862	SSKKEM 	C28H52N8O11S	708.3477	NA	PeJP	NA	NA
+MJ091418	Antibiotic A 54556; Antibiotic A 54556H 	C36H48N6O9	708.348277	NA	MeJP	NA	NA
+MJ091419	N-[[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acetyl]leucyl-?-aspartylvalylproline 	C36H48N6O9	708.348277	NA	MeJP	NA	NA
+PJ019863	VLEYW 	C36H48N6O9	708.3483	NA	PeJP	NA	NA
+PJ019864	CQFRR 	C29H48N12O7S	708.349	NA	PeJP	NA	NA
+MJ091420	Antibiotic VM 44866; 26-(3-Furanylacetoxy) 	C40H52O11	708.350962	NA	MeJP	NA	NA
+PJ019865	SPVLMY 	C33H52N6O9S	708.3517	NA	PeJP	NA	NA
+PJ019866	TTLLMM 	C30H56N6O9S2	708.355	NA	PeJP	NA	NA
+PJ019867	NKERY 	C30H48N10O10	708.3555	NA	PeJP	NA	NA
+PJ019868	SSTKMR 	C27H52N10O10S	708.3589	NA	PeJP	NA	NA
+PJ019869	VNKYW 	C35H48N8O8	708.3595	NA	PeJP	NA	NA
+PJ019870	APCKKY 	C32H52N8O8S	708.3629	NA	PeJP	NA	NA
+PJ019871	PLFFW 	C40H48N6O6	708.3636	NA	PeJP	NA	NA
+MJ091421	Ornibactin C6 	C28H52N8O13	708.365383	NA	MeJP	NA	NA
+PJ019872	SSSSTLK 	C28H52N8O13	708.3654	NA	PeJP	NA	NA
+PJ019873	ATKKMM 	C29H56N8O8S2	708.3663	NA	PeJP	NA	NA
+PJ019874	SQRRY 	C29H48N12O9	708.3667	NA	PeJP	NA	NA
+PJ019875	GGTRRY 	C29H48N12O9	708.3668	NA	PeJP	NA	NA
+PJ019876	LLMFW 	C37H52N6O6S	708.3669	NA	PeJP	NA	NA
+PJ019877	ATLLEY 	C33H52N6O11	708.3694	NA	PeJP	NA	NA
+PJ019878	GKRYW 	C34H48N10O7	708.3708	NA	PeJP	NA	NA
+PJ019879	QKMFR 	C31H52N10O7S	708.3741	NA	PeJP	NA	NA
+PJ019880	GAKMFR 	C31H52N10O7S	708.3742	NA	PeJP	NA	NA
+MJ091422	Stigmastane-3,6,8,15,16,26-hexol, 26-O-?-D-Xylopyranoside, 3-sulfate 	C34H60O13S	708.375462	NA	MeJP	NA	NA
+MJ091423	Stigmastane-3,6,8,15,16,29-hexol, 29-?-D-Xylopyranoside, 15-sulfate 	C34H60O13S	708.375462	NA	MeJP	NA	NA
+PJ019881	GSPHRR 	C28H48N14O8	708.378	NA	PeJP	NA	NA
+PJ019882	AAKKEY 	C32H52N8O10	708.3807	NA	PeJP	NA	NA
+PJ019883	LHHFR 	C33H48N12O6	708.382	NA	PeJP	NA	NA
+PJ019884	TTTKKM 	C29H56N8O10S	708.384	NA	PeJP	NA	NA
+PJ019885	GPLLFY 	C37H52N6O8	708.3847	NA	PeJP	NA	NA
+PJ019886	CKFRR 	C30H52N12O6S	708.3854	NA	PeJP	NA	NA
+PJ019887	GLLLMY 	C34H56N6O8S	708.3881	NA	PeJP	NA	NA
+PJ019888	DKKRY 	C31H52N10O9	708.3919	NA	PeJP	NA	NA
+MJ091424	Tricolorin F 	C34H60O15	708.393221	NA	MeJP	NA	NA
+PJ019889	TKKFW 	C36H52N8O7	708.3959	NA	PeJP	NA	NA
+PJ019890	GVKKMF 	C33H56N8O7S	708.3993	NA	PeJP	NA	NA
+MJ091425	Palinavir 	C41H52N6O5	708.399918	NA	MeJP	NA	NA
+PJ019891	SKRRY 	C30H52N12O8	708.4031	NA	PeJP	NA	NA
+PJ019892	GGGLLHR 	C30H52N12O8	708.4032	NA	PeJP	NA	NA
+PJ019893	STLLLY 	C34H56N6O10	708.4058	NA	PeJP	NA	NA
+MJ091426	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-galactopyranoside 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091427	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 25-Ac, 2-O-?-D-glucopyranoside 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091428	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 2-Ac, ?-D-glucopyranosyl ester 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091429	24,25-Epoxy-2,3,25-trihydroxy-19,20-seco-9(11)-fernen-19-oic acid, 2-Ac, 3-O-?-D-glucopyranoside 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091430	Hovenidulcigenin A; 24,25?-Dihydro, 3-O-?-D-glucopyranoside 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091431	Spirost-5-en-3-ol, 3-O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside] 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091432	Spirost-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091433	Spirost-5-ene-1,3-diol, 1-O-?-D-Xylopyranoside, 3-O-?-L-rhamnopyranoside 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091434	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C38H60O12	708.408477	NA	MeJP	NA	NA
+MJ091435	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C38H60O12	708.408477	NA	MeJP	NA	NA
+PJ019894	KKMFR 	C32H56N10O6S	708.4105	NA	PeJP	NA	NA
+PJ019895	LQHRR 	C29H52N14O7	708.4144	NA	PeJP	NA	NA
+PJ019896	ASLKKY 	C33H56N8O9	708.417	NA	PeJP	NA	NA
+PJ019897	GTLKKY 	C33H56N8O9	708.4171	NA	PeJP	NA	NA
+PJ019898	GLLLFF 	C38H56N6O7	708.4211	NA	PeJP	NA	NA
+MJ091436	Melianin A; 23-Deoxy, 24?-methoxy (24S-) 	C42H60O9	708.423733	NA	MeJP	NA	NA
+MJ091437	Melianin A; 23-Deoxy, 24?-methoxy (24R-) 	C42H60O9	708.423733	NA	MeJP	NA	NA
+PJ019899	PPVLQR 	C32H56N10O8	708.4283	NA	PeJP	NA	NA
+PJ019900	APPLRR 	C31H56N12O7	708.4395	NA	PeJP	NA	NA
+MJ091438	Spergulatriol; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C39H64O11	708.444862	NA	MeJP	NA	NA
+PJ019901	LKHRR 	C30H56N14O6	708.4508	NA	PeJP	NA	NA
+PJ019902	TLLLLH 	C34H60N8O8	708.4534	NA	PeJP	NA	NA
+PJ019903	GPPVVLK 	C34H60N8O8	708.4535	NA	PeJP	NA	NA
+MJ091439	4,9,12,13,20-Pentahydroxy-1,6-tigliadien-3-one, 20-(9Z,12Z-Octadecadienoyl), 13-tigloyl 	C43H64O8	708.460119	NA	MeJP	NA	NA
+MJ091440	Lanost-5-ene-3,26-diol, 3-Ketone, 26-O-(4-O-benzoyl-?-D-glucopyranoside) 	C43H64O8	708.460119	NA	MeJP	NA	NA
+PJ019904	PPVLKR 	C33H60N10O7	708.4647	NA	PeJP	NA	NA
+MJ091441	Grisorixin 	C40H68O10	708.481248	NA	MeJP	NA	NA
+MJ091442	Stigmast-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C40H68O10	708.481248	NA	MeJP	NA	NA
+MJ091443	Belamcandone A 	C44H68O7	708.496504	NA	MeJP	NA	NA
+MJ091444	Fritillebin B 	C44H68O7	708.496504	NA	MeJP	NA	NA
+MJ091445	Ionomycin 	C41H72O9	708.517633	NA	MeJP	NA	NA
+MJ091446	3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone, 23-hexadecanoyl 	C46H76O5	708.569275	NA	MeJP	NA	NA
+MJ091447	3,3',4,4'-Tetrahydrobisanhydrobacterioruberin 	C50H76O2	708.584531	NA	MeJP	NA	NA
+MJ091448	20(29)-Lupene-3,24-diol, 24-Carboxylic acid, 3-hexadecanoyl, Me ester 	C47H80O4	708.605661	NA	MeJP	NA	NA
+MJ091449	1,3,5-Tris(tetradecanoyl)benzene 	C48H84O3	708.642046	NA	MeJP	NA	NA
+MJ091450	20(29)-Lupen-3-ol, (3-Hydroxyoctadecanoyl) 	C48H84O3	708.642046	NA	MeJP	NA	NA
+MJ091451	20(29)-Lupene-3,6-diol, 3-Octadecanoyl 	C48H84O3	708.642046	NA	MeJP	NA	NA
+HMDB07180	DG(18:0/24:0/0:0)	C45H88O5	708.663147	NA	HMDB2010	NA	NA
+HMDB07376	DG(20:0/22:0/0:0)	C45H88O5	708.663147	NA	HMDB2010	NA	NA
+HMDB07600	DG(22:0/20:0/0:0)	C45H88O5	708.663147	NA	HMDB2010	NA	NA
+HMDB07796	DG(24:0/18:0/0:0)	C45H88O5	708.663147	NA	HMDB2010	NA	NA
+MJ091452	Glycerol 1,3-dialkanoates; Glycerol 1-docosanoate 3-eicosanoate 	C45H88O5	708.663175	NA	MeJP	NA	NA
+HMDB06727	CE(22:0)	C49H88O2	708.678406	NA	HMDB2010	NA	NA
+HMDB06727	Cholesteryl behenic acid	C49H88O2	708.67841	http://www.hmdb.ca/metabolites/HMDB06727	HMDB	NA	NA
+HMDB06727	Cholesteryl behenic acid	C49H88O2	708.67841	HMDB06727	PFEM_hmdb_metabocards_official	NA	NA
+MJ091453	Stigmast-5-en-3-ol, Eicosanoyl 	C49H88O2	708.678432	NA	MeJP	NA	NA
+FL7AACGL0098	Cyanidin 3,5-diglucoside (6'',6'''-malyl diester)	C31H33O19	709.1616	-	knapsack	NA	NA
+PJ019905	CCCNMH 	C24H39N9O8S4	709.1805	NA	PeJP	NA	NA
+PJ019906	CNDDDE 	C24H35N7O16S	709.1861	NA	PeJP	NA	NA
+PJ019907	GSTCCCH 	C24H39N9O10S3	709.1982	NA	PeJP	NA	NA
+PJ019908	GGGGGPCCC 	C24H39N9O10S3	709.1983	NA	PeJP	NA	NA
+PJ019909	GCDDDW 	C28H35N7O13S	709.2014	NA	PeJP	NA	NA
+PJ019910	GSSDDDD 	C24H35N7O18	709.2039	NA	PeJP	NA	NA
+PJ019911	GSPCCDE 	C25H39N7O13S2	709.2048	NA	PeJP	NA	NA
+PJ019912	GPPCCCM 	C26H43N7O8S4	709.2056	NA	PeJP	NA	NA
+PJ019913	SSSSCCH 	C24H39N9O12S2	709.216	NA	PeJP	NA	NA
+PJ019914	SPCCDW 	C29H39N7O10S2	709.22	NA	PeJP	NA	NA
+PJ019915	SNDDEM 	C25H39N7O15S	709.2225	NA	PeJP	NA	NA
+PJ019916	PCNDMM 	C26H43N7O10S3	709.2234	NA	PeJP	NA	NA
+PJ019917	CMMYY 	C31H43N5O8S3	709.2274	NA	PeJP	NA	NA
+PJ019918	GCCNQW 	C28H39N9O9S2	709.2312	NA	PeJP	NA	NA
+PJ019919	GGGCCQW 	C28H39N9O9S2	709.2313	NA	PeJP	NA	NA
+PJ019920	GSSCNNE 	C24H39N9O14S	709.2337	NA	PeJP	NA	NA
+PJ019921	SCDDDR 	C24H39N9O14S	709.2338	NA	PeJP	NA	NA
+PJ019922	PCCCER 	C25H43N9O9S3	709.2346	NA	PeJP	NA	NA
+PJ019923	GSDDMW 	C29H39N7O12S	709.2378	NA	PeJP	NA	NA
+PJ019924	APCCMW 	C30H43N7O7S3	709.2386	NA	PeJP	NA	NA
+PJ019925	GSSSDEE 	C25H39N7O17	709.2403	NA	PeJP	NA	NA
+PJ019926	GNEEMM 	C26H43N7O12S2	709.2411	NA	PeJP	NA	NA
+PJ019927	GGGEEMM 	C26H43N7O12S2	709.2412	NA	PeJP	NA	NA
+PJ019928	CDFYY 	C34H39N5O10S	709.2418	NA	PeJP	NA	NA
+PJ019929	PCCNHH 	C27H39N11O8S2	709.2425	NA	PeJP	NA	NA
+PJ019930	SSCNNW 	C28H39N9O11S	709.249	NA	PeJP	NA	NA
+PJ019931	SSSSNND 	C24H39N9O16	709.2515	NA	PeJP	NA	NA
+PJ019932	GCDEMR 	C25H43N9O11S2	709.2524	NA	PeJP	NA	NA
+PJ019933	SCEWW 	C33H39N7O9S	709.253	NA	PeJP	NA	NA
+PJ019934	SSSDEW 	C29H39N7O14	709.2555	NA	PeJP	NA	NA
+PJ019935	NEMMW 	C30H43N7O9S2	709.2564	NA	PeJP	NA	NA
+PJ019936	SSQEEM 	C26H43N7O14S	709.2589	NA	PeJP	NA	NA
+PJ019937	SDYYY 	C34H39N5O12	709.2595	NA	PeJP	NA	NA
+PJ019938	SPNMMM 	C27H47N7O9S3	709.2598	NA	PeJP	NA	NA
+PJ019939	GNDMHH 	C27H39N11O10S	709.2602	NA	PeJP	NA	NA
+PJ019940	GGGDMHH 	C27H39N11O10S	709.2603	NA	PeJP	NA	NA
+PJ019941	CMFFY 	C35H43N5O7S2	709.2604	NA	PeJP	NA	NA
+PJ019942	SCCNQR 	C24H43N11O10S2	709.2636	NA	PeJP	NA	NA
+PJ019943	GNNNEY 	C28H39N9O13	709.2668	NA	PeJP	NA	NA
+PJ019944	CDMRW 	C29H43N9O8S2	709.2676	NA	PeJP	NA	NA
+PJ019945	SSDDMR 	C25H43N9O13S	709.2701	NA	PeJP	NA	NA
+PJ019946	NDEFW 	C33H39N7O11	709.2708	NA	PeJP	NA	NA
+PJ019947	PTCCMR 	C26H47N9O8S3	709.271	NA	PeJP	NA	NA
+PJ019948	CCLWW 	C34H43N7O6S2	709.2716	NA	PeJP	NA	NA
+PJ019949	GMMWW 	C34H43N7O6S2	709.2717	NA	PeJP	NA	NA
+MJ091454	Tolypomycinone 	C37H43NO13	709.27344	NA	MeJP	NA	NA
+PJ019950	GSTEMW 	C30H43N7O11S	709.2742	NA	PeJP	NA	NA
+PJ019951	CQHHW 	C31H39N11O7S	709.2755	NA	PeJP	NA	NA
+PJ019952	ASSSTEE 	C26H43N7O16	709.2766	NA	PeJP	NA	NA
+PJ019953	GSSTTEE 	C26H43N7O16	709.2767	NA	PeJP	NA	NA
+PJ019954	GDKEMM 	C27H47N7O11S2	709.2775	NA	PeJP	NA	NA
+PJ019955	SSNEHH 	C27H39N11O12	709.278	NA	PeJP	NA	NA
+PJ019956	AMYYY 	C35H43N5O9S	709.2782	NA	PeJP	NA	NA
+PJ019957	GSSSCNR 	C24H43N11O12S	709.2814	NA	PeJP	NA	NA
+PJ019958	NNNYW 	C32H39N9O10	709.282	NA	PeJP	NA	NA
+PJ019959	GPCDRY 	C29H43N9O10S	709.2854	NA	PeJP	NA	NA
+PJ019960	GDFWW 	C37H39N7O8	709.286	NA	PeJP	NA	NA
+PJ019961	SSSSSQQ 	C25H43N9O15	709.2879	NA	PeJP	NA	NA
+PJ019962	GSEMMR 	C26H47N9O10S2	709.2888	NA	PeJP	NA	NA
+PJ019963	STMWW 	C34H43N7O8S	709.2894	NA	PeJP	NA	NA
+PJ019964	SSTTEW 	C30H43N7O13	709.2919	NA	PeJP	NA	NA
+PJ019965	DKMMW 	C31H47N7O8S2	709.2928	NA	PeJP	NA	NA
+PJ019966	GSSHHW 	C31H39N11O9	709.2933	NA	PeJP	NA	NA
+PJ019967	CFFFF 	C39H43N5O6S	709.2934	NA	PeJP	NA	NA
+PJ019968	SSKEEM 	C27H47N7O13S	709.2953	NA	PeJP	NA	NA
+PJ019969	TTYYY 	C35H43N5O11	709.2959	NA	PeJP	NA	NA
+PJ019970	AVQMMM 	C28H51N7O8S3	709.2961	NA	PeJP	NA	NA
+PJ019971	GLQMMM 	C28H51N7O8S3	709.2962	NA	PeJP	NA	NA
+PJ019972	GCNNFR 	C28H43N11O9S	709.2966	NA	PeJP	NA	NA
+PJ019973	SCCNKR 	C25H47N11O9S2	709.3	NA	PeJP	NA	NA
+PJ019974	APPCHW 	C33H43N9O7S	709.3006	NA	PeJP	NA	NA
+PJ019975	NEERY 	C29H43N9O12	709.3031	NA	PeJP	NA	NA
+PJ019976	GGEERY 	C29H43N9O12	709.3032	NA	PeJP	NA	NA
+PJ019977	SMMRW 	C30H47N9O7S2	709.304	NA	PeJP	NA	NA
+PJ019978	SSTEMR 	C26H47N9O12S	709.3065	NA	PeJP	NA	NA
+PJ019979	VNEYW 	C34H43N7O10	709.3072	NA	PeJP	NA	NA
+PJ019980	AAMMMR 	C27H51N9O7S3	709.3074	NA	PeJP	NA	NA
+PJ019981	GTCHHR 	C27H43N13O8S	709.3079	NA	PeJP	NA	NA
+PJ019982	SSSLMW 	C31H47N7O10S	709.3105	NA	PeJP	NA	NA
+PJ019983	GGALDMF 	C31H47N7O10S	709.3106	NA	PeJP	NA	NA
+PJ019984	AFFYY 	C39H43N5O8	709.3112	NA	PeJP	NA	NA
+PJ019985	CKHHW 	C32H43N11O6S	709.3119	NA	PeJP	NA	NA
+PJ019986	SSSSTLE 	C27H47N7O15	709.313	NA	PeJP	NA	NA
+PJ019987	ATKEMM 	C28H51N7O10S2	709.3139	NA	PeJP	NA	NA
+PJ019988	GSNNRY 	C28H43N11O11	709.3144	NA	PeJP	NA	NA
+PJ019989	GERYW 	C33H43N9O9	709.3184	NA	PeJP	NA	NA
+PJ019990	GSPMRY 	C30H47N9O9S	709.3218	NA	PeJP	NA	NA
+PJ019991	GVYWW 	C38H43N7O7	709.3224	NA	PeJP	NA	NA
+PJ019992	SSSSSQK 	C26H47N9O14	709.3243	NA	PeJP	NA	NA
+PJ019993	ATTMMR 	C27H51N9O9S2	709.3251	NA	PeJP	NA	NA
+PJ019994	GGSCKKM 	C27H51N9O9S2	709.3252	NA	PeJP	NA	NA
+PJ019995	SSSHHR 	C27H43N13O10	709.3256	NA	PeJP	NA	NA
+PJ019996	VQMFW 	C35H47N7O7S	709.3258	NA	PeJP	NA	NA
+PJ019997	TTTTTW 	C31H47N7O12	709.3283	NA	PeJP	NA	NA
+PJ019998	GPKMMF 	C32H51N7O7S2	709.3292	NA	PeJP	NA	NA
+PJ019999	PDHRW 	C32H43N11O8	709.3296	NA	PeJP	NA	NA
+PJ020000	GGGVHHF 	C32H43N11O8	709.3297	NA	PeJP	NA	NA
+PJ020001	TTTKEM 	C28H51N7O12S	709.3317	NA	PeJP	NA	NA
+PJ020002	GLKMMM 	C29H55N7O7S3	709.3325	NA	PeJP	NA	NA
+PJ020003	CEFRR 	C29H47N11O8S	709.333	NA	PeJP	NA	NA
+PJ020004	RYWW 	C37H43N9O6	709.3337	NA	PeJP	NA	NA
+PJ020005	AMFRW 	C34H47N9O6S	709.337	NA	PeJP	NA	NA
+PJ020006	DKERY 	C30H47N9O11	709.3395	NA	PeJP	NA	NA
+PJ020007	GGGAASPPP 	C30H47N9O11	709.3396	NA	PeJP	NA	NA
+MJ091455	Thiazinotrienomycin A; 33,34-Dihydro 	C38H51N3O8S	709.339686	NA	MeJP	NA	NA
+MJ091456	Thiazinotrienomycin D; 33,34-Dihydro 	C38H51N3O8S	709.339686	NA	MeJP	NA	NA
+PJ020008	NHHFR 	C31H43N13O7	709.3409	NA	PeJP	NA	NA
+PJ020009	TTTTMR 	C27H51N9O11S	709.3429	NA	PeJP	NA	NA
+PJ020010	TLQYW 	C35H47N7O9	709.3435	NA	PeJP	NA	NA
+PJ020011	VDKYW 	C35H47N7O9	709.3436	NA	PeJP	NA	NA
+MJ091457	Austrotaxine; 2'-Deacetoxy 	C39H51NO11	709.346211	NA	MeJP	NA	NA
+PJ020012	APTKMY 	C32H51N7O9S	709.3469	NA	PeJP	NA	NA
+PJ020013	SSTTTTL 	C28H51N7O14	709.3494	NA	PeJP	NA	NA
+PJ020014	STLKMM 	C29H55N7O9S2	709.3503	NA	PeJP	NA	NA
+PJ020015	SERRY 	C29H47N11O10	709.3508	NA	PeJP	NA	NA
+MJ091458	Metamorphosin A 	C34H47N9O8	709.354759	NA	MeJP	NA	NA
+PJ020016	SVRYW 	C34H47N9O8	709.3548	NA	PeJP	NA	NA
+PJ020017	LQMRY 	C31H51N9O8S	709.3581	NA	PeJP	NA	NA
+PJ020018	GALMRY 	C31H51N9O8S	709.3582	NA	PeJP	NA	NA
+PJ020019	LHFFF 	C39H47N7O6	709.3588	NA	PeJP	NA	NA
+PJ020020	SSSSSKK 	C27H51N9O13	709.3606	NA	PeJP	NA	NA
+PJ020021	TCCKKK 	C28H55N9O8S2	709.3615	NA	PeJP	NA	NA
+PJ020022	AAQQHR 	C28H47N13O9	709.362	NA	PeJP	NA	NA
+PJ020023	VKMFW 	C36H51N7O6S	709.3622	NA	PeJP	NA	NA
+PJ020024	GTLKEY 	C32H51N7O11	709.3647	NA	PeJP	NA	NA
+PJ020025	GPPHFR 	C33H47N11O7	709.366	NA	PeJP	NA	NA
+MJ091459	Arenomycin B 	C36H55NO13	709.36734	NA	MeJP	NA	NA
+PJ020026	CLRRY 	C30H51N11O7S	709.3694	NA	PeJP	NA	NA
+PJ020027	NQHRR 	C27H47N15O8	709.3732	NA	PeJP	NA	NA
+PJ020028	GGGAHRR 	C27H47N15O8	709.3733	NA	PeJP	NA	NA
+PJ020029	GTTLRY 	C31H51N9O10	709.3759	NA	PeJP	NA	NA
+PJ020030	TLKYW 	C36H51N7O8	709.3799	NA	PeJP	NA	NA
+PJ020031	GGGLLFF 	C36H51N7O8	709.38	NA	PeJP	NA	NA
+PJ020032	GVLKMY 	C33H55N7O8S	709.3833	NA	PeJP	NA	NA
+PJ020033	SPTLHR 	C30H51N11O9	709.3871	NA	PeJP	NA	NA
+PJ020034	GVLEHR 	C30H51N11O9	709.3872	NA	PeJP	NA	NA
+PJ020035	AALLHW 	C35H51N9O7	709.3912	NA	PeJP	NA	NA
+MJ091460	3,14,19-Trihydroxybufa-20,22-dienolide, 3-Suberoyl-L-(3-methylhistidine) ester 	C39H55N3O9	709.39383	NA	MeJP	NA	NA
+PJ020036	LKMRY 	C32H55N9O7S	709.3945	NA	PeJP	NA	NA
+PJ020037	PPPLMR 	C32H55N9O7S	709.3946	NA	PeJP	NA	NA
+PJ020038	LEHRR 	C29H51N13O8	709.3984	NA	PeJP	NA	NA
+PJ020039	SSLLKY 	C33H55N7O10	709.4011	NA	PeJP	NA	NA
+PJ020040	VLHRW 	C34H51N11O6	709.4024	NA	PeJP	NA	NA
+MJ091461	Cirramycin A1; 4'-O-(Tetrahydro-(6R)-methyl-5-oxo-2H-pyran-2-yl) 	C37H59NO12	709.403726	NA	MeJP	NA	NA
+MJ091462	Germine; O3-(2R,3R)-2,3-Dihydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl 	C37H59NO12	709.403726	NA	MeJP	NA	NA
+MJ091463	Germine; O3-(2S,3R)-2,3-Dihydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl 	C37H59NO12	709.403726	NA	MeJP	NA	NA
+MJ091464	Protoverine; O3-(2-Hydroxy-2-methylbutanoyl), O15-(2-methylbutanoyl) 	C37H59NO12	709.403726	NA	MeJP	NA	NA
+PJ020041	NKHRR 	C28H51N15O7	709.4096	NA	PeJP	NA	NA
+PJ020042	GSKKKY 	C32H55N9O9	709.4123	NA	PeJP	NA	NA
+PJ020043	PPVVLW 	C37H55N7O7	709.4163	NA	PeJP	NA	NA
+PJ020044	ATLLHR 	C31H55N11O8	709.4235	NA	PeJP	NA	NA
+PJ020045	GGPPVKR 	C31H55N11O8	709.4236	NA	PeJP	NA	NA
+PJ020046	LKFFR 	C36H55N9O6	709.4276	NA	PeJP	NA	NA
+PJ020047	GPPKRR 	C30H55N13O7	709.4348	NA	PeJP	NA	NA
+3885	temporin C	LLPILGNLLNGLLG	709.4364	MH2+	Inhouse_peptide	NA	peptide
+PJ020048	GPPTLLL 	C34H59N7O9	709.4375	NA	PeJP	NA	NA
+MJ091465	Fasciculic acid C 	C38H63NO11	709.440111	NA	MeJP	NA	NA
+MJ091466	Spirosolan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-galactopyranoside] 	C38H63NO11	709.440111	NA	MeJP	NA	NA
+MJ091467	Spirosolan-3-ol, O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C38H63NO11	709.440111	NA	MeJP	NA	NA
+PJ020049	SLLLKH 	C33H59N9O8	709.4487	NA	PeJP	NA	NA
+MJ091468	Spirolide E 	C42H63NO8	709.455367	NA	MeJP	NA	NA
+PJ020050	GLKKKH 	C32H59N11O7	709.4599	NA	PeJP	NA	NA
+HMDB08840	PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB08871	PE(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB08872	PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB08964	PE(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB09188	PE(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB09383	PE(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB09416	PE(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+HMDB09448	PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)	C39H68NO8P	709.468262	NA	HMDB2010	NA	NA
+PJ020051	AAPLLLL 	C35H63N7O8	709.4738	NA	PeJP	NA	NA
+PJ020052	AAPILLL 	C35H63N7O8	709.4739	NA	PeJP	NA	NA
+PJ020053	PVLLLR 	C34H63N9O7	709.4851	NA	PeJP	NA	NA
+MJ091469	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside 	C41H75NO8	709.549268	NA	MeJP	NA	NA
+MJ091470	Ageliferin; 2'-Bromo, 1'-N-Me 	C23H25Br3N10O2	709.971208	NA	MeJP	NA	NA
+MJ091471	Ageliferin; 2-Bromo, 1'-N-Me 	C23H25Br3N10O2	709.971208	NA	MeJP	NA	NA
+MJ091472	Antibiotic Sch 52900; 1''-Deoxy 	C31H30N6O6S4	710.110965	NA	MeJP	NA	NA
+MJ091473	Chaetomin 	C31H30N6O6S4	710.110965	NA	MeJP	NA	NA
+PJ020054	CCCDMH 	C24H38N8O9S4	710.1645	NA	PeJP	NA	NA
+FL3FAADS0031	Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside)	C31H34O19	710.16942	592522-41-3	knapsack	NA	NA
+FL3FFCGS0009	8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]	C31H34O19	710.16942	108706-10-1	knapsack	NA	NA
+FL3FFCGS0010	8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1->2)-3''-acetylglucoside]	C31H34O19	710.16942	135626-71-0	knapsack	NA	NA
+MJ091474	3',4',5,7,8-Pentahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-3-O-acetyl-?-D-glucopyranoside] 	C31H34O19	710.169428	NA	MeJP	NA	NA
+MJ091475	3',4',5,7,8-Pentahydroxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C31H34O19	710.169428	NA	MeJP	NA	NA
+MJ091476	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,5-Bis-O-(6-O-acetyl-?-D-glucopyranoside) 	C31H35O19(+)	710.169428	NA	MeJP	NA	NA
+MJ091477	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-O-Succinoyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C31H35O19(+)	710.169428	NA	MeJP	NA	NA
+MJ091478	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C31H35O19(+)	710.169428	NA	MeJP	NA	NA
+PJ020055	CDDDDE 	C24H34N6O17S	710.1701	NA	PeJP	NA	NA
+PJ020056	GPCCCND 	C24H38N8O11S3	710.1823	NA	PeJP	NA	NA
+FL5FAAGS0121	Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one	C35H34O16	710.18468	452070-48-3	knapsack	NA	NA
+PJ020057	GCCCYY 	C29H38N6O9S3	710.1863	NA	PeJP	NA	NA
+PJ020058	CNNDDM 	C24H38N8O13S2	710.2	NA	PeJP	NA	NA
+PJ020059	SCCMMH 	C25H42N8O8S4	710.2009	NA	PeJP	NA	NA
+FL3FAADS0012	Isovitexin 7-O-xyloside-2''-O-rhamnoside	C32H38O18	710.20581	102506-63-8	knapsack	NA	NA
+FL5FAAGS0040	Sagittatin A	C32H38O18	710.20581	124704-85-4	knapsack	NA	NA
+FL5FAAGS0088	Kaempferol 3-xylosyl-(1->4)-rhamnoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-4-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H38O18	710.20581	262852-69-7	knapsack	NA	NA
+FL5FAAGS0089	Kaempferol 3-rhamnoside-7-xylosyl-(1->2)-rhamnoside;3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-7-[(6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H38O18	710.20581	238736-48-6	knapsack	NA	NA
+FL5FAAGS0090	Kaempferol 3-apiosyl-(1->4)-rhamnoside-7-rhamnoside;3-[(4-O-D-apio-beta-D-furanosyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H38O18	710.20581	262852-68-6	knapsack	NA	NA
+MJ091479	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-L-rhamnopyranoside 	C32H38O18	710.205814	NA	MeJP	NA	NA
+MJ091480	Afzelin; 7-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C32H38O18	710.205814	NA	MeJP	NA	NA
+MJ091481	Isomollupentin; 7-O-Rhamnosylglucoside 	C32H38O18	710.205814	NA	MeJP	NA	NA
+MJ091482	Isovitexin; 2''-O-?-L-Rhamnopyranosyl, 7-O-D-xyloside 	C32H38O18	710.205814	NA	MeJP	NA	NA
+MJ091483	?-Rhamnoisorobin; 3-O-[?-D-Apiofuranosyl-(1?4)-?-L-rhamnopyranoside] 	C32H38O18	710.205814	NA	MeJP	NA	NA
+MJ091484	?-Rhamnoisorobin; 3-O-[?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C32H38O18	710.205814	NA	MeJP	NA	NA
+MJ091485	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1??)-arabinoside] 	C32H38O18	710.205814	NA	MeJP	NA	NA
+PJ020060	SDDDEM 	C25H38N6O16S	710.2065	NA	PeJP	NA	NA
+PJ020061	PCDDMM 	C26H42N6O11S3	710.2074	NA	PeJP	NA	NA
+PJ020062	GSCCNNN 	C23H38N10O12S2	710.2112	NA	PeJP	NA	NA
+PJ020063	GGGGGSCCN 	C23H38N10O12S2	710.2113	NA	PeJP	NA	NA
+MJ091486	Gnetin E; 3''-Methoxy 	C43H34O10	710.215197	NA	MeJP	NA	NA
+PJ020064	GCCNEW 	C28H38N8O10S2	710.2153	NA	PeJP	NA	NA
+MJ091487	Iralukast 	C38H37F3O8S	710.216123	NA	MeJP	NA	NA
+PJ020065	GSSCNDE 	C24H38N8O15S	710.2178	NA	PeJP	NA	NA
+PJ020066	GSPCCNM 	C25H42N8O10S3	710.2186	NA	PeJP	NA	NA
+MJ091488	Bambusicolaside IV; 4-Deoxy 	C36H38O15	710.22107	NA	MeJP	NA	NA
+MJ091489	Glycerol tris(4-hydroxy-3,5-dimethoxyphenyl-2-propenoate) 	C36H38O15	710.22107	NA	MeJP	NA	NA
+MJ091490	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; Bis(3-acetoxybutanoyl), 3-hydroxybutanoyl, Ac 	C36H38O15	710.22107	NA	MeJP	NA	NA
+PJ020067	PCDDDF 	C29H38N6O13S	710.2218	NA	PeJP	NA	NA
+PJ020068	GDEEMM 	C26H42N6O13S2	710.2252	NA	PeJP	NA	NA
+PJ020069	PCCDHH 	C27H38N10O9S2	710.2265	NA	PeJP	NA	NA
+MJ091491	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 3'-O-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) 	C29H42O20	710.226943	NA	MeJP	NA	NA
+MJ091492	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?4)-D-glucopyranoside; 6-O-(4-Hydroxy-3,5-dimethoxy-E-cinnamoyl) 	C29H42O20	710.226943	NA	MeJP	NA	NA
+PJ020070	CCNWW 	C32H38N8O7S2	710.2305	NA	PeJP	NA	NA
+PJ020071	SSCNDW 	C28H38N8O12S	710.233	NA	PeJP	NA	NA
+PJ020072	ACCMHF 	C29H42N8O7S3	710.2339	NA	PeJP	NA	NA
+PJ020073	SSSSNDD 	C24H38N8O17	710.2355	NA	PeJP	NA	NA
+MJ091493	Albanin F; 12,13-Dihydro, 13-hydroxy 	C40H38O12	710.236326	NA	MeJP	NA	NA
+PJ020074	SNNDMM 	C25H42N8O12S2	710.2364	NA	PeJP	NA	NA
+PJ020075	SPDDDY 	C29H38N6O15	710.2395	NA	PeJP	NA	NA
+PJ020076	GDDEEF 	C29H38N6O15	710.2396	NA	PeJP	NA	NA
+PJ020077	DEMMW 	C30H42N6O10S2	710.2404	NA	PeJP	NA	NA
+MJ091494	2',4',6'-Trihydroxyacetophenone; 2'-O-(4-Hydroxyphenylacetyl), 6'-O-(4-hydroxy-3-methylbutanoyl), 4'-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H42O17	710.242199	NA	MeJP	NA	NA
+MJ091495	Catalpol; 6-O-[(4-Methoxy-Z-cinnamoyl)-(?3)-2-O-acetyl-?-L-rhamnopyranoside] 	C33H42O17	710.242199	NA	MeJP	NA	NA
+MJ091496	Catalpol; 6-O-[4-Methoxycinnamoyl-(?2)-3-O-acetyl-?-L-rhamnopyranoside] 	C33H42O17	710.242199	NA	MeJP	NA	NA
+PJ020078	SSEEEM 	C26H42N6O15S	710.2429	NA	PeJP	NA	NA
+PJ020079	SPDMMM 	C27H46N6O10S3	710.2438	NA	PeJP	NA	NA
+PJ020080	GDDMHH 	C27H38N10O11S	710.2443	NA	PeJP	NA	NA
+PJ020081	SCCNER 	C24H42N10O11S2	710.2476	NA	PeJP	NA	NA
+PJ020082	GNNDEY 	C28H38N8O14	710.2508	NA	PeJP	NA	NA
+PJ020083	GSCQMW 	C29H42N8O9S2	710.2516	NA	PeJP	NA	NA
+PJ020084	GCCDKW 	C29H42N8O9S2	710.2517	NA	PeJP	NA	NA
+PJ020085	GSSSNEM 	C25H42N8O14S	710.2541	NA	PeJP	NA	NA
+PJ020086	GGGSSSEM 	C25H42N8O14S	710.2542	NA	PeJP	NA	NA
+PJ020087	DDEFW 	C33H38N6O12	710.2548	NA	PeJP	NA	NA
+PJ020088	GNQMMM 	C26H46N8O9S3	710.255	NA	PeJP	NA	NA
+PJ020089	SCNNHH 	C26H38N12O10S	710.2555	NA	PeJP	NA	NA
+MJ091497	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 2,6,8,14-tetra-Ac 	C37H42O14	710.257456	NA	MeJP	NA	NA
+MJ091498	Antibiotic PI 080; 3-O-Deglycosyl 	C37H42O14	710.257456	NA	MeJP	NA	NA
+MJ091499	Vineomycin B2; 12-O-Deglycosyl 	C37H42O14	710.257456	NA	MeJP	NA	NA
+PJ020090	GPDEMY 	C30H42N6O12S	710.2582	NA	PeJP	NA	NA
+PJ020091	CEHHW 	C31H38N10O8S	710.2595	NA	PeJP	NA	NA
+PJ020092	ATEEMM 	C27H46N6O12S2	710.2615	NA	PeJP	NA	NA
+PJ020093	SSDEHH 	C27H38N10O13	710.262	NA	PeJP	NA	NA
+PJ020094	APMMMM 	C28H50N6O7S4	710.2624	NA	PeJP	NA	NA
+PJ020095	GSCCRW 	C28H42N10O8S2	710.2629	NA	PeJP	NA	NA
+PJ020096	GSSSCDR 	C24H42N10O13S	710.2654	NA	PeJP	NA	NA
+PJ020097	NNDYW 	C32H38N8O11	710.266	NA	PeJP	NA	NA
+PJ020098	GCNMMR 	C25H46N10O8S3	710.2663	NA	PeJP	NA	NA
+PJ020099	SSSNMW 	C29H42N8O11S	710.2694	NA	PeJP	NA	NA
+PJ020100	SSSSSQE 	C25H42N8O16	710.2719	NA	PeJP	NA	NA
+PJ020101	SSQQMM 	C26H46N8O11S2	710.2728	NA	PeJP	NA	NA
+PJ020102	PDMYW 	C34H42N6O9S	710.2734	NA	PeJP	NA	NA
+PJ020103	AAEEEY 	C30H42N6O14	710.2759	NA	PeJP	NA	NA
+PJ020104	PPTCMY 	C31H46N6O9S2	710.2768	NA	PeJP	NA	NA
+PJ020105	ACCCRR 	C24H46N12O7S3	710.2775	NA	PeJP	NA	NA
+MJ091500	Bruceolide; 15-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-?-D-glucopyranoside 	C34H46O16	710.278585	NA	MeJP	NA	NA
+MJ091501	Bruceosin; 15-Deacyl, 15-(3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside 	C34H46O16	710.278585	NA	MeJP	NA	NA
+MJ091502	Yadanzioside N 	C34H46O16	710.278585	NA	MeJP	NA	NA
+PJ020106	TTTEEM 	C27H46N6O14S	710.2793	NA	PeJP	NA	NA
+PJ020107	GLEMMM 	C28H50N6O9S3	710.2802	NA	PeJP	NA	NA
+PJ020108	GCNDFR 	C28H42N10O10S	710.2806	NA	PeJP	NA	NA
+PJ020109	GGGSPPCH 	C28H42N10O10S	710.2807	NA	PeJP	NA	NA
+PJ020110	SSCQMR 	C25H46N10O10S2	710.284	NA	PeJP	NA	NA
+PJ020111	CQQFW 	C33H42N8O8S	710.2846	NA	PeJP	NA	NA
+PJ020112	NNMFW 	C33H42N8O8S	710.2847	NA	PeJP	NA	NA
+PJ020113	ASSSSSW 	C29H42N8O13	710.2871	NA	PeJP	NA	NA
+PJ020114	GSSSSTW 	C29H42N8O13	710.2872	NA	PeJP	NA	NA
+PJ020115	GSCKMW 	C30H46N8O8S2	710.288	NA	PeJP	NA	NA
+PJ020116	GSSSDKM 	C26H46N8O13S	710.2905	NA	PeJP	NA	NA
+PJ020117	VDEYW 	C34H42N6O11	710.2912	NA	PeJP	NA	NA
+PJ020118	GNKMMM 	C27H50N8O8S3	710.2914	NA	PeJP	NA	NA
+PJ020119	PMMFW 	C35H46N6O6S2	710.2921	NA	PeJP	NA	NA
+MJ091503	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,9-Dibenzoyl, 14-(2-methylbutanoyl), 6,8-di-Ac 	C38H46O13	710.293841	NA	MeJP	NA	NA
+PJ020120	APTEMY 	C31H46N6O11S	710.2946	NA	PeJP	NA	NA
+PJ020121	SSCCRR 	C24H46N12O9S2	710.2952	NA	PeJP	NA	NA
+PJ020122	LMMMW 	C32H50N6O6S3	710.2954	NA	PeJP	NA	NA
+PJ020123	TMHHW 	C32H42N10O7S	710.2959	NA	PeJP	NA	NA
+PJ020124	STLEMM 	C28H50N6O11S2	710.2979	NA	PeJP	NA	NA
+PJ020125	GSNDRY 	C28H42N10O12	710.2984	NA	PeJP	NA	NA
+PJ020126	GVMMHH 	C29H46N10O7S2	710.2993	NA	PeJP	NA	NA
+PJ020127	GSHHHH 	C29H38N14O8	710.2997	NA	PeJP	NA	NA
+MJ091504	6,9-Dihydroxy-4,7-megastigmadien-3-one, 9-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C31H50O18	710.299714	NA	MeJP	NA	NA
+PJ020128	GSSSSMR 	C25H46N10O12S	710.3018	NA	PeJP	NA	NA
+PJ020129	SQQYW 	C33H42N8O10	710.3024	NA	PeJP	NA	NA
+PJ020130	ACCKMR 	C26H50N10O7S3	710.3026	NA	PeJP	NA	NA
+PJ020131	SSTCKW 	C30H46N8O10S	710.3058	NA	PeJP	NA	NA
+PJ020132	PDFFW 	C38H42N6O8	710.3064	NA	PeJP	NA	NA
+PJ020133	SSSSSKE 	C26H46N8O15	710.3083	NA	PeJP	NA	NA
+MJ091505	3,3',4,4',9,9'-Hexahydroxylignan, 3,3',4,4'-Tetra-Me ether, 9,9'-bis(p-methoxycinnamoyl) 	C42H46O10	710.309097	NA	MeJP	NA	NA
+PJ020134	SSQKMM 	C27H50N8O10S2	710.3091	NA	PeJP	NA	NA
+PJ020135	GGSTKMM 	C27H50N8O10S2	710.3092	NA	PeJP	NA	NA
+PJ020136	GNQQQH 	C27H42N12O11	710.3096	NA	PeJP	NA	NA
+PJ020137	GGGGGGVNH 	C27H42N12O11	710.3097	NA	PeJP	NA	NA
+MJ091506	Amogastrin 	C35H46N6O8S	710.309783	NA	MeJP	NA	NA
+PJ020138	VEMFW 	C35H46N6O8S	710.3098	NA	PeJP	NA	NA
+PJ020139	MMHHR 	C28H46N12O6S2	710.3105	NA	PeJP	NA	NA
+PJ020140	GTLEEY 	C31H46N6O13	710.3123	NA	PeJP	NA	NA
+PJ020141	GPLMMY 	C32H50N6O8S2	710.3132	NA	PeJP	NA	NA
+PJ020142	ASPNHW 	C32H42N10O9	710.3136	NA	PeJP	NA	NA
+PJ020143	GSPQHW 	C32H42N10O9	710.3137	NA	PeJP	NA	NA
+MJ091507	11-Hydroxy-13-oxo-16-atisen-19-oic acid, [?-L-Arabinopyranosyl(1?4)-(2,3-diacetyl-?-D-glucopyranosyl)] ester 	C35H50O15	710.31497	NA	MeJP	NA	NA
+PJ020144	SVLMMM 	C29H54N6O8S3	710.3165	NA	PeJP	NA	NA
+PJ020145	VVTMMM 	C29H54N6O8S3	710.3166	NA	PeJP	NA	NA
+PJ020146	NQMRY 	C29H46N10O9S	710.317	NA	PeJP	NA	NA
+PJ020147	NHFFF 	C37H42N8O7	710.3177	NA	PeJP	NA	NA
+PJ020148	SSSSSTR 	C25H46N10O14	710.3195	NA	PeJP	NA	NA
+MJ091508	Thalifabine 	C41H46N2O9	710.320331	NA	MeJP	NA	NA
+PJ020149	SSCKMR 	C26H50N10O9S2	710.3204	NA	PeJP	NA	NA
+PJ020150	GNNNHR 	C26H42N14O10	710.3209	NA	PeJP	NA	NA
+PJ020151	CQKFW 	C34H46N8O7S	710.321	NA	PeJP	NA	NA
+PJ020152	GACKFW 	C34H46N8O7S	710.3211	NA	PeJP	NA	NA
+PJ020153	GSQKEY 	C30H46N8O12	710.3235	NA	PeJP	NA	NA
+PJ020154	GGGTKEY 	C30H46N8O12	710.3236	NA	PeJP	NA	NA
+PJ020155	PPVMMH 	C31H50N8O7S2	710.3244	NA	PeJP	NA	NA
+PJ020156	DHHFR 	C31H42N12O8	710.3249	NA	PeJP	NA	NA
+PJ020157	GSSTTKM 	C27H50N8O12S	710.3269	NA	PeJP	NA	NA
+PJ020158	TLEYW 	C35H46N6O10	710.3276	NA	PeJP	NA	NA
+PJ020159	ACKKMM 	C28H54N8O7S3	710.3278	NA	PeJP	NA	NA
+PJ020160	CNRRY 	C28H46N12O8S	710.3283	NA	PeJP	NA	NA
+PJ020161	GVLEMY 	C32H50N6O10S	710.3309	NA	PeJP	NA	NA
+PJ020162	GSTQRY 	C29H46N10O11	710.3348	NA	PeJP	NA	NA
+MJ091509	4(15)-Eudesmene-2,3,11-triol, 2-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranoside], 11-O-?-D-glucopyranoside 	C32H54O17	710.3361	NA	MeJP	NA	NA
+PJ020163	SQKYW 	C34H46N8O9	710.3388	NA	PeJP	NA	NA
+MJ091510	Glaudelsine; 16-O-De-Me, O6-Me, 16-Ac 	C38H50N2O11	710.34146	NA	MeJP	NA	NA
+MJ091511	Nudicauline 	C38H50N2O11	710.34146	NA	MeJP	NA	NA
+C08702	Nudicauline	C38H50N2O11	710.3415	NA	KEGG	NA	NA
+PJ020164	LEMRY 	C31H50N8O9S	710.3422	NA	PeJP	NA	NA
+PJ020165	PVFYW 	C39H46N6O7	710.3428	NA	PeJP	NA	NA
+PJ020166	SSSTTTK 	C27H50N8O14	710.3447	NA	PeJP	NA	NA
+MJ091512	Pycnocomolide; 3'',4''-Dimethoxy 	C43H50O9	710.345483	NA	MeJP	NA	NA
+PJ020167	SSKKMM 	C28H54N8O9S2	710.3455	NA	PeJP	NA	NA
+PJ020168	AAQEHR 	C28H46N12O10	710.346	NA	PeJP	NA	NA
+PJ020169	VLMYW 	C36H50N6O7S	710.3462	NA	PeJP	NA	NA
+PJ020170	SSLLEY 	C32H50N6O12	710.3487	NA	PeJP	NA	NA
+PJ020171	GLLMMF 	C33H54N6O7S2	710.3496	NA	PeJP	NA	NA
+PJ020172	GSPKHW 	C33H46N10O8	710.35	NA	PeJP	NA	NA
+PJ020173	GGAALHW 	C33H46N10O8	710.3501	NA	PeJP	NA	NA
+MJ091513	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H54O14	710.351356	NA	MeJP	NA	NA
+MJ091514	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C36H54O14	710.351356	NA	MeJP	NA	NA
+MJ091515	Gitaloxigenin; 3-O-[?-D-Glucopyranosyl-(1?4)-D-digitoxoside] 	C36H54O14	710.351356	NA	MeJP	NA	NA
+MJ091516	Tanghinigenin; 17-Epimer, 3-O-[?-D-glucopyranosyl(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C36H54O14	710.351356	NA	MeJP	NA	NA
+C16820	k-Strophanthin-beta	C36H54O14	710.3514	NA	KEGG	NA	NA
+C17526	Boivinide A	C36H54O14	710.3514	NA	KEGG	NA	NA
+PJ020174	NKMRY 	C30H50N10O8S	710.3534	NA	PeJP	NA	NA
+MJ091517	Hebridamine 	C42H50N2O8	710.356716	NA	MeJP	NA	NA
+PJ020175	NEHRR 	C27H46N14O9	710.3573	NA	PeJP	NA	NA
+PJ020176	CKKFW 	C35H50N8O6S	710.3574	NA	PeJP	NA	NA
+PJ020177	GSKKEY 	C31H50N8O11	710.3599	NA	PeJP	NA	NA
+PJ020178	GGAAPPLE 	C31H50N8O11	710.36	NA	PeJP	NA	NA
+PJ020179	VNHRW 	C32H46N12O7	710.3613	NA	PeJP	NA	NA
+3491	ACE inhibitor from sake lees	IYPRY	710.363	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ020180	APVVYY 	C36H50N6O9	710.3639	NA	PeJP	NA	NA
+PJ020181	GPVLYY 	C36H50N6O9	710.364	NA	PeJP	NA	NA
+PJ020182	APCKHR 	C29H50N12O7S	710.3647	NA	PeJP	NA	NA
+PJ020183	ATLLMY 	C33H54N6O9S	710.3673	NA	PeJP	NA	NA
+PJ020184	GSTKRY 	C30H50N10O10	710.3712	NA	PeJP	NA	NA
+PJ020185	GHRRW 	C31H46N14O6	710.3725	NA	PeJP	NA	NA
+PJ020186	SKKYW 	C35H50N8O8	710.3752	NA	PeJP	NA	NA
+PJ020187	AAKKMY 	C32H54N8O8S	710.3786	NA	PeJP	NA	NA
+PJ020188	VLFFW 	C40H50N6O6	710.3792	NA	PeJP	NA	NA
+PJ020189	GPPERR 	C29H50N12O9	710.3824	NA	PeJP	NA	NA
+PJ020190	TTTLLY 	C33H54N6O11	710.3851	NA	PeJP	NA	NA
+PJ020191	GPPVRW 	C34H50N10O7	710.3864	NA	PeJP	NA	NA
+MJ091518	2,3,16,23-Tetrahydroxy-12-oleanene-24,28-dioic acid, 2-Me ether, 3-O-?-D-glucopyranoside 	C37H58O13	710.387741	NA	MeJP	NA	NA
+MJ091519	3-Hydroxychol-5-en-24-oic acid, 3-O-(?-L-Rhamnopyranosyl-?-D-glucuronopyranoside), Me ester 	C37H58O13	710.387741	NA	MeJP	NA	NA
+PJ020192	APKKMH 	C31H54N10O7S	710.3898	NA	PeJP	NA	NA
+PJ020193	DKHRR 	C28H50N14O8	710.3936	NA	PeJP	NA	NA
+PJ020194	ATTKKY 	C32H54N8O10	710.3963	NA	PeJP	NA	NA
+PJ020195	PPRRW 	C33H50N12O6	710.3977	NA	PeJP	NA	NA
+PJ020196	GVLLFY 	C37H54N6O8	710.4003	NA	PeJP	NA	NA
+MJ091520	Melianin A; 24?-Hydroxy 	C41H58O10	710.402998	NA	MeJP	NA	NA
+MJ091521	10,10'-Bis(N-acetyl-11,12-dihydroxyaspidospermidine) 	C42H54N4O6	710.404335	NA	MeJP	NA	NA
+PJ020197	SHRRR 	C27H50N16O7	710.4049	NA	PeJP	NA	NA
+PJ020198	SVLQKH 	C31H54N10O9	710.4075	NA	PeJP	NA	NA
+PJ020199	PPVDKR 	C31H54N10O9	710.4076	NA	PeJP	NA	NA
+MJ091522	Antibiotic L 156373, 1-(N-Hydroxy-L-leucine), 6-L-valine analogue 	C36H54N8O7	710.411546	NA	MeJP	NA	NA
+PJ020200	APPLKW 	C36H54N8O7	710.4116	NA	PeJP	NA	NA
+PJ020201	VVLLMH 	C33H58N8O7S	710.415	NA	PeJP	NA	NA
+PJ020202	SPPVRR 	C30H54N12O8	710.4188	NA	PeJP	NA	NA
+PJ020203	LKKHW 	C35H54N10O6	710.4228	NA	PeJP	NA	NA
+MJ091523	16,23-Epoxycycloartane-1,3,15,16,24,25-hexol, 25-Me ether, 3-O-?-D-xylopyranoside, 24-Ac 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091524	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-galactopyranoside 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091525	16,23-Epoxycycloartane-3,7,15,16,24,25-hexol, 25-Me ether, 3-O-?-D-xylopyranoside, 24-Ac 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091526	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 23,24-Dihydro, 25-Ac, 2-O-?-D-glucopyranoside 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091527	3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one, 25-Ac, 3-O-?-D-glucopyranoside 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091528	Spirostan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside] 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091529	Spirostan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091530	Spirostan-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091531	Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C38H62O12	710.424127	NA	MeJP	NA	NA
+MJ091532	Evolidine 	C33H58N8O9	710.432675	NA	MeJP	NA	NA
+PJ020204	PPLKKE 	C33H58N8O9	710.4327	NA	PeJP	NA	NA
+PJ020205	PPTLKR 	C32H58N10O8	710.4439	NA	PeJP	NA	NA
+PJ020206	GGPVLLR 	C32H58N10O8	710.444	NA	PeJP	NA	NA
+PJ020207	GPLLRR 	C31H58N12O7	710.4552	NA	PeJP	NA	NA
+MJ091533	Abierixin; ?3-Isomer, O-de-Me 	C39H66O11	710.460512	NA	MeJP	NA	NA
+PJ020208	PLLLQK 	C34H62N8O8	710.4691	NA	PeJP	NA	NA
+PJ020209	PVVLKR 	C33H62N10O7	710.4803	NA	PeJP	NA	NA
+MJ091534	[[4-[[2-[[Bis(cyclohexylamino)methylene]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]phenyl]methyl]tributylphosphonium(1+) 	C45H68N4OP(+)	710.505249	NA	MeJP	NA	NA
+PJ020210	PLLLKK 	C35H66N8O7	710.5055	NA	PeJP	NA	NA
+EUR1086	SM(d18:1/18:3) [M-H-CH3]-	C41H77N2O6P	710.536276	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1086	SM(d18:1/18:3) [M-H-CH3]-	C41H77N2O6P	710.536276	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1086	SM(d18:1/18:3) [M-H-CH3]-	C41H77N2O6P	710.536276	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1086	SM(d18:1/18:3) [M-H-CH3]-	C41H77N2O6P	710.536276	masses lipides attendues	Inhousejuil11	NA	NA
+MJ091535	Iristectorene A; Deacyl, 3-O-(11Z-hexadecenoyl) 	C46H78O5	710.584925	NA	MeJP	NA	NA
+MJ091536	Iomorinic acid 	C17H20I3N3O4	710.858786	NA	MeJP	NA	NA
+7000	synthetic peptide from alpha-gliadin	VRFPVPQLQPQN	710.88095	MH2+	Inhouse_peptide	NA	peptide
+C13722	Adenophostin B	C18H28N5O19P3	711.0591	NA	KEGG	NA	NA
+C13723	Dextran sulfate	C18H28N5O19P3	711.0591	NA	KEGG	NA	NA
+C13724	Polyvinyl sulfate	C18H28N5O19P3	711.0591	NA	KEGG	NA	NA
+MJ091537	2'-Adenylic acid; 3'-O-(6-O-Acetyl-3,4-di-O-phosphono-?-D-glucopyranoside) 	C18H28N5O19P3	711.059133	NA	MeJP	NA	NA
+FL7AACGL0040	Cyanidin 3-(4''-malonyl-2''-glucuronosylglucoside)	C30H31O20	711.14086	138886-96-1	knapsack	NA	NA
+FL7AACGL0041	Cyanidin 3-(6''-malonyl-2''-glucuronosylglucoside)	C30H31O20	711.14086	-	knapsack	NA	NA
+C16373	Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside	C30H31O20	711.1409	NA	KEGG	NA	NA
+PJ020211	GSCCCCH 	C23H37N9O9S4	711.1597	NA	PeJP	NA	NA
+PJ020212	GPCCCDD 	C24H37N7O12S3	711.1663	NA	PeJP	NA	NA
+FL7AACGL0046	Succinylcyanin	C31H35O19	711.17725	89148-78-7	knapsack	NA	NA
+FL7AADGL0018	Peonidin 3-(6'-malonylglucoside)-5-glucoside	C31H35O19	711.17725	651768-32-0	knapsack	NA	NA
+FL7AAGGL0019	Delphinidin 3,5-di(6-acetylglucoside)	C31H35O19	711.17725	133179-75-6	knapsack	NA	NA
+PJ020213	CNDDDM 	C24H37N7O14S2	711.184	NA	PeJP	NA	NA
+PJ020214	SPPCCCC 	C25H41N7O9S4	711.1849	NA	PeJP	NA	NA
+PJ020215	GSCCNND 	C23H37N9O13S2	711.1953	NA	PeJP	NA	NA
+PJ020216	GCCDEW 	C28H37N7O11S2	711.1993	NA	PeJP	NA	NA
+PJ020217	GSSCDDE 	C24H37N7O16S	711.2018	NA	PeJP	NA	NA
+PJ020218	GSPCCDM 	C25H41N7O11S3	711.2026	NA	PeJP	NA	NA
+MJ091538	Dactylocycline B 	C31H38ClN3O14	711.20423	NA	MeJP	NA	NA
+FL7AAAGL0009	Pelargonidin 3-(2G-xylosylrutinoside)	C32H39O18	711.21363	-	knapsack	NA	NA
+PJ020219	CCNNQM 	C24H41N9O10S3	711.2139	NA	PeJP	NA	NA
+PJ020220	CCDWW 	C32H37N7O8S2	711.2145	NA	PeJP	NA	NA
+PJ020221	SSCDDW 	C28H37N7O13S	711.217	NA	PeJP	NA	NA
+PJ020222	PTCCCW 	C29H41N7O8S3	711.2179	NA	PeJP	NA	NA
+PJ020223	SSSSDDD 	C24H37N7O18	711.2195	NA	PeJP	NA	NA
+PJ020224	SNDDMM 	C25H41N7O13S2	711.2204	NA	PeJP	NA	NA
+PJ020225	PCCQMM 	C26H45N7O8S4	711.2213	NA	PeJP	NA	NA
+PJ020226	CCCNNR 	C23H41N11O9S3	711.2251	NA	PeJP	NA	NA
+PJ020227	SCCDER 	C24H41N9O12S2	711.2316	NA	PeJP	NA	NA
+PJ020228	GGGGGSSCM 	C24H41N9O12S2	711.2317	NA	PeJP	NA	NA
+PJ020229	PCCCMR 	C25H45N9O7S4	711.2325	NA	PeJP	NA	NA
+PJ020230	GNDDEY 	C28H37N7O15	711.2348	NA	PeJP	NA	NA
+PJ020231	GSCEMW 	C29H41N7O10S2	711.2357	NA	PeJP	NA	NA
+PJ020232	GSSSDEM 	C25H41N7O15S	711.2382	NA	PeJP	NA	NA
+PJ020233	GNEMMM 	C26H45N7O10S3	711.239	NA	PeJP	NA	NA
+PJ020234	SCNDHH 	C26H37N11O11S	711.2395	NA	PeJP	NA	NA
+PJ020235	PNDDDH 	C27H37N9O14	711.246	NA	PeJP	NA	NA
+PJ020236	SSSSCNQ 	C24H41N9O14S	711.2494	NA	PeJP	NA	NA
+PJ020237	NDDYW 	C32H37N7O12	711.25	NA	PeJP	NA	NA
+PJ020238	GGDDYW 	C32H37N7O12	711.2501	NA	PeJP	NA	NA
+PJ020239	GCDMMR 	C25H45N9O9S3	711.2503	NA	PeJP	NA	NA
+PJ020240	SCMWW 	C33H41N7O7S2	711.2509	NA	PeJP	NA	NA
+MJ091539	1,2,3,4,6,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 6-benzoyl, 1,2,3,14-tetra-Ac 	C36H41NO14	711.252705	NA	MeJP	NA	NA
+MJ091540	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 9-benzoyl, 1,2,6,14-tetra-Ac 	C36H41NO14	711.252705	NA	MeJP	NA	NA
+MJ091541	Alangiside; 2'-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-) 	C36H41NO14	711.252705	NA	MeJP	NA	NA
+MJ091542	Alangiside; O-De-Me, O2-Me, 2'-(4-hydroxy-3,5-dimethylcinnamoyl)(E-) 	C36H41NO14	711.252705	NA	MeJP	NA	NA
+PJ020241	SSSDMW 	C29H41N7O12S	711.2534	NA	PeJP	NA	NA
+PJ020242	NMMMW 	C30H45N7O7S3	711.2543	NA	PeJP	NA	NA
+PJ020243	SSSSSEE 	C25H41N7O17	711.2559	NA	PeJP	NA	NA
+PJ020244	SSQEMM 	C26H45N7O12S2	711.2568	NA	PeJP	NA	NA
+PJ020245	TCYYY 	C34H41N5O10S	711.2574	NA	PeJP	NA	NA
+PJ020246	PCCKMM 	C27H49N7O7S4	711.2577	NA	PeJP	NA	NA
+PJ020247	GCQMHH 	C27H41N11O8S2	711.2581	NA	PeJP	NA	NA
+PJ020248	GNNNMY 	C28H41N9O11S	711.2646	NA	PeJP	NA	NA
+PJ020249	GGGNNMY 	C28H41N9O11S	711.2647	NA	PeJP	NA	NA
+PJ020250	GSSSSSSN 	C24H41N9O16	711.2671	NA	PeJP	NA	NA
+PJ020251	GGGSSSSSS 	C24H41N9O16	711.2672	NA	PeJP	NA	NA
+PJ020252	SSCEMR 	C25H45N9O11S2	711.268	NA	PeJP	NA	NA
+PJ020253	GSPCYW 	C33H41N7O9S	711.2687	NA	PeJP	NA	NA
+PJ020254	GCCHHR 	C26H41N13O7S2	711.2694	NA	PeJP	NA	NA
+PJ020255	GSQEEY 	C29H41N7O14	711.2712	NA	PeJP	NA	NA
+PJ020256	GSTMMW 	C30H45N7O9S2	711.272	NA	PeJP	NA	NA
+PJ020257	PCCDKF 	C30H45N7O9S2	711.2721	NA	PeJP	NA	NA
+PJ020258	GSSTTEM 	C26H45N7O14S	711.2745	NA	PeJP	NA	NA
+PJ020259	GDKMMM 	C27H49N7O9S3	711.2754	NA	PeJP	NA	NA
+PJ020260	SSNMHH 	C27H41N11O10S	711.2759	NA	PeJP	NA	NA
+PJ020261	GSDDRY 	C28H41N9O13	711.2824	NA	PeJP	NA	NA
+PJ020262	APCCRY 	C29H45N9O8S2	711.2833	NA	PeJP	NA	NA
+PJ020263	ACFWW 	C37H41N7O6S	711.2839	NA	PeJP	NA	NA
+PJ020264	SSSSCNK 	C25H45N9O13S	711.2858	NA	PeJP	NA	NA
+PJ020265	SQEYW 	C33H41N7O11	711.2864	NA	PeJP	NA	NA
+PJ020266	GSMMMR 	C26H49N9O8S3	711.2867	NA	PeJP	NA	NA
+PJ020267	MMHFF 	C34H45N7O6S2	711.2873	NA	PeJP	NA	NA
+MJ091543	Rifamycin R 	C37H45NO13	711.28909	NA	MeJP	NA	NA
+MJ091544	Rifamycin S; 3-Hydroxy 	C37H45NO13	711.28909	NA	MeJP	NA	NA
+PJ020268	SSTTMW 	C30H45N7O11S	711.2898	NA	PeJP	NA	NA
+PJ020269	GFYYY 	C38H41N5O9	711.2904	NA	PeJP	NA	NA
+MJ091545	Talaporfin 	C38H41N5O9	711.290427	NA	MeJP	NA	NA
+PJ020270	SSSTTTE 	C26H45N7O16	711.2923	NA	PeJP	NA	NA
+PJ020271	SSKEMM 	C27H49N7O11S2	711.2932	NA	PeJP	NA	NA
+PJ020272	GSSSTHH 	C27H41N11O12	711.2936	NA	PeJP	NA	NA
+PJ020273	GGGQQEH 	C27H41N11O12	711.2937	NA	PeJP	NA	NA
+PJ020274	PPCCHR 	C28H45N11O7S2	711.2945	NA	PeJP	NA	NA
+MJ091546	Pacidamycin D 	C32H41N9O10	711.297638	NA	MeJP	NA	NA
+PJ020275	GSPEHW 	C32H41N9O10	711.2977	NA	PeJP	NA	NA
+PJ020276	NEMRY 	C29H45N9O10S	711.301	NA	PeJP	NA	NA
+PJ020277	GGGGACKY 	C29H45N9O10S	711.3011	NA	PeJP	NA	NA
+PJ020278	GTYWW 	C37H41N7O8	711.3017	NA	PeJP	NA	NA
+PJ020279	SSTMMR 	C26H49N9O10S2	711.3044	NA	PeJP	NA	NA
+PJ020280	GNNDHR 	C26H41N13O11	711.3049	NA	PeJP	NA	NA
+PJ020281	VNMYW 	C34H45N7O8S	711.305	NA	PeJP	NA	NA
+PJ020282	GGVMYW 	C34H45N7O8S	711.3051	NA	PeJP	NA	NA
+PJ020283	ATTQEY 	C30H45N7O13	711.3075	NA	PeJP	NA	NA
+PJ020284	GSKEEY 	C30H45N7O13	711.3076	NA	PeJP	NA	NA
+PJ020285	APCKMY 	C31H49N7O8S2	711.3084	NA	PeJP	NA	NA
+PJ020286	NQQHW 	C31H41N11O9	711.3089	NA	PeJP	NA	NA
+PJ020287	SSSSTLM 	C27H49N7O13S	711.3109	NA	PeJP	NA	NA
+PJ020288	ATKMMM 	C28H53N7O8S3	711.3118	NA	PeJP	NA	NA
+PJ020289	CDRRY 	C28H45N11O9S	711.3123	NA	PeJP	NA	NA
+PJ020290	SPHWW 	C36H41N9O7	711.3129	NA	PeJP	NA	NA
+PJ020291	GMRYW 	C33H45N9O7S	711.3163	NA	PeJP	NA	NA
+PJ020292	GSTERY 	C29H45N9O12	711.3188	NA	PeJP	NA	NA
+PJ020293	QMMFR 	C30H49N9O7S2	711.3197	NA	PeJP	NA	NA
+PJ020294	GPQHHH 	C30H41N13O8	711.3201	NA	PeJP	NA	NA
+PJ020295	GGAPHHH 	C30H41N13O8	711.3202	NA	PeJP	NA	NA
+PJ020296	SKEYW 	C34H45N7O10	711.3228	NA	PeJP	NA	NA
+PJ020297	CCCKKK 	C27H53N9O7S3	711.323	NA	PeJP	NA	NA
+PJ020298	AAKEMY 	C31H49N7O10S	711.3262	NA	PeJP	NA	NA
+PJ020299	STTTTTT 	C27H49N7O15	711.3287	NA	PeJP	NA	NA
+PJ020300	TTTKMM 	C28H53N7O10S2	711.3296	NA	PeJP	NA	NA
+PJ020301	AAEEHR 	C28H45N11O11	711.33	NA	PeJP	NA	NA
+PJ020302	GGGGPPDR 	C28H45N11O11	711.3301	NA	PeJP	NA	NA
+C08089	Indinavir sulfate	C36H47N5O4	711.3302	NA	KEGG	NA	NA
+PJ020303	CMFRR 	C29H49N11O6S2	711.3309	NA	PeJP	NA	NA
+PJ020304	STRYW 	C33H45N9O9	711.334	NA	PeJP	NA	NA
+PJ020305	GALEHW 	C33H45N9O9	711.3341	NA	PeJP	NA	NA
+PJ020306	DKMRY 	C30H49N9O9S	711.3374	NA	PeJP	NA	NA
+7006	synthetic peptide from alpha-gliadin	FPPQQPYPQPQP	711.3375	MH2+	Inhouse_peptide	NA	peptide
+MJ091547	Scleramide 	C38H45N7O7	711.338046	NA	MeJP	NA	NA
+PJ020307	VNFFW 	C38H45N7O7	711.3381	NA	PeJP	NA	NA
+PJ020308	DEHRR 	C27H45N13O10	711.3413	NA	PeJP	NA	NA
+PJ020309	CLKYW 	C35H49N7O7S	711.3414	NA	PeJP	NA	NA
+PJ020310	PPPCLW 	C35H49N7O7S	711.3415	NA	PeJP	NA	NA
+PJ020311	ATTKEY 	C31H49N7O12	711.3439	NA	PeJP	NA	NA
+PJ020312	GAPPLEE 	C31H49N7O12	711.344	NA	PeJP	NA	NA
+PJ020313	GVKMMF 	C32H53N7O7S2	711.3448	NA	PeJP	NA	NA
+PJ020314	VDHRW 	C32H45N11O8	711.3453	NA	PeJP	NA	NA
+MJ091548	Antibiotic PA 166 	C35H53NO14	711.346605	NA	MeJP	NA	NA
+MJ091549	Tetramycin A; 4-Hydroxy 	C35H53NO14	711.346605	NA	MeJP	NA	NA
+PJ020315	SMRRY 	C29H49N11O8S	711.3486	NA	PeJP	NA	NA
+PJ020316	APTMHR 	C29H49N11O8S	711.3487	NA	PeJP	NA	NA
+PJ020317	ALHWW 	C37H45N9O6	711.3493	NA	PeJP	NA	NA
+PJ020318	SSSLRY 	C30H49N9O11	711.3552	NA	PeJP	NA	NA
+PJ020319	KMMFR 	C31H53N9O6S2	711.3561	NA	PeJP	NA	NA
+PJ020320	GPKHHH 	C31H45N13O7	711.3565	NA	PeJP	NA	NA
+2878	opioid fragment of beta-lipotropin L-enkephalin-R	YGGFLR	711.358	antibacterial	Inhouse_peptide	NA	peptide
+PJ020321	APPLEW 	C35H49N7O9	711.3592	NA	PeJP	NA	NA
+MJ091550	4(20),11-Taxadiene-1,2,5,9,10,13-hexol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 2,9,10,13-tetra-Ac 	C39H53NO11	711.361861	NA	MeJP	NA	NA
+MJ091551	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-(3-Dimethylamino-3-phenylpropanoyl), 7,9,10,13-tetra-Ac 	C39H53NO11	711.361861	NA	MeJP	NA	NA
+MJ091552	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 9,10,13-tri-Ac 	C39H53NO11	711.361861	NA	MeJP	NA	NA
+MJ091553	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(3-Dimethylamino-2-hydroxy-3-phenylpropanoyl), 7,9,10,13-tetra-Ac 	C39H53NO11	711.361861	NA	MeJP	NA	NA
+PJ020322	GTLKMY 	C32H53N7O9S	711.3626	NA	PeJP	NA	NA
+PJ020323	GTLEHR 	C29H49N11O10	711.3664	NA	PeJP	NA	NA
+PJ020324	LKEHW 	C34H49N9O8	711.3704	NA	PeJP	NA	NA
+PJ020325	GGPVVHF 	C34H49N9O8	711.3705	NA	PeJP	NA	NA
+MJ091554	Monamycins; Monamycin G1 	C33H54ClN7O8	711.372239	NA	MeJP	NA	NA
+MJ091555	Monamycins; Monamycin G2 	C33H54ClN7O8	711.372239	NA	MeJP	NA	NA
+MJ091556	Monamycins; Monamycin G3 	C33H54ClN7O8	711.372239	NA	MeJP	NA	NA
+PJ020326	SPLKMH 	C31H53N9O8S	711.3738	NA	PeJP	NA	NA
+PJ020327	ASNKHR 	C28H49N13O9	711.3776	NA	PeJP	NA	NA
+PJ020328	GSQKHR 	C28H49N13O9	711.3777	NA	PeJP	NA	NA
+PJ020329	STTLKY 	C32H53N7O11	711.3803	NA	PeJP	NA	NA
+PJ020330	TLHRW 	C33H49N11O7	711.3817	NA	PeJP	NA	NA
+7015	synthetic peptide from alpha-gliadin	QQPISQQILQQI	711.384	MH2+	Inhouse_peptide	NA	peptide
+PJ020331	ACLLHR 	C30H53N11O7S	711.385	NA	PeJP	NA	NA
+PJ020332	GVLMHR 	C30H53N11O7S	711.3851	NA	PeJP	NA	NA
+PJ020333	PPTLER 	C31H53N9O10	711.3916	NA	PeJP	NA	NA
+PJ020334	PHFRR 	C32H49N13O6	711.3929	NA	PeJP	NA	NA
+PJ020335	SPPLLW 	C36H53N7O8	711.3956	NA	PeJP	NA	NA
+PJ020336	LMHRR 	C29H53N13O6S	711.3963	NA	PeJP	NA	NA
+PJ020337	AAPPLLM 	C33H57N7O8S	711.399	NA	PeJP	NA	NA
+PJ020338	SSLLHR 	C30H53N11O9	711.4028	NA	PeJP	NA	NA
+PJ020339	GPPKKW 	C35H53N9O7	711.4068	NA	PeJP	NA	NA
+PJ020340	PPVLMR 	C32H57N9O7S	711.4102	NA	PeJP	NA	NA
+PJ020341	GPVQRR 	C29H53N13O8	711.414	NA	PeJP	NA	NA
+PJ020342	GGGPLRR 	C29H53N13O8	711.4141	NA	PeJP	NA	NA
+PJ020343	PLLLQE 	C33H57N7O10	711.4167	NA	PeJP	NA	NA
+MJ091557	Antibiotic A 6888X; 20-Aldehyde 	C37H61NO12	711.419376	NA	MeJP	NA	NA
+MJ091558	Mycinamycin II; 14-Deoxy 	C37H61NO12	711.419376	NA	MeJP	NA	NA
+MJ091559	Mycinamycin VI; 14?-Hydroxy, 2'',3''-di-Me ether 	C37H61NO12	711.419376	NA	MeJP	NA	NA
+PJ020344	PQRRR 	C28H53N15O7	711.4253	NA	PeJP	NA	NA
+PJ020345	PVVLER 	C32H57N9O9	711.428	NA	PeJP	NA	NA
+PJ020346	APLLLW 	C37H57N7O7	711.432	NA	PeJP	NA	NA
+MJ091560	Lipid X 	C34H66NO12P	711.432263	NA	MeJP	NA	NA
+MJ091561	2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate 	C34H66NO12P	711.432263	NA	MeJP	NA	NA
+MetaCyc04069	2,3-bis(3-hydroxymyristoyl)-&beta;-D-glucosaminyl 1-phosphate [2,3-diacyl-glucosamine 1-phosphate;2,3-bis(3-hydroxytetradecanoyl)-&beta;-D-glucosaminyl 1-phosphate;2,3-bis(&beta;-hydroxymyristoyl)-&beta;-D-glucosaminyl 1-phosphate;lipid X;]	C34H66N1O12P1	711.432263	NA	metacyc	NA	NA
+MetaCyc04070	3-hydroxyacyl group of bacterial toxin []	C34H66N1O12P1	711.432263	NA	metacyc	NA	NA
+C04824	2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate	C34H66NO12P	711.4323	NA	KEGG	NA	NA
+C04825	3-beta-D-Galactosyl-4-beta-D-galactosyl-O-beta-D-xylosylprotein	C21H34N2O17R2	711.4323	NA	KEGG	NA	NA
+C04827	Apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]	C7H13N3O2R2	711.4323	NA	KEGG	NA	NA
+C04829	Deacetyl-[citrate-oxaloacetate-lyase((pro-3S)-CH2COO-->acetate)]	C7H13N3O2R2	711.4323	NA	KEGG	NA	NA
+3895	temporin H	LSPVIGNLLKSLLG	711.43345	MH2+	Inhouse_peptide	NA	peptide
+3897	temporin K	LLPVIGNLLKSSLG	711.43345	MH2+	Inhouse_peptide	NA	peptide
+PJ020347	SPPKKR 	C31H57N11O8	711.4392	NA	PeJP	NA	NA
+PJ020348	GPVKRR 	C30H57N13O7	711.4504	NA	PeJP	NA	NA
+PJ020349	PLLLKE 	C34H61N7O9	711.4531	NA	PeJP	NA	NA
+MJ091562	Antibiotic YT 3927; 20-Deoxo 	C38H65NO11	711.455761	NA	MeJP	NA	NA
+PJ020350	PKRRR 	C29H57N15O6	711.4617	NA	PeJP	NA	NA
+PJ020351	PTLLLR 	C33H61N9O8	711.4643	NA	PeJP	NA	NA
+PJ020352	GGPLLKK 	C33H61N9O8	711.4644	NA	PeJP	NA	NA
+MJ091563	Spirolide E; 2,3-Dihydro 	C42H65NO8	711.471018	NA	MeJP	NA	NA
+PJ020353	APLKKR 	C32H61N11O7	711.4756	NA	PeJP	NA	NA
+HMDB08838	PE(14:0/20:4(5Z,8Z,11Z,14Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB08839	PE(14:0/20:4(8Z,11Z,14Z,17Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB08869	PE(14:1(9Z)/20:3(5Z,8Z,11Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB08870	PE(14:1(9Z)/20:3(8Z,11Z,14Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB08931	PE(16:0/18:4(6Z,9Z,12Z,15Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB08962	PE(16:1(9Z)/18:3(6Z,9Z,12Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB08963	PE(16:1(9Z)/18:3(9Z,12Z,15Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09122	PE(18:3(6Z,9Z,12Z)/16:1(9Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09155	PE(18:3(9Z,12Z,15Z)/16:1(9Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09187	PE(18:4(6Z,9Z,12Z,15Z)/16:0)	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09317	PE(20:3(5Z,8Z,11Z)/14:1(9Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09350	PE(20:3(8Z,11Z,14Z)/14:1(9Z))	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09382	PE(20:4(5Z,8Z,11Z,14Z)/14:0)	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+HMDB09415	PE(20:4(8Z,11Z,14Z,17Z)/14:0)	C39H70NO8P	711.483887	NA	HMDB2010	NA	NA
+PJ020354	LLLLLQ 	C35H65N7O8	711.4895	NA	PeJP	NA	NA
+PJ020355	VVLLLR 	C34H65N9O7	711.5007	NA	PeJP	NA	NA
+PJ020356	LLLLLK 	C36H69N7O7	711.5259	NA	PeJP	NA	NA
+EUR1060	SM(d18:1/15:0) [M+Na]+	C38H78N2O6P	711.541697	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1060	SM(d18:1/15:0) [M+Na]+	C38H78N2O6P	711.541697	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1060	SM(d18:1/15:0) [M+Na]+	C38H78N2O6P	711.541697	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1060	SM(d18:1/15:0) [M+Na]+	C38H78N2O6P	711.541697	masses lipides attendues	Inhousejuil11	NA	NA
+MJ091564	2-Amino-9-methyl-4,8-octadecadiene-1,3-diol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside 	C41H77NO8	711.564918	NA	MeJP	NA	NA
+MJ091565	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxyhexacosanoyl) 	C44H89NO5	711.674074	NA	MeJP	NA	NA
+MJ091566	Cadiolide A 	C24H12Br4O6	711.736738	NA	MeJP	NA	NA
+MJ091567	Melinacidin III 	C30H28N6O7S4	712.09023	NA	MeJP	NA	NA
+MJ091568	Verticillin B 	C30H28N6O7S4	712.09023	NA	MeJP	NA	NA
+MJ091569	3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone; 2'',6''-Di-O-galloyl 	C33H28O18	712.127564	NA	MeJP	NA	NA
+FL5FACGS0111	Quercetin 3-(6''-malonylglucoside)-7-glucoside;3-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C30H32O20	712.14869	194093-39-5	knapsack	NA	NA
+MJ091570	Isoquercitrin; O''-Malonyl, 4'-O-?-D-glucopyranoside 	C30H32O20	712.148693	NA	MeJP	NA	NA
+MJ091571	Quercimeritrin; 3-O-(6-O-Malonyl-?-D-glucopyranoside) 	C30H32O20	712.148693	NA	MeJP	NA	NA
+MJ091572	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C30H33O20(+)	712.148693	NA	MeJP	NA	NA
+PJ020357	CDDDDM 	C24H36N6O15S2	712.168	NA	PeJP	NA	NA
+PJ020358	GSCCNDD 	C23H36N8O14S2	712.1793	NA	PeJP	NA	NA
+PJ020359	GPCCCCQ 	C24H40N8O9S4	712.1801	NA	PeJP	NA	NA
+PJ020360	GGAPCCCC 	C24H40N8O9S4	712.1802	NA	PeJP	NA	NA
+FL5FAAGL0020	Primflasine	C31H36O19	712.18507	36138-74-6	knapsack	NA	NA
+FL5FAIGA0002	Syringetin 3-(6'''-acetylglucosyl)(1->3)-galactoside;Myricetin 3',5'-dimethyl ether 3-(6''-acetylglucosyl)-(1->3)-galactoside;3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one	C31H36O19	712.18507	139955-74-1	knapsack	NA	NA
+FL5FAIGA0004	Syringetin 3-(,6'''-acetylglucosyl)(1->6)-galactoside	C31H36O19	712.18507	-	knapsack	NA	NA
+MJ091573	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C31H36O19	712.185078	NA	MeJP	NA	NA
+MJ091574	3,4',5,7-Tetrahydroxyflavone; 3-O-(Xylosylglucoside), 7-O-xyloside 	C31H36O19	712.185078	NA	MeJP	NA	NA
+MJ091575	Blepharismins; Blepharismin 5 	C42H32O11	712.194461	NA	MeJP	NA	NA
+MJ091576	Gnetuhainin M 	C42H32O11	712.194461	NA	MeJP	NA	NA
+C08541	Bougainvillein-r-I	C30H36N2O18	712.1963	NA	KEGG	NA	NA
+MJ091577	Betanidin; 15-Epimer, 5-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H36N2O18	712.196312	NA	MeJP	NA	NA
+MJ091578	Betanidin; 5-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H36N2O18	712.196312	NA	MeJP	NA	NA
+MJ091579	Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H36N2O18	712.196312	NA	MeJP	NA	NA
+PJ020361	CCNNEM 	C24H40N8O11S3	712.1979	NA	PeJP	NA	NA
+PJ020362	SDDDMM 	C25H40N6O14S2	712.2044	NA	PeJP	NA	NA
+PJ020363	PCCEMM 	C26H44N6O9S4	712.2053	NA	PeJP	NA	NA
+PJ020364	CCCNDR 	C23H40N10O10S3	712.2091	NA	PeJP	NA	NA
+PJ020365	GCCNMW 	C28H40N8O8S3	712.2132	NA	PeJP	NA	NA
+PJ020366	GSSCCQE 	C24H40N8O13S2	712.2156	NA	PeJP	NA	NA
+PJ020367	GSSCNDM 	C24H40N8O13S2	712.2157	NA	PeJP	NA	NA
+PJ020368	GPCCCCK 	C25H44N8O8S4	712.2165	NA	PeJP	NA	NA
+PJ020369	GDDDEY 	C28H36N6O16	712.2188	NA	PeJP	NA	NA
+PJ020370	PCCDEF 	C29H40N6O11S2	712.2197	NA	PeJP	NA	NA
+FL1C1AGS0008	Isoliquiritigenin 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside;4,2',4'-Trihydroxychalcone 4'-O-glucoside 4-O-apiofuranosyl-(1'''->2''')-glucoside	C32H40O18	712.22146	217483-71-1	knapsack	NA	NA
+FL2F1AGS0007	Liquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside;7,4'-Dihydroxyflavanone 7-glucoside-4'-apiosyl-(1->2)-glucoside	C32H40O18	712.22146	157226-47-6	knapsack	NA	NA
+MJ091580	2',4,4'-Trihydroxychalcone; 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C32H40O18	712.221464	NA	MeJP	NA	NA
+MJ091581	4',7-Dihydroxyflavanone, 4'-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C32H40O18	712.221464	NA	MeJP	NA	NA
+MJ091582	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Ph glycoside, hepta-Ac 	C32H40O18	712.221464	NA	MeJP	NA	NA
+MJ091583	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside; 3',4-Dibenzoyl 	C32H40O18	712.221464	NA	MeJP	NA	NA
+PJ020371	GDEMMM 	C26H44N6O11S3	712.223	NA	PeJP	NA	NA
+PJ020372	VCDDMM 	C26H44N6O11S3	712.2231	NA	PeJP	NA	NA
+PJ020373	SCDDHH 	C26H36N10O12S	712.2235	NA	PeJP	NA	NA
+PJ020374	PDDDDH 	C27H36N8O15	712.2301	NA	PeJP	NA	NA
+PJ020375	SSCCQW 	C28H40N8O10S2	712.2309	NA	PeJP	NA	NA
+PJ020376	SSSSCNE 	C24H40N8O15S	712.2334	NA	PeJP	NA	NA
+PJ020377	DDDYW 	C32H36N6O13	712.2341	NA	PeJP	NA	NA
+PJ020378	SCNQMM 	C25H44N8O10S3	712.2343	NA	PeJP	NA	NA
+PJ020379	SPCDEY 	C29H40N6O13S	712.2374	NA	PeJP	NA	NA
+PJ020380	DMMMW 	C30H44N6O8S3	712.2383	NA	PeJP	NA	NA
+PJ020381	SSEEMM 	C26H44N6O13S2	712.2408	NA	PeJP	NA	NA
+PJ020382	PTCMMM 	C27H48N6O8S4	712.2417	NA	PeJP	NA	NA
+PJ020383	ACDMHH 	C27H40N10O9S2	712.2421	NA	PeJP	NA	NA
+PJ020384	GCEMHH 	C27H40N10O9S2	712.2422	NA	PeJP	NA	NA
+PJ020385	SCCNMR 	C24H44N10O9S3	712.2455	NA	PeJP	NA	NA
+PJ020386	GCCHFF 	C32H40N8O7S2	712.2462	NA	PeJP	NA	NA
+PJ020387	GSSSSCW 	C28H40N8O12S	712.2487	NA	PeJP	NA	NA
+PJ020388	ACCCKW 	C29H44N8O7S3	712.2495	NA	PeJP	NA	NA
+PJ020389	GSSSSSSD 	C24H40N8O17	712.2512	NA	PeJP	NA	NA
+MJ091584	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-(4-hydroxy-3-methoxycinnamoyl)(E-), 9-O-(4-hydroxy-3-methoxycinnamoyl)(Z-) 	C40H40O12	712.251976	NA	MeJP	NA	NA
+MJ091585	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9'-O-(4-hydroxy-3-methoxycinnamoyl)(Z-), 9-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C40H40O12	712.251976	NA	MeJP	NA	NA
+MJ091586	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 3',5-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) 	C40H40O12	712.251976	NA	MeJP	NA	NA
+MJ091587	Sanggenone G; 14,15-Dihydro, 15-hydroxy 	C40H40O12	712.251976	NA	MeJP	NA	NA
+PJ020390	GSSSNMM 	C25H44N8O12S2	712.252	NA	PeJP	NA	NA
+PJ020391	DDMFW 	C33H40N6O10S	712.2527	NA	PeJP	NA	NA
+PJ020392	GSEEEY 	C29H40N6O15	712.2552	NA	PeJP	NA	NA
+PJ020393	GPDMMY 	C30H44N6O10S2	712.2561	NA	PeJP	NA	NA
+PJ020394	CMHHW 	C31H40N10O6S2	712.2574	NA	PeJP	NA	NA
+MJ091588	2-Hydroxy-2-isopropylbutanedioic acid, Bis(4-?-D-Glucopyranosyloxybenzyl) ester 	C33H44O17	712.257849	NA	MeJP	NA	NA
+MJ091589	Medioresinol, Di-O-?-D-glucopyranoside 	C33H44O17	712.257849	NA	MeJP	NA	NA
+MJ091590	Syringaresinol, 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C33H44O17	712.257849	NA	MeJP	NA	NA
+MJ091591	Syringaresinol, 7-Epimer, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C33H44O17	712.257849	NA	MeJP	NA	NA
+PJ020395	ATEMMM 	C27H48N6O10S3	712.2594	NA	PeJP	NA	NA
+PJ020396	SSDMHH 	C27H40N10O11S	712.2599	NA	PeJP	NA	NA
+MJ091592	Ibisterol; Tri-O-sulfate 	C31H52O12S3	712.262089	NA	MeJP	NA	NA
+PJ020397	GSSTCCR 	C24H44N10O11S2	712.2633	NA	PeJP	NA	NA
+PJ020398	CNQYW 	C32H40N8O9S	712.2639	NA	PeJP	NA	NA
+PJ020399	SSNNEY 	C28H40N8O14	712.2664	NA	PeJP	NA	NA
+PJ020400	SSCCKW 	C29H44N8O9S2	712.2673	NA	PeJP	NA	NA
+PJ020401	SSSSSQM 	C25H44N8O14S	712.2698	NA	PeJP	NA	NA
+PJ020402	SEEYW 	C33H40N6O12	712.2704	NA	PeJP	NA	NA
+PJ020403	GPDDFY 	C33H40N6O12	712.2705	NA	PeJP	NA	NA
+PJ020404	SCNKMM 	C26H48N8O9S3	712.2707	NA	PeJP	NA	NA
+PJ020405	PPCCFF 	C34H44N6O7S2	712.2713	NA	PeJP	NA	NA
+C12409	124-1	C37H44O14	712.2731	NA	KEGG	NA	NA
+MJ091593	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl, 2,7,9,10-tetra-Ac 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091594	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl, 2,7,9,19-tetra-Ac 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091595	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 2-Benzoyl, 3,5,7,8,15-penta-Ac 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091596	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 7-Benzoyl, 2,3,5,8,15-penta-Ac 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091597	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 8-Benzoyl, 2,3,5,7,15-penta-Ac 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091598	Antibiotic BA 12100MY1; 6-Deoxy, 5-hydroxy, 3'-O-[2,6-dideoxy-?-L-arabino-hexopyranosyl-(1?4)-2,3,6-trideoxy-?-D-threo-hexopyranosyl] 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091599	Antibiotic PI 080; 3-O-Deglycosyl, 2c,3c-dihydro 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091600	Landomycin A; 4C-Deglycosyl 	C37H44O14	712.273106	NA	MeJP	NA	NA
+MJ091601	Leptolepisol E 	C37H44O14	712.273106	NA	MeJP	NA	NA
+PJ020406	AAEEMY 	C30H44N6O12S	712.2738	NA	PeJP	NA	NA
+PJ020407	GPMMMF 	C31H48N6O7S3	712.2747	NA	PeJP	NA	NA
+PJ020408	GPCNHW 	C31H40N10O8S	712.2752	NA	PeJP	NA	NA
+PJ020409	TTTEMM 	C27H48N6O12S2	712.2772	NA	PeJP	NA	NA
+PJ020410	GNQEEH 	C27H40N10O13	712.2777	NA	PeJP	NA	NA
+PJ020411	GLMMMM 	C28H52N6O7S4	712.2781	NA	PeJP	NA	NA
+PJ020412	GCCQFR 	C28H44N10O8S2	712.2785	NA	PeJP	NA	NA
+PJ020413	SSSSSCR 	C24H44N10O13S	712.281	NA	PeJP	NA	NA
+PJ020414	GSSNYW 	C32H40N8O11	712.2817	NA	PeJP	NA	NA
+PJ020415	TCCCKR 	C25H48N10O8S3	712.2819	NA	PeJP	NA	NA
+PJ020416	GSQQMY 	C29H44N8O11S	712.285	NA	PeJP	NA	NA
+PJ020417	DEMRY 	C29H44N8O11S	712.2851	NA	PeJP	NA	NA
+PJ020418	GSSSSSTT 	C25H44N8O16	712.2875	NA	PeJP	NA	NA
+PJ020419	GSSTCKM 	C26H48N8O11S2	712.2884	NA	PeJP	NA	NA
+PJ020420	GNDDHR 	C26H40N12O12	712.2889	NA	PeJP	NA	NA
+PJ020421	VDMYW 	C34H44N6O9S	712.2891	NA	PeJP	NA	NA
+PJ020422	ATTEEY 	C30H44N6O14	712.2916	NA	PeJP	NA	NA
+PJ020423	APTMMY 	C31H48N6O9S2	712.2924	NA	PeJP	NA	NA
+PJ020424	GVEMMF 	C31H48N6O9S2	712.2925	NA	PeJP	NA	NA
+PJ020425	NQEHW 	C31H40N10O10	712.2929	NA	PeJP	NA	NA
+MJ091602	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4,4'-di-O-?-L-rhamnopyranoside 	C34H48O16	712.294235	NA	MeJP	NA	NA
+PJ020426	STLMMM 	C28H52N6O9S3	712.2958	NA	PeJP	NA	NA
+PJ020427	GSCQRY 	C28H44N10O10S	712.2963	NA	PeJP	NA	NA
+MJ091603	Talcamine 	C40H44N2O10	712.299595	NA	MeJP	NA	NA
+PJ020428	CNKYW 	C33H44N8O8S	712.3003	NA	PeJP	NA	NA
+PJ020429	SSNDKY 	C29H44N8O13	712.3028	NA	PeJP	NA	NA
+PJ020430	EMMFR 	C30H48N8O8S2	712.3037	NA	PeJP	NA	NA
+PJ020431	GPEHHH 	C30H40N12O9	712.3042	NA	PeJP	NA	NA
+PJ020432	SSSSSKM 	C26H48N8O13S	712.3062	NA	PeJP	NA	NA
+PJ020433	AAPEYY 	C34H44N6O11	712.3068	NA	PeJP	NA	NA
+PJ020434	TCCKKM 	C27H52N8O8S3	712.3071	NA	PeJP	NA	NA
+PJ020435	SPCNHR 	C27H44N12O9S	712.3075	NA	PeJP	NA	NA
+PJ020436	VMMFW 	C35H48N6O6S2	712.3077	NA	PeJP	NA	NA
+PJ020437	GQHWW 	C35H40N10O7	712.3082	NA	PeJP	NA	NA
+MJ091604	Delevoyin C 	C38H48O13	712.309491	NA	MeJP	NA	NA
+MJ091605	Hispidin B 	C38H48O13	712.309491	NA	MeJP	NA	NA
+MJ091606	Zaragozic acid C; O-De-Ac 	C38H48O13	712.309491	NA	MeJP	NA	NA
+PJ020438	GTLEMY 	C31H48N6O11S	712.3102	NA	PeJP	NA	NA
+PJ020439	AAMHHF 	C32H44N10O7S	712.3115	NA	PeJP	NA	NA
+PJ020440	GCLHHF 	C32H44N10O7S	712.3116	NA	PeJP	NA	NA
+PJ020441	SSSNRY 	C28H44N10O12	712.314	NA	PeJP	NA	NA
+PJ020442	GGPPDDR 	C28H44N10O12	712.3141	NA	PeJP	NA	NA
+PJ020443	GCCKFR 	C29H48N10O7S2	712.3149	NA	PeJP	NA	NA
+PJ020444	LEEHW 	C33H44N8O10	712.3181	NA	PeJP	NA	NA
+PJ020445	PHHHW 	C34H40N12O6	712.3194	NA	PeJP	NA	NA
+MJ091607	Potanisine C; 18-O-[2-(2,5-Dioxo-3-methyl-1-pyrrolidinyl)benzoyl] 	C37H48N2O12	712.320725	NA	MeJP	NA	NA
+PJ020446	GSQKMY 	C30H48N8O10S	712.3214	NA	PeJP	NA	NA
+PJ020447	GGGPPPTM 	C30H48N8O10S	712.3215	NA	PeJP	NA	NA
+PJ020448	PTFYW 	C38H44N6O8	712.3221	NA	PeJP	NA	NA
+PJ020449	GSQEHR 	C27H44N12O11	712.3253	NA	PeJP	NA	NA
+PJ020450	TLMYW 	C35H48N6O8S	712.3254	NA	PeJP	NA	NA
+PJ020451	GPVMFY 	C35H48N6O8S	712.3255	NA	PeJP	NA	NA
+PJ020452	STTLEY 	C31H48N6O13	712.3279	NA	PeJP	NA	NA
+PJ020453	VTTTEY 	C31H48N6O13	712.328	NA	PeJP	NA	NA
+PJ020454	GVLMMY 	C32H52N6O8S2	712.3288	NA	PeJP	NA	NA
+PJ020455	NKEHW 	C32H44N10O9	712.3293	NA	PeJP	NA	NA
+MJ091608	3,11,14-Trihydroxycarda-5,20(22)-dienolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-galactopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091609	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091610	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091611	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091612	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-deoxy-?-D-galactopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091613	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-deoxy-?-D-glucopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091614	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091615	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091616	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-fucopyranoside] 	C35H52O15	712.33062	NA	MeJP	NA	NA
+MJ091617	Adociasulfate 3 	C36H56O10S2	712.331489	NA	MeJP	NA	NA
+MJ091618	Shaagrockol C 	C36H56O10S2	712.331489	NA	MeJP	NA	NA
+PJ020456	GSCKRY 	C29H48N10O9S	712.3327	NA	PeJP	NA	NA
+MJ091619	Citrusin II 	C37H44N8O7	712.333295	NA	MeJP	NA	NA
+PJ020457	PPQWW 	C37H44N8O7	712.3333	NA	PeJP	NA	NA
+MJ091620	Adiantifoline; 2'-N-De-Me 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091621	Adiantifoline; O3-De-Me 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091622	Adiantifoline; O6'-De-Me 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091623	Adiantifoline; O7'-De-Me 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091624	Huangshanine; O7'-De-Me 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091625	Pinokalant 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091626	Thalicarpine; N2'-Oxide 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+MJ091627	Thalifaberine; 5'-Hydroxy 	C41H48N2O9	712.335981	NA	MeJP	NA	NA
+PJ020458	PMFRY 	C34H48N8O7S	712.3367	NA	PeJP	NA	NA
+PJ020459	SSTQKY 	C30H48N8O12	712.3392	NA	PeJP	NA	NA
+PJ020460	LMMRY 	C31H52N8O7S2	712.3401	NA	PeJP	NA	NA
+PJ020461	SQHRW 	C31H44N12O8	712.3405	NA	PeJP	NA	NA
+PJ020462	GPTLYY 	C35H48N6O10	712.3432	NA	PeJP	NA	NA
+PJ020463	AAQMHR 	C28H48N12O8S	712.3439	NA	PeJP	NA	NA
+PJ020464	GKHWW 	C36H44N10O6	712.3446	NA	PeJP	NA	NA
+MJ091628	3,14-Dihydroxycard-20(22)-enolide, 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C39H52O12	712.345877	NA	MeJP	NA	NA
+PJ020465	SSLLMY 	C32H52N6O10S	712.3466	NA	PeJP	NA	NA
+PJ020466	SPPQER 	C29H48N10O11	712.3504	NA	PeJP	NA	NA
+PJ020467	GGGGGSPPK 	C29H48N10O11	712.3505	NA	PeJP	NA	NA
+PJ020468	SPPVQW 	C34H48N8O9	712.3544	NA	PeJP	NA	NA
+PJ020469	GPPKEW 	C34H48N8O9	712.3545	NA	PeJP	NA	NA
+PJ020470	NMHRR 	C27H48N14O7S	712.3551	NA	PeJP	NA	NA
+PJ020471	GGMHRR 	C27H48N14O7S	712.3552	NA	PeJP	NA	NA
+PJ020472	GSKKMY 	C31H52N8O9S	712.3578	NA	PeJP	NA	NA
+PJ020473	VVFYW 	C39H48N6O7	712.3585	NA	PeJP	NA	NA
+PJ020474	GSKEHR 	C28H48N12O10	712.3617	NA	PeJP	NA	NA
+PJ020475	GVLMFF 	C36H52N6O7S	712.3619	NA	PeJP	NA	NA
+PJ020476	GPPTRW 	C33H48N10O8	712.3657	NA	PeJP	NA	NA
+C08862	Digitalin	C36H56O14	712.367	NA	KEGG	NA	NA
+MJ091629	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-talopyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091630	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-talopyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091631	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091632	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-6-deoxy-3-O-methyl-?-D-glucopyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091633	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091634	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091635	3,5,14-Trihydroxycard-20(22)-enolide, Glycoside 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091636	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-canaropyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091637	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-canaropyranoside] 	C36H56O14	712.367006	NA	MeJP	NA	NA
+MJ091638	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Glutaroyl-L-argininoyl), 16-Ac 	C37H52N4O10	712.368343	NA	MeJP	NA	NA
+PJ020477	PPVNMR 	C30H52N10O8S	712.3691	NA	PeJP	NA	NA
+PJ020478	PPKWW 	C38H48N8O6	712.3697	NA	PeJP	NA	NA
+7730	NA	TYRKPPFNGSIF~	712.37045	MH2+	Inhouse_peptide	NA	peptide
+MJ091639	Petuniasterone B; 7,22-Bis-(3-pyridinecarbonyl) 	C42H52N2O8	712.372366	NA	MeJP	NA	NA
+PJ020479	GSTHRR 	C27H48N14O9	712.3729	NA	PeJP	NA	NA
+PJ020480	LMFFR 	C35H52N8O6S	712.3731	NA	PeJP	NA	NA
+PJ020481	SSTKKY 	C31H52N8O11	712.3756	NA	PeJP	NA	NA
+PJ020482	SKHRW 	C32H48N12O7	712.3769	NA	PeJP	NA	NA
+PJ020483	AALLYY 	C36H52N6O9	712.3796	NA	PeJP	NA	NA
+PJ020484	GPPMRR 	C29H52N12O7S	712.3803	NA	PeJP	NA	NA
+PJ020485	SPPKER 	C30H52N10O10	712.3868	NA	PeJP	NA	NA
+PJ020486	SPPVKW 	C35H52N8O8	712.3908	NA	PeJP	NA	NA
+PJ020487	GGAPLLW 	C35H52N8O8	712.3909	NA	PeJP	NA	NA
+PJ020488	SLLLMH 	C32H56N8O8S	712.3942	NA	PeJP	NA	NA
+MJ091640	2,3-Dihydroxy-14-taraxeren-28-oic acid, 2,3-Bis-(4-hydroxybenzoyl) 	C44H56O8	712.397518	NA	MeJP	NA	NA
+PJ020489	SPPTRR 	C29H52N12O9	712.398	NA	PeJP	NA	NA
+PJ020490	GPVERR 	C29H52N12O9	712.3981	NA	PeJP	NA	NA
+PJ020491	PLLLEE 	C33H56N6O11	712.4007	NA	PeJP	NA	NA
+PJ020492	AAPLRW 	C34H52N10O7	712.4021	NA	PeJP	NA	NA
+MJ091641	Spirostane-2,3,5,6-tetrol, 3-(2-Hydroxybutanoyl), 2-O-?-D-glucopyranoside 	C37H60O13	712.403392	NA	MeJP	NA	NA
+MJ091642	Marinobufagin; O3-(L-Argininylsuberoyl) 	C38H56N4O9	712.404729	NA	MeJP	NA	NA
+PJ020493	PPCLKR 	C31H56N10O7S	712.4055	NA	PeJP	NA	NA
+PJ020494	PERRR 	C28H52N14O8	712.4093	NA	PeJP	NA	NA
+PJ020495	PVLQKE 	C32H56N8O10	712.412	NA	PeJP	NA	NA
+PJ020496	PVRRW 	C33H52N12O6	712.4133	NA	PeJP	NA	NA
+MJ091643	Lasonolide B 	C41H60O10	712.418648	NA	MeJP	NA	NA
+PJ020497	APLKER 	C31H56N10O9	712.4232	NA	PeJP	NA	NA
+PJ020498	GPLLKW 	C36H56N8O7	712.4272	NA	PeJP	NA	NA
+PJ020499	PPLKKM 	C33H60N8O7S	712.4306	NA	PeJP	NA	NA
+PJ020500	APTLRR 	C30H56N12O8	712.4344	NA	PeJP	NA	NA
+PJ020501	GGAPKKR 	C30H56N12O8	712.4345	NA	PeJP	NA	NA
+MJ091644	Cholest-5-ene-1,3,16,22-tetrol, 1-O-?-L-Arabinopyranoside, 16-O-?-L-rhamnopyranoside 	C38H64O12	712.439777	NA	MeJP	NA	NA
+MJ091645	Dammar-23-ene-1,2,3,20,25-pentol, 25-Hydroperoxide, 3-O-(2-O-acetyl-?-D-glucopyranoside) 	C38H64O12	712.439777	NA	MeJP	NA	NA
+MJ091646	Dammar-23-ene-1,2,3,20,25-pentol, 25-Hydroperoxide, 3-O-(6-O-acetyl-?-D-glucopyranoside) 	C38H64O12	712.439777	NA	MeJP	NA	NA
+MJ091647	Dammar-25-ene-1,2,3,20,24-pentol, 24-Hydroperoxide, 3-O-(2-O-acetyl-?-D-glucopyranoside) 	C38H64O12	712.439777	NA	MeJP	NA	NA
+MJ091648	Dammar-25-ene-1,2,3,20,24-pentol, 24-Hydroperoxide, 3-O-(6-O-acetyl-?-D-glucopyranoside) 	C38H64O12	712.439777	NA	MeJP	NA	NA
+PJ020502	PVLKKE 	C33H60N8O9	712.4484	NA	PeJP	NA	NA
+PJ020503	SPLLKR 	C32H60N10O8	712.4596	NA	PeJP	NA	NA
+MJ091649	3,3',4,4'-Tetradehydro-1',2'-dihydro-1'-hydroxy-?,?-carotene; O-?-D-Glucopyranoside 	C46H64O6	712.470289	NA	MeJP	NA	NA
+MJ091650	Amarouciaxanthin B; 19'-Hexanoyloxy, 4,5?-dihydro 	C46H64O6	712.470289	NA	MeJP	NA	NA
+MJ091651	Chlorobactene; 1',2'-Dihydro, 1'-hydroxy, O-?-D-glucopyranoside 	C46H64O6	712.470289	NA	MeJP	NA	NA
+MJ091652	Mytiloxanthin; 19-Hexanoyloxy 	C46H64O6	712.470289	NA	MeJP	NA	NA
+C15914	Hydroxychlorobactene glucoside	C46H64O6	712.4703	NA	KEGG	NA	NA
+PJ020504	GVLLRR 	C31H60N12O7	712.4708	NA	PeJP	NA	NA
+PJ020505	LLLLLE 	C35H64N6O9	712.4735	NA	PeJP	NA	NA
+MJ091653	Dolabelide D 	C39H68O11	712.476163	NA	MeJP	NA	NA
+PJ020506	LLRRR 	C30H60N14O6	712.4821	NA	PeJP	NA	NA
+PJ020507	VLLLQK 	C34H64N8O8	712.4847	NA	PeJP	NA	NA
+PJ020508	GGILLLK 	C34H64N8O8	712.4848	NA	PeJP	NA	NA
+MJ091654	Bisdequalinium(2+); Diacetate 	C44H64N4O4	712.492756	NA	MeJP	NA	NA
+PJ020509	ALLLKR 	C33H64N10O7	712.496	NA	PeJP	NA	NA
+HMDB07788	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H68O5	712.506653	NA	HMDB2010	NA	NA
+PJ020510	VLLLKK 	C35H68N8O7	712.5211	NA	PeJP	NA	NA
+MetaCyc04071	3-demethylubiquinone-8 [OMHMB;2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone;]	C48H72O4	712.543061	NA	metacyc	NA	NA
+C05815	2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	C48H72O4	712.5431	NA	KEGG	NA	NA
+C12967	Tocoretinate	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12968	Transferred to D01517	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12969	Transferred to D01518	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12970	Transferred to D01519	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12971	Transferred to D01520	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12972	Transferred to D01521	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12973	Transferred to D01522	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12974	Transferred to D01523	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12975	Transferred to D01524	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12976	Transferred to D01525	C49H76O3	712.5794	NA	KEGG	NA	NA
+C12977	Transferred to D01526	C49H76O3	712.5794	NA	KEGG	NA	NA
+MJ091655	Retinoic acid, Ester with ?-tocopherol 	C49H76O3	712.579446	NA	MeJP	NA	NA
+MJ091656	Iristectorene A; Deacyl, 3-O-hexadecanoyl 	C46H80O5	712.600575	NA	MeJP	NA	NA
+MJ091657	Araplysillin I 	C21H23Br4N3O5	712.837121	NA	MeJP	NA	NA
+2992	kinases inhibitor	KKALRRQECVDAL	712.91345	MH2+	Inhouse_peptide	NA	peptide
+C16304	Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside	C30H33O20	713.1565	NA	KEGG	NA	NA
+FL7AAGGL0060	Delphinidin 3-(6-malonylglucoside)-5-glucoside	C30H33O20	713.15651	104078-08-2	knapsack	NA	NA
+FL7AAGGL0070	Delphinidin 3-glucoside-5-(6-malonylglucoside)	C30H33O20	713.15651	221350-33-0	knapsack	NA	NA
+PJ020511	GSCCDDD 	C23H35N7O15S2	713.1633	NA	PeJP	NA	NA
+PJ020512	GPCCCCE 	C24H39N7O10S4	713.1642	NA	PeJP	NA	NA
+PJ020513	PCCCCW 	C28H39N7O7S4	713.1794	NA	PeJP	NA	NA
+PJ020514	CCNDEM 	C24H39N7O12S3	713.1819	NA	PeJP	NA	NA
+PJ020515	CCCDDR 	C23H39N9O11S3	713.1931	NA	PeJP	NA	NA
+PJ020516	GGGSCCCQ 	C23H39N9O11S3	713.1932	NA	PeJP	NA	NA
+PJ020517	GCCDMW 	C28H39N7O9S3	713.1972	NA	PeJP	NA	NA
+PJ020518	GSSCDDM 	C24H39N7O14S2	713.1997	NA	PeJP	NA	NA
+PJ020519	GPTCCCM 	C25H43N7O9S4	713.2005	NA	PeJP	NA	NA
+PJ020520	SSSCCNN 	C23H39N9O13S2	713.2109	NA	PeJP	NA	NA
+PJ020521	SSCCEW 	C28H39N7O11S2	713.2149	NA	PeJP	NA	NA
+PJ020522	SSSSCDE 	C24H39N7O16S	713.2174	NA	PeJP	NA	NA
+PJ020523	SCNEMM 	C25H43N7O11S3	713.2183	NA	PeJP	NA	NA
+PJ020524	CCYYY 	C33H39N5O9S2	713.2189	NA	PeJP	NA	NA
+PJ020525	CCNNNF 	C27H39N9O10S2	713.2262	NA	PeJP	NA	NA
+PJ020526	SCCDMR 	C24H43N9O10S3	713.2295	NA	PeJP	NA	NA
+PJ020527	GNDDMY 	C28H39N7O13S	713.2327	NA	PeJP	NA	NA
+PJ020528	ATCCMW 	C29H43N7O8S3	713.2335	NA	PeJP	NA	NA
+PJ020529	GSCMMW 	C29H43N7O8S3	713.2336	NA	PeJP	NA	NA
+PJ020530	ASSSCEM 	C25H43N7O13S2	713.236	NA	PeJP	NA	NA
+PJ020531	GSSSDMM 	C25H43N7O13S2	713.2361	NA	PeJP	NA	NA
+PJ020532	GNMMMM 	C26H47N7O8S4	713.2369	NA	PeJP	NA	NA
+PJ020533	SCCQHH 	C26H39N11O9S2	713.2374	NA	PeJP	NA	NA
+PJ020534	SCNNNY 	C27H39N9O12S	713.2439	NA	PeJP	NA	NA
+PJ020535	CNEYW 	C32H39N7O10S	713.2479	NA	PeJP	NA	NA
+PJ020536	ACCMMR 	C25H47N9O7S4	713.2482	NA	PeJP	NA	NA
+PJ020537	SSNDEY 	C28H39N7O15	713.2504	NA	PeJP	NA	NA
+PJ020538	SSTCMW 	C29H43N7O10S2	713.2513	NA	PeJP	NA	NA
+PJ020539	SSSSSEM 	C25H43N7O15S	713.2538	NA	PeJP	NA	NA
+PJ020540	SSQMMM 	C26H47N7O10S3	713.2547	NA	PeJP	NA	NA
+PJ020541	GSSSCHH 	C26H39N11O11S	713.2552	NA	PeJP	NA	NA
+PJ020542	GPCDHW 	C31H39N9O9S	713.2592	NA	PeJP	NA	NA
+PJ020543	GNEEEH 	C27H39N9O14	713.2617	NA	PeJP	NA	NA
+PJ020544	ACCDFR 	C28H43N9O9S2	713.2625	NA	PeJP	NA	NA
+PJ020545	GCCEFR 	C28H43N9O9S2	713.2626	NA	PeJP	NA	NA
+PJ020546	GCYWW 	C36H39N7O7S	713.2632	NA	PeJP	NA	NA
+PJ020547	GSSDYW 	C32H39N7O12	713.2657	NA	PeJP	NA	NA
+PJ020548	SSCMMR 	C25H47N9O9S3	713.2659	NA	PeJP	NA	NA
+PJ020549	CQMFW 	C33H43N7O7S2	713.2666	NA	PeJP	NA	NA
+MJ091658	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 2-(3-Pyridinecarbonyl), 3,5,7,8,15-penta-Ac 	C36H43NO14	713.268355	NA	MeJP	NA	NA
+MJ091659	Ipecosidic acid; 6-Me ether, N-de-Ac, N-(4-hydroxy-3-methoxy-E-cinnamoyl), Me ester 	C36H43NO14	713.268355	NA	MeJP	NA	NA
+MJ091660	Ipecosidic acid; 6-Me ether, N-de-Ac, N-(4-hydroxy-3-methoxy-Z-cinnamoyl), Me ester 	C36H43NO14	713.268355	NA	MeJP	NA	NA
+PJ020550	GSQEMY 	C29H43N7O12S	713.2691	NA	PeJP	NA	NA
+PJ020551	GCNHHF 	C30H39N11O8S	713.2704	NA	PeJP	NA	NA
+PJ020552	GSSTTMM 	C26H47N7O12S2	713.2724	NA	PeJP	NA	NA
+PJ020553	GDDDHR 	C26H39N11O13	713.2729	NA	PeJP	NA	NA
+PJ020554	ACKMMM 	C27H51N7O7S4	713.2733	NA	PeJP	NA	NA
+PJ020555	SCCKHH 	C27H43N11O8S2	713.2738	NA	PeJP	NA	NA
+PJ020556	NEEHW 	C31H39N9O11	713.2769	NA	PeJP	NA	NA
+PJ020557	CCFRW 	C32H43N9O6S2	713.2778	NA	PeJP	NA	NA
+PJ020558	GSCERY 	C28H43N9O11S	713.2803	NA	PeJP	NA	NA
+PJ020559	SQMYW 	C33H43N7O9S	713.2843	NA	PeJP	NA	NA
+PJ020560	SSTQEY 	C29H43N7O14	713.2868	NA	PeJP	NA	NA
+PJ020561	AAQMMY 	C30H47N7O9S2	713.2877	NA	PeJP	NA	NA
+PJ020562	GSNNHW 	C30H39N11O10	713.2882	NA	PeJP	NA	NA
+7825	ACE inhibitor	PSGQYY	713.289	antithrombotic	Inhouse_peptide	NA	peptide
+PJ020563	SSSTTTM 	C26H47N7O14S	713.2902	NA	PeJP	NA	NA
+PJ020564	SSKMMM 	C27H51N7O9S3	713.2911	NA	PeJP	NA	NA
+PJ020565	SPCDHR 	C27H43N11O10S	713.2915	NA	PeJP	NA	NA
+PJ020566	GGGGAQMH 	C27H43N11O10S	713.2916	NA	PeJP	NA	NA
+PJ020567	GEHWW 	C35H39N9O8	713.2922	NA	PeJP	NA	NA
+PJ020568	SCRYW 	C32H43N9O8S	713.2955	NA	PeJP	NA	NA
+PJ020569	GSPMHW 	C32H43N9O8S	713.2956	NA	PeJP	NA	NA
+PJ020570	SSSDRY 	C28H43N9O13	713.2981	NA	PeJP	NA	NA
+PJ020571	NMMRY 	C29H47N9O8S2	713.2989	NA	PeJP	NA	NA
+PJ020572	GSTTYW 	C33H43N7O11	713.3021	NA	PeJP	NA	NA
+PJ020573	GCNQHR 	C26H43N13O9S	713.3028	NA	PeJP	NA	NA
+PJ020574	CKMFW 	C34H47N7O6S2	713.3029	NA	PeJP	NA	NA
+MJ091661	Damavaricin D; 14-Hydroxy 	C37H47NO13	713.30474	NA	MeJP	NA	NA
+MJ091662	Rifamycin S; 16,17-Dihydro, 17-hydroxy 	C37H47NO13	713.30474	NA	MeJP	NA	NA
+PJ020575	ASDKMY 	C30H47N7O11S	713.3054	NA	PeJP	NA	NA
+PJ020576	GSKEMY 	C30H47N7O11S	713.3055	NA	PeJP	NA	NA
+PJ020577	HWWW 	C39H39N9O5	713.3074	NA	PeJP	NA	NA
+PJ020578	GSEEHR 	C27H43N11O12	713.3093	NA	PeJP	NA	NA
+PJ020579	APCMHR 	C28H47N11O7S2	713.3102	NA	PeJP	NA	NA
+PJ020580	DKEHW 	C32H43N9O10	713.3133	NA	PeJP	NA	NA
+PJ020581	HHHHF 	C33H39N13O6	713.3147	NA	PeJP	NA	NA
+PJ020582	GSTMRY 	C29H47N9O10S	713.3167	NA	PeJP	NA	NA
+PJ020583	PPEWW 	C37H43N7O8	713.3173	NA	PeJP	NA	NA
+PJ020584	SSNNHR 	C26H43N13O11	713.3205	NA	PeJP	NA	NA
+PJ020585	SKMYW 	C34H47N7O8S	713.3207	NA	PeJP	NA	NA
+PJ020586	SSTKEY 	C30H47N7O13	713.3232	NA	PeJP	NA	NA
+PJ020587	AAKMMY 	C31H51N7O8S2	713.3241	NA	PeJP	NA	NA
+PJ020588	SEHRW 	C31H43N11O9	713.3245	NA	PeJP	NA	NA
+PJ020589	AAEMHR 	C28H47N11O9S	713.3279	NA	PeJP	NA	NA
+PJ020590	SVHWW 	C36H43N9O7	713.3286	NA	PeJP	NA	NA
+PJ020591	LQMHW 	C33H47N9O7S	713.3319	NA	PeJP	NA	NA
+PJ020592	GALMHW 	C33H47N9O7S	713.332	NA	PeJP	NA	NA
+PJ020593	SSTTRY 	C29H47N9O12	713.3344	NA	PeJP	NA	NA
+PJ020594	PPTDER 	C29H47N9O12	713.3345	NA	PeJP	NA	NA
+PJ020595	APKMMH 	C30H51N9O7S2	713.3353	NA	PeJP	NA	NA
+PJ020596	GVQHHH 	C30H43N13O8	713.3358	NA	PeJP	NA	NA
+PJ020597	SPPVEW 	C34H47N7O10	713.3385	NA	PeJP	NA	NA
+PJ020598	DMHRR 	C27H47N13O8S	713.3392	NA	PeJP	NA	NA
+PJ020599	ATTKMY 	C31H51N7O10S	713.3418	NA	PeJP	NA	NA
+PJ020600	GAPPLEM 	C31H51N7O10S	713.3419	NA	PeJP	NA	NA
+8	Myosin	MNPPKQ	713.342	celiac toxic	Inhouse_peptide	NA	peptide
+PJ020601	CLHRW 	C32H47N11O6S	713.3432	NA	PeJP	NA	NA
+PJ020602	ATTEHR 	C28H47N11O11	713.3457	NA	PeJP	NA	NA
+PJ020603	QHHHR 	C29H43N15O7	713.347	NA	PeJP	NA	NA
+PJ020604	GTTLHW 	C33H47N9O9	713.3497	NA	PeJP	NA	NA
+PJ020605	PPVDMR 	C30H51N9O9S	713.3531	NA	PeJP	NA	NA
+PJ020606	AKFYW 	C38H47N7O7	713.3537	NA	PeJP	NA	NA
+PJ020607	GPNDRR 	C27H47N13O10	713.3569	NA	PeJP	NA	NA
+PJ020608	APPLMW 	C35H51N7O7S	713.3571	NA	PeJP	NA	NA
+PJ020609	TTTTKY 	C31H51N7O12	713.3596	NA	PeJP	NA	NA
+PJ020610	PQQRW 	C32H47N11O8	713.3609	NA	PeJP	NA	NA
+PJ020611	GGAAPRW 	C32H47N11O8	713.361	NA	PeJP	NA	NA
+PJ020612	GTLMHR 	C29H51N11O8S	713.3643	NA	PeJP	NA	NA
+PJ020613	PKHFW 	C37H47N9O6	713.365	NA	PeJP	NA	NA
+PJ020614	LKMHW 	C34H51N9O6S	713.3683	NA	PeJP	NA	NA
+PJ020615	APLEER 	C30H51N9O11	713.3708	NA	PeJP	NA	NA
+MJ091663	Antrimycin; Antrimycin C 	C30H51N9O11	713.370803	NA	MeJP	NA	NA
+MJ091664	Antrimycin; Antrimycin Dv 	C30H51N9O11	713.370803	NA	MeJP	NA	NA
+PJ020616	GGGGPLKE 	C30H51N9O11	713.3709	NA	PeJP	NA	NA
+PJ020617	APPHHR 	C31H47N13O7	713.3722	NA	PeJP	NA	NA
+PJ020618	PPTTLW 	C35H51N7O9	713.3748	NA	PeJP	NA	NA
+PJ020619	GPLLEW 	C35H51N7O9	713.3749	NA	PeJP	NA	NA
+PJ020620	PPLKEM 	C32H55N7O9S	713.3782	NA	PeJP	NA	NA
+PJ020621	STTLHR 	C29H51N11O10	713.3821	NA	PeJP	NA	NA
+PJ020622	KHHHR 	C30H47N15O6	713.3834	NA	PeJP	NA	NA
+PJ020623	GPVQKW 	C34H51N9O8	713.3861	NA	PeJP	NA	NA
+MJ091665	Curromycin A 	C38H55N3O10	713.388744	NA	MeJP	NA	NA
+MJ091666	Oxazolomycin; 13'-Methyl, 16-(methoxymethyl) 	C38H55N3O10	713.388744	NA	MeJP	NA	NA
+PJ020624	PPTLMR 	C31H55N9O8S	713.3895	NA	PeJP	NA	NA
+PJ020625	PLLWW 	C39H51N7O6	713.3901	NA	PeJP	NA	NA
+MJ091667	Nodulosporic acid A1; 3',4'-Dihydro, 3'?-hydroxy 	C43H55NO8	713.392767	NA	MeJP	NA	NA
+PJ020626	GPTQRR 	C28H51N13O9	713.3933	NA	PeJP	NA	NA
+PJ020627	PVLKEE 	C32H55N7O11	713.396	NA	PeJP	NA	NA
+PJ020628	PQKRW 	C33H51N11O7	713.3973	NA	PeJP	NA	NA
+MJ091668	Mycinamycin II; 3B-O-De-Me 	C36H59NO13	713.39864	NA	MeJP	NA	NA
+MJ091669	Mycinamycin XII 	C36H59NO13	713.39864	NA	MeJP	NA	NA
+MJ091670	Microginin 	C37H55N5O9	713.399978	NA	MeJP	NA	NA
+PJ020629	ACKKKH 	C30H55N11O7S	713.4007	NA	PeJP	NA	NA
+PJ020630	SPLLER 	C31H55N9O10	713.4072	NA	PeJP	NA	NA
+PJ020631	VHFRR 	C32H51N13O6	713.4086	NA	PeJP	NA	NA
+PJ020632	SPVLLW 	C36H55N7O8	713.4112	NA	PeJP	NA	NA
+MJ091671	Pseudostellarin D 	C36H55N7O8	713.411211	NA	MeJP	NA	NA
+PJ020633	GPPVVVF 	C36H55N7O8	713.4113	NA	PeJP	NA	NA
+PJ020634	PLLLQM 	C33H59N7O8S	713.4146	NA	PeJP	NA	NA
+PJ020635	AVLQQR 	C30H55N11O9	713.4184	NA	PeJP	NA	NA
+PJ020636	GPKKER 	C30H55N11O9	713.4185	NA	PeJP	NA	NA
+PJ020637	GPVKKW 	C35H55N9O7	713.4225	NA	PeJP	NA	NA
+PJ020638	PVVLMR 	C32H59N9O7S	713.4259	NA	PeJP	NA	NA
+MJ091672	Pipotiazine; O-Hexadecanoyl 	C40H63N3O4S2	713.425998	NA	MeJP	NA	NA
+PJ020639	GPTKRR 	C29H55N13O8	713.4297	NA	PeJP	NA	NA
+PJ020640	VLLLQE 	C33H59N7O10	713.4324	NA	PeJP	NA	NA
+PJ020641	PKKRW 	C34H55N11O6	713.4337	NA	PeJP	NA	NA
+MJ091673	Antibiotic A 6888X 	C37H63NO12	713.435026	NA	MeJP	NA	NA
+MJ091674	Sporeamicin A 	C37H63NO12	713.435026	NA	MeJP	NA	NA
+PJ020642	VQRRR 	C28H55N15O7	713.4409	NA	PeJP	NA	NA
+PJ020643	ALLLER 	C32H59N9O9	713.4436	NA	PeJP	NA	NA
+PJ020644	GLLLLW 	C37H59N7O7	713.4476	NA	PeJP	NA	NA
+PJ020645	PLLLKM 	C34H63N7O7S	713.451	NA	PeJP	NA	NA
+PJ020646	ARRRR 	C27H55N17O6	713.4522	NA	PeJP	NA	NA
+PJ020647	SPVKKR 	C31H59N11O8	713.4548	NA	PeJP	NA	NA
+PJ020648	GGAILKR 	C31H59N11O8	713.4549	NA	PeJP	NA	NA
+PJ020649	AALKRR 	C30H59N13O7	713.4661	NA	PeJP	NA	NA
+PJ020650	VLLLKE 	C34H63N7O9	713.4688	NA	PeJP	NA	NA
+PJ020651	VKRRR 	C29H59N15O6	713.4773	NA	PeJP	NA	NA
+PJ020652	SLLLLR 	C33H63N9O8	713.48	NA	PeJP	NA	NA
+PJ020653	GLLKKR 	C32H63N11O7	713.4912	NA	PeJP	NA	NA
+MJ091675	Pepstatins; Pepstatin D 	C36H67N5O9	713.493878	NA	MeJP	NA	NA
+MJ091676	Pepstatins; Pepstatin E 	C36H67N5O9	713.493878	NA	MeJP	NA	NA
+MJ091677	Pepstatins; Pepstatin F 	C36H67N5O9	713.493878	NA	MeJP	NA	NA
+MJ091678	Procidin S 346 	C36H67N5O9	713.493878	NA	MeJP	NA	NA
+HMDB08836	PE(14:0/20:3(5Z,8Z,11Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB08837	PE(14:0/20:3(8Z,11Z,14Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB08868	PE(14:1(9Z)/20:2(11Z,14Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB08929	PE(16:0/18:3(6Z,9Z,12Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB08930	PE(16:0/18:3(9Z,12Z,15Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB08961	PE(16:1(9Z)/18:2(9Z,12Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB09089	PE(18:2(9Z,12Z)/16:1(9Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB09121	PE(18:3(6Z,9Z,12Z)/16:0)	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB09154	PE(18:3(9Z,12Z,15Z)/16:0)	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB09284	PE(20:2(11Z,14Z)/14:1(9Z))	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB09316	PE(20:3(5Z,8Z,11Z)/14:0)	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+HMDB09349	PE(20:3(8Z,11Z,14Z)/14:0)	C39H72NO8P	713.499573	NA	HMDB2010	NA	NA
+PJ020654	VVLKKK 	C34H67N9O7	713.5164	NA	PeJP	NA	NA
+HMDB07930	PC(14:1(9Z)/P-18:1(11Z))	C40H76NO7P	713.53595	NA	HMDB2010	NA	NA
+HMDB07931	PC(14:1(9Z)/P-18:1(9Z))	C40H76NO7P	713.53595	NA	HMDB2010	NA	NA
+HMDB11270	PC(P-18:1(11Z)/14:1(9Z))	C40H76NO7P	713.53595	NA	HMDB2010	NA	NA
+HMDB11303	PC(P-18:1(9Z)/14:1(9Z))	C40H76NO7P	713.53595	NA	HMDB2010	NA	NA
+MJ091679	2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C40H75NO9	713.544183	NA	MeJP	NA	NA
+MJ091680	5,5'-Bis[1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-2,3-naphthalenedicarboxylic acid] 	C36H26O16	714.122084	NA	MeJP	NA	NA
+MJ091681	Yunnaneic acid H 	C36H26O16	714.122084	NA	MeJP	NA	NA
+MJ091682	3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) 	C37H30O15	714.15847	NA	MeJP	NA	NA
+MJ091683	Quercitrin; 4''-O-(4-Hydroxycinnamoyl), 2''-O-(4-hydroxybenzoyl) 	C37H30O15	714.15847	NA	MeJP	NA	NA
+FL5FACGS0051	Quercetin 3-(2''-p-hydroxybenzoyl-4''-p-coumarylrhamnoside)	C37H30O15	714.15847	126149-76-6	knapsack	NA	NA
+PJ020655	CCDDEM 	C24H38N6O13S3	714.1659	NA	PeJP	NA	NA
+PJ020656	CCCCHF 	C27H38N8O7S4	714.1747	NA	PeJP	NA	NA
+PJ020657	GSCCCNE 	C23H38N8O12S3	714.1772	NA	PeJP	NA	NA
+MJ091684	4',5,6,7-Tetrahydroxyflavone; 7-Me ether, 4'-O-[2,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl], 6-O-(O-acetylglucoside) 	C34H34O17	714.179599	NA	MeJP	NA	NA
+MJ091685	Populnin; 3-O-(O-Benzoyl-?-D-glucopyranoside) 	C34H34O17	714.179599	NA	MeJP	NA	NA
+PJ020658	SCCCNW 	C27H38N8O9S3	714.1924	NA	PeJP	NA	NA
+MJ091686	Julichrome Q2.3 	C38H34O14	714.194855	NA	MeJP	NA	NA
+MJ091687	Julimycin BII 	C38H34O14	714.194855	NA	MeJP	NA	NA
+MJ091688	Spectomycin B1 	C38H34O14	714.194855	NA	MeJP	NA	NA
+PJ020659	SSSCCND 	C23H38N8O14S2	714.1949	NA	PeJP	NA	NA
+PJ020660	CCNNMM 	C24H42N8O9S4	714.1958	NA	PeJP	NA	NA
+PJ020661	PCCDDY 	C28H38N6O12S2	714.1989	NA	PeJP	NA	NA
+PJ020662	SCDEMM 	C25H42N6O12S3	714.2023	NA	PeJP	NA	NA
+PJ020663	PCCMMM 	C26H46N6O7S5	714.2032	NA	PeJP	NA	NA
+PJ020664	CCCCQR 	C23H42N10O8S4	714.207	NA	PeJP	NA	NA
+PJ020665	CCNNDF 	C27H38N8O11S2	714.2102	NA	PeJP	NA	NA
+PJ020666	GSSCCQM 	C24H42N8O11S3	714.2135	NA	PeJP	NA	NA
+PJ020667	GGGSTCCM 	C24H42N8O11S3	714.2136	NA	PeJP	NA	NA
+PJ020668	GDDDMY 	C28H38N6O14S	714.2167	NA	PeJP	NA	NA
+PJ020669	PCCDMF 	C29H42N6O9S3	714.2176	NA	PeJP	NA	NA
+PJ020670	GDMMMM 	C26H46N6O9S4	714.2209	NA	PeJP	NA	NA
+PJ020671	SCCEHH 	C26H38N10O10S2	714.2214	NA	PeJP	NA	NA
+PJ020672	GSSCCCR 	C23H42N10O10S3	714.2248	NA	PeJP	NA	NA
+PJ020673	SCNNDY 	C27H38N8O13S	714.2279	NA	PeJP	NA	NA
+PJ020674	SSSSCNM 	C24H42N8O13S2	714.2313	NA	PeJP	NA	NA
+PJ020675	CDEYW 	C32H38N6O11S	714.2319	NA	PeJP	NA	NA
+PJ020676	CCCQKM 	C25H46N8O8S4	714.2322	NA	PeJP	NA	NA
+PJ020677	SSDDEY 	C28H38N6O16	714.2344	NA	PeJP	NA	NA
+PJ020678	SPCDMY 	C29H42N6O11S2	714.2353	NA	PeJP	NA	NA
+MJ091689	Demecarium(2+); Dibromide 	C32H52Br2N4O4	714.235531	NA	MeJP	NA	NA
+MJ091690	Loganic acid; 7-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxycinnamoyl] 	C32H42O18	714.237114	NA	MeJP	NA	NA
+PJ020679	SSEMMM 	C26H46N6O11S3	714.2387	NA	PeJP	NA	NA
+PJ020680	GCMMHH 	C27H42N10O7S3	714.24	NA	PeJP	NA	NA
+PJ020681	CCCCKR 	C24H46N10O7S4	714.2434	NA	PeJP	NA	NA
+PJ020682	GDEEEH 	C27H38N8O15	714.2457	NA	PeJP	NA	NA
+PJ020683	GCNQMY 	C28H42N8O10S2	714.2466	NA	PeJP	NA	NA
+PJ020684	GSSSSSTC 	C24H42N8O15S	714.2491	NA	PeJP	NA	NA
+PJ020685	GDDDFF 	C32H38N6O13	714.2497	NA	PeJP	NA	NA
+PJ020686	GSSCCKM 	C25H46N8O10S3	714.2499	NA	PeJP	NA	NA
+PJ020687	CNNNNH 	C25H38N12O11S	714.2504	NA	PeJP	NA	NA
+PJ020688	CEMFW 	C33H42N6O8S2	714.2506	NA	PeJP	NA	NA
+PJ020689	GSEEMY 	C29H42N6O13S	714.2531	NA	PeJP	NA	NA
+PJ020690	APCMMY 	C30H46N6O8S3	714.2539	NA	PeJP	NA	NA
+PJ020691	PVCCMY 	C30H46N6O8S3	714.254	NA	PeJP	NA	NA
+PJ020692	GCDHHF 	C30H38N10O9S	714.2544	NA	PeJP	NA	NA
+PJ020693	SNNDEH 	C26H38N10O14	714.2569	NA	PeJP	NA	NA
+PJ020694	ATMMMM 	C27H50N6O8S4	714.2573	NA	PeJP	NA	NA
+PJ020695	GCCNRY 	C27H42N10O9S2	714.2578	NA	PeJP	NA	NA
+PJ020696	DEEHW 	C31H38N8O12	714.2609	NA	PeJP	NA	NA
+PJ020697	SSNNMY 	C28H42N8O12S	714.2643	NA	PeJP	NA	NA
+PJ020698	PPCMMH 	C29H46N8O7S3	714.2652	NA	PeJP	NA	NA
+PJ020699	SSSSSSSS 	C24H42N8O17	714.2668	NA	PeJP	NA	NA
+MJ091691	1,2,3,4,6,9-Hexahydroxydihydro-?-agarofuran, 1,6,9-Tribenzoyl, 2,3-di-Ac 	C40H42O12	714.267626	NA	MeJP	NA	NA
+MJ091692	1,2,3,4,8,9-Hexahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 2,3-di-Ac 	C40H42O12	714.267626	NA	MeJP	NA	NA
+MJ091693	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 6,14-di-Ac 	C40H42O12	714.267626	NA	MeJP	NA	NA
+MJ091694	Lappaol F 	C40H42O12	714.267626	NA	MeJP	NA	NA
+MJ091695	Secoisolariciresinol, 9,9'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) 	C40H42O12	714.267626	NA	MeJP	NA	NA
+PJ020700	SSSTCCK 	C25H46N8O12S2	714.2677	NA	PeJP	NA	NA
+PJ020701	SEMYW 	C33H42N6O10S	714.2683	NA	PeJP	NA	NA
+PJ020702	CCCKKM 	C26H50N8O7S4	714.2686	NA	PeJP	NA	NA
+PJ020703	SSTEEY 	C29H42N6O15	714.2708	NA	PeJP	NA	NA
+PJ020704	PPDEEE 	C29H42N6O15	714.2709	NA	PeJP	NA	NA
+PJ020705	AAEMMY 	C30H46N6O10S2	714.2717	NA	PeJP	NA	NA
+PJ020706	GSNDHW 	C30H38N10O11	714.2722	NA	PeJP	NA	NA
+MJ091696	15,16-Epoxy-2,6-dihydroxy-3,13(16),14-clerodatrien-17,12-olid-18-oic acid, 2,6-Di-O-?-D-glucopyranoside, Me ester 	C33H46O17	714.2735	NA	MeJP	NA	NA
+MJ091697	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H46O17	714.2735	NA	MeJP	NA	NA
+MJ091698	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C33H46O17	714.2735	NA	MeJP	NA	NA
+MJ091699	3,3',4,4',5,9-Hexahydroxy-7,9'-epoxylignan, 3,3',5-Tri-Me ether, 4,4'-di-O-?-D-glucopyranoside 	C33H46O17	714.2735	NA	MeJP	NA	NA
+MJ091700	Arctigenic acid; 4'-?-Gentiobioside 	C33H46O17	714.2735	NA	MeJP	NA	NA
+PJ020707	TTTMMM 	C27H50N6O10S3	714.2751	NA	PeJP	NA	NA
+PJ020708	ANNEMH 	C27H42N10O11S	714.2755	NA	PeJP	NA	NA
+PJ020709	GNQEMH 	C27H42N10O11S	714.2756	NA	PeJP	NA	NA
+PJ020710	GCNQFF 	C32H42N8O9S	714.2796	NA	PeJP	NA	NA
+PJ020711	GSSSSQY 	C28H42N8O14	714.2821	NA	PeJP	NA	NA
+PJ020712	DMMRY 	C29H46N8O9S2	714.2829	NA	PeJP	NA	NA
+PJ020713	GGGCKMY 	C29H46N8O9S2	714.283	NA	PeJP	NA	NA
+PJ020714	PCFYW 	C37H42N6O7S	714.2836	NA	PeJP	NA	NA
+PJ020715	GSPEYY 	C33H42N6O12	714.2861	NA	PeJP	NA	NA
+PJ020716	GCNEHR 	C26H42N12O10S	714.2868	NA	PeJP	NA	NA
+PJ020717	CLMYW 	C34H46N6O7S2	714.287	NA	PeJP	NA	NA
+MJ091701	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 10-Benzoyl, 2,4,7,9,13-penta-Ac 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091702	3,5,6,11,14,15,17-Heptahydroxy-9-segetanone, 3-Benzoyl, 5,6,11,14,17-penta-Ac 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091703	3,5,6,11,14,15-Hexahydroxy-9-segetanone, 3-Benzoyl, 5-(2-acetoxyacetyl), 6,11,14-tri-Ac 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091704	3,5,6,14,15,17-Hexahydroxy-9-segetanone, 3-Benzoyl, 5-(2-acetoxyacetyl), 6,14,17-tri-Ac 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091705	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 4,7,9,10,13-penta-Ac 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091706	Antibiotic BA 12100Z1; 12b-De-O-glycosyl 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091707	Dregeanin 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091708	Neobeguin 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091709	Paralinone A 	C37H46O14	714.288756	NA	MeJP	NA	NA
+MJ091710	Urdamycin G 	C37H46O14	714.288756	NA	MeJP	NA	NA
+C12414	Urdamycin G	C37H46O14	714.2888	NA	KEGG	NA	NA
+PJ020718	ATTEMY 	C30H46N6O12S	714.2895	NA	PeJP	NA	NA
+PJ020719	GVMMMF 	C31H50N6O7S3	714.2903	NA	PeJP	NA	NA
+PJ020720	NQMHW 	C31H42N10O8S	714.2908	NA	PeJP	NA	NA
+PJ020721	SSQQEH 	C27H42N10O13	714.2933	NA	PeJP	NA	NA
+PJ020722	PCCQKH 	C28H46N10O8S2	714.2942	NA	PeJP	NA	NA
+PJ020723	GNNHHH 	C28H38N14O9	714.2947	NA	PeJP	NA	NA
+PJ020724	SPPNDW 	C32H42N8O11	714.2973	NA	PeJP	NA	NA
+PJ020725	SSCQKY 	C29H46N8O11S	714.3007	NA	PeJP	NA	NA
+PJ020726	SPYYW 	C37H42N6O9	714.3013	NA	PeJP	NA	NA
+PJ020727	AEFYW 	C37H42N6O9	714.3014	NA	PeJP	NA	NA
+PJ020728	MMMFR 	C30H50N8O6S3	714.3016	NA	PeJP	NA	NA
+PJ020729	CNHRW 	C30H42N12O7S	714.302	NA	PeJP	NA	NA
+PJ020730	GGCHRW 	C30H42N12O7S	714.3021	NA	PeJP	NA	NA
+MJ091711	1,2,4,6,8,9-Hexahydroxydihydro-?-agarofuran, 1,2,6-Tribenzoyl, 9-(2-Methylbutanoyl) 	C41H46O11	714.304012	NA	MeJP	NA	NA
+PJ020731	SSNDHR 	C26H42N12O12	714.3045	NA	PeJP	NA	NA
+PJ020732	AAPMYY 	C34H46N6O9S	714.3047	NA	PeJP	NA	NA
+PJ020733	TTTTEY 	C30H46N6O14	714.3072	NA	PeJP	NA	NA
+PJ020734	GTLMMY 	C31H50N6O9S2	714.3081	NA	PeJP	NA	NA
+PJ020735	GSTQHW 	C31H42N10O10	714.3086	NA	PeJP	NA	NA
+PJ020736	PPCNER 	C28H46N10O10S	714.3119	NA	PeJP	NA	NA
+PJ020737	GGGGSLMH 	C28H46N10O10S	714.312	NA	PeJP	NA	NA
+PJ020738	PEHFW 	C36H42N8O8	714.3126	NA	PeJP	NA	NA
+PJ020739	LEMHW 	C33H46N8O8S	714.316	NA	PeJP	NA	NA
+PJ020740	GSSSSKY 	C29H46N8O13	714.3185	NA	PeJP	NA	NA
+MJ091712	Bianthrone A2a 	C45H46O8	714.319268	NA	MeJP	NA	NA
+PJ020741	ACCKKY 	C30H50N8O8S2	714.3193	NA	PeJP	NA	NA
+PJ020742	GVEHHH 	C30H42N12O9	714.3198	NA	PeJP	NA	NA
+PJ020743	CLFFW 	C38H46N6O6S	714.32	NA	PeJP	NA	NA
+PJ020744	LQEYY 	C34H46N6O11	714.3225	NA	PeJP	NA	NA
+PJ020745	GSQMHR 	C27H46N12O9S	714.3232	NA	PeJP	NA	NA
+PJ020746	QHHFF 	C35H42N10O7	714.3238	NA	PeJP	NA	NA
+7013	synthetic peptide from alpha-gliadin	PYPQPQPQYSQP	714.325	MH2+	Inhouse_peptide	NA	peptide
+MJ091713	Zaragozic acid C; 4',5'-Dihydro, O-de-Ac 	C38H50O13	714.325141	NA	MeJP	NA	NA
+PJ020747	STTLMY 	C31H50N6O11S	714.3258	NA	PeJP	NA	NA
+PJ020748	PPLEEM 	C31H50N6O11S	714.3259	NA	PeJP	NA	NA
+PJ020749	GPPCRW 	C32H46N10O7S	714.3272	NA	PeJP	NA	NA
+PJ020750	GPQEER 	C28H46N10O12	714.3297	NA	PeJP	NA	NA
+PJ020751	PCCKKH 	C29H50N10O7S2	714.3306	NA	PeJP	NA	NA
+PJ020752	EHHHR 	C29H42N14O8	714.331	NA	PeJP	NA	NA
+MJ091714	Taucorten 	C41H47FN2O8	714.331644	NA	MeJP	NA	NA
+PJ020753	GPVQEW 	C33H46N8O10	714.3337	NA	PeJP	NA	NA
+PJ020754	GSCHRR 	C26H46N14O8S	714.3344	NA	PeJP	NA	NA
+PJ020755	VHHHW 	C34H42N12O6	714.3351	NA	PeJP	NA	NA
+PJ020756	SSCKKY 	C30H50N8O10S	714.3371	NA	PeJP	NA	NA
+PJ020757	ALYYW 	C38H46N6O8	714.3377	NA	PeJP	NA	NA
+MJ091715	Nimbolinin; 7-Cinnamoyl (E-), 1-angeloyl, 3-Ac 	C42H50O10	714.340397	NA	MeJP	NA	NA
+PJ020758	GPDDRR 	C27H46N12O11	714.3409	NA	PeJP	NA	NA
+PJ020759	GGGGGGPTR 	C27H46N12O11	714.341	NA	PeJP	NA	NA
+PJ020760	AALMFY 	C35H50N6O8S	714.3411	NA	PeJP	NA	NA
+7674	ACE inhibitor from b-CN (47-59), mouse	VHSSIQSQPQAFT	714.342	MH2+	Inhouse_peptide	NA	peptide
+3644	stimulating g-interferon production peptide	PQPFPSQQPYLQ	714.3435	MH2+	Inhouse_peptide	NA	peptide
+7010	synthetic peptide from alpha-gliadin	FPQPQLPYSQPQ	714.3435	MH2+	Inhouse_peptide	NA	peptide
+PJ020761	PVLEEE 	C31H50N6O13	714.3436	NA	PeJP	NA	NA
+PJ020762	PQERW 	C32H46N10O9	714.3449	NA	PeJP	NA	NA
+PJ020763	GAPERW 	C32H46N10O9	714.345	NA	PeJP	NA	NA
+MJ091716	3,14,19-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C35H54O15	714.346271	NA	MeJP	NA	NA
+MJ091717	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H54O15	714.346271	NA	MeJP	NA	NA
+MJ091718	3,5,11,14-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C35H54O15	714.346271	NA	MeJP	NA	NA
+MJ091719	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C35H54O15	714.346271	NA	MeJP	NA	NA
+MJ091720	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C35H54O15	714.346271	NA	MeJP	NA	NA
+MJ091721	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H54O15	714.346271	NA	MeJP	NA	NA
+MJ091722	Ornithogalum Substance D 	C35H54O15	714.346271	NA	MeJP	NA	NA
+PJ020764	SPPQMR 	C29H50N10O9S	714.3483	NA	PeJP	NA	NA
+PJ020765	PVQWW 	C37H46N8O7	714.349	NA	PeJP	NA	NA
+MJ091723	Rubiflavin C1 	C41H50N2O9	714.351631	NA	MeJP	NA	NA
+PJ020766	VMFRY 	C34H50N8O7S	714.3523	NA	PeJP	NA	NA
+PJ020767	GPPKMW 	C34H50N8O7S	714.3524	NA	PeJP	NA	NA
+PJ020768	PVNKEE 	C30H50N8O12	714.3548	NA	PeJP	NA	NA
+PJ020769	GGPVKEE 	C30H50N8O12	714.3549	NA	PeJP	NA	NA
+PJ020770	ALLMMH 	C31H54N8O7S2	714.3557	NA	PeJP	NA	NA
+PJ020771	QQHFR 	C31H46N12O8	714.3562	NA	PeJP	NA	NA
+PJ020772	LKEYY 	C35H50N6O10	714.3589	NA	PeJP	NA	NA
+PJ020773	SPPCRR 	C28H50N12O8S	714.3596	NA	PeJP	NA	NA
+PJ020774	APRWW 	C36H46N10O6	714.3602	NA	PeJP	NA	NA
+MJ091724	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-(2-O-Sulfo-?-D-glucopyranoside) 	C36H58O12S	714.364898	NA	MeJP	NA	NA
+MJ091725	3,19-Dihydroxy-12-ursen-28-oic acid, 28-O-?-D-Glucopyranosyl ester, 3-sulfate 	C36H58O12S	714.364898	NA	MeJP	NA	NA
+PJ020775	GPKEER 	C29H50N10O11	714.3661	NA	PeJP	NA	NA
+MJ091726	11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H58O17	714.3674	NA	MeJP	NA	NA
+PJ020776	GPVKEW 	C34H50N8O9	714.3701	NA	PeJP	NA	NA
+MJ091727	Delavaine A 	C38H54N2O11	714.37276	NA	MeJP	NA	NA
+MJ091728	Delavaine B 	C38H54N2O11	714.37276	NA	MeJP	NA	NA
+MJ091729	Delectinine; O18-(2-Acetamidobenzoyl), O14-(2-hydroxy-2-methylbutanoyl) 	C38H54N2O11	714.37276	NA	MeJP	NA	NA
+MJ091730	Puberaconitine; Me ester, O8-Me 	C38H54N2O11	714.37276	NA	MeJP	NA	NA
+C08674	Delavaine A	C38H54N2O11	714.3728	NA	KEGG	NA	NA
+C08706	Septentrionine	C38H54N2O11	714.3728	NA	KEGG	NA	NA
+PJ020777	TTLLMH 	C31H54N8O9S	714.3735	NA	PeJP	NA	NA
+PJ020778	AALFFF 	C39H50N6O7	714.3741	NA	PeJP	NA	NA
+PJ020779	GPTERR 	C28H50N12O10	714.3773	NA	PeJP	NA	NA
+PJ020780	PKERW 	C33H50N10O8	714.3813	NA	PeJP	NA	NA
+PJ020781	SPPKMR 	C30H54N10O8S	714.3847	NA	PeJP	NA	NA
+PJ020782	PVKWW 	C38H50N8O6	714.3854	NA	PeJP	NA	NA
+PJ020783	QQQRR 	C27H50N14O9	714.3885	NA	PeJP	NA	NA
+PJ020784	GAQQRR 	C27H50N14O9	714.3886	NA	PeJP	NA	NA
+MJ091731	Sarcophytoic acid; 7,8-Dihydro, 8?-chloro, Me ester 	C41H59ClO8	714.389846	NA	MeJP	NA	NA
+PJ020785	PVDKKE 	C31H54N8O11	714.3912	NA	PeJP	NA	NA
+PJ020786	AAAAAVLE 	C31H54N8O11	714.3913	NA	PeJP	NA	NA
+PJ020787	PTRRW 	C32H50N12O7	714.3926	NA	PeJP	NA	NA
+PJ020788	PPLLEF 	C36H54N6O9	714.3953	NA	PeJP	NA	NA
+PJ020789	GPVMRR 	C29H54N12O7S	714.396	NA	PeJP	NA	NA
+C11965	Avermectin B1b monosaccharide	C40H58O11	714.3979	NA	KEGG	NA	NA
+MJ091732	Avermectin B1a; 3'-O-De-Me, 4'-O-deglycosyl 	C40H58O11	714.397912	NA	MeJP	NA	NA
+PJ020790	PLLLEM 	C33H58N6O9S	714.3986	NA	PeJP	NA	NA
+PJ020791	NNRRR 	C26H50N16O8	714.3998	NA	PeJP	NA	NA
+PJ020792	SPVKER 	C30H54N10O10	714.4025	NA	PeJP	NA	NA
+PJ020793	APTLKW 	C35H54N8O8	714.4065	NA	PeJP	NA	NA
+PJ020794	PMRRR 	C28H54N14O6S	714.4072	NA	PeJP	NA	NA
+5453	caeridin 6	GLLGFVGSLLGGLGIG	714.4095	MH2+	Inhouse_peptide	NA	peptide
+PJ020795	PVLQKM 	C32H58N8O8S	714.4099	NA	PeJP	NA	NA
+PJ020796	AALERR 	C29H54N12O9	714.4137	NA	PeJP	NA	NA
+PJ020797	VLLLEE 	C33H58N6O11	714.4164	NA	PeJP	NA	NA
+PJ020798	LLQRW 	C34H54N10O7	714.4177	NA	PeJP	NA	NA
+MJ091733	1,3,16,20,24-Pentahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 28-O-?-D-Glucopyranosyl ester 	C37H62O13	714.419042	NA	MeJP	NA	NA
+MJ091734	Cholest-22-ene-3,6,8,15,24-pentol, 3,24-Di-O-?-D-xylopyranoside 	C37H62O13	714.419042	NA	MeJP	NA	NA
+MJ091735	3,5,14-Trihydroxybufa-20,22-dienolide, 3-Suberoylarginine ester 	C38H58N4O9	714.420379	NA	MeJP	NA	NA
+MJ091736	Gamabufotalitoxin 	C38H58N4O9	714.420379	NA	MeJP	NA	NA
+PJ020799	APLKMR 	C31H58N10O7S	714.4211	NA	PeJP	NA	NA
+PJ020800	VERRR 	C28H54N14O8	714.4249	NA	PeJP	NA	NA
+PJ020801	GGAAKRR 	C28H54N14O8	714.425	NA	PeJP	NA	NA
+PJ020802	PTLKKE 	C32H58N8O10	714.4276	NA	PeJP	NA	NA
+PJ020803	VVRRW 	C33H54N12O6	714.429	NA	PeJP	NA	NA
+PJ020804	PPLLLY 	C37H58N6O8	714.4316	NA	PeJP	NA	NA
+MJ091737	Amphidinolide C 	C41H62O10	714.434298	NA	MeJP	NA	NA
+PJ020805	SVLLQR 	C31H58N10O9	714.4388	NA	PeJP	NA	NA
+PJ020806	GLLKER 	C31H58N10O9	714.4389	NA	PeJP	NA	NA
+PJ020807	GVLLKW 	C36H58N8O7	714.4429	NA	PeJP	NA	NA
+PJ020808	PVLKKM 	C33H62N8O7S	714.4463	NA	PeJP	NA	NA
+PJ020809	GTLLRR 	C30H58N12O8	714.4501	NA	PeJP	NA	NA
+PJ020810	LLKRW 	C35H58N10O6	714.4541	NA	PeJP	NA	NA
+MJ091738	Cholestane-3,6,15,24-tetrol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside 	C38H66O12	714.455427	NA	MeJP	NA	NA
+PJ020811	QKKRR 	C29H58N14O7	714.4613	NA	PeJP	NA	NA
+PJ020812	VVLKKE 	C33H62N8O9	714.464	NA	PeJP	NA	NA
+MJ091739	Pseudoargiopinin; Pseudoargiopinin II 	C34H58N12O5	714.465313	NA	MeJP	NA	NA
+PJ020813	PLLLLF 	C38H62N6O7	714.468	NA	PeJP	NA	NA
+PJ020814	LLLLLM 	C35H66N6O7S	714.4714	NA	PeJP	NA	NA
+PJ020815	SVLLKR 	C32H62N10O8	714.4752	NA	PeJP	NA	NA
+PJ020816	GAALKKK 	C32H62N10O8	714.4753	NA	PeJP	NA	NA
+C15940	(2'S)-Deoxymyxol 2'-alpha-L-fucoside	C46H66O6	714.4859	NA	KEGG	NA	NA
+MJ091740	?-Carotene; 3',4'-Didehydro, 1',2'-dihydro, 1'-hydroxy, O-?-D-glucopyranoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+MJ091741	Saproxanthin; 1'-O-Rhamnoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+MJ091742	Zeaxanthin; 13Z-Isomer, 3-O-?-L-rhamnopyranoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+MJ091743	Zeaxanthin; 15Z-Isomer, 3-O-?-L-rhamnopyranoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+MJ091744	Zeaxanthin; 3-O-?-L-Rhamnopyanoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+MJ091745	Zeaxanthin; 9Z-Isomer, 3-O-?-L-rhamnopyranoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+MJ091746	Zeaxanthin; O-?-L-Rhamnopyranoside 	C46H66O6	714.485939	NA	MeJP	NA	NA
+PJ020817	GVKKKR 	C31H62N12O7	714.4865	NA	PeJP	NA	NA
+PJ020818	KKKRR 	C30H62N14O6	714.4977	NA	PeJP	NA	NA
+PJ020819	TLLLKK 	C34H66N8O8	714.5004	NA	PeJP	NA	NA
+PJ020820	ALKKKK 	C33H66N10O7	714.5116	NA	PeJP	NA	NA
+HMDB07730	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H70O5	714.522339	NA	HMDB2010	NA	NA
+HMDB07759	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H70O5	714.522339	NA	HMDB2010	NA	NA
+HMDB07786	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H70O5	714.522339	NA	HMDB2010	NA	NA
+HMDB07787	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H70O5	714.522339	NA	HMDB2010	NA	NA
+EUR1081	SM(d18:1/18:1) [M-H-CH3]-	C41H81N2O6P	714.567576	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1081	SM(d18:1/18:1) [M-H-CH3]-	C41H81N2O6P	714.567576	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1081	SM(d18:1/18:1) [M-H-CH3]-	C41H81N2O6P	714.567576	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1081	SM(d18:1/18:1) [M-H-CH3]-	C41H81N2O6P	714.567576	masses lipides attendues	Inhousejuil11	NA	NA
+MJ091747	Crasserides; 10-Methylhexadecanoylcrasseride 	C42H82O8	714.600969	NA	MeJP	NA	NA
+C13744	3'-O-(4-Benzoyl)benzoyl ATP	C24H24N5O15P3	715.0482	NA	KEGG	NA	NA
+PJ020821	GCCCCNN 	C22H37N9O10S4	715.1546	NA	PeJP	NA	NA
+PJ020822	GGGCCCCN 	C22H37N9O10S4	715.1547	NA	PeJP	NA	NA
+PJ020823	GSCCCDE 	C23H37N7O13S3	715.1612	NA	PeJP	NA	NA
+PJ020824	GPCCCCM 	C24H41N7O8S5	715.1621	NA	PeJP	NA	NA
+HMDB01260	ADP-Ribosyl-L-arginine	C21H35N9O15P2	715.17279	http://www.hmdb.ca/metabolites/HMDB01260	HMDB	NA	NA
+HMDB01260	ADP-Ribosyl-L-arginine	C21H35N9O15P2	715.17279	HMDB01260	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01260	ADP-Ribosyl-L-arginine	C21H35N9O15P2	715.172791	NA	HMDB2010	NA	NA
+C01201	N(omega)-(ADP-D-ribosyl)-L-arginine	C21H35N9O15P2	715.1728	NA	KEGG	NA	NA
+C01203	Oleoyl-[acyl-carrier protein]	C18H33OSR	715.1728	NA	KEGG	NA	NA
+PJ020825	SCCCDW 	C27H37N7O10S3	715.1764	NA	PeJP	NA	NA
+PJ020826	SSSCCDD 	C23H37N7O15S2	715.1789	NA	PeJP	NA	NA
+PJ020827	CCNDMM 	C24H41N7O10S4	715.1798	NA	PeJP	NA	NA
+PJ020828	CCCCER 	C23H41N9O9S4	715.191	NA	PeJP	NA	NA
+PJ020829	CCNDDF 	C27H37N7O12S2	715.1942	NA	PeJP	NA	NA
+PJ020830	ACCCMW 	C28H41N7O7S4	715.1951	NA	PeJP	NA	NA
+PJ020831	GSSCCEM 	C24H41N7O12S3	715.1976	NA	PeJP	NA	NA
+PJ020832	CCCNHH 	C25H37N11O8S3	715.1989	NA	PeJP	NA	NA
+PJ020833	SCNDDY 	C27H37N7O14S	715.2119	NA	PeJP	NA	NA
+PJ020834	GGSCDDY 	C27H37N7O14S	715.212	NA	PeJP	NA	NA
+PJ020835	SSCCMW 	C28H41N7O9S3	715.2128	NA	PeJP	NA	NA
+PJ020836	SSSSCDM 	C24H41N7O14S2	715.2153	NA	PeJP	NA	NA
+PJ020837	SCNMMM 	C25H45N7O9S4	715.2162	NA	PeJP	NA	NA
+PJ020838	GPPCCCH 	C27H41N9O8S3	715.2241	NA	PeJP	NA	NA
+PJ020839	TCCCMR 	C24H45N9O8S4	715.2274	NA	PeJP	NA	NA
+PJ020840	GCNEMY 	C28H41N7O11S2	715.2306	NA	PeJP	NA	NA
+PJ020841	GSSTCMM 	C25H45N7O11S3	715.2339	NA	PeJP	NA	NA
+PJ020842	CNNNDH 	C25H37N11O12S	715.2344	NA	PeJP	NA	NA
+PJ020843	SNDDEH 	C26H37N9O15	715.2409	NA	PeJP	NA	NA
+PJ020844	GGSDDEH 	C26H37N9O15	715.241	NA	PeJP	NA	NA
+PJ020845	GCCDRY 	C27H41N9O10S2	715.2418	NA	PeJP	NA	NA
+PJ020846	CNMYW 	C32H41N7O8S2	715.2458	NA	PeJP	NA	NA
+PJ020847	SSNDMY 	C28H41N7O13S	715.2483	NA	PeJP	NA	NA
+PJ020848	PCCCKY 	C29H45N7O8S3	715.2492	NA	PeJP	NA	NA
+PJ020849	SSSSSMM 	C25H45N7O13S2	715.2517	NA	PeJP	NA	NA
+PJ020850	TCCKMM 	C26H49N7O8S4	715.2526	NA	PeJP	NA	NA
+MJ091748	Enacyloxin IIa; 13'-Me ether 	C34H47Cl2NO11	715.252616	NA	MeJP	NA	NA
+PJ020851	GSDDHW 	C30H37N9O12	715.2562	NA	PeJP	NA	NA
+PJ020852	APCCHW 	C31H41N9O7S2	715.2571	NA	PeJP	NA	NA
+PJ020853	GNEEMH 	C27H41N9O12S	715.2596	NA	PeJP	NA	NA
+PJ020854	GCCMFR 	C28H45N9O7S3	715.2604	NA	PeJP	NA	NA
+PJ020855	GSTCYW 	C32H41N7O10S	715.2636	NA	PeJP	NA	NA
+PJ020856	GSSSSEY 	C28H41N7O15	715.2661	NA	PeJP	NA	NA
+PJ020857	ATCQMY 	C29H45N7O10S2	715.2669	NA	PeJP	NA	NA
+PJ020858	GSQMMY 	C29H45N7O10S2	715.267	NA	PeJP	NA	NA
+PJ020859	EEEFY 	C33H41N5O13	715.2701	NA	PeJP	NA	NA
+PJ020860	GCDEHR 	C26H41N11O11S	715.2708	NA	PeJP	NA	NA
+PJ020861	NEMHW 	C31H41N9O9S	715.2748	NA	PeJP	NA	NA
+PJ020862	SSQEEH 	C27H41N9O14	715.2773	NA	PeJP	NA	NA
+PJ020863	GGGGGGPEE 	C27H41N9O14	715.2774	NA	PeJP	NA	NA
+PJ020864	GSCMRY 	C28H45N9O9S2	715.2782	NA	PeJP	NA	NA
+PJ020865	GNDHHH 	C28H37N13O10	715.2787	NA	PeJP	NA	NA
+PJ020866	CNFFW 	C36H41N7O7S	715.2788	NA	PeJP	NA	NA
+PJ020867	GGCFFW 	C36H41N7O7S	715.2789	NA	PeJP	NA	NA
+PJ020868	SSSSYW 	C32H41N7O12	715.2813	NA	PeJP	NA	NA
+PJ020869	SPPDDW 	C32H41N7O12	715.2814	NA	PeJP	NA	NA
+MJ091749	Antibiotic SN 706 	C36H45NO14	715.284005	NA	MeJP	NA	NA
+MJ091750	Epelmycin C 	C36H45NO14	715.284005	NA	MeJP	NA	NA
+MJ091751	Musettamycin 	C36H45NO14	715.284005	NA	MeJP	NA	NA
+MJ091752	Respinomycin A1; 4'-De-O-glycosyl 	C36H45NO14	715.284005	NA	MeJP	NA	NA
+PJ020870	SSTQMY 	C29H45N7O12S	715.2847	NA	PeJP	NA	NA
+PJ020871	GCKMMF 	C30H49N7O7S3	715.2856	NA	PeJP	NA	NA
+PJ020872	CDHRW 	C30H41N11O8S	715.2861	NA	PeJP	NA	NA
+PJ020873	SSDDHR 	C26H41N11O13	715.2886	NA	PeJP	NA	NA
+PJ020874	PTCCHR 	C27H45N11O8S2	715.2894	NA	PeJP	NA	NA
+PJ020875	GMHWW 	C35H41N9O6S	715.2901	NA	PeJP	NA	NA
+PJ020876	GSTEHW 	C31H41N9O11	715.2926	NA	PeJP	NA	NA
+PJ020877	SSTCRY 	C28H45N9O11S	715.2959	NA	PeJP	NA	NA
+MJ091753	Cephabacin H; Cephabacin H4, 28-Deoxy, N27-L-alanyl 	C28H45N9O11S	715.295924	NA	MeJP	NA	NA
+PJ020878	PPCDER 	C28H45N9O11S	715.296	NA	PeJP	NA	NA
+PJ020879	GQYYW 	C36H41N7O9	715.2966	NA	PeJP	NA	NA
+PJ020880	GPPEMW 	C33H45N7O9S	715.3	NA	PeJP	NA	NA
+PJ020881	GSSTTTY 	C29H45N7O14	715.3025	NA	PeJP	NA	NA
+PJ020882	GSKMMY 	C30H49N7O9S2	715.3033	NA	PeJP	NA	NA
+PJ020883	PPPVTCC 	C30H49N7O9S2	715.3034	NA	PeJP	NA	NA
+PJ020884	GNNQHF 	C30H41N11O10	715.3038	NA	PeJP	NA	NA
+PJ020885	LEEYY 	C34H45N5O12	715.3065	NA	PeJP	NA	NA
+PJ020886	GSEMHR 	C27H45N11O10S	715.3072	NA	PeJP	NA	NA
+PJ020887	STHWW 	C35H41N9O8	715.3078	NA	PeJP	NA	NA
+PJ020888	DKMHW 	C32H45N9O8S	715.3112	NA	PeJP	NA	NA
+PJ020889	GPEEER 	C28H45N9O13	715.3137	NA	PeJP	NA	NA
+PJ020890	GLQMMH 	C29H49N9O8S2	715.3146	NA	PeJP	NA	NA
+PJ020891	ASQHHH 	C29H41N13O9	715.315	NA	PeJP	NA	NA
+PJ020892	GTQHHH 	C29H41N13O9	715.3151	NA	PeJP	NA	NA
+PJ020893	PPMWW 	C37H45N7O6S	715.3152	NA	PeJP	NA	NA
+PJ020894	GPVEEW 	C33H45N7O11	715.3177	NA	PeJP	NA	NA
+3629	NA	YPFGFS~	715.32	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ091754	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2-(3-Pyridinecarbonyl), 5-(2-methylbutanoyl), 7,8,9-tri-Ac 	C37H49NO13	715.32039	NA	MeJP	NA	NA
+PJ020895	SSTKMY 	C30H49N7O11S	715.3211	NA	PeJP	NA	NA
+PJ020896	SMHRW 	C31H45N11O7S	715.3224	NA	PeJP	NA	NA
+PJ020897	GPCHFR 	C31H45N11O7S	715.3225	NA	PeJP	NA	NA
+PJ020898	SSTEHR 	C27H45N11O12	715.3249	NA	PeJP	NA	NA
+PJ020899	GGGGSPER 	C27H45N11O12	715.325	NA	PeJP	NA	NA
+PJ020900	AAMMHR 	C28H49N11O7S2	715.3258	NA	PeJP	NA	NA
+PJ020901	PEERW 	C32H45N9O10	715.329	NA	PeJP	NA	NA
+PJ020902	SPPEMR 	C29H49N9O10S	715.3323	NA	PeJP	NA	NA
+PJ020903	GGGGPLQM 	C29H49N9O10S	715.3324	NA	PeJP	NA	NA
+PJ020904	PVEWW 	C37H45N7O8	715.333	NA	PeJP	NA	NA
+PJ020905	GNNQQR 	C26H45N13O11	715.3362	NA	PeJP	NA	NA
+PJ020906	QKMFY 	C34H49N7O8S	715.3363	NA	PeJP	NA	NA
+PJ020907	SPPVMW 	C34H49N7O8S	715.3364	NA	PeJP	NA	NA
+MJ091755	Jubanine B; N-De-Me 	C42H45N5O6	715.336984	NA	MeJP	NA	NA
+MJ091756	Nummularine O 	C42H45N5O6	715.336984	NA	MeJP	NA	NA
+PJ020908	PVDKEE 	C30H49N7O13	715.3389	NA	PeJP	NA	NA
+PJ020909	PPLQMM 	C31H53N7O8S2	715.3397	NA	PeJP	NA	NA
+PJ020910	GSPNRW 	C31H45N11O9	715.3402	NA	PeJP	NA	NA
+PJ020911	ATTMHR 	C28H49N11O9S	715.3436	NA	PeJP	NA	NA
+PJ020912	VQHFW 	C36H45N9O7	715.3442	NA	PeJP	NA	NA
+PJ020913	CKFRY 	C33H49N9O7S	715.3476	NA	PeJP	NA	NA
+3468	analogue of fibronectin	GRGDSPK	715.3479	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ020914	SPVEER 	C29H49N9O12	715.3501	NA	PeJP	NA	NA
+PJ020915	PPCLMR 	C30H53N9O7S2	715.351	NA	PeJP	NA	NA
+PJ020916	GTKHHH 	C30H45N13O8	715.3514	NA	PeJP	NA	NA
+PJ020917	APTLEW 	C34H49N7O10	715.3541	NA	PeJP	NA	NA
+PJ020918	GPCQRR 	C27H49N13O8S	715.3548	NA	PeJP	NA	NA
+PJ020919	AHFRW 	C35H45N11O6	715.3555	NA	PeJP	NA	NA
+MJ091757	Germine; O15-(3,4-Dimethoxybenzoyl), O3-Ac 	C38H53NO12	715.356776	NA	MeJP	NA	NA
+PJ020920	PVLQEM 	C31H53N7O10S	715.3575	NA	PeJP	NA	NA
+PJ020921	TTTTHR 	C28H49N11O11	715.3613	NA	PeJP	NA	NA
+PJ020922	GGGGALER 	C28H49N11O11	715.3614	NA	PeJP	NA	NA
+PJ020923	GPTQKW 	C33H49N9O9	715.3653	NA	PeJP	NA	NA
+PJ020924	ASPQKW 	C33H49N9O9	715.3654	NA	PeJP	NA	NA
+PJ020925	APLEMR 	C30H53N9O9S	715.3687	NA	PeJP	NA	NA
+PJ020926	GPPLFW 	C38H49N7O7	715.3694	NA	PeJP	NA	NA
+MJ091758	11(15?1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol, 5-(3-Dimethylamino-3-phenylpropanoyl), 10-benzoyl, 9,13-di-Ac 	C42H53NO9	715.372032	NA	MeJP	NA	NA
+PJ020927	QQERR 	C27H49N13O10	715.3726	NA	PeJP	NA	NA
+PJ020928	KKMFY 	C35H53N7O7S	715.3727	NA	PeJP	NA	NA
+PJ020929	GPLLMW 	C35H53N7O7S	715.3728	NA	PeJP	NA	NA
+PJ020930	LLLNDE 	C31H53N7O12	715.3752	NA	PeJP	NA	NA
+PJ020931	PTLKEE 	C31H53N7O12	715.3753	NA	PeJP	NA	NA
+PJ020932	PPLKMM 	C32H57N7O7S2	715.3761	NA	PeJP	NA	NA
+PJ020933	VQQRW 	C32H49N11O8	715.3766	NA	PeJP	NA	NA
+3808	peptide from soybean b-conglycinin (Glycine max)	VIPAGYP	715.377	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ091759	Amamistatin A; Demethoxy 	C36H53N5O10	715.379242	NA	MeJP	NA	NA
+PJ020934	GPQKMR 	C29H53N11O8S	715.38	NA	PeJP	NA	NA
+PJ020935	VKHFW 	C37H49N9O6	715.3806	NA	PeJP	NA	NA
+PJ020936	NDRRR 	C26H49N15O9	715.3838	NA	PeJP	NA	NA
+PJ020937	GLLEER 	C30H53N9O11	715.3865	NA	PeJP	NA	NA
+PJ020938	AQRRW 	C31H49N13O7	715.3878	NA	PeJP	NA	NA
+PJ020939	GVLLEW 	C35H53N7O9	715.3905	NA	PeJP	NA	NA
+PJ020940	GPCKRR 	C28H53N13O7S	715.3912	NA	PeJP	NA	NA
+MJ091760	Germine; O3,O15-Diangeloyl, 7-Ac 	C39H57NO11	715.393161	NA	MeJP	NA	NA
+PJ020941	PVLKEM 	C32H57N7O9S	715.3939	NA	PeJP	NA	NA
+MJ091761	Exumolide A; N-De-Me 	C40H53N5O7	715.394499	NA	MeJP	NA	NA
+PJ020942	GVQKER 	C29H53N11O10	715.3977	NA	PeJP	NA	NA
+PJ020943	LLERW 	C34H53N9O8	715.4017	NA	PeJP	NA	NA
+PJ020944	GGGVLKW 	C34H53N9O8	715.4018	NA	PeJP	NA	NA
+PJ020945	SPLLMR 	C31H57N9O8S	715.4051	NA	PeJP	NA	NA
+PJ020946	VLLWW 	C39H53N7O6	715.4058	NA	PeJP	NA	NA
+PJ020947	QKERR 	C28H53N13O9	715.4089	NA	PeJP	NA	NA
+PJ020948	GAKERR 	C28H53N13O9	715.409	NA	PeJP	NA	NA
+PJ020949	VVLKEE 	C32H57N7O11	715.4116	NA	PeJP	NA	NA
+PJ020950	VQKRW 	C33H53N11O7	715.413	NA	PeJP	NA	NA
+MJ091762	Glycylmethionylglycylalanylleucylarginylleucine; Amide 	C30H57N11O7S	715.416313	NA	MeJP	NA	NA
+PJ020951	GPKKMR 	C30H57N11O7S	715.4164	NA	PeJP	NA	NA
+PJ020952	TQRRR 	C27H53N15O8	715.4202	NA	PeJP	NA	NA
+PJ020953	SVLLER 	C31H57N9O10	715.4229	NA	PeJP	NA	NA
+PJ020954	AKRRW 	C32H53N13O6	715.4242	NA	PeJP	NA	NA
+PJ020955	ATLLLW 	C36H57N7O8	715.4269	NA	PeJP	NA	NA
+PJ020956	VLLLQM 	C33H61N7O8S	715.4303	NA	PeJP	NA	NA
+PJ020957	GVKKER 	C30H57N11O9	715.4341	NA	PeJP	NA	NA
+MJ091763	Antibiotic SUAM 20010; 1-Me ester 	C34H61N5O11	715.436757	NA	MeJP	NA	NA
+PJ020958	AALKKW 	C35H57N9O7	715.4381	NA	PeJP	NA	NA
+PJ020959	ALLLMR 	C32H61N9O7S	715.4415	NA	PeJP	NA	NA
+PJ020960	KKERR 	C29H57N13O8	715.4453	NA	PeJP	NA	NA
+3961	f(165-170) of ovine alpha s2-casein	LKKISQ	715.446	ACE inhibitor	Inhouse_peptide	NA	peptide
+8179	peptide derived from ovine aS2-casein (165û170)	LKKISQ	715.446	antibacterial	Inhouse_peptide	NA	peptide
+C18139	2,2',3,3',4',5,6'-Heptabromodiphenyl ether	C12H3Br7O	715.4468	NA	KEGG	NA	NA
+C18140	2,2',3,4,4',5',6-Heptabromodiphenyl ether	C12H3Br7O	715.4468	NA	KEGG	NA	NA
+PJ020961	TLLLKE 	C33H61N7O10	715.448	NA	PeJP	NA	NA
+PJ020962	VKKRW 	C34H57N11O6	715.4494	NA	PeJP	NA	NA
+PJ020963	TKRRR 	C28H57N15O7	715.4566	NA	PeJP	NA	NA
+PJ020964	TTLLLR 	C32H61N9O9	715.4593	NA	PeJP	NA	NA
+PJ020965	PVLLKF 	C37H61N7O7	715.4633	NA	PeJP	NA	NA
+PJ020966	VLLLKM 	C34H65N7O7S	715.4667	NA	PeJP	NA	NA
+PJ020967	ATLKKR 	C31H61N11O8	715.4705	NA	PeJP	NA	NA
+PJ020968	SLLKKK 	C33H65N9O8	715.4956	NA	PeJP	NA	NA
+PJ020969	GKKKKK 	C32H65N11O7	715.5069	NA	PeJP	NA	NA
+HMDB08835	PE(14:0/20:2(11Z,14Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB08867	PE(14:1(9Z)/20:1(11Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB08928	PE(16:0/18:2(9Z,12Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB08959	PE(16:1(9Z)/18:1(11Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB08960	PE(16:1(9Z)/18:1(9Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB09023	PE(18:1(11Z)/16:1(9Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB09056	PE(18:1(9Z)/16:1(9Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB09088	PE(18:2(9Z,12Z)/16:0)	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB09251	PE(20:1(11Z)/14:1(9Z))	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB09283	PE(20:2(11Z,14Z)/14:0)	C39H74NO8P	715.515198	NA	HMDB2010	NA	NA
+HMDB05322	GPEtn(16:0/18:2(9Z,12Z))	C39H74NO8P	715.5152	http://www.hmdb.ca/metabolites/HMDB05322	HMDB	NA	NA
+HMDB05322	GPEtn(16:0/18:2(9Z,12Z))	C39H74NO8P	715.5152	HMDB05322	PFEM_hmdb_metabocards_official	NA	NA
+EUR936	PC 32:2 [M-H-CH3]-	C40H76NO8P	715.515207	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR936	PC 32:2 [M-H-CH3]-	C40H76NO8P	715.515207	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR936	PC 32:2 [M-H-CH3]-	C40H76NO8P	715.515207	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR936	PC 32:2 [M-H-CH3]-	C40H76NO8P	715.515207	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07897	PC(14:0/P-18:1(11Z))	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB07898	PC(14:0/P-18:1(9Z))	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB07929	PC(14:1(9Z)/P-18:0)	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB08027	PC(16:1(9Z)/P-16:0)	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB11207	PC(P-16:0/16:1(9Z))	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB11237	PC(P-18:0/14:1(9Z))	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB11269	PC(P-18:1(11Z)/14:0)	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB11302	PC(P-18:1(9Z)/14:0)	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+HMDB13411	PC(o-16:1(9Z)/16:1(9Z))	C40H78NO7P	715.551575	NA	HMDB2010	NA	NA
+MJ091764	2-Amino-4-octadecene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C40H77NO9	715.559833	NA	MeJP	NA	NA
+MJ091765	2-Amino-8-octadecene-1,3,4-triol, N-Hexadecanoyl, 1-O-?-D-glucopyranoside 	C40H77NO9	715.559833	NA	MeJP	NA	NA
+MJ091766	Schizotenuin A 	C36H28O16	716.137734	NA	MeJP	NA	NA
+MJ091767	Theaflavin; 3'-Epimer, 3-O-(3,4,5-trihydroxybenzoyl) 	C36H28O16	716.137734	NA	MeJP	NA	NA
+MJ091768	Theaflavin; 3'-O-(3,4,5-Trihydroxybenzoyl) 	C36H28O16	716.137734	NA	MeJP	NA	NA
+MJ091769	Theaflavin; 3-Epimer, 3'-O-(3,4,5-trihydroxybenzoyl) 	C36H28O16	716.137734	NA	MeJP	NA	NA
+MJ091770	Theaflavin; 3-O-(3,4,5-Trihydroxybenzoyl) 	C36H28O16	716.137734	NA	MeJP	NA	NA
+HMDB05786	Theaflavin-3-gallate	C36H28O16	716.137756	NA	HMDB2010	NA	NA
+HMDB05786	Theaflavin-3-gallate	C36H28O16	716.13776	http://www.hmdb.ca/metabolites/HMDB05786	HMDB	NA	NA
+HMDB05786	Theaflavin-3-gallate	C36H28O16	716.13776	HMDB05786	PFEM_hmdb_metabocards_official	NA	NA
+PJ020970	GCCCCND 	C22H36N8O11S4	716.1387	NA	PeJP	NA	NA
+PJ020971	CCDDMM 	C24H40N6O11S4	716.1638	NA	PeJP	NA	NA
+MJ091771	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(1-Hydroxy-6-oxo-2-cyclohexene-1-carboxylate) 	C37H32O15	716.17412	NA	MeJP	NA	NA
+PJ020972	ASCCCCQ 	C23H40N8O10S4	716.175	NA	PeJP	NA	NA
+PJ020973	GSCCCNM 	C23H40N8O10S4	716.1751	NA	PeJP	NA	NA
+PJ020974	CCDDDF 	C27H36N6O13S2	716.1782	NA	PeJP	NA	NA
+PJ020975	CCCDHH 	C25H36N10O9S3	716.1829	NA	PeJP	NA	NA
+PJ020976	SSSCCCQ 	C23H40N8O12S3	716.1928	NA	PeJP	NA	NA
+PJ020977	SCDDDY 	C27H36N6O15S	716.196	NA	PeJP	NA	NA
+PJ020978	PCCCEY 	C28H40N6O10S3	716.1968	NA	PeJP	NA	NA
+PJ020979	SCDMMM 	C25H44N6O10S4	716.2002	NA	PeJP	NA	NA
+PJ020980	CCCNQF 	C27H40N8O9S3	716.2081	NA	PeJP	NA	NA
+PJ020981	GSSSSSCC 	C23H40N8O14S2	716.2106	NA	PeJP	NA	NA
+PJ020982	GTCCCCK 	C24H44N8O9S4	716.2114	NA	PeJP	NA	NA
+PJ020983	GCDEMY 	C28H40N6O12S2	716.2146	NA	PeJP	NA	NA
+PJ020984	CNNDDH 	C25H36N10O13S	716.2184	NA	PeJP	NA	NA
+PJ020985	GGGGCDDH 	C25H36N10O13S	716.2185	NA	PeJP	NA	NA
+PJ020986	ACMMMM 	C26H48N6O7S5	716.2188	NA	PeJP	NA	NA
+PJ020987	SCCMHH 	C26H40N10O8S3	716.2193	NA	PeJP	NA	NA
+PJ020988	SDDDEH 	C26H36N8O16	716.225	NA	PeJP	NA	NA
+PJ020989	SCCNQY 	C27H40N8O11S2	716.2258	NA	PeJP	NA	NA
+PJ020990	SSSCCCK 	C24H44N8O11S3	716.2292	NA	PeJP	NA	NA
+PJ020991	CDMYW 	C32H40N6O9S2	716.2298	NA	PeJP	NA	NA
+MJ091772	Catalpol; 6-O-(2,3-Di-O-benzoyl-?-L-rhamnopyranoside) 	C35H40O16	716.231635	NA	MeJP	NA	NA
+MJ091773	Catalpol; 6-O-(2,4-Di-O-benzoyl-?-L-rhamnopyranoside) 	C35H40O16	716.231635	NA	MeJP	NA	NA
+MJ091774	Catalpol; 6-O-(3,4-Di-O-benzoyl-?-L-rhamnopyranoside) 	C35H40O16	716.231635	NA	MeJP	NA	NA
+PJ020992	SSDDMY 	C28H40N6O14S	716.2323	NA	PeJP	NA	NA
+PJ020993	PTCCMY 	C29H44N6O9S3	716.2332	NA	PeJP	NA	NA
+PJ020994	SSMMMM 	C26H48N6O9S4	716.2366	NA	PeJP	NA	NA
+PJ020995	GSPCCNH 	C26H40N10O10S2	716.2371	NA	PeJP	NA	NA
+PJ020996	GSSSCNY 	C27H40N8O13S	716.2436	NA	PeJP	NA	NA
+PJ020997	CCCNKF 	C28H44N8O8S3	716.2444	NA	PeJP	NA	NA
+PJ020998	GGCCCKF 	C28H44N8O8S3	716.2445	NA	PeJP	NA	NA
+PJ020999	GPCDYY 	C32H40N6O11S	716.2476	NA	PeJP	NA	NA
+PJ021000	CMMFW 	C33H44N6O6S3	716.2485	NA	PeJP	NA	NA
+PJ021001	GSEMMY 	C29H44N6O11S2	716.251	NA	PeJP	NA	NA
+PJ021002	ACCHHF 	C30H40N10O7S2	716.2523	NA	PeJP	NA	NA
+MJ091775	Lisianthioside 	C32H44O18	716.252764	NA	MeJP	NA	NA
+PJ021003	SNNDMH 	C26H40N10O12S	716.2548	NA	PeJP	NA	NA
+PJ021004	DEMHW 	C31H40N8O10S	716.2588	NA	PeJP	NA	NA
+PJ021005	GGGGGCFY 	C31H40N8O10S	716.2589	NA	PeJP	NA	NA
+MJ091776	Aeruginosin 89B 	C30H45ClN6O10S	716.26064	NA	MeJP	NA	NA
+PJ021006	SSEEEH 	C27H40N8O15	716.2613	NA	PeJP	NA	NA
+PJ021007	GGPNDEE 	C27H40N8O15	716.2614	NA	PeJP	NA	NA
+PJ021008	SCCNKY 	C28H44N8O10S2	716.2622	NA	PeJP	NA	NA
+PJ021009	GDDHHH 	C28H36N12O11	716.2627	NA	PeJP	NA	NA
+PJ021010	CDFFW 	C36H40N6O8S	716.2629	NA	PeJP	NA	NA
+PJ021011	NEEYY 	C32H40N6O13	716.2653	NA	PeJP	NA	NA
+PJ021012	GGEEYY 	C32H40N6O13	716.2654	NA	PeJP	NA	NA
+PJ021013	SMMYW 	C33H44N6O8S2	716.2662	NA	PeJP	NA	NA
+PJ021014	SSTEMY 	C29H44N6O13S	716.2687	NA	PeJP	NA	NA
+PJ021015	AAMMMY 	C30H48N6O8S3	716.2696	NA	PeJP	NA	NA
+PJ021016	GSCQHW 	C30H40N10O9S	716.2701	NA	PeJP	NA	NA
+PJ021017	GSSSNEH 	C26H40N10O14	716.2726	NA	PeJP	NA	NA
+PJ021018	GNQMMH 	C27H44N10O9S2	716.2734	NA	PeJP	NA	NA
+PJ021019	GGGQMMH 	C27H44N10O9S2	716.2735	NA	PeJP	NA	NA
+PJ021020	GPNDEW 	C31H40N8O12	716.2766	NA	PeJP	NA	NA
+PJ021021	ATEEMH 	C28H44N8O12S	716.28	NA	PeJP	NA	NA
+PJ021022	GEYYW 	C36H40N6O10	716.2806	NA	PeJP	NA	NA
+PJ021023	APMMMH 	C29H48N8O7S3	716.2808	NA	PeJP	NA	NA
+PJ021024	SPCHHH 	C29H40N12O8S	716.2813	NA	PeJP	NA	NA
+MJ091777	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 13E-cinnamoyl, 2-benzoyl, 4,10-di-Ac 	C40H44O12	716.283276	NA	MeJP	NA	NA
+MJ091778	Herpetetrol 	C40H44O12	716.283276	NA	MeJP	NA	NA
+MJ091779	Mayotolide A 	C40H44O12	716.283276	NA	MeJP	NA	NA
+MJ091780	Taxol?; 13-Deacyl, 13-cinnamoyl(E-) 	C40H44O12	716.283276	NA	MeJP	NA	NA
+PJ021025	NNNNNQ 	C25H40N12O13	716.2838	NA	PeJP	NA	NA
+PJ021026	GGGGGGGGGGGA 	C25H40N12O13	716.2839	NA	PeJP	NA	NA
+PJ021027	GSPMYY 	C33H44N6O10S	716.284	NA	PeJP	NA	NA
+PJ021028	GCNMHR 	C26H44N12O8S2	716.2847	NA	PeJP	NA	NA
+PJ021029	PVDEEE 	C29H44N6O15	716.2865	NA	PeJP	NA	NA
+PJ021030	ATTMMY 	C30H48N6O10S2	716.2873	NA	PeJP	NA	NA
+PJ021031	SSVMMY 	C30H48N6O10S2	716.2874	NA	PeJP	NA	NA
+PJ021032	SSSNHW 	C30H40N10O11	716.2878	NA	PeJP	NA	NA
+PJ021033	GGGGGEHF 	C30H40N10O11	716.2879	NA	PeJP	NA	NA
+PJ021034	SSQQMH 	C27H44N10O11S	716.2912	NA	PeJP	NA	NA
+PJ021035	PNDWW 	C35H40N8O9	716.2919	NA	PeJP	NA	NA
+MJ091781	24,25,26,26-Tetramethylcholestane-2,3,6-triol, Trisulfate 	C31H56O12S3	716.293389	NA	MeJP	NA	NA
+PJ021036	SPPCQW 	C32H44N8O9S	716.2952	NA	PeJP	NA	NA
+PJ021037	YYWW 	C40H40N6O7	716.2959	NA	PeJP	NA	NA
+PJ021038	TTTEEH 	C28H44N8O14	716.2977	NA	PeJP	NA	NA
+MJ091782	Mulberrofuran T 	C44H44O9	716.298533	NA	MeJP	NA	NA
+PJ021039	GLEMMH 	C29H48N8O9S2	716.2986	NA	PeJP	NA	NA
+PJ021040	GTEHHH 	C29H40N12O10	716.2991	NA	PeJP	NA	NA
+PJ021041	AMFYW 	C37H44N6O7S	716.2992	NA	PeJP	NA	NA
+PJ021042	GPCFFF 	C37H44N6O7S	716.2993	NA	PeJP	NA	NA
+PJ021043	DKEYY 	C33H44N6O12	716.3017	NA	PeJP	NA	NA
+PJ021044	PPPDEY 	C33H44N6O12	716.3018	NA	PeJP	NA	NA
+PJ021045	SSCQHR 	C26H44N12O10S	716.3024	NA	PeJP	NA	NA
+PJ021046	GGGGPCNR 	C26H44N12O10S	716.3025	NA	PeJP	NA	NA
+PJ021047	AAMMFF 	C34H48N6O7S2	716.3026	NA	PeJP	NA	NA
+PJ021048	NNHFW 	C34H40N10O8	716.3031	NA	PeJP	NA	NA
+MJ091783	11(15?1)-Abeo-2,5,9,10,15-pentahydroxy-4(20),11-taxadien-13-one, 10-Benzoyl, 5-O-?-D-glucopyranosyl, 2,9-di-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091784	11-Taxen-2,4,5,7,9,10,13,20-octol, 2-Benzoyl, 5,7,9,10,13-penta-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091785	11-Taxen-2,4,5,7,9,10,13,20-octol, 2-Benzoyl, 7,9,10,13,20-penta-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091786	11-Taxen-2,4,5,7,9,10,13,20-octol, 20-Benzoyl, 5,7,9,10,13-penta-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091787	6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 3-Benzoyl, 2,5,7,9,14-penta-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091788	Rohituka 8 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091789	Trichilin B; 12-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+MJ091790	Trichilin B; 12-Epimer, 7-Ac 	C37H48O14	716.304406	NA	MeJP	NA	NA
+PJ021049	TTTTMY 	C30H48N6O12S	716.3051	NA	PeJP	NA	NA
+PJ021050	GSCKHW 	C31H44N10O8S	716.3065	NA	PeJP	NA	NA
+PJ021051	ASSSTQH 	C27H44N10O13	716.3089	NA	PeJP	NA	NA
+PJ021052	SPNDER 	C27H44N10O13	716.309	NA	PeJP	NA	NA
+PJ021053	PPCNMR 	C28H48N10O8S2	716.3098	NA	PeJP	NA	NA
+PJ021054	PMHFW 	C36H44N8O6S	716.3105	NA	PeJP	NA	NA
+PJ021055	GPTQEW 	C32H44N8O11	716.313	NA	PeJP	NA	NA
+PJ021056	LMMHW 	C33H48N8O6S2	716.3138	NA	PeJP	NA	NA
+PJ021057	THHHW 	C33H40N12O7	716.3143	NA	PeJP	NA	NA
+MJ091791	Isorhodomycin A 	C36H48N2O13	716.315639	NA	MeJP	NA	NA
+PJ021058	STLEMH 	C29H48N8O11S	716.3163	NA	PeJP	NA	NA
+PJ021059	VTTEMH 	C29H48N8O11S	716.3164	NA	PeJP	NA	NA
+PJ021060	SVYYW 	C37H44N6O9	716.317	NA	PeJP	NA	NA
+PJ021061	GVMHHH 	C30H44N12O7S	716.3177	NA	PeJP	NA	NA
+MJ091792	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, tetrabenzyl 	C41H48O11	716.319662	NA	MeJP	NA	NA
+MJ091793	Manassantin B 	C41H48O11	716.319662	NA	MeJP	NA	NA
+PJ021062	GSSSSHR 	C26H44N12O12	716.3202	NA	PeJP	NA	NA
+PJ021063	LQMYY 	C34H48N6O9S	716.3204	NA	PeJP	NA	NA
+MJ091794	Tenuiphylline 	C42H44N4O7	716.320999	NA	MeJP	NA	NA
+PJ021064	ACCKHR 	C27H48N12O7S2	716.3211	NA	PeJP	NA	NA
+PJ021065	PTLEEE 	C30H48N6O14	716.3229	NA	PeJP	NA	NA
+PJ021066	PPLEMM 	C31H52N6O9S2	716.3238	NA	PeJP	NA	NA
+PJ021067	GSPDRW 	C31H44N10O10	716.3242	NA	PeJP	NA	NA
+PJ021068	GPQEMR 	C28H48N10O10S	716.3276	NA	PeJP	NA	NA
+PJ021069	PTQWW 	C36H44N8O8	716.3282	NA	PeJP	NA	NA
+PJ021070	GGGPPFW 	C36H44N8O8	716.3283	NA	PeJP	NA	NA
+PJ021071	MHHHR 	C29H44N14O6S	716.3289	NA	PeJP	NA	NA
+MJ091795	Bisaknadinine 	C40H48N2O10	716.330895	NA	MeJP	NA	NA
+MJ091796	Nicotaxine; O5-(3-Methylamino-3-phenylpropanoyl) 	C40H48N2O10	716.330895	NA	MeJP	NA	NA
+PJ021072	GPVQMW 	C33H48N8O8S	716.3316	NA	PeJP	NA	NA
+PJ021073	AFFFW 	C41H44N6O6	716.3323	NA	PeJP	NA	NA
+PJ021074	SPQKEE 	C29H48N8O13	716.3341	NA	PeJP	NA	NA
+PJ021075	SVLMMH 	C30H52N8O8S2	716.335	NA	PeJP	NA	NA
+PJ021076	NNQRW 	C30H44N12O9	716.3354	NA	PeJP	NA	NA
+PJ021077	GGNQRW 	C30H44N12O9	716.3355	NA	PeJP	NA	NA
+PJ021078	GTTLYY 	C34H48N6O11	716.3381	NA	PeJP	NA	NA
+PJ021079	GPCERR 	C27H48N12O9S	716.3388	NA	PeJP	NA	NA
+MJ091797	Euphorrepinol; 5,15-Ditigloyl, tetra-Ac 	C38H52O13	716.340791	NA	MeJP	NA	NA
+MJ091798	Euphorrepinol; 7,14-Ditigloyl, tetra-Ac 	C38H52O13	716.340791	NA	MeJP	NA	NA
+PJ021080	PVLEEM 	C31H52N6O11S	716.3415	NA	PeJP	NA	NA
+PJ021081	PQMRW 	C32H48N10O7S	716.3428	NA	PeJP	NA	NA
+PJ021082	GAPMRW 	C32H48N10O7S	716.3429	NA	PeJP	NA	NA
+PJ021083	GVQEER 	C28H48N10O12	716.3453	NA	PeJP	NA	NA
+PJ021084	GGGLEER 	C28H48N10O12	716.3454	NA	PeJP	NA	NA
+PJ021085	ACKKMH 	C29H52N10O7S2	716.3462	NA	PeJP	NA	NA
+PJ021086	GPNHHR 	C29H44N14O8	716.3467	NA	PeJP	NA	NA
+2700	somatostatin	AGCKNFFWKTFTSC	716.34895	MH2+	Inhouse_peptide	NA	peptide
+PJ021087	GPTKEW 	C33H48N8O10	716.3494	NA	PeJP	NA	NA
+PJ021088	PVNKEM 	C30H52N8O10S	716.3527	NA	PeJP	NA	NA
+PJ021089	GGPVKEM 	C30H52N8O10S	716.3528	NA	PeJP	NA	NA
+PJ021090	PKFYY 	C38H48N6O8	716.3534	NA	PeJP	NA	NA
+PJ021091	PCRRW 	C31H48N12O6S	716.3541	NA	PeJP	NA	NA
+PJ021092	QEERR 	C27H48N12O11	716.3566	NA	PeJP	NA	NA
+PJ021093	LKMYY 	C35H52N6O8S	716.3567	NA	PeJP	NA	NA
+PJ021094	PPPLMY 	C35H52N6O8S	716.3568	NA	PeJP	NA	NA
+MJ091799	Amataine 	C43H48N4O6	716.357385	NA	MeJP	NA	NA
+MJ091800	Quimbeline 	C43H48N4O6	716.357385	NA	MeJP	NA	NA
+MJ091801	Voacanga thouarsii Alkaloid I 	C43H48N4O6	716.357385	NA	MeJP	NA	NA
+MJ091802	Voacinol 	C43H48N4O6	716.357385	NA	MeJP	NA	NA
+C08433	Amataine	C43H48N4O6	716.3574	NA	KEGG	NA	NA
+PJ021095	VVLEEE 	C31H52N6O13	716.3593	NA	PeJP	NA	NA
+PJ021096	VQERW 	C32H48N10O9	716.3606	NA	PeJP	NA	NA
+3064	NA	VEPIPY	716.361	celiac toxic	Inhouse_peptide	NA	peptide
+MJ091803	1,6,10,14-Phytatetraene-3,17-diol, 3-O-[6-O-Malonyl-?-D-glucopyranoside], 17-O-?-D-glucopyranoside 	C35H56O15	716.361921	NA	MeJP	NA	NA
+MJ091804	Aldgamycin C 	C35H56O15	716.361921	NA	MeJP	NA	NA
+PJ021097	GPKEMR 	C29H52N10O9S	716.364	NA	PeJP	NA	NA
+PJ021098	PTKWW 	C37H48N8O7	716.3646	NA	PeJP	NA	NA
+MJ091805	Rubiflavin C1; 17,18-Dihydro 	C41H52N2O9	716.367281	NA	MeJP	NA	NA
+MJ091806	Saptomycin B 	C41H52N2O9	716.367281	NA	MeJP	NA	NA
+PJ021099	DDRRR 	C26H48N14O10	716.3678	NA	PeJP	NA	NA
+PJ021100	GPVKMW 	C34H52N8O7S	716.368	NA	PeJP	NA	NA
+PJ021101	SPKKEE 	C30H52N8O12	716.3705	NA	PeJP	NA	NA
+PJ021102	AERRW 	C31H48N12O8	716.3718	NA	PeJP	NA	NA
+PJ021103	GGGGKRW 	C31H48N12O8	716.3719	NA	PeJP	NA	NA
+PJ021104	PPVLEY 	C35H52N6O10	716.3745	NA	PeJP	NA	NA
+PJ021105	GPTMRR 	C28H52N12O8S	716.3752	NA	PeJP	NA	NA
+PJ021106	GLRWW 	C36H48N10O6	716.3759	NA	PeJP	NA	NA
+MJ091807	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,22-dione, 16-O-(2,4-Di-O-acetyl-?-L-arabinopyranoside) 	C39H56O12	716.377177	NA	MeJP	NA	NA
+C08809	Spinoside A	C39H56O12	716.3772	NA	KEGG	NA	NA
+PJ021107	PKMRW 	C33H52N10O6S	716.3792	NA	PeJP	NA	NA
+PJ021108	GVKEER 	C29H52N10O11	716.3817	NA	PeJP	NA	NA
+PJ021109	GGGAAKKE 	C29H52N10O11	716.3818	NA	PeJP	NA	NA
+PJ021110	ASLLQW 	C34H52N8O9	716.3857	NA	PeJP	NA	NA
+PJ021111	AALKEW 	C34H52N8O9	716.3858	NA	PeJP	NA	NA
+PJ021112	PVDKKM 	C31H56N8O9S	716.3891	NA	PeJP	NA	NA
+PJ021113	LKFFY 	C39H52N6O7	716.3898	NA	PeJP	NA	NA
+PJ021114	KEERR 	C28H52N12O10	716.393	NA	PeJP	NA	NA
+PJ021115	PPLLMF 	C36H56N6O7S	716.3932	NA	PeJP	NA	NA
+PJ021116	TLLLEE 	C32H56N6O12	716.3957	NA	PeJP	NA	NA
+PJ021117	PLLLMM 	C33H60N6O7S2	716.3965	NA	PeJP	NA	NA
+PJ021118	VKERW 	C33H52N10O8	716.397	NA	PeJP	NA	NA
+PJ021119	SPVKMR 	C30H56N10O8S	716.4004	NA	PeJP	NA	NA
+PJ021120	VVKWW 	C38H52N8O6	716.401	NA	PeJP	NA	NA
+PJ021121	TERRR 	C27H52N14O9	716.4042	NA	PeJP	NA	NA
+PJ021122	ALKKEE 	C31H56N8O11	716.4069	NA	PeJP	NA	NA
+PJ021123	SLRRW 	C32H52N12O7	716.4082	NA	PeJP	NA	NA
+PJ021124	PVLLEF 	C36H56N6O9	716.4109	NA	PeJP	NA	NA
+PJ021125	AALMRR 	C29H56N12O7S	716.4116	NA	PeJP	NA	NA
+PJ021126	VLLLEM 	C33H60N6O9S	716.4143	NA	PeJP	NA	NA
+PJ021127	ATLKER 	C30H56N10O10	716.4181	NA	PeJP	NA	NA
+PJ021128	GTLLKW 	C35H56N8O8	716.4221	NA	PeJP	NA	NA
+PJ021129	GGPVLKF 	C35H56N8O8	716.4222	NA	PeJP	NA	NA
+PJ021130	VMRRR 	C28H56N14O6S	716.4228	NA	PeJP	NA	NA
+PJ021131	PTLKKM 	C32H60N8O8S	716.4255	NA	PeJP	NA	NA
+PJ021132	ATTLRR 	C29H56N12O9	716.4293	NA	PeJP	NA	NA
+PJ021133	SSVLRR 	C29H56N12O9	716.4294	NA	PeJP	NA	NA
+PJ021134	QKKKW 	C34H56N10O7	716.4334	NA	PeJP	NA	NA
+MJ091808	Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?5)-?-L-arabinofuranoside] 	C37H64O13	716.434692	NA	MeJP	NA	NA
+MJ091809	Cholestane-3,6,8,15,24-pentol, 3,24-Di-O-?-D-xylopyranoside 	C37H64O13	716.434692	NA	MeJP	NA	NA
+PJ021135	GLLKMR 	C31H60N10O7S	716.4368	NA	PeJP	NA	NA
+PJ021136	SLLKKE 	C32H60N8O10	716.4433	NA	PeJP	NA	NA
+PJ021137	PVLLLY 	C37H60N6O8	716.4473	NA	PeJP	NA	NA
+MJ091810	21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methyl-3E-pentenoyl), 11-(2R-hydroxy-3-methylbutanoyl) 	C41H64O10	716.449948	NA	MeJP	NA	NA
+PJ021138	STLLKR 	C31H60N10O9	716.4545	NA	PeJP	NA	NA
+PJ021139	PVVKKF 	C36H60N8O7	716.4585	NA	PeJP	NA	NA
+PJ021140	VVLKKM 	C33H64N8O7S	716.4619	NA	PeJP	NA	NA
+MJ091811	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-(3-ethoxycarbonylpropanoyl) 	C45H64O7	716.465204	NA	MeJP	NA	NA
+PJ021141	GTKKKR 	C30H60N12O8	716.4657	NA	PeJP	NA	NA
+PJ021142	KKKKW 	C35H60N10O6	716.4698	NA	PeJP	NA	NA
+MJ091812	Kulomoopunalide 1 	C39H64N4O8	716.472415	NA	MeJP	NA	NA
+PJ021143	VLLLLF 	C38H64N6O7	716.4837	NA	PeJP	NA	NA
+PJ021144	SVKKKK 	C32H64N10O8	716.4909	NA	PeJP	NA	NA
+MJ091813	?-Carotene; 1',2'-Dihydro, 1'-hydroxy, O-?-D-glucopyranoside 	C46H68O6	716.501589	NA	MeJP	NA	NA
+C15861	1'-Hydroxy-gamma-carotene glucoside	C46H68O6	716.5016	NA	KEGG	NA	NA
+C15862	Buccalin	C46H68O6	716.5016	NA	KEGG	NA	NA
+C15863	Cerebellin	C46H68O6	716.5016	NA	KEGG	NA	NA
+C15864	1'-Hydroxy-gamma-carotene glucoside ester	C47H67O7R	716.5016	NA	KEGG	NA	NA
+C15865	Neuromedin B	C47H67O7R	716.5016	NA	KEGG	NA	NA
+C15866	Neuromedin C	C47H67O7R	716.5016	NA	KEGG	NA	NA
+MetaCyc04072	2,3-bis-o-(geranylgeranyl)glycerol 1-phosphate []	C43H73O6P1	716.514477	NA	metacyc	NA	NA
+C04638	2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate	C43H73O6P	716.5145	NA	KEGG	NA	NA
+HMDB07701	DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H72O5	716.537964	NA	HMDB2010	NA	NA
+HMDB07728	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H72O5	716.537964	NA	HMDB2010	NA	NA
+HMDB07729	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H72O5	716.537964	NA	HMDB2010	NA	NA
+HMDB07757	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H72O5	716.537964	NA	HMDB2010	NA	NA
+HMDB07758	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H72O5	716.537964	NA	HMDB2010	NA	NA
+HMDB07785	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H72O5	716.537964	NA	HMDB2010	NA	NA
+HMDB13463	SM(d18:0/16:1(9Z)(OH))	C39H77N2O7P	716.546814	NA	HMDB2010	NA	NA
+MetaCyc04073	menaquinone-8 [vitamin K2;MK-8;menaquinone;]	C51H72O2	716.553232	84-81-1	metacyc	NA	NA
+C13895	1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-	C40H79NO7P	716.5594	NA	KEGG	NA	NA
+MJ091814	24-Ethylcycloart-25-en-3-ol, 9,12-Octadecadienoyl 	C50H84O2	716.647131	NA	MeJP	NA	NA
+3866	vespa-like peptide from R, Erythraea	FLPILGKIAGFLF~	716.9325	MH2+	Inhouse_peptide	NA	peptide
+PJ021145	GCCCCDD 	C22H35N7O12S4	717.1227	NA	PeJP	NA	NA
+PJ021146	SPCCCCC 	C23H39N7O9S5	717.1413	NA	PeJP	NA	NA
+PJ021147	GSCCCDM 	C23H39N7O11S4	717.1591	NA	PeJP	NA	NA
+PJ021148	TCCCCW 	C27H39N7O8S4	717.1743	NA	PeJP	NA	NA
+PJ021149	SSSCCCE 	C23H39N7O13S3	717.1768	NA	PeJP	NA	NA
+PJ021150	CCCQMM 	C24H43N7O8S5	717.1777	NA	PeJP	NA	NA
+PJ021151	CCCCMR 	C23H43N9O7S5	717.1889	NA	PeJP	NA	NA
+PJ021152	CCCNEF 	C27H39N7O10S3	717.1921	NA	PeJP	NA	NA
+PJ021153	GSSCCMM 	C24H43N7O10S4	717.1954	NA	PeJP	NA	NA
+PJ021154	GTTCCCM 	C24H43N7O10S4	717.1955	NA	PeJP	NA	NA
+PJ021155	CNDDDH 	C25H35N9O14S	717.2025	NA	PeJP	NA	NA
+PJ021156	GCCCFW 	C31H39N7O7S3	717.2073	NA	PeJP	NA	NA
+PJ021157	SCCNEY 	C27H39N7O12S2	717.2098	NA	PeJP	NA	NA
+PJ021158	SSSTCCM 	C24H43N7O12S3	717.2132	NA	PeJP	NA	NA
+PJ021159	CCCKMM 	C25H47N7O7S5	717.2141	NA	PeJP	NA	NA
+PJ021160	GSPCCDH 	C26H39N9O11S2	717.2211	NA	PeJP	NA	NA
+PJ021161	GSCCYW 	C31H39N7O9S2	717.2251	NA	PeJP	NA	NA
+PJ021162	GSSSCDY 	C27H39N7O14S	717.2276	NA	PeJP	NA	NA
+PJ021163	GCNMMY 	C28H43N7O9S3	717.2285	NA	PeJP	NA	NA
+PJ021164	CCNNQH 	C25H39N11O10S2	717.2323	NA	PeJP	NA	NA
+PJ021165	SNDDMH 	C26H39N9O13S	717.2388	NA	PeJP	NA	NA
+PJ021166	ACCCRY 	C27H43N9O8S3	717.2397	NA	PeJP	NA	NA
+PJ021167	GCNDFY 	C31H39N7O11S	717.2429	NA	PeJP	NA	NA
+PJ021168	PNDDEE 	C27H39N7O16	717.2454	NA	PeJP	NA	NA
+PJ021169	SSCQMY 	C28H43N7O11S2	717.2462	NA	PeJP	NA	NA
+PJ021170	DEEYY 	C32H39N5O14	717.2494	NA	PeJP	NA	NA
+PJ021171	GSSCNNH 	C25H39N11O12S	717.2501	NA	PeJP	NA	NA
+PJ021172	PCCCHR 	C26H43N11O7S3	717.2509	NA	PeJP	NA	NA
+PJ021173	GSCEHW 	C30H39N9O10S	717.2541	NA	PeJP	NA	NA
+PJ021174	GSSSDEH 	C26H39N9O15	717.2566	NA	PeJP	NA	NA
+PJ021175	SSCCRY 	C27H43N9O10S2	717.2574	NA	PeJP	NA	NA
+PJ021176	GNEMMH 	C27H43N9O10S2	717.2575	NA	PeJP	NA	NA
+PJ021177	GPDDEW 	C31H39N7O13	717.2606	NA	PeJP	NA	NA
+PJ021178	GCNMFF 	C32H43N7O8S2	717.2615	NA	PeJP	NA	NA
+PJ021179	GSSSSMY 	C28H43N7O13S	717.264	NA	PeJP	NA	NA
+PJ021180	ACCKMY 	C29H47N7O8S3	717.2649	NA	PeJP	NA	NA
+PJ021181	NNNNNE 	C25H39N11O14	717.2678	NA	PeJP	NA	NA
+PJ021182	GGGGGGGGNE 	C25H39N11O14	717.2679	NA	PeJP	NA	NA
+PJ021183	EEMFY 	C33H43N5O11S	717.268	NA	PeJP	NA	NA
+PJ021184	GCDMHR 	C26H43N11O9S2	717.2687	NA	PeJP	NA	NA
+PJ021185	SCHWW 	C34H39N9O7S	717.2693	NA	PeJP	NA	NA
+HMDB12177	5-Methyltetrahydropteroyltri-L-glutamate	C30H39N9O12	717.27179	NA	HMDB2010	NA	NA
+C04489	5-Methyltetrahydropteroyltri-L-glutamate	C30H39N9O12	717.2718	NA	KEGG	NA	NA
+PJ021186	SSSDHW 	C30H39N9O12	717.2718	NA	PeJP	NA	NA
+PJ021187	GNDEHF 	C30H39N9O12	717.2719	NA	PeJP	NA	NA
+PJ021188	NMMHW 	C31H43N9O7S2	717.2727	NA	PeJP	NA	NA
+PJ021189	SSQEMH 	C27H43N9O12S	717.2752	NA	PeJP	NA	NA
+PJ021190	PDDWW 	C35H39N7O10	717.2759	NA	PeJP	NA	NA
+PJ021191	PCCKMH 	C28H47N9O7S3	717.2761	NA	PeJP	NA	NA
+PJ021192	GCQHHH 	C28H39N13O8S	717.2766	NA	PeJP	NA	NA
+MJ091815	19-Hydroxyingol; 19-(3-Pyridinecarbonyl), 8-benzoyl, 3,7,12-tri-Ac 	C39H43NO12	717.278525	NA	MeJP	NA	NA
+MJ091816	Adriamycin; N-Benzyl, 14-pentanoyl 	C39H43NO12	717.278525	NA	MeJP	NA	NA
+PJ021193	SPPCEW 	C32H43N7O10S	717.2792	NA	PeJP	NA	NA
+PJ021194	SSSSSTY 	C28H43N7O15	717.2817	NA	PeJP	NA	NA
+PJ021195	GSPLDDD 	C28H43N7O15	717.2818	NA	PeJP	NA	NA
+PJ021196	SSCKMY 	C29H47N7O10S2	717.2826	NA	PeJP	NA	NA
+PJ021197	GNNNNW 	C29H39N11O11	717.2831	NA	PeJP	NA	NA
+PJ021198	SSCEHR 	C26H43N11O11S	717.2864	NA	PeJP	NA	NA
+PJ021199	PCNNDR 	C26H43N11O11S	717.2865	NA	PeJP	NA	NA
+PJ021200	NDHFW 	C34H39N9O9	717.2871	NA	PeJP	NA	NA
+PJ021201	GSTMHW 	C31H43N9O9S	717.2905	NA	PeJP	NA	NA
+MJ091817	Antibiotic SF 2111B 	C27H43N9O14	717.292947	NA	MeJP	NA	NA
+PJ021202	SPDDER 	C27H43N9O14	717.293	NA	PeJP	NA	NA
+PJ021203	ATQMMH 	C28H47N9O9S2	717.2938	NA	PeJP	NA	NA
+PJ021204	PPCDMR 	C28H47N9O9S2	717.2939	NA	PeJP	NA	NA
+PJ021205	SSNHHH 	C28H39N13O10	717.2943	NA	PeJP	NA	NA
+PJ021206	GPTEEW 	C32H43N7O12	717.297	NA	PeJP	NA	NA
+MJ091818	Naphthoquinomycin B 	C40H47NO9S	717.297152	NA	MeJP	NA	NA
+PJ021207	GPPMMW 	C33H47N7O7S2	717.2979	NA	PeJP	NA	NA
+PJ021208	PVNEEM 	C29H47N7O12S	717.3004	NA	PeJP	NA	NA
+PJ021209	PEFYY 	C37H43N5O10	717.301	NA	PeJP	NA	NA
+PJ021210	PPCQHH 	C30H43N11O8S	717.3017	NA	PeJP	NA	NA
+MJ091819	Maytansine; N,N2'-Di-de-Me, N2'-de-Ac, N2'-(2,3-dimethylcyclopropylcarbonyl) 	C36H48ClN3O10	717.302822	NA	MeJP	NA	NA
+PJ021211	GNNEER 	C26H43N11O13	717.3042	NA	PeJP	NA	NA
+PJ021212	LEMYY 	C34H47N5O10S	717.3044	NA	PeJP	NA	NA
+PJ021213	GSMMHR 	C27H47N11O8S2	717.3051	NA	PeJP	NA	NA
+PJ021214	MHHFF 	C35H43N9O6S	717.3057	NA	PeJP	NA	NA
+3279	NA	ACRGDGWCG	717.3069	celiac toxic	Inhouse_peptide	NA	peptide
+PJ021215	SSTTHW 	C31H43N9O11	717.3082	NA	PeJP	NA	NA
+PJ021216	GGGGGVEW 	C31H43N9O11	717.3083	NA	PeJP	NA	NA
+PJ021217	GPEEMR 	C28H47N9O11S	717.3116	NA	PeJP	NA	NA
+PJ021218	PTEWW 	C36H43N7O9	717.3122	NA	PeJP	NA	NA
+PJ021219	GPPDFW 	C36H43N7O9	717.3123	NA	PeJP	NA	NA
+PJ021220	GCKHHH 	C29H43N13O7S	717.313	NA	PeJP	NA	NA
+PJ021221	SNNNNR 	C25H43N13O12	717.3154	NA	PeJP	NA	NA
+PJ021222	GGGGSNNR 	C25H43N13O12	717.3155	NA	PeJP	NA	NA
+PJ021223	GPVEMW 	C33H47N7O9S	717.3156	NA	PeJP	NA	NA
+PJ021224	SPKEEE 	C29H47N7O14	717.3181	NA	PeJP	NA	NA
+PJ021225	PPDKMM 	C30H51N7O9S2	717.319	NA	PeJP	NA	NA
+PJ021226	NNERW 	C30H43N11O10	717.3195	NA	PeJP	NA	NA
+PJ021227	SSTMHR 	C27H47N11O10S	717.3228	NA	PeJP	NA	NA
+PJ021228	GGGGSPMR 	C27H47N11O10S	717.3229	NA	PeJP	NA	NA
+PJ021229	AQQWW 	C35H43N9O8	717.3235	NA	PeJP	NA	NA
+PJ021230	PEMRW 	C32H47N9O8S	717.3269	NA	PeJP	NA	NA
+PJ021231	SSSSTLH 	C28H47N9O13	717.3293	NA	PeJP	NA	NA
+PJ021232	GVEEER 	C28H47N9O13	717.3294	NA	PeJP	NA	NA
+PJ021233	SPPMMR 	C29H51N9O8S2	717.3302	NA	PeJP	NA	NA
+PJ021234	GPDHHR 	C29H43N13O9	717.3307	NA	PeJP	NA	NA
+PJ021235	PVMWW 	C37H47N7O6S	717.3309	NA	PeJP	NA	NA
+PJ021236	AALEEW 	C33H47N7O11	717.3334	NA	PeJP	NA	NA
+PJ021237	GNRWW 	C34H43N11O7	717.3347	NA	PeJP	NA	NA
+PJ021238	SSSPPLM 	C30H51N7O11S	717.3367	NA	PeJP	NA	NA
+PJ021239	PVDKEM 	C30H51N7O11S	717.3368	NA	PeJP	NA	NA
+PJ021240	PLYYY 	C38H47N5O9	717.3374	NA	PeJP	NA	NA
+PJ021241	QMHFR 	C31H47N11O7S	717.3381	NA	PeJP	NA	NA
+PJ021242	EEERR 	C27H47N11O12	717.3406	NA	PeJP	NA	NA
+PJ021243	VEERW 	C32H47N9O10	717.3446	NA	PeJP	NA	NA
+PJ021244	SPVEMR 	C29H51N9O10S	717.348	NA	PeJP	NA	NA
+PJ021245	VVEWW 	C37H47N7O8	717.3486	NA	PeJP	NA	NA
+PJ021246	CHFRR 	C30H47N13O6S	717.3493	NA	PeJP	NA	NA
+PJ021247	GSNERR 	C26H47N13O11	717.3518	NA	PeJP	NA	NA
+PJ021248	APTLMW 	C34H51N7O8S	717.352	NA	PeJP	NA	NA
+PJ021249	ALKEEE 	C30H51N7O13	717.3545	NA	PeJP	NA	NA
+PJ021250	PVLQMM 	C31H55N7O8S2	717.3554	NA	PeJP	NA	NA
+PJ021251	NDKRW 	C31H47N11O9	717.3558	NA	PeJP	NA	NA
+PJ021252	GGDKRW 	C31H47N11O9	717.3559	NA	PeJP	NA	NA
+PJ021253	GVQQMR 	C28H51N11O9S	717.3592	NA	PeJP	NA	NA
+PJ021254	AQKWW 	C36H47N9O7	717.3599	NA	PeJP	NA	NA
+PJ021255	APPMFR 	C33H51N9O7S	717.3632	NA	PeJP	NA	NA
+PJ021256	GPCKKW 	C33H51N9O7S	717.3633	NA	PeJP	NA	NA
+PJ021257	ATLEER 	C29H51N9O12	717.3657	NA	PeJP	NA	NA
+PJ021258	GQKKEE 	C29H51N9O12	717.3658	NA	PeJP	NA	NA
+PJ021259	APLMMR 	C30H55N9O7S2	717.3666	NA	PeJP	NA	NA
+PJ021260	SNRRW 	C30H47N13O8	717.3671	NA	PeJP	NA	NA
+PJ021261	GTLLEW 	C34H51N7O10	717.3698	NA	PeJP	NA	NA
+PJ021262	QQMRR 	C27H51N13O8S	717.3705	NA	PeJP	NA	NA
+PJ021263	PTLKEM 	C31H55N7O10S	717.3731	NA	PeJP	NA	NA
+PJ021264	GGVLLEM 	C31H55N7O10S	717.3732	NA	PeJP	NA	NA
+PJ021265	LLFYY 	C39H51N5O8	717.3738	NA	PeJP	NA	NA
+PJ021266	KMHFR 	C32H51N11O6S	717.3745	NA	PeJP	NA	NA
+PJ021267	GTQKER 	C28H51N11O11	717.377	NA	PeJP	NA	NA
+PJ021268	QKKEW 	C33H51N9O9	717.381	NA	PeJP	NA	NA
+PJ021269	CQRRR 	C26H51N15O7S	717.3817	NA	PeJP	NA	NA
+PJ021270	GLLEMR 	C30H55N9O9S	717.3844	NA	PeJP	NA	NA
+PJ021271	TLLWW 	C38H51N7O7	717.385	NA	PeJP	NA	NA
+PJ021272	GSDKRR 	C27H51N13O10	717.3882	NA	PeJP	NA	NA
+PJ021273	GVLLMW 	C35H55N7O7S	717.3884	NA	PeJP	NA	NA
+PJ021274	SLLKEE 	C31H55N7O12	717.3909	NA	PeJP	NA	NA
+PJ021275	PVLKMM 	C32H59N7O7S2	717.3918	NA	PeJP	NA	NA
+PJ021276	TQKRW 	C32H51N11O8	717.3922	NA	PeJP	NA	NA
+PJ021277	GAALLHH 	C32H51N11O8	717.3923	NA	PeJP	NA	NA
+PJ021278	GVQKMR 	C29H55N11O8S	717.3956	NA	PeJP	NA	NA
+PJ021279	AKKWW 	C37H51N9O6	717.3963	NA	PeJP	NA	NA
+PJ021280	GSSRRR 	C26H51N15O9	717.3995	NA	PeJP	NA	NA
+PJ021281	LLMRW 	C34H55N9O6S	717.3996	NA	PeJP	NA	NA
+PJ021282	STLLER 	C30H55N9O11	717.4021	NA	PeJP	NA	NA
+PJ021283	GVLHHR 	C31H51N13O7	717.4035	NA	PeJP	NA	NA
+PJ021284	SSLLLW 	C35H55N7O9	717.4061	NA	PeJP	NA	NA
+PJ021285	VVTTLW 	C35H55N7O9	717.4062	NA	PeJP	NA	NA
+PJ021286	QKMRR 	C28H55N13O7S	717.4068	NA	PeJP	NA	NA
+PJ021287	GAKMRR 	C28H55N13O7S	717.4069	NA	PeJP	NA	NA
+MJ091820	Germine; O3-Angeloyl, O15-(R)-2-methylbutanoyl, O7-Ac 	C39H59NO11	717.408811	NA	MeJP	NA	NA
+PJ021288	VVLKEM 	C32H59N7O9S	717.4095	NA	PeJP	NA	NA
+PJ021289	GTKKER 	C29H55N11O10	717.4134	NA	PeJP	NA	NA
+PJ021290	LHHRR 	C30H51N15O6	717.4147	NA	PeJP	NA	NA
+PJ021291	KKKEW 	C34H55N9O8	717.4174	NA	PeJP	NA	NA
+PJ021292	CKRRR 	C27H55N15O6S	717.4181	NA	PeJP	NA	NA
+PJ021293	SVLLMR 	C31H59N9O8S	717.4208	NA	PeJP	NA	NA
+PJ021294	GTTKRR 	C28H55N13O9	717.4246	NA	PeJP	NA	NA
+PJ021295	GTTTLLL 	C32H59N7O11	717.4273	NA	PeJP	NA	NA
+PJ021296	TKKRW 	C33H55N11O7	717.4286	NA	PeJP	NA	NA
+PJ021297	GVKKMR 	C30H59N11O7S	717.432	NA	PeJP	NA	NA
+3887	temporin D	LLPIVGNLLNSLLG	717.4339	MH2+	Inhouse_peptide	NA	peptide
+3889	temporin E	VLPIIGNLLNSLLG	717.4339	MH2+	Inhouse_peptide	NA	peptide
+PJ021298	SVKKKE 	C31H59N9O10	717.4385	NA	PeJP	NA	NA
+PJ021299	PVVLKY 	C36H59N7O8	717.4425	NA	PeJP	NA	NA
+PJ021300	GGVLLLF 	C36H59N7O8	717.4426	NA	PeJP	NA	NA
+PJ021301	KKMRR 	C29H59N13O6S	717.4432	NA	PeJP	NA	NA
+MJ091821	Spinosyn; Spinosyn A, 2'-O-De-Me 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091822	Spinosyn; Spinosyn A, 3'-O-De-Me 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091823	Spinosyn; Spinosyn A, 4'-O-De-Me 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091824	Spinosyn; Spinosyn D, 2',4'-Di-O-de-Me 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091825	Spinosyn; Spinosyn D, 3',4'-Di-O-de-Me 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091826	Spinosyn; Spinosyn D, O3',N-Di-de-Me 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091827	Spinosyn; Spinosyn E 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+MJ091828	Spinosyn; Spinosyn F 	C40H63NO10	717.445197	NA	MeJP	NA	NA
+C11055	Spinosyn B	C40H63NO10	717.4452	NA	KEGG	NA	NA
+C15706	Spinosyn H	C40H63NO10	717.4452	NA	KEGG	NA	NA
+C15707	Spinosyn J	C40H63NO10	717.4452	NA	KEGG	NA	NA
+C15708	Spinosyn K	C40H63NO10	717.4452	NA	KEGG	NA	NA
+PJ021302	TLLLKM 	C33H63N7O8S	717.4459	NA	PeJP	NA	NA
+PJ021303	SSLKKR 	C30H59N11O9	717.4497	NA	PeJP	NA	NA
+PJ021304	GLLLFR 	C35H59N9O7	717.4538	NA	PeJP	NA	NA
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR541	14 :0 PE F2	NA	717.454125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR541	14 :0 PE F2	NA	717.454125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR541	14 :0 PE F2	NA	717.454125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR541	14 :0 PE F2	NA	717.454125	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR541	14 :0 PE F2	F2	717.454125	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+PJ021305	ALKKKM 	C32H63N9O7S	717.4572	NA	PeJP	NA	NA
+C06653	Erythromycin B	C37H67NO12	717.4663	NA	KEGG	NA	NA
+MJ091829	Erythromycin B 	C37H67NO12	717.466326	NA	MeJP	NA	NA
+MJ091830	Erythromycin; 12-Deoxy 	C37H67NO12	717.466326	NA	MeJP	NA	NA
+PJ021306	TTLKKK 	C32H63N9O9	717.4749	NA	PeJP	NA	NA
+PJ021307	VVLLKF 	C37H63N7O7	717.4789	NA	PeJP	NA	NA
+HMDB05320	GPEtn(16:0/18:1(9Z))	C39H76NO8P	717.53082	http://www.hmdb.ca/metabolites/HMDB05320	HMDB	NA	NA
+HMDB05329	GPEtn(18:0/18:1(11Z))	C39H76NO8P	717.53082	http://www.hmdb.ca/metabolites/HMDB05329	HMDB	NA	NA
+HMDB05344	GPEtn(18:1(9Z)/16:0)	C39H76NO8P	717.53082	http://www.hmdb.ca/metabolites/HMDB05344	HMDB	NA	NA
+HMDB05320	GPEtn(16:0/18:1(9Z))	C39H76NO8P	717.53082	HMDB05320	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05329	GPEtn(18:0/18:1(11Z))	C39H76NO8P	717.53082	HMDB05329	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05344	GPEtn(18:1(9Z)/16:0)	C39H76NO8P	717.53082	HMDB05344	PFEM_hmdb_metabocards_official	NA	NA
+EUR931	PC 32:1 [M-H-CH3]-	C40H78NO8P	717.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR931	PC 32:1 [M-H-CH3]-	C40H78NO8P	717.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR931	PC 32:1 [M-H-CH3]-	C40H78NO8P	717.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR931	PC 32:1 [M-H-CH3]-	C40H78NO8P	717.530857	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07936	PC(15:0/16:1(9Z))	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08000	PC(16:1(9Z)/15:0)	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08834	PE(14:0/20:1(11Z))	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08866	PE(14:1(9Z)/20:0)	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08926	PE(16:0/18:1(11Z))	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08927	PE(16:0/18:1(9Z))	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08958	PE(16:1(9Z)/18:0)	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB08990	PE(18:0/16:1(9Z))	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB09022	PE(18:1(11Z)/16:0)	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB09055	PE(18:1(9Z)/16:0)	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB09218	PE(20:0/14:1(9Z))	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+HMDB09250	PE(20:1(11Z)/14:0)	C39H76NO8P	717.530884	NA	HMDB2010	NA	NA
+C13877	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	C39H76NO8P	717.5309	NA	KEGG	NA	NA
+HMDB07896	PC(14:0/P-18:0)	C40H80NO7P	717.567261	NA	HMDB2010	NA	NA
+HMDB07994	PC(16:0/P-16:0)	C40H80NO7P	717.567261	NA	HMDB2010	NA	NA
+HMDB11206	PC(P-16:0/16:0)	C40H80NO7P	717.567261	NA	HMDB2010	NA	NA
+HMDB11236	PC(P-18:0/14:0)	C40H80NO7P	717.567261	NA	HMDB2010	NA	NA
+HMDB13404	PC(o-16:0/16:1(9Z))	C40H80NO7P	717.567261	NA	HMDB2010	NA	NA
+EUR1076	SM(d18:1/18:0) [M-H-CH3]-	C41H84N2O6P	717.591051	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1076	SM(d18:1/18:0) [M-H-CH3]-	C41H84N2O6P	717.591051	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1076	SM(d18:1/18:0) [M-H-CH3]-	C41H84N2O6P	717.591051	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1076	SM(d18:1/18:0) [M-H-CH3]-	C41H84N2O6P	717.591051	masses lipides attendues	Inhousejuil11	NA	NA
+PJ021308	GCCCCCQ 	C22H38N8O9S5	718.1366	NA	PeJP	NA	NA
+MJ091831	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxy-4-(2,4,6-trihydroxyphenyl)flavan, 5''-Hydroxy 	C36H30O16	718.153384	NA	MeJP	NA	NA
+MJ091832	Lithospermic acid B 	C36H30O16	718.153384	NA	MeJP	NA	NA
+MJ091833	Morelloflavone, 7''-O-?-D-Glucopyranoside 	C36H30O16	718.153384	NA	MeJP	NA	NA
+MJ091834	Rabdosiin 	C36H30O16	718.153384	NA	MeJP	NA	NA
+MJ091835	Salvianolic acid B 	C36H30O16	718.153384	NA	MeJP	NA	NA
+MJ091836	Salvianolic acid E 	C36H30O16	718.153384	NA	MeJP	NA	NA
+PJ021309	SSCCCCN 	C22H38N8O11S4	718.1543	NA	PeJP	NA	NA
+PJ021310	CCCEMM 	C24H42N6O9S5	718.1617	NA	PeJP	NA	NA
+PJ021311	GCCCCCK 	C23H42N8O8S5	718.1729	NA	PeJP	NA	NA
+PJ021312	CCCDEF 	C27H38N6O11S3	718.1761	NA	PeJP	NA	NA
+MJ091837	Phytosulfokine ? 	C28H38N4O14S2	718.182593	NA	MeJP	NA	NA
+PJ021313	CDDDDH 	C25H34N8O15S	718.1865	NA	PeJP	NA	NA
+PJ021314	CCCNNY 	C26H38N8O10S3	718.1873	NA	PeJP	NA	NA
+PJ021315	SCCDEY 	C27H38N6O13S2	718.1938	NA	PeJP	NA	NA
+PJ021316	TCCDDY 	C27H38N6O13S2	718.1939	NA	PeJP	NA	NA
+PJ021317	PCCCMY 	C28H42N6O8S4	718.1947	NA	PeJP	NA	NA
+PJ021318	TCCMMM 	C25H46N6O8S5	718.1981	NA	PeJP	NA	NA
+MJ091838	Oleuropein; 10-Hydroxy, 6'-(3,4-dihydroxy-E-cinnamoyl) 	C34H38O17	718.210899	NA	MeJP	NA	NA
+PJ021319	GCDMMY 	C28H42N6O10S3	718.2125	NA	PeJP	NA	NA
+PJ021320	CCNNEH 	C25H38N10O11S2	718.2163	NA	PeJP	NA	NA
+PJ021321	SCDEEH 	C26H38N8O14S	718.2228	NA	PeJP	NA	NA
+PJ021322	SDDDMH 	C26H38N8O14S	718.2229	NA	PeJP	NA	NA
+PJ021323	PCCEMH 	C27H42N8O9S3	718.2237	NA	PeJP	NA	NA
+MJ091839	Julichrome Q6.6; 10,10'-Dihydroxy 	C38H38O14	718.226155	NA	MeJP	NA	NA
+PJ021324	GCDDFY 	C31H38N6O12S	718.2269	NA	PeJP	NA	NA
+PJ021325	PCCCFF 	C32H42N6O7S3	718.2277	NA	PeJP	NA	NA
+PJ021326	PDDDEE 	C27H38N6O17	718.2294	NA	PeJP	NA	NA
+PJ021327	SSCEMY 	C28H42N6O12S2	718.2302	NA	PeJP	NA	NA
+PJ021328	GCMMMF 	C29H46N6O7S4	718.2311	NA	PeJP	NA	NA
+PJ021329	GCCNHW 	C29H38N10O8S2	718.2316	NA	PeJP	NA	NA
+MJ091840	Argylioside; 7,8-Didehydro, 10-hydroxy 	C31H42O19	718.232029	NA	MeJP	NA	NA
+MJ091841	Oleuropein; 10-Hydroxy, 4'-?-D-glucopyranosyl 	C31H42O19	718.232029	NA	MeJP	NA	NA
+MJ091842	Wahlenoside B 	C31H42O19	718.232029	NA	MeJP	NA	NA
+PJ021330	GSSCNDH 	C25H38N10O13S	718.2341	NA	PeJP	NA	NA
+PJ021331	GSPNDDD 	C26H38N8O16	718.2406	NA	PeJP	NA	NA
+PJ021332	GDEMMH 	C27H42N8O11S2	718.2415	NA	PeJP	NA	NA
+PJ021333	GSDDYY 	C31H38N6O14	718.2446	NA	PeJP	NA	NA
+PJ021334	APCCYY 	C32H42N6O9S2	718.2455	NA	PeJP	NA	NA
+FL5FABGI0017	Sagittatoside C	C35H42O16	718.24728	118525-37-4	knapsack	NA	NA
+FL5FABGI0018	Epimedokoreanoside II	C35H42O16	718.24728	130756-12-6	knapsack	NA	NA
+MJ091843	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8,9-Bis(3-furancarbonyl), 14-(2-methylpropanoyl), 1,2,6-tri-Ac 	C35H42O16	718.247285	NA	MeJP	NA	NA
+MJ091844	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-3-O-acetyl-?-L-rhamnopyranoside] 	C35H42O16	718.247285	NA	MeJP	NA	NA
+MJ091845	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] 	C35H42O16	718.247285	NA	MeJP	NA	NA
+MJ091846	Aloesinol, 4''-?-D-Glucopyranosyl, 7-Me ether, 2''-O-(4-hydroxycinnamoyl)(E-) 	C35H42O16	718.247285	NA	MeJP	NA	NA
+MJ091847	Aloesinol, 4''-?-D-Glucopyranosyl, 7-Me ether, 2''-O-(4-hydroxycinnamoyl)(Z-) 	C35H42O16	718.247285	NA	MeJP	NA	NA
+MJ091848	EP5 	C35H42O16	718.247285	NA	MeJP	NA	NA
+MJ091849	Diisodityrosine 	C36H38N4O12	718.248622	NA	MeJP	NA	NA
+PJ021335	GSMMMY 	C29H46N6O9S3	718.2489	NA	PeJP	NA	NA
+PJ021336	NNNNDE 	C25H38N10O15	718.2518	NA	PeJP	NA	NA
+PJ021337	GGGGNNDE 	C25H38N10O15	718.2519	NA	PeJP	NA	NA
+PJ021338	SCNQMH 	C26H42N10O10S2	718.2527	NA	PeJP	NA	NA
+PJ021339	GDDEHF 	C30H38N8O13	718.2559	NA	PeJP	NA	NA
+PJ021340	DMMHW 	C31H42N8O8S2	718.2567	NA	PeJP	NA	NA
+PJ021341	SSEEMH 	C27H42N8O13S	718.2592	NA	PeJP	NA	NA
+PJ021342	GGGGPDEM 	C27H42N8O13S	718.2593	NA	PeJP	NA	NA
+PJ021343	PTCMMH 	C28H46N8O8S3	718.2601	NA	PeJP	NA	NA
+PJ021344	GCEHHH 	C28H38N12O9S	718.2606	NA	PeJP	NA	NA
+PJ021345	NEMYY 	C32H42N6O11S	718.2632	NA	PeJP	NA	NA
+PJ021346	GGEMYY 	C32H42N6O11S	718.2633	NA	PeJP	NA	NA
+PJ021347	SCCNHR 	C25H42N12O9S2	718.2639	NA	PeJP	NA	NA
+PJ021348	GGSCCHR 	C25H42N12O9S2	718.264	NA	PeJP	NA	NA
+PJ021349	SPEEEE 	C28H42N6O16	718.2658	NA	PeJP	NA	NA
+PJ021350	SSTMMY 	C29H46N6O11S2	718.2666	NA	PeJP	NA	NA
+PJ021351	GNNNDW 	C29H38N10O12	718.2671	NA	PeJP	NA	NA
+MJ091850	3,6-Dihydroxycholesta-9(11),17(20),24-trien-23-one, 6-O-(4-O-Sulfo-6-deoxy-?-D-glucopyranoside), 3-sulfate 	C33H50O13S2	718.269283	NA	MeJP	NA	NA
+PJ021352	PCNDDR 	C26H42N10O12S	718.2705	NA	PeJP	NA	NA
+PJ021353	DDHFW 	C34H38N8O10	718.2711	NA	PeJP	NA	NA
+PJ021354	GPNDMW 	C31H42N8O10S	718.2745	NA	PeJP	NA	NA
+PJ021355	CHHHW 	C32H38N12O6S	718.2758	NA	PeJP	NA	NA
+PJ021356	GQQEEE 	C27H42N8O15	718.277	NA	PeJP	NA	NA
+PJ021357	ATEMMH 	C28H46N8O10S2	718.2779	NA	PeJP	NA	NA
+PJ021358	SSDHHH 	C28H38N12O11	718.2783	NA	PeJP	NA	NA
+PJ021359	GMYYW 	C36H42N6O8S	718.2785	NA	PeJP	NA	NA
+PJ021360	GSTEYY 	C32H42N6O13	718.281	NA	PeJP	NA	NA
+PJ021361	QMMFY 	C33H46N6O8S2	718.2819	NA	PeJP	NA	NA
+MJ091851	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1-Cinnamoyl, 9-(2-hydroxy-2-methylpropanoyl), 2,6,8,14-tetra-Ac 	C36H46O15	718.28367	NA	MeJP	NA	NA
+MJ091852	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 2-benzoyl, 4,10-di-Ac, 7-O-?-D-xylopyranoside 	C36H46O15	718.28367	NA	MeJP	NA	NA
+MJ091853	7,15-Dihydroxy-3,13-clerodadien-15,16-olid-18-oic acid, 15-Deoxy, 7-Ac, 18-O-[3,5-dihydroxy-4-methoxybenzoyl-(?4)-?-D-glucopyranosyl] ester 	C36H46O15	718.28367	NA	MeJP	NA	NA
+MJ091854	Taccalonolide B; 11-De-Ac, 11-(hydroxyacetyl), 15-Ac 	C36H46O15	718.28367	NA	MeJP	NA	NA
+PJ021362	PVDEEM 	C29H46N6O13S	718.2844	NA	PeJP	NA	NA
+PJ021363	GNNMHF 	C30H42N10O9S	718.2857	NA	PeJP	NA	NA
+PJ021364	GNDEER 	C26H42N10O14	718.2882	NA	PeJP	NA	NA
+PJ021365	GGGGGGAASE 	C26H42N10O14	718.2883	NA	PeJP	NA	NA
+PJ021366	GSPPCCR 	C27H46N10O9S2	718.2891	NA	PeJP	NA	NA
+PJ021367	PCQWW 	C35H42N8O7S	718.2897	NA	PeJP	NA	NA
+PJ021368	GAPCWW 	C35H42N8O7S	718.2898	NA	PeJP	NA	NA
+MetaCyc04074	tunicamycin [N-[2-[3-acetylamino-4,5-dihydroxy-6-(hydroxymethyl) tetrahydropyran-2-yl]oxy-6-[2-[5-[(2,4-dioxo-1H-pyrimidin-1-yl)] -3,4-dihydroxy-tetrahydrofuran-2-yl]-2-hydroxy-ethyl]-4,5- dihydroxy-tetrahydropyran-3-yl]-5-methyl-hex-2-enamide;]	C30H46N4O16	718.290881	NA	metacyc	NA	NA
+PJ021369	QQEEW 	C31H42N8O12	718.2922	NA	PeJP	NA	NA
+PJ021370	GAQEEW 	C31H42N8O12	718.2923	NA	PeJP	NA	NA
+PJ021371	CMFRY 	C32H46N8O7S2	718.2931	NA	PeJP	NA	NA
+PJ021372	TTTEMH 	C28H46N8O12S	718.2956	NA	PeJP	NA	NA
+PJ021373	STYYW 	C36H42N6O10	718.2963	NA	PeJP	NA	NA
+PJ021374	GLMMMH 	C29H50N8O7S3	718.2965	NA	PeJP	NA	NA
+PJ021375	GTMHHH 	C29H42N12O8S	718.297	NA	PeJP	NA	NA
+MJ091855	1,2,3,7,8,11-Hexahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,3,7-tri-Ac 	C40H46O12	718.298926	NA	MeJP	NA	NA
+PJ021376	SNNNDR 	C25H42N12O13	718.2995	NA	PeJP	NA	NA
+PJ021377	DKMYY 	C33H46N6O10S	718.2996	NA	PeJP	NA	NA
+MJ091856	Verteporfin 	C41H42N4O8	718.300264	NA	MeJP	NA	NA
+PJ021378	LLDDDE 	C29H46N6O15	718.3021	NA	PeJP	NA	NA
+PJ021379	ALEEEE 	C29H46N6O15	718.3022	NA	PeJP	NA	NA
+PJ021380	NDERW 	C30H42N10O11	718.3035	NA	PeJP	NA	NA
+MJ091857	Loganic acid; 7-(6R-?-D-Glucopyranosyloxy-2E,6-dimethyl-2,7-octadienoyl), Me ester 	C33H50O17	718.3048	NA	MeJP	NA	NA
+MJ091858	Loganic acid; 7-(6S-?-D-Glucopyranosyloxy-2E,6-dimethyl-2,7-octadienoyl), Me ester 	C33H50O17	718.3048	NA	MeJP	NA	NA
+PJ021381	SPNDMR 	C27H46N10O11S	718.3068	NA	PeJP	NA	NA
+PJ021382	GGSPDMR 	C27H46N10O11S	718.3069	NA	PeJP	NA	NA
+PJ021383	AQEWW 	C35H42N8O9	718.3075	NA	PeJP	NA	NA
+PJ021384	GPTQMW 	C32H46N8O9S	718.3109	NA	PeJP	NA	NA
+PJ021385	GFFYW 	C40H42N6O7	718.3115	NA	PeJP	NA	NA
+PJ021386	GQKEEE 	C28H46N8O14	718.3134	NA	PeJP	NA	NA
+PJ021387	STLMMH 	C29H50N8O9S2	718.3142	NA	PeJP	NA	NA
+PJ021388	GGPVQMM 	C29H50N8O9S2	718.3143	NA	PeJP	NA	NA
+PJ021389	STTHHH 	C29H42N12O10	718.3147	NA	PeJP	NA	NA
+PJ021390	QMFFF 	C37H46N6O7S	718.3149	NA	PeJP	NA	NA
+PJ021391	SSSLYY 	C33H46N6O12	718.3174	NA	PeJP	NA	NA
+PJ021392	GNNQMR 	C26H46N12O10S	718.3181	NA	PeJP	NA	NA
+PJ021393	KMMFY 	C34H50N6O7S2	718.3183	NA	PeJP	NA	NA
+PJ021394	GDRWW 	C34H42N10O8	718.3187	NA	PeJP	NA	NA
+PJ021395	PTLEEM 	C30H50N6O12S	718.3208	NA	PeJP	NA	NA
+PJ021396	PPLMMM 	C31H54N6O7S3	718.3216	NA	PeJP	NA	NA
+PJ021397	GPTCRW 	C31H46N10O8S	718.3221	NA	PeJP	NA	NA
+PJ021398	AAWWW 	C39H42N8O6	718.3228	NA	PeJP	NA	NA
+MJ091859	16,22-Epoxyergost-9(11)-ene-3,6,20,23-tetrol, 3-O-?-D-Glucuronopyranoside, 6-sulfate 	C34H54O14S	718.323427	NA	MeJP	NA	NA
+PJ021399	GTQEER 	C27H46N10O13	718.3246	NA	PeJP	NA	NA
+PJ021400	GPQMMR 	C28H50N10O8S2	718.3255	NA	PeJP	NA	NA
+PJ021401	PCKWW 	C36H46N8O6S	718.3261	NA	PeJP	NA	NA
+PJ021402	QKEEW 	C32H46N8O11	718.3286	NA	PeJP	NA	NA
+PJ021403	GGGGPVEF 	C32H46N8O11	718.3287	NA	PeJP	NA	NA
+PJ021404	GCNNRR 	C25H46N14O9S	718.3293	NA	PeJP	NA	NA
+PJ021405	AAHHHF 	C33H42N12O7	718.33	NA	PeJP	NA	NA
+PJ021406	SPQKEM 	C29H50N8O11S	718.332	NA	PeJP	NA	NA
+PJ021407	VQFYY 	C37H46N6O9	718.3326	NA	PeJP	NA	NA
+PJ021408	GGLFYY 	C37H46N6O9	718.3327	NA	PeJP	NA	NA
+PJ021409	ASDDRR 	C26H46N12O12	718.3358	NA	PeJP	NA	NA
+PJ021410	GSDERR 	C26H46N12O12	718.3359	NA	PeJP	NA	NA
+PJ021411	PPVEMF 	C34H50N6O9S	718.336	NA	PeJP	NA	NA
+PJ021412	GPCMRR 	C27H50N12O7S2	718.3367	NA	PeJP	NA	NA
+PJ021413	SLLEEE 	C30H50N6O14	718.3385	NA	PeJP	NA	NA
+PJ021414	PVLEMM 	C31H54N6O9S2	718.3394	NA	PeJP	NA	NA
+PJ021415	TQERW 	C31H46N10O10	718.3399	NA	PeJP	NA	NA
+PJ021416	GVQEMR 	C28H50N10O10S	718.3432	NA	PeJP	NA	NA
+PJ021417	GGALDMR 	C28H50N10O10S	718.3433	NA	PeJP	NA	NA
+PJ021418	AKEWW 	C36H46N8O8	718.3439	NA	PeJP	NA	NA
+MJ091860	Kidamycin F0 	C40H50N2O10	718.346545	NA	MeJP	NA	NA
+PJ021419	GPTKMW 	C33H50N8O8S	718.3473	NA	PeJP	NA	NA
+PJ021420	SSSPTLQ 	C29H50N8O13	718.3497	NA	PeJP	NA	NA
+PJ021421	GKKEEE 	C29H50N8O13	718.3498	NA	PeJP	NA	NA
+PJ021422	PVNKMM 	C30H54N8O8S2	718.3506	NA	PeJP	NA	NA
+PJ021423	SDRRW 	C30H46N12O9	718.3511	NA	PeJP	NA	NA
+PJ021424	KMFFF 	C38H50N6O6S	718.3513	NA	PeJP	NA	NA
+MJ091861	Nordine 	C46H46N4O4	718.351905	NA	MeJP	NA	NA
+PJ021425	PPTLEY 	C34H50N6O11	718.3538	NA	PeJP	NA	NA
+PJ021426	QEMRR 	C27H50N12O9S	718.3545	NA	PeJP	NA	NA
+PJ021427	ATRWW 	C35H46N10O7	718.3551	NA	PeJP	NA	NA
+MJ091862	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 25-Ac, 2-O-?-D-glucopyranoside 	C38H54O13	718.356441	NA	MeJP	NA	NA
+PJ021428	VVLEEM 	C31H54N6O11S	718.3572	NA	PeJP	NA	NA
+PJ021429	VQMRW 	C32H50N10O7S	718.3585	NA	PeJP	NA	NA
+PJ021430	GTKEER 	C28H50N10O12	718.361	NA	PeJP	NA	NA
+MJ091863	Reticulatine A 	C44H50N2O7	718.361801	NA	MeJP	NA	NA
+PJ021431	GPKMMR 	C29H54N10O7S2	718.3619	NA	PeJP	NA	NA
+PJ021432	AAQHHR 	C29H46N14O8	718.3623	NA	PeJP	NA	NA
+PJ021433	GGGVHHR 	C29H46N14O8	718.3624	NA	PeJP	NA	NA
+PJ021434	KKEEW 	C33H50N8O10	718.365	NA	PeJP	NA	NA
+PJ021435	CERRR 	C26H50N14O8S	718.3657	NA	PeJP	NA	NA
+PJ021436	SPKKEM 	C30H54N8O10S	718.3684	NA	PeJP	NA	NA
+PJ021437	VKFYY 	C38H50N6O8	718.369	NA	PeJP	NA	NA
+MJ091864	Antibiotic A 54556; Antibiotic A 54556A 	C38H50N6O8	718.369012	NA	MeJP	NA	NA
+PJ021438	AMRRW 	C31H50N12O6S	718.3697	NA	PeJP	NA	NA
+PJ021439	GTTERR 	C27H50N12O11	718.3722	NA	PeJP	NA	NA
+PJ021440	PPVLMY 	C35H54N6O8S	718.3724	NA	PeJP	NA	NA
+C09254	Vobtusine	C43H50N4O6	718.373	NA	KEGG	NA	NA
+MJ091865	Conodurine; 3-Oxo 	C43H50N4O6	718.373035	NA	MeJP	NA	NA
+MJ091866	Vincarubine 	C43H50N4O6	718.373035	NA	MeJP	NA	NA
+PJ021441	NHHRR 	C28H46N16O7	718.3736	NA	PeJP	NA	NA
+PJ021442	TKERW 	C32H50N10O9	718.3762	NA	PeJP	NA	NA
+PJ021443	GSTLRW 	C32H50N10O9	718.3763	NA	PeJP	NA	NA
+PJ021444	GVKEMR 	C29H54N10O9S	718.3796	NA	PeJP	NA	NA
+PJ021445	SLKWW 	C37H50N8O7	718.3803	NA	PeJP	NA	NA
+PJ021446	AALKMW 	C34H54N8O7S	718.3837	NA	PeJP	NA	NA
+PJ021447	SVKKEE 	C30H54N8O12	718.3861	NA	PeJP	NA	NA
+PJ021448	VTDKKE 	C30H54N8O12	718.3862	NA	PeJP	NA	NA
+PJ021449	PCLKKM 	C31H58N8O7S2	718.387	NA	PeJP	NA	NA
+7555	ACE inhibitor from soybean	PGTAVFK	718.387	antioxidative	Inhouse_peptide	NA	peptide
+PJ021450	TTRRW 	C31H50N12O8	718.3875	NA	PeJP	NA	NA
+7738	NA	IAYKPE~	718.388	antioxidative	Inhouse_peptide	NA	peptide
+PJ021451	PVVLEY 	C35H54N6O10	718.3902	NA	PeJP	NA	NA
+PJ021452	KEMRR 	C28H54N12O8S	718.3909	NA	PeJP	NA	NA
+PJ021453	LHFFR 	C36H50N10O6	718.3915	NA	PeJP	NA	NA
+PJ021454	TLLLEM 	C32H58N6O10S	718.3935	NA	PeJP	NA	NA
+PJ021455	VKMRW 	C33H54N10O6S	718.3949	NA	PeJP	NA	NA
+MJ091867	3,16,20,28-Lupanetetrol, 3-O-(2-O-Sulfo-?-D-glucopyranoside) 	C36H62O12S	718.396198	NA	MeJP	NA	NA
+MJ091868	3,20,21,28-Lupanetetrol, 3-O-(2-O-Sulfato-?-D-glucopyranoside) 	C36H62O12S	718.396198	NA	MeJP	NA	NA
+PJ021456	SSLKER 	C29H54N10O11	718.3974	NA	PeJP	NA	NA
+PJ021457	GPPHRR 	C30H50N14O7	718.3987	NA	PeJP	NA	NA
+PJ021458	ATTLKW 	C34H54N8O9	718.4014	NA	PeJP	NA	NA
+PJ021459	TMRRR 	C27H54N14O7S	718.4021	NA	PeJP	NA	NA
+PJ021460	ALKKEM 	C31H58N8O9S	718.4048	NA	PeJP	NA	NA
+PJ021461	PPVLFF 	C39H54N6O7	718.4054	NA	PeJP	NA	NA
+PJ021462	SSTLRR 	C28H54N12O10	718.4086	NA	PeJP	NA	NA
+PJ021463	PVLLMF 	C36H58N6O7S	718.4088	NA	PeJP	NA	NA
+MJ091869	Alstomacrophylline 	C44H54N4O5	718.40942	NA	MeJP	NA	NA
+MJ091870	Ervahainamidine A 	C44H54N4O5	718.40942	NA	MeJP	NA	NA
+MJ091871	Ervahainamidine B 	C44H54N4O5	718.40942	NA	MeJP	NA	NA
+MJ091872	Macralstonine; Me ether 	C44H54N4O5	718.40942	NA	MeJP	NA	NA
+PJ021464	VLLLMM 	C33H62N6O7S2	718.4122	NA	PeJP	NA	NA
+PJ021465	GPVKRY 	C33H54N10O8	718.4126	NA	PeJP	NA	NA
+PJ021466	GGGLLFR 	C33H54N10O8	718.4127	NA	PeJP	NA	NA
+PJ021467	ATLKMR 	C30H58N10O8S	718.416	NA	PeJP	NA	NA
+MJ091873	Incarvillateine 	C42H58N2O8	718.419316	NA	MeJP	NA	NA
+PJ021468	TTLKKE 	C31H58N8O11	718.4225	NA	PeJP	NA	NA
+PJ021469	PKRRY 	C32H54N12O7	718.4239	NA	PeJP	NA	NA
+PJ021470	PTLLLY 	C36H58N6O9	718.4266	NA	PeJP	NA	NA
+PJ021471	GCKKKR 	C29H58N12O7S	718.4273	NA	PeJP	NA	NA
+PJ021472	TTTLKR 	C30H58N10O10	718.4338	NA	PeJP	NA	NA
+PJ021473	APLKKY 	C35H58N8O8	718.4378	NA	PeJP	NA	NA
+PJ021474	SLLKKM 	C32H62N8O8S	718.4412	NA	PeJP	NA	NA
+PJ021475	GVLKFR 	C34H58N10O7	718.449	NA	PeJP	NA	NA
+PJ021476	GKKKKM 	C31H62N10O7S	718.4524	NA	PeJP	NA	NA
+PJ021477	LKFRR 	C33H58N12O6	718.4603	NA	PeJP	NA	NA
+PJ021478	VVLLLY 	C37H62N6O8	718.4629	NA	PeJP	NA	NA
+MJ091874	21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methylbutanoyl), 11-(2R-hydroxy-3R-methylpentanoyl) 	C41H66O10	718.465598	NA	MeJP	NA	NA
+PJ021479	STKKKK 	C31H62N10O9	718.4701	NA	PeJP	NA	NA
+PJ021480	ALLKKF 	C36H62N8O7	718.4742	NA	PeJP	NA	NA
+HMDB10586	PG(16:1(9Z)/16:1(9Z))	C38H71O10P	718.478455	NA	HMDB2010	NA	NA
+MJ091875	2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-(3,6-Anhydro-?-D-galacturonopyranoside) 	C42H70O9	718.501983	NA	MeJP	NA	NA
+HMDB07699	DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H74O5	718.55365	NA	HMDB2010	NA	NA
+HMDB07700	DG(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H74O5	718.55365	NA	HMDB2010	NA	NA
+HMDB07727	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H74O5	718.55365	NA	HMDB2010	NA	NA
+HMDB07756	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H74O5	718.55365	NA	HMDB2010	NA	NA
+EUR1046	SM(d18:0/18:0) [M-H-CH3]-	C41H85N2O6P	718.598876	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1046	SM(d18:0/18:0) [M-H-CH3]-	C41H85N2O6P	718.598876	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1046	SM(d18:0/18:0) [M-H-CH3]-	C41H85N2O6P	718.598876	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1046	SM(d18:0/18:0) [M-H-CH3]-	C41H85N2O6P	718.598876	masses lipides attendues	Inhousejuil11	NA	NA
+MJ091876	18-Hydroxy-18-pentadecyl-17-tetratriacontanone 	C49H98O2	718.756682	NA	MeJP	NA	NA
+MJ091877	24-Methylhexacosanoic acid; Docosyl ester 	C49H98O2	718.756682	NA	MeJP	NA	NA
+8253	Antioxidative peptide	LEELEEELEGCE	718.7835	MH2+	Inhouse_peptide	NA	peptide
+C02739	1-(5-Phospho-D-ribosyl)-ATP	C15H25N5O20P4	719.0043	NA	KEGG	NA	NA
+MJ091878	Phosphoribosyl-ATP 	C15H25N5O20P4	719.004334	NA	MeJP	NA	NA
+MetaCyc04075	phosphoribosyl-ATP [1-(5-Phosphoribosyl)-ATP;N1-(5-phospho-D-ribosyl)-ATP;5-phosphoribosyl-ATP;1-(5-phospho-D-ribosyl)-ATP;]	C15H25N5O20P4	719.004334	NA	metacyc	NA	NA
+PJ021481	GCCCCCE 	C22H37N7O10S5	719.1206	NA	PeJP	NA	NA
+PJ021482	CCCCCW 	C26H37N7O7S5	719.1358	NA	PeJP	NA	NA
+PJ021483	SSCCCCD 	C22H37N7O12S4	719.1383	NA	PeJP	NA	NA
+PJ021484	GTCCCCM 	C23H41N7O9S5	719.157	NA	PeJP	NA	NA
+PJ021485	CCCNDY 	C26H37N7O11S3	719.1713	NA	PeJP	NA	NA
+PJ021486	GGCCCDY 	C26H37N7O11S3	719.1714	NA	PeJP	NA	NA
+PJ021487	SSSCCCM 	C23H41N7O11S4	719.1747	NA	PeJP	NA	NA
+PJ021488	CCCNMF 	C27H41N7O8S4	719.19	NA	PeJP	NA	NA
+PJ021489	CCNDEH 	C25H37N9O12S2	719.2003	NA	PeJP	NA	NA
+PJ021490	GGCCDEH 	C25H37N9O12S2	719.2004	NA	PeJP	NA	NA
+PJ021491	SCCNMY 	C27H41N7O10S3	719.2077	NA	PeJP	NA	NA
+PJ021492	GCCDHW 	C29H37N9O9S2	719.2156	NA	PeJP	NA	NA
+PJ021493	GSSCDDH 	C25H37N9O14S	719.2181	NA	PeJP	NA	NA
+PJ021494	GPTCCCH 	C26H41N9O9S3	719.219	NA	PeJP	NA	NA
+PJ021495	GSPDDDD 	C26H37N7O17	719.2246	NA	PeJP	NA	NA
+PJ021496	GSSTCCY 	C27H41N7O12S2	719.2255	NA	PeJP	NA	NA
+PJ021497	NNNDDE 	C25H37N9O16	719.2359	NA	PeJP	NA	NA
+PJ021498	SCNEMH 	C26H41N9O11S2	719.2367	NA	PeJP	NA	NA
+PJ021499	PPCCDW 	C31H41N7O9S2	719.2407	NA	PeJP	NA	NA
+PJ021500	GGACCFY 	C31H41N7O9S2	719.2408	NA	PeJP	NA	NA
+MJ091879	Perdeacylevonine; 1,2,9,14-Tetra-Ac 	C34H41NO16	719.242534	NA	MeJP	NA	NA
+MJ091880	Perdeacylevonine; 1,6,9,14-Tetra-Ac 	C34H41NO16	719.242534	NA	MeJP	NA	NA
+PJ021501	SSSSSCY 	C27H41N7O14S	719.2432	NA	PeJP	NA	NA
+PJ021502	PNDDEM 	C27H41N7O14S	719.2433	NA	PeJP	NA	NA
+PJ021503	TCCCKY 	C28H45N7O9S3	719.2441	NA	PeJP	NA	NA
+PJ021504	DEMYY 	C32H41N5O12S	719.2473	NA	PeJP	NA	NA
+PJ021505	SCCDHR 	C25H41N11O10S2	719.248	NA	PeJP	NA	NA
+PJ021506	GNNDDW 	C29H37N9O13	719.2511	NA	PeJP	NA	NA
+PJ021507	GSCMHW 	C30H41N9O8S2	719.252	NA	PeJP	NA	NA
+PJ021508	PCDDDR 	C26H41N9O13S	719.2545	NA	PeJP	NA	NA
+PJ021509	GNMMMH 	C27H45N9O8S3	719.2554	NA	PeJP	NA	NA
+PJ021510	GPDDMW 	C31H41N7O11S	719.2585	NA	PeJP	NA	NA
+PJ021511	GQEEEE 	C27H41N7O16	719.261	NA	PeJP	NA	NA
+PJ021512	GSPPCEM 	C28H45N7O11S2	719.2619	NA	PeJP	NA	NA
+PJ021513	NNNNNM 	C25H41N11O12S	719.2657	NA	PeJP	NA	NA
+PJ021514	GGGGGGGGGGM 	C25H41N11O12S	719.2658	NA	PeJP	NA	NA
+PJ021515	EMMFY 	C33H45N5O9S2	719.2659	NA	PeJP	NA	NA
+PJ021516	ACCMHR 	C26H45N11O7S3	719.2666	NA	PeJP	NA	NA
+PJ021517	SSTCHW 	C30H41N9O10S	719.2697	NA	PeJP	NA	NA
+PJ021518	GGGGSPCW 	C30H41N9O10S	719.2698	NA	PeJP	NA	NA
+PJ021519	SSSSSEH 	C26H41N9O15	719.2722	NA	PeJP	NA	NA
+PJ021520	GDDEER 	C26H41N9O15	719.2723	NA	PeJP	NA	NA
+PJ021521	SSQMMH 	C27H45N9O10S2	719.2731	NA	PeJP	NA	NA
+PJ021522	PCEWW 	C35H41N7O8S	719.2738	NA	PeJP	NA	NA
+PJ021523	SSSNYY 	C31H41N7O13	719.2762	NA	PeJP	NA	NA
+PJ021524	QEEEW 	C31H41N7O13	719.2763	NA	PeJP	NA	NA
+PJ021525	SPPCMW 	C32H45N7O8S2	719.2771	NA	PeJP	NA	NA
+MJ091881	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3-Benzoyl, 17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetyl] 	C41H47Cl2NO6	719.278043	NA	MeJP	NA	NA
+PJ021526	SPQEEM 	C28H45N7O13S	719.2796	NA	PeJP	NA	NA
+PJ021527	PDYYY 	C36H41N5O11	719.2803	NA	PeJP	NA	NA
+PJ021528	PPNMMM 	C29H49N7O8S3	719.2805	NA	PeJP	NA	NA
+PJ021529	SNNDDR 	C25H41N11O14	719.2835	NA	PeJP	NA	NA
+PJ021530	SSCMHR 	C26H45N11O9S2	719.2843	NA	PeJP	NA	NA
+PJ021531	GGGAPCCR 	C26H45N11O9S2	719.2844	NA	PeJP	NA	NA
+PJ021532	CQHFW 	C34H41N9O7S	719.285	NA	PeJP	NA	NA
+MJ091882	Naphthomycin A 	C40H46ClNO9	719.286109	NA	MeJP	NA	NA
+PJ021533	DDERW 	C30H41N9O12	719.2875	NA	PeJP	NA	NA
+PJ021534	SPDDMR 	C27H45N9O12S	719.2909	NA	PeJP	NA	NA
+PJ021535	AEEWW 	C35H41N7O10	719.2915	NA	PeJP	NA	NA
+PJ021536	ACKMMH 	C28H49N9O7S3	719.2917	NA	PeJP	NA	NA
+PJ021537	GPTEMW 	C32H45N7O10S	719.2949	NA	PeJP	NA	NA
+PJ021538	GKEEEE 	C28H45N7O15	719.2974	NA	PeJP	NA	NA
+PJ021539	PVNEMM 	C29H49N7O10S2	719.2983	NA	PeJP	NA	NA
+PJ021540	SPNEHH 	C29H41N11O11	719.2987	NA	PeJP	NA	NA
+PJ021541	PMFYY 	C37H45N5O8S	719.2989	NA	PeJP	NA	NA
+PJ021542	GNNEMR 	C26H45N11O11S	719.3021	NA	PeJP	NA	NA
+PJ021543	LMMYY 	C34H49N5O8S2	719.3023	NA	PeJP	NA	NA
+PJ021544	SNQWW 	C34H41N9O9	719.3027	NA	PeJP	NA	NA
+PJ021545	GGSQWW 	C34H41N9O9	719.3028	NA	PeJP	NA	NA
+PJ021546	QQQMW 	C31H45N9O9S	719.3061	NA	PeJP	NA	NA
+PJ021547	GTEEER 	C27H45N9O14	719.3086	NA	PeJP	NA	NA
+PJ021548	GPEMMR 	C28H49N9O9S2	719.3095	NA	PeJP	NA	NA
+PJ021549	GNQQHH 	C28H41N13O10	719.31	NA	PeJP	NA	NA
+PJ021550	PTMWW 	C36H45N7O7S	719.3101	NA	PeJP	NA	NA
+PJ021551	APPCFW 	C36H45N7O7S	719.3102	NA	PeJP	NA	NA
+PJ021552	SPTTEW 	C32H45N7O12	719.3126	NA	PeJP	NA	NA
+PJ021553	KEEEW 	C32H45N7O12	719.3127	NA	PeJP	NA	NA
+PJ021554	GCNDRR 	C25H45N13O10S	719.3133	NA	PeJP	NA	NA
+PJ021555	GGGCDRR 	C25H45N13O10S	719.3134	NA	PeJP	NA	NA
+PJ021556	GPVMMW 	C33H49N7O7S2	719.3135	NA	PeJP	NA	NA
+PJ021557	GSPHHW 	C33H41N11O8	719.314	NA	PeJP	NA	NA
+PJ021558	SPKEEM 	C29H49N7O12S	719.316	NA	PeJP	NA	NA
+PJ021559	VEFYY 	C37H45N5O10	719.3167	NA	PeJP	NA	NA
+PJ021560	CQQRW 	C30H45N11O8S	719.3173	NA	PeJP	NA	NA
+PJ021561	NNMRW 	C30H45N11O8S	719.3174	NA	PeJP	NA	NA
+MJ091883	Maytansine; N-De-Ac, N-(2-methylpropanoyl) 	C36H50ClN3O10	719.318472	NA	MeJP	NA	NA
+PJ021562	SSNQER 	C26H45N11O13	719.3199	NA	PeJP	NA	NA
+PJ021563	PCCNKR 	C27H49N11O8S2	719.3207	NA	PeJP	NA	NA
+PJ021564	CKHFW 	C35H45N9O6S	719.3214	NA	PeJP	NA	NA
+PJ021565	TEERW 	C31H45N9O11	719.3239	NA	PeJP	NA	NA
+MJ091884	Antibiotic TMC 135A 	C39H49N3O8S	719.324036	NA	MeJP	NA	NA
+MJ091885	Antibiotic TMC 135B 	C39H49N3O8S	719.324036	NA	MeJP	NA	NA
+PJ021566	PMMRW 	C32H49N9O6S2	719.3248	NA	PeJP	NA	NA
+PJ021567	SPTEMR 	C28H49N9O11S	719.3272	NA	PeJP	NA	NA
+PJ021568	GVEEMR 	C28H49N9O11S	719.3273	NA	PeJP	NA	NA
+PJ021569	SLEWW 	C36H45N7O9	719.3279	NA	PeJP	NA	NA
+PJ021570	APCHHR 	C29H45N13O7S	719.3286	NA	PeJP	NA	NA
+PJ021571	AALEMW 	C33H49N7O9S	719.3313	NA	PeJP	NA	NA
+PJ021572	PFFFY 	C41H45N5O7	719.3319	NA	PeJP	NA	NA
+PJ021573	SVKEEE 	C29H49N7O14	719.3338	NA	PeJP	NA	NA
+PJ021574	PTLQMM 	C30H53N7O9S2	719.3346	NA	PeJP	NA	NA
+PJ021575	PVDKMM 	C30H53N7O9S2	719.3347	NA	PeJP	NA	NA
+PJ021576	GSSQRW 	C30H45N11O10	719.3351	NA	PeJP	NA	NA
+PJ021577	LMFFY 	C38H49N5O7S	719.3353	NA	PeJP	NA	NA
+PJ021578	EEMRR 	C27H49N11O10S	719.3385	NA	PeJP	NA	NA
+PJ021579	SNKWW 	C35H45N9O8	719.3391	NA	PeJP	NA	NA
+PJ021580	GGGVHFF 	C35H45N9O8	719.3392	NA	PeJP	NA	NA
+PJ021581	VEMRW 	C32H49N9O8S	719.3425	NA	PeJP	NA	NA
+PJ021582	SSLEER 	C28H49N9O13	719.345	NA	PeJP	NA	NA
+PJ021583	SPVMMR 	C29H53N9O8S2	719.3459	NA	PeJP	NA	NA
+PJ021584	SSPHHR 	C29H45N13O9	719.3463	NA	PeJP	NA	NA
+PJ021585	AAEHHR 	C29H45N13O9	719.3464	NA	PeJP	NA	NA
+PJ021586	VVMWW 	C37H49N7O6S	719.3465	NA	PeJP	NA	NA
+PJ021587	ATTLEW 	C33H49N7O11	719.349	NA	PeJP	NA	NA
+PJ021588	GSNMRR 	C26H49N13O9S	719.3497	NA	PeJP	NA	NA
+PJ021589	LQHHW 	C34H45N11O7	719.3504	NA	PeJP	NA	NA
+PJ021590	ALKEEM 	C30H53N7O11S	719.3524	NA	PeJP	NA	NA
+PJ021591	VLYYY 	C38H49N5O9	719.353	NA	PeJP	NA	NA
+PJ021592	CQKRW 	C31H49N11O7S	719.3537	NA	PeJP	NA	NA
+PJ021593	GACKRW 	C31H49N11O7S	719.3538	NA	PeJP	NA	NA
+PJ021594	SSNKER 	C27H49N11O12	719.3562	NA	PeJP	NA	NA
+PJ021595	GGGSSSLR 	C27H49N11O12	719.3563	NA	PeJP	NA	NA
+PJ021596	DHHRR 	C28H45N15O8	719.3576	NA	PeJP	NA	NA
+PJ021597	GSDKKW 	C32H49N9O10	719.3603	NA	PeJP	NA	NA
+PJ021598	ATLEMR 	C29H53N9O10S	719.3636	NA	PeJP	NA	NA
+PJ021599	GGAKKEM 	C29H53N9O10S	719.3637	NA	PeJP	NA	NA
+MJ091886	Segetalin C; 6-L-Serine analogue 	C37H49N7O8	719.364261	NA	MeJP	NA	NA
+PJ021600	AAPLYW 	C37H49N7O8	719.3643	NA	PeJP	NA	NA
+PJ021601	SSSQRR 	C26H49N13O11	719.3675	NA	PeJP	NA	NA
+PJ021602	GTLLMW 	C34H53N7O8S	719.3677	NA	PeJP	NA	NA
+PJ021603	LFFFF 	C42H49N5O6	719.3683	NA	PeJP	NA	NA
+PJ021604	TTLKEE 	C30H53N7O13	719.3702	NA	PeJP	NA	NA
+PJ021605	PTLKMM 	C31H57N7O8S2	719.371	NA	PeJP	NA	NA
+PJ021606	GSSKRW 	C31H49N11O9	719.3715	NA	PeJP	NA	NA
+PJ021607	GTQKMR 	C28H53N11O9S	719.3749	NA	PeJP	NA	NA
+PJ021608	PVRYW 	C36H49N9O7	719.3755	NA	PeJP	NA	NA
+PJ021609	QKKMW 	C33H53N9O7S	719.3789	NA	PeJP	NA	NA
+PJ021610	TTTLER 	C29H53N9O12	719.3814	NA	PeJP	NA	NA
+PJ021611	GLLMMR 	C30H57N9O7S2	719.3823	NA	PeJP	NA	NA
+PJ021612	NQFRR 	C30H49N13O8	719.3827	NA	PeJP	NA	NA
+PJ021613	GGGAFRR 	C30H49N13O8	719.3828	NA	PeJP	NA	NA
+7734	Ala-proctolin	ARYLPT	719.384	antioxidative	Inhouse_peptide	NA	peptide
+PJ021614	STTLLW 	C34H53N7O10	719.3854	NA	PeJP	NA	NA
+PJ021615	GTCKRR 	C27H53N13O8S	719.3861	NA	PeJP	NA	NA
+PJ021616	LKHHW 	C35H49N11O6	719.3868	NA	PeJP	NA	NA
+PJ021617	SLLKEM 	C31H57N7O10S	719.3888	NA	PeJP	NA	NA
+PJ021618	CKKRW 	C32H53N11O6S	719.3901	NA	PeJP	NA	NA
+PJ021619	SSDKKR 	C28H53N11O11	719.3926	NA	PeJP	NA	NA
+PJ021620	ASTKKW 	C33H53N9O9	719.3966	NA	PeJP	NA	NA
+PJ021621	GTTKKW 	C33H53N9O9	719.3967	NA	PeJP	NA	NA
+PJ021622	STLLMR 	C30H57N9O9S	719.4	NA	PeJP	NA	NA
+PJ021623	AALLFW 	C38H53N7O7	719.4007	NA	PeJP	NA	NA
+PJ021624	SSSKRR 	C27H53N13O10	719.4039	NA	PeJP	NA	NA
+PJ021625	PVVKMF 	C35H57N7O7S	719.4041	NA	PeJP	NA	NA
+PJ021626	SSSTLLL 	C31H57N7O12	719.4065	NA	PeJP	NA	NA
+PJ021627	VVLKMM 	C32H61N7O7S2	719.4074	NA	PeJP	NA	NA
+PJ021628	LEFRR 	C32H53N11O8	719.4079	NA	PeJP	NA	NA
+PJ021629	GTKKMR 	C29H57N11O8S	719.4113	NA	PeJP	NA	NA
+PJ021630	VLFRW 	C37H53N9O6	719.4119	NA	PeJP	NA	NA
+PJ021631	KKKMW 	C34H57N9O6S	719.4153	NA	PeJP	NA	NA
+PJ021632	STKKKE 	C30H57N9O11	719.4178	NA	PeJP	NA	NA
+PJ021633	NKFRR 	C31H53N13O7	719.4191	NA	PeJP	NA	NA
+PJ021634	SPLLKY 	C35H57N7O9	719.4218	NA	PeJP	NA	NA
+PJ021635	STTKKR 	C29H57N11O10	719.429	NA	PeJP	NA	NA
+3011	kinases inhibitor	KKALRRQAAVDAL	719.42945	MH2+	Inhouse_peptide	NA	peptide
+PJ021636	GVLLRY 	C34H57N9O8	719.433	NA	PeJP	NA	NA
+PJ021637	GGALKKF 	C34H57N9O8	719.4331	NA	PeJP	NA	NA
+PJ021638	SVKKKM 	C31H61N9O8S	719.4364	NA	PeJP	NA	NA
+PJ021639	LLRRY 	C33H57N11O7	719.4443	NA	PeJP	NA	NA
+MJ091887	2-Norerythromycin 	C36H65NO13	719.445591	NA	MeJP	NA	NA
+MJ091888	Erythromycin; 3''-O-De-Me 	C36H65NO13	719.445591	NA	MeJP	NA	NA
+MJ091889	Erythromycin; N-De-Me 	C36H65NO13	719.445591	NA	MeJP	NA	NA
+MJ091890	Erythromycin C 	C36H65NO13	719.445591	NA	MeJP	NA	NA
+C06616	Erythromycin C	C36H65NO13	719.4456	NA	KEGG	NA	NA
+MJ091891	Ahpatinin E 	C37H61N5O9	719.446928	NA	MeJP	NA	NA
+MJ091892	Ahpatinin F 	C37H61N5O9	719.446928	NA	MeJP	NA	NA
+PJ021640	ALLLKY 	C36H61N7O8	719.4582	NA	PeJP	NA	NA
+PJ021641	GLKKKF 	C35H61N9O7	719.4694	NA	PeJP	NA	NA
+HMDB07935	PC(15:0/16:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB07967	PC(16:0/15:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB08833	PE(14:0/20:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB08925	PE(16:0/18:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB08989	PE(18:0/16:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB09217	PE(20:0/14:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB10566	PE-NMe2(16:0/16:0)	C39H78NO8P	719.546509	NA	HMDB2010	NA	NA
+HMDB05318	GPEtn(16:0/18:0)[U]	C39H78NO8P	719.54651	http://www.hmdb.ca/metabolites/HMDB05318	HMDB	NA	NA
+HMDB05326	GPEtn(18:0/16:0)[U]	C39H78NO8P	719.54651	http://www.hmdb.ca/metabolites/HMDB05326	HMDB	NA	NA
+HMDB05335	GPEtn(20:0/14:0)[U]	C39H78NO8P	719.54651	http://www.hmdb.ca/metabolites/HMDB05335	HMDB	NA	NA
+HMDB05318	GPEtn(16:0/18:0)[U]	C39H78NO8P	719.54651	HMDB05318	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05326	GPEtn(18:0/16:0)[U]	C39H78NO8P	719.54651	HMDB05326	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05335	GPEtn(20:0/14:0)[U]	C39H78NO8P	719.54651	HMDB05335	PFEM_hmdb_metabocards_official	NA	NA
+MJ091893	Petrichloral 	C13H16Cl12O8	719.710749	NA	MeJP	NA	NA
+2999	kinases inhibitor	AKALRRQEAVDAL	719.90345	MH2+	Inhouse_peptide	NA	peptide
+3001	kinases inhibitor	KAALRRQEAVDAL	719.90345	MH2+	Inhouse_peptide	NA	peptide
+2998	kinases inhibitor	KKALRRAEAVDAL	719.92145	MH2+	Inhouse_peptide	NA	peptide
+HMDB03665	Phosphoribosyl-ATP	C15H26N5O20P4	720.012146	NA	HMDB2010	NA	NA
+HMDB03665	Phosphoribosyl-ATP	C15H26N5O20P4	720.01215	http://www.hmdb.ca/metabolites/HMDB03665	HMDB	NA	NA
+HMDB03665	Phosphoribosyl-ATP	C15H26N5O20P4	720.01215	HMDB03665	PFEM_hmdb_metabocards_official	NA	NA
+MJ091894	Emethallicin B 	C34H28N2O8S4	720.072848	NA	MeJP	NA	NA
+MJ091895	Garlandosus 	C27H28N8O10S3	720.109051	NA	MeJP	NA	NA
+MJ091896	5,7-Dihydroxyflavanone, 7-O-[4,6-[(S)-4,4',5,5',6,6'-Hexahydroxydiphenoyl]-?-D-glucopyranoside] 	C35H28O17	720.132649	NA	MeJP	NA	NA
+MJ091897	Pelliatin 	C35H28O17	720.132649	NA	MeJP	NA	NA
+MJ091898	Swertifrancheside 	C35H28O17	720.132649	NA	MeJP	NA	NA
+PJ021642	CCCDDY 	C26H36N6O12S3	720.1554	NA	PeJP	NA	NA
+PJ021643	CCCMMM 	C24H44N6O7S6	720.1596	NA	PeJP	NA	NA
+MJ091899	3'',4',4''',5,5'',7,7''-Heptahydroxy-3,8''-biflavanone; 3''-Deoxy, 3'''-hydroxy, 7''-O-?-D-glucopyranoside 	C36H32O16	720.169034	NA	MeJP	NA	NA
+MJ091900	Diinsinin; 3'-Hydroxy 	C36H32O16	720.169034	NA	MeJP	NA	NA
+MJ091901	Sagerinic acid 	C36H32O16	720.169034	NA	MeJP	NA	NA
+PJ021644	CCCDMF 	C27H40N6O9S4	720.174	NA	PeJP	NA	NA
+PJ021645	CCDDEH 	C25H36N8O13S2	720.1844	NA	PeJP	NA	NA
+PJ021646	SCCDMY 	C27H40N6O11S3	720.1917	NA	PeJP	NA	NA
+PJ021647	ACCMMY 	C28H44N6O8S4	720.2104	NA	PeJP	NA	NA
+MJ091902	Sanguidimerine 	C43H32N2O9	720.21078	NA	MeJP	NA	NA
+PJ021648	CCNNMH 	C25H40N10O9S3	720.2142	NA	PeJP	NA	NA
+PJ021649	NNDDDE 	C25H36N8O17	720.2199	NA	PeJP	NA	NA
+PJ021650	SCDEMH 	C26H40N8O12S2	720.2207	NA	PeJP	NA	NA
+PJ021651	PCCMMH 	C27H44N8O7S4	720.2216	NA	PeJP	NA	NA
+PJ021652	GCCEFY 	C31H40N6O10S2	720.2248	NA	PeJP	NA	NA
+PJ021653	PDDDEM 	C27H40N6O15S	720.2273	NA	PeJP	NA	NA
+PJ021654	SSCMMY 	C28H44N6O10S3	720.2281	NA	PeJP	NA	NA
+PJ021655	GSSCCQH 	C25H40N10O11S2	720.232	NA	PeJP	NA	NA
+PJ021656	GNDDDW 	C29H36N8O14	720.2351	NA	PeJP	NA	NA
+PJ021657	PCCDHF 	C30H40N8O9S2	720.236	NA	PeJP	NA	NA
+PJ021658	GSPCNDE 	C26H40N8O14S	720.2385	NA	PeJP	NA	NA
+PJ021659	GDMMMH 	C27H44N8O9S3	720.2394	NA	PeJP	NA	NA
+PJ021660	CCFYW 	C35H40N6O7S2	720.24	NA	PeJP	NA	NA
+PJ021661	GSCEYY 	C31H40N6O12S	720.2425	NA	PeJP	NA	NA
+PJ021662	ACCMFF 	C32H44N6O7S3	720.2434	NA	PeJP	NA	NA
+PJ021663	GEEEEE 	C27H40N6O17	720.245	NA	PeJP	NA	NA
+MJ091903	Argylioside; 8?-Hydroxy 	C31H44O19	720.247679	NA	MeJP	NA	NA
+MJ091904	Kickxin 	C31H44O19	720.247679	NA	MeJP	NA	NA
+PJ021664	SSSSCNH 	C25H40N10O13S	720.2497	NA	PeJP	NA	NA
+PJ021665	GGGGGGNDM 	C25H40N10O13S	720.2498	NA	PeJP	NA	NA
+PJ021666	CCCQKH 	C26H44N10O8S3	720.2506	NA	PeJP	NA	NA
+PJ021667	SPCNDW 	C30H40N8O11S	720.2538	NA	PeJP	NA	NA
+PJ021668	SSSPNDD 	C26H40N8O16	720.2562	NA	PeJP	NA	NA
+PJ021669	SNNEEE 	C26H40N8O16	720.2563	NA	PeJP	NA	NA
+PJ021670	SSEMMH 	C27H44N8O11S2	720.2571	NA	PeJP	NA	NA
+PJ021671	SCYYW 	C35H40N6O9S	720.2578	NA	PeJP	NA	NA
+PJ021672	GCMHHH 	C28H40N12O7S2	720.2585	NA	PeJP	NA	NA
+PJ021673	EEEEW 	C31H40N6O14	720.2603	NA	PeJP	NA	NA
+PJ021674	NMMYY 	C32H44N6O9S2	720.2611	NA	PeJP	NA	NA
+C08748	Azadirachtin A	C35H44O16	720.2629	NA	KEGG	NA	NA
+C11047	3-Acetyl-1-tigloylazadirachtinin	C35H44O16	720.2629	NA	KEGG	NA	NA
+MJ091905	1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran, 8-Ketone, 13-benzoyl, 3-(2-methylbutanoyl), 1,2,9,14-tetra-Ac 	C35H44O16	720.262935	NA	MeJP	NA	NA
+MJ091906	Azadirachtin 	C35H44O16	720.262935	NA	MeJP	NA	NA
+PJ021675	SPEEEM 	C28H44N6O14S	720.2637	NA	PeJP	NA	NA
+PJ021676	PPDMMM 	C29H48N6O9S3	720.2645	NA	PeJP	NA	NA
+PJ021677	GCNNQW 	C29H40N10O10S	720.265	NA	PeJP	NA	NA
+PJ021678	SNDDDR 	C25H40N10O15	720.2675	NA	PeJP	NA	NA
+PJ021679	PCCNER 	C26H44N10O10S2	720.2684	NA	PeJP	NA	NA
+PJ021680	CEHFW 	C34H40N8O8S	720.269	NA	PeJP	NA	NA
+PJ021681	GSNEEW 	C30H40N8O13	720.2715	NA	PeJP	NA	NA
+PJ021682	GPCQMW 	C31H44N8O8S2	720.2724	NA	PeJP	NA	NA
+PJ021683	GQQEEM 	C27H44N8O13S	720.2749	NA	PeJP	NA	NA
+PJ021684	NDFYY 	C35H40N6O11	720.2755	NA	PeJP	NA	NA
+PJ021685	ATMMMH 	C28H48N8O8S3	720.2757	NA	PeJP	NA	NA
+PJ021686	SCLMMH 	C28H48N8O8S3	720.2758	NA	PeJP	NA	NA
+PJ021687	STCHHH 	C28H40N12O9S	720.2762	NA	PeJP	NA	NA
+PJ021688	GSTMYY 	C32H44N6O11S	720.2789	NA	PeJP	NA	NA
+PJ021689	SVEEEE 	C28H44N6O16	720.2814	NA	PeJP	NA	NA
+PJ021690	PVDEMM 	C29H48N6O11S2	720.2823	NA	PeJP	NA	NA
+PJ021691	SSNNNW 	C29H40N10O12	720.2827	NA	PeJP	NA	NA
+PJ021692	GGGGSSNW 	C29H40N10O12	720.2828	NA	PeJP	NA	NA
+PJ021693	GPCCRW 	C30H44N10O7S2	720.2836	NA	PeJP	NA	NA
+PJ021694	GNDEMR 	C26H44N10O12S	720.2861	NA	PeJP	NA	NA
+PJ021695	SNEWW 	C34H40N8O10	720.2868	NA	PeJP	NA	NA
+PJ021696	CCCKKH 	C27H48N10O7S3	720.287	NA	PeJP	NA	NA
+PJ021697	QQEMW 	C31H44N8O10S	720.2901	NA	PeJP	NA	NA
+PJ021698	GGGVDMW 	C31H44N8O10S	720.2902	NA	PeJP	NA	NA
+PJ021699	SNDKEE 	C27H44N8O15	720.2926	NA	PeJP	NA	NA
+PJ021700	GGGATTEE 	C27H44N8O15	720.2927	NA	PeJP	NA	NA
+PJ021701	TTTMMH 	C28H48N8O10S2	720.2935	NA	PeJP	NA	NA
+PJ021702	GNQEHH 	C28H40N12O11	720.294	NA	PeJP	NA	NA
+PJ021703	NMFFY 	C36H44N6O8S	720.2941	NA	PeJP	NA	NA
+PJ021704	GGMFFY 	C36H44N6O8S	720.2942	NA	PeJP	NA	NA
+PJ021705	SSTTYY 	C32H44N6O13	720.2966	NA	PeJP	NA	NA
+PJ021706	SPPEEY 	C32H44N6O13	720.2967	NA	PeJP	NA	NA
+PJ021707	SCNNQR 	C25H44N12O11S	720.2973	NA	PeJP	NA	NA
+PJ021708	GCDDRR 	C25H44N12O11S	720.2974	NA	PeJP	NA	NA
+MJ091907	3,20-Epoxy-8,11,13-abietatriene-3,7,11,12-tetrol, 12-O-Tetra-O-acetyl-?-D-glucopyranoside, 7-Ac 	C36H48O15	720.29932	NA	MeJP	NA	NA
+MJ091908	Javanicinoside F 	C36H48O15	720.29932	NA	MeJP	NA	NA
+MJ091909	Nymania 1 	C36H48O15	720.29932	NA	MeJP	NA	NA
+PJ021709	ALEEEM 	C29H48N6O13S	720.3	NA	PeJP	NA	NA
+PJ021710	NDMRW 	C30H44N10O9S	720.3014	NA	PeJP	NA	NA
+PJ021711	GSWWW 	C38H40N8O7	720.302	NA	PeJP	NA	NA
+PJ021712	SSNEER 	C26H44N10O14	720.3039	NA	PeJP	NA	NA
+PJ021713	SPCQMR 	C27H48N10O9S2	720.3047	NA	PeJP	NA	NA
+PJ021714	PCCDKR 	C27H48N10O9S2	720.3048	NA	PeJP	NA	NA
+PJ021715	AQMWW 	C35H44N8O7S	720.3054	NA	PeJP	NA	NA
+PJ021716	GSDKEW 	C31H44N8O12	720.3079	NA	PeJP	NA	NA
+PJ021717	GPCKMW 	C32H48N8O7S2	720.3088	NA	PeJP	NA	NA
+PJ021718	NQHHW 	C32H40N12O8	720.3092	NA	PeJP	NA	NA
+PJ021719	GGGAHHW 	C32H40N12O8	720.3093	NA	PeJP	NA	NA
+PJ021720	GQKEEM 	C28H48N8O12S	720.3113	NA	PeJP	NA	NA
+PJ021721	VNYYY 	C36H44N6O10	720.3119	NA	PeJP	NA	NA
+MJ091910	Ritonavir 	C37H48N6O5S2	720.31276	NA	MeJP	NA	NA
+C07240	Ritonavir	C37H48N6O5S2	720.3128	NA	KEGG	NA	NA
+MJ091911	5,6;12,15-Diepoxy-3,7,9,11,14-jatrophanepentol, 3,14-Dibenzoyl, 7,9,11-tri-Ac 	C40H48O12	720.314577	NA	MeJP	NA	NA
+MJ091912	Nimbolidin A 	C40H48O12	720.314577	NA	MeJP	NA	NA
+PJ021722	GSSSNNR 	C25H44N12O13	720.3151	NA	PeJP	NA	NA
+PJ021723	PPVDMY 	C33H48N6O10S	720.3153	NA	PeJP	NA	NA
+PJ021724	SPCCRR 	C26H48N12O8S2	720.316	NA	PeJP	NA	NA
+PJ021725	ACRWW 	C34H44N10O6S	720.3166	NA	PeJP	NA	NA
+PJ021726	TTLEEE 	C29H48N6O15	720.3178	NA	PeJP	NA	NA
+PJ021727	PTLEMM 	C30H52N6O10S2	720.3187	NA	PeJP	NA	NA
+PJ021728	GSSERW 	C30H44N10O11	720.3191	NA	PeJP	NA	NA
+PJ021729	GGGGGGVNF 	C30H44N10O11	720.3192	NA	PeJP	NA	NA
+PJ021730	MMHFR 	C31H48N10O6S2	720.32	NA	PeJP	NA	NA
+PJ021731	GPHHHH 	C31H40N14O7	720.3205	NA	PeJP	NA	NA
+PJ021732	GTQEMR 	C27H48N10O11S	720.3225	NA	PeJP	NA	NA
+PJ021733	SDKWW 	C35H44N8O9	720.3231	NA	PeJP	NA	NA
+PJ021734	GATTWW 	C35H44N8O9	720.3232	NA	PeJP	NA	NA
+PJ021735	QKEMW 	C32H48N8O9S	720.3265	NA	PeJP	NA	NA
+PJ021736	NFFFF 	C40H44N6O7	720.3272	NA	PeJP	NA	NA
+PJ021737	STQKEE 	C28H48N8O14	720.329	NA	PeJP	NA	NA
+PJ021738	SPQKMM 	C29H52N8O9S2	720.3299	NA	PeJP	NA	NA
+PJ021739	GNNNFR 	C29H44N12O10	720.3304	NA	PeJP	NA	NA
+PJ021740	APLEEY 	C33H48N6O12	720.3331	NA	PeJP	NA	NA
+PJ021741	GSDMRR 	C26H48N12O10S	720.3337	NA	PeJP	NA	NA
+PJ021742	GGGGSCKR 	C26H48N12O10S	720.3338	NA	PeJP	NA	NA
+PJ021743	PPVMMF 	C34H52N6O7S2	720.3339	NA	PeJP	NA	NA
+PJ021744	SSRWW 	C34H44N10O8	720.3344	NA	PeJP	NA	NA
+MJ091913	Javanicinoside E 	C37H52O14	720.335706	NA	MeJP	NA	NA
+PJ021745	SLLEEM 	C30H52N6O12S	720.3364	NA	PeJP	NA	NA
+PJ021746	PVLMMM 	C31H56N6O7S3	720.3373	NA	PeJP	NA	NA
+PJ021747	TQMRW 	C31H48N10O8S	720.3377	NA	PeJP	NA	NA
+PJ021748	GATMRW 	C31H48N10O8S	720.3378	NA	PeJP	NA	NA
+PJ021749	STTQER 	C27H48N10O13	720.3402	NA	PeJP	NA	NA
+PJ021750	SSDKER 	C27H48N10O13	720.3403	NA	PeJP	NA	NA
+PJ021751	GVQMMR 	C28H52N10O8S2	720.3411	NA	PeJP	NA	NA
+PJ021752	GSQHHR 	C28H44N14O9	720.3416	NA	PeJP	NA	NA
+PJ021753	AKMWW 	C36H48N8O6S	720.3418	NA	PeJP	NA	NA
+PJ021754	GTTKEW 	C32H48N8O11	720.3443	NA	PeJP	NA	NA
+PJ021755	NKHHW 	C33H44N12O7	720.3456	NA	PeJP	NA	NA
+PJ021756	GSPTTKM 	C29H52N8O11S	720.3476	NA	PeJP	NA	NA
+PJ021757	GKKEEM 	C29H52N8O11S	720.3477	NA	PeJP	NA	NA
+8342	fragment 43-48 of bovine lactoferrin	LECIRA	720.348	Short chain acyl carnitines  ;SYN:(R)-3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-1-Propanaminium inner salt; (R)-Caproylcarnitine; Hexanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; Hexanoyl-L-carnitine; L-Carnitine hexanoyl ester; L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; L-Hexanoylcarnitine; Hexanoate; L-Hexanoate; Hexanoic acid; L-Hexanoic acidH2Blood	Inhouse_peptide	NA	peptide
+PJ021758	TKFYY 	C37H48N6O9	720.3483	NA	PeJP	NA	NA
+PJ021759	TCRRW 	C30H48N12O7S	720.349	NA	PeJP	NA	NA
+PJ021760	SSSERR 	C26H48N12O12	720.3515	NA	PeJP	NA	NA
+PJ021761	PPTLMY 	C34H52N6O9S	720.3517	NA	PeJP	NA	NA
+MJ091914	Rausutrine 	C42H48N4O7	720.352299	NA	MeJP	NA	NA
+PJ021762	QMMRR 	C27H52N12O7S2	720.3524	NA	PeJP	NA	NA
+PJ021763	VVLEMM 	C31H56N6O9S2	720.3551	NA	PeJP	NA	NA
+PJ021764	GTTTRW 	C31H48N10O10	720.3555	NA	PeJP	NA	NA
+PJ021765	GTKEMR 	C28H52N10O10S	720.3589	NA	PeJP	NA	NA
+PJ021766	TTKWW 	C36H48N8O8	720.3595	NA	PeJP	NA	NA
+PJ021767	GGGVVFW 	C36H48N8O8	720.3596	NA	PeJP	NA	NA
+PJ021768	KKEMW 	C33H52N8O8S	720.3629	NA	PeJP	NA	NA
+PJ021769	CMRRR 	C26H52N14O6S2	720.3636	NA	PeJP	NA	NA
+PJ021770	STKKEE 	C29H52N8O13	720.3654	NA	PeJP	NA	NA
+MJ091915	Feneritrol 	C45H52O8	720.366218	NA	MeJP	NA	NA
+PJ021771	SPKKMM 	C30H56N8O8S2	720.3663	NA	PeJP	NA	NA
+PJ021772	NEFRR 	C30H48N12O9	720.3667	NA	PeJP	NA	NA
+PJ021773	GGEFRR 	C30H48N12O9	720.3668	NA	PeJP	NA	NA
+PJ021774	SPLLEY 	C34H52N6O11	720.3694	NA	PeJP	NA	NA
+PJ021775	GTTMRR 	C27H52N12O9S	720.3701	NA	PeJP	NA	NA
+PJ021776	VNFRW 	C35H48N10O7	720.3708	NA	PeJP	NA	NA
+MJ091916	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro, 25-Ac, 2-O-?-D-glucopyranoside 	C38H56O13	720.372091	NA	MeJP	NA	NA
+MJ091917	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 2-Ac, 16-O-?-D-glucopyranoside 	C38H56O13	720.372091	NA	MeJP	NA	NA
+MJ091918	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 25-Ac, 2-O-?-D-glucopyranoside 	C38H56O13	720.372091	NA	MeJP	NA	NA
+PJ021777	TKMRW 	C32H52N10O7S	720.3741	NA	PeJP	NA	NA
+PJ021778	ALLMHH 	C32H52N10O7S	720.3742	NA	PeJP	NA	NA
+MJ091919	Stigmast-4-ene-3,6,8,15,16,29-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 15-sulfate 	C35H60O13S	720.375462	NA	MeJP	NA	NA
+PJ021779	STTKER 	C28H52N10O12	720.3766	NA	PeJP	NA	NA
+PJ021780	GGGSSTKK 	C28H52N10O12	720.3767	NA	PeJP	NA	NA
+PJ021781	GVKMMR 	C29H56N10O7S2	720.3775	NA	PeJP	NA	NA
+PJ021782	GSKHHR 	C29H48N14O8	720.378	NA	PeJP	NA	NA
+PJ021783	SSTLKW 	C33H52N8O10	720.3807	NA	PeJP	NA	NA
+PJ021784	GFRRW 	C34H48N12O6	720.382	NA	PeJP	NA	NA
+PJ021785	SVKKEM 	C30H56N8O10S	720.384	NA	PeJP	NA	NA
+MJ091920	Antibiotic A 54556; Antibiotic A 54556D 	C38H52N6O8	720.384662	NA	MeJP	NA	NA
+PJ021786	PPVVFY 	C38H52N6O8	720.3847	NA	PeJP	NA	NA
+PJ021787	STTTRR 	C27H52N12O11	720.3879	NA	PeJP	NA	NA
+PJ021788	PVVLMY 	C35H56N6O8S	720.3881	NA	PeJP	NA	NA
+MJ091921	12,12'-Bis(11-hydroxycoronaridine); Mono-Me ether 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091922	Cabufiline; Deepoxy, O-de-Me 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091923	Camptinine 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091924	Conoduramine; 19',20'-Epoxy 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091925	Conoduramine; 19R-Hydroxy 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091926	Conoduramine; 3-Hydroxy 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091927	Conodurine; 19R-Hydroxy 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091928	Conodurine; 3-Hydroxy 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091929	Deformylcoryzeylamine 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091930	Voacamine; 3-Hydroxy 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091931	Voacamine; Nb-Oxide 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+MJ091932	Voacorine 	C43H52N4O6	720.388685	NA	MeJP	NA	NA
+C09156	Epivoacorine	C43H52N4O6	720.3887	NA	KEGG	NA	NA
+PJ021789	KMMRR 	C28H56N12O6S2	720.3888	NA	PeJP	NA	NA
+PJ021790	TLLLMM 	C32H60N6O8S2	720.3914	NA	PeJP	NA	NA
+PJ021791	GPTKRY 	C32H52N10O9	720.3919	NA	PeJP	NA	NA
+PJ021792	SSLKMR 	C29H56N10O9S	720.3953	NA	PeJP	NA	NA
+PJ021793	PKKYW 	C37H52N8O7	720.3959	NA	PeJP	NA	NA
+PJ021794	APKKMF 	C34H56N8O7S	720.3993	NA	PeJP	NA	NA
+2984	kinases inhibitor	KKAGRRQEAVDAL	720.40045	MH2+	Inhouse_peptide	NA	peptide
+PJ021795	SSSSLLK 	C30H56N8O12	720.4018	NA	PeJP	NA	NA
+PJ021796	ALKKMM 	C31H60N8O7S2	720.4027	NA	PeJP	NA	NA
+PJ021797	VQRRY 	C31H52N12O8	720.4031	NA	PeJP	NA	NA
+PJ021798	GGPVVHR 	C31H52N12O8	720.4032	NA	PeJP	NA	NA
+7574	ACE inhibitor from sarcoplasmic beef rump	VLAQYK	720.404	antioxidative	Inhouse_peptide	NA	peptide
+PJ021799	ALLLEY 	C35H56N6O10	720.4058	NA	PeJP	NA	NA
+1	Sarcoplasmic	VLAQYK	720.406	celiac toxic	Inhouse_peptide	NA	peptide
+6	Muscle	VLAQYK	720.406	celiac toxic	Inhouse_peptide	NA	peptide
+MJ091933	18,24:20,24-Diepoxycycloartane-3,15,16,25-tetrol, 3-O-?-D-Xylopyranoside, 15,16-di-Ac 	C39H60O12	720.408477	NA	MeJP	NA	NA
+MJ091934	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside] 	C39H60O12	720.408477	NA	MeJP	NA	NA
+MJ091935	Bafilomycin C1 	C39H60O12	720.408477	NA	MeJP	NA	NA
+MJ091936	Fevicordin F; O25-Butyl, 2-O-?-D-glucopyranoside 	C39H60O12	720.408477	NA	MeJP	NA	NA
+PJ021800	GSSSKKK 	C29H56N10O11	720.413	NA	PeJP	NA	NA
+PJ021801	ARRRY 	C30H52N14O7	720.4144	NA	PeJP	NA	NA
+PJ021802	AVLQKY 	C34H56N8O9	720.417	NA	PeJP	NA	NA
+PJ021803	SPVKKY 	C34H56N8O9	720.4171	NA	PeJP	NA	NA
+PJ021804	TTLKKM 	C31H60N8O9S	720.4204	NA	PeJP	NA	NA
+PJ021805	PVVLFF 	C39H56N6O7	720.4211	NA	PeJP	NA	NA
+MJ091937	Daphnetoxin; 20-Hexadecanoyl 	C43H60O9	720.423733	NA	MeJP	NA	NA
+MJ091938	Neosartortuic acid; Me ester 	C43H60O9	720.423733	NA	MeJP	NA	NA
+PJ021806	VVLLMF 	C36H60N6O7S	720.4245	NA	PeJP	NA	NA
+PJ021807	PHRRR 	C29H52N16O6	720.4256	NA	PeJP	NA	NA
+PJ021808	AALKRY 	C33H56N10O8	720.4283	NA	PeJP	NA	NA
+PJ021809	SCKKKK 	C30H60N10O8S	720.4317	NA	PeJP	NA	NA
+PJ021810	LKKFW 	C38H56N8O6	720.4323	NA	PeJP	NA	NA
+PJ021811	VKRRY 	C32H56N12O7	720.4395	NA	PeJP	NA	NA
+PJ021812	SLLLLY 	C36H60N6O9	720.4422	NA	PeJP	NA	NA
+MJ091939	Cumingianoside F; 3-Ac 	C40H64O11	720.444862	NA	MeJP	NA	NA
+MJ091940	Cumingianoside G; 23,25-Dideoxy, 23,25-epoxy, 3,6'-di-Ac 	C40H64O11	720.444862	NA	MeJP	NA	NA
+MJ091941	Cumingianoside G; 25-Deoxy, 25,26-didehydro, 3,6'-di-Ac 	C40H64O11	720.444862	NA	MeJP	NA	NA
+MJ091942	Dermostatin; Dermostatin A 	C40H64O11	720.444862	NA	MeJP	NA	NA
+MJ091943	Irumamycin; 3'-O-Decarbamoyl 	C40H64O11	720.444862	NA	MeJP	NA	NA
+MJ091944	Pouoside C 	C40H64O11	720.444862	NA	MeJP	NA	NA
+PJ021813	GLLKKY 	C35H60N8O8	720.4534	NA	PeJP	NA	NA
+PJ021814	GPPPLLK 	C35H60N8O8	720.4535	NA	PeJP	NA	NA
+MJ091945	14-Serratene-3,21-diol, 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-arabinopyranoside] 	C44H64O8	720.460119	NA	MeJP	NA	NA
+MJ091946	14-Serratene-3,21-diol, 3-O-[4-Hydroxycinnamoyl-(?2 or 3)-?-L-arabinopyranoside] 	C44H64O8	720.460119	NA	MeJP	NA	NA
+MJ091947	14-Serratene-3,21-diol, 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-arabinopyranoside] 	C44H64O8	720.460119	NA	MeJP	NA	NA
+PJ021815	PVLKKH 	C34H60N10O7	720.4647	NA	PeJP	NA	NA
+MJ091948	20(29)-Lupen-3-ol, [?-D-Xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H68O10	720.481248	NA	MeJP	NA	NA
+MJ091949	Brunefungin 	C41H68O10	720.481248	NA	MeJP	NA	NA
+MJ091950	Flavopentin 	C41H68O10	720.481248	NA	MeJP	NA	NA
+MJ091951	Stigmasta-5,24(28)-dien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H68O10	720.481248	NA	MeJP	NA	NA
+PJ021816	LLLLLH 	C36H64N8O7	720.4898	NA	PeJP	NA	NA
+HMDB10571	PG(16:0/16:1(9Z))	C38H73O10P	720.494141	NA	HMDB2010	NA	NA
+HMDB10585	PG(16:1(9Z)/16:0)	C38H73O10P	720.494141	NA	HMDB2010	NA	NA
+MJ091952	Dunaimycin C1; 10-Deoxy 	C42H72O9	720.517633	NA	MeJP	NA	NA
+HMDB07672	DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H76O5	720.569275	NA	HMDB2010	NA	NA
+HMDB07698	DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H76O5	720.569275	NA	HMDB2010	NA	NA
+HMDB07784	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)	C47H76O5	720.569275	NA	HMDB2010	NA	NA
+MJ091953	2-[3,7,11,15,19,23-Hexamethyl-25-(2,6,6-trimethyl-2-cyclohexenyl)pentacosa-2,14,18,22-tetraenyl]-3-methyl-1,4-naphthoquinone 	C51H76O2	720.584531	NA	MeJP	NA	NA
+MetaCyc04076	menaquinol [Menaquinol 8;reduced menaquinone;vitamin K2;]	C51H76O2	720.584532	NA	metacyc	NA	NA
+MJ091954	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol 	C45H84O6	720.62679	NA	MeJP	NA	NA
+MJ091955	12-Oleanen-3-ol, O-Eicosanoyl 	C50H88O2	720.678432	NA	MeJP	NA	NA
+MJ091956	12-Ursen-3-ol, Eicosanoyl 	C50H88O2	720.678432	NA	MeJP	NA	NA
+MJ091957	20(29)-Lupen-3-ol, Eicosanoyl 	C50H88O2	720.678432	NA	MeJP	NA	NA
+MJ091958	Ergost-5-en-3-ol, 13E-Docosenoyl 	C50H88O2	720.678432	NA	MeJP	NA	NA
+PJ021817	GCCCCCM 	C22H39N7O8S6	721.1185	NA	PeJP	NA	NA
+PJ021818	STCCCCC 	C22H39N7O10S5	721.1362	NA	PeJP	NA	NA
+MJ091959	Tris(1,3-diphenyl-1,3-propanedionato-O,O')chromium(III) 	C45H33CrO6	721.168225	NA	MeJP	NA	NA
+PJ021819	CCCCQY 	C26H39N7O9S4	721.1692	NA	PeJP	NA	NA
+MJ091960	Celenamide A 	C34H36BrN5O8	721.174725	NA	MeJP	NA	NA
+PJ021820	GPCCCCH 	C25H39N9O8S4	721.1805	NA	PeJP	NA	NA
+PJ021821	GSSCCCY 	C26H39N7O11S3	721.187	NA	PeJP	NA	NA
+PJ021822	CCNDMH 	C25H39N9O10S3	721.1982	NA	PeJP	NA	NA
+PJ021823	NDDDDE 	C25H35N7O18	721.2039	NA	PeJP	NA	NA
+PJ021824	CCCCKY 	C27H43N7O8S4	721.2056	NA	PeJP	NA	NA
+PJ021825	ACCCHW 	C29H39N9O7S3	721.2135	NA	PeJP	NA	NA
+PJ021826	GSSCCEH 	C25H39N9O12S2	721.216	NA	PeJP	NA	NA
+PJ021827	GDDDDW 	C29H35N7O15	721.2192	NA	PeJP	NA	NA
+PJ021828	GCCNYY 	C30H39N7O10S2	721.22	NA	PeJP	NA	NA
+PJ021829	GSPCDDE 	C26H39N7O15S	721.2225	NA	PeJP	NA	NA
+PJ021830	GPPCCDM 	C27H43N7O10S3	721.2234	NA	PeJP	NA	NA
+PJ021831	SSCCHW 	C29H39N9O9S2	721.2312	NA	PeJP	NA	NA
+PJ021832	SSSSCDH 	C25H39N9O14S	721.2337	NA	PeJP	NA	NA
+PJ021833	GGNNDDM 	C25H39N9O14S	721.2338	NA	PeJP	NA	NA
+PJ021834	SCNMMH 	C26H43N9O9S3	721.2346	NA	PeJP	NA	NA
+PJ021835	SPCDDW 	C30H39N7O12S	721.2378	NA	PeJP	NA	NA
+PJ021836	SNDEEE 	C26H39N7O17	721.2403	NA	PeJP	NA	NA
+PJ021837	PNDDMM 	C27H43N7O12S2	721.2411	NA	PeJP	NA	NA
+PJ021838	GGPDDMM 	C27H43N7O12S2	721.2412	NA	PeJP	NA	NA
+PJ021839	GSCNNNN 	C24H39N11O13S	721.245	NA	PeJP	NA	NA
+PJ021840	DMMYY 	C32H43N5O10S2	721.2452	NA	PeJP	NA	NA
+PJ021841	TCCCHR 	C25H43N11O8S3	721.2459	NA	PeJP	NA	NA
+PJ021842	GCNNEW 	C29H39N9O11S	721.249	NA	PeJP	NA	NA
+PJ021843	SDDDDR 	C25H39N9O16	721.2515	NA	PeJP	NA	NA
+PJ021844	PCCDER 	C26H43N9O11S2	721.2524	NA	PeJP	NA	NA
+PJ021845	GSDEEW 	C30H39N7O14	721.2555	NA	PeJP	NA	NA
+PJ021846	GPCEMW 	C31H43N7O9S2	721.2564	NA	PeJP	NA	NA
+MJ091961	Perdeacyleuojaponin; 8-Epimer, 1,2,9,14-tetra-Ac 	C34H43NO16	721.258184	NA	MeJP	NA	NA
+MJ091962	Perdeacyleuojaponin; 8-Epimer, 1,6,9,14-tetra-Ac 	C34H43NO16	721.258184	NA	MeJP	NA	NA
+PJ021847	GQEEEM 	C27H43N7O14S	721.2589	NA	PeJP	NA	NA
+PJ021848	DDFYY 	C35H39N5O12	721.2595	NA	PeJP	NA	NA
+PJ021849	GSPPCMM 	C28H47N7O9S3	721.2598	NA	PeJP	NA	NA
+PJ021850	PCNDHH 	C28H39N11O10S	721.2602	NA	PeJP	NA	NA
+PJ021851	GGPCDHH 	C28H39N11O10S	721.2603	NA	PeJP	NA	NA
+PJ021852	MMMFY 	C33H47N5O7S3	721.2638	NA	PeJP	NA	NA
+PJ021853	CNNWW 	C33H39N9O8S	721.2642	NA	PeJP	NA	NA
+PJ021854	GGCNWW 	C33H39N9O8S	721.2643	NA	PeJP	NA	NA
+PJ021855	SSNNDW 	C29H39N9O13	721.2668	NA	PeJP	NA	NA
+PJ021856	GCQMHF 	C30H43N9O8S2	721.2676	NA	PeJP	NA	NA
+PJ021857	GDDEMR 	C26H43N9O13S	721.2701	NA	PeJP	NA	NA
+PJ021858	GGGGGGTEM 	C26H43N9O13S	721.2702	NA	PeJP	NA	NA
+PJ021859	SDEWW 	C34H39N7O11	721.2708	NA	PeJP	NA	NA
+PJ021860	TCCKMH 	C27H47N9O8S3	721.271	NA	PeJP	NA	NA
+PJ021861	PCMWW 	C35H43N7O6S2	721.2716	NA	PeJP	NA	NA
+PJ021862	QEEMW 	C31H43N7O11S	721.2742	NA	PeJP	NA	NA
+PJ021863	STQEEE 	C27H43N7O16	721.2766	NA	PeJP	NA	NA
+PJ021864	TTNEEE 	C27H43N7O16	721.2767	NA	PeJP	NA	NA
+PJ021865	SPQEMM 	C28H47N7O11S2	721.2775	NA	PeJP	NA	NA
+PJ021866	GNEEHH 	C28H39N11O12	721.278	NA	PeJP	NA	NA
+PJ021867	DMFFY 	C36H43N5O9S	721.2782	NA	PeJP	NA	NA
+PJ021868	GCCHFR 	C29H43N11O7S2	721.2789	NA	PeJP	NA	NA
+PJ021869	SCNNER 	C25H43N11O12S	721.2814	NA	PeJP	NA	NA
+C18072	N1,N5,N10-Tri-(hydroxyferuloyl)-spermidine	C37H43N3O12	721.2847	NA	KEGG	NA	NA
+PJ021870	DDMRW 	C30H43N9O10S	721.2854	NA	PeJP	NA	NA
+PJ021871	SSDEER 	C26H43N9O15	721.2879	NA	PeJP	NA	NA
+C03170	Trypanothione disulfide	C27H47N9O10S2	721.2887	NA	KEGG	NA	NA
+PJ021872	ANQQMM 	C27H47N9O10S2	721.2887	NA	PeJP	NA	NA
+MJ091963	Trypanothione 	C27H47N9O10S2	721.28873	NA	MeJP	NA	NA
+PJ021873	SPCEMR 	C27H47N9O10S2	721.2888	NA	PeJP	NA	NA
+PJ021874	SNNNHH 	C27H39N13O11	721.2892	NA	PeJP	NA	NA
+PJ021875	GGGGGGSHH 	C27H39N13O11	721.2893	NA	PeJP	NA	NA
+PJ021876	AEMWW 	C35H43N7O8S	721.2894	NA	PeJP	NA	NA
+PJ021877	GTTEEW 	C31H43N7O13	721.2919	NA	PeJP	NA	NA
+PJ021878	GPTMMW 	C32H47N7O8S2	721.2928	NA	PeJP	NA	NA
+PJ021879	NEHHW 	C32H39N11O9	721.2932	NA	PeJP	NA	NA
+PJ021880	GGEHHW 	C32H39N11O9	721.2933	NA	PeJP	NA	NA
+PJ021881	GKEEEM 	C28H47N7O13S	721.2953	NA	PeJP	NA	NA
+PJ021882	VDYYY 	C36H43N5O11	721.2959	NA	PeJP	NA	NA
+PJ021883	PVNMMM 	C29H51N7O8S3	721.2962	NA	PeJP	NA	NA
+PJ021884	GSCNRW 	C29H43N11O9S	721.2966	NA	PeJP	NA	NA
+PJ021885	MMFFF 	C37H47N5O6S2	721.2968	NA	PeJP	NA	NA
+PJ021886	GSSSNDR 	C25H43N11O14	721.2991	NA	PeJP	NA	NA
+PJ021887	GNNMMR 	C26H47N11O9S2	721.3	NA	PeJP	NA	NA
+PJ021888	SSSQQW 	C30H43N9O12	721.3031	NA	PeJP	NA	NA
+PJ021889	GGGGSTTW 	C30H43N9O12	721.3032	NA	PeJP	NA	NA
+PJ021890	PPCCFR 	C31H47N9O7S2	721.304	NA	PeJP	NA	NA
+PJ021891	GTEEMR 	C27H47N9O12S	721.3065	NA	PeJP	NA	NA
+PJ021892	TTEWW 	C35H43N7O10	721.3072	NA	PeJP	NA	NA
+PJ021893	GPMMMR 	C28H51N9O7S3	721.3074	NA	PeJP	NA	NA
+PJ021894	GHHWW 	C36H39N11O6	721.3085	NA	PeJP	NA	NA
+PJ021895	KEEMW 	C32H47N7O10S	721.3105	NA	PeJP	NA	NA
+PJ021896	GGPVDMF 	C32H47N7O10S	721.3106	NA	PeJP	NA	NA
+PJ021897	GCCQRR 	C25H47N13O8S2	721.3112	NA	PeJP	NA	NA
+PJ021898	STKEEE 	C28H47N7O15	721.313	NA	PeJP	NA	NA
+PJ021899	SPKEMM 	C29H51N7O10S2	721.3139	NA	PeJP	NA	NA
+PJ021900	GNNDFR 	C29H43N11O11	721.3144	NA	PeJP	NA	NA
+PJ021901	VMFYY 	C37H47N5O8S	721.3146	NA	PeJP	NA	NA
+PJ021902	SSNQMR 	C26H47N11O11S	721.3177	NA	PeJP	NA	NA
+PJ021903	GGGGSTMR 	C26H47N11O11S	721.3178	NA	PeJP	NA	NA
+PJ021904	NQQFW 	C34H43N9O9	721.3184	NA	PeJP	NA	NA
+PJ021905	TEMRW 	C31H47N9O9S	721.3218	NA	PeJP	NA	NA
+PJ021906	APYWW 	C39H43N7O7	721.3224	NA	PeJP	NA	NA
+PJ021907	STTEER 	C27H47N9O14	721.3243	NA	PeJP	NA	NA
+PJ021908	AVDMMR 	C28H51N9O9S2	721.3251	NA	PeJP	NA	NA
+PJ021909	GVEMMR 	C28H51N9O9S2	721.3252	NA	PeJP	NA	NA
+PJ021910	GSEHHR 	C28H43N13O10	721.3256	NA	PeJP	NA	NA
+PJ021911	SLMWW 	C36H47N7O7S	721.3258	NA	PeJP	NA	NA
+PJ021912	SSTLEW 	C32H47N7O12	721.3283	NA	PeJP	NA	NA
+PJ021913	SSCNRR 	C25H47N13O10S	721.329	NA	PeJP	NA	NA
+PJ021914	AALMMW 	C33H51N7O7S2	721.3292	NA	PeJP	NA	NA
+PJ021915	DKHHW 	C33H43N11O8	721.3296	NA	PeJP	NA	NA
+PJ021916	SVKEEM 	C29H51N7O12S	721.3317	NA	PeJP	NA	NA
+PJ021917	TLYYY 	C37H47N5O10	721.3323	NA	PeJP	NA	NA
+PJ021918	PCLKMM 	C30H55N7O7S3	721.3325	NA	PeJP	NA	NA
+PJ021919	GLQMHH 	C30H47N11O8S	721.333	NA	PeJP	NA	NA
+PJ021920	PPHWW 	C38H43N9O6	721.3337	NA	PeJP	NA	NA
+PJ021921	GSSSTQR 	C26H47N11O13	721.3355	NA	PeJP	NA	NA
+PJ021922	EMMRR 	C27H51N11O8S2	721.3364	NA	PeJP	NA	NA
+PJ021923	SSSQKW 	C31H47N9O11	721.3395	NA	PeJP	NA	NA
+PJ021924	GGGGGGVVY 	C31H47N9O11	721.3396	NA	PeJP	NA	NA
+PJ021925	VMMRW 	C32H51N9O6S2	721.3404	NA	PeJP	NA	NA
+PJ021926	SHHRW 	C32H43N13O7	721.3409	NA	PeJP	NA	NA
+PJ021927	SSLEMR 	C28H51N9O11S	721.3429	NA	PeJP	NA	NA
+PJ021928	PKEYW 	C36H47N7O9	721.3435	NA	PeJP	NA	NA
+MJ091964	Yunnanin C 	C36H47N7O9	721.343526	NA	MeJP	NA	NA
+PJ021929	GSPLYW 	C36H47N7O9	721.3436	NA	PeJP	NA	NA
+PJ021930	AAMHHR 	C29H47N13O7S	721.3442	NA	PeJP	NA	NA
+PJ021931	GCLHHR 	C29H47N13O7S	721.3443	NA	PeJP	NA	NA
+2694	NA	GGCTLREWLHGGFCGG	721.3445	MH2+	Inhouse_peptide	NA	peptide
+PJ021932	ATTLMW 	C33H51N7O9S	721.3469	NA	PeJP	NA	NA
+PJ021933	VFFFY 	C41H47N5O7	721.3476	NA	PeJP	NA	NA
+PJ021934	SSSSLLE 	C29H51N7O14	721.3494	NA	PeJP	NA	NA
+PJ021935	ALKEMM 	C30H55N7O9S2	721.3503	NA	PeJP	NA	NA
+PJ021936	QQQRY 	C30H47N11O10	721.3507	NA	PeJP	NA	NA
+PJ021937	GAQQRY 	C30H47N11O10	721.3508	NA	PeJP	NA	NA
+PJ021938	SSNKMR 	C27H51N11O10S	721.3541	NA	PeJP	NA	NA
+PJ021939	PTRYW 	C35H47N9O8	721.3548	NA	PeJP	NA	NA
+PJ021940	GTCKKW 	C32H51N9O8S	721.3582	NA	PeJP	NA	NA
+PJ021941	ALFWW 	C40H47N7O6	721.3588	NA	PeJP	NA	NA
+PJ021942	SSSSVQK 	C28H51N9O13	721.3606	NA	PeJP	NA	NA
+PJ021943	GSSSKKE 	C28H51N9O13	721.3607	NA	PeJP	NA	NA
+PJ021944	ATLMMR 	C29H55N9O8S2	721.3615	NA	PeJP	NA	NA
+PJ021945	NNRRY 	C29H47N13O9	721.362	NA	PeJP	NA	NA
+PJ021946	TTTTLW 	C33H51N7O11	721.3647	NA	PeJP	NA	NA
+PJ021947	GPKHHF 	C34H47N11O7	721.366	NA	PeJP	NA	NA
+PJ021948	ASSTLLM 	C30H55N7O11S	721.368	NA	PeJP	NA	NA
+PJ021949	TTLKEM 	C30H55N7O11S	721.3681	NA	PeJP	NA	NA
+PJ021950	PMRRY 	C31H51N11O7S	721.3694	NA	PeJP	NA	NA
+2827	PEP inhibitor	MPPPLPA	721.3694	NA	Inhouse_peptide	NA	peptide
+PJ021951	GSSSTKR 	C27H51N11O12	721.3719	NA	PeJP	NA	NA
+PJ021952	GCKKMR 	C28H55N11O7S2	721.3728	NA	PeJP	NA	NA
+PJ021953	SSSKKW 	C32H51N9O10	721.3759	NA	PeJP	NA	NA
+PJ021954	TTTLMR 	C29H55N9O10S	721.3793	NA	PeJP	NA	NA
+PJ021955	LLQYW 	C37H51N7O8	721.3799	NA	PeJP	NA	NA
+PJ021956	GAAPLFF 	C37H51N7O8	721.38	NA	PeJP	NA	NA
+PJ021957	APLKMY 	C34H55N7O8S	721.3833	NA	PeJP	NA	NA
+2791	precursor of thyrotropin hormone (1-6)	KRQHPG	721.384	antibacterial	Inhouse_peptide	NA	peptide
+PJ021958	SSTTTLL 	C30H55N7O13	721.3858	NA	PeJP	NA	NA
+PJ021959	SLLKMM 	C31H59N7O8S2	721.3867	NA	PeJP	NA	NA
+PJ021960	LDRRY 	C31H51N11O9	721.3871	NA	PeJP	NA	NA
+MJ091965	Anabolliberin 	C31H51N11O9	721.387122	NA	MeJP	NA	NA
+PJ021961	VERRY 	C31H51N11O9	721.3872	NA	PeJP	NA	NA
+MJ091966	Fumonisin A1; 4R-Hydroxy, 5-deoxy, N2-de-Ac 	C34H59NO15	721.38847	NA	MeJP	NA	NA
+MJ091967	Fumonisin A1; N2-De-Ac 	C34H59NO15	721.38847	NA	MeJP	NA	NA
+PJ021962	STCKKR 	C28H55N11O9S	721.3905	NA	PeJP	NA	NA
+PJ021963	VVRYW 	C36H51N9O7	721.3912	NA	PeJP	NA	NA
+PJ021964	GVLMFR 	C33H55N9O7S	721.3946	NA	PeJP	NA	NA
+PJ021965	GSTTTKK 	C29H55N9O12	721.397	NA	PeJP	NA	NA
+PJ021966	GKKKMM 	C30H59N9O7S2	721.3979	NA	PeJP	NA	NA
+PJ021967	GPQKHR 	C30H51N13O8	721.3984	NA	PeJP	NA	NA
+PJ021968	GLLKEY 	C34H55N7O10	721.4011	NA	PeJP	NA	NA
+PJ021969	PFFRR 	C35H51N11O6	721.4024	NA	PeJP	NA	NA
+PJ021970	LMFRR 	C32H55N11O6S	721.4058	NA	PeJP	NA	NA
+PJ021971	GTLLRY 	C33H55N9O9	721.4123	NA	PeJP	NA	NA
+PJ021972	STKKKM 	C30H59N9O9S	721.4157	NA	PeJP	NA	NA
+PJ021973	LLKYW 	C38H55N7O7	721.4163	NA	PeJP	NA	NA
+PJ021974	ALLKMF 	C35H59N7O7S	721.4197	NA	PeJP	NA	NA
+PJ021975	QKKRY 	C32H55N11O8	721.4235	NA	PeJP	NA	NA
+PJ021976	GAPPPKR 	C32H55N11O8	721.4236	NA	PeJP	NA	NA
+PJ021977	GPKKHR 	C31H55N13O7	721.4348	NA	PeJP	NA	NA
+PJ021978	SVLLKY 	C35H59N7O9	721.4374	NA	PeJP	NA	NA
+PJ021979	TTLLKF 	C35H59N7O9	721.4375	NA	PeJP	NA	NA
+MJ091968	Solanidine; O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091969	Solanidine; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091970	Spirosol-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?1)-?-L-rhamnopyranos-4-yl] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091971	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091972	Spirosol-5-en-3-ol, 3-O-[D-Glucopyranosyl-(1??)-L-mannopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091973	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091974	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091975	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091976	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H63NO11	721.440111	NA	MeJP	NA	NA
+MJ091977	15-Norerythromycin A; 11-Deoxy, 11S-fluoro 	C36H64FNO12	721.441254	NA	MeJP	NA	NA
+MJ091978	Carmabin A; 9,9,10,10-Tetrahydro, 9-oxo 	C40H59N5O7	721.441449	NA	MeJP	NA	NA
+PJ021980	GVKKKY 	C34H59N9O8	721.4487	NA	PeJP	NA	NA
+PJ021981	KKKRY 	C33H59N11O7	721.4599	NA	PeJP	NA	NA
+PJ021982	GPPILLL 	C36H63N7O8	721.4738	NA	PeJP	NA	NA
+PJ021983	GPPLLLL 	C36H63N7O8	721.4739	NA	PeJP	NA	NA
+PJ021984	VLLLKH 	C35H63N9O7	721.4851	NA	PeJP	NA	NA
+HMDB09215	PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))	C41H72NO7P	721.504639	NA	HMDB2010	NA	NA
+HMDB09216	PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z))	C41H72NO7P	721.504639	NA	HMDB2010	NA	NA
+HMDB09477	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)	C41H72NO7P	721.504639	NA	HMDB2010	NA	NA
+HMDB11354	PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	C41H72NO7P	721.504639	NA	HMDB2010	NA	NA
+HMDB11412	PE(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	C41H72NO7P	721.504639	NA	HMDB2010	NA	NA
+HMDB11445	PE(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C41H72NO7P	721.504639	NA	HMDB2010	NA	NA
+EUR1057	SM(d18:1/14:0) [M+FA-H]-	C37H76N2O6P	721.548981	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1057	SM(d18:1/14:0) [M+FA-H]-	C37H76N2O6P	721.548981	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1057	SM(d18:1/14:0) [M+FA-H]-	C37H76N2O6P	721.548981	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1057	SM(d18:1/14:0) [M+FA-H]-	C37H76N2O6P	721.548981	masses lipides attendues	Inhousejuil11	NA	NA
+FL1DA9GS0002	Thonningianin B	C35H30O17	722.14829	271579-12-5	knapsack	NA	NA
+MJ091979	Thonningianin B 	C35H30O17	722.148299	NA	MeJP	NA	NA
+PJ021985	CCCCEY 	C26H38N6O10S4	722.1533	NA	PeJP	NA	NA
+FL5FACGA0036	Quercetin 3-(2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl)(1->6)-galactoside	C32H34O19	722.16942	157072-31-6	knapsack	NA	NA
+FL5FACGL0062	Quercetin 3-(2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl)(1->6)-glucoside	C32H34O19	722.16942	-	knapsack	NA	NA
+FL5FACGL0063	Quercetin 3-(2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl)(1->6)-glucoside	C32H34O19	722.16942	149507-87-9	knapsack	NA	NA
+MJ091980	Hyperin; 6''-O-(2,3,4-Tri-O-acetyl-?-L-arabinopyranosyl) 	C32H34O19	722.169428	NA	MeJP	NA	NA
+MJ091981	Isoquercitrin; 6''-O-(2,3,4-Tri-O-acetyl-?-L-arabinopyranosyl) 	C32H34O19	722.169428	NA	MeJP	NA	NA
+MJ091982	Isoquercitrin; 6''-O-(2,3,5-Tri-O-acetyl-?-L-arabinofuranosyl) 	C32H34O19	722.169428	NA	MeJP	NA	NA
+MJ091983	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-(6-O-acetyl-?-D-glucopyranoside) 	C32H35O19(+)	722.169428	NA	MeJP	NA	NA
+PJ021986	CCDDMH 	C25H38N8O11S3	722.1823	NA	PeJP	NA	NA
+MJ091984	3',4',5,7-Tetrahydroxyflavan(4?8)-3',4',5,7-tetrahydroxyflavanone; 5-O-?-D-Glucopyranoside 	C36H34O16	722.184685	NA	MeJP	NA	NA
+PJ021987	DDDDDE 	C25H34N6O19	722.1879	NA	PeJP	NA	NA
+PJ021988	TCCCMY 	C27H42N6O9S4	722.1896	NA	PeJP	NA	NA
+PJ021989	GSCCCNH 	C24H38N10O10S3	722.1935	NA	PeJP	NA	NA
+MJ091985	7-Hydroxy-4'-methoxyisoflavone; 7-O-[2,6-Bis-O-(4-hydroxy-E-cinnamoyl)-?-D-glucopyranoside] 	C40H34O13	722.199941	NA	MeJP	NA	NA
+PJ021990	GPCCNDD 	C25H38N8O13S2	722.2	NA	PeJP	NA	NA
+MJ091986	Brostallicin 	C30H35BrN12O5	722.203674	NA	MeJP	NA	NA
+PJ021991	GCCDYY 	C30H38N6O11S2	722.204	NA	PeJP	NA	NA
+FL3FAACS0039	6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin	C33H38O18	722.20581	156998-79-7	knapsack	NA	NA
+MJ091987	Isoviolanthin; 6'''-O-(3-Hydroxy-3-methylglutaroyl) 	C33H38O18	722.205814	NA	MeJP	NA	NA
+PJ021992	NNDDDM 	C25H38N8O15S	722.2178	NA	PeJP	NA	NA
+PJ021993	SCDMMH 	C26H42N8O10S3	722.2186	NA	PeJP	NA	NA
+MJ091988	KS 506g 	C38H42O10S2	722.221938	NA	MeJP	NA	NA
+PJ021994	GCCMFY 	C31H42N6O8S3	722.2227	NA	PeJP	NA	NA
+PJ021995	SDDEEE 	C26H38N6O18	722.2243	NA	PeJP	NA	NA
+PJ021996	PDDDMM 	C27H42N6O13S2	722.2252	NA	PeJP	NA	NA
+MJ091989	Aeruginosin 98A; 5'-Chloro 	C29H44Cl2N6O9S	722.226753	NA	MeJP	NA	NA
+PJ021997	GSCNNND 	C24H38N10O14S	722.229	NA	PeJP	NA	NA
+MJ091990	Jaspamide; ?4,35-Isomer, 5-oxo 	C36H43BrN4O7	722.231512	NA	MeJP	NA	NA
+MJ091991	Sarcodonin 	C36H38N2O14	722.232303	NA	MeJP	NA	NA
+PJ021998	GCNDEW 	C29H38N8O12S	722.233	NA	PeJP	NA	NA
+PJ021999	GSSNDDE 	C25H38N8O17	722.2355	NA	PeJP	NA	NA
+PJ022000	GSPCNDM 	C26H42N8O12S2	722.2364	NA	PeJP	NA	NA
+PJ022001	ACMMMH 	C27H46N8O7S4	722.2373	NA	PeJP	NA	NA
+PJ022002	SCCHHH 	C27H38N12O8S2	722.2377	NA	PeJP	NA	NA
+MJ091992	Aclatonium(1+), 1,5-Naphthalenedisulfonate (2:1) 	C30H46N2O14S2	722.239045	NA	MeJP	NA	NA
+PJ022003	PDDDDF 	C30H38N6O15	722.2396	NA	PeJP	NA	NA
+PJ022004	GSCMYY 	C31H42N6O10S2	722.2404	NA	PeJP	NA	NA
+FLIF1LGF0005	Amorphigenol O-vicianoside;Amorphol	C34H42O17	722.24219	53947-91-4	knapsack	NA	NA
+MJ091993	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-2,4-di-O-acetyl-?-D-glucopyranoside] 	C34H42O17	722.242199	NA	MeJP	NA	NA
+MJ091994	Catalpol; 10-O-E-Cinnamoyl, 6-O-(2,3-di-O-acetyl-?-L-rhamnopyranoside) 	C34H42O17	722.242199	NA	MeJP	NA	NA
+MJ091995	Catalpol; 6-O-(3-O-E-Cinnamoyl-2,4-di-O-acetyl-?-L-rhamnopyranoside) 	C34H42O17	722.242199	NA	MeJP	NA	NA
+PJ022005	GEEEEM 	C27H42N6O15S	722.2429	NA	PeJP	NA	NA
+PJ022006	PCDDHH 	C28H38N10O11S	722.2443	NA	PeJP	NA	NA
+MJ091996	Citbismine D 	C40H38N2O11	722.24756	NA	MeJP	NA	NA
+PJ022007	CNNNQM 	C25H42N10O11S2	722.2476	NA	PeJP	NA	NA
+PJ022008	GGGGGGGACM 	C25H42N10O11S2	722.2477	NA	PeJP	NA	NA
+PJ022009	CNDWW 	C33H38N8O9S	722.2483	NA	PeJP	NA	NA
+PJ022010	SSNDDW 	C29H38N8O14	722.2508	NA	PeJP	NA	NA
+PJ022011	SPCCQW 	C30H42N8O9S2	722.2516	NA	PeJP	NA	NA
+PJ022012	GCEMHF 	C30H42N8O9S2	722.2517	NA	PeJP	NA	NA
+PJ022013	SNNEEM 	C26H42N8O14S	722.2541	NA	PeJP	NA	NA
+PJ022014	GGSNEEM 	C26H42N8O14S	722.2542	NA	PeJP	NA	NA
+PJ022015	SSMMMH 	C27H46N8O9S3	722.255	NA	PeJP	NA	NA
+PJ022016	GCCFFF 	C35H42N6O7S2	722.2557	NA	PeJP	NA	NA
+MJ091997	11,12-Epoxy-1,2,3,5,7,8,15-heptahydroxy-6(17)-jatrophene-9,14-dione, 5,7-Dibenzoyl, 3,15-di-Ac 	C38H42O14	722.257456	NA	MeJP	NA	NA
+MJ091998	Phleichrome; 14,21-Diepimer, 14,21-bis(3R-hydroxybutanoyl) 	C38H42O14	722.257456	NA	MeJP	NA	NA
+C09122	Kansuinine B	C38H42O14	722.2575	NA	KEGG	NA	NA
+PJ022017	EEEMW 	C31H42N6O12S	722.2582	NA	PeJP	NA	NA
+PJ022018	CCNNNR 	C24H42N12O10S2	722.2589	NA	PeJP	NA	NA
+PJ022019	STEEEE 	C27H42N6O17	722.2607	NA	PeJP	NA	NA
+PJ022020	SPEEMM 	C28H46N6O12S2	722.2615	NA	PeJP	NA	NA
+PJ022021	GDEEHH 	C28H38N10O13	722.262	NA	PeJP	NA	NA
+MJ091999	Radiatoside F 	C31H46O19	722.263329	NA	MeJP	NA	NA
+PJ022022	SCNDER 	C25H42N10O13S	722.2654	NA	PeJP	NA	NA
+PJ022023	PCCNMR 	C26H46N10O8S3	722.2663	NA	PeJP	NA	NA
+PJ022024	CMHFW 	C34H42N8O6S2	722.2669	NA	PeJP	NA	NA
+PJ022025	GSNEMW 	C30H42N8O11S	722.2694	NA	PeJP	NA	NA
+PJ022026	GSSSQEE 	C26H42N8O16	722.2719	NA	PeJP	NA	NA
+PJ022027	GQQEMM 	C27H46N8O11S2	722.2728	NA	PeJP	NA	NA
+PJ022028	SNNDHH 	C27H38N12O12	722.2732	NA	PeJP	NA	NA
+PJ022029	GGSNDHH 	C27H38N12O12	722.2733	NA	PeJP	NA	NA
+PJ022030	CQFYY 	C35H42N6O9S	722.2734	NA	PeJP	NA	NA
+PJ022031	GPEEEY 	C31H42N6O14	722.2759	NA	PeJP	NA	NA
+PJ022032	PPCEMF 	C32H46N6O9S2	722.2768	NA	PeJP	NA	NA
+PJ022033	DEHHW 	C32H38N10O10	722.2773	NA	PeJP	NA	NA
+MJ092000	Azadirachtin; O1-Detigloyl, O1-(2-methylbutanoyl) 	C35H46O16	722.278585	NA	MeJP	NA	NA
+MJ092001	Azadirachtin; O1-Detigloyl, O1-(3-methylbutanoyl) 	C35H46O16	722.278585	NA	MeJP	NA	NA
+MJ092002	Javanicinoside B; 2-O-De-Ac 	C35H46O16	722.278585	NA	MeJP	NA	NA
+PJ022034	SVEEEM 	C28H46N6O14S	722.2793	NA	PeJP	NA	NA
+PJ022035	PVDMMM 	C29H50N6O9S3	722.2802	NA	PeJP	NA	NA
+PJ022036	GSCDRW 	C29H42N10O10S	722.2806	NA	PeJP	NA	NA
+PJ022037	GSSSDDR 	C25H42N10O15	722.2831	NA	PeJP	NA	NA
+PJ022038	GGGGGGSSST 	C25H42N10O15	722.2832	NA	PeJP	NA	NA
+7774	phosphophoryn biomimetic peptide	DSKSDSSKSESDSS	722.28335	MH2+	Inhouse_peptide	NA	peptide
+MJ092003	Przewaline 	C41H42N2O10	722.283945	NA	MeJP	NA	NA
+PJ022039	GNDMMR 	C26H46N10O10S2	722.284	NA	PeJP	NA	NA
+PJ022040	SNMWW 	C34H42N8O8S	722.2846	NA	PeJP	NA	NA
+PJ022041	GGSMWW 	C34H42N8O8S	722.2847	NA	PeJP	NA	NA
+PJ022042	SSSQEW 	C30H42N8O13	722.2872	NA	PeJP	NA	NA
+PJ022043	QQMMW 	C31H46N8O8S2	722.288	NA	PeJP	NA	NA
+MJ092004	Tubocurarine(2+), N,O,O-Tri-Me, dichloride 	C40H48Cl2N2O6	722.288942	NA	MeJP	NA	NA
+PJ022044	SNDKEM 	C27H46N8O13S	722.2905	NA	PeJP	NA	NA
+PJ022045	PEEYW 	C35H42N6O11	722.2912	NA	PeJP	NA	NA
+PJ022046	PCNKMM 	C28H50N8O8S3	722.2914	NA	PeJP	NA	NA
+PJ022047	GNQMHH 	C28H42N12O9S	722.2919	NA	PeJP	NA	NA
+PJ022048	SPPEMY 	C32H46N6O11S	722.2946	NA	PeJP	NA	NA
+PJ022049	ACCDRR 	C25H46N12O9S2	722.2952	NA	PeJP	NA	NA
+PJ022050	GCCERR 	C25H46N12O9S2	722.2953	NA	PeJP	NA	NA
+PJ022051	ALEEMM 	C29H50N6O11S2	722.2979	NA	PeJP	NA	NA
+PJ022052	GNNQQY 	C29H42N10O12	722.2984	NA	PeJP	NA	NA
+PJ022053	CQMRW 	C30H46N10O7S2	722.2993	NA	PeJP	NA	NA
+MJ092005	Cholesta-9(11),24-diene-3,6,20-triol, 6-O-[6-Deoxy-4-O-sulfo-?-D-glucopyranoside], 3-sulfate 	C33H54O13S2	722.300583	NA	MeJP	NA	NA
+PJ022054	SSNEMR 	C26H46N10O12S	722.3018	NA	PeJP	NA	NA
+PJ022055	GSSTWW 	C34H42N8O10	722.3024	NA	PeJP	NA	NA
+PJ022056	GCNHHR 	C27H42N14O8S	722.3031	NA	PeJP	NA	NA
+PJ022057	GSDKMW 	C31H46N8O10S	722.3058	NA	PeJP	NA	NA
+PJ022058	GSSSKEE 	C27H46N8O15	722.3083	NA	PeJP	NA	NA
+PJ022059	SVQQMM 	C28H50N8O10S2	722.3091	NA	PeJP	NA	NA
+PJ022060	GQKEMM 	C28H50N8O10S2	722.3092	NA	PeJP	NA	NA
+PJ022061	SSQQHH 	C28H42N12O11	722.3096	NA	PeJP	NA	NA
+PJ022062	GGGGGGPQH 	C28H42N12O11	722.3097	NA	PeJP	NA	NA
+PJ022063	CKFYY 	C36H46N6O8S	722.3098	NA	PeJP	NA	NA
+PJ022064	CCRRW 	C29H46N12O6S2	722.3105	NA	PeJP	NA	NA
+PJ022065	SPVEEY 	C32H46N6O13	722.3123	NA	PeJP	NA	NA
+PJ022066	SSCDRR 	C25H46N12O11S	722.313	NA	PeJP	NA	NA
+PJ022067	PPCLMY 	C33H50N6O8S2	722.3132	NA	PeJP	NA	NA
+PJ022068	GPEHHF 	C33H42N10O9	722.3137	NA	PeJP	NA	NA
+MJ092006	Cauferin; 6'-O-?-D-Gentiobioside 	C36H50O15	722.31497	NA	MeJP	NA	NA
+MJ092007	Physagulin E; 16?,17?-Epoxide 	C36H50O15	722.31497	NA	MeJP	NA	NA
+PJ022069	TTLEEM 	C29H50N6O13S	722.3157	NA	PeJP	NA	NA
+PJ022070	PTLMMM 	C30H54N6O8S3	722.3166	NA	PeJP	NA	NA
+PJ022071	GSSMRW 	C30H46N10O9S	722.317	NA	PeJP	NA	NA
+PJ022072	GQFWW 	C38H42N8O7	722.3177	NA	PeJP	NA	NA
+PJ022073	GSSSTER 	C26H46N10O14	722.3195	NA	PeJP	NA	NA
+PJ022074	GTQMMR 	C27H50N10O9S2	722.3204	NA	PeJP	NA	NA
+PJ022075	TCKWW 	C35H46N8O7S	722.321	NA	PeJP	NA	NA
+PJ022076	AAMHFF 	C35H46N8O7S	722.3211	NA	PeJP	NA	NA
+PJ022077	SSSKEW 	C31H46N8O12	722.3235	NA	PeJP	NA	NA
+PJ022078	GGGLQEY 	C31H46N8O12	722.3236	NA	PeJP	NA	NA
+PJ022079	QKMMW 	C32H50N8O7S2	722.3244	NA	PeJP	NA	NA
+PJ022080	STQKEM 	C28H50N8O12S	722.3269	NA	PeJP	NA	NA
+PJ022081	SKYYY 	C36H46N6O10	722.3275	NA	PeJP	NA	NA
+PJ022082	LEEFW 	C36H46N6O10	722.3276	NA	PeJP	NA	NA
+PJ022083	PPCNHR 	C29H46N12O8S	722.3283	NA	PeJP	NA	NA
+PJ022084	PHHFW 	C37H42N10O6	722.3289	NA	PeJP	NA	NA
+MJ092008	Zaragozic acid E 	C40H50O12	722.330227	NA	MeJP	NA	NA
+PJ022085	APLEMY 	C33H50N6O10S	722.3309	NA	PeJP	NA	NA
+PJ022086	GTCMRR 	C26H50N12O8S2	722.3316	NA	PeJP	NA	NA
+PJ022087	LMHHW 	C34H46N10O6S	722.3323	NA	PeJP	NA	NA
+PJ022088	SLLEMM 	C30H54N6O10S2	722.3343	NA	PeJP	NA	NA
+PJ022089	SSSTRW 	C30H46N10O11	722.3348	NA	PeJP	NA	NA
+PJ022090	CKMRW 	C31H50N10O6S2	722.3356	NA	PeJP	NA	NA
+PJ022091	GVHHHH 	C31H42N14O7	722.3361	NA	PeJP	NA	NA
+PJ022092	SSDKMR 	C27H50N10O11S	722.3381	NA	PeJP	NA	NA
+PJ022093	GSVTTCR 	C27H50N10O11S	722.3382	NA	PeJP	NA	NA
+PJ022094	VQQYW 	C35H46N8O9	722.3388	NA	PeJP	NA	NA
+PJ022095	GTTKMW 	C32H50N8O9S	722.3422	NA	PeJP	NA	NA
+7727	NA	PGANSGGMWFGPRL~	722.34415	MH2+	Inhouse_peptide	NA	peptide
+PJ022096	GSTTTKE 	C28H50N8O14	722.3447	NA	PeJP	NA	NA
+PJ022097	SVQKMM 	C29H54N8O9S2	722.3455	NA	PeJP	NA	NA
+PJ022098	GKKEMM 	C29H54N8O9S2	722.3456	NA	PeJP	NA	NA
+PJ022099	NDRRY 	C29H46N12O10	722.346	NA	PeJP	NA	NA
+PJ022100	PPCLFF 	C37H50N6O7S	722.3462	NA	PeJP	NA	NA
+PJ022101	HHHHR 	C30H42N16O6	722.3474	NA	PeJP	NA	NA
+PJ022102	GLLEEY 	C33H50N6O12	722.3487	NA	PeJP	NA	NA
+PJ022103	SSSMRR 	C26H50N12O10S	722.3494	NA	PeJP	NA	NA
+PJ022104	PVVMMF 	C34H54N6O7S2	722.3496	NA	PeJP	NA	NA
+PJ022105	AQRYW 	C34H46N10O8	722.35	NA	PeJP	NA	NA
+MJ092009	Anchinopeptolide A 	C34H46N10O8	722.350008	NA	MeJP	NA	NA
+PJ022106	GGGPLHW 	C34H46N10O8	722.3501	NA	PeJP	NA	NA
+MJ092010	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C37H54O14	722.351356	NA	MeJP	NA	NA
+MJ092011	Borovoluboside 	C37H54O14	722.351356	NA	MeJP	NA	NA
+MJ092012	Bovovoluboside 	C37H54O14	722.351356	NA	MeJP	NA	NA
+MJ092013	Glucobovoside A 	C37H54O14	722.351356	NA	MeJP	NA	NA
+PJ022107	VVLMMM 	C31H58N6O7S3	722.3529	NA	PeJP	NA	NA
+PJ022108	GPCKRY 	C31H50N10O8S	722.3534	NA	PeJP	NA	NA
+PJ022109	GKFWW 	C39H46N8O6	722.3541	NA	PeJP	NA	NA
+MJ092014	Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-(4-O-Sulfo-?-D-glucopyranoside) 	C34H58O14S	722.354727	NA	MeJP	NA	NA
+MJ092015	Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-(6-O-Sulfo-?-D-glucopyranoside) 	C34H58O14S	722.354727	NA	MeJP	NA	NA
+PJ022110	SSSSSLR 	C27H50N10O13	722.3559	NA	PeJP	NA	NA
+PJ022111	GTKMMR 	C28H54N10O8S2	722.3568	NA	PeJP	NA	NA
+7008	synthetic peptide from alpha-gliadin	FPSQQPYLQLQP	722.3595	MH2+	Inhouse_peptide	NA	peptide
+PJ022112	STTTKW 	C32H50N8O11	722.3599	NA	PeJP	NA	NA
+PJ022113	GGGPPPLE 	C32H50N8O11	722.36	NA	PeJP	NA	NA
+PJ022114	KKMMW 	C33H54N8O6S2	722.3608	NA	PeJP	NA	NA
+PJ022115	PQHRW 	C33H46N12O7	722.3613	NA	PeJP	NA	NA
+PJ022116	STKKEM 	C29H54N8O11S	722.3633	NA	PeJP	NA	NA
+PJ022117	LLEYW 	C37H50N6O9	722.3639	NA	PeJP	NA	NA
+PJ022118	PPVTFY 	C37H50N6O9	722.364	NA	PeJP	NA	NA
+PJ022119	NMFRR 	C30H50N12O7S	722.3646	NA	PeJP	NA	NA
+PJ022120	GGMFRR 	C30H50N12O7S	722.3647	NA	PeJP	NA	NA
+PJ022121	SPLLMY 	C34H54N6O9S	722.3673	NA	PeJP	NA	NA
+MJ092016	Phenylmethyl [1-[[[4-[(2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino]-2-hydroxy-3-[[(4-methoxyphenyl)methyl]amino]-4-oxo-1-(phenylmethyl)butyl]amino]carbonyl]-2,2-dimethylpropyl]carbamate 	C42H50N4O7	722.367949	NA	MeJP	NA	NA
+MJ092017	lanine 	C42H50N4O7	722.367949	NA	MeJP	NA	NA
+PJ022122	QKERY 	C31H50N10O10	722.3712	NA	PeJP	NA	NA
+PJ022123	STTKMR 	C28H54N10O10S	722.3745	NA	PeJP	NA	NA
+PJ022124	VQKYW 	C36H50N8O8	722.3752	NA	PeJP	NA	NA
+PJ022125	GPKKMY 	C33H54N8O8S	722.3786	NA	PeJP	NA	NA
+PJ022126	ATTTTTK 	C29H54N8O13	722.381	NA	PeJP	NA	NA
+PJ022127	SSSTTLK 	C29H54N8O13	722.3811	NA	PeJP	NA	NA
+PJ022128	SVKKMM 	C30H58N8O8S2	722.3819	NA	PeJP	NA	NA
+PJ022129	TQRRY 	C30H50N12O9	722.3824	NA	PeJP	NA	NA
+PJ022130	SVLLEY 	C34H54N6O11	722.3851	NA	PeJP	NA	NA
+PJ022131	AKRYW 	C35H50N10O7	722.3864	NA	PeJP	NA	NA
+MJ092018	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 23,24-Dihydro, 25-Ac, 2-O-?-D-glucopyranoside 	C38H58O13	722.387741	NA	MeJP	NA	NA
+MJ092019	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 25-Ac, 2-O-?-D-glucopyranoside 	C38H58O13	722.387741	NA	MeJP	NA	NA
+MJ092020	2,3,19-Trihydroxy-12-ursene-23,28-dioic acid, 2-Ac, 28-?-D-glucopyranosyl ester 	C38H58O13	722.387741	NA	MeJP	NA	NA
+MJ092021	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2,3-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl), 8,9-di-Ac 	C38H58O13	722.387741	NA	MeJP	NA	NA
+MJ092022	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 2,5-Bis(2-methylbutanoyl), 7-(2-methylpropanoyl), 8,9-di-Ac 	C38H58O13	722.387741	NA	MeJP	NA	NA
+MJ092023	3,16,20,25-Tetrahydroxycucurbita-5,23-diene-2,11,22-trione, 23,24-Dihydro, 25-Ac, 3-O-?-D-glucopyranoside 	C38H58O13	722.387741	NA	MeJP	NA	NA
+MJ092024	Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C38H58O13	722.387741	NA	MeJP	NA	NA
+PJ022132	AAKMFR 	C32H54N10O7S	722.3898	NA	PeJP	NA	NA
+MJ092025	Stigmastane-3,6,8,15,16,29-hexol, 29-O-[5-O-Methyl-2-sulfo-?-L-arabinofuranoside] 	C35H62O13S	722.391112	NA	MeJP	NA	NA
+MJ092026	Stigmastane-3,6,8,15,16,29-hexol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 15-sulfate 	C35H62O13S	722.391112	NA	MeJP	NA	NA
+PJ022133	GPTHRR 	C29H50N14O8	722.3936	NA	PeJP	NA	NA
+PJ022134	GVKKEY 	C33H54N8O10	722.3963	NA	PeJP	NA	NA
+PJ022135	PKHRW 	C34H50N12O6	722.3977	NA	PeJP	NA	NA
+C15714	Myxochromide S1	C38H54N6O8	722.4003	NA	KEGG	NA	NA
+PJ022136	APLLFY 	C38H54N6O8	722.4003	NA	PeJP	NA	NA
+PJ022137	ALLLMY 	C35H58N6O8S	722.4037	NA	PeJP	NA	NA
+MJ092027	Tabernaelegantine A; 19'R-Hydroxy 	C43H54N4O6	722.404335	NA	MeJP	NA	NA
+MJ092028	Tabernaelegantine B; 3'-Hydroxy 	C43H54N4O6	722.404335	NA	MeJP	NA	NA
+PJ022138	KKERY 	C32H54N10O9	722.4075	NA	PeJP	NA	NA
+PJ022139	GSLKRY 	C32H54N10O9	722.4076	NA	PeJP	NA	NA
+PJ022140	VKKYW 	C37H54N8O7	722.4116	NA	PeJP	NA	NA
+PJ022141	GLKKMF 	C34H58N8O7S	722.415	NA	PeJP	NA	NA
+PJ022142	TKRRY 	C31H54N12O8	722.4188	NA	PeJP	NA	NA
+PJ022143	TTLLLY 	C35H58N6O10	722.4215	NA	PeJP	NA	NA
+C08919	Yamogenin 3-O-neohesperidoside	C39H62O12	722.4241	NA	KEGG	NA	NA
+C17038	Ophiopogonin B	C39H62O12	722.4241	NA	KEGG	NA	NA
+MJ092029	12-Hydroxyspirostan-3-one, Dirhamnoside 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092030	20,24-Epoxycycloartane-3,15,16,18,25-pentol, 16,18-Di-Ac, 3-O-?-D-xylopyranoside 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092031	6-Hydroxyspirostan-3-one, 6-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092032	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092033	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092034	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092035	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092036	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092037	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092038	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092039	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092040	Spirost-5-ene-1,3-diol, 1-O-?-D-Fucopyranoside, 3-O-?-L-rhamnopyranoside 	C39H62O12	722.424127	NA	MeJP	NA	NA
+MJ092041	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-fucopyranoside] 	C39H62O12	722.424127	NA	MeJP	NA	NA
+3919	aurein 1,1	GLFDIIKKIAESI~	722.4254	MH2+	Inhouse_peptide	NA	peptide
+PJ022144	AALHRR 	C30H54N14O7	722.43	NA	PeJP	NA	NA
+PJ022145	ATLKKY 	C34H58N8O9	722.4327	NA	PeJP	NA	NA
+PJ022146	ALLLFF 	C39H58N6O7	722.4367	NA	PeJP	NA	NA
+PJ022147	VHRRR 	C29H54N16O6	722.4413	NA	PeJP	NA	NA
+PJ022148	PPLLQR 	C33H58N10O8	722.4439	NA	PeJP	NA	NA
+C03427	Prephytoene diphosphate	C40H68O7P2	722.444	NA	KEGG	NA	NA
+C04146	all-trans-Octaprenyl diphosphate	C40H68O7P2	722.444	NA	KEGG	NA	NA
+C17437	di-trans,poly-cis-Octaprenyl diphosphate	C40H68O7P2	722.444	NA	KEGG	NA	NA
+PJ022149	GPPVVVR 	C33H58N10O8	722.444	NA	PeJP	NA	NA
+MJ092042	Prephytoene diphosphate 	C40H68O7P2	722.444027	NA	MeJP	NA	NA
+MJ092043	all-trans-Octaprenyl diphosphate 	C40H68O7P2	722.444027	NA	MeJP	NA	NA
+MetaCyc04077	octaprenyl diphosphate [farnesylfarnesylgeranyl-PP;octaprenyl pyrophosphate;OPP;farnesylfarnesylgeraniol;all-trans-octaprenyl diphosphate;]	C40H68O7P2	722.444028	NA	metacyc	NA	NA
+MetaCyc04078	prephytoene diphosphate []	C40H68O7P2	722.444028	NA	metacyc	NA	NA
+HMDB03023	prephytoene diphosphate	C40H68O7P2	722.44403	http://www.hmdb.ca/metabolites/HMDB03023	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01094	Octaprenyl diphosphate	C40H68O7P2	722.44403	http://www.hmdb.ca/metabolites/HMDB01094	HMDB	NA	NA
+HMDB03023	prephytoene diphosphate	C40H68O7P2	722.44403	http://www.hmdb.ca/metabolites/HMDB03023	HMDB	NA	NA
+HMDB03023	prephytoene diphosphate	C40H68O7P2	722.44403	http://www.hmdb.ca/metabolites/HMDB03023	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01094	Octaprenyl diphosphate	C40H68O7P2	722.44403	HMDB01094	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03023	prephytoene diphosphate	C40H68O7P2	722.44403	HMDB03023	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01094	Octaprenyl diphosphate	C40H68O7P2	722.444031	NA	HMDB2010	NA	NA
+HMDB03023	Prephytoene diphosphate	C40H68O7P2	722.444031	NA	HMDB2010	NA	NA
+MetaCyc04079	13-[O(2')-&beta;-D-glucopyranosyl-&beta;-D-glucopyranosyloxy]docosanoate O(6)-acetate''$$$''$$$'' []	C36H66O14	722.445257	NA	metacyc	NA	NA
+PJ022150	PPVVRR 	C32H58N12O7	722.4552	NA	PeJP	NA	NA
+MJ092044	20,24-Epoxydammarane-3,11,25-triol, 3-O-(2-O-Acetyl-?-D-glucopyranoside), 11-Ac 	C40H66O11	722.460512	NA	MeJP	NA	NA
+MJ092045	Antibiotic X 14931A 	C40H66O11	722.460512	NA	MeJP	NA	NA
+PJ022151	GPPVLLK 	C35H62N8O8	722.4691	NA	PeJP	NA	NA
+MJ092046	1,26-Hexacosanediol dicaffeate 	C44H66O8	722.475769	NA	MeJP	NA	NA
+PJ022152	PPLLKR 	C34H62N10O7	722.4803	NA	PeJP	NA	NA
+MJ092047	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-?-D-Altruronopyranoside 	C41H70O10	722.496898	NA	MeJP	NA	NA
+MJ092048	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-?-D-Galacturonopyranoside 	C41H70O10	722.496898	NA	MeJP	NA	NA
+MJ092049	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-O-?-D-Glucuronopyranoside 	C41H70O10	722.496898	NA	MeJP	NA	NA
+MJ092050	Stigmast-5-en-3-ol, O-[?-D-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H70O10	722.496898	NA	MeJP	NA	NA
+HMDB10570	PG(16:0/16:0)	C38H75O10P	722.509766	NA	HMDB2010	NA	NA
+MJ092051	Corymbivillosol; 3-Ac 	C45H70O7	722.512154	NA	MeJP	NA	NA
+MJ092052	Bacterioruberin; 3''-Deoxy, 2'',3''-didehydro 	C50H74O3	722.563796	NA	MeJP	NA	NA
+HMDB07643	DG(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H78O5	722.5849	NA	HMDB2010	NA	NA
+HMDB07670	DG(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H78O5	722.5849	NA	HMDB2010	NA	NA
+HMDB07671	DG(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H78O5	722.5849	NA	HMDB2010	NA	NA
+HMDB07726	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)	C47H78O5	722.5849	NA	HMDB2010	NA	NA
+HMDB07755	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)	C47H78O5	722.5849	NA	HMDB2010	NA	NA
+HMDB07783	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0)	C47H78O5	722.5849	NA	HMDB2010	NA	NA
+MJ092053	Glycerol tritetradecanoate 	C45H86O6	722.64244	NA	MeJP	NA	NA
+MJ092054	Ergost-5-en-3-ol, Docosanoyl 	C50H90O2	722.694082	NA	MeJP	NA	NA
+MJ092055	2-O-(3,7,11,15,19-Pentamethyleicosyl)-1-O-(3,7,11,15-tetramethylhexadecyl)glycerol 	C48H98O3	722.751597	NA	MeJP	NA	NA
+7030	synthetic peptide from alpha-gliadin	FQQPLQQYPLGQ	722.857	MH2+	Inhouse_peptide	NA	peptide
+3192	crabolin-like from skin of frog Rana esculenta	FLPAIAGILSQLFG	722.907	MH2+	Inhouse_peptide	NA	peptide
+PJ022153	SCCCCCC 	C21H37N7O9S6	723.0977	NA	PeJP	NA	NA
+FL7AAAGL0032	Pelargonidin 3-(6''-malonylglucoside)-5-(6'''-acetylglucoside)	C32H35O19	723.17725	161993-00-6	knapsack	NA	NA
+PJ022154	GSCCCDH 	C24H37N9O11S3	723.1775	NA	PeJP	NA	NA
+PJ022155	GPCCDDD 	C25H37N7O14S2	723.184	NA	PeJP	NA	NA
+PJ022156	CCCQMH 	C25H41N9O8S4	723.1961	NA	PeJP	NA	NA
+PJ022157	NDDDDM 	C25H37N7O16S	723.2018	NA	PeJP	NA	NA
+PJ022158	SPPCCCD 	C26H41N7O11S3	723.2026	NA	PeJP	NA	NA
+PJ022159	CCCCHR 	C24H41N11O7S4	723.2074	NA	PeJP	NA	NA
+PJ022160	GSCNNDD 	C24H37N9O15S	723.213	NA	PeJP	NA	NA
+MJ092056	Valrubicin 	C34H36F3NO13	723.213874	NA	MeJP	NA	NA
+PJ022161	GSSCCMH 	C25H41N9O10S3	723.2139	NA	PeJP	NA	NA
+PJ022162	GCDDEW 	C29H37N7O13S	723.217	NA	PeJP	NA	NA
+PJ022163	GSSDDDE 	C25H37N7O18	723.2195	NA	PeJP	NA	NA
+PJ022164	GSPCDDM 	C26H41N7O13S2	723.2204	NA	PeJP	NA	NA
+PJ022165	APPCCCM 	C27H45N7O8S4	723.2213	NA	PeJP	NA	NA
+PJ022166	SSSTCCH 	C25H41N9O12S2	723.2316	NA	PeJP	NA	NA
+PJ022167	GGGGCNEM 	C25H41N9O12S2	723.2317	NA	PeJP	NA	NA
+PJ022168	CDDWW 	C33H37N7O10S	723.2323	NA	PeJP	NA	NA
+PJ022169	CCCKMH 	C26H45N9O7S4	723.2325	NA	PeJP	NA	NA
+PJ022170	SSDDDW 	C29H37N7O15	723.2348	NA	PeJP	NA	NA
+PJ022171	SPCCEW 	C30H41N7O10S2	723.2357	NA	PeJP	NA	NA
+MJ092057	Rutin; 4'-(2-Morpholinylethyl) ether 	C33H41NO17	723.237448	NA	MeJP	NA	NA
+PJ022172	SNDEEM 	C26H41N7O15S	723.2382	NA	PeJP	NA	NA
+PJ022173	PCNEMM 	C27H45N7O10S3	723.239	NA	PeJP	NA	NA
+PJ022174	CCNNDR 	C24H41N11O11S2	723.2429	NA	PeJP	NA	NA
+PJ022175	GCNNMW 	C29H41N9O9S2	723.2469	NA	PeJP	NA	NA
+PJ022176	SCDDER 	C25H41N9O14S	723.2494	NA	PeJP	NA	NA
+PJ022177	PCCDMR 	C26H45N9O9S3	723.2503	NA	PeJP	NA	NA
+PJ022178	GSDEMW 	C30H41N7O12S	723.2534	NA	PeJP	NA	NA
+PJ022179	GPCMMW 	C31H45N7O7S3	723.2543	NA	PeJP	NA	NA
+PJ022180	GSSSEEE 	C26H41N7O17	723.2559	NA	PeJP	NA	NA
+PJ022181	GQEEMM 	C27H45N7O12S2	723.2568	NA	PeJP	NA	NA
+PJ022182	SNDDHH 	C27H37N11O13	723.2573	NA	PeJP	NA	NA
+PJ022183	CEFYY 	C35H41N5O10S	723.2574	NA	PeJP	NA	NA
+PJ022184	PCCQHH 	C28H41N11O8S2	723.2581	NA	PeJP	NA	NA
+PJ022185	SSCNQW 	C29H41N9O11S	723.2646	NA	PeJP	NA	NA
+PJ022186	GGSSCQW 	C29H41N9O11S	723.2647	NA	PeJP	NA	NA
+PJ022187	SSSSNNE 	C25H41N9O16	723.2671	NA	PeJP	NA	NA
+PJ022188	GGSSSSNE 	C25H41N9O16	723.2672	NA	PeJP	NA	NA
+PJ022189	GDDMMR 	C26H45N9O11S2	723.268	NA	PeJP	NA	NA
+PJ022190	SDMWW 	C34H41N7O9S	723.2687	NA	PeJP	NA	NA
+PJ022191	SSSEEW 	C30H41N7O14	723.2712	NA	PeJP	NA	NA
+PJ022192	QEMMW 	C31H45N7O9S2	723.272	NA	PeJP	NA	NA
+PJ022193	GAEMMW 	C31H45N7O9S2	723.2721	NA	PeJP	NA	NA
+PJ022194	STQEEM 	C27H45N7O14S	723.2745	NA	PeJP	NA	NA
+PJ022195	GGTTEEM 	C27H45N7O14S	723.2746	NA	PeJP	NA	NA
+PJ022196	SEYYY 	C35H41N5O12	723.2752	NA	PeJP	NA	NA
+PJ022197	SPQMMM 	C28H49N7O9S3	723.2754	NA	PeJP	NA	NA
+PJ022198	GNEMHH 	C28H41N11O10S	723.2759	NA	PeJP	NA	NA
+PJ022199	SCNNMR 	C25H45N11O10S2	723.2792	NA	PeJP	NA	NA
+PJ022200	GGSCNMR 	C25H45N11O10S2	723.2793	NA	PeJP	NA	NA
+PJ022201	GCNHFF 	C33H41N9O8S	723.2799	NA	PeJP	NA	NA
+PJ022202	GSSSSNW 	C29H41N9O13	723.2824	NA	PeJP	NA	NA
+PJ022203	CEMRW 	C30H45N9O8S2	723.2833	NA	PeJP	NA	NA
+PJ022204	SSDEMR 	C26H45N9O13S	723.2858	NA	PeJP	NA	NA
+PJ022205	GSPDYW 	C34H41N7O11	723.2864	NA	PeJP	NA	NA
+PJ022206	SPCMMR 	C27H49N9O8S3	723.2866	NA	PeJP	NA	NA
+PJ022207	GCDHHR 	C27H41N13O9S	723.2871	NA	PeJP	NA	NA
+PJ022208	AMMWW 	C35H45N7O6S2	723.2873	NA	PeJP	NA	NA
+PJ022209	GTTEMW 	C31H45N7O11S	723.2898	NA	PeJP	NA	NA
+PJ022210	NMHHW 	C32H41N11O7S	723.2911	NA	PeJP	NA	NA
+PJ022211	GGMHHW 	C32H41N11O7S	723.2912	NA	PeJP	NA	NA
+PJ022212	GSTTTEE 	C27H45N7O16	723.2923	NA	PeJP	NA	NA
+PJ022213	GKEEMM 	C28H49N7O11S2	723.2932	NA	PeJP	NA	NA
+PJ022214	SSQEHH 	C28H41N11O12	723.2936	NA	PeJP	NA	NA
+PJ022215	GGSTEHH 	C28H41N11O12	723.2937	NA	PeJP	NA	NA
+PJ022216	CLYYY 	C36H45N5O9S	723.2938	NA	PeJP	NA	NA
+PJ022217	PCCKHH 	C29H45N11O7S2	723.2945	NA	PeJP	NA	NA
+PJ022218	GSSSCQR 	C25H45N11O12S	723.297	NA	PeJP	NA	NA
+PJ022219	NNQYW 	C33H41N9O10	723.2977	NA	PeJP	NA	NA
+PJ022220	SSCNKW 	C30H45N9O10S	723.301	NA	PeJP	NA	NA
+PJ022221	GGGGAQMF 	C30H45N9O10S	723.3011	NA	PeJP	NA	NA
+PJ022222	GEFWW 	C38H41N7O8	723.3017	NA	PeJP	NA	NA
+PJ022223	SSSSNDK 	C26H45N9O15	723.3035	NA	PeJP	NA	NA
+MetaCyc04080	trypanothione [N1,N8-bis-(&gamma;-L-glutamyl-L-cysteinyl-glycyl)-spermidine;N1,N8-bis(glutathionyl)spermidine;]	C27H49N9O10S2	723.30438	NA	metacyc	NA	NA
+C02090	Trypanothione	C27H49N9O10S2	723.3044	NA	KEGG	NA	NA
+PJ022224	GTEMMR 	C27H49N9O10S2	723.3044	NA	PeJP	NA	NA
+PJ022225	TTMWW 	C35H45N7O8S	723.305	NA	PeJP	NA	NA
+PJ022226	GAPMYW 	C35H45N7O8S	723.3051	NA	PeJP	NA	NA
+PJ022227	STTTEW 	C31H45N7O13	723.3075	NA	PeJP	NA	NA
+PJ022228	TTTTDW 	C31H45N7O13	723.3076	NA	PeJP	NA	NA
+PJ022229	KEMMW 	C32H49N7O8S2	723.3084	NA	PeJP	NA	NA
+PJ022230	GSTHHW 	C32H41N11O9	723.3089	NA	PeJP	NA	NA
+PJ022231	STKEEM 	C28H49N7O13S	723.3109	NA	PeJP	NA	NA
+PJ022232	SPKMMM 	C29H53N7O8S3	723.3118	NA	PeJP	NA	NA
+PJ022233	GCNQFR 	C29H45N11O9S	723.3123	NA	PeJP	NA	NA
+PJ022234	SSSSSNR 	C25H45N11O14	723.3148	NA	PeJP	NA	NA
+PJ022235	SCCQKR 	C26H49N11O9S2	723.3156	NA	PeJP	NA	NA
+PJ022236	GGTCCKR 	C26H49N11O9S2	723.3157	NA	PeJP	NA	NA
+PJ022237	PCRYW 	C34H45N9O7S	723.3163	NA	PeJP	NA	NA
+PJ022238	FWWW 	C42H41N7O5	723.3169	NA	PeJP	NA	NA
+PJ022239	QEERY 	C30H45N9O12	723.3188	NA	PeJP	NA	NA
+PJ022240	TMMRW 	C31H49N9O7S2	723.3197	NA	PeJP	NA	NA
+PJ022241	STTEMR 	C27H49N9O12S	723.3222	NA	PeJP	NA	NA
+PJ022242	VQEYW 	C35H45N7O10	723.3228	NA	PeJP	NA	NA
+PJ022243	GVMMMR 	C28H53N9O7S3	723.323	NA	PeJP	NA	NA
+PJ022244	GSMHHR 	C28H45N13O8S	723.3235	NA	PeJP	NA	NA
+MJ092058	Lissoclinamide 10 	C36H49N7O5S2	723.323659	NA	MeJP	NA	NA
+PJ022245	HHHFF 	C36H41N11O6	723.3242	NA	PeJP	NA	NA
+PJ022246	SSTLMW 	C32H49N7O10S	723.3262	NA	PeJP	NA	NA
+PJ022247	TFFFY 	C40H45N5O8	723.3268	NA	PeJP	NA	NA
+PJ022248	SSSTTLE 	C28H49N7O15	723.3287	NA	PeJP	NA	NA
+PJ022249	SVKEMM 	C29H53N7O10S2	723.3296	NA	PeJP	NA	NA
+PJ022250	DDRRY 	C29H45N11O11	723.33	NA	PeJP	NA	NA
+PJ022251	GGGGPDKH 	C29H45N11O11	723.3301	NA	PeJP	NA	NA
+PJ022252	GSSSCKR 	C26H49N11O11S	723.3334	NA	PeJP	NA	NA
+PJ022253	AERYW 	C34H45N9O9	723.334	NA	PeJP	NA	NA
+PJ022254	GGNKYW 	C34H45N9O9	723.3341	NA	PeJP	NA	NA
+PJ022255	MMMRR 	C27H53N11O6S3	723.3343	NA	PeJP	NA	NA
+MJ092059	Pentabromo-2-propanone; Enol tribromoacetate 	C5Br8O2	723.33653	NA	MeJP	NA	NA
+PJ022256	GPTMRY 	C31H49N9O9S	723.3374	NA	PeJP	NA	NA
+PJ022257	GLYWW 	C39H45N7O7	723.3381	NA	PeJP	NA	NA
+PJ022258	SSSSTQK 	C27H49N9O14	723.3399	NA	PeJP	NA	NA
+PJ022259	SSLMMR 	C28H53N9O9S2	723.3408	NA	PeJP	NA	NA
+PJ022260	SSTHHR 	C28H45N13O10	723.3413	NA	PeJP	NA	NA
+PJ022261	PKMYW 	C36H49N7O7S	723.3414	NA	PeJP	NA	NA
+MJ092060	Pyroglutamylphenylalanylphenylalanylglycyleucylmethioninamide; all-L-form 	C36H49N7O7S	723.341417	NA	MeJP	NA	NA
+PJ022262	GALMFW 	C36H49N7O7S	723.3415	NA	PeJP	NA	NA
+PJ022263	GVKEEY 	C32H49N7O12	723.3439	NA	PeJP	NA	NA
+PJ022264	GGVVTEY 	C32H49N7O12	723.344	NA	PeJP	NA	NA
+PJ022265	APKMMF 	C33H53N7O7S2	723.3448	NA	PeJP	NA	NA
+PJ022266	PEHRW 	C33H45N11O8	723.3453	NA	PeJP	NA	NA
+PJ022267	SSSSLLM 	C29H53N7O12S	723.3473	NA	PeJP	NA	NA
+PJ022268	ALKMMM 	C30H57N7O7S3	723.3482	NA	PeJP	NA	NA
+PJ022269	DMFRR 	C30H49N11O8S	723.3487	NA	PeJP	NA	NA
+PJ022270	PVHWW 	C38H45N9O6	723.3493	NA	PeJP	NA	NA
+PJ022271	SCCKKR 	C27H53N11O8S2	723.352	NA	PeJP	NA	NA
+PJ022272	CLFRW 	C35H49N9O6S	723.3527	NA	PeJP	NA	NA
+PJ022273	KEERY 	C31H49N9O11	723.3552	NA	PeJP	NA	NA
+PJ022274	QHHFR 	C32H45N13O7	723.3565	NA	PeJP	NA	NA
+PJ022275	GSSSKKM 	C28H53N9O11S	723.3585	NA	PeJP	NA	NA
+PJ022276	VKEYW 	C36H49N7O9	723.3592	NA	PeJP	NA	NA
+PJ022277	SPVKMY 	C33H53N7O9S	723.3626	NA	PeJP	NA	NA
+PJ022278	STTTTTL 	C29H53N7O14	723.3651	NA	PeJP	NA	NA
+PJ022279	TTLKMM 	C30H57N7O9S2	723.3659	NA	PeJP	NA	NA
+PJ022280	TERRY 	C30H49N11O10	723.3664	NA	PeJP	NA	NA
+MJ092061	Fumonisin C1; 3-Hydroxy 	C33H57NO16	723.367734	NA	MeJP	NA	NA
+PJ022281	SLRYW 	C35H49N9O8	723.3704	NA	PeJP	NA	NA
+PJ022282	AALMRY 	C32H53N9O8S	723.3738	NA	PeJP	NA	NA
+MJ092062	Tryptophyllin L 4.2 	C40H49N7O6	723.374432	NA	MeJP	NA	NA
+PJ022283	PKFFW 	C40H49N7O6	723.3745	NA	PeJP	NA	NA
+PJ022284	SSSSTKK 	C28H53N9O13	723.3763	NA	PeJP	NA	NA
+PJ022285	SCKKKM 	C29H57N9O8S2	723.3772	NA	PeJP	NA	NA
+PJ022286	AVNQHR 	C29H49N13O9	723.3776	NA	PeJP	NA	NA
+PJ022287	GVQQHR 	C29H49N13O9	723.3777	NA	PeJP	NA	NA
+PJ022288	LKMFW 	C37H53N7O6S	723.3778	NA	PeJP	NA	NA
+PJ022289	ATLKEY 	C33H53N7O11	723.3803	NA	PeJP	NA	NA
+PJ022290	APPHFR 	C34H49N11O7	723.3817	NA	PeJP	NA	NA
+PJ022291	VMRRY 	C31H53N11O7S	723.385	NA	PeJP	NA	NA
+PJ022292	APLMHR 	C31H53N11O7S	723.3851	NA	PeJP	NA	NA
+PJ022293	QQHRR 	C28H49N15O8	723.3889	NA	PeJP	NA	NA
+PJ022294	ATTLRY 	C32H53N9O10	723.3916	NA	PeJP	NA	NA
+PJ022295	KHHFR 	C33H49N13O6	723.3929	NA	PeJP	NA	NA
+PJ022296	GPLKFY 	C37H53N7O8	723.3956	NA	PeJP	NA	NA
+PJ022297	GLLKMY 	C34H57N7O8S	723.399	NA	PeJP	NA	NA
+PJ022298	GLLEHR 	C31H53N11O9	723.4028	NA	PeJP	NA	NA
+PJ022299	GVLLHW 	C36H53N9O7	723.4068	NA	PeJP	NA	NA
+PJ022300	ACKKKF 	C33H57N9O7S	723.4102	NA	PeJP	NA	NA
+PJ022301	APPQRR 	C30H53N13O8	723.414	NA	PeJP	NA	NA
+PJ022302	GAAPPRR 	C30H53N13O8	723.4141	NA	PeJP	NA	NA
+PJ022303	STLLKY 	C34H57N7O10	723.4167	NA	PeJP	NA	NA
+PJ022304	LLHRW 	C35H53N11O6	723.4181	NA	PeJP	NA	NA
+PJ022305	QKHRR 	C29H53N15O7	723.4253	NA	PeJP	NA	NA
+PJ022306	ASKKKY 	C33H57N9O9	723.4279	NA	PeJP	NA	NA
+PJ022307	GTKKKY 	C33H57N9O9	723.428	NA	PeJP	NA	NA
+PJ022308	PPVLLW 	C38H57N7O7	723.432	NA	PeJP	NA	NA
+PJ022309	SVLLHR 	C32H57N11O8	723.4392	NA	PeJP	NA	NA
+PJ022310	APPKRR 	C31H57N13O7	723.4504	NA	PeJP	NA	NA
+PJ022311	APPTLLL 	C35H61N7O9	723.4531	NA	PeJP	NA	NA
+MJ092063	Lanost-8-ene-2,3,12,21,24,25-hexol, 2-O-[3-Hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoyl] 	C39H65NO11	723.455761	NA	MeJP	NA	NA
+MJ092064	Lanost-8-ene-2,3,12,21,24,25-hexol, 3-O-[3-Hydroxy-5-[(2-methoxy-2-oxoethyl)amino]methyl-5-oxopentanoyl] 	C39H65NO11	723.455761	NA	MeJP	NA	NA
+MJ092065	Solacongestidine; Glycoside (1) 	C39H65NO11	723.455761	NA	MeJP	NA	NA
+HMDB12311	3-O-Sulfogalactosylceramide (d18:1/12:0)	C36H69NO11S	723.459106	NA	HMDB2010	NA	NA
+PJ022312	KKHRR 	C30H57N15O6	723.4617	NA	PeJP	NA	NA
+PJ022313	TLLLKH 	C34H61N9O8	723.4643	NA	PeJP	NA	NA
+PJ022314	GPPVVKK 	C34H61N9O8	723.4644	NA	PeJP	NA	NA
+PJ022315	PPVKKR 	C33H61N11O7	723.4756	NA	PeJP	NA	NA
+HMDB07910	PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C40H70NO8P	723.483887	NA	HMDB2010	NA	NA
+HMDB08230	PC(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))	C40H70NO8P	723.483887	NA	HMDB2010	NA	NA
+HMDB08906	PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))	C40H70NO8P	723.483887	NA	HMDB2010	NA	NA
+HMDB09450	PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	C40H70NO8P	723.483887	NA	HMDB2010	NA	NA
+PJ022316	GPVLLLL 	C36H65N7O8	723.4895	NA	PeJP	NA	NA
+PJ022317	PLLLLR 	C35H65N9O7	723.5007	NA	PeJP	NA	NA
+HMDB09149	PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB09150	PE(18:3(6Z,9Z,12Z)/P-18:1(9Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB09182	PE(18:3(9Z,12Z,15Z)/P-18:1(11Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB09183	PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB09214	PE(18:4(6Z,9Z,12Z,15Z)/P-18:0)	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB09411	PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB09444	PE(20:4(8Z,11Z,14Z,17Z)/P-16:0)	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11352	PE(P-16:0/20:4(5Z,8Z,11Z,14Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11353	PE(P-16:0/20:4(8Z,11Z,14Z,17Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11379	PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11410	PE(P-18:1(11Z)/18:3(6Z,9Z,12Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11411	PE(P-18:1(11Z)/18:3(9Z,12Z,15Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11443	PE(P-18:1(9Z)/18:3(6Z,9Z,12Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+HMDB11444	PE(P-18:1(9Z)/18:3(9Z,12Z,15Z))	C41H74NO7P	723.520264	NA	HMDB2010	NA	NA
+EUR1070	SM(d18:1/16:1) [M+Na]+	C39H78N2O6P	723.541697	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1070	SM(d18:1/16:1) [M+Na]+	C39H78N2O6P	723.541697	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1070	SM(d18:1/16:1) [M+Na]+	C39H78N2O6P	723.541697	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1070	SM(d18:1/16:1) [M+Na]+	C39H78N2O6P	723.541697	masses lipides attendues	Inhousejuil11	NA	NA
+MJ092066	N-[2-Ethyl-3,18-dihydroxy-1-(hydroxymethyl)-4-methylnonadecyl]tricosamide 	C46H93NO4	723.71046	NA	MeJP	NA	NA
+7461	coeliac toxic peptide	VQQQIPVVQPSIL	723.912	MH2+	Inhouse_peptide	NA	peptide
+C11026	Coumaphos anti-dimer	C28H32Cl2O10P2S2	724.0289	NA	KEGG	NA	NA
+C11027	Coumaphos syn-dimer	C28H32Cl2O10P2S2	724.0289	NA	KEGG	NA	NA
+HMDB12262	Molybdopterin-AMP	C20H26N10O12P2S2	724.064819	NA	HMDB2010	NA	NA
+PJ022318	CCCCMY 	C26H40N6O8S5	724.1511	NA	PeJP	NA	NA
+FL3FAAGS0045	Apigenin 7-(2'',6''-di-p-coumarylglucoside)	C39H32O14	724.1792	87562-08-1	knapsack	NA	NA
+FL3FAAGS0046	Apigenin 7-(3'',6''-di-p-coumarylglucoside)	C39H32O14	724.1792	83529-71-9	knapsack	NA	NA
+FL3FAAGS0047	Apigenin 7-(4'',6''-di-p-coumarylglucoside)	C39H32O14	724.1792	87562-09-2	knapsack	NA	NA
+FL3FAAGS0068	Apigenin 7-(3'',6''-Di-E-p-coumaroylgalactoside);7-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-galactopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C39H32O14	724.1792	480990-58-7	knapsack	NA	NA
+FL5FAAGS0054	Platanoside;Kaempferol 3-(2'',3''-di-(E)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C39H32O14	724.1792	133740-25-7	knapsack	NA	NA
+FL5FAAGS0055	Kaempferol 3-(2'',4''-di-(E)-p-coumarylrhamnoside)	C39H32O14	724.1792	163434-73-9	knapsack	NA	NA
+FL5FAAGS0056	Kaempferol 3-(3'',4''-di-p-coumarylrhamnoside)	C39H32O14	724.1792	166321-99-9	knapsack	NA	NA
+FL5FAAGS0108	Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside);3-[[6-Deoxy-2,4-bis-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C39H32O14	724.1792	205534-17-4	knapsack	NA	NA
+MJ092067	Afzelin; 2'',4''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O14	724.179205	NA	MeJP	NA	NA
+MJ092068	Afzelin; 3'',4''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O14	724.179205	NA	MeJP	NA	NA
+MJ092069	Afzelin; Bis-O-(4-hydroxycinnamoyl) 	C39H32O14	724.179205	NA	MeJP	NA	NA
+MJ092070	Cosmosiin; 2'',6''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O14	724.179205	NA	MeJP	NA	NA
+MJ092071	Cosmosiin; 3'',6''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O14	724.179205	NA	MeJP	NA	NA
+MJ092072	Cosmosiin; 4'',6''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O14	724.179205	NA	MeJP	NA	NA
+PJ022319	CCCEMH 	C25H40N8O9S4	724.1801	NA	PeJP	NA	NA
+PJ022320	CCCCFF 	C30H40N6O7S4	724.1842	NA	PeJP	NA	NA
+FL3FFCGS0021	8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside)	C32H36O19	724.18507	108706-09-8	knapsack	NA	NA
+FL5FADGA0022	Isorhamnetin 3-(4''',6'''-diacetylglucosyl) (1->3)-galactoside	C32H36O19	724.18507	139955-73-0	knapsack	NA	NA
+MJ092073	3',5,7,8-Tetrahydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-allopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C32H36O19	724.185078	NA	MeJP	NA	NA
+MJ092074	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4,6-Di-O-acetyl-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C32H36O19	724.185078	NA	MeJP	NA	NA
+MJ092075	4',5,7,8-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside], di-Ac 	C32H36O19	724.185078	NA	MeJP	NA	NA
+PJ022321	DDDDDM 	C25H36N6O17S	724.1858	NA	PeJP	NA	NA
+PJ022322	GSCNDDD 	C24H36N8O16S	724.197	NA	PeJP	NA	NA
+PJ022323	GPCCCNE 	C25H40N8O11S3	724.1979	NA	PeJP	NA	NA
+FL5FAAGS0066	Kaempferol 3-(2''-p-coumaryl-rhamnoside)-7-rhamnoside	C36H36O16	724.20033	145204-83-7	knapsack	NA	NA
+FL5FAAGS0122	Kaempferol 3-(3''-p-coumaroylrhamnoside)-7-rhamnoside	C36H36O16	724.20033	-	knapsack	NA	NA
+MJ092076	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-?-L-Rhamnopyranoside 	C36H36O16	724.200335	NA	MeJP	NA	NA
+MJ092077	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-O-?-L-Rhamnopyranoside 	C36H36O16	724.200335	NA	MeJP	NA	NA
+MJ092078	?-Rhamnoisorobin; 3-O-[4-Hydroxycinnamoyl-(?2)-?-L-rhamnopyranoside] 	C36H36O16	724.200335	NA	MeJP	NA	NA
+PJ022324	ACCCYY 	C30H40N6O9S3	724.2019	NA	PeJP	NA	NA
+MJ092079	Acarbose; 7-O-Phosphate 	C25H43NO21P	724.206518	NA	MeJP	NA	NA
+MJ092080	Pradimicin L; 17-Hydroxy, 3A-de-O-glucosyl 	C35H36N2O15	724.211568	NA	MeJP	NA	NA
+PJ022325	PCCCNW 	C29H40N8O8S3	724.2132	NA	PeJP	NA	NA
+PJ022326	CCDQQE 	C25H40N8O13S2	724.2156	NA	PeJP	NA	NA
+PJ022327	CNNDEM 	C25H40N8O13S2	724.2157	NA	PeJP	NA	NA
+PJ022328	TCCMMH 	C26H44N8O8S4	724.2165	NA	PeJP	NA	NA
+PJ022329	SSCCYY 	C30H40N6O11S2	724.2197	NA	PeJP	NA	NA
+FL3FAAGS0033	Apigenin 7-rhamnoside-4'-rutinoside	C33H40O18	724.22146	120282-90-8	knapsack	NA	NA
+FL5FAAGS0042	Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside	C33H40O18	724.22146	129369-23-9	knapsack	NA	NA
+MJ092081	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',4',5,6,7,8-Hexa-Me ether, 3-O-(4-O-3-hydroxy-3-methylglutaroyl-?-D-glucopyranoside) 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092082	3,3',4'-Trihydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092083	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnofuranoside, 7-O-[?-L-rhamnofuranosyl-(1?5)-?-L-rhamnofuranoside] 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092084	4',5,7-Trihydroxyflavone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside], 7-O-?-L-rhamnopyranoside 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092085	4',5,7-Trihydroxyflavone; 4'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092086	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092087	5,7-Dihydroxy-4'-methoxyflavone; 7-Glycoside 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092088	6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 2-O-(4-hydroxy-3-methoxycinnamoyl) 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092089	Afzelin; 7-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092090	Cosmosiin; 2'',4''-Di-O-?-L-rhamnopyranosyl 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092091	Sucrose; 1'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 3'-O-(4-hydroxy-3-methoxycinnamoyl) 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092092	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C33H40O18	724.221464	NA	MeJP	NA	NA
+MJ092093	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C33H40O18	724.221464	NA	MeJP	NA	NA
+C15582	Flavonol	C33H40O18	724.2215	NA	KEGG	NA	NA
+PJ022330	SDDEEM 	C26H40N6O16S	724.2222	NA	PeJP	NA	NA
+PJ022331	PCDEMM 	C27H44N6O11S3	724.2231	NA	PeJP	NA	NA
+PJ022332	CCNDDR 	C24H40N10O12S2	724.2269	NA	PeJP	NA	NA
+PJ022333	GCNDMW 	C29H40N8O10S2	724.2309	NA	PeJP	NA	NA
+PJ022334	GSSNDDM 	C25H40N8O15S	724.2334	NA	PeJP	NA	NA
+PJ022335	GSPCCQM 	C26H44N8O10S3	724.2343	NA	PeJP	NA	NA
+FL1CDAGS0003	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-O-(5'''-O-p-cinnamoyl)-apiofuranosyl-(1'''->2'')-glucoside	C37H40O15	724.23672	488760-67-4	knapsack	NA	NA
+FL2FDAGS0002	4'-Hydroxy-5,7-dimethoxyflavanone 4'-[2-(5-Cinnamoyl)-beta-D-apiofuranosyl]glucoside	C37H40O15	724.23672	488760-66-3	knapsack	NA	NA
+PJ022336	PCDDEF 	C30H40N6O13S	724.2374	NA	PeJP	NA	NA
+PJ022337	GEEEMM 	C27H44N6O13S2	724.2408	NA	PeJP	NA	NA
+PJ022338	SDDDHH 	C27H36N10O14	724.2413	NA	PeJP	NA	NA
+PJ022339	PCCEHH 	C28H40N10O9S2	724.2422	NA	PeJP	NA	NA
+PJ022340	SSSCNNN 	C24H40N10O14S	724.2446	NA	PeJP	NA	NA
+PJ022341	GGGGSSSCN 	C24H40N10O14S	724.2447	NA	PeJP	NA	NA
+PJ022342	GSPCCCR 	C25H44N10O9S3	724.2455	NA	PeJP	NA	NA
+PJ022343	CCQWW 	C33H40N8O7S2	724.2462	NA	PeJP	NA	NA
+MJ092094	Jaspamide; ?4,35-Isomer, 5?-hydroxy 	C36H45BrN4O7	724.247162	NA	MeJP	NA	NA
+PJ022344	SSCNEW 	C29H40N8O12S	724.2487	NA	PeJP	NA	NA
+PJ022345	GCMMHF 	C30H44N8O7S3	724.2495	NA	PeJP	NA	NA
+PJ022346	SSSSNDE 	C25H40N8O17	724.2512	NA	PeJP	NA	NA
+PJ022347	SNNEMM 	C26H44N8O12S2	724.252	NA	PeJP	NA	NA
+PJ022348	GGGGSEMM 	C26H44N8O12S2	724.2521	NA	PeJP	NA	NA
+PJ022349	CNYYY 	C34H40N6O10S	724.2527	NA	PeJP	NA	NA
+PJ022350	SPDDEY 	C30H40N6O15	724.2552	NA	PeJP	NA	NA
+PJ022351	EEMMW 	C31H44N6O10S2	724.2561	NA	PeJP	NA	NA
+MJ092095	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H44O17	724.257849	NA	MeJP	NA	NA
+MJ092096	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H44O17	724.257849	NA	MeJP	NA	NA
+PJ022352	STEEEM 	C27H44N6O15S	724.2586	NA	PeJP	NA	NA
+PJ022353	SPEMMM 	C28H48N6O10S3	724.2594	NA	PeJP	NA	NA
+PJ022354	CNNNNF 	C28H40N10O11S	724.2599	NA	PeJP	NA	NA
+PJ022355	SCNDMR 	C25H44N10O11S2	724.2633	NA	PeJP	NA	NA
+PJ022356	GSSCWW 	C33H40N8O9S	724.2639	NA	PeJP	NA	NA
+PJ022357	GSSSSDW 	C29H40N8O14	724.2664	NA	PeJP	NA	NA
+PJ022358	GSNMMW 	C30H44N8O9S2	724.2673	NA	PeJP	NA	NA
+PJ022359	GSSSQEM 	C26H44N8O14S	724.2698	NA	PeJP	NA	NA
+PJ022360	DEEFW 	C34H40N6O12	724.2705	NA	PeJP	NA	NA
+PJ022361	GQQMMM 	C27H48N8O9S3	724.2707	NA	PeJP	NA	NA
+PJ022362	SCNQHH 	C27H40N12O10S	724.2711	NA	PeJP	NA	NA
+PJ022363	GGGGTCHH 	C27H40N12O10S	724.2712	NA	PeJP	NA	NA
+MJ092097	11-Hydroxymeliacarpin; 1-Cinnamoyl, 3-Ac 	C38H44O14	724.273106	NA	MeJP	NA	NA
+MJ092098	Febrinin B 	C38H44O14	724.273106	NA	MeJP	NA	NA
+PJ022364	GPEEMY 	C31H44N6O12S	724.2738	NA	PeJP	NA	NA
+PJ022365	PPCMMF 	C32H48N6O7S3	724.2747	NA	PeJP	NA	NA
+PJ022366	DMHHW 	C32H40N10O8S	724.2752	NA	PeJP	NA	NA
+PJ022367	SVEEMM 	C28H48N6O12S2	724.2772	NA	PeJP	NA	NA
+PJ022368	SNNNNY 	C28H40N10O13	724.2776	NA	PeJP	NA	NA
+PJ022369	GGSNNNY 	C28H40N10O13	724.2777	NA	PeJP	NA	NA
+PJ022370	PCLMMM 	C29H52N6O7S4	724.2781	NA	PeJP	NA	NA
+PJ022371	GTCCRW 	C29H44N10O8S2	724.2785	NA	PeJP	NA	NA
+PJ022372	GSSSCER 	C25H44N10O13S	724.281	NA	PeJP	NA	NA
+PJ022373	NNEYW 	C33H40N8O11	724.2817	NA	PeJP	NA	NA
+PJ022374	GCQMMR 	C26H48N10O8S3	724.2819	NA	PeJP	NA	NA
+PJ022375	CCKWW 	C34H44N8O6S2	724.2825	NA	PeJP	NA	NA
+PJ022376	SSSQMW 	C30H44N8O11S	724.285	NA	PeJP	NA	NA
+PJ022377	GGSSTMW 	C30H44N8O11S	724.2851	NA	PeJP	NA	NA
+PJ022378	SSSSTQE 	C26H44N8O16	724.2875	NA	PeJP	NA	NA
+PJ022379	GGSSSTTE 	C26H44N8O16	724.2876	NA	PeJP	NA	NA
+PJ022380	SNDKMM 	C27H48N8O11S2	724.2884	NA	PeJP	NA	NA
+PJ022381	GSSSNHH 	C27H40N12O12	724.2889	NA	PeJP	NA	NA
+PJ022382	PEMYW 	C35H44N6O9S	724.2891	NA	PeJP	NA	NA
+PJ022383	GVEEEY 	C31H44N6O14	724.2916	NA	PeJP	NA	NA
+PJ022384	SPPMMY 	C32H48N6O9S2	724.2924	NA	PeJP	NA	NA
+PJ022385	PVCEMF 	C32H48N6O9S2	724.2925	NA	PeJP	NA	NA
+PJ022386	GPNDHW 	C32H40N10O10	724.2929	NA	PeJP	NA	NA
+PJ022387	GCCMRR 	C25H48N12O7S3	724.2931	NA	PeJP	NA	NA
+MJ092099	Syriobioside; 12-Ketone, 3'-O-?-D-glucopyranoside 	C35H48O16	724.294235	NA	MeJP	NA	NA
+PJ022388	ALEMMM 	C29H52N6O9S3	724.2958	NA	PeJP	NA	NA
+PJ022389	SSSCRW 	C29H44N10O10S	724.2963	NA	PeJP	NA	NA
+PJ022390	GNYWW 	C37H40N8O8	724.2969	NA	PeJP	NA	NA
+PJ022391	SSSSSDR 	C25H44N10O15	724.2988	NA	PeJP	NA	NA
+MJ092100	Isothalictrine 	C41H44N2O10	724.299595	NA	MeJP	NA	NA
+PJ022392	STCQMR 	C26H48N10O10S2	724.2996	NA	PeJP	NA	NA
+PJ022393	SSNMMR 	C26H48N10O10S2	724.2997	NA	PeJP	NA	NA
+PJ022394	NQMFW 	C34H44N8O8S	724.3003	NA	PeJP	NA	NA
+PJ022395	GSSSTTW 	C30H44N8O13	724.3028	NA	PeJP	NA	NA
+PJ022396	GTCKMW 	C31H48N8O8S2	724.3037	NA	PeJP	NA	NA
+PJ022397	GNNHHF 	C31H40N12O9	724.3042	NA	PeJP	NA	NA
+PJ022398	GSSSKEM 	C27H48N8O13S	724.3062	NA	PeJP	NA	NA
+PJ022399	VEEYW 	C35H44N6O11	724.3068	NA	PeJP	NA	NA
+PJ022400	ANKMMM 	C28H52N8O8S3	724.307	NA	PeJP	NA	NA
+PJ022401	GQKMMM 	C28H52N8O8S3	724.3071	NA	PeJP	NA	NA
+PJ022402	SCNKHH 	C28H44N12O9S	724.3075	NA	PeJP	NA	NA
+MJ092101	4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 5-Cinnamoyl, 2,7,9,10,13-penta-Ac 	C39H48O13	724.309491	NA	MeJP	NA	NA
+MJ092102	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, 3,6,7,9,20-penta-Ac 	C39H48O13	724.309491	NA	MeJP	NA	NA
+PJ022403	SPVEMY 	C32H48N6O11S	724.3102	NA	PeJP	NA	NA
+PJ022404	STCCRR 	C25H48N12O9S2	724.3109	NA	PeJP	NA	NA
+PJ022405	CNFRW 	C33H44N10O7S	724.3115	NA	PeJP	NA	NA
+PJ022406	GGCFRW 	C33H44N10O7S	724.3116	NA	PeJP	NA	NA
+PJ022407	TTLEMM 	C29H52N6O11S2	724.3136	NA	PeJP	NA	NA
+PJ022408	GSNERY 	C29H44N10O12	724.314	NA	PeJP	NA	NA
+PJ022409	GGGAPTEH 	C29H44N10O12	724.3141	NA	PeJP	NA	NA
+PJ022410	GLMMHH 	C30H48N10O7S2	724.3149	NA	PeJP	NA	NA
+PJ022411	GTHHHH 	C30H40N14O8	724.3154	NA	PeJP	NA	NA
+MJ092103	Cholest-9(11)-ene-3,6,20-triol, 6-O-(4-O-Sulfo-6-deoxy-?-D-glucopyranoside), 3-sulfate 	C33H56O13S2	724.316233	NA	MeJP	NA	NA
+PJ022412	GSSSTMR 	C26H48N10O12S	724.3174	NA	PeJP	NA	NA
+PJ022413	NDKYW 	C34H44N8O10	724.3181	NA	PeJP	NA	NA
+PJ022414	GCKMMR 	C27H52N10O7S3	724.3183	NA	PeJP	NA	NA
+PJ022415	SSSKMW 	C31H48N8O10S	724.3214	NA	PeJP	NA	NA
+PJ022416	GGGGALMY 	C31H48N8O10S	724.3215	NA	PeJP	NA	NA
+PJ022417	PPYYW 	C39H44N6O8	724.3221	NA	PeJP	NA	NA
+PJ022418	SSSSTKE 	C27H48N8O15	724.3239	NA	PeJP	NA	NA
+MJ092104	Pycnocomolide; 3'',4''-Methylenedioxy, 5''-methoxy 	C43H48O10	724.324747	NA	MeJP	NA	NA
+PJ022419	STQKMM 	C28H52N8O10S2	724.3248	NA	PeJP	NA	NA
+PJ022420	SPNDHR 	C28H44N12O11	724.3253	NA	PeJP	NA	NA
+PJ022421	LEMFW 	C36H48N6O8S	724.3255	NA	PeJP	NA	NA
+PJ022422	ATLEEY 	C32H48N6O13	724.328	NA	PeJP	NA	NA
+PJ022423	APLMMY 	C33H52N6O8S2	724.3288	NA	PeJP	NA	NA
+PJ022424	SNRYW 	C33H44N10O9	724.3293	NA	PeJP	NA	NA
+C08868	Hellebrin	C36H52O15	724.3306	NA	KEGG	NA	NA
+MJ092105	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnoside] 	C36H52O15	724.33062	NA	MeJP	NA	NA
+MJ092106	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnoside] 	C36H52O15	724.33062	NA	MeJP	NA	NA
+MJ092107	3,8,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C36H52O15	724.33062	NA	MeJP	NA	NA
+MJ092108	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-oleandroside] 	C36H52O15	724.33062	NA	MeJP	NA	NA
+MJ092109	7,8-Epoxy-3,12,14-trihydroxy-11-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-oleandroside] 	C36H52O15	724.33062	NA	MeJP	NA	NA
+MJ092110	Karatavicinol; 11'-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C36H52O15	724.33062	NA	MeJP	NA	NA
+PJ022425	SLLMMM 	C30H56N6O8S3	724.3322	NA	PeJP	NA	NA
+PJ022426	QQMRY 	C30H48N10O9S	724.3327	NA	PeJP	NA	NA
+PJ022427	QHFFF 	C38H44N8O7	724.3333	NA	PeJP	NA	NA
+PJ022428	SSSSTTR 	C26H48N10O14	724.3352	NA	PeJP	NA	NA
+MJ092111	Huangshanine; 6a,7-Didehydro 	C42H48N2O9	724.335981	NA	MeJP	NA	NA
+MJ092112	Thalibealine 	C42H48N2O9	724.335981	NA	MeJP	NA	NA
+PJ022429	STCKMR 	C27H52N10O9S2	724.336	NA	PeJP	NA	NA
+PJ022430	GNNQHR 	C27H44N14O10	724.3365	NA	PeJP	NA	NA
+PJ022431	NKMFW 	C35H48N8O7S	724.3367	NA	PeJP	NA	NA
+PJ022432	GTQKEY 	C31H48N8O12	724.3392	NA	PeJP	NA	NA
+PJ022433	PCCKKF 	C32H52N8O7S2	724.3401	NA	PeJP	NA	NA
+PJ022434	EHHFR 	C32H44N12O8	724.3405	NA	PeJP	NA	NA
+PJ022435	GSTTTKM 	C28H52N8O12S	724.3426	NA	PeJP	NA	NA
+PJ022436	SPPVYY 	C36H48N6O10	724.3432	NA	PeJP	NA	NA
+PJ022437	GKKMMM 	C29H56N8O7S3	724.3434	NA	PeJP	NA	NA
+PJ022438	CQRRY 	C29H48N12O8S	724.3439	NA	PeJP	NA	NA
+PJ022439	VHHFW 	C37H44N10O6	724.3446	NA	PeJP	NA	NA
+PJ022440	GLLEMY 	C33H52N6O10S	724.3466	NA	PeJP	NA	NA
+PJ022441	GSDKRY 	C30H48N10O11	724.3504	NA	PeJP	NA	NA
+PJ022442	GGGGVLEH 	C30H48N10O11	724.3505	NA	PeJP	NA	NA
+PJ022443	TQKYW 	C35H48N8O9	724.3544	NA	PeJP	NA	NA
+PJ022444	GATKYW 	C35H48N8O9	724.3545	NA	PeJP	NA	NA
+PJ022445	GPCHRR 	C28H48N14O7S	724.3552	NA	PeJP	NA	NA
+PJ022446	GVQKMY 	C32H52N8O9S	724.3578	NA	PeJP	NA	NA
+PJ022447	PLFYW 	C40H48N6O7	724.3585	NA	PeJP	NA	NA
+2638	synthetic fr, of human beta-CN (41-52) ACE inhibitor	YPSFQPQPLIYP	724.359	MH2+	Inhouse_peptide	NA	peptide
+PJ022448	SSTTTTK 	C28H52N8O14	724.3603	NA	PeJP	NA	NA
+PJ022449	STKKMM 	C29H56N8O9S2	724.3612	NA	PeJP	NA	NA
+PJ022450	GSSRRY 	C29H48N12O10	724.3617	NA	PeJP	NA	NA
+PJ022451	LLMYW 	C37H52N6O7S	724.3618	NA	PeJP	NA	NA
+PJ022452	APLMFF 	C37H52N6O7S	724.3619	NA	PeJP	NA	NA
+PJ022453	STLLEY 	C33H52N6O12	724.3643	NA	PeJP	NA	NA
+PJ022454	ALLMMF 	C34H56N6O7S2	724.3652	NA	PeJP	NA	NA
+PJ022455	GPTKHW 	C34H48N10O8	724.3657	NA	PeJP	NA	NA
+MJ092113	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C37H56O14	724.367006	NA	MeJP	NA	NA
+MJ092114	Swalpamycin 	C37H56O14	724.367006	NA	MeJP	NA	NA
+7021	synthetic peptide from alpha-gliadin	VLQQSTYQLLQE	724.368	MH2+	Inhouse_peptide	NA	peptide
+PJ022456	QKMRY 	C31H52N10O8S	724.369	NA	PeJP	NA	NA
+PJ022457	GAKMRY 	C31H52N10O8S	724.3691	NA	PeJP	NA	NA
+PJ022458	KHFFF 	C39H48N8O6	724.3697	NA	PeJP	NA	NA
+PJ022459	QEHRR 	C28H48N14O9	724.3729	NA	PeJP	NA	NA
+PJ022460	GTKKEY 	C32H52N8O11	724.3756	NA	PeJP	NA	NA
+PJ022461	VQHRW 	C33H48N12O7	724.3769	NA	PeJP	NA	NA
+PJ022462	GPLLYY 	C37H52N6O9	724.3796	NA	PeJP	NA	NA
+PJ022463	CKRRY 	C30H52N12O7S	724.3803	NA	PeJP	NA	NA
+PJ022464	SVLLMY 	C34H56N6O9S	724.383	NA	PeJP	NA	NA
+PJ022465	GTTKRY 	C31H52N10O10	724.3868	NA	PeJP	NA	NA
+PJ022466	AHRRW 	C32H48N14O6	724.3882	NA	PeJP	NA	NA
+PJ022467	TKKYW 	C36H52N8O8	724.3908	NA	PeJP	NA	NA
+PJ022468	GGPPVLW 	C36H52N8O8	724.3909	NA	PeJP	NA	NA
+PJ022469	GVKKMY 	C33H56N8O8S	724.3942	NA	PeJP	NA	NA
+PJ022470	LLFFW 	C41H52N6O6	724.3949	NA	PeJP	NA	NA
+PJ022471	SPTKHR 	C30H52N12O9	724.398	NA	PeJP	NA	NA
+PJ022472	APPERR 	C30H52N12O9	724.3981	NA	PeJP	NA	NA
+PJ022473	GPPLRW 	C35H52N10O7	724.4021	NA	PeJP	NA	NA
+MJ092115	12-Oleanene-3,16,21,22,23,28-hexol, 28-Ac, 3-O-?-D-glucuronopyranoside 	C38H60O13	724.403392	NA	MeJP	NA	NA
+MJ092116	3-Hydroxyspirostan-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C38H60O13	724.403392	NA	MeJP	NA	NA
+MJ092117	Spirost-5-ene-1,3,24-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C38H60O13	724.403392	NA	MeJP	NA	NA
+PJ022474	KKMRY 	C32H56N10O7S	724.4054	NA	PeJP	NA	NA
+PJ022475	PPPKMR 	C32H56N10O7S	724.4055	NA	PeJP	NA	NA
+PJ022476	KEHRR 	C29H52N14O8	724.4093	NA	PeJP	NA	NA
+PJ022477	SSLKKY 	C33H56N8O10	724.412	NA	PeJP	NA	NA
+PJ022478	VKHRW 	C34H52N12O6	724.4133	NA	PeJP	NA	NA
+PJ022479	GLLLFY 	C38H56N6O8	724.416	NA	PeJP	NA	NA
+MJ092118	Roseolide A 	C42H60O10	724.418648	NA	MeJP	NA	NA
+PJ022480	THRRR 	C28H52N16O7	724.4205	NA	PeJP	NA	NA
+PJ022481	PPVKER 	C32H56N10O9	724.4232	NA	PeJP	NA	NA
+MJ092119	Antibiotic L 156373, 1-(N-Hydroxy-L-leucine), 6-L-isoleucine analogue 	C37H56N8O7	724.427196	NA	MeJP	NA	NA
+MJ092120	Unguisin B 	C37H56N8O7	724.427196	NA	MeJP	NA	NA
+PJ022482	PPVVKW 	C37H56N8O7	724.4272	NA	PeJP	NA	NA
+PJ022483	VLLLMH 	C34H60N8O7S	724.4306	NA	PeJP	NA	NA
+PJ022484	SPPLRR 	C31H56N12O8	724.4344	NA	PeJP	NA	NA
+PJ022485	GGAKKKH 	C31H56N12O8	724.4345	NA	PeJP	NA	NA
+PJ022486	KKFFR 	C36H56N10O6	724.4385	NA	PeJP	NA	NA
+MJ092121	16,22-Dihydroxycholest-4-en-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092122	16,22-Dihydroxycholest-4-en-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092123	Ergosta-8(14),22-diene-3,6,15,26-tetrol, 26-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092124	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Digitoxopyranosyl-(1?4)-O-?-D-digitoxopyranosyl-(1?4)-O-?-D-digitoxopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092125	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092126	Spirostan-3-ol, 3-O-[?-D-Fucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092127	Spirostane-3,6-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+MJ092128	Spirostane-3,6-diol, 6-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C39H64O12	724.439777	NA	MeJP	NA	NA
+PJ022487	GPPTLLK 	C34H60N8O9	724.4484	NA	PeJP	NA	NA
+3883	temporin B	LLPIVGNLLKSLLG	724.45945	MH2+	Inhouse_peptide	NA	peptide
+PJ022488	PVLLQR 	C33H60N10O8	724.4596	NA	PeJP	NA	NA
+PJ022489	APLLRR 	C32H60N12O7	724.4708	NA	PeJP	NA	NA
+MJ092129	Abierixin 	C40H68O11	724.476163	NA	MeJP	NA	NA
+MJ092130	Antibiotic A 110; Antibiotic A 110-1 	C40H68O11	724.476163	NA	MeJP	NA	NA
+MJ092131	Antibiotic SS 49 	C40H68O11	724.476163	NA	MeJP	NA	NA
+MJ092132	Antibiotic TAN 1460B 	C40H68O11	724.476163	NA	MeJP	NA	NA
+MJ092133	Antibiotic TM 582 	C40H68O11	724.476163	NA	MeJP	NA	NA
+MJ092134	Nigericin 	C40H68O11	724.476163	NA	MeJP	NA	NA
+C11609	Nigericin	C40H68O11	724.4762	NA	KEGG	NA	NA
+PJ022490	AAPLLLK 	C35H64N8O8	724.4848	NA	PeJP	NA	NA
+MJ092135	Chimeramycin A; O-De(2,6-dideoxy-3-C-methyl-ribo-hexosyl), O-de-Ac 	C39H68N2O10	724.487396	NA	MeJP	NA	NA
+PJ022491	PVLLKR 	C34H64N10O7	724.496	NA	PeJP	NA	NA
+MJ092136	1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) 	C41H72O10	724.512548	NA	MeJP	NA	NA
+EUR1084	SM(d18:1/18:3) monoisotopic mass 	C41H77N2O6P	724.551926	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1084	SM(d18:1/18:3) monoisotopic mass 	C41H77N2O6P	724.551926	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1084	SM(d18:1/18:3) monoisotopic mass 	C41H77N2O6P	724.551926	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1084	SM(d18:1/18:3) monoisotopic mass 	C41H77N2O6P	724.551926	masses lipides attendues	Inhousejuil11	NA	NA
+MJ092137	Bacterioruberin; 3''-Deoxy, 2'',3''-didehydro, 3',4'-dihydro 	C50H76O3	724.579446	NA	MeJP	NA	NA
+HMDB07587	DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07614	DG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07641	DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07642	DG(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07669	DG(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07697	DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07725	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07754	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07782	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+HMDB07839	DG(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C47H80O5	724.600586	NA	HMDB2010	NA	NA
+MJ092138	20(29)-Lupene-3,7,15-triol, 3-Octadecanoyl 	C48H84O4	724.636961	NA	MeJP	NA	NA
+MJ092139	Anomoian A 	C24H31Br4N3O3	724.909892	NA	MeJP	NA	NA
+C06230	Fe-enterobactin	C30H27FeN3O15	725.0792	NA	KEGG	NA	NA
+FL7AAGGL0036	Delphinidin 3,5-diglucoside-6''-O-4, 6'''-O-1-cyclic-malyl diester	C31H33O20	725.15651	-	knapsack	NA	NA
+PJ022492	GTCCCCH 	C24H39N9O9S4	725.1754	NA	PeJP	NA	NA
+PJ022493	GSCDDDD 	C24H35N7O17S	725.181	NA	PeJP	NA	NA
+PJ022494	GPCCCDE 	C25H39N7O12S3	725.1819	NA	PeJP	NA	NA
+FL7AAIGL0030	Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside	C32H37O19	725.1929	-	knapsack	NA	NA
+PJ022495	SSSCCCH 	C24H39N9O11S3	725.1931	NA	PeJP	NA	NA
+PJ022496	PCCCDW 	C29H39N7O9S3	725.1972	NA	PeJP	NA	NA
+PJ022497	CNDDEM 	C25H39N7O14S2	725.1997	NA	PeJP	NA	NA
+PJ022498	PPTCCCC 	C26H43N7O9S4	725.2005	NA	PeJP	NA	NA
+FL7AAAGL0021	Pelargonidin 3-(4'''-p-coumarylrutinoside)	C36H37O16	725.20816	-	knapsack	NA	NA
+PJ022499	CCCNHF 	C28H39N9O8S3	725.2084	NA	PeJP	NA	NA
+PJ022500	CCDDDR 	C24H39N9O13S2	725.2109	NA	PeJP	NA	NA
+PJ022501	GCDDMW 	C29H39N7O11S2	725.2149	NA	PeJP	NA	NA
+PJ022502	GSSDDDM 	C25H39N7O16S	725.2174	NA	PeJP	NA	NA
+PJ022503	GSPCCEM 	C26H43N7O11S3	725.2183	NA	PeJP	NA	NA
+PJ022504	SCCNNW 	C28H39N9O10S2	725.2262	NA	PeJP	NA	NA
+PJ022505	SSSCNND 	C24H39N9O15S	725.2286	NA	PeJP	NA	NA
+PJ022506	GGSSSCND 	C24H39N9O15S	725.2287	NA	PeJP	NA	NA
+PJ022507	CNNNMM 	C25H43N9O10S3	725.2295	NA	PeJP	NA	NA
+PJ022508	GGGGGGCMM 	C25H43N9O10S3	725.2296	NA	PeJP	NA	NA
+PJ022509	CCEWW 	C33H39N7O8S2	725.2302	NA	PeJP	NA	NA
+PJ022510	SSCDEW 	C29H39N7O13S	725.2327	NA	PeJP	NA	NA
+PJ022511	SPCCMW 	C30H43N7O8S3	725.2335	NA	PeJP	NA	NA
+PJ022512	GPPCCCF 	C30H43N7O8S3	725.2336	NA	PeJP	NA	NA
+PJ022513	SSSSDDE 	C25H39N7O18	725.2352	NA	PeJP	NA	NA
+PJ022514	SPTTCCD 	C26H43N7O13S2	725.236	NA	PeJP	NA	NA
+PJ022515	SNDEMM 	C26H43N7O13S2	725.2361	NA	PeJP	NA	NA
+PJ022516	CDYYY 	C34H39N5O11S	725.2367	NA	PeJP	NA	NA
+PJ022517	PCNMMM 	C27H47N7O8S4	725.2369	NA	PeJP	NA	NA
+PJ022518	CCCNQR 	C24H43N11O9S3	725.2408	NA	PeJP	NA	NA
+PJ022519	CNNNDF 	C28H39N9O12S	725.2439	NA	PeJP	NA	NA
+PJ022520	SCDDMR 	C25H43N9O12S2	725.2473	NA	PeJP	NA	NA
+PJ022521	GNDEEY 	C29H39N7O15	725.2504	NA	PeJP	NA	NA
+PJ022522	GGGDEEY 	C29H39N7O15	725.2505	NA	PeJP	NA	NA
+PJ022523	GSDMMW 	C30H43N7O10S2	725.2513	NA	PeJP	NA	NA
+PJ022524	GSSSEEM 	C26H43N7O15S	725.2538	NA	PeJP	NA	NA
+PJ022525	GQEMMM 	C27H47N7O10S3	725.2547	NA	PeJP	NA	NA
+PJ022526	SCNEHH 	C27H39N11O11S	725.2552	NA	PeJP	NA	NA
+PJ022527	CMFYY 	C35H43N5O8S2	725.2553	NA	PeJP	NA	NA
+PJ022528	GSSCCNR 	C24H43N11O11S2	725.2585	NA	PeJP	NA	NA
+PJ022529	SNNNDY 	C28H39N9O14	725.2617	NA	PeJP	NA	NA
+PJ022530	SSSSNNM 	C25H43N9O14S	725.265	NA	PeJP	NA	NA
+PJ022531	GGGGSSSSM 	C25H43N9O14S	725.2651	NA	PeJP	NA	NA
+PJ022532	NDEYW 	C33H39N7O12	725.2657	NA	PeJP	NA	NA
+PJ022533	GCEMMR 	C26H47N9O9S3	725.2659	NA	PeJP	NA	NA
+PJ022534	TCMWW 	C34H43N7O7S2	725.2666	NA	PeJP	NA	NA
+PJ022535	SSSEMW 	C30H43N7O12S	725.2691	NA	PeJP	NA	NA
+PJ022536	QMMMW 	C31H47N7O7S3	725.2699	NA	PeJP	NA	NA
+PJ022537	GSCHHW 	C31H39N11O8S	725.2704	NA	PeJP	NA	NA
+PJ022538	SSSSTEE 	C26H43N7O17	725.2716	NA	PeJP	NA	NA
+PJ022539	STQEMM 	C27H47N7O12S2	725.2724	NA	PeJP	NA	NA
+PJ022540	GSSSDHH 	C27H39N11O13	725.2729	NA	PeJP	NA	NA
+PJ022541	SMYYY 	C35H43N5O10S	725.2731	NA	PeJP	NA	NA
+PJ022542	GNMMHH 	C28H43N11O8S2	725.2738	NA	PeJP	NA	NA
+PJ022543	GPDDHW 	C32H39N9O11	725.2769	NA	PeJP	NA	NA
+PJ022544	CCCNKR 	C25H47N11O8S3	725.2771	NA	PeJP	NA	NA
+PJ022545	GGCCCKR 	C25H47N11O8S3	725.2772	NA	PeJP	NA	NA
+PJ022546	GNNQMY 	C29H43N9O11S	725.2803	NA	PeJP	NA	NA
+PJ022547	GDYWW 	C37H39N7O9	725.281	NA	PeJP	NA	NA
+PJ022548	CMMRW 	C30H47N9O6S3	725.2812	NA	PeJP	NA	NA
+PJ022549	GSSSSSSQ 	C25H43N9O16	725.2828	NA	PeJP	NA	NA
+PJ022550	SSDMMR 	C26H47N9O11S2	725.2837	NA	PeJP	NA	NA
+PJ022551	NNNNNH 	C26H39N13O12	725.2841	NA	PeJP	NA	NA
+PJ022552	GGGGNNNH 	C26H39N13O12	725.2842	NA	PeJP	NA	NA
+PJ022553	GPTCYW 	C34H43N7O9S	725.2843	NA	PeJP	NA	NA
+PJ022554	ACCHHR 	C27H43N13O7S2	725.285	NA	PeJP	NA	NA
+PJ022555	GTQEEY 	C30H43N7O14	725.2868	NA	PeJP	NA	NA
+PJ022556	GTTMMW 	C31H47N7O9S2	725.2877	NA	PeJP	NA	NA
+PJ022557	GNDHHF 	C31H39N11O10	725.2882	NA	PeJP	NA	NA
+PJ022558	CFFFY 	C39H43N5O7S	725.2883	NA	PeJP	NA	NA
+PJ022559	GSTTTEM 	C27H47N7O14S	725.2902	NA	PeJP	NA	NA
+PJ022560	GKEMMM 	C28H51N7O9S3	725.2911	NA	PeJP	NA	NA
+PJ022561	GCNNRY 	C28H43N11O10S	725.2915	NA	PeJP	NA	NA
+PJ022562	GGGGGCRY 	C28H43N11O10S	725.2916	NA	PeJP	NA	NA
+PJ022563	CDFRW 	C33H43N9O8S	725.2956	NA	PeJP	NA	NA
+PJ022564	SSNQQY 	C29H43N9O13	725.298	NA	PeJP	NA	NA
+PJ022565	GSDERY 	C29H43N9O13	725.2981	NA	PeJP	NA	NA
+PJ022566	GPCMRY 	C30H47N9O8S2	725.2989	NA	PeJP	NA	NA
+PJ022567	GMFWW 	C38H43N7O6S	725.2996	NA	PeJP	NA	NA
+PJ022568	SSSSCQK 	C26H47N9O13S	725.3014	NA	PeJP	NA	NA
+PJ022569	TQEYW 	C34H43N7O11	725.3021	NA	PeJP	NA	NA
+PJ022570	GTMMMR 	C27H51N9O8S3	725.3023	NA	PeJP	NA	NA
+PJ022571	SSCHHR 	C27H43N13O9S	725.3028	NA	PeJP	NA	NA
+PJ022572	STTTMW 	C31H47N7O11S	725.3054	NA	PeJP	NA	NA
+PJ022573	GVQEMY 	C31H47N7O11S	725.3055	NA	PeJP	NA	NA
+PJ022574	AFYYY 	C39H43N5O9	725.3061	NA	PeJP	NA	NA
+PJ022575	KMMMW 	C32H51N7O6S3	725.3063	NA	PeJP	NA	NA
+PJ022576	SSTTTTE 	C27H47N7O16	725.3079	NA	PeJP	NA	NA
+PJ022577	STKEMM 	C28H51N7O11S2	725.3088	NA	PeJP	NA	NA
+PJ022578	SPDDHR 	C28H43N11O12	725.3093	NA	PeJP	NA	NA
+PJ022579	ACKMHH 	C29H47N11O7S2	725.3102	NA	PeJP	NA	NA
+PJ022580	SDRYW 	C33H43N9O10	725.3133	NA	PeJP	NA	NA
+PJ022581	QEMRY 	C30H47N9O10S	725.3167	NA	PeJP	NA	NA
+PJ022582	ATYWW 	C38H43N7O8	725.3173	NA	PeJP	NA	NA
+PJ022583	GSSSSSSK 	C26H47N9O15	725.3192	NA	PeJP	NA	NA
+PJ022584	STTMMR 	C27H51N9O10S2	725.32	NA	PeJP	NA	NA
+PJ022585	GSTCCKK 	C27H51N9O10S2	725.3201	NA	PeJP	NA	NA
+PJ022586	GNNEHR 	C27H43N13O11	725.3205	NA	PeJP	NA	NA
+PJ022587	GGGGGEHR 	C27H43N13O11	725.3206	NA	PeJP	NA	NA
+PJ022588	VQMYW 	C35H47N7O8S	725.3207	NA	PeJP	NA	NA
+PJ022589	GTKEEY 	C31H47N7O13	725.3232	NA	PeJP	NA	NA
+PJ022590	GPKMMY 	C32H51N7O8S2	725.3241	NA	PeJP	NA	NA
+PJ022591	QQQHW 	C32H43N11O9	725.3245	NA	PeJP	NA	NA
+PJ022592	GAQQHW 	C32H43N11O9	725.3246	NA	PeJP	NA	NA
+PJ022593	SSSTTLM 	C28H51N7O13S	725.3266	NA	PeJP	NA	NA
+PJ022594	SVKMMM 	C29H55N7O8S3	725.3274	NA	PeJP	NA	NA
+PJ022595	TCLKMM 	C29H55N7O8S3	725.3275	NA	PeJP	NA	NA
+PJ022596	CERRY 	C29H47N11O9S	725.3279	NA	PeJP	NA	NA
+PJ022597	PTHWW 	C37H43N9O7	725.3286	NA	PeJP	NA	NA
+PJ022598	AMRYW 	C34H47N9O7S	725.3319	NA	PeJP	NA	NA
+PJ022599	GPVMHW 	C34H47N9O7S	725.332	NA	PeJP	NA	NA
+PJ022600	GTTERY 	C30H47N9O12	725.3344	NA	PeJP	NA	NA
+PJ022601	GGGGSTKY 	C30H47N9O12	725.3345	NA	PeJP	NA	NA
+PJ022602	AAMMFR 	C31H51N9O7S2	725.3353	NA	PeJP	NA	NA
+PJ022603	NNHRW 	C31H43N13O8	725.3358	NA	PeJP	NA	NA
+PJ022604	SSSSCKK 	C27H51N9O12S	725.3378	NA	PeJP	NA	NA
+PJ022605	TKEYW 	C35H47N7O10	725.3385	NA	PeJP	NA	NA
+3637	NA	YPFGFP~	725.34	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ092140	2(3?20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,7,10,13-tetra-Ac 	C39H51NO12	725.341126	NA	MeJP	NA	NA
+MJ092141	Austrotaxine; O2'-De-Ac 	C39H51NO12	725.341126	NA	MeJP	NA	NA
+PJ022606	GVKEMY 	C32H51N7O10S	725.3418	NA	PeJP	NA	NA
+PJ022607	GPPPVEM 	C32H51N7O10S	725.3419	NA	PeJP	NA	NA
+PJ022608	PMHRW 	C33H47N11O6S	725.3432	NA	PeJP	NA	NA
+PJ022609	TTTTTTT 	C28H51N7O15	725.3443	NA	PeJP	NA	NA
+PJ022610	GVEEHR 	C29H47N11O11	725.3457	NA	PeJP	NA	NA
+PJ022611	TTRYW 	C34H47N9O9	725.3497	NA	PeJP	NA	NA
+PJ022612	KEMRY 	C31H51N9O9S	725.3531	NA	PeJP	NA	NA
+PJ022613	VQFFW 	C39H47N7O7	725.3537	NA	PeJP	NA	NA
+MJ092142	Myomycin B 	C27H51N9O14	725.355547	NA	MeJP	NA	NA
+PJ022614	EEHRR 	C28H47N13O10	725.3569	NA	PeJP	NA	NA
+PJ022615	VKMYW 	C36H51N7O7S	725.3571	NA	PeJP	NA	NA
+PJ022616	SSLKEY 	C32H51N7O12	725.3596	NA	PeJP	NA	NA
+PJ022617	GLKMMF 	C33H55N7O7S2	725.3605	NA	PeJP	NA	NA
+PJ022618	VEHRW 	C33H47N11O8	725.3609	NA	PeJP	NA	NA
+PJ022619	GGGPPRW 	C33H47N11O8	725.361	NA	PeJP	NA	NA
+PJ022620	TMRRY 	C30H51N11O8S	725.3643	NA	PeJP	NA	NA
+PJ022621	VVHWW 	C38H47N9O6	725.365	NA	PeJP	NA	NA
+PJ022622	GSNHRR 	C27H47N15O9	725.3682	NA	PeJP	NA	NA
+MJ092143	Aspergillic acid, Fe complex 	C36H57FeN6O6	725.3689	NA	MeJP	NA	NA
+MJ092144	Ferrineoaspergillin 	C36H57FeN6O6	725.3689	NA	MeJP	NA	NA
+PJ022623	SSTLRY 	C31H51N9O11	725.3708	NA	PeJP	NA	NA
+PJ022624	GGAAPPKE 	C31H51N9O11	725.3709	NA	PeJP	NA	NA
+PJ022625	APKHHH 	C32H47N13O7	725.3722	NA	PeJP	NA	NA
+PJ022626	APTKFY 	C36H51N7O9	725.3748	NA	PeJP	NA	NA
+MJ092145	Blattella Allatostatic neuropeptide 1 	C36H51N7O9	725.374826	NA	MeJP	NA	NA
+PJ022627	PPVVEW 	C36H51N7O9	725.3749	NA	PeJP	NA	NA
+PJ022628	ATLKMY 	C33H55N7O9S	725.3782	NA	PeJP	NA	NA
+PJ022629	ATLEHR 	C30H51N11O10	725.3821	NA	PeJP	NA	NA
+PJ022630	GTLLHW 	C35H51N9O8	725.3861	NA	PeJP	NA	NA
+MJ092146	Monamycins; Monamycin H1 	C34H56ClN7O8	725.387889	NA	MeJP	NA	NA
+MJ092147	Monamycins; Monamycin H2 	C34H56ClN7O8	725.387889	NA	MeJP	NA	NA
+PJ022631	GCKKKY 	C32H55N9O8S	725.3895	NA	PeJP	NA	NA
+PJ022632	VKFFW 	C40H51N7O6	725.3901	NA	PeJP	NA	NA
+PJ022633	SPPNRR 	C29H51N13O9	725.3933	NA	PeJP	NA	NA
+PJ022634	TTTLKY 	C33H55N7O11	725.396	NA	PeJP	NA	NA
+PJ022635	QKKHW 	C34H51N11O7	725.3973	NA	PeJP	NA	NA
+PJ022636	GLLMHR 	C31H55N11O7S	725.4007	NA	PeJP	NA	NA
+PJ022637	SLLKEH 	C32H55N9O10	725.4072	NA	PeJP	NA	NA
+PJ022638	PPTLLW 	C37H55N7O8	725.4112	NA	PeJP	NA	NA
+PJ022639	GPPVLLM 	C34H59N7O8S	725.4146	NA	PeJP	NA	NA
+PJ022640	VTTLHR 	C31H55N11O9	725.4184	NA	PeJP	NA	NA
+PJ022641	STLLHR 	C31H55N11O9	725.4185	NA	PeJP	NA	NA
+PJ022642	APPKKW 	C36H55N9O7	725.4225	NA	PeJP	NA	NA
+PJ022643	PPLLMR 	C33H59N9O7S	725.4259	NA	PeJP	NA	NA
+PJ022644	GPLQRR 	C30H55N13O8	725.4297	NA	PeJP	NA	NA
+PJ022645	AAPLLLE 	C34H59N7O10	725.4324	NA	PeJP	NA	NA
+PJ022646	KKKHW 	C35H55N11O6	725.4337	NA	PeJP	NA	NA
+MJ092148	Antibiotic YT 3927 	C38H63NO12	725.435026	NA	MeJP	NA	NA
+MJ092149	Obtusine; 3-O-[6-Deoxy-3-O-methyl-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C38H63NO12	725.435026	NA	MeJP	NA	NA
+PJ022647	AAPRRR 	C29H55N15O7	725.4409	NA	PeJP	NA	NA
+PJ022648	PVLLER 	C33H59N9O9	725.4436	NA	PeJP	NA	NA
+PJ022649	PVVLLW 	C38H59N7O7	725.4476	NA	PeJP	NA	NA
+PJ022650	PPTKKR 	C32H59N11O8	725.4548	NA	PeJP	NA	NA
+PJ022651	GGPVLKR 	C32H59N11O8	725.4549	NA	PeJP	NA	NA
+PJ022652	GPLKRR 	C31H59N13O7	725.4661	NA	PeJP	NA	NA
+PJ022653	GPTLLLL 	C35H63N7O9	725.4688	NA	PeJP	NA	NA
+PJ022654	PLLQKK 	C34H63N9O8	725.48	NA	PeJP	NA	NA
+PJ022655	PVVKKR 	C33H63N11O7	725.4912	NA	PeJP	NA	NA
+MJ092150	Kailuin; !Kailuin B 	C37H67N5O9	725.493878	NA	MeJP	NA	NA
+MJ092151	Kailuin; !Kailuin C 	C37H67N5O9	725.493878	NA	MeJP	NA	NA
+HMDB07877	PC(14:0/18:4(6Z,9Z,12Z,15Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB07908	PC(14:1(9Z)/18:3(6Z,9Z,12Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB07909	PC(14:1(9Z)/18:3(9Z,12Z,15Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB08164	PC(18:3(6Z,9Z,12Z)/14:1(9Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB08197	PC(18:3(9Z,12Z,15Z)/14:1(9Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB08229	PC(18:4(6Z,9Z,12Z,15Z)/14:0)	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB08904	PE(15:0/20:4(5Z,8Z,11Z,14Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB08905	PE(15:0/20:4(8Z,11Z,14Z,17Z))	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB09384	PE(20:4(5Z,8Z,11Z,14Z)/15:0)	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+HMDB09417	PE(20:4(8Z,11Z,14Z,17Z)/15:0)	C40H72NO8P	725.499573	NA	HMDB2010	NA	NA
+PJ022656	AAILLLL 	C36H67N7O8	725.5051	NA	PeJP	NA	NA
+PJ022657	AALLLLL 	C36H67N7O8	725.5052	NA	PeJP	NA	NA
+MJ092152	1,1'-([1,1'-Bicyclohexyl]-4,4'-diyldi-2,1-ethanediyl)bis[1,2-dimethylpiperidinium](2+) 	C30H58N22(+)	725.513654	NA	MeJP	NA	NA
+MJ092153	1,1'-([1,1'-Bicyclohexyl]-4,4'-diyldi-2,1-ethanediyl)bis[1,3-dimethylpiperidinium](2+) 	C30H58N22(+)	725.513654	NA	MeJP	NA	NA
+MJ092154	1,1'-([1,1'-Bicyclohexyl]-4,4'-diyldi-2,1-ethanediyl)bis[1,4-dimethylpiperidinium](2+) 	C30H58N22(+)	725.513654	NA	MeJP	NA	NA
+PJ022658	VLLLLR 	C35H67N9O7	725.5164	NA	PeJP	NA	NA
+HMDB09116	PE(18:2(9Z,12Z)/P-18:1(11Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB09117	PE(18:2(9Z,12Z)/P-18:1(9Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB09148	PE(18:3(6Z,9Z,12Z)/P-18:0)	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB09181	PE(18:3(9Z,12Z,15Z)/P-18:0)	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB09345	PE(20:3(5Z,8Z,11Z)/P-16:0)	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB09378	PE(20:3(8Z,11Z,14Z)/P-16:0)	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB11350	PE(P-16:0/20:3(5Z,8Z,11Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB11351	PE(P-16:0/20:3(8Z,11Z,14Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB11377	PE(P-18:0/18:3(6Z,9Z,12Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB11378	PE(P-18:0/18:3(9Z,12Z,15Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB11409	PE(P-18:1(11Z)/18:2(9Z,12Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+HMDB11442	PE(P-18:1(9Z)/18:2(9Z,12Z))	C41H76NO7P	725.53595	NA	HMDB2010	NA	NA
+MJ092155	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C41H75NO9	725.544183	NA	MeJP	NA	NA
+EUR1065	SM(d18:1/16:0) [M+Na]+	C39H80N2O6P	725.557347	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1065	SM(d18:1/16:0) [M+Na]+	C39H80N2O6P	725.557347	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1065	SM(d18:1/16:0) [M+Na]+	C39H80N2O6P	725.557347	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1065	SM(d18:1/16:0) [M+Na]+	C39H80N2O6P	725.557347	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB04970	Glucosylceramide (d18:1/9Z-18:1)	C42H79NO8	725.580566	NA	HMDB2010	NA	NA
+HMDB10714	Galactosylceramide (d18:1/18:1(9Z))	C42H79NO8	725.580566	NA	HMDB2010	NA	NA
+HMDB04970	Glucosylceramide (d18:1/9Z-18:1)	C42H79NO8	725.58057	http://www.hmdb.ca/metabolites/HMDB04970	HMDB	NA	NA
+HMDB04970	Glucosylceramide (d18:1/9Z-18:1)	C42H79NO8	725.58057	HMDB04970	PFEM_hmdb_metabocards_official	NA	NA
+MJ092156	Antibiotic Sch 52900 	C31H30N6O7S4	726.10588	NA	MeJP	NA	NA
+MJ092157	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Ph glycoside, 6,6'-ditosyl 	C32H38O15S2	726.165211	NA	MeJP	NA	NA
+MJ092158	Betanidin; 15-Epimer, 5-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34N2O19	726.175576	NA	MeJP	NA	NA
+MJ092159	Betanidin; 5-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside] 	C30H34N2O19	726.175576	NA	MeJP	NA	NA
+C08537	Amaranthin	C30H34N2O19	726.1756	NA	KEGG	NA	NA
+PJ022659	CCCMMH 	C25H42N8O7S5	726.178	NA	PeJP	NA	NA
+MJ092160	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](E)- 	C35H35O17(+)	726.179599	NA	MeJP	NA	NA
+MJ092161	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](Z-) 	C35H35O17(+)	726.179599	NA	MeJP	NA	NA
+PJ022660	CDDDEM 	C25H38N6O15S2	726.1837	NA	PeJP	NA	NA
+PJ022661	GCCCNNN 	C23H38N10O11S3	726.1884	NA	PeJP	NA	NA
+C08547	Gomphrenin-V	C34H34N2O16	726.1908	NA	KEGG	NA	NA
+C08552	Lampranthin II	C34H34N2O16	726.1908	NA	KEGG	NA	NA
+MJ092162	Betanidin; 15-Epimer, 6-O-[4-hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C34H34N2O16	726.190833	NA	MeJP	NA	NA
+MJ092163	Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C34H34N2O16	726.190833	NA	MeJP	NA	NA
+MJ092164	Betanidin; 6-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C34H34N2O16	726.190833	NA	MeJP	NA	NA
+PJ022662	CCCDHF 	C28H38N8O9S3	726.1924	NA	PeJP	NA	NA
+FL2FAAGS0013	Prunin 3'',6''-di-p-coumarate	C39H34O14	726.19485	84823-66-5	knapsack	NA	NA
+MJ092165	4',5,7-Trihydroxyflavanone, 7-O-[3,6-Bis-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside] 	C39H34O14	726.194855	NA	MeJP	NA	NA
+PJ022663	GSCCNDE 	C24H38N8O14S2	726.1949	NA	PeJP	NA	NA
+PJ022664	GPCCCNM 	C25H42N8O9S4	726.1958	NA	PeJP	NA	NA
+FL3FAACS0036	Schaftoside 6''-O-glucoside	C32H38O19	726.20072	94530-41-3	knapsack	NA	NA
+FL3FAADS0011	Isovitexin 7-O-xyloside-2''-O-glucoside	C32H38O19	726.20072	84842-16-0	knapsack	NA	NA
+FL3FAADS0013	Isomollupentin 7,2''-di-O-glucoside	C32H38O19	726.20072	72277-61-3	knapsack	NA	NA
+FL3FAADS0020	Isoschaftoside 4'-O-glucoside	C32H38O19	726.20072	151922-19-9	knapsack	NA	NA
+FL3FAADS0021	Schaftoside 4'-O-glucoside	C32H38O19	726.20072	151922-20-2	knapsack	NA	NA
+FL3FAADS0033	Isovitexin 7-O-glucoside 2''-O-arabinoside	C32H38O19	726.20072	89648-73-7	knapsack	NA	NA
+FL3FAADS0034	Isovitexin 7-O-galactoside 2''-O-arabinoside	C32H38O19	726.20072	87551-96-0	knapsack	NA	NA
+FL3FAADS0036	Isovitexin 7-O-arabinoside 2''-O-glucoside	C32H38O19	726.20072	-	knapsack	NA	NA
+FL3FAADS0037	Isovitexin 4'-O-glucoside 2''-O-arabinoside;Vaccarin;6-(2-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C32H38O19	726.20072	53452-16-7	knapsack	NA	NA
+FL5FAAGA0016	Kaempferol 3-(2Gal-apiosylrobinobioside)	C32H38O19	726.20072	132185-73-0	knapsack	NA	NA
+FL5FAAGA0019	Kaempferol 3-lathyroside-7-rhamnoside	C32H38O19	726.20072	151136-21-9	knapsack	NA	NA
+FL5FAAGL0027	Camelliaside B	C32H38O19	726.20072	131573-90-5	knapsack	NA	NA
+FL5FAAGS0077	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one	C32H38O19	726.20072	416846-51-0	knapsack	NA	NA
+FL5FAAGS0078	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside;Helieianeoside A;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one	C32H38O19	726.20072	496066-82-1	knapsack	NA	NA
+FL5FAAGS0087	Kaempferol 3-robinobioside-7-alpha-L-arabinofuranoside	C32H38O19	726.20072	-	knapsack	NA	NA
+FL5FAAGS0092	Kaempferol 3-apioside-7-rhamnosyl-(1->6)-galactoside;3-(D-Apio-beta-D-furanosyloxy)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H38O19	726.20072	474779-39-0	knapsack	NA	NA
+FL5FACGS0044	Quercetin 3-xylosyl-(1->2)-rhamnoside-4'-rhamnoside	C32H38O19	726.20072	93091-76-0	knapsack	NA	NA
+FL5FCAGS0010	Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apioside-4'-glucoside;3-[(5-O-D-apio-beta-D-furanosyl-D-apio-beta-D-furanosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C32H38O19	726.20072	165327-88-8	knapsack	NA	NA
+MJ092166	3,4',5,7-Tetrahydroxyflavone; 3-O-[Rhamnosyl-(1??)-galactoside], 7-O-arabinoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092167	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?5)-?-D-apiofuranoside], 4'-O-?-D-glucopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092168	Astragalin; 2''-O-?-D-Xylopyranosyl, 6''-O-?-L-rhamnopyranosyl 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092169	Frachinoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092170	Isomollupentin; 2'',7-Di-O-?-D-glucopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092171	Isoschaftoside; 4'-O-?-D-Glucopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092172	Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-arabinoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092173	Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-xyloside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092174	Isovitexin; 2''-O-?-L-Arabinopyranosyl, 4'-O-?-D-glucopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092175	Isovitexin; 2''-O-?-L-Arabinopyranosyl, 7-O-?-D-galactopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092176	Isovitexin; 2''-O-?-L-Arabinopyranosyl, 7-O-?-D-glucopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092177	Isovitexin; O''-[Arabinosyl-(1??)-?-D-glucopyranosyl] 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092178	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1??)-xyloside] 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092179	Quercitrin; 2''-O-?-D-Xylopyranosyl, 4'-O-?-L-rhamnopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092180	Schaftoside; 4'-O-?-D-Glucopyranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092181	Schaftoside; 6''-O-?-D-Glucopyranosyl 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092182	Trifolin; 2''-O-?-D-Apiofuranosyl, 6''-O-?-L-rhamnopyranosyl 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092183	Trifolin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-L-arabinofuranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092184	Trifolin; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-L-arabinofuranoside 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092185	?-Rhamnoisorobin; 3-O-[?-D-Xylopyranosyl-(1?2)-D-galactopyranoside] 	C32H38O19	726.200729	NA	MeJP	NA	NA
+MJ092186	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C32H39O19(+)	726.200729	NA	MeJP	NA	NA
+MJ092187	Topsentiasterol sulfate D 	C30H46O14S3	726.204968	NA	MeJP	NA	NA
+PJ022665	SCCNDW 	C28H38N8O11S2	726.2102	NA	PeJP	NA	NA
+MJ092188	Lipopurealins; Lipopurealin A 	C31H48Br2N6O4	726.210379	NA	MeJP	NA	NA
+PJ022666	SSSCNDD 	C24H38N8O16S	726.2127	NA	PeJP	NA	NA
+PJ022667	CNNDMM 	C25H42N8O11S3	726.2135	NA	PeJP	NA	NA
+PJ022668	GGGGCDMM 	C25H42N8O11S3	726.2136	NA	PeJP	NA	NA
+FL1C1AGS0010	Isoliquiritigenin 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside;4,2',4'-Trihydroxychalcone 4-O-(5'''-O-feruloyl)-apiofuranosyl-(1'''->2'')-glucoside	C36H38O16	726.21598	202657-28-1	knapsack	NA	NA
+FL2F1AGS0010	Licorice glycoside C1;(2R)-7,4'-Dihydroxyflavanone 4'-[4-feruloylapiosyl-(1->2)-glucoside]	C36H38O16	726.21598	202657-31-6	knapsack	NA	NA
+FL2F1AGS0011	Licorice glycoside C2;(2S)-7,4'-Dihydroxyflavanone 4'-[4-feruloylapiosyl-(1->2)-glucoside]	C36H38O16	726.21598	202657-31-6	knapsack	NA	NA
+MJ092189	2',4,4'-Trihydroxychalcone; 4-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C36H38O16	726.215985	NA	MeJP	NA	NA
+MJ092190	4',7-Dihydroxyflavanone, 4'-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C36H38O16	726.215985	NA	MeJP	NA	NA
+MJ092191	Aphinin-sm 	C36H38O16	726.215985	NA	MeJP	NA	NA
+MJ092192	Bambusicolaside IV 	C36H38O16	726.215985	NA	MeJP	NA	NA
+MJ092193	Protoaphin fb 	C36H38O16	726.215985	NA	MeJP	NA	NA
+PJ022669	PCDDDY 	C29H38N6O14S	726.2167	NA	PeJP	NA	NA
+PJ022670	SDDEMM 	C26H42N6O14S2	726.2201	NA	PeJP	NA	NA
+PJ022671	PCDMMM 	C27H46N6O9S4	726.2209	NA	PeJP	NA	NA
+MJ092194	Atractyligenin; 2-[2-(3-Methylbutanoyl)-3,4-di-O-sulfo-?-D-glucopyranoside] 	C30H46O16S2	726.222726	NA	MeJP	NA	NA
+PJ022672	CCCNER 	C24H42N10O10S3	726.2248	NA	PeJP	NA	NA
+PJ022673	CNNDDF 	C28H38N8O13S	726.2279	NA	PeJP	NA	NA
+PJ022674	GGGGCDDF 	C28H38N8O13S	726.228	NA	PeJP	NA	NA
+PJ022675	GCCQMW 	C29H42N8O8S3	726.2288	NA	PeJP	NA	NA
+PJ022676	GSSCNEM 	C25H42N8O13S2	726.2313	NA	PeJP	NA	NA
+PJ022677	APCCCCK 	C26H46N8O8S4	726.2322	NA	PeJP	NA	NA
+PJ022678	CCNNHH 	C26H38N12O9S2	726.2326	NA	PeJP	NA	NA
+PJ022679	GGGGCCHH 	C26H38N12O9S2	726.2327	NA	PeJP	NA	NA
+PJ022680	GDDEEY 	C29H38N6O16	726.2345	NA	PeJP	NA	NA
+PJ022681	PCDDMF 	C30H42N6O11S2	726.2353	NA	PeJP	NA	NA
+FL2FAAGS0028	Naringenin 7-O-(2'',6''-di-O-alpha-rhamnopyranosyl)-beta-glucopyranoside;5,7,4'-Trihydroxyflavanone 7-(2,6-dirhamnosylglucoside)	C33H42O18	726.23711	98827-55-5	knapsack	NA	NA
+MJ092195	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H42O18	726.237114	NA	MeJP	NA	NA
+MJ092196	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Benzyl glycoside, hepta-Ac 	C33H42O18	726.237114	NA	MeJP	NA	NA
+MJ092197	6-O-?-D-Glucopyranosyl-D-mannose; Pyranose-form, 2-Benzyl, hepta-Ac 	C33H42O18	726.237114	NA	MeJP	NA	NA
+MJ092198	Catalpol; 6-O-[(3-Hydroxy-4-methoxycinnamoyl)-(?3)-2-O-acetyl-?-L-rhamnopyranoside] 	C33H42O18	726.237114	NA	MeJP	NA	NA
+PJ022682	GEEMMM 	C27H46N6O11S3	726.2387	NA	PeJP	NA	NA
+PJ022683	SCDEHH 	C27H38N10O12S	726.2392	NA	PeJP	NA	NA
+PJ022684	GCCCRW 	C28H42N10O7S3	726.24	NA	PeJP	NA	NA
+PJ022685	GSSCCDR 	C24H42N10O12S2	726.2425	NA	PeJP	NA	NA
+PJ022686	SNNDDY 	C28H38N8O15	726.2457	NA	PeJP	NA	NA
+PJ022687	SSCNMW 	C29H42N8O10S2	726.2466	NA	PeJP	NA	NA
+PJ022688	SSSSNDM 	C25H42N8O15S	726.249	NA	PeJP	NA	NA
+PJ022689	GGSSSSDM 	C25H42N8O15S	726.2491	NA	PeJP	NA	NA
+PJ022690	DDEYW 	C33H38N6O13	726.2497	NA	PeJP	NA	NA
+PJ022691	SNNMMM 	C26H46N8O10S3	726.2499	NA	PeJP	NA	NA
+PJ022692	SPDDMY 	C30H42N6O13S	726.2531	NA	PeJP	NA	NA
+PJ022693	EMMMW 	C31H46N6O8S3	726.2539	NA	PeJP	NA	NA
+PJ022694	STEEMM 	C27H46N6O13S2	726.2565	NA	PeJP	NA	NA
+PJ022695	SPMMMM 	C28H50N6O8S4	726.2573	NA	PeJP	NA	NA
+PJ022696	GDMMHH 	C28H42N10O9S2	726.2578	NA	PeJP	NA	NA
+PJ022697	SCCQMR 	C25H46N10O9S3	726.2612	NA	PeJP	NA	NA
+PJ022698	ACCHFF 	C33H42N8O7S2	726.2618	NA	PeJP	NA	NA
+PJ022699	GSSSTCW 	C29H42N8O12S	726.2643	NA	PeJP	NA	NA
+PJ022700	GCCKMW 	C30H46N8O7S3	726.2652	NA	PeJP	NA	NA
+PJ022701	GSSSSSSE 	C25H42N8O17	726.2668	NA	PeJP	NA	NA
+PJ022702	GSSSQMM 	C26H46N8O12S2	726.2677	NA	PeJP	NA	NA
+PJ022703	NNNNDH 	C26H38N12O13	726.2682	NA	PeJP	NA	NA
+PJ022704	DEMFW 	C34H42N6O10S	726.2683	NA	PeJP	NA	NA
+PJ022705	GTEEEY 	C30H42N6O15	726.2708	NA	PeJP	NA	NA
+PJ022706	GPEMMY 	C31H46N6O10S2	726.2717	NA	PeJP	NA	NA
+PJ022707	GDDHHF 	C31H38N10O11	726.2722	NA	PeJP	NA	NA
+PJ022708	SCCCRR 	C24H46N12O8S3	726.2724	NA	PeJP	NA	NA
+MJ092199	2-Hydroxy-2-(1-methylpropyl)butanedioic acid, Bis(4-O-?-D-glucopyranosyloxybenzyl) ester 	C34H46O17	726.2735	NA	MeJP	NA	NA
+MJ092200	2-Hydroxy-2-(2-methylpropyl)butanedioic acid, Bis(4-?-D-glucopyranosyloxybenzyl) ester 	C34H46O17	726.2735	NA	MeJP	NA	NA
+MJ092201	Bruceolide; 15-O-(4-Hydroxy-3,4-dimethyl-2E-pentenoyl), 3-O-?-D-glucopyranoside 	C34H46O17	726.2735	NA	MeJP	NA	NA
+MJ092202	Bruceosin; 15-Deacyl, 15-(4-hydroxy-3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside 	C34H46O17	726.2735	NA	MeJP	NA	NA
+MJ092203	Tangshenoside III 	C34H46O17	726.2735	NA	MeJP	NA	NA
+PJ022709	SVEMMM 	C28H50N6O10S3	726.2751	NA	PeJP	NA	NA
+PJ022710	SSEMHH 	C28H42N10O11S	726.2755	NA	PeJP	NA	NA
+PJ022711	GCNDRY 	C28H42N10O11S	726.2756	NA	PeJP	NA	NA
+PJ022712	GCHHHH 	C29H38N14O7S	726.2769	NA	PeJP	NA	NA
+PJ022713	GSSSCMR 	C25H46N10O11S2	726.2789	NA	PeJP	NA	NA
+PJ022714	NNMYW 	C33H42N8O9S	726.2796	NA	PeJP	NA	NA
+MJ092204	2,5-Bis(1,2,3,4-tetrahydroxybutyl)pyrazine, 2',2''-Bis-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C28H46N4O18	726.28071	NA	MeJP	NA	NA
+PJ022715	SSSSSSW 	C29H42N8O14	726.2821	NA	PeJP	NA	NA
+PJ022716	STCCKW 	C30H46N8O9S2	726.2829	NA	PeJP	NA	NA
+PJ022717	GGGQMMF 	C30H46N8O9S2	726.283	NA	PeJP	NA	NA
+PJ022718	SSSSTQM 	C26H46N8O14S	726.2854	NA	PeJP	NA	NA
+PJ022719	TEEYW 	C34H42N6O12	726.2861	NA	PeJP	NA	NA
+PJ022720	SCQKMM 	C27H50N8O9S3	726.2863	NA	PeJP	NA	NA
+PJ022721	PMMYW 	C35H46N6O7S2	726.287	NA	PeJP	NA	NA
+MJ092205	13,17-Epoxy-3,5,8,14,15-pentahydroxy-7-oxomyrsinolide, 5-Benzoyl, 14-propanoyl, 3,8,15-tri-Ac 	C38H46O14	726.288756	NA	MeJP	NA	NA
+MJ092206	Euphorbia substance SPr5 	C38H46O14	726.288756	NA	MeJP	NA	NA
+PJ022722	GVEEMY 	C31H46N6O12S	726.2895	NA	PeJP	NA	NA
+PJ022723	APMMMF 	C32H50N6O7S3	726.2903	NA	PeJP	NA	NA
+PJ022724	GPCQHW 	C32H42N10O8S	726.2908	NA	PeJP	NA	NA
+PJ022725	GQQEEH 	C28H42N10O13	726.2933	NA	PeJP	NA	NA
+PJ022726	ALMMMM 	C29H54N6O7S4	726.2937	NA	PeJP	NA	NA
+PJ022727	GCNMFR 	C29H46N10O8S2	726.2942	NA	PeJP	NA	NA
+PJ022728	SSSSTCR 	C25H46N10O13S	726.2967	NA	PeJP	NA	NA
+PJ022729	GSSQYW 	C33H42N8O11	726.2973	NA	PeJP	NA	NA
+PJ022730	GGGGGEFF 	C33H42N8O11	726.2974	NA	PeJP	NA	NA
+PJ022731	SCCKMR 	C26H50N10O8S3	726.2976	NA	PeJP	NA	NA
+PJ022732	EEMRY 	C30H46N8O11S	726.3007	NA	PeJP	NA	NA
+PJ022733	PDFYW 	C38H42N6O9	726.3014	NA	PeJP	NA	NA
+PJ022734	PPCHHH 	C31H42N12O7S	726.3021	NA	PeJP	NA	NA
+PJ022735	GSSSSTTT 	C26H46N8O16	726.3032	NA	PeJP	NA	NA
+PJ022736	GSSSKMM 	C27H50N8O11S2	726.3041	NA	PeJP	NA	NA
+PJ022737	GNDEHR 	C27H42N12O12	726.3045	NA	PeJP	NA	NA
+PJ022738	GGGDEHR 	C27H42N12O12	726.3046	NA	PeJP	NA	NA
+PJ022739	VEMYW 	C35H46N6O9S	726.3047	NA	PeJP	NA	NA
+PJ022740	SSLEEY 	C31H46N6O14	726.3072	NA	PeJP	NA	NA
+PJ022741	SPVMMY 	C32H50N6O9S2	726.3081	NA	PeJP	NA	NA
+PJ022742	QQEHW 	C32H42N10O10	726.3086	NA	PeJP	NA	NA
+MJ092207	Centrolobol, 3-O-[?-D-Apiofuranosyl-(1?2)-[?-D-apiofuranosyl-(1?6)]-?-D-glucopyranoside] 	C35H50O16	726.309885	NA	MeJP	NA	NA
+3347	ACE inhibitor	DYGLYP	726.3099	celiac toxic	Inhouse_peptide	NA	peptide
+MJ092208	Sohbumycin 	C31H47ClN8O10	726.310367	NA	MeJP	NA	NA
+MJ092209	Shimofuridin A; 9''-O-Deacyl, 9''-(2,4,7-decatrienoyl)(2E,4E,7Z-) 	C36H46N4O12	726.311222	NA	MeJP	NA	NA
+PJ022743	TTLMMM 	C29H54N6O9S3	726.3115	NA	PeJP	NA	NA
+PJ022744	GSNMRY 	C29H46N10O10S	726.3119	NA	PeJP	NA	NA
+PJ022745	GGGAPTMH 	C29H46N10O10S	726.312	NA	PeJP	NA	NA
+PJ022746	NNFFW 	C37H42N8O8	726.3126	NA	PeJP	NA	NA
+MJ092210	Milliamine C; N1'-Deacyl, N1'-tigloyl, 20-Ac 	C41H46N2O10	726.315245	NA	MeJP	NA	NA
+PJ022747	CQKYW 	C34H46N8O8S	726.3159	NA	PeJP	NA	NA
+PJ022748	GACKYW 	C34H46N8O8S	726.316	NA	PeJP	NA	NA
+PJ022749	STTQQY 	C30H46N8O13	726.3184	NA	PeJP	NA	NA
+PJ022750	SSNKEY 	C30H46N8O13	726.3185	NA	PeJP	NA	NA
+MJ092211	2,2',3,3'-Tetrahydro-3,3',6,6',7,7'-hexamethoxy-4,4'-diphenyl-5,5'-bi-1H-phenalene; 4',4''-Dimethoxy 	C46H46O8	726.319268	NA	MeJP	NA	NA
+MJ092212	2,2',3,3'-Tetrahydro-3,3',7,7',8,8'-hexamethoxy-4,4'-bis(4-methoxyphenyl)-6,6'-bi-1H-phenalene 	C46H46O8	726.319268	NA	MeJP	NA	NA
+PJ022751	GNKMMF 	C31H50N8O8S2	726.3193	NA	PeJP	NA	NA
+PJ022752	NDHRW 	C31H42N12O9	726.3198	NA	PeJP	NA	NA
+PJ022753	PMFFW 	C39H46N6O6S	726.32	NA	PeJP	NA	NA
+PJ022754	SSSSTKM 	C27H50N8O13S	726.3218	NA	PeJP	NA	NA
+PJ022755	GPVEYY 	C35H46N6O11	726.3225	NA	PeJP	NA	NA
+PJ022756	SCKKMM 	C28H54N8O8S3	726.3227	NA	PeJP	NA	NA
+PJ022757	SPCQHR 	C28H46N12O9S	726.3232	NA	PeJP	NA	NA
+PJ022758	LMMFW 	C36H50N6O6S2	726.3234	NA	PeJP	NA	NA
+PJ022759	AQHWW 	C36H42N10O7	726.3238	NA	PeJP	NA	NA
+PJ022760	ATLEMY 	C32H50N6O11S	726.3258	NA	PeJP	NA	NA
+PJ022761	TTLDMF 	C32H50N6O11S	726.3259	NA	PeJP	NA	NA
+PJ022762	GPCKHW 	C33H46N10O7S	726.3272	NA	PeJP	NA	NA
+PJ022763	SSSQRY 	C29H46N10O12	726.3297	NA	PeJP	NA	NA
+PJ022764	ACCKFR 	C30H50N10O7S2	726.3306	NA	PeJP	NA	NA
+PJ022765	GSSKYW 	C34H46N8O10	726.3337	NA	PeJP	NA	NA
+PJ022766	GTQKMY 	C31H50N8O10S	726.3371	NA	PeJP	NA	NA
+PJ022767	PVYYW 	C39H46N6O8	726.3377	NA	PeJP	NA	NA
+PJ022768	MHHFR 	C32H46N12O6S	726.3384	NA	PeJP	NA	NA
+PJ022769	GTQEHR 	C28H46N12O11	726.3409	NA	PeJP	NA	NA
+PJ022770	GGGGGGTKH 	C28H46N12O11	726.341	NA	PeJP	NA	NA
+PJ022771	GPLMFY 	C36H50N6O8S	726.3411	NA	PeJP	NA	NA
+PJ022772	TTTLEY 	C32H50N6O13	726.3436	NA	PeJP	NA	NA
+PJ022773	GLLMMY 	C33H54N6O8S2	726.3445	NA	PeJP	NA	NA
+PJ022774	QKEHW 	C33H46N10O9	726.3449	NA	PeJP	NA	NA
+PJ022775	GPPDRW 	C33H46N10O9	726.345	NA	PeJP	NA	NA
+MJ092213	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-6-O-acetyl-?-D-allopyranoside] 	C36H54O15	726.346271	NA	MeJP	NA	NA
+MJ092214	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C36H54O15	726.346271	NA	MeJP	NA	NA
+MJ092215	Penstriatoside 	C36H54O15	726.346271	NA	MeJP	NA	NA
+PJ022776	GTCKRY 	C30H50N10O9S	726.3483	NA	PeJP	NA	NA
+PJ022777	AAPPWW 	C38H46N8O7	726.349	NA	PeJP	NA	NA
+C09323	Adiantifoline	C42H50N2O9	726.3516	NA	KEGG	NA	NA
+MJ092216	Adiantifoline 	C42H50N2O9	726.351631	NA	MeJP	NA	NA
+MJ092217	Huangshanine 	C42H50N2O9	726.351631	NA	MeJP	NA	NA
+MJ092218	Przewalstine 	C42H50N2O9	726.351631	NA	MeJP	NA	NA
+PJ022778	GSDHRR 	C27H46N14O10	726.3522	NA	PeJP	NA	NA
+PJ022779	CKKYW 	C35H50N8O7S	726.3523	NA	PeJP	NA	NA
+PJ022780	PPPCKW 	C35H50N8O7S	726.3524	NA	PeJP	NA	NA
+PJ022781	SSDKKY 	C31H50N8O12	726.3548	NA	PeJP	NA	NA
+PJ022782	GAPPKEE 	C31H50N8O12	726.3549	NA	PeJP	NA	NA
+PJ022783	ACKKMF 	C32H54N8O7S2	726.3557	NA	PeJP	NA	NA
+PJ022784	TQHRW 	C32H46N12O8	726.3562	NA	PeJP	NA	NA
+PJ022785	APTLYY 	C36H50N6O10	726.3589	NA	PeJP	NA	NA
+PJ022786	GVQMHR 	C29H50N12O8S	726.3596	NA	PeJP	NA	NA
+PJ022787	AKHWW 	C37H46N10O6	726.3602	NA	PeJP	NA	NA
+MJ092219	Heudelottin C; 11-Formyl 	C40H54O12	726.361527	NA	MeJP	NA	NA
+MJ092220	Nimbolidin A; 1,7-Dideacyl, 1-tigloyl, 7-(2-methylpropanoyl) 	C40H54O12	726.361527	NA	MeJP	NA	NA
+PJ022788	STLLMY 	C33H54N6O10S	726.3622	NA	PeJP	NA	NA
+PJ022789	SSSKRY 	C30H50N10O11	726.3661	NA	PeJP	NA	NA
+PJ022790	APPKEW 	C35H50N8O9	726.3701	NA	PeJP	NA	NA
+PJ022791	QMHRR 	C28H50N14O7S	726.3708	NA	PeJP	NA	NA
+PJ022792	GTKKMY 	C32H54N8O9S	726.3735	NA	PeJP	NA	NA
+PJ022793	VLFYW 	C40H50N6O7	726.3741	NA	PeJP	NA	NA
+PJ022794	SPPDRR 	C29H50N12O10	726.3773	NA	PeJP	NA	NA
+PJ022795	GLLMFF 	C37H54N6O7S	726.3775	NA	PeJP	NA	NA
+PJ022796	APPTRW 	C34H50N10O8	726.3813	NA	PeJP	NA	NA
+PJ022797	CHRRR 	C27H50N16O6S	726.382	NA	PeJP	NA	NA
+MJ092221	3,5,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-fucopyranoside] 	C37H58O14	726.382656	NA	MeJP	NA	NA
+MJ092222	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Adipoyl-L-argininoyl), 16-Ac 	C38H54N4O10	726.383993	NA	MeJP	NA	NA
+PJ022798	PPVQMR 	C31H54N10O8S	726.3847	NA	PeJP	NA	NA
+PJ022799	ASTHRR 	C28H50N14O9	726.3885	NA	PeJP	NA	NA
+PJ022800	GTTHRR 	C28H50N14O9	726.3886	NA	PeJP	NA	NA
+PJ022801	STTKKY 	C32H54N8O11	726.3912	NA	PeJP	NA	NA
+PJ022802	AAAAPVVE 	C32H54N8O11	726.3913	NA	PeJP	NA	NA
+PJ022803	TKHRW 	C33H50N12O7	726.3926	NA	PeJP	NA	NA
+PJ022804	ATLLFY 	C37H54N6O9	726.3952	NA	PeJP	NA	NA
+PJ022805	GVLLYY 	C37H54N6O9	726.3953	NA	PeJP	NA	NA
+PJ022806	ACLKHR 	C30H54N12O7S	726.3959	NA	PeJP	NA	NA
+PJ022807	APPMRR 	C30H54N12O7S	726.396	NA	PeJP	NA	NA
+PJ022808	PPTKER 	C31H54N10O10	726.4025	NA	PeJP	NA	NA
+MJ092223	11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C34H62O16	726.403785	NA	MeJP	NA	NA
+PJ022809	SPPLKW 	C36H54N8O8	726.4065	NA	PeJP	NA	NA
+PJ022810	KMHRR 	C29H54N14O6S	726.4072	NA	PeJP	NA	NA
+PJ022811	TLLLMH 	C33H58N8O8S	726.4099	NA	PeJP	NA	NA
+PJ022812	GPLERR 	C30H54N12O9	726.4137	NA	PeJP	NA	NA
+PJ022813	GPVLRW 	C35H54N10O7	726.4177	NA	PeJP	NA	NA
+MJ092224	Cholesta-5,22-diene-2,3,4,7-tetrol, 4-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] 	C38H62O13	726.419042	NA	MeJP	NA	NA
+MJ092225	Cholesta-5,24-diene-2,3,4,7-tetrol, 4-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] 	C38H62O13	726.419042	NA	MeJP	NA	NA
+MJ092226	Dimorphoside A 	C38H62O13	726.419042	NA	MeJP	NA	NA
+MJ092227	Spirostane-3,6,23-triol, 6-O-[?-D-Xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] 	C38H62O13	726.419042	NA	MeJP	NA	NA
+PJ022814	PPVKMR 	C32H58N10O7S	726.4211	NA	PeJP	NA	NA
+PJ022815	GPNKRR 	C29H54N14O8	726.4249	NA	PeJP	NA	NA
+PJ022816	GGGPKRR 	C29H54N14O8	726.425	NA	PeJP	NA	NA
+PJ022817	PLLQKE 	C33H58N8O10	726.4276	NA	PeJP	NA	NA
+PJ022818	PLRRW 	C34H54N12O6	726.429	NA	PeJP	NA	NA
+3016	kinases inhibitor	KKALRRQEAVAAL	726.437	MH2+	Inhouse_peptide	NA	peptide
+PJ022819	PVVKER 	C32H58N10O9	726.4389	NA	PeJP	NA	NA
+PJ022820	APLLKW 	C37H58N8O7	726.4429	NA	PeJP	NA	NA
+MJ092228	3,3',4,4'-Tetradehydro-1',2'-dihydro-1'-hydroxy-?,?-caroten-2-one; O-?-D-Glucopyranoside 	C46H62O7	726.449554	NA	MeJP	NA	NA
+PJ022821	SPVLRR 	C31H58N12O8	726.4501	NA	PeJP	NA	NA
+MJ092229	2-[(2-Amino-4-thiazolyl)methyl]-N4-(cyclohexylmethyl)-N1-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N4-[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-2-oxoethyl]butanediamide 	C39H62N6O5S	726.450239	NA	MeJP	NA	NA
+MJ092230	6,14,24,32,34-Pentahydroxy-4,8,12,16,22,26,30-nonatriacontaneheptone 	C39H66O12	726.455427	NA	MeJP	NA	NA
+MJ092231	Cholest-5-ene-3,16,22-triol, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H66O12	726.455427	NA	MeJP	NA	NA
+PJ022822	PLLKKE 	C34H62N8O9	726.464	NA	PeJP	NA	NA
+MJ092232	Amphidinolide M 	C43H66O9	726.470683	NA	MeJP	NA	NA
+PJ022823	PTLLKR 	C33H62N10O8	726.4752	NA	PeJP	NA	NA
+PJ022824	GGVLLLR 	C33H62N10O8	726.4753	NA	PeJP	NA	NA
+PJ022825	GLLLRR 	C32H62N12O7	726.4865	NA	PeJP	NA	NA
+PJ022826	LLLLQK 	C35H66N8O8	726.5004	NA	PeJP	NA	NA
+PJ022827	VVLLKR 	C34H66N10O7	726.5116	NA	PeJP	NA	NA
+MJ092233	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(8E-hexadecenoate), 3-O-?-D-Glucopyranoside 	C41H74O10	726.528198	NA	MeJP	NA	NA
+MJ092234	1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z-octadecadienoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) 	C41H74O10	726.528198	NA	MeJP	NA	NA
+PJ022828	LLLLKK 	C36H70N8O7	726.5368	NA	PeJP	NA	NA
+C17569	Ubiquinone-8	C49H74O4	726.5587	NA	KEGG	NA	NA
+MJ092235	Coenzyme Q; Coenzyme Q8 	C49H74O4	726.55871	NA	MeJP	NA	NA
+MetaCyc04081	ubiquinone-8 [ubiquinone(9);coenzyme-Q8;Q-9;]	C49H74O4	726.558711	1339-63-5	metacyc	NA	NA
+HMDB07529	DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07558	DG(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07586	DG(20:5(5Z,8Z,11Z,14Z,17Z)/24:0/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07612	DG(22:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07613	DG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07640	DG(22:1(13Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07696	DG(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07724	DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:0/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07753	DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07810	DG(24:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07837	DG(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+HMDB07838	DG(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)/0:0)	C47H82O5	726.616211	NA	HMDB2010	NA	NA
+MJ092236	25,26-Epoxy-9,43-henpentacontadiene 	C51H98O	726.761767	NA	MeJP	NA	NA
+3881	temporin A	FLPLIGRVLSGILG	726.94395	MH2+	Inhouse_peptide	NA	peptide
+PJ022829	GCCCCCH 	C23H37N9O8S5	727.1369	NA	PeJP	NA	NA
+PJ022830	PPCCCCC 	C25H41N7O8S5	727.162	NA	PeJP	NA	NA
+PJ022831	GCCCNND 	C23H37N9O12S3	727.1724	NA	PeJP	NA	NA
+PJ022832	GSCCDDE 	C24H37N7O15S2	727.1789	NA	PeJP	NA	NA
+PJ022833	GPCCCDM 	C25H41N7O10S4	727.1798	NA	PeJP	NA	NA
+FL7AACGL0032	Cyanidin 3-(6''-p-coumarylsambubioside)	C35H35O17	727.18742	162972-64-7	knapsack	NA	NA
+PJ022834	SCCDDW 	C28H37N7O12S2	727.1942	NA	PeJP	NA	NA
+PJ022835	SSSCDDD 	C24H37N7O17S	727.1967	NA	PeJP	NA	NA
+PJ022836	CNDDMM 	C25H41N7O12S3	727.1976	NA	PeJP	NA	NA
+MJ092237	Dactylocycline C 	C31H38ClN3O15	727.199145	NA	MeJP	NA	NA
+FL7AAAGL0011	Pelargonidin 3-sambubioside-5-glucoside	C32H39O19	727.20855	-	knapsack	NA	NA
+FL7AACGL0015	Cyanidin 3-(2G-xylosylrutinoside)	C32H39O19	727.20855	38226-79-8	knapsack	NA	NA
+PJ022837	CCCDER 	C24H41N9O11S3	727.2088	NA	PeJP	NA	NA
+PJ022838	CNDDDF 	C28H37N7O14S	727.212	NA	PeJP	NA	NA
+PJ022839	GCCEMW 	C29H41N7O9S3	727.2128	NA	PeJP	NA	NA
+PJ022840	GSSCDEM 	C25H41N7O14S2	727.2153	NA	PeJP	NA	NA
+PJ022841	GSPCCMM 	C26H45N7O9S4	727.2162	NA	PeJP	NA	NA
+PJ022842	CCNDHH 	C26H37N11O10S2	727.2167	NA	PeJP	NA	NA
+C04660	3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate	C21H43N7O17P2	727.2191	NA	KEGG	NA	NA
+C04709	3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate	C21H43N7O17P2	727.2191	NA	KEGG	NA	NA
+PJ022843	SSSCCNQ 	C24H41N9O13S2	727.2265	NA	PeJP	NA	NA
+PJ022844	GGSSSCCQ 	C24H41N9O13S2	727.2266	NA	PeJP	NA	NA
+PJ022845	CCMWW 	C33H41N7O6S3	727.2281	NA	PeJP	NA	NA
+PJ022846	SNDDDY 	C28H37N7O16	727.2297	NA	PeJP	NA	NA
+PJ022847	SSCDMW 	C29H41N7O11S2	727.2306	NA	PeJP	NA	NA
+PJ022848	SSSSDDM 	C25H41N7O16S	727.2331	NA	PeJP	NA	NA
+PJ022849	SNDMMM 	C26H45N7O11S3	727.2339	NA	PeJP	NA	NA
+PJ022850	GGTCEMM 	C26H45N7O11S3	727.234	NA	PeJP	NA	NA
+PJ022851	CCNNQF 	C28H41N9O10S2	727.2418	NA	PeJP	NA	NA
+PJ022852	GSSSSSCN 	C24H41N9O15S	727.2443	NA	PeJP	NA	NA
+PJ022853	SCCEMR 	C25H45N9O10S3	727.2452	NA	PeJP	NA	NA
+PJ022854	GPCCYW 	C33H41N7O8S2	727.2458	NA	PeJP	NA	NA
+PJ022855	GNDEMY 	C29H41N7O13S	727.2483	NA	PeJP	NA	NA
+PJ022856	GTCMMW 	C30H45N7O8S3	727.2492	NA	PeJP	NA	NA
+PJ022857	GSSSEMM 	C26H45N7O13S2	727.2517	NA	PeJP	NA	NA
+PJ022858	NNNDDH 	C26H37N11O14	727.2522	NA	PeJP	NA	NA
+PJ022859	GQMMMM 	C27H49N7O8S4	727.2526	NA	PeJP	NA	NA
+PJ022860	SCNMHH 	C27H41N11O9S2	727.253	NA	PeJP	NA	NA
+PJ022861	GGSCMHH 	C27H41N11O9S2	727.2531	NA	PeJP	NA	NA
+PJ022862	GCDDRY 	C28H41N9O12S	727.2596	NA	PeJP	NA	NA
+PJ022863	PCCCFR 	C29H45N9O7S3	727.2604	NA	PeJP	NA	NA
+PJ022864	SSSCCNK 	C25H45N9O12S2	727.2629	NA	PeJP	NA	NA
+PJ022865	NDMYW 	C33H41N7O10S	727.2636	NA	PeJP	NA	NA
+PJ022866	GCMMMR 	C26H49N9O7S4	727.2638	NA	PeJP	NA	NA
+PJ022867	SSNEEY 	C29H41N7O15	727.2661	NA	PeJP	NA	NA
+PJ022868	SSSMMW 	C30H45N7O10S2	727.2669	NA	PeJP	NA	NA
+PJ022869	PTCNMY 	C30H45N7O10S2	727.267	NA	PeJP	NA	NA
+PJ022870	STTTTCD 	C26H45N7O15S	727.2694	NA	PeJP	NA	NA
+PJ022871	SSSSTEM 	C26H45N7O15S	727.2695	NA	PeJP	NA	NA
+PJ022872	STQMMM 	C27H49N7O10S3	727.2703	NA	PeJP	NA	NA
+PJ022873	GSSTCHH 	C27H41N11O11S	727.2708	NA	PeJP	NA	NA
+PJ022874	GPCEHW 	C32H41N9O9S	727.2748	NA	PeJP	NA	NA
+PJ022875	GSSSNNY 	C28H41N9O14	727.2773	NA	PeJP	NA	NA
+PJ022876	GGGGGPPDD 	C28H41N9O14	727.2774	NA	PeJP	NA	NA
+PJ022877	SPCCRY 	C29H45N9O9S2	727.2782	NA	PeJP	NA	NA
+PJ022878	ACYWW 	C37H41N7O7S	727.2788	NA	PeJP	NA	NA
+PJ022879	GSSEYW 	C33H41N7O12	727.2813	NA	PeJP	NA	NA
+PJ022880	GGGPDYY 	C33H41N7O12	727.2814	NA	PeJP	NA	NA
+PJ022881	STCMMR 	C26H49N9O9S3	727.2816	NA	PeJP	NA	NA
+PJ022882	NMMFW 	C34H45N7O7S2	727.2822	NA	PeJP	NA	NA
+MJ092238	Rifamycin S; 3,31-Dihydroxy 	C37H45NO14	727.284005	NA	MeJP	NA	NA
+MJ092239	Sulfurmycin C 	C37H45NO14	727.284005	NA	MeJP	NA	NA
+PJ022883	GTQEMY 	C30H45N7O12S	727.2847	NA	PeJP	NA	NA
+PJ022884	GYYYY 	C38H41N5O10	727.2854	NA	PeJP	NA	NA
+PJ022885	PCCKMF 	C31H49N7O7S3	727.2856	NA	PeJP	NA	NA
+PJ022886	GCQHHF 	C31H41N11O8S	727.2861	NA	PeJP	NA	NA
+PJ022887	GSTTTMM 	C27H49N7O12S2	727.2881	NA	PeJP	NA	NA
+PJ022888	GDDEHR 	C27H41N11O13	727.2886	NA	PeJP	NA	NA
+PJ022889	GKMMMM 	C28H53N7O7S4	727.289	NA	PeJP	NA	NA
+PJ022890	TCCKHH 	C28H45N11O8S2	727.2894	NA	PeJP	NA	NA
+PJ022891	PCHWW 	C36H41N9O6S	727.2901	NA	PeJP	NA	NA
+PJ022892	QEEHW 	C32H41N9O11	727.2926	NA	PeJP	NA	NA
+PJ022893	ASCERY 	C29H45N9O11S	727.2959	NA	PeJP	NA	NA
+PJ022894	GSDMRY 	C29H45N9O11S	727.296	NA	PeJP	NA	NA
+PJ022895	SSYWW 	C37H41N7O9	727.2966	NA	PeJP	NA	NA
+PJ022896	TQMYW 	C34H45N7O9S	727.3	NA	PeJP	NA	NA
+PJ022897	SSDKEY 	C30H45N7O14	727.3025	NA	PeJP	NA	NA
+PJ022898	GVQMMY 	C31H49N7O9S2	727.3033	NA	PeJP	NA	NA
+PJ022899	GGGLMMY 	C31H49N7O9S2	727.3034	NA	PeJP	NA	NA
+PJ022900	DDHRW 	C31H41N11O10	727.3038	NA	PeJP	NA	NA
+PJ022901	SSTTTTM 	C27H49N7O14S	727.3058	NA	PeJP	NA	NA
+PJ022902	STKMMM 	C28H53N7O9S3	727.3067	NA	PeJP	NA	NA
+PJ022903	SPCEHR 	C28H45N11O10S	727.3072	NA	PeJP	NA	NA
+PJ022904	AEHWW 	C36H41N9O8	727.3078	NA	PeJP	NA	NA
+PJ022905	TCRYW 	C33H45N9O8S	727.3112	NA	PeJP	NA	NA
+PJ022906	SSSERY 	C29H45N9O13	727.3137	NA	PeJP	NA	NA
+PJ022907	QMMRY 	C30H49N9O8S2	727.3146	NA	PeJP	NA	NA
+PJ022908	SPNHHH 	C30H41N13O9	727.3151	NA	PeJP	NA	NA
+PJ022909	MHFFF 	C38H45N7O6S	727.3152	NA	PeJP	NA	NA
+PJ022910	GTTTYW 	C34H45N7O11	727.3177	NA	PeJP	NA	NA
+PJ022911	GNNMHR 	C27H45N13O9S	727.3184	NA	PeJP	NA	NA
+PJ022912	GTKEMY 	C31H49N7O11S	727.3211	NA	PeJP	NA	NA
+PJ022913	GCKHHF 	C32H45N11O7S	727.3225	NA	PeJP	NA	NA
+PJ022914	ASEEHR 	C28H45N11O12	727.3249	NA	PeJP	NA	NA
+PJ022915	GTEEHR 	C28H45N11O12	727.325	NA	PeJP	NA	NA
+PJ022916	CMRRY 	C29H49N11O7S2	727.3258	NA	PeJP	NA	NA
+PJ022917	KEEHW 	C33H45N9O10	727.329	NA	PeJP	NA	NA
+PJ022918	GTTMRY 	C30H49N9O10S	727.3323	NA	PeJP	NA	NA
+PJ022919	GGVVEMH 	C30H49N9O10S	727.3324	NA	PeJP	NA	NA
+PJ022920	VNFYW 	C38H45N7O8	727.333	NA	PeJP	NA	NA
+PJ022921	SSNQHR 	C27H45N13O11	727.3362	NA	PeJP	NA	NA
+PJ022922	TKMYW 	C35H49N7O8S	727.3363	NA	PeJP	NA	NA
+PJ022923	PPPTMW 	C35H49N7O8S	727.3364	NA	PeJP	NA	NA
+PJ022924	STTKEY 	C31H49N7O13	727.3388	NA	PeJP	NA	NA
+PJ022925	TTTDKY 	C31H49N7O13	727.3389	NA	PeJP	NA	NA
+PJ022926	GVKMMY 	C32H53N7O8S2	727.3397	NA	PeJP	NA	NA
+PJ022927	TEHRW 	C32H45N11O9	727.3402	NA	PeJP	NA	NA
+PJ022928	GVEMHR 	C29H49N11O9S	727.3436	NA	PeJP	NA	NA
+PJ022929	SLHWW 	C37H45N9O7	727.3442	NA	PeJP	NA	NA
+MJ092240	Antibiotic LL-BM 547? 	C26H45N15O10	727.347382	NA	MeJP	NA	NA
+PJ022930	AALMHW 	C34H49N9O7S	727.3476	NA	PeJP	NA	NA
+PJ022931	STTTRY 	C30H49N9O12	727.3501	NA	PeJP	NA	NA
+PJ022932	KMMRY 	C31H53N9O7S2	727.351	NA	PeJP	NA	NA
+PJ022933	GLQHHH 	C31H45N13O8	727.3514	NA	PeJP	NA	NA
+PJ022934	GGALHHH 	C31H45N13O8	727.3515	NA	PeJP	NA	NA
+3357	ACE inhibitor	GYALPHA	727.352	celiac toxic	Inhouse_peptide	NA	peptide
+PJ022935	SPPLEW 	C35H49N7O10	727.3541	NA	PeJP	NA	NA
+PJ022936	EMHRR 	C28H49N13O8S	727.3548	NA	PeJP	NA	NA
+3606	NA	YPFGFV~	727.356	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ022937	SSLKMY 	C32H53N7O10S	727.3575	NA	PeJP	NA	NA
+PJ022938	VMHRW 	C33H49N11O6S	727.3588	NA	PeJP	NA	NA
+PJ022939	SSLEHR 	C29H49N11O11	727.3613	NA	PeJP	NA	NA
+PJ022940	GGGGPVER 	C29H49N11O11	727.3614	NA	PeJP	NA	NA
+PJ022941	AAHHHR 	C30H45N15O7	727.3627	NA	PeJP	NA	NA
+PJ022942	ATTLHW 	C34H49N9O9	727.3653	NA	PeJP	NA	NA
+PJ022943	GGSPPKW 	C34H49N9O9	727.3654	NA	PeJP	NA	NA
+PJ022944	PPVEMR 	C31H53N9O9S	727.3687	NA	PeJP	NA	NA
+PJ022945	TKFFW 	C39H49N7O7	727.3694	NA	PeJP	NA	NA
+PJ022946	GPNERR 	C28H49N13O10	727.3726	NA	PeJP	NA	NA
+PJ022947	PPVVMW 	C36H53N7O7S	727.3728	NA	PeJP	NA	NA
+PJ022948	APPTTLE 	C32H53N7O12	727.3752	NA	PeJP	NA	NA
+PJ022949	PLLQEE 	C32H53N7O12	727.3753	NA	PeJP	NA	NA
+PJ022950	AAPQRW 	C33H49N11O8	727.3766	NA	PeJP	NA	NA
+MJ092241	Antibiotic RP 9971 	C36H57NO14	727.377905	NA	MeJP	NA	NA
+PJ022951	ATLMHR 	C30H53N11O8S	727.38	NA	PeJP	NA	NA
+PJ022952	KMFFR 	C35H53N9O6S	727.384	NA	PeJP	NA	NA
+MJ092242	Antrimycin; Antrimycin D 	C31H53N9O11	727.386453	NA	MeJP	NA	NA
+PJ022953	PVVEER 	C31H53N9O11	727.3865	NA	PeJP	NA	NA
+PJ022954	PNRRW 	C32H49N13O7	727.3878	NA	PeJP	NA	NA
+MJ092243	Citrusin III 	C36H53N7O9	727.390476	NA	MeJP	NA	NA
+PJ022955	APLLEW 	C36H53N7O9	727.3905	NA	PeJP	NA	NA
+PJ022956	GCKKHR 	C29H53N13O7S	727.3912	NA	PeJP	NA	NA
+PJ022957	GPPTLLM 	C33H57N7O9S	727.3939	NA	PeJP	NA	NA
+PJ022958	TTTLHR 	C30H53N11O10	727.3977	NA	PeJP	NA	NA
+PJ022959	GPLQKW 	C35H53N9O8	727.4017	NA	PeJP	NA	NA
+PJ022960	GGAPLKW 	C35H53N9O8	727.4018	NA	PeJP	NA	NA
+PJ022961	SLLKMH 	C32H57N9O8S	727.4051	NA	PeJP	NA	NA
+3004	kinases inhibitor	KKAARRQEAVDAL	727.40845	MH2+	Inhouse_peptide	NA	peptide
+3014	kinases inhibitor	KKALRRQEAGDAL	727.40845	MH2+	Inhouse_peptide	NA	peptide
+3025	kinases inhibitor	KKALRRQEAVDAA	727.40845	MH2+	Inhouse_peptide	NA	peptide
+PJ022962	GPDKRR 	C29H53N13O9	727.409	NA	PeJP	NA	NA
+PJ022963	PLLKEE 	C33H57N7O11	727.4116	NA	PeJP	NA	NA
+PJ022964	AAPKRW 	C34H53N11O7	727.413	NA	PeJP	NA	NA
+MJ092244	Mycinamycin II 	C37H61NO13	727.414291	NA	MeJP	NA	NA
+C15680	Mycinamicin II	C37H61NO13	727.4143	NA	KEGG	NA	NA
+PJ022965	PPCKKR 	C31H57N11O7S	727.4164	NA	PeJP	NA	NA
+PJ022966	GSPRRR 	C28H53N15O8	727.4202	NA	PeJP	NA	NA
+PJ022967	PTLLER 	C32H57N9O10	727.4229	NA	PeJP	NA	NA
+PJ022968	LHFRR 	C33H53N13O6	727.4242	NA	PeJP	NA	NA
+MJ092245	Heterophyllin A 	C37H57N7O8	727.426861	NA	MeJP	NA	NA
+PJ022969	SPLLLW 	C37H57N7O8	727.4269	NA	PeJP	NA	NA
+PJ022970	AAPLLLM 	C34H61N7O8S	727.4303	NA	PeJP	NA	NA
+PJ022971	APKKER 	C31H57N11O9	727.4341	NA	PeJP	NA	NA
+PJ022972	GPLKKW 	C36H57N9O7	727.4381	NA	PeJP	NA	NA
+PJ022973	PVLLMR 	C33H61N9O7S	727.4415	NA	PeJP	NA	NA
+HMDB12348	PS(14:1(9Z)/18:3(9Z,12Z,15Z))	C38H66NO10P	727.442444	NA	HMDB2010	NA	NA
+HMDB12408	PS(18:3(9Z,12Z,15Z)/14:1(9Z))	C38H66NO10P	727.442444	NA	HMDB2010	NA	NA
+PJ022974	APTKRR 	C30H57N13O8	727.4453	NA	PeJP	NA	NA
+PJ022975	GGGLLRR 	C30H57N13O8	727.4454	NA	PeJP	NA	NA
+PJ022976	LLLLQE 	C34H61N7O10	727.448	NA	PeJP	NA	NA
+MJ092246	Antibiotic YT 3927; 20-Alcohol 	C38H65NO12	727.450676	NA	MeJP	NA	NA
+MJ092247	Tylosin; 23-O-Deglycosyl, 20-deoxo 	C38H65NO12	727.450676	NA	MeJP	NA	NA
+PJ022977	LQRRR 	C29H57N15O7	727.4566	NA	PeJP	NA	NA
+PJ022978	VVLLER 	C33H61N9O9	727.4593	NA	PeJP	NA	NA
+PJ022979	ALLLLW 	C38H61N7O7	727.4633	NA	PeJP	NA	NA
+PJ022980	SPLKKR 	C32H61N11O8	727.4705	NA	PeJP	NA	NA
+PJ022981	GVLKRR 	C31H61N13O7	727.4817	NA	PeJP	NA	NA
+PJ022982	LLLLKE 	C35H65N7O9	727.4844	NA	PeJP	NA	NA
+PJ022983	LKRRR 	C30H61N15O6	727.493	NA	PeJP	NA	NA
+PJ022984	TLLLLR 	C34H65N9O8	727.4956	NA	PeJP	NA	NA
+PJ022985	GGLLLKK 	C34H65N9O8	727.4957	NA	PeJP	NA	NA
+PJ022986	ALLKKR 	C33H65N11O7	727.5069	NA	PeJP	NA	NA
+MJ092248	Pepstatins; Pepstatin G 	C37H69N5O9	727.509528	NA	MeJP	NA	NA
+MJ092249	Pepstatins; Pepstatin H 	C37H69N5O9	727.509528	NA	MeJP	NA	NA
+HMDB07875	PC(14:0/18:3(6Z,9Z,12Z))	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB07876	PC(14:0/18:3(9Z,12Z,15Z))	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB07907	PC(14:1(9Z)/18:2(9Z,12Z))	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB08131	PC(18:2(9Z,12Z)/14:1(9Z))	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB08163	PC(18:3(6Z,9Z,12Z)/14:0)	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB08196	PC(18:3(9Z,12Z,15Z)/14:0)	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB08902	PE(15:0/20:3(5Z,8Z,11Z))	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB08903	PE(15:0/20:3(8Z,11Z,14Z))	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB09318	PE(20:3(5Z,8Z,11Z)/15:0)	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+HMDB09351	PE(20:3(8Z,11Z,14Z)/15:0)	C40H74NO8P	727.515198	NA	HMDB2010	NA	NA
+PJ022987	VLLKKK 	C35H69N9O7	727.532	NA	PeJP	NA	NA
+HMDB09050	PE(18:1(11Z)/P-18:1(11Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB09051	PE(18:1(11Z)/P-18:1(9Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB09083	PE(18:1(9Z)/P-18:1(11Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB09084	PE(18:1(9Z)/P-18:1(9Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB09115	PE(18:2(9Z,12Z)/P-18:0)	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB09312	PE(20:2(11Z,14Z)/P-16:0)	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB11349	PE(P-16:0/20:2(11Z,14Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB11376	PE(P-18:0/18:2(9Z,12Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB11407	PE(P-18:1(11Z)/18:1(11Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB11408	PE(P-18:1(11Z)/18:1(9Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB11440	PE(P-18:1(9Z)/18:1(11Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+HMDB11441	PE(P-18:1(9Z)/18:1(9Z))	C41H78NO7P	727.551575	NA	HMDB2010	NA	NA
+MJ092250	Candicin 	C41H77NO9	727.559833	NA	MeJP	NA	NA
+EUR1040	SM(d18:0/16:0) [M+Na]+	C39H82N2O6P	727.572997	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1040	SM(d18:0/16:0) [M+Na]+	C39H82N2O6P	727.572997	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1040	SM(d18:0/16:0) [M+Na]+	C39H82N2O6P	727.572997	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1040	SM(d18:0/16:0) [M+Na]+	C39H82N2O6P	727.572997	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10705	CerP(d18:1/24:1(15Z))	C42H82NO6P	727.587952	NA	HMDB2010	NA	NA
+HMDB04972	Glucosylceramide (d18:1/18:0)	C42H81NO8	727.59619	http://www.hmdb.ca/metabolites/HMDB04972	HMDB	NA	NA
+HMDB04972	Glucosylceramide (d18:1/18:0)	C42H81NO8	727.59619	HMDB04972	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04972	Glucosylceramide (d18:1/18:0)	C42H81NO8	727.596191	NA	HMDB2010	NA	NA
+HMDB10709	Galactosylceramide (d18:1/18:0)	C42H81NO8	727.596191	NA	HMDB2010	NA	NA
+MJ092251	2-Amino-4-octadecene-1,3-diol, N-Octadecanoyl, 1-O-?-D-galactopyranoside 	C42H81NO8	727.596218	NA	MeJP	NA	NA
+7433	coeliac toxic peptide	QLQPFPEPQLPY	727.8615	MH2+	Inhouse_peptide	NA	peptide
+7434	coeliac toxic peptide	QLQPFPQPELPY	727.8615	MH2+	Inhouse_peptide	NA	peptide
+MJ092252	Chaetocin B 	C30H28N6O6S5	728.067386	NA	MeJP	NA	NA
+MJ092253	Melinacidin IV 	C30H28N6O8S4	728.085144	NA	MeJP	NA	NA
+MJ092254	?-Naphthocyclinone chlorohydrin 	C35H33ClO15	728.150798	NA	MeJP	NA	NA
+PJ022988	GCCCNDD 	C23H36N8O13S3	728.1564	NA	PeJP	NA	NA
+MJ092255	Rhodonocardin A; De-O12b-rhodinosyl 	C31H36O18S	728.162235	NA	MeJP	NA	NA
+MJ092256	Floribundone 2; 10-Oxo, 8-O-?-D-glucopyranoside 	C38H32O15	728.17412	NA	MeJP	NA	NA
+PJ022989	SPCCCCN 	C24H40N8O10S4	728.175	NA	PeJP	NA	NA
+PJ022990	GGSPCCCC 	C24H40N8O10S4	728.1751	NA	PeJP	NA	NA
+FL5FACGS0040	Primflaside	C31H36O20	728.17999	38424-92-9	knapsack	NA	NA
+MJ092257	2',4',5,5',7-Pentahydroxyflavone; 7-O-(Arabinosylxylosylglucoside) 	C31H36O20	728.179993	NA	MeJP	NA	NA
+MJ092258	3,3',4',5,7-Pentahydroxyflavone; 7-O-[D-Xylosyl-(1??)-?-D-glucopyranoside], 3-O-D-xyloside 	C31H36O20	728.179993	NA	MeJP	NA	NA
+MJ092259	Isoquercitrin; 4''-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinofuranosyl] 	C31H36O20	728.179993	NA	MeJP	NA	NA
+MJ092260	Quercimeritrin; 3-O-[Xylosyl-(1??)-xyloside] 	C31H36O20	728.179993	NA	MeJP	NA	NA
+PJ022991	CDDDMM 	C25H40N6O13S3	728.1816	NA	PeJP	NA	NA
+PJ022992	GSCCNDM 	C24H40N8O12S3	728.1928	NA	PeJP	NA	NA
+PJ022993	CDDDDF 	C28H36N6O15S	728.196	NA	PeJP	NA	NA
+PJ022994	CCDDHH 	C26H36N10O11S2	728.2007	NA	PeJP	NA	NA
+PJ022995	SCCCQW 	C28H40N8O9S3	728.2081	NA	PeJP	NA	NA
+PJ022996	SSSCCNE 	C24H40N8O14S2	728.2106	NA	PeJP	NA	NA
+PJ022997	CCNQMM 	C25H44N8O9S4	728.2114	NA	PeJP	NA	NA
+PJ022998	GGGACCMM 	C25H44N8O9S4	728.2115	NA	PeJP	NA	NA
+PJ022999	SDDDDY 	C28H36N6O17	728.2137	NA	PeJP	NA	NA
+PJ023000	PCCDEY 	C29H40N6O12S2	728.2146	NA	PeJP	NA	NA
+FL2FADGS0004	Viscumneoside V	C32H40O19	728.21637	119016-92-1	knapsack	NA	NA
+MJ092261	3',4',5,7-Tetrahydroxyflavanone, 3'-Me ether, 7-O-[?-D-apiofuranosyl-(1?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C32H40O19	728.216379	NA	MeJP	NA	NA
+C17465	Parishin B	C32H40O19	728.2164	NA	KEGG	NA	NA
+C17466	Parishin C	C32H40O19	728.2164	NA	KEGG	NA	NA
+PJ023001	SDDMMM 	C26H44N6O12S3	728.218	NA	PeJP	NA	NA
+PJ023002	CCCNMR 	C24H44N10O8S4	728.2227	NA	PeJP	NA	NA
+PJ023003	GSSSCCW 	C28H40N8O11S2	728.2258	NA	PeJP	NA	NA
+PJ023004	GSSSSSCD 	C24H40N8O16S	728.2283	NA	PeJP	NA	NA
+PJ023005	GSSCNMM 	C25H44N8O11S3	728.2292	NA	PeJP	NA	NA
+PJ023006	ACDEEY 	C29H40N6O14S	728.2323	NA	PeJP	NA	NA
+PJ023007	GDDEMY 	C29H40N6O14S	728.2324	NA	PeJP	NA	NA
+PJ023008	PCCEMF 	C30H44N6O9S3	728.2332	NA	PeJP	NA	NA
+PJ023009	NNDDDH 	C26H36N10O15	728.2362	NA	PeJP	NA	NA
+PJ023010	GEMMMM 	C27H48N6O9S4	728.2366	NA	PeJP	NA	NA
+PJ023011	SCDMHH 	C27H40N10O10S2	728.2371	NA	PeJP	NA	NA
+PJ023012	GSTCCCR 	C24H44N10O10S3	728.2404	NA	PeJP	NA	NA
+PJ023013	GCCNFW 	C32H40N8O8S2	728.2411	NA	PeJP	NA	NA
+PJ023014	SCNNEY 	C28H40N8O13S	728.2436	NA	PeJP	NA	NA
+PJ023015	SCCCKW 	C29H44N8O8S3	728.2445	NA	PeJP	NA	NA
+MJ092262	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 8-Ketone, 1,2,9-tribenzoyl, 6,14-di-Ac 	C40H40O13	728.246891	NA	MeJP	NA	NA
+PJ023016	SSSSCQM 	C25H44N8O13S2	728.2469	NA	PeJP	NA	NA
+PJ023017	GGSSSTCM 	C25H44N8O13S2	728.247	NA	PeJP	NA	NA
+PJ023018	DDMYW 	C33H40N6O11S	728.2476	NA	PeJP	NA	NA
+PJ023019	CCNKMM 	C26H48N8O8S4	728.2478	NA	PeJP	NA	NA
+PJ023020	SSDEEY 	C29H40N6O16	728.2501	NA	PeJP	NA	NA
+PJ023021	SPCEMY 	C30H44N6O11S2	728.251	NA	PeJP	NA	NA
+MJ092263	Carzelesin 	C41H37ClN6O5	728.251396	NA	MeJP	NA	NA
+PJ023022	MMMMW 	C31H48N6O6S4	728.2518	NA	PeJP	NA	NA
+MJ092264	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-3-methoxybenzoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H44O18	728.252764	NA	MeJP	NA	NA
+MJ092265	Caeruleoside B 	C33H44O18	728.252764	NA	MeJP	NA	NA
+MJ092266	Loganic acid; 7-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxy-3-methoxycinnamoyl], Me ester 	C33H44O18	728.252764	NA	MeJP	NA	NA
+PJ023023	STEMMM 	C27H48N6O11S3	728.2543	NA	PeJP	NA	NA
+PJ023024	GSPCNDH 	C27H40N10O12S	728.2548	NA	PeJP	NA	NA
+PJ023025	ACMMHH 	C28H44N10O7S3	728.2557	NA	PeJP	NA	NA
+MJ092267	Topsentiasterol sulfate E 	C31H52O13S3	728.257003	NA	MeJP	NA	NA
+PJ023026	SSSSCCR 	C24H44N10O12S2	728.2582	NA	PeJP	NA	NA
+PJ023027	GSCNYW 	C32H40N8O10S	728.2588	NA	PeJP	NA	NA
+PJ023028	GSSSNDY 	C28H40N8O15	728.2613	NA	PeJP	NA	NA
+PJ023029	GEEEEH 	C28H40N8O15	728.2614	NA	PeJP	NA	NA
+PJ023030	GNNMMY 	C29H44N8O10S2	728.2622	NA	PeJP	NA	NA
+PJ023031	GSSSSSSM 	C25H44N8O15S	728.2647	NA	PeJP	NA	NA
+PJ023032	GPDDYY 	C33H40N6O13	728.2654	NA	PeJP	NA	NA
+PJ023033	GSTCCKM 	C26H48N8O10S3	728.2656	NA	PeJP	NA	NA
+PJ023034	CNNNQH 	C26H40N12O11S	728.266	NA	PeJP	NA	NA
+PJ023035	GGCNNQH 	C26H40N12O11S	728.2661	NA	PeJP	NA	NA
+PJ023036	DMMFW 	C34H44N6O8S2	728.2662	NA	PeJP	NA	NA
+MJ092268	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 19-Benzoyl, 2,5,7,9,10-penta-Ac 	C37H44O15	728.26802	NA	MeJP	NA	NA
+PJ023037	GTEEMY 	C30H44N6O13S	728.2687	NA	PeJP	NA	NA
+PJ023038	GPMMMY 	C31H48N6O8S3	728.2696	NA	PeJP	NA	NA
+PJ023039	GCEHHF 	C31H40N10O9S	728.2701	NA	PeJP	NA	NA
+PJ023040	SNNEEH 	C27H40N10O14	728.2726	NA	PeJP	NA	NA
+PJ023041	SVMMMM 	C28H52N6O8S4	728.273	NA	PeJP	NA	NA
+PJ023042	GCCQRY 	C28H44N10O9S2	728.2734	NA	PeJP	NA	NA
+PJ023043	GGACCRY 	C28H44N10O9S2	728.2735	NA	PeJP	NA	NA
+PJ023044	EEEHW 	C32H40N8O12	728.2766	NA	PeJP	NA	NA
+PJ023045	SSNQMY 	C29H44N8O12S	728.28	NA	PeJP	NA	NA
+PJ023046	DDFFW 	C37H40N6O10	728.2806	NA	PeJP	NA	NA
+PJ023047	SSSSSSST 	C25H44N8O17	728.2824	NA	PeJP	NA	NA
+PJ023048	SSSSCKM 	C26H48N8O12S2	728.2833	NA	PeJP	NA	NA
+PJ023049	GSSNNNH 	C26H40N12O13	728.2838	NA	PeJP	NA	NA
+PJ023050	TEMYW 	C34H44N6O10S	728.284	NA	PeJP	NA	NA
+PJ023051	PCCNHR 	C27H44N12O8S2	728.2847	NA	PeJP	NA	NA
+PJ023052	CHHFW 	C35H40N10O6S	728.2853	NA	PeJP	NA	NA
+PJ023053	STTEEY 	C30H44N6O15	728.2865	NA	PeJP	NA	NA
+PJ023054	SPTMMY 	C31H48N6O10S2	728.2873	NA	PeJP	NA	NA
+PJ023055	GVEMMY 	C31H48N6O10S2	728.2874	NA	PeJP	NA	NA
+PJ023056	GSNEHW 	C31H40N10O11	728.2878	NA	PeJP	NA	NA
+PJ023057	SSCNRY 	C28H44N10O11S	728.2912	NA	PeJP	NA	NA
+MJ092269	Cherinonaine 	C40H44N2O11	728.29451	NA	MeJP	NA	NA
+PJ023058	GNNMFF 	C33H44N8O9S	728.2952	NA	PeJP	NA	NA
+PJ023059	GSSSTQY 	C29H44N8O14	728.2977	NA	PeJP	NA	NA
+MJ092270	Licoagrodin 	C45H44O9	728.298533	NA	MeJP	NA	NA
+PJ023060	EMMRY 	C30H48N8O9S2	728.2986	NA	PeJP	NA	NA
+PJ023061	SPDHHH 	C30H40N12O10	728.2991	NA	PeJP	NA	NA
+PJ023062	GPTEYY 	C34H44N6O12	728.3017	NA	PeJP	NA	NA
+PJ023063	AAEEFY 	C34H44N6O12	728.3018	NA	PeJP	NA	NA
+PJ023064	GNDMHR 	C27H44N12O10S	728.3024	NA	PeJP	NA	NA
+PJ023065	GGGDMHR 	C27H44N12O10S	728.3025	NA	PeJP	NA	NA
+PJ023066	VMMYW 	C35H48N6O7S2	728.3026	NA	PeJP	NA	NA
+PJ023067	SNHWW 	C35H40N10O8	728.3031	NA	PeJP	NA	NA
+MJ092271	Augustineolide 	C38H48O14	728.304406	NA	MeJP	NA	NA
+PJ023068	SSLEMY 	C31H48N6O12S	728.3051	NA	PeJP	NA	NA
+PJ023069	GLMMMF 	C32H52N6O7S3	728.306	NA	PeJP	NA	NA
+PJ023070	QQMHW 	C32H44N10O8S	728.3064	NA	PeJP	NA	NA
+PJ023071	GAQMHW 	C32H44N10O8S	728.3065	NA	PeJP	NA	NA
+PJ023072	SSPPNNN 	C28H44N10O13	728.3089	NA	PeJP	NA	NA
+PJ023073	SNDKEH 	C28H44N10O13	728.309	NA	PeJP	NA	NA
+PJ023074	GCCKRY 	C29H48N10O8S2	728.3098	NA	PeJP	NA	NA
+PJ023075	GNQHHH 	C29H40N14O9	728.3103	NA	PeJP	NA	NA
+PJ023076	SPPNEW 	C33H44N8O11	728.313	NA	PeJP	NA	NA
+PJ023077	SSNKMY 	C30H48N8O11S	728.3163	NA	PeJP	NA	NA
+PJ023078	ALEEMH 	C30H48N8O11S	728.3164	NA	PeJP	NA	NA
+PJ023079	PTYYW 	C38H44N6O9	728.317	NA	PeJP	NA	NA
+PJ023080	CQHRW 	C31H44N12O7S	728.3177	NA	PeJP	NA	NA
+MJ092272	Taxuspine A 	C42H48O11	728.319662	NA	MeJP	NA	NA
+PJ023081	SSNEHR 	C27H44N12O12	728.3202	NA	PeJP	NA	NA
+PJ023082	GPVMYY 	C35H48N6O9S	728.3204	NA	PeJP	NA	NA
+PJ023083	ATLMMY 	C32H52N6O9S2	728.3237	NA	PeJP	NA	NA
+PJ023084	GSDKHW 	C32H44N10O10	728.3242	NA	PeJP	NA	NA
+MJ092273	Shimofuridin A; 9''-O-Deacyl, 9''-(2,4-decadienoyl)(E,E-) 	C36H48N4O12	728.326873	NA	MeJP	NA	NA
+PJ023085	PPNDMR 	C29H48N10O10S	728.3276	NA	PeJP	NA	NA
+PJ023086	GSPPWW 	C37H44N8O8	728.3282	NA	PeJP	NA	NA
+PJ023087	APPQMW 	C34H48N8O8S	728.3316	NA	PeJP	NA	NA
+PJ023088	GSSSTKY 	C30H48N8O13	728.3341	NA	PeJP	NA	NA
+PJ023089	GCKKMY 	C31H52N8O8S2	728.335	NA	PeJP	NA	NA
+PJ023090	GSSHRW 	C31H44N12O9	728.3355	NA	PeJP	NA	NA
+PJ023091	VMFFW 	C39H48N6O6S	728.3356	NA	PeJP	NA	NA
+PJ023092	AALEYY 	C35H48N6O11	728.3381	NA	PeJP	NA	NA
+PJ023093	GTQMHR 	C28H48N12O9S	728.3388	NA	PeJP	NA	NA
+PJ023094	AAHHFF 	C36H44N10O7	728.3395	NA	PeJP	NA	NA
+MJ092274	Zaragozic acid C; 4',5'-Dihydro, O-de-Ac, 3-Me ester 	C39H52O13	728.340791	NA	MeJP	NA	NA
+PJ023095	TTTLMY 	C32H52N6O11S	728.3415	NA	PeJP	NA	NA
+PJ023096	QKMHW 	C33H48N10O7S	728.3428	NA	PeJP	NA	NA
+PJ023097	APPCRW 	C33H48N10O7S	728.3429	NA	PeJP	NA	NA
+PJ023098	APQEER 	C29H48N10O12	728.3453	NA	PeJP	NA	NA
+PJ023099	GAAPEER 	C29H48N10O12	728.3454	NA	PeJP	NA	NA
+PJ023100	GNKHHH 	C30H44N14O8	728.3467	NA	PeJP	NA	NA
+MJ092275	Hordatine B; O-De-Me, 4'-?-D-glucopyranoside 	C34H48N8O10	728.349339	NA	MeJP	NA	NA
+PJ023101	GPLQEW 	C34H48N8O10	728.3494	NA	PeJP	NA	NA
+PJ023102	GTCHRR 	C27H48N14O8S	728.3501	NA	PeJP	NA	NA
+PJ023103	LHHHW 	C35H44N12O6	728.3507	NA	PeJP	NA	NA
+MJ092276	Finetiadine 	C38H52N2O12	728.352025	NA	MeJP	NA	NA
+PJ023104	STCKKY 	C31H52N8O10S	728.3527	NA	PeJP	NA	NA
+PJ023105	GAPPKEM 	C31H52N8O10S	728.3528	NA	PeJP	NA	NA
+PJ023106	VVYYW 	C39H48N6O8	728.3534	NA	PeJP	NA	NA
+PJ023107	CKHRW 	C32H48N12O6S	728.3541	NA	PeJP	NA	NA
+7484	ACE inhibitor (fr, of as2-casein, 189-192)	AMPKPW	728.3544	antioxidative	Inhouse_peptide	NA	peptide
+PJ023108	GPDERR 	C28H48N12O11	728.3566	NA	PeJP	NA	NA
+PJ023109	GVLMFY 	C36H52N6O8S	728.3568	NA	PeJP	NA	NA
+PJ023110	PLLEEE 	C32H52N6O13	728.3593	NA	PeJP	NA	NA
+PJ023111	AAPERW 	C33H48N10O9	728.3606	NA	PeJP	NA	NA
+PJ023112	PPTQMR 	C30H52N10O9S	728.364	NA	PeJP	NA	NA
+PJ023113	PLQWW 	C38H48N8O7	728.3646	NA	PeJP	NA	NA
+MJ092277	Disorazole A1; Deepoxy, O-de-Me 	C42H52N2O9	728.367281	NA	MeJP	NA	NA
+MJ092278	Isothalirine 	C42H52N2O9	728.367281	NA	MeJP	NA	NA
+PJ023114	SSSHRR 	C27H48N14O10	728.3678	NA	PeJP	NA	NA
+PJ023115	APPKMW 	C35H52N8O7S	728.368	NA	PeJP	NA	NA
+PJ023116	PVQKEE 	C31H52N8O12	728.3705	NA	PeJP	NA	NA
+PJ023117	VVLMMH 	C32H56N8O7S2	728.3714	NA	PeJP	NA	NA
+PJ023118	PDRRW 	C32H48N12O8	728.3718	NA	PeJP	NA	NA
+PJ023119	GGGVHFR 	C32H48N12O8	728.3719	NA	PeJP	NA	NA
+PJ023120	GTLLYY 	C36H52N6O10	728.3745	NA	PeJP	NA	NA
+PJ023121	PPTCRR 	C29H52N12O8S	728.3752	NA	PeJP	NA	NA
+PJ023122	KKMHW 	C34H52N10O6S	728.3792	NA	PeJP	NA	NA
+PJ023123	APKEER 	C30H52N10O11	728.3817	NA	PeJP	NA	NA
+PJ023124	GGGGPKKE 	C30H52N10O11	728.3818	NA	PeJP	NA	NA
+PJ023125	NHFRR 	C31H48N14O7	728.3831	NA	PeJP	NA	NA
+PJ023126	PPTTKW 	C35H52N8O9	728.3857	NA	PeJP	NA	NA
+PJ023127	GPLKEW 	C35H52N8O9	728.3858	NA	PeJP	NA	NA
+MJ092279	Gyalanine A 	C39H56N2O11	728.38841	NA	MeJP	NA	NA
+MJ092280	Gyalanine B 	C39H56N2O11	728.38841	NA	MeJP	NA	NA
+PJ023128	PPKKEM 	C32H56N8O9S	728.3891	NA	PeJP	NA	NA
+PJ023129	GVLFFF 	C40H52N6O7	728.3898	NA	PeJP	NA	NA
+MJ092281	1,2,3-Trihydroxy-14-taraxeren-28-oic acid, 2,3-Bis(4-hydroxybenzoyl) 	C44H56O9	728.392433	NA	MeJP	NA	NA
+PJ023130	APTERR 	C29H52N12O10	728.393	NA	PeJP	NA	NA
+PJ023131	GPTLRW 	C34H52N10O8	728.397	NA	PeJP	NA	NA
+MJ092282	8(14),15-Pimaradiene-3,12-diol, 3-O-[?-D-Fucopyranosyl(1?2)-?-L-arabinopyranoside],12-O-?-D-fucopyranoside 	C37H60O14	728.398306	NA	MeJP	NA	NA
+MJ092283	3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide, 3-Suberoyl-L-arginine ester 	C38H56N4O10	728.399644	NA	MeJP	NA	NA
+MJ092284	3,5,14-Trihydroxy-19-oxobufa-20,22-dienolide, 3-O-(L-Argininylsuberoyl) 	C38H56N4O10	728.399644	NA	MeJP	NA	NA
+PJ023132	PPTKMR 	C31H56N10O8S	728.4004	NA	PeJP	NA	NA
+PJ023133	PLKWW 	C39H52N8O6	728.401	NA	PeJP	NA	NA
+PJ023134	AAQQRR 	C28H52N14O9	728.4042	NA	PeJP	NA	NA
+PJ023135	PVKKEE 	C32H56N8O11	728.4069	NA	PeJP	NA	NA
+MJ092285	Glossophyllin 	C48H56O6	728.407689	NA	MeJP	NA	NA
+PJ023136	GPPFRR 	C33H52N12O7	728.4082	NA	PeJP	NA	NA
+PJ023137	GPLMRR 	C30H56N12O7S	728.4116	NA	PeJP	NA	NA
+MJ092286	Avermectin B1a; O5-Me, 3'-O-de-Me, 4'-O-deglycosyl 	C41H60O11	728.413562	NA	MeJP	NA	NA
+C11966	Avermectin A1b monosaccharide	C41H60O11	728.4136	NA	KEGG	NA	NA
+C11981	Avermectin B1a monosaccharide	C41H60O11	728.4136	NA	KEGG	NA	NA
+PJ023138	NQRRR 	C27H52N16O8	728.4154	NA	PeJP	NA	NA
+PJ023139	GGGARRR 	C27H52N16O8	728.4155	NA	PeJP	NA	NA
+2584	tenecin-1 (34-42)	CNGKRVCVCG	728.4159	NA	Inhouse_peptide	NA	peptide
+PJ023140	SPLKER 	C31H56N10O10	728.4181	NA	PeJP	NA	NA
+PJ023141	SPVLKW 	C36H56N8O8	728.4221	NA	PeJP	NA	NA
+PJ023142	GGALLLW 	C36H56N8O8	728.4222	NA	PeJP	NA	NA
+PJ023143	PLLQKM 	C33H60N8O8S	728.4255	NA	PeJP	NA	NA
+PJ023144	AVQQKR 	C30H56N12O9	728.4293	NA	PeJP	NA	NA
+PJ023145	GVLERR 	C30H56N12O9	728.4294	NA	PeJP	NA	NA
+PJ023146	LLLLEE 	C34H60N6O11	728.432	NA	PeJP	NA	NA
+PJ023147	AALLRW 	C35H56N10O7	728.4334	NA	PeJP	NA	NA
+MJ092287	2,3,22-Trihydroxycholestan-6-one, 22-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C38H64O13	728.434692	NA	MeJP	NA	NA
+MJ092288	Cholest-22-ene-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C38H64O13	728.434692	NA	MeJP	NA	NA
+PJ023148	PVVKMR 	C32H60N10O7S	728.4368	NA	PeJP	NA	NA
+3892	temporin G	FFPVIGRILNGIL~	728.43895	MH2+	Inhouse_peptide	NA	peptide
+PJ023149	LERRR 	C29H56N14O8	728.4406	NA	PeJP	NA	NA
+MJ092289	Dynastin 1 	C33H60N8O10	728.44324	NA	MeJP	NA	NA
+PJ023150	VLLQKE 	C33H60N8O10	728.4433	NA	PeJP	NA	NA
+PJ023151	VLRRW 	C34H56N12O6	728.4446	NA	PeJP	NA	NA
+MJ092290	21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7,11-Bis(2R-hydroxy-3-methyl-3E-pentenoyl) 	C42H64O10	728.449948	NA	MeJP	NA	NA
+3873	vespa-like peptide from R, Esculenta	FLPILGKILGQLF~	728.451	MH2+	Inhouse_peptide	NA	peptide
+PJ023152	NKRRR 	C28H56N16O7	728.4518	NA	PeJP	NA	NA
+PJ023153	ALLKER 	C32H60N10O9	728.4545	NA	PeJP	NA	NA
+PJ023154	GLLLKW 	C37H60N8O7	728.4585	NA	PeJP	NA	NA
+PJ023155	PLLKKM 	C34H64N8O7S	728.4619	NA	PeJP	NA	NA
+MJ092291	Flexixanthin; 3-Deoxy, 3',4'-dihydro, O-?-D-glucopyranoside 	C46H64O7	728.465204	NA	MeJP	NA	NA
+MJ092292	Myxol; 3-Ketone, 2'-O-?-L-rhamnopyranoside 	C46H64O7	728.465204	NA	MeJP	NA	NA
+PJ023156	ATLLRR 	C31H60N12O8	728.4657	NA	PeJP	NA	NA
+PJ023157	GGALKKR 	C31H60N12O8	728.4658	NA	PeJP	NA	NA
+MJ092293	6,14,16,24,32,34-Hexahydroxy-4,8,12,22,26,30-nonatriacontanehexone 	C39H68O12	728.471077	NA	MeJP	NA	NA
+PJ023158	AAKKRR 	C30H60N14O7	728.477	NA	PeJP	NA	NA
+PJ023159	VLLKKE 	C34H64N8O9	728.4797	NA	PeJP	NA	NA
+PJ023160	SLLLKR 	C33H64N10O8	728.4909	NA	PeJP	NA	NA
+PJ023161	GLKKKR 	C32H64N12O7	728.5021	NA	PeJP	NA	NA
+PJ023162	VVKKKK 	C34H68N10O7	728.5273	NA	PeJP	NA	NA
+MJ092294	1,2-Di-O-acylglycerols; Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate, 3-O-?-D-Galactopyranoside (2S-) 	C41H76O10	728.543848	NA	MeJP	NA	NA
+EUR1079	SM(d18:1/18:1) monoisotopic mass 	C41H81N2O6P	728.583226	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1079	SM(d18:1/18:1) monoisotopic mass 	C41H81N2O6P	728.583226	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1079	SM(d18:1/18:1) monoisotopic mass 	C41H81N2O6P	728.583226	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1079	SM(d18:1/18:1) monoisotopic mass 	C41H81N2O6P	728.583226	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12100	SM(d18:1/18:1(11Z))	C41H81N2O6P	728.583252	NA	HMDB2010	NA	NA
+HMDB12101	SM(d18:1/18:1(9Z))	C41H81N2O6P	728.583252	NA	HMDB2010	NA	NA
+MJ092295	1,34-Tetratriacontanediol; 1-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 34-Ac 	C46H80O6	728.59549	NA	MeJP	NA	NA
+HMDB07471	DG(20:3(5Z,8Z,11Z)/24:1(15Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07500	DG(20:3(8Z,11Z,14Z)/24:1(15Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07528	DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07557	DG(20:4(8Z,11Z,14Z,17Z)/24:0/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07611	DG(22:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07668	DG(22:2(13Z,16Z)/22:2(13Z,16Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07695	DG(22:4(7Z,10Z,13Z,16Z)/22:0/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07808	DG(24:0/20:4(5Z,8Z,11Z,14Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07809	DG(24:0/20:4(8Z,11Z,14Z,17Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07835	DG(24:1(15Z)/20:3(5Z,8Z,11Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+HMDB07836	DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)	C47H84O5	728.631897	NA	HMDB2010	NA	NA
+MJ092296	Amphiasterin A3; 32',33'-Didehydro(E-) 	C49H92O3	728.704646	NA	MeJP	NA	NA
+3195	crabolin-like from skin of frog Rana esculenta	FLPLAIGLLGKLFG	728.943	MH2+	Inhouse_peptide	NA	peptide
+3877	vespa-like peptide from R, Esculenta	FLPLIAGLLGKLFG	728.943	MH2+	Inhouse_peptide	NA	peptide
+PJ023163	GCCCDDD 	C23H35N7O14S3	729.1405	NA	PeJP	NA	NA
+PJ023164	SPCCCCD 	C24H39N7O11S4	729.1591	NA	PeJP	NA	NA
+MJ092297	[[4'-[[1-[2-Bromo-5-[(1-oxopentyl)amino]phenyl]-3-ethyl-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; tert-Butyl ester 	C33H37BrFN5O6S	729.163195	NA	MeJP	NA	NA
+PJ023165	GCCCCNQ 	C23H39N9O10S4	729.1703	NA	PeJP	NA	NA
+PJ023166	GSCCDDM 	C24H39N7O13S3	729.1768	NA	PeJP	NA	NA
+MJ092298	Piridicillin 	C32H35N5O11S2	729.177448	NA	MeJP	NA	NA
+PJ023167	APCCCCM 	C25H43N7O8S5	729.1777	NA	PeJP	NA	NA
+PJ023168	SSCCCNN 	C23H39N9O12S3	729.1881	NA	PeJP	NA	NA
+PJ023169	SCCCEW 	C28H39N7O10S3	729.1921	NA	PeJP	NA	NA
+PJ023170	SSSCCDE 	C24H39N7O15S2	729.1946	NA	PeJP	NA	NA
+PJ023171	CCNEMM 	C25H43N7O10S4	729.1954	NA	PeJP	NA	NA
+PJ023172	GGCCEMM 	C25H43N7O10S4	729.1955	NA	PeJP	NA	NA
+PJ023173	CCCDMR 	C24H43N9O9S4	729.2067	NA	PeJP	NA	NA
+PJ023174	CCNDEF 	C28H39N7O12S2	729.2098	NA	PeJP	NA	NA
+PJ023175	GGCCDEF 	C28H39N7O12S2	729.2099	NA	PeJP	NA	NA
+PJ023176	GCCMMW 	C29H43N7O7S4	729.2107	NA	PeJP	NA	NA
+PJ023177	GSSCDMM 	C25H43N7O12S3	729.2132	NA	PeJP	NA	NA
+PJ023178	CCCQHH 	C26H39N11O8S3	729.2146	NA	PeJP	NA	NA
+PJ023179	NDDDDH 	C26H35N9O16	729.2202	NA	PeJP	NA	NA
+PJ023180	CCNNNY 	C27H39N9O11S2	729.2211	NA	PeJP	NA	NA
+PJ023181	GCCDFW 	C32H39N7O9S2	729.2251	NA	PeJP	NA	NA
+PJ023182	SCNDEY 	C28H39N7O14S	729.2276	NA	PeJP	NA	NA
+PJ023183	STCCMW 	C29H43N7O9S3	729.2285	NA	PeJP	NA	NA
+PJ023184	SSSSCEM 	C25H43N7O14S2	729.231	NA	PeJP	NA	NA
+PJ023185	SCQMMM 	C26H47N7O9S4	729.2318	NA	PeJP	NA	NA
+PJ023186	GSSCCHH 	C26H39N11O10S2	729.2323	NA	PeJP	NA	NA
+PJ023187	GSPCDDH 	C27H39N9O13S	729.2388	NA	PeJP	NA	NA
+PJ023188	APPCCCH 	C28H43N9O8S3	729.2397	NA	PeJP	NA	NA
+PJ023189	GSCDYW 	C32H39N7O11S	729.2429	NA	PeJP	NA	NA
+PJ023190	SCCMMR 	C25H47N9O8S4	729.2431	NA	PeJP	NA	NA
+PJ023191	GSSSDDY 	C28H39N7O16	729.2454	NA	PeJP	NA	NA
+PJ023192	GNDMMY 	C29H43N7O11S2	729.2462	NA	PeJP	NA	NA
+PJ023193	GSSSMMM 	C26H47N7O11S3	729.2496	NA	PeJP	NA	NA
+PJ023194	CNNNEH 	C26H39N11O12S	729.2501	NA	PeJP	NA	NA
+PJ023195	CCCKHH 	C27H43N11O7S3	729.2509	NA	PeJP	NA	NA
+PJ023196	SNDEEH 	C27H39N9O15	729.2566	NA	PeJP	NA	NA
+PJ023197	GCCERY 	C28H43N9O10S2	729.2575	NA	PeJP	NA	NA
+PJ023198	GNDDFY 	C32H39N7O13	729.2606	NA	PeJP	NA	NA
+PJ023199	CQMYW 	C33H43N7O8S2	729.2615	NA	PeJP	NA	NA
+PJ023200	SSNEMY 	C29H43N7O13S	729.264	NA	PeJP	NA	NA
+PJ023201	GNMMMF 	C30H47N7O8S3	729.2649	NA	PeJP	NA	NA
+PJ023202	GCNNHW 	C30H39N11O9S	729.2653	NA	PeJP	NA	NA
+PJ023203	SSSSTMM 	C26H47N7O13S2	729.2673	NA	PeJP	NA	NA
+PJ023204	GSSNNDH 	C26H39N11O14	729.2678	NA	PeJP	NA	NA
+PJ023205	SCKMMM 	C27H51N7O8S4	729.2682	NA	PeJP	NA	NA
+PJ023206	PCCDHR 	C27H43N11O9S2	729.2687	NA	PeJP	NA	NA
+PJ023207	GSDEHW 	C31H39N9O12	729.2719	NA	PeJP	NA	NA
+PJ023208	CCRYW 	C32H43N9O7S2	729.2727	NA	PeJP	NA	NA
+PJ023209	SSCDRY 	C28H43N9O12S	729.2752	NA	PeJP	NA	NA
+PJ023210	ACCMFR 	C29H47N9O7S3	729.2761	NA	PeJP	NA	NA
+PJ023211	GSSMYW 	C33H43N7O10S	729.2792	NA	PeJP	NA	NA
+PJ023212	GGGDMFF 	C33H43N7O10S	729.2793	NA	PeJP	NA	NA
+PJ023213	GSSSTEY 	C29H43N7O15	729.2817	NA	PeJP	NA	NA
+PJ023214	GTQMMY 	C30H47N7O10S2	729.2826	NA	PeJP	NA	NA
+PJ023215	SNNQMH 	C27H43N11O11S	729.2864	NA	PeJP	NA	NA
+PJ023216	GDDMHR 	C27H43N11O11S	729.2865	NA	PeJP	NA	NA
+PJ023217	SDHWW 	C35H39N9O9	729.2871	NA	PeJP	NA	NA
+PJ023218	QEMHW 	C32H43N9O9S	729.2905	NA	PeJP	NA	NA
+PJ023219	STQEEH 	C28H43N9O14	729.293	NA	PeJP	NA	NA
+PJ023220	GTCMRY 	C29H47N9O9S2	729.2938	NA	PeJP	NA	NA
+PJ023221	PCDKMH 	C29H47N9O9S2	729.2939	NA	PeJP	NA	NA
+PJ023222	GNEHHH 	C29H39N13O10	729.2943	NA	PeJP	NA	NA
+PJ023223	CQFFW 	C37H43N7O7S	729.2945	NA	PeJP	NA	NA
+PJ023224	SSSTYW 	C33H43N7O12	729.297	NA	PeJP	NA	NA
+PJ023225	SCNNHR 	C26H43N13O10S	729.2977	NA	PeJP	NA	NA
+PJ023226	CKMYW 	C34H47N7O7S2	729.2979	NA	PeJP	NA	NA
+MJ092299	Disnogamycin 	C37H47NO14	729.299655	NA	MeJP	NA	NA
+PJ023227	SSDKMY 	C30H47N7O12S	729.3004	NA	PeJP	NA	NA
+PJ023228	ACKMMF 	C31H51N7O7S3	729.3012	NA	PeJP	NA	NA
+PJ023229	CEHRW 	C31H43N11O8S	729.3017	NA	PeJP	NA	NA
+PJ023230	SSDEHR 	C27H43N11O13	729.3042	NA	PeJP	NA	NA
+PJ023231	SPCMHR 	C28H47N11O8S2	729.3051	NA	PeJP	NA	NA
+PJ023232	AMHWW 	C36H43N9O6S	729.3057	NA	PeJP	NA	NA
+PJ023233	GTTEHW 	C32H43N9O11	729.3082	NA	PeJP	NA	NA
+PJ023234	GGGGAPEW 	C32H43N9O11	729.3083	NA	PeJP	NA	NA
+PJ023235	NHHHW 	C33H39N13O7	729.3096	NA	PeJP	NA	NA
+PJ023236	SSSMRY 	C29H47N9O11S	729.3116	NA	PeJP	NA	NA
+PJ023237	AQYYW 	C37H43N7O9	729.3122	NA	PeJP	NA	NA
+PJ023238	GAAYYW 	C37H43N7O9	729.3123	NA	PeJP	NA	NA
+PJ023239	APPEMW 	C34H47N7O9S	729.3156	NA	PeJP	NA	NA
+PJ023240	SSSSSLY 	C30H47N7O14	729.3181	NA	PeJP	NA	NA
+PJ023241	GTKMMY 	C31H51N7O9S2	729.319	NA	PeJP	NA	NA
+PJ023242	GNQQHF 	C31H43N11O10	729.3195	NA	PeJP	NA	NA
+PJ023243	GTEMHR 	C28H47N11O10S	729.3228	NA	PeJP	NA	NA
+PJ023244	GGGSPPCR 	C28H47N11O10S	729.3229	NA	PeJP	NA	NA
+MJ092300	Cyclotheonamide A; 4,5-Didehydro(Z-) 	C36H43N9O8	729.323459	NA	MeJP	NA	NA
+PJ023245	TTHWW 	C36H43N9O8	729.3235	NA	PeJP	NA	NA
+PJ023246	NMFRY 	C33H47N9O8S	729.3268	NA	PeJP	NA	NA
+PJ023247	KEMHW 	C33H47N9O8S	729.3269	NA	PeJP	NA	NA
+PJ023248	SSPTTTH 	C29H47N9O13	729.3293	NA	PeJP	NA	NA
+PJ023249	APEEER 	C29H47N9O13	729.3294	NA	PeJP	NA	NA
+PJ023250	SPKMMH 	C30H51N9O8S2	729.3302	NA	PeJP	NA	NA
+PJ023251	GDKHHH 	C30H43N13O9	729.3307	NA	PeJP	NA	NA
+PJ023252	CKFFW 	C38H47N7O6S	729.3309	NA	PeJP	NA	NA
+PJ023253	GPLEEW 	C34H47N7O11	729.3334	NA	PeJP	NA	NA
+PJ023254	GPPHHW 	C35H43N11O7	729.3347	NA	PeJP	NA	NA
+3631	NA	YPFGFT~	729.335	ACE inhibitor	Inhouse_peptide	NA	peptide
+7069	coeliac toxic peptide	FSQPQQQFPQPQ	729.336	MH2+	Inhouse_peptide	NA	peptide
+PJ023255	STTKMY 	C31H51N7O11S	729.3367	NA	PeJP	NA	NA
+PJ023256	PPKEEM 	C31H51N7O11S	729.3368	NA	PeJP	NA	NA
+PJ023257	TMHRW 	C32H47N11O7S	729.3381	NA	PeJP	NA	NA
+PJ023258	STTEHR 	C28H47N11O12	729.3406	NA	PeJP	NA	NA
+PJ023259	GVMMHR 	C29H51N11O7S2	729.3415	NA	PeJP	NA	NA
+PJ023260	GSHHHR 	C29H43N15O8	729.3419	NA	PeJP	NA	NA
+PJ023261	SSTLHW 	C33H47N9O10	729.3446	NA	PeJP	NA	NA
+PJ023262	PPTEMR 	C30H51N9O10S	729.348	NA	PeJP	NA	NA
+PJ023263	PLEWW 	C38H47N7O8	729.3486	NA	PeJP	NA	NA
+PJ023264	GGGVFFF 	C38H47N7O8	729.3487	NA	PeJP	NA	NA
+PJ023265	GNQQQR 	C27H47N13O11	729.3518	NA	PeJP	NA	NA
+PJ023266	GGGGGGVNR 	C27H47N13O11	729.3519	NA	PeJP	NA	NA
+PJ023267	SPPLMW 	C35H51N7O8S	729.352	NA	PeJP	NA	NA
+MJ092301	Jubanine B 	C43H47N5O6	729.352634	NA	MeJP	NA	NA
+PJ023268	MMHRR 	C28H51N13O6S2	729.3527	NA	PeJP	NA	NA
+PJ023269	PVKEEE 	C31H51N7O13	729.3545	NA	PeJP	NA	NA
+PJ023270	AAPPLMM 	C32H55N7O8S2	729.3554	NA	PeJP	NA	NA
+PJ023271	ASPNRW 	C32H47N11O9	729.3558	NA	PeJP	NA	NA
+PJ023272	GSPQRW 	C32H47N11O9	729.3559	NA	PeJP	NA	NA
+PJ023273	SSLMHR 	C29H51N11O9S	729.3592	NA	PeJP	NA	NA
+PJ023274	PNKWW 	C37H47N9O7	729.3599	NA	PeJP	NA	NA
+PJ023275	GNNNRR 	C26H47N15O10	729.3631	NA	PeJP	NA	NA
+PJ023276	APKMHF 	C34H51N9O7S	729.3633	NA	PeJP	NA	NA
+PJ023277	SPLEER 	C30H51N9O12	729.3657	NA	PeJP	NA	NA
+PJ023278	GGPDKKE 	C30H51N9O12	729.3658	NA	PeJP	NA	NA
+PJ023279	PPVMMR 	C31H55N9O7S2	729.3666	NA	PeJP	NA	NA
+PJ023280	DHFRR 	C31H47N13O8	729.3671	NA	PeJP	NA	NA
+PJ023281	SPVLEW 	C35H51N7O10	729.3698	NA	PeJP	NA	NA
+PJ023282	GPNMRR 	C28H51N13O8S	729.3705	NA	PeJP	NA	NA
+PJ023283	PLLQEM 	C32H55N7O10S	729.3731	NA	PeJP	NA	NA
+PJ023284	GAPILEM 	C32H55N7O10S	729.3732	NA	PeJP	NA	NA
+PJ023285	SPNKER 	C29H51N11O11	729.377	NA	PeJP	NA	NA
+PJ023286	GPDKKW 	C34H51N9O9	729.381	NA	PeJP	NA	NA
+PJ023287	PVVEMR 	C31H55N9O9S	729.3844	NA	PeJP	NA	NA
+PJ023288	APPLFW 	C39H51N7O7	729.385	NA	PeJP	NA	NA
+MJ092302	27-[[3-[2-[(3-Carboxy-1-oxo-2-propenyl)amino]-5-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-3-oxoolean-12-en-28-oic acid 	C43H55NO9	729.387682	NA	MeJP	NA	NA
+MJ092303	27-[[3-[2-[(3-Carboxy-1-oxo-2-propenyl)amino]-5-hydroxyphenyl]-1-oxo2-propenyl]oxy]-3-oxoolean-12-en-28-oic acid 	C43H55NO9	729.387682	NA	MeJP	NA	NA
+PJ023289	AAQERR 	C28H51N13O10	729.3882	NA	PeJP	NA	NA
+PJ023290	APLLMW 	C36H55N7O7S	729.3884	NA	PeJP	NA	NA
+8119	peptide derived from giant squid muscle (Dosidicus gigas)	NGLEGLK	729.3889	anticancer	Inhouse_peptide	NA	peptide
+PJ023291	VLLQEE 	C32H55N7O12	729.3909	NA	PeJP	NA	NA
+PJ023292	GSPKRW 	C33H51N11O8	729.3922	NA	PeJP	NA	NA
+PJ023293	GGAALRW 	C33H51N11O8	729.3923	NA	PeJP	NA	NA
+2630	synthetic fr,of human beta-CN (47-52) ACE inhibitor	QPLIYP	729.393	NA	Inhouse_peptide	NA	peptide
+PJ023294	APQKMR 	C30H55N11O8S	729.3956	NA	PeJP	NA	NA
+PJ023295	LKHFW 	C38H51N9O6	729.3963	NA	PeJP	NA	NA
+PJ023296	DQRRR 	C27H51N15O9	729.3994	NA	PeJP	NA	NA
+PJ023297	NERRR 	C27H51N15O9	729.3995	NA	PeJP	NA	NA
+PJ023298	ALLEER 	C31H55N9O11	729.4021	NA	PeJP	NA	NA
+PJ023299	AAAAAVKE 	C31H55N9O11	729.4022	NA	PeJP	NA	NA
+PJ023300	VNRRW 	C32H51N13O7	729.4035	NA	PeJP	NA	NA
+PJ023301	GLLLEW 	C36H55N7O9	729.4062	NA	PeJP	NA	NA
+PJ023302	APCKRR 	C29H55N13O7S	729.4069	NA	PeJP	NA	NA
+PJ023303	PLLKEM 	C33H59N7O9S	729.4095	NA	PeJP	NA	NA
+MJ092304	Exumolide A 	C41H55N5O7	729.410149	NA	MeJP	NA	NA
+PJ023304	GLQKER 	C30H55N11O10	729.4134	NA	PeJP	NA	NA
+PJ023305	GRRRW 	C31H51N15O6	729.4147	NA	PeJP	NA	NA
+PJ023306	APTKKW 	C35H55N9O8	729.4174	NA	PeJP	NA	NA
+PJ023307	PTLLMR 	C32H59N9O8S	729.4208	NA	PeJP	NA	NA
+PJ023308	LLLWW 	C40H55N7O6	729.4214	NA	PeJP	NA	NA
+PJ023309	AAKERR 	C29H55N13O9	729.4246	NA	PeJP	NA	NA
+PJ023310	VLLKEE 	C33H59N7O11	729.4273	NA	PeJP	NA	NA
+PJ023311	LQKRW 	C34H55N11O7	729.4286	NA	PeJP	NA	NA
+PJ023312	APKKMR 	C31H59N11O7S	729.432	NA	PeJP	NA	NA
+PJ023313	DKRRR 	C28H55N15O8	729.4358	NA	PeJP	NA	NA
+PJ023314	SLLLER 	C32H59N9O10	729.4385	NA	PeJP	NA	NA
+PJ023315	SVLLLW 	C37H59N7O8	729.4425	NA	PeJP	NA	NA
+PJ023316	GAPLLLF 	C37H59N7O8	729.4426	NA	PeJP	NA	NA
+PJ023317	LLLLQM 	C34H63N7O8S	729.4459	NA	PeJP	NA	NA
+PJ023318	SRRRR 	C27H55N17O7	729.4471	NA	PeJP	NA	NA
+PJ023319	SVLQKR 	C31H59N11O9	729.4497	NA	PeJP	NA	NA
+PJ023320	GLKKER 	C31H59N11O9	729.4498	NA	PeJP	NA	NA
+PJ023321	GVLKKW 	C36H59N9O7	729.4538	NA	PeJP	NA	NA
+PJ023322	VVLLMR 	C33H63N9O7S	729.4572	NA	PeJP	NA	NA
+HMDB12337	PS(14:0/18:3(9Z,12Z,15Z))	C38H68NO10P	729.458069	NA	HMDB2010	NA	NA
+HMDB12347	PS(14:1(9Z)/18:2(9Z,12Z))	C38H68NO10P	729.458069	NA	HMDB2010	NA	NA
+HMDB12397	PS(18:2(9Z,12Z)/14:1(9Z))	C38H68NO10P	729.458069	NA	HMDB2010	NA	NA
+HMDB12407	PS(18:3(9Z,12Z,15Z)/14:0)	C38H68NO10P	729.458069	NA	HMDB2010	NA	NA
+PJ023323	GTLKRR 	C30H59N13O8	729.461	NA	PeJP	NA	NA
+PJ023324	GTTLLLL 	C34H63N7O10	729.4637	NA	PeJP	NA	NA
+PJ023325	LKKRW 	C35H59N11O6	729.465	NA	PeJP	NA	NA
+PJ023326	VVKKKE 	C33H63N9O9	729.4749	NA	PeJP	NA	NA
+PJ023327	PLLLKF 	C38H63N7O7	729.4789	NA	PeJP	NA	NA
+PJ023328	LLLLKM 	C35H67N7O7S	729.4823	NA	PeJP	NA	NA
+PJ023329	SVLKKR 	C32H63N11O8	729.4861	NA	PeJP	NA	NA
+PJ023330	TLLKKK 	C34H67N9O8	729.5113	NA	PeJP	NA	NA
+PJ023331	AKKKKK 	C33H67N11O7	729.5225	NA	PeJP	NA	NA
+EUR934	PC 32:2 monoisotopic mass 	C40H76NO8P	729.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR934	PC 32:2 monoisotopic mass 	C40H76NO8P	729.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR934	PC 32:2 monoisotopic mass 	C40H76NO8P	729.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR934	PC 32:2 monoisotopic mass 	C40H76NO8P	729.530857	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07874	PC(14:0/18:2(9Z,12Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB07905	PC(14:1(9Z)/18:1(11Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB07906	PC(14:1(9Z)/18:1(9Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB08002	PC(16:1(9Z)/16:1(9Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB08065	PC(18:1(11Z)/14:1(9Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB08098	PC(18:1(9Z)/14:1(9Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB08130	PC(18:2(9Z,12Z)/14:0)	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB08901	PE(15:0/20:2(11Z,14Z))	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+HMDB09285	PE(20:2(11Z,14Z)/15:0)	C40H76NO8P	729.530884	NA	HMDB2010	NA	NA
+MJ092305	Bis(2,3,6-tribromo-4,5-dihydroxybenzyl) ether 	C14H8Br6O5	729.547199	NA	MeJP	NA	NA
+HMDB07963	PC(15:0/P-18:1(11Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB07964	PC(15:0/P-18:1(9Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB09017	PE(18:0/P-18:1(11Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB09018	PE(18:0/P-18:1(9Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB09049	PE(18:1(11Z)/P-18:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB09082	PE(18:1(9Z)/P-18:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB09279	PE(20:1(11Z)/P-16:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11271	PC(P-18:1(11Z)/15:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11304	PC(P-18:1(9Z)/15:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11348	PE(P-16:0/20:1(11Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11374	PE(dm18:0/18:1(11Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11375	PE(P-18:0/18:1(9Z))	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11406	PE(P-18:1(11Z)/18:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB11439	PE(P-18:1(9Z)/18:0)	C41H80NO7P	729.567261	NA	HMDB2010	NA	NA
+HMDB10704	CerP(d18:1/24:0)	C42H84NO6P	729.603638	NA	HMDB2010	NA	NA
+MJ092306	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3-O-(4-Hydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092307	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-O-(4-Hydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092308	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092309	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092310	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-(3,4,5-Trihydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092311	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092312	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-(3,4,5-Trihydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092313	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan; 3-(3,4,5-Trihydroxybenzoyl) 	C37H30O16	730.153384	NA	MeJP	NA	NA
+MJ092314	Schizotenuin B2 	C37H30O16	730.153384	NA	MeJP	NA	NA
+PJ023332	GCCCCNE 	C23H38N8O11S4	730.1543	NA	PeJP	NA	NA
+PJ023333	CCCCNW 	C27H38N8O8S4	730.1696	NA	PeJP	NA	NA
+PJ023334	SSCCCND 	C23H38N8O13S3	730.1721	NA	PeJP	NA	NA
+FL3FACDS0016	Isorientin 4'-O-glucoside 2''-O-p-hydroxybenzoagte	C34H34O18	730.17451	67308-39-8	knapsack	NA	NA
+MJ092315	Isoorientin; 2''-O-(4-Hydroxybenzoyl), 4'-O-?-D-glucopyranoside 	C34H34O18	730.174514	NA	MeJP	NA	NA
+MJ092316	Isoquercitrin; O''-?-D-Glucopyranosyl, O''-benzoyl 	C34H34O18	730.174514	NA	MeJP	NA	NA
+MJ092317	Populnin; 3-O-(4-Hydroxybenzoyl-?-D-glucopyranoside) 	C34H34O18	730.174514	NA	MeJP	NA	NA
+PJ023335	CCDEMM 	C25H42N6O11S4	730.1795	NA	PeJP	NA	NA
+PJ023336	GSCCCQM 	C24H42N8O10S4	730.1907	NA	PeJP	NA	NA
+PJ023337	CCDDEF 	C28H38N6O13S2	730.1939	NA	PeJP	NA	NA
+PJ023338	CCCEHH 	C26H38N10O9S3	730.1986	NA	PeJP	NA	NA
+PJ023339	GSCCCCR 	C23H42N10O9S4	730.2019	NA	PeJP	NA	NA
+PJ023340	DDDDDH 	C26H34N8O17	730.2042	NA	PeJP	NA	NA
+MJ092318	D-glycero-L-manno-Heptose; ?-Pyranose-form, 1,2,3,4,6-Pentabenzoyl 	C42H34O12	730.205026	NA	MeJP	NA	NA
+PJ023341	CCNNDY 	C27H38N8O12S2	730.2051	NA	PeJP	NA	NA
+PJ023342	SSTCCCQ 	C24H42N8O12S3	730.2084	NA	PeJP	NA	NA
+PJ023343	SSSCCNM 	C24H42N8O12S3	730.2085	NA	PeJP	NA	NA
+PJ023344	SCDDEY 	C28H38N6O15S	730.2116	NA	PeJP	NA	NA
+PJ023345	PCCDMY 	C29H42N6O10S3	730.2125	NA	PeJP	NA	NA
+PJ023346	SCEMMM 	C26H46N6O10S4	730.2158	NA	PeJP	NA	NA
+PJ023347	CCNNMF 	C28H42N8O9S3	730.2237	NA	PeJP	NA	NA
+PJ023348	GSSSSTCC 	C24H42N8O14S2	730.2262	NA	PeJP	NA	NA
+PJ023349	GSCCCKM 	C25H46N8O9S4	730.2271	NA	PeJP	NA	NA
+PJ023350	GDDMMY 	C29H42N6O12S2	730.2302	NA	PeJP	NA	NA
+PJ023351	PCCMMF 	C30H46N6O7S4	730.2311	NA	PeJP	NA	NA
+PJ023352	CNNDEH 	C26H38N10O13S	730.2341	NA	PeJP	NA	NA
+PJ023353	GMMMMM 	C27H50N6O7S5	730.2345	NA	PeJP	NA	NA
+PJ023354	TCCMHH 	C27H42N10O8S3	730.235	NA	PeJP	NA	NA
+PJ023355	SDDEEH 	C27H38N8O16	730.2406	NA	PeJP	NA	NA
+PJ023356	SCNNMY 	C28H42N8O11S2	730.2415	NA	PeJP	NA	NA
+PJ023357	SSSSSSSC 	C24H42N8O16S	730.244	NA	PeJP	NA	NA
+PJ023358	GDDDFY 	C32H38N6O14	730.2446	NA	PeJP	NA	NA
+PJ023359	SSTCCCK 	C25H46N8O11S3	730.2448	NA	PeJP	NA	NA
+PJ023360	CEMYW 	C33H42N6O9S2	730.2455	NA	PeJP	NA	NA
+PJ023361	SSDEMY 	C29H42N6O14S	730.248	NA	PeJP	NA	NA
+PJ023362	SPCMMY 	C30H46N6O9S3	730.2489	NA	PeJP	NA	NA
+PJ023363	GCNDHW 	C30H38N10O10S	730.2493	NA	PeJP	NA	NA
+PJ023364	GGGCDHW 	C30H38N10O10S	730.2494	NA	PeJP	NA	NA
+PJ023365	GSSNDDH 	C26H38N10O15	730.2518	NA	PeJP	NA	NA
+PJ023366	GGGSSDDH 	C26H38N10O15	730.2519	NA	PeJP	NA	NA
+PJ023367	STMMMM 	C27H50N6O9S4	730.2522	NA	PeJP	NA	NA
+PJ023368	GSPCCQH 	C27H42N10O10S2	730.2527	NA	PeJP	NA	NA
+PJ023369	GSSSCQY 	C28H42N8O13S	730.2592	NA	PeJP	NA	NA
+PJ023370	GGGPPCDE 	C28H42N8O13S	730.2593	NA	PeJP	NA	NA
+PJ023371	CCCQKF 	C29H46N8O8S3	730.2601	NA	PeJP	NA	NA
+MJ092319	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) 	C40H42O13	730.262541	NA	MeJP	NA	NA
+MJ092320	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,Z-) 	C40H42O13	730.262541	NA	MeJP	NA	NA
+MJ092321	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(Z,E-) 	C40H42O13	730.262541	NA	MeJP	NA	NA
+MJ092322	3,3',4,7,9,9'-Hexahydroxy-8,4'-oxyneolignan, 3,3'-Di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) 	C40H42O13	730.262541	NA	MeJP	NA	NA
+MJ092323	Arctignan D; 7-Ketone 	C40H42O13	730.262541	NA	MeJP	NA	NA
+MJ092324	Herpetetrone 	C40H42O13	730.262541	NA	MeJP	NA	NA
+PJ023372	GPCEYY 	C33H42N6O11S	730.2633	NA	PeJP	NA	NA
+PJ023373	GTEMMY 	C30H46N6O11S2	730.2666	NA	PeJP	NA	NA
+PJ023374	GCMHHF 	C31H42N10O7S2	730.268	NA	PeJP	NA	NA
+PJ023375	SNNEMH 	C27H42N10O12S	730.2705	NA	PeJP	NA	NA
+PJ023376	EEMHW 	C32H42N8O10S	730.2745	NA	PeJP	NA	NA
+PJ023377	SSSSSNY 	C28H42N8O15	730.277	NA	PeJP	NA	NA
+PJ023378	SCCQKY 	C29H46N8O10S2	730.2778	NA	PeJP	NA	NA
+PJ023379	GGTCCKY 	C29H46N8O10S2	730.2779	NA	PeJP	NA	NA
+PJ023380	GDEHHH 	C29H38N12O11	730.2783	NA	PeJP	NA	NA
+PJ023381	PCYYW 	C37H42N6O8S	730.2785	NA	PeJP	NA	NA
+PJ023382	QEEYY 	C33H42N6O13	730.281	NA	PeJP	NA	NA
+PJ023383	SCNDHR 	C26H42N12O11S	730.2817	NA	PeJP	NA	NA
+PJ023384	TMMYW 	C34H46N6O8S2	730.2819	NA	PeJP	NA	NA
+MJ092325	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 2-Benzoyl, 10-(hydroxyacetyl), 4,7,9,13-tetra-Ac 	C37H46O15	730.28367	NA	MeJP	NA	NA
+MJ092326	Kansuinine A 	C37H46O15	730.28367	NA	MeJP	NA	NA
+MJ092327	Urdamycin A; 12b-De-O-glycosyl 	C37H46O15	730.28367	NA	MeJP	NA	NA
+PJ023385	STTEMY 	C30H46N6O13S	730.2844	NA	PeJP	NA	NA
+PJ023386	ATMMMF 	C31H50N6O8S3	730.2852	NA	PeJP	NA	NA
+PJ023387	GVMMMY 	C31H50N6O8S3	730.2853	NA	PeJP	NA	NA
+PJ023388	GSNMHW 	C31H42N10O9S	730.2857	NA	PeJP	NA	NA
+PJ023389	PNDDDR 	C27H42N10O14	730.2882	NA	PeJP	NA	NA
+PJ023390	GGGGGGASPD 	C27H42N10O14	730.2883	NA	PeJP	NA	NA
+PJ023391	GQQMMH 	C28H46N10O9S2	730.2891	NA	PeJP	NA	NA
+MJ092328	Pancuronium(2+); Dibromide 	C35H60Br2N2O4	730.291983	NA	MeJP	NA	NA
+PJ023392	DDRYY 	C32H42N8O12	730.2922	NA	PeJP	NA	NA
+PJ023393	GPNEEW 	C32H42N8O12	730.2923	NA	PeJP	NA	NA
+PJ023394	PPCMHF 	C33H46N8O7S2	730.2931	NA	PeJP	NA	NA
+PJ023395	DHHHW 	C33H38N12O8	730.2936	NA	PeJP	NA	NA
+PJ023396	GSSSCKY 	C29H46N8O12S	730.2956	NA	PeJP	NA	NA
+PJ023397	AEYYW 	C37H42N6O10	730.2963	NA	PeJP	NA	NA
+PJ023398	MMMRY 	C30H50N8O7S3	730.2965	NA	PeJP	NA	NA
+PJ023399	PTCHHH 	C30H42N12O8S	730.297	NA	PeJP	NA	NA
+PJ023400	NNNNQQ 	C26H42N12O13	730.2994	NA	PeJP	NA	NA
+PJ023401	GGNNNQQ 	C26H42N12O13	730.2995	NA	PeJP	NA	NA
+PJ023402	GPTMYY 	C34H46N6O10S	730.2996	NA	PeJP	NA	NA
+PJ023403	GCQMHR 	C27H46N12O8S2	730.3003	NA	PeJP	NA	NA
+PJ023404	PVEEEE 	C30H46N6O15	730.3022	NA	PeJP	NA	NA
+PJ023405	SSLMMY 	C31H50N6O10S2	730.303	NA	PeJP	NA	NA
+PJ023406	SSSQHW 	C31H42N10O11	730.3035	NA	PeJP	NA	NA
+MJ092329	4-Hydroxy-3,5-bis(3-methyl-2-butenyl)benzoic acid; 4-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside], ?-D-glucopyranosyl ester 	C34H50O17	730.3048	NA	MeJP	NA	NA
+PJ023407	SNDKMH 	C28H46N10O11S	730.3068	NA	PeJP	NA	NA
+PJ023408	GSPPCDR 	C28H46N10O11S	730.3069	NA	PeJP	NA	NA
+PJ023409	PNEWW 	C36H42N8O9	730.3075	NA	PeJP	NA	NA
+PJ023410	SPPNMW 	C33H46N8O9S	730.3109	NA	PeJP	NA	NA
+PJ023411	GCCHRR 	C26H46N14O7S2	730.3116	NA	PeJP	NA	NA
+PJ023412	PNDKEE 	C29H46N8O14	730.3134	NA	PeJP	NA	NA
+PJ023413	SCCKKY 	C30H50N8O9S2	730.3142	NA	PeJP	NA	NA
+PJ023414	ALEMMH 	C30H50N8O9S2	730.3143	NA	PeJP	NA	NA
+PJ023415	ATEHHH 	C30H42N12O10	730.3147	NA	PeJP	NA	NA
+PJ023416	CLFYW 	C38H46N6O7S	730.3149	NA	PeJP	NA	NA
+PJ023417	KEEYY 	C34H46N6O12	730.3174	NA	PeJP	NA	NA
+PJ023418	SSNMHR 	C27H46N12O10S	730.3181	NA	PeJP	NA	NA
+PJ023419	GVMMFF 	C35H50N6O7S2	730.3183	NA	PeJP	NA	NA
+PJ023420	NQHFW 	C35H42N10O8	730.3187	NA	PeJP	NA	NA
+PJ023421	GTCKHW 	C32H46N10O8S	730.3221	NA	PeJP	NA	NA
+PJ023422	GPWWW 	C40H42N8O6	730.3228	NA	PeJP	NA	NA
+PJ023423	SPNEER 	C28H46N10O13	730.3246	NA	PeJP	NA	NA
+PJ023424	PPCQMR 	C29H50N10O8S2	730.3255	NA	PeJP	NA	NA
+PJ023425	GPDKEW 	C33H46N8O11	730.3286	NA	PeJP	NA	NA
+PJ023426	GGAAPPDF 	C33H46N8O11	730.3287	NA	PeJP	NA	NA
+PJ023427	MMFFR 	C34H50N8O6S2	730.3295	NA	PeJP	NA	NA
+PJ023428	GPHHHF 	C34H42N12O7	730.33	NA	PeJP	NA	NA
+PJ023429	TTLEMH 	C30H50N8O11S	730.332	NA	PeJP	NA	NA
+PJ023430	SLYYW 	C38H46N6O9	730.3326	NA	PeJP	NA	NA
+PJ023431	GPTFFY 	C38H46N6O9	730.3327	NA	PeJP	NA	NA
+PJ023432	GLMHHH 	C31H46N12O7S	730.3334	NA	PeJP	NA	NA
+PJ023433	GSSSTHR 	C27H46N12O12	730.3358	NA	PeJP	NA	NA
+PJ023434	GGGGAQER 	C27H46N12O12	730.3359	NA	PeJP	NA	NA
+PJ023435	AALMYY 	C35H50N6O9S	730.336	NA	PeJP	NA	NA
+MJ092330	Amataine; 18-Oxo 	C43H46N4O7	730.336649	NA	MeJP	NA	NA
+PJ023436	PPCCRR 	C28H50N12O7S2	730.3367	NA	PeJP	NA	NA
+PJ023437	GSPERW 	C32H46N10O10	730.3399	NA	PeJP	NA	NA
+PJ023438	APQEMR 	C29H50N10O10S	730.3432	NA	PeJP	NA	NA
+PJ023439	GGPVDMR 	C29H50N10O10S	730.3433	NA	PeJP	NA	NA
+PJ023440	PDKWW 	C37H46N8O8	730.3439	NA	PeJP	NA	NA
+MJ092331	Neopluramycin 	C41H50N2O10	730.346545	NA	MeJP	NA	NA
+MJ092332	Pluramycin A; De-O-Ac 	C41H50N2O10	730.346545	NA	MeJP	NA	NA
+PJ023441	GNNDRR 	C26H46N14O11	730.3471	NA	PeJP	NA	NA
+PJ023442	GPLQMW 	C34H50N8O8S	730.3473	NA	PeJP	NA	NA
+PJ023443	SPPTTTQ 	C30H50N8O13	730.3497	NA	PeJP	NA	NA
+PJ023444	PTQKEE 	C30H50N8O13	730.3498	NA	PeJP	NA	NA
+PJ023445	SLLMMH 	C31H54N8O8S2	730.3506	NA	PeJP	NA	NA
+PJ023446	NQQRW 	C31H46N12O9	730.3511	NA	PeJP	NA	NA
+PJ023447	ATTLYY 	C35H50N6O11	730.3538	NA	PeJP	NA	NA
+PJ023448	GPDMRR 	C28H50N12O9S	730.3545	NA	PeJP	NA	NA
+PJ023449	SPRWW 	C36H46N10O7	730.3551	NA	PeJP	NA	NA
+MJ092333	Zaragozic acid B 	C39H54O13	730.356441	NA	MeJP	NA	NA
+PJ023450	PLLEEM 	C32H54N6O11S	730.3572	NA	PeJP	NA	NA
+PJ023451	AAPMRW 	C33H50N10O7S	730.3585	NA	PeJP	NA	NA
+MJ092334	Phospholipase A2 	C29H50N10O12	730.360967	NA	MeJP	NA	NA
+PJ023452	GLQEER 	C29H50N10O12	730.361	NA	PeJP	NA	NA
+PJ023453	PPCKMR 	C30H54N10O7S2	730.3619	NA	PeJP	NA	NA
+PJ023454	GPQHHR 	C30H46N14O8	730.3623	NA	PeJP	NA	NA
+PJ023455	APTKEW 	C34H50N8O10	730.365	NA	PeJP	NA	NA
+PJ023456	PVQKEM 	C31H54N8O10S	730.3684	NA	PeJP	NA	NA
+PJ023457	AALFFY 	C39H50N6O8	730.369	NA	PeJP	NA	NA
+MJ092335	Hibispeptin A 	C39H50N6O8	730.369012	NA	MeJP	NA	NA
+PJ023458	AAEERR 	C28H50N12O11	730.3722	NA	PeJP	NA	NA
+PJ023459	GGGGAKER 	C28H50N12O11	730.3723	NA	PeJP	NA	NA
+PJ023460	VLLEEE 	C32H54N6O13	730.3749	NA	PeJP	NA	NA
+PJ023461	LQERW 	C33H50N10O9	730.3762	NA	PeJP	NA	NA
+PJ023462	GALERW 	C33H50N10O9	730.3763	NA	PeJP	NA	NA
+PJ023463	APKEMR 	C30H54N10O9S	730.3796	NA	PeJP	NA	NA
+PJ023464	VLQWW 	C38H50N8O7	730.3803	NA	PeJP	NA	NA
+PJ023465	DERRR 	C27H50N14O10	730.3835	NA	PeJP	NA	NA
+PJ023466	GPLKMW 	C35H54N8O7S	730.3837	NA	PeJP	NA	NA
+PJ023467	LLNDKE 	C31H54N8O12	730.3861	NA	PeJP	NA	NA
+PJ023468	PTKKEE 	C31H54N8O12	730.3862	NA	PeJP	NA	NA
+PJ023469	PPKKMM 	C32H58N8O7S2	730.387	NA	PeJP	NA	NA
+PJ023470	VDRRW 	C32H50N12O8	730.3875	NA	PeJP	NA	NA
+PJ023471	PPLLEY 	C36H54N6O10	730.3902	NA	PeJP	NA	NA
+PJ023472	APTMRR 	C29H54N12O8S	730.3909	NA	PeJP	NA	NA
+PJ023473	ALRWW 	C37H50N10O6	730.3915	NA	PeJP	NA	NA
+MJ092336	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2,3-Di-O-acetyl-4,6-dideoxy-?-ribo-hexopyranoside) 	C40H58O12	730.392827	NA	MeJP	NA	NA
+MJ092337	Spirostane-2,3,5,6-tetrol, O2-Benzoyl, 3-O-?-D-glucopyranoside 	C40H58O12	730.392827	NA	MeJP	NA	NA
+PJ023474	GLKEER 	C30H54N10O11	730.3974	NA	PeJP	NA	NA
+PJ023475	GPKHHR 	C31H50N14O7	730.3987	NA	PeJP	NA	NA
+PJ023476	GVLKEW 	C35H54N8O9	730.4014	NA	PeJP	NA	NA
+PJ023477	PVKKEM 	C32H58N8O9S	730.4048	NA	PeJP	NA	NA
+PJ023478	GTLERR 	C29H54N12O10	730.4086	NA	PeJP	NA	NA
+MJ092338	3,3'-(Oxopropyl)dicoronaridine 	C45H54N4O5	730.40942	NA	MeJP	NA	NA
+MJ092339	Macrophylline 	C45H54N4O5	730.40942	NA	MeJP	NA	NA
+PJ023479	LKERW 	C34H54N10O8	730.4126	NA	PeJP	NA	NA
+PJ023480	GGGVKKW 	C34H54N10O8	730.4127	NA	PeJP	NA	NA
+MJ092340	Cholest-22-ene-3,6,8,15,16,26-hexol, 3,26-Di-O-?-D-xylopyranoside 	C37H62O14	730.413956	NA	MeJP	NA	NA
+PJ023481	SPLKMR 	C31H58N10O8S	730.416	NA	PeJP	NA	NA
+PJ023482	VLKWW 	C39H54N8O6	730.4167	NA	PeJP	NA	NA
+PJ023483	GSQKRR 	C28H54N14O9	730.4199	NA	PeJP	NA	NA
+PJ023484	VVKKEE 	C32H58N8O11	730.4225	NA	PeJP	NA	NA
+PJ023485	TLRRW 	C33H54N12O7	730.4239	NA	PeJP	NA	NA
+PJ023486	PLLLEF 	C37H58N6O9	730.4266	NA	PeJP	NA	NA
+PJ023487	GVLMRR 	C30H58N12O7S	730.4273	NA	PeJP	NA	NA
+PJ023488	LLLLEM 	C34H62N6O9S	730.4299	NA	PeJP	NA	NA
+PJ023489	SVLKER 	C31H58N10O10	730.4338	NA	PeJP	NA	NA
+PJ023490	PFRRR 	C32H54N14O6	730.4351	NA	PeJP	NA	NA
+PJ023491	ATLLKW 	C36H58N8O8	730.4378	NA	PeJP	NA	NA
+PJ023492	LMRRR 	C29H58N14O6S	730.4385	NA	PeJP	NA	NA
+PJ023493	VLLQKM 	C33H62N8O8S	730.4412	NA	PeJP	NA	NA
+MJ092341	Bacchalejin 1; 19-Acetoxy 	C45H62O8	730.444468	NA	MeJP	NA	NA
+PJ023494	SSLLRR 	C30H58N12O9	730.445	NA	PeJP	NA	NA
+PJ023495	AAKKKW 	C35H58N10O7	730.449	NA	PeJP	NA	NA
+MJ092342	Cholestane-3,6,8,15,24-pentol, 3-O-[2-O-Methyl-?-D-xylopyranoside], 24-O-?-L-arabinofuranoside 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092343	Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092344	Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092345	Cholestane-3,6,8,15,24-pentol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092346	Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-methyl-?-L-arabinofuranoside] 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092347	Cholestane-3,6,8,15,24-pentol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092348	Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-methyl-?-L-arabinofuranoside] 	C38H66O13	730.450342	NA	MeJP	NA	NA
+MJ092349	Cholestane-3,6,8,15,24-pentol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside 	C38H66O13	730.450342	NA	MeJP	NA	NA
+PJ023496	ALLKMR 	C32H62N10O7S	730.4524	NA	PeJP	NA	NA
+PJ023497	GSKKRR 	C29H58N14O8	730.4562	NA	PeJP	NA	NA
+PJ023498	TLLKKE 	C33H62N8O10	730.4589	NA	PeJP	NA	NA
+PJ023499	PLLLLY 	C38H62N6O8	730.4629	NA	PeJP	NA	NA
+MJ092350	21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7-(2R-Hydroxy-3-methyl-3E-pentenoyl), 11-(2R-hydroxy-3R-methylpentanoyl) 	C42H66O10	730.465598	NA	MeJP	NA	NA
+PJ023500	TTLLKR 	C32H62N10O9	730.4702	NA	PeJP	NA	NA
+PJ023501	PVLKKF 	C37H62N8O7	730.4742	NA	PeJP	NA	NA
+PJ023502	VLLKKM 	C34H66N8O7S	730.4776	NA	PeJP	NA	NA
+MJ092351	Mutadione A 	C46H66O7	730.480854	NA	MeJP	NA	NA
+MJ092352	Myxol; 2'-O-?-L-Quinovoside 	C46H66O7	730.480854	NA	MeJP	NA	NA
+MJ092353	Plectaniaxanthin, 1'-O-?-D-Glucopyranoside 	C46H66O7	730.480854	NA	MeJP	NA	NA
+MJ092354	Rhodopinol; 20-Aldehyde, 1-O-?-D-glucopyranoside 	C46H66O7	730.480854	NA	MeJP	NA	NA
+MJ092355	Saproxanthin; 1'-O-Glucoside 	C46H66O7	730.480854	NA	MeJP	NA	NA
+C15941	(3R,2'S)-Myxol 2'-alpha-L-fucoside	C46H66O7	730.4809	NA	KEGG	NA	NA
+C16271	Rhodopinal glucoside	C46H66O7	730.4809	NA	KEGG	NA	NA
+PJ023503	ATKKKR 	C31H62N12O8	730.4814	NA	PeJP	NA	NA
+PJ023504	LLLLLF 	C39H66N6O7	730.4993	NA	PeJP	NA	NA
+PJ023505	SLKKKK 	C33H66N10O8	730.5065	NA	PeJP	NA	NA
+MJ092356	1,2-Di-O-acylglycerols; Glycerol 1,2-dihexadecanoate, 3-O-?-D-Glucopyranoside 	C41H78O10	730.559498	NA	MeJP	NA	NA
+MJ092357	Manzamenone K 	C45H78O7	730.574754	NA	MeJP	NA	NA
+MetaCyc04082	ubiquinol-8 [ubiquinol(8);]	C49H78O4	730.590011	NA	metacyc	NA	NA
+HMDB01060	Ubiquinol 8	C49H78O4	730.590027	NA	HMDB2010	NA	NA
+HMDB01060	Ubiquinol	C49H78O4	730.59003	http://www.hmdb.ca/metabolites/HMDB01060	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01060	Ubiquinol	C49H78O4	730.59003	http://www.hmdb.ca/metabolites/HMDB01060	HMDB	NA	NA
+HMDB01060	Ubiquinol	C49H78O4	730.59003	http://www.hmdb.ca/metabolites/HMDB01060	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01060	Ubiquinol	C49H78O4	730.59003	HMDB01060	PFEM_hmdb_metabocards_official	NA	NA
+HMDB12088	SM(d18:0/18:1(11Z))	C41H83N2O6P	730.598877	NA	HMDB2010	NA	NA
+HMDB12089	SM(d18:0/18:1(9Z))	C41H83N2O6P	730.598877	NA	HMDB2010	NA	NA
+HMDB07442	DG(20:2(11Z,14Z)/24:1(15Z)/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07470	DG(20:3(5Z,8Z,11Z)/24:0/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07499	DG(20:3(8Z,11Z,14Z)/24:0/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07639	DG(22:1(13Z)/22:2(13Z,16Z)/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07667	DG(22:2(13Z,16Z)/22:1(13Z)/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07806	DG(24:0/20:3(5Z,8Z,11Z)/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07807	DG(24:0/20:3(8Z,11Z,14Z)/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+HMDB07834	DG(24:1(15Z)/20:2(11Z,14Z)/0:0)	C47H86O5	730.647522	NA	HMDB2010	NA	NA
+MJ092358	Amphiasterin A3 	C49H94O3	730.720296	NA	MeJP	NA	NA
+HMDB03036	Triiodothyronine sulfate	C15H12I3NO7S	730.746887	NA	HMDB2010	NA	NA
+HMDB03036	Triiodothyronine sulfate	C15H12I3NO7S	730.74689	http://www.hmdb.ca/metabolites/HMDB03036	HMDB	NA	NA
+HMDB03036	Triiodothyronine sulfate	C15H12I3NO7S	730.74689	HMDB03036	PFEM_hmdb_metabocards_official	NA	NA
+MJ092359	Ioseric acid 	C15H16I3N3O7	730.81223	NA	MeJP	NA	NA
+PJ023506	GCCCCDE 	C23H37N7O12S4	731.1383	NA	PeJP	NA	NA
+PJ023507	CCCCDW 	C27H37N7O9S4	731.1536	NA	PeJP	NA	NA
+PJ023508	SSCCCDD 	C23H37N7O14S3	731.1561	NA	PeJP	NA	NA
+PJ023509	PTCCCCC 	C24H41N7O9S5	731.157	NA	PeJP	NA	NA
+PJ023510	GSCCCEM 	C24H41N7O11S4	731.1747	NA	PeJP	NA	NA
+PJ023511	CCNDDY 	C27H37N7O13S2	731.1891	NA	PeJP	NA	NA
+PJ023512	SCCCMW 	C28H41N7O8S4	731.19	NA	PeJP	NA	NA
+PJ023513	SSSCCDM 	C24H41N7O13S3	731.1925	NA	PeJP	NA	NA
+PJ023514	CCNMMM 	C25H45N7O8S5	731.1933	NA	PeJP	NA	NA
+PJ023515	GGCCMMM 	C25H45N7O8S5	731.1934	NA	PeJP	NA	NA
+PJ023516	GSPCCCY 	C28H41N7O10S3	731.2077	NA	PeJP	NA	NA
+PJ023517	GSTCCMM 	C25H45N7O10S4	731.2111	NA	PeJP	NA	NA
+PJ023518	CNDDEH 	C26H37N9O14S	731.2181	NA	PeJP	NA	NA
+PJ023519	ACCCFW 	C32H41N7O7S3	731.223	NA	PeJP	NA	NA
+PJ023520	SCNDMY 	C28H41N7O12S2	731.2255	NA	PeJP	NA	NA
+PJ023521	SSSSCMM 	C25H45N7O12S3	731.2289	NA	PeJP	NA	NA
+PJ023522	GCDDHW 	C30H37N9O11S	731.2334	NA	PeJP	NA	NA
+PJ023523	GSSDDDH 	C26H37N9O16	731.2359	NA	PeJP	NA	NA
+PJ023524	GSPCCEH 	C27H41N9O11S2	731.2367	NA	PeJP	NA	NA
+PJ023525	GTCCYW 	C32H41N7O9S2	731.2407	NA	PeJP	NA	NA
+PJ023526	GSSSCEY 	C28H41N7O14S	731.2432	NA	PeJP	NA	NA
+PJ023527	GPPCDDE 	C28H41N7O14S	731.2433	NA	PeJP	NA	NA
+PJ023528	GCQMMY 	C29H45N7O9S3	731.2441	NA	PeJP	NA	NA
+PJ023529	CNNNMH 	C26H41N11O10S2	731.248	NA	PeJP	NA	NA
+PJ023530	SPCCHW 	C31H41N9O8S2	731.252	NA	PeJP	NA	NA
+PJ023531	SNDEMH 	C27H41N9O13S	731.2545	NA	PeJP	NA	NA
+PJ023532	GCCMRY 	C28H45N9O8S3	731.2554	NA	PeJP	NA	NA
+PJ023533	SSSCYW 	C32H41N7O11S	731.2585	NA	PeJP	NA	NA
+PJ023534	SSSSSDY 	C28H41N7O16	731.261	NA	PeJP	NA	NA
+PJ023535	SSNMMY 	C29H45N7O11S2	731.2619	NA	PeJP	NA	NA
+PJ023536	EEEYY 	C33H41N5O14	731.265	NA	PeJP	NA	NA
+PJ023537	SCDDHR 	C26H41N11O12S	731.2657	NA	PeJP	NA	NA
+PJ023538	GGGGGGGGGPC 	C26H41N11O12S	731.2658	NA	PeJP	NA	NA
+PJ023539	GSDMHW 	C31H41N9O10S	731.2697	NA	PeJP	NA	NA
+PJ023540	GSSSEEH 	C27H41N9O15	731.2722	NA	PeJP	NA	NA
+PJ023541	PDDDDR 	C27H41N9O15	731.2723	NA	PeJP	NA	NA
+PJ023542	STCCRY 	C28H45N9O10S2	731.2731	NA	PeJP	NA	NA
+PJ023543	CNFYW 	C36H41N7O8S	731.2737	NA	PeJP	NA	NA
+PJ023544	GGCFYW 	C36H41N7O8S	731.2738	NA	PeJP	NA	NA
+PJ023545	GPDEEW 	C32H41N7O13	731.2763	NA	PeJP	NA	NA
+PJ023546	GCQMFF 	C33H45N7O8S2	731.2771	NA	PeJP	NA	NA
+PJ023547	GSSSTMY 	C29H45N7O13S	731.2796	NA	PeJP	NA	NA
+PJ023548	GCKMMY 	C30H49N7O8S3	731.2805	NA	PeJP	NA	NA
+PJ023549	SSSSNNH 	C26H41N11O14	731.2835	NA	PeJP	NA	NA
+PJ023550	ACDMHR 	C27H45N11O9S2	731.2843	NA	PeJP	NA	NA
+PJ023551	GCEMHR 	C27H45N11O9S2	731.2844	NA	PeJP	NA	NA
+PJ023552	TCHWW 	C35H41N9O7S	731.285	NA	PeJP	NA	NA
+PJ023553	SSSEHW 	C31H41N9O12	731.2875	NA	PeJP	NA	NA
+PJ023554	QMMHW 	C32H45N9O7S2	731.2884	NA	PeJP	NA	NA
+PJ023555	STQEMH 	C28H45N9O12S	731.2909	NA	PeJP	NA	NA
+PJ023556	PDEWW 	C36H41N7O10	731.2915	NA	PeJP	NA	NA
+PJ023557	GNMHHH 	C29H41N13O8S	731.2922	NA	PeJP	NA	NA
+MJ092360	17-Hydroxydihydromyrsinol; 14-(3-Pyridinecarbonyl), 7-benzoyl, 3-propanoyl, 5,15-di-Ac 	C40H45NO12	731.294175	NA	MeJP	NA	NA
+MJ092361	19-Hydroxyingol; 8-(3-Pyridinecarbonyl), 7-(phenylacetyl), 3,12,19-tri-Ac 	C40H45NO12	731.294175	NA	MeJP	NA	NA
+PJ023558	SPPDMW 	C33H45N7O10S	731.2949	NA	PeJP	NA	NA
+PJ023559	SSSSTTY 	C29H45N7O15	731.2974	NA	PeJP	NA	NA
+PJ023560	STCKMY 	C30H49N7O10S2	731.2982	NA	PeJP	NA	NA
+PJ023561	PPQEMM 	C30H49N7O10S2	731.2983	NA	PeJP	NA	NA
+PJ023562	GNNNQW 	C30H41N11O11	731.2987	NA	PeJP	NA	NA
+PJ023563	GGGGGGGQW 	C30H41N11O11	731.2988	NA	PeJP	NA	NA
+PJ023564	CMHRW 	C31H45N11O6S2	731.2996	NA	PeJP	NA	NA
+PJ023565	SSDMHR 	C27H45N11O11S	731.3021	NA	PeJP	NA	NA
+PJ023566	DQHFW 	C35H41N9O9	731.3027	NA	PeJP	NA	NA
+PJ023567	NEHFW 	C35H41N9O9	731.3028	NA	PeJP	NA	NA
+PJ023568	GTTMHW 	C32H45N9O9S	731.3061	NA	PeJP	NA	NA
+MJ092362	Antibiotic SF 2111A 	C28H45N9O14	731.308597	NA	MeJP	NA	NA
+PJ023569	SPDEER 	C28H45N9O14	731.3086	NA	PeJP	NA	NA
+PJ023570	GGGGGGLEE 	C28H45N9O14	731.3087	NA	PeJP	NA	NA
+PJ023571	PPCEMR 	C29H49N9O9S2	731.3095	NA	PeJP	NA	NA
+PJ023572	SSQHHH 	C29H41N13O10	731.31	NA	PeJP	NA	NA
+PJ023573	GSDKYY 	C33H45N7O12	731.3126	NA	PeJP	NA	NA
+PJ023574	APTEEW 	C33H45N7O12	731.3127	NA	PeJP	NA	NA
+PJ023575	APPMMW 	C34H49N7O7S2	731.3135	NA	PeJP	NA	NA
+PJ023576	PVQEEM 	C30H49N7O12S	731.316	NA	PeJP	NA	NA
+PJ023577	GPCNRW 	C31H45N11O8S	731.3174	NA	PeJP	NA	NA
+PJ023578	GHFWW 	C39H41N9O6	731.318	NA	PeJP	NA	NA
+PJ023579	SNQQQQ 	C27H45N11O13	731.3198	NA	PeJP	NA	NA
+PJ023580	GNQEER 	C27H45N11O13	731.3199	NA	PeJP	NA	NA
+PJ023581	GTMMHR 	C28H49N11O8S2	731.3207	NA	PeJP	NA	NA
+MJ092363	Biphenomycin C 	C32H45N9O11	731.323853	NA	MeJP	NA	NA
+PJ023582	STTTHW 	C32H45N9O11	731.3239	NA	PeJP	NA	NA
+PJ023583	KMMHW 	C33H49N9O6S2	731.3247	NA	PeJP	NA	NA
+PJ023584	STKEMH 	C29H49N9O11S	731.3272	NA	PeJP	NA	NA
+PJ023585	APEEMR 	C29H49N9O11S	731.3273	NA	PeJP	NA	NA
+PJ023586	GPPEFW 	C37H45N7O9	731.3279	NA	PeJP	NA	NA
+PJ023587	ACKHHH 	C30H45N13O7S	731.3286	NA	PeJP	NA	NA
+MJ092364	Microginin T1 	C36H50ClN5O9	731.329705	NA	MeJP	NA	NA
+PJ023588	GNDDRR 	C26H45N13O12	731.3311	NA	PeJP	NA	NA
+PJ023589	GPLEMW 	C34H49N7O9S	731.3313	NA	PeJP	NA	NA
+PJ023590	PTKEEE 	C30H49N7O14	731.3338	NA	PeJP	NA	NA
+PJ023591	ASPPVMM 	C31H53N7O9S2	731.3346	NA	PeJP	NA	NA
+PJ023592	PPKEMM 	C31H53N7O9S2	731.3347	NA	PeJP	NA	NA
+PJ023593	NQERW 	C31H45N11O10	731.3351	NA	PeJP	NA	NA
+PJ023594	STTMHR 	C28H49N11O10S	731.3385	NA	PeJP	NA	NA
+PJ023595	VNQWW 	C36H45N9O8	731.3391	NA	PeJP	NA	NA
+MJ092365	Cyclotheonamide A 	C36H45N9O8	731.339109	NA	MeJP	NA	NA
+MJ092366	Pseudotheonamide A1 	C36H45N9O8	731.339109	NA	MeJP	NA	NA
+MJ092367	Pseudotheonamide C 	C36H45N9O8	731.339109	NA	MeJP	NA	NA
+PJ023596	GGGGLWW 	C36H45N9O8	731.3392	NA	PeJP	NA	NA
+HMDB06745	Digalactosyl-Ceramidesulfate	C31H57NO16S	731.33978	http://www.hmdb.ca/metabolites/HMDB06745	HMDB	NA	NA
+HMDB06745	Digalactosyl-Ceramidesulfate	C31H57NO16S	731.33978	HMDB06745	PFEM_hmdb_metabocards_official	NA	NA
+PJ023597	GPNKMW 	C33H49N9O8S	731.3425	NA	PeJP	NA	NA
+PJ023598	PPFWW 	C41H45N7O6	731.3432	NA	PeJP	NA	NA
+PJ023599	GLEEER 	C29H49N9O13	731.345	NA	PeJP	NA	NA
+PJ023600	PPTMMR 	C30H53N9O8S2	731.3459	NA	PeJP	NA	NA
+PJ023601	SSKHHH 	C30H45N13O9	731.3463	NA	PeJP	NA	NA
+PJ023602	GPEHHR 	C30H45N13O9	731.3464	NA	PeJP	NA	NA
+PJ023603	PLMWW 	C38H49N7O6S	731.3465	NA	PeJP	NA	NA
+PJ023604	GVLEEW 	C34H49N7O11	731.349	NA	PeJP	NA	NA
+PJ023605	SPCNRR 	C27H49N13O9S	731.3497	NA	PeJP	NA	NA
+PJ023606	GQRWW 	C35H45N11O7	731.3504	NA	PeJP	NA	NA
+PJ023607	PVKEEM 	C31H53N7O11S	731.3524	NA	PeJP	NA	NA
+PJ023608	AAMHFR 	C32H49N11O7S	731.3538	NA	PeJP	NA	NA
+PJ023609	GNKEER 	C28H49N11O12	731.3562	NA	PeJP	NA	NA
+PJ023610	GGGKEER 	C28H49N11O12	731.3563	NA	PeJP	NA	NA
+3645	stimulating g-interferon production peptide	RPQQPYPQPQPQ	731.357	MH2+	Inhouse_peptide	NA	peptide
+PJ023611	LEERW 	C33H49N9O10	731.3603	NA	PeJP	NA	NA
+PJ023612	PHHRW 	C34H45N13O6	731.3616	NA	PeJP	NA	NA
+PJ023613	SPLEMR 	C30H53N9O10S	731.3636	NA	PeJP	NA	NA
+PJ023614	GGPDKKM 	C30H53N9O10S	731.3637	NA	PeJP	NA	NA
+PJ023615	VLEWW 	C38H49N7O8	731.3643	NA	PeJP	NA	NA
+PJ023616	GSQERR 	C27H49N13O11	731.3675	NA	PeJP	NA	NA
+PJ023617	KKMYY 	C35H53N7O8S	731.3676	NA	PeJP	NA	NA
+PJ023618	SPVLMW 	C35H53N7O8S	731.3677	NA	PeJP	NA	NA
+PJ023619	VVKEEE 	C31H53N7O13	731.3702	NA	PeJP	NA	NA
+PJ023620	PLLQMM 	C32H57N7O8S2	731.371	NA	PeJP	NA	NA
+PJ023621	NKERW 	C32H49N11O9	731.3715	NA	PeJP	NA	NA
+PJ023622	SPNKMR 	C29H53N11O9S	731.3749	NA	PeJP	NA	NA
+PJ023623	VNKWW 	C37H49N9O7	731.3755	NA	PeJP	NA	NA
+PJ023624	APCKKW 	C34H53N9O7S	731.3789	NA	PeJP	NA	NA
+PJ023625	SVLEER 	C30H53N9O12	731.3814	NA	PeJP	NA	NA
+PJ023626	PVVMMR 	C31H57N9O7S2	731.3823	NA	PeJP	NA	NA
+PJ023627	SQRRW 	C31H49N13O8	731.3827	NA	PeJP	NA	NA
+PJ023628	ATLLEW 	C35H53N7O10	731.3854	NA	PeJP	NA	NA
+PJ023629	AAQMRR 	C28H53N13O8S	731.3861	NA	PeJP	NA	NA
+PJ023630	GKRWW 	C36H49N11O6	731.3868	NA	PeJP	NA	NA
+PJ023631	VLLQEM 	C32H57N7O10S	731.3888	NA	PeJP	NA	NA
+PJ023632	GDKKER 	C29H53N11O11	731.3926	NA	PeJP	NA	NA
+PJ023633	GGGGGATKK 	C29H53N11O11	731.3927	NA	PeJP	NA	NA
+PJ023634	SSPKKW 	C34H53N9O9	731.3966	NA	PeJP	NA	NA
+PJ023635	AAKKEW 	C34H53N9O9	731.3967	NA	PeJP	NA	NA
+PJ023636	NMRRR 	C27H53N15O7S	731.3973	NA	PeJP	NA	NA
+PJ023637	GGMRRR 	C27H53N15O7S	731.3974	NA	PeJP	NA	NA
+PJ023638	ALLEMR 	C31H57N9O9S	731.4	NA	PeJP	NA	NA
+PJ023639	GPLLFW 	C39H53N7O7	731.4007	NA	PeJP	NA	NA
+PJ023640	GSKERR 	C28H53N13O10	731.4039	NA	PeJP	NA	NA
+PJ023641	GLLLMW 	C36H57N7O7S	731.4041	NA	PeJP	NA	NA
+MJ092368	Tabernaelegantinine C 	C44H53N5O5	731.404669	NA	MeJP	NA	NA
+MJ092369	Tabernaelegantinine D 	C44H53N5O5	731.404669	NA	MeJP	NA	NA
+PJ023642	GSTLLLE 	C32H57N7O12	731.4065	NA	PeJP	NA	NA
+PJ023643	TLLKEE 	C32H57N7O12	731.4066	NA	PeJP	NA	NA
+PJ023644	PLLKMM 	C33H61N7O7S2	731.4074	NA	PeJP	NA	NA
+PJ023645	DKKRW 	C33H53N11O8	731.4079	NA	PeJP	NA	NA
+PJ023646	GLQKMR 	C30H57N11O8S	731.4113	NA	PeJP	NA	NA
+PJ023647	GSTRRR 	C27H53N15O9	731.4151	NA	PeJP	NA	NA
+PJ023648	TTLLER 	C31H57N9O11	731.4178	NA	PeJP	NA	NA
+PJ023649	SKRRW 	C32H53N13O7	731.4191	NA	PeJP	NA	NA
+PJ023650	STLLLW 	C36H57N7O9	731.4218	NA	PeJP	NA	NA
+PJ023651	AAKMRR 	C29H57N13O7S	731.4225	NA	PeJP	NA	NA
+PJ023652	VLLKEM 	C33H61N7O9S	731.4252	NA	PeJP	NA	NA
+PJ023653	ATKKER 	C30H57N11O10	731.429	NA	PeJP	NA	NA
+PJ023654	GTLKKW 	C35H57N9O8	731.433	NA	PeJP	NA	NA
+PJ023655	GGPVKKF 	C35H57N9O8	731.4331	NA	PeJP	NA	NA
+PJ023656	SLLLMR 	C32H61N9O8S	731.4364	NA	PeJP	NA	NA
+PJ023657	ATTKRR 	C29H57N13O9	731.4402	NA	PeJP	NA	NA
+PJ023658	SSVKRR 	C29H57N13O9	731.4403	NA	PeJP	NA	NA
+PJ023659	SSSLLLL 	C33H61N7O11	731.4429	NA	PeJP	NA	NA
+PJ023660	GPKKFR 	C34H57N11O7	731.4443	NA	PeJP	NA	NA
+MJ092370	Erythromycin; 11-Ketone 	C37H65NO13	731.445591	NA	MeJP	NA	NA
+MJ092371	Serratiomycin 	C38H61N5O9	731.446928	NA	MeJP	NA	NA
+MJ092372	Serrawettin W2 	C38H61N5O9	731.446928	NA	MeJP	NA	NA
+PJ023661	GLKKMR 	C31H61N11O7S	731.4476	NA	PeJP	NA	NA
+PJ023662	VVCKKR 	C31H61N11O7S	731.4477	NA	PeJP	NA	NA
+HMDB09195	PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	C41H66NO8P	731.452576	NA	HMDB2010	NA	NA
+PJ023663	SLKKKE 	C32H61N9O10	731.4542	NA	PeJP	NA	NA
+PJ023664	PVLLKY 	C37H61N7O8	731.4582	NA	PeJP	NA	NA
+C11054	Spinosyn A	C41H65NO10	731.4608	NA	KEGG	NA	NA
+MJ092373	Spinosyn; Spinosyn A 	C41H65NO10	731.460847	NA	MeJP	NA	NA
+MJ092374	Spinosyn; Spinosyn D, 2'-O-De-Me 	C41H65NO10	731.460847	NA	MeJP	NA	NA
+MJ092375	Spinosyn; Spinosyn D, 3'-O-De-Me 	C41H65NO10	731.460847	NA	MeJP	NA	NA
+MJ092376	Spinosyn; Spinosyn D, 4'-O-De-Me 	C41H65NO10	731.460847	NA	MeJP	NA	NA
+PJ023665	STLKKR 	C31H61N11O9	731.4654	NA	PeJP	NA	NA
+PJ023666	ALLLFR 	C36H61N9O7	731.4694	NA	PeJP	NA	NA
+PJ023667	VVKKKM 	C33H65N9O7S	731.4728	NA	PeJP	NA	NA
+HMDB12336	PS(14:0/18:2(9Z,12Z))	C38H70NO10P	731.473755	NA	HMDB2010	NA	NA
+HMDB12346	PS(14:1(9Z)/18:1(9Z))	C38H70NO10P	731.473755	NA	HMDB2010	NA	NA
+HMDB12366	PS(16:1(9Z)/16:1(9Z))	C38H70NO10P	731.473755	NA	HMDB2010	NA	NA
+HMDB12386	PS(18:1(9Z)/14:1(9Z))	C38H70NO10P	731.473755	NA	HMDB2010	NA	NA
+HMDB12396	PS(18:2(9Z,12Z)/14:0)	C38H70NO10P	731.473755	NA	HMDB2010	NA	NA
+MJ092377	Microcolin A; Deoxy 	C39H65N5O8	731.483314	NA	MeJP	NA	NA
+PJ023668	VLLLKF 	C38H65N7O7	731.4946	NA	PeJP	NA	NA
+EUR929	PC 32:1 monoisotopic mass 	C40H78NO8P	731.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR929	PC 32:1 monoisotopic mass 	C40H78NO8P	731.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR929	PC 32:1 monoisotopic mass 	C40H78NO8P	731.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR929	PC 32:1 monoisotopic mass 	C40H78NO8P	731.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07872	PC(14:0/18:1(11Z))	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB07873	PC(14:0/18:1(9Z))	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB07904	PC(14:1(9Z)/18:0)	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB07969	PC(16:0/16:1(9Z))	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB08001	PC(16:1(9Z)/16:0)	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB08032	PC(18:0/14:1(9Z))	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB08064	PC(18:1(11Z)/14:0)	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB08097	PC(18:1(9Z)/14:0)	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB08900	PE(15:0/20:1(11Z))	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB09252	PE(20:1(11Z)/15:0)	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+HMDB10569	PE-NMe(16:0/18:1(9Z))	C40H78NO8P	731.546509	NA	HMDB2010	NA	NA
+MJ092378	2-Amino-8-octadecene-1,3,4-triol, N-(2-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C40H77NO10	731.554747	NA	MeJP	NA	NA
+MJ092379	2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C40H77NO10	731.554747	NA	MeJP	NA	NA
+MJ092380	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(tryptophanylamino) 	C46H73N3O4	731.560107	NA	MeJP	NA	NA
+HMDB07962	PC(15:0/P-18:0)	C41H82NO7P	731.582886	NA	HMDB2010	NA	NA
+HMDB09016	PE(18:0/P-18:0)	C41H82NO7P	731.582886	NA	HMDB2010	NA	NA
+HMDB09246	PE(20:0/P-16:0)	C41H82NO7P	731.582886	NA	HMDB2010	NA	NA
+HMDB11238	PC(P-18:0/15:0)	C41H82NO7P	731.582886	NA	HMDB2010	NA	NA
+HMDB11347	PE(P-16:0/20:0)	C41H82NO7P	731.582886	NA	HMDB2010	NA	NA
+HMDB11373	PE(dm18:0/18:0)	C41H82NO7P	731.582886	NA	HMDB2010	NA	NA
+HMDB01348	SM(d18:1/18:0)	C41H84N2O6P	731.606689	NA	HMDB2010	NA	NA
+HMDB01348	Sphingomyelin SM(d18:1/18:0)	C41H84N2O6P	731.60669	http://www.hmdb.ca/metabolites/HMDB01348	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01348	Sphingomyelin SM(d18:1/18:0)	C41H84N2O6P	731.60669	http://www.hmdb.ca/metabolites/HMDB01348	HMDB	NA	NA
+HMDB01348	Sphingomyelin SM(d18:1/18:0)	C41H84N2O6P	731.60669	http://www.hmdb.ca/metabolites/HMDB01348	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01348	Sphingomyelin SM(d18:1/18:0)	C41H84N2O6P	731.60669	HMDB01348	PFEM_hmdb_metabocards_official	NA	NA
+EUR1074	SM(d18:1/18:0) monoisotopic mass 	C41H84N2O6P	731.606701	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1074	SM(d18:1/18:0) monoisotopic mass 	C41H84N2O6P	731.606701	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1074	SM(d18:1/18:0) monoisotopic mass 	C41H84N2O6P	731.606701	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1074	SM(d18:1/18:0) monoisotopic mass 	C41H84N2O6P	731.606701	masses lipides attendues	Inhousejuil11	NA	NA
+FL5FCCGSS001	Rhamnetin 3'-glucuronide-3,5,4'-trisulfate	C22H20O22S3	731.96083	55196-43-5	knapsack	NA	NA
+MJ092381	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3'-O-?-D-Glucuronopyranoside, 3,4',5-tri-O-sulfate 	C22H20O22S3	731.960834	NA	MeJP	NA	NA
+MJ092382	Oolongtheanin 	C36H28O17	732.132649	NA	MeJP	NA	NA
+PJ023669	GCCCCNM 	C23H40N8O9S5	732.1522	NA	PeJP	NA	NA
+PJ023670	SSCCCCQ 	C23H40N8O11S4	732.17	NA	PeJP	NA	NA
+PJ023671	CCDDDY 	C27H36N6O14S2	732.1731	NA	PeJP	NA	NA
+PJ023672	CCDMMM 	C25H44N6O9S5	732.1774	NA	PeJP	NA	NA
+PJ023673	GSSSSCCC 	C23H40N8O13S3	732.1877	NA	PeJP	NA	NA
+PJ023674	ACCCCCK 	C24H44N8O8S5	732.1886	NA	PeJP	NA	NA
+PJ023675	CCDDMF 	C28H40N6O11S3	732.1918	NA	PeJP	NA	NA
+PJ023676	CCCMHH 	C26H40N10O7S4	732.1965	NA	PeJP	NA	NA
+PJ023677	CDDDEH 	C26H36N8O15S	732.2021	NA	PeJP	NA	NA
+PJ023678	CCCNQY 	C27H40N8O10S3	732.203	NA	PeJP	NA	NA
+MJ092383	Julichrome Q1.3 	C38H36O15	732.20542	NA	MeJP	NA	NA
+PJ023679	SSCCCCK 	C24H44N8O10S4	732.2063	NA	PeJP	NA	NA
+PJ023680	SCDDMY 	C28H40N6O13S2	732.2095	NA	PeJP	NA	NA
+PJ023681	SCMMMM 	C26H48N6O8S5	732.2137	NA	PeJP	NA	NA
+PJ023682	GPCCCNH 	C26H40N10O9S3	732.2142	NA	PeJP	NA	NA
+MJ092384	Aeruginosin 98A; 3'-Dechloro, 3'-bromo 	C29H45BrN6O9S	732.21521	NA	MeJP	NA	NA
+MJ092385	Aeruginosin 98C 	C29H45BrN6O9S	732.21521	NA	MeJP	NA	NA
+PJ023683	GSSCCNY 	C27H40N8O12S2	732.2207	NA	PeJP	NA	NA
+PJ023684	GCEMMY 	C29H44N6O10S3	732.2281	NA	PeJP	NA	NA
+PJ023685	CNNDMH 	C26H40N10O11S2	732.232	NA	PeJP	NA	NA
+PJ023686	SDDEMH 	C27H40N8O14S	732.2385	NA	PeJP	NA	NA
+PJ023687	CCCNKY 	C28H44N8O9S3	732.2394	NA	PeJP	NA	NA
+PJ023688	GCDEFY 	C32H40N6O12S	732.2425	NA	PeJP	NA	NA
+PJ023689	CMMYW 	C33H44N6O7S3	732.2434	NA	PeJP	NA	NA
+PJ023690	PDDEEE 	C28H40N6O17	732.245	NA	PeJP	NA	NA
+PJ023691	SSDMMY 	C29H44N6O12S2	732.2459	NA	PeJP	NA	NA
+PJ023692	ACMMMF 	C30H48N6O7S4	732.2468	NA	PeJP	NA	NA
+PJ023693	GCCQHW 	C30H40N10O8S2	732.2472	NA	PeJP	NA	NA
+MJ092386	Wahlenoside B; Me ester 	C32H44O19	732.247679	NA	MeJP	NA	NA
+PJ023694	GSSCNEH 	C26H40N10O13S	732.2497	NA	PeJP	NA	NA
+PJ023695	GGGGGPCND 	C26H40N10O13S	732.2498	NA	PeJP	NA	NA
+MJ092387	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8-Bis(3-pyridinecarbonyl), 9-benzoyl, 1,14-di-Ac 	C38H40N2O13	732.253039	NA	MeJP	NA	NA
+MJ092388	Lyaloside; 6'-(4-Hydroxy-3,5-dimethoxycinnamoyl)(E-) 	C38H40N2O13	732.253039	NA	MeJP	NA	NA
+PJ023696	GCNNYY 	C31H40N8O11S	732.2537	NA	PeJP	NA	NA
+PJ023697	GGGCNYY 	C31H40N8O11S	732.2538	NA	PeJP	NA	NA
+PJ023698	GSPNDDE 	C27H40N8O16	732.2563	NA	PeJP	NA	NA
+PJ023699	GEEMMH 	C28H44N8O11S2	732.2571	NA	PeJP	NA	NA
+PJ023700	CDFYW 	C36H40N6O9S	732.2578	NA	PeJP	NA	NA
+PJ023701	PCCHHH 	C29H40N12O7S2	732.2585	NA	PeJP	NA	NA
+PJ023702	GSDEYY 	C32H40N6O14	732.2603	NA	PeJP	NA	NA
+PJ023703	GPCMYY 	C33H44N6O9S2	732.2611	NA	PeJP	NA	NA
+PJ023704	GCEMFF 	C33H44N6O9S2	732.2612	NA	PeJP	NA	NA
+MJ092389	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C36H44O16	732.262935	NA	MeJP	NA	NA
+PJ023705	GTMMMY 	C30H48N6O9S3	732.2645	NA	PeJP	NA	NA
+PJ023706	SSCNHW 	C30H40N10O10S	732.265	NA	PeJP	NA	NA
+PJ023707	SSSSNDH 	C26H40N10O15	732.2675	NA	PeJP	NA	NA
+MJ092390	8-Oxopseudopalmatine; 13,13'-Dimer 	C42H40N2O10	732.268295	NA	MeJP	NA	NA
+PJ023708	SCQQMH 	C27H44N10O10S2	732.2683	NA	PeJP	NA	NA
+PJ023709	SNNMMH 	C27H44N10O10S2	732.2684	NA	PeJP	NA	NA
+PJ023710	SPNDDW 	C31H40N8O13	732.2715	NA	PeJP	NA	NA
+PJ023711	EMMHW 	C32H44N8O8S2	732.2724	NA	PeJP	NA	NA
+PJ023712	STEEMH 	C28H44N8O13S	732.2749	NA	PeJP	NA	NA
+PJ023713	SDYYW 	C36H40N6O11	732.2755	NA	PeJP	NA	NA
+PJ023714	SPMMMH 	C29H48N8O8S3	732.2757	NA	PeJP	NA	NA
+PJ023715	GDMHHH 	C29H40N12O9S	732.2762	NA	PeJP	NA	NA
+PJ023716	CMFFW 	C37H44N6O6S2	732.2764	NA	PeJP	NA	NA
+MJ092391	2,3,5,7,8,15-Hexahydroxy-6(17),11-jatrophadiene-9,14-dione, 5,7-Dibenzoyl, 3,8,15-tri-Ac 	C40H44O13	732.278191	NA	MeJP	NA	NA
+MJ092392	Arctignan D 	C40H44O13	732.278191	NA	MeJP	NA	NA
+MJ092393	Arctignan E 	C40H44O13	732.278191	NA	MeJP	NA	NA
+MJ092394	Arctignan G 	C40H44O13	732.278191	NA	MeJP	NA	NA
+MJ092395	Shizukaol H; 3''-Deoxy 	C40H44O13	732.278191	NA	MeJP	NA	NA
+PJ023717	GSNNNNN 	C25H40N12O14	732.2787	NA	PeJP	NA	NA
+PJ023718	GGGGGGGGGSN 	C25H40N12O14	732.2788	NA	PeJP	NA	NA
+MJ092396	Aeruginosin 102A 	C33H44N6O11S	732.278876	NA	MeJP	NA	NA
+PJ023719	QEMYY 	C33H44N6O11S	732.2789	NA	PeJP	NA	NA
+PJ023720	SCCQHR 	C26H44N12O9S2	732.2796	NA	PeJP	NA	NA
+PJ023721	PTEEEE 	C29H44N6O16	732.2814	NA	PeJP	NA	NA
+PJ023722	STTMMY 	C30H48N6O11S2	732.2823	NA	PeJP	NA	NA
+PJ023723	GNNNEW 	C30H40N10O12	732.2827	NA	PeJP	NA	NA
+PJ023724	GGGNNEW 	C30H40N10O12	732.2828	NA	PeJP	NA	NA
+PJ023725	GCCKHW 	C31H44N10O7S2	732.2836	NA	PeJP	NA	NA
+MJ092397	3-Hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C33H48O18	732.284064	NA	MeJP	NA	NA
+MJ092398	Jaspofoliamoside A; 6'',7''-Didehydro(E-) 	C33H48O18	732.284064	NA	MeJP	NA	NA
+MJ092399	Picconioside I 	C33H48O18	732.284064	NA	MeJP	NA	NA
+PJ023726	PCNDER 	C27H44N10O12S	732.2861	NA	PeJP	NA	NA
+PJ023727	DEHFW 	C35H40N8O10	732.2868	NA	PeJP	NA	NA
+PJ023728	GPNEMW 	C32H44N8O10S	732.2901	NA	PeJP	NA	NA
+PJ023729	GGPVCDW 	C32H44N8O10S	732.2902	NA	PeJP	NA	NA
+PJ023730	AQQEEE 	C28H44N8O15	732.2926	NA	PeJP	NA	NA
+PJ023731	GGVNEEE 	C28H44N8O15	732.2927	NA	PeJP	NA	NA
+PJ023732	SVEMMH 	C29H48N8O10S2	732.2935	NA	PeJP	NA	NA
+PJ023733	SSEHHH 	C29H40N12O11	732.294	NA	PeJP	NA	NA
+PJ023734	AMYYW 	C37H44N6O8S	732.2941	NA	PeJP	NA	NA
+PJ023735	GPCFFY 	C37H44N6O8S	732.2942	NA	PeJP	NA	NA
+PJ023736	GTTEYY 	C33H44N6O13	732.2967	NA	PeJP	NA	NA
+PJ023737	GSSSCHR 	C26H44N12O11S	732.2973	NA	PeJP	NA	NA
+PJ023738	AAMMFY 	C34H48N6O8S2	732.2975	NA	PeJP	NA	NA
+PJ023739	NNNWW 	C34H40N10O9	732.298	NA	PeJP	NA	NA
+MJ092400	Meliacarpinin; 11-Methoxy, 1-tigloyl, 3,20-di-Ac 	C37H48O15	732.29932	NA	MeJP	NA	NA
+MJ092401	Meliacarpinin; 11-Methoxy, 3-tigloyl, 1,20-di-Ac 	C37H48O15	732.29932	NA	MeJP	NA	NA
+MJ092402	Prieurianin; 12-Deacyl, 12-(3-methylbutanoyl) 	C37H48O15	732.29932	NA	MeJP	NA	NA
+PJ023740	PVEEEM 	C30H48N6O13S	732.3	NA	PeJP	NA	NA
+PJ023741	GPCDRW 	C31H44N10O9S	732.3014	NA	PeJP	NA	NA
+PJ023742	GNEEER 	C27H44N10O14	732.3039	NA	PeJP	NA	NA
+PJ023743	GPPTCCR 	C28H48N10O9S2	732.3047	NA	PeJP	NA	NA
+PJ023744	GGTCKMH 	C28H48N10O9S2	732.3048	NA	PeJP	NA	NA
+PJ023745	PNMWW 	C36H44N8O7S	732.3054	NA	PeJP	NA	NA
+PJ023746	AAQEEW 	C32H44N8O12	732.3079	NA	PeJP	NA	NA
+PJ023747	PPCCKW 	C33H48N8O7S2	732.3088	NA	PeJP	NA	NA
+PJ023748	PNDKEM 	C29H48N8O12S	732.3113	NA	PeJP	NA	NA
+MJ092403	Amonabactin T 732 	C37H44N6O10	732.311891	NA	MeJP	NA	NA
+PJ023749	TTYYW 	C37H44N6O10	732.3119	NA	PeJP	NA	NA
+PJ023750	ALMMMH 	C30H52N8O7S3	732.3121	NA	PeJP	NA	NA
+PJ023751	GCNHFR 	C30H44N12O8S	732.3126	NA	PeJP	NA	NA
+PJ023752	GDDDRR 	C26H44N12O13	732.3151	NA	PeJP	NA	NA
+PJ023753	KEMYY 	C34H48N6O10S	732.3153	NA	PeJP	NA	NA
+PJ023754	SCCKHR 	C27H48N12O8S2	732.316	NA	PeJP	NA	NA
+PJ023755	VVEEEE 	C30H48N6O15	732.3178	NA	PeJP	NA	NA
+PJ023756	NEERW 	C31H44N10O11	732.3191	NA	PeJP	NA	NA
+PJ023757	GGGGGDKW 	C31H44N10O11	732.3192	NA	PeJP	NA	NA
+PJ023758	SPNEMR 	C28H48N10O11S	732.3225	NA	PeJP	NA	NA
+PJ023759	VNEWW 	C36H44N8O9	732.3231	NA	PeJP	NA	NA
+MJ092404	Antibiotic WIN 68577 	C36H44N8O9	732.323125	NA	MeJP	NA	NA
+PJ023760	GGVEWW 	C36H44N8O9	732.3232	NA	PeJP	NA	NA
+PJ023761	GPDKMW 	C33H48N8O9S	732.3265	NA	PeJP	NA	NA
+PJ023762	AFFYW 	C41H44N6O7	732.3272	NA	PeJP	NA	NA
+PJ023763	AQKEEE 	C29H48N8O14	732.329	NA	PeJP	NA	NA
+MJ092405	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, tetrabenzyl 	C45H48O9	732.329833	NA	MeJP	NA	NA
+PJ023764	TTLMMH 	C30H52N8O9S2	732.3299	NA	PeJP	NA	NA
+PJ023765	GSNNRW 	C30H44N12O10	732.3304	NA	PeJP	NA	NA
+PJ023766	AAMFFF 	C38H48N6O7S	732.3305	NA	PeJP	NA	NA
+PJ023767	GCLFFF 	C38H48N6O7S	732.3306	NA	PeJP	NA	NA
+PJ023768	SSTLYY 	C34H48N6O12	732.333	NA	PeJP	NA	NA
+PJ023769	PPVEEY 	C34H48N6O12	732.3331	NA	PeJP	NA	NA
+PJ023770	SPCDRR 	C27H48N12O10S	732.3337	NA	PeJP	NA	NA
+PJ023771	GGGGAQMR 	C27H48N12O10S	732.3338	NA	PeJP	NA	NA
+PJ023772	GERWW 	C35H44N10O8	732.3344	NA	PeJP	NA	NA
+PJ023773	GSPMRW 	C32H48N10O8S	732.3378	NA	PeJP	NA	NA
+PJ023774	GVWWW 	C40H44N8O6	732.3384	NA	PeJP	NA	NA
+PJ023775	SSSSTKH 	C28H48N10O13	732.3402	NA	PeJP	NA	NA
+PJ023776	GDKEER 	C28H48N10O13	732.3403	NA	PeJP	NA	NA
+PJ023777	APQMMR 	C29H52N10O8S2	732.3411	NA	PeJP	NA	NA
+PJ023778	LMHFW 	C37H48N8O6S	732.3418	NA	PeJP	NA	NA
+PJ023779	AAKEEW 	C33H48N8O11	732.3443	NA	PeJP	NA	NA
+PJ023780	GCNQRR 	C26H48N14O9S	732.345	NA	PeJP	NA	NA
+PJ023781	GVHHHF 	C34H44N12O7	732.3456	NA	PeJP	NA	NA
+PJ023782	SSSPPKM 	C30H52N8O11S	732.3476	NA	PeJP	NA	NA
+PJ023783	PTQKEM 	C30H52N8O11S	732.3477	NA	PeJP	NA	NA
+PJ023784	PKYYY 	C38H48N6O9	732.3483	NA	PeJP	NA	NA
+PJ023785	RWWW 	C39H44N10O5	732.3496	NA	PeJP	NA	NA
+MJ092406	Manassantin A 	C42H52O11	732.350962	NA	MeJP	NA	NA
+PJ023786	GSEERR 	C27H48N12O12	732.3515	NA	PeJP	NA	NA
+PJ023787	PPLEMF 	C35H52N6O9S	732.3517	NA	PeJP	NA	NA
+PJ023788	APCMRR 	C28H52N12O7S2	732.3524	NA	PeJP	NA	NA
+PJ023789	TLLEEE 	C31H52N6O14	732.3542	NA	PeJP	NA	NA
+PJ023790	PLLEMM 	C32H56N6O9S2	732.3551	NA	PeJP	NA	NA
+PJ023791	DKERW 	C32H48N10O10	732.3555	NA	PeJP	NA	NA
+PJ023792	HHHFR 	C33H44N14O6	732.3569	NA	PeJP	NA	NA
+PJ023793	GLQEMR 	C29H52N10O10S	732.3589	NA	PeJP	NA	NA
+PJ023794	VDKWW 	C37H48N8O8	732.3595	NA	PeJP	NA	NA
+MJ092407	Antibiotic SS 21020C 	C41H52N2O10	732.362195	NA	MeJP	NA	NA
+MJ092408	Rubiflavin C1; 14,16-Dihydro, 14-hydroxy 	C41H52N2O10	732.362195	NA	MeJP	NA	NA
+PJ023795	SSNNRR 	C26H48N14O11	732.3627	NA	PeJP	NA	NA
+PJ023796	APTKMW 	C34H52N8O8S	732.3629	NA	PeJP	NA	NA
+PJ023797	AKKEEE 	C30H52N8O13	732.3654	NA	PeJP	NA	NA
+PJ023798	PVQKMM 	C31H56N8O8S2	732.3663	NA	PeJP	NA	NA
+PJ023799	SERRW 	C31H48N12O9	732.3667	NA	PeJP	NA	NA
+PJ023800	TDRRW 	C31H48N12O9	732.3668	NA	PeJP	NA	NA
+PJ023801	PVLEEF 	C35H52N6O11	732.3694	NA	PeJP	NA	NA
+PJ023802	AAEMRR 	C28H52N12O9S	732.3701	NA	PeJP	NA	NA
+PJ023803	SVRWW 	C36H48N10O7	732.3708	NA	PeJP	NA	NA
+PJ023804	VLLEEM 	C32H56N6O11S	732.3728	NA	PeJP	NA	NA
+PJ023805	LQMRW 	C33H52N10O7S	732.3741	NA	PeJP	NA	NA
+PJ023806	GALMRW 	C33H52N10O7S	732.3742	NA	PeJP	NA	NA
+PJ023807	ATKEER 	C29H52N10O12	732.3766	NA	PeJP	NA	NA
+PJ023808	GGGGTKKE 	C29H52N10O12	732.3767	NA	PeJP	NA	NA
+PJ023809	APKMMR 	C30H56N10O7S2	732.3775	NA	PeJP	NA	NA
+PJ023810	GVQHHR 	C30H48N14O8	732.378	NA	PeJP	NA	NA
+PJ023811	GTLKEW 	C34H52N8O10	732.3807	NA	PeJP	NA	NA
+PJ023812	DMRRR 	C27H52N14O8S	732.3814	NA	PeJP	NA	NA
+PJ023813	PTKKEM 	C31H56N8O10S	732.384	NA	PeJP	NA	NA
+PJ023814	GGVLKEM 	C31H56N8O10S	732.3841	NA	PeJP	NA	NA
+PJ023815	LKFYY 	C39H52N6O8	732.3847	NA	PeJP	NA	NA
+PJ023816	CLRRW 	C32H52N12O6S	732.3854	NA	PeJP	NA	NA
+PJ023817	ATTERR 	C28H52N12O11	732.3879	NA	PeJP	NA	NA
+PJ023818	PPLLMY 	C36H56N6O8S	732.3881	NA	PeJP	NA	NA
+MJ092409	Undulatine 	C44H52N4O6	732.388685	NA	MeJP	NA	NA
+PJ023819	QHHRR 	C29H48N16O7	732.3892	NA	PeJP	NA	NA
+PJ023820	GTTLRW 	C33H52N10O9	732.3919	NA	PeJP	NA	NA
+MJ092410	2-Hydroxy-6-(16-hydroxyheptadecyl)benzoic acid, 16'-O-[(?-D-Mannopyranosyl)-(1?5)-D-mannonoyl] 	C36H60O15	732.393221	NA	MeJP	NA	NA
+PJ023821	GLKEMR 	C30H56N10O9S	732.3953	NA	PeJP	NA	NA
+PJ023822	TLKWW 	C38H52N8O7	732.3959	NA	PeJP	NA	NA
+PJ023823	GVLKMW 	C35H56N8O7S	732.3993	NA	PeJP	NA	NA
+PJ023824	SLKKEE 	C31H56N8O12	732.4018	NA	PeJP	NA	NA
+PJ023825	PVKKMM 	C32H60N8O7S2	732.4027	NA	PeJP	NA	NA
+PJ023826	AAPRRY 	C32H52N12O8	732.4031	NA	PeJP	NA	NA
+PJ023827	GGVVKHH 	C32H52N12O8	732.4032	NA	PeJP	NA	NA
+PJ023828	PVLLEY 	C36H56N6O10	732.4058	NA	PeJP	NA	NA
+PJ023829	GTLMRR 	C29H56N12O8S	732.4065	NA	PeJP	NA	NA
+PJ023830	PKFRW 	C37H52N10O6	732.4072	NA	PeJP	NA	NA
+C11957	Avermectin B2b monosaccharide	C40H60O12	732.4085	NA	KEGG	NA	NA
+PJ023831	LKMRW 	C34H56N10O6S	732.4105	NA	PeJP	NA	NA
+PJ023832	STLKER 	C30H56N10O11	732.413	NA	PeJP	NA	NA
+PJ023833	APPHRR 	C31H52N14O7	732.4144	NA	PeJP	NA	NA
+PJ023834	SSLLKW 	C35H56N8O9	732.417	NA	PeJP	NA	NA
+PJ023835	VVTTKW 	C35H56N8O9	732.4171	NA	PeJP	NA	NA
+PJ023836	VVKKEM 	C32H60N8O9S	732.4204	NA	PeJP	NA	NA
+PJ023837	PPLLFF 	C40H56N6O7	732.4211	NA	PeJP	NA	NA
+PJ023838	STTLRR 	C29H56N12O10	732.4243	NA	PeJP	NA	NA
+MJ092411	Patellin 1 	C37H60N6O7S	732.424418	NA	MeJP	NA	NA
+MJ092412	Patellin 2 	C37H60N6O7S	732.424418	NA	MeJP	NA	NA
+PJ023839	PLLLMF 	C37H60N6O7S	732.4245	NA	PeJP	NA	NA
+PJ023840	KHHRR 	C30H52N16O6	732.4256	NA	PeJP	NA	NA
+7016	synthetic peptide from alpha-gliadin	QILQQILQQQLI	732.426	MH2+	Inhouse_peptide	NA	peptide
+PJ023841	LLLLMM 	C34H64N6O7S2	732.4278	NA	PeJP	NA	NA
+PJ023842	GSKKKW 	C34H56N10O8	732.4283	NA	PeJP	NA	NA
+PJ023843	SVLKMR 	C31H60N10O8S	732.4317	NA	PeJP	NA	NA
+PJ023844	GTTTLLK 	C32H60N8O11	732.4382	NA	PeJP	NA	NA
+PJ023845	AALFRR 	C33H56N12O7	732.4395	NA	PeJP	NA	NA
+PJ023846	VLLLEF 	C37H60N6O9	732.4422	NA	PeJP	NA	NA
+PJ023847	ACKKKR 	C30H60N12O7S	732.4429	NA	PeJP	NA	NA
+PJ023848	SDKKKK 	C31H60N10O10	732.4494	NA	PeJP	NA	NA
+PJ023849	VFRRR 	C32H56N14O6	732.4508	NA	PeJP	NA	NA
+PJ023850	PVVKKY 	C36H60N8O8	732.4534	NA	PeJP	NA	NA
+PJ023851	GGVLLKF 	C36H60N8O8	732.4535	NA	PeJP	NA	NA
+PJ023852	TLLKKM 	C33H64N8O8S	732.4568	NA	PeJP	NA	NA
+MJ092413	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-(3-ethoxycarbonyl-2-hydroxypropanoyl) 	C45H64O8	732.460119	NA	MeJP	NA	NA
+PJ023853	SSKKKR 	C30H60N12O9	732.4606	NA	PeJP	NA	NA
+PJ023854	GLLKFR 	C35H60N10O7	732.4647	NA	PeJP	NA	NA
+PJ023855	AKKKKM 	C32H64N10O7S	732.468	NA	PeJP	NA	NA
+PJ023856	VLLLLY 	C38H64N6O8	732.4786	NA	PeJP	NA	NA
+MJ092414	2-Methyl-2-(polyprenylmethyl)-2H-1-benzopyran-6-ol; 2-(Heptaprenylmethyl)-2-methyl-2H-1-benzopyran-6-ol, Sulfate 	C46H68O5S	732.478745	NA	MeJP	NA	NA
+MJ092415	21,23-Epoxy-4,7,11-trihydroxy-3,4-secoapotirucalla-14,24-dien-3-oic acid, 7,11-Bis(2R-hydroxy-3R-methylpentanoyl) 	C42H68O10	732.481248	NA	MeJP	NA	NA
+MJ092416	Antibiotic C 076; Antibiotic C 076Ib 	C42H68O10	732.481248	NA	MeJP	NA	NA
+PJ023857	TTKKKK 	C32H64N10O9	732.4858	NA	PeJP	NA	NA
+PJ023858	VVLKKF 	C37H64N8O7	732.4898	NA	PeJP	NA	NA
+MJ092417	Mutadione A; 8'',9''-Dihydro 	C46H68O7	732.496504	NA	MeJP	NA	NA
+HMDB12087	SM(d18:0/18:0)	C41H85N2O6P	732.614502	NA	HMDB2010	NA	NA
+EUR1044	SM(d18:0/18:0) monoisotopic mass 	C41H85N2O6P	732.614526	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1044	SM(d18:0/18:0) monoisotopic mass 	C41H85N2O6P	732.614526	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1044	SM(d18:0/18:0) monoisotopic mass 	C41H85N2O6P	732.614526	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1044	SM(d18:0/18:0) monoisotopic mass 	C41H85N2O6P	732.614526	masses lipides attendues	Inhousejuil11	NA	NA
+MJ092418	Archaeol; 1-O-Phosphate 	C43H89O6P	732.639677	NA	MeJP	NA	NA
+HMDB07413	DG(20:1(11Z)/24:1(15Z)/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+HMDB07441	DG(20:2(11Z,14Z)/24:0/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+HMDB07610	DG(22:0/22:2(13Z,16Z)/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+HMDB07638	DG(22:1(13Z)/22:1(13Z)/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+HMDB07666	DG(22:2(13Z,16Z)/22:0/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+HMDB07805	DG(24:0/20:2(11Z,14Z)/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+HMDB07833	DG(24:1(15Z)/20:1(11Z)/0:0)	C47H88O5	732.663147	NA	HMDB2010	NA	NA
+MJ092419	1-Hexacosanol; Tetracosanoyl 	C50H100O2	732.772332	NA	MeJP	NA	NA
+MJ092420	1-Tetratriacontanol; Hexadecanoyl 	C50H100O2	732.772332	NA	MeJP	NA	NA
+MJ092421	23-(5-Hydroxypentyl)-22-pentatetracontanone 	C50H100O2	732.772332	NA	MeJP	NA	NA
+5449	caeridin 2	GLLDVVGNLLGGLGLG	732.9179	MH2+	Inhouse_peptide	NA	peptide
+PJ023859	PCCCCCC 	C23H39N7O8S6	733.1185	NA	PeJP	NA	NA
+PJ023860	GCCCCDM 	C23H39N7O10S5	733.1362	NA	PeJP	NA	NA
+PJ023861	SSCCCCE 	C23H39N7O12S4	733.154	NA	PeJP	NA	NA
+PJ023862	GSCCCMM 	C24H43N7O9S5	733.1726	NA	PeJP	NA	NA
+PJ023863	CCCNEY 	C27H39N7O11S3	733.187	NA	PeJP	NA	NA
+PJ023864	SSTCCCM 	C24H43N7O11S4	733.1904	NA	PeJP	NA	NA
+PJ023865	GPCCCDH 	C26H39N9O10S3	733.1982	NA	PeJP	NA	NA
+PJ023866	GCCCYW 	C31H39N7O8S3	733.2023	NA	PeJP	NA	NA
+PJ023867	GSSCCDY 	C27H39N7O13S2	733.2048	NA	PeJP	NA	NA
+PJ023868	CCCQMF 	C28H43N7O8S4	733.2056	NA	PeJP	NA	NA
+PJ023869	CNDDMH 	C26H39N9O12S2	733.216	NA	PeJP	NA	NA
+PJ023870	CCCCFR 	C27H43N9O7S4	733.2169	NA	PeJP	NA	NA
+PJ023871	SCCQMY 	C28H43N7O10S3	733.2234	NA	PeJP	NA	NA
+PJ023872	GSCCNNH 	C25H39N11O11S2	733.2272	NA	PeJP	NA	NA
+PJ023873	ACCDHW 	C30H39N9O9S2	733.2312	NA	PeJP	NA	NA
+PJ023874	GCCEHW 	C30H39N9O9S2	733.2313	NA	PeJP	NA	NA
+PJ023875	ASSCDDH 	C26H39N9O14S	733.2337	NA	PeJP	NA	NA
+PJ023876	GSSCDEH 	C26H39N9O14S	733.2338	NA	PeJP	NA	NA
+PJ023877	SCCCRY 	C27H43N9O9S3	733.2346	NA	PeJP	NA	NA
+PJ023878	GCNDYY 	C31H39N7O12S	733.2378	NA	PeJP	NA	NA
+PJ023879	GSPDDDE 	C27H39N7O17	733.2403	NA	PeJP	NA	NA
+PJ023880	GSSSCMY 	C28H43N7O12S2	733.2411	NA	PeJP	NA	NA
+PJ023881	GPPCDDM 	C28H43N7O12S2	733.2412	NA	PeJP	NA	NA
+PJ023882	CCCKMF 	C29H47N7O7S4	733.242	NA	PeJP	NA	NA
+PJ023883	CCHWW 	C34H39N9O6S2	733.2465	NA	PeJP	NA	NA
+MJ092422	Haplosamate A; 7-Sulfate 	C29H51NO14S3	733.247167	NA	MeJP	NA	NA
+PJ023884	SSCDHW 	C30H39N9O11S	733.249	NA	PeJP	NA	NA
+PJ023885	SSSSDDH 	C26H39N9O16	733.2515	NA	PeJP	NA	NA
+PJ023886	SNDMMH 	C27H43N9O11S2	733.2524	NA	PeJP	NA	NA
+PJ023887	SPDDDW 	C31H39N7O14	733.2555	NA	PeJP	NA	NA
+PJ023888	PPCCEW 	C32H43N7O9S2	733.2564	NA	PeJP	NA	NA
+PJ023889	SSSSTCY 	C28H43N7O14S	733.2589	NA	PeJP	NA	NA
+PJ023890	SCCKMY 	C29H47N7O9S3	733.2598	NA	PeJP	NA	NA
+PJ023891	GSNNNND 	C25H39N11O15	733.2627	NA	PeJP	NA	NA
+PJ023892	GGGGGSNND 	C25H39N11O15	733.2628	NA	PeJP	NA	NA
+PJ023893	EEMYY 	C33H43N5O12S	733.2629	NA	PeJP	NA	NA
+MJ092423	Latindine 	C41H39N3O10	733.263544	NA	MeJP	NA	NA
+PJ023894	SCCEHR 	C26H43N11O10S2	733.2636	NA	PeJP	NA	NA
+PJ023895	GNNDEW 	C30H39N9O13	733.2668	NA	PeJP	NA	NA
+PJ023896	GTCMHW 	C31H43N9O8S2	733.2676	NA	PeJP	NA	NA
+PJ023897	PCDDER 	C27H43N9O13S	733.2701	NA	PeJP	NA	NA
+PJ023898	GGGGGSPDM 	C27H43N9O13S	733.2702	NA	PeJP	NA	NA
+PJ023899	GQMMMH 	C28H47N9O8S3	733.271	NA	PeJP	NA	NA
+PJ023900	SCNHHH 	C28H39N13O9S	733.2715	NA	PeJP	NA	NA
+PJ023901	GSNMYY 	C32H43N7O11S	733.2741	NA	PeJP	NA	NA
+PJ023902	GPDEMW 	C32H43N7O11S	733.2742	NA	PeJP	NA	NA
+PJ023903	AQEEEE 	C28H43N7O16	733.2767	NA	PeJP	NA	NA
+PJ023904	GSPPDMM 	C29H47N7O11S2	733.2775	NA	PeJP	NA	NA
+PJ023905	PNDDHH 	C29H39N11O12	733.278	NA	PeJP	NA	NA
+PJ023906	NNNNQM 	C26H43N11O12S	733.2814	NA	PeJP	NA	NA
+PJ023907	NNDWW 	C34H39N9O10	733.282	NA	PeJP	NA	NA
+PJ023908	GCMMHR 	C27H47N11O7S3	733.2822	NA	PeJP	NA	NA
+PJ023909	SSSMHW 	C31H43N9O10S	733.2854	NA	PeJP	NA	NA
+PJ023910	GDEEER 	C27H43N9O15	733.2879	NA	PeJP	NA	NA
+PJ023911	STQMMH 	C28H47N9O10S2	733.2887	NA	PeJP	NA	NA
+PJ023912	TTNMMH 	C28H47N9O10S2	733.2888	NA	PeJP	NA	NA
+PJ023913	PDMWW 	C36H43N7O8S	733.2894	NA	PeJP	NA	NA
+PJ023914	AAEEEW 	C32H43N7O13	733.2919	NA	PeJP	NA	NA
+PJ023915	CNNNNR 	C25H43N13O11S	733.2926	NA	PeJP	NA	NA
+PJ023916	PPTCMW 	C33H47N7O8S2	733.2928	NA	PeJP	NA	NA
+MJ092424	Antibiotic YL 01641P-B2 	C36H47NO15	733.294569	NA	MeJP	NA	NA
+PJ023917	PTQEEM 	C29H47N7O13S	733.2953	NA	PeJP	NA	NA
+PJ023918	PEYYY 	C37H43N5O11	733.2959	NA	PeJP	NA	NA
+PJ023919	PPQMMM 	C30H51N7O8S3	733.2962	NA	PeJP	NA	NA
+PJ023920	GCDHFR 	C30H43N11O9S	733.2966	NA	PeJP	NA	NA
+PJ023921	SNNDER 	C26H43N11O14	733.2991	NA	PeJP	NA	NA
+PJ023922	GGGGGGGGGTT 	C26H43N11O14	733.2992	NA	PeJP	NA	NA
+PJ023923	STCMHR 	C27H47N11O9S2	733.3	NA	PeJP	NA	NA
+PJ023924	NMHFW 	C35H43N9O7S	733.3006	NA	PeJP	NA	NA
+PJ023925	GGMHFW 	C35H43N9O7S	733.3007	NA	PeJP	NA	NA
+PJ023926	GSQQEW 	C31H43N9O12	733.3031	NA	PeJP	NA	NA
+PJ023927	DEERW 	C31H43N9O12	733.3032	NA	PeJP	NA	NA
+PJ023928	PCCKHF 	C32H47N9O7S2	733.304	NA	PeJP	NA	NA
+PJ023929	SPDEMR 	C28H47N9O12S	733.3065	NA	PeJP	NA	NA
+PJ023930	VDEWW 	C36H43N7O10	733.3072	NA	PeJP	NA	NA
+PJ023931	PPCMMR 	C29H51N9O7S3	733.3074	NA	PeJP	NA	NA
+C16523	3'-N-Debenzoyl-2'-deoxytaxol	C40H47NO12	733.3098	NA	KEGG	NA	NA
+PJ023932	APTEMW 	C33H47N7O10S	733.3105	NA	PeJP	NA	NA
+PJ023933	SLQEEE 	C29H47N7O15	733.313	NA	PeJP	NA	NA
+PJ023934	AKEEEE 	C29H47N7O15	733.3131	NA	PeJP	NA	NA
+PJ023935	PVQEMM 	C30H51N7O10S2	733.3139	NA	PeJP	NA	NA
+PJ023936	GSNDRW 	C30H43N11O11	733.3144	NA	PeJP	NA	NA
+PJ023937	ANNEMR 	C27H47N11O11S	733.3177	NA	PeJP	NA	NA
+PJ023938	GNQEMR 	C27H47N11O11S	733.3178	NA	PeJP	NA	NA
+PJ023939	SQQWW 	C35H43N9O9	733.3184	NA	PeJP	NA	NA
+PJ023940	AAQQMW 	C32H47N9O9S	733.3218	NA	PeJP	NA	NA
+PJ023941	ATEEER 	C28H47N9O14	733.3243	NA	PeJP	NA	NA
+PJ023942	APEMMR 	C29H51N9O9S2	733.3251	NA	PeJP	NA	NA
+PJ023943	PVCEMR 	C29H51N9O9S2	733.3252	NA	PeJP	NA	NA
+PJ023944	GQQQHH 	C29H43N13O10	733.3256	NA	PeJP	NA	NA
+PJ023945	GPPMFW 	C37H47N7O7S	733.3258	NA	PeJP	NA	NA
+PJ023946	GTLEEW 	C33H47N7O12	733.3283	NA	PeJP	NA	NA
+PJ023947	GCNERR 	C26H47N13O10S	733.329	NA	PeJP	NA	NA
+PJ023948	GPLMMW 	C34H51N7O7S2	733.3292	NA	PeJP	NA	NA
+PJ023949	GPTHHW 	C34H43N11O8	733.3296	NA	PeJP	NA	NA
+MJ092425	[[4'-[[4-Ethyl-5-[1-oxo-3-[(1-oxobutyl)-3-pyridinylamino]propyl]-2-propyl-1H-imidazol-1-yl]methyl]-3'-fluoro[1,1'-biphenyl]-2-yl]sulfonyl]carbamic acid; 3-Methylbutyl ester 	C39H48FN5O6S	733.330933	NA	MeJP	NA	NA
+PJ023950	PTKEEM 	C30H51N7O12S	733.3317	NA	PeJP	NA	NA
+PJ023951	LEFYY 	C38H47N5O10	733.3323	NA	PeJP	NA	NA
+PJ023952	PPKMMM 	C31H55N7O7S3	733.3325	NA	PeJP	NA	NA
+PJ023953	NQMRW 	C31H47N11O8S	733.333	NA	PeJP	NA	NA
+PJ023954	HHFFF 	C39H43N9O6	733.3337	NA	PeJP	NA	NA
+PJ023955	SSQQER 	C27H47N11O13	733.3355	NA	PeJP	NA	NA
+PJ023956	PCCQKR 	C28H51N11O8S2	733.3364	NA	PeJP	NA	NA
+PJ023957	GNNHHR 	C28H43N15O9	733.3369	NA	PeJP	NA	NA
+PJ023958	GSQKEW 	C32H47N9O11	733.3395	NA	PeJP	NA	NA
+PJ023959	GGGGGGPLY 	C32H47N9O11	733.3396	NA	PeJP	NA	NA
+PJ023960	GLEEMR 	C29H51N9O11S	733.3429	NA	PeJP	NA	NA
+PJ023961	TLEWW 	C37H47N7O9	733.3435	NA	PeJP	NA	NA
+PJ023962	GPVEFW 	C37H47N7O9	733.3436	NA	PeJP	NA	NA
+PJ023963	CNRRW 	C30H47N13O7S	733.3442	NA	PeJP	NA	NA
+PJ023964	GGCRRW 	C30H47N13O7S	733.3443	NA	PeJP	NA	NA
+PJ023965	SSNDRR 	C26H47N13O12	733.3467	NA	PeJP	NA	NA
+PJ023966	GVLEMW 	C34H51N7O9S	733.3469	NA	PeJP	NA	NA
+PJ023967	SLKEEE 	C30H51N7O14	733.3494	NA	PeJP	NA	NA
+PJ023968	PVKEMM 	C31H55N7O9S2	733.3503	NA	PeJP	NA	NA
+PJ023969	GSTQRW 	C31H47N11O10	733.3508	NA	PeJP	NA	NA
+PJ023970	GNKEMR 	C28H51N11O10S	733.3541	NA	PeJP	NA	NA
+PJ023971	GGGGSLMR 	C28H51N11O10S	733.3542	NA	PeJP	NA	NA
+PJ023972	SQKWW 	C36H47N9O8	733.3548	NA	PeJP	NA	NA
+2706	erythromycin inhibitor	MNWKR	733.3573	NA	Inhouse_peptide	NA	peptide
+PJ023973	LEMRW 	C33H51N9O8S	733.3582	NA	PeJP	NA	NA
+PJ023974	PVFWW 	C41H47N7O6	733.3588	NA	PeJP	NA	NA
+PJ023975	SSSPTQK 	C29H51N9O13	733.3606	NA	PeJP	NA	NA
+PJ023976	STLEER 	C29H51N9O13	733.3607	NA	PeJP	NA	NA
+PJ023977	SPLMMR 	C30H55N9O8S2	733.3615	NA	PeJP	NA	NA
+PJ023978	GVEHHR 	C30H47N13O9	733.362	NA	PeJP	NA	NA
+PJ023979	VLMWW 	C38H51N7O6S	733.3622	NA	PeJP	NA	NA
+PJ023980	SSLLEW 	C34H51N7O11	733.3647	NA	PeJP	NA	NA
+PJ023981	GSQMRR 	C27H51N13O9S	733.3654	NA	PeJP	NA	NA
+PJ023982	AALHHW 	C35H47N11O7	733.366	NA	PeJP	NA	NA
+PJ023983	SSSPLLM 	C31H55N7O11S	733.368	NA	PeJP	NA	NA
+PJ023984	VVKEEM 	C31H55N7O11S	733.3681	NA	PeJP	NA	NA
+PJ023985	LLYYY 	C39H51N5O9	733.3687	NA	PeJP	NA	NA
+PJ023986	NKMRW 	C32H51N11O7S	733.3694	NA	PeJP	NA	NA
+PJ023987	SSQKER 	C28H51N11O12	733.3719	NA	PeJP	NA	NA
+PJ023988	PCCKKR 	C29H55N11O7S2	733.3728	NA	PeJP	NA	NA
+PJ023989	EHHRR 	C29H47N15O8	733.3732	NA	PeJP	NA	NA
+PJ023990	GSKKEW 	C33H51N9O10	733.3759	NA	PeJP	NA	NA
+PJ023991	GSCRRR 	C26H51N15O8S	733.3766	NA	PeJP	NA	NA
+PJ023992	VHHRW 	C34H47N13O6	733.3773	NA	PeJP	NA	NA
+PJ023993	SVLEMR 	C30H55N9O10S	733.3793	NA	PeJP	NA	NA
+PJ023994	GPVLYW 	C38H51N7O8	733.3799	NA	PeJP	NA	NA
+PJ023995	GGPPLFF 	C38H51N7O8	733.38	NA	PeJP	NA	NA
+PJ023996	SSTQRR 	C27H51N13O11	733.3831	NA	PeJP	NA	NA
+PJ023997	ATLLMW 	C35H55N7O8S	733.3833	NA	PeJP	NA	NA
+PJ023998	GTTTLLE 	C31H55N7O13	733.3858	NA	PeJP	NA	NA
+PJ023999	VLLQMM 	C32H59N7O8S2	733.3867	NA	PeJP	NA	NA
+PJ024000	ASSKRW 	C32H51N11O9	733.3871	NA	PeJP	NA	NA
+PJ024001	GSTKRW 	C32H51N11O9	733.3872	NA	PeJP	NA	NA
+PJ024002	GDKKMR 	C29H55N11O9S	733.3905	NA	PeJP	NA	NA
+PJ024003	SKKWW 	C37H51N9O7	733.3912	NA	PeJP	NA	NA
+PJ024004	AAKKMW 	C34H55N9O7S	733.3946	NA	PeJP	NA	NA
+PJ024005	SDKKKE 	C30H55N9O12	733.397	NA	PeJP	NA	NA
+PJ024006	GSSVKKE 	C30H55N9O12	733.3971	NA	PeJP	NA	NA
+PJ024007	ALLMMR 	C31H59N9O7S2	733.3979	NA	PeJP	NA	NA
+PJ024008	QQFRR 	C31H51N13O8	733.3984	NA	PeJP	NA	NA
+PJ024009	TTTLLW 	C35H55N7O10	733.4011	NA	PeJP	NA	NA
+PJ024010	GSKMRR 	C28H55N13O8S	733.4018	NA	PeJP	NA	NA
+PJ024011	KHFFR 	C36H51N11O6	733.4024	NA	PeJP	NA	NA
+PJ024012	TLLKEM 	C32H59N7O10S	733.4044	NA	PeJP	NA	NA
+PJ024013	SSKKER 	C29H55N11O11	733.4083	NA	PeJP	NA	NA
+PJ024014	ATTKKW 	C34H55N9O9	733.4123	NA	PeJP	NA	NA
+PJ024015	TTLLMR 	C31H59N9O9S	733.4157	NA	PeJP	NA	NA
+PJ024016	GVLLFW 	C39H55N7O7	733.4163	NA	PeJP	NA	NA
+PJ024017	SSTKRR 	C28H55N13O10	733.4195	NA	PeJP	NA	NA
+PJ024018	PVLKMF 	C36H59N7O7S	733.4197	NA	PeJP	NA	NA
+PJ024019	SSTTLLL 	C32H59N7O12	733.4222	NA	PeJP	NA	NA
+PJ024020	VLLKMM 	C33H63N7O7S2	733.4231	NA	PeJP	NA	NA
+PJ024021	GVQKFR 	C33H55N11O8	733.4235	NA	PeJP	NA	NA
+PJ024022	GGGLKFR 	C33H55N11O8	733.4236	NA	PeJP	NA	NA
+PJ024023	ATKKMR 	C30H59N11O8S	733.4269	NA	PeJP	NA	NA
+PJ024024	LLFRW 	C38H55N9O6	733.4276	NA	PeJP	NA	NA
+PJ024025	TTKKKE 	C31H59N9O11	733.4334	NA	PeJP	NA	NA
+MJ092426	Dehydroazasirosterol 	C47H59NO6	733.434238	NA	MeJP	NA	NA
+PJ024026	QKFRR 	C32H55N13O7	733.4348	NA	PeJP	NA	NA
+PJ024027	VVLLQY 	C36H59N7O9	733.4374	NA	PeJP	NA	NA
+MJ092427	Enterococcus faecalis Sex pheromone cAM373 	C36H59N7O9	733.437426	NA	MeJP	NA	NA
+PJ024028	PTLLKY 	C36H59N7O9	733.4375	NA	PeJP	NA	NA
+PJ024029	TTTKKR 	C30H59N11O10	733.4447	NA	PeJP	NA	NA
+PJ024030	GLLLRY 	C35H59N9O8	733.4487	NA	PeJP	NA	NA
+PJ024031	SLKKKM 	C32H63N9O8S	733.4521	NA	PeJP	NA	NA
+PJ024032	GVKKFR 	C34H59N11O7	733.4599	NA	PeJP	NA	NA
+C01912	Erythromycin	C37H67NO13	733.4612	NA	KEGG	NA	NA
+MJ092428	Erythromycin 	C37H67NO13	733.461241	NA	MeJP	NA	NA
+HMDB08880	PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C41H68NO8P	733.468262	NA	HMDB2010	NA	NA
+HMDB09129	PE(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	C41H68NO8P	733.468262	NA	HMDB2010	NA	NA
+HMDB09162	PE(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	C41H68NO8P	733.468262	NA	HMDB2010	NA	NA
+HMDB09193	PE(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	C41H68NO8P	733.468262	NA	HMDB2010	NA	NA
+HMDB09194	PE(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	C41H68NO8P	733.468262	NA	HMDB2010	NA	NA
+HMDB09680	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	C41H68NO8P	733.468262	NA	HMDB2010	NA	NA
+PJ024033	KKFRR 	C33H59N13O6	733.4712	NA	PeJP	NA	NA
+PJ024034	VVLLKY 	C37H63N7O8	733.4738	NA	PeJP	NA	NA
+PJ024035	PPPVVLL 	C37H63N7O8	733.4739	NA	PeJP	NA	NA
+PJ024036	ALKKKF 	C36H63N9O7	733.4851	NA	PeJP	NA	NA
+HMDB12335	PS(14:0/18:1(9Z))	C38H72NO10P	733.48938	NA	HMDB2010	NA	NA
+HMDB12345	PS(14:1(9Z)/18:0)	C38H72NO10P	733.48938	NA	HMDB2010	NA	NA
+HMDB12355	PS(16:0/16:1(9Z))	C38H72NO10P	733.48938	NA	HMDB2010	NA	NA
+HMDB12365	PS(16:1(9Z)/16:0)	C38H72NO10P	733.48938	NA	HMDB2010	NA	NA
+HMDB12375	PS(18:0/14:1(9Z))	C38H72NO10P	733.48938	NA	HMDB2010	NA	NA
+HMDB12385	PS(18:1(9Z)/14:0)	C38H72NO10P	733.48938	NA	HMDB2010	NA	NA
+HMDB01222	L-1-Phosphatidylethanolamine	C40H80NO8P	733.56213	http://www.hmdb.ca/metabolites/HMDB01222	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00564	Dipalmitoylphosphatidylcholine	C40H80NO8P	733.56213	http://www.hmdb.ca/metabolites/HMDB00564	HMDB	NA	NA
+HMDB01222	L-1-Phosphatidylethanolamine	C40H80NO8P	733.56213	http://www.hmdb.ca/metabolites/HMDB01222	HMDB	NA	NA
+HMDB01222	L-1-Phosphatidylethanolamine	C40H80NO8P	733.56213	http://www.hmdb.ca/metabolites/HMDB01222	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00564	Dipalmitoylphosphatidylcholine	C40H80NO8P	733.56213	HMDB00564	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01222	L-1-Phosphatidylethanolamine	C40H80NO8P	733.56213	HMDB01222	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00564	PC(16:0/16:0)	C40H80NO8P	733.562134	NA	HMDB2010	NA	NA
+HMDB07871	PC(14:0/18:0)	C40H80NO8P	733.562134	NA	HMDB2010	NA	NA
+HMDB08031	PC(18:0/14:0)	C40H80NO8P	733.562134	NA	HMDB2010	NA	NA
+HMDB08899	PE(15:0/20:0)	C40H80NO8P	733.562134	NA	HMDB2010	NA	NA
+HMDB09219	PE(20:0/15:0)	C40H80NO8P	733.562134	NA	HMDB2010	NA	NA
+MJ092429	Chartellamide A; 6-Bromo 	C20H11Br5N4O2	733.679888	NA	MeJP	NA	NA
+3077	hirudin (54-65)	GDFEEIPEEYLQ	733.81245	MH2+	Inhouse_peptide	NA	peptide
+MJ092430	Oscillatoxin A; 19,21-Dibromo 	C31H44Br2O10	734.130122	NA	MeJP	NA	NA
+PJ024037	SCCCCCN 	C22H38N8O10S5	734.1315	NA	PeJP	NA	NA
+MJ092431	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(2-O-sulfo-?-D-glucopyranoside) 	C29H35O20S(+)	734.136414	NA	MeJP	NA	NA
+PJ024038	CCCDEY 	C27H38N6O12S3	734.171	NA	PeJP	NA	NA
+PJ024039	CCCEMF 	C28H42N6O9S4	734.1896	NA	PeJP	NA	NA
+PJ024040	CDDDMH 	C26H38N8O13S2	734.2	NA	PeJP	NA	NA
+PJ024041	SCCEMY 	C28H42N6O11S3	734.2074	NA	PeJP	NA	NA
+PJ024042	GSCCNDH 	C25H38N10O12S2	734.2112	NA	PeJP	NA	NA
+PJ024043	GGGSCCDH 	C25H38N10O12S2	734.2113	NA	PeJP	NA	NA
+MJ092432	Ezomycin A1 	C26H38N8O15S	734.217733	NA	MeJP	NA	NA
+PJ024044	GPCNDDD 	C26H38N8O15S	734.2178	NA	PeJP	NA	NA
+MJ092433	Julimycin BIII 	C38H38O15	734.22107	NA	MeJP	NA	NA
+PJ024045	GCDDYY 	C31H38N6O13S	734.2218	NA	PeJP	NA	NA
+PJ024046	PCCCFY 	C32H42N6O8S3	734.2227	NA	PeJP	NA	NA
+PJ024047	GCMMMY 	C29H46N6O8S4	734.226	NA	PeJP	NA	NA
+PJ024048	CCNQMH 	C26H42N10O9S3	734.2299	NA	PeJP	NA	NA
+PJ024049	NNDDEE 	C26H38N8O17	734.2355	NA	PeJP	NA	NA
+PJ024050	SDDMMH 	C27H42N8O12S2	734.2364	NA	PeJP	NA	NA
+PJ024051	SPCCYY 	C32H42N6O10S2	734.2404	NA	PeJP	NA	NA
+PJ024052	CCCNHR 	C25H42N12O8S3	734.2411	NA	PeJP	NA	NA
+PJ024053	PDDEEM 	C28H42N6O15S	734.2429	NA	PeJP	NA	NA
+PJ024054	STCMMY 	C29H46N6O10S3	734.2438	NA	PeJP	NA	NA
+PJ024055	GSNNNDD 	C25H38N10O16	734.2468	NA	PeJP	NA	NA
+PJ024056	GSSCNMH 	C26H42N10O11S2	734.2476	NA	PeJP	NA	NA
+PJ024057	GGGGGGAPCC 	C26H42N10O11S2	734.2477	NA	PeJP	NA	NA
+PJ024058	GNDDEW 	C30H38N8O14	734.2508	NA	PeJP	NA	NA
+PJ024059	PCCEHF 	C31H42N8O9S2	734.2517	NA	PeJP	NA	NA
+PJ024060	ASPCNDE 	C27H42N8O14S	734.2541	NA	PeJP	NA	NA
+PJ024061	GSPNDDM 	C27H42N8O14S	734.2542	NA	PeJP	NA	NA
+PJ024062	GEMMMH 	C28H46N8O9S3	734.255	NA	PeJP	NA	NA
+PJ024063	SCDHHH 	C28H38N12O10S	734.2555	NA	PeJP	NA	NA
+PJ024064	GSDMYY 	C32H42N6O12S	734.2582	NA	PeJP	NA	NA
+PJ024065	GCMMFF 	C33H46N6O7S3	734.259	NA	PeJP	NA	NA
+PJ024066	AEEEEE 	C28H42N6O17	734.2607	NA	PeJP	NA	NA
+PJ024067	PDDDHH 	C29H38N10O13	734.262	NA	PeJP	NA	NA
+PJ024068	SSSSCQH 	C26H42N10O13S	734.2654	NA	PeJP	NA	NA
+PJ024069	NDDWW 	C34H38N8O11	734.266	NA	PeJP	NA	NA
+PJ024070	GPPCCCR 	C27H46N10O8S3	734.2663	NA	PeJP	NA	NA
+PJ024071	SPCNEW 	C31H42N8O11S	734.2694	NA	PeJP	NA	NA
+PJ024072	MMMHW 	C32H46N8O6S3	734.2703	NA	PeJP	NA	NA
+PJ024073	SNQEEE 	C27H42N8O16	734.2719	NA	PeJP	NA	NA
+PJ024074	STEMMH 	C28H46N8O11S2	734.2728	NA	PeJP	NA	NA
+PJ024075	TCYYW 	C36H42N6O9S	734.2734	NA	PeJP	NA	NA
+PJ024076	ACMHHH 	C29H42N12O7S2	734.2741	NA	PeJP	NA	NA
+PJ024077	SSSEYY 	C32H42N6O14	734.2759	NA	PeJP	NA	NA
+PJ024078	CNNNDR 	C25H42N12O12S	734.2766	NA	PeJP	NA	NA
+PJ024079	QMMYY 	C33H46N6O9S2	734.2768	NA	PeJP	NA	NA
+PJ024080	PTEEEM 	C29H46N6O14S	734.2793	NA	PeJP	NA	NA
+PJ024081	PPEMMM 	C30H50N6O9S3	734.2802	NA	PeJP	NA	NA
+PJ024082	GNNNMW 	C30H42N10O10S	734.2806	NA	PeJP	NA	NA
+PJ024083	GGGGGNMW 	C30H42N10O10S	734.2807	NA	PeJP	NA	NA
+PJ024084	SNDDER 	C26H42N10O15	734.2831	NA	PeJP	NA	NA
+PJ024085	GGSDDER 	C26H42N10O15	734.2832	NA	PeJP	NA	NA
+PJ024086	PCNDMR 	C27H46N10O10S2	734.284	NA	PeJP	NA	NA
+PJ024087	GSPCWW 	C35H42N8O8S	734.2847	NA	PeJP	NA	NA
+PJ024088	GSQEEW 	C31H42N8O13	734.2872	NA	PeJP	NA	NA
+PJ024089	GPNMMW 	C32H46N8O8S2	734.288	NA	PeJP	NA	NA
+PJ024090	AQQEEM 	C28H46N8O13S	734.2905	NA	PeJP	NA	NA
+PJ024091	GGGGVEEM 	C28H46N8O13S	734.2906	NA	PeJP	NA	NA
+PJ024092	NEFYY 	C36H42N6O11	734.2912	NA	PeJP	NA	NA
+PJ024093	SVMMMH 	C29H50N8O8S3	734.2914	NA	PeJP	NA	NA
+PJ024094	SSMHHH 	C29H42N12O9S	734.2919	NA	PeJP	NA	NA
+MJ092434	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7-Dibenzoyl, 4,9,13-tri-Ac 	C40H46O13	734.293841	NA	MeJP	NA	NA
+MJ092435	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9-Dibenzoyl, 4,7,13-tri-Ac 	C40H46O13	734.293841	NA	MeJP	NA	NA
+MJ092436	15(13?2)-Abeo-1,2,3,7,8,11,13-heptahydroxy-15-isopimaren-14-one, 1,11-Dibenzoyl, 2,3,7-tri-Ac 	C40H46O13	734.293841	NA	MeJP	NA	NA
+PJ024095	GTTMYY 	C33H46N6O11S	734.2945	NA	PeJP	NA	NA
+PJ024096	PPDEMF 	C33H46N6O11S	734.2946	NA	PeJP	NA	NA
+PJ024097	SLEEEE 	C29H46N6O16	734.2971	NA	PeJP	NA	NA
+PJ024098	PVEEMM 	C30H50N6O11S2	734.2979	NA	PeJP	NA	NA
+PJ024099	GSDDRW 	C30H42N10O12	734.2984	NA	PeJP	NA	NA
+PJ024100	APCCRW 	C31H46N10O7S2	734.2993	NA	PeJP	NA	NA
+MJ092437	Jaspofoliamoside A 	C33H50O18	734.299714	NA	MeJP	NA	NA
+PJ024101	GNEEMR 	C27H46N10O12S	734.3018	NA	PeJP	NA	NA
+PJ024102	SQEWW 	C35H42N8O10	734.3024	NA	PeJP	NA	NA
+PJ024103	AAQEMW 	C32H46N8O10S	734.3058	NA	PeJP	NA	NA
+PJ024104	GFYYW 	C40H42N6O8	734.3064	NA	PeJP	NA	NA
+PJ024105	SNKEEE 	C28H46N8O15	734.3083	NA	PeJP	NA	NA
+PJ024106	PNDKMM 	C29H50N8O10S2	734.3092	NA	PeJP	NA	NA
+PJ024107	GQQEHH 	C29H42N12O11	734.3096	NA	PeJP	NA	NA
+PJ024108	GGGAAEHH 	C29H42N12O11	734.3097	NA	PeJP	NA	NA
+PJ024109	QMFFY 	C37H46N6O8S	734.3098	NA	PeJP	NA	NA
+PJ024110	STTTYY 	C33H46N6O13	734.3123	NA	PeJP	NA	NA
+PJ024111	GCDERR 	C26H46N12O11S	734.313	NA	PeJP	NA	NA
+PJ024112	KMMYY 	C34H50N6O8S2	734.3132	NA	PeJP	NA	NA
+PJ024113	GNNHFF 	C34H42N10O9	734.3137	NA	PeJP	NA	NA
+MJ092438	Rohituka substance 1 	C37H50O15	734.31497	NA	MeJP	NA	NA
+PJ024114	VVEEEM 	C30H50N6O13S	734.3157	NA	PeJP	NA	NA
+PJ024115	NEMRW 	C31H46N10O9S	734.317	NA	PeJP	NA	NA
+PJ024116	GTWWW 	C39H42N8O7	734.3177	NA	PeJP	NA	NA
+PJ024117	SSQEER 	C27H46N10O14	734.3195	NA	PeJP	NA	NA
+PJ024118	SPNMMR 	C28H50N10O9S2	734.3204	NA	PeJP	NA	NA
+PJ024119	GNDHHR 	C28H42N14O10	734.3209	NA	PeJP	NA	NA
+PJ024120	VNMWW 	C36H46N8O7S	734.321	NA	PeJP	NA	NA
+PJ024121	GGVMWW 	C36H46N8O7S	734.3211	NA	PeJP	NA	NA
+PJ024122	ATTQEW 	C32H46N8O12	734.3235	NA	PeJP	NA	NA
+PJ024123	GSKEEW 	C32H46N8O12	734.3236	NA	PeJP	NA	NA
+PJ024124	APCKMW 	C33H50N8O7S2	734.3244	NA	PeJP	NA	NA
+PJ024125	QQHHW 	C33H42N12O8	734.3249	NA	PeJP	NA	NA
+PJ024126	AQKEEM 	C29H50N8O12S	734.3269	NA	PeJP	NA	NA
+PJ024127	VQYYY 	C37H46N6O10	734.3276	NA	PeJP	NA	NA
+PJ024128	CDRRW 	C30H46N12O8S	734.3283	NA	PeJP	NA	NA
+PJ024129	SSDDRR 	C26H46N12O13	734.3308	NA	PeJP	NA	NA
+PJ024130	PPVEMY 	C34H50N6O10S	734.3309	NA	PeJP	NA	NA
+PJ024131	PTCCRR 	C27H50N12O8S2	734.3316	NA	PeJP	NA	NA
+PJ024132	GMRWW 	C35H46N10O6S	734.3323	NA	PeJP	NA	NA
+PJ024133	GSTERW 	C31H46N10O11	734.3348	NA	PeJP	NA	NA
+PJ024134	APHHHH 	C32H42N14O7	734.3361	NA	PeJP	NA	NA
+PJ024135	ATQEMR 	C28H50N10O11S	734.3381	NA	PeJP	NA	NA
+PJ024136	GDKEMR 	C28H50N10O11S	734.3382	NA	PeJP	NA	NA
+MJ092439	Lactoferroxin B 	C36H46N8O9	734.338775	NA	MeJP	NA	NA
+PJ024137	SKEWW 	C36H46N8O9	734.3388	NA	PeJP	NA	NA
+PJ024138	AAKEMW 	C33H50N8O9S	734.3422	NA	PeJP	NA	NA
+PJ024139	QFFFF 	C41H46N6O7	734.3428	NA	PeJP	NA	NA
+PJ024140	SDKKEE 	C29H50N8O14	734.3447	NA	PeJP	NA	NA
+PJ024141	PTQKMM 	C30H54N8O9S2	734.3455	NA	PeJP	NA	NA
+PJ024142	GAPTKMM 	C30H54N8O9S2	734.3456	NA	PeJP	NA	NA
+PJ024143	GNNQFR 	C30H46N12O10	734.346	NA	PeJP	NA	NA
+PJ024144	KMFFY 	C38H50N6O7S	734.3462	NA	PeJP	NA	NA
+PJ024145	PVVEEY 	C34H50N6O12	734.3487	NA	PeJP	NA	NA
+PJ024146	GSEMRR 	C27H50N12O10S	734.3494	NA	PeJP	NA	NA
+PJ024147	PPLMMF 	C35H54N6O7S2	734.3496	NA	PeJP	NA	NA
+PJ024148	STRWW 	C35H46N10O8	734.35	NA	PeJP	NA	NA
+PJ024149	GAAPPHW 	C35H46N10O8	734.3501	NA	PeJP	NA	NA
+MJ092440	3,12,30-Trihydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 28-O-?-D-Glucopyranosyl ester, 3-Ac 	C38H54O14	734.351356	NA	MeJP	NA	NA
+MJ092441	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-O-acetyl-?-L-rhamnopyranoside] 	C38H54O14	734.351356	NA	MeJP	NA	NA
+MJ092442	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-?-L-rhamnopyranoside] 	C38H54O14	734.351356	NA	MeJP	NA	NA
+MJ092443	Zaragozic acid F 	C38H54O14	734.351356	NA	MeJP	NA	NA
+PJ024150	TLLEEM 	C31H54N6O12S	734.3521	NA	PeJP	NA	NA
+PJ024151	PLLMMM 	C32H58N6O7S3	734.3529	NA	PeJP	NA	NA
+PJ024152	DKMRW 	C32H50N10O8S	734.3534	NA	PeJP	NA	NA
+PJ024153	VHFFW 	C40H46N8O6	734.3541	NA	PeJP	NA	NA
+PJ024154	SSKEER 	C28H50N10O13	734.3559	NA	PeJP	NA	NA
+PJ024155	GLQMMR 	C29H54N10O8S2	734.3568	NA	PeJP	NA	NA
+PJ024156	GTQHHR 	C29H46N14O9	734.3573	NA	PeJP	NA	NA
+PJ024157	CLKWW 	C37H50N8O6S	734.3574	NA	PeJP	NA	NA
+PJ024158	ATTKEW 	C33H50N8O11	734.3599	NA	PeJP	NA	NA
+PJ024159	GGGGVLEF 	C33H50N8O11	734.36	NA	PeJP	NA	NA
+PJ024160	QKHHW 	C34H46N12O7	734.3613	NA	PeJP	NA	NA
+PJ024161	AKKEEM 	C30H54N8O11S	734.3633	NA	PeJP	NA	NA
+PJ024162	VKYYY 	C38H50N6O9	734.3639	NA	PeJP	NA	NA
+PJ024163	PPPVYY 	C38H50N6O9	734.364	NA	PeJP	NA	NA
+PJ024164	SMRRW 	C31H50N12O7S	734.3646	NA	PeJP	NA	NA
+PJ024165	GPCFRR 	C31H50N12O7S	734.3647	NA	PeJP	NA	NA
+MJ092444	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl, 3-O-?-D-cymaropyranoside 	C42H54O11	734.366612	NA	MeJP	NA	NA
+MJ092445	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl, 3-O-?-D-oleandroside 	C42H54O11	734.366612	NA	MeJP	NA	NA
+PJ024166	SSTERR 	C27H50N12O12	734.3671	NA	PeJP	NA	NA
+PJ024167	GGGSSSKR 	C27H50N12O12	734.3672	NA	PeJP	NA	NA
+PJ024168	PVLEMF 	C35H54N6O9S	734.3673	NA	PeJP	NA	NA
+MJ092446	Alstonia constricta Alkaloid 	C43H50N4O7	734.367949	NA	MeJP	NA	NA
+MJ092447	Voacanga thouarsii Alkaloid E 	C43H50N4O7	734.367949	NA	MeJP	NA	NA
+MJ092448	Vobtusamine 	C43H50N4O7	734.367949	NA	MeJP	NA	NA
+PJ024169	AAMMRR 	C28H54N12O7S2	734.368	NA	PeJP	NA	NA
+PJ024170	VLLEMM 	C32H58N6O9S2	734.3707	NA	PeJP	NA	NA
+PJ024171	SSSLRW 	C32H50N10O10	734.3712	NA	PeJP	NA	NA
+PJ024172	ATKEMR 	C29H54N10O10S	734.3745	NA	PeJP	NA	NA
+PJ024173	GGGGTKKM 	C29H54N10O10S	734.3746	NA	PeJP	NA	NA
+PJ024174	AAPKYW 	C37H50N8O8	734.3752	NA	PeJP	NA	NA
+PJ024175	GTLKMW 	C34H54N8O8S	734.3786	NA	PeJP	NA	NA
+PJ024176	KFFFF 	C42H50N6O6	734.3792	NA	PeJP	NA	NA
+PJ024177	ATTTTLQ 	C30H54N8O13	734.381	NA	PeJP	NA	NA
+PJ024178	TTKKEE 	C30H54N8O13	734.3811	NA	PeJP	NA	NA
+PJ024179	PTKKMM 	C31H58N8O8S2	734.3819	NA	PeJP	NA	NA
+PJ024180	GSPRRY 	C31H50N12O9	734.3824	NA	PeJP	NA	NA
+PJ024181	PTLLEY 	C35H54N6O11	734.3851	NA	PeJP	NA	NA
+PJ024182	ATTMRR 	C28H54N12O9S	734.3858	NA	PeJP	NA	NA
+PJ024183	VQFRW 	C36H50N10O7	734.3864	NA	PeJP	NA	NA
+PJ024184	GPKMFR 	C33H54N10O7S	734.3898	NA	PeJP	NA	NA
+PJ024185	TTTKER 	C29H54N10O12	734.3923	NA	PeJP	NA	NA
+PJ024186	GLKMMR 	C30H58N10O7S2	734.3932	NA	PeJP	NA	NA
+PJ024187	GTKHHR 	C30H50N14O8	734.3936	NA	PeJP	NA	NA
+PJ024188	STTLKW 	C34H54N8O10	734.3963	NA	PeJP	NA	NA
+PJ024189	AFRRW 	C35H50N12O6	734.3977	NA	PeJP	NA	NA
+PJ024190	SLKKEM 	C31H58N8O10S	734.3997	NA	PeJP	NA	NA
+PJ024191	PPVLFY 	C39H54N6O8	734.4003	NA	PeJP	NA	NA
+PJ024192	TTTTRR 	C28H54N12O11	734.4035	NA	PeJP	NA	NA
+PJ024193	PVLLMY 	C36H58N6O8S	734.4037	NA	PeJP	NA	NA
+MJ092449	Cabufiline; Deepoxy 	C44H54N4O6	734.404335	NA	MeJP	NA	NA
+PJ024194	APTKRY 	C33H54N10O9	734.4075	NA	PeJP	NA	NA
+PJ024195	GVLQRY 	C33H54N10O9	734.4076	NA	PeJP	NA	NA
+PJ024196	STLKMR 	C30H58N10O9S	734.4109	NA	PeJP	NA	NA
+PJ024197	AALKFW 	C38H54N8O7	734.4116	NA	PeJP	NA	NA
+MJ092450	Incarvillateine; N-Oxide 	C42H58N2O9	734.414231	NA	MeJP	NA	NA
+PJ024198	PCLKKF 	C35H58N8O7S	734.415	NA	PeJP	NA	NA
+3015	kinases inhibitor	KKALRRQEAADAL	734.41645	MH2+	Inhouse_peptide	NA	peptide
+PJ024199	SSSTLLK 	C31H58N8O12	734.4174	NA	PeJP	NA	NA
+PJ024200	VVKKMM 	C32H62N8O7S2	734.4183	NA	PeJP	NA	NA
+PJ024201	LQRRY 	C32H54N12O8	734.4188	NA	PeJP	NA	NA
+PJ024202	VVLLEY 	C36H58N6O10	734.4215	NA	PeJP	NA	NA
+PJ024203	VKFRW 	C37H54N10O6	734.4228	NA	PeJP	NA	NA
+MJ092451	12,21,23,29-Tetrahydroxytirucalla-7,24-dien-3-one, 29-O-?-D-Glucopyranoside, 12,21-di-Ac 	C40H62O12	734.424127	NA	MeJP	NA	NA
+MJ092452	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C40H62O12	734.424127	NA	MeJP	NA	NA
+MJ092453	Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, 3,11-di-Ac 	C40H62O12	734.424127	NA	MeJP	NA	NA
+MJ092454	Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, 3,21-O-di-Ac 	C40H62O12	734.424127	NA	MeJP	NA	NA
+MJ092455	Senescensol; 12?-Hydroxy, 2-(3-hydroxy-3-methylglutaroyl)(S-)-, 3,21-di-Ac 	C40H62O12	734.424127	NA	MeJP	NA	NA
+2982	kinases inhibitor	KKALKRQEAVDAL	734.42845	MH2+	Inhouse_peptide	NA	peptide
+2985	kinases inhibitor	KKALRKQEAVDAL	734.42845	MH2+	Inhouse_peptide	NA	peptide
+PJ024204	GSSTKKK 	C30H58N10O11	734.4287	NA	PeJP	NA	NA
+PJ024205	TFRRR 	C31H54N14O7	734.43	NA	PeJP	NA	NA
+PJ024206	SPLKKY 	C35H58N8O9	734.4327	NA	PeJP	NA	NA
+MJ092456	Rhizopodin 	C39H62N2O11	734.43536	NA	MeJP	NA	NA
+PJ024207	PVLLFF 	C40H58N6O7	734.4367	NA	PeJP	NA	NA
+PJ024208	VLLLMF 	C37H62N6O7S	734.4401	NA	PeJP	NA	NA
+PJ024209	GVLKRY 	C34H58N10O8	734.4439	NA	PeJP	NA	NA
+PJ024210	GGAKKKF 	C34H58N10O8	734.444	NA	PeJP	NA	NA
+PJ024211	TCKKKK 	C31H62N10O8S	734.4473	NA	PeJP	NA	NA
+PJ024212	LKRRY 	C33H58N12O7	734.4552	NA	PeJP	NA	NA
+PJ024213	TLLLLY 	C37H62N6O9	734.4579	NA	PeJP	NA	NA
+C08955	beta-Hederin	C41H66O11	734.4605	NA	KEGG	NA	NA
+MJ092457	20(29)-Lupen-3-ol, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside] 	C41H66O11	734.460512	NA	MeJP	NA	NA
+MJ092458	Dermostatin; Dermostatin B 	C41H66O11	734.460512	NA	MeJP	NA	NA
+MJ092459	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranoside] 	C41H66O11	734.460512	NA	MeJP	NA	NA
+MJ092460	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H66O11	734.460512	NA	MeJP	NA	NA
+MJ092461	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O11	734.460512	NA	MeJP	NA	NA
+MJ092462	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-xylopyranoside] 	C41H66O11	734.460512	NA	MeJP	NA	NA
+MJ092463	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-arabinopyranoside] 	C41H66O11	734.460512	NA	MeJP	NA	NA
+PJ024214	ALLKKY 	C36H62N8O8	734.4691	NA	PeJP	NA	NA
+PJ024215	GKKKKF 	C35H62N10O7	734.4803	NA	PeJP	NA	NA
+MJ092464	Azathramycin 	C37H70N2O12	734.492875	NA	MeJP	NA	NA
+MJ092465	2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol, 1-Sulfate 	C46H70O5S	734.494396	NA	MeJP	NA	NA
+MJ092466	2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol, 4-Sulfate 	C46H70O5S	734.494396	NA	MeJP	NA	NA
+MJ092467	12-Ursen-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H70O10	734.496898	NA	MeJP	NA	NA
+MJ092468	Salinomycin; 17-Epimer, 20-deoxy 	C42H70O10	734.496898	NA	MeJP	NA	NA
+MJ092469	Salinomycin; 20-Deoxy 	C42H70O10	734.496898	NA	MeJP	NA	NA
+MJ092470	Thioetheramide-PC 	C40H83N2O5PS	734.57603	NA	MeJP	NA	NA
+HMDB07384	DG(20:0/24:1(15Z)/0:0)	C47H90O5	734.678833	NA	HMDB2010	NA	NA
+HMDB07412	DG(20:1(11Z)/24:0/0:0)	C47H90O5	734.678833	NA	HMDB2010	NA	NA
+HMDB07609	DG(22:0/22:1(13Z)/0:0)	C47H90O5	734.678833	NA	HMDB2010	NA	NA
+HMDB07637	DG(22:1(13Z)/22:0/0:0)	C47H90O5	734.678833	NA	HMDB2010	NA	NA
+HMDB07804	DG(24:0/20:1(11Z)/0:0)	C47H90O5	734.678833	NA	HMDB2010	NA	NA
+HMDB07832	DG(24:1(15Z)/20:0/0:0)	C47H90O5	734.678833	NA	HMDB2010	NA	NA
+MJ092471	20(29)-Lupen-3-ol, Heneicosanoyl 	C51H90O2	734.694082	NA	MeJP	NA	NA
+HMDB06728	Cholesteryl nervonic acid	C51H90O2	734.69409	http://www.hmdb.ca/metabolites/HMDB06728	HMDB	NA	NA
+HMDB06728	Cholesteryl nervonic acid	C51H90O2	734.69409	HMDB06728	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06728	CE(24:1(15Z))	C51H90O2	734.694092	NA	HMDB2010	NA	NA
+MJ092472	Tyromedan 	C21H24I3NO4	734.883938	NA	MeJP	NA	NA
+2594	tenecin-1 (1-15)	VTCDILSVEAKGVKL~	734.9329	MH2+	Inhouse_peptide	NA	peptide
+PJ024216	SCCCCCD 	C22H37N7O11S5	735.1155	NA	PeJP	NA	NA
+PJ024217	ACCCCCM 	C23H41N7O8S6	735.1341	NA	PeJP	NA	NA
+FL7AAIGLS001	Malvidin 3-glucoside-5-(2''-sulfatoglucoside)	C29H35O20S	735.14423	160206-01-9	knapsack	NA	NA
+PJ024218	SSCCCCM 	C23H41N7O10S5	735.1519	NA	PeJP	NA	NA
+PJ024219	CCCNMY 	C27H41N7O9S4	735.1849	NA	PeJP	NA	NA
+PJ024220	GSCCDDH 	C25H37N9O13S2	735.1953	NA	PeJP	NA	NA
+PJ024221	APCCCCH 	C26H41N9O8S4	735.1961	NA	PeJP	NA	NA
+MJ092473	Ezomycin B1 	C26H37N7O16S	735.201748	NA	MeJP	NA	NA
+PJ024222	GPCDDDD 	C26H37N7O16S	735.2018	NA	PeJP	NA	NA
+PJ024223	GSTCCCY 	C27H41N7O11S3	735.2026	NA	PeJP	NA	NA
+PJ024224	CCNEMH 	C26H41N9O10S3	735.2139	NA	PeJP	NA	NA
+PJ024225	CCCNFF 	C31H41N7O8S3	735.2179	NA	PeJP	NA	NA
+PJ024226	NDDDEE 	C26H37N7O18	735.2195	NA	PeJP	NA	NA
+PJ024227	GGDDDEE 	C26H37N7O18	735.2196	NA	PeJP	NA	NA
+PJ024228	SSSSCCY 	C27H41N7O13S2	735.2204	NA	PeJP	NA	NA
+PJ024229	CCCDHR 	C25H41N11O9S3	735.2251	NA	PeJP	NA	NA
+PJ024230	GCCMHW 	C30H41N9O7S3	735.2291	NA	PeJP	NA	NA
+PJ024231	GSNNDDD 	C25H37N9O17	735.2308	NA	PeJP	NA	NA
+PJ024232	GSSCDMH 	C26H41N9O12S2	735.2316	NA	PeJP	NA	NA
+PJ024233	GGGGGPCCE 	C26H41N9O12S2	735.2317	NA	PeJP	NA	NA
+PJ024234	GDDDEW 	C30H37N7O15	735.2348	NA	PeJP	NA	NA
+PJ024235	GCCQYY 	C31H41N7O10S2	735.2357	NA	PeJP	NA	NA
+C08327	Anthemis glycoside B	C34H41NO17	735.2374	NA	KEGG	NA	NA
+PJ024236	GSPDDDM 	C27H41N7O15S	735.2382	NA	PeJP	NA	NA
+PJ024237	GPPCCEM 	C28H45N7O10S3	735.239	NA	PeJP	NA	NA
+PJ024238	STCCHW 	C30H41N9O9S2	735.2469	NA	PeJP	NA	NA
+PJ024239	SSSSCEH 	C26H41N9O14S	735.2494	NA	PeJP	NA	NA
+PJ024240	DDDWW 	C34H37N7O12	735.25	NA	PeJP	NA	NA
+PJ024241	SCQMMH 	C27H45N9O9S3	735.2503	NA	PeJP	NA	NA
+PJ024242	SPCDEW 	C31H41N7O12S	735.2534	NA	PeJP	NA	NA
+PJ024243	PPCCMW 	C32H45N7O7S3	735.2543	NA	PeJP	NA	NA
+PJ024244	SNEEEE 	C27H41N7O17	735.2559	NA	PeJP	NA	NA
+PJ024245	PNDEMM 	C28H45N7O12S2	735.2568	NA	PeJP	NA	NA
+PJ024246	CNNDDR 	C25H41N11O13S	735.2606	NA	PeJP	NA	NA
+PJ024247	GGGGGGGSCQ 	C25H41N11O13S	735.2607	NA	PeJP	NA	NA
+PJ024248	EMMYY 	C33H45N5O10S2	735.2608	NA	PeJP	NA	NA
+PJ024249	SCCMHR 	C26H45N11O8S3	735.2615	NA	PeJP	NA	NA
+PJ024250	GNNDMW 	C30H41N9O11S	735.2647	NA	PeJP	NA	NA
+PJ024251	GSSNDQE 	C26H41N9O16	735.2671	NA	PeJP	NA	NA
+PJ024252	SDDDER 	C26H41N9O16	735.2672	NA	PeJP	NA	NA
+PJ024253	PCDDMR 	C27H45N9O11S2	735.268	NA	PeJP	NA	NA
+PJ024254	GSEEEW 	C31H41N7O14	735.2712	NA	PeJP	NA	NA
+PJ024255	APCEMW 	C32H45N7O9S2	735.272	NA	PeJP	NA	NA
+PJ024256	GPDMMW 	C32H45N7O9S2	735.2721	NA	PeJP	NA	NA
+PJ024257	GPTTCEE 	C28H45N7O14S	735.2745	NA	PeJP	NA	NA
+PJ024258	AQEEEM 	C28H45N7O14S	735.2746	NA	PeJP	NA	NA
+PJ024259	DEFYY 	C36H41N5O12	735.2752	NA	PeJP	NA	NA
+PJ024260	GPPTCMM 	C29H49N7O9S3	735.2754	NA	PeJP	NA	NA
+PJ024261	PCNEHH 	C29H41N11O10S	735.2759	NA	PeJP	NA	NA
+PJ024262	SSSNNNN 	C25H41N11O15	735.2784	NA	PeJP	NA	NA
+PJ024263	GSPCCNR 	C26H45N11O10S2	735.2793	NA	PeJP	NA	NA
+PJ024264	CNQWW 	C34H41N9O8S	735.2799	NA	PeJP	NA	NA
+PJ024265	SSNNEW 	C30H41N9O13	735.2824	NA	PeJP	NA	NA
+PJ024266	GNMMHF 	C31H45N9O8S2	735.2833	NA	PeJP	NA	NA
+PJ024267	GDEEMR 	C27H45N9O13S	735.2858	NA	PeJP	NA	NA
+PJ024268	SEEWW 	C35H41N7O11	735.2864	NA	PeJP	NA	NA
+PJ024269	SCKMMH 	C28H49N9O8S3	735.2867	NA	PeJP	NA	NA
+PJ024270	AAEEMW 	C32H45N7O11S	735.2898	NA	PeJP	NA	NA
+PJ024271	GPCHHW 	C33H41N11O7S	735.2912	NA	PeJP	NA	NA
+PJ024272	SDKEEE 	C28H45N7O16	735.2923	NA	PeJP	NA	NA
+PJ024273	PTQEMM 	C29H49N7O11S2	735.2932	NA	PeJP	NA	NA
+PJ024274	NNNNNF 	C29H41N11O12	735.2936	NA	PeJP	NA	NA
+PJ024275	GGGGNNNF 	C29H41N11O12	735.2937	NA	PeJP	NA	NA
+PJ024276	PMYYY 	C37H45N5O9S	735.2938	NA	PeJP	NA	NA
+PJ024277	ACCHFR 	C30H45N11O7S2	735.2945	NA	PeJP	NA	NA
+PJ024278	SNNDMR 	C26H45N11O12S	735.297	NA	PeJP	NA	NA
+PJ024279	GSSNWW 	C34H41N9O10	735.2977	NA	PeJP	NA	NA
+C18073	N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine	C38H45N3O12	735.3003	NA	KEGG	NA	NA
+PJ024280	DEMRW 	C31H45N9O10S	735.301	NA	PeJP	NA	NA
+PJ024281	GGGGATMW 	C31H45N9O10S	735.3011	NA	PeJP	NA	NA
+PJ024282	SSEEER 	C27H45N9O15	735.3035	NA	PeJP	NA	NA
+PJ024283	GGGSSDKE 	C27H45N9O15	735.3036	NA	PeJP	NA	NA
+MJ092474	Trypanothione; Homologue 	C28H49N9O10S2	735.30438	NA	MeJP	NA	NA
+C16568	Homotrypanothione disulfide	C28H49N9O10S2	735.3044	NA	KEGG	NA	NA
+PJ024284	SPDMMR 	C28H49N9O10S2	735.3044	NA	PeJP	NA	NA
+PJ024285	GDDHHR 	C28H41N13O11	735.3049	NA	PeJP	NA	NA
+PJ024286	VDMWW 	C36H45N7O8S	735.3051	NA	PeJP	NA	NA
+PJ024287	ATTEEW 	C32H45N7O13	735.3076	NA	PeJP	NA	NA
+PJ024288	APTMMW 	C33H49N7O8S2	735.3084	NA	PeJP	NA	NA
+PJ024289	QEHHW 	C33H41N11O9	735.3089	NA	PeJP	NA	NA
+PJ024290	AKEEEM 	C29H49N7O13S	735.3109	NA	PeJP	NA	NA
+PJ024291	VEYYY 	C37H45N5O11	735.3116	NA	PeJP	NA	NA
+PJ024292	PVQMMM 	C30H53N7O8S3	735.3118	NA	PeJP	NA	NA
+PJ024293	GSCQRW 	C30H45N11O9S	735.3123	NA	PeJP	NA	NA
+MJ092475	Maytansine; 15-Hydroxy, N2'-de-Ac, N2'-(2-methylpropanoyl) 	C36H50ClN3O11	735.313387	NA	MeJP	NA	NA
+MJ092476	Trewiasine; N'-De-Me 	C36H50ClN3O11	735.313387	NA	MeJP	NA	NA
+MJ092477	Trewiasine; N22-De-Me 	C36H50ClN3O11	735.313387	NA	MeJP	NA	NA
+PJ024294	GSSSNER 	C26H45N11O14	735.3148	NA	PeJP	NA	NA
+PJ024295	GNQMMR 	C27H49N11O9S2	735.3156	NA	PeJP	NA	NA
+PJ024296	GGGQMMR 	C27H49N11O9S2	735.3157	NA	PeJP	NA	NA
+PJ024297	CNKWW 	C35H45N9O7S	735.3163	NA	PeJP	NA	NA
+PJ024298	SSNDKW 	C31H45N9O12	735.3188	NA	PeJP	NA	NA
+PJ024299	ACKMHF 	C32H49N9O7S2	735.3197	NA	PeJP	NA	NA
+PJ024300	ATEEMR 	C28H49N9O12S	735.3222	NA	PeJP	NA	NA
+PJ024301	AAPEYW 	C36H45N7O10	735.3228	NA	PeJP	NA	NA
+PJ024302	APMMMR 	C29H53N9O7S3	735.323	NA	PeJP	NA	NA
+PJ024303	SPCHHR 	C29H45N13O8S	735.3235	NA	PeJP	NA	NA
+PJ024304	AHHWW 	C37H41N11O6	735.3242	NA	PeJP	NA	NA
+PJ024305	GTLEMW 	C33H49N7O10S	735.3262	NA	PeJP	NA	NA
+PJ024306	PFFYY 	C41H45N5O8	735.3268	NA	PeJP	NA	NA
+PJ024307	GCNMRR 	C26H49N13O8S2	735.3269	NA	PeJP	NA	NA
+PJ024308	TTKEEE 	C29H49N7O15	735.3287	NA	PeJP	NA	NA
+PJ024309	PTKEMM 	C30H53N7O10S2	735.3296	NA	PeJP	NA	NA
+PJ024310	SSSNRW 	C30H45N11O11	735.33	NA	PeJP	NA	NA
+PJ024311	GGGGGEFR 	C30H45N11O11	735.3301	NA	PeJP	NA	NA
+PJ024312	LMFYY 	C38H49N5O8S	735.3302	NA	PeJP	NA	NA
+PJ024313	SSQQMR 	C27H49N11O11S	735.3334	NA	PeJP	NA	NA
+PJ024314	PDRYW 	C35H45N9O9	735.334	NA	PeJP	NA	NA
+PJ024315	GAQQFW 	C35H45N9O9	735.3341	NA	PeJP	NA	NA
+PJ024316	GSQKMW 	C32H49N9O9S	735.3374	NA	PeJP	NA	NA
+PJ024317	PTFWW 	C40H45N7O7	735.3381	NA	PeJP	NA	NA
+PJ024318	TTTEER 	C28H49N9O14	735.3399	NA	PeJP	NA	NA
+MJ092478	Senbusine A; O1,O6,O14-Tribenzoyl 	C44H49NO9	735.340732	NA	MeJP	NA	NA
+PJ024319	GLEMMR 	C29H53N9O9S2	735.3408	NA	PeJP	NA	NA
+PJ024320	GTEHHR 	C29H45N13O10	735.3413	NA	PeJP	NA	NA
+PJ024321	TLMWW 	C37H49N7O7S	735.3414	NA	PeJP	NA	NA
+PJ024322	GPVMFW 	C37H49N7O7S	735.3415	NA	PeJP	NA	NA
+PJ024323	STTLEW 	C33H49N7O12	735.3439	NA	PeJP	NA	NA
+PJ024324	PVDDKY 	C33H49N7O12	735.344	NA	PeJP	NA	NA
+PJ024325	SSCQRR 	C26H49N13O10S	735.3446	NA	PeJP	NA	NA
+PJ024326	GVLMMW 	C34H53N7O7S2	735.3448	NA	PeJP	NA	NA
+PJ024327	NNFRW 	C34H45N11O8	735.3453	NA	PeJP	NA	NA
+PJ024328	SLKEEM 	C30H53N7O12S	735.3473	NA	PeJP	NA	NA
+PJ024329	PVKMMM 	C31H57N7O7S3	735.3482	NA	PeJP	NA	NA
+PJ024330	GSCKRW 	C31H49N11O8S	735.3487	NA	PeJP	NA	NA
+PJ024331	ASSSTQR 	C27H49N11O13	735.3511	NA	PeJP	NA	NA
+PJ024332	GSSSDKR 	C27H49N11O13	735.3512	NA	PeJP	NA	NA
+PJ024333	GNKMMR 	C28H53N11O8S2	735.352	NA	PeJP	NA	NA
+PJ024334	PMFRW 	C36H49N9O6S	735.3527	NA	PeJP	NA	NA
+PJ024335	SSTQKW 	C32H49N9O11	735.3552	NA	PeJP	NA	NA
+PJ024336	LMMRW 	C33H53N9O6S2	735.3561	NA	PeJP	NA	NA
+PJ024337	THHRW 	C33H45N13O7	735.3565	NA	PeJP	NA	NA
+PJ024338	STLEMR 	C29H53N9O11S	735.3585	NA	PeJP	NA	NA
+PJ024339	TTLDMR 	C29H53N9O11S	735.3586	NA	PeJP	NA	NA
+PJ024340	GPTLYW 	C37H49N7O9	735.3592	NA	PeJP	NA	NA
+PJ024341	GVMHHR 	C30H49N13O7S	735.3599	NA	PeJP	NA	NA
+PJ024342	GSSSSRR 	C26H49N13O12	735.3624	NA	PeJP	NA	NA
+PJ024343	SSLLMW 	C34H53N7O9S	735.3626	NA	PeJP	NA	NA
+PJ024344	LFFFY 	C42H49N5O7	735.3632	NA	PeJP	NA	NA
+PJ024345	ACCKRR 	C27H53N13O7S2	735.3633	NA	PeJP	NA	NA
+7003	synthetic peptide from alpha-gliadin	QEQVPLVQQQQF	735.365	MH2+	Inhouse_peptide	NA	peptide
+PJ024346	SSSTLLE 	C30H53N7O14	735.3651	NA	PeJP	NA	NA
+PJ024347	TLLQMM 	C31H57N7O9S2	735.3659	NA	PeJP	NA	NA
+PJ024348	VVKEMM 	C31H57N7O9S2	735.366	NA	PeJP	NA	NA
+PJ024349	AAQQRY 	C31H49N11O10	735.3664	NA	PeJP	NA	NA
+3658	NA	ITDFQI	735.3679	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ024350	SSQKMR 	C28H53N11O10S	735.3698	NA	PeJP	NA	NA
+PJ024351	VEFRW 	C36H49N9O8	735.3704	NA	PeJP	NA	NA
+PJ024352	MHHRR 	C29H49N15O6S	735.3711	NA	PeJP	NA	NA
+PJ024353	GSKKMW 	C33H53N9O8S	735.3738	NA	PeJP	NA	NA
+PJ024354	VVFWW 	C41H49N7O6	735.3745	NA	PeJP	NA	NA
+PJ024355	GSSTKKE 	C29H53N9O13	735.3763	NA	PeJP	NA	NA
+PJ024356	SVLMMR 	C30H57N9O8S2	735.3772	NA	PeJP	NA	NA
+PJ024357	NQRRY 	C30H49N13O9	735.3776	NA	PeJP	NA	NA
+PJ024358	GGQRRY 	C30H49N13O9	735.3777	NA	PeJP	NA	NA
+PJ024359	SPLKEY 	C34H53N7O11	735.3803	NA	PeJP	NA	NA
+PJ024360	SSCKRR 	C27H53N13O9S	735.381	NA	PeJP	NA	NA
+PJ024361	APKHHF 	C35H49N11O7	735.3817	NA	PeJP	NA	NA
+PJ024362	GTTTLLM 	C31H57N7O11S	735.3837	NA	PeJP	NA	NA
+PJ024363	PPVMHR 	C32H53N11O7S	735.3851	NA	PeJP	NA	NA
+7009	synthetic peptide from alpha-gliadin	YLQLQPFPQPQL	735.3855	MH2+	Inhouse_peptide	NA	peptide
+PJ024364	GSSTTKR 	C28H53N11O12	735.3875	NA	PeJP	NA	NA
+PJ024365	ACKKMR 	C29H57N11O7S2	735.3884	NA	PeJP	NA	NA
+PJ024366	GPNHRR 	C29H49N15O8	735.3889	NA	PeJP	NA	NA
+PJ024367	SSTKKW 	C33H53N9O10	735.3916	NA	PeJP	NA	NA
+PJ024368	SDKKKM 	C30H57N9O10S	735.3949	NA	PeJP	NA	NA
+PJ024369	AALLYW 	C38H53N7O8	735.3956	NA	PeJP	NA	NA
+MJ092479	Stevastelin B; 14-O-Sulfate 	C34H61N3O12S	735.397595	NA	MeJP	NA	NA
+MJ092480	Stevastelin C3; 13-Ac, 14-sulfate 	C34H61N3O12S	735.397595	NA	MeJP	NA	NA
+PJ024370	PVVKMY 	C35H57N7O8S	735.399	NA	PeJP	NA	NA
+PJ024371	STTTTLL 	C31H57N7O13	735.4014	NA	PeJP	NA	NA
+PJ024372	TLLKMM 	C32H61N7O8S2	735.4023	NA	PeJP	NA	NA
+PJ024373	LERRY 	C32H53N11O9	735.4028	NA	PeJP	NA	NA
+PJ024374	SSKKMR 	C29H57N11O9S	735.4062	NA	PeJP	NA	NA
+PJ024375	VLRYW 	C37H53N9O7	735.4068	NA	PeJP	NA	NA
+PJ024376	GLLMFR 	C34H57N9O7S	735.4102	NA	PeJP	NA	NA
+PJ024377	SSSSLKK 	C30H57N9O12	735.4127	NA	PeJP	NA	NA
+PJ024378	AKKKMM 	C31H61N9O7S2	735.4136	NA	PeJP	NA	NA
+PJ024379	NKRRY 	C31H53N13O8	735.414	NA	PeJP	NA	NA
+PJ024380	GGPPPRR 	C31H53N13O8	735.4141	NA	PeJP	NA	NA
+PJ024381	ALLKEY 	C35H57N7O10	735.4167	NA	PeJP	NA	NA
+MJ092481	Germine; O3-(R)-2-Hydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl, O7-Ac 	C39H61NO12	735.419376	NA	MeJP	NA	NA
+PJ024382	AVQKKY 	C34H57N9O9	735.4279	NA	PeJP	NA	NA
+PJ024383	ATLLRY 	C34H57N9O9	735.428	NA	PeJP	NA	NA
+PJ024384	TTKKKM 	C31H61N9O9S	735.4313	NA	PeJP	NA	NA
+PJ024385	PVVKFF 	C39H57N7O7	735.432	NA	PeJP	NA	NA
+PJ024386	VVLKMF 	C36H61N7O7S	735.4354	NA	PeJP	NA	NA
+PJ024387	AAKKRY 	C33H57N11O8	735.4392	NA	PeJP	NA	NA
+MJ092482	Antibiotic 14A 	C36H65NO14	735.440505	NA	MeJP	NA	NA
+PJ024388	KKKFW 	C38H57N9O6	735.4432	NA	PeJP	NA	NA
+PJ024389	APKKHR 	C32H57N13O7	735.4504	NA	PeJP	NA	NA
+PJ024390	SLLLKY 	C36H61N7O9	735.4531	NA	PeJP	NA	NA
+MJ092483	Tetrahexin 	C40H65NO11	735.455761	NA	MeJP	NA	NA
+PJ024391	GLKKKY 	C35H61N9O8	735.4643	NA	PeJP	NA	NA
+PJ024392	GALLLLH 	C35H61N9O8	735.4644	NA	PeJP	NA	NA
+PJ024393	VVLLHR 	C34H61N11O7	735.4756	NA	PeJP	NA	NA
+HMDB08847	PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB08878	PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB08879	PE(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB08972	PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09096	PE(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09127	PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09128	PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09160	PE(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09161	PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09192	PE(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09452	PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09614	PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09647	PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+HMDB09679	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	C41H70NO8P	735.483887	NA	HMDB2010	NA	NA
+PJ024394	APPLLLL 	C37H65N7O8	735.4895	NA	PeJP	NA	NA
+PJ024395	LLLLKH 	C36H65N9O7	735.5007	NA	PeJP	NA	NA
+HMDB00614	PS(16:0/16:0)	C38H74NO10P	735.505005	NA	HMDB2010	NA	NA
+HMDB12334	PS(14:0/18:0)	C38H74NO10P	735.505005	NA	HMDB2010	NA	NA
+HMDB12374	PS(18:0/14:0)	C38H74NO10P	735.505005	NA	HMDB2010	NA	NA
+EUR1062	SM(d18:1/15:0) [M+FA-H]-	C38H78N2O6P	735.564631	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1062	SM(d18:1/15:0) [M+FA-H]-	C38H78N2O6P	735.564631	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1062	SM(d18:1/15:0) [M+FA-H]-	C38H78N2O6P	735.564631	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1062	SM(d18:1/15:0) [M+FA-H]-	C38H78N2O6P	735.564631	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1058	SM(d18:1/14:0) [M-H+acetate]-	C37H76N2O6P	735.565201	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1058	SM(d18:1/14:0) [M-H+acetate]-	C37H76N2O6P	735.565201	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1058	SM(d18:1/14:0) [M-H+acetate]-	C37H76N2O6P	735.565201	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1058	SM(d18:1/14:0) [M-H+acetate]-	C37H76N2O6P	735.565201	masses lipides attendues	Inhousejuil11	NA	NA
+C04873	1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-	C40H84N2O5PS	735.5839	NA	KEGG	NA	NA
+7011	synthetic peptide from alpha-gliadin	PYSQPQPFRPQQ	735.852	MH2+	Inhouse_peptide	NA	peptide
+MJ092484	Glucosulfone 	C24H36N2O18S3	736.112524	NA	MeJP	NA	NA
+PJ024396	CCCDMY 	C27H40N6O10S4	736.1689	NA	PeJP	NA	NA
+PJ024397	CCCMMF 	C28H44N6O7S5	736.1875	NA	PeJP	NA	NA
+PJ024398	CCDEMH 	C26H40N8O11S3	736.1979	NA	PeJP	NA	NA
+PJ024399	CCCDFF 	C31H40N6O9S3	736.2019	NA	PeJP	NA	NA
+PJ024400	DDDDEE 	C26H36N6O19	736.2036	NA	PeJP	NA	NA
+PJ024401	SCCMMY 	C28H44N6O9S4	736.2053	NA	PeJP	NA	NA
+PJ024402	GSCCCQH 	C25H40N10O10S3	736.2091	NA	PeJP	NA	NA
+PJ024403	GSNDDDD 	C25H36N8O18	736.2148	NA	PeJP	NA	NA
+PJ024404	GPCCNDE 	C26H40N8O13S2	736.2157	NA	PeJP	NA	NA
+MJ092485	Antibiotic Sch 64875 	C34H44N2O10S3	736.215807	NA	MeJP	NA	NA
+PJ024405	GCCEYY 	C31H40N6O11S2	736.2197	NA	PeJP	NA	NA
+MJ092486	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 6-Ac 	C34H40O18	736.221464	NA	MeJP	NA	NA
+PJ024406	SSSCCNH 	C25H40N10O12S2	736.2269	NA	PeJP	NA	NA
+PJ024407	PCCNDW 	C30H40N8O10S2	736.2309	NA	PeJP	NA	NA
+PJ024408	NNDDEM 	C26H40N8O15S	736.2334	NA	PeJP	NA	NA
+PJ024409	SCEMMH 	C27H44N8O10S3	736.2343	NA	PeJP	NA	NA
+PJ024410	CCYYW 	C35H40N6O8S2	736.2349	NA	PeJP	NA	NA
+MJ092487	Dioxamycin 	C38H40O15	736.23672	NA	MeJP	NA	NA
+PJ024411	SSCDYY 	C31H40N6O13S	736.2374	NA	PeJP	NA	NA
+PJ024412	ACCMFY 	C32H44N6O8S3	736.2383	NA	PeJP	NA	NA
+PJ024413	SDEEEE 	C27H40N6O18	736.2399	NA	PeJP	NA	NA
+PJ024414	PDDEMM 	C28H44N6O13S2	736.2408	NA	PeJP	NA	NA
+C12196	(+/-)-Bocconarborine A	C44H36N2O9	736.2421	NA	KEGG	NA	NA
+C12197	(+/-)-Bocconarborine B	C44H36N2O9	736.2421	NA	KEGG	NA	NA
+PJ024415	CCNNHF 	C29H40N10O9S2	736.2421	NA	PeJP	NA	NA
+PJ024416	GGCCNHF 	C29H40N10O9S2	736.2422	NA	PeJP	NA	NA
+PJ024417	GSCNNNE 	C25H40N10O14S	736.2446	NA	PeJP	NA	NA
+PJ024418	CNDDDR 	C25H40N10O14S	736.2447	NA	PeJP	NA	NA
+PJ024419	GSCCCKH 	C26H44N10O9S3	736.2455	NA	PeJP	NA	NA
+PJ024420	GNDDMW 	C30H40N8O12S	736.2487	NA	PeJP	NA	NA
+PJ024421	PCCMHF 	C31H44N8O7S3	736.2495	NA	PeJP	NA	NA
+PJ024422	GSSNDEE 	C26H40N8O17	736.2512	NA	PeJP	NA	NA
+PJ024423	GSPCNEM 	C27H44N8O12S2	736.252	NA	PeJP	NA	NA
+PJ024424	GGGSPCEM 	C27H44N8O12S2	736.2521	NA	PeJP	NA	NA
+PJ024425	GMMMMH 	C28H48N8O7S4	736.2529	NA	PeJP	NA	NA
+PJ024426	TCCHHH 	C28H40N12O8S2	736.2534	NA	PeJP	NA	NA
+PJ024427	PDDDEF 	C31H40N6O15	736.2552	NA	PeJP	NA	NA
+PJ024428	GTCMYY 	C32H44N6O10S2	736.2561	NA	PeJP	NA	NA
+PJ024429	AEEEEM 	C28H44N6O15S	736.2586	NA	PeJP	NA	NA
+PJ024430	SCNNNW 	C29H40N10O11S	736.2599	NA	PeJP	NA	NA
+PJ024431	SSSNNND 	C25H40N10O16	736.2624	NA	PeJP	NA	NA
+PJ024432	GSPCCDR 	C26H44N10O11S2	736.2633	NA	PeJP	NA	NA
+PJ024433	CNEWW 	C34H40N8O9S	736.2639	NA	PeJP	NA	NA
+PJ024434	SSNDEW 	C30H40N8O14	736.2664	NA	PeJP	NA	NA
+PJ024435	SPCNMW 	C31H44N8O9S2	736.2673	NA	PeJP	NA	NA
+PJ024436	SNQEEM 	C27H44N8O14S	736.2698	NA	PeJP	NA	NA
+PJ024437	NDYYY 	C35H40N6O12	736.2704	NA	PeJP	NA	NA
+PJ024438	STMMMH 	C28H48N8O9S3	736.2707	NA	PeJP	NA	NA
+PJ024439	ACCFFF 	C36H44N6O7S2	736.2713	NA	PeJP	NA	NA
+PJ024440	SSSMYY 	C32H44N6O12S	736.2738	NA	PeJP	NA	NA
+PJ024441	CCNNQR 	C25H44N12O10S2	736.2745	NA	PeJP	NA	NA
+PJ024442	TTEEEE 	C28H44N6O17	736.2763	NA	PeJP	NA	NA
+PJ024443	PTEEMM 	C29H48N6O12S2	736.2772	NA	PeJP	NA	NA
+PJ024444	NNNNDF 	C29H40N10O13	736.2777	NA	PeJP	NA	NA
+PJ024445	PPMMMM 	C30H52N6O7S4	736.2781	NA	PeJP	NA	NA
+PJ024446	GCWWW 	C38H40N8O6S	736.2792	NA	PeJP	NA	NA
+PJ024447	SNDDMR 	C26H44N10O13S	736.281	NA	PeJP	NA	NA
+PJ024448	GGGGGGGSTM 	C26H44N10O13S	736.2811	NA	PeJP	NA	NA
+PJ024449	GSSDWW 	C34H40N8O11	736.2817	NA	PeJP	NA	NA
+PJ024450	PCCQMR 	C27H48N10O8S3	736.2819	NA	PeJP	NA	NA
+PJ024451	GSQEMW 	C31H44N8O11S	736.2851	NA	PeJP	NA	NA
+PJ024452	GCHHHF 	C32H40N12O7S	736.2864	NA	PeJP	NA	NA
+PJ024453	ASSSQEE 	C27H44N8O16	736.2875	NA	PeJP	NA	NA
+PJ024454	GSSTQEE 	C27H44N8O16	736.2876	NA	PeJP	NA	NA
+PJ024455	AQQEMM 	C28H48N8O11S2	736.2884	NA	PeJP	NA	NA
+PJ024456	SNNEHH 	C28H40N12O12	736.2889	NA	PeJP	NA	NA
+PJ024457	NMFYY 	C36H44N6O9S	736.2891	NA	PeJP	NA	NA
+PJ024458	APEEEY 	C32H44N6O14	736.2916	NA	PeJP	NA	NA
+PJ024459	GSSCNNR 	C25H44N12O12S	736.2923	NA	PeJP	NA	NA
+PJ024460	PPDMMF 	C33H48N6O9S2	736.2925	NA	PeJP	NA	NA
+PJ024461	EEHHW 	C33H40N10O10	736.2929	NA	PeJP	NA	NA
+PJ024462	PCCCRR 	C26H48N12O7S3	736.2931	NA	PeJP	NA	NA
+MJ092488	Phyllanthocic acid; [6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C36H48O16	736.294235	NA	MeJP	NA	NA
+PJ024463	SLEEEM 	C29H48N6O14S	736.295	NA	PeJP	NA	NA
+PJ024464	PVEMMM 	C30H52N6O9S3	736.2958	NA	PeJP	NA	NA
+PJ024465	GSCERW 	C30H44N10O10S	736.2963	NA	PeJP	NA	NA
+PJ024466	GSSSDER 	C26H44N10O15	736.2988	NA	PeJP	NA	NA
+PJ024467	CCQQQK 	C27H48N10O10S2	736.2996	NA	PeJP	NA	NA
+PJ024468	GNEMMR 	C27H48N10O10S2	736.2997	NA	PeJP	NA	NA
+PJ024469	SQMWW 	C35H44N8O8S	736.3003	NA	PeJP	NA	NA
+3280	NA	ACDCRGDCFCG	736.3018	celiac toxic	Inhouse_peptide	NA	peptide
+PJ024470	SSTQEW 	C31H44N8O13	736.3028	NA	PeJP	NA	NA
+PJ024471	AAQMMW 	C32H48N8O8S2	736.3037	NA	PeJP	NA	NA
+PJ024472	GSNHHW 	C32H40N12O9	736.3042	NA	PeJP	NA	NA
+PJ024473	SNKEEM 	C28H48N8O13S	736.3062	NA	PeJP	NA	NA
+PJ024474	TQYYY 	C36H44N6O11	736.3068	NA	PeJP	NA	NA
+PJ024475	PCQKMM 	C29H52N8O8S3	736.3071	NA	PeJP	NA	NA
+PJ024476	GQQMHH 	C29H44N12O9S	736.3075	NA	PeJP	NA	NA
+PJ024477	PPTEMY 	C33H48N6O11S	736.3102	NA	PeJP	NA	NA
+PJ024478	GCDMRR 	C26H48N12O9S2	736.3109	NA	PeJP	NA	NA
+PJ024479	SCRWW 	C34H44N10O7S	736.3115	NA	PeJP	NA	NA
+PJ024480	PPCHHF 	C34H44N10O7S	736.3116	NA	PeJP	NA	NA
+PJ024481	VVEEMM 	C30H52N6O11S2	736.3136	NA	PeJP	NA	NA
+PJ024482	SSSDRW 	C30H44N10O12	736.314	NA	PeJP	NA	NA
+PJ024483	GGGGAQQY 	C30H44N10O12	736.3141	NA	PeJP	NA	NA
+PJ024484	NMMRW 	C31H48N10O7S2	736.3149	NA	PeJP	NA	NA
+PJ024485	SSQEMR 	C27H48N10O12S	736.3174	NA	PeJP	NA	NA
+PJ024486	GSTTWW 	C35H44N8O10	736.3181	NA	PeJP	NA	NA
+PJ024487	PCCKMR 	C28H52N10O7S3	736.3183	NA	PeJP	NA	NA
+PJ024488	GCQHHR 	C28H44N14O8S	736.3188	NA	PeJP	NA	NA
+PJ024489	GSKEMW 	C32H48N8O10S	736.3214	NA	PeJP	NA	NA
+PJ024490	GGGGPVMY 	C32H48N8O10S	736.3215	NA	PeJP	NA	NA
+PJ024491	NFFFY 	C40H44N6O8	736.3221	NA	PeJP	NA	NA
+PJ024492	GSSTKEE 	C28H48N8O15	736.3239	NA	PeJP	NA	NA
+PJ024493	AQKEMM 	C29H52N8O10S2	736.3248	NA	PeJP	NA	NA
+PJ024494	GNNNRY 	C29H44N12O11	736.3253	NA	PeJP	NA	NA
+PJ024495	SPLEEY 	C33H48N6O13	736.328	NA	PeJP	NA	NA
+PJ024496	SSCERR 	C26H48N12O11S	736.3287	NA	PeJP	NA	NA
+PJ024497	PPVMMY 	C34H52N6O8S2	736.3288	NA	PeJP	NA	NA
+PJ024498	NDFRW 	C34H44N10O9	736.3293	NA	PeJP	NA	NA
+MJ092489	Alcuronium(2+); Dichloride 	C44H50Cl2N4O2	736.331082	NA	MeJP	NA	NA
+PJ024499	GSTMRW 	C31H48N10O9S	736.3327	NA	PeJP	NA	NA
+PJ024500	AQFWW 	C39H44N8O7	736.3333	NA	PeJP	NA	NA
+PJ024501	GSSTTER 	C27H48N10O14	736.3352	NA	PeJP	NA	NA
+PJ024502	ATQMMR 	C28H52N10O9S2	736.336	NA	PeJP	NA	NA
+PJ024503	GDKMMR 	C28H52N10O9S2	736.3361	NA	PeJP	NA	NA
+PJ024504	SSNHHR 	C28H44N14O10	736.3365	NA	PeJP	NA	NA
+PJ024505	SKMWW 	C36H48N8O7S	736.3367	NA	PeJP	NA	NA
+PJ024506	SSTKEW 	C32H48N8O12	736.3392	NA	PeJP	NA	NA
+PJ024507	AAKMMW 	C33H52N8O7S2	736.3401	NA	PeJP	NA	NA
+PJ024508	SDKKEM 	C29H52N8O12S	736.3426	NA	PeJP	NA	NA
+PJ024509	TKYYY 	C37H48N6O10	736.3432	NA	PeJP	NA	NA
+PJ024510	PCKKMM 	C30H56N8O7S3	736.3434	NA	PeJP	NA	NA
+PJ024511	PPCQHR 	C30H48N12O8S	736.3439	NA	PeJP	NA	NA
+PJ024512	PVVEMY 	C34H52N6O10S	736.3466	NA	PeJP	NA	NA
+PJ024513	GSMMRR 	C27H52N12O8S2	736.3473	NA	PeJP	NA	NA
+PJ024514	MHFFR 	C35H48N10O6S	736.3479	NA	PeJP	NA	NA
+PJ024515	TLLEMM 	C31H56N6O10S2	736.35	NA	PeJP	NA	NA
+PJ024516	SSTTRW 	C31H48N10O11	736.3504	NA	PeJP	NA	NA
+PJ024517	GGGGGGTKF 	C31H48N10O11	736.3505	NA	PeJP	NA	NA
+PJ024518	GLHHHH 	C32H44N14O7	736.3518	NA	PeJP	NA	NA
+MJ092490	Antibiotic PF 1057A; 16',17'-Di-Ac 	C35H60O12S2	736.352618	NA	MeJP	NA	NA
+PJ024519	SSKEMR 	C28H52N10O11S	736.3538	NA	PeJP	NA	NA
+PJ024520	LQQYW 	C36H48N8O9	736.3544	NA	PeJP	NA	NA
+PJ024521	GSPKYW 	C36H48N8O9	736.3545	NA	PeJP	NA	NA
+PJ024522	GCKHHR 	C29H48N14O7S	736.3552	NA	PeJP	NA	NA
+PJ024523	ATTKMW 	C33H52N8O9S	736.3578	NA	PeJP	NA	NA
+PJ024524	SSSSLKE 	C29H52N8O14	736.3603	NA	PeJP	NA	NA
+PJ024525	AKKEMM 	C30H56N8O9S2	736.3612	NA	PeJP	NA	NA
+PJ024526	NERRY 	C30H48N12O10	736.3617	NA	PeJP	NA	NA
+PJ024527	PPVMFF 	C38H52N6O7S	736.3619	NA	PeJP	NA	NA
+PJ024528	ALLEEY 	C34H52N6O12	736.3643	NA	PeJP	NA	NA
+PJ024529	VVVEEY 	C34H52N6O12	736.3644	NA	PeJP	NA	NA
+PJ024530	SSTMRR 	C27H52N12O10S	736.365	NA	PeJP	NA	NA
+PJ024531	PVLMMF 	C35H56N6O7S2	736.3652	NA	PeJP	NA	NA
+PJ024532	VNRYW 	C35H48N10O8	736.3657	NA	PeJP	NA	NA
+MJ092491	2,8,9,11,12,14,16-Heptahydroxy-3,5-briaradien-18,7-olide, 12-Octanoyl, 16-butanoyl, 2,9,14-tri-Ac 	C38H56O14	736.367006	NA	MeJP	NA	NA
+MJ092492	Thevetiogenin; 3-O-[?-D-Glucopyranosyl(1?4)-2-O-acetyl-3-O-methyl-?-L-glucopyranoside] 	C38H56O14	736.367006	NA	MeJP	NA	NA
+PJ024533	VLLMMM 	C32H60N6O7S3	736.3686	NA	PeJP	NA	NA
+PJ024534	APCKRY 	C32H52N10O8S	736.3691	NA	PeJP	NA	NA
+PJ024535	AKFWW 	C40H48N8O6	736.3697	NA	PeJP	NA	NA
+MJ092493	Stigmast-22-ene-3,6,7,8,15,16,26-heptol, 26-O-[3-O-Methyl-2-sulfate-?-D-xylopyranoside] 	C35H60O14S	736.370377	NA	MeJP	NA	NA
+MJ092494	Stigmast-22-ene-3,6,7,8,15,16,29-heptol, 29-O-[3-O-Methyl-2-sulfo-?-D-xylopyranoside] 	C35H60O14S	736.370377	NA	MeJP	NA	NA
+PJ024536	SSSSTLR 	C28H52N10O13	736.3715	NA	PeJP	NA	NA
+PJ024537	GTTTTTR 	C28H52N10O13	736.3716	NA	PeJP	NA	NA
+PJ024538	ATKMMR 	C29H56N10O8S2	736.3724	NA	PeJP	NA	NA
+PJ024539	GPDHRR 	C29H48N14O9	736.3729	NA	PeJP	NA	NA
+PJ024540	TTTTKW 	C33H52N8O11	736.3756	NA	PeJP	NA	NA
+PJ024541	GRRYW 	C34H48N12O7	736.3769	NA	PeJP	NA	NA
+PJ024542	ASSTLKM 	C30H56N8O11S	736.3789	NA	PeJP	NA	NA
+PJ024543	TTKKEM 	C30H56N8O11S	736.379	NA	PeJP	NA	NA
+PJ024544	PPVVYY 	C38H52N6O9	736.3796	NA	PeJP	NA	NA
+PJ024545	QMFRR 	C31H52N12O7S	736.3803	NA	PeJP	NA	NA
+PJ024546	PTLLMY 	C35H56N6O9S	736.383	NA	PeJP	NA	NA
+MJ092495	Conofoline 	C43H52N4O7	736.3836	NA	MeJP	NA	NA
+MJ092496	Uncaramine 	C43H52N4O7	736.3836	NA	MeJP	NA	NA
+PJ024547	AAKERY 	C32H52N10O10	736.3868	NA	PeJP	NA	NA
+2772	protease HIV1 inhibitor	LLEYSI	736.389	NA	Inhouse_peptide	NA	peptide
+2777	protease HIV 1 inhibitor	LLEYSL	736.389	NA	Inhouse_peptide	NA	peptide
+PJ024548	TTTKMR 	C29H56N10O10S	736.3902	NA	PeJP	NA	NA
+PJ024549	LQKYW 	C37H52N8O8	736.3908	NA	PeJP	NA	NA
+PJ024550	GAPPPLW 	C37H52N8O8	736.3909	NA	PeJP	NA	NA
+PJ024551	CFRRR 	C30H52N14O6S	736.3915	NA	PeJP	NA	NA
+PJ024552	APKKMY 	C34H56N8O8S	736.3942	NA	PeJP	NA	NA
+MJ092497	Ornibactin F 	C30H56N8O13	736.396683	NA	MeJP	NA	NA
+PJ024553	SSTTTLK 	C30H56N8O13	736.3967	NA	PeJP	NA	NA
+PJ024554	SLKKMM 	C31H60N8O8S2	736.3976	NA	PeJP	NA	NA
+PJ024555	SPLQHR 	C31H52N12O9	736.398	NA	PeJP	NA	NA
+PJ024556	DKRRY 	C31H52N12O9	736.3981	NA	PeJP	NA	NA
+PJ024557	SLLLEY 	C35H56N6O11	736.4007	NA	PeJP	NA	NA
+PJ024558	TKFRW 	C36H52N10O7	736.4021	NA	PeJP	NA	NA
+MJ092498	24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H60O13	736.403392	NA	MeJP	NA	NA
+MJ092499	Spirost-5-ene-3,27-diol, 27-(3S-Hydroxy-3-methylglutaroyl), 3-O-?-D-glucopyranoside 	C39H60O13	736.403392	NA	MeJP	NA	NA
+PJ024559	GVKMFR 	C33H56N10O7S	736.4055	NA	PeJP	NA	NA
+PJ024560	CCKKKK 	C30H60N10O7S2	736.4088	NA	PeJP	NA	NA
+PJ024561	SRRRY 	C30H52N14O8	736.4093	NA	PeJP	NA	NA
+PJ024562	GLKKEY 	C34H56N8O10	736.412	NA	PeJP	NA	NA
+C15715	Myxochromide S2	C39H56N6O8	736.416	NA	KEGG	NA	NA
+PJ024563	PVVLFY 	C39H56N6O8	736.416	NA	PeJP	NA	NA
+PJ024564	KMFRR 	C32H56N12O6S	736.4167	NA	PeJP	NA	NA
+PJ024565	VVLLMY 	C36H60N6O8S	736.4194	NA	PeJP	NA	NA
+MJ092500	Angusticraline 	C44H56N4O6	736.419985	NA	MeJP	NA	NA
+MJ092501	Tabernaelegantine A; 20-Epimer, 3'-Methoxy 	C44H56N4O6	736.419985	NA	MeJP	NA	NA
+PJ024566	GTLKRY 	C33H56N10O9	736.4232	NA	PeJP	NA	NA
+PJ024567	LKKYW 	C38H56N8O7	736.4272	NA	PeJP	NA	NA
+PJ024568	ALKKMF 	C35H60N8O7S	736.4306	NA	PeJP	NA	NA
+MJ092502	Sirosterol 	C47H60O7	736.433904	NA	MeJP	NA	NA
+PJ024569	SPLKHR 	C32H56N12O8	736.4344	NA	PeJP	NA	NA
+PJ024570	GAALLHR 	C32H56N12O8	736.4345	NA	PeJP	NA	NA
+MJ092503	Antibiotic TG 488 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092504	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside] 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092505	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-arabinopyranoside] 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092506	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-xylopyranoside] 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092507	Jujubogenin; 3,20-Di-O-?-L-arabinopyranoside 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092508	Jujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?3)-?-L-arabinopyranoside] 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092509	Nonactin 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092510	Perlimycin 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092511	Pouoside C; 8-Acetoxy, 11-O-de-Ac 	C40H64O12	736.439777	NA	MeJP	NA	NA
+MJ092512	Pseudojujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-arabinopyranoside] 	C40H64O12	736.439777	NA	MeJP	NA	NA
+C11186	Nonactin	C40H64O12	736.4398	NA	KEGG	NA	NA
+C11187	Transferred to D01049	C40H64O12	736.4398	NA	KEGG	NA	NA
+PJ024571	GVLHRR 	C31H56N14O7	736.4457	NA	PeJP	NA	NA
+PJ024572	SVLKKY 	C35H60N8O9	736.4483	NA	PeJP	NA	NA
+PJ024573	TTLKKF 	C35H60N8O9	736.4484	NA	PeJP	NA	NA
+PJ024574	VVLLFF 	C40H60N6O7	736.4524	NA	PeJP	NA	NA
+PJ024575	LHRRR 	C30H56N16O6	736.4569	NA	PeJP	NA	NA
+PJ024576	AAPPLLR 	C34H60N10O8	736.4596	NA	PeJP	NA	NA
+PJ024577	PPVLRR 	C33H60N12O7	736.4708	NA	PeJP	NA	NA
+MJ092513	Stigmasta-7,22-dien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H68O11	736.476163	NA	MeJP	NA	NA
+PJ024578	GPPLLLK 	C36H64N8O8	736.4847	NA	PeJP	NA	NA
+PJ024579	APPVLLK 	C36H64N8O8	736.4848	NA	PeJP	NA	NA
+PJ024580	VLLKKH 	C35H64N10O7	736.496	NA	PeJP	NA	NA
+MJ092514	2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-?-D-Altruronopyranoside 	C42H72O10	736.512548	NA	MeJP	NA	NA
+MJ092515	2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-?-D-Galacturonopyranoside 	C42H72O10	736.512548	NA	MeJP	NA	NA
+MJ092516	2-Methyl-32,33,34,35-bacteriohopanetetrol, 35-O-?-D-Glucuronopyranoside 	C42H72O10	736.512548	NA	MeJP	NA	NA
+MJ092517	Dunaimycin C1 	C42H72O10	736.512548	NA	MeJP	NA	NA
+MJ092518	Belamcandone B 	C46H72O7	736.527804	NA	MeJP	NA	NA
+MJ092519	1-Nonacosene-4,6,8,10,12,14,16,18,20,22,24-undecol, Undeca-Me ether 	C40H80O11	736.570063	NA	MeJP	NA	NA
+MJ092520	Iristectorene A; Deacyl, 3-O-(9Z,12Z-octadecadienoyl) 	C48H80O5	736.600575	NA	MeJP	NA	NA
+C17570	2-Methyl-6-solanyl-1,4-benzoquinol	C52H80O2	736.6158	NA	KEGG	NA	NA
+MJ092521	3,7,11,15,19,23,27-Heptamethyl-30-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2,6,10-triacontatriene-1,15,19,23,27-pentol 	C45H84O7	736.621705	NA	MeJP	NA	NA
+MJ092522	Glisoprenin D 	C45H84O7	736.621705	NA	MeJP	NA	NA
+MJ092523	20(29)-Lupen-3-ol, 3-Hydroxyeicosanoyl 	C50H88O3	736.673346	NA	MeJP	NA	NA
+HMDB07383	DG(20:0/24:0/0:0)	C47H92O5	736.694458	NA	HMDB2010	NA	NA
+HMDB07608	DG(22:0/22:0/0:0)	C47H92O5	736.694458	NA	HMDB2010	NA	NA
+HMDB07803	DG(24:0/20:0/0:0)	C47H92O5	736.694458	NA	HMDB2010	NA	NA
+HMDB10376	CE(24:0)	C51H92O2	736.709717	NA	HMDB2010	NA	NA
+MJ092524	Cholest-5-en-3-ol, Tetracosanoyl 	C51H92O2	736.709732	NA	MeJP	NA	NA
+MJ092525	Stigmast-5-en-3-ol, Docosanoyl 	C51H92O2	736.709732	NA	MeJP	NA	NA
+PJ024581	TCCCCCC 	C22H39N7O9S6	737.1134	NA	PeJP	NA	NA
+PJ024582	GCCCCCF 	C26H39N7O8S5	737.1464	NA	PeJP	NA	NA
+PJ024583	GSCCCCY 	C26H39N7O10S4	737.1641	NA	PeJP	NA	NA
+PJ024584	GSCCCEH 	C25H39N9O11S3	737.1931	NA	PeJP	NA	NA
+PJ024585	GSDDDDD 	C25H35N7O19	737.1988	NA	PeJP	NA	NA
+PJ024586	GPCCDDE 	C26H39N7O14S2	737.1997	NA	PeJP	NA	NA
+PJ024587	SCCCHW 	C29H39N9O8S3	737.2084	NA	PeJP	NA	NA
+PJ024588	SSSCCDH 	C25H39N9O13S2	737.2109	NA	PeJP	NA	NA
+PJ024589	CCNMMH 	C26H43N9O8S4	737.2118	NA	PeJP	NA	NA
+PJ024590	PCCDDW 	C30H39N7O11S2	737.2149	NA	PeJP	NA	NA
+PJ024591	NDDDEM 	C26H39N7O16S	737.2174	NA	PeJP	NA	NA
+PJ024592	SPPCCCE 	C27H43N7O11S3	737.2183	NA	PeJP	NA	NA
+PJ024593	GCCNNNN 	C24H39N11O12S2	737.2221	NA	PeJP	NA	NA
+PJ024594	GGGGGCCNN 	C24H39N11O12S2	737.2222	NA	PeJP	NA	NA
+PJ024595	CCNDHF 	C29H39N9O10S2	737.2262	NA	PeJP	NA	NA
+PJ024596	CDDDDR 	C25H39N9O15S	737.2287	NA	PeJP	NA	NA
+PJ024597	GSTCCMH 	C26H43N9O10S3	737.2295	NA	PeJP	NA	NA
+PJ024598	GGGGGPCCM 	C26H43N9O10S3	737.2296	NA	PeJP	NA	NA
+PJ024599	GDDDMW 	C30H39N7O13S	737.2327	NA	PeJP	NA	NA
+PJ024600	GSSDDEE 	C26H39N7O18	737.2352	NA	PeJP	NA	NA
+PJ024601	GSPCDEM 	C27H43N7O13S2	737.2361	NA	PeJP	NA	NA
+PJ024602	GPPCCMM 	C28H47N7O8S4	737.2369	NA	PeJP	NA	NA
+PJ024603	SCNNDW 	C29H39N9O12S	737.2439	NA	PeJP	NA	NA
+PJ024604	SSSNNDD 	C25H39N9O17	737.2464	NA	PeJP	NA	NA
+PJ024605	SSSSCMH 	C26H43N9O12S2	737.2473	NA	PeJP	NA	NA
+PJ024606	CDEWW 	C34H39N7O10S	737.2479	NA	PeJP	NA	NA
+PJ024607	SSDDEW 	C30H39N7O15	737.2504	NA	PeJP	NA	NA
+PJ024608	GGPDDDY 	C30H39N7O15	737.2505	NA	PeJP	NA	NA
+PJ024609	SPCDMW 	C31H43N7O10S2	737.2513	NA	PeJP	NA	NA
+PJ024610	SNEEEM 	C27H43N7O15S	737.2538	NA	PeJP	NA	NA
+PJ024611	DDYYY 	C35H39N5O13	737.2544	NA	PeJP	NA	NA
+PJ024612	PNDMMM 	C28H47N7O10S3	737.2547	NA	PeJP	NA	NA
+MJ092526	Fosveset 	C33H44N3O14P	737.256089	NA	MeJP	NA	NA
+PJ024613	CCNNER 	C25H43N11O11S2	737.2585	NA	PeJP	NA	NA
+PJ024614	MMMYY 	C33H47N5O8S3	737.2587	NA	PeJP	NA	NA
+PJ024615	NNNDDF 	C29H39N9O14	737.2617	NA	PeJP	NA	NA
+PJ024616	GCNQMW 	C30H43N9O9S2	737.2625	NA	PeJP	NA	NA
+PJ024617	GGGCQMW 	C30H43N9O9S2	737.2626	NA	PeJP	NA	NA
+PJ024618	SCDEER 	C26H43N9O14S	737.265	NA	PeJP	NA	NA
+PJ024619	SDDDMR 	C26H43N9O14S	737.2651	NA	PeJP	NA	NA
+PJ024620	PCCEMR 	C27H47N9O9S3	737.2659	NA	PeJP	NA	NA
+PJ024621	CNNNHH 	C27H39N13O10S	737.2664	NA	PeJP	NA	NA
+PJ024622	GSEEMW 	C31H43N7O12S	737.2691	NA	PeJP	NA	NA
+PJ024623	APCMMW 	C32H47N7O7S3	737.2699	NA	PeJP	NA	NA
+PJ024624	GSSTEEE 	C27H43N7O17	737.2716	NA	PeJP	NA	NA
+PJ024625	AQEEMM 	C28H47N7O12S2	737.2724	NA	PeJP	NA	NA
+PJ024626	SNDEHH 	C28H39N11O13	737.2729	NA	PeJP	NA	NA
+PJ024627	DMFYY 	C36H43N5O10S	737.2731	NA	PeJP	NA	NA
+PJ024628	GCCNRW 	C29H43N11O8S2	737.2738	NA	PeJP	NA	NA
+PJ024629	GSSCNDR 	C25H43N11O13S	737.2763	NA	PeJP	NA	NA
+PJ024630	SSNNMW 	C30H43N9O11S	737.2803	NA	PeJP	NA	NA
+PJ024631	SSSSNQE 	C26H43N9O16	737.2828	NA	PeJP	NA	NA
+PJ024632	GDEMMR 	C27H47N9O11S2	737.2837	NA	PeJP	NA	NA
+PJ024633	SEMWW 	C35H43N7O9S	737.2843	NA	PeJP	NA	NA
+PJ024634	SSTEEW 	C31H43N7O14	737.2868	NA	PeJP	NA	NA
+PJ024635	AAEMMW 	C32H47N7O9S2	737.2877	NA	PeJP	NA	NA
+PJ024636	GSDHHW 	C32H39N11O10	737.2882	NA	PeJP	NA	NA
+PJ024637	SDKEEM 	C28H47N7O14S	737.2902	NA	PeJP	NA	NA
+PJ024638	TEYYY 	C36H43N5O12	737.2908	NA	PeJP	NA	NA
+PJ024639	PTQMMM 	C29H51N7O9S3	737.2911	NA	PeJP	NA	NA
+PJ024640	GQEMHH 	C29H43N11O10S	737.2915	NA	PeJP	NA	NA
+PJ024641	GGAEMHH 	C29H43N11O10S	737.2916	NA	PeJP	NA	NA
+PJ024642	MMFFY 	C37H47N5O7S2	737.2917	NA	PeJP	NA	NA
+PJ024643	SCNQMR 	C26H47N11O10S2	737.2949	NA	PeJP	NA	NA
+PJ024644	GCQHFF 	C34H43N9O8S	737.2956	NA	PeJP	NA	NA
+PJ024645	ASSSSHY 	C30H43N9O13	737.298	NA	PeJP	NA	NA
+PJ024646	GSSSSQW 	C30H43N9O13	737.2981	NA	PeJP	NA	NA
+PJ024647	DMMRW 	C31H47N9O8S2	737.2989	NA	PeJP	NA	NA
+PJ024648	PCFWW 	C39H43N7O6S	737.2996	NA	PeJP	NA	NA
+PJ024649	SSEEMR 	C27H47N9O13S	737.3014	NA	PeJP	NA	NA
+PJ024650	GSPEYW 	C35H43N7O11	737.3021	NA	PeJP	NA	NA
+PJ024651	PTCMMR 	C28H51N9O8S3	737.3023	NA	PeJP	NA	NA
+PJ024652	GCEHHR 	C28H43N13O9S	737.3028	NA	PeJP	NA	NA
+PJ024653	CLMWW 	C36H47N7O6S2	737.3029	NA	PeJP	NA	NA
+PJ024654	ATTEMW 	C32H47N7O11S	737.3054	NA	PeJP	NA	NA
+PJ024655	VTTCEW 	C32H47N7O11S	737.3055	NA	PeJP	NA	NA
+PJ024656	DFFFY 	C40H43N5O9	737.3061	NA	PeJP	NA	NA
+PJ024657	GGSCCRR 	C25H47N13O9S2	737.3062	NA	PeJP	NA	NA
+PJ024658	QMHHW 	C33H43N11O7S	737.3068	NA	PeJP	NA	NA
+PJ024659	SSSSLEE 	C28H47N7O16	737.3079	NA	PeJP	NA	NA
+PJ024660	AKEEMM 	C29H51N7O11S2	737.3088	NA	PeJP	NA	NA
+PJ024661	GNNDRY 	C29H43N11O12	737.3093	NA	PeJP	NA	NA
+PJ024662	VMYYY 	C37H47N5O9S	737.3095	NA	PeJP	NA	NA
+PJ024663	GNHHHH 	C30H39N15O8	737.3106	NA	PeJP	NA	NA
+PJ024664	GGGHHHH 	C30H39N15O8	737.3107	NA	PeJP	NA	NA
+PJ024665	GSSSNMR 	C26H47N11O12S	737.3127	NA	PeJP	NA	NA
+PJ024666	NQQYW 	C34H43N9O10	737.3133	NA	PeJP	NA	NA
+PJ024667	SSCQKW 	C31H47N9O10S	737.3167	NA	PeJP	NA	NA
+PJ024668	SPYWW 	C39H43N7O8	737.3173	NA	PeJP	NA	NA
+PJ024669	CHHRW 	C32H43N13O6S	737.318	NA	PeJP	NA	NA
+PJ024670	SSSSNKE 	C27H47N9O15	737.3192	NA	PeJP	NA	NA
+C16567	Homotrypanothione	C28H51N9O10S2	737.32	NA	KEGG	NA	NA
+PJ024671	SNQKMM 	C28H51N9O10S2	737.32	NA	PeJP	NA	NA
+PJ024672	ATEMMR 	C28H51N9O10S2	737.3201	NA	PeJP	NA	NA
+PJ024673	SSDHHR 	C28H43N13O11	737.3205	NA	PeJP	NA	NA
+PJ024674	AAPMYW 	C36H47N7O8S	737.3207	NA	PeJP	NA	NA
+PJ024675	TTTTEW 	C32H47N7O13	737.3232	NA	PeJP	NA	NA
+PJ024676	GTLMMW 	C33H51N7O8S2	737.3241	NA	PeJP	NA	NA
+PJ024677	ASTHHW 	C33H43N11O9	737.3245	NA	PeJP	NA	NA
+PJ024678	GTTHHW 	C33H43N11O9	737.3246	NA	PeJP	NA	NA
+PJ024679	MFFFF 	C41H47N5O6S	737.3247	NA	PeJP	NA	NA
+PJ024680	TTKEEM 	C29H51N7O13S	737.3266	NA	PeJP	NA	NA
+PJ024681	PTKMMM 	C30H55N7O8S3	737.3275	NA	PeJP	NA	NA
+PJ024682	GNNMFR 	C30H47N11O9S	737.3279	NA	PeJP	NA	NA
+PJ024683	SSSSSQR 	C26H47N11O14	737.3304	NA	PeJP	NA	NA
+PJ024684	SCNKMR 	C27H51N11O9S2	737.3313	NA	PeJP	NA	NA
+PJ024685	APPMHW 	C35H47N9O7S	737.332	NA	PeJP	NA	NA
+PJ024686	GSSSSKW 	C31H47N9O12	737.3344	NA	PeJP	NA	NA
+PJ024687	GVDERY 	C31H47N9O12	737.3345	NA	PeJP	NA	NA
+PJ024688	ACCKKW 	C32H51N9O7S2	737.3353	NA	PeJP	NA	NA
+PJ024689	PPNHHH 	C32H43N13O8	737.3358	NA	PeJP	NA	NA
+PJ024690	TTTEMR 	C28H51N9O12S	737.3378	NA	PeJP	NA	NA
+PJ024691	LQEYW 	C36H47N7O10	737.3385	NA	PeJP	NA	NA
+PJ024692	GLMMMR 	C29H55N9O7S3	737.3387	NA	PeJP	NA	NA
+PJ024693	GTMHHR 	C29H47N13O8S	737.3392	NA	PeJP	NA	NA
+PJ024694	STTLMW 	C33H51N7O10S	737.3418	NA	PeJP	NA	NA
+PJ024695	GGVVEMF 	C33H51N7O10S	737.3419	NA	PeJP	NA	NA
+PJ024696	VFFYY 	C41H47N5O8	737.3425	NA	PeJP	NA	NA
+PJ024697	KMHHW 	C34H47N11O6S	737.3432	NA	PeJP	NA	NA
+PJ024698	SSTTTLE 	C29H51N7O15	737.3443	NA	PeJP	NA	NA
+PJ024699	SLKEMM 	C30H55N7O10S2	737.3452	NA	PeJP	NA	NA
+PJ024700	DERRY 	C30H47N11O11	737.3457	NA	PeJP	NA	NA
+PJ024701	GSSTCKR 	C27H51N11O11S	737.349	NA	PeJP	NA	NA
+PJ024702	VDRYW 	C35H47N9O9	737.3497	NA	PeJP	NA	NA
+PJ024703	SSCKKW 	C32H51N9O9S	737.3531	NA	PeJP	NA	NA
+PJ024704	ALYWW 	C40H47N7O7	737.3537	NA	PeJP	NA	NA
+PJ024705	SSSSDKK 	C28H51N9O14	737.3556	NA	PeJP	NA	NA
+PJ024706	STLMMR 	C29H55N9O9S2	737.3564	NA	PeJP	NA	NA
+PJ024707	GGSKKMM 	C29H55N9O9S2	737.3565	NA	PeJP	NA	NA
+PJ024708	STTHHR 	C29H47N13O10	737.3569	NA	PeJP	NA	NA
+PJ024709	AALMFW 	C37H51N7O7S	737.3571	NA	PeJP	NA	NA
+PJ024710	GLKEEY 	C33H51N7O12	737.3596	NA	PeJP	NA	NA
+PJ024711	PCLKMF 	C34H55N7O7S2	737.3605	NA	PeJP	NA	NA
+PJ024712	GPNKHW 	C34H47N11O8	737.3609	NA	PeJP	NA	NA
+PJ024713	GGGPKHW 	C34H47N11O8	737.361	NA	PeJP	NA	NA
+7754	soymorphin-6	YPFVVN	737.3619	antioxidative	Inhouse_peptide	NA	peptide
+7480	ACE inhibitor (fragment of as2-casein)	FALPQY	737.362	antioxidative	Inhouse_peptide	NA	peptide
+PJ024714	SSSTLLM 	C30H55N7O12S	737.363	NA	PeJP	NA	NA
+PJ024715	VVKMMM 	C31H59N7O7S3	737.3638	NA	PeJP	NA	NA
+PJ024716	EMFRR 	C31H51N11O8S	737.3643	NA	PeJP	NA	NA
+PJ024717	PLHWW 	C39H47N9O6	737.365	NA	PeJP	NA	NA
+PJ024718	SSSSSKR 	C27H51N11O13	737.3668	NA	PeJP	NA	NA
+PJ024719	TCCKKR 	C28H55N11O8S2	737.3677	NA	PeJP	NA	NA
+PJ024720	VMFRW 	C36H51N9O6S	737.3683	NA	PeJP	NA	NA
+PJ024721	GTLERY 	C32H51N9O11	737.3708	NA	PeJP	NA	NA
+PJ024722	GGGPPPKE 	C32H51N9O11	737.3709	NA	PeJP	NA	NA
+PJ024723	AAHHFR 	C33H47N13O7	737.3722	NA	PeJP	NA	NA
+PJ024724	GSSTKKM 	C29H55N9O11S	737.3742	NA	PeJP	NA	NA
+PJ024725	LKEYW 	C37H51N7O9	737.3748	NA	PeJP	NA	NA
+PJ024726	GSLLYW 	C37H51N7O9	737.3749	NA	PeJP	NA	NA
+PJ024727	SPLKMY 	C34H55N7O9S	737.3782	NA	PeJP	NA	NA
+PJ024728	TTTTTTL 	C30H55N7O14	737.3807	NA	PeJP	NA	NA
+PJ024729	GSQKRY 	C31H51N11O10	737.3821	NA	PeJP	NA	NA
+PJ024730	TLRYW 	C36H51N9O8	737.3861	NA	PeJP	NA	NA
+MJ092527	Bufotalin; 3-Histidinylsuberoyl 	C40H55N3O10	737.388744	NA	MeJP	NA	NA
+PJ024731	GVLMRY 	C33H55N9O8S	737.3895	NA	PeJP	NA	NA
+PJ024732	SSSTTKK 	C29H55N9O13	737.3919	NA	PeJP	NA	NA
+PJ024733	TCKKKM 	C30H59N9O8S2	737.3928	NA	PeJP	NA	NA
+PJ024734	SPNKHR 	C30H51N13O9	737.3933	NA	PeJP	NA	NA
+PJ024735	SVLKEY 	C34H55N7O11	737.396	NA	PeJP	NA	NA
+PJ024736	PFRRY 	C35H51N11O7	737.3973	NA	PeJP	NA	NA
+PJ024737	LMRRY 	C32H55N11O7S	737.4007	NA	PeJP	NA	NA
+PJ024738	AAQHRR 	C29H51N15O8	737.4045	NA	PeJP	NA	NA
+PJ024739	GGGVHRR 	C29H51N15O8	737.4046	NA	PeJP	NA	NA
+PJ024740	SSLLRY 	C33H55N9O10	737.4072	NA	PeJP	NA	NA
+PJ024741	APLKFY 	C38H55N7O8	737.4112	NA	PeJP	NA	NA
+PJ024742	GAALLFF 	C38H55N7O8	737.4113	NA	PeJP	NA	NA
+MJ092528	Microginin 91C; 10-Chloro 	C37H60ClN5O8	737.413041	NA	MeJP	NA	NA
+PJ024743	ALLKMY 	C35H59N7O8S	737.4146	NA	PeJP	NA	NA
+PJ024744	NHRRR 	C28H51N17O7	737.4158	NA	PeJP	NA	NA
+PJ024745	VVQQKH 	C32H55N11O9	737.4184	NA	PeJP	NA	NA
+PJ024746	GSKKRY 	C32H55N11O9	737.4185	NA	PeJP	NA	NA
+PJ024747	GLLLHW 	C37H55N9O7	737.4225	NA	PeJP	NA	NA
+PJ024748	GKKKMF 	C34H59N9O7S	737.4259	NA	PeJP	NA	NA
+PJ024749	PPVNRR 	C31H55N13O8	737.4297	NA	PeJP	NA	NA
+PJ024750	TTLLKY 	C35H59N7O10	737.4324	NA	PeJP	NA	NA
+PJ024751	LFFRR 	C36H55N11O6	737.4337	NA	PeJP	NA	NA
+MJ092529	16,28-Secosolanida-5,22(28)-diene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H63NO12	737.435026	NA	MeJP	NA	NA
+MJ092530	Spirosol-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H63NO12	737.435026	NA	MeJP	NA	NA
+PJ024752	GPPRRR 	C30H55N15O7	737.4409	NA	PeJP	NA	NA
+PJ024753	ATKKKY 	C34H59N9O9	737.4436	NA	PeJP	NA	NA
+PJ024754	PPLLLW 	C39H59N7O7	737.4476	NA	PeJP	NA	NA
+PJ024755	SLLLHR 	C33H59N11O8	737.4548	NA	PeJP	NA	NA
+PJ024756	GGVLKKH 	C33H59N11O8	737.4549	NA	PeJP	NA	NA
+PJ024757	GLKKHR 	C32H59N13O7	737.4661	NA	PeJP	NA	NA
+PJ024758	SPPVLLL 	C36H63N7O9	737.4688	NA	PeJP	NA	NA
+MJ092531	16,28-Secosolanid-5-ene-3,16-diol, N-Me, 3-O-[?-L-rhamnopyranosyl(1?2)-?-D-glucopyranoside] 	C40H67NO11	737.471411	NA	MeJP	NA	NA
+PJ024759	GPPVLKK 	C35H63N9O8	737.48	NA	PeJP	NA	NA
+PJ024760	PPLKKR 	C34H63N11O7	737.4912	NA	PeJP	NA	NA
+HMDB08845	PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB08846	PE(14:0/22:5(7Z,10Z,13Z,16Z,19Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB08877	PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB08939	PE(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB08970	PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB08971	PE(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09030	PE(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09063	PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09094	PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09095	PE(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09126	PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09159	PE(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09190	PE(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09191	PE(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09386	PE(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09419	PE(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09451	PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09581	PE(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09613	PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+HMDB09646	PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)	C41H72NO8P	737.499573	NA	HMDB2010	NA	NA
+PJ024761	APVLLLL 	C37H67N7O8	737.5051	NA	PeJP	NA	NA
+MJ092532	Ternatin 	C37H67N7O8	737.505112	NA	MeJP	NA	NA
+PJ024762	GPLLLLL 	C37H67N7O8	737.5052	NA	PeJP	NA	NA
+MJ092533	Batzelladine B 	C40H67N9O4	737.531601	NA	MeJP	NA	NA
+HMDB08258	PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)	C42H76NO7P	737.53595	NA	HMDB2010	NA	NA
+HMDB11214	PC(P-16:0/18:4(6Z,9Z,12Z,15Z))	C42H76NO7P	737.53595	NA	HMDB2010	NA	NA
+MJ092534	[4,4'-Biphenylenebis(sulfonyliminoethylene)]bis(trimethylammonium)(2+); Diiodide 	C22H36I2N4O4S2	738.026733	NA	MeJP	NA	NA
+MetaCyc04083	molybdopterin guanine dinucleotide [MGD;MPT-GMP;]	C20H24N10O13P2S2	738.044095	NA	metacyc	NA	NA
+FL2FAAGS0026	Naringenin 7-(4,6-digalloylglucoside);5,7,4'-Trihydroxyflavanone 7-(4,6-digalloylglucoside)	C35H30O18	738.14321	231289-24-0	knapsack	NA	NA
+MJ092535	4',5,7-Trihydroxyflavanone, 7-O-[4,6-Di-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C35H30O18	738.143214	NA	MeJP	NA	NA
+MJ092536	Intricatetraol 	C30H54Br2Cl2O6	738.16642	NA	MeJP	NA	NA
+PJ024763	GCCCCNH 	C24H38N10O9S4	738.1706	NA	PeJP	NA	NA
+PJ024764	GGGCCCCH 	C24H38N10O9S4	738.1707	NA	PeJP	NA	NA
+PJ024765	CCDMMH 	C26H42N8O9S4	738.1958	NA	PeJP	NA	NA
+FL5FCAGS0013	Kaempferol 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside];Rhamnocitrin-3-O-{[3-hydroxy-3-methylglutaroyl(1->6)][beta-D-apiofuranosyl(1->2)]}-beta-D-galactopyranoside	C33H38O19	738.20072	419545-85-0	knapsack	NA	NA
+MJ092537	Vitexin; O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] 	C33H38O19	738.200729	NA	MeJP	NA	NA
+PJ024766	DDDDEM 	C26H38N6O17S	738.2015	NA	PeJP	NA	NA
+PJ024767	GCCNNND 	C24H38N10O13S2	738.2062	NA	PeJP	NA	NA
+PJ024768	CCDDHF 	C29H38N8O11S2	738.2102	NA	PeJP	NA	NA
+PJ024769	GSCNDDE 	C25H38N8O16S	738.2127	NA	PeJP	NA	NA
+PJ024770	GPCCNDM 	C26H42N8O11S3	738.2135	NA	PeJP	NA	NA
+PJ024771	GGGPCCDM 	C26H42N8O11S3	738.2136	NA	PeJP	NA	NA
+PJ024772	CCCHHH 	C27H38N12O7S3	738.2149	NA	PeJP	NA	NA
+FL3FAAGS0070	Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside);7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C37H38O16	738.21598	474658-75-8	knapsack	NA	NA
+PJ024773	GCCMYY 	C31H42N6O9S3	738.2176	NA	PeJP	NA	NA
+PJ024774	SCNDDW 	C29H38N8O13S	738.2279	NA	PeJP	NA	NA
+PJ024775	PCCCQW 	C30H42N8O8S3	738.2288	NA	PeJP	NA	NA
+PJ024776	SSSNDDD 	C25H38N8O18	738.2304	NA	PeJP	NA	NA
+PJ024777	NNDDMM 	C26H42N8O13S2	738.2313	NA	PeJP	NA	NA
+PJ024778	SCMMMH 	C27H46N8O8S4	738.2322	NA	PeJP	NA	NA
+PJ024779	PDDDDY 	C30H38N6O16	738.2345	NA	PeJP	NA	NA
+PJ024780	STCCYY 	C31H42N6O11S2	738.2353	NA	PeJP	NA	NA
+FL3FABGS0019	Acacetin 7-(2G-rhamnosyl)-rutinoside;Apigenin 4'-methyl ether 7-(2G-rhamnosyl)-rutinoside;Neobudofficide;7-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O18	738.23711	194602-91-0	knapsack	NA	NA
+FL5F39GS0002	3,7-Dihydroxy-8-methylflavone 7-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside;7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-3-hydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one	C34H42O18	738.23711	261915-70-2	knapsack	NA	NA
+MJ092538	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C34H42O18	738.237114	NA	MeJP	NA	NA
+MJ092539	Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-(4-hydroxy-3-methoxycinnamoyl) 	C34H42O18	738.237114	NA	MeJP	NA	NA
+PJ024781	SDEEEM 	C27H42N6O16S	738.2378	NA	PeJP	NA	NA
+PJ024782	PDDMMM 	C28H46N6O11S3	738.2387	NA	PeJP	NA	NA
+PJ024783	CCNDER 	C25H42N10O12S2	738.2425	NA	PeJP	NA	NA
+PJ024784	GGGGGSCNM 	C25H42N10O12S2	738.2426	NA	PeJP	NA	NA
+PJ024785	NNDDDF 	C29H38N8O15	738.2457	NA	PeJP	NA	NA
+PJ024786	GCNEMW 	C30H42N8O10S2	738.2466	NA	PeJP	NA	NA
+PJ024787	GSSNDEM 	C26H42N8O15S	738.2491	NA	PeJP	NA	NA
+PJ024788	GSPCNMM 	C27H46N8O10S3	738.2499	NA	PeJP	NA	NA
+PJ024789	CNNDHH 	C27H38N12O11S	738.2504	NA	PeJP	NA	NA
+PJ024790	GCCFFY 	C35H42N6O8S2	738.2506	NA	PeJP	NA	NA
+PJ024791	PDDDMF 	C31H42N6O13S	738.2531	NA	PeJP	NA	NA
+PJ024792	AEEEMM 	C28H46N6O13S2	738.2565	NA	PeJP	NA	NA
+PJ024793	SDDEHH 	C28H38N10O14	738.2569	NA	PeJP	NA	NA
+MJ092540	Caymandimerine 	C44H38N2O9	738.25773	NA	MeJP	NA	NA
+MJ092541	Chelerythridimerine; N-De-Me 	C44H38N2O9	738.25773	NA	MeJP	NA	NA
+PJ024794	GCCDRW 	C29H42N10O9S2	738.2578	NA	PeJP	NA	NA
+PJ024795	GSSCDDR 	C25H42N10O14S	738.2603	NA	PeJP	NA	NA
+PJ024796	GPTCCCR 	C26H46N10O9S3	738.2612	NA	PeJP	NA	NA
+PJ024797	CNMWW 	C34H42N8O7S2	738.2618	NA	PeJP	NA	NA
+PJ024798	SSNDMW 	C30H42N8O12S	738.2643	NA	PeJP	NA	NA
+PJ024799	PCCCKW 	C31H46N8O7S3	738.2652	NA	PeJP	NA	NA
+PJ024800	SSSSNEE 	C26H42N8O17	738.2668	NA	PeJP	NA	NA
+PJ024801	SNQEMM 	C27H46N8O12S2	738.2677	NA	PeJP	NA	NA
+PJ024802	CQYYY 	C35H42N6O10S	738.2683	NA	PeJP	NA	NA
+PJ024803	SPDEEY 	C31H42N6O15	738.2708	NA	PeJP	NA	NA
+PJ024804	GEEEEF 	C31H42N6O15	738.2709	NA	PeJP	NA	NA
+PJ024805	PPCEMY 	C32H46N6O10S2	738.2717	NA	PeJP	NA	NA
+MJ092542	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-methoxy-E-cinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C35H46O17	738.2735	NA	MeJP	NA	NA
+MJ092543	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O17	738.2735	NA	MeJP	NA	NA
+PJ024806	TTEEEM 	C28H46N6O15S	738.2742	NA	PeJP	NA	NA
+PJ024807	PTEMMM 	C29H50N6O10S3	738.2751	NA	PeJP	NA	NA
+PJ024808	CNNNQF 	C29H42N10O11S	738.2755	NA	PeJP	NA	NA
+PJ024809	GGCNNQF 	C29H42N10O11S	738.2756	NA	PeJP	NA	NA
+PJ024810	GSSSSSNN 	C25H42N10O16	738.278	NA	PeJP	NA	NA
+PJ024811	GGGSSSSSN 	C25H42N10O16	738.2781	NA	PeJP	NA	NA
+PJ024812	SCNEMR 	C26H46N10O11S2	738.2789	NA	PeJP	NA	NA
+PJ024813	GSTCWW 	C34H42N8O9S	738.2796	NA	PeJP	NA	NA
+PJ024814	GSSSSEW 	C30H42N8O14	738.2821	NA	PeJP	NA	NA
+MJ092544	Rifamycin P 	C38H46N2O11S	738.282231	NA	MeJP	NA	NA
+PJ024815	GSQMMW 	C31H46N8O9S2	738.2829	NA	PeJP	NA	NA
+PJ024816	GGGTMMW 	C31H46N8O9S2	738.283	NA	PeJP	NA	NA
+PJ024817	GSSTQEM 	C27H46N8O14S	738.2854	NA	PeJP	NA	NA
+PJ024818	GGGSTTEM 	C27H46N8O14S	738.2855	NA	PeJP	NA	NA
+PJ024819	EEEFW 	C35H42N6O12	738.2861	NA	PeJP	NA	NA
+PJ024820	AQQMMM 	C28H50N8O9S3	738.2863	NA	PeJP	NA	NA
+PJ024821	SNNMHH 	C28H42N12O10S	738.2868	NA	PeJP	NA	NA
+MJ092545	Febrinin B; 30-O-Deacetyl, 30-O-propanoyl 	C39H46O14	738.288756	NA	MeJP	NA	NA
+MJ092546	Meliacarpinin; 11-Methoxy, 1-cinnamoyl, 3-Ac 	C39H46O14	738.288756	NA	MeJP	NA	NA
+PJ024822	APEEMY 	C32H46N6O12S	738.2895	NA	PeJP	NA	NA
+PJ024823	SCCDRR 	C25H46N12O10S2	738.2902	NA	PeJP	NA	NA
+PJ024824	EMHHW 	C33H42N10O8S	738.2908	NA	PeJP	NA	NA
+PJ024825	SLEEMM 	C29H50N6O12S2	738.2928	NA	PeJP	NA	NA
+PJ024826	GNDDRY 	C29H42N10O13	738.2933	NA	PeJP	NA	NA
+PJ024827	PVMMMM 	C30H54N6O7S4	738.2937	NA	PeJP	NA	NA
+PJ024828	GSCMRW 	C30H46N10O8S2	738.2942	NA	PeJP	NA	NA
+PJ024829	GDHHHH 	C30H38N14O9	738.2947	NA	PeJP	NA	NA
+PJ024830	CHFFW 	C38H42N8O6S	738.2948	NA	PeJP	NA	NA
+MJ092547	3,6,24-Trihydroxycholest-9(11)-en-23-one, 6-O-(6-Deoxy-4-O-sulfo-?-D-glucopyranoside), 3-O-sulfate 	C33H54O14S2	738.295497	NA	MeJP	NA	NA
+PJ024831	GSSSDMR 	C26H46N10O13S	738.2967	NA	PeJP	NA	NA
+PJ024832	SSSSWW 	C34H42N8O11	738.2973	NA	PeJP	NA	NA
+PJ024833	GNMMMR 	C27H50N10O8S3	738.2976	NA	PeJP	NA	NA
+PJ024834	SSTQMW 	C31H46N8O11S	738.3007	NA	PeJP	NA	NA
+PJ024835	SSSSDKE 	C27H46N8O16	738.3032	NA	PeJP	NA	NA
+PJ024836	SNKEMM 	C28H50N8O11S2	738.3041	NA	PeJP	NA	NA
+PJ024837	GSSSQHH 	C28H42N12O12	738.3045	NA	PeJP	NA	NA
+PJ024838	GGGSSTHH 	C28H42N12O12	738.3046	NA	PeJP	NA	NA
+PJ024839	CKYYY 	C36H46N6O9S	738.3047	NA	PeJP	NA	NA
+PJ024840	GLEEEY 	C32H46N6O14	738.3072	NA	PeJP	NA	NA
+PJ024841	PPTMMY 	C33H50N6O9S2	738.3081	NA	PeJP	NA	NA
+PJ024842	GPNEHW 	C33H42N10O10	738.3086	NA	PeJP	NA	NA
+PJ024843	ACCMRR 	C26H50N12O7S3	738.3088	NA	PeJP	NA	NA
+MJ092548	11,12-Epoxy-2,3,5,7,8,9,15-heptahydroxy-6(17)-jatrophen-14-one, 7-(2-Methylpropanoyl), 2,3,5,8,9,15-hexa-Ac 	C36H50O16	738.309885	NA	MeJP	NA	NA
+MJ092549	Terracinolide A; 6-Debenzoyl, 15-de-Ac, 6-Ac 	C36H50O16	738.309885	NA	MeJP	NA	NA
+MJ092550	Terracinolide A; 6-Debenzoyl, 3-de-Ac, 6-Ac 	C36H50O16	738.309885	NA	MeJP	NA	NA
+PJ024844	VVEMMM 	C30H54N6O9S3	738.3115	NA	PeJP	NA	NA
+PJ024845	SSTCRW 	C30H46N10O10S	738.3119	NA	PeJP	NA	NA
+PJ024846	GGGDMFR 	C30H46N10O10S	738.312	NA	PeJP	NA	NA
+PJ024847	GQYWW 	C38H42N8O8	738.3126	NA	PeJP	NA	NA
+PJ024848	SSSSSER 	C26H46N10O15	738.3144	NA	PeJP	NA	NA
+PJ024849	SSQMMR 	C27H50N10O10S2	738.3153	NA	PeJP	NA	NA
+PJ024850	QQMFW 	C35H46N8O8S	738.3159	NA	PeJP	NA	NA
+PJ024851	GAQMFW 	C35H46N8O8S	738.316	NA	PeJP	NA	NA
+PJ024852	ASSSTTW 	C31H46N8O13	738.3184	NA	PeJP	NA	NA
+PJ024853	GSSTTTW 	C31H46N8O13	738.3185	NA	PeJP	NA	NA
+MJ092551	Damalachawin 	C47H46O8	738.319268	NA	MeJP	NA	NA
+PJ024854	GSKMMW 	C32H50N8O8S2	738.3193	NA	PeJP	NA	NA
+PJ024855	GNQHHF 	C32H42N12O9	738.3198	NA	PeJP	NA	NA
+PJ024856	GSSTKEM 	C28H50N8O13S	738.3218	NA	PeJP	NA	NA
+PJ024857	LEEYW 	C36H46N6O11	738.3225	NA	PeJP	NA	NA
+PJ024858	AQKMMM 	C29H54N8O8S3	738.3227	NA	PeJP	NA	NA
+PJ024859	SCQKHH 	C29H46N12O9S	738.3232	NA	PeJP	NA	NA
+PJ024860	PNHWW 	C37H42N10O7	738.3238	NA	PeJP	NA	NA
+PJ024861	SPLEMY 	C33H50N6O11S	738.3258	NA	PeJP	NA	NA
+PJ024862	PVTEMY 	C33H50N6O11S	738.3259	NA	PeJP	NA	NA
+PJ024863	SSCMRR 	C26H50N12O9S2	738.3265	NA	PeJP	NA	NA
+PJ024864	CQFRW 	C34H46N10O7S	738.3272	NA	PeJP	NA	NA
+PJ024865	GSQERY 	C30H46N10O12	738.3297	NA	PeJP	NA	NA
+PJ024866	ALMMHH 	C31H50N10O7S2	738.3306	NA	PeJP	NA	NA
+PJ024867	ATHHHH 	C31H42N14O8	738.331	NA	PeJP	NA	NA
+PJ024868	GSSTTMR 	C27H50N10O12S	738.3331	NA	PeJP	NA	NA
+PJ024869	NKEYW 	C35H46N8O10	738.3337	NA	PeJP	NA	NA
+PJ024870	ACKMMR 	C28H54N10O7S3	738.3339	NA	PeJP	NA	NA
+PJ024871	SSTKMW 	C32H50N8O10S	738.3371	NA	PeJP	NA	NA
+PJ024872	SSSTTKE 	C28H50N8O15	738.3396	NA	PeJP	NA	NA
+PJ024873	SDKKMM 	C29H54N8O10S2	738.3405	NA	PeJP	NA	NA
+PJ024874	SPNEHR 	C29H46N12O11	738.3409	NA	PeJP	NA	NA
+PJ024875	GGGGGGLQH 	C29H46N12O11	738.341	NA	PeJP	NA	NA
+PJ024876	PPCLFY 	C37H50N6O8S	738.3411	NA	PeJP	NA	NA
+PJ024877	SVLEEY 	C33H50N6O13	738.3436	NA	PeJP	NA	NA
+PJ024878	PVVMMY 	C34H54N6O8S2	738.3445	NA	PeJP	NA	NA
+PJ024879	SQRYW 	C34H46N10O9	738.3449	NA	PeJP	NA	NA
+PJ024880	GGTRYW 	C34H46N10O9	738.345	NA	PeJP	NA	NA
+PJ024881	TLLMMM 	C31H58N6O8S3	738.3479	NA	PeJP	NA	NA
+PJ024882	AAQMRY 	C31H50N10O9S	738.3483	NA	PeJP	NA	NA
+PJ024883	GKYWW 	C39H46N8O7	738.349	NA	PeJP	NA	NA
+PJ024884	SSSTTTR 	C27H50N10O14	738.3508	NA	PeJP	NA	NA
+PJ024885	SSKMMR 	C28H54N10O9S2	738.3517	NA	PeJP	NA	NA
+PJ024886	GNQQHR 	C28H46N14O10	738.3522	NA	PeJP	NA	NA
+PJ024887	QKMFW 	C36H50N8O7S	738.3523	NA	PeJP	NA	NA
+PJ024888	GAKMFW 	C36H50N8O7S	738.3524	NA	PeJP	NA	NA
+PJ024889	GDKKEY 	C32H50N8O12	738.3548	NA	PeJP	NA	NA
+PJ024890	GGSLDKY 	C32H50N8O12	738.3549	NA	PeJP	NA	NA
+PJ024891	GSPHRW 	C33H46N12O8	738.3562	NA	PeJP	NA	NA
+8212	RL-Y6Y12/G6G12 - synthetic peptide	AMRLTGNRPCIGAT	738.35765	MH2+	Inhouse_peptide	NA	peptide
+PJ024892	SSSSLKM 	C29H54N8O12S	738.3582	NA	PeJP	NA	NA
+PJ024893	SPPLYY 	C37H50N6O10	738.3589	NA	PeJP	NA	NA
+PJ024894	AKKMMM 	C30H58N8O7S3	738.3591	NA	PeJP	NA	NA
+PJ024895	NMRRY 	C30H50N12O8S	738.3595	NA	PeJP	NA	NA
+PJ024896	GGMRRY 	C30H50N12O8S	738.3596	NA	PeJP	NA	NA
+PJ024897	LHHFW 	C38H46N10O6	738.3602	NA	PeJP	NA	NA
+MJ092552	Nimbolidin A; 1,7-Dideacyl, 1,7-ditigloyl 	C41H54O12	738.361527	NA	MeJP	NA	NA
+PJ024898	ALLEMY 	C34H54N6O10S	738.3622	NA	PeJP	NA	NA
+PJ024899	CKFRW 	C35H50N10O6S	738.3636	NA	PeJP	NA	NA
+PJ024900	GSKERY 	C31H50N10O11	738.3661	NA	PeJP	NA	NA
+PJ024901	DKKYW 	C36H50N8O9	738.3701	NA	PeJP	NA	NA
+PJ024902	APCHRR 	C29H50N14O7S	738.3708	NA	PeJP	NA	NA
+MJ092553	Nudicauline; O14-De-Ac, O14-(2-methylpropanoyl) 	C40H54N2O11	738.37276	NA	MeJP	NA	NA
+PJ024903	GLQKMY 	C33H54N8O9S	738.3735	NA	PeJP	NA	NA
+PJ024904	STTTTTK 	C29H54N8O14	738.376	NA	PeJP	NA	NA
+PJ024905	TTKKMM 	C30H58N8O9S2	738.3768	NA	PeJP	NA	NA
+PJ024906	GSTRRY 	C30H50N12O10	738.3773	NA	PeJP	NA	NA
+PJ024907	PVVMFF 	C38H54N6O7S	738.3775	NA	PeJP	NA	NA
+PJ024908	TTLLEY 	C34H54N6O12	738.38	NA	PeJP	NA	NA
+PJ024909	VVLMMF 	C35H58N6O7S2	738.3809	NA	PeJP	NA	NA
+PJ024910	SKRYW 	C35H50N10O8	738.3813	NA	PeJP	NA	NA
+PJ024911	GGGLLHW 	C35H50N10O8	738.3814	NA	PeJP	NA	NA
+MJ092554	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-(?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-xylo-hexopyranoside) 	C38H58O14	738.382656	NA	MeJP	NA	NA
+MJ092555	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside] 	C38H58O14	738.382656	NA	MeJP	NA	NA
+MJ092556	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C38H58O14	738.382656	NA	MeJP	NA	NA
+MJ092557	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] 	C38H58O14	738.382656	NA	MeJP	NA	NA
+MJ092558	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-O-acetyl-3-O-methyl-?-L-rhamnopyranoside] 	C38H58O14	738.382656	NA	MeJP	NA	NA
+MJ092559	Abogenin; O-Glycoside 	C38H58O14	738.382656	NA	MeJP	NA	NA
+MJ092560	Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C38H58O14	738.382656	NA	MeJP	NA	NA
+PJ024912	AAKMRY 	C32H54N10O8S	738.3847	NA	PeJP	NA	NA
+MJ092561	Stigmastane-3,6,8,15,16,29-hexol, 29-O-(6-O-Sulfo-?-D-glucopyranoside) 	C35H62O14S	738.386027	NA	MeJP	NA	NA
+PJ024913	ANNKHR 	C29H50N14O9	738.3885	NA	PeJP	NA	NA
+PJ024914	AAEHRR 	C29H50N14O9	738.3886	NA	PeJP	NA	NA
+PJ024915	KKMFW 	C37H54N8O6S	738.3887	NA	PeJP	NA	NA
+PJ024916	ATKKEY 	C33H54N8O11	738.3912	NA	PeJP	NA	NA
+PJ024917	GGAPPLLD 	C33H54N8O11	738.3913	NA	PeJP	NA	NA
+PJ024918	LQHRW 	C34H50N12O7	738.3926	NA	PeJP	NA	NA
+PJ024919	APLLYY 	C38H54N6O9	738.3953	NA	PeJP	NA	NA
+PJ024920	APKMHR 	C31H54N12O7S	738.396	NA	PeJP	NA	NA
+PJ024921	SLLLMY 	C35H58N6O9S	738.3986	NA	PeJP	NA	NA
+PJ024922	DHRRR 	C28H50N16O8	738.3998	NA	PeJP	NA	NA
+3433	NA	QKIAEKFSGTRRG	738.39995	MH2+	Inhouse_peptide	NA	peptide
+PJ024923	ATTKRY 	C32H54N10O10	738.4025	NA	PeJP	NA	NA
+PJ024924	PPVLQW 	C37H54N8O8	738.4065	NA	PeJP	NA	NA
+PJ024925	GLKKMY 	C34H58N8O8S	738.4099	NA	PeJP	NA	NA
+MJ092562	34-Ethylhuratoxin; 6,7-Deepoxy, 6-hydroxy, 7-chloro, 15,16,22,23,24,25-hexahydro, 5,20-di-Ac 	C40H63ClO10	738.410975	NA	MeJP	NA	NA
+PJ024926	PPVDRR 	C31H54N12O9	738.4137	NA	PeJP	NA	NA
+2658	synthetic fr,of human beta-CN (143-149) ACE inhibitor	PQTLALP	738.414	NA	Inhouse_peptide	NA	peptide
+PJ024927	APPLRW 	C36H54N10O7	738.4177	NA	PeJP	NA	NA
+MJ092563	3,14,15-Trihydroxypregn-5-en-20-one, Glycoside 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092564	3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[?-D-Xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092565	3,20,25,28-Tetrahydroxystigmastane-6,16-dione, 3-O-?-D-Glucopyranoside, 25,28-Di-Ac 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092566	Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092567	Polypodogenin; 3-O-?-D-Glucopyranoside, 26-O-?-L-rhamnopyranoside 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092568	Polypodogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092569	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092570	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092571	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092572	Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092573	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092574	Spirost-5-ene-3,14-diol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092575	Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092576	Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092577	Spirost-5-ene-3,24-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092578	Spirost-5-ene-3,25-diol 	C39H62O13	738.419042	NA	MeJP	NA	NA
+MJ092579	Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H62O13	738.419042	NA	MeJP	NA	NA
+PJ024928	PVKKMH 	C33H58N10O7S	738.4211	NA	PeJP	NA	NA
+PJ024929	GTLHRR 	C30H54N14O8	738.4249	NA	PeJP	NA	NA
+PJ024930	GGGKKHR 	C30H54N14O8	738.425	NA	PeJP	NA	NA
+PJ024931	STLKKY 	C34H58N8O10	738.4276	NA	PeJP	NA	NA
+MJ092580	Archazolide A 	C42H62N2O7S	738.427773	NA	MeJP	NA	NA
+PJ024932	LKHRW 	C35H54N12O6	738.429	NA	PeJP	NA	NA
+PJ024933	ALLLFY 	C39H58N6O8	738.4316	NA	PeJP	NA	NA
+MJ092581	Edeine; Edeine D 	C33H58N10O9	738.438823	NA	MeJP	NA	NA
+MJ092582	Lagatide 	C33H58N10O9	738.438823	NA	MeJP	NA	NA
+PJ024934	PPLKER 	C33H58N10O9	738.4389	NA	PeJP	NA	NA
+PJ024935	PPVLKW 	C38H58N8O7	738.4429	NA	PeJP	NA	NA
+PJ024936	LLLLMH 	C35H62N8O7S	738.4463	NA	PeJP	NA	NA
+PJ024937	PPTLRR 	C32H58N12O8	738.4501	NA	PeJP	NA	NA
+MJ092583	12-Oleanene-3,22,24,29-tetrol, 3-O-[?-D-Arabinopyranosyl-(1?3)-?-D-arabinopyranoside] 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092584	14-Apotirucallene-3,7,23,24,25-pentol, 7-O-(6-O-?-D-Acetylglucopyranoside), 3-Ac 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092585	20,24-Epoxydammarane-3,12,17,25-tetrol, 12-Ac, 3-O-[6-O-acetyl-?-D-glucopyranoside] 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092586	4-Methylcholesta-8,14-diene-3,23-diol, 3-O-[?-D-Galactopyranosyl(1?2)-?-D-galactopyranoside] 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092587	Antibiotic 5 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092588	Cumingianoside G; 3,3'-Di-Ac 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092589	Cumingianoside G; 3,4'-Di-Ac 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092590	Cumingianoside G; 3,6'-Di-Ac 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092591	Roflamycoin 	C40H66O12	738.455427	NA	MeJP	NA	NA
+MJ092592	1,2-Di-O-acylglycerols; Glycerol 1,2-ditetradecanoate, 3-O-(6-Deoxy-6-sulfo-?-D-glucopyranoside) 	C37H70O12S	738.458798	NA	MeJP	NA	NA
+PJ024938	APPTLLK 	C35H62N8O9	738.464	NA	PeJP	NA	NA
+PJ024939	PLLLQR 	C34H62N10O8	738.4752	NA	PeJP	NA	NA
+PJ024940	GAPLLLR 	C34H62N10O8	738.4753	NA	PeJP	NA	NA
+PJ024941	PVVLRR 	C33H62N12O7	738.4865	NA	PeJP	NA	NA
+MJ092593	Antibiotic RK 955A 	C41H70O11	738.491813	NA	MeJP	NA	NA
+MJ092594	Stigmast-5-en-3-ol, 3-O-[?-D-Fructofuranosyl-(2?1)-?-D-glucopyranos-3-yl] ether 	C41H70O11	738.491813	NA	MeJP	NA	NA
+MJ092595	Stigmast-5-en-3-ol, O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C41H70O11	738.491813	NA	MeJP	NA	NA
+PJ024942	GPVLLLK 	C36H66N8O8	738.5004	NA	PeJP	NA	NA
+PJ024943	PLLLKR 	C35H66N10O7	738.5116	NA	PeJP	NA	NA
+MJ092596	Belamcandone B; Dihydro 	C46H74O7	738.543454	NA	MeJP	NA	NA
+MJ092597	Bacterioruberin; 3''-Deoxy, 2'',3''-didehydro, 3',4'-epoxide 	C50H74O4	738.55871	NA	MeJP	NA	NA
+MJ092598	Haloxanthin 	C50H74O4	738.55871	NA	MeJP	NA	NA
+MJ092599	Iristectorene A; Deacyl, 3-O-(11Z-octadecenoyl) 	C48H82O5	738.616225	NA	MeJP	NA	NA
+MetaCyc04084	2-methyl-6-solanyl-1,4-benzoquinone []	C52H82O2	738.631482	NA	metacyc	NA	NA
+MJ092600	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 10,11-Dihydro, 11-hydroxy 	C45H86O7	738.637355	NA	MeJP	NA	NA
+2983	kinases inhibitor	KKALHRQEAVDAL	738.91045	MH2+	Inhouse_peptide	NA	peptide
+2997	kinases inhibitor	KKALRHQEAVDAL	738.91045	MH2+	Inhouse_peptide	NA	peptide
+MJ092601	Aplyzanzine A 	C25H33Br4N3O3	738.925542	NA	MeJP	NA	NA
+2953	mastoparan from venom of Vespula levissii	INLKALAALAKKIL~	738.99645	MH2+	Inhouse_peptide	NA	peptide
+PJ024944	CCCCCCC 	C21H37N7O8S7	739.0749	NA	PeJP	NA	NA
+PJ024945	GCCCCDH 	C24H37N9O10S4	739.1547	NA	PeJP	NA	NA
+PJ024946	PPCCCCD 	C26H41N7O10S4	739.1798	NA	PeJP	NA	NA
+MJ092602	Bis[N-(2,6-diethylacetanilido)iminodiacetato]technetate(III)(1-) 	C32H40N4O10Tc(-)	739.189484	NA	MeJP	NA	NA
+PJ024947	GCCNNDD 	C24H37N9O14S2	739.1902	NA	PeJP	NA	NA
+PJ024948	GSCCCMH 	C25H41N9O9S4	739.191	NA	PeJP	NA	NA
+PJ024949	GSCDDDE 	C25H37N7O17S	739.1967	NA	PeJP	NA	NA
+PJ024950	GPCCDDM 	C26H41N7O12S3	739.1976	NA	PeJP	NA	NA
+PJ024951	SSTCCCH 	C25H41N9O11S3	739.2088	NA	PeJP	NA	NA
+PJ024952	SCDDDW 	C29H37N7O14S	739.212	NA	PeJP	NA	NA
+PJ024953	PCCCEW 	C30H41N7O9S3	739.2128	NA	PeJP	NA	NA
+PJ024954	SSSDDDD 	C25H37N7O19	739.2144	NA	PeJP	NA	NA
+PJ024955	NDDDMM 	C26H41N7O14S2	739.2153	NA	PeJP	NA	NA
+PJ024956	SPPCCCM 	C27H45N7O9S4	739.2162	NA	PeJP	NA	NA
+PJ024957	CCCQHF 	C29H41N9O8S3	739.2241	NA	PeJP	NA	NA
+PJ024958	GSCCNQE 	C25H41N9O13S2	739.2265	NA	PeJP	NA	NA
+PJ024959	CCDDER 	C25H41N9O13S2	739.2266	NA	PeJP	NA	NA
+PJ024960	NDDDDF 	C29H37N7O16	739.2297	NA	PeJP	NA	NA
+PJ024961	GCDEMW 	C30H41N7O11S2	739.2306	NA	PeJP	NA	NA
+PJ024962	GSSDDEM 	C26H41N7O16S	739.2331	NA	PeJP	NA	NA
+PJ024963	ASPCCEM 	C27H45N7O11S3	739.2339	NA	PeJP	NA	NA
+PJ024964	GSPCDMM 	C27H45N7O11S3	739.234	NA	PeJP	NA	NA
+PJ024965	CNDDHH 	C27H37N11O12S	739.2344	NA	PeJP	NA	NA
+MJ092603	Dactylocycline A; 3'-O-Ac 	C33H42ClN3O14	739.23553	NA	MeJP	NA	NA
+PJ024966	SCCNQW 	C29H41N9O10S2	739.2418	NA	PeJP	NA	NA
+PJ024967	SSSCNNE 	C25H41N9O15S	739.2443	NA	PeJP	NA	NA
+PJ024968	CNNQMM 	C26H45N9O10S3	739.2452	NA	PeJP	NA	NA
+PJ024969	CDMWW 	C34H41N7O8S2	739.2458	NA	PeJP	NA	NA
+PJ024970	SSDDMW 	C30H41N7O13S	739.2483	NA	PeJP	NA	NA
+PJ024971	PTCCMW 	C31H45N7O8S3	739.2492	NA	PeJP	NA	NA
+PJ024972	SSSSDEE 	C26H41N7O18	739.2508	NA	PeJP	NA	NA
+PJ024973	SNEEMM 	C27H45N7O13S2	739.2517	NA	PeJP	NA	NA
+PJ024974	CEYYY 	C35H41N5O11S	739.2523	NA	PeJP	NA	NA
+PJ024975	PCQMMM 	C28H49N7O8S4	739.2526	NA	PeJP	NA	NA
+PJ024976	GSPCCHH 	C28H41N11O9S2	739.2531	NA	PeJP	NA	NA
+PJ024977	CCNNMR 	C25H45N11O9S3	739.2564	NA	PeJP	NA	NA
+PJ024978	GSSSCNW 	C29H41N9O12S	739.2596	NA	PeJP	NA	NA
+PJ024979	CCCKHF 	C30H45N9O7S3	739.2604	NA	PeJP	NA	NA
+MJ092604	Lissoclinamide 4; 28,29-Didehydro 	C38H41N7O5S2	739.261058	NA	MeJP	NA	NA
+PJ024980	GSSSSSND 	C25H41N9O17	739.2621	NA	PeJP	NA	NA
+PJ024981	SCDEMR 	C26H45N9O12S2	739.2629	NA	PeJP	NA	NA
+PJ024982	GGGGGTTCM 	C26H45N9O12S2	739.263	NA	PeJP	NA	NA
+PJ024983	GPCDYW 	C34H41N7O10S	739.2636	NA	PeJP	NA	NA
+PJ024984	PCCMMR 	C27H49N9O7S4	739.2638	NA	PeJP	NA	NA
+PJ024985	GNEEEY 	C30H41N7O15	739.2661	NA	PeJP	NA	NA
+PJ024986	GSEMMW 	C31H45N7O10S2	739.267	NA	PeJP	NA	NA
+PJ024987	GSSTEEM 	C27H45N7O15S	739.2695	NA	PeJP	NA	NA
+PJ024988	AQEMMM 	C28H49N7O10S3	739.2703	NA	PeJP	NA	NA
+PJ024989	SNDMHH 	C28H41N11O11S	739.2708	NA	PeJP	NA	NA
+PJ024990	GSSCCQR 	C25H45N11O11S2	739.2742	NA	PeJP	NA	NA
+PJ024991	GCNNFW 	C33H41N9O9S	739.2748	NA	PeJP	NA	NA
+PJ024992	GDDDRY 	C29H41N9O14	739.2773	NA	PeJP	NA	NA
+PJ024993	SCCNKW 	C30H45N9O9S2	739.2782	NA	PeJP	NA	NA
+PJ024994	SSSSNQM 	C26H45N9O14S	739.2807	NA	PeJP	NA	NA
+PJ024995	NEEYW 	C34H41N7O12	739.2813	NA	PeJP	NA	NA
+PJ024996	GGEEYW 	C34H41N7O12	739.2814	NA	PeJP	NA	NA
+PJ024997	GDMMMR 	C27H49N9O9S3	739.2816	NA	PeJP	NA	NA
+PJ024998	SMMWW 	C35H45N7O7S2	739.2822	NA	PeJP	NA	NA
+PJ024999	SSTEMW 	C31H45N7O12S	739.2847	NA	PeJP	NA	NA
+PJ025000	AAMMMW 	C32H49N7O7S3	739.2856	NA	PeJP	NA	NA
+PJ025001	GTCHHW 	C32H41N11O8S	739.2861	NA	PeJP	NA	NA
+PJ025002	SSSTTEE 	C27H45N7O17	739.2872	NA	PeJP	NA	NA
+PJ025003	SDKEMM 	C28H49N7O12S2	739.2881	NA	PeJP	NA	NA
+PJ025004	GSSSEHH 	C28H41N11O13	739.2886	NA	PeJP	NA	NA
+PJ025005	TMYYY 	C36H45N5O10S	739.2887	NA	PeJP	NA	NA
+PJ025006	PCKMMM 	C29H53N7O7S4	739.289	NA	PeJP	NA	NA
+PJ025007	GQMMHH 	C29H45N11O8S2	739.2894	NA	PeJP	NA	NA
+PJ025008	SSSSCNR 	C25H45N11O13S	739.2919	NA	PeJP	NA	NA
+PJ025009	GSNNYW 	C33H41N9O11	739.2926	NA	PeJP	NA	NA
+PJ025010	CCCQKR 	C26H49N11O8S3	739.2928	NA	PeJP	NA	NA
+PJ025011	SPCDRY 	C30H45N9O11S	739.2959	NA	PeJP	NA	NA
+PJ025012	GGGQQMY 	C30H45N9O11S	739.296	NA	PeJP	NA	NA
+PJ025013	GEYWW 	C38H41N7O9	739.2966	NA	PeJP	NA	NA
+PJ025014	GSSSSSTQ 	C26H45N9O16	739.2984	NA	PeJP	NA	NA
+PJ025015	GGGSSSSTT 	C26H45N9O16	739.2985	NA	PeJP	NA	NA
+PJ025016	SSEMMR 	C27H49N9O11S2	739.2993	NA	PeJP	NA	NA
+PJ025017	NNNNQH 	C27H41N13O12	739.2998	NA	PeJP	NA	NA
+PJ025018	GSPMYW 	C35H45N7O9S	739.3	NA	PeJP	NA	NA
+PJ025019	GCMHHR 	C28H45N13O7S2	739.3007	NA	PeJP	NA	NA
+PJ025020	GDKEEY 	C31H45N7O14	739.3025	NA	PeJP	NA	NA
+PJ025021	ATTMMW 	C32H49N7O9S2	739.3033	NA	PeJP	NA	NA
+PJ025022	GAAPMMY 	C32H49N7O9S2	739.3034	NA	PeJP	NA	NA
+PJ025023	SSSHHW 	C32H41N11O10	739.3038	NA	PeJP	NA	NA
+PJ025024	SSSSLEM 	C28H49N7O14S	739.3058	NA	PeJP	NA	NA
+PJ025025	AKEMMM 	C29H53N7O9S3	739.3067	NA	PeJP	NA	NA
+PJ025026	GCNQRY 	C29H45N11O10S	739.3072	NA	PeJP	NA	NA
+PJ025027	PDHWW 	C37H41N9O8	739.3078	NA	PeJP	NA	NA
+PJ025028	GSSCCKR 	C26H49N11O10S2	739.3106	NA	PeJP	NA	NA
+PJ025029	CEFRW 	C34H45N9O8S	739.3112	NA	PeJP	NA	NA
+PJ025030	YWWW 	C42H41N7O6	739.3119	NA	PeJP	NA	NA
+PJ025031	GSEERY 	C30H45N9O13	739.3137	NA	PeJP	NA	NA
+PJ025032	APCMRY 	C31H49N9O8S2	739.3146	NA	PeJP	NA	NA
+PJ025033	AMFWW 	C39H45N7O6S	739.3152	NA	PeJP	NA	NA
+PJ025034	SSSSNKM 	C27H49N9O13S	739.3171	NA	PeJP	NA	NA
+PJ025035	DKEYW 	C35H45N7O11	739.3177	NA	PeJP	NA	NA
+PJ025036	ATMMMR 	C28H53N9O8S3	739.3179	NA	PeJP	NA	NA
+PJ025037	SCLMMR 	C28H53N9O8S3	739.318	NA	PeJP	NA	NA
+PJ025038	STCHHR 	C28H45N13O9S	739.3184	NA	PeJP	NA	NA
+PJ025039	NHHFW 	C36H41N11O7	739.3191	NA	PeJP	NA	NA
+PJ025040	TTTTMW 	C32H49N7O11S	739.3211	NA	PeJP	NA	NA
+PJ025041	TFFYY 	C40H45N5O9	739.3217	NA	PeJP	NA	NA
+PJ025042	STTTTTE 	C28H49N7O16	739.3236	NA	PeJP	NA	NA
+PJ025043	TTKEMM 	C29H53N7O11S2	739.3245	NA	PeJP	NA	NA
+PJ025044	SSNNRY 	C29H45N11O12	739.3249	NA	PeJP	NA	NA
+PJ025045	GGGGSSRY 	C29H45N11O12	739.325	NA	PeJP	NA	NA
+PJ025046	PPCMHR 	C30H49N11O7S2	739.3258	NA	PeJP	NA	NA
+PJ025047	SERYW 	C34H45N9O10	739.329	NA	PeJP	NA	NA
+PJ025048	CCCKKR 	C27H53N11O7S3	739.3292	NA	PeJP	NA	NA
+PJ025049	AAEMRY 	C31H49N9O10S	739.3323	NA	PeJP	NA	NA
+PJ025050	GGGGAKMY 	C31H49N9O10S	739.3324	NA	PeJP	NA	NA
+PJ025051	SVYWW 	C39H45N7O8	739.333	NA	PeJP	NA	NA
+PJ025052	GSSSSSTK 	C27H49N9O15	739.3348	NA	PeJP	NA	NA
+PJ025053	TTTMMR 	C28H53N9O10S2	739.3357	NA	PeJP	NA	NA
+PJ025054	GNQEHR 	C28H45N13O11	739.3362	NA	PeJP	NA	NA
+PJ025055	LQMYW 	C36H49N7O8S	739.3363	NA	PeJP	NA	NA
+PJ025056	GALMYW 	C36H49N7O8S	739.3364	NA	PeJP	NA	NA
+PJ025057	VTTQEY 	C32H49N7O13	739.3388	NA	PeJP	NA	NA
+PJ025058	ATKEEY 	C32H49N7O13	739.3389	NA	PeJP	NA	NA
+PJ025059	APKMMY 	C33H53N7O8S2	739.3397	NA	PeJP	NA	NA
+PJ025060	AAQQHW 	C33H45N11O9	739.3402	NA	PeJP	NA	NA
+PJ025061	SSTTTLM 	C29H53N7O13S	739.3422	NA	PeJP	NA	NA
+PJ025062	SLKMMM 	C30H57N7O8S3	739.3431	NA	PeJP	NA	NA
+PJ025063	DMRRY 	C30H49N11O9S	739.3436	NA	PeJP	NA	NA
+PJ025064	GPPHFW 	C38H45N9O7	739.3442	NA	PeJP	NA	NA
+PJ025065	CLRYW 	C35H49N9O7S	739.3476	NA	PeJP	NA	NA
+PJ025066	ATTERY 	C31H49N9O12	739.3501	NA	PeJP	NA	NA
+PJ025067	GVMMFR 	C32H53N9O7S2	739.351	NA	PeJP	NA	NA
+PJ025068	NQHRW 	C32H45N13O8	739.3514	NA	PeJP	NA	NA
+PJ025069	GGGAHRW 	C32H45N13O8	739.3515	NA	PeJP	NA	NA
+PJ025070	SSSTCKK 	C28H53N9O12S	739.3535	NA	PeJP	NA	NA
+MJ092605	Glabrin D 	C36H49N7O10	739.35409	NA	MeJP	NA	NA
+PJ025071	GTTLYW 	C36H49N7O10	739.3541	NA	PeJP	NA	NA
+PJ025072	CCKKKM 	C29H57N9O7S3	739.3543	NA	PeJP	NA	NA
+MJ092606	Kesarirhodin A; 3''-Deoxy 	C40H53NO12	739.356776	NA	MeJP	NA	NA
+PJ025073	GLKEMY 	C33H53N7O10S	739.3575	NA	PeJP	NA	NA
+PJ025074	GLEEHR 	C30H49N11O11	739.3613	NA	PeJP	NA	NA
+PJ025075	GGAAPPDR 	C30H49N11O11	739.3614	NA	PeJP	NA	NA
+PJ025076	MMFRR 	C31H53N11O6S2	739.3622	NA	PeJP	NA	NA
+PJ025077	GPHHHR 	C31H45N15O7	739.3627	NA	PeJP	NA	NA
+PJ025078	SPTLHW 	C35H49N9O9	739.3653	NA	PeJP	NA	NA
+MJ092607	Annomuricatin B 	C35H49N9O9	739.365324	NA	MeJP	NA	NA
+PJ025079	GVLEHW 	C35H49N9O9	739.3654	NA	PeJP	NA	NA
+PJ025080	GTLMRY 	C32H53N9O9S	739.3687	NA	PeJP	NA	NA
+PJ025081	PKFYW 	C40H49N7O7	739.3694	NA	PeJP	NA	NA
+PJ025082	GNKEHR 	C29H49N13O10	739.3726	NA	PeJP	NA	NA
+PJ025083	LKMYW 	C37H53N7O7S	739.3727	NA	PeJP	NA	NA
+PJ025084	PPPLMW 	C37H53N7O7S	739.3728	NA	PeJP	NA	NA
+PJ025085	STLKEY 	C33H53N7O12	739.3752	NA	PeJP	NA	NA
+PJ025086	GPPVLEE 	C33H53N7O12	739.3753	NA	PeJP	NA	NA
+PJ025087	ALKMMF 	C34H57N7O7S2	739.3761	NA	PeJP	NA	NA
+PJ025088	LEHRW 	C34H49N11O8	739.3766	NA	PeJP	NA	NA
+PJ025089	SPLMHR 	C31H53N11O8S	739.38	NA	PeJP	NA	NA
+PJ025090	VLHWW 	C39H49N9O6	739.3806	NA	PeJP	NA	NA
+PJ025091	GSQHRR 	C28H49N15O9	739.3838	NA	PeJP	NA	NA
+PJ025092	STTLRY 	C32H53N9O11	739.3865	NA	PeJP	NA	NA
+PJ025093	NKHRW 	C33H49N13O7	739.3878	NA	PeJP	NA	NA
+PJ025094	PPVLEW 	C37H53N7O9	739.3905	NA	PeJP	NA	NA
+PJ025095	SVLKMY 	C34H57N7O9S	739.3939	NA	PeJP	NA	NA
+PJ025096	SVLEHR 	C31H53N11O10	739.3977	NA	PeJP	NA	NA
+PJ025097	ATLLHW 	C36H53N9O8	739.4017	NA	PeJP	NA	NA
+PJ025098	GGPPVKW 	C36H53N9O8	739.4018	NA	PeJP	NA	NA
+MJ092608	Monamycins; Monamycin I 	C35H58ClN7O8	739.403539	NA	MeJP	NA	NA
+PJ025099	ACKKKY 	C33H57N9O8S	739.4051	NA	PeJP	NA	NA
+PJ025100	LKFFW 	C41H53N7O6	739.4058	NA	PeJP	NA	NA
+PJ025101	SPPQRR 	C30H53N13O9	739.4089	NA	PeJP	NA	NA
+PJ025102	PPTNRR 	C30H53N13O9	739.409	NA	PeJP	NA	NA
+PJ025103	APPTLLE 	C34H57N7O11	739.4116	NA	PeJP	NA	NA
+PJ025104	GPPKRW 	C35H53N11O7	739.413	NA	PeJP	NA	NA
+PJ025105	ALLMHR 	C32H57N11O7S	739.4164	NA	PeJP	NA	NA
+3921	aurein 1,2	GLFDIIKKIAESF~	739.4174	MH2+	Inhouse_peptide	NA	peptide
+PJ025106	GSKHRR 	C29H53N15O8	739.4202	NA	PeJP	NA	NA
+PJ025107	SSKKKY 	C33H57N9O10	739.4229	NA	PeJP	NA	NA
+PJ025108	GLLKFY 	C38H57N7O8	739.4269	NA	PeJP	NA	NA
+PJ025109	GPPLLLM 	C35H61N7O8S	739.4303	NA	PeJP	NA	NA
+PJ025110	TTLLHR 	C32H57N11O9	739.4341	NA	PeJP	NA	NA
+PJ025111	PVLKHF 	C37H57N9O7	739.4381	NA	PeJP	NA	NA
+PJ025112	VLLKMH 	C34H61N9O7S	739.4415	NA	PeJP	NA	NA
+PJ025113	SPPKRR 	C31H57N13O8	739.4453	NA	PeJP	NA	NA
+PJ025114	GAAPLRR 	C31H57N13O8	739.4454	NA	PeJP	NA	NA
+PJ025115	GPVLLLE 	C35H61N7O10	739.448	NA	PeJP	NA	NA
+MJ092609	Spirosolan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H65NO12	739.450676	NA	MeJP	NA	NA
+PJ025116	GPVRRR 	C30H57N15O7	739.4566	NA	PeJP	NA	NA
+PJ025117	PLLLER 	C34H61N9O9	739.4593	NA	PeJP	NA	NA
+PJ025118	PVLLLW 	C39H61N7O7	739.4633	NA	PeJP	NA	NA
+PJ025119	PRRRR 	C29H57N17O6	739.4678	NA	PeJP	NA	NA
+PJ025120	PVLQKR 	C33H61N11O8	739.4705	NA	PeJP	NA	NA
+PJ025121	APLKRR 	C32H61N13O7	739.4817	NA	PeJP	NA	NA
+PJ025122	APTLLLL 	C36H65N7O9	739.4844	NA	PeJP	NA	NA
+PJ025123	AAPLLKK 	C35H65N9O8	739.4956	NA	PeJP	NA	NA
+PJ025124	AAPILKK 	C35H65N9O8	739.4957	NA	PeJP	NA	NA
+PJ025125	PVLKKR 	C34H65N11O7	739.5069	NA	PeJP	NA	NA
+HMDB07943	PC(15:0/18:4(6Z,9Z,12Z,15Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB08231	PC(18:4(6Z,9Z,12Z,15Z)/15:0)	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB08844	PE(14:0/22:4(7Z,10Z,13Z,16Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB08937	PE(16:0/20:4(5Z,8Z,11Z,14Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB08938	PE(16:0/20:4(8Z,11Z,14Z,17Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB08968	PE(16:1(9Z)/20:3(5Z,8Z,11Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB08997	PE(18:0/18:4(6Z,9Z,12Z,15Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09028	PE(18:1(11Z)/18:3(6Z,9Z,12Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09029	PE(18:1(11Z)/18:3(9Z,12Z,15Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09061	PE(18:1(9Z)/18:3(6Z,9Z,12Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09062	PE(18:1(9Z)/18:3(9Z,12Z,15Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09093	PE(18:2(9Z,12Z)/18:2(9Z,12Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09124	PE(18:3(6Z,9Z,12Z)/18:1(11Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09125	PE(18:3(6Z,9Z,12Z)/18:1(9Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09157	PE(18:3(9Z,12Z,15Z)/18:1(11Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09158	PE(18:3(9Z,12Z,15Z)/18:1(9Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09189	PE(18:4(6Z,9Z,12Z,15Z)/18:0)	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09320	PE(20:3(5Z,8Z,11Z)/16:1(9Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09353	PE(20:3(8Z,11Z,14Z)/16:1(9Z))	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09385	PE(20:4(5Z,8Z,11Z,14Z)/16:0)	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09418	PE(20:4(8Z,11Z,14Z,17Z)/16:0)	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB09580	PE(22:4(7Z,10Z,13Z,16Z)/14:0)	C41H74NO8P	739.515198	NA	HMDB2010	NA	NA
+HMDB05323	GPEtn(16:0/20:4(5Z,8Z,11Z,14Z))	C41H74NO8P	739.5152	http://www.hmdb.ca/metabolites/HMDB05323	HMDB	NA	NA
+HMDB05350	GPEtn(18:2(9Z,12Z)/18:2(9Z,12Z))[U]	C41H74NO8P	739.5152	http://www.hmdb.ca/metabolites/HMDB05350	HMDB	NA	NA
+HMDB05323	GPEtn(16:0/20:4(5Z,8Z,11Z,14Z))	C41H74NO8P	739.5152	HMDB05323	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05350	GPEtn(18:2(9Z,12Z)/18:2(9Z,12Z))[U]	C41H74NO8P	739.5152	HMDB05350	PFEM_hmdb_metabocards_official	NA	NA
+EUR956	PC 34:4 [M-H-CH3]-	C42H76NO8P	739.515207	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR956	PC 34:4 [M-H-CH3]-	C42H76NO8P	739.515207	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR956	PC 34:4 [M-H-CH3]-	C42H76NO8P	739.515207	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR956	PC 34:4 [M-H-CH3]-	C42H76NO8P	739.515207	masses lipides attendues	Inhousejuil11	NA	NA
+PJ025126	GVLLLLL 	C37H69N7O8	739.5208	NA	PeJP	NA	NA
+PJ025127	LLLLLR 	C36H69N9O7	739.532	NA	PeJP	NA	NA
+HMDB08192	PC(18:3(6Z,9Z,12Z)/P-16:0)	C42H78NO7P	739.551575	NA	HMDB2010	NA	NA
+HMDB08225	PC(18:3(9Z,12Z,15Z)/P-16:0)	C42H78NO7P	739.551575	NA	HMDB2010	NA	NA
+HMDB11212	PC(P-16:0/18:3(6Z,9Z,12Z))	C42H78NO7P	739.551575	NA	HMDB2010	NA	NA
+HMDB11213	PC(P-16:0/18:3(9Z,12Z,15Z))	C42H78NO7P	739.551575	NA	HMDB2010	NA	NA
+MJ092610	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyheptadecanoyl), 1-O-?-D-glucopyranoside 	C42H77NO9	739.559833	NA	MeJP	NA	NA
+HMDB06229	5-Diphosphoinositol pentakisphosphate	C6H19O27P7	739.827698	NA	HMDB2010	NA	NA
+HMDB06229	5-Diphosphoinositol pentakisphosphate	C6H19O27P7	739.8277	http://www.hmdb.ca/metabolites/HMDB06229	HMDB	NA	NA
+C11174	1-Diphosinositol pentakisphosphate	C6H19O27P7	739.8277	NA	KEGG	NA	NA
+C11526	5-PP-InsP5	C6H19O27P7	739.8277	NA	KEGG	NA	NA
+HMDB06229	5-Diphosphoinositol pentakisphosphate	C6H19O27P7	739.8277	HMDB06229	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04085	5-diphospho-1D-myo-inositol (1,2,3,4,6)pentakisphosphate [5-diphospho-1D-myo-inositol pentakisphosphate;]	C6H19O27P7	739.827701	NA	metacyc	NA	NA
+MetaCyc04086	diphosphoinositol pentakisphosphate [5-PP-InsP5;]	C6H19O27P7	739.827701	NA	metacyc	NA	NA
+5455	aurein 1,2	GLFDIIKKIAESF	739.90945	MH2+	Inhouse_peptide	NA	peptide
+MJ092611	Leptosin C 	C32H32N6O7S4	740.12153	NA	MeJP	NA	NA
+MJ092612	Leptosin I 	C32H32N6O7S4	740.12153	NA	MeJP	NA	NA
+C10233	Kandelin A-1	C39H32O15	740.1741	NA	KEGG	NA	NA
+MJ092613	Astragalin; 2'',4''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092614	Astragalin; 2'',6''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092615	Astragalin; 2'',6''-Bis-O-E-(4-hydroxycinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092616	Astragalin; 2''-O-Z-(4-Hydroxycinnamoyl), 6''-O-E-(4-hydroxycinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092617	Astragalin; 3'',6''-Bis-O-(4-hydroxy-Z-cinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092618	Astragalin; 3'',6''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092619	Cinchonain IIa 	C39H32O15	740.17412	NA	MeJP	NA	NA
+MJ092620	Trifolin; 3'',6''-Bis-O-(4-hydroxycinnamoyl) 	C39H32O15	740.17412	NA	MeJP	NA	NA
+FL5FAAGL0072	Kaempferol 3-(2'',6''-di-(E)-p-coumarylglucoside)	C39H32O15	740.17412	121651-61-4	knapsack	NA	NA
+FL5FAAGL0073	Kaempferol 3-(2''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside)	C39H32O15	740.17412	137120-98-0	knapsack	NA	NA
+FL5FAAGL0074	Kaempferol 3-(3'',6''-di-p-coumarylglucoside)	C39H32O15	740.17412	162120-53-8	knapsack	NA	NA
+FL5FAAGS0109	Stenopalustroside A;Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside);3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C39H32O15	740.17412	218614-71-2	knapsack	NA	NA
+PJ025128	GCCNDDD 	C24H36N8O15S2	740.1742	NA	PeJP	NA	NA
+PJ025129	CCCCFY 	C30H40N6O8S4	740.1791	NA	PeJP	NA	NA
+MJ092621	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 5-O-?-D-glucopyranoside 	C32H37O20(+)	740.179993	NA	MeJP	NA	NA
+MJ092622	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C32H37O20(+)	740.179993	NA	MeJP	NA	NA
+MJ092623	Mohsenone 	C43H32O12	740.189376	NA	MeJP	NA	NA
+PJ025130	SPCCCND 	C25H40N8O12S3	740.1928	NA	PeJP	NA	NA
+FL3FAACS0063	Isoschaftoside 2'''-ferulate	C36H36O17	740.19524	80754-94-5	knapsack	NA	NA
+FL3FAACS0081	Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside	C36H36O17	740.19524	220948-76-5	knapsack	NA	NA
+FL3FAADS0018	Vitexin 7-O-glucoside 2''-p-coumarate	C36H36O17	740.19524	93446-17-4	knapsack	NA	NA
+FL3FAADS0044	Isovitexin 7-O-(6'''-O-E-p-coumaroyl)glucoside	C36H36O17	740.19524	496788-49-9	knapsack	NA	NA
+FL3FAAGN0003	Apigenin 7-rutinoside-4'-trans-caffeate	C36H36O17	740.19524	14637-28-6	knapsack	NA	NA
+FL5FAAGA0034	Kaempferol 3-(4''-(Z)-p-coumarylrobinobioside)	C36H36O17	740.19524	115794-36-0	knapsack	NA	NA
+FL5FAAGA0035	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)	C36H36O17	740.19524	115713-36-5	knapsack	NA	NA
+FL5FAAGL0082	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)	C36H36O17	740.19524	-	knapsack	NA	NA
+FL5FAAGS0061	Kaempferol 3-[6'''-p-coumarylglucosyl-(1->2)-rhamnoside]	C36H36O17	740.19524	107190-70-5<BR>111957-48-3	knapsack	NA	NA
+FL5FAAGS0115	Kaempferol 3-(2G-(E)-p-coumaroylrutinoside);3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C36H36O17	740.19524	194292-74-5	knapsack	NA	NA
+FL5FCAGL0008	Rhamnocitrin 3-(5'''-p-coumarylapiosyl)-(1->2)-glucoside	C36H36O17	740.19524	147899-34-1	knapsack	NA	NA
+MJ092624	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-O-?-D-Glucopyranoside 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092625	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3-O-?-D-Glucopyranoside 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092626	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 7-O-?-D-Glucopyranoside 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092627	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092628	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092629	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-galactopyranoside] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092630	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-galactopyranoside] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092631	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?4)]-?-D-glucopyranoside] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092632	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092633	6-Glucopyranosylprocyanidin B 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092634	8-Glucopyranosylprocyanidin B 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092635	Afzelin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092636	Cosmosiin; 6''-O-?-L-Rhamnopyranosyl, 4'-O-(3,4-dihydroxycinnamoyl) 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092637	Isoschaftoside; 2'''-O-(4-Hydroxy-3-methoxycinnamoyl) 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092638	Vitexin; 2''-O-(4-Hydroxycinnamoyl), 7-O-?-D-glucopyranoside 	C36H36O17	740.195249	NA	MeJP	NA	NA
+MJ092639	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C36H37O17(+)	740.195249	NA	MeJP	NA	NA
+PJ025131	SCCCYY 	C30H40N6O10S3	740.1968	NA	PeJP	NA	NA
+PJ025132	DDDDMM 	C26H40N6O15S2	740.1993	NA	PeJP	NA	NA
+PJ025133	GCCCNNQ 	C24H40N10O11S3	740.204	NA	PeJP	NA	NA
+PJ025134	GGGCCCNQ 	C24H40N10O11S3	740.2041	NA	PeJP	NA	NA
+PJ025135	CCCEHF 	C29H40N8O9S3	740.2081	NA	PeJP	NA	NA
+PJ025136	GSCNDDM 	C25H40N8O14S2	740.2106	NA	PeJP	NA	NA
+PJ025137	GPCCCQM 	C26H44N8O9S4	740.2114	NA	PeJP	NA	NA
+PJ025138	GGAPCCCM 	C26H44N8O9S4	740.2115	NA	PeJP	NA	NA
+PJ025139	DDDDDF 	C29H36N6O17	740.2137	NA	PeJP	NA	NA
+FL3FAADS0014	Vitexin 4'-O-glucoside-2''-O-rhamnoside	C33H40O19	740.21637	87440-81-1	knapsack	NA	NA
+FL3FAADS0015	Isovitexin 7-O-glucoside-2''-O-rhamnoside	C33H40O19	740.21637	84924-39-0	knapsack	NA	NA
+FL3FAADS0028	Vitexin 7-O-rutinoside	C33H40O19	740.21637	61527-72-8	knapsack	NA	NA
+FL3FAADS0029	Isovitexin 7-O-galactoside-2''-O-rhamnoside	C33H40O19	740.21637	72050-96-5	knapsack	NA	NA
+FL3FAAGS0030	Apigenin 7-rutinoside-4'-glucoside	C33H40O19	740.21637	-	knapsack	NA	NA
+FL3FAAGS0031	Apigenin 7-neohesperidoside-4'-glucoside	C33H40O19	740.21637	31498-83-6	knapsack	NA	NA
+FL3FAAGS0060	Apigenin 7-O-(2G-rhamnosyl)gentiobioside	C33H40O19	740.21637	-	knapsack	NA	NA
+FL3FCACS0027	6,8-Di-C-glucosylgenkwanin 2'''-O-xyloside	C33H40O19	740.21637	128197-78-4	knapsack	NA	NA
+FL5FAAGA0014	Kaempferol 3-rhamninoside	C33H40O19	740.21637	83170-31-4	knapsack	NA	NA
+FL5FAAGA0015	Kaempferol 3-isorhamninoside	C33H40O19	740.21637	123618-28-0	knapsack	NA	NA
+FL5FAAGA0018	Mauritianin	C33H40O19	740.21637	109008-28-8	knapsack	NA	NA
+FL5FAAGA0022	Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-rhamnoside	C33H40O19	740.21637	124027-49-2	knapsack	NA	NA
+FL5FAAGA0024	Robinin	C33H40O19	740.21637	301-19-9<BR>81992-85-0	knapsack	NA	NA
+FL5FAAGL0024	Kaempferol 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside	C33H40O19	740.21637	32602-83-8	knapsack	NA	NA
+FL5FAAGL0025	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside	C33H40O19	740.21637	64717-46-0	knapsack	NA	NA
+FL5FAAGL0032	Clitorin	C33H40O19	740.21637	55804-74-5	knapsack	NA	NA
+FL5FAAGL0043	Kaempferol 3-neohesperidoside-7-rhamnoside;Kaempferol 3-O-alpha-rhamnopyranosyl-(1->2)-beta-glucopyranoside-7-O-alpha-rhamnopyranoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O19	740.21637	162062-89-7	knapsack	NA	NA
+FL5FAAGL0046	Kaempferol 3-rutinoside-7-rhamnoside	C33H40O19	740.21637	57526-56-4	knapsack	NA	NA
+FL5FAAGL0053	Kaempferol 3-glucoside-7,4'-dirhamnoside	C33H40O19	740.21637	87562-19-4	knapsack	NA	NA
+FL5FAAGS0041	Kaempferol 3-glucosyl-(1->3)-rhamnoside-7-rhamnoside	C33H40O19	740.21637	89964-54-5	knapsack	NA	NA
+FL5FAAGS0043	Kaempferol 3-rhamnoside-7-glucosyl-(1->2)-rhamnoside;Grosvenorin;Grosvenorine;7-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O19	740.21637	156980-60-8	knapsack	NA	NA
+FL5FAAGS0044	Kaempferol 4'-rhamninoside	C33H40O19	740.21637	154623-31-1	knapsack	NA	NA
+FL5FAAGS0079	Kaempferol 3-rhamnosyl-(1->3)-rhamnosyl-(1->6)-glucoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O19	740.21637	312731-16-1	knapsack	NA	NA
+FL5FCAGS0008	Kaempferol 7-methyl ether 3-xylosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C33H40O19	740.21637	319481-53-3	knapsack	NA	NA
+FL5FCAGS0009	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];3-[(O-D-apio-beta-D-furanosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C33H40O19	740.21637	221685-99-0	knapsack	NA	NA
+MJ092640	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-L-arabinopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?6)]-?-D-galactopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092641	1,8-Dihydroxy-3-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092642	3,4',5,7-Tetrahydroxyflavone; 3-O-[Rhamnosyl-(1??)-galactoside], 7-O-?-L-rhamnopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092643	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnofuranosyl-(1?6)-?-D-galactofuranoside], 7-O-?-L-rhamnofuranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092644	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092645	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-[?-D-glucopyranosyl-(??)-?-L-rhamnopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092646	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-[?-L-rhamnopyranosyl-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092647	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?6)[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092648	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092649	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092650	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092651	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092652	Afzelin; 7-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092653	Astragalin; 4',7-Di-O-?-L-rhamnopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092654	Astragalin; 6''-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092655	Astragalin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092656	Cosmosiin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092657	Cosmosiin; 6''-O-?-L-Rhamnopyranosyl, 4'-O-?-D-glucofuranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092658	Isovitexin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-D-galactopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092659	Isovitexin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-D-glucopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092660	Isovitexin; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092661	Isovitexin; O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092662	Trifolin; 2'',6''-Di-O-?-L-rhamnopyranosyl 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092663	Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092664	Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092665	Vicenin 2; 2'''-O-Xylosyl, 7-Me ether 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092666	Vitexin; 2''-O-?-L-Rhamnopyranosyl, 4'-O-?-D-glucopyranoside 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092667	Vitexin; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092668	?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092669	?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092670	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092671	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092672	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092673	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-D-glucopyranoside] 	C33H40O19	740.216379	NA	MeJP	NA	NA
+MJ092674	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H41O19(+)	740.216379	NA	MeJP	NA	NA
+MJ092675	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C33H41O19(+)	740.216379	NA	MeJP	NA	NA
+C10178	Robinin	C33H40O19	740.2164	NA	KEGG	NA	NA
+PJ025140	CDDDHH 	C27H36N10O13S	740.2184	NA	PeJP	NA	NA
+PJ025141	SSCCNNN 	C24H40N10O13S2	740.2218	NA	PeJP	NA	NA
+PJ025142	GPCCCCR 	C25H44N10O8S4	740.2227	NA	PeJP	NA	NA
+PJ025143	SCCNEW 	C29H40N8O11S2	740.2258	NA	PeJP	NA	NA
+MJ092676	Lipopurealins; Lipopurealin B 	C32H50Br2N6O4	740.226029	NA	MeJP	NA	NA
+PJ025144	SSSCNDE 	C25H40N8O16S	740.2283	NA	PeJP	NA	NA
+PJ025145	CNNEMM 	C26H44N8O11S3	740.2292	NA	PeJP	NA	NA
+MJ092677	Ferrichrome 	C27H42FeN9O12	740.230234	NA	MeJP	NA	NA
+PJ025146	PCDDEY 	C30H40N6O14S	740.2324	NA	PeJP	NA	NA
+PJ025147	SDEEMM 	C27H44N6O14S2	740.2357	NA	PeJP	NA	NA
+PJ025148	PCEMMM 	C28H48N6O9S4	740.2366	NA	PeJP	NA	NA
+PJ025149	CCNDMR 	C25H44N10O10S3	740.2404	NA	PeJP	NA	NA
+PJ025150	GGGGGCCCK 	C25H44N10O10S3	740.2405	NA	PeJP	NA	NA
+PJ025151	GSCCWW 	C33H40N8O8S2	740.2411	NA	PeJP	NA	NA
+PJ025152	GSSSCDW 	C29H40N8O13S	740.2436	NA	PeJP	NA	NA
+PJ025153	GCNMMW 	C30H44N8O8S3	740.2445	NA	PeJP	NA	NA
+PJ025154	GSSSSSDD 	C25H40N8O18	740.2461	NA	PeJP	NA	NA
+MJ092678	Phleichrome; 14,21-Diepimer, 14-(3-hydroxybutanoyl), 21-benzoyl 	C41H40O13	740.246891	NA	MeJP	NA	NA
+PJ025155	ASTCCQE 	C26H44N8O13S2	740.2469	NA	PeJP	NA	NA
+PJ025156	GSSNDMM 	C26H44N8O13S2	740.247	NA	PeJP	NA	NA
+PJ025157	GPCCCKM 	C27H48N8O8S4	740.2478	NA	PeJP	NA	NA
+PJ025158	CCNQHH 	C27H40N12O9S2	740.2483	NA	PeJP	NA	NA
+PJ025159	GDEEEY 	C30H40N6O16	740.2501	NA	PeJP	NA	NA
+PJ025160	PCDEMF 	C31H44N6O11S2	740.251	NA	PeJP	NA	NA
+MJ092679	Ilexrotunin 	C34H44O18	740.252764	NA	MeJP	NA	NA
+PJ025161	AEEMMM 	C28H48N6O11S3	740.2543	NA	PeJP	NA	NA
+PJ025162	CNNNNY 	C28H40N10O12S	740.2548	NA	PeJP	NA	NA
+PJ025163	ACCCRW 	C29H44N10O7S3	740.2557	NA	PeJP	NA	NA
+PJ025164	GSSCCER 	C25H44N10O12S2	740.2582	NA	PeJP	NA	NA
+PJ025165	GCNDFW 	C33H40N8O10S	740.2588	NA	PeJP	NA	NA
+PJ025166	SNNDEY 	C29H40N8O15	740.2613	NA	PeJP	NA	NA
+PJ025167	GGGGSDEY 	C29H40N8O15	740.2614	NA	PeJP	NA	NA
+MJ092680	Tocinoic acid 	C30H44N8O10S2	740.262181	NA	MeJP	NA	NA
+PJ025168	SSCQMW 	C30H44N8O10S2	740.2622	NA	PeJP	NA	NA
+PJ025169	SSSSNEM 	C26H44N8O15S	740.2647	NA	PeJP	NA	NA
+PJ025170	DEEYW 	C34H40N6O13	740.2654	NA	PeJP	NA	NA
+PJ025171	SNQMMM 	C27H48N8O10S3	740.2656	NA	PeJP	NA	NA
+PJ025172	GSSCNHH 	C27H40N12O11S	740.266	NA	PeJP	NA	NA
+PJ025173	GGGSSCHH 	C27H40N12O11S	740.2661	NA	PeJP	NA	NA
+MJ092681	Febrinin B; 2',3'-Epoxide 	C38H44O15	740.26802	NA	MeJP	NA	NA
+PJ025174	SPDEMY 	C31H44N6O13S	740.2687	NA	PeJP	NA	NA
+PJ025175	PPCMMY 	C32H48N6O8S3	740.2696	NA	PeJP	NA	NA
+PJ025176	TTEEMM 	C28H48N6O13S2	740.2721	NA	PeJP	NA	NA
+PJ025177	GSPNDDH 	C28H40N10O14	740.2726	NA	PeJP	NA	NA
+PJ025178	PTMMMM 	C29H52N6O8S4	740.273	NA	PeJP	NA	NA
+PJ025179	SSCCRW 	C29H44N10O9S2	740.2734	NA	PeJP	NA	NA
+PJ025180	GEMMHH 	C29H44N10O9S2	740.2735	NA	PeJP	NA	NA
+PJ025181	SSSSCDR 	C25H44N10O14S	740.2759	NA	PeJP	NA	NA
+PJ025182	GSNDYW 	C33H40N8O12	740.2766	NA	PeJP	NA	NA
+PJ025183	SCNMMR 	C26H48N10O9S3	740.2768	NA	PeJP	NA	NA
+PJ025184	GCMHFF 	C34H44N8O7S2	740.2775	NA	PeJP	NA	NA
+PJ025185	GSSSSMW 	C30H44N8O12S	740.28	NA	PeJP	NA	NA
+PJ025186	ACCKMW 	C31H48N8O7S3	740.2808	NA	PeJP	NA	NA
+PJ025187	GSSSSSTE 	C26H44N8O17	740.2825	NA	PeJP	NA	NA
+PJ025188	GSSTQMM 	C27H48N8O12S2	740.2833	NA	PeJP	NA	NA
+PJ025189	NNNNEH 	C27H40N12O13	740.2838	NA	PeJP	NA	NA
+PJ025190	EEMFW 	C35H44N6O10S	740.284	NA	PeJP	NA	NA
+PJ025191	CCNKHH 	C28H44N12O8S2	740.2847	NA	PeJP	NA	NA
+PJ025192	ATEEEY 	C31H44N6O15	740.2865	NA	PeJP	NA	NA
+PJ025193	APEMMY 	C32H48N6O10S2	740.2874	NA	PeJP	NA	NA
+PJ025194	GDEHHF 	C32H40N10O11	740.2878	NA	PeJP	NA	NA
+PJ025195	TCCCRR 	C25H48N12O8S3	740.2881	NA	PeJP	NA	NA
+PJ025196	MMHHW 	C33H44N10O6S2	740.2887	NA	PeJP	NA	NA
+MJ092682	2,4,8,9,12,14-Hexahydroxy-5-briaren-18,7-olid-16-oic acid; 4-(3-Acetoxybutanoyl), 2,9,12,14-tetra-Ac, Me ester 	C35H48O17	740.28915	NA	MeJP	NA	NA
+MJ092683	Nannochelin C 	C36H44N4O13	740.290487	NA	MeJP	NA	NA
+PJ025197	SLEMMM 	C29H52N6O10S3	740.2907	NA	PeJP	NA	NA
+PJ025198	GCNERY 	C29H44N10O11S	740.2912	NA	PeJP	NA	NA
+PJ025199	ACHHHH 	C30H40N14O7S	740.2926	NA	PeJP	NA	NA
+MJ092684	3,5,7,13,15,18-Hexahydroxy-6,12-cyclo-14-lathyrone; 3,18-Bis(3-pyridinecarbonyl), 5-benzoyl, 7-Ac 	C41H44N2O11	740.29451	NA	MeJP	NA	NA
+PJ025200	GSSTCMR 	C26H48N10O11S2	740.2946	NA	PeJP	NA	NA
+PJ025201	NQMYW 	C34H44N8O9S	740.2952	NA	PeJP	NA	NA
+PJ025202	SSSSSTW 	C30H44N8O14	740.2977	NA	PeJP	NA	NA
+HMDB01929	Levofloxacin	C36H42F2N6O9	740.29816	http://www.hmdb.ca/metabolites/HMDB01929	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01929	Levofloxacin	C36H42F2N6O9	740.29816	http://www.hmdb.ca/metabolites/HMDB01929	HMDB	NA	NA
+HMDB01929	Levofloxacin	C36H42F2N6O9	740.29816	http://www.hmdb.ca/metabolites/HMDB01929	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01929	Levofloxacin	C36H42F2N6O9	740.29816	HMDB01929	PFEM_hmdb_metabocards_official	NA	NA
+PJ025203	SSCKMW 	C31H48N8O9S2	740.2986	NA	PeJP	NA	NA
+PJ025204	GNNNHW 	C31H40N12O10	740.2991	NA	PeJP	NA	NA
+PJ025205	SSSSDKM 	C27H48N8O14S	740.3011	NA	PeJP	NA	NA
+PJ025206	SPPDYY 	C35H44N6O12	740.3017	NA	PeJP	NA	NA
+PJ025207	GPEEFY 	C35H44N6O12	740.3018	NA	PeJP	NA	NA
+PJ025208	SNKMMM 	C28H52N8O9S3	740.302	NA	PeJP	NA	NA
+PJ025209	PCNDHR 	C28H44N12O10S	740.3024	NA	PeJP	NA	NA
+PJ025210	PPCMFF 	C36H48N6O7S2	740.3026	NA	PeJP	NA	NA
+PJ025211	DHHFW 	C36H40N10O8	740.3031	NA	PeJP	NA	NA
+MJ092685	4,20-Epoxy-11-taxene-1,2,5,7,9,10,13-heptol, 5-Cinnamoyl, 2,7,9,10,13-penta-Ac 	C39H48O14	740.304406	NA	MeJP	NA	NA
+PJ025212	GLEEMY 	C32H48N6O12S	740.3051	NA	PeJP	NA	NA
+PJ025213	PCLMMF 	C33H52N6O7S3	740.306	NA	PeJP	NA	NA
+PJ025214	CNRYW 	C33H44N10O8S	740.3064	NA	PeJP	NA	NA
+PJ025215	GGCRYW 	C33H44N10O8S	740.3065	NA	PeJP	NA	NA
+PJ025216	SSNDRY 	C29H44N10O13	740.309	NA	PeJP	NA	NA
+PJ025217	VVMMMM 	C30H56N6O7S4	740.3094	NA	PeJP	NA	NA
+PJ025218	GCQMFR 	C30H48N10O8S2	740.3098	NA	PeJP	NA	NA
+PJ025219	SSHHHH 	C30H40N14O9	740.3103	NA	PeJP	NA	NA
+PJ025220	SSSSSMR 	C26H48N10O13S	740.3123	NA	PeJP	NA	NA
+PJ025221	GSTQYW 	C34H44N8O11	740.313	NA	PeJP	NA	NA
+PJ025222	TCCKMR 	C27H52N10O8S3	740.3132	NA	PeJP	NA	NA
+PJ025223	ANDKMY 	C31H48N8O11S	740.3163	NA	PeJP	NA	NA
+PJ025224	GNKEMY 	C31H48N8O11S	740.3164	NA	PeJP	NA	NA
+PJ025225	PEFYW 	C39H44N6O9	740.317	NA	PeJP	NA	NA
+PJ025226	SSSSSSSL 	C27H48N8O16	740.3188	NA	PeJP	NA	NA
+PJ025227	GSSTKMM 	C28H52N8O11S2	740.3197	NA	PeJP	NA	NA
+PJ025228	GNEEHR 	C28H44N12O12	740.3202	NA	PeJP	NA	NA
+PJ025229	LEMYW 	C36H48N6O9S	740.3204	NA	PeJP	NA	NA
+PJ025230	GCCFRR 	C29H48N12O7S2	740.3211	NA	PeJP	NA	NA
+PJ025231	STLEEY 	C32H48N6O14	740.3229	NA	PeJP	NA	NA
+PJ025232	SPLMMY 	C33H52N6O9S2	740.3237	NA	PeJP	NA	NA
+PJ025233	ALEMMF 	C33H52N6O9S2	740.3238	NA	PeJP	NA	NA
+PJ025234	AAQEHW 	C33H44N10O10	740.3242	NA	PeJP	NA	NA
+MJ092686	1,4,6,15-Tetrahydroxy-11(13)-eudesmen-12-oic acid, 1-[2-(2-Hydroxy-3-methylbutanoyloxy)-3-(4-hydroxyphenyl)propanoyl], 15-O-?-D-glucopyranoside, Me ester 	C36H52O16	740.325535	NA	MeJP	NA	NA
+PJ025235	GSQMRY 	C30H48N10O10S	740.3276	NA	PeJP	NA	NA
+PJ025236	NQFFW 	C38H44N8O8	740.3282	NA	PeJP	NA	NA
+PJ025237	GGGAFFW 	C38H44N8O8	740.3283	NA	PeJP	NA	NA
+MJ092687	Przewalskine 	C42H48N2O10	740.330895	NA	MeJP	NA	NA
+MJ092688	Thalmelatidine 	C42H48N2O10	740.330895	NA	MeJP	NA	NA
+PJ025238	SNNNHR 	C27H44N14O11	740.3314	NA	PeJP	NA	NA
+PJ025239	GGGGGGSHR 	C27H44N14O11	740.3315	NA	PeJP	NA	NA
+PJ025240	NKMYW 	C35H48N8O8S	740.3316	NA	PeJP	NA	NA
+PJ025241	SSQKEY 	C31H48N8O13	740.3341	NA	PeJP	NA	NA
+PJ025242	PCCKKY 	C32H52N8O8S2	740.335	NA	PeJP	NA	NA
+PJ025243	EHHRY 	C32H44N12O9	740.3354	NA	PeJP	NA	NA
+PJ025244	NEHRW 	C32H44N12O9	740.3355	NA	PeJP	NA	NA
+PJ025245	SSSTTKM 	C28H52N8O13S	740.3375	NA	PeJP	NA	NA
+PJ025246	GPLEYY 	C36H48N6O11	740.3381	NA	PeJP	NA	NA
+PJ025247	TCKKMM 	C29H56N8O8S3	740.3384	NA	PeJP	NA	NA
+PJ025248	GSCRRY 	C29H48N12O9S	740.3388	NA	PeJP	NA	NA
+PJ025249	VNHWW 	C37H44N10O7	740.3395	NA	PeJP	NA	NA
+PJ025250	SVLEMY 	C33H52N6O11S	740.3415	NA	PeJP	NA	NA
+PJ025251	APCKHW 	C34H48N10O7S	740.3429	NA	PeJP	NA	NA
+PJ025252	SSTQRY 	C30H48N10O12	740.3453	NA	PeJP	NA	NA
+PJ025253	PPNEER 	C30H48N10O12	740.3454	NA	PeJP	NA	NA
+PJ025254	GCKMFR 	C31H52N10O7S2	740.3462	NA	PeJP	NA	NA
+MJ092689	Deditonium(2+); Dibromide 	C38H66Br2N2O2	740.349104	NA	MeJP	NA	NA
+PJ025255	GSTKYW 	C35H48N8O10	740.3494	NA	PeJP	NA	NA
+PJ025256	GHRWW 	C36H44N12O6	740.3507	NA	PeJP	NA	NA
+PJ025257	GDKKMY 	C32H52N8O10S	740.3527	NA	PeJP	NA	NA
+PJ025258	GPPPDKM 	C32H52N8O10S	740.3528	NA	PeJP	NA	NA
+PJ025259	PLYYW 	C40H48N6O8	740.3534	NA	PeJP	NA	NA
+PJ025260	GDKEHR 	C29H48N12O11	740.3566	NA	PeJP	NA	NA
+PJ025261	APLMFY 	C37H52N6O8S	740.3568	NA	PeJP	NA	NA
+PJ025262	ALLMMY 	C34H56N6O8S2	740.3601	NA	PeJP	NA	NA
+PJ025263	GPPERW 	C34H48N10O9	740.3606	NA	PeJP	NA	NA
+MJ092690	1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C37H56O15	740.361921	NA	MeJP	NA	NA
+MJ092691	3,14,19-Trihydroxycard-20(22)-enolide, 19-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-6-deoxy-?-D-allopyranoside] 	C37H56O15	740.361921	NA	MeJP	NA	NA
+MJ092692	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-fucopyranoside] 	C37H56O15	740.361921	NA	MeJP	NA	NA
+MJ092693	Aldgamycin E; 2,3-Didehydro 	C37H56O15	740.361921	NA	MeJP	NA	NA
+MJ092694	Gitaloxigenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-digitaloside] 	C37H56O15	740.361921	NA	MeJP	NA	NA
+MJ092695	Gitaloxigenin; 3-[6-Deoxy-4-O-?-D-glucopyranosyl-3-O-methyl-?-D-galactopyranoside] 	C37H56O15	740.361921	NA	MeJP	NA	NA
+PJ025264	GSKMRY 	C31H52N10O9S	740.364	NA	PeJP	NA	NA
+PJ025265	GPPVWW 	C39H48N8O7	740.3646	NA	PeJP	NA	NA
+PJ025266	GSEHRR 	C28H48N14O10	740.3678	NA	PeJP	NA	NA
+PJ025267	PPLMHF 	C36H52N8O7S	740.368	NA	PeJP	NA	NA
+PJ025268	SSKKEY 	C32H52N8O12	740.3705	NA	PeJP	NA	NA
+PJ025269	GKKMMF 	C33H56N8O7S2	740.3714	NA	PeJP	NA	NA
+PJ025270	DKHRW 	C33H48N12O8	740.3718	NA	PeJP	NA	NA
+PJ025271	GGAPHFR 	C33H48N12O8	740.3719	NA	PeJP	NA	NA
+PJ025272	SPVLYY 	C37H52N6O10	740.3745	NA	PeJP	NA	NA
+PJ025273	GLQMHR 	C30H52N12O8S	740.3752	NA	PeJP	NA	NA
+PJ025274	PPRWW 	C38H48N10O6	740.3759	NA	PeJP	NA	NA
+MJ092696	Nimbolidin A; 1,7-Dideacyl, 1-(2-methylbutanoyl), 7-tigloyl 	C41H56O12	740.377177	NA	MeJP	NA	NA
+PJ025275	TTLLMY 	C34H56N6O10S	740.3779	NA	PeJP	NA	NA
+PJ025276	SSTKRY 	C31H52N10O11	740.3817	NA	PeJP	NA	NA
+PJ025277	GGGGGPVLQ 	C31H52N10O11	740.3818	NA	PeJP	NA	NA
+PJ025278	SHRRW 	C32H48N14O7	740.3831	NA	PeJP	NA	NA
+PJ025279	PPTLQW 	C36H52N8O9	740.3857	NA	PeJP	NA	NA
+PJ025280	PPVDKW 	C36H52N8O9	740.3858	NA	PeJP	NA	NA
+PJ025281	AAMHRR 	C29H52N14O7S	740.3865	NA	PeJP	NA	NA
+PJ025282	ATKKMY 	C33H56N8O9S	740.3891	NA	PeJP	NA	NA
+PJ025283	LLFYW 	C41H52N6O7	740.3898	NA	PeJP	NA	NA
+MJ092697	Antibiotic SF 2132 	C30H52N12O10	740.392935	NA	MeJP	NA	NA
+MJ092698	Antibiotic SF 2139 	C30H52N12O10	740.392935	NA	MeJP	NA	NA
+PJ025284	SPPERR 	C30H52N12O10	740.393	NA	PeJP	NA	NA
+3567	NA	SEPKAIP	740.393	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ025285	ALLMFF 	C38H56N6O7S	740.3932	NA	PeJP	NA	NA
+PJ025286	SPPVRW 	C35H52N10O8	740.397	NA	PeJP	NA	NA
+MJ092699	3,27-Dihydroxyspirostan-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C38H60O14	740.398306	NA	MeJP	NA	NA
+MJ092700	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Pimeloyl-L-argininoyl), 16-Ac 	C39H56N4O10	740.399644	NA	MeJP	NA	NA
+PJ025287	PPLQMR 	C32H56N10O8S	740.4004	NA	PeJP	NA	NA
+PJ025288	ATTHRR 	C29H52N14O9	740.4042	NA	PeJP	NA	NA
+PJ025289	TTTKKY 	C33H56N8O11	740.4069	NA	PeJP	NA	NA
+PJ025290	GPKHFR 	C34H52N12O7	740.4082	NA	PeJP	NA	NA
+PJ025291	GLLLYY 	C38H56N6O9	740.4109	NA	PeJP	NA	NA
+PJ025292	PPCLRR 	C31H56N12O7S	740.4116	NA	PeJP	NA	NA
+PJ025293	PVLQER 	C32H56N10O10	740.4181	NA	PeJP	NA	NA
+MJ092701	Montanastatin 	C36H60N4O12	740.420773	NA	MeJP	NA	NA
+PJ025294	PPTLKW 	C37H56N8O8	740.4221	NA	PeJP	NA	NA
+MJ092702	Cyclogossin A 	C37H56N8O8	740.42211	NA	MeJP	NA	NA
+PJ025295	GGPVLLW 	C37H56N8O8	740.4222	NA	PeJP	NA	NA
+PJ025296	GPPVLKM 	C34H60N8O8S	740.4255	NA	PeJP	NA	NA
+PJ025297	VTTKHR 	C31H56N12O9	740.4293	NA	PeJP	NA	NA
+PJ025298	APLERR 	C31H56N12O9	740.4294	NA	PeJP	NA	NA
+5474	aurein 3,1,1	GLFDIVKKIAGHIA	740.4304	MH2+	Inhouse_peptide	NA	peptide
+PJ025299	GPLLRW 	C36H56N10O7	740.4334	NA	PeJP	NA	NA
+MJ092703	16,22,26-Trihydroxycholest-4-en-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092704	16,22-Dihydroxycholest-4-en-3-one, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092705	Ergosta-5,24(28)-diene-2,3,4,7-tetrol, 4-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092706	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092707	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-mannopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092708	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092709	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092710	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092711	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092712	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092713	Spirostan-3-ol, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092714	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092715	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092716	Spirostane-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092717	Spirostane-3,6,23-triol, 6-O-[?-L-Rhamnopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092718	Spirostane-3,6-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H64O13	740.434692	NA	MeJP	NA	NA
+MJ092719	Tiqueside 	C39H64O13	740.434692	NA	MeJP	NA	NA
+C17075	Timosaponin A-III	C39H64O13	740.4347	NA	KEGG	NA	NA
+PJ025300	PPLKMR 	C33H60N10O7S	740.4368	NA	PeJP	NA	NA
+PJ025301	GPQKRR 	C30H56N14O8	740.4406	NA	PeJP	NA	NA
+PJ025302	AAPLLKE 	C34H60N8O10	740.4433	NA	PeJP	NA	NA
+PJ025303	PVLKER 	C33H60N10O9	740.4545	NA	PeJP	NA	NA
+PJ025304	PVVLKW 	C38H60N8O7	740.4585	NA	PeJP	NA	NA
+PJ025305	SPLLRR 	C32H60N12O8	740.4657	NA	PeJP	NA	NA
+PJ025306	GGPVKKR 	C32H60N12O8	740.4658	NA	PeJP	NA	NA
+MJ092720	3,6,16,22-Hopanetetrol, 16-O-[?-D-Xylopyranosyl-(1?3)-?-D-arabinopyranoside] 	C40H68O12	740.471077	NA	MeJP	NA	NA
+MJ092721	Phthoramycin 	C40H68O12	740.471077	NA	MeJP	NA	NA
+PJ025307	GPKKRR 	C31H60N14O7	740.477	NA	PeJP	NA	NA
+MJ092722	Enterococcus faecalis Sex pheromone cOB1 	C35H64N8O9	740.479625	NA	MeJP	NA	NA
+PJ025308	GPTLLLK 	C35H64N8O9	740.4797	NA	PeJP	NA	NA
+PJ025309	VLLLQR 	C34H64N10O8	740.4909	NA	PeJP	NA	NA
+PJ025310	ALLLRR 	C33H64N12O7	740.5021	NA	PeJP	NA	NA
+PJ025311	AALLLLK 	C36H68N8O8	740.516	NA	PeJP	NA	NA
+PJ025312	VLLLKR 	C35H68N10O7	740.5273	NA	PeJP	NA	NA
+MJ092723	Bacterioruberin 	C50H76O4	740.57436	NA	MeJP	NA	NA
+MJ092724	Iristectorene A; Deacyl, 3-O-octadecanoyl 	C48H84O5	740.631875	NA	MeJP	NA	NA
+7012	synthetic peptide from alpha-gliadin	PFRPQQPYPQPQ	740.862	MH2+	Inhouse_peptide	NA	peptide
+MJ092725	Araplysillin I; N20,N20-Di-Me 	C23H27Br4N3O5	740.868421	NA	MeJP	NA	NA
+PJ025313	ACCCCCH 	C24H39N9O8S5	741.1525	NA	PeJP	NA	NA
+PJ025314	GCCDDDD 	C24H35N7O16S2	741.1582	NA	PeJP	NA	NA
+PJ025315	SSCCCCH 	C24H39N9O10S4	741.1703	NA	PeJP	NA	NA
+PJ025316	SPCCCDD 	C25H39N7O13S3	741.1768	NA	PeJP	NA	NA
+FL7AAIGL0017	Malonylmalvin	C32H37O20	741.18781	121748-28-5	knapsack	NA	NA
+FL7AAIGL0018	Malvidin 3-glucoside-5-(6''-malonylglucoside)	C32H37O20	741.18781	160206-02-0	knapsack	NA	NA
+PJ025317	GCCCNNE 	C24H39N9O12S3	741.1881	NA	PeJP	NA	NA
+PJ025318	GSCDDDM 	C25H39N7O15S2	741.1946	NA	PeJP	NA	NA
+PJ025319	GPCCCEM 	C26H43N7O10S4	741.1955	NA	PeJP	NA	NA
+FL7AAAGL0027	Bisdemalonylmonardaein	C36H37O17	741.20307	167936-45-0	knapsack	NA	NA
+FL7AAAGL0073	Pelargonidin 3-[6-((Z)-p-coumaroyl)glucoside]-5-glucoside	C36H37O17	741.20307	167936-44-9	knapsack	NA	NA
+MetaCyc04087	pelargonidin-3,5-diglucoside-5-O-p-coumaroylglucoside []	C36H37O17	741.203075	NA	metacyc	NA	NA
+C16349	Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)	C36H37O17	741.2031	NA	KEGG	NA	NA
+PJ025320	CCCNNW 	C28H39N9O9S3	741.2033	NA	PeJP	NA	NA
+PJ025321	SSCCNND 	C24H39N9O14S2	741.2058	NA	PeJP	NA	NA
+PJ025322	SCCDEW 	C29H39N7O12S2	741.2098	NA	PeJP	NA	NA
+PJ025323	PCCCMW 	C30H43N7O7S4	741.2107	NA	PeJP	NA	NA
+PJ025324	SSSCDDE 	C25H39N7O17S	741.2123	NA	PeJP	NA	NA
+PJ025325	CNDEMM 	C26H43N7O12S3	741.2132	NA	PeJP	NA	NA
+C12645	Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside	C33H41O19	741.2242	NA	KEGG	NA	NA
+FL7AAAGA0005	Pelargonidin 3-robinobioside-5-glucoside	C33H41O19	741.2242	-	knapsack	NA	NA
+FL7AAAGL0010	Pelargonidin 3-(2G-glucosylrutinoside)	C33H41O19	741.2242	-	knapsack	NA	NA
+FL7AAAGL0013	Pelargonidin 3-rutinoside-5-glucoside	C33H41O19	741.2242	62058-43-9	knapsack	NA	NA
+FL7AAAGL0067	Pelargonidin 3-rutinoside-7-glucoside	C33H41O19	741.2242	215237-85-7	knapsack	NA	NA
+FL7AADGL0028	Peonidin 3-[6-(rhamnosyl)-2-(xylosyl)glucoside]	C33H41O19	741.2242	266315-96-2	knapsack	NA	NA
+MetaCyc04088	pelargonidin-3-O-rutinoside-5-O-&beta;-D-glucoside []	C33H41O19	741.224204	NA	metacyc	NA	NA
+PJ025326	CCDDMR 	C25H43N9O11S3	741.2244	NA	PeJP	NA	NA
+PJ025327	GGGSCCQM 	C25H43N9O11S3	741.2245	NA	PeJP	NA	NA
+PJ025328	CNDDEF 	C29H39N7O14S	741.2276	NA	PeJP	NA	NA
+PJ025329	GCDMMW 	C30H43N7O9S3	741.2285	NA	PeJP	NA	NA
+PJ025330	GSSDDMM 	C26H43N7O14S2	741.231	NA	PeJP	NA	NA
+PJ025331	GPTCCMM 	C27H47N7O9S4	741.2318	NA	PeJP	NA	NA
+PJ025332	CCNEHH 	C27H39N11O10S2	741.2323	NA	PeJP	NA	NA
+PJ025333	GSCCCNR 	C24H43N11O10S3	741.2357	NA	PeJP	NA	NA
+PJ025334	CNNNDY 	C28H39N9O13S	741.2388	NA	PeJP	NA	NA
+PJ025335	GGGGGGCDY 	C28H39N9O13S	741.2389	NA	PeJP	NA	NA
+PJ025336	SSSCNNM 	C25H43N9O13S2	741.2422	NA	PeJP	NA	NA
+PJ025337	GCDDFW 	C33H39N7O11S	741.2429	NA	PeJP	NA	NA
+PJ025338	SNDDEY 	C29H39N7O16	741.2453	NA	PeJP	NA	NA
+PJ025339	GGSDDEY 	C29H39N7O16	741.2454	NA	PeJP	NA	NA
+PJ025340	SSCEMW 	C30H43N7O11S2	741.2462	NA	PeJP	NA	NA
+PJ025341	GCCHHW 	C31H39N11O7S2	741.2476	NA	PeJP	NA	NA
+PJ025342	SSSSDEM 	C26H43N7O16S	741.2487	NA	PeJP	NA	NA
+PJ025343	SNEMMM 	C27H47N7O11S3	741.2496	NA	PeJP	NA	NA
+PJ025344	GSSCDHH 	C27H39N11O12S	741.2501	NA	PeJP	NA	NA
+PJ025345	CMYYY 	C35H43N5O9S2	741.2502	NA	PeJP	NA	NA
+PJ025346	GSPDDDH 	C28H39N9O15	741.2566	NA	PeJP	NA	NA
+PJ025347	CNNNMF 	C29H43N9O10S2	741.2575	NA	PeJP	NA	NA
+PJ025348	GSSSSSCQ 	C25H43N9O15S	741.26	NA	PeJP	NA	NA
+PJ025349	GSDDYW 	C33H39N7O13	741.2606	NA	PeJP	NA	NA
+PJ025350	SCDMMR 	C26H47N9O10S3	741.2608	NA	PeJP	NA	NA
+PJ025351	APCCYW 	C34H43N7O8S2	741.2615	NA	PeJP	NA	NA
+PJ025352	GNEEMY 	C30H43N7O13S	741.264	NA	PeJP	NA	NA
+PJ025353	GSMMMW 	C31H47N7O8S3	741.2649	NA	PeJP	NA	NA
+PJ025354	SSTCCLE 	C27H47N7O13S2	741.2673	NA	PeJP	NA	NA
+PJ025355	GSSTEMM 	C27H47N7O13S2	741.2674	NA	PeJP	NA	NA
+PJ025356	NNNDEH 	C27H39N11O14	741.2678	NA	PeJP	NA	NA
+PJ025357	AQMMMM 	C28H51N7O8S4	741.2682	NA	PeJP	NA	NA
+PJ025358	SCQMHH 	C28H43N11O9S2	741.2687	NA	PeJP	NA	NA
+PJ025359	PPCCHW 	C33H43N9O7S2	741.2727	NA	PeJP	NA	NA
+PJ025360	GCDERY 	C29H43N9O12S	741.2752	NA	PeJP	NA	NA
+MJ092726	Lissoclinamide 4 	C38H43N7O5S2	741.276708	NA	MeJP	NA	NA
+PJ025361	SSSSSSSN 	C25H43N9O17	741.2777	NA	PeJP	NA	NA
+MJ092727	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1-(E-cinnamoyl), 9-benzoyl, 6,14-di-Ac 	C41H43NO12	741.278525	NA	MeJP	NA	NA
+MJ092728	1,4,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1-(Z-cinnamoyl), 9-benzoyl, 6,14-di-Ac 	C41H43NO12	741.278525	NA	MeJP	NA	NA
+MJ092729	Delgrandine 	C41H43NO12	741.278525	NA	MeJP	NA	NA
+PJ025362	SSSCCQK 	C26H47N9O12S2	741.2786	NA	PeJP	NA	NA
+PJ025363	NEMYW 	C34H43N7O10S	741.2792	NA	PeJP	NA	NA
+PJ025364	GGPCDFF 	C34H43N7O10S	741.2793	NA	PeJP	NA	NA
+PJ025365	ACMMMR 	C27H51N9O7S4	741.2795	NA	PeJP	NA	NA
+PJ025366	SCCHHR 	C27H43N13O8S2	741.2799	NA	PeJP	NA	NA
+PJ025367	SSQEEY 	C30H43N7O15	741.2817	NA	PeJP	NA	NA
+MJ092730	3-(Methylthio)rifamycin; 1,4-Quinone 	C38H47NO12S	741.281896	NA	MeJP	NA	NA
+PJ025368	SSTMMW 	C31H47N7O10S2	741.2826	NA	PeJP	NA	NA
+PJ025369	GNNDHW 	C31H39N11O11	741.2831	NA	PeJP	NA	NA
+PJ025370	CFFYY 	C39H43N5O8S	741.2832	NA	PeJP	NA	NA
+PJ025371	SSSTTEM 	C27H47N7O15S	741.2851	NA	PeJP	NA	NA
+PJ025372	SDKMMM 	C28H51N7O10S3	741.286	NA	PeJP	NA	NA
+PJ025373	GSSSMHH 	C28H43N11O11S	741.2864	NA	PeJP	NA	NA
+PJ025374	PCDDHR 	C28H43N11O11S	741.2865	NA	PeJP	NA	NA
+PJ025375	CDRYW 	C33H43N9O9S	741.2905	NA	PeJP	NA	NA
+MJ092731	Glycoprotein 	C28H47N5O18	741.291609	NA	MeJP	NA	NA
+PJ025376	SSDDRY 	C29H43N9O14	741.293	NA	PeJP	NA	NA
+PJ025377	PTCCRY 	C30H47N9O9S2	741.2938	NA	PeJP	NA	NA
+PJ025378	GCEMFR 	C30H47N9O9S2	741.2939	NA	PeJP	NA	NA
+PJ025379	GMYWW 	C38H43N7O7S	741.2945	NA	PeJP	NA	NA
+PJ025380	GSSSSSCK 	C26H47N9O14S	741.2963	NA	PeJP	NA	NA
+PJ025381	GSTEYW 	C34H43N7O12	741.297	NA	PeJP	NA	NA
+PJ025382	SSMMMR 	C27H51N9O9S3	741.2972	NA	PeJP	NA	NA
+PJ025383	QMMFW 	C35H47N7O7S2	741.2979	NA	PeJP	NA	NA
+PJ025384	GDKEMY 	C31H47N7O12S	741.3004	NA	PeJP	NA	NA
+PJ025385	AYYYY 	C39H43N5O10	741.301	NA	PeJP	NA	NA
+PJ025386	GNMHHF 	C32H43N11O8S	741.3017	NA	PeJP	NA	NA
+PJ025387	SSSSLMM 	C28H51N7O12S2	741.3037	NA	PeJP	NA	NA
+PJ025388	GDEEHR 	C28H43N11O13	741.3042	NA	PeJP	NA	NA
+PJ025389	AKMMMM 	C29H55N7O7S4	741.3046	NA	PeJP	NA	NA
+PJ025390	SCKMHH 	C29H47N11O8S2	741.3051	NA	PeJP	NA	NA
+PJ025391	AAEEHW 	C33H43N9O11	741.3082	NA	PeJP	NA	NA
+PJ025392	GGGGPPDW 	C33H43N9O11	741.3083	NA	PeJP	NA	NA
+PJ025393	CMFRW 	C34H47N9O6S2	741.3091	NA	PeJP	NA	NA
+PJ025394	GSEMRY 	C30H47N9O11S	741.3116	NA	PeJP	NA	NA
+PJ025395	STYWW 	C38H43N7O9	741.3122	NA	PeJP	NA	NA
+PJ025396	GGPYYW 	C38H43N7O9	741.3123	NA	PeJP	NA	NA
+MJ092732	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 8-(2-methylbutanoyl), 2,9-dibenzoyl, 6-Ac 	C42H47NO11	741.314911	NA	MeJP	NA	NA
+PJ025397	SSSCCKK 	C27H51N9O11S2	741.315	NA	PeJP	NA	NA
+PJ025398	SNNDHR 	C27H43N13O12	741.3154	NA	PeJP	NA	NA
+PJ025399	GGGGSDHR 	C27H43N13O12	741.3155	NA	PeJP	NA	NA
+PJ025400	DKMYW 	C35H47N7O9S	741.3156	NA	PeJP	NA	NA
+PJ025401	SSKEEY 	C31H47N7O14	741.3181	NA	PeJP	NA	NA
+PJ025402	GLQMMY 	C32H51N7O9S2	741.319	NA	PeJP	NA	NA
+PJ025403	DEHRW 	C32H43N11O10	741.3195	NA	PeJP	NA	NA
+PJ025404	STTTTTM 	C28H51N7O14S	741.3215	NA	PeJP	NA	NA
+PJ025405	TTKMMM 	C29H55N7O9S3	741.3224	NA	PeJP	NA	NA
+PJ025406	SPDMHR 	C29H47N11O10S	741.3228	NA	PeJP	NA	NA
+PJ025407	GGGGVQMH 	C29H47N11O10S	741.3229	NA	PeJP	NA	NA
+PJ025408	VDHWW 	C37H43N9O8	741.3235	NA	PeJP	NA	NA
+PJ025409	SMRYW 	C34H47N9O8S	741.3268	NA	PeJP	NA	NA
+PJ025410	APTMHW 	C34H47N9O8S	741.3269	NA	PeJP	NA	NA
+PJ025411	GFFWW 	C42H43N7O6	741.3275	NA	PeJP	NA	NA
+PJ025412	SSTERY 	C30H47N9O13	741.3294	NA	PeJP	NA	NA
+PJ025413	AAMMRY 	C31H51N9O8S2	741.3302	NA	PeJP	NA	NA
+PJ025414	SPQHHH 	C31H43N13O9	741.3307	NA	PeJP	NA	NA
+PJ025415	SSSLYW 	C35H47N7O11	741.3334	NA	PeJP	NA	NA
+PJ025416	GNQMHR 	C28H47N13O9S	741.3341	NA	PeJP	NA	NA
+PJ025417	KMMFW 	C36H51N7O6S2	741.3343	NA	PeJP	NA	NA
+PJ025418	ATKEMY 	C32H51N7O11S	741.3367	NA	PeJP	NA	NA
+PJ025419	GAVTTMY 	C32H51N7O11S	741.3368	NA	PeJP	NA	NA
+PJ025420	ACKHHF 	C33H47N11O7S	741.3381	NA	PeJP	NA	NA
+PJ025421	ATEEHR 	C29H47N11O12	741.3406	NA	PeJP	NA	NA
+PJ025422	APMMHR 	C30H51N11O7S2	741.3415	NA	PeJP	NA	NA
+3969	NA	RADHPF	741.3429	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ025423	GTLEHW 	C34H47N9O10	741.3446	NA	PeJP	NA	NA
+PJ025424	GCNHRR 	C27H47N15O8S	741.3453	NA	PeJP	NA	NA
+PJ025425	ATTMRY 	C31H51N9O10S	741.348	NA	PeJP	NA	NA
+PJ025426	VQFYW 	C39H47N7O8	741.3486	NA	PeJP	NA	NA
+PJ025427	SSQQHR 	C28H47N13O11	741.3518	NA	PeJP	NA	NA
+PJ025428	GGGGGGPQR 	C28H47N13O11	741.3519	NA	PeJP	NA	NA
+PJ025429	GPKMFY 	C36H51N7O8S	741.352	NA	PeJP	NA	NA
+PJ025430	TTTKEY 	C32H51N7O13	741.3545	NA	PeJP	NA	NA
+PJ025431	GLKMMY 	C33H55N7O8S2	741.3554	NA	PeJP	NA	NA
+PJ025432	ASNKHW 	C33H47N11O9	741.3558	NA	PeJP	NA	NA
+PJ025433	GSQKHW 	C33H47N11O9	741.3559	NA	PeJP	NA	NA
+PJ025434	GLEMHR 	C30H51N11O9S	741.3592	NA	PeJP	NA	NA
+PJ025435	TLHWW 	C38H47N9O7	741.3599	NA	PeJP	NA	NA
+PJ025436	ACLLHW 	C35H51N9O7S	741.3632	NA	PeJP	NA	NA
+PJ025437	GVLMHW 	C35H51N9O7S	741.3633	NA	PeJP	NA	NA
+PJ025438	TTTTRY 	C31H51N9O12	741.3657	NA	PeJP	NA	NA
+PJ025439	GSSLLEH 	C31H51N9O12	741.3658	NA	PeJP	NA	NA
+PJ025440	PVKMMH 	C32H55N9O7S2	741.3666	NA	PeJP	NA	NA
+PJ025441	SPKHHH 	C32H47N13O8	741.3671	NA	PeJP	NA	NA
+PJ025442	PPTLEW 	C36H51N7O10	741.3698	NA	PeJP	NA	NA
+PJ025443	PPCNRR 	C29H51N13O8S	741.3705	NA	PeJP	NA	NA
+PJ025444	PHFRW 	C37H47N11O6	741.3711	NA	PeJP	NA	NA
+3630	NA	YPFGFL~	741.372	ACE inhibitor	Inhouse_peptide	NA	peptide
+3632	NA	YPFGFI~	741.372	ACE inhibitor	Inhouse_peptide	NA	peptide
+7729	NA	TYRKPPFNGSIFG	741.37295	MH2+	Inhouse_peptide	NA	peptide
+PJ025445	STLKMY 	C33H55N7O10S	741.3731	NA	PeJP	NA	NA
+PJ025446	GPPVLEM 	C33H55N7O10S	741.3732	NA	PeJP	NA	NA
+PJ025447	LMHRW 	C34H51N11O6S	741.3745	NA	PeJP	NA	NA
+PJ025448	STLEHR 	C30H51N11O11	741.377	NA	PeJP	NA	NA
+PJ025449	GVHHHR 	C31H47N15O7	741.3783	NA	PeJP	NA	NA
+PJ025450	SSLLHW 	C35H51N9O9	741.381	NA	PeJP	NA	NA
+PJ025451	PPLEMR 	C32H55N9O9S	741.3844	NA	PeJP	NA	NA
+PJ025452	VKFYW 	C40H51N7O7	741.385	NA	PeJP	NA	NA
+PJ025453	GPQERR 	C29H51N13O10	741.3882	NA	PeJP	NA	NA
+PJ025454	PPVLMW 	C37H55N7O7S	741.3884	NA	PeJP	NA	NA
+PJ025455	HHHRR 	C30H47N17O6	741.3896	NA	PeJP	NA	NA
+PJ025456	AAPLLEE 	C33H55N7O12	741.3909	NA	PeJP	NA	NA
+PJ025457	GPVQRW 	C34H51N11O8	741.3922	NA	PeJP	NA	NA
+PJ025458	GGGPLRW 	C34H51N11O8	741.3923	NA	PeJP	NA	NA
+MJ092733	Antibiotic YS 822A 	C37H59NO14	741.393555	NA	MeJP	NA	NA
+PJ025459	SVLMHR 	C31H55N11O8S	741.3956	NA	PeJP	NA	NA
+PJ025460	PVLEER 	C32H55N9O11	741.4021	NA	PeJP	NA	NA
+PJ025461	AAAAPVDK 	C32H55N9O11	741.4022	NA	PeJP	NA	NA
+PJ025462	PQRRW 	C33H51N13O7	741.4035	NA	PeJP	NA	NA
+PJ025463	ATLKFY 	C37H55N7O9	741.4061	NA	PeJP	NA	NA
+PJ025464	PVVLEW 	C37H55N7O9	741.4062	NA	PeJP	NA	NA
+PJ025465	ACKKHR 	C30H55N13O7S	741.4068	NA	PeJP	NA	NA
+PJ025466	APPTLLM 	C34H59N7O9S	741.4095	NA	PeJP	NA	NA
+PJ025467	PVNKER 	C31H55N11O10	741.4134	NA	PeJP	NA	NA
+MJ092734	Halisulfate 1; 1,7,9-Trimethylguaninium salt 	C39H59N5O7S	741.413519	NA	MeJP	NA	NA
+PJ025468	SPPKKW 	C36H55N9O8	741.4174	NA	PeJP	NA	NA
+PJ025469	TLLKMH 	C33H59N9O8S	741.4208	NA	PeJP	NA	NA
+2979	kinases inhibitor	KKAVRRQEAVDAL	741.42395	MH2+	Inhouse_peptide	NA	peptide
+2991	kinases inhibitor	KKALRRQEGVDAL	741.42395	MH2+	Inhouse_peptide	NA	peptide
+2990	kinases inhibitor	KKALRRNEAVDAL	741.4244	MH2+	Inhouse_peptide	NA	peptide
+PJ025470	GPKERR 	C30H55N13O9	741.4246	NA	PeJP	NA	NA
+PJ025471	GPTLLLE 	C34H59N7O11	741.4273	NA	PeJP	NA	NA
+PJ025472	GPVKRW 	C35H55N11O7	741.4286	NA	PeJP	NA	NA
+8159	ACE inhibitor from b-CN (203-209)	GPFPIIV	741.429	antibacterial	Inhouse_peptide	NA	peptide
+MJ092735	Cirramycin A1; 4'-O-(2,6-Dideoxy-3C-methyl-ribo-hexopyranosyl) 	C38H63NO13	741.429941	NA	MeJP	NA	NA
+MJ092736	Tylosin; 23-Deglycosyl 	C38H63NO13	741.429941	NA	MeJP	NA	NA
+PJ025473	AKKKMH 	C32H59N11O7S	741.432	NA	PeJP	NA	NA
+PJ025474	GPTRRR 	C29H55N15O8	741.4358	NA	PeJP	NA	NA
+PJ025475	PLQKKE 	C33H59N9O10	741.4385	NA	PeJP	NA	NA
+PJ025476	PKRRW 	C34H55N13O6	741.4399	NA	PeJP	NA	NA
+PJ025477	PTLLLW 	C38H59N7O8	741.4425	NA	PeJP	NA	NA
+PJ025478	GPPVLLF 	C38H59N7O8	741.4426	NA	PeJP	NA	NA
+PJ025479	GPVLLLM 	C35H63N7O8S	741.4459	NA	PeJP	NA	NA
+PJ025480	PVDKKR 	C32H59N11O9	741.4498	NA	PeJP	NA	NA
+PJ025481	APLKKW 	C37H59N9O7	741.4538	NA	PeJP	NA	NA
+PJ025482	PLLLMR 	C34H63N9O7S	741.4572	NA	PeJP	NA	NA
+PJ025483	SPVKRR 	C31H59N13O8	741.461	NA	PeJP	NA	NA
+PJ025484	AALLLLE 	C35H63N7O10	741.4637	NA	PeJP	NA	NA
+PJ025485	AALRRR 	C30H59N15O7	741.4722	NA	PeJP	NA	NA
+PJ025486	VLLLER 	C34H63N9O9	741.4749	NA	PeJP	NA	NA
+PJ025487	VVLLLW 	C39H63N7O7	741.4789	NA	PeJP	NA	NA
+PJ025488	VRRRR 	C29H59N17O6	741.4835	NA	PeJP	NA	NA
+MJ092737	Taurospongin A 	C40H71NO9S	741.484953	NA	MeJP	NA	NA
+PJ025489	PTLKKR 	C33H63N11O8	741.4861	NA	PeJP	NA	NA
+PJ025490	GLLKRR 	C32H63N13O7	741.4974	NA	PeJP	NA	NA
+PJ025491	GTLLLLL 	C36H67N7O9	741.5001	NA	PeJP	NA	NA
+PJ025492	LLLQKK 	C35H67N9O8	741.5113	NA	PeJP	NA	NA
+PJ025493	VVLKKR 	C34H67N11O7	741.5225	NA	PeJP	NA	NA
+MJ092738	Pepstatins; Pepstatin I 	C38H71N5O9	741.525178	NA	MeJP	NA	NA
+HMDB05349	GPEtn(18:1(9Z)/18:2(9Z,12Z))	C41H76NO8P	741.53082	http://www.hmdb.ca/metabolites/HMDB05349	HMDB	NA	NA
+HMDB05349	GPEtn(18:1(9Z)/18:2(9Z,12Z))	C41H76NO8P	741.53082	HMDB05349	PFEM_hmdb_metabocards_official	NA	NA
+EUR951	PC 34:3 [M-H-CH3]-	C42H78NO8P	741.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR951	PC 34:3 [M-H-CH3]-	C42H78NO8P	741.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR951	PC 34:3 [M-H-CH3]-	C42H78NO8P	741.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR951	PC 34:3 [M-H-CH3]-	C42H78NO8P	741.530857	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07941	PC(15:0/18:3(6Z,9Z,12Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB07942	PC(15:0/18:3(9Z,12Z,15Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08165	PC(18:3(6Z,9Z,12Z)/15:0)	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08198	PC(18:3(9Z,12Z,15Z)/15:0)	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08876	PE(14:1(9Z)/22:2(13Z,16Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08935	PE(16:0/20:3(5Z,8Z,11Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08936	PE(16:0/20:3(8Z,11Z,14Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08967	PE(16:1(9Z)/20:2(11Z,14Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08995	PE(18:0/18:3(6Z,9Z,12Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB08996	PE(18:0/18:3(9Z,12Z,15Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09027	PE(18:1(11Z)/18:2(9Z,12Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09060	PE(18:1(9Z)/18:2(9Z,12Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09091	PE(18:2(9Z,12Z)/18:1(11Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09092	PE(18:2(9Z,12Z)/18:1(9Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09123	PE(18:3(6Z,9Z,12Z)/18:0)	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09156	PE(18:3(9Z,12Z,15Z)/18:0)	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09287	PE(20:2(11Z,14Z)/16:1(9Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09319	PE(20:3(5Z,8Z,11Z)/16:0)	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09352	PE(20:3(8Z,11Z,14Z)/16:0)	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+HMDB09548	PE(22:2(13Z,16Z)/14:1(9Z))	C41H76NO8P	741.530884	NA	HMDB2010	NA	NA
+PJ025494	LLLKKK 	C36H71N9O7	741.5477	NA	PeJP	NA	NA
+HMDB08029	PC(16:1(9Z)/P-18:1(11Z))	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+HMDB08030	PC(16:1(9Z)/P-18:1(9Z))	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+HMDB08159	PC(18:2(9Z,12Z)/P-16:0)	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+HMDB11211	PC(P-16:0/18:2(9Z,12Z))	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+HMDB11273	PC(P-18:1(11Z)/16:1(9Z))	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+HMDB11306	PC(P-18:1(9Z)/16:1(9Z))	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+HMDB13413	PC(o-16:1(9Z)/18:2(9Z,12Z))	C42H80NO7P	741.567261	NA	HMDB2010	NA	NA
+MJ092739	Manzamenone A; Amide 	C46H79NO6	741.590739	NA	MeJP	NA	NA
+MJ092740	Manzamenone J 	C46H79NO6	741.590739	NA	MeJP	NA	NA
+2989	kinases inhibitor	KKALRRDEAVDAL	741.9164	MH2+	Inhouse_peptide	NA	peptide
+3223	C-terminal fr, of human receptor of interleukin	QRRQRKSRRTI	741.93895	MH2+	Inhouse_peptide	NA	peptide
+MJ092741	2''',8-Bieckol 	C36H22O18	742.080613	NA	MeJP	NA	NA
+MJ092742	6,6'-Bieckol 	C36H22O18	742.080613	NA	MeJP	NA	NA
+MJ092743	6,8'-Bieckol 	C36H22O18	742.080613	NA	MeJP	NA	NA
+MJ092744	8,8'-Bieckol 	C36H22O18	742.080613	NA	MeJP	NA	NA
+MJ092745	Dieckol 	C36H22O18	742.080613	NA	MeJP	NA	NA
+PJ025495	GCCCNDE 	C24H38N8O13S3	742.1721	NA	PeJP	NA	NA
+FL5FACGS0101	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-(2''-(E)-p-coumaroylglucoside);3-[[6-O-alpha-L-arabinopyranosyl-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C35H34O18	742.17451	478622-14-9	knapsack	NA	NA
+MJ092746	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(3,4-dihydroxycinnamoyl)-(?6)-?-D-glucopyranoside](E-) 	C35H35O18(+)	742.174514	NA	MeJP	NA	NA
+MJ092747	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[(3,4-dihydroxy-Z-cinnamoyl)-(?6)]-?-D-glucopyranoside] 	C35H35O18(+)	742.174514	NA	MeJP	NA	NA
+MJ092748	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5',6'-Tetrabenzoyl 	C46H30O10	742.183897	NA	MeJP	NA	NA
+PJ025496	CCCNDW 	C28H38N8O10S3	742.1873	NA	PeJP	NA	NA
+PJ025497	SSCCNDD 	C24H38N8O15S2	742.1898	NA	PeJP	NA	NA
+PJ025498	SPCCCCQ 	C25H42N8O10S4	742.1907	NA	PeJP	NA	NA
+C10175	Quercetin 3-(2G-xylosylrutinoside)	C32H38O20	742.1956	NA	KEGG	NA	NA
+FL5FAAGL0033	Kaempferol 3-sambubioside-7-glucoside	C32H38O20	742.19564	58699-70-0	knapsack	NA	NA
+FL5FAAGL0034	Kaempferol 3-sophoroside-7-alpha-L-arabinofuranoside	C32H38O20	742.19564	132998-80-2	knapsack	NA	NA
+FL5FAAGL0048	Kaempferol 3-apiosyl-(1->2)-glucoside-4'-glucoside	C32H38O20	742.19564	148031-71-4	knapsack	NA	NA
+FL5FAAGS0091	Depressonol A;Kaempferol 3-glucosyl-(1->4)-galactoside-7-alpha-L-arabinofuranoside;7-(alpha-L-arabinofuranosyloxy)-3-[(4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C32H38O20	742.19564	425663-52-1	knapsack	NA	NA
+FL5FACGA0018	Quercetin 3-(2Gal-apiosylrobinobioside)	C32H38O20	742.19564	165880-62-6	knapsack	NA	NA
+FL5FACGL0021	Quercetin 3-(2R-apiosylrutinoside);Quercetin 3-apiosyl-(1->2)-rhamnosyl-(1->6)-glucoside;3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C32H38O20	742.19564	151261-96-0	knapsack	NA	NA
+FL5FACGL0025	Quercetin 3-(2G-apiosylrutinoside)	C32H38O20	742.19564	63947-67-1	knapsack	NA	NA
+FL5FACGL0026	Quercetin 3-(2G-xylosylrutinoside)	C32H38O20	742.19564	129235-39-8	knapsack	NA	NA
+FL5FACGL0032	Quercetin 3-sambubioside-7-rhamnoside;Quercetin 3-xylosyl-(1->2)-glucoside-7-rhamoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C32H38O20	742.19564	142059-77-6	knapsack	NA	NA
+FL5FACGS0041	Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside	C32H38O20	742.19564	146441-37-4	knapsack	NA	NA
+FL5FACGS0073	Quercetin 3-xylosyl-(1->2)-rhamnosyl-(1->6)-glucoside;Saluenin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-beta-D-xylopyranosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C32H38O20	742.19564	288096-26-4	knapsack	NA	NA
+FL5FACGS0077	Quercetin 7-(2G-xylosylrutinoside);7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one	C32H38O20	742.19564	213473-56-4	knapsack	NA	NA
+FL5FACGS0079	Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinopyranoside-7-glucoside;Calabricoside A;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C32H38O20	742.19564	356518-09-7	knapsack	NA	NA
+FL5FACGS0083	Quercetin 3-rutinoside-3'-apioside;Plantaovaside;2-[3-(D-Apio-beta-D-furanosyloxy)-4-hydroxyphenyl]-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one	C32H38O20	742.19564	420825-83-8	knapsack	NA	NA
+MJ092749	3',4',5,7-Tetrahydroxyflavone; 4'-O-?-D-Glucofuranoside, 7-O-[?-L-arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092750	Astragalin; 2''-?-D-Glucopyranosyl, 7-O-?-L-arabinofuranoside 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092751	Astragalin; 3''-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092752	Hyperin; 2''-O-?-D-Apiofuranosyl, 6''-O-?-L-rhamnopyranosyl 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092753	Isoquercitrin; 2''-O-?-D-Xylopyranosyl, 6''-O-?-L-rhamnopyranosyl 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092754	Isoquercitrin; 6''-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl] 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092755	Populnin; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092756	Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092757	Quercitrin; 4''-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl] 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092758	Rutin; 2''-O-?-D-Apiofuranosyl 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092759	Rutin; 2''-O-?-D-Xylopyranosyl 	C32H38O20	742.195643	NA	MeJP	NA	NA
+MJ092760	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C32H39O20(+)	742.195643	NA	MeJP	NA	NA
+MJ092761	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 7-O-D-xyloside 	C32H39O20(+)	742.195643	NA	MeJP	NA	NA
+MJ092762	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 3-O-D-xyloside 	C32H39O20(+)	742.195643	NA	MeJP	NA	NA
+MJ092763	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C32H39O20(+)	742.195643	NA	MeJP	NA	NA
+MJ092764	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[Arabinosyl-(1??)-glucoside], 5-O-glucoside 	C32H39O20(+)	742.195643	NA	MeJP	NA	NA
+MetaCyc04089	quercetin 3-O-{&beta;-L-rhamnosyl-(1->6)]-&beta;-D-glucoside} []	C32H38O20	742.195644	NA	metacyc	NA	NA
+PJ025499	CDDEMM 	C26H42N6O13S3	742.1972	NA	PeJP	NA	NA
+MJ092765	Topsentiasterol sulfate A; 28-Deoxy 	C30H46O15S3	742.199882	NA	MeJP	NA	NA
+MJ092766	Cercosporin; 2',2''-Dibenzoyl 	C43H34O12	742.205026	NA	MeJP	NA	NA
+PJ025500	CCCMHF 	C29H42N8O7S4	742.206	NA	PeJP	NA	NA
+PJ025501	GSCCNEM 	C25H42N8O12S3	742.2085	NA	PeJP	NA	NA
+MJ092767	Protodactynaphin jc-1 	C36H38O17	742.210899	NA	MeJP	NA	NA
+PJ025502	CDDDEF 	C29H38N6O15S	742.2116	NA	PeJP	NA	NA
+PJ025503	CCDEHH 	C27H38N10O11S2	742.2163	NA	PeJP	NA	NA
+PJ025504	GSCCCDR 	C24H42N10O11S3	742.2197	NA	PeJP	NA	NA
+PJ025505	CNNDDY 	C28H38N8O14S	742.2228	NA	PeJP	NA	NA
+PJ025506	GGCNDDY 	C28H38N8O14S	742.2229	NA	PeJP	NA	NA
+PJ025507	SCCNMW 	C29H42N8O9S3	742.2237	NA	PeJP	NA	NA
+PJ025508	SSSCNDM 	C25H42N8O14S2	742.2262	NA	PeJP	NA	NA
+PJ025509	CNNMMM 	C26H46N8O9S4	742.2271	NA	PeJP	NA	NA
+PJ025510	SDDDEY 	C29H38N6O17	742.2294	NA	PeJP	NA	NA
+PJ025511	PCDDMY 	C30H42N6O12S2	742.2302	NA	PeJP	NA	NA
+FL2FAAGS0019	Narirutin 4'-glucoside	C33H42O19	742.23202	17257-22-6	knapsack	NA	NA
+FL2FAAGS0020	Naringin 4'-glucoside	C33H42O19	742.23202	17257-21-5	knapsack	NA	NA
+MJ092768	2',4,4'-Trihydroxychalcone; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside], 4-O-?-D-glucopyranoside 	C33H42O19	742.232029	NA	MeJP	NA	NA
+MJ092769	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H42O19	742.232029	NA	MeJP	NA	NA
+MJ092770	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H42O19	742.232029	NA	MeJP	NA	NA
+MJ092771	Calceolarioside E; 6-O-?-D-Apiofuranosyl 	C33H42O19	742.232029	NA	MeJP	NA	NA
+MJ092772	Troxerutin 	C33H42O19	742.232029	NA	MeJP	NA	NA
+HMDB06083	Troxerutin	C33H42O19	742.232056	NA	HMDB2010	NA	NA
+HMDB06083	Troxerutin	C33H42O19	742.23206	http://www.hmdb.ca/metabolites/HMDB06083	HMDB	NA	NA
+HMDB06083	Troxerutin	C33H42O19	742.23206	HMDB06083	PFEM_hmdb_metabocards_official	NA	NA
+PJ025512	SDEMMM 	C27H46N6O12S3	742.2336	NA	PeJP	NA	NA
+PJ025513	PCMMMM 	C28H50N6O7S5	742.2345	NA	PeJP	NA	NA
+PJ025514	CCCQMR 	C25H46N10O8S4	742.2383	NA	PeJP	NA	NA
+PJ025515	GSSTCCW 	C29H42N8O11S2	742.2415	NA	PeJP	NA	NA
+PJ025516	GSSSSSCE 	C25H42N8O16S	742.244	NA	PeJP	NA	NA
+PJ025517	GSSCQMM 	C26H46N8O11S3	742.2448	NA	PeJP	NA	NA
+PJ025518	GGGSTCMM 	C26H46N8O11S3	742.2449	NA	PeJP	NA	NA
+PJ025519	GDEEMY 	C30H42N6O14S	742.248	NA	PeJP	NA	NA
+HMDB00743	Hexacarboxylporphyrin I	C38H38N4O12	742.248596	NA	HMDB2010	NA	NA
+HMDB00780	Porphinehexacarboxylic acid	C38H38N4O12	742.248596	NA	HMDB2010	NA	NA
+HMDB01952	Hexacarboxylporphyrin III	C38H38N4O12	742.248596	NA	HMDB2010	NA	NA
+HMDB00743	Hexacarboxylporphyrin I	C38H38N4O12	742.2486	http://www.hmdb.ca/metabolites/HMDB00743	HMDB	NA	NA
+HMDB00780	Porphinehexacarboxylic acid	C38H38N4O12	742.2486	http://www.hmdb.ca/metabolites/HMDB00780	HMDB	NA	NA
+HMDB01952	Hexacarboxylporphyrin III	C38H38N4O12	742.2486	http://www.hmdb.ca/metabolites/HMDB01952	HMDB	NA	NA
+HMDB00743	Hexacarboxylporphyrin I	C38H38N4O12	742.2486	HMDB00743	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00780	Porphinehexacarboxylic acid	C38H38N4O12	742.2486	HMDB00780	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01952	Hexacarboxylporphyrin III	C38H38N4O12	742.2486	HMDB01952	PFEM_hmdb_metabocards_official	NA	NA
+PJ025520	PCDMMF 	C31H46N6O9S3	742.2489	NA	PeJP	NA	NA
+PJ025521	CCCCRR 	C24H46N12O7S4	742.2496	NA	PeJP	NA	NA
+PJ025522	NNDDEH 	C27H38N10O15	742.2518	NA	PeJP	NA	NA
+PJ025523	GGNDDEH 	C27H38N10O15	742.2519	NA	PeJP	NA	NA
+PJ025524	AEMMMM 	C28H50N6O9S4	742.2522	NA	PeJP	NA	NA
+PJ025525	SCEMHH 	C28H42N10O10S2	742.2527	NA	PeJP	NA	NA
+PJ025526	GSSCCMR 	C25H46N10O10S3	742.2561	NA	PeJP	NA	NA
+PJ025527	GCCQFW 	C33H42N8O8S2	742.2567	NA	PeJP	NA	NA
+PJ025528	SSSSSCW 	C29H42N8O13S	742.2592	NA	PeJP	NA	NA
+PJ025529	TCCCKW 	C30H46N8O8S3	742.2601	NA	PeJP	NA	NA
+PJ025530	SSSSSSSD 	C25H42N8O18	742.2617	NA	PeJP	NA	NA
+MJ092773	3',4',5,9,9'-Pentahydroxy-4,7'-epoxylignan, 5'-Methoxy, 3',5-di-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-) 	C41H42O13	742.262541	NA	MeJP	NA	NA
+PJ025531	SSSSNMM 	C26H46N8O13S2	742.2626	NA	PeJP	NA	NA
+PJ025532	DEMYW 	C34H42N6O11S	742.2633	NA	PeJP	NA	NA
+PJ025533	CCQKMM 	C27H50N8O8S4	742.2635	NA	PeJP	NA	NA
+PJ025534	SSEEEY 	C30H42N6O16	742.2657	NA	PeJP	NA	NA
+PJ025535	STDEEY 	C30H42N6O16	742.2658	NA	PeJP	NA	NA
+PJ025536	SPDMMY 	C31H46N6O11S2	742.2666	NA	PeJP	NA	NA
+PJ025537	GNDDHW 	C31H38N10O12	742.2671	NA	PeJP	NA	NA
+PJ025538	PCCHHF 	C32H42N10O7S2	742.268	NA	PeJP	NA	NA
+C10543	Acanthoside D	C34H46O18	742.2684	NA	KEGG	NA	NA
+MJ092774	2,3-Dihydroxy-2-(2-methylpropyl)butanedioic acid, Bis(4-?-D-glucopyranosyloxybenzyl) ester 	C34H46O18	742.268414	NA	MeJP	NA	NA
+MJ092775	Syringaresinol, 7-Epimer, di-O-?-D-glucopyranoside 	C34H46O18	742.268414	NA	MeJP	NA	NA
+MJ092776	Syringaresinol, Di-O-?-D-glucopyranoside 	C34H46O18	742.268414	NA	MeJP	NA	NA
+PJ025539	TTEMMM 	C28H50N6O11S3	742.27	NA	PeJP	NA	NA
+PJ025540	GSPCNEH 	C28H42N10O12S	742.2705	NA	PeJP	NA	NA
+PJ025541	GMMMHH 	C29H46N10O7S3	742.2713	NA	PeJP	NA	NA
+PJ025542	SSSTCCR 	C25H46N10O12S2	742.2738	NA	PeJP	NA	NA
+PJ025543	GSCQYW 	C33H42N8O10S	742.2745	NA	PeJP	NA	NA
+PJ025544	CCCKMR 	C26H50N10O7S4	742.2747	NA	PeJP	NA	NA
+PJ025545	GSSSNEY 	C29H42N8O15	742.277	NA	PeJP	NA	NA
+MJ092777	Licoagrone 	C45H42O10	742.277797	NA	MeJP	NA	NA
+PJ025546	ACQQMY 	C30H46N8O10S2	742.2778	NA	PeJP	NA	NA
+PJ025547	GNQMMY 	C30H46N8O10S2	742.2779	NA	PeJP	NA	NA
+PJ025548	GSSSSSTM 	C26H46N8O15S	742.2804	NA	PeJP	NA	NA
+PJ025549	GPDEYY 	C34H42N6O13	742.281	NA	PeJP	NA	NA
+PJ025550	GSSCKMM 	C27H50N8O10S3	742.2812	NA	PeJP	NA	NA
+PJ025551	NNNNMH 	C27H42N12O11S	742.2817	NA	PeJP	NA	NA
+PJ025552	EMMFW 	C35H46N6O8S2	742.2819	NA	PeJP	NA	NA
+MJ092778	Febrinin B; 14,15-Dihydro, 2',3'-epoxide 	C38H46O15	742.28367	NA	MeJP	NA	NA
+PJ025553	ATEEMY 	C31H46N6O13S	742.2844	NA	PeJP	NA	NA
+PJ025554	APMMMY 	C32H50N6O8S3	742.2852	NA	PeJP	NA	NA
+PJ025555	PVCMMY 	C32H50N6O8S3	742.2853	NA	PeJP	NA	NA
+PJ025556	SPCNHW 	C32H42N10O9S	742.2857	NA	PeJP	NA	NA
+PJ025557	SNQEEH 	C28H42N10O14	742.2882	NA	PeJP	NA	NA
+PJ025558	SLMMMM 	C29H54N6O8S4	742.2886	NA	PeJP	NA	NA
+PJ025559	GCNMRY 	C29H46N10O9S2	742.2891	NA	PeJP	NA	NA
+PJ025560	SSSNYW 	C33H42N8O12	742.2922	NA	PeJP	NA	NA
+PJ025561	PPNDDW 	C33H42N8O12	742.2923	NA	PeJP	NA	NA
+PJ025562	GCCKFW 	C34H46N8O7S2	742.2931	NA	PeJP	NA	NA
+MJ092779	Victoricine 	C32H47ClN6O12	742.294048	NA	MeJP	NA	NA
+PJ025563	SSQQMY 	C30H46N8O12S	742.2956	NA	PeJP	NA	NA
+PJ025564	PDYYW 	C38H42N6O10	742.2963	NA	PeJP	NA	NA
+PJ025565	PPMMMH 	C31H50N8O7S3	742.2965	NA	PeJP	NA	NA
+PJ025566	SSSSSSTT 	C26H46N8O17	742.2981	NA	PeJP	NA	NA
+C17682	Neoarctin A	C42H46O12	742.2989	NA	KEGG	NA	NA
+C17683	Neoarctin B	C42H46O12	742.2989	NA	KEGG	NA	NA
+MJ092780	Diarctigenin 	C42H46O12	742.298926	NA	MeJP	NA	NA
+MJ092781	Neoarctin A 	C42H46O12	742.298926	NA	MeJP	NA	NA
+MJ092782	Neoarctin B 	C42H46O12	742.298926	NA	MeJP	NA	NA
+PJ025567	SSSTCKM 	C27H50N8O12S2	742.299	NA	PeJP	NA	NA
+PJ025568	SNDDHR 	C27H42N12O13	742.2995	NA	PeJP	NA	NA
+PJ025569	PPTCYY 	C35H46N6O10S	742.2996	NA	PeJP	NA	NA
+PJ025570	CCKKMM 	C28H54N8O7S4	742.2999	NA	PeJP	NA	NA
+PJ025571	PCCQHR 	C28H46N12O8S2	742.3003	NA	PeJP	NA	NA
+PJ025572	TTTEEY 	C31H46N6O15	742.3021	NA	PeJP	NA	NA
+PJ025573	GLEMMY 	C32H50N6O10S2	742.303	NA	PeJP	NA	NA
+PJ025574	GSQEHW 	C32H42N10O11	742.3035	NA	PeJP	NA	NA
+PJ025575	SSCQRY 	C29H46N10O11S	742.3068	NA	PeJP	NA	NA
+PJ025576	GAAQEMH 	C29H46N10O11S	742.3069	NA	PeJP	NA	NA
+PJ025577	NNFYW 	C37H42N8O9	742.3075	NA	PeJP	NA	NA
+PJ025578	GSCKYW 	C34H46N8O9S	742.3109	NA	PeJP	NA	NA
+PJ025579	GSSSDKY 	C30H46N8O14	742.3134	NA	PeJP	NA	NA
+PJ025580	GNKMMY 	C31H50N8O9S2	742.3142	NA	PeJP	NA	NA
+PJ025581	GGGKMMY 	C31H50N8O9S2	742.3143	NA	PeJP	NA	NA
+PJ025582	SPEHHH 	C31H42N12O10	742.3147	NA	PeJP	NA	NA
+PJ025583	PMFYW 	C39H46N6O7S	742.3149	NA	PeJP	NA	NA
+PJ025584	APTEYY 	C35H46N6O12	742.3174	NA	PeJP	NA	NA
+PJ025585	GNEMHR 	C28H46N12O10S	742.3181	NA	PeJP	NA	NA
+PJ025586	LMMYW 	C36H50N6O7S2	742.3183	NA	PeJP	NA	NA
+PJ025587	SQHWW 	C36H42N10O8	742.3187	NA	PeJP	NA	NA
+MJ092783	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 5-Benzoyl, 7-(2-methylpropanoyl), 2,3,8,9-tetra-Ac 	C39H50O14	742.320056	NA	MeJP	NA	NA
+PJ025588	STLEMY 	C32H50N6O12S	742.3208	NA	PeJP	NA	NA
+PJ025589	ALMMMF 	C33H54N6O7S3	742.3216	NA	PeJP	NA	NA
+PJ025590	AAQMHW 	C33H46N10O8S	742.3221	NA	PeJP	NA	NA
+PJ025591	GSSSSRY 	C29H46N10O13	742.3246	NA	PeJP	NA	NA
+PJ025592	ACCKRY 	C30H50N10O8S2	742.3255	NA	PeJP	NA	NA
+PJ025593	ANQHHH 	C30H42N14O9	742.3259	NA	PeJP	NA	NA
+PJ025594	GQQHHH 	C30H42N14O9	742.326	NA	PeJP	NA	NA
+PJ025595	SPPQEW 	C34H46N8O11	742.3286	NA	PeJP	NA	NA
+PJ025596	GGGPPPDF 	C34H46N8O11	742.3287	NA	PeJP	NA	NA
+PJ025597	GCDHRR 	C27H46N14O9S	742.3293	NA	PeJP	NA	NA
+MJ092784	Patellamide A 	C35H50N8O6S2	742.329472	NA	MeJP	NA	NA
+C15734	Patellamide A	C35H50N8O6S2	742.3295	NA	KEGG	NA	NA
+3650	NA	YPFGFN~	742.3309	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ025598	SSQKMY 	C31H50N8O11S	742.332	NA	PeJP	NA	NA
+PJ025599	LDFYW 	C39H46N6O9	742.3326	NA	PeJP	NA	NA
+PJ025600	VEFYW 	C39H46N6O9	742.3327	NA	PeJP	NA	NA
+PJ025601	NMHRW 	C32H46N12O7S	742.3333	NA	PeJP	NA	NA
+PJ025602	GGMHRW 	C32H46N12O7S	742.3334	NA	PeJP	NA	NA
+PJ025603	SSQEHR 	C28H46N12O12	742.3358	NA	PeJP	NA	NA
+PJ025604	GGGGPNER 	C28H46N12O12	742.3359	NA	PeJP	NA	NA
+PJ025605	GPLMYY 	C36H50N6O9S	742.336	NA	PeJP	NA	NA
+PJ025606	PCCKHR 	C29H50N12O7S2	742.3367	NA	PeJP	NA	NA
+PJ025607	SVLMMY 	C33H54N6O9S2	742.3394	NA	PeJP	NA	NA
+PJ025608	GSKEHW 	C33H46N10O10	742.3399	NA	PeJP	NA	NA
+MJ092785	7,8-Epoxy-3,11,14-trihydroxy-12-oxocard-20(22)-enolide, 3-O-(Glucosyldigitaloside) 	C36H54O16	742.341185	NA	MeJP	NA	NA
+PJ025609	SSCKRY 	C30H50N10O10S	742.3432	NA	PeJP	NA	NA
+PJ025610	GGVDKMH 	C30H50N10O10S	742.3433	NA	PeJP	NA	NA
+PJ025611	GPPTWW 	C38H46N8O8	742.3439	NA	PeJP	NA	NA
+MJ092786	Disorazole B1 	C42H50N2O10	742.346545	NA	MeJP	NA	NA
+MJ092787	Isopyruthaline 	C42H50N2O10	742.346545	NA	MeJP	NA	NA
+MJ092788	Przewalstine; 5'-Hydroxy 	C42H50N2O10	742.346545	NA	MeJP	NA	NA
+MJ092789	Thalmineline 	C42H50N2O10	742.346545	NA	MeJP	NA	NA
+PJ025612	PPVNMW 	C35H50N8O8S	742.3473	NA	PeJP	NA	NA
+PJ025613	PFFFW 	C43H46N6O6	742.3479	NA	PeJP	NA	NA
+PJ025614	ASSSTKY 	C31H50N8O13	742.3497	NA	PeJP	NA	NA
+PJ025615	GSSTTKY 	C31H50N8O13	742.3498	NA	PeJP	NA	NA
+PJ025616	ACKKMY 	C32H54N8O8S2	742.3506	NA	PeJP	NA	NA
+PJ025617	GSTHRW 	C32H46N12O9	742.3511	NA	PeJP	NA	NA
+PJ025618	LMFFW 	C40H50N6O6S	742.3513	NA	PeJP	NA	NA
+PJ025619	GVLEYY 	C36H50N6O11	742.3538	NA	PeJP	NA	NA
+PJ025620	PPCDRR 	C29H50N12O9S	742.3545	NA	PeJP	NA	NA
+PJ025621	SKHWW 	C37H46N10O7	742.3551	NA	PeJP	NA	NA
+MJ092790	3,14-Dihydroxycard-20(22)-enolide, 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranoside] 	C40H54O13	742.356441	NA	MeJP	NA	NA
+PJ025622	GPPMRW 	C34H50N10O7S	742.3585	NA	PeJP	NA	NA
+PJ025623	PVNEER 	C30H50N10O12	742.361	NA	PeJP	NA	NA
+PJ025624	PCKKMH 	C31H54N10O7S2	742.3619	NA	PeJP	NA	NA
+PJ025625	GQKHHH 	C31H46N14O8	742.3623	NA	PeJP	NA	NA
+PJ025626	GGAKHHH 	C31H46N14O8	742.3624	NA	PeJP	NA	NA
+MJ092791	Hordatine B; 4'-?-D-Glucopyranoside 	C35H50N8O10	742.364989	NA	MeJP	NA	NA
+PJ025627	SPPKEW 	C35H50N8O10	742.365	NA	PeJP	NA	NA
+PJ025628	GSMHRR 	C28H50N14O8S	742.3657	NA	PeJP	NA	NA
+PJ025629	HHFFR 	C36H46N12O6	742.3664	NA	PeJP	NA	NA
+MJ092792	Andersonine 	C39H54N2O12	742.367675	NA	MeJP	NA	NA
+PJ025630	SSKKMY 	C32H54N8O10S	742.3684	NA	PeJP	NA	NA
+PJ025631	VLYYW 	C40H50N6O8	742.369	NA	PeJP	NA	NA
+PJ025632	GPEERR 	C29H50N12O11	742.3722	NA	PeJP	NA	NA
+PJ025633	GGGGPDKR 	C29H50N12O11	742.3723	NA	PeJP	NA	NA
+PJ025634	GLLMFY 	C37H54N6O8S	742.3724	NA	PeJP	NA	NA
+PJ025635	SPPTRW 	C34H50N10O9	742.3762	NA	PeJP	NA	NA
+PJ025636	GPVERW 	C34H50N10O9	742.3763	NA	PeJP	NA	NA
+MJ092793	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-glucopyranoside] 	C37H58O15	742.377571	NA	MeJP	NA	NA
+MJ092794	Aldgamycin E 	C37H58O15	742.377571	NA	MeJP	NA	NA
+PJ025637	PPDKMR 	C31H54N10O9S	742.3796	NA	PeJP	NA	NA
+PJ025638	AAPLWW 	C39H50N8O7	742.3803	NA	PeJP	NA	NA
+MJ092795	Disorazole A1; Deepoxy 	C43H54N2O9	742.382931	NA	MeJP	NA	NA
+PJ025639	SSTHRR 	C28H50N14O10	742.3835	NA	PeJP	NA	NA
+PJ025640	PPCLKW 	C36H54N8O7S	742.3837	NA	PeJP	NA	NA
+PJ025641	APPTTKE 	C32H54N8O12	742.3861	NA	PeJP	NA	NA
+PJ025642	PLQKEE 	C32H54N8O12	742.3862	NA	PeJP	NA	NA
+PJ025643	VLLMMH 	C33H58N8O7S2	742.387	NA	PeJP	NA	NA
+PJ025644	PERRW 	C33H50N12O8	742.3875	NA	PeJP	NA	NA
+PJ025645	ATLLYY 	C37H54N6O10	742.3902	NA	PeJP	NA	NA
+PJ025646	SPPMRR 	C30H54N12O8S	742.3909	NA	PeJP	NA	NA
+PJ025647	PVRWW 	C38H50N10O6	742.3915	NA	PeJP	NA	NA
+PJ025648	PVDKER 	C31H54N10O11	742.3974	NA	PeJP	NA	NA
+PJ025649	QHFRR 	C32H50N14O7	742.3987	NA	PeJP	NA	NA
+MJ092796	Stylostatin 1 	C36H54N8O9	742.401375	NA	MeJP	NA	NA
+PJ025650	APLKEW 	C36H54N8O9	742.4014	NA	PeJP	NA	NA
+PJ025651	GPPTLKM 	C33H58N8O9S	742.4048	NA	PeJP	NA	NA
+PJ025652	GLLFFF 	C41H54N6O7	742.4054	NA	PeJP	NA	NA
+PJ025653	SPVERR 	C30H54N12O10	742.4086	NA	PeJP	NA	NA
+PJ025654	APTLRW 	C35H54N10O8	742.4126	NA	PeJP	NA	NA
+PJ025655	GGAPKKW 	C35H54N10O8	742.4127	NA	PeJP	NA	NA
+MJ092797	8(14),15-Pimaradiene-3,12-diol, 3-O-[3-O-Methyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinofuranoside], 12-O-?-D-fucopyranoside 	C38H62O14	742.413956	NA	MeJP	NA	NA
+MJ092798	Spirostane-1,3,5-triol, 3-O-[?-D-Glucopyranosyl(1?2)-?-L-arabinopyranoside] 	C38H62O14	742.413956	NA	MeJP	NA	NA
+PJ025656	PVLQMR 	C32H58N10O8S	742.416	NA	PeJP	NA	NA
+PJ025657	GVQQRR 	C29H54N14O9	742.4199	NA	PeJP	NA	NA
+PJ025658	PLKKEE 	C33H58N8O11	742.4225	NA	PeJP	NA	NA
+PJ025659	GGAALLLE 	C33H58N8O11	742.4226	NA	PeJP	NA	NA
+PJ025660	APPFRR 	C34H54N12O7	742.4239	NA	PeJP	NA	NA
+PJ025661	APLMRR 	C31H58N12O7S	742.4273	NA	PeJP	NA	NA
+C11982	Avermectin A1a monosaccharide	C42H62O11	742.4292	NA	KEGG	NA	NA
+PJ025662	QQRRR 	C28H54N16O8	742.4311	NA	PeJP	NA	NA
+PJ025663	PTLKER 	C32H58N10O10	742.4338	NA	PeJP	NA	NA
+PJ025664	KHFRR 	C33H54N14O6	742.4351	NA	PeJP	NA	NA
+PJ025665	SPLLKW 	C37H58N8O8	742.4378	NA	PeJP	NA	NA
+PJ025666	AAPLLKM 	C34H62N8O8S	742.4412	NA	PeJP	NA	NA
+PJ025667	GLLERR 	C31H58N12O9	742.445	NA	PeJP	NA	NA
+PJ025668	GVLLRW 	C36H58N10O7	742.449	NA	PeJP	NA	NA
+MJ092799	16,22,26-Trihydroxycholestan-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H66O13	742.450342	NA	MeJP	NA	NA
+MJ092800	Cholest-22-ene-3,6,8,15,24-pentol, 24-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinopyranoside] 	C39H66O13	742.450342	NA	MeJP	NA	NA
+MJ092801	Cholest-5-ene-1,3,16,22-tetrol, 1-O-?-L-Rhamnopyranoside, 16-O-?-D-glucopyranoside 	C39H66O13	742.450342	NA	MeJP	NA	NA
+MJ092802	Cholest-5-ene-1,3,16,22-tetrol, 1-O-?-L-Rhamnopyranoside, 3-O-?-L-galactopyranoside 	C39H66O13	742.450342	NA	MeJP	NA	NA
+MJ092803	Cholest-5-ene-1,3,16,22-tetrol, 16-O-?-L-Rhamnopyranoside, 1-O-?-D-glucopyranoside 	C39H66O13	742.450342	NA	MeJP	NA	NA
+PJ025669	PVLKMR 	C33H62N10O7S	742.4524	NA	PeJP	NA	NA
+PJ025670	GVQKRR 	C30H58N14O8	742.4562	NA	PeJP	NA	NA
+PJ025671	GGGLKRR 	C30H58N14O8	742.4563	NA	PeJP	NA	NA
+PJ025672	LLLQKE 	C34H62N8O10	742.4589	NA	PeJP	NA	NA
+PJ025673	LLRRW 	C35H58N12O6	742.4603	NA	PeJP	NA	NA
+PJ025674	QKRRR 	C29H58N16O7	742.4675	NA	PeJP	NA	NA
+PJ025675	VVLKER 	C33H62N10O9	742.4702	NA	PeJP	NA	NA
+PJ025676	ALLLKW 	C38H62N8O7	742.4742	NA	PeJP	NA	NA
+HMDB10591	PG(16:1(9Z)/18:3(6Z,9Z,12Z))	C40H71O10P	742.478455	NA	HMDB2010	NA	NA
+HMDB10592	PG(16:1(9Z)/18:3(9Z,12Z,15Z))	C40H71O10P	742.478455	NA	HMDB2010	NA	NA
+HMDB10661	PG(18:3(6Z,9Z,12Z)/16:1(9Z))	C40H71O10P	742.478455	NA	HMDB2010	NA	NA
+HMDB10676	PG(18:3(9Z,12Z,15Z)/16:1(9Z))	C40H71O10P	742.478455	NA	HMDB2010	NA	NA
+MJ092804	Argimicin A 	C32H62N12O8	742.481357	NA	MeJP	NA	NA
+PJ025677	SVLLRR 	C32H62N12O8	742.4814	NA	PeJP	NA	NA
+PJ025678	GVKKRR 	C31H62N14O7	742.4926	NA	PeJP	NA	NA
+PJ025679	LLLKKE 	C35H66N8O9	742.4953	NA	PeJP	NA	NA
+MJ092805	Mycolactone A 	C44H70O9	742.501983	NA	MeJP	NA	NA
+C12151	Mycolactone	C44H70O9	742.502	NA	KEGG	NA	NA
+PJ025680	KKRRR 	C30H62N16O6	742.5039	NA	PeJP	NA	NA
+PJ025681	TLLLKR 	C34H66N10O8	742.5065	NA	PeJP	NA	NA
+C15935	(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)	C48H70O6	742.5172	NA	KEGG	NA	NA
+C15936	Magainin 2	C48H70O6	742.5172	NA	KEGG	NA	NA
+PJ025682	ALKKKR 	C33H66N12O7	742.5178	NA	PeJP	NA	NA
+PJ025683	VLKKKK 	C35H70N10O7	742.5429	NA	PeJP	NA	NA
+MJ092806	Manzamenone A 	C46H78O7	742.574754	NA	MeJP	NA	NA
+EUR1096	SM(d18:1/20:1) [M-H-CH3]-	C43H85N2O6P	742.598876	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1096	SM(d18:1/20:1) [M-H-CH3]-	C43H85N2O6P	742.598876	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1096	SM(d18:1/20:1) [M-H-CH3]-	C43H85N2O6P	742.598876	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1096	SM(d18:1/20:1) [M-H-CH3]-	C43H85N2O6P	742.598876	masses lipides attendues	Inhousejuil11	NA	NA
+8335	f(195-208) of alpha S1 casein	SDIPNPIGSENSEK	742.83985	MH2+	Inhouse_peptide	NA	peptide
+7435	coeliac toxic peptide	QLQPFPQQQLPY	742.8725	MH2+	Inhouse_peptide	NA	peptide
+3190	cystatin S (1-14)	SSSKEENRIIPGGI	742.88195	MH2+	Inhouse_peptide	NA	peptide
+5450	caeridin 3	GLFDAIGNLLGGLGLG	742.9024	MH2+	Inhouse_peptide	NA	peptide
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR308	Nicotinamide adénine di nucléotide phosphate F1	NA	743.073275	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR308	Nicotinamide adenine di nucleotide phosphate F1	NA	743.073275	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+MJ092807	Coenzyme II 	C21H28N7O17P3	743.075452	NA	MeJP	NA	NA
+PJ025684	GCCCDDE 	C24H37N7O14S3	743.1561	NA	PeJP	NA	NA
+FL7AAGGL0035	Delphinidin 3-(6''-O-4-malyl-glucosyl)-5-glucoside	C31H35O21	743.16708	592522-38-8	knapsack	NA	NA
+PJ025685	CCCDDW 	C28H37N7O11S3	743.1714	NA	PeJP	NA	NA
+PJ025686	SSCCDDD 	C24H37N7O16S2	743.1738	NA	PeJP	NA	NA
+PJ025687	SPCCCCE 	C25H41N7O11S4	743.1747	NA	PeJP	NA	NA
+FL7AACGL0033	Cyanidin 3-(6''-(E)-caffeylsambubioside)	C35H35O18	743.18233	169210-08-6	knapsack	NA	NA
+FL7AACGL0106	Cyanidin 3-(6''-(Z)-caffeylsambubioside)	C35H35O18	743.18233	169210-09-7	knapsack	NA	NA
+PJ025688	ACCCCNQ 	C24H41N9O10S4	743.1859	NA	PeJP	NA	NA
+PJ025689	GCCCNNM 	C24H41N9O10S4	743.186	NA	PeJP	NA	NA
+PJ025690	GSCCDEM 	C25H41N7O13S3	743.1925	NA	PeJP	NA	NA
+PJ025691	PCCCCCL 	C26H45N7O8S5	743.1933	NA	PeJP	NA	NA
+PJ025692	GPCCCMM 	C26H45N7O8S5	743.1934	NA	PeJP	NA	NA
+FL7AACGA0005	Cyanidin 3-glucosyl-(1->6)-[xylosyl-(1->2)-galactoside]	C32H39O20	743.20346	-	knapsack	NA	NA
+FL7AACGL0017	Cyanidin 3-sambubioside-5-glucoside	C32H39O20	743.20346	53925-33-0	knapsack	NA	NA
+FL7AAGGL0009	Delphinidin 3-(2G-xylosylrutinoside)	C32H39O20	743.20346	164739-17-7	knapsack	NA	NA
+C08612	Cyanidin 3-O-(6''-glucosyl-2''-xylosylgalactoside)	C32H39O20	743.2035	NA	KEGG	NA	NA
+PJ025693	SSCCCNQ 	C24H41N9O12S3	743.2037	NA	PeJP	NA	NA
+PJ025694	CNDDDY 	C28H37N7O15S	743.2069	NA	PeJP	NA	NA
+PJ025695	SCCDMW 	C29H41N7O10S3	743.2077	NA	PeJP	NA	NA
+PJ025696	SSSCDDM 	C25H41N7O15S2	743.2102	NA	PeJP	NA	NA
+PJ025697	CNDMMM 	C26H45N7O10S4	743.2111	NA	PeJP	NA	NA
+MetaCyc04090	dihydrostreptomycin 3'-&alpha;-6-bisphosphate []	C21H43N7O18P2	743.213981	NA	metacyc	NA	NA
+C01280	Dihydrostreptomycin 3'alpha,6-bisphosphate	C21H43N7O18P2	743.214	NA	KEGG	NA	NA
+C01281	[L-Glutamate:ammonia ligase (ADP-forming)]	C10H10N2O3R2	743.214	NA	KEGG	NA	NA
+C01282	1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine	C27H52NO8PR	743.214	NA	KEGG	NA	NA
+C04458	Dihydrostreptomycin 6,3''-bis-phosphate	C21H43N7O18P2	743.214	NA	KEGG	NA	NA
+C04459	Glucuronoxylan 4-O-methyl-D-glucuronate	C21H43N7O18P2	743.214	NA	KEGG	NA	NA
+PJ025698	GSSSSCCN 	C24H41N9O14S2	743.2215	NA	PeJP	NA	NA
+PJ025699	CCCEMR 	C25H45N9O9S4	743.2223	NA	PeJP	NA	NA
+PJ025700	GGACCCCK 	C25H45N9O9S4	743.2224	NA	PeJP	NA	NA
+PJ025701	GSPCCDY 	C29H41N7O12S2	743.2255	NA	PeJP	NA	NA
+PJ025702	ACCMMW 	C30H45N7O7S4	743.2264	NA	PeJP	NA	NA
+PJ025703	GSSCEMM 	C26H45N7O12S3	743.2289	NA	PeJP	NA	NA
+PJ025704	CCNMHH 	C27H41N11O8S3	743.2302	NA	PeJP	NA	NA
+PJ025705	NDDDEH 	C27H37N9O16	743.2359	NA	PeJP	NA	NA
+PJ025706	CCNNQY 	C28H41N9O11S2	743.2367	NA	PeJP	NA	NA
+PJ025707	SSCCCNK 	C25H45N9O11S3	743.2401	NA	PeJP	NA	NA
+PJ025708	ACCDFW 	C33H41N7O9S2	743.2407	NA	PeJP	NA	NA
+PJ025709	GCCEFW 	C33H41N7O9S2	743.2408	NA	PeJP	NA	NA
+PJ025710	SNDDMY 	C29H41N7O14S	743.2432	NA	PeJP	NA	NA
+PJ025711	GGSDDMY 	C29H41N7O14S	743.2433	NA	PeJP	NA	NA
+PJ025712	SSCMMW 	C30H45N7O9S3	743.2441	NA	PeJP	NA	NA
+PJ025713	SSSSDMM 	C26H45N7O14S2	743.2466	NA	PeJP	NA	NA
+PJ025714	SNMMMM 	C27H49N7O9S4	743.2475	NA	PeJP	NA	NA
+PJ025715	GSTCCHH 	C27H41N11O10S2	743.248	NA	PeJP	NA	NA
+PJ025716	GDDDHW 	C31H37N9O13	743.2511	NA	PeJP	NA	NA
+C06228	Ferrichrome	C27H45FeN9O12	743.2537	NA	KEGG	NA	NA
+PJ025717	GSSCNNY 	C28H41N9O13S	743.2545	NA	PeJP	NA	NA
+PJ025718	PCCCRY 	C29H45N9O8S3	743.2554	NA	PeJP	NA	NA
+PJ025719	CCFWW 	C37H41N7O6S2	743.256	NA	PeJP	NA	NA
+PJ025720	GSCEYW 	C33H41N7O11S	743.2585	NA	PeJP	NA	NA
+PJ025721	TCCMMR 	C26H49N9O8S4	743.2587	NA	PeJP	NA	NA
+PJ025722	GSSSDEY 	C29H41N7O16	743.261	NA	PeJP	NA	NA
+PJ025723	GNEMMY 	C30H45N7O11S2	743.2619	NA	PeJP	NA	NA
+PJ025724	GSSTMMM 	C27H49N7O11S3	743.2652	NA	PeJP	NA	NA
+PJ025725	SSSSCHH 	C27H41N11O12S	743.2657	NA	PeJP	NA	NA
+PJ025726	SPCDHW 	C32H41N9O10S	743.2697	NA	PeJP	NA	NA
+PJ025727	SNEEEH 	C28H41N9O15	743.2722	NA	PeJP	NA	NA
+PJ025728	GGSEEEH 	C28H41N9O15	743.2723	NA	PeJP	NA	NA
+PJ025729	GCDMRY 	C29H45N9O10S2	743.2731	NA	PeJP	NA	NA
+PJ025730	SCYWW 	C37H41N7O8S	743.2737	NA	PeJP	NA	NA
+PJ025731	SSSDYW 	C33H41N7O13	743.2763	NA	PeJP	NA	NA
+PJ025732	NMMYW 	C34H45N7O8S2	743.2771	NA	PeJP	NA	NA
+PJ025733	SSQEMY 	C30H45N7O13S	743.2796	NA	PeJP	NA	NA
+PJ025734	PCCKMY 	C31H49N7O8S3	743.2805	NA	PeJP	NA	NA
+PJ025735	GCNQHW 	C31H41N11O9S	743.281	NA	PeJP	NA	NA
+PJ025736	SSSTTMM 	C27H49N7O13S2	743.283	NA	PeJP	NA	NA
+PJ025737	SDDDHR 	C27H41N11O14	743.2835	NA	PeJP	NA	NA
+PJ025738	TCKMMM 	C28H53N7O8S4	743.2839	NA	PeJP	NA	NA
+PJ025739	PCCEHR 	C28H45N11O9S2	743.2844	NA	PeJP	NA	NA
+PJ025740	GSEEHW 	C32H41N9O12	743.2875	NA	PeJP	NA	NA
+PJ025741	APCMHW 	C33H45N9O7S2	743.2884	NA	PeJP	NA	NA
+PJ025742	SSCERY 	C29H45N9O12S	743.2909	NA	PeJP	NA	NA
+PJ025743	NDFYW 	C37H41N7O10	743.2915	NA	PeJP	NA	NA
+PJ025744	GCMMFR 	C30H49N9O7S3	743.2917	NA	PeJP	NA	NA
+PJ025745	PCNHHH 	C30H41N13O8S	743.2922	NA	PeJP	NA	NA
+MJ092808	Lissoclinamide 4; 18?,19-Dihydro 	C38H45N7O5S2	743.292358	NA	MeJP	NA	NA
+PJ025746	GSTMYW 	C34H45N7O10S	743.2949	NA	PeJP	NA	NA
+PJ025747	GSSTTEY 	C30H45N7O15	743.2974	NA	PeJP	NA	NA
+MJ092809	3-(Methylthio)rifamycin 	C38H49NO12S	743.297546	NA	MeJP	NA	NA
+MJ092810	Awamycin 	C38H49NO12S	743.297546	NA	MeJP	NA	NA
+PJ025748	ATQMMY 	C31H49N7O10S2	743.2982	NA	PeJP	NA	NA
+PJ025749	GDKMMY 	C31H49N7O10S2	743.2983	NA	PeJP	NA	NA
+PJ025750	SSNNHW 	C31H41N11O11	743.2987	NA	PeJP	NA	NA
+PJ025751	GDEMHR 	C28H45N11O11S	743.3021	NA	PeJP	NA	NA
+PJ025752	SEHWW 	C36H41N9O9	743.3027	NA	PeJP	NA	NA
+PJ025753	AAEMHW 	C33H45N9O9S	743.3061	NA	PeJP	NA	NA
+PJ025754	SDKEEH 	C29H45N9O14	743.3086	NA	PeJP	NA	NA
+PJ025755	GGGGGPVDE 	C29H45N9O14	743.3087	NA	PeJP	NA	NA
+PJ025756	GSMMRY 	C30H49N9O9S2	743.3095	NA	PeJP	NA	NA
+PJ025757	GQEHHH 	C30H41N13O10	743.31	NA	PeJP	NA	NA
+PJ025758	NMFFW 	C38H45N7O7S	743.3101	NA	PeJP	NA	NA
+PJ025759	GGMFFW 	C38H45N7O7S	743.3102	NA	PeJP	NA	NA
+PJ025760	SSTTYW 	C34H45N7O12	743.3126	NA	PeJP	NA	NA
+PJ025761	SPPEEW 	C34H45N7O12	743.3127	NA	PeJP	NA	NA
+PJ025762	SCNQHR 	C27H45N13O10S	743.3133	NA	PeJP	NA	NA
+PJ025763	GGGGTCHR 	C27H45N13O10S	743.3134	NA	PeJP	NA	NA
+PJ025764	PCCKFF 	C35H49N7O7S2	743.3135	NA	PeJP	NA	NA
+3695	NA	YPFGFGG	743.314	ACE inhibitor	Inhouse_peptide	NA	peptide
+3602	NA	YPFGFD~	743.3149	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ025765	SSKEMY 	C31H49N7O12S	743.316	NA	PeJP	NA	NA
+PJ025766	GKMMMF 	C32H53N7O7S3	743.3169	NA	PeJP	NA	NA
+PJ025767	DMHRW 	C32H45N11O8S	743.3174	NA	PeJP	NA	NA
+MJ092811	Streptomycin B 	C27H49N7O17	743.318493	NA	MeJP	NA	NA
+PJ025768	ASSSQQH 	C28H45N11O13	743.3198	NA	PeJP	NA	NA
+PJ025769	SSEEHR 	C28H45N11O13	743.3199	NA	PeJP	NA	NA
+PJ025770	PTCMHR 	C29H49N11O8S2	743.3207	NA	PeJP	NA	NA
+PJ025771	CLHWW 	C37H45N9O6S	743.3214	NA	PeJP	NA	NA
+PJ025772	ATTEHW 	C33H45N9O11	743.3239	NA	PeJP	NA	NA
+PJ025773	QHHHW 	C34H41N13O7	743.3252	NA	PeJP	NA	NA
+PJ025774	SSTMRY 	C30H49N9O11S	743.3272	NA	PeJP	NA	NA
+PJ025775	PPDEMR 	C30H49N9O11S	743.3273	NA	PeJP	NA	NA
+PJ025776	VNYYW 	C38H45N7O9	743.3279	NA	PeJP	NA	NA
+PJ025777	GSSSNHR 	C27H45N13O12	743.3311	NA	PeJP	NA	NA
+PJ025778	PPVDMW 	C35H49N7O9S	743.3313	NA	PeJP	NA	NA
+PJ025779	SSSSTLY 	C31H49N7O14	743.3338	NA	PeJP	NA	NA
+PJ025780	ATKMMY 	C32H53N7O9S2	743.3346	NA	PeJP	NA	NA
+PJ025781	PPPVTCM 	C32H53N7O9S2	743.3347	NA	PeJP	NA	NA
+PJ025782	GPNDRW 	C32H45N11O10	743.3351	NA	PeJP	NA	NA
+PJ025783	ATEMHR 	C29H49N11O10S	743.3385	NA	PeJP	NA	NA
+PJ025784	PQQWW 	C37H45N9O8	743.3391	NA	PeJP	NA	NA
+MJ092812	Pseudotheonamide B2 	C37H45N9O8	743.339109	NA	MeJP	NA	NA
+PJ025785	GGAAPWW 	C37H45N9O8	743.3392	NA	PeJP	NA	NA
+PJ025786	GTLMHW 	C34H49N9O8S	743.3425	NA	PeJP	NA	NA
+PJ025787	HFFFF 	C42H45N7O6	743.3432	NA	PeJP	NA	NA
+PJ025788	PVDEER 	C30H49N9O13	743.345	NA	PeJP	NA	NA
+PJ025789	PTKMMH 	C31H53N9O8S2	743.3459	NA	PeJP	NA	NA
+PJ025790	SVQHHH 	C31H45N13O9	743.3463	NA	PeJP	NA	NA
+PJ025791	GNNHFR 	C31H45N13O9	743.3464	NA	PeJP	NA	NA
+PJ025792	APLEEW 	C35H49N7O11	743.349	NA	PeJP	NA	NA
+PJ025793	SCNKHR 	C28H49N13O9S	743.3497	NA	PeJP	NA	NA
+PJ025794	APPHHW 	C36H45N11O7	743.3504	NA	PeJP	NA	NA
+PJ025795	TTTKMY 	C32H53N7O11S	743.3524	NA	PeJP	NA	NA
+PJ025796	CFRRY 	C33H49N11O7S	743.3537	NA	PeJP	NA	NA
+PJ025797	GPMHFR 	C33H49N11O7S	743.3538	NA	PeJP	NA	NA
+PJ025798	TTTEHR 	C29H49N11O12	743.3562	NA	PeJP	NA	NA
+PJ025799	GGGAPTER 	C29H49N11O12	743.3563	NA	PeJP	NA	NA
+PJ025800	GLMMHR 	C30H53N11O7S2	743.3571	NA	PeJP	NA	NA
+PJ025801	GTHHHR 	C30H45N15O8	743.3576	NA	PeJP	NA	NA
+PJ025802	STTLHW 	C34H49N9O10	743.3603	NA	PeJP	NA	NA
+PJ025803	KHHHW 	C35H45N13O6	743.3616	NA	PeJP	NA	NA
+PJ025804	SLKEMH 	C31H53N9O10S	743.3636	NA	PeJP	NA	NA
+PJ025805	GGGPPTKM 	C31H53N9O10S	743.3637	NA	PeJP	NA	NA
+PJ025806	TKFYW 	C39H49N7O8	743.3643	NA	PeJP	NA	NA
+7436	coeliac toxic peptide	QLQPFPQQELPY	743.3645	MH2+	Inhouse_peptide	NA	peptide
+PJ025807	SPNDRR 	C28H49N13O11	743.3675	NA	PeJP	NA	NA
+PJ025808	PPTLMW 	C36H53N7O8S	743.3677	NA	PeJP	NA	NA
+PJ025809	PLKEEE 	C32H53N7O13	743.3702	NA	PeJP	NA	NA
+PJ025810	GPPVLMM 	C33H57N7O8S2	743.371	NA	PeJP	NA	NA
+PJ025811	GPTQRW 	C33H49N11O9	743.3715	NA	PeJP	NA	NA
+PJ025812	STLMHR 	C30H53N11O9S	743.3749	NA	PeJP	NA	NA
+PJ025813	PQKWW 	C38H49N9O7	743.3755	NA	PeJP	NA	NA
+PJ025814	GNNQRR 	C27H49N15O10	743.3787	NA	PeJP	NA	NA
+PJ025815	KMFRY 	C35H53N9O7S	743.3789	NA	PeJP	NA	NA
+PJ025816	PTLEER 	C31H53N9O12	743.3814	NA	PeJP	NA	NA
+PJ025817	PPLMMR 	C32H57N9O7S2	743.3823	NA	PeJP	NA	NA
+PJ025818	EHFRR 	C32H49N13O8	743.3827	NA	PeJP	NA	NA
+PJ025819	SPLLEW 	C36H53N7O10	743.3854	NA	PeJP	NA	NA
+PJ025820	GPQMRR 	C29H53N13O8S	743.3861	NA	PeJP	NA	NA
+PJ025821	VHFRW 	C37H49N11O6	743.3868	NA	PeJP	NA	NA
+MJ092813	Lituarine C; 5-Ac 	C40H57NO12	743.388076	NA	MeJP	NA	NA
+PJ025822	AAPLLEM 	C33H57N7O10S	743.3888	NA	PeJP	NA	NA
+PJ025823	SPQKER 	C30H53N11O11	743.3926	NA	PeJP	NA	NA
+PJ025824	GGGGVLER 	C30H53N11O11	743.3927	NA	PeJP	NA	NA
+3581	NA	FRHSVV	743.395	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ025825	AVLQQW 	C35H53N9O9	743.3966	NA	PeJP	NA	NA
+PJ025826	GPKKEW 	C35H53N9O9	743.3967	NA	PeJP	NA	NA
+PJ025827	GPCRRR 	C28H53N15O7S	743.3974	NA	PeJP	NA	NA
+PJ025828	PVLEMR 	C32H57N9O9S	743.4	NA	PeJP	NA	NA
+PJ025829	PPVVFW 	C40H53N7O7	743.4007	NA	PeJP	NA	NA
+PJ025830	GVQERR 	C29H53N13O10	743.4039	NA	PeJP	NA	NA
+PJ025831	PVVLMW 	C37H57N7O7S	743.4041	NA	PeJP	NA	NA
+PJ025832	APTTLLE 	C33H57N7O12	743.4065	NA	PeJP	NA	NA
+PJ025833	LLLQEE 	C33H57N7O12	743.4066	NA	PeJP	NA	NA
+PJ025834	GPTKRW 	C34H53N11O8	743.4079	NA	PeJP	NA	NA
+C12003	Demethyllactenocin	C37H61NO14	743.4092	NA	KEGG	NA	NA
+C14062	Leucomycin A9	C37H61NO14	743.4092	NA	KEGG	NA	NA
+MJ092814	Antibiotic PA 153 	C37H61NO14	743.409205	NA	MeJP	NA	NA
+MJ092815	Leucomycin A9 	C37H61NO14	743.409205	NA	MeJP	NA	NA
+MJ092816	Leucomycin V; O3-Ac 	C37H61NO14	743.409205	NA	MeJP	NA	NA
+MJ092817	Tylosin B; 2C,3C-Di-O-de-Me 	C37H61NO14	743.409205	NA	MeJP	NA	NA
+MJ092818	Formobactin 	C38H57N5O10	743.410543	NA	MeJP	NA	NA
+PJ025835	PVNKMR 	C31H57N11O8S	743.4113	NA	PeJP	NA	NA
+PJ025836	PKKWW 	C39H53N9O6	743.4119	NA	PeJP	NA	NA
+PJ025837	QERRR 	C28H53N15O9	743.4151	NA	PeJP	NA	NA
+PJ025838	VVLEER 	C32H57N9O11	743.4178	NA	PeJP	NA	NA
+PJ025839	VQRRW 	C33H53N13O7	743.4191	NA	PeJP	NA	NA
+PJ025840	ALLLEW 	C37H57N7O9	743.4218	NA	PeJP	NA	NA
+PJ025841	GPKMRR 	C30H57N13O7S	743.4225	NA	PeJP	NA	NA
+PJ025842	GPTLLLM 	C34H61N7O9S	743.4252	NA	PeJP	NA	NA
+PJ025843	SPKKER 	C31H57N11O10	743.429	NA	PeJP	NA	NA
+PJ025844	ARRRW 	C32H53N15O6	743.4304	NA	PeJP	NA	NA
+PJ025845	SPVKKW 	C36H57N9O8	743.433	NA	PeJP	NA	NA
+PJ025846	GGAILKW 	C36H57N9O8	743.4331	NA	PeJP	NA	NA
+PJ025847	PLQKKM 	C33H61N9O8S	743.4364	NA	PeJP	NA	NA
+PJ025848	ANQKKR 	C30H57N13O9	743.4402	NA	PeJP	NA	NA
+PJ025849	GVKERR 	C30H57N13O9	743.4403	NA	PeJP	NA	NA
+PJ025850	LLLKEE 	C34H61N7O11	743.4429	NA	PeJP	NA	NA
+PJ025851	AALKRW 	C35H57N11O7	743.4443	NA	PeJP	NA	NA
+MJ092819	Tylosin; 23-O-Deglycosyl, 20-alcohol 	C38H65NO13	743.445591	NA	MeJP	NA	NA
+PJ025852	PCLKKR 	C32H61N11O7S	743.4476	NA	PeJP	NA	NA
+PJ025853	KERRR 	C29H57N15O8	743.4515	NA	PeJP	NA	NA
+PJ025854	TLLLER 	C33H61N9O10	743.4542	NA	PeJP	NA	NA
+PJ025855	VKRRW 	C34H57N13O6	743.4555	NA	PeJP	NA	NA
+PJ025856	SLLLLW 	C38H61N7O8	743.4582	NA	PeJP	NA	NA
+PJ025857	AALLLLM 	C35H65N7O8S	743.4616	NA	PeJP	NA	NA
+PJ025858	TRRRR 	C28H57N17O7	743.4627	NA	PeJP	NA	NA
+PJ025859	ALKKER 	C32H61N11O9	743.4654	NA	PeJP	NA	NA
+PJ025860	GLLKKW 	C37H61N9O7	743.4694	NA	PeJP	NA	NA
+PJ025861	VLLLMR 	C34H65N9O7S	743.4728	NA	PeJP	NA	NA
+PJ025862	ATLKRR 	C31H61N13O8	743.4766	NA	PeJP	NA	NA
+PJ025863	ATTLLLL 	C35H65N7O10	743.4793	NA	PeJP	NA	NA
+C09609	Pilocereine	C45H65N3O6	743.4873	NA	KEGG	NA	NA
+MJ092820	Pilocereine 	C45H65N3O6	743.487336	NA	MeJP	NA	NA
+PJ025864	VLKKKE 	C34H65N9O9	743.4906	NA	PeJP	NA	NA
+PJ025865	SLLKKR 	C33H65N11O8	743.5018	NA	PeJP	NA	NA
+MJ092821	Pseudoargiopinin; Pseudoargiopinin I 	C36H63N12O5	743.504438	NA	MeJP	NA	NA
+PJ025866	GKKKKR 	C32H65N13O7	743.513	NA	PeJP	NA	NA
+EUR696	PC(34:2) [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR946	PC 34:2 [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR696	PC(34:2) [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR946	PC 34:2 [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR696	PC(34:2) [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR946	PC 34:2 [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR696	PC(34:2) [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	Inhousejuil11	NA	NA
+EUR946	PC 34:2 [M-H-CH3]-	C42H80NO8P	743.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07940	PC(15:0/18:2(9Z,12Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB08132	PC(18:2(9Z,12Z)/15:0)	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB08843	PE(14:0/22:2(13Z,16Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB08875	PE(14:1(9Z)/22:1(13Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB08934	PE(16:0/20:2(11Z,14Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB08966	PE(16:1(9Z)/20:1(11Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB08994	PE(18:0/18:2(9Z,12Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09025	PE(18:1(11Z)/18:1(11Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09026	PE(18:1(11Z)/18:1(9Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09058	PE(18:1(9Z)/18:1(11Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09059	PE(18:1(9Z)/18:1(9Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09090	PE(18:2(9Z,12Z)/18:0)	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09254	PE(20:1(11Z)/16:1(9Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09286	PE(20:2(11Z,14Z)/16:0)	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09515	PE(22:1(13Z)/14:1(9Z))	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB09547	PE(22:2(13Z,16Z)/14:0)	C41H78NO8P	743.546509	NA	HMDB2010	NA	NA
+HMDB00584	Dioleoylphosphatidylethanolamine	C41H78NO8P	743.54651	http://www.hmdb.ca/metabolites/HMDB00584	HMDB	NA	NA
+HMDB05332	GPEtn(18:0/18:2(9Z,12Z))[U]	C41H78NO8P	743.54651	http://www.hmdb.ca/metabolites/HMDB05332	HMDB	NA	NA
+HMDB05343	GPEtn(18:1(11Z)/18:1(9Z))[U]	C41H78NO8P	743.54651	http://www.hmdb.ca/metabolites/HMDB05343	HMDB	NA	NA
+HMDB05347	GPEtn(18:1(9Z)/18:1(9Z))[U]	C41H78NO8P	743.54651	http://www.hmdb.ca/metabolites/HMDB05347	HMDB	NA	NA
+HMDB00584	Dioleoylphosphatidylethanolamine	C41H78NO8P	743.54651	HMDB00584	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05332	GPEtn(18:0/18:2(9Z,12Z))[U]	C41H78NO8P	743.54651	HMDB05332	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05343	GPEtn(18:1(11Z)/18:1(9Z))[U]	C41H78NO8P	743.54651	HMDB05343	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05347	GPEtn(18:1(9Z)/18:1(9Z))[U]	C41H78NO8P	743.54651	HMDB05347	PFEM_hmdb_metabocards_official	NA	NA
+MJ092822	2-Amino-9-methyl-4,7-octadecadiene-1,3,9-triol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C41H77NO10	743.554747	NA	MeJP	NA	NA
+MJ092823	2-Amino-9-methylene-4-octadecene-1,3,8-triol, N-(2R-Hydroxyhexadecanoyl), 1-O-?-D-glucopyranoside 	C41H77NO10	743.554747	NA	MeJP	NA	NA
+HMDB07996	PC(16:0/P-18:1(11Z))	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB07997	PC(16:0/P-18:1(9Z))	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB08028	PC(16:1(9Z)/P-18:0)	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB08093	PC(18:1(11Z)/P-16:0)	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB08126	PC(18:1(9Z)/P-16:0)	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB11151	PC(O-16:0/18:2(9Z,12Z))	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB11209	PC(P-16:0/18:1(11Z))	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB11210	PC(P-16:0/18:1(9Z))	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB11240	PC(P-18:0/16:1(9Z))	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB11272	PC(P-18:1(11Z)/16:0)	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB11305	PC(P-18:1(9Z)/16:0)	C42H82NO7P	743.582886	NA	HMDB2010	NA	NA
+HMDB00770	N-Glycoloylganglioside GM2	C43H85NO8	743.6275	http://www.hmdb.ca/metabolites/HMDB00770	HMDB	NA	NA
+HMDB00770	N-Glycoloylganglioside GM2	C43H85NO8	743.6275	HMDB00770	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00770	N-Glycoloylganglioside GM2	C43H85NO8	743.627502	NA	HMDB2010	NA	NA
+MJ092824	Gluconic acid, Antimonic acid diester, tri-Na salt 	C12H17Na3O17Sb2	743.823519	NA	MeJP	NA	NA
+MJ092825	Verticillin C 	C30H28N6O7S5	744.0623	NA	MeJP	NA	NA
+HMDB00217	NADP	C21H29N7O17P3	744.08325	http://www.hmdb.ca/metabolites/HMDB00217	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00217	NADP	C21H29N7O17P3	744.08325	http://www.hmdb.ca/metabolites/HMDB00217	HMDB	NA	NA
+HMDB00217	NADP	C21H29N7O17P3	744.08325	http://www.hmdb.ca/metabolites/HMDB00217	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00217	NADP	C21H29N7O17P3	744.08325	HMDB00217	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00217	NADP	C21H29N7O17P3	744.083252	NA	HMDB2010	NA	NA
+MJ092826	NADP+ 	C21H29N7O17P3	744.083277	NA	MeJP	NA	NA
+MetaCyc04091	NADP+ [coenzyme II;triphosphopyridine nucleotide;nicotinamide adenine dinucleotide phosphate;NADP-oxidized;NADP-ox;NADP+;TPN;TPN+;TPN-ox;nicotinamide adenine dinucleotide-P;NADP(+);NADP;]	C21H29N7O17P3	744.083277	53-59-8	metacyc	NA	NA
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	HMDB	NA	NA
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	Inhouse_PFEM	NA	NA
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR059	Nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.083287	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR059	nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.0833	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR059	nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.0833	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR059	nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.0833	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR059	nicotinamide adenine dinucleotide phosphate	C21H29N7O17P3	744.0833	Wishlist	Inhousejuil11	NA	NA
+C00006	NADP+	C21H29N7O17P3	744.0833	NA	KEGG	NA	NA
+MJ092827	Whyteone 	C44H24O12	744.126776	NA	MeJP	NA	NA
+MJ092828	Clathridine A; Zn complex 	C32H28N10O8Zn	744.138304	NA	MeJP	NA	NA
+PJ025867	PCCCCCN 	C24H40N8O9S5	744.1522	NA	PeJP	NA	NA
+PJ025868	GCCCNDM 	C24H40N8O11S4	744.17	NA	PeJP	NA	NA
+MJ092829	Aqua[5,8-bis(carboxymethyl)-3-oxo-11-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-phenyl-2,5,8,1-tetrazatridecan-13-oato(3-)]gadolinium 	C28H36GdN5O9	744.175403	NA	MeJP	NA	NA
+PJ025869	CCCCQW 	C28H40N8O8S4	744.1852	NA	PeJP	NA	NA
+PJ025870	SSCCCNE 	C24H40N8O13S3	744.1877	NA	PeJP	NA	NA
+PJ025871	CDDDDY 	C28H36N6O16S	744.1909	NA	PeJP	NA	NA
+PJ025872	CDDMMM 	C26H44N6O11S4	744.1951	NA	PeJP	NA	NA
+PJ025873	GSSCCCW 	C28H40N8O10S3	744.203	NA	PeJP	NA	NA
+MJ092830	Paulomycin D 	C31H40N2O17S	744.204768	NA	MeJP	NA	NA
+PJ025874	GSSSSCCD 	C24H40N8O15S2	744.2055	NA	PeJP	NA	NA
+PJ025875	GSCCNMM 	C25H44N8O10S4	744.2063	NA	PeJP	NA	NA
+PJ025876	GGGSCCMM 	C25H44N8O10S4	744.2064	NA	PeJP	NA	NA
+PJ025877	CDDDMF 	C29H40N6O13S2	744.2095	NA	PeJP	NA	NA
+PJ025878	CCDMHH 	C27H40N10O9S3	744.2142	NA	PeJP	NA	NA
+PJ025879	GTCCCCR 	C24H44N10O9S4	744.2176	NA	PeJP	NA	NA
+PJ025880	DDDDEH 	C27H36N8O17	744.2199	NA	PeJP	NA	NA
+PJ025881	CCNNEY 	C28H40N8O12S2	744.2207	NA	PeJP	NA	NA
+PJ025882	GGGGCCEY 	C28H40N8O12S2	744.2208	NA	PeJP	NA	NA
+PJ025883	CCCCKW 	C29H44N8O7S4	744.2216	NA	PeJP	NA	NA
+PJ025884	SSSCCQM 	C25H44N8O12S3	744.2241	NA	PeJP	NA	NA
+PJ025885	SDDDMY 	C29H40N6O15S	744.2273	NA	PeJP	NA	NA
+PJ025886	PCCEMY 	C30H44N6O10S3	744.2281	NA	PeJP	NA	NA
+PJ025887	SDMMMM 	C27H48N6O10S4	744.2315	NA	PeJP	NA	NA
+PJ025888	GPCCNDH 	C27H40N10O11S2	744.232	NA	PeJP	NA	NA
+PJ025889	SSSCCCR 	C24H44N10O11S3	744.2353	NA	PeJP	NA	NA
+PJ025890	GCCNYW 	C32H40N8O9S2	744.236	NA	PeJP	NA	NA
+PJ025891	GSSCNDY 	C28H40N8O14S	744.2385	NA	PeJP	NA	NA
+PJ025892	CCNQMF 	C29H44N8O9S3	744.2394	NA	PeJP	NA	NA
+PJ025893	GSSSSSCM 	C25H44N8O14S2	744.2419	NA	PeJP	NA	NA
+PJ025894	GTCCCKM 	C26H48N8O9S4	744.2427	NA	PeJP	NA	NA
+PJ025895	GDEMMY 	C30H44N6O12S2	744.2459	NA	PeJP	NA	NA
+MJ092831	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[3-(3,4-Dihydroxyphenyl)propanoyl-(?4)-[?-D-apiofuranosyl-(?3)]-[?-D-apiofuranosyl-(?6)]-?-D-glucopyranoside] 	C33H44O19	744.247679	NA	MeJP	NA	NA
+PJ025896	NNDDMH 	C27H40N10O13S	744.2497	NA	PeJP	NA	NA
+PJ025897	GGGGDDMH 	C27H40N10O13S	744.2498	NA	PeJP	NA	NA
+PJ025898	AMMMMM 	C28H52N6O7S5	744.2501	NA	PeJP	NA	NA
+PJ025899	CCCNFR 	C28H44N10O8S3	744.2506	NA	PeJP	NA	NA
+PJ025900	SDEEEH 	C28H40N8O16	744.2563	NA	PeJP	NA	NA
+PJ025901	SCNQMY 	C29H44N8O11S2	744.2571	NA	PeJP	NA	NA
+PJ025902	SSSSSSTC 	C25H44N8O16S	744.2596	NA	PeJP	NA	NA
+PJ025903	GDDEFY 	C33H40N6O14	744.2603	NA	PeJP	NA	NA
+PJ025904	SSSCCKM 	C26H48N8O11S3	744.2605	NA	PeJP	NA	NA
+PJ025905	GSCNNNH 	C26H40N12O12S	744.261	NA	PeJP	NA	NA
+PJ025906	DMMYW 	C34H44N6O9S2	744.2611	NA	PeJP	NA	NA
+PJ025907	PCCEFF 	C34H44N6O9S2	744.2612	NA	PeJP	NA	NA
+PJ025908	SSEEMY 	C30H44N6O14S	744.2636	NA	PeJP	NA	NA
+PJ025909	PTCMMY 	C31H48N6O9S3	744.2645	NA	PeJP	NA	NA
+PJ025910	GCNEHW 	C31H40N10O10S	744.265	NA	PeJP	NA	NA
+PJ025911	GSSNDEH 	C27H40N10O15	744.2675	NA	PeJP	NA	NA
+PJ025912	TTMMMM 	C28H52N6O9S4	744.2679	NA	PeJP	NA	NA
+PJ025913	SCCNRY 	C28H44N10O10S2	744.2683	NA	PeJP	NA	NA
+PJ025914	GGSCCRY 	C28H44N10O10S2	744.2684	NA	PeJP	NA	NA
+PJ025915	GNNDYY 	C32H40N8O13	744.2715	NA	PeJP	NA	NA
+PJ025916	GSSSNMY 	C29H44N8O13S	744.2749	NA	PeJP	NA	NA
+PJ025917	DDFYW 	C37H40N6O11	744.2755	NA	PeJP	NA	NA
+PJ025918	CCNKMF 	C30H48N8O8S3	744.2758	NA	PeJP	NA	NA
+PJ025919	PCDHHH 	C30H40N12O9S	744.2762	NA	PeJP	NA	NA
+PJ025920	GPDMYY 	C34H44N6O11S	744.2789	NA	PeJP	NA	NA
+PJ025921	MMMFW 	C35H48N6O6S3	744.2798	NA	PeJP	NA	NA
+PJ025922	CNHWW 	C35H40N10O7S	744.2802	NA	PeJP	NA	NA
+PJ025923	GGCHWW 	C35H40N10O7S	744.2803	NA	PeJP	NA	NA
+PJ025924	ATEMMY 	C31H48N6O11S2	744.2823	NA	PeJP	NA	NA
+PJ025925	SSNDHW 	C31H40N10O12	744.2827	NA	PeJP	NA	NA
+PJ025926	GGSSDHW 	C31H40N10O12	744.2828	NA	PeJP	NA	NA
+PJ025927	ACMHHF 	C32H44N10O7S2	744.2836	NA	PeJP	NA	NA
+MJ092832	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 4,9'-di-O-?-D-glucopyranoside 	C34H48O18	744.284064	NA	MeJP	NA	NA
+MJ092833	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C34H48O18	744.284064	NA	MeJP	NA	NA
+MJ092834	3,3',4,4',5,5',9-Heptahydroxy-7,9'-epoxylignan, 3,3',5,5'-Tetra-Me ether, 4,4'-di-O-?-D-glucopyranoside 	C34H48O18	744.284064	NA	MeJP	NA	NA
+MJ092835	3,3',4,4',5,5',9-Heptahydroxy-9,9'-epoxy-7,7'-lignan, 3,3',5,5'-Tetra-Me ether, 4,4'-di-O-?-D-glucopyranoside 	C34H48O18	744.284064	NA	MeJP	NA	NA
+PJ025928	SNQEMH 	C28H44N10O12S	744.2861	NA	PeJP	NA	NA
+PJ025929	PPCNEW 	C33H44N8O10S	744.2901	NA	PeJP	NA	NA
+PJ025930	GGGGGMFY 	C33H44N8O10S	744.2902	NA	PeJP	NA	NA
+PJ025931	SSSSSQY 	C29H44N8O15	744.2926	NA	PeJP	NA	NA
+PJ025932	GGGAPEEE 	C29H44N8O15	744.2927	NA	PeJP	NA	NA
+PJ025933	SCNKMY 	C30H48N8O10S2	744.2935	NA	PeJP	NA	NA
+PJ025934	GEEHHH 	C30H40N12O11	744.294	NA	PeJP	NA	NA
+PJ025935	DMFFW 	C38H44N6O8S	744.2942	NA	PeJP	NA	NA
+PJ025936	AAEEYY 	C34H44N6O13	744.2967	NA	PeJP	NA	NA
+PJ025937	SCNEHR 	C27H44N12O11S	744.2973	NA	PeJP	NA	NA
+PJ025938	GGSCEHR 	C27H44N12O11S	744.2974	NA	PeJP	NA	NA
+PJ025939	GPMMFY 	C35H48N6O8S2	744.2975	NA	PeJP	NA	NA
+MJ092836	Meliatoxin A2; 12?-Acetoxy, 7-Ac 	C38H48O15	744.29932	NA	MeJP	NA	NA
+MJ092837	Trichilin B; 29-Deacyl, 29-(2-methylpropanoyl), 1,12-di-Ac 	C38H48O15	744.29932	NA	MeJP	NA	NA
+PJ025940	TTTEMY 	C31H48N6O13S	744.3	NA	PeJP	NA	NA
+PJ025941	GLMMMY 	C32H52N6O8S3	744.3009	NA	PeJP	NA	NA
+PJ025942	GSQMHW 	C32H44N10O9S	744.3014	NA	PeJP	NA	NA
+PJ025943	PNDDER 	C28H44N10O14	744.3039	NA	PeJP	NA	NA
+PJ025944	AQQMMH 	C29H48N10O9S2	744.3047	NA	PeJP	NA	NA
+PJ025945	GGVNMMH 	C29H48N10O9S2	744.3048	NA	PeJP	NA	NA
+PJ025946	SNNHHH 	C29H40N14O10	744.3052	NA	PeJP	NA	NA
+PJ025947	GPPCWW 	C37H44N8O7S	744.3054	NA	PeJP	NA	NA
+PJ025948	GPQEEW 	C33H44N8O12	744.3079	NA	PeJP	NA	NA
+PJ025949	EHHHW 	C34H40N12O8	744.3092	NA	PeJP	NA	NA
+PJ025950	GSSTCKY 	C30H48N8O12S	744.3113	NA	PeJP	NA	NA
+PJ025951	VDYYW 	C38H44N6O10	744.3119	NA	PeJP	NA	NA
+PJ025952	PVMMMH 	C31H52N8O7S3	744.3121	NA	PeJP	NA	NA
+PJ025953	GSCHRW 	C31H44N12O8S	744.3126	NA	PeJP	NA	NA
+MJ092838	11(15?1)-Abeo-4(20),11-taxadiene-2,5,7,9,10,13,15-heptol, 13-Cinnamoyl, 10-benzoyl, 2,7,9-tri-Ac 	C42H48O12	744.314577	NA	MeJP	NA	NA
+PJ025954	GSSSDHR 	C27H44N12O13	744.3151	NA	PeJP	NA	NA
+PJ025955	GGGGGGGGGGGV 	C27H44N12O13	744.3152	NA	PeJP	NA	NA
+PJ025956	APTMYY 	C35H48N6O10S	744.3153	NA	PeJP	NA	NA
+PJ025957	GNMMHR 	C28H48N12O8S2	744.316	NA	PeJP	NA	NA
+PJ025958	PLEEEE 	C31H48N6O15	744.3178	NA	PeJP	NA	NA
+PJ025959	STLMMY 	C32H52N6O10S2	744.3186	NA	PeJP	NA	NA
+PJ025960	GPDDRW 	C32H44N10O11	744.3191	NA	PeJP	NA	NA
+PJ025961	GGGGGGPTW 	C32H44N10O11	744.3192	NA	PeJP	NA	NA
+MJ092839	Shaagrockol B 	C36H56O12S2	744.321318	NA	MeJP	NA	NA
+PJ025962	GSPPCER 	C29H48N10O11S	744.3225	NA	PeJP	NA	NA
+PJ025963	PQEWW 	C37H44N8O9	744.3231	NA	PeJP	NA	NA
+PJ025964	GAPEWW 	C37H44N8O9	744.3232	NA	PeJP	NA	NA
+PJ025965	NNNNNR 	C26H44N14O12	744.3263	NA	PeJP	NA	NA
+PJ025966	GGGGNNNR 	C26H44N14O12	744.3264	NA	PeJP	NA	NA
+PJ025967	SPPQMW 	C34H48N8O9S	744.3265	NA	PeJP	NA	NA
+PJ025968	ACCHRR 	C27H48N14O7S2	744.3272	NA	PeJP	NA	NA
+PJ025969	SSSSSKY 	C30H48N8O14	744.329	NA	PeJP	NA	NA
+PJ025970	TCCKKY 	C31H52N8O9S2	744.3299	NA	PeJP	NA	NA
+PJ025971	GNDHFR 	C31H44N12O10	744.3304	NA	PeJP	NA	NA
+PJ025972	VMFYW 	C39H48N6O7S	744.3305	NA	PeJP	NA	NA
+PJ025973	GPMFFF 	C39H48N6O7S	744.3306	NA	PeJP	NA	NA
+PJ025974	GTLEYY 	C35H48N6O12	744.333	NA	PeJP	NA	NA
+PJ025975	SSQMHR 	C28H48N12O10S	744.3337	NA	PeJP	NA	NA
+PJ025976	GGGGPNMR 	C28H48N12O10S	744.3338	NA	PeJP	NA	NA
+PJ025977	GLMMFF 	C36H52N6O7S2	744.3339	NA	PeJP	NA	NA
+PJ025978	QQHFW 	C36H44N10O8	744.3344	NA	PeJP	NA	NA
+MJ092840	6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 3-Benzoyl, 7-(2-methylpropanoyl), 2,5,9,14-tetra-Ac 	C39H52O14	744.335706	NA	MeJP	NA	NA
+PJ025979	SPPCRW 	C33H48N10O8S	744.3378	NA	PeJP	NA	NA
+PJ025980	APWWW 	C41H44N8O6	744.3384	NA	PeJP	NA	NA
+PJ025981	SSSSLQH 	C29H48N10O13	744.3402	NA	PeJP	NA	NA
+PJ025982	SPQEER 	C29H48N10O13	744.3403	NA	PeJP	NA	NA
+PJ025983	PPNMMR 	C30H52N10O8S2	744.3411	NA	PeJP	NA	NA
+PJ025984	GPKEEW 	C34H48N8O11	744.3443	NA	PeJP	NA	NA
+PJ025985	SSCHRR 	C27H48N14O9S	744.345	NA	PeJP	NA	NA
+PJ025986	APHHHF 	C35H44N12O7	744.3456	NA	PeJP	NA	NA
+PJ025987	APPTTQM 	C31H52N8O11S	744.3476	NA	PeJP	NA	NA
+PJ025988	GSPPKEM 	C31H52N8O11S	744.3477	NA	PeJP	NA	NA
+PJ025989	TLYYW 	C39H48N6O9	744.3483	NA	PeJP	NA	NA
+PJ025990	ALMHHH 	C32H48N12O7S	744.349	NA	PeJP	NA	NA
+PJ025991	SPDDRR 	C28H48N12O12	744.3515	NA	PeJP	NA	NA
+PJ025992	GVLMYY 	C36H52N6O9S	744.3517	NA	PeJP	NA	NA
+PJ025993	ACKMHR 	C29H52N12O7S2	744.3524	NA	PeJP	NA	NA
+PJ025994	GPTERW 	C33H48N10O10	744.3555	NA	PeJP	NA	NA
+PJ025995	PVNEMR 	C30H52N10O10S	744.3589	NA	PeJP	NA	NA
+PJ025996	PKEWW 	C38H48N8O8	744.3595	NA	PeJP	NA	NA
+MJ092841	Disorazole A1; O-De-Me 	C42H52N2O10	744.362195	NA	MeJP	NA	NA
+MJ092842	Isothalicrine 	C42H52N2O10	744.362195	NA	MeJP	NA	NA
+PJ025997	GNNERR 	C27H48N14O11	744.3627	NA	PeJP	NA	NA
+PJ025998	GGGGGERR 	C27H48N14O11	744.3628	NA	PeJP	NA	NA
+MJ092843	Phakellistatin 5 	C35H52N8O8S	744.362881	NA	MeJP	NA	NA
+PJ025999	SPPKMW 	C35H52N8O8S	744.3629	NA	PeJP	NA	NA
+PJ026000	VFFFW 	C43H48N6O6	744.3636	NA	PeJP	NA	NA
+PJ026001	PDKKEE 	C31H52N8O13	744.3654	NA	PeJP	NA	NA
+PJ026002	TLLMMH 	C32H56N8O8S2	744.3663	NA	PeJP	NA	NA
+PJ026003	QQQRW 	C32H48N12O9	744.3667	NA	PeJP	NA	NA
+PJ026004	GAQQRW 	C32H48N12O9	744.3668	NA	PeJP	NA	NA
+PJ026005	SSLLYY 	C36H52N6O11	744.3694	NA	PeJP	NA	NA
+PJ026006	GPEMRR 	C29H52N12O9S	744.3701	NA	PeJP	NA	NA
+PJ026007	PTRWW 	C37H48N10O7	744.3708	NA	PeJP	NA	NA
+MJ092844	Maprouneacin 	C40H56O13	744.372091	NA	MeJP	NA	NA
+PJ026008	GPVMRW 	C34H52N10O7S	744.3742	NA	PeJP	NA	NA
+PJ026009	SPKEER 	C30H52N10O12	744.3766	NA	PeJP	NA	NA
+PJ026010	GAALEER 	C30H52N10O12	744.3767	NA	PeJP	NA	NA
+PJ026011	AKKMMH 	C31H56N10O7S2	744.3775	NA	PeJP	NA	NA
+PJ026012	NNRRW 	C31H48N14O8	744.378	NA	PeJP	NA	NA
+8280	Antioxidative peptide	NPYVPR	744.3789	NA  ;SYN:3-methyl-L-histidine; 3-methylhistidine; N(pi)-methyl-l-histidine; Tau-methylhistidine; l-3-methylhistidine; 3-N-Methyl-L-histidine; N3-Methyl-L-histidine; Tau-Methyl-L-histidine; pi-Methyl-L-histidine; N(pai)-Methyl-L-histidine; N(pros)-methyl-L-histidine; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ026013	SPVKEW 	C35H52N8O10	744.3807	NA	PeJP	NA	NA
+PJ026014	PLQKEM 	C32H56N8O10S	744.384	NA	PeJP	NA	NA
+PJ026015	GAPLKEM 	C32H56N8O10S	744.3841	NA	PeJP	NA	NA
+PJ026016	GVLFFY 	C40H52N6O8	744.3847	NA	PeJP	NA	NA
+PJ026017	PMRRW 	C33H52N12O6S	744.3854	NA	PeJP	NA	NA
+PJ026018	GVEERR 	C29H52N12O11	744.3879	NA	PeJP	NA	NA
+MJ092845	Fusarinine B 	C33H56N6O13	744.390535	NA	MeJP	NA	NA
+PJ026019	LLLEEE 	C33H56N6O13	744.3906	NA	PeJP	NA	NA
+PJ026020	AALERW 	C34H52N10O9	744.3919	NA	PeJP	NA	NA
+PJ026021	PVDKMR 	C31H56N10O9S	744.3953	NA	PeJP	NA	NA
+MJ092846	Antibiotic L 156373, 1-(N-Hydroxy-L-valine) analogue 	C39H52N8O7	744.395896	NA	MeJP	NA	NA
+PJ026022	LLQWW 	C39H52N8O7	744.3959	NA	PeJP	NA	NA
+PJ026023	EERRR 	C28H52N14O10	744.3991	NA	PeJP	NA	NA
+PJ026024	APLKMW 	C36H56N8O7S	744.3993	NA	PeJP	NA	NA
+PJ026025	VLQKEE 	C32H56N8O12	744.4018	NA	PeJP	NA	NA
+PJ026026	VERRW 	C33H52N12O8	744.4031	NA	PeJP	NA	NA
+PJ026027	GGAAKRW 	C33H52N12O8	744.4032	NA	PeJP	NA	NA
+PJ026028	SPVMRR 	C30H56N12O8S	744.4065	NA	PeJP	NA	NA
+PJ026029	VVRWW 	C38H52N10O6	744.4072	NA	PeJP	NA	NA
+MJ092847	Gabonine 	C42H56N4O8	744.409814	NA	MeJP	NA	NA
+PJ026030	GSNRRR 	C27H52N16O9	744.4104	NA	PeJP	NA	NA
+PJ026031	ALKEER 	C31H56N10O11	744.413	NA	PeJP	NA	NA
+PJ026032	GGGALDKK 	C31H56N10O11	744.4131	NA	PeJP	NA	NA
+PJ026033	APKHHR 	C32H52N14O7	744.4144	NA	PeJP	NA	NA
+PJ026034	SVLLQW 	C36H56N8O9	744.417	NA	PeJP	NA	NA
+PJ026035	GLLKEW 	C36H56N8O9	744.4171	NA	PeJP	NA	NA
+PJ026036	PLKKEM 	C33H60N8O9S	744.4204	NA	PeJP	NA	NA
+PJ026037	ATLERR 	C30H56N12O10	744.4243	NA	PeJP	NA	NA
+PJ026038	GTLLRW 	C35H56N10O8	744.4283	NA	PeJP	NA	NA
+MJ092848	27-Norergost-22-ene-3,4,6,8,15,26-hexol, 26-O-[2-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C38H64O14	744.429606	NA	MeJP	NA	NA
+MJ092849	3,14-Clerodadiene-6,13-diol, 13-O-[?-L-Fucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-L-rhamnopyranoside] 	C38H64O14	744.429606	NA	MeJP	NA	NA
+MJ092850	Ergost-22-ene-3,6,8,15,16,26-hexol, 3,26-Di-O-?-D-xylopyranoside 	C38H64O14	744.429606	NA	MeJP	NA	NA
+PJ026039	PTLKMR 	C32H60N10O8S	744.4317	NA	PeJP	NA	NA
+PJ026040	LLKWW 	C40H56N8O6	744.4323	NA	PeJP	NA	NA
+PJ026041	GTQKRR 	C29H56N14O9	744.4355	NA	PeJP	NA	NA
+PJ026042	VLKKEE 	C33H60N8O11	744.4382	NA	PeJP	NA	NA
+PJ026043	QKKRW 	C34H56N12O7	744.4395	NA	PeJP	NA	NA
+PJ026044	GLLMRR 	C31H60N12O7S	744.4429	NA	PeJP	NA	NA
+PJ026045	SLLKER 	C32H60N10O10	744.4494	NA	PeJP	NA	NA
+PJ026046	SVLLKW 	C37H60N8O8	744.4534	NA	PeJP	NA	NA
+PJ026047	GAPLLKF 	C37H60N8O8	744.4535	NA	PeJP	NA	NA
+PJ026048	LLLQKM 	C34H64N8O8S	744.4568	NA	PeJP	NA	NA
+C15942	(3S,2'S)-4-Ketomyxol 2'-alpha-L-fucoside	C46H64O8	744.4601	NA	KEGG	NA	NA
+MJ092851	3',4'-Didehydro-1',2'-dihydro-1',2'-dihydroxy-?,?-caroten-4-one, 1'-O-?-D-Glucopyranoside 	C46H64O8	744.460119	NA	MeJP	NA	NA
+MJ092852	Adonixanthin; 3-O-?-D-Glucopyranoside 	C46H64O8	744.460119	NA	MeJP	NA	NA
+MJ092853	Fucoxanthinol; 19'-Butanoyloxy, 3'-Ac 	C46H64O8	744.460119	NA	MeJP	NA	NA
+PJ026049	SVQKKR 	C31H60N12O9	744.4606	NA	PeJP	NA	NA
+PJ026050	STLLRR 	C31H60N12O9	744.4607	NA	PeJP	NA	NA
+PJ026051	GVKKKW 	C36H60N10O7	744.4647	NA	PeJP	NA	NA
+MJ092854	Cholestane-3,4,6,15,24-pentol, 3-O-[2,4-Di-O-methyl-?-D-xylopyranoside], 24-O-?-L-arabinofuranoside 	C39H68O13	744.465992	NA	MeJP	NA	NA
+MJ092855	Cholestane-3,6,8,15,24-pentol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C39H68O13	744.465992	NA	MeJP	NA	NA
+MJ092856	Cholestane-3,6,8,15,24-pentol, 24-O-[2,3-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C39H68O13	744.465992	NA	MeJP	NA	NA
+MJ092857	Cholestane-3,6,8,15,24-pentol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C39H68O13	744.465992	NA	MeJP	NA	NA
+MJ092858	Cholestane-3,6,8,15,24-pentol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] 	C39H68O13	744.465992	NA	MeJP	NA	NA
+MJ092859	Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-3-O-methyl-?-L-arabinofuranoside] 	C39H68O13	744.465992	NA	MeJP	NA	NA
+MJ092860	Cholestane-3,6,8,15,24-pentol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-3-O-methyl-?-D-xylopyranoside] 	C39H68O13	744.465992	NA	MeJP	NA	NA
+PJ026052	VVLKMR 	C33H64N10O7S	744.468	NA	PeJP	NA	NA
+PJ026053	GTKKRR 	C30H60N14O8	744.4719	NA	PeJP	NA	NA
+PJ026054	GTTLLLK 	C34H64N8O10	744.4746	NA	PeJP	NA	NA
+MJ092861	Argiopinin II 	C35H60N12O6	744.475877	NA	MeJP	NA	NA
+PJ026055	KKKRW 	C35H60N12O6	744.4759	NA	PeJP	NA	NA
+PJ026056	VDKKKK 	C33H64N10O9	744.4858	NA	PeJP	NA	NA
+PJ026057	PLLKKF 	C38H64N8O7	744.4898	NA	PeJP	NA	NA
+PJ026058	LLLKKM 	C35H68N8O7S	744.4932	NA	PeJP	NA	NA
+HMDB10576	PG(16:0/18:3(6Z,9Z,12Z))	C40H73O10P	744.494141	NA	HMDB2010	NA	NA
+HMDB10577	PG(16:0/18:3(9Z,12Z,15Z))	C40H73O10P	744.494141	NA	HMDB2010	NA	NA
+HMDB10590	PG(16:1(9Z)/18:2(9Z,12Z))	C40H73O10P	744.494141	NA	HMDB2010	NA	NA
+HMDB10646	PG(18:2(9Z,12Z)/16:1(9Z))	C40H73O10P	744.494141	NA	HMDB2010	NA	NA
+HMDB10660	PG(18:3(6Z,9Z,12Z)/16:0)	C40H73O10P	744.494141	NA	HMDB2010	NA	NA
+HMDB10675	PG(18:3(9Z,12Z,15Z)/16:0)	C40H73O10P	744.494141	NA	HMDB2010	NA	NA
+PJ026059	SVKKKR 	C32H64N12O8	744.497	NA	PeJP	NA	NA
+PJ026060	TLKKKK 	C34H68N10O8	744.5222	NA	PeJP	NA	NA
+MJ092862	Variabilin, 18-(22-Methyl-5,9-tricosadienoyl) (Z,Z-) 	C49H76O5	744.569275	NA	MeJP	NA	NA
+MJ092863	Variabilin, 18-(5,9-Tetracosadienoyl) (Z,Z-) 	C49H76O5	744.569275	NA	MeJP	NA	NA
+C13876	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphonocholine	C42H83NO7P	744.5907	NA	KEGG	NA	NA
+EUR1091	SM(d18:1/20:0) [M-H-CH3]-	C43H87N2O6P	744.614526	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1091	SM(d18:1/20:0) [M-H-CH3]-	C43H87N2O6P	744.614526	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1091	SM(d18:1/20:0) [M-H-CH3]-	C43H87N2O6P	744.614526	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1091	SM(d18:1/20:0) [M-H-CH3]-	C43H87N2O6P	744.614526	masses lipides attendues	Inhousejuil11	NA	NA
+C13051	Nicotinic acid adenine dinucleotide phosphate	C21H28N6O18P3	745.0673	NA	KEGG	NA	NA
+C13052	Transferred to D01593	C21H28N6O18P3	745.0673	NA	KEGG	NA	NA
+C13053	Transferred to D01594	C21H28N6O18P3	745.0673	NA	KEGG	NA	NA
+C13054	Transferred to D01595	C21H28N6O18P3	745.0673	NA	KEGG	NA	NA
+C13055	Transferred to D01596	C21H28N6O18P3	745.0673	NA	KEGG	NA	NA
+C13056	Transferred to D01597	C21H28N6O18P3	745.0673	NA	KEGG	NA	NA
+C00005	NADPH	C21H30N7O17P3	745.0911	NA	KEGG	NA	NA
+MJ092864	NADPH 	C21H30N7O17P3	745.091102	NA	MeJP	NA	NA
+MetaCyc04092	NADPH [Nicotinamide adenine dinucleotide phosphate - reduced;NADPH+H+;NADPH2;NADPH2;dihydrotriphosphopyridine nucleotide;dihydrotriphosphopyridine nucleotide reduced;dihydronicotinamide adenine dinucleotide phosphate;dihydronicotinamide adenine dinucleotide phosphate reduced;NADP-reduced;NADP-red;NADPH+H+;TPNH;dihydronicotinamide adenine dinucleotide-P;NADP(H);]	C21H30N7O17P3	745.091102	2646-71-1	metacyc	NA	NA
+HMDB00221	NADPH	C21H30N7O17P3	745.091125	NA	HMDB2010	NA	NA
+HMDB00221	NADPH	C21H30N7O17P3	745.09113	http://www.hmdb.ca/metabolites/HMDB00221	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00221	NADPH	C21H30N7O17P3	745.09113	http://www.hmdb.ca/metabolites/HMDB00221	HMDB	NA	NA
+HMDB00221	NADPH	C21H30N7O17P3	745.09113	http://www.hmdb.ca/metabolites/HMDB00221	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00221	NADPH	C21H30N7O17P3	745.09113	HMDB00221	PFEM_hmdb_metabocards_official	NA	NA
+PJ026061	PCCCCCD 	C24H39N7O10S5	745.1362	NA	PeJP	NA	NA
+PJ026062	GCCCDDM 	C24H39N7O12S4	745.154	NA	PeJP	NA	NA
+PJ026063	SCCCCNN 	C23H39N9O11S4	745.1652	NA	PeJP	NA	NA
+PJ026064	CCCCEW 	C28H39N7O9S4	745.1692	NA	PeJP	NA	NA
+PJ026065	SSCCCDE 	C24H39N7O14S3	745.1717	NA	PeJP	NA	NA
+PJ026066	SPCCCCM 	C25H43N7O9S5	745.1726	NA	PeJP	NA	NA
+PJ026067	GSCCDMM 	C25H43N7O11S4	745.1904	NA	PeJP	NA	NA
+PJ026068	CCNDEY 	C28H39N7O13S2	745.2048	NA	PeJP	NA	NA
+PJ026069	TCCCMW 	C29H43N7O8S4	745.2056	NA	PeJP	NA	NA
+PJ026070	SSSCCEM 	C25H43N7O13S3	745.2081	NA	PeJP	NA	NA
+PJ026071	CCQMMM 	C26H47N7O8S5	745.209	NA	PeJP	NA	NA
+PJ026072	GSCCCHH 	C26H39N11O9S3	745.2095	NA	PeJP	NA	NA
+PJ026073	GPCCDDH 	C27H39N9O12S2	745.216	NA	PeJP	NA	NA
+PJ026074	GCCDYW 	C32H39N7O10S2	745.22	NA	PeJP	NA	NA
+PJ026075	CCCMMR 	C25H47N9O7S5	745.2202	NA	PeJP	NA	NA
+PJ026076	GSSCDDY 	C28H39N7O15S	745.2225	NA	PeJP	NA	NA
+PJ026077	GPTCCCY 	C29H43N7O10S3	745.2234	NA	PeJP	NA	NA
+PJ026078	ASTCCMM 	C26H47N7O10S4	745.2267	NA	PeJP	NA	NA
+PJ026079	GSSCMMM 	C26H47N7O10S4	745.2268	NA	PeJP	NA	NA
+PJ026080	NDDDMH 	C27H39N9O14S	745.2338	NA	PeJP	NA	NA
+PJ026081	CCCDFR 	C28H43N9O9S3	745.2346	NA	PeJP	NA	NA
+PJ026082	GCCMFW 	C33H43N7O7S3	745.2386	NA	PeJP	NA	NA
+PJ026083	SCNEMY 	C29H43N7O12S2	745.2411	NA	PeJP	NA	NA
+PJ026084	SSSTCMM 	C26H47N7O12S3	745.2445	NA	PeJP	NA	NA
+PJ026085	GSCNNDH 	C26H39N11O13S	745.245	NA	PeJP	NA	NA
+PJ026086	CCKMMM 	C27H51N7O7S5	745.2454	NA	PeJP	NA	NA
+PJ026087	GCDEHW 	C31H39N9O11S	745.249	NA	PeJP	NA	NA
+PJ026088	GSSDDEH 	C27H39N9O16	745.2515	NA	PeJP	NA	NA
+PJ026089	SCCDRY 	C28H43N9O11S2	745.2524	NA	PeJP	NA	NA
+PJ026090	GNDDYY 	C32H39N7O14	745.2555	NA	PeJP	NA	NA
+PJ026091	GSCMYW 	C33H43N7O9S2	745.2564	NA	PeJP	NA	NA
+MJ092865	Perdeacylevonine; 4-Deoxy, 1,6,9,14-tetra-Ac 	C36H43NO16	745.258184	NA	MeJP	NA	NA
+PJ026092	GSSSDMY 	C29H43N7O14S	745.2589	NA	PeJP	NA	NA
+PJ026093	GNMMMY 	C30H47N7O9S3	745.2598	NA	PeJP	NA	NA
+PJ026094	CNNQMH 	C27H43N11O10S2	745.2636	NA	PeJP	NA	NA
+PJ026095	CDHWW 	C35H39N9O8S	745.2643	NA	PeJP	NA	NA
+PJ026096	SSDDHW 	C31H39N9O13	745.2668	NA	PeJP	NA	NA
+MJ092866	Ecteinascidin 743; 21-Deoxy 	C39H43N3O10S	745.266915	NA	MeJP	NA	NA
+PJ026097	PTCCHW 	C32H43N9O8S2	745.2676	NA	PeJP	NA	NA
+PJ026098	SNEEMH 	C28H43N9O13S	745.2701	NA	PeJP	NA	NA
+PJ026099	GGGGSPPCD 	C28H43N9O13S	745.2702	NA	PeJP	NA	NA
+PJ026100	ACCMRY 	C29H47N9O8S3	745.271	NA	PeJP	NA	NA
+PJ026101	SSTCYW 	C33H43N7O11S	745.2741	NA	PeJP	NA	NA
+PJ026102	PPCDEW 	C33H43N7O11S	745.2742	NA	PeJP	NA	NA
+PJ026103	CCNNHR 	C26H43N13O9S2	745.2748	NA	PeJP	NA	NA
+PJ026104	GGCCNHR 	C26H43N13O9S2	745.2749	NA	PeJP	NA	NA
+PJ026105	SSSSSEY 	C29H43N7O16	745.2766	NA	PeJP	NA	NA
+PJ026106	PNEEEE 	C29H43N7O16	745.2767	NA	PeJP	NA	NA
+MJ092867	Ansathiazin 	C37H47NO13S	745.276811	NA	MeJP	NA	NA
+PJ026107	SSQMMY 	C30H47N7O11S2	745.2775	NA	PeJP	NA	NA
+PJ026108	SCDEHR 	C27H43N11O12S	745.2814	NA	PeJP	NA	NA
+PJ026109	PCCMHR 	C28H47N11O7S3	745.2822	NA	PeJP	NA	NA
+PJ026110	GSEMHW 	C32H43N9O10S	745.2854	NA	PeJP	NA	NA
+PJ026111	PDDDER 	C28H43N9O15	745.2879	NA	PeJP	NA	NA
+PJ026112	SSCMRY 	C29H47N9O10S2	745.2887	NA	PeJP	NA	NA
+PJ026113	TTCCRY 	C29H47N9O10S2	745.2888	NA	PeJP	NA	NA
+PJ026114	SNDHHH 	C29H39N13O11	745.2892	NA	PeJP	NA	NA
+PJ026115	CQFYW 	C37H43N7O8S	745.2894	NA	PeJP	NA	NA
+PJ026116	GPEEEW 	C33H43N7O13	745.2919	NA	PeJP	NA	NA
+PJ026117	GNMMFF 	C34H47N7O8S2	745.2928	NA	PeJP	NA	NA
+PJ026118	GSSTTMY 	C30H47N7O13S	745.2953	NA	PeJP	NA	NA
+PJ026119	ACKMMY 	C31H51N7O8S3	745.2962	NA	PeJP	NA	NA
+PJ026120	SSSSNQH 	C27H43N11O14	745.2991	NA	PeJP	NA	NA
+PJ026121	GGGGGGAANE 	C27H43N11O14	745.2992	NA	PeJP	NA	NA
+PJ026122	GDMMHR 	C28H47N11O9S2	745.3	NA	PeJP	NA	NA
+PJ026123	SMHWW 	C36H43N9O7S	745.3006	NA	PeJP	NA	NA
+PJ026124	GPCHFW 	C36H43N9O7S	745.3007	NA	PeJP	NA	NA
+PJ026125	SSTEHW 	C32H43N9O12	745.3031	NA	PeJP	NA	NA
+PJ026126	GGSPNEW 	C32H43N9O12	745.3032	NA	PeJP	NA	NA
+PJ026127	AAMMHW 	C33H47N9O7S2	745.304	NA	PeJP	NA	NA
+PJ026128	SDKEMH 	C29H47N9O12S	745.3065	NA	PeJP	NA	NA
+PJ026129	PEEWW 	C37H43N7O10	745.3072	NA	PeJP	NA	NA
+PJ026130	PCKMMH 	C30H51N9O7S3	745.3074	NA	PeJP	NA	NA
+PJ026131	GQMHHH 	C30H43N13O8S	745.3079	NA	PeJP	NA	NA
+PJ026132	NNNNDR 	C26H43N13O13	745.3104	NA	PeJP	NA	NA
+PJ026133	SPPEMW 	C34H47N7O10S	745.3105	NA	PeJP	NA	NA
+PJ026134	SSSTTTY 	C30H47N7O15	745.313	NA	PeJP	NA	NA
+PJ026135	PDKEEE 	C30H47N7O15	745.3131	NA	PeJP	NA	NA
+PJ026136	SSKMMY 	C31H51N7O10S2	745.3139	NA	PeJP	NA	NA
+PJ026137	GNNQQW 	C31H43N11O11	745.3144	NA	PeJP	NA	NA
+PJ026138	SSEMHR 	C28H47N11O11S	745.3177	NA	PeJP	NA	NA
+PJ026139	TTCEHR 	C28H47N11O11S	745.3178	NA	PeJP	NA	NA
+PJ026140	GSPNWW 	C36H43N9O9	745.3184	NA	PeJP	NA	NA
+PJ026141	GCHHHR 	C29H43N15O7S	745.3191	NA	PeJP	NA	NA
+PJ026142	ATTMHW 	C33H47N9O9S	745.3218	NA	PeJP	NA	NA
+PJ026143	SPEEER 	C29H47N9O14	745.3243	NA	PeJP	NA	NA
+PJ026144	SLQMMH 	C30H51N9O9S2	745.3251	NA	PeJP	NA	NA
+PJ026145	PPDMMR 	C30H51N9O9S2	745.3252	NA	PeJP	NA	NA
+PJ026146	STQHHH 	C30H43N13O10	745.3256	NA	PeJP	NA	NA
+PJ026147	CKFYW 	C38H47N7O7S	745.3258	NA	PeJP	NA	NA
+PJ026148	SPVEEW 	C34H47N7O12	745.3283	NA	PeJP	NA	NA
+PJ026149	PPCLMW 	C35H51N7O7S2	745.3292	NA	PeJP	NA	NA
+PJ026150	PLQEEM 	C31H51N7O12S	745.3317	NA	PeJP	NA	NA
+PJ026151	GPCQRW 	C32H47N11O8S	745.333	NA	PeJP	NA	NA
+PJ026152	AHFWW 	C40H43N9O6	745.3337	NA	PeJP	NA	NA
+MJ092868	Maytansine; N-De-Ac, N2'-(3-methyl-2-pentenoyl)(E-) 	C38H52ClN3O10	745.334122	NA	MeJP	NA	NA
+MJ092869	Maytansine; N-De-Ac, N2'-(3-methyl-2-pentenoyl)(Z-) 	C38H52ClN3O10	745.334122	NA	MeJP	NA	NA
+PJ026153	GQQEER 	C28H47N11O13	745.3355	NA	PeJP	NA	NA
+PJ026154	ATMMHR 	C29H51N11O8S2	745.3364	NA	PeJP	NA	NA
+PJ026155	TTTTHW 	C33H47N9O11	745.3395	NA	PeJP	NA	NA
+PJ026156	GGGGALEW 	C33H47N9O11	745.3396	NA	PeJP	NA	NA
+PJ026157	PVDEMR 	C30H51N9O11S	745.3429	NA	PeJP	NA	NA
+PJ026158	SKYYW 	C38H47N7O9	745.3435	NA	PeJP	NA	NA
+PJ026159	APPEFW 	C38H47N7O9	745.3436	NA	PeJP	NA	NA
+PJ026160	PPCHHR 	C31H47N13O7S	745.3443	NA	PeJP	NA	NA
+PJ026161	ANDDRR 	C27H47N13O12	745.3467	NA	PeJP	NA	NA
+PJ026162	GNDERR 	C27H47N13O12	745.3468	NA	PeJP	NA	NA
+PJ026163	APLEMW 	C35H51N7O9S	745.3469	NA	PeJP	NA	NA
+PJ026164	VLQEEE 	C31H51N7O14	745.3494	NA	PeJP	NA	NA
+PJ026165	GPPTLMM 	C32H55N7O9S2	745.3503	NA	PeJP	NA	NA
+PJ026166	QQERW 	C32H47N11O10	745.3508	NA	PeJP	NA	NA
+MJ092870	Carboxymycobactins; Carboxymycobactin 1 	C36H51N5O12	745.353422	NA	MeJP	NA	NA
+PJ026167	TTTMHR 	C29H51N11O10S	745.3541	NA	PeJP	NA	NA
+PJ026168	GGGAPTMR 	C29H51N11O10S	745.3542	NA	PeJP	NA	NA
+MJ092871	Cyclotheonamide B 	C37H47N9O8	745.354759	NA	MeJP	NA	NA
+PJ026169	VQQWW 	C37H47N9O8	745.3548	NA	PeJP	NA	NA
+PJ026170	GPQKMW 	C34H51N9O8S	745.3582	NA	PeJP	NA	NA
+PJ026171	SSSPLQQ 	C30H51N9O13	745.3606	NA	PeJP	NA	NA
+PJ026172	ALEEER 	C30H51N9O13	745.3607	NA	PeJP	NA	NA
+PJ026173	SLKMMH 	C31H55N9O8S2	745.3615	NA	PeJP	NA	NA
+PJ026174	NDRRW 	C31H47N13O9	745.362	NA	PeJP	NA	NA
+PJ026175	GLLEEW 	C35H51N7O11	745.3647	NA	PeJP	NA	NA
+PJ026176	SPCQRR 	C28H51N13O9S	745.3654	NA	PeJP	NA	NA
+PJ026177	AQRWW 	C36H47N11O7	745.366	NA	PeJP	NA	NA
+PJ026178	SPPTTLM 	C32H55N7O11S	745.368	NA	PeJP	NA	NA
+PJ026179	PLKEEM 	C32H55N7O11S	745.3681	NA	PeJP	NA	NA
+PJ026180	GPCKRW 	C33H51N11O7S	745.3694	NA	PeJP	NA	NA
+PJ026181	GQKEER 	C29H51N11O12	745.3719	NA	PeJP	NA	NA
+PJ026182	CCKKKH 	C30H55N11O7S2	745.3728	NA	PeJP	NA	NA
+PJ026183	GVQKEW 	C34H51N9O10	745.3759	NA	PeJP	NA	NA
+PJ026184	PTLEMR 	C31H55N9O10S	745.3793	NA	PeJP	NA	NA
+PJ026185	LLEWW 	C39H51N7O8	745.3799	NA	PeJP	NA	NA
+PJ026186	MHFRR 	C32H51N13O6S	745.3806	NA	PeJP	NA	NA
+PJ026187	GTQERR 	C28H51N13O11	745.3831	NA	PeJP	NA	NA
+PJ026188	GGGGGGTKR 	C28H51N13O11	745.3832	NA	PeJP	NA	NA
+PJ026189	SPLLMW 	C36H55N7O8S	745.3833	NA	PeJP	NA	NA
+PJ026190	VLKEEE 	C32H55N7O13	745.3858	NA	PeJP	NA	NA
+PJ026191	AAPLLMM 	C33H59N7O8S2	745.3867	NA	PeJP	NA	NA
+PJ026192	QKERW 	C33H51N11O9	745.3871	NA	PeJP	NA	NA
+PJ026193	GAKERW 	C33H51N11O9	745.3872	NA	PeJP	NA	NA
+MJ092872	Amamistatin A 	C37H55N5O11	745.389807	NA	MeJP	NA	NA
+PJ026194	SPQKMR 	C30H55N11O9S	745.3905	NA	PeJP	NA	NA
+PJ026195	VQKWW 	C38H51N9O7	745.3912	NA	PeJP	NA	NA
+PJ026196	GSDRRR 	C27H51N15O10	745.3944	NA	PeJP	NA	NA
+PJ026197	GPKKMW 	C35H55N9O7S	745.3946	NA	PeJP	NA	NA
+PJ026198	SLLEER 	C31H55N9O12	745.397	NA	PeJP	NA	NA
+PJ026199	VTLEER 	C31H55N9O12	745.3971	NA	PeJP	NA	NA
+PJ026200	PVLMMR 	C32H59N9O7S2	745.3979	NA	PeJP	NA	NA
+PJ026201	TQRRW 	C32H51N13O8	745.3984	NA	PeJP	NA	NA
+PJ026202	SVLLEW 	C36H55N7O10	745.4011	NA	PeJP	NA	NA
+PJ026203	GVQMRR 	C29H55N13O8S	745.4018	NA	PeJP	NA	NA
+PJ026204	AKRWW 	C37H51N11O6	745.4024	NA	PeJP	NA	NA
+PJ026205	LLLQEM 	C33H59N7O10S	745.4044	NA	PeJP	NA	NA
+PJ026206	GALLLEM 	C33H59N7O10S	745.4045	NA	PeJP	NA	NA
+PJ026207	GKKEER 	C30H55N11O11	745.4083	NA	PeJP	NA	NA
+PJ026208	GVKKEW 	C35H55N9O9	745.4123	NA	PeJP	NA	NA
+PJ026209	QMRRR 	C28H55N15O7S	745.413	NA	PeJP	NA	NA
+PJ026210	VVLEMR 	C32H59N9O9S	745.4157	NA	PeJP	NA	NA
+PJ026211	APLLFW 	C40H55N7O7	745.4163	NA	PeJP	NA	NA
+PJ026212	GTKERR 	C29H55N13O10	745.4195	NA	PeJP	NA	NA
+PJ026213	ALLLMW 	C37H59N7O7S	745.4197	NA	PeJP	NA	NA
+MJ092873	Fozivudine tidoxil 	C35H64N5O8PS	745.421321	NA	MeJP	NA	NA
+PJ026214	GTTLLLE 	C33H59N7O12	745.4222	NA	PeJP	NA	NA
+PJ026215	KKERW 	C34H55N11O8	745.4235	NA	PeJP	NA	NA
+PJ026216	GAAPKFR 	C34H55N11O8	745.4236	NA	PeJP	NA	NA
+PJ026217	CRRRR 	C27H55N17O6S	745.4242	NA	PeJP	NA	NA
+MJ092874	Tylosin B; 20-Alcohol, 2C,3C-di-O-de-Me 	C37H63NO14	745.424855	NA	MeJP	NA	NA
+PJ026218	SPKKMR 	C31H59N11O8S	745.4269	NA	PeJP	NA	NA
+PJ026219	VKKWW 	C39H55N9O6	745.4276	NA	PeJP	NA	NA
+PJ026220	GTTRRR 	C28H55N15O9	745.4308	NA	PeJP	NA	NA
+PJ026221	VDKKKE 	C32H59N9O11	745.4334	NA	PeJP	NA	NA
+PJ026222	TKRRW 	C33H55N13O7	745.4348	NA	PeJP	NA	NA
+PJ026223	TTLLLW 	C37H59N7O9	745.4375	NA	PeJP	NA	NA
+PJ026224	ACLKRR 	C30H59N13O7S	745.4381	NA	PeJP	NA	NA
+PJ026225	GVKMRR 	C30H59N13O7S	745.4382	NA	PeJP	NA	NA
+PJ026226	LLLKEM 	C34H63N7O9S	745.4408	NA	PeJP	NA	NA
+PJ026227	SVKKER 	C31H59N11O10	745.4447	NA	PeJP	NA	NA
+PJ026228	ATLKKW 	C36H59N9O8	745.4487	NA	PeJP	NA	NA
+PJ026229	KMRRR 	C29H59N15O6S	745.4494	NA	PeJP	NA	NA
+PJ026230	TLLLMR 	C33H63N9O8S	745.4521	NA	PeJP	NA	NA
+PJ026231	SSLKRR 	C30H59N13O9	745.4559	NA	PeJP	NA	NA
+PJ026232	SSTLLLL 	C34H63N7O11	745.4586	NA	PeJP	NA	NA
+PJ026233	APKKFR 	C35H59N11O7	745.4599	NA	PeJP	NA	NA
+3321	NA	KIPYIL	745.461	celiac toxic	Inhouse_peptide	NA	peptide
+MJ092875	Erythromycin D; 3''-O-Ac 	C38H67NO13	745.461241	NA	MeJP	NA	NA
+PJ026234	ALKKMR 	C32H63N11O7S	745.4633	NA	PeJP	NA	NA
+PJ026235	TLKKKE 	C33H63N9O10	745.4698	NA	PeJP	NA	NA
+PJ026236	PLLLKY 	C38H63N7O8	745.4738	NA	PeJP	NA	NA
+MJ092876	Neuromedin N 	C38H63N7O8	745.473812	NA	MeJP	NA	NA
+PJ026237	GALLLLF 	C38H63N7O8	745.4739	NA	PeJP	NA	NA
+MJ092877	Iron(III) diphosphate (Fe4(P2O7)3) 	Fe4O21P6	745.475544	NA	MeJP	NA	NA
+MJ092878	Spinosyn; Spinosyn D 	C42H67NO10	745.476497	NA	MeJP	NA	NA
+C11056	Spinosyn D	C42H67NO10	745.4765	NA	KEGG	NA	NA
+PJ026238	TTLKKR 	C32H63N11O9	745.4811	NA	PeJP	NA	NA
+PJ026239	VVLLFR 	C37H63N9O7	745.4851	NA	PeJP	NA	NA
+PJ026240	VLKKKM 	C34H67N9O7S	745.4885	NA	PeJP	NA	NA
+PJ026241	LLLLKF 	C39H67N7O7	745.5102	NA	PeJP	NA	NA
+PJ026242	SKKKKK 	C33H67N11O8	745.5174	NA	PeJP	NA	NA
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR545	16 :0-18 :1 PC F2	NA	745.560025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR545	16 :0-18 :1 PC F2	NA	745.560025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR545	16 :0-18 :1 PC F2	NA	745.560025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR545	16 :0-18 :1 PC F2	NA	745.560025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR545	16 :0-18 :1 PC F2	F2	745.560025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05321	GPEtn(16:0/20:1(11Z))	C41H80NO8P	745.56213	http://www.hmdb.ca/metabolites/HMDB05321	HMDB	NA	NA
+HMDB05330	GPEtn(18:0/18:1(9Z))[U]	C41H80NO8P	745.56213	http://www.hmdb.ca/metabolites/HMDB05330	HMDB	NA	NA
+HMDB05345	GPEtn(18:1(9Z)/18:0)[U]	C41H80NO8P	745.56213	http://www.hmdb.ca/metabolites/HMDB05345	HMDB	NA	NA
+HMDB05321	GPEtn(16:0/20:1(11Z))	C41H80NO8P	745.56213	HMDB05321	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05330	GPEtn(18:0/18:1(9Z))[U]	C41H80NO8P	745.56213	HMDB05330	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05345	GPEtn(18:1(9Z)/18:0)[U]	C41H80NO8P	745.56213	HMDB05345	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07938	PC(15:0/18:1(11Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB07939	PC(15:0/18:1(9Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08066	PC(18:1(11Z)/15:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08099	PC(18:1(9Z)/15:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08842	PE(14:0/22:1(13Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08874	PE(14:1(9Z)/22:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08933	PE(16:0/20:1(11Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08965	PE(16:1(9Z)/20:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08992	PE(18:0/18:1(11Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB08993	PE(18:0/18:1(9Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB09024	PE(18:1(11Z)/18:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB09057	PE(18:1(9Z)/18:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB09221	PE(20:0/16:1(9Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB09253	PE(20:1(11Z)/16:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB09482	PE(22:0/14:1(9Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB09514	PE(22:1(13Z)/14:0)	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+HMDB10568	PE-NMe2(16:0/18:1(9Z))	C41H80NO8P	745.562134	NA	HMDB2010	NA	NA
+EUR941	PC 34:1 [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1031	16:0-18:1 PC [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR941	PC 34:1 [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1031	16:0-18:1 PC [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR941	PC 34:1 [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1031	16:0-18:1 PC [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR941	PC 34:1 [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1031	16:0-18:1 PC [M-H-CH3]-	C42H82NO8P	745.562157	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07995	PC(16:0/P-18:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+HMDB08060	PC(18:0/P-16:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+HMDB11208	PC(P-16:0/18:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+HMDB11239	PC(P-18:0/16:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+HMDB13412	PC(o-16:1(9Z)/18:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+HMDB13424	PC(o-18:1(11Z)/16:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+HMDB13426	PC(o-18:1(9Z)/16:0)	C42H84NO7P	745.598511	NA	HMDB2010	NA	NA
+2789	NA	DAENLIDSFQEIV	745.84785	MH2+	Inhouse_peptide	NA	peptide
+MJ092879	Mertiatide; Oxo-Tc complex (1:1), dimer 	C16H18N6O12S2Tc2	745.856842	NA	MeJP	NA	NA
+MJ092880	Konbuacidin A 	C22H22Br3ClN10O3	745.9115	NA	MeJP	NA	NA
+3867	vespa-like peptide from R, Erythraea	FLPILGKIAGFLFG	745.935	MH2+	Inhouse_peptide	NA	peptide
+MJ092881	Bisisodiospyrin 	C44H26O12	746.142426	NA	MeJP	NA	NA
+MJ092882	3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) 	C37H30O17	746.148299	NA	MeJP	NA	NA
+MJ092883	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy, 3-O-(3,4,5-trihydroxybenzoyl) 	C37H30O17	746.148299	NA	MeJP	NA	NA
+MJ092884	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 3'-O-(3,4,5-trihydroxybenzoyl) 	C37H30O17	746.148299	NA	MeJP	NA	NA
+MJ092885	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'''-Deoxy, 3'-(3,4,5-trihydroxybenzoyl) 	C37H30O17	746.148299	NA	MeJP	NA	NA
+MJ092886	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 3'-O-(3,4,5-trihydroxybenzoyl) 	C37H30O17	746.148299	NA	MeJP	NA	NA
+C10223	Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester	C37H30O17	746.1483	NA	KEGG	NA	NA
+PJ026243	SCCCCND 	C23H38N8O12S4	746.1492	NA	PeJP	NA	NA
+PJ026244	GCCCCQM 	C24H42N8O9S5	746.1679	NA	PeJP	NA	NA
+PJ026245	GCCCCCR 	C23H42N10O8S5	746.1791	NA	PeJP	NA	NA
+MJ092887	Helisorin 	C38H34O16	746.184685	NA	MeJP	NA	NA
+MJ092888	Julichrome Q1.9 	C38H34O16	746.184685	NA	MeJP	NA	NA
+PJ026246	SSCCCNM 	C24H42N8O11S4	746.1856	NA	PeJP	NA	NA
+PJ026247	CCDDEY 	C28H38N6O14S2	746.1888	NA	PeJP	NA	NA
+PJ026248	CCEMMM 	C26H46N6O9S5	746.193	NA	PeJP	NA	NA
+PJ026249	GSSSTCCC 	C24H42N8O13S3	746.2034	NA	PeJP	NA	NA
+PJ026250	GCCCCKM 	C25H46N8O8S5	746.2043	NA	PeJP	NA	NA
+PJ026251	CCDEMF 	C29H42N6O11S3	746.2074	NA	PeJP	NA	NA
+PJ026252	DDDDMH 	C27H38N8O15S	746.2178	NA	PeJP	NA	NA
+PJ026253	CCNNMY 	C28H42N8O10S3	746.2186	NA	PeJP	NA	NA
+PJ026254	SSSSSSCC 	C24H42N8O15S2	746.2211	NA	PeJP	NA	NA
+PJ026255	STCCCCK 	C25H46N8O10S4	746.222	NA	PeJP	NA	NA
+PJ026256	SCDEMY 	C29H42N6O13S2	746.2252	NA	PeJP	NA	NA
+PJ026257	PCCMMY 	C30H46N6O8S4	746.226	NA	PeJP	NA	NA
+MJ092889	Henryoside; 6'-O-?-D-Glucopyranoside 	C32H42O20	746.226943	NA	MeJP	NA	NA
+PJ026258	GSCNDDH 	C26H38N10O14S	746.229	NA	PeJP	NA	NA
+PJ026259	TCMMMM 	C27H50N6O8S5	746.2294	NA	PeJP	NA	NA
+PJ026260	GPCCCQH 	C27H42N10O9S3	746.2299	NA	PeJP	NA	NA
+PJ026261	GPNDDDD 	C27H38N8O17	746.2355	NA	PeJP	NA	NA
+PJ026262	GSSCCQY 	C28H42N8O12S2	746.2364	NA	PeJP	NA	NA
+PJ026263	GDDDYY 	C32H38N6O15	746.2395	NA	PeJP	NA	NA
+PJ026264	PCCDFY 	C33H42N6O10S2	746.2404	NA	PeJP	NA	NA
+PJ026265	GDMMMY 	C30H46N6O10S3	746.2438	NA	PeJP	NA	NA
+PJ026266	CNNEMH 	C27H42N10O11S2	746.2476	NA	PeJP	NA	NA
+PJ026267	CCNNFF 	C32H42N8O9S2	746.2516	NA	PeJP	NA	NA
+PJ026268	GGGGCCFF 	C32H42N8O9S2	746.2517	NA	PeJP	NA	NA
+PJ026269	SSSSCNY 	C28H42N8O14S	746.2541	NA	PeJP	NA	NA
+PJ026270	SDEEMH 	C28H42N8O14S	746.2542	NA	PeJP	NA	NA
+PJ026271	CCCQKY 	C29H46N8O9S3	746.255	NA	PeJP	NA	NA
+MJ092890	Herpetetradione 	C40H42O14	746.257456	NA	MeJP	NA	NA
+PJ026272	SPCDYY 	C33H42N6O12S	746.2582	NA	PeJP	NA	NA
+PJ026273	CCNDHR 	C26H42N12O10S2	746.2589	NA	PeJP	NA	NA
+PJ026274	PCCMFF 	C34H46N6O7S3	746.259	NA	PeJP	NA	NA
+PJ026275	PDEEEE 	C29H42N6O17	746.2607	NA	PeJP	NA	NA
+PJ026276	SSEMMY 	C30H46N6O12S2	746.2615	NA	PeJP	NA	NA
+PJ026277	GMMMMF 	C31H50N6O7S4	746.2624	NA	PeJP	NA	NA
+PJ026278	GCNMHW 	C31H42N10O8S2	746.2629	NA	PeJP	NA	NA
+MJ092891	Cantleyoside 	C33H46O19	746.263329	NA	MeJP	NA	NA
+PJ026279	GSSNDMH 	C27H42N10O13S	746.2654	NA	PeJP	NA	NA
+PJ026280	GPCCCKH 	C28H46N10O8S3	746.2663	NA	PeJP	NA	NA
+PJ026281	GCNQYY 	C32H42N8O11S	746.2694	NA	PeJP	NA	NA
+PJ026282	GSPNDEE 	C28H42N8O16	746.2719	NA	PeJP	NA	NA
+PJ026283	GSSCCKY 	C29H46N8O11S2	746.2728	NA	PeJP	NA	NA
+PJ026284	SDDHHH 	C29H38N12O12	746.2733	NA	PeJP	NA	NA
+PJ026285	CEFYW 	C37H42N6O9S	746.2734	NA	PeJP	NA	NA
+PJ026286	GSEEYY 	C33H42N6O14	746.2759	NA	PeJP	NA	NA
+PJ026287	APCMYY 	C34H46N6O9S2	746.2768	NA	PeJP	NA	NA
+MJ092892	Buddlenol B; 9'-O-?-D-Glucopyranoside 	C37H46O16	746.278585	NA	MeJP	NA	NA
+MJ092893	Hedyotol C; 4''-O-?-D-Glucopyranoside 	C37H46O16	746.278585	NA	MeJP	NA	NA
+MJ092894	Hedyotol C; 7''-Epimer, 4''-O-?-D-glucopyranoside 	C37H46O16	746.278585	NA	MeJP	NA	NA
+PJ026288	ATMMMY 	C31H50N6O9S3	746.2802	NA	PeJP	NA	NA
+PJ026289	SSCQHW 	C31H42N10O10S	746.2806	NA	PeJP	NA	NA
+PJ026290	GGGGPCNW 	C31H42N10O10S	746.2807	NA	PeJP	NA	NA
+PJ026291	SSSSNEH 	C27H42N10O15	746.2831	NA	PeJP	NA	NA
+PJ026292	GGGGNQEE 	C27H42N10O15	746.2832	NA	PeJP	NA	NA
+PJ026293	GPPCCDR 	C28H46N10O10S2	746.284	NA	PeJP	NA	NA
+PJ026294	SSNNYY 	C32H42N8O13	746.2871	NA	PeJP	NA	NA
+PJ026295	SPNDEW 	C32H42N8O13	746.2872	NA	PeJP	NA	NA
+PJ026296	PPCNMW 	C33H46N8O8S2	746.288	NA	PeJP	NA	NA
+PJ026297	TTEEMH 	C29H46N8O13S	746.2905	NA	PeJP	NA	NA
+PJ026298	GGGAPEEM 	C29H46N8O13S	746.2906	NA	PeJP	NA	NA
+PJ026299	SEYYW 	C37H42N6O11	746.2912	NA	PeJP	NA	NA
+PJ026300	CCCKKY 	C30H50N8O8S3	746.2914	NA	PeJP	NA	NA
+PJ026301	GEMHHH 	C30H42N12O9S	746.2919	NA	PeJP	NA	NA
+MJ092895	13,17-Epoxy-3,5,8,14,15-pentahydroxy-7-oxomyrsinolide, 5,8-Dibenzoyl, 14-propanoyl, 3-Ac 	C41H46O13	746.293841	NA	MeJP	NA	NA
+PJ026302	NNNDDR 	C26H42N12O14	746.2944	NA	PeJP	NA	NA
+PJ026303	SSPMYY 	C34H46N6O11S	746.2945	NA	PeJP	NA	NA
+PJ026304	AAEMYY 	C34H46N6O11S	746.2946	NA	PeJP	NA	NA
+PJ026305	SCNMHR 	C27H46N12O9S2	746.2952	NA	PeJP	NA	NA
+PJ026306	GGSCMHR 	C27H46N12O9S2	746.2953	NA	PeJP	NA	NA
+PJ026307	GCHHFF 	C35H42N10O7S	746.2959	NA	PeJP	NA	NA
+PJ026308	TTTMMY 	C31H50N6O11S2	746.2979	NA	PeJP	NA	NA
+PJ026309	GSSSSHW 	C31H42N10O12	746.2984	NA	PeJP	NA	NA
+PJ026310	ACCKHW 	C32H46N10O7S2	746.2993	NA	PeJP	NA	NA
+PJ026311	PNDDMR 	C28H46N10O12S	746.3018	NA	PeJP	NA	NA
+PJ026312	GSPDWW 	C36H42N8O10	746.3024	NA	PeJP	NA	NA
+MJ092896	17-Hydroxydihydromyrsinol; 3,14-Bis(3-pyridinecarbonyl), 7-(2-methylpropanoyl), 5,15-di-Ac 	C40H46N2O12	746.305074	NA	MeJP	NA	NA
+PJ026313	GPQEMW 	C33H46N8O10S	746.3058	NA	PeJP	NA	NA
+PJ026314	MHHHW 	C34H42N12O6S	746.3071	NA	PeJP	NA	NA
+PJ026315	VNQEEE 	C29H46N8O15	746.3083	NA	PeJP	NA	NA
+PJ026316	SLEMMH 	C30H50N8O10S2	746.3092	NA	PeJP	NA	NA
+PJ026317	STEHHH 	C30H42N12O11	746.3096	NA	PeJP	NA	NA
+PJ026318	GGGGPEHH 	C30H42N12O11	746.3097	NA	PeJP	NA	NA
+PJ026319	CLYYW 	C38H46N6O8S	746.3098	NA	PeJP	NA	NA
+PJ026320	ATTEYY 	C34H46N6O13	746.3123	NA	PeJP	NA	NA
+PJ026321	GSSTCHR 	C27H46N12O11S	746.313	NA	PeJP	NA	NA
+PJ026322	GVMMFY 	C35H50N6O8S2	746.3132	NA	PeJP	NA	NA
+PJ026323	NNQWW 	C35H42N10O9	746.3136	NA	PeJP	NA	NA
+PJ026324	GGNQWW 	C35H42N10O9	746.3137	NA	PeJP	NA	NA
+MJ092897	14,15?-Epoxyprieurianin 	C38H50O15	746.31497	NA	MeJP	NA	NA
+PJ026325	PLEEEM 	C31H50N6O13S	746.3157	NA	PeJP	NA	NA
+PJ026326	GPCERW 	C32H46N10O9S	746.317	NA	PeJP	NA	NA
+PJ026327	GQEEER 	C28H46N10O14	746.3195	NA	PeJP	NA	NA
+PJ026328	GGGGGADKE 	C28H46N10O14	746.3196	NA	PeJP	NA	NA
+PJ026329	GSPPCMR 	C29H50N10O9S2	746.3204	NA	PeJP	NA	NA
+PJ026330	PQMWW 	C37H46N8O7S	746.321	NA	PeJP	NA	NA
+PJ026331	GAPMWW 	C37H46N8O7S	746.3211	NA	PeJP	NA	NA
+PJ026332	SPTQEW 	C33H46N8O12	746.3235	NA	PeJP	NA	NA
+PJ026333	GVQEEW 	C33H46N8O12	746.3236	NA	PeJP	NA	NA
+PJ026334	MMFRY 	C34H50N8O7S2	746.3244	NA	PeJP	NA	NA
+PJ026335	GPNHHW 	C34H42N12O8	746.3249	NA	PeJP	NA	NA
+PJ026336	PNKEEM 	C30H50N8O12S	746.3269	NA	PeJP	NA	NA
+PJ026337	AAPYYY 	C38H46N6O10	746.3276	NA	PeJP	NA	NA
+PJ026338	VVMMMH 	C31H54N8O7S3	746.3278	NA	PeJP	NA	NA
+PJ026339	GCQHFR 	C31H46N12O8S	746.3283	NA	PeJP	NA	NA
+PJ026340	SSSSSHR 	C27H46N12O13	746.3307	NA	PeJP	NA	NA
+PJ026341	GDDERR 	C27H46N12O13	746.3308	NA	PeJP	NA	NA
+PJ026342	GTLMYY 	C35H50N6O10S	746.3309	NA	PeJP	NA	NA
+PJ026343	TCCKHR 	C28H50N12O8S2	746.3316	NA	PeJP	NA	NA
+PJ026344	PCRWW 	C36H46N10O6S	746.3323	NA	PeJP	NA	NA
+PJ026345	VLEEEE 	C31H50N6O15	746.3335	NA	PeJP	NA	NA
+PJ026346	QEERW 	C32H46N10O11	746.3348	NA	PeJP	NA	NA
+PJ026347	SPQEMR 	C29H50N10O11S	746.3381	NA	PeJP	NA	NA
+PJ026348	PTNEMR 	C29H50N10O11S	746.3382	NA	PeJP	NA	NA
+PJ026349	VQEWW 	C37H46N8O9	746.3388	NA	PeJP	NA	NA
+MJ092898	Hedamycin 	C41H50N2O11	746.34146	NA	MeJP	NA	NA
+C15759	Hedamycin	C41H50N2O11	746.3415	NA	KEGG	NA	NA
+PJ026350	GPKEMW 	C34H50N8O9S	746.3422	NA	PeJP	NA	NA
+PJ026351	TFFFW 	C42H46N6O7	746.3428	NA	PeJP	NA	NA
+PJ026352	VNKEEE 	C30H50N8O14	746.3447	NA	PeJP	NA	NA
+MJ092899	3-O-?-L-Arabinofuranosyl-D-xylose; ?-Pyranose-form, Me glycoside, pentabenzyl 	C46H50O9	746.345483	NA	MeJP	NA	NA
+PJ026353	PLQQMM 	C31H54N8O9S2	746.3455	NA	PeJP	NA	NA
+PJ026354	GSPPKMM 	C31H54N8O9S2	746.3456	NA	PeJP	NA	NA
+PJ026355	DDRRW 	C31H46N12O10	746.346	NA	PeJP	NA	NA
+PJ026356	GVMFFF 	C39H50N6O7S	746.3462	NA	PeJP	NA	NA
+PJ026357	STTLYY 	C35H50N6O12	746.3487	NA	PeJP	NA	NA
+PJ026358	SPCERR 	C28H50N12O10S	746.3494	NA	PeJP	NA	NA
+PJ026359	AERWW 	C36H46N10O8	746.35	NA	PeJP	NA	NA
+PJ026360	GGGGKWW 	C36H46N10O8	746.3501	NA	PeJP	NA	NA
+PJ026361	GPTMRW 	C33H50N10O8S	746.3534	NA	PeJP	NA	NA
+PJ026362	GLWWW 	C41H46N8O6	746.3541	NA	PeJP	NA	NA
+PJ026363	GKEEER 	C29H50N10O13	746.3559	NA	PeJP	NA	NA
+PJ026364	PVNMMR 	C30H54N10O8S2	746.3568	NA	PeJP	NA	NA
+PJ026365	SPNHHR 	C30H46N14O9	746.3572	NA	PeJP	NA	NA
+PJ026366	GGSPHHR 	C30H46N14O9	746.3573	NA	PeJP	NA	NA
+PJ026367	PKMWW 	C38H50N8O6S	746.3574	NA	PeJP	NA	NA
+PJ026368	GVKEEW 	C34H50N8O11	746.3599	NA	PeJP	NA	NA
+PJ026369	GGGAPLEF 	C34H50N8O11	746.36	NA	PeJP	NA	NA
+PJ026370	GNNMRR 	C27H50N14O9S	746.3606	NA	PeJP	NA	NA
+PJ026371	GLHHHF 	C35H46N12O7	746.3613	NA	PeJP	NA	NA
+PJ026372	PDKKEM 	C31H54N8O11S	746.3633	NA	PeJP	NA	NA
+PJ026373	AALFYY 	C39H50N6O9	746.3639	NA	PeJP	NA	NA
+PJ026374	GVVFYY 	C39H50N6O9	746.364	NA	PeJP	NA	NA
+PJ026375	GCKHFR 	C32H50N12O7S	746.3647	NA	PeJP	NA	NA
+PJ026376	SVDDRR 	C28H50N12O12	746.3671	NA	PeJP	NA	NA
+PJ026377	GTEERR 	C28H50N12O12	746.3672	NA	PeJP	NA	NA
+MJ092900	Pandicine 	C44H50N4O7	746.367949	NA	MeJP	NA	NA
+PJ026378	GPMMRR 	C29H54N12O7S2	746.368	NA	PeJP	NA	NA
+PJ026379	KEERW 	C33H50N10O10	746.3712	NA	PeJP	NA	NA
+PJ026380	SPKEMR 	C30H54N10O10S	746.3745	NA	PeJP	NA	NA
+PJ026381	GGVVEMR 	C30H54N10O10S	746.3746	NA	PeJP	NA	NA
+PJ026382	VKEWW 	C38H50N8O8	746.3752	NA	PeJP	NA	NA
+PJ026383	SSNQRR 	C27H50N14O11	746.3784	NA	PeJP	NA	NA
+PJ026384	SPVKMW 	C35H54N8O8S	746.3786	NA	PeJP	NA	NA
+PJ026385	VDKKEE 	C31H54N8O13	746.3811	NA	PeJP	NA	NA
+PJ026386	PLQKMM 	C32H58N8O8S2	746.3819	NA	PeJP	NA	NA
+PJ026387	TERRW 	C32H50N12O9	746.3824	NA	PeJP	NA	NA
+3510	ACE inhibitor (b-CN 193-198)	YQQPVL	746.383	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ026388	PLLEEF 	C36H54N6O11	746.3851	NA	PeJP	NA	NA
+PJ026389	GVEMRR 	C29H54N12O9S	746.3858	NA	PeJP	NA	NA
+PJ026390	SLRWW 	C37H50N10O7	746.3864	NA	PeJP	NA	NA
+MJ092901	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2,3-Di-O-acetyl-6-deoxy-?-L-allopyranoside) 	C40H58O13	746.387741	NA	MeJP	NA	NA
+MJ092902	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, 16-O-(2,4-Di-O-acetyl-6-deoxy-?-L-allopyranoside) 	C40H58O13	746.387741	NA	MeJP	NA	NA
+MJ092903	24,25-Epoxy-3,15,23-trihydroxy-7-cycloarten-16-one, 23-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) 	C40H58O13	746.387741	NA	MeJP	NA	NA
+MJ092904	Spirostane-2,3,5,6,24-pentol, 3-Benzoyl, 2-O-?-D-glucopyranoside 	C40H58O13	746.387741	NA	MeJP	NA	NA
+PJ026391	LLLEEM 	C33H58N6O11S	746.3885	NA	PeJP	NA	NA
+MJ092905	2-Polyprenyl-1,4-benzenediol; 2-Heptaprenyl-1,4-benzenediol, Disulfate 	C41H62O8S2	746.38861	NA	MeJP	NA	NA
+PJ026392	AALMRW 	C34H54N10O7S	746.3898	NA	PeJP	NA	NA
+PJ026393	SVKEER 	C30H54N10O12	746.3923	NA	PeJP	NA	NA
+PJ026394	PCLKMR 	C31H58N10O7S2	746.3932	NA	PeJP	NA	NA
+PJ026395	GLQHHR 	C31H50N14O8	746.3936	NA	PeJP	NA	NA
+PJ026396	GGALHHR 	C31H50N14O8	746.3937	NA	PeJP	NA	NA
+PJ026397	ATLKEW 	C35H54N8O10	746.3963	NA	PeJP	NA	NA
+PJ026398	EMRRR 	C28H54N14O8S	746.397	NA	PeJP	NA	NA
+PJ026399	VLQKEM 	C32H58N8O10S	746.3997	NA	PeJP	NA	NA
+PJ026400	VMRRW 	C33H54N12O6S	746.401	NA	PeJP	NA	NA
+PJ026401	SSLERR 	C29H54N12O11	746.4035	NA	PeJP	NA	NA
+PJ026402	AAHHRR 	C30H50N16O7	746.4049	NA	PeJP	NA	NA
+PJ026403	ATTLRW 	C34H54N10O9	746.4075	NA	PeJP	NA	NA
+PJ026404	SSVLRW 	C34H54N10O9	746.4076	NA	PeJP	NA	NA
+PJ026405	ALKEMR 	C31H58N10O9S	746.4109	NA	PeJP	NA	NA
+PJ026406	GPLKFW 	C39H54N8O7	746.4116	NA	PeJP	NA	NA
+PJ026407	SSNKRR 	C28H54N14O10	746.4148	NA	PeJP	NA	NA
+PJ026408	GLLKMW 	C36H58N8O7S	746.415	NA	PeJP	NA	NA
+PJ026409	GSTLLKE 	C32H58N8O12	746.4174	NA	PeJP	NA	NA
+PJ026410	TLKKEE 	C32H58N8O12	746.4175	NA	PeJP	NA	NA
+MJ092906	Ferulenoloxyferulenol 	C48H58O7	746.418254	NA	MeJP	NA	NA
+PJ026411	PLKKMM 	C33H62N8O7S2	746.4183	NA	PeJP	NA	NA
+PJ026412	GPVRRY 	C33H54N12O8	746.4188	NA	PeJP	NA	NA
+3500	ACE inhibitor from as1-casein	YKVPQL	746.419	ACE inhibitor	Inhouse_peptide	NA	peptide
+3346	ACE inhibitor	IKPLNY	746.4199	celiac toxic	Inhouse_peptide	NA	peptide
+PJ026413	PLLLEY 	C37H58N6O10	746.4215	NA	PeJP	NA	NA
+PJ026414	ATLMRR 	C30H58N12O8S	746.4222	NA	PeJP	NA	NA
+C11958	Avermectin A2b monosaccharide	C41H62O12	746.4241	NA	KEGG	NA	NA
+C11973	Avermectin B2a monosaccharide	C41H62O12	746.4241	NA	KEGG	NA	NA
+PJ026415	TTLKER 	C31H58N10O11	746.4287	NA	PeJP	NA	NA
+PJ026416	PRRRY 	C32H54N14O7	746.43	NA	PeJP	NA	NA
+PJ026417	STLLKW 	C36H58N8O9	746.4327	NA	PeJP	NA	NA
+PJ026418	GCKKRR 	C29H58N14O7S	746.4334	NA	PeJP	NA	NA
+PJ026419	VLKKEM 	C33H62N8O9S	746.4361	NA	PeJP	NA	NA
+PJ026420	TTTLRR 	C30H58N12O10	746.4399	NA	PeJP	NA	NA
+PJ026421	GTKKKW 	C35H58N10O8	746.4439	NA	PeJP	NA	NA
+PJ026422	GAALLFR 	C35H58N10O8	746.444	NA	PeJP	NA	NA
+MJ092907	Cholestane-3,4,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?3)-?-L-arabinofuranoside] 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092908	Cholestane-3,4,6,8,15,24-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092909	Cholestane-3,4,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092910	Cholestane-3,4,6,8,15,24-hexol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092911	Cholestane-3,5,6,8,15,24-hexol, 24-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-L-arabinofuranoside] 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092912	Cholestane-3,5,6,8,15,24-hexol, 3-O-(2-O-Methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092913	Cholestane-3,5,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-arabinofuranoside] 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092914	Cholestane-3,6,7,8,15,24-hexol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-methyl-?-D-xylopyranoside] 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092915	Cholestane-3,6,8,15,24-pentol, 3-O-?-D-Xylopyranoside, 24-O-?-D-glucopyranoside 	C38H66O14	746.445256	NA	MeJP	NA	NA
+MJ092916	Stenopaluside 	C38H66O14	746.445256	NA	MeJP	NA	NA
+PJ026423	SLLKMR 	C32H62N10O8S	746.4473	NA	PeJP	NA	NA
+PJ026424	SSSLLLK 	C33H62N8O11	746.4538	NA	PeJP	NA	NA
+PJ026425	GVLFRR 	C34H58N12O7	746.4552	NA	PeJP	NA	NA
+PJ026426	LLLLEF 	C38H62N6O9	746.4579	NA	PeJP	NA	NA
+PJ026427	GKKKMR 	C31H62N12O7S	746.4585	NA	PeJP	NA	NA
+MJ092917	3-Hydroxy-12,18-ursadien-28-oic acid, 3-O-(Rhamnosylrhamnoside) 	C42H66O11	746.460512	NA	MeJP	NA	NA
+MJ092918	Antibiotic CP 44161 	C42H66O11	746.460512	NA	MeJP	NA	NA
+PJ026428	SKKKKE 	C32H62N10O10	746.4651	NA	PeJP	NA	NA
+PJ026429	LFRRR 	C33H58N14O6	746.4664	NA	PeJP	NA	NA
+PJ026430	PVLKKY 	C37H62N8O8	746.4691	NA	PeJP	NA	NA
+MJ092919	3,4-Dihydroxyplectaniaxanthin; 2'-O-L-Rhamnopyranoside 	C46H66O8	746.475769	NA	MeJP	NA	NA
+MJ092920	Myxol; 2'-O-Glucopyranoside 	C46H66O8	746.475769	NA	MeJP	NA	NA
+PJ026431	STKKKR 	C31H62N12O9	746.4763	NA	PeJP	NA	NA
+PJ026432	ALLKFR 	C36H62N10O7	746.4803	NA	PeJP	NA	NA
+PJ026433	CLKKKK 	C33H66N10O7S	746.4837	NA	PeJP	NA	NA
+PJ026434	LLLLLY 	C39H66N6O8	746.4942	NA	PeJP	NA	NA
+MJ092921	Antibiotic C 076; Antibiotic C 076Ia 	C43H70O10	746.496898	NA	MeJP	NA	NA
+MetaCyc04093	1-18:3-2-16:3-monogalactosyldiacylglycerol []	C43H70O10	746.496898	NA	metacyc	NA	NA
+MJ092922	1-De-L-lysine-2-[N2(2,6-diaminohexyl)-L-lysine]neuromedin N (pig spinal cord) 	C38H66N8O7	746.505446	NA	MeJP	NA	NA
+PJ026435	VLLKKF 	C38H66N8O7	746.5055	NA	PeJP	NA	NA
+MJ092923	Bistramide A; 39-Ac 	C42H70N2O9	746.508131	NA	MeJP	NA	NA
+HMDB10575	PG(16:0/18:2(9Z,12Z))	C40H75O10P	746.509766	NA	HMDB2010	NA	NA
+HMDB10588	PG(16:1(9Z)/18:1(11Z))	C40H75O10P	746.509766	NA	HMDB2010	NA	NA
+HMDB10589	PG(16:1(9Z)/18:1(9Z))	C40H75O10P	746.509766	NA	HMDB2010	NA	NA
+HMDB10616	PG(18:1(11Z)/16:1(9Z))	C40H75O10P	746.509766	NA	HMDB2010	NA	NA
+HMDB10631	PG(18:1(9Z)/16:1(9Z))	C40H75O10P	746.509766	NA	HMDB2010	NA	NA
+HMDB10645	PG(18:2(9Z,12Z)/16:0)	C40H75O10P	746.509766	NA	HMDB2010	NA	NA
+MJ092924	Azralidol; O-[?-L-Rhamnopyranosyl(1?6)-?-D-glucopyranoside] 	C40H74O12	746.518027	NA	MeJP	NA	NA
+MJ092925	Dolastatin H 	C41H70N4O8	746.519365	NA	MeJP	NA	NA
+MJ092926	Isodolastatin H 	C41H70N4O8	746.519365	NA	MeJP	NA	NA
+EUR1085	SM(d18:1/18:3) [M+Na]+	C41H77N2O6P	746.533872	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1085	SM(d18:1/18:3) [M+Na]+	C41H77N2O6P	746.533872	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1085	SM(d18:1/18:3) [M+Na]+	C41H77N2O6P	746.533872	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1085	SM(d18:1/18:3) [M+Na]+	C41H77N2O6P	746.533872	masses lipides attendues	Inhousejuil11	NA	NA
+C13894	1-O-Hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	C42H85NO7P	746.6064	NA	KEGG	NA	NA
+EUR1051	SM(d18:0/20:0) [M-H-CH3]-	C43H89N2O6P	746.630176	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1051	SM(d18:0/20:0) [M-H-CH3]-	C43H89N2O6P	746.630176	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1051	SM(d18:0/20:0) [M-H-CH3]-	C43H89N2O6P	746.630176	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1051	SM(d18:0/20:0) [M-H-CH3]-	C43H89N2O6P	746.630176	masses lipides attendues	Inhousejuil11	NA	NA
+MJ092927	26-Methyloctacosanoic acid; Docosyl ester 	C51H102O2	746.787982	NA	MeJP	NA	NA
+MJ092928	Iotriside 	C16H20I3N3O7	746.84353	NA	MeJP	NA	NA
+4002	Substance P	RPKPQQFFFGLM~	746.8902	MH2+	Inhouse_peptide	NA	peptide
+PJ026436	SCCCCDD 	C23H37N7O13S4	747.1332	NA	PeJP	NA	NA
+PJ026437	GCCCCEM 	C24H41N7O10S5	747.1519	NA	PeJP	NA	NA
+PJ026438	CCCCMW 	C28H41N7O7S5	747.1671	NA	PeJP	NA	NA
+PJ026439	SSCCCDM 	C24H41N7O12S4	747.1696	NA	PeJP	NA	NA
+FL7AACGA0013	Cyanidin 3-O-(2''-O-galloyl-6''-O-alpha-rhamnopyranosyl-beta-galactopyranoside	C34H35O19	747.17725	637775-65-6	knapsack	NA	NA
+FL7AACGL0039	Cyanidin 3-(2G-galloylrutinoside)	C34H35O19	747.17725	140447-91-2	knapsack	NA	NA
+PJ026440	GPCCCCY 	C28H41N7O9S4	747.1849	NA	PeJP	NA	NA
+PJ026441	GTCCCMM 	C25H45N7O9S5	747.1883	NA	PeJP	NA	NA
+PJ026442	CCNDMY 	C28H41N7O11S3	747.2026	NA	PeJP	NA	NA
+PJ026443	GACCCEY 	C28H41N7O11S3	747.2027	NA	PeJP	NA	NA
+PJ026444	SSSCCMM 	C25H45N7O11S4	747.206	NA	PeJP	NA	NA
+PJ026445	GSCDDDH 	C26H37N9O15S	747.213	NA	PeJP	NA	NA
+PJ026446	GPCCCEH 	C27H41N9O10S3	747.2139	NA	PeJP	NA	NA
+PJ026447	ACCCYW 	C32H41N7O8S3	747.2179	NA	PeJP	NA	NA
+PJ026448	GPDDDDD 	C27H37N7O18	747.2195	NA	PeJP	NA	NA
+PJ026449	GSSCCEY 	C28H41N7O13S2	747.2204	NA	PeJP	NA	NA
+PJ026450	CCNMMF 	C29H45N7O8S4	747.2213	NA	PeJP	NA	NA
+PJ026451	PCCCHW 	C31H41N9O7S3	747.2291	NA	PeJP	NA	NA
+PJ026452	CNDEMH 	C27H41N9O12S2	747.2316	NA	PeJP	NA	NA
+PJ026453	SSCCYW 	C32H41N7O10S2	747.2357	NA	PeJP	NA	NA
+PJ026454	SSSSCDY 	C28H41N7O15S	747.2381	NA	PeJP	NA	NA
+PJ026455	SPPCDDD 	C28H41N7O15S	747.2382	NA	PeJP	NA	NA
+PJ026456	SCNMMY 	C29H45N7O10S3	747.239	NA	PeJP	NA	NA
+PJ026457	CCDDHR 	C26H41N11O11S2	747.2429	NA	PeJP	NA	NA
+MJ092929	Ecteinascidin 743; N12-De-Me 	C38H41N3O11S	747.246179	NA	MeJP	NA	NA
+PJ026458	GCDMHW 	C31H41N9O9S2	747.2469	NA	PeJP	NA	NA
+PJ026459	GSSDDMH 	C27H41N9O14S	747.2494	NA	PeJP	NA	NA
+PJ026460	TCCCRY 	C28H45N9O9S3	747.2503	NA	PeJP	NA	NA
+PJ026461	GCNEYY 	C32H41N7O12S	747.2534	NA	PeJP	NA	NA
+PJ026462	GSPDDEE 	C28H41N7O17	747.2559	NA	PeJP	NA	NA
+PJ026463	GSSTCMY 	C29H45N7O12S2	747.2568	NA	PeJP	NA	NA
+PJ026464	SSSCNNH 	C26H41N11O13S	747.2606	NA	PeJP	NA	NA
+PJ026465	SSCEHW 	C31H41N9O11S	747.2647	NA	PeJP	NA	NA
+PJ026466	SSSSDEH 	C27H41N9O16	747.2671	NA	PeJP	NA	NA
+PJ026467	NNNEEE 	C27H41N9O16	747.2672	NA	PeJP	NA	NA
+PJ026468	SNEMMH 	C28H45N9O11S2	747.268	NA	PeJP	NA	NA
+PJ026469	CNYYW 	C36H41N7O9S	747.2687	NA	PeJP	NA	NA
+PJ026470	SPDDEW 	C32H41N7O14	747.2712	NA	PeJP	NA	NA
+PJ026471	GCQMFY 	C33H45N7O9S2	747.272	NA	PeJP	NA	NA
+PJ026472	PPCDMW 	C33H45N7O9S2	747.2721	NA	PeJP	NA	NA
+MJ092930	Perdeacylchuchuhuanine; 1,2,8,9,14-Penta-Ac 	C36H45NO16	747.273834	NA	MeJP	NA	NA
+MJ092931	Perdeacylchuchuhuanine; 1,6,8,9,14-Penta-Ac 	C36H45NO16	747.273834	NA	MeJP	NA	NA
+PJ026473	SSSSSMY 	C29H45N7O14S	747.2745	NA	PeJP	NA	NA
+PJ026474	PNEEEM 	C29H45N7O14S	747.2746	NA	PeJP	NA	NA
+PJ026475	TCCKMY 	C30H49N7O9S3	747.2754	NA	PeJP	NA	NA
+PJ026476	CNNNHF 	C30H41N11O10S	747.2759	NA	PeJP	NA	NA
+MJ092932	Maytanbicyclinol 	C36H46ClN3O12	747.277001	NA	MeJP	NA	NA
+PJ026477	NNDDDR 	C26H41N11O15	747.2784	NA	PeJP	NA	NA
+PJ026478	SCDMHR 	C27H45N11O10S2	747.2793	NA	PeJP	NA	NA
+PJ026479	GNNEEW 	C31H41N9O13	747.2824	NA	PeJP	NA	NA
+PJ026480	GSMMHW 	C32H45N9O8S2	747.2833	NA	PeJP	NA	NA
+MJ092933	Cephabacin H; Cephabacin H4, N27-L-Seryl 	C28H45N9O13S	747.285753	NA	MeJP	NA	NA
+PJ026481	PDDDMR 	C28H45N9O13S	747.2858	NA	PeJP	NA	NA
+PJ026482	AQMMMH 	C29H49N9O8S3	747.2866	NA	PeJP	NA	NA
+PJ026483	GAAMMMH 	C29H49N9O8S3	747.2867	NA	PeJP	NA	NA
+PJ026484	SCQHHH 	C29H41N13O9S	747.2871	NA	PeJP	NA	NA
+PJ026485	GPEEMW 	C33H45N7O11S	747.2898	NA	PeJP	NA	NA
+PJ026486	VNEEEE 	C29H45N7O16	747.2923	NA	PeJP	NA	NA
+PJ026487	GSPPEMM 	C30H49N7O11S2	747.2932	NA	PeJP	NA	NA
+PJ026488	SNNNNW 	C30H41N11O12	747.2936	NA	PeJP	NA	NA
+PJ026489	GGGGSNNW 	C30H41N11O12	747.2937	NA	PeJP	NA	NA
+PJ026490	GSPCNDR 	C27H45N11O12S	747.297	NA	PeJP	NA	NA
+PJ026491	GGGGGGGGAAM 	C27H45N11O12S	747.2971	NA	PeJP	NA	NA
+PJ026492	NNEWW 	C35H41N9O10	747.2977	NA	PeJP	NA	NA
+PJ026493	ACMMHR 	C28H49N11O7S3	747.2979	NA	PeJP	NA	NA
+PJ026494	SSTMHW 	C32H45N9O10S	747.301	NA	PeJP	NA	NA
+PJ026495	GGGGSPMW 	C32H45N9O10S	747.3011	NA	PeJP	NA	NA
+PJ026496	ADEEER 	C28H45N9O15	747.3035	NA	PeJP	NA	NA
+PJ026497	GEEEER 	C28H45N9O15	747.3036	NA	PeJP	NA	NA
+PJ026498	SDKMMH 	C29H49N9O10S2	747.3044	NA	PeJP	NA	NA
+PJ026499	GSSSHHH 	C29H41N13O11	747.3049	NA	PeJP	NA	NA
+PJ026500	PEMWW 	C37H45N7O8S	747.3051	NA	PeJP	NA	NA
+PJ026501	SSTQYY 	C33H45N7O13	747.3075	NA	PeJP	NA	NA
+PJ026502	GVEEEW 	C33H45N7O13	747.3076	NA	PeJP	NA	NA
+PJ026503	CNNNQR 	C26H45N13O11S	747.3082	NA	PeJP	NA	NA
+PJ026504	GGCNNQR 	C26H45N13O11S	747.3083	NA	PeJP	NA	NA
+PJ026505	SPPMMW 	C34H49N7O8S2	747.3084	NA	PeJP	NA	NA
+PJ026506	GPDHHW 	C34H41N11O9	747.3089	NA	PeJP	NA	NA
+MJ092934	Antibiotic YL 01641P-B2; 4-Me ether 	C37H49NO15	747.310219	NA	MeJP	NA	NA
+PJ026507	PDKEEM 	C30H49N7O13S	747.3109	NA	PeJP	NA	NA
+PJ026508	AAPPMMM 	C31H53N7O8S3	747.3118	NA	PeJP	NA	NA
+PJ026509	GCEHFR 	C31H45N11O9S	747.3123	NA	PeJP	NA	NA
+PJ026510	GNWWW 	C39H41N9O7	747.3129	NA	PeJP	NA	NA
+MJ092935	Trewiasine; 2'',3''-Didehydro 	C37H50ClN3O11	747.313387	NA	MeJP	NA	NA
+PJ026511	SNNEER 	C27H45N11O14	747.3148	NA	PeJP	NA	NA
+PJ026512	SSMMHR 	C28H49N11O9S2	747.3156	NA	PeJP	NA	NA
+PJ026513	GGPCQMR 	C28H49N11O9S2	747.3157	NA	PeJP	NA	NA
+PJ026514	QMHFW 	C36H45N9O7S	747.3163	NA	PeJP	NA	NA
+PJ026515	EEERW 	C32H45N9O12	747.3188	NA	PeJP	NA	NA
+PJ026516	GNHHHF 	C33H41N13O8	747.3201	NA	PeJP	NA	NA
+PJ026517	GGGHHHF 	C33H41N13O8	747.3202	NA	PeJP	NA	NA
+PJ026518	SPEEMR 	C29H49N9O12S	747.3222	NA	PeJP	NA	NA
+PJ026519	VEEWW 	C37H45N7O10	747.3228	NA	PeJP	NA	NA
+PJ026520	AKMMMH 	C30H53N9O7S3	747.323	NA	PeJP	NA	NA
+PJ026521	SCKHHH 	C30H45N13O8S	747.3235	NA	PeJP	NA	NA
+PJ026522	GSSNNNR 	C26H45N13O13	747.326	NA	PeJP	NA	NA
+PJ026523	SPVEMW 	C34H49N7O10S	747.3262	NA	PeJP	NA	NA
+PJ026524	PCCNRR 	C27H49N13O8S2	747.3269	NA	PeJP	NA	NA
+PJ026525	CHFRW 	C35H45N11O6S	747.3275	NA	PeJP	NA	NA
+PJ026526	VDKEEE 	C30H49N7O15	747.3287	NA	PeJP	NA	NA
+MJ092936	3-(Methylthio)rifamycin; 16,17,18,19,28,29-Hexahydro, 1,4-Quinone 	C38H53NO12S	747.328846	NA	MeJP	NA	NA
+PJ026527	PLQEMM 	C31H53N7O10S2	747.3296	NA	PeJP	NA	NA
+PJ026528	GSNERW 	C31H45N11O11	747.33	NA	PeJP	NA	NA
+PJ026529	GQQEMR 	C28H49N11O11S	747.3334	NA	PeJP	NA	NA
+PJ026530	NDKWW 	C36H45N9O9	747.334	NA	PeJP	NA	NA
+PJ026531	GGDKWW 	C36H45N9O9	747.3341	NA	PeJP	NA	NA
+PJ026532	GVQQMW 	C33H49N9O9S	747.3374	NA	PeJP	NA	NA
+PJ026533	PPYWW 	C41H45N7O7	747.3381	NA	PeJP	NA	NA
+PJ026534	SVEEER 	C29H49N9O14	747.3399	NA	PeJP	NA	NA
+PJ026535	PVDMMR 	C30H53N9O9S2	747.3408	NA	PeJP	NA	NA
+PJ026536	SPDHHR 	C30H45N13O10	747.3413	NA	PeJP	NA	NA
+PJ026537	APPMFW 	C38H49N7O7S	747.3414	NA	PeJP	NA	NA
+PJ026538	PPVCFW 	C38H49N7O7S	747.3415	NA	PeJP	NA	NA
+PJ026539	ATLEEW 	C34H49N7O12	747.3439	NA	PeJP	NA	NA
+PJ026540	PPDKEY 	C34H49N7O12	747.344	NA	PeJP	NA	NA
+PJ026541	GNDMRR 	C27H49N13O10S	747.3446	NA	PeJP	NA	NA
+PJ026542	GGGDMRR 	C27H49N13O10S	747.3447	NA	PeJP	NA	NA
+PJ026543	APLMMW 	C35H53N7O7S2	747.3448	NA	PeJP	NA	NA
+PJ026544	SNRWW 	C35H45N11O8	747.3453	NA	PeJP	NA	NA
+PJ026545	VLQEEM 	C31H53N7O12S	747.3473	NA	PeJP	NA	NA
+3511	ACE inhibitor (b-CN 108-113)	EMPFPK	747.3484	ACE inhibitor	Inhouse_peptide	NA	peptide
+7502	ACE inhibitor from b-CN	EMPFPK	747.3484	antioxidative	Inhouse_peptide	NA	peptide
+PJ026546	QQMRW 	C32H49N11O8S	747.3486	NA	PeJP	NA	NA
+PJ026547	GAQMRW 	C32H49N11O8S	747.3487	NA	PeJP	NA	NA
+3127	exorphin from bovine alpha-S1-casein fr:194-199	TTMPLW	747.3494	celiac toxic	Inhouse_peptide	NA	peptide
+3530	ACE inhibitor (fr, of as1-casein, 194-199)	TTMPLW	747.3494	ACE inhibitor	Inhouse_peptide	NA	peptide
+8172	peptide derived from bovine aS1-casein (194-199)	TTMPLW	747.3494	antibacterial	Inhouse_peptide	NA	peptide
+MJ092937	Maytansine; N-De-Ac, N2'-(3-methylpentanoyl) 	C38H54ClN3O10	747.349772	NA	MeJP	NA	NA
+PJ026548	ASTNNNK 	C28H49N11O13	747.3511	NA	PeJP	NA	NA
+PJ026549	SNDKER 	C28H49N11O13	747.3512	NA	PeJP	NA	NA
+PJ026550	PCNKMR 	C29H53N11O8S2	747.352	NA	PeJP	NA	NA
+PJ026551	GNQHHR 	C29H45N15O9	747.3525	NA	PeJP	NA	NA
+PJ026552	KMHFW 	C37H49N9O6S	747.3527	NA	PeJP	NA	NA
+PJ026553	GTQKEW 	C33H49N9O11	747.3552	NA	PeJP	NA	NA
+MJ092938	Respirantin 	C37H53N3O13	747.357838	NA	MeJP	NA	NA
+PJ026554	GSPTQKM 	C30H53N9O11S	747.3585	NA	PeJP	NA	NA
+PJ026555	ALEEMR 	C30H53N9O11S	747.3586	NA	PeJP	NA	NA
+PJ026556	SPPVYW 	C38H49N7O9	747.3592	NA	PeJP	NA	NA
+PJ026557	CQRRW 	C31H49N13O7S	747.3599	NA	PeJP	NA	NA
+PJ026558	SSNERR 	C27H49N13O12	747.3624	NA	PeJP	NA	NA
+PJ026559	GLLEMW 	C35H53N7O9S	747.3626	NA	PeJP	NA	NA
+PJ026560	TLKEEE 	C31H53N7O14	747.3651	NA	PeJP	NA	NA
+PJ026561	GSPLLMM 	C32H57N7O9S2	747.3659	NA	PeJP	NA	NA
+PJ026562	PLKEMM 	C32H57N7O9S2	747.366	NA	PeJP	NA	NA
+PJ026563	GSDKRW 	C32H49N11O10	747.3664	NA	PeJP	NA	NA
+7662	ACE inhibitor from b-CN (193-198)	YQEPVL	747.367	antioxidative	Inhouse_peptide	NA	peptide
+PJ026564	GQKEMR 	C29H53N11O10S	747.3698	NA	PeJP	NA	NA
+PJ026565	TQKWW 	C37H49N9O8	747.3704	NA	PeJP	NA	NA
+PJ026566	GGALHFF 	C37H49N9O8	747.3705	NA	PeJP	NA	NA
+PJ026567	GVQKMW 	C34H53N9O8S	747.3738	NA	PeJP	NA	NA
+PJ026568	PLFWW 	C42H49N7O6	747.3745	NA	PeJP	NA	NA
+PJ026569	TTLEER 	C30H53N9O13	747.3763	NA	PeJP	NA	NA
+PJ026570	PTLMMR 	C31H57N9O8S2	747.3772	NA	PeJP	NA	NA
+PJ026571	AQQKHH 	C31H49N13O9	747.3776	NA	PeJP	NA	NA
+PJ026572	GSSRRW 	C31H49N13O9	747.3777	NA	PeJP	NA	NA
+PJ026573	LLMWW 	C39H53N7O6S	747.3778	NA	PeJP	NA	NA
+PJ026574	STLLEW 	C35H53N7O11	747.3803	NA	PeJP	NA	NA
+PJ026575	GTQMRR 	C28H53N13O9S	747.381	NA	PeJP	NA	NA
+PJ026576	GVLHHW 	C36H49N11O7	747.3817	NA	PeJP	NA	NA
+PJ026577	VLKEEM 	C32H57N7O11S	747.3837	NA	PeJP	NA	NA
+PJ026578	QKMRW 	C33H53N11O7S	747.385	NA	PeJP	NA	NA
+PJ026579	GAKMRW 	C33H53N11O7S	747.3851	NA	PeJP	NA	NA
+PJ026580	STQKER 	C29H53N11O12	747.3875	NA	PeJP	NA	NA
+PJ026581	GGASSTLR 	C29H53N11O12	747.3876	NA	PeJP	NA	NA
+PJ026582	GNKHHR 	C30H49N15O8	747.3889	NA	PeJP	NA	NA
+PJ026583	GTKKEW 	C34H53N9O10	747.3916	NA	PeJP	NA	NA
+PJ026584	GTCRRR 	C27H53N15O8S	747.3923	NA	PeJP	NA	NA
+PJ026585	LHHRW 	C35H49N13O6	747.3929	NA	PeJP	NA	NA
+PJ026586	SLLEMR 	C31H57N9O10S	747.3949	NA	PeJP	NA	NA
+PJ026587	GGVKKEM 	C31H57N9O10S	747.395	NA	PeJP	NA	NA
+PJ026588	GPLLYW 	C39H53N7O8	747.3956	NA	PeJP	NA	NA
+PJ026589	CKRRW 	C32H53N13O6S	747.3963	NA	PeJP	NA	NA
+PJ026590	SSDKRR 	C28H53N13O11	747.3988	NA	PeJP	NA	NA
+PJ026591	SVLLMW 	C36H57N7O8S	747.399	NA	PeJP	NA	NA
+PJ026592	SSSLLLE 	C32H57N7O13	747.4015	NA	PeJP	NA	NA
+PJ026593	LLLQMM 	C33H61N7O8S2	747.4023	NA	PeJP	NA	NA
+PJ026594	GTTKRW 	C33H53N11O9	747.4028	NA	PeJP	NA	NA
+7818	ACE inhibitor from mushroom Tricholoma giganteum	VIEKYP	747.403	antibacterial	Inhouse_peptide	NA	peptide
+MJ092939	Fumonisin A1; 10-Deoxy 	C36H61NO15	747.40412	NA	MeJP	NA	NA
+PJ026595	GKKEMR 	C30H57N11O9S	747.4062	NA	PeJP	NA	NA
+PJ026596	TKKWW 	C38H53N9O7	747.4068	NA	PeJP	NA	NA
+PJ026597	SSSRRR 	C27H53N15O10	747.41	NA	PeJP	NA	NA
+PJ026598	GVKKMW 	C35H57N9O7S	747.4102	NA	PeJP	NA	NA
+PJ026599	SKKKEE 	C31H57N9O12	747.4127	NA	PeJP	NA	NA
+PJ026600	VVLMMR 	C32H61N9O7S2	747.4136	NA	PeJP	NA	NA
+PJ026601	AAQFRR 	C32H53N13O8	747.414	NA	PeJP	NA	NA
+3365	ACE inhibitor	FQKVVAG	747.414	celiac toxic	Inhouse_peptide	NA	peptide
+PJ026602	GGGVFRR 	C32H53N13O8	747.4141	NA	PeJP	NA	NA
+PJ026603	PVLKEY 	C36H57N7O10	747.4167	NA	PeJP	NA	NA
+27	Hemoglobin	FQKVVAG	747.417	celiac toxic	Inhouse_peptide	NA	peptide
+PJ026604	GTKMRR 	C29H57N13O8S	747.4174	NA	PeJP	NA	NA
+PJ026605	GTTLLLM 	C33H61N7O10S	747.4201	NA	PeJP	NA	NA
+PJ026606	KKMRW 	C34H57N11O6S	747.4214	NA	PeJP	NA	NA
+PJ026607	STKKER 	C30H57N11O11	747.4239	NA	PeJP	NA	NA
+PJ026608	NFRRR 	C31H53N15O7	747.4253	NA	PeJP	NA	NA
+PJ026609	SSLKKW 	C35H57N9O9	747.4279	NA	PeJP	NA	NA
+PJ026610	SPLLRY 	C35H57N9O9	747.428	NA	PeJP	NA	NA
+PJ026611	VDKKKM 	C32H61N9O9S	747.4313	NA	PeJP	NA	NA
+PJ026612	GLLLFW 	C40H57N7O7	747.432	NA	PeJP	NA	NA
+PJ026613	STTKRR 	C29H57N13O10	747.4352	NA	PeJP	NA	NA
+PJ026614	PLLKMF 	C37H61N7O7S	747.4354	NA	PeJP	NA	NA
+PJ026615	STTTLLL 	C33H61N7O12	747.4378	NA	PeJP	NA	NA
+PJ026616	LLLKMM 	C34H65N7O7S2	747.4387	NA	PeJP	NA	NA
+PJ026617	GPKKRY 	C34H57N11O8	747.4392	NA	PeJP	NA	NA
+C06634	Erythromycin E	C37H65NO14	747.4405	NA	KEGG	NA	NA
+MJ092940	Erythromycin E 	C37H65NO14	747.440505	NA	MeJP	NA	NA
+PJ026618	SVKKMR 	C31H61N11O8S	747.4426	NA	PeJP	NA	NA
+PJ026619	GTTTLKK 	C32H61N9O11	747.4491	NA	PeJP	NA	NA
+PJ026620	AAKFRR 	C33H57N13O7	747.4504	NA	PeJP	NA	NA
+PJ026621	VLLLQY 	C37H61N7O9	747.4531	NA	PeJP	NA	NA
+PJ026622	ALLLRY 	C36H61N9O8	747.4643	NA	PeJP	NA	NA
+PJ026623	GGVLKKF 	C36H61N9O8	747.4644	NA	PeJP	NA	NA
+PJ026624	TLKKKM 	C33H65N9O8S	747.4677	NA	PeJP	NA	NA
+PJ026625	GLKKFR 	C35H61N11O7	747.4756	NA	PeJP	NA	NA
+MJ092941	Erythromycin; O6-Me 	C38H69NO13	747.476891	NA	MeJP	NA	NA
+C06912	Clarithromycin	C38H69NO13	747.4769	NA	KEGG	NA	NA
+MJ092942	Microcolin A 	C39H65N5O9	747.478228	NA	MeJP	NA	NA
+PJ026626	VLLLKY 	C38H65N7O8	747.4895	NA	PeJP	NA	NA
+3196	crabolin from venom of European hornet Vespa crabr	FLPLILRKIVTAL~	747.49345	MH2+	Inhouse_peptide	NA	peptide
+PJ026627	VVKKKF 	C37H65N9O7	747.5007	NA	PeJP	NA	NA
+HMDB05780	PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H74NO7P	747.520264	NA	HMDB2010	NA	NA
+HMDB09479	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))	C43H74NO7P	747.520264	NA	HMDB2010	NA	NA
+HMDB09480	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))	C43H74NO7P	747.520264	NA	HMDB2010	NA	NA
+HMDB09708	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)	C43H74NO7P	747.520264	NA	HMDB2010	NA	NA
+HMDB11420	PE(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H74NO7P	747.520264	NA	HMDB2010	NA	NA
+HMDB11453	PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H74NO7P	747.520264	NA	HMDB2010	NA	NA
+EUR1072	SM(d18:1/16:1) [M+FA-H]-	C39H78N2O6P	747.564631	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1072	SM(d18:1/16:1) [M+FA-H]-	C39H78N2O6P	747.564631	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1072	SM(d18:1/16:1) [M+FA-H]-	C39H78N2O6P	747.564631	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1072	SM(d18:1/16:1) [M+FA-H]-	C39H78N2O6P	747.564631	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB05319	GPEtn(16:0/20:0)	C41H82NO8P	747.57782	http://www.hmdb.ca/metabolites/HMDB05319	HMDB	NA	NA
+HMDB05327	GPEtn(18:0/18:0)[U]	C41H82NO8P	747.57782	http://www.hmdb.ca/metabolites/HMDB05327	HMDB	NA	NA
+HMDB05319	GPEtn(16:0/20:0)	C41H82NO8P	747.57782	HMDB05319	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05327	GPEtn(18:0/18:0)[U]	C41H82NO8P	747.57782	HMDB05327	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07937	PC(15:0/18:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB08033	PC(18:0/15:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB08841	PE(14:0/22:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB08932	PE(16:0/20:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB08991	PE(18:0/18:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB09220	PE(20:0/16:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB09481	PE(22:0/14:0)	C41H82NO8P	747.57782	NA	HMDB2010	NA	NA
+HMDB13405	PC(o-16:0/18:0)	C42H86NO7P	747.614197	NA	HMDB2010	NA	NA
+MJ092943	Aplysiatoxin; 19-Bromo 	C32H46Br2O10	748.145772	NA	MeJP	NA	NA
+C16770	19-Bromoaplysiatoxin	C32H46Br2O10	748.1458	NA	KEGG	NA	NA
+PJ026628	SCCCCCQ 	C23H40N8O10S5	748.1471	NA	PeJP	NA	NA
+FL5FACGS0098	Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside;Pachyrrhizin (Euphorbia);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one	C33H32O20	748.14869	277316-77-5	knapsack	NA	NA
+PJ026629	GSSSCCCC 	C23H40N8O12S4	748.1649	NA	PeJP	NA	NA
+PJ026630	GCCCCNF 	C27H40N8O9S4	748.1801	NA	PeJP	NA	NA
+PJ026631	GGGCCCCF 	C27H40N8O9S4	748.1802	NA	PeJP	NA	NA
+PJ026632	SCCCCCK 	C24H44N8O9S5	748.1835	NA	PeJP	NA	NA
+PJ026633	CCDDMY 	C28H40N6O12S3	748.1867	NA	PeJP	NA	NA
+PJ026634	CCMMMM 	C26H48N6O7S6	748.1909	NA	PeJP	NA	NA
+PJ026635	GSCCCNY 	C27H40N8O11S3	748.1979	NA	PeJP	NA	NA
+MJ092944	Julichrome Q3.3; 9-Ketone 	C38H36O16	748.200335	NA	MeJP	NA	NA
+PJ026636	CCDMMF 	C29H44N6O9S4	748.2053	NA	PeJP	NA	NA
+PJ026637	CDDEMH 	C27H40N8O13S2	748.2157	NA	PeJP	NA	NA
+PJ026638	CCDDFF 	C32H40N6O11S2	748.2197	NA	PeJP	NA	NA
+PJ026639	SCDMMY 	C29H44N6O11S3	748.223	NA	PeJP	NA	NA
+PJ026640	CCCHHF 	C30H40N10O7S3	748.2244	NA	PeJP	NA	NA
+PJ026641	GSCCNEH 	C26H40N10O12S2	748.2269	NA	PeJP	NA	NA
+PJ026642	GPCNDDE 	C27H40N8O15S	748.2334	NA	PeJP	NA	NA
+PJ026643	GCDEYY 	C32H40N6O13S	748.2374	NA	PeJP	NA	NA
+PJ026644	ACMMMY 	C30H48N6O8S4	748.2417	NA	PeJP	NA	NA
+PJ026645	SCCNHW 	C30H40N10O9S2	748.2421	NA	PeJP	NA	NA
+PJ026646	GGSCCHW 	C30H40N10O9S2	748.2422	NA	PeJP	NA	NA
+PJ026647	SSSCNDH 	C26H40N10O14S	748.2446	NA	PeJP	NA	NA
+PJ026648	GGSSSCDH 	C26H40N10O14S	748.2447	NA	PeJP	NA	NA
+PJ026649	CNNMMH 	C27H44N10O9S3	748.2455	NA	PeJP	NA	NA
+PJ026650	PCNDDW 	C31H40N8O12S	748.2487	NA	PeJP	NA	NA
+PJ026651	NNDEEE 	C27H40N8O17	748.2512	NA	PeJP	NA	NA
+PJ026652	SDEMMH 	C28H44N8O12S2	748.252	NA	PeJP	NA	NA
+PJ026653	GGSPPCCE 	C28H44N8O12S2	748.2521	NA	PeJP	NA	NA
+PJ026654	CDYYW 	C36H40N6O10S	748.2527	NA	PeJP	NA	NA
+PJ026655	PCMMMH 	C29H48N8O7S4	748.2529	NA	PeJP	NA	NA
+PJ026656	SSDDYY 	C32H40N6O15	748.2552	NA	PeJP	NA	NA
+PJ026657	GCNNNNN 	C25H40N12O13S	748.2559	NA	PeJP	NA	NA
+PJ026658	PTCCYY 	C33H44N6O10S2	748.2561	NA	PeJP	NA	NA
+PJ026659	CCCQHR 	C26H44N12O8S3	748.2568	NA	PeJP	NA	NA
+PJ026660	PDEEEM 	C29H44N6O15S	748.2586	NA	PeJP	NA	NA
+PJ026661	SSMMMY 	C30H48N6O10S3	748.2594	NA	PeJP	NA	NA
+PJ026662	CNNDHF 	C30H40N10O11S	748.2599	NA	PeJP	NA	NA
+PJ026663	NDDDDR 	C26H40N10O16	748.2624	NA	PeJP	NA	NA
+PJ026664	GSSCQMH 	C27H44N10O11S2	748.2633	NA	PeJP	NA	NA
+PJ026665	GNDEEW 	C31H40N8O14	748.2664	NA	PeJP	NA	NA
+PJ026666	GSPPCCW 	C32H44N8O9S2	748.2673	NA	PeJP	NA	NA
+PJ026667	GSPNDEM 	C28H44N8O14S	748.2698	NA	PeJP	NA	NA
+PJ026668	AEMMMH 	C29H48N8O9S3	748.2707	NA	PeJP	NA	NA
+PJ026669	SCEHHH 	C29H40N12O10S	748.2711	NA	PeJP	NA	NA
+PJ026670	CMFYW 	C37H44N6O7S2	748.2713	NA	PeJP	NA	NA
+MJ092945	Shizukaol B; 3''?-Hydroxy 	C40H44O14	748.273106	NA	MeJP	NA	NA
+MJ092946	Shizukaol H 	C40H44O14	748.273106	NA	MeJP	NA	NA
+PJ026671	GSEMYY 	C33H44N6O12S	748.2738	NA	PeJP	NA	NA
+PJ026672	GSSCCHR 	C26H44N12O10S2	748.2745	NA	PeJP	NA	NA
+PJ026673	ACMMFF 	C34H48N6O7S3	748.2747	NA	PeJP	NA	NA
+HMDB02067	O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose	C28H48N2O21	748.27496	http://www.hmdb.ca/metabolites/HMDB02067	HMDB	NA	NA
+HMDB02067	O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose	C28H48N2O21	748.27496	HMDB02067	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02067	O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose	C28H48N2O21	748.274963	NA	HMDB2010	NA	NA
+PJ026674	VDEEEE 	C29H44N6O17	748.2763	NA	PeJP	NA	NA
+PJ026675	SNNNDW 	C30H40N10O13	748.2777	NA	PeJP	NA	NA
+MJ092947	Laciniatoside V; 1'-O-?-D-Glucopyranoside 	C33H48O19	748.278979	NA	MeJP	NA	NA
+MJ092948	Ligustrinoside 	C33H48O19	748.278979	NA	MeJP	NA	NA
+C00862	Methanofuran	C34H44N4O15	748.2803	NA	KEGG	NA	NA
+C00863	Monoterpenol	HOR	748.2803	NA	KEGG	NA	NA
+MJ092949	Methanofuran 	C34H44N4O15	748.280316	NA	MeJP	NA	NA
+PJ026676	GSPCDDR 	C27H44N10O13S	748.281	NA	PeJP	NA	NA
+PJ026677	GGGGGGGAEM 	C27H44N10O13S	748.2811	NA	PeJP	NA	NA
+PJ026678	NDEWW 	C35H40N8O11	748.2817	NA	PeJP	NA	NA
+PJ026679	APPCCCR 	C28H48N10O8S3	748.2819	NA	PeJP	NA	NA
+PJ026680	SPNDMW 	C32H44N8O11S	748.2851	NA	PeJP	NA	NA
+PJ026681	SQQEEE 	C28H44N8O16	748.2875	NA	PeJP	NA	NA
+PJ026682	TNQEEE 	C28H44N8O16	748.2876	NA	PeJP	NA	NA
+MJ092950	Sanggenol M 	C44H44O11	748.288362	NA	MeJP	NA	NA
+PJ026683	TTEMMH 	C29H48N8O11S2	748.2884	NA	PeJP	NA	NA
+PJ026684	SMYYW 	C37H44N6O9S	748.2891	NA	PeJP	NA	NA
+PJ026685	GMMHHH 	C30H44N12O7S2	748.2898	NA	PeJP	NA	NA
+PJ026686	SSTEYY 	C33H44N6O14	748.2916	NA	PeJP	NA	NA
+PJ026687	CNNNER 	C26H44N12O12S	748.2923	NA	PeJP	NA	NA
+PJ026688	AAMMYY 	C34H48N6O9S2	748.2924	NA	PeJP	NA	NA
+PJ026689	CCCKHR 	C27H48N12O7S3	748.2931	NA	PeJP	NA	NA
+MJ092951	Buddlenol B; 7,8-Dihydro, 9'-O-?-D-glucopyranoside 	C37H48O16	748.294235	NA	MeJP	NA	NA
+PJ026690	GNNQMW 	C31H44N10O10S	748.2963	NA	PeJP	NA	NA
+PJ026691	GDWWW 	C39H40N8O8	748.2969	NA	PeJP	NA	NA
+PJ026692	SNDEER 	C27H44N10O15	748.2988	NA	PeJP	NA	NA
+MJ092952	Milliamine C; 3-O-Deacyl-5-O-acyl isomer, de(dimethylamino), 20-Ac 	C43H44N2O10	748.299595	NA	MeJP	NA	NA
+PJ026693	PCNEMR 	C28H48N10O10S2	748.2997	NA	PeJP	NA	NA
+PJ026694	NNNNHH 	C28H40N14O11	748.3001	NA	PeJP	NA	NA
+PJ026695	GGGGGGNHH 	C28H40N14O11	748.3002	NA	PeJP	NA	NA
+PJ026696	GPTCWW 	C36H44N8O8S	748.3003	NA	PeJP	NA	NA
+MJ092953	Timcodar 	C43H45ClN4O6	748.302762	NA	MeJP	NA	NA
+PJ026697	GTQEEW 	C32H44N8O13	748.3028	NA	PeJP	NA	NA
+PJ026698	GPQMMW 	C33H48N8O8S2	748.3037	NA	PeJP	NA	NA
+PJ026699	GDHHHF 	C33H40N12O9	748.3042	NA	PeJP	NA	NA
+PJ026700	CFFFW 	C41H44N6O6S	748.3043	NA	PeJP	NA	NA
+PJ026701	VNQEEM 	C29H48N8O13S	748.3062	NA	PeJP	NA	NA
+PJ026702	GSPYYY 	C37H44N6O11	748.3068	NA	PeJP	NA	NA
+PJ026703	SLMMMH 	C30H52N8O8S3	748.307	NA	PeJP	NA	NA
+PJ026704	APPCCKM 	C30H52N8O8S3	748.3071	NA	PeJP	NA	NA
+PJ026705	GCNNRW 	C30H44N12O9S	748.3075	NA	PeJP	NA	NA
+PJ026706	GSSNNDR 	C26H44N12O14	748.31	NA	PeJP	NA	NA
+PJ026707	ATTMYY 	C34H48N6O11S	748.3102	NA	PeJP	NA	NA
+PJ026708	PCCDRR 	C27H48N12O9S2	748.3109	NA	PeJP	NA	NA
+PJ026709	TLEEEE 	C30H48N6O16	748.3127	NA	PeJP	NA	NA
+PJ026710	PLEEMM 	C31H52N6O11S2	748.3136	NA	PeJP	NA	NA
+PJ026711	ASDDRW 	C31H44N10O12	748.314	NA	PeJP	NA	NA
+PJ026712	GSDERW 	C31H44N10O12	748.3141	NA	PeJP	NA	NA
+PJ026713	GPCMRW 	C32H48N10O7S2	748.3149	NA	PeJP	NA	NA
+PJ026714	GQEEMR 	C28H48N10O12S	748.3174	NA	PeJP	NA	NA
+PJ026715	TQEWW 	C36H44N8O10	748.3181	NA	PeJP	NA	NA
+PJ026716	CCKKMH 	C29H52N10O7S3	748.3183	NA	PeJP	NA	NA
+PJ026717	GVQEMW 	C33H48N8O10S	748.3214	NA	PeJP	NA	NA
+PJ026718	GGALDMW 	C33H48N8O10S	748.3215	NA	PeJP	NA	NA
+PJ026719	AFYYW 	C41H44N6O8	748.3221	NA	PeJP	NA	NA
+PJ026720	SQKEEE 	C29H48N8O15	748.3239	NA	PeJP	NA	NA
+PJ026721	GGTKEEE 	C29H48N8O15	748.324	NA	PeJP	NA	NA
+PJ026722	PNKEMM 	C30H52N8O10S2	748.3248	NA	PeJP	NA	NA
+PJ026723	AQQEHH 	C30H44N12O11	748.3253	NA	PeJP	NA	NA
+PJ026724	AAMFFY 	C38H48N6O8S	748.3255	NA	PeJP	NA	NA
+PJ026725	TTTTYY 	C34H48N6O13	748.3279	NA	PeJP	NA	NA
+PJ026726	PVEEEF 	C34H48N6O13	748.328	NA	PeJP	NA	NA
+PJ026727	SNNQMR 	C27H48N12O11S	748.3286	NA	PeJP	NA	NA
+PJ026728	GDDMRR 	C27H48N12O11S	748.3287	NA	PeJP	NA	NA
+PJ026729	SDRWW 	C35H44N10O9	748.3293	NA	PeJP	NA	NA
+PJ026730	VLEEEM 	C31H52N6O13S	748.3313	NA	PeJP	NA	NA
+PJ026731	QEMRW 	C32H48N10O9S	748.3327	NA	PeJP	NA	NA
+PJ026732	ATWWW 	C40H44N8O7	748.3333	NA	PeJP	NA	NA
+PJ026733	STQEER 	C28H48N10O14	748.3352	NA	PeJP	NA	NA
+PJ026734	SPQMMR 	C29H52N10O9S2	748.336	NA	PeJP	NA	NA
+PJ026735	PCDKMR 	C29H52N10O9S2	748.3361	NA	PeJP	NA	NA
+PJ026736	GNEHHR 	C29H44N14O10	748.3365	NA	PeJP	NA	NA
+PJ026737	VQMWW 	C37H48N8O7S	748.3367	NA	PeJP	NA	NA
+PJ026738	GTKEEW 	C33H48N8O12	748.3392	NA	PeJP	NA	NA
+PJ026739	SCNNRR 	C26H48N14O10S	748.3399	NA	PeJP	NA	NA
+PJ026740	GPKMMW 	C34H52N8O7S2	748.3401	NA	PeJP	NA	NA
+PJ026741	AAQHHW 	C34H44N12O8	748.3405	NA	PeJP	NA	NA
+PJ026742	GGGVHHW 	C34H44N12O8	748.3406	NA	PeJP	NA	NA
+PJ026743	VNKEEM 	C30H52N8O12S	748.3426	NA	PeJP	NA	NA
+PJ026744	LQYYY 	C38H48N6O10	748.3432	NA	PeJP	NA	NA
+PJ026745	CERRW 	C31H48N12O8S	748.3439	NA	PeJP	NA	NA
+PJ026746	SSDERR 	C27H48N12O13	748.3464	NA	PeJP	NA	NA
+PJ026747	PPLEMY 	C35H52N6O10S	748.3466	NA	PeJP	NA	NA
+PJ026748	SPCMRR 	C28H52N12O8S2	748.3473	NA	PeJP	NA	NA
+PJ026749	AMRWW 	C36H48N10O6S	748.3479	NA	PeJP	NA	NA
+PJ026750	GTTERW 	C32H48N10O11	748.3504	NA	PeJP	NA	NA
+PJ026751	GGGGGGPKY 	C32H48N10O11	748.3505	NA	PeJP	NA	NA
+PJ026752	NHHRW 	C33H44N14O7	748.3518	NA	PeJP	NA	NA
+PJ026753	GKEEMR 	C29H52N10O11S	748.3538	NA	PeJP	NA	NA
+PJ026754	TKEWW 	C37H48N8O9	748.3544	NA	PeJP	NA	NA
+PJ026755	GSTLWW 	C37H48N8O9	748.3545	NA	PeJP	NA	NA
+MJ092954	Antibiotic PD 121222 	C41H52N2O11	748.35711	NA	MeJP	NA	NA
+PJ026756	GVKEMW 	C34H52N8O9S	748.3578	NA	PeJP	NA	NA
+PJ026757	AAFFFF 	C42H48N6O7	748.3585	NA	PeJP	NA	NA
+PJ026758	SKKEEE 	C30H52N8O14	748.3603	NA	PeJP	NA	NA
+PJ026759	PDKKMM 	C31H56N8O9S2	748.3612	NA	PeJP	NA	NA
+PJ026760	GNQQFR 	C31H48N12O10	748.3617	NA	PeJP	NA	NA
+PJ026761	PVLEEY 	C35H52N6O12	748.3643	NA	PeJP	NA	NA
+PJ026762	GTEMRR 	C28H52N12O10S	748.365	NA	PeJP	NA	NA
+PJ026763	GGGGSKMR 	C28H52N12O10S	748.3651	NA	PeJP	NA	NA
+PJ026764	TTRWW 	C36H48N10O8	748.3657	NA	PeJP	NA	NA
+PJ026765	KEMRW 	C33H52N10O8S	748.3691	NA	PeJP	NA	NA
+PJ026766	LHFFW 	C41H48N8O6	748.3697	NA	PeJP	NA	NA
+PJ026767	SSPTTTR 	C29H52N10O13	748.3715	NA	PeJP	NA	NA
+PJ026768	STKEER 	C29H52N10O13	748.3716	NA	PeJP	NA	NA
+PJ026769	SPKMMR 	C30H56N10O8S2	748.3724	NA	PeJP	NA	NA
+PJ026770	GDKHHR 	C30H48N14O9	748.3729	NA	PeJP	NA	NA
+PJ026771	VKMWW 	C38H52N8O6S	748.3731	NA	PeJP	NA	NA
+PJ026772	SSLKEW 	C34H52N8O11	748.3756	NA	PeJP	NA	NA
+PJ026773	GPPHRW 	C35H48N12O7	748.3769	NA	PeJP	NA	NA
+PJ026774	SSSPLKM 	C31H56N8O11S	748.3789	NA	PeJP	NA	NA
+PJ026775	VDKKEM 	C31H56N8O11S	748.379	NA	PeJP	NA	NA
+PJ026776	LKYYY 	C39H52N6O9	748.3796	NA	PeJP	NA	NA
+PJ026777	TMRRW 	C32H52N12O7S	748.3803	NA	PeJP	NA	NA
+PJ026778	STTERR 	C28H52N12O12	748.3828	NA	PeJP	NA	NA
+PJ026779	PLLEMF 	C36H56N6O9S	748.383	NA	PeJP	NA	NA
+MJ092955	Conodiparine A; 19-Ketone 	C44H52N4O7	748.3836	NA	MeJP	NA	NA
+MJ092956	Conodiparine B; 19-Ketone 	C44H52N4O7	748.3836	NA	MeJP	NA	NA
+MJ092957	Coryzeylamine 	C44H52N4O7	748.3836	NA	MeJP	NA	NA
+PJ026780	GVMMRR 	C29H56N12O7S2	748.3837	NA	PeJP	NA	NA
+PJ026781	GSHHRR 	C29H48N16O8	748.3841	NA	PeJP	NA	NA
+PJ026782	LLLEMM 	C33H60N6O9S2	748.3864	NA	PeJP	NA	NA
+PJ026783	SSTLRW 	C33H52N10O10	748.3868	NA	PeJP	NA	NA
+MJ092958	Sucrose; 1',2,3',6'-Tetrakis(3-methylbutanoyl), 4'-(2-methylpropanoyl) 	C36H60O16	748.388135	NA	MeJP	NA	NA
+MJ092959	Sucrose; 2,3',4',6'-Tetrakis(3-methylbutanoyl), 1'-(2-methylpropanoyl) 	C36H60O16	748.388135	NA	MeJP	NA	NA
+MJ092960	Sucrose; 2,3',6'-Tris(3-methylbutanoyl), 1'-(2S-methylbutanoyl), 4'-(2-methylpropanoyl) 	C36H60O16	748.388135	NA	MeJP	NA	NA
+MJ092961	Sucrose; 2,3',6'-Tris(3-methylbutanoyl), 4'-(2S-methylbutanoyl), 1'-(2-methylpropanoyl), 	C36H60O16	748.388135	NA	MeJP	NA	NA
+PJ026784	SVKEMR 	C30H56N10O10S	748.3902	NA	PeJP	NA	NA
+PJ026785	GPVKYW 	C38H52N8O8	748.3908	NA	PeJP	NA	NA
+PJ026786	GGGLLFW 	C38H52N8O8	748.3909	NA	PeJP	NA	NA
+PJ026787	ATLKMW 	C35H56N8O8S	748.3942	NA	PeJP	NA	NA
+PJ026788	MMRRR 	C28H56N14O6S2	748.3949	NA	PeJP	NA	NA
+PJ026789	GTTTLKE 	C31H56N8O13	748.3967	NA	PeJP	NA	NA
+PJ026790	VLQKMM 	C32H60N8O8S2	748.3976	NA	PeJP	NA	NA
+PJ026791	SSPFRR 	C32H52N12O9	748.398	NA	PeJP	NA	NA
+PJ026792	GPTRRY 	C32H52N12O9	748.3981	NA	PeJP	NA	NA
+PJ026793	VLLEEF 	C36H56N6O11	748.4007	NA	PeJP	NA	NA
+PJ026794	SSLMRR 	C29H56N12O9S	748.4014	NA	PeJP	NA	NA
+PJ026795	PKRYW 	C37H52N10O7	748.4021	NA	PeJP	NA	NA
+MJ092962	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C40H60O13	748.403392	NA	MeJP	NA	NA
+MJ092963	Cynajapogenin A; 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C40H60O13	748.403392	NA	MeJP	NA	NA
+MJ092964	Cynajapogenin A; 3-O-[?-D-Oleandropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C40H60O13	748.403392	NA	MeJP	NA	NA
+MJ092965	Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C40H60O13	748.403392	NA	MeJP	NA	NA
+MJ092966	Shengmanol; 23-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) 	C40H60O13	748.403392	NA	MeJP	NA	NA
+MJ092967	Spirostane-2,3,11-triol, 11-(Tri-O-acetyl-?-L-arabinopyranoside), 2-Ac 	C40H60O13	748.403392	NA	MeJP	NA	NA
+C08966	Pfaffoside A	C40H60O13	748.4034	NA	KEGG	NA	NA
+PJ026796	GCKKKW 	C34H56N10O7S	748.4055	NA	PeJP	NA	NA
+PJ026797	SSSSLLR 	C30H56N10O12	748.4079	NA	PeJP	NA	NA
+PJ026798	GSSDKKK 	C30H56N10O12	748.408	NA	PeJP	NA	NA
+PJ026799	ALKMMR 	C31H60N10O7S2	748.4088	NA	PeJP	NA	NA
+PJ026800	DFRRR 	C31H52N14O8	748.4093	NA	PeJP	NA	NA
+2699	NA	SFLLRN	748.4119	celiac toxic	Inhouse_peptide	NA	peptide
+PJ026801	TTTLKW 	C35H56N8O10	748.412	NA	PeJP	NA	NA
+PJ026802	TLKKEM 	C32H60N8O10S	748.4153	NA	PeJP	NA	NA
+C15716	Myxochromide S3	C40H56N6O8	748.416	NA	KEGG	NA	NA
+PJ026803	PPLLFY 	C40H56N6O8	748.416	NA	PeJP	NA	NA
+MJ092968	Daphnetoxin; 12?-(2-Heptadecenoyloxy) 	C44H60O10	748.418648	NA	MeJP	NA	NA
+PJ026804	GSSSKKR 	C29H56N12O11	748.4192	NA	PeJP	NA	NA
+PJ026805	PLLLMY 	C37H60N6O8S	748.4194	NA	PeJP	NA	NA
+PJ026806	SPVKRY 	C34H56N10O9	748.4232	NA	PeJP	NA	NA
+PJ026807	TTLKMR 	C31H60N10O9S	748.4266	NA	PeJP	NA	NA
+PJ026808	GVLKFW 	C39H56N8O7	748.4272	NA	PeJP	NA	NA
+MJ092969	Incarvillateine; 5''-Methoxy 	C43H60N2O9	748.429881	NA	MeJP	NA	NA
+PJ026809	PVKKMF 	C36H60N8O7S	748.4306	NA	PeJP	NA	NA
+2981	kinases inhibitor	KKAIRRQEAVDAL	748.43195	MH2+	Inhouse_peptide	NA	peptide
+3023	kinases inhibitor	KKALRRQEAVDAL	748.43195	MH2+	Inhouse_peptide	NA	peptide
+PJ026810	SSTTLLK 	C32H60N8O12	748.4331	NA	PeJP	NA	NA
+PJ026811	VLKKMM 	C33H64N8O7S2	748.434	NA	PeJP	NA	NA
+PJ026812	AALRRY 	C33H56N12O8	748.4344	NA	PeJP	NA	NA
+PJ026813	GGGKKFR 	C33H56N12O8	748.4345	NA	PeJP	NA	NA
+PJ026814	VLLLEY 	C37H60N6O10	748.4371	NA	PeJP	NA	NA
+PJ026815	SCKKKR 	C30H60N12O8S	748.4378	NA	PeJP	NA	NA
+PJ026816	LKFRW 	C38H56N10O6	748.4385	NA	PeJP	NA	NA
+MJ092970	12-Oleanene-3,16,22,23,28-pentol, 22-Tigloyl, 3-O-?-D-glucuronopyranoside 	C41H64O12	748.439777	NA	MeJP	NA	NA
+MJ092971	3-Hydroxy-12,18-ursadien-28-oic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H64O12	748.439777	NA	MeJP	NA	NA
+C08943	Flaccidin B	C41H64O12	748.4398	NA	KEGG	NA	NA
+PJ026817	GSTTKKK 	C31H60N10O11	748.4443	NA	PeJP	NA	NA
+PJ026818	VRRRY 	C32H56N14O7	748.4457	NA	PeJP	NA	NA
+PJ026819	VVLQKY 	C36H60N8O9	748.4483	NA	PeJP	NA	NA
+PJ026820	PTLKKY 	C36H60N8O9	748.4484	NA	PeJP	NA	NA
+PJ026821	PLLLFF 	C41H60N6O7	748.4524	NA	PeJP	NA	NA
+PJ026822	LLLLMF 	C38H64N6O7S	748.4558	NA	PeJP	NA	NA
+PJ026823	GLLKRY 	C35H60N10O8	748.4596	NA	PeJP	NA	NA
+PJ026824	SKKKKM 	C32H64N10O8S	748.463	NA	PeJP	NA	NA
+MJ092972	Antibiotic MSD A 63A 	C44H64N2O8	748.466267	NA	MeJP	NA	NA
+PJ026825	PVLKHR 	C34H60N12O7	748.4708	NA	PeJP	NA	NA
+MJ092973	Salinomycin A II 	C42H68O11	748.476163	NA	MeJP	NA	NA
+MJ092974	Salinomycin; 20-Ketone 	C42H68O11	748.476163	NA	MeJP	NA	NA
+PJ026826	VVLKKY 	C37H64N8O8	748.4847	NA	PeJP	NA	NA
+PJ026827	PPPVVLK 	C37H64N8O8	748.4848	NA	PeJP	NA	NA
+PJ026828	AKKKKF 	C36H64N10O7	748.496	NA	PeJP	NA	NA
+C06838	Azithromycin	C38H72N2O12	748.5085	NA	KEGG	NA	NA
+MJ092975	Azithromycin 	C38H72N2O12	748.508525	NA	MeJP	NA	NA
+HMDB01916	Azythromycin	C38H72N2O12	748.50854	http://www.hmdb.ca/metabolites/HMDB01916	HMDB	NA	NA
+HMDB01916	Azythromycin	C38H72N2O12	748.50854	HMDB01916	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01916	Azythromycin	C38H72N2O12	748.508545	NA	HMDB2010	NA	NA
+MJ092976	Narasin A; 17-Epimer, 20-deoxy 	C43H72O10	748.512548	NA	MeJP	NA	NA
+MJ092977	Narasin A; 20-Deoxy 	C43H72O10	748.512548	NA	MeJP	NA	NA
+C13883	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol	C40H77O10P	748.5254	NA	KEGG	NA	NA
+HMDB10573	PG(16:0/18:1(11Z))	C40H77O10P	748.525452	NA	HMDB2010	NA	NA
+HMDB10574	PG(16:0/18:1(9Z))	C40H77O10P	748.525452	NA	HMDB2010	NA	NA
+HMDB10587	PG(16:1(9Z)/18:0)	C40H77O10P	748.525452	NA	HMDB2010	NA	NA
+HMDB10601	PG(18:0/16:1(9Z))	C40H77O10P	748.525452	NA	HMDB2010	NA	NA
+HMDB10615	PG(18:1(11Z)/16:0)	C40H77O10P	748.525452	NA	HMDB2010	NA	NA
+HMDB10630	PG(18:1(9Z)/16:0)	C40H77O10P	748.525452	NA	HMDB2010	NA	NA
+C10385	Plastoquinone-9	C53H80O2	748.6158	NA	KEGG	NA	NA
+MJ092978	Plastoquinone; Plastoquinone 9 	C53H80O2	748.615831	NA	MeJP	NA	NA
+MJ092979	Solanochromene 	C53H80O2	748.615831	NA	MeJP	NA	NA
+MetaCyc04094	plastoquinone []	C53H80O2	748.615832	112055-76-2	metacyc	NA	NA
+MJ092980	Japindine 	C48H84N4S	748.641669	NA	MeJP	NA	NA
+MJ092981	12-Oleanen-3-ol, O-Docosanoyl 	C52H92O2	748.709732	NA	MeJP	NA	NA
+MJ092982	18-Oleanen-3-ol, O-Docosanoyl 	C52H92O2	748.709732	NA	MeJP	NA	NA
+MJ092983	20(29)-Lupen-3-ol, Docosanoyl 	C52H92O2	748.709732	NA	MeJP	NA	NA
+2591	tenecin-1 (16-32)	NDAACAAHCLFRGRSGG~	748.8704	MH2+	Inhouse_peptide	NA	peptide
+2987	kinases inhibitor	KKALRREEAVDAL	748.92395	MH2+	Inhouse_peptide	NA	peptide
+PJ026829	SCCCCCE 	C23H39N7O11S5	749.1311	NA	PeJP	NA	NA
+MJ092984	Cyclocinamide A 	C29H33BrClN9O8	749.132399	NA	MeJP	NA	NA
+PJ026830	GCCCCMM 	C24H43N7O8S6	749.1498	NA	PeJP	NA	NA
+PJ026831	GCCCCDF 	C27H39N7O10S4	749.1642	NA	PeJP	NA	NA
+PJ026832	STCCCCM 	C24H43N7O10S5	749.1675	NA	PeJP	NA	NA
+PJ026833	GSCCCDY 	C27H39N7O12S3	749.1819	NA	PeJP	NA	NA
+PJ026834	CCCQMY 	C28H43N7O9S4	749.2005	NA	PeJP	NA	NA
+PJ026835	GCCCNNH 	C25H39N11O10S3	749.2044	NA	PeJP	NA	NA
+PJ026836	GSCCDEH 	C26H39N9O13S2	749.2109	NA	PeJP	NA	NA
+PJ026837	CCCCRY 	C27H43N9O8S4	749.2118	NA	PeJP	NA	NA
+PJ026838	GPCDDDE 	C27H39N7O16S	749.2174	NA	PeJP	NA	NA
+PJ026839	GSSCCMY 	C28H43N7O11S3	749.2183	NA	PeJP	NA	NA
+PJ026840	SCCDHW 	C30H39N9O10S2	749.2262	NA	PeJP	NA	NA
+PJ026841	SSSCDDH 	C26H39N9O15S	749.2287	NA	PeJP	NA	NA
+PJ026842	CNDMMH 	C27H43N9O10S3	749.2295	NA	PeJP	NA	NA
+PJ026843	GGGGPPCCC 	C27H43N9O10S3	749.2296	NA	PeJP	NA	NA
+PJ026844	PCDDDW 	C31H39N7O13S	749.2327	NA	PeJP	NA	NA
+PJ026845	CCCQFF 	C32H43N7O8S3	749.2336	NA	PeJP	NA	NA
+PJ026846	NDDEEE 	C27H39N7O18	749.2352	NA	PeJP	NA	NA
+PJ026847	SSSTCCY 	C28H43N7O13S2	749.236	NA	PeJP	NA	NA
+PJ026848	SPPCCDE 	C28H43N7O13S2	749.2361	NA	PeJP	NA	NA
+PJ026849	CCCKMY 	C29H47N7O8S4	749.2369	NA	PeJP	NA	NA
+PJ026850	GCNNNND 	C25H39N11O14S	749.2399	NA	PeJP	NA	NA
+PJ026851	CCCEHR 	C26H43N11O9S3	749.2408	NA	PeJP	NA	NA
+PJ026852	CNDDHF 	C30H39N9O12S	749.2439	NA	PeJP	NA	NA
+PJ026853	ACCMHW 	C31H43N9O7S3	749.2448	NA	PeJP	NA	NA
+PJ026854	DDDDDR 	C26H39N9O17	749.2464	NA	PeJP	NA	NA
+PJ026855	GSSCEMH 	C27H43N9O12S2	749.2473	NA	PeJP	NA	NA
+PJ026856	CCNHHH 	C28H39N13O8S2	749.2486	NA	PeJP	NA	NA
+PJ026857	GDDEEW 	C31H39N7O15	749.2505	NA	PeJP	NA	NA
+PJ026858	GCNMYY 	C32H43N7O10S2	749.2513	NA	PeJP	NA	NA
+PJ026859	GSPDDEM 	C28H43N7O15S	749.2538	NA	PeJP	NA	NA
+PJ026860	GPPCDMM 	C29H47N7O10S3	749.2547	NA	PeJP	NA	NA
+PJ026861	SNNDDW 	C30H39N9O14	749.2617	NA	PeJP	NA	NA
+PJ026862	SSCMHW 	C31H43N9O9S2	749.2625	NA	PeJP	NA	NA
+PJ026863	GGGAPCCW 	C31H43N9O9S2	749.2626	NA	PeJP	NA	NA
+PJ026864	SSSSDMH 	C27H43N9O14S	749.265	NA	PeJP	NA	NA
+PJ026865	GGNNEEM 	C27H43N9O14S	749.2651	NA	PeJP	NA	NA
+PJ026866	DDEWW 	C35H39N7O12	749.2657	NA	PeJP	NA	NA
+PJ026867	SNMMMH 	C28H47N9O9S3	749.2659	NA	PeJP	NA	NA
+PJ026868	SPDDMW 	C32H43N7O12S	749.2691	NA	PeJP	NA	NA
+PJ026869	CCCKFF 	C33H47N7O7S3	749.2699	NA	PeJP	NA	NA
+PJ026870	SQEEEE 	C28H43N7O17	749.2716	NA	PeJP	NA	NA
+PJ026871	PNEEMM 	C29H47N7O12S2	749.2724	NA	PeJP	NA	NA
+PJ026872	GPPCCHH 	C30H43N11O8S2	749.2738	NA	PeJP	NA	NA
+PJ026873	CNNDER 	C26H43N11O13S	749.2763	NA	PeJP	NA	NA
+PJ026874	TCCMHR 	C27H47N11O8S3	749.2772	NA	PeJP	NA	NA
+PJ026875	GNNEMW 	C31H43N9O11S	749.2803	NA	PeJP	NA	NA
+PJ026876	SDDEER 	C27H43N9O16	749.2828	NA	PeJP	NA	NA
+PJ026877	PCDEMR 	C28H47N9O11S2	749.2837	NA	PeJP	NA	NA
+PJ026878	NNNDHH 	C28H39N13O12	749.2841	NA	PeJP	NA	NA
+PJ026879	GGNNDHH 	C28H39N13O12	749.2842	NA	PeJP	NA	NA
+PJ026880	GCNFFY 	C36H43N7O9S	749.2843	NA	PeJP	NA	NA
+PJ026881	GTEEEW 	C32H43N7O14	749.2868	NA	PeJP	NA	NA
+PJ026882	GPEMMW 	C33H47N7O9S2	749.2877	NA	PeJP	NA	NA
+MetaCyc04095	methanofuran a [MFR;]	C34H45N4O15	749.288142	NA	metacyc	NA	NA
+PJ026883	VNEEEM 	C29H47N7O14S	749.2902	NA	PeJP	NA	NA
+PJ026884	EEFYY 	C37H43N5O12	749.2908	NA	PeJP	NA	NA
+PJ026885	GSPPMMM 	C30H51N7O9S3	749.2911	NA	PeJP	NA	NA
+PJ026886	GCNDRW 	C30H43N11O10S	749.2915	NA	PeJP	NA	NA
+PJ026887	GGGCDRW 	C30H43N11O10S	749.2916	NA	PeJP	NA	NA
+MJ092985	Trenudine; 5'-Deoxy 	C36H48ClN3O12	749.292651	NA	MeJP	NA	NA
+PJ026888	GSSNDDR 	C26H43N11O15	749.294	NA	PeJP	NA	NA
+PJ026889	GGGSSDDR 	C26H43N11O15	749.2941	NA	PeJP	NA	NA
+PJ026890	GSPCCQR 	C27H47N11O10S2	749.2949	NA	PeJP	NA	NA
+PJ026891	CQQWW 	C35H43N9O8S	749.2955	NA	PeJP	NA	NA
+PJ026892	NNMWW 	C35H43N9O8S	749.2956	NA	PeJP	NA	NA
+PJ026893	SSNQEW 	C31H43N9O13	749.2981	NA	PeJP	NA	NA
+PJ026894	PCCNKW 	C32H47N9O8S2	749.2989	NA	PeJP	NA	NA
+PJ026895	GEEEMR 	C28H47N9O13S	749.3014	NA	PeJP	NA	NA
+PJ026896	GGGGDKEM 	C28H47N9O13S	749.3015	NA	PeJP	NA	NA
+PJ026897	TEEWW 	C36H43N7O11	749.3021	NA	PeJP	NA	NA
+PJ026898	TCKMMH 	C29H51N9O8S3	749.3023	NA	PeJP	NA	NA
+PJ026899	PMMWW 	C37H47N7O6S2	749.303	NA	PeJP	NA	NA
+C16524	3'-N-Debenzoyltaxol	C40H47NO13	749.3047	NA	KEGG	NA	NA
+PJ026900	SPTEMW 	C33H47N7O11S	749.3054	NA	PeJP	NA	NA
+PJ026901	GVEEMW 	C33H47N7O11S	749.3055	NA	PeJP	NA	NA
+PJ026902	APCHHW 	C34H43N11O7S	749.3068	NA	PeJP	NA	NA
+PJ026903	SSPTTEE 	C29H47N7O16	749.3079	NA	PeJP	NA	NA
+PJ026904	SKEEEE 	C29H47N7O16	749.308	NA	PeJP	NA	NA
+PJ026905	PDKEMM 	C30H51N7O11S2	749.3088	NA	PeJP	NA	NA
+PJ026906	NNNNQF 	C30H43N11O12	749.3093	NA	PeJP	NA	NA
+PJ026907	GCMHFR 	C31H47N11O7S2	749.3102	NA	PeJP	NA	NA
+PJ026908	SNNEMR 	C27H47N11O12S	749.3127	NA	PeJP	NA	NA
+PJ026909	GSSQWW 	C35H43N9O10	749.3133	NA	PeJP	NA	NA
+PJ026910	EEMRW 	C32H47N9O10S	749.3167	NA	PeJP	NA	NA
+PJ026911	PDFWW 	C40H43N7O8	749.3173	NA	PeJP	NA	NA
+PJ026912	STEEER 	C28H47N9O15	749.3192	NA	PeJP	NA	NA
+PJ026913	SPEMMR 	C29H51N9O10S2	749.3201	NA	PeJP	NA	NA
+PJ026914	GDEHHR 	C29H43N13O11	749.3205	NA	PeJP	NA	NA
+PJ026915	GGGGGATHH 	C29H43N13O11	749.3206	NA	PeJP	NA	NA
+PJ026916	VEMWW 	C37H47N7O8S	749.3207	NA	PeJP	NA	NA
+PJ026917	SSLEEW 	C33H47N7O13	749.3232	NA	PeJP	NA	NA
+PJ026918	SCNDRR 	C26H47N13O11S	749.3239	NA	PeJP	NA	NA
+PJ026919	SPVMMW 	C34H51N7O8S2	749.3241	NA	PeJP	NA	NA
+PJ026920	SSPHHW 	C34H43N11O9	749.3245	NA	PeJP	NA	NA
+PJ026921	AAEHHW 	C34H43N11O9	749.3246	NA	PeJP	NA	NA
+PJ026922	VDKEEM 	C30H51N7O13S	749.3266	NA	PeJP	NA	NA
+PJ026923	LEYYY 	C38H47N5O11	749.3272	NA	PeJP	NA	NA
+PJ026924	PLQMMM 	C31H55N7O8S3	749.3275	NA	PeJP	NA	NA
+PJ026925	GSNMRW 	C31H47N11O9S	749.3279	NA	PeJP	NA	NA
+PJ026926	NHFFW 	C39H43N9O7	749.3286	NA	PeJP	NA	NA
+MJ092986	Trewiasine 	C37H52ClN3O11	749.329037	NA	MeJP	NA	NA
+PJ026927	GSSSQER 	C27H47N11O14	749.3304	NA	PeJP	NA	NA
+MJ092987	Milliamine C 	C43H47N3O9	749.33123	NA	MeJP	NA	NA
+PJ026928	GQQMMR 	C28H51N11O9S2	749.3313	NA	PeJP	NA	NA
+PJ026929	CQKWW 	C36H47N9O7S	749.3319	NA	PeJP	NA	NA
+PJ026930	GACKWW 	C36H47N9O7S	749.332	NA	PeJP	NA	NA
+PJ026931	SSNKEW 	C32H47N9O12	749.3344	NA	PeJP	NA	NA
+PJ026932	GGGSSSLW 	C32H47N9O12	749.3345	NA	PeJP	NA	NA
+PJ026933	PPCMFR 	C33H51N9O7S2	749.3353	NA	PeJP	NA	NA
+PJ026934	DHHRW 	C33H43N13O8	749.3358	NA	PeJP	NA	NA
+2602	tachykinin family from white shrimp Penaeus vannam	ASFSPWG~	749.337	antibacterial	Inhouse_peptide	NA	peptide
+PJ026935	SVEEMR 	C29H51N9O12S	749.3378	NA	PeJP	NA	NA
+PJ026936	GPVEYW 	C37H47N7O10	749.3385	NA	PeJP	NA	NA
+PJ026937	PCLMMR 	C30H55N9O7S3	749.3387	NA	PeJP	NA	NA
+PJ026938	PTCHHR 	C30H47N13O8S	749.3392	NA	PeJP	NA	NA
+MJ092988	Antibiotic K 502; Antibiotic K 502-3 	C41H51NO12	749.341126	NA	MeJP	NA	NA
+PJ026939	ATLEMW 	C34H51N7O10S	749.3418	NA	PeJP	NA	NA
+PJ026940	GAPLDMF 	C34H51N7O10S	749.3419	NA	PeJP	NA	NA
+PJ026941	GCQMRR 	C27H51N13O8S2	749.3425	NA	PeJP	NA	NA
+PJ026942	GTTTLEE 	C30H51N7O15	749.3443	NA	PeJP	NA	NA
+MJ092989	3-(Methylthio)rifamycin; 16,17,18,19,28,29-Hexahydro 	C38H55NO12S	749.344496	NA	MeJP	NA	NA
+PJ026943	VLQEMM 	C31H55N7O10S2	749.3452	NA	PeJP	NA	NA
+PJ026944	SSSQRW 	C31H47N11O11	749.3457	NA	PeJP	NA	NA
+PJ026945	SNDKMR 	C28H51N11O11S	749.349	NA	PeJP	NA	NA
+PJ026946	GGSDKMR 	C28H51N11O11S	749.3491	NA	PeJP	NA	NA
+PJ026947	GSSKWW 	C36H47N9O9	749.3497	NA	PeJP	NA	NA
+PJ026948	GTQKMW 	C33H51N9O9S	749.3531	NA	PeJP	NA	NA
+PJ026949	PVYWW 	C41H47N7O7	749.3537	NA	PeJP	NA	NA
+PJ026950	GCCRRR 	C26H51N15O7S2	749.3538	NA	PeJP	NA	NA
+PJ026951	GSSDKKE 	C29H51N9O14	749.3556	NA	PeJP	NA	NA
+PJ026952	VNQKMM 	C30H55N9O9S2	749.3564	NA	PeJP	NA	NA
+PJ026953	ALEMMR 	C30H55N9O9S2	749.3565	NA	PeJP	NA	NA
+PJ026954	ATEHHR 	C30H47N13O10	749.3569	NA	PeJP	NA	NA
+PJ026955	GPLMFW 	C38H51N7O7S	749.3571	NA	PeJP	NA	NA
+PJ026956	TTTLEW 	C34H51N7O12	749.3596	NA	PeJP	NA	NA
+PJ026957	SSNMRR 	C27H51N13O10S	749.3603	NA	PeJP	NA	NA
+PJ026958	GLLMMW 	C35H55N7O7S2	749.3605	NA	PeJP	NA	NA
+PJ026959	NQFRW 	C35H47N11O8	749.3609	NA	PeJP	NA	NA
+PJ026960	GGGAFRW 	C35H47N11O8	749.361	NA	PeJP	NA	NA
+PJ026961	TLKEEM 	C31H55N7O12S	749.363	NA	PeJP	NA	NA
+PJ026962	PLKMMM 	C32H59N7O7S3	749.3638	NA	PeJP	NA	NA
+PJ026963	GTCKRW 	C32H51N11O8S	749.3643	NA	PeJP	NA	NA
+PJ026964	GSSSKER 	C28H51N11O13	749.3668	NA	PeJP	NA	NA
+PJ026965	GQKMMR 	C29H55N11O8S2	749.3677	NA	PeJP	NA	NA
+PJ026966	CKKWW 	C37H51N9O6S	749.3683	NA	PeJP	NA	NA
+PJ026967	SSDKKW 	C33H51N9O11	749.3708	NA	PeJP	NA	NA
+PJ026968	GGGGGGLLY 	C33H51N9O11	749.3709	NA	PeJP	NA	NA
+PJ026969	GPHHFR 	C34H47N13O7	749.3722	NA	PeJP	NA	NA
+PJ026970	TTLEMR 	C30H55N9O11S	749.3742	NA	PeJP	NA	NA
+PJ026971	APTLYW 	C38H51N7O9	749.3748	NA	PeJP	NA	NA
+PJ026972	SPVVYW 	C38H51N7O9	749.3749	NA	PeJP	NA	NA
+PJ026973	GLMHHR 	C31H51N13O7S	749.3756	NA	PeJP	NA	NA
+PJ026974	GSSSTRR 	C27H51N13O12	749.378	NA	PeJP	NA	NA
+PJ026975	STLLMW 	C35H55N7O9S	749.3782	NA	PeJP	NA	NA
+PJ026976	GCKMRR 	C28H55N13O7S2	749.3789	NA	PeJP	NA	NA
+PJ026977	SSTTLLE 	C31H55N7O14	749.3807	NA	PeJP	NA	NA
+PJ026978	VLKEMM 	C32H59N7O9S2	749.3816	NA	PeJP	NA	NA
+PJ026979	SSSKRW 	C32H51N11O10	749.3821	NA	PeJP	NA	NA
+MJ092990	Fumonisin C1; 3-Hydroxy, 4-deoxy, N-Ac 	C35H59NO16	749.383384	NA	MeJP	NA	NA
+MJ092991	Fumonisin C1; N-Ac 	C35H59NO16	749.383384	NA	MeJP	NA	NA
+PJ026980	STQKMR 	C29H55N11O10S	749.3854	NA	PeJP	NA	NA
+PJ026981	LEFRW 	C37H51N9O8	749.3861	NA	PeJP	NA	NA
+PJ026982	GTKKMW 	C34H55N9O8S	749.3895	NA	PeJP	NA	NA
+PJ026983	VLFWW 	C42H51N7O6	749.3901	NA	PeJP	NA	NA
+PJ026984	SSSTLQK 	C30H55N9O13	749.3919	NA	PeJP	NA	NA
+PJ026985	GSTTKKE 	C30H55N9O13	749.392	NA	PeJP	NA	NA
+PJ026986	SLLMMR 	C31H59N9O8S2	749.3928	NA	PeJP	NA	NA
+PJ026987	QQRRY 	C31H51N13O9	749.3933	NA	PeJP	NA	NA
+PJ026988	PTLKEY 	C35H55N7O11	749.396	NA	PeJP	NA	NA
+PJ026989	STCKRR 	C28H55N13O9S	749.3967	NA	PeJP	NA	NA
+PJ026990	NKFRW 	C36H51N11O7	749.3973	NA	PeJP	NA	NA
+PJ026991	SSSLLLM 	C32H59N7O11S	749.3993	NA	PeJP	NA	NA
+PJ026992	PPLMHR 	C33H55N11O7S	749.4007	NA	PeJP	NA	NA
+PJ026993	GSTTTKR 	C29H55N11O12	749.4032	NA	PeJP	NA	NA
+PJ026994	GKKMMR 	C30H59N11O7S2	749.4041	NA	PeJP	NA	NA
+PJ026995	GPQHRR 	C30H51N15O8	749.4045	NA	PeJP	NA	NA
+PJ026996	GGAPHRR 	C30H51N15O8	749.4046	NA	PeJP	NA	NA
+PJ026997	STTKKW 	C34H55N9O10	749.4072	NA	PeJP	NA	NA
+PJ026998	SKKKEM 	C31H59N9O10S	749.4106	NA	PeJP	NA	NA
+PJ026999	GVLLYW 	C39H55N7O8	749.4112	NA	PeJP	NA	NA
+PJ027000	GGPLLFF 	C39H55N7O8	749.4113	NA	PeJP	NA	NA
+PJ027001	PVLKMY 	C36H59N7O8S	749.4146	NA	PeJP	NA	NA
+PJ027002	TTTTTLL 	C32H59N7O13	749.4171	NA	PeJP	NA	NA
+PJ027003	ATQKFR 	C33H55N11O9	749.4184	NA	PeJP	NA	NA
+PJ027004	GVQKRY 	C33H55N11O9	749.4185	NA	PeJP	NA	NA
+PJ027005	STKKMR 	C30H59N11O9S	749.4218	NA	PeJP	NA	NA
+PJ027006	LLRYW 	C38H55N9O7	749.4225	NA	PeJP	NA	NA
+PJ027007	ALLMFR 	C35H59N9O7S	749.4259	NA	PeJP	NA	NA
+PJ027008	SSSTLKK 	C31H59N9O12	749.4283	NA	PeJP	NA	NA
+PJ027009	CLKKKM 	C32H63N9O7S2	749.4292	NA	PeJP	NA	NA
+PJ027010	QKRRY 	C32H55N13O8	749.4297	NA	PeJP	NA	NA
+MJ092992	Enterococcus faecalis Sex pheromone inhibitor iAM373 	C36H59N7O10	749.432341	NA	MeJP	NA	NA
+PJ027011	VVLKEY 	C36H59N7O10	749.4324	NA	PeJP	NA	NA
+PJ027012	GPKHRR 	C31H55N15O7	749.4409	NA	PeJP	NA	NA
+PJ027013	SVLLRY 	C35H59N9O9	749.4436	NA	PeJP	NA	NA
+PJ027014	PVLKFF 	C40H59N7O7	749.4476	NA	PeJP	NA	NA
+PJ027015	VLLKMF 	C37H63N7O7S	749.451	NA	PeJP	NA	NA
+PJ027016	GVKKRY 	C34H59N11O8	749.4548	NA	PeJP	NA	NA
+PJ027017	GAPLKKH 	C34H59N11O8	749.4549	NA	PeJP	NA	NA
+MJ092993	8-Hydroxyerythromycin 	C37H67NO14	749.456155	NA	MeJP	NA	NA
+MJ092994	Erythromycin; 16-Hydroxy 	C37H67NO14	749.456155	NA	MeJP	NA	NA
+MJ092995	Erythromycin; 7-Hydroxy 	C37H67NO14	749.456155	NA	MeJP	NA	NA
+MJ092996	Erythromycin; N-Oxide 	C37H67NO14	749.456155	NA	MeJP	NA	NA
+PJ027018	KKRRY 	C33H59N13O7	749.4661	NA	PeJP	NA	NA
+PJ027019	TLLLKY 	C37H63N7O9	749.4688	NA	PeJP	NA	NA
+MJ092997	Venturicidin B; 3'-Carbamate 	C41H67NO11	749.471411	NA	MeJP	NA	NA
+PJ027020	ALKKKY 	C36H63N9O8	749.48	NA	PeJP	NA	NA
+PJ027021	VLLLHR 	C35H63N11O7	749.4912	NA	PeJP	NA	NA
+HMDB07918	PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C42H72NO8P	749.499573	NA	HMDB2010	NA	NA
+HMDB08493	PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))	C42H72NO8P	749.499573	NA	HMDB2010	NA	NA
+HMDB08913	PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C42H72NO8P	749.499573	NA	HMDB2010	NA	NA
+HMDB09681	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	C42H72NO8P	749.499573	NA	HMDB2010	NA	NA
+PJ027022	PPVVLLL 	C38H67N7O8	749.5052	NA	PeJP	NA	NA
+HMDB05780	GPEtn(16:0p/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H76NO7P	749.53595	http://www.hmdb.ca/metabolites/HMDB05780	HMDB	NA	NA
+HMDB05780	GPEtn(16:0p/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H76NO7P	749.53595	HMDB05780	PFEM_hmdb_metabocards_official	NA	NA
+HMDB09413	PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB09414	PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB09446	PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB09447	PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB09478	PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB09642	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB09675	PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11359	PE(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11360	PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11387	PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11418	PE(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11419	PE(P-18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11451	PE(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+HMDB11452	PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C43H76NO7P	749.53595	NA	HMDB2010	NA	NA
+EUR1067	SM(d18:1/16:0) [M+FA-H]-	C39H80N2O6P	749.580281	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1067	SM(d18:1/16:0) [M+FA-H]-	C39H80N2O6P	749.580281	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1067	SM(d18:1/16:0) [M+FA-H]-	C39H80N2O6P	749.580281	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1067	SM(d18:1/16:0) [M+FA-H]-	C39H80N2O6P	749.580281	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1063	SM(d18:1/15:0) [M-H+acetate]-	C38H78N2O6P	749.580851	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1063	SM(d18:1/15:0) [M-H+acetate]-	C38H78N2O6P	749.580851	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1063	SM(d18:1/15:0) [M-H+acetate]-	C38H78N2O6P	749.580851	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1063	SM(d18:1/15:0) [M-H+acetate]-	C38H78N2O6P	749.580851	masses lipides attendues	Inhousejuil11	NA	NA
+3338	human beta-casein fr, 49-61	IHPFAQTQSLVYP	749.8805	MH2+	Inhouse_peptide	NA	peptide
+MJ092998	15-Hydroxy-3,7,11-cembratrien-18,2-olide 	C20H30O30	750.082189	NA	MeJP	NA	NA
+PJ027023	CCCCCCN 	C22H38N8O9S6	750.1086	NA	PeJP	NA	NA
+C01212	UDP-N-acetylmuramoyl-L-alanine	C23H36N4O20P2	750.1398	NA	KEGG	NA	NA
+MetaCyc04096	UDP-N-acetylmuramoyl-L-alanine []	C23H36N4O20P2	750.139813	NA	metacyc	NA	NA
+PJ027024	CCCEMY 	C28H42N6O10S4	750.1846	NA	PeJP	NA	NA
+PJ027025	GCCCNDH 	C25H38N10O11S3	750.1884	NA	PeJP	NA	NA
+FL5FECGS0049	Patuletin 3-(4''-acetylrhamnoside)-7-(2''',4'''-diacetylrhamnoside)	C34H38O19	750.20072	125140-19-4	knapsack	NA	NA
+FL5FECGS0050	Patuletin 3-(4''-acetylrhamnoside)-7-(3''',4'''-diacetylrhamnoside)	C34H38O19	750.20072	125175-48-6	knapsack	NA	NA
+MJ092999	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(2,4-di-O-acetyl-?-L-rhamnopyranoside) 	C34H38O19	750.200729	NA	MeJP	NA	NA
+MJ093000	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(4-O-Acetyl-?-L-rhamnopyranoside), 7-O-(3,4-di-O-acetyl-?-L-rhamnopyranoside) 	C34H38O19	750.200729	NA	MeJP	NA	NA
+PJ027026	CCEEMH 	C27H42N8O11S3	750.2135	NA	PeJP	NA	NA
+PJ027027	CDDMMH 	C27H42N8O11S3	750.2136	NA	PeJP	NA	NA
+MJ093001	Antibiotic FR 191512 	C38H38O16	750.215985	NA	MeJP	NA	NA
+MJ093002	Helisterculin B 	C38H38O16	750.215985	NA	MeJP	NA	NA
+MJ093003	Julichrome Q3.3 	C38H38O16	750.215985	NA	MeJP	NA	NA
+MJ093004	?-Naphthocyclinone 	C38H38O16	750.215985	NA	MeJP	NA	NA
+MJ093005	KS 506x 	C39H42O11S2	750.216853	NA	MeJP	NA	NA
+PJ027028	PCCCYY 	C32H42N6O9S3	750.2176	NA	PeJP	NA	NA
+PJ027029	DDDEEE 	C27H38N6O19	750.2192	NA	PeJP	NA	NA
+PJ027030	TCCMMY 	C29H46N6O9S4	750.2209	NA	PeJP	NA	NA
+PJ027031	GCNNNDD 	C25H38N10O15S	750.2239	NA	PeJP	NA	NA
+PJ027032	GSCCNMH 	C26H42N10O10S3	750.2248	NA	PeJP	NA	NA
+PJ027033	CDDDHF 	C30H38N8O13S	750.2279	NA	PeJP	NA	NA
+PJ027034	GSNDDDE 	C26H38N8O18	750.2304	NA	PeJP	NA	NA
+PJ027035	GGGSDDDE 	C26H38N8O18	750.2305	NA	PeJP	NA	NA
+MJ093006	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5'-Tris(4S,5S-epoxy-2Z-hexenoyl), 6'-(2Z,4E-hexadienoyl) 	C42H38O13	750.231241	NA	MeJP	NA	NA
+PJ027036	GPCNDDM 	C27H42N8O13S2	750.2313	NA	PeJP	NA	NA
+PJ027037	CCDHHH 	C28H38N12O9S2	750.2326	NA	PeJP	NA	NA
+PJ027038	GCDMYY 	C32H42N6O11S2	750.2353	NA	PeJP	NA	NA
+PJ027039	SSSCCQH 	C26H42N10O12S2	750.2425	NA	PeJP	NA	NA
+PJ027040	GGGGSPCCN 	C26H42N10O12S2	750.2426	NA	PeJP	NA	NA
+PJ027041	SNDDDW 	C30H38N8O15	750.2457	NA	PeJP	NA	NA
+PJ027042	PCCNEW 	C31H42N8O10S2	750.2466	NA	PeJP	NA	NA
+PJ027043	NNDEEM 	C27H42N8O15S	750.2491	NA	PeJP	NA	NA
+PJ027044	SDMMMH 	C28H46N8O10S3	750.2499	NA	PeJP	NA	NA
+PJ027045	SSCEYY 	C32H42N6O13S	750.2531	NA	PeJP	NA	NA
+PJ027046	GCMMFY 	C33H46N6O8S3	750.254	NA	PeJP	NA	NA
+PJ027047	SEEEEE 	C28H42N6O18	750.2556	NA	PeJP	NA	NA
+PJ027048	PDEEMM 	C29H46N6O13S2	750.2565	NA	PeJP	NA	NA
+PJ027049	CCNQHF 	C30H42N10O9S2	750.2578	NA	PeJP	NA	NA
+PJ027050	CNDDER 	C26H42N10O14S	750.2603	NA	PeJP	NA	NA
+PJ027051	GTCCCKH 	C27H46N10O9S3	750.2612	NA	PeJP	NA	NA
+PJ027052	GPCCWW 	C35H42N8O7S2	750.2618	NA	PeJP	NA	NA
+PJ027053	GNDEMW 	C31H42N8O12S	750.2643	NA	PeJP	NA	NA
+PJ027054	GSSNEEE 	C27H42N8O17	750.2668	NA	PeJP	NA	NA
+PJ027055	GSPNDMM 	C28H46N8O12S2	750.2677	NA	PeJP	NA	NA
+PJ027056	NNDDHH 	C28H38N12O13	750.2682	NA	PeJP	NA	NA
+PJ027057	GCDFFY 	C36H42N6O10S	750.2683	NA	PeJP	NA	NA
+PJ027058	AMMMMH 	C29H50N8O7S4	750.2686	NA	PeJP	NA	NA
+PJ027059	SCMHHH 	C29H42N12O8S2	750.269	NA	PeJP	NA	NA
+PJ027060	PDDEEF 	C32H42N6O15	750.2709	NA	PeJP	NA	NA
+PJ027061	GSMMYY 	C33H46N6O10S2	750.2717	NA	PeJP	NA	NA
+PJ027062	VDEEEM 	C29H46N6O15S	750.2742	NA	PeJP	NA	NA
+PJ027063	SCNNQW 	C30H42N10O11S	750.2755	NA	PeJP	NA	NA
+PJ027064	GCDDRW 	C30H42N10O11S	750.2756	NA	PeJP	NA	NA
+PJ027065	SSSNNNE 	C26H42N10O16	750.278	NA	PeJP	NA	NA
+PJ027066	GSSDDDR 	C26H42N10O16	750.2781	NA	PeJP	NA	NA
+PJ027067	GSPCCER 	C27H46N10O11S2	750.2789	NA	PeJP	NA	NA
+PJ027068	GGGGGGGAMM 	C27H46N10O11S2	750.279	NA	PeJP	NA	NA
+PJ027069	NDMWW 	C35H42N8O9S	750.2796	NA	PeJP	NA	NA
+PJ027070	SSNEEW 	C31H42N8O14	750.2821	NA	PeJP	NA	NA
+PJ027071	SPCQMW 	C32H46N8O9S2	750.2829	NA	PeJP	NA	NA
+PJ027072	PCCDKW 	C32H46N8O9S2	750.283	NA	PeJP	NA	NA
+PJ027073	SQQEEM 	C28H46N8O14S	750.2854	NA	PeJP	NA	NA
+PJ027074	GGTQEEM 	C28H46N8O14S	750.2855	NA	PeJP	NA	NA
+PJ027075	NEYYY 	C36H42N6O12	750.2861	NA	PeJP	NA	NA
+PJ027076	TTMMMH 	C29H50N8O9S3	750.2863	NA	PeJP	NA	NA
+PJ027077	GSPCNHH 	C29H42N12O10S	750.2868	NA	PeJP	NA	NA
+PJ027078	GCMFFF 	C37H46N6O7S2	750.287	NA	PeJP	NA	NA
+MJ093007	11-Hydroxymeliacarpin; 1-Cinnamoyl, 3-(2-methylpropenoyl) 	C40H46O14	750.288756	NA	MeJP	NA	NA
+MJ093008	Cerberalignan A 	C40H46O14	750.288756	NA	MeJP	NA	NA
+MJ093009	Cerberalignan B 	C40H46O14	750.288756	NA	MeJP	NA	NA
+MJ093010	Cerberalignan C 	C40H46O14	750.288756	NA	MeJP	NA	NA
+MJ093011	Cerberalignan K 	C40H46O14	750.288756	NA	MeJP	NA	NA
+MJ093012	Cerberalignan L 	C40H46O14	750.288756	NA	MeJP	NA	NA
+MJ093013	Lappaol H 	C40H46O14	750.288756	NA	MeJP	NA	NA
+PJ027079	SSTMYY 	C33H46N6O12S	750.2895	NA	PeJP	NA	NA
+PJ027080	CNNNMR 	C26H46N12O10S2	750.2902	NA	PeJP	NA	NA
+PJ027081	GSSSNNW 	C30H42N10O13	750.2933	NA	PeJP	NA	NA
+PJ027082	SPCCRW 	C31H46N10O8S2	750.2942	NA	PeJP	NA	NA
+PJ027083	ACWWW 	C39H42N8O6S	750.2948	NA	PeJP	NA	NA
+PJ027084	SNDEMR 	C27H46N10O13S	750.2967	NA	PeJP	NA	NA
+PJ027085	GSSEWW 	C35H42N8O11	750.2973	NA	PeJP	NA	NA
+PJ027086	PCNMMR 	C28H50N10O8S3	750.2976	NA	PeJP	NA	NA
+PJ027087	MMHFW 	C36H46N8O6S2	750.2982	NA	PeJP	NA	NA
+PJ027088	GTQEMW 	C32H46N8O11S	750.3007	NA	PeJP	NA	NA
+PJ027089	GYYYW 	C40H42N6O9	750.3013	NA	PeJP	NA	NA
+PJ027090	ACHHHF 	C33H42N12O7S	750.3021	NA	PeJP	NA	NA
+PJ027091	GSSDKEE 	C28H46N8O16	750.3032	NA	PeJP	NA	NA
+PJ027092	VNQEMM 	C29H50N8O11S2	750.3041	NA	PeJP	NA	NA
+PJ027093	SNQEHH 	C29H42N12O12	750.3045	NA	PeJP	NA	NA
+PJ027094	GGSQEHH 	C29H42N12O12	750.3046	NA	PeJP	NA	NA
+PJ027095	QMFYY 	C37H46N6O9S	750.3047	NA	PeJP	NA	NA
+PJ027096	PVDEEY 	C33H46N6O14	750.3072	NA	PeJP	NA	NA
+PJ027097	SCDDRR 	C26H46N12O12S	750.3079	NA	PeJP	NA	NA
+PJ027098	PPEMMF 	C34H50N6O9S2	750.3081	NA	PeJP	NA	NA
+PJ027099	GNNNFW 	C34H42N10O10	750.3086	NA	PeJP	NA	NA
+PJ027100	TLEEEM 	C30H50N6O14S	750.3106	NA	PeJP	NA	NA
+PJ027101	PLEMMM 	C31H54N6O9S3	750.3115	NA	PeJP	NA	NA
+PJ027102	GSDMRW 	C31H46N10O10S	750.3119	NA	PeJP	NA	NA
+PJ027103	GGGGSCKW 	C31H46N10O10S	750.312	NA	PeJP	NA	NA
+PJ027104	SSWWW 	C39H42N8O8	750.3126	NA	PeJP	NA	NA
+PJ027105	GSSSEER 	C27H46N10O15	750.3144	NA	PeJP	NA	NA
+PJ027106	GGGGSSSDK 	C27H46N10O15	750.3145	NA	PeJP	NA	NA
+PJ027107	GQEMMR 	C28H50N10O10S2	750.3153	NA	PeJP	NA	NA
+PJ027108	TQMWW 	C36H46N8O8S	750.3159	NA	PeJP	NA	NA
+PJ027109	GATMWW 	C36H46N8O8S	750.316	NA	PeJP	NA	NA
+PJ027110	STTQEW 	C32H46N8O13	750.3184	NA	PeJP	NA	NA
+PJ027111	SSDKEW 	C32H46N8O13	750.3185	NA	PeJP	NA	NA
+PJ027112	GVQMMW 	C33H50N8O8S2	750.3193	NA	PeJP	NA	NA
+PJ027113	GSQHHW 	C33H42N12O9	750.3198	NA	PeJP	NA	NA
+PJ027114	SQKEEM 	C29H50N8O13S	750.3218	NA	PeJP	NA	NA
+MJ093014	Amonabactin P 750 	C37H46N6O11	750.322456	NA	MeJP	NA	NA
+PJ027115	DKYYY 	C37H46N6O11	750.3225	NA	PeJP	NA	NA
+PJ027116	PNKMMM 	C30H54N8O8S3	750.3227	NA	PeJP	NA	NA
+PJ027117	AQQMHH 	C30H46N12O9S	750.3232	NA	PeJP	NA	NA
+MJ093015	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,8-Dibenzoyl, 2-hexanoyl, 6,9,14-tri-Ac 	C41H50O13	750.325141	NA	MeJP	NA	NA
+PJ027118	SSSSNNR 	C26H46N12O14	750.3257	NA	PeJP	NA	NA
+PJ027119	PVEEMF 	C34H50N6O11S	750.3259	NA	PeJP	NA	NA
+PJ027120	CCNQKR 	C27H50N12O9S2	750.3265	NA	PeJP	NA	NA
+PJ027121	GCEMRR 	C27H50N12O9S2	750.3266	NA	PeJP	NA	NA
+PJ027122	TCRWW 	C35H46N10O7S	750.3272	NA	PeJP	NA	NA
+PJ027123	VLEEMM 	C31H54N6O11S2	750.3292	NA	PeJP	NA	NA
+PJ027124	SSSERW 	C31H46N10O12	750.3297	NA	PeJP	NA	NA
+PJ027125	QMMRW 	C32H50N10O7S2	750.3306	NA	PeJP	NA	NA
+PJ027126	SPHHHH 	C32H42N14O8	750.331	NA	PeJP	NA	NA
+PJ027127	STQEMR 	C28H50N10O12S	750.3331	NA	PeJP	NA	NA
+PJ027128	GTTTWW 	C36H46N8O10	750.3337	NA	PeJP	NA	NA
+PJ027129	GNMHHR 	C29H46N14O8S	750.3344	NA	PeJP	NA	NA
+PJ027130	GTKEMW 	C33H50N8O10S	750.3371	NA	PeJP	NA	NA
+PJ027131	QFFFY 	C41H46N6O8	750.3377	NA	PeJP	NA	NA
+PJ027132	GSTTKEE 	C29H50N8O15	750.3396	NA	PeJP	NA	NA
+PJ027133	VNKEMM 	C30H54N8O10S2	750.3405	NA	PeJP	NA	NA
+PJ027134	GNNQRY 	C30H46N12O11	750.3409	NA	PeJP	NA	NA
+PJ027135	GGGGGGARY 	C30H46N12O11	750.341	NA	PeJP	NA	NA
+PJ027136	KMFYY 	C38H50N6O8S	750.3411	NA	PeJP	NA	NA
+PJ027137	CMRRW 	C31H50N12O6S2	750.3418	NA	PeJP	NA	NA
+PJ027138	PTLEEY 	C34H50N6O13	750.3436	NA	PeJP	NA	NA
+PJ027139	SSDMRR 	C27H50N12O11S	750.3443	NA	PeJP	NA	NA
+PJ027140	PPLMMY 	C35H54N6O8S2	750.3445	NA	PeJP	NA	NA
+PJ027141	NEFRW 	C35H46N10O9	750.3449	NA	PeJP	NA	NA
+PJ027142	GGEFRW 	C35H46N10O9	750.345	NA	PeJP	NA	NA
+2863	NA	YPFVEP	750.345	antibacterial	Inhouse_peptide	NA	peptide
+3647	stimulating g-interferon production peptide	GSFRPSQQNPQAQG	750.34545	MH2+	Inhouse_peptide	NA	peptide
+PJ027143	GTTMRW 	C32H50N10O9S	750.3483	NA	PeJP	NA	NA
+PJ027144	VNFWW 	C40H46N8O7	750.349	NA	PeJP	NA	NA
+PJ027145	GSTTTER 	C28H50N10O14	750.3508	NA	PeJP	NA	NA
+PJ027146	GKEMMR 	C29H54N10O9S2	750.3517	NA	PeJP	NA	NA
+PJ027147	SSQHHR 	C29H46N14O10	750.3522	NA	PeJP	NA	NA
+PJ027148	TKMWW 	C37H50N8O7S	750.3523	NA	PeJP	NA	NA
+PJ027149	GLMHFF 	C37H50N8O7S	750.3524	NA	PeJP	NA	NA
+PJ027150	STTKEW 	C33H50N8O12	750.3548	NA	PeJP	NA	NA
+PJ027151	GGVVQEY 	C33H50N8O12	750.3549	NA	PeJP	NA	NA
+PJ027152	GVKMMW 	C34H54N8O7S2	750.3557	NA	PeJP	NA	NA
+PJ027153	GSKHHW 	C34H46N12O8	750.3562	NA	PeJP	NA	NA
+PJ027154	SKKEEM 	C30H54N8O12S	750.3582	NA	PeJP	NA	NA
+PJ027155	PPVEFY 	C38H50N6O10	750.3589	NA	PeJP	NA	NA
+PJ027156	GPCRRY 	C31H50N12O8S	750.3596	NA	PeJP	NA	NA
+PJ027157	GFRWW 	C39H46N10O6	750.3602	NA	PeJP	NA	NA
+PJ027158	PVLEMY 	C35H54N6O10S	750.3622	NA	PeJP	NA	NA
+PJ027159	GTMMRR 	C28H54N12O8S2	750.3629	NA	PeJP	NA	NA
+PJ027160	STTTRW 	C32H50N10O11	750.3661	NA	PeJP	NA	NA
+PJ027161	KMMRW 	C33H54N10O6S2	750.367	NA	PeJP	NA	NA
+PJ027162	ALHHHH 	C33H46N14O7	750.3674	NA	PeJP	NA	NA
+PJ027163	STKEMR 	C29H54N10O11S	750.3694	NA	PeJP	NA	NA
+PJ027164	TTDKMR 	C29H54N10O11S	750.3695	NA	PeJP	NA	NA
+PJ027165	GPTKYW 	C37H50N8O9	750.3701	NA	PeJP	NA	NA
+PJ027166	ACKHHR 	C30H50N14O7S	750.3708	NA	PeJP	NA	NA
+PJ027167	SSLKMW 	C34H54N8O9S	750.3735	NA	PeJP	NA	NA
+PJ027168	KFFFY 	C42H50N6O7	750.3741	NA	PeJP	NA	NA
+PJ027169	SSSTLKE 	C30H54N8O14	750.376	NA	PeJP	NA	NA
+PJ027170	TLQKMM 	C31H58N8O9S2	750.3768	NA	PeJP	NA	NA
+PJ027171	VDKKMM 	C31H58N8O9S2	750.3769	NA	PeJP	NA	NA
+PJ027172	QERRY 	C31H50N12O10	750.3773	NA	PeJP	NA	NA
+PJ027173	PPLMFF 	C39H54N6O7S	750.3775	NA	PeJP	NA	NA
+PJ027174	VVLEEY 	C35H54N6O12	750.38	NA	PeJP	NA	NA
+PJ027175	STTMRR 	C28H54N12O10S	750.3807	NA	PeJP	NA	NA
+PJ027176	PLLMMF 	C36H58N6O7S2	750.3809	NA	PeJP	NA	NA
+PJ027177	VQRYW 	C36H50N10O8	750.3813	NA	PeJP	NA	NA
+PJ027178	GGPVVHW 	C36H50N10O8	750.3814	NA	PeJP	NA	NA
+PJ027179	LLLMMM 	C33H62N6O7S3	750.3842	NA	PeJP	NA	NA
+PJ027180	GPKMRY 	C33H54N10O8S	750.3847	NA	PeJP	NA	NA
+PJ027181	SSSTTLR 	C29H54N10O13	750.3872	NA	PeJP	NA	NA
+PJ027182	SVKMMR 	C30H58N10O8S2	750.3881	NA	PeJP	NA	NA
+PJ027183	GPEHRR 	C30H50N14O9	750.3886	NA	PeJP	NA	NA
+PJ027184	SPKKEY 	C34H54N8O11	750.3912	NA	PeJP	NA	NA
+PJ027185	AAAPPPVE 	C34H54N8O11	750.3913	NA	PeJP	NA	NA
+PJ027186	ARRYW 	C35H50N12O7	750.3926	NA	PeJP	NA	NA
+MJ093016	N-[1-[[4-[[[[4-[(Dimethylamino)methyl]cyclohexyl]methyl]amino]iminomethyl]phenyl]methyl]-2-oxo-2-(1-pyrrolidinyl)ethyl]-?-[(2-naphthalenylsulfonyl)amino]benzenepropanamide 	C43H54N6O4S	750.392724	NA	MeJP	NA	NA
+PJ027187	GTTTLKM 	C31H58N8O11S	750.3946	NA	PeJP	NA	NA
+PJ027188	PPVLYY 	C39H54N6O9	750.3953	NA	PeJP	NA	NA
+PJ027189	AAMFRR 	C32H54N12O7S	750.396	NA	PeJP	NA	NA
+PJ027190	VLLEMF 	C36H58N6O9S	750.3986	NA	PeJP	NA	NA
+MJ093017	Cabufiline 	C44H54N4O7	750.39925	NA	MeJP	NA	NA
+MJ093018	Conodiparine A 	C44H54N4O7	750.39925	NA	MeJP	NA	NA
+MJ093019	Conodiparine B 	C44H54N4O7	750.39925	NA	MeJP	NA	NA
+MJ093020	Leurosine; 16'-Demethoxycarbonyl 	C44H54N4O7	750.39925	NA	MeJP	NA	NA
+MJ093021	Leurosine; Deacetoxy 	C44H54N4O7	750.39925	NA	MeJP	NA	NA
+MJ093022	Peceylanine 	C44H54N4O7	750.39925	NA	MeJP	NA	NA
+PJ027191	GVKERY 	C33H54N10O10	750.4025	NA	PeJP	NA	NA
+PJ027192	PHRRW 	C34H50N14O6	750.4038	NA	PeJP	NA	NA
+PJ027193	GSTCKKK 	C30H58N10O10S	750.4058	NA	PeJP	NA	NA
+PJ027194	AALKYW 	C38H54N8O8	750.4065	NA	PeJP	NA	NA
+PJ027195	PCLKKY 	C35H58N8O8S	750.4099	NA	PeJP	NA	NA
+PJ027196	STTTTLK 	C31H58N8O13	750.4123	NA	PeJP	NA	NA
+PJ027197	TLKKMM 	C32H62N8O8S2	750.4132	NA	PeJP	NA	NA
+PJ027198	KERRY 	C32H54N12O9	750.4137	NA	PeJP	NA	NA
+PJ027199	TLLLEY 	C36H58N6O11	750.4164	NA	PeJP	NA	NA
+PJ027200	VKRYW 	C37H54N10O7	750.4177	NA	PeJP	NA	NA
+MJ093023	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C40H62O13	750.419042	NA	MeJP	NA	NA
+PJ027201	GLKMFR 	C34H58N10O7S	750.4211	NA	PeJP	NA	NA
+PJ027202	SSSSKKK 	C30H58N10O12	750.4236	NA	PeJP	NA	NA
+PJ027203	TRRRY 	C31H54N14O8	750.4249	NA	PeJP	NA	NA
+PJ027204	ALKKEY 	C35H58N8O10	750.4276	NA	PeJP	NA	NA
+PJ027205	PVLLFY 	C40H58N6O8	750.4316	NA	PeJP	NA	NA
+MJ093024	Exsertifolin A 	C44H62O10	750.434298	NA	MeJP	NA	NA
+PJ027206	VLLLMY 	C37H62N6O8S	750.435	NA	PeJP	NA	NA
+PJ027207	ANKKKY 	C34H58N10O9	750.4388	NA	PeJP	NA	NA
+PJ027208	ATLKRY 	C34H58N10O9	750.4389	NA	PeJP	NA	NA
+PJ027209	VVKKMF 	C36H62N8O7S	750.4463	NA	PeJP	NA	NA
+PJ027210	PTLKHR 	C33H58N12O8	750.4501	NA	PeJP	NA	NA
+C08954	alpha-Hederin	C41H66O12	750.4554	NA	KEGG	NA	NA
+MJ093025	11,13(18)-Oleanadiene-1,3,22-triol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093026	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093027	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093028	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093029	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093030	3-Hydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093031	3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093032	3-Hydroxy-12-ursen-28-oic acid, 3-O-[L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093033	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093034	3-Hydroxy-27-nor-12-oleanen-28-oic acid, 3-O-(6-Deoxy-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093035	3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-(6-Deoxy-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093036	3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093037	3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093038	3-Hydroxylanosta-8,24-dien-30-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093039	Anemoclemoside A; 2'-O-?-L-Rhamnopyranoside 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093040	Cephalaroside C 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093041	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093042	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093043	Holost-9(11)-ene-3,12-diol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093044	Monactin 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093045	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093046	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093047	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093048	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093049	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093050	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093051	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-galactopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093052	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucopyranoside] 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093053	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucopyranoside, 28-O-?-D-xylopyranosyl ester 	C41H66O12	750.455427	NA	MeJP	NA	NA
+MJ093054	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O12	750.455427	NA	MeJP	NA	NA
+PJ027211	GLLHRR 	C32H58N14O7	750.4613	NA	PeJP	NA	NA
+PJ027212	SLLKKY 	C36H62N8O9	750.464	NA	PeJP	NA	NA
+PJ027213	VLLLFF 	C41H62N6O7	750.468	NA	PeJP	NA	NA
+PJ027214	GKKKKY 	C35H62N10O8	750.4752	NA	PeJP	NA	NA
+PJ027215	GPPVLLR 	C35H62N10O8	750.4753	NA	PeJP	NA	NA
+PJ027216	PPLLRR 	C34H62N12O7	750.4865	NA	PeJP	NA	NA
+MJ093055	2-Polyprenyl-1,4-benzenediol; 2-Octaprenyl-1,4-benzenediol, 37-Hydroxy, 4-sulfate 	C46H70O6S	750.48931	NA	MeJP	NA	NA
+C15690	Salinomycin	C42H70O11	750.4918	NA	KEGG	NA	NA
+MJ093056	20(29)-Lupene-3,28-diol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H70O11	750.491813	NA	MeJP	NA	NA
+MJ093057	Dunaimycin D2S; 19-Deoxy, 18,19-epoxide, 8-deglycosyloxy 	C42H70O11	750.491813	NA	MeJP	NA	NA
+MJ093058	Salinomycin 	C42H70O11	750.491813	NA	MeJP	NA	NA
+PJ027217	APPLLLK 	C37H66N8O8	750.5004	NA	PeJP	NA	NA
+MJ093059	1,26-Hexacosanediol dicaffeate; 3,3'-Di-Me ether 	C46H70O8	750.507069	NA	MeJP	NA	NA
+PJ027218	LLLKKH 	C36H66N10O7	750.5116	NA	PeJP	NA	NA
+MJ093060	1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 2-(9E-hexadecenoate), 3-O-?-D-Galactopyranoside (2S-) 	C43H74O10	750.528198	NA	MeJP	NA	NA
+MetaCyc04097	1-18:2-2-16:2-monogalactosyldiacylglycerol []	C43H74O10	750.528199	NA	metacyc	NA	NA
+HMDB10572	PG(16:0/18:0)	C40H79O10P	750.541077	NA	HMDB2010	NA	NA
+HMDB10600	PG(18:0/16:0)	C40H79O10P	750.541077	NA	HMDB2010	NA	NA
+EUR1080	SM(d18:1/18:1) [M+Na]+	C41H81N2O6P	750.565172	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1080	SM(d18:1/18:1) [M+Na]+	C41H81N2O6P	750.565172	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1080	SM(d18:1/18:1) [M+Na]+	C41H81N2O6P	750.565172	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1080	SM(d18:1/18:1) [M+Na]+	C41H81N2O6P	750.565172	masses lipides attendues	Inhousejuil11	NA	NA
+MetaCyc04098	nonaprenyl-4-hydroxybenzoate [4-hydroxybenzoic acid;3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester;]	C52H78O3	750.595096	NA	metacyc	NA	NA
+C03885	3-Nonaprenyl-4-hydroxybenzoate	C52H78O3	750.5951	NA	KEGG	NA	NA
+C03886	Nucleoside 5'-phosphoacylate	C6H9O8PR2	750.5951	NA	KEGG	NA	NA
+HMDB07790	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)	C49H82O5	750.616211	NA	HMDB2010	NA	NA
+HMDB07846	DG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C49H82O5	750.616211	NA	HMDB2010	NA	NA
+MJ093061	Solanochromene; 3,4-Dihydro 	C53H82O2	750.631481	NA	MeJP	NA	NA
+C16695	Plastoquinol-9	C53H82O2	750.6315	NA	KEGG	NA	NA
+MetaCyc04099	undecaprenyl group []	C55H90	750.704253	NA	metacyc	NA	NA
+5457	aurein 2,1,1	LDIVKKVVGAFGSLG	750.9354	MH2+	Inhouse_peptide	NA	peptide
+PJ027219	CCCCCCD 	C22H37N7O10S6	751.0926	NA	PeJP	NA	NA
+PJ027220	SCCCCCM 	C23H41N7O9S6	751.129	NA	PeJP	NA	NA
+PJ027221	ACCCCCF 	C27H41N7O8S5	751.162	NA	PeJP	NA	NA
+PJ027222	GCCCDDH 	C25H37N9O12S3	751.1724	NA	PeJP	NA	NA
+PJ027223	GTCCCCY 	C27H41N7O10S4	751.1798	NA	PeJP	NA	NA
+PJ027224	SPCCCCH 	C26H41N9O9S4	751.191	NA	PeJP	NA	NA
+PJ027225	SSSCCCY 	C27H41N7O12S3	751.1976	NA	PeJP	NA	NA
+PJ027226	GCNNDDD 	C25H37N9O16S	751.2079	NA	PeJP	NA	NA
+PJ027227	GGGGGCDDD 	C25H37N9O16S	751.208	NA	PeJP	NA	NA
+PJ027228	GSCCDMH 	C26H41N9O11S3	751.2088	NA	PeJP	NA	NA
+PJ027229	CCCNFY 	C31H41N7O9S3	751.2128	NA	PeJP	NA	NA
+PJ027230	GSDDDDE 	C26H37N7O19	751.2145	NA	PeJP	NA	NA
+PJ027231	GPCDDDM 	C27H41N7O14S2	751.2153	NA	PeJP	NA	NA
+PJ027232	TCCCHW 	C30H41N9O8S3	751.2241	NA	PeJP	NA	NA
+PJ027233	SSSCCEH 	C26H41N9O13S2	751.2266	NA	PeJP	NA	NA
+PJ027234	CCQMMH 	C27H45N9O8S4	751.2274	NA	PeJP	NA	NA
+PJ027235	SDDDDW 	C30H37N7O16	751.2297	NA	PeJP	NA	NA
+PJ027236	PCCDEW 	C31H41N7O11S2	751.2306	NA	PeJP	NA	NA
+PJ027237	NDDEEM 	C27H41N7O16S	751.2331	NA	PeJP	NA	NA
+PJ027238	SPPCCDM 	C28H45N7O11S3	751.2339	NA	PeJP	NA	NA
+PJ027239	GCCNNNQ 	C25H41N11O12S2	751.2378	NA	PeJP	NA	NA
+PJ027240	CCCMHR 	C26H45N11O7S4	751.2387	NA	PeJP	NA	NA
+PJ027241	CCNEHF 	C30H41N9O10S2	751.2418	NA	PeJP	NA	NA
+PJ027242	CDDDER 	C26H41N9O15S	751.2443	NA	PeJP	NA	NA
+PJ027243	GSSCMMH 	C27H45N9O10S3	751.2452	NA	PeJP	NA	NA
+PJ027244	GDDEMW 	C31H41N7O13S	751.2483	NA	PeJP	NA	NA
+PJ027245	GSSDEEE 	C27H41N7O18	751.2508	NA	PeJP	NA	NA
+PJ027246	GSPDDMM 	C28H45N7O13S2	751.2517	NA	PeJP	NA	NA
+PJ027247	NDDDHH 	C28H37N11O14	751.2522	NA	PeJP	NA	NA
+PJ027248	APPCCMM 	C29H49N7O8S4	751.2526	NA	PeJP	NA	NA
+PJ027249	SSCNNNN 	C25H41N11O14S	751.2555	NA	PeJP	NA	NA
+PJ027250	GGGGSSCNN 	C25H41N11O14S	751.2556	NA	PeJP	NA	NA
+PJ027251	GPCCCNR 	C26H45N11O9S3	751.2564	NA	PeJP	NA	NA
+PJ027252	GCCHFW 	C34H41N9O7S2	751.2571	NA	PeJP	NA	NA
+PJ027253	SCNNEW 	C30H41N9O12S	751.2596	NA	PeJP	NA	NA
+MJ093062	Neocoprogen I 	C31H47FeN6O12	751.260138	NA	MeJP	NA	NA
+PJ027254	SSSNNDE 	C26H41N9O17	751.2621	NA	PeJP	NA	NA
+PJ027255	SSSTCMH 	C27H45N9O12S2	751.2629	NA	PeJP	NA	NA
+PJ027256	GGGGNEMM 	C27H45N9O12S2	751.263	NA	PeJP	NA	NA
+PJ027257	DDMWW 	C35H41N7O10S	751.2636	NA	PeJP	NA	NA
+PJ027258	CCKMMH 	C28H49N9O7S4	751.2638	NA	PeJP	NA	NA
+PJ027259	SSDEEW 	C31H41N7O15	751.2661	NA	PeJP	NA	NA
+PJ027260	SPCEMW 	C32H45N7O10S2	751.267	NA	PeJP	NA	NA
+PJ027261	SQEEEM 	C28H45N7O15S	751.2695	NA	PeJP	NA	NA
+PJ027262	DEYYY 	C36H41N5O13	751.2701	NA	PeJP	NA	NA
+PJ027263	PNEMMM 	C29H49N7O10S3	751.2703	NA	PeJP	NA	NA
+PJ027264	GSPCDHH 	C29H41N11O11S	751.2708	NA	PeJP	NA	NA
+PJ027265	CNNDMR 	C26H45N11O11S2	751.2742	NA	PeJP	NA	NA
+PJ027266	GSCNWW 	C34H41N9O9S	751.2748	NA	PeJP	NA	NA
+PJ027267	GSSSNDW 	C30H41N9O14	751.2773	NA	PeJP	NA	NA
+PJ027268	GGGGGGDEF 	C30H41N9O14	751.2774	NA	PeJP	NA	NA
+PJ027269	GNNMMW 	C31H45N9O9S2	751.2782	NA	PeJP	NA	NA
+PJ027270	SDDEMR 	C27H45N9O14S	751.2807	NA	PeJP	NA	NA
+PJ027271	GPDDYW 	C35H41N7O12	751.2814	NA	PeJP	NA	NA
+PJ027272	PCDMMR 	C28H49N9O9S3	751.2816	NA	PeJP	NA	NA
+PJ027273	CNNQHH 	C28H41N13O10S	751.282	NA	PeJP	NA	NA
+PJ027274	GGGGCQHH 	C28H41N13O10S	751.2821	NA	PeJP	NA	NA
+PJ027275	PPCCFW 	C36H45N7O7S2	751.2822	NA	PeJP	NA	NA
+PJ027276	GTEEMW 	C32H45N7O12S	751.2847	NA	PeJP	NA	NA
+PJ027277	GPMMMW 	C33H49N7O7S3	751.2856	NA	PeJP	NA	NA
+PJ027278	GSTTEEE 	C28H45N7O17	751.2872	NA	PeJP	NA	NA
+PJ027279	VNEEMM 	C29H49N7O12S2	751.2881	NA	PeJP	NA	NA
+PJ027280	NNNNNY 	C29H41N11O13	751.2885	NA	PeJP	NA	NA
+PJ027281	GGNNNNY 	C29H41N11O13	751.2886	NA	PeJP	NA	NA
+PJ027282	EMFYY 	C37H45N5O10S	751.2887	NA	PeJP	NA	NA
+PJ027283	GCCQRW 	C30H45N11O8S2	751.2894	NA	PeJP	NA	NA
+PJ027284	GSSCNER 	C26H45N11O13S	751.2919	NA	PeJP	NA	NA
+PJ027285	GNNDFW 	C34H41N9O11	751.2926	NA	PeJP	NA	NA
+PJ027286	SSNQMW 	C31H45N9O11S	751.2959	NA	PeJP	NA	NA
+PJ027287	GGGGSTMW 	C31H45N9O11S	751.296	NA	PeJP	NA	NA
+PJ027288	SSSSQQE 	C27H45N9O16	751.2984	NA	PeJP	NA	NA
+PJ027289	GGSSSTQE 	C27H45N9O16	751.2985	NA	PeJP	NA	NA
+PJ027290	GEEMMR 	C28H49N9O11S2	751.2993	NA	PeJP	NA	NA
+PJ027291	GSSNNHH 	C28H41N13O12	751.2998	NA	PeJP	NA	NA
+PJ027292	TEMWW 	C36H45N7O9S	751.3	NA	PeJP	NA	NA
+PJ027293	PCCHHR 	C29H45N13O7S2	751.3007	NA	PeJP	NA	NA
+PJ027294	STTEEW 	C32H45N7O14	751.3025	NA	PeJP	NA	NA
+PJ027295	AVDMMW 	C33H49N7O9S2	751.3033	NA	PeJP	NA	NA
+PJ027296	GVEMMW 	C33H49N7O9S2	751.3034	NA	PeJP	NA	NA
+PJ027297	GSEHHW 	C33H41N11O10	751.3038	NA	PeJP	NA	NA
+PJ027298	AATTEEM 	C29H49N7O14S	751.3058	NA	PeJP	NA	NA
+PJ027299	SKEEEM 	C29H49N7O14S	751.3059	NA	PeJP	NA	NA
+PJ027300	PDKMMM 	C30H53N7O9S3	751.3067	NA	PeJP	NA	NA
+PJ027301	SSCNRW 	C30H45N11O10S	751.3072	NA	PeJP	NA	NA
+PJ027302	SSSSNDR 	C26H45N11O15	751.3097	NA	PeJP	NA	NA
+PJ027303	SCQQMR 	C27H49N11O10S2	751.3105	NA	PeJP	NA	NA
+PJ027304	SNNMMR 	C27H49N11O10S2	751.3106	NA	PeJP	NA	NA
+PJ027305	GNMHFF 	C35H45N9O8S	751.3112	NA	PeJP	NA	NA
+PJ027306	GSSSTQW 	C31H45N9O13	751.3137	NA	PeJP	NA	NA
+PJ027307	EMMRW 	C32H49N9O8S2	751.3146	NA	PeJP	NA	NA
+PJ027308	STEEMR 	C28H49N9O13S	751.3171	NA	PeJP	NA	NA
+PJ027309	GPTEYW 	C36H45N7O11	751.3177	NA	PeJP	NA	NA
+PJ027310	SPMMMR 	C29H53N9O8S3	751.3179	NA	PeJP	NA	NA
+PJ027311	APCCCKK 	C29H53N9O8S3	751.318	NA	PeJP	NA	NA
+PJ027312	GDMHHR 	C29H45N13O9S	751.3184	NA	PeJP	NA	NA
+PJ027313	VMMWW 	C37H49N7O6S2	751.3186	NA	PeJP	NA	NA
+PJ027314	SHHWW 	C37H41N11O7	751.3191	NA	PeJP	NA	NA
+MJ093063	Antibiotic TMF 518D 	C40H49NO13	751.32039	NA	MeJP	NA	NA
+PJ027315	SSLEMW 	C33H49N7O11S	751.3211	NA	PeJP	NA	NA
+PJ027316	PFYYY 	C41H45N5O9	751.3217	NA	PeJP	NA	NA
+PJ027317	SCCQRR 	C26H49N13O9S2	751.3218	NA	PeJP	NA	NA
+PJ027318	AAMHHW 	C34H45N11O7S	751.3224	NA	PeJP	NA	NA
+PJ027319	GCLHHW 	C34H45N11O7S	751.3225	NA	PeJP	NA	NA
+PJ027320	SSSTLEE 	C29H49N7O16	751.3236	NA	PeJP	NA	NA
+PJ027321	VDKEMM 	C30H53N7O11S2	751.3245	NA	PeJP	NA	NA
+PJ027322	GNNERY 	C30H45N11O12	751.3249	NA	PeJP	NA	NA
+PJ027323	GGGNERY 	C30H45N11O12	751.325	NA	PeJP	NA	NA
+PJ027324	LMYYY 	C38H49N5O9S	751.3251	NA	PeJP	NA	NA
+PJ027325	GCCKRW 	C31H49N11O7S2	751.3258	NA	PeJP	NA	NA
+PJ027326	GQHHHH 	C31H41N15O8	751.3263	NA	PeJP	NA	NA
+PJ027327	GSSSQMR 	C27H49N11O12S	751.3283	NA	PeJP	NA	NA
+PJ027328	QQQYW 	C35H45N9O10	751.329	NA	PeJP	NA	NA
+PJ027329	SSNKMW 	C32H49N9O10S	751.3323	NA	PeJP	NA	NA
+PJ027330	GGGAPCKY 	C32H49N9O10S	751.3324	NA	PeJP	NA	NA
+PJ027331	PTYWW 	C40H45N7O8	751.333	NA	PeJP	NA	NA
+PJ027332	SSSSQKE 	C28H49N9O15	751.3348	NA	PeJP	NA	NA
+PJ027333	SVEMMR 	C29H53N9O10S2	751.3357	NA	PeJP	NA	NA
+PJ027334	SSEHHR 	C29H45N13O11	751.3362	NA	PeJP	NA	NA
+PJ027335	GPVMYW 	C37H49N7O8S	751.3364	NA	PeJP	NA	NA
+PJ027336	SSPPTTY 	C33H49N7O13	751.3388	NA	PeJP	NA	NA
+PJ027337	SPKEEY 	C33H49N7O13	751.3389	NA	PeJP	NA	NA
+PJ027338	GSSSCRR 	C26H49N13O11S	751.3395	NA	PeJP	NA	NA
+PJ027339	ATLMMW 	C34H53N7O8S2	751.3397	NA	PeJP	NA	NA
+PJ027340	NNRYW 	C34H45N11O9	751.3402	NA	PeJP	NA	NA
+PJ027341	GTTTLEM 	C30H53N7O13S	751.3422	NA	PeJP	NA	NA
+PJ027342	VLQMMM 	C31H57N7O8S3	751.3431	NA	PeJP	NA	NA
+PJ027343	GNQMFR 	C31H49N11O9S	751.3436	NA	PeJP	NA	NA
+PJ027344	SSSSTQR 	C27H49N11O14	751.3461	NA	PeJP	NA	NA
+7728	NA	PGANSGGMWFGPRLG	751.34665	MH2+	Inhouse_peptide	NA	peptide
+PJ027345	SCQKMR 	C28H53N11O9S2	751.3469	NA	PeJP	NA	NA
+PJ027346	GGTCKMR 	C28H53N11O9S2	751.347	NA	PeJP	NA	NA
+PJ027347	PMRYW 	C36H49N9O7S	751.3476	NA	PeJP	NA	NA
+PJ027348	GSSSTKW 	C32H49N9O12	751.3501	NA	PeJP	NA	NA
+PJ027349	GCKKMW 	C33H53N9O7S2	751.351	NA	PeJP	NA	NA
+PJ027350	PPQHHH 	C33H45N13O8	751.3514	NA	PeJP	NA	NA
+PJ027351	GSSDKKM 	C29H53N9O12S	751.3535	NA	PeJP	NA	NA
+PJ027352	AALEYW 	C37H49N7O10	751.3541	NA	PeJP	NA	NA
+PJ027353	ALMMMR 	C30H57N9O7S3	751.3543	NA	PeJP	NA	NA
+PJ027354	GCNFRR 	C30H49N13O8S	751.3548	NA	PeJP	NA	NA
+PJ027355	TTTLMW 	C34H53N7O10S	751.3575	NA	PeJP	NA	NA
+PJ027356	LFFYY 	C42H49N5O8	751.3581	NA	PeJP	NA	NA
+PJ027357	SCCKRR 	C27H53N13O8S2	751.3582	NA	PeJP	NA	NA
+PJ027358	STTTTLE 	C30H53N7O15	751.36	NA	PeJP	NA	NA
+PJ027359	TLKEMM 	C31H57N7O10S2	751.3609	NA	PeJP	NA	NA
+PJ027360	EERRY 	C31H49N11O11	751.3613	NA	PeJP	NA	NA
+PJ027361	GGGPPPDR 	C31H49N11O11	751.3614	NA	PeJP	NA	NA
+PJ027362	GKHHHH 	C32H45N15O7	751.3627	NA	PeJP	NA	NA
+PJ027363	GSSSKMR 	C28H53N11O11S	751.3647	NA	PeJP	NA	NA
+PJ027364	LDRYW 	C36H49N9O9	751.3653	NA	PeJP	NA	NA
+PJ027365	VERYW 	C36H49N9O9	751.3654	NA	PeJP	NA	NA
+PJ027366	STCKKW 	C33H53N9O9S	751.3687	NA	PeJP	NA	NA
+PJ027367	VVYWW 	C41H49N7O7	751.3694	NA	PeJP	NA	NA
+PJ027368	SSSSKKE 	C29H53N9O14	751.3712	NA	PeJP	NA	NA
+PJ027369	TTLMMR 	C30H57N9O9S2	751.3721	NA	PeJP	NA	NA
+PJ027370	GSNRRY 	C30H49N13O10	751.3726	NA	PeJP	NA	NA
+PJ027371	GVLMFW 	C38H53N7O7S	751.3728	NA	PeJP	NA	NA
+PJ027372	ALKEEY 	C34H53N7O12	751.3752	NA	PeJP	NA	NA
+PJ027373	VVDKEY 	C34H53N7O12	751.3753	NA	PeJP	NA	NA
+PJ027374	PVKMMF 	C35H57N7O7S2	751.3761	NA	PeJP	NA	NA
+PJ027375	GPQKHW 	C35H49N11O8	751.3766	NA	PeJP	NA	NA
+PJ027376	SSTTLLM 	C31H57N7O12S	751.3786	NA	PeJP	NA	NA
+PJ027377	VLKMMM 	C32H61N7O7S3	751.3795	NA	PeJP	NA	NA
+PJ027378	GNKMFR 	C32H53N11O8S	751.38	NA	PeJP	NA	NA
+PJ027379	PFFRW 	C40H49N9O6	751.3806	NA	PeJP	NA	NA
+PJ027380	SSSSTKR 	C28H53N11O13	751.3824	NA	PeJP	NA	NA
+PJ027381	SCKKMR 	C29H57N11O8S2	751.3833	NA	PeJP	NA	NA
+PJ027382	LMFRW 	C37H53N9O6S	751.384	NA	PeJP	NA	NA
+PJ027383	ATLERY 	C33H53N9O11	751.3865	NA	PeJP	NA	NA
+PJ027384	GVHHFR 	C34H49N13O7	751.3878	NA	PeJP	NA	NA
+PJ027385	ASSTKKM 	C30H57N9O11S	751.3898	NA	PeJP	NA	NA
+PJ027386	GSTTKKM 	C30H57N9O11S	751.3899	NA	PeJP	NA	NA
+PJ027387	GTLLYW 	C38H53N7O9	751.3905	NA	PeJP	NA	NA
+PJ027388	PTLKMY 	C35H57N7O9S	751.3939	NA	PeJP	NA	NA
+PJ027389	GTQKRY 	C32H53N11O10	751.3977	NA	PeJP	NA	NA
+PJ027390	HHFRR 	C33H49N15O6	751.3991	NA	PeJP	NA	NA
+PJ027391	QKKYW 	C37H53N9O8	751.4017	NA	PeJP	NA	NA
+PJ027392	GAPPPKW 	C37H53N9O8	751.4018	NA	PeJP	NA	NA
+MJ093064	Bufotalin; 3-(1-Methylhistidinylsuberoyl) 	C41H57N3O10	751.404395	NA	MeJP	NA	NA
+MJ093065	Bufotalin; 3-(3-Methylhistidinylsuberoyl) 	C41H57N3O10	751.404395	NA	MeJP	NA	NA
+PJ027393	GLLMRY 	C34H57N9O8S	751.4051	NA	PeJP	NA	NA
+PJ027394	SSTTTKK 	C30H57N9O13	751.4076	NA	PeJP	NA	NA
+PJ027395	SKKKMM 	C31H61N9O8S2	751.4085	NA	PeJP	NA	NA
+PJ027396	SPQKHR 	C31H53N13O9	751.4089	NA	PeJP	NA	NA
+PJ027397	PTNKHR 	C31H53N13O9	751.409	NA	PeJP	NA	NA
+PJ027398	SLLKEY 	C35H57N7O11	751.4116	NA	PeJP	NA	NA
+PJ027399	GPKKHW 	C36H53N11O7	751.413	NA	PeJP	NA	NA
+MJ093066	Germine; 1?-Acetoxy, O3-(2?-hydroxy-2-methylbutanoyl), O15-(2-methylbutanoyl) 	C39H61NO13	751.414291	NA	MeJP	NA	NA
+MJ093067	Germine; O3-(2R,3R)-2,3-Dihydroxy-2-methylbutanoyl, O15-(R)-2-methylbutanoyl, O7-Ac 	C39H61NO13	751.414291	NA	MeJP	NA	NA
+MJ093068	Germine; O3-(2S,3R)-(2-Hydroxy-2-methyl-3-acetoxybutanoyl), O15-(R)-2-methylbutanoyl 	C39H61NO13	751.414291	NA	MeJP	NA	NA
+MJ093069	Protoverine; O6-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-2-hydroxy-2-methylbutanoyl 	C39H61NO13	751.414291	NA	MeJP	NA	NA
+PJ027400	ACKKFR 	C33H57N11O7S	751.4164	NA	PeJP	NA	NA
+PJ027401	GVQHRR 	C30H53N15O8	751.4202	NA	PeJP	NA	NA
+PJ027402	STLLRY 	C34H57N9O10	751.4229	NA	PeJP	NA	NA
+PJ027403	PVVKFY 	C39H57N7O8	751.4269	NA	PeJP	NA	NA
+3920	aurein 1,1,	GLFDIIKKIAESIG	751.4279	MH2+	Inhouse_peptide	NA	peptide
+5454	aurein 1,1	GLFDIIKKIAESIG	751.4279	MH2+	Inhouse_peptide	NA	peptide
+PJ027404	VVLKMY 	C36H61N7O8S	751.4303	NA	PeJP	NA	NA
+PJ027405	QHRRR 	C29H53N17O7	751.4314	NA	PeJP	NA	NA
+PJ027406	GTKKRY 	C33H57N11O9	751.4341	NA	PeJP	NA	NA
+PJ027407	KKKYW 	C38H57N9O7	751.4381	NA	PeJP	NA	NA
+PJ027408	AKKKMF 	C35H61N9O7S	751.4415	NA	PeJP	NA	NA
+PJ027409	PPVQRR 	C32H57N13O8	751.4453	NA	PeJP	NA	NA
+PJ027410	GGPPLRR 	C32H57N13O8	751.4454	NA	PeJP	NA	NA
+PJ027411	APPLLLE 	C36H61N7O10	751.448	NA	PeJP	NA	NA
+MJ093070	Erythromycin; 8-Fluoro 	C37H66FNO13	751.451819	NA	MeJP	NA	NA
+PJ027412	APPRRR 	C31H57N15O7	751.4566	NA	PeJP	NA	NA
+PJ027413	SVKKKY 	C35H61N9O9	751.4592	NA	PeJP	NA	NA
+PJ027414	TTKKKF 	C35H61N9O9	751.4593	NA	PeJP	NA	NA
+PJ027415	VVLKFF 	C40H61N7O7	751.4633	NA	PeJP	NA	NA
+PJ027416	KHRRR 	C30H57N17O6	751.4678	NA	PeJP	NA	NA
+PJ027417	TLLLHR 	C34H61N11O8	751.4705	NA	PeJP	NA	NA
+8153	peptide from Okara protein - soybean lipoxygenase-1	TIIPLPV	751.471	stimulating	Inhouse_peptide	NA	peptide
+8154	peptide from Okara protein - soybean lipoxygenase-1	TIIPLPV	751.471	antibacterial	Inhouse_peptide	NA	peptide
+PJ027418	PPVKRR 	C33H61N13O7	751.4817	NA	PeJP	NA	NA
+PJ027419	SPPLLLL 	C37H65N7O9	751.4844	NA	PeJP	NA	NA
+HMDB12312	3-O-Sulfogalactosylceramide (d18:1/14:0)	C38H73NO11S	751.490417	NA	HMDB2010	NA	NA
+PJ027420	GPPILKK 	C36H65N9O8	751.4956	NA	PeJP	NA	NA
+PJ027421	GPPLLKK 	C36H65N9O8	751.4957	NA	PeJP	NA	NA
+PJ027422	VLKKKH 	C35H65N11O7	751.5069	NA	PeJP	NA	NA
+MJ093071	Kailuin; !Kailuin D 	C39H69N5O9	751.509528	NA	MeJP	NA	NA
+EUR935	PC 32:2 [M+Na]+	C40H76NO8P	751.512803	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR935	PC 32:2 [M+Na]+	C40H76NO8P	751.512803	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR935	PC 32:2 [M+Na]+	C40H76NO8P	751.512803	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR935	PC 32:2 [M+Na]+	C40H76NO8P	751.512803	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07885	PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB07916	PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB07917	PC(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08009	PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08233	PC(18:4(6Z,9Z,12Z,15Z)/16:1(9Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08427	PC(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08460	PC(20:4(8Z,11Z,14Z,17Z)/14:1(9Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08492	PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08911	PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB08912	PE(15:0/22:5(7Z,10Z,13Z,16Z,19Z))	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB09615	PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+HMDB09648	PE(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)	C42H74NO8P	751.515198	NA	HMDB2010	NA	NA
+MJ093072	Trichodecenin I 	C38H69N7O8	751.520762	NA	MeJP	NA	NA
+PJ027423	APLLLLL 	C38H69N7O8	751.5208	NA	PeJP	NA	NA
+HMDB05779	GPEtn(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))	C43H78NO7P	751.55157	http://www.hmdb.ca/metabolites/HMDB05779	HMDB	NA	NA
+HMDB05779	GPEtn(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))	C43H78NO7P	751.55157	HMDB05779	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05779	PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09347	PE(20:3(5Z,8Z,11Z)/P-18:1(11Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09348	PE(20:3(5Z,8Z,11Z)/P-18:1(9Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09380	PE(20:3(8Z,11Z,14Z)/P-18:1(11Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09381	PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09412	PE(20:4(5Z,8Z,11Z,14Z)/P-18:0)	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09445	PE(20:4(8Z,11Z,14Z,17Z)/P-18:0)	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB09609	PE(22:4(7Z,10Z,13Z,16Z)/P-16:0)	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB11358	PE(P-16:0/22:4(7Z,10Z,13Z,16Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB11386	PE(P-18:0/20:4(8Z,11Z,14Z,17Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB11416	PE(P-18:1(11Z)/20:3(5Z,8Z,11Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB11417	PE(P-18:1(11Z)/20:3(8Z,11Z,14Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+HMDB11449	PE(P-18:1(9Z)/20:3(5Z,8Z,11Z))	C43H78NO7P	751.551575	NA	HMDB2010	NA	NA
+EUR1042	SM(d18:0/16:0) [M+FA-H]-	C39H82N2O6P	751.595931	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1042	SM(d18:0/16:0) [M+FA-H]-	C39H82N2O6P	751.595931	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1042	SM(d18:0/16:0) [M+FA-H]-	C39H82N2O6P	751.595931	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1042	SM(d18:0/16:0) [M+FA-H]-	C39H82N2O6P	751.595931	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093073	3-Amino-2,4,6-triiodobenzoic acid; N-Ac, N-Methylglucamine salt 	C16H23I3N2O8	751.858845	NA	MeJP	NA	NA
+3006	kinases inhibitor	KKALYRQEAVDAL	751.91295	MH2+	Inhouse_peptide	NA	peptide
+3008	kinases inhibitor	KKALRYQEAVDAL	751.91295	MH2+	Inhouse_peptide	NA	peptide
+MJ093074	Emethallicin C 	C34H28N2O10S4	752.062677	NA	MeJP	NA	NA
+MJ093075	Verticillin D; 13,13'-Diketone 	C32H28N6O8S4	752.085144	NA	MeJP	NA	NA
+FL5FAAGS0101	Loropetalin D;Kaempferol 3-(2'',6''-digalloylglucoside);3-[[2,6-bis-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C35H28O19	752.12247	197379-54-7	knapsack	NA	NA
+MJ093076	Astragalin; 2'',6''-Bis-O-(3,4,5-trihydroxybenzoyl) 	C35H28O19	752.122478	NA	MeJP	NA	NA
+MJ093077	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C35H29O19(+)	752.122478	NA	MeJP	NA	NA
+MJ093078	Leptosin K 	C34H36N6O6S4	752.157915	NA	MeJP	NA	NA
+MJ093079	Ribitol; Pentakis(4-hydroxybenzoyl) 	C40H32O15	752.17412	NA	MeJP	NA	NA
+PJ027424	CCCMMY 	C28H44N6O8S5	752.1824	NA	PeJP	NA	NA
+PJ027425	GCCCCQH 	C25H40N10O9S4	752.1863	NA	PeJP	NA	NA
+PJ027426	GCNDDDD 	C25H36N8O17S	752.1919	NA	PeJP	NA	NA
+PJ027427	GGGCDDDD 	C25H36N8O17S	752.192	NA	PeJP	NA	NA
+PJ027428	CCCDFY 	C31H40N6O10S3	752.1968	NA	PeJP	NA	NA
+PJ027429	SSCCCNH 	C25H40N10O11S3	752.204	NA	PeJP	NA	NA
+PJ027430	GGSSCCCH 	C25H40N10O11S3	752.2041	NA	PeJP	NA	NA
+PJ027431	SPCCNDD 	C26H40N8O14S2	752.2106	NA	PeJP	NA	NA
+PJ027432	CCEMMH 	C27H44N8O9S4	752.2114	NA	PeJP	NA	NA
+PJ027433	GAPPCCCC 	C27H44N8O9S4	752.2115	NA	PeJP	NA	NA
+PJ027434	SCCDYY 	C31H40N6O12S2	752.2146	NA	PeJP	NA	NA
+PJ027435	CCCMFF 	C32H44N6O7S4	752.2155	NA	PeJP	NA	NA
+FL5FAAGS0067	Sagittain B	C34H40O19	752.21637	124723-15-5	knapsack	NA	NA
+FL5FAAGS0135	4''''-Acetylsagittatin A;Kaempferol 3-xylosyl(1->2)rhamnoside-7-(4''-acetylrhamnoside)	C34H40O19	752.21637	174284-22-1	knapsack	NA	NA
+MJ093080	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-(4-O-acetyl-?-L-rhamnopyranoside) 	C34H40O19	752.216379	NA	MeJP	NA	NA
+MJ093081	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-L-rhamnopyranoside 	C34H40O19	752.216379	NA	MeJP	NA	NA
+MJ093082	Arillatose A 	C34H40O19	752.216379	NA	MeJP	NA	NA
+MJ093083	Glomeratose E 	C34H40O19	752.216379	NA	MeJP	NA	NA
+PJ027436	DDDEEM 	C27H40N6O17S	752.2171	NA	PeJP	NA	NA
+PJ027437	GCCNNNE 	C25H40N10O13S2	752.2218	NA	PeJP	NA	NA
+PJ027438	GCCCCKH 	C26H44N10O8S4	752.2227	NA	PeJP	NA	NA
+PJ027439	CCDEHF 	C30H40N8O11S2	752.2258	NA	PeJP	NA	NA
+PJ027440	GSNDDDM 	C26H40N8O16S	752.2283	NA	PeJP	NA	NA
+PJ027441	GPCCNEM 	C27H44N8O11S3	752.2292	NA	PeJP	NA	NA
+PJ027442	ACCMYY 	C32H44N6O9S3	752.2332	NA	PeJP	NA	NA
+PJ027443	DDDDHH 	C28H36N10O15	752.2362	NA	PeJP	NA	NA
+PJ027444	CCNNNW 	C29H40N10O10S2	752.2371	NA	PeJP	NA	NA
+PJ027445	SSCNNND 	C25H40N10O15S	752.2395	NA	PeJP	NA	NA
+PJ027446	GGSSCNND 	C25H40N10O15S	752.2396	NA	PeJP	NA	NA
+PJ027447	GPCCCDR 	C26H44N10O10S3	752.2404	NA	PeJP	NA	NA
+PJ027448	SCNDEW 	C30H40N8O13S	752.2436	NA	PeJP	NA	NA
+PJ027449	PCCNMW 	C31H44N8O8S3	752.2445	NA	PeJP	NA	NA
+PJ027450	SSSNDDE 	C26H40N8O18	752.2461	NA	PeJP	NA	NA
+PJ027451	NNDEMM 	C27H44N8O13S2	752.247	NA	PeJP	NA	NA
+PJ027452	TCMMMH 	C28H48N8O8S4	752.2478	NA	PeJP	NA	NA
+PJ027453	PDDDEY 	C31H40N6O16	752.2501	NA	PeJP	NA	NA
+PJ027454	SSCMYY 	C32H44N6O11S2	752.251	NA	PeJP	NA	NA
+MJ093084	Catalpol; 6-O-[(4-Methoxy-Z-cinnamoyl)-(?3)-2,4-di-O-acetyl-?-L-rhamnopyranoside] 	C35H44O18	752.252764	NA	MeJP	NA	NA
+MJ093085	Catalpol; 6-O-[(4-Methoxy-Z-cinnamoyl)-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] 	C35H44O18	752.252764	NA	MeJP	NA	NA
+MJ093086	Catalpol; 6-O-[(4-Methoxycinnamoyl)-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] 	C35H44O18	752.252764	NA	MeJP	NA	NA
+MJ093087	Catalpol; 6-O-[4-methoxycinnamoyl-(?3)-2,4-di-O-acetyl-?-L-rhamnopyranoside] 	C35H44O18	752.252764	NA	MeJP	NA	NA
+PJ027455	SEEEEM 	C28H44N6O16S	752.2535	NA	PeJP	NA	NA
+PJ027456	PDEMMM 	C29H48N6O11S3	752.2543	NA	PeJP	NA	NA
+PJ027457	CNDDMR 	C26H44N10O12S2	752.2582	NA	PeJP	NA	NA
+PJ027458	GSCDWW 	C34H40N8O10S	752.2588	NA	PeJP	NA	NA
+PJ027459	GSSSDDW 	C30H40N8O15	752.2613	NA	PeJP	NA	NA
+PJ027460	GGNDDEF 	C30H40N8O15	752.2614	NA	PeJP	NA	NA
+PJ027461	GNDMMW 	C31H44N8O10S2	752.2622	NA	PeJP	NA	NA
+PJ027462	GSSNEEM 	C27H44N8O15S	752.2647	NA	PeJP	NA	NA
+PJ027463	GSPCQMM 	C28H48N8O10S3	752.2656	NA	PeJP	NA	NA
+PJ027464	CNNEHH 	C28H40N12O11S	752.266	NA	PeJP	NA	NA
+PJ027465	GGCNEHH 	C28H40N12O11S	752.2661	NA	PeJP	NA	NA
+PJ027466	ACCFFY 	C36H44N6O8S2	752.2662	NA	PeJP	NA	NA
+PJ027467	PDDEMF 	C32H44N6O13S	752.2687	NA	PeJP	NA	NA
+PJ027468	GSCCNNR 	C25H44N12O11S2	752.2694	NA	PeJP	NA	NA
+PJ027469	VDEEMM 	C29H48N6O13S2	752.2721	NA	PeJP	NA	NA
+PJ027470	NNNNDY 	C29H40N10O14	752.2726	NA	PeJP	NA	NA
+MJ093088	Chelerythridimerine 	C45H40N2O9	752.27338	NA	MeJP	NA	NA
+PJ027471	ACCDRW 	C30H44N10O9S2	752.2734	NA	PeJP	NA	NA
+PJ027472	GCCERW 	C30H44N10O9S2	752.2735	NA	PeJP	NA	NA
+PJ027473	ASSCDDR 	C26H44N10O14S	752.2759	NA	PeJP	NA	NA
+PJ027474	GSSCDER 	C26H44N10O14S	752.276	NA	PeJP	NA	NA
+PJ027475	GNDDFW 	C34H40N8O12	752.2766	NA	PeJP	NA	NA
+PJ027476	GSPCCMR 	C27H48N10O9S3	752.2768	NA	PeJP	NA	NA
+PJ027477	CQMWW 	C35H44N8O7S2	752.2775	NA	PeJP	NA	NA
+PJ027478	SSNEMW 	C31H44N8O12S	752.28	NA	PeJP	NA	NA
+PJ027479	GMMMHF 	C32H48N8O7S3	752.2808	NA	PeJP	NA	NA
+PJ027480	GCNHHW 	C32H40N12O8S	752.2813	NA	PeJP	NA	NA
+PJ027481	SSSSQEE 	C27H44N8O17	752.2825	NA	PeJP	NA	NA
+PJ027482	SQQEMM 	C28H48N8O12S2	752.2833	NA	PeJP	NA	NA
+PJ027483	GGGATEMM 	C28H48N8O12S2	752.2834	NA	PeJP	NA	NA
+PJ027484	GSSNDHH 	C28H40N12O13	752.2838	NA	PeJP	NA	NA
+PJ027485	NMYYY 	C36H44N6O10S	752.284	NA	PeJP	NA	NA
+PJ027486	SPEEEY 	C32H44N6O15	752.2865	NA	PeJP	NA	NA
+PJ027487	PPDMMY 	C33H48N6O10S2	752.2874	NA	PeJP	NA	NA
+PJ027488	CCRWW 	C34H44N10O6S2	752.2887	NA	PeJP	NA	NA
+MJ093089	Azadirachtin; 22,23-Dihydro, 21?-methoxy 	C36H48O17	752.28915	NA	MeJP	NA	NA
+MJ093090	Azadirachtin; 22,23-Dihydro, 23?-methoxy 	C36H48O17	752.28915	NA	MeJP	NA	NA
+PJ027489	SSCDRW 	C30H44N10O11S	752.2912	NA	PeJP	NA	NA
+PJ027490	SSSSDDR 	C26H44N10O16	752.2937	NA	PeJP	NA	NA
+PJ027491	SNDMMR 	C27H48N10O11S2	752.2946	NA	PeJP	NA	NA
+PJ027492	GSSMWW 	C35H44N8O9S	752.2952	NA	PeJP	NA	NA
+MJ093091	Indocyanine green 	C43H48N2O6S2	752.295378	NA	MeJP	NA	NA
+PJ027493	GSSSTEW 	C31H44N8O14	752.2977	NA	PeJP	NA	NA
+PJ027494	GTQMMW 	C32H48N8O9S2	752.2986	NA	PeJP	NA	NA
+PJ027495	GSSDKEM 	C28H48N8O14S	752.3011	NA	PeJP	NA	NA
+PJ027496	GSTYYY 	C36H44N6O12	752.3017	NA	PeJP	NA	NA
+PJ027497	PPDDFY 	C36H44N6O12	752.3018	NA	PeJP	NA	NA
+PJ027498	VNQMMM 	C29H52N8O9S3	752.302	NA	PeJP	NA	NA
+PJ027499	SNQMHH 	C29H44N12O10S	752.3024	NA	PeJP	NA	NA
+PJ027500	GGGGTMHH 	C29H44N12O10S	752.3025	NA	PeJP	NA	NA
+MJ093092	Zaragozic acid C; 8',9'-Didehydro 	C40H48O14	752.304406	NA	MeJP	NA	NA
+PJ027501	PVDEMY 	C33H48N6O12S	752.3051	NA	PeJP	NA	NA
+PJ027502	SCCERR 	C26H48N12O10S2	752.3058	NA	PeJP	NA	NA
+PJ027503	PPMMMF 	C34H52N6O7S3	752.306	NA	PeJP	NA	NA
+PJ027504	PPCNHW 	C34H44N10O8S	752.3065	NA	PeJP	NA	NA
+PJ027505	TLEEMM 	C30H52N6O12S2	752.3085	NA	PeJP	NA	NA
+PJ027506	SNNQQY 	C30H44N10O13	752.3089	NA	PeJP	NA	NA
+PJ027507	GNDERY 	C30H44N10O13	752.309	NA	PeJP	NA	NA
+PJ027508	PLMMMM 	C31H56N6O7S4	752.3094	NA	PeJP	NA	NA
+PJ027509	GTCMRW 	C31H48N10O8S2	752.3098	NA	PeJP	NA	NA
+PJ027510	GEHHHH 	C31H40N14O9	752.3103	NA	PeJP	NA	NA
+PJ027511	GSSSEMR 	C27H48N10O13S	752.3123	NA	PeJP	NA	NA
+PJ027512	SSSTWW 	C35H44N8O11	752.313	NA	PeJP	NA	NA
+PJ027513	GQMMMR 	C28H52N10O8S3	752.3132	NA	PeJP	NA	NA
+PJ027514	SCNHHR 	C28H44N14O9S	752.3137	NA	PeJP	NA	NA
+PJ027515	CKMWW 	C36H48N8O6S2	752.3138	NA	PeJP	NA	NA
+PJ027516	SSDKMW 	C32H48N8O11S	752.3163	NA	PeJP	NA	NA
+PJ027517	GSVTTCW 	C32H48N8O11S	752.3164	NA	PeJP	NA	NA
+PJ027518	NFFYY 	C40H44N6O9	752.317	NA	PeJP	NA	NA
+PJ027519	SSSSKEE 	C28H48N8O16	752.3188	NA	PeJP	NA	NA
+PJ027520	GGSTTTTE 	C28H48N8O16	752.3189	NA	PeJP	NA	NA
+PJ027521	SQKEMM 	C29H52N8O11S2	752.3197	NA	PeJP	NA	NA
+PJ027522	PNDDHR 	C29H44N12O12	752.3202	NA	PeJP	NA	NA
+PJ027523	PPDMFF 	C37H48N6O9S	752.3204	NA	PeJP	NA	NA
+PJ027524	ALEEEY 	C33H48N6O14	752.3229	NA	PeJP	NA	NA
+PJ027525	PVEMMF 	C34H52N6O9S2	752.3238	NA	PeJP	NA	NA
+PJ027526	NDRYW 	C34H44N10O10	752.3242	NA	PeJP	NA	NA
+PJ027527	GCMMRR 	C27H52N12O7S3	752.3244	NA	PeJP	NA	NA
+PJ027528	HHHHW 	C35H40N14O6	752.3256	NA	PeJP	NA	NA
+PJ027529	VLEMMM 	C31H56N6O9S3	752.3271	NA	PeJP	NA	NA
+PJ027530	SSSMRW 	C31H48N10O10S	752.3276	NA	PeJP	NA	NA
+PJ027531	AQYWW 	C39H44N8O8	752.3282	NA	PeJP	NA	NA
+PJ027532	SSSSTER 	C27H48N10O15	752.3301	NA	PeJP	NA	NA
+MJ093093	Isopythaldine 	C43H48N2O10	752.330895	NA	MeJP	NA	NA
+PJ027533	STQMMR 	C28H52N10O10S2	752.3309	NA	PeJP	NA	NA
+PJ027534	TTNMMR 	C28H52N10O10S2	752.331	NA	PeJP	NA	NA
+PJ027535	GPCKYW 	C36H48N8O8S	752.3316	NA	PeJP	NA	NA
+PJ027536	SSSSSLW 	C32H48N8O13	752.3341	NA	PeJP	NA	NA
+PJ027537	GTKMMW 	C33H52N8O8S2	752.335	NA	PeJP	NA	NA
+PJ027538	GQQHHF 	C33H44N12O9	752.3355	NA	PeJP	NA	NA
+PJ027539	GSTTKEM 	C29H52N8O13S	752.3375	NA	PeJP	NA	NA
+PJ027540	PPVDYY 	C37H48N6O11	752.3381	NA	PeJP	NA	NA
+PJ027541	VNKMMM 	C30H56N8O8S3	752.3384	NA	PeJP	NA	NA
+PJ027542	GCDFRR 	C30H48N12O9S	752.3388	NA	PeJP	NA	NA
+PJ027543	PQHWW 	C38H44N10O7	752.3395	NA	PeJP	NA	NA
+PJ027544	PTLEMY 	C34H52N6O11S	752.3415	NA	PeJP	NA	NA
+PJ027545	STCMRR 	C27H52N12O9S2	752.3422	NA	PeJP	NA	NA
+PJ027546	NMFRW 	C35H48N10O7S	752.3428	NA	PeJP	NA	NA
+PJ027547	GGMFRW 	C35H48N10O7S	752.3429	NA	PeJP	NA	NA
+PJ027548	GTQERY 	C31H48N10O12	752.3453	NA	PeJP	NA	NA
+PJ027549	GDDKRY 	C31H48N10O12	752.3454	NA	PeJP	NA	NA
+PJ027550	PCCKFR 	C32H52N10O7S2	752.3462	NA	PeJP	NA	NA
+PJ027551	SVHHHH 	C32H44N14O8	752.3467	NA	PeJP	NA	NA
+PJ027552	GSTTTMR 	C28H52N10O12S	752.3487	NA	PeJP	NA	NA
+PJ027553	QKEYW 	C36H48N8O10	752.3494	NA	PeJP	NA	NA
+PJ027554	GKMMMR 	C29H56N10O7S3	752.3496	NA	PeJP	NA	NA
+PJ027555	STTKMW 	C33H52N8O10S	752.3527	NA	PeJP	NA	NA
+PJ027556	GGGGVLMY 	C33H52N8O10S	752.3528	NA	PeJP	NA	NA
+PJ027557	SSTTTKE 	C29H52N8O15	752.3552	NA	PeJP	NA	NA
+PJ027558	SKKEMM 	C30H56N8O10S2	752.3561	NA	PeJP	NA	NA
+PJ027559	GSDRRY 	C30H48N12O11	752.3566	NA	PeJP	NA	NA
+PJ027560	PPVMFY 	C38H52N6O8S	752.3568	NA	PeJP	NA	NA
+PJ027561	SLLEEY 	C34H52N6O13	752.3593	NA	PeJP	NA	NA
+PJ027562	PVLMMY 	C35H56N6O8S2	752.3601	NA	PeJP	NA	NA
+PJ027563	TQRYW 	C35H48N10O9	752.3606	NA	PeJP	NA	NA
+MJ093094	3,11,14-Trihydroxybufa-20,22-dienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 11-Ac 	C38H56O15	752.361921	NA	MeJP	NA	NA
+MJ093095	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Xylopyranosyl-(1?4)-2,3-di-O-acetyl-?-D-allopyranoside] 	C38H56O15	752.361921	NA	MeJP	NA	NA
+MJ093096	Tanghinigenin; 3-O-[?-D-Glucopyranosyl(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C38H56O15	752.361921	NA	MeJP	NA	NA
+PJ027564	GVQMRY 	C32H52N10O9S	752.364	NA	PeJP	NA	NA
+PJ027565	AKYWW 	C40H48N8O7	752.3646	NA	PeJP	NA	NA
+PJ027566	SSTTTTR 	C28H52N10O14	752.3665	NA	PeJP	NA	NA
+PJ027567	STKMMR 	C29H56N10O9S2	752.3673	NA	PeJP	NA	NA
+PJ027568	GSCCKKK 	C29H56N10O9S2	752.3674	NA	PeJP	NA	NA
+PJ027569	GQQQHR 	C29H48N14O10	752.3678	NA	PeJP	NA	NA
+PJ027570	AAKMFW 	C37H52N8O7S	752.368	NA	PeJP	NA	NA
+PJ027571	GKKEEY 	C33H52N8O12	752.3705	NA	PeJP	NA	NA
+PJ027572	PCKKMF 	C34H56N8O7S2	752.3714	NA	PeJP	NA	NA
+PJ027573	GPTHRW 	C34H48N12O8	752.3718	NA	PeJP	NA	NA
+PJ027574	GGAKHHF 	C34H48N12O8	752.3719	NA	PeJP	NA	NA
+PJ027575	SSSTLKM 	C30H56N8O12S	752.3739	NA	PeJP	NA	NA
+PJ027576	PPTLYY 	C38H52N6O10	752.3745	NA	PeJP	NA	NA
+PJ027577	CLKKMM 	C31H60N8O7S3	752.3747	NA	PeJP	NA	NA
+PJ027578	QMRRY 	C31H52N12O8S	752.3752	NA	PeJP	NA	NA
+PJ027579	PKHWW 	C39H48N10O6	752.3759	NA	PeJP	NA	NA
+PJ027580	VVLEMY 	C35H56N6O10S	752.3779	NA	PeJP	NA	NA
+MJ093097	Callophylline B 	C43H52N4O8	752.378514	NA	MeJP	NA	NA
+PJ027581	GNNHRR 	C28H48N16O9	752.3791	NA	PeJP	NA	NA
+PJ027582	GTKERY 	C32H52N10O11	752.3817	NA	PeJP	NA	NA
+PJ027583	GGGALLEH 	C32H52N10O11	752.3818	NA	PeJP	NA	NA
+PJ027584	KKEYW 	C37H52N8O9	752.3857	NA	PeJP	NA	NA
+PJ027585	GSLKYW 	C37H52N8O9	752.3858	NA	PeJP	NA	NA
+PJ027586	CRRRY 	C30H52N14O7S	752.3864	NA	PeJP	NA	NA
+PJ027587	GPMHRR 	C30H52N14O7S	752.3865	NA	PeJP	NA	NA
+MJ093098	Antibiotic SB 22484; Antibiotic SB 22484-1 	C41H56N2O11	752.38841	NA	MeJP	NA	NA
+MJ093099	Nudicauline; O14-De-Ac, O14-(2R-methylbutanoyl) 	C41H56N2O11	752.38841	NA	MeJP	NA	NA
+PJ027588	SPKKMY 	C34H56N8O9S	752.3891	NA	PeJP	NA	NA
+PJ027589	PPVFFF 	C42H52N6O7	752.3898	NA	PeJP	NA	NA
+PJ027590	TTTTTTK 	C30H56N8O14	752.3916	NA	PeJP	NA	NA
+PJ027591	GTTRRY 	C31H52N12O10	752.393	NA	PeJP	NA	NA
+PJ027592	PVLMFF 	C39H56N6O7S	752.3932	NA	PeJP	NA	NA
+3304	NA	LLPHHH	752.394	celiac toxic	Inhouse_peptide	NA	peptide
+PJ027593	VLLMMF 	C36H60N6O7S2	752.3965	NA	PeJP	NA	NA
+PJ027594	TKRYW 	C36H52N10O8	752.397	NA	PeJP	NA	NA
+MJ093100	3,14,15-Trihydroxypregn-5-ene-12,20-dione, Glycoside 	C39H60O14	752.398306	NA	MeJP	NA	NA
+MJ093101	Spirosta-5,25(27)-diene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H60O14	752.398306	NA	MeJP	NA	NA
+PJ027595	GVKMRY 	C33H56N10O8S	752.4004	NA	PeJP	NA	NA
+MJ093102	Stigmastane-3,6,8,15,16,29-hexol, 29-[5-O-Methyl-?-D-galactofuranoside], 6-sulfate 	C36H64O14S	752.401677	NA	MeJP	NA	NA
+PJ027596	GVEHRR 	C30H52N14O9	752.4042	NA	PeJP	NA	NA
+PJ027597	SVKKEY 	C34H56N8O11	752.4069	NA	PeJP	NA	NA
+PJ027598	AALHRW 	C35H52N12O7	752.4082	NA	PeJP	NA	NA
+PJ027599	PVVLYY 	C39H56N6O9	752.4109	NA	PeJP	NA	NA
+PJ027600	KMRRY 	C32H56N12O7S	752.4116	NA	PeJP	NA	NA
+PJ027601	TLLLMY 	C36H60N6O9S	752.4143	NA	PeJP	NA	NA
+MJ093103	Vinblastine; Deacetoxy 	C44H56N4O7	752.4149	NA	MeJP	NA	NA
+PJ027602	EHRRR 	C29H52N16O8	752.4154	NA	PeJP	NA	NA
+PJ027603	SSLKRY 	C33H56N10O10	752.4181	NA	PeJP	NA	NA
+PJ027604	VHRRW 	C34H52N14O6	752.4195	NA	PeJP	NA	NA
+PJ027605	PPLLQW 	C38H56N8O8	752.4221	NA	PeJP	NA	NA
+MJ093104	Axinastatin 1 	C38H56N8O8	752.42211	NA	MeJP	NA	NA
+PJ027606	GPPVVVW 	C38H56N8O8	752.4222	NA	PeJP	NA	NA
+PJ027607	ALKKMY 	C35H60N8O8S	752.4255	NA	PeJP	NA	NA
+PJ027608	VNQKKH 	C32H56N12O9	752.4293	NA	PeJP	NA	NA
+PJ027609	PPVERR 	C32H56N12O9	752.4294	NA	PeJP	NA	NA
+PJ027610	PPVVRW 	C37H56N10O7	752.4334	NA	PeJP	NA	NA
+MJ093105	Cimigenol; 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside] 	C40H64O13	752.434692	NA	MeJP	NA	NA
+MJ093106	Dimorphoside A; 7-Deoxy, 2''Ac 	C40H64O13	752.434692	NA	MeJP	NA	NA
+MJ093107	Lustericin 	C40H64O13	752.434692	NA	MeJP	NA	NA
+MJ093108	Polypodogenin; 3-O-?-D-Glucopyranoside, 26-O-(3-O-methyl-?-L-rhamnopyranoside) 	C40H64O13	752.434692	NA	MeJP	NA	NA
+MJ093109	Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?3)-4-acetyl-?-L-arabinopyranoside] 	C40H64O13	752.434692	NA	MeJP	NA	NA
+PJ027611	PLKKMH 	C34H60N10O7S	752.4368	NA	PeJP	NA	NA
+PJ027612	ATLHRR 	C31H56N14O8	752.4406	NA	PeJP	NA	NA
+PJ027613	TTLKKY 	C35H60N8O10	752.4433	NA	PeJP	NA	NA
+MJ093110	Arginyltyrosylisoleucylarginylphenylalaninamide 	C36H56N12O6	752.444577	NA	MeJP	NA	NA
+PJ027614	KFFRR 	C36H56N12O6	752.4446	NA	PeJP	NA	NA
+PJ027615	VVLLFY 	C40H60N6O8	752.4473	NA	PeJP	NA	NA
+MJ093111	Dihypoestoxide 	C44H64O10	752.449948	NA	MeJP	NA	NA
+MJ093112	Isodopharicin E 	C44H64O10	752.449948	NA	MeJP	NA	NA
+PJ027616	GPPTLLR 	C34H60N10O9	752.4545	NA	PeJP	NA	NA
+PJ027617	PPLLKW 	C39H60N8O7	752.4585	NA	PeJP	NA	NA
+PJ027618	SLLKHR 	C33H60N12O8	752.4657	NA	PeJP	NA	NA
+PJ027619	GGVKKKH 	C33H60N12O8	752.4658	NA	PeJP	NA	NA
+MJ093113	12-Oleanene-3,16,28-triol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H68O12	752.471077	NA	MeJP	NA	NA
+MJ093114	12-Oleanene-3,22,24-triol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H68O12	752.471077	NA	MeJP	NA	NA
+MJ093115	14-Apotirucallene-3,7,23,24,25-pentol, 7-O-(6-O-?-D-Acetylglucopyranoside), 3-Ac, 25-Me ether 	C41H68O12	752.471077	NA	MeJP	NA	NA
+MJ093116	3,22-Dihydroxy-6-hopanone; ,21àH-form, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H68O12	752.471077	NA	MeJP	NA	NA
+MJ093117	Cucurbita-5,24-diene-3,7,16-triol, 16-O-?-D-Glucopyranoside, 3-O-?-D-xylopyranoside 	C41H68O12	752.471077	NA	MeJP	NA	NA
+MJ093118	Cumingianoside G; 25-Me ether, 3,6'-di-Ac 	C41H68O12	752.471077	NA	MeJP	NA	NA
+PJ027620	GKKKHR 	C32H60N14O7	752.477	NA	PeJP	NA	NA
+PJ027621	SPPVLLK 	C36H64N8O9	752.4797	NA	PeJP	NA	NA
+PJ027622	AAPLLLR 	C35H64N10O8	752.4909	NA	PeJP	NA	NA
+PJ027623	PVLLRR 	C34H64N12O7	752.5021	NA	PeJP	NA	NA
+MJ093119	Dunaimycin D2S; 4-Deoxy, 8-deglycosyloxy 	C42H72O11	752.507463	NA	MeJP	NA	NA
+MJ093120	Salinomycin; 18,19-Dihydro 	C42H72O11	752.507463	NA	MeJP	NA	NA
+PJ027624	GPLLLLK 	C37H68N8O8	752.516	NA	PeJP	NA	NA
+PJ027625	PVVVVLK 	C37H68N8O8	752.5161	NA	PeJP	NA	NA
+MJ093121	Siphonaxanthin; 19-O-(2E-Decenoyl) 	C50H72O5	752.537975	NA	MeJP	NA	NA
+MJ093122	1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z,15Z-octadecatrienoate) 2-hexadecanoate, 3-O-?-D-Galactopyranoside (2S-) 	C43H76O10	752.543848	NA	MeJP	NA	NA
+MJ093123	6-Methoxy-2-nonaprenyl(X-H2)-1,4-benzoquinone 	C52H80O3	752.610746	NA	MeJP	NA	NA
+MJ093124	Glisoprenin D; 6,7-Epoxide 	C45H84O8	752.616619	NA	MeJP	NA	NA
+HMDB07732	DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)	C49H84O5	752.631897	NA	HMDB2010	NA	NA
+HMDB07761	DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)	C49H84O5	752.631897	NA	HMDB2010	NA	NA
+HMDB07789	DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0)	C49H84O5	752.631897	NA	HMDB2010	NA	NA
+HMDB07817	DG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	C49H84O5	752.631897	NA	HMDB2010	NA	NA
+HMDB07844	DG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C49H84O5	752.631897	NA	HMDB2010	NA	NA
+HMDB07845	DG(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C49H84O5	752.631897	NA	HMDB2010	NA	NA
+MetaCyc04100	plastoquinone-9 []	C53H84O2	752.647132	NA	metacyc	NA	NA
+MetaCyc04101	plastoquinol-1 []	C53H84O2	752.647132	NA	metacyc	NA	NA
+MJ093125	20(29)-Lupen-3-ol, 3,5-Dihydroxyeicosanoyl 	C50H88O4	752.668261	NA	MeJP	NA	NA
+MJ093126	20(29)-Lupene-3,7,15-triol, 3-Eicosanoyl 	C50H88O4	752.668261	NA	MeJP	NA	NA
+FL7AACGL0105	Cyanidin 3-(2,3-di-galloylglucoside)	C35H29O19	753.1303	259254-15-4	knapsack	NA	NA
+PJ027626	GCCCCCY 	C26H39N7O9S5	753.1413	NA	PeJP	NA	NA
+PJ027627	GCCCCEH 	C25H39N9O10S4	753.1703	NA	PeJP	NA	NA
+PJ027628	GCDDDDD 	C25H35N7O18S	753.176	NA	PeJP	NA	NA
+PJ027629	CCCCHW 	C29H39N9O7S4	753.1856	NA	PeJP	NA	NA
+PJ027630	SSCCCDH 	C25H39N9O12S3	753.1881	NA	PeJP	NA	NA
+PJ027631	SPCCDDD 	C26H39N7O15S2	753.1946	NA	PeJP	NA	NA
+PJ027632	PPCCCCE 	C27H43N7O10S4	753.1955	NA	PeJP	NA	NA
+PJ027633	GCCNNDE 	C25H39N9O14S2	753.2058	NA	PeJP	NA	NA
+PJ027634	GTCCCMH 	C26H43N9O9S4	753.2067	NA	PeJP	NA	NA
+PJ027635	ASCDDDE 	C26H39N7O17S	753.2123	NA	PeJP	NA	NA
+MJ093127	Ezomycin D1 	C26H39N7O17S	753.212313	NA	MeJP	NA	NA
+PJ027636	GSDDDDM 	C26H39N7O17S	753.2124	NA	PeJP	NA	NA
+PJ027637	GPCCDEM 	C27H43N7O12S3	753.2132	NA	PeJP	NA	NA
+PJ027638	CCNNDW 	C29H39N9O11S2	753.2211	NA	PeJP	NA	NA
+PJ027639	SSCNNDD 	C25H39N9O16S	753.2236	NA	PeJP	NA	NA
+PJ027640	SSSCCMH 	C26H43N9O11S3	753.2244	NA	PeJP	NA	NA
+PJ027641	GGSPCCCQ 	C26H43N9O11S3	753.2245	NA	PeJP	NA	NA
+PJ027642	SCDDEW 	C30H39N7O14S	753.2276	NA	PeJP	NA	NA
+PJ027643	PCCDMW 	C31H43N7O9S3	753.2285	NA	PeJP	NA	NA
+PJ027644	SSSDDDE 	C26H39N7O19	753.2301	NA	PeJP	NA	NA
+PJ027645	NDDEMM 	C27H43N7O14S2	753.231	NA	PeJP	NA	NA
+PJ027646	PPTCCCM 	C28H47N7O9S4	753.2318	NA	PeJP	NA	NA
+PJ027647	CCNMHF 	C30H43N9O8S3	753.2397	NA	PeJP	NA	NA
+PJ027648	CDDDMR 	C26H43N9O13S2	753.2422	NA	PeJP	NA	NA
+PJ027649	NDDDEF 	C30H39N7O16	753.2454	NA	PeJP	NA	NA
+PJ027650	GDDMMW 	C31H43N7O11S2	753.2462	NA	PeJP	NA	NA
+PJ027651	GSSDEEM 	C27H43N7O16S	753.2487	NA	PeJP	NA	NA
+PJ027652	GSPCEMM 	C28H47N7O11S3	753.2496	NA	PeJP	NA	NA
+PJ027653	CNDEHH 	C28H39N11O12S	753.2501	NA	PeJP	NA	NA
+PJ027654	GSCCNDR 	C25H43N11O12S2	753.2534	NA	PeJP	NA	NA
+PJ027655	GGGSCCDR 	C25H43N11O12S2	753.2535	NA	PeJP	NA	NA
+PJ027656	NNNDDY 	C29H39N9O15	753.2566	NA	PeJP	NA	NA
+PJ027657	SCNNMW 	C30H43N9O10S2	753.2574	NA	PeJP	NA	NA
+PJ027658	GGSCNMW 	C30H43N9O10S2	753.2575	NA	PeJP	NA	NA
+PJ027659	SSSCNQE 	C26H43N9O15S	753.2599	NA	PeJP	NA	NA
+PJ027660	SSSNNDM 	C26H43N9O15S	753.26	NA	PeJP	NA	NA
+PJ027661	GDDDFW 	C34H39N7O13	753.2606	NA	PeJP	NA	NA
+PJ027662	NNNMMM 	C27H47N9O10S3	753.2608	NA	PeJP	NA	NA
+PJ027663	GGGGGGMMM 	C27H47N9O10S3	753.2609	NA	PeJP	NA	NA
+PJ027664	CEMWW 	C35H43N7O8S2	753.2615	NA	PeJP	NA	NA
+PJ027665	SSDEMW 	C31H43N7O13S	753.264	NA	PeJP	NA	NA
+PJ027666	SPCMMW 	C32H47N7O8S3	753.2648	NA	PeJP	NA	NA
+PJ027667	GPPCCMF 	C32H47N7O8S3	753.2649	NA	PeJP	NA	NA
+PJ027668	GCDHHW 	C32H39N11O9S	753.2653	NA	PeJP	NA	NA
+PJ027669	SSSSEEE 	C27H43N7O18	753.2665	NA	PeJP	NA	NA
+PJ027670	SSSPDMM 	C28H47N7O13S2	753.2673	NA	PeJP	NA	NA
+PJ027671	SQEEMM 	C28H47N7O13S2	753.2674	NA	PeJP	NA	NA
+PJ027672	GSSDDHH 	C28H39N11O14	753.2678	NA	PeJP	NA	NA
+PJ027673	DMYYY 	C36H43N5O11S	753.268	NA	PeJP	NA	NA
+PJ027674	PNMMMM 	C29H51N7O8S4	753.2682	NA	PeJP	NA	NA
+PJ027675	GPTCCHH 	C29H43N11O9S2	753.2687	NA	PeJP	NA	NA
+PJ027676	CCNQMR 	C26H47N11O9S3	753.2721	NA	PeJP	NA	NA
+PJ027677	GSSSCQW 	C30H43N9O12S	753.2752	NA	PeJP	NA	NA
+PJ027678	GSSSSSNE 	C26H43N9O17	753.2777	NA	PeJP	NA	NA
+PJ027679	SDDMMR 	C27H47N9O12S2	753.2786	NA	PeJP	NA	NA
+PJ027680	GPCEYW 	C35H43N7O10S	753.2792	NA	PeJP	NA	NA
+PJ027681	GQEEEY 	C31H43N7O15	753.2817	NA	PeJP	NA	NA
+PJ027682	GGAEEEY 	C31H43N7O15	753.2818	NA	PeJP	NA	NA
+PJ027683	GTEMMW 	C32H47N7O10S2	753.2826	NA	PeJP	NA	NA
+PJ027684	CCCNRR 	C25H47N13O8S3	753.2833	NA	PeJP	NA	NA
+PJ027685	GSTTEEM 	C28H47N7O15S	753.2851	NA	PeJP	NA	NA
+PJ027686	VNEMMM 	C29H51N7O10S3	753.286	NA	PeJP	NA	NA
+PJ027687	SNEMHH 	C29H43N11O11S	753.2864	NA	PeJP	NA	NA
+PJ027688	GGSEMHH 	C29H43N11O11S	753.2865	NA	PeJP	NA	NA
+PJ027689	MMFYY 	C37H47N5O8S2	753.2866	NA	PeJP	NA	NA
+MJ093128	(2-Benzoylphenyl)methyl 4-ethyl-1-[[3-fluoro-2'-[[[(3-methylbutoxy)carbonyl]amino]sulfonyl][1,1'-biphenyl]-4-yl]methyl]-2-propyl-1H-imidazole-5-carboxylate 	C42H44FN3O7S	753.288399	NA	MeJP	NA	NA
+PJ027690	GSSCNMR 	C26H47N11O11S2	753.2898	NA	PeJP	NA	NA
+PJ027691	GCNQFW 	C34H43N9O9S	753.2905	NA	PeJP	NA	NA
+PJ027692	SSSSSNW 	C30H43N9O14	753.293	NA	PeJP	NA	NA
+PJ027693	SCCQKW 	C31H47N9O9S2	753.2938	NA	PeJP	NA	NA
+PJ027694	GGTCCKW 	C31H47N9O9S2	753.2939	NA	PeJP	NA	NA
+PJ027695	PCYWW 	C39H43N7O7S	753.2945	NA	PeJP	NA	NA
+PJ027696	SSSSQQM 	C27H47N9O14S	753.2963	NA	PeJP	NA	NA
+PJ027697	GGGGSSTTM 	C27H47N9O14S	753.2964	NA	PeJP	NA	NA
+PJ027698	QEEYW 	C35H43N7O12	753.297	NA	PeJP	NA	NA
+PJ027699	GEMMMR 	C28H51N9O9S3	753.2972	NA	PeJP	NA	NA
+PJ027700	SCDHHR 	C28H43N13O10S	753.2977	NA	PeJP	NA	NA
+PJ027701	TMMWW 	C36H47N7O7S2	753.2979	NA	PeJP	NA	NA
+MJ093129	Rifamycin O 	C39H47NO14	753.299655	NA	MeJP	NA	NA
+MJ093130	Streptovaricin F 	C39H47NO14	753.299655	NA	MeJP	NA	NA
+MetaCyc04102	rifamycin-O []	C39H47N1O14	753.299655	14487-05-9	metacyc	NA	NA
+C01849	Rifamycin O	C39H47NO14	753.2997	NA	KEGG	NA	NA
+PJ027702	STTEMW 	C32H47N7O12S	753.3004	NA	PeJP	NA	NA
+PJ027703	DFFYY 	C40H43N5O10	753.301	NA	PeJP	NA	NA
+PJ027704	GVMMMW 	C33H51N7O7S3	753.3012	NA	PeJP	NA	NA
+PJ027705	GSMHHW 	C33H43N11O8S	753.3017	NA	PeJP	NA	NA
+PJ027706	SSTTTEE 	C28H47N7O17	753.3029	NA	PeJP	NA	NA
+PJ027707	SKEEMM 	C29H51N7O12S2	753.3037	NA	PeJP	NA	NA
+PJ027708	PDDDHR 	C29H43N11O13	753.3042	NA	PeJP	NA	NA
+PJ027709	AQMMHH 	C30H47N11O8S2	753.3051	NA	PeJP	NA	NA
+PJ027710	SSSSCQR 	C26H47N11O13S	753.3076	NA	PeJP	NA	NA
+PJ027711	DDRYW 	C34H43N9O11	753.3082	NA	PeJP	NA	NA
+PJ027712	CCNKMR 	C27H51N11O8S3	753.3085	NA	PeJP	NA	NA
+PJ027713	GSSSCKW 	C31H47N9O11S	753.3116	NA	PeJP	NA	NA
+PJ027714	AEYWW 	C39H43N7O9	753.3122	NA	PeJP	NA	NA
+PJ027715	MMMRW 	C32H51N9O6S3	753.3125	NA	PeJP	NA	NA
+PJ027716	GSSSSSDK 	C27H47N9O16	753.3141	NA	PeJP	NA	NA
+PJ027717	STEMMR 	C28H51N9O11S2	753.315	NA	PeJP	NA	NA
+PJ027718	NNNQQH 	C28H43N13O12	753.3154	NA	PeJP	NA	NA
+PJ027719	GGGGNQQH 	C28H43N13O12	753.3155	NA	PeJP	NA	NA
+PJ027720	GPTMYW 	C36H47N7O9S	753.3156	NA	PeJP	NA	NA
+PJ027721	ACMHHR 	C29H47N13O7S2	753.3163	NA	PeJP	NA	NA
+PJ027722	GKEEEY 	C32H47N7O14	753.3181	NA	PeJP	NA	NA
+PJ027723	SSLMMW 	C33H51N7O9S2	753.319	NA	PeJP	NA	NA
+PJ027724	SSTHHW 	C33H43N11O10	753.3195	NA	PeJP	NA	NA
+PJ027725	MFFFY 	C41H47N5O7S	753.3196	NA	PeJP	NA	NA
+PJ027726	SSSTLEM 	C29H51N7O14S	753.3215	NA	PeJP	NA	NA
+PJ027727	VDKMMM 	C30H55N7O9S3	753.3224	NA	PeJP	NA	NA
+PJ027728	GNNMRY 	C30H47N11O10S	753.3228	NA	PeJP	NA	NA
+PJ027729	GGGGGMRY 	C30H47N11O10S	753.3229	NA	PeJP	NA	NA
+PJ027730	PEHWW 	C38H43N9O8	753.3235	NA	PeJP	NA	NA
+PJ027731	GSSSSSSR 	C26H47N11O15	753.3253	NA	PeJP	NA	NA
+PJ027732	GSTCCKR 	C27H51N11O10S2	753.3262	NA	PeJP	NA	NA
+PJ027733	DMFRW 	C35H47N9O8S	753.3269	NA	PeJP	NA	NA
+PJ027734	STQQQY 	C31H47N9O13	753.3293	NA	PeJP	NA	NA
+PJ027735	GTEERY 	C31H47N9O13	753.3294	NA	PeJP	NA	NA
+PJ027736	SCCKKW 	C32H51N9O8S2	753.3302	NA	PeJP	NA	NA
+PJ027737	CLFWW 	C40H47N7O6S	753.3309	NA	PeJP	NA	NA
+PJ027738	SSSSQKM 	C28H51N9O13S	753.3327	NA	PeJP	NA	NA
+PJ027739	KEEYW 	C36H47N7O11	753.3334	NA	PeJP	NA	NA
+PJ027740	SVMMMR 	C29H55N9O8S3	753.3336	NA	PeJP	NA	NA
+PJ027741	SSMHHR 	C29H47N13O9S	753.3341	NA	PeJP	NA	NA
+PJ027742	QHHFW 	C37H43N11O7	753.3347	NA	PeJP	NA	NA
+MJ093131	Cosmomycin B; 3''-Deoxy, 4'''-ketone 	C40H51NO13	753.33604	NA	MeJP	NA	NA
+MJ093132	Streptovaricin; Streptovaricin C, 24-Deoxy 	C40H51NO13	753.33604	NA	MeJP	NA	NA
+PJ027743	SPKEMY 	C33H51N7O11S	753.3367	NA	PeJP	NA	NA
+PJ027744	GAALEMY 	C33H51N7O11S	753.3368	NA	PeJP	NA	NA
+PJ027745	VFYYY 	C41H47N5O9	753.3374	NA	PeJP	NA	NA
+PJ027746	TTTTTTE 	C29H51N7O16	753.3392	NA	PeJP	NA	NA
+PJ027747	GTTTLMM 	C30H55N7O11S2	753.3401	NA	PeJP	NA	NA
+PJ027748	SSNQRY 	C30H47N11O12	753.3406	NA	PeJP	NA	NA
+PJ027749	AKMMHH 	C31H51N11O7S2	753.3415	NA	PeJP	NA	NA
+PJ027750	SSSSCKR 	C27H51N11O12S	753.344	NA	PeJP	NA	NA
+PJ027751	TERYW 	C35H47N9O10	753.3446	NA	PeJP	NA	NA
+PJ027752	GVEMRY 	C32H51N9O10S	753.348	NA	PeJP	NA	NA
+PJ027753	SLYWW 	C40H47N7O8	753.3486	NA	PeJP	NA	NA
+PJ027754	GSSSSTTK 	C28H51N9O15	753.3505	NA	PeJP	NA	NA
+PJ027755	GSTCKKM 	C29H55N9O10S2	753.3514	NA	PeJP	NA	NA
+PJ027756	GQQEHR 	C29H47N13O11	753.3518	NA	PeJP	NA	NA
+PJ027757	GGGAAEHR 	C29H47N13O11	753.3519	NA	PeJP	NA	NA
+PJ027758	AALMYW 	C37H51N7O8S	753.352	NA	PeJP	NA	NA
+PJ027759	FFFFF 	C45H47N5O6	753.3527	NA	PeJP	NA	NA
+PJ027760	SVKEEY 	C33H51N7O13	753.3545	NA	PeJP	NA	NA
+PJ027761	PCLKMY 	C34H55N7O8S2	753.3554	NA	PeJP	NA	NA
+PJ027762	AVNQHW 	C34H47N11O9	753.3558	NA	PeJP	NA	NA
+PJ027763	GVQQHW 	C34H47N11O9	753.3559	NA	PeJP	NA	NA
+PJ027764	STTTTLM 	C30H55N7O13S	753.3579	NA	PeJP	NA	NA
+PJ027765	TLKMMM 	C31H59N7O8S3	753.3588	NA	PeJP	NA	NA
+PJ027766	EMRRY 	C31H51N11O9S	753.3592	NA	PeJP	NA	NA
+PJ027767	APPHFW 	C39H47N9O7	753.3599	NA	PeJP	NA	NA
+PJ027768	GNDHRR 	C28H47N15O10	753.3631	NA	PeJP	NA	NA
+PJ027769	VMRYW 	C36H51N9O7S	753.3632	NA	PeJP	NA	NA
+PJ027770	APLMHW 	C36H51N9O7S	753.3633	NA	PeJP	NA	NA
+PJ027771	SSLERY 	C32H51N9O12	753.3657	NA	PeJP	NA	NA
+PJ027772	GGGATTKY 	C32H51N9O12	753.3658	NA	PeJP	NA	NA
+PJ027773	GLMMFR 	C33H55N9O7S2	753.3666	NA	PeJP	NA	NA
+2646	synthetic fr, of human beta-CN (192-197) ACE inhibitor	PHQIYP	753.367	NA	Inhouse_peptide	NA	peptide
+PJ027774	QQHRW 	C33H47N13O8	753.3671	NA	PeJP	NA	NA
+PJ027775	SSSSKKM 	C29H55N9O12S	753.3691	NA	PeJP	NA	NA
+PJ027776	ATTLYW 	C37H51N7O10	753.3698	NA	PeJP	NA	NA
+PJ027777	PCNKHR 	C30H51N13O8S	753.3705	NA	PeJP	NA	NA
+PJ027778	KHHFW 	C38H47N11O6	753.3711	NA	PeJP	NA	NA
+MJ093133	4(20),11-Taxadiene-5,7,9,10,13-pentol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropenoyl), 7,9,10,13-tetra-Ac 	C41H55NO12	753.372426	NA	MeJP	NA	NA
+PJ027779	ALKEMY 	C34H55N7O10S	753.3731	NA	PeJP	NA	NA
+PJ027780	PPPVVDM 	C34H55N7O10S	753.3732	NA	PeJP	NA	NA
+PJ027781	SSNKRY 	C31H51N11O11	753.377	NA	PeJP	NA	NA
+PJ027782	APHHHR 	C32H47N15O7	753.3783	NA	PeJP	NA	NA
+PJ027783	GLLEHW 	C36H51N9O9	753.381	NA	PeJP	NA	NA
+PJ027784	ATLMRY 	C33H55N9O9S	753.3844	NA	PeJP	NA	NA
+PJ027785	AALFFW 	C41H51N7O7	753.385	NA	PeJP	NA	NA
+PJ027786	PPNDRR 	C30H51N13O10	753.3882	NA	PeJP	NA	NA
+PJ027787	PCLKFF 	C38H55N7O7S	753.3884	NA	PeJP	NA	NA
+PJ027788	TTLKEY 	C34H55N7O12	753.3909	NA	PeJP	NA	NA
+PJ027789	VVKMMF 	C35H59N7O7S2	753.3918	NA	PeJP	NA	NA
+PJ027790	APPQRW 	C35H51N11O8	753.3922	NA	PeJP	NA	NA
+PJ027791	GAAPPRW 	C35H51N11O8	753.3923	NA	PeJP	NA	NA
+PJ027792	GCKKRY 	C32H55N11O8S	753.3956	NA	PeJP	NA	NA
+PJ027793	LLHWW 	C40H51N9O6	753.3963	NA	PeJP	NA	NA
+PJ027794	GTQHRR 	C29H51N15O9	753.3995	NA	PeJP	NA	NA
+PJ027795	TTTLRY 	C33H55N9O11	753.4021	NA	PeJP	NA	NA
+PJ027796	GGGGSPPLL 	C33H55N9O11	753.4022	NA	PeJP	NA	NA
+PJ027797	QKHRW 	C34H51N13O7	753.4035	NA	PeJP	NA	NA
+PJ027798	ALLQFY 	C38H55N7O9	753.4061	NA	PeJP	NA	NA
+PJ027799	PPLLEW 	C38H55N7O9	753.4062	NA	PeJP	NA	NA
+PJ027800	SLLKMY 	C35H59N7O9S	753.4095	NA	PeJP	NA	NA
+MJ093134	Vinblastine; 16-De(methoxycarbonyl), 16-carbamoyl, O-de-Ac 	C43H55N5O7	753.410149	NA	MeJP	NA	NA
+PJ027801	SLLEHR 	C32H55N11O10	753.4134	NA	PeJP	NA	NA
+PJ027802	SVLLHW 	C37H55N9O8	753.4174	NA	PeJP	NA	NA
+PJ027803	GKKKMY 	C34H59N9O8S	753.4208	NA	PeJP	NA	NA
+PJ027804	PPTQRR 	C31H55N13O9	753.4246	NA	PeJP	NA	NA
+PJ027805	SPPVLLE 	C35H59N7O11	753.4273	NA	PeJP	NA	NA
+PJ027806	APPKRW 	C36H55N11O7	753.4286	NA	PeJP	NA	NA
+MJ093135	Ahpatinin G 	C40H59N5O9	753.431278	NA	MeJP	NA	NA
+MJ093136	Antibiotic L 174580 	C40H59N5O9	753.431278	NA	MeJP	NA	NA
+PJ027807	VVLMHR 	C33H59N11O7S	753.432	NA	PeJP	NA	NA
+PJ027808	GTKHRR 	C30H55N15O8	753.4358	NA	PeJP	NA	NA
+PJ027809	STKKKY 	C34H59N9O10	753.4385	NA	PeJP	NA	NA
+PJ027810	KKHRW 	C35H55N13O6	753.4399	NA	PeJP	NA	NA
+PJ027811	ALLKFY 	C39H59N7O8	753.4425	NA	PeJP	NA	NA
+PJ027812	PPPVVVF 	C39H59N7O8	753.4426	NA	PeJP	NA	NA
+PJ027813	APPLLLM 	C36H63N7O8S	753.4459	NA	PeJP	NA	NA
+PJ027814	PPKKER 	C33H59N11O9	753.4498	NA	PeJP	NA	NA
+PJ027815	PPVKKW 	C38H59N9O7	753.4538	NA	PeJP	NA	NA
+PJ027816	LLLKMH 	C35H63N9O7S	753.4572	NA	PeJP	NA	NA
+HMDB12350	PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C40H68NO10P	753.458069	NA	HMDB2010	NA	NA
+HMDB12430	PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))	C40H68NO10P	753.458069	NA	HMDB2010	NA	NA
+PJ027817	PPTKRR 	C32H59N13O8	753.461	NA	PeJP	NA	NA
+PJ027818	GPLLLLE 	C36H63N7O10	753.4637	NA	PeJP	NA	NA
+MJ093137	16,28-Secosolanid-5-ene-3,16-diol, N-Me, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C40H67NO12	753.466326	NA	MeJP	NA	NA
+MJ093138	Rhinolidine; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C40H67NO12	753.466326	NA	MeJP	NA	NA
+PJ027819	GPLRRR 	C31H59N15O7	753.4722	NA	PeJP	NA	NA
+PJ027820	APPTLKK 	C35H63N9O9	753.4749	NA	PeJP	NA	NA
+PJ027821	PLLLLW 	C40H63N7O7	753.4789	NA	PeJP	NA	NA
+PJ027822	PLLQKR 	C34H63N11O8	753.4861	NA	PeJP	NA	NA
+PJ027823	PVVKRR 	C33H63N13O7	753.4974	NA	PeJP	NA	NA
+PJ027824	SPVLLLL 	C37H67N7O9	753.5001	NA	PeJP	NA	NA
+PJ027825	GPVLLKK 	C36H67N9O8	753.5113	NA	PeJP	NA	NA
+PJ027826	PLLKKR 	C35H67N11O7	753.5225	NA	PeJP	NA	NA
+EUR930	PC 32:1 [M+Na]+	C40H78NO8P	753.528453	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR930	PC 32:1 [M+Na]+	C40H78NO8P	753.528453	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR930	PC 32:1 [M+Na]+	C40H78NO8P	753.528453	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR930	PC 32:1 [M+Na]+	C40H78NO8P	753.528453	masses lipides attendues	Inhousejuil11	NA	NA
+EUR954	PC 34:4 monoisotopic mass 	C42H76NO8P	753.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR954	PC 34:4 monoisotopic mass 	C42H76NO8P	753.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR954	PC 34:4 monoisotopic mass 	C42H76NO8P	753.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR954	PC 34:4 monoisotopic mass 	C42H76NO8P	753.530857	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07883	PC(14:0/20:4(5Z,8Z,11Z,14Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB07884	PC(14:0/20:4(8Z,11Z,14Z,17Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB07914	PC(14:1(9Z)/20:3(5Z,8Z,11Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB07915	PC(14:1(9Z)/20:3(8Z,11Z,14Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB07976	PC(16:0/18:4(6Z,9Z,12Z,15Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08007	PC(16:1(9Z)/18:3(6Z,9Z,12Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08008	PC(16:1(9Z)/18:3(9Z,12Z,15Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08167	PC(18:3(6Z,9Z,12Z)/16:1(9Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08200	PC(18:3(9Z,12Z,15Z)/16:1(9Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08232	PC(18:4(6Z,9Z,12Z,15Z)/16:0)	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08362	PC(20:3(5Z,8Z,11Z)/14:1(9Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08395	PC(20:3(8Z,11Z,14Z)/14:1(9Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08426	PC(20:4(5Z,8Z,11Z,14Z)/14:0)	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08459	PC(20:4(8Z,11Z,14Z,17Z)/14:0)	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB08910	PE(15:0/22:4(7Z,10Z,13Z,16Z))	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+HMDB09582	PE(22:4(7Z,10Z,13Z,16Z)/15:0)	C42H76NO8P	753.530884	NA	HMDB2010	NA	NA
+PJ027827	GLLLLLL 	C38H71N7O8	753.5364	NA	PeJP	NA	NA
+PJ027828	GILLLLL 	C38H71N7O8	753.5365	NA	PeJP	NA	NA
+HMDB09314	PE(20:2(11Z,14Z)/P-18:1(11Z))	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB09315	PE(20:2(11Z,14Z)/P-18:1(9Z))	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB09346	PE(20:3(5Z,8Z,11Z)/P-18:0)	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB09379	PE(20:3(8Z,11Z,14Z)/P-18:0)	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB11383	PE(P-18:0/20:3(5Z,8Z,11Z))	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB11384	PE(P-18:0/20:3(8Z,11Z,14Z))	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB11415	PE(P-18:1(11Z)/20:2(11Z,14Z))	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+HMDB11448	PE(P-18:1(9Z)/20:2(11Z,14Z))	C43H80NO7P	753.567261	NA	HMDB2010	NA	NA
+MJ093139	(2-Pyridinylmethylene)di-4,1-phenylene hexadecanoate 	C50H75NO4	753.569609	NA	MeJP	NA	NA
+MJ093140	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyoctadecanoyl), 1-O-?-D-glucopyranoside 	C43H79NO9	753.575483	NA	MeJP	NA	NA
+EUR1075	SM(d18:1/18:0) [M+Na]+	C41H84N2O6P	753.588647	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1075	SM(d18:1/18:0) [M+Na]+	C41H84N2O6P	753.588647	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1075	SM(d18:1/18:0) [M+Na]+	C41H84N2O6P	753.588647	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1075	SM(d18:1/18:0) [M+Na]+	C41H84N2O6P	753.588647	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093141	2-Amino-1,3,4-octadecanetriol, N-(2-Hydroxynonacosanoyl) 	C47H95NO5	753.721025	NA	MeJP	NA	NA
+MJ093142	Verticillin D; 13-Ketone 	C32H30N6O8S4	754.100794	NA	MeJP	NA	NA
+MJ093143	4'',6''-Hexahydroxydiphenoylsalidroside; (S)axial-form, 3''-O-(3,4,5-Trihydroxybenzoyl) 	C35H30O19	754.138128	NA	MeJP	NA	NA
+MJ093144	4-Glucosyloxy-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium(1+); 6'''-O-(4-Hydroxycinnamoyl)(E-) 	C40H35O15(+)	754.18977	NA	MeJP	NA	NA
+FL3FADGS0026	Chrysoeriol 7-(3'',6''-di-(E)-p-coumaroylglucoside);7-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C40H34O15	754.18977	625409-67-8	knapsack	NA	NA
+PJ027829	GCCNDDE 	C25H38N8O15S2	754.1898	NA	PeJP	NA	NA
+PJ027830	GGGCCDDE 	C25H38N8O15S2	754.1899	NA	PeJP	NA	NA
+FL3FACGS0048	Luteolin 7-glucuronide-3',4'-dirhamnoside	C33H38O20	754.19564	58970-77-7	knapsack	NA	NA
+FL5FAAGL0085	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside;3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H38O20	754.19564	157407-85-7	knapsack	NA	NA
+FL5FAIGA0003	Syringetin 3-(4''',6'''-diacetylglucosyl)(1->3)-galactoside	C33H38O20	754.19564	-	knapsack	NA	NA
+FL5FCCGS0012	Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside];Rhamnetin 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside];3-[[2-O-D-Apio-beta-D-furanosyl-6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C33H38O20	754.19564	419547-83-4	knapsack	NA	NA
+MJ093145	3',4',5,7-Tetrahydroxyflavone; 3',4'-Di-O-?-L-rhamnopyranoside, 7-O-?-D-glucuronopyranoside 	C33H38O20	754.195643	NA	MeJP	NA	NA
+MJ093146	Astragalin; 6''-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl), 7-O-?-D-glucopyranoside 	C33H38O20	754.195643	NA	MeJP	NA	NA
+PJ027831	CCNDDW 	C29H38N8O12S2	754.2051	NA	PeJP	NA	NA
+PJ027832	SSCNDDD 	C25H38N8O17S	754.2076	NA	PeJP	NA	NA
+PJ027833	SPCCCNE 	C26H42N8O12S3	754.2085	NA	PeJP	NA	NA
+PJ027834	CCMMMH 	C27H46N8O7S5	754.2093	NA	PeJP	NA	NA
+FL3FCACS0023	Spinosin 6'''-(E)-p-coumarate;Swertisin 6'''-O-p-coumaroyl 2''-O-glucoside	C37H38O17	754.21089	77690-93-8	knapsack	NA	NA
+MJ093147	Isomollupentin; 4',7-Di-Me ether, 2''-O-(O-caffeoyl-?-D-glucopyranoside) 	C37H38O17	754.210899	NA	MeJP	NA	NA
+MJ093148	Swertisin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C37H38O17	754.210899	NA	MeJP	NA	NA
+MJ093149	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[Cinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]] 	C37H39O17(+)	754.210899	NA	MeJP	NA	NA
+PJ027835	TCCCYY 	C31H42N6O10S3	754.2125	NA	PeJP	NA	NA
+PJ027836	DDDEMM 	C27H42N6O15S2	754.215	NA	PeJP	NA	NA
+PJ027837	GCCNNNM 	C25H42N10O11S3	754.2197	NA	PeJP	NA	NA
+PJ027838	GSPCCCW 	C30H42N8O9S3	754.2237	NA	PeJP	NA	NA
+PJ027839	GSCNDEM 	C26H42N8O14S2	754.2262	NA	PeJP	NA	NA
+PJ027840	GPCCNMM 	C27H46N8O9S4	754.2271	NA	PeJP	NA	NA
+PJ027841	DDDDEF 	C30H38N6O17	754.2294	NA	PeJP	NA	NA
+FL3FABCS0007	2'''-O-Rhamnosyl-2''-O-glucosylcytisoside	C34H42O19	754.23202	188342-34-9	knapsack	NA	NA
+FL3FABGS0016	Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside;7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O19	754.23202	188342-32-7	knapsack	NA	NA
+FL3FAEGS0009	Luteolin 4'-methyl ether 7-(4G-rhamnosylneohesperidoside)	C34H42O19	754.23202	69414-01-3	knapsack	NA	NA
+FL3FAEGS0012	Diosmetin 7-(2'',6''-dirhamnosyl)-glucoside;7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O19	754.23202	211989-29-6	knapsack	NA	NA
+FL3FCADS0007	Swertisin 4'-O-glucoside-2''-O-rhamnoside	C34H42O19	754.23202	225650-03-3	knapsack	NA	NA
+FL5FABGS0011	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O19	754.23202	194657-34-6	knapsack	NA	NA
+FL5FCAGS0005	Rhamnocitrin 3-rhamninoside	C34H42O19	754.23202	39723-40-5	knapsack	NA	NA
+FL5FCAGS0006	Rhamnocitrin 3-isorhamninoside	C34H42O19	754.23202	73519-10-5	knapsack	NA	NA
+MJ093150	3',5,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093151	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093152	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093153	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093154	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093155	3,5,7-Trihydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093156	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093157	6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1,2-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093158	Raphanusol A 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093159	Sucrose; 1',3'-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093160	Sucrose; 3',4-Bis-O-(4-hydroxy-3,5-dimethoxy-E-cinnamoyl) 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093161	Sucrose; 3',6-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C34H42O19	754.232029	NA	MeJP	NA	NA
+MJ093162	Vitexin; 4'-Me ether, 2''-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] 	C34H42O19	754.232029	NA	MeJP	NA	NA
+PJ027842	CDDEHH 	C28H38N10O13S	754.2341	NA	PeJP	NA	NA
+MJ093163	Berpodine 	C40H38N2O13	754.237389	NA	MeJP	NA	NA
+PJ027843	SSCCNNQ 	C25H42N10O13S2	754.2374	NA	PeJP	NA	NA
+PJ027844	GSCCDDR 	C25H42N10O13S2	754.2375	NA	PeJP	NA	NA
+PJ027845	APCCCCR 	C26H46N10O8S4	754.2383	NA	PeJP	NA	NA
+PJ027846	NNDDDY 	C29H38N8O16	754.2406	NA	PeJP	NA	NA
+PJ027847	SCNDMW 	C30H42N8O11S2	754.2415	NA	PeJP	NA	NA
+MJ093164	Lipopurealins; Lipopurealin C 	C33H52Br2N6O4	754.241679	NA	MeJP	NA	NA
+PJ027848	SSSNDDM 	C26H42N8O16S	754.244	NA	PeJP	NA	NA
+PJ027849	NNDMMM 	C27H46N8O11S3	754.2448	NA	PeJP	NA	NA
+PJ027850	GGNDMMM 	C27H46N8O11S3	754.2449	NA	PeJP	NA	NA
+PJ027851	GCCFYY 	C35H42N6O9S2	754.2455	NA	PeJP	NA	NA
+MJ093165	Ferrichrome C 	C28H44FeN9O12	754.245885	NA	MeJP	NA	NA
+MJ093166	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-6-O-E-cinnamoyl-?-D-glucopyranoside] 	C38H42O16	754.247285	NA	MeJP	NA	NA
+MJ093167	3,3'-Diacetyl-4,4',5,5'-tetrahydroxy-2,2'-dimethyl-1,1'-binaphthalene; 5,5'-Di-O-?-D-glucopyranoside 	C38H42O16	754.247285	NA	MeJP	NA	NA
+PJ027852	PDDDMY 	C31H42N6O14S	754.248	NA	PeJP	NA	NA
+PJ027853	SEEEMM 	C28H46N6O14S2	754.2514	NA	PeJP	NA	NA
+PJ027854	PDMMMM 	C29H50N6O9S4	754.2522	NA	PeJP	NA	NA
+PJ027855	GSSSSCNN 	C25H42N10O15S	754.2552	NA	PeJP	NA	NA
+PJ027856	CCNEMR 	C26H46N10O10S3	754.2561	NA	PeJP	NA	NA
+PJ027857	GTCCWW 	C34H42N8O8S2	754.2567	NA	PeJP	NA	NA
+PJ027858	GSSSCEW 	C30H42N8O13S	754.2592	NA	PeJP	NA	NA
+PJ027859	GGGGDDMF 	C30H42N8O13S	754.2593	NA	PeJP	NA	NA
+PJ027860	GCQMMW 	C31H46N8O8S3	754.2601	NA	PeJP	NA	NA
+PJ027861	GSSSSSDE 	C26H42N8O18	754.2617	NA	PeJP	NA	NA
+PJ027862	GSSNEMM 	C27H46N8O13S2	754.2626	NA	PeJP	NA	NA
+PJ027863	GSCYYY 	C35H42N6O11S	754.2632	NA	PeJP	NA	NA
+PJ027864	APCCCKM 	C28H50N8O8S4	754.2635	NA	PeJP	NA	NA
+PJ027865	CNNMHH 	C28H42N12O9S2	754.2639	NA	PeJP	NA	NA
+PJ027866	GGCNMHH 	C28H42N12O9S2	754.264	NA	PeJP	NA	NA
+PJ027867	GEEEEY 	C31H42N6O16	754.2658	NA	PeJP	NA	NA
+PJ027868	PDDMMF 	C32H46N6O11S2	754.2666	NA	PeJP	NA	NA
+PJ027869	CCCDRR 	C25H46N12O9S3	754.2673	NA	PeJP	NA	NA
+MJ093168	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[4-hydroxy-3-methoxycinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C35H46O18	754.268414	NA	MeJP	NA	NA
+MJ093169	Bruceolide; 15-O-(4-Acetoxy-4-methyl-2E-pentenoyl), 3-O-?-D-glucopyranoside 	C35H46O18	754.268414	NA	MeJP	NA	NA
+MJ093170	Bruceosin; 18-Carboxylic acid, 15-deacyl, 15-(4-acetoxy-3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside 	C35H46O18	754.268414	NA	MeJP	NA	NA
+PJ027870	VDEMMM 	C29H50N6O11S3	754.27	NA	PeJP	NA	NA
+PJ027871	CNNNQY 	C29H42N10O12S	754.2705	NA	PeJP	NA	NA
+PJ027872	GCCMRW 	C30H46N10O7S3	754.2713	NA	PeJP	NA	NA
+PJ027873	GSSCDMR 	C26H46N10O12S2	754.2738	NA	PeJP	NA	NA
+PJ027874	SSSCWW 	C34H42N8O10S	754.2745	NA	PeJP	NA	NA
+PJ027875	SSSSSDW 	C30H42N8O15	754.277	NA	PeJP	NA	NA
+PJ027876	STCQMW 	C31H46N8O10S2	754.2778	NA	PeJP	NA	NA
+PJ027877	SSNMMW 	C31H46N8O10S2	754.2779	NA	PeJP	NA	NA
+PJ027878	SSTTCQE 	C27H46N8O15S	754.2803	NA	PeJP	NA	NA
+PJ027879	SSSSQEM 	C27H46N8O15S	754.2804	NA	PeJP	NA	NA
+PJ027880	EEEYW 	C35H42N6O13	754.281	NA	PeJP	NA	NA
+PJ027881	SQQMMM 	C28H50N8O10S3	754.2812	NA	PeJP	NA	NA
+PJ027882	GSSCQHH 	C28H42N12O11S	754.2817	NA	PeJP	NA	NA
+MJ093171	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl(E-), 2,7,9,10,19-penta-Ac 	C39H46O15	754.28367	NA	MeJP	NA	NA
+PJ027883	SPEEMY 	C32H46N6O13S	754.2844	NA	PeJP	NA	NA
+PJ027884	PCDHHF 	C33H42N10O9S	754.2857	NA	PeJP	NA	NA
+PJ027885	GSSNNNY 	C29H42N10O14	754.2882	NA	PeJP	NA	NA
+PJ027886	STCCRW 	C30H46N10O9S2	754.2891	NA	PeJP	NA	NA
+PJ027887	CNFWW 	C38H42N8O7S	754.2897	NA	PeJP	NA	NA
+PJ027888	GGCFWW 	C38H42N8O7S	754.2898	NA	PeJP	NA	NA
+PJ027889	SSSSCER 	C26H46N10O14S	754.2916	NA	PeJP	NA	NA
+PJ027890	GSNEYW 	C34H42N8O12	754.2922	NA	PeJP	NA	NA
+PJ027891	GGGSEYW 	C34H42N8O12	754.2923	NA	PeJP	NA	NA
+PJ027892	SCQMMR 	C27H50N10O9S3	754.2925	NA	PeJP	NA	NA
+PJ027893	ACMHFF 	C35H46N8O7S2	754.2931	NA	PeJP	NA	NA
+PJ027894	GSSSTMW 	C31H46N8O12S	754.2956	NA	PeJP	NA	NA
+PJ027895	GCKMMW 	C32H50N8O7S3	754.2965	NA	PeJP	NA	NA
+PJ027896	GSSSSTTE 	C27H46N8O17	754.2981	NA	PeJP	NA	NA
+MJ093172	Antibiotic AS 186C 	C43H46O12	754.298926	NA	MeJP	NA	NA
+PJ027897	GSSDKMM 	C28H50N8O12S2	754.299	NA	PeJP	NA	NA
+PJ027898	SSSSNHH 	C28H42N12O13	754.2995	NA	PeJP	NA	NA
+PJ027899	PPCEFY 	C36H46N6O10S	754.2996	NA	PeJP	NA	NA
+PJ027900	CCQKHH 	C29H46N12O8S2	754.3003	NA	PeJP	NA	NA
+PJ027901	SVEEEY 	C32H46N6O15	754.3021	NA	PeJP	NA	NA
+PJ027902	PVDMMY 	C33H50N6O10S2	754.303	NA	PeJP	NA	NA
+PJ027903	SPNDHW 	C33H42N10O11	754.3035	NA	PeJP	NA	NA
+PJ027904	SCCMRR 	C26H50N12O8S3	754.3037	NA	PeJP	NA	NA
+MJ093173	Carboxyparquin; 19-Decarboxy 	C36H50O17	754.3048	NA	MeJP	NA	NA
+MJ093174	Esulatin C 	C36H50O17	754.3048	NA	MeJP	NA	NA
+MJ093175	Terracinolide A; 13?-Hydroxy, 6-debenzoyl, 15-de-Ac, 6-Ac 	C36H50O17	754.3048	NA	MeJP	NA	NA
+MJ093176	Nannochelin C; 1-Me ester 	C37H46N4O13	754.306137	NA	MeJP	NA	NA
+PJ027905	TLEMMM 	C30H54N6O10S3	754.3064	NA	PeJP	NA	NA
+PJ027906	ACNERY 	C30H46N10O11S	754.3068	NA	PeJP	NA	NA
+PJ027907	GNDMRY 	C30H46N10O11S	754.3069	NA	PeJP	NA	NA
+PJ027908	SNYWW 	C38H42N8O9	754.3075	NA	PeJP	NA	NA
+PJ027909	GMHHHH 	C31H42N14O7S	754.3082	NA	PeJP	NA	NA
+PJ027910	GSSSMMR 	C27H50N10O11S2	754.3102	NA	PeJP	NA	NA
+PJ027911	QQMYW 	C35H46N8O9S	754.3109	NA	PeJP	NA	NA
+PJ027912	SSSSTTW 	C31H46N8O14	754.3134	NA	PeJP	NA	NA
+PJ027913	STCKMW 	C32H50N8O9S2	754.3142	NA	PeJP	NA	NA
+PJ027914	GGPCKMY 	C32H50N8O9S2	754.3143	NA	PeJP	NA	NA
+PJ027915	GNNQHW 	C32H42N12O10	754.3147	NA	PeJP	NA	NA
+PJ027916	SSSSKEM 	C28H50N8O14S	754.3167	NA	PeJP	NA	NA
+MJ093177	Phomopsin A; Dechloro 	C36H46N6O12	754.31737	NA	MeJP	NA	NA
+PJ027917	SPPEYY 	C36H46N6O12	754.3174	NA	PeJP	NA	NA
+PJ027918	SQKMMM 	C29H54N8O9S3	754.3176	NA	PeJP	NA	NA
+PJ027919	PCNEHR 	C29H46N12O10S	754.3181	NA	PeJP	NA	NA
+PJ027920	EHHFW 	C37H42N10O8	754.3187	NA	PeJP	NA	NA
+MJ093178	Zaragozic acid C 	C40H50O14	754.320056	NA	MeJP	NA	NA
+MetaCyc04103	zaragozic acid C []	C40H50O14	754.320056	NA	metacyc	NA	NA
+PJ027921	ALEEMY 	C33H50N6O12S	754.3208	NA	PeJP	NA	NA
+PJ027922	PVMMMF 	C34H54N6O7S3	754.3216	NA	PeJP	NA	NA
+PJ027923	CQRYW 	C34H46N10O8S	754.3221	NA	PeJP	NA	NA
+PJ027924	SSNERY 	C30H46N10O13	754.3246	NA	PeJP	NA	NA
+PJ027925	VLMMMM 	C31H58N6O7S4	754.325	NA	PeJP	NA	NA
+PJ027926	GNMMFR 	C31H50N10O8S2	754.3255	NA	PeJP	NA	NA
+PJ027927	STHHHH 	C31H42N14O9	754.3259	NA	PeJP	NA	NA
+PJ027928	PNNHHH 	C31H42N14O9	754.326	NA	PeJP	NA	NA
+PJ027929	SSSSTMR 	C27H50N10O13S	754.328	NA	PeJP	NA	NA
+PJ027930	GSDKYW 	C35H46N8O11	754.3286	NA	PeJP	NA	NA
+PJ027931	GGGAAEFF 	C35H46N8O11	754.3287	NA	PeJP	NA	NA
+PJ027932	SCKMMR 	C28H54N10O8S3	754.3289	NA	PeJP	NA	NA
+PJ027933	GQKEMY 	C32H50N8O11S	754.332	NA	PeJP	NA	NA
+PJ027934	GPCHRW 	C33H46N12O7S	754.3334	NA	PeJP	NA	NA
+PJ027935	SSSSSSTL 	C28H50N8O16	754.3345	NA	PeJP	NA	NA
+PJ027936	GSTTKMM 	C29H54N8O11S2	754.3354	NA	PeJP	NA	NA
+PJ027937	ANEEHR 	C29H46N12O12	754.3358	NA	PeJP	NA	NA
+PJ027938	GQEEHR 	C29H46N12O12	754.3359	NA	PeJP	NA	NA
+PJ027939	PPCLYY 	C37H50N6O9S	754.336	NA	PeJP	NA	NA
+PJ027940	ACCFRR 	C30H50N12O7S2	754.3367	NA	PeJP	NA	NA
+PJ027941	TTLEEY 	C33H50N6O14	754.3385	NA	PeJP	NA	NA
+PJ027942	PTLMMY 	C34H54N6O9S2	754.3394	NA	PeJP	NA	NA
+PJ027943	GSSRYW 	C34H46N10O10	754.3399	NA	PeJP	NA	NA
+MJ093179	3,7-Dimethyl-2,6-octadien-1-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxycinnamoyl(?4)]-?-D-glucopyranoside] 	C37H54O16	754.341185	NA	MeJP	NA	NA
+MJ093180	Trillenogenin; 24-Epimer, 1-O-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl 	C37H54O16	754.341185	NA	MeJP	NA	NA
+PJ027944	GTQMRY 	C31H50N10O10S	754.3432	NA	PeJP	NA	NA
+PJ027945	GGGSPLMH 	C31H50N10O10S	754.3433	NA	PeJP	NA	NA
+MJ093181	Helicokinin I 	C39H46N8O8	754.34386	NA	MeJP	NA	NA
+PJ027946	QQFFW 	C39H46N8O8	754.3439	NA	PeJP	NA	NA
+PJ027947	GDDHRR 	C28H46N14O11	754.3471	NA	PeJP	NA	NA
+PJ027948	QKMYW 	C36H50N8O8S	754.3472	NA	PeJP	NA	NA
+PJ027949	GAKMYW 	C36H50N8O8S	754.3473	NA	PeJP	NA	NA
+PJ027950	ASSSLQY 	C32H50N8O13	754.3497	NA	PeJP	NA	NA
+PJ027951	STQKEY 	C32H50N8O13	754.3498	NA	PeJP	NA	NA
+PJ027952	AQKMMF 	C33H54N8O8S2	754.3506	NA	PeJP	NA	NA
+PJ027953	QEHRW 	C33H46N12O9	754.3511	NA	PeJP	NA	NA
+PJ027954	SSTTTKM 	C29H54N8O13S	754.3531	NA	PeJP	NA	NA
+PJ027955	APLEYY 	C37H50N6O11	754.3538	NA	PeJP	NA	NA
+PJ027956	SKKMMM 	C30H58N8O8S3	754.354	NA	PeJP	NA	NA
+35	Collagen	GFXGTXGLXGF	754.354	celiac toxic	Inhouse_peptide	NA	peptide
+PJ027957	GTCRRY 	C30H50N12O9S	754.3545	NA	PeJP	NA	NA
+PJ027958	VQHWW 	C38H46N10O7	754.3551	NA	PeJP	NA	NA
+PJ027959	SLLEMY 	C34H54N6O11S	754.3571	NA	PeJP	NA	NA
+PJ027960	VTLEMY 	C34H54N6O11S	754.3572	NA	PeJP	NA	NA
+PJ027961	CKRYW 	C35H50N10O7S	754.3585	NA	PeJP	NA	NA
+PJ027962	SSDKRY 	C31H50N10O12	754.361	NA	PeJP	NA	NA
+PJ027963	ACKMFR 	C32H54N10O7S2	754.3619	NA	PeJP	NA	NA
+MJ093182	Cyclo(L-isoleucyl-D-2,3,4,5-tetrahydro-3-pyridazinecarbonyl-L-2,3,4,5-tetrahydro-3-pyridazinecarbonyl-N-methyl-D-phenylalanyl-L-propylthio-D-phenylalanyl) 	C40H50N8O5S	754.362487	NA	MeJP	NA	NA
+PJ027964	GTTKYW 	C36H50N8O10	754.365	NA	PeJP	NA	NA
+PJ027965	SPCHRR 	C29H50N14O8S	754.3657	NA	PeJP	NA	NA
+PJ027966	AHRWW 	C37H46N12O6	754.3664	NA	PeJP	NA	NA
+PJ027967	GKKEMY 	C33H54N8O10S	754.3684	NA	PeJP	NA	NA
+PJ027968	PPTFFF 	C41H50N6O8	754.369	NA	PeJP	NA	NA
+PJ027969	SSSRRY 	C30H50N12O11	754.3722	NA	PeJP	NA	NA
+PJ027970	GGGGASPPR 	C30H50N12O11	754.3723	NA	PeJP	NA	NA
+PJ027971	PVVMFY 	C38H54N6O8S	754.3724	NA	PeJP	NA	NA
+PJ027972	VVLMMY 	C35H58N6O8S2	754.3758	NA	PeJP	NA	NA
+PJ027973	SPTKHW 	C35H50N10O9	754.3762	NA	PeJP	NA	NA
+PJ027974	APPERW 	C35H50N10O9	754.3763	NA	PeJP	NA	NA
+MJ093183	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-talopyranoside], 1-Ac 	C38H58O15	754.377571	NA	MeJP	NA	NA
+MJ093184	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C38H58O15	754.377571	NA	MeJP	NA	NA
+MJ093185	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C38H58O15	754.377571	NA	MeJP	NA	NA
+PJ027975	GTKMRY 	C32H54N10O9S	754.3796	NA	PeJP	NA	NA
+PJ027976	GPPLWW 	C40H50N8O7	754.3803	NA	PeJP	NA	NA
+MJ093186	Topostatin 	C36H58N4O11S	754.382279	NA	MeJP	NA	NA
+PJ027977	GTEHRR 	C29H50N14O10	754.3835	NA	PeJP	NA	NA
+PJ027978	KKMYW 	C37H54N8O7S	754.3836	NA	PeJP	NA	NA
+PJ027979	PPPKMW 	C37H54N8O7S	754.3837	NA	PeJP	NA	NA
+PJ027980	STKKEY 	C33H54N8O12	754.3861	NA	PeJP	NA	NA
+PJ027981	GPPVKEE 	C33H54N8O12	754.3862	NA	PeJP	NA	NA
+PJ027982	AKKMMF 	C34H58N8O7S2	754.387	NA	PeJP	NA	NA
+PJ027983	KEHRW 	C34H50N12O8	754.3875	NA	PeJP	NA	NA
+PJ027984	SPLLYY 	C38H54N6O10	754.3902	NA	PeJP	NA	NA
+PJ027985	SPKMHR 	C31H54N12O8S	754.3909	NA	PeJP	NA	NA
+PJ027986	VKHWW 	C39H50N10O6	754.3915	NA	PeJP	NA	NA
+MJ093187	Peduncularidine 	C43H54N4O8	754.394164	NA	MeJP	NA	NA
+PJ027987	STTKRY 	C32H54N10O11	754.3974	NA	PeJP	NA	NA
+PJ027988	THRRW 	C33H50N14O7	754.3987	NA	PeJP	NA	NA
+MJ093188	Brachystemin A 	C37H54N8O9	754.401375	NA	MeJP	NA	NA
+PJ027989	PPVKEW 	C37H54N8O9	754.4014	NA	PeJP	NA	NA
+PJ027990	GVMHRR 	C30H54N14O7S	754.4021	NA	PeJP	NA	NA
+PJ027991	SVKKMY 	C34H58N8O9S	754.4048	NA	PeJP	NA	NA
+PJ027992	PVVFFF 	C42H54N6O7	754.4054	NA	PeJP	NA	NA
+PJ027993	PPTERR 	C31H54N12O10	754.4086	NA	PeJP	NA	NA
+PJ027994	VVLMFF 	C39H58N6O7S	754.4088	NA	PeJP	NA	NA
+PJ027995	SPPLRW 	C36H54N10O8	754.4126	NA	PeJP	NA	NA
+PJ027996	GGPLKHF 	C36H54N10O8	754.4127	NA	PeJP	NA	NA
+PJ027997	MHRRR 	C29H54N16O6S	754.4133	NA	PeJP	NA	NA
+MJ093189	16,22,26-Trihydroxycholest-4-en-3-one, 22-Ketone, 16-O-[?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093190	3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093191	3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093192	Pamaqueside 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093193	Spirost-25(27)-ene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093194	Spirost-25(27)-ene-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093195	Spirost-5-ene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093196	Spirost-5-ene-1,3,24-triol, 1-O-?-D-Fucopyranoside, 24-O-?-D-glucopyranoside 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093197	Spirost-5-ene-1,3,24-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093198	Spirost-5-ene-3,17,27-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093199	Spirost-5-ene-3,23-diol, 23-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H62O14	754.413956	NA	MeJP	NA	NA
+MJ093200	14,15-Epoxy-3,16-dihydoxybufa-20,22-dienolide, 3-(N-Suberoyl-L-argininoyl), 16-Ac 	C40H58N4O10	754.415294	NA	MeJP	NA	NA
+PJ027998	AAPPLMR 	C33H58N10O8S	754.416	NA	PeJP	NA	NA
+PJ027999	KKFFW 	C41H54N8O6	754.4167	NA	PeJP	NA	NA
+PJ028000	SSLHRR 	C30H54N14O9	754.4199	NA	PeJP	NA	NA
+PJ028001	APPTLKE 	C34H58N8O11	754.4225	NA	PeJP	NA	NA
+PJ028002	GGGPLLLE 	C34H58N8O11	754.4226	NA	PeJP	NA	NA
+PJ028003	APKHFR 	C35H54N12O7	754.4239	NA	PeJP	NA	NA
+PJ028004	ALLLYY 	C39H58N6O9	754.4265	NA	PeJP	NA	NA
+PJ028005	VVVLYY 	C39H58N6O9	754.4266	NA	PeJP	NA	NA
+PJ028006	PPVMRR 	C32H58N12O7S	754.4273	NA	PeJP	NA	NA
+MJ093201	12-Oleanene-3,16,21,28-tetrol, 21-Benzoyl, 3-O-?-D-glucuronopyranoside 	C43H62O11	754.429212	NA	MeJP	NA	NA
+MJ093202	Voamatin C 	C43H62O11	754.429212	NA	MeJP	NA	NA
+PJ028007	GPNRRR 	C29H54N16O8	754.4311	NA	PeJP	NA	NA
+8293	Fatty acid synthase inhibitor	KNPQLR	754.4319	NA  ;SYN:(+)-2-Amino-3-mercaptopropionic acid; (2R)-2-amino-3-mercaptopropanoic acid; (2R)-2-amino-3-sulfanylpropanoic acid; (R)-2-Amino-3-mercaptopropanoate; (R)-2-amino-3-mercapto-Propanoic acid; (R)-(+)-cysteine; (R)-cysteine; 2-Amino-3-mercaptopropanoic acid; 2-Amino-3-mercaptopropionate; 2-Amino-3-mercaptopropionic acid; 3-mercapto-L-Alanine; B-mercaptoalanine; Carbocysteine; Cisteina; Cisteinum; Cystein; Cysteine; Cysteinum; Half-cystine; Free cysteine; L cysteine; L-(+)-cysteine; L-2-Amino-3-mercaptopropanoic acid; L-2-Amino-3-mercaptopropionic acid; L-cystein; L-cysteine; Polycysteine; Thioserine; alpha-amino-beta-thiolpropionic acid; beta-mercaptoalanine; acetylcysteine; (2R)-2-amino-3-mercaptopropanoate; (2R)-2-amino-3-sulfanylpropanoate; (R)-2-Amino-3-mercaptopropanoic acid; (R)-2-amino-3-mercapto-Propanoate; 2-Amino-3-mercaptopropanoate; L-2-Amino-3-mercaptopropanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MJ093203	Xestosterol; 3-O-(18-Bromo-9E,17E-octadecadiene-5,7,15-triynoyl) 	C48H67BrO2	754.432444	NA	MeJP	NA	NA
+MJ093204	Edeine; Edeine A1 	C33H58N10O10	754.433738	NA	MeJP	NA	NA
+PJ028008	PLLQER 	C33H58N10O10	754.4338	NA	PeJP	NA	NA
+PJ028009	PVLLQW 	C38H58N8O8	754.4378	NA	PeJP	NA	NA
+PJ028010	GPPLLKM 	C35H62N8O8S	754.4412	NA	PeJP	NA	NA
+MJ093205	Diboviquinone-3,4 	C47H62O8	754.444468	NA	MeJP	NA	NA
+PJ028011	PVVERR 	C32H58N12O9	754.445	NA	PeJP	NA	NA
+PJ028012	APLLRW 	C37H58N10O7	754.449	NA	PeJP	NA	NA
+MJ093206	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3,6-Di-O-?-D-xylopyranoside 	C40H66O13	754.450342	NA	MeJP	NA	NA
+MJ093207	20,25-Epoxycycloartane-3,6,16,24-tetrol, 3,6-Di-O-?-D-xylopyranoside 	C40H66O13	754.450342	NA	MeJP	NA	NA
+MJ093208	Pregn-6-ene-3,17,20-triol, 3-O-?-D-Fucopyranoside, 20-O-[2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranosyl-(1?3)-2,6-dideoxy-?-D-arabino-hexopyranoside] 	C40H66O13	754.450342	NA	MeJP	NA	NA
+PJ028013	VLKKMH 	C34H62N10O7S	754.4524	NA	PeJP	NA	NA
+C13890	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-pyrophosphate	C37H72O11P2	754.455	NA	KEGG	NA	NA
+PJ028014	APQKRR 	C31H58N14O8	754.4562	NA	PeJP	NA	NA
+PJ028015	GAAPKRR 	C31H58N14O8	754.4563	NA	PeJP	NA	NA
+PJ028016	GPVLLKE 	C35H62N8O10	754.4589	NA	PeJP	NA	NA
+PJ028017	PLLKER 	C34H62N10O9	754.4702	NA	PeJP	NA	NA
+PJ028018	PVLLKW 	C39H62N8O7	754.4742	NA	PeJP	NA	NA
+PJ028019	PTLLRR 	C33H62N12O8	754.4814	NA	PeJP	NA	NA
+C17544	Chikusetsusaponin Ia	C41H70O12	754.4867	NA	KEGG	NA	NA
+MJ093209	20,24-Epoxydammarane-3,12,25-triol, 3-O-?-L-Arabinofuranoside, 12-O-(6-deoxy-?-D-glucopyranoside) 	C41H70O12	754.486727	NA	MeJP	NA	NA
+MJ093210	Dammar-24-ene-3,12,20-triol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O12	754.486727	NA	MeJP	NA	NA
+MJ093211	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O12	754.486727	NA	MeJP	NA	NA
+MJ093212	Dolabelide B 	C41H70O12	754.486727	NA	MeJP	NA	NA
+MJ093213	Mutalomycin 	C41H70O12	754.486727	NA	MeJP	NA	NA
+PJ028020	APKKRR 	C32H62N14O7	754.4926	NA	PeJP	NA	NA
+PJ028021	APTLLLK 	C36H66N8O9	754.4953	NA	PeJP	NA	NA
+PJ028022	LLLLQR 	C35H66N10O8	754.5065	NA	PeJP	NA	NA
+PJ028023	VVLLRR 	C34H66N12O7	754.5178	NA	PeJP	NA	NA
+PJ028024	GVLLLLK 	C37H70N8O8	754.5317	NA	PeJP	NA	NA
+MJ093214	43-Hydroxy-2,44-pentatetracontapentaenediynoic acid; Me ester 	C46H74O8	754.538369	NA	MeJP	NA	NA
+PJ028025	LLLLKR 	C36H70N10O7	754.5429	NA	PeJP	NA	NA
+MJ093215	Celastroidine A 	C50H74O5	754.553625	NA	MeJP	NA	NA
+MJ093216	1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z-octadecadienoate) 2-hexadecanoate, 3-O-?-D-Galactopyranoside (2S-) 	C43H78O10	754.559498	NA	MeJP	NA	NA
+MJ093217	1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate, 3-O-?-D-Galactopyranoside 	C43H78O10	754.559498	NA	MeJP	NA	NA
+MetaCyc04104	1-18:1-2-16:1-monogalactosyldiacylglycerol []	C43H78O10	754.559499	NA	metacyc	NA	NA
+EUR1045	SM(d18:0/18:0) [M+Na]+	C41H85N2O6P	754.596472	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1045	SM(d18:0/18:0) [M+Na]+	C41H85N2O6P	754.596472	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1045	SM(d18:0/18:0) [M+Na]+	C41H85N2O6P	754.596472	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1045	SM(d18:0/18:0) [M+Na]+	C41H85N2O6P	754.596472	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB13465	SM(d18:0/20:2(11Z,14Z))	C43H83N2O6P	754.598877	NA	HMDB2010	NA	NA
+MJ093218	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 34,35-Dihydro, 34,35-dihydroxy 	C45H86O8	754.632269	NA	MeJP	NA	NA
+HMDB07703	DG(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)/0:0)	C49H86O5	754.647522	NA	HMDB2010	NA	NA
+HMDB07731	DG(22:5(4Z,7Z,10Z,13Z,16Z)/24:0/0:0)	C49H86O5	754.647522	NA	HMDB2010	NA	NA
+HMDB07760	DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:0/0:0)	C49H86O5	754.647522	NA	HMDB2010	NA	NA
+HMDB07815	DG(24:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)	C49H86O5	754.647522	NA	HMDB2010	NA	NA
+HMDB07816	DG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	C49H86O5	754.647522	NA	HMDB2010	NA	NA
+HMDB07843	DG(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)/0:0)	C49H86O5	754.647522	NA	HMDB2010	NA	NA
+MJ093219	Araplysillin I; N20,N20,N20-Tri-Me 	C24H30Br4N3O5(+)	754.884071	NA	MeJP	NA	NA
+MJ093220	Antibiotic S 3907C4B; 4''-O-Sulfate 	C25H29N3O18S3	755.060823	NA	MeJP	NA	NA
+MJ093221	Taitomycin B 	C31H31N8O9S3	755.137611	NA	MeJP	NA	NA
+PJ028026	GCCCCMH 	C25H41N9O8S5	755.1682	NA	PeJP	NA	NA
+PJ028027	GCCDDDE 	C25H37N7O16S2	755.1739	NA	PeJP	NA	NA
+PJ028028	STCCCCH 	C25H41N9O10S4	755.1859	NA	PeJP	NA	NA
+PJ028029	GGPCCCCN 	C25H41N9O10S4	755.186	NA	PeJP	NA	NA
+PJ028030	CCDDDW 	C29H37N7O13S2	755.1891	NA	PeJP	NA	NA
+PJ028031	SSCDDDD 	C25H37N7O18S	755.1916	NA	PeJP	NA	NA
+PJ028032	SPCCCDE 	C26H41N7O13S3	755.1925	NA	PeJP	NA	NA
+PJ028033	PPCCCCM 	C27H45N7O8S5	755.1934	NA	PeJP	NA	NA
+PJ028034	GCCNNDM 	C25H41N9O12S3	755.2037	NA	PeJP	NA	NA
+PJ028035	GSCDDEM 	C26H41N7O15S2	755.2102	NA	PeJP	NA	NA
+PJ028036	GPCCDMM 	C27H45N7O10S4	755.2111	NA	PeJP	NA	NA
+PJ028037	CCCNQW 	C29H41N9O9S3	755.219	NA	PeJP	NA	NA
+PJ028038	SSCCNNE 	C25H41N9O14S2	755.2215	NA	PeJP	NA	NA
+PJ028039	NDDDDY 	C29H37N7O17	755.2246	NA	PeJP	NA	NA
+PJ028040	SCDDMW 	C30H41N7O12S2	755.2255	NA	PeJP	NA	NA
+PJ028041	SSSDDDM 	C26H41N7O17S	755.228	NA	PeJP	NA	NA
+PJ028042	NDDMMM 	C27H45N7O12S3	755.2289	NA	PeJP	NA	NA
+PJ028043	GPCCCHH 	C28H41N11O8S3	755.2302	NA	PeJP	NA	NA
+PJ028044	GSSCCNW 	C29H41N9O11S2	755.2367	NA	PeJP	NA	NA
+PJ028045	GSSSSCND 	C25H41N9O16S	755.2392	NA	PeJP	NA	NA
+PJ028046	CCDEMR 	C26H45N9O11S3	755.2401	NA	PeJP	NA	NA
+PJ028047	GSPCDDY 	C30H41N7O14S	755.2433	NA	PeJP	NA	NA
+PJ028048	GCEMMW 	C31H45N7O9S3	755.2441	NA	PeJP	NA	NA
+PJ028049	GSSDEMM 	C27H45N7O14S2	755.2466	NA	PeJP	NA	NA
+PJ028050	GSPCMMM 	C28H49N7O9S4	755.2475	NA	PeJP	NA	NA
+PJ028051	CNDMHH 	C28H41N11O10S2	755.248	NA	PeJP	NA	NA
+PJ028052	GSCCCQR 	C25H45N11O10S3	755.2513	NA	PeJP	NA	NA
+PJ028053	CNNNEY 	C29H41N9O13S	755.2545	NA	PeJP	NA	NA
+PJ028054	CCCNKW 	C30H45N9O8S3	755.2553	NA	PeJP	NA	NA
+PJ028055	GGCCCKW 	C30H45N9O8S3	755.2554	NA	PeJP	NA	NA
+PJ028056	SSSCNQM 	C26H45N9O13S2	755.2578	NA	PeJP	NA	NA
+PJ028057	GGSSSCQM 	C26H45N9O13S2	755.2579	NA	PeJP	NA	NA
+PJ028058	GCDEFW 	C34H41N7O11S	755.2585	NA	PeJP	NA	NA
+PJ028059	CMMWW 	C35H45N7O6S3	755.2594	NA	PeJP	NA	NA
+PJ028060	SNDEEY 	C30H41N7O16	755.261	NA	PeJP	NA	NA
+PJ028061	SSDMMW 	C31H45N7O11S2	755.2619	NA	PeJP	NA	NA
+PJ028062	ACCHHW 	C32H41N11O7S2	755.2632	NA	PeJP	NA	NA
+PJ028063	SSSSEEM 	C27H45N7O16S	755.2644	NA	PeJP	NA	NA
+PJ028064	SQEMMM 	C28H49N7O11S3	755.2652	NA	PeJP	NA	NA
+PJ028065	AVTCCEM 	C28H49N7O11S3	755.2653	NA	PeJP	NA	NA
+PJ028066	GSSCEHH 	C28H41N11O12S	755.2657	NA	PeJP	NA	NA
+PJ028067	SSSCCNR 	C25H45N11O12S2	755.2691	NA	PeJP	NA	NA
+PJ028068	GCNNYW 	C33H41N9O10S	755.2697	NA	PeJP	NA	NA
+PJ028069	GGGGGCYW 	C33H41N9O10S	755.2698	NA	PeJP	NA	NA
+PJ028070	GSSNNDY 	C29H41N9O15	755.2722	NA	PeJP	NA	NA
+PJ028071	GGGGGSSDY 	C29H41N9O15	755.2723	NA	PeJP	NA	NA
+PJ028072	PCCDRY 	C30H45N9O10S2	755.2731	NA	PeJP	NA	NA
+PJ028073	CDFWW 	C38H41N7O8S	755.2738	NA	PeJP	NA	NA
+PJ028074	GSSSSSNM 	C26H45N9O15S	755.2756	NA	PeJP	NA	NA
+PJ028075	GSDEYW 	C34H41N7O13	755.2763	NA	PeJP	NA	NA
+PJ028076	SCEMMR 	C27H49N9O10S3	755.2765	NA	PeJP	NA	NA
+PJ028077	GPCMYW 	C35H45N7O8S2	755.2771	NA	PeJP	NA	NA
+MJ093222	Alangiside; 2'-O-[4-(1,3-Dihydroxypropoxy)-3-methoxycinnamoyl](E-) 	C38H45NO15	755.278919	NA	MeJP	NA	NA
+PJ028078	GQEEMY 	C31H45N7O13S	755.2796	NA	PeJP	NA	NA
+PJ028079	GTMMMW 	C32H49N7O8S3	755.2805	NA	PeJP	NA	NA
+PJ028080	SSCHHW 	C32H41N11O9S	755.281	NA	PeJP	NA	NA
+PJ028081	GSTTEMM 	C28H49N7O13S2	755.283	NA	PeJP	NA	NA
+PJ028082	SSSSDHH 	C28H41N11O14	755.2835	NA	PeJP	NA	NA
+PJ028083	VNMMMM 	C29H53N7O8S4	755.2839	NA	PeJP	NA	NA
+PJ028084	CCNNFR 	C29H45N11O9S2	755.2843	NA	PeJP	NA	NA
+PJ028085	GGGGCCFR 	C29H45N11O9S2	755.2844	NA	PeJP	NA	NA
+PJ028086	SPDDHW 	C33H41N9O12	755.2875	NA	PeJP	NA	NA
+PJ028087	GSCCCKR 	C26H49N11O9S3	755.2877	NA	PeJP	NA	NA
+PJ028088	GDDMRY 	C30H45N9O12S	755.2909	NA	PeJP	NA	NA
+PJ028089	SDYWW 	C38H41N7O10	755.2915	NA	PeJP	NA	NA
+PJ028090	PCCMFR 	C31H49N9O7S3	755.2917	NA	PeJP	NA	NA
+PJ028091	SSSSSSSQ 	C26H45N9O17	755.2933	NA	PeJP	NA	NA
+PJ028092	GGSSSSSST 	C26H45N9O17	755.2934	NA	PeJP	NA	NA
+PJ028093	SSSCNKM 	C27H49N9O12S2	755.2942	NA	PeJP	NA	NA
+PJ028094	GSNNNNH 	C27H41N13O13	755.2947	NA	PeJP	NA	NA
+PJ028095	QEMYW 	C35H45N7O10S	755.2949	NA	PeJP	NA	NA
+PJ028096	GMMMMR 	C28H53N9O7S4	755.2951	NA	PeJP	NA	NA
+PJ028097	TCCHHR 	C28H45N13O8S2	755.2956	NA	PeJP	NA	NA
+PJ028098	STQEEY 	C31H45N7O15	755.2974	NA	PeJP	NA	NA
+PJ028099	STTMMW 	C32H49N7O10S2	755.2982	NA	PeJP	NA	NA
+PJ028100	SPQMMY 	C32H49N7O10S2	755.2983	NA	PeJP	NA	NA
+PJ028101	GNNEHW 	C32H41N11O11	755.2987	NA	PeJP	NA	NA
+PJ028102	GGGGGEHW 	C32H41N11O11	755.2988	NA	PeJP	NA	NA
+PJ028103	SSTTTEM 	C28H49N7O15S	755.3007	NA	PeJP	NA	NA
+PJ028104	SKEMMM 	C29H53N7O10S3	755.3016	NA	PeJP	NA	NA
+PJ028105	SCNNRY 	C29H45N11O11S	755.3021	NA	PeJP	NA	NA
+PJ028106	CERYW 	C34H45N9O9S	755.3061	NA	PeJP	NA	NA
+PJ028107	SSDERY 	C30H45N9O14	755.3086	NA	PeJP	NA	NA
+PJ028108	GGGGAPPDE 	C30H45N9O14	755.3087	NA	PeJP	NA	NA
+PJ028109	SPCMRY 	C31H49N9O9S2	755.3095	NA	PeJP	NA	NA
+PJ028110	PNDHHH 	C31H41N13O10	755.31	NA	PeJP	NA	NA
+PJ028111	AMYWW 	C39H45N7O7S	755.3101	NA	PeJP	NA	NA
+PJ028112	GPCFFW 	C39H45N7O7S	755.3102	NA	PeJP	NA	NA
+PJ028113	GSSSSTCK 	C27H49N9O14S	755.312	NA	PeJP	NA	NA
+PJ028114	GTTEYW 	C35H45N7O12	755.3126	NA	PeJP	NA	NA
+PJ028115	GGAPEYY 	C35H45N7O12	755.3127	NA	PeJP	NA	NA
+PJ028116	STMMMR 	C28H53N9O9S3	755.3129	NA	PeJP	NA	NA
+PJ028117	AAMMFW 	C36H49N7O7S2	755.3135	NA	PeJP	NA	NA
+PJ028118	NNHWW 	C36H41N11O8	755.314	NA	PeJP	NA	NA
+C01848	Rifamycin B	C39H49NO14	755.3153	NA	KEGG	NA	NA
+MJ093223	Rifamycin L 	C39H49NO14	755.315305	NA	MeJP	NA	NA
+MetaCyc04105	rifamycin-B []	C39H49N1O14	755.315305	13929-35-6	metacyc	NA	NA
+PJ028119	GKEEMY 	C32H49N7O12S	755.316	NA	PeJP	NA	NA
+PJ028120	TFYYY 	C40H45N5O10	755.3167	NA	PeJP	NA	NA
+PJ028121	PCKMMF 	C33H53N7O7S3	755.3169	NA	PeJP	NA	NA
+PJ028122	GQMHHF 	C33H45N11O8S	755.3174	NA	PeJP	NA	NA
+PJ028123	SSSTLMM 	C29H53N7O12S2	755.3194	NA	PeJP	NA	NA
+PJ028124	SSSTTHH 	C29H45N11O13	755.3198	NA	PeJP	NA	NA
+PJ028125	GEEEHR 	C29H45N11O13	755.3199	NA	PeJP	NA	NA
+PJ028126	CLKMMM 	C30H57N7O7S4	755.3203	NA	PeJP	NA	NA
+PJ028127	TCKMHH 	C30H49N11O8S2	755.3207	NA	PeJP	NA	NA
+PJ028128	PMHWW 	C38H45N9O6S	755.3214	NA	PeJP	NA	NA
+PJ028129	GVEEHW 	C34H45N9O11	755.3239	NA	PeJP	NA	NA
+PJ028130	ASEMRY 	C31H49N9O11S	755.3272	NA	PeJP	NA	NA
+PJ028131	GTEMRY 	C31H49N9O11S	755.3273	NA	PeJP	NA	NA
+PJ028132	TTYWW 	C39H45N7O9	755.3279	NA	PeJP	NA	NA
+PJ028133	GCHHFR 	C32H45N13O7S	755.3286	NA	PeJP	NA	NA
+PJ028134	SSSSSSSK 	C27H49N9O16	755.3297	NA	PeJP	NA	NA
+MJ093224	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 2-hexanoyl, 1,9-dibenzoyl, 6-Ac 	C43H49NO11	755.330561	NA	MeJP	NA	NA
+PJ028135	SSTCCKK 	C28H53N9O11S2	755.3306	NA	PeJP	NA	NA
+PJ028136	SNNEHR 	C28H45N13O12	755.3311	NA	PeJP	NA	NA
+PJ028137	KEMYW 	C36H49N7O9S	755.3313	NA	PeJP	NA	NA
+PJ028138	STKEEY 	C32H49N7O14	755.3338	NA	PeJP	NA	NA
+PJ028139	SPKMMY 	C33H53N7O9S2	755.3346	NA	PeJP	NA	NA
+PJ028140	GGVVMMY 	C33H53N7O9S2	755.3347	NA	PeJP	NA	NA
+PJ028141	EEHRW 	C33H45N11O10	755.3351	NA	PeJP	NA	NA
+PJ028142	TTTTTTM 	C29H53N7O14S	755.3371	NA	PeJP	NA	NA
+PJ028143	SPEMHR 	C30H49N11O10S	755.3385	NA	PeJP	NA	NA
+PJ028144	VEHWW 	C38H45N9O8	755.3391	NA	PeJP	NA	NA
+PJ028145	GGGPPWW 	C38H45N9O8	755.3392	NA	PeJP	NA	NA
+PJ028146	TMRYW 	C35H49N9O8S	755.3425	NA	PeJP	NA	NA
+PJ028147	AFFWW 	C43H45N7O6	755.3432	NA	PeJP	NA	NA
+PJ028148	STTERY 	C31H49N9O13	755.345	NA	PeJP	NA	NA
+PJ028149	GVMMRY 	C32H53N9O8S2	755.3459	NA	PeJP	NA	NA
+PJ028150	GSNHRW 	C32H45N13O9	755.3464	NA	PeJP	NA	NA
+PJ028151	SSTLYW 	C36H49N7O11	755.349	NA	PeJP	NA	NA
+PJ028152	GQQMHR 	C29H49N13O9S	755.3497	NA	PeJP	NA	NA
+MJ093225	Antibiotic K 502; Antibiotic K 502-6 	C40H53NO13	755.35169	NA	MeJP	NA	NA
+MJ093226	Cosmomycin B; 3''-Deoxy 	C40H53NO13	755.35169	NA	MeJP	NA	NA
+MJ093227	Kesarirhodin A 	C40H53NO13	755.35169	NA	MeJP	NA	NA
+PJ028153	SVKEMY 	C33H53N7O11S	755.3524	NA	PeJP	NA	NA
+PJ028154	PPCHFR 	C34H49N11O7S	755.3538	NA	PeJP	NA	NA
+PJ028155	SVEEHR 	C30H49N11O12	755.3562	NA	PeJP	NA	NA
+PJ028156	VTDEHR 	C30H49N11O12	755.3563	NA	PeJP	NA	NA
+PJ028157	MMRRY 	C31H53N11O7S2	755.3571	NA	PeJP	NA	NA
+PJ028158	ATLEHW 	C35H49N9O10	755.3603	NA	PeJP	NA	NA
+PJ028159	GCQHRR 	C28H49N15O8S	755.361	NA	PeJP	NA	NA
+PJ028160	SSLMRY 	C32H53N9O10S	755.3636	NA	PeJP	NA	NA
+PJ028161	GGLLEMH 	C32H53N9O10S	755.3637	NA	PeJP	NA	NA
+PJ028162	PKYYW 	C40H49N7O8	755.3643	NA	PeJP	NA	NA
+PJ028163	SNDKHR 	C29H49N13O11	755.3675	NA	PeJP	NA	NA
+PJ028164	APKMFY 	C37H53N7O8S	755.3677	NA	PeJP	NA	NA
+PJ028165	SSSSLLY 	C33H53N7O13	755.3701	NA	PeJP	NA	NA
+PJ028166	GTTTTLY 	C33H53N7O13	755.3702	NA	PeJP	NA	NA
+PJ028167	ALKMMY 	C34H57N7O8S2	755.371	NA	PeJP	NA	NA
+PJ028168	SPPNRW 	C34H49N11O9	755.3715	NA	PeJP	NA	NA
+PJ028169	ALEMHR 	C31H53N11O9S	755.3749	NA	PeJP	NA	NA
+PJ028170	TFFRW 	C39H49N9O7	755.3755	NA	PeJP	NA	NA
+PJ028171	SSNHRR 	C28H49N15O10	755.3787	NA	PeJP	NA	NA
+PJ028172	GLLMHW 	C36H53N9O7S	755.3789	NA	PeJP	NA	NA
+PJ028173	GSSSKKY 	C32H53N9O12	755.3814	NA	PeJP	NA	NA
+PJ028174	CCKKKF 	C33H57N9O7S2	755.3823	NA	PeJP	NA	NA
+PJ028175	PTKHHH 	C33H49N13O8	755.3827	NA	PeJP	NA	NA
+PJ028176	GGVLHHH 	C33H49N13O8	755.3828	NA	PeJP	NA	NA
+7493	ACE inhibitor (from bovine beta-CN)	DKIHPF	755.3829	antioxidative	Inhouse_peptide	NA	peptide
+7895	peptide from human milk b-casein (193-198)	HQIYPV	755.383	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ028177	SPVKYY 	C37H53N7O10	755.3854	NA	PeJP	NA	NA
+PJ028178	PPCQRR 	C30H53N13O8S	755.3861	NA	PeJP	NA	NA
+PJ028179	TTLKMY 	C34H57N7O10S	755.3888	NA	PeJP	NA	NA
+PJ028180	MFFRR 	C35H53N11O6S	755.3901	NA	PeJP	NA	NA
+PJ028181	TTLEHR 	C31H53N11O11	755.3926	NA	PeJP	NA	NA
+PJ028182	GGGAPLER 	C31H53N11O11	755.3927	NA	PeJP	NA	NA
+PJ028183	GLHHHR 	C32H49N15O7	755.394	NA	PeJP	NA	NA
+PJ028184	VTTLHW 	C36H53N9O9	755.3966	NA	PeJP	NA	NA
+PJ028185	STLLHW 	C36H53N9O9	755.3967	NA	PeJP	NA	NA
+PJ028186	GCKHRR 	C29H53N15O7S	755.3974	NA	PeJP	NA	NA
+PJ028187	SCKKKY 	C33H57N9O9S	755.4	NA	PeJP	NA	NA
+PJ028188	LKFYW 	C41H53N7O7	755.4007	NA	PeJP	NA	NA
+PJ028189	APQERR 	C30H53N13O10	755.4039	NA	PeJP	NA	NA
+PJ028190	PPLLMW 	C38H57N7O7S	755.4041	NA	PeJP	NA	NA
+PJ028191	SPPTLLE 	C34H57N7O12	755.4065	NA	PeJP	NA	NA
+PJ028192	GPVLLEE 	C34H57N7O12	755.4066	NA	PeJP	NA	NA
+PJ028193	GPLQRW 	C35H53N11O8	755.4079	NA	PeJP	NA	NA
+PJ028194	SLLMHR 	C32H57N11O8S	755.4113	NA	PeJP	NA	NA
+PJ028195	GPDRRR 	C29H53N15O9	755.4151	NA	PeJP	NA	NA
+PJ028196	PLLEER 	C33H57N9O11	755.4178	NA	PeJP	NA	NA
+PJ028197	AAPRRW 	C34H53N13O7	755.4191	NA	PeJP	NA	NA
+PJ028198	PVLLEW 	C38H57N7O9	755.4218	NA	PeJP	NA	NA
+PJ028199	PPCKRR 	C31H57N13O7S	755.4225	NA	PeJP	NA	NA
+PJ028200	SPPVLLM 	C35H61N7O9S	755.4252	NA	PeJP	NA	NA
+PJ028201	PVQKER 	C32H57N11O10	755.429	NA	PeJP	NA	NA
+PJ028202	PPTKKW 	C37H57N9O8	755.433	NA	PeJP	NA	NA
+PJ028203	GGPVLKW 	C37H57N9O8	755.4331	NA	PeJP	NA	NA
+PJ028204	GPPVKKM 	C34H61N9O8S	755.4364	NA	PeJP	NA	NA
+2996	kinases inhibitor	KKALRRQEALDAL	755.43995	MH2+	Inhouse_peptide	NA	peptide
+3013	kinases inhibitor	KKALRRQEAIDAL	755.43995	MH2+	Inhouse_peptide	NA	peptide
+PJ028205	APKERR 	C31H57N13O9	755.4403	NA	PeJP	NA	NA
+PJ028206	APTLLLE 	C35H61N7O11	755.4429	NA	PeJP	NA	NA
+PJ028207	GPLKRW 	C36H57N11O7	755.4443	NA	PeJP	NA	NA
+MJ093228	Microginin SD755 	C40H61N5O9	755.446928	NA	MeJP	NA	NA
+PJ028208	PPKKMR 	C33H61N11O7S	755.4476	NA	PeJP	NA	NA
+PJ028209	APTRRR 	C30H57N15O8	755.4515	NA	PeJP	NA	NA
+PJ028210	AAPLKKE 	C34H61N9O10	755.4542	NA	PeJP	NA	NA
+MJ093229	Pohlianin A 	C39H61N7O8	755.458161	NA	MeJP	NA	NA
+PJ028211	GPPLLLF 	C39H61N7O8	755.4582	NA	PeJP	NA	NA
+PJ028212	GPLLLLM 	C36H65N7O8S	755.4616	NA	PeJP	NA	NA
+PJ028213	PVKKER 	C33H61N11O9	755.4654	NA	PeJP	NA	NA
+PJ028214	PVVKKW 	C38H61N9O7	755.4694	NA	PeJP	NA	NA
+HMDB12339	PS(14:0/20:4(5Z,8Z,11Z,14Z))	C40H70NO10P	755.473755	NA	HMDB2010	NA	NA
+HMDB12349	PS(14:1(9Z)/20:3(8Z,11Z,14Z))	C40H70NO10P	755.473755	NA	HMDB2010	NA	NA
+HMDB12370	PS(16:1(9Z)/18:3(9Z,12Z,15Z))	C40H70NO10P	755.473755	NA	HMDB2010	NA	NA
+HMDB12410	PS(18:3(9Z,12Z,15Z)/16:1(9Z))	C40H70NO10P	755.473755	NA	HMDB2010	NA	NA
+HMDB12419	PS(20:3(8Z,11Z,14Z)/14:1(9Z))	C40H70NO10P	755.473755	NA	HMDB2010	NA	NA
+HMDB12429	PS(20:4(5Z,8Z,11Z,14Z)/14:0)	C40H70NO10P	755.473755	NA	HMDB2010	NA	NA
+PJ028215	SPLKRR 	C32H61N13O8	755.4766	NA	PeJP	NA	NA
+PJ028216	GAALLRR 	C32H61N13O8	755.4767	NA	PeJP	NA	NA
+PJ028217	GVLLLLE 	C36H65N7O10	755.4793	NA	PeJP	NA	NA
+MJ093230	8,9-Didehydro-N-demethyl-9-deoxo-6,11-dideoxy-6,9-epoxy-12-O-methyl-N-(1-methylethyl)-11-oxoerythromycin 	C40H69NO12	755.481976	NA	MeJP	NA	NA
+PJ028218	GVLRRR 	C31H61N15O7	755.4879	NA	PeJP	NA	NA
+PJ028219	LLLLER 	C35H65N9O9	755.4906	NA	PeJP	NA	NA
+PJ028220	VLLLLW 	C40H65N7O7	755.4946	NA	PeJP	NA	NA
+PJ028221	LRRRR 	C30H61N17O6	755.4991	NA	PeJP	NA	NA
+PJ028222	VLLQKR 	C34H65N11O8	755.5018	NA	PeJP	NA	NA
+PJ028223	ALLKRR 	C33H65N13O7	755.513	NA	PeJP	NA	NA
+PJ028224	ATLLLLL 	C37H69N7O9	755.5157	NA	PeJP	NA	NA
+PJ028225	AALLLKK 	C36H69N9O8	755.5269	NA	PeJP	NA	NA
+PJ028226	VLLKKR 	C35H69N11O7	755.5382	NA	PeJP	NA	NA
+MJ093231	Pepstatins; Pepstatin J 	C39H73N5O9	755.540828	NA	MeJP	NA	NA
+EUR949	PC 34:3 monoisotopic mass 	C42H78NO8P	755.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR949	PC 34:3 monoisotopic mass 	C42H78NO8P	755.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR949	PC 34:3 monoisotopic mass 	C42H78NO8P	755.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR949	PC 34:3 monoisotopic mass 	C42H78NO8P	755.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07881	PC(14:0/20:3(5Z,8Z,11Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB07882	PC(14:0/20:3(8Z,11Z,14Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB07913	PC(14:1(9Z)/20:2(11Z,14Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB07974	PC(16:0/18:3(6Z,9Z,12Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB07975	PC(16:0/18:3(9Z,12Z,15Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08006	PC(16:1(9Z)/18:2(9Z,12Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08134	PC(18:2(9Z,12Z)/16:1(9Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08166	PC(18:3(6Z,9Z,12Z)/16:0)	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08199	PC(18:3(9Z,12Z,15Z)/16:0)	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08329	PC(20:2(11Z,14Z)/14:1(9Z))	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08361	PC(20:3(5Z,8Z,11Z)/14:0)	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB08394	PC(20:3(8Z,11Z,14Z)/14:0)	C42H78NO8P	755.546509	NA	HMDB2010	NA	NA
+HMDB09281	PE(20:1(11Z)/P-18:1(11Z))	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB09282	PE(20:1(11Z)/P-18:1(9Z))	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB09313	PE(20:2(11Z,14Z)/P-18:0)	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB09576	PE(22:2(13Z,16Z)/P-16:0)	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB11357	PE(P-16:0/22:2(13Z,16Z))	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB11382	PE(P-18:0/20:2(11Z,14Z))	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB11414	PE(P-18:1(11Z)/20:1(11Z))	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+HMDB11447	PE(P-18:1(9Z)/20:1(11Z))	C43H82NO7P	755.582886	NA	HMDB2010	NA	NA
+MJ093232	Asteriacerebroside A 	C43H81NO9	755.591133	NA	MeJP	NA	NA
+HMDB04973	Glucosylceramide (d18:1/20:0)	C44H85NO8	755.6275	http://www.hmdb.ca/metabolites/HMDB04973	HMDB	NA	NA
+HMDB04973	Glucosylceramide (d18:1/20:0)	C44H85NO8	755.6275	HMDB04973	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04973	Glucosylceramide (d18:1/20:0)	C44H85NO8	755.627502	NA	HMDB2010	NA	NA
+HMDB10710	Galactosylceramide (d18:1/20:0)	C44H85NO8	755.627502	NA	HMDB2010	NA	NA
+4010	LDT 2, alpha-chain	GYGGVSLPEWVCTTF	755.8565	MH2+	Inhouse_peptide	NA	peptide
+MJ093233	Syzyginin B 	C33H24O21	756.081007	NA	MeJP	NA	NA
+C04307	P1,P2-Bis(5'-adenosyl) triphosphate	C20H27N10O16P3	756.0819	NA	KEGG	NA	NA
+C04308	Phosphatidyl-N-dimethylethanolamine	C9H16NO8PR2	756.0819	NA	KEGG	NA	NA
+C06197	P1,P3-Bis(5'-adenosyl) triphosphate	C20H27N10O16P3	756.0819	NA	KEGG	NA	NA
+HMDB01155	Diadenosine triphosphate	C20H27N10O16P3	756.081909	NA	HMDB2010	NA	NA
+HMDB01155	Diadenosine triphosphate	C20H27N10O16P3	756.08191	http://www.hmdb.ca/metabolites/HMDB01155	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01155	Diadenosine triphosphate	C20H27N10O16P3	756.08191	http://www.hmdb.ca/metabolites/HMDB01155	HMDB	NA	NA
+HMDB01155	Diadenosine triphosphate	C20H27N10O16P3	756.08191	http://www.hmdb.ca/metabolites/HMDB01155	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01155	Diadenosine triphosphate	C20H27N10O16P3	756.08191	HMDB01155	PFEM_hmdb_metabocards_official	NA	NA
+MJ093234	P1,P3-Bis(5'-adenosyl) triphosphate 	C20H27N10O16P3	756.081934	NA	MeJP	NA	NA
+MetaCyc04106	adenosine(5')triphospho(5')adenosine [P1,P3-bis(5'-adenosyl)triphosphate;5'Ap3A;adenosine 5'-(tetrahydrogen triphosphate), P-5'-ester with adenosine;'']	C20H27N10O16P3	756.081934	NA	metacyc	NA	NA
+MJ093235	Verticillin D 	C32H32N6O8S4	756.116444	NA	MeJP	NA	NA
+MJ093236	2-C-Hydroxymethylribose; ?-D-Furanose-form, 4-Hydroxybenzoyl glycoside, 2',3,5-tris(3,4,5-trihydroxybenzoyl) 	C34H28O20	756.117393	NA	MeJP	NA	NA
+MJ093237	2-C-Hydroxymethylribose; ?-D-Furanose-form, 4-Hydroxybenzoyl glycoside, 2',3,5-tris(3,4,5-trihydroxybenzoyl) 	C34H28O20	756.117393	NA	MeJP	NA	NA
+MJ093238	2-(4-Hydroxyphenyl)ethanol; 1-O-[3,4,6-Tris-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C35H32O19	756.153778	NA	MeJP	NA	NA
+FL5FACGL0061	Quercetin 3-(3'',6''-di-p-coumarylglucoside)	C39H32O16	756.16903	72691-78-2	knapsack	NA	NA
+MJ093239	Isoquercitrin; 3'',6''-Bis-O-(E-4-hydroxycinnamoyl) 	C39H32O16	756.169034	NA	MeJP	NA	NA
+PJ028227	PCCCCND 	C25H40N8O11S4	756.17	NA	PeJP	NA	NA
+PJ028228	CCCCYY 	C30H40N6O9S4	756.174	NA	PeJP	NA	NA
+PJ028229	GCCNDDM 	C25H40N8O13S3	756.1877	NA	PeJP	NA	NA
+FL3FAADS0043	Isovitexin 7-O-(6'''-caffeoyl)-beta-D-glucopyranoside	C36H36O18	756.19016	165746-63-4	knapsack	NA	NA
+FL3FACCS0045	Orientin 2''-O-xyloside-6''-ferulate	C36H36O18	756.19016	124934-29-8	knapsack	NA	NA
+FL5FAAGL0086	Kaempferol 3-(6''-p-coumarylglucoside)-7-glucoside	C36H36O18	756.19016	149035-81-4	knapsack	NA	NA
+FL5FAAGL0087	Kaempferol 3-glucoside-7-p-coumarylglucoside	C36H36O18	756.19016	80699-44-1	knapsack	NA	NA
+FL5FAAGL0089	Kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside	C36H36O18	756.19016	128700-30-1	knapsack	NA	NA
+FL5FAAGL0091	Kaempferol 3-(6''-p-coumarylglucoside)-4'-glucoside	C36H36O18	756.19016	87339-51-3	knapsack	NA	NA
+FL5FAAGS0116	Kaempferol 3-(6''-caffeoylglucosyl)-(1->4)-rhamnoside	C36H36O18	756.19016	-	knapsack	NA	NA
+FL5FACGA0038	Variabiloside E	C36H36O18	756.19016	115713-35-4	knapsack	NA	NA
+FL5FACGA0039	Variabiloside F	C36H36O18	756.19016	115794-35-9	knapsack	NA	NA
+FL5FACGS0054	Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside	C36H36O18	756.19016	107190-71-6<BR>143061-65-8	knapsack	NA	NA
+FL5FACGS0102	Quercetin 3-(2G-(E)-p-coumaroylrutinoside);3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C36H36O18	756.19016	194292-73-4	knapsack	NA	NA
+MJ093240	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-galactopyranoside] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093241	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-galactopyranoside] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093242	Astragalin; 2''-O-(3,4-Dihydroxycinnamoyl), 7-O-?-L-rhamnopyranoside 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093243	Astragalin; 6''-O-(4-Hydroxycinnamoyl), 4'-O-?-D-glucopyranoside 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093244	Astragalin; 6''-O-(4-Hydroxycinnamoyl), 7-O-?-D-glucopyranoside 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093245	Astragalin; 7-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093246	Isoorientin; 2''-O-(4-Hydroxycinnamoyl), 4'-O-?-D-glucopyranoside 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093247	Isoorientin; 2''-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093248	Isovitexin; 2''-O-?-D-Glucopyranosyl, O-(3,4-Dihydroxycinnamoyl) 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093249	Isovitexin; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093250	Populnin; 3-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranoside] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093251	Quercitrin; 2''-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093252	?-Rhamnoisorobin; 2''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl](E-) 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093253	?-Rhamnoisorobin; 4''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl](E-) 	C36H36O18	756.190164	NA	MeJP	NA	NA
+MJ093254	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside, 5-O-[4-hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C36H37O18(+)	756.190164	NA	MeJP	NA	NA
+MJ093255	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-[6-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside](E-) 	C36H37O18(+)	756.190164	NA	MeJP	NA	NA
+MJ093256	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C36H37O18(+)	756.190164	NA	MeJP	NA	NA
+MJ093257	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?2)-?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C36H37O18(+)	756.190164	NA	MeJP	NA	NA
+MJ093258	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C36H37O18(+)	756.190164	NA	MeJP	NA	NA
+MJ093259	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C36H37O18(+)	756.190164	NA	MeJP	NA	NA
+PJ028230	SCCCNNN 	C24H40N10O12S3	756.199	NA	PeJP	NA	NA
+PJ028231	CCCNEW 	C29H40N8O10S3	756.203	NA	PeJP	NA	NA
+PJ028232	SSCCNDE 	C25H40N8O15S2	756.2055	NA	PeJP	NA	NA
+PJ028233	SPCCCNM 	C26H44N8O10S4	756.2063	NA	PeJP	NA	NA
+PJ028234	GGSPCCCM 	C26H44N8O10S4	756.2064	NA	PeJP	NA	NA
+PJ028235	DDDDDY 	C29H36N6O18	756.2086	NA	PeJP	NA	NA
+FL3FAACS0037	Marginatoside	C33H40O20	756.21129	66761-06-6	knapsack	NA	NA
+FL3FAACS0061	Polygonatiin;Vitexin 2''-O-sophoroside	C33H40O20	756.21129	61360-93-8	knapsack	NA	NA
+FL3FAACS0062	Vicenin-2,6''-O-glucoside	C33H40O20	756.21129	94530-40-2	knapsack	NA	NA
+FL3FAADS0016	Isovitexin 7-O-galactoside-2''-O-glucoside	C33H40O20	756.21129	72021-35-3	knapsack	NA	NA
+FL3FAADS0017	Isovitexin 7,2''-di-O-glucoside	C33H40O20	756.21129	83213-36-9	knapsack	NA	NA
+FL3FAADS0030	Isovitexin 4',2''-di-O-glucoside	C33H40O20	756.21129	63316-27-8	knapsack	NA	NA
+FL3FAADS0032	Isovitexin 7,2''-Di-O-galactoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL3FAAGS0059	Apigenin 7-sophorotrioside;5,7,4'-Trihydroxyflavone 7-sophorotrioside;7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	205326-78-9	knapsack	NA	NA
+FL3FAAGS0061	Apigenin 7-cellobioside-4'-glucoside;5,7,4'-Trihydroxyflavone  7-cellobioside-4'-glucoside;7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one	C33H40O20	756.21129	211096-98-9	knapsack	NA	NA
+FL3FACDS0010	Orientin 4'-O-glucoside-2''-O-rhamnoside	C33H40O20	756.21129	87454-41-9	knapsack	NA	NA
+FL3FACDS0013	Wyomin	C33H40O20	756.21129	35450-87-4	knapsack	NA	NA
+FL3FACDS0014	Isoorientin 3'-O-neohesperidoside	C33H40O20	756.21129	102148-99-2	knapsack	NA	NA
+FL3FACDS0023	Lucenin-2,7-O-rhamnoside	C33H40O20	756.21129	29432-27-7	knapsack	NA	NA
+FL3FACGS0043	Luteolin 7-rutinoside-3'-glucoside	C33H40O20	756.21129	118024-86-5	knapsack	NA	NA
+FL3FACGS0044	Luteolin 7-rutinoside-4'-glucoside	C33H40O20	756.21129	20056-21-7	knapsack	NA	NA
+FL3FACGS0045	Luteolin 7-neohesperidoside-4'-glucoside	C33H40O20	756.21129	70404-41-0	knapsack	NA	NA
+FL3FACGS0046	Luteolin 7-glucoside-4'-neohesperidoside	C33H40O20	756.21129	70404-42-1	knapsack	NA	NA
+FL5FAAGA0013	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside	C33H40O20	756.21129	134953-94-9	knapsack	NA	NA
+FL5FAAGA0017	Kaempferol 3-glucosyl-(1->2)[rhamnosyl-(1->6)-galactoside]	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FAAGA0021	Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-glucoside	C33H40O20	756.21129	128988-58-9	knapsack	NA	NA
+FL5FAAGA0023	Kaempferol 3-robinobioside-7-glucoside	C33H40O20	756.21129	114924-89-9<BR>142631-38-7	knapsack	NA	NA
+FL5FAAGL0023	Kaempferol 3-(3Rha-glucosylrutinoside)	C33H40O20	756.21129	136449-09-7	knapsack	NA	NA
+FL5FAAGL0026	Kaempferol 3-(3G-glucosylneohesperidoside);Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	28140-19-4	knapsack	NA	NA
+FL5FAAGL0029	Camelliaside A	C33H40O20	756.21129	135095-52-2	knapsack	NA	NA
+FL5FAAGL0030	Kaempferol 3-(2G-glucosylrutinoside);Kaempferol 3-(6'''-rhamnosyl-2'''-glucosyl-glucoside)	C33H40O20	756.21129	55696-58-7	knapsack	NA	NA
+FL5FAAGL0031	Kaempferol 3-(2G-rhamnosylgentiobioside)	C33H40O20	756.21129	55780-30-8	knapsack	NA	NA
+FL5FAAGL0036	Kaempferol 3-sophoroside-7-rhamnoside	C33H40O20	756.21129	93098-79-4	knapsack	NA	NA
+FL5FAAGL0038	Kaempferol 3-laminaribioside-7-rhamnoside	C33H40O20	756.21129	75848-04-3	knapsack	NA	NA
+FL5FAAGL0040	Kaempferol 3-gentiobioside-7-rhamnoside;Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside;7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	173740-43-7	knapsack	NA	NA
+FL5FAAGL0042	Kaempferol 3-neohesperidoside-7-glucoside	C33H40O20	756.21129	78527-48-7	knapsack	NA	NA
+FL5FAAGL0044	Kaempferol 3-rutinoside-7-galactoside	C33H40O20	756.21129	33906-91-1	knapsack	NA	NA
+FL5FAAGL0045	Kaempferol 3-rutinoside-7-glucoside	C33H40O20	756.21129	34336-18-0	knapsack	NA	NA
+FL5FAAGL0050	Kaempferol 3-rutinoside-4'-glucoside	C33H40O20	756.21129	89439-58-7	knapsack	NA	NA
+FL5FAAGS0080	Kaempferol 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	420113-08-2	knapsack	NA	NA
+FL5FAAGS0081	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside;3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	211947-58-9	knapsack	NA	NA
+FL5FAAGS0082	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	188825-70-9	knapsack	NA	NA
+FL5FAAGS0084	Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->4)-glucoside]	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FAAGS0085	Kaempferol 3-glucosyl-(1->2)-[glucosyl-(1->3)-rhamnoside];3-[(O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-6-deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	245036-86-6	knapsack	NA	NA
+FL5FAAGS0093	Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-glucoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O20	756.21129	245036-41-3	knapsack	NA	NA
+FL5FAAGS0094	Kaempferol 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O20	756.21129	189883-00-9	knapsack	NA	NA
+FL5FAAGS0096	Kaempferol 3-rhamnoside-7,4'-digalactoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FACGA0016	Quercetin 3-rhamninoside	C33H40O20	756.21129	83170-32-5<BR>136667-80-6	knapsack	NA	NA
+FL5FACGA0017	Quercetin 3-isorhamninoside	C33H40O20	756.21129	128308-95-2	knapsack	NA	NA
+FL5FACGA0020	Quercetin 3-(2Gal-rhamnosyl-robinobioside)	C33H40O20	756.21129	124151-38-8	knapsack	NA	NA
+FL5FACGA0023	Quercetin 3-robinobioside-7-rhamnoside	C33H40O20	756.21129	81970-00-5	knapsack	NA	NA
+FL5FACGL0023	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside	C33H40O20	756.21129	32453-37-5	knapsack	NA	NA
+FL5FACGL0024	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FACGL0030	Manghaslin	C33H40O20	756.21129	55696-57-6	knapsack	NA	NA
+FL5FACGL0039	Quercetin 3-neohesperidoside-7-rhamnoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C33H40O20	756.21129	161993-01-7	knapsack	NA	NA
+FL5FACGL0042	Quercetin 3-rutinoside-7-rhamnoside	C33H40O20	756.21129	57528-70-8	knapsack	NA	NA
+FL5FACGS0043	Quercetin 3-glucosyl-(1->2)-rhamnoside-7-rhamnoside	C33H40O20	756.21129	138989-37-4	knapsack	NA	NA
+FL5FACGS0060	Quercetin 3-O-[6''-O-rhamnosyl)glucoside] 7-O-rhamnoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FACGS0080	Quercetin 3-rhamnosyl-(1->4)-rhamnoside-7-galactoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FADGA0011	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FADGL0020	Isorhamnetin 3-(2G-apiosylrutinoside)	C33H40O20	756.21129	165605-18-5	knapsack	NA	NA
+FL5FADGL0023	Isorhamnetin 3-apiosyl-(1->6)-glucoside-7-rhamnoside	C33H40O20	756.21129	115330-91-1	knapsack	NA	NA
+FL5FADGS0023	Isorhamnetin 3-xylosyl-(1->3)-rhamnosyl-(1->6)-glucoside;Quercetin 3'-methyl ether 3-xylosyl-(1->3)-rhamnosyl-(1->6)-glucoside	C33H40O20	756.21129	-	knapsack	NA	NA
+FL5FADGS0025	Isorhamnetin 3-xylosyl-(1->2)-glucoside-7-rhamnoside;Quercetin 3'-methyl ether 3-xylosyl-(1->2)-glucoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one	C33H40O20	756.21129	142059-78-7	knapsack	NA	NA
+FL5FCAGL0006	Rhamnocitrin 3-apiosyl-(1->2)-glucoside-4'-glucoside	C33H40O20	756.21129	142473-99-2	knapsack	NA	NA
+FL5FCDGS0004	Retamatrioside;Rhamnazin 3-glucosyl-(1->5)-[apiosyl-(1->2)-alpha-L-arabinofuranoside];Quercetin 7,3'-dimethyl ether 3-glucosyl-(1->5)-[apiosyl-(1->2)-alpha-L-arabinofuranoside];3-[[O-D-apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->5)]-alpha-L-arabinofuranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C33H40O20	756.21129	259140-40-4	knapsack	NA	NA
+MJ093260	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093261	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093262	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 3'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093263	3',4',5,7-Tetrahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093264	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093265	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[Xylosyl-(1??)-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside]] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093266	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093267	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093268	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-galactopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093269	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?5)]-?-L-arabinofuranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093270	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Apiofuranosyl, 6''-O-?-L-rhamnopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093271	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Xylopyranosyl, 7-O-?-L-rhamnopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093272	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Apiofuranosyl, 7-O-?-L-rhamnopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093273	4',5,7-Trihydroxyflavone; 7-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093274	4',5,7-Trihydroxyisoflavone; 7-(Diglucorhamnoside) 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093275	Afzelin; 2'',3''-Di-O-?-D-glucopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093276	Astragalin; 2''-O-?-D-Galactopyranosyl, 6''-O-?-L-rhamnopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093277	Astragalin; 2''-O-?-D-Glucopyranosyl, 6''-O-?-L-rhamnopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093278	Astragalin; 2''-O-?-L-Rhamnopyranosyl, 3''-O-?-D-glucopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093279	Astragalin; 2''-O-?-L-Rhamnopyranosyl, 7-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093280	Astragalin; 3''-O-?-D-Glucopyranosyl, 7-O-?-L-rhamnopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093281	Astragalin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093282	Cosmosiin; 2''-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093283	Cosmosiin; 4''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093284	Hyperin; 2'',6''-Di-O-?-L-rhamnopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093285	Hyperin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093286	Hyperin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093287	Isoorientin; 3'-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093288	Isoorientin; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093289	Isoquercitrin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093290	Isovitexin; 2''-O-?-D-Galactopyranosyl, 7-O-?-D-galactopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093291	Isovitexin; 2''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093292	Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-galactopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093293	Isovitexin; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093294	Isovitexin; 4',7-Di-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093295	Isovitexin; O''-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093296	Lucenin 2; 7-O-?-L-Rhamnopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093297	Orientin; 2''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093298	Orientin; 2''-O-?-L-Rhamnopyranosyl, 4'-O-?-D-glucopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093299	Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093300	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093301	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093302	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093303	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093304	Quercitrin; 2''-O-?-D-Glucopyranosyl, 7-O-?-L-rhamnopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093305	Rutin; 2'''-O-?-L-Rhamnopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093306	Rutin; 2''-O-?-L-Rhamnopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093307	Rutin; 7-O-?-L-Rhamnopyranoside 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093308	Trifolin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093309	Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093310	Trifolin; O''-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093311	Vicenin 2; 6''-O-?-D-Glucopyranosyl 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093312	Vincetoxicoside B; 3-O-[?-L-Rhamnofuranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093313	Vincetoxicoside B; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093314	Vincetoxicoside B; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093315	Vitexin; 2''-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093316	Vitexin; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093317	?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093318	?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O20	756.211293	NA	MeJP	NA	NA
+MJ093319	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-L-rhamnopyranoside 	C33H41O20(+)	756.211293	NA	MeJP	NA	NA
+MJ093320	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C33H41O20(+)	756.211293	NA	MeJP	NA	NA
+MJ093321	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C33H41O20(+)	756.211293	NA	MeJP	NA	NA
+MJ093322	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] 	C33H41O20(+)	756.211293	NA	MeJP	NA	NA
+MetaCyc04107	kaempferol-3-O-gentiobioside-7-O-rhamnoside [kaempferol-3-O-[glucopyranosyl(1-6)glucopyranoside]-7-O-rhamnopyranoside;]	C33H40O20	756.211294	NA	metacyc	NA	NA
+PJ028236	DDDMMM 	C27H44N6O13S3	756.2129	NA	PeJP	NA	NA
+PJ028237	GCCCWW 	C33H40N8O7S3	756.2182	NA	PeJP	NA	NA
+MJ093323	Esperamicin X 	C36H40N2O14S	756.220024	NA	MeJP	NA	NA
+MJ093324	4,4'-[2-[2-(3,4-Dihydroxyphenyl)ethenyl]-4,6-dihydroxy-1,3-phenylene]bis[3,4-dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,7-diol] 	C44H36O12	756.220676	NA	MeJP	NA	NA
+PJ028238	GSSCCDW 	C29H40N8O12S2	756.2207	NA	PeJP	NA	NA
+PJ028239	GSSSSCDD 	C25H40N8O17S	756.2232	NA	PeJP	NA	NA
+PJ028240	GSCNDMM 	C26H44N8O12S3	756.2241	NA	PeJP	NA	NA
+PJ028241	DDDDMF 	C30H40N6O15S	756.2273	NA	PeJP	NA	NA
+PJ028242	CDDMHH 	C28H40N10O11S2	756.232	NA	PeJP	NA	NA
+PJ028243	GSCCCER 	C25H44N10O11S3	756.2353	NA	PeJP	NA	NA
+PJ028244	CNNDEY 	C29H40N8O14S	756.2385	NA	PeJP	NA	NA
+PJ028245	SCCQMW 	C30H44N8O9S3	756.2394	NA	PeJP	NA	NA
+PJ028246	SSSCNEM 	C26H44N8O14S2	756.2419	NA	PeJP	NA	NA
+PJ028247	CNQMMM 	C27H48N8O9S4	756.2427	NA	PeJP	NA	NA
+PJ028248	GGGACMMM 	C27H48N8O9S4	756.2428	NA	PeJP	NA	NA
+PJ028249	GSCCNHH 	C27H40N12O10S2	756.2432	NA	PeJP	NA	NA
+PJ028250	SDDEEY 	C30H40N6O17	756.245	NA	PeJP	NA	NA
+PJ028251	PCDEMY 	C31H44N6O12S2	756.2459	NA	PeJP	NA	NA
+FL2FAEGS0006	5,7,3'-Trihydroxy-4'-methoxyflavanone 7-(2,6-dirhamnosylglucoside)	C34H44O19	756.24767	97218-30-9	knapsack	NA	NA
+FL2FBAGS0003	7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside	C34H44O19	756.24767	203193-15-1	knapsack	NA	NA
+MJ093325	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093326	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093327	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093328	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093329	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Arabinopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093330	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3-hydroxy-4-O-?-D-xylopyranosyloxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093331	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?2)]-[3,4-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093332	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?6)][3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093333	3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093334	4',5,7-Trihydroxyflavanone, 5-Me ether, 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093335	Calceolarioside E; 2-O-?-L-Rhamnopyranosyl 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093336	Ehrenoside 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093337	Forsythoside B 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093338	Forsythoside F 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093339	Pedicularioside A 	C34H44O19	756.247679	NA	MeJP	NA	NA
+MJ093340	Teucrioside 	C34H44O19	756.247679	NA	MeJP	NA	NA
+C10479	Myricoside	C34H44O19	756.2477	NA	KEGG	NA	NA
+PJ028252	SEEMMM 	C28H48N6O12S3	756.2493	NA	PeJP	NA	NA
+PJ028253	GPCNDDH 	C28H40N10O13S	756.2497	NA	PeJP	NA	NA
+PJ028254	GGGPCDDH 	C28H40N10O13S	756.2498	NA	PeJP	NA	NA
+PJ028255	SCCCRW 	C29H44N10O8S3	756.2506	NA	PeJP	NA	NA
+PJ028256	SSSCCDR 	C25H44N10O13S2	756.2531	NA	PeJP	NA	NA
+PJ028257	GCNDYW 	C33H40N8O11S	756.2538	NA	PeJP	NA	NA
+PJ028258	CCNMMR 	C26H48N10O8S4	756.254	NA	PeJP	NA	NA
+PJ028259	GSSNDDY 	C29H40N8O16	756.2563	NA	PeJP	NA	NA
+MJ093341	Sorocein C 	C45H40O11	756.257062	NA	MeJP	NA	NA
+PJ028260	GSSSCMW 	C30H44N8O11S2	756.2571	NA	PeJP	NA	NA
+PJ028261	GSSSSSDM 	C26H44N8O16S	756.2596	NA	PeJP	NA	NA
+PJ028262	GSSNMMM 	C27H48N8O11S3	756.2605	NA	PeJP	NA	NA
+MJ093342	Scoloposide E 	C38H44O16	756.262935	NA	MeJP	NA	NA
+PJ028263	VCDEEY 	C31H44N6O14S	756.2636	NA	PeJP	NA	NA
+PJ028264	GEEEMY 	C31H44N6O14S	756.2637	NA	PeJP	NA	NA
+PJ028265	PCEMMF 	C32H48N6O9S3	756.2645	NA	PeJP	NA	NA
+PJ028266	NNDEEH 	C28H40N10O15	756.2675	NA	PeJP	NA	NA
+PJ028267	VDMMMM 	C29H52N6O9S4	756.2679	NA	PeJP	NA	NA
+PJ028268	CCNDFR 	C29H44N10O10S2	756.2684	NA	PeJP	NA	NA
+PJ028269	GSTCCMR 	C26H48N10O10S3	756.2717	NA	PeJP	NA	NA
+PJ028270	GCNMFW 	C34H44N8O8S2	756.2724	NA	PeJP	NA	NA
+PJ028271	SSSSTCW 	C30H44N8O13S	756.2749	NA	PeJP	NA	NA
+PJ028272	SCCKMW 	C31H48N8O8S3	756.2758	NA	PeJP	NA	NA
+PJ028273	SSSSSSSE 	C26H44N8O18	756.2774	NA	PeJP	NA	NA
+MJ093343	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 1,2,8-Tribenzoyl, 6,9,14-tri-Ac 	C42H44O13	756.278191	NA	MeJP	NA	NA
+MJ093344	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, Tribenzoyl, tri-Ac 	C42H44O13	756.278191	NA	MeJP	NA	NA
+PJ028274	SSSSQMM 	C27H48N8O13S2	756.2782	NA	PeJP	NA	NA
+PJ028275	GGSSSTMM 	C27H48N8O13S2	756.2783	NA	PeJP	NA	NA
+PJ028276	GSNNNDH 	C27H40N12O14	756.2787	NA	PeJP	NA	NA
+PJ028277	GGGGGGGSDH 	C27H40N12O14	756.2788	NA	PeJP	NA	NA
+PJ028278	EEMYW 	C35H44N6O11S	756.2789	NA	PeJP	NA	NA
+PJ028279	CNKMMM 	C28H52N8O8S4	756.2791	NA	PeJP	NA	NA
+PJ028280	STEEEY 	C31H44N6O16	756.2814	NA	PeJP	NA	NA
+PJ028281	SPEMMY 	C32H48N6O11S2	756.2823	NA	PeJP	NA	NA
+PJ028282	GNDEHW 	C32H40N10O12	756.2828	NA	PeJP	NA	NA
+PJ028283	SCNDRY 	C29H44N10O12S	756.2861	NA	PeJP	NA	NA
+PJ028284	AMMMHH 	C30H48N10O7S3	756.287	NA	PeJP	NA	NA
+PJ028285	SCHHHH 	C30H40N14O8S	756.2875	NA	PeJP	NA	NA
+PJ028286	SSSSCMR 	C26H48N10O12S2	756.2895	NA	PeJP	NA	NA
+PJ028287	GSNMYW 	C34H44N8O10S	756.2901	NA	PeJP	NA	NA
+PJ028288	GGGGPCFY 	C34H44N8O10S	756.2902	NA	PeJP	NA	NA
+PJ028289	GSSSQEY 	C30H44N8O15	756.2926	NA	PeJP	NA	NA
+PJ028290	LDDEEH 	C30H44N8O15	756.2927	NA	PeJP	NA	NA
+PJ028291	GQQMMY 	C31H48N8O10S2	756.2935	NA	PeJP	NA	NA
+PJ028292	PDDHHH 	C31H40N12O11	756.294	NA	PeJP	NA	NA
+PJ028293	GSSSSTTM 	C27H48N8O15S	756.296	NA	PeJP	NA	NA
+PJ028294	GPEEYY 	C35H44N6O13	756.2967	NA	PeJP	NA	NA
+PJ028295	GSTCKMM 	C28H52N8O10S3	756.2969	NA	PeJP	NA	NA
+PJ028296	NNNQMH 	C28H44N12O11S	756.2973	NA	PeJP	NA	NA
+PJ028297	GGNNQMH 	C28H44N12O11S	756.2974	NA	PeJP	NA	NA
+PJ028298	PPCMFY 	C36H48N6O8S2	756.2975	NA	PeJP	NA	NA
+PJ028299	NDHWW 	C36H40N10O9	756.298	NA	PeJP	NA	NA
+PJ028300	SVEEMY 	C32H48N6O13S	756.3	NA	PeJP	NA	NA
+PJ028301	PCLMMY 	C33H52N6O8S3	756.3009	NA	PeJP	NA	NA
+PJ028302	SPCQHW 	C33H44N10O9S	756.3014	NA	PeJP	NA	NA
+PJ028303	SQQEEH 	C29H44N10O14	756.3039	NA	PeJP	NA	NA
+PJ028304	TLMMMM 	C30H56N6O8S4	756.3043	NA	PeJP	NA	NA
+PJ028305	GCQMRY 	C30H48N10O9S2	756.3047	NA	PeJP	NA	NA
+PJ028306	GGACMRY 	C30H48N10O9S2	756.3048	NA	PeJP	NA	NA
+PJ028307	GCHFFF 	C38H44N8O7S	756.3054	NA	PeJP	NA	NA
+PJ028308	SSSQYW 	C34H44N8O12	756.3079	NA	PeJP	NA	NA
+PJ028309	CNNNHR 	C27H44N14O10S	756.3086	NA	PeJP	NA	NA
+PJ028310	ACCKFW 	C35H48N8O7S2	756.3088	NA	PeJP	NA	NA
+PJ028311	SNDKMY 	C31H48N8O12S	756.3113	NA	PeJP	NA	NA
+PJ028312	PEYYW 	C39H44N6O10	756.3119	NA	PeJP	NA	NA
+PJ028313	SSSSSTTT 	C27H48N8O17	756.3138	NA	PeJP	NA	NA
+PJ028314	SSSSKMM 	C28H52N8O12S2	756.3146	NA	PeJP	NA	NA
+PJ028315	SNDEHR 	C28H44N12O13	756.3151	NA	PeJP	NA	NA
+PJ028316	GGGGGGGGGGAP 	C28H44N12O13	756.3152	NA	PeJP	NA	NA
+PJ028317	SPPMYY 	C36H48N6O10S	756.3153	NA	PeJP	NA	NA
+PJ028318	GCCRRY 	C29H48N12O8S2	756.316	NA	PeJP	NA	NA
+PJ028319	MHHFW 	C37H44N10O6S	756.3166	NA	PeJP	NA	NA
+PJ028320	ALEMMY 	C33H52N6O10S2	756.3187	NA	PeJP	NA	NA
+PJ028321	GTQEHW 	C33H44N10O11	756.3191	NA	PeJP	NA	NA
+PJ028322	GGGGPEHF 	C33H44N10O11	756.3192	NA	PeJP	NA	NA
+PJ028323	SSNMRY 	C30H48N10O11S	756.3225	NA	PeJP	NA	NA
+PJ028324	NQFYW 	C38H44N8O9	756.3231	NA	PeJP	NA	NA
+PJ028325	GPPDWW 	C38H44N8O9	756.3232	NA	PeJP	NA	NA
+PJ028326	GTCKYW 	C35H48N8O9S	756.3265	NA	PeJP	NA	NA
+PJ028327	GSSSKEY 	C31H48N8O14	756.329	NA	PeJP	NA	NA
+PJ028328	GQKMMY 	C32H52N8O9S2	756.3299	NA	PeJP	NA	NA
+PJ028329	GSDHRW 	C32H44N12O10	756.3304	NA	PeJP	NA	NA
+PJ028330	PPCFFF 	C40H48N6O7S	756.3306	NA	PeJP	NA	NA
+PJ028331	SPVEYY 	C36H48N6O12	756.333	NA	PeJP	NA	NA
+PJ028332	GLEEFY 	C36H48N6O12	756.3331	NA	PeJP	NA	NA
+PJ028333	GQEMHR 	C29H48N12O10S	756.3337	NA	PeJP	NA	NA
+PJ028334	GGAEMHR 	C29H48N12O10S	756.3338	NA	PeJP	NA	NA
+PJ028335	PCLMFF 	C37H52N6O7S2	756.3339	NA	PeJP	NA	NA
+PJ028336	TQHWW 	C37H44N10O8	756.3344	NA	PeJP	NA	NA
+MJ093345	11,12-Dihydroxyhavanensin-28-oic acid, 12-Tigloyl, 1,3,7,11-tetra-Ac, Me ester 	C40H52O14	756.335706	NA	MeJP	NA	NA
+MJ093346	Zaragozic acid C; 4',5'-Dihydro 	C40H52O14	756.335706	NA	MeJP	NA	NA
+PJ028337	TTLEMY 	C33H52N6O12S	756.3364	NA	PeJP	NA	NA
+PJ028338	VVMMMF 	C34H56N6O7S3	756.3373	NA	PeJP	NA	NA
+PJ028339	GVQMHW 	C34H48N10O8S	756.3378	NA	PeJP	NA	NA
+PJ028340	SSPTTQH 	C30H48N10O13	756.3402	NA	PeJP	NA	NA
+PJ028341	GSSSTRY 	C30H48N10O13	756.3403	NA	PeJP	NA	NA
+MJ093347	Michellamine 	C46H48N2O8	756.341066	NA	MeJP	NA	NA
+PJ028342	GCKMRY 	C31H52N10O8S2	756.3411	NA	PeJP	NA	NA
+PJ028343	AQQHHH 	C31H44N14O9	756.3416	NA	PeJP	NA	NA
+PJ028344	SSSKYW 	C35H48N8O11	756.3443	NA	PeJP	NA	NA
+PJ028345	GCEHRR 	C28H48N14O9S	756.345	NA	PeJP	NA	NA
+C15738	Ascidiacyclamide	C36H52N8O6S2	756.3451	NA	KEGG	NA	NA
+MJ093348	Ascidiacyclamide 	C36H52N8O6S2	756.345122	NA	MeJP	NA	NA
+3600	NA	YPFGFCQ~	756.346	ACE inhibitor	Inhouse_peptide	NA	peptide
+3636	NA	YPFGFQ~	756.346	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ028346	STQKMY 	C32H52N8O11S	756.3476	NA	PeJP	NA	NA
+PJ028347	GSSCLKY 	C32H52N8O11S	756.3477	NA	PeJP	NA	NA
+MJ093349	RA-V 	C40H48N6O9	756.348277	NA	MeJP	NA	NA
+PJ028348	LEFYW 	C40H48N6O9	756.3483	NA	PeJP	NA	NA
+PJ028349	QMHRW 	C33H48N12O7S	756.349	NA	PeJP	NA	NA
+PJ028350	STQEHR 	C29H48N12O12	756.3515	NA	PeJP	NA	NA
+PJ028351	APLMYY 	C37H52N6O9S	756.3517	NA	PeJP	NA	NA
+PJ028352	GNHHHR 	C30H44N16O8	756.3528	NA	PeJP	NA	NA
+PJ028353	GGGHHHR 	C30H44N16O8	756.3529	NA	PeJP	NA	NA
+PJ028354	SLLMMY 	C34H56N6O9S2	756.355	NA	PeJP	NA	NA
+PJ028355	SPPDRW 	C34H48N10O10	756.3555	NA	PeJP	NA	NA
+MJ093350	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] 	C37H56O16	756.356835	NA	MeJP	NA	NA
+MJ093351	Aldgamycin E; 2,3-Didehydro, 8-hydroxy 	C37H56O16	756.356835	NA	MeJP	NA	NA
+3265	alpha s1-casein (91-96)	YLGYLE	756.357	celiac toxic	Inhouse_peptide	NA	peptide
+PJ028356	STCKRY 	C31H52N10O10S	756.3589	NA	PeJP	NA	NA
+PJ028357	APPTWW 	C39H48N8O8	756.3595	NA	PeJP	NA	NA
+PJ028358	CHRRW 	C32H48N14O6S	756.3602	NA	PeJP	NA	NA
+MJ093352	Disorazole A1; 16'-Ketone 	C43H52N2O10	756.362195	NA	MeJP	NA	NA
+PJ028359	SSDHRR 	C28H48N14O11	756.3627	NA	PeJP	NA	NA
+PJ028360	PPVQMW 	C36H52N8O8S	756.3629	NA	PeJP	NA	NA
+PJ028361	GSTTTKY 	C32H52N8O13	756.3654	NA	PeJP	NA	NA
+PJ028362	GKKMMY 	C33H56N8O8S2	756.3663	NA	PeJP	NA	NA
+PJ028363	ASTHRW 	C33H48N12O9	756.3667	NA	PeJP	NA	NA
+PJ028364	GTTHRW 	C33H48N12O9	756.3668	NA	PeJP	NA	NA
+PJ028365	GLLEYY 	C37H52N6O11	756.3694	NA	PeJP	NA	NA
+PJ028366	PPCERR 	C30H52N12O9S	756.3701	NA	PeJP	NA	NA
+PJ028367	TKHWW 	C38H48N10O7	756.3708	NA	PeJP	NA	NA
+MJ093353	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 8-Benzoyl, 2,3-bis(2-methylbutanoyl), 7,9-di-Ac 	C41H56O13	756.372091	NA	MeJP	NA	NA
+PJ028368	ACLKHW 	C35H52N10O7S	756.3741	NA	PeJP	NA	NA
+PJ028369	APPMRW 	C35H52N10O7S	756.3742	NA	PeJP	NA	NA
+PJ028370	PVQEER 	C31H52N10O12	756.3766	NA	PeJP	NA	NA
+PJ028371	GGPLEER 	C31H52N10O12	756.3767	NA	PeJP	NA	NA
+PJ028372	PPNHHR 	C32H48N14O8	756.378	NA	PeJP	NA	NA
+PJ028373	PPTKEW 	C36H52N8O10	756.3807	NA	PeJP	NA	NA
+PJ028374	GTMHRR 	C29H52N14O8S	756.3814	NA	PeJP	NA	NA
+3641	NA	YPFGFK~	756.382	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ028375	STKKMY 	C33H56N8O10S	756.384	NA	PeJP	NA	NA
+PJ028376	GPPVKEM 	C33H56N8O10S	756.3841	NA	PeJP	NA	NA
+PJ028377	LLYYW 	C41H52N6O8	756.3847	NA	PeJP	NA	NA
+PJ028378	KMHRW 	C34H52N12O6S	756.3854	NA	PeJP	NA	NA
+PJ028379	APEERR 	C30H52N12O11	756.3879	NA	PeJP	NA	NA
+PJ028380	ALLMFY 	C38H56N6O8S	756.3881	NA	PeJP	NA	NA
+PJ028381	GPLERW 	C35H52N10O9	756.3919	NA	PeJP	NA	NA
+PJ028382	PPKEMR 	C32H56N10O9S	756.3953	NA	PeJP	NA	NA
+PJ028383	GPVLWW 	C40H52N8O7	756.3959	NA	PeJP	NA	NA
+PJ028384	STTHRR 	C29H52N14O10	756.3991	NA	PeJP	NA	NA
+PJ028385	PPVKMW 	C37H56N8O7S	756.3993	NA	PeJP	NA	NA
+PJ028386	AAPLKEE 	C33H56N8O12	756.4018	NA	PeJP	NA	NA
+PJ028387	LLLMMH 	C34H60N8O7S2	756.4027	NA	PeJP	NA	NA
+PJ028388	GPNKRW 	C34H52N12O8	756.4031	NA	PeJP	NA	NA
+PJ028389	GGGPKRW 	C34H52N12O8	756.4032	NA	PeJP	NA	NA
+PJ028390	SVLLYY 	C38H56N6O10	756.4058	NA	PeJP	NA	NA
+PJ028391	PPTMRR 	C31H56N12O8S	756.4065	NA	PeJP	NA	NA
+PJ028392	PLRWW 	C39H52N10O6	756.4072	NA	PeJP	NA	NA
+MJ093354	Antibiotic VM 44866; 13?,23?-Bis(2-methylpropanoyloxy) 	C42H60O12	756.408477	NA	MeJP	NA	NA
+PJ028393	PVKEER 	C32H56N10O11	756.413	NA	PeJP	NA	NA
+PJ028394	GGGPVDKK 	C32H56N10O11	756.4131	NA	PeJP	NA	NA
+PJ028395	AAHFRR 	C33H52N14O7	756.4144	NA	PeJP	NA	NA
+C15723	Nostocyclopeptide A1	C37H56N8O9	756.417	NA	KEGG	NA	NA
+PJ028396	ATKKFY 	C37H56N8O9	756.417	NA	PeJP	NA	NA
+MJ093355	Nostocyclopeptide A1 	C37H56N8O9	756.417025	NA	MeJP	NA	NA
+PJ028397	PVVKEW 	C37H56N8O9	756.4171	NA	PeJP	NA	NA
+PJ028398	APPTLKM 	C34H60N8O9S	756.4204	NA	PeJP	NA	NA
+PJ028399	ALLFFF 	C42H56N6O7	756.4211	NA	PeJP	NA	NA
+PJ028400	SPLERR 	C31H56N12O10	756.4243	NA	PeJP	NA	NA
+PJ028401	SPVLRW 	C36H56N10O8	756.4283	NA	PeJP	NA	NA
+MJ093356	1,3,16-Trihydroxycholestane-7,23-dione, 1-O-?-L-Rhamnopyranoside, 16-O-?-D-glucopyranoside 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093357	16,22,26-Trihydroxycholest-4-en-3-one, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093358	3,12,14-Trihydroxypregn-5-en-20-one, Glycoside 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093359	8(14),15-Pimaradiene-3,12-diol, 3-O-[3-O-Methyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 12-O-[3-O-methyl-?-D-quinovopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093360	Furost-20(22)-ene-1,3,26-triol, 3,26-Di-O-?-D-glucopyranoside 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093361	Spirostane-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093362	Spirostane-2,3,12-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093363	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093364	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093365	Spirostane-3,15-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093366	Spirostane-3,5,6-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C39H64O14	756.429606	NA	MeJP	NA	NA
+MJ093367	Bufotoxin 	C40H60N4O10	756.430944	NA	MeJP	NA	NA
+PJ028402	PLLQMR 	C33H60N10O8S	756.4317	NA	PeJP	NA	NA
+PJ028403	SPNKRR 	C30H56N14O9	756.4355	NA	PeJP	NA	NA
+PJ028404	GPTLLKE 	C34H60N8O11	756.4382	NA	PeJP	NA	NA
+PJ028405	GLKHFR 	C35H56N12O7	756.4395	NA	PeJP	NA	NA
+PJ028406	PVVMRR 	C32H60N12O7S	756.4429	NA	PeJP	NA	NA
+MJ093368	12-Oleanene-3,16,21,23,28-pentol, 3-O-?-D-Glucopyranoside, 16-benzoyl 	C43H64O11	756.444862	NA	MeJP	NA	NA
+MJ093369	Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro, 3-O-[4-methoxybenzoyl(?3)-2-O-acetyl-?-L-rhamnopyranoside] 	C43H64O11	756.444862	NA	MeJP	NA	NA
+MJ093370	Gambierol 	C43H64O11	756.444862	NA	MeJP	NA	NA
+PJ028407	AAQRRR 	C29H56N16O8	756.4467	NA	PeJP	NA	NA
+PJ028408	GGGVRRR 	C29H56N16O8	756.4468	NA	PeJP	NA	NA
+PJ028409	VLLQER 	C33H60N10O10	756.4494	NA	PeJP	NA	NA
+PJ028410	PTLLKW 	C38H60N8O8	756.4534	NA	PeJP	NA	NA
+PJ028411	GGVLLLW 	C38H60N8O8	756.4535	NA	PeJP	NA	NA
+PJ028412	GPVLLKM 	C35H64N8O8S	756.4568	NA	PeJP	NA	NA
+PJ028413	NRRRR 	C28H56N18O7	756.458	NA	PeJP	NA	NA
+PJ028414	ALLERR 	C32H60N12O9	756.4607	NA	PeJP	NA	NA
+PJ028415	GLLLRW 	C37H60N10O7	756.4647	NA	PeJP	NA	NA
+MJ093371	Cycloartane-3,16,24,25,29-pentol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C40H68O13	756.465992	NA	MeJP	NA	NA
+MJ093372	Cycloartane-3,16,24,25,30-pentol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C40H68O13	756.465992	NA	MeJP	NA	NA
+MJ093373	Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside] 	C40H68O13	756.465992	NA	MeJP	NA	NA
+PJ028416	PLLKMR 	C34H64N10O7S	756.468	NA	PeJP	NA	NA
+PJ028417	GLQKRR 	C31H60N14O8	756.4719	NA	PeJP	NA	NA
+PJ028418	AALLLKE 	C35H64N8O10	756.4746	NA	PeJP	NA	NA
+PJ028419	AAKRRR 	C30H60N16O7	756.4831	NA	PeJP	NA	NA
+PJ028420	VLLKER 	C34H64N10O9	756.4858	NA	PeJP	NA	NA
+PJ028421	VVLLKW 	C39H64N8O7	756.4898	NA	PeJP	NA	NA
+PJ028422	SLLLRR 	C33H64N12O8	756.497	NA	PeJP	NA	NA
+PJ028423	GLKKRR 	C32H64N14O7	756.5083	NA	PeJP	NA	NA
+PJ028424	GTLLLLK 	C36H68N8O9	756.511	NA	PeJP	NA	NA
+PJ028425	LLQKKK 	C35H68N10O8	756.5222	NA	PeJP	NA	NA
+PJ028426	VVKKKR 	C34H68N12O7	756.5334	NA	PeJP	NA	NA
+PJ028427	LLKKKK 	C36H72N10O7	756.5586	NA	PeJP	NA	NA
+MJ093374	1,2-Di-O-acylglycerols; Glycerol 2-(9Z-octadecenoate) 1-hexadecanoate, 3-O-?-D-Galactopyranoside 	C43H80O10	756.575148	NA	MeJP	NA	NA
+MetaCyc04108	1-18:1-2-16:0-monogalactosyldiacylglycerol []	C43H80O10	756.575149	NA	metacyc	NA	NA
+MJ093375	Manzamenone A; Me ester 	C47H80O7	756.590404	NA	MeJP	NA	NA
+EUR1094	SM(d18:1/20:1) monoisotopic mass 	C43H85N2O6P	756.614526	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1094	SM(d18:1/20:1) monoisotopic mass 	C43H85N2O6P	756.614526	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1094	SM(d18:1/20:1) monoisotopic mass 	C43H85N2O6P	756.614526	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1094	SM(d18:1/20:1) monoisotopic mass 	C43H85N2O6P	756.614526	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07702	DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0)	C49H88O5	756.663147	NA	HMDB2010	NA	NA
+HMDB07814	DG(24:0/22:4(7Z,10Z,13Z,16Z)/0:0)	C49H88O5	756.663147	NA	HMDB2010	NA	NA
+MJ093376	7,13-Labdadiene-15,17-diol, 15-(30-Hydroxytriacontanoyl) 	C50H92O4	756.699561	NA	MeJP	NA	NA
+MJ093377	7,13-Labdadiene-3,15-diol, 15-(30-Hydroxytriacontanoyl) 	C50H92O4	756.699561	NA	MeJP	NA	NA
+MJ093378	Araplysillin III 	C22H23Br4N3O7	756.82695	NA	MeJP	NA	NA
+7035	synthetic peptide from alpha-gliadin	QQLPQFEEIRNL	756.88695	MH2+	Inhouse_peptide	NA	peptide
+MJ093379	7-[[(2-Amino-4-thiazolyl)[[carboxy(3,4-dihydroxyphenyl)methoxy]imino]acetyl]amino]-3-[[(2-carboxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 	C28H23N9O11S3	757.067914	NA	MeJP	NA	NA
+PJ028428	SCCCCCH 	C24H39N9O9S5	757.1475	NA	PeJP	NA	NA
+PJ028429	PCCCCDD 	C25H39N7O12S4	757.154	NA	PeJP	NA	NA
+PJ028430	ACCCDDE 	C25H39N7O14S3	757.1717	NA	PeJP	NA	NA
+PJ028431	GCCDDDM 	C25H39N7O14S3	757.1718	NA	PeJP	NA	NA
+PJ028432	SCCCNND 	C24H39N9O13S3	757.183	NA	PeJP	NA	NA
+PJ028433	CCCDEW 	C29H39N7O11S3	757.187	NA	PeJP	NA	NA
+PJ028434	SSCCDDE 	C25H39N7O16S2	757.1895	NA	PeJP	NA	NA
+PJ028435	SPCCCDM 	C26H43N7O11S4	757.1904	NA	PeJP	NA	NA
+FL7AAAGA0006	Pelargonidin 3-[2''-(2'''-trans-caffeoyl-beta-D-glucopyranosyl)-beta-D-galactopyranoside]	C36H37O18	757.19798	202338-37-2	knapsack	NA	NA
+FL7AAAGL0019	Pelargonidin 3-[6-(3-glucosylcaffeyl) glucoside]	C36H37O18	757.19798	-	knapsack	NA	NA
+FL7AAAGL0028	Bisdemalonylsalvianin	C36H37O18	757.19798	128508-44-1	knapsack	NA	NA
+FL7AACGA0007	Cyanidin 3-galactoside-5-(6-p-coumarylglucoside)	C36H37O18	757.19798	151676-99-2	knapsack	NA	NA
+FL7AACGL0035	Cyanidin 3-(6''-p-coumarylsophoroside)	C36H37O18	757.19798	-	knapsack	NA	NA
+FL7AACGL0042	Cyanidin 3-(4'''-caffeylrutinoside)	C36H37O18	757.19798	68156-54-7	knapsack	NA	NA
+FL7AACGL0048	Perillanin;Cyanidin 3-(6-p-coumaroylglucoside)-5-glucoside	C36H37O18	757.19798	152885-69-3	knapsack	NA	NA
+FL7AACGL0049	Gentiocyanin C;Cyanidin 3-glucoside-5-(6-p-coumaroylglucoside)	C36H37O18	757.19798	170900-28-4	knapsack	NA	NA
+FL7AACGL0107	Cyanidin 3-(6''-(Z)-p-coumarylsophoroside)	C36H37O18	757.19798	-	knapsack	NA	NA
+MetaCyc04109	pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside []	C36H37O18	757.197989	NA	metacyc	NA	NA
+MetaCyc04110	bisdemalonylsalvianin [pelargonidin 3-O-(6-caffeoyl-&beta;-D-glucoside) 5-O-&beta;-D glucoside;]	C36H37O18	757.197989	NA	metacyc	NA	NA
+C12096	Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside	C36H37O18	757.198	NA	KEGG	NA	NA
+C12640	Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside	C36H37O18	757.198	NA	KEGG	NA	NA
+C16350	Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)	C36H37O18	757.198	NA	KEGG	NA	NA
+C16371	Pelargonidin 3-glucoside 5-caffeoylglucoside	C36H37O18	757.198	NA	KEGG	NA	NA
+PJ028436	GCCCNQM 	C25H43N9O10S4	757.2016	NA	PeJP	NA	NA
+MJ093380	Adenomycin 	C25H39N7O18S	757.207228	NA	MeJP	NA	NA
+PJ028437	GSCDDMM 	C26H43N7O13S3	757.2081	NA	PeJP	NA	NA
+PJ028438	APCCCMM 	C27H47N7O8S5	757.209	NA	PeJP	NA	NA
+PJ028439	GCCCCNR 	C24H43N11O9S4	757.2128	NA	PeJP	NA	NA
+PJ028440	GGGCCCCR 	C24H43N11O9S4	757.2129	NA	PeJP	NA	NA
+C12646	Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside	C33H41O20	757.2191	NA	KEGG	NA	NA
+FL7AAAGL0008	Pelargonidin 3-gentiotrioside	C33H41O20	757.21911	-	knapsack	NA	NA
+FL7AAAGL0012	Rubrobrassicin;Pelargonidin-3-sophoroside-5-glucoside	C33H41O20	757.21911	75093-88-8	knapsack	NA	NA
+FL7AAAGL0014	Pelargonidin 3-sophoroside-7-glucoside	C33H41O20	757.21911	86279-08-5	knapsack	NA	NA
+FL7AACGL0016	Cyanidin 3-(2G-glucosylrutinoside)	C33H41O20	757.21911	34443-62-4	knapsack	NA	NA
+FL7AACGL0019	Cyanidin 3-rutinoside-5-glucoside	C33H41O20	757.21911	62024-14-0	knapsack	NA	NA
+FL7AACGL0020	Cyanidin 3-rutinoside-3'-glucoside	C33H41O20	757.21911	-	knapsack	NA	NA
+FL7AACGL0092	Cyanidin 3-O-beta-rutinoside-7-O-beta-glucoside	C33H41O20	757.21911	-	knapsack	NA	NA
+FL7AAGGA0005	Vincanin A	C33H41O20	757.21911	68600-14-6	knapsack	NA	NA
+FL7AAHGL0024	Petunidin 3-[6-(rhamnosyl)-2-(xylosyl)glucoside]	C33H41O20	757.21911	-	knapsack	NA	NA
+MetaCyc04111	cyanidin-3-O-[D-rhamnosyl-(1,6)-D-glucoside]-5-O-D-glucoside [cyanidin-3-O-rhamnosylglucoside, 5-O-D-glucoside;]	C33H41O20	757.219119	NA	metacyc	NA	NA
+PJ028441	SSCCNNM 	C25H43N9O12S3	757.2194	NA	PeJP	NA	NA
+PJ028442	CNDDEY 	C29H39N7O15S	757.2225	NA	PeJP	NA	NA
+PJ028443	SCCEMW 	C30H43N7O10S3	757.2234	NA	PeJP	NA	NA
+PJ028444	SSSCDEM 	C26H43N7O15S2	757.2259	NA	PeJP	NA	NA
+PJ028445	SSPCCMM 	C27H47N7O10S4	757.2267	NA	PeJP	NA	NA
+PJ028446	CNEMMM 	C27H47N7O10S4	757.2268	NA	PeJP	NA	NA
+MJ093381	Storniamide D; 3',3''-Dideoxy 	C42H35N3O11	757.227158	NA	MeJP	NA	NA
+PJ028447	GSCCDHH 	C27H39N11O11S2	757.2272	NA	PeJP	NA	NA
+PJ028448	GPCDDDH 	C28H39N9O14S	757.2338	NA	PeJP	NA	NA
+PJ028449	GSSSSCCQ 	C25H43N9O14S2	757.2371	NA	PeJP	NA	NA
+PJ028450	GCDDYW 	C33H39N7O12S	757.2378	NA	PeJP	NA	NA
+PJ028451	CCDMMR 	C26H47N9O9S4	757.238	NA	PeJP	NA	NA
+PJ028452	PCCCFW 	C34H43N7O7S3	757.2386	NA	PeJP	NA	NA
+PJ028453	GSSDDDY 	C29H39N7O17	757.2403	NA	PeJP	NA	NA
+PJ028454	GSPCCEY 	C30H43N7O12S2	757.2411	NA	PeJP	NA	NA
+PJ028455	GCMMMW 	C31H47N7O7S4	757.242	NA	PeJP	NA	NA
+PJ028456	GSSDMMM 	C27H47N7O12S3	757.2445	NA	PeJP	NA	NA
+PJ028457	CCQMHH 	C28H43N11O8S3	757.2459	NA	PeJP	NA	NA
+PJ028458	NDDEEH 	C28H39N9O16	757.2515	NA	PeJP	NA	NA
+PJ028459	CNNNMY 	C29H43N9O11S2	757.2524	NA	PeJP	NA	NA
+PJ028460	SSSSSSCN 	C25H43N9O16S	757.2549	NA	PeJP	NA	NA
+PJ028461	SSCCCQK 	C26H47N9O11S3	757.2557	NA	PeJP	NA	NA
+PJ028462	GGSTCCCK 	C26H47N9O11S3	757.2558	NA	PeJP	NA	NA
+PJ028463	SPCCYW 	C34H43N7O9S2	757.2564	NA	PeJP	NA	NA
+PJ028464	CCCHHR 	C27H43N13O7S3	757.2571	NA	PeJP	NA	NA
+PJ028465	SNDEMY 	C30H43N7O14S	757.2589	NA	PeJP	NA	NA
+PJ028466	STCMMW 	C31H47N7O9S3	757.2598	NA	PeJP	NA	NA
+PJ028467	SSSSEMM 	C27H47N7O14S2	757.2623	NA	PeJP	NA	NA
+PJ028468	GSNNDDH 	C27H39N11O15	757.2627	NA	PeJP	NA	NA
+PJ028469	GGGSNDDH 	C27H39N11O15	757.2628	NA	PeJP	NA	NA
+PJ028470	SQMMMM 	C28H51N7O9S4	757.2631	NA	PeJP	NA	NA
+PJ028471	GSSCMHH 	C28H43N11O10S2	757.2636	NA	PeJP	NA	NA
+PJ028472	GDDEHW 	C32H39N9O13	757.2668	NA	PeJP	NA	NA
+PJ028473	SCDDRY 	C29H43N9O13S	757.2701	NA	PeJP	NA	NA
+PJ028474	APPCCMH 	C30H47N9O8S3	757.271	NA	PeJP	NA	NA
+MJ093382	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 3-Pyridinecarbonyl, dibenzoyl, tri-Ac 	C41H43NO13	757.27344	NA	MeJP	NA	NA
+MJ093383	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1,9-dibenzoyl, 2,6,14-tri-Ac 	C41H43NO13	757.27344	NA	MeJP	NA	NA
+PJ028475	GSSSSCCK 	C26H47N9O13S2	757.2735	NA	PeJP	NA	NA
+PJ028476	GSDMYW 	C34H43N7O11S	757.2742	NA	PeJP	NA	NA
+PJ028477	SCMMMR 	C27H51N9O8S4	757.2744	NA	PeJP	NA	NA
+PJ028478	GSSSEEY 	C30H43N7O16	757.2766	NA	PeJP	NA	NA
+PJ028479	GPPDDEE 	C30H43N7O16	757.2767	NA	PeJP	NA	NA
+PJ028480	GQEMMY 	C31H47N7O11S2	757.2775	NA	PeJP	NA	NA
+PJ028481	CFYYY 	C39H43N5O9S	757.2782	NA	PeJP	NA	NA
+PJ028482	GSTTMMM 	C28H51N7O11S3	757.2809	NA	PeJP	NA	NA
+PJ028483	SSSTCHH 	C28H43N11O12S	757.2814	NA	PeJP	NA	NA
+PJ028484	DDHWW 	C36H39N9O10	757.282	NA	PeJP	NA	NA
+PJ028485	CCKMHH 	C29H47N11O7S3	757.2822	NA	PeJP	NA	NA
+PJ028486	SPCEHW 	C33H43N9O10S	757.2854	NA	PeJP	NA	NA
+PJ028487	SSSSNNY 	C29H43N9O15	757.2879	NA	PeJP	NA	NA
+PJ028488	GCEMRY 	C30H47N9O10S2	757.2888	NA	PeJP	NA	NA
+PJ028489	TCYWW 	C38H43N7O8S	757.2894	NA	PeJP	NA	NA
+PJ028490	SSSEYW 	C34H43N7O13	757.2919	NA	PeJP	NA	NA
+PJ028491	SSCCCKK 	C27H51N9O10S3	757.2921	NA	PeJP	NA	NA
+PJ028492	CNNDHR 	C27H43N13O11S	757.2926	NA	PeJP	NA	NA
+PJ028493	QMMYW 	C35H47N7O8S2	757.2928	NA	PeJP	NA	NA
+MJ093384	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 9-(3-Pyridinecarbonyl), 2-(3-furancarbonyl), 8,14-bis(2-methylpropanoyl), 1,6-di-Ac 	C38H47NO15	757.294569	NA	MeJP	NA	NA
+PJ028494	STQEMY 	C31H47N7O13S	757.2953	NA	PeJP	NA	NA
+PJ028495	SYYYY 	C39H43N5O11	757.2959	NA	PeJP	NA	NA
+PJ028496	AQMMMF 	C32H51N7O8S3	757.2961	NA	PeJP	NA	NA
+PJ028497	GAAMMMF 	C32H51N7O8S3	757.2962	NA	PeJP	NA	NA
+PJ028498	GNNMHW 	C32H43N11O9S	757.2966	NA	PeJP	NA	NA
+MJ093385	Ashimycin A 	C27H47N7O18	757.297757	NA	MeJP	NA	NA
+PJ028499	SSTTTMM 	C28H51N7O13S2	757.2986	NA	PeJP	NA	NA
+PJ028500	SDDEHR 	C28H43N11O14	757.2991	NA	PeJP	NA	NA
+PJ028501	GGGGGGGGGPE 	C28H43N11O14	757.2992	NA	PeJP	NA	NA
+PJ028502	SKMMMM 	C29H55N7O8S4	757.2995	NA	PeJP	NA	NA
+PJ028503	PCDMHR 	C29H47N11O9S2	757.3	NA	PeJP	NA	NA
+PJ028504	GNNQYY 	C33H43N9O12	757.3031	NA	PeJP	NA	NA
+PJ028505	GTEEHW 	C33H43N9O12	757.3032	NA	PeJP	NA	NA
+PJ028506	CMRYW 	C34H47N9O7S2	757.304	NA	PeJP	NA	NA
+PJ028507	SSDMRY 	C30H47N9O12S	757.3065	NA	PeJP	NA	NA
+PJ028508	NEFYW 	C38H43N7O10	757.3072	NA	PeJP	NA	NA
+PJ028509	ACMMFR 	C31H51N9O7S3	757.3074	NA	PeJP	NA	NA
+PJ028510	PCQHHH 	C31H43N13O8S	757.3079	NA	PeJP	NA	NA
+MJ093386	Bis(gorgiacerol)amine 	C42H47NO12	757.309825	NA	MeJP	NA	NA
+PJ028511	GTTMYW 	C35H47N7O10S	757.3105	NA	PeJP	NA	NA
+PJ028512	GGAEMFF 	C35H47N7O10S	757.3106	NA	PeJP	NA	NA
+PJ028513	GSTTTEY 	C31H47N7O15	757.313	NA	PeJP	NA	NA
+PJ028514	GPPTEEE 	C31H47N7O15	757.3131	NA	PeJP	NA	NA
+PJ028515	GKEMMY 	C32H51N7O10S2	757.3139	NA	PeJP	NA	NA
+PJ028516	SSNQHW 	C32H43N11O11	757.3144	NA	PeJP	NA	NA
+PJ028517	NNDKMH 	C29H47N11O11S	757.3177	NA	PeJP	NA	NA
+PJ028518	GEEMHR 	C29H47N11O11S	757.3178	NA	PeJP	NA	NA
+PJ028519	TEHWW 	C37H43N9O9	757.3184	NA	PeJP	NA	NA
+PJ028520	GVEMHW 	C34H47N9O9S	757.3218	NA	PeJP	NA	NA
+PJ028521	GFYWW 	C42H43N7O7	757.3224	NA	PeJP	NA	NA
+PJ028522	SKEEEH 	C30H47N9O14	757.3243	NA	PeJP	NA	NA
+PJ028523	GTMMRY 	C31H51N9O9S2	757.3251	NA	PeJP	NA	NA
+PJ028524	GGCCKKY 	C31H51N9O9S2	757.3252	NA	PeJP	NA	NA
+PJ028525	AQEHHH 	C31H43N13O10	757.3256	NA	PeJP	NA	NA
+PJ028526	QMFFW 	C39H47N7O7S	757.3258	NA	PeJP	NA	NA
+PJ028527	STTTYW 	C35H47N7O12	757.3283	NA	PeJP	NA	NA
+PJ028528	SNNMHR 	C28H47N13O10S	757.329	NA	PeJP	NA	NA
+PJ028529	KMMYW 	C36H51N7O7S2	757.3292	NA	PeJP	NA	NA
+PJ028530	GNHHFF 	C36H43N11O8	757.3296	NA	PeJP	NA	NA
+PJ028531	GGGHHFF 	C36H43N11O8	757.3297	NA	PeJP	NA	NA
+3592	NA	YPFGFE~	757.33	ACE inhibitor	Inhouse_peptide	NA	peptide
+3698	NA	YPFGFAG	757.33	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ028532	STKEMY 	C32H51N7O12S	757.3317	NA	PeJP	NA	NA
+PJ028533	AKMMMF 	C33H55N7O7S3	757.3325	NA	PeJP	NA	NA
+PJ028534	EMHRW 	C33H47N11O8S	757.333	NA	PeJP	NA	NA
+PJ028535	STEEHR 	C29H47N11O13	757.3355	NA	PeJP	NA	NA
+PJ028536	SPMMHR 	C30H51N11O8S2	757.3364	NA	PeJP	NA	NA
+PJ028537	GDHHHR 	C30H43N15O9	757.3369	NA	PeJP	NA	NA
+PJ028538	VMHWW 	C38H47N9O6S	757.337	NA	PeJP	NA	NA
+PJ028539	SSLEHW 	C34H47N9O11	757.3395	NA	PeJP	NA	NA
+PJ028540	GGGGPVEW 	C34H47N9O11	757.3396	NA	PeJP	NA	NA
+PJ028541	AAHHHW 	C35H43N13O7	757.3409	NA	PeJP	NA	NA
+PJ028542	STTMRY 	C31H51N9O11S	757.3429	NA	PeJP	NA	NA
+PJ028543	VQYYW 	C39H47N7O9	757.3435	NA	PeJP	NA	NA
+PJ028544	GGLYYW 	C39H47N7O9	757.3436	NA	PeJP	NA	NA
+PJ028545	PCKHHH 	C32H47N13O7S	757.3443	NA	PeJP	NA	NA
+PJ028546	GSSSQHR 	C28H47N13O12	757.3467	NA	PeJP	NA	NA
+PJ028547	GGGSSTHR 	C28H47N13O12	757.3468	NA	PeJP	NA	NA
+PJ028548	PPVEMW 	C36H51N7O9S	757.3469	NA	PeJP	NA	NA
+PJ028549	SSSTTLY 	C32H51N7O14	757.3494	NA	PeJP	NA	NA
+PJ028550	SVKMMY 	C33H55N7O9S2	757.3503	NA	PeJP	NA	NA
+PJ028551	GPNERW 	C33H47N11O10	757.3508	NA	PeJP	NA	NA
+PJ028552	SVEMHR 	C30H51N11O10S	757.3541	NA	PeJP	NA	NA
+PJ028553	GGGSPPMR 	C30H51N11O10S	757.3542	NA	PeJP	NA	NA
+PJ028554	AAPQWW 	C38H47N9O8	757.3548	NA	PeJP	NA	NA
+PJ028555	ATLMHW 	C35H51N9O8S	757.3582	NA	PeJP	NA	NA
+MJ093387	Microginin 299A; 1-Chloro, detyrosyl 	C36H57Cl2N5O8	757.358419	NA	MeJP	NA	NA
+PJ028556	SPPTTQQ 	C31H51N9O13	757.3606	NA	PeJP	NA	NA
+PJ028557	PVEEER 	C31H51N9O13	757.3607	NA	PeJP	NA	NA
+PJ028558	VLQMMH 	C32H55N9O8S2	757.3615	NA	PeJP	NA	NA
+PJ028559	GNQHFR 	C32H47N13O9	757.362	NA	PeJP	NA	NA
+PJ028560	KMFFW 	C40H51N7O6S	757.3622	NA	PeJP	NA	NA
+PJ028561	PVVEEW 	C36H51N7O11	757.3647	NA	PeJP	NA	NA
+PJ028562	SCQKHR 	C29H51N13O9S	757.3654	NA	PeJP	NA	NA
+PJ028563	PNRWW 	C37H47N11O7	757.366	NA	PeJP	NA	NA
+MJ093388	Wedeloside 	C40H55NO13	757.36734	NA	MeJP	NA	NA
+PJ028564	APPTLEM 	C33H55N7O11S	757.3681	NA	PeJP	NA	NA
+PJ028565	GCKKHW 	C34H51N11O7S	757.3694	NA	PeJP	NA	NA
+PJ028566	PNDKER 	C30H51N11O12	757.3719	NA	PeJP	NA	NA
+PJ028567	ALMMHR 	C31H55N11O7S2	757.3728	NA	PeJP	NA	NA
+PJ028568	ATHHHR 	C31H47N15O8	757.3732	NA	PeJP	NA	NA
+PJ028569	TTTLHW 	C35H51N9O10	757.3759	NA	PeJP	NA	NA
+PJ028570	TLKEMH 	C32H55N9O10S	757.3793	NA	PeJP	NA	NA
+PJ028571	VKYYW 	C40H51N7O8	757.3799	NA	PeJP	NA	NA
+PJ028572	GGALFFF 	C40H51N7O8	757.38	NA	PeJP	NA	NA
+PJ028573	SPNERR 	C29H51N13O11	757.3831	NA	PeJP	NA	NA
+PJ028574	GGGGGGLQR 	C29H51N13O11	757.3832	NA	PeJP	NA	NA
+PJ028575	GLKMFY 	C37H55N7O8S	757.3833	NA	PeJP	NA	NA
+PJ028576	GPTLLEE 	C33H55N7O13	757.3858	NA	PeJP	NA	NA
+PJ028577	GPPLLMM 	C34H59N7O8S2	757.3867	NA	PeJP	NA	NA
+PJ028578	APTQRW 	C34H51N11O9	757.3871	NA	PeJP	NA	NA
+PJ028579	GPDKRW 	C34H51N11O9	757.3872	NA	PeJP	NA	NA
+MJ093389	Deltamycin A1; 4''-De-Ac 	C37H59NO15	757.38847	NA	MeJP	NA	NA
+PJ028580	TTLMHR 	C31H55N11O9S	757.3905	NA	PeJP	NA	NA
+PJ028581	AAPKWW 	C39H51N9O7	757.3912	NA	PeJP	NA	NA
+PJ028582	GNQQRR 	C28H51N15O10	757.3944	NA	PeJP	NA	NA
+PJ028583	PPCKKW 	C36H55N9O7S	757.3946	NA	PeJP	NA	NA
+PJ028584	SSTTLLH 	C32H55N9O12	757.397	NA	PeJP	NA	NA
+PJ028585	PQKKEE 	C32H55N9O12	757.3971	NA	PeJP	NA	NA
+PJ028586	VLKMMH 	C33H59N9O7S2	757.3979	NA	PeJP	NA	NA
+PJ028587	GSPRRW 	C33H51N13O8	757.3984	NA	PeJP	NA	NA
+PJ028588	PTLLEW 	C37H55N7O10	757.4011	NA	PeJP	NA	NA
+PJ028589	APQMRR 	C30H55N13O8S	757.4018	NA	PeJP	NA	NA
+PJ028590	LHFRW 	C38H51N11O6	757.4024	NA	PeJP	NA	NA
+MJ093390	Germine; O3-(3,4-Dimethoxybenzoyl), O15-(2-methylbutanoyl) 	C41H59NO12	757.403726	NA	MeJP	NA	NA
+PJ028591	APVVLEM 	C34H59N7O10S	757.4044	NA	PeJP	NA	NA
+PJ028592	GPVLLEM 	C34H59N7O10S	757.4045	NA	PeJP	NA	NA
+PJ028593	PTQKER 	C31H55N11O11	757.4083	NA	PeJP	NA	NA
+2980	kinases inhibitor	KKAMRRQEAVDAL	757.41015	MH2+	Inhouse_peptide	NA	peptide
+PJ028594	APKKEW 	C36H55N9O9	757.4123	NA	PeJP	NA	NA
+PJ028595	APCRRR 	C29H55N15O7S	757.413	NA	PeJP	NA	NA
+PJ028596	PLLEMR 	C33H59N9O9S	757.4157	NA	PeJP	NA	NA
+PJ028597	PPVLFW 	C41H55N7O7	757.4163	NA	PeJP	NA	NA
+PJ028598	GLQERR 	C30H55N13O10	757.4195	NA	PeJP	NA	NA
+PJ028599	PVLLMW 	C38H59N7O7S	757.4197	NA	PeJP	NA	NA
+PJ028600	AALLLEE 	C34H59N7O12	757.4222	NA	PeJP	NA	NA
+PJ028601	APTKRW 	C35H55N11O8	757.4235	NA	PeJP	NA	NA
+PJ028602	GGGLLRW 	C35H55N11O8	757.4236	NA	PeJP	NA	NA
+MJ093391	Antibiotic PA 108 	C38H63NO14	757.424855	NA	MeJP	NA	NA
+MJ093392	Cirramycin A1; 14-Hydroxy, 4'-O-(2,6-dideoxy-3C-methyl-ribo-hexopyranosyl) 	C38H63NO14	757.424855	NA	MeJP	NA	NA
+MJ093393	Leucomycin A7 	C38H63NO14	757.424855	NA	MeJP	NA	NA
+MJ093394	Leucomycin V; O3-Propanoyl 	C38H63NO14	757.424855	NA	MeJP	NA	NA
+MJ093395	Tylosin B; 3C-O-De-Me 	C38H63NO14	757.424855	NA	MeJP	NA	NA
+C14060	Leucomycin A7	C38H63NO14	757.4249	NA	KEGG	NA	NA
+PJ028603	PVQKMR 	C32H59N11O8S	757.4269	NA	PeJP	NA	NA
+PJ028604	AAERRR 	C29H55N15O9	757.4308	NA	PeJP	NA	NA
+PJ028605	VLLEER 	C33H59N9O11	757.4334	NA	PeJP	NA	NA
+PJ028606	GGAALLKE 	C33H59N9O11	757.4335	NA	PeJP	NA	NA
+PJ028607	LQRRW 	C34H55N13O7	757.4348	NA	PeJP	NA	NA
+PJ028608	VVLLEW 	C38H59N7O9	757.4375	NA	PeJP	NA	NA
+PJ028609	APKMRR 	C31H59N13O7S	757.4381	NA	PeJP	NA	NA
+PJ028610	APTLLLM 	C35H63N7O9S	757.4408	NA	PeJP	NA	NA
+3893	temporin G	FFPVIGRILNGILG	757.44145	MH2+	Inhouse_peptide	NA	peptide
+PJ028611	DRRRR 	C28H55N17O8	757.442	NA	PeJP	NA	NA
+PJ028612	PTKKER 	C32H59N11O10	757.4447	NA	PeJP	NA	NA
+PJ028613	SPLKKW 	C37H59N9O8	757.4487	NA	PeJP	NA	NA
+PJ028614	AAPLKKM 	C34H63N9O8S	757.4521	NA	PeJP	NA	NA
+3875	vespa-like peptide from R, Esculenta	FLPILGKILGQLFG	757.4535	MH2+	Inhouse_peptide	NA	peptide
+PJ028615	GLKERR 	C31H59N13O9	757.4559	NA	PeJP	NA	NA
+PJ028616	GTLLLLE 	C35H63N7O11	757.4586	NA	PeJP	NA	NA
+PJ028617	GVLKRW 	C36H59N11O7	757.4599	NA	PeJP	NA	NA
+PJ028618	PVKKMR 	C33H63N11O7S	757.4633	NA	PeJP	NA	NA
+PJ028619	GTLRRR 	C30H59N15O8	757.4671	NA	PeJP	NA	NA
+HMDB09203	PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H68NO8P	757.468262	NA	HMDB2010	NA	NA
+HMDB09459	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	C43H68NO8P	757.468262	NA	HMDB2010	NA	NA
+PJ028620	LLQKKE 	C34H63N9O10	757.4698	NA	PeJP	NA	NA
+PJ028621	LKRRW 	C35H59N13O6	757.4712	NA	PeJP	NA	NA
+PJ028622	TLLLLW 	C39H63N7O8	757.4738	NA	PeJP	NA	NA
+PJ028623	GPVLLLF 	C39H63N7O8	757.4739	NA	PeJP	NA	NA
+PJ028624	GVLLLLM 	C36H67N7O8S	757.4772	NA	PeJP	NA	NA
+PJ028625	VVKKER 	C33H63N11O9	757.4811	NA	PeJP	NA	NA
+PJ028626	ALLKKW 	C38H63N9O7	757.4851	NA	PeJP	NA	NA
+PJ028627	LLLLMR 	C35H67N9O7S	757.4884	NA	PeJP	NA	NA
+HMDB12338	PS(14:0/20:3(8Z,11Z,14Z))	C40H72NO10P	757.48938	NA	HMDB2010	NA	NA
+HMDB12359	PS(16:0/18:3(9Z,12Z,15Z))	C40H72NO10P	757.48938	NA	HMDB2010	NA	NA
+HMDB12369	PS(16:1(9Z)/18:2(9Z,12Z))	C40H72NO10P	757.48938	NA	HMDB2010	NA	NA
+HMDB12399	PS(18:2(9Z,12Z)/16:1(9Z))	C40H72NO10P	757.48938	NA	HMDB2010	NA	NA
+HMDB12409	PS(18:3(9Z,12Z,15Z)/16:0)	C40H72NO10P	757.48938	NA	HMDB2010	NA	NA
+HMDB12418	PS(20:3(8Z,11Z,14Z)/14:0)	C40H72NO10P	757.48938	NA	HMDB2010	NA	NA
+PJ028628	SVLKRR 	C32H63N13O8	757.4923	NA	PeJP	NA	NA
+PJ028629	SSLLLLL 	C36H67N7O10	757.495	NA	PeJP	NA	NA
+MJ093396	13-Cyclopentyl-13-deethylerythromycin B 	C40H71NO12	757.497626	NA	MeJP	NA	NA
+PJ028630	LLKKKE 	C35H67N9O9	757.5062	NA	PeJP	NA	NA
+PJ028631	TLLKKR 	C34H67N11O8	757.5174	NA	PeJP	NA	NA
+PJ028632	AKKKKR 	C33H67N13O7	757.5287	NA	PeJP	NA	NA
+PJ028633	VKKKKK 	C35H71N11O7	757.5538	NA	PeJP	NA	NA
+HMDB07880	PC(14:0/20:2(11Z,14Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB07912	PC(14:1(9Z)/20:1(11Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB07973	PC(16:0/18:2(9Z,12Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08004	PC(16:1(9Z)/18:1(11Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08005	PC(16:1(9Z)/18:1(9Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08068	PC(18:1(11Z)/16:1(9Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08101	PC(18:1(9Z)/16:1(9Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08133	PC(18:2(9Z,12Z)/16:0)	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08296	PC(20:1(11Z)/14:1(9Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08328	PC(20:2(11Z,14Z)/14:0)	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB08909	PE(15:0/22:2(13Z,16Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB09549	PE(22:2(13Z,16Z)/15:0)	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+HMDB10565	PE-NMe(18:1(9Z)/18:1(9Z))	C42H80NO8P	757.562134	NA	HMDB2010	NA	NA
+EUR694	PC(34:2) monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR944	PC 34:2 monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR694	PC(34:2) monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR944	PC 34:2 monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR694	PC(34:2) monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR944	PC 34:2 monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR694	PC(34:2) monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	Inhousejuil11	NA	NA
+EUR944	PC 34:2 monoisotopic mass 	C42H80NO8P	757.562157	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09248	PE(20:0/P-18:1(11Z))	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB09249	PE(20:0/P-18:1(9Z))	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB09280	PE(20:1(11Z)/P-18:0)	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB09543	PE(22:1(13Z)/P-16:0)	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB11356	PE(P-16:0/22:1(13Z))	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB11381	PE(P-18:0/20:1(11Z))	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB11413	PE(P-18:1(11Z)/20:0)	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB11446	PE(P-18:1(9Z)/20:0)	C43H84NO7P	757.598511	NA	HMDB2010	NA	NA
+HMDB10706	CerP(d18:1/26:0)	C44H88NO6P	757.634949	NA	HMDB2010	NA	NA
+5461	aurein 2,4,1	FDIVKKVVGTIAGLG	757.94295	MH2+	Inhouse_peptide	NA	peptide
+MJ093397	1,2,4-Benzenetriol; 2-Me ether, 4-O-[2,3,6-tris(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C34H30O20	758.133043	NA	MeJP	NA	NA
+PJ028634	SCCCNDD 	C24H38N8O14S3	758.167	NA	PeJP	NA	NA
+PJ028635	PCCCCCQ 	C25H42N8O9S5	758.1679	NA	PeJP	NA	NA
+FL5FACGS0103	Monepalin B;Quercetin 3-(2''-(E)-caffeoyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside;2-(3,4-Dihydroxyphenyl)-3-[[6-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one	C35H34O19	758.16942	444815-19-4	knapsack	NA	NA
+FL1C3CGS0023	Okanin 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside)	C39H34O16	758.18468	142628-31-7	knapsack	NA	NA
+MJ093398	2',3,3',4,4'-Pentahydroxychalcone, 4'-O-[3,4-Dihydroxycinnamoyl-(?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside] 	C39H34O16	758.184685	NA	MeJP	NA	NA
+PJ028636	GCCCNEM 	C25H42N8O11S4	758.1856	NA	PeJP	NA	NA
+FL5FACGL0031	Quercetin 3-sambubioside-7-glucoside	C32H38O21	758.19055	162556-33-4	knapsack	NA	NA
+FL5FACGL0044	Quercetin 3-sambubioside-3'-glucoside	C32H38O21	758.19055	-	knapsack	NA	NA
+MJ093399	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 3'-O-?-D-glucopyranoside 	C32H38O21	758.190558	NA	MeJP	NA	NA
+MJ093400	Isoquercitrin; 2''-O-?-D-Xylopyranosyl, 3'-O-?-D-glucopyranoside 	C32H38O21	758.190558	NA	MeJP	NA	NA
+MJ093401	Isoquercitrin; 3''-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] 	C32H38O21	758.190558	NA	MeJP	NA	NA
+MJ093402	Quercimeritrin; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C32H38O21	758.190558	NA	MeJP	NA	NA
+MJ093403	Quercimeritrin; 3-O-[Xylosyl-(1??)-glucoside] 	C32H38O21	758.190558	NA	MeJP	NA	NA
+MJ093404	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside], 5-O-?-D-glucopyranoside 	C32H39O21(+)	758.190558	NA	MeJP	NA	NA
+MJ093405	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C32H39O21(+)	758.190558	NA	MeJP	NA	NA
+MJ093406	Topsentiasterol sulfate A 	C30H46O16S3	758.194797	NA	MeJP	NA	NA
+PJ028637	GCCCCDR 	C24H42N10O10S4	758.1969	NA	PeJP	NA	NA
+PJ028638	CCCNMW 	C29H42N8O8S4	758.2009	NA	PeJP	NA	NA
+PJ028639	SSCCNDM 	C25H42N8O13S3	758.2034	NA	PeJP	NA	NA
+PJ028640	PCCCCCK 	C26H46N8O8S5	758.2042	NA	PeJP	NA	NA
+PJ028641	CDDDEY 	C29H38N6O16S	758.2065	NA	PeJP	NA	NA
+PJ028642	CDEMMM 	C27H46N6O11S4	758.2108	NA	PeJP	NA	NA
+PJ028643	GSTCCCW 	C29H42N8O10S3	758.2186	NA	PeJP	NA	NA
+MJ093407	Paulomycin B; 3''-O-De-Me 	C32H42N2O17S	758.220418	NA	MeJP	NA	NA
+PJ028644	GSSSSCCE 	C25H42N8O15S2	758.2211	NA	PeJP	NA	NA
+PJ028645	GSCCQMM 	C26H46N8O10S4	758.222	NA	PeJP	NA	NA
+PJ028646	CDDEMF 	C30H42N6O13S2	758.2252	NA	PeJP	NA	NA
+FL1CAAGS0009	Chalconaringenin 2'-O-glucoside 4'-O-gentobioside;4,2',4',6'-Tetrahydroxychalcone 2'-O-glucoside 4'-O-gentobioside	C33H42O20	758.22694	329272-53-9	knapsack	NA	NA
+MJ093408	2',4,4',6'-Tetrahydroxychalcone; 2'-O-?-D-Glucopyranoside, 4'-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H42O20	758.226943	NA	MeJP	NA	NA
+MJ093409	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H42O20	758.226943	NA	MeJP	NA	NA
+PJ028647	CCEMHH 	C28H42N10O9S3	758.2299	NA	PeJP	NA	NA
+PJ028648	GSCCCMR 	C25H46N10O9S4	758.2332	NA	PeJP	NA	NA
+PJ028649	CCCHFF 	C33H42N8O7S3	758.2339	NA	PeJP	NA	NA
+C06488	XV638	C41H38N6O5S2	758.2345	NA	KEGG	NA	NA
+PJ028650	DDDEEH 	C28H38N8O17	758.2355	NA	PeJP	NA	NA
+MJ093410	Phleichrome; 14,21-Diepimer, 14,21-di-O-benzoyl 	C44H38O12	758.236326	NA	MeJP	NA	NA
+PJ028651	SSSSCCW 	C29H42N8O12S2	758.2364	NA	PeJP	NA	NA
+PJ028652	SSSSSSCD 	C25H42N8O17S	758.2389	NA	PeJP	NA	NA
+PJ028653	SSSCNMM 	C26H46N8O12S3	758.2398	NA	PeJP	NA	NA
+MJ093411	Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?3)-2-O-benzoyl-?-L-rhamnopyranoside] 	C37H42O17	758.242199	NA	MeJP	NA	NA
+PJ028654	SDDEMY 	C30H42N6O15S	758.2429	NA	PeJP	NA	NA
+PJ028655	PCDMMY 	C31H46N6O10S3	758.2438	NA	PeJP	NA	NA
+PJ028656	GSNDDDH 	C27H38N10O16	758.2468	NA	PeJP	NA	NA
+PJ028657	SEMMMM 	C28H50N6O10S4	758.2472	NA	PeJP	NA	NA
+PJ028658	GPCCNEH 	C28H42N10O11S2	758.2476	NA	PeJP	NA	NA
+PJ028659	SSTCCCR 	C25H46N10O11S3	758.251	NA	PeJP	NA	NA
+PJ028660	GCCQYW 	C33H42N8O9S2	758.2516	NA	PeJP	NA	NA
+PJ028661	GSSCNEY 	C29H42N8O14S	758.2541	NA	PeJP	NA	NA
+PJ028662	GGGSSCEY 	C29H42N8O14S	758.2542	NA	PeJP	NA	NA
+PJ028663	CNNMMF 	C30H46N8O9S3	758.255	NA	PeJP	NA	NA
+PJ028664	GSSSSTCM 	C26H46N8O14S2	758.2575	NA	PeJP	NA	NA
+PJ028665	PCDDFY 	C34H42N6O12S	758.2582	NA	PeJP	NA	NA
+PJ028666	GSCCKMM 	C27H50N8O9S4	758.2584	NA	PeJP	NA	NA
+PJ028667	GEEMMY 	C31H46N6O12S2	758.2615	NA	PeJP	NA	NA
+PJ028668	PCMMMF 	C32H50N6O7S4	758.2624	NA	PeJP	NA	NA
+PJ028669	PCCNHW 	C32H42N10O8S2	758.2629	NA	PeJP	NA	NA
+MJ093412	Centauroside 	C34H46O19	758.263329	NA	MeJP	NA	NA
+PJ028670	NNDEMH 	C28H42N10O13S	758.2654	NA	PeJP	NA	NA
+PJ028671	CLMMMM 	C29H54N6O7S5	758.2658	NA	PeJP	NA	NA
+PJ028672	CCCQFR 	C29H46N10O8S3	758.2663	NA	PeJP	NA	NA
+MJ093413	1,2,6,8,9,14-Hexahydroxydihydro-?-agarofuran, 2,8-Bis-(3-pyridinecarbonyl), 9-benzoyl, 1,6,14-tri-Ac 	C40H42N2O13	758.268689	NA	MeJP	NA	NA
+PJ028673	SSCNYW 	C33H42N8O11S	758.2694	NA	PeJP	NA	NA
+PJ028674	SSSSNDY 	C29H42N8O16	758.2719	NA	PeJP	NA	NA
+MJ093414	Kuwanon W 	C45H42O11	758.272712	NA	MeJP	NA	NA
+PJ028675	SNNMMY 	C30H46N8O11S2	758.2728	NA	PeJP	NA	NA
+PJ028676	SSSSSSSM 	C26H46N8O16S	758.2753	NA	PeJP	NA	NA
+PJ028677	SPDDYY 	C34H42N6O14	758.2759	NA	PeJP	NA	NA
+PJ028678	SSTCCKM 	C27H50N8O11S3	758.2761	NA	PeJP	NA	NA
+PJ028679	CNDDHR 	C27H42N12O12S	758.2766	NA	PeJP	NA	NA
+PJ028680	EMMYW 	C35H46N6O9S2	758.2768	NA	PeJP	NA	NA
+MJ093415	Pseudrelone B 	C38H46O16	758.278585	NA	MeJP	NA	NA
+PJ028681	STEEMY 	C31H46N6O14S	758.2793	NA	PeJP	NA	NA
+PJ028682	SPMMMY 	C32H50N6O9S3	758.2802	NA	PeJP	NA	NA
+PJ028683	GNDMHW 	C32H42N10O10S	758.2806	NA	PeJP	NA	NA
+PJ028684	GGGDMHW 	C32H42N10O10S	758.2807	NA	PeJP	NA	NA
+PJ028685	GSSNEEH 	C28H42N10O15	758.2831	NA	PeJP	NA	NA
+PJ028686	GGGSSEEH 	C28H42N10O15	758.2832	NA	PeJP	NA	NA
+PJ028687	SCCQRY 	C29H46N10O10S2	758.284	NA	PeJP	NA	NA
+PJ028688	GNNEYY 	C33H42N8O13	758.2872	NA	PeJP	NA	NA
+PJ028689	GCCKYW 	C34H46N8O8S2	758.288	NA	PeJP	NA	NA
+PJ028690	GSSSQMY 	C30H46N8O13S	758.2905	NA	PeJP	NA	NA
+PJ028691	GGAPPDDM 	C30H46N8O13S	758.2906	NA	PeJP	NA	NA
+PJ028692	DEFYW 	C38H42N6O11	758.2912	NA	PeJP	NA	NA
+PJ028693	CCQKMF 	C31H50N8O8S3	758.2914	NA	PeJP	NA	NA
+PJ028694	PCEHHH 	C31H42N12O9S	758.2919	NA	PeJP	NA	NA
+PJ028695	SSSNNNH 	C27H42N12O14	758.2944	NA	PeJP	NA	NA
+PJ028696	GPEMYY 	C35H46N6O11S	758.2946	NA	PeJP	NA	NA
+PJ028697	GSPCCHR 	C28H46N12O9S2	758.2952	NA	PeJP	NA	NA
+PJ028698	CQHWW 	C36H42N10O7S	758.2959	NA	PeJP	NA	NA
+PJ028699	SVEMMY 	C32H50N6O11S2	758.2979	NA	PeJP	NA	NA
+PJ028700	SSNEHW 	C32H42N10O12	758.2984	NA	PeJP	NA	NA
+PJ028701	GMMHHF 	C33H46N10O7S2	758.2993	NA	PeJP	NA	NA
+MJ093416	Cephabacin F; Cephabacin F4, 28-Deoxy, N27-L-Alanyl 	C29H46N10O12S	758.301737	NA	MeJP	NA	NA
+PJ028702	GSSSCRY 	C29H46N10O12S	758.3018	NA	PeJP	NA	NA
+PJ028703	NNYYW 	C37H42N8O10	758.3024	NA	PeJP	NA	NA
+PJ028704	CCCKFR 	C30H50N10O7S3	758.3026	NA	PeJP	NA	NA
+PJ028705	PPNDMW 	C34H46N8O10S	758.3058	NA	PeJP	NA	NA
+PJ028706	SSSSTQY 	C30H46N8O15	758.3083	NA	PeJP	NA	NA
+PJ028707	SCQKMY 	C31H50N8O10S2	758.3091	NA	PeJP	NA	NA
+PJ028708	TCNKMY 	C31H50N8O10S2	758.3092	NA	PeJP	NA	NA
+PJ028709	NNNNHF 	C31H42N12O11	758.3096	NA	PeJP	NA	NA
+PJ028710	GGGGGGNHF 	C31H42N12O11	758.3097	NA	PeJP	NA	NA
+PJ028711	PMYYW 	C39H46N6O8S	758.3098	NA	PeJP	NA	NA
+PJ028712	GVEEYY 	C35H46N6O13	758.3123	NA	PeJP	NA	NA
+PJ028713	SNDMHR 	C28H46N12O11S	758.313	NA	PeJP	NA	NA
+PJ028714	APMMFY 	C36H50N6O8S2	758.3132	NA	PeJP	NA	NA
+PJ028715	GSSHWW 	C36H42N10O9	758.3137	NA	PeJP	NA	NA
+MJ093417	6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 3-Benzoyl, 2,5,7,8,9,14-hexa-Ac 	C39H50O15	758.31497	NA	MeJP	NA	NA
+MJ093418	Trichilin B; 1,12-Di-Ac 	C39H50O15	758.31497	NA	MeJP	NA	NA
+PJ028716	ALMMMY 	C33H54N6O8S3	758.3165	NA	PeJP	NA	NA
+PJ028717	VCLMMY 	C33H54N6O8S3	758.3166	NA	PeJP	NA	NA
+PJ028718	GTQMHW 	C33H46N10O9S	758.317	NA	PeJP	NA	NA
+PJ028719	PNDEER 	C29H46N10O14	758.3195	NA	PeJP	NA	NA
+PJ028720	GGGGGGAPTE 	C29H46N10O14	758.3196	NA	PeJP	NA	NA
+PJ028721	SCCKRY 	C30H50N10O9S2	758.3204	NA	PeJP	NA	NA
+PJ028722	SNQHHH 	C30H42N14O10	758.3209	NA	PeJP	NA	NA
+PJ028723	APPCWW 	C38H46N8O7S	758.3211	NA	PeJP	NA	NA
+PJ028724	EERYY 	C34H46N8O12	758.3235	NA	PeJP	NA	NA
+PJ028725	APQEEW 	C34H46N8O12	758.3236	NA	PeJP	NA	NA
+PJ028726	PPMMHF 	C35H50N8O7S2	758.3244	NA	PeJP	NA	NA
+PJ028727	GSSSKMY 	C31H50N8O12S	758.3269	NA	PeJP	NA	NA
+PJ028728	VEYYW 	C39H46N6O10	758.3276	NA	PeJP	NA	NA
+PJ028729	CCKKMF 	C32H54N8O7S3	758.3278	NA	PeJP	NA	NA
+PJ028730	GTCHRW 	C32H46N12O8S	758.3283	NA	PeJP	NA	NA
+PJ028731	NNQQQQ 	C28H46N12O13	758.3307	NA	PeJP	NA	NA
+PJ028732	GSSSEHR 	C28H46N12O13	758.3308	NA	PeJP	NA	NA
+PJ028733	SPVMYY 	C36H50N6O10S	758.3309	NA	PeJP	NA	NA
+PJ028734	GQMMHR 	C29H50N12O8S2	758.3316	NA	PeJP	NA	NA
+PJ028735	CKHWW 	C37H46N10O6S	758.3323	NA	PeJP	NA	NA
+PJ028736	TTLMMY 	C33H54N6O10S2	758.3343	NA	PeJP	NA	NA
+PJ028737	GPDERW 	C33H46N10O11	758.3348	NA	PeJP	NA	NA
+MJ093419	Anodendrosin A; 6'-?-D-Xylopyranosyl 	C36H54O17	758.3361	NA	MeJP	NA	NA
+MJ093420	Anodendrosin F; 4-O-[?-D-Xylopyranosyl(1?6)-?-D-glucopyranoside] 	C36H54O17	758.3361	NA	MeJP	NA	NA
+PJ028738	SQKEMH 	C30H50N10O11S	758.3381	NA	PeJP	NA	NA
+PJ028739	GSPPDMR 	C30H50N10O11S	758.3382	NA	PeJP	NA	NA
+PJ028740	AAPEWW 	C38H46N8O9	758.3388	NA	PeJP	NA	NA
+PJ028741	NNNNQR 	C27H46N14O12	758.342	NA	PeJP	NA	NA
+PJ028742	PPTQMW 	C35H50N8O9S	758.3422	NA	PeJP	NA	NA
+PJ028743	PFFYW 	C43H46N6O7	758.3428	NA	PeJP	NA	NA
+PJ028744	GCMHRR 	C28H50N14O7S2	758.3429	NA	PeJP	NA	NA
+PJ028745	SSSSTKY 	C31H50N8O14	758.3447	NA	PeJP	NA	NA
+PJ028746	SCKKMY 	C32H54N8O9S2	758.3455	NA	PeJP	NA	NA
+PJ028747	VLEMMH 	C32H54N8O9S2	758.3456	NA	PeJP	NA	NA
+PJ028748	SSSHRW 	C32H46N12O10	758.346	NA	PeJP	NA	NA
+PJ028749	LMFYW 	C40H50N6O7S	758.3462	NA	PeJP	NA	NA
+PJ028750	ATLEYY 	C36H50N6O12	758.3487	NA	PeJP	NA	NA
+PJ028751	STQMHR 	C29H50N12O10S	758.3494	NA	PeJP	NA	NA
+PJ028752	ALMMFF 	C37H54N6O7S2	758.3496	NA	PeJP	NA	NA
+PJ028753	PDRWW 	C37H46N10O8	758.35	NA	PeJP	NA	NA
+PJ028754	GGGVHFW 	C37H46N10O8	758.3501	NA	PeJP	NA	NA
+MJ093421	Antibiotic FA 252C 	C26H56N5O20	758.351864	NA	MeJP	NA	NA
+PJ028755	PPTCRW 	C34H50N10O8S	758.3534	NA	PeJP	NA	NA
+PJ028756	PTQEER 	C30H50N10O13	758.3559	NA	PeJP	NA	NA
+PJ028757	PPQMMR 	C31H54N10O8S2	758.3568	NA	PeJP	NA	NA
+PJ028758	SNKHHH 	C31H46N14O9	758.3572	NA	PeJP	NA	NA
+PJ028759	GGSKHHH 	C31H46N14O9	758.3573	NA	PeJP	NA	NA
+PJ028760	APKEEW 	C35H50N8O11	758.3599	NA	PeJP	NA	NA
+PJ028761	GGGPPVEF 	C35H50N8O11	758.36	NA	PeJP	NA	NA
+PJ028762	STCHRR 	C28H50N14O9S	758.3606	NA	PeJP	NA	NA
+PJ028763	NHFRW 	C36H46N12O7	758.3613	NA	PeJP	NA	NA
+PJ028764	GPPTKEM 	C32H54N8O11S	758.3633	NA	PeJP	NA	NA
+PJ028765	APVFYY 	C40H50N6O9	758.3639	NA	PeJP	NA	NA
+PJ028766	GPLFYY 	C40H50N6O9	758.364	NA	PeJP	NA	NA
+PJ028767	VVMHHH 	C33H50N12O7S	758.3647	NA	PeJP	NA	NA
+PJ028768	SPDERR 	C29H50N12O12	758.3671	NA	PeJP	NA	NA
+PJ028769	PTDDRR 	C29H50N12O12	758.3672	NA	PeJP	NA	NA
+PJ028770	GLLMYY 	C37H54N6O9S	758.3673	NA	PeJP	NA	NA
+PJ028771	PPCMRR 	C30H54N12O7S2	758.368	NA	PeJP	NA	NA
+PJ028772	APTERW 	C34H50N10O10	758.3712	NA	PeJP	NA	NA
+PJ028773	PVQEMR 	C31H54N10O10S	758.3745	NA	PeJP	NA	NA
+PJ028774	GAPLDMR 	C31H54N10O10S	758.3746	NA	PeJP	NA	NA
+PJ028775	GPTLWW 	C39H50N8O8	758.3752	NA	PeJP	NA	NA
+MJ093422	Disorazole A1 	C43H54N2O10	758.377845	NA	MeJP	NA	NA
+MJ093423	Disorazole G1 	C43H54N2O10	758.377845	NA	MeJP	NA	NA
+MJ093424	Disorazole G2 	C43H54N2O10	758.377845	NA	MeJP	NA	NA
+MJ093425	Saptomycin B; 1'-Epimer, 4'-Ac 	C43H54N2O10	758.377845	NA	MeJP	NA	NA
+PJ028776	GNQERR 	C28H50N14O11	758.3784	NA	PeJP	NA	NA
+PJ028777	PPTKMW 	C36H54N8O8S	758.3786	NA	PeJP	NA	NA
+PJ028778	LFFFW 	C44H50N6O6	758.3792	NA	PeJP	NA	NA
+PJ028779	PKKEEE 	C32H54N8O13	758.3811	NA	PeJP	NA	NA
+MJ093426	Iejimalide A; O-Sulfate 	C40H58N2O10S	758.381216	NA	MeJP	NA	NA
+MJ093427	Bisclausarin 	C48H54O8	758.381868	NA	MeJP	NA	NA
+MJ093428	Claudimerin A 	C48H54O8	758.381868	NA	MeJP	NA	NA
+MJ093429	Marshdimerin 	C48H54O8	758.381868	NA	MeJP	NA	NA
+PJ028780	GPPVKMM 	C33H58N8O8S2	758.3819	NA	PeJP	NA	NA
+PJ028781	AAQQRW 	C33H50N12O9	758.3824	NA	PeJP	NA	NA
+PJ028782	STLLYY 	C37H54N6O11	758.3851	NA	PeJP	NA	NA
+PJ028783	APEMRR 	C30H54N12O9S	758.3858	NA	PeJP	NA	NA
+PJ028784	GPPFRW 	C38H50N10O7	758.3864	NA	PeJP	NA	NA
+MJ093430	Dregeana 4 	C41H58O13	758.387741	NA	MeJP	NA	NA
+PJ028785	GPLMRW 	C35H54N10O7S	758.3898	NA	PeJP	NA	NA
+PJ028786	PTKEER 	C31H54N10O12	758.3923	NA	PeJP	NA	NA
+PJ028787	PPKMMR 	C32H58N10O7S2	758.3932	NA	PeJP	NA	NA
+PJ028788	NQRRW 	C32H50N14O8	758.3936	NA	PeJP	NA	NA
+PJ028789	GGGARRW 	C32H50N14O8	758.3937	NA	PeJP	NA	NA
+PJ028790	SPLKEW 	C36H54N8O10	758.3963	NA	PeJP	NA	NA
+PJ028791	AAPLKEM 	C33H58N8O10S	758.3997	NA	PeJP	NA	NA
+PJ028792	GLLFFY 	C41H54N6O8	758.4003	NA	PeJP	NA	NA
+PJ028793	GLEERR 	C30H54N12O11	758.4035	NA	PeJP	NA	NA
+PJ028794	GGGGVKER 	C30H54N12O11	758.4036	NA	PeJP	NA	NA
+PJ028795	GPHHRR 	C31H50N16O7	758.4049	NA	PeJP	NA	NA
+PJ028796	SPTLRW 	C35H54N10O9	758.4075	NA	PeJP	NA	NA
+PJ028797	GVLERW 	C35H54N10O9	758.4076	NA	PeJP	NA	NA
+MJ093431	8(14),15-Pimaradiene-3,12-diol, 3-O-[3-O-Methyl-?-D-glucopyranosyl-(1?2)-?-L-arabinofuranoside], 12-O-?-D-fucopyranoside 	C38H62O15	758.408871	NA	MeJP	NA	NA
+MJ093432	Spirostane-1,3,4,5-tetrol, 3-O-?-D-Glucopyranoside, 5-O-?-L-arabinopyranoside 	C38H62O15	758.408871	NA	MeJP	NA	NA
+PJ028798	PVKEMR 	C32H58N10O9S	758.4109	NA	PeJP	NA	NA
+MJ093433	Antibiotic L 156373 	C40H54N8O7	758.411546	NA	MeJP	NA	NA
+MJ093434	Unguisin A 	C40H54N8O7	758.411546	NA	MeJP	NA	NA
+PJ028799	AALLWW 	C40H54N8O7	758.4116	NA	PeJP	NA	NA
+PJ028800	GNKERR 	C29H54N14O10	758.4148	NA	PeJP	NA	NA
+PJ028801	PVVKMW 	C37H58N8O7S	758.415	NA	PeJP	NA	NA
+PJ028802	APTTLKE 	C33H58N8O12	758.4174	NA	PeJP	NA	NA
+PJ028803	LLQKEE 	C33H58N8O12	758.4175	NA	PeJP	NA	NA
+PJ028804	LERRW 	C34H54N12O8	758.4188	NA	PeJP	NA	NA
+PJ028805	SPLMRR 	C31H58N12O8S	758.4222	NA	PeJP	NA	NA
+PJ028806	VLRWW 	C39H54N10O6	758.4228	NA	PeJP	NA	NA
+MJ093435	3,8,12,14-Tetrahydroxypregnan-20-one, 12-Benzoyl, 3-O-[2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C42H62O12	758.424127	NA	MeJP	NA	NA
+PJ028807	GSQRRR 	C28H54N16O9	758.426	NA	PeJP	NA	NA
+PJ028808	VVKEER 	C32H58N10O11	758.4287	NA	PeJP	NA	NA
+PJ028809	NKRRW 	C33H54N14O7	758.43	NA	PeJP	NA	NA
+PJ028810	ALLKEW 	C37H58N8O9	758.4327	NA	PeJP	NA	NA
+PJ028811	GPTLLKM 	C34H62N8O9S	758.4361	NA	PeJP	NA	NA
+MJ093436	Astaxanthin, 3-O-?-D-Glucopyranoside 	C46H62O9	758.439383	NA	MeJP	NA	NA
+MJ093437	Lavendothricin; Lavendothricin D 	C31H58N12O10	758.439886	NA	MeJP	NA	NA
+MJ093438	Streptothricin; Streptothricin D 	C31H58N12O10	758.439886	NA	MeJP	NA	NA
+PJ028812	SVLERR 	C31H58N12O10	758.4399	NA	PeJP	NA	NA
+PJ028813	ATLLRW 	C36H58N10O8	758.4439	NA	PeJP	NA	NA
+PJ028814	GGALKKW 	C36H58N10O8	758.444	NA	PeJP	NA	NA
+MJ093439	Cholest-22-ene-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093440	Cholest-5-ene-1,3,16,22,26-pentol, 1-O-?-L-Rhamnopyranoside, 3-O-?-D-galactopyranoside 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093441	Cholest-5-ene-1,3,16,22-tetrol, 1,16-Di-O-?-D-glucopyranoside 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093442	Ergost-24(28)-ene-3,6,8,15,16,26-hexol, 26-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093443	Ergost-24-ene-3,4,6,8,15,26-hexol, 3-O-(2-O-Methyl-?-D-arabinofuranoside), 26-O-?-L-arabinofuranoside 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093444	Furostane-3,15,22-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093445	Furostane-3,22,26-triol, 3,26-Di-O-?-D-glucopyranoside 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093446	Furostane-3,22,26-triol, 3-O-?-D-Galactopyranoside, 26-O-?-D-glucopyranoside 	C39H66O14	758.445256	NA	MeJP	NA	NA
+MJ093447	Antibiotic RF 2691A 	C40H62N4O10	758.446594	NA	MeJP	NA	NA
+PJ028815	VLLQMR 	C33H62N10O8S	758.4473	NA	PeJP	NA	NA
+PJ028816	GDKKRR 	C30H58N14O9	758.4512	NA	PeJP	NA	NA
+PJ028817	LLKKEE 	C34H62N8O11	758.4538	NA	PeJP	NA	NA
+PJ028818	AAKKRW 	C35H58N12O7	758.4552	NA	PeJP	NA	NA
+PJ028819	PCKKKR 	C32H62N12O7S	758.4585	NA	PeJP	NA	NA
+PJ028820	ALLMRR 	C32H62N12O7S	758.4586	NA	PeJP	NA	NA
+PJ028821	GSKRRR 	C29H58N16O8	758.4624	NA	PeJP	NA	NA
+MJ093448	Xestosterol; 3-O-(18-Bromo-9E,17E-octadecadiene-7,15-diynoyl) 	C48H71BrO2	758.463744	NA	MeJP	NA	NA
+PJ028822	TLLKER 	C33H62N10O10	758.4651	NA	PeJP	NA	NA
+PJ028823	SLLLKW 	C38H62N8O8	758.4691	NA	PeJP	NA	NA
+PJ028824	AALLLKM 	C35H66N8O8S	758.4725	NA	PeJP	NA	NA
+PJ028825	TTLLRR 	C32H62N12O9	758.4763	NA	PeJP	NA	NA
+PJ028826	GLKKKW 	C37H62N10O7	758.4803	NA	PeJP	NA	NA
+PJ028827	VLLKMR 	C34H66N10O7S	758.4837	NA	PeJP	NA	NA
+PJ028828	ATKKRR 	C31H62N14O8	758.4875	NA	PeJP	NA	NA
+PJ028829	ATTLLLK 	C35H66N8O10	758.4902	NA	PeJP	NA	NA
+PJ028830	VKKKKE 	C34H66N10O9	758.5015	NA	PeJP	NA	NA
+C15937	(3R,2'S)-Myxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)	C48H70O7	758.5122	NA	KEGG	NA	NA
+C15938	MAGE-3 (271 - 279)	C48H70O7	758.5122	NA	KEGG	NA	NA
+PJ028831	SLKKKR 	C33H66N12O8	758.5127	NA	PeJP	NA	NA
+MJ093449	Polyprenol; Betulaprenol 7, O-[?-D-Xylopyranosyl-(1?4)-?-D-xylopyranoside] 	C45H74O9	758.533283	NA	MeJP	NA	NA
+MJ093450	Bendotramine 	C44H78N4O2S2	758.556619	NA	MeJP	NA	NA
+EUR1089	SM(d18:1/20:0) monoisotopic mass 	C43H87N2O6P	758.630176	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1089	SM(d18:1/20:0) monoisotopic mass 	C43H87N2O6P	758.630176	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1089	SM(d18:1/20:0) monoisotopic mass 	C43H87N2O6P	758.630176	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1089	SM(d18:1/20:0) monoisotopic mass 	C43H87N2O6P	758.630176	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12102	SM(d18:1/20:0)	C43H87N2O6P	758.630188	NA	HMDB2010	NA	NA
+HMDB07674	DG(22:2(13Z,16Z)/24:1(15Z)/0:0)	C49H90O5	758.678833	NA	HMDB2010	NA	NA
+HMDB07842	DG(24:1(15Z)/22:2(13Z,16Z)/0:0)	C49H90O5	758.678833	NA	HMDB2010	NA	NA
+PJ028832	SCCCDDD 	C24H37N7O15S3	759.151	NA	PeJP	NA	NA
+PJ028833	PCCCCCE 	C25H41N7O10S5	759.1519	NA	PeJP	NA	NA
+PJ028834	GCCCDEM 	C25H41N7O12S4	759.1696	NA	PeJP	NA	NA
+PJ028835	SCCCCNQ 	C24H41N9O11S4	759.1809	NA	PeJP	NA	NA
+PJ028836	CCCDMW 	C29H41N7O9S4	759.1849	NA	PeJP	NA	NA
+PJ028837	SSCCDDM 	C25H41N7O14S3	759.1874	NA	PeJP	NA	NA
+PJ028838	PTCCCCM 	C26H45N7O9S5	759.1883	NA	PeJP	NA	NA
+FL7AAGGA0016	Delphinidin 3-(2-xylosylgalactoside)-5-glucoside	C32H39O21	759.19838	328898-97-1	knapsack	NA	NA
+FL7AAGGL0010	Delphinidin 3-sambubioside-5-glucoside	C32H39O21	759.19838	36415-91-5	knapsack	NA	NA
+PJ028839	GSSSCCCN 	C24H41N9O13S3	759.1986	NA	PeJP	NA	NA
+PJ028840	GPCCCDY 	C29H41N7O11S3	759.2027	NA	PeJP	NA	NA
+PJ028841	GSCCEMM 	C26H45N7O11S4	759.206	NA	PeJP	NA	NA
+PJ028842	GCCCNNF 	C28H41N9O10S3	759.2139	NA	PeJP	NA	NA
+PJ028843	SCCCCNK 	C25H45N9O10S4	759.2172	NA	PeJP	NA	NA
+PJ028844	GGSCCCCK 	C25H45N9O10S4	759.2173	NA	PeJP	NA	NA
+PJ028845	CNDDMY 	C29H41N7O13S2	759.2204	NA	PeJP	NA	NA
+PJ028846	SCCMMW 	C30H45N7O8S4	759.2213	NA	PeJP	NA	NA
+PJ028847	SSSCDMM 	C26H45N7O13S3	759.2238	NA	PeJP	NA	NA
+PJ028848	CNMMMM 	C27H49N7O8S5	759.2246	NA	PeJP	NA	NA
+PJ028849	GGCMMMM 	C27H49N7O8S5	759.2247	NA	PeJP	NA	NA
+PJ028850	GTCCCHH 	C27H41N11O9S3	759.2251	NA	PeJP	NA	NA
+PJ028851	GSDDDDH 	C27H37N9O17	759.2308	NA	PeJP	NA	NA
+PJ028852	GSCCNNY 	C28H41N9O12S2	759.2316	NA	PeJP	NA	NA
+PJ028853	GGGGGSCCY 	C28H41N9O12S2	759.2317	NA	PeJP	NA	NA
+PJ028854	GCCEYW 	C33H41N7O10S2	759.2357	NA	PeJP	NA	NA
+PJ028855	GSSCDEY 	C29H41N7O15S	759.2382	NA	PeJP	NA	NA
+PJ028856	GSPCCMY 	C30H45N7O10S3	759.239	NA	PeJP	NA	NA
+PJ028857	GSTCMMM 	C27H49N7O10S4	759.2424	NA	PeJP	NA	NA
+PJ028858	SSSCCHH 	C27H41N11O11S2	759.2429	NA	PeJP	NA	NA
+PJ028859	PCCDHW 	C32H41N9O9S2	759.2469	NA	PeJP	NA	NA
+PJ028860	NDDEMH 	C28H41N9O14S	759.2494	NA	PeJP	NA	NA
+PJ028861	CCCEFR 	C29H45N9O9S3	759.2503	NA	PeJP	NA	NA
+PJ028862	CCYWW 	C37H41N7O7S2	759.2509	NA	PeJP	NA	NA
+PJ028863	SSCDYW 	C33H41N7O12S	759.2534	NA	PeJP	NA	NA
+PJ028864	ACCMFW 	C34H45N7O7S3	759.2543	NA	PeJP	NA	NA
+PJ028865	SSSSDDY 	C29H41N7O17	759.2559	NA	PeJP	NA	NA
+PJ028866	SNDMMY 	C30H45N7O12S2	759.2568	NA	PeJP	NA	NA
+PJ028867	CCNHHF 	C31H41N11O8S2	759.2581	NA	PeJP	NA	NA
+PJ028868	SSSSMMM 	C27H49N7O12S3	759.2601	NA	PeJP	NA	NA
+PJ028869	CDDDHR 	C27H41N11O13S	759.2606	NA	PeJP	NA	NA
+PJ028870	GGGGGTCDH 	C27H41N11O13S	759.2607	NA	PeJP	NA	NA
+PJ028871	GDDMHW 	C32H41N9O11S	759.2647	NA	PeJP	NA	NA
+PJ028872	GSSDEEH 	C28H41N9O16	759.2672	NA	PeJP	NA	NA
+PJ028873	SCCERY 	C29H45N9O11S2	759.268	NA	PeJP	NA	NA
+PJ028874	GNDEYY 	C33H41N7O14	759.2712	NA	PeJP	NA	NA
+PJ028875	GTCMYW 	C34H45N7O9S2	759.272	NA	PeJP	NA	NA
+PJ028876	GSPCCFF 	C34H45N7O9S2	759.2721	NA	PeJP	NA	NA
+PJ028877	GSSSEMY 	C30H45N7O14S	759.2745	NA	PeJP	NA	NA
+PJ028878	GPPDDEM 	C30H45N7O14S	759.2746	NA	PeJP	NA	NA
+PJ028879	GQMMMY 	C31H49N7O9S3	759.2754	NA	PeJP	NA	NA
+PJ028880	SCNNHW 	C31H41N11O10S	759.2759	NA	PeJP	NA	NA
+PJ028881	SSSNNDH 	C27H41N11O15	759.2784	NA	PeJP	NA	NA
+PJ028882	NNNMMH 	C28H45N11O10S2	759.2793	NA	PeJP	NA	NA
+PJ028883	CEHWW 	C36H41N9O8S	759.2799	NA	PeJP	NA	NA
+PJ028884	SSDEHW 	C32H41N9O13	759.2824	NA	PeJP	NA	NA
+PJ028885	SPCMHW 	C33H45N9O8S2	759.2833	NA	PeJP	NA	NA
+PJ028886	SQEEMH 	C29H45N9O13S	759.2858	NA	PeJP	NA	NA
+PJ028887	NDYYW 	C37H41N7O11	759.2864	NA	PeJP	NA	NA
+PJ028888	GCMMRY 	C30H49N9O8S3	759.2867	NA	PeJP	NA	NA
+MetaCyc04112	bilirubin-glucuronoside [bilirubin monoglucuronide;]	C39H43N4O12	759.287748	NA	metacyc	NA	NA
+PJ028889	GNNNNNN 	C26H41N13O14	759.2896	NA	PeJP	NA	NA
+PJ028890	GGGGGGGGGNN 	C26H41N13O14	759.2897	NA	PeJP	NA	NA
+PJ028891	SSSMYW 	C34H45N7O11S	759.2898	NA	PeJP	NA	NA
+PJ028892	CCNQHR 	C27H45N13O9S2	759.2905	NA	PeJP	NA	NA
+PJ028893	SSSSTEY 	C30H45N7O16	759.2923	NA	PeJP	NA	NA
+PJ028894	STQMMY 	C31H49N7O11S2	759.2932	NA	PeJP	NA	NA
+PJ028895	NNNDHF 	C31H41N11O12	759.2936	NA	PeJP	NA	NA
+PJ028896	GGNNDHF 	C31H41N11O12	759.2937	NA	PeJP	NA	NA
+PJ028897	SDDMHR 	C28H45N11O12S	759.297	NA	PeJP	NA	NA
+PJ028898	GGGGGGGGGPM 	C28H45N11O12S	759.2971	NA	PeJP	NA	NA
+PJ028899	GTEMHW 	C33H45N9O10S	759.301	NA	PeJP	NA	NA
+PJ028900	GGGSPPCW 	C33H45N9O10S	759.3011	NA	PeJP	NA	NA
+PJ028901	GSTTEEH 	C29H45N9O15	759.3035	NA	PeJP	NA	NA
+PJ028902	PDDEER 	C29H45N9O15	759.3036	NA	PeJP	NA	NA
+PJ028903	STCMRY 	C30H49N9O10S2	759.3044	NA	PeJP	NA	NA
+PJ028904	SNEHHH 	C30H41N13O11	759.3049	NA	PeJP	NA	NA
+PJ028905	NMFYW 	C38H45N7O8S	759.305	NA	PeJP	NA	NA
+PJ028906	GGMFYW 	C38H45N7O8S	759.3051	NA	PeJP	NA	NA
+PJ028907	APEEEW 	C34H45N7O13	759.3076	NA	PeJP	NA	NA
+PJ028908	GSSCNHR 	C27H45N13O11S	759.3083	NA	PeJP	NA	NA
+PJ028909	PCCKFY 	C35H49N7O8S2	759.3084	NA	PeJP	NA	NA
+PJ028910	GSTTTMY 	C31H49N7O13S	759.3109	NA	PeJP	NA	NA
+PJ028911	GKMMMY 	C32H53N7O8S3	759.3118	NA	PeJP	NA	NA
+MJ093451	Hydroxystreptomycin B 	C27H49N7O18	759.313407	NA	MeJP	NA	NA
+PJ028912	GSPNDDR 	C28H45N11O14	759.3148	NA	PeJP	NA	NA
+PJ028913	APPCCNR 	C29H49N11O9S2	759.3156	NA	PeJP	NA	NA
+PJ028914	GEMMHR 	C29H49N11O9S2	759.3157	NA	PeJP	NA	NA
+PJ028915	TMHWW 	C37H45N9O7S	759.3163	NA	PeJP	NA	NA
+PJ028916	STTEHW 	C33H45N9O12	759.3188	NA	PeJP	NA	NA
+PJ028917	GVMMHW 	C34H49N9O7S2	759.3197	NA	PeJP	NA	NA
+PJ028918	GSHHHW 	C34H41N13O8	759.3201	NA	PeJP	NA	NA
+PJ028919	SKEEMH 	C30H49N9O12S	759.3222	NA	PeJP	NA	NA
+PJ028920	TQYYW 	C38H45N7O10	759.3228	NA	PeJP	NA	NA
+PJ028921	AQMHHH 	C31H45N13O8S	759.3235	NA	PeJP	NA	NA
+PJ028922	NNNNER 	C27H45N13O13	759.326	NA	PeJP	NA	NA
+PJ028923	PPTEMW 	C35H49N7O10S	759.3262	NA	PeJP	NA	NA
+PJ028924	CCNKHR 	C28H49N13O8S2	759.3269	NA	PeJP	NA	NA
+3635	NA	YPFGFM~	759.3284	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ028925	SSTTTTY 	C31H49N7O15	759.3287	NA	PeJP	NA	NA
+PJ028926	STKMMY 	C32H53N7O10S2	759.3295	NA	PeJP	NA	NA
+PJ028927	GPPVEMM 	C32H53N7O10S2	759.3296	NA	PeJP	NA	NA
+PJ028928	GNQQQW 	C32H45N11O11	759.33	NA	PeJP	NA	NA
+PJ028929	GGGGGGVNW 	C32H45N11O11	759.3301	NA	PeJP	NA	NA
+PJ028930	MMHRW 	C33H49N11O6S2	759.3309	NA	PeJP	NA	NA
+PJ028931	STEMHR 	C29H49N11O11S	759.3334	NA	PeJP	NA	NA
+PJ028932	ASPNWW 	C37H45N9O9	759.334	NA	PeJP	NA	NA
+PJ028933	GSPQWW 	C37H45N9O9	759.3341	NA	PeJP	NA	NA
+PJ028934	ACHHHR 	C30H45N15O7S	759.3348	NA	PeJP	NA	NA
+PJ028935	SSLMHW 	C34H49N9O9S	759.3374	NA	PeJP	NA	NA
+PJ028936	NFFFW 	C42H45N7O7	759.3381	NA	PeJP	NA	NA
+PJ028937	PTEEER 	C30H49N9O14	759.3399	NA	PeJP	NA	NA
+PJ028938	GGGGAALEE 	C30H49N9O14	759.34	NA	PeJP	NA	NA
+PJ028939	PPEMMR 	C31H53N9O9S2	759.3408	NA	PeJP	NA	NA
+2800	peptide toxic from alpha-gliadin	QQPYPQ	759.341	NA	Inhouse_peptide	NA	peptide
+PJ028940	GNNNRW 	C31H45N13O10	759.3413	NA	PeJP	NA	NA
+PJ028941	SPLEEW 	C35H49N7O12	759.3439	NA	PeJP	NA	NA
+PJ028942	AAPPEEF 	C35H49N7O12	759.344	NA	PeJP	NA	NA
+PJ028943	PCNDRR 	C28H49N13O10S	759.3446	NA	PeJP	NA	NA
+PJ028944	GGPCDRR 	C28H49N13O10S	759.3447	NA	PeJP	NA	NA
+PJ028945	PPVMMW 	C36H53N7O7S2	759.3448	NA	PeJP	NA	NA
+PJ028946	DHFRW 	C36H45N11O8	759.3453	NA	PeJP	NA	NA
+MJ093452	Polyketoacidomycin 	C39H53NO14	759.346605	NA	MeJP	NA	NA
+PJ028947	AAPLEEM 	C32H53N7O12S	759.3473	NA	PeJP	NA	NA
+PJ028948	CRRYY 	C33H49N11O8S	759.3486	NA	PeJP	NA	NA
+PJ028949	GPNMRW 	C33H49N11O8S	759.3487	NA	PeJP	NA	NA
+PJ028950	SSSSQKH 	C29H49N11O13	759.3511	NA	PeJP	NA	NA
+PJ028951	AQQEER 	C29H49N11O13	759.3512	NA	PeJP	NA	NA
+PJ028952	SVMMHR 	C30H53N11O8S2	759.352	NA	PeJP	NA	NA
+PJ028953	SSHHHR 	C30H45N15O9	759.3525	NA	PeJP	NA	NA
+PJ028954	SPNKEW 	C34H49N9O11	759.3552	NA	PeJP	NA	NA
+PJ028955	GTTTLMH 	C31H53N9O11S	759.3585	NA	PeJP	NA	NA
+PJ028956	PVEEMR 	C31H53N9O11S	759.3586	NA	PeJP	NA	NA
+PJ028957	TKYYW 	C39H49N7O9	759.3592	NA	PeJP	NA	NA
+PJ028958	AKMHHH 	C32H49N13O7S	759.3599	NA	PeJP	NA	NA
+PJ028959	GNEERR 	C28H49N13O12	759.3624	NA	PeJP	NA	NA
+PJ028960	PVVEMW 	C36H53N7O9S	759.3626	NA	PeJP	NA	NA
+PJ028961	LLQEEE 	C32H53N7O14	759.3651	NA	PeJP	NA	NA
+PJ028962	APPTLMM 	C33H57N7O9S2	759.3659	NA	PeJP	NA	NA
+PJ028963	PPVTCLM 	C33H57N7O9S2	759.366	NA	PeJP	NA	NA
+PJ028964	AAQERW 	C33H49N11O10	759.3664	NA	PeJP	NA	NA
+MJ093453	Carboxymycobactins; Carboxymycobactin 2 	C37H53N5O12	759.369072	NA	MeJP	NA	NA
+PJ028965	PNDKMR 	C30H53N11O10S	759.3698	NA	PeJP	NA	NA
+PJ028966	GSPKWW 	C38H49N9O8	759.3704	NA	PeJP	NA	NA
+PJ028967	GGGVVWW 	C38H49N9O8	759.3705	NA	PeJP	NA	NA
+PJ028968	SNNNRR 	C27H49N15O11	759.3736	NA	PeJP	NA	NA
+PJ028969	GGGGGGSRR 	C27H49N15O11	759.3737	NA	PeJP	NA	NA
+PJ028970	APQKMW 	C35H53N9O8S	759.3738	NA	PeJP	NA	NA
+PJ028971	VVEEER 	C31H53N9O13	759.3763	NA	PeJP	NA	NA
+PJ028972	TLKMMH 	C32H57N9O8S2	759.3772	NA	PeJP	NA	NA
+PJ028973	NERRW 	C32H49N13O9	759.3776	NA	PeJP	NA	NA
+PJ028974	GGERRW 	C32H49N13O9	759.3777	NA	PeJP	NA	NA
+PJ028975	ALLEEW 	C36H53N7O11	759.3803	NA	PeJP	NA	NA
+PJ028976	SPNMRR 	C29H53N13O9S	759.381	NA	PeJP	NA	NA
+PJ028977	VNRWW 	C37H49N11O7	759.3817	NA	PeJP	NA	NA
+PJ028978	GPTLLEM 	C33H57N7O11S	759.3837	NA	PeJP	NA	NA
+PJ028979	APCKRW 	C34H53N11O7S	759.3851	NA	PeJP	NA	NA
+PJ028980	AQKEER 	C30H53N11O12	759.3875	NA	PeJP	NA	NA
+PJ028981	GAAKEER 	C30H53N11O12	759.3876	NA	PeJP	NA	NA
+PJ028982	GLQKEW 	C35H53N9O10	759.3916	NA	PeJP	NA	NA
+PJ028983	GRRWW 	C36H49N13O6	759.3929	NA	PeJP	NA	NA
+PJ028984	PQKKEM 	C32H57N9O10S	759.3949	NA	PeJP	NA	NA
+PJ028985	GGGPTLKM 	C32H57N9O10S	759.395	NA	PeJP	NA	NA
+PJ028986	PPVVYW 	C40H53N7O8	759.3956	NA	PeJP	NA	NA
+PJ028987	GDKERR 	C29H53N13O11	759.3988	NA	PeJP	NA	NA
+PJ028988	PTLLMW 	C37H57N7O8S	759.399	NA	PeJP	NA	NA
+PJ028989	LLKEEE 	C33H57N7O13	759.4015	NA	PeJP	NA	NA
+PJ028990	GPVLLMM 	C34H61N7O8S2	759.4023	NA	PeJP	NA	NA
+PJ028991	AAKERW 	C34H53N11O9	759.4028	NA	PeJP	NA	NA
+7027	synthetic peptide from alpha-gliadin	IILHQQQKQQQQ	759.405	MH2+	Inhouse_peptide	NA	peptide
+PJ028992	PTQKMR 	C31H57N11O9S	759.4062	NA	PeJP	NA	NA
+PJ028993	LQKWW 	C39H53N9O7	759.4068	NA	PeJP	NA	NA
+PJ028994	GSERRR 	C28H53N15O10	759.41	NA	PeJP	NA	NA
+PJ028995	APKKMW 	C36H57N9O7S	759.4102	NA	PeJP	NA	NA
+PJ028996	TLLEER 	C32H57N9O12	759.4127	NA	PeJP	NA	NA
+PJ028997	PLLMMR 	C33H61N9O7S2	759.4136	NA	PeJP	NA	NA
+PJ028998	DKRRW 	C33H53N13O8	759.414	NA	PeJP	NA	NA
+PJ028999	GGAPFRR 	C33H53N13O8	759.4141	NA	PeJP	NA	NA
+PJ029000	SLLLEW 	C37H57N7O10	759.4167	NA	PeJP	NA	NA
+PJ029001	GLQMRR 	C30H57N13O8S	759.4174	NA	PeJP	NA	NA
+PJ029002	AALLLEM 	C34H61N7O10S	759.4201	NA	PeJP	NA	NA
+PJ029003	AKKEER 	C31H57N11O11	759.4239	NA	PeJP	NA	NA
+PJ029004	GGGADKKK 	C31H57N11O11	759.424	NA	PeJP	NA	NA
+PJ029005	SRRRW 	C32H53N15O7	759.4253	NA	PeJP	NA	NA
+PJ029006	SVLQKW 	C36H57N9O9	759.4279	NA	PeJP	NA	NA
+PJ029007	GLKKEW 	C36H57N9O9	759.428	NA	PeJP	NA	NA
+PJ029008	AAMRRR 	C29H57N15O7S	759.4287	NA	PeJP	NA	NA
+PJ029009	VLLEMR 	C33H61N9O9S	759.4313	NA	PeJP	NA	NA
+PJ029010	PVVLFW 	C41H57N7O7	759.432	NA	PeJP	NA	NA
+PJ029011	ATKERR 	C30H57N13O10	759.4352	NA	PeJP	NA	NA
+PJ029012	VVLLMW 	C38H61N7O7S	759.4354	NA	PeJP	NA	NA
+PJ029013	ATTLLLE 	C34H61N7O12	759.4378	NA	PeJP	NA	NA
+PJ029014	VVTTLLD 	C34H61N7O12	759.4379	NA	PeJP	NA	NA
+PJ029015	GTLKRW 	C35H57N11O8	759.4392	NA	PeJP	NA	NA
+MJ093454	Erythromycin; Cyclic 11,12-carbonate 	C38H65NO14	759.440505	NA	MeJP	NA	NA
+MJ093455	Tylosin B; 20-Alcohol, 3C-O-de-Me 	C38H65NO14	759.440505	NA	MeJP	NA	NA
+PJ029016	PTKKMR 	C32H61N11O8S	759.4426	NA	PeJP	NA	NA
+PJ029017	LKKWW 	C40H57N9O6	759.4432	NA	PeJP	NA	NA
+PJ029018	ATTRRR 	C29H57N15O9	759.4464	NA	PeJP	NA	NA
+PJ029019	VKKKEE 	C33H61N9O11	759.4491	NA	PeJP	NA	NA
+PJ029020	GPKFRR 	C34H57N13O7	759.4504	NA	PeJP	NA	NA
+MJ093456	Anabaenopeptin I 	C38H61N7O9	759.453076	NA	MeJP	NA	NA
+PJ029021	AAPLLLY 	C38H61N7O9	759.4531	NA	PeJP	NA	NA
+PJ029022	GLKMRR 	C31H61N13O7S	759.4538	NA	PeJP	NA	NA
+PJ029023	GTLLLLM 	C35H65N7O9S	759.4565	NA	PeJP	NA	NA
+PJ029024	SLKKER 	C32H61N11O10	759.4603	NA	PeJP	NA	NA
+PJ029025	SVLKKW 	C37H61N9O8	759.4643	NA	PeJP	NA	NA
+PJ029026	GAPLKKF 	C37H61N9O8	759.4644	NA	PeJP	NA	NA
+PJ029027	LLQKKM 	C34H65N9O8S	759.4677	NA	PeJP	NA	NA
+PJ029028	SNKKKR 	C31H61N13O9	759.4715	NA	PeJP	NA	NA
+PJ029029	STLKRR 	C31H61N13O9	759.4716	NA	PeJP	NA	NA
+PJ029030	STTLLLL 	C35H65N7O11	759.4742	NA	PeJP	NA	NA
+PJ029031	LLLKHH 	C36H61N11O7	759.4756	NA	PeJP	NA	NA
+PJ029032	VVKKMR 	C33H65N11O7S	759.4789	NA	PeJP	NA	NA
+HMDB09137	PE(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09170	PE(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09201	PE(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09202	PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09393	PE(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09426	PE(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09457	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+HMDB09458	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	C43H70NO8P	759.483887	NA	HMDB2010	NA	NA
+PJ029033	GTTLLKK 	C34H65N9O10	759.4855	NA	PeJP	NA	NA
+PJ029034	AALLLLF 	C39H65N7O8	759.4895	NA	PeJP	NA	NA
+PJ029035	TQKKKK 	C33H65N11O9	759.4967	NA	PeJP	NA	NA
+PJ029036	VLLLFR 	C38H65N9O7	759.5007	NA	PeJP	NA	NA
+PJ029037	LLKKKM 	C35H69N9O7S	759.5041	NA	PeJP	NA	NA
+HMDB12358	PS(16:0/18:2(9Z,12Z))	C40H74NO10P	759.505005	NA	HMDB2010	NA	NA
+HMDB12368	PS(16:1(9Z)/18:1(9Z))	C40H74NO10P	759.505005	NA	HMDB2010	NA	NA
+HMDB12388	PS(18:1(9Z)/16:1(9Z))	C40H74NO10P	759.505005	NA	HMDB2010	NA	NA
+HMDB12398	PS(18:2(9Z,12Z)/16:0)	C40H74NO10P	759.505005	NA	HMDB2010	NA	NA
+PJ029038	TKKKKK 	C34H69N11O8	759.5331	NA	PeJP	NA	NA
+MJ093457	Phosphatidylcholine; Glycerol 1-hexadecanoate 2-(9-octadecenoate) 3-phosphocholine 	C42H82NO8P	759.577805	NA	MeJP	NA	NA
+EUR939	PC 34:1 monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1029	16:0-18:1 PC monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR939	PC 34:1 monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1029	16:0-18:1 PC monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR939	PC 34:1 monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1029	16:0-18:1 PC monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR939	PC 34:1 monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1029	16:0-18:1 PC monoisotopic mass 	C42H82NO8P	759.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07879	PC(14:0/20:1(11Z))	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB07911	PC(14:1(9Z)/20:0)	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB07971	PC(16:0/18:1(11Z))	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB07972	PC(16:0/18:1(9Z))	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08003	PC(16:1(9Z)/18:0)	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08035	PC(18:0/16:1(9Z))	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08067	PC(18:1(11Z)/16:0)	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08100	PC(18:1(9Z)/16:0)	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08263	PC(20:0/14:1(9Z))	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08295	PC(20:1(11Z)/14:0)	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB08908	PE(15:0/22:1(13Z))	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+HMDB09516	PE(22:1(13Z)/15:0)	C42H82NO8P	759.57782	NA	HMDB2010	NA	NA
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR544	16 :0-18 :1 PC F1	NA	759.578725	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB09247	PE(20:0/dm18:0)	C43H86NO7P	759.614197	NA	HMDB2010	NA	NA
+HMDB09510	PE(22:0/P-16:0)	C43H86NO7P	759.614197	NA	HMDB2010	NA	NA
+HMDB11355	PE(P-16:0/22:0)	C43H86NO7P	759.614197	NA	HMDB2010	NA	NA
+HMDB11380	PE(P-18:0/20:0)	C43H86NO7P	759.614197	NA	HMDB2010	NA	NA
+MJ093458	Vidalol B 	C20H13Br5O7	759.657816	NA	MeJP	NA	NA
+8110	peptide derived from tuna backbone protein	VKAGFAWTANQQLS	759.88145	MH2+	Inhouse_peptide	NA	peptide
+8209	RL-Y6C10/G6G10 - synthetic peptide	AMRLTGNRPGLYAT	759.88915	MH2+	Inhouse_peptide	NA	peptide
+8211	RL-C10Y12/G10G12 - synthetic peptide	AMRLTYNRPGLGAT	759.88915	MH2+	Inhouse_peptide	NA	peptide
+MJ093459	Chaetocin C 	C30H28N6O6S6	760.039456	NA	MeJP	NA	NA
+MJ093460	1,2,3-Trigalloylglucose; ?-D-Pyranose-form, 3'-O-(3,4,5-Trihydroxyphenyl) 	C33H28O21	760.112307	NA	MeJP	NA	NA
+MJ093461	Prodelphinidin A2; 3'-O-(3,4,5-Trihydroxybenzoyl) 	C37H28O18	760.127564	NA	MeJP	NA	NA
+MJ093462	Samarangenin A 	C37H28O18	760.127564	NA	MeJP	NA	NA
+PJ029039	SCCCCNE 	C24H40N8O12S4	760.1649	NA	PeJP	NA	NA
+PJ029040	GSCCCCW 	C28H40N8O9S4	760.1801	NA	PeJP	NA	NA
+PJ029041	GSSSCCCD 	C24H40N8O14S3	760.1826	NA	PeJP	NA	NA
+PJ029042	GCCCNMM 	C25H44N8O9S5	760.1835	NA	PeJP	NA	NA
+PJ029043	ACCCCCR 	C24H44N10O8S5	760.1947	NA	PeJP	NA	NA
+PJ029044	GCCCNDF 	C28H40N8O11S3	760.1979	NA	PeJP	NA	NA
+PJ029045	SSCCCQM 	C25H44N8O11S4	760.2013	NA	PeJP	NA	NA
+PJ029046	CDDDMY 	C29H40N6O14S2	760.2044	NA	PeJP	NA	NA
+PJ029047	CDMMMM 	C27H48N6O9S5	760.2087	NA	PeJP	NA	NA
+PJ029048	SSCCCCR 	C24H44N10O10S4	760.2125	NA	PeJP	NA	NA
+PJ029049	GSCCNDY 	C28H40N8O13S2	760.2157	NA	PeJP	NA	NA
+PJ029050	GSSSSCCM 	C25H44N8O13S3	760.219	NA	PeJP	NA	NA
+PJ029051	ACCCCKM 	C26H48N8O8S5	760.2199	NA	PeJP	NA	NA
+MJ093463	Oleuropein; 10-Hydroxy, 6'-(3,4-dihydroxy-E-cinnamoyl), 3''-Ac 	C36H40O18	760.221464	NA	MeJP	NA	NA
+PJ029052	CCEEMF 	C30H44N6O11S3	760.223	NA	PeJP	NA	NA
+PJ029053	CDDMMF 	C30H44N6O11S3	760.2231	NA	PeJP	NA	NA
+PJ029054	CCMMHH 	C28H44N10O7S4	760.2278	NA	PeJP	NA	NA
+PJ029055	DDDEMH 	C28H40N8O15S	760.2334	NA	PeJP	NA	NA
+PJ029056	CCNQMY 	C29H44N8O10S3	760.2343	NA	PeJP	NA	NA
+PJ029057	SSSSSTCC 	C25H44N8O15S2	760.2368	NA	PeJP	NA	NA
+PJ029058	CDDDFF 	C33H40N6O13S	760.2374	NA	PeJP	NA	NA
+PJ029059	SSCCCKM 	C26H48N8O10S4	760.2377	NA	PeJP	NA	NA
+PJ029060	GCCNNNH 	C26H40N12O11S2	760.2381	NA	PeJP	NA	NA
+PJ029061	GGGGGGGCCH 	C26H40N12O11S2	760.2382	NA	PeJP	NA	NA
+PJ029062	SDDMMY 	C30H44N6O13S2	760.2408	NA	PeJP	NA	NA
+PJ029063	CCDHHF 	C31H40N10O9S2	760.2422	NA	PeJP	NA	NA
+MJ093464	3,3',4',5,7-Pentahydroxyflavan, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H44O20	760.242593	NA	MeJP	NA	NA
+PJ029064	ASCNDDH 	C27H40N10O14S	760.2446	NA	PeJP	NA	NA
+PJ029065	GSCNDEH 	C27H40N10O14S	760.2447	NA	PeJP	NA	NA
+PJ029066	SMMMMM 	C28H52N6O8S5	760.245	NA	PeJP	NA	NA
+PJ029067	CCCNRY 	C28H44N10O9S3	760.2455	NA	PeJP	NA	NA
+PJ029068	GPNDDDE 	C28H40N8O17	760.2512	NA	PeJP	NA	NA
+PJ029069	GSSCNMY 	C29H44N8O12S2	760.252	NA	PeJP	NA	NA
+PJ029070	GDDEYY 	C33H40N6O15	760.2552	NA	PeJP	NA	NA
+PJ029071	PCCEFY 	C34H44N6O10S2	760.2561	NA	PeJP	NA	NA
+FL5FABGI0019	Epimedoside	C37H44O17	760.25784	106441-31-0	knapsack	NA	NA
+MJ093465	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[6-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] 	C37H44O17	760.257849	NA	MeJP	NA	NA
+PJ029072	GEMMMY 	C31H48N6O10S3	760.2594	NA	PeJP	NA	NA
+PJ029073	SCNDHW 	C31H40N10O11S	760.2599	NA	PeJP	NA	NA
+PJ029074	SSSNDDH 	C27H40N10O16	760.2624	NA	PeJP	NA	NA
+PJ029075	NNDMMH 	C28H44N10O11S2	760.2633	NA	PeJP	NA	NA
+PJ029076	PNDDDW 	C32H40N8O14	760.2664	NA	PeJP	NA	NA
+PJ029077	CCNQFF 	C33H44N8O9S2	760.2673	NA	PeJP	NA	NA
+PJ029078	SSSSCQY 	C29H44N8O14S	760.2698	NA	PeJP	NA	NA
+PJ029079	DDYYW 	C37H40N6O12	760.2704	NA	PeJP	NA	NA
+PJ029080	CCNKMY 	C30H48N8O9S3	760.2707	NA	PeJP	NA	NA
+MJ093466	3,3',4,5',7,9,9'-Heptahydroxy-8,4'-oxyneolignan, 3,3',5'-Tri-Me ether, 9,9'-bis-O-(4-hydroxy-3-methoxycinnamoyl)(E-) 	C41H44O14	760.273106	NA	MeJP	NA	NA
+PJ029081	GNNNNND 	C26H40N12O15	760.2736	NA	PeJP	NA	NA
+PJ029082	GGGGGNNND 	C26H40N12O15	760.2737	NA	PeJP	NA	NA
+PJ029083	SPCEYY 	C34H44N6O12S	760.2738	NA	PeJP	NA	NA
+PJ029084	CCNEHR 	C27H44N12O10S2	760.2745	NA	PeJP	NA	NA
+PJ029085	MMMYW 	C35H48N6O7S3	760.2747	NA	PeJP	NA	NA
+PJ029086	PEEEEE 	C30H44N6O17	760.2763	NA	PeJP	NA	NA
+PJ029087	STEMMY 	C31H48N6O12S2	760.2772	NA	PeJP	NA	NA
+PJ029088	NNDDHF 	C31H40N10O13	760.2777	NA	PeJP	NA	NA
+PJ029089	AMMMMF 	C32H52N6O7S4	760.2781	NA	PeJP	NA	NA
+PJ029090	GCQMHW 	C32H44N10O8S2	760.2785	NA	PeJP	NA	NA
+MJ093467	Caeruleoside A 	C34H48O19	760.278979	NA	MeJP	NA	NA
+PJ029091	GSSNEMH 	C28H44N10O13S	760.281	NA	PeJP	NA	NA
+PJ029092	GGGGGPNDM 	C28H44N10O13S	760.2811	NA	PeJP	NA	NA
+PJ029093	APCCCKH 	C29H48N10O8S3	760.2819	NA	PeJP	NA	NA
+PJ029094	CNNHHH 	C29H40N14O9S	760.2824	NA	PeJP	NA	NA
+PJ029095	GNNMYY 	C33H44N8O11S	760.285	NA	PeJP	NA	NA
+PJ029096	GSPPCDW 	C33H44N8O11S	760.2851	NA	PeJP	NA	NA
+PJ029097	GSSSSSSY 	C29H44N8O16	760.2875	NA	PeJP	NA	NA
+PJ029098	GSPNEEE 	C29H44N8O16	760.2876	NA	PeJP	NA	NA
+MJ093468	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1,2,8,9-Tetrabenzoyl, 6-Ac 	C45H44O11	760.288362	NA	MeJP	NA	NA
+MJ093469	Albanin G 	C45H44O11	760.288362	NA	MeJP	NA	NA
+MJ093470	Brosimone D 	C45H44O11	760.288362	NA	MeJP	NA	NA
+MJ093471	Kuwanon N 	C45H44O11	760.288362	NA	MeJP	NA	NA
+MJ093472	Moracenin C 	C45H44O11	760.288362	NA	MeJP	NA	NA
+C10100	Kuwanone H	C45H44O11	760.2884	NA	KEGG	NA	NA
+PJ029099	GSTCCKY 	C30H48N8O11S2	760.2884	NA	PeJP	NA	NA
+PJ029100	SDEHHH 	C30H40N12O12	760.2889	NA	PeJP	NA	NA
+PJ029101	DMFYW 	C38H44N6O9S	760.2891	NA	PeJP	NA	NA
+PJ029102	GCCHRW 	C31H44N12O7S2	760.2898	NA	PeJP	NA	NA
+PJ029103	GTEEYY 	C34H44N6O14	760.2916	NA	PeJP	NA	NA
+PJ029104	GSSCDHR 	C27H44N12O12S	760.2923	NA	PeJP	NA	NA
+PJ029105	GPMMYY 	C35H48N6O9S2	760.2924	NA	PeJP	NA	NA
+PJ029106	GEMMFF 	C35H48N6O9S2	760.2925	NA	PeJP	NA	NA
+HMDB10332	Bilirubin glucuronide	C39H44N4O12	760.295593	NA	HMDB2010	NA	NA
+C03374	Bilirubin-glucuronoside	C39H44N4O12	760.2956	NA	KEGG	NA	NA
+PJ029107	SVMMMY 	C32H52N6O9S3	760.2958	NA	PeJP	NA	NA
+PJ029108	SSNMHW 	C32H44N10O10S	760.2963	NA	PeJP	NA	NA
+PJ029109	GSPDDDR 	C28H44N10O15	760.2988	NA	PeJP	NA	NA
+PJ029110	SQQMMH 	C29H48N10O10S2	760.2996	NA	PeJP	NA	NA
+PJ029111	GPPCCER 	C29H48N10O10S2	760.2997	NA	PeJP	NA	NA
+PJ029112	SPNEEW 	C33H44N8O13	760.3028	NA	PeJP	NA	NA
+PJ029113	PPCQMW 	C34H48N8O8S2	760.3037	NA	PeJP	NA	NA
+PJ029114	SSSSCKY 	C30H48N8O13S	760.3062	NA	PeJP	NA	NA
+PJ029115	TEYYW 	C38H44N6O11	760.3068	NA	PeJP	NA	NA
+PJ029116	AEMHHH 	C31H44N12O9S	760.3075	NA	PeJP	NA	NA
+PJ029117	MMFFW 	C39H48N6O6S2	760.3077	NA	PeJP	NA	NA
+MJ093473	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 13-Cinnamoyl, 9-benzoyl, 2,4,7-tri-Ac 	C42H48O13	760.309491	NA	MeJP	NA	NA
+PJ029118	NNNDER 	C27H44N12O14	760.31	NA	PeJP	NA	NA
+PJ029119	GGGGGGGGGTQ 	C27H44N12O14	760.3101	NA	PeJP	NA	NA
+PJ029120	GVEMYY 	C35H48N6O11S	760.3102	NA	PeJP	NA	NA
+PJ029121	SCQMHR 	C28H48N12O9S2	760.3109	NA	PeJP	NA	NA
+PJ029122	ACHHFF 	C36H44N10O7S	760.3115	NA	PeJP	NA	NA
+MJ093474	Pipecuronium(2+); Dibromide 	C35H62Br2N4O4	760.313781	NA	MeJP	NA	NA
+PJ029123	GSSSTHW 	C32H44N10O12	760.314	NA	PeJP	NA	NA
+PJ029124	GGGGAQEW 	C32H44N10O12	760.3141	NA	PeJP	NA	NA
+PJ029125	PPCCRW 	C33H48N10O7S2	760.3149	NA	PeJP	NA	NA
+MJ093475	Anodendrosin E 	C35H52O18	760.315364	NA	MeJP	NA	NA
+PJ029126	PNDEMR 	C29H48N10O12S	760.3174	NA	PeJP	NA	NA
+PJ029127	GSPEWW 	C37H44N8O10	760.3181	NA	PeJP	NA	NA
+PJ029128	APQEMW 	C34H48N8O10S	760.3214	NA	PeJP	NA	NA
+PJ029129	GGPVDMW 	C34H48N8O10S	760.3215	NA	PeJP	NA	NA
+PJ029130	DFFFW 	C42H44N6O8	760.3221	NA	PeJP	NA	NA
+PJ029131	VQQEEE 	C30H48N8O15	760.3239	NA	PeJP	NA	NA
+PJ029132	GGLQEEE 	C30H48N8O15	760.324	NA	PeJP	NA	NA
+PJ029133	TLEMMH 	C31H52N8O10S2	760.3248	NA	PeJP	NA	NA
+PJ029134	GNNDRW 	C31H44N12O11	760.3253	NA	PeJP	NA	NA
+PJ029135	VMYYW 	C39H48N6O8S	760.3255	NA	PeJP	NA	NA
+PJ029136	GHHHHH 	C32H40N16O7	760.3266	NA	PeJP	NA	NA
+PJ029137	SSLEYY 	C35H48N6O13	760.328	NA	PeJP	NA	NA
+PJ029138	GSSSMHR 	C28H48N12O11S	760.3286	NA	PeJP	NA	NA
+PJ029139	PCDDRR 	C28H48N12O11S	760.3287	NA	PeJP	NA	NA
+PJ029140	GLMMFY 	C36H52N6O8S2	760.3288	NA	PeJP	NA	NA
+PJ029141	NQQWW 	C36H44N10O9	760.3293	NA	PeJP	NA	NA
+PJ029142	GPDMRW 	C33H48N10O9S	760.3327	NA	PeJP	NA	NA
+PJ029143	SPWWW 	C41H44N8O7	760.3333	NA	PeJP	NA	NA
+PJ029144	AQEEER 	C29H48N10O14	760.3352	NA	PeJP	NA	NA
+PJ029145	GPPTCMR 	C30H52N10O9S2	760.336	NA	PeJP	NA	NA
+PJ029146	GGTKMMH 	C30H52N10O9S2	760.3361	NA	PeJP	NA	NA
+MJ093476	Cyclo(3-aminoalanylleucylmethionyl-?-aspartyltryptophylalanyl) cyclic(4?1)peptide 	C38H48N8O7S	760.336666	NA	MeJP	NA	NA
+PJ029147	AAPMWW 	C38H48N8O7S	760.3367	NA	PeJP	NA	NA
+PJ029148	GLQEEW 	C34H48N8O12	760.3392	NA	PeJP	NA	NA
+PJ029149	PPCKMW 	C35H52N8O7S2	760.3401	NA	PeJP	NA	NA
+PJ029150	GPQHHW 	C35H44N12O8	760.3405	NA	PeJP	NA	NA
+PJ029151	PQKEEM 	C31H52N8O12S	760.3426	NA	PeJP	NA	NA
+PJ029152	GPVYYY 	C39H48N6O10	760.3432	NA	PeJP	NA	NA
+PJ029153	VLMMMH 	C32H56N8O7S3	760.3434	NA	PeJP	NA	NA
+PJ029154	GNMHFR 	C32H48N12O8S	760.3439	NA	PeJP	NA	NA
+PJ029155	GDEERR 	C28H48N12O13	760.3464	NA	PeJP	NA	NA
+PJ029156	ATLMYY 	C36H52N6O10S	760.3466	NA	PeJP	NA	NA
+PJ029157	SCKMHR 	C29H52N12O8S2	760.3473	NA	PeJP	NA	NA
+PJ029158	LLEEEE 	C32H52N6O15	760.3491	NA	PeJP	NA	NA
+PJ029159	AAEERW 	C33H48N10O11	760.3504	NA	PeJP	NA	NA
+PJ029160	GGGGAKEW 	C33H48N10O11	760.3505	NA	PeJP	NA	NA
+PJ029161	PPHHHH 	C34H44N14O7	760.3518	NA	PeJP	NA	NA
+PJ029162	PTQEMR 	C30H52N10O11S	760.3538	NA	PeJP	NA	NA
+PJ029163	LQEWW 	C38H48N8O9	760.3544	NA	PeJP	NA	NA
+PJ029164	GALEWW 	C38H48N8O9	760.3545	NA	PeJP	NA	NA
+MJ093477	Disorazole B1; 9',10'-Diol 	C42H52N2O11	760.35711	NA	MeJP	NA	NA
+MJ093478	Nicaustrine; N3'-De-Me 	C42H52N2O11	760.35711	NA	MeJP	NA	NA
+PJ029165	SNNDRR 	C27H48N14O12	760.3576	NA	PeJP	NA	NA
+PJ029166	GGGGSDRR 	C27H48N14O12	760.3577	NA	PeJP	NA	NA
+PJ029167	APKEMW 	C35H52N8O9S	760.3578	NA	PeJP	NA	NA
+PJ029168	VFFYW 	C43H48N6O7	760.3585	NA	PeJP	NA	NA
+PJ029169	VQKEEE 	C31H52N8O14	760.3603	NA	PeJP	NA	NA
+PJ029170	GPPTKMM 	C32H56N8O9S2	760.3612	NA	PeJP	NA	NA
+PJ029171	DERRW 	C32H48N12O10	760.3617	NA	PeJP	NA	NA
+PJ029172	GLMFFF 	C40H52N6O7S	760.3619	NA	PeJP	NA	NA
+PJ029173	TTTLYY 	C36H52N6O12	760.3643	NA	PeJP	NA	NA
+PJ029174	SPDMRR 	C29H52N12O10S	760.365	NA	PeJP	NA	NA
+PJ029175	GGGGVQMR 	C29H52N12O10S	760.3651	NA	PeJP	NA	NA
+PJ029176	VDRWW 	C37H48N10O8	760.3657	NA	PeJP	NA	NA
+MJ093479	Acteol; 7,8-Didehydro, 12-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) 	C40H56O14	760.367006	NA	MeJP	NA	NA
+PJ029177	APTMRW 	C34H52N10O8S	760.3691	NA	PeJP	NA	NA
+PJ029178	ALWWW 	C42H48N8O6	760.3697	NA	PeJP	NA	NA
+PJ029179	SSSPQQK 	C30H52N10O13	760.3715	NA	PeJP	NA	NA
+PJ029180	AKEEER 	C30H52N10O13	760.3716	NA	PeJP	NA	NA
+PJ029181	PVQMMR 	C31H56N10O8S2	760.3724	NA	PeJP	NA	NA
+PJ029182	SPQHHR 	C31H48N14O9	760.3729	NA	PeJP	NA	NA
+PJ029183	GLKEEW 	C35H52N8O11	760.3756	NA	PeJP	NA	NA
+PJ029184	GNQMRR 	C28H52N14O9S	760.3763	NA	PeJP	NA	NA
+PJ029185	GPKHHW 	C36H48N12O7	760.3769	NA	PeJP	NA	NA
+PJ029186	SPPTTKM 	C32H56N8O11S	760.3789	NA	PeJP	NA	NA
+PJ029187	PKKEEM 	C32H56N8O11S	760.379	NA	PeJP	NA	NA
+PJ029188	GVLFYY 	C40H52N6O9	760.3796	NA	PeJP	NA	NA
+PJ029189	ACKHFR 	C33H52N12O7S	760.3803	NA	PeJP	NA	NA
+PJ029190	ATEERR 	C29H52N12O12	760.3828	NA	PeJP	NA	NA
+PJ029191	APMMRR 	C30H56N12O7S2	760.3837	NA	PeJP	NA	NA
+PJ029192	GTLERW 	C34H52N10O10	760.3868	NA	PeJP	NA	NA
+PJ029193	GCNRRR 	C27H52N16O8S	760.3875	NA	PeJP	NA	NA
+PJ029194	PTKEMR 	C31H56N10O10S	760.3902	NA	PeJP	NA	NA
+PJ029195	LKEWW 	C39H52N8O8	760.3908	NA	PeJP	NA	NA
+PJ029196	GAAPLFW 	C39H52N8O8	760.3909	NA	PeJP	NA	NA
+PJ029197	SSQQRR 	C28H52N14O11	760.394	NA	PeJP	NA	NA
+PJ029198	SPLKMW 	C36H56N8O8S	760.3942	NA	PeJP	NA	NA
+PJ029199	VKKEEE 	C32H56N8O13	760.3967	NA	PeJP	NA	NA
+PJ029200	AAPLKMM 	C33H60N8O8S2	760.3976	NA	PeJP	NA	NA
+PJ029201	SSKHFR 	C33H52N12O9	760.398	NA	PeJP	NA	NA
+PJ029202	GSQKRW 	C33H52N12O9	760.3981	NA	PeJP	NA	NA
+PJ029203	GLEMRR 	C30H56N12O9S	760.4014	NA	PeJP	NA	NA
+PJ029204	TLRWW 	C38H52N10O7	760.4021	NA	PeJP	NA	NA
+PJ029205	GVLMRW 	C35H56N10O7S	760.4055	NA	PeJP	NA	NA
+PJ029206	SLKEER 	C31H56N10O12	760.4079	NA	PeJP	NA	NA
+PJ029207	VTKEER 	C31H56N10O12	760.408	NA	PeJP	NA	NA
+PJ029208	PVKMMR 	C32H60N10O7S2	760.4088	NA	PeJP	NA	NA
+PJ029209	SPKHHR 	C32H52N14O8	760.4093	NA	PeJP	NA	NA
+PJ029210	SVLKEW 	C36H56N8O10	760.412	NA	PeJP	NA	NA
+PJ029211	GNKMRR 	C29H56N14O8S	760.4127	NA	PeJP	NA	NA
+PJ029212	PFRRW 	C37H52N12O6	760.4133	NA	PeJP	NA	NA
+PJ029213	LLQKEM 	C33H60N8O10S	760.4153	NA	PeJP	NA	NA
+PJ029214	GALLKEM 	C33H60N8O10S	760.4154	NA	PeJP	NA	NA
+PJ029215	LMRRW 	C34H56N12O6S	760.4167	NA	PeJP	NA	NA
+PJ029216	STLERR 	C30H56N12O11	760.4192	NA	PeJP	NA	NA
+MJ093480	Conodurine; 3-(2-Oxopropyl) 	C46H56N4O6	760.419985	NA	MeJP	NA	NA
+PJ029217	GVHHRR 	C31H52N16O7	760.4205	NA	PeJP	NA	NA
+PJ029218	SSLLRW 	C35H56N10O9	760.4232	NA	PeJP	NA	NA
+MJ093481	3,14-Clerodadiene-6,13-diol, 13-O-[?-D-Fucopyranosyl-(1?2)-?-L-rhamnopyranoside], 6-O-glucopyranoside 	C38H64O15	760.424521	NA	MeJP	NA	NA
+MJ093482	Furostane-1,2,3,22,26-pentol, 1-O-?-L-Arabinopyranoside, 26-O-?-D-glucopyranoside 	C38H64O15	760.424521	NA	MeJP	NA	NA
+PJ029219	VVKEMR 	C32H60N10O9S	760.4266	NA	PeJP	NA	NA
+PJ029220	APLKFW 	C40H56N8O7	760.4272	NA	PeJP	NA	NA
+PJ029221	SSQKRR 	C29H56N14O10	760.4304	NA	PeJP	NA	NA
+PJ029222	ALLKMW 	C37H60N8O7S	760.4306	NA	PeJP	NA	NA
+PJ029223	HHRRR 	C30H52N18O6	760.4318	NA	PeJP	NA	NA
+PJ029224	GTTLLKE 	C33H60N8O12	760.4331	NA	PeJP	NA	NA
+PJ029225	GSKKRW 	C34H56N12O8	760.4344	NA	PeJP	NA	NA
+PJ029226	GPPVVHR 	C34H56N12O8	760.4345	NA	PeJP	NA	NA
+PJ029227	SVLMRR 	C31H60N12O8S	760.4378	NA	PeJP	NA	NA
+MJ093483	Antibiotic SF 2487 	C42H64O12	760.439777	NA	MeJP	NA	NA
+C11974	Avermectin A2a monosaccharide	C42H64O12	760.4398	NA	KEGG	NA	NA
+PJ029228	GTTTLLR 	C32H60N10O11	760.4443	NA	PeJP	NA	NA
+PJ029229	PPVHRR 	C33H56N14O7	760.4457	NA	PeJP	NA	NA
+PJ029230	TTLLKW 	C37H60N8O9	760.4484	NA	PeJP	NA	NA
+PJ029231	ACKKRR 	C30H60N14O7S	760.449	NA	PeJP	NA	NA
+PJ029232	LLKKEM 	C34H64N8O9S	760.4517	NA	PeJP	NA	NA
+PJ029233	SDKKKR 	C31H60N12O10	760.4556	NA	PeJP	NA	NA
+PJ029234	ATKKKW 	C36H60N10O8	760.4596	NA	PeJP	NA	NA
+MJ093484	Cholestane-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C39H68O14	760.460906	NA	MeJP	NA	NA
+MJ093485	Cholestane-3,4,6,8,15,24-hexol, 3-O-(2,4-Di-O-methyl-?-D-xylopyranoside), 24-O-?-L-arabinofuranoside 	C39H68O14	760.460906	NA	MeJP	NA	NA
+MJ093486	Cholestane-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C39H68O14	760.460906	NA	MeJP	NA	NA
+MJ093487	Cholestane-3,4,6,8,15,24-hexol, 24-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?5)-?-L-arabinofuranoside] 	C39H68O14	760.460906	NA	MeJP	NA	NA
+MJ093488	Cholestane-3,6,7,8,15,24-hexol, 24-O-[4-O-Methyl-?-D-xylopyranosyl-(1?2)-3-O-methyl-?-D-xylopyranoside] 	C39H68O14	760.460906	NA	MeJP	NA	NA
+MJ093489	Stigmastane-3,4,6,8,15,29-hexol, 29-O-[?-D-Xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C39H68O14	760.460906	NA	MeJP	NA	NA
+PJ029235	TLLKMR 	C33H64N10O8S	760.463	NA	PeJP	NA	NA
+PJ029236	SSKKRR 	C30H60N14O9	760.4668	NA	PeJP	NA	NA
+PJ029237	SSTLLLK 	C34H64N8O11	760.4695	NA	PeJP	NA	NA
+PJ029238	GLLFRR 	C35H60N12O7	760.4708	NA	PeJP	NA	NA
+PJ029239	AKKKMR 	C32H64N12O7S	760.4742	NA	PeJP	NA	NA
+PJ029240	TKKKKE 	C33H64N10O10	760.4807	NA	PeJP	NA	NA
+PJ029241	PLLKKY 	C38H64N8O8	760.4847	NA	PeJP	NA	NA
+PJ029242	GALLLKF 	C38H64N8O8	760.4848	NA	PeJP	NA	NA
+PJ029243	TTKKKR 	C32H64N12O9	760.492	NA	PeJP	NA	NA
+PJ029244	VVLKFR 	C37H64N10O7	760.496	NA	PeJP	NA	NA
+PJ029245	VKKKKM 	C34H68N10O7S	760.4994	NA	PeJP	NA	NA
+MJ093490	Oligomycin D; 12-Deoxy 	C44H72O10	760.512548	NA	MeJP	NA	NA
+PJ029246	LLLKKF 	C39H68N8O7	760.5211	NA	PeJP	NA	NA
+C13875	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	C42H83NO8P	760.5856	NA	KEGG	NA	NA
+HMDB12090	SM(d18:0/20:0)	C43H89N2O6P	760.645813	NA	HMDB2010	NA	NA
+EUR1049	SM(d18:0/20:0) monoisotopic mass 	C43H89N2O6P	760.645826	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1049	SM(d18:0/20:0) monoisotopic mass 	C43H89N2O6P	760.645826	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1049	SM(d18:0/20:0) monoisotopic mass 	C43H89N2O6P	760.645826	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1049	SM(d18:0/20:0) monoisotopic mass 	C43H89N2O6P	760.645826	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07645	DG(22:1(13Z)/24:1(15Z)/0:0)	C49H92O5	760.694458	NA	HMDB2010	NA	NA
+HMDB07673	DG(22:2(13Z,16Z)/24:0/0:0)	C49H92O5	760.694458	NA	HMDB2010	NA	NA
+HMDB07813	DG(24:0/22:2(13Z,16Z)/0:0)	C49H92O5	760.694458	NA	HMDB2010	NA	NA
+HMDB07841	DG(24:1(15Z)/22:1(13Z)/0:0)	C49H92O5	760.694458	NA	HMDB2010	NA	NA
+MJ093491	1-Hexacosanol; Hexacosanoyl 	C52H104O2	760.803632	NA	MeJP	NA	NA
+MJ093492	1-Pentacontanol; Ac 	C52H104O2	760.803632	NA	MeJP	NA	NA
+MJ093493	1-Tetracosanol; Octacosanoyl 	C52H104O2	760.803632	NA	MeJP	NA	NA
+MJ093494	4,5-Epoxy-26-dopentacontanol 	C52H104O2	760.803632	NA	MeJP	NA	NA
+3862	vespa-like peptide from V, Orientalis	FLPLILGKLVKGLL~	761.011	MH2+	Inhouse_peptide	NA	peptide
+MJ093495	Diazonamide B 	C35H26BrCl2N5O6	761.044351	NA	MeJP	NA	NA
+PJ029247	CCCCCNN 	C23H39N9O10S5	761.1424	NA	PeJP	NA	NA
+PJ029248	SCCCCDE 	C24H39N7O13S4	761.1489	NA	PeJP	NA	NA
+PJ029249	PCCCCCM 	C25H43N7O8S6	761.1498	NA	PeJP	NA	NA
+PJ029250	GCCCDMM 	C25H43N7O10S5	761.1675	NA	PeJP	NA	NA
+PJ029251	GCCCDDF 	C28H39N7O12S3	761.1819	NA	PeJP	NA	NA
+PJ029252	SSCCCEM 	C25H43N7O12S4	761.1853	NA	PeJP	NA	NA
+PJ029253	GCCCCHH 	C26H39N11O8S4	761.1866	NA	PeJP	NA	NA
+PJ029254	GSCCDDY 	C28H39N7O14S2	761.1997	NA	PeJP	NA	NA
+PJ029255	APCCCCY 	C29H43N7O9S4	761.2005	NA	PeJP	NA	NA
+PJ029256	GSCCMMM 	C26H47N7O9S5	761.2039	NA	PeJP	NA	NA
+PJ029257	PPCCCCH 	C28H43N9O8S4	761.2118	NA	PeJP	NA	NA
+PJ029258	CCNEMY 	C29H43N7O11S3	761.2183	NA	PeJP	NA	NA
+PJ029259	SSTCCMM 	C26H47N7O11S4	761.2217	NA	PeJP	NA	NA
+PJ029260	GCCNNDH 	C26H39N11O12S2	761.2221	NA	PeJP	NA	NA
+PJ029261	GGGCCNDH 	C26H39N11O12S2	761.2222	NA	PeJP	NA	NA
+PJ029262	GSCDDEH 	C27H39N9O15S	761.2287	NA	PeJP	NA	NA
+PJ029263	CCCDRY 	C28H43N9O10S3	761.2295	NA	PeJP	NA	NA
+PJ029264	GCCMYW 	C33H43N7O8S3	761.2336	NA	PeJP	NA	NA
+PJ029265	GPDDDDE 	C28H39N7O18	761.2352	NA	PeJP	NA	NA
+PJ029266	GSSCDMY 	C29H43N7O13S2	761.2361	NA	PeJP	NA	NA
+PJ029267	CCQMMF 	C30H47N7O8S4	761.2369	NA	PeJP	NA	NA
+PJ029268	SCDDHW 	C31H39N9O12S	761.2439	NA	PeJP	NA	NA
+PJ029269	SSSDDDH 	C27H39N9O17	761.2464	NA	PeJP	NA	NA
+PJ029270	NDDMMH 	C28H43N9O12S2	761.2473	NA	PeJP	NA	NA
+PJ029271	CCCMFR 	C29H47N9O7S4	761.2482	NA	PeJP	NA	NA
+PJ029272	PDDDDW 	C32H39N7O15	761.2505	NA	PeJP	NA	NA
+PJ029273	STCCYW 	C33H43N7O10S2	761.2513	NA	PeJP	NA	NA
+MJ093496	Perdeacylevonine; 1,2,4,9,14-Penta-Ac 	C36H43NO17	761.253098	NA	MeJP	NA	NA
+MJ093497	Perdeacylwilforine; 8-Ketone, 1,2,6,9,14-penta-Ac 	C36H43NO17	761.253098	NA	MeJP	NA	NA
+PJ029274	SSSSCEY 	C29H43N7O15S	761.2538	NA	PeJP	NA	NA
+PJ029275	SCQMMY 	C30H47N7O10S3	761.2547	NA	PeJP	NA	NA
+PJ029276	GNNNNDD 	C26H39N11O16	761.2577	NA	PeJP	NA	NA
+PJ029277	CCDEHR 	C27H43N11O11S2	761.2585	NA	PeJP	NA	NA
+PJ029278	NDDDHF 	C31H39N9O14	761.2617	NA	PeJP	NA	NA
+MJ093498	Ecteinascidin 743 	C39H43N3O11S	761.261829	NA	MeJP	NA	NA
+PJ029279	ACDMHW 	C32H43N9O9S2	761.2625	NA	PeJP	NA	NA
+PJ029280	GCEMHW 	C32H43N9O9S2	761.2626	NA	PeJP	NA	NA
+PJ029281	SSVCDDH 	C28H43N9O14S	761.265	NA	PeJP	NA	NA
+PJ029282	GSSDEMH 	C28H43N9O14S	761.2651	NA	PeJP	NA	NA
+PJ029283	SCCMRY 	C29H47N9O9S3	761.2659	NA	PeJP	NA	NA
+PJ029284	CNDHHH 	C29H39N13O10S	761.2664	NA	PeJP	NA	NA
+PJ029285	GCCFFW 	C37H43N7O7S2	761.2666	NA	PeJP	NA	NA
+PJ029286	GNDMYY 	C33H43N7O12S	761.2691	NA	PeJP	NA	NA
+PJ029287	GSPDEEE 	C29H43N7O17	761.2716	NA	PeJP	NA	NA
+PJ029288	GSSSMMY 	C30H47N7O12S2	761.2724	NA	PeJP	NA	NA
+PJ029289	PPVCCDE 	C30H47N7O12S2	761.2725	NA	PeJP	NA	NA
+PJ029290	CCKMMF 	C31H51N7O7S4	761.2733	NA	PeJP	NA	NA
+PJ029291	SSSCNQH 	C27H43N11O13S	761.2763	NA	PeJP	NA	NA
+PJ029292	CMHWW 	C36H43N9O6S2	761.2778	NA	PeJP	NA	NA
+PJ029293	SSDMHW 	C32H43N9O11S	761.2803	NA	PeJP	NA	NA
+PJ029294	SSSSEEH 	C28H43N9O16	761.2828	NA	PeJP	NA	NA
+MJ093499	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 1-(3-Pyridinecarbonyl), 2,8,9-tribenzoyl, 6-Ac 	C44H43NO11	761.283611	NA	MeJP	NA	NA
+MJ093500	1,2,6,8,9-Pentahydroxydihydro-?-agarofuran, 8-(3-Pyridinecarbonyl), 1,2,9-tribenzoyl, 6-Ac 	C44H43NO11	761.283611	NA	MeJP	NA	NA
+PJ029295	SQEMMH 	C29H47N9O11S2	761.2837	NA	PeJP	NA	NA
+PJ029296	CQYYW 	C37H43N7O9S	761.2843	NA	PeJP	NA	NA
+PJ029297	SPDEEW 	C33H43N7O14	761.2868	NA	PeJP	NA	NA
+PJ029298	PPCEMW 	C34H47N7O9S2	761.2877	NA	PeJP	NA	NA
+PJ029299	SSSSTMY 	C30H47N7O14S	761.2902	NA	PeJP	NA	NA
+PJ029300	SCKMMY 	C31H51N7O9S3	761.2911	NA	PeJP	NA	NA
+PJ029301	CNNQHF 	C31H43N11O10S	761.2915	NA	PeJP	NA	NA
+PJ029302	GGGGCQHF 	C31H43N11O10S	761.2916	NA	PeJP	NA	NA
+PJ029303	NNDDER 	C27H43N11O15	761.294	NA	PeJP	NA	NA
+PJ029304	GGNDDER 	C27H43N11O15	761.2941	NA	PeJP	NA	NA
+PJ029305	SCEMHR 	C28H47N11O10S2	761.2949	NA	PeJP	NA	NA
+PJ029306	GPCNWW 	C36H43N9O8S	761.2956	NA	PeJP	NA	NA
+PJ029307	GNQEEW 	C32H43N9O13	761.2981	NA	PeJP	NA	NA
+PJ029308	GTMMHW 	C33H47N9O8S2	761.2989	NA	PeJP	NA	NA
+PJ029309	PDDEMR 	C29H47N9O13S	761.3014	NA	PeJP	NA	NA
+PJ029310	GGGGGPTEM 	C29H47N9O13S	761.3015	NA	PeJP	NA	NA
+PJ029311	GSSYYW 	C37H43N7O11	761.3021	NA	PeJP	NA	NA
+PJ029312	VNMMMH 	C30H51N9O8S3	761.3023	NA	PeJP	NA	NA
+PJ029313	SNMHHH 	C30H43N13O9S	761.3028	NA	PeJP	NA	NA
+PJ029314	GTQMYY 	C34H47N7O11S	761.3054	NA	PeJP	NA	NA
+PJ029315	APEEMW 	C34H47N7O11S	761.3055	NA	PeJP	NA	NA
+PJ029316	VQEEEE 	C30H47N7O16	761.308	NA	PeJP	NA	NA
+PJ029317	GPPTEMM 	C31H51N7O11S2	761.3088	NA	PeJP	NA	NA
+PJ029318	GNDDRW 	C31H43N11O12	761.3093	NA	PeJP	NA	NA
+PJ029319	PCCHFR 	C32H47N11O7S2	761.3102	NA	PeJP	NA	NA
+PJ029320	GSPCNER 	C28H47N11O12S	761.3127	NA	PeJP	NA	NA
+PJ029321	NQEWW 	C36H43N9O10	761.3133	NA	PeJP	NA	NA
+PJ029322	GMMMHR 	C29H51N11O7S3	761.3135	NA	PeJP	NA	NA
+PJ029323	STTMHW 	C33H47N9O10S	761.3167	NA	PeJP	NA	NA
+PJ029324	AEEEER 	C29H47N9O15	761.3192	NA	PeJP	NA	NA
+MJ093501	Sperm activating peptide; Sperm activating peptide E 	C30H51N9O10S2	761.32003	NA	MeJP	NA	NA
+PJ029325	SKEMMH 	C30H51N9O10S2	761.3201	NA	PeJP	NA	NA
+PJ029326	GSSTHHH 	C30H43N13O11	761.3205	NA	PeJP	NA	NA
+PJ029327	GGGGGSPHH 	C30H43N13O11	761.3206	NA	PeJP	NA	NA
+PJ029328	CKYYW 	C38H47N7O8S	761.3207	NA	PeJP	NA	NA
+PJ029329	GLEEEW 	C34H47N7O13	761.3232	NA	PeJP	NA	NA
+PJ029330	NNNNMR 	C27H47N13O11S	761.3239	NA	PeJP	NA	NA
+PJ029331	PPTMMW 	C35H51N7O8S2	761.3241	NA	PeJP	NA	NA
+PJ029332	GPEHHW 	C35H43N11O9	761.3246	NA	PeJP	NA	NA
+PJ029333	PKEEEM 	C31H51N7O13S	761.3266	NA	PeJP	NA	NA
+PJ029334	GPPVMMM 	C32H55N7O8S3	761.3275	NA	PeJP	NA	NA
+PJ029335	SPCNRW 	C32H47N11O9S	761.3279	NA	PeJP	NA	NA
+PJ029336	GQWWW 	C40H43N9O7	761.3286	NA	PeJP	NA	NA
+PJ029337	SNQEER 	C28H47N11O14	761.3304	NA	PeJP	NA	NA
+PJ029338	GGGGGGGSKE 	C28H47N11O14	761.3305	NA	PeJP	NA	NA
+PJ029339	STMMHR 	C29H51N11O9S2	761.3313	NA	PeJP	NA	NA
+PJ029340	AAMHFW 	C37H47N9O7S	761.332	NA	PeJP	NA	NA
+PJ029341	GNKEEW 	C33H47N9O12	761.3344	NA	PeJP	NA	NA
+PJ029342	GGGKEEW 	C33H47N9O12	761.3345	NA	PeJP	NA	NA
+PJ029343	PCKMHF 	C34H51N9O7S2	761.3353	NA	PeJP	NA	NA
+PJ029344	GQHHHF 	C34H43N13O8	761.3358	NA	PeJP	NA	NA
+PJ029345	PTEEMR 	C30H51N9O12S	761.3378	NA	PeJP	NA	NA
+PJ029346	LEEWW 	C38H47N7O10	761.3385	NA	PeJP	NA	NA
+PJ029347	PPMMMR 	C31H55N9O7S3	761.3387	NA	PeJP	NA	NA
+PJ029348	TCKHHH 	C31H47N13O8S	761.3392	NA	PeJP	NA	NA
+PJ029349	PHHWW 	C39H43N11O6	761.3398	NA	PeJP	NA	NA
+PJ029350	SNDDRR 	C27H47N13O13	761.3417	NA	PeJP	NA	NA
+PJ029351	SPLEMW 	C35H51N7O10S	761.3418	NA	PeJP	NA	NA
+PJ029352	GPPVDMF 	C35H51N7O10S	761.3419	NA	PeJP	NA	NA
+PJ029353	PCCQRR 	C28H51N13O8S2	761.3425	NA	PeJP	NA	NA
+PJ029354	SSPTLEE 	C31H51N7O15	761.3443	NA	PeJP	NA	NA
+PJ029355	VKEEEE 	C31H51N7O15	761.3444	NA	PeJP	NA	NA
+PJ029356	AAPLEMM 	C32H55N7O10S2	761.3452	NA	PeJP	NA	NA
+PJ029357	GSQERW 	C32H47N11O11	761.3457	NA	PeJP	NA	NA
+PJ029358	AQQEMR 	C29H51N11O11S	761.349	NA	PeJP	NA	NA
+PJ029359	GAAQEMR 	C29H51N11O11S	761.3491	NA	PeJP	NA	NA
+PJ029360	NKEWW 	C37H47N9O9	761.3497	NA	PeJP	NA	NA
+PJ029361	SPNKMW 	C34H51N9O9S	761.3531	NA	PeJP	NA	NA
+C17707	Lividomycin A	C29H55N5O18	761.3542	NA	KEGG	NA	NA
+MJ093502	Lividomycin A 	C29H55N5O18	761.354209	NA	MeJP	NA	NA
+PJ029362	SLEEER 	C30H51N9O14	761.3556	NA	PeJP	NA	NA
+PJ029363	PQQKMM 	C31H55N9O9S2	761.3564	NA	PeJP	NA	NA
+PJ029364	PVEMMR 	C31H55N9O9S2	761.3565	NA	PeJP	NA	NA
+PJ029365	SPEHHR 	C31H47N13O10	761.3569	NA	PeJP	NA	NA
+PJ029366	PPCLFW 	C39H51N7O7S	761.3571	NA	PeJP	NA	NA
+PJ029367	SVLEEW 	C35H51N7O12	761.3596	NA	PeJP	NA	NA
+PJ029368	GNEMRR 	C28H51N13O10S	761.3603	NA	PeJP	NA	NA
+PJ029369	PVVMMW 	C36H55N7O7S2	761.3605	NA	PeJP	NA	NA
+PJ029370	SQRWW 	C36H47N11O8	761.3609	NA	PeJP	NA	NA
+PJ029371	GAPPHHF 	C36H47N11O8	761.361	NA	PeJP	NA	NA
+PJ029372	LLQEEM 	C32H55N7O12S	761.363	NA	PeJP	NA	NA
+PJ029373	AAQMRW 	C33H51N11O8S	761.3643	NA	PeJP	NA	NA
+PJ029374	GKWWW 	C41H47N9O6	761.365	NA	PeJP	NA	NA
+PJ029375	SNKEER 	C29H51N11O13	761.3668	NA	PeJP	NA	NA
+PJ029376	PCQKMR 	C30H55N11O8S2	761.3677	NA	PeJP	NA	NA
+PJ029377	GQQHHR 	C30H47N15O9	761.3682	NA	PeJP	NA	NA
+PJ029378	GDKKEW 	C34H51N9O11	761.3708	NA	PeJP	NA	NA
+PJ029379	GGGGAAPLY 	C34H51N9O11	761.3709	NA	PeJP	NA	NA
+PJ029380	GCDRRR 	C27H51N15O9S	761.3715	NA	PeJP	NA	NA
+PJ029381	GKHHHF 	C35H47N13O7	761.3722	NA	PeJP	NA	NA
+PJ029382	VVEEMR 	C31H55N9O11S	761.3742	NA	PeJP	NA	NA
+PJ029383	SPPLYW 	C39H51N7O9	761.3748	NA	PeJP	NA	NA
+PJ029384	PPVTYW 	C39H51N7O9	761.3749	NA	PeJP	NA	NA
+PJ029385	NMRRW 	C32H51N13O7S	761.3755	NA	PeJP	NA	NA
+PJ029386	GGMRRW 	C32H51N13O7S	761.3756	NA	PeJP	NA	NA
+PJ029387	SSQERR 	C28H51N13O12	761.378	NA	PeJP	NA	NA
+PJ029388	GGSTERR 	C28H51N13O12	761.3781	NA	PeJP	NA	NA
+PJ029389	ALLEMW 	C36H55N7O9S	761.3782	NA	PeJP	NA	NA
+PJ029390	PCCKRR 	C29H55N13O7S2	761.3789	NA	PeJP	NA	NA
+PJ029391	GTTLLEE 	C32H55N7O14	761.3807	NA	PeJP	NA	NA
+PJ029392	GPTLLMM 	C33H59N7O9S2	761.3816	NA	PeJP	NA	NA
+PJ029393	GSKERW 	C33H51N11O10	761.3821	NA	PeJP	NA	NA
+PJ029394	AQKEMR 	C30H55N11O10S	761.3854	NA	PeJP	NA	NA
+PJ029395	GGVDKMR 	C30H55N11O10S	761.3855	NA	PeJP	NA	NA
+PJ029396	DKKWW 	C38H51N9O8	761.3861	NA	PeJP	NA	NA
+PJ029397	GLQKMW 	C35H55N9O8S	761.3895	NA	PeJP	NA	NA
+PJ029398	SPTTTQK 	C31H55N9O13	761.3919	NA	PeJP	NA	NA
+PJ029399	TQKKEE 	C31H55N9O13	761.392	NA	PeJP	NA	NA
+PJ029400	PQKKMM 	C32H59N9O8S2	761.3928	NA	PeJP	NA	NA
+PJ029401	GSTRRW 	C32H51N13O9	761.3933	NA	PeJP	NA	NA
+PJ029402	TTLLEW 	C36H55N7O11	761.396	NA	PeJP	NA	NA
+PJ029403	GDKMRR 	C29H55N13O9S	761.3967	NA	PeJP	NA	NA
+PJ029404	SKRWW 	C37H51N11O7	761.3973	NA	PeJP	NA	NA
+PJ029405	SPTTLLM 	C33H59N7O11S	761.3993	NA	PeJP	NA	NA
+PJ029406	LLKEEM 	C33H59N7O11S	761.3994	NA	PeJP	NA	NA
+PJ029407	AAKMRW 	C34H55N11O7S	761.4007	NA	PeJP	NA	NA
+PJ029408	SDKKER 	C30H55N11O12	761.4032	NA	PeJP	NA	NA
+PJ029409	PCKKMR 	C31H59N11O7S2	761.4041	NA	PeJP	NA	NA
+PJ029410	GQKHHR 	C31H51N15O8	761.4045	NA	PeJP	NA	NA
+PJ029411	GGAKHHR 	C31H51N15O8	761.4046	NA	PeJP	NA	NA
+PJ029412	ATKKEW 	C35H55N9O10	761.4072	NA	PeJP	NA	NA
+PJ029413	GSMRRR 	C28H55N15O8S	761.4079	NA	PeJP	NA	NA
+PJ029414	HFFRR 	C36H51N13O6	761.4086	NA	PeJP	NA	NA
+PJ029415	TLLEMR 	C32H59N9O10S	761.4106	NA	PeJP	NA	NA
+PJ029416	APLLYW 	C40H55N7O8	761.4112	NA	PeJP	NA	NA
+PJ029417	GPPVVFF 	C40H55N7O8	761.4113	NA	PeJP	NA	NA
+PJ029418	SSKERR 	C29H55N13O11	761.4144	NA	PeJP	NA	NA
+PJ029419	SLLLMW 	C37H59N7O8S	761.4146	NA	PeJP	NA	NA
+PJ029420	SSTLLLE 	C33H59N7O13	761.4171	NA	PeJP	NA	NA
+PJ029421	AALLLMM 	C34H63N7O8S2	761.418	NA	PeJP	NA	NA
+PJ029422	ATTKRW 	C34H55N11O9	761.4184	NA	PeJP	NA	NA
+PJ029423	SSVKRW 	C34H55N11O9	761.4185	NA	PeJP	NA	NA
+PJ029424	AKKEMR 	C31H59N11O9S	761.4218	NA	PeJP	NA	NA
+PJ029425	GPKKFW 	C39H55N9O7	761.4225	NA	PeJP	NA	NA
+PJ029426	SSTRRR 	C28H55N15O10	761.4257	NA	PeJP	NA	NA
+PJ029427	GLKKMW 	C36H59N9O7S	761.4259	NA	PeJP	NA	NA
+PJ029428	GSTLKKE 	C32H59N9O12	761.4283	NA	PeJP	NA	NA
+PJ029429	TKKKEE 	C32H59N9O12	761.4284	NA	PeJP	NA	NA
+PJ029430	VLLMMR 	C33H63N9O7S2	761.4292	NA	PeJP	NA	NA
+PJ029431	GVQFRR 	C33H55N13O8	761.4297	NA	PeJP	NA	NA
+PJ029432	PLLKEY 	C37H59N7O10	761.4324	NA	PeJP	NA	NA
+PJ029433	ATKMRR 	C30H59N13O8S	761.4331	NA	PeJP	NA	NA
+PJ029434	ATTLLLM 	C34H63N7O10S	761.4357	NA	PeJP	NA	NA
+PJ029435	TTKKER 	C31H59N11O11	761.4396	NA	PeJP	NA	NA
+PJ029436	QFRRR 	C32H55N15O7	761.4409	NA	PeJP	NA	NA
+PJ029437	STLKKW 	C36H59N9O9	761.4436	NA	PeJP	NA	NA
+PJ029438	VKKKEM 	C33H63N9O9S	761.447	NA	PeJP	NA	NA
+PJ029439	ALLLFW 	C41H59N7O7	761.4476	NA	PeJP	NA	NA
+PJ029440	TTTKRR 	C30H59N13O10	761.4508	NA	PeJP	NA	NA
+PJ029441	TTTTLLL 	C34H63N7O12	761.4535	NA	PeJP	NA	NA
+PJ029442	APKKRY 	C35H59N11O8	761.4548	NA	PeJP	NA	NA
+PJ029443	GGVVKFR 	C35H59N11O8	761.4549	NA	PeJP	NA	NA
+PJ029444	SLKKMR 	C32H63N11O8S	761.4582	NA	PeJP	NA	NA
+PJ029445	SSSLLKK 	C33H63N9O11	761.4647	NA	PeJP	NA	NA
+PJ029446	GVKFRR 	C34H59N13O7	761.4661	NA	PeJP	NA	NA
+PJ029447	LLLLQY 	C38H63N7O9	761.4688	NA	PeJP	NA	NA
+PJ029448	GSSKKKK 	C32H63N11O10	761.476	NA	PeJP	NA	NA
+PJ029449	KFRRR 	C33H59N15O6	761.4773	NA	PeJP	NA	NA
+PJ029450	VVLLRY 	C37H63N9O8	761.48	NA	PeJP	NA	NA
+PJ029451	ALKKFR 	C36H63N11O7	761.4912	NA	PeJP	NA	NA
+PJ029452	CKKKKK 	C33H67N11O7S	761.4946	NA	PeJP	NA	NA
+HMDB08979	PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09104	PE(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09135	PE(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09136	PE(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09168	PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09169	PE(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09199	PE(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09200	PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09327	PE(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09360	PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09391	PE(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09392	PE(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09424	PE(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09425	PE(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09456	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+HMDB09683	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	C43H72NO8P	761.499573	NA	HMDB2010	NA	NA
+PJ029453	LLLLKY 	C39H67N7O8	761.5051	NA	PeJP	NA	NA
+PJ029454	PPPLLLL 	C39H67N7O8	761.5052	NA	PeJP	NA	NA
+PJ029455	VLKKKF 	C38H67N9O7	761.5164	NA	PeJP	NA	NA
+HMDB12357	PS(16:0/18:1(9Z))	C40H76NO10P	761.520691	NA	HMDB2010	NA	NA
+HMDB12367	PS(16:1(9Z)/18:0)	C40H76NO10P	761.520691	NA	HMDB2010	NA	NA
+HMDB12377	PS(18:0/16:1(9Z))	C40H76NO10P	761.520691	NA	HMDB2010	NA	NA
+HMDB12387	PS(18:1(9Z)/16:0)	C40H76NO10P	761.520691	NA	HMDB2010	NA	NA
+C13880	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine	C40H76NO10P	761.5207	NA	KEGG	NA	NA
+7058	DP1	KLAKLAKKLAKLAK 	761.524	MH2+	Inhouse_peptide	NA	peptide
+EUR1073	SM(d18:1/16:1) [M-H+acetate]-	C39H78N2O6P	761.580851	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1073	SM(d18:1/16:1) [M-H+acetate]-	C39H78N2O6P	761.580851	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1073	SM(d18:1/16:1) [M-H+acetate]-	C39H78N2O6P	761.580851	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1073	SM(d18:1/16:1) [M-H+acetate]-	C39H78N2O6P	761.580851	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB00436	1-Stearoyl-2-palmitoylphosphatidylcholine	C42H84NO8P	761.59344	http://www.hmdb.ca/metabolites/HMDB00436	HMDB	NA	NA
+HMDB00436	1-Stearoyl-2-palmitoylphosphatidylcholine	C42H84NO8P	761.59344	HMDB00436	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07878	PC(14:0/20:0)	C42H84NO8P	761.593445	NA	HMDB2010	NA	NA
+HMDB07970	PC(16:0/18:0)	C42H84NO8P	761.593445	NA	HMDB2010	NA	NA
+HMDB08034	PC(18:0/16:0)	C42H84NO8P	761.593445	NA	HMDB2010	NA	NA
+HMDB08262	PC(20:0/14:0)	C42H84NO8P	761.593445	NA	HMDB2010	NA	NA
+HMDB08907	PE(15:0/22:0)	C42H84NO8P	761.593445	NA	HMDB2010	NA	NA
+HMDB09483	PE(22:0/15:0)	C42H84NO8P	761.593445	NA	HMDB2010	NA	NA
+MJ093503	Asteriacerebroside E 	C42H83NO10	761.601697	NA	MeJP	NA	NA
+MJ093504	Hydroxyhexaphlorethol 	C36H26O19	762.106828	NA	MeJP	NA	NA
+PJ029456	CCCCCND 	C23H38N8O11S5	762.1264	NA	PeJP	NA	NA
+MJ093505	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3-O-(3,4,5-Trihydroxybenzoyl) 	C37H30O18	762.143214	NA	MeJP	NA	NA
+MJ093506	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-O-(3,4,5-Trihydroxybenzoyl) 	C37H30O18	762.143214	NA	MeJP	NA	NA
+MJ093507	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3'-(3,4,5-Trihydroxybenzoyl) 	C37H30O18	762.143214	NA	MeJP	NA	NA
+MJ093508	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'',5'''-Dihydroxy, 3'-(3,4,5-trihydroxybenzoyl) 	C37H30O18	762.143214	NA	MeJP	NA	NA
+MJ093509	Theasinensin C; 3-O-(3,4,5-Trihydroxybenzoyl) 	C37H30O18	762.143214	NA	MeJP	NA	NA
+MJ093510	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[3,4,5-trihydroxybenzoyl-(??)]-?-D-glucopyranoside] 	C37H31O18(+)	762.143214	NA	MeJP	NA	NA
+PJ029457	SCCCCNM 	C24H42N8O10S5	762.1628	NA	PeJP	NA	NA
+FL5FACGS0099	Quercetin 3-(2''-galoylrutinoside);3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C34H34O20	762.16434	175032-96-9	knapsack	NA	NA
+MJ093511	Rutin; 2'''-O-(3,4,5-Trihydroxybenzoyl) 	C34H34O20	762.164343	NA	MeJP	NA	NA
+PJ029458	GSSTCCCC 	C24H42N8O12S4	762.1805	NA	PeJP	NA	NA
+PJ029459	GCCCCQF 	C28H42N8O9S4	762.1958	NA	PeJP	NA	NA
+PJ029460	SSSSSCCC 	C24H42N8O14S3	762.1983	NA	PeJP	NA	NA
+PJ029461	TCCCCCK 	C25H46N8O9S5	762.1992	NA	PeJP	NA	NA
+PJ029462	CCDEMY 	C29H42N6O12S3	762.2023	NA	PeJP	NA	NA
+PJ029463	GCCNDDH 	C26H38N10O13S2	762.2062	NA	PeJP	NA	NA
+MJ093512	Ulithiacyclamide 	C32H42N8O6S4	762.211013	NA	MeJP	NA	NA
+PJ029464	GSCCCQY 	C28H42N8O11S3	762.2135	NA	PeJP	NA	NA
+PJ029465	GGGTCCCY 	C28H42N8O11S3	762.2136	NA	PeJP	NA	NA
+PJ029466	CCEMMF 	C30H46N6O9S4	762.2209	NA	PeJP	NA	NA
+PJ029467	SPCCCNH 	C27H42N10O10S3	762.2248	NA	PeJP	NA	NA
+PJ029468	SSSCCNY 	C28H42N8O13S2	762.2313	NA	PeJP	NA	NA
+PJ029469	GCCCCKF 	C29H46N8O8S4	762.2322	NA	PeJP	NA	NA
+PJ029470	PCCDYY 	C33H42N6O11S2	762.2353	NA	PeJP	NA	NA
+PJ029471	SCEMMY 	C30H46N6O11S3	762.2387	NA	PeJP	NA	NA
+PJ029472	GNNNDDD 	C26H38N10O17	762.2417	NA	PeJP	NA	NA
+PJ029473	GSCNDMH 	C27H42N10O12S2	762.2425	NA	PeJP	NA	NA
+PJ029474	GGGSCDMH 	C27H42N10O12S2	762.2426	NA	PeJP	NA	NA
+PJ029475	DDDDHF 	C31H38N8O15	762.2457	NA	PeJP	NA	NA
+PJ029476	CCNNFY 	C32H42N8O10S2	762.2466	NA	PeJP	NA	NA
+PJ029477	GPNDDDM 	C28H42N8O15S	762.2491	NA	PeJP	NA	NA
+PJ029478	GSCCCKY 	C29H46N8O10S3	762.2499	NA	PeJP	NA	NA
+PJ029479	CDDHHH 	C29H38N12O11S	762.2504	NA	PeJP	NA	NA
+PJ029480	GDDMYY 	C33H42N6O13S	762.2531	NA	PeJP	NA	NA
+PJ029481	PCCMFY 	C34H46N6O8S3	762.254	NA	PeJP	NA	NA
+PJ029482	GMMMMY 	C31H50N6O8S4	762.2573	NA	PeJP	NA	NA
+PJ029483	SCCQHW 	C31H42N10O9S2	762.2578	NA	PeJP	NA	NA
+MJ093513	Tricoloroside 	C33H46O20	762.258243	NA	MeJP	NA	NA
+PJ029484	SSSCNEH 	C27H42N10O14S	762.2603	NA	PeJP	NA	NA
+PJ029485	CNQMMH 	C28H46N10O9S3	762.2612	NA	PeJP	NA	NA
+PJ029486	PCNDEW 	C32H42N8O12S	762.2643	NA	PeJP	NA	NA
+PJ029487	NNEEEE 	C28H42N8O17	762.2668	NA	PeJP	NA	NA
+PJ029488	SEEMMH 	C29H46N8O12S2	762.2677	NA	PeJP	NA	NA
+PJ029489	CEYYW 	C37H42N6O10S	762.2683	NA	PeJP	NA	NA
+PJ029490	SSDEYY 	C33H42N6O15	762.2708	NA	PeJP	NA	NA
+PJ029491	GCNNNNQ 	C26H42N12O13S	762.2715	NA	PeJP	NA	NA
+PJ029492	GGGGGGGCNQ 	C26H42N12O13S	762.2716	NA	PeJP	NA	NA
+PJ029493	SPCMYY 	C34H46N6O10S2	762.2717	NA	PeJP	NA	NA
+PJ029494	CCNMHR 	C27H46N12O8S3	762.2724	NA	PeJP	NA	NA
+MJ093514	1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran, 8-Ketone, 13-benzoyl, 3-(2-methylbutanoyl), 1,2,6,9,14-penta-Ac 	C37H46O17	762.2735	NA	MeJP	NA	NA
+MJ093515	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[4-hydroxy-3,5-dimethoxybenzoyl-(?2)-?-D-glucopyranoside] 	C37H46O17	762.2735	NA	MeJP	NA	NA
+PJ029495	PEEEEM 	C30H46N6O15S	762.2742	NA	PeJP	NA	NA
+PJ029496	STMMMY 	C31H50N6O10S3	762.2751	NA	PeJP	NA	NA
+PJ029497	GSSSCHW 	C31H42N10O11S	762.2755	NA	PeJP	NA	NA
+PJ029498	CNNEHF 	C31H42N10O11S	762.2756	NA	PeJP	NA	NA
+PJ029499	GSNNDQE 	C27H42N10O16	762.278	NA	PeJP	NA	NA
+PJ029500	NDDDER 	C27H42N10O16	762.2781	NA	PeJP	NA	NA
+PJ029501	GSSNMMH 	C28H46N10O11S2	762.2789	NA	PeJP	NA	NA
+PJ029502	GGGGGGAPCM 	C28H46N10O11S2	762.279	NA	PeJP	NA	NA
+PJ029503	GPCDWW 	C36H42N8O9S	762.2796	NA	PeJP	NA	NA
+PJ029504	GNEEEW 	C32H42N8O14	762.2821	NA	PeJP	NA	NA
+PJ029505	GPPTCCW 	C33H46N8O9S2	762.2829	NA	PeJP	NA	NA
+PJ029506	PCEMHF 	C33H46N8O9S2	762.283	NA	PeJP	NA	NA
+PJ029507	SPVCNDE 	C29H46N8O14S	762.2854	NA	PeJP	NA	NA
+MJ093516	Cephabacin F; Cephabacin F7, N27-L-Seryl 	C29H46N8O14S	762.285418	NA	MeJP	NA	NA
+PJ029508	GSPNEEM 	C29H46N8O14S	762.2855	NA	PeJP	NA	NA
+PJ029509	GDDFFY 	C37H42N6O12	762.2861	NA	PeJP	NA	NA
+PJ029510	VDMMMH 	C30H50N8O9S3	762.2863	NA	PeJP	NA	NA
+PJ029511	SDMHHH 	C30H42N12O10S	762.2868	NA	PeJP	NA	NA
+PJ029512	PCCFFF 	C38H46N6O7S2	762.287	NA	PeJP	NA	NA
+PJ029513	SSNNNNN 	C26H42N12O15	762.2893	NA	PeJP	NA	NA
+PJ029514	GTEMYY 	C34H46N6O12S	762.2895	NA	PeJP	NA	NA
+PJ029515	GSTCCHR 	C27H46N12O10S2	762.2902	NA	PeJP	NA	NA
+PJ029516	GMMMFF 	C35H50N6O7S3	762.2903	NA	PeJP	NA	NA
+PJ029517	GCNHFW 	C35H42N10O8S	762.2908	NA	PeJP	NA	NA
+PJ029518	VEEEEE 	C30H46N6O17	762.292	NA	PeJP	NA	NA
+PJ029519	GDDDRW 	C31H42N10O13	762.2933	NA	PeJP	NA	NA
+PJ029520	SCCKHW 	C32H46N10O8S2	762.2942	NA	PeJP	NA	NA
+PJ029521	GSPCDER 	C28H46N10O13S	762.2967	NA	PeJP	NA	NA
+PJ029522	NEEWW 	C36H42N8O11	762.2973	NA	PeJP	NA	NA
+PJ029523	GPPCCMR 	C29H50N10O8S3	762.2976	NA	PeJP	NA	NA
+MJ093517	Patellamide C 	C37H46N8O6S2	762.298172	NA	MeJP	NA	NA
+MJ093518	Patellamide F 	C37H46N8O6S2	762.298172	NA	MeJP	NA	NA
+C15735	Patellamide C	C37H46N8O6S2	762.2982	NA	KEGG	NA	NA
+PJ029524	SPNEMW 	C33H46N8O11S	762.3007	NA	PeJP	NA	NA
+PJ029525	NDKEEE 	C29H46N8O16	762.3032	NA	PeJP	NA	NA
+PJ029526	PQQEMM 	C30H50N8O11S2	762.3041	NA	PeJP	NA	NA
+PJ029527	GSPNDHH 	C30H42N12O12	762.3045	NA	PeJP	NA	NA
+PJ029528	GGGSPDHH 	C30H42N12O12	762.3046	NA	PeJP	NA	NA
+PJ029529	TMYYW 	C38H46N6O9S	762.3047	NA	PeJP	NA	NA
+PJ029530	AMMHHH 	C31H46N12O7S2	762.3054	NA	PeJP	NA	NA
+MJ093519	Methanofuran b 	C34H46N6O14	762.3072	NA	MeJP	NA	NA
+PJ029531	STTEYY 	C34H46N6O14	762.3072	NA	PeJP	NA	NA
+PJ029532	SSSSCHR 	C27H46N12O12S	762.3079	NA	PeJP	NA	NA
+PJ029533	GGGGGGGGGCK 	C27H46N12O12S	762.308	NA	PeJP	NA	NA
+PJ029534	GVMMYY 	C35H50N6O9S2	762.3081	NA	PeJP	NA	NA
+PJ029535	GSNNWW 	C35H42N10O10	762.3086	NA	PeJP	NA	NA
+MJ093520	7,11,12,20-Tetrahydroxy-8,11,13-abietatrien-3-one, 7,20-Di-Ac, 12-O-(tetra-O-acetyl-?-D-glucopyranoside) 	C38H50O16	762.309885	NA	MeJP	NA	NA
+MJ093521	Hispidin A; 12,15-Dideacyl, 12-(2-oxo-3-methylpentanoyl), 15-Ac 	C38H50O16	762.309885	NA	MeJP	NA	NA
+MJ093522	Prieurianin 	C38H50O16	762.309885	NA	MeJP	NA	NA
+PJ029536	SPCDRW 	C32H46N10O10S	762.3119	NA	PeJP	NA	NA
+PJ029537	GGGGAQMW 	C32H46N10O10S	762.312	NA	PeJP	NA	NA
+PJ029538	GEWWW 	C40H42N8O8	762.3126	NA	PeJP	NA	NA
+PJ029539	SNEEER 	C28H46N10O15	762.3144	NA	PeJP	NA	NA
+PJ029540	GGSEEER 	C28H46N10O15	762.3145	NA	PeJP	NA	NA
+PJ029541	PNDMMR 	C29H50N10O10S2	762.3153	NA	PeJP	NA	NA
+PJ029542	NNNQHH 	C29H42N14O11	762.3158	NA	PeJP	NA	NA
+PJ029543	GSPMWW 	C37H46N8O8S	762.316	NA	PeJP	NA	NA
+PJ029544	GDKEEW 	C33H46N8O13	762.3185	NA	PeJP	NA	NA
+PJ029545	APQMMW 	C34H50N8O8S2	762.3193	NA	PeJP	NA	NA
+PJ029546	GEHHHF 	C34H42N12O9	762.3198	NA	PeJP	NA	NA
+PJ029547	VQQEEM 	C30H50N8O13S	762.3218	NA	PeJP	NA	NA
+PJ029548	GGGALEEM 	C30H50N8O13S	762.3219	NA	PeJP	NA	NA
+PJ029549	GPTYYY 	C38H46N6O11	762.3225	NA	PeJP	NA	NA
+PJ029550	TLMMMH 	C31H54N8O8S3	762.3227	NA	PeJP	NA	NA
+PJ029551	GCNQRW 	C31H46N12O9S	762.3232	NA	PeJP	NA	NA
+PJ029552	SDDDRR 	C27H46N12O14	762.3257	NA	PeJP	NA	NA
+PJ029553	SSLMYY 	C35H50N6O11S	762.3258	NA	PeJP	NA	NA
+PJ029554	PCCERR 	C28H50N12O9S2	762.3266	NA	PeJP	NA	NA
+PJ029555	WWWW 	C44H42N8O5	762.3278	NA	PeJP	NA	NA
+PJ029556	GSEERW 	C32H46N10O12	762.3297	NA	PeJP	NA	NA
+PJ029557	APCMRW 	C33H50N10O7S2	762.3306	NA	PeJP	NA	NA
+PJ029558	AQEEMR 	C29H50N10O12S	762.3331	NA	PeJP	NA	NA
+PJ029559	DKEWW 	C37H46N8O10	762.3337	NA	PeJP	NA	NA
+PJ029560	PCNHHR 	C30H46N14O8S	762.3344	NA	PeJP	NA	NA
+PJ029561	HHHFW 	C38H42N12O6	762.3351	NA	PeJP	NA	NA
+PJ029562	GLQEMW 	C34H50N8O10S	762.3371	NA	PeJP	NA	NA
+PJ029563	TFFYW 	C42H46N6O8	762.3377	NA	PeJP	NA	NA
+PJ029564	TQKEEE 	C30H50N8O15	762.3396	NA	PeJP	NA	NA
+PJ029565	PQKEMM 	C31H54N8O10S2	762.3405	NA	PeJP	NA	NA
+PJ029566	SSNNRW 	C31H46N12O11	762.3409	NA	PeJP	NA	NA
+PJ029567	GGGGLEHH 	C31H46N12O11	762.341	NA	PeJP	NA	NA
+PJ029568	GVMFFY 	C39H50N6O8S	762.3411	NA	PeJP	NA	NA
+PJ029569	PLEEEF 	C35H50N6O13	762.3436	NA	PeJP	NA	NA
+PJ029570	GDEMRR 	C28H50N12O11S	762.3443	NA	PeJP	NA	NA
+PJ029571	SERWW 	C36H46N10O9	762.3449	NA	PeJP	NA	NA
+PJ029572	GQQHFF 	C36H46N10O9	762.345	NA	PeJP	NA	NA
+PJ029573	LLEEEM 	C32H54N6O13S	762.347	NA	PeJP	NA	NA
+MJ093523	Ophioxanthol; 7',8'-Didehydro, 4,4'-disulfate 	C40H58O10S2	762.347139	NA	MeJP	NA	NA
+PJ029574	AAEMRW 	C33H50N10O9S	762.3483	NA	PeJP	NA	NA
+PJ029575	SVWWW 	C41H46N8O7	762.349	NA	PeJP	NA	NA
+PJ029576	SDKEER 	C29H50N10O14	762.3508	NA	PeJP	NA	NA
+PJ029577	PTQMMR 	C30H54N10O9S2	762.3517	NA	PeJP	NA	NA
+PJ029578	GQEHHR 	C30H46N14O10	762.3522	NA	PeJP	NA	NA
+PJ029579	LQMWW 	C38H50N8O7S	762.3523	NA	PeJP	NA	NA
+PJ029580	GALMWW 	C38H50N8O7S	762.3524	NA	PeJP	NA	NA
+PJ029581	ATKEEW 	C34H50N8O12	762.3548	NA	PeJP	NA	NA
+PJ029582	GAPLNEY 	C34H50N8O12	762.3549	NA	PeJP	NA	NA
+PJ029583	SCNQRR 	C27H50N14O10S	762.3555	NA	PeJP	NA	NA
+PJ029584	GGGGTCRR 	C27H50N14O10S	762.3556	NA	PeJP	NA	NA
+PJ029585	APKMMW 	C35H54N8O7S2	762.3557	NA	PeJP	NA	NA
+PJ029586	GVQHHW 	C35H46N12O8	762.3562	NA	PeJP	NA	NA
+PJ029587	VQKEEM 	C31H54N8O12S	762.3582	NA	PeJP	NA	NA
+PJ029588	AALYYY 	C39H50N6O10	762.3589	NA	PeJP	NA	NA
+PJ029589	DMRRW 	C32H50N12O8S	762.3596	NA	PeJP	NA	NA
+PJ029590	ASSSQQR 	C28H50N12O13	762.362	NA	PeJP	NA	NA
+3269	NA	QVTSTEV	762.362	celiac toxic	Inhouse_peptide	NA	peptide
+PJ029591	SSEERR 	C28H50N12O13	762.3621	NA	PeJP	NA	NA
+PJ029592	PTCMRR 	C29H54N12O8S2	762.3629	NA	PeJP	NA	NA
+PJ029593	CLRWW 	C37H50N10O6S	762.3636	NA	PeJP	NA	NA
+PJ029594	ATTERW 	C33H50N10O11	762.3661	NA	PeJP	NA	NA
+PJ029595	QHHRW 	C34H46N14O7	762.3674	NA	PeJP	NA	NA
+PJ029596	SLQEMR 	C30H54N10O11S	762.3694	NA	PeJP	NA	NA
+PJ029597	AKEEMR 	C30H54N10O11S	762.3695	NA	PeJP	NA	NA
+PJ029598	GTTLWW 	C38H50N8O9	762.3701	NA	PeJP	NA	NA
+PJ029599	GSSSNRR 	C27H50N14O12	762.3733	NA	PeJP	NA	NA
+PJ029600	GLKEMW 	C35H54N8O9S	762.3735	NA	PeJP	NA	NA
+PJ029601	GVFFFF 	C43H50N6O7	762.3741	NA	PeJP	NA	NA
+PJ029602	TKKEEE 	C31H54N8O14	762.376	NA	PeJP	NA	NA
+PJ029603	ASPVKMM 	C32H58N8O9S2	762.3768	NA	PeJP	NA	NA
+PJ029604	PKKEMM 	C32H58N8O9S2	762.3769	NA	PeJP	NA	NA
+PJ029605	GPDRRY 	C32H50N12O10	762.3773	NA	PeJP	NA	NA
+PJ029606	PLLEEY 	C36H54N6O12	762.38	NA	PeJP	NA	NA
+PJ029607	ATEMRR 	C29H54N12O10S	762.3807	NA	PeJP	NA	NA
+PJ029608	AAPRYW 	C37H50N10O8	762.3813	NA	PeJP	NA	NA
+PJ029609	GGAKHFF 	C37H50N10O8	762.3814	NA	PeJP	NA	NA
+PJ029610	GTLMRW 	C34H54N10O8S	762.3847	NA	PeJP	NA	NA
+PJ029611	PKFWW 	C42H50N8O6	762.3854	NA	PeJP	NA	NA
+PJ029612	TTKEER 	C30H54N10O13	762.3872	NA	PeJP	NA	NA
+PJ029613	PTKMMR 	C31H58N10O8S2	762.3881	NA	PeJP	NA	NA
+PJ029614	GNNFRR 	C31H50N14O9	762.3886	NA	PeJP	NA	NA
+PJ029615	LKMWW 	C39H54N8O6S	762.3887	NA	PeJP	NA	NA
+PJ029616	STLKEW 	C35H54N8O11	762.3912	NA	PeJP	NA	NA
+PJ029617	GGGALLEF 	C35H54N8O11	762.3913	NA	PeJP	NA	NA
+PJ029618	SCNKRR 	C28H54N14O9S	762.3919	NA	PeJP	NA	NA
+PJ029619	APPHRW 	C36H50N12O7	762.3926	NA	PeJP	NA	NA
+PJ029620	VKKEEM 	C32H58N8O11S	762.3946	NA	PeJP	NA	NA
+PJ029621	GPMFRR 	C33H54N12O7S	762.396	NA	PeJP	NA	NA
+PJ029622	TTTERR 	C29H54N12O12	762.3984	NA	PeJP	NA	NA
+PJ029623	GGASSTKR 	C29H54N12O12	762.3985	NA	PeJP	NA	NA
+MJ093524	10-Methoxy-11-[10-(11-methoxyvincamajinyl)]cathafoline 	C45H54N4O7	762.39925	NA	MeJP	NA	NA
+MJ093525	11-[10-(11-Methoxyvincamajinyl)]vincorine 	C45H54N4O7	762.39925	NA	MeJP	NA	NA
+PJ029624	GLMMRR 	C30H58N12O7S2	762.3993	NA	PeJP	NA	NA
+PJ029625	GTHHRR 	C30H50N16O8	762.3998	NA	PeJP	NA	NA
+PJ029626	STTLRW 	C34H54N10O10	762.4025	NA	PeJP	NA	NA
+MJ093526	Sucrose; 1',2,3',4',6'-Pentakis(3-methylbutanoyl) 	C37H62O16	762.403785	NA	MeJP	NA	NA
+MJ093527	Sucrose; 1',2,3',6'-Tetrakis(3-methylbutanoyl), 4'-(2S-methylbutanoyl) 	C37H62O16	762.403785	NA	MeJP	NA	NA
+MJ093528	Sucrose; 2,3',4',6'-Tetrakis(3-methylbutanoyl), 1'-(2S-methylbutanoyl) 	C37H62O16	762.403785	NA	MeJP	NA	NA
+PJ029627	KHHRW 	C35H50N14O6	762.4038	NA	PeJP	NA	NA
+PJ029628	SLKEMR 	C31H58N10O10S	762.4058	NA	PeJP	NA	NA
+PJ029629	GGDKKKM 	C31H58N10O10S	762.4059	NA	PeJP	NA	NA
+PJ029630	GPLKYW 	C39H54N8O8	762.4065	NA	PeJP	NA	NA
+PJ029631	SVLKMW 	C36H58N8O8S	762.4099	NA	PeJP	NA	NA
+2932	NA	CPTATATALAPRGGSRV	762.4105	MH2+	Inhouse_peptide	NA	peptide
+PJ029632	STTTLLQ 	C32H58N8O13	762.4123	NA	PeJP	NA	NA
+PJ029633	SSSLLKE 	C32H58N8O13	762.4124	NA	PeJP	NA	NA
+PJ029634	LLQKMM 	C33H62N8O8S2	762.4132	NA	PeJP	NA	NA
+PJ029635	APTRRY 	C33H54N12O9	762.4137	NA	PeJP	NA	NA
+PJ029636	LLLEEF 	C37H58N6O11	762.4164	NA	PeJP	NA	NA
+PJ029637	STLMRR 	C30H58N12O9S	762.4171	NA	PeJP	NA	NA
+PJ029638	AALFRW 	C38H54N10O7	762.4177	NA	PeJP	NA	NA
+MJ093529	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H62O13	762.419042	NA	MeJP	NA	NA
+PJ029639	ACKKKW 	C35H58N10O7S	762.4211	NA	PeJP	NA	NA
+PJ029640	SSSTLLR 	C31H58N10O12	762.4236	NA	PeJP	NA	NA
+PJ029641	VVKMMR 	C32H62N10O7S2	762.4245	NA	PeJP	NA	NA
+PJ029642	EFRRR 	C32H54N14O8	762.4249	NA	PeJP	NA	NA
+PJ029643	PVKKEY 	C36H58N8O10	762.4276	NA	PeJP	NA	NA
+PJ029644	VFRRW 	C37H54N12O6	762.429	NA	PeJP	NA	NA
+PJ029645	GTTLLKM 	C33H62N8O10S	762.431	NA	PeJP	NA	NA
+PJ029646	GSSTKKR 	C30H58N12O11	762.4348	NA	PeJP	NA	NA
+MJ093530	Methionylvalylphenylalanylisoleucylleucylleucineyl 	C38H62N6O8S	762.434983	NA	MeJP	NA	NA
+MJ093531	Tabernaelegantinine A 	C46H58N4O6	762.435635	NA	MeJP	NA	NA
+MJ093532	Tabernaelegantinine B 	C46H58N4O6	762.435635	NA	MeJP	NA	NA
+PJ029647	SSKKKW 	C35H58N10O9	762.4388	NA	PeJP	NA	NA
+PJ029648	SPLKRY 	C35H58N10O9	762.4389	NA	PeJP	NA	NA
+PJ029649	TQKKKM 	C32H62N10O9S	762.4422	NA	PeJP	NA	NA
+PJ029650	GLLKFW 	C40H58N8O7	762.4429	NA	PeJP	NA	NA
+PJ029651	PLKKMF 	C37H62N8O7S	762.4463	NA	PeJP	NA	NA
+2993	kinases inhibitor	KKALRRQEVVDAL	762.44745	MH2+	Inhouse_peptide	NA	peptide
+PJ029652	STTTLLK 	C33H62N8O12	762.4487	NA	PeJP	NA	NA
+PJ029653	LLKKMM 	C34H66N8O7S2	762.4496	NA	PeJP	NA	NA
+PJ029654	GVLRRY 	C34H58N12O8	762.4501	NA	PeJP	NA	NA
+PJ029655	LLLLEY 	C38H62N6O10	762.4528	NA	PeJP	NA	NA
+PJ029656	TCKKKR 	C31H62N12O8S	762.4535	NA	PeJP	NA	NA
+MJ093533	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H66O12	762.455427	NA	MeJP	NA	NA
+MJ093534	Xestovanin A; 10,27-Didehydro 	C42H66O12	762.455427	NA	MeJP	NA	NA
+PJ029657	GTTTKKK 	C32H62N10O11	762.46	NA	PeJP	NA	NA
+PJ029658	LRRRY 	C33H58N14O7	762.4613	NA	PeJP	NA	NA
+PJ029659	VLLQKY 	C37H62N8O9	762.464	NA	PeJP	NA	NA
+MJ093535	14-Serratene-3,21-diol, 21-Ac, 3-O-[4-hydroxycinnamoyl-(?4)-?-L-arabinopyranoside] 	C46H66O9	762.470683	NA	MeJP	NA	NA
+PJ029660	ALLKRY 	C36H62N10O8	762.4752	NA	PeJP	NA	NA
+PJ029661	PPPVVVR 	C36H62N10O8	762.4753	NA	PeJP	NA	NA
+PJ029662	TKKKKM 	C33H66N10O8S	762.4786	NA	PeJP	NA	NA
+PJ029663	GKKKFR 	C35H62N12O7	762.4865	NA	PeJP	NA	NA
+MJ093536	Erythromycin; 9-Methyl oxime 	C38H70N2O13	762.48779	NA	MeJP	NA	NA
+MJ093537	Narasin A; 20-Ketone 	C43H70O11	762.491813	NA	MeJP	NA	NA
+PJ029664	VLLKKY 	C38H66N8O8	762.5004	NA	PeJP	NA	NA
+MJ093538	Yendolipin 	C48H78N2O5	762.591073	NA	MeJP	NA	NA
+HMDB07616	DG(22:0/24:1(15Z)/0:0)	C49H94O5	762.710144	NA	HMDB2010	NA	NA
+HMDB07644	DG(22:1(13Z)/24:0/0:0)	C49H94O5	762.710144	NA	HMDB2010	NA	NA
+HMDB07812	DG(24:0/22:1(13Z)/0:0)	C49H94O5	762.710144	NA	HMDB2010	NA	NA
+HMDB07840	DG(24:1(15Z)/22:0/0:0)	C49H94O5	762.710144	NA	HMDB2010	NA	NA
+MJ093539	20(29)-Lupen-3-ol, Tricosanoyl 	C53H94O2	762.725382	NA	MeJP	NA	NA
+MJ093540	Iotrizoic acid 	C18H24I3NO8	762.863597	NA	MeJP	NA	NA
+C04899	(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine	C21H32N7O18P3	763.1017	NA	KEGG	NA	NA
+PJ029665	CCCCCDD 	C23H37N7O12S5	763.1104	NA	PeJP	NA	NA
+PJ029666	SCCCCDM 	C24H41N7O11S5	763.1468	NA	PeJP	NA	NA
+PJ029667	ACCCCMM 	C25H45N7O8S6	763.1654	NA	PeJP	NA	NA
+PJ029668	GCCCCEF 	C28H41N7O10S4	763.1798	NA	PeJP	NA	NA
+PJ029669	SSCCCMM 	C25H45N7O10S5	763.1832	NA	PeJP	NA	NA
+PJ029670	GCCDDDH 	C26H37N9O14S2	763.1902	NA	PeJP	NA	NA
+PJ029671	CCCCFW 	C32H41N7O7S4	763.1951	NA	PeJP	NA	NA
+PJ029672	GSCCCEY 	C28H41N7O12S3	763.1976	NA	PeJP	NA	NA
+C11245	Glucuronosyletoposide	C35H39O19	763.2086	NA	KEGG	NA	NA
+PJ029673	SPCCCDH 	C27H41N9O11S3	763.2088	NA	PeJP	NA	NA
+PJ029674	SCCCYW 	C32H41N7O9S3	763.2128	NA	PeJP	NA	NA
+PJ029675	SSSCCDY 	C28H41N7O14S2	763.2153	NA	PeJP	NA	NA
+PJ029676	CCNMMY 	C29H45N7O9S4	763.2162	NA	PeJP	NA	NA
+PJ029677	GCCCNQH 	C26H41N11O10S3	763.22	NA	PeJP	NA	NA
+PJ029678	GGGGACCCH 	C26H41N11O10S3	763.2201	NA	PeJP	NA	NA
+PJ029679	GNNDDDD 	C26H37N9O18	763.2257	NA	PeJP	NA	NA
+PJ029680	GSCDDMH 	C27H41N9O13S2	763.2266	NA	PeJP	NA	NA
+PJ029681	APCCCMH 	C28H45N9O8S4	763.2274	NA	PeJP	NA	NA
+PJ029682	CCNDFY 	C32H41N7O11S2	763.2306	NA	PeJP	NA	NA
+PJ029683	GPDDDDM 	C28H41N7O16S	763.2331	NA	PeJP	NA	NA
+PJ029684	GSTCCMY 	C29H45N7O11S3	763.2339	NA	PeJP	NA	NA
+PJ029685	SSCCNNH 	C26H41N11O12S2	763.2378	NA	PeJP	NA	NA
+PJ029686	SCCEHW 	C31H41N9O10S2	763.2418	NA	PeJP	NA	NA
+PJ029687	SSSCDEH 	C27H41N9O15S	763.2443	NA	PeJP	NA	NA
+PJ029688	CNEMMH 	C28H45N9O10S3	763.2452	NA	PeJP	NA	NA
+MJ093541	Antibiotic SF 2575; 12a-O-De-Me 	C39H41NO15	763.247619	NA	MeJP	NA	NA
+PJ029689	PCDDEW 	C32H41N7O13S	763.2483	NA	PeJP	NA	NA
+PJ029690	CCNMFF 	C33H45N7O8S3	763.2492	NA	PeJP	NA	NA
+PJ029691	NDEEEE 	C28H41N7O18	763.2508	NA	PeJP	NA	NA
+PJ029692	SSSSCMY 	C29H45N7O13S2	763.2517	NA	PeJP	NA	NA
+PJ029693	GCNNNNE 	C26H41N11O14S	763.2555	NA	PeJP	NA	NA
+PJ029694	GGGCNNNE 	C26H41N11O14S	763.2556	NA	PeJP	NA	NA
+PJ029695	CCDMHR 	C27H45N11O9S3	763.2564	NA	PeJP	NA	NA
+PJ029696	CNDEHF 	C31H41N9O12S	763.2596	NA	PeJP	NA	NA
+PJ029697	GCMMHW 	C32H45N9O7S3	763.2604	NA	PeJP	NA	NA
+PJ029698	DDDDER 	C27H41N9O17	763.2621	NA	PeJP	NA	NA
+PJ029699	GSSDMMH 	C28H45N9O12S2	763.2629	NA	PeJP	NA	NA
+PJ029700	GGGPCNEM 	C28H45N9O12S2	763.263	NA	PeJP	NA	NA
+PJ029701	CCQHHH 	C29H41N13O8S2	763.2643	NA	PeJP	NA	NA
+PJ029702	GDEEEW 	C32H41N7O15	763.2661	NA	PeJP	NA	NA
+PJ029703	ACNMYY 	C33H45N7O10S2	763.2669	NA	PeJP	NA	NA
+PJ029704	GCQMYY 	C33H45N7O10S2	763.267	NA	PeJP	NA	NA
+MJ093542	Perdeacyleuojaponin; 1,2,8,9,14-Penta-Ac 	C36H45NO17	763.268749	NA	MeJP	NA	NA
+MJ093543	Perdeacyleuojaponin; 8-Epimer, 1,2,6,9,14-penta-Ac 	C36H45NO17	763.268749	NA	MeJP	NA	NA
+MJ093544	Perdeacylhypoglaunine; 23-Deoxy, 1,6,8,9,14-penta-Ac 	C36H45NO17	763.268749	NA	MeJP	NA	NA
+MJ093545	Perdeacylhypoglaunine; 23-Deoxy, 2,6,8,9,14-penta-Ac 	C36H45NO17	763.268749	NA	MeJP	NA	NA
+PJ029705	GSPDEEM 	C29H45N7O15S	763.2695	NA	PeJP	NA	NA
+PJ029706	GPPCEMM 	C30H49N7O10S3	763.2703	NA	PeJP	NA	NA
+PJ029707	CNNNNW 	C30H41N11O11S	763.2708	NA	PeJP	NA	NA
+PJ029708	SSNNNND 	C26H41N11O16	763.2733	NA	PeJP	NA	NA
+PJ029709	GPCCNDR 	C27H45N11O11S2	763.2742	NA	PeJP	NA	NA
+PJ029710	GCDHFW 	C35H41N9O9S	763.2748	NA	PeJP	NA	NA
+PJ029711	SNNDEW 	C31H41N9O14	763.2773	NA	PeJP	NA	NA
+PJ029712	STCMHW 	C32H45N9O9S2	763.2782	NA	PeJP	NA	NA
+PJ029713	SSSSEMH 	C28H45N9O14S	763.2807	NA	PeJP	NA	NA
+PJ029714	DEEWW 	C36H41N7O12	763.2814	NA	PeJP	NA	NA
+PJ029715	SQMMMH 	C29H49N9O9S3	763.2816	NA	PeJP	NA	NA
+PJ029716	GSSCHHH 	C29H41N13O10S	763.282	NA	PeJP	NA	NA
+PJ029717	SPDEMW 	C33H45N7O12S	763.2847	NA	PeJP	NA	NA
+PJ029718	PPCMMW 	C34H49N7O7S3	763.2856	NA	PeJP	NA	NA
+PJ029719	TQEEEE 	C29H45N7O17	763.2872	NA	PeJP	NA	NA
+PJ029720	PQEEMM 	C30H49N7O12S2	763.2881	NA	PeJP	NA	NA
+PJ029721	GSPDDHH 	C30H41N11O13	763.2886	NA	PeJP	NA	NA
+PJ029722	APPCCHH 	C31H45N11O8S2	763.2894	NA	PeJP	NA	NA
+PJ029723	NNDDMR 	C27H45N11O13S	763.2919	NA	PeJP	NA	NA
+PJ029724	GGGGDDMR 	C27H45N11O13S	763.292	NA	PeJP	NA	NA
+PJ029725	GSNDWW 	C35H41N9O11	763.2926	NA	PeJP	NA	NA
+PJ029726	SCMMHR 	C28H49N11O8S3	763.2928	NA	PeJP	NA	NA
+PJ029727	ANNEMW 	C32H45N9O11S	763.2959	NA	PeJP	NA	NA
+PJ029728	GNQEMW 	C32H45N9O11S	763.296	NA	PeJP	NA	NA
+PJ029729	ASSNQEE 	C28H45N9O16	763.2984	NA	PeJP	NA	NA
+PJ029730	SDEEER 	C28H45N9O16	763.2985	NA	PeJP	NA	NA
+PJ029731	PDDMMR 	C29H49N9O11S2	763.2993	NA	PeJP	NA	NA
+PJ029732	NNNEHH 	C29H41N13O12	763.2998	NA	PeJP	NA	NA
+PJ029733	PPCDFW 	C37H45N7O9S	763.3	NA	PeJP	NA	NA
+PJ029734	CCKHHH 	C30H45N13O7S2	763.3007	NA	PeJP	NA	NA
+PJ029735	ATEEEW 	C33H45N7O14	763.3025	NA	PeJP	NA	NA
+PJ029736	GSCNNNR 	C26H45N13O12S	763.3032	NA	PeJP	NA	NA
+PJ029737	APEMMW 	C34H49N7O9S2	763.3033	NA	PeJP	NA	NA
+PJ029738	PVCEMW 	C34H49N7O9S2	763.3034	NA	PeJP	NA	NA
+PJ029739	ASPTEEM 	C30H49N7O14S	763.3058	NA	PeJP	NA	NA
+PJ029740	VQEEEM 	C30H49N7O14S	763.3059	NA	PeJP	NA	NA
+PJ029741	GPPTMMM 	C31H53N7O9S3	763.3067	NA	PeJP	NA	NA
+PJ029742	GCNERW 	C31H45N11O10S	763.3072	NA	PeJP	NA	NA
+PJ029743	GSSNDER 	C27H45N11O15	763.3097	NA	PeJP	NA	NA
+PJ029744	GSPCNMR 	C28H49N11O10S2	763.3106	NA	PeJP	NA	NA
+PJ029745	NQMWW 	C36H45N9O8S	763.3112	NA	PeJP	NA	NA
+PJ029746	SSQQEW 	C32H45N9O13	763.3137	NA	PeJP	NA	NA
+PJ029747	PCCQKW 	C33H49N9O8S2	763.3146	NA	PeJP	NA	NA
+PJ029748	GNNHHW 	C33H41N13O9	763.3151	NA	PeJP	NA	NA
+PJ029749	AEEEMR 	C29H49N9O13S	763.3171	NA	PeJP	NA	NA
+PJ029750	SPPDYW 	C37H45N7O11	763.3177	NA	PeJP	NA	NA
+PJ029751	SKMMMH 	C30H53N9O8S3	763.3179	NA	PeJP	NA	NA
+PJ029752	PCDHHR 	C30H45N13O9S	763.3184	NA	PeJP	NA	NA
+MJ093546	Taxol?; N-Debenzoyl, N-propanoyl, 10-de-Ac 	C41H49NO13	763.32039	NA	MeJP	NA	NA
+PJ029753	GLEEMW 	C34H49N7O11S	763.3211	NA	PeJP	NA	NA
+PJ029754	CNRWW 	C35H45N11O7S	763.3224	NA	PeJP	NA	NA
+PJ029755	GGCRWW 	C35H45N11O7S	763.3225	NA	PeJP	NA	NA
+PJ029756	TKEEEE 	C30H49N7O16	763.3236	NA	PeJP	NA	NA
+PJ029757	PKEEMM 	C31H53N7O11S2	763.3245	NA	PeJP	NA	NA
+PJ029758	SSNDRW 	C31H45N11O12	763.3249	NA	PeJP	NA	NA
+PJ029759	GGGGNQQF 	C31H45N11O12	763.325	NA	PeJP	NA	NA
+PJ029760	ACMHFR 	C32H49N11O7S2	763.3258	NA	PeJP	NA	NA
+PJ029761	SNQEMR 	C28H49N11O12S	763.3283	NA	PeJP	NA	NA
+PJ029762	GSTQWW 	C36H45N9O10	763.329	NA	PeJP	NA	NA
+PJ029763	GNKEMW 	C33H49N9O10S	763.3323	NA	PeJP	NA	NA
+PJ029764	GGGGSLMW 	C33H49N9O10S	763.3324	NA	PeJP	NA	NA
+PJ029765	PEFWW 	C41H45N7O8	763.333	NA	PeJP	NA	NA
+PJ029766	TTEEER 	C29H49N9O15	763.3348	NA	PeJP	NA	NA
+PJ029767	GGGSTKEE 	C29H49N9O15	763.3349	NA	PeJP	NA	NA
+PJ029768	PTEMMR 	C30H53N9O10S2	763.3357	NA	PeJP	NA	NA
+PJ029769	GEEHHR 	C30H45N13O11	763.3362	NA	PeJP	NA	NA
+PJ029770	LEMWW 	C38H49N7O8S	763.3364	NA	PeJP	NA	NA
+PJ029771	STLEEW 	C34H49N7O13	763.3389	NA	PeJP	NA	NA
+PJ029772	SCNERR 	C27H49N13O11S	763.3396	NA	PeJP	NA	NA
+PJ029773	SPLMMW 	C35H53N7O8S2	763.3397	NA	PeJP	NA	NA
+PJ029774	GVEHHW 	C35H45N11O9	763.3402	NA	PeJP	NA	NA
+PJ029775	VKEEEM 	C31H53N7O13S	763.3422	NA	PeJP	NA	NA
+PJ029776	AAPLMMM 	C32H57N7O8S3	763.3431	NA	PeJP	NA	NA
+PJ029777	GSQMRW 	C32H49N11O9S	763.3436	NA	PeJP	NA	NA
+PJ029778	QHFFW 	C40H45N9O7	763.3442	NA	PeJP	NA	NA
+PJ029779	GSSTQER 	C28H49N11O14	763.3461	NA	PeJP	NA	NA
+PJ029780	AQQMMR 	C29H53N11O9S2	763.3469	NA	PeJP	NA	NA
+PJ029781	GGVNMMR 	C29H53N11O9S2	763.347	NA	PeJP	NA	NA
+PJ029782	SNNHHR 	C29H45N15O10	763.3474	NA	PeJP	NA	NA
+PJ029783	NKMWW 	C37H49N9O7S	763.3476	NA	PeJP	NA	NA
+PJ029784	SSQKEW 	C33H49N9O12	763.3501	NA	PeJP	NA	NA
+PJ029785	PCCKKW 	C34H53N9O7S2	763.351	NA	PeJP	NA	NA
+PJ029786	EHHRW 	C34H45N13O8	763.3514	NA	PeJP	NA	NA
+PJ029787	SLEEMR 	C30H53N9O12S	763.3535	NA	PeJP	NA	NA
+MJ093547	Virginiamycin S5 	C38H49N7O10	763.35409	NA	MeJP	NA	NA
+PJ029788	GPLEYW 	C38H49N7O10	763.3541	NA	PeJP	NA	NA
+PJ029789	PVMMMR 	C31H57N9O7S3	763.3543	NA	PeJP	NA	NA
+PJ029790	GSCRRW 	C31H49N13O8S	763.3548	NA	PeJP	NA	NA
+PJ029791	VHHWW 	C39H45N11O6	763.3555	NA	PeJP	NA	NA
+PJ029792	GSSSDRR 	C27H49N13O13	763.3573	NA	PeJP	NA	NA
+PJ029793	SVLEMW 	C35H53N7O10S	763.3575	NA	PeJP	NA	NA
+PJ029794	GNMMRR 	C28H53N13O8S2	763.3582	NA	PeJP	NA	NA
+PJ029795	SSSLLEE 	C31H53N7O15	763.36	NA	PeJP	NA	NA
+PJ029796	LLQEMM 	C32H57N7O10S2	763.3609	NA	PeJP	NA	NA
+PJ029797	SSTQRW 	C32H49N11O11	763.3613	NA	PeJP	NA	NA
+PJ029798	GGGAAEFR 	C32H49N11O11	763.3614	NA	PeJP	NA	NA
+PJ029799	SNKEMR 	C29H53N11O11S	763.3647	NA	PeJP	NA	NA
+PJ029800	ASSKWW 	C37H49N9O9	763.3653	NA	PeJP	NA	NA
+PJ029801	GSTKWW 	C37H49N9O9	763.3654	NA	PeJP	NA	NA
+3986	NA	LGQQQPFPPQQPY	763.367	MH2+	Inhouse_peptide	NA	peptide
+PJ029802	GDKKMW 	C34H53N9O9S	763.3687	NA	PeJP	NA	NA
+PJ029803	PLYWW 	C42H49N7O7	763.3694	NA	PeJP	NA	NA
+PJ029804	GSSKKEE 	C30H53N9O14	763.3712	NA	PeJP	NA	NA
+PJ029805	VVEMMR 	C31H57N9O9S2	763.3721	NA	PeJP	NA	NA
+PJ029806	GNDFRR 	C31H49N13O10	763.3726	NA	PeJP	NA	NA
+MJ093548	Septide 	C39H53N7O7S	763.372717	NA	MeJP	NA	NA
+PJ029807	APLMFW 	C39H53N7O7S	763.3728	NA	PeJP	NA	NA
+PJ029808	PVKEEY 	C35H53N7O12	763.3752	NA	PeJP	NA	NA
+PJ029809	VLQEEF 	C35H53N7O12	763.3753	NA	PeJP	NA	NA
+PJ029810	SSQMRR 	C28H53N13O10S	763.3759	NA	PeJP	NA	NA
+PJ029811	ALLMMW 	C36H57N7O7S2	763.3761	NA	PeJP	NA	NA
+PJ029812	QQFRW 	C36H49N11O8	763.3766	NA	PeJP	NA	NA
+PJ029813	GTTLLEM 	C32H57N7O12S	763.3786	NA	PeJP	NA	NA
+24	Hemoglobin	VVYPWT	763.379	celiac toxic	Inhouse_peptide	NA	peptide
+PJ029814	GSKMRW 	C33H53N11O8S	763.38	NA	PeJP	NA	NA
+PJ029815	KHFFW 	C41H49N9O6	763.3806	NA	PeJP	NA	NA
+PJ029816	SSSSLQR 	C29H53N11O13	763.3824	NA	PeJP	NA	NA
+PJ029817	GSSTKER 	C29H53N11O13	763.3825	NA	PeJP	NA	NA
+PJ029818	AQKMMR 	C30H57N11O8S2	763.3833	NA	PeJP	NA	NA
+PJ029819	SSKKEW 	C34H53N9O11	763.3865	NA	PeJP	NA	NA
+PJ029820	SSCRRR 	C27H53N15O9S	763.3872	NA	PeJP	NA	NA
+PJ029821	APHHFR 	C35H49N13O7	763.3878	NA	PeJP	NA	NA
+PJ029822	SSSPKKM 	C31H57N9O11S	763.3898	NA	PeJP	NA	NA
+PJ029823	TQKKEM 	C31H57N9O11S	763.3899	NA	PeJP	NA	NA
+PJ029824	SPVLYW 	C39H53N7O9	763.3905	NA	PeJP	NA	NA
+PJ029825	ALMHHR 	C32H53N13O7S	763.3912	NA	PeJP	NA	NA
+PJ029826	GSSTTRR 	C28H53N13O12	763.3937	NA	PeJP	NA	NA
+PJ029827	TTLLMW 	C36H57N7O9S	763.3939	NA	PeJP	NA	NA
+PJ029828	ACKMRR 	C29H57N13O7S2	763.3946	NA	PeJP	NA	NA
+PJ029829	STTTLLE 	C32H57N7O14	763.3964	NA	PeJP	NA	NA
+PJ029830	ASVLLMM 	C33H61N7O9S2	763.3972	NA	PeJP	NA	NA
+PJ029831	LLKEMM 	C33H61N7O9S2	763.3973	NA	PeJP	NA	NA
+PJ029832	SSTKRW 	C33H53N11O10	763.3977	NA	PeJP	NA	NA
+3063	fragment of human b-casein fr:105-117	QPTIPFFDPQIPK	763.39795	MH2+	Inhouse_peptide	NA	peptide
+MJ093549	Fumonisin A1 	C36H61NO16	763.399034	NA	MeJP	NA	NA
+PJ029833	SDKKMR 	C30H57N11O10S	763.4011	NA	PeJP	NA	NA
+PJ029834	GVQKFW 	C38H53N9O8	763.4017	NA	PeJP	NA	NA
+PJ029835	GGGLKFW 	C38H53N9O8	763.4018	NA	PeJP	NA	NA
+PJ029836	ATKKMW 	C35H57N9O8S	763.4051	NA	PeJP	NA	NA
+PJ029837	LLFWW 	C43H53N7O6	763.4058	NA	PeJP	NA	NA
+PJ029838	GTTTKKE 	C31H57N9O13	763.4076	NA	PeJP	NA	NA
+PJ029839	TLLMMR 	C32H61N9O8S2	763.4085	NA	PeJP	NA	NA
+PJ029840	SQKKHH 	C32H53N13O9	763.4089	NA	PeJP	NA	NA
+PJ029841	AAQRRY 	C32H53N13O9	763.409	NA	PeJP	NA	NA
+PJ029842	VLLQEY 	C36H57N7O11	763.4116	NA	PeJP	NA	NA
+PJ029843	SSKMRR 	C29H57N13O9S	763.4123	NA	PeJP	NA	NA
+PJ029844	QKFRW 	C37H53N11O7	763.413	NA	PeJP	NA	NA
+PJ029845	SSTLLLM 	C33H61N7O11S	763.415	NA	PeJP	NA	NA
+PJ029846	VLKMHH 	C34H57N11O7S	763.4164	NA	PeJP	NA	NA
+PJ029847	SSSSLKR 	C30H57N11O12	763.4188	NA	PeJP	NA	NA
+PJ029848	AKKMMR 	C31H61N11O7S2	763.4197	NA	PeJP	NA	NA
+PJ029849	NRRRY 	C31H53N15O8	763.4202	NA	PeJP	NA	NA
+PJ029850	TTTKKW 	C35H57N9O10	763.4229	NA	PeJP	NA	NA
+PJ029851	TKKKEM 	C32H61N9O10S	763.4262	NA	PeJP	NA	NA
+PJ029852	GLLLYW 	C40H57N7O8	763.4269	NA	PeJP	NA	NA
+PJ029853	PLLKMY 	C37H61N7O8S	763.4303	NA	PeJP	NA	NA
+PJ029854	GLQKRY 	C34H57N11O9	763.4341	NA	PeJP	NA	NA
+PJ029855	TTKKMR 	C31H61N11O9S	763.4375	NA	PeJP	NA	NA
+PJ029856	GVKKFW 	C39H57N9O7	763.4381	NA	PeJP	NA	NA
+PJ029857	VVLMFR 	C36H61N9O7S	763.4415	NA	PeJP	NA	NA
+PJ029858	SSTTLKK 	C32H61N9O12	763.444	NA	PeJP	NA	NA
+PJ029859	VKKKMM 	C33H65N9O7S2	763.4449	NA	PeJP	NA	NA
+PJ029860	AAKRRY 	C33H57N13O8	763.4453	NA	PeJP	NA	NA
+PJ029861	GGPLKHR 	C33H57N13O8	763.4454	NA	PeJP	NA	NA
+PJ029862	VLLKEY 	C37H61N7O10	763.448	NA	PeJP	NA	NA
+PJ029863	KKFRW 	C38H57N11O6	763.4494	NA	PeJP	NA	NA
+MJ093550	Antibiotic FR 900523; 31-O-De-Me 	C41H65NO12	763.450676	NA	MeJP	NA	NA
+MJ093551	Irumamycin 	C41H65NO12	763.450676	NA	MeJP	NA	NA
+PJ029864	APKHRR 	C32H57N15O7	763.4566	NA	PeJP	NA	NA
+PJ029865	VVQKKY 	C36H61N9O9	763.4592	NA	PeJP	NA	NA
+PJ029866	SLLLRY 	C36H61N9O9	763.4593	NA	PeJP	NA	NA
+PJ029867	PLLKFF 	C41H61N7O7	763.4633	NA	PeJP	NA	NA
+PJ029868	LLLKMF 	C38H65N7O7S	763.4667	NA	PeJP	NA	NA
+PJ029869	GLKKRY 	C35H61N11O8	763.4705	NA	PeJP	NA	NA
+PJ029870	PVKKHR 	C34H61N13O7	763.4817	NA	PeJP	NA	NA
+PJ029871	VVKKKY 	C37H65N9O8	763.4956	NA	PeJP	NA	NA
+PJ029872	GVLLLLH 	C37H65N9O8	763.4957	NA	PeJP	NA	NA
+PJ029873	LLLLHR 	C36H65N11O7	763.5069	NA	PeJP	NA	NA
+HMDB08946	PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB08977	PE(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB08978	PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09038	PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09071	PE(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09102	PE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09103	PE(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09133	PE(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09134	PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09166	PE(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09167	PE(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09198	PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09294	PE(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09325	PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09326	PE(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09358	PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09359	PE(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09390	PE(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09423	PE(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09454	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09455	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09617	PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09650	PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB09682	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	C43H74NO8P	763.515198	NA	HMDB2010	NA	NA
+HMDB05324	GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H74NO8P	763.5152	http://www.hmdb.ca/metabolites/HMDB05324	HMDB	NA	NA
+HMDB05324	GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C43H74NO8P	763.5152	HMDB05324	PFEM_hmdb_metabocards_official	NA	NA
+PJ029874	PPVLLLL 	C39H69N7O8	763.5208	NA	PeJP	NA	NA
+HMDB12356	PS(16:0/18:0)	C40H78NO10P	763.536316	NA	HMDB2010	NA	NA
+HMDB12376	PS(18:0/16:0)	C40H78NO10P	763.536316	NA	HMDB2010	NA	NA
+HMDB08260	PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))	C44H78NO7P	763.551575	NA	HMDB2010	NA	NA
+HMDB08261	PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(9Z))	C44H78NO7P	763.551575	NA	HMDB2010	NA	NA
+HMDB08521	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)	C44H78NO7P	763.551575	NA	HMDB2010	NA	NA
+HMDB11222	PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	C44H78NO7P	763.551575	NA	HMDB2010	NA	NA
+HMDB11280	PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	C44H78NO7P	763.551575	NA	HMDB2010	NA	NA
+HMDB11313	PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C44H78NO7P	763.551575	NA	HMDB2010	NA	NA
+EUR1068	SM(d18:1/16:0) [M-H+acetate]-	C39H80N2O6P	763.596501	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1068	SM(d18:1/16:0) [M-H+acetate]-	C39H80N2O6P	763.596501	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1068	SM(d18:1/16:0) [M-H+acetate]-	C39H80N2O6P	763.596501	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1068	SM(d18:1/16:0) [M-H+acetate]-	C39H80N2O6P	763.596501	masses lipides attendues	Inhousejuil11	NA	NA
+2593	tenecin-1 (1-15)	VTCDILSVEAKGVKLG	763.9354	MH2+	Inhouse_peptide	NA	peptide
+MJ093552	6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, 2-(Trichloroacetyl), hepta-Ac 	C28H35Cl3O18	764.088897	NA	MeJP	NA	NA
+MJ093553	6-O-?-D-Glucopyranosyl-D-mannose; ?-Pyranose-form, 2-(Trichloroacetyl), hepta-Ac 	C28H35Cl3O18	764.088897	NA	MeJP	NA	NA
+PJ029875	CCCCCCQ 	C23H40N8O9S6	764.1243	NA	PeJP	NA	NA
+PJ029876	GSSCCCCC 	C23H40N8O11S5	764.142	NA	PeJP	NA	NA
+PJ029877	CCCCCCK 	C24H44N8O8S6	764.1607	NA	PeJP	NA	NA
+MJ093554	Tin ethyl etiopurpurin; Dichloride 	C37H42Cl2N4O2Sn	764.170678	NA	MeJP	NA	NA
+PJ029878	GCCCCNY 	C27H40N8O10S4	764.175	NA	PeJP	NA	NA
+PJ029879	GGGCCCCY 	C27H40N8O10S4	764.1751	NA	PeJP	NA	NA
+PJ029880	CCDMMY 	C29H44N6O10S4	764.2002	NA	PeJP	NA	NA
+PJ029881	GCCCNEH 	C26H40N10O11S3	764.204	NA	PeJP	NA	NA
+PJ029882	GGGCCCEH 	C26H40N10O11S3	764.2041	NA	PeJP	NA	NA
+PJ029883	GNDDDDD 	C26H36N8O19	764.2097	NA	PeJP	NA	NA
+PJ029884	CCDDFY 	C32H40N6O12S2	764.2146	NA	PeJP	NA	NA
+MJ093555	1,2,4-Benzenetriol; 2-Me ether, 1,4-bis-O-[6-O-(4-hydroxy-3-methoxybenzoyl)-?-D-glucopyranoside] 	C35H40O19	764.216379	NA	MeJP	NA	NA
+PJ029885	CCMMMF 	C30H48N6O7S5	764.2188	NA	PeJP	NA	NA
+PJ029886	CCCNHW 	C30H40N10O8S3	764.2193	NA	PeJP	NA	NA
+PJ029887	SSCCNDH 	C26H40N10O13S2	764.2218	NA	PeJP	NA	NA
+PJ029888	SPCNDDD 	C27H40N8O16S	764.2283	NA	PeJP	NA	NA
+PJ029889	CDEMMH 	C28H44N8O11S3	764.2292	NA	PeJP	NA	NA
+PJ029890	SCDDYY 	C32H40N6O14S	764.2323	NA	PeJP	NA	NA
+PJ029891	CCDMFF 	C33H44N6O9S3	764.2332	NA	PeJP	NA	NA
+PJ029892	DDEEEE 	C28H40N6O19	764.2349	NA	PeJP	NA	NA
+PJ029893	SCMMMY 	C30H48N6O9S4	764.2366	NA	PeJP	NA	NA
+PJ029894	GCNNNDE 	C26H40N10O15S	764.2396	NA	PeJP	NA	NA
+PJ029895	GSCCQMH 	C27H44N10O10S3	764.2404	NA	PeJP	NA	NA
+PJ029896	CDDEHF 	C31H40N8O13S	764.2436	NA	PeJP	NA	NA
+PJ029897	GPPCCCW 	C32H44N8O8S3	764.2445	NA	PeJP	NA	NA
+PJ029898	GSNDDEE 	C27H40N8O18	764.2461	NA	PeJP	NA	NA
+PJ029899	GPCNDEM 	C28H44N8O13S2	764.247	NA	PeJP	NA	NA
+PJ029900	CCEHHH 	C29H40N12O9S2	764.2483	NA	PeJP	NA	NA
+PJ029901	GCEMYY 	C33H44N6O11S2	764.251	NA	PeJP	NA	NA
+PJ029902	GSCCCHR 	C26H44N12O9S3	764.2517	NA	PeJP	NA	NA
+PJ029903	CNNNDW 	C30H40N10O12S	764.2548	NA	PeJP	NA	NA
+PJ029904	SSNNNDD 	C26H40N10O17	764.2573	NA	PeJP	NA	NA
+PJ029905	GPCCDDR 	C27H44N10O12S2	764.2582	NA	PeJP	NA	NA
+PJ029906	SNDDEW 	C31H40N8O15	764.2613	NA	PeJP	NA	NA
+PJ029907	GGSDDEW 	C31H40N8O15	764.2614	NA	PeJP	NA	NA
+PJ029908	PCNDMW 	C32H44N8O10S2	764.2622	NA	PeJP	NA	NA
+PJ029909	NNEEEM 	C28H44N8O15S	764.2647	NA	PeJP	NA	NA
+PJ029910	SEMMMH 	C29H48N8O10S3	764.2656	NA	PeJP	NA	NA
+PJ029911	CMYYW 	C37H44N6O8S2	764.2662	NA	PeJP	NA	NA
+PJ029912	SSDMYY 	C33H44N6O13S	764.2687	NA	PeJP	NA	NA
+PJ029913	ACMMFY 	C34H48N6O8S3	764.2696	NA	PeJP	NA	NA
+PJ029914	TEEEEE 	C29H44N6O18	764.2712	NA	PeJP	NA	NA
+PJ029915	PEEEMM 	C30H48N6O13S2	764.2721	NA	PeJP	NA	NA
+PJ029916	CNNMHF 	C31H44N10O9S2	764.2734	NA	PeJP	NA	NA
+PJ029917	GGCNMHF 	C31H44N10O9S2	764.2735	NA	PeJP	NA	NA
+MJ093556	Methanofuran; 2''-Hydroxy 	C34H44N4O16	764.275231	NA	MeJP	NA	NA
+PJ029918	GSSSSTCH 	C27H44N10O14S	764.2759	NA	PeJP	NA	NA
+PJ029919	NDDDMR 	C27H44N10O14S	764.276	NA	PeJP	NA	NA
+PJ029920	GSDDWW 	C35H40N8O12	764.2766	NA	PeJP	NA	NA
+PJ029921	SPPCCCR 	C28H48N10O9S3	764.2768	NA	PeJP	NA	NA
+PJ029922	APCCWW 	C36H44N8O7S2	764.2775	NA	PeJP	NA	NA
+PJ029923	GNEEMW 	C32H44N8O12S	764.28	NA	PeJP	NA	NA
+PJ029924	PCMMHF 	C33H48N8O7S3	764.2808	NA	PeJP	NA	NA
+MJ093557	Boholmycin 	C27H48N4O21	764.281104	NA	MeJP	NA	NA
+PJ029925	GSSQEEE 	C28H44N8O17	764.2825	NA	PeJP	NA	NA
+PJ029926	GSPNEMM 	C29H48N8O12S2	764.2833	NA	PeJP	NA	NA
+PJ029927	GGGSPEMM 	C29H48N8O12S2	764.2834	NA	PeJP	NA	NA
+PJ029928	NNDEHH 	C29H40N12O13	764.2838	NA	PeJP	NA	NA
+PJ029929	GPCYYY 	C37H44N6O10S	764.284	NA	PeJP	NA	NA
+PJ029930	CLMMMH 	C30H52N8O7S4	764.2842	NA	PeJP	NA	NA
+PJ029931	TCMHHH 	C30H44N12O8S2	764.2847	NA	PeJP	NA	NA
+PJ029932	PDEEEF 	C33H44N6O15	764.2865	NA	PeJP	NA	NA
+PJ029933	GSCNNDR 	C26H44N12O13S	764.2872	NA	PeJP	NA	NA
+PJ029934	SVCMYY 	C34H48N6O10S2	764.2873	NA	PeJP	NA	NA
+PJ029935	GTMMYY 	C34H48N6O10S2	764.2874	NA	PeJP	NA	NA
+MJ093558	Javanicinoside B 	C37H48O17	764.28915	NA	MeJP	NA	NA
+PJ029936	VEEEEM 	C30H48N6O15S	764.2899	NA	PeJP	NA	NA
+PJ029937	GCDERW 	C31H44N10O11S	764.2912	NA	PeJP	NA	NA
+PJ029938	GSSDDER 	C27H44N10O16	764.2937	NA	PeJP	NA	NA
+PJ029939	GSPCDMR 	C28H48N10O11S2	764.2946	NA	PeJP	NA	NA
+PJ029940	NEMWW 	C36H44N8O9S	764.2952	NA	PeJP	NA	NA
+PJ029941	SSQEEW 	C32H44N8O14	764.2977	NA	PeJP	NA	NA
+PJ029942	SPNMMW 	C33H48N8O9S2	764.2986	NA	PeJP	NA	NA
+PJ029943	GNDHHW 	C33H40N12O10	764.2991	NA	PeJP	NA	NA
+PJ029944	CFFYW 	C41H44N6O7S	764.2992	NA	PeJP	NA	NA
+PJ029945	NDKEEM 	C29H48N8O14S	764.3011	NA	PeJP	NA	NA
+PJ029946	QEYYY 	C37H44N6O12	764.3017	NA	PeJP	NA	NA
+PJ029947	PQQMMM 	C30H52N8O9S3	764.302	NA	PeJP	NA	NA
+PJ029948	GSPCQHH 	C30H44N12O10S	764.3024	NA	PeJP	NA	NA
+PJ029949	GGGPTCHH 	C30H44N12O10S	764.3025	NA	PeJP	NA	NA
+PJ029950	ACMFFF 	C38H48N6O7S2	764.3026	NA	PeJP	NA	NA
+PJ029951	STTMYY 	C34H48N6O12S	764.3051	NA	PeJP	NA	NA
+PJ029952	CNNQMR 	C27H48N12O10S2	764.3058	NA	PeJP	NA	NA
+PJ029953	CDRWW 	C35H44N10O8S	764.3065	NA	PeJP	NA	NA
+PJ029954	ASSSNHY 	C31H44N10O13	764.3089	NA	PeJP	NA	NA
+PJ029955	SSDDRW 	C31H44N10O13	764.309	NA	PeJP	NA	NA
+PJ029956	PTCCRW 	C32H48N10O8S2	764.3098	NA	PeJP	NA	NA
+PJ029957	GMWWW 	C40H44N8O6S	764.3105	NA	PeJP	NA	NA
+PJ029958	SNEEMR 	C28H48N10O13S	764.3123	NA	PeJP	NA	NA
+PJ029959	GGGGGSDKM 	C28H48N10O13S	764.3124	NA	PeJP	NA	NA
+MJ093559	Pacidamycin 5 	C36H44N8O11	764.312954	NA	MeJP	NA	NA
+PJ029960	GSTEWW 	C36H44N8O11	764.313	NA	PeJP	NA	NA
+PJ029961	PCQMMR 	C29H52N10O8S3	764.3132	NA	PeJP	NA	NA
+PJ029962	ATQEMW 	C33H48N8O11S	764.3163	NA	PeJP	NA	NA
+PJ029963	GDKEMW 	C33H48N8O11S	764.3164	NA	PeJP	NA	NA
+PJ029964	AYYYW 	C41H44N6O9	764.317	NA	PeJP	NA	NA
+PJ029965	GGCCNRR 	C26H48N14O9S2	764.3171	NA	PeJP	NA	NA
+PJ029966	GMHHHF 	C34H44N12O7S	764.3177	NA	PeJP	NA	NA
+PJ029967	GTTTQEE 	C29H48N8O16	764.3188	NA	PeJP	NA	NA
+PJ029968	GSSKEEE 	C29H48N8O16	764.3189	NA	PeJP	NA	NA
+PJ029969	VQQEMM 	C30H52N8O11S2	764.3197	NA	PeJP	NA	NA
+PJ029970	SQQEHH 	C30H44N12O12	764.3202	NA	PeJP	NA	NA
+PJ029971	AAMFYY 	C38H48N6O9S	764.3204	NA	PeJP	NA	NA
+MetaCyc04113	methanofuran b []	C34H48N6O14	764.32285	NA	metacyc	NA	NA
+PJ029972	PVEEEY 	C34H48N6O14	764.3229	NA	PeJP	NA	NA
+PJ029973	SCDERR 	C27H48N12O12S	764.3236	NA	PeJP	NA	NA
+PJ029974	GNNQFW 	C35H44N10O10	764.3242	NA	PeJP	NA	NA
+PJ029975	PCCMRR 	C28H52N12O7S3	764.3244	NA	PeJP	NA	NA
+MJ093560	Hispidin A; 15-Deacyl, 15-Ac 	C38H52O16	764.325535	NA	MeJP	NA	NA
+MJ093561	Rohituka substance 2 	C38H52O16	764.325535	NA	MeJP	NA	NA
+MJ093562	Trichilia substance Tr C 	C38H52O16	764.325535	NA	MeJP	NA	NA
+PJ029976	GSEMRW 	C32H48N10O10S	764.3276	NA	PeJP	NA	NA
+PJ029977	STWWW 	C40H44N8O8	764.3282	NA	PeJP	NA	NA
+PJ029978	GSSTEER 	C28H48N10O15	764.3301	NA	PeJP	NA	NA
+PJ029979	AQEMMR 	C29H52N10O10S2	764.331	NA	PeJP	NA	NA
+PJ029980	SNDHHR 	C29H44N14O11	764.3314	NA	PeJP	NA	NA
+PJ029981	DKMWW 	C37H48N8O8S	764.3316	NA	PeJP	NA	NA
+PJ029982	SSKEEW 	C33H48N8O13	764.3341	NA	PeJP	NA	NA
+PJ029983	GLQMMW 	C34H52N8O8S2	764.335	NA	PeJP	NA	NA
+PJ029984	ATHHHY 	C34H44N12O9	764.3354	NA	PeJP	NA	NA
+PJ029985	GTQHHW 	C34H44N12O9	764.3355	NA	PeJP	NA	NA
+PJ029986	TQKEEM 	C30H52N8O13S	764.3375	NA	PeJP	NA	NA
+PJ029987	KEYYY 	C38H48N6O11	764.3381	NA	PeJP	NA	NA
+PJ029988	PQKMMM 	C31H56N8O8S3	764.3384	NA	PeJP	NA	NA
+PJ029989	VNQMHH 	C31H48N12O9S	764.3388	NA	PeJP	NA	NA
+PJ029990	SSSSNQR 	C27H48N12O14	764.3413	NA	PeJP	NA	NA
+PJ029991	PLEEMF 	C35H52N6O11S	764.3415	NA	PeJP	NA	NA
+PJ029992	GDMMRR 	C28H52N12O9S2	764.3422	NA	PeJP	NA	NA
+PJ029993	SMRWW 	C36H48N10O7S	764.3428	NA	PeJP	NA	NA
+PJ029994	GPCFRW 	C36H48N10O7S	764.3429	NA	PeJP	NA	NA
+PJ029995	LLEEMM 	C32H56N6O11S2	764.3449	NA	PeJP	NA	NA
+PJ029996	SSTERW 	C32H48N10O12	764.3453	NA	PeJP	NA	NA
+PJ029997	GGGSSSKW 	C32H48N10O12	764.3454	NA	PeJP	NA	NA
+PJ029998	AAMMRW 	C33H52N10O7S2	764.3462	NA	PeJP	NA	NA
+PJ029999	PTHHHH 	C33H44N14O8	764.3467	NA	PeJP	NA	NA
+PJ030000	SDKEMR 	C29H52N10O12S	764.3487	NA	PeJP	NA	NA
+PJ030001	SSSLWW 	C37H48N8O10	764.3494	NA	PeJP	NA	NA
+PJ030002	PCKMMR 	C30H56N10O7S3	764.3496	NA	PeJP	NA	NA
+PJ030003	GQMHHR 	C30H48N14O8S	764.3501	NA	PeJP	NA	NA
+PJ030004	ATKEMW 	C34H52N8O10S	764.3527	NA	PeJP	NA	NA
+PJ030005	GGGAPLMY 	C34H52N8O10S	764.3528	NA	PeJP	NA	NA
+PJ030006	AAFFFY 	C42H48N6O8	764.3534	NA	PeJP	NA	NA
+PJ030007	GTTTKEE 	C30H52N8O15	764.3552	NA	PeJP	NA	NA
+PJ030008	VQKEMM 	C31H56N8O10S2	764.3561	NA	PeJP	NA	NA
+PJ030009	GNQQRY 	C31H48N12O11	764.3566	NA	PeJP	NA	NA
+PJ030010	VLEEEF 	C35H52N6O13	764.3593	NA	PeJP	NA	NA
+PJ030011	SSEMRR 	C28H52N12O11S	764.3599	NA	PeJP	NA	NA
+PJ030012	TTCERR 	C28H52N12O11S	764.36	NA	PeJP	NA	NA
+PJ030013	GSPRYW 	C36H48N10O9	764.3606	NA	PeJP	NA	NA
+PJ030014	GCHHRR 	C29H48N16O7S	764.3613	NA	PeJP	NA	NA
+MJ093563	Ophioxanthol; 4,4'-Disulfate 	C40H60O10S2	764.362789	NA	MeJP	NA	NA
+PJ030015	ATTMRW 	C33H52N10O9S	764.364	NA	PeJP	NA	NA
+PJ030016	VQFWW 	C41H48N8O7	764.3646	NA	PeJP	NA	NA
+PJ030017	SSSSLER 	C29H52N10O14	764.3665	NA	PeJP	NA	NA
+PJ030018	SLQMMR 	C30H56N10O9S2	764.3673	NA	PeJP	NA	NA
+PJ030019	AKEMMR 	C30H56N10O9S2	764.3674	NA	PeJP	NA	NA
+PJ030020	STQHHR 	C30H48N14O10	764.3678	NA	PeJP	NA	NA
+PJ030021	GPKMFW 	C38H52N8O7S	764.368	NA	PeJP	NA	NA
+PJ030022	TTTKEW 	C34H52N8O12	764.3705	NA	PeJP	NA	NA
+PJ030023	GLKMMW 	C35H56N8O7S2	764.3714	NA	PeJP	NA	NA
+PJ030024	GTKHHW 	C35H48N12O8	764.3718	NA	PeJP	NA	NA
+PJ030025	TKKEEM 	C31H56N8O12S	764.3739	NA	PeJP	NA	NA
+PJ030026	PPLEFY 	C39H52N6O10	764.3745	NA	PeJP	NA	NA
+PJ030027	PKKMMM 	C32H60N8O7S3	764.3747	NA	PeJP	NA	NA
+PJ030028	APCRRY 	C32H52N12O8S	764.3752	NA	PeJP	NA	NA
+PJ030029	AFRWW 	C40H48N10O6	764.3759	NA	PeJP	NA	NA
+PJ030030	SSSSNKR 	C28H52N12O13	764.3777	NA	PeJP	NA	NA
+PJ030031	PLLEMY 	C36H56N6O10S	764.3779	NA	PeJP	NA	NA
+PJ030032	ATMMRR 	C29H56N12O8S2	764.3786	NA	PeJP	NA	NA
+PJ030033	TTTTRW 	C33H52N10O11	764.3817	NA	PeJP	NA	NA
+PJ030034	GGGGGGLKY 	C33H52N10O11	764.3818	NA	PeJP	NA	NA
+PJ030035	VVHHHH 	C34H48N14O7	764.3831	NA	PeJP	NA	NA
+PJ030036	TTKEMR 	C30H56N10O11S	764.3851	NA	PeJP	NA	NA
+PJ030037	APTKYW 	C38H52N8O9	764.3857	NA	PeJP	NA	NA
+PJ030038	GVLQYW 	C38H52N8O9	764.3858	NA	PeJP	NA	NA
+PJ030039	PPCHRR 	C31H52N14O7S	764.3865	NA	PeJP	NA	NA
+PJ030040	STLKMW 	C35H56N8O9S	764.3891	NA	PeJP	NA	NA
+PJ030041	SSTTLKE 	C31H56N8O14	764.3916	NA	PeJP	NA	NA
+PJ030042	VKKEMM 	C32H60N8O9S2	764.3925	NA	PeJP	NA	NA
+PJ030043	AAERRY 	C32H52N12O10	764.393	NA	PeJP	NA	NA
+PJ030044	VLLEEY 	C36H56N6O12	764.3956	NA	PeJP	NA	NA
+PJ030045	TTTMRR 	C29H56N12O10S	764.3963	NA	PeJP	NA	NA
+PJ030046	LQRYW 	C37H52N10O8	764.397	NA	PeJP	NA	NA
+MJ093564	16,23-Epoxycycloart-7-ene-3,15,16,24,25-pentol, 24-Ac, 3-O-(2-O-malonyl-?-D-xylopyranoside) 	C40H60O14	764.398306	NA	MeJP	NA	NA
+MJ093565	2,3,16,20,25-Pentahydroxy-5,23-cucurbitadiene-11,22-dione, 16-O-(2,3-Di-O-acetyl-?-D-allopyranoside) 	C40H60O14	764.398306	NA	MeJP	NA	NA
+MJ093566	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[[1S-(Carboxymethoxy)carboxymethyl]-(?3)-?-D-glucuronopyranoside] 	C40H60O14	764.398306	NA	MeJP	NA	NA
+MJ093567	Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C40H60O14	764.398306	NA	MeJP	NA	NA
+PJ030047	APKMRY 	C34H56N10O8S	764.4004	NA	PeJP	NA	NA
+PJ030048	VKFWW 	C42H52N8O6	764.401	NA	PeJP	NA	NA
+PJ030049	SSTTTLR 	C30H56N10O13	764.4028	NA	PeJP	NA	NA
+PJ030050	GGSSTTKK 	C30H56N10O13	764.4029	NA	PeJP	NA	NA
+PJ030051	SLKMMR 	C31H60N10O8S2	764.4037	NA	PeJP	NA	NA
+PJ030052	DRRRY 	C31H52N14O9	764.4042	NA	PeJP	NA	NA
+PJ030053	PTKKEY 	C35H56N8O11	764.4069	NA	PeJP	NA	NA
+PJ030054	TFRRW 	C36H52N12O7	764.4082	NA	PeJP	NA	NA
+PJ030055	SSSLLKM 	C32H60N8O11S	764.4102	NA	PeJP	NA	NA
+PJ030056	PPLLYY 	C40H56N6O9	764.4109	NA	PeJP	NA	NA
+PJ030057	GVMFRR 	C33H56N12O7S	764.4116	NA	PeJP	NA	NA
+PJ030058	LLLEMF 	C37H60N6O9S	764.4143	NA	PeJP	NA	NA
+PJ030059	CCKKKR 	C30H60N12O7S2	764.415	NA	PeJP	NA	NA
+PJ030060	GLKERY 	C34H56N10O10	764.4181	NA	PeJP	NA	NA
+PJ030061	GSSKKKM 	C31H60N10O10S	764.4215	NA	PeJP	NA	NA
+PJ030062	GVLKYW 	C39H56N8O8	764.4221	NA	PeJP	NA	NA
+PJ030063	MFRRR 	C32H56N14O6S	764.4228	NA	PeJP	NA	NA
+PJ030064	PVKKMY 	C36H60N8O8S	764.4255	NA	PeJP	NA	NA
+PJ030065	TTTTTLK 	C32H60N8O13	764.428	NA	PeJP	NA	NA
+MJ093568	3,27-Dihydroxy-12-oleanen-28-oic acid, 3,27-Bis(4-hydroxycinnamoyl)(E-) 	C48H60O8	764.428818	NA	MeJP	NA	NA
+MJ093569	3,27-Dihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxycinnamoyl)(E-), 27-(4-hydroxycinnamoyl)(Z-) 	C48H60O8	764.428818	NA	MeJP	NA	NA
+MJ093570	3,27-Dihydroxy-12-oleanen-28-oic acid, 3-(4-Hydroxycinnamoyl)(Z-), 27-(4-hydroxycinnamoyl)(E-) 	C48H60O8	764.428818	NA	MeJP	NA	NA
+PJ030066	GTLRRY 	C33H56N12O9	764.4294	NA	PeJP	NA	NA
+PJ030067	LKRYW 	C38H56N10O7	764.4334	NA	PeJP	NA	NA
+MJ093571	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093572	12-Oleanene-3,16,21,22,23,28-hexol, 28-Tigloyl, 3-O-?-D-glucuronopyranoside 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093573	2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093574	22,25-Epoxy-9(11)-holostene-3,12-diol, 3-O-[?-D-Quinovopyranosyl(1?2)-?-D-xylopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093575	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093576	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093577	3,25-Dihydroxy-18-oleanen-30-oic acid, 25-Aldehyde, 3-O-[?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093578	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-D-Xylopyranoside, 29-O-xylopyranosyl ester, 28-Me ester 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093579	3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093580	3-Hydroxy-12-ursene-27,28-dioic acid, 28-O-[?-D-Xylofuranosyl-(1?2)-?-L-rhamnopyranosyl] ester 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093581	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093582	3-Hydroxy-13(18)-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093583	3-Hydroxy-18-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093584	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093585	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093586	Digoxin; 12-Deoxy 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093587	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093588	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093589	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093590	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093591	Spirost-5-ene-1,3-diol, 1-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093592	Spirost-5-ene-1,3-diol, 1-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093593	Viranamycin A 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093594	?-Ilexanolic acid; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C41H64O13	764.434692	NA	MeJP	NA	NA
+MJ093595	?-Ilexanolic acid; [?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C41H64O13	764.434692	NA	MeJP	NA	NA
+C06955	Digitoxin	C41H64O13	764.4347	NA	KEGG	NA	NA
+C17041	Ophiopogonin A	C41H64O13	764.4347	NA	KEGG	NA	NA
+MJ093596	Hymenamide F 	C35H60N10O7S	764.436715	NA	MeJP	NA	NA
+PJ030068	ALKMFR 	C35H60N10O7S	764.4368	NA	PeJP	NA	NA
+PJ030069	SSSTKKK 	C31H60N10O12	764.4392	NA	PeJP	NA	NA
+PJ030070	CKKKKM 	C32H64N10O7S2	764.4401	NA	PeJP	NA	NA
+PJ030071	SPLHRR 	C32H56N14O8	764.4406	NA	PeJP	NA	NA
+PJ030072	VVKKEY 	C36H60N8O10	764.4433	NA	PeJP	NA	NA
+PJ030073	PLLLFY 	C41H60N6O8	764.4473	NA	PeJP	NA	NA
+MJ093597	3,21-Dihydroxy-12-oleanen-28-oic acid, 21-Cinnamoyl, 3-O-?-D-glucopyranoside 	C45H64O10	764.449948	NA	MeJP	NA	NA
+PJ030074	LLLLMY 	C38H64N6O8S	764.4507	NA	PeJP	NA	NA
+PJ030075	SVLKRY 	C35H60N10O9	764.4545	NA	PeJP	NA	NA
+MetaCyc04114	13-sophorosyloxydocosanoate 6',6-diacetate''$$$''$$$13-sophorosyloxydocosanoate diacetate;13-[O(2')-&beta;-D-glucopyranosyl-&beta;-D-glucopyranosyloxy]docosanoate O(6'),O(6)-diacetate;'''' []	C38H68O15	764.455822	NA	metacyc	NA	NA
+PJ030076	PVKKFF 	C40H60N8O7	764.4585	NA	PeJP	NA	NA
+PJ030077	VLKKMF 	C37H64N8O7S	764.4619	NA	PeJP	NA	NA
+PJ030078	VLLQHR 	C34H60N12O8	764.4657	NA	PeJP	NA	NA
+PJ030079	GGLLLHR 	C34H60N12O8	764.4658	NA	PeJP	NA	NA
+MJ093598	13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093599	3-Hydroxy-12-ursen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093600	3-Hydroxy-12-ursen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-?-D-glucopyranosyl ester 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093601	3-Hydroxy-18-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093602	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093603	Dinactin 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093604	Isoxestovanin A 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093605	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-fucopyranoside] 	C42H68O12	764.471077	NA	MeJP	NA	NA
+MJ093606	Xestovanin A 	C42H68O12	764.471077	NA	MeJP	NA	NA
+PJ030080	ALLHRR 	C33H60N14O7	764.477	NA	PeJP	NA	NA
+PJ030081	TLLKKY 	C37H64N8O9	764.4797	NA	PeJP	NA	NA
+PJ030082	LLLLFF 	C42H64N6O7	764.4837	NA	PeJP	NA	NA
+MJ093607	Nephila clavata Neurotoxin 2 JSTX-2 	C36H64N10O8	764.490859	NA	MeJP	NA	NA
+PJ030083	AKKKKY 	C36H64N10O8	764.4909	NA	PeJP	NA	NA
+PJ030084	VLLKHR 	C35H64N12O7	764.5021	NA	PeJP	NA	NA
+MJ093608	Lipohexin 	C39H68N6O9	764.504777	NA	MeJP	NA	NA
+MJ093609	24-Methylenecycloartan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C43H72O11	764.507463	NA	MeJP	NA	NA
+MJ093610	Narasin A 	C43H72O11	764.507463	NA	MeJP	NA	NA
+PJ030085	PPVVLLK 	C38H68N8O8	764.5161	NA	PeJP	NA	NA
+MJ093611	Belamcandone P 	C48H76O7	764.559104	NA	MeJP	NA	NA
+MJ093612	Loroxanthin; 19-(2-Dodecenoyl) 	C52H76O4	764.57436	NA	MeJP	NA	NA
+MJ093613	Demethoxycoenzyme Q9 	C53H80O3	764.610746	NA	MeJP	NA	NA
+MJ093614	20(29)-Lupen-3-ol, 3-Hydroxydocosanoyl 	C52H92O3	764.704646	NA	MeJP	NA	NA
+HMDB07615	DG(22:0/24:0/0:0)	C49H96O5	764.725769	NA	HMDB2010	NA	NA
+HMDB07811	DG(24:0/22:0/0:0)	C49H96O5	764.725769	NA	HMDB2010	NA	NA
+MJ093615	Cholest-5-en-3-ol, Hexacosanoyl 	C53H96O2	764.741032	NA	MeJP	NA	NA
+MJ093616	Stigmast-5-en-3-ol, Tetracosanoyl 	C53H96O2	764.741032	NA	MeJP	NA	NA
+PJ030086	CCCCCCE 	C23H39N7O10S6	765.1083	NA	PeJP	NA	NA
+PJ030087	TCCCCCM 	C24H43N7O9S6	765.1447	NA	PeJP	NA	NA
+PJ030088	GCCCCDY 	C27H39N7O11S4	765.1591	NA	PeJP	NA	NA
+PJ030089	GCCCCMF 	C28H43N7O8S5	765.1777	NA	PeJP	NA	NA
+PJ030090	GCCCDEH 	C26H39N9O12S3	765.1881	NA	PeJP	NA	NA
+PJ030091	GDDDDDD 	C26H35N7O20	765.1937	NA	PeJP	NA	NA
+PJ030092	ATCCCCY 	C28H43N7O10S4	765.1954	NA	PeJP	NA	NA
+PJ030093	GSCCCMY 	C28H43N7O10S4	765.1955	NA	PeJP	NA	NA
+PJ030094	CCCDHW 	C30H39N9O9S3	765.2033	NA	PeJP	NA	NA
+PJ030095	SSCCDDH 	C26H39N9O14S2	765.2058	NA	PeJP	NA	NA
+PJ030096	PTCCCCH 	C27H43N9O9S4	765.2067	NA	PeJP	NA	NA
+PJ030097	SPCDDDD 	C27H39N7O17S	765.2123	NA	PeJP	NA	NA
+PJ030098	SSTCCCY 	C28H43N7O12S3	765.2132	NA	PeJP	NA	NA
+PJ030099	GCNNDDE 	C26H39N9O16S	765.2236	NA	PeJP	NA	NA
+PJ030100	GSCCEMH 	C27H43N9O11S3	765.2244	NA	PeJP	NA	NA
+PJ030101	CCCQFY 	C32H43N7O9S3	765.2285	NA	PeJP	NA	NA
+PJ030102	GSDDDEE 	C27H39N7O19	765.2301	NA	PeJP	NA	NA
+PJ030103	GPCDDEM 	C28H43N7O14S2	765.231	NA	PeJP	NA	NA
+PJ030104	CNNDDW 	C30H39N9O13S	765.2388	NA	PeJP	NA	NA
+PJ030105	GGGGCDDW 	C30H39N9O13S	765.2389	NA	PeJP	NA	NA
+PJ030106	SCCMHW 	C31H43N9O8S3	765.2397	NA	PeJP	NA	NA
+PJ030107	SSNNDDD 	C26H39N9O18	765.2413	NA	PeJP	NA	NA
+PJ030108	GGGGSSDDD 	C26H39N9O18	765.2414	NA	PeJP	NA	NA
+PJ030109	SSSCDMH 	C27H43N9O13S2	765.2422	NA	PeJP	NA	NA
+PJ030110	CNMMMH 	C28H47N9O8S4	765.2431	NA	PeJP	NA	NA
+PJ030111	SDDDEW 	C31H39N7O16	765.2454	NA	PeJP	NA	NA
+PJ030112	PCDDMW 	C32H43N7O11S2	765.2462	NA	PeJP	NA	NA
+PJ030113	NDEEEM 	C28H43N7O16S	765.2487	NA	PeJP	NA	NA
+PJ030114	SPPCCEM 	C29H47N7O11S3	765.2496	NA	PeJP	NA	NA
+PJ030115	GCNNNNM 	C26H43N11O12S2	765.2534	NA	PeJP	NA	NA
+PJ030116	GGGGGCNNM 	C26H43N11O12S2	765.2535	NA	PeJP	NA	NA
+PJ030117	GSPCCNW 	C31H43N9O10S2	765.2575	NA	PeJP	NA	NA
+PJ030118	DDDDMR 	C27H43N9O15S	765.26	NA	PeJP	NA	NA
+PJ030119	GSTCMMH 	C28H47N9O10S3	765.2608	NA	PeJP	NA	NA
+PJ030120	GGGGGPCMM 	C28H47N9O10S3	765.2609	NA	PeJP	NA	NA
+PJ030121	GDEEMW 	C32H43N7O13S	765.264	NA	PeJP	NA	NA
+PJ030122	CCCKFY 	C33H47N7O8S3	765.2649	NA	PeJP	NA	NA
+PJ030123	GSSEEEE 	C28H43N7O18	765.2665	NA	PeJP	NA	NA
+PJ030124	GSPDEMM 	C29H47N7O13S2	765.2674	NA	PeJP	NA	NA
+PJ030125	NDDEHH 	C29H39N11O14	765.2678	NA	PeJP	NA	NA
+PJ030126	GPPCMMM 	C30H51N7O8S4	765.2682	NA	PeJP	NA	NA
+PJ030127	GSCNDDR 	C26H43N11O14S	765.2712	NA	PeJP	NA	NA
+PJ030128	GPCCCQR 	C27H47N11O9S3	765.2721	NA	PeJP	NA	NA
+PJ030129	ACCHFW 	C35H43N9O7S2	765.2727	NA	PeJP	NA	NA
+PJ030130	SNNDMW 	C31H43N9O12S	765.2752	NA	PeJP	NA	NA
+PJ030131	SSSNNEE 	C27H43N9O17	765.2777	NA	PeJP	NA	NA
+PJ030132	SSSSMMH 	C28H47N9O12S2	765.2786	NA	PeJP	NA	NA
+PJ030133	DEMWW 	C36H43N7O10S	765.2792	NA	PeJP	NA	NA
+PJ030134	SSEEEW 	C32H43N7O15	765.2817	NA	PeJP	NA	NA
+PJ030135	GGPDEEY 	C32H43N7O15	765.2818	NA	PeJP	NA	NA
+PJ030136	SPDMMW 	C33H47N7O10S2	765.2826	NA	PeJP	NA	NA
+MetaCyc04115	methanofuran c []	C34H45N4O16	765.283056	NA	metacyc	NA	NA
+PJ030137	GDDHHW 	C33H39N11O11	765.2831	NA	PeJP	NA	NA
+MJ093617	Perdeacyleuojaponin; 9-(2-Hydroxy-2-methylpropanoyl), 1,6,8-tri-Ac 	C36H47NO17	765.284399	NA	MeJP	NA	NA
+PJ030138	TQEEEM 	C29H47N7O15S	765.2851	NA	PeJP	NA	NA
+PJ030139	EEYYY 	C37H43N5O13	765.2858	NA	PeJP	NA	NA
+PJ030140	PQEMMM 	C30H51N7O10S3	765.286	NA	PeJP	NA	NA
+PJ030141	GSPCEHH 	C30H43N11O11S	765.2865	NA	PeJP	NA	NA
+MJ093618	Trenudine 	C36H48ClN3O13	765.287566	NA	MeJP	NA	NA
+PJ030142	GSSSSNNN 	C26H43N11O16	765.2889	NA	PeJP	NA	NA
+PJ030143	GGGSSSSNN 	C26H43N11O16	765.289	NA	PeJP	NA	NA
+PJ030144	CNNEMR 	C27H47N11O11S2	765.2898	NA	PeJP	NA	NA
+PJ030145	GGGGGGACCK 	C27H47N11O11S2	765.2899	NA	PeJP	NA	NA
+PJ030146	GSCQWW 	C35H43N9O9S	765.2905	NA	PeJP	NA	NA
+C02574	O-Phosphoviomycin	C25H44N13O13P	765.2919	NA	KEGG	NA	NA
+MetaCyc04116	O-phosphoviomycin [Phosphoviomycin;]	C25H44N13O13P1	765.291915	NA	metacyc	NA	NA
+PJ030147	GSSSNEW 	C31H43N9O14	765.293	NA	PeJP	NA	NA
+PJ030148	GNQMMW 	C32H47N9O9S2	765.2938	NA	PeJP	NA	NA
+PJ030149	GGGQMMW 	C32H47N9O9S2	765.2939	NA	PeJP	NA	NA
+PJ030150	GSSQQEM 	C28H47N9O14S	765.2963	NA	PeJP	NA	NA
+PJ030151	SDEEMR 	C28H47N9O14S	765.2964	NA	PeJP	NA	NA
+PJ030152	GPDEYW 	C36H43N7O12	765.297	NA	PeJP	NA	NA
+PJ030153	PCEMMR 	C29H51N9O9S3	765.2972	NA	PeJP	NA	NA
+PJ030154	NNNMHH 	C29H43N13O10S	765.2977	NA	PeJP	NA	NA
+PJ030155	ATEEMW 	C33H47N7O12S	765.3004	NA	PeJP	NA	NA
+PJ030156	CCNDRR 	C26H47N13O10S2	765.3011	NA	PeJP	NA	NA
+PJ030157	APMMMW 	C34H51N7O7S3	765.3012	NA	PeJP	NA	NA
+PJ030158	SPCHHW 	C34H43N11O8S	765.3017	NA	PeJP	NA	NA
+PJ030159	GTTTEEE 	C29H47N7O17	765.3029	NA	PeJP	NA	NA
+PJ030160	VQEEMM 	C30H51N7O12S2	765.3037	NA	PeJP	NA	NA
+PJ030161	GGLEEMM 	C30H51N7O12S2	765.3038	NA	PeJP	NA	NA
+PJ030162	NNNNQY 	C30H43N11O13	765.3042	NA	PeJP	NA	NA
+PJ030163	GCNMRW 	C31H47N11O8S2	765.3051	NA	PeJP	NA	NA
+PJ030164	GSSNDMR 	C27H47N11O13S	765.3076	NA	PeJP	NA	NA
+PJ030165	SSSNWW 	C35H43N9O11	765.3082	NA	PeJP	NA	NA
+PJ030166	GGGGGEFW 	C35H43N9O11	765.3083	NA	PeJP	NA	NA
+PJ030167	GPCCCKR 	C28H51N11O8S3	765.3085	NA	PeJP	NA	NA
+PJ030168	SSQQMW 	C32H47N9O11S	765.3116	NA	PeJP	NA	NA
+PJ030169	PDYWW 	C40H43N7O9	765.3122	NA	PeJP	NA	NA
+PJ030170	SSSNDKE 	C28H47N9O16	765.3141	NA	PeJP	NA	NA
+PJ030171	AEEMMR 	C29H51N9O11S2	765.315	NA	PeJP	NA	NA
+PJ030172	SDDHHR 	C29H43N13O12	765.3154	NA	PeJP	NA	NA
+PJ030173	GGGSSQHH 	C29H43N13O12	765.3155	NA	PeJP	NA	NA
+PJ030174	PPTCYW 	C37H47N7O9S	765.3156	NA	PeJP	NA	NA
+PJ030175	TTTEEW 	C33H47N7O14	765.3181	NA	PeJP	NA	NA
+PJ030176	GLEMMW 	C34H51N7O9S2	765.319	NA	PeJP	NA	NA
+PJ030177	GTEHHW 	C34H43N11O10	765.3195	NA	PeJP	NA	NA
+PJ030178	TKEEEM 	C30H51N7O14S	765.3215	NA	PeJP	NA	NA
+PJ030179	PKEMMM 	C31H55N7O9S3	765.3224	NA	PeJP	NA	NA
+PJ030180	SSCQRW 	C31H47N11O10S	765.3228	NA	PeJP	NA	NA
+PJ030181	GGGGPCRY 	C31H47N11O10S	765.3229	NA	PeJP	NA	NA
+PJ030182	NNFWW 	C39H43N9O8	765.3235	NA	PeJP	NA	NA
+PJ030183	SSSSNER 	C27H47N11O15	765.3253	NA	PeJP	NA	NA
+PJ030184	SNQMMR 	C28H51N11O10S2	765.3262	NA	PeJP	NA	NA
+PJ030185	GSCKWW 	C36H47N9O8S	765.3269	NA	PeJP	NA	NA
+PJ030186	ASSSTQW 	C32H47N9O13	765.3293	NA	PeJP	NA	NA
+PJ030187	GSSSDKW 	C32H47N9O13	765.3294	NA	PeJP	NA	NA
+PJ030188	GNKMMW 	C33H51N9O8S2	765.3302	NA	PeJP	NA	NA
+PJ030189	PMFWW 	C41H47N7O6S	765.3309	NA	PeJP	NA	NA
+PJ030190	TTEEMR 	C29H51N9O13S	765.3327	NA	PeJP	NA	NA
+PJ030191	APTEYW 	C37H47N7O11	765.3334	NA	PeJP	NA	NA
+PJ030192	PTMMMR 	C30H55N9O8S3	765.3336	NA	PeJP	NA	NA
+PJ030193	GEMHHR 	C30H47N13O9S	765.3341	NA	PeJP	NA	NA
+PJ030194	LMMWW 	C38H51N7O6S2	765.3343	NA	PeJP	NA	NA
+PJ030195	THHWW 	C38H43N11O7	765.3347	NA	PeJP	NA	NA
+MJ093619	Antibiotic K 502; Antibiotic K 502-5 	C41H51NO13	765.33604	NA	MeJP	NA	NA
+PJ030196	STLEMW 	C34H51N7O11S	765.3367	NA	PeJP	NA	NA
+PJ030197	TTLDMW 	C34H51N7O11S	765.3368	NA	PeJP	NA	NA
+PJ030198	SCNMRR 	C27H51N13O9S2	765.3374	NA	PeJP	NA	NA
+PJ030199	GGSCMRR 	C27H51N13O9S2	765.3375	NA	PeJP	NA	NA
+PJ030200	GVMHHW 	C35H47N11O7S	765.3381	NA	PeJP	NA	NA
+PJ030201	SSTTLEE 	C30H51N7O16	765.3392	NA	PeJP	NA	NA
+PJ030202	TTTTLDD 	C30H51N7O16	765.3393	NA	PeJP	NA	NA
+PJ030203	VKEEMM 	C31H55N7O11S2	765.3401	NA	PeJP	NA	NA
+PJ030204	GSSSSRW 	C31H47N11O12	765.3406	NA	PeJP	NA	NA
+PJ030205	ACCKRW 	C32H51N11O7S2	765.3415	NA	PeJP	NA	NA
+PJ030206	AQHHHH 	C32H43N15O8	765.3419	NA	PeJP	NA	NA
+PJ030207	GAAHHHH 	C32H43N15O8	765.342	NA	PeJP	NA	NA
+PJ030208	GSSTQMR 	C28H51N11O12S	765.344	NA	PeJP	NA	NA
+PJ030209	AAQQYW 	C36H47N9O10	765.3446	NA	PeJP	NA	NA
+3634	NA	YPFGFH~	765.346	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ030210	SSQKMW 	C33H51N9O10S	765.348	NA	PeJP	NA	NA
+PJ030211	VEFWW 	C41H47N7O8	765.3486	NA	PeJP	NA	NA
+PJ030212	MHHRW 	C34H47N13O6S	765.3493	NA	PeJP	NA	NA
+PJ030213	SSSTQKE 	C29H51N9O15	765.3505	NA	PeJP	NA	NA
+PJ030214	SLEMMR 	C30H55N9O10S2	765.3514	NA	PeJP	NA	NA
+PJ030215	STEHHR 	C30H47N13O11	765.3518	NA	PeJP	NA	NA
+PJ030216	GGGGPEHR 	C30H47N13O11	765.3519	NA	PeJP	NA	NA
+PJ030217	GPLMYW 	C38H51N7O8S	765.352	NA	PeJP	NA	NA
+PJ030218	PTKEEY 	C34H51N7O13	765.3545	NA	PeJP	NA	NA
+PJ030219	GSSTCRR 	C27H51N13O11S	765.3552	NA	PeJP	NA	NA
+PJ030220	SVLMMW 	C35H55N7O8S2	765.3554	NA	PeJP	NA	NA
+PJ030221	NQRYW 	C35H47N11O9	765.3558	NA	PeJP	NA	NA
+PJ030222	GGQRYW 	C35H47N11O9	765.3559	NA	PeJP	NA	NA
+PJ030223	SSSLLEM 	C31H55N7O13S	765.3579	NA	PeJP	NA	NA
+PJ030224	LLQMMM 	C32H59N7O8S3	765.3588	NA	PeJP	NA	NA
+PJ030225	SSCKRW 	C32H51N11O9S	765.3592	NA	PeJP	NA	NA
+PJ030226	SSSSDKR 	C28H51N11O14	765.3617	NA	PeJP	NA	NA
+PJ030227	SNKMMR 	C29H55N11O9S2	765.3626	NA	PeJP	NA	NA
+PJ030228	PPVMHW 	C37H51N9O7S	765.3633	NA	PeJP	NA	NA
+7747	ACE inhibitor from Alaska Pollack frame protein	FGASTRGA	765.364	antioxidative	Inhouse_peptide	NA	peptide
+PJ030229	GSSTTKW 	C33H51N9O12	765.3657	NA	PeJP	NA	NA
+PJ030230	GLEERY 	C33H51N9O12	765.3658	NA	PeJP	NA	NA
+PJ030231	ACKKMW 	C34H55N9O7S2	765.3666	NA	PeJP	NA	NA
+PJ030232	GPNHRW 	C34H47N13O8	765.3671	NA	PeJP	NA	NA
+PJ030233	GSSKKEM 	C30H55N9O12S	765.3691	NA	PeJP	NA	NA
+PJ030234	GVLEYW 	C38H51N7O10	765.3698	NA	PeJP	NA	NA
+PJ030235	VVMMMR 	C31H59N9O7S3	765.37	NA	PeJP	NA	NA
+PJ030236	GCQFRR 	C31H51N13O8S	765.3705	NA	PeJP	NA	NA
+PJ030237	SSSSSRR 	C27H51N13O13	765.3729	NA	PeJP	NA	NA
+PJ030238	PVKEMY 	C35H55N7O10S	765.3731	NA	PeJP	NA	NA
+PJ030239	GGLLEMF 	C35H55N7O10S	765.3732	NA	PeJP	NA	NA
+PJ030240	TCCKRR 	C28H55N13O8S2	765.3738	NA	PeJP	NA	NA
+PJ030241	TTTTTLE 	C31H55N7O15	765.3756	NA	PeJP	NA	NA
+PJ030242	GTTLLMM 	C32H59N7O10S2	765.3765	NA	PeJP	NA	NA
+PJ030243	GNKERY 	C32H51N11O11	765.377	NA	PeJP	NA	NA
+MJ093620	Fumonisin C1; 3-Hydroxy, N-Ac 	C35H59NO17	765.378299	NA	MeJP	NA	NA
+PJ030244	AKHHHH 	C33H47N15O7	765.3783	NA	PeJP	NA	NA
+PJ030245	GSSTKMR 	C29H55N11O11S	765.3803	NA	PeJP	NA	NA
+PJ030246	LERYW 	C37H51N9O9	765.381	NA	PeJP	NA	NA
+PJ030247	SSKKMW 	C34H55N9O9S	765.3844	NA	PeJP	NA	NA
+PJ030248	VLYWW 	C42H51N7O7	765.385	NA	PeJP	NA	NA
+PJ030249	SSSTKKE 	C30H55N9O14	765.3869	NA	PeJP	NA	NA
+3496	ACE inhibitor	FFVAPFPFEVFGK	765.38695	MH2+	Inhouse_peptide	NA	peptide
+PJ030250	TQKKMM 	C31H59N9O9S2	765.3877	NA	PeJP	NA	NA
+PJ030251	AASKKMM 	C31H59N9O9S2	765.3878	NA	PeJP	NA	NA
+PJ030252	GSQRRY 	C31H51N13O10	765.3882	NA	PeJP	NA	NA
+PJ030253	GLLMFW 	C39H55N7O7S	765.3884	NA	PeJP	NA	NA
+PJ030254	VVKEEY 	C35H55N7O12	765.3909	NA	PeJP	NA	NA
+PJ030255	PLKMMF 	C36H59N7O7S2	765.3918	NA	PeJP	NA	NA
+PJ030256	NKRYW 	C36H51N11O8	765.3922	NA	PeJP	NA	NA
+PJ030257	GGPPPRW 	C36H51N11O8	765.3923	NA	PeJP	NA	NA
+PJ030258	STTTLLM 	C32H59N7O12S	765.3943	NA	PeJP	NA	NA
+PJ030259	LLKMMM 	C33H63N7O7S3	765.3951	NA	PeJP	NA	NA
+PJ030260	GQKMFR 	C33H55N11O8S	765.3956	NA	PeJP	NA	NA
+PJ030261	SSSTTKR 	C29H55N11O13	765.3981	NA	PeJP	NA	NA
+PJ030262	TCKKMR 	C30H59N11O8S2	765.399	NA	PeJP	NA	NA
+PJ030263	SPNHRR 	C30H51N15O9	765.3995	NA	PeJP	NA	NA
+PJ030264	SVLERY 	C34H55N9O11	765.4021	NA	PeJP	NA	NA
+PJ030265	AAAPPPDK 	C34H55N9O11	765.4022	NA	PeJP	NA	NA
+PJ030266	GLHHFR 	C35H51N13O7	765.4035	NA	PeJP	NA	NA
+PJ030267	GTTTKKM 	C31H59N9O11S	765.4055	NA	PeJP	NA	NA
+PJ030268	SVVLYW 	C39H55N7O9	765.4061	NA	PeJP	NA	NA
+PJ030269	ATLLYW 	C39H55N7O9	765.4062	NA	PeJP	NA	NA
+PJ030270	GCKFRR 	C32H55N13O7S	765.4069	NA	PeJP	NA	NA
+PJ030271	VLLQMY 	C36H59N7O9S	765.4095	NA	PeJP	NA	NA
+PJ030272	GDKKRY 	C33H55N11O10	765.4134	NA	PeJP	NA	NA
+MJ093621	Onnamide B; 18,19-Didehydro(E-) 	C37H59N5O12	765.416022	NA	MeJP	NA	NA
+PJ030273	AAKKYW 	C38H55N9O8	765.4174	NA	PeJP	NA	NA
+C12020	Cethromycin	C42H59N3O10	765.42	NA	KEGG	NA	NA
+MJ093622	11-Amino-11-deoxy-3-oxo-5-O-desosaminyl-6-O-[1'-(3'-quinolyl-2'-propenyl)]erythronolide A, 11,12-cyclic carbamate 	C42H59N3O10	765.420045	NA	MeJP	NA	NA
+PJ030274	ALLMRY 	C35H59N9O8S	765.4208	NA	PeJP	NA	NA
+PJ030275	STTTTKK 	C31H59N9O13	765.4232	NA	PeJP	NA	NA
+2986	kinases inhibitor	KKAFRRQEAVDAL	765.42395	MH2+	Inhouse_peptide	NA	peptide
+PJ030276	TKKKMM 	C32H63N9O8S2	765.4241	NA	PeJP	NA	NA
+PJ030277	GSKRRY 	C32H55N13O9	765.4246	NA	PeJP	NA	NA
+PJ030278	TLLKEY 	C36H59N7O11	765.4273	NA	PeJP	NA	NA
+PJ030279	APKKHW 	C37H55N11O7	765.4286	NA	PeJP	NA	NA
+PJ030280	GKKMFR 	C34H59N11O7S	765.432	NA	PeJP	NA	NA
+PJ030281	GLQHRR 	C31H55N15O8	765.4358	NA	PeJP	NA	NA
+PJ030282	GGALHRR 	C31H55N15O8	765.4359	NA	PeJP	NA	NA
+PJ030283	TTLLRY 	C35H59N9O10	765.4385	NA	PeJP	NA	NA
+3012	kinases inhibitor	KKALRRQYAVDAL	765.44245	MH2+	Inhouse_peptide	NA	peptide
+PJ030284	PVLKFY 	C40H59N7O8	765.4425	NA	PeJP	NA	NA
+PJ030285	GGLLLFF 	C40H59N7O8	765.4426	NA	PeJP	NA	NA
+PJ030286	VLLKMY 	C37H63N7O8S	765.4459	NA	PeJP	NA	NA
+PJ030287	AAHRRR 	C30H55N17O7	765.4471	NA	PeJP	NA	NA
+PJ030288	STKKFR 	C34H59N11O9	765.4497	NA	PeJP	NA	NA
+PJ030289	ATKKRY 	C34H59N11O9	765.4498	NA	PeJP	NA	NA
+PJ030290	VVLLHW 	C39H59N9O7	765.4538	NA	PeJP	NA	NA
+PJ030291	CLKKKF 	C36H63N9O7S	765.4572	NA	PeJP	NA	NA
+PJ030292	PPLQRR 	C33H59N13O8	765.461	NA	PeJP	NA	NA
+PJ030293	PPVVLLE 	C37H63N7O10	765.4637	NA	PeJP	NA	NA
+PJ030294	GLKHRR 	C32H59N15O7	765.4722	NA	PeJP	NA	NA
+PJ030295	SLKKKY 	C36H63N9O9	765.4749	NA	PeJP	NA	NA
+PJ030296	VLLKFF 	C41H63N7O7	765.4789	NA	PeJP	NA	NA
+PJ030297	GPPVLKR 	C35H63N11O8	765.4861	NA	PeJP	NA	NA
+PJ030298	PPLKRR 	C34H63N13O7	765.4974	NA	PeJP	NA	NA
+PJ030299	PPTLLLL 	C38H67N7O9	765.5001	NA	PeJP	NA	NA
+PJ030300	APPLLKK 	C37H67N9O8	765.5113	NA	PeJP	NA	NA
+PJ030301	LLKKKH 	C36H67N11O7	765.5225	NA	PeJP	NA	NA
+EUR686	PC(36:5) [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR981	PC 36:5 [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR686	PC(36:5) [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR981	PC 36:5 [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR686	PC(36:5) [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR981	PC 36:5 [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR686	PC(36:5) [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	Inhousejuil11	NA	NA
+EUR981	PC 36:5 [M-H-CH3]-	C44H78NO8P	765.530857	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07951	PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB08494	PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB08944	PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB08945	PE(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB08976	PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09005	PE(18:0/20:5(5Z,8Z,11Z,14Z,17Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09036	PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09037	PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09069	PE(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09070	PE(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09100	PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09101	PE(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09132	PE(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09165	PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09197	PE(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09261	PE(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09292	PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09293	PE(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09324	PE(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09357	PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09388	PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09389	PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09421	PE(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09422	PE(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09453	PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09584	PE(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09616	PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+HMDB09649	PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	C43H76NO8P	765.530884	NA	HMDB2010	NA	NA
+PJ030302	PVVLLLL 	C39H71N7O8	765.5364	NA	PeJP	NA	NA
+HMDB08194	PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB08195	PC(18:3(6Z,9Z,12Z)/P-18:1(9Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB08227	PC(18:3(9Z,12Z,15Z)/P-18:1(11Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB08228	PC(18:3(9Z,12Z,15Z)/P-18:1(9Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB08259	PC(18:4(6Z,9Z,12Z,15Z)/dm18:0)	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB08455	PC(20:4(5Z,8Z,11Z,14Z)/P-16:0)	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB08488	PC(20:4(8Z,11Z,14Z,17Z)/P-16:0)	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11220	PC(P-16:0/20:4(5Z,8Z,11Z,14Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11221	PC(P-16:0/20:4(8Z,11Z,14Z,17Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11247	PC(P-18:0/18:4(6Z,9Z,12Z,15Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11278	PC(P-18:1(11Z)/18:3(6Z,9Z,12Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11279	PC(P-18:1(11Z)/18:3(9Z,12Z,15Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11311	PC(P-18:1(9Z)/18:3(6Z,9Z,12Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB11312	PC(P-18:1(9Z)/18:3(9Z,12Z,15Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+HMDB13415	PC(o-16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C44H80NO7P	765.567261	NA	HMDB2010	NA	NA
+EUR1043	SM(d18:0/16:0) [M-H+acetate]-	C39H82N2O6P	765.612151	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1043	SM(d18:0/16:0) [M-H+acetate]-	C39H82N2O6P	765.612151	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1043	SM(d18:0/16:0) [M-H+acetate]-	C39H82N2O6P	765.612151	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1043	SM(d18:0/16:0) [M-H+acetate]-	C39H82N2O6P	765.612151	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093623	N-(1-Ethyl-3,22-dihydroxydocosyl)-4-hydroxy-2-methyltetracosanamide 	C49H99NO4	765.75741	NA	MeJP	NA	NA
+3000	kinases inhibitor	YKALRRQEAVDAL	765.91645	MH2+	Inhouse_peptide	NA	peptide
+3002	kinases inhibitor	KYALRRQEAVDAL	765.91645	MH2+	Inhouse_peptide	NA	peptide
+3010	kinases inhibitor	KKALRRYEAVDAL	765.93445	MH2+	Inhouse_peptide	NA	peptide
+MJ093624	3,4',5,7-Tetrahydroxyflavylium(1+); 3,5-Bis-O-(malonylglucoside) 	C33H35O21(+)	766.159258	NA	MeJP	NA	NA
+C13129	Sultamicillin tosilate	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13130	Transferred to D01669	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13131	Transferred to D01670	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13132	Transferred to D01671	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13133	Transferred to D01672	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13134	Transferred to D01673	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13135	Transferred to D01674	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13136	Transferred to D01675	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+C13137	Transferred to D01676	C25H30N4O9S2	766.1648	NA	KEGG	NA	NA
+PJ030303	GCCCNMH 	C26H42N10O9S4	766.2019	NA	PeJP	NA	NA
+PJ030304	GGGCCCMH 	C26H42N10O9S4	766.202	NA	PeJP	NA	NA
+PJ030305	GCNDDDE 	C26H38N8O17S	766.2076	NA	PeJP	NA	NA
+PJ030306	CCCEFY 	C32H42N6O10S3	766.2125	NA	PeJP	NA	NA
+PJ030307	SSCCCQH 	C26H42N10O11S3	766.2197	NA	PeJP	NA	NA
+PJ030308	CNDDDW 	C30H38N8O14S	766.2229	NA	PeJP	NA	NA
+PJ030309	SSNDDDD 	C26H38N8O19	766.2253	NA	PeJP	NA	NA
+PJ030310	GGSSDDDD 	C26H38N8O19	766.2254	NA	PeJP	NA	NA
+MJ093625	4,4'-Disolorinic acid 	C42H38O14	766.226155	NA	MeJP	NA	NA
+MJ093626	[p-Terphenyl]-2',3',4,4'',5',6'-hexol; 2',3',5',6'-Tetrakis(4S,5S-epoxy-2Z-hexenoyl) 	C42H38O14	766.226155	NA	MeJP	NA	NA
+PJ030311	SPCCNDE 	C27H42N8O14S2	766.2262	NA	PeJP	NA	NA
+PJ030312	CDMMMH 	C28H46N8O9S4	766.2271	NA	PeJP	NA	NA
+PJ030313	SCCEYY 	C32H42N6O12S2	766.2302	NA	PeJP	NA	NA
+MJ093627	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 6'-O-(4-hydroxy-3,5-dimethoxycinnamoyl)(E-), 6-Ac 	C35H42O19	766.232029	NA	MeJP	NA	NA
+PJ030314	DDEEEM 	C28H42N6O17S	766.2327	NA	PeJP	NA	NA
+PJ030315	GCCNNQE 	C26H42N10O13S2	766.2374	NA	PeJP	NA	NA
+PJ030316	GSSSSCCH 	C26H42N10O13S2	766.2375	NA	PeJP	NA	NA
+PJ030317	ACCCCKH 	C27H46N10O8S4	766.2383	NA	PeJP	NA	NA
+PJ030318	GSPCCDW 	C31H42N8O11S2	766.2415	NA	PeJP	NA	NA
+MJ093628	Lipopurealins; Lipopurealin D 	C34H52Br2N6O4	766.241679	NA	MeJP	NA	NA
+PJ030319	GSNDDEM 	C27H42N8O16S	766.244	NA	PeJP	NA	NA
+PJ030320	APCCNEM 	C28H46N8O11S3	766.2448	NA	PeJP	NA	NA
+PJ030321	GPCNDMM 	C28H46N8O11S3	766.2449	NA	PeJP	NA	NA
+PJ030322	CCMHHH 	C29H42N12O7S3	766.2462	NA	PeJP	NA	NA
+PJ030323	GCMMYY 	C33H46N6O9S3	766.2489	NA	PeJP	NA	NA
+PJ030324	DDDEHH 	C29H38N10O15	766.2518	NA	PeJP	NA	NA
+PJ030325	CCNNQW 	C30H42N10O10S2	766.2527	NA	PeJP	NA	NA
+PJ030326	GSCDDDR 	C26H42N10O15S	766.2552	NA	PeJP	NA	NA
+PJ030327	GPCCCER 	C27H46N10O10S3	766.2561	NA	PeJP	NA	NA
+PJ030328	SNDDMW 	C31H42N8O13S	766.2592	NA	PeJP	NA	NA
+PJ030329	GGGPCDDF 	C31H42N8O13S	766.2593	NA	PeJP	NA	NA
+PJ030330	PCCQMW 	C32H46N8O8S3	766.2601	NA	PeJP	NA	NA
+PJ030331	SSSNDEE 	C27H42N8O18	766.2617	NA	PeJP	NA	NA
+MJ093629	Iryantherin F 	C43H42O13	766.262541	NA	MeJP	NA	NA
+PJ030332	NNEEMM 	C28H46N8O13S2	766.2626	NA	PeJP	NA	NA
+PJ030333	GCDFYY 	C36H42N6O11S	766.2633	NA	PeJP	NA	NA
+PJ030334	SMMMMH 	C29H50N8O8S4	766.2635	NA	PeJP	NA	NA
+PJ030335	GPCCNHH 	C29H42N12O9S2	766.264	NA	PeJP	NA	NA
+PJ030336	PDDEEY 	C32H42N6O16	766.2658	NA	PeJP	NA	NA
+PJ030337	STCMYY 	C33H46N6O11S2	766.2666	NA	PeJP	NA	NA
+PJ030338	TEEEEM 	C29H46N6O16S	766.2691	NA	PeJP	NA	NA
+PJ030339	PEEMMM 	C30H50N6O11S3	766.27	NA	PeJP	NA	NA
+PJ030340	GSSCNNW 	C30H42N10O12S	766.2705	NA	PeJP	NA	NA
+PJ030341	PCCCRW 	C31H46N10O7S3	766.2713	NA	PeJP	NA	NA
+PJ030342	GSSSSNND 	C26H42N10O17	766.273	NA	PeJP	NA	NA
+PJ030343	CNDEMR 	C27H46N10O12S2	766.2738	NA	PeJP	NA	NA
+PJ030344	GGGGGSNMM 	C27H46N10O12S2	766.2739	NA	PeJP	NA	NA
+PJ030345	GSCEWW 	C35H42N8O10S	766.2745	NA	PeJP	NA	NA
+PJ030346	GSSSDEW 	C31H42N8O15	766.277	NA	PeJP	NA	NA
+MJ093630	Rifamycin verde 	C39H46N2O12S	766.277145	NA	MeJP	NA	NA
+PJ030347	GNEMMW 	C32H46N8O10S2	766.2779	NA	PeJP	NA	NA
+PJ030348	GSSQEEM 	C28H46N8O15S	766.2804	NA	PeJP	NA	NA
+PJ030349	GSDYYY 	C36H42N6O13	766.281	NA	PeJP	NA	NA
+PJ030350	GSPNMMM 	C29H50N8O10S3	766.2812	NA	PeJP	NA	NA
+PJ030351	NNDMHH 	C29H42N12O11S	766.2817	NA	PeJP	NA	NA
+PJ030352	GCMFFY 	C37H46N6O8S2	766.2819	NA	PeJP	NA	NA
+MJ093631	Antibiotic BA 12100Z3 	C40H46O15	766.28367	NA	MeJP	NA	NA
+PJ030353	PDEEMF 	C33H46N6O13S	766.2844	NA	PeJP	NA	NA
+PJ030354	CCDDRR 	C26H46N12O11S2	766.2851	NA	PeJP	NA	NA
+PJ030355	VEEEMM 	C30H50N6O13S2	766.2878	NA	PeJP	NA	NA
+PJ030356	NNNNEY 	C30H42N10O14	766.2882	NA	PeJP	NA	NA
+PJ030357	GGGGGGGGEY 	C30H42N10O14	766.2883	NA	PeJP	NA	NA
+PJ030358	GCDMRW 	C31H46N10O9S2	766.2891	NA	PeJP	NA	NA
+PJ030359	SCWWW 	C39H42N8O7S	766.2897	NA	PeJP	NA	NA
+PJ030360	GSSDDMR 	C27H46N10O14S	766.2916	NA	PeJP	NA	NA
+PJ030361	SSSDWW 	C35H42N8O12	766.2922	NA	PeJP	NA	NA
+PJ030362	GNDEFW 	C35H42N8O12	766.2923	NA	PeJP	NA	NA
+PJ030363	GPTCCMR 	C28H50N10O9S3	766.2925	NA	PeJP	NA	NA
+PJ030364	NMMWW 	C36H46N8O7S2	766.2931	NA	PeJP	NA	NA
+PJ030365	SSQEMW 	C32H46N8O12S	766.2956	NA	PeJP	NA	NA
+PJ030366	PCCKMW 	C33H50N8O7S3	766.2965	NA	PeJP	NA	NA
+PJ030367	GCQHHW 	C33H42N12O8S	766.297	NA	PeJP	NA	NA
+PJ030368	SSSTQEE 	C28H46N8O17	766.2981	NA	PeJP	NA	NA
+PJ030369	NDKEMM 	C29H50N8O12S2	766.299	NA	PeJP	NA	NA
+PJ030370	GSSNEHH 	C29H42N12O13	766.2995	NA	PeJP	NA	NA
+PJ030371	QMYYY 	C37H46N6O10S	766.2996	NA	PeJP	NA	NA
+PJ030372	PTEEEY 	C33H46N6O15	766.3021	NA	PeJP	NA	NA
+PJ030373	VDEEEF 	C33H46N6O15	766.3022	NA	PeJP	NA	NA
+PJ030374	SSSCNNR 	C26H46N12O13S	766.3028	NA	PeJP	NA	NA
+PJ030375	PPEMMY 	C34H50N6O10S2	766.303	NA	PeJP	NA	NA
+PJ030376	GNNNYW 	C34H42N10O11	766.3035	NA	PeJP	NA	NA
+PJ030377	SSCERW 	C31H46N10O11S	766.3068	NA	PeJP	NA	NA
+PJ030378	PCNDRY 	C31H46N10O11S	766.3069	NA	PeJP	NA	NA
+PJ030379	NDFWW 	C39H42N8O9	766.3075	NA	PeJP	NA	NA
+PJ030380	PCHHHH 	C32H42N14O7S	766.3082	NA	PeJP	NA	NA
+PJ030381	SSSSDER 	C27H46N10O16	766.3093	NA	PeJP	NA	NA
+PJ030382	GGGSSSTTN 	C27H46N10O16	766.3094	NA	PeJP	NA	NA
+PJ030383	SNEMMR 	C28H50N10O11S2	766.3102	NA	PeJP	NA	NA
+PJ030384	GSTMWW 	C36H46N8O9S	766.3109	NA	PeJP	NA	NA
+PJ030385	GSSTTEW 	C32H46N8O14	766.3134	NA	PeJP	NA	NA
+PJ030386	ATQMMW 	C33H50N8O9S2	766.3142	NA	PeJP	NA	NA
+PJ030387	GDKMMW 	C33H50N8O9S2	766.3143	NA	PeJP	NA	NA
+PJ030388	SSNHHW 	C33H42N12O10	766.3147	NA	PeJP	NA	NA
+PJ030389	GCFFFF 	C41H46N6O7S	766.3149	NA	PeJP	NA	NA
+PJ030390	GTTTQEM 	C29H50N8O14S	766.3167	NA	PeJP	NA	NA
+PJ030391	GSSKEEM 	C29H50N8O14S	766.3168	NA	PeJP	NA	NA
+PJ030392	GTTYYY 	C37H46N6O12	766.3174	NA	PeJP	NA	NA
+PJ030393	VQQMMM 	C30H54N8O9S3	766.3176	NA	PeJP	NA	NA
+PJ030394	CNNNFR 	C30H46N12O10S	766.3181	NA	PeJP	NA	NA
+MJ093632	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-Cinnamoyl, hexa-Ac 	C41H50O14	766.320056	NA	MeJP	NA	NA
+MJ093633	Zaragozic acid D3 	C41H50O14	766.320056	NA	MeJP	NA	NA
+PJ030395	PVEEMY 	C34H50N6O12S	766.3208	NA	PeJP	NA	NA
+PJ030396	SCDMRR 	C27H50N12O10S2	766.3215	NA	PeJP	NA	NA
+PJ030397	PPCQHW 	C35H46N10O8S	766.3221	NA	PeJP	NA	NA
+PJ030398	GNEERY 	C31H46N10O13	766.3246	NA	PeJP	NA	NA
+PJ030399	GSMMRW 	C32H50N10O8S2	766.3255	NA	PeJP	NA	NA
+PJ030400	AEHHHH 	C32H42N14O9	766.326	NA	PeJP	NA	NA
+PJ030401	MHFFW 	C40H46N8O6S	766.3261	NA	PeJP	NA	NA
+PJ030402	GSSTEMR 	C28H50N10O13S	766.328	NA	PeJP	NA	NA
+PJ030403	SSTTWW 	C36H46N8O11	766.3286	NA	PeJP	NA	NA
+PJ030404	GGGGPEFF 	C36H46N8O11	766.3287	NA	PeJP	NA	NA
+PJ030405	AQMMMR 	C29H54N10O8S3	766.3288	NA	PeJP	NA	NA
+PJ030406	GAAMMMR 	C29H54N10O8S3	766.3289	NA	PeJP	NA	NA
+PJ030407	SCQHHR 	C29H46N14O9S	766.3293	NA	PeJP	NA	NA
+PJ030408	SSKEMW 	C33H50N8O11S	766.332	NA	PeJP	NA	NA
+PJ030409	QFFYY 	C41H46N6O9	766.3326	NA	PeJP	NA	NA
+PJ030410	GAFFYY 	C41H46N6O9	766.3327	NA	PeJP	NA	NA
+PJ030411	GCKHHW 	C34H46N12O7S	766.3334	NA	PeJP	NA	NA
+PJ030412	SSSTKEE 	C29H50N8O16	766.3345	NA	PeJP	NA	NA
+PJ030413	TQKEMM 	C30H54N8O11S2	766.3354	NA	PeJP	NA	NA
+PJ030414	SNNNRY 	C30H46N12O12	766.3358	NA	PeJP	NA	NA
+PJ030415	GGGGSNRY 	C30H46N12O12	766.3359	NA	PeJP	NA	NA
+PJ030416	KMYYY 	C38H50N6O9S	766.336	NA	PeJP	NA	NA
+PJ030417	VVEEEY 	C34H50N6O14	766.3385	NA	PeJP	NA	NA
+PJ030418	PLEMMF 	C35H54N6O9S2	766.3394	NA	PeJP	NA	NA
+PJ030419	NERYW 	C35H46N10O10	766.3399	NA	PeJP	NA	NA
+PJ030420	ACMMRR 	C28H54N12O7S3	766.3401	NA	PeJP	NA	NA
+MJ093634	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-Ac 	C38H54O16	766.341185	NA	MeJP	NA	NA
+MJ093635	3,6,8,14-Tetrahydroxybufa-4,20,22-trienolide, 6-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C38H54O16	766.341185	NA	MeJP	NA	NA
+MJ093636	Terracinolide A; 6-Debenzoyl, 3-de-Ac, 6-(2-methylpropanoyl) 	C38H54O16	766.341185	NA	MeJP	NA	NA
+8238	Antioxidative peptide	IEWEGIESGSVEQA	766.342	MH2+	Inhouse_peptide	NA	peptide
+PJ030421	LLEMMM 	C32H58N6O9S3	766.3428	NA	PeJP	NA	NA
+PJ030422	SSTMRW 	C32H50N10O10S	766.3432	NA	PeJP	NA	NA
+PJ030423	GGAEMFR 	C32H50N10O10S	766.3433	NA	PeJP	NA	NA
+PJ030424	VNYWW 	C40H46N8O8	766.3439	NA	PeJP	NA	NA
+PJ030425	SSSTTER 	C28H50N10O15	766.3457	NA	PeJP	NA	NA
+PJ030426	SDKMMR 	C29H54N10O10S2	766.3466	NA	PeJP	NA	NA
+PJ030427	GSSSHHR 	C29H46N14O11	766.3471	NA	PeJP	NA	NA
+PJ030428	APCKYW 	C37H50N8O8S	766.3473	NA	PeJP	NA	NA
+PJ030429	SSSSTLW 	C33H50N8O13	766.3497	NA	PeJP	NA	NA
+PJ030430	GTTTTTW 	C33H50N8O13	766.3498	NA	PeJP	NA	NA
+PJ030431	ATKMMW 	C34H54N8O8S2	766.3506	NA	PeJP	NA	NA
+PJ030432	GPDHRW 	C34H46N12O9	766.3511	NA	PeJP	NA	NA
+PJ030433	GTTTKEM 	C30H54N8O13S	766.3531	NA	PeJP	NA	NA
+PJ030434	PPVEYY 	C38H50N6O11	766.3538	NA	PeJP	NA	NA
+PJ030435	VQKMMM 	C31H58N8O8S3	766.354	NA	PeJP	NA	NA
+PJ030436	GCEFRR 	C31H50N12O9S	766.3545	NA	PeJP	NA	NA
+PJ030437	GRYWW 	C39H46N10O7	766.3551	NA	PeJP	NA	NA
+PJ030438	VLEEMF 	C35H54N6O11S	766.3572	NA	PeJP	NA	NA
+PJ030439	SSMMRR 	C28H54N12O9S2	766.3578	NA	PeJP	NA	NA
+PJ030440	QMFRW 	C36H50N10O7S	766.3585	NA	PeJP	NA	NA
+PJ030441	GDKERY 	C32H50N10O12	766.361	NA	PeJP	NA	NA
+PJ030442	VLMMHH 	C33H54N10O7S2	766.3619	NA	PeJP	NA	NA
+PJ030443	GNHHFR 	C33H46N14O8	766.3623	NA	PeJP	NA	NA
+PJ030444	GGGHHFR 	C33H46N14O8	766.3624	NA	PeJP	NA	NA
+PJ030445	SSSSLMR 	C29H54N10O12S	766.3644	NA	PeJP	NA	NA
+PJ030446	AAKEYW 	C37H50N8O10	766.365	NA	PeJP	NA	NA
+PJ030447	AKMMMR 	C30H58N10O7S3	766.3652	NA	PeJP	NA	NA
+PJ030448	SCKHHR 	C30H50N14O8S	766.3657	NA	PeJP	NA	NA
+PJ030449	TTTKMW 	C34H54N8O10S	766.3684	NA	PeJP	NA	NA
+PJ030450	KFFYY 	C42H50N6O8	766.369	NA	PeJP	NA	NA
+PJ030451	CFRRW 	C35H50N12O6S	766.3697	NA	PeJP	NA	NA
+PJ030452	STTTTKE 	C30H54N8O15	766.3709	NA	PeJP	NA	NA
+PJ030453	TKKEMM 	C31H58N8O10S2	766.3718	NA	PeJP	NA	NA
+PJ030454	GSERRY 	C31H50N12O11	766.3722	NA	PeJP	NA	NA
+PJ030455	GGGGAALQH 	C31H50N12O11	766.3723	NA	PeJP	NA	NA
+C12560	Saquinavir mesylate	C38H50N6O5	766.3724	NA	KEGG	NA	NA
+C12561	Transferred to D01161	C38H50N6O5	766.3724	NA	KEGG	NA	NA
+C12562	Transferred to D01162	C38H50N6O5	766.3724	NA	KEGG	NA	NA
+C12563	Transferred to D01163	C38H50N6O5	766.3724	NA	KEGG	NA	NA
+PJ030456	PPLMFY 	C39H54N6O8S	766.3724	NA	PeJP	NA	NA
+PJ030457	TLLEEY 	C35H54N6O13	766.3749	NA	PeJP	NA	NA
+PJ030458	PLLMMY 	C36H58N6O8S2	766.3758	NA	PeJP	NA	NA
+PJ030459	ASTFRW 	C36H50N10O9	766.3762	NA	PeJP	NA	NA
+PJ030460	DKRYW 	C36H50N10O9	766.3763	NA	PeJP	NA	NA
+MJ093637	Cosalane 	C45H60Cl2O6	766.376695	NA	MeJP	NA	NA
+MJ093638	Bryostatin 11 	C39H58O15	766.377571	NA	MeJP	NA	NA
+7557	ACE inhibitor from spinach	YPLDLF	766.3779	antioxidative	Inhouse_peptide	NA	peptide
+PJ030461	GLQMRY 	C33H54N10O9S	766.3796	NA	PeJP	NA	NA
+PJ030462	TKFWW 	C41H50N8O7	766.3803	NA	PeJP	NA	NA
+PJ030463	STTTTTR 	C29H54N10O14	766.3821	NA	PeJP	NA	NA
+PJ030464	TTKMMR 	C30H58N10O9S2	766.383	NA	PeJP	NA	NA
+PJ030465	SPDHRR 	C30H50N14O10	766.3835	NA	PeJP	NA	NA
+PJ030466	GVKMFW 	C38H54N8O7S	766.3837	NA	PeJP	NA	NA
+PJ030467	AKKEEY 	C34H54N8O12	766.3861	NA	PeJP	NA	NA
+PJ030468	VDDKKY 	C34H54N8O12	766.3862	NA	PeJP	NA	NA
+PJ030469	SRRYW 	C35H50N12O8	766.3875	NA	PeJP	NA	NA
+PJ030470	SSTTLKM 	C31H58N8O12S	766.3895	NA	PeJP	NA	NA
+PJ030471	PVLEFY 	C39H54N6O10	766.3902	NA	PeJP	NA	NA
+PJ030472	VKKMMM 	C32H62N8O7S3	766.3904	NA	PeJP	NA	NA
+PJ030473	AAMRRY 	C32H54N12O8S	766.3909	NA	PeJP	NA	NA
+PJ030474	VLLEMY 	C36H58N6O10S	766.3935	NA	PeJP	NA	NA
+PJ030475	GNQHRR 	C29H50N16O9	766.3947	NA	PeJP	NA	NA
+PJ030476	KMFRW 	C37H54N10O6S	766.3949	NA	PeJP	NA	NA
+PJ030477	ATKERY 	C33H54N10O11	766.3974	NA	PeJP	NA	NA
+PJ030478	SSSCKKK 	C30H58N10O11S	766.4007	NA	PeJP	NA	NA
+PJ030479	GTLKYW 	C38H54N8O9	766.4014	NA	PeJP	NA	NA
+PJ030480	APMHRR 	C31H54N14O7S	766.4021	NA	PeJP	NA	NA
+MJ093639	Antibiotic SB 22484; Antibiotic SB 22484-2 	C42H58N2O11	766.40406	NA	MeJP	NA	NA
+PJ030481	PTKKMY 	C35H58N8O9S	766.4048	NA	PeJP	NA	NA
+PJ030482	PPLFFF 	C43H54N6O7	766.4054	NA	PeJP	NA	NA
+PJ030483	ATTRRY 	C32H54N12O10	766.4086	NA	PeJP	NA	NA
+PJ030484	PLLMFF 	C40H58N6O7S	766.4088	NA	PeJP	NA	NA
+PJ030485	LLLMMF 	C37H62N6O7S2	766.4122	NA	PeJP	NA	NA
+PJ030486	SPLKHW 	C37H54N10O8	766.4126	NA	PeJP	NA	NA
+PJ030487	GAALLHW 	C37H54N10O8	766.4127	NA	PeJP	NA	NA
+MJ093640	1,3-Dihydroxy-5,24-withadienolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C40H62O14	766.413956	NA	MeJP	NA	NA
+MJ093641	3-Hydroxyspirostan-6-one, 3-O-[2-O-Acetyl-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C40H62O14	766.413956	NA	MeJP	NA	NA
+PJ030488	GLKMRY 	C34H58N10O8S	766.416	NA	PeJP	NA	NA
+PJ030489	GLEHRR 	C31H54N14O9	766.4199	NA	PeJP	NA	NA
+PJ030490	SLKKEY 	C35H58N8O11	766.4225	NA	PeJP	NA	NA
+PJ030491	GAAPPLLE 	C35H58N8O11	766.4226	NA	PeJP	NA	NA
+PJ030492	GVLHRW 	C36H54N12O7	766.4239	NA	PeJP	NA	NA
+PJ030493	PVLLYY 	C40H58N6O9	766.4266	NA	PeJP	NA	NA
+PJ030494	PVKMHR 	C33H58N12O7S	766.4273	NA	PeJP	NA	NA
+PJ030495	GNKHRR 	C30H54N16O8	766.4311	NA	PeJP	NA	NA
+PJ030496	STLKRY 	C34H58N10O10	766.4338	NA	PeJP	NA	NA
+PJ030497	LHRRW 	C35H54N14O6	766.4351	NA	PeJP	NA	NA
+MJ093642	Axinastatin 1; 5-L-Leucine analogue 	C39H58N8O8	766.43776	NA	MeJP	NA	NA
+PJ030498	AAPPLLW 	C39H58N8O8	766.4378	NA	PeJP	NA	NA
+PJ030499	VVKKMY 	C36H62N8O8S	766.4412	NA	PeJP	NA	NA
+PJ030500	PPLERR 	C33H58N12O9	766.445	NA	PeJP	NA	NA
+PJ030501	PPVLRW 	C38H58N10O7	766.449	NA	PeJP	NA	NA
+C05372	Tautomycin	C41H66O13	766.4503	NA	KEGG	NA	NA
+C05373	29-MOS	C41H66O13	766.4503	NA	KEGG	NA	NA
+C17547	Akeboside Std	C41H66O13	766.4503	NA	KEGG	NA	NA
+MJ093643	12-Oleanene-3,16,21,22,23,28-hexol, 21-O-(2S-Methylbutanoyl), 3-O-?-D-glucuronopyranoside 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093644	12-Oleanene-3,16,21,22,23,28-hexol, 28-O-(2-Methylbutanoyl), 3-O-?-D-glucuronopyranoside 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093645	12-Oleanene-3,22,24-triol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093646	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22-Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-?-D-glucopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093647	27(13?18)-Abeo-3-hydroxy-26-nor-13-taraxeren-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093648	3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093649	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-L-arabinopyranosyl ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093650	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?5)-xylofuranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093651	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093652	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093653	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, ?-D-glucopyranosyl ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093654	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093655	3,27-Dihydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093656	3,29-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-?-D-glucopyranosyl ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093657	Hederagenin 28-glycosyl esters; 28-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranosyl] ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093658	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093659	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093660	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093661	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093662	Hederagenin 3-glycosides; Diglycosides, 3-O-[Glucosyl-(1??)-arabinoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093663	Hederagenin bisdesmosides; Diglycosides, 3-O-?-D-Glucopyranoside, 28-O-?-L-arabinopyranosyl ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093664	Hederagenin bisdesmosides; Diglycosides, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093665	Holost-9(11)-ene-3,12,17-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093666	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093667	Pseudojujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?2)-?-D-glucopyranoside] 	C41H66O13	766.450342	NA	MeJP	NA	NA
+MJ093668	Tautomycin 	C41H66O13	766.450342	NA	MeJP	NA	NA
+PJ030502	SVLHRR 	C32H58N14O8	766.4562	NA	PeJP	NA	NA
+PJ030503	GGPPKRR 	C32H58N14O8	766.4563	NA	PeJP	NA	NA
+PJ030504	APPLLKE 	C36H62N8O10	766.4589	NA	PeJP	NA	NA
+PJ030505	VLLLFY 	C41H62N6O8	766.4629	NA	PeJP	NA	NA
+MJ093669	1-Galactosyl-2,3-di(3,6,9,12,15-octadecapentaenoyl)glycerol 	C45H66O10	766.465598	NA	MeJP	NA	NA
+PJ030506	APPTLLR 	C35H62N10O9	766.4702	NA	PeJP	NA	NA
+PJ030507	VVKKFF 	C40H62N8O7	766.4742	NA	PeJP	NA	NA
+HMDB10666	PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	C42H71O10P	766.478455	NA	HMDB2010	NA	NA
+HMDB10667	PG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	C42H71O10P	766.478455	NA	HMDB2010	NA	NA
+HMDB10681	PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	C42H71O10P	766.478455	NA	HMDB2010	NA	NA
+HMDB10682	PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	C42H71O10P	766.478455	NA	HMDB2010	NA	NA
+PJ030508	TLLKHR 	C34H62N12O8	766.4814	NA	PeJP	NA	NA
+MJ093670	Antibiotic A 110; Antibiotic A 110-3 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093671	Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 16-O-?-D-glucopyranoside, 3-O-?-D-xylopyranoside 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093672	Cycloart-23-ene-3,25-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093673	Dammara-20(22),24-diene-3,12-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093674	Dammara-20(22),24-diene-3,6,12-triol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093675	Dammara-20,24-diene-3,6,12-triol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093676	Eupha-7,24-diene-3,11,23-triol, 11-O-?-D-Glucopyranoside, 23-O-?-L-rhamnopyranoside 	C42H70O12	766.486727	NA	MeJP	NA	NA
+MJ093677	Salinomycin; 5-Hydroxy 	C42H70O12	766.486727	NA	MeJP	NA	NA
+PJ030509	AKKKHR 	C33H62N14O7	766.4926	NA	PeJP	NA	NA
+MJ093678	Curcacycline A 	C37H66N8O9	766.495275	NA	MeJP	NA	NA
+PJ030510	SPPLLLK 	C37H66N8O9	766.4953	NA	PeJP	NA	NA
+MJ093679	Chimeramycin A; O-De(2,6-dideoxy-3-C-methyl-ribo-hexosyl) 	C41H70N2O11	766.497961	NA	MeJP	NA	NA
+PJ030511	GPVLLLR 	C36H66N10O8	766.5065	NA	PeJP	NA	NA
+PJ030512	PLLLRR 	C35H66N12O7	766.5178	NA	PeJP	NA	NA
+PJ030513	APLLLLK 	C38H70N8O8	766.5317	NA	PeJP	NA	NA
+MJ093680	Belamcandone D 	C48H78O7	766.574754	NA	MeJP	NA	NA
+MJ093681	Undecaprenol 	C55H90O	766.699167	NA	MeJP	NA	NA
+MJ093682	Polyprenol; Betulaprenol 11 	C55H90O	766.699167	NA	MeJP	NA	NA
+MetaCyc04117	undecaprenol []	C55H90O1	766.699168	15575-14-1	metacyc	NA	NA
+C01968	Undecaprenol	C55H90O	766.6992	NA	KEGG	NA	NA
+C17558	di-trans,poly-cis-Undecaprenol	C55H90O	766.6992	NA	KEGG	NA	NA
+C17559	3-Polyprenyl-4-hydroxy-5-methoxybenzoate	C13H16O4	766.6992	NA	KEGG	NA	NA
+C17560	2-Polyprenyl-6-methoxy-1,4-benzoquinone	C12H14O3	766.6992	NA	KEGG	NA	NA
+C17561	2-Polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone	C13H16O3	766.6992	NA	KEGG	NA	NA
+C17562	2-Polyprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone	C13H16O4	766.6992	NA	KEGG	NA	NA
+MetaCyc04118	UDP-N-acetyl-D-galactosamine 4,6-bissulfate []	C17H27N3O23P2S2	766.995199	NA	metacyc	NA	NA
+C04589	UDP-N-acetyl-D-galactosamine 4,6-bissulfate	C17H27N3O23P2S2	766.9952	NA	KEGG	NA	NA
+PJ030514	CCCCCCM 	C23H41N7O8S7	767.1062	NA	PeJP	NA	NA
+EUR192	coenzyme A	C21H36N7O16P3S	767.1152	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR192	coenzyme A	C21H36N7O16P3S	767.1152	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR192	coenzyme A	C21H36N7O16P3S	767.1152	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR192	coenzyme A	C21H36N7O16P3S	767.1152	Wishlist	Inhousejuil11	NA	NA
+C00010	CoA	C21H36N7O16P3S	767.1152	NA	KEGG	NA	NA
+MJ093683	Coenzyme A 	C21H36N7O16P3S	767.115208	NA	MeJP	NA	NA
+MJ093684	CoA 	C21H36N7O16P3S	767.115208	NA	MeJP	NA	NA
+MetaCyc04119	coenzyme A [CoA;co-A-SH;co-enzyme-A;co-A;HS-CoA;]	C21H36N7O16P3S1	767.115208	85-61-0	metacyc	NA	NA
+MetaCyc04120	coenzyme-A-group [CoA;]	C21H36N7O16P3S1	767.115208	NA	metacyc	NA	NA
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	HMDB	NA	NA
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	Inhouse_PFEM	NA	NA
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR192	Coenzyme A	C21H36N7O16P3S	767.115219	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01423	Coenzyme A	C21H36N7O16P3S	767.11523	http://www.hmdb.ca/metabolites/HMDB01423	HMDB	NA	NA
+HMDB01423	Coenzyme A	C21H36N7O16P3S	767.11523	HMDB01423	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01423	Coenzyme A	C21H36N7O16P3S	767.115234	NA	HMDB2010	NA	NA
+PJ030515	ACCCCCY 	C27H41N7O9S5	767.157	NA	PeJP	NA	NA
+PJ030516	PCCCCCH 	C26H41N9O8S5	767.1682	NA	PeJP	NA	NA
+PJ030517	SSCCCCY 	C27H41N7O11S4	767.1747	NA	PeJP	NA	NA
+PJ030518	GCCCDMH 	C26H41N9O10S4	767.186	NA	PeJP	NA	NA
+PJ030519	GCDDDDE 	C26H37N7O18S	767.1916	NA	PeJP	NA	NA
+PJ030520	SSCCCEH 	C26H41N9O12S3	767.2037	NA	PeJP	NA	NA
+PJ030521	CDDDDW 	C30H37N7O15S	767.2069	NA	PeJP	NA	NA
+PJ030522	CCCNYY 	C31H41N7O10S3	767.2077	NA	PeJP	NA	NA
+PJ030523	SSDDDDD 	C26H37N7O20	767.2094	NA	PeJP	NA	NA
+PJ030524	SPCCDDE 	C27H41N7O15S2	767.2102	NA	PeJP	NA	NA
+PJ030525	PPCCCDM 	C28H45N7O10S4	767.2111	NA	PeJP	NA	NA
+PJ030526	GCNNDDM 	C26H41N9O14S2	767.2215	NA	PeJP	NA	NA
+PJ030527	GSCCMMH 	C27H45N9O9S4	767.2223	NA	PeJP	NA	NA
+PJ030528	GSDDDEM 	C27H41N7O17S	767.228	NA	PeJP	NA	NA
+PJ030529	GPCDDMM 	C28H45N7O12S3	767.2289	NA	PeJP	NA	NA
+PJ030530	SCCNNNN 	C25H41N11O13S2	767.2327	NA	PeJP	NA	NA
+PJ030531	CCNNEW 	C30H41N9O11S2	767.2367	NA	PeJP	NA	NA
+PJ030532	SSCNNDE 	C26H41N9O16S	767.2392	NA	PeJP	NA	NA
+PJ030533	SSTCCMH 	C27H45N9O11S3	767.2401	NA	PeJP	NA	NA
+PJ030534	SCDEEW 	C31H41N7O14S	767.2432	NA	PeJP	NA	NA
+PJ030535	SDDDMW 	C31H41N7O14S	767.2433	NA	PeJP	NA	NA
+PJ030536	PCCEMW 	C32H45N7O9S3	767.2441	NA	PeJP	NA	NA
+PJ030537	SSSDDEE 	C27H41N7O19	767.2457	NA	PeJP	NA	NA
+PJ030538	NDEEMM 	C28H45N7O14S2	767.2466	NA	PeJP	NA	NA
+PJ030539	SPPCCMM 	C29H49N7O9S4	767.2475	NA	PeJP	NA	NA
+PJ030540	GPCCDHH 	C29H41N11O10S2	767.248	NA	PeJP	NA	NA
+PJ030541	GCCNWW 	C34H41N9O8S2	767.252	NA	PeJP	NA	NA
+PJ030542	GSSCNDW 	C30H41N9O13S	767.2545	NA	PeJP	NA	NA
+PJ030543	CCQMHF 	C31H45N9O8S3	767.2554	NA	PeJP	NA	NA
+PJ030544	GSSSSNDD 	C26H41N9O18	767.257	NA	PeJP	NA	NA
+PJ030545	ASCCQQE 	C27H45N9O13S2	767.2578	NA	PeJP	NA	NA
+PJ030546	CDDEMR 	C27H45N9O13S2	767.2579	NA	PeJP	NA	NA
+PJ030547	GSPDDDY 	C31H41N7O16	767.261	NA	PeJP	NA	NA
+PJ030548	GDEMMW 	C32H45N7O11S2	767.2619	NA	PeJP	NA	NA
+PJ030549	GSSEEEM 	C28H45N7O16S	767.2644	NA	PeJP	NA	NA
+PJ030550	GSPDMMM 	C29H49N7O11S3	767.2652	NA	PeJP	NA	NA
+PJ030551	PVTCCDM 	C29H49N7O11S3	767.2653	NA	PeJP	NA	NA
+PJ030552	NDDMHH 	C29H41N11O12S	767.2657	NA	PeJP	NA	NA
+PJ030553	CCCHFR 	C30H45N11O7S3	767.2666	NA	PeJP	NA	NA
+PJ030554	GSCCNER 	C26H45N11O12S2	767.2691	NA	PeJP	NA	NA
+PJ030555	NNNDEY 	C30H41N9O15	767.2722	NA	PeJP	NA	NA
+PJ030556	GGGGNDEY 	C30H41N9O15	767.2723	NA	PeJP	NA	NA
+PJ030557	SCNQMW 	C31H45N9O10S2	767.2731	NA	PeJP	NA	NA
+PJ030558	SSSNNEM 	C27H45N9O15S	767.2756	NA	PeJP	NA	NA
+PJ030559	GDDEFW 	C35H41N7O13	767.2763	NA	PeJP	NA	NA
+PJ030560	NNQMMM 	C28H49N9O10S3	767.2765	NA	PeJP	NA	NA
+PJ030561	GSCNNHH 	C28H41N13O11S	767.2769	NA	PeJP	NA	NA
+PJ030562	GGGSCNHH 	C28H41N13O11S	767.277	NA	PeJP	NA	NA
+PJ030563	DMMWW 	C36H45N7O8S2	767.2771	NA	PeJP	NA	NA
+PJ030564	SSEEMW 	C32H45N7O13S	767.2796	NA	PeJP	NA	NA
+PJ030565	PTCMMW 	C33H49N7O8S3	767.2805	NA	PeJP	NA	NA
+PJ030566	GCEHHW 	C33H41N11O9S	767.281	NA	PeJP	NA	NA
+PJ030567	SSSTEEE 	C28H45N7O18	767.2821	NA	PeJP	NA	NA
+PJ030568	TQEEMM 	C29H49N7O13S2	767.283	NA	PeJP	NA	NA
+PJ030569	GSSDEHH 	C29H41N11O14	767.2835	NA	PeJP	NA	NA
+PJ030570	EMYYY 	C37H45N5O11S	767.2836	NA	PeJP	NA	NA
+PJ030571	PQMMMM 	C30H53N7O8S4	767.2839	NA	PeJP	NA	NA
+PJ030572	SCCNRW 	C30H45N11O9S2	767.2843	NA	PeJP	NA	NA
+PJ030573	GGSCCRW 	C30H45N11O9S2	767.2844	NA	PeJP	NA	NA
+PJ030574	SSSCNDR 	C26H45N11O14S	767.2868	NA	PeJP	NA	NA
+PJ030575	GGSSSCDR 	C26H45N11O14S	767.2869	NA	PeJP	NA	NA
+PJ030576	GNNDYW 	C34H41N9O12	767.2875	NA	PeJP	NA	NA
+PJ030577	CNNMMR 	C27H49N11O9S3	767.2877	NA	PeJP	NA	NA
+PJ030578	GSSSNMW 	C31H45N9O12S	767.2909	NA	PeJP	NA	NA
+PJ030579	DDFWW 	C39H41N7O10	767.2915	NA	PeJP	NA	NA
+PJ030580	CCKMHF 	C32H49N9O7S3	767.2917	NA	PeJP	NA	NA
+PJ030581	GSSSSSQE 	C27H45N9O17	767.2934	NA	PeJP	NA	NA
+PJ030582	SDEMMR 	C28H49N9O12S2	767.2942	NA	PeJP	NA	NA
+PJ030583	GGGGGTTMM 	C28H49N9O12S2	767.2943	NA	PeJP	NA	NA
+PJ030584	GPDMYW 	C36H45N7O10S	767.2949	NA	PeJP	NA	NA
+PJ030585	PCMMMR 	C29H53N9O7S4	767.2951	NA	PeJP	NA	NA
+PJ030586	CHHWW 	C37H41N11O6S	767.2962	NA	PeJP	NA	NA
+PJ030587	AQEEEY 	C32H45N7O15	767.2974	NA	PeJP	NA	NA
+PJ030588	ATEMMW 	C33H49N7O10S2	767.2983	NA	PeJP	NA	NA
+PJ030589	SSDHHW 	C33H41N11O11	767.2987	NA	PeJP	NA	NA
+PJ030590	CCCQRR 	C26H49N13O8S3	767.299	NA	PeJP	NA	NA
+PJ030591	GTTTEEM 	C29H49N7O15S	767.3008	NA	PeJP	NA	NA
+PJ030592	VQEMMM 	C30H53N7O10S3	767.3016	NA	PeJP	NA	NA
+PJ030593	CNNDFR 	C30H45N11O11S	767.3021	NA	PeJP	NA	NA
+PJ030594	GSSCQMR 	C27H49N11O11S2	767.3055	NA	PeJP	NA	NA
+PJ030595	GNNMFW 	C35H45N9O9S	767.3061	NA	PeJP	NA	NA
+PJ030596	SSSSSQW 	C31H45N9O14	767.3086	NA	PeJP	NA	NA
+PJ030597	SCNKMW 	C32H49N9O9S2	767.3095	NA	PeJP	NA	NA
+PJ030598	SSSNDKM 	C28H49N9O14S	767.312	NA	PeJP	NA	NA
+PJ030599	SSPEYW 	C36H45N7O12	767.3126	NA	PeJP	NA	NA
+PJ030600	AAEEYW 	C36H45N7O12	767.3127	NA	PeJP	NA	NA
+PJ030601	AEMMMR 	C29H53N9O9S3	767.3129	NA	PeJP	NA	NA
+PJ030602	SCEHHR 	C29H45N13O10S	767.3133	NA	PeJP	NA	NA
+PJ030603	GPMMFW 	C37H49N7O7S2	767.3135	NA	PeJP	NA	NA
+MJ093685	Streptovaricin; Streptovaricin C, 17-Ketone 	C40H49NO14	767.315305	NA	MeJP	NA	NA
+PJ030604	TTTEMW 	C33H49N7O12S	767.316	NA	PeJP	NA	NA
+PJ030605	PYYYY 	C41H45N5O10	767.3167	NA	PeJP	NA	NA
+PJ030606	GLMMMW 	C34H53N7O7S3	767.3169	NA	PeJP	NA	NA
+PJ030607	GTMHHW 	C34H45N11O8S	767.3174	NA	PeJP	NA	NA
+PJ030608	STTTTEE 	C29H49N7O17	767.3185	NA	PeJP	NA	NA
+PJ030609	TKEEMM 	C30H53N7O12S2	767.3194	NA	PeJP	NA	NA
+PJ030610	SNNDRY 	C30H45N11O13	767.3199	NA	PeJP	NA	NA
+PJ030611	PKMMMM 	C31H57N7O7S4	767.3203	NA	PeJP	NA	NA
+PJ030612	VNMMHH 	C31H49N11O8S2	767.3207	NA	PeJP	NA	NA
+PJ030613	SNHHHH 	C31H41N15O9	767.3212	NA	PeJP	NA	NA
+PJ030614	SSSSNMR 	C27H49N11O13S	767.3232	NA	PeJP	NA	NA
+PJ030615	DERYW 	C35H45N9O11	767.3239	NA	PeJP	NA	NA
+PJ030616	CCQKMR 	C28H53N11O8S3	767.3241	NA	PeJP	NA	NA
+PJ030617	GSSTCKW 	C32H49N9O11S	767.3272	NA	PeJP	NA	NA
+PJ030618	PTCERY 	C32H49N9O11S	767.3273	NA	PeJP	NA	NA
+PJ030619	VDYWW 	C40H45N7O9	767.3279	NA	PeJP	NA	NA
+PJ030620	GSSSSSKE 	C28H49N9O16	767.3297	NA	PeJP	NA	NA
+PJ030621	GSSSSTDK 	C28H49N9O16	767.3298	NA	PeJP	NA	NA
+PJ030622	TTEMMR 	C29H53N9O11S2	767.3306	NA	PeJP	NA	NA
+PJ030623	NNQQQH 	C29H45N13O12	767.3311	NA	PeJP	NA	NA
+MJ093686	Pentagastrin 	C37H49N7O9S	767.331246	NA	MeJP	NA	NA
+PJ030624	APTMYW 	C37H49N7O9S	767.3313	NA	PeJP	NA	NA
+PJ030625	GMMHHR 	C30H49N13O7S2	767.332	NA	PeJP	NA	NA
+PJ030626	AKEEEY 	C33H49N7O14	767.3338	NA	PeJP	NA	NA
+PJ030627	STLMMW 	C34H53N7O9S2	767.3346	NA	PeJP	NA	NA
+PJ030628	GPVVCMY 	C34H53N7O9S2	767.3347	NA	PeJP	NA	NA
+PJ030629	STTHHW 	C34H45N11O10	767.3351	NA	PeJP	NA	NA
+PJ030630	CCCKRR 	C27H53N13O7S3	767.3353	NA	PeJP	NA	NA
+PJ030631	SSTTLEM 	C30H53N7O14S	767.3371	NA	PeJP	NA	NA
+PJ030632	VKEMMM 	C31H57N7O9S3	767.338	NA	PeJP	NA	NA
+PJ030633	GNQMRY 	C31H49N11O10S	767.3385	NA	PeJP	NA	NA
+PJ030634	GNHFFF 	C39H45N9O8	767.3391	NA	PeJP	NA	NA
+PJ030635	GGGHFFF 	C39H45N9O8	767.3392	NA	PeJP	NA	NA
+PJ030636	GSSSSSTR 	C27H49N11O15	767.341	NA	PeJP	NA	NA
+PJ030637	GSSCKMR 	C28H53N11O10S2	767.3419	NA	PeJP	NA	NA
+PJ030638	NNNNHR 	C28H45N15O11	767.3423	NA	PeJP	NA	NA
+PJ030639	GGGGGGNHR 	C28H45N15O11	767.3424	NA	PeJP	NA	NA
+PJ030640	EMFRW 	C36H49N9O8S	767.3425	NA	PeJP	NA	NA
+PJ030641	SSSSSKW 	C32H49N9O13	767.345	NA	PeJP	NA	NA
+3189	cystatin S (108-121)	EDRMSLVDSRCQEA	767.3456	MH2+	Inhouse_peptide	NA	peptide
+PJ030642	TCCKKW 	C33H53N9O8S2	767.3459	NA	PeJP	NA	NA
+PJ030643	GDHHFR 	C33H45N13O9	767.3464	NA	PeJP	NA	NA
+PJ030644	VMFWW 	C41H49N7O6S	767.3465	NA	PeJP	NA	NA
+MJ093687	Ceratospongamide 	C41H49N7O6S	767.346503	NA	MeJP	NA	NA
+PJ030645	SSSTQKM 	C29H53N9O13S	767.3484	NA	PeJP	NA	NA
+PJ030646	GTLEYW 	C37H49N7O11	767.349	NA	PeJP	NA	NA
+PJ030647	SLMMMR 	C30H57N9O8S3	767.3492	NA	PeJP	NA	NA
+PJ030648	VTMMMR 	C30H57N9O8S3	767.3493	NA	PeJP	NA	NA
+PJ030649	GCNRRY 	C30H49N13O9S	767.3497	NA	PeJP	NA	NA
+PJ030650	AAHHFW 	C38H45N11O7	767.3504	NA	PeJP	NA	NA
+MJ093688	Austrotaxine 	C41H53NO13	767.35169	NA	MeJP	NA	NA
+MJ093689	Bishaconitine 	C41H53NO13	767.35169	NA	MeJP	NA	NA
+PJ030651	PTKEMY 	C34H53N7O11S	767.3524	NA	PeJP	NA	NA
+PJ030652	LFYYY 	C42H49N5O9	767.353	NA	PeJP	NA	NA
+PJ030653	PCKHHF 	C35H49N11O7S	767.3538	NA	PeJP	NA	NA
+PJ030654	SSSLLMM 	C31H57N7O11S2	767.3558	NA	PeJP	NA	NA
+PJ030655	SSQQRY 	C31H49N11O12	767.3562	NA	PeJP	NA	NA
+PJ030656	GGGGTTRY 	C31H49N11O12	767.3563	NA	PeJP	NA	NA
+PJ030657	PPMMHR 	C32H53N11O7S2	767.3571	NA	PeJP	NA	NA
+PJ030658	SSSTCKR 	C28H53N11O12S	767.3596	NA	PeJP	NA	NA
+PJ030659	GSQKYW 	C36H49N9O10	767.3603	NA	PeJP	NA	NA
+PJ030660	CCKKMR 	C29H57N11O7S3	767.3605	NA	PeJP	NA	NA
+PJ030661	GLEMRY 	C33H53N9O10S	767.3636	NA	PeJP	NA	NA
+PJ030662	GGGGVKMY 	C33H53N9O10S	767.3637	NA	PeJP	NA	NA
+PJ030663	TLYWW 	C41H49N7O8	767.3643	NA	PeJP	NA	NA
+PJ030664	GSSSTTTK 	C29H53N9O15	767.3661	NA	PeJP	NA	NA
+PJ030665	GSSKKMM 	C30H57N9O10S2	767.367	NA	PeJP	NA	NA
+PJ030666	AQQEHR 	C30H49N13O11	767.3675	NA	PeJP	NA	NA
+PJ030667	GVLMYW 	C38H53N7O8S	767.3677	NA	PeJP	NA	NA
+PJ030668	SSPTTLY 	C34H53N7O13	767.3701	NA	PeJP	NA	NA
+PJ030669	SLKEEY 	C34H53N7O13	767.3702	NA	PeJP	NA	NA
+PJ030670	PVKMMY 	C35H57N7O8S2	767.371	NA	PeJP	NA	NA
+PJ030671	SPNKHW 	C35H49N11O9	767.3715	NA	PeJP	NA	NA
+PJ030672	TTTTTLM 	C31H57N7O13S	767.3735	NA	PeJP	NA	NA
+PJ030673	GNKMRY 	C32H53N11O9S	767.3749	NA	PeJP	NA	NA
+PJ030674	PFRYW 	C40H49N9O7	767.3755	NA	PeJP	NA	NA
+PJ030675	GNEHRR 	C29H49N15O10	767.3787	NA	PeJP	NA	NA
+PJ030676	LMRYW 	C37H53N9O7S	767.3789	NA	PeJP	NA	NA
+PJ030677	STLERY 	C33H53N9O12	767.3814	NA	PeJP	NA	NA
+PJ030678	ALMMFR 	C34H57N9O7S2	767.3823	NA	PeJP	NA	NA
+PJ030679	AAQHRW 	C34H49N13O8	767.3827	NA	PeJP	NA	NA
+PJ030680	GGGVHRW 	C34H49N13O8	767.3828	NA	PeJP	NA	NA
+PJ030681	SSSTKKM 	C30H57N9O12S	767.3848	NA	PeJP	NA	NA
+PJ030682	SSLLYW 	C38H53N7O10	767.3854	NA	PeJP	NA	NA
+PJ030683	CKKKMM 	C31H61N9O7S3	767.3856	NA	PeJP	NA	NA
+C03796	Oleandomycin 2'-O-phosphate	C35H62NO15P	767.3857	NA	KEGG	NA	NA
+MetaCyc04121	oleandomycin 2'-O-phosphate []	C35H62N1O15P1	767.385707	NA	metacyc	NA	NA
+PJ030684	PCQKHR 	C31H53N13O8S	767.3861	NA	PeJP	NA	NA
+PJ030685	VVKEMY 	C35H57N7O10S	767.3888	NA	PeJP	NA	NA
+PJ030686	SSQKRY 	C32H53N11O11	767.3926	NA	PeJP	NA	NA
+PJ030687	GGGPPVER 	C32H53N11O11	767.3927	NA	PeJP	NA	NA
+PJ030688	NHRRW 	C33H49N15O7	767.394	NA	PeJP	NA	NA
+PJ030689	AQQKFF 	C37H53N9O9	767.3966	NA	PeJP	NA	NA
+PJ030690	GSKKYW 	C37H53N9O9	767.3967	NA	PeJP	NA	NA
+PJ030691	SVLMRY 	C34H57N9O9S	767.4	NA	PeJP	NA	NA
+PJ030692	GVLFFW 	C42H53N7O7	767.4007	NA	PeJP	NA	NA
+PJ030693	PPNERR 	C31H53N13O10	767.4039	NA	PeJP	NA	NA
+MJ093690	Electrin 1 	C39H57N7O7S	767.404017	NA	MeJP	NA	NA
+PJ030694	PVKMFF 	C39H57N7O7S	767.4041	NA	PeJP	NA	NA
+PJ030695	GTTTLLY 	C35H57N7O12	767.4065	NA	PeJP	NA	NA
+PJ030696	APPLLEE 	C35H57N7O12	767.4066	NA	PeJP	NA	NA
+PJ030697	VLKMMF 	C36H61N7O7S2	767.4074	NA	PeJP	NA	NA
+PJ030698	PPVNRW 	C36H53N11O8	767.4079	NA	PeJP	NA	NA
+C15821	Rimocidine	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15822	CE-108	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15823	Progeldanamycin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15824	Cephabacin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15825	BT1583	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15826	Jamaicamide	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15827	Obscurin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15828	Syringopeptin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15829	Glycopeptidelipid	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15830	Gramicidin A	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15831	A54145	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15834	A28086B	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15835	Axenomycin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15838	TMC-151	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15839	Antibiotic K41	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15840	Neocarzilin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15841	Luzopeptin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15842	Lipomycin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15844	Elaiophylin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15845	Arenomycin B	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15846	Isomigrastatin	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15847	X-206	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15848	Angiotensin III	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15849	Angiotensin IV	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15850	Angiotensin (1-7)	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15851	Angiotensin (1-9)	C39H61NO14	767.4092	NA	KEGG	NA	NA
+C15852	Angiotensin (1-5)	C39H61NO14	767.4092	NA	KEGG	NA	NA
+MJ093691	Protoverine; O6-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-threo-2,3-dihydroxy-2-methylbutanoyl 	C39H61NO14	767.409205	NA	MeJP	NA	NA
+MJ093692	Rimocidin 	C39H61NO14	767.409205	NA	MeJP	NA	NA
+MJ093693	Motuporin 	C40H57N5O10	767.410543	NA	MeJP	NA	NA
+PJ030699	ACKKRY 	C33H57N11O8S	767.4113	NA	PeJP	NA	NA
+PJ030700	LFFRW 	C41H53N9O6	767.4119	NA	PeJP	NA	NA
+PJ030701	GDKHRR 	C30H53N15O9	767.4151	NA	PeJP	NA	NA
+PJ030702	SDKKKY 	C34H57N9O11	767.4178	NA	PeJP	NA	NA
+PJ030703	GPPRRW 	C35H53N13O7	767.4191	NA	PeJP	NA	NA
+PJ030704	PVVKYY 	C39H57N7O9	767.4218	NA	PeJP	NA	NA
+PJ030705	PCKKHR 	C32H57N13O7S	767.4225	NA	PeJP	NA	NA
+PJ030706	TLLKMY 	C36H61N7O9S	767.4252	NA	PeJP	NA	NA
+PJ030707	GSHRRR 	C29H53N17O8	767.4263	NA	PeJP	NA	NA
+PJ030708	SSKKRY 	C33H57N11O10	767.429	NA	PeJP	NA	NA
+PJ030709	SLLLHW 	C38H57N9O8	767.433	NA	PeJP	NA	NA
+PJ030710	GAAKKFF 	C38H57N9O8	767.4331	NA	PeJP	NA	NA
+PJ030711	AKKKMY 	C35H61N9O8S	767.4364	NA	PeJP	NA	NA
+PJ030712	NNKKKH 	C32H57N13O9	767.4402	NA	PeJP	NA	NA
+PJ030713	PPDKRR 	C32H57N13O9	767.4403	NA	PeJP	NA	NA
+PJ030714	SPPLLLE 	C36H61N7O11	767.4429	NA	PeJP	NA	NA
+PJ030715	GLKKHW 	C37H57N11O7	767.4443	NA	PeJP	NA	NA
+PJ030716	PKKKMH 	C34H61N11O7S	767.4476	NA	PeJP	NA	NA
+PJ030717	VLLMHR 	C34H61N11O7S	767.4477	NA	PeJP	NA	NA
+PJ030718	SPPRRR 	C31H57N15O8	767.4515	NA	PeJP	NA	NA
+PJ030719	TTKKKY 	C35H61N9O10	767.4542	NA	PeJP	NA	NA
+MJ093694	Stylopeptide 1 	C40H61N7O8	767.458161	NA	MeJP	NA	NA
+PJ030720	VVLKFY 	C40H61N7O8	767.4582	NA	PeJP	NA	NA
+PJ030721	PPVVLLM 	C37H65N7O8S	767.4616	NA	PeJP	NA	NA
+PJ030722	GPPTLKR 	C34H61N11O9	767.4654	NA	PeJP	NA	NA
+PJ030723	PPLKKW 	C39H61N9O7	767.4694	NA	PeJP	NA	NA
+PJ030724	PVLQRR 	C33H61N13O8	767.4766	NA	PeJP	NA	NA
+PJ030725	GGPLLRR 	C33H61N13O8	767.4767	NA	PeJP	NA	NA
+PJ030726	APLLLLE 	C37H65N7O10	767.4793	NA	PeJP	NA	NA
+PJ030727	APLRRR 	C32H61N15O7	767.4879	NA	PeJP	NA	NA
+PJ030728	SPPVLKK 	C36H65N9O9	767.4906	NA	PeJP	NA	NA
+PJ030729	AAPLLKR 	C35H65N11O8	767.5018	NA	PeJP	NA	NA
+PJ030730	PVLKRR 	C34H65N13O7	767.513	NA	PeJP	NA	NA
+PJ030731	SPLLLLL 	C38H69N7O9	767.5157	NA	PeJP	NA	NA
+PJ030732	GPLLLKK 	C37H69N9O8	767.5269	NA	PeJP	NA	NA
+EUR691	PC(36:4) [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR976	PC 36:4 [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR691	PC(36:4) [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR976	PC 36:4 [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR691	PC(36:4) [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR976	PC 36:4 [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR691	PC(36:4) [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	Inhousejuil11	NA	NA
+EUR976	PC 36:4 [M-H-CH3]-	C44H80NO8P	767.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07949	PC(15:0/20:4(5Z,8Z,11Z,14Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB07950	PC(15:0/20:4(8Z,11Z,14Z,17Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB08428	PC(20:4(5Z,8Z,11Z,14Z)/15:0)	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB08461	PC(20:4(8Z,11Z,14Z,17Z)/15:0)	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB08943	PE(16:0/22:4(7Z,10Z,13Z,16Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB08969	PE(16:1(9Z)/20:3(8Z,11Z,14Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09003	PE(18:0/20:4(5Z,8Z,11Z,14Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09004	PE(18:0/20:4(8Z,11Z,14Z,17Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09034	PE(18:1(11Z)/20:3(5Z,8Z,11Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09035	PE(18:1(11Z)/20:3(8Z,11Z,14Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09067	PE(18:1(9Z)/20:3(5Z,8Z,11Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09068	PE(18:1(9Z)/20:3(8Z,11Z,14Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09099	PE(18:2(9Z,12Z)/20:2(11Z,14Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09131	PE(18:3(6Z,9Z,12Z)/20:1(11Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09164	PE(18:3(9Z,12Z,15Z)/20:1(11Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09196	PE(18:4(6Z,9Z,12Z,15Z)/20:0)	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09228	PE(20:0/18:4(6Z,9Z,12Z,15Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09259	PE(20:1(11Z)/18:3(6Z,9Z,12Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09260	PE(20:1(11Z)/18:3(9Z,12Z,15Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09291	PE(20:2(11Z,14Z)/18:2(9Z,12Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09322	PE(20:3(5Z,8Z,11Z)/18:1(11Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09323	PE(20:3(5Z,8Z,11Z)/18:1(9Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09355	PE(20:3(8Z,11Z,14Z)/18:1(11Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09356	PE(20:3(8Z,11Z,14Z)/18:1(9Z))	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09387	PE(20:4(5Z,8Z,11Z,14Z)/18:0)	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09420	PE(20:4(8Z,11Z,14Z,17Z)/18:0)	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB09583	PE(22:4(7Z,10Z,13Z,16Z)/16:0)	C43H78NO8P	767.546509	NA	HMDB2010	NA	NA
+HMDB05333	GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]	C43H78NO8P	767.54651	http://www.hmdb.ca/metabolites/HMDB05333	HMDB	NA	NA
+HMDB05333	GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]	C43H78NO8P	767.54651	HMDB05333	PFEM_hmdb_metabocards_official	NA	NA
+PJ030733	ALLLLLL 	C39H73N7O8	767.5521	NA	PeJP	NA	NA
+MJ093695	Batzelladine A 	C42H73N9O4	767.578551	NA	MeJP	NA	NA
+HMDB08161	PC(18:2(9Z,12Z)/P-18:1(11Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB08162	PC(18:2(9Z,12Z)/P-18:1(9Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB08193	PC(18:3(6Z,9Z,12Z)/P-18:0)	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB08226	PC(18:3(9Z,12Z,15Z)/P-18:0)	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB08390	PC(20:3(5Z,8Z,11Z)/P-16:0)	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB08422	PC(20:3(8Z,11Z,14Z)/P-16:0)	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB11218	PC(P-16:0/20:3(5Z,8Z,11Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB11219	PC(P-16:0/20:3(8Z,11Z,14Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB11245	PC(P-18:0/18:3(6Z,9Z,12Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB11246	PC(P-18:0/18:3(9Z,12Z,15Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB11277	PC(P-18:1(11Z)/18:2(9Z,12Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB11310	PC(P-18:1(9Z)/18:2(9Z,12Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB13407	PC(o-16:0/20:4(8Z,11Z,14Z,17Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+HMDB13435	PC(o-18:2(9Z,12Z)/18:2(9Z,12Z))	C44H82NO7P	767.582886	NA	HMDB2010	NA	NA
+MJ093696	2-Amino-1,3,4-octadecanetriol, N-(2-Hydroxytriacontanoyl) 	C48H97NO5	767.736675	NA	MeJP	NA	NA
+2954	mastoparan from venom of Vespula levissii	INLKALAALAKKILG	767.99895	MH2+	Inhouse_peptide	NA	peptide
+5416	mastoparan	INLKALAALAKKILG	767.99895	MH2+	Inhouse_peptide	NA	peptide
+C11369	Fluo-3	C36H30Cl2N2O13	768.1125	NA	KEGG	NA	NA
+FL5FACGS0097	Quercetin 3-(2'',6''-digalloylgalactoside);3-[[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C35H28O20	768.11739	200860-88-4	knapsack	NA	NA
+FL5FAGGS0033	Myricetin 3-(2'',3''-digalloylrhamnoside);3-[[6-Deoxy-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C35H28O20	768.11739	272128-15-1	knapsack	NA	NA
+MJ093697	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(?2)-[3,4,5-trihydroxybenzoyl-(?3)]-?-L-rhamnopyranoside] 	C35H28O20	768.117393	NA	MeJP	NA	NA
+MJ093698	Hyperin; 2'',6''-Bis(3,4,5-trihydroxybenzoyl) 	C35H28O20	768.117393	NA	MeJP	NA	NA
+MJ093699	Isoquercitrin; 2'',3''-Bis-O-(3,4,5-trihydroxybenzoyl) 	C35H28O20	768.117393	NA	MeJP	NA	NA
+MJ093700	Aminochlorthenoxycycline 	C32H37ClN4O14S	768.17155	NA	MeJP	NA	NA
+PJ030734	SCCCCNH 	C25H40N10O10S4	768.1812	NA	PeJP	NA	NA
+MJ093701	Betanidin; 15-Epimer, 5-O-[?-D-apiofuranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C32H36N2O20	768.186141	NA	MeJP	NA	NA
+MJ093702	Betanidin; 5-O-[?-D-Apiofuranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C32H36N2O20	768.186141	NA	MeJP	NA	NA
+PJ030735	PCCCNDD 	C26H40N8O13S3	768.1877	NA	PeJP	NA	NA
+MJ093703	Antibiotic Sch 64877 	C34H44N2O10S4	768.187878	NA	MeJP	NA	NA
+PJ030736	CCCDYY 	C31H40N6O11S3	768.1917	NA	PeJP	NA	NA
+PJ030737	GCNDDDM 	C26H40N8O15S2	768.2055	NA	PeJP	NA	NA
+PJ030738	GSPPCCCC 	C27H44N8O10S4	768.2064	NA	PeJP	NA	NA
+PJ030739	CCCMFY 	C32H44N6O8S4	768.2104	NA	PeJP	NA	NA
+MJ093704	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[3R-hydroxy-3-methylglutaroyl-(?6)]-?-D-glucopyranoside] 	C34H40O20	768.211293	NA	MeJP	NA	NA
+PJ030740	SCCNNND 	C25H40N10O14S2	768.2167	NA	PeJP	NA	NA
+PJ030741	CCNDEW 	C30H40N8O12S2	768.2207	NA	PeJP	NA	NA
+PJ030742	SSCNDDE 	C26H40N8O17S	768.2232	NA	PeJP	NA	NA
+PJ030743	GGSSCDDE 	C26H40N8O17S	768.2233	NA	PeJP	NA	NA
+PJ030744	SPCCNDM 	C27H44N8O12S3	768.2241	NA	PeJP	NA	NA
+PJ030745	SCCMYY 	C32H44N6O10S3	768.2281	NA	PeJP	NA	NA
+PJ030746	DDEEMM 	C28H44N6O15S2	768.2306	NA	PeJP	NA	NA
+PJ030747	GCCNNQM 	C26H44N10O11S3	768.2353	NA	PeJP	NA	NA
+PJ030748	GGGCCNQM 	C26H44N10O11S3	768.2354	NA	PeJP	NA	NA
+PJ030749	GCCDWW 	C34H40N8O9S2	768.236	NA	PeJP	NA	NA
+PJ030750	GSSCDDW 	C30H40N8O14S	768.2385	NA	PeJP	NA	NA
+PJ030751	GPTCCCW 	C31H44N8O9S3	768.2394	NA	PeJP	NA	NA
+PJ030752	GSSSSDDD 	C26H40N8O19	768.241	NA	PeJP	NA	NA
+MJ093705	Chokorin 	C42H40O14	768.241805	NA	MeJP	NA	NA
+PJ030753	GSNDDMM 	C27H44N8O14S2	768.2419	NA	PeJP	NA	NA
+PJ030754	GPCCQMM 	C28H48N8O9S4	768.2427	NA	PeJP	NA	NA
+PJ030755	GGAPCCMM 	C28H48N8O9S4	768.2428	NA	PeJP	NA	NA
+PJ030756	CCCFFF 	C36H44N6O7S3	768.2434	NA	PeJP	NA	NA
+PJ030757	DDDEEF 	C31H40N6O17	768.245	NA	PeJP	NA	NA
+PJ030758	GCCCNNR 	C25H44N12O10S3	768.2466	NA	PeJP	NA	NA
+MJ093706	Catalpol; 10-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 6-O-(3,4-di-O-acetyl-?-L-rhamnopyranoside) 	C35H44O19	768.247679	NA	MeJP	NA	NA
+MJ093707	Catalpol; 6-O-[(3-Hydroxy-4-methoxy-E-cinnamoyl)-(?4)-2,3-di-O-acetyl-?-L-rhamnopyranoside] 	C35H44O19	768.247679	NA	MeJP	NA	NA
+MJ093708	Sucrose; 3'-O-(3,4,5-Trimethoxycinnamoyl), 6-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C35H44O19	768.247679	NA	MeJP	NA	NA
+PJ030759	DDDMHH 	C29H40N10O13S	768.2497	NA	PeJP	NA	NA
+PJ030760	GSCCDER 	C26H44N10O13S2	768.2531	NA	PeJP	NA	NA
+PJ030761	GPCCCMR 	C27H48N10O8S4	768.254	NA	PeJP	NA	NA
+PJ030762	NNDDEY 	C30H40N8O16	768.2562	NA	PeJP	NA	NA
+PJ030763	GGNDDEY 	C30H40N8O16	768.2563	NA	PeJP	NA	NA
+PJ030764	SCNEMW 	C31H44N8O11S2	768.2571	NA	PeJP	NA	NA
+PJ030765	SSSNDEM 	C27H44N8O16S	768.2596	NA	PeJP	NA	NA
+PJ030766	NNEMMM 	C28H48N8O11S3	768.2605	NA	PeJP	NA	NA
+PJ030767	GSCNDHH 	C28H40N12O12S	768.261	NA	PeJP	NA	NA
+PJ030768	ACCFYY 	C36H44N6O9S2	768.2611	NA	PeJP	NA	NA
+MJ093709	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), 2-methylbutanoyl, di-Ac(1) 	C39H44O16	768.262935	NA	MeJP	NA	NA
+MJ093710	1,2,4,6,9,14-Hexahydroxydihydro-?-agarofuran, Tris(3-furancarbonyl), 2-methylbutanoyl, di-Ac(2) 	C39H44O16	768.262935	NA	MeJP	NA	NA
+PJ030769	PDDEMY 	C32H44N6O14S	768.2637	NA	PeJP	NA	NA
+PJ030770	TEEEMM 	C29H48N6O14S2	768.267	NA	PeJP	NA	NA
+PJ030771	GPNDDDH 	C29H40N10O15	768.2675	NA	PeJP	NA	NA
+PJ030772	PEMMMM 	C30H52N6O9S4	768.2679	NA	PeJP	NA	NA
+PJ030773	SCCDRW 	C30H44N10O10S2	768.2684	NA	PeJP	NA	NA
+PJ030774	SSSCDDR 	C26H44N10O15S	768.2709	NA	PeJP	NA	NA
+PJ030775	GNDDYW 	C34H40N8O13	768.2715	NA	PeJP	NA	NA
+PJ030776	CNDMMR 	C27H48N10O10S3	768.2717	NA	PeJP	NA	NA
+PJ030777	GGGGGCCKM 	C27H48N10O10S3	768.2718	NA	PeJP	NA	NA
+PJ030778	GSCMWW 	C35H44N8O8S2	768.2724	NA	PeJP	NA	NA
+PJ030779	GSSSDMW 	C31H44N8O13S	768.2749	NA	PeJP	NA	NA
+PJ030780	GNMMMW 	C32H48N8O8S3	768.2758	NA	PeJP	NA	NA
+PJ030781	GSSSSSEE 	C27H44N8O18	768.2774	NA	PeJP	NA	NA
+PJ030782	SSCCLQE 	C28H48N8O13S2	768.2782	NA	PeJP	NA	NA
+PJ030783	GSSQEMM 	C28H48N8O13S2	768.2783	NA	PeJP	NA	NA
+PJ030784	GTCYYY 	C36H44N6O11S	768.2789	NA	PeJP	NA	NA
+PJ030785	GPCCKMM 	C29H52N8O8S4	768.2791	NA	PeJP	NA	NA
+PJ030786	CNQMHH 	C29H44N12O9S2	768.2796	NA	PeJP	NA	NA
+PJ030787	AEEEEY 	C32H44N6O16	768.2814	NA	PeJP	NA	NA
+PJ030788	PDEMMF 	C33H48N6O11S2	768.2823	NA	PeJP	NA	NA
+PJ030789	CCCERR 	C26H48N12O9S3	768.283	NA	PeJP	NA	NA
+MJ093711	2-(4-Hydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?3)-[3,4-dimethoxycinnamoyl-(?4)]-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C36H48O18	768.284064	NA	MeJP	NA	NA
+MJ093712	Bruceosin; 15-Deacyl, 15-(4-Acetoxy-3,4-dimethyl-2E-pentenoyl), 2-O-?-D-glucopyranoside 	C36H48O18	768.284064	NA	MeJP	NA	NA
+MJ093713	Yadanzioside N; 6'-Acetoxy 	C36H48O18	768.284064	NA	MeJP	NA	NA
+PJ030790	LDEMMM 	C30H52N6O11S3	768.2856	NA	PeJP	NA	NA
+PJ030791	VEEMMM 	C30H52N6O11S3	768.2857	NA	PeJP	NA	NA
+PJ030792	NNNNMY 	C30H44N10O12S	768.2861	NA	PeJP	NA	NA
+PJ030793	ACCMRW 	C31H48N10O7S3	768.287	NA	PeJP	NA	NA
+PJ030794	SSSSSSNN 	C26H44N10O17	768.2886	NA	PeJP	NA	NA
+PJ030795	GSSCEMR 	C27H48N10O12S2	768.2895	NA	PeJP	NA	NA
+PJ030796	SSTCWW 	C35H44N8O10S	768.2901	NA	PeJP	NA	NA
+PJ030797	GGGDMFW 	C35H44N8O10S	768.2902	NA	PeJP	NA	NA
+PJ030798	CCNHHR 	C28H44N14O8S2	768.2908	NA	PeJP	NA	NA
+PJ030799	SSSSSEW 	C31H44N8O15	768.2926	NA	PeJP	NA	NA
+PJ030800	GGGGTEEY 	C31H44N8O15	768.2927	NA	PeJP	NA	NA
+MJ093714	Rifamycin Q 	C39H48N2O12S	768.292795	NA	MeJP	NA	NA
+PJ030801	SSQMMW 	C32H48N8O10S2	768.2935	NA	PeJP	NA	NA
+PJ030802	SSSTQEM 	C28H48N8O15S	768.296	NA	PeJP	NA	NA
+PJ030803	SSSYYY 	C36H44N6O13	768.2966	NA	PeJP	NA	NA
+PJ030804	PPDDYY 	C36H44N6O13	768.2967	NA	PeJP	NA	NA
+PJ030805	NDKMMM 	C29H52N8O10S3	768.2969	NA	PeJP	NA	NA
+PJ030806	ASSCQHH 	C29H44N12O11S	768.2973	NA	PeJP	NA	NA
+PJ030807	GSSNMHH 	C29H44N12O11S	768.2974	NA	PeJP	NA	NA
+PJ030808	PTEEMY 	C33H48N6O13S	768.3	NA	PeJP	NA	NA
+PJ030809	PPMMMY 	C34H52N6O8S3	768.3009	NA	PeJP	NA	NA
+PJ030810	PCEHHF 	C34H44N10O9S	768.3014	NA	PeJP	NA	NA
+PJ030811	SNDDRY 	C30H44N10O14	768.3039	NA	PeJP	NA	NA
+PJ030812	SSCMRW 	C31H48N10O9S2	768.3047	NA	PeJP	NA	NA
+PJ030813	GAPCCRY 	C31H48N10O9S2	768.3048	NA	PeJP	NA	NA
+PJ030814	SDHHHH 	C31H40N14O10	768.3052	NA	PeJP	NA	NA
+PJ030815	CQFWW 	C39H44N8O7S	768.3054	NA	PeJP	NA	NA
+PJ030816	SSSSDMR 	C27H48N10O14S	768.3072	NA	PeJP	NA	NA
+PJ030817	GGGSSSSCK 	C27H48N10O14S	768.3073	NA	PeJP	NA	NA
+PJ030818	GSQEYW 	C35H44N8O12	768.3079	NA	PeJP	NA	NA
+PJ030819	SNMMMR 	C28H52N10O9S3	768.3081	NA	PeJP	NA	NA
+PJ030820	GMMHFF 	C36H48N8O7S2	768.3088	NA	PeJP	NA	NA
+PJ030821	GSSTTMW 	C32H48N8O12S	768.3113	NA	PeJP	NA	NA
+PJ030822	NFYYY 	C40H44N6O10	768.3119	NA	PeJP	NA	NA
+PJ030823	ACKMMW 	C33H52N8O7S3	768.3121	NA	PeJP	NA	NA
+PJ030824	GSSSTTTE 	C28H48N8O17	768.3138	NA	PeJP	NA	NA
+PJ030825	GSSKEMM 	C29H52N8O12S2	768.3146	NA	PeJP	NA	NA
+PJ030826	SSSSQHH 	C29H44N12O13	768.3151	NA	PeJP	NA	NA
+PJ030827	PPDMFY 	C37H48N6O10S	768.3153	NA	PeJP	NA	NA
+PJ030828	GPPCCHR 	C30H48N12O8S2	768.316	NA	PeJP	NA	NA
+PJ030829	SLEEEY 	C33H48N6O15	768.3178	NA	PeJP	NA	NA
+PJ030830	PVEMMY 	C34H52N6O10S2	768.3187	NA	PeJP	NA	NA
+PJ030831	SPNEHW 	C34H44N10O11	768.3191	NA	PeJP	NA	NA
+PJ030832	GGGGGGNFF 	C34H44N10O11	768.3192	NA	PeJP	NA	NA
+PJ030833	TCCMRR 	C27H52N12O8S3	768.3194	NA	PeJP	NA	NA
+MJ093715	Nannochelin C; 1,1'-Di-Me ester 	C38H48N4O13	768.321787	NA	MeJP	NA	NA
+PJ030834	GNEMRY 	C31H48N10O11S	768.3225	NA	PeJP	NA	NA
+PJ030835	SQYWW 	C39H44N8O9	768.3231	NA	PeJP	NA	NA
+PJ030836	GGTYWW 	C39H44N8O9	768.3232	NA	PeJP	NA	NA
+PJ030837	AMHHHH 	C32H44N14O7S	768.3239	NA	PeJP	NA	NA
+PJ030838	GSSTMMR 	C28H52N10O11S2	768.3259	NA	PeJP	NA	NA
+PJ030839	NNNDHR 	C28H44N14O12	768.3263	NA	PeJP	NA	NA
+PJ030840	GGNNDHR 	C28H44N14O12	768.3264	NA	PeJP	NA	NA
+PJ030841	AAQMYW 	C36H48N8O9S	768.3265	NA	PeJP	NA	NA
+PJ030842	SSSTTTW 	C32H48N8O14	768.329	NA	PeJP	NA	NA
+PJ030843	SSKMMW 	C33H52N8O9S2	768.3299	NA	PeJP	NA	NA
+PJ030844	GNQQHW 	C33H44N12O10	768.3304	NA	PeJP	NA	NA
+PJ030845	SSSTKEM 	C29H52N8O14S	768.3324	NA	PeJP	NA	NA
+PJ030846	PPTEYY 	C37H48N6O12	768.333	NA	PeJP	NA	NA
+PJ030847	PVDEFY 	C37H48N6O12	768.3331	NA	PeJP	NA	NA
+PJ030848	TQKMMM 	C30H56N8O9S3	768.3333	NA	PeJP	NA	NA
+PJ030849	GCDRRY 	C30H48N12O10S	768.3337	NA	PeJP	NA	NA
+PJ030850	GGPDMHR 	C30H48N12O10S	768.3338	NA	PeJP	NA	NA
+PJ030851	PPMMFF 	C38H52N6O7S2	768.3339	NA	PeJP	NA	NA
+PJ030852	GSPHWW 	C38H44N10O8	768.3344	NA	PeJP	NA	NA
+MJ093716	11-Taxene-2,5,7,9,10,13,20-heptol, 20-Cinnamoyl, 2,5,7,9,10,13-hexa-Ac 	C41H52O14	768.335706	NA	MeJP	NA	NA
+MJ093717	Zaragozic acid D3; 8',9'-Dihydro 	C41H52O14	768.335706	NA	MeJP	NA	NA
+PJ030853	VVEEMY 	C34H52N6O12S	768.3364	NA	PeJP	NA	NA
+PJ030854	PLMMMF 	C35H56N6O7S3	768.3373	NA	PeJP	NA	NA
+PJ030855	NMRYW 	C35H48N10O8S	768.3377	NA	PeJP	NA	NA
+PJ030856	GGMRYW 	C35H48N10O8S	768.3378	NA	PeJP	NA	NA
+PJ030857	SSQERY 	C31H48N10O13	768.3403	NA	PeJP	NA	NA
+PJ030858	LLMMMM 	C32H60N6O7S4	768.3407	NA	PeJP	NA	NA
+MJ093718	Korundamine A 	C47H48N2O8	768.341066	NA	MeJP	NA	NA
+MJ093719	Michellamine, 1''',2'''-Didehydro, 8'''-Me ether 	C47H48N2O8	768.341066	NA	MeJP	NA	NA
+PJ030859	PCCKRY 	C32H52N10O8S2	768.3411	NA	PeJP	NA	NA
+PJ030860	TTHHHH 	C32H44N14O9	768.3416	NA	PeJP	NA	NA
+PJ030861	CKFWW 	C40H48N8O6S	768.3418	NA	PeJP	NA	NA
+PJ030862	SSSTTMR 	C28H52N10O13S	768.3436	NA	PeJP	NA	NA
+PJ030863	GSKEYW 	C36H48N8O11	768.3443	NA	PeJP	NA	NA
+PJ030864	TCKMMR 	C29H56N10O8S3	768.3445	NA	PeJP	NA	NA
+PJ030865	AQKEMY 	C33H52N8O11S	768.3476	NA	PeJP	NA	NA
+PJ030866	GAAKEMY 	C33H52N8O11S	768.3477	NA	PeJP	NA	NA
+PJ030867	PPDFFF 	C41H48N6O9	768.3483	NA	PeJP	NA	NA
+PJ030868	APCHRW 	C34H48N12O7S	768.349	NA	PeJP	NA	NA
+PJ030869	SSSSSTTL 	C29H52N8O16	768.3501	NA	PeJP	NA	NA
+PJ030870	GTTTKMM 	C30H56N8O11S2	768.351	NA	PeJP	NA	NA
+PJ030871	AQEEHR 	C30H48N12O12	768.3515	NA	PeJP	NA	NA
+PJ030872	PPVMYY 	C38H52N6O9S	768.3517	NA	PeJP	NA	NA
+PJ030873	GCMFRR 	C31H52N12O7S2	768.3524	NA	PeJP	NA	NA
+PJ030874	VLEMMF 	C35H56N6O9S2	768.3551	NA	PeJP	NA	NA
+PJ030875	GSTRYW 	C35H48N10O10	768.3555	NA	PeJP	NA	NA
+MJ093720	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-?-L-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac 	C38H56O16	768.356835	NA	MeJP	NA	NA
+MJ093721	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[?-L-Rhamnosyl-(1?4)-?-D-glucopyranoside], 6-Ac 	C38H56O16	768.356835	NA	MeJP	NA	NA
+PJ030876	GDKMRY 	C32H52N10O10S	768.3589	NA	PeJP	NA	NA
+PJ030877	SKYWW 	C40H48N8O8	768.3595	NA	PeJP	NA	NA
+PJ030878	GGGVFFW 	C40H48N8O8	768.3596	NA	PeJP	NA	NA
+MJ093722	Isopyruthaldine 	C44H52N2O10	768.362195	NA	MeJP	NA	NA
+PJ030879	GDEHRR 	C29H48N14O11	768.3627	NA	PeJP	NA	NA
+PJ030880	GGGGGATHR 	C29H48N14O11	768.3628	NA	PeJP	NA	NA
+PJ030881	AAKMYW 	C37H52N8O8S	768.3629	NA	PeJP	NA	NA
+PJ030882	SDKKEY 	C33H52N8O13	768.3654	NA	PeJP	NA	NA
+PJ030883	PCKKMY 	C34H56N8O8S2	768.3663	NA	PeJP	NA	NA
+PJ030884	SSPHRW 	C34H48N12O9	768.3667	NA	PeJP	NA	NA
+PJ030885	AAEHRW 	C34H48N12O9	768.3668	NA	PeJP	NA	NA
+PJ030886	STTTTKM 	C30H56N8O13S	768.3688	NA	PeJP	NA	NA
+PJ030887	PVVEYY 	C38H52N6O11	768.3694	NA	PeJP	NA	NA
+PJ030888	TKKMMM 	C31H60N8O8S3	768.3697	NA	PeJP	NA	NA
+PJ030889	GSMRRY 	C31H52N12O9S	768.3701	NA	PeJP	NA	NA
+PJ030890	LQHWW 	C39H48N10O7	768.3708	NA	PeJP	NA	NA
+PJ030891	TLLEMY 	C35H56N6O11S	768.3728	NA	PeJP	NA	NA
+PJ030892	APKMHW 	C36H52N10O7S	768.3742	NA	PeJP	NA	NA
+PJ030893	SSKERY 	C32H52N10O12	768.3766	NA	PeJP	NA	NA
+PJ030894	AAPPEER 	C32H52N10O12	768.3767	NA	PeJP	NA	NA
+PJ030895	GKMMFR 	C33H56N10O7S2	768.3775	NA	PeJP	NA	NA
+PJ030896	DHRRW 	C33H48N14O8	768.378	NA	PeJP	NA	NA
+C18097	Deltorphin C	C37H52N8O10	768.3806	NA	KEGG	NA	NA
+PJ030897	ATTKYW 	C37H52N8O10	768.3807	NA	PeJP	NA	NA
+PJ030898	PTCHRR 	C30H52N14O8S	768.3814	NA	PeJP	NA	NA
+PJ030899	AKKEMY 	C34H56N8O10S	768.384	NA	PeJP	NA	NA
+PJ030900	GGPPPTLM 	C34H56N8O10S	768.3841	NA	PeJP	NA	NA
+PJ030901	PPVFFY 	C42H52N6O8	768.3847	NA	PeJP	NA	NA
+PJ030902	SSTRRY 	C31H52N12O11	768.3879	NA	PeJP	NA	NA
+PJ030903	PVLMFY 	C39H56N6O8S	768.3881	NA	PeJP	NA	NA
+PJ030904	VLLMMY 	C36H60N6O8S2	768.3914	NA	PeJP	NA	NA
+PJ030905	PPVDRW 	C36H52N10O9	768.3919	NA	PeJP	NA	NA
+MJ093723	3,15,23-Trihydroxyspirost-5-en-26-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H60O15	768.393221	NA	MeJP	NA	NA
+MJ093724	3-Hydroxypregna-5,16-dien-20-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C39H60O15	768.393221	NA	MeJP	NA	NA
+PJ030906	ATKMRY 	C33H56N10O9S	768.3953	NA	PeJP	NA	NA
+PJ030907	APPLWW 	C41H52N8O7	768.3959	NA	PeJP	NA	NA
+PJ030908	ATEHRR 	C30H52N14O10	768.3991	NA	PeJP	NA	NA
+PJ030909	PCKKFF 	C38H56N8O7S	768.3993	NA	PeJP	NA	NA
+PJ030910	TTKKEY 	C34H56N8O12	768.4018	NA	PeJP	NA	NA
+PJ030911	CLKKMF 	C35H60N8O7S2	768.4027	NA	PeJP	NA	NA
+PJ030912	GTLHRW 	C35H52N12O8	768.4031	NA	PeJP	NA	NA
+PJ030913	GGGKKHW 	C35H52N12O8	768.4032	NA	PeJP	NA	NA
+MJ093725	Antibiotic RPI 856C 	C39H56N6O10	768.405792	NA	MeJP	NA	NA
+PJ030914	PTLLYY 	C39H56N6O10	768.4058	NA	PeJP	NA	NA
+PJ030915	PTKMHR 	C32H56N12O8S	768.4065	NA	PeJP	NA	NA
+PJ030916	LKHWW 	C40H52N10O6	768.4072	NA	PeJP	NA	NA
+MJ093726	Goniodomin A 	C43H60O12	768.408477	NA	MeJP	NA	NA
+MJ093727	Pseudovinblastinediol 	C44H56N4O8	768.409814	NA	MeJP	NA	NA
+MJ093728	Vinblastine; O17-De-Ac 	C44H56N4O8	768.409814	NA	MeJP	NA	NA
+PJ030917	TTTKRY 	C33H56N10O11	768.413	NA	PeJP	NA	NA
+PJ030918	GGAPPDKK 	C33H56N10O11	768.4131	NA	PeJP	NA	NA
+PJ030919	GPHFRR 	C34H52N14O7	768.4144	NA	PeJP	NA	NA
+PJ030920	ALQKFY 	C38H56N8O9	768.417	NA	PeJP	NA	NA
+PJ030921	PPLKEW 	C38H56N8O9	768.4171	NA	PeJP	NA	NA
+PJ030922	GLMHRR 	C31H56N14O7S	768.4178	NA	PeJP	NA	NA
+3922	aurein 1,2,	GLFDIIKKIAESFG	768.4199	MH2+	Inhouse_peptide	NA	peptide
+PJ030923	SLKKMY 	C35H60N8O9S	768.4204	NA	PeJP	NA	NA
+PJ030924	PVLFFF 	C43H56N6O7	768.4211	NA	PeJP	NA	NA
+PJ030925	SLKEHR 	C32H56N12O10	768.4243	NA	PeJP	NA	NA
+PJ030926	VLLMFF 	C40H60N6O7S	768.4245	NA	PeJP	NA	NA
+PJ030927	PPTLRW 	C37H56N10O8	768.4283	NA	PeJP	NA	NA
+MJ093729	Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C40H64O14	768.429606	NA	MeJP	NA	NA
+PJ030928	GPPVLMR 	C34H60N10O8S	768.4317	NA	PeJP	NA	NA
+PJ030929	STLHRR 	C31H56N14O9	768.4355	NA	PeJP	NA	NA
+PJ030930	SPPVLKE 	C35H60N8O11	768.4382	NA	PeJP	NA	NA
+PJ030931	KFRRY 	C36H56N12O7	768.4395	NA	PeJP	NA	NA
+PJ030932	VVLLYY 	C40H60N6O9	768.4422	NA	PeJP	NA	NA
+PJ030933	PPLMRR 	C33H60N12O7S	768.4429	NA	PeJP	NA	NA
+MJ093730	Petrosolic acid 	C44H64O11	768.444862	NA	MeJP	NA	NA
+PJ030934	GPQRRR 	C30H56N16O8	768.4467	NA	PeJP	NA	NA
+PJ030935	GGAPRRR 	C30H56N16O8	768.4468	NA	PeJP	NA	NA
+PJ030936	AAPLLER 	C34H60N10O10	768.4494	NA	PeJP	NA	NA
+PJ030937	PLLLQW 	C39H60N8O8	768.4534	NA	PeJP	NA	NA
+PJ030938	GAPLLLW 	C39H60N8O8	768.4535	NA	PeJP	NA	NA
+PJ030939	APPLLKM 	C36H64N8O8S	768.4568	NA	PeJP	NA	NA
+PJ030940	PVLERR 	C33H60N12O9	768.4607	NA	PeJP	NA	NA
+PJ030941	PVVLRW 	C38H60N10O7	768.4647	NA	PeJP	NA	NA
+MJ093731	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-L-rhamnopyranoside 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093732	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093733	22,25-Epoxycycloartane-3,16,28-triol, 3-O-?-L-Arabinopyranoside, 28-O-?-D-galactopyranoside 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093734	3,11,16-Trihydroxycycloartan-24-one, 3-O-?-D-Glucopyranoside, 16-O-?-L-arabinopyranoside 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093735	3,15,22-Trihydroxy-6-hopanone, 3-O-?-L-Arabinopyranoside, 15-O-?-D-glucopyranoside 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093736	8,16,26,34,36-Pentahydroxy-2,6,10,14,18,24,28,32-hentetracontaneoctone 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093737	Bacoside A 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093738	Bafilomycin A1; O21-(?-L-Rhamnopyranoside) 	C41H68O13	768.465992	NA	MeJP	NA	NA
+MJ093739	Cycloart-24-ene-3,16,22,28-tetrol, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranoside 	C41H68O13	768.465992	NA	MeJP	NA	NA
+C08969	Pittoside A	C41H68O13	768.466	NA	KEGG	NA	NA
+C16784	HMT-toxin	C41H68O13	768.466	NA	KEGG	NA	NA
+PJ030942	LLKKMH 	C35H64N10O7S	768.468	NA	PeJP	NA	NA
+PJ030943	PVNKRR 	C32H60N14O8	768.4719	NA	PeJP	NA	NA
+PJ030944	GPLLLKE 	C36H64N8O10	768.4746	NA	PeJP	NA	NA
+MJ093740	1,2-Di-O-acylglycerols; Glycerol 1-(3Z,6Z,9Z,12Z,15Z-octadecapentaenoate) 2-(6Z,9Z,12Z,15Z-octadecatetraenoate), 3-O-?-D-Galactopyranoside (2R-) 	C45H68O10	768.481248	NA	MeJP	NA	NA
+PJ030945	GPKRRR 	C31H60N16O7	768.4831	NA	PeJP	NA	NA
+PJ030946	GPTLLLR 	C35H64N10O9	768.4858	NA	PeJP	NA	NA
+PJ030947	PLLLKW 	C40H64N8O7	768.4898	NA	PeJP	NA	NA
+HMDB10595	PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C42H73O10P	768.494141	NA	HMDB2010	NA	NA
+HMDB10651	PG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	C42H73O10P	768.494141	NA	HMDB2010	NA	NA
+HMDB10652	PG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	C42H73O10P	768.494141	NA	HMDB2010	NA	NA
+HMDB10665	PG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	C42H73O10P	768.494141	NA	HMDB2010	NA	NA
+HMDB10680	PG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	C42H73O10P	768.494141	NA	HMDB2010	NA	NA
+PJ030948	PLQKKR 	C34H64N12O8	768.497	NA	PeJP	NA	NA
+MJ093741	Dammar-24-ene-3,12,20-triol, 20-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O12	768.502377	NA	MeJP	NA	NA
+MJ093742	Dunaimycin D2S; 8-Deglycosyloxy 	C42H72O12	768.502377	NA	MeJP	NA	NA
+PJ030949	SPVLLLK 	C37H68N8O9	768.511	NA	PeJP	NA	NA
+PJ030950	AALLLLR 	C36H68N10O8	768.5222	NA	PeJP	NA	NA
+PJ030951	VLLLRR 	C35H68N12O7	768.5334	NA	PeJP	NA	NA
+PJ030952	AVLLLLK 	C38H72N8O8	768.5473	NA	PeJP	NA	NA
+PJ030953	GLLLLLK 	C38H72N8O8	768.5474	NA	PeJP	NA	NA
+EUR1111	SM(d18:1/22:3) [M-H-CH3]-	C45H87N2O6P	768.614526	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1111	SM(d18:1/22:3) [M-H-CH3]-	C45H87N2O6P	768.614526	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1111	SM(d18:1/22:3) [M-H-CH3]-	C45H87N2O6P	768.614526	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1111	SM(d18:1/22:3) [M-H-CH3]-	C45H87N2O6P	768.614526	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093743	Cericerol II; 2Z,6Z-Isomer, 24-(26-hydroxyhexacosanoyl) 	C51H92O4	768.699561	NA	MeJP	NA	NA
+MJ093744	Dolichols; Dolichol 11 	C55H92O	768.714817	NA	MeJP	NA	NA
+7677	ACE inhibitor from b-CN (46-59), rat	KFHSGIQSEPKAIP	768.904	MH2+	Inhouse_peptide	NA	peptide
+PJ030954	SCCCCDH 	C25H39N9O11S4	769.1652	NA	PeJP	NA	NA
+PJ030955	PCCCDDD 	C26H39N7O14S3	769.1718	NA	PeJP	NA	NA
+PJ030956	ACCCCMH 	C26H43N9O8S5	769.1838	NA	PeJP	NA	NA
+PJ030957	GCDDDDM 	C26H39N7O16S2	769.1895	NA	PeJP	NA	NA
+PJ030958	SCCNNDD 	C25H39N9O15S2	769.2007	NA	PeJP	NA	NA
+PJ030959	GGGGSCCDD 	C25H39N9O15S2	769.2008	NA	PeJP	NA	NA
+PJ030960	SSCCCMH 	C26H43N9O10S4	769.2016	NA	PeJP	NA	NA
+PJ030961	CCDDEW 	C30H39N7O13S2	769.2048	NA	PeJP	NA	NA
+PJ030962	SSCDDDE 	C26H39N7O18S	769.2073	NA	PeJP	NA	NA
+PJ030963	SPCCDDM 	C27H43N7O13S3	769.2081	NA	PeJP	NA	NA
+PJ030964	GCCNNEM 	C26H43N9O12S3	769.2194	NA	PeJP	NA	NA
+PJ030965	GSDDDMM 	C27H43N7O15S2	769.2259	NA	PeJP	NA	NA
+PJ030966	GPCCEMM 	C28H47N7O10S4	769.2268	NA	PeJP	NA	NA
+PJ030967	GCCCNDR 	C25H43N11O11S3	769.2306	NA	PeJP	NA	NA
+PJ030968	CCNNMW 	C30H43N9O9S3	769.2346	NA	PeJP	NA	NA
+PJ030969	SSCNNDM 	C26H43N9O14S2	769.2371	NA	PeJP	NA	NA
+PJ030970	PCCCCNK 	C27H47N9O9S4	769.238	NA	PeJP	NA	NA
+PJ030971	NDDDEY 	C30H39N7O17	769.2403	NA	PeJP	NA	NA
+PJ030972	SCDEMW 	C31H43N7O12S2	769.2411	NA	PeJP	NA	NA
+PJ030973	PCCMMW 	C32H47N7O7S4	769.242	NA	PeJP	NA	NA
+PJ030974	SSSDDEM 	C27H43N7O17S	769.2436	NA	PeJP	NA	NA
+PJ030975	NDEMMM 	C28H47N7O12S3	769.2445	NA	PeJP	NA	NA
+PJ030976	GSCDDHH 	C28H39N11O13S	769.245	NA	PeJP	NA	NA
+PJ030977	APCCCHH 	C29H43N11O8S3	769.2459	NA	PeJP	NA	NA
+PJ030978	GPDDDDH 	C29H39N9O16	769.2515	NA	PeJP	NA	NA
+PJ030979	GSSCCQW 	C30H43N9O11S2	769.2524	NA	PeJP	NA	NA
+PJ030980	GSSSSCNE 	C26H43N9O16S	769.2549	NA	PeJP	NA	NA
+PJ030981	GDDDYW 	C34H39N7O14	769.2555	NA	PeJP	NA	NA
+PJ030982	CCEEMR 	C27H47N9O11S3	769.2557	NA	PeJP	NA	NA
+PJ030983	CDDMMR 	C27H47N9O11S3	769.2558	NA	PeJP	NA	NA
+PJ030984	PCCDFW 	C35H43N7O9S2	769.2564	NA	PeJP	NA	NA
+PJ030985	GSPCDEY 	C31H43N7O14S	769.2589	NA	PeJP	NA	NA
+PJ030986	GDMMMW 	C32H47N7O9S3	769.2598	NA	PeJP	NA	NA
+PJ030987	GSSEEMM 	C28H47N7O14S2	769.2623	NA	PeJP	NA	NA
+PJ030988	GPTCMMM 	C29H51N7O9S4	769.2631	NA	PeJP	NA	NA
+PJ030989	CNEMHH 	C29H43N11O10S2	769.2636	NA	PeJP	NA	NA
+PJ030990	GSCCNMR 	C26H47N11O10S3	769.267	NA	PeJP	NA	NA
+PJ030991	CCNHFF 	C34H43N9O8S2	769.2676	NA	PeJP	NA	NA
+PJ030992	SSSSCNW 	C30H43N9O13S	769.2701	NA	PeJP	NA	NA
+PJ030993	GGGGGGDMY 	C30H43N9O13S	769.2702	NA	PeJP	NA	NA
+PJ030994	CCCQKW 	C31H47N9O8S3	769.271	NA	PeJP	NA	NA
+PJ030995	SSSSSSND 	C26H43N9O18	769.2726	NA	PeJP	NA	NA
+PJ030996	SSSNNMM 	C27H47N9O13S2	769.2735	NA	PeJP	NA	NA
+PJ030997	SPCDYW 	C35H43N7O11S	769.2742	NA	PeJP	NA	NA
+PJ030998	CCDHHR 	C28H43N13O9S2	769.2749	NA	PeJP	NA	NA
+PJ030999	SSSPDDY 	C31H43N7O16	769.2766	NA	PeJP	NA	NA
+PJ031000	SNEEEY 	C31H43N7O16	769.2767	NA	PeJP	NA	NA
+PJ031001	SSEMMW 	C32H47N7O11S2	769.2775	NA	PeJP	NA	NA
+PJ031002	GCMHHW 	C33H43N11O7S2	769.2789	NA	PeJP	NA	NA
+PJ031003	SSSTEEM 	C28H47N7O16S	769.28	NA	PeJP	NA	NA
+PJ031004	TQEMMM 	C29H51N7O11S3	769.2809	NA	PeJP	NA	NA
+PJ031005	GSSDMHH 	C29H43N11O12S	769.2814	NA	PeJP	NA	NA
+PJ031006	MMYYY 	C37H47N5O9S2	769.2815	NA	PeJP	NA	NA
+PJ031007	SSSCCQR 	C26H47N11O12S2	769.2847	NA	PeJP	NA	NA
+PJ031008	GCNQYW 	C34H43N9O10S	769.2854	NA	PeJP	NA	NA
+PJ031009	SDDDRY 	C30H43N9O15	769.2879	NA	PeJP	NA	NA
+PJ031010	GSSCCKW 	C31H47N9O10S2	769.2888	NA	PeJP	NA	NA
+PJ031011	CEFWW 	C39H43N7O8S	769.2894	NA	PeJP	NA	NA
+PJ031012	GSSSSSQM 	C27H47N9O15S	769.2913	NA	PeJP	NA	NA
+PJ031013	GSEEYW 	C35H43N7O13	769.2919	NA	PeJP	NA	NA
+PJ031014	SDMMMR 	C28H51N9O10S3	769.2921	NA	PeJP	NA	NA
+PJ031015	APCMYW 	C36H47N7O8S2	769.2928	NA	PeJP	NA	NA
+MJ093745	Antibiotic IT 62B 	C39H47NO15	769.294569	NA	MeJP	NA	NA
+MJ093746	Rifamycin Y 	C39H47NO15	769.294569	NA	MeJP	NA	NA
+PJ031016	AQEEMY 	C32H47N7O13S	769.2953	NA	PeJP	NA	NA
+PJ031017	DFYYY 	C40H43N5O11	769.2959	NA	PeJP	NA	NA
+PJ031018	ATMMMW 	C33H51N7O8S3	769.2961	NA	PeJP	NA	NA
+PJ031019	SCLMMW 	C33H51N7O8S3	769.2962	NA	PeJP	NA	NA
+PJ031020	STCHHW 	C33H43N11O9S	769.2966	NA	PeJP	NA	NA
+PJ031021	GTTTEMM 	C29H51N7O13S2	769.2986	NA	PeJP	NA	NA
+PJ031022	SSSSEHH 	C29H43N11O14	769.2991	NA	PeJP	NA	NA
+PJ031023	GGGGGAEEH 	C29H43N11O14	769.2992	NA	PeJP	NA	NA
+PJ031024	VQMMMM 	C30H55N7O8S4	769.2995	NA	PeJP	NA	NA
+PJ031025	CCNQFR 	C30H47N11O9S2	769.3	NA	PeJP	NA	NA
+PJ031026	GSSSSSCR 	C26H47N11O14S	769.3025	NA	PeJP	NA	NA
+PJ031027	SSNNYW 	C34H43N9O12	769.3031	NA	PeJP	NA	NA
+PJ031028	GGGGSSYW 	C34H43N9O12	769.3032	NA	PeJP	NA	NA
+PJ031029	GTCCCKR 	C27H51N11O9S3	769.3034	NA	PeJP	NA	NA
+PJ031030	PPCMHW 	C35H47N9O7S2	769.304	NA	PeJP	NA	NA
+PJ031031	GDEMRY 	C31H47N9O12S	769.3065	NA	PeJP	NA	NA
+PJ031032	SEYWW 	C39H43N7O10	769.3072	NA	PeJP	NA	NA
+PJ031033	CCCKKW 	C32H51N9O7S3	769.3074	NA	PeJP	NA	NA
+PJ031034	SSSSSSTQ 	C27H47N9O17	769.309	NA	PeJP	NA	NA
+PJ031035	SSSCQKM 	C28H51N9O12S2	769.3099	NA	PeJP	NA	NA
+PJ031036	NNDDHR 	C28H43N13O13	769.3104	NA	PeJP	NA	NA
+PJ031037	AAEMYW 	C36H47N7O10S	769.3105	NA	PeJP	NA	NA
+PJ031038	GGPDMFF 	C36H47N7O10S	769.3106	NA	PeJP	NA	NA
+PJ031039	AMMMMR 	C29H55N9O7S4	769.3108	NA	PeJP	NA	NA
+PJ031040	SCMHHR 	C29H47N13O8S2	769.3112	NA	PeJP	NA	NA
+PJ031041	SDKEEY 	C32H47N7O15	769.313	NA	PeJP	NA	NA
+PJ031042	TTTMMW 	C33H51N7O10S2	769.3139	NA	PeJP	NA	NA
+PJ031043	GNQEHW 	C33H43N11O11	769.3144	NA	PeJP	NA	NA
+PJ031044	MFFYY 	C41H47N5O8S	769.3145	NA	PeJP	NA	NA
+PJ031045	STTTTEM 	C29H51N7O15S	769.3164	NA	PeJP	NA	NA
+PJ031046	TKEMMM 	C30H55N7O10S3	769.3173	NA	PeJP	NA	NA
+PJ031047	SCNQRY 	C30H47N11O11S	769.3177	NA	PeJP	NA	NA
+PJ031048	GGSCQRY 	C30H47N11O11S	769.3178	NA	PeJP	NA	NA
+PJ031049	SSSCCKR 	C27H51N11O11S2	769.3211	NA	PeJP	NA	NA
+PJ031050	DMRYW 	C35H47N9O9S	769.3218	NA	PeJP	NA	NA
+PJ031051	SSEERY 	C31H47N9O14	769.3243	NA	PeJP	NA	NA
+PJ031052	PTCMRY 	C32H51N9O9S2	769.3251	NA	PeJP	NA	NA
+PJ031053	GEMMFR 	C32H51N9O9S2	769.3252	NA	PeJP	NA	NA
+PJ031054	PNEHHH 	C32H43N13O10	769.3256	NA	PeJP	NA	NA
+PJ031055	CLYWW 	C40H47N7O7S	769.3258	NA	PeJP	NA	NA
+PJ031056	GSSSSSKM 	C28H51N9O14S	769.3276	NA	PeJP	NA	NA
+PJ031057	ATTEYW 	C36H47N7O12	769.3283	NA	PeJP	NA	NA
+PJ031058	TTMMMR 	C29H55N9O9S3	769.3285	NA	PeJP	NA	NA
+PJ031059	GSPCNHR 	C29H47N13O10S	769.329	NA	PeJP	NA	NA
+PJ031060	GVMMFW 	C37H51N7O7S2	769.3292	NA	PeJP	NA	NA
+PJ031061	NQHWW 	C37H43N11O8	769.3296	NA	PeJP	NA	NA
+MJ093747	Streptovaricin; Streptovaricin C 	C40H51NO14	769.330955	NA	MeJP	NA	NA
+PJ031062	AKEEMY 	C33H51N7O12S	769.3317	NA	PeJP	NA	NA
+PJ031063	VYYYY 	C41H47N5O10	769.3323	NA	PeJP	NA	NA
+PJ031064	AQMHHF 	C34H47N11O8S	769.333	NA	PeJP	NA	NA
+PJ031065	SSTTLMM 	C30H55N7O12S2	769.335	NA	PeJP	NA	NA
+7903	peptide from bovine b-lactoglobulin	WYSLAM	769.3354	antioxidative	Inhouse_peptide	NA	peptide
+PJ031066	GSSSNRY 	C30H47N11O13	769.3355	NA	PeJP	NA	NA
+PJ031067	VKMMMM 	C31H59N7O7S4	769.3359	NA	PeJP	NA	NA
+PJ031068	CCNKFR 	C31H51N11O8S2	769.3364	NA	PeJP	NA	NA
+PJ031069	GLEEHW 	C35H47N9O11	769.3395	NA	PeJP	NA	NA
+PJ031070	GGAAPPDW 	C35H47N9O11	769.3396	NA	PeJP	NA	NA
+PJ031071	MMFRW 	C36H51N9O6S2	769.3404	NA	PeJP	NA	NA
+PJ031072	GPHHHW 	C36H43N13O7	769.3409	NA	PeJP	NA	NA
+PJ031073	ATEMRY 	C32H51N9O11S	769.3429	NA	PeJP	NA	NA
+PJ031074	AAPYYW 	C40H47N7O9	769.3435	NA	PeJP	NA	NA
+PJ031075	GPTFYW 	C40H47N7O9	769.3436	NA	PeJP	NA	NA
+PJ031076	ACHHFR 	C33H47N13O7S	769.3442	NA	PeJP	NA	NA
+PJ031077	SSSSSSTK 	C28H51N9O16	769.3454	NA	PeJP	NA	NA
+PJ031078	SSSCKKM 	C29H55N9O11S2	769.3463	NA	PeJP	NA	NA
+PJ031079	SNQEHR 	C29H47N13O12	769.3467	NA	PeJP	NA	NA
+PJ031080	GGGGTEHR 	C29H47N13O12	769.3468	NA	PeJP	NA	NA
+PJ031081	GTLMYW 	C37H51N7O9S	769.3469	NA	PeJP	NA	NA
+PJ031082	FFFFY 	C45H47N5O7	769.3476	NA	PeJP	NA	NA
+PJ031083	TTKEEY 	C33H51N7O14	769.3494	NA	PeJP	NA	NA
+PJ031084	PTKMMY 	C34H55N7O9S2	769.3503	NA	PeJP	NA	NA
+PJ031085	GNKEHW 	C34H47N11O10	769.3508	NA	PeJP	NA	NA
+PJ031086	SCNKRY 	C31H51N11O10S	769.3541	NA	PeJP	NA	NA
+PJ031087	GGSPPPCR 	C31H51N11O10S	769.3542	NA	PeJP	NA	NA
+PJ031088	LEHWW 	C39H47N9O8	769.3548	NA	PeJP	NA	NA
+PJ031089	SPLMHW 	C36H51N9O8S	769.3582	NA	PeJP	NA	NA
+PJ031090	ASSSQKY 	C32H51N9O13	769.3606	NA	PeJP	NA	NA
+PJ031091	TTTERY 	C32H51N9O13	769.3607	NA	PeJP	NA	NA
+PJ031092	GLMMRY 	C33H55N9O8S2	769.3615	NA	PeJP	NA	NA
+PJ031093	GSQHRW 	C33H47N13O9	769.362	NA	PeJP	NA	NA
+PJ031094	STTLYW 	C37H51N7O11	769.3647	NA	PeJP	NA	NA
+PJ031095	AQQMHR 	C30H51N13O9S	769.3654	NA	PeJP	NA	NA
+PJ031096	NKHWW 	C38H47N11O7	769.366	NA	PeJP	NA	NA
+MJ093748	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-(3-Dimethylamino-2-hydroxy-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac 	C41H55NO13	769.36734	NA	MeJP	NA	NA
+MJ093749	4(20),12-Taxadiene-2,5,7,9,10,11,13-heptol, 5-(3-Dimethylamino-3-phenylpropanoyl)(R-), 2,7,9,10,13-penta-Ac 	C41H55NO13	769.36734	NA	MeJP	NA	NA
+MJ093750	Spicataxine; O9-Ac, 7?-acetoxy 	C41H55NO13	769.36734	NA	MeJP	NA	NA
+PJ031097	SLKEMY 	C34H55N7O11S	769.368	NA	PeJP	NA	NA
+PJ031098	VTKEMY 	C34H55N7O11S	769.3681	NA	PeJP	NA	NA
+PJ031099	AKMHHF 	C35H51N11O7S	769.3694	NA	PeJP	NA	NA
+PJ031100	SLEEHR 	C31H51N11O12	769.3719	NA	PeJP	NA	NA
+PJ031101	PVMMHR 	C32H55N11O7S2	769.3728	NA	PeJP	NA	NA
+PJ031102	SPHHHR 	C32H47N15O8	769.3732	NA	PeJP	NA	NA
+PJ031103	SVLEHW 	C36H51N9O10	769.3759	NA	PeJP	NA	NA
+PJ031104	GNMHRR 	C29H51N15O8S	769.3766	NA	PeJP	NA	NA
+PJ031105	STLMRY 	C33H55N9O10S	769.3793	NA	PeJP	NA	NA
+PJ031106	AALFYW 	C41H51N7O8	769.3799	NA	PeJP	NA	NA
+PJ031107	GGPVFFF 	C41H51N7O8	769.38	NA	PeJP	NA	NA
+PJ031108	SNKEHR 	C30H51N13O11	769.3831	NA	PeJP	NA	NA
+PJ031109	GGGGAAPQR 	C30H51N13O11	769.3832	NA	PeJP	NA	NA
+PJ031110	PCLKFY 	C38H55N7O8S	769.3833	NA	PeJP	NA	NA
+PJ031111	SSSTLLY 	C34H55N7O13	769.3858	NA	PeJP	NA	NA
+PJ031112	VVKMMY 	C35H59N7O8S2	769.3867	NA	PeJP	NA	NA
+PJ031113	SPPQRW 	C35H51N11O9	769.3871	NA	PeJP	NA	NA
+PJ031114	PPTNRW 	C35H51N11O9	769.3872	NA	PeJP	NA	NA
+PJ031115	VVEMHR 	C32H55N11O9S	769.3905	NA	PeJP	NA	NA
+MJ093751	Segetalin C 	C40H51N9O7	769.391145	NA	MeJP	NA	NA
+PJ031116	GPPKWW 	C40H51N9O7	769.3912	NA	PeJP	NA	NA
+PJ031117	SSQHRR 	C29H51N15O10	769.3944	NA	PeJP	NA	NA
+PJ031118	ALLMHW 	C37H55N9O7S	769.3946	NA	PeJP	NA	NA
+PJ031119	GSSTKKY 	C33H55N9O12	769.397	NA	PeJP	NA	NA
+PJ031120	VVVTTDH 	C33H55N9O12	769.3971	NA	PeJP	NA	NA
+PJ031121	GSKHRW 	C34H51N13O8	769.3984	NA	PeJP	NA	NA
+MJ093752	Hymenamide D 	C38H55N7O10	769.401041	NA	MeJP	NA	NA
+PJ031122	SPLKYY 	C38H55N7O10	769.4011	NA	PeJP	NA	NA
+PJ031123	PPNMRR 	C31H55N13O8S	769.4018	NA	PeJP	NA	NA
+PJ031124	APPLLEM 	C35H59N7O10S	769.4044	NA	PeJP	NA	NA
+PJ031125	PPVVVEM 	C35H59N7O10S	769.4045	NA	PeJP	NA	NA
+PJ031126	GSPPKER 	C32H55N11O11	769.4083	NA	PeJP	NA	NA
+PJ031127	ALHHHR 	C33H51N15O7	769.4096	NA	PeJP	NA	NA
+PJ031128	TTLLHW 	C37H55N9O9	769.4123	NA	PeJP	NA	NA
+PJ031129	ACKHRR 	C30H55N15O7S	769.413	NA	PeJP	NA	NA
+PJ031130	TCKKKY 	C34H59N9O9S	769.4157	NA	PeJP	NA	NA
+PJ031131	PVNERR 	C31H55N13O10	769.4195	NA	PeJP	NA	NA
+PJ031132	VVKMFF 	C39H59N7O7S	769.4197	NA	PeJP	NA	NA
+PJ031133	GPLLLEE 	C35H59N7O12	769.4222	NA	PeJP	NA	NA
+PJ031134	SPPKRW 	C36H55N11O8	769.4235	NA	PeJP	NA	NA
+PJ031135	GAAPLRW 	C36H55N11O8	769.4236	NA	PeJP	NA	NA
+MJ093753	Carbomycin B; 4''-O-De(3-methylbutanoyl), 4''-O-butanoyl, O-de-Ac 	C39H63NO14	769.424855	NA	MeJP	NA	NA
+C12152	Niddamycin	C39H63NO14	769.4249	NA	KEGG	NA	NA
+PJ031136	TLLMHR 	C33H59N11O8S	769.4269	NA	PeJP	NA	NA
+PJ031137	GPERRR 	C30H55N15O9	769.4308	NA	PeJP	NA	NA
+PJ031138	SSTLLLH 	C34H59N9O11	769.4334	NA	PeJP	NA	NA
+PJ031139	GGGPLLKE 	C34H59N9O11	769.4335	NA	PeJP	NA	NA
+PJ031140	GPVRRW 	C35H55N13O7	769.4348	NA	PeJP	NA	NA
+PJ031141	ALLKYY 	C39H59N7O9	769.4374	NA	PeJP	NA	NA
+PJ031142	PLLLEW 	C39H59N7O9	769.4375	NA	PeJP	NA	NA
+PJ031143	AKKMHR 	C32H59N13O7S	769.4381	NA	PeJP	NA	NA
+MJ093754	Selamectin 	C43H63NO11	769.440111	NA	MeJP	NA	NA
+PJ031144	SPPLLLM 	C36H63N7O9S	769.4408	NA	PeJP	NA	NA
+PJ031145	PLQKER 	C33H59N11O10	769.4447	NA	PeJP	NA	NA
+PJ031146	PRRRW 	C34H55N15O6	769.446	NA	PeJP	NA	NA
+PJ031147	PVLQKW 	C38H59N9O8	769.4487	NA	PeJP	NA	NA
+PJ031148	GPPLKKM 	C35H63N9O8S	769.4521	NA	PeJP	NA	NA
+2994	kinases inhibitor	KKALRRQEIVDAL	769.45545	MH2+	Inhouse_peptide	NA	peptide
+3021	kinases inhibitor	KKALRRQELVDAL	769.45545	MH2+	Inhouse_peptide	NA	peptide
+PJ031149	PVDKRR 	C32H59N13O9	769.4559	NA	PeJP	NA	NA
+PJ031150	SPVLLLE 	C36H63N7O11	769.4586	NA	PeJP	NA	NA
+PJ031151	APLKRW 	C37H59N11O7	769.4599	NA	PeJP	NA	NA
+MJ093755	Microginin 478 	C41H63N5O9	769.462578	NA	MeJP	NA	NA
+PJ031152	VKKKMH 	C34H63N11O7S	769.4633	NA	PeJP	NA	NA
+PJ031153	SPVRRR 	C31H59N15O8	769.4671	NA	PeJP	NA	NA
+PJ031154	GPVLKKE 	C35H63N9O10	769.4698	NA	PeJP	NA	NA
+PJ031155	APPLLLF 	C40H63N7O8	769.4738	NA	PeJP	NA	NA
+MJ093756	Pohlianin A; 2-L-Leucine analogue 	C40H63N7O8	769.473812	NA	MeJP	NA	NA
+PJ031156	APPIILF 	C40H63N7O8	769.4739	NA	PeJP	NA	NA
+PJ031157	APLLLLM 	C37H67N7O8S	769.4772	NA	PeJP	NA	NA
+PJ031158	PLKKER 	C34H63N11O9	769.4811	NA	PeJP	NA	NA
+PJ031159	PVLKKW 	C39H63N9O7	769.4851	NA	PeJP	NA	NA
+PJ031160	PTLKRR 	C33H63N13O8	769.4923	NA	PeJP	NA	NA
+PJ031161	GLLLLLE 	C37H67N7O10	769.495	NA	PeJP	NA	NA
+PJ031162	GLLRRR 	C32H63N15O7	769.5035	NA	PeJP	NA	NA
+PJ031163	APTLLKK 	C36H67N9O9	769.5062	NA	PeJP	NA	NA
+PJ031164	LLLLLW 	C41H67N7O7	769.5102	NA	PeJP	NA	NA
+PJ031165	LLLQKR 	C35H67N11O8	769.5174	NA	PeJP	NA	NA
+PJ031166	VVLKRR 	C34H67N13O7	769.5287	NA	PeJP	NA	NA
+PJ031167	SVLLLLL 	C38H71N7O9	769.5314	NA	PeJP	NA	NA
+PJ031168	GVLLLKK 	C37H71N9O8	769.5426	NA	PeJP	NA	NA
+PJ031169	LLLKKR 	C36H71N11O7	769.5538	NA	PeJP	NA	NA
+HMDB07947	PC(15:0/20:3(5Z,8Z,11Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB07948	PC(15:0/20:3(8Z,11Z,14Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB08363	PC(20:3(5Z,8Z,11Z)/15:0)	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB08396	PC(20:3(8Z,11Z,14Z)/15:0)	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB08975	PE(16:1(9Z)/22:2(13Z,16Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09001	PE(18:0/20:3(5Z,8Z,11Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09002	PE(18:0/20:3(8Z,11Z,14Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09033	PE(18:1(11Z)/20:2(11Z,14Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09066	PE(18:1(9Z)/20:2(11Z,14Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09098	PE(18:2(9Z,12Z)/20:1(11Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09130	PE(18:3(6Z,9Z,12Z)/20:0)	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09163	PE(18:3(9Z,12Z,15Z)/20:0)	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09226	PE(20:0/18:3(6Z,9Z,12Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09227	PE(20:0/18:3(9Z,12Z,15Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09258	PE(20:1(11Z)/18:2(9Z,12Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09289	PE(20:2(11Z,14Z)/18:1(11Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09290	PE(20:2(11Z,14Z)/18:1(9Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09321	PE(20:3(5Z,8Z,11Z)/18:0)	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09354	PE(20:3(8Z,11Z,14Z)/18:0)	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+HMDB09551	PE(22:2(13Z,16Z)/16:1(9Z))	C43H80NO8P	769.562134	NA	HMDB2010	NA	NA
+EUR971	PC 36:3 [M-H-CH3]-	C44H82NO8P	769.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR971	PC 36:3 [M-H-CH3]-	C44H82NO8P	769.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR971	PC 36:3 [M-H-CH3]-	C44H82NO8P	769.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR971	PC 36:3 [M-H-CH3]-	C44H82NO8P	769.562157	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08095	PC(18:1(11Z)/P-18:1(11Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB08096	PC(18:1(11Z)/P-18:1(9Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB08128	PC(18:1(9Z)/P-18:1(11Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB08129	PC(18:1(9Z)/P-18:1(9Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB08160	PC(18:2(9Z,12Z)/P-18:0)	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB08357	PC(20:2(11Z,14Z)/P-16:0)	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB11217	PC(P-16:0/20:2(11Z,14Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB11244	PC(P-18:0/18:2(9Z,12Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB11275	PC(P-18:1(11Z)/18:1(11Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB11276	PC(P-18:1(11Z)/18:1(9Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB11308	PC(P-18:1(9Z)/18:1(11Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB11309	PC(P-18:1(9Z)/18:1(9Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB13425	PC(o-18:1(11Z)/18:2(9Z,12Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+HMDB13429	PC(o-18:1(9Z)/18:2(9Z,12Z))	C44H84NO7P	769.598511	NA	HMDB2010	NA	NA
+MJ093757	Asteriacerebroside B 	C44H83NO9	769.606783	NA	MeJP	NA	NA
+MJ093758	Asteriacerebroside C 	C44H83NO9	769.606783	NA	MeJP	NA	NA
+MJ093759	2,3-Hexahydroxydiphenoyl-scyllo-quercitol; (S)axial-form, 1,4-Bis(3,4,5-trihydroxybenzoyl) 	C34H26O21	770.096657	NA	MeJP	NA	NA
+MJ093760	2,3-Hexahydroxydiphenoyl-scyllo-quercitol; (S)axial-form, 1,5-Bis(3,4,5-trihydroxybenzoyl) 	C34H26O21	770.096657	NA	MeJP	NA	NA
+MJ093761	3,4-Hexahydroxydiphenoyl-proto-quercitol; (S)axial-form, 1,5-Bis(3,4,5-trihydroxybenzoyl) 	C34H26O21	770.096657	NA	MeJP	NA	NA
+FL5FAAGL0075	Kaempferol 3-(3''-p-coumaryl-6''-ferulylglucoside)	C40H34O16	770.18468	69200-63-1	knapsack	NA	NA
+FL5FADGL0039	Isorhamnetin 3-(3'',6''-di-p-coumarylglucoside)	C40H34O16	770.18468	104582-31-2	knapsack	NA	NA
+MJ093762	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 3'',6''-Bis-O-(4-Hydroxycinnamoyl) 	C40H34O16	770.184685	NA	MeJP	NA	NA
+MJ093763	Astragalin; 3''-O-(4-Hydroxy-Z-cinnamoyl), 6''-O-(4-hydroxy-3-methoxy-E-cinnamoyl) 	C40H34O16	770.184685	NA	MeJP	NA	NA
+MJ093764	Astragalin; 3''-O-(4-Hydroxycinnamoyl), 6''-O-(4-hydroxy-3-methoxycinnamoyl) 	C40H34O16	770.184685	NA	MeJP	NA	NA
+MJ093765	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-4-hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside] 	C40H35O16(+)	770.184685	NA	MeJP	NA	NA
+PJ031170	SCCNDDD 	C25H38N8O16S2	770.1847	NA	PeJP	NA	NA
+PJ031171	GGSCCDDD 	C25H38N8O16S2	770.1848	NA	PeJP	NA	NA
+PJ031172	PCCCCNE 	C26H42N8O11S4	770.1856	NA	PeJP	NA	NA
+FL3FAGGS0006	Tricetin 7-glucoside-3'-[6''-(3-hydroxy-3-methylglutaryl)glucoside	C33H38O21	770.19055	151750-87-7	knapsack	NA	NA
+FL3FECGS0046	6-Hydroxyluteolin 6-glucoside-7-[6'''-(3-hydroxy-3-methylglutaryl)glucoside];7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C33H38O21	770.19055	165460-15-1	knapsack	NA	NA
+FL5FAAGL0047	Kaempferol 3-rutinoside-7-glucuronide	C33H38O21	770.19055	135093-73-1	knapsack	NA	NA
+MJ093766	3',4',5,5',7-Pentahydroxyflavone; 7-O-?-D-Glucopyranoside, 3'-O-[6-O-(3-hydroxy-3-methylglutaryl)-?-D-glucopyranoside] 	C33H38O21	770.190558	NA	MeJP	NA	NA
+MJ093767	3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside], 6-O-?-D-glucopyranoside 	C33H38O21	770.190558	NA	MeJP	NA	NA
+MJ093768	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucuronopyranoside 	C33H38O21	770.190558	NA	MeJP	NA	NA
+PJ031173	GPCCCCW 	C30H42N8O8S4	770.2009	NA	PeJP	NA	NA
+PJ031174	GCCNDEM 	C26H42N8O13S3	770.2034	NA	PeJP	NA	NA
+MJ093769	Dethiotetra(methylthio)chetomin 	C35H42N6O6S4	770.204865	NA	MeJP	NA	NA
+FL3FAACS0082	Isovitexin 2''-O-(6'''-feruloyl)glucoside	C37H38O18	770.20581	220948-77-6	knapsack	NA	NA
+FL3FAADS0019	Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate	C37H38O18	770.20581	64763-02-6	knapsack	NA	NA
+FL3FAADS0045	Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside;6'''-Feruloylsaponarin	C37H38O18	770.20581	212271-12-0	knapsack	NA	NA
+FL3FADCS0015	Isoscoparin 2''-(6-(E)-p-coumaroylglucoside)	C37H38O18	770.20581	99445-33-7	knapsack	NA	NA
+FL5FADGA0024	Isorhamnetin 3-(4'''-p-coumarylrobinobioside)	C37H38O18	770.20581	128533-13-1	knapsack	NA	NA
+FL5FADGS0028	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside;Quercetin 3'-methyl ether 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside;3-[[6-Deoxy-2-O-[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C37H38O18	770.20581	402949-94-4	knapsack	NA	NA
+FL5FCAGL0009	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside	C37H38O18	770.20581	148210-00-8	knapsack	NA	NA
+MJ093770	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093771	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093772	5,6,7-Trihydroxy-4'-methoxyflavone; 7-O-[?-D-Mannopyranosyl-(1?2)-6''-O-?-4-hydroxycinnamoyl-?-D-glucopyranoside] 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093773	Isoscoparin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093774	Isovitexin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl), 4'-O-glucopyranoside 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093775	Isovitexin; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093776	Isovitexin; 7-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside] 	C37H38O18	770.205814	NA	MeJP	NA	NA
+MJ093777	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-L-rhamnopyranosyl-(??)-?-D-glucopyranoside] 	C37H39O18(+)	770.205814	NA	MeJP	NA	NA
+MJ093778	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-D-xyloside], 5-O-?-D-glucopyranoside 	C37H39O18(+)	770.205814	NA	MeJP	NA	NA
+MJ093779	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C37H39O18(+)	770.205814	NA	MeJP	NA	NA
+MJ093780	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside]] 	C37H39O18(+)	770.205814	NA	MeJP	NA	NA
+MJ093781	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C37H39O18(+)	770.205814	NA	MeJP	NA	NA
+MJ093782	2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-[2-(3-Methylbutanoyl)-3,4-disulfo-?-D-glucopyranoside] 	C31H46O18S2	770.212556	NA	MeJP	NA	NA
+PJ031175	GCCCDDR 	C25H42N10O12S3	770.2146	NA	PeJP	NA	NA
+PJ031176	CCNDMW 	C30H42N8O10S3	770.2186	NA	PeJP	NA	NA
+PJ031177	SSCNDDM 	C26H42N8O15S2	770.2211	NA	PeJP	NA	NA
+PJ031178	SPCCCQM 	C27H46N8O10S4	770.222	NA	PeJP	NA	NA
+PJ031179	DDDDEY 	C30H38N6O18	770.2243	NA	PeJP	NA	NA
+FL5FABGS0012	Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O20	770.22694	345306-69-6	knapsack	NA	NA
+FL5FADGA0014	Isorhamnetin 3-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]	C34H42O20	770.22694	107656-83-7	knapsack	NA	NA
+FL5FADGA0018	Isorhamnetin 3-robinobioside-7-rhamnoside	C34H42O20	770.22694	107603-09-8	knapsack	NA	NA
+FL5FADGL0019	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside	C34H42O20	770.22694	-	knapsack	NA	NA
+FL5FADGL0022	Typhaneoside	C34H42O20	770.22694	104472-68-6	knapsack	NA	NA
+FL5FADGL0028	Isorhamnetin 3-rutinoside-7-rhamnoside	C34H42O20	770.22694	119945-81-2	knapsack	NA	NA
+FL5FADGL0030	Isorhamnetin 3-rutinoside-4'-rhamnoside	C34H42O20	770.22694	81053-13-6	knapsack	NA	NA
+FL5FAEGL0004	Tamarixetin 3-rutinoside-7-rhamnoside;Quercetin 4'-methyl ether 3-rutinoside-7-rhamnoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O20	770.22694	143491-30-9	knapsack	NA	NA
+FL5FCAGS0011	Kaempferol 7-methyl ether 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C34H42O20	770.22694	446276-95-5	knapsack	NA	NA
+FL5FCCGS0007	Rhamnetin 3-rhamninoside	C34H42O20	770.22694	75183-90-3	knapsack	NA	NA
+MJ093783	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093784	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093785	3,3',5,7-Tetrahydroxy-4'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093786	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1??)-?-L-rhamnopyranosyl-(1??)-?-L-rhamnopyranoside] 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093787	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093788	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside], 7-?-L-rhamnopyranoside 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093789	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2'',6''-Di-O-?-L-rhamnopyranosyl 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093790	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'',6''-Di-O-?-L-rhamnopyranosyl 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093791	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-L-Rhamnopyranoside, 6''-O-?-L-rhamnopyranosyl 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093792	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6'',?''-Di-O-?-L-rhamnopyranosyl 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093793	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093794	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl] 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093795	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-L-rhamnopyranoside 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093796	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-L-rhamnopyranoside 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093797	8-Glucosyl-4',5,7-trihydroxy-3'-methoxyflavone; ?-D-Pyranose-form, O''-Rhamnosylglucoside 	C34H42O20	770.226943	NA	MeJP	NA	NA
+MJ093798	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C34H43O20(+)	770.226943	NA	MeJP	NA	NA
+PJ031180	DDEMMM 	C28H46N6O13S3	770.2285	NA	PeJP	NA	NA
+PJ031181	GSSSCCNN 	C25H42N10O14S2	770.2324	NA	PeJP	NA	NA
+PJ031182	SPCCCCR 	C26H46N10O9S4	770.2332	NA	PeJP	NA	NA
+PJ031183	ACCCWW 	C34H42N8O7S3	770.2339	NA	PeJP	NA	NA
+MJ093799	3,5,7-Trihydroxyflavan(4?8)-3,5,7-trihydroxyflavan(4?8)-3,5,7-trihydroxyflavan 	C45H38O12	770.236326	NA	MeJP	NA	NA
+MJ093800	Gnetuhainin N 	C45H38O12	770.236326	NA	MeJP	NA	NA
+PJ031184	GSSCCEW 	C30H42N8O12S2	770.2364	NA	PeJP	NA	NA
+PJ031185	CCMMHF 	C31H46N8O7S4	770.2373	NA	PeJP	NA	NA
+PJ031186	GSSSSCDE 	C26H42N8O17S	770.2389	NA	PeJP	NA	NA
+PJ031187	GSCNEMM 	C27H46N8O12S3	770.2398	NA	PeJP	NA	NA
+PJ031188	GCCYYY 	C35H42N6O10S2	770.2404	NA	PeJP	NA	NA
+MJ093801	Sucrose; 3',6'-Di-O-cinnamoyl(E,E-), 1',2,4,6-tetra-Ac 	C38H42O17	770.242199	NA	MeJP	NA	NA
+PJ031189	DDDEMF 	C31H42N6O15S	770.2429	NA	PeJP	NA	NA
+PJ031190	GCCNNNF 	C29H42N10O11S2	770.2476	NA	PeJP	NA	NA
+PJ031191	GGGGGGGCCF 	C29H42N10O11S2	770.2477	NA	PeJP	NA	NA
+PJ031192	GSCCDMR 	C26H46N10O11S3	770.251	NA	PeJP	NA	NA
+PJ031193	SSCCWW 	C34H42N8O9S2	770.2516	NA	PeJP	NA	NA
+PJ031194	SSSSCDW 	C30H42N8O14S	770.2541	NA	PeJP	NA	NA
+PJ031195	GGNDDMY 	C30H42N8O14S	770.2542	NA	PeJP	NA	NA
+PJ031196	SCNMMW 	C31H46N8O9S3	770.255	NA	PeJP	NA	NA
+PJ031197	SSSSSSDD 	C26H42N8O19	770.2566	NA	PeJP	NA	NA
+PJ031198	SSSNDMM 	C27H46N8O14S2	770.2575	NA	PeJP	NA	NA
+PJ031199	NNMMMM 	C28H50N8O9S4	770.2584	NA	PeJP	NA	NA
+PJ031200	GSCCQHH 	C28H42N12O10S2	770.2589	NA	PeJP	NA	NA
+PJ031201	SDEEEY 	C31H42N6O17	770.2607	NA	PeJP	NA	NA
+PJ031202	PDDMMY 	C32H46N6O12S2	770.2615	NA	PeJP	NA	NA
+MJ093802	Ecteinascidin 743; 21-Deoxy, 21-cyano 	C40H42N4O10S	770.262164	NA	MeJP	NA	NA
+MJ093803	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-(3,4-Dihydroxy-E-cinnamoyl), 4'-O-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093804	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093805	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093806	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Arabinopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093807	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?2)]-[4-hydroxy-3-methoxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093808	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?6)][4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093809	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?6)][4-hydroxy-3-methoxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093810	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093811	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)]-[3,4-dihydroxyE-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093812	Crassifolioside 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093813	Forsythoside B; 3'-Me ether 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093814	Forsythoside G 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093815	Pedicularioside A; 3''-Me ether 	C35H46O19	770.263329	NA	MeJP	NA	NA
+MJ093816	Purpureaside C; 3'''-Deoxy 	C35H46O19	770.263329	NA	MeJP	NA	NA
+PJ031203	TEEMMM 	C29H50N6O12S3	770.2649	NA	PeJP	NA	NA
+PJ031204	GSCNNNY 	C29H42N10O13S	770.2654	NA	PeJP	NA	NA
+PJ031205	PMMMMM 	C30H54N6O7S5	770.2658	NA	PeJP	NA	NA
+PJ031206	TCCCRW 	C30H46N10O8S3	770.2663	NA	PeJP	NA	NA
+MJ093817	Bisbentiamine 	C38H42N8O6S2	770.266872	NA	MeJP	NA	NA
+PJ031207	SSSCCER 	C26H46N10O13S2	770.2688	NA	PeJP	NA	NA
+PJ031208	GCNEYW 	C34H42N8O11S	770.2694	NA	PeJP	NA	NA
+PJ031209	CCQMMR 	C27H50N10O8S4	770.2696	NA	PeJP	NA	NA
+MJ093818	Yemenimycin 	C41H43ClN4O9	770.271856	NA	MeJP	NA	NA
+PJ031210	GSSNDEY 	C30H42N8O16	770.2719	NA	PeJP	NA	NA
+PJ031211	GSSTCMW 	C31H46N8O11S2	770.2728	NA	PeJP	NA	NA
+PJ031212	GSSSSSEM 	C27H46N8O16S	770.2753	NA	PeJP	NA	NA
+PJ031213	PDDDFY 	C35H42N6O14	770.2759	NA	PeJP	NA	NA
+PJ031214	GSSQMMM 	C28H50N8O11S3	770.2761	NA	PeJP	NA	NA
+PJ031215	GGGSTMMM 	C28H50N8O11S3	770.2762	NA	PeJP	NA	NA
+PJ031216	SSSCNHH 	C28H42N12O12S	770.2766	NA	PeJP	NA	NA
+PJ031217	AEEEMY 	C32H46N6O14S	770.2793	NA	PeJP	NA	NA
+PJ031218	PDMMMF 	C33H50N6O9S3	770.2802	NA	PeJP	NA	NA
+PJ031219	PCNDHW 	C33H42N10O10S	770.2806	NA	PeJP	NA	NA
+PJ031220	CCCMRR 	C26H50N12O7S4	770.2809	NA	PeJP	NA	NA
+PJ031221	NNEEEH 	C29H42N10O15	770.2831	NA	PeJP	NA	NA
+PJ031222	GGNEEEH 	C29H42N10O15	770.2832	NA	PeJP	NA	NA
+PJ031223	VEMMMM 	C30H54N6O9S4	770.2835	NA	PeJP	NA	NA
+PJ031224	CCNEFR 	C30H46N10O10S2	770.284	NA	PeJP	NA	NA
+PJ031225	CNYWW 	C38H42N8O8S	770.2846	NA	PeJP	NA	NA
+PJ031226	GGCYWW 	C38H42N8O8S	770.2847	NA	PeJP	NA	NA
+PJ031227	SSNDYW 	C34H42N8O13	770.2872	NA	PeJP	NA	NA
+PJ031228	GSSCMMR 	C27H50N10O10S3	770.2874	NA	PeJP	NA	NA
+PJ031229	GCQMFW 	C35H46N8O8S2	770.288	NA	PeJP	NA	NA
+PJ031230	SSSSSMW 	C31H46N8O13S	770.2905	NA	PeJP	NA	NA
+PJ031231	GAPPPCDD 	C31H46N8O13S	770.2906	NA	PeJP	NA	NA
+PJ031232	TCCKMW 	C32H50N8O8S3	770.2914	NA	PeJP	NA	NA
+PJ031233	CNNHHF 	C32H42N12O9S	770.2919	NA	PeJP	NA	NA
+PJ031234	SSSSSSTE 	C27H46N8O18	770.293	NA	PeJP	NA	NA
+PJ031235	SSSTQMM 	C28H50N8O13S2	770.2939	NA	PeJP	NA	NA
+PJ031236	NDDDHR 	C28H42N12O14	770.2944	NA	PeJP	NA	NA
+PJ031237	PPCEYY 	C36H46N6O11S	770.2946	NA	PeJP	NA	NA
+PJ031238	CQKMMM 	C29H54N8O8S4	770.2948	NA	PeJP	NA	NA
+PJ031239	GSCCKHH 	C29H46N12O9S2	770.2952	NA	PeJP	NA	NA
+PJ031240	TTEEEY 	C32H46N6O16	770.2971	NA	PeJP	NA	NA
+PJ031241	PTEMMY 	C33H50N6O11S2	770.2979	NA	PeJP	NA	NA
+PJ031242	GNEEHW 	C33H42N10O12	770.2984	NA	PeJP	NA	NA
+PJ031243	GCCFRW 	C34H46N10O7S2	770.2993	NA	PeJP	NA	NA
+PJ031244	SCNERY 	C30H46N10O12S	770.3018	NA	PeJP	NA	NA
+PJ031245	CLMMHH 	C31H50N10O7S3	770.3026	NA	PeJP	NA	NA
+PJ031246	TCHHHH 	C31H42N14O8S	770.3031	NA	PeJP	NA	NA
+PJ031247	SSSTCMR 	C27H50N10O12S2	770.3051	NA	PeJP	NA	NA
+PJ031248	GSQMYW 	C35H46N8O10S	770.3058	NA	PeJP	NA	NA
+PJ031249	CCKMMR 	C28H54N10O7S4	770.306	NA	PeJP	NA	NA
+PJ031250	GSSTQEY 	C31H46N8O15	770.3083	NA	PeJP	NA	NA
+PJ031251	AQQMMY 	C32H50N8O10S2	770.3091	NA	PeJP	NA	NA
+PJ031252	GAAQMMY 	C32H50N8O10S2	770.3092	NA	PeJP	NA	NA
+PJ031253	SNNNHW 	C32H42N12O11	770.3096	NA	PeJP	NA	NA
+PJ031254	GGGGGGSHW 	C32H42N12O11	770.3097	NA	PeJP	NA	NA
+PJ031255	GSSSTTTM 	C28H50N8O15S	770.3117	NA	PeJP	NA	NA
+PJ031256	APEEYY 	C36H46N6O13	770.3123	NA	PeJP	NA	NA
+PJ031257	GSSKMMM 	C29H54N8O10S3	770.3125	NA	PeJP	NA	NA
+PJ031258	GSPCDHR 	C29H46N12O11S	770.313	NA	PeJP	NA	NA
+PJ031259	DQHWW 	C37H42N10O9	770.3136	NA	PeJP	NA	NA
+PJ031260	NEHWW 	C37H42N10O9	770.3137	NA	PeJP	NA	NA
+MJ093819	Antibiotic MA 144 U7; 3''-Deoxy, 4'''-epimer 	C40H50O15	770.31497	NA	MeJP	NA	NA
+MJ093820	Cytorhodin J 	C40H50O15	770.31497	NA	MeJP	NA	NA
+PJ031261	SLEEMY 	C33H50N6O13S	770.3157	NA	PeJP	NA	NA
+PJ031262	PVMMMY 	C34H54N6O8S3	770.3166	NA	PeJP	NA	NA
+PJ031263	GSCRYW 	C34H46N10O9S	770.317	NA	PeJP	NA	NA
+PJ031264	GSSSDRY 	C30H46N10O14	770.3195	NA	PeJP	NA	NA
+PJ031265	GGGGGGSPPE 	C30H46N10O14	770.3196	NA	PeJP	NA	NA
+PJ031266	GNMMRY 	C31H50N10O9S2	770.3204	NA	PeJP	NA	NA
+PJ031267	ACHFFF 	C39H46N8O7S	770.3211	NA	PeJP	NA	NA
+PJ031268	SSTQYW 	C35H46N8O12	770.3235	NA	PeJP	NA	NA
+PJ031269	PPNEEW 	C35H46N8O12	770.3236	NA	PeJP	NA	NA
+PJ031270	CNNQHR 	C28H46N14O10S	770.3242	NA	PeJP	NA	NA
+PJ031271	GGGGCQHR 	C28H46N14O10S	770.3243	NA	PeJP	NA	NA
+PJ031272	GCKMFW 	C36H50N8O7S2	770.3244	NA	PeJP	NA	NA
+PJ031273	SNKEMY 	C32H50N8O12S	770.3269	NA	PeJP	NA	NA
+PJ031274	GHWWW 	C41H42N10O6	770.3289	NA	PeJP	NA	NA
+PJ031275	SSSSTTTT 	C28H50N8O17	770.3294	NA	PeJP	NA	NA
+PJ031276	SSSTKMM 	C29H54N8O12S2	770.3303	NA	PeJP	NA	NA
+PJ031277	ASTNNQH 	C29H46N12O13	770.3307	NA	PeJP	NA	NA
+PJ031278	SNEEHR 	C29H46N12O13	770.3308	NA	PeJP	NA	NA
+PJ031279	PPTMYY 	C37H50N6O10S	770.3309	NA	PeJP	NA	NA
+PJ031280	CKKMMM 	C30H58N8O7S4	770.3312	NA	PeJP	NA	NA
+PJ031281	ACCRRY 	C30H50N12O8S2	770.3316	NA	PeJP	NA	NA
+PJ031282	VVEMMY 	C34H54N6O10S2	770.3343	NA	PeJP	NA	NA
+PJ031283	GDKEHW 	C34H46N10O11	770.3348	NA	PeJP	NA	NA
+PJ031284	GHHHHF 	C35H42N14O7	770.3361	NA	PeJP	NA	NA
+PJ031285	SSQMRY 	C31H50N10O11S	770.3381	NA	PeJP	NA	NA
+PJ031286	GSSVCRY 	C31H50N10O11S	770.3382	NA	PeJP	NA	NA
+PJ031287	GPPEWW 	C39H46N8O9	770.3388	NA	PeJP	NA	NA
+PJ031288	GSSNNHR 	C28H46N14O12	770.342	NA	PeJP	NA	NA
+PJ031289	GSKMYW 	C36H50N8O9S	770.3422	NA	PeJP	NA	NA
+PJ031290	PCCHRR 	C29H50N14O7S2	770.3429	NA	PeJP	NA	NA
+PJ031291	GSSTKEY 	C32H50N8O14	770.3447	NA	PeJP	NA	NA
+PJ031292	AQKMMY 	C33H54N8O9S2	770.3455	NA	PeJP	NA	NA
+PJ031293	GGCLKMY 	C33H54N8O9S2	770.3456	NA	PeJP	NA	NA
+PJ031294	GSEHRW 	C33H46N12O10	770.346	NA	PeJP	NA	NA
+PJ031295	SPLEYY 	C37H50N6O12	770.3487	NA	PeJP	NA	NA
+PJ031296	SSCRRY 	C30H50N12O10S	770.3494	NA	PeJP	NA	NA
+PJ031297	PVMMFF 	C38H54N6O7S2	770.3496	NA	PeJP	NA	NA
+PJ031298	DKHWW 	C38H46N10O8	770.35	NA	PeJP	NA	NA
+PJ031299	GGAPHFW 	C38H46N10O8	770.3501	NA	PeJP	NA	NA
+PJ031300	VLMMMF 	C35H58N6O7S3	770.3529	NA	PeJP	NA	NA
+PJ031301	GLQMHW 	C35H50N10O8S	770.3534	NA	PeJP	NA	NA
+PJ031302	PPWWW 	C43H46N8O6	770.3541	NA	PeJP	NA	NA
+PJ031303	GSSTTRY 	C31H50N10O13	770.3559	NA	PeJP	NA	NA
+MJ093821	Michellamine, 8'''-Me ether 	C47H50N2O8	770.356716	NA	MeJP	NA	NA
+MJ093822	Michellamine, N2-Me 	C47H50N2O8	770.356716	NA	MeJP	NA	NA
+PJ031304	ACKMRY 	C32H54N10O8S2	770.3568	NA	PeJP	NA	NA
+PJ031305	VNQHHH 	C32H46N14O9	770.3573	NA	PeJP	NA	NA
+PJ031306	SSTKYW 	C36H50N8O11	770.3599	NA	PeJP	NA	NA
+PJ031307	GGAPPPEF 	C36H50N8O11	770.36	NA	PeJP	NA	NA
+PJ031308	GDMHRR 	C29H50N14O9S	770.3606	NA	PeJP	NA	NA
+PJ031309	SHRWW 	C37H46N12O7	770.3613	NA	PeJP	NA	NA
+PJ031310	SDKKMY 	C33H54N8O11S	770.3633	NA	PeJP	NA	NA
+MJ093823	RA-V; Me ether 	C41H50N6O9	770.363927	NA	MeJP	NA	NA
+PJ031311	PPTFFY 	C41H50N6O9	770.364	NA	PeJP	NA	NA
+PJ031312	AAMHRW 	C34H50N12O7S	770.3647	NA	PeJP	NA	NA
+PJ031313	SDKEHR 	C30H50N12O12	770.3671	NA	PeJP	NA	NA
+PJ031314	GSSVEHR 	C30H50N12O12	770.3672	NA	PeJP	NA	NA
+PJ031315	PVVMYY 	C38H54N6O9S	770.3673	NA	PeJP	NA	NA
+PJ031316	PCKMHR 	C31H54N12O7S2	770.368	NA	PeJP	NA	NA
+PJ031317	GQHHHR 	C31H46N16O8	770.3685	NA	PeJP	NA	NA
+PJ031318	TLLMMY 	C35H58N6O9S2	770.3707	NA	PeJP	NA	NA
+PJ031319	SPPERW 	C35H50N10O10	770.3712	NA	PeJP	NA	NA
+MJ093824	1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C38H58O16	770.372485	NA	MeJP	NA	NA
+7702	ACE inhibitor from human plasma	YLYEIA	770.373	antioxidative	Inhouse_peptide	NA	peptide
+PJ031320	SSKMRY 	C32H54N10O10S	770.3745	NA	PeJP	NA	NA
+PJ031321	GPPVDMR 	C32H54N10O10S	770.3746	NA	PeJP	NA	NA
+PJ031322	SPPVWW 	C40H50N8O8	770.3752	NA	PeJP	NA	NA
+PJ031323	SSEHRR 	C29H50N14O11	770.3784	NA	PeJP	NA	NA
+PJ031324	PPLQMW 	C37H54N8O8S	770.3786	NA	PeJP	NA	NA
+PJ031325	SSSSLKY 	C33H54N8O13	770.381	NA	PeJP	NA	NA
+PJ031326	GTTTTKY 	C33H54N8O13	770.3811	NA	PeJP	NA	NA
+PJ031327	AKKMMY 	C34H58N8O8S2	770.3819	NA	PeJP	NA	NA
+PJ031328	ATTHRW 	C34H50N12O9	770.3824	NA	PeJP	NA	NA
+PJ031329	ALLEYY 	C38H54N6O11	770.3851	NA	PeJP	NA	NA
+PJ031330	PPDMRR 	C31H54N12O9S	770.3858	NA	PeJP	NA	NA
+PJ031331	GPKHFW 	C39H50N10O7	770.3864	NA	PeJP	NA	NA
+PJ031332	PPCLRW 	C36H54N10O7S	770.3898	NA	PeJP	NA	NA
+PJ031333	PLQEER 	C32H54N10O12	770.3923	NA	PeJP	NA	NA
+PJ031334	PKKMMH 	C33H58N10O7S2	770.3932	NA	PeJP	NA	NA
+PJ031335	PPQHHR 	C33H50N14O8	770.3936	NA	PeJP	NA	NA
+PJ031336	GAPPHHR 	C33H50N14O8	770.3937	NA	PeJP	NA	NA
+PJ031337	PVLQEW 	C37H54N8O10	770.3963	NA	PeJP	NA	NA
+PJ031338	ATMHRR 	C30H54N14O8S	770.397	NA	PeJP	NA	NA
+PJ031339	TTKKMY 	C34H58N8O10S	770.3997	NA	PeJP	NA	NA
+PJ031340	PVVFFY 	C42H54N6O8	770.4003	NA	PeJP	NA	NA
+PJ031341	PVDERR 	C31H54N12O11	770.4035	NA	PeJP	NA	NA
+PJ031342	GGGAPKER 	C31H54N12O11	770.4036	NA	PeJP	NA	NA
+PJ031343	VVLMFY 	C39H58N6O8S	770.4037	NA	PeJP	NA	NA
+PJ031344	GKHHHR 	C32H50N16O7	770.4049	NA	PeJP	NA	NA
+PJ031345	VTTKHW 	C36H54N10O9	770.4075	NA	PeJP	NA	NA
+PJ031346	APLERW 	C36H54N10O9	770.4076	NA	PeJP	NA	NA
+MJ093825	3,15,23-Trihydroxyspirostan-26-one, 3-O-Neohesperidoside 	C39H62O15	770.408871	NA	MeJP	NA	NA
+MJ093826	Spirost-5-ene-3,15,23-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H62O15	770.408871	NA	MeJP	NA	NA
+C17922	Scopoloside II	C39H62O15	770.4089	NA	KEGG	NA	NA
+MJ093827	14,15-Epoxy-3,5,16-trihydroxybufa-20,22-dienolide, 3-(Arginylpimeloyl), 16-Ac 	C40H58N4O11	770.410208	NA	MeJP	NA	NA
+PJ031347	GPPTLMR 	C33H58N10O9S	770.4109	NA	PeJP	NA	NA
+PJ031348	GPLLWW 	C41H54N8O7	770.4116	NA	PeJP	NA	NA
+PJ031349	TTTHRR 	C30H54N14O10	770.4148	NA	PeJP	NA	NA
+PJ031350	PPLKMW 	C38H58N8O7S	770.415	NA	PeJP	NA	NA
+PJ031351	SPPTLKE 	C34H58N8O12	770.4174	NA	PeJP	NA	NA
+PJ031352	GPVLKEE 	C34H58N8O12	770.4175	NA	PeJP	NA	NA
+PJ031353	GPQKRW 	C35H54N12O8	770.4188	NA	PeJP	NA	NA
+PJ031354	SLLLYY 	C39H58N6O10	770.4215	NA	PeJP	NA	NA
+PJ031355	SLKMHR 	C32H58N12O8S	770.4222	NA	PeJP	NA	NA
+MJ093828	Antibiotic VM 44866; 13?,23?-Bis(2-methylpropanoyloxy), 5-Me ether 	C43H62O12	770.424127	NA	MeJP	NA	NA
+PJ031356	PLKEER 	C33H58N10O11	770.4287	NA	PeJP	NA	NA
+PJ031357	GVHFRR 	C34H54N14O7	770.43	NA	PeJP	NA	NA
+PJ031358	PVLKEW 	C38H58N8O9	770.4327	NA	PeJP	NA	NA
+PJ031359	SPPVLKM 	C35H62N8O9S	770.4361	NA	PeJP	NA	NA
+PJ031360	VVLFFF 	C43H58N6O7	770.4367	NA	PeJP	NA	NA
+PJ031361	PTLERR 	C32H58N12O10	770.4399	NA	PeJP	NA	NA
+PJ031362	HFRRR 	C33H54N16O6	770.4413	NA	PeJP	NA	NA
+PJ031363	SPLLRW 	C37H58N10O8	770.4439	NA	PeJP	NA	NA
+PJ031364	GGPVKKW 	C37H58N10O8	770.444	NA	PeJP	NA	NA
+MJ093829	3,5-Cyclofurostane-1,6,22,26-tetrol, 1-O-?-D-Fucopyranoside, 26-O-?-D-glucopyranoside, 6-Me ether 	C40H66O14	770.445256	NA	MeJP	NA	NA
+MJ093830	Furost-5-ene-3,22,26-triol, 22-Me ether, 3,26-di-O-?-D-glucopyranoside 	C40H66O14	770.445256	NA	MeJP	NA	NA
+MJ093831	Furostane-3,6,22,26-tetrol, 3-Ketone, 22-Me ether, 6-O-(6-deoxy-?-D-glucopyranoside), 26-O-?-glucopyranoside 	C40H66O14	770.445256	NA	MeJP	NA	NA
+PJ031365	AAPLLMR 	C34H62N10O8S	770.4473	NA	PeJP	NA	NA
+PJ031366	SPQKRR 	C31H58N14O9	770.4512	NA	PeJP	NA	NA
+PJ031367	APTLLKE 	C35H62N8O11	770.4538	NA	PeJP	NA	NA
+PJ031368	GGGLLLLE 	C35H62N8O11	770.4539	NA	PeJP	NA	NA
+PJ031369	GPKKRW 	C36H58N12O7	770.4552	NA	PeJP	NA	NA
+PJ031370	CKKKKH 	C33H62N12O7S	770.4585	NA	PeJP	NA	NA
+PJ031371	PVLMRR 	C33H62N12O7S	770.4586	NA	PeJP	NA	NA
+PJ031372	GVQRRR 	C30H58N16O8	770.4624	NA	PeJP	NA	NA
+PJ031373	LLLQER 	C34H62N10O10	770.4651	NA	PeJP	NA	NA
+PJ031374	VLLLQW 	C39H62N8O8	770.4691	NA	PeJP	NA	NA
+PJ031375	GPLLLKM 	C36H66N8O8S	770.4725	NA	PeJP	NA	NA
+PJ031376	QRRRR 	C29H58N18O7	770.4736	NA	PeJP	NA	NA
+PJ031377	VVLERR 	C33H62N12O9	770.4763	NA	PeJP	NA	NA
+PJ031378	ALLLRW 	C38H62N10O7	770.4803	NA	PeJP	NA	NA
+MJ093832	8,16,18,26,34,36-Hexahydroxy-2,6,10,14,24,28,32-hentetracontaneheptone 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093833	Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 24-O-?-D-xylopyranoside 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093834	Dammar-24-ene-3,12,20,26-tetrol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093835	Dammar-24-ene-3,6,12,20-tetrol, 20-O-[?-L-Arabinofuranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093836	Dammar-24-ene-3,6,12,20-tetrol, 20-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093837	Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Xylopyranoside, 20-O-?-D-glucopyranoside 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093838	Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H70O13	770.481642	NA	MeJP	NA	NA
+MJ093839	Ossamycin; Aglycone 	C41H70O13	770.481642	NA	MeJP	NA	NA
+PJ031379	SPKKRR 	C32H62N14O8	770.4875	NA	PeJP	NA	NA
+PJ031380	GGVVKRR 	C32H62N14O8	770.4876	NA	PeJP	NA	NA
+PJ031381	GVLLLKE 	C36H66N8O10	770.4902	NA	PeJP	NA	NA
+MJ093840	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(6Z,9Z,12Z,15Z-octadecatetraenoate), 3-O-?-D-Galactopyranoside (2R-) 	C45H70O10	770.496898	NA	MeJP	NA	NA
+PJ031382	GVKRRR 	C31H62N16O7	770.4988	NA	PeJP	NA	NA
+PJ031383	LLLKER 	C35H66N10O9	770.5015	NA	PeJP	NA	NA
+PJ031384	VLLLKW 	C40H66N8O7	770.5055	NA	PeJP	NA	NA
+HMDB10580	PG(16:0/20:4(5Z,8Z,11Z,14Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10593	PG(16:1(9Z)/20:3(5Z,8Z,11Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10594	PG(16:1(9Z)/20:3(8Z,11Z,14Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10621	PG(18:1(11Z)/18:3(6Z,9Z,12Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10622	PG(18:1(11Z)/18:3(9Z,12Z,15Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10636	PG(18:1(9Z)/18:3(6Z,9Z,12Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10637	PG(18:1(9Z)/18:3(9Z,12Z,15Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10650	PG(18:2(9Z,12Z)/18:2(9Z,12Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10663	PG(18:3(6Z,9Z,12Z)/18:1(11Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10664	PG(18:3(6Z,9Z,12Z)/18:1(9Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10678	PG(18:3(9Z,12Z,15Z)/18:1(11Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+HMDB10679	PG(18:3(9Z,12Z,15Z)/18:1(9Z))	C42H75O10P	770.509766	NA	HMDB2010	NA	NA
+PJ031385	KRRRR 	C30H62N18O6	770.51	NA	PeJP	NA	NA
+PJ031386	TLLLRR 	C34H66N12O8	770.5127	NA	PeJP	NA	NA
+PJ031387	ALKKRR 	C33H66N14O7	770.5239	NA	PeJP	NA	NA
+PJ031388	ATLLLLK 	C37H70N8O9	770.5266	NA	PeJP	NA	NA
+PJ031389	AALLKKK 	C36H70N10O8	770.5378	NA	PeJP	NA	NA
+PJ031390	VLKKKR 	C35H70N12O7	770.5491	NA	PeJP	NA	NA
+EUR1087	SM(d18:1/18:3) [M+FA-H]-	C41H77N2O6P	770.556806	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1087	SM(d18:1/18:3) [M+FA-H]-	C41H77N2O6P	770.556806	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1087	SM(d18:1/18:3) [M+FA-H]-	C41H77N2O6P	770.556806	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1087	SM(d18:1/18:3) [M+FA-H]-	C41H77N2O6P	770.556806	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093841	2-(3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonenyl)-1,4-benzoquinone 	C55H78O2	770.600181	NA	MeJP	NA	NA
+MJ093842	Manzamenone A; Et ester 	C48H82O7	770.606054	NA	MeJP	NA	NA
+MJ093843	Manzamenone G 	C48H82O7	770.606054	NA	MeJP	NA	NA
+MJ093844	Glisoprenin D; 6,7-Dihydro, 6,7-dihydroxy 	C45H86O9	770.627184	NA	MeJP	NA	NA
+EUR1106	SM(d18:1/22:1) [M-H-CH3]-	C45H89N2O6P	770.630176	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1106	SM(d18:1/22:1) [M-H-CH3]-	C45H89N2O6P	770.630176	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1106	SM(d18:1/22:1) [M-H-CH3]-	C45H89N2O6P	770.630176	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1106	SM(d18:1/22:1) [M-H-CH3]-	C45H89N2O6P	770.630176	masses lipides attendues	Inhousejuil11	NA	NA
+C17160	Fistularin 1	C22H21Br4N3O8	770.8062	NA	KEGG	NA	NA
+C17161	Fistularin 2	C22H21Br4N3O8	770.8062	NA	KEGG	NA	NA
+MJ093845	Araplysillin I; 19-Hydroxy, N20-Ac 	C23H25Br4N3O7	770.8426	NA	MeJP	NA	NA
+PJ031391	TCCCCCH 	C25H41N9O9S5	771.1631	NA	PeJP	NA	NA
+PJ031392	SCCDDDD 	C25H37N7O17S2	771.1688	NA	PeJP	NA	NA
+PJ031393	PCCCCDE 	C26H41N7O12S4	771.1696	NA	PeJP	NA	NA
+MJ093846	Cadystin A 	C26H41N7O14S3	771.187361	NA	MeJP	NA	NA
+PJ031394	GCCDDEM 	C26H41N7O14S3	771.1874	NA	PeJP	NA	NA
+PJ031395	GCCCCHF 	C29H41N9O8S4	771.1961	NA	PeJP	NA	NA
+PJ031396	SCCCNNE 	C25H41N9O13S3	771.1986	NA	PeJP	NA	NA
+PJ031397	CCDDMW 	C30H41N7O11S3	771.2026	NA	PeJP	NA	NA
+PJ031398	SSCCDEE 	C26H41N7O16S2	771.2051	NA	PeJP	NA	NA
+PJ031399	SSCDDDM 	C26H41N7O16S2	771.2052	NA	PeJP	NA	NA
+PJ031400	SPCCCEM 	C27H45N7O11S4	771.206	NA	PeJP	NA	NA
+FL7AAAGL0030	Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside	C37H39O18	771.21363	168647-43-6	knapsack	NA	NA
+FL7AADGL0019	Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside	C37H39O18	771.21363	51939-65-2	knapsack	NA	NA
+FL7AAHGL0012	Petunidin 3-(4'''-p-coumarylrutinoside)	C37H39O18	771.21363	69896-02-2	knapsack	NA	NA
+PJ031401	GSCCCNW 	C29H41N9O10S3	771.2139	NA	PeJP	NA	NA
+PJ031402	GSSSCCND 	C25H41N9O15S2	771.2164	NA	PeJP	NA	NA
+PJ031403	GCCNNMM 	C26H45N9O10S4	771.2172	NA	PeJP	NA	NA
+PJ031404	GGGCCNMM 	C26H45N9O10S4	771.2173	NA	PeJP	NA	NA
+PJ031405	GPCCDDY 	C30H41N7O13S2	771.2204	NA	PeJP	NA	NA
+PJ031406	PPCCCCF 	C31H45N7O8S4	771.2213	NA	PeJP	NA	NA
+PJ031407	GSCDEMM 	C27H45N7O13S3	771.2238	NA	PeJP	NA	NA
+PJ031408	GPCCMMM 	C28H49N7O8S5	771.2246	NA	PeJP	NA	NA
+PJ031409	PCCCCLM 	C28H49N7O8S5	771.2247	NA	PeJP	NA	NA
+PJ031410	GCCCCQR 	C25H45N11O9S4	771.2285	NA	PeJP	NA	NA
+PJ031411	GCCNNDF 	C29H41N9O12S2	771.2316	NA	PeJP	NA	NA
+PJ031412	GGGCCNDF 	C29H41N9O12S2	771.2317	NA	PeJP	NA	NA
+FL7AADGL0010	Peonidin 3-rutinoside-5-glucoside	C34H43O20	771.23476	39824-85-6	knapsack	NA	NA
+PJ031413	SSCCNQM 	C26H45N9O12S3	771.235	NA	PeJP	NA	NA
+PJ031414	NDDDMY 	C30H41N7O15S	771.2382	NA	PeJP	NA	NA
+PJ031415	SCDMMW 	C31H45N7O10S3	771.239	NA	PeJP	NA	NA
+PJ031416	SSSDDMM 	C27H45N7O15S2	771.2415	NA	PeJP	NA	NA
+PJ031417	NDMMMM 	C28H49N7O10S4	771.2424	NA	PeJP	NA	NA
+PJ031418	GSCCEHH 	C28H41N11O11S2	771.2429	NA	PeJP	NA	NA
+PJ031419	SSCCCNR 	C25H45N11O11S3	771.2462	NA	PeJP	NA	NA
+PJ031420	GGSSCCCR 	C25H45N11O11S3	771.2463	NA	PeJP	NA	NA
+PJ031421	GSCNNDY 	C29H41N9O14S	771.2494	NA	PeJP	NA	NA
+PJ031422	GSSSSCNM 	C26H45N9O14S2	771.2528	NA	PeJP	NA	NA
+PJ031423	GCDEYW 	C34H41N7O12S	771.2534	NA	PeJP	NA	NA
+PJ031424	CCEMMR 	C27H49N9O9S4	771.2536	NA	PeJP	NA	NA
+PJ031425	GGACCCKM 	C27H49N9O9S4	771.2537	NA	PeJP	NA	NA
+PJ031426	GSSDDEY 	C30H41N7O17	771.2559	NA	PeJP	NA	NA
+PJ031427	GSPCDMY 	C31H45N7O12S2	771.2568	NA	PeJP	NA	NA
+PJ031428	ACMMMW 	C32H49N7O7S4	771.2577	NA	PeJP	NA	NA
+PJ031429	SCCHHW 	C32H41N11O8S2	771.2581	NA	PeJP	NA	NA
+PJ031430	GSSEMMM 	C28H49N7O12S3	771.2602	NA	PeJP	NA	NA
+PJ031431	SSSCDHH 	C28H41N11O13S	771.2606	NA	PeJP	NA	NA
+PJ031432	CNMMHH 	C29H45N11O8S3	771.2615	NA	PeJP	NA	NA
+PJ031433	PCDDHW 	C33H41N9O11S	771.2647	NA	PeJP	NA	NA
+PJ031434	GCCCCKR 	C26H49N11O8S4	771.2649	NA	PeJP	NA	NA
+PJ031435	NDEEEH 	C29H41N9O16	771.2672	NA	PeJP	NA	NA
+PJ031436	CNNQMY 	C30H45N9O11S2	771.268	NA	PeJP	NA	NA
+PJ031437	CDYWW 	C38H41N7O9S	771.2687	NA	PeJP	NA	NA
+PJ031438	SSSSSSCQ 	C26H45N9O16S	771.2705	NA	PeJP	NA	NA
+PJ031439	SSDDYW 	C34H41N7O14	771.2712	NA	PeJP	NA	NA
+PJ031440	SSCCNKM 	C27H49N9O11S3	771.2714	NA	PeJP	NA	NA
+PJ031441	GCNNNNH 	C27H41N13O12S	771.2719	NA	PeJP	NA	NA
+PJ031442	PTCCYW 	C35H45N7O9S2	771.272	NA	PeJP	NA	NA
+PJ031443	GCEMFW 	C35H45N7O9S2	771.2721	NA	PeJP	NA	NA
+MJ093847	Antibiotic A 2121; Antibiotic A 2121-1, 4C,12a-Bis-O-deglycosyl 	C38H45NO16	771.273834	NA	MeJP	NA	NA
+PJ031444	SNEEMY 	C31H45N7O14S	771.2745	NA	PeJP	NA	NA
+PJ031445	GGSEEMY 	C31H45N7O14S	771.2746	NA	PeJP	NA	NA
+PJ031446	SSMMMW 	C32H49N7O9S3	771.2754	NA	PeJP	NA	NA
+PJ031447	CNDHHF 	C32H41N11O10S	771.2759	NA	PeJP	NA	NA
+PJ031448	SSSTEMM 	C28H49N7O14S2	771.2779	NA	PeJP	NA	NA
+PJ031449	DDDDHR 	C28H41N11O15	771.2784	NA	PeJP	NA	NA
+PJ031450	TQMMMM 	C29H53N7O9S4	771.2788	NA	PeJP	NA	NA
+PJ031451	CCNNRY 	C29H45N11O10S2	771.2793	NA	PeJP	NA	NA
+PJ031452	GDEEHW 	C33H41N9O13	771.2824	NA	PeJP	NA	NA
+PJ031453	SCDERY 	C30H45N9O13S	771.2858	NA	PeJP	NA	NA
+PJ031454	PCCMRY 	C31H49N9O8S3	771.2867	NA	PeJP	NA	NA
+PJ031455	CMFWW 	C39H45N7O6S2	771.2873	NA	PeJP	NA	NA
+PJ031456	GSSSSSSSS 	C26H45N9O18	771.2883	NA	PeJP	NA	NA
+PJ031457	ASSSSCCK 	C27H49N9O13S2	771.2891	NA	PeJP	NA	NA
+PJ031458	GSSSTCCK 	C27H49N9O13S2	771.2892	NA	PeJP	NA	NA
+PJ031459	GSEMYW 	C35H45N7O11S	771.2898	NA	PeJP	NA	NA
+PJ031460	TCMMMR 	C28H53N9O8S4	771.29	NA	PeJP	NA	NA
+PJ031461	GSSTEEY 	C31H45N7O16	771.2923	NA	PeJP	NA	NA
+PJ031462	AQEMMY 	C32H49N7O11S2	771.2932	NA	PeJP	NA	NA
+PJ031463	SNNDHW 	C32H41N11O12	771.2936	NA	PeJP	NA	NA
+PJ031464	GGSNDHW 	C32H41N11O12	771.2937	NA	PeJP	NA	NA
+MJ093848	Phyllanthusol B 	C35H49NO18	771.294963	NA	MeJP	NA	NA
+PJ031465	GTTTMMM 	C29H53N7O11S3	771.2965	NA	PeJP	NA	NA
+PJ031466	SSSSMHH 	C29H45N11O12S	771.297	NA	PeJP	NA	NA
+PJ031467	GGGGGGGGPPC 	C29H45N11O12S	771.2971	NA	PeJP	NA	NA
+PJ031468	DEHWW 	C37H41N9O10	771.2977	NA	PeJP	NA	NA
+PJ031469	SPDMHW 	C34H45N9O10S	771.301	NA	PeJP	NA	NA
+PJ031470	GGGGCQFF 	C34H45N9O10S	771.3011	NA	PeJP	NA	NA
+PJ031471	SSSSNQY 	C30H45N9O15	771.3035	NA	PeJP	NA	NA
+PJ031472	GATEEEH 	C30H45N9O15	771.3036	NA	PeJP	NA	NA
+PJ031473	GDMMRY 	C31H49N9O10S2	771.3044	NA	PeJP	NA	NA
+PJ031474	SMYWW 	C39H45N7O8S	771.305	NA	PeJP	NA	NA
+PJ031475	GPCFYW 	C39H45N7O8S	771.3051	NA	PeJP	NA	NA
+PJ031476	SSSSSSCK 	C27H49N9O15S	771.3069	NA	PeJP	NA	NA
+PJ031477	SSTEYW 	C35H45N7O13	771.3076	NA	PeJP	NA	NA
+PJ031478	STCCCKK 	C28H53N9O10S3	771.3078	NA	PeJP	NA	NA
+PJ031479	CNNEHR 	C28H45N13O11S	771.3083	NA	PeJP	NA	NA
+PJ031480	AAMMYW 	C36H49N7O8S2	771.3084	NA	PeJP	NA	NA
+PJ031481	SDKEMY 	C32H49N7O13S	771.3109	NA	PeJP	NA	NA
+PJ031482	TYYYY 	C40H45N5O11	771.3116	NA	PeJP	NA	NA
+PJ031483	PCKMMY 	C33H53N7O8S3	771.3118	NA	PeJP	NA	NA
+PJ031484	GNQMHW 	C33H45N11O9S	771.3123	NA	PeJP	NA	NA
+PJ031485	STTTTMM 	C29H53N7O13S2	771.3143	NA	PeJP	NA	NA
+PJ031486	SDEEHR 	C29H45N11O14	771.3148	NA	PeJP	NA	NA
+PJ031487	TKMMMM 	C30H57N7O8S4	771.3152	NA	PeJP	NA	NA
+PJ031488	GPCCQKH 	C30H49N11O9S2	771.3156	NA	PeJP	NA	NA
+PJ031489	PCEMHR 	C30H49N11O9S2	771.3157	NA	PeJP	NA	NA
+PJ031490	NNNHHH 	C30H41N15O10	771.3161	NA	PeJP	NA	NA
+PJ031491	ATEEHW 	C34H45N9O12	771.3188	NA	PeJP	NA	NA
+PJ031492	APMMHW 	C35H49N9O7S2	771.3197	NA	PeJP	NA	NA
+PJ031493	SSEMRY 	C31H49N9O12S	771.3222	NA	PeJP	NA	NA
+PJ031494	GSPYYW 	C39H45N7O10	771.3228	NA	PeJP	NA	NA
+PJ031495	GMMMFR 	C32H53N9O7S3	771.323	NA	PeJP	NA	NA
+PJ031496	GCNHRW 	C32H45N13O8S	771.3235	NA	PeJP	NA	NA
+PJ031497	GSSNDHR 	C28H45N13O13	771.326	NA	PeJP	NA	NA
+PJ031498	ATTMYW 	C36H49N7O10S	771.3262	NA	PeJP	NA	NA
+PJ031499	SSSSLEY 	C32H49N7O15	771.3287	NA	PeJP	NA	NA
+PJ031500	SLQMMY 	C33H53N7O10S2	771.3295	NA	PeJP	NA	NA
+PJ031501	AKEMMY 	C33H53N7O10S2	771.3296	NA	PeJP	NA	NA
+PJ031502	SSQQHW 	C33H45N11O11	771.33	NA	PeJP	NA	NA
+PJ031503	GGGGGGPQW 	C33H45N11O11	771.3301	NA	PeJP	NA	NA
+PJ031504	AEEMHR 	C30H49N11O11S	771.3334	NA	PeJP	NA	NA
+PJ031505	GPEHFW 	C38H45N9O9	771.3341	NA	PeJP	NA	NA
+PJ031506	GLEMHW 	C35H49N9O9S	771.3374	NA	PeJP	NA	NA
+PJ031507	AFYWW 	C43H45N7O7	771.3381	NA	PeJP	NA	NA
+PJ031508	SSSSNKY 	C31H49N9O14	771.3399	NA	PeJP	NA	NA
+PJ031509	GGGGGPLEE 	C31H49N9O14	771.34	NA	PeJP	NA	NA
+PJ031510	ATMMRY 	C32H53N9O9S2	771.3408	NA	PeJP	NA	NA
+PJ031511	VNEHHH 	C32H45N13O10	771.3413	NA	PeJP	NA	NA
+PJ031512	AAMFFW 	C40H49N7O7S	771.3414	NA	PeJP	NA	NA
+PJ031513	GCLFFW 	C40H49N7O7S	771.3415	NA	PeJP	NA	NA
+3217	casoxin (fr,33-38 of bovine kappa-casein)	SRYPSY	771.343	celiac toxic	Inhouse_peptide	NA	peptide
+PJ031514	TTTTYW 	C36H49N7O12	771.3439	NA	PeJP	NA	NA
+PJ031515	GGSLEFY 	C36H49N7O12	771.344	NA	PeJP	NA	NA
+PJ031516	SNQMHR 	C29H49N13O10S	771.3446	NA	PeJP	NA	NA
+PJ031517	GGGGTMHR 	C29H49N13O10S	771.3447	NA	PeJP	NA	NA
+PJ031518	PCKMFF 	C37H53N7O7S2	771.3448	NA	PeJP	NA	NA
+PJ031519	GQHHFF 	C37H45N11O8	771.3453	NA	PeJP	NA	NA
+MJ093849	Antibiotic K 502; Antibiotic K 502-8 	C40H53NO14	771.346605	NA	MeJP	NA	NA
+MJ093850	Cosmomycin B 	C40H53NO14	771.346605	NA	MeJP	NA	NA
+MJ093851	Cytorhodin A; 7-Deglycosyl 	C40H53NO14	771.346605	NA	MeJP	NA	NA
+PJ031520	TTKEMY 	C33H53N7O12S	771.3473	NA	PeJP	NA	NA
+PJ031521	CLKMMF 	C34H57N7O7S3	771.3482	NA	PeJP	NA	NA
+PJ031522	PPCNRW 	C34H49N11O8S	771.3487	NA	PeJP	NA	NA
+PJ031523	PHFWW 	C42H45N9O6	771.3493	NA	PeJP	NA	NA
+PJ031524	SSSLNQH 	C30H49N11O13	771.3511	NA	PeJP	NA	NA
+PJ031525	TTEEHR 	C30H49N11O13	771.3512	NA	PeJP	NA	NA
+PJ031526	PTMMHR 	C31H53N11O8S2	771.352	NA	PeJP	NA	NA
+PJ031527	GEHHHR 	C31H45N15O9	771.3525	NA	PeJP	NA	NA
+PJ031528	LMHWW 	C39H49N9O6S	771.3527	NA	PeJP	NA	NA
+PJ031529	STLEHW 	C35H49N9O11	771.3552	NA	PeJP	NA	NA
+PJ031530	SCNHRR 	C28H49N15O9S	771.3559	NA	PeJP	NA	NA
+PJ031531	GVHHHW 	C36H45N13O7	771.3565	NA	PeJP	NA	NA
+PJ031532	TTTMRY 	C32H53N9O11S	771.3585	NA	PeJP	NA	NA
+PJ031533	GSSCKKY 	C32H53N9O11S	771.3586	NA	PeJP	NA	NA
+PJ031534	LQYYW 	C40H49N7O9	771.3592	NA	PeJP	NA	NA
+PJ031535	PNDDRR 	C29H49N13O12	771.3624	NA	PeJP	NA	NA
+PJ031536	PPLEMW 	C37H53N7O9S	771.3626	NA	PeJP	NA	NA
+PJ031537	SSTTTLY 	C33H53N7O14	771.3651	NA	PeJP	NA	NA
+PJ031538	SLKMMY 	C34H57N7O9S2	771.3659	NA	PeJP	NA	NA
+PJ031539	PPPVTMM 	C34H57N7O9S2	771.366	NA	PeJP	NA	NA
+PJ031540	GPQERW 	C34H49N11O10	771.3664	NA	PeJP	NA	NA
+PJ031541	HHHRW 	C35H45N15O6	771.3678	NA	PeJP	NA	NA
+PJ031542	SLEMHR 	C31H53N11O10S	771.3698	NA	PeJP	NA	NA
+PJ031543	GPVQWW 	C39H49N9O8	771.3704	NA	PeJP	NA	NA
+PJ031544	SVLMHW 	C36H53N9O8S	771.3738	NA	PeJP	NA	NA
+MJ093852	Microginin 91C; 10,10-Dichloro 	C37H59Cl2N5O8	771.374069	NA	MeJP	NA	NA
+PJ031545	PLEEER 	C32H53N9O13	771.3763	NA	PeJP	NA	NA
+PJ031546	CCKKKY 	C33H57N9O8S2	771.3772	NA	PeJP	NA	NA
+PJ031547	ANQHFR 	C33H49N13O9	771.3776	NA	PeJP	NA	NA
+PJ031548	GQQHFR 	C33H49N13O9	771.3777	NA	PeJP	NA	NA
+PJ031549	PVLEEW 	C37H53N7O11	771.3803	NA	PeJP	NA	NA
+PJ031550	GSPPCRR 	C30H53N13O9S	771.381	NA	PeJP	NA	NA
+PJ031551	PQRWW 	C38H49N11O7	771.3817	NA	PeJP	NA	NA
+PJ031552	SPPVLEM 	C34H57N7O11S	771.3837	NA	PeJP	NA	NA
+PJ031553	ACKKHW 	C35H53N11O7S	771.385	NA	PeJP	NA	NA
+PJ031554	PCLHFR 	C35H53N11O7S	771.3851	NA	PeJP	NA	NA
+PJ031555	PNKEER 	C31H53N11O12	771.3875	NA	PeJP	NA	NA
+PJ031556	GGPKEER 	C31H53N11O12	771.3876	NA	PeJP	NA	NA
+PJ031557	VVMMHR 	C32H57N11O7S2	771.3884	NA	PeJP	NA	NA
+PJ031558	SVHHHR 	C32H49N15O8	771.3889	NA	PeJP	NA	NA
+PJ031559	PVNKEW 	C36H53N9O10	771.3916	NA	PeJP	NA	NA
+PJ031560	GTTLLMH 	C33H57N9O10S	771.3949	NA	PeJP	NA	NA
+PJ031561	GPPDKKM 	C33H57N9O10S	771.395	NA	PeJP	NA	NA
+PJ031562	LKYYW 	C41H53N7O8	771.3956	NA	PeJP	NA	NA
+MJ093853	Microginin 99A 	C40H58ClN5O8	771.397391	NA	MeJP	NA	NA
+PJ031563	SPQERR 	C30H53N13O11	771.3988	NA	PeJP	NA	NA
+PJ031564	ALKMFY 	C38H57N7O8S	771.399	NA	PeJP	NA	NA
+PJ031565	APTLLEE 	C34H57N7O13	771.4015	NA	PeJP	NA	NA
+PJ031566	APPLLMM 	C35H61N7O8S2	771.4023	NA	PeJP	NA	NA
+PJ031567	GPKERW 	C35H53N11O9	771.4028	NA	PeJP	NA	NA
+PJ031568	GSPPKMR 	C32H57N11O9S	771.4062	NA	PeJP	NA	NA
+PJ031569	GPVKWW 	C40H53N9O7	771.4068	NA	PeJP	NA	NA
+PJ031570	GQQQRR 	C29H53N15O10	771.41	NA	PeJP	NA	NA
+PJ031571	PLKMHF 	C37H57N9O7S	771.4102	NA	PeJP	NA	NA
+PJ031572	STTTLLH 	C33H57N9O12	771.4127	NA	PeJP	NA	NA
+PJ031573	LLKMMH 	C34H61N9O7S2	771.4136	NA	PeJP	NA	NA
+PJ031574	GPTRRW 	C34H53N13O8	771.414	NA	PeJP	NA	NA
+PJ031575	GGAKHFR 	C34H53N13O8	771.4141	NA	PeJP	NA	NA
+PJ031576	SVLKYY 	C38H57N7O10	771.4167	NA	PeJP	NA	NA
+PJ031577	PVNMRR 	C31H57N13O8S	771.4174	NA	PeJP	NA	NA
+PJ031578	PKRWW 	C39H53N11O6	771.4181	NA	PeJP	NA	NA
+PJ031579	GPLLLEM 	C35H61N7O10S	771.4201	NA	PeJP	NA	NA
+PJ031580	GNNRRR 	C28H53N17O9	771.4213	NA	PeJP	NA	NA
+PJ031581	PDKKER 	C32H57N11O11	771.4239	NA	PeJP	NA	NA
+PJ031582	GGGALLER 	C32H57N11O11	771.424	NA	PeJP	NA	NA
+PJ031583	PVDKKW 	C37H57N9O9	771.428	NA	PeJP	NA	NA
+PJ031584	GPMRRR 	C30H57N15O7S	771.4287	NA	PeJP	NA	NA
+PJ031585	APPTKKM 	C34H61N9O9S	771.4313	NA	PeJP	NA	NA
+PJ031586	PPLLFW 	C42H57N7O7	771.432	NA	PeJP	NA	NA
+PJ031587	SPKERR 	C31H57N13O10	771.4352	NA	PeJP	NA	NA
+PJ031588	PLLLMW 	C39H61N7O7S	771.4354	NA	PeJP	NA	NA
+PJ031589	SPTLLLE 	C35H61N7O12	771.4378	NA	PeJP	NA	NA
+PJ031590	GVLLLEE 	C35H61N7O12	771.4379	NA	PeJP	NA	NA
+MJ093854	Pol-RFamide 	C36H57N11O8	771.439157	NA	MeJP	NA	NA
+PJ031591	SPVKRW 	C36H57N11O8	771.4392	NA	PeJP	NA	NA
+C14058	Leucomycin A5	C39H65NO14	771.4405	NA	KEGG	NA	NA
+MJ093855	Leucomycin A5 	C39H65NO14	771.440505	NA	MeJP	NA	NA
+MJ093856	Staphcoccomycin 	C39H65NO14	771.440505	NA	MeJP	NA	NA
+MJ093857	Tylosin B 	C39H65NO14	771.440505	NA	MeJP	NA	NA
+PJ031592	PLQKMR 	C33H61N11O8S	771.4426	NA	PeJP	NA	NA
+PJ031593	GVERRR 	C30H57N15O9	771.4464	NA	PeJP	NA	NA
+MJ093858	Dynastin 4 	C34H61N9O11	771.449053	NA	MeJP	NA	NA
+PJ031594	LLLEER 	C34H61N9O11	771.4491	NA	PeJP	NA	NA
+PJ031595	AALRRW 	C35H57N13O7	771.4504	NA	PeJP	NA	NA
+PJ031596	VLLLEW 	C39H61N7O9	771.4531	NA	PeJP	NA	NA
+PJ031597	PCLKRR 	C32H61N13O7S	771.4538	NA	PeJP	NA	NA
+PJ031598	SPVLLLM 	C36H65N7O9S	771.4565	NA	PeJP	NA	NA
+PJ031599	ERRRR 	C29H57N17O8	771.4576	NA	PeJP	NA	NA
+PJ031600	VLQKER 	C33H61N11O10	771.4603	NA	PeJP	NA	NA
+PJ031601	VRRRW 	C34H57N15O6	771.4617	NA	PeJP	NA	NA
+PJ031602	PTLKKW 	C38H61N9O8	771.4643	NA	PeJP	NA	NA
+PJ031603	GGVLLKW 	C38H61N9O8	771.4644	NA	PeJP	NA	NA
+PJ031604	GPVLKKM 	C35H65N9O8S	771.4677	NA	PeJP	NA	NA
+MJ093859	Kemptide 	C32H61N13O9	771.47152	NA	MeJP	NA	NA
+PJ031605	ALKERR 	C32H61N13O9	771.4716	NA	PeJP	NA	NA
+PJ031606	ATLLLLE 	C36H65N7O11	771.4742	NA	PeJP	NA	NA
+PJ031607	GLLKRW 	C37H61N11O7	771.4756	NA	PeJP	NA	NA
+PJ031608	PLKKMR 	C34H65N11O7S	771.4789	NA	PeJP	NA	NA
+PJ031609	ATLRRR 	C31H61N15O8	771.4828	NA	PeJP	NA	NA
+PJ031610	AALLKKE 	C35H65N9O10	771.4855	NA	PeJP	NA	NA
+PJ031611	GPLLLLF 	C40H65N7O8	771.4895	NA	PeJP	NA	NA
+PJ031612	GLLLLLM 	C37H69N7O8S	771.4929	NA	PeJP	NA	NA
+PJ031613	VLKKER 	C34H65N11O9	771.4967	NA	PeJP	NA	NA
+PJ031614	VVLKKW 	C39H65N9O7	771.5007	NA	PeJP	NA	NA
+PJ031615	SLLKRR 	C33H65N13O8	771.5079	NA	PeJP	NA	NA
+PJ031616	STLLLLL 	C37H69N7O10	771.5106	NA	PeJP	NA	NA
+PJ031617	GKKKRR 	C32H65N15O7	771.5192	NA	PeJP	NA	NA
+PJ031618	GTLLLKK 	C36H69N9O9	771.5219	NA	PeJP	NA	NA
+PJ031619	LQKKKK 	C35H69N11O8	771.5331	NA	PeJP	NA	NA
+PJ031620	LKKKKK 	C36H73N11O7	771.5695	NA	PeJP	NA	NA
+EUR966	PC 36:2 [M-H-CH3]-	C44H84NO8P	771.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR966	PC 36:2 [M-H-CH3]-	C44H84NO8P	771.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR966	PC 36:2 [M-H-CH3]-	C44H84NO8P	771.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR966	PC 36:2 [M-H-CH3]-	C44H84NO8P	771.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB05341	GPEtn(20:0/18:2(9Z,12Z))	C43H82NO8P	771.57782	http://www.hmdb.ca/metabolites/HMDB05341	HMDB	NA	NA
+HMDB05348	GPEtn(18:1(9Z)/20:1(11Z))	C43H82NO8P	771.57782	http://www.hmdb.ca/metabolites/HMDB05348	HMDB	NA	NA
+HMDB05341	GPEtn(20:0/18:2(9Z,12Z))	C43H82NO8P	771.57782	HMDB05341	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05348	GPEtn(18:1(9Z)/20:1(11Z))	C43H82NO8P	771.57782	HMDB05348	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07946	PC(15:0/20:2(11Z,14Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB08330	PC(20:2(11Z,14Z)/15:0)	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB08882	PE(14:1(9Z)/24:1(15Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB08942	PE(16:0/22:2(13Z,16Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB08974	PE(16:1(9Z)/22:1(13Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09000	PE(18:0/20:2(11Z,14Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09032	PE(18:1(11Z)/20:1(11Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09065	PE(18:1(9Z)/20:1(11Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09097	PE(18:2(9Z,12Z)/20:0)	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09225	PE(20:0/18:2(9Z,12Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09256	PE(20:1(11Z)/18:1(11Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09257	PE(20:1(11Z)/18:1(9Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09288	PE(20:2(11Z,14Z)/18:0)	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09518	PE(22:1(13Z)/16:1(9Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09550	PE(22:2(13Z,16Z)/16:0)	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB09746	PE(24:1(15Z)/14:1(9Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+HMDB10564	PE-NMe2(18:1(9Z)/18:1(9Z))	C43H82NO8P	771.57782	NA	HMDB2010	NA	NA
+MJ093860	2-Amino-9-methyl-4,7-octadecadiene-1,3,9-triol, N-(2R-Hydroxyoctadecanoyl), 1-O-?-D-glucopyranoside 	C43H81NO10	771.586047	NA	MeJP	NA	NA
+MJ093861	2-Amino-9-methylene-4-octadecene-1,3,8-triol, N-(2R-Hydroxyoctadecanoyl), 1-O-?-D-glucopyranoside 	C43H81NO10	771.586047	NA	MeJP	NA	NA
+HMDB08062	PC(18:0/P-18:1(11Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB08063	PC(18:0/P-18:1(9Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB08094	PC(18:1(11Z)/P-18:0)	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB08127	PC(18:1(9Z)/P-18:0)	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB08324	PC(20:1(11Z)/P-16:0)	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB11216	PC(P-16:0/20:1(11Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB11242	PC(P-18:0/18:1(11Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB11243	PC(P-18:0/18:1(9Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB11274	PC(P-18:1(11Z)/18:0)	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB11307	PC(P-18:1(9Z)/18:0)	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB13418	PC(o-18:0/18:2(9Z,12Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+HMDB13428	PC(o-18:1(9Z)/18:1(11Z))	C44H86NO7P	771.614197	NA	HMDB2010	NA	NA
+MJ093862	3,5',7',7'-Tetrabromo-1',4-dibutyl-4'-(dibromomethylene)spiro[furan-2(5H),6'-[3]oxabicyclo[3.2.0]heptane]-2',5-dione 	C18H18Br6O4	771.630534	NA	MeJP	NA	NA
+MJ093863	4,10,11,11,12,12-Hexabromo-3,9-dibutyl-1,7-dioxadispiro[4.0.4.2]dodeca-3,9-diene-2,8-dione 	C18H18Br6O4	771.630534	NA	MeJP	NA	NA
+MJ093864	Aluminium bismuth oxide (Al6Bi2O12) 	Al6Bi2O12	771.788972	NA	MeJP	NA	NA
+C15426	2,5-Bis[(iodomercuri)methyl]-p-dioxane	C6H10Hg2I2O2	771.8183	NA	KEGG	NA	NA
+HMDB01459	Guanosine triphosphate adenosine	C20H27N10O17P3	772.07684	http://www.hmdb.ca/metabolites/HMDB01459	HMDB	NA	NA
+HMDB01459	Guanosine triphosphate adenosine	C20H27N10O17P3	772.07684	HMDB01459	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01459	Guanosine triphosphate adenosine	C20H27N10O17P3	772.076843	NA	HMDB2010	NA	NA
+MJ093865	Leptosin B 	C32H32N6O7S5	772.0936	NA	MeJP	NA	NA
+MJ093866	Leptosin G2 	C32H32N6O7S5	772.0936	NA	MeJP	NA	NA
+MJ093867	1,5-Anhydroglucitol, 2,6-Bis(galloylgalloyl) 	C34H28O21	772.112307	NA	MeJP	NA	NA
+MJ093868	1,5-Anhydroglucitol, 2-O-(3,4,5-Trihydroxybenzoyl), 6-O-(galloylgalloylgalloyl) 	C34H28O21	772.112307	NA	MeJP	NA	NA
+MJ093869	1,5-Anhydroglucitol, 6-O-(3,4,5-Trihydroxybenzoyl), 2-O-(galloylgalloylgalloyl) 	C34H28O21	772.112307	NA	MeJP	NA	NA
+MJ093870	proto-Quercitol, 1,2,4,5-Tetrakis(3,4,5-trihydroxybenzoyl) 	C34H28O21	772.112307	NA	MeJP	NA	NA
+MJ093871	proto-Quercitol, 1,3,4,5-Tetrakis(3,4,5-trihydroxybenzoyl) 	C34H28O21	772.112307	NA	MeJP	NA	NA
+MJ093872	scyllo-Quercitol; 1,2,3,4-Tetrakis-O-(3,4,5-trihydroxybenzoyl) 	C34H28O21	772.112307	NA	MeJP	NA	NA
+MJ093873	Ellagic acid; 2-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C32H36O22	772.169822	NA	MeJP	NA	NA
+PJ031621	CCCCNNN 	C24H40N10O11S4	772.1761	NA	PeJP	NA	NA
+PJ031622	SCCCNDE 	C25H40N8O14S3	772.1826	NA	PeJP	NA	NA
+PJ031623	GGSCCCDE 	C25H40N8O14S3	772.1827	NA	PeJP	NA	NA
+PJ031624	PCCCCNM 	C26H44N8O9S5	772.1835	NA	PeJP	NA	NA
+FL3FACDS0017	Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate	C36H36O19	772.18507	64763-01-5	knapsack	NA	NA
+FL3FACGS0082	Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside)	C36H36O19	772.18507	-	knapsack	NA	NA
+FL3FECGS0021	6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)	C36H36O19	772.18507	113720-08-4	knapsack	NA	NA
+FL5FAAGA0032	Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside	C36H36O19	772.18507	107140-37-4	knapsack	NA	NA
+FL5FAAGL0080	Kaempferol 3-caffeylsophoroside	C36H36O19	772.18507	130425-54-6	knapsack	NA	NA
+FL5FACGL0078	Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside	C36H36O19	772.18507	473919-25-4	knapsack	NA	NA
+MJ093874	3',4',5,6,7-Pentahydroxyflavone; 7-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093875	Astragalin; 2''-O-[2,5-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093876	Astragalin; 2''-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranosyl] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093877	Isoorientin; 2''-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093878	Isoorientin; 2''-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093879	Populnin; 3-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093880	Trifolin; 2''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C36H36O19	772.185078	NA	MeJP	NA	NA
+MJ093881	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Galactopyranoside, 5-O-[4-hydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C36H37O19(+)	772.185079	NA	MeJP	NA	NA
+MJ093882	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C36H37O19(+)	772.185079	NA	MeJP	NA	NA
+MJ093883	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C36H37O19(+)	772.185079	NA	MeJP	NA	NA
+MJ093884	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 3'-O-[3,4-dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C36H37O19(+)	772.185079	NA	MeJP	NA	NA
+MJ093885	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-[6-O-(3,4-dihydroxycinnamoyl)-?-D-glucopyranoside](E-) 	C36H37O19(+)	772.185079	NA	MeJP	NA	NA
+MJ093886	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C36H37O19(+)	772.185079	NA	MeJP	NA	NA
+PJ031625	GSCCCDW 	C29H40N8O11S3	772.1979	NA	PeJP	NA	NA
+PJ031626	GSSSCCDD 	C25H40N8O16S2	772.2004	NA	PeJP	NA	NA
+PJ031627	GCCNDMM 	C26H44N8O11S4	772.2013	NA	PeJP	NA	NA
+C12635	Kaempferol	C33H40O21	772.2062	NA	KEGG	NA	NA
+FL3FACDS0011	Isoorientin 4',2''-di-O-glucoside	C33H40O21	772.2062	63316-26-7	knapsack	NA	NA
+FL3FACDS0012	Isoorientin 3',6''-di-O-glucoside	C33H40O21	772.2062	98568-81-1	knapsack	NA	NA
+FL3FACDS0015	Isoorientin 3'-O-sophoroside	C33H40O21	772.2062	102149-00-8	knapsack	NA	NA
+FL3FACDS0024	Lucenin-2,3'-O-glucoside	C33H40O21	772.2062	-	knapsack	NA	NA
+FL3FACGS0047	Luteolin 7-gentiobioside-4'-glucoside	C33H40O21	772.2062	89718-43-4	knapsack	NA	NA
+FL3FACGS0080	Luteolin 7-sophorotrioside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	205326-77-8	knapsack	NA	NA
+FL3FFCGS0023	Hypolaetin 8-glucoside-3'-rutinoside;8-Hydroxyluteolin 8-glucoside-3'-rutinoside;2-[3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-4-hydroxyphenyl]-8-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	219135-83-8	knapsack	NA	NA
+FL5FAAGA0020	Kaempferol 3-glucosyl-(1->2)-galactoside-7-glucoside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O21	772.2062	142235-82-3	knapsack	NA	NA
+FL5FAAGL0021	Kaempferol 3-sophorotrioside	C33H40O21	772.2062	80714-53-0	knapsack	NA	NA
+FL5FAAGL0022	Sorboside	C33H40O21	772.2062	16839-04-6	knapsack	NA	NA
+FL5FAAGL0028	Kaempferol 3-glucosyl-(1->2)-gentiobioside	C33H40O21	772.2062	55696-59-8	knapsack	NA	NA
+FL5FAAGL0035	Kaempferol 3-sophoroside-7-glucoside	C33H40O21	772.2062	55136-76-0	knapsack	NA	NA
+FL5FAAGL0039	Kaempferol 3-gentiobioside-7-glucoside	C33H40O21	772.2062	84543-10-2	knapsack	NA	NA
+FL5FAAGL0049	Kaempferol 3-sophoroside-4'-glucoside	C33H40O21	772.2062	132923-22-9	knapsack	NA	NA
+FL5FAAGL0051	Kaempferol 3-glucoside-7-sophoroside	C33H40O21	772.2062	135264-85-6	knapsack	NA	NA
+FL5FAAGL0052	Kaempferol 3-glucoside-7-gentiobioside	C33H40O21	772.2062	60778-01-0	knapsack	NA	NA
+FL5FAAGL0110	Kaempferol 3,7,4'-triglucoside	C33H40O21	772.2062	108887-48-5	knapsack	NA	NA
+FL5FAAGS0083	Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O21	772.2062	197250-98-9	knapsack	NA	NA
+FL5FAAGS0086	Kaempferol 7-(3G-glucosylgentiobioside);Kaempferol 7-O-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1-->6)]-glucopyranoside;7-[(O-beta-D-glucopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O21	772.2062	557102-62-2	knapsack	NA	NA
+FL5FAAGS0095	Kaempferol 3-gentiobioside-4'-glucoside;3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	288626-57-3	knapsack	NA	NA
+FL5FACGA0015	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside	C33H40O21	772.2062	134953-93-8	knapsack	NA	NA
+FL5FACGA0019	Quercetin 3-rhamnosyl-(1->2)[glucosyl-(1->6)-galactoside];Quercetin 3-(6'''-rhamnosylgentiobioside);3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	123493-51-6	knapsack	NA	NA
+FL5FACGA0021	Quercetin 3-rhamnosyl-(1->2)-galactoside-7-glucoside	C33H40O21	772.2062	128988-57-8	knapsack	NA	NA
+FL5FACGA0022	Quercetin 3-robinobioside-7-glucoside	C33H40O21	772.2062	29826-50-4	knapsack	NA	NA
+FL5FACGA0024	Quercetin 3-galactoside-7-neohesperidoside	C33H40O21	772.2062	120552-48-9	knapsack	NA	NA
+FL5FACGA0025	Quercetin 3-galactoside-7-glucosyl-(1->4)-rhamnoside	C33H40O21	772.2062	142130-51-6	knapsack	NA	NA
+FL5FACGL0022	Quercetin 3-(3R-glucosylrutinoside)	C33H40O21	772.2062	136449-10-0	knapsack	NA	NA
+FL5FACGL0028	Quercetin 3-(2G-glucosylrutinoside)	C33H40O21	772.2062	55696-55-4	knapsack	NA	NA
+FL5FACGL0029	Quercetin 3-(2G-rhamnosylgentiobioside)	C33H40O21	772.2062	55780-29-5	knapsack	NA	NA
+FL5FACGL0034	Quercetin 3-sophoroside-7-rhamnoside	C33H40O21	772.2062	64828-40-6	knapsack	NA	NA
+FL5FACGL0038	Quercetin 3-neohesperidoside-7-glucoside	C33H40O21	772.2062	-	knapsack	NA	NA
+FL5FACGL0040	Quercetin 3-rutinoside-7-galactoside	C33H40O21	772.2062	50867-29-3	knapsack	NA	NA
+FL5FACGL0041	Quercetin 3-rutinoside-7-glucoside	C33H40O21	772.2062	30311-61-6	knapsack	NA	NA
+FL5FACGL0045	Quercetin 3-rutinoside-4'-glucoside	C33H40O21	772.2062	89439-59-8	knapsack	NA	NA
+FL5FACGL0047	Quercetin 3-glucoside-7-neohesperidoside	C33H40O21	772.2062	120662-37-5	knapsack	NA	NA
+FL5FACGL0048	Quercetin 3-glucoside-7-rutinoside	C33H40O21	772.2062	28288-95-1	knapsack	NA	NA
+FL5FACGL0049	Quercetin 3-glucoside-7-glucosyl-(1->4)-rhamnoside	C33H40O21	772.2062	142059-75-4	knapsack	NA	NA
+FL5FACGS0042	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside	C33H40O21	772.2062	59262-55-4	knapsack	NA	NA
+FL5FACGS0074	Quercetin 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	420113-07-1	knapsack	NA	NA
+FL5FACGS0075	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside;3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	211947-57-8	knapsack	NA	NA
+FL5FACGS0078	Quercetin 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside];Peruvianoside III;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	366014-83-7	knapsack	NA	NA
+FL5FACGS0081	Quercetin 3-glucosyl-(1->2)-rhamnoside-7-glucoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	245036-42-4	knapsack	NA	NA
+FL5FAGGA0005	Myricetin 3-robinobioside-7-rhamnoside	C33H40O21	772.2062	151676-94-7	knapsack	NA	NA
+FL5FAGGL0009	Myricetin 3-rutinoside-7-rhamnoside	C33H40O21	772.2062	-	knapsack	NA	NA
+FL5FAGGS0025	Myricetin 3-(2G-rhamnosylrutinoside);Myricetin 3-O-(2'',6''-di-O-alpha-rhamnosyl)-beta-glucoside; 3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O21	772.2062	199985-43-8	knapsack	NA	NA
+FL5FCCGS0011	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside];Rhamnetin  3-alpha-L-arabinopyranosyl-(1->3)-[galactosyl-(1->6)-galactoside];3-[(O-alpha-L-arabinopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one	C33H40O21	772.2062	475109-06-9	knapsack	NA	NA
+FL5FEAGL0003	6-Hydroxykaempferol 3-rutinoside-6-glucoside	C33H40O21	772.2062	145134-63-0	knapsack	NA	NA
+MJ093887	3',4',5',7,8-Pentahydroxyflavone; 3'-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 8-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093888	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 7-O-?-L-rhamnopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093889	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-L-rhamnopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093890	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1??)-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093891	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093892	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-Arabinoside, 3',4'-di-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093893	3,4',5,6,7-Pentahydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 6-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093894	6,8-Diglucopyranosyl-3',4',5,5',7-pentahydroxyflavone; O'''-Rhamnoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093895	Astragalin; 2''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093896	Astragalin; 2''-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranosyl] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093897	Astragalin; 3''-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranosyl] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093898	Astragalin; 4',7-Di-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093899	Astragalin; 6''-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093900	Astragalin; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093901	Astragalin; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093902	Hyperin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093903	Hyperin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093904	Hyperin; 6''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093905	Hyperin; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093906	Hyperin; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093907	Isoorientin; 2''-O-?-D-Glucopyranosyl, 4'-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093908	Isoorientin; 3'-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093909	Isoorientin; 6''-O-?-D-Glucopyranosyl, 3'-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093910	Isoorientin; 6''-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093911	Isoorientin; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093912	Isoquercitrin; 6''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093913	Isoquercitrin; 7-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093914	Isoquercitrin; 7-O-[?-L-Rhamnosyl-(1??)-fructoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093915	Isoquercitrin; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093916	Isoquercitrin; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093917	Isoquercitrin; 7-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093918	Isoquercitrin; O''-Rhamnosyl, 4'-O-?-D-glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093919	Isoquercitrin; O''-Rhamnosyl, 7-O-glucoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093920	Lucenin 2; 3'-O-?-D-Glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093921	Populnin; 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093922	Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093923	Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093924	Populnin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093925	Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093926	Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093927	Rutin; 2''-O-?-D-Glucopyranosyl 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093928	Rutin; 4'-O-?-D-Glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093929	Rutin; 7-O-?-D-Glucopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093930	Rutin; 7-O-D-Galactopyranoside 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093931	Vincetoxicoside B; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O21	772.206208	NA	MeJP	NA	NA
+MJ093932	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C33H41O21(+)	772.206208	NA	MeJP	NA	NA
+MJ093933	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C33H41O21(+)	772.206208	NA	MeJP	NA	NA
+MJ093934	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,3',5-Tri-O-?-D-glucopyranoside 	C33H41O21(+)	772.206208	NA	MeJP	NA	NA
+MetaCyc04122	quercetin-3-O-[glucosyl(1->6)glucoside]-7-O-rhamnoside [quercetin 3-O-&beta;-[&beta;-D-glucopyranosyl(1->6)D-glucopyranoside]-7-O-&alpha;-L-rhamnopyranoside;]	C33H40O21	772.206208	NA	metacyc	NA	NA
+PJ031628	GCCCCER 	C25H44N10O10S4	772.2125	NA	PeJP	NA	NA
+PJ031629	GCCNDDF 	C29H40N8O13S2	772.2157	NA	PeJP	NA	NA
+PJ031630	CCCQMW 	C30H44N8O8S4	772.2165	NA	PeJP	NA	NA
+PJ031631	SSCCNEM 	C26H44N8O13S3	772.219	NA	PeJP	NA	NA
+PJ031632	GCCCNHH 	C27H40N12O9S3	772.2204	NA	PeJP	NA	NA
+MJ093935	1,2,3,4,6,8,9,13,14-Nonahydroxydihydro-?-agarofuran, 8-Ketone, 13-benzoyl, 3-(3-furancarbonyl), 1,2,6,9,14-penta-Ac 	C37H40O18	772.221464	NA	MeJP	NA	NA
+PJ031633	DDDDMY 	C30H40N6O16S	772.2222	NA	PeJP	NA	NA
+PJ031634	DDMMMM 	C28H48N6O11S4	772.2264	NA	PeJP	NA	NA
+PJ031635	CCCCRW 	C29H44N10O7S4	772.2278	NA	PeJP	NA	NA
+PJ031636	SSCCCDR 	C25H44N10O12S3	772.2303	NA	PeJP	NA	NA
+MJ093936	Methanopterin 	C30H41N6O16P	772.231665	NA	MeJP	NA	NA
+PJ031637	GSCNDDY 	C29H40N8O15S	772.2334	NA	PeJP	NA	NA
+PJ031638	GSSCCMW 	C30H44N8O10S3	772.2343	NA	PeJP	NA	NA
+MJ093937	Paulomycin A; 3''-O-De-Me 	C33H44N2O17S	772.236068	NA	MeJP	NA	NA
+MJ093938	Paulomycin B 	C33H44N2O17S	772.236068	NA	MeJP	NA	NA
+PJ031639	GSSSSCDM 	C26H44N8O15S2	772.2368	NA	PeJP	NA	NA
+PJ031640	ASCCQMM 	C27H48N8O10S4	772.2376	NA	PeJP	NA	NA
+PJ031641	GSCNMMM 	C27H48N8O10S4	772.2377	NA	PeJP	NA	NA
+PJ031642	DDDMMF 	C31H44N6O13S2	772.2408	NA	PeJP	NA	NA
+FL2FAEGS0007	Alhagidin;5,7,3'-Trihydroxy-4'-methoxyflavanone 7-galactosyl-(1->2)-[rhamnosyl-(1->6)]glucoside	C34H44O20	772.24259	238750-98-6	knapsack	NA	NA
+MJ093939	3',5,7-Trihydroxy-4'-methoxyflavanone, 7-O-[?-D-Galactopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C34H44O20	772.242593	NA	MeJP	NA	NA
+PJ031643	CDMMHH 	C29H44N10O9S3	772.2455	NA	PeJP	NA	NA
+PJ031644	GTCCCMR 	C26H48N10O9S4	772.2489	NA	PeJP	NA	NA
+PJ031645	DDEEEH 	C29H40N8O17	772.2512	NA	PeJP	NA	NA
+PJ031646	SSSTCCW 	C30H44N8O12S2	772.252	NA	PeJP	NA	NA
+PJ031647	GGGGCEMY 	C30H44N8O12S2	772.2521	NA	PeJP	NA	NA
+PJ031648	CCCKMW 	C31H48N8O7S4	772.2529	NA	PeJP	NA	NA
+PJ031649	SSSSSSCE 	C26H44N8O17S	772.2545	NA	PeJP	NA	NA
+PJ031650	DDDDFF 	C34H40N6O15	772.2552	NA	PeJP	NA	NA
+PJ031651	SSSCQMM 	C27H48N8O12S3	772.2554	NA	PeJP	NA	NA
+PJ031652	GCNNNDH 	C27H40N12O13S	772.2559	NA	PeJP	NA	NA
+PJ031653	SDEEMY 	C31H44N6O15S	772.2586	NA	PeJP	NA	NA
+PJ031654	PCEMMY 	C32H48N6O10S3	772.2594	NA	PeJP	NA	NA
+PJ031655	CDDHHF 	C32H40N10O11S	772.2599	NA	PeJP	NA	NA
+PJ031656	GSNDDEH 	C28H40N10O16	772.2624	NA	PeJP	NA	NA
+PJ031657	TEMMMM 	C29H52N6O10S4	772.2628	NA	PeJP	NA	NA
+PJ031658	CCNDRY 	C29H44N10O11S2	772.2633	NA	PeJP	NA	NA
+PJ031659	CCHHHH 	C30H40N14O7S2	772.2646	NA	PeJP	NA	NA
+PJ031660	SSSCCMR 	C26H48N10O11S3	772.2666	NA	PeJP	NA	NA
+PJ031661	GCNMYW 	C34H44N8O9S2	772.2673	NA	PeJP	NA	NA
+PJ031662	GSSNDMY 	C30H44N8O14S	772.2698	NA	PeJP	NA	NA
+PJ031663	GPCCCKY 	C31H48N8O9S3	772.2707	NA	PeJP	NA	NA
+MJ093940	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8,9-Tribenzoyl, 1,6,14-tri-Ac 	C42H44O14	772.273106	NA	MeJP	NA	NA
+MJ093941	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,8,9-Tribenzoyl, 2,6,14-tri-Ac 	C42H44O14	772.273106	NA	MeJP	NA	NA
+PJ031664	GSSSSSMM 	C27H48N8O14S2	772.2732	NA	PeJP	NA	NA
+PJ031665	PCDEFY 	C35H44N6O12S	772.2738	NA	PeJP	NA	NA
+PJ031666	GTCCKMM 	C28H52N8O9S4	772.274	NA	PeJP	NA	NA
+PJ031667	AEEMMY 	C32H48N6O12S2	772.2772	NA	PeJP	NA	NA
+PJ031668	SNDDHW 	C32H40N10O13	772.2777	NA	PeJP	NA	NA
+PJ031669	PCCQHW 	C33H44N10O8S2	772.2785	NA	PeJP	NA	NA
+PJ031670	NNEEMH 	C29H44N10O13S	772.281	NA	PeJP	NA	NA
+PJ031671	GGGGEEMH 	C29H44N10O13S	772.2811	NA	PeJP	NA	NA
+PJ031672	VMMMMM 	C30H56N6O7S5	772.2814	NA	PeJP	NA	NA
+PJ031673	CCNMFR 	C30H48N10O8S3	772.2819	NA	PeJP	NA	NA
+PJ031674	SSCQYW 	C34H44N8O11S	772.285	NA	PeJP	NA	NA
+PJ031675	GGSTCYW 	C34H44N8O11S	772.2851	NA	PeJP	NA	NA
+PJ031676	SSSSNEY 	C30H44N8O16	772.2875	NA	PeJP	NA	NA
+PJ031677	GGSSSSEY 	C30H44N8O16	772.2876	NA	PeJP	NA	NA
+PJ031678	SNQMMY 	C31H48N8O11S2	772.2884	NA	PeJP	NA	NA
+PJ031679	SSSSSSTM 	C27H48N8O16S	772.2909	NA	PeJP	NA	NA
+PJ031680	SPDEYY 	C35H44N6O14	772.2916	NA	PeJP	NA	NA
+PJ031681	SSSCKMM 	C28H52N8O11S3	772.2918	NA	PeJP	NA	NA
+PJ031682	CNDEHR 	C28H44N12O12S	772.2923	NA	PeJP	NA	NA
+PJ031683	PPCMYY 	C36H48N6O9S2	772.2924	NA	PeJP	NA	NA
+PJ031684	PCEMFF 	C36H48N6O9S2	772.2925	NA	PeJP	NA	NA
+MJ093942	3,5,6,11,14,15,17-Heptahydroxy-9-segetanone, 3-Benzoyl, 5-(2-acetoxyacetyl), 6,11,14,17-tetra-Ac 	C39H48O16	772.294235	NA	MeJP	NA	NA
+MJ093943	Paralinone A; 11?-Acetoxy 	C39H48O16	772.294235	NA	MeJP	NA	NA
+PJ031685	TTEEMY 	C32H48N6O14S	772.2949	NA	PeJP	NA	NA
+PJ031686	PTMMMY 	C33H52N6O9S3	772.2958	NA	PeJP	NA	NA
+PJ031687	GNEMHW 	C33H44N10O10S	772.2963	NA	PeJP	NA	NA
+PJ031688	GSSQEEH 	C29H44N10O15	772.2988	NA	PeJP	NA	NA
+PJ031689	SCNMRY 	C30H48N10O10S2	772.2996	NA	PeJP	NA	NA
+PJ031690	GGSCMRY 	C30H48N10O10S2	772.2997	NA	PeJP	NA	NA
+PJ031691	NNDHHH 	C30H40N14O11	772.3001	NA	PeJP	NA	NA
+PJ031692	GGGGDHHH 	C30H40N14O11	772.3002	NA	PeJP	NA	NA
+PJ031693	GCNFFW 	C38H44N8O8S	772.3003	NA	PeJP	NA	NA
+PJ031694	GSSSSYW 	C34H44N8O13	772.3028	NA	PeJP	NA	NA
+PJ031695	ACCKYW 	C35H48N8O8S2	772.3037	NA	PeJP	NA	NA
+PJ031696	GSSTQMY 	C31H48N8O13S	772.3062	NA	PeJP	NA	NA
+PJ031697	EEFYW 	C39H44N6O11	772.3068	NA	PeJP	NA	NA
+PJ031698	CNKMMF 	C32H52N8O8S3	772.3071	NA	PeJP	NA	NA
+PJ031699	GCDHRW 	C32H44N12O9S	772.3075	NA	PeJP	NA	NA
+7689	ACE inhibitor from ovalbumin	NIFYCP	772.3099	antioxidative	Inhouse_peptide	NA	peptide
+PJ031700	GSSDDHR 	C28H44N12O14	772.31	NA	PeJP	NA	NA
+PJ031701	GGGGGGGGSPN 	C28H44N12O14	772.3101	NA	PeJP	NA	NA
+PJ031702	APEMYY 	C36H48N6O11S	772.3102	NA	PeJP	NA	NA
+PJ031703	GPTCCHR 	C29H48N12O9S2	772.3109	NA	PeJP	NA	NA
+PJ031704	NMHWW 	C37H44N10O7S	772.3115	NA	PeJP	NA	NA
+PJ031705	GGMHWW 	C37H44N10O7S	772.3116	NA	PeJP	NA	NA
+PJ031706	SLEMMY 	C33H52N6O11S2	772.3136	NA	PeJP	NA	NA
+PJ031707	SSQEHW 	C33H44N10O12	772.314	NA	PeJP	NA	NA
+PJ031708	GGGGPNEW 	C33H44N10O12	772.3141	NA	PeJP	NA	NA
+PJ031709	PCCKHW 	C34H48N10O7S2	772.3149	NA	PeJP	NA	NA
+PJ031710	GSSTCRY 	C30H48N10O12S	772.3174	NA	PeJP	NA	NA
+PJ031711	NQYYW 	C38H44N8O10	772.3181	NA	PeJP	NA	NA
+PJ031712	SSCKYW 	C35H48N8O10S	772.3214	NA	PeJP	NA	NA
+MJ093944	Phalloin 	C35H48N8O10S	772.32141	NA	MeJP	NA	NA
+PJ031713	GGGAAMFY 	C35H48N8O10S	772.3215	NA	PeJP	NA	NA
+MJ093945	Tawicyclamide B 	C36H52N8O5S3	772.322278	NA	MeJP	NA	NA
+PJ031714	SSSSDKY 	C31H48N8O15	772.3239	NA	PeJP	NA	NA
+PJ031715	GPVNEEE 	C31H48N8O15	772.324	NA	PeJP	NA	NA
+PJ031716	SNKMMY 	C32H52N8O10S2	772.3248	NA	PeJP	NA	NA
+PJ031717	NNNQHF 	C32H44N12O11	772.3253	NA	PeJP	NA	NA
+PJ031718	PPCFFY 	C40H48N6O8S	772.3255	NA	PeJP	NA	NA
+PJ031719	GLEEYY 	C36H48N6O13	772.328	NA	PeJP	NA	NA
+PJ031720	SNEMHR 	C29H48N12O11S	772.3286	NA	PeJP	NA	NA
+PJ031721	GGSEMHR 	C29H48N12O11S	772.3287	NA	PeJP	NA	NA
+PJ031722	PCLMFY 	C37H52N6O8S2	772.3288	NA	PeJP	NA	NA
+PJ031723	GSTHWW 	C37H44N10O9	772.3293	NA	PeJP	NA	NA
+C13849	Correolide	C40H52O15	772.3306	NA	KEGG	NA	NA
+C13850	Transferred to D02147	C40H52O15	772.3306	NA	KEGG	NA	NA
+PJ031724	VVMMMY 	C34H56N6O8S3	772.3322	NA	PeJP	NA	NA
+PJ031725	PPCDRW 	C34H48N10O9S	772.3327	NA	PeJP	NA	NA
+PJ031726	SSSSSRY 	C30H48N10O14	772.3352	NA	PeJP	NA	NA
+PJ031727	TCCKRY 	C31H52N10O9S2	772.336	NA	PeJP	NA	NA
+PJ031728	GGLQMMH 	C31H52N10O9S2	772.3361	NA	PeJP	NA	NA
+PJ031729	SQQHHH 	C31H44N14O10	772.3365	NA	PeJP	NA	NA
+PJ031730	GPPMWW 	C39H48N8O7S	772.3367	NA	PeJP	NA	NA
+PJ031731	PVNEEW 	C35H48N8O12	772.3392	NA	PeJP	NA	NA
+PJ031732	SCDHRR 	C28H48N14O10S	772.3399	NA	PeJP	NA	NA
+PJ031733	GSSTKMY 	C32H52N8O12S	772.3426	NA	PeJP	NA	NA
+MJ093946	Bouvardin 	C40H48N6O10	772.343191	NA	MeJP	NA	NA
+PJ031734	LEYYW 	C40H48N6O10	772.3432	NA	PeJP	NA	NA
+PJ031735	GSMHRW 	C33H48N12O8S	772.3439	NA	PeJP	NA	NA
+PJ031736	HHFFW 	C41H44N10O6	772.3446	NA	PeJP	NA	NA
+PJ031737	PDDDRR 	C29H48N12O13	772.3464	NA	PeJP	NA	NA
+PJ031738	GGGGGGGGGGAL 	C29H48N12O13	772.3465	NA	PeJP	NA	NA
+PJ031739	SPLMYY 	C37H52N6O10S	772.3466	NA	PeJP	NA	NA
+PJ031740	AQMMHR 	C30H52N12O8S2	772.3473	NA	PeJP	NA	NA
+PJ031741	GPEERW 	C34H48N10O11	772.3504	NA	PeJP	NA	NA
+PJ031742	GGGGPDKW 	C34H48N10O11	772.3505	NA	PeJP	NA	NA
+PJ031743	GSPPEMR 	C31H52N10O11S	772.3538	NA	PeJP	NA	NA
+PJ031744	SPPTWW 	C39H48N8O9	772.3544	NA	PeJP	NA	NA
+PJ031745	GPVEWW 	C39H48N8O9	772.3545	NA	PeJP	NA	NA
+MJ093947	Nudicauline; O14-De-Ac, O14-benzoyl 	C43H52N2O11	772.35711	NA	MeJP	NA	NA
+MJ093948	Pluramycin A 	C43H52N2O11	772.35711	NA	MeJP	NA	NA
+PJ031746	NNNQQR 	C28H48N14O12	772.3576	NA	PeJP	NA	NA
+PJ031747	GGGGNQQR 	C28H48N14O12	772.3577	NA	PeJP	NA	NA
+PJ031748	PPDKMW 	C36H52N8O9S	772.3578	NA	PeJP	NA	NA
+PJ031749	ACMHRR 	C29H52N14O7S2	772.3585	NA	PeJP	NA	NA
+PJ031750	SSSTTKY 	C32H52N8O14	772.3603	NA	PeJP	NA	NA
+PJ031751	TCKKMY 	C33H56N8O9S2	772.3612	NA	PeJP	NA	NA
+PJ031752	SSTHRW 	C33H48N12O10	772.3617	NA	PeJP	NA	NA
+PJ031753	PCLFFF 	C41H52N6O7S	772.3619	NA	PeJP	NA	NA
+PJ031754	SVLEYY 	C37H52N6O12	772.3643	NA	PeJP	NA	NA
+PJ031755	SDKMHR 	C30H52N12O10S	772.365	NA	PeJP	NA	NA
+PJ031756	GGGAPQMR 	C30H52N12O10S	772.3651	NA	PeJP	NA	NA
+PJ031757	VVMMFF 	C38H56N6O7S2	772.3652	NA	PeJP	NA	NA
+PJ031758	PERWW 	C38H48N10O8	772.3657	NA	PeJP	NA	NA
+3513	ACE inhibitor (as1-CN 142-147)	LAYFYP	772.367	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ031759	SPPMRW 	C35H52N10O8S	772.3691	NA	PeJP	NA	NA
+PJ031760	PVWWW 	C43H48N8O6	772.3697	NA	PeJP	NA	NA
+PJ031761	SSPVQQQ 	C31H52N10O13	772.3715	NA	PeJP	NA	NA
+PJ031762	PDKEER 	C31H52N10O13	772.3716	NA	PeJP	NA	NA
+PJ031763	AAPPMMR 	C32H56N10O8S2	772.3724	NA	PeJP	NA	NA
+PJ031764	SQKHHH 	C32H48N14O9	772.3729	NA	PeJP	NA	NA
+PJ031765	PVDKEW 	C36H52N8O11	772.3756	NA	PeJP	NA	NA
+PJ031766	SSMHRR 	C29H52N14O9S	772.3763	NA	PeJP	NA	NA
+PJ031767	QHFRW 	C37H48N12O7	772.3769	NA	PeJP	NA	NA
+PJ031768	SPPTLQM 	C33H56N8O11S	772.3789	NA	PeJP	NA	NA
+PJ031769	APPTKEM 	C33H56N8O11S	772.379	NA	PeJP	NA	NA
+PJ031770	APLFYY 	C41H52N6O9	772.3796	NA	PeJP	NA	NA
+PJ031771	VLMHHH 	C34H52N12O7S	772.3803	NA	PeJP	NA	NA
+PJ031772	SPEERR 	C30H52N12O12	772.3828	NA	PeJP	NA	NA
+PJ031773	ALLMYY 	C38H56N6O9S	772.383	NA	PeJP	NA	NA
+PJ031774	AKMMHR 	C31H56N12O7S2	772.3837	NA	PeJP	NA	NA
+PJ031775	SPVERW 	C35H52N10O10	772.3868	NA	PeJP	NA	NA
+PJ031776	PLQEMR 	C32H56N10O10S	772.3902	NA	PeJP	NA	NA
+PJ031777	APTLWW 	C40H52N8O8	772.3908	NA	PeJP	NA	NA
+PJ031778	GGPPLFW 	C40H52N8O8	772.3909	NA	PeJP	NA	NA
+PJ031779	GQQERR 	C29H52N14O11	772.394	NA	PeJP	NA	NA
+PJ031780	GGGAAERR 	C29H52N14O11	772.3941	NA	PeJP	NA	NA
+PJ031781	PVLQMW 	C37H56N8O8S	772.3942	NA	PeJP	NA	NA
+PJ031782	GPTLKEE 	C33H56N8O13	772.3967	NA	PeJP	NA	NA
+MJ093949	Iejimalide B; O-Sulfate 	C41H60N2O10S	772.396866	NA	MeJP	NA	NA
+PJ031783	GPPLKMM 	C34H60N8O8S2	772.3976	NA	PeJP	NA	NA
+PJ031784	SVQHFR 	C34H52N12O9	772.398	NA	PeJP	NA	NA
+PJ031785	GVQQRW 	C34H52N12O9	772.3981	NA	PeJP	NA	NA
+PJ031786	TTLLYY 	C38H56N6O11	772.4007	NA	PeJP	NA	NA
+PJ031787	PVDMRR 	C31H56N12O9S	772.4014	NA	PeJP	NA	NA
+PJ031788	APPFRW 	C39H52N10O7	772.4021	NA	PeJP	NA	NA
+MJ093950	Dregeana 4; 7,12-Dideacyl, 7,29-bis(2-hydroxy-3-methylpentanoyl), 12-Ac 	C42H60O13	772.403392	NA	MeJP	NA	NA
+PJ031789	GNDRRR 	C28H52N16O10	772.4053	NA	PeJP	NA	NA
+PJ031790	APLMRW 	C36H56N10O7S	772.4055	NA	PeJP	NA	NA
+PJ031791	LLNEER 	C32H56N10O12	772.4079	NA	PeJP	NA	NA
+PJ031792	VLQEER 	C32H56N10O12	772.408	NA	PeJP	NA	NA
+PJ031793	VKKMMH 	C33H60N10O7S2	772.4088	NA	PeJP	NA	NA
+PJ031794	QQRRW 	C33H52N14O8	772.4093	NA	PeJP	NA	NA
+PJ031795	PTLKEW 	C37H56N8O10	772.412	NA	PeJP	NA	NA
+PJ031796	PCNKRR 	C30H56N14O8S	772.4127	NA	PeJP	NA	NA
+PJ031797	KHFRW 	C38H52N12O6	772.4133	NA	PeJP	NA	NA
+PJ031798	APVVKEM 	C34H60N8O10S	772.4153	NA	PeJP	NA	NA
+PJ031799	GPVLKEM 	C34H60N8O10S	772.4154	NA	PeJP	NA	NA
+PJ031800	ALLFFY 	C42H56N6O8	772.416	NA	PeJP	NA	NA
+PJ031801	ALEERR 	C31H56N12O11	772.4192	NA	PeJP	NA	NA
+PJ031802	APHHRR 	C32H52N16O7	772.4205	NA	PeJP	NA	NA
+PJ031803	GLLERW 	C36H56N10O9	772.4232	NA	PeJP	NA	NA
+MJ093951	Spirostane-2,3,6-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C39H64O15	772.424521	NA	MeJP	NA	NA
+MJ093952	Spirostane-3,6,23-triol, 3,6-Di-O-?-D-glucopyranoside 	C39H64O15	772.424521	NA	MeJP	NA	NA
+PJ031804	PLKEMR 	C33H60N10O9S	772.4266	NA	PeJP	NA	NA
+PJ031805	GVLLWW 	C41H56N8O7	772.4272	NA	PeJP	NA	NA
+PJ031806	GQKERR 	C30H56N14O10	772.4304	NA	PeJP	NA	NA
+PJ031807	PVLKMW 	C38H60N8O7S	772.4306	NA	PeJP	NA	NA
+2995	kinases inhibitor	KKALRRQEAFDAL	772.43195	MH2+	Inhouse_peptide	NA	peptide
+PJ031808	AALLKEE 	C34H60N8O12	772.4331	NA	PeJP	NA	NA
+PJ031809	GVQKRW 	C35H56N12O8	772.4344	NA	PeJP	NA	NA
+PJ031810	GGGLKRW 	C35H56N12O8	772.4345	NA	PeJP	NA	NA
+PJ031811	PTLMRR 	C32H60N12O8S	772.4378	NA	PeJP	NA	NA
+PJ031812	LLRWW 	C40H56N10O6	772.4385	NA	PeJP	NA	NA
+PJ031813	GTQRRR 	C29H56N16O9	772.4417	NA	PeJP	NA	NA
+PJ031814	VLKEER 	C33H60N10O11	772.4443	NA	PeJP	NA	NA
+PJ031815	GGAALKKE 	C33H60N10O11	772.4444	NA	PeJP	NA	NA
+PJ031816	QKRRW 	C34H56N14O7	772.4457	NA	PeJP	NA	NA
+PJ031817	VVLKEW 	C38H60N8O9	772.4484	NA	PeJP	NA	NA
+3007	kinases inhibitor	KKALRRQEAVYAL	772.45	MH2+	Inhouse_peptide	NA	peptide
+PJ031818	APTLLKM 	C35H64N8O9S	772.4517	NA	PeJP	NA	NA
+MJ093953	Streptothricin; Streptothricin D, N5-Me 	C32H60N12O10	772.455536	NA	MeJP	NA	NA
+PJ031819	SLLERR 	C32H60N12O10	772.4556	NA	PeJP	NA	NA
+PJ031820	SVLLRW 	C37H60N10O8	772.4596	NA	PeJP	NA	NA
+MJ093954	Furostane-3,22,26-triol, 22-Me ether, 3-O-?-D-glucopyranoside, 26-O-?-D-glucopyranoside 	C40H68O14	772.460906	NA	MeJP	NA	NA
+MJ093955	Furostane-3,22,26-triol, 22-Me ether, 3,26-di-O-?-D-glucopyranoside 	C40H68O14	772.460906	NA	MeJP	NA	NA
+MJ093956	Antibiotic RF 2691B 	C41H64N4O10	772.462244	NA	MeJP	NA	NA
+PJ031821	LLLQMR 	C34H64N10O8S	772.463	NA	PeJP	NA	NA
+PJ031822	GKKERR 	C31H60N14O9	772.4668	NA	PeJP	NA	NA
+PJ031823	GTLLLKE 	C35H64N8O11	772.4695	NA	PeJP	NA	NA
+PJ031824	GVKKRW 	C36H60N12O7	772.4708	NA	PeJP	NA	NA
+PJ031825	VVLMRR 	C33H64N12O7S	772.4742	NA	PeJP	NA	NA
+PJ031826	GTKRRR 	C30H60N16O8	772.478	NA	PeJP	NA	NA
+PJ031827	GTTLLLR 	C34H64N10O10	772.4807	NA	PeJP	NA	NA
+PJ031828	KKRRW 	C35H60N14O6	772.4821	NA	PeJP	NA	NA
+PJ031829	TLLLKW 	C39H64N8O8	772.4847	NA	PeJP	NA	NA
+PJ031830	GPVLLKF 	C39H64N8O8	772.4848	NA	PeJP	NA	NA
+PJ031831	GVLLLKM 	C36H68N8O8S	772.4881	NA	PeJP	NA	NA
+MJ093957	19'-Hydroxyfucoxanthin; 19'-Hexanoyl 	C48H68O8	772.491419	NA	MeJP	NA	NA
+PJ031832	VDKKKR 	C33H64N12O9	772.492	NA	PeJP	NA	NA
+MJ093958	Nephilatoxin 7 	C38H64N10O7	772.495944	NA	MeJP	NA	NA
+PJ031833	ALKKKW 	C38H64N10O7	772.496	NA	PeJP	NA	NA
+PJ031834	LLLKMR 	C35H68N10O7S	772.4993	NA	PeJP	NA	NA
+PJ031835	SVKKRR 	C32H64N14O8	772.5032	NA	PeJP	NA	NA
+PJ031836	SSLLLLK 	C36H68N8O10	772.5059	NA	PeJP	NA	NA
+PJ031837	LKKKKE 	C35H68N10O9	772.5171	NA	PeJP	NA	NA
+HMDB10578	PG(16:0/20:3(5Z,8Z,11Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10579	PG(16:0/20:3(8Z,11Z,14Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10606	PG(18:0/18:3(6Z,9Z,12Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10607	PG(18:0/18:3(9Z,12Z,15Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10620	PG(18:1(11Z)/18:2(9Z,12Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10635	PG(18:1(9Z)/18:2(9Z,12Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10648	PG(18:2(9Z,12Z)/18:1(11Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10649	PG(18:2(9Z,12Z)/18:1(9Z))	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10662	PG(18:3(6Z,9Z,12Z)/18:0)	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+HMDB10677	PG(18:3(9Z,12Z,15Z)/18:0)	C42H77O10P	772.525452	NA	HMDB2010	NA	NA
+PJ031838	TLKKKR 	C34H68N12O8	772.5283	NA	PeJP	NA	NA
+EUR1101	SM(d18:1/22:0) [M-H-CH3]-	C45H91N2O6P	772.645826	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1101	SM(d18:1/22:0) [M-H-CH3]-	C45H91N2O6P	772.645826	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1101	SM(d18:1/22:0) [M-H-CH3]-	C45H91N2O6P	772.645826	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1101	SM(d18:1/22:0) [M-H-CH3]-	C45H91N2O6P	772.645826	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093959	Glycinoprenol 11 	C55H96O	772.746117	NA	MeJP	NA	NA
+C13746	Reactive blue 2	C29H20ClN7O11S3	773.0071	NA	KEGG	NA	NA
+PJ031839	CCCCCCH 	C24H39N9O8S6	773.1246	NA	PeJP	NA	NA
+PJ031840	CCCCNND 	C24H39N9O12S4	773.1601	NA	PeJP	NA	NA
+PJ031841	SCCCDDE 	C25H39N7O15S3	773.1667	NA	PeJP	NA	NA
+PJ031842	PCCCCDM 	C26H43N7O10S5	773.1675	NA	PeJP	NA	NA
+MJ093960	Coenzyme F420 	C29H36N5O18P	773.179295	NA	MeJP	NA	NA
+MetaCyc04123	reduced coenzyme &gamma;-F420-2 [reduced factor F420;]	C29H36N5O18P1	773.179296	NA	metacyc	NA	NA
+MetaCyc04124	factor  &gamma;-F420-2 [coenzyme &gamma;-F420-2;coenzyme F420-2;]	C29H36N5O18P1	773.179296	64885-97-8	metacyc	NA	NA
+MetaCyc04125	factor F420-0 [coenzyme F420-0;]	C29H36N5O18P1	773.179296	NA	metacyc	NA	NA
+C00876	Coenzyme F420	C29H36N5O18P	773.1793	NA	KEGG	NA	NA
+PJ031843	GCCDDMM 	C26H43N7O12S4	773.1853	NA	PeJP	NA	NA
+C16351	Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)	C36H37O19	773.1929	NA	KEGG	NA	NA
+C16372	Cyanidin 3-glucoside 5-caffeoylglucoside	C36H37O19	773.1929	NA	KEGG	NA	NA
+FL7AACGL0050	Cyanidin 3-(6''-caffeylglucoside)-5-glucoside	C36H37O19	773.1929	68341-44-6	knapsack	NA	NA
+FL7AACGL0051	Gentiocyanin A;Cyanidin 3-glucoside-5-(6-caffeoylglucoside)	C36H37O19	773.1929	170663-59-9	knapsack	NA	NA
+FL7AACGL0058	Cyanidin 3-glucoside-3'-(6''-caffeylglucoside)	C36H37O19	773.1929	150070-20-5	knapsack	NA	NA
+FL7AACGL0104	Cyanidin 3-(2-glucosyl-6-caffeoylglucoside)	C36H37O19	773.1929	215227-67-1	knapsack	NA	NA
+FL7AAGGA0007	Delphinidn 3-galactoside-5-(6''-(E)-p-coumarylglucoside)	C36H37O19	773.1929	151676-97-0	knapsack	NA	NA
+FL7AAGGL0021	Awobanin;Delphinidin-3-(6-O-p-coumarylglucoside)-5-glucoside	C36H37O19	773.1929	64615-55-0<BR>136031-06-6	knapsack	NA	NA
+FL7AAGGL0069	Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside)	C36H37O19	773.1929	178737-74-1	knapsack	NA	NA
+MetaCyc04126	shisonin []	C36H37O19	773.192904	NA	metacyc	NA	NA
+PJ031844	SCCCNNM 	C25H43N9O11S4	773.1965	NA	PeJP	NA	NA
+PJ031845	GCCDDDF 	C29H39N7O14S2	773.1997	NA	PeJP	NA	NA
+PJ031846	CCCEMW 	C30H43N7O9S4	773.2005	NA	PeJP	NA	NA
+PJ031847	SSCCDEM 	C26H43N7O14S3	773.203	NA	PeJP	NA	NA
+PJ031848	SPCCCMM 	C27H47N7O9S5	773.2039	NA	PeJP	NA	NA
+PJ031849	GCCCDHH 	C27H39N11O10S3	773.2044	NA	PeJP	NA	NA
+C08629	Cyanidin 3,5,3'-tri-O-glucoside	C33H41O21	773.214	NA	KEGG	NA	NA
+FL7AACGL0003	Cyanidin 3,5,3'-triglucoside	C33H41O21	773.21403	88110-66-1	knapsack	NA	NA
+FL7AACGL0018	Cyanidin 3-sophoroside-5-glucoside	C33H41O21	773.21403	47888-56-2<BR>16727-02-9	knapsack	NA	NA
+FL7AAGGA0004	Delphinidin 3-robinobioside-5-glucoside	C33H41O21	773.21403	107596-92-9	knapsack	NA	NA
+FL7AAGGL0012	Delphinidin 3-rutinoside-5-glucoside	C33H41O21	773.21403	29837-24-9	knapsack	NA	NA
+FL7AAGGL0013	Bisdeacylplatyconin;Delphinidin 3-rutinoside-7-glucoside	C33H41O21	773.21403	87256-70-0<BR>190317-75-0	knapsack	NA	NA
+PJ031850	GSSSCCCQ 	C25H43N9O13S3	773.2143	NA	PeJP	NA	NA
+PJ031851	GSCDDDY 	C29H39N7O16S	773.2174	NA	PeJP	NA	NA
+PJ031852	GPCCCEY 	C30H43N7O11S3	773.2183	NA	PeJP	NA	NA
+PJ031853	GSCDMMM 	C27H47N7O11S4	773.2217	NA	PeJP	NA	NA
+MJ093961	Storniamide D; 3'''-Deoxy 	C42H35N3O12	773.222073	NA	MeJP	NA	NA
+MJ093962	Storniamide D; 3'-Deoxy 	C42H35N3O12	773.222073	NA	MeJP	NA	NA
+PJ031854	GCCCNQF 	C29H43N9O10S3	773.2295	NA	PeJP	NA	NA
+PJ031855	GGGGACCCF 	C29H43N9O10S3	773.2296	NA	PeJP	NA	NA
+PJ031856	SSSSSCCN 	C25H43N9O15S2	773.232	NA	PeJP	NA	NA
+PJ031857	SCCCCQK 	C26H47N9O10S4	773.2329	NA	PeJP	NA	NA
+PJ031858	PCCCYW 	C34H43N7O8S3	773.2336	NA	PeJP	NA	NA
+PJ031859	SSPCCDY 	C30H43N7O13S2	773.236	NA	PeJP	NA	NA
+PJ031860	CNDEMY 	C30H43N7O13S2	773.2361	NA	PeJP	NA	NA
+PJ031861	TCCMMW 	C31H47N7O8S4	773.2369	NA	PeJP	NA	NA
+PJ031862	SSSCEMM 	C27H47N7O13S3	773.2394	NA	PeJP	NA	NA
+PJ031863	GCNNDDH 	C27H39N11O14S	773.2399	NA	PeJP	NA	NA
+PJ031864	CQMMMM 	C28H51N7O8S5	773.2403	NA	PeJP	NA	NA
+PJ031865	GSCCMHH 	C28H43N11O9S3	773.2408	NA	PeJP	NA	NA
+PJ031866	GSDDDEH 	C28H39N9O17	773.2464	NA	PeJP	NA	NA
+PJ031867	CCDDRY 	C29H43N9O12S2	773.2473	NA	PeJP	NA	NA
+PJ031868	GSSSCCCK 	C26H47N9O12S3	773.2507	NA	PeJP	NA	NA
+PJ031869	GCDMYW 	C34H43N7O10S2	773.2513	NA	PeJP	NA	NA
+PJ031870	CCMMMR 	C27H51N9O7S5	773.2515	NA	PeJP	NA	NA
+PJ031871	GSSDDMY 	C30H43N7O15S	773.2538	NA	PeJP	NA	NA
+PJ031872	GPTCCMY 	C31H47N7O10S3	773.2547	NA	PeJP	NA	NA
+PJ031873	GTTCMMM 	C28H51N7O10S4	773.258	NA	PeJP	NA	NA
+PJ031874	GSSMMMM 	C28H51N7O10S4	773.2581	NA	PeJP	NA	NA
+PJ031875	SSTCCHH 	C28H43N11O11S2	773.2585	NA	PeJP	NA	NA
+PJ031876	SDDDHW 	C32H39N9O14	773.2617	NA	PeJP	NA	NA
+MJ093963	Pressinamide 	C33H43N9O9S2	773.262515	NA	MeJP	NA	NA
+PJ031877	PCCEHW 	C33H43N9O9S2	773.2626	NA	PeJP	NA	NA
+PJ031878	SSSCNNY 	C29H43N9O14S	773.265	NA	PeJP	NA	NA
+PJ031879	GGGGSSSCY 	C29H43N9O14S	773.2651	NA	PeJP	NA	NA
+PJ031880	CCDMFR 	C30H47N9O9S3	773.2659	NA	PeJP	NA	NA
+PJ031881	SSCEYW 	C34H43N7O12S	773.2691	NA	PeJP	NA	NA
+PJ031882	SCCCCKK 	C27H51N9O9S4	773.2693	NA	PeJP	NA	NA
+PJ031883	GCMMFW 	C35H47N7O7S3	773.2699	NA	PeJP	NA	NA
+PJ031884	SSSSDEY 	C30H43N7O17	773.2716	NA	PeJP	NA	NA
+PJ031885	SNEMMY 	C31H47N7O12S2	773.2724	NA	PeJP	NA	NA
+PJ031886	PPPCDDM 	C31H47N7O12S2	773.2725	NA	PeJP	NA	NA
+PJ031887	CYYYY 	C39H43N5O10S	773.2731	NA	PeJP	NA	NA
+PJ031888	CCQHHF 	C32H43N11O8S2	773.2738	NA	PeJP	NA	NA
+PJ031889	SSSTMMM 	C28H51N7O12S3	773.2758	NA	PeJP	NA	NA
+PJ031890	CDDEHR 	C28H43N11O13S	773.2763	NA	PeJP	NA	NA
+PJ031891	CKMMMM 	C29H55N7O7S5	773.2767	NA	PeJP	NA	NA
+PJ031892	GDEMHW 	C33H43N9O11S	773.2803	NA	PeJP	NA	NA
+PJ031893	GSSEEEH 	C29H43N9O16	773.2828	NA	PeJP	NA	NA
+PJ031894	SCDMRY 	C30H47N9O11S2	773.2837	NA	PeJP	NA	NA
+PJ031895	NDDHHH 	C30H39N13O12	773.2842	NA	PeJP	NA	NA
+PJ031896	GCDFFW 	C38H43N7O9S	773.2843	NA	PeJP	NA	NA
+PJ031897	GNEEYY 	C34H43N7O14	773.2868	NA	PeJP	NA	NA
+PJ031898	GSMMYW 	C35H47N7O9S2	773.2877	NA	PeJP	NA	NA
+PJ031899	GSSTEMY 	C31H47N7O14S	773.2902	NA	PeJP	NA	NA
+PJ031900	AQMMMY 	C32H51N7O9S3	773.2911	NA	PeJP	NA	NA
+PJ031901	SCNQHW 	C32H43N11O10S	773.2915	NA	PeJP	NA	NA
+PJ031902	GGGGTCHW 	C32H43N11O10S	773.2916	NA	PeJP	NA	NA
+PJ031903	SSSNNEH 	C28H43N11O15	773.294	NA	PeJP	NA	NA
+PJ031904	GGGGSSSEH 	C28H43N11O15	773.2941	NA	PeJP	NA	NA
+PJ031905	NNQMMH 	C29H47N11O10S2	773.2949	NA	PeJP	NA	NA
+PJ031906	DMHWW 	C37H43N9O8S	773.2956	NA	PeJP	NA	NA
+PJ031907	SNNNYY 	C33H43N9O13	773.298	NA	PeJP	NA	NA
+PJ031908	SSEEHW 	C33H43N9O13	773.2981	NA	PeJP	NA	NA
+PJ031909	PTCMHW 	C34H47N9O8S2	773.2989	NA	PeJP	NA	NA
+PJ031910	TQEEMH 	C30H47N9O13S	773.3014	NA	PeJP	NA	NA
+PJ031911	GGGGSPPDM 	C30H47N9O13S	773.3015	NA	PeJP	NA	NA
+PJ031912	NEYYW 	C38H43N7O11	773.3021	NA	PeJP	NA	NA
+PJ031913	ACMMRY 	C31H51N9O8S3	773.3023	NA	PeJP	NA	NA
+PJ031914	GSPCHHH 	C31H43N13O9S	773.3028	NA	PeJP	NA	NA
+PJ031915	GNNNNNQ 	C27H43N13O14	773.3053	NA	PeJP	NA	NA
+PJ031916	SSTMYW 	C35H47N7O11S	773.3054	NA	PeJP	NA	NA
+PJ031917	PPDEMW 	C35H47N7O11S	773.3055	NA	PeJP	NA	NA
+PJ031918	CNNMHR 	C28H47N13O9S2	773.3061	NA	PeJP	NA	NA
+PJ031919	GGCNMHR 	C28H47N13O9S2	773.3062	NA	PeJP	NA	NA
+PJ031920	SSSTTEY 	C31H47N7O16	773.3079	NA	PeJP	NA	NA
+PJ031921	AAPEEEE 	C31H47N7O16	773.308	NA	PeJP	NA	NA
+PJ031922	SDKMMY 	C32H51N7O11S2	773.3088	NA	PeJP	NA	NA
+PJ031923	GSSSNHW 	C32H43N11O12	773.3093	NA	PeJP	NA	NA
+PJ031924	CCKHHF 	C33H47N11O7S2	773.3102	NA	PeJP	NA	NA
+PJ031925	SDEMHR 	C29H47N11O12S	773.3127	NA	PeJP	NA	NA
+PJ031926	GPNDWW 	C37H43N9O10	773.3133	NA	PeJP	NA	NA
+PJ031927	PCMMHR 	C30H51N11O7S3	773.3135	NA	PeJP	NA	NA
+PJ031928	ATEMHW 	C34H47N9O10S	773.3167	NA	PeJP	NA	NA
+PJ031929	GYYWW 	C42H43N7O8	773.3173	NA	PeJP	NA	NA
+7452	coeliac toxic peptide	ESQQSQQDEPQPF	773.31845	MH2+	Inhouse_peptide	NA	peptide
+7453	coeliac toxic peptide	FPQPEDQQSQQSE	773.31845	MH2+	Inhouse_peptide	NA	peptide
+PJ031930	PDEEER 	C30H47N9O15	773.3192	NA	PeJP	NA	NA
+PJ031931	SSMMRY 	C31H51N9O10S2	773.3201	NA	PeJP	NA	NA
+PJ031932	SQEHHH 	C31H43N13O11	773.3205	NA	PeJP	NA	NA
+PJ031933	QMFYW 	C39H47N7O8S	773.3207	NA	PeJP	NA	NA
+PJ031934	PVDEEW 	C35H47N7O13	773.3232	NA	PeJP	NA	NA
+PJ031935	GSSCQHR 	C28H47N13O11S	773.3239	NA	PeJP	NA	NA
+PJ031936	AQMMFF 	C36H51N7O8S2	773.3241	NA	PeJP	NA	NA
+PJ031937	GNNHFW 	C36H43N11O9	773.3246	NA	PeJP	NA	NA
+3716	NA	YPFGFSG	773.325	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ093964	Antibiotic YL 01641P-B2; 1-Deoxy, 4-Me ether, 9-Ac 	C39H51NO15	773.325869	NA	MeJP	NA	NA
+PJ031938	SSSSLMY 	C32H51N7O13S	773.3266	NA	PeJP	NA	NA
+PJ031939	AKMMMY 	C33H55N7O8S3	773.3274	NA	PeJP	NA	NA
+PJ031940	VCKMMY 	C33H55N7O8S3	773.3275	NA	PeJP	NA	NA
+PJ031941	SCNKHW 	C33H47N11O9S	773.3279	NA	PeJP	NA	NA
+PJ031942	GSPNDER 	C29H47N11O14	773.3304	NA	PeJP	NA	NA
+PJ031943	GGGGGGGVQE 	C29H47N11O14	773.3305	NA	PeJP	NA	NA
+PJ031944	AEMMHR 	C30H51N11O9S2	773.3313	NA	PeJP	NA	NA
+PJ031945	CFRYW 	C38H47N9O7S	773.3319	NA	PeJP	NA	NA
+PJ031946	GPMHFW 	C38H47N9O7S	773.332	NA	PeJP	NA	NA
+PJ031947	TTTEHW 	C34H47N9O12	773.3344	NA	PeJP	NA	NA
+PJ031948	GGGAPTEW 	C34H47N9O12	773.3345	NA	PeJP	NA	NA
+PJ031949	GLMMHW 	C35H51N9O7S2	773.3353	NA	PeJP	NA	NA
+PJ031950	GTHHHW 	C35H43N13O8	773.3358	NA	PeJP	NA	NA
+PJ031951	TKEEMH 	C31H51N9O12S	773.3378	NA	PeJP	NA	NA
+PJ031952	DKYYW 	C39H47N7O10	773.3385	NA	PeJP	NA	NA
+PJ031953	PKMMMH 	C32H55N9O7S3	773.3387	NA	PeJP	NA	NA
+PJ031954	VNMHHH 	C32H47N13O8S	773.3392	NA	PeJP	NA	NA
+PJ031955	SSSSNHR 	C28H47N13O13	773.3416	NA	PeJP	NA	NA
+PJ031956	GGSSSSHR 	C28H47N13O13	773.3417	NA	PeJP	NA	NA
+PJ031957	GLQMYY 	C36H51N7O10S	773.3418	NA	PeJP	NA	NA
+PJ031958	CCQKHR 	C29H51N13O8S2	773.3425	NA	PeJP	NA	NA
+PJ031959	STTTTTY 	C32H51N7O15	773.3443	NA	PeJP	NA	NA
+PJ031960	ASPLEEE 	C32H51N7O15	773.3444	NA	PeJP	NA	NA
+PJ031961	TTKMMY 	C33H55N7O10S2	773.3452	NA	PeJP	NA	NA
+PJ031962	SPNDRW 	C33H47N11O11	773.3457	NA	PeJP	NA	NA
+PJ031963	SSPPCQR 	C30H51N11O11S	773.349	NA	PeJP	NA	NA
+PJ031964	TTEMHR 	C30H51N11O11S	773.3491	NA	PeJP	NA	NA
+PJ031965	GPTQWW 	C38H47N9O9	773.3497	NA	PeJP	NA	NA
+PJ031966	GMHHHR 	C31H47N15O7S	773.3504	NA	PeJP	NA	NA
+PJ031967	STLMHW 	C35H51N9O9S	773.3531	NA	PeJP	NA	NA
+PJ031968	QFFFW 	C43H47N7O7	773.3537	NA	PeJP	NA	NA
+PJ031969	SSTTLEH 	C31H51N9O14	773.3556	NA	PeJP	NA	NA
+PJ031970	ASCLLMH 	C32H55N9O9S2	773.3564	NA	PeJP	NA	NA
+PJ031971	VKEMMH 	C32H55N9O9S2	773.3565	NA	PeJP	NA	NA
+PJ031972	GNNQRW 	C32H47N13O10	773.3569	NA	PeJP	NA	NA
+3565	NA	SQPQAFP	773.357	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ031973	KMFYW 	C40H51N7O7S	773.3571	NA	PeJP	NA	NA
+PJ031974	PTLEEW 	C36H51N7O12	773.3596	NA	PeJP	NA	NA
+PJ031975	PCNERR 	C29H51N13O10S	773.3603	NA	PeJP	NA	NA
+PJ031976	PPLMMW 	C37H55N7O7S2	773.3605	NA	PeJP	NA	NA
+PJ031977	EHFRW 	C37H47N11O8	773.3609	NA	PeJP	NA	NA
+MJ093965	4-Methylaconitane-1,3,6,8,13,14,16,18-octol, O1,O6,O16,O18-Tetra-Me, N-Et, 14-O-(3,4-dimethoxybenzoyl), 3,8,13-tri-Ac 	C40H55NO14	773.362255	NA	MeJP	NA	NA
+PJ031978	GPVLEEM 	C33H55N7O12S	773.363	NA	PeJP	NA	NA
+PJ031979	GPQMRW 	C34H51N11O8S	773.3643	NA	PeJP	NA	NA
+PJ031980	VHFWW 	C42H47N9O6	773.365	NA	PeJP	NA	NA
+PJ031981	VNQEER 	C30H51N11O13	773.3668	NA	PeJP	NA	NA
+PJ031982	SLMMHR 	C31H55N11O8S2	773.3677	NA	PeJP	NA	NA
+PJ031983	STHHHR 	C31H47N15O9	773.3681	NA	PeJP	NA	NA
+PJ031984	PNNHHR 	C31H47N15O9	773.3682	NA	PeJP	NA	NA
+PJ031985	SPQKEW 	C35H51N9O11	773.3708	NA	PeJP	NA	NA
+PJ031986	GGGGVLEW 	C35H51N9O11	773.3709	NA	PeJP	NA	NA
+PJ031987	PLEEMR 	C32H55N9O11S	773.3742	NA	PeJP	NA	NA
+PJ031988	PPVEFW 	C40H51N7O9	773.3749	NA	PeJP	NA	NA
+PJ031989	GPCRRW 	C33H51N13O7S	773.3756	NA	PeJP	NA	NA
+PJ031990	NNNKER 	C29H51N13O12	773.378	NA	PeJP	NA	NA
+PJ031991	GQEERR 	C29H51N13O12	773.3781	NA	PeJP	NA	NA
+PJ031992	PVLEMW 	C37H55N7O9S	773.3782	NA	PeJP	NA	NA
+PJ031993	CCKKHR 	C30H55N13O7S2	773.3789	NA	PeJP	NA	NA
+PJ031994	AALLEEE 	C33H55N7O14	773.3807	NA	PeJP	NA	NA
+PJ031995	SPPVLMM 	C34H59N7O9S2	773.3816	NA	PeJP	NA	NA
+PJ031996	GVQERW 	C34H51N11O10	773.3821	NA	PeJP	NA	NA
+MJ093966	Carboxymycobactins; Carboxymycobactin 3 	C38H55N5O12	773.384722	NA	MeJP	NA	NA
+PJ031997	PNKEMR 	C31H55N11O10S	773.3854	NA	PeJP	NA	NA
+PJ031998	GGGSPLMR 	C31H55N11O10S	773.3855	NA	PeJP	NA	NA
+PJ031999	GPTKWW 	C39H51N9O8	773.3861	NA	PeJP	NA	NA
+PJ032000	GDDRRR 	C28H51N15O11	773.3893	NA	PeJP	NA	NA
+PJ032001	PVNKMW 	C36H55N9O8S	773.3895	NA	PeJP	NA	NA
+PJ032002	KFFFW 	C44H51N7O6	773.3901	NA	PeJP	NA	NA
+PJ032003	TTTTTLH 	C32H55N9O13	773.3919	NA	PeJP	NA	NA
+PJ032004	VLEEER 	C32H55N9O13	773.392	NA	PeJP	NA	NA
+PJ032005	APPCKKM 	C33H59N9O8S2	773.3928	NA	PeJP	NA	NA
+PJ032006	QERRW 	C33H51N13O9	773.3933	NA	PeJP	NA	NA
+PJ032007	VVLEEW 	C37H55N7O11	773.396	NA	PeJP	NA	NA
+PJ032008	SPQMRR 	C30H55N13O9S	773.3967	NA	PeJP	NA	NA
+PJ032009	VQRWW 	C38H51N11O7	773.3973	NA	PeJP	NA	NA
+PJ032010	APTLLEM 	C34H59N7O11S	773.3994	NA	PeJP	NA	NA
+19	Troponin C	KMLGQTP	773.4	celiac toxic	Inhouse_peptide	NA	peptide
+PJ032011	GPKMRW 	C35H55N11O7S	773.4007	NA	PeJP	NA	NA
+PJ032012	VNKEER 	C31H55N11O12	773.4032	NA	PeJP	NA	NA
+PJ032013	CKKKMH 	C32H59N11O7S2	773.4041	NA	PeJP	NA	NA
+PJ032014	SPKKEW 	C36H55N9O10	773.4072	NA	PeJP	NA	NA
+PJ032015	SPCRRR 	C29H55N15O8S	773.4079	NA	PeJP	NA	NA
+PJ032016	ARRWW 	C37H51N13O6	773.4086	NA	PeJP	NA	NA
+PJ032017	AAPKKEM 	C33H59N9O10S	773.4106	NA	PeJP	NA	NA
+PJ032018	PPVLYW 	C41H55N7O8	773.4112	NA	PeJP	NA	NA
+PJ032019	GKEERR 	C30H55N13O11	773.4144	NA	PeJP	NA	NA
+PJ032020	GGGGDKKR 	C30H55N13O11	773.4145	NA	PeJP	NA	NA
+PJ032021	GPPLLMF 	C38H59N7O8S	773.4146	NA	PeJP	NA	NA
+PJ032022	GTLLLEE 	C34H59N7O13	773.4171	NA	PeJP	NA	NA
+PJ032023	GPLLLMM 	C35H63N7O8S2	773.418	NA	PeJP	NA	NA
+PJ032024	SPTKRW 	C35H55N11O9	773.4184	NA	PeJP	NA	NA
+PJ032025	GVKERW 	C35H55N11O9	773.4185	NA	PeJP	NA	NA
+MJ093967	Leucomycin V; 14-Hydroxy, O3-propanoyl 	C38H63NO15	773.41977	NA	MeJP	NA	NA
+3020	kinases inhibitor	KKALRRQEAVDAY	773.42145	MH2+	Inhouse_peptide	NA	peptide
+3026	kinases inhibitor	KKAYRRQEAVDAL	773.42145	MH2+	Inhouse_peptide	NA	peptide
+PJ032026	PDKKMR 	C32H59N11O9S	773.4218	NA	PeJP	NA	NA
+PJ032027	AALKWW 	C40H55N9O7	773.4225	NA	PeJP	NA	NA
+PJ032028	GTERRR 	C29H55N15O10	773.4257	NA	PeJP	NA	NA
+PJ032029	PCLKKW 	C37H59N9O7S	773.4259	NA	PeJP	NA	NA
+PJ032030	APTTKKE 	C33H59N9O12	773.4283	NA	PeJP	NA	NA
+PJ032031	LQKKEE 	C33H59N9O12	773.4284	NA	PeJP	NA	NA
+PJ032032	KERRW 	C34H55N13O8	773.4297	NA	PeJP	NA	NA
+PJ032033	TLLLEW 	C38H59N7O10	773.4324	NA	PeJP	NA	NA
+PJ032034	SPKMRR 	C31H59N13O8S	773.4331	NA	PeJP	NA	NA
+PJ032035	VKRWW 	C39H55N11O6	773.4337	NA	PeJP	NA	NA
+PJ032036	VVVVVEM 	C35H63N7O10S	773.4357	NA	PeJP	NA	NA
+PJ032037	GVLLLEM 	C35H63N7O10S	773.4358	NA	PeJP	NA	NA
+PJ032038	VDKKER 	C32H59N11O11	773.4396	NA	PeJP	NA	NA
+PJ032039	TRRRW 	C33H55N15O7	773.4409	NA	PeJP	NA	NA
+PJ032040	ALKKEW 	C37H59N9O9	773.4436	NA	PeJP	NA	NA
+PJ032041	GVMRRR 	C30H59N15O7S	773.4443	NA	PeJP	NA	NA
+PJ032042	LLLEMR 	C34H63N9O9S	773.447	NA	PeJP	NA	NA
+PJ032043	PVLLFW 	C42H59N7O7	773.4476	NA	PeJP	NA	NA
+PJ032044	SVKERR 	C31H59N13O10	773.4508	NA	PeJP	NA	NA
+PJ032045	VLLLMW 	C39H63N7O7S	773.451	NA	PeJP	NA	NA
+PJ032046	SSLLLLE 	C35H63N7O12	773.4535	NA	PeJP	NA	NA
+PJ032047	ATLKRW 	C36H59N11O8	773.4548	NA	PeJP	NA	NA
+PJ032048	GGAKKKW 	C36H59N11O8	773.4549	NA	PeJP	NA	NA
+PJ032049	MRRRR 	C29H59N17O6S	773.4555	NA	PeJP	NA	NA
+MJ093968	Tylosin B; 20-Alcohol 	C39H67NO14	773.456155	NA	MeJP	NA	NA
+PJ032050	VLQKMR 	C33H63N11O8S	773.4582	NA	PeJP	NA	NA
+PJ032051	SSLRRR 	C30H59N15O9	773.4621	NA	PeJP	NA	NA
+PJ032052	LKKKEE 	C34H63N9O11	773.4647	NA	PeJP	NA	NA
+MJ093969	ACE inhibitor peptide C 105 	C34H63N9O11	773.464703	NA	MeJP	NA	NA
+PJ032053	APKFRR 	C35H59N13O7	773.4661	NA	PeJP	NA	NA
+PJ032054	GPVLLLY 	C39H63N7O9	773.4688	NA	PeJP	NA	NA
+PJ032055	ALKMRR 	C32H63N13O7S	773.4695	NA	PeJP	NA	NA
+PJ032056	ATLLLLM 	C36H67N7O9S	773.4721	NA	PeJP	NA	NA
+PJ032057	TLKKER 	C33H63N11O10	773.476	NA	PeJP	NA	NA
+PJ032058	SLLKKW 	C38H63N9O8	773.48	NA	PeJP	NA	NA
+PJ032059	AALLKKM 	C35H67N9O8S	773.4834	NA	PeJP	NA	NA
+PJ032060	TTLKRR 	C32H63N13O9	773.4872	NA	PeJP	NA	NA
+PJ032061	TTTLLLL 	C36H67N7O11	773.4899	NA	PeJP	NA	NA
+PJ032062	GKKKKW 	C37H63N11O7	773.4912	NA	PeJP	NA	NA
+MJ093970	Dolastatin 17 	C41H67N5O9	773.493878	NA	MeJP	NA	NA
+PJ032063	VLKKMR 	C34H67N11O7S	773.4946	NA	PeJP	NA	NA
+HMDB08240	PC(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	C44H72NO8P	773.499573	NA	HMDB2010	NA	NA
+PJ032064	ATTLLKK 	C35H67N9O10	773.5011	NA	PeJP	NA	NA
+PJ032065	AVVLLLF 	C40H67N7O8	773.5051	NA	PeJP	NA	NA
+PJ032066	GVLLLLF 	C40H67N7O8	773.5052	NA	PeJP	NA	NA
+PJ032067	DKKKKK 	C34H67N11O9	773.5124	NA	PeJP	NA	NA
+PJ032068	LLLLFR 	C39H67N9O7	773.5164	NA	PeJP	NA	NA
+PJ032069	SKKKKR 	C33H67N13O8	773.5236	NA	PeJP	NA	NA
+HMDB09710	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	C45H76NO7P	773.53595	NA	HMDB2010	NA	NA
+HMDB09711	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	C45H76NO7P	773.53595	NA	HMDB2010	NA	NA
+HMDB11427	PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H76NO7P	773.53595	NA	HMDB2010	NA	NA
+HMDB11460	PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H76NO7P	773.53595	NA	HMDB2010	NA	NA
+MJ093971	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-(6-Amino-6-deoxy-?-D-glucopyranoside) 	C45H75NO9	773.544183	NA	MeJP	NA	NA
+HMDB05331	GPEtn(18:0/20:1(11Z))	C43H84NO8P	773.59344	http://www.hmdb.ca/metabolites/HMDB05331	HMDB	NA	NA
+HMDB05338	GPEtn(20:0/18:1(11Z))	C43H84NO8P	773.59344	http://www.hmdb.ca/metabolites/HMDB05338	HMDB	NA	NA
+HMDB05339	GPEtn(20:0/18:1(9Z))	C43H84NO8P	773.59344	http://www.hmdb.ca/metabolites/HMDB05339	HMDB	NA	NA
+HMDB05346	GPEtn(18:1(9Z)/20:0)	C43H84NO8P	773.59344	http://www.hmdb.ca/metabolites/HMDB05346	HMDB	NA	NA
+HMDB05331	GPEtn(18:0/20:1(11Z))	C43H84NO8P	773.59344	HMDB05331	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05338	GPEtn(20:0/18:1(11Z))	C43H84NO8P	773.59344	HMDB05338	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05339	GPEtn(20:0/18:1(9Z))	C43H84NO8P	773.59344	HMDB05339	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05346	GPEtn(18:1(9Z)/20:0)	C43H84NO8P	773.59344	HMDB05346	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07945	PC(15:0/20:1(11Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB08297	PC(20:1(11Z)/15:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB08849	PE(14:0/24:1(15Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB08881	PE(14:1(9Z)/24:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB08941	PE(16:0/22:1(13Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB08973	PE(16:1(9Z)/22:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB08999	PE(18:0/20:1(11Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09031	PE(18:1(11Z)/20:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09064	PE(18:1(9Z)/20:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09223	PE(20:0/18:1(11Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09224	PE(20:0/18:1(9Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09255	PE(20:1(11Z)/18:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09485	PE(22:0/16:1(9Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09517	PE(22:1(13Z)/16:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09713	PE(24:0/14:1(9Z))	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+HMDB09745	PE(24:1(15Z)/14:0)	C43H84NO8P	773.593445	NA	HMDB2010	NA	NA
+EUR961	PC 36:1 [M-H-CH3]-	C44H86NO8P	773.593457	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR961	PC 36:1 [M-H-CH3]-	C44H86NO8P	773.593457	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR961	PC 36:1 [M-H-CH3]-	C44H86NO8P	773.593457	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR961	PC 36:1 [M-H-CH3]-	C44H86NO8P	773.593457	masses lipides attendues	Inhousejuil11	NA	NA
+MJ093972	Asteriacerebroside D 	C43H83NO10	773.601697	NA	MeJP	NA	NA
+MJ093973	Astrocerebrosides; Astrocerebroside A 	C43H83NO10	773.601697	NA	MeJP	NA	NA
+HMDB08061	PC(18:0/P-18:0)	C44H88NO7P	773.629822	NA	HMDB2010	NA	NA
+HMDB08291	PC(20:0/P-16:0)	C44H88NO7P	773.629822	NA	HMDB2010	NA	NA
+HMDB11215	PC(P-16:0/20:0)	C44H88NO7P	773.629822	NA	HMDB2010	NA	NA
+HMDB11241	PC(P-18:0/18:0)	C44H88NO7P	773.629822	NA	HMDB2010	NA	NA
+HMDB13414	PC(o-16:1(9Z)/20:0)	C44H88NO7P	773.629822	NA	HMDB2010	NA	NA
+HMDB13427	PC(o-18:1(9Z)/18:0)	C44H88NO7P	773.629822	NA	HMDB2010	NA	NA
+MJ093974	Ageliferin; 2,2'-Dibromo 	C22H22Br4N10O2	773.86607	NA	MeJP	NA	NA
+MJ093975	Sceptrin; 2,2'-Dibromo 	C22H22Br4N10O2	773.86607	NA	MeJP	NA	NA
+MJ093976	6,6'-Bieckol; 8,8'-Dihydroxy 	C36H22O20	774.070443	NA	MeJP	NA	NA
+PJ032070	CCCCNDD 	C24H38N8O13S4	774.1442	NA	PeJP	NA	NA
+PJ032071	GSPCCCCC 	C25H42N8O10S5	774.1628	NA	PeJP	NA	NA
+PJ032072	SCCCNDM 	C25H42N8O12S4	774.1805	NA	PeJP	NA	NA
+MJ093977	Azureomycin; Azureomycin A 	C30H36N3O21	774.18413	NA	MeJP	NA	NA
+PJ032073	GTCCCCW 	C29H42N8O9S4	774.1958	NA	PeJP	NA	NA
+PJ032074	GSSSCCCE 	C25H42N8O14S3	774.1983	NA	PeJP	NA	NA
+PJ032075	GCCCQMM 	C26H46N8O9S5	774.1992	NA	PeJP	NA	NA
+PJ032076	GCCCCMR 	C25H46N10O8S5	774.2104	NA	PeJP	NA	NA
+PJ032077	SSSCCCW 	C29H42N8O11S3	774.2135	NA	PeJP	NA	NA
+PJ032078	GGGCCCEF 	C29H42N8O11S3	774.2136	NA	PeJP	NA	NA
+FL63ACGS0012	Catechin 5-O-(2-feruloyl-6-p-coumaroyl-beta-D-glucopyranoside)	C40H38O16	774.21598	103215-60-7	knapsack	NA	NA
+MJ093978	3,3',4',5,7-Pentahydroxyflavan, 5-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside] 	C40H38O16	774.215985	NA	MeJP	NA	NA
+PJ032079	SSSSSCCD 	C25H42N8O16S2	774.216	NA	PeJP	NA	NA
+PJ032080	SSCCNMM 	C26H46N8O11S4	774.2169	NA	PeJP	NA	NA
+PJ032081	CDDEMY 	C30H42N6O14S2	774.2201	NA	PeJP	NA	NA
+PJ032082	GCNDDDH 	C27H38N10O15S	774.2239	NA	PeJP	NA	NA
+PJ032083	CEMMMM 	C28H50N6O9S5	774.2243	NA	PeJP	NA	NA
+PJ032084	STCCCCR 	C25H46N10O10S4	774.2281	NA	PeJP	NA	NA
+PJ032085	CCCNFW 	C33H42N8O8S3	774.2288	NA	PeJP	NA	NA
+PJ032086	GSCCNEY 	C29H42N8O13S2	774.2313	NA	PeJP	NA	NA
+PJ032087	GSSSTCCM 	C26H46N8O13S3	774.2347	NA	PeJP	NA	NA
+PJ032088	GCCCKMM 	C27H50N8O8S5	774.2356	NA	PeJP	NA	NA
+PJ032089	CDEMMF 	C31H46N6O11S3	774.2387	NA	PeJP	NA	NA
+PJ032090	SPCCNDH 	C28H42N10O12S2	774.2425	NA	PeJP	NA	NA
+PJ032091	GGSPCCDH 	C28H42N10O12S2	774.2426	NA	PeJP	NA	NA
+MJ093979	Neomycin B; N-Diphosphate 	C23H48N6O19P2	774.244946	NA	MeJP	NA	NA
+MJ093980	Neomycin C; N-Diphosphate 	C23H48N6O19P2	774.244946	NA	MeJP	NA	NA
+MJ093981	Pressinoic acid 	C33H42N8O10S2	774.24653	NA	MeJP	NA	NA
+PJ032092	SCCNYW 	C33H42N8O10S2	774.2466	NA	PeJP	NA	NA
+C05927	7,8-Dihydromethanopterin	C30H43N6O16P	774.2473	NA	KEGG	NA	NA
+PJ032093	SSSCNDY 	C29H42N8O15S	774.2491	NA	PeJP	NA	NA
+PJ032094	CNNMMY 	C30H46N8O10S3	774.2499	NA	PeJP	NA	NA
+PJ032095	SSSSSSCM 	C26H46N8O15S2	774.2524	NA	PeJP	NA	NA
+PJ032096	PCDDYY 	C34H42N6O13S	774.2531	NA	PeJP	NA	NA
+PJ032097	STCCCKM 	C27H50N8O10S4	774.2533	NA	PeJP	NA	NA
+PJ032098	GCCNNQH 	C27H42N12O11S2	774.2538	NA	PeJP	NA	NA
+PJ032099	SDEMMY 	C31H46N6O13S2	774.2565	NA	PeJP	NA	NA
+PJ032100	PCMMMY 	C32H50N6O8S4	774.2573	NA	PeJP	NA	NA
+PJ032101	CCEHHF 	C32H42N10O9S2	774.2578	NA	PeJP	NA	NA
+PJ032102	GSNDDMH 	C28H42N10O14S	774.2603	NA	PeJP	NA	NA
+PJ032103	TMMMMM 	C29H54N6O8S5	774.2607	NA	PeJP	NA	NA
+PJ032104	CCCQRY 	C29H46N10O9S3	774.2612	NA	PeJP	NA	NA
+MJ093982	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8-Bis(3-pyridinecarbonyl), 9-benzoyl, 1,6,14-tri-Ac 	C40H42N2O14	774.263604	NA	MeJP	NA	NA
+PJ032105	CNNDFY 	C33H42N8O12S	774.2643	NA	PeJP	NA	NA
+PJ032106	GPNDDEE 	C29H42N8O17	774.2668	NA	PeJP	NA	NA
+PJ032107	GSSCQMY 	C30H46N8O12S2	774.2677	NA	PeJP	NA	NA
+PJ032108	DDDHHH 	C30H38N12O13	774.2682	NA	PeJP	NA	NA
+PJ032109	GDEEYY 	C34H42N6O15	774.2708	NA	PeJP	NA	NA
+PJ032110	SSCNNNH 	C27H42N12O13S	774.2715	NA	PeJP	NA	NA
+PJ032111	GGGGGGSSCH 	C27H42N12O13S	774.2716	NA	PeJP	NA	NA
+PJ032112	PCDMFY 	C35H46N6O10S2	774.2717	NA	PeJP	NA	NA
+PJ032113	GPCCCHR 	C28H46N12O8S3	774.2724	NA	PeJP	NA	NA
+PJ032114	AEMMMY 	C32H50N6O10S3	774.2751	NA	PeJP	NA	NA
+PJ032115	SCNEHW 	C32H42N10O11S	774.2755	NA	PeJP	NA	NA
+PJ032116	GGSCEHW 	C32H42N10O11S	774.2756	NA	PeJP	NA	NA
+PJ032117	SSTNDDH 	C28H42N10O16	774.278	NA	PeJP	NA	NA
+PJ032118	SSSNDEH 	C28H42N10O16	774.2781	NA	PeJP	NA	NA
+PJ032119	GSSCCRY 	C29H46N10O11S2	774.2789	NA	PeJP	NA	NA
+PJ032120	GGGGGAPPCC 	C29H46N10O11S2	774.279	NA	PeJP	NA	NA
+PJ032121	PNDDEW 	C33H42N8O14	774.2821	NA	PeJP	NA	NA
+PJ032122	CNNMFF 	C34H46N8O9S2	774.2829	NA	PeJP	NA	NA
+PJ032123	GGCNMFF 	C34H46N8O9S2	774.283	NA	PeJP	NA	NA
+PJ032124	SSSSNMY 	C30H46N8O14S	774.2854	NA	PeJP	NA	NA
+PJ032125	TEEEMH 	C30H46N8O14S	774.2855	NA	PeJP	NA	NA
+PJ032126	DEYYW 	C38H42N6O12	774.2861	NA	PeJP	NA	NA
+PJ032127	CCQKMY 	C31H50N8O9S3	774.2863	NA	PeJP	NA	NA
+PJ032128	GNNNNNE 	C27H42N12O15	774.2893	NA	PeJP	NA	NA
+PJ032129	SPDMYY 	C35H46N6O12S	774.2895	NA	PeJP	NA	NA
+PJ032130	CNDMHR 	C28H46N12O10S2	774.2902	NA	PeJP	NA	NA
+PJ032131	PCMMFF 	C36H50N6O7S3	774.2903	NA	PeJP	NA	NA
+PJ032132	GSCHWW 	C36H42N10O8S	774.2908	NA	PeJP	NA	NA
+PJ032133	TTEMMY 	C32H50N6O12S2	774.2928	NA	PeJP	NA	NA
+PJ032134	GSSSDHW 	C32H42N10O13	774.2933	NA	PeJP	NA	NA
+PJ032135	CLMMMF 	C33H54N6O7S4	774.2937	NA	PeJP	NA	NA
+PJ032136	GNMMHW 	C33H46N10O8S2	774.2942	NA	PeJP	NA	NA
+PJ032137	GSSQEMH 	C29H46N10O13S	774.2967	NA	PeJP	NA	NA
+PJ032138	GPDDWW 	C37H42N8O11	774.2973	NA	PeJP	NA	NA
+PJ032139	CCCKRY 	C30H50N10O8S3	774.2976	NA	PeJP	NA	NA
+PJ032140	CNQHHH 	C30H42N14O9S	774.298	NA	PeJP	NA	NA
+PJ032141	GSPPCEW 	C34H46N8O11S	774.3007	NA	PeJP	NA	NA
+PJ032142	GSSSSSTY 	C30H46N8O16	774.3032	NA	PeJP	NA	NA
+PJ032143	GSSCKMY 	C31H50N8O11S2	774.3041	NA	PeJP	NA	NA
+PJ032144	NNNNNW 	C31H42N12O12	774.3045	NA	PeJP	NA	NA
+PJ032145	GGGGNNNW 	C31H42N12O12	774.3046	NA	PeJP	NA	NA
+PJ032146	EMFYW 	C39H46N6O9S	774.3047	NA	PeJP	NA	NA
+PJ032147	ACCHRW 	C32H46N12O7S2	774.3054	NA	PeJP	NA	NA
+PJ032148	ATEEYY 	C35H46N6O14	774.3072	NA	PeJP	NA	NA
+PJ032149	GSSCEHR 	C28H46N12O12S	774.3079	NA	PeJP	NA	NA
+PJ032150	APMMYY 	C36H50N6O9S2	774.3081	NA	PeJP	NA	NA
+PJ032151	GNDHFW 	C36H42N10O10	774.3086	NA	PeJP	NA	NA
+PJ032152	SLMMMY 	C33H54N6O9S3	774.3115	NA	PeJP	NA	NA
+PJ032153	SSQMHW 	C33H46N10O10S	774.3119	NA	PeJP	NA	NA
+PJ032154	GGGGPNMW 	C33H46N10O10S	774.312	NA	PeJP	NA	NA
+PJ032155	GSPDDER 	C29H46N10O15	774.3144	NA	PeJP	NA	NA
+PJ032156	GPTDDDR 	C29H46N10O15	774.3145	NA	PeJP	NA	NA
+PJ032157	GPPCDMR 	C30H50N10O10S2	774.3153	NA	PeJP	NA	NA
+PJ032158	GSSNHHH 	C30H42N14O11	774.3158	NA	PeJP	NA	NA
+PJ032159	SPPCWW 	C38H46N8O8S	774.316	NA	PeJP	NA	NA
+PJ032160	SSQQYY 	C34H46N8O13	774.3184	NA	PeJP	NA	NA
+PJ032161	SPQEEW 	C34H46N8O13	774.3185	NA	PeJP	NA	NA
+PJ032162	PPNMMW 	C35H50N8O8S2	774.3193	NA	PeJP	NA	NA
+PJ032163	SSSTCKY 	C31H50N8O13S	774.3218	NA	PeJP	NA	NA
+MJ093983	Cephabacin M; Cephabacin M1 	C31H50N8O13S	774.321804	NA	MeJP	NA	NA
+PJ032164	GGGPVEEM 	C31H50N8O13S	774.3219	NA	PeJP	NA	NA
+PJ032165	GPEFYY 	C39H46N6O11	774.3225	NA	PeJP	NA	NA
+PJ032166	CCKKMY 	C32H54N8O8S3	774.3227	NA	PeJP	NA	NA
+PJ032167	SSCHRW 	C32H46N12O9S	774.3232	NA	PeJP	NA	NA
+PJ032168	SSSSDHR 	C28H46N12O14	774.3257	NA	PeJP	NA	NA
+PJ032169	AVEMYY 	C36H50N6O11S	774.3258	NA	PeJP	NA	NA
+PJ032170	GLEMYY 	C36H50N6O11S	774.3259	NA	PeJP	NA	NA
+PJ032171	SNMMHR 	C29H50N12O9S2	774.3265	NA	PeJP	NA	NA
+PJ032172	GGSMMHR 	C29H50N12O9S2	774.3266	NA	PeJP	NA	NA
+PJ032173	GMHHFF 	C37H46N10O7S	774.3272	NA	PeJP	NA	NA
+PJ032174	SPDDRW 	C33H46N10O12	774.3297	NA	PeJP	NA	NA
+PJ032175	ACKMHW 	C34H50N10O7S2	774.3306	NA	PeJP	NA	NA
+PJ032176	PNEEMR 	C30H50N10O12S	774.3331	NA	PeJP	NA	NA
+PJ032177	GPTEWW 	C38H46N8O10	774.3337	NA	PeJP	NA	NA
+PJ032178	CNKHHH 	C31H46N14O8S	774.3344	NA	PeJP	NA	NA
+MJ093984	Antibiotic DC 92B; 1'',2''-Didehydro 	C42H50N2O12	774.336375	NA	MeJP	NA	NA
+PJ032179	GSNNNNR 	C27H46N14O13	774.3369	NA	PeJP	NA	NA
+PJ032180	PVNEMW 	C35H50N8O10S	774.3371	NA	PeJP	NA	NA
+PJ032181	PFYYW 	C43H46N6O8	774.3377	NA	PeJP	NA	NA
+PJ032182	TCCHRR 	C28H50N14O8S2	774.3378	NA	PeJP	NA	NA
+PJ032183	GSPKEEE 	C31H50N8O15	774.3396	NA	PeJP	NA	NA
+MJ093985	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 3'-Ac, tetrabenzyl 	C47H50O10	774.340397	NA	MeJP	NA	NA
+PJ032184	GPPDKMM 	C32H54N8O10S2	774.3405	NA	PeJP	NA	NA
+PJ032185	GNNERW 	C32H46N12O11	774.3409	NA	PeJP	NA	NA
+PJ032186	GGGGGERW 	C32H46N12O11	774.341	NA	PeJP	NA	NA
+PJ032187	LMYYW 	C40H50N6O8S	774.3411	NA	PeJP	NA	NA
+PJ032188	AHHHHH 	C33H42N16O7	774.3423	NA	PeJP	NA	NA
+PJ032189	STLEYY 	C36H50N6O13	774.3436	NA	PeJP	NA	NA
+PJ032190	PCDERR 	C29H50N12O11S	774.3443	NA	PeJP	NA	NA
+PJ032191	ALMMFY 	C37H54N6O8S2	774.3445	NA	PeJP	NA	NA
+PJ032192	QQQWW 	C37H46N10O9	774.3449	NA	PeJP	NA	NA
+PJ032193	GAQQWW 	C37H46N10O9	774.345	NA	PeJP	NA	NA
+MJ093986	Bonaspectin D; 7''-Deoxy, 4''-O-?-D-glucopyranoside 	C40H54O15	774.346271	NA	MeJP	NA	NA
+PJ032194	GPEMRW 	C34H50N10O9S	774.3483	NA	PeJP	NA	NA
+PJ032195	PTWWW 	C42H46N8O7	774.349	NA	PeJP	NA	NA
+PJ032196	VNEEER 	C30H50N10O14	774.3508	NA	PeJP	NA	NA
+PJ032197	GGGGAAKEE 	C30H50N10O14	774.3509	NA	PeJP	NA	NA
+PJ032198	GSPPMMR 	C31H54N10O9S2	774.3517	NA	PeJP	NA	NA
+PJ032199	PNDHHR 	C31H46N14O10	774.3522	NA	PeJP	NA	NA
+PJ032200	APCLWW 	C39H50N8O7S	774.3523	NA	PeJP	NA	NA
+PJ032201	GPVMWW 	C39H50N8O7S	774.3524	NA	PeJP	NA	NA
+PJ032202	SPKEEW 	C35H50N8O12	774.3548	NA	PeJP	NA	NA
+PJ032203	GAALEEW 	C35H50N8O12	774.3549	NA	PeJP	NA	NA
+PJ032204	CCKKFF 	C36H54N8O7S2	774.3557	NA	PeJP	NA	NA
+PJ032205	NNRWW 	C36H46N12O8	774.3562	NA	PeJP	NA	NA
+PJ032206	AAPKEEM 	C32H54N8O12S	774.3582	NA	PeJP	NA	NA
+PJ032207	GPLYYY 	C40H50N6O10	774.3589	NA	PeJP	NA	NA
+PJ032208	LLMMMH 	C33H58N8O7S3	774.3591	NA	PeJP	NA	NA
+PJ032209	GQMHFR 	C33H50N12O8S	774.3596	NA	PeJP	NA	NA
+MJ093987	Kraussianin; 18-Benzoyloxy 	C44H54O12	774.361527	NA	MeJP	NA	NA
+PJ032210	ATNNNNK 	C29H50N12O13	774.362	NA	PeJP	NA	NA
+PJ032211	GEEERR 	C29H50N12O13	774.3621	NA	PeJP	NA	NA
+PJ032212	SVLMYY 	C37H54N6O10S	774.3622	NA	PeJP	NA	NA
+PJ032213	TCKMHR 	C30H54N12O8S2	774.3629	NA	PeJP	NA	NA
+PJ032214	PMRWW 	C38H50N10O6S	774.3636	NA	PeJP	NA	NA
+PJ032215	GVEERW 	C34H50N10O11	774.3661	NA	PeJP	NA	NA
+PJ032216	SSPPTMR 	C31H54N10O11S	774.3694	NA	PeJP	NA	NA
+PJ032217	PDKEMR 	C31H54N10O11S	774.3695	NA	PeJP	NA	NA
+PJ032218	AALEWW 	C39H50N8O9	774.3701	NA	PeJP	NA	NA
+PJ032219	GCHFRR 	C32H50N14O7S	774.3708	NA	PeJP	NA	NA
+MJ093988	Disorazole A1; 11,12-Epoxide(cis-) 	C43H54N2O11	774.37276	NA	MeJP	NA	NA
+MJ093989	Disorazole A1; 9',10'-Epoxide(cis-) 	C43H54N2O11	774.37276	NA	MeJP	NA	NA
+MJ093990	Nicaustrine 	C43H54N2O11	774.37276	NA	MeJP	NA	NA
+PJ032220	SNNERR 	C28H50N14O12	774.3733	NA	PeJP	NA	NA
+PJ032221	PVDKMW 	C36H54N8O9S	774.3735	NA	PeJP	NA	NA
+PJ032222	LFFYW 	C44H50N6O7	774.3741	NA	PeJP	NA	NA
+PJ032223	LQKEEE 	C32H54N8O14	774.376	NA	PeJP	NA	NA
+PJ032224	APPTKMM 	C33H58N8O9S2	774.3768	NA	PeJP	NA	NA
+PJ032225	GPVLQMM 	C33H58N8O9S2	774.3769	NA	PeJP	NA	NA
+PJ032226	EERRW 	C33H50N12O10	774.3773	NA	PeJP	NA	NA
+PJ032227	ALMFFF 	C41H54N6O7S	774.3775	NA	PeJP	NA	NA
+PJ032228	SPEMRR 	C30H54N12O10S	774.3807	NA	PeJP	NA	NA
+PJ032229	VERWW 	C38H50N10O8	774.3813	NA	PeJP	NA	NA
+MJ093991	Voacanga thouarsii Alkaloid C 	C42H54N4O10	774.383993	NA	MeJP	NA	NA
+PJ032230	SPVMRW 	C35H54N10O8S	774.3847	NA	PeJP	NA	NA
+PJ032231	VVWWW 	C43H50N8O6	774.3854	NA	PeJP	NA	NA
+PJ032232	VDKEER 	C31H54N10O13	774.3872	NA	PeJP	NA	NA
+PJ032233	PLQMMR 	C32H58N10O8S2	774.3881	NA	PeJP	NA	NA
+PJ032234	GSNRRW 	C32H50N14O9	774.3886	NA	PeJP	NA	NA
+PJ032235	ALKEEW 	C36H54N8O11	774.3912	NA	PeJP	NA	NA
+MJ093992	Cyclosquamosin F 	C36H54N8O11	774.391204	NA	MeJP	NA	NA
+PJ032236	AAAAPVEF 	C36H54N8O11	774.3913	NA	PeJP	NA	NA
+PJ032237	GQQMRR 	C29H54N14O9S	774.3919	NA	PeJP	NA	NA
+PJ032238	APKHHW 	C37H50N12O7	774.3926	NA	PeJP	NA	NA
+PJ032239	GPTLKEM 	C33H58N8O11S	774.3946	NA	PeJP	NA	NA
+PJ032240	GLLFYY 	C41H54N6O9	774.3953	NA	PeJP	NA	NA
+PJ032241	PPCFRR 	C34H54N12O7S	774.396	NA	PeJP	NA	NA
+PJ032242	SQQKER 	C30H54N12O12	774.3984	NA	PeJP	NA	NA
+PJ032243	SVEERR 	C30H54N12O12	774.3985	NA	PeJP	NA	NA
+PJ032244	PCLMRR 	C31H58N12O7S2	774.3993	NA	PeJP	NA	NA
+PJ032245	ATLERW 	C35H54N10O10	774.4025	NA	PeJP	NA	NA
+PJ032246	GCQRRR 	C28H54N16O8S	774.4032	NA	PeJP	NA	NA
+MJ093993	1,2,3,16-Tetrahydroxypregnan-20-one, 1-O-(?-L-Arabinopyranoside), 16-[5-(?-D-glucopyranosyloxy)-4R-methylpentanoyl] 	C38H62O16	774.403785	NA	MeJP	NA	NA
+PJ032247	VLQEMR 	C32H58N10O10S	774.4058	NA	PeJP	NA	NA
+PJ032248	GGLLEMR 	C32H58N10O10S	774.4059	NA	PeJP	NA	NA
+HMDB01038	Angiotensin IV	C40H54N8O8	774.40643	http://www.hmdb.ca/metabolites/HMDB01038	HMDB	NA	NA
+HMDB01038	Angiotensin IV	C40H54N8O8	774.40643	HMDB01038	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01038	Angiotensin IV	C40H54N8O8	774.406433	NA	HMDB2010	NA	NA
+PJ032249	GTLLWW 	C40H54N8O8	774.4065	NA	PeJP	NA	NA
+MJ093994	Disorazole C1 	C44H58N2O10	774.409146	NA	MeJP	NA	NA
+MJ093995	Disorazole C2 	C44H58N2O10	774.409146	NA	MeJP	NA	NA
+PJ032250	SNDKRR 	C29H54N14O11	774.4097	NA	PeJP	NA	NA
+PJ032251	PTLKMW 	C37H58N8O8S	774.4099	NA	PeJP	NA	NA
+PJ032252	LKKEEE 	C33H58N8O13	774.4124	NA	PeJP	NA	NA
+PJ032253	GPVLKMM 	C34H62N8O8S2	774.4132	NA	PeJP	NA	NA
+PJ032254	GTQKRW 	C34H54N12O9	774.4137	NA	PeJP	NA	NA
+PJ032255	ALEMRR 	C31H58N12O9S	774.4171	NA	PeJP	NA	NA
+PJ032256	QKKWW 	C39H54N10O7	774.4177	NA	PeJP	NA	NA
+PJ032257	SSNRRR 	C28H54N16O10	774.4209	NA	PeJP	NA	NA
+PJ032258	GLLMRW 	C36H58N10O7S	774.4211	NA	PeJP	NA	NA
+PJ032259	TLKEER 	C32H58N10O12	774.4236	NA	PeJP	NA	NA
+PJ032260	PLKMMR 	C33H62N10O7S2	774.4245	NA	PeJP	NA	NA
+PJ032261	PTKHHR 	C33H54N14O8	774.4249	NA	PeJP	NA	NA
+PJ032262	GGVLHHR 	C33H54N14O8	774.425	NA	PeJP	NA	NA
+PJ032263	SLLKEW 	C37H58N8O10	774.4276	NA	PeJP	NA	NA
+PJ032264	GQKMRR 	C30H58N14O8S	774.4283	NA	PeJP	NA	NA
+PJ032265	AALLKEM 	C34H62N8O10S	774.431	NA	PeJP	NA	NA
+PJ032266	TTLERR 	C31H58N12O11	774.4348	NA	PeJP	NA	NA
+PJ032267	GGGGGSKKK 	C31H58N12O11	774.4349	NA	PeJP	NA	NA
+PJ032268	GLHHRR 	C32H54N16O7	774.4362	NA	PeJP	NA	NA
+PJ032269	SVQKKW 	C36H58N10O9	774.4388	NA	PeJP	NA	NA
+PJ032270	STLLRW 	C36H58N10O9	774.4389	NA	PeJP	NA	NA
+PJ032271	GCKRRR 	C29H58N16O7S	774.4396	NA	PeJP	NA	NA
+PJ032272	VLKEMR 	C33H62N10O9S	774.4422	NA	PeJP	NA	NA
+PJ032273	PVVKFW 	C41H58N8O7	774.4429	NA	PeJP	NA	NA
+PJ032274	STQKRR 	C30H58N14O10	774.4461	NA	PeJP	NA	NA
+PJ032275	VVLKMW 	C38H62N8O7S	774.4463	NA	PeJP	NA	NA
+PJ032276	ATTLLKE 	C34H62N8O12	774.4487	NA	PeJP	NA	NA
+PJ032277	SSLLLDK 	C34H62N8O12	774.4488	NA	PeJP	NA	NA
+PJ032278	GTKKRW 	C35H58N12O8	774.4501	NA	PeJP	NA	NA
+PJ032279	SLLMRR 	C32H62N12O8S	774.4535	NA	PeJP	NA	NA
+PJ032280	KKKWW 	C40H58N10O6	774.4541	NA	PeJP	NA	NA
+PJ032281	SSSLLLR 	C33H62N10O11	774.46	NA	PeJP	NA	NA
+PJ032282	PPLHRR 	C34H58N14O7	774.4613	NA	PeJP	NA	NA
+PJ032283	AAPLLKY 	C38H62N8O9	774.464	NA	PeJP	NA	NA
+PJ032284	GKKMRR 	C31H62N14O7S	774.4647	NA	PeJP	NA	NA
+PJ032285	GTLLLKM 	C35H66N8O9S	774.4674	NA	PeJP	NA	NA
+PJ032286	SKKKER 	C32H62N12O10	774.4712	NA	PeJP	NA	NA
+PJ032287	SVKKKW 	C37H62N10O8	774.4752	NA	PeJP	NA	NA
+PJ032288	GGLLLFR 	C37H62N10O8	774.4753	NA	PeJP	NA	NA
+MJ093996	Ergostane-3,4,6,8,15,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C40H70O14	774.476556	NA	MeJP	NA	NA
+MJ093997	Ergostane-3,6,8,15,16,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C40H70O14	774.476556	NA	MeJP	NA	NA
+MJ093998	Stigmastane-3,4,6,8,15,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C40H70O14	774.476556	NA	MeJP	NA	NA
+MJ093999	Stigmastane-3,6,8,15,16,29-hexol, 29-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C40H70O14	774.476556	NA	MeJP	NA	NA
+PJ032289	LQKKKM 	C34H66N10O8S	774.4786	NA	PeJP	NA	NA
+PJ032290	STKKRR 	C31H62N14O9	774.4825	NA	PeJP	NA	NA
+PJ032291	STTLLLK 	C35H66N8O11	774.4851	NA	PeJP	NA	NA
+PJ032292	ALLFRR 	C36H62N12O7	774.4865	NA	PeJP	NA	NA
+PJ032293	CLKKKR 	C33H66N12O7S	774.4898	NA	PeJP	NA	NA
+PJ032294	GTTLKKK 	C34H66N10O10	774.4964	NA	PeJP	NA	NA
+PJ032295	AALLLKF 	C39H66N8O8	774.5004	NA	PeJP	NA	NA
+PJ032296	VLLKFR 	C38H66N10O7	774.5116	NA	PeJP	NA	NA
+PJ032297	LKKKKM 	C35H70N10O7S	774.515	NA	PeJP	NA	NA
+MJ094000	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-?-D-Galactopyranoside (2S-) 	C45H74O10	774.528198	NA	MeJP	NA	NA
+MJ094001	Oligomycin A; 12-Deoxy 	C45H74O10	774.528198	NA	MeJP	NA	NA
+C11313	Oligomycin C	C45H74O10	774.5282	NA	KEGG	NA	NA
+C13871	1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-	C45H74O10	774.5282	NA	KEGG	NA	NA
+HMDB10605	PG(18:0/18:2(9Z,12Z))	C42H79O10P	774.541077	NA	HMDB2010	NA	NA
+HMDB10618	PG(18:1(11Z)/18:1(11Z))	C42H79O10P	774.541077	NA	HMDB2010	NA	NA
+HMDB10619	PG(18:1(11Z)/18:1(9Z))	C42H79O10P	774.541077	NA	HMDB2010	NA	NA
+HMDB10633	PG(18:1(9Z)/18:1(11Z))	C42H79O10P	774.541077	NA	HMDB2010	NA	NA
+HMDB10634	PG(18:1(9Z)/18:1(9Z))	C42H79O10P	774.541077	NA	HMDB2010	NA	NA
+HMDB10647	PG(18:2(9Z,12Z)/18:0)	C42H79O10P	774.541077	NA	HMDB2010	NA	NA
+EUR1082	SM(d18:1/18:1) [M+FA-H]-	C41H81N2O6P	774.588106	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1082	SM(d18:1/18:1) [M+FA-H]-	C41H81N2O6P	774.588106	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1082	SM(d18:1/18:1) [M+FA-H]-	C41H81N2O6P	774.588106	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1082	SM(d18:1/18:1) [M+FA-H]-	C41H81N2O6P	774.588106	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1146	SM(d18:0/22:0) [M-H-CH3]-	C45H93N2O6P	774.661476	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1146	SM(d18:0/22:0) [M-H-CH3]-	C45H93N2O6P	774.661476	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1146	SM(d18:0/22:0) [M-H-CH3]-	C45H93N2O6P	774.661476	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1146	SM(d18:0/22:0) [M-H-CH3]-	C45H93N2O6P	774.661476	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094002	2-Decaprenylphenol 	C56H86O	774.667867	NA	MeJP	NA	NA
+HMDB10419	TG(16:1(9Z)/14:0/16:1(9Z))[iso3]	C49H90O6	774.673767	NA	HMDB2010	NA	NA
+MJ094003	Nonadecanoic acid; Tetratriacontanyl ester 	C53H106O2	774.819282	NA	MeJP	NA	NA
+MJ094004	Theoneberine 	C27H25Br4NO6	774.841538	NA	MeJP	NA	NA
+MJ094005	Cangrelor 	C17H25Cl2F3N5O12P3S2	774.948312	NA	MeJP	NA	NA
+PJ032298	CCCCDDD 	C24H37N7O14S4	775.1282	NA	PeJP	NA	NA
+PJ032299	CCCCCNQ 	C24H41N9O10S5	775.158	NA	PeJP	NA	NA
+PJ032300	SCCCDDM 	C25H41N7O13S4	775.1646	NA	PeJP	NA	NA
+PJ032301	GSSCCCCN 	C24H41N9O12S4	775.1758	NA	PeJP	NA	NA
+PJ032302	GCCCEMM 	C26H45N7O10S5	775.1832	NA	PeJP	NA	NA
+PJ032303	CCCCCNK 	C25H45N9O9S5	775.1944	NA	PeJP	NA	NA
+C01080	Reduced coenzyme F420	C29H38N5O18P	775.1949	NA	KEGG	NA	NA
+PJ032304	GCCCDEF 	C29H41N7O12S3	775.1976	NA	PeJP	NA	NA
+PJ032305	CCCMMW 	C30H45N7O7S5	775.1984	NA	PeJP	NA	NA
+PJ032306	SSCCDMM 	C26H45N7O12S4	775.2009	NA	PeJP	NA	NA
+PJ032307	ACCCCHH 	C27H41N11O8S4	775.2023	NA	PeJP	NA	NA
+PJ032308	GCDDDDH 	C27H37N9O16S	775.2079	NA	PeJP	NA	NA
+PJ032309	GCCCNNY 	C28H41N9O11S3	775.2088	NA	PeJP	NA	NA
+PJ032310	CCCDFW 	C33H41N7O9S3	775.2128	NA	PeJP	NA	NA
+PJ032311	GSCCDEY 	C29H41N7O14S2	775.2153	NA	PeJP	NA	NA
+PJ032312	GPCCCMY 	C30H45N7O9S4	775.2162	NA	PeJP	NA	NA
+PJ032313	GTCCMMM 	C27H49N7O9S5	775.2196	NA	PeJP	NA	NA
+PJ032314	SSCCCHH 	C27H41N11O10S3	775.22	NA	PeJP	NA	NA
+PJ032315	SPCCDDH 	C28H41N9O13S2	775.2266	NA	PeJP	NA	NA
+PJ032316	SCCDYW 	C33H41N7O11S2	775.2306	NA	PeJP	NA	NA
+PJ032317	SSSCDDY 	C29H41N7O16S	775.2331	NA	PeJP	NA	NA
+PJ032318	CNDMMY 	C30H45N7O11S3	775.2339	NA	PeJP	NA	NA
+PJ032319	SSSCMMM 	C27H49N7O11S4	775.2373	NA	PeJP	NA	NA
+PJ032320	GCCNNEH 	C27H41N11O12S2	775.2378	NA	PeJP	NA	NA
+PJ032321	GSDDDMH 	C28H41N9O15S	775.2443	NA	PeJP	NA	NA
+PJ032322	CCCERY 	C29H45N9O10S3	775.2452	NA	PeJP	NA	NA
+PJ032323	CNDDFY 	C33H41N7O13S	775.2483	NA	PeJP	NA	NA
+PJ032324	ACCMYW 	C34H45N7O8S3	775.2492	NA	PeJP	NA	NA
+PJ032325	GPDDDEE 	C29H41N7O18	775.2508	NA	PeJP	NA	NA
+PJ032326	GSSCEMY 	C30H45N7O13S2	775.2517	NA	PeJP	NA	NA
+PJ032327	CNMMMF 	C31H49N7O8S4	775.2526	NA	PeJP	NA	NA
+PJ032328	CCNNHW 	C31H41N11O9S2	775.253	NA	PeJP	NA	NA
+PJ032329	GGCCNHW 	C31H41N11O9S2	775.2531	NA	PeJP	NA	NA
+MetaCyc04127	tetrahydromethanopterin [THMPT;5,6,7,8-tetrahydromethanopterin;H4MPT;]	C30H44N6O16P1	775.255141	NA	metacyc	NA	NA
+PJ032330	SSCNNDH 	C27H41N11O14S	775.2555	NA	PeJP	NA	NA
+PJ032331	GGSSCNDH 	C27H41N11O14S	775.2556	NA	PeJP	NA	NA
+PJ032332	SCDEHW 	C32H41N9O12S	775.2596	NA	PeJP	NA	NA
+PJ032333	PCCMHW 	C33H45N9O7S3	775.2604	NA	PeJP	NA	NA
+PJ032334	SSSDDEH 	C28H41N9O17	775.2621	NA	PeJP	NA	NA
+PJ032335	NDEMMH 	C29H45N9O12S2	775.2629	NA	PeJP	NA	NA
+PJ032336	GGPPCCNE 	C29H45N9O12S2	775.263	NA	PeJP	NA	NA
+PJ032337	PDDDEW 	C33H41N7O15	775.2661	NA	PeJP	NA	NA
+PJ032338	SSCMYW 	C34H45N7O10S2	775.2669	NA	PeJP	NA	NA
+PJ032339	TTCCYW 	C34H45N7O10S2	775.267	NA	PeJP	NA	NA
+MJ094006	Orthosphenine 	C37H45NO17	775.268749	NA	MeJP	NA	NA
+PJ032340	SSSSDMY 	C30H45N7O15S	775.2694	NA	PeJP	NA	NA
+PJ032341	SPPDDDM 	C30H45N7O15S	775.2695	NA	PeJP	NA	NA
+PJ032342	SNMMMY 	C31H49N7O10S3	775.2703	NA	PeJP	NA	NA
+PJ032343	GNNNNDE 	C27H41N11O16	775.2733	NA	PeJP	NA	NA
+PJ032344	CDDMHR 	C28H45N11O11S2	775.2742	NA	PeJP	NA	NA
+PJ032345	NDDEHF 	C32H41N9O14	775.2773	NA	PeJP	NA	NA
+PJ032346	GDMMHW 	C33H45N9O9S2	775.2782	NA	PeJP	NA	NA
+PJ032347	GSSEEMH 	C29H45N9O14S	775.2807	NA	PeJP	NA	NA
+PJ032348	TCCMRY 	C30H49N9O9S3	775.2816	NA	PeJP	NA	NA
+PJ032349	CNEHHH 	C30H41N13O10S	775.282	NA	PeJP	NA	NA
+PJ032350	GGCEHHH 	C30H41N13O10S	775.2821	NA	PeJP	NA	NA
+PJ032351	ACCFFW 	C38H45N7O7S2	775.2822	NA	PeJP	NA	NA
+PJ032352	GNEMYY 	C34H45N7O12S	775.2847	NA	PeJP	NA	NA
+PJ032353	GSCCNHR 	C27H45N13O10S2	775.2854	NA	PeJP	NA	NA
+PJ032354	GSPEEEE 	C30H45N7O17	775.2872	NA	PeJP	NA	NA
+PJ032355	GSSTMMY 	C31H49N7O12S2	775.2881	NA	PeJP	NA	NA
+PJ032356	NNNNDW 	C31H41N11O13	775.2886	NA	PeJP	NA	NA
+PJ032357	GPCNDDR 	C28H45N11O13S	775.2919	NA	PeJP	NA	NA
+PJ032358	GGGPCDDR 	C28H45N11O13S	775.292	NA	PeJP	NA	NA
+PJ032359	GDDHFW 	C36H41N9O11	775.2926	NA	PeJP	NA	NA
+PJ032360	SSEMHW 	C33H45N9O11S	775.2959	NA	PeJP	NA	NA
+PJ032361	TTCEHW 	C33H45N9O11S	775.296	NA	PeJP	NA	NA
+PJ032362	GCHHHW 	C34H41N13O7S	775.2973	NA	PeJP	NA	NA
+PJ032363	SSSTEEH 	C29H45N9O16	775.2984	NA	PeJP	NA	NA
+PJ032364	NQQEEE 	C29H45N9O16	775.2985	NA	PeJP	NA	NA
+PJ032365	TQEMMH 	C30H49N9O11S2	775.2993	NA	PeJP	NA	NA
+PJ032366	GSSDHHH 	C30H41N13O12	775.2998	NA	PeJP	NA	NA
+PJ032367	NMYYW 	C38H45N7O9S	775.3	NA	PeJP	NA	NA
+PJ032368	SPEEEW 	C34H45N7O14	775.3025	NA	PeJP	NA	NA
+PJ032369	PCCKYY 	C35H49N7O9S2	775.3033	NA	PeJP	NA	NA
+PJ032370	PPDMMW 	C35H49N7O9S2	775.3034	NA	PeJP	NA	NA
+MJ094007	Antibiotic YL 01641P-B2; 9-Ac 	C38H49NO16	775.305134	NA	MeJP	NA	NA
+PJ032371	SSSTTMY 	C31H49N7O14S	775.3058	NA	PeJP	NA	NA
+PJ032372	AAPEEEM 	C31H49N7O14S	775.3059	NA	PeJP	NA	NA
+PJ032373	TCKMMY 	C32H53N7O9S3	775.3067	NA	PeJP	NA	NA
+PJ032374	NNNMHF 	C32H45N11O10S	775.3072	NA	PeJP	NA	NA
+PJ032375	NNDEER 	C28H45N11O15	775.3097	NA	PeJP	NA	NA
+PJ032376	SDMMHR 	C29H49N11O10S2	775.3106	NA	PeJP	NA	NA
+PJ032377	GPCQWW 	C37H45N9O8S	775.3112	NA	PeJP	NA	NA
+PJ032378	GQQEEW 	C33H45N9O13	775.3137	NA	PeJP	NA	NA
+PJ032379	ATMMHW 	C34H49N9O8S2	775.3146	NA	PeJP	NA	NA
+PJ032380	PDEEMR 	C30H49N9O13S	775.3171	NA	PeJP	NA	NA
+PJ032381	GSTYYW 	C38H45N7O11	775.3177	NA	PeJP	NA	NA
+PJ032382	VQMMMH 	C31H53N9O8S3	775.3179	NA	PeJP	NA	NA
+PJ032383	LNMMMH 	C31H53N9O8S3	775.318	NA	PeJP	NA	NA
+PJ032384	SQMHHH 	C31H45N13O9S	775.3184	NA	PeJP	NA	NA
+PJ032385	GSNNNDR 	C27H45N13O14	775.3209	NA	PeJP	NA	NA
+PJ032386	GGGGGGGSDR 	C27H45N13O14	775.321	NA	PeJP	NA	NA
+PJ032387	PVDEMW 	C35H49N7O11S	775.3211	NA	PeJP	NA	NA
+PJ032388	PPCHHW 	C36H45N11O7S	775.3225	NA	PeJP	NA	NA
+PJ032389	LQEEEE 	C31H49N7O16	775.3236	NA	PeJP	NA	NA
+PJ032390	APPTEMM 	C32H53N7O11S2	775.3245	NA	PeJP	NA	NA
+PJ032391	ANDDRW 	C32H45N11O12	775.3249	NA	PeJP	NA	NA
+PJ032392	GNDERW 	C32H45N11O12	775.325	NA	PeJP	NA	NA
+PJ032393	GSPNDMR 	C29H49N11O12S	775.3283	NA	PeJP	NA	NA
+PJ032394	GGGGGGGGGLM 	C29H49N11O12S	775.3284	NA	PeJP	NA	NA
+PJ032395	QQEWW 	C37H45N9O10	775.329	NA	PeJP	NA	NA
+PJ032396	AMMMHR 	C30H53N11O7S3	775.3292	NA	PeJP	NA	NA
+PJ032397	SCHHHR 	C30H45N15O8S	775.3297	NA	PeJP	NA	NA
+PJ032398	TTTMHW 	C34H49N9O10S	775.3323	NA	PeJP	NA	NA
+PJ032399	GGGAPTMW 	C34H49N9O10S	775.3324	NA	PeJP	NA	NA
+PJ032400	NFFYW 	C42H45N7O8	775.333	NA	PeJP	NA	NA
+PJ032401	STTTTEH 	C30H49N9O15	775.3348	NA	PeJP	NA	NA
+PJ032402	VDEEER 	C30H49N9O15	775.3349	NA	PeJP	NA	NA
+MJ094008	Sperm activating peptide; Sperm activating peptide F 	C31H53N9O10S2	775.33568	NA	MeJP	NA	NA
+PJ032403	TKEMMH 	C31H53N9O10S2	775.3357	NA	PeJP	NA	NA
+PJ032404	PDDHHR 	C31H45N13O11	775.3362	NA	PeJP	NA	NA
+PJ032405	GQMFFF 	C39H49N7O8S	775.3364	NA	PeJP	NA	NA
+PJ032406	TTTQYY 	C35H49N7O13	775.3388	NA	PeJP	NA	NA
+PJ032407	ALEEEW 	C35H49N7O13	775.3389	NA	PeJP	NA	NA
+PJ032408	NNNQMR 	C28H49N13O11S	775.3395	NA	PeJP	NA	NA
+PJ032409	GGNNQMR 	C28H49N13O11S	775.3396	NA	PeJP	NA	NA
+PJ032410	GKMMFY 	C36H53N7O8S2	775.3397	NA	PeJP	NA	NA
+PJ032411	NDRWW 	C36H45N11O9	775.3402	NA	PeJP	NA	NA
+PJ032412	GPTLEEM 	C32H53N7O13S	775.3422	NA	PeJP	NA	NA
+PJ032413	GPPLMMM 	C33H57N7O8S3	775.3431	NA	PeJP	NA	NA
+PJ032414	SPCQRW 	C33H49N11O9S	775.3436	NA	PeJP	NA	NA
+PJ032415	AQWWW 	C41H45N9O7	775.3442	NA	PeJP	NA	NA
+PJ032416	SQQEER 	C29H49N11O14	775.3461	NA	PeJP	NA	NA
+PJ032417	TTMMHR 	C30H53N11O9S2	775.3469	NA	PeJP	NA	NA
+PJ032418	GGGAPMMR 	C30H53N11O9S2	775.347	NA	PeJP	NA	NA
+PJ032419	GPCKWW 	C38H49N9O7S	775.3476	NA	PeJP	NA	NA
+PJ032420	GQKEEW 	C34H49N9O12	775.3501	NA	PeJP	NA	NA
+PJ032421	CNNNRR 	C27H49N15O10S	775.3508	NA	PeJP	NA	NA
+PJ032422	AQHHHF 	C35H45N13O8	775.3514	NA	PeJP	NA	NA
+PJ032423	GAAHHHF 	C35H45N13O8	775.3515	NA	PeJP	NA	NA
+PJ032424	SSTTLMH 	C31H53N9O12S	775.3535	NA	PeJP	NA	NA
+PJ032425	PPVDYW 	C39H49N7O10	775.3541	NA	PeJP	NA	NA
+PJ032426	VKMMMH 	C32H57N9O7S3	775.3543	NA	PeJP	NA	NA
+PJ032427	SKMHHH 	C32H49N13O8S	775.3548	NA	PeJP	NA	NA
+3574	NA	YPFGFF~	775.356	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ032428	SNDERR 	C28H49N13O13	775.3573	NA	PeJP	NA	NA
+PJ032429	PTLEMW 	C36H53N7O10S	775.3575	NA	PeJP	NA	NA
+PJ032430	PCNMRR 	C29H53N13O8S2	775.3582	NA	PeJP	NA	NA
+PJ032431	MHFRW 	C37H49N11O6S	775.3588	NA	PeJP	NA	NA
+PJ032432	LKEEEE 	C32H53N7O15	775.36	NA	PeJP	NA	NA
+PJ032433	GPVLEMM 	C33H57N7O10S2	775.3609	NA	PeJP	NA	NA
+PJ032434	GTQERW 	C33H49N11O11	775.3613	NA	PeJP	NA	NA
+PJ032435	GGGGGGTKW 	C33H49N11O11	775.3614	NA	PeJP	NA	NA
+PJ032436	VNQEMR 	C30H53N11O11S	775.3647	NA	PeJP	NA	NA
+PJ032437	QKEWW 	C38H49N9O9	775.3653	NA	PeJP	NA	NA
+PJ032438	GAKEWW 	C38H49N9O9	775.3654	NA	PeJP	NA	NA
+PJ032439	SPQKMW 	C35H53N9O9S	775.3687	NA	PeJP	NA	NA
+PJ032440	TLEEER 	C31H53N9O14	775.3712	NA	PeJP	NA	NA
+PJ032441	PLEMMR 	C32H57N9O9S2	775.3721	NA	PeJP	NA	NA
+PJ032442	GSDRRW 	C32H49N13O10	775.3726	NA	PeJP	NA	NA
+PJ032443	PPVMFW 	C40H53N7O7S	775.3728	NA	PeJP	NA	NA
+PJ032444	SLLEEW 	C36H53N7O12	775.3752	NA	PeJP	NA	NA
+PJ032445	VTLEEW 	C36H53N7O12	775.3753	NA	PeJP	NA	NA
+PJ032446	GQEMRR 	C29H53N13O10S	775.3759	NA	PeJP	NA	NA
+PJ032447	GGAEMRR 	C29H53N13O10S	775.376	NA	PeJP	NA	NA
+PJ032448	PVLMMW 	C37H57N7O7S2	775.3761	NA	PeJP	NA	NA
+PJ032449	TQRWW 	C37H49N11O8	775.3766	NA	PeJP	NA	NA
+PJ032450	AALLEEM 	C33H57N7O12S	775.3786	NA	PeJP	NA	NA
+PJ032451	GVQMRW 	C34H53N11O8S	775.38	NA	PeJP	NA	NA
+PJ032452	AKWWW 	C42H49N9O6	775.3806	NA	PeJP	NA	NA
+PJ032453	SSPTTQR 	C30H53N11O13	775.3824	NA	PeJP	NA	NA
+PJ032454	SQKEER 	C30H53N11O13	775.3825	NA	PeJP	NA	NA
+PJ032455	PNKMMR 	C31H57N11O8S2	775.3833	NA	PeJP	NA	NA
+PJ032456	AQQHHR 	C31H49N15O9	775.3838	NA	PeJP	NA	NA
+PJ032457	GKKEEW 	C35H53N9O11	775.3865	NA	PeJP	NA	NA
+PJ032458	GCERRR 	C28H53N15O9S	775.3872	NA	PeJP	NA	NA
+PJ032459	AKHHHF 	C36H49N13O7	775.3878	NA	PeJP	NA	NA
+PJ032460	APTTQKM 	C32H57N9O11S	775.3898	NA	PeJP	NA	NA
+PJ032461	VLEEMR 	C32H57N9O11S	775.3899	NA	PeJP	NA	NA
+MJ094009	Arenarin A 	C40H53N7O9	775.390476	NA	MeJP	NA	NA
+PJ032462	PPTLYW 	C40H53N7O9	775.3905	NA	PeJP	NA	NA
+PJ032463	QMRRW 	C33H53N13O7S	775.3912	NA	PeJP	NA	NA
+3816	ileum contracting peptide	MYPLPR	775.3924	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ032464	STQERR 	C29H53N13O12	775.3937	NA	PeJP	NA	NA
+PJ032465	VVLEMW 	C37H57N7O9S	775.3939	NA	PeJP	NA	NA
+PJ032466	GNHHRR 	C30H49N17O8	775.395	NA	PeJP	NA	NA
+PJ032467	GGGHHRR 	C30H49N17O8	775.3951	NA	PeJP	NA	NA
+PJ032468	ATTLLEE 	C33H57N7O14	775.3964	NA	PeJP	NA	NA
+PJ032469	APTLLMM 	C34H61N7O9S2	775.3972	NA	PeJP	NA	NA
+PJ032470	SPVVLMM 	C34H61N7O9S2	775.3973	NA	PeJP	NA	NA
+PJ032471	GTKERW 	C34H53N11O10	775.3977	NA	PeJP	NA	NA
+PJ032472	VNKEMR 	C31H57N11O10S	775.4011	NA	PeJP	NA	NA
+PJ032473	KKEWW 	C39H53N9O8	775.4017	NA	PeJP	NA	NA
+PJ032474	GAAPKFW 	C39H53N9O8	775.4018	NA	PeJP	NA	NA
+PJ032475	CRRRW 	C32H53N15O6S	775.4024	NA	PeJP	NA	NA
+MJ094010	Technetium sestamibi 	C36H66N6O6Tc(+)	775.403774	NA	MeJP	NA	NA
+PJ032476	SSDRRR 	C28H53N15O11	775.4049	NA	PeJP	NA	NA
+PJ032477	SPKKMW 	C36H57N9O8S	775.4051	NA	PeJP	NA	NA
+PJ032478	DKKKEE 	C32H57N9O13	775.4076	NA	PeJP	NA	NA
+PJ032479	AAPKKMM 	C33H61N9O8S2	775.4085	NA	PeJP	NA	NA
+PJ032480	GTTRRW 	C33H53N13O9	775.409	NA	PeJP	NA	NA
+PJ032481	AAPLLEY 	C37H57N7O11	775.4116	NA	PeJP	NA	NA
+PJ032482	GKEMRR 	C30H57N13O9S	775.4123	NA	PeJP	NA	NA
+PJ032483	TKRWW 	C38H53N11O7	775.413	NA	PeJP	NA	NA
+2935	myelopeptide	LVVYPW	775.414	celiac toxic	Inhouse_peptide	NA	peptide
+PJ032484	GTLLLEM 	C34H61N7O11S	775.415	NA	PeJP	NA	NA
+PJ032485	GVKMRW 	C35H57N11O7S	775.4164	NA	PeJP	NA	NA
+PJ032486	SKKEER 	C31H57N11O12	775.4188	NA	PeJP	NA	NA
+PJ032487	GSVTKER 	C31H57N11O12	775.4189	NA	PeJP	NA	NA
+PJ032488	PPNHRR 	C32H53N15O8	775.4202	NA	PeJP	NA	NA
+PJ032489	SVKKEW 	C36H57N9O10	775.4229	NA	PeJP	NA	NA
+PJ032490	GTMRRR 	C29H57N15O8S	775.4236	NA	PeJP	NA	NA
+PJ032491	LQKKEM 	C33H61N9O10S	775.4262	NA	PeJP	NA	NA
+PJ032492	GALKKEM 	C33H61N9O10S	775.4263	NA	PeJP	NA	NA
+PJ032493	PVVLYW 	C41H57N7O8	775.4269	NA	PeJP	NA	NA
+PJ032494	KMRRW 	C34H57N13O6S	775.4276	NA	PeJP	NA	NA
+PJ032495	STKERR 	C30H57N13O11	775.4301	NA	PeJP	NA	NA
+PJ032496	TLLLMW 	C38H61N7O8S	775.4303	NA	PeJP	NA	NA
+PJ032497	STTLLLE 	C34H61N7O13	775.4328	NA	PeJP	NA	NA
+PJ032498	GVLLLMM 	C35H65N7O8S2	775.4336	NA	PeJP	NA	NA
+PJ032499	SSLKRW 	C35H57N11O9	775.4341	NA	PeJP	NA	NA
+PJ032500	VDKKMR 	C32H61N11O9S	775.4375	NA	PeJP	NA	NA
+PJ032501	APKKFW 	C40H57N9O7	775.4381	NA	PeJP	NA	NA
+PJ032502	STTRRR 	C29H57N15O10	775.4413	NA	PeJP	NA	NA
+PJ032503	ALKKMW 	C37H61N9O7S	775.4415	NA	PeJP	NA	NA
+PJ032504	GTTLKKE 	C33H61N9O12	775.444	NA	PeJP	NA	NA
+PJ032505	LLLMMR 	C34H65N9O7S2	775.4449	NA	PeJP	NA	NA
+PJ032506	GPKRRY 	C34H57N13O8	775.4453	NA	PeJP	NA	NA
+PJ032507	GGALFRR 	C34H57N13O8	775.4454	NA	PeJP	NA	NA
+PJ032508	GPTLLLY 	C38H61N7O10	775.448	NA	PeJP	NA	NA
+PJ032509	SVKMRR 	C31H61N13O8S	775.4487	NA	PeJP	NA	NA
+PJ032510	SSLLLLM 	C35H65N7O10S	775.4514	NA	PeJP	NA	NA
+PJ032511	GTTTLKR 	C32H61N11O11	775.4552	NA	PeJP	NA	NA
+PJ032512	AAFRRR 	C33H57N15O7	775.4566	NA	PeJP	NA	NA
+PJ032513	TTLKKW 	C37H61N9O9	775.4593	NA	PeJP	NA	NA
+PJ032514	LKKKEM 	C34H65N9O9S	775.4626	NA	PeJP	NA	NA
+PJ032515	VVLLFW 	C42H61N7O7	775.4633	NA	PeJP	NA	NA
+PJ032516	PTKKFR 	C36H61N11O8	775.4705	NA	PeJP	NA	NA
+MJ094011	Erythromycin; 2'-Ac 	C39H69NO14	775.471805	NA	MeJP	NA	NA
+PJ032517	TLKKMR 	C33H65N11O8S	775.4739	NA	PeJP	NA	NA
+PJ032518	SSTLLKK 	C34H65N9O11	775.4804	NA	PeJP	NA	NA
+PJ032519	GLKFRR 	C35H61N13O7	775.4817	NA	PeJP	NA	NA
+PJ032520	AALLLLY 	C39H65N7O9	775.4844	NA	PeJP	NA	NA
+MJ094012	Fujimycin; 9-Deoxo, 31-O-de-Me 	C43H69NO11	775.487062	NA	MeJP	NA	NA
+PJ032521	GSTKKKK 	C33H65N11O10	775.4916	NA	PeJP	NA	NA
+PJ032522	VLLLRY 	C38H65N9O8	775.4956	NA	PeJP	NA	NA
+PJ032523	GALLKKF 	C38H65N9O8	775.4957	NA	PeJP	NA	NA
+PJ032524	VVKKFR 	C37H65N11O7	775.5069	NA	PeJP	NA	NA
+MJ094013	Erythromycin; 14-Propyl 	C40H73NO13	775.508191	NA	MeJP	NA	NA
+EUR955	PC 34:4 [M+Na]+	C42H76NO8P	775.512803	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR955	PC 34:4 [M+Na]+	C42H76NO8P	775.512803	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR955	PC 34:4 [M+Na]+	C42H76NO8P	775.512803	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR955	PC 34:4 [M+Na]+	C42H76NO8P	775.512803	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07925	PC(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C44H74NO8P	775.515198	NA	HMDB2010	NA	NA
+HMDB08174	PC(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	C44H74NO8P	775.515198	NA	HMDB2010	NA	NA
+HMDB08207	PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	C44H74NO8P	775.515198	NA	HMDB2010	NA	NA
+HMDB08238	PC(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	C44H74NO8P	775.515198	NA	HMDB2010	NA	NA
+HMDB08239	PC(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	C44H74NO8P	775.515198	NA	HMDB2010	NA	NA
+HMDB08723	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	C44H74NO8P	775.515198	NA	HMDB2010	NA	NA
+PJ032525	LLKKKF 	C39H69N9O7	775.532	NA	PeJP	NA	NA
+EUR937	PC 32:2 [M+FA-H]-	C40H76NO8P	775.535737	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR937	PC 32:2 [M+FA-H]-	C40H76NO8P	775.535737	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR937	PC 32:2 [M+FA-H]-	C40H76NO8P	775.535737	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR937	PC 32:2 [M+FA-H]-	C40H76NO8P	775.535737	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09644	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB09645	PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB09677	PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB09678	PE(22:5(7Z,10Z,13Z,16Z,19Z)/dm18:1(9Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB09709	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB11394	PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB11425	PE(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB11426	PE(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB11458	PE(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB11459	PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H78NO7P	775.551575	NA	HMDB2010	NA	NA
+HMDB05328	GPEtn(18:0/20:0)	C43H86NO8P	775.60913	http://www.hmdb.ca/metabolites/HMDB05328	HMDB	NA	NA
+HMDB05336	GPEtn(20:0/18:0)	C43H86NO8P	775.60913	http://www.hmdb.ca/metabolites/HMDB05336	HMDB	NA	NA
+HMDB05328	GPEtn(18:0/20:0)	C43H86NO8P	775.60913	HMDB05328	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05336	GPEtn(20:0/18:0)	C43H86NO8P	775.60913	HMDB05336	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07944	PC(15:0/20:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB08264	PC(20:0/15:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB08848	PE(14:0/24:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB08940	PE(16:0/22:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB08998	PE(18:0/20:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB09222	PE(20:0/18:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB09484	PE(22:0/16:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB09712	PE(24:0/14:0)	C43H86NO8P	775.609131	NA	HMDB2010	NA	NA
+HMDB13406	PC(o-16:0/20:0)	C44H90NO7P	775.645508	NA	HMDB2010	NA	NA
+HMDB13417	PC(o-18:0/18:0)	C44H90NO7P	775.645508	NA	HMDB2010	NA	NA
+4004	NA	RPKPQQFFFGLMG	775.8927	MH2+	Inhouse_peptide	NA	peptide
+PJ032526	CCCCCNE 	C24H40N8O11S5	776.142	NA	PeJP	NA	NA
+PJ032527	GACCCCCD 	C24H40N8O11S5	776.1421	NA	PeJP	NA	NA
+PJ032528	GCCCCCW 	C28H40N8O8S5	776.1573	NA	PeJP	NA	NA
+PJ032529	GSSCCCCD 	C24H40N8O13S4	776.1598	NA	PeJP	NA	NA
+PJ032530	SCCCCQM 	C25H44N8O10S5	776.1784	NA	PeJP	NA	NA
+PJ032531	SCCCCCR 	C24H44N10O9S5	776.1897	NA	PeJP	NA	NA
+PJ032532	GCCCNDY 	C28H40N8O12S3	776.1928	NA	PeJP	NA	NA
+PJ032533	GSSSCCCM 	C25H44N8O12S4	776.1962	NA	PeJP	NA	NA
+PJ032534	GCCCNMF 	C29H44N8O9S4	776.2114	NA	PeJP	NA	NA
+PJ032535	GGGCCCMF 	C29H44N8O9S4	776.2115	NA	PeJP	NA	NA
+PJ032536	SSSSTCCC 	C25H44N8O14S3	776.2139	NA	PeJP	NA	NA
+PJ032537	SCCCCKM 	C26H48N8O9S5	776.2148	NA	PeJP	NA	NA
+MJ094014	3,3',4',5,7-Pentahydroxy-8-(3,4,5-trihydroxybenzyl)flavone; 3'',5''-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C36H40O19	776.216379	NA	MeJP	NA	NA
+MJ094015	Diphyllin; O-[?-L-Arabinopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?5)]-?-D-apiofuranoside] 	C36H40O19	776.216379	NA	MeJP	NA	NA
+MJ094016	Diphyllin; O-[?-L-Xylopyranosyl-(1?2)-[?-L-xylopyranosyl-(1?5)]-?-D-apiofuranoside] 	C36H40O19	776.216379	NA	MeJP	NA	NA
+PJ032538	CDDMMY 	C30H44N6O12S3	776.218	NA	PeJP	NA	NA
+PJ032539	GCCNDEH 	C27H40N10O13S2	776.2218	NA	PeJP	NA	NA
+PJ032540	CMMMMM 	C28H52N6O7S6	776.2222	NA	PeJP	NA	NA
+PJ032541	GSCCNMY 	C29H44N8O11S3	776.2292	NA	PeJP	NA	NA
+PJ032542	CDDDFY 	C33H40N6O14S	776.2324	NA	PeJP	NA	NA
+HMDB10366	Hyaluronan	C28H44N2O23	776.233459	NA	HMDB2010	NA	NA
+PJ032543	CDMMMF 	C31H48N6O9S4	776.2366	NA	PeJP	NA	NA
+PJ032544	CCNDHW 	C31H40N10O10S2	776.2371	NA	PeJP	NA	NA
+PJ032545	SSCNDDH 	C27H40N10O15S	776.2396	NA	PeJP	NA	NA
+PJ032546	SPCCCQH 	C28H44N10O10S3	776.2404	NA	PeJP	NA	NA
+PJ032547	SPNDDDD 	C28H40N8O18	776.2461	NA	PeJP	NA	NA
+PJ032548	SSSCCQY 	C29H44N8O13S2	776.2469	NA	PeJP	NA	NA
+PJ032549	GGSSTCCY 	C29H44N8O13S2	776.247	NA	PeJP	NA	NA
+PJ032550	ACCCCKF 	C30H48N8O8S4	776.2478	NA	PeJP	NA	NA
+PJ032551	SDDDYY 	C33H40N6O16	776.2501	NA	PeJP	NA	NA
+PJ032552	PCCEYY 	C34H44N6O11S2	776.251	NA	PeJP	NA	NA
+PJ032553	SDMMMY 	C31H48N6O11S3	776.2543	NA	PeJP	NA	NA
+PJ032554	CCMHHF 	C32H44N10O7S3	776.2557	NA	PeJP	NA	NA
+PJ032555	GNNNDDE 	C27H40N10O17	776.2573	NA	PeJP	NA	NA
+PJ032556	GGGGGGGDDE 	C27H40N10O17	776.2574	NA	PeJP	NA	NA
+PJ032557	GSCNEMH 	C28H44N10O12S2	776.2582	NA	PeJP	NA	NA
+PJ032558	DDDEHF 	C32H40N8O15	776.2614	NA	PeJP	NA	NA
+PJ032559	GPPCCDW 	C33H44N8O10S2	776.2622	NA	PeJP	NA	NA
+C01217	5,6,7,8-Tetrahydromethanopterin	C30H45N6O16P	776.263	NA	KEGG	NA	NA
+PJ032560	GSSSSSCY 	C29H44N8O15S	776.2647	NA	PeJP	NA	NA
+PJ032561	GTCCCKY 	C30H48N8O10S3	776.2656	NA	PeJP	NA	NA
+PJ032562	CDEHHH 	C30H40N12O11S	776.2661	NA	PeJP	NA	NA
+PJ032563	GDEMYY 	C34H44N6O13S	776.2687	NA	PeJP	NA	NA
+PJ032564	GSCCDHR 	C27H44N12O11S2	776.2694	NA	PeJP	NA	NA
+PJ032565	NNNDDW 	C31H40N10O14	776.2726	NA	PeJP	NA	NA
+PJ032566	AMMMMY 	C32H52N6O8S4	776.273	NA	PeJP	NA	NA
+PJ032567	SCNMHW 	C32H44N10O9S2	776.2734	NA	PeJP	NA	NA
+PJ032568	GGSCMHW 	C32H44N10O9S2	776.2735	NA	PeJP	NA	NA
+MJ094017	Tricoloroside; Me ester 	C34H48O20	776.273893	NA	MeJP	NA	NA
+C01001	Formylmethanofuran	C35H44N4O16	776.2752	NA	KEGG	NA	NA
+MJ094018	Formylmethanofuran 	C35H44N4O16	776.275231	NA	MeJP	NA	NA
+MetaCyc04128	formyl-methanofuran a [N-formylmethanofuran;formyl-MFR;]	C35H44N4O16	776.275231	NA	metacyc	NA	NA
+PJ032569	SSSNDMH 	C28H44N10O14S	776.2759	NA	PeJP	NA	NA
+PJ032570	GPCDDDR 	C28H44N10O14S	776.276	NA	PeJP	NA	NA
+PJ032571	NNMMMH 	C29H48N10O9S3	776.2768	NA	PeJP	NA	NA
+PJ032572	PNDDMW 	C33H44N8O12S	776.28	NA	PeJP	NA	NA
+PJ032573	NQEEEE 	C29H44N8O17	776.2825	NA	PeJP	NA	NA
+MJ094019	Sanggenol J 	C45H44O12	776.283276	NA	MeJP	NA	NA
+MJ094020	Sanggenon E 	C45H44O12	776.283276	NA	MeJP	NA	NA
+MJ094021	Sorocein H 	C45H44O12	776.283276	NA	MeJP	NA	NA
+PJ032574	SSSCCKY 	C30H48N8O12S2	776.2833	NA	PeJP	NA	NA
+PJ032575	GGSPPCEM 	C30H48N8O12S2	776.2834	NA	PeJP	NA	NA
+PJ032576	DMYYW 	C38H44N6O10S	776.284	NA	PeJP	NA	NA
+PJ032577	PMMMMH 	C31H52N8O7S4	776.2842	NA	PeJP	NA	NA
+PJ032578	SSEEYY 	C34H44N6O15	776.2865	NA	PeJP	NA	NA
+PJ032579	GNNNNNM 	C27H44N12O13S	776.2872	NA	PeJP	NA	NA
+PJ032580	PTCMYY 	C35H48N6O10S2	776.2874	NA	PeJP	NA	NA
+PJ032581	CCQMHR 	C28H48N12O8S3	776.2881	NA	PeJP	NA	NA
+MJ094022	Buddlenol E; 5'-Methoxy, 4''-O-?-D-glucopyranoside 	C38H48O17	776.28915	NA	MeJP	NA	NA
+PJ032582	TTMMMY 	C32H52N6O10S3	776.2907	NA	PeJP	NA	NA
+PJ032583	GSSTCHW 	C32H44N10O11S	776.2912	NA	PeJP	NA	NA
+PJ032584	NDDEER 	C28H44N10O16	776.2937	NA	PeJP	NA	NA
+PJ032585	SPPCCDR 	C29H48N10O11S2	776.2946	NA	PeJP	NA	NA
+PJ032586	GPCEWW 	C37H44N8O9S	776.2952	NA	PeJP	NA	NA
+PJ032587	GQEEEW 	C33H44N8O14	776.2977	NA	PeJP	NA	NA
+PJ032588	GSPPCMW 	C34H48N8O9S2	776.2986	NA	PeJP	NA	NA
+PJ032589	CCCHRR 	C27H48N14O7S3	776.2993	NA	PeJP	NA	NA
+PJ032590	GSPQEEM 	C30H48N8O14S	776.3011	NA	PeJP	NA	NA
+PJ032591	GPDYYY 	C38H44N6O12	776.3017	NA	PeJP	NA	NA
+PJ032592	GDEFFY 	C38H44N6O12	776.3018	NA	PeJP	NA	NA
+PJ032593	VEMMMH 	C31H52N8O9S3	776.302	NA	PeJP	NA	NA
+PJ032594	SEMHHH 	C31H44N12O10S	776.3024	NA	PeJP	NA	NA
+PJ032595	MMFYW 	C39H48N6O7S2	776.3026	NA	PeJP	NA	NA
+MJ094023	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,10-Dibenzoyl, 4,7,9,13-tetra-Ac 	C42H48O14	776.304406	NA	MeJP	NA	NA
+MJ094024	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7-Dibenzoyl, 4,9,10,13-tetra-Ac 	C42H48O14	776.304406	NA	MeJP	NA	NA
+MJ094025	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 9,10-Dibenzoyl, 2,4,7,13-tetra-Ac 	C42H48O14	776.304406	NA	MeJP	NA	NA
+PJ032596	GSNNDDR 	C27H44N12O15	776.3049	NA	PeJP	NA	NA
+PJ032597	GGGSNDDR 	C27H44N12O15	776.305	NA	PeJP	NA	NA
+PJ032598	ATEMYY 	C35H48N6O12S	776.3051	NA	PeJP	NA	NA
+PJ032599	GSSCMHR 	C28H48N12O10S2	776.3058	NA	PeJP	NA	NA
+PJ032600	AMMMFF 	C36H52N6O7S3	776.306	NA	PeJP	NA	NA
+PJ032601	GCQHFW 	C36H44N10O8S	776.3065	NA	PeJP	NA	NA
+PJ032602	LEEEEE 	C31H48N6O17	776.3076	NA	PeJP	NA	NA
+PJ032603	SSSSSHW 	C32H44N10O13	776.3089	NA	PeJP	NA	NA
+PJ032604	GDDERW 	C32H44N10O13	776.309	NA	PeJP	NA	NA
+PJ032605	TCCKHW 	C33H48N10O8S2	776.3098	NA	PeJP	NA	NA
+PJ032606	PCWWW 	C41H44N8O6S	776.3105	NA	PeJP	NA	NA
+PJ032607	GSPDDMR 	C29H48N10O13S	776.3123	NA	PeJP	NA	NA
+PJ032608	GGGGAAQEM 	C29H48N10O13S	776.3124	NA	PeJP	NA	NA
+PJ032609	QEEWW 	C37H44N8O11	776.313	NA	PeJP	NA	NA
+PJ032610	APPCCMR 	C30H52N10O8S3	776.3132	NA	PeJP	NA	NA
+C15736	Patellamide B	C38H48N8O6S2	776.3138	NA	KEGG	NA	NA
+C15737	Patellamide D	C38H48N8O6S2	776.3138	NA	KEGG	NA	NA
+MJ094026	Patellamide B 	C38H48N8O6S2	776.313822	NA	MeJP	NA	NA
+MJ094027	Patellamide D 	C38H48N8O6S2	776.313822	NA	MeJP	NA	NA
+PJ032611	SPQEMW 	C34H48N8O11S	776.3163	NA	PeJP	NA	NA
+PJ032612	PTNEMW 	C34H48N8O11S	776.3164	NA	PeJP	NA	NA
+PJ032613	DFFYW 	C42H44N6O9	776.317	NA	PeJP	NA	NA
+PJ032614	PCHHHF 	C35H44N12O7S	776.3177	NA	PeJP	NA	NA
+PJ032615	SSPTQEE 	C30H48N8O16	776.3188	NA	PeJP	NA	NA
+PJ032616	NKEEEE 	C30H48N8O16	776.3189	NA	PeJP	NA	NA
+PJ032617	AAPQEMM 	C31H52N8O11S2	776.3197	NA	PeJP	NA	NA
+PJ032618	GSPNEHH 	C31H44N12O12	776.3202	NA	PeJP	NA	NA
+PJ032619	GPMFYY 	C39H48N6O9S	776.3204	NA	PeJP	NA	NA
+PJ032620	CLMHHH 	C32H48N12O7S2	776.3211	NA	PeJP	NA	NA
+PJ032621	TTTEYY 	C35H48N6O14	776.3229	NA	PeJP	NA	NA
+PJ032622	SSSTCHR 	C28H48N12O12S	776.3236	NA	PeJP	NA	NA
+PJ032623	GLMMYY 	C36H52N6O9S2	776.3237	NA	PeJP	NA	NA
+PJ032624	DDRWW 	C36H44N10O10	776.3242	NA	PeJP	NA	NA
+PJ032625	CCKMHR 	C29H52N12O7S3	776.3244	NA	PeJP	NA	NA
+PJ032626	SPCERW 	C33H48N10O10S	776.3276	NA	PeJP	NA	NA
+PJ032627	AEWWW 	C41H44N8O8	776.3282	NA	PeJP	NA	NA
+PJ032628	SQEEER 	C29H48N10O15	776.3301	NA	PeJP	NA	NA
+PJ032629	PNEMMR 	C30H52N10O10S2	776.331	NA	PeJP	NA	NA
+PJ032630	NNQQHH 	C30H44N14O11	776.3314	NA	PeJP	NA	NA
+PJ032631	GGGGGAQHH 	C30H44N14O11	776.3315	NA	PeJP	NA	NA
+PJ032632	GPTMWW 	C38H48N8O8S	776.3316	NA	PeJP	NA	NA
+PJ032633	GKEEEW 	C34H48N8O13	776.3341	NA	PeJP	NA	NA
+PJ032634	CNNDRR 	C27H48N14O11S	776.3348	NA	PeJP	NA	NA
+PJ032635	PVNMMW 	C35H52N8O8S2	776.335	NA	PeJP	NA	NA
+PJ032636	SPNHHW 	C35H44N12O9	776.3354	NA	PeJP	NA	NA
+PJ032637	GGSPHHW 	C35H44N12O9	776.3355	NA	PeJP	NA	NA
+PJ032638	MFFFW 	C43H48N6O6S	776.3356	NA	PeJP	NA	NA
+PJ032639	GSPKEEM 	C31H52N8O13S	776.3375	NA	PeJP	NA	NA
+PJ032640	APTYYY 	C39H48N6O11	776.3381	NA	PeJP	NA	NA
+PJ032641	APPCKMM 	C32H56N8O8S3	776.3384	NA	PeJP	NA	NA
+PJ032642	GNNMRW 	C32H48N12O9S	776.3388	NA	PeJP	NA	NA
+PJ032643	SDDERR 	C28H48N12O14	776.3413	NA	PeJP	NA	NA
+PJ032644	GGGGGGGGSSK 	C28H48N12O14	776.3414	NA	PeJP	NA	NA
+PJ032645	STLMYY 	C36H52N6O11S	776.3415	NA	PeJP	NA	NA
+PJ032646	PCDMRR 	C29H52N12O9S2	776.3422	NA	PeJP	NA	NA
+PJ032647	GCKHFW 	C37H48N10O7S	776.3429	NA	PeJP	NA	NA
+PJ032648	ASEERW 	C33H48N10O12	776.3453	NA	PeJP	NA	NA
+PJ032649	GTEERW 	C33H48N10O12	776.3454	NA	PeJP	NA	NA
+PJ032650	GPMMRW 	C34H52N10O7S2	776.3462	NA	PeJP	NA	NA
+PJ032651	VNEEMR 	C30H52N10O12S	776.3487	NA	PeJP	NA	NA
+PJ032652	KEEWW 	C38H48N8O10	776.3494	NA	PeJP	NA	NA
+PJ032653	CKKMMH 	C31H56N10O7S3	776.3496	NA	PeJP	NA	NA
+PJ032654	PCQHHR 	C31H48N14O8S	776.3501	NA	PeJP	NA	NA
+MJ094028	Antibiotic DC 92B 	C42H52N2O12	776.352025	NA	MeJP	NA	NA
+PJ032655	SPKEMW 	C35H52N8O10S	776.3527	NA	PeJP	NA	NA
+PJ032656	GGVVEMW 	C35H52N8O10S	776.3528	NA	PeJP	NA	NA
+PJ032657	VFYYW 	C43H48N6O8	776.3534	NA	PeJP	NA	NA
+PJ032658	DKKEEE 	C31H52N8O15	776.3552	NA	PeJP	NA	NA
+PJ032659	AATKEEE 	C31H52N8O15	776.3553	NA	PeJP	NA	NA
+PJ032660	AAPKEMM 	C32H56N8O10S2	776.3561	NA	PeJP	NA	NA
+PJ032661	SSNQRW 	C32H48N12O11	776.3566	NA	PeJP	NA	NA
+PJ032662	GLMFFY 	C40H52N6O8S	776.3568	NA	PeJP	NA	NA
+PJ032663	SQQQMR 	C29H52N12O11S	776.3599	NA	PeJP	NA	NA
+PJ032664	GEEMRR 	C29H52N12O11S	776.36	NA	PeJP	NA	NA
+PJ032665	TERWW 	C37H48N10O9	776.3606	NA	PeJP	NA	NA
+MJ094029	3,12,30-Trihydroxy-23-oxoeupha-7,24-dien-21,16-olid-28-oic acid, 28-O-?-D-Glucopyranosyl ester, 3,30-di-Ac 	C40H56O15	776.361921	NA	MeJP	NA	NA
+MJ094030	Longicatenamycin 	C36H53ClN8O9	776.362403	NA	MeJP	NA	NA
+PJ032666	GVEMRW 	C34H52N10O9S	776.364	NA	PeJP	NA	NA
+PJ032667	SLWWW 	C42H48N8O7	776.3646	NA	PeJP	NA	NA
+MJ094031	Neomycin B; O5''-?-D-Glucopyranoside 	C29H56N6O18	776.365109	NA	MeJP	NA	NA
+PJ032668	SKEEER 	C30H52N10O14	776.3665	NA	PeJP	NA	NA
+PJ032669	AAPTMMR 	C31H56N10O9S2	776.3673	NA	PeJP	NA	NA
+PJ032670	PDKMMR 	C31H56N10O9S2	776.3674	NA	PeJP	NA	NA
+PJ032671	AQEHHR 	C31H48N14O10	776.3678	NA	PeJP	NA	NA
+PJ032672	AALMWW 	C39H52N8O7S	776.368	NA	PeJP	NA	NA
+PJ032673	SVKEEW 	C35H52N8O12	776.3705	NA	PeJP	NA	NA
+PJ032674	SNNMRR 	C28H52N14O10S	776.3712	NA	PeJP	NA	NA
+PJ032675	PCLKMW 	C36H56N8O7S2	776.3714	NA	PeJP	NA	NA
+PJ032676	GLQHHW 	C36H48N12O8	776.3718	NA	PeJP	NA	NA
+PJ032677	GGALHHW 	C36H48N12O8	776.3719	NA	PeJP	NA	NA
+PJ032678	LQKEEM 	C32H56N8O12S	776.3739	NA	PeJP	NA	NA
+PJ032679	GVLYYY 	C40H52N6O10	776.3745	NA	PeJP	NA	NA
+PJ032680	EMRRW 	C33H52N12O8S	776.3752	NA	PeJP	NA	NA
+PJ032681	STEERR 	C29H52N12O13	776.3777	NA	PeJP	NA	NA
+PJ032682	SPMMRR 	C30H56N12O8S2	776.3786	NA	PeJP	NA	NA
+PJ032683	GDHHRR 	C30H48N16O9	776.3791	NA	PeJP	NA	NA
+PJ032684	VMRWW 	C38H52N10O6S	776.3792	NA	PeJP	NA	NA
+PJ032685	SSLERW 	C34H52N10O11	776.3817	NA	PeJP	NA	NA
+PJ032686	GGGGAAPKY 	C34H52N10O11	776.3818	NA	PeJP	NA	NA
+PJ032687	AAHHRW 	C35H48N14O7	776.3831	NA	PeJP	NA	NA
+PJ032688	VDKEMR 	C31H56N10O11S	776.3851	NA	PeJP	NA	NA
+PJ032689	ATTLWW 	C39H52N8O9	776.3857	NA	PeJP	NA	NA
+PJ032690	SSVLWW 	C39H52N8O9	776.3858	NA	PeJP	NA	NA
+PJ032691	PCKHHR 	C32H52N14O7S	776.3865	NA	PeJP	NA	NA
+MJ094032	Disorazole A1; 9,10-Diol 	C43H56N2O11	776.38841	NA	MeJP	NA	NA
+MJ094033	Disorazole G3 	C43H56N2O11	776.38841	NA	MeJP	NA	NA
+PJ032692	GSSSQRR 	C28H52N14O12	776.3889	NA	PeJP	NA	NA
+PJ032693	GGGSSTRR 	C28H52N14O12	776.389	NA	PeJP	NA	NA
+PJ032694	ALKEMW 	C36H56N8O9S	776.3891	NA	PeJP	NA	NA
+PJ032695	GLFFFF 	C44H52N6O7	776.3898	NA	PeJP	NA	NA
+PJ032696	GTTLKEE 	C32H56N8O14	776.3916	NA	PeJP	NA	NA
+MJ094034	Furobiclausarin 	C48H56O9	776.392433	NA	MeJP	NA	NA
+PJ032697	GPTLKMM 	C33H60N8O9S2	776.3925	NA	PeJP	NA	NA
+PJ032698	SSNKRW 	C33H52N12O10	776.393	NA	PeJP	NA	NA
+7737	NA	IAYKPEG	776.393	antioxidative	Inhouse_peptide	NA	peptide
+PJ032699	SVEMRR 	C30H56N12O10S	776.3963	NA	PeJP	NA	NA
+PJ032700	GGGATKMR 	C30H56N12O10S	776.3964	NA	PeJP	NA	NA
+PJ032701	GPVRYW 	C38H52N10O8	776.397	NA	PeJP	NA	NA
+PJ032702	ATLMRW 	C35H56N10O8S	776.4004	NA	PeJP	NA	NA
+PJ032703	PTTTTTR 	C31H56N10O13	776.4028	NA	PeJP	NA	NA
+PJ032704	GTTTLER 	C31H56N10O13	776.4029	NA	PeJP	NA	NA
+PJ032705	VLQMMR 	C32H60N10O8S2	776.4037	NA	PeJP	NA	NA
+PJ032706	GNQFRR 	C32H52N14O9	776.4042	NA	PeJP	NA	NA
+PJ032707	TTLKEW 	C36H56N8O11	776.4069	NA	PeJP	NA	NA
+PJ032708	SCQKRR 	C29H56N14O9S	776.4076	NA	PeJP	NA	NA
+PJ032709	PRRYW 	C37H52N12O7	776.4082	NA	PeJP	NA	NA
+PJ032710	SPTTLKM 	C33H60N8O11S	776.4102	NA	PeJP	NA	NA
+PJ032711	LKKEEM 	C33H60N8O11S	776.4103	NA	PeJP	NA	NA
+PJ032712	GCKKRW 	C34H56N12O7S	776.4116	NA	PeJP	NA	NA
+PJ032713	GSSDKKR 	C30H56N12O12	776.4141	NA	PeJP	NA	NA
+PJ032714	ALMMRR 	C31H60N12O7S2	776.415	NA	PeJP	NA	NA
+PJ032715	ATHHRR 	C31H52N16O8	776.4154	NA	PeJP	NA	NA
+MJ094035	Aplasmomycin 	C40H60BO14(-)	776.415437	NA	MeJP	NA	NA
+PJ032716	TTTLRW 	C35H56N10O10	776.4181	NA	PeJP	NA	NA
+MJ094036	1,6,10,14-Phytatetraene-3,17-diol, 17-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside 	C38H64O16	776.419436	NA	MeJP	NA	NA
+MJ094037	1,6,10,14-Phytatetraene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 17-O-?-D-glucopyranoside 	C38H64O16	776.419436	NA	MeJP	NA	NA
+PJ032717	TLKEMR 	C32H60N10O10S	776.4215	NA	PeJP	NA	NA
+PJ032718	APLKYW 	C40H56N8O8	776.4221	NA	PeJP	NA	NA
+PJ032719	GAALLFW 	C40H56N8O8	776.4222	NA	PeJP	NA	NA
+PJ032720	GSSSKRR 	C29H56N14O11	776.4253	NA	PeJP	NA	NA
+PJ032721	SLLKMW 	C37H60N8O8S	776.4255	NA	PeJP	NA	NA
+PJ032722	SSTLLKE 	C33H60N8O13	776.428	NA	PeJP	NA	NA
+PJ032723	AALLKMM 	C34H64N8O8S2	776.4289	NA	PeJP	NA	NA
+PJ032724	AQQKFR 	C34H56N12O9	776.4293	NA	PeJP	NA	NA
+PJ032725	SPVRRY 	C34H56N12O9	776.4294	NA	PeJP	NA	NA
+MJ094038	5-Cyclohexyl-2,4,5-trideoxy-N-hexyl-4-[[N-[3-(1-naphthalenyl)-N-(4-morpholinylacetyl)-L-alanyl]-3-(4-thiazolyl)-L-alanyl]amino]-L-threo-pentonamide 	C42H60N6O6S	776.429504	NA	MeJP	NA	NA
+PJ032726	TTLMRR 	C31H60N12O9S	776.4327	NA	PeJP	NA	NA
+PJ032727	GVLFRW 	C39H56N10O7	776.4334	NA	PeJP	NA	NA
+MJ094039	Atratogenin A; 3-O-?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside 	C42H64O13	776.434692	NA	MeJP	NA	NA
+PJ032728	GKKKMW 	C36H60N10O7S	776.4368	NA	PeJP	NA	NA
+3266	NA	KKQRFRHRNRQ	776.4384	MH2+	Inhouse_peptide	NA	peptide
+PJ032729	SSTTLLR 	C32H60N10O12	776.4392	NA	PeJP	NA	NA
+PJ032730	GGSSTLKK 	C32H60N10O12	776.4393	NA	PeJP	NA	NA
+PJ032731	VLKMMR 	C33H64N10O7S2	776.4401	NA	PeJP	NA	NA
+PJ032732	GNKFRR 	C33H56N14O8	776.4406	NA	PeJP	NA	NA
+PJ032733	PLKKEY 	C37H60N8O10	776.4433	NA	PeJP	NA	NA
+PJ032734	SCKKRR 	C30H60N14O8S	776.444	NA	PeJP	NA	NA
+PJ032735	LFRRW 	C38H56N12O6	776.4446	NA	PeJP	NA	NA
+PJ032736	ATTLLKM 	C34H64N8O10S	776.4466	NA	PeJP	NA	NA
+PJ032737	GSTTKKR 	C31H60N12O11	776.4505	NA	PeJP	NA	NA
+PJ032738	STKKKW 	C36H60N10O9	776.4545	NA	PeJP	NA	NA
+PJ032739	DKKKKM 	C33H64N10O9S	776.4579	NA	PeJP	NA	NA
+PJ032740	ALLKFW 	C41H60N8O7	776.4585	NA	PeJP	NA	NA
+PJ032741	TTTTLLK 	C34H64N8O12	776.4644	NA	PeJP	NA	NA
+PJ032742	GLLRRY 	C35H60N12O8	776.4657	NA	PeJP	NA	NA
+PJ032743	GAAKKFR 	C35H60N12O8	776.4658	NA	PeJP	NA	NA
+PJ032744	SKKKMR 	C32H64N12O8S	776.4691	NA	PeJP	NA	NA
+MJ094040	Antibiotic PC 766B 	C43H68O12	776.471077	NA	MeJP	NA	NA
+PJ032745	SSSLKKK 	C33H64N10O11	776.4756	NA	PeJP	NA	NA
+PJ032746	PVLHRR 	C34H60N14O7	776.477	NA	PeJP	NA	NA
+PJ032747	LLLQKY 	C38H64N8O9	776.4797	NA	PeJP	NA	NA
+PJ032748	VVLKRY 	C37H64N10O8	776.4909	NA	PeJP	NA	NA
+MJ094041	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-arabinitol-1-yl ester 	C40H72O14	776.492207	NA	MeJP	NA	NA
+MJ094042	Roselipin 1A 	C40H72O14	776.492207	NA	MeJP	NA	NA
+MJ094043	Caracasandiamide 	C42H64N8O6	776.494881	NA	MeJP	NA	NA
+3197	crabolin from venom of European hornet Vespa crabr	FLPLILRKIVTALG	776.49595	MH2+	Inhouse_peptide	NA	peptide
+PJ032749	AKKKFR 	C36H64N12O7	776.5021	NA	PeJP	NA	NA
+MJ094044	Oligomycin D 	C44H72O11	776.507463	NA	MeJP	NA	NA
+C11314	Oligomycin D	C44H72O11	776.5075	NA	KEGG	NA	NA
+PJ032750	LLLKKY 	C39H68N8O8	776.516	NA	PeJP	NA	NA
+PJ032751	PPPIILK 	C39H68N8O8	776.5161	NA	PeJP	NA	NA
+PJ032752	VKKKKF 	C38H68N10O7	776.5273	NA	PeJP	NA	NA
+MJ094045	Bihoromycin 	C41H76O13	776.528592	NA	MeJP	NA	NA
+HMDB10603	PG(18:0/18:1(11Z))	C42H81O10P	776.556763	NA	HMDB2010	NA	NA
+HMDB10604	PG(18:0/18:1(9Z))	C42H81O10P	776.556763	NA	HMDB2010	NA	NA
+HMDB10617	PG(18:1(11Z)/18:0)	C42H81O10P	776.556763	NA	HMDB2010	NA	NA
+HMDB10632	PG(18:1(9Z)/18:0)	C42H81O10P	776.556763	NA	HMDB2010	NA	NA
+MJ094046	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-pentadecanoyl 	C49H76O7	776.559104	NA	MeJP	NA	NA
+MetaCyc04129	L-thyroxine [levothyroxine;thyroxin;dextrathyroxine;eltroxin;synthroid;levothroid;t4;dynothel;thyroxine;L-thyroxine;]	C15H11N1O4I4	776.68668	51-48-9	metacyc	NA	NA
+MetaCyc04130	thyroxine [2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid;]	C15H11N1O4I4	776.68668	NA	metacyc	NA	NA
+MetaCyc04131	thyroxine []	C15H11N1O4I4	776.68668	7488-70-2	metacyc	NA	NA
+MJ094047	O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine 	C15H11I4NO4	776.686681	NA	MeJP	NA	NA
+MJ094048	Thyroxine 	C15H11I4NO4	776.686681	NA	MeJP	NA	NA
+C01829	O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine	C15H11I4NO4	776.6867	NA	KEGG	NA	NA
+HMDB00248	Thyroxine	C15H11I4NO4	776.686707	NA	HMDB2010	NA	NA
+HMDB00248	Thyroxine	C15H11I4NO4	776.68671	http://www.hmdb.ca/metabolites/HMDB00248	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00248	Thyroxine	C15H11I4NO4	776.68671	http://www.hmdb.ca/metabolites/HMDB00248	HMDB	NA	NA
+HMDB00248	Thyroxine	C15H11I4NO4	776.68671	NA  ;SYN:3-methoxytyrosine; 3-methoxy-tyrosine; l-3-Methoxy tyrosine; L-3-Methoxytyrosine; 3-O-Methyldopa; L-4-Hydroxy-3-methoxyphenylalanine; vanilalanineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB00248	Thyroxine	C15H11I4NO4	776.68671	http://www.hmdb.ca/metabolites/HMDB00248	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00248	Thyroxine	C15H11I4NO4	776.68671	HMDB00248	PFEM_hmdb_metabocards_official	NA	NA
+EUR645	L-Thyroxine [M+H]+	NA	776.686775	10.19	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR645	L-Thyroxine [M+H]+	NA	776.686775	10.19	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR645	L-Thyroxine [M+H]+	NA	776.686775	10.19	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR645	L-Thyroxine [M+H]+	NA	776.686775	10.19	Inhousejuil11	NA	NA
+HMDB10412	TG(16:0/14:0/16:1(9Z))[iso6]	C49H92O6	776.689392	NA	HMDB2010	NA	NA
+MJ094049	14-Taraxeren-3-ol, O-Tetracosanoyl 	C54H96O2	776.741032	NA	MeJP	NA	NA
+MJ094050	18-Oleanen-3-ol, O-Tetracosanoyl 	C54H96O2	776.741032	NA	MeJP	NA	NA
+MJ094051	20(29)-Lupen-3-ol, Tetracosanoyl 	C54H96O2	776.741032	NA	MeJP	NA	NA
+MJ094052	Iomeprol 	C17H22I3N3O8	776.854094	NA	MeJP	NA	NA
+MJ094053	Iopamidol 	C17H22I3N3O8	776.854094	NA	MeJP	NA	NA
+3009	kinases inhibitor	KKKLRRQEAVDAL	776.96045	MH2+	Inhouse_peptide	NA	peptide
+PJ032753	CCCCCDE 	C24H39N7O12S5	777.1261	NA	PeJP	NA	NA
+PJ032754	SCCCCEM 	C25H43N7O11S5	777.1624	NA	PeJP	NA	NA
+PJ032755	GCCCDDY 	C28H39N7O13S3	777.1768	NA	PeJP	NA	NA
+PJ032756	PCCCCCF 	C29H43N7O8S5	777.1777	NA	PeJP	NA	NA
+PJ032757	GCCCMMM 	C26H47N7O8S6	777.1811	NA	PeJP	NA	NA
+PJ032758	SPCCCCY 	C29H43N7O10S4	777.1954	NA	PeJP	NA	NA
+PJ032759	GCCCDMF 	C29H43N7O10S4	777.1955	NA	PeJP	NA	NA
+PJ032760	STCCCMM 	C26H47N7O10S5	777.1988	NA	PeJP	NA	NA
+PJ032761	GCCDDEH 	C27H39N9O14S2	777.2058	NA	PeJP	NA	NA
+PJ032762	GSCCDMY 	C29H43N7O12S3	777.2132	NA	PeJP	NA	NA
+PJ032763	CCDDHW 	C31H39N9O11S2	777.2211	NA	PeJP	NA	NA
+PJ032764	SSCDDDH 	C27H39N9O16S	777.2236	NA	PeJP	NA	NA
+PJ032765	SPCCCEH 	C28H43N9O11S3	777.2244	NA	PeJP	NA	NA
+PJ032766	TCCCYW 	C33H43N7O9S3	777.2285	NA	PeJP	NA	NA
+PJ032767	SPDDDDD 	C28H39N7O19	777.2301	NA	PeJP	NA	NA
+PJ032768	SSSCCEY 	C29H43N7O14S2	777.231	NA	PeJP	NA	NA
+PJ032769	CCQMMY 	C30H47N7O9S4	777.2318	NA	PeJP	NA	NA
+PJ032770	GCCNNMH 	C27H43N11O10S3	777.2357	NA	PeJP	NA	NA
+PJ032771	GNNDDDE 	C27H39N9O18	777.2413	NA	PeJP	NA	NA
+PJ032772	GGGNDDDE 	C27H39N9O18	777.2414	NA	PeJP	NA	NA
+PJ032773	GSCDEMH 	C28H43N9O13S2	777.2422	NA	PeJP	NA	NA
+PJ032774	CCCMRY 	C29H47N9O8S4	777.2431	NA	PeJP	NA	NA
+PJ032775	CCNEFY 	C33H43N7O11S2	777.2462	NA	PeJP	NA	NA
+MJ094054	Perdeacylisowilfordine; 8-Ketone, 1,2,6,9,14-penta-Ac 	C36H43NO18	777.248013	NA	MeJP	NA	NA
+MJ094055	Perdeacylwilfortrine; 8-Ketone, 1,2,6,9,14-penta-Ac 	C36H43NO18	777.248013	NA	MeJP	NA	NA
+PJ032776	GPDDDEM 	C29H43N7O16S	777.2487	NA	PeJP	NA	NA
+PJ032777	GSSCMMY 	C30H47N7O11S3	777.2496	NA	PeJP	NA	NA
+MJ094056	Dactylocycline F 	C36H44ClN3O14	777.25118	NA	MeJP	NA	NA
+PJ032778	SSCCNQH 	C27H43N11O12S2	777.2534	NA	PeJP	NA	NA
+PJ032779	GGGGSTCCH 	C27H43N11O12S2	777.2535	NA	PeJP	NA	NA
+PJ032780	NNDDDW 	C31H39N9O15	777.2566	NA	PeJP	NA	NA
+MJ094057	Ecteinascidin 743; N-Oxide 	C39H43N3O12S	777.256744	NA	MeJP	NA	NA
+PJ032781	SCDMHW 	C32H43N9O10S2	777.2575	NA	PeJP	NA	NA
+PJ032782	SSSDDMH 	C28H43N9O15S	777.26	NA	PeJP	NA	NA
+PJ032783	NDMMMH 	C29H47N9O10S3	777.2608	NA	PeJP	NA	NA
+PJ032784	GGGGPPCCM 	C29H47N9O10S3	777.2609	NA	PeJP	NA	NA
+PJ032785	GCCFYW 	C37H43N7O8S2	777.2615	NA	PeJP	NA	NA
+MJ094058	Antibiotic SF 2575 	C40H43NO15	777.263269	NA	MeJP	NA	NA
+PJ032786	PDDDMW 	C33H43N7O13S	777.264	NA	PeJP	NA	NA
+PJ032787	CCQMFF 	C34H47N7O8S3	777.2649	NA	PeJP	NA	NA
+PJ032788	NEEEEE 	C29H43N7O18	777.2665	NA	PeJP	NA	NA
+PJ032789	SSSTCMY 	C30H47N7O13S2	777.2673	NA	PeJP	NA	NA
+PJ032790	SPPCDEM 	C30H47N7O13S2	777.2674	NA	PeJP	NA	NA
+PJ032791	CCKMMY 	C31H51N7O8S4	777.2682	NA	PeJP	NA	NA
+PJ032792	GSSSSCNH 	C27H43N11O14S	777.2712	NA	PeJP	NA	NA
+PJ032793	CCEMHR 	C28H47N11O9S3	777.2721	NA	PeJP	NA	NA
+PJ032794	GSPCNDW 	C32H43N9O12S	777.2752	NA	PeJP	NA	NA
+PJ032795	ACMMHW 	C33H47N9O7S3	777.2761	NA	PeJP	NA	NA
+PJ032796	DDDEER 	C28H43N9O17	777.2777	NA	PeJP	NA	NA
+PJ032797	GSSEMMH 	C29H47N9O12S2	777.2786	NA	PeJP	NA	NA
+PJ032798	GSCYYW 	C37H43N7O10S	777.2792	NA	PeJP	NA	NA
+PJ032799	CNMHHH 	C30H43N13O8S2	777.2799	NA	PeJP	NA	NA
+PJ032800	ADEEEW 	C33H43N7O15	777.2817	NA	PeJP	NA	NA
+PJ032801	GEEEEW 	C33H43N7O15	777.2818	NA	PeJP	NA	NA
+PJ032802	GNMMYY 	C34H47N7O10S2	777.2826	NA	PeJP	NA	NA
+PJ032803	GSPEEEM 	C30H47N7O15S	777.2851	NA	PeJP	NA	NA
+PJ032804	GPPDMMM 	C31H51N7O10S3	777.286	NA	PeJP	NA	NA
+PJ032805	CNNNQW 	C31H43N11O11S	777.2864	NA	PeJP	NA	NA
+PJ032806	GGCNNQW 	C31H43N11O11S	777.2865	NA	PeJP	NA	NA
+MJ094059	Trenudine; 5'-Ketone, N'-Me 	C37H48ClN3O13	777.287566	NA	MeJP	NA	NA
+PJ032807	SSNNNNE 	C27H43N11O16	777.2889	NA	PeJP	NA	NA
+PJ032808	GSNDDDR 	C27H43N11O16	777.289	NA	PeJP	NA	NA
+PJ032809	GPCCNER 	C28H47N11O11S2	777.2898	NA	PeJP	NA	NA
+PJ032810	GCEHFW 	C36H43N9O9S	777.2905	NA	PeJP	NA	NA
+PJ032811	SNNEEW 	C32H43N9O14	777.293	NA	PeJP	NA	NA
+PJ032812	SSMMHW 	C33H47N9O9S2	777.2938	NA	PeJP	NA	NA
+PJ032813	GGPCQMW 	C33H47N9O9S2	777.2939	NA	PeJP	NA	NA
+PJ032814	SSSTEMH 	C29H47N9O14S	777.2963	NA	PeJP	NA	NA
+PJ032815	GGQQEEM 	C29H47N9O14S	777.2964	NA	PeJP	NA	NA
+PJ032816	EEEWW 	C37H43N7O12	777.297	NA	PeJP	NA	NA
+PJ032817	TQMMMH 	C30H51N9O9S3	777.2972	NA	PeJP	NA	NA
+PJ032818	GSTCHHH 	C30H43N13O10S	777.2977	NA	PeJP	NA	NA
+PJ032819	SPEEMW 	C34H47N7O12S	777.3004	NA	PeJP	NA	NA
+PJ032820	CCKMFF 	C35H51N7O7S3	777.3012	NA	PeJP	NA	NA
+PJ032821	DKEEEE 	C30H47N7O17	777.3029	NA	PeJP	NA	NA
+PJ032822	AAPEEMM 	C31H51N7O12S2	777.3037	NA	PeJP	NA	NA
+PJ032823	GPVDEMM 	C31H51N7O12S2	777.3038	NA	PeJP	NA	NA
+PJ032824	GSSNNNW 	C31H43N11O13	777.3042	NA	PeJP	NA	NA
+PJ032825	PCCNRW 	C32H47N11O8S2	777.3051	NA	PeJP	NA	NA
+PJ032826	CHFWW 	C40H43N9O6S	777.3057	NA	PeJP	NA	NA
+PJ032827	NNDEMR 	C28H47N11O13S	777.3076	NA	PeJP	NA	NA
+PJ032828	GSNEWW 	C36H43N9O11	777.3082	NA	PeJP	NA	NA
+PJ032829	TCMMHR 	C29H51N11O8S3	777.3085	NA	PeJP	NA	NA
+PJ032830	GQQEMW 	C33H47N9O11S	777.3116	NA	PeJP	NA	NA
+PJ032831	SEEEER 	C29H47N9O16	777.3141	NA	PeJP	NA	NA
+PJ032832	PDEMMR 	C30H51N9O11S2	777.315	NA	PeJP	NA	NA
+PJ032833	SSSSHHH 	C30H43N13O12	777.3154	NA	PeJP	NA	NA
+PJ032834	GGNQEHH 	C30H43N13O12	777.3155	NA	PeJP	NA	NA
+PJ032835	PPCEFW 	C38H47N7O9S	777.3156	NA	PeJP	NA	NA
+PJ032836	SVEEEW 	C34H47N7O14	777.3181	NA	PeJP	NA	NA
+PJ032837	CNDDRR 	C27H47N13O12S	777.3188	NA	PeJP	NA	NA
+PJ032838	PVDMMW 	C35H51N7O9S2	777.319	NA	PeJP	NA	NA
+PJ032839	SPDHHW 	C35H43N11O10	777.3195	NA	PeJP	NA	NA
+PJ032840	LQEEEM 	C31H51N7O14S	777.3215	NA	PeJP	NA	NA
+PJ032841	APPTMMM 	C32H55N7O9S3	777.3224	NA	PeJP	NA	NA
+PJ032842	GNDMRW 	C32H47N11O10S	777.3228	NA	PeJP	NA	NA
+PJ032843	GGGDMRW 	C32H47N11O10S	777.3229	NA	PeJP	NA	NA
+PJ032844	SNWWW 	C40H43N9O8	777.3235	NA	PeJP	NA	NA
+MJ094060	Maytansine; 15-Acetoxy, N2'-de-Ac, N2'-(2-methylpropanoyl) 	C38H52ClN3O12	777.323951	NA	MeJP	NA	NA
+PJ032845	GSSNEER 	C28H47N11O15	777.3253	NA	PeJP	NA	NA
+PJ032846	GGGSSEER 	C28H47N11O15	777.3254	NA	PeJP	NA	NA
+MJ094061	Milliamine C; 20-Ac, N-de-Me 	C44H47N3O10	777.326144	NA	MeJP	NA	NA
+PJ032847	GSPCQMR 	C29H51N11O10S2	777.3262	NA	PeJP	NA	NA
+PJ032848	QQMWW 	C37H47N9O8S	777.3268	NA	PeJP	NA	NA
+PJ032849	GAQMWW 	C37H47N9O8S	777.3269	NA	PeJP	NA	NA
+PJ032850	SSSPTHY 	C33H47N9O13	777.3293	NA	PeJP	NA	NA
+PJ032851	SNDKEW 	C33H47N9O13	777.3294	NA	PeJP	NA	NA
+PJ032852	PCNKMW 	C34H51N9O8S2	777.3302	NA	PeJP	NA	NA
+PJ032853	GNQHHW 	C34H43N13O9	777.3307	NA	PeJP	NA	NA
+PJ032854	VDEEMR 	C30H51N9O13S	777.3327	NA	PeJP	NA	NA
+PJ032855	GGGAKEEM 	C30H51N9O13S	777.3328	NA	PeJP	NA	NA
+PJ032856	SPPEYW 	C38H47N7O11	777.3334	NA	PeJP	NA	NA
+PJ032857	TKMMMH 	C31H55N9O8S3	777.3336	NA	PeJP	NA	NA
+PJ032858	PCEHHR 	C31H47N13O9S	777.3341	NA	PeJP	NA	NA
+MJ094062	Taxol?; N-Debenzoyl, N-butanoyl, 10-de-Ac 	C42H51NO13	777.33604	NA	MeJP	NA	NA
+PJ032859	SSSNNNR 	C27H47N13O14	777.3366	NA	PeJP	NA	NA
+PJ032860	SSKMYY 	C35H51N7O11S	777.3367	NA	PeJP	NA	NA
+PJ032861	ALEEMW 	C35H51N7O11S	777.3368	NA	PeJP	NA	NA
+PJ032862	GSPCCRR 	C28H51N13O9S2	777.3375	NA	PeJP	NA	NA
+PJ032863	CQRWW 	C36H47N11O7S	777.3381	NA	PeJP	NA	NA
+PJ032864	PTTTTEE 	C31H51N7O16	777.3392	NA	PeJP	NA	NA
+PJ032865	GTTLEEE 	C31H51N7O16	777.3393	NA	PeJP	NA	NA
+PJ032866	GPTLEMM 	C32H55N7O11S2	777.3401	NA	PeJP	NA	NA
+PJ032867	SSNERW 	C32H47N11O12	777.3406	NA	PeJP	NA	NA
+PJ032868	GMMHFR 	C33H51N11O7S2	777.3415	NA	PeJP	NA	NA
+PJ032869	PNHHHH 	C33H43N15O8	777.3419	NA	PeJP	NA	NA
+PJ032870	GGPHHHH 	C33H43N15O8	777.342	NA	PeJP	NA	NA
+PJ032871	SQQEMR 	C29H51N11O12S	777.344	NA	PeJP	NA	NA
+PJ032872	GSDKWW 	C37H47N9O10	777.3446	NA	PeJP	NA	NA
+PJ032873	GQKEMW 	C34H51N9O10S	777.348	NA	PeJP	NA	NA
+PJ032874	GNFFFF 	C42H47N7O8	777.3486	NA	PeJP	NA	NA
+PJ032875	GGGFFFF 	C42H47N7O8	777.3487	NA	PeJP	NA	NA
+MJ094063	Mannosylparomomycin 	C29H55N5O19	777.349124	NA	MeJP	NA	NA
+PJ032876	GSTQKEE 	C30H51N9O15	777.3505	NA	PeJP	NA	NA
+PJ032877	GSPQKMM 	C31H55N9O10S2	777.3514	NA	PeJP	NA	NA
+PJ032878	NNNNFR 	C31H47N13O11	777.3518	NA	PeJP	NA	NA
+PJ032879	GGGGGGNFR 	C31H47N13O11	777.3519	NA	PeJP	NA	NA
+PJ032880	PPCLYW 	C39H51N7O8S	777.352	NA	PeJP	NA	NA
+PJ032881	TTLEEW 	C35H51N7O13	777.3545	NA	PeJP	NA	NA
+PJ032882	SNDMRR 	C28H51N13O11S	777.3552	NA	PeJP	NA	NA
+PJ032883	PTLMMW 	C36H55N7O8S2	777.3554	NA	PeJP	NA	NA
+PJ032884	GSSRWW 	C36H47N11O9	777.3559	NA	PeJP	NA	NA
+PJ032885	LKEEEM 	C32H55N7O13S	777.3579	NA	PeJP	NA	NA
+PJ032886	GPVLMMM 	C33H59N7O8S3	777.3588	NA	PeJP	NA	NA
+PJ032887	GTQMRW 	C33H51N11O9S	777.3592	NA	PeJP	NA	NA
+PJ032888	AAHFFW 	C41H47N9O7	777.3599	NA	PeJP	NA	NA
+PJ032889	GSSDKER 	C29H51N11O14	777.3617	NA	PeJP	NA	NA
+PJ032890	VNQMMR 	C30H55N11O9S2	777.3626	NA	PeJP	NA	NA
+PJ032891	SNQHHR 	C30H47N15O10	777.3631	NA	PeJP	NA	NA
+PJ032892	QKMWW 	C38H51N9O7S	777.3632	NA	PeJP	NA	NA
+PJ032893	GAKMWW 	C38H51N9O7S	777.3633	NA	PeJP	NA	NA
+PJ032894	STQKEW 	C34H51N9O12	777.3657	NA	PeJP	NA	NA
+PJ032895	GGASSTLW 	C34H51N9O12	777.3658	NA	PeJP	NA	NA
+PJ032896	PPMMFR 	C35H55N9O7S2	777.3666	NA	PeJP	NA	NA
+PJ032897	GNKHHW 	C35H47N13O8	777.3671	NA	PeJP	NA	NA
+PJ032898	TLEEMR 	C31H55N9O12S	777.3691	NA	PeJP	NA	NA
+PJ032899	APLEYW 	C39H51N7O10	777.3698	NA	PeJP	NA	NA
+PJ032900	PLMMMR 	C32H59N9O7S3	777.37	NA	PeJP	NA	NA
+PJ032901	GTCRRW 	C32H51N13O8S	777.3705	NA	PeJP	NA	NA
+PJ032902	LHHWW 	C40H47N11O6	777.3711	NA	PeJP	NA	NA
+PJ032903	GSSSERR 	C28H51N13O13	777.373	NA	PeJP	NA	NA
+PJ032904	SLLEMW 	C36H55N7O10S	777.3731	NA	PeJP	NA	NA
+PJ032905	GPVVEMF 	C36H55N7O10S	777.3732	NA	PeJP	NA	NA
+PJ032906	GQMMRR 	C29H55N13O8S2	777.3738	NA	PeJP	NA	NA
+PJ032907	CKRWW 	C37H51N11O6S	777.3745	NA	PeJP	NA	NA
+PJ032908	SSTLLEE 	C32H55N7O15	777.3756	NA	PeJP	NA	NA
+PJ032909	AALLEMM 	C33H59N7O10S2	777.3765	NA	PeJP	NA	NA
+PJ032910	SSDKRW 	C33H51N11O11	777.377	NA	PeJP	NA	NA
+PJ032911	SQKEMR 	C30H55N11O11S	777.3803	NA	PeJP	NA	NA
+PJ032912	TNKEMR 	C30H55N11O11S	777.3804	NA	PeJP	NA	NA
+PJ032913	GTTKWW 	C38H51N9O9	777.381	NA	PeJP	NA	NA
+PJ032914	GKKEMW 	C35H55N9O9S	777.3844	NA	PeJP	NA	NA
+PJ032915	GCMRRR 	C28H55N15O7S2	777.3851	NA	PeJP	NA	NA
+PJ032916	GSTKKEE 	C31H55N9O14	777.3869	NA	PeJP	NA	NA
+PJ032917	GSPKKMM 	C32H59N9O9S2	777.3877	NA	PeJP	NA	NA
+PJ032918	VLEMMR 	C32H59N9O9S2	777.3878	NA	PeJP	NA	NA
+23	Hemoglobin	LGFPTTKTYFPHF	777.388	MH2+	Inhouse_peptide	NA	peptide
+PJ032919	SSSRRW 	C32H51N13O10	777.3882	NA	PeJP	NA	NA
+PJ032920	PVVMFW 	C40H55N7O7S	777.3884	NA	PeJP	NA	NA
+PJ032921	PLKEEY 	C36H55N7O12	777.3909	NA	PeJP	NA	NA
+PJ032922	STQMRR 	C29H55N13O10S	777.3916	NA	PeJP	NA	NA
+PJ032923	VVLMMW 	C37H59N7O7S2	777.3918	NA	PeJP	NA	NA
+PJ032924	AAQFRW 	C37H51N11O8	777.3922	NA	PeJP	NA	NA
+PJ032925	GGGVFRW 	C37H51N11O8	777.3923	NA	PeJP	NA	NA
+PJ032926	ATTLLEM 	C33H59N7O12S	777.3943	NA	PeJP	NA	NA
+PJ032927	GTKMRW 	C34H55N11O8S	777.3956	NA	PeJP	NA	NA
+PJ032928	GSTTKER 	C30H55N11O13	777.3981	NA	PeJP	NA	NA
+PJ032929	VNKMMR 	C31H59N11O8S2	777.399	NA	PeJP	NA	NA
+PJ032930	SNKHHR 	C31H51N15O9	777.3995	NA	PeJP	NA	NA
+PJ032931	KKMWW 	C39H55N9O6S	777.3996	NA	PeJP	NA	NA
+PJ032932	STKKEW 	C35H55N9O11	777.4021	NA	PeJP	NA	NA
+MJ094064	Splenopentin; N2-Ac-Arg, N6-Ac-Lys 	C35H55N9O11	777.402103	NA	MeJP	NA	NA
+PJ032933	GGGGAALLY 	C35H55N9O11	777.4022	NA	PeJP	NA	NA
+PJ032934	STCRRR 	C28H55N15O9S	777.4028	NA	PeJP	NA	NA
+PJ032935	NFRRW 	C36H51N13O7	777.4035	NA	PeJP	NA	NA
+PJ032936	DKKKEM 	C32H59N9O11S	777.4055	NA	PeJP	NA	NA
+PJ032937	SPLLYW 	C40H55N7O9	777.4061	NA	PeJP	NA	NA
+PJ032938	PVTLYW 	C40H55N7O9	777.4062	NA	PeJP	NA	NA
+PJ032939	VVMHHR 	C33H55N13O7S	777.4069	NA	PeJP	NA	NA
+MJ094065	Ganefromycin ?; 23?-(Phenylacetoxy) 	C44H59NO11	777.408811	NA	MeJP	NA	NA
+PJ032940	GSTTTRR 	C29H55N13O12	777.4093	NA	PeJP	NA	NA
+PJ032941	AAPLLMY 	C37H59N7O9S	777.4095	NA	PeJP	NA	NA
+PJ032942	GKMMRR 	C30H59N13O7S2	777.4102	NA	PeJP	NA	NA
+PJ032943	TTTTLLE 	C33H59N7O14	777.412	NA	PeJP	NA	NA
+PJ032944	GTLLLMM 	C34H63N7O9S2	777.4129	NA	PeJP	NA	NA
+PJ032945	STTKRW 	C34H55N11O10	777.4134	NA	PeJP	NA	NA
+PJ032946	SKKEMR 	C31H59N11O10S	777.4167	NA	PeJP	NA	NA
+PJ032947	GGGTCKKK 	C31H59N11O10S	777.4168	NA	PeJP	NA	NA
+PJ032948	GPKKYW 	C39H55N9O8	777.4174	NA	PeJP	NA	NA
+PJ032949	SVKKMW 	C36H59N9O8S	777.4208	NA	PeJP	NA	NA
+PJ032950	STTTLQK 	C32H59N9O13	777.4232	NA	PeJP	NA	NA
+PJ032951	SSSLKKE 	C32H59N9O13	777.4233	NA	PeJP	NA	NA
+2663	synthetic fr, of human beta-CN (137-143) ACE inhibitor	QVPQPIP	777.424	NA	Inhouse_peptide	NA	peptide
+PJ032952	LQKKMM 	C33H63N9O8S2	777.4241	NA	PeJP	NA	NA
+PJ032953	GVQRRY 	C33H55N13O9	777.4246	NA	PeJP	NA	NA
+PJ032954	LLLQEY 	C37H59N7O11	777.4273	NA	PeJP	NA	NA
+PJ032955	STKMRR 	C30H59N13O9S	777.428	NA	PeJP	NA	NA
+PJ032956	AAKFRW 	C38H55N11O7	777.4286	NA	PeJP	NA	NA
+PJ032957	STTLLLM 	C34H63N7O11S	777.4306	NA	PeJP	NA	NA
+PJ032958	VTTTLLM 	C34H63N7O11S	777.4307	NA	PeJP	NA	NA
+PJ032959	PCKKFR 	C35H59N11O7S	777.432	NA	PeJP	NA	NA
+PJ032960	SSSTLKR 	C31H59N11O12	777.4345	NA	PeJP	NA	NA
+PJ032961	CLKKMR 	C32H63N11O7S2	777.4354	NA	PeJP	NA	NA
+PJ032962	QRRRY 	C32H55N15O8	777.4358	NA	PeJP	NA	NA
+PJ032963	GGPVHRR 	C32H55N15O8	777.4359	NA	PeJP	NA	NA
+PJ032964	VVLERY 	C36H59N9O10	777.4385	NA	PeJP	NA	NA
+PJ032965	GTTLKKM 	C33H63N9O10S	777.4419	NA	PeJP	NA	NA
+PJ032966	ALLLYW 	C41H59N7O8	777.4425	NA	PeJP	NA	NA
+PJ032967	GPVVLFF 	C41H59N7O8	777.4426	NA	PeJP	NA	NA
+PJ032968	AALLLMF 	C38H63N7O8S	777.4459	NA	PeJP	NA	NA
+PJ032969	GPHRRR 	C31H55N17O7	777.4471	NA	PeJP	NA	NA
+PJ032970	SLQKFR 	C35H59N11O9	777.4497	NA	PeJP	NA	NA
+PJ032971	SPKKRY 	C35H59N11O9	777.4498	NA	PeJP	NA	NA
+PJ032972	GSCKKKK 	C32H63N11O9S	777.4531	NA	PeJP	NA	NA
+PJ032973	GLKKFW 	C40H59N9O7	777.4538	NA	PeJP	NA	NA
+PJ032974	VLLMFR 	C37H63N9O7S	777.4572	NA	PeJP	NA	NA
+HMDB12351	PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C42H68NO10P	777.458069	NA	HMDB2010	NA	NA
+HMDB12441	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	C42H68NO10P	777.458069	NA	HMDB2010	NA	NA
+PJ032975	STTTLKK 	C33H63N9O12	777.4596	NA	PeJP	NA	NA
+PJ032976	LKKKMM 	C34H67N9O7S2	777.4605	NA	PeJP	NA	NA
+PJ032977	GVKRRY 	C34H59N13O8	777.461	NA	PeJP	NA	NA
+PJ032978	LLLKEY 	C38H63N7O10	777.4637	NA	PeJP	NA	NA
+MJ094066	Antibiotic FR 900523 	C42H67NO12	777.466326	NA	MeJP	NA	NA
+PJ032979	KRRRY 	C33H59N15O7	777.4722	NA	PeJP	NA	NA
+PJ032980	TLLLRY 	C37H63N9O9	777.4749	NA	PeJP	NA	NA
+PJ032981	ALKKRY 	C36H63N11O8	777.4861	NA	PeJP	NA	NA
+MJ094067	Erythromycin; 14S-(1S-Hydroxyethyl) 	C39H71NO14	777.487455	NA	MeJP	NA	NA
+PJ032982	PLKKHR 	C35H63N13O7	777.4974	NA	PeJP	NA	NA
+MJ094068	Ascomycin; 9-Deoxo 	C43H71NO11	777.502712	NA	MeJP	NA	NA
+PJ032983	VLKKKY 	C38H67N9O8	777.5113	NA	PeJP	NA	NA
+EUR950	PC 34:3 [M+Na]+	C42H78NO8P	777.528453	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR950	PC 34:3 [M+Na]+	C42H78NO8P	777.528453	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR950	PC 34:3 [M+Na]+	C42H78NO8P	777.528453	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR950	PC 34:3 [M+Na]+	C42H78NO8P	777.528453	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07892	PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB07923	PC(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB07924	PC(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08017	PC(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08142	PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08172	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08173	PC(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08205	PC(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08206	PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08237	PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08496	PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08657	PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08690	PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+HMDB08722	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	C44H76NO8P	777.530884	NA	HMDB2010	NA	NA
+PJ032984	PPLLLLL 	C40H71N7O8	777.5364	NA	PeJP	NA	NA
+EUR932	PC 32:1 [M+FA-H]-	C40H78NO8P	777.551387	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR932	PC 32:1 [M+FA-H]-	C40H78NO8P	777.551387	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR932	PC 32:1 [M+FA-H]-	C40H78NO8P	777.551387	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR932	PC 32:1 [M+FA-H]-	C40H78NO8P	777.551387	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09611	PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB09612	PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB09643	PE(22:5(4Z,7Z,10Z,13Z,16Z)/dm18:0)	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB09676	PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB11392	PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB11393	PE(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB11424	PE(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+HMDB11457	PE(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C45H80NO7P	777.567261	NA	HMDB2010	NA	NA
+EUR1077	SM(d18:1/18:0) [M+FA-H]-	C41H84N2O6P	777.611581	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1077	SM(d18:1/18:0) [M+FA-H]-	C41H84N2O6P	777.611581	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1077	SM(d18:1/18:0) [M+FA-H]-	C41H84N2O6P	777.611581	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1077	SM(d18:1/18:0) [M+FA-H]-	C41H84N2O6P	777.611581	masses lipides attendues	Inhousejuil11	NA	NA
+2592	tenecin-1 (16-32)	NDAACAAHCLFRGRSGGG	777.8729	MH2+	Inhouse_peptide	NA	peptide
+MJ094069	Pentafuhalol A; 4''''-O-(3,4,5-Trihydroxyphenyl) 	C36H26O20	778.101743	NA	MeJP	NA	NA
+MJ094070	Pentafuhalol B; 1-O-(2,4,6-Trihydroxyphenyl) 	C36H26O20	778.101743	NA	MeJP	NA	NA
+MJ094071	6'',8'-Bisdiosquinone 	C44H26O14	778.132255	NA	MeJP	NA	NA
+PJ032985	CCCCCNM 	C24H42N8O9S6	778.1399	NA	PeJP	NA	NA
+PJ032986	GSTCCCCC 	C24H42N8O11S5	778.1577	NA	PeJP	NA	NA
+PJ032987	SSSSCCCC 	C24H42N8O13S4	778.1754	NA	PeJP	NA	NA
+PJ032988	GCCCCQY 	C28H42N8O10S4	778.1907	NA	PeJP	NA	NA
+PJ032989	PCCCCNH 	C27H42N10O9S4	778.2019	NA	PeJP	NA	NA
+PJ032990	GGPCCCCH 	C27H42N10O9S4	778.202	NA	PeJP	NA	NA
+PJ032991	SSCCCNY 	C28H42N8O12S3	778.2085	NA	PeJP	NA	NA
+MJ094072	KS 506a 	C40H42O12S2	778.211768	NA	MeJP	NA	NA
+PJ032992	CCEMMY 	C30H46N6O10S4	778.2158	NA	PeJP	NA	NA
+PJ032993	GCCNDMH 	C27H42N10O11S3	778.2197	NA	PeJP	NA	NA
+PJ032994	GNDDDDE 	C27H38N8O19	778.2254	NA	PeJP	NA	NA
+PJ032995	GCCCCKY 	C29H46N8O9S4	778.2271	NA	PeJP	NA	NA
+PJ032996	CCDEFY 	C33H42N6O12S2	778.2302	NA	PeJP	NA	NA
+MJ094073	Plumieride; 13-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxycinnamoyl] 	C36H42O19	778.232029	NA	MeJP	NA	NA
+MJ094074	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,6-di-Ac 	C36H42O19	778.232029	NA	MeJP	NA	NA
+MJ094075	Sucrose; 3',6-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 4,4'-di-Ac 	C36H42O19	778.232029	NA	MeJP	NA	NA
+PJ032997	CCCQHW 	C31H42N10O8S3	778.235	NA	PeJP	NA	NA
+PJ032998	SSCCNEH 	C27H42N10O13S2	778.2375	NA	PeJP	NA	NA
+PJ032999	NDDDDW 	C31H38N8O16	778.2406	NA	PeJP	NA	NA
+PJ033000	CCNNYY 	C32H42N8O11S2	778.2415	NA	PeJP	NA	NA
+PJ033001	SPCNDDE 	C28H42N8O16S	778.244	NA	PeJP	NA	NA
+PJ033002	CEEMMH 	C29H46N8O11S3	778.2448	NA	PeJP	NA	NA
+PJ033003	DDMMMH 	C29H46N8O11S3	778.2449	NA	PeJP	NA	NA
+MJ094076	Hemsleyanoside A 	C40H42O16	778.247285	NA	MeJP	NA	NA
+MJ094077	Hemsleyanoside B 	C40H42O16	778.247285	NA	MeJP	NA	NA
+MJ094078	Pallidol; 3,3''-Di-O-?-D-glucopyranoside 	C40H42O16	778.247285	NA	MeJP	NA	NA
+MJ094079	?-Viniferin, (Z)-Isomer, 3',5'-di-O-?-D-glucopyranoside 	C40H42O16	778.247285	NA	MeJP	NA	NA
+MJ094080	?-Viniferin, 3',5'-Di-O-?-D-glucopyranoside 	C40H42O16	778.247285	NA	MeJP	NA	NA
+PJ033004	SCDEYY 	C33H42N6O14S	778.248	NA	PeJP	NA	NA
+PJ033005	PCCMYY 	C34H46N6O9S3	778.2489	NA	PeJP	NA	NA
+MJ094081	Antibiotic BMY 46164 	C40H43ClN2O12	778.250452	NA	MeJP	NA	NA
+PJ033006	DEEEEE 	C29H42N6O19	778.2505	NA	PeJP	NA	NA
+PJ033007	TCMMMY 	C31H50N6O9S4	778.2522	NA	PeJP	NA	NA
+PJ033008	GSSCCHW 	C31H42N10O10S2	778.2527	NA	PeJP	NA	NA
+PJ033009	GSSSSCDH 	C27H42N10O15S	778.2552	NA	PeJP	NA	NA
+PJ033010	GSCNMMH 	C28H46N10O10S3	778.2561	NA	PeJP	NA	NA
+PJ033011	GSPCDDW 	C32H42N8O13S	778.2592	NA	PeJP	NA	NA
+PJ033012	APPCCCW 	C33H46N8O8S3	778.2601	NA	PeJP	NA	NA
+PJ033013	GSNDEEE 	C28H42N8O18	778.2617	NA	PeJP	NA	NA
+PJ033014	GGGSDEEE 	C28H42N8O18	778.2618	NA	PeJP	NA	NA
+PJ033015	GPNDDMM 	C29H46N8O13S2	778.2626	NA	PeJP	NA	NA
+PJ033016	CDMHHH 	C30H42N12O9S2	778.264	NA	PeJP	NA	NA
+PJ033017	SCNNNNN 	C26H42N12O14S	778.2664	NA	PeJP	NA	NA
+PJ033018	GGGGSCNNN 	C26H42N12O14S	778.2665	NA	PeJP	NA	NA
+PJ033019	GDMMYY 	C34H46N6O11S2	778.2666	NA	PeJP	NA	NA
+PJ033020	GTCCCHR 	C27H46N12O9S3	778.2673	NA	PeJP	NA	NA
+PJ033021	CNNNEW 	C31H42N10O12S	778.2705	NA	PeJP	NA	NA
+PJ033022	CCCKHW 	C32H46N10O7S3	778.2713	NA	PeJP	NA	NA
+PJ033023	GSDDDDR 	C27H42N10O17	778.273	NA	PeJP	NA	NA
+PJ033024	GPCCDER 	C28H46N10O12S2	778.2738	NA	PeJP	NA	NA
+PJ033025	GGGGSPCNM 	C28H46N10O12S2	778.2739	NA	PeJP	NA	NA
+PJ033026	SNDEEW 	C32H42N8O15	778.277	NA	PeJP	NA	NA
+PJ033027	PCNEMW 	C33H46N8O10S2	778.2779	NA	PeJP	NA	NA
+PJ033028	NQEEEM 	C29H46N8O15S	778.2804	NA	PeJP	NA	NA
+PJ033029	GDDFYY 	C37H42N6O13	778.281	NA	PeJP	NA	NA
+PJ033030	TEMMMH 	C30H50N8O10S3	778.2812	NA	PeJP	NA	NA
+PJ033031	GPCNDHH 	C30H42N12O11S	778.2817	NA	PeJP	NA	NA
+PJ033032	PCCFFY 	C38H46N6O8S2	778.2819	NA	PeJP	NA	NA
+PJ033033	SSEMYY 	C34H46N6O13S	778.2844	NA	PeJP	NA	NA
+PJ033034	SSSCCHR 	C27H46N12O11S2	778.2851	NA	PeJP	NA	NA
+PJ033035	GMMMFY 	C35H50N6O8S3	778.2853	NA	PeJP	NA	NA
+PJ033036	GCNNWW 	C35H42N10O9S	778.2857	NA	PeJP	NA	NA
+PJ033037	GSSNNDW 	C31H42N10O14	778.2882	NA	PeJP	NA	NA
+PJ033038	PCCDRW 	C32H46N10O9S2	778.2891	NA	PeJP	NA	NA
+PJ033039	NDDEMR 	C28H46N10O14S	778.2916	NA	PeJP	NA	NA
+PJ033040	GSDEWW 	C36H42N8O12	778.2923	NA	PeJP	NA	NA
+PJ033041	PPTCCCR 	C29H50N10O9S3	778.2925	NA	PeJP	NA	NA
+PJ033042	GPCMWW 	C37H46N8O7S2	778.2931	NA	PeJP	NA	NA
+PJ033043	GQEEMW 	C33H46N8O12S	778.2956	NA	PeJP	NA	NA
+PJ033044	GSTQEEE 	C29H46N8O17	778.2981	NA	PeJP	NA	NA
+PJ033045	GSPQEMM 	C30H50N8O12S2	778.299	NA	PeJP	NA	NA
+PJ033046	NNEEHH 	C30H42N12O13	778.2995	NA	PeJP	NA	NA
+PJ033047	APCYYY 	C38H46N6O10S	778.2996	NA	PeJP	NA	NA
+PJ033048	VMMMMH 	C31H54N8O7S4	778.2999	NA	PeJP	NA	NA
+PJ033049	CCNHFR 	C31H46N12O8S2	778.3003	NA	PeJP	NA	NA
+PJ033050	PEEEEF 	C34H46N6O15	778.3022	NA	PeJP	NA	NA
+PJ033051	CDDDRR 	C27H46N12O13S	778.3028	NA	PeJP	NA	NA
+PJ033052	GGGGGTCDR 	C27H46N12O13S	778.3029	NA	PeJP	NA	NA
+PJ033053	ATMMYY 	C35H50N6O10S2	778.303	NA	PeJP	NA	NA
+MJ094082	Azadirachtin; O1-Detigloyl, O1-(4-methylpentanoyl), O3-de-Ac, O3-(2,3-epoxy-2-methylpropanoyl) 	C38H50O17	778.3048	NA	MeJP	NA	NA
+PJ033054	LEEEEM 	C31H50N6O15S	778.3055	NA	PeJP	NA	NA
+PJ033055	SNNQMW 	C32H46N10O11S	778.3068	NA	PeJP	NA	NA
+PJ033056	GDDMRW 	C32H46N10O11S	778.3069	NA	PeJP	NA	NA
+PJ033057	SDWWW 	C40H42N8O9	778.3075	NA	PeJP	NA	NA
+PJ033058	SSSSSSTH 	C28H46N10O16	778.3093	NA	PeJP	NA	NA
+PJ033059	GSSDEER 	C28H46N10O16	778.3094	NA	PeJP	NA	NA
+PJ033060	GSPCEMR 	C29H50N10O11S2	778.3102	NA	PeJP	NA	NA
+PJ033061	GGGGGGGVMM 	C29H50N10O11S2	778.3103	NA	PeJP	NA	NA
+PJ033062	GSNNNHH 	C29H42N14O12	778.3107	NA	PeJP	NA	NA
+PJ033063	QEMWW 	C37H46N8O9S	778.3109	NA	PeJP	NA	NA
+PJ033064	STQEEW 	C33H46N8O14	778.3134	NA	PeJP	NA	NA
+PJ033065	SPQMMW 	C34H50N8O9S2	778.3142	NA	PeJP	NA	NA
+PJ033066	PCDKMW 	C34H50N8O9S2	778.3143	NA	PeJP	NA	NA
+PJ033067	GNEHHW 	C34H42N12O10	778.3147	NA	PeJP	NA	NA
+PJ033068	SSPTQEM 	C30H50N8O14S	778.3167	NA	PeJP	NA	NA
+PJ033069	NKEEEM 	C30H50N8O14S	778.3168	NA	PeJP	NA	NA
+PJ033070	AAEYYY 	C38H46N6O12	778.3174	NA	PeJP	NA	NA
+PJ033071	AAPQMMM 	C31H54N8O9S3	778.3176	NA	PeJP	NA	NA
+PJ033072	SCNNRW 	C31H46N12O10S	778.3181	NA	PeJP	NA	NA
+PJ033073	GMMFFF 	C39H50N6O7S2	778.3183	NA	PeJP	NA	NA
+PJ033074	SSSNNDR 	C27H46N12O15	778.3206	NA	PeJP	NA	NA
+PJ033075	TTTMYY 	C35H50N6O12S	778.3208	NA	PeJP	NA	NA
+MJ094083	Polyervinine 	C43H46N4O10	778.321393	NA	MeJP	NA	NA
+PJ033076	NNNMMR 	C28H50N12O10S2	778.3215	NA	PeJP	NA	NA
+PJ033077	CERWW 	C36H46N10O8S	778.3221	NA	PeJP	NA	NA
+PJ033078	SSDERW 	C32H46N10O13	778.3246	NA	PeJP	NA	NA
+PJ033079	SPCMRW 	C33H50N10O8S2	778.3255	NA	PeJP	NA	NA
+PJ033080	PDHHHH 	C33H42N14O9	778.326	NA	PeJP	NA	NA
+PJ033081	AMWWW 	C41H46N8O6S	778.3261	NA	PeJP	NA	NA
+PJ033082	SQEEMR 	C29H50N10O13S	778.328	NA	PeJP	NA	NA
+PJ033083	GTTEWW 	C37H46N8O11	778.3286	NA	PeJP	NA	NA
+PJ033084	PNMMMR 	C30H54N10O8S3	778.3289	NA	PeJP	NA	NA
+PJ033085	NHHWW 	C38H42N12O7	778.33	NA	PeJP	NA	NA
+PJ033086	GKEEMW 	C34H50N8O11S	778.332	NA	PeJP	NA	NA
+PJ033087	TFYYW 	C42H46N6O9	778.3326	NA	PeJP	NA	NA
+PJ033088	CCNQRR 	C27H50N14O9S2	778.3327	NA	PeJP	NA	NA
+PJ033089	AMHHHF 	C35H46N12O7S	778.3334	NA	PeJP	NA	NA
+PJ033090	GSTKEEE 	C30H50N8O16	778.3345	NA	PeJP	NA	NA
+PJ033091	GSPKEMM 	C31H54N8O11S2	778.3354	NA	PeJP	NA	NA
+PJ033092	NNNDFR 	C31H46N12O12	778.3358	NA	PeJP	NA	NA
+PJ033093	GGGGNDFR 	C31H46N12O12	778.3359	NA	PeJP	NA	NA
+PJ033094	GVMFYY 	C39H50N6O9S	778.336	NA	PeJP	NA	NA
+PJ033095	PLEEEY 	C35H50N6O14	778.3385	NA	PeJP	NA	NA
+PJ033096	SDDMRR 	C28H50N12O12S	778.3392	NA	PeJP	NA	NA
+PJ033097	GNQQFW 	C36H46N10O10	778.3399	NA	PeJP	NA	NA
+MJ094084	Hispidin A; 15-Deacyl, 15-propanoyl 	C39H54O16	778.341185	NA	MeJP	NA	NA
+MJ094085	Trichilia substance Tr C; 7-Et ester analogue 	C39H54O16	778.341185	NA	MeJP	NA	NA
+PJ033098	GTEMRW 	C33H50N10O10S	778.3432	NA	PeJP	NA	NA
+PJ033099	GGGGSKMW 	C33H50N10O10S	778.3433	NA	PeJP	NA	NA
+PJ033100	TTWWW 	C41H46N8O8	778.3439	NA	PeJP	NA	NA
+PJ033101	GSTTEER 	C29H50N10O15	778.3457	NA	PeJP	NA	NA
+PJ033102	GGGGSTTDK 	C29H50N10O15	778.3458	NA	PeJP	NA	NA
+C16564	Bis(glutathionyl)spermine disulfide	C30H54N10O10S2	778.3466	NA	KEGG	NA	NA
+PJ033103	VNEMMR 	C30H54N10O10S2	778.3466	NA	PeJP	NA	NA
+PJ033104	SNEHHR 	C30H46N14O11	778.3471	NA	PeJP	NA	NA
+PJ033105	MFRYY 	C38H50N8O8S	778.3472	NA	PeJP	NA	NA
+PJ033106	KEMWW 	C38H50N8O8S	778.3473	NA	PeJP	NA	NA
+PJ033107	SSPTTTW 	C34H50N8O13	778.3497	NA	PeJP	NA	NA
+PJ033108	STKEEW 	C34H50N8O13	778.3498	NA	PeJP	NA	NA
+PJ033109	GSSCNRR 	C27H50N14O11S	778.3505	NA	PeJP	NA	NA
+PJ033110	SPKMMW 	C35H54N8O8S2	778.3506	NA	PeJP	NA	NA
+PJ033111	GDKHHW 	C35H46N12O9	778.3511	NA	PeJP	NA	NA
+PJ033112	DKKEEM 	C31H54N8O13S	778.3531	NA	PeJP	NA	NA
+PJ033113	GTLYYY 	C39H50N6O11	778.3538	NA	PeJP	NA	NA
+PJ033114	AAPKMMM 	C32H58N8O8S3	778.354	NA	PeJP	NA	NA
+PJ033115	VQQMHH 	C32H50N12O9S	778.3545	NA	PeJP	NA	NA
+PJ033116	GPPHWW 	C40H46N10O7	778.3551	NA	PeJP	NA	NA
+PJ033117	SSSSQQR 	C28H50N12O14	778.357	NA	PeJP	NA	NA
+MJ094086	Conophylline; 14',15'-Deepoxy, 14',15'-didehydro 	C44H50N4O9	778.357779	NA	MeJP	NA	NA
+PJ033118	CNQKMR 	C29H54N12O9S2	778.3578	NA	PeJP	NA	NA
+PJ033119	GEMMRR 	C29H54N12O9S2	778.3579	NA	PeJP	NA	NA
+PJ033120	TMRWW 	C37H50N10O7S	778.3585	NA	PeJP	NA	NA
+PJ033121	STTERW 	C33H50N10O12	778.361	NA	PeJP	NA	NA
+PJ033122	GVMMRW 	C34H54N10O7S2	778.3619	NA	PeJP	NA	NA
+PJ033123	GSHHRW 	C34H46N14O8	778.3623	NA	PeJP	NA	NA
+PJ033124	SKEEMR 	C30H54N10O12S	778.3644	NA	PeJP	NA	NA
+PJ033125	SSTLWW 	C38H50N8O10	778.365	NA	PeJP	NA	NA
+PJ033126	AQMHHR 	C31H50N14O8S	778.3657	NA	PeJP	NA	NA
+MJ094087	Disorazole B1; 9,10,9',10'-Tetrol 	C42H54N2O12	778.367675	NA	MeJP	NA	NA
+PJ033127	SVKEMW 	C35H54N8O10S	778.3684	NA	PeJP	NA	NA
+PJ033128	GVFFFY 	C43H50N6O8	778.369	NA	PeJP	NA	NA
+PJ033129	CCNKRR 	C28H54N14O8S2	778.3691	NA	PeJP	NA	NA
+PJ033130	SSSLKEE 	C31H54N8O15	778.3709	NA	PeJP	NA	NA
+PJ033131	LQKEMM 	C32H58N8O10S2	778.3718	NA	PeJP	NA	NA
+PJ033132	GQQQRY 	C32H50N12O11	778.3722	NA	PeJP	NA	NA
+PJ033133	GGGGGGVRY 	C32H50N12O11	778.3723	NA	PeJP	NA	NA
+PJ033134	MMRRW 	C33H54N12O6S2	778.3731	NA	PeJP	NA	NA
+PJ033135	LLEEEF 	C36H54N6O13	778.3749	NA	PeJP	NA	NA
+PJ033136	STEMRR 	C29H54N12O11S	778.3756	NA	PeJP	NA	NA
+PJ033137	SSPFRW 	C37H50N10O9	778.3762	NA	PeJP	NA	NA
+PJ033138	GPTRYW 	C37H50N10O9	778.3763	NA	PeJP	NA	NA
+PJ033139	ACHHRR 	C30H50N16O7S	778.377	NA	PeJP	NA	NA
+MJ094088	3,12-Dihydroxy-20,22-bufadienolide, 3-O-[?-D-Glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 12-Ac 	C40H58O15	778.377571	NA	MeJP	NA	NA
+MJ094089	Stauntogenin; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C40H58O15	778.377571	NA	MeJP	NA	NA
+PJ033140	SSLMRW 	C34H54N10O9S	778.3796	NA	PeJP	NA	NA
+PJ033141	PKYWW 	C42H50N8O7	778.3803	NA	PeJP	NA	NA
+PJ033142	SSSTLER 	C30H54N10O14	778.3821	NA	PeJP	NA	NA
+PJ033143	VDKMMR 	C31H58N10O9S2	778.383	NA	PeJP	NA	NA
+PJ033144	GNNRRY 	C31H50N14O10	778.3835	NA	PeJP	NA	NA
+PJ033145	APKMFW 	C39H54N8O7S	778.3837	NA	PeJP	NA	NA
+PJ033146	SSSSLLW 	C35H54N8O12	778.3861	NA	PeJP	NA	NA
+PJ033147	GGGALLEY 	C35H54N8O12	778.3862	NA	PeJP	NA	NA
+PJ033148	ALKMMW 	C36H58N8O7S2	778.387	NA	PeJP	NA	NA
+PJ033149	DFRRW 	C36H50N12O8	778.3875	NA	PeJP	NA	NA
+7675	ACE inhibitor from b-CN (46-59), mouse	KVHSSIQSQPQAFT	778.389	MH2+	Inhouse_peptide	NA	peptide
+PJ033150	GTTLKEM 	C32H58N8O12S	778.3895	NA	PeJP	NA	NA
+PJ033151	GPMRRY 	C33H54N12O8S	778.3909	NA	PeJP	NA	NA
+MJ094090	Clibadiolide 	C44H58O12	778.392827	NA	MeJP	NA	NA
+PJ033152	SSSSQKR 	C29H54N12O13	778.3933	NA	PeJP	NA	NA
+PJ033153	GGSSSTKR 	C29H54N12O13	778.3934	NA	PeJP	NA	NA
+MJ094091	Vinorelbine 	C45H54N4O8	778.394164	NA	MeJP	NA	NA
+PJ033154	SVMMRR 	C30H58N12O8S2	778.3942	NA	PeJP	NA	NA
+PJ033155	SSHHRR 	C30H50N16O9	778.3947	NA	PeJP	NA	NA
+PJ033156	GSSSKKW 	C34H54N10O11	778.3974	NA	PeJP	NA	NA
+PJ033157	VLHHHH 	C35H50N14O7	778.3987	NA	PeJP	NA	NA
+PJ033158	GTTTLMR 	C31H58N10O11S	778.4007	NA	PeJP	NA	NA
+PJ033159	VVTTTCR 	C31H58N10O11S	778.4008	NA	PeJP	NA	NA
+PJ033160	SPVKYW 	C39H54N8O9	778.4014	NA	PeJP	NA	NA
+PJ033161	AKMHHR 	C32H54N14O7S	778.4021	NA	PeJP	NA	NA
+PJ033162	TTLKMW 	C36H58N8O9S	778.4048	NA	PeJP	NA	NA
+PJ033163	STTTLKE 	C32H58N8O14	778.4073	NA	PeJP	NA	NA
+PJ033164	ASVLKMM 	C33H62N8O9S2	778.4081	NA	PeJP	NA	NA
+PJ033165	LKKEMM 	C33H62N8O9S2	778.4082	NA	PeJP	NA	NA
+PJ033166	GVERRY 	C33H54N12O10	778.4086	NA	PeJP	NA	NA
+PJ033167	LLLEEY 	C37H58N6O12	778.4113	NA	PeJP	NA	NA
+PJ033168	GSTCKKR 	C30H58N12O10S	778.412	NA	PeJP	NA	NA
+PJ033169	AALRYW 	C38H54N10O8	778.4126	NA	PeJP	NA	NA
+PJ033170	GGGKKFW 	C38H54N10O8	778.4127	NA	PeJP	NA	NA
+MJ094092	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H62O14	778.413956	NA	MeJP	NA	NA
+MJ094093	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H62O14	778.413956	NA	MeJP	NA	NA
+MJ094094	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H62O14	778.413956	NA	MeJP	NA	NA
+MJ094095	Glaucogenin C; 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C41H62O14	778.413956	NA	MeJP	NA	NA
+MJ094096	Glaucogenin C; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C41H62O14	778.413956	NA	MeJP	NA	NA
+MJ094097	Glaucogenin C; 3-O-[?-L-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C41H62O14	778.413956	NA	MeJP	NA	NA
+MJ094098	Pfaffic acid; 3-O-?-Glucuronopyranoside, 28-?-D-glucopyranosyl ester 	C41H62O14	778.413956	NA	MeJP	NA	NA
+PJ033171	SCKKKW 	C35H58N10O8S	778.416	NA	PeJP	NA	NA
+PJ033172	LKFWW 	C43H54N8O6	778.4167	NA	PeJP	NA	NA
+PJ033173	STTTTLR 	C31H58N10O13	778.4185	NA	PeJP	NA	NA
+PJ033174	TLKMMR 	C32H62N10O8S2	778.4194	NA	PeJP	NA	NA
+PJ033175	ERRRY 	C32H54N14O9	778.4199	NA	PeJP	NA	NA
+PJ033176	VLQKEY 	C36H58N8O11	778.4225	NA	PeJP	NA	NA
+PJ033177	GGPPPLLE 	C36H58N8O11	778.4226	NA	PeJP	NA	NA
+PJ033178	VRRYW 	C37H54N12O7	778.4239	NA	PeJP	NA	NA
+PJ033179	SSTLLKM 	C33H62N8O11S	778.4259	NA	PeJP	NA	NA
+PJ033180	GLMFRR 	C34H58N12O7S	778.4273	NA	PeJP	NA	NA
+PJ033181	SSSSKKR 	C30H58N12O12	778.4297	NA	PeJP	NA	NA
+PJ033182	ALKERY 	C35H58N10O10	778.4338	NA	PeJP	NA	NA
+PJ033183	GSTKKKM 	C32H62N10O10S	778.4371	NA	PeJP	NA	NA
+MJ094099	Heterophyllin B 	C40H58N8O8	778.43776	NA	MeJP	NA	NA
+PJ033184	GLLKYW 	C40H58N8O8	778.4378	NA	PeJP	NA	NA
+MJ094100	Factumycin 	C44H62N2O10	778.440446	NA	MeJP	NA	NA
+PJ033185	PLKKMY 	C37H62N8O8S	778.4412	NA	PeJP	NA	NA
+PJ033186	ATLRRY 	C34H58N12O9	778.445	NA	PeJP	NA	NA
+PJ033187	PVLKHW 	C39H58N10O7	778.449	NA	PeJP	NA	NA
+MJ094101	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094102	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094103	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-L-Rhamnopyranoside, 29-O-?-D-xylopyranosyl ester, 28-Me ester 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094104	Frondogenin; 3-O-[?-D-Xylopyranosyl-(1?4)-xylopyranoside] 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094105	Gouanogenin A; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094106	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside], 6'-Me ester 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094107	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside] 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094108	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O13	778.450342	NA	MeJP	NA	NA
+MJ094109	Pouoside C; 8-Acetoxy 	C42H66O13	778.450342	NA	MeJP	NA	NA
+PJ033188	VVKMFR 	C36H62N10O7S	778.4524	NA	PeJP	NA	NA
+PJ033189	SSTTKKK 	C32H62N10O12	778.4549	NA	PeJP	NA	NA
+PJ033190	PTLHRR 	C33H58N14O8	778.4562	NA	PeJP	NA	NA
+PJ033191	GGPKKHR 	C33H58N14O8	778.4563	NA	PeJP	NA	NA
+PJ033192	VLKKEY 	C37H62N8O10	778.4589	NA	PeJP	NA	NA
+PJ033193	VNKKKY 	C36H62N10O9	778.4701	NA	PeJP	NA	NA
+PJ033194	SLLKRY 	C36H62N10O9	778.4702	NA	PeJP	NA	NA
+PJ033195	PLKKFF 	C41H62N8O7	778.4742	NA	PeJP	NA	NA
+PJ033196	LLKKMF 	C38H66N8O7S	778.4775	NA	PeJP	NA	NA
+PJ033197	GKKKRY 	C35H62N12O8	778.4814	NA	PeJP	NA	NA
+MJ094110	Macrotetrolide G 	C43H70O12	778.486727	NA	MeJP	NA	NA
+MJ094111	Trinactin 	C43H70O12	778.486727	NA	MeJP	NA	NA
+PJ033198	VVLHRR 	C34H62N14O7	778.4926	NA	PeJP	NA	NA
+PJ033199	PPVLLLQ 	C38H66N8O9	778.4953	NA	PeJP	NA	NA
+PJ033200	APPLLLR 	C37H66N10O8	778.5065	NA	PeJP	NA	NA
+PJ033201	VVVVVKH 	C37H66N10O8	778.5066	NA	PeJP	NA	NA
+PJ033202	LLLKHR 	C36H66N12O7	778.5178	NA	PeJP	NA	NA
+MJ094112	Narasin D 	C44H74O11	778.523113	NA	MeJP	NA	NA
+MJ094113	Oligomycin SC II 	C44H74O11	778.523113	NA	MeJP	NA	NA
+PJ033203	PPVLLLK 	C39H70N8O8	778.5317	NA	PeJP	NA	NA
+MetaCyc04132	1-18:3-2-18:3-sn-glycerol-phosphocholine []	C44H77N1O8P1	778.53868	NA	metacyc	NA	NA
+MJ094114	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z-octadecadienoate), 3-O-?-D-Galactopyranoside 	C45H78O10	778.559498	NA	MeJP	NA	NA
+HMDB10602	PG(18:0/18:0)	C42H83O10P	778.572388	NA	HMDB2010	NA	NA
+EUR1095	SM(d18:1/20:1) [M+Na]+	C43H85N2O6P	778.596472	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1095	SM(d18:1/20:1) [M+Na]+	C43H85N2O6P	778.596472	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1095	SM(d18:1/20:1) [M+Na]+	C43H85N2O6P	778.596472	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1095	SM(d18:1/20:1) [M+Na]+	C43H85N2O6P	778.596472	masses lipides attendues	Inhousejuil11	NA	NA
+MetaCyc04133	decaprenol phosphate []	C50H83O4P1	778.602898	NA	metacyc	NA	NA
+C02970	Decaprenol phosphate	C50H83O4P	778.6029	NA	KEGG	NA	NA
+C02972	Dihydrolipoylprotein	C8H16NOS2R	778.6029	NA	KEGG	NA	NA
+EUR1047	SM(d18:0/18:0) [M+FA-H]-	C41H85N2O6P	778.619406	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1047	SM(d18:0/18:0) [M+FA-H]-	C41H85N2O6P	778.619406	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1047	SM(d18:0/18:0) [M+FA-H]-	C41H85N2O6P	778.619406	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1047	SM(d18:0/18:0) [M+FA-H]-	C41H85N2O6P	778.619406	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094115	20(29)-Lupen-3-ol, 3-Acetoxyeicosanoyl 	C52H90O4	778.683911	NA	MeJP	NA	NA
+C13869	1-Dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol	C49H94O6	778.705	NA	KEGG	NA	NA
+HMDB10411	TG(16:0/14:0/16:0)[iso3]	C49H94O6	778.705017	NA	HMDB2010	NA	NA
+3188	cystatin S (61-73)	VNYFFDVEVGRTI	778.8839	MH2+	Inhouse_peptide	NA	peptide
+PJ033204	CCCCCDM 	C24H41N7O10S6	779.124	NA	PeJP	NA	NA
+PJ033205	SCCCCMM 	C25H45N7O9S6	779.1603	NA	PeJP	NA	NA
+PJ033206	GCCCCEY 	C28H41N7O11S4	779.1747	NA	PeJP	NA	NA
+PJ033207	PCCCCDH 	C27H41N9O10S4	779.186	NA	PeJP	NA	NA
+PJ033208	CCCCYW 	C32H41N7O8S4	779.19	NA	PeJP	NA	NA
+PJ033209	SSCCCDY 	C28H41N7O13S3	779.1925	NA	PeJP	NA	NA
+PJ033210	ACCCCMF 	C29H45N7O8S5	779.1933	NA	PeJP	NA	NA
+PJ033211	VCCCCCF 	C29H45N7O8S5	779.1934	NA	PeJP	NA	NA
+MJ094116	Rubradirin B; 3''-Deoxy 	C40H33N3O14	779.196252	NA	MeJP	NA	NA
+PJ033212	GCCDDMH 	C27H41N9O12S3	779.2037	NA	PeJP	NA	NA
+PJ033213	GDDDDDE 	C27H37N7O20	779.2094	NA	PeJP	NA	NA
+PJ033214	GTCCCMY 	C29H45N7O10S4	779.2111	NA	PeJP	NA	NA
+PJ033215	SCCCNNH 	C26H41N11O11S3	779.2149	NA	PeJP	NA	NA
+PJ033216	GGSCCCNH 	C26H41N11O11S3	779.215	NA	PeJP	NA	NA
+PJ033217	CCCEHW 	C31H41N9O9S3	779.219	NA	PeJP	NA	NA
+PJ033218	SSCCDEH 	C27H41N9O14S2	779.2215	NA	PeJP	NA	NA
+PJ033219	SPCCCMH 	C28H45N9O9S4	779.2223	NA	PeJP	NA	NA
+PJ033220	DDDDDW 	C31H37N7O17	779.2246	NA	PeJP	NA	NA
+PJ033221	CCNDYY 	C32H41N7O12S2	779.2255	NA	PeJP	NA	NA
+PJ033222	SPCDDDE 	C28H41N7O17S	779.228	NA	PeJP	NA	NA
+PJ033223	SSSCCMY 	C29H45N7O12S3	779.2289	NA	PeJP	NA	NA
+PJ033224	GNNDDDM 	C27H41N9O16S	779.2392	NA	PeJP	NA	NA
+PJ033225	GGGGGDDDM 	C27H41N9O16S	779.2393	NA	PeJP	NA	NA
+PJ033226	GSCDMMH 	C28H45N9O11S3	779.2401	NA	PeJP	NA	NA
+PJ033227	CCNMFY 	C33H45N7O9S3	779.2441	NA	PeJP	NA	NA
+PJ033228	GSDDEEE 	C28H41N7O19	779.2458	NA	PeJP	NA	NA
+PJ033229	GPDDDMM 	C29H45N7O14S2	779.2466	NA	PeJP	NA	NA
+PJ033230	SCNNNND 	C26H41N11O15S	779.2505	NA	PeJP	NA	NA
+PJ033231	CNNDEW 	C31H41N9O13S	779.2545	NA	PeJP	NA	NA
+PJ033232	TCCMHW 	C32H45N9O8S3	779.2554	NA	PeJP	NA	NA
+PJ033233	SSNNDDE 	C27H41N9O18	779.257	NA	PeJP	NA	NA
+PJ033234	STTCCEH 	C28H45N9O13S2	779.2578	NA	PeJP	NA	NA
+PJ033235	SSSCEMH 	C28H45N9O13S2	779.2579	NA	PeJP	NA	NA
+PJ033236	CQMMMH 	C29H49N9O8S4	779.2587	NA	PeJP	NA	NA
+PJ033237	GSCCHHH 	C29H41N13O9S2	779.2592	NA	PeJP	NA	NA
+PJ033238	SDDEEW 	C32H41N7O16	779.261	NA	PeJP	NA	NA
+PJ033239	PCDEMW 	C33H45N7O11S2	779.2619	NA	PeJP	NA	NA
+MJ094117	Perdeacylwilfortrine; 1,6,8,9,14-Penta-Ac 	C36H45NO18	779.263663	NA	MeJP	NA	NA
+PJ033240	NEEEEM 	C29H45N7O16S	779.2644	NA	PeJP	NA	NA
+PJ033241	SPPCDMM 	C30H49N7O11S3	779.2652	NA	PeJP	NA	NA
+PJ033242	PPTCCEM 	C30H49N7O11S3	779.2653	NA	PeJP	NA	NA
+PJ033243	GPCDDHH 	C30H41N11O12S	779.2657	NA	PeJP	NA	NA
+PJ033244	GCNNNQM 	C27H45N11O12S2	779.2691	NA	PeJP	NA	NA
+HMDB06606	3-Sialyl-3-fucosyllactose	C29H49NO23	779.26953	http://www.hmdb.ca/metabolites/HMDB06606	HMDB	NA	NA
+HMDB06606	3-Sialyl-3-fucosyllactose	C29H49NO23	779.26953	HMDB06606	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06606	3'-Sialyl-3-fucosyllactose	C29H49NO23	779.269531	NA	HMDB2010	NA	NA
+PJ033245	GCNDWW 	C35H41N9O10S	779.2697	NA	PeJP	NA	NA
+PJ033246	CCMMHR 	C28H49N11O7S4	779.27	NA	PeJP	NA	NA
+PJ033247	GSSNDDW 	C31H41N9O15	779.2722	NA	PeJP	NA	NA
+PJ033248	GGGSSDDW 	C31H41N9O15	779.2723	NA	PeJP	NA	NA
+PJ033249	GSPCCQW 	C32H45N9O10S2	779.2731	NA	PeJP	NA	NA
+PJ033250	DDDEMR 	C28H45N9O15S	779.2756	NA	PeJP	NA	NA
+PJ033251	GSSMMMH 	C29H49N9O10S3	779.2765	NA	PeJP	NA	NA
+PJ033252	CCNFFF 	C37H45N7O8S2	779.2771	NA	PeJP	NA	NA
+PJ033253	GEEEMW 	C33H45N7O13S	779.2796	NA	PeJP	NA	NA
+PJ033254	GCCNNNR 	C26H45N13O11S2	779.2803	NA	PeJP	NA	NA
+PJ033255	GGGGGGGCCR 	C26H45N13O11S2	779.2804	NA	PeJP	NA	NA
+PJ033256	GSTEEEE 	C29H45N7O18	779.2821	NA	PeJP	NA	NA
+PJ033257	GSPEEMM 	C30H49N7O13S2	779.283	NA	PeJP	NA	NA
+PJ033258	NDEEHH 	C30H41N11O14	779.2835	NA	PeJP	NA	NA
+PJ033259	APPCMMM 	C31H53N7O8S4	779.2839	NA	PeJP	NA	NA
+PJ033260	CCDHFR 	C31H45N11O9S2	779.2843	NA	PeJP	NA	NA
+PJ033261	ASCNDDR 	C27H45N11O14S	779.2868	NA	PeJP	NA	NA
+PJ033262	GSCNDER 	C27H45N11O14S	779.2869	NA	PeJP	NA	NA
+PJ033263	GPCCNMR 	C28H49N11O9S3	779.2877	NA	PeJP	NA	NA
+PJ033264	GCMHFW 	C36H45N9O7S2	779.2884	NA	PeJP	NA	NA
+PJ033265	SNNEMW 	C32H45N9O12S	779.2909	NA	PeJP	NA	NA
+PJ033266	SSSNQEE 	C28H45N9O17	779.2934	NA	PeJP	NA	NA
+PJ033267	SSSTMMH 	C29H49N9O12S2	779.2942	NA	PeJP	NA	NA
+PJ033268	GGGAQEMM 	C29H49N9O12S2	779.2943	NA	PeJP	NA	NA
+PJ033269	GSNNDHH 	C29H41N13O13	779.2947	NA	PeJP	NA	NA
+PJ033270	EEMWW 	C37H45N7O10S	779.2949	NA	PeJP	NA	NA
+PJ033271	CKMMMH 	C30H53N9O7S4	779.2951	NA	PeJP	NA	NA
+PJ033272	STEEEW 	C33H45N7O15	779.2974	NA	PeJP	NA	NA
+PJ033273	SPEMMW 	C34H49N7O10S2	779.2983	NA	PeJP	NA	NA
+PJ033274	GDEHHW 	C34H41N11O11	779.2987	NA	PeJP	NA	NA
+PJ033275	DKEEEM 	C30H49N7O15S	779.3008	NA	PeJP	NA	NA
+PJ033276	AAPEMMM 	C31H53N7O10S3	779.3016	NA	PeJP	NA	NA
+PJ033277	SCNDRW 	C31H45N11O11S	779.3021	NA	PeJP	NA	NA
+PJ033278	SSSNDDR 	C27H45N11O16	779.3046	NA	PeJP	NA	NA
+PJ033279	NNDMMR 	C28H49N11O11S2	779.3055	NA	PeJP	NA	NA
+MJ094118	Zelkovamycin 	C36H45N9O9S	779.306094	NA	MeJP	NA	NA
+PJ033280	GSNMWW 	C36H45N9O9S	779.3061	NA	PeJP	NA	NA
+PJ033281	GSSSQEW 	C32H45N9O14	779.3086	NA	PeJP	NA	NA
+PJ033282	GGGGGAEEF 	C32H45N9O14	779.3087	NA	PeJP	NA	NA
+PJ033283	GQQMMW 	C33H49N9O9S2	779.3095	NA	PeJP	NA	NA
+PJ033284	SEEEMR 	C29H49N9O14S	779.312	NA	PeJP	NA	NA
+PJ033285	GSQYYY 	C37H45N7O12	779.3126	NA	PeJP	NA	NA
+PJ033286	GPEEYW 	C37H45N7O12	779.3127	NA	PeJP	NA	NA
+PJ033287	PDMMMR 	C30H53N9O9S3	779.3129	NA	PeJP	NA	NA
+PJ033288	NNQMHH 	C30H45N13O10S	779.3133	NA	PeJP	NA	NA
+PJ033289	GGGGQMHH 	C30H45N13O10S	779.3134	NA	PeJP	NA	NA
+PJ033290	PPCMFW 	C38H49N7O7S2	779.3135	NA	PeJP	NA	NA
+PJ033291	DHHWW 	C38H41N11O8	779.314	NA	PeJP	NA	NA
+MJ094119	6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 9-(3-Pyridinecarbonyl), 3-benzoyl, 2,5,7,14-tetra-Ac 	C41H49NO14	779.315305	NA	MeJP	NA	NA
+PJ033292	SVEEMW 	C34H49N7O12S	779.316	NA	PeJP	NA	NA
+PJ033293	CCNERR 	C27H49N13O10S2	779.3167	NA	PeJP	NA	NA
+PJ033294	PCLMMW 	C35H53N7O7S3	779.3169	NA	PeJP	NA	NA
+PJ033295	PTCHHW 	C35H45N11O8S	779.3174	NA	PeJP	NA	NA
+PJ033296	SSSLEEE 	C30H49N7O17	779.3185	NA	PeJP	NA	NA
+PJ033297	LQEEMM 	C31H53N7O12S2	779.3194	NA	PeJP	NA	NA
+PJ033298	NNNQQY 	C31H45N11O13	779.3198	NA	PeJP	NA	NA
+PJ033299	GGNNQQY 	C31H45N11O13	779.3199	NA	PeJP	NA	NA
+PJ033300	GCQMRW 	C32H49N11O8S2	779.3207	NA	PeJP	NA	NA
+PJ033301	GSSNEMR 	C28H49N11O13S	779.3232	NA	PeJP	NA	NA
+PJ033302	GGGGGGSTCK 	C28H49N11O13S	779.3233	NA	PeJP	NA	NA
+PJ033303	SSSQWW 	C36H45N9O11	779.3239	NA	PeJP	NA	NA
+PJ033304	APCCCKR 	C29H53N11O8S3	779.3241	NA	PeJP	NA	NA
+PJ033305	CNNHHR 	C29H45N15O9S	779.3246	NA	PeJP	NA	NA
+PJ033306	SNDKMW 	C33H49N9O11S	779.3272	NA	PeJP	NA	NA
+PJ033307	GGSDKMW 	C33H49N9O11S	779.3273	NA	PeJP	NA	NA
+PJ033308	PEYWW 	C41H45N7O9	779.3279	NA	PeJP	NA	NA
+PJ033309	SSSNKEE 	C29H49N9O16	779.3297	NA	PeJP	NA	NA
+PJ033310	GGSSSKEE 	C29H49N9O16	779.3298	NA	PeJP	NA	NA
+PJ033311	VDEMMR 	C30H53N9O11S2	779.3306	NA	PeJP	NA	NA
+PJ033312	SDEHHR 	C30H45N13O12	779.3311	NA	PeJP	NA	NA
+PJ033313	SPPMYW 	C38H49N7O9S	779.3313	NA	PeJP	NA	NA
+PJ033314	GCCRRW 	C31H49N13O7S2	779.332	NA	PeJP	NA	NA
+PJ033315	PDKEEY 	C34H49N7O14	779.3338	NA	PeJP	NA	NA
+PJ033316	GSSCDRR 	C27H49N13O12S	779.3345	NA	PeJP	NA	NA
+PJ033317	AAPPMMY 	C35H53N7O9S2	779.3346	NA	PeJP	NA	NA
+PJ033318	ALEMMW 	C35H53N7O9S2	779.3347	NA	PeJP	NA	NA
+PJ033319	ATEHHW 	C35H45N11O10	779.3351	NA	PeJP	NA	NA
+PJ033320	GTTLEEM 	C31H53N7O14S	779.3371	NA	PeJP	NA	NA
+PJ033321	VVTTDDM 	C31H53N7O14S	779.3372	NA	PeJP	NA	NA
+PJ033322	GPTLMMM 	C32H57N7O9S3	779.338	NA	PeJP	NA	NA
+PJ033323	SSNMRW 	C32H49N11O10S	779.3385	NA	PeJP	NA	NA
+PJ033324	NQFWW 	C40H45N9O8	779.3391	NA	PeJP	NA	NA
+PJ033325	GGGAFWW 	C40H45N9O8	779.3392	NA	PeJP	NA	NA
+PJ033326	SSSSQER 	C28H49N11O15	779.341	NA	PeJP	NA	NA
+PJ033327	SQQMMR 	C29H53N11O10S2	779.3418	NA	PeJP	NA	NA
+PJ033328	TNQMMR 	C29H53N11O10S2	779.3419	NA	PeJP	NA	NA
+PJ033329	GTCKWW 	C37H49N9O8S	779.3425	NA	PeJP	NA	NA
+PJ033330	GSSSKEW 	C33H49N9O13	779.345	NA	PeJP	NA	NA
+PJ033331	GQKMMW 	C34H53N9O8S2	779.3459	NA	PeJP	NA	NA
+PJ033332	GSTQKEM 	C30H53N9O13S	779.3484	NA	PeJP	NA	NA
+PJ033333	SPVEYW 	C38H49N7O11	779.349	NA	PeJP	NA	NA
+PJ033334	APCCKKM 	C31H57N9O8S3	779.3493	NA	PeJP	NA	NA
+PJ033335	AEMHHR 	C31H49N13O9S	779.3497	NA	PeJP	NA	NA
+PJ033336	GPHHFW 	C39H45N11O7	779.3504	NA	PeJP	NA	NA
+PJ033337	TTLEMW 	C35H53N7O11S	779.3524	NA	PeJP	NA	NA
+PJ033338	SCQMRR 	C28H53N13O9S2	779.3531	NA	PeJP	NA	NA
+PJ033339	GLMHHW 	C36H49N11O7S	779.3538	NA	PeJP	NA	NA
+PJ033340	STTTLEE 	C31H53N7O16	779.3549	NA	PeJP	NA	NA
+PJ033341	LKEEMM 	C32H57N7O11S2	779.3558	NA	PeJP	NA	NA
+PJ033342	GSSSTRW 	C32H49N11O12	779.3562	NA	PeJP	NA	NA
+PJ033343	GGAQERY 	C32H49N11O12	779.3563	NA	PeJP	NA	NA
+PJ033344	GCKMRW 	C33H53N11O7S2	779.3571	NA	PeJP	NA	NA
+PJ033345	VNHHHH 	C33H45N15O8	779.3576	NA	PeJP	NA	NA
+PJ033346	GSSDKMR 	C29H53N11O12S	779.3596	NA	PeJP	NA	NA
+PJ033347	SSSKWW 	C37H49N9O10	779.3603	NA	PeJP	NA	NA
+PJ033348	STQKMW 	C34H53N9O10S	779.3636	NA	PeJP	NA	NA
+PJ033349	GGGAPKMY 	C34H53N9O10S	779.3637	NA	PeJP	NA	NA
+PJ033350	LEFWW 	C42H49N7O8	779.3643	NA	PeJP	NA	NA
+PJ033351	SSSDKKE 	C30H53N9O15	779.3661	NA	PeJP	NA	NA
+PJ033352	TLEMMR 	C31H57N9O10S2	779.367	NA	PeJP	NA	NA
+PJ033353	GNDRRY 	C31H49N13O11	779.3675	NA	PeJP	NA	NA
+PJ033354	APLMYW 	C39H53N7O8S	779.3677	NA	PeJP	NA	NA
+PJ033355	GHHHHR 	C32H45N17O7	779.3688	NA	PeJP	NA	NA
+PJ033356	VLQEEY 	C35H53N7O13	779.3702	NA	PeJP	NA	NA
+PJ033357	ASSTCRR 	C28H53N13O11S	779.3708	NA	PeJP	NA	NA
+PJ033358	GSSSMRR 	C28H53N13O11S	779.3709	NA	PeJP	NA	NA
+PJ033359	SLLMMW 	C36H57N7O8S2	779.371	NA	PeJP	NA	NA
+PJ033360	QQRYW 	C36H49N11O9	779.3715	NA	PeJP	NA	NA
+PJ033361	SSTLLEM 	C32H57N7O13S	779.3735	NA	PeJP	NA	NA
+PJ033362	AALLMMM 	C33H61N7O8S3	779.3744	NA	PeJP	NA	NA
+PJ033363	STCKRW 	C33H53N11O9S	779.3749	NA	PeJP	NA	NA
+PJ033364	NKFWW 	C41H49N9O7	779.3755	NA	PeJP	NA	NA
+PJ033365	SSSSKER 	C29H53N11O14	779.3774	NA	PeJP	NA	NA
+PJ033366	SQKMMR 	C30H57N11O9S2	779.3782	NA	PeJP	NA	NA
+PJ033367	GGTKMMR 	C30H57N11O9S2	779.3783	NA	PeJP	NA	NA
+PJ033368	PPLMHW 	C38H53N9O7S	779.3789	NA	PeJP	NA	NA
+PJ033369	GSTTTKW 	C34H53N9O12	779.3814	NA	PeJP	NA	NA
+PJ033370	GKKMMW 	C35H57N9O7S2	779.3823	NA	PeJP	NA	NA
+PJ033371	GPQHRW 	C35H49N13O8	779.3827	NA	PeJP	NA	NA
+PJ033372	GGAPHRW 	C35H49N13O8	779.3828	NA	PeJP	NA	NA
+PJ033373	GSTKKEM 	C31H57N9O12S	779.3848	NA	PeJP	NA	NA
+PJ033374	GLLEYW 	C39H53N7O10	779.3854	NA	PeJP	NA	NA
+PJ033375	VLMMMR 	C32H61N9O7S3	779.3856	NA	PeJP	NA	NA
+PJ033376	GNMFRR 	C32H53N13O8S	779.3861	NA	PeJP	NA	NA
+PJ033377	SSSSTRR 	C28H53N13O13	779.3886	NA	PeJP	NA	NA
+PJ033378	PLKEMY 	C36H57N7O10S	779.3888	NA	PeJP	NA	NA
+PJ033379	SCKMRR 	C29H57N13O8S2	779.3895	NA	PeJP	NA	NA
+PJ033380	ATTLLMM 	C33H61N7O10S2	779.3922	NA	PeJP	NA	NA
+PJ033381	GQKERY 	C33H53N11O11	779.3926	NA	PeJP	NA	NA
+PJ033382	GGGGGGKKY 	C33H53N11O11	779.3927	NA	PeJP	NA	NA
+PJ033383	PPHHHR 	C34H49N15O7	779.394	NA	PeJP	NA	NA
+PJ033384	GSTTKMR 	C30H57N11O11S	779.396	NA	PeJP	NA	NA
+PJ033385	AVNKYW 	C38H53N9O9	779.3966	NA	PeJP	NA	NA
+PJ033386	GVQKYW 	C38H53N9O9	779.3967	NA	PeJP	NA	NA
+PJ033387	STKKMW 	C35H57N9O9S	779.4	NA	PeJP	NA	NA
+PJ033388	LLYWW 	C43H53N7O7	779.4007	NA	PeJP	NA	NA
+PJ033389	SSTTKKE 	C31H57N9O14	779.4025	NA	PeJP	NA	NA
+PJ033390	DKKKMM 	C32H61N9O9S2	779.4034	NA	PeJP	NA	NA
+PJ033391	GTQRRY 	C32H53N13O10	779.4039	NA	PeJP	NA	NA
+PJ033392	ALLMFW 	C40H57N7O7S	779.4041	NA	PeJP	NA	NA
+PJ033393	VLKEEY 	C36H57N7O12	779.4065	NA	PeJP	NA	NA
+PJ033394	GSVLLEY 	C36H57N7O12	779.4066	NA	PeJP	NA	NA
+PJ033395	QKRYW 	C37H53N11O8	779.4079	NA	PeJP	NA	NA
+MJ094120	idin D; 7-Deoxy 	C40H61NO14	779.409205	NA	MeJP	NA	NA
+PJ033396	TTTTLLM 	C33H61N7O12S	779.4099	NA	PeJP	NA	NA
+PJ033397	AQKMFR 	C34H57N11O8S	779.4113	NA	PeJP	NA	NA
+PJ033398	SSTTTKR 	C30H57N11O13	779.4137	NA	PeJP	NA	NA
+PJ033399	SKKMMR 	C31H61N11O8S2	779.4146	NA	PeJP	NA	NA
+PJ033400	SPQHRR 	C31H53N15O9	779.4151	NA	PeJP	NA	NA
+PJ033401	SLLERY 	C35H57N9O11	779.4178	NA	PeJP	NA	NA
+PJ033402	GPKHRW 	C36H53N13O7	779.4191	NA	PeJP	NA	NA
+PJ033403	SSSLKKM 	C32H61N9O11S	779.4211	NA	PeJP	NA	NA
+PJ033404	SVLLYW 	C40H57N7O9	779.4218	NA	PeJP	NA	NA
+PJ033405	ACKFRR 	C33H57N13O7S	779.4225	NA	PeJP	NA	NA
+PJ033406	LLLQMY 	C37H61N7O9S	779.4252	NA	PeJP	NA	NA
+PJ033407	GKKERY 	C34H57N11O10	779.429	NA	PeJP	NA	NA
+PJ033408	GVKKYW 	C39H57N9O8	779.433	NA	PeJP	NA	NA
+PJ033409	GGPKKFF 	C39H57N9O8	779.4331	NA	PeJP	NA	NA
+PJ033410	VVLMRY 	C36H61N9O8S	779.4364	NA	PeJP	NA	NA
+PJ033411	TTTTTKK 	C32H61N9O13	779.4389	NA	PeJP	NA	NA
+PJ033412	GTKRRY 	C33H57N13O9	779.4403	NA	PeJP	NA	NA
+PJ033413	GTTLLLY 	C37H61N7O11	779.4429	NA	PeJP	NA	NA
+PJ033414	KKRYW 	C38H57N11O7	779.4443	NA	PeJP	NA	NA
+PJ033415	AKKMFR 	C35H61N11O7S	779.4476	NA	PeJP	NA	NA
+PJ033416	VCKKFR 	C35H61N11O7S	779.4477	NA	PeJP	NA	NA
+PJ033417	SPKHRR 	C32H57N15O8	779.4515	NA	PeJP	NA	NA
+PJ033418	VDKKKY 	C36H61N9O10	779.4542	NA	PeJP	NA	NA
+PJ033419	PLLKFY 	C41H61N7O8	779.4582	NA	PeJP	NA	NA
+PJ033420	LLLKMY 	C38H65N7O8S	779.4616	NA	PeJP	NA	NA
+PJ033421	GVHRRR 	C31H57N17O7	779.4627	NA	PeJP	NA	NA
+PJ033422	SVKKRY 	C35H61N11O9	779.4654	NA	PeJP	NA	NA
+PJ033423	VLLLHW 	C40H61N9O7	779.4694	NA	PeJP	NA	NA
+PJ033424	VKKKMF 	C37H65N9O7S	779.4728	NA	PeJP	NA	NA
+HMDB12340	PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C42H70NO10P	779.473755	NA	HMDB2010	NA	NA
+HMDB12414	PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))	C42H70NO10P	779.473755	NA	HMDB2010	NA	NA
+HMDB12440	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)	C42H70NO10P	779.473755	NA	HMDB2010	NA	NA
+PJ033425	HRRRR 	C30H57N19O6	779.474	NA	PeJP	NA	NA
+3498	ACE inhibitor from b-casein (169-175)	KVLPVPQ	779.476	ACE inhibitor	Inhouse_peptide	NA	peptide
+7877	peptide derived from bovine b-casein (170-176)	VLPVPQK	779.476	antibacterial	Inhouse_peptide	NA	peptide
+PJ033426	AAPPLRR 	C34H61N13O8	779.4766	NA	PeJP	NA	NA
+PJ033427	GPPVVRR 	C34H61N13O8	779.4767	NA	PeJP	NA	NA
+PJ033428	PPVLLLE 	C38H65N7O10	779.4793	NA	PeJP	NA	NA
+MJ094121	Antibiotic X 14952B 	C42H69NO12	779.481976	NA	MeJP	NA	NA
+PJ033429	PPVRRR 	C33H61N15O7	779.4879	NA	PeJP	NA	NA
+PJ033430	TLKKKY 	C37H65N9O9	779.4906	NA	PeJP	NA	NA
+PJ033431	LLLKFF 	C42H65N7O7	779.4946	NA	PeJP	NA	NA
+PJ033432	GPPLLKR 	C36H65N11O8	779.5018	NA	PeJP	NA	NA
+PJ033433	VLKKHR 	C35H65N13O7	779.513	NA	PeJP	NA	NA
+HMDB12313	3-O-Sulfogalactosylceramide (d18:1/16:0)	C40H77NO11S	779.521729	NA	HMDB2010	NA	NA
+PJ033434	PPVVLKK 	C38H69N9O8	779.5269	NA	PeJP	NA	NA
+EUR695	PC(34:2) [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR945	PC 34:2 [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR695	PC(34:2) [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR945	PC 34:2 [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR695	PC(34:2) [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR945	PC 34:2 [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR695	PC(34:2) [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	Inhousejuil11	NA	NA
+EUR945	PC 34:2 [M+Na]+	C42H80NO8P	779.544103	masses lipides attendues	Inhousejuil11	NA	NA
+EUR684	PC(36:5) monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR979	PC 36:5 monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR684	PC(36:5) monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR979	PC 36:5 monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR684	PC(36:5) monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR979	PC 36:5 monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR684	PC(36:5) monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	Inhousejuil11	NA	NA
+EUR979	PC 36:5 monoisotopic mass 	C44H78NO8P	779.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07890	PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB07891	PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB07922	PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB07984	PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08015	PC(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08016	PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08075	PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08108	PC(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08140	PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08141	PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08171	PC(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08204	PC(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08235	PC(18:4(6Z,9Z,12Z,15Z)/18:1(11Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08236	PC(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08430	PC(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08463	PC(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08495	PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08624	PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08656	PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+HMDB08689	PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)	C44H78NO8P	779.546509	NA	HMDB2010	NA	NA
+PJ033435	PVLLLLL 	C40H73N7O8	779.5521	NA	PeJP	NA	NA
+HMDB09610	PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)	C45H82NO7P	779.582886	NA	HMDB2010	NA	NA
+HMDB11391	PE(P-18:0/22:4(7Z,10Z,13Z,16Z))	C45H82NO7P	779.582886	NA	HMDB2010	NA	NA
+MJ094122	Rhodoquinone 9 	C53H81NO3	779.621645	NA	MeJP	NA	NA
+MJ094123	Emblicanin B 	C34H20O22	780.044622	NA	MeJP	NA	NA
+PJ033436	GSCCCCCC 	C23H40N8O10S6	780.1192	NA	PeJP	NA	NA
+FL2FABGM0004	5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-(4,6-digalloylglucoside);Matteucinol-7-O-[4'',6''-di-O-galloyl]-beta-D-glucopyranoside	C38H36O18	780.19016	374907-39-8	knapsack	NA	NA
+PJ033437	SCCCNDH 	C26H40N10O12S3	780.199	NA	PeJP	NA	NA
+PJ033438	PCCNDDD 	C27H40N8O15S2	780.2055	NA	PeJP	NA	NA
+PJ033439	CCDDYY 	C32H40N6O13S2	780.2095	NA	PeJP	NA	NA
+PJ033440	CCMMMY 	C30H48N6O8S5	780.2137	NA	PeJP	NA	NA
+PJ033441	GCCCQMH 	C27H44N10O9S4	780.2176	NA	PeJP	NA	NA
+PJ033442	GCNDDEE 	C27H40N8O17S	780.2232	NA	PeJP	NA	NA
+PJ033443	GNDDDDM 	C27H40N8O17S	780.2233	NA	PeJP	NA	NA
+PJ033444	GSPPCCCD 	C28H44N8O12S3	780.2241	NA	PeJP	NA	NA
+MJ094124	Sucrose; 1',3',6'-Tris(4-hydroxycinnamoyl) 	C39H40O17	780.226549	NA	MeJP	NA	NA
+PJ033445	CCDMFY 	C33H44N6O10S3	780.2281	NA	PeJP	NA	NA
+PJ033446	GCCCCHR 	C26H44N12O8S4	780.2288	NA	PeJP	NA	NA
+PJ033447	SCNNNDD 	C26H40N10O16S	780.2345	NA	PeJP	NA	NA
+PJ033448	SSCCNMH 	C27H44N10O11S3	780.2353	NA	PeJP	NA	NA
+PJ033449	GGSSCCMH 	C27H44N10O11S3	780.2354	NA	PeJP	NA	NA
+PJ033450	CNDDEW 	C31H40N8O14S	780.2385	NA	PeJP	NA	NA
+PJ033451	SSNDDDE 	C27H40N8O19	780.241	NA	PeJP	NA	NA
+PJ033452	SPCNDDM 	C28H44N8O14S2	780.2419	NA	PeJP	NA	NA
+PJ033453	CEMMMH 	C29H48N8O9S4	780.2427	NA	PeJP	NA	NA
+PJ033454	GAPPCCCM 	C29H48N8O9S4	780.2428	NA	PeJP	NA	NA
+PJ033455	SCDMYY 	C33H44N6O12S2	780.2459	NA	PeJP	NA	NA
+PJ033456	CCMMFF 	C34H48N6O7S4	780.2468	NA	PeJP	NA	NA
+HMDB01196	N,N'-Diacetylchitobiosyldiphosphodolichol	C28H50N2O19P2	780.24829	http://www.hmdb.ca/metabolites/HMDB01196	HMDB	NA	NA
+HMDB01196	N,N'-Diacetylchitobiosyldiphosphodolichol	C28H50N2O19P2	780.24829	HMDB01196	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01196	N,N'-Diacetylchitobiosyldiphosphodolichol	C28H50N2O19P2	780.248291	NA	HMDB2010	NA	NA
+PJ033457	DEEEEM 	C29H44N6O17S	780.2484	NA	PeJP	NA	NA
+PJ033458	GSSSTCCH 	C27H44N10O13S2	780.2531	NA	PeJP	NA	NA
+PJ033459	GCDDWW 	C35H40N8O11S	780.2538	NA	PeJP	NA	NA
+PJ033460	PPCCCCR 	C28H48N10O8S4	780.254	NA	PeJP	NA	NA
+PJ033461	GSSDDDW 	C31H40N8O16	780.2563	NA	PeJP	NA	NA
+PJ033462	GSPCCEW 	C32H44N8O11S2	780.2571	NA	PeJP	NA	NA
+PJ033463	GSNDEEM 	C28H44N8O16S	780.2596	NA	PeJP	NA	NA
+PJ033464	GPCNEMM 	C29H48N8O11S3	780.2605	NA	PeJP	NA	NA
+PJ033465	CCDFFF 	C37H44N6O9S2	780.2612	NA	PeJP	NA	NA
+PJ033466	GCCNNDR 	C26H44N12O12S2	780.2643	NA	PeJP	NA	NA
+PJ033467	GGGCCNDR 	C26H44N12O12S2	780.2644	NA	PeJP	NA	NA
+PJ033468	ACMMYY 	C34H48N6O9S3	780.2645	NA	PeJP	NA	NA
+PJ033469	DDEEHH 	C30H40N10O15	780.2675	NA	PeJP	NA	NA
+PJ033470	CCQQHY 	C31H44N10O10S2	780.2683	NA	PeJP	NA	NA
+PJ033471	CNNNMW 	C31H44N10O10S2	780.2684	NA	PeJP	NA	NA
+PJ033472	SSCNNQE 	C27H44N10O15S	780.2708	NA	PeJP	NA	NA
+PJ033473	GSCDDER 	C27H44N10O15S	780.2709	NA	PeJP	NA	NA
+PJ033474	GPCCDMR 	C28H48N10O10S3	780.2717	NA	PeJP	NA	NA
+PJ033475	GGGGPCCCK 	C28H48N10O10S3	780.2718	NA	PeJP	NA	NA
+PJ033476	SPCCWW 	C36H44N8O8S2	780.2724	NA	PeJP	NA	NA
+PJ033477	SNDEMW 	C32H44N8O13S	780.2749	NA	PeJP	NA	NA
+PJ033478	PCNMMW 	C33H48N8O8S3	780.2758	NA	PeJP	NA	NA
+PJ033479	SSSNEEE 	C28H44N8O18	780.2774	NA	PeJP	NA	NA
+PJ033480	SSPNDMM 	C29H48N8O13S2	780.2782	NA	PeJP	NA	NA
+PJ033481	NQEEMM 	C29H48N8O13S2	780.2783	NA	PeJP	NA	NA
+PJ033482	GSNDDHH 	C29H40N12O14	780.2787	NA	PeJP	NA	NA
+PJ033483	GCEFYY 	C37H44N6O11S	780.2789	NA	PeJP	NA	NA
+PJ033484	TMMMMH 	C30H52N8O8S4	780.2791	NA	PeJP	NA	NA
+PJ033485	GPCCQHH 	C30H44N12O9S2	780.2796	NA	PeJP	NA	NA
+PJ033486	PDEEEY 	C33H44N6O16	780.2814	NA	PeJP	NA	NA
+PJ033487	SSMMYY 	C34H48N6O11S2	780.2823	NA	PeJP	NA	NA
+PJ033488	SCDDRW 	C31H44N10O12S	780.2861	NA	PeJP	NA	NA
+PJ033489	SSSDDDR 	C27H44N10O17	780.2886	NA	PeJP	NA	NA
+MJ094125	17-Hydroxydihydromyrsinol; 3,14-Bis(3-pyridinecarbonyl), 7-benzoyl, 5,15-di-Ac 	C43H44N2O12	780.289424	NA	MeJP	NA	NA
+PJ033490	NDDMMR 	C28H48N10O12S2	780.2895	NA	PeJP	NA	NA
+PJ033491	GSDMWW 	C36H44N8O10S	780.2901	NA	PeJP	NA	NA
+PJ033492	GGPCDFW 	C36H44N8O10S	780.2902	NA	PeJP	NA	NA
+PJ033493	GSSSEEW 	C32H44N8O15	780.2926	NA	PeJP	NA	NA
+PJ033494	GGGSPDEY 	C32H44N8O15	780.2927	NA	PeJP	NA	NA
+PJ033495	GQEMMW 	C33H48N8O10S2	780.2935	NA	PeJP	NA	NA
+PJ033496	CFYYW 	C41H44N6O8S	780.2941	NA	PeJP	NA	NA
+PJ033497	GSTQEEM 	C29H48N8O15S	780.296	NA	PeJP	NA	NA
+PJ033498	GSEYYY 	C37H44N6O13	780.2967	NA	PeJP	NA	NA
+PJ033499	GSPQMMM 	C30H52N8O10S3	780.2969	NA	PeJP	NA	NA
+PJ033500	SSPCNHH 	C30H44N12O11S	780.2973	NA	PeJP	NA	NA
+PJ033501	NNEMHH 	C30H44N12O11S	780.2974	NA	PeJP	NA	NA
+PJ033502	ACMFFY 	C38H48N6O8S2	780.2975	NA	PeJP	NA	NA
+PJ033503	PEEEMF 	C34H48N6O13S	780.3	NA	PeJP	NA	NA
+PJ033504	CCDERR 	C27H48N12O11S2	780.3007	NA	PeJP	NA	NA
+PJ033505	CNNHFF 	C35H44N10O9S	780.3014	NA	PeJP	NA	NA
+PJ033506	LEEEMM 	C31H52N6O13S2	780.3034	NA	PeJP	NA	NA
+PJ033507	SSSSNNW 	C31H44N10O14	780.3039	NA	PeJP	NA	NA
+PJ033508	ACDMRW 	C32H48N10O9S2	780.3047	NA	PeJP	NA	NA
+PJ033509	GCEMRW 	C32H48N10O9S2	780.3048	NA	PeJP	NA	NA
+PJ033510	TCWWW 	C40H44N8O7S	780.3054	NA	PeJP	NA	NA
+PJ033511	SSVCDDR 	C28H48N10O14S	780.3072	NA	PeJP	NA	NA
+PJ033512	GSSDEMR 	C28H48N10O14S	780.3073	NA	PeJP	NA	NA
+MJ094126	Pacidamycin 5T 	C36H44N8O12	780.307868	NA	MeJP	NA	NA
+PJ033513	SSSEWW 	C36H44N8O12	780.3079	NA	PeJP	NA	NA
+PJ033514	GSPCMMR 	C29H52N10O9S3	780.3081	NA	PeJP	NA	NA
+PJ033515	CNDHHR 	C29H44N14O10S	780.3086	NA	PeJP	NA	NA
+PJ033516	QMMWW 	C37H48N8O7S2	780.3088	NA	PeJP	NA	NA
+PJ033517	STQEMW 	C33H48N8O12S	780.3113	NA	PeJP	NA	NA
+PJ033518	SYYYW 	C41H44N6O10	780.3119	NA	PeJP	NA	NA
+PJ033519	CLMMHF 	C34H52N8O7S3	780.3121	NA	PeJP	NA	NA
+PJ033520	GNMHHW 	C34H44N12O8S	780.3126	NA	PeJP	NA	NA
+PJ033521	SSSDKEE 	C29H48N8O17	780.3138	NA	PeJP	NA	NA
+PJ033522	NKEEMM 	C30H52N8O12S2	780.3146	NA	PeJP	NA	NA
+PJ033523	GGKEEMM 	C30H52N8O12S2	780.3147	NA	PeJP	NA	NA
+PJ033524	GSSQEHH 	C30H44N12O13	780.3151	NA	PeJP	NA	NA
+PJ033525	AAMYYY 	C38H48N6O10S	780.3153	NA	PeJP	NA	NA
+PJ033526	GPCCKHH 	C31H48N12O8S2	780.316	NA	PeJP	NA	NA
+PJ033527	VEEEEF 	C34H48N6O15	780.3178	NA	PeJP	NA	NA
+PJ033528	SSSCNQR 	C27H48N12O13S	780.3185	NA	PeJP	NA	NA
+PJ033529	GNNQYW 	C35H44N10O11	780.3191	NA	PeJP	NA	NA
+PJ033530	GGGGGGAYW 	C35H44N10O11	780.3192	NA	PeJP	NA	NA
+PJ033531	CMRWW 	C36H48N10O6S2	780.32	NA	PeJP	NA	NA
+MJ094127	Terracinolide A; 6-Debenzoyl, 6-Ac 	C38H52O17	780.32045	NA	MeJP	NA	NA
+PJ033532	SSDMRW 	C32H48N10O11S	780.3225	NA	PeJP	NA	NA
+PJ033533	NEFWW 	C40H44N8O9	780.3231	NA	PeJP	NA	NA
+PJ033534	GGEFWW 	C40H44N8O9	780.3232	NA	PeJP	NA	NA
+PJ033535	SSSSEER 	C28H48N10O16	780.325	NA	PeJP	NA	NA
+PJ033536	SQEMMR 	C29H52N10O11S2	780.3259	NA	PeJP	NA	NA
+PJ033537	GTTMWW 	C37H48N8O9S	780.3265	NA	PeJP	NA	NA
+3715	NA	YSQQQQ	780.327	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ033538	GSTTTEW 	C33H48N8O14	780.329	NA	PeJP	NA	NA
+PJ033539	GKEMMW 	C34H52N8O9S2	780.3299	NA	PeJP	NA	NA
+PJ033540	SSQHHW 	C34H44N12O10	780.3304	NA	PeJP	NA	NA
+PJ033541	ACFFFF 	C42H48N6O7S	780.3306	NA	PeJP	NA	NA
+PJ033542	GSTKEEM 	C30H52N8O14S	780.3324	NA	PeJP	NA	NA
+PJ033543	ATTYYY 	C38H48N6O12	780.333	NA	PeJP	NA	NA
+PJ033544	PPEEFY 	C38H48N6O12	780.3331	NA	PeJP	NA	NA
+PJ033545	GSPKMMM 	C31H56N8O9S3	780.3333	NA	PeJP	NA	NA
+PJ033546	CNNQFR 	C31H48N12O10S	780.3337	NA	PeJP	NA	NA
+PJ033547	GGGGCQFR 	C31H48N12O10S	780.3338	NA	PeJP	NA	NA
+MJ094128	Zaragozic acid D3; 8-Me ester 	C42H52O14	780.335706	NA	MeJP	NA	NA
+PJ033548	GSSSSSNR 	C27H48N12O15	780.3362	NA	PeJP	NA	NA
+PJ033549	PLEEMY 	C35H52N6O12S	780.3364	NA	PeJP	NA	NA
+PJ033550	SCEMRR 	C28H52N12O10S2	780.3371	NA	PeJP	NA	NA
+PJ033551	GPCRYW 	C36H48N10O8S	780.3378	NA	PeJP	NA	NA
+PJ033552	GFWWW 	C44H44N8O6	780.3384	NA	PeJP	NA	NA
+PJ033553	SQQQQY 	C32H48N10O13	780.3402	NA	PeJP	NA	NA
+PJ033554	GQEERY 	C32H48N10O13	780.3403	NA	PeJP	NA	NA
+PJ033555	GTMMRW 	C33H52N10O8S2	780.3411	NA	PeJP	NA	NA
+PJ033556	VDHHHH 	C33H44N14O9	780.3416	NA	PeJP	NA	NA
+PJ033557	GSTTEMR 	C29H52N10O13S	780.3436	NA	PeJP	NA	NA
+PJ033558	STTTWW 	C37H48N8O11	780.3443	NA	PeJP	NA	NA
+PJ033559	VNMMMR 	C30H56N10O8S3	780.3445	NA	PeJP	NA	NA
+PJ033560	SNMHHR 	C30H48N14O9S	780.345	NA	PeJP	NA	NA
+PJ033561	KMMWW 	C38H52N8O6S2	780.3452	NA	PeJP	NA	NA
+PJ033562	GHHHFF 	C38H44N12O7	780.3456	NA	PeJP	NA	NA
+PJ033563	STKEMW 	C34H52N8O11S	780.3476	NA	PeJP	NA	NA
+PJ033564	TTDKMW 	C34H52N8O11S	780.3477	NA	PeJP	NA	NA
+PJ033565	AAFFYY 	C42H48N6O9	780.3483	NA	PeJP	NA	NA
+PJ033566	ACKHHW 	C35H48N12O7S	780.349	NA	PeJP	NA	NA
+PJ033567	SSTTKEE 	C30H52N8O16	780.3501	NA	PeJP	NA	NA
+PJ033568	GSSSTTLE 	C30H52N8O16	780.3502	NA	PeJP	NA	NA
+PJ033569	DKKEMM 	C31H56N8O11S2	780.351	NA	PeJP	NA	NA
+PJ033570	GDDRRY 	C31H48N12O12	780.3515	NA	PeJP	NA	NA
+PJ033571	PCCFRR 	C32H52N12O7S2	780.3524	NA	PeJP	NA	NA
+PJ033572	VLEEEY 	C35H52N6O14	780.3542	NA	PeJP	NA	NA
+PJ033573	SSSCNKR 	C28H52N12O12S	780.3549	NA	PeJP	NA	NA
+PJ033574	QERYW 	C36H48N10O10	780.3555	NA	PeJP	NA	NA
+PJ033575	GMMMRR 	C29H56N12O7S3	780.3557	NA	PeJP	NA	NA
+PJ033576	STTMRW 	C33H52N10O10S	780.3589	NA	PeJP	NA	NA
+PJ033577	VQYWW 	C41H48N8O8	780.3595	NA	PeJP	NA	NA
+PJ033578	SSTTTER 	C29H52N10O15	780.3614	NA	PeJP	NA	NA
+C16563	Bis(glutathionyl)spermine	C30H56N10O10S2	780.3622	NA	KEGG	NA	NA
+PJ033579	SKEMMR 	C30H56N10O10S2	780.3623	NA	PeJP	NA	NA
+PJ033580	GSSTHHR 	C30H48N14O11	780.3627	NA	PeJP	NA	NA
+PJ033581	GGGGGSPHR 	C30H48N14O11	780.3628	NA	PeJP	NA	NA
+PJ033582	GPKMYW 	C38H52N8O8S	780.3629	NA	PeJP	NA	NA
+PJ033583	SSSTTLW 	C34H52N8O13	780.3654	NA	PeJP	NA	NA
+PJ033584	SVKMMW 	C35H56N8O8S2	780.3663	NA	PeJP	NA	NA
+PJ033585	GPEHRW 	C35H48N12O9	780.3668	NA	PeJP	NA	NA
+PJ033586	SSSLKEM 	C31H56N8O13S	780.3688	NA	PeJP	NA	NA
+PJ033587	PPLEYY 	C39H52N6O11	780.3694	NA	PeJP	NA	NA
+PJ033588	LQKMMM 	C32H60N8O8S3	780.3697	NA	PeJP	NA	NA
+PJ033589	SPCRRY 	C32H52N12O9S	780.3701	NA	PeJP	NA	NA
+PJ033590	ARYWW 	C40H48N10O7	780.3708	NA	PeJP	NA	NA
+PJ033591	LLEEMF 	C36H56N6O11S	780.3728	NA	PeJP	NA	NA
+PJ033592	STMMRR 	C29H56N12O9S2	780.3735	NA	PeJP	NA	NA
+PJ033593	AAMFRW 	C37H52N10O7S	780.3742	NA	PeJP	NA	NA
+PJ033594	ADKERY 	C33H52N10O12	780.3766	NA	PeJP	NA	NA
+PJ033595	GKEERY 	C33H52N10O12	780.3767	NA	PeJP	NA	NA
+PJ033596	PCKMFR 	C34H56N10O7S2	780.3775	NA	PeJP	NA	NA
+PJ033597	GQHHFR 	C34H48N14O8	780.378	NA	PeJP	NA	NA
+PJ033598	SSSTLMR 	C30H56N10O12S	780.38	NA	PeJP	NA	NA
+PJ033599	GVKEYW 	C38H52N8O10	780.3807	NA	PeJP	NA	NA
+PJ033600	CLKMMR 	C31H60N10O7S3	780.3809	NA	PeJP	NA	NA
+PJ033601	TCKHHR 	C31H52N14O8S	780.3814	NA	PeJP	NA	NA
+PJ033602	PHRWW 	C39H48N12O6	780.382	NA	PeJP	NA	NA
+PJ033603	PDKKMY 	C35H56N8O10S	780.384	NA	PeJP	NA	NA
+PJ033604	GGGALLMY 	C35H56N8O10S	780.3841	NA	PeJP	NA	NA
+PJ033605	TTTTTKE 	C31H56N8O15	780.3865	NA	PeJP	NA	NA
+PJ033606	GTTLKMM 	C32H60N8O10S2	780.3874	NA	PeJP	NA	NA
+PJ033607	GTERRY 	C32H52N12O11	780.3879	NA	PeJP	NA	NA
+PJ033608	KERYW 	C37H52N10O9	780.3919	NA	PeJP	NA	NA
+MJ094129	21,23:22,28:26,28-Triepoxystigmasta-8,14-diene-3,21,24-triol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] 	C40H60O15	780.393221	NA	MeJP	NA	NA
+MJ094130	Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C40H60O15	780.393221	NA	MeJP	NA	NA
+PJ033609	SPKMRY 	C34H56N10O9S	780.3953	NA	PeJP	NA	NA
+PJ033610	VKYWW 	C42H52N8O7	780.3959	NA	PeJP	NA	NA
+PJ033611	TTTTTTR 	C30H56N10O14	780.3978	NA	PeJP	NA	NA
+PJ033612	ATCCKKK 	C31H60N10O9S2	780.3986	NA	PeJP	NA	NA
+PJ033613	GSCKKKM 	C31H60N10O9S2	780.3987	NA	PeJP	NA	NA
+PJ033614	SPEHRR 	C31H52N14O10	780.3991	NA	PeJP	NA	NA
+PJ033615	GLKMFW 	C39H56N8O7S	780.3993	NA	PeJP	NA	NA
+PJ033616	VDKKEY 	C35H56N8O12	780.4018	NA	PeJP	NA	NA
+PJ033617	PKKMMF 	C36H60N8O7S2	780.4027	NA	PeJP	NA	NA
+PJ033618	TRRYW 	C36H52N12O8	780.4031	NA	PeJP	NA	NA
+PJ033619	GGVKHHF 	C36H52N12O8	780.4032	NA	PeJP	NA	NA
+PJ033620	STTTLKM 	C32H60N8O12S	780.4052	NA	PeJP	NA	NA
+PJ033621	PLLEFY 	C40H56N6O10	780.4058	NA	PeJP	NA	NA
+PJ033622	LKKMMM 	C33H64N8O7S3	780.406	NA	PeJP	NA	NA
+PJ033623	GVMRRY 	C33H56N12O8S	780.4065	NA	PeJP	NA	NA
+PJ033624	LLLEMY 	C37H60N6O10S	780.4092	NA	PeJP	NA	NA
+PJ033625	GQQHRR 	C30H52N16O9	780.4104	NA	PeJP	NA	NA
+PJ033626	SVKERY 	C34H56N10O11	780.413	NA	PeJP	NA	NA
+PJ033627	GGGVLLEH 	C34H56N10O11	780.4131	NA	PeJP	NA	NA
+PJ033628	GKHHFR 	C35H52N14O7	780.4144	NA	PeJP	NA	NA
+PJ033629	SSTCKKK 	C31H60N10O11S	780.4164	NA	PeJP	NA	NA
+PJ033630	SVVKYW 	C39H56N8O9	780.417	NA	PeJP	NA	NA
+PJ033631	ATLKYW 	C39H56N8O9	780.4171	NA	PeJP	NA	NA
+PJ033632	MRRRY 	C32H56N14O7S	780.4177	NA	PeJP	NA	NA
+PJ033633	PCLHRR 	C32H56N14O7S	780.4178	NA	PeJP	NA	NA
+PJ033634	VLQKMY 	C36H60N8O9S	780.4204	NA	PeJP	NA	NA
+PJ033635	SSLRRY 	C33H56N12O10	780.4243	NA	PeJP	NA	NA
+HMDB06748	N-Acetylneuraminyl-Galactosylceramide	C36H64N2O16	780.4256	http://www.hmdb.ca/metabolites/HMDB06748	HMDB	NA	NA
+HMDB06748	N-Acetylneuraminyl-Galactosylceramide	C36H64N2O16	780.4256	HMDB06748	PFEM_hmdb_metabocards_official	NA	NA
+PJ033636	PTLKHW 	C38H56N10O8	780.4283	NA	PeJP	NA	NA
+2988	kinases inhibitor	KKALRRQEAYDAL	780.42945	MH2+	Inhouse_peptide	NA	peptide
+C06956	Digoxin	C41H64O14	780.4296	NA	KEGG	NA	NA
+C08866	Gitoxin	C41H64O14	780.4296	NA	KEGG	NA	NA
+MJ094131	12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094132	2,3-Dihydroxy-24-nor-4(23),12-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094133	3,12,13-Trihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-[?-D-xylopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094134	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1?4)-O-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-O-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094135	3,16,29-Trihydroxycycloart-24-en-26,22-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094136	3,19,23-Trihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094137	3,22-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094138	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094139	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094140	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094141	Digoxin 	C41H64O14	780.429606	NA	MeJP	NA	NA
+MJ094142	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] 	C41H64O14	780.429606	NA	MeJP	NA	NA
+HMDB01917	Digoxin	C41H64O14	780.429626	NA	HMDB2010	NA	NA
+HMDB01917	Digoxin	C41H64O14	780.42963	http://www.hmdb.ca/metabolites/HMDB01917	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01917	Digoxin	C41H64O14	780.42963	http://www.hmdb.ca/metabolites/HMDB01917	HMDB	NA	NA
+HMDB01917	Digoxin	C41H64O14	780.42963	http://www.hmdb.ca/metabolites/HMDB01917	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01917	Digoxin	C41H64O14	780.42963	HMDB01917	PFEM_hmdb_metabocards_official	NA	NA
+PJ033637	ALKMRY 	C35H60N10O8S	780.4317	NA	PeJP	NA	NA
+PJ033638	ALEHRR 	C32H56N14O9	780.4355	NA	PeJP	NA	NA
+PJ033639	TLKKEY 	C36H60N8O11	780.4382	NA	PeJP	NA	NA
+PJ033640	GLLHRW 	C37H56N12O7	780.4395	NA	PeJP	NA	NA
+PJ033641	PLLLYY 	C41H60N6O9	780.4422	NA	PeJP	NA	NA
+PJ033642	PLKMHR 	C34H60N12O7S	780.4429	NA	PeJP	NA	NA
+PJ033643	GQKHRR 	C31H56N16O8	780.4467	NA	PeJP	NA	NA
+MJ094143	Boromycin; Desvalyl 	C40H64BO14(-)	780.446737	NA	MeJP	NA	NA
+PJ033644	GGAKHRR 	C31H56N16O8	780.4468	NA	PeJP	NA	NA
+PJ033645	TTLKRY 	C35H60N10O10	780.4494	NA	PeJP	NA	NA
+PJ033646	FFRRR 	C36H56N14O6	780.4508	NA	PeJP	NA	NA
+PJ033647	APPVVLW 	C40H60N8O8	780.4534	NA	PeJP	NA	NA
+MJ094144	Axinastatin 1; 4-L-Isoleucine, 5-L-leucine analogue 	C40H60N8O8	780.45341	NA	MeJP	NA	NA
+PJ033648	GPPVLLW 	C40H60N8O8	780.4535	NA	PeJP	NA	NA
+MJ094145	Factumycin; 14E-Isomer, 5,6-dihydro 	C44H64N2O10	780.456096	NA	MeJP	NA	NA
+PJ033649	VLKKMY 	C37H64N8O8S	780.4568	NA	PeJP	NA	NA
+MJ094146	Edeine; Edeine F 	C34H60N12O9	780.460621	NA	MeJP	NA	NA
+PJ033650	VLKEHR 	C34H60N12O9	780.4607	NA	PeJP	NA	NA
+MJ094147	Fluvirucin B; Fluvirucin B3, 4'-Epimer, 2'-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C37H68N2O15	780.461969	NA	MeJP	NA	NA
+PJ033651	PPLLRW 	C39H60N10O7	780.4647	NA	PeJP	NA	NA
+MJ094148	12-Oleanene-3,22-diol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094149	12-Oleanene-3,22-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094150	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094151	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094152	13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094153	16,22-Epoxycycloart-24-ene-3,26-diol, 3,26-Di-O-?-D-glucopyranoside 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094154	2,3-Dihydroxy-12-oleanen-28-oic acid, [?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094155	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094156	3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094157	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094158	5,19-Epoxycucurbita-6,23-diene-3,25-diol, 3-O-?-D-Allopyranoside, 25-O-?-D-glucopyranoside 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094159	Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 26-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094160	Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3,26-di-O-?-D-glucopyranoside 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094161	Cycloart-24-ene-3,6,16-triol, 6-Ketone, 3,16-di-O-?-D-glucopyranoside 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094162	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094163	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094164	Jujubogenin; 3-O-?-D-Glucopyranoside, 20-O-?-L-rhamnopyranoside 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094165	Maduralide 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094166	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094167	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094168	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094169	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094170	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094171	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094172	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O13	780.465992	NA	MeJP	NA	NA
+MJ094173	Oleanolic acid glycosyl esters; Diglycosides, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H68O13	780.465992	NA	MeJP	NA	NA
+C08790	Carnosifloside I	C42H68O13	780.466	NA	KEGG	NA	NA
+C08975	Saikosaponin A	C42H68O13	780.466	NA	KEGG	NA	NA
+PJ033652	CKKKKF 	C36H64N10O7S	780.468	NA	PeJP	NA	NA
+PJ033653	SLLHRR 	C33H60N14O8	780.4719	NA	PeJP	NA	NA
+PJ033654	PPVVLKE 	C37H64N8O10	780.4746	NA	PeJP	NA	NA
+PJ033655	LLLLFY 	C42H64N6O8	780.4786	NA	PeJP	NA	NA
+PJ033656	GKKHRR 	C32H60N16O7	780.4831	NA	PeJP	NA	NA
+PJ033657	SKKKKY 	C36H64N10O9	780.4858	NA	PeJP	NA	NA
+PJ033658	VLKKFF 	C41H64N8O7	780.4898	NA	PeJP	NA	NA
+PJ033659	GPPVKKR 	C35H64N12O8	780.497	NA	PeJP	NA	NA
+PJ033660	PPKKRR 	C34H64N14O7	780.5083	NA	PeJP	NA	NA
+PJ033661	PPTLLLK 	C38H68N8O9	780.511	NA	PeJP	NA	NA
+PJ033662	GPLLLLR 	C37H68N10O8	780.5222	NA	PeJP	NA	NA
+PJ033663	LKKKKH 	C36H68N12O7	780.5334	NA	PeJP	NA	NA
+MJ094174	Antibiotic 1308 	C44H76O11	780.538763	NA	MeJP	NA	NA
+PJ033664	PVVLLLK 	C39H72N8O8	780.5473	NA	PeJP	NA	NA
+MJ094175	Siphonaxanthin; 19-O-(2E-Dodecenoyl) 	C52H76O5	780.569275	NA	MeJP	NA	NA
+MJ094176	1,2-Di-O-acylglycerols; Glycerol 1-(9Z,12Z-octadecadienoate) 2-(9Z-octadecenoate), 3-O-?-D-Galactopyranoside 	C45H80O10	780.575148	NA	MeJP	NA	NA
+MJ094177	1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z,15Z-octadecatrienoate) 1-octadecanoate, 3-O-?-D-Galactopyranoside 	C45H80O10	780.575148	NA	MeJP	NA	NA
+MetaCyc04134	3-demethylubiquinone-9 []	C53H80O4	780.605661	NA	metacyc	NA	NA
+C03226	3-Demethylubiquinone-9	C53H80O4	780.6057	NA	KEGG	NA	NA
+EUR1090	SM(d18:1/20:0) [M+Na]+	C43H87N2O6P	780.612122	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1090	SM(d18:1/20:0) [M+Na]+	C43H87N2O6P	780.612122	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1090	SM(d18:1/20:0) [M+Na]+	C43H87N2O6P	780.612122	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1090	SM(d18:1/20:0) [M+Na]+	C43H87N2O6P	780.612122	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB13468	SM(d18:0/22:3(10Z,13Z,16Z))	C45H85N2O6P	780.614502	NA	HMDB2010	NA	NA
+MJ094178	20(29)-Lupen-3-ol, 3,5-Dihydroxydocosanoyl 	C52H92O4	780.699561	NA	MeJP	NA	NA
+MJ094179	20(29)-Lupene-3,7,15-triol, 3-Docosanoyl 	C52H92O4	780.699561	NA	MeJP	NA	NA
+MJ094180	9-[(8,10,26-Heptacosatrien-7-yl)oxy]-7,26-heptacosadien-10-ol 	C54H100O2	780.772332	NA	MeJP	NA	NA
+2639	synthetic fr, of human beta-CN (40-52) ACE inhibitor	IYPSFQPQPLIYP	780.901	MH2+	Inhouse_peptide	NA	peptide
+5451	caeridin 4	GLLDVVGNVLHSLGLG	780.9339	MH2+	Inhouse_peptide	NA	peptide
+PJ033665	GCCCCMY 	C28H43N7O9S5	781.1726	NA	PeJP	NA	NA
+PJ033666	SCCCDDH 	C26H39N9O13S3	781.183	NA	PeJP	NA	NA
+PJ033667	PCCDDDD 	C27H39N7O16S2	781.1895	NA	PeJP	NA	NA
+PJ033668	STCCCCY 	C28H43N7O11S4	781.1904	NA	PeJP	NA	NA
+PJ033669	GCCCEMH 	C27H43N9O10S4	781.2016	NA	PeJP	NA	NA
+PJ033670	GCCCCFF 	C32H43N7O8S4	781.2056	NA	PeJP	NA	NA
+PJ033671	GDDDDDM 	C27H39N7O18S	781.2073	NA	PeJP	NA	NA
+PJ033672	CCCMHW 	C31H43N9O7S4	781.2169	NA	PeJP	NA	NA
+PJ033673	SCNNDDD 	C26H39N9O17S	781.2185	NA	PeJP	NA	NA
+PJ033674	SSCCDMH 	C27H43N9O12S3	781.2194	NA	PeJP	NA	NA
+PJ033675	CDDDEW 	C31H39N7O15S	781.2225	NA	PeJP	NA	NA
+PJ033676	CCCQYY 	C32H43N7O10S3	781.2234	NA	PeJP	NA	NA
+PJ033677	SSDDDDE 	C27H39N7O20	781.225	NA	PeJP	NA	NA
+PJ033678	SPCDDDM 	C28H43N7O15S2	781.2259	NA	PeJP	NA	NA
+PJ033679	PPCCCEM 	C29H47N7O10S4	781.2268	NA	PeJP	NA	NA
+PJ033680	GPCCCNW 	C31H43N9O9S3	781.2346	NA	PeJP	NA	NA
+PJ033681	GCNNDEM 	C27H43N9O14S2	781.2371	NA	PeJP	NA	NA
+PJ033682	GTCCMMH 	C28H47N9O9S4	781.238	NA	PeJP	NA	NA
+PJ033683	GSSCCYY 	C32H43N7O12S2	781.2411	NA	PeJP	NA	NA
+PJ033684	GTDDDEM 	C28H43N7O17S	781.2436	NA	PeJP	NA	NA
+PJ033685	GSDDEEM 	C28H43N7O17S	781.2437	NA	PeJP	NA	NA
+PJ033686	GPCDEMM 	C29H47N7O12S3	781.2445	NA	PeJP	NA	NA
+PJ033687	SCCNNNQ 	C26H43N11O13S2	781.2483	NA	PeJP	NA	NA
+PJ033688	GCCNDDR 	C26H43N11O13S2	781.2484	NA	PeJP	NA	NA
+PJ033689	CNNDMW 	C31H43N9O11S2	781.2524	NA	PeJP	NA	NA
+PJ033690	SSNNDDM 	C27H43N9O16S	781.2549	NA	PeJP	NA	NA
+PJ033691	SSSCMMH 	C28H47N9O11S3	781.2557	NA	PeJP	NA	NA
+PJ033692	GGSPCCQM 	C28H47N9O11S3	781.2558	NA	PeJP	NA	NA
+PJ033693	SDDEMW 	C32H43N7O14S	781.2589	NA	PeJP	NA	NA
+PJ033694	PCDMMW 	C33H47N7O9S3	781.2598	NA	PeJP	NA	NA
+PJ033695	SSSDEEE 	C28H43N7O19	781.2614	NA	PeJP	NA	NA
+PJ033696	NEEEMM 	C29H47N7O14S2	781.2623	NA	PeJP	NA	NA
+PJ033697	GSDDDHH 	C29H39N11O15	781.2628	NA	PeJP	NA	NA
+PJ033698	PPTCCMM 	C30H51N7O9S4	781.2631	NA	PeJP	NA	NA
+PJ033699	GPCCEHH 	C30H43N11O10S2	781.2636	NA	PeJP	NA	NA
+PJ033700	GSSSCNNN 	C26H43N11O15S	781.2661	NA	PeJP	NA	NA
+PJ033701	SPCCCNR 	C27H47N11O10S3	781.267	NA	PeJP	NA	NA
+PJ033702	GCCQWW 	C35H43N9O8S2	781.2676	NA	PeJP	NA	NA
+MJ094181	Antibiotic FCE 21424 	C38H43N3O15	781.269417	NA	MeJP	NA	NA
+PJ033703	GSSCNEW 	C31H43N9O13S	781.2701	NA	PeJP	NA	NA
+PJ033704	GGGGGPCDY 	C31H43N9O13S	781.2702	NA	PeJP	NA	NA
+PJ033705	CNMMHF 	C32H47N9O8S3	781.271	NA	PeJP	NA	NA
+PJ033706	GSSSSNDE 	C27H43N9O18	781.2726	NA	PeJP	NA	NA
+PJ033707	DDDMMR 	C28H47N9O13S2	781.2735	NA	PeJP	NA	NA
+PJ033708	GCNYYY 	C36H43N7O11S	781.2741	NA	PeJP	NA	NA
+PJ033709	PCDDFW 	C36H43N7O11S	781.2742	NA	PeJP	NA	NA
+PJ033710	GSPDDEY 	C32H43N7O16	781.2767	NA	PeJP	NA	NA
+PJ033711	GEEMMW 	C33H47N7O11S2	781.2775	NA	PeJP	NA	NA
+PJ033712	PCCHHW 	C34H43N11O7S2	781.2789	NA	PeJP	NA	NA
+PJ033713	GSTEEEM 	C29H47N7O16S	781.28	NA	PeJP	NA	NA
+PJ033714	GSPEMMM 	C30H51N7O11S3	781.2809	NA	PeJP	NA	NA
+PJ033715	GCNNNNF 	C30H43N11O12S	781.2814	NA	PeJP	NA	NA
+MJ094182	17-Hydroxydihydromyrsinol; 3,7,14-Tris(3-pyridinecarbonyl), 5,15-di-Ac 	C42H43N3O12	781.284673	NA	MeJP	NA	NA
+PJ033716	GSCNDMR 	C27H47N11O12S2	781.2847	NA	PeJP	NA	NA
+PJ033717	GGGSCDMR 	C27H47N11O12S2	781.2848	NA	PeJP	NA	NA
+PJ033718	SSCNWW 	C35H43N9O10S	781.2854	NA	PeJP	NA	NA
+PJ033719	SSSSNDW 	C31H43N9O15	781.2879	NA	PeJP	NA	NA
+PJ033720	SCQQMW 	C32H47N9O10S2	781.2887	NA	PeJP	NA	NA
+PJ033721	SNNMMW 	C32H47N9O10S2	781.2888	NA	PeJP	NA	NA
+PJ033722	SSSNQEM 	C28H47N9O15S	781.2913	NA	PeJP	NA	NA
+PJ033723	SPDDYW 	C36H43N7O13	781.2919	NA	PeJP	NA	NA
+PJ033724	NQQMMM 	C29H51N9O10S3	781.2921	NA	PeJP	NA	NA
+PJ033725	GGGGAAMMM 	C29H51N9O10S3	781.2922	NA	PeJP	NA	NA
+PJ033726	CDDHHR 	C29H43N13O11S	781.2926	NA	PeJP	NA	NA
+PJ033727	EMMWW 	C37H47N7O8S2	781.2928	NA	PeJP	NA	NA
+PJ033728	STEEMW 	C33H47N7O13S	781.2953	NA	PeJP	NA	NA
+PJ033729	SPMMMW 	C34H51N7O8S3	781.2961	NA	PeJP	NA	NA
+PJ033730	GPPCMMF 	C34H51N7O8S3	781.2962	NA	PeJP	NA	NA
+PJ033731	GDMHHW 	C34H43N11O9S	781.2966	NA	PeJP	NA	NA
+PJ033732	SSTTEEE 	C29H47N7O18	781.2978	NA	PeJP	NA	NA
+PJ033733	SSPTEMM 	C30H51N7O13S2	781.2986	NA	PeJP	NA	NA
+PJ033734	DKEEMM 	C30H51N7O13S2	781.2987	NA	PeJP	NA	NA
+PJ033735	GSNNNNY 	C30H43N11O14	781.2991	NA	PeJP	NA	NA
+PJ033736	GGGGGGGGGSY 	C30H43N11O14	781.2992	NA	PeJP	NA	NA
+PJ033737	AAPMMMM 	C31H55N7O8S4	781.2995	NA	PeJP	NA	NA
+PJ033738	SCCQRW 	C31H47N11O9S2	781.3	NA	PeJP	NA	NA
+PJ033739	SSSCNER 	C27H47N11O14S	781.3025	NA	PeJP	NA	NA
+PJ033740	GNNEYW 	C35H43N9O12	781.3031	NA	PeJP	NA	NA
+PJ033741	GGGNEYW 	C35H43N9O12	781.3032	NA	PeJP	NA	NA
+PJ033742	CNQMMR 	C28H51N11O9S3	781.3034	NA	PeJP	NA	NA
+PJ033743	GCCKWW 	C36H47N9O7S2	781.304	NA	PeJP	NA	NA
+PJ033744	GSSSQMW 	C32H47N9O12S	781.3065	NA	PeJP	NA	NA
+PJ033745	DEFWW 	C40H43N7O10	781.3072	NA	PeJP	NA	NA
+PJ033746	GSSSSTQE 	C28H47N9O17	781.309	NA	PeJP	NA	NA
+PJ033747	SEEMMR 	C29H51N9O12S2	781.3099	NA	PeJP	NA	NA
+PJ033748	SSSNNHH 	C29H43N13O13	781.3104	NA	PeJP	NA	NA
+PJ033749	GPEMYW 	C37H47N7O10S	781.3105	NA	PeJP	NA	NA
+PJ033750	VNEEEY 	C33H47N7O15	781.313	NA	PeJP	NA	NA
+PJ033751	GGVEEEY 	C33H47N7O15	781.3131	NA	PeJP	NA	NA
+PJ033752	SVEMMW 	C34H51N7O10S2	781.3139	NA	PeJP	NA	NA
+PJ033753	SSEHHW 	C34H43N11O11	781.3144	NA	PeJP	NA	NA
+PJ033754	CCNMRR 	C27H51N13O8S3	781.3146	NA	PeJP	NA	NA
+PJ033755	SSSLEEM 	C30H51N7O15S	781.3164	NA	PeJP	NA	NA
+PJ033756	LQEMMM 	C31H55N7O10S3	781.3173	NA	PeJP	NA	NA
+PJ033757	GSSSCRW 	C31H47N11O11S	781.3177	NA	PeJP	NA	NA
+PJ033758	GGCNEFR 	C31H47N11O11S	781.3178	NA	PeJP	NA	NA
+PJ033759	NNYWW 	C39H43N9O9	781.3184	NA	PeJP	NA	NA
+PJ033760	GSSSSSDR 	C27H47N11O16	781.3203	NA	PeJP	NA	NA
+PJ033761	GSSNMMR 	C28H51N11O11S2	781.3211	NA	PeJP	NA	NA
+PJ033762	GNQMFW 	C36H47N9O9S	781.3218	NA	PeJP	NA	NA
+PJ033763	SSSSTQW 	C32H47N9O14	781.3243	NA	PeJP	NA	NA
+PJ033764	SCQKMW 	C33H51N9O9S2	781.3251	NA	PeJP	NA	NA
+PJ033765	GGTCKMW 	C33H51N9O9S2	781.3252	NA	PeJP	NA	NA
+PJ033766	NNNHHF 	C33H43N13O10	781.3256	NA	PeJP	NA	NA
+PJ033767	PMYWW 	C41H47N7O7S	781.3258	NA	PeJP	NA	NA
+PJ033768	SSSNKEM 	C29H51N9O14S	781.3276	NA	PeJP	NA	NA
+PJ033769	GGSSTDKM 	C29H51N9O14S	781.3277	NA	PeJP	NA	NA
+PJ033770	GVEEYW 	C37H47N7O12	781.3283	NA	PeJP	NA	NA
+PJ033771	VDMMMR 	C30H55N9O9S3	781.3285	NA	PeJP	NA	NA
+PJ033772	SDMHHR 	C30H47N13O10S	781.329	NA	PeJP	NA	NA
+PJ033773	APMMFW 	C38H51N7O7S2	781.3292	NA	PeJP	NA	NA
+PJ033774	PDKEMY 	C34H51N7O12S	781.3317	NA	PeJP	NA	NA
+PJ033775	GSTCCRR 	C27H51N13O10S2	781.3324	NA	PeJP	NA	NA
+PJ033776	ALMMMW 	C35H55N7O7S3	781.3325	NA	PeJP	NA	NA
+PJ033777	GCNFRW 	C35H47N11O8S	781.333	NA	PeJP	NA	NA
+PJ033778	TTTTTEE 	C30H51N7O17	781.3342	NA	PeJP	NA	NA
+PJ033779	GTTLEMM 	C31H55N7O12S2	781.335	NA	PeJP	NA	NA
+PJ033780	SNNERY 	C31H47N11O13	781.3355	NA	PeJP	NA	NA
+PJ033781	SCCKRW 	C32H51N11O8S2	781.3364	NA	PeJP	NA	NA
+PJ033782	SQHHHH 	C32H43N15O9	781.3369	NA	PeJP	NA	NA
+PJ033783	SSSSQMR 	C28H51N11O13S	781.3389	NA	PeJP	NA	NA
+PJ033784	EERYW 	C36H47N9O11	781.3395	NA	PeJP	NA	NA
+PJ033785	GGGPPPDW 	C36H47N9O11	781.3396	NA	PeJP	NA	NA
+PJ033786	CNKMMR 	C29H55N11O8S3	781.3398	NA	PeJP	NA	NA
+7688	ACE inhibitor from ovalbumin	FGRCVSP	781.342	antioxidative	Inhouse_peptide	NA	peptide
+PJ033787	GSSSKMW 	C33H51N9O11S	781.3429	NA	PeJP	NA	NA
+PJ033788	LDYWW 	C41H47N7O9	781.3435	NA	PeJP	NA	NA
+PJ033789	VEYWW 	C41H47N7O9	781.3436	NA	PeJP	NA	NA
+PJ033790	GSSSSTKE 	C29H51N9O16	781.3454	NA	PeJP	NA	NA
+PJ033791	GSTQKMM 	C30H55N9O11S2	781.3463	NA	PeJP	NA	NA
+PJ033792	GSPNDHR 	C30H47N13O12	781.3467	NA	PeJP	NA	NA
+PJ033793	GGGSPDHR 	C30H47N13O12	781.3468	NA	PeJP	NA	NA
+PJ033794	SPVMYW 	C38H51N7O9S	781.3469	NA	PeJP	NA	NA
+PJ033795	AMMHHR 	C31H51N13O7S2	781.3476	NA	PeJP	NA	NA
+PJ033796	VDKEEY 	C34H51N7O14	781.3494	NA	PeJP	NA	NA
+PJ033797	SSSSCRR 	C27H51N13O12S	781.3501	NA	PeJP	NA	NA
+PJ033798	TTLMMW 	C35H55N7O9S2	781.3503	NA	PeJP	NA	NA
+PJ033799	GSNRYW 	C35H47N11O10	781.3508	NA	PeJP	NA	NA
+PJ033800	STTTLEM 	C31H55N7O14S	781.3528	NA	PeJP	NA	NA
+PJ033801	LKEMMM 	C32H59N7O9S3	781.3537	NA	PeJP	NA	NA
+PJ033802	GQQMRY 	C32H51N11O10S	781.3541	NA	PeJP	NA	NA
+PJ033803	GGGAAMRY 	C32H51N11O10S	781.3542	NA	PeJP	NA	NA
+PJ033804	GQHFFF 	C40H47N9O8	781.3548	NA	PeJP	NA	NA
+PJ033805	GSSSSTTR 	C28H51N11O15	781.3566	NA	PeJP	NA	NA
+PJ033806	GSTCKMR 	C29H55N11O10S2	781.3575	NA	PeJP	NA	NA
+PJ033807	NNNQHR 	C29H47N15O11	781.358	NA	PeJP	NA	NA
+PJ033808	GNKMFW 	C37H51N9O8S	781.3582	NA	PeJP	NA	NA
+PJ033809	PFFWW 	C45H47N7O6	781.3588	NA	PeJP	NA	NA
+PJ033810	SSSSTKW 	C33H51N9O13	781.3606	NA	PeJP	NA	NA
+PJ033811	SVEERY 	C33H51N9O13	781.3607	NA	PeJP	NA	NA
+PJ033812	SCKKMW 	C34H55N9O8S2	781.3615	NA	PeJP	NA	NA
+PJ033813	GEHHFR 	C34H47N13O9	781.362	NA	PeJP	NA	NA
+PJ033814	LMFWW 	C42H51N7O6S	781.3622	NA	PeJP	NA	NA
+PJ033815	SSSDKKM 	C30H55N9O13S	781.364	NA	PeJP	NA	NA
+PJ033816	ATLEYW 	C38H51N7O11	781.3647	NA	PeJP	NA	NA
+PJ033817	TLMMMR 	C31H59N9O8S3	781.3649	NA	PeJP	NA	NA
+PJ033818	GCQRRY 	C31H51N13O9S	781.3654	NA	PeJP	NA	NA
+PJ033819	GVHHFW 	C39H47N11O7	781.366	NA	PeJP	NA	NA
+PJ033820	GPTTLMY 	C35H55N7O11S	781.368	NA	PeJP	NA	NA
+PJ033821	VLQEMY 	C35H55N7O11S	781.3681	NA	PeJP	NA	NA
+PJ033822	SSTLLMM 	C32H59N7O11S2	781.3714	NA	PeJP	NA	NA
+PJ033823	SNDKRY 	C32H51N11O12	781.3719	NA	PeJP	NA	NA
+PJ033824	VKMMHH 	C33H55N11O7S2	781.3728	NA	PeJP	NA	NA
+PJ033825	SKHHHH 	C33H47N15O8	781.3732	NA	PeJP	NA	NA
+PJ033826	SSSSKMR 	C29H55N11O12S	781.3753	NA	PeJP	NA	NA
+PJ033827	GTQKYW 	C37H51N9O10	781.3759	NA	PeJP	NA	NA
+PJ033828	PCNHRR 	C30H51N15O8S	781.3766	NA	PeJP	NA	NA
+PJ033829	HHFRW 	C38H47N13O6	781.3773	NA	PeJP	NA	NA
+PJ033830	ALEMRY 	C34H55N9O10S	781.3793	NA	PeJP	NA	NA
+PJ033831	GPLFYW 	C42H51N7O8	781.3799	NA	PeJP	NA	NA
+PJ033832	GAPPFFF 	C42H51N7O8	781.38	NA	PeJP	NA	NA
+PJ033833	SSSSSSLK 	C30H55N9O15	781.3818	NA	PeJP	NA	NA
+PJ033834	GSTKKMM 	C31H59N9O10S2	781.3827	NA	PeJP	NA	NA
+PJ033835	SSNRRY 	C31H51N13O11	781.3831	NA	PeJP	NA	NA
+PJ033836	GGGGLEHR 	C31H51N13O11	781.3832	NA	PeJP	NA	NA
+PJ033837	GLLMYW 	C39H55N7O8S	781.3833	NA	PeJP	NA	NA
+PJ033838	TLKEEY 	C35H55N7O13	781.3858	NA	PeJP	NA	NA
+PJ033839	PLKMMY 	C36H59N7O8S2	781.3867	NA	PeJP	NA	NA
+PJ033840	SPQKHW 	C36H51N11O9	781.3871	NA	PeJP	NA	NA
+PJ033841	PTNKHW 	C36H51N11O9	781.3872	NA	PeJP	NA	NA
+MJ094183	Eurocidin C 	C39H59NO15	781.38847	NA	MeJP	NA	NA
+PJ033842	GQKMRY 	C33H55N11O9S	781.3905	NA	PeJP	NA	NA
+PJ033843	PPVHFW 	C41H51N9O7	781.3912	NA	PeJP	NA	NA
+PJ033844	GQEHRR 	C30H51N15O10	781.3944	NA	PeJP	NA	NA
+PJ033845	ACKKFW 	C38H55N9O7S	781.3946	NA	PeJP	NA	NA
+PJ033846	TTLERY 	C34H55N9O12	781.397	NA	PeJP	NA	NA
+PJ033847	GGGSTLKY 	C34H55N9O12	781.3971	NA	PeJP	NA	NA
+PJ033848	VVMMFR 	C35H59N9O7S2	781.3979	NA	PeJP	NA	NA
+PJ033849	GVQHRW 	C35H51N13O8	781.3984	NA	PeJP	NA	NA
+PJ033850	SSTTKKM 	C31H59N9O12S	781.4004	NA	PeJP	NA	NA
+PJ033851	STLLYW 	C39H55N7O10	781.4011	NA	PeJP	NA	NA
+PJ033852	GCKRRY 	C32H55N13O8S	781.4018	NA	PeJP	NA	NA
+PJ033853	VLKEMY 	C36H59N7O10S	781.4044	NA	PeJP	NA	NA
+PJ033854	PPPVLEM 	C36H59N7O10S	781.4045	NA	PeJP	NA	NA
+PJ033855	STQKRY 	C33H55N11O11	781.4083	NA	PeJP	NA	NA
+PJ033856	QHRRW 	C34H51N15O7	781.4096	NA	PeJP	NA	NA
+PJ033857	GTKKYW 	C38H55N9O9	781.4123	NA	PeJP	NA	NA
+PJ033858	SLLMRY 	C35H59N9O9S	781.4157	NA	PeJP	NA	NA
+PJ033859	GLLFFW 	C43H55N7O7	781.4163	NA	PeJP	NA	NA
+PJ033860	PPQERR 	C32H55N13O10	781.4195	NA	PeJP	NA	NA
+PJ033861	PLKMFF 	C40H59N7O7S	781.4197	NA	PeJP	NA	NA
+PJ033862	SSSLLLY 	C36H59N7O12	781.4222	NA	PeJP	NA	NA
+PJ033863	LLKMMF 	C37H63N7O7S2	781.4231	NA	PeJP	NA	NA
+PJ033864	PPVQRW 	C37H55N11O8	781.4235	NA	PeJP	NA	NA
+PJ033865	GGPPLRW 	C37H55N11O8	781.4236	NA	PeJP	NA	NA
+PJ033866	GKKMRY 	C34H59N11O8S	781.4269	NA	PeJP	NA	NA
+PJ033867	GKEHRR 	C31H55N15O9	781.4308	NA	PeJP	NA	NA
+PJ033868	SKKKEY 	C35H59N9O11	781.4334	NA	PeJP	NA	NA
+PJ033869	GAAPPLKE 	C35H59N9O11	781.4335	NA	PeJP	NA	NA
+PJ033870	APPRRW 	C36H55N13O7	781.4348	NA	PeJP	NA	NA
+PJ033871	VLLQFY 	C40H59N7O9	781.4374	NA	PeJP	NA	NA
+PJ033872	PVLKYY 	C40H59N7O9	781.4375	NA	PeJP	NA	NA
+PJ033873	GTHRRR 	C30H55N17O8	781.442	NA	PeJP	NA	NA
+PJ033874	STKKRY 	C34H59N11O10	781.4447	NA	PeJP	NA	NA
+PJ033875	KHRRW 	C35H55N15O6	781.446	NA	PeJP	NA	NA
+MJ094184	Cyclogossin B 	C39H59N9O8	781.448659	NA	MeJP	NA	NA
+PJ033876	TLLLHW 	C39H59N9O8	781.4487	NA	PeJP	NA	NA
+PJ033877	CLKKKY 	C36H63N9O8S	781.4521	NA	PeJP	NA	NA
+PJ033878	PPKERR 	C33H59N13O9	781.4559	NA	PeJP	NA	NA
+PJ033879	PPTLLLE 	C37H63N7O11	781.4586	NA	PeJP	NA	NA
+PJ033880	PPVKRW 	C38H59N11O7	781.4599	NA	PeJP	NA	NA
+MJ094185	Tetrafibricin 	C41H67NO13	781.461241	NA	MeJP	NA	NA
+PJ033881	LLLMHR 	C35H63N11O7S	781.4633	NA	PeJP	NA	NA
+PJ033882	PPTRRR 	C32H59N15O8	781.4671	NA	PeJP	NA	NA
+PJ033883	SSLLLLH 	C36H63N9O10	781.4698	NA	PeJP	NA	NA
+PJ033884	VLLKFY 	C41H63N7O8	781.4738	NA	PeJP	NA	NA
+PJ033885	PPPVLLF 	C41H63N7O8	781.4739	NA	PeJP	NA	NA
+PJ033886	PPVLLLM 	C38H67N7O8S	781.4772	NA	PeJP	NA	NA
+PJ033887	APPTLKR 	C35H63N11O9	781.4811	NA	PeJP	NA	NA
+HMDB12372	PS(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C42H72NO10P	781.48938	NA	HMDB2010	NA	NA
+HMDB12403	PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	C42H72NO10P	781.48938	NA	HMDB2010	NA	NA
+HMDB12413	PS(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	C42H72NO10P	781.48938	NA	HMDB2010	NA	NA
+HMDB12432	PS(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))	C42H72NO10P	781.48938	NA	HMDB2010	NA	NA
+PJ033888	PLLQRR 	C34H63N13O8	781.4923	NA	PeJP	NA	NA
+PJ033889	PVVLLLE 	C38H67N7O10	781.495	NA	PeJP	NA	NA
+PJ033890	PVVRRR 	C33H63N15O7	781.5035	NA	PeJP	NA	NA
+PJ033891	SPPLLKK 	C37H67N9O9	781.5062	NA	PeJP	NA	NA
+PJ033892	GPVLLKR 	C36H67N11O8	781.5174	NA	PeJP	NA	NA
+PJ033893	PLLKRR 	C35H67N13O7	781.5287	NA	PeJP	NA	NA
+PJ033894	PTLLLLL 	C39H71N7O9	781.5314	NA	PeJP	NA	NA
+PJ033895	APLLLKK 	C38H71N9O8	781.5426	NA	PeJP	NA	NA
+EUR940	PC 34:1 [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1030	16:0-18:1 PC [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR940	PC 34:1 [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1030	16:0-18:1 PC [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR940	PC 34:1 [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1030	16:0-18:1 PC [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR940	PC 34:1 [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1030	16:0-18:1 PC [M+Na]+	C42H82NO8P	781.559753	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07889	PC(14:0/22:4(7Z,10Z,13Z,16Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB07982	PC(16:0/20:4(5Z,8Z,11Z,14Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB07983	PC(16:0/20:4(8Z,11Z,14Z,17Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08013	PC(16:1(9Z)/20:3(5Z,8Z,11Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08014	PC(16:1(9Z)/20:3(8Z,11Z,14Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08042	PC(18:0/18:4(6Z,9Z,12Z,15Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08073	PC(18:1(11Z)/18:3(6Z,9Z,12Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08074	PC(18:1(11Z)/18:3(9Z,12Z,15Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08106	PC(18:1(9Z)/18:3(6Z,9Z,12Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08107	PC(18:1(9Z)/18:3(9Z,12Z,15Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08138	PC(18:2(9Z,12Z)/18:2(9Z,12Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08169	PC(18:3(6Z,9Z,12Z)/18:1(11Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08170	PC(18:3(6Z,9Z,12Z)/18:1(9Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08202	PC(18:3(9Z,12Z,15Z)/18:1(11Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08203	PC(18:3(9Z,12Z,15Z)/18:1(9Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08234	PC(18:4(6Z,9Z,12Z,15Z)/18:0)	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08365	PC(20:3(5Z,8Z,11Z)/16:1(9Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08398	PC(20:3(8Z,11Z,14Z)/16:1(9Z))	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08429	PC(20:4(5Z,8Z,11Z,14Z)/16:0)	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08462	PC(20:4(8Z,11Z,14Z,17Z)/16:0)	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+HMDB08623	PC(22:4(7Z,10Z,13Z,16Z)/14:0)	C44H80NO8P	781.562134	NA	HMDB2010	NA	NA
+EUR689	PC(36:4) monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR974	PC 36:4 monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR689	PC(36:4) monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR974	PC 36:4 monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR689	PC(36:4) monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR974	PC 36:4 monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR689	PC(36:4) monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	Inhousejuil11	NA	NA
+EUR974	PC 36:4 monoisotopic mass 	C44H80NO8P	781.562157	masses lipides attendues	Inhousejuil11	NA	NA
+PJ033896	VVLLLLL 	C40H75N7O8	781.5677	NA	PeJP	NA	NA
+HMDB09578	PE(22:2(13Z,16Z)/P-18:1(11Z))	C45H84NO7P	781.598511	NA	HMDB2010	NA	NA
+HMDB09579	PE(22:2(13Z,16Z)/P-18:1(9Z))	C45H84NO7P	781.598511	NA	HMDB2010	NA	NA
+HMDB11423	PE(P-18:1(11Z)/22:2(13Z,16Z))	C45H84NO7P	781.598511	NA	HMDB2010	NA	NA
+HMDB11456	PE(P-18:1(9Z)/22:2(13Z,16Z))	C45H84NO7P	781.598511	NA	HMDB2010	NA	NA
+MJ094186	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyeicosanoyl), 1-O-?-D-glucopyranoside 	C45H83NO9	781.606783	NA	MeJP	NA	NA
+MJ094187	Stibocaptate 	C12H12O12S6Sb2	781.672936	NA	MeJP	NA	NA
+3036	insulin secretion inhibitor	YNVEHAVDYVERA	781.8584	MH2+	Inhouse_peptide	NA	peptide
+MJ094188	Emblicanin A 	C34H22O22	782.060272	NA	MeJP	NA	NA
+MJ094189	Isoterchebulin; 2,3-De-O-(hexahydroxydiphenoyl) 	C34H22O22	782.060272	NA	MeJP	NA	NA
+MJ094190	Punicalin 	C34H22O22	782.060272	NA	MeJP	NA	NA
+MJ094191	3,3',4',5,7-Pentahydroxyflavylium(1+); 3,5-Bis-O-(O-malonyl-?-D-glucopyranoside) 	C33H35O22(+)	782.154172	NA	MeJP	NA	NA
+PJ033897	SCCCCQH 	C26H42N10O10S4	782.1968	NA	PeJP	NA	NA
+PJ033898	GGTCCCCH 	C26H42N10O10S4	782.1969	NA	PeJP	NA	NA
+MJ094192	Diazonamide B; Debromo, N2-(2-amino-3-methylbutanoyl) 	C40H36Cl2N6O7	782.202252	NA	MeJP	NA	NA
+PJ033899	SCNDDDD 	C26H38N8O18S	782.2025	NA	PeJP	NA	NA
+PJ033900	PCCCNDE 	C27H42N8O13S3	782.2034	NA	PeJP	NA	NA
+MJ094193	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-[6-O-acetyl-?-D-glucopyranoside] 	C38H39O18(+)	782.205814	NA	MeJP	NA	NA
+PJ033901	CCCEYY 	C32H42N6O11S3	782.2074	NA	PeJP	NA	NA
+PJ033902	GSSSCCCH 	C26H42N10O12S3	782.2146	NA	PeJP	NA	NA
+PJ033903	GPCCCDW 	C31H42N8O10S3	782.2186	NA	PeJP	NA	NA
+PJ033904	GCNDDEM 	C27H42N8O15S2	782.2211	NA	PeJP	NA	NA
+PJ033905	GGGCDDEM 	C27H42N8O15S2	782.2212	NA	PeJP	NA	NA
+PJ033906	GPPTCCCC 	C28H46N8O10S4	782.222	NA	PeJP	NA	NA
+FL5FAAGA0040	Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside	C35H42O20	782.22694	154623-30-0	knapsack	NA	NA
+FL5FAAGA0041	Kaempferol 3-rhamnosyl-(1->4)(3'''-acetylrhamnosyl)(1->6)-galactoside	C35H42O20	782.22694	128308-96-3	knapsack	NA	NA
+FL5FAAGA0042	Kaempferol 3-rhamnosyl-(1->2)(6''-acetylgalactoside)-7-rhamnoside	C35H42O20	782.22694	124027-50-5	knapsack	NA	NA
+FL5FAAGS0125	Kaempferol 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-glucoside;3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one	C35H42O20	782.22694	312731-17-2	knapsack	NA	NA
+FL5FAAGS0127	Kaempferol 3-[2Gal-(4'''-acetylrhamnosyl)-robinobioside];3-[(O-4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C35H42O20	782.22694	263368-71-4	knapsack	NA	NA
+MJ094194	Loganic acid; 7-O-[2,3-Dihydroxybenzoyl-(?6)-?-D-glucopyranoside], 2,3-dihydroxyphenyl ester 	C35H42O20	782.226943	NA	MeJP	NA	NA
+MJ094195	Sweroside; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac 	C35H42O20	782.226943	NA	MeJP	NA	NA
+MJ094196	Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl] 	C35H42O20	782.226943	NA	MeJP	NA	NA
+MJ094197	Trifolin; 6''-O-[?-L-Rhamnopyranosyl-(1?4)-3-O-acetyl-?-L-rhamnopyranosyl] 	C35H42O20	782.226943	NA	MeJP	NA	NA
+MJ094198	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] 	C35H42O20	782.226943	NA	MeJP	NA	NA
+PJ033907	GCCCNHF 	C30H42N10O9S3	782.2299	NA	PeJP	NA	NA
+PJ033908	GCCDDDR 	C26H42N10O14S2	782.2324	NA	PeJP	NA	NA
+PJ033909	SCCCCKH 	C27H46N10O9S4	782.2332	NA	PeJP	NA	NA
+PJ033910	CNDDMW 	C31H42N8O12S2	782.2364	NA	PeJP	NA	NA
+PJ033911	SSNDDDM 	C27H42N8O17S	782.2389	NA	PeJP	NA	NA
+PJ033912	SPCCNEM 	C28H46N8O12S3	782.2398	NA	PeJP	NA	NA
+PJ033913	CMMMMH 	C29H50N8O7S5	782.2406	NA	PeJP	NA	NA
+PJ033914	TCCMYY 	C33H46N6O10S3	782.2438	NA	PeJP	NA	NA
+PJ033915	DEEEMM 	C29H46N6O15S2	782.2463	NA	PeJP	NA	NA
+PJ033916	GSCCNNW 	C30H42N10O11S2	782.2476	NA	PeJP	NA	NA
+PJ033917	GSSSCNND 	C26H42N10O16S	782.2501	NA	PeJP	NA	NA
+PJ033918	SPCCCDR 	C27H46N10O11S3	782.251	NA	PeJP	NA	NA
+PJ033919	ACCDWW 	C35H42N8O9S2	782.2516	NA	PeJP	NA	NA
+PJ033920	GCCEWW 	C35H42N8O9S2	782.2517	NA	PeJP	NA	NA
+PJ033921	ASSCDDW 	C31H42N8O14S	782.2541	NA	PeJP	NA	NA
+PJ033922	GSSCDEW 	C31H42N8O14S	782.2542	NA	PeJP	NA	NA
+PJ033923	GSPCCMW 	C32H46N8O9S3	782.255	NA	PeJP	NA	NA
+PJ033924	ASSSSDDD 	C27H42N8O19	782.2566	NA	PeJP	NA	NA
+PJ033925	GSSSSDDE 	C27H42N8O19	782.2567	NA	PeJP	NA	NA
+PJ033926	GSNDEMM 	C28H46N8O14S2	782.2575	NA	PeJP	NA	NA
+PJ033927	GCDYYY 	C36H42N6O12S	782.2582	NA	PeJP	NA	NA
+PJ033928	GPCNMMM 	C29H50N8O9S4	782.2584	NA	PeJP	NA	NA
+PJ033929	DDEEEF 	C32H42N6O17	782.2607	NA	PeJP	NA	NA
+PJ033930	GCCCNQR 	C26H46N12O10S3	782.2622	NA	PeJP	NA	NA
+PJ033931	GGGGACCCR 	C26H46N12O10S3	782.2623	NA	PeJP	NA	NA
+MJ094199	3-(4-Hydroxyphenyl)-2-propen-1-ol, 1-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C36H46O19	782.263329	NA	MeJP	NA	NA
+MJ094200	Sucrose; 3',6-Bis-O-(3,4,5-trimethoxycinnamoyl)(E,E-) 	C36H46O19	782.263329	NA	MeJP	NA	NA
+PJ033932	GCNNNDF 	C30H42N10O13S	782.2654	NA	PeJP	NA	NA
+PJ033933	CCWWW 	C39H42N8O6S2	782.2669	NA	PeJP	NA	NA
+PJ033934	SSCNNQM 	C27H46N10O13S2	782.2687	NA	PeJP	NA	NA
+PJ033935	GSCDDMR 	C27H46N10O13S2	782.2688	NA	PeJP	NA	NA
+PJ033936	SSCDWW 	C35H42N8O11S	782.2694	NA	PeJP	NA	NA
+PJ033937	APCCCMR 	C28H50N10O8S4	782.2696	NA	PeJP	NA	NA
+PJ033938	SSSSDDW 	C31H42N8O16	782.2719	NA	PeJP	NA	NA
+PJ033939	SNDMMW 	C32H46N8O11S2	782.2728	NA	PeJP	NA	NA
+PJ033940	CCHHHF 	C33H42N12O7S2	782.2741	NA	PeJP	NA	NA
+PJ033941	SSSNEEM 	C28H46N8O16S	782.2753	NA	PeJP	NA	NA
+PJ033942	NQEMMM 	C29H50N8O11S3	782.2761	NA	PeJP	NA	NA
+PJ033943	GGGAEMMM 	C29H50N8O11S3	782.2762	NA	PeJP	NA	NA
+PJ033944	GSCNEHH 	C29H42N12O12S	782.2766	NA	PeJP	NA	NA
+PJ033945	GCMFYY 	C37H46N6O9S2	782.2768	NA	PeJP	NA	NA
+MJ094201	Insuloside 	C40H46O16	782.278585	NA	MeJP	NA	NA
+PJ033946	PDEEMY 	C33H46N6O14S	782.2793	NA	PeJP	NA	NA
+PJ033947	SSCCNNR 	C26H46N12O12S2	782.28	NA	PeJP	NA	NA
+PJ033948	GSNNNDY 	C30H42N10O15	782.2831	NA	PeJP	NA	NA
+PJ033949	GGGGGSNDY 	C30H42N10O15	782.2832	NA	PeJP	NA	NA
+PJ033950	SCCERW 	C31H46N10O10S2	782.284	NA	PeJP	NA	NA
+PJ033951	SSSCDER 	C27H46N10O15S	782.2865	NA	PeJP	NA	NA
+PJ033952	GNDEYW 	C35H42N8O13	782.2872	NA	PeJP	NA	NA
+PJ033953	CNEMMR 	C28H50N10O10S3	782.2874	NA	PeJP	NA	NA
+PJ033954	GTCMWW 	C36H46N8O8S2	782.288	NA	PeJP	NA	NA
+PJ033955	GSSSEMW 	C32H46N8O13S	782.2905	NA	PeJP	NA	NA
+PJ033956	GGGGEEMF 	C32H46N8O13S	782.2906	NA	PeJP	NA	NA
+PJ033957	GQMMMW 	C33H50N8O8S3	782.2914	NA	PeJP	NA	NA
+PJ033958	SCNHHW 	C33H42N12O9S	782.2919	NA	PeJP	NA	NA
+PJ033959	GSSSSTEE 	C28H46N8O18	782.293	NA	PeJP	NA	NA
+PJ033960	GSTQEMM 	C29H50N8O13S2	782.2939	NA	PeJP	NA	NA
+PJ033961	SSSNDHH 	C29H42N12O14	782.2944	NA	PeJP	NA	NA
+PJ033962	GSMYYY 	C37H46N6O11S	782.2945	NA	PeJP	NA	NA
+PJ033963	APCCKMM 	C30H54N8O8S4	782.2948	NA	PeJP	NA	NA
+PJ033964	NNMMHH 	C30H46N12O9S2	782.2952	NA	PeJP	NA	NA
+PJ033965	GGNMMHH 	C30H46N12O9S2	782.2953	NA	PeJP	NA	NA
+PJ033966	VDEEEY 	C33H46N6O16	782.2971	NA	PeJP	NA	NA
+PJ033967	PEEMMF 	C34H50N6O11S2	782.2979	NA	PeJP	NA	NA
+PJ033968	PNDDHW 	C34H42N10O12	782.2984	NA	PeJP	NA	NA
+PJ033969	CCDMRR 	C27H50N12O9S3	782.2986	NA	PeJP	NA	NA
+MJ094202	Bruceosin; 15-Deacyl, 15-(4-Acetoxy-3-ethyl-4-methyl-2E-pentenoyl), 2-O-?-D-glucopyranoside 	C37H50O18	782.299714	NA	MeJP	NA	NA
+PJ033970	LEEMMM 	C31H54N6O11S3	782.3013	NA	PeJP	NA	NA
+PJ033971	NNNQMY 	C31H46N10O12S	782.3018	NA	PeJP	NA	NA
+PJ033972	NDYWW 	C39H42N8O10	782.3024	NA	PeJP	NA	NA
+PJ033973	GCMMRW 	C32H50N10O7S3	782.3026	NA	PeJP	NA	NA
+PJ033974	SSSSSSNQ 	C27H46N10O17	782.3042	NA	PeJP	NA	NA
+PJ033975	GGSSSSSSQ 	C27H46N10O17	782.3043	NA	PeJP	NA	NA
+PJ033976	GSSDMMR 	C28H50N10O12S2	782.3051	NA	PeJP	NA	NA
+PJ033977	GGGGSSCKM 	C28H50N10O12S2	782.3052	NA	PeJP	NA	NA
+PJ033978	GNNNNNH 	C28H42N14O13	782.3056	NA	PeJP	NA	NA
+PJ033979	GGGGGGGGGGGH 	C28H42N14O13	782.3057	NA	PeJP	NA	NA
+PJ033980	SSSMWW 	C36H46N8O10S	782.3058	NA	PeJP	NA	NA
+PJ033981	CCQHHR 	C29H46N14O8S2	782.3065	NA	PeJP	NA	NA
+PJ033982	SSSSTEW 	C32H46N8O15	782.3083	NA	PeJP	NA	NA
+PJ033983	STQMMW 	C33H50N8O10S2	782.3091	NA	PeJP	NA	NA
+PJ033984	TTNMMW 	C33H50N8O10S2	782.3092	NA	PeJP	NA	NA
+PJ033985	NNDHHF 	C33H42N12O11	782.3096	NA	PeJP	NA	NA
+PJ033986	GGGGDHHF 	C33H42N12O11	782.3097	NA	PeJP	NA	NA
+PJ033987	GCFFFY 	C41H46N6O8S	782.3098	NA	PeJP	NA	NA
+PJ033988	SSTTQEM 	C29H50N8O15S	782.3116	NA	PeJP	NA	NA
+PJ033989	SSSDKEM 	C29H50N8O15S	782.3117	NA	PeJP	NA	NA
+PJ033990	SSTYYY 	C37H46N6O13	782.3123	NA	PeJP	NA	NA
+PJ033991	NKEMMM 	C30H54N8O10S3	782.3125	NA	PeJP	NA	NA
+PJ033992	CNNNRY 	C30H46N12O11S	782.313	NA	PeJP	NA	NA
+PJ033993	VEEEMF 	C34H50N6O13S	782.3157	NA	PeJP	NA	NA
+PJ033994	GCDFRW 	C35H46N10O9S	782.317	NA	PeJP	NA	NA
+PJ033995	SNDERY 	C31H46N10O14	782.3195	NA	PeJP	NA	NA
+PJ033996	STCMRW 	C32H50N10O9S2	782.3204	NA	PeJP	NA	NA
+PJ033997	SEHHHH 	C32H42N14O10	782.3209	NA	PeJP	NA	NA
+PJ033998	NMFWW 	C40H46N8O7S	782.321	NA	PeJP	NA	NA
+PJ033999	GGMFWW 	C40H46N8O7S	782.3211	NA	PeJP	NA	NA
+PJ034000	SSSSEMR 	C28H50N10O14S	782.3229	NA	PeJP	NA	NA
+PJ034001	GTQEYW 	C36H46N8O12	782.3235	NA	PeJP	NA	NA
+PJ034002	GGATEYW 	C36H46N8O12	782.3236	NA	PeJP	NA	NA
+PJ034003	SQMMMR 	C29H54N10O9S3	782.3238	NA	PeJP	NA	NA
+PJ034004	GSSCHHR 	C29H46N14O10S	782.3242	NA	PeJP	NA	NA
+PJ034005	PCCKFW 	C37H50N8O7S2	782.3244	NA	PeJP	NA	NA
+PJ034006	GSTTTMW 	C33H50N8O12S	782.3269	NA	PeJP	NA	NA
+PJ034007	QFYYY 	C41H46N6O10	782.3276	NA	PeJP	NA	NA
+PJ034008	GKMMMW 	C34H54N8O7S3	782.3278	NA	PeJP	NA	NA
+PJ034009	SSSSSSLE 	C29H50N8O17	782.3294	NA	PeJP	NA	NA
+PJ034010	GSTKEMM 	C30H54N8O12S2	782.3303	NA	PeJP	NA	NA
+PJ034011	SSSTQHH 	C30H46N12O13	782.3307	NA	PeJP	NA	NA
+PJ034012	GSPDDHR 	C30H46N12O13	782.3308	NA	PeJP	NA	NA
+PJ034013	PPEMFY 	C38H50N6O10S	782.3309	NA	PeJP	NA	NA
+PJ034014	APPCCHR 	C31H50N12O8S2	782.3316	NA	PeJP	NA	NA
+PJ034015	TLEEEY 	C34H50N6O15	782.3334	NA	PeJP	NA	NA
+PJ034016	PLEMMY 	C35H54N6O10S2	782.3343	NA	PeJP	NA	NA
+PJ034017	GSDRYW 	C35H46N10O11	782.3348	NA	PeJP	NA	NA
+PJ034018	SCMMRR 	C28H54N12O8S3	782.335	NA	PeJP	NA	NA
+PJ034019	ANEMRY 	C32H50N10O11S	782.3381	NA	PeJP	NA	NA
+PJ034020	GQEMRY 	C32H50N10O11S	782.3382	NA	PeJP	NA	NA
+PJ034021	TQYWW 	C40H46N8O9	782.3388	NA	PeJP	NA	NA
+PJ034022	CLHHHH 	C33H46N14O7S	782.3395	NA	PeJP	NA	NA
+PJ034023	SSSSSSNK 	C28H50N10O16	782.3406	NA	PeJP	NA	NA
+PJ034024	GGSSSSSSK 	C28H50N10O16	782.3407	NA	PeJP	NA	NA
+PJ034025	GSTTMMR 	C29H54N10O11S2	782.3415	NA	PeJP	NA	NA
+PJ034026	NNNEHR 	C29H46N14O12	782.342	NA	PeJP	NA	NA
+PJ034027	GVQMYW 	C37H50N8O9S	782.3422	NA	PeJP	NA	NA
+PJ034028	CCKHHR 	C30H50N14O7S2	782.3429	NA	PeJP	NA	NA
+PJ034029	SSTTTTW 	C33H50N8O14	782.3447	NA	PeJP	NA	NA
+PJ034030	STKMMW 	C34H54N8O9S2	782.3455	NA	PeJP	NA	NA
+PJ034031	APVCCKY 	C34H54N8O9S2	782.3456	NA	PeJP	NA	NA
+PJ034032	GQQQHW 	C34H46N12O10	782.346	NA	PeJP	NA	NA
+PJ034033	SSTTKEM 	C30H54N8O14S	782.348	NA	PeJP	NA	NA
+PJ034034	PVEEFY 	C38H50N6O12	782.3487	NA	PeJP	NA	NA
+PJ034035	DKKMMM 	C31H58N8O9S3	782.3489	NA	PeJP	NA	NA
+PJ034036	GCERRY 	C31H50N12O10S	782.3494	NA	PeJP	NA	NA
+PJ034037	GPTHWW 	C39H46N10O8	782.35	NA	PeJP	NA	NA
+MJ094203	Zaragozic acid D3; 8-Me ester, 8',9'-dihydro 	C42H54O14	782.351356	NA	MeJP	NA	NA
+PJ034038	VLEEMY 	C35H54N6O12S	782.3521	NA	PeJP	NA	NA
+PJ034039	QMRYW 	C36H50N10O8S	782.3534	NA	PeJP	NA	NA
+PJ034040	HFFFW 	C44H46N8O6	782.3541	NA	PeJP	NA	NA
+PJ034041	STQERY 	C32H50N10O13	782.3559	NA	PeJP	NA	NA
+PJ034042	AQMMFR 	C33H54N10O8S2	782.3568	NA	PeJP	NA	NA
+PJ034043	GNNHRW 	C33H46N14O9	782.3573	NA	PeJP	NA	NA
+PJ034044	SSTTTMR 	C29H54N10O13S	782.3593	NA	PeJP	NA	NA
+PJ034045	GTKEYW 	C37H50N8O11	782.3599	NA	PeJP	NA	NA
+PJ034046	GGGGLEFF 	C37H50N8O11	782.36	NA	PeJP	NA	NA
+PJ034047	SKMMMR 	C30H58N10O8S3	782.3601	NA	PeJP	NA	NA
+PJ034048	ACCCKKK 	C30H58N10O8S3	782.3602	NA	PeJP	NA	NA
+PJ034049	PCDHRR 	C30H50N14O9S	782.3606	NA	PeJP	NA	NA
+MJ094204	Tetrocarcin F; 9-Deglycosyl 	C41H54N2O13	782.362589	NA	MeJP	NA	NA
+PJ034050	VNKEMY 	C34H54N8O11S	782.3633	NA	PeJP	NA	NA
+PJ034051	KFYYY 	C42H50N6O9	782.3639	NA	PeJP	NA	NA
+PJ034052	PPPFYY 	C42H50N6O9	782.364	NA	PeJP	NA	NA
+PJ034053	CRRYW 	C35H50N12O7S	782.3646	NA	PeJP	NA	NA
+PJ034054	GPMHRW 	C35H50N12O7S	782.3647	NA	PeJP	NA	NA
+PJ034055	SSSSTTTL 	C30H54N8O16	782.3658	NA	PeJP	NA	NA
+PJ034056	SSSLKMM 	C31H58N8O11S2	782.3667	NA	PeJP	NA	NA
+PJ034057	SSDRRY 	C31H50N12O12	782.3671	NA	PeJP	NA	NA
+PJ034058	VNEEHR 	C31H50N12O12	782.3672	NA	PeJP	NA	NA
+PJ034059	PPLMYY 	C39H54N6O9S	782.3673	NA	PeJP	NA	NA
+PJ034060	ACMFRR 	C32H54N12O7S2	782.368	NA	PeJP	NA	NA
+PJ034061	LLEMMF 	C36H58N6O9S2	782.3707	NA	PeJP	NA	NA
+PJ034062	GTTRYW 	C36H50N10O10	782.3712	NA	PeJP	NA	NA
+MJ094205	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranoside], 6-Ac 	C39H58O16	782.372485	NA	MeJP	NA	NA
+PJ034063	GKEMRY 	C33H54N10O10S	782.3745	NA	PeJP	NA	NA
+PJ034064	GGGACKKY 	C33H54N10O10S	782.3746	NA	PeJP	NA	NA
+PJ034065	TKYWW 	C41H50N8O8	782.3752	NA	PeJP	NA	NA
+PJ034066	SSCCKKK 	C30H58N10O10S2	782.3779	NA	PeJP	NA	NA
+PJ034067	GEEHRR 	C30H50N14O11	782.3784	NA	PeJP	NA	NA
+PJ034068	GVKMYW 	C38H54N8O8S	782.3786	NA	PeJP	NA	NA
+PJ034069	SSPTTKY 	C34H54N8O13	782.381	NA	PeJP	NA	NA
+PJ034070	SKKEEY 	C34H54N8O13	782.3811	NA	PeJP	NA	NA
+MJ094206	Bianthrone A1 	C50H54O8	782.381868	NA	MeJP	NA	NA
+MJ094207	Bianthrone A3a 	C50H54O8	782.381868	NA	MeJP	NA	NA
+PJ034071	VQKMMF 	C35H58N8O8S2	782.3819	NA	PeJP	NA	NA
+PJ034072	GVEHRW 	C35H50N12O9	782.3824	NA	PeJP	NA	NA
+PJ034073	TTTTTKM 	C31H58N8O13S	782.3844	NA	PeJP	NA	NA
+PJ034074	PVLEYY 	C39H54N6O11	782.3851	NA	PeJP	NA	NA
+PJ034075	GTMRRY 	C32H54N12O9S	782.3858	NA	PeJP	NA	NA
+PJ034076	AALHWW 	C40H50N10O7	782.3864	NA	PeJP	NA	NA
+PJ034077	SNNHRR 	C29H50N16O10	782.3896	NA	PeJP	NA	NA
+PJ034078	KMRYW 	C37H54N10O7S	782.3898	NA	PeJP	NA	NA
+PJ034079	STKERY 	C33H54N10O12	782.3923	NA	PeJP	NA	NA
+PJ034080	AKMMFR 	C34H58N10O7S2	782.3932	NA	PeJP	NA	NA
+PJ034081	EHRRW 	C34H50N14O8	782.3936	NA	PeJP	NA	NA
+PJ034082	GAPKHHH 	C34H50N14O8	782.3937	NA	PeJP	NA	NA
+C18095	Deltorphin B	C38H54N8O10	782.3963	NA	KEGG	NA	NA
+PJ034083	SSLKYW 	C38H54N8O10	782.3963	NA	PeJP	NA	NA
+PJ034084	SPMHRR 	C31H54N14O8S	782.397	NA	PeJP	NA	NA
+PJ034085	VHRWW 	C39H50N12O6	782.3977	NA	PeJP	NA	NA
+PJ034086	VDKKMY 	C35H58N8O10S	782.3997	NA	PeJP	NA	NA
+PJ034087	PPLFFY 	C43H54N6O8	782.4003	NA	PeJP	NA	NA
+PJ034088	STTRRY 	C32H54N12O11	782.4035	NA	PeJP	NA	NA
+PJ034089	GGGPPDKR 	C32H54N12O11	782.4036	NA	PeJP	NA	NA
+PJ034090	PLLMFY 	C40H58N6O8S	782.4037	NA	PeJP	NA	NA
+PJ034091	LLLMMY 	C37H62N6O8S2	782.4071	NA	PeJP	NA	NA
+PJ034092	PPVERW 	C37H54N10O9	782.4076	NA	PeJP	NA	NA
+PJ034093	SVKMRY 	C34H58N10O9S	782.4109	NA	PeJP	NA	NA
+PJ034094	PPVVWW 	C42H54N8O7	782.4116	NA	PeJP	NA	NA
+PJ034095	SVEHRR 	C31H54N14O10	782.4148	NA	PeJP	NA	NA
+PJ034096	GTTTLKY 	C35H58N8O12	782.4174	NA	PeJP	NA	NA
+PJ034097	APPLKEE 	C35H58N8O12	782.4175	NA	PeJP	NA	NA
+PJ034098	VKKMMF 	C36H62N8O7S2	782.4183	NA	PeJP	NA	NA
+PJ034099	ATLHRW 	C36H54N12O8	782.4188	NA	PeJP	NA	NA
+PJ034100	VLLEFY 	C40H58N6O10	782.4215	NA	PeJP	NA	NA
+PJ034101	VLQMHR 	C33H58N12O8S	782.4222	NA	PeJP	NA	NA
+PJ034102	KFFRW 	C41H54N10O6	782.4228	NA	PeJP	NA	NA
+PJ034103	APPTLER 	C34H58N10O11	782.4287	NA	PeJP	NA	NA
+PJ034104	APHFRR 	C35H54N14O7	782.43	NA	PeJP	NA	NA
+PJ034105	GPPTLLW 	C39H58N8O9	782.4327	NA	PeJP	NA	NA
+PJ034106	ALMHRR 	C32H58N14O7S	782.4334	NA	PeJP	NA	NA
+PJ034107	TLKKMY 	C36H62N8O9S	782.4361	NA	PeJP	NA	NA
+PJ034108	PLLFFF 	C44H58N6O7	782.4367	NA	PeJP	NA	NA
+PJ034109	TLKEHR 	C33H58N12O10	782.4399	NA	PeJP	NA	NA
+PJ034110	LLLMFF 	C41H62N6O7S	782.4401	NA	PeJP	NA	NA
+PJ034111	SLLKHW 	C38H58N10O8	782.4439	NA	PeJP	NA	NA
+PJ034112	AAPLKHF 	C38H58N10O8	782.444	NA	PeJP	NA	NA
+MJ094208	2,3,23-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094209	3,16,23,28-Tetrahydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-?-D-Fucopyranoside, 29-D-ribit-1-yl ester 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094210	3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 21-O-?-D-glucopyranoside 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094211	3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094212	3,19,23-Trihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094213	3,19,23-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094214	3,19,24-Trihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094215	?-Ilexanolic acid; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094216	Cycloorbigenin; 3-O-?-D-Xylopyranoside, 25-O-?-D-glucopyranoside 	C41H66O14	782.445256	NA	MeJP	NA	NA
+MJ094217	Ergosta-5,24(28)-diene-2,3,4,7-tetrol, 4-O-?-D-Galactopyranosyl, 7-O-(4-O-acetyl-?-D-xylopyranosyl) 	C41H66O14	782.445256	NA	MeJP	NA	NA
+PJ034113	GPPLLMR 	C35H62N10O8S	782.4473	NA	PeJP	NA	NA
+PJ034114	TTLHRR 	C32H58N14O9	782.4512	NA	PeJP	NA	NA
+PJ034115	SPPLLKE 	C36H62N8O11	782.4538	NA	PeJP	NA	NA
+PJ034116	GGPVVLLE 	C36H62N8O11	782.4539	NA	PeJP	NA	NA
+PJ034117	GKKKHW 	C37H58N12O7	782.4552	NA	PeJP	NA	NA
+PJ034118	VLLLYY 	C41H62N6O9	782.4579	NA	PeJP	NA	NA
+PJ034119	VLKMHR 	C34H62N12O7S	782.4586	NA	PeJP	NA	NA
+PJ034120	APQRRR 	C31H58N16O8	782.4624	NA	PeJP	NA	NA
+PJ034121	GPVLLER 	C35H62N10O10	782.4651	NA	PeJP	NA	NA
+PJ034122	AAPLLLW 	C40H62N8O8	782.4691	NA	PeJP	NA	NA
+PJ034123	PPVVLKM 	C37H66N8O8S	782.4725	NA	PeJP	NA	NA
+PJ034124	PLLERR 	C34H62N12O9	782.4763	NA	PeJP	NA	NA
+PJ034125	PVLLRW 	C39H62N10O7	782.4803	NA	PeJP	NA	NA
+MJ094218	12,23-Epoxydammar-24-ene-3,20-diol, 3,20-Di-O-?-D-glucopyranoside 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094219	12,24:20,24-Diepoxydammarane-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094220	12-Oleanene-3,16,22,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094221	12-Oleanene-3,16,28-triol, 3,16-Di-O-?-D-glucopyranoside 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094222	Bafilomycin A1; O21-(2-O-Methyl-?-L-rhamnopyranoside) 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094223	Cucurbita-5,24-diene-3,22,23-triol, 3-O-?-Gentiobioside 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094224	Cycloart-24-ene-3,6,16-triol, 3,16-Di-O-?-D-glucopyranoside 	C42H70O13	782.481642	NA	MeJP	NA	NA
+MJ094225	Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3,20-di-?-D-glucopyranoside 	C42H70O13	782.481642	NA	MeJP	NA	NA
+PJ034126	PVQKRR 	C33H62N14O8	782.4875	NA	PeJP	NA	NA
+PJ034127	APLLLKE 	C37H66N8O10	782.4902	NA	PeJP	NA	NA
+PJ034128	APKRRR 	C32H62N16O7	782.4988	NA	PeJP	NA	NA
+PJ034129	APTLLLR 	C36H66N10O9	782.5015	NA	PeJP	NA	NA
+PJ034130	AAPLKKR 	C35H66N12O8	782.5127	NA	PeJP	NA	NA
+PJ034131	PVKKRR 	C34H66N14O7	782.5239	NA	PeJP	NA	NA
+PJ034132	SPLLLLK 	C38H70N8O9	782.5266	NA	PeJP	NA	NA
+PJ034133	GVLLLLR 	C37H70N10O8	782.5378	NA	PeJP	NA	NA
+PJ034134	LLLLRR 	C36H70N12O7	782.5491	NA	PeJP	NA	NA
+PJ034135	ALLLLLK 	C39H74N8O8	782.563	NA	PeJP	NA	NA
+MetaCyc04135	1-18:2-2-18:2-sn-glycerol-3-phosphocholine []	C44H81N1O8P1	782.56998	NA	metacyc	NA	NA
+EUR1050	SM(d18:0/20:0) [M+Na]+	C43H89N2O6P	782.627772	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1050	SM(d18:0/20:0) [M+Na]+	C43H89N2O6P	782.627772	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1050	SM(d18:0/20:0) [M+Na]+	C43H89N2O6P	782.627772	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1050	SM(d18:0/20:0) [M+Na]+	C43H89N2O6P	782.627772	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1109	SM(d18:1/22:3) monoisotopic mass 	C45H87N2O6P	782.630176	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1109	SM(d18:1/22:3) monoisotopic mass 	C45H87N2O6P	782.630176	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1109	SM(d18:1/22:3) monoisotopic mass 	C45H87N2O6P	782.630176	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1109	SM(d18:1/22:3) monoisotopic mass 	C45H87N2O6P	782.630176	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094226	Neosurugatoxin 	C30H34BrN5O15	783.123478	NA	MeJP	NA	NA
+C16761	Neosurugatoxin	C30H34BrN5O15	783.1235	NA	KEGG	NA	NA
+PJ034136	CCCCCCF 	C27H41N7O8S6	783.1341	NA	PeJP	NA	NA
+PJ034137	SCCCCCY 	C27H41N7O10S5	783.1519	NA	PeJP	NA	NA
+FL7AACGL0047	Cyanidin 3,5-di-(6-malonylglucoside)	C33H35O22	783.16199	-	knapsack	NA	NA
+PJ034138	SCCCCEH 	C26H41N9O11S4	783.1809	NA	PeJP	NA	NA
+PJ034139	SCDDDDD 	C26H37N7O19S	783.1865	NA	PeJP	NA	NA
+PJ034140	PCCCDDE 	C27H41N7O14S3	783.1874	NA	PeJP	NA	NA
+PJ034141	GCCCMMH 	C27H45N9O8S5	783.1995	NA	PeJP	NA	NA
+PJ034142	GCDDDEM 	C27H41N7O16S2	783.2052	NA	PeJP	NA	NA
+PJ034143	CCCNNNN 	C25H41N11O12S3	783.2099	NA	PeJP	NA	NA
+FL7AAAGL0033	Pelargonidin 3-(6''-p-coumarylglucoside)-5-(6'''-acetylglucoside)	C38H39O18	783.21363	168647-44-7	knapsack	NA	NA
+PJ034144	GCCCDHF 	C30H41N9O10S3	783.2139	NA	PeJP	NA	NA
+PJ034145	SCCNNDE 	C26H41N9O15S2	783.2164	NA	PeJP	NA	NA
+PJ034146	STCCCMH 	C27H45N9O10S4	783.2172	NA	PeJP	NA	NA
+PJ034147	PCCCNNM 	C27H45N9O10S4	783.2173	NA	PeJP	NA	NA
+PJ034148	CDDDMW 	C31H41N7O13S2	783.2204	NA	PeJP	NA	NA
+PJ034149	SSDDDDM 	C27H41N7O18S	783.2229	NA	PeJP	NA	NA
+PJ034150	SPCCDEM 	C28H45N7O13S3	783.2238	NA	PeJP	NA	NA
+PJ034151	PPCCCMM 	C29H49N7O8S5	783.2247	NA	PeJP	NA	NA
+PJ034152	GSCCNDW 	C30H41N9O12S2	783.2316	NA	PeJP	NA	NA
+PJ034153	GGGSCCDW 	C30H41N9O12S2	783.2317	NA	PeJP	NA	NA
+PJ034154	GSSSCNDD 	C26H41N9O17S	783.2341	NA	PeJP	NA	NA
+PJ034155	GGGSSSCDD 	C26H41N9O17S	783.2342	NA	PeJP	NA	NA
+PJ034156	GCNNDMM 	C27H45N9O12S3	783.235	NA	PeJP	NA	NA
+PJ034157	GPCDDDY 	C31H41N7O15S	783.2382	NA	PeJP	NA	NA
+PJ034158	PPCCCDF 	C32H45N7O10S3	783.239	NA	PeJP	NA	NA
+PJ034159	GSDDEMM 	C28H45N7O15S2	783.2415	NA	PeJP	NA	NA
+PJ034160	GPCDMMM 	C29H49N7O10S4	783.2424	NA	PeJP	NA	NA
+PJ034161	GCCCNER 	C26H45N11O11S3	783.2462	NA	PeJP	NA	NA
+PJ034162	GGGCCCER 	C26H45N11O11S3	783.2463	NA	PeJP	NA	NA
+PJ034163	GCNNDDF 	C30H41N9O14S	783.2494	NA	PeJP	NA	NA
+PJ034164	CCNQMW 	C31H45N9O9S3	783.2503	NA	PeJP	NA	NA
+PJ034165	SSCNNEM 	C27H45N9O14S2	783.2528	NA	PeJP	NA	NA
+PJ034166	PCCCCQK 	C28H49N9O9S4	783.2536	NA	PeJP	NA	NA
+PJ034167	GAPCCCCK 	C28H49N9O9S4	783.2537	NA	PeJP	NA	NA
+PJ034168	GCCNNHH 	C28H41N13O10S2	783.2541	NA	PeJP	NA	NA
+PJ034169	NDDEEY 	C31H41N7O17	783.2559	NA	PeJP	NA	NA
+PJ034170	SDDMMW 	C32H45N7O12S2	783.2568	NA	PeJP	NA	NA
+PJ034171	SSSDEEM 	C28H45N7O17S	783.2593	NA	PeJP	NA	NA
+PJ034172	NEEMMM 	C29H49N7O12S3	783.2602	NA	PeJP	NA	NA
+PJ034173	GSCDEHH 	C29H41N11O13S	783.2606	NA	PeJP	NA	NA
+PJ034174	CCCNRW 	C30H45N11O8S3	783.2615	NA	PeJP	NA	NA
+PJ034175	SSCCNDR 	C26H45N11O13S2	783.264	NA	PeJP	NA	NA
+PJ034176	GSNNDDY 	C30H41N9O16	783.2672	NA	PeJP	NA	NA
+PJ034177	GSSCNMW 	C31H45N9O11S2	783.268	NA	PeJP	NA	NA
+PJ034178	GSSSSNDM 	C27H45N9O16S	783.2705	NA	PeJP	NA	NA
+PJ034179	GDDEYW 	C35H41N7O14	783.2712	NA	PeJP	NA	NA
+PJ034180	CDEMMR 	C28H49N9O11S3	783.2714	NA	PeJP	NA	NA
+PJ034181	PCCEFW 	C36H45N7O9S2	783.2721	NA	PeJP	NA	NA
+PJ034182	ASPCDEY 	C32H45N7O14S	783.2745	NA	PeJP	NA	NA
+PJ034183	GSPDDMY 	C32H45N7O14S	783.2746	NA	PeJP	NA	NA
+PJ034184	GEMMMW 	C33H49N7O9S3	783.2754	NA	PeJP	NA	NA
+PJ034185	SCDHHW 	C33H41N11O10S	783.2759	NA	PeJP	NA	NA
+PJ034186	GSTEEMM 	C29H49N7O14S2	783.2779	NA	PeJP	NA	NA
+PJ034187	SSSDDHH 	C29H41N11O15	783.2784	NA	PeJP	NA	NA
+PJ034188	GSPMMMM 	C30H53N7O9S4	783.2788	NA	PeJP	NA	NA
+PJ034189	NDMMHH 	C30H45N11O10S2	783.2793	NA	PeJP	NA	NA
+PJ034190	PDDDHW 	C34H41N9O13	783.2824	NA	PeJP	NA	NA
+PJ034191	GSCCQMR 	C27H49N11O10S3	783.2826	NA	PeJP	NA	NA
+PJ034192	CCQHFF 	C35H45N9O8S2	783.2833	NA	PeJP	NA	NA
+PJ034193	SSSSCQW 	C31H45N9O13S	783.2858	NA	PeJP	NA	NA
+PJ034194	DDYWW 	C39H41N7O11	783.2864	NA	PeJP	NA	NA
+PJ034195	CCNKMW 	C32H49N9O8S3	783.2867	NA	PeJP	NA	NA
+PJ034196	SSSSSSNE 	C27H45N9O18	783.2883	NA	PeJP	NA	NA
+MJ094227	Delgrandine; Ac 	C43H45NO13	783.28909	NA	MeJP	NA	NA
+PJ034197	SSSNQMM 	C28H49N9O13S2	783.2891	NA	PeJP	NA	NA
+PJ034198	GGSSSQMM 	C28H49N9O13S2	783.2892	NA	PeJP	NA	NA
+PJ034199	GNNNNDH 	C28H41N13O14	783.2896	NA	PeJP	NA	NA
+PJ034200	GGGGGGGNDH 	C28H41N13O14	783.2897	NA	PeJP	NA	NA
+PJ034201	SPCEYW 	C36H45N7O11S	783.2898	NA	PeJP	NA	NA
+PJ034202	PCCCCKK 	C29H53N9O8S4	783.29	NA	PeJP	NA	NA
+PJ034203	CCEHHR 	C29H45N13O9S2	783.2905	NA	PeJP	NA	NA
+MJ094228	Haligramide A 	C37H49N7O6S3	783.290644	NA	MeJP	NA	NA
+PJ034204	MMMWW 	C37H49N7O6S3	783.2907	NA	PeJP	NA	NA
+PJ034205	SQEEEY 	C32H45N7O16	783.2923	NA	PeJP	NA	NA
+PJ034206	STEMMW 	C33H49N7O11S2	783.2932	NA	PeJP	NA	NA
+PJ034207	NDDHHF 	C33H41N11O12	783.2937	NA	PeJP	NA	NA
+PJ034208	GSCCCRR 	C26H49N13O9S3	783.2939	NA	PeJP	NA	NA
+PJ034209	ACMHHW 	C34H45N11O7S2	783.2945	NA	PeJP	NA	NA
+PJ034210	SSTTEEM 	C29H49N7O16S	783.2957	NA	PeJP	NA	NA
+PJ034211	AATEMMM 	C30H53N7O11S3	783.2965	NA	PeJP	NA	NA
+PJ034212	DKEMMM 	C30H53N7O11S3	783.2966	NA	PeJP	NA	NA
+PJ034213	CNNDRY 	C30H45N11O12S	783.297	NA	PeJP	NA	NA
+PJ034214	CNHHHH 	C31H41N15O8S	783.2984	NA	PeJP	NA	NA
+PJ034215	SSSCNMR 	C27H49N11O12S2	783.3004	NA	PeJP	NA	NA
+PJ034216	GNNMYW 	C35H45N9O10S	783.301	NA	PeJP	NA	NA
+PJ034217	GGGGGMYW 	C35H45N9O10S	783.3011	NA	PeJP	NA	NA
+PJ034218	GSSSSSSW 	C31H45N9O15	783.3035	NA	PeJP	NA	NA
+PJ034219	GGGGGSTEY 	C31H45N9O15	783.3036	NA	PeJP	NA	NA
+PJ034220	GSTCCKW 	C32H49N9O10S2	783.3044	NA	PeJP	NA	NA
+PJ034221	DMFWW 	C40H45N7O8S	783.3051	NA	PeJP	NA	NA
+PJ034222	GSSSSTQM 	C28H49N9O15S	783.3069	NA	PeJP	NA	NA
+PJ034223	GTEEYW 	C36H45N7O13	783.3076	NA	PeJP	NA	NA
+PJ034224	SEMMMR 	C29H53N9O10S3	783.3078	NA	PeJP	NA	NA
+PJ034225	GPMMYW 	C37H49N7O8S2	783.3084	NA	PeJP	NA	NA
+MJ094229	Aclacinomycin K 	C40H49NO15	783.310219	NA	MeJP	NA	NA
+MJ094230	Ditrisarubicin A; 10-De-O-glycosyl 	C40H49NO15	783.310219	NA	MeJP	NA	NA
+PJ034226	VNEEMY 	C33H49N7O13S	783.3109	NA	PeJP	NA	NA
+PJ034227	EFYYY 	C41H45N5O11	783.3116	NA	PeJP	NA	NA
+PJ034228	SVMMMW 	C34H53N7O8S3	783.3118	NA	PeJP	NA	NA
+PJ034229	SSMHHW 	C34H45N11O9S	783.3123	NA	PeJP	NA	NA
+PJ034230	SSSLEMM 	C30H53N7O13S2	783.3143	NA	PeJP	NA	NA
+PJ034231	SSSTEHH 	C30H45N11O14	783.3148	NA	PeJP	NA	NA
+PJ034232	LQMMMM 	C31H57N7O8S4	783.3152	NA	PeJP	NA	NA
+PJ034233	CNNMFR 	C31H49N11O9S2	783.3156	NA	PeJP	NA	NA
+PJ034234	GGCNMFR 	C31H49N11O9S2	783.3157	NA	PeJP	NA	NA
+PJ034235	GSSSSTCR 	C27H49N11O14S	783.3181	NA	PeJP	NA	NA
+PJ034236	SSNQYW 	C35H45N9O12	783.3188	NA	PeJP	NA	NA
+PJ034237	GSCCKMR 	C28H53N11O9S3	783.319	NA	PeJP	NA	NA
+PJ034238	CCKHFF 	C36H49N9O7S2	783.3197	NA	PeJP	NA	NA
+PJ034239	SSSSCKW 	C32H49N9O12S	783.3222	NA	PeJP	NA	NA
+PJ034240	TEYWW 	C40H45N7O10	783.3228	NA	PeJP	NA	NA
+PJ034241	PCMMFR 	C33H53N9O7S3	783.323	NA	PeJP	NA	NA
+PJ034242	GPPCHHH 	C33H45N13O8S	783.3235	NA	PeJP	NA	NA
+PJ034243	SSSSSSDK 	C28H49N9O17	783.3247	NA	PeJP	NA	NA
+PJ034244	SSSNKMM 	C29H53N9O12S2	783.3255	NA	PeJP	NA	NA
+PJ034245	NNDEHR 	C29H45N13O13	783.326	NA	PeJP	NA	NA
+PJ034246	GVEMYW 	C37H49N7O10S	783.3262	NA	PeJP	NA	NA
+PJ034247	CLMMMR 	C30H57N9O7S4	783.3264	NA	PeJP	NA	NA
+PJ034248	TCMHHR 	C30H49N13O8S2	783.3269	NA	PeJP	NA	NA
+PJ034249	SKEEEY 	C33H49N7O15	783.3287	NA	PeJP	NA	NA
+PJ034250	PDKMMY 	C34H53N7O10S2	783.3296	NA	PeJP	NA	NA
+PJ034251	GQQEHW 	C34H45N11O11	783.33	NA	PeJP	NA	NA
+PJ034252	GGGAAEHW 	C34H45N11O11	783.3301	NA	PeJP	NA	NA
+PJ034253	TTTTTEM 	C30H53N7O15S	783.3321	NA	PeJP	NA	NA
+PJ034254	GTTLMMM 	C31H57N7O10S3	783.3329	NA	PeJP	NA	NA
+PJ034255	SNNMRY 	C31H49N11O11S	783.3334	NA	PeJP	NA	NA
+PJ034256	GNNFFW 	C39H45N9O9	783.3341	NA	PeJP	NA	NA
+PJ034257	SSSSSSSR 	C27H49N11O16	783.3359	NA	PeJP	NA	NA
+PJ034258	SSTCCKR 	C28H53N11O11S2	783.3368	NA	PeJP	NA	NA
+PJ034259	EMRYW 	C36H49N9O9S	783.3374	NA	PeJP	NA	NA
+PJ034260	STEERY 	C32H49N9O14	783.3399	NA	PeJP	NA	NA
+PJ034261	SPMMRY 	C33H53N9O9S2	783.3408	NA	PeJP	NA	NA
+PJ034262	GNDHRW 	C33H45N13O10	783.3413	NA	PeJP	NA	NA
+PJ034263	VMYWW 	C41H49N7O7S	783.3414	NA	PeJP	NA	NA
+PJ034264	GPMFFW 	C41H49N7O7S	783.3415	NA	PeJP	NA	NA
+PJ034265	GSSSSTKM 	C29H53N9O14S	783.3433	NA	PeJP	NA	NA
+PJ034266	SSLEYW 	C37H49N7O12	783.3439	NA	PeJP	NA	NA
+MJ094231	Antibiotic B 1625FA2?-1 	C37H49N7O12	783.34392	NA	MeJP	NA	NA
+PJ034267	PDDKFY 	C37H49N7O12	783.344	NA	PeJP	NA	NA
+PJ034268	GSCKKMM 	C30H57N9O9S3	783.3442	NA	PeJP	NA	NA
+PJ034269	GSPCQHR 	C30H49N13O10S	783.3446	NA	PeJP	NA	NA
+PJ034270	GGGPTCHR 	C30H49N13O10S	783.3447	NA	PeJP	NA	NA
+PJ034271	GLMMFW 	C38H53N7O7S2	783.3448	NA	PeJP	NA	NA
+3726	NA	YPFGFPG	783.345	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ034272	QQHWW 	C38H45N11O8	783.3453	NA	PeJP	NA	NA
+MJ094232	Auramycin F; 3''-Deoxy 	C41H53NO14	783.346605	NA	MeJP	NA	NA
+PJ034273	VDKEMY 	C34H53N7O12S	783.3473	NA	PeJP	NA	NA
+PJ034274	LYYYY 	C42H49N5O10	783.348	NA	PeJP	NA	NA
+PJ034275	PKMMMF 	C35H57N7O7S3	783.3482	NA	PeJP	NA	NA
+PJ034276	PCNKHW 	C35H49N11O8S	783.3487	NA	PeJP	NA	NA
+PJ034277	STTTLMM 	C31H57N7O12S2	783.3507	NA	PeJP	NA	NA
+PJ034278	SSPTQQH 	C31H49N11O13	783.3511	NA	PeJP	NA	NA
+PJ034279	GSSSQRY 	C31H49N11O13	783.3512	NA	PeJP	NA	NA
+PJ034280	LKMMMM 	C32H61N7O7S4	783.3516	NA	PeJP	NA	NA
+PJ034281	CCQKFR 	C32H53N11O8S2	783.352	NA	PeJP	NA	NA
+PJ034282	SSNKYW 	C36H49N9O11	783.3552	NA	PeJP	NA	NA
+PJ034283	APHHHW 	C37H45N13O7	783.3565	NA	PeJP	NA	NA
+PJ034284	SVEMRY 	C33H53N9O11S	783.3585	NA	PeJP	NA	NA
+PJ034285	TCLERY 	C33H53N9O11S	783.3586	NA	PeJP	NA	NA
+PJ034286	GPVYYW 	C41H49N7O9	783.3592	NA	PeJP	NA	NA
+PJ034287	GMHHFR 	C34H49N13O7S	783.3599	NA	PeJP	NA	NA
+PJ034288	SSSSSTTK 	C29H53N9O16	783.361	NA	PeJP	NA	NA
+PJ034289	SSTCKKM 	C30H57N9O11S2	783.3619	NA	PeJP	NA	NA
+PJ034290	SQQEHR 	C30H49N13O12	783.3624	NA	PeJP	NA	NA
+PJ034291	ATLMYW 	C38H53N7O9S	783.3626	NA	PeJP	NA	NA
+PJ034292	GTTTLEY 	C34H53N7O14	783.3651	NA	PeJP	NA	NA
+PJ034293	VLQMMY 	C35H57N7O9S2	783.3659	NA	PeJP	NA	NA
+PJ034294	GGLLMMY 	C35H57N7O9S2	783.366	NA	PeJP	NA	NA
+PJ034295	PPNDRW 	C35H49N11O10	783.3664	NA	PeJP	NA	NA
+PJ034296	SCQKRY 	C32H53N11O10S	783.3698	NA	PeJP	NA	NA
+PJ034297	APPQWW 	C40H49N9O8	783.3704	NA	PeJP	NA	NA
+PJ034298	SNDHRR 	C29H49N15O11	783.3736	NA	PeJP	NA	NA
+PJ034299	GCKKYW 	C37H53N9O8S	783.3738	NA	PeJP	NA	NA
+PJ034300	VFFWW 	C45H49N7O6	783.3745	NA	PeJP	NA	NA
+PJ034301	GSSDKKY 	C33H53N9O13	783.3763	NA	PeJP	NA	NA
+PJ034302	ALMMRY 	C34H57N9O8S2	783.3772	NA	PeJP	NA	NA
+PJ034303	GTQHRW 	C34H49N13O9	783.3777	NA	PeJP	NA	NA
+PJ034304	TTTLYW 	C38H53N7O11	783.3803	NA	PeJP	NA	NA
+PJ034305	VNQMHR 	C31H53N13O9S	783.381	NA	PeJP	NA	NA
+PJ034306	QKHWW 	C39H49N11O7	783.3817	NA	PeJP	NA	NA
+PJ034307	TLKEMY 	C35H57N7O11S	783.3837	NA	PeJP	NA	NA
+PJ034308	PPMHFR 	C36H53N11O7S	783.3851	NA	PeJP	NA	NA
+PJ034309	GSSSKRY 	C32H53N11O12	783.3875	NA	PeJP	NA	NA
+PJ034310	TLEEHR 	C32H53N11O12	783.3876	NA	PeJP	NA	NA
+PJ034311	CCKKFR 	C33H57N11O7S2	783.3884	NA	PeJP	NA	NA
+PJ034312	PTHHHR 	C33H49N15O8	783.3889	NA	PeJP	NA	NA
+PJ034313	SLLEHW 	C37H53N9O10	783.3916	NA	PeJP	NA	NA
+PJ034314	GQMHRR 	C30H53N15O8S	783.3923	NA	PeJP	NA	NA
+PJ034315	TTLMRY 	C34H57N9O10S	783.3949	NA	PeJP	NA	NA
+PJ034316	GVVLEMH 	C34H57N9O10S	783.395	NA	PeJP	NA	NA
+PJ034317	GVLFYW 	C42H53N7O8	783.3956	NA	PeJP	NA	NA
+PJ034318	GSPPDRR 	C31H53N13O11	783.3988	NA	PeJP	NA	NA
+PJ034319	PVKMFY 	C39H57N7O8S	783.399	NA	PeJP	NA	NA
+PJ034320	SSTTLLY 	C35H57N7O13	783.4015	NA	PeJP	NA	NA
+PJ034321	VLKMMY 	C36H61N7O8S2	783.4023	NA	PeJP	NA	NA
+PJ034322	PPTQRW 	C36H53N11O9	783.4028	NA	PeJP	NA	NA
+PJ034323	GCHRRR 	C29H53N17O7S	783.4035	NA	PeJP	NA	NA
+MJ094233	Fumonisin A1; 10-Deoxy, 2-de(acetylamino), 2-(3-hydroxy-1-pyridinyl) 	C39H62NO15(+)	783.40412	NA	MeJP	NA	NA
+MJ094234	Fumonisin A1; 5-Deoxy, 2-de(acetylamino), 2-(3-hydroxy-1-pyridinyl) 	C39H62NO15(+)	783.40412	NA	MeJP	NA	NA
+PJ034324	SCKKRY 	C33H57N11O9S	783.4062	NA	PeJP	NA	NA
+PJ034325	APPKWW 	C41H53N9O7	783.4068	NA	PeJP	NA	NA
+MJ094235	Beauvericin 	C45H57N3O9	783.40948	NA	MeJP	NA	NA
+C11590	Beauvericin	C45H57N3O9	783.4095	NA	KEGG	NA	NA
+PJ034326	STQHRR 	C30H53N15O10	783.41	NA	PeJP	NA	NA
+PJ034327	VVLMHW 	C38H57N9O7S	783.4102	NA	PeJP	NA	NA
+PJ034328	GSTTKKY 	C34H57N9O12	783.4127	NA	PeJP	NA	NA
+PJ034329	CKKKMF 	C35H61N9O7S2	783.4136	NA	PeJP	NA	NA
+PJ034330	GTKHRW 	C35H53N13O8	783.414	NA	PeJP	NA	NA
+PJ034331	GALLHHH 	C35H53N13O8	783.4141	NA	PeJP	NA	NA
+3128	exomorphin from bovine alpha s1-casein fr:90-95	RYLGYL	783.416	celiac toxic	Inhouse_peptide	NA	peptide
+PJ034332	PTLKYY 	C39H57N7O10	783.4167	NA	PeJP	NA	NA
+PJ034333	PPQMRR 	C32H57N13O8S	783.4174	NA	PeJP	NA	NA
+PJ034334	KKHWW 	C40H53N11O6	783.4181	NA	PeJP	NA	NA
+PJ034335	PPVVLEM 	C36H61N7O10S	783.4201	NA	PeJP	NA	NA
+PJ034336	GPPTKER 	C33H57N11O11	783.4239	NA	PeJP	NA	NA
+PJ034337	AAAAPVER 	C33H57N11O11	783.424	NA	PeJP	NA	NA
+PJ034338	VVHHHR 	C34H53N15O7	783.4253	NA	PeJP	NA	NA
+PJ034339	AQKKFY 	C38H57N9O9	783.4279	NA	PeJP	NA	NA
+PJ034340	PPKKEW 	C38H57N9O9	783.428	NA	PeJP	NA	NA
+PJ034341	GKMHRR 	C31H57N15O7S	783.4286	NA	PeJP	NA	NA
+PJ034342	PPCRRR 	C31H57N15O7S	783.4287	NA	PeJP	NA	NA
+PJ034343	SKKKMY 	C35H61N9O9S	783.4313	NA	PeJP	NA	NA
+PJ034344	PVKFFF 	C43H57N7O7	783.432	NA	PeJP	NA	NA
+PJ034345	PVQERR 	C32H57N13O10	783.4352	NA	PeJP	NA	NA
+PJ034346	VLKMFF 	C40H61N7O7S	783.4354	NA	PeJP	NA	NA
+PJ034347	APLLLEE 	C36H61N7O12	783.4379	NA	PeJP	NA	NA
+PJ034348	PPTKRW 	C37H57N11O8	783.4392	NA	PeJP	NA	NA
+MJ094236	Carbomycin B; O-De-Ac 	C40H65NO14	783.440505	NA	MeJP	NA	NA
+PJ034349	GPPVKMR 	C34H61N11O8S	783.4426	NA	PeJP	NA	NA
+PJ034350	APERRR 	C31H57N15O9	783.4464	NA	PeJP	NA	NA
+PJ034351	STTLLLH 	C35H61N9O11	783.4491	NA	PeJP	NA	NA
+PJ034352	GPLRRW 	C36H57N13O7	783.4504	NA	PeJP	NA	NA
+PJ034353	VVLKYY 	C40H61N7O9	783.4531	NA	PeJP	NA	NA
+3294	bovine kappa-casein fr, 106-112	MAIPPKK	783.4534	celiac toxic	Inhouse_peptide	NA	peptide
+PJ034354	PPKMRR 	C33H61N13O7S	783.4538	NA	PeJP	NA	NA
+PJ034355	PPTLLLM 	C37H65N7O9S	783.4565	NA	PeJP	NA	NA
+PJ034356	AAPLKER 	C34H61N11O10	783.4603	NA	PeJP	NA	NA
+MJ094237	Hydra RFamides; Hydra RFamide IV 	C35H57N15O6	783.461624	NA	MeJP	NA	NA
+PJ034357	PLLQKW 	C39H61N9O8	783.4643	NA	PeJP	NA	NA
+PJ034358	GAPLLKW 	C39H61N9O8	783.4644	NA	PeJP	NA	NA
+PJ034359	APPLKKM 	C36H65N9O8S	783.4677	NA	PeJP	NA	NA
+PJ034360	PVKERR 	C33H61N13O9	783.4716	NA	PeJP	NA	NA
+PJ034361	SPLLLLE 	C37H65N7O11	783.4742	NA	PeJP	NA	NA
+PJ034362	PVVKRW 	C38H61N11O7	783.4756	NA	PeJP	NA	NA
+PJ034363	LKKKMH 	C35H65N11O7S	783.4789	NA	PeJP	NA	NA
+PJ034364	SPLRRR 	C32H61N15O8	783.4828	NA	PeJP	NA	NA
+HMDB09210	PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H70NO8P	783.483887	NA	HMDB2010	NA	NA
+HMDB09467	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H70NO8P	783.483887	NA	HMDB2010	NA	NA
+HMDB09690	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	C45H70NO8P	783.483887	NA	HMDB2010	NA	NA
+PJ034365	GPLLKKE 	C36H65N9O10	783.4855	NA	PeJP	NA	NA
+PJ034366	PPVVLLF 	C41H65N7O8	783.4895	NA	PeJP	NA	NA
+PJ034367	PVVLLLM 	C38H69N7O8S	783.4929	NA	PeJP	NA	NA
+PJ034368	GPTLLKR 	C35H65N11O9	783.4967	NA	PeJP	NA	NA
+PJ034369	PLLKKW 	C40H65N9O7	783.5007	NA	PeJP	NA	NA
+HMDB12361	PS(16:0/20:4(5Z,8Z,11Z,14Z))	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+HMDB12371	PS(16:1(9Z)/20:3(8Z,11Z,14Z))	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+HMDB12392	PS(18:1(9Z)/18:3(9Z,12Z,15Z))	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+HMDB12402	PS(18:2(9Z,12Z)/18:2(9Z,12Z))	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+HMDB12412	PS(18:3(9Z,12Z,15Z)/18:1(9Z))	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+HMDB12421	PS(20:3(8Z,11Z,14Z)/16:1(9Z))	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+HMDB12431	PS(20:4(5Z,8Z,11Z,14Z)/16:0)	C42H74NO10P	783.505005	NA	HMDB2010	NA	NA
+PJ034370	VLLQRR 	C34H65N13O8	783.5079	NA	PeJP	NA	NA
+PJ034371	ALLLLLE 	C38H69N7O10	783.5106	NA	PeJP	NA	NA
+PJ034372	ALLRRR 	C33H65N15O7	783.5192	NA	PeJP	NA	NA
+PJ034373	SPVLLKK 	C37H69N9O9	783.5219	NA	PeJP	NA	NA
+PJ034374	AALLLKR 	C36H69N11O8	783.5331	NA	PeJP	NA	NA
+PJ034375	VLLKRR 	C35H69N13O7	783.5443	NA	PeJP	NA	NA
+PJ034376	SLLLLLL 	C39H73N7O9	783.547	NA	PeJP	NA	NA
+PJ034377	GLLLLKK 	C38H73N9O8	783.5582	NA	PeJP	NA	NA
+EUR969	PC 36:3 monoisotopic mass 	C44H82NO8P	783.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR969	PC 36:3 monoisotopic mass 	C44H82NO8P	783.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR969	PC 36:3 monoisotopic mass 	C44H82NO8P	783.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR969	PC 36:3 monoisotopic mass 	C44H82NO8P	783.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07921	PC(14:1(9Z)/22:2(13Z,16Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB07980	PC(16:0/20:3(5Z,8Z,11Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB07981	PC(16:0/20:3(8Z,11Z,14Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08012	PC(16:1(9Z)/20:2(11Z,14Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08040	PC(18:0/18:3(6Z,9Z,12Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08041	PC(18:0/18:3(9Z,12Z,15Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08072	PC(18:1(11Z)/18:2(9Z,12Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08105	PC(18:1(9Z)/18:2(9Z,12Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08136	PC(18:2(9Z,12Z)/18:1(11Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08137	PC(18:2(9Z,12Z)/18:1(9Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08168	PC(18:3(6Z,9Z,12Z)/18:0)	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08201	PC(18:3(9Z,12Z,15Z)/18:0)	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08332	PC(20:2(11Z,14Z)/16:1(9Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08364	PC(20:3(5Z,8Z,11Z)/16:0)	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08397	PC(20:3(8Z,11Z,14Z)/16:0)	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB08591	PC(22:2(13Z,16Z)/14:1(9Z))	C44H82NO8P	783.57782	NA	HMDB2010	NA	NA
+HMDB09545	PE(22:1(13Z)/P-18:1(11Z))	C45H86NO7P	783.614197	NA	HMDB2010	NA	NA
+HMDB09546	PE(22:1(13Z)/P-18:1(9Z))	C45H86NO7P	783.614197	NA	HMDB2010	NA	NA
+HMDB09577	PE(22:2(13Z,16Z)/P-18:0)	C45H86NO7P	783.614197	NA	HMDB2010	NA	NA
+HMDB11390	PE(P-18:0/22:2(13Z,16Z))	C45H86NO7P	783.614197	NA	HMDB2010	NA	NA
+HMDB11422	PE(P-18:1(11Z)/22:1(13Z))	C45H86NO7P	783.614197	NA	HMDB2010	NA	NA
+HMDB11455	PE(P-18:1(9Z)/22:1(13Z))	C45H86NO7P	783.614197	NA	HMDB2010	NA	NA
+HMDB10707	CerP(d18:1/26:1(17Z))	C46H90NO6P	783.650574	NA	HMDB2010	NA	NA
+HMDB04974	Glucosylceramide (d18:1/22:0)	C46H89NO8	783.65881	http://www.hmdb.ca/metabolites/HMDB04974	HMDB	NA	NA
+HMDB04974	Glucosylceramide (d18:1/22:0)	C46H89NO8	783.65881	HMDB04974	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04974	Glucosylceramide (d18:1/22:0)	C46H89NO8	783.658813	NA	HMDB2010	NA	NA
+HMDB10711	Galactosylceramide (d18:1/22:0)	C46H89NO8	783.658813	NA	HMDB2010	NA	NA
+MJ094238	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(N-hexadecanoylamino) 	C51H93NO4	783.71046	NA	MeJP	NA	NA
+7059	coeliac toxic peptide	LQLQPFPQPQLPY	783.9115	MH2+	Inhouse_peptide	NA	peptide
+C10236	Pedunculagin	C34H24O22	784.0759	NA	KEGG	NA	NA
+MJ094239	2-O-Galloyl 3-O-valoneoyldilactoneglucose 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094240	Casuarinin; 1-Epimer, 5-O-degalloyl 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094241	Casuarinin; 5-Degalloyl 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094242	Granatin A 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094243	Oenothein C 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094244	Pedunculagin 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094245	Platycaryanin D 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094246	Terflavin D; 6'-O-(3,4,5-Trihydroxybenzoyl) 	C34H24O22	784.075922	NA	MeJP	NA	NA
+MJ094247	Bergenin; 3,4,11-Tris-O-(3,4,5-trihydroxybenzoyl) 	C35H28O21	784.112307	NA	MeJP	NA	NA
+MJ094248	Leptosin K1 	C34H36N6O6S5	784.129986	NA	MeJP	NA	NA
+PJ034378	CCCCCNH 	C25H40N10O9S5	784.1584	NA	PeJP	NA	NA
+FL3FAAGS0062	Apigenin 7-Glucosyl-(1->2)-glucuronide-4'-glucuronide	C33H36O22	784.16982	-	knapsack	NA	NA
+FL3FECGS0047	6-Hydroxyluteolin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-3-glucuronide;5-[7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid	C33H36O22	784.16982	165460-14-0	knapsack	NA	NA
+MJ094249	3',4',5,6,7-Pentahydroxyflavone; 7-O-[3-Hydroxy-3-methylglutaroyl-(?6)-?-D-glucopyranoside], 3'-O-?-D-glucuronopyranoside 	C33H36O22	784.169822	NA	MeJP	NA	NA
+MJ094250	4',5,7-Trihydroxyflavone; 7-O-[?-D-Galacturonopyranosyl-(1??)-?-D-galacturonopyranoside], 4'-O-?-D-glucopyranoside 	C33H36O22	784.169822	NA	MeJP	NA	NA
+MJ094251	Dictyodendrilla Alkaloid 	C43H32N2O11S	784.17268	NA	MeJP	NA	NA
+PJ034379	GPPCCCCC 	C27H44N8O9S5	784.1835	NA	PeJP	NA	NA
+MJ094252	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranosyl-(??)-?-D-glucuronopyranoside] 	C37H36O19	784.185078	NA	MeJP	NA	NA
+PJ034380	CCCNNND 	C25H40N10O13S3	784.1939	NA	PeJP	NA	NA
+MJ094253	2,5-Dihydroxybenzyl 1,2,6-trihydroxy-5-oxo-3-cyclohexene-1-carboxylate; 6-Benzoyl, 2'-O-(4,6-di-O-benzoyl-?-D-glucopyranoside) 	C41H36O16	784.200335	NA	MeJP	NA	NA
+PJ034381	SCCNDDE 	C26H40N8O16S2	784.2004	NA	PeJP	NA	NA
+PJ034382	PCCCNDM 	C27H44N8O11S4	784.2013	NA	PeJP	NA	NA
+PJ034383	CCCMYY 	C32H44N6O9S4	784.2053	NA	PeJP	NA	NA
+PJ034384	GSCCDDW 	C30H40N8O13S2	784.2157	NA	PeJP	NA	NA
+PJ034385	APCCCCW 	C31H44N8O8S4	784.2165	NA	PeJP	NA	NA
+PJ034386	GSSSCDDD 	C26H40N8O18S	784.2182	NA	PeJP	NA	NA
+PJ034387	GCNDDMM 	C27H44N8O13S3	784.219	NA	PeJP	NA	NA
+FL3FCACS0024	Spinosin 6'''-(E)-ferulate;Swertisin 6'''-O-feruloyl 2''-O-glucoside	C38H40O18	784.22146	77690-92-7	knapsack	NA	NA
+FL3FCACS0033	Isoswertisin 6'''-O-feruloyl 2''-O-glucoside	C38H40O18	784.22146	319480-85-8	knapsack	NA	NA
+MJ094254	Swertisin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C38H40O18	784.221464	NA	MeJP	NA	NA
+MJ094255	Vitexin; 7-Me ether, 2''-O-[4-hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C38H40O18	784.221464	NA	MeJP	NA	NA
+MJ094256	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(4-Hydroxycinnamoylrutinoside) 	C38H41O18(+)	784.221464	NA	MeJP	NA	NA
+PJ034388	GCCCDER 	C26H44N10O12S3	784.2303	NA	PeJP	NA	NA
+PJ034389	GCNDDDF 	C30H40N8O15S	784.2334	NA	PeJP	NA	NA
+PJ034390	CCNEMW 	C31H44N8O10S3	784.2343	NA	PeJP	NA	NA
+PJ034391	SSCNDEM 	C27H44N8O15S2	784.2368	NA	PeJP	NA	NA
+MJ094257	3,4-Bis(4-hydroxyphenyl)hexane, Bis[4-[bis(2-chloroethyl)amino]phenylacetate] 	C42H48Cl4N2O4	784.236818	NA	MeJP	NA	NA
+PJ034392	SPCCNMM 	C28H48N8O10S4	784.2376	NA	PeJP	NA	NA
+PJ034393	GGSPCCMM 	C28H48N8O10S4	784.2377	NA	PeJP	NA	NA
+PJ034394	GCCNDHH 	C28H40N12O11S2	784.2381	NA	PeJP	NA	NA
+PJ034395	CCCFFY 	C36H44N6O8S3	784.2383	NA	PeJP	NA	NA
+PJ034396	DDDEEY 	C31H40N6O18	784.2399	NA	PeJP	NA	NA
+FL5FCDGA0003	Rhamnazin 3-rhamninoside	C35H44O20	784.24259	52801-24-8	knapsack	NA	NA
+FL5FCDGA0004	Rhamnazin 3-isorhamninoside	C35H44O20	784.24259	52801-23-7	knapsack	NA	NA
+MJ094258	3',5,7-Trihydroxy-3,4'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C35H44O20	784.242593	NA	MeJP	NA	NA
+MJ094259	3,3',4',5,7-Pentahydroxyflavone; 3,7-Di-Me ether, 3'-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C35H44O20	784.242593	NA	MeJP	NA	NA
+MJ094260	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C35H44O20	784.242593	NA	MeJP	NA	NA
+MJ094261	3,4',5-Trihydroxy-3',7-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C35H44O20	784.242593	NA	MeJP	NA	NA
+PJ034397	DEEMMM 	C29H48N6O13S3	784.2442	NA	PeJP	NA	NA
+PJ034398	CCCDRW 	C30H44N10O9S3	784.2455	NA	PeJP	NA	NA
+PJ034399	SSCCDDR 	C26H44N10O14S2	784.248	NA	PeJP	NA	NA
+PJ034400	PTCCCCR 	C27H48N10O9S4	784.2489	NA	PeJP	NA	NA
+PJ034401	GCCMWW 	C35H44N8O7S3	784.2495	NA	PeJP	NA	NA
+PJ034402	GSNDDDY 	C30H40N8O17	784.2512	NA	PeJP	NA	NA
+PJ034403	GSSCDMW 	C31H44N8O12S2	784.252	NA	PeJP	NA	NA
+PJ034404	GGAPCCDY 	C31H44N8O12S2	784.2521	NA	PeJP	NA	NA
+PJ034405	GSSSSDDM 	C27H44N8O17S	784.2545	NA	PeJP	NA	NA
+PJ034406	GSNDMMM 	C28H48N8O12S3	784.2554	NA	PeJP	NA	NA
+PJ034407	ACCYYY 	C36H44N6O10S2	784.2561	NA	PeJP	NA	NA
+PJ034408	DDEEMF 	C32H44N6O15S	784.2586	NA	PeJP	NA	NA
+PJ034409	GCCNNQF 	C30H44N10O11S2	784.2633	NA	PeJP	NA	NA
+PJ034410	SSSSSCNN 	C26H44N10O16S	784.2658	NA	PeJP	NA	NA
+PJ034411	GSCCEMR 	C27H48N10O11S3	784.2666	NA	PeJP	NA	NA
+PJ034412	GGSCCCQK 	C27H48N10O11S3	784.2667	NA	PeJP	NA	NA
+PJ034413	STCCWW 	C35H44N8O9S2	784.2673	NA	PeJP	NA	NA
+PJ034414	SSSSCEW 	C31H44N8O14S	784.2698	NA	PeJP	NA	NA
+PJ034415	SCQMMW 	C32H48N8O9S3	784.2707	NA	PeJP	NA	NA
+PJ034416	SSSSSSDE 	C27H44N8O19	784.2723	NA	PeJP	NA	NA
+PJ034417	SSSNEMM 	C28H48N8O14S2	784.2732	NA	PeJP	NA	NA
+PJ034418	GNNNDDH 	C28H40N12O15	784.2736	NA	PeJP	NA	NA
+PJ034419	GGGNNDDH 	C28H40N12O15	784.2737	NA	PeJP	NA	NA
+PJ034420	SSCYYY 	C36H44N6O12S	784.2738	NA	PeJP	NA	NA
+PJ034421	NQMMMM 	C29H52N8O9S4	784.274	NA	PeJP	NA	NA
+PJ034422	GGGAMMMM 	C29H52N8O9S4	784.2741	NA	PeJP	NA	NA
+PJ034423	GSCNMHH 	C29H44N12O10S2	784.2745	NA	PeJP	NA	NA
+PJ034424	SEEEEY 	C32H44N6O17	784.2763	NA	PeJP	NA	NA
+PJ034425	PDEMMY 	C33H48N6O12S2	784.2772	NA	PeJP	NA	NA
+PJ034426	DDDHHF 	C33H40N10O13	784.2777	NA	PeJP	NA	NA
+MJ094262	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C36H48O19	784.278979	NA	MeJP	NA	NA
+MJ094263	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)] -[4-hydroxy-3-methoxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C36H48O19	784.278979	NA	MeJP	NA	NA
+MJ094264	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)]-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C36H48O19	784.278979	NA	MeJP	NA	NA
+MJ094265	Lagotoside 	C36H48O19	784.278979	NA	MeJP	NA	NA
+MJ094266	Pedicularioside A; 3'',4-Di-Me ether 	C36H48O19	784.278979	NA	MeJP	NA	NA
+MJ094267	Pedicularioside H 	C36H48O19	784.278979	NA	MeJP	NA	NA
+MJ094268	Pedicularioside I 	C36H48O19	784.278979	NA	MeJP	NA	NA
+PJ034427	CNDDRY 	C30H44N10O13S	784.281	NA	PeJP	NA	NA
+PJ034428	GGGGGGGTCY 	C30H44N10O13S	784.2811	NA	PeJP	NA	NA
+PJ034429	SCCMRW 	C31H48N10O8S3	784.2819	NA	PeJP	NA	NA
+PJ034430	CDHHHH 	C31H40N14O9S	784.2824	NA	PeJP	NA	NA
+PJ034431	SSSCDMR 	C27H48N10O13S2	784.2844	NA	PeJP	NA	NA
+PJ034432	GNDMYW 	C35H44N8O11S	784.2851	NA	PeJP	NA	NA
+PJ034433	CNMMMR 	C28H52N10O8S4	784.2853	NA	PeJP	NA	NA
+PJ034434	GSTNDEY 	C31H44N8O16	784.2875	NA	PeJP	NA	NA
+PJ034435	GSSNEEY 	C31H44N8O16	784.2876	NA	PeJP	NA	NA
+PJ034436	GSSSMMW 	C32H48N8O11S2	784.2884	NA	PeJP	NA	NA
+PJ034437	GSSSSTEM 	C28H48N8O16S	784.2909	NA	PeJP	NA	NA
+PJ034438	PDDEFY 	C36H44N6O14	784.2916	NA	PeJP	NA	NA
+PJ034439	GSTQMMM 	C29H52N8O11S3	784.2918	NA	PeJP	NA	NA
+PJ034440	SSSCQHH 	C29H44N12O12S	784.2923	NA	PeJP	NA	NA
+MJ094269	Antibiotic MA 144 U7; 4'''-Ketone 	C40H48O16	784.294235	NA	MeJP	NA	NA
+MJ094270	Cinerubin X 	C40H48O16	784.294235	NA	MeJP	NA	NA
+PJ034441	VDEEMY 	C33H48N6O14S	784.295	NA	PeJP	NA	NA
+PJ034442	PEMMMF 	C34H52N6O9S3	784.2958	NA	PeJP	NA	NA
+PJ034443	PCNEHW 	C34H44N10O10S	784.2963	NA	PeJP	NA	NA
+PJ034444	SSSNNNY 	C30H44N10O15	784.2988	NA	PeJP	NA	NA
+PJ034445	LEMMMM 	C31H56N6O9S4	784.2992	NA	PeJP	NA	NA
+PJ034446	GSPCCRY 	C31H48N10O10S2	784.2997	NA	PeJP	NA	NA
+PJ034447	CQYWW 	C39H44N8O8S	784.3003	NA	PeJP	NA	NA
+PJ034448	SSNEYW 	C35H44N8O13	784.3028	NA	PeJP	NA	NA
+PJ034449	GSTCMMR 	C28H52N10O10S3	784.303	NA	PeJP	NA	NA
+PJ034450	GNMMFW 	C36H48N8O8S2	784.3037	NA	PeJP	NA	NA
+PJ034451	SSSSTMW 	C32H48N8O13S	784.3062	NA	PeJP	NA	NA
+PJ034452	NYYYY 	C40H44N6O11	784.3068	NA	PeJP	NA	NA
+PJ034453	SCKMMW 	C33H52N8O8S3	784.3071	NA	PeJP	NA	NA
+PJ034454	CNQHHF 	C33H44N12O9S	784.3075	NA	PeJP	NA	NA
+PJ034455	SSSSSTTE 	C28H48N8O18	784.3087	NA	PeJP	NA	NA
+PJ034456	SSSDKMM 	C29H52N8O13S2	784.3095	NA	PeJP	NA	NA
+PJ034457	AASSSTMM 	C29H52N8O13S2	784.3096	NA	PeJP	NA	NA
+PJ034458	NDDEHR 	C29H44N12O14	784.31	NA	PeJP	NA	NA
+PJ034459	GGGGGGGTEH 	C29H44N12O14	784.3101	NA	PeJP	NA	NA
+PJ034460	PPDMYY 	C37H48N6O11S	784.3102	NA	PeJP	NA	NA
+PJ034461	NKMMMM 	C30H56N8O8S4	784.3104	NA	PeJP	NA	NA
+PJ034462	GTCCKHH 	C30H48N12O9S2	784.3109	NA	PeJP	NA	NA
+PJ034463	GPCHWW 	C38H44N10O7S	784.3116	NA	PeJP	NA	NA
+PJ034464	VEEMMF 	C34H52N6O11S2	784.3136	NA	PeJP	NA	NA
+PJ034465	ANEEHW 	C34H44N10O12	784.314	NA	PeJP	NA	NA
+PJ034466	GQEEHW 	C34H44N10O12	784.3141	NA	PeJP	NA	NA
+PJ034467	ACCFRW 	C35H48N10O7S2	784.3149	NA	PeJP	NA	NA
+PJ034468	SNDMRY 	C31H48N10O12S	784.3174	NA	PeJP	NA	NA
+PJ034469	GSSYWW 	C39H44N8O10	784.3181	NA	PeJP	NA	NA
+PJ034470	VMMMHH 	C32H52N10O7S3	784.3183	NA	PeJP	NA	NA
+PJ034471	SMHHHH 	C32H44N14O8S	784.3188	NA	PeJP	NA	NA
+PJ034472	SSSSMMR 	C28H52N10O12S2	784.3208	NA	PeJP	NA	NA
+PJ034473	GTQMYW 	C36H48N8O10S	784.3214	NA	PeJP	NA	NA
+PJ034474	GGGGPMFY 	C36H48N8O10S	784.3215	NA	PeJP	NA	NA
+PJ034475	GSSDKEY 	C32H48N8O15	784.3239	NA	PeJP	NA	NA
+PJ034476	LEEEEH 	C32H48N8O15	784.324	NA	PeJP	NA	NA
+PJ034477	VNQMMY 	C33H52N8O10S2	784.3248	NA	PeJP	NA	NA
+PJ034478	GDDHRW 	C33H44N12O11	784.3253	NA	PeJP	NA	NA
+PJ034479	SSSSSSLM 	C29H52N8O15S	784.3273	NA	PeJP	NA	NA
+PJ034480	PVDEYY 	C37H48N6O13	784.328	NA	PeJP	NA	NA
+PJ034481	GSTKMMM 	C30H56N8O10S3	784.3282	NA	PeJP	NA	NA
+PJ034482	SSSCKHH 	C30H48N12O11S	784.3286	NA	PeJP	NA	NA
+PJ034483	GSPCEHR 	C30H48N12O11S	784.3287	NA	PeJP	NA	NA
+PJ034484	PPMMFY 	C38H52N6O8S2	784.3288	NA	PeJP	NA	NA
+PJ034485	QEHWW 	C38H44N10O9	784.3293	NA	PeJP	NA	NA
+PJ034486	TLEEMY 	C34H52N6O13S	784.3313	NA	PeJP	NA	NA
+PJ034487	PLMMMY 	C35H56N6O8S3	784.3322	NA	PeJP	NA	NA
+PJ034488	GTCRYW 	C35H48N10O9S	784.3327	NA	PeJP	NA	NA
+PJ034489	GSSSERY 	C31H48N10O14	784.3352	NA	PeJP	NA	NA
+PJ034490	GQMMRY 	C32H52N10O9S2	784.336	NA	PeJP	NA	NA
+PJ034491	GGAMMRY 	C32H52N10O9S2	784.3361	NA	PeJP	NA	NA
+PJ034492	GSPNHHH 	C32H44N14O10	784.3365	NA	PeJP	NA	NA
+PJ034493	CKYWW 	C40H48N8O7S	784.3367	NA	PeJP	NA	NA
+PJ034494	SSDKYW 	C36H48N8O12	784.3392	NA	PeJP	NA	NA
+PJ034495	NNNMHR 	C29H48N14O10S	784.3399	NA	PeJP	NA	NA
+PJ034496	ACKMFW 	C37H52N8O7S2	784.3401	NA	PeJP	NA	NA
+PJ034497	SQKEMY 	C33H52N8O12S	784.3426	NA	PeJP	NA	NA
+PJ034498	PPDFFY 	C41H48N6O10	784.3432	NA	PeJP	NA	NA
+PJ034499	SPCHRW 	C34H48N12O8S	784.3439	NA	PeJP	NA	NA
+PJ034500	AHWWW 	C42H44N10O6	784.3446	NA	PeJP	NA	NA
+PJ034501	SSSTTTTT 	C29H52N8O17	784.3451	NA	PeJP	NA	NA
+PJ034502	SSTTKMM 	C30H56N8O12S2	784.3459	NA	PeJP	NA	NA
+PJ034503	SQEEHR 	C30H48N12O13	784.3464	NA	PeJP	NA	NA
+PJ034504	GGGGGGGGGGPV 	C30H48N12O13	784.3465	NA	PeJP	NA	NA
+PJ034505	PVEMFY 	C38H52N6O10S	784.3466	NA	PeJP	NA	NA
+MJ094271	Tremasterol A 	C35H61O15PS	784.346878	NA	MeJP	NA	NA
+PJ034506	GCMRRY 	C31H52N12O8S2	784.3473	NA	PeJP	NA	NA
+PJ034507	VLEMMY 	C35H56N6O10S2	784.35	NA	PeJP	NA	NA
+PJ034508	SSSRYW 	C35H48N10O11	784.3504	NA	PeJP	NA	NA
+PJ034509	GGGGASPPW 	C35H48N10O11	784.3505	NA	PeJP	NA	NA
+PJ034510	AHHHHF 	C36H44N14O7	784.3518	NA	PeJP	NA	NA
+PJ034511	STQMRY 	C32H52N10O11S	784.3538	NA	PeJP	NA	NA
+PJ034512	ATHFFY 	C40H48N8O9	784.3544	NA	PeJP	NA	NA
+PJ034513	APPEWW 	C40H48N8O9	784.3545	NA	PeJP	NA	NA
+PJ034514	GSSNQHR 	C29H48N14O12	784.3576	NA	PeJP	NA	NA
+PJ034515	SDDHRR 	C29H48N14O12	784.3577	NA	PeJP	NA	NA
+PJ034516	GTKMYW 	C37H52N8O9S	784.3578	NA	PeJP	NA	NA
+PJ034517	GSTTKEY 	C33H52N8O14	784.3603	NA	PeJP	NA	NA
+PJ034518	VNKMMY 	C34H56N8O9S2	784.3612	NA	PeJP	NA	NA
+PJ034519	GTEHRW 	C34H48N12O10	784.3617	NA	PeJP	NA	NA
+PJ034520	PPMFFF 	C42H52N6O7S	784.3619	NA	PeJP	NA	NA
+PJ034521	PTLEYY 	C38H52N6O12	784.3643	NA	PeJP	NA	NA
+PJ034522	VVEEFY 	C38H52N6O12	784.3644	NA	PeJP	NA	NA
+PJ034523	STCRRY 	C31H52N12O10S	784.365	NA	PeJP	NA	NA
+PJ034524	GGVEMHR 	C31H52N12O10S	784.3651	NA	PeJP	NA	NA
+PJ034525	PLMMFF 	C39H56N6O7S2	784.3652	NA	PeJP	NA	NA
+PJ034526	KEHWW 	C39H48N10O8	784.3657	NA	PeJP	NA	NA
+MJ094272	14,15-Epoxy-1,3,7,11,12-pentahydroxymeliacan-28-oic acid, 1-Tigloyl, 12-(2-methylpropanoyl), 3,7,11-tri-Ac, Me ester 	C42H56O14	784.367006	NA	MeJP	NA	NA
+PJ034527	LLMMMF 	C36H60N6O7S3	784.3686	NA	PeJP	NA	NA
+PJ034528	SPKMHW 	C36H52N10O8S	784.3691	NA	PeJP	NA	NA
+PJ034529	SSSTTFR 	C32H52N10O13	784.3715	NA	PeJP	NA	NA
+PJ034530	GSTTTRY 	C32H52N10O13	784.3716	NA	PeJP	NA	NA
+PJ034531	GKMMRY 	C33H56N10O8S2	784.3724	NA	PeJP	NA	NA
+PJ034532	VQQHHH 	C33H48N14O9	784.3729	NA	PeJP	NA	NA
+PJ034533	STTKYW 	C37H52N8O11	784.3756	NA	PeJP	NA	NA
+PJ034534	GEMHRR 	C30H52N14O9S	784.3763	NA	PeJP	NA	NA
+PJ034535	THRWW 	C38H48N12O7	784.3769	NA	PeJP	NA	NA
+PJ034536	SKKEMY 	C34H56N8O11S	784.3789	NA	PeJP	NA	NA
+PJ034537	TDKKMY 	C34H56N8O11S	784.379	NA	PeJP	NA	NA
+PJ034538	PPVFYY 	C42H52N6O9	784.3796	NA	PeJP	NA	NA
+PJ034539	GVMHRW 	C35H52N12O7S	784.3803	NA	PeJP	NA	NA
+PJ034540	SKEEHR 	C31H52N12O12	784.3828	NA	PeJP	NA	NA
+PJ034541	PVLMYY 	C39H56N6O9S	784.383	NA	PeJP	NA	NA
+PJ034542	AQHHHR 	C32H48N16O8	784.3841	NA	PeJP	NA	NA
+PJ034543	GAAHHHR 	C32H48N16O8	784.3842	NA	PeJP	NA	NA
+PJ034544	PPTERW 	C36H52N10O10	784.3868	NA	PeJP	NA	NA
+MJ094273	16-Hydroxypregna-4,17(20)-dien-3-one, 16-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C39H60O16	784.388135	NA	MeJP	NA	NA
+MJ094274	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2,3-di-O-methyl-?-D-glucopyranoside] 	C39H60O16	784.388135	NA	MeJP	NA	NA
+3643	NA	YPFGFR~	784.389	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ034545	STKMRY 	C33H56N10O10S	784.3902	NA	PeJP	NA	NA
+PJ034546	SPPLWW 	C41H52N8O8	784.3908	NA	PeJP	NA	NA
+PJ034547	MHRRW 	C34H52N14O6S	784.3915	NA	PeJP	NA	NA
+PJ034548	STEHRR 	C30H52N14O11	784.394	NA	PeJP	NA	NA
+PJ034549	GGGGPERR 	C30H52N14O11	784.3941	NA	PeJP	NA	NA
+PJ034550	AAPPLMW 	C38H56N8O8S	784.3942	NA	PeJP	NA	NA
+PJ034551	SSSTLKY 	C34H56N8O13	784.3967	NA	PeJP	NA	NA
+PJ034552	CLKKMY 	C35H60N8O8S2	784.3976	NA	PeJP	NA	NA
+PJ034553	QRRYY 	C35H52N12O9	784.398	NA	PeJP	NA	NA
+PJ034554	SSLHRW 	C35H52N12O9	784.3981	NA	PeJP	NA	NA
+PJ034555	VVLEYY 	C39H56N6O11	784.4007	NA	PeJP	NA	NA
+PJ034556	PPEMRR 	C32H56N12O9S	784.4014	NA	PeJP	NA	NA
+PJ034557	APKHFW 	C40H52N10O7	784.4021	NA	PeJP	NA	NA
+PJ034558	PPVMRW 	C37H56N10O7S	784.4055	NA	PeJP	NA	NA
+PJ034559	SSPPLER 	C33H56N10O12	784.4079	NA	PeJP	NA	NA
+PJ034560	AAPLEER 	C33H56N10O12	784.408	NA	PeJP	NA	NA
+PJ034561	GPNRRW 	C34H52N14O8	784.4093	NA	PeJP	NA	NA
+MJ094275	Pseudostellarin F 	C38H56N8O10	784.41194	NA	MeJP	NA	NA
+PJ034562	PLLQEW 	C38H56N8O10	784.412	NA	PeJP	NA	NA
+PJ034563	SVMHRR 	C31H56N14O8S	784.4127	NA	PeJP	NA	NA
+PJ034564	APPLKEM 	C35H60N8O10S	784.4153	NA	PeJP	NA	NA
+PJ034565	PPVVDKM 	C35H60N8O10S	784.4154	NA	PeJP	NA	NA
+PJ034566	PVLFFY 	C43H56N6O8	784.416	NA	PeJP	NA	NA
+PJ034567	PVEERR 	C32H56N12O11	784.4192	NA	PeJP	NA	NA
+PJ034568	VLLMFY 	C40H60N6O8S	784.4194	NA	PeJP	NA	NA
+PJ034569	AKHHHR 	C33H52N16O7	784.4205	NA	PeJP	NA	NA
+PJ034570	PVVERW 	C37H56N10O9	784.4232	NA	PeJP	NA	NA
+MJ094276	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid, 3-O-?-D-Glucopyranoside, 26-O-?-D-glucopyranosyl ester 	C40H64O15	784.424521	NA	MeJP	NA	NA
+PJ034571	APPTLMR 	C34H60N10O9S	784.4266	NA	PeJP	NA	NA
+PJ034572	APLLWW 	C42H56N8O7	784.4272	NA	PeJP	NA	NA
+PJ034573	PNDKRR 	C31H56N14O10	784.4304	NA	PeJP	NA	NA
+PJ034574	CLKKFF 	C39H60N8O7S	784.4306	NA	PeJP	NA	NA
+PJ034575	GPLLKEE 	C35H60N8O12	784.4331	NA	PeJP	NA	NA
+PJ034576	APQKRW 	C36H56N12O8	784.4344	NA	PeJP	NA	NA
+PJ034577	GAAPKRW 	C36H56N12O8	784.4345	NA	PeJP	NA	NA
+PJ034578	TLLLYY 	C40H60N6O10	784.4371	NA	PeJP	NA	NA
+PJ034579	TLKMHR 	C33H60N12O8S	784.4378	NA	PeJP	NA	NA
+MJ094277	Antibiotic VM 44866; 13?-(2-Methylbutanoyloxy), 23?-(2-methylpropanoyloxy), 5-Me ether 	C44H64O12	784.439777	NA	MeJP	NA	NA
+PJ034580	SPNRRR 	C30H56N16O9	784.4417	NA	PeJP	NA	NA
+PJ034581	GPTLLER 	C34H60N10O11	784.4443	NA	PeJP	NA	NA
+PJ034582	GGGPLKKE 	C34H60N10O11	784.4444	NA	PeJP	NA	NA
+PJ034583	GLHFRR 	C35H56N14O7	784.4457	NA	PeJP	NA	NA
+PJ034584	ALKKYY 	C39H60N8O9	784.4483	NA	PeJP	NA	NA
+PJ034585	PLLKEW 	C39H60N8O9	784.4484	NA	PeJP	NA	NA
+PJ034586	SPPLLKM 	C36H64N8O9S	784.4517	NA	PeJP	NA	NA
+PJ034587	VLLFFF 	C44H60N6O7	784.4524	NA	PeJP	NA	NA
+PJ034588	PQKKER 	C33H60N12O10	784.4556	NA	PeJP	NA	NA
+PJ034589	PTLLRW 	C38H60N10O8	784.4596	NA	PeJP	NA	NA
+C08924	Astragaloside III	C41H68O14	784.4609	NA	KEGG	NA	NA
+MJ094278	12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094279	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 25-O-?-D-glucopyranoside 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094280	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094281	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094282	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094283	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094284	20,25-Epoxycycloartane-3,6,16,24-tetrol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside 	C41H68O14	784.460906	NA	MeJP	NA	NA
+MJ094285	3,20,25,30-Tetrahydroxydammar-23-en-16-one, 3-O-?-L-Arabinopyranoside, 30-O-?-D-glucopyranoside 	C41H68O14	784.460906	NA	MeJP	NA	NA
+PJ034590	GPVLLMR 	C35H64N10O8S	784.463	NA	PeJP	NA	NA
+PJ034591	PTQKRR 	C32H60N14O9	784.4668	NA	PeJP	NA	NA
+PJ034592	SPVLLKE 	C36H64N8O11	784.4695	NA	PeJP	NA	NA
+PJ034593	APKKRW 	C37H60N12O7	784.4708	NA	PeJP	NA	NA
+PJ034594	PLLMRR 	C34H64N12O7S	784.4742	NA	PeJP	NA	NA
+PJ034595	GLQRRR 	C31H60N16O8	784.478	NA	PeJP	NA	NA
+PJ034596	GGALRRR 	C31H60N16O8	784.4781	NA	PeJP	NA	NA
+PJ034597	AALLLER 	C35H64N10O10	784.4807	NA	PeJP	NA	NA
+PJ034598	LLLLQW 	C40H64N8O8	784.4847	NA	PeJP	NA	NA
+PJ034599	GALLLLW 	C40H64N8O8	784.4848	NA	PeJP	NA	NA
+PJ034600	APLLLKM 	C37H68N8O8S	784.4881	NA	PeJP	NA	NA
+PJ034601	AARRRR 	C30H60N18O7	784.4893	NA	PeJP	NA	NA
+PJ034602	VLLERR 	C34H64N12O9	784.492	NA	PeJP	NA	NA
+C11280	Dolastatin 10	C42H68N6O6S	784.4921	NA	KEGG	NA	NA
+MJ094286	Dolastatin 10 	C42H68N6O6S	784.492104	NA	MeJP	NA	NA
+PJ034603	VVLLRW 	C39H64N10O7	784.496	NA	PeJP	NA	NA
+MJ094287	Antibiotic CP 51532 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094288	Cycloartane-3,11,16,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094289	Dammar-24-ene-2,3,12,20-tetrol, 20-O-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094290	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094291	Dammar-24-ene-3,12,20-triol, 3,20-Di-O-?-D-glucopyranoside 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094292	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094293	Dammar-24-ene-3,20,26-triol, 3,26-Di-O-?-D-glucopyranoside 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094294	Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O13	784.497292	NA	MeJP	NA	NA
+MJ094295	Dammar-24-ene-3,6,20,27-tetrol, 20-O-?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside 	C42H72O13	784.497292	NA	MeJP	NA	NA
+PJ034604	PTKKRR 	C33H64N14O8	784.5032	NA	PeJP	NA	NA
+PJ034605	GLLLLKE 	C37H68N8O10	784.5059	NA	PeJP	NA	NA
+PJ034606	GLKRRR 	C32H64N16O7	784.5144	NA	PeJP	NA	NA
+PJ034607	GTLLLLR 	C36H68N10O9	784.5171	NA	PeJP	NA	NA
+PJ034608	LLLLKW 	C41H68N8O7	784.5211	NA	PeJP	NA	NA
+PJ034609	LLQKKR 	C35H68N12O8	784.5283	NA	PeJP	NA	NA
+PJ034610	VVKKRR 	C34H68N14O7	784.5396	NA	PeJP	NA	NA
+PJ034611	SVLLLLK 	C38H72N8O9	784.5423	NA	PeJP	NA	NA
+PJ034612	GVLLKKK 	C37H72N10O8	784.5535	NA	PeJP	NA	NA
+PJ034613	LLKKKR 	C36H72N12O7	784.5647	NA	PeJP	NA	NA
+EUR1088	SM(d18:1/18:3) [M-H+acetate]-	C41H77N2O6P	784.573026	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1088	SM(d18:1/18:3) [M-H+acetate]-	C41H77N2O6P	784.573026	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1088	SM(d18:1/18:3) [M-H+acetate]-	C41H77N2O6P	784.573026	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1088	SM(d18:1/18:3) [M-H+acetate]-	C41H77N2O6P	784.573026	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12104	SM(d18:1/22:1(13Z))	C45H89N2O6P	784.645813	NA	HMDB2010	NA	NA
+EUR1104	SM(d18:1/22:1) monoisotopic mass 	C45H89N2O6P	784.645826	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1104	SM(d18:1/22:1) monoisotopic mass 	C45H89N2O6P	784.645826	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1104	SM(d18:1/22:1) monoisotopic mass 	C45H89N2O6P	784.645826	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1104	SM(d18:1/22:1) monoisotopic mass 	C45H89N2O6P	784.645826	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094296	29-(2,3,4,5-Tetrahydroxypentyl)hopane, 35-Deoxy, 35-(N-8Z-hexadecenoylamino) 	C51H94NO4	784.718285	NA	MeJP	NA	NA
+MJ094297	7,13-Labdadiene-15,17-diol, 15-(32-Hydroxydotriacontanoyl) 	C52H96O4	784.730861	NA	MeJP	NA	NA
+MJ094298	7,13-Labdadiene-3,15-diol, 15-(32-Hydroxydotriacontanoyl) 	C52H96O4	784.730861	NA	MeJP	NA	NA
+MJ094299	Amphiasterin A4; 36',37'-Didehydro(E-) 	C53H100O3	784.767247	NA	MeJP	NA	NA
+PJ034614	CCCCCDH 	C25H39N9O10S5	785.1424	NA	PeJP	NA	NA
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR351	Flavine adénine dinucléotide F1	NA	785.156475	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR351	Flavine adenine dinucleotide F1	NA	785.156475	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR057	flavin adenine dinucleotide	C27H33N9O15P2	785.1571	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01248	FAD	C27H33N9O15P2	785.1571	http://www.hmdb.ca/metabolites/HMDB01248	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR057	flavin adenine dinucleotide	C27H33N9O15P2	785.1571	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR057	flavin adenine dinucleotide	C27H33N9O15P2	785.1571	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB01248	FAD	C27H33N9O15P2	785.1571	http://www.hmdb.ca/metabolites/HMDB01248	HMDB	NA	NA
+EUR057	flavin adenine dinucleotide	C27H33N9O15P2	785.1571	Wishlist	Inhousejuil11	NA	NA
+C00016	FAD	C27H33N9O15P2	785.1571	NA	KEGG	NA	NA
+C00017	Protein	C2H4NO2R	785.1571	NA	KEGG	NA	NA
+HMDB01248	FAD	C27H33N9O15P2	785.1571	http://www.hmdb.ca/metabolites/HMDB01248	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01248	FAD	C27H33N9O15P2	785.1571	HMDB01248	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01248	FAD	C27H33N9O15P2	785.157104	NA	HMDB2010	NA	NA
+MJ094300	Flavine adenine dinucleotide 	C27H33N9O15P2	785.157134	NA	MeJP	NA	NA
+MJ094301	FAD 	C27H33N9O15P2	785.157134	NA	MeJP	NA	NA
+MetaCyc04136	FAD [flavin adenine dinucleotide oxidized;flavin adenine dinucleotide;flavitan;]	C27H33N9O15P2	785.157134	146-14-5	metacyc	NA	NA
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	HMDB	NA	NA
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	Inhouse_PFEM	NA	NA
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR057	Flavin adenine dinucleotide	C27H33N9O15P2	785.157142	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+PJ034615	CCCNNDD 	C25H39N9O14S3	785.1779	NA	PeJP	NA	NA
+PJ034616	SCCCCMH 	C26H43N9O9S5	785.1788	NA	PeJP	NA	NA
+PJ034617	SCCDDDE 	C26H39N7O17S2	785.1844	NA	PeJP	NA	NA
+PJ034618	PCCCDDM 	C27H43N7O12S4	785.1853	NA	PeJP	NA	NA
+PJ034619	GSPCCCCN 	C26H43N9O11S4	785.1965	NA	PeJP	NA	NA
+PJ034620	VCCCDDE 	C27H43N7O14S3	785.203	NA	PeJP	NA	NA
+PJ034621	GCDDDMM 	C27H43N7O14S3	785.2031	NA	PeJP	NA	NA
+PJ034622	ACCCCHF 	C30H43N9O8S4	785.2118	NA	PeJP	NA	NA
+PJ034623	SCCNNDM 	C26H43N9O13S3	785.2143	NA	PeJP	NA	NA
+PJ034624	GCDDDDF 	C30H39N7O16S	785.2174	NA	PeJP	NA	NA
+PJ034625	CCDEMW 	C31H43N7O11S3	785.2183	NA	PeJP	NA	NA
+PJ034626	SSCDDEM 	C27H43N7O16S2	785.2208	NA	PeJP	NA	NA
+PJ034627	SPCCDMM 	C28H47N7O11S4	785.2217	NA	PeJP	NA	NA
+PJ034628	GCCDDHH 	C28H39N11O12S2	785.2221	NA	PeJP	NA	NA
+FL7AAIGL0014	Malvidin 3-p-coumarylrutinoside	C38H41O18	785.22928	757174-16-6	knapsack	NA	NA
+PJ034629	GSCCCQW 	C30H43N9O10S3	785.2295	NA	PeJP	NA	NA
+PJ034630	GSSSCCNE 	C26H43N9O15S2	785.232	NA	PeJP	NA	NA
+PJ034631	GCCNQMM 	C27H47N9O10S4	785.2329	NA	PeJP	NA	NA
+PJ034632	GSDDDDY 	C30H39N7O18	785.2352	NA	PeJP	NA	NA
+PJ034633	GPCCDEY 	C31H43N7O13S2	785.2361	NA	PeJP	NA	NA
+PJ034634	GSDDMMM 	C28H47N7O13S3	785.2394	NA	PeJP	NA	NA
+PJ034635	APCCMMM 	C29H51N7O8S5	785.2403	NA	PeJP	NA	NA
+PJ034636	SPCCCHH 	C29H43N11O9S3	785.2408	NA	PeJP	NA	NA
+PJ034637	GCCCNMR 	C26H47N11O9S4	785.2441	NA	PeJP	NA	NA
+PJ034638	GGGCCCMR 	C26H47N11O9S4	785.2442	NA	PeJP	NA	NA
+PJ034639	SSSCCNW 	C30H43N9O12S2	785.2473	NA	PeJP	NA	NA
+PJ034640	SSSSSCND 	C26H43N9O17S	785.2498	NA	PeJP	NA	NA
+PJ034641	SSCNNMM 	C27H47N9O12S3	785.2506	NA	PeJP	NA	NA
+PJ034642	GGSSCNMM 	C27H47N9O12S3	785.2507	NA	PeJP	NA	NA
+PJ034643	PCCDYW 	C35H43N7O10S2	785.2513	NA	PeJP	NA	NA
+PJ034644	NDDEMY 	C31H43N7O15S	785.2538	NA	PeJP	NA	NA
+PJ034645	SCEMMW 	C32H47N7O10S3	785.2547	NA	PeJP	NA	NA
+PJ034646	SSSDEMM 	C28H47N7O15S2	785.2572	NA	PeJP	NA	NA
+PJ034647	GNNDDDH 	C28H39N11O16	785.2577	NA	PeJP	NA	NA
+PJ034648	DQMMMM 	C29H51N7O10S4	785.258	NA	PeJP	NA	NA
+PJ034649	NEMMMM 	C29H51N7O10S4	785.2581	NA	PeJP	NA	NA
+PJ034650	GSCDMHH 	C29H43N11O11S2	785.2585	NA	PeJP	NA	NA
+PJ034651	SSCCCQR 	C26H47N11O11S3	785.2619	NA	PeJP	NA	NA
+PJ034652	CCNNFW 	C34H43N9O9S2	785.2625	NA	PeJP	NA	NA
+PJ034653	GGGGCCFW 	C34H43N9O9S2	785.2626	NA	PeJP	NA	NA
+PJ034654	GSCNNEY 	C30H43N9O14S	785.265	NA	PeJP	NA	NA
+PJ034655	CDDDRY 	C30H43N9O14S	785.2651	NA	PeJP	NA	NA
+PJ034656	GSCCCKW 	C31H47N9O9S3	785.2659	NA	PeJP	NA	NA
+PJ034657	GSSSSCQM 	C27H47N9O14S2	785.2684	NA	PeJP	NA	NA
+PJ034658	GDDMYW 	C35H43N7O12S	785.2691	NA	PeJP	NA	NA
+PJ034659	CDMMMR 	C28H51N9O9S4	785.2693	NA	PeJP	NA	NA
+PJ034660	PCCMFW 	C36H47N7O7S3	785.2699	NA	PeJP	NA	NA
+PJ034661	GSSDEEY 	C31H43N7O17	785.2716	NA	PeJP	NA	NA
+PJ034662	GSPCEMY 	C32H47N7O12S2	785.2724	NA	PeJP	NA	NA
+PJ034663	GMMMMW 	C33H51N7O7S4	785.2733	NA	PeJP	NA	NA
+PJ034664	TCCHHW 	C33H43N11O8S2	785.2738	NA	PeJP	NA	NA
+PJ034665	GSTEMMM 	C29H51N7O12S3	785.2758	NA	PeJP	NA	NA
+PJ034666	SSSCEHH 	C29H43N11O13S	785.2763	NA	PeJP	NA	NA
+PJ034667	CQMMHH 	C30H47N11O8S3	785.2772	NA	PeJP	NA	NA
+PJ034668	GSSSSCCR 	C26H47N11O13S2	785.2797	NA	PeJP	NA	NA
+PJ034669	SCNNYW 	C34H43N9O11S	785.2803	NA	PeJP	NA	NA
+PJ034670	ACCCCKR 	C27H51N11O8S4	785.2805	NA	PeJP	NA	NA
+PJ034671	SSSNNDY 	C30H43N9O16	785.2828	NA	PeJP	NA	NA
+PJ034672	NNNMMY 	C31H47N9O11S2	785.2837	NA	PeJP	NA	NA
+PJ034673	CEYWW 	C39H43N7O9S	785.2843	NA	PeJP	NA	NA
+PJ034674	SSSSSSNM 	C27H47N9O16S	785.2862	NA	PeJP	NA	NA
+PJ034675	SSDEYW 	C35H43N7O14	785.2868	NA	PeJP	NA	NA
+PJ034676	SSCCQKM 	C28H51N9O11S3	785.287	NA	PeJP	NA	NA
+PJ034677	GGSTCCKM 	C28H51N9O11S3	785.2871	NA	PeJP	NA	NA
+PJ034678	GCNNNQH 	C28H43N13O12S	785.2875	NA	PeJP	NA	NA
+PJ034679	GGGGGGGGACH 	C28H43N13O12S	785.2876	NA	PeJP	NA	NA
+PJ034680	SPCMYW 	C36H47N7O9S2	785.2877	NA	PeJP	NA	NA
+PJ034681	CCMHHR 	C29H47N13O7S3	785.2884	NA	PeJP	NA	NA
+PJ034682	SQEEMY 	C32H47N7O14S	785.2902	NA	PeJP	NA	NA
+PJ034683	DYYYY 	C40H43N5O12	785.2908	NA	PeJP	NA	NA
+PJ034684	STMMMW 	C33H51N7O9S3	785.2911	NA	PeJP	NA	NA
+PJ034685	CNEHHF 	C33H43N11O10S	785.2915	NA	PeJP	NA	NA
+PJ034686	SSTTEMM 	C29H51N7O14S2	785.2936	NA	PeJP	NA	NA
+PJ034687	GSNNEEH 	C29H43N11O15	785.294	NA	PeJP	NA	NA
+PJ034688	DDDEHR 	C29H43N11O15	785.2941	NA	PeJP	NA	NA
+PJ034689	DKMMMM 	C30H55N7O9S4	785.2944	NA	PeJP	NA	NA
+PJ034690	CCNQRY 	C30H47N11O10S2	785.2949	NA	PeJP	NA	NA
+PJ034691	GEEEHW 	C34H43N9O13	785.2981	NA	PeJP	NA	NA
+PJ034692	SSCCCKR 	C27H51N11O10S3	785.2983	NA	PeJP	NA	NA
+PJ034693	SDDMRY 	C31H47N9O13S	785.3014	NA	PeJP	NA	NA
+PJ034694	GGGSPPPCD 	C31H47N9O13S	785.3015	NA	PeJP	NA	NA
+PJ034695	GDDFFW 	C39H43N7O11	785.3021	NA	PeJP	NA	NA
+PJ034696	APPCMMH 	C32H51N9O8S3	785.3023	NA	PeJP	NA	NA
+PJ034697	GSSSSSSST 	C27H47N9O18	785.3039	NA	PeJP	NA	NA
+PJ034698	GSSSSCKM 	C28H51N9O13S2	785.3048	NA	PeJP	NA	NA
+PJ034699	SSNNNNH 	C28H43N13O14	785.3053	NA	PeJP	NA	NA
+PJ034700	ASEMYW 	C36H47N7O11S	785.3054	NA	PeJP	NA	NA
+PJ034701	GTEMYW 	C36H47N7O11S	785.3055	NA	PeJP	NA	NA
+PJ034702	SMMMMR 	C29H55N9O8S4	785.3057	NA	PeJP	NA	NA
+PJ034703	GPCCNHR 	C29H47N13O9S2	785.3061	NA	PeJP	NA	NA
+PJ034704	GGGPCCHR 	C29H47N13O9S2	785.3062	NA	PeJP	NA	NA
+PJ034705	GCHHFW 	C37H43N11O7S	785.3068	NA	PeJP	NA	NA
+PJ034706	ASSTEEY 	C32H47N7O16	785.3079	NA	PeJP	NA	NA
+PJ034707	GSTTEEY 	C32H47N7O16	785.308	NA	PeJP	NA	NA
+PJ034708	VNEMMY 	C33H51N7O11S2	785.3088	NA	PeJP	NA	NA
+PJ034709	SNNEHW 	C33H43N11O12	785.3093	NA	PeJP	NA	NA
+PJ034710	MFYYY 	C41H47N5O9S	785.3095	NA	PeJP	NA	NA
+PJ034711	SSSLMMM 	C30H55N7O11S3	785.3122	NA	PeJP	NA	NA
+PJ034712	GSSCNRY 	C30H47N11O12S	785.3127	NA	PeJP	NA	NA
+PJ034713	EEHWW 	C38H43N9O10	785.3133	NA	PeJP	NA	NA
+PJ034714	CKMMHH 	C31H51N11O7S3	785.3135	NA	PeJP	NA	NA
+PJ034715	SPEMHW 	C35H47N9O10S	785.3167	NA	PeJP	NA	NA
+PJ034716	SSSSQQY 	C31H47N9O15	785.3192	NA	PeJP	NA	NA
+PJ034717	GEMMRY 	C32H51N9O10S2	785.3201	NA	PeJP	NA	NA
+PJ034718	GSPDHHH 	C32H43N13O11	785.3205	NA	PeJP	NA	NA
+PJ034719	TMYWW 	C40H47N7O8S	785.3207	NA	PeJP	NA	NA
+PJ034720	SSSSSTCK 	C28H51N9O15S	785.3226	NA	PeJP	NA	NA
+PJ034721	STTEYW 	C36H47N7O13	785.3232	NA	PeJP	NA	NA
+PJ034722	SSCCKKM 	C29H55N9O10S3	785.3234	NA	PeJP	NA	NA
+PJ034723	NNDMHR 	C29H47N13O11S	785.3239	NA	PeJP	NA	NA
+PJ034724	GVMMYW 	C37H51N7O8S2	785.3241	NA	PeJP	NA	NA
+PJ034725	GSNHWW 	C37H43N11O9	785.3246	NA	PeJP	NA	NA
+MJ094302	Betaclamycin M; 4C-Ketone 	C40H51NO15	785.325869	NA	MeJP	NA	NA
+MJ094303	Streptovaricin; Streptovaricin G 	C40H51NO15	785.325869	NA	MeJP	NA	NA
+MJ094304	Trisarubinicol 	C40H51NO15	785.325869	NA	MeJP	NA	NA
+PJ034726	SKEEMY 	C33H51N7O13S	785.3266	NA	PeJP	NA	NA
+PJ034727	VQMMMF 	C34H55N7O8S3	785.3275	NA	PeJP	NA	NA
+PJ034728	GQQMHW 	C34H47N11O9S	785.3279	NA	PeJP	NA	NA
+PJ034729	TTTTTMM 	C30H55N7O13S2	785.3299	NA	PeJP	NA	NA
+PJ034730	SEEEHR 	C30H47N11O14	785.3304	NA	PeJP	NA	NA
+PJ034731	GGGGGGAPQE 	C30H47N11O14	785.3305	NA	PeJP	NA	NA
+PJ034732	CCNKRY 	C31H51N11O9S2	785.3313	NA	PeJP	NA	NA
+PJ034733	NNQHHH 	C31H43N15O10	785.3318	NA	PeJP	NA	NA
+PJ034734	PPCHFW 	C39H47N9O7S	785.332	NA	PeJP	NA	NA
+PJ034735	SVEEHW 	C35H47N9O12	785.3344	NA	PeJP	NA	NA
+PJ034736	VTDEHW 	C35H47N9O12	785.3345	NA	PeJP	NA	NA
+PJ034737	MMRYW 	C36H51N9O7S2	785.3353	NA	PeJP	NA	NA
+PJ034738	STEMRY 	C32H51N9O12S	785.3378	NA	PeJP	NA	NA
+PJ034739	GPTYYW 	C40H47N7O10	785.3385	NA	PeJP	NA	NA
+PJ034740	AMMMFR 	C33H55N9O7S3	785.3387	NA	PeJP	NA	NA
+PJ034741	GCQHRW 	C33H47N13O8S	785.3392	NA	PeJP	NA	NA
+PJ034742	GSSNEHR 	C29H47N13O13	785.3417	NA	PeJP	NA	NA
+PJ034743	SSLMYW 	C37H51N7O10S	785.3418	NA	PeJP	NA	NA
+PJ034744	GGVEMFF 	C37H51N7O10S	785.3419	NA	PeJP	NA	NA
+PJ034745	FFFYY 	C45H47N5O8	785.3425	NA	PeJP	NA	NA
+PJ034746	SSSTLEY 	C33H51N7O15	785.3443	NA	PeJP	NA	NA
+PJ034747	PPVTDEE 	C33H51N7O15	785.3444	NA	PeJP	NA	NA
+PJ034748	VDKMMY 	C34H55N7O10S2	785.3452	NA	PeJP	NA	NA
+PJ034749	SNDKHW 	C34H47N11O11	785.3457	NA	PeJP	NA	NA
+PJ034750	AATQQMH 	C31H51N11O11S	785.349	NA	PeJP	NA	NA
+PJ034751	VDEMHR 	C31H51N11O11S	785.3491	NA	PeJP	NA	NA
+PJ034752	SPPNWW 	C39H47N9O9	785.3497	NA	PeJP	NA	NA
+PJ034753	PCHHHR 	C32H47N15O7S	785.3504	NA	PeJP	NA	NA
+MJ094305	Rifaximin 	C43H51N3O11	785.352359	NA	MeJP	NA	NA
+PJ034754	ALEMHW 	C36H51N9O9S	785.3531	NA	PeJP	NA	NA
+PJ034755	TFFWW 	C44H47N7O7	785.3537	NA	PeJP	NA	NA
+PJ034756	SSSSQKY 	C32H51N9O14	785.3556	NA	PeJP	NA	NA
+PJ034757	SVMMRY 	C33H55N9O9S2	785.3564	NA	PeJP	NA	NA
+PJ034758	GGCKKMY 	C33H55N9O9S2	785.3565	NA	PeJP	NA	NA
+PJ034759	SSNHRW 	C33H47N13O10	785.3569	NA	PeJP	NA	NA
+PJ034760	GVMFFW 	C41H51N7O7S	785.3571	NA	PeJP	NA	NA
+PJ034761	SPKEYY 	C37H51N7O12	785.3596	NA	PeJP	NA	NA
+PJ034762	SQQMHR 	C30H51N13O10S	785.3603	NA	PeJP	NA	NA
+PJ034763	AQHHFF 	C38H47N11O8	785.3609	NA	PeJP	NA	NA
+PJ034764	GAAHHFF 	C38H47N11O8	785.361	NA	PeJP	NA	NA
+3730	NA	YPFGFVG	785.361	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ094306	4(20),11-Taxadiene-1,2,5,7,9,10,13-heptol, 5-O-(3-Dimethylamino-2-hydroxy-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac 	C41H55NO14	785.362255	NA	MeJP	NA	NA
+PJ034765	GTTTLMY 	C34H55N7O12S	785.363	NA	PeJP	NA	NA
+PJ034766	VKMMMF 	C35H59N7O7S3	785.3638	NA	PeJP	NA	NA
+PJ034767	PPCQRW 	C35H51N11O8S	785.3643	NA	PeJP	NA	NA
+PJ034768	PQQEER 	C31H51N11O13	785.3668	NA	PeJP	NA	NA
+PJ034769	APCCKKH 	C32H55N11O8S2	785.3677	NA	PeJP	NA	NA
+PJ034770	AEHHHR 	C32H47N15O9	785.3682	NA	PeJP	NA	NA
+PJ034771	MFFRW 	C40H51N9O6S	785.3683	NA	PeJP	NA	NA
+PJ034772	TTLEHW 	C36H51N9O11	785.3708	NA	PeJP	NA	NA
+PJ034773	GGGAPLEW 	C36H51N9O11	785.3709	NA	PeJP	NA	NA
+PJ034774	SCQHRR 	C29H51N15O9S	785.3715	NA	PeJP	NA	NA
+PJ034775	GLHHHW 	C37H47N13O7	785.3722	NA	PeJP	NA	NA
+PJ034776	GSTCKKY 	C33H55N9O11S	785.3742	NA	PeJP	NA	NA
+PJ034777	AALYYW 	C41H51N7O9	785.3748	NA	PeJP	NA	NA
+PJ034778	GVVYYW 	C41H51N7O9	785.3749	NA	PeJP	NA	NA
+PJ034779	GCKHRW 	C34H51N13O7S	785.3756	NA	PeJP	NA	NA
+PJ034780	GSTTQHR 	C30H51N13O12	785.378	NA	PeJP	NA	NA
+PJ034781	PNDERR 	C30H51N13O12	785.3781	NA	PeJP	NA	NA
+PJ034782	PCLKYY 	C38H55N7O9S	785.3782	NA	PeJP	NA	NA
+PJ034783	STTTTLY 	C34H55N7O14	785.3807	NA	PeJP	NA	NA
+PJ034784	TLKMMY 	C35H59N7O9S2	785.3816	NA	PeJP	NA	NA
+PJ034785	APQERW 	C35H51N11O10	785.3821	NA	PeJP	NA	NA
+MJ094307	Leucomycin B; Leucomycin B4 	C38H59NO16	785.383384	NA	MeJP	NA	NA
+PJ034786	TLEMHR 	C32H55N11O10S	785.3854	NA	PeJP	NA	NA
+PJ034787	GGAPPTMR 	C32H55N11O10S	785.3855	NA	PeJP	NA	NA
+PJ034788	GPLQWW 	C40H51N9O8	785.3861	NA	PeJP	NA	NA
+PJ034789	GSSSHRR 	C29H51N15O11	785.3893	NA	PeJP	NA	NA
+PJ034790	SLLMHW 	C37H55N9O8S	785.3895	NA	PeJP	NA	NA
+PJ034791	SSSSKKY 	C33H55N9O13	785.3919	NA	PeJP	NA	NA
+PJ034792	SSTLLEH 	C33H55N9O13	785.392	NA	PeJP	NA	NA
+PJ034793	AALLMMH 	C34H59N9O8S2	785.3928	NA	PeJP	NA	NA
+PJ034794	GPDRRW 	C34H51N13O9	785.3933	NA	PeJP	NA	NA
+PJ034795	PLLEEW 	C38H55N7O11	785.396	NA	PeJP	NA	NA
+PJ034796	GPPTCRR 	C31H55N13O9S	785.3967	NA	PeJP	NA	NA
+MJ094308	GNFFRF amide 	C39H51N11O7	785.397293	NA	MeJP	NA	NA
+PJ034797	AAPRWW 	C39H51N11O7	785.3973	NA	PeJP	NA	NA
+PJ034798	SPPLLEM 	C35H59N7O11S	785.3994	NA	PeJP	NA	NA
+PJ034799	PPCKRW 	C36H55N11O7S	785.4007	NA	PeJP	NA	NA
+PJ034800	PQKEER 	C32H55N11O12	785.4032	NA	PeJP	NA	NA
+PJ034801	VLMMHR 	C33H59N11O7S2	785.4041	NA	PeJP	NA	NA
+PJ034802	GNHFRR 	C33H51N15O8	785.4045	NA	PeJP	NA	NA
+PJ034803	GGGHFRR 	C33H51N15O8	785.4046	NA	PeJP	NA	NA
+PJ034804	PVQKEW 	C37H55N9O10	785.4072	NA	PeJP	NA	NA
+PJ034805	SCKHRR 	C30H55N15O8S	785.4079	NA	PeJP	NA	NA
+PJ034806	ATTLLMH 	C34H59N9O10S	785.4106	NA	PeJP	NA	NA
+PJ034807	PTKFFF 	C42H55N7O8	785.4112	NA	PeJP	NA	NA
+PJ034808	GGVLFFF 	C42H55N7O8	785.4113	NA	PeJP	NA	NA
+PJ034809	PTQERR 	C31H55N13O11	785.4144	NA	PeJP	NA	NA
+PJ034810	GGGGAALQR 	C31H55N13O11	785.4145	NA	PeJP	NA	NA
+PJ034811	VVKMFY 	C39H59N7O8S	785.4146	NA	PeJP	NA	NA
+PJ034812	SPVLLEE 	C35H59N7O13	785.4171	NA	PeJP	NA	NA
+PJ034813	PPVVLMM 	C36H63N7O8S2	785.418	NA	PeJP	NA	NA
+PJ034814	APKERW 	C36H55N11O9	785.4185	NA	PeJP	NA	NA
+MJ094309	Leucomycin A9; 3-Ac 	C39H63NO15	785.41977	NA	MeJP	NA	NA
+C14061	Leucomycin A8	C39H63NO15	785.4198	NA	KEGG	NA	NA
+PJ034815	GPPTKMR 	C33H59N11O9S	785.4218	NA	PeJP	NA	NA
+PJ034816	GPLKWW 	C41H55N9O7	785.4225	NA	PeJP	NA	NA
+PJ034817	SPDRRR 	C30H55N15O10	785.4257	NA	PeJP	NA	NA
+PJ034818	PPKKMW 	C38H59N9O7S	785.4259	NA	PeJP	NA	NA
+PJ034819	TTTTLLH 	C34H59N9O12	785.4283	NA	PeJP	NA	NA
+PJ034820	GPVKKEE 	C34H59N9O12	785.4284	NA	PeJP	NA	NA
+PJ034821	APTRRW 	C35H55N13O8	785.4297	NA	PeJP	NA	NA
+PJ034822	SLLKYY 	C39H59N7O10	785.4324	NA	PeJP	NA	NA
+PJ034823	PVQMRR 	C32H59N13O8S	785.4331	NA	PeJP	NA	NA
+MJ094310	Hygrolidin K2 	C43H63NO12	785.435026	NA	MeJP	NA	NA
+PJ034824	PCILLLD 	C36H63N7O10S	785.4357	NA	PeJP	NA	NA
+PJ034825	APLLLEM 	C36H63N7O10S	785.4358	NA	PeJP	NA	NA
+PJ034826	GNQRRR 	C29H55N17O9	785.4369	NA	PeJP	NA	NA
+PJ034827	PKKEER 	C33H59N11O11	785.4396	NA	PeJP	NA	NA
+PJ034828	PVKKEW 	C38H59N9O9	785.4436	NA	PeJP	NA	NA
+PJ034829	APMRRR 	C31H59N15O7S	785.4443	NA	PeJP	NA	NA
+PJ034830	SPPVKKM 	C35H63N9O9S	785.447	NA	PeJP	NA	NA
+PJ034831	VVKFFF 	C43H59N7O7	785.4476	NA	PeJP	NA	NA
+PJ034832	PTKERR 	C32H59N13O10	785.4508	NA	PeJP	NA	NA
+PJ034833	GLLLLEE 	C36H63N7O12	785.4535	NA	PeJP	NA	NA
+PJ034834	SPLKRW 	C37H59N11O8	785.4548	NA	PeJP	NA	NA
+PJ034835	GAALLRW 	C37H59N11O8	785.4549	NA	PeJP	NA	NA
+MJ094311	Carbomycin B; 10,11-Dihydro, O-de-Ac 	C40H67NO14	785.456155	NA	MeJP	NA	NA
+MJ094312	Leucomycin A1 	C40H67NO14	785.456155	NA	MeJP	NA	NA
+C14056	Leucomycin A1	C40H67NO14	785.4562	NA	KEGG	NA	NA
+MJ094313	Mycobactin; Mycobactin A 	C41H63N5O10	785.457493	NA	MeJP	NA	NA
+PJ034836	AAPLKMR 	C34H63N11O8S	785.4582	NA	PeJP	NA	NA
+PJ034837	GLERRR 	C31H59N15O9	785.4621	NA	PeJP	NA	NA
+PJ034838	APTLKKE 	C35H63N9O11	785.4647	NA	PeJP	NA	NA
+MJ094314	Dynastin 4; 3-L-Isoleucine analogue 	C35H63N9O11	785.464703	NA	MeJP	NA	NA
+PJ034839	AAAALLKE 	C35H63N9O11	785.4648	NA	PeJP	NA	NA
+PJ034840	GVLRRW 	C36H59N13O7	785.4661	NA	PeJP	NA	NA
+PJ034841	LLLLEW 	C40H63N7O9	785.4688	NA	PeJP	NA	NA
+PJ034842	PVKMRR 	C33H63N13O7S	785.4695	NA	PeJP	NA	NA
+PJ034843	SPLLLLM 	C37H67N7O9S	785.4721	NA	PeJP	NA	NA
+PJ034844	GNKRRR 	C30H59N17O8	785.4733	NA	PeJP	NA	NA
+PJ034845	LLQKER 	C34H63N11O10	785.476	NA	PeJP	NA	NA
+PJ034846	LRRRW 	C35H59N15O6	785.4773	NA	PeJP	NA	NA
+PJ034847	VLLQKW 	C39H63N9O8	785.48	NA	PeJP	NA	NA
+PJ034848	GPLLKKM 	C36H67N9O8S	785.4834	NA	PeJP	NA	NA
+PJ034849	VVKERR 	C33H63N13O9	785.4872	NA	PeJP	NA	NA
+PJ034850	SVLLLLE 	C37H67N7O11	785.4899	NA	PeJP	NA	NA
+PJ034851	ALLKRW 	C38H63N11O7	785.4912	NA	PeJP	NA	NA
+PJ034852	SVLRRR 	C32H63N15O8	785.4984	NA	PeJP	NA	NA
+PJ034853	GAAKKRR 	C32H63N15O8	785.4985	NA	PeJP	NA	NA
+HMDB09144	PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09177	PE(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09208	PE(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09209	PE(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09401	PE(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09434	PE(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09465	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09466	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09624	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09657	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09688	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+HMDB09689	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	C45H72NO8P	785.499573	NA	HMDB2010	NA	NA
+PJ034854	GVLLKKE 	C36H67N9O10	785.5011	NA	PeJP	NA	NA
+PJ034855	APLLLLF 	C41H67N7O8	785.5051	NA	PeJP	NA	NA
+PJ034856	PVVVLLF 	C41H67N7O8	785.5052	NA	PeJP	NA	NA
+PJ034857	ALLLLLM 	C38H71N7O8S	785.5085	NA	PeJP	NA	NA
+PJ034858	LLKKER 	C35H67N11O9	785.5124	NA	PeJP	NA	NA
+PJ034859	VLLKKW 	C40H67N9O7	785.5164	NA	PeJP	NA	NA
+HMDB12360	PS(16:0/20:3(8Z,11Z,14Z))	C42H76NO10P	785.520691	NA	HMDB2010	NA	NA
+HMDB12381	PS(18:0/18:3(9Z,12Z,15Z))	C42H76NO10P	785.520691	NA	HMDB2010	NA	NA
+HMDB12391	PS(18:1(9Z)/18:2(9Z,12Z))	C42H76NO10P	785.520691	NA	HMDB2010	NA	NA
+HMDB12401	PS(18:2(9Z,12Z)/18:1(9Z))	C42H76NO10P	785.520691	NA	HMDB2010	NA	NA
+HMDB12411	PS(18:3(9Z,12Z,15Z)/18:0)	C42H76NO10P	785.520691	NA	HMDB2010	NA	NA
+HMDB12420	PS(20:3(8Z,11Z,14Z)/16:0)	C42H76NO10P	785.520691	NA	HMDB2010	NA	NA
+PJ034860	TLLKRR 	C34H67N13O8	785.5236	NA	PeJP	NA	NA
+PJ034861	TTLLLLL 	C38H71N7O10	785.5263	NA	PeJP	NA	NA
+PJ034862	AKKKRR 	C33H67N15O7	785.5348	NA	PeJP	NA	NA
+PJ034863	ATLLLKK 	C37H71N9O9	785.5375	NA	PeJP	NA	NA
+PJ034864	AALKKKK 	C36H71N11O8	785.5487	NA	PeJP	NA	NA
+PJ034865	VKKKKR 	C35H71N13O7	785.56	NA	PeJP	NA	NA
+HMDB00593	Dioleoylphosphatidylcholine	C44H84NO8P	785.59344	http://www.hmdb.ca/metabolites/HMDB00593	HMDB	NA	NA
+HMDB00593	Dioleoylphosphatidylcholine	C44H84NO8P	785.59344	HMDB00593	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00593	PC(18:1(9Z)/18:1(9Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB07888	PC(14:0/22:2(13Z,16Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB07920	PC(14:1(9Z)/22:1(13Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB07979	PC(16:0/20:2(11Z,14Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08011	PC(16:1(9Z)/20:1(11Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08039	PC(18:0/18:2(9Z,12Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08070	PC(18:1(11Z)/18:1(11Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08071	PC(18:1(11Z)/18:1(9Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08103	PC(18:1(9Z)/18:1(11Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08135	PC(18:2(9Z,12Z)/18:0)	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08299	PC(20:1(11Z)/16:1(9Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08331	PC(20:2(11Z,14Z)/16:0)	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08559	PC(22:1(13Z)/14:1(9Z))	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+HMDB08590	PC(22:2(13Z,16Z)/14:0)	C44H84NO8P	785.593445	NA	HMDB2010	NA	NA
+EUR964	PC 36:2 monoisotopic mass 	C44H84NO8P	785.593457	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR964	PC 36:2 monoisotopic mass 	C44H84NO8P	785.593457	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR964	PC 36:2 monoisotopic mass 	C44H84NO8P	785.593457	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR964	PC 36:2 monoisotopic mass 	C44H84NO8P	785.593457	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09512	PE(22:0/P-18:1(11Z))	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB09513	PE(22:0/P-18:1(9Z))	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB09544	PE(22:1(13Z)/P-18:0)	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB09774	PE(24:1(15Z)/P-16:0)	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB11363	PE(P-16:0/24:1(15Z))	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB11389	PE(P-18:0/22:1(13Z))	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB11421	PE(P-18:1(11Z)/22:0)	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB11454	PE(P-18:1(9Z)/22:0)	C45H88NO7P	785.629822	NA	HMDB2010	NA	NA
+HMDB11694	SM(d16:1/24:1(15Z))	C45H90N2O6P	785.653625	NA	HMDB2010	NA	NA
+MJ094315	Isorawsonol 	C28H22Br4O7	785.809903	NA	MeJP	NA	NA
+6995	potential coeliac toxic peptide (extended motif)	QGSFRPSQQNPQAQ	785.86395	MH2+	Inhouse_peptide	NA	peptide
+C13932	Ruthenium red	Ru3N14H42O2	785.8877	NA	KEGG	NA	NA
+C13933	Transferred to D02166	Ru3N14H42O2	785.8877	NA	KEGG	NA	NA
+C13934	Transferred to D02167	Ru3N14H42O2	785.8877	NA	KEGG	NA	NA
+C13935	Transferred to D02168	Ru3N14H42O2	785.8877	NA	KEGG	NA	NA
+C13936	Transferred to D02169	Ru3N14H42O2	785.8877	NA	KEGG	NA	NA
+MJ094316	2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1,6-Bis-O-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094317	2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 4,6-Bis(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094318	2,3-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1,6-Bis(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094319	3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094320	3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,4-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094321	3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1-O-[Dihydroxy-(3,4,5-trihydroxybenzoyloxy)benzoyl] 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094322	3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094323	3,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094324	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,3-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094325	4,6-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 2,3-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+MJ094326	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-Pyranose-form, 1,3-Bis-(3,4,5-trihydroxybenzoyl) 	C34H26O22	786.091572	NA	MeJP	NA	NA
+C10241	Tellimagrandin I	C34H26O22	786.0916	NA	KEGG	NA	NA
+MJ094327	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl) 	C35H30O21	786.127958	NA	MeJP	NA	NA
+PJ034866	CCCNDDD 	C25H38N8O15S3	786.1619	NA	PeJP	NA	NA
+PJ034867	GSPCCCCD 	C26H42N8O12S4	786.1805	NA	PeJP	NA	NA
+FL5FAAGL0037	Kaempferol 3-sophoroside-7-glucuronide;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid	C33H38O22	786.18547	140163-56-0	knapsack	NA	NA
+FL5FAAGL0041	Kaempferol 3-gentiobioside-7-glucuronide	C33H38O22	786.18547	134981-91-2	knapsack	NA	NA
+FL5FACGL0043	Quercetin 3-rutinoside-7-glucuronide	C33H38O22	786.18547	135093-72-0	knapsack	NA	NA
+FL5FACGS0045	Quercetin 3-glucuronide-7-rutinoside	C33H38O22	786.18547	162321-61-1	knapsack	NA	NA
+MJ094328	Astragalin; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-glucuronopyranoside 	C33H38O22	786.185472	NA	MeJP	NA	NA
+MJ094329	Astragalin; 6''-O-?-D-Glucopyranosyl, 7-O-?-D-glucuronopyranoside 	C33H38O22	786.185472	NA	MeJP	NA	NA
+MJ094330	Rutin; 7-O-?-D-Glucuronopyranoside 	C33H38O22	786.185472	NA	MeJP	NA	NA
+PJ034868	CCCCNNQ 	C25H42N10O11S4	786.1918	NA	PeJP	NA	NA
+PJ034869	SCCNDDM 	C26H42N8O14S3	786.1983	NA	PeJP	NA	NA
+PJ034870	PCCCCQM 	C27H46N8O9S5	786.1992	NA	PeJP	NA	NA
+FL3FACDS0018	Isoorientin 4'-O-glucoside 2''-O-(E)-ferulate	C37H38O19	786.20072	60077-50-1	knapsack	NA	NA
+FL3FACDS0026	Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside	C37H38O19	786.20072	496788-50-2	knapsack	NA	NA
+FL5FAAGL0081	Petunoside	C37H38O19	786.20072	-	knapsack	NA	NA
+FL5FAAGS0114	Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside);5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C37H38O19	786.20072	352284-18-5	knapsack	NA	NA
+FL5FAAGS0117	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside;5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C37H38O19	786.20072	284677-05-0	knapsack	NA	NA
+FL5FADGL0040	Isorhamnetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C37H38O19	786.20072	473919-26-5	knapsack	NA	NA
+MJ094331	3,4',5,7-Tetrahydroxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(1??)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C37H38O19	786.200729	NA	MeJP	NA	NA
+MJ094332	Isoorientin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl), 4'-O-?-D-glucopyranoside 	C37H38O19	786.200729	NA	MeJP	NA	NA
+MJ094333	Isoorientin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] 	C37H38O19	786.200729	NA	MeJP	NA	NA
+MJ094334	Populnin; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside] 	C37H38O19	786.200729	NA	MeJP	NA	NA
+MJ094335	Trifolin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] 	C37H38O19	786.200729	NA	MeJP	NA	NA
+MJ094336	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C37H39O19(+)	786.200729	NA	MeJP	NA	NA
+MJ094337	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C37H39O19(+)	786.200729	NA	MeJP	NA	NA
+MJ094338	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]] 	C37H39O19(+)	786.200729	NA	MeJP	NA	NA
+MJ094339	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside]] 	C37H39O19(+)	786.200729	NA	MeJP	NA	NA
+PJ034871	GSSCCCNN 	C25H42N10O13S3	786.2095	NA	PeJP	NA	NA
+PJ034872	PCCCCCR 	C26H46N10O8S5	786.2104	NA	PeJP	NA	NA
+PJ034873	GSCCCEW 	C30H42N8O11S3	786.2135	NA	PeJP	NA	NA
+PJ034874	GSSSCCDE 	C26H42N8O16S2	786.2161	NA	PeJP	NA	NA
+PJ034875	GCCNEMM 	C27H46N8O11S4	786.2169	NA	PeJP	NA	NA
+FL3FADGS0017	Luteolin 3'-methyl ether 7-sophorotrioside	C34H42O21	786.22185	63069-54-5	knapsack	NA	NA
+FL3FCCDS0003	Swertiajaponin 3'-O-gentiobioside	C34H42O21	786.22185	76166-51-3	knapsack	NA	NA
+FL5FADGA0012	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside;Isorhamnetin 3-(4Rha-galactosylrobinobioside);3-[(O-beta-D-galactopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O21	786.22185	168136-44-5	knapsack	NA	NA
+FL5FADGA0013	Isorhamnetin 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]	C34H42O21	786.22185	123563-73-5	knapsack	NA	NA
+FL5FADGA0017	Isorhamnetin 3-rhamnosyl-(1->2)-galactoside-7-glucoside	C34H42O21	786.22185	128988-18-1	knapsack	NA	NA
+FL5FADGL0021	Isorhamnetin 3-(2G-galactosylrutinoside);Isorhamnetin 3-galactosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];Quercetin 3'-methyl ether 3-galactosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];Calotropiside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-galactopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O21	786.22185	144606-94-0	knapsack	NA	NA
+FL5FADGL0025	Isorhamnetin 3-sophoroside-7-rhamnoside	C34H42O21	786.22185	41328-75-0	knapsack	NA	NA
+FL5FADGL0027	Isorhamnetin 3-rutinoside-7-glucoside	C34H42O21	786.22185	55481-91-9	knapsack	NA	NA
+FL5FADGL0029	Isorhamnetin 3-rutinoside-4'-glucoside	C34H42O21	786.22185	111393-97-6	knapsack	NA	NA
+FL5FADGS0018	Isorhamnetin 3-rhamnoside-7-sophoroside	C34H42O21	786.22185	123131-40-8	knapsack	NA	NA
+FL5FADGS0024	Isorhamnetin 3-rhamnosyl-(1->2)-[glucosyl-(1->6)-glucoside];Quercetin 3'-methyl ether 3-rhamnosyl-(1->2)-[glucosyl-(1->6)-glucoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O21	786.22185	188825-72-1	knapsack	NA	NA
+FL5FFAGL0010	Sexangularetin 3-rutinoside-7-glucoside	C34H42O21	786.22185	106009-65-8	knapsack	NA	NA
+FL5FFAGL0011	Sexangularetin 3-glucoside-7-rutinoside	C34H42O21	786.22185	95262-51-4	knapsack	NA	NA
+MJ094340	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-(Rhamnosylrutinoside) 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094341	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094342	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094343	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucofuranoside], 7-O-?-L-rhamnofuranoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094344	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside], 7-O-?-D-glucopyranoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094345	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-L-rhamnopyranoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094346	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; Glycoside (1) 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094347	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; Glycoside (2) 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094348	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-?-D-Glucopyranoside, 7-O-rutinoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094349	3,4',5,7-Tetrahydroxy-8-methoxyflavone; 3-O-Rutinoside, 7-O-?-D-glucopyranoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094350	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Galactopyranosyl, 6''-O-?-L-rhamnopyranosyl 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094351	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl, 6''-O-?-L-rhamnopyranosyl 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094352	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl, 7-O-?-L-rhamnopyranoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094353	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094354	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 4'-O-?-D-Glucopyranoside, 6''-O-?-L-rhamnopyranosyl 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094355	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-L-Rhamnopyranosyl, 7-O-?-D-glucopyranoside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094356	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; ?''-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranosyl] 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094357	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094358	Swertiajaponin; 3'-O-Gentiobioside 	C34H42O21	786.221858	NA	MeJP	NA	NA
+MJ094359	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C34H43O21(+)	786.221858	NA	MeJP	NA	NA
+MJ094360	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[Arabinosyl-(1??)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C34H43O21(+)	786.221858	NA	MeJP	NA	NA
+MJ094361	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C34H43O21(+)	786.221858	NA	MeJP	NA	NA
+MJ094362	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] 	C34H43O21(+)	786.221858	NA	MeJP	NA	NA
+PJ034876	GCCCDMR 	C26H46N10O10S4	786.2282	NA	PeJP	NA	NA
+PJ034877	SCCCWW 	C34H42N8O8S3	786.2288	NA	PeJP	NA	NA
+MJ094363	4',7-Dihydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan 	C45H38O13	786.231241	NA	MeJP	NA	NA
+PJ034878	SSSCCDW 	C30H42N8O13S2	786.2313	NA	PeJP	NA	NA
+PJ034879	CCNMMW 	C31H46N8O8S4	786.2322	NA	PeJP	NA	NA
+PJ034880	SSSSSCDD 	C26H42N8O18S	786.2338	NA	PeJP	NA	NA
+PJ034881	SSCNDMM 	C27H46N8O13S3	786.2347	NA	PeJP	NA	NA
+PJ034882	PCCCCKM 	C28H50N8O8S5	786.2356	NA	PeJP	NA	NA
+PJ034883	GCCCQHH 	C28H42N12O9S3	786.236	NA	PeJP	NA	NA
+MJ094364	Antibiotic D 329C 	C38H42O18	786.237114	NA	MeJP	NA	NA
+MJ094365	Interjectin 	C38H42O18	786.237114	NA	MeJP	NA	NA
+PJ034884	DDDEMY 	C31H42N6O16S	786.2378	NA	PeJP	NA	NA
+HMDB00728	Hydroxypropionic porphyrin III	C39H38N4O14	786.23846	http://www.hmdb.ca/metabolites/HMDB00728	HMDB	NA	NA
+HMDB00737	Heptacarboxylporphyrin I	C39H38N4O14	786.23846	http://www.hmdb.ca/metabolites/HMDB00737	HMDB	NA	NA
+HMDB00815	Pseudouroporphyrin	C39H38N4O14	786.23846	http://www.hmdb.ca/metabolites/HMDB00815	HMDB	NA	NA
+HMDB00728	Hydroxypropionic porphyrin III	C39H38N4O14	786.23846	HMDB00728	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00737	Heptacarboxylporphyrin I	C39H38N4O14	786.23846	HMDB00737	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00815	Pseudouroporphyrin	C39H38N4O14	786.23846	HMDB00815	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00728	Hydroxypropionic porphyrin III	C39H38N4O14	786.238464	NA	HMDB2010	NA	NA
+HMDB00737	Heptacarboxylporphyrin I	C39H38N4O14	786.238464	NA	HMDB2010	NA	NA
+HMDB00815	Pseudouroporphyrin	C39H38N4O14	786.238464	NA	HMDB2010	NA	NA
+PJ034885	GNDDDDH 	C28H38N10O17	786.2417	NA	PeJP	NA	NA
+PJ034886	DEMMMM 	C29H50N6O11S4	786.2421	NA	PeJP	NA	NA
+PJ034887	GCCNNNY 	C29H42N10O12S2	786.2425	NA	PeJP	NA	NA
+PJ034888	GGGGGCCNY 	C29H42N10O12S2	786.2426	NA	PeJP	NA	NA
+PJ034889	SSCCCER 	C26H46N10O12S3	786.2459	NA	PeJP	NA	NA
+PJ034890	CCNDFW 	C34H42N8O10S2	786.2466	NA	PeJP	NA	NA
+MetaCyc04137	5,10-methenyltetrahydromethanopterin [methenyl-H4MPT;N5,N10-methenyltetrahydromethanopterin;5,10-methenyl-H4MPT;N5,N10-methenyl-5,6,7,8-tetrahydromethanopterin;5,10-methenyl-5,6,7,8-tetrahydromethanopterin;5,10-methenyl-tetrahydromethanopterin;]	C31H43N6O16P1	786.247316	NA	metacyc	NA	NA
+PJ034891	GSCNDEY 	C30H42N8O15S	786.2491	NA	PeJP	NA	NA
+PJ034892	GSTCCMW 	C31H46N8O10S3	786.2499	NA	PeJP	NA	NA
+MJ094366	Paulomycin A 	C34H46N2O17S	786.251718	NA	MeJP	NA	NA
+PJ034893	GSSSSCEM 	C27H46N8O15S2	786.2524	NA	PeJP	NA	NA
+MJ094367	Estra-1,3,5(10)-triene-3,17-diol; 17?-form, 3,17-Bis[4-[bis(2-chloroethyl)amino]phenylacetyl] 	C42H50Cl4N2O4	786.252468	NA	MeJP	NA	NA
+PJ034894	GSCQMMM 	C28H50N8O10S4	786.2533	NA	PeJP	NA	NA
+PJ034895	SSCCNHH 	C28H42N12O11S2	786.2538	NA	PeJP	NA	NA
+PJ034896	DDEMMF 	C32H46N6O13S2	786.2565	NA	PeJP	NA	NA
+C10450	Echinacoside	C35H46O20	786.2582	NA	KEGG	NA	NA
+C10488	Purpureaside C	C35H46O20	786.2582	NA	KEGG	NA	NA
+C17679	Magnoloside B	C35H46O20	786.2582	NA	KEGG	NA	NA
+MJ094368	1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-apiofuranosyl-(1?6)]-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094369	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Galactopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094370	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Galactopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-Z-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094371	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094372	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094373	Magnoloside A; 6-O-?-D-Glucopyranosyl 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094374	Neoacteoside 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094375	Purpureaside B 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094376	Purpureaside C 	C35H46O20	786.258243	NA	MeJP	NA	NA
+MJ094377	Stachyoside 	C35H46O20	786.258243	NA	MeJP	NA	NA
+PJ034897	SPCNDDH 	C29H42N10O14S	786.2603	NA	PeJP	NA	NA
+PJ034898	CEMMHH 	C30H46N10O9S3	786.2612	NA	PeJP	NA	NA
+PJ034899	SCNDYW 	C34H42N8O12S	786.2643	NA	PeJP	NA	NA
+PJ034900	GSCCMMR 	C27H50N10O9S4	786.2645	NA	PeJP	NA	NA
+PJ034901	CCMHFF 	C35H46N8O7S3	786.2652	NA	PeJP	NA	NA
+PJ034902	SSSNDDY 	C30H42N8O17	786.2668	NA	PeJP	NA	NA
+PJ034903	SSSSCMW 	C31H46N8O12S2	786.2677	NA	PeJP	NA	NA
+PJ034904	SSSSSSDM 	C27H46N8O17S	786.2702	NA	PeJP	NA	NA
+PJ034905	PDDDYY 	C35H42N6O15	786.2708	NA	PeJP	NA	NA
+PJ034906	SSSNMMM 	C28H50N8O12S3	786.271	NA	PeJP	NA	NA
+PJ034907	GGSSSMMM 	C28H50N8O12S3	786.2711	NA	PeJP	NA	NA
+PJ034908	GCNNNEH 	C28H42N12O13S	786.2715	NA	PeJP	NA	NA
+PJ034909	GGGGGGGCEH 	C28H42N12O13S	786.2716	NA	PeJP	NA	NA
+PJ034910	GCCCKHH 	C29H46N12O8S3	786.2724	NA	PeJP	NA	NA
+PJ034911	SEEEMY 	C32H46N6O15S	786.2742	NA	PeJP	NA	NA
+PJ034912	PDMMMY 	C33H50N6O10S3	786.2751	NA	PeJP	NA	NA
+PJ034913	CDEHHF 	C33H42N10O11S	786.2756	NA	PeJP	NA	NA
+PJ034914	GSNDEEH 	C29H42N10O16	786.2781	NA	PeJP	NA	NA
+PJ034915	CCNERY 	C30H46N10O11S2	786.2789	NA	PeJP	NA	NA
+PJ034916	NNDDFY 	C34H42N8O14	786.2821	NA	PeJP	NA	NA
+PJ034917	SSTCCMR 	C27H50N10O11S3	786.2823	NA	PeJP	NA	NA
+PJ034918	GCQMYW 	C35H46N8O9S2	786.2829	NA	PeJP	NA	NA
+PJ034919	GGACMYW 	C35H46N8O9S2	786.283	NA	PeJP	NA	NA
+PJ034920	GSSNEMY 	C31H46N8O14S	786.2854	NA	PeJP	NA	NA
+PJ034921	GGGSSEMY 	C31H46N8O14S	786.2855	NA	PeJP	NA	NA
+PJ034922	APCCCKY 	C32H50N8O9S3	786.2863	NA	PeJP	NA	NA
+PJ034923	CNNNHW 	C32H42N12O10S	786.2868	NA	PeJP	NA	NA
+PJ034924	GSSSSTMM 	C28H50N8O14S2	786.2888	NA	PeJP	NA	NA
+PJ034925	SSNNNDH 	C28H42N12O15	786.2893	NA	PeJP	NA	NA
+PJ034926	PDDMFY 	C36H46N6O12S	786.2895	NA	PeJP	NA	NA
+PJ034927	GSCKMMM 	C29H54N8O9S4	786.2897	NA	PeJP	NA	NA
+PJ034928	GPCCDHR 	C29H46N12O10S2	786.2902	NA	PeJP	NA	NA
+PJ034929	VDEMMY 	C33H50N6O12S2	786.2928	NA	PeJP	NA	NA
+PJ034930	SNDEHW 	C33H42N10O13	786.2933	NA	PeJP	NA	NA
+PJ034931	PMMMMF 	C34H54N6O7S4	786.2937	NA	PeJP	NA	NA
+PJ034932	GCCRYW 	C34H46N10O8S2	786.2942	NA	PeJP	NA	NA
+PJ034933	GSSCDRY 	C30H46N10O13S	786.2967	NA	PeJP	NA	NA
+PJ034934	LMMMMM 	C31H58N6O7S5	786.2971	NA	PeJP	NA	NA
+PJ034935	CCQMFR 	C31H50N10O8S3	786.2976	NA	PeJP	NA	NA
+PJ034936	SSNMYW 	C35H46N8O11S	786.3007	NA	PeJP	NA	NA
+PJ034937	SSSSQEY 	C31H46N8O16	786.3032	NA	PeJP	NA	NA
+PJ034938	SQQMMY 	C32H50N8O11S2	786.3041	NA	PeJP	NA	NA
+PJ034939	SSSSSTTM 	C28H50N8O16S	786.3066	NA	PeJP	NA	NA
+PJ034940	SPEEYY 	C36H46N6O14	786.3072	NA	PeJP	NA	NA
+PJ034941	SSTCKMM 	C29H54N8O11S3	786.3074	NA	PeJP	NA	NA
+PJ034942	NDDMHR 	C29H46N12O12S	786.3079	NA	PeJP	NA	NA
+PJ034943	PDMMFF 	C37H50N6O9S2	786.3081	NA	PeJP	NA	NA
+PJ034944	GSDHWW 	C37H42N10O10	786.3086	NA	PeJP	NA	NA
+PJ034945	CCCFRR 	C30H50N12O7S3	786.3088	NA	PeJP	NA	NA
+MJ094378	Antibiotic MA 144 U7 	C40H50O16	786.309885	NA	MeJP	NA	NA
+MJ094379	Ciclamycin O; 3''-Deoxy, 4'''?-alcohol 	C40H50O16	786.309885	NA	MeJP	NA	NA
+MJ094380	Correolide; 11,12-Didehydro 	C40H50O16	786.309885	NA	MeJP	NA	NA
+PJ034946	VEMMMF 	C34H54N6O9S3	786.3115	NA	PeJP	NA	NA
+PJ034947	GQEMHW 	C34H46N10O10S	786.3119	NA	PeJP	NA	NA
+PJ034948	GGAEMHW 	C34H46N10O10S	786.312	NA	PeJP	NA	NA
+PJ034949	GSTQEEH 	C30H46N10O15	786.3144	NA	PeJP	NA	NA
+PJ034950	GGGTTEEH 	C30H46N10O15	786.3145	NA	PeJP	NA	NA
+PJ034951	SCQMRY 	C31H50N10O10S2	786.3153	NA	PeJP	NA	NA
+PJ034952	NNEHHH 	C31H42N14O11	786.3158	NA	PeJP	NA	NA
+PJ034953	GCQFFW 	C39H46N8O8S	786.316	NA	PeJP	NA	NA
+PJ034954	ASSSSYW 	C35H46N8O13	786.3184	NA	PeJP	NA	NA
+PJ034955	GSSSTYW 	C35H46N8O13	786.3185	NA	PeJP	NA	NA
+PJ034956	GSCNNHR 	C28H46N14O11S	786.3192	NA	PeJP	NA	NA
+PJ034957	GCKMYW 	C36H50N8O8S2	786.3193	NA	PeJP	NA	NA
+PJ034958	GSSDKMY 	C32H50N8O13S	786.3218	NA	PeJP	NA	NA
+PJ034959	GGAPPEEM 	C32H50N8O13S	786.3219	NA	PeJP	NA	NA
+PJ034960	PDDFFF 	C40H46N6O11	786.3225	NA	PeJP	NA	NA
+PJ034961	CQKMMF 	C33H54N8O8S3	786.3227	NA	PeJP	NA	NA
+PJ034962	GCEHRW 	C33H46N12O9S	786.3232	NA	PeJP	NA	NA
+MJ094381	Antibiotic AS 186C; 1''-Hydroxy, 2'',3''-dihydro, 2'-Me ether 	C44H50O13	786.325141	NA	MeJP	NA	NA
+PJ034963	GSSDEHR 	C29H46N12O14	786.3257	NA	PeJP	NA	NA
+PJ034964	PCLEYY 	C37H50N6O11S	786.3258	NA	PeJP	NA	NA
+PJ034965	PVDMYY 	C37H50N6O11S	786.3259	NA	PeJP	NA	NA
+PJ034966	SCCRRY 	C30H50N12O9S2	786.3265	NA	PeJP	NA	NA
+PJ034967	GSPCMHR 	C30H50N12O9S2	786.3266	NA	PeJP	NA	NA
+PJ034968	QMHWW 	C38H46N10O7S	786.3272	NA	PeJP	NA	NA
+PJ034969	TLEMMY 	C34H54N6O11S2	786.3292	NA	PeJP	NA	NA
+PJ034970	STQEHW 	C34H46N10O12	786.3297	NA	PeJP	NA	NA
+PJ034971	CLMHHF 	C35H50N10O7S2	786.3306	NA	PeJP	NA	NA
+PJ034972	GNHHHW 	C35H42N14O8	786.331	NA	PeJP	NA	NA
+PJ034973	GGGHHHW 	C35H42N14O8	786.3311	NA	PeJP	NA	NA
+MJ094382	Cephabacin H; Cephabacin H4, 28-Deoxy, N27-(L-alanyl-L-alanyl) 	C31H50N10O12S	786.333037	NA	MeJP	NA	NA
+PJ034974	GSSSMRY 	C31H50N10O12S	786.3331	NA	PeJP	NA	NA
+PJ034975	SPPDWW 	C39H46N8O10	786.3337	NA	PeJP	NA	NA
+PJ034976	CCKMFR 	C32H54N10O7S3	786.3339	NA	PeJP	NA	NA
+PJ034977	STCKYW 	C36H50N8O10S	786.3371	NA	PeJP	NA	NA
+PJ034978	CHRWW 	C37H46N12O6S	786.3384	NA	PeJP	NA	NA
+PJ034979	SSSSKEY 	C32H50N8O15	786.3396	NA	PeJP	NA	NA
+PJ034980	SQKMMY 	C33H54N8O10S2	786.3404	NA	PeJP	NA	NA
+PJ034981	TNKMMY 	C33H54N8O10S2	786.3405	NA	PeJP	NA	NA
+PJ034982	SSDHRW 	C33H46N12O11	786.3409	NA	PeJP	NA	NA
+PJ034983	GGGGGAQHF 	C33H46N12O11	786.341	NA	PeJP	NA	NA
+PJ034984	ALEEYY 	C37H50N6O13	786.3436	NA	PeJP	NA	NA
+PJ034985	SQEMHR 	C30H50N12O11S	786.3443	NA	PeJP	NA	NA
+PJ034986	PVMMFY 	C38H54N6O8S2	786.3445	NA	PeJP	NA	NA
+PJ034987	ASTHWW 	C38H46N10O9	786.3449	NA	PeJP	NA	NA
+PJ034988	GTTHWW 	C38H46N10O9	786.345	NA	PeJP	NA	NA
+PJ034989	VLMMMY 	C35H58N6O8S3	786.3478	NA	PeJP	NA	NA
+PJ034990	PPCERW 	C35H50N10O9S	786.3483	NA	PeJP	NA	NA
+MJ094383	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-sulfo-?-L-arabinopyranoside] 	C38H58O15S	786.349641	NA	MeJP	NA	NA
+PJ034991	SSSSTRY 	C31H50N10O14	786.3508	NA	PeJP	NA	NA
+PJ034992	GGGGGPKEE 	C31H50N10O14	786.3509	NA	PeJP	NA	NA
+PJ034993	SCKMRY 	C32H54N10O9S2	786.3517	NA	PeJP	NA	NA
+PJ034994	NDKHHH 	C32H46N14O10	786.3522	NA	PeJP	NA	NA
+PJ034995	APPMWW 	C40H50N8O7S	786.3523	NA	PeJP	NA	NA
+PJ034996	PPVCWW 	C40H50N8O7S	786.3524	NA	PeJP	NA	NA
+PJ034997	PVQEEW 	C36H50N8O12	786.3548	NA	PeJP	NA	NA
+PJ034998	GGPLEEW 	C36H50N8O12	786.3549	NA	PeJP	NA	NA
+PJ034999	SCEHRR 	C29H50N14O10S	786.3555	NA	PeJP	NA	NA
+PJ035000	PPNHHW 	C37H46N12O8	786.3562	NA	PeJP	NA	NA
+PJ035001	GSTTKMY 	C33H54N8O12S	786.3582	NA	PeJP	NA	NA
+MJ094384	Bouvardin; 6-Me ether 	C41H50N6O10	786.358841	NA	MeJP	NA	NA
+MJ094385	RA-V; 22-Hydroxy, Me ether 	C41H50N6O10	786.358841	NA	MeJP	NA	NA
+PJ035002	PPTFYY 	C41H50N6O10	786.3589	NA	PeJP	NA	NA
+PJ035003	CKKMMF 	C34H58N8O7S3	786.3591	NA	PeJP	NA	NA
+PJ035004	GTMHRW 	C34H50N12O8S	786.3596	NA	PeJP	NA	NA
+PJ035005	SSTNNKH 	C30H50N12O13	786.362	NA	PeJP	NA	NA
+PJ035006	PDDERR 	C30H50N12O13	786.3621	NA	PeJP	NA	NA
+PJ035007	PTLMYY 	C38H54N6O10S	786.3622	NA	PeJP	NA	NA
+PJ035008	VNMMHR 	C31H54N12O8S2	786.3629	NA	PeJP	NA	NA
+PJ035009	SNHHHR 	C31H46N16O9	786.3634	NA	PeJP	NA	NA
+PJ035010	KMHWW 	C39H50N10O6S	786.3636	NA	PeJP	NA	NA
+PJ035011	APEERW 	C35H50N10O11	786.3661	NA	PeJP	NA	NA
+PJ035012	SSPTKMH 	C32H54N10O11S	786.3694	NA	PeJP	NA	NA
+PJ035013	GPPTEMR 	C32H54N10O11S	786.3695	NA	PeJP	NA	NA
+MJ094386	Kasumigamide 	C40H50N8O9	786.370075	NA	MeJP	NA	NA
+PJ035014	GPLEWW 	C40H50N8O9	786.3701	NA	PeJP	NA	NA
+PJ035015	NNQQQR 	C29H50N14O12	786.3733	NA	PeJP	NA	NA
+PJ035016	PPKEMW 	C37H54N8O9S	786.3735	NA	PeJP	NA	NA
+PJ035017	GMMHRR 	C30H54N14O7S2	786.3742	NA	PeJP	NA	NA
+PJ035018	SSTTTKY 	C33H54N8O14	786.376	NA	PeJP	NA	NA
+PJ035019	SKKMMY 	C34H58N8O9S2	786.3768	NA	PeJP	NA	NA
+PJ035020	PPVVNMM 	C34H58N8O9S2	786.3769	NA	PeJP	NA	NA
+PJ035021	STTHRW 	C34H50N12O10	786.3773	NA	PeJP	NA	NA
+PJ035022	PVMFFF 	C42H54N6O7S	786.3775	NA	PeJP	NA	NA
+MJ094387	Casoxin 6 	C36H52N9O11	786.378628	NA	MeJP	NA	NA
+PJ035023	SLLEYY 	C38H54N6O12	786.38	NA	PeJP	NA	NA
+PJ035024	SKEMHR 	C31H54N12O10S	786.3807	NA	PeJP	NA	NA
+PJ035025	VLMMFF 	C39H58N6O7S2	786.3809	NA	PeJP	NA	NA
+PJ035026	GPNKWW 	C39H50N10O8	786.3813	NA	PeJP	NA	NA
+PJ035027	GGALHFW 	C39H50N10O8	786.3814	NA	PeJP	NA	NA
+PJ035028	NNNNRR 	C28H50N16O11	786.3845	NA	PeJP	NA	NA
+PJ035029	GGGGGGNRR 	C28H50N16O11	786.3846	NA	PeJP	NA	NA
+PJ035030	PPTMRW 	C36H54N10O8S	786.3847	NA	PeJP	NA	NA
+PJ035031	PLWWW 	C44H50N8O6	786.3854	NA	PeJP	NA	NA
+PJ035032	PKEEER 	C32H54N10O13	786.3872	NA	PeJP	NA	NA
+PJ035033	GPPVMMR 	C33H58N10O8S2	786.3881	NA	PeJP	NA	NA
+PJ035034	GDHFRR 	C33H50N14O9	786.3886	NA	PeJP	NA	NA
+PJ035035	PVKEEW 	C37H54N8O11	786.3912	NA	PeJP	NA	NA
+PJ035036	GAAPPLDF 	C37H54N8O11	786.3913	NA	PeJP	NA	NA
+PJ035037	STMHRR 	C30H54N14O9S	786.3919	NA	PeJP	NA	NA
+PJ035038	AAHFRW 	C38H50N12O7	786.3926	NA	PeJP	NA	NA
+PJ035039	SPPVKEM 	C34H58N8O11S	786.3946	NA	PeJP	NA	NA
+PJ035040	PVVFYY 	C42H54N6O9	786.3953	NA	PeJP	NA	NA
+PJ035041	PCKHFR 	C35H54N12O7S	786.396	NA	PeJP	NA	NA
+PJ035042	SSSTLHR 	C31H54N12O12	786.3984	NA	PeJP	NA	NA
+PJ035043	PTEERR 	C31H54N12O12	786.3985	NA	PeJP	NA	NA
+PJ035044	VVLMYY 	C39H58N6O9S	786.3986	NA	PeJP	NA	NA
+PJ035045	PPMMRR 	C32H58N12O7S2	786.3993	NA	PeJP	NA	NA
+3186	derivative of L-enkephalin	GGFLTRH	786.4	celiac toxic	Inhouse_peptide	NA	peptide
+PJ035046	SPLERW 	C36H54N10O10	786.4025	NA	PeJP	NA	NA
+PJ035047	AAPLEMR 	C33H58N10O10S	786.4058	NA	PeJP	NA	NA
+PJ035048	GPVVEMR 	C33H58N10O10S	786.4059	NA	PeJP	NA	NA
+PJ035049	SPVLWW 	C41H54N8O8	786.4065	NA	PeJP	NA	NA
+PJ035050	AQQERR 	C30H54N14O11	786.4097	NA	PeJP	NA	NA
+PJ035051	PLLQMW 	C38H58N8O8S	786.4099	NA	PeJP	NA	NA
+PJ035052	APTLKEE 	C34H58N8O13	786.4124	NA	PeJP	NA	NA
+PJ035053	APPLKMM 	C35H62N8O8S2	786.4132	NA	PeJP	NA	NA
+PJ035054	SPNKRW 	C35H54N12O9	786.4137	NA	PeJP	NA	NA
+PJ035055	PVEMRR 	C32H58N12O9S	786.4171	NA	PeJP	NA	NA
+PJ035056	GLKHFW 	C40H54N10O7	786.4177	NA	PeJP	NA	NA
+MJ094388	12-Oleanene-3,16,21,22,23,28-hexol, 21-O-Benzoyl, 3-O-?-D-glucuronopyranoside 	C43H62O13	786.419042	NA	MeJP	NA	NA
+MJ094389	12-Oleanene-3,16,21,22,23,28-hexol, 28-O-Benzoyl, 3-O-?-D-glucuronopyranoside 	C43H62O13	786.419042	NA	MeJP	NA	NA
+PJ035057	GNERRR 	C29H54N16O10	786.4209	NA	PeJP	NA	NA
+PJ035058	PVVMRW 	C37H58N10O7S	786.4211	NA	PeJP	NA	NA
+PJ035059	LLQEER 	C33H58N10O12	786.4236	NA	PeJP	NA	NA
+PJ035060	LKKMMH 	C34H62N10O7S2	786.4245	NA	PeJP	NA	NA
+PJ035061	AAQRRW 	C34H54N14O8	786.4249	NA	PeJP	NA	NA
+PJ035062	GGGVRRW 	C34H54N14O8	786.425	NA	PeJP	NA	NA
+PJ035063	VLLQEW 	C38H58N8O10	786.4276	NA	PeJP	NA	NA
+PJ035064	PCQKRR 	C31H58N14O8S	786.4283	NA	PeJP	NA	NA
+PJ035065	GPLLKEM 	C35H62N8O10S	786.431	NA	PeJP	NA	NA
+PJ035066	VVLFFY 	C43H58N6O8	786.4316	NA	PeJP	NA	NA
+PJ035067	VVEERR 	C32H58N12O11	786.4348	NA	PeJP	NA	NA
+PJ035068	AAAAAKER 	C32H58N12O11	786.4349	NA	PeJP	NA	NA
+PJ035069	NRRRW 	C33H54N16O7	786.4362	NA	PeJP	NA	NA
+PJ035070	ALLERW 	C37H58N10O9	786.4389	NA	PeJP	NA	NA
+MJ094390	Furost-5-ene-1,3,22,26-tetrol, 22-Me ether, 1,26-di-O-?-D-glucopyranoside 	C40H66O15	786.440171	NA	MeJP	NA	NA
+PJ035071	GPTLLMR 	C34H62N10O9S	786.4422	NA	PeJP	NA	NA
+PJ035072	GLLLWW 	C42H58N8O7	786.4429	NA	PeJP	NA	NA
+PJ035073	AQKERR 	C31H58N14O10	786.4461	NA	PeJP	NA	NA
+PJ035074	PLLKMW 	C39H62N8O7S	786.4463	NA	PeJP	NA	NA
+PJ035075	SPTLLKE 	C35H62N8O12	786.4487	NA	PeJP	NA	NA
+PJ035076	GVLLKEE 	C35H62N8O12	786.4488	NA	PeJP	NA	NA
+PJ035077	GLQKRW 	C36H58N12O8	786.4501	NA	PeJP	NA	NA
+PJ035078	PQKKMR 	C33H62N12O8S	786.4535	NA	PeJP	NA	NA
+PJ035079	GDKRRR 	C30H58N16O9	786.4573	NA	PeJP	NA	NA
+PJ035080	LLKEER 	C34H62N10O11	786.46	NA	PeJP	NA	NA
+MJ094391	Glycerol; 1-(10-Methylhexadecyl) ether, 2-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-xylopyranoside 	C37H70O17	786.4613	NA	MeJP	NA	NA
+PJ035081	AAKRRW 	C35H58N14O7	786.4613	NA	PeJP	NA	NA
+PJ035082	VLLKEW 	C39H62N8O9	786.464	NA	PeJP	NA	NA
+PJ035083	PCKKRR 	C32H62N14O7S	786.4647	NA	PeJP	NA	NA
+PJ035084	SPVLLKM 	C36H66N8O9S	786.4674	NA	PeJP	NA	NA
+PJ035085	GSRRRR 	C29H58N18O8	786.4685	NA	PeJP	NA	NA
+MJ094392	Fucoxanthinol; 19'-Hexanoyloxy, 4-oxo, 3'-Ac 	C48H66O9	786.470683	NA	MeJP	NA	NA
+PJ035086	TLLERR 	C33H62N12O10	786.4712	NA	PeJP	NA	NA
+PJ035087	SLLLRW 	C38H62N10O8	786.4752	NA	PeJP	NA	NA
+PJ035088	GGVLKKW 	C38H62N10O8	786.4753	NA	PeJP	NA	NA
+MJ094393	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094394	20,25-Epoxydammarane-3,6,12,24-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094395	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094396	21-Baccharene-3,18,27,28,29-pentol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094397	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 16-O-?-D-glucopyranoside 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094398	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6-O-?-D-glucopyranoside 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094399	Cycloartane-3,7,16,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094400	Dammar-23-ene-2,3,12,20,25-pentol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094401	Dammar-24-ene-2,3,12,20,26-pentol, 20-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+MJ094402	Dammar-24-ene-3,7,18,20,26-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H70O14	786.476556	NA	MeJP	NA	NA
+PJ035089	AALLLMR 	C35H66N10O8S	786.4786	NA	PeJP	NA	NA
+PJ035090	AKKERR 	C32H62N14O9	786.4825	NA	PeJP	NA	NA
+PJ035091	ATLLLKE 	C36H66N8O11	786.4851	NA	PeJP	NA	NA
+PJ035092	GLKKRW 	C37H62N12O7	786.4865	NA	PeJP	NA	NA
+PJ035093	PKKKMR 	C34H66N12O7S	786.4898	NA	PeJP	NA	NA
+PJ035094	VLLMRR 	C34H66N12O7S	786.4899	NA	PeJP	NA	NA
+PJ035095	ATKRRR 	C31H62N16O8	786.4937	NA	PeJP	NA	NA
+PJ035096	ATTLLLR 	C35H66N10O10	786.4964	NA	PeJP	NA	NA
+PJ035097	GPLLLKF 	C40H66N8O8	786.5004	NA	PeJP	NA	NA
+PJ035098	GLLLLKM 	C37H70N8O8S	786.5038	NA	PeJP	NA	NA
+PJ035099	VKKKER 	C34H66N12O9	786.5076	NA	PeJP	NA	NA
+PJ035100	VVKKKW 	C39H66N10O7	786.5116	NA	PeJP	NA	NA
+PJ035101	SLKKRR 	C33H66N14O8	786.5188	NA	PeJP	NA	NA
+PJ035102	STLLLLK 	C37H70N8O10	786.5215	NA	PeJP	NA	NA
+PJ035103	GTLLKKK 	C36H70N10O9	786.5328	NA	PeJP	NA	NA
+MJ094403	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-(8-ethoxycarbonyloctanoyl) 	C50H74O7	786.543454	NA	MeJP	NA	NA
+PJ035104	QKKKKK 	C35H70N12O8	786.544	NA	PeJP	NA	NA
+C04862	1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-	C40H86NO7P2S	786.56	NA	KEGG	NA	NA
+C04863	Nalpha-(2-naphthyl-sulfonyl-glycyl)-D-p-amidinopheyl-	C40H86NO7P2S	786.56	NA	KEGG	NA	NA
+PJ035105	KKKKKK 	C36H74N12O7	786.5804	NA	PeJP	NA	NA
+MetaCyc04138	1-18:1-2-18:1-sn-glycerol-3-phosphocholine []	C44H85N1O8P1	786.60128	NA	metacyc	NA	NA
+MJ094404	Calvasterone 	C56H82O2	786.631481	NA	MeJP	NA	NA
+EUR1099	SM(d18:1/22:0) monoisotopic mass 	C45H91N2O6P	786.661476	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1099	SM(d18:1/22:0) monoisotopic mass 	C45H91N2O6P	786.661476	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1099	SM(d18:1/22:0) monoisotopic mass 	C45H91N2O6P	786.661476	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1099	SM(d18:1/22:0) monoisotopic mass 	C45H91N2O6P	786.661476	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12092	SM(d18:0/22:1(13Z))	C45H91N2O6P	786.661499	NA	HMDB2010	NA	NA
+HMDB12103	SM(d18:1/22:0)	C45H91N2O6P	786.661499	NA	HMDB2010	NA	NA
+MJ094405	Amphiasterin A4 	C53H102O3	786.782897	NA	MeJP	NA	NA
+PJ035106	CCCDDDD 	C25H37N7O16S3	787.1459	NA	PeJP	NA	NA
+MetaCyc04139	FADH2 [flavin adenine dinucleotide reduced;1,5-dihydro-FAD;]	C27H35N9O15P2	787.172785	1910-41-4	metacyc	NA	NA
+HMDB01197	FADH	C27H35N9O15P2	787.17279	http://www.hmdb.ca/metabolites/HMDB01197	HMDB	NA	NA
+HMDB01197	FADH	C27H35N9O15P2	787.17279	HMDB01197	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01197	FADH	C27H35N9O15P2	787.172791	NA	HMDB2010	NA	NA
+C01352	FADH2	C27H35N9O15P2	787.1728	NA	KEGG	NA	NA
+PJ035107	CCCCNNE 	C25H41N9O12S4	787.1758	NA	PeJP	NA	NA
+PJ035108	SCCDDDM 	C26H41N7O15S3	787.1823	NA	PeJP	NA	NA
+PJ035109	PCCCCEM 	C27H45N7O10S5	787.1832	NA	PeJP	NA	NA
+PJ035110	GCCCCNW 	C29H41N9O9S4	787.191	NA	PeJP	NA	NA
+PJ035111	GGGCCCCW 	C29H41N9O9S4	787.1911	NA	PeJP	NA	NA
+PJ035112	GSSCCCND 	C25H41N9O14S3	787.1935	NA	PeJP	NA	NA
+PJ035113	GGGSSCCCD 	C25H41N9O14S3	787.1936	NA	PeJP	NA	NA
+PJ035114	GCCDEMM 	C27H45N7O12S4	787.2009	NA	PeJP	NA	NA
+FL7AACGL0052	Cyanidin 3-(6''-ferulylglucoside)-5-glucoside	C37H39O19	787.20855	79410-82-5	knapsack	NA	NA
+FL7AADGL0015	Penidin 3-[6-(3-glucosylcaffeyl)glucoside]	C37H39O19	787.20855	175737-95-8	knapsack	NA	NA
+FL7AAHGL0013	Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside	C37H39O19	787.20855	51939-66-3	knapsack	NA	NA
+PJ035115	SCCCNQM 	C26H45N9O11S4	787.2122	NA	PeJP	NA	NA
+PJ035116	GCCDDEF 	C30H41N7O14S2	787.2153	NA	PeJP	NA	NA
+PJ035117	CCDMMW 	C31H45N7O9S4	787.2162	NA	PeJP	NA	NA
+PJ035118	SSCDDMM 	C27H45N7O14S3	787.2187	NA	PeJP	NA	NA
+PJ035119	PTCCCMM 	C28H49N7O9S5	787.2196	NA	PeJP	NA	NA
+PJ035120	GCCCEHH 	C28H41N11O10S3	787.22	NA	PeJP	NA	NA
+PJ035121	SCCCCNR 	C25H45N11O10S4	787.2234	NA	PeJP	NA	NA
+PJ035122	GDDDDDH 	C28H37N9O18	787.2257	NA	PeJP	NA	NA
+PJ035123	GCCNNDY 	C29H41N9O13S2	787.2266	NA	PeJP	NA	NA
+FL7AADGL0008	Peonidin 3-gentiotrioside	C34H43O21	787.22968	-	knapsack	NA	NA
+FL7AADGL0009	Peonidin 3-sophoroside-5-glucoside	C34H43O21	787.22968	81360-22-7	knapsack	NA	NA
+FL7AAHGL0008	Petunidin 3-rutinoside-5-glucoside	C34H43O21	787.22968	40508-95-0	knapsack	NA	NA
+PJ035124	GSSSCCNM 	C26H45N9O13S3	787.2299	NA	PeJP	NA	NA
+PJ035125	CCDDFW 	C34H41N7O11S2	787.2306	NA	PeJP	NA	NA
+PJ035126	GSCDDEY 	C30H41N7O16S	787.2331	NA	PeJP	NA	NA
+PJ035127	GPCCDMY 	C31H45N7O11S3	787.2339	NA	PeJP	NA	NA
+PJ035128	CCCHHW 	C32H41N11O7S3	787.2353	NA	PeJP	NA	NA
+PJ035129	GSCEMMM 	C28H49N7O11S4	787.2373	NA	PeJP	NA	NA
+PJ035130	SSCCDHH 	C28H41N11O12S2	787.2378	NA	PeJP	NA	NA
+PJ035131	SPCDDDH 	C29H41N9O15S	787.2443	NA	PeJP	NA	NA
+PJ035132	GCCNNMF 	C30H45N9O10S3	787.2452	NA	PeJP	NA	NA
+PJ035133	SSSSSCCQ 	C26H45N9O15S2	787.2477	NA	PeJP	NA	NA
+PJ035134	SCDDYW 	C34H41N7O13S	787.2483	NA	PeJP	NA	NA
+PJ035135	SCCCNKM 	C27H49N9O10S4	787.2486	NA	PeJP	NA	NA
+PJ035136	SSSDDDY 	C30H41N7O18	787.2508	NA	PeJP	NA	NA
+PJ035137	NDDMMY 	C31H45N7O13S2	787.2517	NA	PeJP	NA	NA
+PJ035138	SCMMMW 	C32H49N7O8S4	787.2526	NA	PeJP	NA	NA
+C04330	5,10-Methenyltetrahydromethanopterin	C31H44N6O16P	787.2551	NA	KEGG	NA	NA
+PJ035139	SSSDMMM 	C28H49N7O13S3	787.2551	NA	PeJP	NA	NA
+MetaCyc04140	5,10-methylene-tetrahydromethanopterin [N5,N10-methylene-5,6,7,8-tetrahydromethanopterin;5,10-methylene-5,6,7,8-tetrahydromethanopterin;methylene-H4MPT;5,10-methylene-H4MPT;N5,N10-methylenetetrahydromethanopterin;]	C31H44N6O16P1	787.255141	NA	metacyc	NA	NA
+PJ035140	ACNNDDH 	C28H41N11O14S	787.2555	NA	PeJP	NA	NA
+PJ035141	GCNNDEH 	C28H41N11O14S	787.2556	NA	PeJP	NA	NA
+PJ035142	NMMMMM 	C29H53N7O8S5	787.2559	NA	PeJP	NA	NA
+PJ035143	GGMMMMM 	C29H53N7O8S5	787.256	NA	PeJP	NA	NA
+PJ035144	GTCCMHH 	C29H45N11O9S3	787.2564	NA	PeJP	NA	NA
+PJ035145	GSDDEEH 	C29H41N9O17	787.2621	NA	PeJP	NA	NA
+PJ035146	CCDERY 	C30H45N9O12S2	787.2629	NA	PeJP	NA	NA
+PJ035147	GGGGGSCMY 	C30H45N9O12S2	787.263	NA	PeJP	NA	NA
+PJ035148	GSSSSSSSC 	C26H45N9O17S	787.2654	NA	PeJP	NA	NA
+PJ035149	NDDDFY 	C34H41N7O15	787.2661	NA	PeJP	NA	NA
+PJ035150	GSSTCCCK 	C27H49N9O12S3	787.2663	NA	PeJP	NA	NA
+PJ035151	GCEMYW 	C35H45N7O10S2	787.267	NA	PeJP	NA	NA
+PJ035152	GSSDEMY 	C31H45N7O15S	787.2695	NA	PeJP	NA	NA
+PJ035153	GSPCMMY 	C32H49N7O10S3	787.2703	NA	PeJP	NA	NA
+PJ035154	CNNDHW 	C32H41N11O11S	787.2708	NA	PeJP	NA	NA
+PJ035155	SSNNDDH 	C28H41N11O16	787.2733	NA	PeJP	NA	NA
+PJ035156	GSTMMMM 	C29H53N7O10S4	787.2737	NA	PeJP	NA	NA
+PJ035157	SSSCMHH 	C29H45N11O11S2	787.2742	NA	PeJP	NA	NA
+PJ035158	SDDEHW 	C33H41N9O14	787.2773	NA	PeJP	NA	NA
+PJ035159	PCDMHW 	C34H45N9O9S2	787.2782	NA	PeJP	NA	NA
+PJ035160	SSSCNQY 	C30H45N9O14S	787.2807	NA	PeJP	NA	NA
+PJ035161	CCEMFR 	C31H49N9O9S3	787.2816	NA	PeJP	NA	NA
+PJ035162	CMYWW 	C39H45N7O7S2	787.2822	NA	PeJP	NA	NA
+PJ035163	SSSSSCCK 	C27H49N9O14S2	787.2841	NA	PeJP	NA	NA
+PJ035164	SSDMYW 	C35H45N7O12S	787.2847	NA	PeJP	NA	NA
+PJ035165	TCCCCKK 	C28H53N9O9S4	787.2849	NA	PeJP	NA	NA
+PJ035166	ACMMFW 	C36H49N7O7S3	787.2856	NA	PeJP	NA	NA
+PJ035167	SSSSEEY 	C31H45N7O17	787.2872	NA	PeJP	NA	NA
+PJ035168	SQEMMY 	C32H49N7O12S2	787.2881	NA	PeJP	NA	NA
+PJ035169	CNMHHF 	C33H45N11O8S2	787.2894	NA	PeJP	NA	NA
+MJ094406	Phyllanthusol B; 4''-Hydroxy 	C35H49NO19	787.289878	NA	MeJP	NA	NA
+PJ035170	SSTTMMM 	C29H53N7O12S3	787.2914	NA	PeJP	NA	NA
+PJ035171	DDDMHR 	C29H45N11O13S	787.2919	NA	PeJP	NA	NA
+PJ035172	GGGGGSEMH 	C29H45N11O13S	787.292	NA	PeJP	NA	NA
+PJ035173	CNNQFY 	C34H45N9O11S	787.2959	NA	PeJP	NA	NA
+PJ035174	GEEMHW 	C34H45N9O11S	787.296	NA	PeJP	NA	NA
+PJ035175	GSSSSSNY 	C30H45N9O16	787.2984	NA	PeJP	NA	NA
+PJ035176	GGGSSSSSY 	C30H45N9O16	787.2985	NA	PeJP	NA	NA
+PJ035177	SCEMRY 	C31H49N9O11S2	787.2993	NA	PeJP	NA	NA
+PJ035178	NDEHHH 	C31H41N13O12	787.2998	NA	PeJP	NA	NA
+PJ035179	GPCYYW 	C39H45N7O9S	787.3	NA	PeJP	NA	NA
+PJ035180	GQEEYY 	C35H45N7O14	787.3025	NA	PeJP	NA	NA
+PJ035181	GSCNDHR 	C28H45N13O12S	787.3032	NA	PeJP	NA	NA
+PJ035182	GTMMYW 	C36H49N7O9S2	787.3033	NA	PeJP	NA	NA
+PJ035183	GAPCMFY 	C36H49N7O9S2	787.3034	NA	PeJP	NA	NA
+MJ094407	Nogalamycin 	C39H49NO16	787.305134	NA	MeJP	NA	NA
+PJ035184	GSTTEMY 	C32H49N7O14S	787.3058	NA	PeJP	NA	NA
+PJ035185	GPPEEEM 	C32H49N7O14S	787.3059	NA	PeJP	NA	NA
+PJ035186	VNMMMY 	C33H53N7O9S3	787.3067	NA	PeJP	NA	NA
+PJ035187	SNNMHW 	C33H45N11O10S	787.3072	NA	PeJP	NA	NA
+PJ035188	GPNDDDR 	C29H45N11O15	787.3097	NA	PeJP	NA	NA
+PJ035189	NQQMMH 	C30H49N11O10S2	787.3105	NA	PeJP	NA	NA
+PJ035190	GGQQMMH 	C30H49N11O10S2	787.3106	NA	PeJP	NA	NA
+PJ035191	EMHWW 	C38H45N9O8S	787.3112	NA	PeJP	NA	NA
+PJ035192	STEEHW 	C34H45N9O13	787.3137	NA	PeJP	NA	NA
+PJ035193	SPMMHW 	C35H49N9O8S2	787.3146	NA	PeJP	NA	NA
+PJ035194	GDHHHW 	C35H41N13O9	787.3151	NA	PeJP	NA	NA
+PJ035195	CFFWW 	C43H45N7O6S	787.3152	NA	PeJP	NA	NA
+PJ035196	SSSCNKY 	C31H49N9O13S	787.3171	NA	PeJP	NA	NA
+PJ035197	QEYYW 	C39H45N7O11	787.3177	NA	PeJP	NA	NA
+PJ035198	GMMMRY 	C32H53N9O8S3	787.318	NA	PeJP	NA	NA
+PJ035199	GPTCHHH 	C32H45N13O9S	787.3184	NA	PeJP	NA	NA
+PJ035200	GNNNNQQ 	C28H45N13O14	787.3209	NA	PeJP	NA	NA
+PJ035201	GGGGGGGGGQQ 	C28H45N13O14	787.321	NA	PeJP	NA	NA
+PJ035202	STTMYW 	C36H49N7O11S	787.3211	NA	PeJP	NA	NA
+PJ035203	CNQMHR 	C29H49N13O9S2	787.3218	NA	PeJP	NA	NA
+PJ035204	SSTTTEY 	C32H49N7O16	787.3236	NA	PeJP	NA	NA
+PJ035205	SKEMMY 	C33H53N7O11S2	787.3245	NA	PeJP	NA	NA
+PJ035206	GSSSQHW 	C33H45N11O12	787.3249	NA	PeJP	NA	NA
+PJ035207	GGGSSTHW 	C33H45N11O12	787.325	NA	PeJP	NA	NA
+PJ035208	SEEMHR 	C30H49N11O12S	787.3283	NA	PeJP	NA	NA
+PJ035209	GGGGGGGAAPM 	C30H49N11O12S	787.3284	NA	PeJP	NA	NA
+PJ035210	GPNEWW 	C38H45N9O10	787.329	NA	PeJP	NA	NA
+PJ035211	SVEMHW 	C35H49N9O10S	787.3323	NA	PeJP	NA	NA
+PJ035212	GGGSPPMW 	C35H49N9O10S	787.3324	NA	PeJP	NA	NA
+PJ035213	AYYWW 	C43H45N7O8	787.333	NA	PeJP	NA	NA
+PJ035214	SSSLEEH 	C31H49N9O15	787.3348	NA	PeJP	NA	NA
+PJ035215	PEEEER 	C31H49N9O15	787.3349	NA	PeJP	NA	NA
+PJ035216	STMMRY 	C32H53N9O10S2	787.3357	NA	PeJP	NA	NA
+PJ035217	TQEHHH 	C32H45N13O11	787.3362	NA	PeJP	NA	NA
+PJ035218	AAMFYW 	C40H49N7O8S	787.3364	NA	PeJP	NA	NA
+PJ035219	PVEEEW 	C36H49N7O13	787.3389	NA	PeJP	NA	NA
+PJ035220	GSTCQHR 	C29H49N13O11S	787.3395	NA	PeJP	NA	NA
+PJ035221	GSSNMHR 	C29H49N13O11S	787.3396	NA	PeJP	NA	NA
+PJ035222	PCKMFY 	C37H53N7O8S2	787.3397	NA	PeJP	NA	NA
+3732	NA	YPFGFTG	787.34	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ035223	GNQHFW 	C37H45N11O9	787.3402	NA	PeJP	NA	NA
+MJ094408	Cosmomycin B; 1-Hydroxy 	C40H53NO15	787.34152	NA	MeJP	NA	NA
+PJ035224	SSSTLMY 	C33H53N7O13S	787.3422	NA	PeJP	NA	NA
+PJ035225	CLKMMY 	C34H57N7O8S3	787.3431	NA	PeJP	NA	NA
+PJ035226	SCQKHW 	C34H49N11O9S	787.3436	NA	PeJP	NA	NA
+PJ035227	PNWWW 	C42H45N9O7	787.3442	NA	PeJP	NA	NA
+PJ035228	GSPNEER 	C30H49N11O14	787.3461	NA	PeJP	NA	NA
+PJ035229	APPCNMR 	C31H53N11O9S2	787.3469	NA	PeJP	NA	NA
+PJ035230	VDMMHR 	C31H53N11O9S2	787.347	NA	PeJP	NA	NA
+PJ035231	SDHHHR 	C31H45N15O10	787.3474	NA	PeJP	NA	NA
+PJ035232	APMHFW 	C39H49N9O7S	787.3476	NA	PeJP	NA	NA
+PJ035233	PNDKEW 	C35H49N9O12	787.3501	NA	PeJP	NA	NA
+PJ035234	ALMMHW 	C36H53N9O7S2	787.351	NA	PeJP	NA	NA
+PJ035235	ATHHHW 	C36H45N13O8	787.3514	NA	PeJP	NA	NA
+PJ035236	GGPHHHF 	C36H45N13O8	787.3515	NA	PeJP	NA	NA
+PJ035237	GTTLEMH 	C32H53N9O12S	787.3535	NA	PeJP	NA	NA
+PJ035238	KEYYW 	C40H49N7O10	787.3541	NA	PeJP	NA	NA
+PJ035239	VQMHHH 	C33H49N13O8S	787.3548	NA	PeJP	NA	NA
+PJ035240	SSSSQHR 	C29H49N13O13	787.3573	NA	PeJP	NA	NA
+PJ035241	GGGGGGGGGGAK 	C29H49N13O13	787.3574	NA	PeJP	NA	NA
+PJ035242	SPKMYY 	C37H53N7O10S	787.3575	NA	PeJP	NA	NA
+PJ035243	GPPCCRR 	C30H53N13O8S2	787.3582	NA	PeJP	NA	NA
+PJ035244	TTTTTTY 	C33H53N7O15	787.36	NA	PeJP	NA	NA
+PJ035245	APPLEMM 	C34H57N7O10S2	787.3609	NA	PeJP	NA	NA
+PJ035246	SPNERW 	C34H49N11O11	787.3613	NA	PeJP	NA	NA
+PJ035247	GGGGGGLQW 	C34H49N11O11	787.3614	NA	PeJP	NA	NA
+PJ035248	PQQEMR 	C31H53N11O11S	787.3647	NA	PeJP	NA	NA
+PJ035249	APTQWW 	C39H49N9O9	787.3653	NA	PeJP	NA	NA
+PJ035250	GPDKWW 	C39H49N9O9	787.3654	NA	PeJP	NA	NA
+PJ035251	AMHHHR 	C32H49N15O7S	787.3661	NA	PeJP	NA	NA
+PJ035252	NNNDRR 	C28H49N15O12	787.3685	NA	PeJP	NA	NA
+PJ035253	GGNNDRR 	C28H49N15O12	787.3686	NA	PeJP	NA	NA
+PJ035254	TTLMHW 	C36H53N9O9S	787.3687	NA	PeJP	NA	NA
+PJ035255	AAFFFW 	C44H49N7O7	787.3694	NA	PeJP	NA	NA
+PJ035256	STTTLEH 	C32H53N9O14	787.3712	NA	PeJP	NA	NA
+PJ035257	GGGGALLDE 	C32H53N9O14	787.3713	NA	PeJP	NA	NA
+PJ035258	LKEMMH 	C33H57N9O9S2	787.3721	NA	PeJP	NA	NA
+PJ035259	GNQQRW 	C33H49N13O10	787.3726	NA	PeJP	NA	NA
+PJ035260	PCKFFF 	C41H53N7O7S	787.3728	NA	PeJP	NA	NA
+PJ035261	SVKEYY 	C37H53N7O12	787.3752	NA	PeJP	NA	NA
+PJ035262	PPPVTDY 	C37H53N7O12	787.3753	NA	PeJP	NA	NA
+PJ035263	PNDMRR 	C30H53N13O10S	787.3759	NA	PeJP	NA	NA
+PJ035264	GGPDMRR 	C30H53N13O10S	787.376	NA	PeJP	NA	NA
+PJ035265	CLKMFF 	C38H57N7O7S2	787.3761	NA	PeJP	NA	NA
+PJ035266	GSPRWW 	C38H49N11O8	787.3766	NA	PeJP	NA	NA
+PJ035267	GPLLEEM 	C34H57N7O12S	787.3786	NA	PeJP	NA	NA
+PJ035268	MRRYY 	C35H53N11O8S	787.3799	NA	PeJP	NA	NA
+PJ035269	APQMRW 	C35H53N11O8S	787.38	NA	PeJP	NA	NA
+PJ035270	LHFWW 	C43H49N9O6	787.3806	NA	PeJP	NA	NA
+PJ035271	SSTTQKH 	C31H53N11O13	787.3824	NA	PeJP	NA	NA
+PJ035272	VQQEER 	C31H53N11O13	787.3825	NA	PeJP	NA	NA
+PJ035273	TLMMHR 	C32H57N11O8S2	787.3833	NA	PeJP	NA	NA
+PJ035274	TTHHHR 	C32H49N15O9	787.3838	NA	PeJP	NA	NA
+PJ035275	PTQKEW 	C36H53N9O11	787.3865	NA	PeJP	NA	NA
+PJ035276	SSTLLMH 	C33H57N9O11S	787.3898	NA	PeJP	NA	NA
+PJ035277	VVTTTMH 	C33H57N9O11S	787.3899	NA	PeJP	NA	NA
+PJ035278	PPLEFW 	C41H53N7O9	787.3905	NA	PeJP	NA	NA
+PJ035279	APCRRW 	C34H53N13O7S	787.3912	NA	PeJP	NA	NA
+PJ035280	AQEERR 	C30H53N13O12	787.3937	NA	PeJP	NA	NA
+PJ035281	PLLEMW 	C38H57N7O9S	787.3939	NA	PeJP	NA	NA
+PJ035282	GVLLEEE 	C34H57N7O14	787.3964	NA	PeJP	NA	NA
+PJ035283	SPPILMM 	C35H61N7O9S2	787.3972	NA	PeJP	NA	NA
+PJ035284	SPPLLMM 	C35H61N7O9S2	787.3973	NA	PeJP	NA	NA
+PJ035285	GLQERW 	C35H53N11O10	787.3977	NA	PeJP	NA	NA
+MJ094409	Carboxymycobactins; Carboxymycobactin 4 	C39H57N5O12	787.400372	NA	MeJP	NA	NA
+PJ035286	PQKEMR 	C32H57N11O10S	787.4011	NA	PeJP	NA	NA
+PJ035287	APTKWW 	C40H53N9O8	787.4017	NA	PeJP	NA	NA
+PJ035288	GGGLLWW 	C40H53N9O8	787.4018	NA	PeJP	NA	NA
+PJ035289	GDERRR 	C29H53N15O11	787.4049	NA	PeJP	NA	NA
+PJ035290	GGGGGATRR 	C29H53N15O11	787.405	NA	PeJP	NA	NA
+PJ035291	PVQKMW 	C37H57N9O8S	787.4051	NA	PeJP	NA	NA
+PJ035292	LLEEER 	C33H57N9O13	787.4076	NA	PeJP	NA	NA
+PJ035293	GPPKKMM 	C34H61N9O8S2	787.4085	NA	PeJP	NA	NA
+PJ035294	SNKHFR 	C34H53N13O9	787.4089	NA	PeJP	NA	NA
+PJ035295	AAERRW 	C34H53N13O9	787.409	NA	PeJP	NA	NA
+PJ035296	VLLEEW 	C38H57N7O11	787.4116	NA	PeJP	NA	NA
+PJ035297	PTQMRR 	C31H57N13O9S	787.4123	NA	PeJP	NA	NA
+PJ035298	LQRWW 	C39H53N11O7	787.413	NA	PeJP	NA	NA
+PJ035299	SPVLLEM 	C35H61N7O11S	787.415	NA	PeJP	NA	NA
+MJ094410	Antibiotic YF 044P-D 	C43H57N5O9	787.415628	NA	MeJP	NA	NA
+PJ035300	APKMRW 	C36H57N11O7S	787.4164	NA	PeJP	NA	NA
+3699	NA	NRKQDK	787.4168	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ035301	LNKEER 	C32H57N11O12	787.4188	NA	PeJP	NA	NA
+PJ035302	VQKEER 	C32H57N11O12	787.4189	NA	PeJP	NA	NA
+PJ035303	DRRRW 	C33H53N15O8	787.4202	NA	PeJP	NA	NA
+PJ035304	PTKKEW 	C37H57N9O10	787.4229	NA	PeJP	NA	NA
+PJ035305	PTCRRR 	C30H57N15O8S	787.4236	NA	PeJP	NA	NA
+PJ035306	APVDKKM 	C34H61N9O10S	787.4262	NA	PeJP	NA	NA
+PJ035307	GPVKKEM 	C34H61N9O10S	787.4263	NA	PeJP	NA	NA
+PJ035308	PPLLYW 	C42H57N7O8	787.4269	NA	PeJP	NA	NA
+PJ035309	AKEERR 	C31H57N13O11	787.4301	NA	PeJP	NA	NA
+PJ035310	APPLLMF 	C39H61N7O8S	787.4303	NA	PeJP	NA	NA
+PJ035311	ATLLLEE 	C35H61N7O13	787.4328	NA	PeJP	NA	NA
+PJ035312	APLLLMM 	C36H65N7O8S2	787.4336	NA	PeJP	NA	NA
+PJ035313	GLKERW 	C36H57N11O9	787.4341	NA	PeJP	NA	NA
+PJ035314	PKKEMR 	C33H61N11O9S	787.4375	NA	PeJP	NA	NA
+PJ035315	GVLKWW 	C41H57N9O7	787.4381	NA	PeJP	NA	NA
+PJ035316	ATERRR 	C30H57N15O10	787.4413	NA	PeJP	NA	NA
+PJ035317	PVKKMW 	C38H61N9O7S	787.4415	NA	PeJP	NA	NA
+PJ035318	AALKKEE 	C34H61N9O12	787.444	NA	PeJP	NA	NA
+PJ035319	GTLRRW 	C35H57N13O8	787.4453	NA	PeJP	NA	NA
+PJ035320	GGGKKRW 	C35H57N13O8	787.4454	NA	PeJP	NA	NA
+PJ035321	SPPVLLY 	C39H61N7O10	787.448	NA	PeJP	NA	NA
+PJ035322	PTKMRR 	C32H61N13O8S	787.4487	NA	PeJP	NA	NA
+PJ035323	LKRWW 	C40H57N11O6	787.4494	NA	PeJP	NA	NA
+MJ094411	Fujimycin; 31-O-De-Me, 31-ketone 	C43H65NO12	787.450676	NA	MeJP	NA	NA
+PJ035324	GLLLLEM 	C36H65N7O10S	787.4514	NA	PeJP	NA	NA
+PJ035325	VKKEER 	C33H61N11O11	787.4552	NA	PeJP	NA	NA
+PJ035326	GGAAKKKE 	C33H61N11O11	787.4553	NA	PeJP	NA	NA
+PJ035327	GPFRRR 	C34H57N15O7	787.4566	NA	PeJP	NA	NA
+PJ035328	VVKKEW 	C38H61N9O9	787.4593	NA	PeJP	NA	NA
+PJ035329	GLMRRR 	C31H61N15O7S	787.46	NA	PeJP	NA	NA
+PJ035330	APTLKKM 	C35H65N9O9S	787.4626	NA	PeJP	NA	NA
+PJ035331	PLLLFW 	C43H61N7O7	787.4633	NA	PeJP	NA	NA
+PJ035332	SLKERR 	C32H61N13O10	787.4665	NA	PeJP	NA	NA
+PJ035333	LLLLMW 	C40H65N7O7S	787.4667	NA	PeJP	NA	NA
+PJ035334	STLLLLE 	C36H65N7O12	787.4691	NA	PeJP	NA	NA
+PJ035335	TTILLLD 	C36H65N7O12	787.4692	NA	PeJP	NA	NA
+PJ035336	SVLKRW 	C37H61N11O8	787.4705	NA	PeJP	NA	NA
+MJ094412	Erythromycin D; 3'',4''-Di-O-Ac 	C40H69NO14	787.471805	NA	MeJP	NA	NA
+PJ035337	LLQKMR 	C34H65N11O8S	787.4739	NA	PeJP	NA	NA
+PJ035338	STLRRR 	C31H61N15O9	787.4777	NA	PeJP	NA	NA
+PJ035339	GTLLKKE 	C35H65N9O11	787.4804	NA	PeJP	NA	NA
+PJ035340	LLLHHR 	C36H61N13O7	787.4817	NA	PeJP	NA	NA
+PJ035341	GPLLLLY 	C40H65N7O9	787.4844	NA	PeJP	NA	NA
+PJ035342	VVKMRR 	C33H65N13O7S	787.4851	NA	PeJP	NA	NA
+PJ035343	SVLLLLM 	C37H69N7O9S	787.4878	NA	PeJP	NA	NA
+PJ035344	GTTLLKR 	C34H65N11O10	787.4916	NA	PeJP	NA	NA
+PJ035345	TLLKKW 	C39H65N9O8	787.4956	NA	PeJP	NA	NA
+PJ035346	GPVLKKF 	C39H65N9O8	787.4957	NA	PeJP	NA	NA
+PJ035347	GVLLKKM 	C36H69N9O8S	787.499	NA	PeJP	NA	NA
+PJ035348	TQKKKR 	C33H65N13O9	787.5029	NA	PeJP	NA	NA
+MJ094413	Nephilatoxin 3 	C38H65N11O7	787.506843	NA	MeJP	NA	NA
+PJ035349	AKKKKW 	C38H65N11O7	787.5069	NA	PeJP	NA	NA
+PJ035350	LLKKMR 	C35H69N11O7S	787.5102	NA	PeJP	NA	NA
+HMDB09111	PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09142	PE(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09143	PE(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09175	PE(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09176	PE(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09207	PE(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09335	PE(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09368	PE(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09399	PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09400	PE(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09432	PE(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09433	PE(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09463	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09464	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09591	PE(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09622	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09623	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09655	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09656	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB09687	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	C45H74NO8P	787.515198	NA	HMDB2010	NA	NA
+HMDB05351	GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U]	C45H74NO8P	787.5152	http://www.hmdb.ca/metabolites/HMDB05351	HMDB	NA	NA
+HMDB05351	GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U]	C45H74NO8P	787.5152	HMDB05351	PFEM_hmdb_metabocards_official	NA	NA
+MJ094414	Tetraiodomercurate(2-); Di-K salt 	HgI4K2	787.515913	NA	MeJP	NA	NA
+PJ035351	SSLLLKK 	C36H69N9O10	787.5168	NA	PeJP	NA	NA
+C11607	N-Acetyl-leu-leu-leu-leu-leu-tyr-amide	C41H69N7O8	787.5208	NA	KEGG	NA	NA
+PJ035352	GLLLLLF 	C41H69N7O8	787.5208	NA	PeJP	NA	NA
+PJ035353	KKKKKE 	C35H69N11O9	787.528	NA	PeJP	NA	NA
+HMDB12380	PS(18:0/18:2(9Z,12Z))	C42H78NO10P	787.536316	NA	HMDB2010	NA	NA
+HMDB12390	PS(18:1(9Z)/18:1(9Z))	C42H78NO10P	787.536316	NA	HMDB2010	NA	NA
+HMDB12400	PS(18:2(9Z,12Z)/18:0)	C42H78NO10P	787.536316	NA	HMDB2010	NA	NA
+PJ035354	TKKKKR 	C34H69N13O8	787.5392	NA	PeJP	NA	NA
+EUR959	PC 36:1 monoisotopic mass 	C44H86NO8P	787.609107	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR959	PC 36:1 monoisotopic mass 	C44H86NO8P	787.609107	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR959	PC 36:1 monoisotopic mass 	C44H86NO8P	787.609107	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR959	PC 36:1 monoisotopic mass 	C44H86NO8P	787.609107	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07887	PC(14:0/22:1(13Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB07919	PC(14:1(9Z)/22:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB07978	PC(16:0/20:1(11Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08010	PC(16:1(9Z)/20:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08037	PC(18:0/18:1(11Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08038	PC(18:0/18:1(9Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08069	PC(18:1(11Z)/18:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08102	PC(18:1(9Z)/18:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08266	PC(20:0/16:1(9Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08298	PC(20:1(11Z)/16:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08526	PC(22:0/14:1(9Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08558	PC(22:1(13Z)/14:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB08915	PE(15:0/24:1(15Z))	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+HMDB09747	PE(24:1(15Z)/15:0)	C44H86NO8P	787.609131	NA	HMDB2010	NA	NA
+MJ094415	Acanthacerebroside C 	C44H85NO10	787.617347	NA	MeJP	NA	NA
+MJ094416	Astrocerebrosides; Astrocerebroside B 	C44H85NO10	787.617347	NA	MeJP	NA	NA
+HMDB09511	PE(22:0/P-18:0)	C45H90NO7P	787.645508	NA	HMDB2010	NA	NA
+HMDB09741	PE(24:0/P-16:0)	C45H90NO7P	787.645508	NA	HMDB2010	NA	NA
+HMDB11362	PE(P-16:0/24:0)	C45H90NO7P	787.645508	NA	HMDB2010	NA	NA
+HMDB11388	PE(P-18:0/22:0)	C45H90NO7P	787.645508	NA	HMDB2010	NA	NA
+MJ094417	Mauritiamine 	C22H20Br4N10O3	787.845335	NA	MeJP	NA	NA
+MJ094418	Ageliferin; 2,2'-Dibromo, 1'-N-Me 	C23H24Br4N10O2	787.88172	NA	MeJP	NA	NA
+HMDB01379	Diguanosine triphosphate	C20H27N10O18P3	788.071777	NA	HMDB2010	NA	NA
+HMDB01379	Diguanosine triphosphate	C20H27N10O18P3	788.07178	http://www.hmdb.ca/metabolites/HMDB01379	HMDB	NA	NA
+HMDB01379	Diguanosine triphosphate	C20H27N10O18P3	788.07178	HMDB01379	PFEM_hmdb_metabocards_official	NA	NA
+C04516	1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose	C34H28O22	788.1072	NA	KEGG	NA	NA
+C04517	1-(1-Alkenyl)-sn-glycero-3-phosphocholine	C10H22NO6PR	788.1072	NA	KEGG	NA	NA
+C10243	1,2,3,4-Tetragalloyl-alpha-D-glucose	C34H28O22	788.1072	NA	KEGG	NA	NA
+MJ094419	1,2,3,4-Tetragalloylglucose; ?-D-Pyranose-form 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MJ094420	1,2,3,6-Tetragalloylglucose; ?-D-Pyranose-form 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MJ094421	1,2,4,6-Tetragalloylglucose; ?-D-Pyranose-form 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MJ094422	1,3,4,6-Tetragalloylglucose; ?-D-Pyranose-form 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MJ094423	2,3,4,6-Tetragalloylglucose; D-Pyranose-form 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MJ094424	2-C-Hydroxymethylribose; D-Furanose-form, 1,2',3,5-Tetrakis(3,4,5-trihydroxybenzoyl) 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MJ094425	Allose; ?-D-Pyranose-form, 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl) 	C34H28O22	788.107222	NA	MeJP	NA	NA
+MetaCyc04141	1,2,3,6-tetrakis-O-galloyl-&beta;-D-glucose []	C34H28O22	788.107223	NA	metacyc	NA	NA
+PJ035355	CCCCNDE 	C25H40N8O13S4	788.1598	NA	PeJP	NA	NA
+PJ035356	GCCCCDW 	C29H40N8O10S4	788.1751	NA	PeJP	NA	NA
+PJ035357	GSSCCCDD 	C25H40N8O15S3	788.1776	NA	PeJP	NA	NA
+PJ035358	GPTCCCCC 	C26H44N8O10S5	788.1784	NA	PeJP	NA	NA
+FL3FECGS0022	6-Hydroxyluteoin-7-(6'''-caffeylsophoroside)	C36H36O20	788.17999	113720-07-3	knapsack	NA	NA
+FL5FACGL0064	Quercetin 3-(2'''-caffeylsophoroside)	C36H36O20	788.17999	162556-38-9	knapsack	NA	NA
+FL5FACGS0104	Madreselvin B;Quercetin 3-(6'''-caffeoylgentiobioside);2-(3,4-Dihydroxyphenyl)-3-[[6-O-[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one	C36H36O20	788.17999	188682-90-8	knapsack	NA	NA
+FL5FACGS0105	Quercetin 3-(6''-caffeoylsophoroside);2-(3,4-Dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one	C36H36O20	788.17999	365544-18-9	knapsack	NA	NA
+MJ094426	3',4',5,6,7-Pentahydroxyflavone; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C36H36O20	788.179993	NA	MeJP	NA	NA
+MJ094427	3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4-Dihydroxycinnamoyl-(??)-sophoroside] 	C36H36O20	788.179993	NA	MeJP	NA	NA
+MJ094428	Isoquercitrin; 2''-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl] 	C36H36O20	788.179993	NA	MeJP	NA	NA
+MJ094429	Isoquercitrin; 6''-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl](E-) 	C36H36O20	788.179993	NA	MeJP	NA	NA
+MJ094430	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C36H37O20(+)	788.179993	NA	MeJP	NA	NA
+PJ035359	SCCCNEM 	C26H44N8O12S4	788.1962	NA	PeJP	NA	NA
+C12668	Quercetin	C33H40O22	788.2011	NA	KEGG	NA	NA
+C12669	Transferred to D01240	C33H40O22	788.2011	NA	KEGG	NA	NA
+C12670	Transferred to D01241	C33H40O22	788.2011	NA	KEGG	NA	NA
+C12671	Transferred to D01242	C33H40O22	788.2011	NA	KEGG	NA	NA
+C12672	Transferred to D01243	C33H40O22	788.2011	NA	KEGG	NA	NA
+FL5FACGL0020	Quercetin 3-sophorotrioside	C33H40O22	788.20112	38681-85-5	knapsack	NA	NA
+FL5FACGL0027	Quercetin 3-(2G-glucosylgentiobioside)	C33H40O22	788.20112	55696-56-5	knapsack	NA	NA
+FL5FACGL0033	Quercetin 3-sophoroside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C33H40O22	788.20112	42903-93-5	knapsack	NA	NA
+FL5FACGL0036	Quercetin 3-gentiobioside-7-glucoside	C33H40O22	788.20112	84534-23-6	knapsack	NA	NA
+FL5FACGL0046	Quercetin 3-glucoside-7-sophoroside	C33H40O22	788.20112	144396-08-7	knapsack	NA	NA
+FL5FACGL0050	Quercetin 3,7,4'-triglucoside	C33H40O22	788.20112	133563-23-2	knapsack	NA	NA
+FL5FACGS0076	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside;3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O22	788.20112	197250-97-8	knapsack	NA	NA
+FL5FACGS0082	Quercetin 3-glucosyl-(1->2)-galactoside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C33H40O22	788.20112	382143-42-2	knapsack	NA	NA
+FL5FACGS0084	Quercetin 3,3',4'-triglucoside;2-[3,4-Bis(beta-D-glucopyranosyloxy)phenyl]-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one	C33H40O22	788.20112	352639-75-9	knapsack	NA	NA
+FL5FAGGL0007	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside	C33H40O22	788.20112	-	knapsack	NA	NA
+FL5FAGGL0008	Myricetin 3-rutinoside-7-glucoside	C33H40O22	788.20112	55481-92-0	knapsack	NA	NA
+FL5FAGGS0026	Myricetin 3-glucosyl-(1->2)-rhamnoside-7-glucoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	C33H40O22	788.20112	245036-43-5	knapsack	NA	NA
+FL5FEAGL0004	6-Hydroxykaempferol 3,6,7-triglucoside	C33H40O22	788.20112	145134-62-9	knapsack	NA	NA
+FL5FECGL0007	Patuletin 3-glucosyl-(1->6)[apiosyl-(1->2)-glucoside]	C33H40O22	788.20112	101021-30-1	knapsack	NA	NA
+FL5FFAGL0003	Herbacetin 3-sophoroside-8-glucoside	C33H40O22	788.20112	77298-68-1	knapsack	NA	NA
+MJ094431	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094432	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-L-rhamnopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094433	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094434	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094435	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094436	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094437	3,4',5,6,7-Pentahydroxyflavone; 3,6,7-Tri-O-?-D-glucopyranoside 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094438	3,4',5,7,8-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 8-O-?-D-glucopyranoside 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094439	Isoquercitrin; 2''-O-[? D-Glucopyranosyl-(1?2)-?-D-galactopyranosyl] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094440	Isoquercitrin; 4',7-Di-O-?-D-glucopyranoside 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094441	Isoquercitrin; 6''-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094442	Quercimeritrin; 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094443	Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094444	Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094445	Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O22	788.201122	NA	MeJP	NA	NA
+MJ094446	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,3',7-Tri-O-?-D-glucopyranoside 	C33H41O22(+)	788.201122	NA	MeJP	NA	NA
+MJ094447	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C33H41O22(+)	788.201122	NA	MeJP	NA	NA
+PJ035360	SCCCCDR 	C25H44N10O11S4	788.2074	NA	PeJP	NA	NA
+PJ035361	GCCNDDY 	C29H40N8O14S2	788.2106	NA	PeJP	NA	NA
+PJ035362	GSCCCMW 	C30H44N8O9S4	788.2114	NA	PeJP	NA	NA
+PJ035363	GGPCCCCF 	C30H44N8O9S4	788.2115	NA	PeJP	NA	NA
+PJ035364	GSSSCCDM 	C26H44N8O14S3	788.2139	NA	PeJP	NA	NA
+PJ035365	GCCNMMM 	C27H48N8O9S5	788.2148	NA	PeJP	NA	NA
+PJ035366	ACCCCMR 	C26H48N10O8S5	788.226	NA	PeJP	NA	NA
+PJ035367	VCCCCCR 	C26H48N10O8S5	788.2261	NA	PeJP	NA	NA
+PJ035368	SSTCCCW 	C30H44N8O11S3	788.2292	NA	PeJP	NA	NA
+PJ035369	SSSSSCCE 	C26H44N8O16S2	788.2317	NA	PeJP	NA	NA
+PJ035370	SSCCQMM 	C27H48N8O11S4	788.2326	NA	PeJP	NA	NA
+PJ035371	DDDMMY 	C31H44N6O14S2	788.2357	NA	PeJP	NA	NA
+PJ035372	GCNDDEH 	C28H40N10O15S	788.2396	NA	PeJP	NA	NA
+PJ035373	DMMMMM 	C29H52N6O9S5	788.24	NA	PeJP	NA	NA
+PJ035374	SSCCCMR 	C26H48N10O10S4	788.2438	NA	PeJP	NA	NA
+PJ035375	CCCQFW 	C34H44N8O8S3	788.2445	NA	PeJP	NA	NA
+PJ035376	GSCNDMY 	C30H44N8O13S2	788.247	NA	PeJP	NA	NA
+PJ035377	DDDDFY 	C34H40N6O16	788.2501	NA	PeJP	NA	NA
+PJ035378	GSSSSCMM 	C27H48N8O13S3	788.2503	NA	PeJP	NA	NA
+PJ035379	ACCCKMM 	C28H52N8O8S5	788.2512	NA	PeJP	NA	NA
+PJ035380	DDMMMF 	C32H48N6O11S3	788.2543	NA	PeJP	NA	NA
+PJ035381	CNDDHW 	C32H40N10O12S	788.2548	NA	PeJP	NA	NA
+PJ035382	SSNDDDH 	C28H40N10O17	788.2573	NA	PeJP	NA	NA
+PJ035383	SPCCNEH 	C29H44N10O12S2	788.2582	NA	PeJP	NA	NA
+PJ035384	CMMMHH 	C30H48N10O7S4	788.2591	NA	PeJP	NA	NA
+PJ035385	SCCQYW 	C34H44N8O10S2	788.2622	NA	PeJP	NA	NA
+C04377	5,10-Methylenetetrahydromethanopterin	C31H45N6O16P	788.263	NA	KEGG	NA	NA
+PJ035386	SSSCNEY 	C30H44N8O15S	788.2647	NA	PeJP	NA	NA
+PJ035387	CNQMMY 	C31H48N8O10S3	788.2656	NA	PeJP	NA	NA
+PJ035388	SSSSSTCM 	C27H48N8O15S2	788.2681	NA	PeJP	NA	NA
+PJ035389	PCDEYY 	C35H44N6O13S	788.2687	NA	PeJP	NA	NA
+PJ035390	SSCCKMM 	C28H52N8O10S4	788.2689	NA	PeJP	NA	NA
+PJ035391	TTCCCKM 	C28H52N8O10S4	788.269	NA	PeJP	NA	NA
+PJ035392	GCNNNMH 	C28H44N12O11S2	788.2694	NA	PeJP	NA	NA
+PJ035393	GGGGGGGCMH 	C28H44N12O11S2	788.2695	NA	PeJP	NA	NA
+PJ035394	SEEMMY 	C32H48N6O13S2	788.2721	NA	PeJP	NA	NA
+PJ035395	GSPCCHW 	C33H44N10O9S2	788.2734	NA	PeJP	NA	NA
+PJ035396	CDMHHF 	C33H44N10O9S2	788.2735	NA	PeJP	NA	NA
+PJ035397	GTCDQEH 	C29H44N10O14S	788.2759	NA	PeJP	NA	NA
+PJ035398	GSNDEMH 	C29H44N10O14S	788.276	NA	PeJP	NA	NA
+PJ035399	CCNMRY 	C30H48N10O9S3	788.2768	NA	PeJP	NA	NA
+MJ094448	Phomopsin A 	C36H45ClN6O12	788.278398	NA	MeJP	NA	NA
+PJ035400	GSSSCYW 	C34H44N8O12S	788.28	NA	PeJP	NA	NA
+PJ035401	CCCKFW 	C35H48N8O7S3	788.2808	NA	PeJP	NA	NA
+PJ035402	GSSSSSDY 	C30H44N8O17	788.2825	NA	PeJP	NA	NA
+PJ035403	GSSNMMY 	C31H48N8O12S2	788.2833	NA	PeJP	NA	NA
+PJ035404	GPPPTCCD 	C31H48N8O12S2	788.2834	NA	PeJP	NA	NA
+PJ035405	DDEHHH 	C31H40N12O13	788.2838	NA	PeJP	NA	NA
+PJ035406	GEEEYY 	C35H44N6O15	788.2865	NA	PeJP	NA	NA
+PJ035407	GSCDDHR 	C28H44N12O13S	788.2872	NA	PeJP	NA	NA
+PJ035408	PCEMFY 	C36H48N6O10S2	788.2874	NA	PeJP	NA	NA
+PJ035409	APCCCHR 	C29H48N12O8S3	788.2881	NA	PeJP	NA	NA
+MJ094449	3,3',4,4',5,5',9,9'-Octahydroxy-2,7'-cyclolignan, 3,3',5,5'-Tetra-Me ether, 9'-O-[4-hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C39H48O17	788.28915	NA	MeJP	NA	NA
+PJ035410	VDMMMY 	C33H52N6O10S3	788.2907	NA	PeJP	NA	NA
+PJ035411	SNDMHW 	C33H44N10O11S	788.2912	NA	PeJP	NA	NA
+PJ035412	GPDDDDR 	C29H44N10O16	788.2937	NA	PeJP	NA	NA
+PJ035413	GSTCCRY 	C30H48N10O11S2	788.2946	NA	PeJP	NA	NA
+PJ035414	GCNFYW 	C38H44N8O9S	788.2952	NA	PeJP	NA	NA
+PJ035415	PNDEEW 	C34H44N8O14	788.2977	NA	PeJP	NA	NA
+PJ035416	SCCKYW 	C35H48N8O9S2	788.2986	NA	PeJP	NA	NA
+PJ035417	SSSSQMY 	C31H48N8O14S	788.3011	NA	PeJP	NA	NA
+PJ035418	EEYYW 	C39H44N6O12	788.3017	NA	PeJP	NA	NA
+PJ035419	CNKMMY 	C32H52N8O9S3	788.302	NA	PeJP	NA	NA
+PJ035420	GSSSSNNH 	C28H44N12O15	788.3049	NA	PeJP	NA	NA
+PJ035421	GGGGGSSSSH 	C28H44N12O15	788.305	NA	PeJP	NA	NA
+PJ035422	SPEMYY 	C36H48N6O12S	788.3051	NA	PeJP	NA	NA
+PJ035423	CNEMHR 	C29H48N12O10S2	788.3058	NA	PeJP	NA	NA
+PJ035424	GTCHWW 	C37H44N10O8S	788.3065	NA	PeJP	NA	NA
+PJ035425	GSSSEHW 	C33H44N10O13	788.309	NA	PeJP	NA	NA
+PJ035426	VMMMMF 	C34H56N6O7S4	788.3094	NA	PeJP	NA	NA
+PJ035427	GQMMHW 	C34H48N10O8S2	788.3098	NA	PeJP	NA	NA
+PJ035428	SSSSCRY 	C30H48N10O13S	788.3123	NA	PeJP	NA	NA
+PJ035429	GGGGGPQEM 	C30H48N10O13S	788.3124	NA	PeJP	NA	NA
+PJ035430	GPDEWW 	C38H44N8O11	788.313	NA	PeJP	NA	NA
+PJ035431	APCCKMH 	C31H52N10O8S3	788.3132	NA	PeJP	NA	NA
+PJ035432	NNMHHH 	C31H44N14O9S	788.3137	NA	PeJP	NA	NA
+MJ094450	17-Hydroxydihydromyrsinol; 3,14-Bis(3-pyridinecarbonyl), 7-(2-methylpropanoyl), 5,15,17-tri-Ac 	C42H48N2O13	788.315639	NA	MeJP	NA	NA
+C08439	Phalloidin	C35H48N8O11S	788.3163	NA	KEGG	NA	NA
+PJ035433	GQQMYY 	C35H48N8O11S	788.3163	NA	PeJP	NA	NA
+MJ094451	Phalloidin 	C35H48N8O11S	788.316325	NA	MeJP	NA	NA
+PJ035434	GSPPDMW 	C35H48N8O11S	788.3164	NA	PeJP	NA	NA
+PJ035435	CCDHRR 	C28H48N14O9S2	788.3171	NA	PeJP	NA	NA
+PJ035436	GSSSSTTY 	C31H48N8O16	788.3188	NA	PeJP	NA	NA
+PJ035437	GPTQEEE 	C31H48N8O16	788.3189	NA	PeJP	NA	NA
+PJ035438	GSTCKMY 	C32H52N8O11S2	788.3197	NA	PeJP	NA	NA
+PJ035439	NNNNQW 	C32H44N12O12	788.3202	NA	PeJP	NA	NA
+PJ035440	PPCFYY 	C40H48N6O9S	788.3204	NA	PeJP	NA	NA
+PJ035441	GCMHRW 	C33H48N12O7S2	788.3211	NA	PeJP	NA	NA
+PJ035442	SVEEYY 	C36H48N6O14	788.3229	NA	PeJP	NA	NA
+PJ035443	GSSDMHR 	C29H48N12O12S	788.3236	NA	PeJP	NA	NA
+PJ035444	PCLMYY 	C37H52N6O9S2	788.3237	NA	PeJP	NA	NA
+PJ035445	VDMMFF 	C37H52N6O9S2	788.3238	NA	PeJP	NA	NA
+PJ035446	SSSHWW 	C37H44N10O10	788.3242	NA	PeJP	NA	NA
+3501	ACE inhibitor from as1-casein	AYFYPE	788.325	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ094452	6,7,15,16,24-Pentaacetoxy-22-carbomethoxy-21,22-epoxy-18-hydroxy-27,30-bisnor-3,4-seco-1,20(29)-friedeladien-3,4-olide 	C40H52O16	788.325535	NA	MeJP	NA	NA
+MJ094453	Correolide 	C40H52O16	788.325535	NA	MeJP	NA	NA
+MJ094454	Isoterracinolide A; 7-Deacyl, 7-propanoyl 	C40H52O16	788.325535	NA	MeJP	NA	NA
+PJ035447	TLMMMY 	C34H56N6O9S3	788.3271	NA	PeJP	NA	NA
+PJ035448	STQMHW 	C34H48N10O10S	788.3276	NA	PeJP	NA	NA
+PJ035449	PDWWW 	C42H44N8O8	788.3282	NA	PeJP	NA	NA
+PJ035450	GSPDEER 	C30H48N10O15	788.3301	NA	PeJP	NA	NA
+PJ035451	GPPCEMR 	C31H52N10O10S2	788.331	NA	PeJP	NA	NA
+PJ035452	GSSQHHH 	C31H44N14O11	788.3314	NA	PeJP	NA	NA
+PJ035453	GGGGGPNHH 	C31H44N14O11	788.3315	NA	PeJP	NA	NA
+PJ035454	PPTCWW 	C39H48N8O8S	788.3316	NA	PeJP	NA	NA
+PJ035455	PTQEEW 	C35H48N8O13	788.3341	NA	PeJP	NA	NA
+MJ094455	Naphthomycin J; Decarboxy 	C43H52N2O10S	788.334266	NA	MeJP	NA	NA
+PJ035456	PPQMMW 	C36H52N8O8S2	788.335	NA	PeJP	NA	NA
+PJ035457	PDHHHF 	C36H44N12O9	788.3355	NA	PeJP	NA	NA
+MJ094456	Ditercalinium(2+); Dichloride 	C46H50Cl2N6O2	788.33723	NA	MeJP	NA	NA
+PJ035458	SSSSKMY 	C32H52N8O13S	788.3375	NA	PeJP	NA	NA
+PJ035459	SPPYYY 	C40H48N6O11	788.3381	NA	PeJP	NA	NA
+PJ035460	STCHRW 	C33H48N12O9S	788.3388	NA	PeJP	NA	NA
+PJ035461	NHFWW 	C41H44N10O7	788.3395	NA	PeJP	NA	NA
+PJ035462	SSSSEHR 	C29H48N12O14	788.3413	NA	PeJP	NA	NA
+PJ035463	GGGGGAEER 	C29H48N12O14	788.3414	NA	PeJP	NA	NA
+PJ035464	ALEMYY 	C37H52N6O11S	788.3415	NA	PeJP	NA	NA
+PJ035465	SQMMHR 	C30H52N12O9S2	788.3422	NA	PeJP	NA	NA
+PJ035466	AMHHFF 	C38H48N10O7S	788.3429	NA	PeJP	NA	NA
+PJ035467	SPDERW 	C34H48N10O12	788.3453	NA	PeJP	NA	NA
+PJ035468	PTDDRW 	C34H48N10O12	788.3454	NA	PeJP	NA	NA
+PJ035469	PPCMRW 	C35H52N10O7S2	788.3462	NA	PeJP	NA	NA
+PJ035470	PQEEMR 	C31H52N10O12S	788.3487	NA	PeJP	NA	NA
+PJ035471	APTEWW 	C39H48N8O10	788.3494	NA	PeJP	NA	NA
+PJ035472	CQKHHH 	C32H48N14O8S	788.3501	NA	PeJP	NA	NA
+PJ035473	GTNNNNR 	C28H48N14O13	788.3525	NA	PeJP	NA	NA
+PJ035474	NNDDRR 	C28H48N14O13	788.3526	NA	PeJP	NA	NA
+PJ035475	PVQEMW 	C36H52N8O10S	788.3527	NA	PeJP	NA	NA
+PJ035476	GAPLDMW 	C36H52N8O10S	788.3528	NA	PeJP	NA	NA
+PJ035477	SCMHRR 	C29H52N14O8S2	788.3534	NA	PeJP	NA	NA
+PJ035478	GPTKEEE 	C32H52N8O15	788.3552	NA	PeJP	NA	NA
+PJ035479	ASPKEEE 	C32H52N8O15	788.3553	NA	PeJP	NA	NA
+MJ094457	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Me glycoside, 4,6-O-benzylidene, tetrabenzyl 	C48H52O10	788.356047	NA	MeJP	NA	NA
+PJ035480	GPPKEMM 	C33H56N8O10S2	788.3561	NA	PeJP	NA	NA
+PJ035481	GNQERW 	C33H48N12O11	788.3566	NA	PeJP	NA	NA
+PJ035482	PCLFFY 	C41H52N6O8S	788.3568	NA	PeJP	NA	NA
+PJ035483	TTLEYY 	C37H52N6O13	788.3593	NA	PeJP	NA	NA
+PJ035484	GSTTMHR 	C30H52N12O11S	788.3599	NA	PeJP	NA	NA
+PJ035485	PDDMRR 	C30H52N12O11S	788.36	NA	PeJP	NA	NA
+PJ035486	VVMMFY 	C38H56N6O8S2	788.3601	NA	PeJP	NA	NA
+PJ035487	AAQQWW 	C38H48N10O9	788.3606	NA	PeJP	NA	NA
+MJ094458	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], ?-D-glucopyranosyl ester 	C41H56O15	788.361921	NA	MeJP	NA	NA
+PJ035488	APEMRW 	C35H52N10O9S	788.364	NA	PeJP	NA	NA
+PJ035489	GPPFWW 	C43H48N8O7	788.3646	NA	PeJP	NA	NA
+PJ035490	VQEEER 	C31H52N10O14	788.3665	NA	PeJP	NA	NA
+PJ035491	ASPPMMR 	C32H56N10O9S2	788.3673	NA	PeJP	NA	NA
+PJ035492	GPPTMMR 	C32H56N10O9S2	788.3674	NA	PeJP	NA	NA
+PJ035493	PNEHHR 	C32H48N14O10	788.3678	NA	PeJP	NA	NA
+PJ035494	GPLMWW 	C40H52N8O7S	788.368	NA	PeJP	NA	NA
+MJ094459	N-Deacyltunicamycin; N4''-(10-Methyl-2-undecenoyl) 	C35H56N4O16	788.369131	NA	MeJP	NA	NA
+PJ035495	PTKEEW 	C36H52N8O12	788.3705	NA	PeJP	NA	NA
+PJ035496	GSPCNRR 	C29H52N14O10S	788.3712	NA	PeJP	NA	NA
+PJ035497	PPKMMW 	C37H56N8O7S2	788.3714	NA	PeJP	NA	NA
+PJ035498	NQRWW 	C37H48N12O8	788.3718	NA	PeJP	NA	NA
+PJ035499	GGGARWW 	C37H48N12O8	788.3719	NA	PeJP	NA	NA
+PJ035500	GPVKEEM 	C33H56N8O12S	788.3739	NA	PeJP	NA	NA
+PJ035501	APLYYY 	C41H52N6O10	788.3745	NA	PeJP	NA	NA
+PJ035502	AQMHFR 	C34H52N12O8S	788.3752	NA	PeJP	NA	NA
+PJ035503	AEEERR 	C30H52N12O13	788.3777	NA	PeJP	NA	NA
+PJ035504	SLLMYY 	C38H56N6O10S	788.3779	NA	PeJP	NA	NA
+PJ035505	SKMMHR 	C31H56N12O8S2	788.3786	NA	PeJP	NA	NA
+PJ035506	GLEERW 	C35H52N10O11	788.3817	NA	PeJP	NA	NA
+PJ035507	GGGGVKEW 	C35H52N10O11	788.3818	NA	PeJP	NA	NA
+MJ094460	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], ?-D-glucopyranosyl ester 	C38H60O17	788.38305	NA	MeJP	NA	NA
+MJ094461	Anatolioside B; 3''''-Ketone 	C38H60O17	788.38305	NA	MeJP	NA	NA
+PJ035508	GPHHRW 	C36H48N14O7	788.3831	NA	PeJP	NA	NA
+PJ035509	PKEEMR 	C32H56N10O11S	788.3851	NA	PeJP	NA	NA
+PJ035510	SPTLWW 	C40H52N8O9	788.3857	NA	PeJP	NA	NA
+PJ035511	GVLEWW 	C40H52N8O9	788.3858	NA	PeJP	NA	NA
+PJ035512	ACHFRR 	C33H52N14O7S	788.3865	NA	PeJP	NA	NA
+PJ035513	SNQERR 	C29H52N14O12	788.3889	NA	PeJP	NA	NA
+PJ035514	GGSQERR 	C29H52N14O12	788.389	NA	PeJP	NA	NA
+PJ035515	PVKEMW 	C37H56N8O9S	788.3891	NA	PeJP	NA	NA
+PJ035516	AALKEEE 	C33H56N8O14	788.3916	NA	PeJP	NA	NA
+PJ035517	SPPVKMM 	C34H60N8O9S2	788.3925	NA	PeJP	NA	NA
+PJ035518	GNKERW 	C34H52N12O10	788.393	NA	PeJP	NA	NA
+PJ035519	VVMFFF 	C42H56N6O7S	788.3932	NA	PeJP	NA	NA
+PJ035520	PTEMRR 	C31H56N12O10S	788.3963	NA	PeJP	NA	NA
+PJ035521	GGGSPKMR 	C31H56N12O10S	788.3964	NA	PeJP	NA	NA
+PJ035522	LERWW 	C39H52N10O8	788.397	NA	PeJP	NA	NA
+MJ094462	3,8,11,12,14,17-Hexahydroxypregn-5-en-20-one, 11-Benzoyl, 3-O-?-L-Diginpyranosyl-(1?4)-?-L-diginopyranoside 	C42H60O14	788.398306	NA	MeJP	NA	NA
+MJ094463	Cryptoporic acid G; 5'''?15-Lactone, dicarboxylic acid 	C42H60O14	788.398306	NA	MeJP	NA	NA
+PJ035523	SPLMRW 	C36H56N10O8S	788.4004	NA	PeJP	NA	NA
+PJ035524	VLWWW 	C44H52N8O6	788.401	NA	PeJP	NA	NA
+PJ035525	TTTTTKH 	C32H56N10O13	788.4028	NA	PeJP	NA	NA
+PJ035526	VKEEER 	C32H56N10O13	788.4029	NA	PeJP	NA	NA
+PJ035527	AAPLMMR 	C33H60N10O8S2	788.4037	NA	PeJP	NA	NA
+PJ035528	GSQRRW 	C33H52N14O9	788.4042	NA	PeJP	NA	NA
+PJ035529	VVKEEW 	C37H56N8O11	788.4069	NA	PeJP	NA	NA
+PJ035530	AQQMRR 	C30H56N14O9S	788.4076	NA	PeJP	NA	NA
+PJ035531	NKRWW 	C38H52N12O7	788.4082	NA	PeJP	NA	NA
+PJ035532	SPTLLQM 	C34H60N8O11S	788.4102	NA	PeJP	NA	NA
+PJ035533	APTLKEM 	C34H60N8O11S	788.4103	NA	PeJP	NA	NA
+PJ035534	ALLFYY 	C42H56N6O9	788.4109	NA	PeJP	NA	NA
+PJ035535	AKMHFR 	C35H56N12O7S	788.4116	NA	PeJP	NA	NA
+PJ035536	SLEERR 	C31H56N12O12	788.4141	NA	PeJP	NA	NA
+PJ035537	PVMMRR 	C32H60N12O7S2	788.415	NA	PeJP	NA	NA
+PJ035538	SPHHRR 	C32H52N16O8	788.4154	NA	PeJP	NA	NA
+PJ035539	SVLERW 	C36H56N10O10	788.4181	NA	PeJP	NA	NA
+PJ035540	GNMRRR 	C29H56N16O8S	788.4188	NA	PeJP	NA	NA
+MJ094464	Pregn-5-ene-3,16,20-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C39H64O16	788.419436	NA	MeJP	NA	NA
+PJ035541	LLQEMR 	C33H60N10O10S	788.4215	NA	PeJP	NA	NA
+PJ035542	ATLLWW 	C41H56N8O8	788.4221	NA	PeJP	NA	NA
+PJ035543	GGPLLFW 	C41H56N8O8	788.4222	NA	PeJP	NA	NA
+PJ035544	SNKERR 	C30H56N14O11	788.4253	NA	PeJP	NA	NA
+PJ035545	VLLQMW 	C38H60N8O8S	788.4255	NA	PeJP	NA	NA
+PJ035546	GTLLKEE 	C34H60N8O13	788.428	NA	PeJP	NA	NA
+PJ035547	GPLLKMM 	C35H64N8O8S2	788.4289	NA	PeJP	NA	NA
+PJ035548	GDKKRW 	C35H56N12O9	788.4294	NA	PeJP	NA	NA
+PJ035549	VVEMRR 	C32H60N12O9S	788.4327	NA	PeJP	NA	NA
+PJ035550	AAKKWW 	C40H56N10O7	788.4334	NA	PeJP	NA	NA
+PJ035551	SSQRRR 	C29H56N16O10	788.4366	NA	PeJP	NA	NA
+PJ035552	ALLMRW 	C37H60N10O7S	788.4368	NA	PeJP	NA	NA
+PJ035553	GTTLLER 	C33H60N10O12	788.4392	NA	PeJP	NA	NA
+PJ035554	QKKKEE 	C33H60N10O12	788.4393	NA	PeJP	NA	NA
+PJ035555	GSKRRW 	C34H56N14O8	788.4406	NA	PeJP	NA	NA
+PJ035556	TLLKEW 	C38H60N8O10	788.4433	NA	PeJP	NA	NA
+PJ035557	AQKMRR 	C31H60N14O8S	788.444	NA	PeJP	NA	NA
+PJ035558	GVLLKEM 	C35H64N8O10S	788.4466	NA	PeJP	NA	NA
+PJ035559	AVVLKEM 	C35H64N8O10S	788.4467	NA	PeJP	NA	NA
+MJ094465	Bacchalejin 1; 19,19'-Diacetoxy 	C47H64O10	788.449948	NA	MeJP	NA	NA
+PJ035560	TQKKER 	C32H60N12O11	788.4505	NA	PeJP	NA	NA
+PJ035561	ALHHRR 	C33H56N16O7	788.4518	NA	PeJP	NA	NA
+PJ035562	TTLLRW 	C37H60N10O9	788.4545	NA	PeJP	NA	NA
+PJ035563	ACKRRR 	C30H60N16O7S	788.4552	NA	PeJP	NA	NA
+MJ094466	Cholestane-3,4,6,8,15,24-hexol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?3)-?-L-arabinofuranoside], 15-Ac 	C40H68O15	788.455821	NA	MeJP	NA	NA
+MJ094467	Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] 	C40H68O15	788.455821	NA	MeJP	NA	NA
+MJ094468	Furostane-1,3,22,26-tetrol, 3,26-Di-O-?-D-glucopyranoside, 22-Me ether 	C40H68O15	788.455821	NA	MeJP	NA	NA
+MJ094469	Lankamycin; 15-ketone, 4A-de-Ac 	C40H68O15	788.455821	NA	MeJP	NA	NA
+MJ094470	Stigmast-22-ene-3,4,6,8,15,16,29-heptol, 29-O-[?-L-Arabinopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranoside] 	C40H68O15	788.455821	NA	MeJP	NA	NA
+PJ035564	LLKEMR 	C34H64N10O9S	788.4579	NA	PeJP	NA	NA
+PJ035565	PVLKFW 	C42H60N8O7	788.4585	NA	PeJP	NA	NA
+PJ035566	SDKKRR 	C31H60N14O10	788.4617	NA	PeJP	NA	NA
+PJ035567	VLLKMW 	C39H64N8O7S	788.4619	NA	PeJP	NA	NA
+PJ035568	SSLLLKE 	C35H64N8O12	788.4644	NA	PeJP	NA	NA
+PJ035569	ATKKRW 	C36H60N12O8	788.4657	NA	PeJP	NA	NA
+PJ035570	GGPKKFR 	C36H60N12O8	788.4658	NA	PeJP	NA	NA
+PJ035571	TLLMRR 	C33H64N12O8S	788.4691	NA	PeJP	NA	NA
+MJ094471	Okadaic acid; 7-Deoxy 	C44H68O12	788.471077	NA	MeJP	NA	NA
+PJ035572	SSKRRR 	C30H60N16O9	788.473	NA	PeJP	NA	NA
+PJ035573	SSTLLLR 	C34H64N10O11	788.4756	NA	PeJP	NA	NA
+PJ035574	VLKHHR 	C35H60N14O7	788.477	NA	PeJP	NA	NA
+PJ035575	GPVLLKY 	C39H64N8O9	788.4797	NA	PeJP	NA	NA
+PJ035576	AKKMRR 	C32H64N14O7S	788.4804	NA	PeJP	NA	NA
+PJ035577	ATLLLKM 	C36H68N8O9S	788.483	NA	PeJP	NA	NA
+PJ035578	TKKKER 	C33H64N12O10	788.4869	NA	PeJP	NA	NA
+PJ035579	SLKKKW 	C38H64N10O8	788.4909	NA	PeJP	NA	NA
+MJ094472	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-(4-O-methyl-?-D-mannopyranoside), D-arabinitol-1-yl ester 	C41H72O14	788.492207	NA	MeJP	NA	NA
+MJ094473	Stigmastane-3,4,6,8,15,29-hexol, 29-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C41H72O14	788.492207	NA	MeJP	NA	NA
+PJ035580	AALKKKM 	C35H68N10O8S	788.4943	NA	PeJP	NA	NA
+PJ035581	TTKKRR 	C32H64N14O9	788.4981	NA	PeJP	NA	NA
+PJ035582	TTTLLLK 	C36H68N8O11	788.5008	NA	PeJP	NA	NA
+PJ035583	VVLFRR 	C37H64N12O7	788.5021	NA	PeJP	NA	NA
+PJ035584	VKKKMR 	C34H68N12O7S	788.5055	NA	PeJP	NA	NA
+PJ035585	ATTLKKK 	C35H68N10O10	788.512	NA	PeJP	NA	NA
+PJ035586	GVLLLKF 	C40H68N8O8	788.516	NA	PeJP	NA	NA
+PJ035587	LLLKFR 	C39H68N10O7	788.5273	NA	PeJP	NA	NA
+MJ094474	44-Homooligomycin A; 12-Deoxy 	C46H76O10	788.543848	NA	MeJP	NA	NA
+EUR1083	SM(d18:1/18:1) [M-H+acetate]-	C41H81N2O6P	788.604326	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1083	SM(d18:1/18:1) [M-H+acetate]-	C41H81N2O6P	788.604326	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1083	SM(d18:1/18:1) [M-H+acetate]-	C41H81N2O6P	788.604326	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1083	SM(d18:1/18:1) [M-H+acetate]-	C41H81N2O6P	788.604326	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12091	SM(d18:0/22:0)	C45H93N2O6P	788.677124	NA	HMDB2010	NA	NA
+EUR1144	SM(d18:0/22:0) monoisotopic mass 	C45H93N2O6P	788.677126	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1144	SM(d18:0/22:0) monoisotopic mass 	C45H93N2O6P	788.677126	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1144	SM(d18:0/22:0) monoisotopic mass 	C45H93N2O6P	788.677126	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1144	SM(d18:0/22:0) monoisotopic mass 	C45H93N2O6P	788.677126	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07848	DG(24:1(15Z)/24:1(15Z)/0:0)	C51H96O5	788.725769	NA	HMDB2010	NA	NA
+MJ094475	1-Hexacosanol; Octacosanoyl 	C54H108O2	788.834932	NA	MeJP	NA	NA
+MJ094476	1-Triacontanol; Tetracosanoyl 	C54H108O2	788.834932	NA	MeJP	NA	NA
+MJ094477	Metrizamide 	C18H22I3N3O8	788.854094	NA	MeJP	NA	NA
+PJ035588	CCCCDDE 	C25H39N7O14S4	789.1438	NA	PeJP	NA	NA
+PJ035589	CCCCNNM 	C25H43N9O10S5	789.1737	NA	PeJP	NA	NA
+PJ035590	SCCCDEM 	C26H43N7O13S4	789.1802	NA	PeJP	NA	NA
+PJ035591	PCCCCMM 	C27H47N7O8S6	789.1811	NA	PeJP	NA	NA
+C16313	Delphinidin 3-glucoside 5-caffoyl-glucoside	C36H37O20	789.1878	NA	KEGG	NA	NA
+FL7AAGGL0022	Bisdemalonylsalviadelphin	C36H37O20	789.18781	128508-47-4	knapsack	NA	NA
+PJ035592	GSSCCCCQ 	C25H43N9O12S4	789.1914	NA	PeJP	NA	NA
+PJ035593	GCCDDDY 	C29H39N7O15S2	789.1946	NA	PeJP	NA	NA
+PJ035594	PCCCCDF 	C30H43N7O10S4	789.1955	NA	PeJP	NA	NA
+PJ035595	GCCDMMM 	C27H47N7O10S5	789.1988	NA	PeJP	NA	NA
+C08640	Delphinidin 3,3',5'-tri-O-glucoside	C33H41O22	789.2089	NA	KEGG	NA	NA
+C16314	Delphinidin 3,5,3'-triglucoside	C33H41O22	789.2089	NA	KEGG	NA	NA
+FL7AAGGL0011	Delphinidin 3-sophoroside-5-glucoside	C33H41O22	789.20894	36547-37-2	knapsack	NA	NA
+FL7AAGGL0014	Delphinidin 3,7,3'-triglucoside	C33H41O22	789.20894	64963-58-2	knapsack	NA	NA
+PJ035596	SSSSCCCN 	C25H43N9O14S3	789.2092	NA	PeJP	NA	NA
+PJ035597	CCCCCQK 	C26H47N9O9S5	789.2101	NA	PeJP	NA	NA
+PJ035598	SPCCCDY 	C30H43N7O12S3	789.2132	NA	PeJP	NA	NA
+PJ035599	SSCCEMM 	C27H47N7O12S4	789.2166	NA	PeJP	NA	NA
+MJ094478	Storniamide D 	C42H35N3O13	789.216988	NA	MeJP	NA	NA
+PJ035600	GCCCMHH 	C28H43N11O8S4	789.2179	NA	PeJP	NA	NA
+PJ035601	GCDDDEH 	C28H39N9O16S	789.2236	NA	PeJP	NA	NA
+PJ035602	GCCCNQY 	C29H43N9O11S3	789.2244	NA	PeJP	NA	NA
+PJ035603	GGGCCCQY 	C29H43N9O11S3	789.2245	NA	PeJP	NA	NA
+PJ035604	GSSCCCCK 	C26H47N9O11S4	789.2278	NA	PeJP	NA	NA
+PJ035605	CCCEFW 	C34H43N7O9S3	789.2285	NA	PeJP	NA	NA
+PJ035606	GSCDDMY 	C30H43N7O14S2	789.231	NA	PeJP	NA	NA
+PJ035607	APCCCMY 	C31H47N7O9S4	789.2318	NA	PeJP	NA	NA
+PJ035608	GSCMMMM 	C28H51N7O9S5	789.2352	NA	PeJP	NA	NA
+PJ035609	STCCCHH 	C28H43N11O10S3	789.2357	NA	PeJP	NA	NA
+PJ035610	CDDDHW 	C32H39N9O13S	789.2388	NA	PeJP	NA	NA
+PJ035611	SSDDDDH 	C28H39N9O18	789.2413	NA	PeJP	NA	NA
+PJ035612	SSCCNNY 	C29H43N9O13S2	789.2422	NA	PeJP	NA	NA
+PJ035613	PPCCCMH 	C30H47N9O8S4	789.2431	NA	PeJP	NA	NA
+PJ035614	SCCEYW 	C34H43N7O11S2	789.2462	NA	PeJP	NA	NA
+PJ035615	CCCCCKK 	C27H51N9O8S5	789.2465	NA	PeJP	NA	NA
+PJ035616	SSSCDEY 	C30H43N7O16S	789.2487	NA	PeJP	NA	NA
+PJ035617	CNEMMY 	C31H47N7O11S3	789.2496	NA	PeJP	NA	NA
+PJ035618	SSTCMMM 	C28H51N7O11S4	789.253	NA	PeJP	NA	NA
+PJ035619	GCNNDMH 	C28H43N11O12S2	789.2534	NA	PeJP	NA	NA
+PJ035620	GGGCNDMH 	C28H43N11O12S2	789.2535	NA	PeJP	NA	NA
+PJ035621	GSDDEMH 	C29H43N9O15S	789.26	NA	PeJP	NA	NA
+PJ035622	CCDMRY 	C30H47N9O10S3	789.2608	NA	PeJP	NA	NA
+PJ035623	GGGPPPCCC 	C30H47N9O10S3	789.2609	NA	PeJP	NA	NA
+PJ035624	CNDEFY 	C34H43N7O13S	789.264	NA	PeJP	NA	NA
+PJ035625	GCMMYW 	C35H47N7O8S3	789.2649	NA	PeJP	NA	NA
+PJ035626	GPDDEEE 	C30H43N7O18	789.2665	NA	PeJP	NA	NA
+PJ035627	ATTCCEY 	C31H47N7O13S2	789.2673	NA	PeJP	NA	NA
+PJ035628	GSSDMMY 	C31H47N7O13S2	789.2674	NA	PeJP	NA	NA
+PJ035629	CQMMMF 	C32H51N7O8S4	789.2682	NA	PeJP	NA	NA
+PJ035630	CCNQHW 	C32H43N11O9S2	789.2687	NA	PeJP	NA	NA
+MetaCyc04142	5-methyl-tetrahydromethanopterin [5-methyl-5,6,7,8-tetrahydromethanopterin;N5-methyl-5,6,7,8-tetrahydromethanopterin;5-methyl-H4MPT;methyl-H4MPT;5-methyl-THMPT;]	C31H46N6O16P1	789.270791	NA	metacyc	NA	NA
+PJ035631	SSCNNEH 	C28H43N11O14S	789.2712	NA	PeJP	NA	NA
+PJ035632	SDDMHW 	C33H43N9O12S	789.2752	NA	PeJP	NA	NA
+PJ035633	SSSDEEH 	C29H43N9O17	789.2777	NA	PeJP	NA	NA
+PJ035634	NEEMMH 	C30H47N9O12S2	789.2786	NA	PeJP	NA	NA
+PJ035635	GCDFYW 	C38H43N7O10S	789.2792	NA	PeJP	NA	NA
+PJ035636	CCMMFR 	C31H51N9O7S4	789.2795	NA	PeJP	NA	NA
+PJ035637	GPCCHHH 	C31H43N13O8S2	789.2799	NA	PeJP	NA	NA
+PJ035638	SNDEYY 	C34H43N7O15	789.2817	NA	PeJP	NA	NA
+PJ035639	PDDEEW 	C34H43N7O15	789.2818	NA	PeJP	NA	NA
+PJ035640	STCMYW 	C35H47N7O10S2	789.2826	NA	PeJP	NA	NA
+MJ094479	Perdeacylalatusamine; 1,2,6,8,9,14-Hexa-Ac 	C38H47NO17	789.284399	NA	MeJP	NA	NA
+MJ094480	Perdeacylchuchuhuanine; 1,2,6,8,9,14-Hexa-Ac 	C38H47NO17	789.284399	NA	MeJP	NA	NA
+MJ094481	Perdeacylchuchuhuanine; 8-Epimer, 1,2,6,8,9,14-hexa-Ac 	C38H47NO17	789.284399	NA	MeJP	NA	NA
+PJ035641	SSSSEMY 	C31H47N7O15S	789.2851	NA	PeJP	NA	NA
+PJ035642	SQMMMY 	C32H51N7O10S3	789.286	NA	PeJP	NA	NA
+PJ035643	GSSCHHY 	C32H43N11O11S	789.2864	NA	PeJP	NA	NA
+PJ035644	GSSCNHW 	C32H43N11O11S	789.2865	NA	PeJP	NA	NA
+PJ035645	GNNNDQE 	C28H43N11O16	789.2889	NA	PeJP	NA	NA
+PJ035646	GSSSSNDH 	C28H43N11O16	789.289	NA	PeJP	NA	NA
+PJ035647	CDEMHR 	C29H47N11O11S2	789.2898	NA	PeJP	NA	NA
+PJ035648	GSPNDDW 	C33H43N9O14	789.293	NA	PeJP	NA	NA
+PJ035649	APPCCNW 	C34H47N9O9S2	789.2938	NA	PeJP	NA	NA
+PJ035650	GEMMHW 	C34H47N9O9S2	789.2939	NA	PeJP	NA	NA
+PJ035651	ASTDEMH 	C30H47N9O14S	789.2963	NA	PeJP	NA	NA
+PJ035652	GSTEEMH 	C30H47N9O14S	789.2964	NA	PeJP	NA	NA
+PJ035653	GSDYYW 	C38H43N7O12	789.297	NA	PeJP	NA	NA
+PJ035654	SCMMRY 	C31H51N9O9S3	789.2972	NA	PeJP	NA	NA
+PJ035655	NDMHHH 	C31H43N13O10S	789.2977	NA	PeJP	NA	NA
+PJ035656	GCMFFW 	C39H47N7O7S2	789.2979	NA	PeJP	NA	NA
+PJ035657	SNNNNNN 	C27H43N13O15	789.3002	NA	PeJP	NA	NA
+PJ035658	GQEMYY 	C35H47N7O12S	789.3004	NA	PeJP	NA	NA
+PJ035659	GSCCQHR 	C28H47N13O10S2	789.3011	NA	PeJP	NA	NA
+PJ035660	GPTEEEE 	C31H47N7O17	789.3029	NA	PeJP	NA	NA
+PJ035661	GSTTMMY 	C32H51N7O12S2	789.3037	NA	PeJP	NA	NA
+PJ035662	GPPEEMM 	C32H51N7O12S2	789.3038	NA	PeJP	NA	NA
+PJ035663	NNNNEW 	C32H43N11O13	789.3042	NA	PeJP	NA	NA
+PJ035664	CKMMMF 	C33H55N7O7S4	789.3046	NA	PeJP	NA	NA
+PJ035665	CCNKHW 	C33H47N11O8S2	789.3051	NA	PeJP	NA	NA
+PJ035666	GPCNDER 	C29H47N11O13S	789.3076	NA	PeJP	NA	NA
+PJ035667	GDEHFW 	C37H43N9O11	789.3082	NA	PeJP	NA	NA
+PJ035668	MMHWW 	C38H47N9O6S2	789.3091	NA	PeJP	NA	NA
+PJ035669	STEMHW 	C34H47N9O11S	789.3116	NA	PeJP	NA	NA
+PJ035670	ACHHHW 	C35H43N13O7S	789.313	NA	PeJP	NA	NA
+PJ035671	SSTTEEH 	C30H47N9O16	789.3141	NA	PeJP	NA	NA
+PJ035672	DKEMMH 	C31H51N9O11S2	789.315	NA	PeJP	NA	NA
+PJ035673	GSSEHHH 	C31H43N13O12	789.3154	NA	PeJP	NA	NA
+PJ035674	GPNNDHH 	C31H43N13O12	789.3155	NA	PeJP	NA	NA
+PJ035675	QMYYW 	C39H47N7O9S	789.3156	NA	PeJP	NA	NA
+PJ035676	PTEEEW 	C35H47N7O14	789.3181	NA	PeJP	NA	NA
+PJ035677	SSSCNHR 	C28H47N13O12S	789.3188	NA	PeJP	NA	NA
+PJ035678	PPEMMW 	C36H51N7O9S2	789.319	NA	PeJP	NA	NA
+PJ035679	GNNNWW 	C36H43N11O10	789.3195	NA	PeJP	NA	NA
+MJ094482	Antibiotic YL 01641P-B2; 4-Me ether, 9-Ac 	C39H51NO16	789.320784	NA	MeJP	NA	NA
+PJ035680	SSTTTMY 	C32H51N7O14S	789.3215	NA	PeJP	NA	NA
+PJ035681	SKMMMY 	C33H55N7O9S3	789.3224	NA	PeJP	NA	NA
+PJ035682	PCNDRW 	C33H47N11O10S	789.3228	NA	PeJP	NA	NA
+PJ035683	GGPCDRW 	C33H47N11O10S	789.3229	NA	PeJP	NA	NA
+PJ035684	DHFWW 	C41H43N9O8	789.3235	NA	PeJP	NA	NA
+PJ035685	NNEEER 	C29H47N11O15	789.3253	NA	PeJP	NA	NA
+PJ035686	GGNEEER 	C29H47N11O15	789.3254	NA	PeJP	NA	NA
+PJ035687	SEMMHR 	C30H51N11O10S2	789.3262	NA	PeJP	NA	NA
+PJ035688	CRYYW 	C38H47N9O8S	789.3268	NA	PeJP	NA	NA
+PJ035689	GPNMWW 	C38H47N9O8S	789.3269	NA	PeJP	NA	NA
+PJ035690	AQQEEW 	C34H47N9O13	789.3294	NA	PeJP	NA	NA
+PJ035691	SVMMHW 	C35H51N9O8S2	789.3302	NA	PeJP	NA	NA
+PJ035692	SSHHHW 	C35H43N13O9	789.3307	NA	PeJP	NA	NA
+PJ035693	PEEEMR 	C31H51N9O13S	789.3327	NA	PeJP	NA	NA
+PJ035694	GGGPDKEM 	C31H51N9O13S	789.3328	NA	PeJP	NA	NA
+MJ094483	Amonabactin T 789 	C39H47N7O11	789.333355	NA	MeJP	NA	NA
+PJ035695	GTTYYW 	C39H47N7O11	789.3334	NA	PeJP	NA	NA
+PJ035696	LQMMMH 	C32H55N9O8S3	789.3336	NA	PeJP	NA	NA
+PJ035697	CNNHFR 	C32H47N13O9S	789.3341	NA	PeJP	NA	NA
+MJ094484	Taxol?; N-Debenzoyl, N-tigloyl, 10-de-Ac 	C43H51NO13	789.33604	NA	MeJP	NA	NA
+PJ035698	NDDDRR 	C28H47N13O14	789.3366	NA	PeJP	NA	NA
+PJ035699	ADKMYY 	C36H51N7O11S	789.3367	NA	PeJP	NA	NA
+PJ035700	PVEEMW 	C36H51N7O11S	789.3368	NA	PeJP	NA	NA
+PJ035701	GSCCKHR 	C29H51N13O9S2	789.3375	NA	PeJP	NA	NA
+PJ035702	AALEEEE 	C32H51N7O16	789.3393	NA	PeJP	NA	NA
+PJ035703	SPPVEMM 	C33H55N7O11S2	789.3401	NA	PeJP	NA	NA
+PJ035704	GNEERW 	C33H47N11O12	789.3406	NA	PeJP	NA	NA
+PJ035705	PCMHFR 	C34H51N11O7S2	789.3415	NA	PeJP	NA	NA
+PJ035706	GSPNEMR 	C30H51N11O12S	789.344	NA	PeJP	NA	NA
+PJ035707	AAQEWW 	C38H47N9O10	789.3446	NA	PeJP	NA	NA
+PJ035708	CLMMHR 	C31H55N11O7S3	789.3448	NA	PeJP	NA	NA
+PJ035709	TCHHHR 	C31H47N15O8S	789.3453	NA	PeJP	NA	NA
+PJ035710	PNDKMW 	C35H51N9O10S	789.348	NA	PeJP	NA	NA
+PJ035711	QFFYW 	C43H47N7O8	789.3486	NA	PeJP	NA	NA
+PJ035712	VEEEER 	C31H51N9O15	789.3505	NA	PeJP	NA	NA
+PJ035713	GTTLMMH 	C32H55N9O10S2	789.3514	NA	PeJP	NA	NA
+PJ035714	SNNNRW 	C32H47N13O11	789.3518	NA	PeJP	NA	NA
+PJ035715	GGGGGGSRW 	C32H47N13O11	789.3519	NA	PeJP	NA	NA
+PJ035716	KMYYW 	C40H51N7O8S	789.352	NA	PeJP	NA	NA
+3038	insulin secretion inhibitor	IEYNVEHAVDYVE	789.3524	MH2+	Inhouse_peptide	NA	peptide
+PJ035717	VVEEEW 	C36H51N7O13	789.3545	NA	PeJP	NA	NA
+PJ035718	GSPCDRR 	C29H51N13O11S	789.3552	NA	PeJP	NA	NA
+PJ035719	AKMMFY 	C37H55N7O8S2	789.3554	NA	PeJP	NA	NA
+PJ035720	NERWW 	C37H47N11O9	789.3558	NA	PeJP	NA	NA
+PJ035721	GGERWW 	C37H47N11O9	789.3559	NA	PeJP	NA	NA
+PJ035722	APTLEEM 	C33H55N7O13S	789.3579	NA	PeJP	NA	NA
+PJ035723	APPLMMM 	C34H59N7O8S3	789.3588	NA	PeJP	NA	NA
+PJ035724	SPNMRW 	C34H51N11O9S	789.3592	NA	PeJP	NA	NA
+PJ035725	VNWWW 	C42H47N9O7	789.3599	NA	PeJP	NA	NA
+PJ035726	NDKEER 	C30H51N11O14	789.3617	NA	PeJP	NA	NA
+PJ035727	GGGGGDDKK 	C30H51N11O14	789.3618	NA	PeJP	NA	NA
+PJ035728	PQQMMR 	C31H55N11O9S2	789.3626	NA	PeJP	NA	NA
+PJ035729	APCKWW 	C39H51N9O7S	789.3632	NA	PeJP	NA	NA
+PJ035730	GLMHFW 	C39H51N9O7S	789.3633	NA	PeJP	NA	NA
+PJ035731	AQKEEW 	C35H51N9O12	789.3657	NA	PeJP	NA	NA
+PJ035732	GAAKEEW 	C35H51N9O12	789.3658	NA	PeJP	NA	NA
+PJ035733	CNNQRR 	C28H51N15O10S	789.3664	NA	PeJP	NA	NA
+PJ035734	GGGGCQRR 	C28H51N15O10S	789.3665	NA	PeJP	NA	NA
+PJ035735	PKMMHF 	C36H55N9O7S2	789.3666	NA	PeJP	NA	NA
+PJ035736	VNHHHF 	C36H47N13O8	789.3671	NA	PeJP	NA	NA
+PJ035737	STTTLMH 	C32H55N9O12S	789.3691	NA	PeJP	NA	NA
+PJ035738	PPVEYW 	C40H51N7O10	789.3698	NA	PeJP	NA	NA
+PJ035739	LKMMMH 	C33H59N9O7S3	789.37	NA	PeJP	NA	NA
+PJ035740	TKMHHH 	C33H51N13O8S	789.3705	NA	PeJP	NA	NA
+PJ035741	GRWWW 	C41H47N11O6	789.3711	NA	PeJP	NA	NA
+PJ035742	GSSQQQR 	C29H51N13O13	789.3729	NA	PeJP	NA	NA
+PJ035743	SNEERR 	C29H51N13O13	789.373	NA	PeJP	NA	NA
+PJ035744	SVKMYY 	C37H55N7O10S	789.3731	NA	PeJP	NA	NA
+PJ035745	PPVVCEF 	C37H55N7O10S	789.3732	NA	PeJP	NA	NA
+PJ035746	PCQMRR 	C30H55N13O8S2	789.3738	NA	PeJP	NA	NA
+PJ035747	GTLLEEE 	C33H55N7O15	789.3756	NA	PeJP	NA	NA
+PJ035748	GPLLEMM 	C34H59N7O10S2	789.3765	NA	PeJP	NA	NA
+PJ035749	GDKERW 	C34H51N11O11	789.377	NA	PeJP	NA	NA
+PJ035750	GHHHFR 	C35H47N15O7	789.3783	NA	PeJP	NA	NA
+PJ035751	VQQEMR 	C31H55N11O11S	789.3803	NA	PeJP	NA	NA
+PJ035752	LNQEMR 	C31H55N11O11S	789.3804	NA	PeJP	NA	NA
+PJ035753	AAKEWW 	C39H51N9O9	789.381	NA	PeJP	NA	NA
+PJ035754	GSSNNRR 	C28H51N15O12	789.3842	NA	PeJP	NA	NA
+PJ035755	PTQKMW 	C36H55N9O9S	789.3844	NA	PeJP	NA	NA
+PJ035756	KFFYW 	C44H51N7O7	789.385	NA	PeJP	NA	NA
+PJ035757	PCCRRR 	C29H55N15O7S2	789.3851	NA	PeJP	NA	NA
+PJ035758	QKKEEE 	C32H55N9O14	789.3869	NA	PeJP	NA	NA
+PJ035759	SPPCKKM 	C33H59N9O9S2	789.3877	NA	PeJP	NA	NA
+PJ035760	GPVQKMM 	C33H59N9O9S2	789.3878	NA	PeJP	NA	NA
+PJ035761	GSERRW 	C33H51N13O10	789.3882	NA	PeJP	NA	NA
+PJ035762	PPLMFW 	C41H55N7O7S	789.3884	NA	PeJP	NA	NA
+PJ035763	TLLEEW 	C37H55N7O12	789.3909	NA	PeJP	NA	NA
+PJ035764	AQEMRR 	C30H55N13O10S	789.3916	NA	PeJP	NA	NA
+PJ035765	PLLMMW 	C38H59N7O7S2	789.3918	NA	PeJP	NA	NA
+3262	b-casomorphin-7 (60-66)	YPFPGPI	789.392	ACE inhibitor	Inhouse_peptide	NA	peptide
+7665	ACE inhibitor from b-CN (60-66)	YPFPGPI	789.392	antioxidative	Inhouse_peptide	NA	peptide
+PJ035766	DKRWW 	C38H51N11O8	789.3922	NA	PeJP	NA	NA
+PJ035767	GGAPFRW 	C38H51N11O8	789.3923	NA	PeJP	NA	NA
+PJ035768	GVLLEEM 	C34H59N7O12S	789.3943	NA	PeJP	NA	NA
+PJ035769	GLQMRW 	C35H55N11O8S	789.3956	NA	PeJP	NA	NA
+PJ035770	TQKEER 	C31H55N11O13	789.3981	NA	PeJP	NA	NA
+8155	ACE inhibitor from b-CN (125-131)	LTLTDVE	789.3989	antibacterial	Inhouse_peptide	NA	peptide
+PJ035771	PQKMMR 	C32H59N11O8S2	789.399	NA	PeJP	NA	NA
+PJ035772	VNQHHR 	C32H51N15O9	789.3995	NA	PeJP	NA	NA
+PJ035773	AKKEEW 	C36H55N9O11	789.4021	NA	PeJP	NA	NA
+PJ035774	GGGGGPLLY 	C36H55N9O11	789.4022	NA	PeJP	NA	NA
+PJ035775	GDMRRR 	C29H55N15O9S	789.4028	NA	PeJP	NA	NA
+PJ035776	SRRWW 	C37H51N13O7	789.4035	NA	PeJP	NA	NA
+PJ035777	LLEEMR 	C33H59N9O11S	789.4055	NA	PeJP	NA	NA
+MJ094485	?-Casomorphin 	C41H55N7O9	789.406126	NA	MeJP	NA	NA
+MJ094486	Phakellistatin 4 	C41H55N7O9	789.406126	NA	MeJP	NA	NA
+PJ035778	PVLEFW 	C41H55N7O9	789.4062	NA	PeJP	NA	NA
+PJ035779	AAMRRW 	C34H55N13O7S	789.4069	NA	PeJP	NA	NA
+PJ035780	TTQERR 	C30H55N13O12	789.4093	NA	PeJP	NA	NA
+PJ035781	SDKERR 	C30H55N13O12	789.4094	NA	PeJP	NA	NA
+PJ035782	VLLEMW 	C38H59N7O9S	789.4095	NA	PeJP	NA	NA
+PJ035783	PCKMRR 	C31H59N13O7S2	789.4102	NA	PeJP	NA	NA
+PJ035784	GQHHRR 	C31H51N17O8	789.4107	NA	PeJP	NA	NA
+PJ035785	SSLLLEE 	C34H59N7O14	789.412	NA	PeJP	NA	NA
+PJ035786	SPVLLMM 	C35H63N7O9S2	789.4129	NA	PeJP	NA	NA
+PJ035787	ATKERW 	C35H55N11O10	789.4134	NA	PeJP	NA	NA
+PJ035788	VQKEMR 	C32H59N11O10S	789.4167	NA	PeJP	NA	NA
+PJ035789	GGLKEMR 	C32H59N11O10S	789.4168	NA	PeJP	NA	NA
+PJ035790	GTLKWW 	C40H55N9O8	789.4174	NA	PeJP	NA	NA
+PJ035791	SSERRR 	C29H55N15O11	789.4206	NA	PeJP	NA	NA
+PJ035792	PTKKMW 	C37H59N9O8S	789.4208	NA	PeJP	NA	NA
+PJ035793	STTLLQQ 	C33H59N9O13	789.4232	NA	PeJP	NA	NA
+PJ035794	KKKEEE 	C33H59N9O13	789.4233	NA	PeJP	NA	NA
+PJ035795	GPVKKMM 	C34H63N9O8S2	789.4241	NA	PeJP	NA	NA
+PJ035796	ATTRRW 	C34H55N13O9	789.4246	NA	PeJP	NA	NA
+PJ035797	GPVLLEY 	C38H59N7O11	789.4273	NA	PeJP	NA	NA
+PJ035798	AKEMRR 	C31H59N13O9S	789.428	NA	PeJP	NA	NA
+PJ035799	GPKFRW 	C39H55N11O7	789.4286	NA	PeJP	NA	NA
+PJ035800	ATLLLEM 	C35H63N7O11S	789.4307	NA	PeJP	NA	NA
+PJ035801	GLKMRW 	C36H59N11O7S	789.432	NA	PeJP	NA	NA
+PJ035802	TKKEER 	C32H59N11O12	789.4345	NA	PeJP	NA	NA
+PJ035803	PKKMMR 	C33H63N11O7S2	789.4354	NA	PeJP	NA	NA
+PJ035804	PPQHRR 	C33H55N15O8	789.4358	NA	PeJP	NA	NA
+PJ035805	GAPPHRR 	C33H55N15O8	789.4359	NA	PeJP	NA	NA
+PJ035806	SLKKEW 	C37H59N9O10	789.4385	NA	PeJP	NA	NA
+PJ035807	ATMRRR 	C30H59N15O8S	789.4392	NA	PeJP	NA	NA
+PJ035808	AALKKEM 	C34H63N9O10S	789.4419	NA	PeJP	NA	NA
+PJ035809	PVLLYW 	C42H59N7O8	789.4425	NA	PeJP	NA	NA
+PJ035810	GPPLLFF 	C42H59N7O8	789.4426	NA	PeJP	NA	NA
+PJ035811	TTKERR 	C31H59N13O11	789.4457	NA	PeJP	NA	NA
+PJ035812	GPLLLMF 	C39H63N7O8S	789.4459	NA	PeJP	NA	NA
+PJ035813	GKHHRR 	C32H55N17O7	789.4471	NA	PeJP	NA	NA
+PJ035814	TTTLLLE 	C35H63N7O13	789.4484	NA	PeJP	NA	NA
+PJ035815	GLLLLMM 	C36H67N7O8S2	789.4493	NA	PeJP	NA	NA
+PJ035816	SNKKKW 	C36H59N11O9	789.4497	NA	PeJP	NA	NA
+PJ035817	STLKRW 	C36H59N11O9	789.4498	NA	PeJP	NA	NA
+PJ035818	VKKEMR 	C33H63N11O9S	789.4531	NA	PeJP	NA	NA
+PJ035819	VLKHFF 	C41H59N9O7	789.4538	NA	PeJP	NA	NA
+PJ035820	TTTRRR 	C30H59N15O10	789.457	NA	PeJP	NA	NA
+PJ035821	VVKKMW 	C38H63N9O7S	789.4572	NA	PeJP	NA	NA
+PJ035822	ATTLKKE 	C34H63N9O12	789.4596	NA	PeJP	NA	NA
+PJ035823	VVTTDKK 	C34H63N9O12	789.4597	NA	PeJP	NA	NA
+PJ035824	APKRRY 	C35H59N13O8	789.461	NA	PeJP	NA	NA
+PJ035825	APTLLLY 	C39H63N7O10	789.4637	NA	PeJP	NA	NA
+PJ035826	SLKMRR 	C32H63N13O8S	789.4644	NA	PeJP	NA	NA
+MJ094487	Antibiotic FR 900525 	C43H67NO12	789.466326	NA	MeJP	NA	NA
+MJ094488	Antibiotic FR 901429 	C43H67NO12	789.466326	NA	MeJP	NA	NA
+MJ094489	Fujimycin; 31-O-De-Me 	C43H67NO12	789.466326	NA	MeJP	NA	NA
+PJ035827	STLLLLM 	C36H67N7O10S	789.467	NA	PeJP	NA	NA
+PJ035828	SSSLLKR 	C33H63N11O11	789.4709	NA	PeJP	NA	NA
+PJ035829	GVFRRR 	C34H59N15O7	789.4722	NA	PeJP	NA	NA
+PJ035830	AAPLKKY 	C38H63N9O9	789.4749	NA	PeJP	NA	NA
+PJ035831	GTLLKKM 	C35H67N9O9S	789.4783	NA	PeJP	NA	NA
+PJ035832	VLLLFW 	C43H63N7O7	789.4789	NA	PeJP	NA	NA
+PJ035833	GSSKKKR 	C32H63N13O10	789.4821	NA	PeJP	NA	NA
+PJ035834	FRRRR 	C33H59N17O6	789.4835	NA	PeJP	NA	NA
+PJ035835	PVKKRY 	C37H63N11O8	789.4861	NA	PeJP	NA	NA
+MJ094490	Erythromycin; 2'-Propanoyl 	C40H71NO14	789.487455	NA	MeJP	NA	NA
+PJ035836	QKKKKM 	C34H67N11O8S	789.4895	NA	PeJP	NA	NA
+PJ035837	STTLLKK 	C35H67N9O11	789.496	NA	PeJP	NA	NA
+PJ035838	ALKFRR 	C36H63N13O7	789.4974	NA	PeJP	NA	NA
+MJ094491	Enterococcus faecalis Sex pheromone cCF10 	C40H67N7O9	789.500026	NA	MeJP	NA	NA
+MJ094492	Enterococcus faecalis Sex pheromone inhibitor iCF10 	C40H67N7O9	789.500026	NA	MeJP	NA	NA
+PJ035839	GVLLLLY 	C40H67N7O9	789.5001	NA	PeJP	NA	NA
+PJ035840	CKKKKR 	C33H67N13O7S	789.5007	NA	PeJP	NA	NA
+PJ035841	GTTKKKK 	C34H67N11O10	789.5073	NA	PeJP	NA	NA
+PJ035842	LLLLRY 	C39H67N9O8	789.5113	NA	PeJP	NA	NA
+PJ035843	VLKKFR 	C38H67N11O7	789.5225	NA	PeJP	NA	NA
+PJ035844	KKKKKM 	C35H71N11O7S	789.5259	NA	PeJP	NA	NA
+EUR1011	PC 38:7 [M-H-CH3]-	C46H78NO8P	789.530857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1011	PC 38:7 [M-H-CH3]-	C46H78NO8P	789.530857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1011	PC 38:7 [M-H-CH3]-	C46H78NO8P	789.530857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1011	PC 38:7 [M-H-CH3]-	C46H78NO8P	789.530857	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09045	PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09078	PE(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09109	PE(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09110	PE(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09141	PE(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09174	PE(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09302	PE(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09333	PE(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09334	PE(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09366	PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09367	PE(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09397	PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09398	PE(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09430	PE(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09431	PE(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09462	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09589	PE(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09590	PE(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09621	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09654	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09685	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+HMDB09686	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	C45H76NO8P	789.530884	NA	HMDB2010	NA	NA
+EUR938	PC 32:2 [M-H+acetate]-	C40H76NO8P	789.551957	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR938	PC 32:2 [M-H+acetate]-	C40H76NO8P	789.551957	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR938	PC 32:2 [M-H+acetate]-	C40H76NO8P	789.551957	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR938	PC 32:2 [M-H+acetate]-	C40H76NO8P	789.551957	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10163	PS(18:0/18:1(9Z))	C42H80NO10P	789.552002	NA	HMDB2010	NA	NA
+HMDB12389	PS(18:1(9Z)/18:0)	C42H80NO10P	789.552002	NA	HMDB2010	NA	NA
+HMDB08523	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))	C46H80NO7P	789.567261	NA	HMDB2010	NA	NA
+HMDB08524	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(9Z))	C46H80NO7P	789.567261	NA	HMDB2010	NA	NA
+HMDB08751	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)	C46H80NO7P	789.567261	NA	HMDB2010	NA	NA
+HMDB11229	PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H80NO7P	789.567261	NA	HMDB2010	NA	NA
+HMDB11288	PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H80NO7P	789.567261	NA	HMDB2010	NA	NA
+HMDB11321	PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H80NO7P	789.567261	NA	HMDB2010	NA	NA
+HMDB07886	PC(14:0/22:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+HMDB07977	PC(16:0/20:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+HMDB08036	PC(18:0/18:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+HMDB08265	PC(20:0/16:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+HMDB08525	PC(22:0/14:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+HMDB08914	PE(15:0/24:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+HMDB09714	PE(24:0/15:0)	C44H88NO8P	789.624756	NA	HMDB2010	NA	NA
+MJ094493	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-galactopyranoside 	C44H87NO10	789.632998	NA	MeJP	NA	NA
+MJ094494	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside 	C44H87NO10	789.632998	NA	MeJP	NA	NA
+MJ094495	Acanthacerebroside B 	C44H87NO10	789.632998	NA	MeJP	NA	NA
+MJ094496	Sulfobromophthalein 	C20H10Br4O10S2	789.644888	NA	MeJP	NA	NA
+C11363	Sulfobromophthalein	C20H10Br4O10S2	789.6449	NA	KEGG	NA	NA
+C06198	P1,P4-Bis(5'-uridyl) tetraphosphate	C18H26N4O23P4	789.9938	NA	KEGG	NA	NA
+MJ094497	P1,P4-Bis(5'-uridyl) tetraphosphate 	C18H26N4O23P4	789.993829	NA	MeJP	NA	NA
+MJ094498	Uridine 5'-(pentahydrogen tetraphosphate) P'''-5'-ester with uridine 	C18H26N4O23P4	789.993829	NA	MeJP	NA	NA
+HMDB06796	P1,P4-Bis(5'-uridyl) tetraphosphate	C18H26N4O23P4	789.993835	NA	HMDB2010	NA	NA
+HMDB06796	P1,P4-Bis(5'-uridyl) tetraphosphate	C18H26N4O23P4	789.99384	http://www.hmdb.ca/metabolites/HMDB06796	HMDB	NA	NA
+HMDB06796	P1,P4-Bis(5'-uridyl) tetraphosphate	C18H26N4O23P4	789.99384	HMDB06796	PFEM_hmdb_metabocards_official	NA	NA
+3865	vespa-like peptide from V, Orientalis	FLPLILGKLVKGLLG	790.0135	MH2+	Inhouse_peptide	NA	peptide
+PJ035845	GPCCCCCC 	C25H42N8O9S6	790.1399	NA	PeJP	NA	NA
+PJ035846	CCCCNDM 	C25H42N8O11S5	790.1577	NA	PeJP	NA	NA
+PJ035847	ACCCCCW 	C29H42N8O8S5	790.1729	NA	PeJP	NA	NA
+PJ035848	GSSCCCCE 	C25H42N8O13S4	790.1755	NA	PeJP	NA	NA
+PJ035849	SSCCCCW 	C29H42N8O10S4	790.1907	NA	PeJP	NA	NA
+PJ035850	SSSSCCCD 	C25H42N8O15S3	790.1932	NA	PeJP	NA	NA
+PJ035851	SCCCNMM 	C26H46N8O10S5	790.1941	NA	PeJP	NA	NA
+PJ035852	TCCCCCR 	C25H46N10O9S5	790.2053	NA	PeJP	NA	NA
+PJ035853	GCCCNEY 	C29H42N8O12S3	790.2085	NA	PeJP	NA	NA
+PJ035854	GSSTCCCM 	C26H46N8O12S4	790.2118	NA	PeJP	NA	NA
+PJ035855	PCCCNDH 	C28H42N10O11S3	790.2197	NA	PeJP	NA	NA
+PJ035856	CCCNYW 	C33H42N8O9S3	790.2237	NA	PeJP	NA	NA
+MJ094499	Antibiotic MA 144E1 	C44H38O14	790.226155	NA	MeJP	NA	NA
+MJ094500	Phleichrome; 14,21-Diepimer, 14,21-bis-O-(4-hydroxybenzoyl) 	C44H38O14	790.226155	NA	MeJP	NA	NA
+MJ094501	Phleichrome; 14,21-Diepimer, 21-O-(4-hydroxyphenoxycarbonyl), 14-benzoyl 	C44H38O14	790.226155	NA	MeJP	NA	NA
+PJ035857	SSCCNDY 	C29H42N8O14S2	790.2262	NA	PeJP	NA	NA
+PJ035858	GCCCQMF 	C30H46N8O9S4	790.2271	NA	PeJP	NA	NA
+PJ035859	SSSSSCCM 	C26H46N8O14S3	790.2296	NA	PeJP	NA	NA
+PJ035860	TCCCCKM 	C27H50N8O9S5	790.2305	NA	PeJP	NA	NA
+PJ035861	CDEMMY 	C31H46N6O12S3	790.2336	NA	PeJP	NA	NA
+PJ035862	GCNDDMH 	C28H42N10O13S2	790.2375	NA	PeJP	NA	NA
+PJ035863	GCCCCFR 	C29H46N10O8S4	790.2383	NA	PeJP	NA	NA
+MJ094502	7,8-Dihydromethanopterin 	C30H43N6O17P	790.24223	NA	MeJP	NA	NA
+PJ035864	GSCCQMY 	C30H46N8O11S3	790.2448	NA	PeJP	NA	NA
+PJ035865	GGGTCCMY 	C30H46N8O11S3	790.2449	NA	PeJP	NA	NA
+PJ035866	CDDEFY 	C34H42N6O14S	790.248	NA	PeJP	NA	NA
+PJ035867	SCCNNNH 	C27H42N12O12S2	790.2487	NA	PeJP	NA	NA
+PJ035868	CEMMMF 	C32H50N6O9S4	790.2522	NA	PeJP	NA	NA
+PJ035869	CCNEHW 	C32H42N10O10S2	790.2527	NA	PeJP	NA	NA
+PJ035870	SSCNDEH 	C28H42N10O15S	790.2552	NA	PeJP	NA	NA
+PJ035871	GSCCCRY 	C29H46N10O10S3	790.2561	NA	PeJP	NA	NA
+PJ035872	CNNDYY 	C33H42N8O13S	790.2592	NA	PeJP	NA	NA
+PJ035873	SPNDDDE 	C29H42N8O18	790.2617	NA	PeJP	NA	NA
+PJ035874	GGPTDDDD 	C29H42N8O18	790.2618	NA	PeJP	NA	NA
+PJ035875	SSSCNMY 	C30H46N8O13S2	790.2626	NA	PeJP	NA	NA
+PJ035876	GCCCKMF 	C31H50N8O8S4	790.2635	NA	PeJP	NA	NA
+PJ035877	SDDEYY 	C34H42N6O16	790.2657	NA	PeJP	NA	NA
+PJ035878	TDDDYY 	C34H42N6O16	790.2658	NA	PeJP	NA	NA
+PJ035879	PCDMYY 	C35H46N6O11S2	790.2666	NA	PeJP	NA	NA
+PJ035880	GCCHWW 	C36H42N10O7S2	790.268	NA	PeJP	NA	NA
+MJ094503	Fraxuhdoside 	C38H46O18	790.268414	NA	MeJP	NA	NA
+MJ094504	Uhdoside A; 2'-O-?-D-Glucopyranosyl 	C38H46O18	790.268414	NA	MeJP	NA	NA
+MJ094505	Uhdoside A; 3'-O-?-D-Glucopyranosyl 	C38H46O18	790.268414	NA	MeJP	NA	NA
+MJ094506	Uhdoside A; 6'''-O-?-D-Glucopyranoside 	C38H46O18	790.268414	NA	MeJP	NA	NA
+PJ035881	SEMMMY 	C32H50N6O11S3	790.27	NA	PeJP	NA	NA
+PJ035882	GSSCDHW 	C32H42N10O12S	790.2705	NA	PeJP	NA	NA
+PJ035883	GSSSSDDH 	C28H42N10O17	790.273	NA	PeJP	NA	NA
+PJ035884	GSNDMMH 	C29H46N10O12S2	790.2738	NA	PeJP	NA	NA
+PJ035885	GGGSDMMH 	C29H46N10O12S2	790.2739	NA	PeJP	NA	NA
+PJ035886	GSPDDDW 	C33H42N8O15	790.277	NA	PeJP	NA	NA
+PJ035887	GPPCCEW 	C34H46N8O10S2	790.2779	NA	PeJP	NA	NA
+C04488	5-Methyl-5,6,7,8-tetrahydromethanopterin	C31H47N6O16P	790.2786	NA	KEGG	NA	NA
+PJ035888	GSSSSTCY 	C30H46N8O15S	790.2804	NA	PeJP	NA	NA
+PJ035889	GSCCKMY 	C31H50N8O10S3	790.2812	NA	PeJP	NA	NA
+PJ035890	DDMHHH 	C31H42N12O11S	790.2817	NA	PeJP	NA	NA
+PJ035891	SNNNNND 	C27H42N12O16	790.2842	NA	PeJP	NA	NA
+PJ035892	GEEMYY 	C35H46N6O13S	790.2844	NA	PeJP	NA	NA
+PJ035893	GSCCEHR 	C28H46N12O11S2	790.2851	NA	PeJP	NA	NA
+PJ035894	PCMMFY 	C36H50N6O8S3	790.2853	NA	PeJP	NA	NA
+PJ035895	NNNDEW 	C32H42N10O14	790.2882	NA	PeJP	NA	NA
+PJ035896	CLMMMY 	C33H54N6O8S4	790.2886	NA	PeJP	NA	NA
+PJ035897	SCQMHW 	C33H46N10O9S2	790.2891	NA	PeJP	NA	NA
+MJ094507	Laciniatoside V; 1'-O-?-D-Glucopyranoside, 7-Ac 	C35H50O20	790.289544	NA	MeJP	NA	NA
+MJ094508	Cephabacin F; Cephabacin F4, N27-L-Seryl 	C29H46N10O14S	790.291566	NA	MeJP	NA	NA
+PJ035898	GPCDDER 	C29H46N10O14S	790.2916	NA	PeJP	NA	NA
+PJ035899	NQMMMH 	C30H50N10O9S3	790.2925	NA	PeJP	NA	NA
+PJ035900	GSCNHHH 	C30H42N14O10S	790.2929	NA	PeJP	NA	NA
+PJ035901	GGGSCHHH 	C30H42N14O10S	790.293	NA	PeJP	NA	NA
+PJ035902	PPCCWW 	C38H46N8O7S2	790.2931	NA	PeJP	NA	NA
+MJ094509	Cyclomyrsinol; 8,14-Bis(3-pyridinecarbonyl), 3-propanoyl, 5,10,15-tri-Ac 	C41H46N2O14	790.294904	NA	MeJP	NA	NA
+PJ035903	PNDEMW 	C34H46N8O12S	790.2956	NA	PeJP	NA	NA
+PJ035904	SSSSSSSY 	C30H46N8O17	790.2981	NA	PeJP	NA	NA
+PJ035905	SSTCCKY 	C31H50N8O12S2	790.299	NA	PeJP	NA	NA
+PJ035906	GPNDDHH 	C31H42N12O13	790.2995	NA	PeJP	NA	NA
+PJ035907	EMYYW 	C39H46N6O10S	790.2996	NA	PeJP	NA	NA
+PJ035908	SCCHRW 	C32H46N12O8S2	790.3003	NA	PeJP	NA	NA
+PJ035909	STEEYY 	C35H46N6O15	790.3021	NA	PeJP	NA	NA
+PJ035910	SSSCDHR 	C28H46N12O13S	790.3028	NA	PeJP	NA	NA
+PJ035911	GGGGGGGNQM 	C28H46N12O13S	790.3029	NA	PeJP	NA	NA
+PJ035912	SPMMYY 	C36H50N6O10S2	790.303	NA	PeJP	NA	NA
+PJ035913	GNNDWW 	C36H42N10O11	790.3035	NA	PeJP	NA	NA
+PJ035914	CNMMHR 	C29H50N12O8S3	790.3037	NA	PeJP	NA	NA
+MJ094510	3,3',4,4',5,5',9,9'-Octahydroxylignan, 3,3',5,5'-Tetra-Me ether, 9-O-[4-hydroxy-3,5-dimethoxycinnamoyl(?6)-?-D-glucopyranoside] 	C39H50O17	790.3048	NA	MeJP	NA	NA
+PJ035915	GSSSMHW 	C33H46N10O11S	790.3068	NA	PeJP	NA	NA
+PJ035916	PCDDRW 	C33H46N10O11S	790.3069	NA	PeJP	NA	NA
+PJ035917	ATNNNEE 	C29H46N10O16	790.3093	NA	PeJP	NA	NA
+PJ035918	NDEEER 	C29H46N10O16	790.3094	NA	PeJP	NA	NA
+PJ035919	SPPCCER 	C30H50N10O11S2	790.3102	NA	PeJP	NA	NA
+PJ035920	GGGGGGAPMM 	C30H50N10O11S2	790.3103	NA	PeJP	NA	NA
+PJ035921	GPDMWW 	C38H46N8O9S	790.3109	NA	PeJP	NA	NA
+PJ035922	AQEEEW 	C34H46N8O14	790.3134	NA	PeJP	NA	NA
+PJ035923	GCNNNNR 	C27H46N14O12S	790.3141	NA	PeJP	NA	NA
+PJ035924	GPPTCMW 	C35H50N8O9S2	790.3142	NA	PeJP	NA	NA
+PJ035925	GACCKFY 	C35H50N8O9S2	790.3143	NA	PeJP	NA	NA
+PJ035926	APTDQEM 	C31H50N8O14S	790.3167	NA	PeJP	NA	NA
+PJ035927	GPTQEEM 	C31H50N8O14S	790.3168	NA	PeJP	NA	NA
+PJ035928	GPEYYY 	C39H46N6O12	790.3174	NA	PeJP	NA	NA
+PJ035929	LEMMMH 	C32H54N8O9S3	790.3176	NA	PeJP	NA	NA
+PJ035930	CNDHFR 	C32H46N12O10S	790.3181	NA	PeJP	NA	NA
+PJ035931	PCMFFF 	C40H50N6O7S2	790.3183	NA	PeJP	NA	NA
+PJ035932	DDDDRR 	C28H46N12O15	790.3206	NA	PeJP	NA	NA
+PJ035933	SVEMYY 	C36H50N6O12S	790.3208	NA	PeJP	NA	NA
+PJ035934	GSTCMHR 	C29H50N12O10S2	790.3215	NA	PeJP	NA	NA
+PJ035935	CLMMFF 	C37H54N6O7S3	790.3216	NA	PeJP	NA	NA
+PJ035936	GNMHFW 	C37H46N10O8S	790.3221	NA	PeJP	NA	NA
+PJ035937	GDEERW 	C33H46N10O13	790.3246	NA	PeJP	NA	NA
+PJ035938	SCKMHW 	C34H50N10O8S2	790.3255	NA	PeJP	NA	NA
+PJ035939	GSPDEMR 	C30H50N10O13S	790.328	NA	PeJP	NA	NA
+PJ035940	AAEEWW 	C38H46N8O11	790.3286	NA	PeJP	NA	NA
+PJ035941	NKMMMH 	C31H54N10O8S3	790.3288	NA	PeJP	NA	NA
+PJ035942	GPPCMMR 	C31H54N10O8S3	790.3289	NA	PeJP	NA	NA
+MJ094511	Patellamide E 	C39H50N8O6S2	790.329472	NA	MeJP	NA	NA
+PJ035943	PTQEMW 	C35H50N8O11S	790.332	NA	PeJP	NA	NA
+PJ035944	PYYYW 	C43H46N6O9	790.3326	NA	PeJP	NA	NA
+PJ035945	QKEEEE 	C31H50N8O16	790.3345	NA	PeJP	NA	NA
+PJ035946	GPVQEMM 	C32H54N8O11S2	790.3354	NA	PeJP	NA	NA
+PJ035947	SNNDRW 	C32H46N12O12	790.3358	NA	PeJP	NA	NA
+PJ035948	GGGGSDRW 	C32H46N12O12	790.3359	NA	PeJP	NA	NA
+PJ035949	APMFYY 	C40H50N6O9S	790.336	NA	PeJP	NA	NA
+PJ035950	VMMHHH 	C33H50N12O7S2	790.3367	NA	PeJP	NA	NA
+PJ035951	SHHHHH 	C33H42N16O8	790.3372	NA	PeJP	NA	NA
+PJ035952	SSSSMHR 	C29H50N12O12S	790.3392	NA	PeJP	NA	NA
+PJ035953	GGGGGGGGGKM 	C29H50N12O12S	790.3393	NA	PeJP	NA	NA
+PJ035954	ALMMYY 	C37H54N6O9S2	790.3394	NA	PeJP	NA	NA
+PJ035955	DERWW 	C37H46N10O10	790.3399	NA	PeJP	NA	NA
+3656	NA	VTDFYF	790.3409	ACE inhibitor	Inhouse_peptide	NA	peptide
+8240	Antioxidative peptide	LGFEYY	790.341	NA  ;SYN:(+)-S-Lysine; (S)-2,6-Diaminohexanoate; (S)-2,6-Diaminohexanoic acid; (S)-2,6-diamino-Hexanoate; (S)-2,6-diamino-Hexanoic acid; (S)-Lysine; (S)-a,e-Diaminocaproate; (S)-a,e-Diaminocaproic acid; 2,6-Diaminohexanoate; 2,6-Diaminohexanoic acid; 6-amino-Aminutrin; 6-amino-L-Norleucine; Aminutrin; L-(+)-Lysine; L-2,6-Diainohexanoate; L-2,6-Diainohexanoic acid; L-2,6-Diaminocaproate; L-2,6-Diaminocaproic acid; L-Lys; Lys; Lysine; Lysine acid; a-Lysine; h-Lys-oh; alpha-LysineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+MJ094512	Bonaspectin D; 4''-O-?-D-Glucopyranoside 	C40H54O16	790.341185	NA	MeJP	NA	NA
+PJ035956	SPDMRW 	C34H50N10O10S	790.3432	NA	PeJP	NA	NA
+PJ035957	GGGGVQMW 	C34H50N10O10S	790.3433	NA	PeJP	NA	NA
+PJ035958	VDWWW 	C42H46N8O8	790.3439	NA	PeJP	NA	NA
+PJ035959	TQEEER 	C30H50N10O15	790.3457	NA	PeJP	NA	NA
+PJ035960	GGGSQKEE 	C30H50N10O15	790.3458	NA	PeJP	NA	NA
+PJ035961	PQEMMR 	C31H54N10O10S2	790.3466	NA	PeJP	NA	NA
+PJ035962	NQQQHH 	C31H46N14O11	790.3471	NA	PeJP	NA	NA
+PJ035963	APTMWW 	C39H50N8O8S	790.3473	NA	PeJP	NA	NA
+PJ035964	AKEEEW 	C35H50N8O13	790.3498	NA	PeJP	NA	NA
+PJ035965	CNNERR 	C28H50N14O11S	790.3505	NA	PeJP	NA	NA
+PJ035966	PVQMMW 	C36H54N8O8S2	790.3506	NA	PeJP	NA	NA
+PJ035967	SPQHHW 	C36H46N12O9	790.3511	NA	PeJP	NA	NA
+PJ035968	GPTKEEM 	C32H54N8O13S	790.3531	NA	PeJP	NA	NA
+PJ035969	GGGVLEEM 	C32H54N8O13S	790.3532	NA	PeJP	NA	NA
+PJ035970	SPVYYY 	C40H50N6O11	790.3538	NA	PeJP	NA	NA
+PJ035971	GPPKMMM 	C33H58N8O8S3	790.354	NA	PeJP	NA	NA
+PJ035972	GNQMRW 	C33H50N12O9S	790.3545	NA	PeJP	NA	NA
+PJ035973	GHHFFF 	C41H46N10O7	790.3551	NA	PeJP	NA	NA
+PJ035974	SDEERR 	C29H50N12O14	790.357	NA	PeJP	NA	NA
+PJ035975	TTLMYY 	C37H54N6O11S	790.3571	NA	PeJP	NA	NA
+PJ035976	GPCCQKR 	C30H54N12O9S2	790.3578	NA	PeJP	NA	NA
+PJ035977	PCEMRR 	C30H54N12O9S2	790.3579	NA	PeJP	NA	NA
+PJ035978	NNNHHR 	C30H46N16O10	790.3583	NA	PeJP	NA	NA
+PJ035979	ACKHFW 	C38H50N10O7S	790.3585	NA	PeJP	NA	NA
+PJ035980	ATEERW 	C34H50N10O12	790.361	NA	PeJP	NA	NA
+PJ035981	APMMRW 	C35H54N10O7S2	790.3619	NA	PeJP	NA	NA
+PJ035982	VQEEMR 	C31H54N10O12S	790.3644	NA	PeJP	NA	NA
+PJ035983	GTLEWW 	C39H50N8O10	790.365	NA	PeJP	NA	NA
+PJ035984	GCNRRW 	C32H50N14O8S	790.3657	NA	PeJP	NA	NA
+PJ035985	GSSNDRR 	C28H50N14O13	790.3682	NA	PeJP	NA	NA
+PJ035986	PTKEMW 	C36H54N8O10S	790.3684	NA	PeJP	NA	NA
+PJ035987	LFYYW 	C44H50N6O8	790.369	NA	PeJP	NA	NA
+PJ035988	KKEEEE 	C32H54N8O15	790.3709	NA	PeJP	NA	NA
+MJ094513	Bishassinidin 	C48H54O10	790.371697	NA	MeJP	NA	NA
+PJ035989	GPVKEMM 	C33H58N8O10S2	790.3718	NA	PeJP	NA	NA
+PJ035990	SSQQRW 	C33H50N12O11	790.3722	NA	PeJP	NA	NA
+PJ035991	GGGGGAPRY 	C33H50N12O11	790.3723	NA	PeJP	NA	NA
+PJ035992	ALMFFY 	C41H54N6O8S	790.3724	NA	PeJP	NA	NA
+PJ035993	AEEMRR 	C30H54N12O11S	790.3756	NA	PeJP	NA	NA
+PJ035994	SSKHFW 	C38H50N10O9	790.3762	NA	PeJP	NA	NA
+PJ035995	GSQKWW 	C38H50N10O9	790.3763	NA	PeJP	NA	NA
+MJ094514	15,20-Dihydroxypregn-4-en-3-one, 20-O-[?-L-Rhamnopyranosyl-(1?4)-4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside] 	C41H58O15	790.377571	NA	MeJP	NA	NA
+PJ035996	GLEMRW 	C35H54N10O9S	790.3796	NA	PeJP	NA	NA
+PJ035997	TLWWW 	C43H50N8O7	790.3803	NA	PeJP	NA	NA
+PJ035998	TKEEER 	C31H54N10O14	790.3821	NA	PeJP	NA	NA
+PJ035999	PKEMMR 	C32H58N10O9S2	790.383	NA	PeJP	NA	NA
+PJ036000	VNEHHR 	C32H50N14O10	790.3835	NA	PeJP	NA	NA
+PJ036001	GVLMWW 	C40H54N8O7S	790.3837	NA	PeJP	NA	NA
+MJ094515	N-Deacyltunicamycin; 5,6-Dihydro, N4''-(10-methyl-2-undecenoyl) 	C35H58N4O16	790.384781	NA	MeJP	NA	NA
+PJ036002	SLKEEW 	C36H54N8O12	790.3861	NA	PeJP	NA	NA
+PJ036003	VTKEEW 	C36H54N8O12	790.3862	NA	PeJP	NA	NA
+PJ036004	SNQMRR 	C29H54N14O10S	790.3868	NA	PeJP	NA	NA
+PJ036005	GGGGTMRR 	C29H54N14O10S	790.3869	NA	PeJP	NA	NA
+PJ036006	PVKMMW 	C37H58N8O7S2	790.387	NA	PeJP	NA	NA
+PJ036007	SPKHHW 	C37H50N12O8	790.3875	NA	PeJP	NA	NA
+PJ036008	AALKEEM 	C33H58N8O12S	790.3895	NA	PeJP	NA	NA
+PJ036009	GLLYYY 	C41H54N6O10	790.3902	NA	PeJP	NA	NA
+PJ036010	GNKMRW 	C34H54N12O8S	790.3909	NA	PeJP	NA	NA
+PJ036011	PFRWW 	C42H50N10O6	790.3915	NA	PeJP	NA	NA
+PJ036012	GTTTQQR 	C30H54N12O13	790.3933	NA	PeJP	NA	NA
+PJ036013	TTEERR 	C30H54N12O13	790.3934	NA	PeJP	NA	NA
+PJ036014	PTMMRR 	C31H58N12O8S2	790.3942	NA	PeJP	NA	NA
+PJ036015	GEHHRR 	C31H50N16O9	790.3947	NA	PeJP	NA	NA
+PJ036016	LMRWW 	C39H54N10O6S	790.3949	NA	PeJP	NA	NA
+PJ036017	STLERW 	C35H54N10O11	790.3974	NA	PeJP	NA	NA
+PJ036018	SCNRRR 	C28H54N16O9S	790.3981	NA	PeJP	NA	NA
+MJ094516	Anatolioside B 	C38H62O17	790.3987	NA	MeJP	NA	NA
+PJ036019	GVHHRW 	C36H50N14O7	790.3987	NA	PeJP	NA	NA
+PJ036020	SSPTLMR 	C32H58N10O11S	790.4007	NA	PeJP	NA	NA
+PJ036021	VKEEMR 	C32H58N10O11S	790.4008	NA	PeJP	NA	NA
+MJ094517	Nostocyclopeptide A2 	C40H54N8O9	790.401375	NA	MeJP	NA	NA
+C15724	Nostocyclopeptide A2	C40H54N8O9	790.4014	NA	KEGG	NA	NA
+PJ036022	SSLLWW 	C40H54N8O9	790.4014	NA	PeJP	NA	NA
+MJ094518	Disorazole A1; 9,10-Diol, O10-Me 	C44H58N2O11	790.40406	NA	MeJP	NA	NA
+PJ036023	GSSTQRR 	C29H54N14O12	790.4046	NA	PeJP	NA	NA
+PJ036024	VVKEMW 	C37H58N8O9S	790.4048	NA	PeJP	NA	NA
+PJ036025	ALFFFF 	C45H54N6O7	790.4054	NA	PeJP	NA	NA
+PJ036026	ATTLKEE 	C33H58N8O14	790.4073	NA	PeJP	NA	NA
+PJ036027	APTLKMM 	C34H62N8O9S2	790.4081	NA	PeJP	NA	NA
+PJ036028	SPVVKMM 	C34H62N8O9S2	790.4082	NA	PeJP	NA	NA
+PJ036029	SSQKRW 	C34H54N12O10	790.4086	NA	PeJP	NA	NA
+PJ036030	HHRRW 	C35H50N16O6	790.41	NA	PeJP	NA	NA
+PJ036031	SLEMRR 	C31H58N12O10S	790.412	NA	PeJP	NA	NA
+PJ036032	GSKKWW 	C39H54N10O8	790.4126	NA	PeJP	NA	NA
+PJ036033	GPPVVHW 	C39H54N10O8	790.4127	NA	PeJP	NA	NA
+MJ094519	3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1??)-?-L-rhamnopyranoside] 	C42H62O14	790.413956	NA	MeJP	NA	NA
+MJ094520	Bryostatin 10; 19-Deoxy, 19,20-didehydro 	C42H62O14	790.413956	NA	MeJP	NA	NA
+PJ036034	SVLMRW 	C36H58N10O8S	790.416	NA	PeJP	NA	NA
+PJ036035	SSSLLER 	C32H58N10O13	790.4185	NA	PeJP	NA	NA
+PJ036036	LLQMMR 	C33H62N10O8S2	790.4194	NA	PeJP	NA	NA
+PJ036037	GQQFRR 	C33H54N14O9	790.4199	NA	PeJP	NA	NA
+PJ036038	GTTTLLW 	C37H58N8O11	790.4225	NA	PeJP	NA	NA
+PJ036039	GGGVLLEF 	C37H58N8O11	790.4226	NA	PeJP	NA	NA
+PJ036040	SNKMRR 	C30H58N14O9S	790.4232	NA	PeJP	NA	NA
+PJ036041	PPVHRW 	C38H54N12O7	790.4239	NA	PeJP	NA	NA
+PJ036042	GTLLKEM 	C34H62N8O11S	790.4259	NA	PeJP	NA	NA
+PJ036043	ACKKRW 	C35H58N12O7S	790.4273	NA	PeJP	NA	NA
+PJ036044	GSTDKKR 	C31H58N12O12	790.4297	NA	PeJP	NA	NA
+PJ036045	GSSKKER 	C31H58N12O12	790.4298	NA	PeJP	NA	NA
+PJ036046	VVMMRR 	C32H62N12O7S2	790.4306	NA	PeJP	NA	NA
+PJ036047	SVHHRR 	C32H54N16O8	790.4311	NA	PeJP	NA	NA
+2696	NA	IEGPTLRQWLAARA	790.432	MH2+	Inhouse_peptide	NA	peptide
+PJ036048	SDKKKW 	C36H58N10O10	790.4338	NA	PeJP	NA	NA
+PJ036049	GTTLLMR 	C33H62N10O10S	790.4371	NA	PeJP	NA	NA
+PJ036050	GAKKKEM 	C33H62N10O10S	790.4372	NA	PeJP	NA	NA
+PJ036051	PVVKYW 	C41H58N8O8	790.4378	NA	PeJP	NA	NA
+PJ036052	GSSTKRR 	C30H58N14O11	790.441	NA	PeJP	NA	NA
+PJ036053	TLLKMW 	C38H62N8O8S	790.4412	NA	PeJP	NA	NA
+PJ036054	STTLLKE 	C34H62N8O13	790.4437	NA	PeJP	NA	NA
+PJ036055	GVLLKMM 	C35H66N8O8S2	790.4445	NA	PeJP	NA	NA
+PJ036056	SSKKRW 	C35H58N12O9	790.445	NA	PeJP	NA	NA
+PJ036057	TQKKMR 	C32H62N12O9S	790.4484	NA	PeJP	NA	NA
+PJ036058	GLLFRW 	C40H58N10O7	790.449	NA	PeJP	NA	NA
+MJ094521	Antibiotic SS 33410 	C43H66O13	790.450342	NA	MeJP	NA	NA
+MJ094522	Antibiotic TAN 1323D 	C43H66O13	790.450342	NA	MeJP	NA	NA
+PJ036059	AKKKMW 	C37H62N10O7S	790.4524	NA	PeJP	NA	NA
+PJ036060	STTTLLR 	C33H62N10O12	790.4549	NA	PeJP	NA	NA
+MJ094523	Tangirine 	C49H62N2O7	790.455702	NA	MeJP	NA	NA
+PJ036061	LLKMMR 	C34H66N10O7S2	790.4558	NA	PeJP	NA	NA
+PJ036062	GQKFRR 	C34H58N14O8	790.4562	NA	PeJP	NA	NA
+PJ036063	GGAKFRR 	C34H58N14O8	790.4563	NA	PeJP	NA	NA
+PJ036064	GPTLLKY 	C38H62N8O10	790.4589	NA	PeJP	NA	NA
+PJ036065	TCKKRR 	C31H62N14O8S	790.4596	NA	PeJP	NA	NA
+PJ036066	SSLLLKM 	C35H66N8O10S	790.4623	NA	PeJP	NA	NA
+MJ094524	Sorangicin A; 22-Deoxy 	C47H66O10	790.465598	NA	MeJP	NA	NA
+PJ036067	GTTTKKR 	C32H62N12O11	790.4661	NA	PeJP	NA	NA
+PJ036068	TTKKKW 	C37H62N10O9	790.4702	NA	PeJP	NA	NA
+MJ094525	Ergostane-3,4,6,8,15,16,28-heptol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C40H70O15	790.471471	NA	MeJP	NA	NA
+MJ094526	Kujimycin A 	C40H70O15	790.471471	NA	MeJP	NA	NA
+MJ094527	Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C40H70O15	790.471471	NA	MeJP	NA	NA
+MJ094528	Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[?-L-Arabinopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranoside] 	C40H70O15	790.471471	NA	MeJP	NA	NA
+PJ036069	KKKKEM 	C34H66N10O9S	790.4735	NA	PeJP	NA	NA
+PJ036070	VVLKFW 	C42H62N8O7	790.4742	NA	PeJP	NA	NA
+PJ036071	ALLRRY 	C36H62N12O8	790.4814	NA	PeJP	NA	NA
+PJ036072	TKKKMR 	C33H66N12O8S	790.4848	NA	PeJP	NA	NA
+MJ094529	Antibiotic PC 766B; 19-Me ether 	C44H70O12	790.486727	NA	MeJP	NA	NA
+MJ094530	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(8E-hexadecenoate), 3-O-(6-Deoxy-6-O-sulfo-?-D-glucopyranoside) 	C41H74O12S	790.490098	NA	MeJP	NA	NA
+PJ036073	SSTLKKK 	C34H66N10O11	790.4913	NA	PeJP	NA	NA
+PJ036074	GKKFRR 	C35H62N14O7	790.4926	NA	PeJP	NA	NA
+PJ036075	AALLLKY 	C39H66N8O9	790.4953	NA	PeJP	NA	NA
+PJ036076	VLLKRY 	C38H66N10O8	790.5065	NA	PeJP	NA	NA
+C04145	all-trans-Nonaprenyl diphosphate	C45H76O7P2	790.5066	NA	KEGG	NA	NA
+C17438	di-trans,poly-cis-Nonaprenyl diphosphate	C45H76O7P2	790.5066	NA	KEGG	NA	NA
+MetaCyc04143	solanesyl pyrophosphate [solanesyl diphosphate;(hydroxy-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenoxy)phosphinoyl)oxyphosphonic acid;all-trans-nonaprenyl diphosphate;]	C45H76O7P2	790.506628	NA	metacyc	NA	NA
+MetaCyc04144	solanyl pyrophosphate []	C45H76O7P2	790.506628	NA	metacyc	NA	NA
+HMDB02367	Solanesyl-PP	C45H76O7P2	790.50665	http://www.hmdb.ca/metabolites/HMDB02367	HMDB	NA	NA
+HMDB02367	Solanesyl-PP	C45H76O7P2	790.50665	HMDB02367	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02367	Solanesyl-PP	C45H76O7P2	790.506653	NA	HMDB2010	NA	NA
+C11311	Oligomycin A	C45H74O11	790.5231	NA	KEGG	NA	NA
+MJ094531	Oligomycin A 	C45H74O11	790.523113	NA	MeJP	NA	NA
+PJ036077	LKKKKF 	C39H70N10O7	790.5429	NA	PeJP	NA	NA
+MJ094532	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-hexadecanoyl 	C50H78O7	790.574754	NA	MeJP	NA	NA
+MJ094533	?-Cryptoxanthin; Hexadecanoyl 	C56H86O2	790.662781	NA	MeJP	NA	NA
+MJ094534	Rubixanthin, O-Hexadecanoyl 	C56H86O2	790.662781	NA	MeJP	NA	NA
+HMDB07819	DG(24:0/24:1(15Z)/0:0)	C51H98O5	790.741455	NA	HMDB2010	NA	NA
+HMDB07847	DG(24:1(15Z)/24:0/0:0)	C51H98O5	790.741455	NA	HMDB2010	NA	NA
+MJ094535	20(29)-Lupen-3-ol, Pentacosanoyl 	C55H98O2	790.756682	NA	MeJP	NA	NA
+7068	coeliac toxic peptide	FPQQPQQPYPQQP	790.8695	MH2+	Inhouse_peptide	NA	peptide
+MJ094536	Iopromide 	C18H24I3N3O8	790.869745	NA	MeJP	NA	NA
+MJ094537	Ioxilan 	C18H24I3N3O8	790.869745	NA	MeJP	NA	NA
+PJ036078	CCCCDDM 	C25H41N7O12S5	791.1417	NA	PeJP	NA	NA
+PJ036079	GSCCCCCN 	C24H41N9O11S5	791.1529	NA	PeJP	NA	NA
+PJ036080	GGGSCCCCC 	C24H41N9O11S5	791.153	NA	PeJP	NA	NA
+PJ036081	SCCCDMM 	C26H45N7O11S5	791.1781	NA	PeJP	NA	NA
+PJ036082	GCCCDEY 	C29H41N7O13S3	791.1925	NA	PeJP	NA	NA
+PJ036083	ACCCMMM 	C27H49N7O8S6	791.1967	NA	PeJP	NA	NA
+PJ036084	SCCCCHH 	C27H41N11O9S4	791.1972	NA	PeJP	NA	NA
+PJ036085	PCCCDDH 	C28H41N9O12S3	791.2037	NA	PeJP	NA	NA
+PJ036086	CCCDYW 	C33H41N7O10S3	791.2077	NA	PeJP	NA	NA
+PJ036087	SSCCDDY 	C29H41N7O15S2	791.2102	NA	PeJP	NA	NA
+PJ036088	PTCCCCY 	C30H45N7O10S4	791.2111	NA	PeJP	NA	NA
+PJ036089	SSCCMMM 	C27H49N7O10S5	791.2145	NA	PeJP	NA	NA
+PJ036090	GCDDDMH 	C28H41N9O14S2	791.2215	NA	PeJP	NA	NA
+PJ036091	CCCMFW 	C34H45N7O7S4	791.2264	NA	PeJP	NA	NA
+PJ036092	GSCCEMY 	C30H45N7O12S3	791.2289	NA	PeJP	NA	NA
+PJ036093	SCCNNDH 	C27H41N11O13S2	791.2327	NA	PeJP	NA	NA
+PJ036094	CCDEHW 	C32H41N9O11S2	791.2367	NA	PeJP	NA	NA
+PJ036095	SSCDDEH 	C28H41N9O16S	791.2392	NA	PeJP	NA	NA
+PJ036096	GGGGPCDDD 	C28H41N9O16S	791.2393	NA	PeJP	NA	NA
+PJ036097	SPCCDMH 	C29H45N9O11S3	791.2401	NA	PeJP	NA	NA
+PJ036098	CNDDYY 	C33H41N7O14S	791.2432	NA	PeJP	NA	NA
+PJ036099	GGCDDYY 	C33H41N7O14S	791.2433	NA	PeJP	NA	NA
+PJ036100	SCCMYW 	C34H45N7O9S3	791.2441	NA	PeJP	NA	NA
+PJ036101	SPDDDDE 	C29H41N7O19	791.2458	NA	PeJP	NA	NA
+PJ036102	SSSCDMY 	C30H45N7O14S2	791.2466	NA	PeJP	NA	NA
+PJ036103	CNMMMY 	C31H49N7O9S4	791.2475	NA	PeJP	NA	NA
+PJ036104	GCCNQMH 	C28H45N11O10S3	791.2513	NA	PeJP	NA	NA
+PJ036105	GGGGACCMH 	C28H45N11O10S3	791.2514	NA	PeJP	NA	NA
+PJ036106	GNNDDEE 	C28H41N9O18	791.257	NA	PeJP	NA	NA
+PJ036107	GSDDMMH 	C29H45N9O13S2	791.2579	NA	PeJP	NA	NA
+PJ036108	APCCMMH 	C30H49N9O8S4	791.2587	NA	PeJP	NA	NA
+PJ036109	GSPCCYY 	C34H45N7O11S2	791.2619	NA	PeJP	NA	NA
+PJ036110	GCCCNHR 	C27H45N13O9S3	791.2626	NA	PeJP	NA	NA
+MJ094538	UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine 	C29H51N3O18P2	791.264284	NA	MeJP	NA	NA
+MetaCyc04145	UDP-3-O-(3-hydroxymyristoyl)glucosamine [UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;UDP-3-O-(3-hydroxytetradecanoyl)glucosamine;]	C29H51N3O18P2	791.264285	NA	metacyc	NA	NA
+C06022	UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine	C29H51N3O18P2	791.2643	NA	KEGG	NA	NA
+C06023	D-Glucosaminide	C12H24N2O10	791.2643	NA	KEGG	NA	NA
+PJ036111	GPDDEEM 	C30H45N7O16S	791.2644	NA	PeJP	NA	NA
+PJ036112	GSTCMMY 	C31H49N7O11S3	791.2652	NA	PeJP	NA	NA
+PJ036113	SNNNNDD 	C27H41N11O17	791.2682	NA	PeJP	NA	NA
+PJ036114	GGGGGGGGSDD 	C27H41N11O17	791.2683	NA	PeJP	NA	NA
+PJ036115	SSCNNMH 	C28H45N11O12S2	791.2691	NA	PeJP	NA	NA
+PJ036116	NNDDEW 	C32H41N9O15	791.2722	NA	PeJP	NA	NA
+PJ036117	GGNDDEW 	C32H41N9O15	791.2723	NA	PeJP	NA	NA
+PJ036118	SCEMHW 	C33H45N9O10S2	791.2731	NA	PeJP	NA	NA
+PJ036119	SSSDEMH 	C29H45N9O15S	791.2756	NA	PeJP	NA	NA
+PJ036120	NEMMMH 	C30H49N9O10S3	791.2765	NA	PeJP	NA	NA
+PJ036121	GSCDHHH 	C30H41N13O11S	791.277	NA	PeJP	NA	NA
+PJ036122	ACCFYW 	C38H45N7O8S2	791.2771	NA	PeJP	NA	NA
+MJ094539	Antibiotic SF 2575; 4'-O-Deangeloyl, 4'-O-(2-ethyl-2Z-butenoyl) 	C41H45NO15	791.278919	NA	MeJP	NA	NA
+PJ036123	PDDEMW 	C34H45N7O13S	791.2796	NA	PeJP	NA	NA
+PJ036124	CNMMFF 	C35H49N7O8S3	791.2805	NA	PeJP	NA	NA
+PJ036125	QEEEEE 	C30H45N7O18	791.2821	NA	PeJP	NA	NA
+PJ036126	GVDDEEE 	C30H45N7O18	791.2822	NA	PeJP	NA	NA
+PJ036127	SSSSMMY 	C31H49N7O13S2	791.283	NA	PeJP	NA	NA
+PJ036128	GPDDDHH 	C31H41N11O14	791.2835	NA	PeJP	NA	NA
+PJ036129	GSSSSCQH 	C28H45N11O14S	791.2868	NA	PeJP	NA	NA
+PJ036130	GGGSSSTCH 	C28H45N11O14S	791.2869	NA	PeJP	NA	NA
+PJ036131	GNDDWW 	C36H41N9O12	791.2875	NA	PeJP	NA	NA
+PJ036132	CDMMHR 	C29H49N11O9S3	791.2877	NA	PeJP	NA	NA
+PJ036133	PCCHFW 	C37H45N9O7S2	791.2884	NA	PeJP	NA	NA
+PJ036134	GSPCNEW 	C33H45N9O12S	791.2909	NA	PeJP	NA	NA
+PJ036135	GMMMHW 	C34H49N9O7S3	791.2917	NA	PeJP	NA	NA
+PJ036136	DDEEER 	C29H45N9O17	791.2934	NA	PeJP	NA	NA
+PJ036137	GSTEMMH 	C30H49N9O12S2	791.2942	NA	PeJP	NA	NA
+PJ036138	GGGPNEMM 	C30H49N9O12S2	791.2943	NA	PeJP	NA	NA
+PJ036139	GTCYYW 	C38H45N7O10S	791.2949	NA	PeJP	NA	NA
+PJ036140	CQMHHH 	C31H45N13O8S2	791.2956	NA	PeJP	NA	NA
+PJ036141	AEEEEW 	C34H45N7O15	791.2974	NA	PeJP	NA	NA
+PJ036142	GCNNNDR 	C27H45N13O13S	791.2981	NA	PeJP	NA	NA
+PJ036143	GQMMYY 	C35H49N7O10S2	791.2983	NA	PeJP	NA	NA
+PJ036144	GPTEEEM 	C31H49N7O15S	791.3008	NA	PeJP	NA	NA
+PJ036145	GPPEMMM 	C32H53N7O10S3	791.3016	NA	PeJP	NA	NA
+PJ036146	NNNNMW 	C32H45N11O11S	791.3021	NA	PeJP	NA	NA
+PJ036147	GSNDDER 	C28H45N11O16	791.3046	NA	PeJP	NA	NA
+PJ036148	GPCNDMR 	C29H49N11O11S2	791.3055	NA	PeJP	NA	NA
+8084	peptide derived from tuna cooking juice	SHDAHPE	791.3059	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ036149	SPCNWW 	C37H45N9O9S	791.3061	NA	PeJP	NA	NA
+PJ036150	CCHHHR 	C30H45N15O7S2	791.3068	NA	PeJP	NA	NA
+PJ036151	SNQEEW 	C33H45N9O14	791.3086	NA	PeJP	NA	NA
+PJ036152	GGGGGPDEF 	C33H45N9O14	791.3087	NA	PeJP	NA	NA
+PJ036153	STMMHW 	C34H49N9O9S2	791.3095	NA	PeJP	NA	NA
+PJ036154	SSTTEMH 	C30H49N9O14S	791.312	NA	PeJP	NA	NA
+PJ036155	SSSYYW 	C38H45N7O12	791.3126	NA	PeJP	NA	NA
+PJ036156	PPDDYW 	C38H45N7O12	791.3127	NA	PeJP	NA	NA
+PJ036157	DKMMMH 	C31H53N9O9S3	791.3129	NA	PeJP	NA	NA
+PJ036158	GSSMHHH 	C31H45N13O10S	791.3133	NA	PeJP	NA	NA
+PJ036159	GGGPCQHH 	C31H45N13O10S	791.3134	NA	PeJP	NA	NA
+PJ036160	PTEEMW 	C35H49N7O12S	791.316	NA	PeJP	NA	NA
+PJ036161	PPMMMW 	C36H53N7O7S3	791.3169	NA	PeJP	NA	NA
+PJ036162	KEEEEE 	C31H49N7O17	791.3185	NA	PeJP	NA	NA
+PJ036163	GPVEEMM 	C32H53N7O12S2	791.3194	NA	PeJP	NA	NA
+PJ036164	SNDDRW 	C32H45N11O13	791.3199	NA	PeJP	NA	NA
+PJ036165	PCCQRW 	C33H49N11O8S2	791.3207	NA	PeJP	NA	NA
+PJ036166	NNEEMR 	C29H49N11O13S	791.3232	NA	PeJP	NA	NA
+PJ036167	GGGGEEMR 	C29H49N11O13S	791.3233	NA	PeJP	NA	NA
+PJ036168	GSQEWW 	C37H45N9O11	791.3239	NA	PeJP	NA	NA
+PJ036169	SMMMHR 	C30H53N11O8S3	791.3241	NA	PeJP	NA	NA
+PJ036170	AQQEMW 	C34H49N9O11S	791.3272	NA	PeJP	NA	NA
+PJ036171	GAAQEMW 	C34H49N9O11S	791.3273	NA	PeJP	NA	NA
+PJ036172	NFYYW 	C42H45N7O9	791.3279	NA	PeJP	NA	NA
+PJ036173	ASTQQEE 	C30H49N9O16	791.3297	NA	PeJP	NA	NA
+PJ036174	TEEEER 	C30H49N9O16	791.3298	NA	PeJP	NA	NA
+PJ036175	PEEMMR 	C31H53N9O11S2	791.3306	NA	PeJP	NA	NA
+PJ036176	SSSTHHH 	C31H45N13O12	791.3311	NA	PeJP	NA	NA
+PJ036177	PPDMFW 	C39H49N7O9S	791.3313	NA	PeJP	NA	NA
+PJ036178	CKMHHH 	C32H49N13O7S2	791.332	NA	PeJP	NA	NA
+PJ036179	SLEEEW 	C35H49N7O14	791.3338	NA	PeJP	NA	NA
+PJ036180	CNDERR 	C28H49N13O12S	791.3345	NA	PeJP	NA	NA
+PJ036181	GKMMYY 	C36H53N7O9S2	791.3346	NA	PeJP	NA	NA
+PJ036182	PVEMMW 	C36H53N7O9S2	791.3347	NA	PeJP	NA	NA
+PJ036183	SPEHHW 	C36H45N11O10	791.3351	NA	PeJP	NA	NA
+PJ036184	SSPLEEM 	C32H53N7O14S	791.3371	NA	PeJP	NA	NA
+PJ036185	AALEEEM 	C32H53N7O14S	791.3372	NA	PeJP	NA	NA
+PJ036186	SPPVMMM 	C33H57N7O9S3	791.338	NA	PeJP	NA	NA
+PJ036187	GNEMRW 	C33H49N11O10S	791.3385	NA	PeJP	NA	NA
+PJ036188	SQWWW 	C41H45N9O8	791.3391	NA	PeJP	NA	NA
+PJ036189	GSSQEER 	C29H49N11O15	791.341	NA	PeJP	NA	NA
+MJ094540	Milliamine C; 20-Ac 	C45H49N3O10	791.341794	NA	MeJP	NA	NA
+MJ094541	Milliamine C; 3-O-Deacyl-5-O-acyl isomer, 20-Ac 	C45H49N3O10	791.341794	NA	MeJP	NA	NA
+MJ094542	Milliamine C; 5-Ac 	C45H49N3O10	791.341794	NA	MeJP	NA	NA
+PJ036190	GSPNMMR 	C30H53N11O10S2	791.3419	NA	PeJP	NA	NA
+PJ036191	NNDHHR 	C30H45N15O11	791.3423	NA	PeJP	NA	NA
+PJ036192	GGGGDHHR 	C30H45N15O11	791.3424	NA	PeJP	NA	NA
+PJ036193	AAQMWW 	C38H49N9O8S	791.3425	NA	PeJP	NA	NA
+PJ036194	SNKEEW 	C34H49N9O13	791.345	NA	PeJP	NA	NA
+PJ036195	PCQKMW 	C35H53N9O8S2	791.3459	NA	PeJP	NA	NA
+PJ036196	AQHHHY 	C35H45N13O9	791.3463	NA	PeJP	NA	NA
+PJ036197	GQQHHW 	C35H45N13O9	791.3464	NA	PeJP	NA	NA
+PJ036198	VEEEMR 	C31H53N9O13S	791.3484	NA	PeJP	NA	NA
+PJ036199	PPTEYW 	C39H49N7O11	791.349	NA	PeJP	NA	NA
+PJ036200	GCDRRW 	C32H49N13O9S	791.3497	NA	PeJP	NA	NA
+3633	NA	YPFGFY~	791.351	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ036201	GSSDDRR 	C28H49N13O14	791.3522	NA	PeJP	NA	NA
+PJ036202	VVEEMW 	C36H53N7O11S	791.3524	NA	PeJP	NA	NA
+PJ036203	GPTCCRR 	C29H53N13O9S2	791.3531	NA	PeJP	NA	NA
+PJ036204	NMRWW 	C37H49N11O7S	791.3537	NA	PeJP	NA	NA
+PJ036205	GGMRWW 	C37H49N11O7S	791.3538	NA	PeJP	NA	NA
+PJ036206	ATTLEEE 	C32H53N7O16	791.3549	NA	PeJP	NA	NA
+PJ036207	APTLEMM 	C33H57N7O11S2	791.3558	NA	PeJP	NA	NA
+PJ036208	SSQERW 	C33H49N11O12	791.3562	NA	PeJP	NA	NA
+PJ036209	GGGSSNKW 	C33H49N11O12	791.3563	NA	PeJP	NA	NA
+PJ036210	PCCKRW 	C34H53N11O7S2	791.3571	NA	PeJP	NA	NA
+PJ036211	PQHHHH 	C34H45N15O8	791.3576	NA	PeJP	NA	NA
+PJ036212	NDKEMR 	C30H53N11O12S	791.3596	NA	PeJP	NA	NA
+PJ036213	QRYYY 	C38H49N9O10	791.3602	NA	PeJP	NA	NA
+PJ036214	GSKEWW 	C38H49N9O10	791.3603	NA	PeJP	NA	NA
+PJ036215	AQKEMW 	C35H53N9O10S	791.3636	NA	PeJP	NA	NA
+PJ036216	GGVDKMW 	C35H53N9O10S	791.3637	NA	PeJP	NA	NA
+PJ036217	GQFFFF 	C43H49N7O8	791.3643	NA	PeJP	NA	NA
+PJ036218	GSDKKEE 	C31H53N9O15	791.3661	NA	PeJP	NA	NA
+PJ036219	GGSSLDKE 	C31H53N9O15	791.3662	NA	PeJP	NA	NA
+PJ036220	GPTQKMM 	C32H57N9O10S2	791.367	NA	PeJP	NA	NA
+PJ036221	NNNQFR 	C32H49N13O11	791.3675	NA	PeJP	NA	NA
+PJ036222	PPVMYW 	C40H53N7O8S	791.3677	NA	PeJP	NA	NA
+PJ036223	AAPLEEY 	C36H53N7O13	791.3702	NA	PeJP	NA	NA
+PJ036224	SNEMRR 	C29H53N13O11S	791.3708	NA	PeJP	NA	NA
+PJ036225	GGSEMRR 	C29H53N13O11S	791.3709	NA	PeJP	NA	NA
+PJ036226	GPPLMMF 	C37H57N7O8S2	791.371	NA	PeJP	NA	NA
+PJ036227	GSTRWW 	C37H49N11O9	791.3715	NA	PeJP	NA	NA
+PJ036228	GTLLEEM 	C33H57N7O13S	791.3735	NA	PeJP	NA	NA
+PJ036229	GPLLMMM 	C34H61N7O8S3	791.3744	NA	PeJP	NA	NA
+PJ036230	GDKMRW 	C34H53N11O9S	791.3749	NA	PeJP	NA	NA
+PJ036231	SKWWW 	C42H49N9O7	791.3755	NA	PeJP	NA	NA
+PJ036232	GSSKEER 	C30H53N11O14	791.3774	NA	PeJP	NA	NA
+PJ036233	VQQMMR 	C31H57N11O9S2	791.3782	NA	PeJP	NA	NA
+PJ036234	GGLQMMR 	C31H57N11O9S2	791.3783	NA	PeJP	NA	NA
+8207	RL-Y6/G6 - synthetic peptide	AMRLTGNRPCLYAT	791.37865	MH2+	Inhouse_peptide	NA	peptide
+8210	RL-Y12/G12 - synthetic peptide	AMRLTYNRPCLGAT	791.37865	MH2+	Inhouse_peptide	NA	peptide
+PJ036235	SQQHHR 	C31H49N15O10	791.3787	NA	PeJP	NA	NA
+PJ036236	AAKMWW 	C39H53N9O7S	791.3789	NA	PeJP	NA	NA
+PJ036237	SDKKEW 	C35H53N9O12	791.3814	NA	PeJP	NA	NA
+PJ036238	SCDRRR 	C28H53N15O10S	791.3821	NA	PeJP	NA	NA
+PJ036239	PCKKMW 	C36H57N9O7S2	791.3823	NA	PeJP	NA	NA
+PJ036240	GQKHHW 	C36H49N13O8	791.3827	NA	PeJP	NA	NA
+PJ036241	GGAKHHW 	C36H49N13O8	791.3828	NA	PeJP	NA	NA
+PJ036242	QKKEEM 	C32H57N9O12S	791.3848	NA	PeJP	NA	NA
+PJ036243	PVVEYW 	C40H53N7O10	791.3854	NA	PeJP	NA	NA
+PJ036244	GSMRRW 	C33H53N13O8S	791.3861	NA	PeJP	NA	NA
+PJ036245	HFFRW 	C41H49N11O6	791.3868	NA	PeJP	NA	NA
+PJ036246	GSSTERR 	C29H53N13O13	791.3886	NA	PeJP	NA	NA
+PJ036247	TLLEMW 	C37H57N7O10S	791.3888	NA	PeJP	NA	NA
+PJ036248	AQMMRR 	C30H57N13O8S2	791.3895	NA	PeJP	NA	NA
+PJ036249	STTLLEE 	C33H57N7O15	791.3913	NA	PeJP	NA	NA
+PJ036250	GVLLEMM 	C34H61N7O10S2	791.3922	NA	PeJP	NA	NA
+PJ036251	SSKERW 	C34H53N11O11	791.3926	NA	PeJP	NA	NA
+PJ036252	GGGGLEFR 	C34H53N11O11	791.3927	NA	PeJP	NA	NA
+PJ036253	PKHHHH 	C35H49N15O7	791.394	NA	PeJP	NA	NA
+PJ036254	TQKEMR 	C31H57N11O11S	791.396	NA	PeJP	NA	NA
+PJ036255	ATTKWW 	C39H53N9O9	791.3966	NA	PeJP	NA	NA
+PJ036256	SSVKWW 	C39H53N9O9	791.3967	NA	PeJP	NA	NA
+PJ036257	AKKEMW 	C36H57N9O9S	791.4	NA	PeJP	NA	NA
+PJ036258	PPVFFW 	C44H53N7O7	791.4007	NA	PeJP	NA	NA
+PJ036259	GTTKKEE 	C32H57N9O14	791.4025	NA	PeJP	NA	NA
+PJ036260	LLEMMR 	C33H61N9O9S2	791.4034	NA	PeJP	NA	NA
+PJ036261	SSTRRW 	C33H53N13O10	791.4039	NA	PeJP	NA	NA
+PJ036262	PVLMFW 	C41H57N7O7S	791.4041	NA	PeJP	NA	NA
+PJ036263	ASPLLEY 	C37H57N7O12	791.4065	NA	PeJP	NA	NA
+PJ036264	GPTLLEY 	C37H57N7O12	791.4066	NA	PeJP	NA	NA
+PJ036265	SDKMRR 	C30H57N13O10S	791.4072	NA	PeJP	NA	NA
+PJ036266	GGGSCKKR 	C30H57N13O10S	791.4073	NA	PeJP	NA	NA
+PJ036267	VLLMMW 	C38H61N7O7S2	791.4074	NA	PeJP	NA	NA
+PJ036268	GVQFRW 	C38H53N11O8	791.4079	NA	PeJP	NA	NA
+MJ094543	Ganefromycin ?1; 32-O-(2,6-Dideoxy-?-L-galactopyranoside) 	C41H61NO14	791.409205	NA	MeJP	NA	NA
+PJ036269	SSLLLEM 	C34H61N7O12S	791.4099	NA	PeJP	NA	NA
+PJ036270	ATKMRW 	C35H57N11O8S	791.4113	NA	PeJP	NA	NA
+PJ036271	SSTTLQR 	C31H57N11O13	791.4137	NA	PeJP	NA	NA
+PJ036272	GTTTKER 	C31H57N11O13	791.4138	NA	PeJP	NA	NA
+PJ036273	VQKMMR 	C32H61N11O8S2	791.4146	NA	PeJP	NA	NA
+PJ036274	SQKHHR 	C32H53N15O9	791.4151	NA	PeJP	NA	NA
+PJ036275	TTKKEW 	C36H57N9O11	791.4178	NA	PeJP	NA	NA
+PJ036276	SSMRRR 	C29H57N15O9S	791.4185	NA	PeJP	NA	NA
+PJ036277	QFRRW 	C37H53N13O7	791.4191	NA	PeJP	NA	NA
+PJ036278	SPTTKKM 	C33H61N9O11S	791.4211	NA	PeJP	NA	NA
+PJ036279	KKKEEM 	C33H61N9O11S	791.4212	NA	PeJP	NA	NA
+PJ036280	PTLLYW 	C41H57N7O9	791.4218	NA	PeJP	NA	NA
+PJ036281	VLMHHR 	C34H57N13O7S	791.4225	NA	PeJP	NA	NA
+PJ036282	SSSSLRR 	C30H57N13O12	791.425	NA	PeJP	NA	NA
+PJ036283	GPVLLMY 	C38H61N7O9S	791.4252	NA	PeJP	NA	NA
+PJ036284	AKMMRR 	C31H61N13O7S2	791.4259	NA	PeJP	NA	NA
+PJ036285	SVVLLMM 	C35H65N7O9S2	791.4285	NA	PeJP	NA	NA
+PJ036286	ATLLLMM 	C35H65N7O9S2	791.4286	NA	PeJP	NA	NA
+PJ036287	TTTKRW 	C35H57N11O10	791.429	NA	PeJP	NA	NA
+MJ094544	Leucomycin B; Leucomycin B2 	C38H65NO16	791.430335	NA	MeJP	NA	NA
+PJ036288	TKKEMR 	C32H61N11O10S	791.4324	NA	PeJP	NA	NA
+PJ036289	APKKYW 	C40H57N9O8	791.433	NA	PeJP	NA	NA
+PJ036290	GGVVKFW 	C40H57N9O8	791.4331	NA	PeJP	NA	NA
+PJ036291	SLKKMW 	C37H61N9O8S	791.4364	NA	PeJP	NA	NA
+PJ036292	SSTLKKE 	C33H61N9O13	791.4389	NA	PeJP	NA	NA
+PJ036293	AALKKMM 	C34H65N9O8S2	791.4398	NA	PeJP	NA	NA
+PJ036294	GLQRRY 	C34H57N13O9	791.4403	NA	PeJP	NA	NA
+PJ036295	AALLLEY 	C38H61N7O11	791.4429	NA	PeJP	NA	NA
+PJ036296	TTKMRR 	C31H61N13O9S	791.4436	NA	PeJP	NA	NA
+PJ036297	GVKFRW 	C39H57N11O7	791.4443	NA	PeJP	NA	NA
+PJ036298	TTTLLLM 	C35H65N7O11S	791.4463	NA	PeJP	NA	NA
+PJ036299	SSTTLKR 	C32H61N11O12	791.4501	NA	PeJP	NA	NA
+PJ036300	GGSSTKKK 	C32H61N11O12	791.4502	NA	PeJP	NA	NA
+PJ036301	VKKMMR 	C33H65N11O7S2	791.451	NA	PeJP	NA	NA
+PJ036302	AARRRY 	C33H57N15O8	791.4515	NA	PeJP	NA	NA
+PJ036303	VLLERY 	C37H61N9O10	791.4542	NA	PeJP	NA	NA
+PJ036304	KFRRW 	C38H57N13O6	791.4555	NA	PeJP	NA	NA
+PJ036305	ATTLKKM 	C34H65N9O10S	791.4575	NA	PeJP	NA	NA
+PJ036306	VVLLYW 	C42H61N7O8	791.4582	NA	PeJP	NA	NA
+PJ036307	GVLLLMF 	C39H65N7O8S	791.4616	NA	PeJP	NA	NA
+PJ036308	APHRRR 	C32H57N17O7	791.4627	NA	PeJP	NA	NA
+PJ036309	PTKKRY 	C36H61N11O9	791.4654	NA	PeJP	NA	NA
+PJ036310	GTCKKKK 	C33H65N11O9S	791.4688	NA	PeJP	NA	NA
+PJ036311	ALKKFW 	C41H61N9O7	791.4694	NA	PeJP	NA	NA
+PJ036312	LLLMFR 	C38H65N9O7S	791.4728	NA	PeJP	NA	NA
+PJ036313	TTTTLKK 	C34H65N9O12	791.4753	NA	PeJP	NA	NA
+PJ036314	GLKRRY 	C35H61N13O8	791.4766	NA	PeJP	NA	NA
+PJ036315	GTLLLLY 	C39H65N7O10	791.4793	NA	PeJP	NA	NA
+MJ094545	Antibiotic FK 520 isomer 	C43H69NO12	791.481976	NA	MeJP	NA	NA
+MJ094546	Ascomycin 	C43H69NO12	791.481976	NA	MeJP	NA	NA
+C12102	FK520	C43H69NO12	791.482	NA	KEGG	NA	NA
+PJ036316	SSSKKKK 	C33H65N11O11	791.4865	NA	PeJP	NA	NA
+PJ036317	PVKHRR 	C34H61N15O7	791.4879	NA	PeJP	NA	NA
+MJ094547	Depsidomycin 	C38H65N9O9	791.490524	NA	MeJP	NA	NA
+PJ036318	LLQKKY 	C38H65N9O9	791.4906	NA	PeJP	NA	NA
+PJ036319	VVKKRY 	C37H65N11O8	791.5018	NA	PeJP	NA	NA
+MJ094548	Erythromycin; 14-(1-Hydroxypropyl) 	C40H73NO14	791.503106	NA	MeJP	NA	NA
+MJ094549	Scytophycin C; 19-De-O-Me 	C44H73NO11	791.518362	NA	MeJP	NA	NA
+PJ036320	LLKKKY 	C39H69N9O8	791.5269	NA	PeJP	NA	NA
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR543	18 :0-22 :6 PE F1	NA	791.542025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+EUR1006	PC 38:6 [M-H-CH3]-	C46H80NO8P	791.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1006	PC 38:6 [M-H-CH3]-	C46H80NO8P	791.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1006	PC 38:6 [M-H-CH3]-	C46H80NO8P	791.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1006	PC 38:6 [M-H-CH3]-	C46H80NO8P	791.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07958	PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB08724	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09012	PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09043	PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09044	PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09076	PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09077	PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09108	PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09206	PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09269	PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09300	PE(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09301	PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09331	PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09332	PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09364	PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09365	PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09396	PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09429	PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09461	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09558	PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09588	PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09619	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09620	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09652	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09653	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB09684	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	C45H78NO8P	791.546509	NA	HMDB2010	NA	NA
+HMDB05334	GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H78NO8P	791.54651	http://www.hmdb.ca/metabolites/HMDB05334	HMDB	NA	NA
+HMDB05334	GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C45H78NO8P	791.54651	HMDB05334	PFEM_hmdb_metabocards_official	NA	NA
+EUR933	PC 32:1 [M-H+acetate]-	C40H78NO8P	791.567607	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR933	PC 32:1 [M-H+acetate]-	C40H78NO8P	791.567607	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR933	PC 32:1 [M-H+acetate]-	C40H78NO8P	791.567607	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR933	PC 32:1 [M-H+acetate]-	C40H78NO8P	791.567607	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12378	PS(18:0/18:0)	C42H82NO10P	791.567627	NA	HMDB2010	NA	NA
+HMDB08457	PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB08458	PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB08490	PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB08491	PC(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB08522	PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0)	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB08685	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0)	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB08718	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11227	PC(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11228	PC(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11255	PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11286	PC(P-18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11287	PC(dm18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11319	PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB11320	PC(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+HMDB13409	PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H82NO7P	791.582886	NA	HMDB2010	NA	NA
+EUR1078	SM(d18:1/18:0) [M-H+acetate]-	C41H84N2O6P	791.627801	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1078	SM(d18:1/18:0) [M-H+acetate]-	C41H84N2O6P	791.627801	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1078	SM(d18:1/18:0) [M-H+acetate]-	C41H84N2O6P	791.627801	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1078	SM(d18:1/18:0) [M-H+acetate]-	C41H84N2O6P	791.627801	masses lipides attendues	Inhousejuil11	NA	NA
+PJ036321	GSCCCCCD 	C24H40N8O12S5	792.137	NA	PeJP	NA	NA
+PJ036322	CCCCCQM 	C25H44N8O9S6	792.1556	NA	PeJP	NA	NA
+PJ036323	CCCCCCR 	C24H44N10O8S6	792.1668	NA	PeJP	NA	NA
+PJ036324	GSSCCCCM 	C25H44N8O11S5	792.1733	NA	PeJP	NA	NA
+C04787	Cyanidin 3-rutinoside-5-glucoside	C33H41O20	792.188	NA	KEGG	NA	NA
+C04788	Glycano-1,3-(N-acetyl-alpha-D-galactosaminyl)-glycoprotein	C33H41O20	792.188	NA	KEGG	NA	NA
+C04789	Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose	C14H25NO14PR	792.188	NA	KEGG	NA	NA
+C04790	N-Acetyl-beta-D-mannosaminouronosyl-1,4-lipopolysaccharide	C14H25NO14PR	792.188	NA	KEGG	NA	NA
+C04791	beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein	C14H24NO11R	792.188	NA	KEGG	NA	NA
+C04792	1-Acyl-2-[(S)-12-hydroxyoleoyl]-sn-glycero-3-phosphocholine	C27H52NO9PR	792.188	NA	KEGG	NA	NA
+PJ036325	SSSTCCCC 	C25H44N8O13S4	792.1911	NA	PeJP	NA	NA
+PJ036326	CCCCCKM 	C26H48N8O8S6	792.192	NA	PeJP	NA	NA
+PJ036327	ACCCCQY 	C29H44N8O10S4	792.2063	NA	PeJP	NA	NA
+PJ036328	GCCCNMY 	C29H44N8O10S4	792.2064	NA	PeJP	NA	NA
+PJ036329	SCCNDDH 	C27H40N10O14S2	792.2167	NA	PeJP	NA	NA
+PJ036330	PCCCCQH 	C28H44N10O9S4	792.2176	NA	PeJP	NA	NA
+PJ036331	PCNDDDD 	C28H40N8O17S	792.2232	NA	PeJP	NA	NA
+PJ036332	GGPCDDDD 	C28H40N8O17S	792.2233	NA	PeJP	NA	NA
+PJ036333	SSCCCQY 	C29H44N8O12S3	792.2241	NA	PeJP	NA	NA
+PJ036334	CDDDYY 	C33H40N6O15S	792.2273	NA	PeJP	NA	NA
+PJ036335	CDMMMY 	C31H48N6O10S4	792.2315	NA	PeJP	NA	NA
+PJ036336	ACCNDMH 	C28H44N10O11S3	792.2353	NA	PeJP	NA	NA
+PJ036337	GCCNEMH 	C28H44N10O11S3	792.2354	NA	PeJP	NA	NA
+PJ036338	GCCCNFF 	C33H44N8O9S3	792.2394	NA	PeJP	NA	NA
+PJ036339	GNDDDEE 	C28H40N8O19	792.241	NA	PeJP	NA	NA
+PJ036340	GSSSSCCY 	C29H44N8O14S2	792.2419	NA	PeJP	NA	NA
+PJ036341	ACCCCKY 	C30H48N8O9S4	792.2427	NA	PeJP	NA	NA
+PJ036342	APPPCCCC 	C30H48N8O9S4	792.2428	NA	PeJP	NA	NA
+PJ036343	CDDMFY 	C34H44N6O12S2	792.2459	NA	PeJP	NA	NA
+PJ036344	GCCCDHR 	C27H44N12O10S3	792.2466	NA	PeJP	NA	NA
+PJ036345	CMMMMF 	C32H52N6O7S5	792.2501	NA	PeJP	NA	NA
+PJ036346	CCNMHW 	C32H44N10O8S3	792.2506	NA	PeJP	NA	NA
+PJ036347	SNNNDDD 	C27H40N10O18	792.2522	NA	PeJP	NA	NA
+PJ036348	GGGGSNDDD 	C27H40N10O18	792.2523	NA	PeJP	NA	NA
+PJ036349	SSCNDMH 	C28H44N10O13S2	792.2531	NA	PeJP	NA	NA
+PJ036350	PCCCCKH 	C29H48N10O8S4	792.254	NA	PeJP	NA	NA
+PJ036351	NDDDEW 	C32H40N8O16	792.2563	NA	PeJP	NA	NA
+PJ036352	CCNQYY 	C33H44N8O11S2	792.2571	NA	PeJP	NA	NA
+MJ094550	5,6,7,8-Tetrahydromethanopterin 	C30H45N6O17P	792.25788	NA	MeJP	NA	NA
+PJ036353	SPNDDDM 	C29H44N8O16S	792.2596	NA	PeJP	NA	NA
+PJ036354	SSCCCKY 	C30H48N8O11S3	792.2605	NA	PeJP	NA	NA
+PJ036355	SDDMYY 	C34H44N6O14S	792.2636	NA	PeJP	NA	NA
+PJ036356	CDMMFF 	C35H48N6O9S3	792.2645	NA	PeJP	NA	NA
+PJ036357	EEEEEE 	C30H44N6O19	792.2662	NA	PeJP	NA	NA
+PJ036358	SMMMMY 	C32H52N6O9S4	792.2679	NA	PeJP	NA	NA
+PJ036359	GSTCCHW 	C32H44N10O10S2	792.2684	NA	PeJP	NA	NA
+PJ036360	GSSSSCEH 	C28H44N10O15S	792.2709	NA	PeJP	NA	NA
+PJ036361	GDDDWW 	C36H40N8O13	792.2715	NA	PeJP	NA	NA
+PJ036362	PPCCCDR 	C29H48N10O10S3	792.2717	NA	PeJP	NA	NA
+PJ036363	GSPCDEW 	C33H44N8O13S	792.2749	NA	PeJP	NA	NA
+PJ036364	GPPCCMW 	C34H48N8O8S3	792.2758	NA	PeJP	NA	NA
+PJ036365	GSNEEEE 	C29H44N8O18	792.2774	NA	PeJP	NA	NA
+PJ036366	GPNDEMM 	C30H48N8O13S2	792.2783	NA	PeJP	NA	NA
+PJ036367	CDDFFF 	C38H44N6O11S	792.2789	NA	PeJP	NA	NA
+PJ036368	CEMHHH 	C31H44N12O9S2	792.2796	NA	PeJP	NA	NA
+PJ036369	GCNNDDR 	C27H44N12O14S	792.2821	NA	PeJP	NA	NA
+PJ036370	GEMMYY 	C35H48N6O11S2	792.2823	NA	PeJP	NA	NA
+PJ036371	GSCCMHR 	C28H48N12O9S3	792.283	NA	PeJP	NA	NA
+PJ036372	CCHHFF 	C36H44N10O7S2	792.2836	NA	PeJP	NA	NA
+MJ094551	Fraxiformoside; O-?-D-Glucopyranoside 	C38H48O18	792.284064	NA	MeJP	NA	NA
+PJ036373	SSSSCHW 	C32H44N10O12S	792.2861	NA	PeJP	NA	NA
+PJ036374	GSDDDER 	C28H44N10O17	792.2886	NA	PeJP	NA	NA
+PJ036375	GPCDDMR 	C29H48N10O12S2	792.2895	NA	PeJP	NA	NA
+PJ036376	SPCDWW 	C37H44N8O10S	792.2901	NA	PeJP	NA	NA
+PJ036377	SNEEEW 	C33H44N8O15	792.2926	NA	PeJP	NA	NA
+PJ036378	GGSEEEW 	C33H44N8O15	792.2927	NA	PeJP	NA	NA
+PJ036379	PNDMMW 	C34H48N8O10S2	792.2935	NA	PeJP	NA	NA
+PJ036380	QQEEEM 	C30H48N8O15S	792.296	NA	PeJP	NA	NA
+PJ036381	GDEFYY 	C38H44N6O13	792.2967	NA	PeJP	NA	NA
+PJ036382	SPPCQMM 	C31H52N8O10S3	792.2969	NA	PeJP	NA	NA
+PJ036383	GPCNEHH 	C31H44N12O11S	792.2974	NA	PeJP	NA	NA
+PJ036384	MMYYW 	C39H48N6O8S2	792.2975	NA	PeJP	NA	NA
+PJ036385	GSSSNNNN 	C27H44N12O16	792.2998	NA	PeJP	NA	NA
+PJ036386	GGGSSSNNN 	C27H44N12O16	792.2999	NA	PeJP	NA	NA
+PJ036387	STEMYY 	C35H48N6O13S	792.3	NA	PeJP	NA	NA
+PJ036388	SSTCCHR 	C28H48N12O11S2	792.3007	NA	PeJP	NA	NA
+PJ036389	AMMMFY 	C36H52N6O8S3	792.3009	NA	PeJP	NA	NA
+PJ036390	GCNQWW 	C36H44N10O9S	792.3014	NA	PeJP	NA	NA
+PJ036391	SDDDRW 	C32H44N10O14	792.3039	NA	PeJP	NA	NA
+PJ036392	NNMMHF 	C33H48N10O9S2	792.3047	NA	PeJP	NA	NA
+PJ036393	PCCERW 	C33H48N10O9S2	792.3048	NA	PeJP	NA	NA
+PJ036394	SSPCDER 	C29H48N10O14S	792.3072	NA	PeJP	NA	NA
+PJ036395	NDEEMR 	C29H48N10O14S	792.3073	NA	PeJP	NA	NA
+PJ036396	GSEEWW 	C37H44N8O12	792.3079	NA	PeJP	NA	NA
+PJ036397	SPPCCMR 	C30H52N10O9S3	792.3081	NA	PeJP	NA	NA
+PJ036398	APCMWW 	C38H48N8O7S2	792.3088	NA	PeJP	NA	NA
+PJ036399	AQEEMW 	C34H48N8O12S	792.3113	NA	PeJP	NA	NA
+PJ036400	DFYYW 	C42H44N6O10	792.3119	NA	PeJP	NA	NA
+PJ036401	PMMMHF 	C35H52N8O7S3	792.3121	NA	PeJP	NA	NA
+PJ036402	PCNHHW 	C35H44N12O8S	792.3126	NA	PeJP	NA	NA
+PJ036403	GSDKEEE 	C30H48N8O17	792.3138	NA	PeJP	NA	NA
+PJ036404	GPTQEMM 	C31H52N8O12S2	792.3146	NA	PeJP	NA	NA
+PJ036405	GGAPTEMM 	C31H52N8O12S2	792.3147	NA	PeJP	NA	NA
+PJ036406	GNNNNNF 	C31H44N12O13	792.3151	NA	PeJP	NA	NA
+PJ036407	GGGGGGGGGGGF 	C31H44N12O13	792.3152	NA	PeJP	NA	NA
+PJ036408	GPMYYY 	C39H48N6O10S	792.3153	NA	PeJP	NA	NA
+PJ036409	LMMMMH 	C32H56N8O7S4	792.3155	NA	PeJP	NA	NA
+PJ036410	CCQHFR 	C32H48N12O8S2	792.316	NA	PeJP	NA	NA
+PJ036411	CDDERR 	C28H48N12O13S	792.3185	NA	PeJP	NA	NA
+PJ036412	SVMMYY 	C36H52N6O10S2	792.3187	NA	PeJP	NA	NA
+PJ036413	SSNNWW 	C36H44N10O11	792.3191	NA	PeJP	NA	NA
+PJ036414	GGGGDHFF 	C36H44N10O11	792.3192	NA	PeJP	NA	NA
+PJ036415	GDEMRW 	C33H48N10O11S	792.3225	NA	PeJP	NA	NA
+PJ036416	SEWWW 	C41H44N8O9	792.3231	NA	PeJP	NA	NA
+PJ036417	GSSEEER 	C29H48N10O16	792.325	NA	PeJP	NA	NA
+PJ036418	GSPDMMR 	C30H52N10O11S2	792.3259	NA	PeJP	NA	NA
+PJ036419	GSNNQHH 	C30H44N14O12	792.3263	NA	PeJP	NA	NA
+PJ036420	NDDHHR 	C30H44N14O12	792.3264	NA	PeJP	NA	NA
+PJ036421	AAEMWW 	C38H48N8O9S	792.3265	NA	PeJP	NA	NA
+PJ036422	SDKEEW 	C34H48N8O14	792.329	NA	PeJP	NA	NA
+PJ036423	PTQMMW 	C35H52N8O9S2	792.3299	NA	PeJP	NA	NA
+PJ036424	GQEHHW 	C35H44N12O10	792.3304	NA	PeJP	NA	NA
+PJ036425	MFFYW 	C43H48N6O7S	792.3305	NA	PeJP	NA	NA
+MJ094552	Cytotetrin; Cytotetrin A 	C38H52N2O16	792.331683	NA	MeJP	NA	NA
+PJ036426	QKEEEM 	C31H52N8O14S	792.3324	NA	PeJP	NA	NA
+PJ036427	GVEYYY 	C39H48N6O12	792.333	NA	PeJP	NA	NA
+PJ036428	GPVQMMM 	C32H56N8O9S3	792.3333	NA	PeJP	NA	NA
+CJneg0653	Phenylacetylglutamine [(3M-H)]-	C39H47N6O12	792.333525	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0653	Phenylacetylglutamine [(3M-H)]-	C39H47N6O12	792.333525	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ036429	SCNQRW 	C32H48N12O10S	792.3337	NA	PeJP	NA	NA
+PJ036430	GGGGTCRW 	C32H48N12O10S	792.3338	NA	PeJP	NA	NA
+PJ036431	AMMFFF 	C40H52N6O7S2	792.3339	NA	PeJP	NA	NA
+PJ036432	SSSNNER 	C28H48N12O15	792.3362	NA	PeJP	NA	NA
+MJ094553	Tenuisine A 	C44H48N4O10	792.337043	NA	MeJP	NA	NA
+PJ036433	NNQMMR 	C29H52N12O10S2	792.3371	NA	PeJP	NA	NA
+PJ036434	DMRWW 	C37H48N10O8S	792.3378	NA	PeJP	NA	NA
+PJ036435	ASSSQQW 	C33H48N10O13	792.3402	NA	PeJP	NA	NA
+PJ036436	SSEERW 	C33H48N10O13	792.3403	NA	PeJP	NA	NA
+PJ036437	PTCMRW 	C34H52N10O8S2	792.3411	NA	PeJP	NA	NA
+PJ036438	PEHHHH 	C34H44N14O9	792.3416	NA	PeJP	NA	NA
+PJ036439	CLWWW 	C42H48N8O6S	792.3418	NA	PeJP	NA	NA
+PJ036440	TQEEMR 	C30H52N10O13S	792.3436	NA	PeJP	NA	NA
+PJ036441	GGGGATDKM 	C30H52N10O13S	792.3437	NA	PeJP	NA	NA
+PJ036442	ATTEWW 	C38H48N8O11	792.3443	NA	PeJP	NA	NA
+PJ036443	PQMMMR 	C31H56N10O8S3	792.3445	NA	PeJP	NA	NA
+PJ036444	GSPCHHR 	C31H48N14O9S	792.345	NA	PeJP	NA	NA
+PJ036445	QHHWW 	C39H44N12O7	792.3456	NA	PeJP	NA	NA
+PJ036446	SLQEMW 	C35H52N8O11S	792.3476	NA	PeJP	NA	NA
+PJ036447	AKEEMW 	C35H52N8O11S	792.3477	NA	PeJP	NA	NA
+PJ036448	VYYYW 	C43H48N6O9	792.3483	NA	PeJP	NA	NA
+PJ036449	GGCNMRR 	C28H52N14O9S2	792.3484	NA	PeJP	NA	NA
+PJ036450	CLHHHF 	C36H48N12O7S	792.349	NA	PeJP	NA	NA
+PJ036451	STTLNEE 	C31H52N8O16	792.3501	NA	PeJP	NA	NA
+PJ036452	GTTKEEE 	C31H52N8O16	792.3502	NA	PeJP	NA	NA
+PJ036453	GPTKEMM 	C32H56N8O11S2	792.351	NA	PeJP	NA	NA
+PJ036454	GSSSNRW 	C32H48N12O12	792.3515	NA	PeJP	NA	NA
+PJ036455	GLMFYY 	C40H52N6O9S	792.3517	NA	PeJP	NA	NA
+PJ036456	CCKHFR 	C33H52N12O7S2	792.3524	NA	PeJP	NA	NA
+PJ036457	SDEMRR 	C29H52N12O12S	792.3549	NA	PeJP	NA	NA
+PJ036458	GPDRYW 	C37H48N10O10	792.3555	NA	PeJP	NA	NA
+PJ036459	PCMMRR 	C30H56N12O7S3	792.3557	NA	PeJP	NA	NA
+MJ094554	Hispidin A; 15-Deacyl, 15-(2-methylpropanoyl) 	C40H56O16	792.356835	NA	MeJP	NA	NA
+PJ036460	ATEMRW 	C34H52N10O10S	792.3589	NA	PeJP	NA	NA
+PJ036461	AAPYWW 	C42H48N8O8	792.3595	NA	PeJP	NA	NA
+PJ036462	GTTTEER 	C30H52N10O15	792.3614	NA	PeJP	NA	NA
+PJ036463	VQEMMR 	C31H56N10O10S2	792.3623	NA	PeJP	NA	NA
+PJ036464	SQEHHR 	C31H48N14O11	792.3627	NA	PeJP	NA	NA
+PJ036465	GGGGGSKHH 	C31H48N14O11	792.3628	NA	PeJP	NA	NA
+PJ036466	GTLMWW 	C39H52N8O8S	792.3629	NA	PeJP	NA	NA
+PJ036467	FFFFW 	C47H48N6O6	792.3636	NA	PeJP	NA	NA
+PJ036468	TTKEEW 	C35H52N8O13	792.3654	NA	PeJP	NA	NA
+PJ036469	GSSCQRR 	C28H52N14O11S	792.3661	NA	PeJP	NA	NA
+PJ036470	PTKMMW 	C36H56N8O8S2	792.3663	NA	PeJP	NA	NA
+PJ036471	SLHHHY 	C36H48N12O9	792.3667	NA	PeJP	NA	NA
+PJ036472	GNNFRW 	C36H48N12O9	792.3668	NA	PeJP	NA	NA
+PJ036473	KKEEEM 	C32H56N8O13S	792.3688	NA	PeJP	NA	NA
+PJ036474	ATLYYY 	C40H52N6O11	792.3694	NA	PeJP	NA	NA
+PJ036475	GPVKMMM 	C33H60N8O8S3	792.3697	NA	PeJP	NA	NA
+PJ036476	SCNKRW 	C33H52N12O9S	792.3701	NA	PeJP	NA	NA
+PJ036477	APPHWW 	C41H48N10O7	792.3708	NA	PeJP	NA	NA
+PJ036478	SSSNDKR 	C29H52N12O14	792.3726	NA	PeJP	NA	NA
+PJ036479	AEMMRR 	C30H56N12O9S2	792.3735	NA	PeJP	NA	NA
+PJ036480	GPMFRW 	C38H52N10O7S	792.3742	NA	PeJP	NA	NA
+PJ036481	TTTERW 	C34H52N10O12	792.3766	NA	PeJP	NA	NA
+PJ036482	GGASSTKW 	C34H52N10O12	792.3767	NA	PeJP	NA	NA
+PJ036483	GLMMRW 	C35H56N10O7S2	792.3775	NA	PeJP	NA	NA
+PJ036484	GTHHRW 	C35H48N14O8	792.378	NA	PeJP	NA	NA
+PJ036485	TKEEMR 	C31H56N10O12S	792.38	NA	PeJP	NA	NA
+PJ036486	STTLWW 	C39H52N8O10	792.3807	NA	PeJP	NA	NA
+PJ036487	PKMMMR 	C32H60N10O7S3	792.3809	NA	PeJP	NA	NA
+PJ036488	VNMHHR 	C32H52N14O8S	792.3814	NA	PeJP	NA	NA
+PJ036489	KHHWW 	C40H48N12O6	792.382	NA	PeJP	NA	NA
+MJ094555	Halomicin D 	C43H56N2O12	792.383325	NA	MeJP	NA	NA
+PJ036490	SSSSNRR 	C28H52N14O13	792.3838	NA	PeJP	NA	NA
+PJ036491	GGSSSSRR 	C28H52N14O13	792.3839	NA	PeJP	NA	NA
+PJ036492	SLKEMW 	C36H56N8O10S	792.384	NA	PeJP	NA	NA
+PJ036493	GGGPVLMY 	C36H56N8O10S	792.3841	NA	PeJP	NA	NA
+PJ036494	GLFFFY 	C44H52N6O8	792.3847	NA	PeJP	NA	NA
+PJ036495	SSTLKEE 	C32H56N8O15	792.3865	NA	PeJP	NA	NA
+PJ036496	AALKEMM 	C33H60N8O10S2	792.3874	NA	PeJP	NA	NA
+PJ036497	SPDRRY 	C33H52N12O11	792.3879	NA	PeJP	NA	NA
+PJ036498	GSSQKMR 	C30H56N12O11S	792.3912	NA	PeJP	NA	NA
+PJ036499	TTEMRR 	C30H56N12O11S	792.3913	NA	PeJP	NA	NA
+PJ036500	APTRYW 	C38H52N10O9	792.3919	NA	PeJP	NA	NA
+PJ036501	GMHHRR 	C31H52N16O7S	792.3926	NA	PeJP	NA	NA
+MJ094556	Betavulgaroside II 	C41H60O15	792.393221	NA	MeJP	NA	NA
+MJ094557	Neristatin I 	C41H60O15	792.393221	NA	MeJP	NA	NA
+PJ036502	STLMRW 	C35H56N10O9S	792.3953	NA	PeJP	NA	NA
+PJ036503	AALFWW 	C43H52N8O7	792.3959	NA	PeJP	NA	NA
+PJ036504	SSTTLER 	C31H56N10O14	792.3978	NA	PeJP	NA	NA
+PJ036505	ASCLLMR 	C32H60N10O9S2	792.3986	NA	PeJP	NA	NA
+PJ036506	VKEMMR 	C32H60N10O9S2	792.3987	NA	PeJP	NA	NA
+PJ036507	GNQRRY 	C32H52N14O10	792.3991	NA	PeJP	NA	NA
+PJ036508	PCLKFW 	C40H56N8O7S	792.3993	NA	PeJP	NA	NA
+PJ036509	SSSTLLW 	C36H56N8O12	792.4018	NA	PeJP	NA	NA
+PJ036510	GSSCKRR 	C29H56N14O10S	792.4025	NA	PeJP	NA	NA
+PJ036511	VVKMMW 	C37H60N8O7S2	792.4027	NA	PeJP	NA	NA
+PJ036512	EFRRW 	C37H52N12O8	792.4031	NA	PeJP	NA	NA
+PJ036513	GAPKHHF 	C37H52N12O8	792.4032	NA	PeJP	NA	NA
+PJ036514	ATTLKEM 	C33H60N8O12S	792.4052	NA	PeJP	NA	NA
+MJ094558	Laidlomycin; 26-Propanoyl, K salt 	C40H65KO13	792.406224	NA	MeJP	NA	NA
+PJ036515	APMRRY 	C34H56N12O8S	792.4065	NA	PeJP	NA	NA
+PJ036516	VFRWW 	C42H52N10O6	792.4072	NA	PeJP	NA	NA
+PJ036517	SSSTQKR 	C30H56N12O13	792.409	NA	PeJP	NA	NA
+C11641	3',4'-Anhydrovinblastine	C46H56N4O8	792.4098	NA	KEGG	NA	NA
+MJ094559	Vinblastine; 20'-Deoxy, 15',20'-didehydro 	C46H56N4O8	792.409814	NA	MeJP	NA	NA
+MJ094560	Vingramine 	C46H56N4O8	792.409814	NA	MeJP	NA	NA
+PJ036518	SLMMRR 	C31H60N12O8S2	792.4099	NA	PeJP	NA	NA
+PJ036519	STHHRR 	C31H52N16O9	792.4104	NA	PeJP	NA	NA
+PJ036520	GSSTKKW 	C35H56N10O11	792.413	NA	PeJP	NA	NA
+PJ036521	GGGGAALKY 	C35H56N10O11	792.4131	NA	PeJP	NA	NA
+MJ094561	1,6,10,14-Phytatetraene-3,17-diol, 17-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside 	C38H64O17	792.41435	NA	MeJP	NA	NA
+MJ094562	1-Dodecanol; O-[2,3,4-Tri-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C38H64O17	792.41435	NA	MeJP	NA	NA
+MJ094563	1-Dodecanol; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] 	C38H64O17	792.41435	NA	MeJP	NA	NA
+MJ094564	Mezzettiaside 7; 3''-Deglycosyl 	C38H64O17	792.41435	NA	MeJP	NA	NA
+PJ036522	LLHHHH 	C36H52N14O7	792.4144	NA	PeJP	NA	NA
+PJ036523	SSSLLMR 	C32H60N10O11S	792.4164	NA	PeJP	NA	NA
+PJ036524	SPLKYW 	C40H56N8O9	792.417	NA	PeJP	NA	NA
+MJ094565	Pohlianin C 	C40H56N8O9	792.417025	NA	MeJP	NA	NA
+PJ036525	PVTKYW 	C40H56N8O9	792.4171	NA	PeJP	NA	NA
+PJ036526	PPMHRR 	C33H56N14O7S	792.4178	NA	PeJP	NA	NA
+PJ036527	AAPLKMY 	C37H60N8O9S	792.4204	NA	PeJP	NA	NA
+PJ036528	CCKKRR 	C30H60N14O7S2	792.4211	NA	PeJP	NA	NA
+PJ036529	TTTTLKE 	C33H60N8O14	792.4229	NA	PeJP	NA	NA
+PJ036530	GTLLKMM 	C34H64N8O9S2	792.4238	NA	PeJP	NA	NA
+PJ036531	GLERRY 	C34H56N12O10	792.4243	NA	PeJP	NA	NA
+PJ036532	GSSKKMR 	C31H60N12O10S	792.4276	NA	PeJP	NA	NA
+PJ036533	GVLRYW 	C39H56N10O8	792.4283	NA	PeJP	NA	NA
+C08952	Gypsogenin 3-O-rhamnosylglucuronide	C42H64O14	792.4296	NA	KEGG	NA	NA
+MJ094566	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H64O14	792.429606	NA	MeJP	NA	NA
+MJ094567	3,21-Dihydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H64O14	792.429606	NA	MeJP	NA	NA
+MJ094568	3-Hydroxy-12,20(30)-ursadiene-27,28-dioic acid, 3-O-?-L-Rhamnopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H64O14	792.429606	NA	MeJP	NA	NA
+MJ094569	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H64O14	792.429606	NA	MeJP	NA	NA
+MJ094570	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Tigloyl, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C42H64O14	792.429606	NA	MeJP	NA	NA
+MJ094571	Glaucogenin C; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H64O14	792.429606	NA	MeJP	NA	NA
+MJ094572	Mabioside C 	C42H64O14	792.429606	NA	MeJP	NA	NA
+PJ036534	TCKKKW 	C36H60N10O8S	792.4317	NA	PeJP	NA	NA
+PJ036535	TTTTTLR 	C32H60N10O13	792.4341	NA	PeJP	NA	NA
+PJ036536	SSSKKKE 	C32H60N10O13	792.4342	NA	PeJP	NA	NA
+PJ036537	QKKKMM 	C33H64N10O8S2	792.435	NA	PeJP	NA	NA
+PJ036538	GNKRRY 	C33H56N14O9	792.4355	NA	PeJP	NA	NA
+PJ036539	LLQKEY 	C37H60N8O11	792.4382	NA	PeJP	NA	NA
+PJ036540	LRRYW 	C38H56N12O7	792.4395	NA	PeJP	NA	NA
+PJ036541	STTILKM 	C34H64N8O11S	792.4415	NA	PeJP	NA	NA
+PJ036542	STTLLKM 	C34H64N8O11S	792.4416	NA	PeJP	NA	NA
+PJ036543	ALMFRR 	C35H60N12O7S	792.4429	NA	PeJP	NA	NA
+PJ036544	SSSTKKR 	C31H60N12O12	792.4454	NA	PeJP	NA	NA
+PJ036545	CKKKMR 	C32H64N12O7S2	792.4463	NA	PeJP	NA	NA
+PJ036546	VVKERY 	C36H60N10O10	792.4494	NA	PeJP	NA	NA
+PJ036547	GTTKKKM 	C33H64N10O10S	792.4528	NA	PeJP	NA	NA
+PJ036548	ALLKYW 	C41H60N8O8	792.4534	NA	PeJP	NA	NA
+PJ036549	PPPVVVW 	C41H60N8O8	792.4535	NA	PeJP	NA	NA
+MJ094573	Factumycin; 31-Epimer, 29-Me ether 	C45H64N2O10	792.456096	NA	MeJP	NA	NA
+PJ036550	AALLKMF 	C38H64N8O8S	792.4568	NA	PeJP	NA	NA
+PJ036551	SQKKFR 	C35H60N12O9	792.4606	NA	PeJP	NA	NA
+MJ094574	Clavamine 	C35H60N12O9	792.460621	NA	MeJP	NA	NA
+PJ036552	SVLRRY 	C35H60N12O9	792.4607	NA	PeJP	NA	NA
+PJ036553	GKKKFW 	C40H60N10O7	792.4647	NA	PeJP	NA	NA
+MJ094575	3-Hydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-(3-O-acetyl-?-D-glucopyranosyl) ester 	C43H68O13	792.465992	NA	MeJP	NA	NA
+MJ094576	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside] 	C43H68O13	792.465992	NA	MeJP	NA	NA
+PJ036554	VLKMFR 	C37H64N10O7S	792.468	NA	PeJP	NA	NA
+PJ036555	STTTKKK 	C33H64N10O12	792.4705	NA	PeJP	NA	NA
+PJ036556	KKKKMM 	C34H68N10O7S2	792.4714	NA	PeJP	NA	NA
+PJ036557	PQKKHR 	C34H60N14O8	792.4719	NA	PeJP	NA	NA
+PJ036558	LLKKEY 	C38H64N8O10	792.4746	NA	PeJP	NA	NA
+PJ036559	TLLKRY 	C37H64N10O9	792.4858	NA	PeJP	NA	NA
+HMDB10599	PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C44H73O10P	792.494141	NA	HMDB2010	NA	NA
+HMDB10670	PG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C44H73O10P	792.494141	NA	HMDB2010	NA	NA
+HMDB10685	PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	C44H73O10P	792.494141	NA	HMDB2010	NA	NA
+PJ036560	AKKKRY 	C36H64N12O8	792.497	NA	PeJP	NA	NA
+MJ094577	Antibiotic 211-603 	C44H72O12	792.502377	NA	MeJP	NA	NA
+MJ094578	Macrotetrolide D 	C44H72O12	792.502377	NA	MeJP	NA	NA
+MJ094579	Tetranactin 	C44H72O12	792.502377	NA	MeJP	NA	NA
+C06764	Tetranactin	C44H72O12	792.5024	NA	KEGG	NA	NA
+PJ036561	VLLHRR 	C35H64N14O7	792.5083	NA	PeJP	NA	NA
+PJ036562	PPLLLLQ 	C39H68N8O9	792.511	NA	PeJP	NA	NA
+PJ036563	VKKKKY 	C38H68N10O8	792.5222	NA	PeJP	NA	NA
+PJ036564	PPLLLLK 	C40H72N8O8	792.5473	NA	PeJP	NA	NA
+EUR1048	SM(d18:0/18:0) [M-H+acetate]-	C41H85N2O6P	792.635626	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1048	SM(d18:0/18:0) [M-H+acetate]-	C41H85N2O6P	792.635626	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1048	SM(d18:0/18:0) [M-H+acetate]-	C41H85N2O6P	792.635626	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1048	SM(d18:0/18:0) [M-H+acetate]-	C41H85N2O6P	792.635626	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094580	20(29)-Lupen-3-ol, (2,2-Dimethyl-6-pentadecyl-1,3-dioxane-4-acetyl) 	C53H92O4	792.699561	NA	MeJP	NA	NA
+MJ094581	20(29)-Lupen-3-ol, 3-Hydroxytetracosanoyl 	C54H96O3	792.735946	NA	MeJP	NA	NA
+MJ094582	3-Hexadecyloxy-1,2-propanediol, Dihexadecanoyl 	C51H100O5	792.757076	NA	MeJP	NA	NA
+HMDB07818	DG(24:0/24:0/0:0)	C51H100O5	792.75708	NA	HMDB2010	NA	NA
+MJ094583	1,2-Bis-O-(3,7,11,15,19-pentamethyleicosyl)glycerol 	C53H108O3	792.829847	NA	MeJP	NA	NA
+PJ036565	CCCCCEM 	C25H43N7O10S6	793.1396	NA	PeJP	NA	NA
+PJ036566	PCCCCCY 	C29H43N7O9S5	793.1726	NA	PeJP	NA	NA
+PJ036567	TCCCCMM 	C26H47N7O9S6	793.176	NA	PeJP	NA	NA
+PJ036568	GCCCDMY 	C29H43N7O11S4	793.1904	NA	PeJP	NA	NA
+PJ036569	SCCDDDH 	C27H39N9O15S2	793.2007	NA	PeJP	NA	NA
+PJ036570	PCCCCEH 	C28H43N9O10S4	793.2016	NA	PeJP	NA	NA
+PJ036571	PCDDDDD 	C28H39N7O18S	793.2073	NA	PeJP	NA	NA
+PJ036572	SSCCCEY 	C29H43N7O13S3	793.2081	NA	PeJP	NA	NA
+PJ036573	GCCCMMF 	C30H47N7O8S5	793.209	NA	PeJP	NA	NA
+PJ036574	GCCDEMH 	C28H43N9O12S3	793.2194	NA	PeJP	NA	NA
+PJ036575	GCCCDFF 	C33H43N7O10S3	793.2234	NA	PeJP	NA	NA
+PJ036576	GDDDDEE 	C28H39N7O20	793.225	NA	PeJP	NA	NA
+PJ036577	GSCCMMY 	C30H47N7O10S4	793.2267	NA	PeJP	NA	NA
+PJ036578	VTCCCCY 	C30H47N7O10S4	793.2268	NA	PeJP	NA	NA
+PJ036579	SCCCNQH 	C27H43N11O11S3	793.2306	NA	PeJP	NA	NA
+PJ036580	CCDMHW 	C32H43N9O9S3	793.2346	NA	PeJP	NA	NA
+PJ036581	SNNDDDD 	C27H39N9O19	793.2362	NA	PeJP	NA	NA
+PJ036582	GGSNDDDD 	C27H39N9O19	793.2363	NA	PeJP	NA	NA
+PJ036583	SSCDDMH 	C28H43N9O14S2	793.2371	NA	PeJP	NA	NA
+PJ036584	PTCCCMH 	C29H47N9O9S4	793.238	NA	PeJP	NA	NA
+PJ036585	DDDDEW 	C32H39N7O17	793.2403	NA	PeJP	NA	NA
+PJ036586	CCNEYY 	C33H43N7O12S2	793.2411	NA	PeJP	NA	NA
+PJ036587	SPDDDDM 	C29H43N7O17S	793.2436	NA	PeJP	NA	NA
+PJ036588	PTCDDDE 	C29H43N7O17S	793.2437	NA	PeJP	NA	NA
+PJ036589	SSTCCMY 	C30H47N7O12S3	793.2445	NA	PeJP	NA	NA
+PJ036590	GSSSCCNH 	C27H43N11O13S2	793.2484	NA	PeJP	NA	NA
+PJ036591	GPCCNDW 	C32H43N9O11S2	793.2524	NA	PeJP	NA	NA
+PJ036592	GNNDDEM 	C28H43N9O16S	793.2549	NA	PeJP	NA	NA
+PJ036593	GSCEMMH 	C29H47N9O11S3	793.2557	NA	PeJP	NA	NA
+PJ036594	VTCCCEH 	C29H47N9O11S3	793.2558	NA	PeJP	NA	NA
+PJ036595	GCCYYW 	C37H43N7O9S2	793.2564	NA	PeJP	NA	NA
+PJ036596	GSSCDYY 	C33H43N7O14S	793.2589	NA	PeJP	NA	NA
+PJ036597	CCQMFY 	C34H47N7O9S3	793.2598	NA	PeJP	NA	NA
+PJ036598	GSDEEEE 	C29H43N7O19	793.2614	NA	PeJP	NA	NA
+PJ036599	GPDDEMM 	C30H47N7O14S2	793.2623	NA	PeJP	NA	NA
+PJ036600	GCCNNHF 	C31H43N11O10S2	793.2636	NA	PeJP	NA	NA
+PJ036601	GCNDDDR 	C27H43N11O15S	793.2661	NA	PeJP	NA	NA
+PJ036602	SCCCNKH 	C28H47N11O10S3	793.267	NA	PeJP	NA	NA
+PJ036603	NNDDMW 	C32H43N9O13S	793.2701	NA	PeJP	NA	NA
+PJ036604	GGGGDDMW 	C32H43N9O13S	793.2702	NA	PeJP	NA	NA
+PJ036605	SCMMHW 	C33H47N9O8S3	793.271	NA	PeJP	NA	NA
+PJ036606	SSNNDEE 	C28H43N9O18	793.2726	NA	PeJP	NA	NA
+PJ036607	GGGGSSDEE 	C28H43N9O18	793.2727	NA	PeJP	NA	NA
+PJ036608	SSSDMMH 	C29H47N9O13S2	793.2735	NA	PeJP	NA	NA
+PJ036609	NMMMMH 	C30H51N9O8S4	793.2744	NA	PeJP	NA	NA
+PJ036610	ASCCHHH 	C30H43N13O9S2	793.2748	NA	PeJP	NA	NA
+PJ036611	GTCCHHH 	C30H43N13O9S2	793.2749	NA	PeJP	NA	NA
+PJ036612	SDEEEW 	C33H43N7O16	793.2767	NA	PeJP	NA	NA
+PJ036613	PDDMMW 	C34H47N7O11S2	793.2775	NA	PeJP	NA	NA
+PJ036614	QEEEEM 	C30H47N7O16S	793.28	NA	PeJP	NA	NA
+PJ036615	SPPCEMM 	C31H51N7O11S3	793.2809	NA	PeJP	NA	NA
+PJ036616	GSCNNNW 	C31H43N11O12S	793.2814	NA	PeJP	NA	NA
+PJ036617	GSSSNNND 	C27H43N11O17	793.2839	NA	PeJP	NA	NA
+MJ094584	Clivimine 	C43H43N3O12	793.284673	NA	MeJP	NA	NA
+PJ036618	SPCCNDR 	C28H47N11O12S2	793.2847	NA	PeJP	NA	NA
+PJ036619	GGSPCCDR 	C28H47N11O12S2	793.2848	NA	PeJP	NA	NA
+PJ036620	GCNEWW 	C36H43N9O10S	793.2854	NA	PeJP	NA	NA
+PJ036621	GSSNDEW 	C32H43N9O15	793.2879	NA	PeJP	NA	NA
+PJ036622	GSPCNMW 	C33H47N9O10S2	793.2888	NA	PeJP	NA	NA
+PJ036623	DDEEMR 	C29H47N9O15S	793.2913	NA	PeJP	NA	NA
+PJ036624	PDDDFW 	C37H43N7O13	793.2919	NA	PeJP	NA	NA
+PJ036625	GSTMMMH 	C30H51N9O10S3	793.2921	NA	PeJP	NA	NA
+PJ036626	GGGGGPMMM 	C30H51N9O10S3	793.2922	NA	PeJP	NA	NA
+PJ036627	SSSCHHH 	C30H43N13O11S	793.2926	NA	PeJP	NA	NA
+PJ036628	CCQFFF 	C38H47N7O8S2	793.2928	NA	PeJP	NA	NA
+MJ094585	Capensolactone 3 	C41H47NO15	793.294569	NA	MeJP	NA	NA
+PJ036629	AEEEMW 	C34H47N7O13S	793.2953	NA	PeJP	NA	NA
+PJ036630	GCCNNQR 	C27H47N13O11S2	793.296	NA	PeJP	NA	NA
+PJ036631	CCKMFY 	C35H51N7O8S3	793.2962	NA	PeJP	NA	NA
+PJ036632	PCDHHW 	C35H43N11O9S	793.2966	NA	PeJP	NA	NA
+PJ036633	GTTEEEE 	C30H47N7O18	793.2978	NA	PeJP	NA	NA
+PJ036634	GPTEEMM 	C31H51N7O13S2	793.2987	NA	PeJP	NA	NA
+PJ036635	GNNNNDF 	C31H43N11O14	793.2991	NA	PeJP	NA	NA
+PJ036636	GGGGGGGNDF 	C31H43N11O14	793.2992	NA	PeJP	NA	NA
+PJ036637	GPPMMMM 	C32H55N7O8S4	793.2995	NA	PeJP	NA	NA
+PJ036638	CCEHFR 	C32H47N11O9S2	793.3	NA	PeJP	NA	NA
+PJ036639	CNWWW 	C40H43N9O7S	793.3006	NA	PeJP	NA	NA
+PJ036640	GGCWWW 	C40H43N9O7S	793.3007	NA	PeJP	NA	NA
+PJ036641	GSNDDMR 	C28H47N11O14S	793.3025	NA	PeJP	NA	NA
+PJ036642	SSNDWW 	C36H43N9O12	793.3031	NA	PeJP	NA	NA
+PJ036643	GGSSDWW 	C36H43N9O12	793.3032	NA	PeJP	NA	NA
+PJ036644	GPCCQMR 	C29H51N11O9S3	793.3034	NA	PeJP	NA	NA
+PJ036645	ACMHFW 	C37H47N9O7S2	793.304	NA	PeJP	NA	NA
+PJ036646	SNQEMW 	C33H47N9O12S	793.3065	NA	PeJP	NA	NA
+PJ036647	CNHHHF 	C34H43N13O8S	793.3079	NA	PeJP	NA	NA
+PJ036648	SSSQQEE 	C29H47N9O17	793.309	NA	PeJP	NA	NA
+PJ036649	SSTTMMH 	C30H51N9O12S2	793.3099	NA	PeJP	NA	NA
+PJ036650	DDDHHR 	C30H43N13O13	793.3104	NA	PeJP	NA	NA
+PJ036651	PPCEYW 	C38H47N7O10S	793.3105	NA	PeJP	NA	NA
+PJ036652	TTEEEW 	C34H47N7O15	793.313	NA	PeJP	NA	NA
+PJ036653	GAPEEEY 	C34H47N7O15	793.3131	NA	PeJP	NA	NA
+PJ036654	SSCNNNR 	C27H47N13O13S	793.3137	NA	PeJP	NA	NA
+PJ036655	GGGGGGSSCR 	C27H47N13O13S	793.3138	NA	PeJP	NA	NA
+PJ036656	PTEMMW 	C35H51N7O10S2	793.3139	NA	PeJP	NA	NA
+PJ036657	GEEHHW 	C35H43N11O11	793.3144	NA	PeJP	NA	NA
+PJ036658	GPCCCRR 	C28H51N13O8S3	793.3146	NA	PeJP	NA	NA
+PJ036659	KEEEEM 	C31H51N7O15S	793.3164	NA	PeJP	NA	NA
+PJ036660	GPVEMMM 	C32H55N7O10S3	793.3173	NA	PeJP	NA	NA
+PJ036661	SCNERW 	C32H47N11O11S	793.3177	NA	PeJP	NA	NA
+PJ036662	GGSCERW 	C32H47N11O11S	793.3178	NA	PeJP	NA	NA
+PJ036663	SSTNDDR 	C28H47N11O16	793.3202	NA	PeJP	NA	NA
+PJ036664	SSSNDER 	C28H47N11O16	793.3203	NA	PeJP	NA	NA
+PJ036665	NNEMMR 	C29H51N11O11S2	793.3211	NA	PeJP	NA	NA
+PJ036666	GGGGGGACKM 	C29H51N11O11S2	793.3212	NA	PeJP	NA	NA
+PJ036667	GSQMWW 	C37H47N9O9S	793.3218	NA	PeJP	NA	NA
+PJ036668	GSSTQEW 	C33H47N9O14	793.3243	NA	PeJP	NA	NA
+PJ036669	AQQMMW 	C34H51N9O9S2	793.3251	NA	PeJP	NA	NA
+PJ036670	GGVNMMW 	C34H51N9O9S2	793.3252	NA	PeJP	NA	NA
+PJ036671	SNNHHW 	C34H43N13O10	793.3256	NA	PeJP	NA	NA
+PJ036672	TEEEMR 	C30H51N9O14S	793.3276	NA	PeJP	NA	NA
+PJ036673	GGGSKEEM 	C30H51N9O14S	793.3277	NA	PeJP	NA	NA
+PJ036674	APEEYW 	C38H47N7O12	793.3283	NA	PeJP	NA	NA
+PJ036675	PEMMMR 	C31H55N9O9S3	793.3285	NA	PeJP	NA	NA
+PJ036676	NQQMHH 	C31H47N13O10S	793.329	NA	PeJP	NA	NA
+PJ036677	CCKFFF 	C39H51N7O7S2	793.3292	NA	PeJP	NA	NA
+PJ036678	EHHWW 	C39H43N11O8	793.3296	NA	PeJP	NA	NA
+PJ036679	SLEEMW 	C35H51N7O12S	793.3317	NA	PeJP	NA	NA
+PJ036680	CNDMRR 	C28H51N13O10S2	793.3324	NA	PeJP	NA	NA
+PJ036681	PVMMMW 	C36H55N7O7S3	793.3325	NA	PeJP	NA	NA
+PJ036682	GSCRWW 	C36H47N11O8S	793.333	NA	PeJP	NA	NA
+PJ036683	SSTLEEE 	C31H51N7O17	793.3342	NA	PeJP	NA	NA
+PJ036684	GVVEEMM 	C32H55N7O12S2	793.335	NA	PeJP	NA	NA
+PJ036685	AALEEMM 	C32H55N7O12S2	793.3351	NA	PeJP	NA	NA
+PJ036686	GSSSDRW 	C32H47N11O13	793.3355	NA	PeJP	NA	NA
+PJ036687	GNMMRW 	C33H51N11O8S2	793.3364	NA	PeJP	NA	NA
+CJneg0654	Phenylacetylglutamine [(3M-H)]- (13C)	C3813CH47N6O12	793.336925	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0654	Phenylacetylglutamine [(3M-H)]- (13C)	C3813CH47N6O12	793.336925	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ036688	GSSQEMR 	C29H51N11O13S	793.3389	NA	PeJP	NA	NA
+PJ036689	SSTQWW 	C37H47N9O11	793.3395	NA	PeJP	NA	NA
+PJ036690	GGGAAEFW 	C37H47N9O11	793.3396	NA	PeJP	NA	NA
+PJ036691	GPCCKMR 	C30H55N11O8S3	793.3398	NA	PeJP	NA	NA
+PJ036692	CNQHHR 	C30H47N15O9S	793.3402	NA	PeJP	NA	NA
+PJ036693	SNKEMW 	C34H51N9O11S	793.3429	NA	PeJP	NA	NA
+PJ036694	GNFFFY 	C42H47N7O9	793.3436	NA	PeJP	NA	NA
+PJ036695	SSSQKEE 	C30H51N9O16	793.3454	NA	PeJP	NA	NA
+PJ036696	VEEMMR 	C31H55N9O11S2	793.3463	NA	PeJP	NA	NA
+PJ036697	NNNNRY 	C31H47N13O12	793.3467	NA	PeJP	NA	NA
+PJ036698	GGGGNNRY 	C31H47N13O12	793.3468	NA	PeJP	NA	NA
+PJ036699	PPTMYW 	C39H51N7O9S	793.3469	NA	PeJP	NA	NA
+PJ036700	ACCRRW 	C32H51N13O7S2	793.3476	NA	PeJP	NA	NA
+PJ036701	PKEEEY 	C35H51N7O14	793.3494	NA	PeJP	NA	NA
+PJ036702	GSSCERR 	C28H51N13O12S	793.3501	NA	PeJP	NA	NA
+PJ036703	VVEMMW 	C36H55N7O9S2	793.3503	NA	PeJP	NA	NA
+PJ036704	GNDFRW 	C36H47N11O10	793.3508	NA	PeJP	NA	NA
+PJ036705	ATTLEEM 	C32H55N7O14S	793.3528	NA	PeJP	NA	NA
+PJ036706	APTLMMM 	C33H59N7O9S3	793.3537	NA	PeJP	NA	NA
+PJ036707	SSQMRW 	C33H51N11O10S	793.3541	NA	PeJP	NA	NA
+PJ036708	GGGGPMRY 	C33H51N11O10S	793.3542	NA	PeJP	NA	NA
+PJ036709	QQFWW 	C41H47N9O8	793.3548	NA	PeJP	NA	NA
+PJ036710	SSSTQER 	C29H51N11O15	793.3566	NA	PeJP	NA	NA
+PJ036711	GGGGGSSSTK 	C29H51N11O15	793.3567	NA	PeJP	NA	NA
+PJ036712	NDKMMR 	C30H55N11O10S2	793.3575	NA	PeJP	NA	NA
+PJ036713	GSSNHHR 	C30H47N15O11	793.358	NA	PeJP	NA	NA
+PJ036714	GSKMWW 	C38H51N9O8S	793.3582	NA	PeJP	NA	NA
+PJ036715	SSSSLQW 	C34H51N9O13	793.3606	NA	PeJP	NA	NA
+PJ036716	GSSTKEW 	C34H51N9O13	793.3607	NA	PeJP	NA	NA
+PJ036717	AQKMMW 	C35H55N9O8S2	793.3615	NA	PeJP	NA	NA
+PJ036718	GSDKKEM 	C31H55N9O13S	793.364	NA	PeJP	NA	NA
+PJ036719	SPLEYW 	C39H51N7O11	793.3647	NA	PeJP	NA	NA
+PJ036720	GPCKKMM 	C32H59N9O8S3	793.3649	NA	PeJP	NA	NA
+PJ036721	SSCRRW 	C32H51N13O9S	793.3654	NA	PeJP	NA	NA
+PJ036722	APHHFW 	C40H47N11O7	793.366	NA	PeJP	NA	NA
+PJ036723	SSSSDRR 	C28H51N13O14	793.3679	NA	PeJP	NA	NA
+PJ036724	SSPPLMY 	C36H55N7O11S	793.368	NA	PeJP	NA	NA
+PJ036725	AAPLEMY 	C36H55N7O11S	793.3681	NA	PeJP	NA	NA
+PJ036726	SNMMRR 	C29H55N13O9S2	793.3687	NA	PeJP	NA	NA
+PJ036727	GGSMMRR 	C29H55N13O9S2	793.3688	NA	PeJP	NA	NA
+PJ036728	ALMHHW 	C37H51N11O7S	793.3694	NA	PeJP	NA	NA
+PJ036729	TTTTLEE 	C32H55N7O16	793.3705	NA	PeJP	NA	NA
+PJ036730	GTLLEMM 	C33H59N7O11S2	793.3714	NA	PeJP	NA	NA
+PJ036731	GSSTTRW 	C33H51N11O12	793.3719	NA	PeJP	NA	NA
+PJ036732	ACKMRW 	C34H55N11O7S2	793.3728	NA	PeJP	NA	NA
+PJ036733	VQHHHH 	C34H47N15O8	793.3732	NA	PeJP	NA	NA
+PJ036734	GGLHHHH 	C34H47N15O8	793.3733	NA	PeJP	NA	NA
+PJ036735	GSSKEMR 	C30H55N11O12S	793.3753	NA	PeJP	NA	NA
+PJ036736	SSTKWW 	C38H51N9O10	793.3759	NA	PeJP	NA	NA
+PJ036737	CNKHHR 	C31H51N15O8S	793.3766	NA	PeJP	NA	NA
+PJ036738	SDKKMW 	C35H55N9O10S	793.3793	NA	PeJP	NA	NA
+PJ036739	PPTFFW 	C43H51N7O8	793.3799	NA	PeJP	NA	NA
+PJ036740	TCCRRR 	C28H55N15O8S2	793.38	NA	PeJP	NA	NA
+PJ036741	SSSKKEE 	C31H55N9O15	793.3818	NA	PeJP	NA	NA
+PJ036742	QKKEMM 	C32H59N9O10S2	793.3827	NA	PeJP	NA	NA
+PJ036743	GNERRY 	C32H51N13O11	793.3831	NA	PeJP	NA	NA
+PJ036744	GGAAPEHR 	C32H51N13O11	793.3832	NA	PeJP	NA	NA
+PJ036745	PVVMYW 	C40H55N7O8S	793.3833	NA	PeJP	NA	NA
+PJ036746	AHHHHR 	C33H47N17O7	793.3845	NA	PeJP	NA	NA
+PJ036747	LLQEEY 	C36H55N7O13	793.3858	NA	PeJP	NA	NA
+PJ036748	GSSTMRR 	C29H55N13O11S	793.3865	NA	PeJP	NA	NA
+PJ036749	TLLMMW 	C37H59N7O8S2	793.3867	NA	PeJP	NA	NA
+PJ036750	STHFFR 	C37H51N11O9	793.3871	NA	PeJP	NA	NA
+PJ036751	AAQRYW 	C37H51N11O9	793.3872	NA	PeJP	NA	NA
+PJ036752	STTLLEM 	C33H59N7O13S	793.3892	NA	PeJP	NA	NA
+PJ036753	GVLLMMM 	C34H63N7O8S3	793.3901	NA	PeJP	NA	NA
+PJ036754	SSKMRW 	C34H55N11O9S	793.3905	NA	PeJP	NA	NA
+PJ036755	QKFWW 	C42H51N9O7	793.3912	NA	PeJP	NA	NA
+PJ036756	SSSTKER 	C30H55N11O14	793.393	NA	PeJP	NA	NA
+PJ036757	TQKMMR 	C31H59N11O9S2	793.3939	NA	PeJP	NA	NA
+PJ036758	PNDHRR 	C31H51N15O10	793.3944	NA	PeJP	NA	NA
+PJ036759	PPMFFR 	C39H55N9O7S	793.3946	NA	PeJP	NA	NA
+PJ036760	SSSSLKW 	C35H55N9O12	793.397	NA	PeJP	NA	NA
+PJ036761	VVEERY 	C35H55N9O12	793.3971	NA	PeJP	NA	NA
+PJ036762	AKKMMW 	C36H59N9O7S2	793.3979	NA	PeJP	NA	NA
+PJ036763	NRRYW 	C36H51N13O8	793.3984	NA	PeJP	NA	NA
+PJ036764	GTTKKEM 	C32H59N9O12S	793.4004	NA	PeJP	NA	NA
+PJ036765	ALLEYW 	C40H55N7O10	793.4011	NA	PeJP	NA	NA
+PJ036766	LLMMMR 	C33H63N9O7S3	793.4013	NA	PeJP	NA	NA
+PJ036767	GQMFRR 	C33H55N13O8S	793.4018	NA	PeJP	NA	NA
+PJ036768	SSSTTRR 	C29H55N13O13	793.4042	NA	PeJP	NA	NA
+PJ036769	GPTLLMY 	C37H59N7O10S	793.4044	NA	PeJP	NA	NA
+PJ036770	GVVLEMF 	C37H59N7O10S	793.4045	NA	PeJP	NA	NA
+PJ036771	TCKMRR 	C30H59N13O8S2	793.4051	NA	PeJP	NA	NA
+PJ036772	SSLLLMM 	C34H63N7O10S2	793.4078	NA	PeJP	NA	NA
+PJ036773	AQKERY 	C34H55N11O11	793.4083	NA	PeJP	NA	NA
+PJ036774	VKHHHH 	C35H51N15O7	793.4096	NA	PeJP	NA	NA
+PJ036775	GTTTKMR 	C31H59N11O11S	793.4116	NA	PeJP	NA	NA
+PJ036776	GGSSCKKK 	C31H59N11O11S	793.4117	NA	PeJP	NA	NA
+PJ036777	GLQKYW 	C39H55N9O9	793.4123	NA	PeJP	NA	NA
+PJ036778	GCFRRR 	C32H55N15O7S	793.413	NA	PeJP	NA	NA
+PJ036779	TTKKMW 	C36H59N9O9S	793.4157	NA	PeJP	NA	NA
+PJ036780	PVVFFW 	C44H55N7O7	793.4163	NA	PeJP	NA	NA
+PJ036781	STTTKKE 	C32H59N9O14	793.4182	NA	PeJP	NA	NA
+PJ036782	ASVKKMM 	C33H63N9O9S2	793.419	NA	PeJP	NA	NA
+PJ036783	KKKEMM 	C33H63N9O9S2	793.4191	NA	PeJP	NA	NA
+PJ036784	GDKRRY 	C33H55N13O10	793.4195	NA	PeJP	NA	NA
+PJ036785	VVLMFW 	C41H59N7O7S	793.4197	NA	PeJP	NA	NA
+PJ036786	LLKEEY 	C37H59N7O12	793.4222	NA	PeJP	NA	NA
+PJ036787	AAKRYW 	C38H55N11O8	793.4235	NA	PeJP	NA	NA
+PJ036788	GGPLKHW 	C38H55N11O8	793.4236	NA	PeJP	NA	NA
+MJ094586	Germine; O3-(2S,3R)-2-Hydroxy-2-methyl-3-acetoxybutanoyl, O15-(R)-2-methylbutanoyl, O7-Ac 	C41H63NO14	793.424855	NA	MeJP	NA	NA
+MJ094587	Protoverine; O6,O7-Di-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-2-hydroxy-2-methylbutanoyl 	C41H63NO14	793.424855	NA	MeJP	NA	NA
+C10815	Protoveratrine A	C41H63NO14	793.4249	NA	KEGG	NA	NA
+PJ036789	PCKKRY 	C35H59N11O8S	793.4269	NA	PeJP	NA	NA
+PJ036790	KKFWW 	C43H55N9O6	793.4276	NA	PeJP	NA	NA
+PJ036791	STTTTKR 	C31H59N11O13	793.4294	NA	PeJP	NA	NA
+PJ036792	TKKMMR 	C32H63N11O8S2	793.4303	NA	PeJP	NA	NA
+PJ036793	GSRRRY 	C32H55N15O9	793.4308	NA	PeJP	NA	NA
+PJ036794	TLLERY 	C36H59N9O11	793.4334	NA	PeJP	NA	NA
+PJ036795	GGPPPLKE 	C36H59N9O11	793.4335	NA	PeJP	NA	NA
+PJ036796	APKHRW 	C37H55N13O7	793.4348	NA	PeJP	NA	NA
+PJ036797	SSTLKKM 	C33H63N9O11S	793.4368	NA	PeJP	NA	NA
+MJ094588	Anabaenopeptin J 	C41H59N7O9	793.437426	NA	MeJP	NA	NA
+PJ036798	SLLLYW 	C41H59N7O9	793.4375	NA	PeJP	NA	NA
+PJ036799	GKMFRR 	C34H59N13O7S	793.4382	NA	PeJP	NA	NA
+PJ036800	AALLLMY 	C38H63N7O9S	793.4408	NA	PeJP	NA	NA
+PJ036801	AKKERY 	C35H59N11O10	793.4447	NA	PeJP	NA	NA
+MJ094589	Candihexin; Candihexin E 	C38H67NO16	793.445985	NA	MeJP	NA	NA
+C15762	Onnamide A	C39H63N5O12	793.4473	NA	KEGG	NA	NA
+PJ036802	GLKKYW 	C40H59N9O8	793.4487	NA	PeJP	NA	NA
+PJ036803	VLLMRY 	C37H63N9O8S	793.4521	NA	PeJP	NA	NA
+PJ036804	ATKRRY 	C34H59N13O9	793.4559	NA	PeJP	NA	NA
+2624	synthetic fr,of human beta-CN (62-68) ACE inhibitor	LPQNILP	793.4569	NA	Inhouse_peptide	NA	peptide
+PJ036805	ATTLLLY 	C38H63N7O11	793.4586	NA	PeJP	NA	NA
+PJ036806	PVKKHW 	C39H59N11O7	793.4599	NA	PeJP	NA	NA
+MJ094590	Kulolide 1 	C43H63N5O9	793.462578	NA	MeJP	NA	NA
+PJ036807	CLKKFR 	C36H63N11O7S	793.4633	NA	PeJP	NA	NA
+PJ036808	PTKHRR 	C33H59N15O8	793.4671	NA	PeJP	NA	NA
+PJ036809	VKKKEY 	C37H63N9O10	793.4698	NA	PeJP	NA	NA
+PJ036810	AALLLFF 	C42H63N7O8	793.4739	NA	PeJP	NA	NA
+PJ036811	GLHRRR 	C32H59N17O7	793.4784	NA	PeJP	NA	NA
+PJ036812	SLKKRY 	C36H63N11O9	793.4811	NA	PeJP	NA	NA
+PJ036813	LLLLHW 	C41H63N9O7	793.4851	NA	PeJP	NA	NA
+PJ036814	LKKKMF 	C38H67N9O7S	793.4884	NA	PeJP	NA	NA
+PJ036815	GPPVLRR 	C35H63N13O8	793.4923	NA	PeJP	NA	NA
+PJ036816	PPLLLLE 	C39H67N7O10	793.495	NA	PeJP	NA	NA
+PJ036817	PPLRRR 	C34H63N15O7	793.5035	NA	PeJP	NA	NA
+PJ036818	SVLLLLH 	C38H67N9O9	793.5062	NA	PeJP	NA	NA
+PJ036819	APPLLKR 	C37H67N11O8	793.5174	NA	PeJP	NA	NA
+PJ036820	LLKKHR 	C36H67N13O7	793.5287	NA	PeJP	NA	NA
+PJ036821	PPVLLKK 	C39H71N9O8	793.5426	NA	PeJP	NA	NA
+HMDB07956	PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB07957	PC(15:0/22:5(7Z,10Z,13Z,16Z,19Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB08658	PC(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB08691	PC(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09010	PE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09011	PE(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09042	PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09075	PE(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09140	PE(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09173	PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09205	PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09236	PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09267	PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09268	PE(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09298	PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09299	PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09330	PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09363	PE(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09395	PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09428	PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09460	PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09525	PE(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09556	PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09557	PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09586	PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09587	PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09618	PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+HMDB09651	PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	C45H80NO8P	793.562134	NA	HMDB2010	NA	NA
+EUR1001	PC 38:5 [M-H-CH3]-	C46H82NO8P	793.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1001	PC 38:5 [M-H-CH3]-	C46H82NO8P	793.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1001	PC 38:5 [M-H-CH3]-	C46H82NO8P	793.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1001	PC 38:5 [M-H-CH3]-	C46H82NO8P	793.562157	masses lipides attendues	Inhousejuil11	NA	NA
+PJ036822	PLLLLLL 	C41H75N7O8	793.5677	NA	PeJP	NA	NA
+PJ036823	PILLLLL 	C41H75N7O8	793.5678	NA	PeJP	NA	NA
+HMDB08392	PC(20:3(5Z,8Z,11Z)/P-18:1(11Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB08393	PC(20:3(5Z,8Z,11Z)/P-18:1(9Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB08424	PC(20:3(8Z,11Z,14Z)/P-18:1(11Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB08425	PC(20:3(8Z,11Z,14Z)/P-18:1(9Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB08456	PC(20:4(5Z,8Z,11Z,14Z)/P-18:0)	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB08489	PC(20:4(8Z,11Z,14Z,17Z)/P-18:0)	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB08652	PC(22:4(7Z,10Z,13Z,16Z)/P-16:0)	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11226	PC(P-16:0/22:4(7Z,10Z,13Z,16Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11253	PC(P-18:0/20:4(5Z,8Z,11Z,14Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11254	PC(P-18:0/20:4(8Z,11Z,14Z,17Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11284	PC(P-18:1(11Z)/20:3(5Z,8Z,11Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11285	PC(P-18:1(11Z)/20:3(8Z,11Z,14Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11317	PC(P-18:1(9Z)/20:3(5Z,8Z,11Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11318	PC(P-18:1(9Z)/20:3(8Z,11Z,14Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB11450	PE(P-18:1(9Z)/20:3(8Z,11Z,14Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+HMDB13432	PC(o-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C46H84NO7P	793.598511	NA	HMDB2010	NA	NA
+MJ094591	Hexafuhalol A 	C36H26O21	794.096657	NA	MeJP	NA	NA
+MJ094592	Hexafuhalol B 	C36H26O21	794.096657	NA	MeJP	NA	NA
+MJ094593	Pseudohexafuhalol A 	C36H26O21	794.096657	NA	MeJP	NA	NA
+MJ094594	Pseudohexafuhalol B 	C36H26O21	794.096657	NA	MeJP	NA	NA
+MJ094595	Pseudohexafuhalol C 	C36H26O21	794.096657	NA	MeJP	NA	NA
+HMDB06858	Acyl-CoA	C22H35N7O17P3S	794.10229	http://www.hmdb.ca/metabolites/HMDB06858	HMDB	NA	NA
+HMDB06858	Acyl-CoA	C22H35N7O17P3S	794.10229	HMDB06858	PFEM_hmdb_metabocards_official	NA	NA
+PJ036824	GTCCCCCC 	C24H42N8O10S6	794.1349	NA	PeJP	NA	NA
+PJ036825	SSSCCCCC 	C24H42N8O12S5	794.1526	NA	PeJP	NA	NA
+PJ036826	CCCCCNF 	C28H42N8O9S5	794.1679	NA	PeJP	NA	NA
+PJ036827	SCCCCNY 	C28H42N8O11S4	794.1856	NA	PeJP	NA	NA
+FL5FAGGS0036	Myricetin 3-(3'''-6'''-diacetylglucosyl)-(1->4)-(2'',3''-diacetylrhamnoside)	C35H38O21	794.19055	-	knapsack	NA	NA
+PJ036828	SCCCNEH 	C27H42N10O12S3	794.2146	NA	PeJP	NA	NA
+PJ036829	SNDDDDD 	C27H38N8O20	794.2203	NA	PeJP	NA	NA
+PJ036830	PCCNDDE 	C28H42N8O15S2	794.2211	NA	PeJP	NA	NA
+PJ036831	GGPCCDDE 	C28H42N8O15S2	794.2212	NA	PeJP	NA	NA
+PJ036832	CCDEYY 	C33H42N6O13S2	794.2252	NA	PeJP	NA	NA
+MJ094596	1,2,4-Benzenetriol; 2-Me ether, 1-O-[4-hydroxy-3-methoxybenzoyl-(?6)-?-D-glucopyranoside], 4-O-[4-hydroxy-3,5-dimethoxybenzoyl-(?6)-?-D-glucopyranoside] 	C36H42O20	794.226943	NA	MeJP	NA	NA
+MJ094597	Plumieride; 13-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxycinnamoyl] 	C36H42O20	794.226943	NA	MeJP	NA	NA
+PJ036833	GSCCCHW 	C31H42N10O9S3	794.2299	NA	PeJP	NA	NA
+PJ036834	GSSSCCDH 	C27H42N10O14S2	794.2324	NA	PeJP	NA	NA
+PJ036835	GCCNMMH 	C28H46N10O9S4	794.2332	NA	PeJP	NA	NA
+PJ036836	GGGCCMMH 	C28H46N10O9S4	794.2333	NA	PeJP	NA	NA
+PJ036837	GPCCDDW 	C32H42N8O12S2	794.2364	NA	PeJP	NA	NA
+PJ036838	GNDDDEM 	C28H42N8O17S	794.2389	NA	PeJP	NA	NA
+PJ036839	GSPPCCCE 	C29H46N8O12S3	794.2398	NA	PeJP	NA	NA
+PJ036840	CCNNNNN 	C26H42N12O13S2	794.2436	NA	PeJP	NA	NA
+PJ036841	CCEMFY 	C34H46N6O10S3	794.2438	NA	PeJP	NA	NA
+PJ036842	ACCCCHR 	C27H46N12O8S4	794.2445	NA	PeJP	NA	NA
+PJ036843	GCCNDHF 	C31H42N10O11S2	794.2476	NA	PeJP	NA	NA
+PJ036844	GCDDDDR 	C27H42N10O16S	794.2501	NA	PeJP	NA	NA
+PJ036845	GGGGGGSCDE 	C27H42N10O16S	794.2502	NA	PeJP	NA	NA
+PJ036846	SSCCQMH 	C28H46N10O11S3	794.251	NA	PeJP	NA	NA
+PJ036847	NDDDMW 	C32H42N8O14S	794.2542	NA	PeJP	NA	NA
+PJ036848	SPPCCCW 	C33H46N8O9S3	794.255	NA	PeJP	NA	NA
+PJ036849	SSNDDEE 	C28H42N8O19	794.2566	NA	PeJP	NA	NA
+PJ036850	GGSSDDEE 	C28H42N8O19	794.2567	NA	PeJP	NA	NA
+PJ036851	SPCNDEM 	C29H46N8O14S2	794.2575	NA	PeJP	NA	NA
+PJ036852	DMMMMH 	C30H50N8O9S4	794.2584	NA	PeJP	NA	NA
+PJ036853	SCEMYY 	C34H46N6O12S2	794.2615	NA	PeJP	NA	NA
+PJ036854	SSCCCHR 	C27H46N12O10S3	794.2622	NA	PeJP	NA	NA
+FL5FAAGI0009	Epimedoside D	C37H46O19	794.26332	39049-18-8	knapsack	NA	NA
+FL5FAAGI0010	Epimedoside E	C37H46O19	794.26332	39049-19-9	knapsack	NA	NA
+MJ094598	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C37H46O19	794.263329	NA	MeJP	NA	NA
+MJ094599	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 7-O-?-D-glucopyranoside 	C37H46O19	794.263329	NA	MeJP	NA	NA
+PJ036855	EEEEEM 	C30H46N6O17S	794.2641	NA	PeJP	NA	NA
+PJ036856	GSCNNDW 	C31H42N10O13S	794.2654	NA	PeJP	NA	NA
+PJ036857	GSSSNNDD 	C27H42N10O18	794.2679	NA	PeJP	NA	NA
+PJ036858	ACCNQQE 	C28H46N10O13S2	794.2687	NA	PeJP	NA	NA
+PJ036859	SPCCDDR 	C28H46N10O13S2	794.2688	NA	PeJP	NA	NA
+PJ036860	GCDEWW 	C36H42N8O11S	794.2694	NA	PeJP	NA	NA
+PJ036861	ACCCKMH 	C29H50N10O8S4	794.2696	NA	PeJP	NA	NA
+PJ036862	GSSDDEW 	C32H42N8O16	794.2719	NA	PeJP	NA	NA
+PJ036863	GSPCDMW 	C33H46N8O11S2	794.2728	NA	PeJP	NA	NA
+PJ036864	GSNEEEM 	C29H46N8O16S	794.2753	NA	PeJP	NA	NA
+PJ036865	GDDYYY 	C37H42N6O14	794.2759	NA	PeJP	NA	NA
+PJ036866	GPNDMMM 	C30H50N8O11S3	794.2761	NA	PeJP	NA	NA
+PJ036867	GGGPDMMM 	C30H50N8O11S3	794.2762	NA	PeJP	NA	NA
+PJ036868	PCCFYY 	C38H46N6O9S2	794.2768	NA	PeJP	NA	NA
+PJ036869	CMMHHH 	C31H46N12O7S3	794.2775	NA	PeJP	NA	NA
+PJ036870	GCCNNER 	C27H46N12O12S2	794.28	NA	PeJP	NA	NA
+PJ036871	GMMMYY 	C35H50N6O9S3	794.2802	NA	PeJP	NA	NA
+PJ036872	GNNNDDF 	C31H42N10O15	794.2831	NA	PeJP	NA	NA
+PJ036873	GGGNNDDF 	C31H42N10O15	794.2832	NA	PeJP	NA	NA
+PJ036874	CNNQMW 	C32H46N10O10S2	794.284	NA	PeJP	NA	NA
+PJ036875	CDWWW 	C40H42N8O8S	794.2847	NA	PeJP	NA	NA
+PJ036876	GSDDDMR 	C28H46N10O15S	794.2865	NA	PeJP	NA	NA
+PJ036877	SSDDWW 	C36H42N8O13	794.2872	NA	PeJP	NA	NA
+PJ036878	GPCCEMR 	C29H50N10O10S3	794.2874	NA	PeJP	NA	NA
+PJ036879	GCNNNHH 	C29H42N14O11S	794.2879	NA	PeJP	NA	NA
+PJ036880	PTCCWW 	C37H46N8O8S2	794.288	NA	PeJP	NA	NA
+PJ036881	SNEEMW 	C33H46N8O13S	794.2905	NA	PeJP	NA	NA
+PJ036882	GGGPDDMF 	C33H46N8O13S	794.2906	NA	PeJP	NA	NA
+PJ036883	PCQMMW 	C34H50N8O8S3	794.2914	NA	PeJP	NA	NA
+PJ036884	CDHHHF 	C34H42N12O9S	794.2919	NA	PeJP	NA	NA
+PJ036885	SSSQEEE 	C29H46N8O18	794.293	NA	PeJP	NA	NA
+PJ036886	QQEEMM 	C30H50N8O13S2	794.2939	NA	PeJP	NA	NA
+PJ036887	GSNDEHH 	C30H42N12O14	794.2944	NA	PeJP	NA	NA
+PJ036888	SPCYYY 	C38H46N6O11S	794.2945	NA	PeJP	NA	NA
+PJ036889	GDMFYY 	C38H46N6O11S	794.2946	NA	PeJP	NA	NA
+PJ036890	CCNNRW 	C31H46N12O9S2	794.2952	NA	PeJP	NA	NA
+PJ036891	GGCCNRW 	C31H46N12O9S2	794.2953	NA	PeJP	NA	NA
+PJ036892	PEEEEY 	C34H46N6O16	794.2971	NA	PeJP	NA	NA
+PJ036893	SSCNNDR 	C27H46N12O14S	794.2977	NA	PeJP	NA	NA
+PJ036894	GGSSCNDR 	C27H46N12O14S	794.2978	NA	PeJP	NA	NA
+PJ036895	STMMYY 	C35H50N6O11S2	794.2979	NA	PeJP	NA	NA
+PJ036896	SCDERW 	C32H46N10O12S	794.3018	NA	PeJP	NA	NA
+PJ036897	PCCMRW 	C33H50N10O7S3	794.3026	NA	PeJP	NA	NA
+PJ036898	SSSDDER 	C28H46N10O17	794.3043	NA	PeJP	NA	NA
+PJ036899	NDEMMR 	C29H50N10O12S2	794.3051	NA	PeJP	NA	NA
+PJ036900	GGGGGTQMM 	C29H50N10O12S2	794.3052	NA	PeJP	NA	NA
+PJ036901	GSEMWW 	C37H46N8O10S	794.3058	NA	PeJP	NA	NA
+PJ036902	GSSTEEW 	C33H46N8O15	794.3083	NA	PeJP	NA	NA
+MJ094600	Dracoflavan A 	C49H46O10	794.309097	NA	MeJP	NA	NA
+PJ036903	AQEMMW 	C34H50N8O10S2	794.3092	NA	PeJP	NA	NA
+PJ036904	SNDHHW 	C34H42N12O11	794.3096	NA	PeJP	NA	NA
+PJ036905	GSDKEEM 	C30H50N8O15S	794.3117	NA	PeJP	NA	NA
+PJ036906	GTEYYY 	C38H46N6O13	794.3123	NA	PeJP	NA	NA
+PJ036907	GPTQMMM 	C31H54N8O10S3	794.3125	NA	PeJP	NA	NA
+PJ036908	NQEMHH 	C31H46N12O11S	794.313	NA	PeJP	NA	NA
+PJ036909	GMMFFY 	C39H50N6O8S2	794.3132	NA	PeJP	NA	NA
+PJ036910	CDDMRR 	C28H50N12O11S2	794.3164	NA	PeJP	NA	NA
+PJ036911	CNQHFF 	C36H46N10O9S	794.317	NA	PeJP	NA	NA
+PJ036912	SSSSNQW 	C32H46N10O14	794.3195	NA	PeJP	NA	NA
+PJ036913	GGGGGGAAEY 	C32H46N10O14	794.3196	NA	PeJP	NA	NA
+PJ036914	GDMMRW 	C33H50N10O9S2	794.3204	NA	PeJP	NA	NA
+PJ036915	SMWWW 	C41H46N8O7S	794.321	NA	PeJP	NA	NA
+PJ036916	GPCFWW 	C41H46N8O7S	794.3211	NA	PeJP	NA	NA
+PJ036917	GSSEEMR 	C29H50N10O14S	794.3229	NA	PeJP	NA	NA
+PJ036918	SSTEWW 	C37H46N8O12	794.3235	NA	PeJP	NA	NA
+PJ036919	GGSPEYW 	C37H46N8O12	794.3236	NA	PeJP	NA	NA
+PJ036920	GPTCMMR 	C30H54N10O9S3	794.3238	NA	PeJP	NA	NA
+PJ036921	CNEHHR 	C30H46N14O10S	794.3242	NA	PeJP	NA	NA
+MJ094601	Patellamide G 	C38H50N8O7S2	794.324387	NA	MeJP	NA	NA
+PJ036922	AAMMWW 	C38H50N8O7S2	794.3244	NA	PeJP	NA	NA
+PJ036923	SDKEMW 	C34H50N8O12S	794.3269	NA	PeJP	NA	NA
+PJ036924	TYYYW 	C42H46N6O10	794.3276	NA	PeJP	NA	NA
+PJ036925	PCKMMW 	C35H54N8O7S3	794.3278	NA	PeJP	NA	NA
+PJ036926	GQMHHW 	C35H46N12O8S	794.3283	NA	PeJP	NA	NA
+PJ036927	SSSKEEE 	C30H50N8O17	794.3294	NA	PeJP	NA	NA
+PJ036928	QKEEMM 	C31H54N8O12S2	794.3303	NA	PeJP	NA	NA
+PJ036929	NNNDRY 	C31H46N12O13	794.3308	NA	PeJP	NA	NA
+PJ036930	GVMYYY 	C39H50N6O10S	794.3309	NA	PeJP	NA	NA
+PJ036931	APCCKHH 	C32H50N12O8S2	794.3316	NA	PeJP	NA	NA
+PJ036932	NNHHHH 	C32H42N16O9	794.3321	NA	PeJP	NA	NA
+PJ036933	LEEEEF 	C35H50N6O15	794.3335	NA	PeJP	NA	NA
+PJ036934	SSSNNMR 	C28H50N12O13S	794.3341	NA	PeJP	NA	NA
+PJ036935	GNQQYW 	C36H46N10O11	794.3348	NA	PeJP	NA	NA
+CJneg0655	Phenylacetylglutamine [(3M-H)]- (18O)	C39H47N6O1118O	794.337825	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0655	Phenylacetylglutamine [(3M-H)]- (18O)	C39H47N6O1118O	794.337825	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ036936	SSEMRW 	C33H50N10O11S	794.3381	NA	PeJP	NA	NA
+PJ036937	TTCERW 	C33H50N10O11S	794.3382	NA	PeJP	NA	NA
+PJ036938	GSPYWW 	C41H46N8O9	794.3388	NA	PeJP	NA	NA
+PJ036939	GCHHRW 	C34H46N14O7S	794.3395	NA	PeJP	NA	NA
+PJ036940	SSSTEER 	C29H50N10O16	794.3406	NA	PeJP	NA	NA
+PJ036941	GSSSSNKE 	C29H50N10O16	794.3407	NA	PeJP	NA	NA
+PJ036942	TQEMMR 	C30H54N10O11S2	794.3415	NA	PeJP	NA	NA
+PJ036943	GSSDHHR 	C30H46N14O12	794.342	NA	PeJP	NA	NA
+PJ036944	ATTMWW 	C38H50N8O9S	794.3422	NA	PeJP	NA	NA
+PJ036945	SSSSLEW 	C34H50N8O14	794.3447	NA	PeJP	NA	NA
+PJ036946	SLQMMW 	C35H54N8O9S2	794.3455	NA	PeJP	NA	NA
+PJ036947	AKEMMW 	C35H54N8O9S2	794.3456	NA	PeJP	NA	NA
+PJ036948	STQHHW 	C35H46N12O10	794.346	NA	PeJP	NA	NA
+PJ036949	GMFFFF 	C43H50N6O7S	794.3462	NA	PeJP	NA	NA
+PJ036950	GTTKEEM 	C31H54N8O14S	794.348	NA	PeJP	NA	NA
+PJ036951	GGSTTLEM 	C31H54N8O14S	794.3481	NA	PeJP	NA	NA
+PJ036952	SSLYYY 	C39H50N6O12	794.3487	NA	PeJP	NA	NA
+PJ036953	GPTKMMM 	C32H58N8O9S3	794.3489	NA	PeJP	NA	NA
+PJ036954	NNNMFR 	C32H50N12O10S	794.3494	NA	PeJP	NA	NA
+PJ036955	GSSSSSQR 	C28H50N12O15	794.3519	NA	PeJP	NA	NA
+MJ094602	Conophylline 	C44H50N4O10	794.352693	NA	MeJP	NA	NA
+PJ036956	SDMMRR 	C29H54N12O10S2	794.3528	NA	PeJP	NA	NA
+PJ036957	APCRYW 	C37H50N10O8S	794.3534	NA	PeJP	NA	NA
+PJ036958	AFWWW 	C45H46N8O6	794.3541	NA	PeJP	NA	NA
+PJ036959	SSSSNKW 	C33H50N10O13	794.3559	NA	PeJP	NA	NA
+PJ036960	ATMMRW 	C34H54N10O8S2	794.3568	NA	PeJP	NA	NA
+PJ036961	VEHHHH 	C34H46N14O9	794.3573	NA	PeJP	NA	NA
+MJ094603	Ditryptophenaline; N-1'-(2-Phenylethenyl) 	C50H46N6O4	794.358053	NA	MeJP	NA	NA
+PJ036962	GTTTEMR 	C30H54N10O13S	794.3593	NA	PeJP	NA	NA
+PJ036963	TTTTWW 	C38H50N8O11	794.3599	NA	PeJP	NA	NA
+PJ036964	GGAAPEFF 	C38H50N8O11	794.36	NA	PeJP	NA	NA
+PJ036965	VQMMMR 	C31H58N10O8S3	794.3602	NA	PeJP	NA	NA
+PJ036966	SQMHHR 	C31H50N14O9S	794.3606	NA	PeJP	NA	NA
+PJ036967	AHHHFF 	C39H46N12O7	794.3613	NA	PeJP	NA	NA
+PJ036968	TTKEMW 	C35H54N8O11S	794.3633	NA	PeJP	NA	NA
+PJ036969	ATFFFY 	C43H50N6O9	794.3639	NA	PeJP	NA	NA
+PJ036970	GVFFYY 	C43H50N6O9	794.364	NA	PeJP	NA	NA
+PJ036971	PPCHRW 	C36H50N12O7S	794.3647	NA	PeJP	NA	NA
+PJ036972	STTTKEE 	C31H54N8O16	794.3658	NA	PeJP	NA	NA
+PJ036973	KKEEMM 	C32H58N8O11S2	794.3667	NA	PeJP	NA	NA
+PJ036974	ADDRRY 	C32H50N12O12	794.3671	NA	PeJP	NA	NA
+PJ036975	GDERRY 	C32H50N12O12	794.3672	NA	PeJP	NA	NA
+PJ036976	LLEEEY 	C36H54N6O14	794.3698	NA	PeJP	NA	NA
+PJ036977	SSSCQKR 	C29H54N12O12S	794.3705	NA	PeJP	NA	NA
+PJ036978	AAERYW 	C37H50N10O10	794.3712	NA	PeJP	NA	NA
+PJ036979	AMMMRR 	C30H58N12O7S3	794.3714	NA	PeJP	NA	NA
+PJ036980	SCHHRR 	C30H50N16O8S	794.3719	NA	PeJP	NA	NA
+PJ036981	TTTMRW 	C34H54N10O10S	794.3745	NA	PeJP	NA	NA
+PJ036982	GGVEMFR 	C34H54N10O10S	794.3746	NA	PeJP	NA	NA
+PJ036983	LQYWW 	C42H50N8O8	794.3752	NA	PeJP	NA	NA
+MJ094604	Cholest-22-ene-3,6,8,15,24-pentol, 3,24-Di-O-?-D-xylopyranoside, 15-sulfate 	C37H62O16S	794.375856	NA	MeJP	NA	NA
+PJ036984	STTTTER 	C30H54N10O15	794.377	NA	PeJP	NA	NA
+PJ036985	TKEMMR 	C31H58N10O10S2	794.3779	NA	PeJP	NA	NA
+PJ036986	PDDHRR 	C31H50N14O11	794.3784	NA	PeJP	NA	NA
+PJ036987	APKMYW 	C39H54N8O8S	794.3786	NA	PeJP	NA	NA
+PJ036988	SSPTLQY 	C35H54N8O13	794.381	NA	PeJP	NA	NA
+PJ036989	SSTTTLW 	C35H54N8O13	794.3811	NA	PeJP	NA	NA
+PJ036990	SLKMMW 	C36H58N8O8S2	794.3819	NA	PeJP	NA	NA
+PJ036991	DRRYW 	C36H50N12O9	794.3824	NA	PeJP	NA	NA
+PJ036992	SSTLKEM 	C32H58N8O13S	794.3844	NA	PeJP	NA	NA
+PJ036993	AALKMMM 	C33H62N8O8S3	794.3853	NA	PeJP	NA	NA
+PJ036994	PTCRRY 	C33H54N12O9S	794.3858	NA	PeJP	NA	NA
+PJ036995	TFRWW 	C41H50N10O7	794.3864	NA	PeJP	NA	NA
+MJ094605	Rediocide A 	C44H58O13	794.387741	NA	MeJP	NA	NA
+PJ036996	GSSSSSKR 	C29H54N12O14	794.3883	NA	PeJP	NA	NA
+PJ036997	TTMMRR 	C30H58N12O9S2	794.3891	NA	PeJP	NA	NA
+PJ036998	GTCCKKR 	C30H58N12O9S2	794.3892	NA	PeJP	NA	NA
+PJ036999	GVMFRW 	C38H54N10O7S	794.3898	NA	PeJP	NA	NA
+PJ037000	AKEERY 	C34H54N10O12	794.3923	NA	PeJP	NA	NA
+PJ037001	CCKKKW 	C35H58N10O7S2	794.3932	NA	PeJP	NA	NA
+PJ037002	AQHHFR 	C35H50N14O8	794.3936	NA	PeJP	NA	NA
+PJ037003	GAAHHFR 	C35H50N14O8	794.3937	NA	PeJP	NA	NA
+PJ037004	SSTTLMR 	C31H58N10O12S	794.3957	NA	PeJP	NA	NA
+PJ037005	GLKEYW 	C39H54N8O10	794.3963	NA	PeJP	NA	NA
+PJ037006	VKMMMR 	C32H62N10O7S3	794.3965	NA	PeJP	NA	NA
+PJ037007	SKMHHR 	C32H54N14O8S	794.397	NA	PeJP	NA	NA
+MJ094606	Halomicin B 	C43H58N2O12	794.398975	NA	MeJP	NA	NA
+PJ037008	PKKEMY 	C36H58N8O10S	794.3997	NA	PeJP	NA	NA
+PJ037009	MFRRW 	C37H54N12O6S	794.401	NA	PeJP	NA	NA
+PJ037010	SSSSTTLL 	C32H58N8O15	794.4022	NA	PeJP	NA	NA
+PJ037011	ATTLKMM 	C33H62N8O10S2	794.4031	NA	PeJP	NA	NA
+PJ037012	ATERRY 	C33H54N12O11	794.4035	NA	PeJP	NA	NA
+PJ037013	GGGPDKKH 	C33H54N12O11	794.4036	NA	PeJP	NA	NA
+PJ037014	SSSCKKR 	C30H58N12O11S	794.4069	NA	PeJP	NA	NA
+PJ037015	GTLRYW 	C38H54N10O9	794.4076	NA	PeJP	NA	NA
+MJ094607	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H62O15	794.408871	NA	MeJP	NA	NA
+MJ094608	Bryostatin 13 	C41H62O15	794.408871	NA	MeJP	NA	NA
+MJ094609	Glaucogenin A; 3-O-?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside 	C41H62O15	794.408871	NA	MeJP	NA	NA
+MJ094610	Glaucogenin A; 3-O-?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-L-cymaropyranoside 	C41H62O15	794.408871	NA	MeJP	NA	NA
+MJ094611	Glaucogenin C; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-thevetopyranoside] 	C41H62O15	794.408871	NA	MeJP	NA	NA
+MJ094612	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[[2-Carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-(?3)-?-D-glucuronopyranoside] 	C41H62O15	794.408871	NA	MeJP	NA	NA
+PJ037016	PTKMRY 	C35H58N10O9S	794.4109	NA	PeJP	NA	NA
+PJ037017	LKYWW 	C43H54N8O7	794.4116	NA	PeJP	NA	NA
+PJ037018	GSSSTTKK 	C31H58N10O14	794.4134	NA	PeJP	NA	NA
+PJ037019	GTCKKKM 	C32H62N10O9S2	794.4143	NA	PeJP	NA	NA
+PJ037020	PTEHRR 	C32H54N14O10	794.4148	NA	PeJP	NA	NA
+PJ037021	ALKMFW 	C40H58N8O7S	794.415	NA	PeJP	NA	NA
+PJ037022	VKKEEY 	C36H58N8O12	794.4174	NA	PeJP	NA	NA
+PJ037023	GSVLKEY 	C36H58N8O12	794.4175	NA	PeJP	NA	NA
+PJ037024	SPLHRW 	C37H54N12O8	794.4188	NA	PeJP	NA	NA
+PJ037025	TTTTLKM 	C33H62N8O12S	794.4208	NA	PeJP	NA	NA
+PJ037026	GLMRRY 	C34H58N12O8S	794.4222	NA	PeJP	NA	NA
+MJ094613	Leurosidine; 20'-Deoxy 	C46H58N4O8	794.425464	NA	MeJP	NA	NA
+PJ037027	AQQHRR 	C31H54N16O9	794.426	NA	PeJP	NA	NA
+PJ037028	SLKERY 	C35H58N10O11	794.4287	NA	PeJP	NA	NA
+PJ037029	AKHHFR 	C36H54N14O7	794.43	NA	PeJP	NA	NA
+PJ037030	SSSKKKM 	C32H62N10O11S	794.432	NA	PeJP	NA	NA
+PJ037031	SVLKYW 	C40H58N8O9	794.4327	NA	PeJP	NA	NA
+PJ037032	PVMHRR 	C33H58N14O7S	794.4334	NA	PeJP	NA	NA
+MJ094614	Mocimycin; 3'-Deoxy, 1-Me 	C44H62N2O11	794.43536	NA	MeJP	NA	NA
+PJ037033	LLQKMY 	C37H62N8O9S	794.4361	NA	PeJP	NA	NA
+PJ037034	GNHRRR 	C30H54N18O8	794.4372	NA	PeJP	NA	NA
+PJ037035	GGGHRRR 	C30H54N18O8	794.4373	NA	PeJP	NA	NA
+PJ037036	STLRRY 	C34H58N12O10	794.4399	NA	PeJP	NA	NA
+2655	synthetic fr, of human beta-CN (164-170) ACE inhibitor	IPQEVLP	794.44	NA	Inhouse_peptide	NA	peptide
+PJ037037	VLLQHW 	C39H58N10O8	794.4439	NA	PeJP	NA	NA
+PJ037038	GGLLLHW 	C39H58N10O8	794.444	NA	PeJP	NA	NA
+3003	kinases inhibitor	KKYLRRQEAVDAL	794.44495	MH2+	Inhouse_peptide	NA	peptide
+3017	kinases inhibitor	KKALRRQEYVDAL	794.44495	MH2+	Inhouse_peptide	NA	peptide
+3018	kinases inhibitor	KKALRRQEAVDYL	794.44495	MH2+	Inhouse_peptide	NA	peptide
+MJ094615	12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094616	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-L-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094617	3,15-Dihydroxy-12-oleanen-16-one, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094618	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094619	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094620	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-D-Xylopyranoside, 29-O-?-D-glucopyranosyl ester, 28-Me ester 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094621	3-Hydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094622	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-D-Fucopyranoside, 28-?-D-glucopyranosyl ester 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094623	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094624	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094625	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094626	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094627	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094628	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-L-Rhamnopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094629	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-(2-Methylbutanoyl), 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094630	Digoxin; 4'''-Me ether 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094631	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094632	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094633	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094634	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094635	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094636	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094637	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucuronopyranoside] 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094638	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Galacturonopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O14	794.445256	NA	MeJP	NA	NA
+MJ094639	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O14	794.445256	NA	MeJP	NA	NA
+C08984	Spinasaponin A	C42H66O14	794.4453	NA	KEGG	NA	NA
+PJ037039	VVKMRY 	C36H62N10O8S	794.4473	NA	PeJP	NA	NA
+C15660	A 77003	C44H58N8O6	794.4479	NA	KEGG	NA	NA
+MJ094640	1,2,5,6-Tetradeoxy-2,5-bis[[3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]carbonyl]amino]-1-oxobutyl]amino]-1,6-diphenylaltritol 	C44H58N8O6	794.447931	NA	MeJP	NA	NA
+PJ037040	VVEHRR 	C33H58N14O9	794.4512	NA	PeJP	NA	NA
+PJ037041	GTTLLKY 	C37H62N8O11	794.4538	NA	PeJP	NA	NA
+PJ037042	AAPPVVLE 	C37H62N8O11	794.4539	NA	PeJP	NA	NA
+PJ037043	ALLHRW 	C38H58N12O7	794.4552	NA	PeJP	NA	NA
+MJ094641	12-Oleanene-3,16-diol, 16-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 3-O-?-D-glucuronopyranoside 	C46H66O11	794.460512	NA	MeJP	NA	NA
+MJ094642	Oleanolic acid 3-glycosides; Monoglycosides, 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?4)-?-D-glucopyranoside] 	C46H66O11	794.460512	NA	MeJP	NA	NA
+PJ037044	PPNRRR 	C32H58N16O8	794.4624	NA	PeJP	NA	NA
+PJ037045	TQKKKY 	C36H62N10O10	794.4651	NA	PeJP	NA	NA
+PJ037046	GPPLLLW 	C41H62N8O8	794.4691	NA	PeJP	NA	NA
+PJ037047	LLKKMY 	C38H66N8O8S	794.4725	NA	PeJP	NA	NA
+PJ037048	LLKEHR 	C35H62N12O9	794.4763	NA	PeJP	NA	NA
+PJ037049	VLLKHW 	C40H62N10O7	794.4803	NA	PeJP	NA	NA
+MJ094643	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4-O-Acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside 	C43H70O13	794.481642	NA	MeJP	NA	NA
+MJ094644	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(6-O-Acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside 	C43H70O13	794.481642	NA	MeJP	NA	NA
+PJ037050	TLLHRR 	C34H62N14O8	794.4875	NA	PeJP	NA	NA
+PJ037051	PPVLLKE 	C38H66N8O10	794.4902	NA	PeJP	NA	NA
+PJ037052	AKKHRR 	C33H62N16O7	794.4988	NA	PeJP	NA	NA
+PJ037053	TKKKKY 	C37H66N10O9	794.5015	NA	PeJP	NA	NA
+PJ037054	LLKKFF 	C42H66N8O7	794.5055	NA	PeJP	NA	NA
+HMDB10584	PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10597	PG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10598	PG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10655	PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10668	PG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10669	PG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10683	PG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+HMDB10684	PG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	C44H75O10P	794.509766	NA	HMDB2010	NA	NA
+PJ037055	GPPLKKR 	C36H66N12O8	794.5127	NA	PeJP	NA	NA
+MJ094645	1,2-Di-O-acylglycerols; Glycerol 1,2-dihexadecanoate, 3-O-(6-Deoxy-6-sulfo-?-D-glucopyranoside) 	C41H78O12S	794.521398	NA	MeJP	NA	NA
+PJ037056	VKKKHR 	C35H66N14O7	794.5239	NA	PeJP	NA	NA
+PJ037057	PVLLLLQ 	C39H70N8O9	794.5266	NA	PeJP	NA	NA
+PJ037058	APLLLLR 	C38H70N10O8	794.5378	NA	PeJP	NA	NA
+PJ037059	PVLLLLK 	C40H74N8O8	794.563	NA	PeJP	NA	NA
+MJ094646	1-Hentriacontene-4,6,8,10,12,14,16,18,20,22,24,26-dodecol, Dodeca-Me ether 	C43H86O12	794.611928	NA	MeJP	NA	NA
+C01967	Ubiquinone-9	C54H82O4	794.6213	NA	KEGG	NA	NA
+MJ094647	Coenzyme Q; Coenzyme Q9 	C54H82O4	794.621311	NA	MeJP	NA	NA
+MetaCyc04146	ubiquinone-9 [coenzyme-Q9;ubiquinone(9);]	C54H82O4	794.621311	303-97-9	metacyc	NA	NA
+HMDB06707	Coenzyme Q9	C54H82O4	794.621338	NA	HMDB2010	NA	NA
+HMDB06707	Coenzyme Q9	C54H82O4	794.62134	http://www.hmdb.ca/metabolites/HMDB06707	HMDB	NA	NA
+HMDB06707	Coenzyme Q9	C54H82O4	794.62134	HMDB06707	PFEM_hmdb_metabocards_official	NA	NA
+C00798	Formyl-CoA	C22H36N7O17P3S	795.1101	NA	KEGG	NA	NA
+HMDB03419	Formyl-CoA	C22H36N7O17P3S	795.110107	NA	HMDB2010	NA	NA
+HMDB03419	Formyl-CoA	C22H36N7O17P3S	795.11011	http://www.hmdb.ca/metabolites/HMDB03419	HMDB	NA	NA
+HMDB03419	Formyl-CoA	C22H36N7O17P3S	795.11011	HMDB03419	PFEM_hmdb_metabocards_official	NA	NA
+MJ094648	Formyl-CoA 	C22H36N7O17P3S	795.110123	NA	MeJP	NA	NA
+MetaCyc04147	formyl-CoA []	C22H36N7O17P3S1	795.110123	NA	metacyc	NA	NA
+PJ037060	CCCCCMM 	C25H45N7O8S7	795.1375	NA	PeJP	NA	NA
+PJ037061	CCCCCDF 	C28H41N7O10S5	795.1519	NA	PeJP	NA	NA
+PJ037062	SCCCCDY 	C28H41N7O12S4	795.1696	NA	PeJP	NA	NA
+PJ037063	ACCCCMY 	C29H45N7O9S5	795.1883	NA	PeJP	NA	NA
+MJ094649	Rubradirin B 	C40H33N3O15	795.191167	NA	MeJP	NA	NA
+PJ037064	CCCCNNH 	C26H41N11O10S4	795.1921	NA	PeJP	NA	NA
+PJ037065	SCCCDEH 	C27H41N9O13S3	795.1986	NA	PeJP	NA	NA
+PJ037066	PCCCCMH 	C28H45N9O8S5	795.1995	NA	PeJP	NA	NA
+PJ037067	SDDDDDD 	C27H37N7O21	795.2043	NA	PeJP	NA	NA
+PJ037068	PCCDDDE 	C28H41N7O16S2	795.2052	NA	PeJP	NA	NA
+PJ037069	SSCCCMY 	C29H45N7O11S4	795.206	NA	PeJP	NA	NA
+PJ037070	GCCDMMH 	C28H45N9O10S4	795.2173	NA	PeJP	NA	NA
+PJ037071	ACCCCFF 	C33H45N7O8S4	795.2213	NA	PeJP	NA	NA
+PJ037072	GDDDDEM 	C28H41N7O18S	795.2229	NA	PeJP	NA	NA
+PJ037073	CCNNNND 	C26H41N11O14S2	795.2276	NA	PeJP	NA	NA
+PJ037074	GGGGGGGGCCD 	C26H41N11O14S2	795.2277	NA	PeJP	NA	NA
+PJ037075	GCCDDHF 	C31H41N9O12S2	795.2316	NA	PeJP	NA	NA
+PJ037076	SCNNDDE 	C27H41N9O17S	795.2341	NA	PeJP	NA	NA
+PJ037077	GGSCNDDE 	C27H41N9O17S	795.2342	NA	PeJP	NA	NA
+PJ037078	SSCCEMH 	C28H45N9O12S3	795.235	NA	PeJP	NA	NA
+PJ037079	GCCCHHH 	C29H41N13O8S3	795.2364	NA	PeJP	NA	NA
+PJ037080	DDDDMW 	C32H41N7O15S	795.2382	NA	PeJP	NA	NA
+PJ037081	CCNMYY 	C33H45N7O10S3	795.239	NA	PeJP	NA	NA
+PJ037082	SSDDDEE 	C28H41N7O20	795.2407	NA	PeJP	NA	NA
+PJ037083	SPCDDEM 	C29H45N7O15S2	795.2415	NA	PeJP	NA	NA
+PJ037084	PPCCDMM 	C30H49N7O10S4	795.2424	NA	PeJP	NA	NA
+PJ037085	GSCNDDW 	C31H41N9O14S	795.2494	NA	PeJP	NA	NA
+PJ037086	GPCCCQW 	C32H45N9O9S3	795.2503	NA	PeJP	NA	NA
+PJ037087	GSSSNDDD 	C27H41N9O19	795.2519	NA	PeJP	NA	NA
+MJ094650	Bis[N-(2,6-diisopropylacetanilido)iminodiacetato]technetate(III)(1-) 	C36H48N4O10Tc(-)	795.252084	NA	MeJP	NA	NA
+PJ037088	GNNDDMM 	C28H45N9O14S2	795.2528	NA	PeJP	NA	NA
+PJ037089	GSCMMMH 	C29H49N9O9S4	795.2536	NA	PeJP	NA	NA
+PJ037090	GPDDDDY 	C32H41N7O17	795.2559	NA	PeJP	NA	NA
+PJ037091	GSTCCYY 	C33H45N7O12S2	795.2568	NA	PeJP	NA	NA
+PJ037092	GSDEEEM 	C29H45N7O17S	795.2593	NA	PeJP	NA	NA
+PJ037093	GPDDMMM 	C30H49N7O12S3	795.2602	NA	PeJP	NA	NA
+PJ037094	PPCCCHH 	C31H45N11O8S3	795.2615	NA	PeJP	NA	NA
+MJ094651	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2,8-Tris(3-pyridinecarbonyl), 9-benzoyl, 14-Ac 	C42H41N3O13	795.263938	NA	MeJP	NA	NA
+PJ037095	GCCNDER 	C27H45N11O13S2	795.264	NA	PeJP	NA	NA
+PJ037096	GNNDDDF 	C31H41N9O16	795.2672	NA	PeJP	NA	NA
+PJ037097	CNNEMW 	C32H45N9O11S2	795.268	NA	PeJP	NA	NA
+PJ037098	SSNNDEM 	C28H45N9O16S	795.2705	NA	PeJP	NA	NA
+PJ037099	SSTCMMH 	C29H49N9O11S3	795.2714	NA	PeJP	NA	NA
+PJ037100	GCNNDHH 	C29H41N13O12S	795.2719	NA	PeJP	NA	NA
+PJ037101	CCNFFY 	C37H45N7O9S2	795.272	NA	PeJP	NA	NA
+PJ037102	SSSSCYY 	C33H45N7O14S	795.2745	NA	PeJP	NA	NA
+PJ037103	SDEEMW 	C33H45N7O14S	795.2746	NA	PeJP	NA	NA
+PJ037104	PCEMMW 	C34H49N7O9S3	795.2754	NA	PeJP	NA	NA
+PJ037105	SSSEEEE 	C29H45N7O19	795.277	NA	PeJP	NA	NA
+PJ037106	QEEEMM 	C30H49N7O14S2	795.2779	NA	PeJP	NA	NA
+PJ037107	GSDDEHH 	C30H41N11O15	795.2784	NA	PeJP	NA	NA
+PJ037108	SPPCMMM 	C31H53N7O9S4	795.2788	NA	PeJP	NA	NA
+PJ037109	CCNDRW 	C31H45N11O10S2	795.2793	NA	PeJP	NA	NA
+PJ037110	SSCNDDR 	C27H45N11O15S	795.2818	NA	PeJP	NA	NA
+PJ037111	SPCCCQR 	C28H49N11O10S3	795.2826	NA	PeJP	NA	NA
+PJ037112	GCNMWW 	C36H45N9O8S2	795.2833	NA	PeJP	NA	NA
+PJ037113	GSSNDMW 	C32H45N9O13S	795.2858	NA	PeJP	NA	NA
+PJ037114	GPCCCKW 	C33H49N9O8S3	795.2867	NA	PeJP	NA	NA
+PJ037115	GSSSSNEE 	C28H45N9O18	795.2883	NA	PeJP	NA	NA
+PJ037116	ASNNEMM 	C29H49N9O13S2	795.2891	NA	PeJP	NA	NA
+PJ037117	DDEMMR 	C29H49N9O13S2	795.2892	NA	PeJP	NA	NA
+PJ037118	PCDEFW 	C37H45N7O11S	795.2898	NA	PeJP	NA	NA
+PJ037119	GSPDEEY 	C33H45N7O16	795.2923	NA	PeJP	NA	NA
+PJ037120	AEEMMW 	C34H49N7O11S2	795.2932	NA	PeJP	NA	NA
+PJ037121	SDDHHW 	C34H41N11O12	795.2937	NA	PeJP	NA	NA
+PJ037122	GTTEEEM 	C30H49N7O16S	795.2957	NA	PeJP	NA	NA
+PJ037123	GPTEMMM 	C31H53N7O11S3	795.2965	NA	PeJP	NA	NA
+PJ037124	GCNNNQF 	C31H45N11O12S	795.297	NA	PeJP	NA	NA
+PJ037125	GGGGGGGGACF 	C31H45N11O12S	795.2971	NA	PeJP	NA	NA
+PJ037126	CCMHFR 	C32H49N11O7S3	795.2979	NA	PeJP	NA	NA
+PJ037127	SSSSSNNN 	C27H45N11O17	795.2995	NA	PeJP	NA	NA
+PJ037128	GSCNEMR 	C28H49N11O12S2	795.3004	NA	PeJP	NA	NA
+PJ037129	SSCQWW 	C36H45N9O10S	795.301	NA	PeJP	NA	NA
+PJ037130	GGGGPCYW 	C36H45N9O10S	795.3011	NA	PeJP	NA	NA
+PJ037131	SSSSNEW 	C32H45N9O15	795.3035	NA	PeJP	NA	NA
+PJ037132	GGGGQEEY 	C32H45N9O15	795.3036	NA	PeJP	NA	NA
+PJ037133	SNQMMW 	C33H49N9O10S2	795.3044	NA	PeJP	NA	NA
+PJ037134	SSSQQEM 	C29H49N9O15S	795.3069	NA	PeJP	NA	NA
+PJ037135	SSNYYY 	C37H45N7O13	795.3075	NA	PeJP	NA	NA
+PJ037136	SPDEYW 	C37H45N7O13	795.3076	NA	PeJP	NA	NA
+PJ037137	QQQMMM 	C30H53N9O10S3	795.3078	NA	PeJP	NA	NA
+PJ037138	ASCNQHH 	C30H45N13O11S	795.3082	NA	PeJP	NA	NA
+PJ037139	CDEHHR 	C30H45N13O11S	795.3083	NA	PeJP	NA	NA
+PJ037140	PPCMYW 	C38H49N7O8S2	795.3084	NA	PeJP	NA	NA
+MJ094652	Auramycin B 	C41H49NO15	795.310219	NA	MeJP	NA	NA
+PJ037141	TTEEMW 	C34H49N7O13S	795.3109	NA	PeJP	NA	NA
+PJ037142	GSCCDRR 	C27H49N13O11S2	795.3116	NA	PeJP	NA	NA
+PJ037143	PTMMMW 	C35H53N7O8S3	795.3118	NA	PeJP	NA	NA
+PJ037144	GEMHHW 	C35H45N11O9S	795.3123	NA	PeJP	NA	NA
+PJ037145	STTTEEE 	C30H49N7O18	795.3134	NA	PeJP	NA	NA
+PJ037146	KEEEMM 	C31H53N7O13S2	795.3143	NA	PeJP	NA	NA
+PJ037147	NNDDRY 	C31H45N11O14	795.3148	NA	PeJP	NA	NA
+PJ037148	GPVMMMM 	C32H57N7O8S4	795.3152	NA	PeJP	NA	NA
+PJ037149	SCNMRW 	C32H49N11O9S2	795.3156	NA	PeJP	NA	NA
+PJ037150	GGSCMRW 	C32H49N11O9S2	795.3157	NA	PeJP	NA	NA
+PJ037151	NDHHHH 	C32H41N15O10	795.3161	NA	PeJP	NA	NA
+PJ037152	GCHFFW 	C40H45N9O7S	795.3163	NA	PeJP	NA	NA
+PJ037153	SSSNDMR 	C28H49N11O14S	795.3181	NA	PeJP	NA	NA
+PJ037154	GGSSSDMR 	C28H49N11O14S	795.3182	NA	PeJP	NA	NA
+PJ037155	GSSSSWW 	C36H45N9O12	795.3188	NA	PeJP	NA	NA
+PJ037156	NNMMMR 	C29H53N11O9S3	795.319	NA	PeJP	NA	NA
+PJ037157	ACCKWW 	C37H49N9O7S2	795.3197	NA	PeJP	NA	NA
+PJ037158	GSSTQMW 	C33H49N9O12S	795.3222	NA	PeJP	NA	NA
+PJ037159	EEFWW 	C41H45N7O10	795.3228	NA	PeJP	NA	NA
+PJ037160	CKMMHF 	C34H53N9O7S3	795.323	NA	PeJP	NA	NA
+PJ037161	GSSSSDKE 	C29H49N9O17	795.3247	NA	PeJP	NA	NA
+PJ037162	TEEMMR 	C30H53N9O12S2	795.3255	NA	PeJP	NA	NA
+PJ037163	GGGSKEMM 	C30H53N9O12S2	795.3256	NA	PeJP	NA	NA
+PJ037164	SSSNQHH 	C30H45N13O13	795.326	NA	PeJP	NA	NA
+PJ037165	APEMYW 	C38H49N7O10S	795.3262	NA	PeJP	NA	NA
+PJ037166	PMMMMR 	C31H57N9O7S4	795.3264	NA	PeJP	NA	NA
+PJ037167	MHHWW 	C39H45N11O6S	795.3275	NA	PeJP	NA	NA
+PJ037168	VQEEEY 	C34H49N7O15	795.3287	NA	PeJP	NA	NA
+PJ037169	SLEMMW 	C35H53N7O10S2	795.3296	NA	PeJP	NA	NA
+PJ037170	STEHHW 	C35H45N11O11	795.33	NA	PeJP	NA	NA
+PJ037171	GGGGPEHW 	C35H45N11O11	795.3301	NA	PeJP	NA	NA
+PJ037172	CCQMRR 	C28H53N13O8S3	795.3303	NA	PeJP	NA	NA
+PJ037173	SSTLEEM 	C31H53N7O15S	795.3321	NA	PeJP	NA	NA
+PJ037174	AALEMMM 	C32H57N7O10S3	795.3329	NA	PeJP	NA	NA
+PJ037175	GSSTCRW 	C32H49N11O11S	795.3334	NA	PeJP	NA	NA
+PJ037176	NQYWW 	C40H45N9O9	795.334	NA	PeJP	NA	NA
+PJ037177	GGQYWW 	C40H45N9O9	795.3341	NA	PeJP	NA	NA
+PJ037178	GSSSSSER 	C28H49N11O16	795.3359	NA	PeJP	NA	NA
+PJ037179	GSSQMMR 	C29H53N11O11S2	795.3368	NA	PeJP	NA	NA
+PJ037180	SSCKWW 	C37H49N9O9S	795.3374	NA	PeJP	NA	NA
+PJ037181	SSSSDKW 	C33H49N9O14	795.3399	NA	PeJP	NA	NA
+PJ037182	SNKMMW 	C34H53N9O9S2	795.3408	NA	PeJP	NA	NA
+PJ037183	NNQHHF 	C34H45N13O10	795.3413	NA	PeJP	NA	NA
+PJ037184	PPCFFW 	C42H49N7O7S	795.3415	NA	PeJP	NA	NA
+PJ037185	SSSQKEM 	C30H53N9O14S	795.3433	NA	PeJP	NA	NA
+PJ037186	AVEEYW 	C38H49N7O12	795.3439	NA	PeJP	NA	NA
+PJ037187	GLEEYW 	C38H49N7O12	795.344	NA	PeJP	NA	NA
+PJ037188	VEMMMR 	C31H57N9O9S3	795.3442	NA	PeJP	NA	NA
+PJ037189	SEMHHR 	C31H49N13O10S	795.3446	NA	PeJP	NA	NA
+PJ037190	GGGTCKHH 	C31H49N13O10S	795.3447	NA	PeJP	NA	NA
+PJ037191	PCLMFW 	C39H53N7O7S2	795.3448	NA	PeJP	NA	NA
+PJ037192	GPNHWW 	C39H45N11O8	795.3453	NA	PeJP	NA	NA
+PJ037193	PKEEMY 	C35H53N7O12S	795.3473	NA	PeJP	NA	NA
+PJ037194	GSSCMRR 	C28H53N13O10S2	795.348	NA	PeJP	NA	NA
+PJ037195	VVMMMW 	C36H57N7O7S3	795.3482	NA	PeJP	NA	NA
+PJ037196	GCQFRW 	C36H49N11O8S	795.3487	NA	PeJP	NA	NA
+PJ037197	ATTLEMM 	C32H57N7O12S2	795.3507	NA	PeJP	NA	NA
+PJ037198	SSSSSRW 	C32H49N11O13	795.3512	NA	PeJP	NA	NA
+PJ037199	TCCKRW 	C33H53N11O8S2	795.352	NA	PeJP	NA	NA
+PJ037200	TQHHHH 	C33H45N15O9	795.3525	NA	PeJP	NA	NA
+PJ037201	SSSTQMR 	C29H53N11O13S	795.3545	NA	PeJP	NA	NA
+PJ037202	GNKEYW 	C37H49N9O11	795.3552	NA	PeJP	NA	NA
+PJ037203	CQKMMR 	C30H57N11O8S3	795.3554	NA	PeJP	NA	NA
+PJ037204	GSSTKMW 	C34H53N9O11S	795.3585	NA	PeJP	NA	NA
+PJ037205	PTEMRY 	C34H53N9O11S	795.3586	NA	PeJP	NA	NA
+MJ094653	Virginiamycin S1; 5-L-Proline analogue 	C42H49N7O9	795.359176	NA	MeJP	NA	NA
+PJ037206	LEYWW 	C42H49N7O9	795.3592	NA	PeJP	NA	NA
+PJ037207	PCHHFR 	C35H49N13O7S	795.3599	NA	PeJP	NA	NA
+PJ037208	ASSSSTKE 	C30H53N9O16	795.361	NA	PeJP	NA	NA
+PJ037209	GSSSTTKE 	C30H53N9O16	795.3611	NA	PeJP	NA	NA
+PJ037210	GSDKKMM 	C31H57N9O11S2	795.3619	NA	PeJP	NA	NA
+PJ037211	GSPNEHR 	C31H49N13O12	795.3624	NA	PeJP	NA	NA
+PJ037212	SPLMYW 	C39H53N7O9S	795.3626	NA	PeJP	NA	NA
+PJ037213	CLMHHR 	C32H53N13O7S2	795.3633	NA	PeJP	NA	NA
+PJ037214	VKEEEY 	C35H53N7O14	795.3651	NA	PeJP	NA	NA
+PJ037215	SSSTCRR 	C28H53N13O12S	795.3658	NA	PeJP	NA	NA
+PJ037216	AAPLMMY 	C36H57N7O9S2	795.3659	NA	PeJP	NA	NA
+PJ037217	GPVVMMY 	C36H57N7O9S2	795.366	NA	PeJP	NA	NA
+PJ037218	GSQRYW 	C36H49N11O10	795.3664	NA	PeJP	NA	NA
+PJ037219	CCKMRR 	C29H57N13O7S3	795.3666	NA	PeJP	NA	NA
+PJ037220	TTTTLEM 	C32H57N7O14S	795.3684	NA	PeJP	NA	NA
+PJ037221	GTLLMMM 	C33H61N7O9S3	795.3693	NA	PeJP	NA	NA
+PJ037222	AQQMRY 	C33H53N11O10S	795.3698	NA	PeJP	NA	NA
+PJ037223	NKYWW 	C41H49N9O8	795.3704	NA	PeJP	NA	NA
+PJ037224	GAAHFFF 	C41H49N9O8	795.3705	NA	PeJP	NA	NA
+PJ037225	GSSSTTTR 	C29H53N11O15	795.3723	NA	PeJP	NA	NA
+PJ037226	GSSKMMR 	C30H57N11O10S2	795.3732	NA	PeJP	NA	NA
+PJ037227	NNQQHR 	C30H49N15O11	795.3736	NA	PeJP	NA	NA
+PJ037228	GGGGGAQHR 	C30H49N15O11	795.3737	NA	PeJP	NA	NA
+PJ037229	GQKMFW 	C38H53N9O8S	795.3738	NA	PeJP	NA	NA
+MJ094654	Physalemin-like immunoreactive peptide 7 	C34H53N9O13	795.376282	NA	MeJP	NA	NA
+PJ037230	SSSTTKW 	C34H53N9O13	795.3763	NA	PeJP	NA	NA
+PJ037231	TCKKMW 	C35H57N9O8S2	795.3772	NA	PeJP	NA	NA
+PJ037232	SPNHRW 	C35H49N13O9	795.3777	NA	PeJP	NA	NA
+PJ037233	SSSKKEM 	C31H57N9O13S	795.3797	NA	PeJP	NA	NA
+PJ037234	SVLEYW 	C39H53N7O11	795.3803	NA	PeJP	NA	NA
+PJ037235	QKKMMM 	C32H61N9O8S3	795.3806	NA	PeJP	NA	NA
+PJ037236	GNMRRY 	C32H53N13O9S	795.381	NA	PeJP	NA	NA
+PJ037237	GLHHFW 	C40H49N11O7	795.3817	NA	PeJP	NA	NA
+PJ037238	LLQEMY 	C36H57N7O11S	795.3837	NA	PeJP	NA	NA
+PJ037239	GCKFRW 	C37H53N11O7S	795.3851	NA	PeJP	NA	NA
+PJ037240	STTLLMM 	C33H61N7O11S2	795.3871	NA	PeJP	NA	NA
+PJ037241	SNKERY 	C33H53N11O12	795.3875	NA	PeJP	NA	NA
+PJ037242	GGSKERY 	C33H53N11O12	795.3876	NA	PeJP	NA	NA
+PJ037243	LKMMHH 	C34H57N11O7S2	795.3884	NA	PeJP	NA	NA
+PJ037244	TKHHHH 	C34H49N15O8	795.3889	NA	PeJP	NA	NA
+PJ037245	SSSTKMR 	C30H57N11O12S	795.3909	NA	PeJP	NA	NA
+PJ037246	GDKKYW 	C38H53N9O10	795.3916	NA	PeJP	NA	NA
+PJ037247	CKKMMR 	C31H61N11O7S3	795.3918	NA	PeJP	NA	NA
+PJ037248	PCQHRR 	C31H53N15O8S	795.3923	NA	PeJP	NA	NA
+PJ037249	VVEMRY 	C35H57N9O10S	795.3949	NA	PeJP	NA	NA
+PJ037250	GGGALKMY 	C35H57N9O10S	795.395	NA	PeJP	NA	NA
+PJ037251	APLFYW 	C43H53N7O8	795.3956	NA	PeJP	NA	NA
+PJ037252	SSSSSTLK 	C31H57N9O15	795.3974	NA	PeJP	NA	NA
+PJ037253	GTTKKMM 	C32H61N9O10S2	795.3983	NA	PeJP	NA	NA
+PJ037254	SSQRRY 	C32H53N13O11	795.3988	NA	PeJP	NA	NA
+PJ037255	ALLMYW 	C40H57N7O8S	795.399	NA	PeJP	NA	NA
+PJ037256	GTTLLEY 	C36H57N7O13	795.4015	NA	PeJP	NA	NA
+PJ037257	AALLMMF 	C37H61N7O8S2	795.4023	NA	PeJP	NA	NA
+PJ037258	GSKRYW 	C37H53N11O9	795.4028	NA	PeJP	NA	NA
+7630	ACE inhibitor from kappa-CN (fr, 25-30)	YIPIQY	795.404	antioxidative	Inhouse_peptide	NA	peptide
+MJ094655	Eurocidin D 	C40H61NO15	795.40412	NA	MeJP	NA	NA
+PJ037259	AQKMRY 	C34H57N11O9S	795.4062	NA	PeJP	NA	NA
+PJ037260	PPLHFW 	C42H53N9O7	795.4068	NA	PeJP	NA	NA
+PJ037261	AQEHRR 	C31H53N15O10	795.41	NA	PeJP	NA	NA
+PJ037262	GKKMFW 	C39H57N9O7S	795.4102	NA	PeJP	NA	NA
+PJ037263	TQKKEY 	C35H57N9O12	795.4127	NA	PeJP	NA	NA
+PJ037264	VLMMFR 	C36H61N9O7S2	795.4136	NA	PeJP	NA	NA
+PJ037265	GLQHRW 	C36H53N13O8	795.414	NA	PeJP	NA	NA
+PJ037266	GGALHRW 	C36H53N13O8	795.4141	NA	PeJP	NA	NA
+PJ037267	STTTKKM 	C32H61N9O12S	795.4161	NA	PeJP	NA	NA
+PJ037268	TTLLYW 	C40H57N7O10	795.4167	NA	PeJP	NA	NA
+PJ037269	KKKMMM 	C33H65N9O7S3	795.4169	NA	PeJP	NA	NA
+PJ037270	ACKRRY 	C33H57N13O8S	795.4174	NA	PeJP	NA	NA
+PJ037271	LLKEMY 	C37H61N7O10S	795.4201	NA	PeJP	NA	NA
+PJ037272	GDHRRR 	C30H53N17O9	795.4213	NA	PeJP	NA	NA
+PJ037273	SDKKRY 	C34H57N11O11	795.4239	NA	PeJP	NA	NA
+PJ037274	GAAPPLDR 	C34H57N11O11	795.424	NA	PeJP	NA	NA
+PJ037275	AAHRRW 	C35H53N15O7	795.4253	NA	PeJP	NA	NA
+PJ037276	STKKFW 	C39H57N9O9	795.4279	NA	PeJP	NA	NA
+PJ037277	ATKKYW 	C39H57N9O9	795.428	NA	PeJP	NA	NA
+PJ037278	PCKHRR 	C32H57N15O7S	795.4287	NA	PeJP	NA	NA
+PJ037279	TLLMRY 	C36H61N9O9S	795.4313	NA	PeJP	NA	NA
+PJ037280	ALLFFW 	C44H57N7O7	795.432	NA	PeJP	NA	NA
+PJ037281	SSKRRY 	C33H57N13O10	795.4352	NA	PeJP	NA	NA
+PJ037282	SSTLLLY 	C37H61N7O12	795.4378	NA	PeJP	NA	NA
+PJ037283	PPVLLEE 	C37H61N7O12	795.4379	NA	PeJP	NA	NA
+PJ037284	PPLQRW 	C38H57N11O8	795.4392	NA	PeJP	NA	NA
+PJ037285	AKKMRY 	C35H61N11O8S	795.4426	NA	PeJP	NA	NA
+PJ037286	PPDRRR 	C32H57N15O9	795.4464	NA	PeJP	NA	NA
+PJ037287	TKKKEY 	C36H61N9O11	795.4491	NA	PeJP	NA	NA
+PJ037288	GLKHRW 	C37H57N13O7	795.4504	NA	PeJP	NA	NA
+PJ037289	PLLKYY 	C41H61N7O9	795.4531	NA	PeJP	NA	NA
+PJ037290	PKKMHR 	C34H61N13O7S	795.4538	NA	PeJP	NA	NA
+PJ037291	ATHRRR 	C31H57N17O8	795.4576	NA	PeJP	NA	NA
+PJ037292	TTKKRY 	C35H61N11O10	795.4603	NA	PeJP	NA	NA
+PJ037293	APPVVKW 	C40H61N9O8	795.4643	NA	PeJP	NA	NA
+PJ037294	GPPVLKW 	C40H61N9O8	795.4644	NA	PeJP	NA	NA
+PJ037295	VKKKMY 	C37H65N9O8S	795.4677	NA	PeJP	NA	NA
+PJ037296	GPPTLRR 	C34H61N13O9	795.4716	NA	PeJP	NA	NA
+PJ037297	PPLKRW 	C39H61N11O7	795.4756	NA	PeJP	NA	NA
+MJ094656	Kulolide 1; 7,8-Dihydro 	C43H65N5O9	795.478228	NA	MeJP	NA	NA
+MJ094657	Majusculamide D; 4'-Deoxy 	C43H65N5O9	795.478228	NA	MeJP	NA	NA
+PJ037298	SLKHRR 	C33H61N15O8	795.4828	NA	PeJP	NA	NA
+MJ094658	Piperastatin B 	C37H65N9O10	795.485439	NA	MeJP	NA	NA
+PJ037299	STLLLLH 	C37H65N9O10	795.4855	NA	PeJP	NA	NA
+PJ037300	LLLKFY 	C42H65N7O8	795.4895	NA	PeJP	NA	NA
+PJ037301	PPLLLLM 	C39H69N7O8S	795.4929	NA	PeJP	NA	NA
+PJ037302	SPPVLKR 	C36H65N11O9	795.4967	NA	PeJP	NA	NA
+PJ037303	VKKKFF 	C41H65N9O7	795.5007	NA	PeJP	NA	NA
+PJ037304	AAPLLRR 	C35H65N13O8	795.5079	NA	PeJP	NA	NA
+PJ037305	PVLLLLE 	C39H69N7O10	795.5106	NA	PeJP	NA	NA
+PJ037306	PVLRRR 	C34H65N15O7	795.5192	NA	PeJP	NA	NA
+PJ037307	PPTLLKK 	C38H69N9O9	795.5219	NA	PeJP	NA	NA
+PJ037308	GPLLLKR 	C37H69N11O8	795.5331	NA	PeJP	NA	NA
+PJ037309	KKKKKH 	C36H69N13O7	795.5443	NA	PeJP	NA	NA
+PJ037310	PVVLLKK 	C39H73N9O8	795.5582	NA	PeJP	NA	NA
+EUR996	PC 38:4 [M-H-CH3]-	C46H84NO8P	795.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR996	PC 38:4 [M-H-CH3]-	C46H84NO8P	795.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR996	PC 38:4 [M-H-CH3]-	C46H84NO8P	795.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR996	PC 38:4 [M-H-CH3]-	C46H84NO8P	795.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07955	PC(15:0/22:4(7Z,10Z,13Z,16Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB08625	PC(22:4(7Z,10Z,13Z,16Z)/15:0)	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09009	PE(18:0/22:4(7Z,10Z,13Z,16Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09107	PE(18:2(9Z,12Z)/22:2(13Z,16Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09139	PE(18:3(6Z,9Z,12Z)/22:1(13Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09172	PE(18:3(9Z,12Z,15Z)/22:1(13Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09204	PE(18:4(6Z,9Z,12Z,15Z)/22:0)	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09234	PE(20:0/20:4(5Z,8Z,11Z,14Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09235	PE(20:0/20:4(8Z,11Z,14Z,17Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09265	PE(20:1(11Z)/20:3(5Z,8Z,11Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09266	PE(20:1(11Z)/20:3(8Z,11Z,14Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09297	PE(20:2(11Z,14Z)/20:2(11Z,14Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09329	PE(20:3(5Z,8Z,11Z)/20:1(11Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09362	PE(20:3(8Z,11Z,14Z)/20:1(11Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09394	PE(20:4(5Z,8Z,11Z,14Z)/20:0)	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09427	PE(20:4(8Z,11Z,14Z,17Z)/20:0)	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09492	PE(22:0/18:4(6Z,9Z,12Z,15Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09523	PE(22:1(13Z)/18:3(6Z,9Z,12Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09524	PE(22:1(13Z)/18:3(9Z,12Z,15Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09555	PE(22:2(13Z,16Z)/18:2(9Z,12Z))	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+HMDB09585	PE(22:4(7Z,10Z,13Z,16Z)/18:0)	C45H82NO8P	795.57782	NA	HMDB2010	NA	NA
+PJ037311	VLLLLLL 	C41H77N7O8	795.5834	NA	PeJP	NA	NA
+HMDB08359	PC(20:2(11Z,14Z)/P-18:1(11Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB08360	PC(20:2(11Z,14Z)/P-18:1(9Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB08391	PC(20:3(5Z,8Z,11Z)/P-18:0)	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB08423	PC(20:3(8Z,11Z,14Z)/P-18:0)	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB11251	PC(P-18:0/20:3(5Z,8Z,11Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB11252	PC(P-18:0/20:3(8Z,11Z,14Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB11283	PC(P-18:1(11Z)/20:2(11Z,14Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB11316	PC(P-18:1(9Z)/20:2(11Z,14Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+HMDB13420	PC(o-18:0/20:4(8Z,11Z,14Z,17Z))	C46H86NO7P	795.614197	NA	HMDB2010	NA	NA
+MJ094659	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxyheneicosanoyl), 1-O-?-D-glucopyranoside 	C46H85NO9	795.622433	NA	MeJP	NA	NA
+EUR1131	SM(d18:1/24:4) [M-H-CH3]-	C47H90N2O6P	795.638001	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1131	SM(d18:1/24:4) [M-H-CH3]-	C47H90N2O6P	795.638001	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1131	SM(d18:1/24:4) [M-H-CH3]-	C47H90N2O6P	795.638001	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1131	SM(d18:1/24:4) [M-H-CH3]-	C47H90N2O6P	795.638001	masses lipides attendues	Inhousejuil11	NA	NA
+PJ037312	GCCCCCCC 	C23H40N8O9S7	796.0964	NA	PeJP	NA	NA
+MJ094660	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1-O-(3,4-Dihydroxy-E-cinnamoyl), 3-O-(3,4,5-trihydroxybenzoyl) 	C36H28O21	796.112307	NA	MeJP	NA	NA
+PJ037313	CCCCNDH 	C26H40N10O11S4	796.1761	NA	PeJP	NA	NA
+MJ094661	Ulithiacyclamide B 	C35H40N8O6S4	796.195363	NA	MeJP	NA	NA
+PJ037314	GPPCCCCD 	C28H44N8O11S4	796.2013	NA	PeJP	NA	NA
+PJ037315	CCNNNDD 	C26H40N10O15S2	796.2116	NA	PeJP	NA	NA
+PJ037316	GGGGCCNDD 	C26H40N10O15S2	796.2117	NA	PeJP	NA	NA
+PJ037317	SCCCNMH 	C27H44N10O10S4	796.2125	NA	PeJP	NA	NA
+PJ037318	SCNDDDE 	C27H40N8O18S	796.2182	NA	PeJP	NA	NA
+PJ037319	PCCNDDM 	C28H44N8O13S3	796.219	NA	PeJP	NA	NA
+PJ037320	CCDMYY 	C33H44N6O11S3	796.223	NA	PeJP	NA	NA
+MJ094662	Riboflavine; 2',3',4',5'-Tetranicotinate 	C41H32N8O10	796.224139	NA	MeJP	NA	NA
+PJ037321	GSSTCCCH 	C27H44N10O12S3	796.2303	NA	PeJP	NA	NA
+PJ037322	GSCDDDW 	C31H40N8O15S	796.2334	NA	PeJP	NA	NA
+PJ037323	GPCCCEW 	C32H44N8O10S3	796.2343	NA	PeJP	NA	NA
+PJ037324	GSSSDDDD 	C27H40N8O20	796.2359	NA	PeJP	NA	NA
+PJ037325	GNDDDMM 	C28H44N8O15S2	796.2368	NA	PeJP	NA	NA
+PJ037326	GSPPCCCM 	C29H48N8O10S4	796.2377	NA	PeJP	NA	NA
+PJ037327	CCMMFY 	C34H48N6O8S4	796.2417	NA	PeJP	NA	NA
+FL3FABGS0015	Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrhamnosyl)glucoside	C36H44O20	796.24259	188342-30-5	knapsack	NA	NA
+FL3FABGS0021	Acacetin 7-Rhamnosyl-(1->6)[2''-acetylglucosyl-(1->2)glucoside];7-[(O-2-O-Acetyl-beta-D-glucopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C36H44O20	796.24259	206257-40-1	knapsack	NA	NA
+FL3FABGS0022	Acacetin 7-[6'''-acetylglucosyl-(1->2)]-rhamnosyl-(1->6)-glucoside;7-[(O-6-O-Acetyl-beta-D-glucopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C36H44O20	796.24259	394210-62-9	knapsack	NA	NA
+MJ094663	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C36H44O20	796.242593	NA	MeJP	NA	NA
+MJ094664	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside; 3',4-Dibenzoyl, 1',6''-di-Ac 	C36H44O20	796.242593	NA	MeJP	NA	NA
+MJ094665	?-D-Fructofuranosyl ?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside; 3',4-Dibenzoyl, 1',6-di-Ac 	C36H44O20	796.242593	NA	MeJP	NA	NA
+MJ094666	Sucrose; 3',6-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl), 4-Ac 	C36H44O20	796.242593	NA	MeJP	NA	NA
+PJ037328	GCCCQHF 	C31H44N10O9S3	796.2455	NA	PeJP	NA	NA
+PJ037329	GCCDDER 	C27H44N10O14S2	796.248	NA	PeJP	NA	NA
+PJ037330	TCCCCKH 	C28H48N10O9S4	796.2489	NA	PeJP	NA	NA
+PJ037331	PCCCWW 	C36H44N8O7S3	796.2495	NA	PeJP	NA	NA
+PJ037332	GNDDDDF 	C31H40N8O17	796.2512	NA	PeJP	NA	NA
+PJ037333	CNDEMW 	C32H44N8O12S2	796.252	NA	PeJP	NA	NA
+PJ037334	SSNDDEM 	C28H44N8O17S	796.2545	NA	PeJP	NA	NA
+PJ037335	GGSSDDEM 	C28H44N8O17S	796.2546	NA	PeJP	NA	NA
+PJ037336	SPCNDMM 	C29H48N8O12S3	796.2554	NA	PeJP	NA	NA
+PJ037337	GCNDDHH 	C29H40N12O13S	796.2559	NA	PeJP	NA	NA
+PJ037338	CCDFFY 	C37H44N6O10S2	796.2561	NA	PeJP	NA	NA
+PJ037339	SCMMYY 	C34H48N6O10S3	796.2594	NA	PeJP	NA	NA
+PJ037340	EEEEMM 	C30H48N6O15S2	796.2619	NA	PeJP	NA	NA
+PJ037341	CCDDRW 	C31H44N10O11S2	796.2633	NA	PeJP	NA	NA
+PJ037342	SSCDDDR 	C27H44N10O16S	796.2658	NA	PeJP	NA	NA
+PJ037343	SPCCCER 	C28H48N10O11S3	796.2666	NA	PeJP	NA	NA
+PJ037344	GGGCNQMM 	C28H48N10O11S3	796.2667	NA	PeJP	NA	NA
+PJ037345	GCDMWW 	C36H44N8O9S2	796.2673	NA	PeJP	NA	NA
+PJ037346	GSSDDMW 	C32H44N8O14S	796.2698	NA	PeJP	NA	NA
+PJ037347	GPTCCMW 	C33H48N8O9S3	796.2707	NA	PeJP	NA	NA
+PJ037348	GSSSSDEE 	C28H44N8O19	796.2723	NA	PeJP	NA	NA
+PJ037349	GSNEEMM 	C29H48N8O14S2	796.2732	NA	PeJP	NA	NA
+PJ037350	GCEYYY 	C37H44N6O12S	796.2738	NA	PeJP	NA	NA
+PJ037351	GPCQMMM 	C30H52N8O9S4	796.274	NA	PeJP	NA	NA
+PJ037352	GGAPCMMM 	C30H52N8O9S4	796.2741	NA	PeJP	NA	NA
+PJ037353	SPCCNHH 	C30H44N12O10S2	796.2745	NA	PeJP	NA	NA
+PJ037354	CCMFFF 	C38H48N6O7S3	796.2747	NA	PeJP	NA	NA
+PJ037355	DEEEEF 	C33H44N6O17	796.2763	NA	PeJP	NA	NA
+PJ037356	GCCNNMR 	C27H48N12O10S3	796.2779	NA	PeJP	NA	NA
+PJ037357	SSSCNNW 	C31H44N10O13S	796.281	NA	PeJP	NA	NA
+PJ037358	GGGGGGGCEF 	C31H44N10O13S	796.2811	NA	PeJP	NA	NA
+PJ037359	GCCCKHF 	C32H48N10O8S3	796.2819	NA	PeJP	NA	NA
+PJ037360	SSSSSNND 	C27H44N10O18	796.2835	NA	PeJP	NA	NA
+PJ037361	GSCDEMR 	C28H48N10O13S2	796.2844	NA	PeJP	NA	NA
+PJ037362	SSCEWW 	C36H44N8O11S	796.2851	NA	PeJP	NA	NA
+PJ037363	GPCCMMR 	C29H52N10O8S4	796.2853	NA	PeJP	NA	NA
+PJ037364	SSSSDEW 	C32H44N8O16	796.2875	NA	PeJP	NA	NA
+PJ037365	NNEEEY 	C32H44N8O16	796.2876	NA	PeJP	NA	NA
+PJ037366	SNEMMW 	C33H48N8O11S2	796.2884	NA	PeJP	NA	NA
+MJ094667	Lipopurealins; Lipopurealin E 	C36H58Br2N6O4	796.288629	NA	MeJP	NA	NA
+PJ037367	CYYYW 	C41H44N6O9S	796.2891	NA	PeJP	NA	NA
+PJ037368	SSSQEEM 	C29H48N8O16S	796.2909	NA	PeJP	NA	NA
+PJ037369	SSDYYY 	C37H44N6O14	796.2916	NA	PeJP	NA	NA
+PJ037370	QQEMMM 	C30H52N8O11S3	796.2918	NA	PeJP	NA	NA
+PJ037371	GSNDMHH 	C30H44N12O12S	796.2923	NA	PeJP	NA	NA
+PJ037372	ACMFYY 	C38H48N6O9S2	796.2924	NA	PeJP	NA	NA
+PJ037373	PEEEMY 	C34H48N6O14S	796.295	NA	PeJP	NA	NA
+PJ037374	SSCCNQR 	C27H48N12O12S2	796.2956	NA	PeJP	NA	NA
+PJ037375	GGGGSTCCR 	C27H48N12O12S2	796.2957	NA	PeJP	NA	NA
+PJ037376	CNNNFW 	C35H44N10O10S	796.2963	NA	PeJP	NA	NA
+PJ037377	NDDDRY 	C31H44N10O15	796.2988	NA	PeJP	NA	NA
+PJ037378	SCDMRW 	C32H48N10O10S2	796.2997	NA	PeJP	NA	NA
+PJ037379	DDHHHH 	C32H40N14O11	796.3001	NA	PeJP	NA	NA
+PJ037380	SSSDDMR 	C28H48N10O15S	796.3022	NA	PeJP	NA	NA
+PJ037381	GNEEYW 	C36H44N8O13	796.3028	NA	PeJP	NA	NA
+PJ037382	NDMMMR 	C29H52N10O10S3	796.303	NA	PeJP	NA	NA
+PJ037383	GGGGGCKMM 	C29H52N10O10S3	796.3031	NA	PeJP	NA	NA
+PJ037384	GSMMWW 	C37H48N8O8S2	796.3037	NA	PeJP	NA	NA
+PJ037385	GSSTEMW 	C33H48N8O13S	796.3062	NA	PeJP	NA	NA
+PJ037386	AQMMMW 	C34H52N8O8S3	796.307	NA	PeJP	NA	NA
+PJ037387	GAAMMMW 	C34H52N8O8S3	796.3071	NA	PeJP	NA	NA
+PJ037388	SCQHHW 	C34H44N12O9S	796.3075	NA	PeJP	NA	NA
+PJ037389	GSSSTTEE 	C29H48N8O18	796.3087	NA	PeJP	NA	NA
+MJ094668	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7,9-Tribenzoyl, 4,13-di-Ac 	C45H48O13	796.309491	NA	MeJP	NA	NA
+MJ094669	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9,10-Tribenzoyl, 4,13-di-Ac 	C45H48O13	796.309491	NA	MeJP	NA	NA
+PJ037390	GTTQEMM 	C30H52N8O13S2	796.3095	NA	PeJP	NA	NA
+PJ037391	GSDKEMM 	C30H52N8O13S2	796.3096	NA	PeJP	NA	NA
+PJ037392	SSSNEHH 	C30H44N12O14	796.31	NA	PeJP	NA	NA
+PJ037393	GGGGGGSPDH 	C30H44N12O14	796.3101	NA	PeJP	NA	NA
+PJ037394	GTMYYY 	C38H48N6O11S	796.3102	NA	PeJP	NA	NA
+PJ037395	GPCKMMM 	C31H56N8O8S4	796.3104	NA	PeJP	NA	NA
+PJ037396	NQMMHH 	C31H48N12O9S2	796.3109	NA	PeJP	NA	NA
+PJ037397	VEEEEY 	C34H48N6O16	796.3127	NA	PeJP	NA	NA
+PJ037398	GSSSSCNR 	C27H48N12O14S	796.3134	NA	PeJP	NA	NA
+PJ037399	SNNNYW 	C35H44N10O12	796.314	NA	PeJP	NA	NA
+PJ037400	GGGGSNYW 	C35H44N10O12	796.3141	NA	PeJP	NA	NA
+PJ037401	CCEMRR 	C28H52N12O9S3	796.3143	NA	PeJP	NA	NA
+MJ094670	Terracinolide A; 13?-Hydroxy, 6-debenzoyl, 6-Ac 	C38H52O18	796.315364	NA	MeJP	NA	NA
+MJ094671	Terracinolide A; 1?-Acetoxy, 6-debenzoyl, 15-de-Ac, 6-Ac 	C38H52O18	796.315364	NA	MeJP	NA	NA
+PJ037402	GSPCDRY 	C32H48N10O12S	796.3174	NA	PeJP	NA	NA
+PJ037403	NEYWW 	C40H44N8O10	796.3181	NA	PeJP	NA	NA
+PJ037404	ACMMRW 	C33H52N10O7S3	796.3183	NA	PeJP	NA	NA
+PJ037405	SSSSSSQQ 	C28H48N10O17	796.3199	NA	PeJP	NA	NA
+PJ037406	GSSEMMR 	C29H52N10O12S2	796.3208	NA	PeJP	NA	NA
+PJ037407	GNNNNQH 	C29H44N14O13	796.3213	NA	PeJP	NA	NA
+PJ037408	SSTMWW 	C37H48N8O10S	796.3214	NA	PeJP	NA	NA
+PJ037409	GGAEMFW 	C37H48N8O10S	796.3215	NA	PeJP	NA	NA
+PJ037410	CNMHHR 	C30H48N14O8S2	796.3221	NA	PeJP	NA	NA
+PJ037411	SSSTTEW 	C33H48N8O15	796.3239	NA	PeJP	NA	NA
+PJ037412	GGDKEEY 	C33H48N8O15	796.324	NA	PeJP	NA	NA
+PJ037413	SDKMMW 	C34H52N8O10S2	796.3248	NA	PeJP	NA	NA
+PJ037414	GSSSHHW 	C34H44N12O11	796.3253	NA	PeJP	NA	NA
+PJ037415	ACFFFY 	C42H48N6O8S	796.3255	NA	PeJP	NA	NA
+PJ037416	SSSKEEM 	C30H52N8O15S	796.3273	NA	PeJP	NA	NA
+PJ037417	STTYYY 	C38H48N6O13	796.3279	NA	PeJP	NA	NA
+PJ037418	PPEEYY 	C38H48N6O13	796.328	NA	PeJP	NA	NA
+PJ037419	QKEMMM 	C31H56N8O10S3	796.3282	NA	PeJP	NA	NA
+PJ037420	CNNQRY 	C31H48N12O11S	796.3286	NA	PeJP	NA	NA
+PJ037421	GGCNQRY 	C31H48N12O11S	796.3287	NA	PeJP	NA	NA
+PJ037422	GPDHWW 	C39H44N10O9	796.3293	NA	PeJP	NA	NA
+PJ037423	LEEEMF 	C35H52N6O13S	796.3313	NA	PeJP	NA	NA
+PJ037424	SSCCNKR 	C28H52N12O11S2	796.332	NA	PeJP	NA	NA
+PJ037425	GCEFRW 	C36H48N10O9S	796.3327	NA	PeJP	NA	NA
+PJ037426	GYWWW 	C44H44N8O7	796.3333	NA	PeJP	NA	NA
+PJ037427	SNEERY 	C32H48N10O14	796.3352	NA	PeJP	NA	NA
+PJ037428	SSMMRW 	C33H52N10O9S2	796.336	NA	PeJP	NA	NA
+PJ037429	GAPCMRY 	C33H52N10O9S2	796.3361	NA	PeJP	NA	NA
+PJ037430	TEHHHH 	C33H44N14O10	796.3365	NA	PeJP	NA	NA
+PJ037431	QMFWW 	C41H48N8O7S	796.3367	NA	PeJP	NA	NA
+PJ037432	SSSTEMR 	C29H52N10O14S	796.3385	NA	PeJP	NA	NA
+PJ037433	GGGSSSSKM 	C29H52N10O14S	796.3386	NA	PeJP	NA	NA
+PJ037434	GDKEYW 	C37H48N8O12	796.3392	NA	PeJP	NA	NA
+PJ037435	TQMMMR 	C30H56N10O9S3	796.3394	NA	PeJP	NA	NA
+PJ037436	GSTCHHR 	C30H48N14O10S	796.3399	NA	PeJP	NA	NA
+PJ037437	CLMHFF 	C38H52N8O7S2	796.3401	NA	PeJP	NA	NA
+PJ037438	GNHHFW 	C38H44N12O8	796.3405	NA	PeJP	NA	NA
+PJ037439	GGGHHFW 	C38H44N12O8	796.3406	NA	PeJP	NA	NA
+PJ037440	SSSSLMW 	C34H52N8O12S	796.3426	NA	PeJP	NA	NA
+PJ037441	AAFYYY 	C42H48N6O10	796.3432	NA	PeJP	NA	NA
+PJ037442	AKMMMW 	C35H56N8O7S3	796.3434	NA	PeJP	NA	NA
+PJ037443	SCKHHW 	C35H48N12O8S	796.3439	NA	PeJP	NA	NA
+PJ037444	SSSSSTLE 	C30H52N8O17	796.3451	NA	PeJP	NA	NA
+PJ037445	GTTKEMM 	C31H56N8O12S2	796.3459	NA	PeJP	NA	NA
+7553	ACE inhibitor	CWLPVY	796.346	antioxidative	Inhouse_peptide	NA	peptide
+PJ037446	GSSNNRY 	C31H48N12O13	796.3464	NA	PeJP	NA	NA
+PJ037447	GGGGGGGGGAPP 	C31H48N12O13	796.3465	NA	PeJP	NA	NA
+PJ037448	PCCRRY 	C32H52N12O8S2	796.3473	NA	PeJP	NA	NA
+PJ037449	CFRWW 	C40H48N10O6S	796.3479	NA	PeJP	NA	NA
+PJ037450	GSERYW 	C36H48N10O11	796.3504	NA	PeJP	NA	NA
+PJ037451	GGGGGAQFF 	C36H48N10O11	796.3505	NA	PeJP	NA	NA
+PJ037452	TCMMRR 	C29H56N12O8S3	796.3507	NA	PeJP	NA	NA
+PJ037453	AQEMRY 	C33H52N10O11S	796.3538	NA	PeJP	NA	NA
+PJ037454	DKYWW 	C41H48N8O9	796.3544	NA	PeJP	NA	NA
+PJ037455	GSVYWW 	C41H48N8O9	796.3545	NA	PeJP	NA	NA
+PJ037456	VMHHHH 	C34H48N14O7S	796.3552	NA	PeJP	NA	NA
+PJ037457	SSSSSSQK 	C29H52N10O16	796.3563	NA	PeJP	NA	NA
+PJ037458	GTTTMMR 	C30H56N10O11S2	796.3572	NA	PeJP	NA	NA
+PJ037459	SSSSHHR 	C30H48N14O12	796.3576	NA	PeJP	NA	NA
+PJ037460	GGGGQEHR 	C30H48N14O12	796.3577	NA	PeJP	NA	NA
+PJ037461	GLQMYW 	C38H52N8O9S	796.3578	NA	PeJP	NA	NA
+PJ037462	STTTTTW 	C34H52N8O14	796.3603	NA	PeJP	NA	NA
+PJ037463	TTKMMW 	C35H56N8O9S2	796.3612	NA	PeJP	NA	NA
+PJ037464	SPDHRW 	C35H48N12O10	796.3617	NA	PeJP	NA	NA
+PJ037465	STTTKEM 	C31H56N8O14S	796.3637	NA	PeJP	NA	NA
+PJ037466	PLEEFY 	C39H52N6O12	796.3643	NA	PeJP	NA	NA
+PJ037467	KKEMMM 	C32H60N8O9S3	796.3646	NA	PeJP	NA	NA
+PJ037468	GDMRRY 	C32H52N12O10S	796.365	NA	PeJP	NA	NA
+PJ037469	GGGGCKRY 	C32H52N12O10S	796.3651	NA	PeJP	NA	NA
+PJ037470	SRYWW 	C40H48N10O8	796.3657	NA	PeJP	NA	NA
+PJ037471	LLEEMY 	C36H56N6O12S	796.3677	NA	PeJP	NA	NA
+PJ037472	AAMRYW 	C37H52N10O8S	796.3691	NA	PeJP	NA	NA
+PJ037473	ASTNNKY 	C33H52N10O13	796.3715	NA	PeJP	NA	NA
+PJ037474	SDKERY 	C33H52N10O13	796.3716	NA	PeJP	NA	NA
+PJ037475	PCKMRY 	C34H56N10O8S2	796.3724	NA	PeJP	NA	NA
+PJ037476	GNQHRW 	C34H48N14O9	796.3729	NA	PeJP	NA	NA
+PJ037477	KMFWW 	C42H52N8O6S	796.3731	NA	PeJP	NA	NA
+PJ037478	STTTTMR 	C30H56N10O13S	796.3749	NA	PeJP	NA	NA
+PJ037479	ATKEYW 	C38H52N8O11	796.3756	NA	PeJP	NA	NA
+PJ037480	TKMMMR 	C31H60N10O8S3	796.3758	NA	PeJP	NA	NA
+PJ037481	PCEHRR 	C31H52N14O9S	796.3763	NA	PeJP	NA	NA
+PJ037482	GPTTKMY 	C35H56N8O11S	796.3789	NA	PeJP	NA	NA
+PJ037483	VQKEMY 	C35H56N8O11S	796.379	NA	PeJP	NA	NA
+PJ037484	APMHRW 	C36H52N12O7S	796.3803	NA	PeJP	NA	NA
+PJ037485	SSSTTTTL 	C31H56N8O16	796.3814	NA	PeJP	NA	NA
+PJ037486	SSTLKMM 	C32H60N8O11S2	796.3823	NA	PeJP	NA	NA
+PJ037487	SSERRY 	C32H52N12O12	796.3828	NA	PeJP	NA	NA
+PJ037488	GMMFRR 	C33H56N12O7S2	796.3837	NA	PeJP	NA	NA
+PJ037489	PNHHHR 	C33H48N16O8	796.3841	NA	PeJP	NA	NA
+PJ037490	GGPHHHR 	C33H48N16O8	796.3842	NA	PeJP	NA	NA
+PJ037491	ATTRYW 	C37H52N10O10	796.3868	NA	PeJP	NA	NA
+MJ094672	22,28-Epoxy-3,24,26,28-tetrahydroxystigmasta-8,14-dien-21,23-olide, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranoside] 	C40H60O16	796.388135	NA	MeJP	NA	NA
+PJ037492	AKEMRY 	C34H56N10O10S	796.3902	NA	PeJP	NA	NA
+PJ037493	GPKFYW 	C42H52N8O8	796.3908	NA	PeJP	NA	NA
+PJ037494	GGALFFW 	C42H52N8O8	796.3909	NA	PeJP	NA	NA
+MJ094673	Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-3-O-sulfo-?-L-arabinofuranoside] 	C37H64O16S	796.391506	NA	MeJP	NA	NA
+MJ094674	Cholestane-3,6,8,15,24-pentol, 24-O-[?-D-Xylopyranosyl-(1?2)-5-O-sulfo-?-L-arabinofuranoside] 	C37H64O16S	796.391506	NA	MeJP	NA	NA
+PJ037495	SSSSSSKK 	C30H56N10O15	796.3927	NA	PeJP	NA	NA
+PJ037496	STCCKKK 	C31H60N10O10S2	796.3936	NA	PeJP	NA	NA
+PJ037497	AEEHRR 	C31H52N14O11	796.394	NA	PeJP	NA	NA
+PJ037498	GGGGKEHR 	C31H52N14O11	796.3941	NA	PeJP	NA	NA
+PJ037499	GLKMYW 	C39H56N8O8S	796.3942	NA	PeJP	NA	NA
+PJ037500	TKKEEY 	C35H56N8O13	796.3967	NA	PeJP	NA	NA
+PJ037501	PKKMMY 	C36H60N8O8S2	796.3976	NA	PeJP	NA	NA
+PJ037502	GLEHRW 	C36H52N12O9	796.3981	NA	PeJP	NA	NA
+PJ037503	PLLEYY 	C40H56N6O11	796.4007	NA	PeJP	NA	NA
+PJ037504	ATMRRY 	C33H56N12O9S	796.4014	NA	PeJP	NA	NA
+PJ037505	GVLHWW 	C41H52N10O7	796.4021	NA	PeJP	NA	NA
+MJ094675	Vinblastine; N-De-Me 	C45H56N4O9	796.404729	NA	MeJP	NA	NA
+PJ037506	SNQHRR 	C30H52N16O10	796.4053	NA	PeJP	NA	NA
+PJ037507	PVKMHW 	C38H56N10O7S	796.4055	NA	PeJP	NA	NA
+PJ037508	TTKERY 	C34H56N10O12	796.4079	NA	PeJP	NA	NA
+PJ037509	GGGSTKKY 	C34H56N10O12	796.408	NA	PeJP	NA	NA
+PJ037510	CLKMFR 	C35H60N10O7S2	796.4088	NA	PeJP	NA	NA
+PJ037511	GNKHRW 	C35H52N14O8	796.4093	NA	PeJP	NA	NA
+PJ037512	STLKYW 	C39H56N8O10	796.412	NA	PeJP	NA	NA
+PJ037513	PTMHRR 	C32H56N14O8S	796.4127	NA	PeJP	NA	NA
+PJ037514	LHRWW 	C40H52N12O6	796.4133	NA	PeJP	NA	NA
+MJ094676	Mocimycin 	C43H60N2O12	796.414625	NA	MeJP	NA	NA
+PJ037515	VKKEMY 	C36H60N8O10S	796.4153	NA	PeJP	NA	NA
+PJ037516	PPPVKEM 	C36H60N8O10S	796.4154	NA	PeJP	NA	NA
+MJ094677	3,27-Dihydroxy-12-oleanen-28-oic acid, 3,27-Bis(3,4-dihydroxycinnamoyl)(E-) 	C48H60O10	796.418648	NA	MeJP	NA	NA
+PJ037517	TTTRRY 	C33H56N12O11	796.4192	NA	PeJP	NA	NA
+PJ037518	PPLERW 	C38H56N10O9	796.4232	NA	PeJP	NA	NA
+C08861	Diginatin	C41H64O15	796.4245	NA	KEGG	NA	NA
+MJ094678	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 30-Carboxylic acid, 28?22-lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-?-D-glucopyranoside] 	C41H64O15	796.424521	NA	MeJP	NA	NA
+MJ094679	2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-L-arabinopyranosyl(1?6)-?-D-glucopyranoside] 	C41H64O15	796.424521	NA	MeJP	NA	NA
+MJ094680	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C41H64O15	796.424521	NA	MeJP	NA	NA
+MJ094681	Dendrosterone; Gentiobioside 	C41H64O15	796.424521	NA	MeJP	NA	NA
+PJ037519	SLKMRY 	C35H60N10O9S	796.4266	NA	PeJP	NA	NA
+PJ037520	PPVLWW 	C43H56N8O7	796.4272	NA	PeJP	NA	NA
+PJ037521	SLEHRR 	C32H56N14O10	796.4304	NA	PeJP	NA	NA
+MJ094682	Bottromycin B1 	C40H60N8O7S	796.430567	NA	MeJP	NA	NA
+PJ037522	PKKMFF 	C40H60N8O7S	796.4306	NA	PeJP	NA	NA
+3711	NA	SSRDRNKPFKFVL	796.4319	MH2+	Inhouse_peptide	NA	peptide
+PJ037523	SSSLLKY 	C36H60N8O12	796.4331	NA	PeJP	NA	NA
+PJ037524	LKKMMF 	C37H64N8O7S2	796.434	NA	PeJP	NA	NA
+PJ037525	SVLHRW 	C37H56N12O8	796.4344	NA	PeJP	NA	NA
+PJ037526	GGPPKRW 	C37H56N12O8	796.4345	NA	PeJP	NA	NA
+PJ037527	LLLEFY 	C41H60N6O10	796.4371	NA	PeJP	NA	NA
+PJ037528	LLQMHR 	C34H60N12O8S	796.4378	NA	PeJP	NA	NA
+PJ037529	SNKHRR 	C31H56N16O9	796.4417	NA	PeJP	NA	NA
+PJ037530	GSSKKKY 	C35H60N10O11	796.4443	NA	PeJP	NA	NA
+PJ037531	GAAPPKKE 	C35H60N10O11	796.4444	NA	PeJP	NA	NA
+PJ037532	FRRRY 	C36H56N14O7	796.4457	NA	PeJP	NA	NA
+PJ037533	VLQKFY 	C40H60N8O9	796.4483	NA	PeJP	NA	NA
+PJ037534	APPTLLW 	C40H60N8O9	796.4484	NA	PeJP	NA	NA
+PJ037535	CLLHRR 	C33H60N14O7S	796.449	NA	PeJP	NA	NA
+PJ037536	VVMHRR 	C33H60N14O7S	796.4491	NA	PeJP	NA	NA
+PJ037537	PPVLLQM 	C37H64N8O9S	796.4517	NA	PeJP	NA	NA
+MJ094683	Edeine; Edeine B1 	C34H60N12O10	796.455536	NA	MeJP	NA	NA
+PJ037538	GTTLLHR 	C34H60N12O10	796.4556	NA	PeJP	NA	NA
+PJ037539	TLLKHW 	C39H60N10O8	796.4596	NA	PeJP	NA	NA
+MJ094684	11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094685	12-Oleanene-3,11,16,23,28-pentol, 11-Ketone, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094686	12-Oleanene-3,16,28-triol, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranoside 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094687	12-Oleanene-3,22,24-triol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094688	12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094689	13,28-Epoxy-11-oleanene-3,16,21,23-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094690	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094691	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094692	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094693	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094694	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094695	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094696	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094697	2,3-Dihydroxy-12-oleanen-28-oic acid, [?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094698	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094699	20,24-Epoxy-3,25-dihydroxy-5-cucurbiten-11-one, 3,25-Di-O-?-D-glucopyranoside 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094700	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Xylopyranoside, 3-O-(2-O-acetyl-?-D-xylopyranoside) 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094701	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094702	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094703	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094704	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094705	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094706	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094707	3,20,26-Trihydroxycucurbita-5,24-dien-11-one, 3,26-Di-O-?-D-glucopyranoside 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094708	3,22,24-Trihydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094709	3,6,16-Trihydroxycycloart-25-en-24-one, 3,16-Di-O-?-D-glucopyranoside 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094710	Gouanogenin B; 3-[O-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094711	Hederagenin 28-glycosyl esters; 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094712	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094713	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094714	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094715	Hovenolactone; 3-O-(2-O-?-L-Rhamnopyranosyl-?-D-glucopyranoside) 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094716	Mabiogenin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+MJ094717	Trevoagenin D; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C42H68O14	796.460906	NA	MeJP	NA	NA
+PJ037540	CKKKKY 	C36H64N10O8S	796.463	NA	PeJP	NA	NA
+PJ037541	GSPPKRR 	C33H60N14O9	796.4668	NA	PeJP	NA	NA
+PJ037542	PPTLLKE 	C37H64N8O11	796.4695	NA	PeJP	NA	NA
+PJ037543	AKKKHW 	C38H60N12O7	796.4708	NA	PeJP	NA	NA
+PJ037544	LLLLYY 	C42H64N6O9	796.4735	NA	PeJP	NA	NA
+PJ037545	LLKMHR 	C35H64N12O7S	796.4742	NA	PeJP	NA	NA
+PJ037546	PVNRRR 	C32H60N16O8	796.478	NA	PeJP	NA	NA
+PJ037547	GGPVRRR 	C32H60N16O8	796.4781	NA	PeJP	NA	NA
+PJ037548	GPLLLER 	C36H64N10O10	796.4807	NA	PeJP	NA	NA
+MJ094718	Amidomycin 	C40H68N4O12	796.483373	NA	MeJP	NA	NA
+PJ037549	VLKKFY 	C41H64N8O8	796.4847	NA	PeJP	NA	NA
+PJ037550	GPVLLLW 	C41H64N8O8	796.4848	NA	PeJP	NA	NA
+PJ037551	PPVLLKM 	C38H68N8O8S	796.4881	NA	PeJP	NA	NA
+PJ037552	GPRRRR 	C31H60N18O7	796.4893	NA	PeJP	NA	NA
+PJ037553	APPTKKR 	C35H64N12O9	796.492	NA	PeJP	NA	NA
+PJ037554	PLLLRW 	C40H64N10O7	796.496	NA	PeJP	NA	NA
+MJ094719	12-Oleanene-3,11,16,28-tetrol, 11-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C43H72O13	796.497292	NA	MeJP	NA	NA
+MJ094720	20,24-Epoxydammarane-3,12,25-triol, 3-O-(5-O-Acetyl-?-L-arabinopyranoside), 12-O-?-L-rhamnopyranoside 	C43H72O13	796.497292	NA	MeJP	NA	NA
+MJ094721	3,14,21-Trihydroxypregnan-20-one, 3-O-[?-D-Diginopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside], 21-Me ether 	C43H72O13	796.497292	NA	MeJP	NA	NA
+MJ094722	Bafilomycin A1; O19-Me, O21-(2-O-methyl-?-L-rhamnopyranoside) 	C43H72O13	796.497292	NA	MeJP	NA	NA
+MJ094723	Dolabelide B; 11-Ac 	C43H72O13	796.497292	NA	MeJP	NA	NA
+MJ094724	Dolabelide D; 7,11-Di-Ac 	C43H72O13	796.497292	NA	MeJP	NA	NA
+PJ037555	PLQKRR 	C34H64N14O8	796.5032	NA	PeJP	NA	NA
+PJ037556	PVVLLKE 	C38H68N8O10	796.5059	NA	PeJP	NA	NA
+MJ094725	1,2-Di-O-acylglycerols; Glycerol 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoate) 2-(6Z,9Z,12Z,15Zoctadecateraenoate), 3-O-?-D-Galactopyranoside (2R-) 	C47H72O10	796.512548	NA	MeJP	NA	NA
+MJ094726	Osirisyne A; 19-Deoxo, 21-oxo, 31-deoxy 	C47H72O10	796.512548	NA	MeJP	NA	NA
+MJ094727	Osirisyne A; 31-Deoxy 	C47H72O10	796.512548	NA	MeJP	NA	NA
+MJ094728	Osirisyne E 	C47H72O10	796.512548	NA	MeJP	NA	NA
+PJ037557	SPVLLLR 	C37H68N10O9	796.5171	NA	PeJP	NA	NA
+HMDB10582	PG(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+HMDB10583	PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+HMDB10596	PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+HMDB10625	PG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+HMDB10640	PG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+HMDB10653	PG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+HMDB10654	PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C44H77O10P	796.525452	NA	HMDB2010	NA	NA
+PJ037558	GPVLKKR 	C36H68N12O8	796.5283	NA	PeJP	NA	NA
+MJ094729	Bovine seminolipid 	C41H80O12S	796.537048	NA	MeJP	NA	NA
+PJ037559	PLKKRR 	C35H68N14O7	796.5396	NA	PeJP	NA	NA
+PJ037560	PTLLLLK 	C39H72N8O9	796.5423	NA	PeJP	NA	NA
+PJ037561	GLLLLLR 	C38H72N10O8	796.5535	NA	PeJP	NA	NA
+MJ094730	Siphonaxanthin; 6'-Hydroxy, 19-O-(2E-dodecenoyl) 	C52H76O6	796.56419	NA	MeJP	NA	NA
+PJ037562	VVLLLLK 	C40H76N8O8	796.5786	NA	PeJP	NA	NA
+MJ094731	Coenzyme Q; Coenzyme Q9, 34',35'-Dihydro 	C54H84O4	796.636961	NA	MeJP	NA	NA
+MJ094732	1-Triacontanol; Hexacosanoyl 	C56H92O2	796.709732	NA	MeJP	NA	NA
+MJ094733	9,10-Secostigmasta-5,9(11)-dien-3-ol, 3-(7,16-Dihydroxytetracosanoyl) 	C53H96O4	796.730861	NA	MeJP	NA	NA
+MJ094734	Cericerol II; 2Z,6Z-Isomer, 24-(28-hydroxyoctacosanoyl) 	C53H96O4	796.730861	NA	MeJP	NA	NA
+7063	coeliac toxic peptide	QQPFQQQQQPLPQ	796.886	MH2+	Inhouse_peptide	NA	peptide
+PJ037563	CCCCDDH 	C26H39N9O12S4	797.1601	NA	PeJP	NA	NA
+PJ037564	TCCCCCY 	C28H43N7O10S5	797.1675	NA	PeJP	NA	NA
+PJ037565	CCNNDDD 	C26H39N9O16S2	797.1957	NA	PeJP	NA	NA
+PJ037566	SCCCDMH 	C27H43N9O11S4	797.1965	NA	PeJP	NA	NA
+PJ037567	GCCCCFY 	C32H43N7O9S4	797.2005	NA	PeJP	NA	NA
+PJ037568	SCDDDDE 	C27H39N7O19S	797.2022	NA	PeJP	NA	NA
+PJ037569	PCCDDDM 	C28H43N7O14S3	797.2031	NA	PeJP	NA	NA
+PJ037570	GSPCCCND 	C27H43N9O13S3	797.2143	NA	PeJP	NA	NA
+PJ037571	ACCCMMH 	C28H47N9O8S5	797.2152	NA	PeJP	NA	NA
+PJ037572	GSCCCYY 	C32H43N7O11S3	797.2183	NA	PeJP	NA	NA
+PJ037573	GDDDDMM 	C28H43N7O16S2	797.2208	NA	PeJP	NA	NA
+PJ037574	CCCNNNQ 	C26H43N11O12S3	797.2255	NA	PeJP	NA	NA
+PJ037575	GCCCEHF 	C31H43N9O10S3	797.2295	NA	PeJP	NA	NA
+PJ037576	SCNNDDM 	C27H43N9O15S2	797.232	NA	PeJP	NA	NA
+MJ094735	Victorin M 	C31H46Cl3N7O11	797.232088	NA	MeJP	NA	NA
+PJ037577	GGGGSCDDM 	C27H43N9O15S2	797.2321	NA	PeJP	NA	NA
+PJ037578	SSCCMMH 	C28H47N9O10S4	797.2329	NA	PeJP	NA	NA
+PJ037579	GDDDDDF 	C31H39N7O18	797.2352	NA	PeJP	NA	NA
+PJ037580	CDDEMW 	C32H43N7O13S2	797.2361	NA	PeJP	NA	NA
+PJ037581	SSDDDEM 	C28H43N7O18S	797.2386	NA	PeJP	NA	NA
+PJ037582	SPCDDMM 	C29H47N7O13S3	797.2394	NA	PeJP	NA	NA
+PJ037583	GCDDDHH 	C29H39N11O14S	797.2399	NA	PeJP	NA	NA
+PJ037584	GSSCCNNN 	C26H43N11O14S2	797.2433	NA	PeJP	NA	NA
+PJ037585	PCCCCNR 	C27H47N11O9S4	797.2441	NA	PeJP	NA	NA
+PJ037586	GGPCCCCR 	C27H47N11O9S4	797.2442	NA	PeJP	NA	NA
+PJ037587	CCCHFW 	C35H43N9O7S3	797.2448	NA	PeJP	NA	NA
+MJ094736	Antibiotic FCE 21424; 2''-Thioxo analogue 	C38H43N3O14S	797.246573	NA	MeJP	NA	NA
+PJ037588	GSCCNEW 	C31H43N9O12S2	797.2473	NA	PeJP	NA	NA
+PJ037589	GSSSCNDE 	C27H43N9O17S	797.2498	NA	PeJP	NA	NA
+7773	phosphophoryn biomimetic peptide	DDPNDSSDESNGNDD	797.25055	MH2+	Inhouse_peptide	NA	peptide
+PJ037590	GCNNEMM 	C28H47N9O12S3	797.2507	NA	PeJP	NA	NA
+MJ094737	Tetraglycylferrichrome 	C29H45FeN10O13	797.251698	NA	MeJP	NA	NA
+MJ094738	Chrymutin; O-[3-O-Methyl-?-D-fucopyranosyl-(1?2)-?-D-fucopyranosyl-(1?2)-?-D-fucopyranoside] 	C39H43NO17	797.253098	NA	MeJP	NA	NA
+MJ094739	Perdeacylwilfortrine; 8-Ketone, 2-benzoyl, 1,9,14-tri-Ac 	C39H43NO17	797.253098	NA	MeJP	NA	NA
+PJ037591	GPCDDEY 	C32H43N7O15S	797.2538	NA	PeJP	NA	NA
+PJ037592	PPCCCEF 	C33H47N7O10S3	797.2547	NA	PeJP	NA	NA
+PJ037593	GSDEEMM 	C29H47N7O15S2	797.2572	NA	PeJP	NA	NA
+PJ037594	GPCEMMM 	C30H51N7O10S4	797.2581	NA	PeJP	NA	NA
+PJ037595	SPCCDHH 	C30H43N11O11S2	797.2585	NA	PeJP	NA	NA
+PJ037596	GCCNDMR 	C27H47N11O11S3	797.2619	NA	PeJP	NA	NA
+PJ037597	SCCNWW 	C35H43N9O9S2	797.2625	NA	PeJP	NA	NA
+PJ037598	SSSCNDW 	C31H43N9O14S	797.265	NA	PeJP	NA	NA
+PJ037599	GGSSSCDW 	C31H43N9O14S	797.2651	NA	PeJP	NA	NA
+PJ037600	CNNMMW 	C32H47N9O9S3	797.2659	NA	PeJP	NA	NA
+PJ037601	SSSSSNDD 	C27H43N9O19	797.2675	NA	PeJP	NA	NA
+PJ037602	SSNNDMM 	C28H47N9O14S2	797.2684	NA	PeJP	NA	NA
+PJ037603	PCDDYW 	C36H43N7O12S	797.2691	NA	PeJP	NA	NA
+PJ037604	PCCCNKM 	C29H51N9O9S4	797.2693	NA	PeJP	NA	NA
+PJ037605	GCCNQHH 	C29H43N13O10S2	797.2698	NA	PeJP	NA	NA
+PJ037606	NDEEEY 	C32H43N7O17	797.2716	NA	PeJP	NA	NA
+PJ037607	SDEMMW 	C33H47N7O12S2	797.2724	NA	PeJP	NA	NA
+PJ037608	PCMMMW 	C34H51N7O7S4	797.2733	NA	PeJP	NA	NA
+PJ037609	SSSEEEM 	C29H47N7O17S	797.2749	NA	PeJP	NA	NA
+PJ037610	QEEMMM 	C30H51N7O12S3	797.2758	NA	PeJP	NA	NA
+PJ037611	GCNNNNY 	C30H43N11O13S	797.2763	NA	PeJP	NA	NA
+PJ037612	CCCQRW 	C31H47N11O8S3	797.2772	NA	PeJP	NA	NA
+PJ037613	SSCCNER 	C27H47N11O13S2	797.2796	NA	PeJP	NA	NA
+PJ037614	GGSSCCER 	C27H47N11O13S2	797.2797	NA	PeJP	NA	NA
+PJ037615	CNNDFW 	C35H43N9O11S	797.2803	NA	PeJP	NA	NA
+PJ037616	DDDDRY 	C31H43N9O16	797.2828	NA	PeJP	NA	NA
+PJ037617	GSSCQMW 	C32H47N9O11S2	797.2837	NA	PeJP	NA	NA
+PJ037618	GSSSSNEM 	C28H47N9O16S	797.2862	NA	PeJP	NA	NA
+PJ037619	GDEEYW 	C36H43N7O14	797.2868	NA	PeJP	NA	NA
+PJ037620	DDMMMR 	C29H51N9O11S3	797.287	NA	PeJP	NA	NA
+PJ037621	GGGSQMMM 	C29H51N9O11S3	797.2871	NA	PeJP	NA	NA
+PJ037622	SSCNNHH 	C29H43N13O12S	797.2875	NA	PeJP	NA	NA
+PJ037623	PCDMFW 	C37H47N7O9S2	797.2877	NA	PeJP	NA	NA
+PJ037624	GSPDEMY 	C33H47N7O14S	797.2902	NA	PeJP	NA	NA
+PJ037625	AEMMMW 	C34H51N7O9S3	797.2911	NA	PeJP	NA	NA
+PJ037626	SCEHHW 	C34H43N11O10S	797.2915	NA	PeJP	NA	NA
+PJ037627	GTTEEMM 	C30H51N7O14S2	797.2936	NA	PeJP	NA	NA
+PJ037628	SSSDEHH 	C30H43N11O15	797.294	NA	PeJP	NA	NA
+PJ037629	GGSPNDDH 	C30H43N11O15	797.2941	NA	PeJP	NA	NA
+PJ037630	GPTMMMM 	C31H55N7O9S4	797.2944	NA	PeJP	NA	NA
+PJ037631	GSSCCRW 	C31H47N11O10S2	797.2949	NA	PeJP	NA	NA
+C18136	2''-Adenylylgentamicin A	C28H48N9O16P	797.2957	NA	KEGG	NA	NA
+PJ037632	GSSSSCDR 	C27H47N11O15S	797.2974	NA	PeJP	NA	NA
+PJ037633	SNNDYW 	C35H43N9O13	797.2981	NA	PeJP	NA	NA
+PJ037634	GSCNMMR 	C28H51N11O10S3	797.2983	NA	PeJP	NA	NA
+PJ037635	CNMHFF 	C36H47N9O8S2	797.2989	NA	PeJP	NA	NA
+PJ037636	SSSSNMW 	C32H47N9O13S	797.3014	NA	PeJP	NA	NA
+PJ037637	GGGGGAEMY 	C32H47N9O13S	797.3015	NA	PeJP	NA	NA
+MJ094740	Des(diserylglycyl)ferrirhodin 	C33H53FeN6O13	797.302002	NA	MeJP	NA	NA
+PJ037638	DEYWW 	C40H43N7O11	797.3021	NA	PeJP	NA	NA
+PJ037639	CCQKMW 	C33H51N9O8S3	797.3023	NA	PeJP	NA	NA
+PJ037640	SSSSSSQE 	C28H47N9O18	797.3039	NA	PeJP	NA	NA
+PJ037641	SSSQQMM 	C29H51N9O13S2	797.3048	NA	PeJP	NA	NA
+PJ037642	GNNNNEH 	C29H43N13O14	797.3053	NA	PeJP	NA	NA
+PJ037643	SPDMYW 	C37H47N7O11S	797.3054	NA	PeJP	NA	NA
+PJ037644	PTCEYW 	C37H47N7O11S	797.3055	NA	PeJP	NA	NA
+PJ037645	GCCNKHH 	C30H47N13O9S2	797.3061	NA	PeJP	NA	NA
+PJ037646	CDMHHR 	C30H47N13O9S2	797.3062	NA	PeJP	NA	NA
+PJ037647	SSSPEEY 	C33H47N7O16	797.3079	NA	PeJP	NA	NA
+PJ037648	TQEEEY 	C33H47N7O16	797.308	NA	PeJP	NA	NA
+PJ037649	TTEMMW 	C34H51N7O11S2	797.3088	NA	PeJP	NA	NA
+PJ037650	NDEHHF 	C34H43N11O12	797.3093	NA	PeJP	NA	NA
+PJ037651	GTCCCRR 	C27H51N13O9S3	797.3095	NA	PeJP	NA	NA
+PJ037652	GMMHHW 	C35H47N11O7S2	797.3102	NA	PeJP	NA	NA
+PJ037653	STTTEEM 	C30H51N7O16S	797.3113	NA	PeJP	NA	NA
+PJ037654	KEEMMM 	C31H55N7O11S3	797.3122	NA	PeJP	NA	NA
+PJ037655	CNNERY 	C31H47N11O12S	797.3127	NA	PeJP	NA	NA
+PJ037656	CCCKRW 	C32H51N11O7S3	797.3135	NA	PeJP	NA	NA
+PJ037657	CQHHHH 	C32H43N15O8S	797.314	NA	PeJP	NA	NA
+PJ037658	SSSCQMR 	C28H51N11O12S2	797.316	NA	PeJP	NA	NA
+PJ037659	GNQMYW 	C36H47N9O10S	797.3167	NA	PeJP	NA	NA
+PJ037660	GSSSSSTW 	C32H47N9O15	797.3192	NA	PeJP	NA	NA
+PJ037661	GSSCKMW 	C33H51N9O10S2	797.3201	NA	PeJP	NA	NA
+PJ037662	NNNNHW 	C33H43N13O11	797.3205	NA	PeJP	NA	NA
+PJ037663	GGGGGGNHW 	C33H43N13O11	797.3206	NA	PeJP	NA	NA
+PJ037664	EMFWW 	C41H47N7O8S	797.3207	NA	PeJP	NA	NA
+PJ037665	GSSSSDKM 	C29H51N9O15S	797.3226	NA	PeJP	NA	NA
+PJ037666	ATEEYW 	C37H47N7O13	797.3232	NA	PeJP	NA	NA
+PJ037667	TEMMMR 	C30H55N9O10S3	797.3234	NA	PeJP	NA	NA
+PJ037668	GPCNDHR 	C30H47N13O11S	797.3239	NA	PeJP	NA	NA
+PJ037669	APMMYW 	C38H51N7O8S2	797.3241	NA	PeJP	NA	NA
+PJ037670	GDHHFW 	C38H43N11O9	797.3246	NA	PeJP	NA	NA
+MJ094741	Aclacinomycin A; N-De-Me 	C41H51NO15	797.325869	NA	MeJP	NA	NA
+MJ094742	Auramycin A 	C41H51NO15	797.325869	NA	MeJP	NA	NA
+PJ037671	VQEEMY 	C34H51N7O13S	797.3266	NA	PeJP	NA	NA
+PJ037672	SSSCCRR 	C27H51N13O11S2	797.3273	NA	PeJP	NA	NA
+PJ037673	SLMMMW 	C35H55N7O8S3	797.3274	NA	PeJP	NA	NA
+PJ037674	VTMMMW 	C35H55N7O8S3	797.3275	NA	PeJP	NA	NA
+PJ037675	GCNRYW 	C35H47N11O9S	797.3279	NA	PeJP	NA	NA
+PJ037676	SSTLEMM 	C31H55N7O13S2	797.3299	NA	PeJP	NA	NA
+PJ037677	TTTCLEM 	C31H55N7O13S2	797.33	NA	PeJP	NA	NA
+PJ037678	GSSNDRY 	C31H47N11O14	797.3304	NA	PeJP	NA	NA
+PJ037679	GGGGGGPPNE 	C31H47N11O14	797.3305	NA	PeJP	NA	NA
+PJ037680	AALMMMM 	C32H59N7O8S4	797.3308	NA	PeJP	NA	NA
+PJ037681	CNQMFR 	C32H51N11O9S2	797.3313	NA	PeJP	NA	NA
+PJ037682	GSSHHHH 	C32H43N15O10	797.3318	NA	PeJP	NA	NA
+PJ037683	GSSSSSMR 	C28H51N11O14S	797.3338	NA	PeJP	NA	NA
+PJ037684	SSQQYW 	C36H47N9O12	797.3344	NA	PeJP	NA	NA
+PJ037685	GGGGTTYW 	C36H47N9O12	797.3345	NA	PeJP	NA	NA
+PJ037686	GTCCKMR 	C29H55N11O9S3	797.3347	NA	PeJP	NA	NA
+PJ037687	PPMMHW 	C37H51N9O7S2	797.3353	NA	PeJP	NA	NA
+PJ037688	SSSTCKW 	C33H51N9O12S	797.3378	NA	PeJP	NA	NA
+PJ037689	GPEFYW 	C41H47N7O10	797.3385	NA	PeJP	NA	NA
+PJ037690	CCKKMW 	C34H55N9O7S3	797.3387	NA	PeJP	NA	NA
+PJ037691	APPCHHH 	C34H47N13O8S	797.3392	NA	PeJP	NA	NA
+PJ037692	SSSSSSKE 	C29H51N9O17	797.3403	NA	PeJP	NA	NA
+PJ037693	SSSQKMM 	C30H55N9O12S2	797.3412	NA	PeJP	NA	NA
+PJ037694	ATNNNQH 	C30H47N13O13	797.3416	NA	PeJP	NA	NA
+PJ037695	NNEEHR 	C30H47N13O13	797.3417	NA	PeJP	NA	NA
+PJ037696	GLEMYW 	C38H51N7O10S	797.3418	NA	PeJP	NA	NA
+PJ037697	GAPEMFF 	C38H51N7O10S	797.3419	NA	PeJP	NA	NA
+PJ037698	VMMMMR 	C31H59N9O7S4	797.3421	NA	PeJP	NA	NA
+PJ037699	CCNFRR 	C31H51N13O8S2	797.3425	NA	PeJP	NA	NA
+PJ037700	TKEEEY 	C34H51N7O15	797.3443	NA	PeJP	NA	NA
+PJ037701	PPPTEEE 	C34H51N7O15	797.3444	NA	PeJP	NA	NA
+PJ037702	PKEMMY 	C35H55N7O10S2	797.3452	NA	PeJP	NA	NA
+PJ037703	AQQEHW 	C35H47N11O11	797.3457	NA	PeJP	NA	NA
+PJ037704	ATTLMMM 	C32H59N7O10S3	797.3486	NA	PeJP	NA	NA
+PJ037705	SNQMRY 	C32H51N11O11S	797.349	NA	PeJP	NA	NA
+PJ037706	GGSQMRY 	C32H51N11O11S	797.3491	NA	PeJP	NA	NA
+PJ037707	GNQFFW 	C40H47N9O9	797.3497	NA	PeJP	NA	NA
+PJ037708	CKHHHH 	C33H47N15O7S	797.3504	NA	PeJP	NA	NA
+PJ037709	SSSSSSTR 	C28H51N11O16	797.3515	NA	PeJP	NA	NA
+PJ037710	SSSCKMR 	C29H55N11O11S2	797.3524	NA	PeJP	NA	NA
+PJ037711	GSNNNHR 	C29H47N15O12	797.3529	NA	PeJP	NA	NA
+PJ037712	GNKMYW 	C37H51N9O9S	797.3531	NA	PeJP	NA	NA
+PJ037713	PFYWW 	C45H47N7O7	797.3537	NA	PeJP	NA	NA
+PJ037714	TTEERY 	C33H51N9O14	797.3556	NA	PeJP	NA	NA
+PJ037715	PTMMRY 	C34H55N9O9S2	797.3564	NA	PeJP	NA	NA
+PJ037716	VDMMFR 	C34H55N9O9S2	797.3565	NA	PeJP	NA	NA
+PJ037717	GNEHRW 	C34H47N13O10	797.3569	NA	PeJP	NA	NA
+PJ037718	LMYWW 	C42H51N7O7S	797.3571	NA	PeJP	NA	NA
+PJ037719	GSSSTTKM 	C30H55N9O14S	797.3589	NA	PeJP	NA	NA
+PJ037720	STLEYW 	C38H51N7O12	797.3596	NA	PeJP	NA	NA
+PJ037721	GTCKKMM 	C31H59N9O9S3	797.3598	NA	PeJP	NA	NA
+PJ037722	SCNRRY 	C31H51N13O10S	797.3603	NA	PeJP	NA	NA
+PJ037723	ALMMFW 	C39H55N7O7S2	797.3605	NA	PeJP	NA	NA
+PJ037724	AAQHWW 	C39H47N11O8	797.3609	NA	PeJP	NA	NA
+PJ037725	GGGVHWW 	C39H47N11O8	797.361	NA	PeJP	NA	NA
+PJ037726	VKEEMY 	C35H55N7O12S	797.363	NA	PeJP	NA	NA
+PJ037727	PCQKHW 	C36H51N11O8S	797.3643	NA	PeJP	NA	NA
+PJ037728	TTTTLMM 	C32H59N7O12S2	797.3663	NA	PeJP	NA	NA
+PJ037729	GSSTQRY 	C32H51N11O13	797.3668	NA	PeJP	NA	NA
+PJ037730	CNKMFR 	C33H55N11O8S2	797.3677	NA	PeJP	NA	NA
+PJ037731	PDHHHR 	C33H47N15O9	797.3682	NA	PeJP	NA	NA
+PJ037732	SSQKYW 	C37H51N9O11	797.3708	NA	PeJP	NA	NA
+PJ037733	GGGPPVEW 	C37H51N9O11	797.3709	NA	PeJP	NA	NA
+PJ037734	NHRWW 	C38H47N13O7	797.3722	NA	PeJP	NA	NA
+PJ037735	SLEMRY 	C34H55N9O11S	797.3742	NA	PeJP	NA	NA
+PJ037736	APVYYW 	C42H51N7O9	797.3748	NA	PeJP	NA	NA
+PJ037737	GPLYYW 	C42H51N7O9	797.3749	NA	PeJP	NA	NA
+PJ037738	AMHHFR 	C35H51N13O7S	797.3756	NA	PeJP	NA	NA
+PJ037739	SSSSTTTK 	C30H55N9O16	797.3767	NA	PeJP	NA	NA
+PJ037740	SSSKKMM 	C31H59N9O11S2	797.3776	NA	PeJP	NA	NA
+PJ037741	TQQEHR 	C31H51N13O12	797.378	NA	PeJP	NA	NA
+PJ037742	NDKEHR 	C31H51N13O12	797.3781	NA	PeJP	NA	NA
+PJ037743	SVLMYW 	C39H55N7O9S	797.3782	NA	PeJP	NA	NA
+PJ037744	SSSLLEY 	C35H55N7O14	797.3807	NA	PeJP	NA	NA
+PJ037745	LLQMMY 	C36H59N7O9S2	797.3816	NA	PeJP	NA	NA
+PJ037746	PPNERW 	C36H51N11O10	797.3821	NA	PeJP	NA	NA
+PJ037747	SNKMRY 	C33H55N11O10S	797.3854	NA	PeJP	NA	NA
+PJ037748	GGSPPPMR 	C33H55N11O10S	797.3855	NA	PeJP	NA	NA
+PJ037749	PPVNWW 	C41H51N9O8	797.3861	NA	PeJP	NA	NA
+PJ037750	SNEHRR 	C30H51N15O11	797.3893	NA	PeJP	NA	NA
+PJ037751	ACKKYW 	C38H55N9O8S	797.3895	NA	PeJP	NA	NA
+PJ037752	LFFWW 	C46H51N7O6	797.3901	NA	PeJP	NA	NA
+PJ037753	GTTTQKY 	C34H55N9O13	797.3919	NA	PeJP	NA	NA
+PJ037754	GSSKKEY 	C34H55N9O13	797.392	NA	PeJP	NA	NA
+PJ037755	VVMMRY 	C35H59N9O8S2	797.3928	NA	PeJP	NA	NA
+PJ037756	GDKHRW 	C35H51N13O9	797.3933	NA	PeJP	NA	NA
+PJ037757	PVKEYY 	C39H55N7O11	797.396	NA	PeJP	NA	NA
+PJ037758	VQQMHR 	C32H55N13O9S	797.3967	NA	PeJP	NA	NA
+PJ037759	GPPRWW 	C40H51N11O7	797.3973	NA	PeJP	NA	NA
+PJ037760	ASTLLMY 	C36H59N7O11S	797.3993	NA	PeJP	NA	NA
+PJ037761	GTTLLMY 	C36H59N7O11S	797.3994	NA	PeJP	NA	NA
+PJ037762	PCKKHW 	C37H55N11O7S	797.4007	NA	PeJP	NA	NA
+PJ037763	GSSTKRY 	C33H55N11O12	797.4032	NA	PeJP	NA	NA
+PJ037764	GSHRRW 	C34H51N15O8	797.4045	NA	PeJP	NA	NA
+PJ037765	SSKKYW 	C38H55N9O10	797.4072	NA	PeJP	NA	NA
+PJ037766	AQMHRR 	C31H55N15O8S	797.4079	NA	PeJP	NA	NA
+PJ037767	TQKKMY 	C35H59N9O10S	797.4106	NA	PeJP	NA	NA
+PJ037768	GLLFYW 	C43H55N7O8	797.4112	NA	PeJP	NA	NA
+PJ037769	GAPLFFF 	C43H55N7O8	797.4113	NA	PeJP	NA	NA
+PJ037770	GSPPERR 	C32H55N13O11	797.4144	NA	PeJP	NA	NA
+PJ037771	GGGGGPLQR 	C32H55N13O11	797.4145	NA	PeJP	NA	NA
+PJ037772	PLKMFY 	C40H59N7O8S	797.4146	NA	PeJP	NA	NA
+PJ037773	STTTLLY 	C36H59N7O13	797.4171	NA	PeJP	NA	NA
+PJ037774	LLKMMY 	C37H63N7O8S2	797.418	NA	PeJP	NA	NA
+PJ037775	PPDKRW 	C37H55N11O9	797.4185	NA	PeJP	NA	NA
+PJ037776	ACHRRR 	C30H55N17O7S	797.4191	NA	PeJP	NA	NA
+PJ037777	TCKKRY 	C34H59N11O9S	797.4218	NA	PeJP	NA	NA
+PJ037778	PVLHFW 	C42H55N9O7	797.4225	NA	PeJP	NA	NA
+MJ094743	Beauvericin; Beauvericin A 	C46H59N3O9	797.42513	NA	MeJP	NA	NA
+PJ037779	SDKHRR 	C31H55N15O10	797.4257	NA	PeJP	NA	NA
+PJ037780	VLLMHW 	C39H59N9O7S	797.4259	NA	PeJP	NA	NA
+PJ037781	GTTTKKY 	C35H59N9O12	797.4283	NA	PeJP	NA	NA
+PJ037782	APPKKEE 	C35H59N9O12	797.4284	NA	PeJP	NA	NA
+PJ037783	SPPRRW 	C36H55N13O8	797.4297	NA	PeJP	NA	NA
+PJ037784	VLLQYY 	C40H59N7O10	797.4324	NA	PeJP	NA	NA
+PJ037785	AAPPMRR 	C33H59N13O8S	797.4331	NA	PeJP	NA	NA
+PJ037786	PPVLLEM 	C37H63N7O10S	797.4358	NA	PeJP	NA	NA
+PJ037787	SSHRRR 	C30H55N17O9	797.4369	NA	PeJP	NA	NA
+PJ037788	APPTKER 	C34H59N11O11	797.4396	NA	PeJP	NA	NA
+PJ037789	VLHHHR 	C35H55N15O7	797.4409	NA	PeJP	NA	NA
+PJ037790	GPPTLKW 	C39H59N9O9	797.4436	NA	PeJP	NA	NA
+PJ037791	AKMHRR 	C32H59N15O7S	797.4443	NA	PeJP	NA	NA
+PJ037792	TKKKMY 	C36H63N9O9S	797.447	NA	PeJP	NA	NA
+PJ037793	PLKFFF 	C44H59N7O7	797.4476	NA	PeJP	NA	NA
+PJ037794	PLQERR 	C33H59N13O10	797.4508	NA	PeJP	NA	NA
+PJ037795	LLKMFF 	C41H63N7O7S	797.451	NA	PeJP	NA	NA
+PJ037796	PVVLLEE 	C37H63N7O12	797.4535	NA	PeJP	NA	NA
+PJ037797	PVLQRW 	C38H59N11O8	797.4548	NA	PeJP	NA	NA
+PJ037798	GGPLLRW 	C38H59N11O8	797.4549	NA	PeJP	NA	NA
+PJ037799	GPPLKMR 	C35H63N11O8S	797.4582	NA	PeJP	NA	NA
+PJ037800	PVDRRR 	C32H59N15O9	797.4621	NA	PeJP	NA	NA
+PJ037801	TTTLLLH 	C36H63N9O11	797.4647	NA	PeJP	NA	NA
+PJ037802	GGPVVLKE 	C36H63N9O11	797.4648	NA	PeJP	NA	NA
+PJ037803	APLRRW 	C37H59N13O7	797.4661	NA	PeJP	NA	NA
+MJ094744	Rhizonin B 	C41H63N7O9	797.468726	NA	MeJP	NA	NA
+PJ037804	VLLKYY 	C41H63N7O9	797.4688	NA	PeJP	NA	NA
+PJ037805	VKKMHR 	C34H63N13O7S	797.4695	NA	PeJP	NA	NA
+PJ037806	GPVLKER 	C35H63N11O10	797.476	NA	PeJP	NA	NA
+PJ037807	AAPLLKW 	C40H63N9O8	797.48	NA	PeJP	NA	NA
+PJ037808	PPVVKKM 	C37H67N9O8S	797.4834	NA	PeJP	NA	NA
+PJ037809	PLKERR 	C34H63N13O9	797.4872	NA	PeJP	NA	NA
+PJ037810	PTLLLLE 	C38H67N7O11	797.4899	NA	PeJP	NA	NA
+PJ037811	PVLKRW 	C39H63N11O7	797.4912	NA	PeJP	NA	NA
+MJ094745	Kulolide 1; 7,7,8,8-Tetrahydro 	C43H67N5O9	797.493878	NA	MeJP	NA	NA
+PJ037812	PTLRRR 	C33H63N15O8	797.4984	NA	PeJP	NA	NA
+PJ037813	GGPKKRR 	C33H63N15O8	797.4985	NA	PeJP	NA	NA
+PJ037814	APLLKKE 	C37H67N9O10	797.5011	NA	PeJP	NA	NA
+PJ037815	PPVLLLF 	C42H67N7O8	797.5052	NA	PeJP	NA	NA
+PJ037816	PVLLLLM 	C39H71N7O8S	797.5085	NA	PeJP	NA	NA
+PJ037817	APTLLKR 	C36H67N11O9	797.5124	NA	PeJP	NA	NA
+PJ037818	LLLQRR 	C35H67N13O8	797.5236	NA	PeJP	NA	NA
+2951	mastoparan from vespa vasalis	LKLKSIVAWAKKVL~	797.5245	MH2+	Inhouse_peptide	NA	peptide
+PJ037819	VVLLLLE 	C39H71N7O10	797.5263	NA	PeJP	NA	NA
+PJ037820	VVLRRR 	C34H67N15O7	797.5348	NA	PeJP	NA	NA
+PJ037821	SPLLLKK 	C38H71N9O9	797.5375	NA	PeJP	NA	NA
+PJ037822	GVLLLKR 	C37H71N11O8	797.5487	NA	PeJP	NA	NA
+PJ037823	LLLKRR 	C36H71N13O7	797.56	NA	PeJP	NA	NA
+PJ037824	TLLLLLL 	C40H75N7O9	797.5627	NA	PeJP	NA	NA
+PJ037825	ALLLLKK 	C39H75N9O8	797.5739	NA	PeJP	NA	NA
+HMDB09041	PE(18:1(11Z)/22:2(13Z,16Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09074	PE(18:1(9Z)/22:2(13Z,16Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09106	PE(18:2(9Z,12Z)/22:1(13Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09138	PE(18:3(6Z,9Z,12Z)/22:0)	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09171	PE(18:3(9Z,12Z,15Z)/22:0)	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09232	PE(20:0/20:3(5Z,8Z,11Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09233	PE(20:0/20:3(8Z,11Z,14Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09264	PE(20:1(11Z)/20:2(11Z,14Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09296	PE(20:2(11Z,14Z)/20:1(11Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09328	PE(20:3(5Z,8Z,11Z)/20:0)	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09361	PE(20:3(8Z,11Z,14Z)/20:0)	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09490	PE(22:0/18:3(6Z,9Z,12Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09491	PE(22:0/18:3(9Z,12Z,15Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09522	PE(22:1(13Z)/18:2(9Z,12Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09553	PE(22:2(13Z,16Z)/18:1(11Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+HMDB09554	PE(22:2(13Z,16Z)/18:1(9Z))	C45H84NO8P	797.593445	NA	HMDB2010	NA	NA
+EUR991	PC 38:3 [M-H-CH3]-	C46H86NO8P	797.593457	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR991	PC 38:3 [M-H-CH3]-	C46H86NO8P	797.593457	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR991	PC 38:3 [M-H-CH3]-	C46H86NO8P	797.593457	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR991	PC 38:3 [M-H-CH3]-	C46H86NO8P	797.593457	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08326	PC(20:1(11Z)/P-18:1(11Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB08327	PC(20:1(11Z)/P-18:1(9Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB08358	PC(20:2(11Z,14Z)/P-18:0)	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB08619	PC(22:2(13Z,16Z)/P-16:0)	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB11225	PC(P-16:0/22:2(13Z,16Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB11250	PC(P-18:0/20:2(11Z,14Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB11282	PC(P-18:1(11Z)/20:1(11Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB11315	PC(P-18:1(9Z)/20:1(11Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB13439	PC(o-20:0/18:3(6Z,9Z,12Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+HMDB13440	PC(o-20:0/18:3(9Z,12Z,15Z))	C46H88NO7P	797.629822	NA	HMDB2010	NA	NA
+MJ094746	Acanthacerebroside D 	C46H87NO9	797.638083	NA	MeJP	NA	NA
+EUR1126	SM(d18:1/24:2) [M-H-CH3]-	C47H92N2O6P	797.653651	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1126	SM(d18:1/24:2) [M-H-CH3]-	C47H92N2O6P	797.653651	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1126	SM(d18:1/24:2) [M-H-CH3]-	C47H92N2O6P	797.653651	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1126	SM(d18:1/24:2) [M-H-CH3]-	C47H92N2O6P	797.653651	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094747	3,4,5-Trihydroxybenzoic acid; 3-O-[3,4,5-Trihydroxybenzoyl-(?6)-?-D-glucopyranoside], [3,4,5-trihydroxybenzoyl-(?6)-?-D-glucopyranosyl] ester 	C33H34O23	798.149087	NA	MeJP	NA	NA
+MJ094748	4',5,7-Trihydroxyflavone; 4'-O-?-D-Glucuronopyranoside, 7-O-[?-D-glucuronopyranosyl-(1??)-?-D-glucuronopyranoside] 	C33H34O23	798.149087	NA	MeJP	NA	NA
+MJ094749	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,5-Bis-O-(malonyl-?-D-glucopyranoside) 	C33H35O23(+)	798.149087	NA	MeJP	NA	NA
+FL3FAAGS0071	Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-glucuronide;4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-Glucopyranosiduronic acid	C37H34O20	798.16434	365971-55-7	knapsack	NA	NA
+PJ037826	CCCCCQH 	C26H42N10O9S5	798.174	NA	PeJP	NA	NA
+PJ037827	CCNDDDD 	C26H38N8O17S2	798.1797	NA	PeJP	NA	NA
+PJ037828	GSSCCCCH 	C26H42N10O11S4	798.1918	NA	PeJP	NA	NA
+PJ037829	GSPCCCDD 	C27H42N8O14S3	798.1983	NA	PeJP	NA	NA
+PJ037830	APPCCCCC 	C28H46N8O9S5	798.1992	NA	PeJP	NA	NA
+PJ037831	CCCNNNE 	C26H42N10O13S3	798.2095	NA	PeJP	NA	NA
+PJ037832	GGGGGGCCCE 	C26H42N10O13S3	798.2096	NA	PeJP	NA	NA
+MJ094750	[4,4'-Biphenylenebis(sulfonyliminoethylene)]bis(trimethylammonium)(2+); Dibenzenesulfonate 	C34H46N4O10S4	798.209676	NA	MeJP	NA	NA
+PJ037833	CCCCCKH 	C27H46N10O8S5	798.2104	NA	PeJP	NA	NA
+PJ037834	SCCNDEE 	C27H42N8O16S2	798.216	NA	PeJP	NA	NA
+PJ037835	SCNDDDM 	C27H42N8O16S2	798.2161	NA	PeJP	NA	NA
+MJ094751	Victorin B; 4-Deoxy 	C31H45Cl3N6O12	798.216104	NA	MeJP	NA	NA
+PJ037836	PCCCNEM 	C28H46N8O11S4	798.2169	NA	PeJP	NA	NA
+FL5FAAGA0039	Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside	C35H42O21	798.22185	79395-74-7	knapsack	NA	NA
+FL5FAAGS0128	Kaempferol 3-O-[2''-(4'''-acetyl-rhamnosyl)-6''-glucosyl] glucoside	C35H42O21	798.22185	220716-15-4	knapsack	NA	NA
+MJ094752	Astragalin; 2''-O-(4-O-Acetyl-?-L-rhamnopyranosyl), 6''-O-?-D-glucopyranosyl 	C35H42O21	798.221858	NA	MeJP	NA	NA
+MJ094753	Populnin; 6''-O-Ac, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C35H42O21	798.221858	NA	MeJP	NA	NA
+MJ094754	Swertiamarin; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac 	C35H42O21	798.221858	NA	MeJP	NA	NA
+MJ094755	Trifolin; 6''-O-[?-D-Glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl] 	C35H42O21	798.221858	NA	MeJP	NA	NA
+C17919	Rindoside	C35H42O21	798.2219	NA	KEGG	NA	NA
+PJ037837	GCCCNNW 	C30H42N10O10S3	798.2248	NA	PeJP	NA	NA
+PJ037838	GSSCCNND 	C26H42N10O15S2	798.2273	NA	PeJP	NA	NA
+PJ037839	PCCCCDR 	C27H46N10O10S4	798.2282	NA	PeJP	NA	NA
+PJ037840	GSCCDEW 	C31H42N8O13S2	798.2313	NA	PeJP	NA	NA
+MJ094756	Preulithiacyclamide 	C32H46N8O8S4	798.232143	NA	MeJP	NA	NA
+PJ037841	GPCCCMW 	C32H46N8O8S4	798.2322	NA	PeJP	NA	NA
+PJ037842	GSSSCDDE 	C27H42N8O18S	798.2338	NA	PeJP	NA	NA
+PJ037843	GCNDEMM 	C28H46N8O13S3	798.2347	NA	PeJP	NA	NA
+PJ037844	GCCDDMR 	C27H46N10O12S3	798.2459	NA	PeJP	NA	NA
+PJ037845	SCCDWW 	C35H42N8O10S2	798.2466	NA	PeJP	NA	NA
+PJ037846	SSSCDDW 	C31H42N8O15S	798.2491	NA	PeJP	NA	NA
+PJ037847	CNDMMW 	C32H46N8O10S3	798.2499	NA	PeJP	NA	NA
+PJ037848	SSSSSDDD 	C27H42N8O20	798.2516	NA	PeJP	NA	NA
+PJ037849	SSNDDMM 	C28H46N8O15S2	798.2524	NA	PeJP	NA	NA
+PJ037850	SPCCQMM 	C29H50N8O10S4	798.2533	NA	PeJP	NA	NA
+PJ037851	GCCNEHH 	C29H42N12O11S2	798.2538	NA	PeJP	NA	NA
+PJ037852	DDEEEY 	C32H42N6O18	798.2556	NA	PeJP	NA	NA
+PJ037853	SCCCNNR 	C26H46N12O11S3	798.2571	NA	PeJP	NA	NA
+PJ037854	GGSCCCNR 	C26H46N12O11S3	798.2572	NA	PeJP	NA	NA
+FL5FBFGS0001	Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside	C36H46O20	798.25824	-	knapsack	NA	NA
+MJ094757	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Apiofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-6-O-acetyl-?-D-glucopyranoside] 	C36H46O20	798.258243	NA	MeJP	NA	NA
+MJ094758	Forsythoside F; 2-Ac 	C36H46O20	798.258243	NA	MeJP	NA	NA
+PJ037855	EEEMMM 	C30H50N6O13S3	798.2598	NA	PeJP	NA	NA
+PJ037856	GCNNNDY 	C30H42N10O14S	798.2603	NA	PeJP	NA	NA
+PJ037857	CCCERW 	C31H46N10O9S3	798.2612	NA	PeJP	NA	NA
+PJ037858	SSCCDER 	C27H46N10O14S2	798.2637	NA	PeJP	NA	NA
+PJ037859	CNDDFW 	C35H42N8O12S	798.2643	NA	PeJP	NA	NA
+PJ037860	SPCCCMR 	C28H50N10O9S4	798.2645	NA	PeJP	NA	NA
+PJ037861	ACCMWW 	C36H46N8O7S3	798.2652	NA	PeJP	NA	NA
+PJ037862	GSNDDEY 	C31H42N8O17	798.2668	NA	PeJP	NA	NA
+PJ037863	GSSCEMW 	C32H46N8O12S2	798.2677	NA	PeJP	NA	NA
+PJ037864	CMMMHF 	C33H50N8O7S4	798.2686	NA	PeJP	NA	NA
+PJ037865	CCNHHW 	C33H42N12O8S2	798.269	NA	PeJP	NA	NA
+PJ037866	GSSSSDEM 	C28H46N8O17S	798.2702	NA	PeJP	NA	NA
+PJ037867	GSNEMMM 	C29H50N8O12S3	798.2711	NA	PeJP	NA	NA
+PJ037868	SSCNDHH 	C29H42N12O13S	798.2715	NA	PeJP	NA	NA
+PJ037869	GCMYYY 	C37H46N6O10S2	798.2717	NA	PeJP	NA	NA
+PJ037870	DEEEMF 	C33H46N6O15S	798.2742	NA	PeJP	NA	NA
+PJ037871	SPNDDDH 	C30H42N10O16	798.2781	NA	PeJP	NA	NA
+PJ037872	GCNNNMF 	C31H46N10O11S2	798.2789	NA	PeJP	NA	NA
+PJ037873	GGGGGGGCMF 	C31H46N10O11S2	798.279	NA	PeJP	NA	NA
+PJ037874	SSSSSCNQ 	C27H46N10O16S	798.2814	NA	PeJP	NA	NA
+PJ037875	SNDDYW 	C35H42N8O14	798.2821	NA	PeJP	NA	NA
+PJ037876	GSCDMMR 	C28H50N10O11S3	798.2823	NA	PeJP	NA	NA
+PJ037877	SSCMWW 	C36H46N8O9S2	798.2829	NA	PeJP	NA	NA
+PJ037878	GAPCCYW 	C36H46N8O9S2	798.283	NA	PeJP	NA	NA
+PJ037879	SSSSDMW 	C32H46N8O14S	798.2854	NA	PeJP	NA	NA
+PJ037880	GGNEEMY 	C32H46N8O14S	798.2855	NA	PeJP	NA	NA
+PJ037881	SNMMMW 	C33H50N8O9S3	798.2863	NA	PeJP	NA	NA
+PJ037882	SSSSSSEE 	C28H46N8O19	798.2879	NA	PeJP	NA	NA
+MJ094759	Antibiotic BE 40665A 	C44H46O14	798.288756	NA	MeJP	NA	NA
+PJ037883	SSSQEMM 	C29H50N8O14S2	798.2888	NA	PeJP	NA	NA
+PJ037884	GNNNDEH 	C29H42N12O15	798.2893	NA	PeJP	NA	NA
+PJ037885	STCYYY 	C37H46N6O12S	798.2895	NA	PeJP	NA	NA
+PJ037886	QQMMMM 	C30H54N8O9S4	798.2897	NA	PeJP	NA	NA
+PJ037887	GSCQMHH 	C30H46N12O10S2	798.2902	NA	PeJP	NA	NA
+PJ037888	TEEEEY 	C33H46N6O17	798.292	NA	PeJP	NA	NA
+PJ037889	PEEMMY 	C34H50N6O12S2	798.2928	NA	PeJP	NA	NA
+PJ037890	DDEHHF 	C34H42N10O13	798.2933	NA	PeJP	NA	NA
+PJ037891	GPPCCHW 	C35H46N10O8S2	798.2942	NA	PeJP	NA	NA
+MJ094760	Carboxyparquin 	C37H50O19	798.294629	NA	MeJP	NA	NA
+PJ037892	CNDERY 	C31H46N10O13S	798.2967	NA	PeJP	NA	NA
+PJ037893	TCCMRW 	C32H50N10O8S3	798.2976	NA	PeJP	NA	NA
+PJ037894	CEHHHH 	C32H42N14O9S	798.298	NA	PeJP	NA	NA
+PJ037895	GSSSSSSSN 	C27H46N10O18	798.2992	NA	PeJP	NA	NA
+PJ037896	SSSCEMR 	C28H50N10O13S2	798.3	NA	PeJP	NA	NA
+PJ037897	GSSSCCQK 	C28H50N10O13S2	798.3001	NA	PeJP	NA	NA
+PJ037898	GNEMYW 	C36H46N8O11S	798.3007	NA	PeJP	NA	NA
+PJ037899	CQMMMR 	C29H54N10O8S4	798.3009	NA	PeJP	NA	NA
+PJ037900	GSCCHHR 	C29H46N14O9S2	798.3014	NA	PeJP	NA	NA
+PJ037901	GSSQEEY 	C32H46N8O16	798.3032	NA	PeJP	NA	NA
+PJ037902	GSSTMMW 	C33H50N8O11S2	798.3041	NA	PeJP	NA	NA
+PJ037903	NNNDHW 	C33H42N12O12	798.3045	NA	PeJP	NA	NA
+PJ037904	GGNNDHW 	C33H42N12O12	798.3046	NA	PeJP	NA	NA
+PJ037905	GCFFYY 	C41H46N6O9S	798.3047	NA	PeJP	NA	NA
+PJ037906	GSSSTTEM 	C29H50N8O16S	798.3066	NA	PeJP	NA	NA
+PJ037907	PDEEFY 	C37H46N6O14	798.3072	NA	PeJP	NA	NA
+PJ037908	GTTQMMM 	C30H54N8O11S3	798.3074	NA	PeJP	NA	NA
+PJ037909	GSDKMMM 	C30H54N8O11S3	798.3075	NA	PeJP	NA	NA
+PJ037910	GPCDDHR 	C30H46N12O12S	798.3079	NA	PeJP	NA	NA
+PJ037911	VEEEMY 	C34H50N6O14S	798.3106	NA	PeJP	NA	NA
+PJ037912	GCDRYW 	C35H46N10O10S	798.3119	NA	PeJP	NA	NA
+PJ037913	GGPDMHW 	C35H46N10O10S	798.312	NA	PeJP	NA	NA
+PJ037914	CCMMRR 	C28H54N12O7S4	798.3122	NA	PeJP	NA	NA
+PJ037915	GSSDDRY 	C31H46N10O15	798.3144	NA	PeJP	NA	NA
+PJ037916	GGGGGGSSTY 	C31H46N10O15	798.3145	NA	PeJP	NA	NA
+PJ037917	GPTCCRY 	C32H50N10O10S2	798.3153	NA	PeJP	NA	NA
+PJ037918	NMYWW 	C40H46N8O8S	798.3159	NA	PeJP	NA	NA
+PJ037919	GGMYWW 	C40H46N8O8S	798.316	NA	PeJP	NA	NA
+PJ037920	SSSSSCNK 	C28H50N10O15S	798.3178	NA	PeJP	NA	NA
+PJ037921	SSQEYW 	C36H46N8O13	798.3185	NA	PeJP	NA	NA
+PJ037922	GSSMMMR 	C29H54N10O10S3	798.3187	NA	PeJP	NA	NA
+PJ037923	PCCKYW 	C37H50N8O8S2	798.3193	NA	PeJP	NA	NA
+MJ094761	Betaclamycin M; 2C,3C-Didehydro, 2C-amino, 4C-ketone 	C40H50N2O15	798.321118	NA	MeJP	NA	NA
+PJ037924	SSSTTMW 	C33H50N8O13S	798.3218	NA	PeJP	NA	NA
+PJ037925	GGPPPDEM 	C33H50N8O13S	798.3219	NA	PeJP	NA	NA
+PJ037926	QYYYY 	C41H46N6O11	798.3225	NA	PeJP	NA	NA
+PJ037927	TCKMMW 	C34H54N8O8S3	798.3227	NA	PeJP	NA	NA
+PJ037928	NNMHHF 	C34H46N12O9S	798.3232	NA	PeJP	NA	NA
+PJ037929	SSSSTTTE 	C29H50N8O18	798.3243	NA	PeJP	NA	NA
+PJ037930	SSSKEMM 	C30H54N8O13S2	798.3252	NA	PeJP	NA	NA
+PJ037931	NDEEHR 	C30H46N12O14	798.3257	NA	PeJP	NA	NA
+PJ037932	PPEMYY 	C38H50N6O11S	798.3259	NA	PeJP	NA	NA
+PJ037933	QKMMMM 	C31H58N8O8S4	798.3261	NA	PeJP	NA	NA
+PJ037934	SPPCCHR 	C31H50N12O9S2	798.3265	NA	PeJP	NA	NA
+PJ037935	CCDFRR 	C31H50N12O9S2	798.3266	NA	PeJP	NA	NA
+PJ037936	APCHWW 	C39H46N10O7S	798.3272	NA	PeJP	NA	NA
+PJ037937	LEEMMF 	C35H54N6O11S2	798.3292	NA	PeJP	NA	NA
+PJ037938	AQEEHW 	C35H46N10O12	798.3297	NA	PeJP	NA	NA
+PJ037939	GCMFRW 	C36H50N10O7S2	798.3306	NA	PeJP	NA	NA
+PJ037940	SNEMRY 	C32H50N10O12S	798.3331	NA	PeJP	NA	NA
+PJ037941	GSTYWW 	C40H46N8O10	798.3337	NA	PeJP	NA	NA
+PJ037942	LMMMHH 	C33H54N10O7S3	798.3339	NA	PeJP	NA	NA
+PJ037943	TMHHHH 	C33H46N14O8S	798.3344	NA	PeJP	NA	NA
+MJ094762	?-Lumicolchicine 	C44H50N2O12	798.336375	NA	MeJP	NA	NA
+PJ037944	SSSTMMR 	C29H54N10O12S2	798.3364	NA	PeJP	NA	NA
+PJ037945	GSNNDHR 	C29H46N14O13	798.3369	NA	PeJP	NA	NA
+PJ037946	GDKMYW 	C37H50N8O10S	798.3371	NA	PeJP	NA	NA
+PJ037947	CKMMMR 	C30H58N10O7S4	798.3373	NA	PeJP	NA	NA
+PJ037948	GSSKEEY 	C33H50N8O15	798.3396	NA	PeJP	NA	NA
+PJ037949	VQQMMY 	C34H54N8O10S2	798.3404	NA	PeJP	NA	NA
+PJ037950	LNQMMY 	C34H54N8O10S2	798.3405	NA	PeJP	NA	NA
+PJ037951	GDEHRW 	C34H46N12O11	798.3409	NA	PeJP	NA	NA
+PJ037952	GGGGGATHW 	C34H46N12O11	798.341	NA	PeJP	NA	NA
+PJ037953	SSSSSTLM 	C30H54N8O15S	798.343	NA	PeJP	NA	NA
+PJ037954	PVEEYY 	C38H50N6O13	798.3436	NA	PeJP	NA	NA
+PJ037955	GTTKMMM 	C31H58N8O10S3	798.3438	NA	PeJP	NA	NA
+PJ037956	SCDRRY 	C31H50N12O11S	798.3443	NA	PeJP	NA	NA
+PJ037957	SSPHWW 	C39H46N10O9	798.3449	NA	PeJP	NA	NA
+PJ037958	AAEHWW 	C39H46N10O9	798.345	NA	PeJP	NA	NA
+PJ037959	GSMRYW 	C36H50N10O9S	798.3483	NA	PeJP	NA	NA
+PJ037960	NFFWW 	C44H46N8O7	798.349	NA	PeJP	NA	NA
+PJ037961	GSSTERY 	C32H50N10O14	798.3508	NA	PeJP	NA	NA
+PJ037962	GGGGAASPPE 	C32H50N10O14	798.3509	NA	PeJP	NA	NA
+PJ037963	AQMMRY 	C33H54N10O9S2	798.3517	NA	PeJP	NA	NA
+PJ037964	GSPQHHH 	C33H46N14O10	798.3522	NA	PeJP	NA	NA
+PJ037965	AMHFFF 	C41H50N8O7S	798.3524	NA	PeJP	NA	NA
+PJ037966	SSKEYW 	C37H50N8O12	798.3548	NA	PeJP	NA	NA
+PJ037967	AAPPEEW 	C37H50N8O12	798.3549	NA	PeJP	NA	NA
+PJ037968	SCCCKKK 	C30H58N10O9S3	798.3551	NA	PeJP	NA	NA
+PJ037969	NNQMHR 	C30H50N14O10S	798.3555	NA	PeJP	NA	NA
+PJ037970	GGGGQMHR 	C30H50N14O10S	798.3556	NA	PeJP	NA	NA
+PJ037971	GKMMFW 	C38H54N8O7S2	798.3557	NA	PeJP	NA	NA
+PJ037972	DHRWW 	C38H46N12O8	798.3562	NA	PeJP	NA	NA
+PJ037973	TQKEMY 	C34H54N8O12S	798.3582	NA	PeJP	NA	NA
+PJ037974	KYYYY 	C42H50N6O10	798.3589	NA	PeJP	NA	NA
+PJ037975	PTCHRW 	C35H50N12O8S	798.3596	NA	PeJP	NA	NA
+PJ037976	SSTTTTTT 	C30H54N8O17	798.3607	NA	PeJP	NA	NA
+PJ037977	STTTKMM 	C31H58N8O12S2	798.3616	NA	PeJP	NA	NA
+PJ037978	TQEEHR 	C31H50N12O13	798.3621	NA	PeJP	NA	NA
+PJ037979	PLEMFY 	C39H54N6O10S	798.3622	NA	PeJP	NA	NA
+PJ037980	KKMMMM 	C32H62N8O7S4	798.3625	NA	PeJP	NA	NA
+PJ037981	ACMRRY 	C32H54N12O8S2	798.3629	NA	PeJP	NA	NA
+MetaCyc04148	Fe-Mo cofactor [FeMo-co;iron-molybdenum cofactor;]	H21S9FE7MO1	798.362964	NA	metacyc	NA	NA
+PJ037982	LLEMMY 	C36H58N6O10S2	798.3656	NA	PeJP	NA	NA
+PJ037983	SSTRYW 	C36H50N10O11	798.3661	NA	PeJP	NA	NA
+PJ037984	CNNHRR 	C29H50N16O9S	798.3668	NA	PeJP	NA	NA
+MJ094763	3,6,8,12,14-Pentahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranoside], 6-Ac 	C39H58O17	798.3674	NA	MeJP	NA	NA
+PJ037985	SDKMRY 	C33H54N10O11S	798.3694	NA	PeJP	NA	NA
+PJ037986	GSSVMRY 	C33H54N10O11S	798.3695	NA	PeJP	NA	NA
+PJ037987	PPVDWW 	C41H50N8O9	798.3701	NA	PeJP	NA	NA
+PJ037988	SDEHRR 	C30H50N14O12	798.3733	NA	PeJP	NA	NA
+PJ037989	ATKMYW 	C38H54N8O9S	798.3735	NA	PeJP	NA	NA
+PJ037990	PCMHRR 	C31H54N14O7S2	798.3742	NA	PeJP	NA	NA
+PJ037991	GTTTKEY 	C34H54N8O14	798.376	NA	PeJP	NA	NA
+PJ037992	VQKMMY 	C35H58N8O9S2	798.3768	NA	PeJP	NA	NA
+PJ037993	GGLKMMY 	C35H58N8O9S2	798.3769	NA	PeJP	NA	NA
+PJ037994	ATEHRW 	C35H50N12O10	798.3773	NA	PeJP	NA	NA
+PJ037995	VLEEFY 	C39H54N6O12	798.38	NA	PeJP	NA	NA
+PJ037996	SSMRRY 	C32H54N12O10S	798.3807	NA	PeJP	NA	NA
+PJ037997	GTLHWW 	C40H50N10O8	798.3813	NA	PeJP	NA	NA
+PJ037998	GGPVHFW 	C40H50N10O8	798.3814	NA	PeJP	NA	NA
+PJ037999	PTKMHW 	C37H54N10O8S	798.3847	NA	PeJP	NA	NA
+PJ038000	SSSSLRY 	C33H54N10O13	798.3872	NA	PeJP	NA	NA
+PJ038001	AKMMRY 	C34H58N10O8S2	798.3881	NA	PeJP	NA	NA
+PJ038002	GSPKHHH 	C34H50N14O9	798.3886	NA	PeJP	NA	NA
+PJ038003	TTTKYW 	C38H54N8O11	798.3912	NA	PeJP	NA	NA
+PJ038004	AAAPPPEF 	C38H54N8O11	798.3913	NA	PeJP	NA	NA
+PJ038005	AEMHRR 	C31H54N14O9S	798.3919	NA	PeJP	NA	NA
+PJ038006	GPHFRW 	C39H50N12O7	798.3926	NA	PeJP	NA	NA
+PJ038007	TKKEMY 	C35H58N8O11S	798.3946	NA	PeJP	NA	NA
+PJ038008	PPLFYY 	C43H54N6O9	798.3953	NA	PeJP	NA	NA
+PJ038009	GLMHRW 	C36H54N12O7S	798.396	NA	PeJP	NA	NA
+PJ038010	GSTLEHR 	C32H54N12O12	798.3984	NA	PeJP	NA	NA
+PJ038011	TKEEHR 	C32H54N12O12	798.3985	NA	PeJP	NA	NA
+PJ038012	PLLMYY 	C40H58N6O9S	798.3986	NA	PeJP	NA	NA
+PJ038013	PKMMHR 	C33H58N12O7S2	798.3993	NA	PeJP	NA	NA
+PJ038014	VNHHHR 	C33H50N16O8	798.3998	NA	PeJP	NA	NA
+PJ038015	SLKEHW 	C37H54N10O10	798.4025	NA	PeJP	NA	NA
+MJ094764	3,16-Dihydroxy-23,24-dinorcholan-22-oic acid, 22?16 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C40H62O16	798.403785	NA	MeJP	NA	NA
+PJ038016	TTKMRY 	C34H58N10O10S	798.4058	NA	PeJP	NA	NA
+PJ038017	PPVVCER 	C34H58N10O10S	798.4059	NA	PeJP	NA	NA
+PJ038018	PPTLWW 	C42H54N8O8	798.4065	NA	PeJP	NA	NA
+PJ038019	TTEHRR 	C31H54N14O11	798.4097	NA	PeJP	NA	NA
+PJ038020	GPPVLMW 	C39H58N8O8S	798.4099	NA	PeJP	NA	NA
+PJ038021	GHHHRR 	C32H50N18O7	798.411	NA	PeJP	NA	NA
+PJ038022	SSTTLKY 	C35H58N8O13	798.4123	NA	PeJP	NA	NA
+PJ038023	SPPLKEE 	C35H58N8O13	798.4124	NA	PeJP	NA	NA
+PJ038024	VKKMMY 	C36H62N8O8S2	798.4132	NA	PeJP	NA	NA
+PJ038025	STLHRW 	C36H54N12O9	798.4137	NA	PeJP	NA	NA
+PJ038026	VLLEYY 	C40H58N6O11	798.4164	NA	PeJP	NA	NA
+PJ038027	VKEMHR 	C33H58N12O9S	798.4171	NA	PeJP	NA	NA
+PJ038028	KFRYW 	C41H54N10O7	798.4177	NA	PeJP	NA	NA
+PJ038029	PPLMRW 	C38H58N10O7S	798.4211	NA	PeJP	NA	NA
+PJ038030	GPVLEER 	C34H58N10O12	798.4236	NA	PeJP	NA	NA
+PJ038031	GPQRRW 	C35H54N14O8	798.4249	NA	PeJP	NA	NA
+PJ038032	GGAPRRW 	C35H54N14O8	798.425	NA	PeJP	NA	NA
+PJ038033	AAPLLEW 	C39H58N8O10	798.4276	NA	PeJP	NA	NA
+PJ038034	SLMHRR 	C32H58N14O8S	798.4283	NA	PeJP	NA	NA
+MJ094765	Mocimycin; 5,6-Dihydro 	C43H62N2O12	798.430275	NA	MeJP	NA	NA
+PJ038035	PPVVKEM 	C36H62N8O10S	798.431	NA	PeJP	NA	NA
+PJ038036	PLLFFY 	C44H58N6O8	798.4316	NA	PeJP	NA	NA
+PJ038037	PLEERR 	C33H58N12O11	798.4348	NA	PeJP	NA	NA
+PJ038038	GGGPLDKR 	C33H58N12O11	798.4349	NA	PeJP	NA	NA
+PJ038039	LLLMFY 	C41H62N6O8S	798.435	NA	PeJP	NA	NA
+PJ038040	PPHHRR 	C34H54N16O7	798.4362	NA	PeJP	NA	NA
+PJ038041	PVLERW 	C38H58N10O9	798.4389	NA	PeJP	NA	NA
+MJ094766	13,28-Epoxy-11-oleanene-3,15,16,21,22-pentol, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H66O15	798.440171	NA	MeJP	NA	NA
+MJ094767	Polycavernoside B2 	C41H66O15	798.440171	NA	MeJP	NA	NA
+PJ038042	SPPVLMR 	C35H62N10O9S	798.4422	NA	PeJP	NA	NA
+PJ038043	PVVLWW 	C43H58N8O7	798.4429	NA	PeJP	NA	NA
+PJ038044	PNKERR 	C32H58N14O10	798.4461	NA	PeJP	NA	NA
+PJ038045	VKKMFF 	C40H62N8O7S	798.4463	NA	PeJP	NA	NA
+PJ038046	SPLLLQE 	C36H62N8O12	798.4487	NA	PeJP	NA	NA
+PJ038047	APLLKEE 	C36H62N8O12	798.4488	NA	PeJP	NA	NA
+PJ038048	PVNKRW 	C37H58N12O8	798.4501	NA	PeJP	NA	NA
+PJ038049	APPCKKR 	C34H62N12O8S	798.4535	NA	PeJP	NA	NA
+MJ094768	2,3,16,20,25-Pentahydroxycucurbita-5,23-dien-22-one, 23,24-Dihydro, 2-O-(6-cinnamoyl-?-D-glucopyranoside) 	C45H66O12	798.455427	NA	MeJP	NA	NA
+PJ038050	SPQRRR 	C31H58N16O9	798.4573	NA	PeJP	NA	NA
+PJ038051	APTLLER 	C35H62N10O11	798.46	NA	PeJP	NA	NA
+PJ038052	GPKRRW 	C36H58N14O7	798.4613	NA	PeJP	NA	NA
+PJ038053	GPTLLLW 	C40H62N8O9	798.464	NA	PeJP	NA	NA
+PJ038054	CKKKHR 	C33H62N14O7S	798.4647	NA	PeJP	NA	NA
+PJ038055	PPTLLKM 	C37H66N8O9S	798.4674	NA	PeJP	NA	NA
+PJ038056	LLLFFF 	C45H62N6O7	798.468	NA	PeJP	NA	NA
+PJ038057	AAPKKER 	C34H62N12O10	798.4712	NA	PeJP	NA	NA
+PJ038058	PLQKKW 	C39H62N10O8	798.4752	NA	PeJP	NA	NA
+PJ038059	GAPLKKW 	C39H62N10O8	798.4753	NA	PeJP	NA	NA
+MJ094769	12-Oleanene-3,11,16,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094770	12-Oleanene-3,16,23,28-tetrol, 3,28-Di-O-?-D-glucopyranoside 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094771	18-Oleanene-3,11,16,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094772	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094773	22,25-Epoxycycloartane-3,16,28-triol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094774	3,11,16-Trihydroxycycloartan-24-one, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside] 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094775	3,11,25-Trihydroxycucurbit-5-en-24-one, 3,25-Di-O-?-D-glucopyranoside 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094776	3,22,25-Trihydroxylanost-9(11)-en-24-one, 3-O-Gentiobioside 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094777	3,24,25-Trihydroxycucurbit-5-en-11-one, 3,25-Di-O-D-glucopyranoside 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094778	Cycloart-24-ene-3,16,22,28-tetrol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside 	C42H70O14	798.476556	NA	MeJP	NA	NA
+MJ094779	Mabioside D 	C42H70O14	798.476556	NA	MeJP	NA	NA
+C08985	Thalicoside A	C42H70O14	798.4766	NA	KEGG	NA	NA
+PJ038060	GPLLLMR 	C36H66N10O8S	798.4786	NA	PeJP	NA	NA
+PJ038061	PDKKRR 	C33H62N14O9	798.4825	NA	PeJP	NA	NA
+PJ038062	SPLLLKE 	C37H66N8O11	798.4851	NA	PeJP	NA	NA
+PJ038063	GAALLLLE 	C37H66N8O11	798.4852	NA	PeJP	NA	NA
+PJ038064	VLKHFR 	C38H62N12O7	798.4865	NA	PeJP	NA	NA
+PJ038065	KKKKMH 	C35H66N12O7S	798.4898	NA	PeJP	NA	NA
+MJ094780	Bacchomagellins; Bacchomagellin A 	C46H70O11	798.491813	NA	MeJP	NA	NA
+PJ038066	SPKRRR 	C32H62N16O8	798.4937	NA	PeJP	NA	NA
+PJ038067	GVLLLER 	C36H66N10O10	798.4964	NA	PeJP	NA	NA
+PJ038068	AALLLLW 	C41H66N8O8	798.5004	NA	PeJP	NA	NA
+PJ038069	PVVLLKM 	C38H70N8O8S	798.5038	NA	PeJP	NA	NA
+PJ038070	GVRRRR 	C31H62N18O7	798.5049	NA	PeJP	NA	NA
+MJ094781	Reglin 	C50H70O8	798.507069	NA	MeJP	NA	NA
+PJ038071	LLLERR 	C35H66N12O9	798.5076	NA	PeJP	NA	NA
+MJ094782	Dolastatin 10; Homologue, R = CH3 	C43H70N6O6S	798.507754	NA	MeJP	NA	NA
+PJ038072	VLLLRW 	C40H66N10O7	798.5116	NA	PeJP	NA	NA
+MJ094783	Lonomycin A; 23-Demethoxy 	C43H74O13	798.512942	NA	MeJP	NA	NA
+PJ038073	RRRRR 	C30H62N20O6	798.5162	NA	PeJP	NA	NA
+PJ038074	VLQKRR 	C34H66N14O8	798.5188	NA	PeJP	NA	NA
+PJ038075	ALLLLKE 	C38H70N8O10	798.5215	NA	PeJP	NA	NA
+PJ038076	ALKRRR 	C33H66N16O7	798.5301	NA	PeJP	NA	NA
+PJ038077	ATLLLLR 	C37H70N10O9	798.5328	NA	PeJP	NA	NA
+HMDB10581	PG(16:0/22:4(7Z,10Z,13Z,16Z))	C44H79O10P	798.541077	NA	HMDB2010	NA	NA
+HMDB10610	PG(18:0/20:4(5Z,8Z,11Z,14Z))	C44H79O10P	798.541077	NA	HMDB2010	NA	NA
+HMDB10623	PG(18:1(11Z)/20:3(5Z,8Z,11Z))	C44H79O10P	798.541077	NA	HMDB2010	NA	NA
+HMDB10624	PG(18:1(11Z)/20:3(8Z,11Z,14Z))	C44H79O10P	798.541077	NA	HMDB2010	NA	NA
+HMDB10638	PG(18:1(9Z)/20:3(5Z,8Z,11Z))	C44H79O10P	798.541077	NA	HMDB2010	NA	NA
+HMDB10639	PG(18:1(9Z)/20:3(8Z,11Z,14Z))	C44H79O10P	798.541077	NA	HMDB2010	NA	NA
+PJ038078	AALLKKR 	C36H70N12O8	798.544	NA	PeJP	NA	NA
+PJ038079	VLKKRR 	C35H70N14O7	798.5552	NA	PeJP	NA	NA
+PJ038080	SLLLLLK 	C39H74N8O9	798.5579	NA	PeJP	NA	NA
+PJ038081	GLLLKKK 	C38H74N10O8	798.5691	NA	PeJP	NA	NA
+MJ094784	Crambidine 	C45H79N6O6(+)	798.598284	NA	MeJP	NA	NA
+HMDB13467	SM(d18:0/22:2(13Z,16Z)(OH))	C45H87N2O7P	798.625061	NA	HMDB2010	NA	NA
+MJ094785	Manzamenone A; Butyl ester 	C50H86O7	798.637355	NA	MeJP	NA	NA
+C08212	Levothyroxine sodium anhydrous	C15H10I4NO4	798.6686	NA	KEGG	NA	NA
+C08213	Transferred to D01010	C15H10I4NO4	798.6686	NA	KEGG	NA	NA
+C08214	Transferred to D01011	C15H10I4NO4	798.6686	NA	KEGG	NA	NA
+C08215	Thyroid	C15H10I4NO4	798.6686	NA	KEGG	NA	NA
+C08216	Transferred to D01013	C15H10I4NO4	798.6686	NA	KEGG	NA	NA
+MJ094786	9,9'-Oxybis[7,26-heptacosadien-10-ol] 	C54H102O3	798.782897	NA	MeJP	NA	NA
+PJ038082	CCCCCCY 	C27H41N7O9S6	799.129	NA	PeJP	NA	NA
+FL7AAGGL0020	Delphinidin 3-(6''-malonylglucoside)-5-malonylglucoside	C33H35O23	799.15691	104078-09-3	knapsack	NA	NA
+PJ038083	CCCCCEH 	C26H41N9O10S5	799.158	NA	PeJP	NA	NA
+PJ038084	CCDDDDD 	C26H37N7O18S2	799.1637	NA	PeJP	NA	NA
+PJ038085	CCCNNDE 	C26H41N9O14S3	799.1935	NA	PeJP	NA	NA
+PJ038086	GGCCCNDE 	C26H41N9O14S3	799.1936	NA	PeJP	NA	NA
+PJ038087	TCCCCMH 	C27H45N9O9S5	799.1944	NA	PeJP	NA	NA
+MJ094787	Pradimicin T1; 3A-O-Dexylosyl 	C37H37NO19	799.195978	NA	MeJP	NA	NA
+PJ038088	SCDDDDM 	C27H41N7O17S2	799.2001	NA	PeJP	NA	NA
+PJ038089	PCCCDEM 	C28H45N7O12S4	799.2009	NA	PeJP	NA	NA
+PJ038090	GCCCNDW 	C30H41N9O11S3	799.2088	NA	PeJP	NA	NA
+PJ038091	GSSCCNDD 	C26H41N9O16S2	799.2113	NA	PeJP	NA	NA
+PJ038092	GSPCCCCQ 	C27H45N9O11S4	799.2122	NA	PeJP	NA	NA
+PJ038093	GCDDEMM 	C28H45N7O14S3	799.2187	NA	PeJP	NA	NA
+PJ038094	GCCCMHF 	C31H45N9O8S4	799.2274	NA	PeJP	NA	NA
+PJ038095	SCCNNEM 	C27H45N9O13S3	799.2299	NA	PeJP	NA	NA
+PJ038096	GCDDDEF 	C31H41N7O16S	799.2331	NA	PeJP	NA	NA
+PJ038097	CCEEMW 	C32H45N7O11S3	799.2339	NA	PeJP	NA	NA
+PJ038098	CDDMMW 	C32H45N7O11S3	799.234	NA	PeJP	NA	NA
+PJ038099	SSDDDMM 	C28H45N7O16S2	799.2364	NA	PeJP	NA	NA
+PJ038100	TTCDDDM 	C28H45N7O16S2	799.2365	NA	PeJP	NA	NA
+PJ038101	SPCCEMM 	C29H49N7O11S4	799.2373	NA	PeJP	NA	NA
+PJ038102	GCCDEHH 	C29H41N11O12S2	799.2378	NA	PeJP	NA	NA
+PJ038103	SCCCNDR 	C26H45N11O12S3	799.2412	NA	PeJP	NA	NA
+PJ038104	GCNNDDY 	C30H41N9O15S	799.2443	NA	PeJP	NA	NA
+PJ038105	GSCCNMW 	C31H45N9O10S3	799.2452	NA	PeJP	NA	NA
+PJ038106	GSSSCNDM 	C27H45N9O15S2	799.2477	NA	PeJP	NA	NA
+PJ038107	CDDDFW 	C35H41N7O13S	799.2483	NA	PeJP	NA	NA
+PJ038108	ACCNQMM 	C28H49N9O10S4	799.2485	NA	PeJP	NA	NA
+PJ038109	GCNNMMM 	C28H49N9O10S4	799.2486	NA	PeJP	NA	NA
+PJ038110	GSDDDEY 	C31H41N7O18	799.2508	NA	PeJP	NA	NA
+PJ038111	GPCDDMY 	C32H45N7O13S2	799.2517	NA	PeJP	NA	NA
+PJ038112	PPCCCMF 	C33H49N7O8S4	799.2526	NA	PeJP	NA	NA
+PJ038113	CCDHHW 	C33H41N11O9S2	799.2531	NA	PeJP	NA	NA
+PJ038114	GSDEMMM 	C29H49N7O13S3	799.2551	NA	PeJP	NA	NA
+PJ038115	SSCDDHH 	C29H41N11O14S	799.2555	NA	PeJP	NA	NA
+PJ038116	GPCMMMM 	C30H53N7O8S5	799.256	NA	PeJP	NA	NA
+PJ038117	PTCCCHH 	C30H45N11O9S3	799.2564	NA	PeJP	NA	NA
+PJ038118	GCCCQMR 	C27H49N11O9S4	799.2598	NA	PeJP	NA	NA
+PJ038119	SPDDDDH 	C30H41N9O17	799.2621	NA	PeJP	NA	NA
+PJ038120	SSSCCQW 	C31H45N9O12S2	799.2629	NA	PeJP	NA	NA
+PJ038121	GGGGSPCCY 	C31H45N9O12S2	799.263	NA	PeJP	NA	NA
+PJ038122	SSSSSCNE 	C27H45N9O17S	799.2654	NA	PeJP	NA	NA
+PJ038123	SDDDYW 	C35H41N7O15	799.2661	NA	PeJP	NA	NA
+PJ038124	SSCNQMM 	C28H49N9O12S3	799.2663	NA	PeJP	NA	NA
+PJ038125	PCCEYW 	C36H45N7O10S2	799.267	NA	PeJP	NA	NA
+PJ038126	NDEEMY 	C32H45N7O15S	799.2695	NA	PeJP	NA	NA
+PJ038127	SDMMMW 	C33H49N7O10S3	799.2703	NA	PeJP	NA	NA
+PJ038128	GCCCCRR 	C26H49N13O8S4	799.271	NA	PeJP	NA	NA
+PJ038129	SSSEEMM 	C29H49N7O15S2	799.2728	NA	PeJP	NA	NA
+PJ038130	GNNDDEH 	C29H41N11O16	799.2733	NA	PeJP	NA	NA
+PJ038131	QEMMMM 	C30H53N7O10S4	799.2737	NA	PeJP	NA	NA
+PJ038132	GSCEMHH 	C30H45N11O11S2	799.2742	NA	PeJP	NA	NA
+PJ038133	SSCCNMR 	C27H49N11O11S3	799.2775	NA	PeJP	NA	NA
+PJ038134	GGSSCCMR 	C27H49N11O11S3	799.2776	NA	PeJP	NA	NA
+PJ038135	CCNQFW 	C35H45N9O9S2	799.2782	NA	PeJP	NA	NA
+PJ038136	GSSSSSCW 	C31H45N9O14S	799.2807	NA	PeJP	NA	NA
+PJ038137	GTCCCKW 	C32H49N9O9S3	799.2816	NA	PeJP	NA	NA
+PJ038138	GSSSSSSSD 	C27H45N9O19	799.2832	NA	PeJP	NA	NA
+PJ038139	GSSSSNMM 	C28H49N9O14S2	799.2841	NA	PeJP	NA	NA
+PJ038140	GDEMYW 	C36H45N7O12S	799.2847	NA	PeJP	NA	NA
+PJ038141	CEMMMR 	C29H53N9O9S4	799.2849	NA	PeJP	NA	NA
+PJ038142	GGACCKMM 	C29H53N9O9S4	799.285	NA	PeJP	NA	NA
+MJ094788	Haligramide A; 36-S-Oxide 	C37H49N7O7S3	799.285559	NA	MeJP	NA	NA
+PJ038143	GSSEEEY 	C32H45N7O17	799.2872	NA	PeJP	NA	NA
+PJ038144	GSPDMMY 	C33H49N7O12S2	799.2881	NA	PeJP	NA	NA
+PJ038145	NNDDHW 	C33H41N11O13	799.2886	NA	PeJP	NA	NA
+PJ038146	AMMMMW 	C34H53N7O7S4	799.289	NA	PeJP	NA	NA
+PJ038147	SCMHHW 	C34H45N11O8S2	799.2894	NA	PeJP	NA	NA
+PJ038148	GTTEMMM 	C30H53N7O12S3	799.2915	NA	PeJP	NA	NA
+PJ038149	SSSDMHH 	C30H45N11O13S	799.2919	NA	PeJP	NA	NA
+PJ038150	GGGGSPCEH 	C30H45N11O13S	799.292	NA	PeJP	NA	NA
+PJ038151	NMMMHH 	C31H49N11O8S3	799.2928	NA	PeJP	NA	NA
+PJ038152	GSSSTCCR 	C27H49N11O13S2	799.2953	NA	PeJP	NA	NA
+PJ038153	SCNQYW 	C35H45N9O11S	799.2959	NA	PeJP	NA	NA
+PJ038154	GGGGTCYW 	C35H45N9O11S	799.296	NA	PeJP	NA	NA
+PJ038155	GCCCKMR 	C28H53N11O8S4	799.2962	NA	PeJP	NA	NA
+PJ038156	SSSNNEY 	C31H45N9O16	799.2984	NA	PeJP	NA	NA
+PJ038157	GGSSSNEY 	C31H45N9O16	799.2985	NA	PeJP	NA	NA
+PJ038158	SSSCCKW 	C32H49N9O11S2	799.2993	NA	PeJP	NA	NA
+PJ038159	DMYWW 	C40H45N7O9S	799.3	NA	PeJP	NA	NA
+PJ038160	SSSSSSQM 	C28H49N9O16S	799.3018	NA	PeJP	NA	NA
+PJ038161	SSEEYW 	C36H45N7O14	799.3025	NA	PeJP	NA	NA
+PJ038162	SSCNKMM 	C29H53N9O11S3	799.3027	NA	PeJP	NA	NA
+PJ038163	GNNNNMH 	C29H45N13O12S	799.3032	NA	PeJP	NA	NA
+PJ038164	PTCMYW 	C37H49N7O9S2	799.3033	NA	PeJP	NA	NA
+PJ038165	GEMMFW 	C37H49N7O9S2	799.3034	NA	PeJP	NA	NA
+PJ038166	TQEEMY 	C33H49N7O14S	799.3058	NA	PeJP	NA	NA
+PJ038167	GATEEMY 	C33H49N7O14S	799.3059	NA	PeJP	NA	NA
+PJ038168	EYYYY 	C41H45N5O12	799.3065	NA	PeJP	NA	NA
+PJ038169	TTMMMW 	C34H53N7O9S3	799.3067	NA	PeJP	NA	NA
+PJ038170	GSPCNHW 	C34H45N11O10S	799.3072	NA	PeJP	NA	NA
+PJ038171	STTTEMM 	C30H53N7O14S2	799.3092	NA	PeJP	NA	NA
+PJ038172	DDEEHR 	C30H45N11O15	799.3097	NA	PeJP	NA	NA
+PJ038173	KEMMMM 	C31H57N7O9S4	799.3101	NA	PeJP	NA	NA
+PJ038174	CNNMRY 	C31H49N11O10S2	799.3106	NA	PeJP	NA	NA
+PJ038175	SSSSSSCR 	C27H49N11O15S	799.3131	NA	PeJP	NA	NA
+PJ038176	GSSSNYW 	C35H45N9O13	799.3137	NA	PeJP	NA	NA
+PJ038177	STCCCKR 	C28H53N11O10S3	799.3139	NA	PeJP	NA	NA
+PJ038178	CCNKFW 	C36H49N9O8S2	799.3146	NA	PeJP	NA	NA
+PJ038179	SDEMRY 	C32H49N9O13S	799.3171	NA	PeJP	NA	NA
+PJ038180	GPDYYW 	C40H45N7O11	799.3177	NA	PeJP	NA	NA
+PJ038181	PCMMRY 	C33H53N9O8S3	799.318	NA	PeJP	NA	NA
+PJ038182	MMFWW 	C41H49N7O6S2	799.3186	NA	PeJP	NA	NA
+PJ038183	GSSSSSSTT 	C28H49N9O18	799.3196	NA	PeJP	NA	NA
+PJ038184	GSTTTCCK 	C29H53N9O13S2	799.3204	NA	PeJP	NA	NA
+PJ038185	GSSSTCKM 	C29H53N9O13S2	799.3205	NA	PeJP	NA	NA
+PJ038186	GSNDDHR 	C29H45N13O14	799.3209	NA	PeJP	NA	NA
+PJ038187	GGGGGGGGSTH 	C29H45N13O14	799.321	NA	PeJP	NA	NA
+PJ038188	ATEMYW 	C37H49N7O11S	799.3211	NA	PeJP	NA	NA
+PJ038189	TMMMMR 	C30H57N9O8S4	799.3213	NA	PeJP	NA	NA
+PJ038190	GPCCQHR 	C30H49N13O9S2	799.3218	NA	PeJP	NA	NA
+PJ038191	ACHHFW 	C38H45N11O7S	799.3224	NA	PeJP	NA	NA
+PJ038192	GTTTEEY 	C33H49N7O16	799.3236	NA	PeJP	NA	NA
+PJ038193	VQEMMY 	C34H53N7O11S2	799.3245	NA	PeJP	NA	NA
+PJ038194	SNQEHW 	C34H45N11O12	799.3249	NA	PeJP	NA	NA
+PJ038195	GGGGTEHW 	C34H45N11O12	799.325	NA	PeJP	NA	NA
+PJ038196	SSTLMMM 	C31H57N7O11S3	799.3278	NA	PeJP	NA	NA
+PJ038197	GSSCQRY 	C31H49N11O12S	799.3283	NA	PeJP	NA	NA
+PJ038198	GGGGGGGGPPM 	C31H49N11O12S	799.3284	NA	PeJP	NA	NA
+PJ038199	GNNFYW 	C39H45N9O10	799.329	NA	PeJP	NA	NA
+PJ038200	SCNKYW 	C36H49N9O10S	799.3323	NA	PeJP	NA	NA
+PJ038201	GGSPPPCW 	C36H49N9O10S	799.3324	NA	PeJP	NA	NA
+PJ038202	DFFWW 	C44H45N7O8	799.333	NA	PeJP	NA	NA
+PJ038203	SSSNDKY 	C32H49N9O15	799.3348	NA	PeJP	NA	NA
+PJ038204	KEEEEH 	C32H49N9O15	799.3349	NA	PeJP	NA	NA
+PJ038205	AEMMRY 	C33H53N9O10S2	799.3357	NA	PeJP	NA	NA
+PJ038206	GSPEHHH 	C33H45N13O11	799.3362	NA	PeJP	NA	NA
+PJ038207	GPMFYW 	C41H49N7O8S	799.3364	NA	PeJP	NA	NA
+PJ038208	SSSSSSKM 	C29H53N9O15S	799.3382	NA	PeJP	NA	NA
+PJ038209	SSSPPYY 	C37H49N7O13	799.3388	NA	PeJP	NA	NA
+PJ038210	TTTEYW 	C37H49N7O13	799.3389	NA	PeJP	NA	NA
+PJ038211	STCCKKM 	C30H57N9O10S3	799.3391	NA	PeJP	NA	NA
+PJ038212	NNEMHR 	C30H49N13O11S	799.3395	NA	PeJP	NA	NA
+PJ038213	GGNEMHR 	C30H49N13O11S	799.3396	NA	PeJP	NA	NA
+PJ038214	GLMMYW 	C38H53N7O8S2	799.3397	NA	PeJP	NA	NA
+PJ038215	GSQHWW 	C38H45N11O9	799.3402	NA	PeJP	NA	NA
+MJ094789	Auramycin F 	C41H53NO15	799.34152	NA	MeJP	NA	NA
+PJ038216	TKEEMY 	C34H53N7O13S	799.3422	NA	PeJP	NA	NA
+PJ038217	PKMMMY 	C35H57N7O8S3	799.3431	NA	PeJP	NA	NA
+PJ038218	AQQMHW 	C35H49N11O9S	799.3436	NA	PeJP	NA	NA
+PJ038219	SSSSNRY 	C31H49N11O14	799.3461	NA	PeJP	NA	NA
+PJ038220	CCQKRY 	C32H53N11O9S2	799.3469	NA	PeJP	NA	NA
+PJ038221	GACCKRY 	C32H53N11O9S2	799.347	NA	PeJP	NA	NA
+PJ038222	NQQHHH 	C32H45N15O10	799.3474	NA	PeJP	NA	NA
+PJ038223	SLEEHW 	C36H49N9O12	799.3501	NA	PeJP	NA	NA
+PJ038224	CNDHRR 	C29H49N15O10S	799.3508	NA	PeJP	NA	NA
+PJ038225	PVMMHW 	C37H53N9O7S2	799.351	NA	PeJP	NA	NA
+PJ038226	SPHHHW 	C37H45N13O8	799.3514	NA	PeJP	NA	NA
+PJ038227	TTEMRY 	C33H53N9O12S	799.3535	NA	PeJP	NA	NA
+PJ038228	APTYYW 	C41H49N7O10	799.3541	NA	PeJP	NA	NA
+PJ038229	CLMMFR 	C34H57N9O7S3	799.3543	NA	PeJP	NA	NA
+PJ038230	GNMHRW 	C34H49N13O8S	799.3548	NA	PeJP	NA	NA
+PJ038231	GSSQEHR 	C30H49N13O13	799.3573	NA	PeJP	NA	NA
+PJ038232	STLMYW 	C38H53N7O10S	799.3575	NA	PeJP	NA	NA
+PJ038233	GPCCKHR 	C31H53N13O8S2	799.3582	NA	PeJP	NA	NA
+PJ038234	SSTTLEY 	C34H53N7O15	799.36	NA	PeJP	NA	NA
+PJ038235	VKEMMY 	C35H57N7O10S2	799.3609	NA	PeJP	NA	NA
+PJ038236	SNKEHW 	C35H49N11O11	799.3613	NA	PeJP	NA	NA
+PJ038237	GGGGAAPQW 	C35H49N11O11	799.3614	NA	PeJP	NA	NA
+PJ038238	GSSCKRY 	C32H53N11O11S	799.3647	NA	PeJP	NA	NA
+PJ038239	SPPQWW 	C40H49N9O9	799.3653	NA	PeJP	NA	NA
+MJ094790	Stellarin F 	C40H49N9O9	799.365324	NA	MeJP	NA	NA
+PJ038240	PPTNWW 	C40H49N9O9	799.3654	NA	PeJP	NA	NA
+PJ038241	VVEMHW 	C37H53N9O9S	799.3687	NA	PeJP	NA	NA
+PJ038242	VFYWW 	C45H49N7O7	799.3694	NA	PeJP	NA	NA
+PJ038243	SSSTQKY 	C33H53N9O14	799.3712	NA	PeJP	NA	NA
+PJ038244	GGGGPVLDE 	C33H53N9O14	799.3713	NA	PeJP	NA	NA
+PJ038245	SLMMRY 	C34H57N9O9S2	799.3721	NA	PeJP	NA	NA
+PJ038246	SSQHRW 	C34H49N13O10	799.3726	NA	PeJP	NA	NA
+PJ038247	GLMFFW 	C42H53N7O7S	799.3728	NA	PeJP	NA	NA
+PJ038248	PTKEYY 	C38H53N7O12	799.3752	NA	PeJP	NA	NA
+PJ038249	GGVLEYY 	C38H53N7O12	799.3753	NA	PeJP	NA	NA
+PJ038250	NDKMHR 	C31H53N13O10S	799.3759	NA	PeJP	NA	NA
+PJ038251	GPPCDRR 	C31H53N13O10S	799.376	NA	PeJP	NA	NA
+PJ038252	PKMMFF 	C39H57N7O7S2	799.3761	NA	PeJP	NA	NA
+PJ038253	GSKHWW 	C39H49N11O8	799.3766	NA	PeJP	NA	NA
+3731	NA	YPFGFLG	799.377	ACE inhibitor	Inhouse_peptide	NA	peptide
+3733	NA	YPFGFIG	799.377	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ038254	SSSLLMY 	C35H57N7O12S	799.3786	NA	PeJP	NA	NA
+PJ038255	LKMMMF 	C36H61N7O7S3	799.3795	NA	PeJP	NA	NA
+PJ038256	PPNMRW 	C36H53N11O8S	799.38	NA	PeJP	NA	NA
+PJ038257	SSTLQQH 	C32H53N11O13	799.3824	NA	PeJP	NA	NA
+PJ038258	AAPQEER 	C32H53N11O13	799.3825	NA	PeJP	NA	NA
+PJ038259	CCKKRY 	C33H57N11O8S2	799.3833	NA	PeJP	NA	NA
+PJ038260	VDHHHR 	C33H49N15O9	799.3838	NA	PeJP	NA	NA
+PJ038261	GSPPKEW 	C37H53N9O11	799.3865	NA	PeJP	NA	NA
+PJ038262	SNMHRR 	C30H53N15O9S	799.3872	NA	PeJP	NA	NA
+PJ038263	ALHHHW 	C38H49N13O7	799.3878	NA	PeJP	NA	NA
+PJ038264	GTTCKKY 	C34H57N9O11S	799.3898	NA	PeJP	NA	NA
+PJ038265	GSSKKMY 	C34H57N9O11S	799.3899	NA	PeJP	NA	NA
+PJ038266	GVLYYW 	C42H53N7O9	799.3905	NA	PeJP	NA	NA
+PJ038267	ACKHRW 	C35H53N13O7S	799.3912	NA	PeJP	NA	NA
+PJ038268	PNEERR 	C31H53N13O12	799.3937	NA	PeJP	NA	NA
+PJ038269	PVKMYY 	C39H57N7O9S	799.3939	NA	PeJP	NA	NA
+PJ038270	TTTTTLY 	C35H57N7O14	799.3964	NA	PeJP	NA	NA
+PJ038271	PVNERW 	C36H53N11O10	799.3977	NA	PeJP	NA	NA
+MJ094791	Deltamycin A1 	C39H61NO16	799.399034	NA	MeJP	NA	NA
+MJ094792	Fumonisin A1; 2-De(acetylamino), 2-(3-hydroxy-1-pyridinyl) 	C39H62NO16(+)	799.399034	NA	MeJP	NA	NA
+PJ038272	GPPDKMR 	C33H57N11O10S	799.4011	NA	PeJP	NA	NA
+PJ038273	SPPKWW 	C41H53N9O8	799.4017	NA	PeJP	NA	NA
+PJ038274	GAAPLWW 	C41H53N9O8	799.4018	NA	PeJP	NA	NA
+PJ038275	GSSTHRR 	C30H53N15O11	799.4049	NA	PeJP	NA	NA
+PJ038276	GGGGGSPRR 	C30H53N15O11	799.405	NA	PeJP	NA	NA
+PJ038277	TLLMHW 	C38H57N9O8S	799.4051	NA	PeJP	NA	NA
+PJ038278	SSSTKKY 	C34H57N9O13	799.4076	NA	PeJP	NA	NA
+PJ038279	CKKKMY 	C35H61N9O8S2	799.4085	NA	PeJP	NA	NA
+PJ038280	GPERRW 	C35H53N13O9	799.409	NA	PeJP	NA	NA
+PJ038281	VVKEYY 	C39H57N7O11	799.4116	NA	PeJP	NA	NA
+PJ038282	GSPPMRR 	C32H57N13O9S	799.4123	NA	PeJP	NA	NA
+PJ038283	GPVRWW 	C40H53N11O7	799.413	NA	PeJP	NA	NA
+MJ094793	Germine; O3-(3,4-Dimethoxybenzoyl), O15-(2-methylbutanoyl), O7-Ac 	C43H61NO13	799.414291	NA	MeJP	NA	NA
+PJ038284	PPTLLEM 	C36H61N7O11S	799.415	NA	PeJP	NA	NA
+PJ038285	AKKMHW 	C37H57N11O7S	799.4164	NA	PeJP	NA	NA
+PJ038286	SSPPKER 	C33H57N11O12	799.4188	NA	PeJP	NA	NA
+PJ038287	AAPKEER 	C33H57N11O12	799.4189	NA	PeJP	NA	NA
+PJ038288	LLMMHR 	C34H61N11O7S2	799.4197	NA	PeJP	NA	NA
+PJ038289	GQHFRR 	C34H53N15O8	799.4202	NA	PeJP	NA	NA
+PJ038290	PLQKEW 	C38H57N9O10	799.4229	NA	PeJP	NA	NA
+PJ038291	TCKHRR 	C31H57N15O8S	799.4236	NA	PeJP	NA	NA
+PJ038292	PRRWW 	C39H53N13O6	799.4242	NA	PeJP	NA	NA
+PJ038293	SSLLLMH 	C35H61N9O10S	799.4262	NA	PeJP	NA	NA
+PJ038294	GGPPTLKM 	C35H61N9O10S	799.4263	NA	PeJP	NA	NA
+PJ038295	PVKFFY 	C43H57N7O8	799.4269	NA	PeJP	NA	NA
+PJ038296	PDKERR 	C32H57N13O11	799.4301	NA	PeJP	NA	NA
+PJ038297	VLKMFY 	C40H61N7O8S	799.4303	NA	PeJP	NA	NA
+PJ038298	SPLLLEE 	C36H61N7O13	799.4328	NA	PeJP	NA	NA
+PJ038299	PPVLLMM 	C37H65N7O8S2	799.4336	NA	PeJP	NA	NA
+PJ038300	PVDKRW 	C37H57N11O9	799.4341	NA	PeJP	NA	NA
+C14059	Leucomycin A6	C40H65NO15	799.4354	NA	KEGG	NA	NA
+MJ094794	Leucomycin A6 	C40H65NO15	799.43542	NA	MeJP	NA	NA
+MJ094795	Platenomycin C2 	C40H65NO15	799.43542	NA	MeJP	NA	NA
+PJ038301	APPTKMR 	C34H61N11O9S	799.4375	NA	PeJP	NA	NA
+PJ038302	APLKWW 	C42H57N9O7	799.4381	NA	PeJP	NA	NA
+PJ038303	SPERRR 	C31H57N15O10	799.4413	NA	PeJP	NA	NA
+PJ038304	CKKKFF 	C39H61N9O7S	799.4415	NA	PeJP	NA	NA
+PJ038305	GPLKKEE 	C35H61N9O12	799.444	NA	PeJP	NA	NA
+PJ038306	SPVRRW 	C36H57N13O8	799.4453	NA	PeJP	NA	NA
+PJ038307	GAPPFRR 	C36H57N13O8	799.4454	NA	PeJP	NA	NA
+PJ038308	TLLKYY 	C40H61N7O10	799.448	NA	PeJP	NA	NA
+PJ038309	PLQMRR 	C33H61N13O8S	799.4487	NA	PeJP	NA	NA
+MJ094796	Hygrolidin K2; 19-Me ether 	C44H65NO12	799.450676	NA	MeJP	NA	NA
+PJ038310	PVVLLEM 	C37H65N7O10S	799.4514	NA	PeJP	NA	NA
+PJ038311	GQQRRR 	C30H57N17O9	799.4526	NA	PeJP	NA	NA
+PJ038312	GPTLKER 	C34H61N11O11	799.4552	NA	PeJP	NA	NA
+PJ038313	GGGVLLER 	C34H61N11O11	799.4553	NA	PeJP	NA	NA
+PJ038314	GKHFRR 	C35H57N15O7	799.4566	NA	PeJP	NA	NA
+PJ038315	AKKKYY 	C39H61N9O9	799.4592	NA	PeJP	NA	NA
+PJ038316	PLKKEW 	C39H61N9O9	799.4593	NA	PeJP	NA	NA
+PJ038317	PCLRRR 	C32H61N15O7S	799.46	NA	PeJP	NA	NA
+PJ038318	SPPLKKM 	C36H65N9O9S	799.4626	NA	PeJP	NA	NA
+PJ038319	VLKFFF 	C44H61N7O7	799.4633	NA	PeJP	NA	NA
+PJ038320	VLQERR 	C33H61N13O10	799.4665	NA	PeJP	NA	NA
+PJ038321	ALLLLEE 	C37H65N7O12	799.4692	NA	PeJP	NA	NA
+PJ038322	PTLKRW 	C38H61N11O8	799.4705	NA	PeJP	NA	NA
+C14063	Leucomycin A13	C41H69NO14	799.4718	NA	KEGG	NA	NA
+C14064	Kitasamycin	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14065	Transferred to D02270	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14066	Transferred to D02271	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14067	Transferred to D02272	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14068	Transferred to D02273	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14069	Transferred to D02274	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14070	Transferred to D02275	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14071	Transferred to D02276	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14073	Transferred to D02277	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14074	Transferred to D02278	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14075	Transferred to D02279	C35H57NO13	799.4718	NA	KEGG	NA	NA
+C14076	Transferred to D02280	C35H57NO13	799.4718	NA	KEGG	NA	NA
+MJ094797	Leucomycin A13 	C41H69NO14	799.471805	NA	MeJP	NA	NA
+MJ094798	Leucomycin A15 	C41H69NO14	799.471805	NA	MeJP	NA	NA
+MJ094799	Oleandomycin; 4',11-Dipropanoyl 	C41H69NO14	799.471805	NA	MeJP	NA	NA
+PJ038323	GPVLKMR 	C35H65N11O8S	799.4739	NA	PeJP	NA	NA
+PJ038324	ALERRR 	C32H61N15O9	799.4777	NA	PeJP	NA	NA
+PJ038325	SPVLKKE 	C36H65N9O11	799.4804	NA	PeJP	NA	NA
+PJ038326	GLLRRW 	C37H61N13O7	799.4817	NA	PeJP	NA	NA
+PJ038327	PPVVLLY 	C41H65N7O9	799.4844	NA	PeJP	NA	NA
+PJ038328	PLKMRR 	C34H65N13O7S	799.4851	NA	PeJP	NA	NA
+PJ038329	PTLLLLM 	C38H69N7O9S	799.4878	NA	PeJP	NA	NA
+PJ038330	GQKRRR 	C31H61N17O8	799.4889	NA	PeJP	NA	NA
+PJ038331	GGAKRRR 	C31H61N17O8	799.489	NA	PeJP	NA	NA
+PJ038332	AALLKER 	C35H65N11O10	799.4916	NA	PeJP	NA	NA
+PJ038333	LLLQKW 	C40H65N9O8	799.4956	NA	PeJP	NA	NA
+PJ038334	GALLLKW 	C40H65N9O8	799.4957	NA	PeJP	NA	NA
+PJ038335	APLLKKM 	C37H69N9O8S	799.499	NA	PeJP	NA	NA
+PJ038336	VLKERR 	C34H65N13O9	799.5029	NA	PeJP	NA	NA
+PJ038337	SLLLLLE 	C38H69N7O11	799.5055	NA	PeJP	NA	NA
+PJ038338	VVLKRW 	C39H65N11O7	799.5069	NA	PeJP	NA	NA
+PJ038339	SLLRRR 	C33H65N15O8	799.5141	NA	PeJP	NA	NA
+HMDB08248	PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H74NO8P	799.515198	NA	HMDB2010	NA	NA
+HMDB08503	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	C46H74NO8P	799.515198	NA	HMDB2010	NA	NA
+PJ038340	GLLLKKE 	C37H69N9O10	799.5168	NA	PeJP	NA	NA
+PJ038341	PVVLLLF 	C42H69N7O8	799.5208	NA	PeJP	NA	NA
+PJ038342	VVLLLLM 	C39H73N7O8S	799.5242	NA	PeJP	NA	NA
+PJ038343	GKKRRR 	C32H65N17O7	799.5253	NA	PeJP	NA	NA
+PJ038344	GTLLLKR 	C36H69N11O9	799.528	NA	PeJP	NA	NA
+PJ038345	LLLKKW 	C41H69N9O7	799.532	NA	PeJP	NA	NA
+EUR957	PC 34:4 [M+FA-H]-	C42H76NO8P	799.535737	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR957	PC 34:4 [M+FA-H]-	C42H76NO8P	799.535737	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR957	PC 34:4 [M+FA-H]-	C42H76NO8P	799.535737	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR957	PC 34:4 [M+FA-H]-	C42H76NO8P	799.535737	masses lipides attendues	Inhousejuil11	NA	NA
+PJ038346	LQKKKR 	C35H69N13O8	799.5392	NA	PeJP	NA	NA
+PJ038347	SVLLLKK 	C38H73N9O9	799.5532	NA	PeJP	NA	NA
+PJ038348	GVLKKKK 	C37H73N11O8	799.5644	NA	PeJP	NA	NA
+PJ038349	LKKKKR 	C36H73N13O7	799.5756	NA	PeJP	NA	NA
+EUR986	PC 38:2 [M-H-CH3]-	C46H88NO8P	799.609107	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR986	PC 38:2 [M-H-CH3]-	C46H88NO8P	799.609107	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR986	PC 38:2 [M-H-CH3]-	C46H88NO8P	799.609107	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR986	PC 38:2 [M-H-CH3]-	C46H88NO8P	799.609107	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07954	PC(15:0/22:2(13Z,16Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB08592	PC(22:2(13Z,16Z)/15:0)	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB08981	PE(16:1(9Z)/24:1(15Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09008	PE(18:0/22:2(13Z,16Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09040	PE(18:1(11Z)/22:1(13Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09073	PE(18:1(9Z)/22:1(13Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09105	PE(18:2(9Z,12Z)/22:0)	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09231	PE(20:0/20:2(11Z,14Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09263	PE(20:1(11Z)/20:1(11Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09295	PE(20:2(11Z,14Z)/20:0)	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09489	PE(22:0/18:2(9Z,12Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09520	PE(22:1(13Z)/18:1(11Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09521	PE(22:1(13Z)/18:1(9Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09552	PE(22:2(13Z,16Z)/18:0)	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB09749	PE(24:1(15Z)/16:1(9Z))	C45H86NO8P	799.609131	NA	HMDB2010	NA	NA
+HMDB08293	PC(20:0/P-18:1(11Z))	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB08294	PC(20:0/P-18:1(9Z))	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB08325	PC(20:1(11Z)/P-18:0)	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB08586	PC(22:1(13Z)/P-16:0)	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB11224	PC(P-16:0/22:1(13Z))	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB11249	PC(P-18:0/20:1(11Z))	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB11281	PC(P-18:1(11Z)/20:0)	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB11314	PC(P-18:1(9Z)/20:0)	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB13431	PC(o-18:1(9Z)/20:1(11Z))	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+HMDB13436	PC(o-18:2(9Z,12Z)/20:0)	C46H90NO7P	799.645508	NA	HMDB2010	NA	NA
+EUR1121	SM(d18:1/24:1) [M-H-CH3]-	C47H94N2O6P	799.669301	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1121	SM(d18:1/24:1) [M-H-CH3]-	C47H94N2O6P	799.669301	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1121	SM(d18:1/24:1) [M-H-CH3]-	C47H94N2O6P	799.669301	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1121	SM(d18:1/24:1) [M-H-CH3]-	C47H94N2O6P	799.669301	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11696	SM(d17:1/24:1(15Z))	C46H92N2O6P	799.669312	NA	HMDB2010	NA	NA
+MJ094800	Aplysina archeri Alkaloid 	C22H20Br4N4O9	799.796378	NA	MeJP	NA	NA
+MJ094801	Rawsonol 	C29H24Br4O7	799.825553	NA	MeJP	NA	NA
+C13704	TS-TM-calix(4)arene	C32H32O16S4	800.0573	NA	KEGG	NA	NA
+MJ094802	Lagerstannin A 	C34H24O23	800.070837	NA	MeJP	NA	NA
+C10220	3,5-Di-O-galloyl-4-O-digalloylquinic acid	C35H28O22	800.1072	NA	KEGG	NA	NA
+MJ094803	Quinic acid, 1,3,4,5-Tetrakis(3,4,5-trihydroxybenzoyl) 	C35H28O22	800.107222	NA	MeJP	NA	NA
+MJ094804	Quinic acid, 3-O-(Galloylgalloyl), 4,5-bis(3,4,5-trihydroxybenzoyl) 	C35H28O22	800.107222	NA	MeJP	NA	NA
+MJ094805	Quinic acid, 4-O-(Galloylgalloyl), 3,5-bis(3,4,5-trihydroxybenzoyl) 	C35H28O22	800.107222	NA	MeJP	NA	NA
+MJ094806	Quinic acid, 5-O-(Galloylgalloyl), 3,4-bis(3,4,5-trihydroxybenzoyl) 	C35H28O22	800.107222	NA	MeJP	NA	NA
+FL3FACGS0049	Luteolin 7,4'-diglucuronide-3'-glucoside	C33H36O23	800.16473	69631-11-4	knapsack	NA	NA
+MJ094807	3',4',5,7-Tetrahydroxyflavone; 4',7-Di-O-?-D-glucuronopyranoside, 3'-O-?-D-glucopyranoside 	C33H36O23	800.164737	NA	MeJP	NA	NA
+PJ038350	CCCNDDE 	C26H40N8O15S3	800.1776	NA	PeJP	NA	NA
+MJ094808	3',4',5,7-Tetrahydroxyflavone; 3'-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside], 7-O-glucuronoside 	C37H36O20	800.179993	NA	MeJP	NA	NA
+PJ038351	GCCCDDW 	C30H40N8O12S3	800.1928	NA	PeJP	NA	NA
+PJ038352	GSSCCDDD 	C26H40N8O17S2	800.1953	NA	PeJP	NA	NA
+PJ038353	GSPCCCCE 	C27H44N8O12S4	800.1962	NA	PeJP	NA	NA
+MJ094809	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranoside], 5-O-[6-O-acetyl-?-D-glucopyranoside] 	C34H41O22(+)	800.201122	NA	MeJP	NA	NA
+PJ038354	CCCNNNM 	C26H44N10O11S4	800.2074	NA	PeJP	NA	NA
+PJ038355	SPCCCCW 	C31H44N8O9S4	800.2114	NA	PeJP	NA	NA
+PJ038356	SCCNDEM 	C27H44N8O14S3	800.2139	NA	PeJP	NA	NA
+PJ038357	GGSCCDEM 	C27H44N8O14S3	800.214	NA	PeJP	NA	NA
+PJ038358	PCCCNMM 	C28H48N8O9S5	800.2148	NA	PeJP	NA	NA
+FL3FADCS0016	Isoscoparin 2''-(6-(E)-ferulylglucoside)	C38H40O19	800.21637	97605-26-0	knapsack	NA	NA
+FL5FADGA0025	Isorhamnetin 3-(3'''-ferulylrobinobioside);Isorhamnetin 3-(3'''-feruloylrhamnosyl)-(1->6)-galactoside;Quercetin 3'-methyl ether 3-(3'''-feruloylrhamnosyl)-(1->6)-galactoside;3-[[6-O-[6-Deoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C38H40O19	800.21637	173485-09-1	knapsack	NA	NA
+MJ094810	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-(4-Hydroxy-3-methoxycinnamoyl), 7-O-[?-L-rhamnopyranosyl-(1??)-?-D-glucopyranoside] 	C38H40O19	800.216379	NA	MeJP	NA	NA
+MJ094811	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C38H40O19	800.216379	NA	MeJP	NA	NA
+MJ094812	Isoscoparin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C38H40O19	800.216379	NA	MeJP	NA	NA
+MJ094813	Isovitexin; 6''-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] 	C38H40O19	800.216379	NA	MeJP	NA	NA
+MJ094814	Isovitexin; 7-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C38H40O19	800.216379	NA	MeJP	NA	NA
+MJ094815	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C38H41O19(+)	800.216379	NA	MeJP	NA	NA
+PJ038359	SCCCDDR 	C26H44N10O13S3	800.2252	NA	PeJP	NA	NA
+PJ038360	GCNDDDY 	C30H40N8O16S	800.2283	NA	PeJP	NA	NA
+PJ038361	GSCCDMW 	C31H44N8O11S3	800.2292	NA	PeJP	NA	NA
+PJ038362	GSSSCDDM 	C27H44N8O16S2	800.2317	NA	PeJP	NA	NA
+PJ038363	GCNDMMM 	C28H48N8O11S4	800.2326	NA	PeJP	NA	NA
+PJ038364	CCCFYY 	C36H44N6O9S3	800.2332	NA	PeJP	NA	NA
+FL3FAIGS0010	Tricin 7-rutinoside-4'-glucoside	C35H44O21	800.2375	58795-16-7	knapsack	NA	NA
+FL5FCEGL0004	Ombuin 3-rutinoside-5-glucoside	C35H44O21	800.2375	96400-43-0	knapsack	NA	NA
+MJ094816	3',5,7-Trihydroxy-3,4'-dimethoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C35H44O21	800.237508	NA	MeJP	NA	NA
+MJ094817	3,3',4',5,7-Pentahydroxyflavone; 4',5-Di-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C35H44O21	800.237508	NA	MeJP	NA	NA
+MJ094818	3,3',5-Trihydroxy-4',7-dimethoxyflavone; 3-O-Rutinoside, 5-O-?-D-glucopyranoside 	C35H44O21	800.237508	NA	MeJP	NA	NA
+MJ094819	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-(Rhamnosylrutinoside) 	C35H44O21	800.237508	NA	MeJP	NA	NA
+MJ094820	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C35H44O21	800.237508	NA	MeJP	NA	NA
+MJ094821	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C35H45O21(+)	800.237508	NA	MeJP	NA	NA
+PJ038365	SSSSCCNN 	C26H44N10O15S2	800.2429	NA	PeJP	NA	NA
+PJ038366	GCCCEMR 	C27H48N10O10S4	800.2438	NA	PeJP	NA	NA
+PJ038367	TCCCWW 	C35H44N8O8S3	800.2445	NA	PeJP	NA	NA
+PJ038368	SPCCNDY 	C31H44N8O13S2	800.2469	NA	PeJP	NA	NA
+PJ038369	SSSCCEW 	C31H44N8O13S2	800.247	NA	PeJP	NA	NA
+PJ038370	CCQMMW 	C32H48N8O8S4	800.2478	NA	PeJP	NA	NA
+PJ038371	SSSSSCDE 	C27H44N8O18S	800.2495	NA	PeJP	NA	NA
+PJ038372	SSCNEMM 	C28H48N8O13S3	800.2503	NA	PeJP	NA	NA
+PJ038373	SCCYYY 	C36H44N6O11S2	800.251	NA	PeJP	NA	NA
+MJ094822	Ferrichrysin 	C29H46FeN9O14	800.251364	NA	MeJP	NA	NA
+PJ038374	GCCNMHH 	C29H44N12O9S3	800.2517	NA	PeJP	NA	NA
+MJ094823	Catalpol; 6-O-[2,4-Bis-O-(4-hydroxy-E-cinnamoyl)-?-L-rhamnopyranoside] 	C39H44O18	800.252764	NA	MeJP	NA	NA
+PJ038375	DDEEMY 	C32H44N6O16S	800.2535	NA	PeJP	NA	NA
+HMDB01956	Heptacarboxylporphyrin III	C40H40N4O14	800.254089	NA	HMDB2010	NA	NA
+HMDB01956	Heptacarboxylporphyrin III	C40H40N4O14	800.25409	http://www.hmdb.ca/metabolites/HMDB01956	HMDB	NA	NA
+HMDB01956	Heptacarboxylporphyrin III	C40H40N4O14	800.25409	HMDB01956	PFEM_hmdb_metabocards_official	NA	NA
+PJ038376	GNDDDEH 	C29H40N10O17	800.2573	NA	PeJP	NA	NA
+PJ038377	EEMMMM 	C30H52N6O11S4	800.2577	NA	PeJP	NA	NA
+PJ038378	GCCNNQY 	C30H44N10O12S2	800.2582	NA	PeJP	NA	NA
+PJ038379	CCCMRW 	C31H48N10O7S4	800.2591	NA	PeJP	NA	NA
+PJ038380	SSCCDMR 	C27H48N10O12S3	800.2616	NA	PeJP	NA	NA
+PJ038381	CCNEFW 	C35H44N8O10S2	800.2622	NA	PeJP	NA	NA
+PJ038382	GSNDDMY 	C31H44N8O15S	800.2647	NA	PeJP	NA	NA
+PJ038383	GSSCMMW 	C32H48N8O10S3	800.2656	NA	PeJP	NA	NA
+MJ094824	Paulomycin A; 6'-De-O-Ac, 6'-O-propanoyl 	C35H48N2O17S	800.267368	NA	MeJP	NA	NA
+PJ038384	GSSSSDMM 	C28H48N8O15S2	800.2681	NA	PeJP	NA	NA
+PJ038385	GTCQMMM 	C29H52N8O10S4	800.2689	NA	PeJP	NA	NA
+PJ038386	GSNMMMM 	C29H52N8O10S4	800.269	NA	PeJP	NA	NA
+PJ038387	SSCCQHH 	C29H44N12O11S2	800.2694	NA	PeJP	NA	NA
+PJ038388	GGGGGGPCCH 	C29H44N12O11S2	800.2695	NA	PeJP	NA	NA
+PJ038389	DEEMMF 	C33H48N6O13S2	800.2721	NA	PeJP	NA	NA
+PJ038390	NDDDHW 	C33H40N10O14	800.2726	NA	PeJP	NA	NA
+MJ094825	Cistanoside A 	C36H48O20	800.273893	NA	MeJP	NA	NA
+MJ094826	Purpureaside C; 3'''-Me ether 	C36H48O20	800.273893	NA	MeJP	NA	NA
+MJ094827	Veronica undulata Phenylethanoid 	C36H48O20	800.273893	NA	MeJP	NA	NA
+PJ038391	SSCNNNY 	C30H44N10O14S	800.2759	NA	PeJP	NA	NA
+PJ038392	GGGGSSCNY 	C30H44N10O14S	800.276	NA	PeJP	NA	NA
+PJ038393	GPCCCRY 	C31H48N10O9S3	800.2768	NA	PeJP	NA	NA
+PJ038394	GCCFWW 	C39H44N8O7S2	800.2775	NA	PeJP	NA	NA
+PJ038395	SCNEYW 	C35H44N8O12S	800.28	NA	PeJP	NA	NA
+PJ038396	GTCCMMR 	C28H52N10O9S4	800.2802	NA	PeJP	NA	NA
+PJ038397	SSSNDEY 	C31H44N8O17	800.2825	NA	PeJP	NA	NA
+PJ038398	SSSTCMW 	C32H48N8O12S2	800.2833	NA	PeJP	NA	NA
+PJ038399	GGGGEMMY 	C32H48N8O12S2	800.2834	NA	PeJP	NA	NA
+PJ038400	CCKMMW 	C33H52N8O7S4	800.2842	NA	PeJP	NA	NA
+PJ038401	SSSSSSEM 	C28H48N8O17S	800.2858	NA	PeJP	NA	NA
+PJ038402	PDDEYY 	C36H44N6O15	800.2865	NA	PeJP	NA	NA
+PJ038403	SSSQMMM 	C29H52N8O12S3	800.2867	NA	PeJP	NA	NA
+PJ038404	GSSSSCHH 	C29H44N12O13S	800.2872	NA	PeJP	NA	NA
+PJ038405	ACCCKHH 	C30H48N12O8S3	800.2881	NA	PeJP	NA	NA
+MJ094828	Antibiotic BA 12100Z1; 4'''-O-(2-Carboxyacetyl), 12b-de-O-glycosyl 	C40H48O17	800.28915	NA	MeJP	NA	NA
+MJ094829	Ciclamycin O 	C40H48O17	800.28915	NA	MeJP	NA	NA
+PJ038406	TEEEMY 	C33H48N6O15S	800.2899	NA	PeJP	NA	NA
+PJ038407	PEMMMY 	C34H52N6O10S3	800.2907	NA	PeJP	NA	NA
+PJ038408	GSPCDHW 	C34H44N10O11S	800.2912	NA	PeJP	NA	NA
+PJ038409	GSNEEEH 	C30H44N10O16	800.2937	NA	PeJP	NA	NA
+PJ038410	CNDMRY 	C31H48N10O11S2	800.2946	NA	PeJP	NA	NA
+PJ038411	GSCYWW 	C39H44N8O9S	800.2952	NA	PeJP	NA	NA
+PJ038412	CMHHHH 	C32H44N14O7S2	800.2959	NA	PeJP	NA	NA
+PJ038413	GSSSDYW 	C35H44N8O14	800.2977	NA	PeJP	NA	NA
+PJ038414	SSSCMMR 	C28H52N10O11S3	800.2979	NA	PeJP	NA	NA
+PJ038415	GNMMYW 	C36H48N8O9S2	800.2986	NA	PeJP	NA	NA
+PJ038416	GSSQEMY 	C32H48N8O14S	800.3011	NA	PeJP	NA	NA
+PJ038417	GPCCKMY 	C33H52N8O9S3	800.302	NA	PeJP	NA	NA
+PJ038418	CNNQHW 	C33H44N12O10S	800.3024	NA	PeJP	NA	NA
+PJ038419	GGGGCQHW 	C33H44N12O10S	800.3025	NA	PeJP	NA	NA
+PJ038420	GSSSTTMM 	C29H52N8O14S2	800.3045	NA	PeJP	NA	NA
+PJ038421	SSNNNEH 	C29H44N12O15	800.3049	NA	PeJP	NA	NA
+PJ038422	GSDDDHR 	C29H44N12O15	800.305	NA	PeJP	NA	NA
+PJ038423	PDEMFY 	C37H48N6O12S	800.3051	NA	PeJP	NA	NA
+PJ038424	GTCKMMM 	C30H56N8O9S4	800.3053	NA	PeJP	NA	NA
+PJ038425	GPCCEHR 	C30H48N12O10S2	800.3058	NA	PeJP	NA	NA
+PJ038426	VEEMMY 	C34H52N6O12S2	800.3085	NA	PeJP	NA	NA
+PJ038427	NNNNYY 	C34H44N10O13	800.3089	NA	PeJP	NA	NA
+PJ038428	SNEEHW 	C34H44N10O13	800.309	NA	PeJP	NA	NA
+PJ038429	ACCRYW 	C35H48N10O8S2	800.3098	NA	PeJP	NA	NA
+PJ038430	GSSCERY 	C31H48N10O13S	800.3123	NA	PeJP	NA	NA
+PJ038431	GGAAEEMH 	C31H48N10O13S	800.3124	NA	PeJP	NA	NA
+PJ038432	GNDFYW 	C39H44N8O11	800.313	NA	PeJP	NA	NA
+PJ038433	CNMMFR 	C32H52N10O8S3	800.3132	NA	PeJP	NA	NA
+PJ038434	GPCNHHH 	C32H44N14O9S	800.3137	NA	PeJP	NA	NA
+PJ038435	SSQMYW 	C36H48N8O11S	800.3163	NA	PeJP	NA	NA
+PJ038436	GSSVCYW 	C36H48N8O11S	800.3164	NA	PeJP	NA	NA
+PJ038437	SSSTQEY 	C32H48N8O16	800.3188	NA	PeJP	NA	NA
+PJ038438	GGSSTTEY 	C32H48N8O16	800.3189	NA	PeJP	NA	NA
+PJ038439	NDKMMY 	C33H52N8O11S2	800.3197	NA	PeJP	NA	NA
+PJ038440	GSSNNHW 	C33H44N12O12	800.3202	NA	PeJP	NA	NA
+PJ038441	PCCHRW 	C34H48N12O7S2	800.3211	NA	PeJP	NA	NA
+PJ038442	SSSSTTTM 	C29H52N8O16S	800.3222	NA	PeJP	NA	NA
+PJ038443	PTEEYY 	C37H48N6O14	800.3229	NA	PeJP	NA	NA
+PJ038444	SSSKMMM 	C30H56N8O11S3	800.3231	NA	PeJP	NA	NA
+PJ038445	NDEMHR 	C30H48N12O12S	800.3236	NA	PeJP	NA	NA
+PJ038446	PPMMYY 	C38H52N6O9S2	800.3237	NA	PeJP	NA	NA
+PJ038447	PEMMFF 	C38H52N6O9S2	800.3238	NA	PeJP	NA	NA
+PJ038448	GSEHWW 	C38H44N10O10	800.3242	NA	PeJP	NA	NA
+MJ094830	2,3,5,7,8,9,15-Heptahydroxy-6(17),11-jatrophadien-14-one, 3-(2-Benzoyloxyacetyl), 7-(2-methylpropanoyl), 2,5,8,9-tetra-Ac 	C41H52O16	800.325535	NA	MeJP	NA	NA
+PJ038449	LEMMMF 	C35H56N6O9S3	800.3271	NA	PeJP	NA	NA
+PJ038450	SSCRYW 	C35H48N10O10S	800.3276	NA	PeJP	NA	NA
+PJ038451	SSSSDRY 	C31H48N10O15	800.3301	NA	PeJP	NA	NA
+PJ038452	SNMMRY 	C32H52N10O10S2	800.331	NA	PeJP	NA	NA
+PJ038453	NQEHHH 	C32H44N14O11	800.3314	NA	PeJP	NA	NA
+PJ038454	GGGAEHHH 	C32H44N14O11	800.3315	NA	PeJP	NA	NA
+PJ038455	GNMFFW 	C40H48N8O8S	800.3316	NA	PeJP	NA	NA
+PJ038456	GSSTTYW 	C36H48N8O13	800.3341	NA	PeJP	NA	NA
+PJ038457	CDDHRR 	C29H48N14O11S	800.3348	NA	PeJP	NA	NA
+PJ038458	ACKMYW 	C37H52N8O8S2	800.335	NA	PeJP	NA	NA
+3697	NA	YPFGFNG	800.3359	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ038459	GSSKEMY 	C33H52N8O13S	800.3375	NA	PeJP	NA	NA
+PJ038460	PPDFYY 	C41H48N6O11	800.3381	NA	PeJP	NA	NA
+PJ038461	NKMMMF 	C34H56N8O8S3	800.3384	NA	PeJP	NA	NA
+PJ038462	GDMHRW 	C34H48N12O9S	800.3388	NA	PeJP	NA	NA
+PJ038463	SHWWW 	C42H44N10O7	800.3395	NA	PeJP	NA	NA
+PJ038464	GSSEEHR 	C30H48N12O14	800.3413	NA	PeJP	NA	NA
+PJ038465	GGGGGPDER 	C30H48N12O14	800.3414	NA	PeJP	NA	NA
+PJ038466	PVEMYY 	C38H52N6O11S	800.3415	NA	PeJP	NA	NA
+PJ038467	TCCRRY 	C31H52N12O9S2	800.3422	NA	PeJP	NA	NA
+PJ038468	AAMHWW 	C39H48N10O7S	800.3429	NA	PeJP	NA	NA
+PJ038469	SDKEHW 	C35H48N10O12	800.3453	NA	PeJP	NA	NA
+PJ038470	GSSVEHW 	C35H48N10O12	800.3454	NA	PeJP	NA	NA
+PJ038471	PCKMHW 	C36H52N10O7S2	800.3462	NA	PeJP	NA	NA
+PJ038472	GQHHHW 	C36H44N14O8	800.3467	NA	PeJP	NA	NA
+PJ038473	GSSTMRY 	C32H52N10O12S	800.3487	NA	PeJP	NA	NA
+PJ038474	SPPEWW 	C40H48N8O10	800.3494	NA	PeJP	NA	NA
+PJ038475	SSSNNHR 	C29H48N14O13	800.3525	NA	PeJP	NA	NA
+PJ038476	GGSSSNHR 	C29H48N14O13	800.3526	NA	PeJP	NA	NA
+PJ038477	SSKMYW 	C37H52N8O10S	800.3527	NA	PeJP	NA	NA
+PJ038478	GPPVDMW 	C37H52N8O10S	800.3528	NA	PeJP	NA	NA
+PJ038479	SSSTKEY 	C33H52N8O15	800.3552	NA	PeJP	NA	NA
+PJ038480	GPLQEEE 	C33H52N8O15	800.3553	NA	PeJP	NA	NA
+PJ038481	TQKMMY 	C34H56N8O10S2	800.3561	NA	PeJP	NA	NA
+PJ038482	SSEHRW 	C34H48N12O11	800.3566	NA	PeJP	NA	NA
+PJ038483	PPMFFY 	C42H52N6O8S	800.3568	NA	PeJP	NA	NA
+PJ038484	PHHHHH 	C35H44N16O7	800.3579	NA	PeJP	NA	NA
+PJ038485	VVEEYY 	C38H52N6O13	800.3593	NA	PeJP	NA	NA
+PJ038486	SSSPMHR 	C31H52N12O11S	800.3599	NA	PeJP	NA	NA
+PJ038487	TQEMHR 	C31H52N12O11S	800.36	NA	PeJP	NA	NA
+PJ038488	PLMMFY 	C39H56N6O8S2	800.3601	NA	PeJP	NA	NA
+PJ038489	ATTHWW 	C39H48N10O9	800.3606	NA	PeJP	NA	NA
+PJ038490	LLMMMY 	C36H60N6O8S3	800.3635	NA	PeJP	NA	NA
+PJ038491	PPDMRW 	C36H52N10O9S	800.364	NA	PeJP	NA	NA
+PJ038492	GHFFFF 	C44H48N8O7	800.3646	NA	PeJP	NA	NA
+PJ038493	SSSTTRY 	C32H52N10O14	800.3665	NA	PeJP	NA	NA
+PJ038494	TCKMRY 	C33H56N10O9S2	800.3673	NA	PeJP	NA	NA
+PJ038495	ASPKMMH 	C33H56N10O9S2	800.3674	NA	PeJP	NA	NA
+PJ038496	NNNHFR 	C33H48N14O10	800.3678	NA	PeJP	NA	NA
+PJ038497	PPCLWW 	C41H52N8O7S	800.368	NA	PeJP	NA	NA
+PJ038498	PLQEEW 	C37H52N8O12	800.3705	NA	PeJP	NA	NA
+PJ038499	SDMHRR 	C30H52N14O10S	800.3712	NA	PeJP	NA	NA
+PJ038500	PPQHHW 	C38H48N12O8	800.3718	NA	PeJP	NA	NA
+PJ038501	GAPPHHW 	C38H48N12O8	800.3719	NA	PeJP	NA	NA
+PJ038502	GTTTKMY 	C34H56N8O12S	800.3739	NA	PeJP	NA	NA
+PJ038503	PPVYYY 	C42H52N6O10	800.3745	NA	PeJP	NA	NA
+PJ038504	ATMHRW 	C35H52N12O8S	800.3752	NA	PeJP	NA	NA
+PJ038505	PDEERR 	C31H52N12O13	800.3777	NA	PeJP	NA	NA
+PJ038506	GGGGGGGGGGVL 	C31H52N12O13	800.3778	NA	PeJP	NA	NA
+PJ038507	VLEMFY 	C39H56N6O10S	800.3779	NA	PeJP	NA	NA
+PJ038508	VQMMHR 	C32H56N12O8S2	800.3786	NA	PeJP	NA	NA
+PJ038509	SQHHHR 	C32H48N16O9	800.379	NA	PeJP	NA	NA
+PJ038510	TNHHHR 	C32H48N16O9	800.3791	NA	PeJP	NA	NA
+PJ038511	PVDERW 	C36H52N10O11	800.3817	NA	PeJP	NA	NA
+PJ038512	GGGAPKEW 	C36H52N10O11	800.3818	NA	PeJP	NA	NA
+PJ038513	GKHHHW 	C37H48N14O7	800.3831	NA	PeJP	NA	NA
+PJ038514	APPTEMR 	C33H56N10O11S	800.3851	NA	PeJP	NA	NA
+PJ038515	AAKYYW 	C41H52N8O9	800.3857	NA	PeJP	NA	NA
+MJ094831	Antibiotic WIN 66306 	C41H52N8O9	800.385725	NA	MeJP	NA	NA
+PJ038516	APLEWW 	C41H52N8O9	800.3858	NA	PeJP	NA	NA
+PJ038517	NQQQQR 	C30H52N14O12	800.3889	NA	PeJP	NA	NA
+PJ038518	GSPNDRR 	C30H52N14O12	800.389	NA	PeJP	NA	NA
+PJ038519	GPPTLMW 	C38H56N8O9S	800.3891	NA	PeJP	NA	NA
+PJ038520	AMMHRR 	C31H56N14O7S2	800.3898	NA	PeJP	NA	NA
+PJ038521	STTTTKY 	C34H56N8O14	800.3916	NA	PeJP	NA	NA
+PJ038522	TKKMMY 	C35H60N8O9S2	800.3925	NA	PeJP	NA	NA
+PJ038523	TTTHRW 	C35H52N12O10	800.393	NA	PeJP	NA	NA
+PJ038524	PLMFFF 	C43H56N6O7S	800.3932	NA	PeJP	NA	NA
+PJ038525	TLLEYY 	C39H56N6O12	800.3956	NA	PeJP	NA	NA
+PJ038526	TKEMHR 	C32H56N12O10S	800.3963	NA	PeJP	NA	NA
+PJ038527	GGGPVQMR 	C32H56N12O10S	800.3964	NA	PeJP	NA	NA
+PJ038528	LLMMFF 	C40H60N6O7S2	800.3965	NA	PeJP	NA	NA
+PJ038529	GPQKWW 	C40H52N10O8	800.397	NA	PeJP	NA	NA
+PJ038530	NNNQRR 	C29H52N16O11	800.4002	NA	PeJP	NA	NA
+PJ038531	SLKMHW 	C37H56N10O8S	800.4004	NA	PeJP	NA	NA
+PJ038532	TTTTLQH 	C33H56N10O13	800.4028	NA	PeJP	NA	NA
+PJ038533	GPTLEER 	C33H56N10O13	800.4029	NA	PeJP	NA	NA
+PJ038534	GPPLMMR 	C34H60N10O8S2	800.4037	NA	PeJP	NA	NA
+PJ038535	GEHFRR 	C34H52N14O9	800.4042	NA	PeJP	NA	NA
+PJ038536	PLKEEW 	C38H56N8O11	800.4069	NA	PeJP	NA	NA
+PJ038537	TTMHRR 	C31H56N14O9S	800.4076	NA	PeJP	NA	NA
+PJ038538	GVHFRW 	C39H52N12O7	800.4082	NA	PeJP	NA	NA
+MJ094832	Ansatrienin B; 20-O-?-D-Glucopyranoside 	C42H60N2O13	800.40954	NA	MeJP	NA	NA
+PJ038539	SPPLKEM 	C35H60N8O11S	800.4103	NA	PeJP	NA	NA
+PJ038540	PVLFYY 	C43H56N6O9	800.4109	NA	PeJP	NA	NA
+PJ038541	SSTTLHR 	C32H56N12O12	800.4141	NA	PeJP	NA	NA
+PJ038542	VLLMYY 	C40H60N6O9S	800.4143	NA	PeJP	NA	NA
+PJ038543	VKMMHR 	C33H60N12O7S2	800.415	NA	PeJP	NA	NA
+PJ038544	SKHHHR 	C33H52N16O8	800.4154	NA	PeJP	NA	NA
+PJ038545	PTLERW 	C37H56N10O10	800.4181	NA	PeJP	NA	NA
+PJ038546	PCNRRR 	C30H56N16O8S	800.4188	NA	PeJP	NA	NA
+PJ038547	HFRRW 	C38H52N14O6	800.4195	NA	PeJP	NA	NA
+PJ038548	GPVLEMR 	C34H60N10O10S	800.4215	NA	PeJP	NA	NA
+PJ038549	SPLLWW 	C42H56N8O8	800.4221	NA	PeJP	NA	NA
+PJ038550	GPPVVFW 	C42H56N8O8	800.4222	NA	PeJP	NA	NA
+PJ038551	VNQERR 	C31H56N14O11	800.4253	NA	PeJP	NA	NA
+PJ038552	GGGGLERR 	C31H56N14O11	800.4254	NA	PeJP	NA	NA
+PJ038553	AAPLLMW 	C39H60N8O8S	800.4255	NA	PeJP	NA	NA
+PJ038554	SPVLKEE 	C35H60N8O13	800.428	NA	PeJP	NA	NA
+PJ038555	PPVVKMM 	C36H64N8O8S2	800.4289	NA	PeJP	NA	NA
+PJ038556	SPQKRW 	C36H56N12O9	800.4294	NA	PeJP	NA	NA
+PJ038557	PLEMRR 	C33H60N12O9S	800.4327	NA	PeJP	NA	NA
+PJ038558	GPKKWW 	C41H56N10O7	800.4334	NA	PeJP	NA	NA
+PJ038559	GQERRR 	C30H56N16O10	800.4366	NA	PeJP	NA	NA
+PJ038560	PVLMRW 	C38H60N10O7S	800.4368	NA	PeJP	NA	NA
+PJ038561	SSPLLER 	C34H60N10O12	800.4392	NA	PeJP	NA	NA
+PJ038562	AALLEER 	C34H60N10O12	800.4393	NA	PeJP	NA	NA
+PJ038563	GVQRRW 	C35H56N14O8	800.4406	NA	PeJP	NA	NA
+PJ038564	LLLQEW 	C39H60N8O10	800.4433	NA	PeJP	NA	NA
+PJ038565	PNKMRR 	C32H60N14O8S	800.444	NA	PeJP	NA	NA
+PJ038566	SPLLLQM 	C36H64N8O10S	800.4466	NA	PeJP	NA	NA
+PJ038567	APLLKEM 	C36H64N8O10S	800.4467	NA	PeJP	NA	NA
+PJ038568	VLLFFY 	C44H60N6O8	800.4473	NA	PeJP	NA	NA
+MJ094833	Streptothricin; Streptothricin D, N?-Ac 	C33H60N12O11	800.45045	NA	MeJP	NA	NA
+PJ038569	VLEERR 	C33H60N12O11	800.4505	NA	PeJP	NA	NA
+PJ038570	QRRRW 	C34H56N16O7	800.4518	NA	PeJP	NA	NA
+PJ038571	VVLERW 	C38H60N10O9	800.4545	NA	PeJP	NA	NA
+MJ094834	12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H68O15	800.455821	NA	MeJP	NA	NA
+MJ094835	Arenaric acid 	C41H68O15	800.455821	NA	MeJP	NA	NA
+MJ094836	Lankamycin; 2A,3A-Didehydro, 3A-demethoxy 	C41H68O15	800.455821	NA	MeJP	NA	NA
+PJ038572	APTLLMR 	C35H64N10O9S	800.4579	NA	PeJP	NA	NA
+PJ038573	ALLLWW 	C43H60N8O7	800.4585	NA	PeJP	NA	NA
+PJ038574	VNKERR 	C32H60N14O10	800.4617	NA	PeJP	NA	NA
+PJ038575	GLLLKEE 	C36H64N8O12	800.4644	NA	PeJP	NA	NA
+PJ038576	SPKKRW 	C37H60N12O8	800.4657	NA	PeJP	NA	NA
+PJ038577	GAALKRW 	C37H60N12O8	800.4658	NA	PeJP	NA	NA
+PJ038578	AAPKKMR 	C34H64N12O8S	800.4691	NA	PeJP	NA	NA
+PJ038579	GKERRR 	C31H60N16O9	800.473	NA	PeJP	NA	NA
+PJ038580	GTLLLER 	C35H64N10O11	800.4756	NA	PeJP	NA	NA
+PJ038581	GGGLLKKE 	C35H64N10O11	800.4757	NA	PeJP	NA	NA
+PJ038582	GVKRRW 	C36H60N14O7	800.477	NA	PeJP	NA	NA
+PJ038583	LLLKEW 	C40H64N8O9	800.4797	NA	PeJP	NA	NA
+PJ038584	SPLLLKM 	C37H68N8O9S	800.483	NA	PeJP	NA	NA
+PJ038585	GTRRRR 	C30H60N18O8	800.4842	NA	PeJP	NA	NA
+PJ038586	LQKKER 	C34H64N12O10	800.4869	NA	PeJP	NA	NA
+PJ038587	KRRRW 	C35H60N16O6	800.4882	NA	PeJP	NA	NA
+PJ038588	TLLLRW 	C39H64N10O8	800.4909	NA	PeJP	NA	NA
+C08945	Ginsenoside Rf	C42H72O14	800.4922	NA	KEGG	NA	NA
+C08946	Ginsenoside Rg1	C42H72O14	800.4922	NA	KEGG	NA	NA
+MJ094837	20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094838	20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094839	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094840	20,25-Epoxydammarane-3,12,23,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094841	21-Baccharene-3,18,27,28,29-pentol, 27-Deoxy, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094842	Cucurbit-5-ene-3,11,24,25-tetrol, 24-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094843	Cucurbit-5-ene-3,11,24,25-tetrol, 3,24-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094844	Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094845	Cucurbit-5-ene-3,23,24,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094846	Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 25-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094847	Dammar-22-ene-3,12,20,24-tetrol, 3,20-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094848	Dammar-23-ene-2,3,12,20,25-pentol, 20-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094849	Dammar-23-ene-3,12,20,25-tetrol, 3,20-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094850	Dammar-24-ene-3,12,20,26-tetrol, 20-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094851	Dammar-24-ene-3,6,12,20-tetrol, 3,20-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094852	Dammar-24-ene-3,6,12,20-tetrol, 6,20-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094853	Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094854	Dammar-24-ene-3,6,20,26-tetrol, 3,26-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094855	Dammar-25-ene-3,12,20,24-tetrol, 3,20-Di-O-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+MJ094856	Lanost-9(11)-ene-3,22,24,25-tetrol, 3-O-?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside 	C42H72O14	800.492207	NA	MeJP	NA	NA
+PJ038589	GVLLLMR 	C36H68N10O8S	800.4943	NA	PeJP	NA	NA
+PJ038590	VDKKRR 	C33H64N14O9	800.4981	NA	PeJP	NA	NA
+PJ038591	SVLLLKE 	C37H68N8O11	800.5008	NA	PeJP	NA	NA
+PJ038592	ALKKRW 	C38H64N12O7	800.5021	NA	PeJP	NA	NA
+PJ038593	LLLMRR 	C35H68N12O7S	800.5055	NA	PeJP	NA	NA
+PJ038594	SVKRRR 	C32H64N16O8	800.5093	NA	PeJP	NA	NA
+PJ038595	SSLLLLR 	C36H68N10O10	800.512	NA	PeJP	NA	NA
+PJ038596	APLLLKF 	C41H68N8O8	800.516	NA	PeJP	NA	NA
+PJ038597	ALLLLKM 	C38H72N8O8S	800.5194	NA	PeJP	NA	NA
+PJ038598	LKKKER 	C35H68N12O9	800.5233	NA	PeJP	NA	NA
+PJ038599	VLKKKW 	C40H68N10O7	800.5273	NA	PeJP	NA	NA
+PJ038600	TLKKRR 	C34H68N14O8	800.5345	NA	PeJP	NA	NA
+PJ038601	TTLLLLK 	C38H72N8O10	800.5372	NA	PeJP	NA	NA
+PJ038602	ATLLKKK 	C37H72N10O9	800.5484	NA	PeJP	NA	NA
+HMDB10608	PG(18:0/20:3(5Z,8Z,11Z))	C44H81O10P	800.556763	NA	HMDB2010	NA	NA
+HMDB10609	PG(18:0/20:3(8Z,11Z,14Z))	C44H81O10P	800.556763	NA	HMDB2010	NA	NA
+PJ038603	AAKKKKK 	C36H72N12O8	800.5596	NA	PeJP	NA	NA
+MJ094857	Crambescidin 816; 13-Deoxy 	C45H80N6O6	800.613934	NA	MeJP	NA	NA
+HMDB13466	SM(d18:0/22:1(13Z)(OH))	C45H89N2O7P	800.640747	NA	HMDB2010	NA	NA
+MJ094858	Drostanolone; Azine, 17,17'-dihexanoyl 	C52H84N2O4	800.643109	NA	MeJP	NA	NA
+MJ094859	Ergost-5-en-3-ol, O-(6-O-Hexadecanoyl-?-D-glucopyranoside) 	C50H88O7	800.653005	NA	MeJP	NA	NA
+HMDB12105	SM(d18:1/23:0)	C46H93N2O6P	800.677124	NA	HMDB2010	NA	NA
+HMDB05432	1,2,3-propanetriyl ester Hexadecenoic acid	C51H92O6	800.68939	http://www.hmdb.ca/metabolites/HMDB05432	HMDB	NA	NA
+HMDB05432	1,2,3-propanetriyl ester Hexadecenoic acid	C51H92O6	800.68939	HMDB05432	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05432	TG(16:1(9Z)/16:1(9Z)/16:1(9Z))[iso]	C51H92O6	800.689392	NA	HMDB2010	NA	NA
+HMDB10422	TG(16:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	C51H92O6	800.689392	NA	HMDB2010	NA	NA
+3022	kinases inhibitor	KKKLRRQEAFDAL	800.96045	MH2+	Inhouse_peptide	NA	peptide
+HMDB11612	6-Hydroxy flavin adenine dinucleotide	C27H33N9O16P2	801.152039	NA	HMDB2010	NA	NA
+PJ038604	CCCCCMH 	C26H43N9O8S6	801.1559	NA	PeJP	NA	NA
+PJ038605	CCCDDDE 	C26H39N7O16S3	801.1616	NA	PeJP	NA	NA
+PJ038606	GPCCCCCN 	C26H43N9O10S5	801.1737	NA	PeJP	NA	NA
+MJ094860	Mesaconyl-CoA 	C26H41N7O16P2S	801.180572	NA	MeJP	NA	NA
+PJ038607	CCCNNDM 	C26H43N9O12S4	801.1914	NA	PeJP	NA	NA
+PJ038608	GGGGCCCDM 	C26H43N9O12S4	801.1915	NA	PeJP	NA	NA
+PJ038609	SCCDDEM 	C27H43N7O15S3	801.198	NA	PeJP	NA	NA
+PJ038610	PCCCDMM 	C28H47N7O10S5	801.1988	NA	PeJP	NA	NA
+PJ038611	GCCCCQW 	C30H43N9O9S4	801.2067	NA	PeJP	NA	NA
+FL7AAGGA0015	Delphinidin 3-(2-xylosylgalactoside)-5-(6-acetylglucoside)	C34H41O22	801.20894	328899-02-1	knapsack	NA	NA
+PJ038612	GSSCCCNE 	C26H43N9O14S3	801.2092	NA	PeJP	NA	NA
+PJ038613	GCDDDDY 	C30H39N7O17S	801.2124	NA	PeJP	NA	NA
+PJ038614	PCCCDDF 	C31H43N7O12S3	801.2132	NA	PeJP	NA	NA
+PJ038615	GCDDMMM 	C28H47N7O12S4	801.2166	NA	PeJP	NA	NA
+PJ038616	PCCCCHH 	C29H43N11O8S4	801.2179	NA	PeJP	NA	NA
+FL7AAIGL0019	Tibouchinin;Malvidin-3-(6-O-p-coumarylglucoside)-5-glucoside	C38H41O19	801.2242	144940-56-7<BR>51939-51-6	knapsack	NA	NA
+FL7AAIGL0031	Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside	C38H41O19	801.2242	-	knapsack	NA	NA
+FL7AAIGL0037	Malvidin 3-O-(6-O-(4-O-caffeoyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)	C38H41O19	801.2242	769106-18-5	knapsack	NA	NA
+PJ038617	SSCCCNW 	C30H43N9O11S3	801.2244	NA	PeJP	NA	NA
+PJ038618	GGSSCCCW 	C30H43N9O11S3	801.2245	NA	PeJP	NA	NA
+PJ038619	SSSSCCND 	C26H43N9O16S2	801.2269	NA	PeJP	NA	NA
+PJ038620	GGSSSSCCD 	C26H43N9O16S2	801.227	NA	PeJP	NA	NA
+PJ038621	SCCNNMM 	C27H47N9O11S4	801.2278	NA	PeJP	NA	NA
+PJ038622	SPCCDDY 	C31H43N7O14S2	801.231	NA	PeJP	NA	NA
+PJ038623	CCEMMW 	C32H47N7O9S4	801.2318	NA	PeJP	NA	NA
+PJ038624	SSCDEMM 	C28H47N7O14S3	801.2343	NA	PeJP	NA	NA
+PJ038625	SPCCMMM 	C29H51N7O9S5	801.2352	NA	PeJP	NA	NA
+PJ038626	GCCDMHH 	C29H43N11O10S3	801.2357	NA	PeJP	NA	NA
+PJ038627	SCCCCQR 	C26H47N11O10S4	801.239	NA	PeJP	NA	NA
+PJ038628	GGTCCCCR 	C26H47N11O10S4	801.2391	NA	PeJP	NA	NA
+PJ038629	GDDDDEH 	C29H39N9O18	801.2413	NA	PeJP	NA	NA
+PJ038630	GCCNNEY 	C30H43N9O13S2	801.2422	NA	PeJP	NA	NA
+PJ038631	GCCCCKW 	C31H47N9O8S4	801.2431	NA	PeJP	NA	NA
+FL7AAIGL0009	Malvidin 3-rutinoside-5-glucoside	C35H45O21	801.24533	68736-45-8	knapsack	NA	NA
+PJ038632	GSSSCCQM 	C27H47N9O13S3	801.2456	NA	PeJP	NA	NA
+PJ038633	CCDEFW 	C35H43N7O11S2	801.2462	NA	PeJP	NA	NA
+PJ038634	GSDDDMY 	C31H43N7O16S	801.2487	NA	PeJP	NA	NA
+PJ038635	GPCCEMY 	C32H47N7O11S3	801.2496	NA	PeJP	NA	NA
+PJ038636	GSDMMMM 	C29H51N7O11S4	801.253	NA	PeJP	NA	NA
+PJ038637	SSCCEHH 	C29H43N11O12S2	801.2534	NA	PeJP	NA	NA
+PJ038638	GGPCCNDH 	C29H43N11O12S2	801.2535	NA	PeJP	NA	NA
+PJ038639	DDDDHW 	C33H39N9O15	801.2566	NA	PeJP	NA	NA
+PJ038640	GSSSCCCR 	C26H47N11O12S3	801.2568	NA	PeJP	NA	NA
+PJ038641	CCNNYW 	C34H43N9O10S2	801.2575	NA	PeJP	NA	NA
+PJ038642	SSCNNDY 	C30H43N9O15S	801.26	NA	PeJP	NA	NA
+PJ038643	GCCNQMF 	C31H47N9O10S3	801.2608	NA	PeJP	NA	NA
+PJ038644	GGGGACCMF 	C31H47N9O10S3	801.2609	NA	PeJP	NA	NA
+PJ038645	SSSSSCNM 	C27H47N9O15S2	801.2633	NA	PeJP	NA	NA
+PJ038646	SCDEYW 	C35H43N7O13S	801.264	NA	PeJP	NA	NA
+PJ038647	SCCCQKM 	C28H51N9O10S4	801.2642	NA	PeJP	NA	NA
+PJ038648	PCCMYW 	C36H47N7O8S3	801.2649	NA	PeJP	NA	NA
+PJ038649	SSSDDEY 	C31H43N7O18	801.2665	NA	PeJP	NA	NA
+PJ038650	NDEMMY 	C32H47N7O13S2	801.2674	NA	PeJP	NA	NA
+PJ038651	TCMMMW 	C33H51N7O8S4	801.2682	NA	PeJP	NA	NA
+PJ038652	SSSEMMM 	C29H51N7O13S3	801.2707	NA	PeJP	NA	NA
+PJ038653	GNNDDMH 	C29H43N11O14S	801.2712	NA	PeJP	NA	NA
+PJ038654	QMMMMM 	C30H55N7O8S5	801.2716	NA	PeJP	NA	NA
+PJ038655	GCCCNFR 	C30H47N11O9S3	801.2721	NA	PeJP	NA	NA
+PJ038656	SCCCCKR 	C27H51N11O9S4	801.2754	NA	PeJP	NA	NA
+PJ038657	GSDEEEH 	C30H43N9O17	801.2777	NA	PeJP	NA	NA
+PJ038658	CDDMRY 	C31H47N9O12S2	801.2786	NA	PeJP	NA	NA
+PJ038659	GSSSSSSTC 	C27H47N9O17S	801.2811	NA	PeJP	NA	NA
+PJ038660	NDDEFY 	C35H43N7O15	801.2817	NA	PeJP	NA	NA
+PJ038661	GGDDEFY 	C35H43N7O15	801.2818	NA	PeJP	NA	NA
+PJ038662	GSSSCCKM 	C28H51N9O12S3	801.282	NA	PeJP	NA	NA
+PJ038663	SCNNNNH 	C28H43N13O13S	801.2824	NA	PeJP	NA	NA
+PJ038664	GGGGGGSCNH 	C28H43N13O13S	801.2825	NA	PeJP	NA	NA
+PJ038665	GDMMYW 	C36H47N7O10S2	801.2826	NA	PeJP	NA	NA
+PJ038666	CMMMMR 	C29H55N9O7S5	801.2828	NA	PeJP	NA	NA
+PJ038667	GSSEEMY 	C32H47N7O15S	801.2851	NA	PeJP	NA	NA
+PJ038668	GPTCMMY 	C33H51N7O10S3	801.286	NA	PeJP	NA	NA
+PJ038669	CNEHHY 	C33H43N11O11S	801.2864	NA	PeJP	NA	NA
+PJ038670	CNNEHW 	C33H43N11O11S	801.2865	NA	PeJP	NA	NA
+PJ038671	SSNNDEH 	C29H43N11O16	801.289	NA	PeJP	NA	NA
+PJ038672	ASTMMMM 	C30H55N7O10S4	801.2893	NA	PeJP	NA	NA
+PJ038673	GTTMMMM 	C30H55N7O10S4	801.2894	NA	PeJP	NA	NA
+PJ038674	GSCCNRY 	C30H47N11O11S2	801.2898	NA	PeJP	NA	NA
+PJ038675	SDEEHW 	C34H43N9O14	801.293	NA	PeJP	NA	NA
+PJ038676	PCEMHW 	C35H47N9O9S2	801.2939	NA	PeJP	NA	NA
+PJ038677	SSSNNMY 	C31H47N9O14S	801.2963	NA	PeJP	NA	NA
+PJ038678	GGGGSSSMY 	C31H47N9O14S	801.2964	NA	PeJP	NA	NA
+PJ038679	GDDFYW 	C39H43N7O12	801.297	NA	PeJP	NA	NA
+PJ038680	CDMMFR 	C32H51N9O9S3	801.2972	NA	PeJP	NA	NA
+PJ038681	GPCDHHH 	C32H43N13O10S	801.2977	NA	PeJP	NA	NA
+PJ038682	PCCFFW 	C40H47N7O7S2	801.2979	NA	PeJP	NA	NA
+PJ038683	SSSSSSSSS 	C27H47N9O19	801.2988	NA	PeJP	NA	NA
+PJ038684	SSSSTCCK 	C28H51N9O14S2	801.2997	NA	PeJP	NA	NA
+PJ038685	SSEMYW 	C36H47N7O12S	801.3004	NA	PeJP	NA	NA
+PJ038686	SCCCKKM 	C29H55N9O9S4	801.3006	NA	PeJP	NA	NA
+PJ038687	GMMMFW 	C37H51N7O7S3	801.3012	NA	PeJP	NA	NA
+PJ038688	GCNHWW 	C37H43N11O8S	801.3017	NA	PeJP	NA	NA
+PJ038689	SSSTEEY 	C32H47N7O17	801.3029	NA	PeJP	NA	NA
+PJ038690	TQEMMY 	C33H51N7O12S2	801.3037	NA	PeJP	NA	NA
+PJ038691	GSSNDHW 	C33H43N11O13	801.3042	NA	PeJP	NA	NA
+PJ038692	MYYYY 	C41H47N5O10S	801.3044	NA	PeJP	NA	NA
+PJ038693	CQMHHF 	C34H47N11O8S2	801.3051	NA	PeJP	NA	NA
+PJ038694	STTTMMM 	C30H55N7O12S3	801.3071	NA	PeJP	NA	NA
+PJ038695	DDEMHR 	C30H47N11O13S	801.3076	NA	PeJP	NA	NA
+PJ038696	KMMMMM 	C31H59N7O7S5	801.308	NA	PeJP	NA	NA
+PJ038697	AEEMHW 	C35H47N9O11S	801.3116	NA	PeJP	NA	NA
+PJ038698	GSSSSSQY 	C31H47N9O16	801.3141	NA	PeJP	NA	NA
+PJ038699	SDMMRY 	C32H51N9O11S2	801.315	NA	PeJP	NA	NA
+PJ038700	NEEHHH 	C32H43N13O12	801.3155	NA	PeJP	NA	NA
+PJ038701	APCYYW 	C40H47N7O9S	801.3156	NA	PeJP	NA	NA
+PJ038702	CCHHFR 	C33H47N13O7S2	801.3163	NA	PeJP	NA	NA
+PJ038703	AQEEYY 	C36H47N7O14	801.3181	NA	PeJP	NA	NA
+PJ038704	GSCNEHR 	C29H47N13O12S	801.3188	NA	PeJP	NA	NA
+PJ038705	ATMMYW 	C37H51N7O9S2	801.319	NA	PeJP	NA	NA
+3717	NA	YPFGFDG	801.3199	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ038706	GTTTEMY 	C33H51N7O14S	801.3215	NA	PeJP	NA	NA
+PJ038707	VQMMMY 	C34H55N7O9S3	801.3224	NA	PeJP	NA	NA
+PJ038708	SNQMHW 	C34H47N11O10S	801.3228	NA	PeJP	NA	NA
+PJ038709	GGGGTMHW 	C34H47N11O10S	801.3229	NA	PeJP	NA	NA
+PJ038710	GPNDDER 	C30H47N11O15	801.3253	NA	PeJP	NA	NA
+PJ038711	GGGPDDER 	C30H47N11O15	801.3254	NA	PeJP	NA	NA
+PJ038712	QQQMMH 	C31H51N11O10S2	801.3262	NA	PeJP	NA	NA
+PJ038713	GSNNHHH 	C31H43N15O11	801.3267	NA	PeJP	NA	NA
+PJ038714	PPCNWW 	C39H47N9O8S	801.3269	NA	PeJP	NA	NA
+PJ038715	SNQQYY 	C35H47N9O13	801.3293	NA	PeJP	NA	NA
+PJ038716	TTEEHW 	C35H47N9O13	801.3294	NA	PeJP	NA	NA
+PJ038717	PTMMHW 	C36H51N9O8S2	801.3302	NA	PeJP	NA	NA
+PJ038718	GEHHHW 	C36H43N13O9	801.3307	NA	PeJP	NA	NA
+PJ038719	SSSCQKY 	C32H51N9O13S	801.3327	NA	PeJP	NA	NA
+PJ038720	GGAASPPDM 	C32H51N9O13S	801.3328	NA	PeJP	NA	NA
+PJ038721	AAEYYW 	C40H47N7O11	801.3334	NA	PeJP	NA	NA
+PJ038722	AMMMRY 	C33H55N9O8S3	801.3336	NA	PeJP	NA	NA
+PJ038723	SCNHRW 	C33H47N13O9S	801.3341	NA	PeJP	NA	NA
+PJ038724	SSSNDHR 	C29H47N13O14	801.3366	NA	PeJP	NA	NA
+PJ038725	TTTMYW 	C37H51N7O11S	801.3367	NA	PeJP	NA	NA
+PJ038726	GGVEMFY 	C37H51N7O11S	801.3368	NA	PeJP	NA	NA
+PJ038727	FFYYY 	C45H47N5O9	801.3374	NA	PeJP	NA	NA
+PJ038728	GGNMMHR 	C30H51N13O9S2	801.3375	NA	PeJP	NA	NA
+PJ038729	STTTTEY 	C33H51N7O16	801.3392	NA	PeJP	NA	NA
+PJ038730	GPLEEEE 	C33H51N7O16	801.3393	NA	PeJP	NA	NA
+PJ038731	TKEMMY 	C34H55N7O11S2	801.3401	NA	PeJP	NA	NA
+PJ038732	PNDDRW 	C34H47N11O12	801.3406	NA	PeJP	NA	NA
+PJ038733	CKMHHF 	C35H51N11O7S2	801.3415	NA	PeJP	NA	NA
+PJ038734	TEEMHR 	C31H51N11O12S	801.344	NA	PeJP	NA	NA
+PJ038735	GPQEWW 	C39H47N9O10	801.3446	NA	PeJP	NA	NA
+PJ038736	PMMMHR 	C32H55N11O7S3	801.3448	NA	PeJP	NA	NA
+PJ038737	HHHWW 	C40H43N13O6	801.346	NA	PeJP	NA	NA
+PJ038738	GNNNNNR 	C28H47N15O13	801.3478	NA	PeJP	NA	NA
+PJ038739	GGGGGGGGGGGR 	C28H47N15O13	801.3479	NA	PeJP	NA	NA
+PJ038740	SLEMHW 	C36H51N9O10S	801.348	NA	PeJP	NA	NA
+PJ038741	TFYWW 	C44H47N7O8	801.3486	NA	PeJP	NA	NA
+PJ038742	CCQHRR 	C29H51N15O8S2	801.3487	NA	PeJP	NA	NA
+PJ038743	GSSSSSKY 	C32H51N9O15	801.3505	NA	PeJP	NA	NA
+PJ038744	TTMMRY 	C33H55N9O10S2	801.3514	NA	PeJP	NA	NA
+PJ038745	NNDHFR 	C33H47N13O11	801.3518	NA	PeJP	NA	NA
+PJ038746	GGGGDHFR 	C33H47N13O11	801.3519	NA	PeJP	NA	NA
+PJ038747	GVMFYW 	C41H51N7O8S	801.352	NA	PeJP	NA	NA
+PJ038748	PLEEEW 	C37H51N7O13	801.3545	NA	PeJP	NA	NA
+PJ038749	GSSQMHR 	C30H51N13O11S	801.3552	NA	PeJP	NA	NA
+PJ038750	VQMMFF 	C38H55N7O8S2	801.3554	NA	PeJP	NA	NA
+PJ038751	ANQHFW 	C38H47N11O9	801.3558	NA	PeJP	NA	NA
+PJ038752	GQQHFW 	C38H47N11O9	801.3559	NA	PeJP	NA	NA
+PJ038753	SSTTLMY 	C34H55N7O13S	801.3579	NA	PeJP	NA	NA
+PJ038754	VKMMMY 	C35H59N7O8S3	801.3587	NA	PeJP	NA	NA
+PJ038755	PPPVMMM 	C35H59N7O8S3	801.3588	NA	PeJP	NA	NA
+PJ038756	GSPPCRW 	C35H51N11O9S	801.3592	NA	PeJP	NA	NA
+PJ038757	PQWWW 	C43H47N9O7	801.3599	NA	PeJP	NA	NA
+PJ038758	GSPQEER 	C31H51N11O14	801.3617	NA	PeJP	NA	NA
+PJ038759	GGGGGGALQE 	C31H51N11O14	801.3618	NA	PeJP	NA	NA
+PJ038760	VEMMHR 	C32H55N11O9S2	801.3626	NA	PeJP	NA	NA
+PJ038761	SEHHHR 	C32H47N15O10	801.3631	NA	PeJP	NA	NA
+PJ038762	MFRYW 	C40H51N9O7S	801.3632	NA	PeJP	NA	NA
+PJ038763	PCLHFW 	C40H51N9O7S	801.3633	NA	PeJP	NA	NA
+PJ038764	PNKEEW 	C36H51N9O12	801.3657	NA	PeJP	NA	NA
+PJ038765	GGPKEEW 	C36H51N9O12	801.3658	NA	PeJP	NA	NA
+PJ038766	GSSCHRR 	C29H51N15O10S	801.3664	NA	PeJP	NA	NA
+PJ038767	VVMMHW 	C37H55N9O7S2	801.3666	NA	PeJP	NA	NA
+PJ038768	SVHHHW 	C37H47N13O8	801.3671	NA	PeJP	NA	NA
+PJ038769	SSSCKKY 	C33H55N9O12S	801.3691	NA	PeJP	NA	NA
+PJ038770	GTLYYW 	C41H51N7O10	801.3698	NA	PeJP	NA	NA
+PJ038771	LQMHHH 	C34H51N13O8S	801.3705	NA	PeJP	NA	NA
+PJ038772	SSSTQHR 	C30H51N13O13	801.3729	NA	PeJP	NA	NA
+PJ038773	GSPDDRR 	C30H51N13O13	801.373	NA	PeJP	NA	NA
+PJ038774	PTKMYY 	C38H55N7O10S	801.3731	NA	PeJP	NA	NA
+PJ038775	PPPVDMF 	C38H55N7O10S	801.3732	NA	PeJP	NA	NA
+PJ038776	APPCCRR 	C31H55N13O8S2	801.3738	NA	PeJP	NA	NA
+PJ038777	SPVLEEE 	C34H55N7O15	801.3756	NA	PeJP	NA	NA
+PJ038778	PPVVEMM 	C35H59N7O10S2	801.3765	NA	PeJP	NA	NA
+PJ038779	SPQERW 	C35H51N11O11	801.377	NA	PeJP	NA	NA
+PJ038780	SSPPQMR 	C32H55N11O11S	801.3803	NA	PeJP	NA	NA
+PJ038781	AAPQEMR 	C32H55N11O11S	801.3804	NA	PeJP	NA	NA
+PJ038782	GPKEWW 	C40H51N9O9	801.381	NA	PeJP	NA	NA
+PJ038783	CLHHHR 	C33H51N15O7S	801.3817	NA	PeJP	NA	NA
+PJ038784	NNNERR 	C29H51N15O12	801.3842	NA	PeJP	NA	NA
+PJ038785	GSPPKMW 	C37H55N9O9S	801.3844	NA	PeJP	NA	NA
+3272	NA	VTRGDSPA	801.3849	celiac toxic	Inhouse_peptide	NA	peptide
+PJ038786	GVFFFW 	C45H51N7O7	801.385	NA	PeJP	NA	NA
+PJ038787	CCKHRR 	C30H55N15O7S2	801.3851	NA	PeJP	NA	NA
+PJ038788	TTTTLEH 	C33H55N9O14	801.3869	NA	PeJP	NA	NA
+PJ038789	ASLLMMH 	C34H59N9O9S2	801.3877	NA	PeJP	NA	NA
+PJ038790	GTLLMMH 	C34H59N9O9S2	801.3878	NA	PeJP	NA	NA
+PJ038791	GQQQRW 	C34H51N13O10	801.3882	NA	PeJP	NA	NA
+PJ038792	SLKEYY 	C38H55N7O12	801.3909	NA	PeJP	NA	NA
+PJ038793	PNEMRR 	C31H55N13O10S	801.3916	NA	PeJP	NA	NA
+PJ038794	VKMMFF 	C39H59N7O7S2	801.3918	NA	PeJP	NA	NA
+PJ038795	GPTRWW 	C39H51N11O8	801.3922	NA	PeJP	NA	NA
+PJ038796	GGAKHFW 	C39H51N11O8	801.3923	NA	PeJP	NA	NA
+3345	ACE inhibitor	DMIPAQK	801.3923	celiac toxic	Inhouse_peptide	NA	peptide
+PJ038797	APLLEEM 	C35H59N7O12S	801.3943	NA	PeJP	NA	NA
+PJ038798	PVNMRW 	C36H55N11O8S	801.3956	NA	PeJP	NA	NA
+PJ038799	PKWWW 	C44H51N9O6	801.3963	NA	PeJP	NA	NA
+PJ038800	GSPKEER 	C32H55N11O13	801.3981	NA	PeJP	NA	NA
+PJ038801	APPCKMR 	C33H59N11O8S2	801.399	NA	PeJP	NA	NA
+PJ038802	GNNRRW 	C33H51N15O9	801.3995	NA	PeJP	NA	NA
+MJ094861	Liposidomycin; Liposidomycin Y-I, 5,6,8,9-Tetrahydro, 3-deacyl, desulfo 	C36H59N5O15	801.400766	NA	MeJP	NA	NA
+PJ038803	PDKKEW 	C37H55N9O11	801.4021	NA	PeJP	NA	NA
+MJ094862	Tryptophylvalylvalylglycylaspartylvalylglutamine 	C37H55N9O11	801.402103	NA	MeJP	NA	NA
+PJ038804	GGGALLEW 	C37H55N9O11	801.4022	NA	PeJP	NA	NA
+PJ038805	PCDRRR 	C30H55N15O9S	801.4028	NA	PeJP	NA	NA
+8299	ACE inhibitor	RMLGQTP	801.4034	NA  ;SYN:2-Amino-3-(3,4-dihydroxyphenyl)propanoate; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; DL-3',4'-Dihydroxyphenylalanine; 3,4-Dihydroxy-DL-phenylalanine; 3,4-Dihydroxyphenylalanine; 3-(3,4-Dihydroxyphenyl)-DL-alanine;(+/-) 3-(3,4-Dihydroxyphenyl)alanine; DL-3,4-Dihydroxyphenylalanine; DL-3-Hydroxytyrosine; DL-4,5-Dihydroxyphenylalanine; DL-b-(3,4-Dihydroxyphenyl)alanine; a-amino-3,4-dihydroxy-Benzenepropanoate; a-amino-3,4-dihydroxy-Benzenepropanoic acid; b-(3,4-Dihydroxyphenyl)-a-alanine; DL-beta-(3,4-Dihydroxyphenyl)alanine; alpha-amino-3,4-dihydroxy-Benzenepropanoate; alpha-amino-3,4-dihydroxy-Benzenepropanoic acid; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; DL-Dioxyphenylalanine; alpha-amino-Hydrocaffeic acidH2Blood	Inhouse_peptide	NA	peptide
+PJ038806	PKHHHF 	C38H51N13O7	801.4035	NA	PeJP	NA	NA
+PJ038807	STTLLMH 	C34H59N9O11S	801.4055	NA	PeJP	NA	NA
+PJ038808	PTKFFY 	C42H55N7O9	801.4062	NA	PeJP	NA	NA
+PJ038809	GPMRRW 	C35H55N13O7S	801.4069	NA	PeJP	NA	NA
+PJ038810	GSPTERR 	C31H55N13O12	801.4093	NA	PeJP	NA	NA
+PJ038811	VNEERR 	C31H55N13O12	801.4094	NA	PeJP	NA	NA
+PJ038812	VVKMYY 	C39H59N7O9S	801.4095	NA	PeJP	NA	NA
+PJ038813	CKKMHR 	C32H59N13O7S2	801.4102	NA	PeJP	NA	NA
+PJ038814	GLLLEEE 	C35H59N7O14	801.412	NA	PeJP	NA	NA
+PJ038815	PPTLLMM 	C36H63N7O9S2	801.4129	NA	PeJP	NA	NA
+PJ038816	SPKERW 	C36H55N11O10	801.4134	NA	PeJP	NA	NA
+MJ094863	Maridomycin VI 	C39H63NO16	801.414684	NA	MeJP	NA	NA
+MJ094864	Carboxymycobactins; Carboxymycobactin 5 	C40H59N5O12	801.416022	NA	MeJP	NA	NA
+PJ038817	AAPKEMR 	C33H59N11O10S	801.4167	NA	PeJP	NA	NA
+PJ038818	GPVDKMR 	C33H59N11O10S	801.4168	NA	PeJP	NA	NA
+PJ038819	SPVKWW 	C41H55N9O8	801.4174	NA	PeJP	NA	NA
+PJ038820	GEERRR 	C30H55N15O11	801.4206	NA	PeJP	NA	NA
+PJ038821	PLQKMW 	C38H59N9O8S	801.4208	NA	PeJP	NA	NA
+PJ038822	APTKKEE 	C34H59N9O13	801.4233	NA	PeJP	NA	NA
+PJ038823	APPKKMM 	C35H63N9O8S2	801.4241	NA	PeJP	NA	NA
+PJ038824	GVERRW 	C35H55N13O9	801.4246	NA	PeJP	NA	NA
+PJ038825	LLLEEW 	C39H59N7O11	801.4273	NA	PeJP	NA	NA
+PJ038826	PDKMRR 	C32H59N13O9S	801.428	NA	PeJP	NA	NA
+PJ038827	AALRWW 	C40H55N11O7	801.4286	NA	PeJP	NA	NA
+PJ038828	SPLLLEM 	C36H63N7O11S	801.4307	NA	PeJP	NA	NA
+PJ038829	SNNRRR 	C29H55N17O10	801.4318	NA	PeJP	NA	NA
+PJ038830	PCLKRW 	C37H59N11O7S	801.432	NA	PeJP	NA	NA
+PJ038831	LQKEER 	C33H59N11O12	801.4345	NA	PeJP	NA	NA
+PJ038832	KKKMMH 	C34H63N11O7S2	801.4354	NA	PeJP	NA	NA
+PJ038833	ERRRW 	C34H55N15O8	801.4358	NA	PeJP	NA	NA
+PJ038834	GAPKHHR 	C34H55N15O8	801.4359	NA	PeJP	NA	NA
+PJ038835	VLQKEW 	C38H59N9O10	801.4385	NA	PeJP	NA	NA
+PJ038836	SPMRRR 	C31H59N15O8S	801.4392	NA	PeJP	NA	NA
+PJ038837	VRRWW 	C39H55N13O6	801.4399	NA	PeJP	NA	NA
+PJ038838	GPLKKEM 	C35H63N9O10S	801.4419	NA	PeJP	NA	NA
+PJ038839	VVKFFY 	C43H59N7O8	801.4425	NA	PeJP	NA	NA
+PJ038840	PPPVVFF 	C43H59N7O8	801.4426	NA	PeJP	NA	NA
+PJ038841	VDKERR 	C32H59N13O11	801.4457	NA	PeJP	NA	NA
+PJ038842	GGAADKKR 	C32H59N13O11	801.4458	NA	PeJP	NA	NA
+PJ038843	PPVVLMF 	C40H63N7O8S	801.4459	NA	PeJP	NA	NA
+PJ038844	SVLLLEE 	C36H63N7O13	801.4484	NA	PeJP	NA	NA
+PJ038845	PVVLLMM 	C37H67N7O8S2	801.4493	NA	PeJP	NA	NA
+PJ038846	ALKERW 	C37H59N11O9	801.4498	NA	PeJP	NA	NA
+MJ094865	Josamycin S 	C40H67NO15	801.45107	NA	MeJP	NA	NA
+PJ038847	GPTLKMR 	C34H63N11O9S	801.4531	NA	PeJP	NA	NA
+PJ038848	GLLKWW 	C42H59N9O7	801.4538	NA	PeJP	NA	NA
+PJ038849	SVERRR 	C31H59N15O10	801.457	NA	PeJP	NA	NA
+PJ038850	PLKKMW 	C39H63N9O7S	801.4572	NA	PeJP	NA	NA
+PJ038851	SPTLKKE 	C35H63N9O12	801.4596	NA	PeJP	NA	NA
+PJ038852	GVLKKEE 	C35H63N9O12	801.4597	NA	PeJP	NA	NA
+PJ038853	ATLRRW 	C36H59N13O8	801.461	NA	PeJP	NA	NA
+PJ038854	SPPLLLY 	C40H63N7O10	801.4637	NA	PeJP	NA	NA
+PJ038855	VLQMRR 	C33H63N13O8S	801.4644	NA	PeJP	NA	NA
+PJ038856	ALLLLEM 	C37H67N7O10S	801.467	NA	PeJP	NA	NA
+PJ038857	VVVLLEM 	C37H67N7O10S	801.4671	NA	PeJP	NA	NA
+PJ038858	LKKEER 	C34H63N11O11	801.4709	NA	PeJP	NA	NA
+PJ038859	APFRRR 	C35H59N15O7	801.4722	NA	PeJP	NA	NA
+PJ038860	VLKKEW 	C39H63N9O9	801.4749	NA	PeJP	NA	NA
+PJ038861	ALMRRR 	C32H63N15O7S	801.4756	NA	PeJP	NA	NA
+PJ038862	SPVLKKM 	C36H67N9O9S	801.4783	NA	PeJP	NA	NA
+PJ038863	TLKERR 	C33H63N13O10	801.4821	NA	PeJP	NA	NA
+PJ038864	TTLLLLE 	C37H67N7O12	801.4848	NA	PeJP	NA	NA
+PJ038865	SLLKRW 	C38H63N11O8	801.4861	NA	PeJP	NA	NA
+MJ094866	Erythromycin D; 4''-O Propanoyl, 3''-Ac 	C41H71NO14	801.487455	NA	MeJP	NA	NA
+PJ038866	AALLKMR 	C35H67N11O8S	801.4895	NA	PeJP	NA	NA
+PJ038867	TTLRRR 	C32H63N15O9	801.4934	NA	PeJP	NA	NA
+PJ038868	ATLLKKE 	C36H67N9O11	801.496	NA	PeJP	NA	NA
+MJ094867	Nephilatoxin 2 	C37H63N13O7	801.497341	NA	MeJP	NA	NA
+PJ038869	GKKKRW 	C37H63N13O7	801.4974	NA	PeJP	NA	NA
+7565	ACE inhibitor	LHLPLPL	801.498	antioxidative	Inhouse_peptide	NA	peptide
+PJ038870	APLLLLY 	C41H67N7O9	801.5001	NA	PeJP	NA	NA
+PJ038871	VLKMRR 	C34H67N13O7S	801.5008	NA	PeJP	NA	NA
+PJ038872	SLLLLLM 	C38H71N7O9S	801.5034	NA	PeJP	NA	NA
+PJ038873	ATTLLKR 	C35H67N11O10	801.5073	NA	PeJP	NA	NA
+PJ038874	GPLLKKF 	C40H67N9O8	801.5113	NA	PeJP	NA	NA
+PJ038875	GLLLKKM 	C37H71N9O8S	801.5147	NA	PeJP	NA	NA
+PJ038876	DKKKKR 	C34H67N13O9	801.5185	NA	PeJP	NA	NA
+EUR685	PC(36:5) [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR980	PC 36:5 [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR685	PC(36:5) [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR980	PC 36:5 [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR685	PC(36:5) [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR980	PC 36:5 [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR685	PC(36:5) [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	Inhousejuil11	NA	NA
+EUR980	PC 36:5 [M+Na]+	C44H78NO8P	801.528453	masses lipides attendues	Inhousejuil11	NA	NA
+PJ038877	SKKKRR 	C33H67N15O8	801.5297	NA	PeJP	NA	NA
+HMDB08182	PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08215	PC(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08246	PC(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08247	PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08437	PC(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08470	PC(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08501	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+HMDB08502	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	C46H76NO8P	801.530884	NA	HMDB2010	NA	NA
+PJ038878	STLLLKK 	C37H71N9O10	801.5324	NA	PeJP	NA	NA
+PJ038879	ALLLLLF 	C42H71N7O8	801.5364	NA	PeJP	NA	NA
+MJ094868	Nairaiamide A 	C42H71N7O8	801.536412	NA	MeJP	NA	NA
+PJ038880	GTLKKKK 	C36H71N11O9	801.5437	NA	PeJP	NA	NA
+EUR952	PC 34:3 [M+FA-H]-	C42H78NO8P	801.551387	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR952	PC 34:3 [M+FA-H]-	C42H78NO8P	801.551387	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR952	PC 34:3 [M+FA-H]-	C42H78NO8P	801.551387	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR952	PC 34:3 [M+FA-H]-	C42H78NO8P	801.551387	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07952	PC(15:0/22:1(13Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB08560	PC(22:1(13Z)/15:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB08948	PE(16:0/24:1(15Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB08980	PE(16:1(9Z)/24:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09007	PE(18:0/22:1(13Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09039	PE(18:1(11Z)/22:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09072	PE(18:1(9Z)/22:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09230	PE(20:0/20:1(11Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09262	PE(20:1(11Z)/20:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09487	PE(22:0/18:1(11Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09488	PE(22:0/18:1(9Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09519	PE(22:1(13Z)/18:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09716	PE(24:0/16:1(9Z))	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB09748	PE(24:1(15Z)/16:0)	C45H88NO8P	801.624756	NA	HMDB2010	NA	NA
+HMDB05340	GPEtn(20:0/20:1(11Z))	C45H88NO8P	801.62476	http://www.hmdb.ca/metabolites/HMDB05340	HMDB	NA	NA
+HMDB05340	GPEtn(20:0/20:1(11Z))	C45H88NO8P	801.62476	HMDB05340	PFEM_hmdb_metabocards_official	NA	NA
+MJ094869	2-Amino-11-nonadecene-1,3,4-triol; N-(2-Hydroxyeicosanoyl), 1-O-?-D-glucopyranoside 	C45H87NO10	801.632998	NA	MeJP	NA	NA
+HMDB08292	PC(20:0/P-18:0)	C46H92NO7P	801.661133	NA	HMDB2010	NA	NA
+HMDB08554	PC(22:0/P-16:0)	C46H92NO7P	801.661133	NA	HMDB2010	NA	NA
+HMDB11223	PC(P-16:0/22:0)	C46H92NO7P	801.661133	NA	HMDB2010	NA	NA
+HMDB11248	PC(P-18:0/20:0)	C46H92NO7P	801.661133	NA	HMDB2010	NA	NA
+HMDB13416	PC(o-16:1(9Z)/22:0)	C46H92NO7P	801.661133	NA	HMDB2010	NA	NA
+HMDB13430	PC(o-18:1(9Z)/20:0)	C46H92NO7P	801.661133	NA	HMDB2010	NA	NA
+HMDB11695	SM(d17:1/24:0)	C46H94N2O6P	801.684937	NA	HMDB2010	NA	NA
+EUR1116	SM(d18:1/24:0) [M-H-CH3]-	C47H96N2O6P	801.684951	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1116	SM(d18:1/24:0) [M-H-CH3]-	C47H96N2O6P	801.684951	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1116	SM(d18:1/24:0) [M-H-CH3]-	C47H96N2O6P	801.684951	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1116	SM(d18:1/24:0) [M-H-CH3]-	C47H96N2O6P	801.684951	masses lipides attendues	Inhousejuil11	NA	NA
+8237	Antioxidative peptide	AIEWEGIESGSVEQA	801.8605	MH2+	Inhouse_peptide	NA	peptide
+6990	potential coeliac toxic peptide (extended motif)	PQNPSQQQPQEQVP	801.87045	MH2+	Inhouse_peptide	NA	peptide
+7437	coeliac toxic peptide	VQGQGIIQPQQPAQL	801.9255	MH2+	Inhouse_peptide	NA	peptide
+MJ094870	Isomallotinic acid 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094871	Laevigatin A 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094872	Macaranin B 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094873	Mallorepanin 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094874	Mallotinic acid 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094875	Punigluconin 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094876	Rugosin A; 1,2-Di-O-degalloyl 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094877	Sanguiin H7 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094878	Shephagenin B 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094879	Terchebin; 3-O-Degalloyl 	C34H26O23	802.086487	NA	MeJP	NA	NA
+MJ094880	Vitilagin 	C34H26O23	802.086487	NA	MeJP	NA	NA
+C17521	Mallotinic acid	C34H26O23	802.0865	NA	KEGG	NA	NA
+MJ094881	2,3,4,6-Tetragalloylglucose; ?-D-Pyranose-form, Me glycoside 	C35H30O22	802.122872	NA	MeJP	NA	NA
+C09064	Atractyloside	C30H44O16S2	802.1345	NA	KEGG	NA	NA
+PJ038881	GPCCCCCD 	C26H42N8O11S5	802.1577	NA	PeJP	NA	NA
+PJ038882	CCCCDQE 	C26H42N8O13S4	802.1754	NA	PeJP	NA	NA
+PJ038883	CCCNDDM 	C26H42N8O13S4	802.1755	NA	PeJP	NA	NA
+FL5FACGL0035	Quercetin 3-sophoroside-7-glucuronide	C33H38O23	802.18038	140163-57-1	knapsack	NA	NA
+FL5FACGL0037	Quercetin 3-gentiobioside-7-glucuronide	C33H38O23	802.18038	134981-90-1	knapsack	NA	NA
+MJ094882	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 7-O-?-D-glucuronopyranoside 	C33H38O23	802.180387	NA	MeJP	NA	NA
+MJ094883	3,3',4',5,7-Pentahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucuronopyranoside 	C33H38O23	802.180387	NA	MeJP	NA	NA
+MJ094884	3,4',5,6,7-Pentahydroxyflavone; 3,6-Di-O-?-D-glucopyranoside, 7-O-?-D-glucuronopyranoside 	C33H38O23	802.180387	NA	MeJP	NA	NA
+PJ038884	GSCCCCNN 	C25H42N10O12S4	802.1867	NA	PeJP	NA	NA
+PJ038885	GCCCCEW 	C30H42N8O10S4	802.1907	NA	PeJP	NA	NA
+PJ038886	GSSCCCDE 	C26H42N8O15S3	802.1932	NA	PeJP	NA	NA
+PJ038887	GSPCCCCM 	C27H46N8O10S5	802.1941	NA	PeJP	NA	NA
+FL5FACGS0106	Quercetin 3-(2'''-feruloylsophoroside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C37H38O20	802.19564	219745-01-4	knapsack	NA	NA
+MJ094885	Hyperin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl] 	C37H38O20	802.195643	NA	MeJP	NA	NA
+MJ094886	Isoquercitrin; 2''-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl] 	C37H38O20	802.195643	NA	MeJP	NA	NA
+MJ094887	Isoquercitrin; O''-(4-Hydroxy-3-methoxycinnamoyl), 4'-O-?-D-glucopyranoside 	C37H38O20	802.195643	NA	MeJP	NA	NA
+MJ094888	Quercimeritrin; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?3)-?-D-glucopyranoside] 	C37H38O20	802.195643	NA	MeJP	NA	NA
+PJ038888	CCCCWW 	C34H42N8O7S4	802.206	NA	PeJP	NA	NA
+PJ038889	SSCCCDW 	C30H42N8O12S3	802.2085	NA	PeJP	NA	NA
+PJ038890	SSSSCCDD 	C26H42N8O17S2	802.211	NA	PeJP	NA	NA
+PJ038891	SCCNDMM 	C27H46N8O12S4	802.2118	NA	PeJP	NA	NA
+MJ094889	Aurantoside A; O-De-Me 	C35H44Cl2N2O15	802.211874	NA	MeJP	NA	NA
+FL5FADGA0015	Isorhamnetin 3-glucosyl-(1->2)-galactoside-7-glucoside	C34H42O22	802.21677	-	knapsack	NA	NA
+FL5FADGA0016	Isorhamnetin 3-glucosyl-(1->6)-galactoside-7-glucoside;Quercetin 3'-methyl ether  3-glucosyl-(1->6)-galactoside-7-glucoside;3-[(6-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O22	802.21677	157201-73-5	knapsack	NA	NA
+FL5FADGL0018	Isorhamnetin 3-gentiotrioside	C34H42O22	802.21677	84534-25-8	knapsack	NA	NA
+FL5FADGL0024	Isorhamnetin 3-sophoroside-7-glucoside	C34H42O22	802.21677	17331-29-2	knapsack	NA	NA
+FL5FADGL0026	Isorhamnetin 3-gentiobioside-7-glucoside	C34H42O22	802.21677	-	knapsack	NA	NA
+FL5FADGL0031	Isorhamnetin 3-glucoside-7-gentiobioside	C34H42O22	802.21677	60778-00-9	knapsack	NA	NA
+FL5FAHGL0004	Laricitrin 3-rutinoside-7-glucoside	C34H42O22	802.21677	55481-93-1	knapsack	NA	NA
+FL5FCCGA0007	Rhamnetin 3-galactoside-3',4'-diglucoside	C34H42O22	802.21677	106092-16-4	knapsack	NA	NA
+FL5FCCGL0004	Rhamnetin 3,3',4'-triglucoside	C34H42O22	802.21677	105705-95-1	knapsack	NA	NA
+FL5FECGS0066	Spinacetin 3-(2''-apiosylgentiobioside);Quercetagetin 6,3'-dimethyl ether 3-(2''-apiosylgentiobioside);3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one	C34H42O22	802.21677	195206-60-1	knapsack	NA	NA
+FL5FGCGS0002	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-5,6,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C34H42O22	802.21677	228575-23-3	knapsack	NA	NA
+MJ094890	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094891	3,3',4',5,6,7,8-Heptahydroxyflavone; 3'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094892	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-(Digalactosylrhamnoside) 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094893	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3,3',4'-Tri-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094894	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-?-D-Galactopyranoside, 3',4'-di-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094895	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094896	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094897	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 7-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094898	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-galactopyranoside], 7-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094899	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-D-Glucopyranosyl, 7-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094900	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-?-D-Glucopyranosyl, 7-O-?-D-glucopyranoside 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094901	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] 	C34H42O22	802.216773	NA	MeJP	NA	NA
+MJ094902	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C34H42O22	802.216773	NA	MeJP	NA	NA
+PJ038892	SCCCCER 	C26H46N10O11S4	802.2231	NA	PeJP	NA	NA
+PJ038893	GCCNDEY 	C30H42N8O14S2	802.2262	NA	PeJP	NA	NA
+PJ038894	GTCCCMW 	C31H46N8O9S4	802.2271	NA	PeJP	NA	NA
+PJ038895	GSSSCCEM 	C27H46N8O14S3	802.2296	NA	PeJP	NA	NA
+PJ038896	GCCQMMM 	C28H50N8O9S5	802.2305	NA	PeJP	NA	NA
+PJ038897	SCCCNHH 	C28H42N12O10S3	802.2309	NA	PeJP	NA	NA
+PJ038898	PCCNDDH 	C29H42N10O13S2	802.2375	NA	PeJP	NA	NA
+PJ038899	CCNDYW 	C34H42N8O11S2	802.2415	NA	PeJP	NA	NA
+PJ038900	GCCCMMR 	C27H50N10O8S5	802.2417	NA	PeJP	NA	NA
+PJ038901	SSCNDDY 	C30H42N8O16S	802.244	NA	PeJP	NA	NA
+PJ038902	SSSCCMW 	C31H46N8O11S3	802.2448	NA	PeJP	NA	NA
+PJ038903	GGPTCCCY 	C31H46N8O11S3	802.2449	NA	PeJP	NA	NA
+PJ038904	SSSSSCDM 	C27H46N8O16S2	802.2473	NA	PeJP	NA	NA
+PJ038905	SSCNMMM 	C28H50N8O11S4	802.2482	NA	PeJP	NA	NA
+PJ038906	DDEMMY 	C32H46N6O14S2	802.2514	NA	PeJP	NA	NA
+MJ094903	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)][2,3-dihydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C35H46O21	802.253158	NA	MeJP	NA	NA
+MJ094904	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)][3,4-dihydroxycinnamoyl-(?4)]-?-D-glucopyranoside] 	C35H46O21	802.253158	NA	MeJP	NA	NA
+PJ038907	GNDDDMH 	C29H42N10O15S	802.2552	NA	PeJP	NA	NA
+PJ038908	EMMMMM 	C30H54N6O9S5	802.2556	NA	PeJP	NA	NA
+PJ038909	GCCCDFR 	C30H46N10O10S3	802.2561	NA	PeJP	NA	NA
+PJ038910	STCCCMR 	C27H50N10O10S4	802.2594	NA	PeJP	NA	NA
+PJ038911	CCNMFW 	C35H46N8O8S3	802.2601	NA	PeJP	NA	NA
+PJ038912	GSCNEMY 	C31H46N8O13S2	802.2626	NA	PeJP	NA	NA
+PJ038913	PCCCCKF 	C32H50N8O8S4	802.2635	NA	PeJP	NA	NA
+PJ038914	DDDEFY 	C35H42N6O16	802.2658	NA	PeJP	NA	NA
+PJ038915	GSSSTCMM 	C28H50N8O13S3	802.266	NA	PeJP	NA	NA
+PJ038916	SCNNNDH 	C28H42N12O14S	802.2664	NA	PeJP	NA	NA
+PJ038917	GGSCNNDH 	C28H42N12O14S	802.2665	NA	PeJP	NA	NA
+PJ038918	GCCKMMM 	C29H54N8O8S5	802.2669	NA	PeJP	NA	NA
+FL5FABGI0025	8-Prenylkaempferol 4'-methyl ether 3-[4'''-,6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]	C39H46O18	802.26841	-	knapsack	NA	NA
+MJ094905	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[2,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] 	C39H46O18	802.268414	NA	MeJP	NA	NA
+PJ038919	DEMMMF 	C33H50N6O11S3	802.27	NA	PeJP	NA	NA
+PJ038920	CNDEHW 	C33H42N10O12S	802.2705	NA	PeJP	NA	NA
+PJ038921	SSNDDEH 	C29H42N10O17	802.273	NA	PeJP	NA	NA
+PJ038922	GSCCDRY 	C30H46N10O12S2	802.2738	NA	PeJP	NA	NA
+PJ038923	GGSPCDMH 	C30H46N10O12S2	802.2739	NA	PeJP	NA	NA
+PJ038924	NNDDYY 	C34H42N8O15	802.277	NA	PeJP	NA	NA
+PJ038925	SCNMYW 	C35H46N8O10S2	802.2778	NA	PeJP	NA	NA
+PJ038926	GGSCMYW 	C35H46N8O10S2	802.2779	NA	PeJP	NA	NA
+PJ038927	SSSCQEY 	C31H46N8O15S	802.2803	NA	PeJP	NA	NA
+PJ038928	SSSNDMY 	C31H46N8O15S	802.2804	NA	PeJP	NA	NA
+PJ038929	NNMMMY 	C32H50N8O10S3	802.2812	NA	PeJP	NA	NA
+PJ038930	SSSSSSMM 	C28H50N8O15S2	802.2837	NA	PeJP	NA	NA
+PJ038931	PDDMYY 	C36H46N6O13S	802.2844	NA	PeJP	NA	NA
+PJ038932	STCCKMM 	C29H54N8O10S4	802.2846	NA	PeJP	NA	NA
+PJ038933	GCNNQMH 	C29H46N12O11S2	802.2851	NA	PeJP	NA	NA
+PJ038934	GCDHWW 	C37H42N10O9S	802.2857	NA	PeJP	NA	NA
+PJ038935	TEEMMY 	C33H50N6O13S2	802.2878	NA	PeJP	NA	NA
+PJ038936	GSSDDHW 	C33H42N10O14	802.2882	NA	PeJP	NA	NA
+PJ038937	PMMMMY 	C34H54N6O8S4	802.2886	NA	PeJP	NA	NA
+PJ038938	GPTCCHW 	C34H46N10O9S2	802.2891	NA	PeJP	NA	NA
+PJ038939	GSNEEMH 	C30H46N10O14S	802.2916	NA	PeJP	NA	NA
+PJ038940	CCQMRY 	C31H50N10O9S3	802.2925	NA	PeJP	NA	NA
+PJ038941	CCHFFF 	C39H46N8O7S2	802.2931	NA	PeJP	NA	NA
+PJ038942	GSSTCYW 	C35H46N8O12S	802.2956	NA	PeJP	NA	NA
+PJ038943	GCCNNHR 	C28H46N14O10S2	802.2963	NA	PeJP	NA	NA
+PJ038944	GSSSSSEY 	C31H46N8O17	802.2981	NA	PeJP	NA	NA
+PJ038945	GSSQMMY 	C32H50N8O12S2	802.299	NA	PeJP	NA	NA
+PJ038946	DEEHHH 	C32H42N12O13	802.2995	NA	PeJP	NA	NA
+PJ038947	AEEEYY 	C36H46N6O15	802.3021	NA	PeJP	NA	NA
+PJ038948	GSCDEHR 	C29H46N12O13S	802.3028	NA	PeJP	NA	NA
+PJ038949	GGGGGGSSMH 	C29H46N12O13S	802.3029	NA	PeJP	NA	NA
+PJ038950	PDMMFY 	C37H50N6O10S2	802.303	NA	PeJP	NA	NA
+PJ038951	CCCRRY 	C30H50N12O8S3	802.3037	NA	PeJP	NA	NA
+PJ038952	VEMMMY 	C34H54N6O10S3	802.3064	NA	PeJP	NA	NA
+PJ038953	SNEMHW 	C34H46N10O11S	802.3068	NA	PeJP	NA	NA
+PJ038954	GGSEMHW 	C34H46N10O11S	802.3069	NA	PeJP	NA	NA
+PJ038955	SSSQEEH 	C30H46N10O16	802.3093	NA	PeJP	NA	NA
+PJ038956	GPDDDER 	C30H46N10O16	802.3094	NA	PeJP	NA	NA
+PJ038957	GSSCMRY 	C31H50N10O11S2	802.3102	NA	PeJP	NA	NA
+PJ038958	GGGGGAPPCM 	C31H50N10O11S2	802.3103	NA	PeJP	NA	NA
+PJ038959	GSNDHHH 	C31H42N14O12	802.3107	NA	PeJP	NA	NA
+PJ038960	PPCDWW 	C39H46N8O9S	802.3109	NA	PeJP	NA	NA
+PJ038961	SSSSSYW 	C35H46N8O14	802.3134	NA	PeJP	NA	NA
+FL1DA9NC0011	2'''',2''''',2''''''-Trihydroxy-5'',5'''',5'''''-tribenzyldiuvaretin	C51H46O9	802.31418	154879-09-1	knapsack	NA	NA
+FL1DA9NC0012	2'''',2''''',2''''''-Trihydroxy-5''',3'''',5'''''-tribenzylisodiuvaretin	C51H46O9	802.31418	154879-10-4	knapsack	NA	NA
+MJ094906	3'''',5''',5'''''-Tribenzyl-2'''',2''''',2''''''-trihydroxyisodiuvaretin 	C51H46O9	802.314183	NA	MeJP	NA	NA
+MJ094907	5'',5'''',5'''''-Tribenzyl-2'''',2''''',2''''''-trihydroxydiuvaretin 	C51H46O9	802.314183	NA	MeJP	NA	NA
+PJ038962	TCCKYW 	C36H50N8O9S2	802.3142	NA	PeJP	NA	NA
+PJ038963	GGNMMFF 	C36H50N8O9S2	802.3143	NA	PeJP	NA	NA
+PJ038964	SSSTQMY 	C32H50N8O14S	802.3167	NA	PeJP	NA	NA
+PJ038965	SPPNEEM 	C32H50N8O14S	802.3168	NA	PeJP	NA	NA
+PJ038966	PDDFFY 	C40H46N6O12	802.3174	NA	PeJP	NA	NA
+PJ038967	CQKMMY 	C33H54N8O9S3	802.3176	NA	PeJP	NA	NA
+PJ038968	SCDHRW 	C33H46N12O10S	802.3181	NA	PeJP	NA	NA
+MJ094908	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 13-Cinnamoyl, 10-benzoyl, 2,4,7,9-tetra-Ac 	C44H50O14	802.320056	NA	MeJP	NA	NA
+PJ038969	SSSDDHR 	C29H46N12O15	802.3206	NA	PeJP	NA	NA
+PJ038970	PTEMYY 	C37H50N6O12S	802.3208	NA	PeJP	NA	NA
+PJ038971	NDMMHR 	C30H50N12O10S2	802.3215	NA	PeJP	NA	NA
+PJ038972	PMMMFF 	C38H54N6O7S3	802.3216	NA	PeJP	NA	NA
+PJ038973	GSMHWW 	C38H46N10O8S	802.3221	NA	PeJP	NA	NA
+PJ038974	PDDDRW 	C34H46N10O13	802.3246	NA	PeJP	NA	NA
+PJ038975	LMMMMF 	C35H58N6O7S4	802.325	NA	PeJP	NA	NA
+PJ038976	AQMMHW 	C35H50N10O8S2	802.3255	NA	PeJP	NA	NA
+PJ038977	SSSTCRY 	C31H50N10O13S	802.328	NA	PeJP	NA	NA
+PJ038978	GPEEWW 	C39H46N8O11	802.3286	NA	PeJP	NA	NA
+PJ038979	GGGGDFFF 	C39H46N8O11	802.3287	NA	PeJP	NA	NA
+PJ038980	CCKMRY 	C32H54N10O8S3	802.3289	NA	PeJP	NA	NA
+PJ038981	NQMHHH 	C32H46N14O9S	802.3293	NA	PeJP	NA	NA
+PJ038982	GNNNNDR 	C28H46N14O14	802.3318	NA	PeJP	NA	NA
+PJ038983	GGGGGGGNDR 	C28H46N14O14	802.3319	NA	PeJP	NA	NA
+PJ038984	GSPPEMW 	C36H50N8O11S	802.332	NA	PeJP	NA	NA
+PJ038985	CCEHRR 	C29H50N14O9S2	802.3327	NA	PeJP	NA	NA
+PJ038986	GSSSTTTY 	C32H50N8O16	802.3345	NA	PeJP	NA	NA
+PJ038987	GSSKMMY 	C33H54N8O11S2	802.3354	NA	PeJP	NA	NA
+PJ038988	NNNQQW 	C33H46N12O12	802.3358	NA	PeJP	NA	NA
+PJ038989	GGGGNQQW 	C33H46N12O12	802.3359	NA	PeJP	NA	NA
+PJ038990	PDMFFF 	C41H50N6O9S	802.336	NA	PeJP	NA	NA
+PJ038991	ACMHRW 	C34H50N12O7S2	802.3367	NA	PeJP	NA	NA
+MJ094909	Antibiotic A 201A 	C37H50N6O14	802.3385	NA	MeJP	NA	NA
+PJ038992	SLEEYY 	C37H50N6O14	802.3385	NA	PeJP	NA	NA
+PJ038993	GSSEMHR 	C30H50N12O12S	802.3392	NA	PeJP	NA	NA
+PJ038994	GGGGGGGGPCK 	C30H50N12O12S	802.3393	NA	PeJP	NA	NA
+PJ038995	PVMMYY 	C38H54N6O9S2	802.3394	NA	PeJP	NA	NA
+PJ038996	SSTHWW 	C38H46N10O10	802.3399	NA	PeJP	NA	NA
+PJ038997	CNHHHR 	C31H46N16O8S	802.3406	NA	PeJP	NA	NA
+MJ094910	Isoterracinolide A 	C41H54O16	802.341185	NA	MeJP	NA	NA
+PJ038998	SDKMHW 	C35H50N10O10S	802.3432	NA	PeJP	NA	NA
+PJ038999	GGGAPQMW 	C35H50N10O10S	802.3433	NA	PeJP	NA	NA
+PJ039000	PEWWW 	C43H46N8O8	802.3439	NA	PeJP	NA	NA
+PJ039001	GSPEEER 	C31H50N10O15	802.3457	NA	PeJP	NA	NA
+PJ039002	GGGVQQEE 	C31H50N10O15	802.3458	NA	PeJP	NA	NA
+PJ039003	GPPDMMR 	C32H54N10O10S2	802.3466	NA	PeJP	NA	NA
+PJ039004	GSTQHHH 	C32H46N14O11	802.3471	NA	PeJP	NA	NA
+PJ039005	SPPMWW 	C40H50N8O8S	802.3473	NA	PeJP	NA	NA
+PJ039006	TTQQYY 	C36H50N8O13	802.3497	NA	PeJP	NA	NA
+PJ039007	PDKEEW 	C36H50N8O13	802.3498	NA	PeJP	NA	NA
+MJ094911	Naphthomycin A; 30-Dechloro, 30-[(2-acetamidoethyl)thio] 	C44H54N2O10S	802.349916	NA	MeJP	NA	NA
+PJ039008	AAPPMMW 	C37H54N8O8S2	802.3506	NA	PeJP	NA	NA
+PJ039009	PEHHHF 	C37H46N12O9	802.3511	NA	PeJP	NA	NA
+PJ039010	SSSTKMY 	C33H54N8O13S	802.3531	NA	PeJP	NA	NA
+PJ039011	GGAPLEEM 	C33H54N8O13S	802.3532	NA	PeJP	NA	NA
+PJ039012	PPTYYY 	C41H50N6O11	802.3538	NA	PeJP	NA	NA
+PJ039013	CKKMMY 	C34H58N8O8S3	802.354	NA	PeJP	NA	NA
+PJ039014	SSMHRW 	C34H50N12O9S	802.3545	NA	PeJP	NA	NA
+PJ039015	QHFWW 	C42H46N10O7	802.3551	NA	PeJP	NA	NA
+PJ039016	SSSTEHR 	C30H50N12O14	802.357	NA	PeJP	NA	NA
+PJ039017	VVEMYY 	C38H54N6O11S	802.3572	NA	PeJP	NA	NA
+PJ039018	TQMMHR 	C31H54N12O9S2	802.3578	NA	PeJP	NA	NA
+PJ039019	GATMMHR 	C31H54N12O9S2	802.3579	NA	PeJP	NA	NA
+PJ039020	CLHHFF 	C39H50N10O7S	802.3585	NA	PeJP	NA	NA
+PJ039021	SPEERW 	C35H50N10O12	802.361	NA	PeJP	NA	NA
+PJ039022	AKMMHW 	C36H54N10O7S2	802.3619	NA	PeJP	NA	NA
+PJ039023	AAPEEMR 	C32H54N10O12S	802.3644	NA	PeJP	NA	NA
+MJ094912	Dermorphin 	C40H50N8O10	802.364989	NA	MeJP	NA	NA
+PJ039024	SPVEWW 	C40H50N8O10	802.365	NA	PeJP	NA	NA
+PJ039025	GPPCHHR 	C33H50N14O8S	802.3657	NA	PeJP	NA	NA
+PJ039026	NNDERR 	C29H50N14O13	802.3682	NA	PeJP	NA	NA
+PJ039027	PLQEMW 	C37H54N8O10S	802.3684	NA	PeJP	NA	NA
+PJ039028	TCMHRR 	C30H54N14O8S2	802.3691	NA	PeJP	NA	NA
+PJ039029	APTKEEE 	C33H54N8O15	802.3709	NA	PeJP	NA	NA
+PJ039030	APPKEMM 	C34H58N8O10S2	802.3718	NA	PeJP	NA	NA
+PJ039031	GQQERW 	C34H50N12O11	802.3722	NA	PeJP	NA	NA
+PJ039032	GGGAAERW 	C34H50N12O11	802.3723	NA	PeJP	NA	NA
+PJ039033	PVMFFY 	C42H54N6O8S	802.3724	NA	PeJP	NA	NA
+PJ039034	VHHHHH 	C35H46N16O7	802.3736	NA	PeJP	NA	NA
+PJ039035	PDEMRR 	C31H54N12O11S	802.3756	NA	PeJP	NA	NA
+PJ039036	VLMMFY 	C39H58N6O8S2	802.3758	NA	PeJP	NA	NA
+PJ039037	SVQHFW 	C39H50N10O9	802.3762	NA	PeJP	NA	NA
+PJ039038	GVQQWW 	C39H50N10O9	802.3763	NA	PeJP	NA	NA
+PJ039039	PVDMRW 	C36H54N10O9S	802.3796	NA	PeJP	NA	NA
+PJ039040	APPFWW 	C44H50N8O7	802.3803	NA	PeJP	NA	NA
+PJ039041	LQEEER 	C32H54N10O14	802.3821	NA	PeJP	NA	NA
+PJ039042	GGGGALDKE 	C32H54N10O14	802.3822	NA	PeJP	NA	NA
+PJ039043	APPTMMR 	C33H58N10O9S2	802.383	NA	PeJP	NA	NA
+PJ039044	GNDRRW 	C33H50N14O10	802.3835	NA	PeJP	NA	NA
+PJ039045	APLMWW 	C41H54N8O7S	802.3837	NA	PeJP	NA	NA
+MJ094913	N-Deacyltunicamycin; N4''-(10-Methyl-2-dodecenoyl) 	C36H58N4O16	802.384781	NA	MeJP	NA	NA
+MJ094914	N-Deacyltunicamycin; N4''-(11-Methyl-2-dodecenoyl) 	C36H58N4O16	802.384781	NA	MeJP	NA	NA
+PJ039046	LLNEEW 	C37H54N8O12	802.3861	NA	PeJP	NA	NA
+PJ039047	VLQEEW 	C37H54N8O12	802.3862	NA	PeJP	NA	NA
+PJ039048	GSPCQRR 	C30H54N14O10S	802.3868	NA	PeJP	NA	NA
+PJ039049	GGGPTCRR 	C30H54N14O10S	802.3869	NA	PeJP	NA	NA
+PJ039050	CKKMFF 	C38H58N8O7S2	802.387	NA	PeJP	NA	NA
+PJ039051	QQRWW 	C38H50N12O8	802.3875	NA	PeJP	NA	NA
+PJ039052	GPLKEEM 	C34H58N8O12S	802.3895	NA	PeJP	NA	NA
+PJ039053	PVVYYY 	C42H54N6O10	802.3902	NA	PeJP	NA	NA
+PJ039054	PCNKRW 	C35H54N12O8S	802.3909	NA	PeJP	NA	NA
+PJ039055	KHFWW 	C43H50N10O6	802.3915	NA	PeJP	NA	NA
+PJ039056	STTTTHR 	C31H54N12O13	802.3933	NA	PeJP	NA	NA
+PJ039057	VDEERR 	C31H54N12O13	802.3934	NA	PeJP	NA	NA
+PJ039058	TLLMYY 	C39H58N6O10S	802.3935	NA	PeJP	NA	NA
+PJ039059	TKMMHR 	C32H58N12O8S2	802.3942	NA	PeJP	NA	NA
+PJ039060	ALEERW 	C36H54N10O11	802.3974	NA	PeJP	NA	NA
+PJ039061	APHHRW 	C37H50N14O7	802.3987	NA	PeJP	NA	NA
+PJ039062	PPTTTMR 	C33H58N10O11S	802.4007	NA	PeJP	NA	NA
+PJ039063	GPTLEMR 	C33H58N10O11S	802.4008	NA	PeJP	NA	NA
+PJ039064	GLLEWW 	C41H54N8O9	802.4014	NA	PeJP	NA	NA
+PJ039065	GMHFRR 	C34H54N14O7S	802.4021	NA	PeJP	NA	NA
+PJ039066	SQQERR 	C30H54N14O12	802.4046	NA	PeJP	NA	NA
+PJ039067	PLKEMW 	C38H58N8O9S	802.4048	NA	PeJP	NA	NA
+PJ039068	PVFFFF 	C46H54N6O7	802.4054	NA	PeJP	NA	NA
+PJ039069	GVLKEEE 	C34H58N8O14	802.4073	NA	PeJP	NA	NA
+PJ039070	SPPLKMM 	C35H62N8O9S2	802.4081	NA	PeJP	NA	NA
+PJ039071	PPVTKMM 	C35H62N8O9S2	802.4082	NA	PeJP	NA	NA
+PJ039072	GQKERW 	C35H54N12O10	802.4086	NA	PeJP	NA	NA
+PJ039073	VLMFFF 	C43H58N6O7S	802.4088	NA	PeJP	NA	NA
+3983	fragment 264-269 of bovine lactoferrin	EDLIWK	802.4099	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ039074	GSPQKMR 	C32H58N12O10S	802.412	NA	PeJP	NA	NA
+PJ039075	GVQKWW 	C40H54N10O8	802.4126	NA	PeJP	NA	NA
+PJ039076	GGGLKWW 	C40H54N10O8	802.4127	NA	PeJP	NA	NA
+MJ094915	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 23-O-(3,4,5-Trihydroxybenzoyl), 28-O-?-D-glucopyranosyl ester 	C43H62O14	802.413956	NA	MeJP	NA	NA
+PJ039077	SNDRRR 	C29H54N16O11	802.4158	NA	PeJP	NA	NA
+PJ039078	PTLMRW 	C37H58N10O8S	802.416	NA	PeJP	NA	NA
+PJ039079	LLWWW 	C45H54N8O6	802.4167	NA	PeJP	NA	NA
+PJ039080	LKEEER 	C33H58N10O13	802.4185	NA	PeJP	NA	NA
+PJ039081	GPVLMMR 	C34H62N10O8S2	802.4194	NA	PeJP	NA	NA
+PJ039082	GTQRRW 	C34H54N14O9	802.4199	NA	PeJP	NA	NA
+2837	oxitocin	CYIQNCPLG~	802.4209	antibacterial	Inhouse_peptide	NA	peptide
+PJ039083	VLKEEW 	C38H58N8O11	802.4225	NA	PeJP	NA	NA
+PJ039084	GGAPLLEF 	C38H58N8O11	802.4226	NA	PeJP	NA	NA
+PJ039085	VNQMRR 	C31H58N14O9S	802.4232	NA	PeJP	NA	NA
+PJ039086	QKRWW 	C39H54N12O7	802.4239	NA	PeJP	NA	NA
+PJ039087	SPVLKEM 	C35H62N8O11S	802.4259	NA	PeJP	NA	NA
+PJ039088	VVLFYY 	C43H58N6O9	802.4266	NA	PeJP	NA	NA
+PJ039089	PPMFRR 	C36H58N12O7S	802.4273	NA	PeJP	NA	NA
+PJ039090	AATQKER 	C32H58N12O12	802.4297	NA	PeJP	NA	NA
+PJ039091	TLEERR 	C32H58N12O12	802.4298	NA	PeJP	NA	NA
+PJ039092	PLMMRR 	C33H62N12O7S2	802.4306	NA	PeJP	NA	NA
+PJ039093	PTHHRR 	C33H54N16O8	802.4311	NA	PeJP	NA	NA
+PJ039094	SLLERW 	C37H58N10O10	802.4338	NA	PeJP	NA	NA
+PJ039095	GQMRRR 	C30H58N16O8S	802.4345	NA	PeJP	NA	NA
+MJ094916	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-cymaropyranoside] 	C40H66O16	802.435086	NA	MeJP	NA	NA
+MJ094917	Pregn-5-ene-3,20-diol, 20-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-3-O-methyl-?-D-fucopyranoside] 	C40H66O16	802.435086	NA	MeJP	NA	NA
+PJ039096	AALLEMR 	C34H62N10O10S	802.4371	NA	PeJP	NA	NA
+PJ039097	GVVLEMR 	C34H62N10O10S	802.4372	NA	PeJP	NA	NA
+PJ039098	SVLLWW 	C42H58N8O8	802.4378	NA	PeJP	NA	NA
+PJ039099	SQKERR 	C31H58N14O11	802.441	NA	PeJP	NA	NA
+PJ039100	LLLQMW 	C39H62N8O8S	802.4412	NA	PeJP	NA	NA
+PJ039101	ATLLKEE 	C35H62N8O13	802.4437	NA	PeJP	NA	NA
+PJ039102	APLLKMM 	C36H66N8O8S2	802.4445	NA	PeJP	NA	NA
+PJ039103	GKKERW 	C36H58N12O9	802.445	NA	PeJP	NA	NA
+PJ039104	GCRRRR 	C29H58N18O7S	802.4457	NA	PeJP	NA	NA
+PJ039105	VLEMRR 	C33H62N12O9S	802.4484	NA	PeJP	NA	NA
+PJ039106	GVKKWW 	C41H58N10O7	802.449	NA	PeJP	NA	NA
+PJ039107	STQRRR 	C30H58N16O10	802.4522	NA	PeJP	NA	NA
+PJ039108	VVLMRW 	C38H62N10O7S	802.4524	NA	PeJP	NA	NA
+PJ039109	ATTLLER 	C34H62N10O12	802.4549	NA	PeJP	NA	NA
+PJ039110	GTKRRW 	C35H58N14O8	802.4562	NA	PeJP	NA	NA
+PJ039111	GALLHHR 	C35H58N14O8	802.4563	NA	PeJP	NA	NA
+2669	synthetic fr, of human beta-CN (123-129) ACE inhibitor	NLHLPLP	802.4569	NA	Inhouse_peptide	NA	peptide
+PJ039112	GTTLLLW 	C39H62N8O10	802.4589	NA	PeJP	NA	NA
+PJ039113	VNKMRR 	C32H62N14O8S	802.4596	NA	PeJP	NA	NA
+PJ039114	KKRWW 	C40H58N12O6	802.4603	NA	PeJP	NA	NA
+PJ039115	GLLLKEM 	C36H66N8O10S	802.4623	NA	PeJP	NA	NA
+PJ039116	DKKKER 	C33H62N12O11	802.4661	NA	PeJP	NA	NA
+PJ039117	GGGGATKKK 	C33H62N12O11	802.4662	NA	PeJP	NA	NA
+7575	ACE inhibitor from chicken muscle	FQKPKR	802.467	antioxidative	Inhouse_peptide	NA	peptide
+PJ039118	VVHHRR 	C34H58N16O7	802.4675	NA	PeJP	NA	NA
+37	Myosin	FQKPKR	802.47	celiac toxic	Inhouse_peptide	NA	peptide
+PJ039119	VDKKKW 	C38H62N10O9	802.4702	NA	PeJP	NA	NA
+PJ039120	GKMRRR 	C31H62N16O7S	802.4709	NA	PeJP	NA	NA
+MJ094918	20,24-Epoxydammarane-3,6,12,25,26-pentol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H70O15	802.471471	NA	MeJP	NA	NA
+MJ094919	Dammar-23-ene-2,3,12,20,25-pentol, 25-Hydroperoxide, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H70O15	802.471471	NA	MeJP	NA	NA
+MJ094920	Ergost-22-ene-3,6,8,15,16,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] 	C41H70O15	802.471471	NA	MeJP	NA	NA
+PJ039121	GTLLLMR 	C35H66N10O9S	802.4735	NA	PeJP	NA	NA
+PJ039122	PLLKFW 	C43H62N8O7	802.4742	NA	PeJP	NA	NA
+PJ039123	SKKERR 	C32H62N14O10	802.4774	NA	PeJP	NA	NA
+PJ039124	LLLKMW 	C40H66N8O7S	802.4775	NA	PeJP	NA	NA
+PJ039125	STLLLKE 	C36H66N8O12	802.48	NA	PeJP	NA	NA
+PJ039126	GSSTLLLL 	C36H66N8O12	802.4801	NA	PeJP	NA	NA
+PJ039127	SVKKRW 	C37H62N12O8	802.4814	NA	PeJP	NA	NA
+PJ039128	LQKKMR 	C34H66N12O8S	802.4848	NA	PeJP	NA	NA
+PJ039129	STKRRR 	C31H62N16O9	802.4886	NA	PeJP	NA	NA
+PJ039130	STTLLLR 	C35H66N10O11	802.4913	NA	PeJP	NA	NA
+PJ039131	LLKHHR 	C36H62N14O7	802.4926	NA	PeJP	NA	NA
+PJ039132	GPLLLKY 	C40H66N8O9	802.4953	NA	PeJP	NA	NA
+PJ039133	CLKKRR 	C33H66N14O7S	802.496	NA	PeJP	NA	NA
+PJ039134	SVLLLKM 	C37H70N8O9S	802.4987	NA	PeJP	NA	NA
+PJ039135	GTTLKKR 	C34H66N12O10	802.5025	NA	PeJP	NA	NA
+PJ039136	TLKKKW 	C39H66N10O8	802.5065	NA	PeJP	NA	NA
+PJ039137	GVLKKKM 	C36H70N10O8S	802.5099	NA	PeJP	NA	NA
+PJ039138	VLLFRR 	C38H66N12O7	802.5178	NA	PeJP	NA	NA
+PJ039139	LKKKMR 	C35H70N12O7S	802.5211	NA	PeJP	NA	NA
+PJ039140	SSLLKKK 	C36H70N10O10	802.5277	NA	PeJP	NA	NA
+PJ039141	GLLLLKF 	C41H70N8O8	802.5317	NA	PeJP	NA	NA
+PJ039142	GSKKKKK 	C35H70N12O9	802.5389	NA	PeJP	NA	NA
+MJ094921	2-Polyprenyl-1,4-benzenediol; 2-Nonaprenyl-1,4-benzenediol, 1-Sulfate 	C51H78O5S	802.556996	NA	MeJP	NA	NA
+MJ094922	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetrahydro, 20-pentadecanoyl 	C51H78O7	802.574754	NA	MeJP	NA	NA
+EUR1097	SM(d18:1/20:1) [M+FA-H]-	C43H85N2O6P	802.619406	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1097	SM(d18:1/20:1) [M+FA-H]-	C43H85N2O6P	802.619406	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1097	SM(d18:1/20:1) [M+FA-H]-	C43H85N2O6P	802.619406	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1097	SM(d18:1/20:1) [M+FA-H]-	C43H85N2O6P	802.619406	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12093	SM(d18:0/23:0)	C46H95N2O6P	802.692749	NA	HMDB2010	NA	NA
+HMDB05376	TG(16:0/16:1(9Z)/16:1(9Z))[iso3]	C51H94O6	802.705017	NA	HMDB2010	NA	NA
+HMDB10415	TG(16:0/14:0/18:2(9Z,12Z))[iso6]	C51H94O6	802.705017	NA	HMDB2010	NA	NA
+HMDB10420	TG(16:1(9Z)/14:0/18:1(11Z))[iso6]	C51H94O6	802.705017	NA	HMDB2010	NA	NA
+HMDB10421	TG(16:1(9Z)/14:0/18:1(9Z))[iso6]	C51H94O6	802.705017	NA	HMDB2010	NA	NA
+HMDB05376	TG(16:0/16:1(9Z)/16:1(9Z))[iso3]	C51H94O6	802.70502	http://www.hmdb.ca/metabolites/HMDB05376	HMDB	NA	NA
+HMDB05376	TG(16:0/16:1(9Z)/16:1(9Z))[iso3]	C51H94O6	802.70502	HMDB05376	PFEM_hmdb_metabocards_official	NA	NA
+MJ094923	Solamin; 15-Hexadecanoyl 	C51H94O6	802.70504	NA	MeJP	NA	NA
+PJ039143	CCCDDDM 	C26H41N7O14S4	803.1595	NA	PeJP	NA	NA
+PJ039144	GSCCCCND 	C25H41N9O13S4	803.1707	NA	PeJP	NA	NA
+PJ039145	CCCCNQM 	C26H45N9O10S5	803.1893	NA	PeJP	NA	NA
+PJ039146	SCCDDMM 	C27H45N7O13S4	803.1958	NA	PeJP	NA	NA
+PJ039147	TCCCDEM 	C27H45N7O13S4	803.1959	NA	PeJP	NA	NA
+PJ039148	CCCCCNR 	C25H45N11O9S5	803.2006	NA	PeJP	NA	NA
+PJ039149	GSSCCCNM 	C26H45N9O12S4	803.2071	NA	PeJP	NA	NA
+PJ039150	GCCDDEY 	C30H41N7O15S2	803.2102	NA	PeJP	NA	NA
+PJ039151	PCCCCEF 	C31H45N7O10S4	803.2111	NA	PeJP	NA	NA
+PJ039152	GCCEMMM 	C28H49N7O10S5	803.2145	NA	PeJP	NA	NA
+PJ039153	SCCCDHH 	C28H41N11O11S3	803.2149	NA	PeJP	NA	NA
+PJ039154	PCCDDDH 	C29H41N9O14S2	803.2215	NA	PeJP	NA	NA
+FL7AAHGL0006	Petunidin 3-gentiotrioside	C34H43O22	803.22459	-	knapsack	NA	NA
+PJ039155	SSSSCCCQ 	C26H45N9O14S3	803.2248	NA	PeJP	NA	NA
+PJ039156	CCDDYW 	C34H41N7O12S2	803.2255	NA	PeJP	NA	NA
+PJ039157	CCCCNKM 	C27H49N9O9S5	803.2257	NA	PeJP	NA	NA
+PJ039158	SSCDDDY 	C30H41N7O17S	803.228	NA	PeJP	NA	NA
+PJ039159	SPCCCEY 	C31H45N7O12S3	803.2289	NA	PeJP	NA	NA
+PJ039160	CCMMMW 	C32H49N7O7S5	803.2297	NA	PeJP	NA	NA
+PJ039161	SSCDMMM 	C28H49N7O12S4	803.2322	NA	PeJP	NA	NA
+PJ039162	ACCCMHH 	C29H45N11O8S4	803.2336	NA	PeJP	NA	NA
+PJ039163	GDDDDMH 	C29H41N9O16S	803.2392	NA	PeJP	NA	NA
+PJ039164	GCCNNMY 	C30H45N9O11S3	803.2401	NA	PeJP	NA	NA
+PJ039165	GSSSSSSCC 	C26H45N9O16S2	803.2426	NA	PeJP	NA	NA
+PJ039166	GSTCCCCK 	C27H49N9O11S4	803.2435	NA	PeJP	NA	NA
+PJ039167	CCDMFW 	C35H45N7O9S3	803.2441	NA	PeJP	NA	NA
+PJ039168	GSCDEMY 	C31H45N7O14S2	803.2466	NA	PeJP	NA	NA
+PJ039169	GPCCMMY 	C32H49N7O9S4	803.2475	NA	PeJP	NA	NA
+MJ094924	5,10-Methenyltetrahydromethanopterin 	C31H44N6O17P	803.250055	NA	MeJP	NA	NA
+MetaCyc04149	5-formyl-tetrahydromethanopterin [N5-formyl-5,6,7,8-tetrahydromethanopterin;5-formyl-5,6,7,8-tetrahydromethanopterin;5-formyl-H4MPT;formyl-H4MPT;5-formyl-THMPT;]	C31H44N6O17P1	803.250056	NA	metacyc	NA	NA
+PJ039170	SCNNDDH 	C28H41N11O15S	803.2505	NA	PeJP	NA	NA
+PJ039171	GTCMMMM 	C29H53N7O9S5	803.2509	NA	PeJP	NA	NA
+PJ039172	SSCCMHH 	C29H45N11O10S3	803.2513	NA	PeJP	NA	NA
+PJ039173	GGGAPCCCH 	C29H45N11O10S3	803.2514	NA	PeJP	NA	NA
+PJ039174	CDDEHW 	C33H41N9O13S	803.2545	NA	PeJP	NA	NA
+PJ039175	SSDDDEH 	C29H41N9O18	803.257	NA	PeJP	NA	NA
+PJ039176	SSCCNQY 	C30H45N9O13S2	803.2578	NA	PeJP	NA	NA
+PJ039177	GGSSCCQY 	C30H45N9O13S2	803.2579	NA	PeJP	NA	NA
+PJ039178	NDDDYY 	C34H41N7O16	803.261	NA	PeJP	NA	NA
+PJ039179	SSSSCCCK 	C27H49N9O13S3	803.2612	NA	PeJP	NA	NA
+PJ039180	SCDMYW 	C35H45N7O11S2	803.2619	NA	PeJP	NA	NA
+PJ039181	SSSDDMY 	C31H45N7O16S	803.2644	NA	PeJP	NA	NA
+PJ039182	NDMMMY 	C32H49N7O11S3	803.2652	NA	PeJP	NA	NA
+PJ039183	GGDMMMY 	C32H49N7O11S3	803.2653	NA	PeJP	NA	NA
+PJ039184	SSSMMMM 	C29H53N7O11S4	803.2686	NA	PeJP	NA	NA
+PJ039185	GCNNEMH 	C29H45N11O12S2	803.2691	NA	PeJP	NA	NA
+MJ094925	Coomassie brilliant blue R 	C45H45N3O7S2	803.269892	NA	MeJP	NA	NA
+PJ039186	GCCNNFF 	C34H45N9O10S2	803.2731	NA	PeJP	NA	NA
+PJ039187	GSSSSCNY 	C30H45N9O15S	803.2756	NA	PeJP	NA	NA
+PJ039188	CCEMRY 	C31H49N9O10S3	803.2765	NA	PeJP	NA	NA
+PJ039189	GSPCDYY 	C35H45N7O13S	803.2796	NA	PeJP	NA	NA
+PJ039190	GCCNDHR 	C28H45N13O11S2	803.2803	NA	PeJP	NA	NA
+PJ039191	ACMMYW 	C36H49N7O8S3	803.2805	NA	PeJP	NA	NA
+PJ039192	APDDEEE 	C31H45N7O18	803.2821	NA	PeJP	NA	NA
+PJ039193	GPDEEEE 	C31H45N7O18	803.2822	NA	PeJP	NA	NA
+PJ039194	GSSEMMY 	C32H49N7O13S2	803.283	NA	PeJP	NA	NA
+PJ039195	NMMMMF 	C33H53N7O8S4	803.2839	NA	PeJP	NA	NA
+PJ039196	CNNMHW 	C33H45N11O9S2	803.2843	NA	PeJP	NA	NA
+PJ039197	GGCNMHW 	C33H45N11O9S2	803.2844	NA	PeJP	NA	NA
+PJ039198	SSNNDMH 	C29H45N11O14S	803.2868	NA	PeJP	NA	NA
+PJ039199	GGSSNDMH 	C29H45N11O14S	803.2869	NA	PeJP	NA	NA
+PJ039200	PCCCNKH 	C30H49N11O9S3	803.2877	NA	PeJP	NA	NA
+PJ039201	SDEMHW 	C34H45N9O12S	803.2909	NA	PeJP	NA	NA
+PJ039202	PCMMHW 	C35H49N9O7S3	803.2917	NA	PeJP	NA	NA
+PJ039203	SSSEEEH 	C30H45N9O17	803.2934	NA	PeJP	NA	NA
+PJ039204	SSCCNKY 	C31H49N9O12S2	803.2942	NA	PeJP	NA	NA
+PJ039205	GAEEMMH 	C31H49N9O12S2	803.2943	NA	PeJP	NA	NA
+PJ039206	GSDDHHH 	C31H41N13O13	803.2947	NA	PeJP	NA	NA
+PJ039207	GCEFYW 	C39H45N7O10S	803.2949	NA	PeJP	NA	NA
+PJ039208	APCCHHH 	C32H45N13O8S2	803.2956	NA	PeJP	NA	NA
+PJ039209	PDEEEW 	C35H45N7O15	803.2974	NA	PeJP	NA	NA
+PJ039210	SSMMYW 	C36H49N7O10S2	803.2982	NA	PeJP	NA	NA
+PJ039211	TTCMYW 	C36H49N7O10S2	803.2983	NA	PeJP	NA	NA
+PJ039212	SSSTEMY 	C32H49N7O15S	803.3007	NA	PeJP	NA	NA
+PJ039213	TTTTCDY 	C32H49N7O15S	803.3008	NA	PeJP	NA	NA
+PJ039214	TQMMMY 	C33H53N7O10S3	803.3016	NA	PeJP	NA	NA
+PJ039215	GSSCQHW 	C33H45N11O11S	803.3021	NA	PeJP	NA	NA
+PJ039216	GSSSSNEH 	C29H45N11O16	803.3046	NA	PeJP	NA	NA
+PJ039217	DDMMHR 	C30H49N11O11S2	803.3055	NA	PeJP	NA	NA
+MJ094926	Latosillan 	C32H53NO22	803.305922	NA	MeJP	NA	NA
+PJ039218	PCDHFW 	C38H45N9O9S	803.3061	NA	PeJP	NA	NA
+PJ039219	GSPNDEW 	C34H45N9O14	803.3086	NA	PeJP	NA	NA
+PJ039220	AEMMHW 	C35H49N9O9S2	803.3095	NA	PeJP	NA	NA
+PJ039221	CFYWW 	C43H45N7O7S	803.3101	NA	PeJP	NA	NA
+PJ039222	GTTEEMH 	C31H49N9O14S	803.312	NA	PeJP	NA	NA
+PJ039223	GSEYYW 	C39H45N7O12	803.3126	NA	PeJP	NA	NA
+PJ039224	NDDFFF 	C39H45N7O12	803.3127	NA	PeJP	NA	NA
+PJ039225	TCMMRY 	C32H53N9O9S3	803.3129	NA	PeJP	NA	NA
+PJ039226	NEMHHH 	C32H45N13O10S	803.3133	NA	PeJP	NA	NA
+PJ039227	GGEMHHH 	C32H45N13O10S	803.3134	NA	PeJP	NA	NA
+PJ039228	ACMFFW 	C40H49N7O7S2	803.3135	NA	PeJP	NA	NA
+PJ039229	GNNNDDR 	C28H45N13O15	803.3158	NA	PeJP	NA	NA
+PJ039230	GGGNNDDR 	C28H45N13O15	803.3159	NA	PeJP	NA	NA
+PJ039231	AQEMYY 	C36H49N7O12S	803.316	NA	PeJP	NA	NA
+PJ039232	GSCNMHR 	C29H49N13O10S2	803.3167	NA	PeJP	NA	NA
+PJ039233	CNHHFF 	C37H45N11O8S	803.3174	NA	PeJP	NA	NA
+PJ039234	APTEEEE 	C32H49N7O17	803.3185	NA	PeJP	NA	NA
+PJ039235	GTTTMMY 	C33H53N7O12S2	803.3194	NA	PeJP	NA	NA
+PJ039236	SSSSNHW 	C33H45N11O13	803.3198	NA	PeJP	NA	NA
+PJ039237	GGSSSSHW 	C33H45N11O13	803.3199	NA	PeJP	NA	NA
+PJ039238	CCQKHW 	C34H49N11O8S2	803.3207	NA	PeJP	NA	NA
+PJ039239	GPNDDMR 	C30H49N11O13S	803.3232	NA	PeJP	NA	NA
+PJ039240	GGGPDDMR 	C30H49N11O13S	803.3233	NA	PeJP	NA	NA
+MJ094927	Pacidamycin 4 	C38H45N9O11	803.323853	NA	MeJP	NA	NA
+PJ039241	SPNDWW 	C38H45N9O11	803.3239	NA	PeJP	NA	NA
+PJ039242	CDHHHR 	C31H45N15O9S	803.3246	NA	PeJP	NA	NA
+PJ039243	SSPPCQW 	C35H49N9O11S	803.3272	NA	PeJP	NA	NA
+PJ039244	TTEMHW 	C35H49N9O11S	803.3273	NA	PeJP	NA	NA
+PJ039245	SYYWW 	C43H45N7O9	803.3279	NA	PeJP	NA	NA
+PJ039246	GMHHHW 	C36H45N13O7S	803.3286	NA	PeJP	NA	NA
+PJ039247	STTTEEH 	C31H49N9O16	803.3297	NA	PeJP	NA	NA
+PJ039248	TTTTDEH 	C31H49N9O16	803.3298	NA	PeJP	NA	NA
+PJ039249	KEEMMH 	C32H53N9O11S2	803.3306	NA	PeJP	NA	NA
+PJ039250	GSTEHHH 	C32H45N13O12	803.3311	NA	PeJP	NA	NA
+PJ039251	AAMYYW 	C40H49N7O9S	803.3313	NA	PeJP	NA	NA
+PJ039252	SDKEYY 	C36H49N7O14	803.3338	NA	PeJP	NA	NA
+PJ039253	SSSCQHR 	C29H49N13O12S	803.3345	NA	PeJP	NA	NA
+PJ039254	PCKMYY 	C37H53N7O9S2	803.3346	NA	PeJP	NA	NA
+PJ039255	GGVMMFY 	C37H53N7O9S2	803.3347	NA	PeJP	NA	NA
+PJ039256	GNNQWW 	C37H45N11O10	803.3351	NA	PeJP	NA	NA
+2876	opioid fragment of dermorphin	YAFGYPS	803.336	antibacterial	Inhouse_peptide	NA	peptide
+MJ094928	?-Rhodomycinone; 10-Epimer, 7-O-[2,6-dideoxy-?-L-lyxo-hexopyranosyl-(1?4)-2,6-dideoxy-?-L-lyxo-hexopyranosyl-(1?4)-3-(dimethylamino)-2,3,6-trideoxy-?-L-lyxo-hexopyranoside] 	C40H53NO16	803.336434	NA	MeJP	NA	NA
+PJ039257	STTTTMY 	C33H53N7O14S	803.3371	NA	PeJP	NA	NA
+PJ039258	GPLEEEM 	C33H53N7O14S	803.3372	NA	PeJP	NA	NA
+PJ039259	TKMMMY 	C34H57N7O9S3	803.338	NA	PeJP	NA	NA
+PJ039260	PCNERW 	C34H49N11O10S	803.3385	NA	PeJP	NA	NA
+PJ039261	EHFWW 	C42H45N9O8	803.3391	NA	PeJP	NA	NA
+PJ039262	NQEEER 	C30H49N11O15	803.341	NA	PeJP	NA	NA
+PJ039263	TEMMHR 	C31H53N11O10S2	803.3419	NA	PeJP	NA	NA
+PJ039264	GPQMWW 	C39H49N9O8S	803.3425	NA	PeJP	NA	NA
+PJ039265	VNQEEW 	C35H49N9O13	803.345	NA	PeJP	NA	NA
+PJ039266	SLMMHW 	C36H53N9O8S2	803.3459	NA	PeJP	NA	NA
+PJ039267	STHHHW 	C36H45N13O9	803.3463	NA	PeJP	NA	NA
+PJ039268	PNNHHW 	C36H45N13O9	803.3464	NA	PeJP	NA	NA
+PJ039269	SSTLEMH 	C32H53N9O13S	803.3484	NA	PeJP	NA	NA
+PJ039270	ATTYYW 	C40H49N7O11	803.349	NA	PeJP	NA	NA
+PJ039271	AALMMMH 	C33H57N9O8S3	803.3493	NA	PeJP	NA	NA
+PJ039272	CNQHFR 	C33H49N13O9S	803.3497	NA	PeJP	NA	NA
+MJ094929	Taxol?; 7-Epimer, 10-de-Ac, 10-ketone, N-debenzoyl, N-hexanoyl 	C44H53NO13	803.35169	NA	MeJP	NA	NA
+PJ039273	NDDERR 	C29H49N13O14	803.3522	NA	PeJP	NA	NA
+PJ039274	GGGGGGGTER 	C29H49N13O14	803.3523	NA	PeJP	NA	NA
+PJ039275	PLEEMW 	C37H53N7O11S	803.3524	NA	PeJP	NA	NA
+PJ039276	GTCCKHR 	C30H53N13O9S2	803.3531	NA	PeJP	NA	NA
+PJ039277	GPCRWW 	C38H49N11O7S	803.3538	NA	PeJP	NA	NA
+PJ039278	GVLEEEE 	C33H53N7O16	803.3549	NA	PeJP	NA	NA
+PJ039279	SPPLEMM 	C34H57N7O11S2	803.3558	NA	PeJP	NA	NA
+PJ039280	ANEERW 	C34H49N11O12	803.3562	NA	PeJP	NA	NA
+PJ039281	GQEERW 	C34H49N11O12	803.3563	NA	PeJP	NA	NA
+PJ039282	CCKKHW 	C35H53N11O7S2	803.3571	NA	PeJP	NA	NA
+PJ039283	GSPQEMR 	C31H53N11O12S	803.3596	NA	PeJP	NA	NA
+PJ039284	GGGGGGGAALM 	C31H53N11O12S	803.3597	NA	PeJP	NA	NA
+PJ039285	GVQEWW 	C39H49N9O10	803.3603	NA	PeJP	NA	NA
+PJ039286	VMMMHR 	C32H57N11O7S3	803.3605	NA	PeJP	NA	NA
+PJ039287	SMHHHR 	C32H49N15O8S	803.361	NA	PeJP	NA	NA
+PJ039288	PNKEMW 	C36H53N9O10S	803.3636	NA	PeJP	NA	NA
+PJ039289	GGGSPLMW 	C36H53N9O10S	803.3637	NA	PeJP	NA	NA
+PJ039290	AAFFYW 	C44H49N7O8	803.3643	NA	PeJP	NA	NA
+PJ039291	LEEEER 	C32H53N9O15	803.3661	NA	PeJP	NA	NA
+PJ039292	GGGVKEEE 	C32H53N9O15	803.3662	NA	PeJP	NA	NA
+PJ039293	ATTLMMH 	C33H57N9O10S2	803.367	NA	PeJP	NA	NA
+PJ039294	GDDRRW 	C33H49N13O11	803.3675	NA	PeJP	NA	NA
+PJ039295	PCKFFY 	C41H53N7O8S	803.3677	NA	PeJP	NA	NA
+PJ039296	ASSTLYY 	C37H53N7O13	803.3701	NA	PeJP	NA	NA
+MJ094930	Formestin A; 1'''-Deoxy, 1',3''-lactone 	C37H53N7O13	803.370134	NA	MeJP	NA	NA
+MJ094931	Formestin A; 1'''-Deoxy, 2''',3''-lactone 	C37H53N7O13	803.370134	NA	MeJP	NA	NA
+PJ039297	VLEEEW 	C37H53N7O13	803.3702	NA	PeJP	NA	NA
+PJ039298	SSSCKHR 	C30H53N13O11S	803.3708	NA	PeJP	NA	NA
+PJ039299	GSPCERR 	C30H53N13O11S	803.3709	NA	PeJP	NA	NA
+PJ039300	CLKMFY 	C38H57N7O8S2	803.371	NA	PeJP	NA	NA
+PJ039301	QERWW 	C38H49N11O9	803.3715	NA	PeJP	NA	NA
+PJ039302	SPVLEEM 	C34H57N7O13S	803.3735	NA	PeJP	NA	NA
+PJ039303	PPVVMMM 	C35H61N7O8S3	803.3744	NA	PeJP	NA	NA
+PJ039304	SPQMRW 	C35H53N11O9S	803.3749	NA	PeJP	NA	NA
+PJ039305	VQWWW 	C43H49N9O7	803.3755	NA	PeJP	NA	NA
+PJ039306	NKEEER 	C31H53N11O14	803.3774	NA	PeJP	NA	NA
+PJ039307	AAPQMMR 	C32H57N11O9S2	803.3782	NA	PeJP	NA	NA
+PJ039308	GPVNMMR 	C32H57N11O9S2	803.3783	NA	PeJP	NA	NA
+PJ039309	GSPNHHR 	C32H49N15O10	803.3787	NA	PeJP	NA	NA
+PJ039310	GPKMWW 	C40H53N9O7S	803.3789	NA	PeJP	NA	NA
+PJ039311	VNKEEW 	C36H53N9O12	803.3814	NA	PeJP	NA	NA
+PJ039312	NNNMRR 	C29H53N15O10S	803.3821	NA	PeJP	NA	NA
+PJ039313	VQHHHF 	C37H49N13O8	803.3827	NA	PeJP	NA	NA
+PJ039314	GGLHHHF 	C37H49N13O8	803.3828	NA	PeJP	NA	NA
+PJ039315	TTTTLMH 	C33H57N9O12S	803.3848	NA	PeJP	NA	NA
+PJ039316	PPLEYW 	C41H53N7O10	803.3854	NA	PeJP	NA	NA
+PJ039317	SPCRRW 	C34H53N13O8S	803.3861	NA	PeJP	NA	NA
+PJ039318	ARWWW 	C42H49N11O6	803.3868	NA	PeJP	NA	NA
+PJ039319	SQEERR 	C30H53N13O13	803.3886	NA	PeJP	NA	NA
+PJ039320	SLKMYY 	C38H57N7O10S	803.3888	NA	PeJP	NA	NA
+PJ039321	PNMMRR 	C31H57N13O8S2	803.3895	NA	PeJP	NA	NA
+PJ039322	ATLLEEE 	C34H57N7O15	803.3913	NA	PeJP	NA	NA
+PJ039323	APLLEMM 	C35H61N7O10S2	803.3922	NA	PeJP	NA	NA
+PJ039324	GKEERW 	C35H53N11O11	803.3926	NA	PeJP	NA	NA
+PJ039325	GGGGDKKW 	C35H53N11O11	803.3927	NA	PeJP	NA	NA
+PJ039326	AHHHFR 	C36H49N15O7	803.394	NA	PeJP	NA	NA
+PJ039327	GSPKEMR 	C32H57N11O11S	803.396	NA	PeJP	NA	NA
+PJ039328	SPTKWW 	C40H53N9O9	803.3966	NA	PeJP	NA	NA
+PJ039329	GVKEWW 	C40H53N9O9	803.3967	NA	PeJP	NA	NA
+PJ039330	GSSNQRR 	C29H53N15O12	803.3998	NA	PeJP	NA	NA
+PJ039331	SDDRRR 	C29H53N15O12	803.3999	NA	PeJP	NA	NA
+PJ039332	PDKKMW 	C37H57N9O9S	803.4	NA	PeJP	NA	NA
+PJ039333	AAKKEEE 	C33H57N9O14	803.4025	NA	PeJP	NA	NA
+PJ039334	GPLQKMM 	C34H61N9O9S2	803.4034	NA	PeJP	NA	NA
+PJ039335	GTERRW 	C34H53N13O10	803.4039	NA	PeJP	NA	NA
+PJ039336	CLKFFF 	C42H57N7O7S	803.4041	NA	PeJP	NA	NA
+PJ039337	SPPVLEY 	C38H57N7O12	803.4065	NA	PeJP	NA	NA
+PJ039338	GPLLEEF 	C38H57N7O12	803.4066	NA	PeJP	NA	NA
+PJ039339	VNEMRR 	C31H57N13O10S	803.4072	NA	PeJP	NA	NA
+PJ039340	GGVEMRR 	C31H57N13O10S	803.4073	NA	PeJP	NA	NA
+PJ039341	KERWW 	C39H53N11O8	803.4079	NA	PeJP	NA	NA
+3691	NA	VTKFYF	803.408	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ039342	GLLLEEM 	C35H61N7O12S	803.4099	NA	PeJP	NA	NA
+PJ039343	SPKMRW 	C36H57N11O8S	803.4113	NA	PeJP	NA	NA
+PJ039344	VKWWW 	C44H53N9O6	803.4119	NA	PeJP	NA	NA
+PJ039345	PTTTTQR 	C32H57N11O13	803.4137	NA	PeJP	NA	NA
+PJ039346	DKKEER 	C32H57N11O13	803.4138	NA	PeJP	NA	NA
+PJ039347	AAPKMMR 	C33H61N11O8S2	803.4146	NA	PeJP	NA	NA
+PJ039348	VQQHHR 	C33H53N15O9	803.4151	NA	PeJP	NA	NA
+PJ039349	VDKKEW 	C37H57N9O11	803.4178	NA	PeJP	NA	NA
+PJ039350	GEMRRR 	C30H57N15O9S	803.4185	NA	PeJP	NA	NA
+PJ039351	TRRWW 	C38H53N13O7	803.4191	NA	PeJP	NA	NA
+PJ039352	SPTLQKM 	C34H61N9O11S	803.4211	NA	PeJP	NA	NA
+PJ039353	APTKKEM 	C34H61N9O11S	803.4212	NA	PeJP	NA	NA
+MJ094932	Heptamycin B 	C42H57N7O9	803.421776	NA	MeJP	NA	NA
+PJ039354	PLLEFW 	C42H57N7O9	803.4218	NA	PeJP	NA	NA
+PJ039355	GVMRRW 	C35H57N13O7S	803.4225	NA	PeJP	NA	NA
+PJ039356	SKEERR 	C31H57N13O12	803.425	NA	PeJP	NA	NA
+8264	f(162-169) of bovine kappa casein	VQVTSTAV	803.425	NA  ;SYN:3,3',5-Triiodo-L-thyronine; 3,3',5-Triiodothyronine; 3,5,3'-Triiodothyronine; 3,3',5'-triiodothyronine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; Cyronine; L-3,3',5-Triiodothyronine; L-3,3',5-triiodo-Thyronine; L-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-Alanine; L-Liothyronine; L-T3; L-Triiodothyronine; Liothyronin; Liothyronine; O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-Tyrosine; T3; Tresitope; Triiodo-L-thyronine; Triiodothyronine; 3,3',5'-triiodo-L-thyronineH2Blood; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ039357	LLLEMW 	C39H61N7O9S	803.4252	NA	PeJP	NA	NA
+PJ039358	AQHHRR 	C32H53N17O8	803.4263	NA	PeJP	NA	NA
+PJ039359	GAAHHRR 	C32H53N17O8	803.4264	NA	PeJP	NA	NA
+PJ039360	STLLLEE 	C35H61N7O14	803.4277	NA	PeJP	NA	NA
+PJ039361	SPLLLMM 	C36H65N7O9S2	803.4285	NA	PeJP	NA	NA
+PJ039362	PVTLLMM 	C36H65N7O9S2	803.4286	NA	PeJP	NA	NA
+PJ039363	SVKERW 	C36H57N11O10	803.429	NA	PeJP	NA	NA
+PJ039364	LQKEMR 	C33H61N11O10S	803.4324	NA	PeJP	NA	NA
+PJ039365	ATLKWW 	C41H57N9O8	803.433	NA	PeJP	NA	NA
+PJ039366	GALLHFF 	C41H57N9O8	803.4331	NA	PeJP	NA	NA
+PJ039367	MRRRW 	C34H57N15O6S	803.4337	NA	PeJP	NA	NA
+PJ039368	STERRR 	C30H57N15O11	803.4362	NA	PeJP	NA	NA
+PJ039369	VLQKMW 	C38H61N9O8S	803.4364	NA	PeJP	NA	NA
+PJ039370	GTLKKEE 	C34H61N9O13	803.4389	NA	PeJP	NA	NA
+PJ039371	GPLKKMM 	C35H65N9O8S2	803.4398	NA	PeJP	NA	NA
+PJ039372	SSLRRW 	C35H57N13O9	803.4403	NA	PeJP	NA	NA
+PJ039373	GPLLLEY 	C39H61N7O11	803.4429	NA	PeJP	NA	NA
+PJ039374	VDKMRR 	C32H61N13O9S	803.4436	NA	PeJP	NA	NA
+PJ039375	APKFRW 	C40H57N11O7	803.4443	NA	PeJP	NA	NA
+PJ039376	SVLLLEM 	C36H65N7O11S	803.4463	NA	PeJP	NA	NA
+PJ039377	ALKMRW 	C37H61N11O7S	803.4476	NA	PeJP	NA	NA
+PJ039378	VCLKRW 	C37H61N11O7S	803.4477	NA	PeJP	NA	NA
+PJ039379	GTTLKER 	C33H61N11O12	803.4501	NA	PeJP	NA	NA
+PJ039380	GGSTTLLR 	C33H61N11O12	803.4502	NA	PeJP	NA	NA
+PJ039381	GPRRRY 	C34H57N15O8	803.4515	NA	PeJP	NA	NA
+PJ039382	TLKKEW 	C38H61N9O10	803.4542	NA	PeJP	NA	NA
+PJ039383	SVMRRR 	C31H61N15O8S	803.4549	NA	PeJP	NA	NA
+PJ039384	GVLKKEM 	C35H65N9O10S	803.4575	NA	PeJP	NA	NA
+PJ039385	AVVKKEM 	C35H65N9O10S	803.4576	NA	PeJP	NA	NA
+PJ039386	PLLLYW 	C43H61N7O8	803.4582	NA	PeJP	NA	NA
+PJ039387	GTTTLRR 	C32H61N13O11	803.4614	NA	PeJP	NA	NA
+PJ039388	APLLLMF 	C40H65N7O8S	803.4616	NA	PeJP	NA	NA
+PJ039389	AKHHRR 	C33H57N17O7	803.4627	NA	PeJP	NA	NA
+PJ039390	ALLLLMM 	C37H69N7O8S2	803.4649	NA	PeJP	NA	NA
+PJ039391	TTLKRW 	C37H61N11O9	803.4654	NA	PeJP	NA	NA
+PJ039392	LKKEMR 	C34H65N11O9S	803.4688	NA	PeJP	NA	NA
+PJ039393	PVKKFW 	C42H61N9O7	803.4694	NA	PeJP	NA	NA
+PJ039394	VLKKMW 	C39H65N9O7S	803.4728	NA	PeJP	NA	NA
+PJ039395	SSLLKKE 	C35H65N9O12	803.4753	NA	PeJP	NA	NA
+PJ039396	PTKFRR 	C36H61N13O8	803.4766	NA	PeJP	NA	NA
+PJ039397	GGVLFRR 	C36H61N13O8	803.4767	NA	PeJP	NA	NA
+PJ039398	SPVLLLY 	C40H65N7O10	803.4793	NA	PeJP	NA	NA
+PJ039399	TLKMRR 	C33H65N13O8S	803.48	NA	PeJP	NA	NA
+MJ094933	Antibiotic FK 506 isomer 	C44H69NO12	803.481976	NA	MeJP	NA	NA
+MJ094934	Fujimycin 	C44H69NO12	803.481976	NA	MeJP	NA	NA
+MJ094935	Monensin; Monensin B, 26-O-[(2-Phenylethyl)carbamoyl] 	C44H69NO12	803.481976	NA	MeJP	NA	NA
+C01375	Tacrolimus	C44H69NO12	803.482	NA	KEGG	NA	NA
+PJ039400	TTLLLLM 	C37H69N7O10S	803.4827	NA	PeJP	NA	NA
+PJ039401	SSTLLKR 	C34H65N11O11	803.4865	NA	PeJP	NA	NA
+PJ039402	GLFRRR 	C35H61N15O7	803.4879	NA	PeJP	NA	NA
+PJ039403	GPVLKKY 	C39H65N9O9	803.4906	NA	PeJP	NA	NA
+PJ039404	ATLLKKM 	C36H69N9O9S	803.4939	NA	PeJP	NA	NA
+PJ039405	LLLLFW 	C44H65N7O7	803.4946	NA	PeJP	NA	NA
+PJ039406	GSTKKKR 	C33H65N13O10	803.4978	NA	PeJP	NA	NA
+PJ039407	SKKKKW 	C38H65N11O8	803.5018	NA	PeJP	NA	NA
+PJ039408	AAKKKKM 	C35H69N11O8S	803.5052	NA	PeJP	NA	NA
+PJ039409	TTTLLKK 	C36H69N9O11	803.5117	NA	PeJP	NA	NA
+PJ039410	VVKFRR 	C37H65N13O7	803.513	NA	PeJP	NA	NA
+PJ039411	GLLLLLY 	C41H69N7O9	803.5157	NA	PeJP	NA	NA
+PJ039412	ATTKKKK 	C35H69N11O10	803.5229	NA	PeJP	NA	NA
+PJ039413	GVLLKKF 	C40H69N9O8	803.5269	NA	PeJP	NA	NA
+PJ039414	LLKKFR 	C39H69N11O7	803.5382	NA	PeJP	NA	NA
+EUR690	PC(36:4) [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR975	PC 36:4 [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR690	PC(36:4) [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR975	PC 36:4 [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR690	PC(36:4) [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR975	PC 36:4 [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR690	PC(36:4) [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	Inhousejuil11	NA	NA
+EUR975	PC 36:4 [M+Na]+	C44H80NO8P	803.544103	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1009	PC 38:7 monoisotopic mass 	C46H78NO8P	803.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1009	PC 38:7 monoisotopic mass 	C46H78NO8P	803.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1009	PC 38:7 monoisotopic mass 	C46H78NO8P	803.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1009	PC 38:7 monoisotopic mass 	C46H78NO8P	803.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08023	PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08149	PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08180	PC(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08181	PC(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08213	PC(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08214	PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08244	PC(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08245	PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08372	PC(20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08405	PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08435	PC(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08436	PC(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08468	PC(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08469	PC(20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08500	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+HMDB08726	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	C46H78NO8P	803.546509	NA	HMDB2010	NA	NA
+EUR697	PC(34:2) [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR947	PC 34:2 [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR697	PC(34:2) [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR947	PC 34:2 [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR697	PC(34:2) [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR947	PC 34:2 [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR697	PC(34:2) [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	Inhousejuil11	NA	NA
+EUR947	PC 34:2 [M+FA-H]-	C42H80NO8P	803.567037	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB05337	GPEtn(20:0/20:0)[U]	C45H90NO8P	803.64038	http://www.hmdb.ca/metabolites/HMDB05337	HMDB	NA	NA
+HMDB05337	GPEtn(20:0/20:0)[U]	C45H90NO8P	803.64038	HMDB05337	PFEM_hmdb_metabocards_official	NA	NA
+HMDB07953	PC(15:0/22:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+HMDB08527	PC(22:0/15:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+HMDB08947	PE(16:0/24:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+HMDB09006	PE(18:0/22:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+HMDB09229	PE(20:0/20:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+HMDB09486	PE(22:0/18:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+HMDB09715	PE(24:0/16:0)	C45H90NO8P	803.640381	NA	HMDB2010	NA	NA
+MJ094936	2-Amino-15-methyl-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-galactopyranoside 	C45H89NO10	803.648648	NA	MeJP	NA	NA
+MJ094937	2-Amino-15-methyl-1,3,4-hexadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside 	C45H89NO10	803.648648	NA	MeJP	NA	NA
+HMDB13408	PC(o-16:0/22:0)	C46H94NO7P	803.676819	NA	HMDB2010	NA	NA
+HMDB13419	PC(o-18:0/20:0)	C46H94NO7P	803.676819	NA	HMDB2010	NA	NA
+MJ094938	Solasulfone 	C30H32N2O14S5	804.045707	NA	MeJP	NA	NA
+MJ094939	Leptosin A 	C32H32N6O7S6	804.065671	NA	MeJP	NA	NA
+MJ094940	Leptosin G1 	C32H32N6O7S6	804.065671	NA	MeJP	NA	NA
+MJ094941	Leptosin H 	C32H32N6O7S6	804.065671	NA	MeJP	NA	NA
+PJ039415	GSCCCCDD 	C25H40N8O14S4	804.1547	NA	PeJP	NA	NA
+PJ039416	APCCCCCC 	C26H44N8O9S6	804.1556	NA	PeJP	NA	NA
+PJ039417	CCCCNEM 	C26H44N8O11S5	804.1733	NA	PeJP	NA	NA
+PJ039418	GGCCCCEM 	C26H44N8O11S5	804.1734	NA	PeJP	NA	NA
+PJ039419	CCCCCDR 	C25H44N10O10S5	804.1846	NA	PeJP	NA	NA
+PJ039420	GCCCCMW 	C30H44N8O8S5	804.1886	NA	PeJP	NA	NA
+PJ039421	GSSCCCDM 	C26H44N8O13S4	804.1911	NA	PeJP	NA	NA
+FL5FFCGL0003	Gossypetin 3-sophoroside-8-glucoside	C33H40O23	804.19603	77306-93-5	knapsack	NA	NA
+MJ094942	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] 	C33H40O23	804.196037	NA	MeJP	NA	NA
+MJ094943	3,3',4',5,6,7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O23	804.196037	NA	MeJP	NA	NA
+MJ094944	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl)-(1?2)-?-D-glucopyranoside], 8-O-?-D-glucopyranoside 	C33H40O23	804.196037	NA	MeJP	NA	NA
+MJ094945	3,3',4',5,7,8-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C33H40O23	804.196037	NA	MeJP	NA	NA
+PJ039422	STCCCCW 	C30H44N8O10S4	804.2063	NA	PeJP	NA	NA
+PJ039423	GGPCCCCY 	C30H44N8O10S4	804.2064	NA	PeJP	NA	NA
+PJ039424	SSSSCCCE 	C26H44N8O15S3	804.2089	NA	PeJP	NA	NA
+PJ039425	SCCCQMM 	C27H48N8O10S5	804.2097	NA	PeJP	NA	NA
+PJ039426	SCCCCMR 	C26H48N10O9S5	804.221	NA	PeJP	NA	NA
+PJ039427	GCCNDMY 	C30H44N8O12S3	804.2241	NA	PeJP	NA	NA
+PJ039428	GSSSCCMM 	C27H48N8O12S4	804.2275	NA	PeJP	NA	NA
+MJ094946	10-Dehydrogardenoside dimer 	C34H44O22	804.232423	NA	MeJP	NA	NA
+PJ039429	SCNDDDH 	C28H40N10O16S	804.2345	NA	PeJP	NA	NA
+PJ039430	PCCCNEH 	C29H44N10O11S3	804.2353	NA	PeJP	NA	NA
+PJ039431	GGPCCCEH 	C29H44N10O11S3	804.2354	NA	PeJP	NA	NA
+PJ039432	CCCQYW 	C34H44N8O9S3	804.2394	NA	PeJP	NA	NA
+PJ039433	PNDDDDD 	C29H40N8O19	804.241	NA	PeJP	NA	NA
+PJ039434	SSCCNEY 	C30H44N8O14S2	804.2419	NA	PeJP	NA	NA
+PJ039435	GCCNMMF 	C31H48N8O9S4	804.2427	NA	PeJP	NA	NA
+PJ039436	GGGCCMMF 	C31H48N8O9S4	804.2428	NA	PeJP	NA	NA
+PJ039437	DDDDYY 	C34H40N6O17	804.245	NA	PeJP	NA	NA
+PJ039438	SSSSTCCM 	C27H48N8O14S3	804.2452	NA	PeJP	NA	NA
+PJ039439	SCCCKMM 	C28H52N8O9S5	804.2461	NA	PeJP	NA	NA
+PJ039440	DDMMMY 	C32H48N6O12S3	804.2493	NA	PeJP	NA	NA
+PJ039441	GPCCCHW 	C33H44N10O8S3	804.2506	NA	PeJP	NA	NA
+MJ094947	Isochelocardin 	C44H40N2O13	804.253039	NA	MeJP	NA	NA
+PJ039442	GCNDEMH 	C29H44N10O13S2	804.2531	NA	PeJP	NA	NA
+PJ039443	MMMMMM 	C30H56N6O7S6	804.2535	NA	PeJP	NA	NA
+PJ039444	ACCCCFR 	C30H48N10O8S4	804.254	NA	PeJP	NA	NA
+PJ039445	GSSCCYW 	C34H44N8O11S2	804.2571	NA	PeJP	NA	NA
+MJ094948	5,10-Methylenetetrahydromethanopterin 	C31H45N6O17P	804.25788	NA	MeJP	NA	NA
+C01274	5-Formyl-5,6,7,8-tetrahydromethanopterin	C31H45N6O17P	804.2579	NA	KEGG	NA	NA
+PJ039446	GSSSSCDY 	C30H44N8O16S	804.2596	NA	PeJP	NA	NA
+PJ039447	GSCNMMY 	C31H48N8O11S3	804.2605	NA	PeJP	NA	NA
+PJ039448	DDDMFY 	C35H44N6O14S	804.2637	NA	PeJP	NA	NA
+PJ039449	GCCDDHR 	C28H44N12O12S2	804.2643	NA	PeJP	NA	NA
+PJ039450	GGGGTCCNH 	C28H44N12O12S2	804.2644	NA	PeJP	NA	NA
+PJ039451	DMMMMF 	C33H52N6O9S4	804.2679	NA	PeJP	NA	NA
+PJ039452	CNDMHW 	C33H44N10O10S2	804.2684	NA	PeJP	NA	NA
+PJ039453	SSNDDMH 	C29H44N10O15S	804.2709	NA	PeJP	NA	NA
+PJ039454	GTCCCRY 	C30H48N10O10S3	804.2717	NA	PeJP	NA	NA
+PJ039455	CNNEYY 	C34H44N8O13S	804.2749	NA	PeJP	NA	NA
+PJ039456	CCCKYW 	C35H48N8O8S3	804.2758	NA	PeJP	NA	NA
+PJ039457	SPNDDEE 	C30H44N8O18	804.2774	NA	PeJP	NA	NA
+PJ039458	SSSCQMY 	C31H48N8O13S2	804.2782	NA	PeJP	NA	NA
+PJ039459	GGSSTCMY 	C31H48N8O13S2	804.2783	NA	PeJP	NA	NA
+PJ039460	ACCCKMF 	C32H52N8O8S4	804.2791	NA	PeJP	NA	NA
+PJ039461	SDEEYY 	C35H44N6O16	804.2814	NA	PeJP	NA	NA
+PJ039462	GSSSCNNH 	C28H44N12O14S	804.2821	NA	PeJP	NA	NA
+PJ039463	PCEMYY 	C36H48N6O11S2	804.2823	NA	PeJP	NA	NA
+PJ039464	SPCCCHR 	C29H48N12O9S3	804.283	NA	PeJP	NA	NA
+PJ039465	ACCHWW 	C37H44N10O7S2	804.2836	NA	PeJP	NA	NA
+PJ039466	TEMMMY 	C33H52N6O11S3	804.2856	NA	PeJP	NA	NA
+PJ039467	GSSCEHW 	C33H44N10O12S	804.2861	NA	PeJP	NA	NA
+PJ039468	CMMHHF 	C34H48N10O7S3	804.287	NA	PeJP	NA	NA
+PJ039469	GSSSSDEH 	C29H44N10O17	804.2886	NA	PeJP	NA	NA
+PJ039470	GGGGGGGEEE 	C29H44N10O17	804.2887	NA	PeJP	NA	NA
+PJ039471	SSSCCRY 	C30H48N10O12S2	804.2895	NA	PeJP	NA	NA
+PJ039472	GCNYYW 	C38H44N8O10S	804.2901	NA	PeJP	NA	NA
+PJ039473	GSPDDEW 	C34H44N8O15	804.2926	NA	PeJP	NA	NA
+PJ039474	GPTDDDW 	C34H44N8O15	804.2927	NA	PeJP	NA	NA
+MJ094949	Auriside A 	C37H57BrO14	804.293169	NA	MeJP	NA	NA
+MJ094950	Disain 	C50H44O10	804.293447	NA	MeJP	NA	NA
+PJ039475	GPPCDMW 	C35H48N8O10S2	804.2935	NA	PeJP	NA	NA
+PJ039476	GSSSSSMY 	C31H48N8O15S	804.296	NA	PeJP	NA	NA
+PJ039477	DDDFFF 	C39H44N6O13	804.2967	NA	PeJP	NA	NA
+PJ039478	GTCCKMY 	C32H52N8O10S3	804.2969	NA	PeJP	NA	NA
+PJ039479	GCNNNHF 	C32H44N12O11S	804.2974	NA	PeJP	NA	NA
+PJ039480	SNNNNNE 	C28H44N12O16	804.2998	NA	PeJP	NA	NA
+PJ039481	GNNDDDR 	C28H44N12O16	804.2999	NA	PeJP	NA	NA
+PJ039482	AEEMYY 	C36H48N6O13S	804.3	NA	PeJP	NA	NA
+PJ039483	GSCDMHR 	C29H48N12O11S2	804.3007	NA	PeJP	NA	NA
+PJ039484	SSCHWW 	C37H44N10O9S	804.3014	NA	PeJP	NA	NA
+PJ039485	SSSSDHW 	C33H44N10O14	804.3039	NA	PeJP	NA	NA
+PJ039486	VMMMMY 	C34H56N6O8S4	804.3043	NA	PeJP	NA	NA
+PJ039487	SNMMHW 	C34H48N10O9S2	804.3047	NA	PeJP	NA	NA
+PJ039488	GGSMMHW 	C34H48N10O9S2	804.3048	NA	PeJP	NA	NA
+PJ039489	SSSQEMH 	C30H48N10O14S	804.3072	NA	PeJP	NA	NA
+PJ039490	GPDDDMR 	C30H48N10O14S	804.3073	NA	PeJP	NA	NA
+PJ039491	SPDDWW 	C38H44N8O12	804.3079	NA	PeJP	NA	NA
+PJ039492	QQMMMH 	C31H52N10O9S3	804.3081	NA	PeJP	NA	NA
+PJ039493	GSCQHHH 	C31H44N14O10S	804.3086	NA	PeJP	NA	NA
+MJ094951	Cyclomyrsinol; 5,14-Bis(3-pyridinecarbonyl), 8-(2-methylpropanoyl), 3,10,15-tri-Ac 	C42H48N2O14	804.310554	NA	MeJP	NA	NA
+MJ094952	Phallisin 	C35H48N8O12S	804.311239	NA	MeJP	NA	NA
+PJ039494	PNEEMW 	C35H48N8O12S	804.3113	NA	PeJP	NA	NA
+MJ094953	Aeruginosin 205A 	C34H53ClN6O12S	804.313069	NA	MeJP	NA	NA
+PJ039495	SSSSSSTY 	C31H48N8O17	804.3137	NA	PeJP	NA	NA
+PJ039496	AAQEEEE 	C31H48N8O17	804.3138	NA	PeJP	NA	NA
+PJ039497	SSSCKMY 	C32H52N8O12S2	804.3146	NA	PeJP	NA	NA
+PJ039498	GGSPPEMM 	C32H52N8O12S2	804.3147	NA	PeJP	NA	NA
+PJ039499	GSNNNNW 	C32H44N12O13	804.3151	NA	PeJP	NA	NA
+PJ039500	PPCYYY 	C40H48N6O10S	804.3153	NA	PeJP	NA	NA
+PJ039501	TCCHRW 	C33H48N12O8S2	804.316	NA	PeJP	NA	NA
+PJ039502	TTEEYY 	C36H48N6O15	804.3178	NA	PeJP	NA	NA
+PJ039503	SSSCEHR 	C29H48N12O13S	804.3185	NA	PeJP	NA	NA
+PJ039504	PTMMYY 	C37H52N6O10S2	804.3187	NA	PeJP	NA	NA
+PJ039505	GNNEWW 	C37H44N10O11	804.3191	NA	PeJP	NA	NA
+PJ039506	GGGGGEWW 	C37H44N10O11	804.3192	NA	PeJP	NA	NA
+PJ039507	CQMMHR 	C30H52N12O8S3	804.3194	NA	PeJP	NA	NA
+MJ094954	Phyllanthocic acid; [3-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester 	C40H52O17	804.32045	NA	MeJP	NA	NA
+MJ094955	Phyllanthocic acid; [3-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-4-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester 	C40H52O17	804.32045	NA	MeJP	NA	NA
+MJ094956	Phyllanthocic acid; [4-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester 	C40H52O17	804.32045	NA	MeJP	NA	NA
+MJ094957	Phyllanthocic acid; [4-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-4-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester 	C40H52O17	804.32045	NA	MeJP	NA	NA
+PJ039508	PCDERW 	C34H48N10O11S	804.3225	NA	PeJP	NA	NA
+PJ039509	NEEEER 	C30H48N10O16	804.325	NA	PeJP	NA	NA
+PJ039510	SPPCDMR 	C31H52N10O11S2	804.3259	NA	PeJP	NA	NA
+PJ039511	SSSNHHH 	C31H44N14O12	804.3263	NA	PeJP	NA	NA
+PJ039512	GGSSSHHH 	C31H44N14O12	804.3264	NA	PeJP	NA	NA
+PJ039513	GPEMWW 	C39H48N8O9S	804.3265	NA	PeJP	NA	NA
+PJ039514	VNEEEW 	C35H48N8O14	804.329	NA	PeJP	NA	NA
+PJ039515	GCNNNQR 	C28H48N14O12S	804.3297	NA	PeJP	NA	NA
+PJ039516	GGGGGGGGACR 	C28H48N14O12S	804.3298	NA	PeJP	NA	NA
+PJ039517	GSPPMMW 	C36H52N8O9S2	804.3299	NA	PeJP	NA	NA
+PJ039518	PNDHHW 	C36H44N12O10	804.3304	NA	PeJP	NA	NA
+PJ039519	CCMHRR 	C29H52N14O7S3	804.3306	NA	PeJP	NA	NA
+PJ039520	GPDKEEM 	C32H52N8O14S	804.3324	NA	PeJP	NA	NA
+PJ039521	APEYYY 	C40H48N6O12	804.333	NA	PeJP	NA	NA
+PJ039522	AEEFFY 	C40H48N6O12	804.3331	NA	PeJP	NA	NA
+PJ039523	APPQMMM 	C33H56N8O9S3	804.3333	NA	PeJP	NA	NA
+PJ039524	CNEHFR 	C33H48N12O10S	804.3337	NA	PeJP	NA	NA
+PJ039525	GGCEHFR 	C33H48N12O10S	804.3338	NA	PeJP	NA	NA
+PJ039526	NNWWW 	C41H44N10O8	804.3344	NA	PeJP	NA	NA
+PJ039527	GSNNEER 	C29H48N12O15	804.3362	NA	PeJP	NA	NA
+PJ039528	DDDERR 	C29H48N12O15	804.3363	NA	PeJP	NA	NA
+PJ039529	SLEMYY 	C37H52N6O12S	804.3364	NA	PeJP	NA	NA
+PJ039530	GSSMMHR 	C30H52N12O10S2	804.3371	NA	PeJP	NA	NA
+PJ039531	VMMMFF 	C38H56N6O7S3	804.3373	NA	PeJP	NA	NA
+PJ039532	GQMHFW 	C38H48N10O8S	804.3378	NA	PeJP	NA	NA
+PJ039533	SSSPQHY 	C34H48N10O13	804.3402	NA	PeJP	NA	NA
+PJ039534	GEEERW 	C34H48N10O13	804.3403	NA	PeJP	NA	NA
+PJ039535	TCKMHW 	C35H52N10O8S2	804.3411	NA	PeJP	NA	NA
+PJ039536	NNHHHF 	C35H44N14O9	804.3416	NA	PeJP	NA	NA
+PJ039537	PMWWW 	C43H48N8O6S	804.3418	NA	PeJP	NA	NA
+PJ039538	GSPEEMR 	C31H52N10O13S	804.3436	NA	PeJP	NA	NA
+PJ039539	GGGGGGALEM 	C31H52N10O13S	804.3437	NA	PeJP	NA	NA
+PJ039540	GVEEWW 	C39H48N8O11	804.3443	NA	PeJP	NA	NA
+PJ039541	APPCMMR 	C32H56N10O8S3	804.3445	NA	PeJP	NA	NA
+PJ039542	GSCKHHH 	C32H48N14O9S	804.345	NA	PeJP	NA	NA
+PJ039543	SSNNNNR 	C28H48N14O14	804.3475	NA	PeJP	NA	NA
+PJ039544	SSPPTMW 	C36H52N8O11S	804.3476	NA	PeJP	NA	NA
+PJ039545	PDKEMW 	C36H52N8O11S	804.3477	NA	PeJP	NA	NA
+PJ039546	GPCCNRR 	C29H52N14O9S2	804.3484	NA	PeJP	NA	NA
+PJ039547	GCHFRW 	C37H48N12O7S	804.349	NA	PeJP	NA	NA
+PJ039548	PTTTQEE 	C32H52N8O16	804.3501	NA	PeJP	NA	NA
+PJ039549	AAKEEEE 	C32H52N8O16	804.3502	NA	PeJP	NA	NA
+PJ039550	GPLQEMM 	C33H56N8O11S2	804.351	NA	PeJP	NA	NA
+PJ039551	SNNERW 	C33H48N12O12	804.3515	NA	PeJP	NA	NA
+PJ039552	PCLFYY 	C41H52N6O9S	804.3517	NA	PeJP	NA	NA
+PJ039553	LMMHHH 	C34H52N12O7S2	804.3524	NA	PeJP	NA	NA
+PJ039554	THHHHH 	C34H44N16O8	804.3528	NA	PeJP	NA	NA
+MJ094958	Antibiotic A 201E 	C37H52N6O14	804.35415	NA	MeJP	NA	NA
+PJ039555	SSSTMHR 	C30H52N12O12S	804.3549	NA	PeJP	NA	NA
+PJ039556	VVMMYY 	C38H56N6O9S2	804.355	NA	PeJP	NA	NA
+PJ039557	EERWW 	C38H48N10O10	804.3555	NA	PeJP	NA	NA
+PJ039558	CKMMHR 	C31H56N12O7S3	804.3557	NA	PeJP	NA	NA
+MJ094959	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-?-D-Glucopyranoside, 19-O-[3,4-dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl] ester 	C41H56O16	804.356835	NA	MeJP	NA	NA
+MJ094960	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranoside], ?-D-glucopyranosyl ester 	C41H56O16	804.356835	NA	MeJP	NA	NA
+MJ094961	Hispidin A 	C41H56O16	804.356835	NA	MeJP	NA	NA
+PJ039559	SPEMRW 	C35H52N10O10S	804.3589	NA	PeJP	NA	NA
+PJ039560	VEWWW 	C43H48N8O8	804.3595	NA	PeJP	NA	NA
+MJ094962	22,23-Epoxycholest-9(11)-ene-3,6-diol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 6-sulfate 	C38H60O16S	804.360206	NA	MeJP	NA	NA
+PJ039561	DKEEER 	C31H52N10O15	804.3614	NA	PeJP	NA	NA
+PJ039562	AAPEMMR 	C32H56N10O10S2	804.3623	NA	PeJP	NA	NA
+PJ039563	GSPDHHR 	C32H48N14O11	804.3627	NA	PeJP	NA	NA
+PJ039564	GGGGGVQHH 	C32H48N14O11	804.3628	NA	PeJP	NA	NA
+PJ039565	SPVMWW 	C40H52N8O8S	804.3629	NA	PeJP	NA	NA
+PJ039566	VDKEEW 	C36H52N8O13	804.3654	NA	PeJP	NA	NA
+PJ039567	NNDMRR 	C29H52N14O11S	804.3661	NA	PeJP	NA	NA
+PJ039568	PLQMMW 	C37H56N8O8S2	804.3663	NA	PeJP	NA	NA
+PJ039569	GSNRWW 	C37H48N12O9	804.3668	NA	PeJP	NA	NA
+PJ039570	APTKEEM 	C33H56N8O13S	804.3688	NA	PeJP	NA	NA
+PJ039571	SPLYYY 	C41H52N6O11	804.3694	NA	PeJP	NA	NA
+PJ039572	APPKMMM 	C34H60N8O8S3	804.3697	NA	PeJP	NA	NA
+PJ039573	GQQMRW 	C34H52N12O9S	804.3701	NA	PeJP	NA	NA
+PJ039574	AHHFFF 	C42H48N10O7	804.3708	NA	PeJP	NA	NA
+PJ039575	SEEERR 	C30H52N12O14	804.3726	NA	PeJP	NA	NA
+PJ039576	GGGGGGGGTTK 	C30H52N12O14	804.3727	NA	PeJP	NA	NA
+PJ039577	PDMMRR 	C31H56N12O9S2	804.3735	NA	PeJP	NA	NA
+PJ039578	NNQHHR 	C31H48N16O10	804.374	NA	PeJP	NA	NA
+PJ039579	PPCFRW 	C39H52N10O7S	804.3742	NA	PeJP	NA	NA
+PJ039580	SVEERW 	C35H52N10O12	804.3766	NA	PeJP	NA	NA
+PJ039581	TLDDRW 	C35H52N10O12	804.3767	NA	PeJP	NA	NA
+PJ039582	PCLMRW 	C36H56N10O7S2	804.3775	NA	PeJP	NA	NA
+MJ094963	11,16-Epoxy-19-kauranoic acid, 19-[?-D-Glucopyranosyl-(1?2)[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranosyl] ester 	C38H60O18	804.377965	NA	MeJP	NA	NA
+MJ094964	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glycopyranoside], ?-D-glucopyranosyl ester 	C38H60O18	804.377965	NA	MeJP	NA	NA
+MJ094965	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C38H60O18	804.377965	NA	MeJP	NA	NA
+MJ094966	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glycopyranoside], ?-D-glucopyranosyl ester 	C38H60O18	804.377965	NA	MeJP	NA	NA
+C09189	Stevioside	C38H60O18	804.378	NA	KEGG	NA	NA
+PJ039583	LQEEMR 	C32H56N10O12S	804.38	NA	PeJP	NA	NA
+PJ039584	ATLEWW 	C40H52N8O10	804.3807	NA	PeJP	NA	NA
+PJ039585	KKMMMH 	C33H60N10O7S3	804.3809	NA	PeJP	NA	NA
+PJ039586	GCQRRW 	C33H52N14O8S	804.3814	NA	PeJP	NA	NA
+PJ039587	GSSNERR 	C29H52N14O13	804.3839	NA	PeJP	NA	NA
+PJ039588	VLQEMW 	C37H56N8O10S	804.384	NA	PeJP	NA	NA
+PJ039589	GGLLEMW 	C37H56N8O10S	804.3841	NA	PeJP	NA	NA
+PJ039590	PTFFFF 	C45H52N6O8	804.3847	NA	PeJP	NA	NA
+PJ039591	GTLKEEE 	C33H56N8O15	804.3865	NA	PeJP	NA	NA
+PJ039592	GGSTLLEE 	C33H56N8O15	804.3866	NA	PeJP	NA	NA
+PJ039593	GPLKEMM 	C34H60N8O10S2	804.3874	NA	PeJP	NA	NA
+PJ039594	SNDKRW 	C34H52N12O11	804.3879	NA	PeJP	NA	NA
+PJ039595	VVMFFY 	C42H56N6O8S	804.3881	NA	PeJP	NA	NA
+PJ039596	NQKEMR 	C31H56N12O11S	804.3912	NA	PeJP	NA	NA
+PJ039597	VDEMRR 	C31H56N12O11S	804.3913	NA	PeJP	NA	NA
+PJ039598	GTQKWW 	C39H52N10O9	804.3919	NA	PeJP	NA	NA
+PJ039599	PCHHRR 	C32H52N16O7S	804.3926	NA	PeJP	NA	NA
+PJ039600	ALEMRW 	C36H56N10O9S	804.3953	NA	PeJP	NA	NA
+PJ039601	GPLFWW 	C44H52N8O7	804.3959	NA	PeJP	NA	NA
+MJ094967	Cholesta-8,24-diene-3,6-diol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 6-sulfate 	C39H64O15S	804.396592	NA	MeJP	NA	NA
+PJ039602	GTTLEER 	C32H56N10O14	804.3978	NA	PeJP	NA	NA
+PJ039603	GPTLMMR 	C33H60N10O9S2	804.3986	NA	PeJP	NA	NA
+PJ039604	ASPLMMR 	C33H60N10O9S2	804.3987	NA	PeJP	NA	NA
+PJ039605	SSNRRW 	C33H52N14O10	804.3991	NA	PeJP	NA	NA
+PJ039606	GLLMWW 	C41H56N8O7S	804.3993	NA	PeJP	NA	NA
+MJ094968	N-Deacyltunicamycin; 5,6-Dihydro, N4''-(10-methyl-2-dodecenoyl) 	C36H60N4O16	804.400431	NA	MeJP	NA	NA
+MJ094969	N-Deacyltunicamycin; 5,6-Dihydro, N4''-(11-methyl-2-dodecenoyl) 	C36H60N4O16	804.400431	NA	MeJP	NA	NA
+PJ039607	TLKEEW 	C37H56N8O12	804.4018	NA	PeJP	NA	NA
+PJ039608	SQQMRR 	C30H56N14O10S	804.4025	NA	PeJP	NA	NA
+PJ039609	PLKMMW 	C38H60N8O7S2	804.4027	NA	PeJP	NA	NA
+PJ039610	PTKHHW 	C38H52N12O8	804.4031	NA	PeJP	NA	NA
+PJ039611	GGVLHHW 	C38H52N12O8	804.4032	NA	PeJP	NA	NA
+PJ039612	GVLKEEM 	C34H60N8O12S	804.4052	NA	PeJP	NA	NA
+PJ039613	ALLYYY 	C42H56N6O10	804.4058	NA	PeJP	NA	NA
+PJ039614	GQKMRW 	C35H56N12O8S	804.4065	NA	PeJP	NA	NA
+PJ039615	GSTQKER 	C31H56N12O13	804.409	NA	PeJP	NA	NA
+MJ094970	11-[10-(11-Methoxyvincamajinyl)]vincorine; Ac 	C47H56N4O8	804.409814	NA	MeJP	NA	NA
+PJ039616	APCCKKR 	C32H60N12O8S2	804.4099	NA	PeJP	NA	NA
+PJ039617	AEHHRR 	C32H52N16O9	804.4104	NA	PeJP	NA	NA
+PJ039618	TTLERW 	C36H56N10O11	804.413	NA	PeJP	NA	NA
+PJ039619	GGGGGPLKY 	C36H56N10O11	804.4131	NA	PeJP	NA	NA
+PJ039620	SCQRRR 	C29H56N16O9S	804.4137	NA	PeJP	NA	NA
+MJ094971	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3,22-Di-O-?-D-galactopyranoside 	C39H64O17	804.41435	NA	MeJP	NA	NA
+MJ094972	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C39H64O17	804.41435	NA	MeJP	NA	NA
+MJ094973	2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one, 3-O-?-D-Galactopyranoside, 22-O-?-D-glucopyranoside 	C39H64O17	804.41435	NA	MeJP	NA	NA
+MJ094974	Spirostane-2,3,5,6,24-pentol, 2,24-Di-O-?-D-glucopyranoside 	C39H64O17	804.41435	NA	MeJP	NA	NA
+PJ039621	GLHHRW 	C37H52N14O7	804.4144	NA	PeJP	NA	NA
+PJ039622	LKEEMR 	C33H60N10O11S	804.4164	NA	PeJP	NA	NA
+C15725	Nostocyclopeptide A3	C41H56N8O9	804.417	NA	KEGG	NA	NA
+PJ039623	STLLWW 	C41H56N8O9	804.417	NA	PeJP	NA	NA
+PJ039624	VTTLWW 	C41H56N8O9	804.4171	NA	PeJP	NA	NA
+PJ039625	GCKRRW 	C34H56N14O7S	804.4178	NA	PeJP	NA	NA
+PJ039626	GSTTQRR 	C30H56N14O12	804.4202	NA	PeJP	NA	NA
+PJ039627	GSSDKRR 	C30H56N14O12	804.4203	NA	PeJP	NA	NA
+PJ039628	VLKEMW 	C38H60N8O9S	804.4204	NA	PeJP	NA	NA
+PJ039629	VVFFFF 	C46H56N6O7	804.4211	NA	PeJP	NA	NA
+PJ039630	SSLLKEE 	C34H60N8O14	804.4229	NA	PeJP	NA	NA
+PJ039631	SPVLKMM 	C35H64N8O9S2	804.4238	NA	PeJP	NA	NA
+PJ039632	STQKRW 	C35H56N12O10	804.4243	NA	PeJP	NA	NA
+PJ039633	TLEMRR 	C32H60N12O10S	804.4276	NA	PeJP	NA	NA
+PJ039634	GGKKEMR 	C32H60N12O10S	804.4277	NA	PeJP	NA	NA
+MJ094975	Yunnanin D 	C40H56N10O8	804.428258	NA	MeJP	NA	NA
+PJ039635	GTKKWW 	C40H56N10O8	804.4283	NA	PeJP	NA	NA
+MJ094976	Noboritomycin A 	C43H64O14	804.429606	NA	MeJP	NA	NA
+PJ039636	GSSSRRR 	C29H56N16O11	804.4315	NA	PeJP	NA	NA
+PJ039637	SLLMRW 	C37H60N10O8S	804.4317	NA	PeJP	NA	NA
+MJ094977	Tryptophyllin L 1.4 	C45H56N8O6	804.432281	NA	MeJP	NA	NA
+PJ039638	STTLQQK 	C33H60N10O13	804.4341	NA	PeJP	NA	NA
+PJ039639	SSTLLER 	C33H60N10O13	804.4342	NA	PeJP	NA	NA
+PJ039640	AALLMMR 	C34H64N10O8S2	804.435	NA	PeJP	NA	NA
+PJ039641	AQQFRR 	C34H56N14O9	804.4355	NA	PeJP	NA	NA
+PJ039642	SSSLLLW 	C38H60N8O11	804.4382	NA	PeJP	NA	NA
+PJ039643	SQKMRR 	C31H60N14O9S	804.4389	NA	PeJP	NA	NA
+PJ039644	PPLHRW 	C39H56N12O7	804.4395	NA	PeJP	NA	NA
+PJ039645	ATLLKEM 	C35H64N8O11S	804.4416	NA	PeJP	NA	NA
+PJ039646	GKKMRW 	C36H60N12O7S	804.4429	NA	PeJP	NA	NA
+PJ039647	GSTKKER 	C32H60N12O12	804.4454	NA	PeJP	NA	NA
+PJ039648	VLMMRR 	C33H64N12O7S2	804.4463	NA	PeJP	NA	NA
+PJ039649	GNFRRR 	C33H56N16O8	804.4467	NA	PeJP	NA	NA
+PJ039650	GGGFRRR 	C33H56N16O8	804.4468	NA	PeJP	NA	NA
+PJ039651	SKKKEW 	C37H60N10O10	804.4494	NA	PeJP	NA	NA
+PJ039652	SCKRRR 	C30H60N16O8S	804.4501	NA	PeJP	NA	NA
+MJ094978	Ergost-22-ene-3,4,6,8,15,16,28-heptol, 28-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] 	C40H68O16	804.450736	NA	MeJP	NA	NA
+PJ039653	ATTLLMR 	C34H64N10O10S	804.4528	NA	PeJP	NA	NA
+PJ039654	PVLKYW 	C42H60N8O8	804.4534	NA	PeJP	NA	NA
+PJ039655	GGLLLFW 	C42H60N8O8	804.4535	NA	PeJP	NA	NA
+PJ039656	GSTTKRR 	C31H60N14O11	804.4566	NA	PeJP	NA	NA
+PJ039657	GPLLKMF 	C39H64N8O8S	804.4568	NA	PeJP	NA	NA
+PJ039658	TTTLLKE 	C35H64N8O13	804.4593	NA	PeJP	NA	NA
+PJ039659	GLLLKMM 	C36H68N8O8S2	804.4602	NA	PeJP	NA	NA
+PJ039660	STKKRW 	C36H60N12O9	804.4607	NA	PeJP	NA	NA
+PJ039661	DKKKMR 	C33H64N12O9S	804.464	NA	PeJP	NA	NA
+PJ039662	ALLFRW 	C41H60N10O7	804.4647	NA	PeJP	NA	NA
+MJ094979	Okadaic acid 	C44H68O13	804.465992	NA	MeJP	NA	NA
+C01945	Okadaic acid	C44H68O13	804.466	NA	KEGG	NA	NA
+PJ039663	CLKKKW 	C38H64N10O7S	804.468	NA	PeJP	NA	NA
+PJ039664	TTTTLLR 	C34H64N10O12	804.4705	NA	PeJP	NA	NA
+PJ039665	GGTTTLKK 	C34H64N10O12	804.4706	NA	PeJP	NA	NA
+PJ039666	AQKFRR 	C35H60N14O8	804.4719	NA	PeJP	NA	NA
+PJ039667	APTLLKY 	C39H64N8O10	804.4746	NA	PeJP	NA	NA
+PJ039668	SKKMRR 	C32H64N14O8S	804.4753	NA	PeJP	NA	NA
+PJ039669	STLLLKM 	C36H68N8O10S	804.4779	NA	PeJP	NA	NA
+PJ039670	SSSLKKR 	C33H64N12O11	804.4818	NA	PeJP	NA	NA
+PJ039671	LLLQRY 	C38H64N10O9	804.4858	NA	PeJP	NA	NA
+MJ094980	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-?-D-mannopyranoside, D-mannitol-1-yl ester 	C41H72O15	804.487121	NA	MeJP	NA	NA
+MJ094981	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-?-D-mannopyranoside, D-mannitol-2-yl ester 	C41H72O15	804.487121	NA	MeJP	NA	NA
+MJ094982	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 14,15-Didehydro, 13-O-?-D-mannopyranoside, D-mannitol-3-yl ester 	C41H72O15	804.487121	NA	MeJP	NA	NA
+MJ094983	Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[2,4-Di-O-Methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside] 	C41H72O15	804.487121	NA	MeJP	NA	NA
+MJ094984	Stigmastane-3,6,8,15,16,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] 	C41H72O15	804.487121	NA	MeJP	NA	NA
+PJ039672	GTLKKKM 	C35H68N10O9S	804.4892	NA	PeJP	NA	NA
+PJ039673	VLLKFW 	C43H64N8O7	804.4898	NA	PeJP	NA	NA
+PJ039674	VVLRRY 	C37H64N12O8	804.497	NA	PeJP	NA	NA
+MJ094985	44-Homooligomycin A; 20-Deethyl, 20-methyl, 28-oxo 	C45H72O12	804.502377	NA	MeJP	NA	NA
+MJ094986	Oligomycin A; 28-Oxo 	C45H72O12	804.502377	NA	MeJP	NA	NA
+C11312	Oligomycin B	C45H72O12	804.5024	NA	KEGG	NA	NA
+PJ039675	STTLKKK 	C35H68N10O11	804.5069	NA	PeJP	NA	NA
+PJ039676	AKKFRR 	C36H64N14O7	804.5083	NA	PeJP	NA	NA
+PJ039677	GVLLLKY 	C40H68N8O9	804.511	NA	PeJP	NA	NA
+PJ039678	LLLKRY 	C39H68N10O8	804.5222	NA	PeJP	NA	NA
+MJ094987	Halymecin A 	C42H76O14	804.523507	NA	MeJP	NA	NA
+PJ039679	VKKKFR 	C38H68N12O7	804.5334	NA	PeJP	NA	NA
+MJ094988	44-Homooligomycin A 	C46H76O11	804.538763	NA	MeJP	NA	NA
+MJ094989	Oligomycin F 	C46H76O11	804.538763	NA	MeJP	NA	NA
+MJ094990	16-[[3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]oxy]hexadecyl 16-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]hexadecanoate 	C50H76O8	804.554019	NA	MeJP	NA	NA
+EUR1110	SM(d18:1/22:3) [M+Na]+	C45H87N2O6P	804.612122	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1110	SM(d18:1/22:3) [M+Na]+	C45H87N2O6P	804.612122	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1110	SM(d18:1/22:3) [M+Na]+	C45H87N2O6P	804.612122	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1110	SM(d18:1/22:3) [M+Na]+	C45H87N2O6P	804.612122	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1092	SM(d18:1/20:0) [M+FA-H]-	C43H87N2O6P	804.635056	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1092	SM(d18:1/20:0) [M+FA-H]-	C43H87N2O6P	804.635056	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1092	SM(d18:1/20:0) [M+FA-H]-	C43H87N2O6P	804.635056	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1092	SM(d18:1/20:0) [M+FA-H]-	C43H87N2O6P	804.635056	masses lipides attendues	Inhousejuil11	NA	NA
+MJ094991	2-Decaprenyl-6-methoxyphenol 	C57H88O2	804.678432	NA	MeJP	NA	NA
+HMDB05359	TG(16:0/16:0/16:1(9Z))[iso3]	C51H96O6	804.7207	http://www.hmdb.ca/metabolites/HMDB05359	HMDB	NA	NA
+HMDB05359	TG(16:0/16:0/16:1(9Z))[iso3]	C51H96O6	804.7207	HMDB05359	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05359	TG(16:0/16:0/16:1(9Z))[iso3]	C51H96O6	804.720703	NA	HMDB2010	NA	NA
+HMDB10414	TG(16:0/14:0/18:1(9Z))[iso6]	C51H96O6	804.720703	NA	HMDB2010	NA	NA
+HMDB10426	TG(18:0/14:0/16:1(9Z))[iso6]	C51H96O6	804.720703	NA	HMDB2010	NA	NA
+MJ094992	12-Ursen-3-ol, Hexacosanoyl 	C56H100O2	804.772332	NA	MeJP	NA	NA
+MJ094993	20(29)-Lupen-3-ol, Hexacosanoyl 	C56H100O2	804.772332	NA	MeJP	NA	NA
+MJ094994	Hancolupenol; Hexacosanoyl 	C56H100O2	804.772332	NA	MeJP	NA	NA
+PJ039680	CCCCDEM 	C26H43N7O12S5	805.1574	NA	PeJP	NA	NA
+PJ039681	GSCCCCCQ 	C25H43N9O11S5	805.1686	NA	PeJP	NA	NA
+PJ039682	SSSCCCCN 	C25H43N9O13S4	805.1863	NA	PeJP	NA	NA
+PJ039683	GGSSSCCCC 	C25H43N9O13S4	805.1864	NA	PeJP	NA	NA
+PJ039684	PCCCCDY 	C30H43N7O11S4	805.1904	NA	PeJP	NA	NA
+PJ039685	SCCCEMM 	C27H47N7O11S5	805.1937	NA	PeJP	NA	NA
+PJ039686	CCCCNNF 	C29H43N9O10S4	805.2016	NA	PeJP	NA	NA
+PJ039687	GSCCCCCK 	C26H47N9O10S5	805.205	NA	PeJP	NA	NA
+PJ039688	GCCDDMY 	C30H43N7O13S3	805.2081	NA	PeJP	NA	NA
+PJ039689	PCCCCMF 	C31H47N7O8S5	805.209	NA	PeJP	NA	NA
+PJ039690	GCCMMMM 	C28H51N7O8S6	805.2124	NA	PeJP	NA	NA
+PJ039691	TCCCCHH 	C28H43N11O9S4	805.2128	NA	PeJP	NA	NA
+PJ039692	SCDDDDH 	C28H39N9O17S	805.2185	NA	PeJP	NA	NA
+PJ039693	SCCCNNY 	C29H43N9O12S3	805.2194	NA	PeJP	NA	NA
+PJ039694	CCCEYW 	C34H43N7O10S3	805.2234	NA	PeJP	NA	NA
+PJ039695	PDDDDDD 	C29H39N7O20	805.225	NA	PeJP	NA	NA
+PJ039696	SSCCDEY 	C30H43N7O15S2	805.2259	NA	PeJP	NA	NA
+PJ039697	SPCCCMY 	C31H47N7O10S4	805.2267	NA	PeJP	NA	NA
+PJ039698	GCCDMMF 	C31H47N7O10S4	805.2268	NA	PeJP	NA	NA
+PJ039699	STCCMMM 	C28H51N7O10S5	805.2301	NA	PeJP	NA	NA
+PJ039700	GCDDEMH 	C29H43N9O14S2	805.2371	NA	PeJP	NA	NA
+PJ039701	GCCDDFF 	C34H43N7O12S2	805.2411	NA	PeJP	NA	NA
+PJ039702	GSCDMMY 	C31H47N7O12S3	805.2445	NA	PeJP	NA	NA
+PJ039703	GCCCHHF 	C32H43N11O8S3	805.2459	NA	PeJP	NA	NA
+PJ039704	SCCNNEH 	C28H43N11O13S2	805.2484	NA	PeJP	NA	NA
+PJ039705	CDDMHW 	C33H43N9O11S2	805.2524	NA	PeJP	NA	NA
+PJ039706	SSDDDMH 	C29H43N9O16S	805.2549	NA	PeJP	NA	NA
+PJ039707	SPCCEMH 	C30H47N9O11S3	805.2557	NA	PeJP	NA	NA
+PJ039708	CNDEYY 	C34H43N7O14S	805.2589	NA	PeJP	NA	NA
+PJ039709	TCCMYW 	C35H47N7O9S3	805.2598	NA	PeJP	NA	NA
+PJ039710	SPDDDEE 	C30H43N7O19	805.2614	NA	PeJP	NA	NA
+PJ039711	SSSCEMY 	C31H47N7O14S2	805.2623	NA	PeJP	NA	NA
+MJ094995	Penimocycline 	C39H43N5O12S	805.262892	NA	MeJP	NA	NA
+PJ039712	CQMMMY 	C32H51N7O9S4	805.2631	NA	PeJP	NA	NA
+PJ039713	GSCCNHW 	C32H43N11O10S2	805.2636	NA	PeJP	NA	NA
+PJ039714	GSSSCNDH 	C28H43N11O15S	805.2661	NA	PeJP	NA	NA
+PJ039715	GCNNMMH 	C29H47N11O10S3	805.267	NA	PeJP	NA	NA
+PJ039716	GPCNDDW 	C33H43N9O13S	805.2701	NA	PeJP	NA	NA
+PJ039717	GGGPCDDW 	C33H43N9O13S	805.2702	NA	PeJP	NA	NA
+PJ039718	PPCCCHF 	C34H47N9O8S3	805.271	NA	PeJP	NA	NA
+PJ039719	GNNDEEE 	C29H43N9O18	805.2726	NA	PeJP	NA	NA
+PJ039720	GGGNDEEE 	C29H43N9O18	805.2727	NA	PeJP	NA	NA
+PJ039721	GSDEMMH 	C30H47N9O13S2	805.2735	NA	PeJP	NA	NA
+PJ039722	GCDYYW 	C38H43N7O11S	805.2742	NA	PeJP	NA	NA
+PJ039723	CCMMRY 	C31H51N9O8S4	805.2744	NA	PeJP	NA	NA
+PJ039724	GSSDDYY 	C34H43N7O16	805.2767	NA	PeJP	NA	NA
+PJ039725	CNNNNNN 	C27H43N13O14S	805.2773	NA	PeJP	NA	NA
+PJ039726	GGGGCNNNN 	C27H43N13O14S	805.2774	NA	PeJP	NA	NA
+PJ039727	GPTCCYY 	C35H47N7O11S2	805.2775	NA	PeJP	NA	NA
+PJ039728	GCCCQHR 	C28H47N13O9S3	805.2782	NA	PeJP	NA	NA
+MJ094996	Perdeacyleuojaponin; 1,2,6,8,9,14-Hexa-Ac 	C38H47NO18	805.279313	NA	MeJP	NA	NA
+MJ094997	Perdeacylhypoglaunine; 23-Deoxy, 1,2,6,8,9,14-hexa-Ac 	C38H47NO18	805.279313	NA	MeJP	NA	NA
+MJ094998	Perdeacylisowilfordine; 26-Deoxy, 1,2,6,8,9,14-penta-Ac 	C38H47NO18	805.279313	NA	MeJP	NA	NA
+MJ094999	Perdeacylwilforine; 1,2,6,8,9,14-Hexa-Ac 	C38H47NO18	805.279313	NA	MeJP	NA	NA
+PJ039729	GPDEEEM 	C31H47N7O16S	805.28	NA	PeJP	NA	NA
+PJ039730	GSSMMMY 	C32H51N7O11S3	805.2809	NA	PeJP	NA	NA
+PJ039731	GCNNDHF 	C32H43N11O12S	805.2814	NA	PeJP	NA	NA
+PJ039732	GNDDDDR 	C28H43N11O17	805.2839	NA	PeJP	NA	NA
+PJ039733	SSCNQMH 	C29H47N11O12S2	805.2847	NA	PeJP	NA	NA
+PJ039734	GGGGSTCMH 	C29H47N11O12S2	805.2848	NA	PeJP	NA	NA
+PJ039735	NNDEEW 	C33H43N9O15	805.2879	NA	PeJP	NA	NA
+PJ039736	SDMMHW 	C34H47N9O10S2	805.2888	NA	PeJP	NA	NA
+PJ039737	SSSEEMH 	C30H47N9O15S	805.2913	NA	PeJP	NA	NA
+PJ039738	QEMMMH 	C31H51N9O10S3	805.2921	NA	PeJP	NA	NA
+PJ039739	GGGGPPCMM 	C31H51N9O10S3	805.2922	NA	PeJP	NA	NA
+PJ039740	GSCEHHH 	C31H43N13O11S	805.2926	NA	PeJP	NA	NA
+PJ039741	GCMFYW 	C39H47N7O8S2	805.2928	NA	PeJP	NA	NA
+PJ039742	PDEEMW 	C35H47N7O13S	805.2953	NA	PeJP	NA	NA
+PJ039743	SSCCNHR 	C28H47N13O11S2	805.296	NA	PeJP	NA	NA
+PJ039744	CQMMFF 	C36H51N7O8S3	805.2962	NA	PeJP	NA	NA
+PJ039745	AAEEEEE 	C31H47N7O18	805.2978	NA	PeJP	NA	NA
+PJ039746	SSSTMMY 	C32H51N7O13S2	805.2986	NA	PeJP	NA	NA
+PJ039747	SPPDEMM 	C32H51N7O13S2	805.2987	NA	PeJP	NA	NA
+PJ039748	GSNNNDW 	C32H43N11O14	805.2991	NA	PeJP	NA	NA
+PJ039749	GGGGGGGSDW 	C32H43N11O14	805.2992	NA	PeJP	NA	NA
+PJ039750	CKMMMY 	C33H55N7O8S4	805.2995	NA	PeJP	NA	NA
+PJ039751	SPCNDDR 	C29H47N11O14S	805.3025	NA	PeJP	NA	NA
+PJ039752	GNDEWW 	C37H43N9O12	805.3032	NA	PeJP	NA	NA
+PJ039753	CEMMHR 	C30H51N11O9S3	805.3034	NA	PeJP	NA	NA
+PJ039754	GSPNDMW 	C34H47N9O12S	805.3065	NA	PeJP	NA	NA
+PJ039755	AMMMHW 	C35H51N9O7S3	805.3074	NA	PeJP	NA	NA
+PJ039756	SCHHHW 	C35H43N13O8S	805.3079	NA	PeJP	NA	NA
+PJ039757	DEEEER 	C30H47N9O17	805.309	NA	PeJP	NA	NA
+PJ039758	GTTEMMH 	C31H51N9O12S2	805.3099	NA	PeJP	NA	NA
+PJ039759	SSSDHHH 	C31H43N13O13	805.3104	NA	PeJP	NA	NA
+PJ039760	GSMYYW 	C39H47N7O10S	805.3105	NA	PeJP	NA	NA
+PJ039761	NMMHHH 	C32H47N13O8S2	805.3112	NA	PeJP	NA	NA
+PJ039762	GSSTEYY 	C35H47N7O15	805.313	NA	PeJP	NA	NA
+PJ039763	VDEEEW 	C35H47N7O15	805.3131	NA	PeJP	NA	NA
+PJ039764	GCNNNER 	C28H47N13O13S	805.3137	NA	PeJP	NA	NA
+PJ039765	GGGGGGGCER 	C28H47N13O13S	805.3138	NA	PeJP	NA	NA
+PJ039766	AQMMYY 	C36H51N7O10S2	805.3139	NA	PeJP	NA	NA
+PJ039767	PDDHHW 	C36H43N11O11	805.3144	NA	PeJP	NA	NA
+PJ039768	GCCCKHR 	C29H51N13O8S3	805.3146	NA	PeJP	NA	NA
+PJ039769	APTEEEM 	C32H51N7O15S	805.3164	NA	PeJP	NA	NA
+PJ039770	APPEMMM 	C33H55N7O10S3	805.3173	NA	PeJP	NA	NA
+PJ039771	NNNQMW 	C33H47N11O11S	805.3177	NA	PeJP	NA	NA
+PJ039772	GGNNQMW 	C33H47N11O11S	805.3178	NA	PeJP	NA	NA
+PJ039773	NDWWW 	C41H43N9O9	805.3184	NA	PeJP	NA	NA
+PJ039774	SSSSSSQH 	C29H47N11O16	805.3202	NA	PeJP	NA	NA
+PJ039775	GSNDEER 	C29H47N11O16	805.3203	NA	PeJP	NA	NA
+PJ039776	GPCNEMR 	C30H51N11O11S2	805.3211	NA	PeJP	NA	NA
+PJ039777	GGGGGAPCCK 	C30H51N11O11S2	805.3212	NA	PeJP	NA	NA
+PJ039778	GNNNNHH 	C30H43N15O12	805.3216	NA	PeJP	NA	NA
+PJ039779	SPCQWW 	C38H47N9O9S	805.3218	NA	PeJP	NA	NA
+PJ039780	SQQEEW 	C34H47N9O14	805.3243	NA	PeJP	NA	NA
+PJ039781	TTMMHW 	C35H51N9O9S2	805.3251	NA	PeJP	NA	NA
+PJ039782	GGGAPMMW 	C35H51N9O9S2	805.3252	NA	PeJP	NA	NA
+PJ039783	NDHHHF 	C35H43N13O10	805.3256	NA	PeJP	NA	NA
+PJ039784	GCFFFW 	C43H47N7O7S	805.3258	NA	PeJP	NA	NA
+PJ039785	STTTEMH 	C31H51N9O14S	805.3276	NA	PeJP	NA	NA
+PJ039786	GGGVQEEM 	C31H51N9O14S	805.3277	NA	PeJP	NA	NA
+PJ039787	SSTYYW 	C39H47N7O12	805.3283	NA	PeJP	NA	NA
+PJ039788	KEMMMH 	C32H55N9O9S3	805.3285	NA	PeJP	NA	NA
+PJ039789	CNNNRW 	C32H47N13O10S	805.329	NA	PeJP	NA	NA
+PJ039790	SSNNNDR 	C28H47N13O15	805.3315	NA	PeJP	NA	NA
+PJ039791	SDKMYY 	C36H51N7O12S	805.3317	NA	PeJP	NA	NA
+PJ039792	GPCCDRR 	C29H51N13O10S2	805.3324	NA	PeJP	NA	NA
+PJ039793	CKMMFF 	C37H55N7O7S3	805.3325	NA	PeJP	NA	NA
+PJ039794	GTLEEEE 	C32H51N7O17	805.3342	NA	PeJP	NA	NA
+PJ039795	GPLEEMM 	C33H55N7O12S2	805.335	NA	PeJP	NA	NA
+PJ039796	APVEEMM 	C33H55N7O12S2	805.3351	NA	PeJP	NA	NA
+PJ039797	SNDERW 	C33H47N11O13	805.3355	NA	PeJP	NA	NA
+PJ039798	PCNMRW 	C34H51N11O8S2	805.3364	NA	PeJP	NA	NA
+PJ039799	MHFWW 	C42H47N9O6S	805.337	NA	PeJP	NA	NA
+PJ039800	NQEEMR 	C30H51N11O13S	805.3389	NA	PeJP	NA	NA
+PJ039801	GTQEWW 	C38H47N9O11	805.3395	NA	PeJP	NA	NA
+PJ039802	GGGGPEFW 	C38H47N9O11	805.3396	NA	PeJP	NA	NA
+PJ039803	TMMMHR 	C31H55N11O8S3	805.3398	NA	PeJP	NA	NA
+PJ039804	VNQEMW 	C35H51N9O11S	805.3429	NA	PeJP	NA	NA
+PJ039805	QFYYW 	C43H47N7O9	805.3435	NA	PeJP	NA	NA
+PJ039806	GAFYYW 	C43H47N7O9	805.3436	NA	PeJP	NA	NA
+PJ039807	GSQKEEE 	C31H51N9O16	805.3454	NA	PeJP	NA	NA
+PJ039808	SSTLMMH 	C32H55N9O11S2	805.3463	NA	PeJP	NA	NA
+PJ039809	SSTTHHH 	C32H47N13O12	805.3467	NA	PeJP	NA	NA
+PJ039810	GGAAQEHH 	C32H47N13O12	805.3468	NA	PeJP	NA	NA
+PJ039811	PPEMFW 	C40H51N7O9S	805.3469	NA	PeJP	NA	NA
+PJ039812	TLEEEW 	C36H51N7O14	805.3494	NA	PeJP	NA	NA
+PJ039813	NDDMRR 	C29H51N13O12S	805.3501	NA	PeJP	NA	NA
+PJ039814	PLEMMW 	C37H55N7O9S2	805.3503	NA	PeJP	NA	NA
+PJ039815	GSDRWW 	C37H47N11O10	805.3508	NA	PeJP	NA	NA
+PJ039816	GVLEEEM 	C33H55N7O14S	805.3528	NA	PeJP	NA	NA
+PJ039817	SPPLMMM 	C34H59N7O9S3	805.3537	NA	PeJP	NA	NA
+PJ039818	GQEMRW 	C34H51N11O10S	805.3541	NA	PeJP	NA	NA
+PJ039819	GGAEMRW 	C34H51N11O10S	805.3542	NA	PeJP	NA	NA
+PJ039820	TQWWW 	C42H47N9O8	805.3548	NA	PeJP	NA	NA
+PJ039821	GSTQEER 	C30H51N11O15	805.3566	NA	PeJP	NA	NA
+PJ039822	GGGGSSQKE 	C30H51N11O15	805.3567	NA	PeJP	NA	NA
+PJ039823	GSPQMMR 	C31H55N11O10S2	805.3575	NA	PeJP	NA	NA
+PJ039824	NNEHHR 	C31H47N15O11	805.358	NA	PeJP	NA	NA
+PJ039825	GVQMWW 	C39H51N9O8S	805.3582	NA	PeJP	NA	NA
+MJ095000	Microginin 99A; 1-Chloro 	C40H57Cl2N5O8	805.358419	NA	MeJP	NA	NA
+PJ039826	SSPTTQW 	C35H51N9O13	805.3606	NA	PeJP	NA	NA
+PJ039827	SQKEEW 	C35H51N9O13	805.3607	NA	PeJP	NA	NA
+PJ039828	GSCNNRR 	C28H51N15O11S	805.3614	NA	PeJP	NA	NA
+PJ039829	PNKMMW 	C36H55N9O8S2	805.3615	NA	PeJP	NA	NA
+PJ039830	AQQHHW 	C36H47N13O9	805.362	NA	PeJP	NA	NA
+PJ039831	LEEEMR 	C32H55N9O13S	805.364	NA	PeJP	NA	NA
+PJ039832	GGGVKEEM 	C32H55N9O13S	805.3641	NA	PeJP	NA	NA
+PJ039833	PVEEFW 	C40H51N7O11	805.3647	NA	PeJP	NA	NA
+PJ039834	PPCCKKM 	C33H59N9O8S3	805.3649	NA	PeJP	NA	NA
+PJ039835	GCERRW 	C33H51N13O9S	805.3654	NA	PeJP	NA	NA
+MJ095001	Taxol?; 7-Epimer, N-debenzoyl, N-hexanoyl, 10-de-Ac 	C44H55NO13	805.36734	NA	MeJP	NA	NA
+MJ095002	Taxol?; N-Debenzoyl, N-hexanoyl, 10-de-Ac 	C44H55NO13	805.36734	NA	MeJP	NA	NA
+PJ039836	GSSDERR 	C29H51N13O14	805.3679	NA	PeJP	NA	NA
+PJ039837	TTKMYY 	C37H55N7O11S	805.368	NA	PeJP	NA	NA
+PJ039838	VLEEMW 	C37H55N7O11S	805.3681	NA	PeJP	NA	NA
+PJ039839	GSPCMRR 	C30H55N13O9S2	805.3688	NA	PeJP	NA	NA
+PJ039840	QMRWW 	C38H51N11O7S	805.3694	NA	PeJP	NA	NA
+PJ039841	SSLLEEE 	C33H55N7O16	805.3706	NA	PeJP	NA	NA
+PJ039842	SPVLEMM 	C34H59N7O11S2	805.3714	NA	PeJP	NA	NA
+PJ039843	STQERW 	C34H51N11O12	805.3719	NA	PeJP	NA	NA
+PJ039844	CLMHFR 	C35H55N11O7S2	805.3728	NA	PeJP	NA	NA
+PJ039845	GNHHRW 	C35H47N15O8	805.3732	NA	PeJP	NA	NA
+PJ039846	GGGHHRW 	C35H47N15O8	805.3733	NA	PeJP	NA	NA
+PJ039847	NKEEMR 	C31H55N11O12S	805.3753	NA	PeJP	NA	NA
+PJ039848	GTKEWW 	C39H51N9O10	805.3759	NA	PeJP	NA	NA
+PJ039849	VNKEMW 	C36H55N9O10S	805.3793	NA	PeJP	NA	NA
+PJ039850	KFYYW 	C44H51N7O8	805.3799	NA	PeJP	NA	NA
+PJ039851	GAAFFFF 	C44H51N7O8	805.38	NA	PeJP	NA	NA
+PJ039852	CRRWW 	C37H51N13O6S	805.3806	NA	PeJP	NA	NA
+PJ039853	GSKKEEE 	C32H55N9O15	805.3818	NA	PeJP	NA	NA
+PJ039854	GPDKKMM 	C33H59N9O10S2	805.3827	NA	PeJP	NA	NA
+PJ039855	SSDRRW 	C33H51N13O11	805.3831	NA	PeJP	NA	NA
+PJ039856	GGGGGAQFR 	C33H51N13O11	805.3832	NA	PeJP	NA	NA
+PJ039857	PPLMYW 	C41H55N7O8S	805.3833	NA	PeJP	NA	NA
+PJ039858	GPVLEEY 	C37H55N7O13	805.3858	NA	PeJP	NA	NA
+PJ039859	SQEMRR 	C30H55N13O11S	805.3865	NA	PeJP	NA	NA
+PJ039860	APPLMMF 	C38H59N7O8S2	805.3867	NA	PeJP	NA	NA
+PJ039861	GTTRWW 	C38H51N11O9	805.3872	NA	PeJP	NA	NA
+PJ039862	ATLLEEM 	C34H59N7O13S	805.3892	NA	PeJP	NA	NA
+PJ039863	APLLMMM 	C35H63N7O8S3	805.3901	NA	PeJP	NA	NA
+PJ039864	GKEMRW 	C35H55N11O9S	805.3905	NA	PeJP	NA	NA
+PJ039865	TKWWW 	C43H51N9O7	805.3912	NA	PeJP	NA	NA
+PJ039866	GSTKEER 	C31H55N11O14	805.393	NA	PeJP	NA	NA
+PJ039867	GSPKMMR 	C32H59N11O9S2	805.3939	NA	PeJP	NA	NA
+PJ039868	NDKHHR 	C32H51N15O10	805.3944	NA	PeJP	NA	NA
+PJ039869	GVKMWW 	C40H55N9O7S	805.3946	NA	PeJP	NA	NA
+PJ039870	SKKEEW 	C36H55N9O12	805.397	NA	PeJP	NA	NA
+PJ039871	GSVTKEW 	C36H55N9O12	805.3971	NA	PeJP	NA	NA
+PJ039872	SCERRR 	C29H55N15O10S	805.3977	NA	PeJP	NA	NA
+PJ039873	LKMMHF 	C37H59N9O7S2	805.3979	NA	PeJP	NA	NA
+PJ039874	PPNHRW 	C37H51N13O8	805.3984	NA	PeJP	NA	NA
+PJ039875	AAKKEEM 	C33H59N9O12S	805.4004	NA	PeJP	NA	NA
+PJ039876	PVLEYW 	C41H55N7O10	805.4011	NA	PeJP	NA	NA
+PJ039877	GTMRRW 	C34H55N13O8S	805.4018	NA	PeJP	NA	NA
+PJ039878	SSSNQKR 	C30H55N13O13	805.4042	NA	PeJP	NA	NA
+PJ039879	GSTTERR 	C30H55N13O13	805.4043	NA	PeJP	NA	NA
+PJ039880	SPPVLMY 	C38H59N7O10S	805.4044	NA	PeJP	NA	NA
+PJ039881	GPLLEMF 	C38H59N7O10S	805.4045	NA	PeJP	NA	NA
+PJ039882	VNMMRR 	C31H59N13O8S2	805.4051	NA	PeJP	NA	NA
+PJ039883	SNHHRR 	C31H51N17O9	805.4056	NA	PeJP	NA	NA
+PJ039884	KMRWW 	C39H55N11O6S	805.4058	NA	PeJP	NA	NA
+PJ039885	TTTLLEE 	C34H59N7O15	805.4069	NA	PeJP	NA	NA
+PJ039886	GLLLEMM 	C35H63N7O10S2	805.4078	NA	PeJP	NA	NA
+PJ039887	STKERW 	C35H55N11O11	805.4083	NA	PeJP	NA	NA
+PJ039888	SSPTKMR 	C32H59N11O11S	805.4116	NA	PeJP	NA	NA
+PJ039889	DKKEMR 	C32H59N11O11S	805.4117	NA	PeJP	NA	NA
+PJ039890	SSLKWW 	C40H55N9O9	805.4123	NA	PeJP	NA	NA
+PJ039891	VDKKMW 	C37H59N9O9S	805.4157	NA	PeJP	NA	NA
+PJ039892	PPLFFW 	C45H55N7O7	805.4163	NA	PeJP	NA	NA
+PJ039893	GMMRRR 	C30H59N15O7S2	805.4164	NA	PeJP	NA	NA
+PJ039894	ATTKKEE 	C33H59N9O14	805.4182	NA	PeJP	NA	NA
+PJ039895	APTKKMM 	C34H63N9O9S2	805.419	NA	PeJP	NA	NA
+PJ039896	GVLQKMM 	C34H63N9O9S2	805.4191	NA	PeJP	NA	NA
+PJ039897	STTRRW 	C34H55N13O10	805.4195	NA	PeJP	NA	NA
+PJ039898	PLLMFW 	C42H59N7O7S	805.4197	NA	PeJP	NA	NA
+PJ039899	APTLLEY 	C38H59N7O12	805.4222	NA	PeJP	NA	NA
+PJ039900	SKEMRR 	C31H59N13O10S	805.4229	NA	PeJP	NA	NA
+PJ039901	LLLMMW 	C39H63N7O7S2	805.4231	NA	PeJP	NA	NA
+PJ039902	GPKRYW 	C39H55N11O8	805.4235	NA	PeJP	NA	NA
+PJ039903	GGALFRW 	C39H55N11O8	805.4236	NA	PeJP	NA	NA
+MJ095003	Ganefromycin ?1; 13-Me ether, 32-O-(2,6-dideoxy-?-L-galactopyranoside) 	C42H63NO14	805.424855	NA	MeJP	NA	NA
+PJ039904	STLLLEM 	C35H63N7O12S	805.4256	NA	PeJP	NA	NA
+PJ039905	SVKMRW 	C36H59N11O8S	805.4269	NA	PeJP	NA	NA
+PJ039906	SSSLKER 	C32H59N11O13	805.4294	NA	PeJP	NA	NA
+PJ039907	LQKMMR 	C33H63N11O8S2	805.4303	NA	PeJP	NA	NA
+PJ039908	GDFRRR 	C33H55N15O9	805.4308	NA	PeJP	NA	NA
+PJ039909	GTTTLKW 	C37H59N9O11	805.4334	NA	PeJP	NA	NA
+PJ039910	GGGGGLLLY 	C37H59N9O11	805.4335	NA	PeJP	NA	NA
+PJ039911	STMRRR 	C30H59N15O9S	805.4341	NA	PeJP	NA	NA
+PJ039912	AAFRRW 	C38H55N13O7	805.4348	NA	PeJP	NA	NA
+PJ039913	GTLKKEM 	C34H63N9O11S	805.4368	NA	PeJP	NA	NA
+PJ039914	VLLEFW 	C42H59N7O9	805.4375	NA	PeJP	NA	NA
+PJ039915	PCKFRR 	C35H59N13O7S	805.4381	NA	PeJP	NA	NA
+PJ039916	SSSTLRR 	C31H59N13O12	805.4406	NA	PeJP	NA	NA
+PJ039917	GGSSSKKR 	C31H59N13O12	805.4407	NA	PeJP	NA	NA
+PJ039918	GPLLLMY 	C39H63N7O9S	805.4408	NA	PeJP	NA	NA
+PJ039919	CLKMRR 	C32H63N13O7S2	805.4415	NA	PeJP	NA	NA
+PJ039920	SVLLLMM 	C36H67N7O9S2	805.4442	NA	PeJP	NA	NA
+PJ039921	PDKKRY 	C36H59N11O10	805.4447	NA	PeJP	NA	NA
+PJ039922	GTTLKMR 	C33H63N11O10S	805.448	NA	PeJP	NA	NA
+PJ039923	GGGTKKKM 	C33H63N11O10S	805.4481	NA	PeJP	NA	NA
+PJ039924	PTKKFW 	C41H59N9O8	805.4487	NA	PeJP	NA	NA
+PJ039925	TLKKMW 	C38H63N9O8S	805.4521	NA	PeJP	NA	NA
+PJ039926	STTLKKE 	C34H63N9O13	805.4546	NA	PeJP	NA	NA
+PJ039927	GVLKKMM 	C35H67N9O8S2	805.4554	NA	PeJP	NA	NA
+PJ039928	SPKRRY 	C35H59N13O9	805.4559	NA	PeJP	NA	NA
+PJ039929	GVLLLEY 	C39H63N7O11	805.4586	NA	PeJP	NA	NA
+PJ039930	GSCKKKR 	C32H63N13O9S	805.4593	NA	PeJP	NA	NA
+PJ039931	GLKFRW 	C40H59N11O7	805.4599	NA	PeJP	NA	NA
+MJ095004	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C43H67NO13	805.461241	NA	MeJP	NA	NA
+PJ039932	PKKMFR 	C37H63N11O7S	805.4633	NA	PeJP	NA	NA
+PJ039933	STTTLKR 	C33H63N11O12	805.4658	NA	PeJP	NA	NA
+PJ039934	LKKMMR 	C34H67N11O7S2	805.4667	NA	PeJP	NA	NA
+PJ039935	GVRRRY 	C34H59N15O8	805.4671	NA	PeJP	NA	NA
+PJ039936	LLLERY 	C38H63N9O10	805.4698	NA	PeJP	NA	NA
+PJ039937	SSLLKKM 	C35H67N9O10S	805.4732	NA	PeJP	NA	NA
+PJ039938	VLLLYW 	C43H63N7O8	805.4738	NA	PeJP	NA	NA
+PJ039939	GPLLLFF 	C43H63N7O8	805.4739	NA	PeJP	NA	NA
+PJ039940	GLLLLMF 	C40H67N7O8S	805.4772	NA	PeJP	NA	NA
+PJ039941	RRRRY 	C33H59N17O7	805.4784	NA	PeJP	NA	NA
+PJ039942	VLQKRY 	C37H63N11O9	805.4811	NA	PeJP	NA	NA
+MJ095005	Erythromycin; 2'-(Ethyl carbonate) 	C40H71NO15	805.48237	NA	MeJP	NA	NA
+PJ039943	GSKKKKM 	C34H67N11O9S	805.4844	NA	PeJP	NA	NA
+PJ039944	VVKKFW 	C42H63N9O7	805.4851	NA	PeJP	NA	NA
+HMDB12373	PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C44H72NO10P	805.48938	NA	HMDB2010	NA	NA
+HMDB12416	PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))	C44H72NO10P	805.48938	NA	HMDB2010	NA	NA
+HMDB12436	PS(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	C44H72NO10P	805.48938	NA	HMDB2010	NA	NA
+HMDB12443	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	C44H72NO10P	805.48938	NA	HMDB2010	NA	NA
+PJ039945	ALKRRY 	C36H63N13O8	805.4923	NA	PeJP	NA	NA
+PJ039946	ATLLLLY 	C40H67N7O10	805.495	NA	PeJP	NA	NA
+MJ095006	Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, amide with (S)-valine Me ester, 3-Ac 	C44H71NO12	805.497626	NA	MeJP	NA	NA
+PJ039947	SSTKKKK 	C34H67N11O11	805.5022	NA	PeJP	NA	NA
+PJ039948	PLKHRR 	C35H63N15O7	805.5035	NA	PeJP	NA	NA
+PJ039949	AALLKKY 	C39H67N9O9	805.5062	NA	PeJP	NA	NA
+PJ039950	VLKKRY 	C38H67N11O8	805.5174	NA	PeJP	NA	NA
+MJ095007	Scytophycin C 	C45H75NO11	805.534012	NA	MeJP	NA	NA
+HMDB12317	3-O-Sulfogalactosylceramide (d18:1/18:1(9Z))	C42H79NO11S	805.537354	NA	HMDB2010	NA	NA
+PJ039951	VVLLLLH 	C40H71N9O8	805.5426	NA	PeJP	NA	NA
+PJ039952	KKKKKF 	C39H71N11O7	805.5538	NA	PeJP	NA	NA
+HMDB04866	Lactosylceramide (d18:1/12:0)	C42H79NO13	805.55511	http://www.hmdb.ca/metabolites/HMDB04866	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04866	Lactosylceramide (d18:1/12:0)	C42H79NO13	805.55511	http://www.hmdb.ca/metabolites/HMDB04866	HMDB	NA	NA
+HMDB04866	Lactosylceramide (d18:1/12:0)	C42H79NO13	805.55511	http://www.hmdb.ca/metabolites/HMDB04866	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04866	Lactosylceramide (d18:1/12:0)	C42H79NO13	805.55511	HMDB04866	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04866	Lactosylceramide (d18:1/12:0)	C42H79NO13	805.555115	NA	HMDB2010	NA	NA
+EUR970	PC 36:3 [M+Na]+	C44H82NO8P	805.559753	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR970	PC 36:3 [M+Na]+	C44H82NO8P	805.559753	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR970	PC 36:3 [M+Na]+	C44H82NO8P	805.559753	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR970	PC 36:3 [M+Na]+	C44H82NO8P	805.559753	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07991	PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08022	PC(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08024	PC(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08083	PC(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08116	PC(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08147	PC(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08148	PC(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08178	PC(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08179	PC(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08211	PC(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08212	PC(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08243	PC(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08339	PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08370	PC(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08371	PC(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08403	PC(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08404	PC(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08434	PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08467	PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08498	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08499	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08660	PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08693	PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+HMDB08725	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	C46H80NO8P	805.562134	NA	HMDB2010	NA	NA
+EUR1004	PC 38:6 monoisotopic mass 	C46H80NO8P	805.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1004	PC 38:6 monoisotopic mass 	C46H80NO8P	805.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1004	PC 38:6 monoisotopic mass 	C46H80NO8P	805.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1004	PC 38:6 monoisotopic mass 	C46H80NO8P	805.562157	masses lipides attendues	Inhousejuil11	NA	NA
+EUR942	PC 34:1 [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1032	16:0-18:1 PC [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR942	PC 34:1 [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1032	16:0-18:1 PC [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR942	PC 34:1 [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1032	16:0-18:1 PC [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR942	PC 34:1 [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1032	16:0-18:1 PC [M+FA-H]-	C42H82NO8P	805.582687	masses lipides attendues	Inhousejuil11	NA	NA
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR546	16 :0-18 :1 PC F3	NA	805.582925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR546	16 :0-18 :1 PC F3	NA	805.582925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR546	16 :0-18 :1 PC F3	NA	805.582925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR546	16 :0-18 :1 PC F3	NA	805.582925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR546	16 :0-18 :1 PC F3	F3	805.582925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+7062	coeliac toxic peptide	VQGQGHQPPQQPAQL	805.8965	MH2+	Inhouse_peptide	NA	peptide
+MJ095008	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,3-Bis-O-(3,4-dihydroxy-E-cinnamoyl) 	C38H30O20	806.133043	NA	MeJP	NA	NA
+PJ039953	GSCCCCCE 	C25H42N8O12S5	806.1526	NA	PeJP	NA	NA
+PJ039954	SCCCCCW 	C29H42N8O9S5	806.1679	NA	PeJP	NA	NA
+PJ039955	SSSCCCCD 	C25H42N8O14S4	806.1704	NA	PeJP	NA	NA
+PJ039956	CCCCNMM 	C26H46N8O9S6	806.1712	NA	PeJP	NA	NA
+PJ039957	CCCCNDF 	C29H42N8O11S4	806.1856	NA	PeJP	NA	NA
+PJ039958	GSTCCCCM 	C26H46N8O11S5	806.189	NA	PeJP	NA	NA
+MJ095009	Truxicurium(2+); Diiodide 	C34H52I2N2O4	806.201645	NA	MeJP	NA	NA
+PJ039959	SCCCNDY 	C29H42N8O13S3	806.2034	NA	PeJP	NA	NA
+PJ039960	SSSSCCCM 	C26H46N8O13S4	806.2067	NA	PeJP	NA	NA
+MJ095010	8-(Chloromethyl)-3,6,7,8-tetrahydro-6-[[5-[[(7-methoxy-2-benzofuranyl)carbonyl]amino]-1H-indol-2-yl]carbonyl]-4-[[(4-methyl-1-piperazinyl)carbonyl]oxy]-2-(trifluoromethyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylic acid, Me ester 	C39H34ClF3N6O8	806.207874	NA	MeJP	NA	NA
+MJ095011	Phleichrome; 14,21-Diepimer, 14-O-(4-hydroxybenzoyl), 21-O-(4-hydroxyphenoxycarbonyl) 	C44H38O15	806.22107	NA	MeJP	NA	NA
+MJ095012	Phleichrome; 14,21-Diepimer, 14-O-(4-hydroxyphenoxycarbonyl), 21-O-(4-hydroxybenzoyl) 	C44H38O15	806.22107	NA	MeJP	NA	NA
+PJ039961	GCCCQMY 	C30H46N8O10S4	806.222	NA	PeJP	NA	NA
+MJ095013	Antibiotic U 77802; 3'''-De-Me 	C33H46N2O17S2	806.223789	NA	MeJP	NA	NA
+PJ039962	CCCNNNH 	C27H42N12O11S3	806.2258	NA	PeJP	NA	NA
+PJ039963	GGCCCNNH 	C27H42N12O11S3	806.2259	NA	PeJP	NA	NA
+PJ039964	SCCNDEH 	C28H42N10O14S2	806.2324	NA	PeJP	NA	NA
+PJ039965	GCCCCRY 	C29H46N10O9S4	806.2332	NA	PeJP	NA	NA
+PJ039966	GGPCCCMH 	C29H46N10O9S4	806.2333	NA	PeJP	NA	NA
+MJ095014	Iditol, Hexabenzoyl 	C48H38O12	806.236326	NA	MeJP	NA	NA
+PJ039967	PCNDDDE 	C29H42N8O17S	806.2389	NA	PeJP	NA	NA
+PJ039968	SSCCNMY 	C30H46N8O12S3	806.2398	NA	PeJP	NA	NA
+PJ039969	CDDEYY 	C34H42N6O15S	806.2429	NA	PeJP	NA	NA
+PJ039970	CEMMMY 	C32H50N6O10S4	806.2472	NA	PeJP	NA	NA
+PJ039971	GSCCDHW 	C32H42N10O11S2	806.2476	NA	PeJP	NA	NA
+PJ039972	GSSSCDDH 	C28H42N10O16S	806.2501	NA	PeJP	NA	NA
+PJ039973	GCNDMMH 	C29H46N10O11S3	806.251	NA	PeJP	NA	NA
+PJ039974	GPCDDDW 	C33H42N8O14S	806.2542	NA	PeJP	NA	NA
+PJ039975	GCCCQFF 	C34H46N8O9S3	806.255	NA	PeJP	NA	NA
+PJ039976	GNDDEEE 	C29H42N8O19	806.2567	NA	PeJP	NA	NA
+PJ039977	GSSSTCCY 	C30H46N8O14S2	806.2575	NA	PeJP	NA	NA
+PJ039978	GCCCKMY 	C31H50N8O9S4	806.2584	NA	PeJP	NA	NA
+PJ039979	CNNNNND 	C27H42N12O15S	806.2614	NA	PeJP	NA	NA
+PJ039980	CDEMFY 	C35H46N6O12S2	806.2615	NA	PeJP	NA	NA
+PJ039981	GCCCEHR 	C28H46N12O10S3	806.2622	NA	PeJP	NA	NA
+PJ039982	GCNDDHF 	C32H42N10O13S	806.2654	NA	PeJP	NA	NA
+PJ039983	CCQMHW 	C33H46N10O8S3	806.2663	NA	PeJP	NA	NA
+PJ039984	GDDDDDR 	C28H42N10O18	806.2679	NA	PeJP	NA	NA
+PJ039985	STCCQEH 	C29H46N10O13S2	806.2687	NA	PeJP	NA	NA
+PJ039986	SSCNEMH 	C29H46N10O13S2	806.2688	NA	PeJP	NA	NA
+PJ039987	GCCNHHH 	C30H42N14O9S2	806.2701	NA	PeJP	NA	NA
+PJ039988	NDDEEW 	C33H42N8O16	806.2719	NA	PeJP	NA	NA
+PJ039989	SPPCCDW 	C34H46N8O11S2	806.2728	NA	PeJP	NA	NA
+MJ095015	5-Methyl-5,6,7,8-tetrahydromethanopterin 	C31H47N6O17P	806.27353	NA	MeJP	NA	NA
+PJ039990	SSSSSSCY 	C30H46N8O16S	806.2753	NA	PeJP	NA	NA
+PJ039991	STCCCKY 	C31H50N8O11S3	806.2761	NA	PeJP	NA	NA
+PJ039992	EEMMMH 	C31H50N8O11S3	806.2762	NA	PeJP	NA	NA
+PJ039993	CCCHRW 	C32H46N12O7S3	806.2775	NA	PeJP	NA	NA
+PJ039994	SDEMYY 	C35H46N6O14S	806.2793	NA	PeJP	NA	NA
+PJ039995	SSCCDHR 	C28H46N12O12S2	806.28	NA	PeJP	NA	NA
+PJ039996	PCMMYY 	C36H50N6O9S3	806.2802	NA	PeJP	NA	NA
+PJ039997	GSNNDDW 	C32H42N10O15	806.2831	NA	PeJP	NA	NA
+PJ039998	GGGSNDDW 	C32H42N10O15	806.2832	NA	PeJP	NA	NA
+PJ039999	TMMMMY 	C33H54N6O9S4	806.2835	NA	PeJP	NA	NA
+PJ040000	GSSCMHW 	C33H46N10O10S2	806.284	NA	PeJP	NA	NA
+PJ040001	SPCDDDR 	C29H46N10O15S	806.2865	NA	PeJP	NA	NA
+PJ040002	GDDEWW 	C37H42N8O13	806.2872	NA	PeJP	NA	NA
+PJ040003	PPCCCER 	C30H50N10O10S3	806.2874	NA	PeJP	NA	NA
+PJ040004	GSPDDMW 	C34H46N8O13S	806.2905	NA	PeJP	NA	NA
+PJ040005	APPCCMW 	C35H50N8O8S3	806.2914	NA	PeJP	NA	NA
+PJ040006	GSQEEEE 	C30H46N8O18	806.293	NA	PeJP	NA	NA
+PJ040007	GGGTEEEE 	C30H46N8O18	806.2931	NA	PeJP	NA	NA
+PJ040008	GPNEEMM 	C31H50N8O13S2	806.2939	NA	PeJP	NA	NA
+PJ040009	PCDFYY 	C39H46N6O11S	806.2946	NA	PeJP	NA	NA
+PJ040010	DMMHHH 	C32H46N12O9S2	806.2952	NA	PeJP	NA	NA
+PJ040011	PPCCNHH 	C32H46N12O9S2	806.2953	NA	PeJP	NA	NA
+PJ040012	GCNNDER 	C28H46N12O14S	806.2977	NA	PeJP	NA	NA
+PJ040013	GGGCNDER 	C28H46N12O14S	806.2978	NA	PeJP	NA	NA
+PJ040014	AEMMYY 	C36H50N6O11S2	806.2979	NA	PeJP	NA	NA
+PJ040015	GTCCMHR 	C29H50N12O9S3	806.2986	NA	PeJP	NA	NA
+MJ095016	Buddlenol E; 5',5''-Dimethoxy, 4''-O-?-D-glucopyranoside 	C39H50O18	806.299714	NA	MeJP	NA	NA
+MJ095017	Buddlenol E; 5',5''-Dimethoxy, 4'-O-?-D-glucopyranoside 	C39H50O18	806.299714	NA	MeJP	NA	NA
+PJ040016	SSSTCHW 	C33H46N10O12S	806.3018	NA	PeJP	NA	NA
+PJ040017	DDWWW 	C41H42N8O10	806.3024	NA	PeJP	NA	NA
+PJ040018	CCKMHW 	C34H50N10O7S3	806.3026	NA	PeJP	NA	NA
+PJ040019	GSDDEER 	C29H46N10O17	806.3043	NA	PeJP	NA	NA
+PJ040020	GPCDEMR 	C30H50N10O12S2	806.3051	NA	PeJP	NA	NA
+PJ040021	GGGGSPNMM 	C30H50N10O12S2	806.3052	NA	PeJP	NA	NA
+PJ040022	GNNNDHH 	C30H42N14O13	806.3056	NA	PeJP	NA	NA
+PJ040023	SPCEWW 	C38H46N8O10S	806.3058	NA	PeJP	NA	NA
+MJ095018	Tawicyclamide A 	C39H50N8O5S3	806.306628	NA	MeJP	NA	NA
+PJ040024	SQEEEW 	C34H46N8O15	806.3083	NA	PeJP	NA	NA
+PJ040025	PNEMMW 	C35H50N8O10S2	806.3092	NA	PeJP	NA	NA
+PJ040026	DDHHHF 	C35H42N12O11	806.3096	NA	PeJP	NA	NA
+PJ040027	AAQEEEM 	C31H50N8O15S	806.3117	NA	PeJP	NA	NA
+PJ040028	SPDYYY 	C39H46N6O13	806.3123	NA	PeJP	NA	NA
+PJ040029	SPPNMMM 	C32H54N8O10S3	806.3125	NA	PeJP	NA	NA
+PJ040030	CNNDRW 	C32H46N12O11S	806.313	NA	PeJP	NA	NA
+PJ040031	PCMFFY 	C40H50N6O8S2	806.3132	NA	PeJP	NA	NA
+PJ040032	CHHHHH 	C33H42N16O7S	806.3144	NA	PeJP	NA	NA
+PJ040033	SSNNDDR 	C28H46N12O16	806.3155	NA	PeJP	NA	NA
+PJ040034	TTEMYY 	C36H50N6O13S	806.3157	NA	PeJP	NA	NA
+PJ040035	SSSCMHR 	C29H50N12O11S2	806.3164	NA	PeJP	NA	NA
+PJ040036	CLMMFY 	C37H54N6O8S3	806.3166	NA	PeJP	NA	NA
+PJ040037	GNNMWW 	C37H46N10O9S	806.317	NA	PeJP	NA	NA
+PJ040038	SDDERW 	C33H46N10O14	806.3195	NA	PeJP	NA	NA
+PJ040039	GGGGGGAPDY 	C33H46N10O14	806.3196	NA	PeJP	NA	NA
+PJ040040	PCDMRW 	C34H50N10O9S2	806.3204	NA	PeJP	NA	NA
+PJ040041	NEEEMR 	C30H50N10O14S	806.3229	NA	PeJP	NA	NA
+PJ040042	GNQYYY 	C38H46N8O12	806.3235	NA	PeJP	NA	NA
+PJ040043	GTEEWW 	C38H46N8O12	806.3236	NA	PeJP	NA	NA
+PJ040044	PPTCCMR 	C31H54N10O9S3	806.3238	NA	PeJP	NA	NA
+PJ040045	GPMMWW 	C39H50N8O7S2	806.3244	NA	PeJP	NA	NA
+PJ040046	VNEEMW 	C35H50N8O12S	806.3269	NA	PeJP	NA	NA
+PJ040047	EFYYW 	C43H46N6O10	806.3276	NA	PeJP	NA	NA
+PJ040048	PCQHHW 	C36H46N12O8S	806.3283	NA	PeJP	NA	NA
+PJ040049	GSKEEEE 	C31H50N8O17	806.3294	NA	PeJP	NA	NA
+PJ040050	GPDKEMM 	C32H54N8O12S2	806.3303	NA	PeJP	NA	NA
+PJ040051	GNNNNQF 	C32H46N12O13	806.3308	NA	PeJP	NA	NA
+PJ040052	APMYYY 	C40H50N6O10S	806.3309	NA	PeJP	NA	NA
+PJ040053	CNMHFR 	C33H50N12O8S2	806.3316	NA	PeJP	NA	NA
+PJ040054	DDDMRR 	C29H50N12O13S	806.3341	NA	PeJP	NA	NA
+PJ040055	GGGGGSEMR 	C29H50N12O13S	806.3342	NA	PeJP	NA	NA
+PJ040056	SLMMYY 	C37H54N6O10S2	806.3343	NA	PeJP	NA	NA
+PJ040057	SSNQWW 	C37H46N10O11	806.3348	NA	PeJP	NA	NA
+PJ040058	SQQQMW 	C34H50N10O11S	806.3381	NA	PeJP	NA	NA
+PJ040059	GEEMRW 	C34H50N10O11S	806.3382	NA	PeJP	NA	NA
+PJ040060	TEWWW 	C42H46N8O9	806.3388	NA	PeJP	NA	NA
+PJ040061	SSSSTTTH 	C30H50N10O16	806.3406	NA	PeJP	NA	NA
+PJ040062	GSTEEER 	C30H50N10O16	806.3407	NA	PeJP	NA	NA
+PJ040063	GSPEMMR 	C31H54N10O11S2	806.3415	NA	PeJP	NA	NA
+PJ040064	GGGGGGALMM 	C31H54N10O11S2	806.3416	NA	PeJP	NA	NA
+PJ040065	NDEHHR 	C31H46N14O12	806.342	NA	PeJP	NA	NA
+PJ040066	GVEMWW 	C39H50N8O9S	806.3422	NA	PeJP	NA	NA
+PJ040067	SKEEEW 	C35H50N8O14	806.3447	NA	PeJP	NA	NA
+PJ040068	GSCNDRR 	C28H50N14O12S	806.3454	NA	PeJP	NA	NA
+PJ040069	AAPTMMW 	C36H54N8O9S2	806.3455	NA	PeJP	NA	NA
+PJ040070	PDKMMW 	C36H54N8O9S2	806.3456	NA	PeJP	NA	NA
+PJ040071	AQEHHW 	C36H46N12O10	806.346	NA	PeJP	NA	NA
+PJ040072	PCFFFF 	C44H50N6O7S	806.3462	NA	PeJP	NA	NA
+PJ040073	SSPKEEM 	C32H54N8O14S	806.348	NA	PeJP	NA	NA
+PJ040074	AAKEEEM 	C32H54N8O14S	806.3481	NA	PeJP	NA	NA
+PJ040075	GLEYYY 	C40H50N6O12	806.3487	NA	PeJP	NA	NA
+PJ040076	GPLQMMM 	C33H58N8O9S3	806.3489	NA	PeJP	NA	NA
+PJ040077	SNNMRW 	C33H50N12O10S	806.3494	NA	PeJP	NA	NA
+PJ040078	CLMFFF 	C41H54N6O7S2	806.3496	NA	PeJP	NA	NA
+PJ040079	GNHFFW 	C41H46N10O8	806.35	NA	PeJP	NA	NA
+PJ040080	GGGHFFW 	C41H46N10O8	806.3501	NA	PeJP	NA	NA
+PJ040081	SSSNQER 	C29H50N12O15	806.3519	NA	PeJP	NA	NA
+PJ040082	NQQMMR 	C30H54N12O10S2	806.3528	NA	PeJP	NA	NA
+PJ040083	EMRWW 	C38H50N10O8S	806.3534	NA	PeJP	NA	NA
+PJ040084	STEERW 	C34H50N10O13	806.3559	NA	PeJP	NA	NA
+PJ040085	SPMMRW 	C35H54N10O8S2	806.3568	NA	PeJP	NA	NA
+PJ040086	GDHHRW 	C35H46N14O9	806.3573	NA	PeJP	NA	NA
+PJ040087	VMWWW 	C43H50N8O6S	806.3574	NA	PeJP	NA	NA
+PJ040088	DKEEMR 	C31H54N10O13S	806.3593	NA	PeJP	NA	NA
+PJ040089	SSLEWW 	C39H50N8O11	806.3599	NA	PeJP	NA	NA
+PJ040090	GGGPPEFF 	C39H50N8O11	806.36	NA	PeJP	NA	NA
+PJ040091	AAPMMMR 	C32H58N10O8S3	806.3602	NA	PeJP	NA	NA
+PJ040092	GPTCHHR 	C32H50N14O9S	806.3606	NA	PeJP	NA	NA
+PJ040093	AAHHWW 	C40H46N12O7	806.3613	NA	PeJP	NA	NA
+PJ040094	VDKEMW 	C36H54N8O11S	806.3633	NA	PeJP	NA	NA
+PJ040095	LYYYW 	C44H50N6O9	806.3639	NA	PeJP	NA	NA
+PJ040096	CNQMRR 	C29H54N14O9S2	806.364	NA	PeJP	NA	NA
+PJ040097	PCKHHW 	C37H50N12O7S	806.3647	NA	PeJP	NA	NA
+MJ095019	Muracein B 	C32H54N8O16	806.365777	NA	MeJP	NA	NA
+PJ040098	ATTKEEE 	C32H54N8O16	806.3658	NA	PeJP	NA	NA
+MJ095020	4-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, pentabenzyl 	C48H54O11	806.366612	NA	MeJP	NA	NA
+PJ040099	APTKEMM 	C33H58N8O11S2	806.3667	NA	PeJP	NA	NA
+PJ040100	GSSSQRW 	C33H50N12O12	806.3671	NA	PeJP	NA	NA
+PJ040101	GGGSSTRW 	C33H50N12O12	806.3672	NA	PeJP	NA	NA
+PJ040102	ALMFYY 	C41H54N6O9S	806.3673	NA	PeJP	NA	NA
+PJ040103	SEEMRR 	C30H54N12O12S	806.3705	NA	PeJP	NA	NA
+PJ040104	SSNKWW 	C38H50N10O10	806.3712	NA	PeJP	NA	NA
+MJ095021	Hispidin A; 15-Deacyl, 15-(2-methylbutanoyl) 	C41H58O16	806.372485	NA	MeJP	NA	NA
+PJ040105	SVEMRW 	C35H54N10O10S	806.3745	NA	PeJP	NA	NA
+PJ040106	GGGATKMW 	C35H54N10O10S	806.3746	NA	PeJP	NA	NA
+PJ040107	GPVYWW 	C43H50N8O8	806.3752	NA	PeJP	NA	NA
+PJ040108	SSSLEER 	C31H54N10O15	806.377	NA	PeJP	NA	NA
+PJ040109	GGSSDKKE 	C31H54N10O15	806.3771	NA	PeJP	NA	NA
+PJ040110	LQEMMR 	C32H58N10O10S2	806.3779	NA	PeJP	NA	NA
+PJ040111	TQEHHR 	C32H50N14O11	806.3784	NA	PeJP	NA	NA
+PJ040112	ATLMWW 	C40H54N8O8S	806.3786	NA	PeJP	NA	NA
+PJ040113	GTTTLEW 	C36H54N8O13	806.3811	NA	PeJP	NA	NA
+PJ040114	ASSCQRR 	C29H54N14O11S	806.3817	NA	PeJP	NA	NA
+PJ040115	GSSNMRR 	C29H54N14O11S	806.3818	NA	PeJP	NA	NA
+PJ040116	VLQMMW 	C37H58N8O8S2	806.3819	NA	PeJP	NA	NA
+PJ040117	GNQFRW 	C37H50N12O9	806.3824	NA	PeJP	NA	NA
+PJ040118	GTLKEEM 	C33H58N8O13S	806.3844	NA	PeJP	NA	NA
+PJ040119	SVLYYY 	C41H54N6O11	806.3851	NA	PeJP	NA	NA
+PJ040120	GPLKMMM 	C34H62N8O8S3	806.3853	NA	PeJP	NA	NA
+PJ040121	SCQKRW 	C34H54N12O9S	806.3858	NA	PeJP	NA	NA
+PJ040122	PRYWW 	C42H50N10O7	806.3864	NA	PeJP	NA	NA
+PJ040123	SSSNKER 	C30H54N12O14	806.3883	NA	PeJP	NA	NA
+PJ040124	NQKMMR 	C31H58N12O9S2	806.3891	NA	PeJP	NA	NA
+PJ040125	VDMMRR 	C31H58N12O9S2	806.3892	NA	PeJP	NA	NA
+PJ040126	SDHHRR 	C31H50N16O10	806.3896	NA	PeJP	NA	NA
+PJ040127	GCKKWW 	C39H54N10O7S	806.3898	NA	PeJP	NA	NA
+PJ040128	GSSDKKW 	C35H54N10O12	806.3923	NA	PeJP	NA	NA
+PJ040129	ALMMRW 	C36H58N10O7S2	806.3932	NA	PeJP	NA	NA
+PJ040130	ATHHRW 	C36H50N14O8	806.3936	NA	PeJP	NA	NA
+PJ040131	GGPHHFR 	C36H50N14O8	806.3937	NA	PeJP	NA	NA
+PJ040132	GTTLEMR 	C32H58N10O12S	806.3957	NA	PeJP	NA	NA
+PJ040133	TTTLWW 	C40H54N8O10	806.3963	NA	PeJP	NA	NA
+PJ040134	VQMHHR 	C33H54N14O8S	806.397	NA	PeJP	NA	NA
+PJ040135	SSSSQRR 	C29H54N14O13	806.3995	NA	PeJP	NA	NA
+PJ040136	TLKEMW 	C37H58N8O10S	806.3997	NA	PeJP	NA	NA
+PJ040137	ALFFFY 	C45H54N6O8	806.4003	NA	PeJP	NA	NA
+PJ040138	CNKMRR 	C30H58N14O8S2	806.4004	NA	PeJP	NA	NA
+PJ040139	STTLKEE 	C33H58N8O15	806.4022	NA	PeJP	NA	NA
+MJ095022	Ergophilone B 	C49H58O10	806.402998	NA	MeJP	NA	NA
+PJ040140	GVLKEMM 	C34H62N8O10S2	806.4031	NA	PeJP	NA	NA
+PJ040141	GSSSKRW 	C34H54N12O11	806.4035	NA	PeJP	NA	NA
+PJ040142	GGGGGALRY 	C34H54N12O11	806.4036	NA	PeJP	NA	NA
+3333	human beta-casein fr, 55-61	TQSLVYP	806.404	celiac toxic	Inhouse_peptide	NA	peptide
+PJ040143	GSTQKMR 	C31H58N12O11S	806.4069	NA	PeJP	NA	NA
+PJ040144	AQQKFW 	C39H54N10O9	806.4075	NA	PeJP	NA	NA
+PJ040145	SPVRYW 	C39H54N10O9	806.4076	NA	PeJP	NA	NA
+PJ040146	AMHHRR 	C32H54N16O7S	806.4082	NA	PeJP	NA	NA
+MJ095023	3-Hydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C42H62O15	806.408871	NA	MeJP	NA	NA
+MJ095024	3-Hydroxy-11,13(18)-oleanadien-30-oic acid, 3-O-[?-D-Glucuronopyranosyl(1?2)-?-D-glucuronate] 	C42H62O15	806.408871	NA	MeJP	NA	NA
+PJ040147	TTLMRW 	C36H58N10O9S	806.4109	NA	PeJP	NA	NA
+PJ040148	GVLFWW 	C44H54N8O7	806.4116	NA	PeJP	NA	NA
+PJ040149	STTTLER 	C32H58N10O14	806.4134	NA	PeJP	NA	NA
+PJ040150	LKEMMR 	C33H62N10O9S2	806.4143	NA	PeJP	NA	NA
+PJ040151	GQQRRY 	C33H54N14O10	806.4148	NA	PeJP	NA	NA
+PJ040152	PVKMFW 	C41H58N8O7S	806.415	NA	PeJP	NA	NA
+PJ040153	SSTTLLW 	C37H58N8O12	806.4174	NA	PeJP	NA	NA
+PJ040154	GVVLQEY 	C37H58N8O12	806.4175	NA	PeJP	NA	NA
+PJ040155	GSTCKRR 	C30H58N14O10S	806.4181	NA	PeJP	NA	NA
+PJ040156	VLKMMW 	C38H62N8O7S2	806.4183	NA	PeJP	NA	NA
+PJ040157	GNKFRW 	C38H54N12O8	806.4188	NA	PeJP	NA	NA
+PJ040158	SSLLKEM 	C34H62N8O12S	806.4208	NA	PeJP	NA	NA
+PJ040159	SCKKRW 	C35H58N12O8S	806.4222	NA	PeJP	NA	NA
+PJ040160	LFRWW 	C43H54N10O6	806.4228	NA	PeJP	NA	NA
+PJ040161	SSTTQKR 	C31H58N12O13	806.4246	NA	PeJP	NA	NA
+PJ040162	SSSDKKR 	C31H58N12O13	806.4247	NA	PeJP	NA	NA
+MJ095025	Vingramine; N1-Me 	C47H58N4O8	806.425464	NA	MeJP	NA	NA
+PJ040163	TLMMRR 	C32H62N12O8S2	806.4255	NA	PeJP	NA	NA
+PJ040164	TTHHRR 	C32H54N16O9	806.426	NA	PeJP	NA	NA
+PJ040165	GSTTKKW 	C36H58N10O11	806.4287	NA	PeJP	NA	NA
+PJ040166	SSTLLMR 	C33H62N10O11S	806.432	NA	PeJP	NA	NA
+PJ040167	GSKKKEM 	C33H62N10O11S	806.4321	NA	PeJP	NA	NA
+PJ040168	PTLKYW 	C41H58N8O9	806.4327	NA	PeJP	NA	NA
+PJ040169	VKMHHR 	C34H58N14O7S	806.4334	NA	PeJP	NA	NA
+PJ040170	SSSSKRR 	C30H58N14O12	806.4359	NA	PeJP	NA	NA
+PJ040171	GPVLKMY 	C38H62N8O9S	806.4361	NA	PeJP	NA	NA
+PJ040172	SSSSTLLL 	C34H62N8O14	806.4386	NA	PeJP	NA	NA
+PJ040173	SVVLKMM 	C35H66N8O9S2	806.4394	NA	PeJP	NA	NA
+PJ040174	ATLLKMM 	C35H66N8O9S2	806.4395	NA	PeJP	NA	NA
+PJ040175	ALERRY 	C35H58N12O10	806.4399	NA	PeJP	NA	NA
+PJ040176	GSTKKMR 	C32H62N12O10S	806.4433	NA	PeJP	NA	NA
+PJ040177	GLLRYW 	C40H58N10O8	806.4439	NA	PeJP	NA	NA
+PJ040178	GAAKKFW 	C40H58N10O8	806.444	NA	PeJP	NA	NA
+MJ095026	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside, 16-Ac 	C43H66O14	806.445256	NA	MeJP	NA	NA
+MJ095027	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside, 22-Ac 	C43H66O14	806.445256	NA	MeJP	NA	NA
+MJ095028	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-?-D-glucuronopyranoside, 28-Ac 	C43H66O14	806.445256	NA	MeJP	NA	NA
+MJ095029	Digoxin; 12-Deoxy, 3'''-Ac 	C43H66O14	806.445256	NA	MeJP	NA	NA
+MJ095030	Digoxin; 12-Deoxy, 4'''-Ac 	C43H66O14	806.445256	NA	MeJP	NA	NA
+C08947	Gymnemic acid I	C43H66O14	806.4453	NA	KEGG	NA	NA
+PJ040179	SKKKMW 	C37H62N10O8S	806.4473	NA	PeJP	NA	NA
+PJ040180	SSTKKKE 	C33H62N10O13	806.4498	NA	PeJP	NA	NA
+PJ040181	AAKKKMM 	C34H66N10O8S2	806.4507	NA	PeJP	NA	NA
+PJ040182	GQKRRY 	C34H58N14O9	806.4512	NA	PeJP	NA	NA
+PJ040183	AALLKEY 	C38H62N8O11	806.4538	NA	PeJP	NA	NA
+PJ040184	AAPPPLLE 	C38H62N8O11	806.4539	NA	PeJP	NA	NA
+PJ040185	PVLHRW 	C39H58N12O7	806.4552	NA	PeJP	NA	NA
+PJ040186	TTTLLKM 	C35H66N8O11S	806.4572	NA	PeJP	NA	NA
+PJ040187	VVMFRR 	C36H62N12O7S	806.4586	NA	PeJP	NA	NA
+MJ095031	Sorangicin A 	C47H66O11	806.460512	NA	MeJP	NA	NA
+PJ040188	SSTTKKR 	C32H62N12O12	806.461	NA	PeJP	NA	NA
+PJ040189	PNKHRR 	C33H58N16O8	806.4624	NA	PeJP	NA	NA
+PJ040190	VLKERY 	C37H62N10O10	806.4651	NA	PeJP	NA	NA
+PJ040191	ATTKKKM 	C34H66N10O10S	806.4684	NA	PeJP	NA	NA
+MJ095032	Axinastatin 4 	C42H62N8O8	806.469061	NA	MeJP	NA	NA
+PJ040192	VVLKYW 	C42H62N8O8	806.4691	NA	PeJP	NA	NA
+PJ040193	GVLLKMF 	C39H66N8O8S	806.4725	NA	PeJP	NA	NA
+PJ040194	SLLRRY 	C36H62N12O9	806.4763	NA	PeJP	NA	NA
+PJ040195	AKKKFW 	C41H62N10O7	806.4803	NA	PeJP	NA	NA
+PJ040196	LLKMFR 	C38H66N10O7S	806.4837	NA	PeJP	NA	NA
+PJ040197	TTTTKKK 	C34H66N10O12	806.4862	NA	PeJP	NA	NA
+PJ040198	GKKRRY 	C35H62N14O8	806.4875	NA	PeJP	NA	NA
+PJ040199	GTLLLKY 	C39H66N8O10	806.4902	NA	PeJP	NA	NA
+HMDB09780	PI(16:0/16:2(9Z,12Z))	C41H75O13P	806.494507	NA	HMDB2010	NA	NA
+HMDB09798	PI(16:1(9Z)/16:1(9Z))	C41H75O13P	806.494507	NA	HMDB2010	NA	NA
+HMDB09802	PI(16:2(9Z,12Z)/16:0)	C41H75O13P	806.494507	NA	HMDB2010	NA	NA
+PJ040200	LQKKKY 	C38H66N10O9	806.5015	NA	PeJP	NA	NA
+MJ095033	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-mannitol-1-yl ester 	C41H74O15	806.502771	NA	MeJP	NA	NA
+MJ095034	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-mannitol-2-yl ester 	C41H74O15	806.502771	NA	MeJP	NA	NA
+MJ095035	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-?-D-Mannopyranoside, D-mannitol-3-yl ester 	C41H74O15	806.502771	NA	MeJP	NA	NA
+PJ040201	TKKKFR 	C37H66N12O8	806.5127	NA	PeJP	NA	NA
+MJ095036	Macrotetrolide C 	C45H74O12	806.518027	NA	MeJP	NA	NA
+MJ095037	Oligomycin A; 21?-Hydroxy 	C45H74O12	806.518027	NA	MeJP	NA	NA
+PJ040202	LLLHRR 	C36H66N14O7	806.5239	NA	PeJP	NA	NA
+PJ040203	AAPPLLLL 	C40H70N8O9	806.5266	NA	PeJP	NA	NA
+PJ040204	LKKKKY 	C39H70N10O8	806.5378	NA	PeJP	NA	NA
+EUR1105	SM(d18:1/22:1) [M+Na]+	C45H89N2O6P	806.627772	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1105	SM(d18:1/22:1) [M+Na]+	C45H89N2O6P	806.627772	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1105	SM(d18:1/22:1) [M+Na]+	C45H89N2O6P	806.627772	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1105	SM(d18:1/22:1) [M+Na]+	C45H89N2O6P	806.627772	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1052	SM(d18:0/20:0) [M+FA-H]-	C43H89N2O6P	806.650706	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1052	SM(d18:0/20:0) [M+FA-H]-	C43H89N2O6P	806.650706	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1052	SM(d18:0/20:0) [M+FA-H]-	C43H89N2O6P	806.650706	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1052	SM(d18:0/20:0) [M+FA-H]-	C43H89N2O6P	806.650706	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095038	1,2-Diphytanylglyceryl-3-phosphorylglycerol 	C46H95O8P	806.676456	NA	MeJP	NA	NA
+MJ095039	20(29)-Lupen-3-ol, 3-Acetoxydocosanoyl 	C54H94O4	806.715211	NA	MeJP	NA	NA
+MJ095040	3-Hydroxy-12-ursen-28-oic acid, 3-O-Tetracosanoyl 	C54H94O4	806.715211	NA	MeJP	NA	NA
+HMDB05356	TG(16:0/16:0/16:0)[iso]	C51H98O6	806.736328	NA	HMDB2010	NA	NA
+HMDB10413	TG(16:0/14:0/18:0)[iso6]	C51H98O6	806.736328	NA	HMDB2010	NA	NA
+HMDB05356	Tripalmitin	C51H98O6	806.73633	http://www.hmdb.ca/metabolites/HMDB05356	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05356	Tripalmitin	C51H98O6	806.73633	http://www.hmdb.ca/metabolites/HMDB05356	HMDB	NA	NA
+HMDB05356	Tripalmitin	C51H98O6	806.73633	http://www.hmdb.ca/metabolites/HMDB05356	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05356	Tripalmitin	C51H98O6	806.73633	HMDB05356	PFEM_hmdb_metabocards_official	NA	NA
+MJ095041	Glycerol trihexadecanoate 	C51H98O6	806.73634	NA	MeJP	NA	NA
+MJ095042	Ioglucol 	C18H24I3N3O9	806.864659	NA	MeJP	NA	NA
+MJ095043	Ioglunide 	C18H24I3N3O9	806.864659	NA	MeJP	NA	NA
+MJ095044	Ioversol 	C18H24I3N3O9	806.864659	NA	MeJP	NA	NA
+8100	peptide derived from oyster (Crassostrea gigas)	LKQELEDLLEKQE	806.91745	MH2+	Inhouse_peptide	NA	peptide
+3915	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGL~	806.9854	MH2+	Inhouse_peptide	NA	peptide
+3923	aurein 2,1	GLLDIVKKVVGAFGSL~	806.9854	MH2+	Inhouse_peptide	NA	peptide
+3925	aurein 2,2	GLFDIVKKVVGALGSL~	806.9854	MH2+	Inhouse_peptide	NA	peptide
+3927	aurein 2,3,	GLFDIVKKVVGAIGSL~	806.9854	MH2+	Inhouse_peptide	NA	peptide
+4015	Citropin 1,1	GLFDVIKKVASVIGGL~	806.9854	MH2+	Inhouse_peptide	NA	peptide
+3910	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGL~	806.98545	MH2+	Inhouse_peptide	NA	peptide
+PJ040205	GCCCCCCN 	C24H41N9O10S6	807.1301	NA	PeJP	NA	NA
+PJ040206	CCCCDMM 	C26H45N7O10S6	807.1552	NA	PeJP	NA	NA
+MJ095045	UDP-N-acetylmuramoyl-L-alanine 	C25H39N5O21P2	807.161276	NA	MeJP	NA	NA
+PJ040207	CCCCDDF 	C29H41N7O12S4	807.1696	NA	PeJP	NA	NA
+PJ040208	CCCCCHH 	C27H41N11O8S5	807.1743	NA	PeJP	NA	NA
+PJ040209	SCCCDDY 	C29H41N7O14S3	807.1874	NA	PeJP	NA	NA
+PJ040210	SCCCMMM 	C27H49N7O9S6	807.1916	NA	PeJP	NA	NA
+PJ040211	GCCCEMY 	C30H45N7O11S4	807.206	NA	PeJP	NA	NA
+PJ040212	CCCNNDH 	C27H41N11O12S3	807.2099	NA	PeJP	NA	NA
+PJ040213	SCCDDEH 	C28H41N9O15S2	807.2164	NA	PeJP	NA	NA
+PJ040214	PCCCDMH 	C29H45N9O10S4	807.2173	NA	PeJP	NA	NA
+PJ040215	CCCMYW 	C34H45N7O8S4	807.2213	NA	PeJP	NA	NA
+PJ040216	PCDDDDE 	C29H41N7O18S	807.2229	NA	PeJP	NA	NA
+PJ040217	SSCCDMY 	C30H45N7O13S3	807.2238	NA	PeJP	NA	NA
+PJ040218	VCCCCMF 	C31H49N7O8S5	807.2246	NA	PeJP	NA	NA
+PJ040219	ACCCMMF 	C31H49N7O8S5	807.2247	NA	PeJP	NA	NA
+PJ040220	GCDDMMH 	C29H45N9O12S3	807.235	NA	PeJP	NA	NA
+PJ040221	GPCCCYY 	C34H45N7O10S3	807.239	NA	PeJP	NA	NA
+PJ040222	GDDDEEE 	C29H41N7O20	807.2407	NA	PeJP	NA	NA
+PJ040223	GTCCMMY 	C31H49N7O10S4	807.2424	NA	PeJP	NA	NA
+PJ040224	CNNNNDD 	C27H41N11O16S	807.2454	NA	PeJP	NA	NA
+PJ040225	SCCNNMH 	C28H45N11O11S3	807.2462	NA	PeJP	NA	NA
+PJ040226	GGSCCNMH 	C28H45N11O11S3	807.2463	NA	PeJP	NA	NA
+PJ040227	GCDDDHF 	C32H41N9O14S	807.2494	NA	PeJP	NA	NA
+PJ040228	CCEMHW 	C33H45N9O9S3	807.2503	NA	PeJP	NA	NA
+PJ040229	SNNDDDE 	C28H41N9O19	807.2519	NA	PeJP	NA	NA
+PJ040230	SSCDEMH 	C29H45N9O14S2	807.2528	NA	PeJP	NA	NA
+PJ040231	SPCCMMH 	C30H49N9O9S4	807.2536	NA	PeJP	NA	NA
+PJ040232	GCCDHHH 	C30H41N13O10S2	807.2541	NA	PeJP	NA	NA
+PJ040233	CCCFFW 	C38H45N7O7S3	807.2543	NA	PeJP	NA	NA
+PJ040234	DDDEEW 	C33H41N7O17	807.2559	NA	PeJP	NA	NA
+PJ040235	CNDMYY 	C34H45N7O12S2	807.2568	NA	PeJP	NA	NA
+PJ040236	SPDDDEM 	C30H45N7O17S	807.2593	NA	PeJP	NA	NA
+PJ040237	SSSCMMY 	C31H49N7O12S3	807.2601	NA	PeJP	NA	NA
+PJ040238	PPCDDMM 	C31H49N7O12S3	807.2602	NA	PeJP	NA	NA
+PJ040239	GSSSCCQH 	C28H45N11O13S2	807.264	NA	PeJP	NA	NA
+PJ040240	GSNDDDW 	C32H41N9O16	807.2672	NA	PeJP	NA	NA
+PJ040241	GPCCNEW 	C33H45N9O11S2	807.268	NA	PeJP	NA	NA
+PJ040242	GNNDEEM 	C29H45N9O16S	807.2705	NA	PeJP	NA	NA
+PJ040243	GGGGGDEEM 	C29H45N9O16S	807.2706	NA	PeJP	NA	NA
+PJ040244	GSDMMMH 	C30H49N9O11S3	807.2714	NA	PeJP	NA	NA
+PJ040245	ACCYYW 	C38H45N7O9S2	807.272	NA	PeJP	NA	NA
+PJ040246	GSSCEYY 	C34H45N7O14S	807.2745	NA	PeJP	NA	NA
+PJ040247	PPCDDDF 	C34H45N7O14S	807.2746	NA	PeJP	NA	NA
+PJ040248	CNMMFY 	C35H49N7O9S3	807.2754	NA	PeJP	NA	NA
+PJ040249	GSEEEEE 	C30H45N7O19	807.2771	NA	PeJP	NA	NA
+PJ040250	GPDEEMM 	C31H49N7O14S2	807.2779	NA	PeJP	NA	NA
+PJ040251	GCCNQHF 	C32H45N11O10S2	807.2793	NA	PeJP	NA	NA
+PJ040252	SCNNNQE 	C28H45N11O15S	807.2817	NA	PeJP	NA	NA
+PJ040253	GCNDDER 	C28H45N11O15S	807.2818	NA	PeJP	NA	NA
+PJ040254	SCCCQKH 	C29H49N11O10S3	807.2826	NA	PeJP	NA	NA
+PJ040255	PCCNWW 	C37H45N9O8S2	807.2833	NA	PeJP	NA	NA
+PJ040256	NNDEMW 	C33H45N9O13S	807.2858	NA	PeJP	NA	NA
+PJ040257	TCMMHW 	C34H49N9O8S3	807.2867	NA	PeJP	NA	NA
+PJ040258	SSNNEEE 	C29H45N9O18	807.2883	NA	PeJP	NA	NA
+PJ040259	SSSEMMH 	C30H49N9O13S2	807.2891	NA	PeJP	NA	NA
+PJ040260	SPNNDMM 	C30H49N9O13S2	807.2892	NA	PeJP	NA	NA
+PJ040261	GNNDDHH 	C30H41N13O14	807.2896	NA	PeJP	NA	NA
+PJ040262	GGGGGDDHH 	C30H41N13O14	807.2897	NA	PeJP	NA	NA
+PJ040263	SSCYYW 	C38H45N7O11S	807.2898	NA	PeJP	NA	NA
+PJ040264	QMMMMH 	C31H53N9O8S4	807.29	NA	PeJP	NA	NA
+PJ040265	GSCMHHH 	C31H45N13O9S2	807.2905	NA	PeJP	NA	NA
+PJ040266	SEEEEW 	C34H45N7O16	807.2923	NA	PeJP	NA	NA
+PJ040267	PDEMMW 	C35H49N7O11S2	807.2932	NA	PeJP	NA	NA
+MJ095046	Perdeacyleuojaponin; 9-(2-Acetoxy-2-methylpropanoyl), 1,6,8-tri-Ac 	C38H49NO18	807.294963	NA	MeJP	NA	NA
+PJ040268	AAEEEEM 	C31H49N7O16S	807.2957	NA	PeJP	NA	NA
+PJ040269	SPPDMMM 	C32H53N7O11S3	807.2965	NA	PeJP	NA	NA
+PJ040270	CNDDRW 	C32H45N11O12S	807.297	NA	PeJP	NA	NA
+PJ040271	SSNDDDR 	C28H45N11O17	807.2995	NA	PeJP	NA	NA
+PJ040272	SPCCNER 	C29H49N11O12S2	807.3004	NA	PeJP	NA	NA
+PJ040273	GNDMWW 	C37H45N9O10S	807.301	NA	PeJP	NA	NA
+PJ040274	GGGDMWW 	C37H45N9O10S	807.3011	NA	PeJP	NA	NA
+PJ040275	CMMMHR 	C30H53N11O7S4	807.3013	NA	PeJP	NA	NA
+PJ040276	GSSNEEW 	C33H45N9O15	807.3035	NA	PeJP	NA	NA
+PJ040277	GGGSSEEW 	C33H45N9O15	807.3036	NA	PeJP	NA	NA
+PJ040278	GSPCQMW 	C34H49N9O10S2	807.3044	NA	PeJP	NA	NA
+PJ040279	DEEEMR 	C30H49N9O15S	807.3069	NA	PeJP	NA	NA
+PJ040280	PDDEFW 	C38H45N7O13	807.3076	NA	PeJP	NA	NA
+PJ040281	GTTMMMH 	C31H53N9O10S3	807.3078	NA	PeJP	NA	NA
+PJ040282	SSTCHHH 	C31H45N13O11S	807.3082	NA	PeJP	NA	NA
+PJ040283	GGSPCNHH 	C31H45N13O11S	807.3083	NA	PeJP	NA	NA
+PJ040284	CNMFFF 	C39H49N7O8S2	807.3084	NA	PeJP	NA	NA
+PJ040285	VDEEMW 	C35H49N7O13S	807.3109	NA	PeJP	NA	NA
+PJ040286	GCNNNMR 	C28H49N13O11S2	807.3116	NA	PeJP	NA	NA
+PJ040287	GGGGGGGCMR 	C28H49N13O11S2	807.3117	NA	PeJP	NA	NA
+PJ040288	PCEHHW 	C36H45N11O9S	807.3123	NA	PeJP	NA	NA
+PJ040289	ATTEEEE 	C31H49N7O18	807.3134	NA	PeJP	NA	NA
+PJ040290	APTEEMM 	C32H53N7O13S2	807.3143	NA	PeJP	NA	NA
+PJ040291	SSSNNNW 	C32H45N11O14	807.3148	NA	PeJP	NA	NA
+PJ040292	APPMMMM 	C33H57N7O8S4	807.3152	NA	PeJP	NA	NA
+PJ040293	GCCNKHF 	C33H49N11O9S2	807.3156	NA	PeJP	NA	NA
+PJ040294	GSPCCRW 	C33H49N11O9S2	807.3157	NA	PeJP	NA	NA
+PJ040295	CQWWW 	C41H45N9O7S	807.3163	NA	PeJP	NA	NA
+PJ040296	ASNDDMR 	C29H49N11O14S	807.3181	NA	PeJP	NA	NA
+PJ040297	GSNDEMR 	C29H49N11O14S	807.3182	NA	PeJP	NA	NA
+PJ040298	SSNEWW 	C37H45N9O12	807.3188	NA	PeJP	NA	NA
+PJ040299	GPCNMMR 	C30H53N11O9S3	807.319	NA	PeJP	NA	NA
+PJ040300	GMMHFW 	C38H49N9O7S2	807.3197	NA	PeJP	NA	NA
+PJ040301	SQQEMW 	C34H49N9O12S	807.3222	NA	PeJP	NA	NA
+PJ040302	NYYYW 	C42H45N7O10	807.3228	NA	PeJP	NA	NA
+PJ040303	CQHHHF 	C35H45N13O8S	807.3235	NA	PeJP	NA	NA
+PJ040304	SSNDKEE 	C30H49N9O17	807.3247	NA	PeJP	NA	NA
+PJ040305	STTTMMH 	C31H53N9O12S2	807.3255	NA	PeJP	NA	NA
+PJ040306	GGGVQEMM 	C31H53N9O12S2	807.3256	NA	PeJP	NA	NA
+PJ040307	DDEHHR 	C31H45N13O13	807.326	NA	PeJP	NA	NA
+PJ040308	PPDMYW 	C39H49N7O10S	807.3262	NA	PeJP	NA	NA
+PJ040309	KMMMMH 	C32H57N9O7S4	807.3264	NA	PeJP	NA	NA
+PJ040310	SSSTTYY 	C35H49N7O15	807.3287	NA	PeJP	NA	NA
+PJ040311	GSCDDRR 	C28H49N13O13S	807.3294	NA	PeJP	NA	NA
+PJ040312	TCKMYY 	C36H53N7O10S2	807.3296	NA	PeJP	NA	NA
+PJ040313	NNNNFW 	C36H45N11O11	807.33	NA	PeJP	NA	NA
+PJ040314	GGGGGGNFW 	C36H45N11O11	807.3301	NA	PeJP	NA	NA
+PJ040315	APCCCRR 	C29H53N13O8S3	807.3303	NA	PeJP	NA	NA
+PJ040316	GTLEEEM 	C32H53N7O15S	807.3321	NA	PeJP	NA	NA
+PJ040317	GPLEMMM 	C33H57N7O10S3	807.3329	NA	PeJP	NA	NA
+PJ040318	SNDMRW 	C33H49N11O11S	807.3334	NA	PeJP	NA	NA
+PJ040319	GSSWWW 	C41H45N9O9	807.3341	NA	PeJP	NA	NA
+PJ040320	SSSNEER 	C29H49N11O16	807.3359	NA	PeJP	NA	NA
+PJ040321	NQEMMR 	C30H53N11O11S2	807.3368	NA	PeJP	NA	NA
+PJ040322	GTQMWW 	C38H49N9O9S	807.3374	NA	PeJP	NA	NA
+PJ040323	GSSDKEW 	C34H49N9O14	807.3399	NA	PeJP	NA	NA
+PJ040324	VNQMMW 	C35H53N9O9S2	807.3408	NA	PeJP	NA	NA
+PJ040325	SNQHHW 	C35H45N13O10	807.3413	NA	PeJP	NA	NA
+2603	tachykinin family from white shrimp Penaeus vannam	ASFSPWGG	807.342	antibacterial	Inhouse_peptide	NA	peptide
+PJ040326	GSQKEEM 	C31H53N9O14S	807.3433	NA	PeJP	NA	NA
+PJ040327	PVDEYW 	C39H49N7O12	807.3439	NA	PeJP	NA	NA
+PJ040328	GPPDEFF 	C39H49N7O12	807.344	NA	PeJP	NA	NA
+PJ040329	GPNKMMM 	C32H57N9O9S3	807.3442	NA	PeJP	NA	NA
+PJ040330	QQQMHH 	C32H49N13O10S	807.3446	NA	PeJP	NA	NA
+PJ040331	GGAAQMHH 	C32H49N13O10S	807.3447	NA	PeJP	NA	NA
+PJ040332	PPMMFW 	C40H53N7O7S2	807.3448	NA	PeJP	NA	NA
+C11231	Docetaxel anhydrous	C43H53NO14	807.3466	NA	KEGG	NA	NA
+MJ095047	6(17),11-Jatrophadiene-2,3,5,7,8,9,14,15-octol, 9-(3-Pyridinecarbonyl), 3-benzoyl, 7-(2-methylpropanoyl), 2,5,14-tri-Ac 	C43H53NO14	807.346605	NA	MeJP	NA	NA
+MJ095048	Docetaxel 	C43H53NO14	807.346605	NA	MeJP	NA	NA
+PJ040333	GSSSSNNR 	C28H49N13O15	807.3471	NA	PeJP	NA	NA
+PJ040334	GGGGGSSSSR 	C28H49N13O15	807.3472	NA	PeJP	NA	NA
+PJ040335	TLEEMW 	C36H53N7O12S	807.3473	NA	PeJP	NA	NA
+PJ040336	CNEMRR 	C29H53N13O10S2	807.348	NA	PeJP	NA	NA
+PJ040337	PLMMMW 	C37H57N7O7S3	807.3482	NA	PeJP	NA	NA
+PJ040338	GTCRWW 	C37H49N11O8S	807.3487	NA	PeJP	NA	NA
+PJ040339	STTLEEE 	C32H53N7O17	807.3498	NA	PeJP	NA	NA
+PJ040340	GVLEEMM 	C33H57N7O12S2	807.3507	NA	PeJP	NA	NA
+PJ040341	NQQQQY 	C33H49N11O13	807.3511	NA	PeJP	NA	NA
+PJ040342	GSSSERW 	C33H49N11O13	807.3512	NA	PeJP	NA	NA
+PJ040343	GQMMRW 	C34H53N11O8S2	807.352	NA	PeJP	NA	NA
+PJ040344	GSPHHHH 	C34H45N15O9	807.3525	NA	PeJP	NA	NA
+PJ040345	CKWWW 	C42H49N9O6S	807.3527	NA	PeJP	NA	NA
+PJ040346	GSTQEMR 	C30H53N11O13S	807.3545	NA	PeJP	NA	NA
+PJ040347	GGGGGGSTKM 	C30H53N11O13S	807.3546	NA	PeJP	NA	NA
+PJ040348	SSDKWW 	C38H49N9O11	807.3552	NA	PeJP	NA	NA
+PJ040349	APCCKMR 	C31H57N11O8S3	807.3554	NA	PeJP	NA	NA
+PJ040350	NNMHHR 	C31H49N15O9S	807.3559	NA	PeJP	NA	NA
+PJ040351	SQKEMW 	C35H53N9O11S	807.3585	NA	PeJP	NA	NA
+PJ040352	TNKEMW 	C35H53N9O11S	807.3586	NA	PeJP	NA	NA
+PJ040353	PPDFFW 	C43H49N7O9	807.3592	NA	PeJP	NA	NA
+PJ040354	CCDRRR 	C28H53N15O9S2	807.3593	NA	PeJP	NA	NA
+PJ040355	CKHHHF 	C36H49N13O7S	807.3599	NA	PeJP	NA	NA
+PJ040356	SSTQKEE 	C31H53N9O16	807.361	NA	PeJP	NA	NA
+PJ040357	GGSTTKEE 	C31H53N9O16	807.3611	NA	PeJP	NA	NA
+PJ040358	LEEMMR 	C32H57N9O11S2	807.3619	NA	PeJP	NA	NA
+PJ040359	NNNQRY 	C32H49N13O12	807.3624	NA	PeJP	NA	NA
+PJ040360	PVEMFW 	C40H53N7O9S	807.3626	NA	PeJP	NA	NA
+PJ040361	GCMRRW 	C33H53N13O7S2	807.3633	NA	PeJP	NA	NA
+PJ040362	GPTLEEY 	C36H53N7O14	807.3651	NA	PeJP	NA	NA
+PJ040363	GSSDMRR 	C29H53N13O12S	807.3658	NA	PeJP	NA	NA
+PJ040364	APPVMMY 	C37H57N7O9S2	807.3659	NA	PeJP	NA	NA
+PJ040365	VLEMMW 	C37H57N7O9S2	807.366	NA	PeJP	NA	NA
+PJ040366	SSSRWW 	C37H49N11O10	807.3664	NA	PeJP	NA	NA
+PJ040367	SSLLEEM 	C33H57N7O14S	807.3684	NA	PeJP	NA	NA
+PJ040368	SPVLMMM 	C34H61N7O9S3	807.3693	NA	PeJP	NA	NA
+PJ040369	STQMRW 	C34H53N11O10S	807.3698	NA	PeJP	NA	NA
+PJ040370	AAQFWW 	C42H49N9O8	807.3704	NA	PeJP	NA	NA
+PJ040371	GGGVFWW 	C42H49N9O8	807.3705	NA	PeJP	NA	NA
+PJ040372	SSSDKER 	C30H53N11O15	807.3723	NA	PeJP	NA	NA
+PJ040373	NKEMMR 	C31H57N11O10S2	807.3732	NA	PeJP	NA	NA
+PJ040374	GSSQHHR 	C31H49N15O11	807.3736	NA	PeJP	NA	NA
+PJ040375	GGGGGPNHR 	C31H49N15O11	807.3737	NA	PeJP	NA	NA
+PJ040376	GTKMWW 	C39H53N9O8S	807.3738	NA	PeJP	NA	NA
+PJ040377	GSTTKEW 	C35H53N9O13	807.3763	NA	PeJP	NA	NA
+PJ040378	VNKMMW 	C36H57N9O8S2	807.3772	NA	PeJP	NA	NA
+PJ040379	SKHHHY 	C36H49N13O9	807.3776	NA	PeJP	NA	NA
+PJ040380	SNKHHW 	C36H49N13O9	807.3777	NA	PeJP	NA	NA
+PJ040381	GSKKEEM 	C32H57N9O13S	807.3797	NA	PeJP	NA	NA
+PJ040382	PTLEYW 	C40H53N7O11	807.3803	NA	PeJP	NA	NA
+PJ040383	APCKKMM 	C33H61N9O8S3	807.3806	NA	PeJP	NA	NA
+PJ040384	STCRRW 	C33H53N13O9S	807.381	NA	PeJP	NA	NA
+PJ040385	NFRWW 	C41H49N11O7	807.3817	NA	PeJP	NA	NA
+PJ040386	SSSSERR 	C29H53N13O14	807.3835	NA	PeJP	NA	NA
+PJ040387	GPVLEMY 	C37H57N7O11S	807.3837	NA	PeJP	NA	NA
+PJ040388	SQMMRR 	C30H57N13O9S2	807.3844	NA	PeJP	NA	NA
+PJ040389	VVMHHW 	C38H53N11O7S	807.3851	NA	PeJP	NA	NA
+PJ040390	ATLLEMM 	C34H61N7O11S2	807.3871	NA	PeJP	NA	NA
+PJ040391	GSTTTRW 	C34H53N11O12	807.3875	NA	PeJP	NA	NA
+PJ040392	GGVQERY 	C34H53N11O12	807.3876	NA	PeJP	NA	NA
+PJ040393	GKMMRW 	C35H57N11O7S2	807.3884	NA	PeJP	NA	NA
+PJ040394	LQHHHH 	C35H49N15O8	807.3889	NA	PeJP	NA	NA
+PJ040395	GSTKEMR 	C31H57N11O12S	807.3909	NA	PeJP	NA	NA
+PJ040396	STTKWW 	C39H53N9O10	807.3916	NA	PeJP	NA	NA
+MJ095049	Perinereis vancaurica Myomodulin 	C32H61N11O7S3	807.391755	NA	MeJP	NA	NA
+PJ040397	CQKHHR 	C32H53N15O8S	807.3923	NA	PeJP	NA	NA
+PJ040398	SKKEMW 	C36H57N9O10S	807.3949	NA	PeJP	NA	NA
+PJ040399	GGGPVKMY 	C36H57N9O10S	807.395	NA	PeJP	NA	NA
+PJ040400	PPVFYW 	C44H53N7O8	807.3956	NA	PeJP	NA	NA
+PJ040401	SSTKKEE 	C32H57N9O15	807.3974	NA	PeJP	NA	NA
+PJ040402	AAKKEMM 	C33H61N9O10S2	807.3983	NA	PeJP	NA	NA
+PJ040403	GQERRY 	C33H53N13O11	807.3988	NA	PeJP	NA	NA
+PJ040404	PVLMYW 	C41H57N7O8S	807.399	NA	PeJP	NA	NA
+PJ040405	AALLEEY 	C37H57N7O13	807.4015	NA	PeJP	NA	NA
+PJ040406	GSTTMRR 	C30H57N13O11S	807.4021	NA	PeJP	NA	NA
+PJ040407	ASSTMRR 	C30H57N13O11S	807.4022	NA	PeJP	NA	NA
+PJ040408	GPLLMMF 	C38H61N7O8S2	807.4023	NA	PeJP	NA	NA
+PJ040409	GVQRYW 	C38H53N11O9	807.4028	NA	PeJP	NA	NA
+PJ040410	TTTLLEM 	C34H61N7O13S	807.4048	NA	PeJP	NA	NA
+PJ040411	GLLLMMM 	C35H65N7O8S3	807.4057	NA	PeJP	NA	NA
+PJ040412	STKMRW 	C35H57N11O9S	807.4062	NA	PeJP	NA	NA
+PJ040413	AAKFWW 	C43H53N9O7	807.4068	NA	PeJP	NA	NA
+PJ040414	SSTTKER 	C31H57N11O14	807.4087	NA	PeJP	NA	NA
+PJ040415	DKKMMR 	C32H61N11O9S2	807.4095	NA	PeJP	NA	NA
+PJ040416	AATKMMR 	C32H61N11O9S2	807.4096	NA	PeJP	NA	NA
+PJ040417	PNEHRR 	C32H53N15O10	807.41	NA	PeJP	NA	NA
+PJ040418	PCKKFW 	C40H57N9O7S	807.4102	NA	PeJP	NA	NA
+PJ040419	SSSTLKW 	C36H57N9O12	807.4127	NA	PeJP	NA	NA
+PJ040420	CLKKMW 	C37H61N9O7S2	807.4136	NA	PeJP	NA	NA
+PJ040421	QRRYW 	C37H53N13O8	807.414	NA	PeJP	NA	NA
+PJ040422	GGPVHRW 	C37H53N13O8	807.4141	NA	PeJP	NA	NA
+PJ040423	ATTKKEM 	C33H61N9O12S	807.4161	NA	PeJP	NA	NA
+PJ040424	VVLEYW 	C41H57N7O10	807.4167	NA	PeJP	NA	NA
+PJ040425	AQMFRR 	C34H57N13O8S	807.4174	NA	PeJP	NA	NA
+PJ040426	SSTTTRR 	C30H57N13O13	807.4199	NA	PeJP	NA	NA
+PJ040427	APTLLMY 	C38H61N7O10S	807.4201	NA	PeJP	NA	NA
+PJ040428	SKMMRR 	C31H61N13O8S2	807.4208	NA	PeJP	NA	NA
+PJ040429	STLLLMM 	C35H65N7O10S2	807.4235	NA	PeJP	NA	NA
+PJ040430	VNKERY 	C35H57N11O11	807.4239	NA	PeJP	NA	NA
+PJ040431	GGGGAAKKY 	C35H57N11O11	807.424	NA	PeJP	NA	NA
+PJ040432	GPHRRW 	C36H53N15O7	807.4253	NA	PeJP	NA	NA
+PJ040433	SSSLKMR 	C32H61N11O11S	807.4273	NA	PeJP	NA	NA
+PJ040434	SPKKYW 	C40H57N9O9	807.4279	NA	PeJP	NA	NA
+PJ040435	ALQKYW 	C40H57N9O9	807.428	NA	PeJP	NA	NA
+PJ040436	CKKHHR 	C33H57N15O7S	807.4286	NA	PeJP	NA	NA
+PJ040437	ACFRRR 	C33H57N15O7S	807.4287	NA	PeJP	NA	NA
+PJ040438	AAPKKMY 	C37H61N9O9S	807.4313	NA	PeJP	NA	NA
+PJ040439	PVLFFW 	C45H57N7O7	807.432	NA	PeJP	NA	NA
+PJ040440	TTTTKKE 	C33H61N9O14	807.4338	NA	PeJP	NA	NA
+8291	ACE inhibitor	PGPLGLTGP	807.434	NA  ;SYN:4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium  inner salt stereoisomer; deoxipyridinoline; deoxy-pyridinoline; deoxypiridinoline; deoxypirydynoline; deoxypyridinolone; deoxypyridoline; desoxypyridinoline; Lysylpyridinoline; N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ040441	GTLKKMM 	C34H65N9O9S2	807.4347	NA	PeJP	NA	NA
+PJ040442	GKERRY 	C34H57N13O10	807.4352	NA	PeJP	NA	NA
+MJ095050	Mollamide 	C42H61N7O7S	807.435318	NA	MeJP	NA	NA
+PJ040443	VLLMFW 	C42H61N7O7S	807.4354	NA	PeJP	NA	NA
+8181	peptide derived from bovine k-casein (18û24)	FSDKIAK	807.4359	antibacterial	Inhouse_peptide	NA	peptide
+8266	f(18-24) of bovine kappa casein	FSDKIAK	807.4359	NA  ;SYN:(-)-2-Pyrrolidone-5-carboxylate; (-)-2-Pyrrolidone-5-carboxylic acid; (-)-Pyroglutamate; (-)-Pyroglutamic acid; (5S)-2-Oxopyrrolidine-5-carboxylate; (5S)-2-Oxopyrrolidine-5-carboxylic acid; (S)-(-)-2-Pyrrolidone-5-carboxylate; (S)-(-)-2-Pyrrolidone-5-carboxylic acid; (S)-(-)-g-Butyrolactam-g-carboxylate; (S)-(-)-g-Butyrolactam-g-carboxylic acid; (S)-2-Pyrrolidone-5-carboxylate; (S)-2-Pyrrolidone-5-carboxylic acid; (S)-5-Oxo-2-pyrrolidinecarboxylate; (S)-5-Oxo-2-pyrrolidinecarboxylic acid; (S)-Pyroglutamate; (S)-Pyroglutamic acid; 2-L-Pyrrolidone-5-carboxylate; 2-L-Pyrrolidone-5-carboxylic acid; 2-Oxopyrrolidine-5(S)-carboxylate; 2-Oxopyrrolidine-5(S)-carboxylic acid; 2-Pyrrolidinone-5-carboxylate; 2-Pyrrolidinone-5-carboxylic acid; 5-Carboxy-2-pyrrolidinone; 5-Oxo-L-proline; 5-L-oxoproline; 5-Oxoproline; 5-Pyrrolidinone-2-carboxylate; 5-Pyrrolidinone-2-carboxylic acid; Ajidew A 100; Glutimate; Glutimic acid; Glutiminate; Glutiminic acid; L-2-Pyrrolidone-5-carboxylate; L-2-Pyrrolidone-5-carboxylic acid; L-5-Carboxy-2-pyrrolidinone; L-5-Oxo-2-pyrrolidinecarboxylate; L-5-Oxo-2-pyrrolidinecarboxylic acid; L-5-Oxoproline; L-Glutamic acid g-lactam; L-Glutimate; L-Glutimic acid; L-Glutiminate; L-Glutiminic acid; L-Pyroglutamate; L-Pyroglutamic acid; L-Pyrrolidinonecarboxylate; L-Pyrrolidinonecarboxylic acid; L-Pyrrolidonecarboxylate; L-Pyrrolidonecarboxylic acid; Oxoproline; Oxopyrrolidinecarboxylate; Oxopyrrolidinecarboxylic acid; Pidolate; Pidolic acid; Pidolidone; Pyroglutamate; Pyroglutamic acid; Pyrrolidinonecarboxylate; Pyrrolidinonecarboxylic acid; Pyrrolidone-5-carboxylate; Pyrrolidone-5-carboxylic acid; Pyrrolidonecarboxylic acid; (S)-(-)-gamma-Butyrolactam-gamma-carboxylate; (S)-(-)-gamma-Butyrolactam-gamma-carboxylic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ040444	GTLLLEY 	C38H61N7O12	807.4378	NA	PeJP	NA	NA
+PJ040445	VVVVTEY 	C38H61N7O12	807.4379	NA	PeJP	NA	NA
+PJ040446	GVKRYW 	C39H57N11O8	807.4392	NA	PeJP	NA	NA
+PJ040447	VQKMFR 	C36H61N11O8S	807.4426	NA	PeJP	NA	NA
+PJ040448	TTTTTKR 	C32H61N11O13	807.445	NA	PeJP	NA	NA
+PJ040449	GSSSSKKK 	C32H61N11O13	807.4451	NA	PeJP	NA	NA
+PJ040450	ACCKKKK 	C33H65N11O8S2	807.4459	NA	PeJP	NA	NA
+PJ040451	GTRRRY 	C33H57N15O9	807.4464	NA	PeJP	NA	NA
+PJ040452	LQKKEY 	C37H61N9O11	807.4491	NA	PeJP	NA	NA
+PJ040453	KRRYW 	C38H57N13O7	807.4504	NA	PeJP	NA	NA
+PJ040454	STTLKKM 	C34H65N9O11S	807.4524	NA	PeJP	NA	NA
+PJ040455	VTTTKKM 	C34H65N9O11S	807.4525	NA	PeJP	NA	NA
+PJ040456	TLLLYW 	C42H61N7O9	807.4531	NA	PeJP	NA	NA
+PJ040457	AKMFRR 	C35H61N13O7S	807.4538	NA	PeJP	NA	NA
+PJ040458	GVLLLMY 	C39H65N7O9S	807.4565	NA	PeJP	NA	NA
+PJ040459	SPHRRR 	C32H57N17O8	807.4576	NA	PeJP	NA	NA
+PJ040460	VDKKRY 	C36H61N11O10	807.4603	NA	PeJP	NA	NA
+PJ040461	SSCKKKK 	C33H65N11O10S	807.4637	NA	PeJP	NA	NA
+PJ040462	ALKKYW 	C41H61N9O8	807.4643	NA	PeJP	NA	NA
+PJ040463	PPVVLHF 	C41H61N9O8	807.4644	NA	PeJP	NA	NA
+PJ040464	LLLMRY 	C38H65N9O8S	807.4677	NA	PeJP	NA	NA
+PJ040465	SVKRRY 	C35H61N13O9	807.4716	NA	PeJP	NA	NA
+PJ040466	SSLLLLY 	C39H65N7O11	807.4742	NA	PeJP	NA	NA
+PJ040467	PLKKHW 	C40H61N11O7	807.4756	NA	PeJP	NA	NA
+MJ095051	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C43H69NO13	807.476891	NA	MeJP	NA	NA
+MJ095052	Ascomycin; 8S-Hydroxy 	C43H69NO13	807.476891	NA	MeJP	NA	NA
+MJ095053	Pitipeptolide A 	C44H65N5O9	807.478228	NA	MeJP	NA	NA
+PJ040468	VKKMFR 	C37H65N11O7S	807.4789	NA	PeJP	NA	NA
+PJ040469	VLQHRR 	C34H61N15O8	807.4828	NA	PeJP	NA	NA
+PJ040470	LKKKEY 	C38H65N9O10	807.4855	NA	PeJP	NA	NA
+PJ040471	GVLLLFF 	C43H65N7O8	807.4895	NA	PeJP	NA	NA
+PJ040472	ALHRRR 	C33H61N17O7	807.494	NA	PeJP	NA	NA
+PJ040473	TLKKRY 	C37H65N11O9	807.4967	NA	PeJP	NA	NA
+PJ040474	LLLFFR 	C42H65N9O7	807.5007	NA	PeJP	NA	NA
+HMDB12362	PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C44H74NO10P	807.505005	NA	HMDB2010	NA	NA
+HMDB12405	PS(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))	C44H74NO10P	807.505005	NA	HMDB2010	NA	NA
+HMDB12415	PS(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	C44H74NO10P	807.505005	NA	HMDB2010	NA	NA
+HMDB12425	PS(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))	C44H74NO10P	807.505005	NA	HMDB2010	NA	NA
+HMDB12435	PS(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))	C44H74NO10P	807.505005	NA	HMDB2010	NA	NA
+HMDB12442	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	C44H74NO10P	807.505005	NA	HMDB2010	NA	NA
+PJ040475	GPPLLRR 	C36H65N13O8	807.5079	NA	PeJP	NA	NA
+PJ040476	VLKHRR 	C35H65N15O7	807.5192	NA	PeJP	NA	NA
+PJ040477	SLLLLLH 	C39H69N9O9	807.5219	NA	PeJP	NA	NA
+PJ040478	PPVVLKR 	C38H69N11O8	807.5331	NA	PeJP	NA	NA
+HMDB12314	3-O-Sulfogalactosylceramide (d18:1/18:0)	C42H81NO11S	807.55304	NA	HMDB2010	NA	NA
+PJ040479	PPLLLKK 	C40H73N9O8	807.5582	NA	PeJP	NA	NA
+EUR965	PC 36:2 [M+Na]+	C44H84NO8P	807.575403	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR965	PC 36:2 [M+Na]+	C44H84NO8P	807.575403	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR965	PC 36:2 [M+Na]+	C44H84NO8P	807.575403	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR965	PC 36:2 [M+Na]+	C44H84NO8P	807.575403	masses lipides attendues	Inhousejuil11	NA	NA
+EUR999	PC 38:5 monoisotopic mass 	C46H82NO8P	807.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR999	PC 38:5 monoisotopic mass 	C46H82NO8P	807.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR999	PC 38:5 monoisotopic mass 	C46H82NO8P	807.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR999	PC 38:5 monoisotopic mass 	C46H82NO8P	807.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07989	PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB07990	PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08021	PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08050	PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08081	PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08082	PC(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08114	PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08115	PC(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08139	PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08146	PC(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08177	PC(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08210	PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08242	PC(18:4(6Z,9Z,12Z,15Z)/20:1(11Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08306	PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08337	PC(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08338	PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08369	PC(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08402	PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08432	PC(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08433	PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08465	PC(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08466	PC(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08497	PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08627	PC(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08659	PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+HMDB08692	PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	C46H82NO8P	807.57782	NA	HMDB2010	NA	NA
+MJ095054	Mallonin 	C33H28O24	808.097051	NA	MeJP	NA	NA
+PJ040480	GCCCCCCD 	C24H40N8O11S6	808.1141	NA	PeJP	NA	NA
+PJ040481	GSCCCCCM 	C25H44N8O10S6	808.1505	NA	PeJP	NA	NA
+PJ040482	SSTCCCCC 	C25H44N8O12S5	808.1682	NA	PeJP	NA	NA
+PJ040483	CCCCCQF 	C29H44N8O9S5	808.1835	NA	PeJP	NA	NA
+PJ040484	CCCNDDH 	C27H40N10O13S3	808.1939	NA	PeJP	NA	NA
+PJ040485	SCCCCQY 	C29H44N8O11S4	808.2013	NA	PeJP	NA	NA
+PJ040486	GSPCCCCH 	C28H44N10O10S4	808.2125	NA	PeJP	NA	NA
+PJ040487	GSSSCCCY 	C29H44N8O13S3	808.219	NA	PeJP	NA	NA
+PJ040488	CCCCCKF 	C30H48N8O8S5	808.2199	NA	PeJP	NA	NA
+PJ040489	CNNNDDD 	C27H40N10O17S	808.2294	NA	PeJP	NA	NA
+PJ040490	SCCNDMH 	C28H44N10O12S3	808.2303	NA	PeJP	NA	NA
+PJ040491	GCCCNFY 	C33H44N8O10S3	808.2343	NA	PeJP	NA	NA
+PJ040492	SNDDDDE 	C28H40N8O20	808.2359	NA	PeJP	NA	NA
+PJ040493	PCNDDDM 	C29H44N8O15S2	808.2368	NA	PeJP	NA	NA
+PJ040494	SCCCCKY 	C30H48N8O10S4	808.2376	NA	PeJP	NA	NA
+PJ040495	SPPPCCCC 	C30H48N8O10S4	808.2377	NA	PeJP	NA	NA
+PJ040496	CDDMYY 	C34H44N6O13S2	808.2408	NA	PeJP	NA	NA
+MJ095055	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 6'-O-(4-hydroxy-3,5-dimethoxycinnamoyl)(E-), 4,6-di-Ac 	C37H44O20	808.242593	NA	MeJP	NA	NA
+PJ040497	CMMMMY 	C32H52N6O8S5	808.245	NA	PeJP	NA	NA
+PJ040498	GTCCCHW 	C32H44N10O9S3	808.2455	NA	PeJP	NA	NA
+PJ040499	GSSSCCEH 	C28H44N10O14S2	808.248	NA	PeJP	NA	NA
+PJ040500	GCCQMMH 	C29H48N10O9S4	808.2489	NA	PeJP	NA	NA
+PJ040501	GSDDDDW 	C32H40N8O17	808.2512	NA	PeJP	NA	NA
+PJ040502	GPCCDEW 	C33H44N8O12S2	808.252	NA	PeJP	NA	NA
+PJ040503	GDDDQEM 	C29H44N8O17S	808.2545	NA	PeJP	NA	NA
+PJ040504	GNDDEEM 	C29H44N8O17S	808.2546	NA	PeJP	NA	NA
+PJ040505	GSPPCCDM 	C30H48N8O12S3	808.2554	NA	PeJP	NA	NA
+PJ040506	CCNNNNQ 	C27H44N12O13S2	808.2592	NA	PeJP	NA	NA
+PJ040507	GGCCNNNQ 	C27H44N12O13S2	808.2593	NA	PeJP	NA	NA
+PJ040508	CDMMFY 	C35H48N6O10S3	808.2594	NA	PeJP	NA	NA
+PJ040509	GCCCMHR 	C28H48N12O8S4	808.2601	NA	PeJP	NA	NA
+PJ040510	SSSCCHW 	C32H44N10O11S2	808.2633	NA	PeJP	NA	NA
+PJ040511	GCDDDER 	C28H44N10O16S	808.2658	NA	PeJP	NA	NA
+PJ040512	SSCNMMH 	C29H48N10O11S3	808.2666	NA	PeJP	NA	NA
+PJ040513	GGSSCMMH 	C29H48N10O11S3	808.2667	NA	PeJP	NA	NA
+PJ040514	PCCDWW 	C37H44N8O9S2	808.2673	NA	PeJP	NA	NA
+PJ040515	NDDEMW 	C33H44N8O14S	808.2698	NA	PeJP	NA	NA
+PJ040516	PPTCCCW 	C34H48N8O9S3	808.2707	NA	PeJP	NA	NA
+PJ040517	SSNDEEE 	C29H44N8O19	808.2723	NA	PeJP	NA	NA
+PJ040518	SPNDDMM 	C30H48N8O14S2	808.2732	NA	PeJP	NA	NA
+PJ040519	GNDDDHH 	C30H40N12O15	808.2737	NA	PeJP	NA	NA
+PJ040520	CDDFFY 	C38H44N6O12S	808.2738	NA	PeJP	NA	NA
+PJ040521	EMMMMH 	C31H52N8O9S4	808.274	NA	PeJP	NA	NA
+PJ040522	GAPPCCMM 	C31H52N8O9S4	808.2741	NA	PeJP	NA	NA
+PJ040523	GSSCNNNN 	C27H44N12O15S	808.277	NA	PeJP	NA	NA
+PJ040524	SDMMYY 	C35H48N6O12S2	808.2772	NA	PeJP	NA	NA
+PJ040525	STCCCHR 	C28H48N12O10S3	808.2779	NA	PeJP	NA	NA
+PJ040526	CMMMFF 	C36H52N6O7S4	808.2781	NA	PeJP	NA	NA
+PJ040527	CCNHFW 	C36H44N10O8S2	808.2785	NA	PeJP	NA	NA
+FL5FAAGI0012	Diphylloside B	C38H48O19	808.27897	118544-18-6	knapsack	NA	NA
+FL5FABGI0009	Epimedin B	C38H48O19	808.27897	110623-73-9	knapsack	NA	NA
+FL5FCAGI0001	8-Prenylkaempferol 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];Noranhydroicaritin 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];3,4',5,7-Tetrahydroxy-8-(3-methyl-2-butenyl)flavone 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside];3-[(O-D-Apio-beta-D-furanosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C38H48O19	808.27897	221686-00-6	knapsack	NA	NA
+MJ095056	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C38H48O19	808.278979	NA	MeJP	NA	NA
+MJ095057	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C38H48O19	808.278979	NA	MeJP	NA	NA
+MJ095058	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C38H48O19	808.278979	NA	MeJP	NA	NA
+MJ095059	3,4',5,7-Tetrahydroxy-8-prenylflavone; 7-Me ether, 3-O-[?-D-apiofuranosyl-(1?6)[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C38H48O19	808.278979	NA	MeJP	NA	NA
+PJ040528	CDDDRW 	C32H44N10O13S	808.281	NA	PeJP	NA	NA
+PJ040529	GGGGGTCDW 	C32H44N10O13S	808.2811	NA	PeJP	NA	NA
+PJ040530	SSDDDDR 	C28H44N10O18	808.2835	NA	PeJP	NA	NA
+PJ040531	GGGGGSSSDE 	C28H44N10O18	808.2836	NA	PeJP	NA	NA
+PJ040532	SPCCDER 	C29H48N10O13S2	808.2844	NA	PeJP	NA	NA
+PJ040533	GDDMWW 	C37H44N8O11S	808.2851	NA	PeJP	NA	NA
+PJ040534	PPCCCMR 	C30H52N10O8S4	808.2853	NA	PeJP	NA	NA
+PJ040535	GSSDEEW 	C33H44N8O16	808.2876	NA	PeJP	NA	NA
+PJ040536	GSPCEMW 	C34H48N8O11S2	808.2884	NA	PeJP	NA	NA
+PJ040537	GSQEEEM 	C30H48N8O16S	808.2909	NA	PeJP	NA	NA
+PJ040538	GDEYYY 	C38H44N6O14	808.2916	NA	PeJP	NA	NA
+PJ040539	GPNEMMM 	C31H52N8O11S3	808.2918	NA	PeJP	NA	NA
+PJ040540	SPCNDHH 	C31H44N12O12S	808.2923	NA	PeJP	NA	NA
+PJ040541	CDMFFF 	C39H48N6O9S2	808.2925	NA	PeJP	NA	NA
+MJ095060	Azadirachtin; O3-De-Ac, 3-cinnamoyl 	C42H48O16	808.294235	NA	MeJP	NA	NA
+PJ040542	GCNNDMR 	C28H48N12O12S2	808.2956	NA	PeJP	NA	NA
+PJ040543	GGGCNDMR 	C28H48N12O12S2	808.2957	NA	PeJP	NA	NA
+PJ040544	AMMMYY 	C36H52N6O9S3	808.2958	NA	PeJP	NA	NA
+PJ040545	SCNNWW 	C36H44N10O10S	808.2963	NA	PeJP	NA	NA
+PJ040546	SSSNNDW 	C32H44N10O15	808.2988	NA	PeJP	NA	NA
+PJ040547	NNMMHY 	C33H48N10O10S2	808.2996	NA	PeJP	NA	NA
+PJ040548	NNNMMW 	C33H48N10O10S2	808.2997	NA	PeJP	NA	NA
+PJ040549	CEWWW 	C41H44N8O8S	808.3003	NA	PeJP	NA	NA
+PJ040550	GSDDEMR 	C29H48N10O15S	808.3022	NA	PeJP	NA	NA
+PJ040551	SSDEWW 	C37H44N8O13	808.3028	NA	PeJP	NA	NA
+PJ040552	GPCDMMR 	C30H52N10O10S3	808.303	NA	PeJP	NA	NA
+PJ040553	GGGGPCCKM 	C30H52N10O10S3	808.3031	NA	PeJP	NA	NA
+PJ040554	GCNNQHH 	C30H44N14O11S	808.3035	NA	PeJP	NA	NA
+PJ040555	SPCMWW 	C38H48N8O8S2	808.3037	NA	PeJP	NA	NA
+PJ040556	SQEEMW 	C34H48N8O13S	808.3062	NA	PeJP	NA	NA
+PJ040557	DYYYW 	C42H44N6O11	808.3068	NA	PeJP	NA	NA
+PJ040558	PNMMMW 	C35H52N8O8S3	808.3071	NA	PeJP	NA	NA
+PJ040559	CEHHHF 	C35H44N12O9S	808.3075	NA	PeJP	NA	NA
+PJ040560	SSTQEEE 	C30H48N8O18	808.3087	NA	PeJP	NA	NA
+PJ040561	SSPQEMM 	C31H52N8O13S2	808.3095	NA	PeJP	NA	NA
+PJ040562	AAQEEMM 	C31H52N8O13S2	808.3096	NA	PeJP	NA	NA
+PJ040563	GNNNNNY 	C31H44N12O14	808.31	NA	PeJP	NA	NA
+PJ040564	GGGGGGGGGNY 	C31H44N12O14	808.3101	NA	PeJP	NA	NA
+PJ040565	PTCYYY 	C39H48N6O11S	808.3102	NA	PeJP	NA	NA
+PJ040566	PPCCKMM 	C32H56N8O8S4	808.3104	NA	PeJP	NA	NA
+PJ040567	CCNQRW 	C32H48N12O9S2	808.3109	NA	PeJP	NA	NA
+PJ040568	SSCNNER 	C28H48N12O14S	808.3134	NA	PeJP	NA	NA
+PJ040569	TTMMYY 	C36H52N6O11S2	808.3136	NA	PeJP	NA	NA
+PJ040570	NNNDFW 	C36H44N10O12	808.314	NA	PeJP	NA	NA
+PJ040571	GGGGNDFW 	C36H44N10O12	808.3141	NA	PeJP	NA	NA
+PJ040572	SDDMRW 	C33H48N10O12S	808.3174	NA	PeJP	NA	NA
+PJ040573	SSSDEER 	C29H48N10O17	808.3199	NA	PeJP	NA	NA
+PJ040574	NEEMMR 	C30H52N10O12S2	808.3208	NA	PeJP	NA	NA
+PJ040575	SSNNNHH 	C30H44N14O13	808.3213	NA	PeJP	NA	NA
+PJ040576	GTEMWW 	C38H48N8O10S	808.3214	NA	PeJP	NA	NA
+PJ040577	GGPDMFW 	C38H48N8O10S	808.3215	NA	PeJP	NA	NA
+PJ040578	GPCCHHR 	C31H48N14O8S2	808.3221	NA	PeJP	NA	NA
+PJ040579	GSTTEEW 	C34H48N8O15	808.3239	NA	PeJP	NA	NA
+PJ040580	GGGPTEEY 	C34H48N8O15	808.324	NA	PeJP	NA	NA
+PJ040581	VNEMMW 	C35H52N8O10S2	808.3248	NA	PeJP	NA	NA
+PJ040582	SNEHHW 	C35H44N12O11	808.3253	NA	PeJP	NA	NA
+PJ040583	MFYYW 	C43H48N6O8S	808.3254	NA	PeJP	NA	NA
+PJ040584	GSKEEEM 	C31H52N8O15S	808.3273	NA	PeJP	NA	NA
+PJ040585	ATEYYY 	C39H48N6O13	808.328	NA	PeJP	NA	NA
+PJ040586	GPDKMMM 	C32H56N8O10S3	808.3282	NA	PeJP	NA	NA
+PJ040587	SSPNMHH 	C32H48N12O11S	808.3286	NA	PeJP	NA	NA
+PJ040588	GSSCNRW 	C32H48N12O11S	808.3287	NA	PeJP	NA	NA
+PJ040589	AMMFFY 	C40H52N6O8S2	808.3288	NA	PeJP	NA	NA
+MJ095061	Galtamycin 	C43H52O15	808.33062	NA	MeJP	NA	NA
+PJ040590	GSSSSNDR 	C28H48N12O16	808.3312	NA	PeJP	NA	NA
+PJ040591	CDEMRR 	C29H52N12O11S2	808.332	NA	PeJP	NA	NA
+PJ040592	NNMHFF 	C37H48N10O9S	808.3327	NA	PeJP	NA	NA
+PJ040593	SSSSQQW 	C33H48N10O14	808.3352	NA	PeJP	NA	NA
+PJ040594	VCDMRW 	C34H52N10O9S2	808.336	NA	PeJP	NA	NA
+PJ040595	GEMMRW 	C34H52N10O9S2	808.3361	NA	PeJP	NA	NA
+PJ040596	TMWWW 	C42H48N8O7S	808.3367	NA	PeJP	NA	NA
+PJ040597	GSTEEMR 	C30H52N10O14S	808.3385	NA	PeJP	NA	NA
+PJ040598	GGGGSSKEM 	C30H52N10O14S	808.3386	NA	PeJP	NA	NA
+PJ040599	STTEWW 	C38H48N8O12	808.3392	NA	PeJP	NA	NA
+PJ040600	GSPMMMR 	C31H56N10O9S3	808.3394	NA	PeJP	NA	NA
+PJ040601	NDMHHR 	C31H48N14O10S	808.3399	NA	PeJP	NA	NA
+PJ040602	GVMMWW 	C39H52N8O7S2	808.3401	NA	PeJP	NA	NA
+PJ040603	GSHHWW 	C39H44N12O8	808.3405	NA	PeJP	NA	NA
+PJ040604	SKEEMW 	C35H52N8O12S	808.3426	NA	PeJP	NA	NA
+PJ040605	GPFYYY 	C43H48N6O10	808.3432	NA	PeJP	NA	NA
+PJ040606	GSCCQRR 	C28H52N14O10S2	808.3433	NA	PeJP	NA	NA
+PJ040607	LMMMHF 	C36H56N8O7S3	808.3434	NA	PeJP	NA	NA
+PJ040608	AQMHHW 	C36H48N12O8S	808.3439	NA	PeJP	NA	NA
+PJ040609	SSTKEEE 	C31H52N8O17	808.3451	NA	PeJP	NA	NA
+PJ040610	GVDKEMM 	C32H56N8O12S2	808.3459	NA	PeJP	NA	NA
+PJ040611	AAKEEMM 	C32H56N8O12S2	808.346	NA	PeJP	NA	NA
+PJ040612	NNNERY 	C32H48N12O13	808.3464	NA	PeJP	NA	NA
+PJ040613	GLMYYY 	C40H52N6O10S	808.3466	NA	PeJP	NA	NA
+PJ040614	CCNKRW 	C33H52N12O8S2	808.3473	NA	PeJP	NA	NA
+PJ040615	NQHHHH 	C33H44N16O9	808.3478	NA	PeJP	NA	NA
+PJ040616	SSSNQMR 	C29H52N12O13S	808.3498	NA	PeJP	NA	NA
+PJ040617	GQQQYW 	C37H48N10O11	808.3504	NA	PeJP	NA	NA
+PJ040618	GGGGGGVYW 	C37H48N10O11	808.3505	NA	PeJP	NA	NA
+PJ040619	MMRWW 	C38H52N10O6S2	808.3513	NA	PeJP	NA	NA
+MJ095062	Terracinolide A; 6-Debenzoyl, 6-(2-methylpropanoyl) 	C40H56O17	808.35175	NA	MeJP	NA	NA
+PJ040620	STEMRW 	C34H52N10O11S	808.3538	NA	PeJP	NA	NA
+PJ040621	ASPYWW 	C42H48N8O9	808.3544	NA	PeJP	NA	NA
+PJ040622	GPTYWW 	C42H48N8O9	808.3545	NA	PeJP	NA	NA
+PJ040623	ACHHRW 	C35H48N14O7S	808.3552	NA	PeJP	NA	NA
+PJ040624	SSTTEER 	C30H52N10O16	808.3563	NA	PeJP	NA	NA
+PJ040625	DKEMMR 	C31H56N10O11S2	808.3572	NA	PeJP	NA	NA
+PJ040626	GSSEHHR 	C31H48N14O12	808.3576	NA	PeJP	NA	NA
+PJ040627	GPNNDHR 	C31H48N14O12	808.3577	NA	PeJP	NA	NA
+PJ040628	SSLMWW 	C39H52N8O9S	808.3578	NA	PeJP	NA	NA
+PJ040629	FFFYW 	C47H48N6O7	808.3585	NA	PeJP	NA	NA
+PJ040630	SSSTLEW 	C35H52N8O14	808.3603	NA	PeJP	NA	NA
+PJ040631	SSSCNRR 	C28H52N14O12S	808.361	NA	PeJP	NA	NA
+PJ040632	VDKMMW 	C36H56N8O9S2	808.3612	NA	PeJP	NA	NA
+PJ040633	GNNRYW 	C36H48N12O10	808.3617	NA	PeJP	NA	NA
+PJ040634	AMFFFF 	C44H52N6O7S	808.3619	NA	PeJP	NA	NA
+PJ040635	ATTKEEM 	C32H56N8O14S	808.3637	NA	PeJP	NA	NA
+PJ040636	STLYYY 	C40H52N6O12	808.3643	NA	PeJP	NA	NA
+PJ040637	APTKMMM 	C33H60N8O9S3	808.3646	NA	PeJP	NA	NA
+PJ040638	PCDRRY 	C33H52N12O10S	808.365	NA	PeJP	NA	NA
+PJ040639	GGGGQMFR 	C33H52N12O10S	808.3651	NA	PeJP	NA	NA
+PJ040640	DFRWW 	C41H48N10O8	808.3657	NA	PeJP	NA	NA
+PJ040641	GSSSSTQR 	C29H52N12O15	808.3675	NA	PeJP	NA	NA
+PJ040642	SEMMRR 	C30H56N12O10S2	808.3684	NA	PeJP	NA	NA
+PJ040643	GPMRYW 	C38H52N10O8S	808.3691	NA	PeJP	NA	NA
+PJ040644	SSSSQKW 	C34H52N10O13	808.3715	NA	PeJP	NA	NA
+PJ040645	GGSSSTKW 	C34H52N10O13	808.3716	NA	PeJP	NA	NA
+PJ040646	SVMMRW 	C35H56N10O8S2	808.3724	NA	PeJP	NA	NA
+PJ040647	SSHHRW 	C35H48N14O9	808.3729	NA	PeJP	NA	NA
+PJ040648	SSSLEMR 	C31H56N10O13S	808.3749	NA	PeJP	NA	NA
+PJ040649	SPKEYW 	C39H52N8O11	808.3756	NA	PeJP	NA	NA
+PJ040650	LQMMMR 	C32H60N10O8S3	808.3758	NA	PeJP	NA	NA
+PJ040651	CNNFRR 	C32H52N14O9S	808.3763	NA	PeJP	NA	NA
+PJ040652	GTTTLMW 	C36H56N8O11S	808.3789	NA	PeJP	NA	NA
+PJ040653	VVTTTCW 	C36H56N8O11S	808.379	NA	PeJP	NA	NA
+PJ040654	GLFFYY 	C44H52N6O9	808.3796	NA	PeJP	NA	NA
+PJ040655	GSCCKRR 	C29H56N14O9S2	808.3797	NA	PeJP	NA	NA
+PJ040656	AKMHHW 	C37H52N12O7S	808.3803	NA	PeJP	NA	NA
+PJ040657	TTTTKEE 	C32H56N8O16	808.3814	NA	PeJP	NA	NA
+PJ040658	ASSTTTLE 	C32H56N8O16	808.3815	NA	PeJP	NA	NA
+PJ040659	GTLKEMM 	C33H60N8O11S2	808.3823	NA	PeJP	NA	NA
+PJ040660	GEERRY 	C33H52N12O12	808.3828	NA	PeJP	NA	NA
+PJ040661	PCMFRR 	C34H56N12O7S2	808.3837	NA	PeJP	NA	NA
+PJ040662	NKHHHH 	C34H48N16O8	808.3841	NA	PeJP	NA	NA
+PJ040663	GGKHHHH 	C34H48N16O8	808.3842	NA	PeJP	NA	NA
+PJ040664	SSSNKMR 	C30H56N12O12S	808.3862	NA	PeJP	NA	NA
+PJ040665	GVERYW 	C38H52N10O10	808.3868	NA	PeJP	NA	NA
+PJ040666	CLMMRR 	C31H60N12O7S3	808.387	NA	PeJP	NA	NA
+PJ040667	TCHHRR 	C31H52N16O8S	808.3875	NA	PeJP	NA	NA
+MJ095063	Corynecandin 	C41H60O16	808.388135	NA	MeJP	NA	NA
+MJ095064	Neocynaponogenin A; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C41H60O16	808.388135	NA	MeJP	NA	NA
+PJ040668	GSTCKKW 	C35H56N10O10S	808.3902	NA	PeJP	NA	NA
+PJ040669	AALYWW 	C43H52N8O8	808.3908	NA	PeJP	NA	NA
+PJ040670	GGPVFFW 	C43H52N8O8	808.3909	NA	PeJP	NA	NA
+PJ040671	TTTTTER 	C31H56N10O15	808.3927	NA	PeJP	NA	NA
+PJ040672	GTTLMMR 	C32H60N10O10S2	808.3936	NA	PeJP	NA	NA
+PJ040673	SNNRRY 	C32H52N14O11	808.394	NA	PeJP	NA	NA
+PJ040674	GGGGAPTHR 	C32H52N14O11	808.3941	NA	PeJP	NA	NA
+PJ040675	PCLKYW 	C40H56N8O8S	808.3942	NA	PeJP	NA	NA
+PJ040676	STTTTLW 	C36H56N8O13	808.3967	NA	PeJP	NA	NA
+PJ040677	TLKMMW 	C37H60N8O8S2	808.3976	NA	PeJP	NA	NA
+PJ040678	ERRYW 	C37H52N12O9	808.3981	NA	PeJP	NA	NA
+7755	soymorphin-7	YPFVVNA	808.3989	antioxidative	Inhouse_peptide	NA	peptide
+3588	NA	WWPKHG~	808.399	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ040679	STTLKEM 	C33H60N8O13S	808.4001	NA	PeJP	NA	NA
+PJ040680	GVLKMMM 	C34H64N8O8S3	808.401	NA	PeJP	NA	NA
+PJ040681	SPMRRY 	C34H56N12O9S	808.4014	NA	PeJP	NA	NA
+PJ040682	VRYWW 	C42H52N10O7	808.4021	NA	PeJP	NA	NA
+PJ040683	GSSSSTKR 	C30H56N12O14	808.4039	NA	PeJP	NA	NA
+C09219	Leurosine	C46H56N4O9	808.4047	NA	KEGG	NA	NA
+MJ095065	Catharanthamine 	C46H56N4O9	808.404729	NA	MeJP	NA	NA
+MJ095066	Leurosine 	C46H56N4O9	808.404729	NA	MeJP	NA	NA
+MJ095067	Roseadine 	C46H56N4O9	808.404729	NA	MeJP	NA	NA
+MJ095068	Vincathicine 	C46H56N4O9	808.404729	NA	MeJP	NA	NA
+MJ095069	Vincristine; 4'-Deoxy, 4'-epimer 	C46H56N4O9	808.404729	NA	MeJP	NA	NA
+PJ040684	GSCKKMR 	C31H60N12O9S2	808.4048	NA	PeJP	NA	NA
+PJ040685	GLMFRW 	C39H56N10O7S	808.4055	NA	PeJP	NA	NA
+PJ040686	SSSSKKW 	C35H56N10O12	808.4079	NA	PeJP	NA	NA
+PJ040687	VDKERY 	C35H56N10O12	808.408	NA	PeJP	NA	NA
+PJ040688	PKMMFR 	C36H60N10O7S2	808.4088	NA	PeJP	NA	NA
+MJ095070	2,6,10-Farnesatrien-1-ol, O-[?-L-Arabinopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)][?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C38H64O18	808.409265	NA	MeJP	NA	NA
+PJ040689	VNHHFR 	C36H52N14O8	808.4093	NA	PeJP	NA	NA
+PJ040690	STTTLMR 	C32H60N10O12S	808.4113	NA	PeJP	NA	NA
+PJ040691	ALKEYW 	C40H56N8O10	808.412	NA	PeJP	NA	NA
+PJ040692	LKMMMR 	C33H64N10O7S3	808.4122	NA	PeJP	NA	NA
+PJ040693	TKMHHR 	C33H56N14O8S	808.4127	NA	PeJP	NA	NA
+PJ040694	GPTLKMY 	C37H60N8O10S	808.4153	NA	PeJP	NA	NA
+PJ040695	GGGVLLMY 	C37H60N8O10S	808.4154	NA	PeJP	NA	NA
+PJ040696	SSSTTTLL 	C33H60N8O15	808.4178	NA	PeJP	NA	NA
+PJ040697	SSLLKMM 	C34H64N8O10S2	808.4187	NA	PeJP	NA	NA
+PJ040698	SVERRY 	C34H56N12O11	808.4192	NA	PeJP	NA	NA
+PJ040699	GHHFRR 	C35H52N16O7	808.4205	NA	PeJP	NA	NA
+PJ040700	SSTCKKR 	C31H60N12O11S	808.4225	NA	PeJP	NA	NA
+PJ040701	ATLRYW 	C39H56N10O9	808.4232	NA	PeJP	NA	NA
+MJ095071	20,24-Epoxy-3,16,25-trihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095072	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095073	3,21,24-Trihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-(D-Glucuronosyl-L-rhamnoside) 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095074	3-Hydroxy-12,20(30)-ursadiene-27,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095075	3-Hydroxy-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl(1?2)-?-D-glucuronate] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095076	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095077	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095078	9(11),12-Oleanadiene-3,21,29-triol, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095079	Abrusogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095080	Bryostatin 10 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095081	Chiisanogenin; [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095082	Gitaloxigenin; 3-O-[D-Digitoxopyranosyl-(1?4)-D-digitoxopyranosyl-(1?4)-D-digitoxopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095083	Glaucogenin A; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095084	Glaucogenin A; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-sarmentopyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095085	Glaucogenin A; 3-O-[?-L-Cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-oleandropyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095086	Glaucogenin A; 3-O-?-L-Cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-L-cymaropyranoside 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095087	Glaucogenin C; 3-O-[?-D-Cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] 	C42H64O15	808.424521	NA	MeJP	NA	NA
+MJ095088	Glaucogenin C; 3-O-?-L-Cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-thevetopyranoside 	C42H64O15	808.424521	NA	MeJP	NA	NA
+PJ040702	VLQMRY 	C36H60N10O9S	808.4266	NA	PeJP	NA	NA
+MJ095089	Seglitide 	C44H56N8O7	808.427196	NA	MeJP	NA	NA
+PJ040703	VLHFFF 	C44H56N8O7	808.4272	NA	PeJP	NA	NA
+3276	NA	KPGEPGPK	808.428	celiac toxic	Inhouse_peptide	NA	peptide
+PJ040704	GSSTTTKK 	C32H60N10O14	808.4291	NA	PeJP	NA	NA
+PJ040705	ATCKKKM 	C33H64N10O9S2	808.4299	NA	PeJP	NA	NA
+PJ040706	GSKKKMM 	C33H64N10O9S2	808.43	NA	PeJP	NA	NA
+PJ040707	GSPQKHR 	C33H56N14O10	808.4304	NA	PeJP	NA	NA
+MJ095090	Bottromycin B2 	C41H60N8O7S	808.430567	NA	MeJP	NA	NA
+PJ040708	VVKMFW 	C41H60N8O7S	808.4306	NA	PeJP	NA	NA
+PJ040709	LKKEEY 	C37H60N8O12	808.4331	NA	PeJP	NA	NA
+PJ040710	PTLHRW 	C38H56N12O8	808.4344	NA	PeJP	NA	NA
+PJ040711	GGPKKHW 	C38H56N12O8	808.4345	NA	PeJP	NA	NA
+PJ040712	ALMRRY 	C35H60N12O8S	808.4378	NA	PeJP	NA	NA
+MJ095091	Cypridina Biluciferyl 	C44H52N14O2	808.439766	NA	MeJP	NA	NA
+PJ040713	VNQHRR 	C32H56N16O9	808.4417	NA	PeJP	NA	NA
+PJ040714	TLKERY 	C36H60N10O11	808.4443	NA	PeJP	NA	NA
+PJ040715	GGALLLEH 	C36H60N10O11	808.4444	NA	PeJP	NA	NA
+PJ040716	PPHFRR 	C37H56N14O7	808.4457	NA	PeJP	NA	NA
+PJ040717	SSTKKKM 	C33H64N10O11S	808.4477	NA	PeJP	NA	NA
+PJ040718	SLLKYW 	C41H60N8O9	808.4484	NA	PeJP	NA	NA
+PJ040719	PLMHRR 	C34H60N14O7S	808.449	NA	PeJP	NA	NA
+PJ040720	AALLKMY 	C38H64N8O9S	808.4517	NA	PeJP	NA	NA
+PJ040721	GQHRRR 	C31H56N18O8	808.4529	NA	PeJP	NA	NA
+PJ040722	TTLRRY 	C35H60N12O10	808.4556	NA	PeJP	NA	NA
+PJ040723	GKKKYW 	C40H60N10O8	808.4596	NA	PeJP	NA	NA
+MJ095092	12-Oleanene-3,16,21,22,23,28-hexol, 21-O-(2S-Methylbutanoyl), 3-O-?-D-glucuronopyranoside, 28-Ac 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095093	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone, 24-O-[?-L-2-O-acetylarabinofuranosyl-(1?2)-?-D-glucopyranoside] 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095094	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-?-D-6-O-acetylglucopyranoside] 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095095	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095096	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-(2-O-Acetyl-?-L-arabinopyranoside), ?-D-glucopyranosyl ester 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095097	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-?-L-Rhamnopyranoside, 29-O-?-D-glucopyranosyl ester, 28-Me ester 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095098	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside], 6'-Me ester 	C43H68O14	808.460906	NA	MeJP	NA	NA
+MJ095099	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 6'-Me ester 	C43H68O14	808.460906	NA	MeJP	NA	NA
+PJ040724	VLKMRY 	C37H64N10O8S	808.463	NA	PeJP	NA	NA
+PJ040725	VLEHRR 	C34H60N14O9	808.4668	NA	PeJP	NA	NA
+PJ040726	ATTLLKY 	C38H64N8O11	808.4695	NA	PeJP	NA	NA
+PJ040727	VVLHRW 	C39H60N12O7	808.4708	NA	PeJP	NA	NA
+PJ040728	CKKKFR 	C36H64N12O7S	808.4742	NA	PeJP	NA	NA
+PJ040729	PPQRRR 	C33H60N16O8	808.478	NA	PeJP	NA	NA
+PJ040730	DKKKKY 	C37H64N10O10	808.4807	NA	PeJP	NA	NA
+PJ040731	APPLLLW 	C42H64N8O8	808.4847	NA	PeJP	NA	NA
+PJ040732	APPIILW 	C42H64N8O8	808.4848	NA	PeJP	NA	NA
+MJ095100	Chevalierin A 	C39H68N8O8S	808.488081	NA	MeJP	NA	NA
+PJ040733	GKHRRR 	C32H60N18O7	808.4893	NA	PeJP	NA	NA
+PJ040734	SKKKRY 	C36H64N12O9	808.492	NA	PeJP	NA	NA
+PJ040735	LLLKHW 	C41H64N10O7	808.496	NA	PeJP	NA	NA
+MJ095101	Concanamycin B; 4'-Decarbamoyl 	C44H72O13	808.497292	NA	MeJP	NA	NA
+MJ095102	Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 16-O-(6-O-acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside 	C44H72O13	808.497292	NA	MeJP	NA	NA
+MJ095103	Formamicin 	C44H72O13	808.497292	NA	MeJP	NA	NA
+PJ040736	KKKKMF 	C38H68N10O7S	808.4993	NA	PeJP	NA	NA
+PJ040737	GPPVKRR 	C35H64N14O8	808.5032	NA	PeJP	NA	NA
+PJ040738	PPLLLKE 	C39H68N8O10	808.5059	NA	PeJP	NA	NA
+HMDB09779	PI(16:0/16:1(9Z))	C41H77O13P	808.510193	NA	HMDB2010	NA	NA
+HMDB09797	PI(16:1(9Z)/16:0)	C41H77O13P	808.510193	NA	HMDB2010	NA	NA
+PJ040739	PPKRRR 	C34H64N16O7	808.5144	NA	PeJP	NA	NA
+PJ040740	PPTLLLR 	C38H68N10O9	808.5171	NA	PeJP	NA	NA
+PJ040741	APPLKKR 	C37H68N12O8	808.5283	NA	PeJP	NA	NA
+PJ040742	LKKKHR 	C36H68N14O7	808.5396	NA	PeJP	NA	NA
+PJ040743	PLLLLLQ 	C40H72N8O9	808.5423	NA	PeJP	NA	NA
+PJ040744	PVVLLLR 	C39H72N10O8	808.5535	NA	PeJP	NA	NA
+PJ040745	PLLLLLK 	C41H76N8O8	808.5787	NA	PeJP	NA	NA
+EUR1100	SM(d18:1/22:0) [M+Na]+	C45H91N2O6P	808.643422	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1100	SM(d18:1/22:0) [M+Na]+	C45H91N2O6P	808.643422	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1100	SM(d18:1/22:0) [M+Na]+	C45H91N2O6P	808.643422	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1100	SM(d18:1/22:0) [M+Na]+	C45H91N2O6P	808.643422	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095104	20(29)-Lupene-3,7,15-triol, 3-Tetracosanoyl 	C54H96O4	808.730861	NA	MeJP	NA	NA
+MJ095105	Acetyl-CoA 	C23H38N7O17P3S	809.125773	NA	MeJP	NA	NA
+MetaCyc04150	acetyl-CoA [acetyl coenzyme-A;ac-CoA;acetylcoenzyme-A;acetyl-S-CoA;ac-S-CoA;]	C23H38N7O17P3S1	809.125773	72-89-9	metacyc	NA	NA
+HMDB01206	Acetyl-CoA	C23H38N7O17P3S	809.12579	http://www.hmdb.ca/metabolites/HMDB01206	HMDB	NA	NA
+HMDB01206	Acetyl-CoA	C23H38N7O17P3S	809.12579	HMDB01206	PFEM_hmdb_metabocards_official	NA	NA
+LABER080	AcetylCoa	NA	809.125793	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER080	AcetylCoa	NA	809.125793	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER080	AcetylCoa	NA	809.125793	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER080	AcetylCoa	NA	809.125793	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER080	AcetylCoa	NA	809.125793	NA	HMDB	NA	NA
+HMDB01206	Acetyl-CoA	C23H38N7O17P3S	809.125793	NA	HMDB2010	NA	NA
+LABER080	AcetylCoa	NA	809.125793	NA	Inhouse_PFEM	NA	NA
+LABER080	AcetylCoa	NA	809.125793	NA	Inhousejuil11	NA	NA
+LABER080	AcetylCoa	NA	809.125793	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER080	AcetylCoa	NA	809.125793	NA	PFEM_hmdb_metabocards_official	NA	NA
+C00024	Acetyl-CoA	C23H38N7O17P3S	809.1258	NA	KEGG	NA	NA
+PJ040746	CCCCCEF 	C29H43N7O10S5	809.1675	NA	PeJP	NA	NA
+PJ040747	CCCDDDH 	C27H39N9O14S3	809.1779	NA	PeJP	NA	NA
+PJ040748	SCCCCEY 	C29H43N7O12S4	809.1853	NA	PeJP	NA	NA
+PJ040749	GCCCMMY 	C30H47N7O9S5	809.2039	NA	PeJP	NA	NA
+PJ040750	CCCCNQH 	C27H43N11O10S4	809.2078	NA	PeJP	NA	NA
+PJ040751	CNNDDDD 	C27H39N9O18S	809.2134	NA	PeJP	NA	NA
+PJ040752	SCCDDMH 	C28H43N9O13S3	809.2143	NA	PeJP	NA	NA
+PJ040753	GCCCDFY 	C33H43N7O11S3	809.2183	NA	PeJP	NA	NA
+PJ040754	SDDDDDE 	C28H39N7O21	809.2199	NA	PeJP	NA	NA
+PJ040755	PCDDDDM 	C29H43N7O16S2	809.2208	NA	PeJP	NA	NA
+PJ040756	STCCCMY 	C30H47N7O11S4	809.2217	NA	PeJP	NA	NA
+PJ040757	GSSCCCNH 	C27H43N11O12S3	809.2255	NA	PeJP	NA	NA
+PJ040758	GSPCCNDD 	C28H43N9O15S2	809.232	NA	PeJP	NA	NA
+PJ040759	GGGSPCCDD 	C28H43N9O15S2	809.2321	NA	PeJP	NA	NA
+PJ040760	GCCEMMH 	C29H47N9O10S4	809.2329	NA	PeJP	NA	NA
+PJ040761	GSCCDYY 	C33H43N7O13S2	809.2361	NA	PeJP	NA	NA
+PJ040762	GCCCMFF 	C34H47N7O8S4	809.2369	NA	PeJP	NA	NA
+PJ040763	GDDDEEM 	C29H43N7O18S	809.2386	NA	PeJP	NA	NA
+PJ040764	CCNNNNE 	C27H43N11O14S2	809.2433	NA	PeJP	NA	NA
+PJ040765	CCCCNKH 	C28H47N11O9S4	809.2441	NA	PeJP	NA	NA
+PJ040766	GGCCCCKH 	C28H47N11O9S4	809.2442	NA	PeJP	NA	NA
+PJ040767	GCCDEHF 	C32H43N9O12S2	809.2473	NA	PeJP	NA	NA
+PJ040768	CCMMHW 	C33H47N9O7S4	809.2482	NA	PeJP	NA	NA
+PJ040769	SNNDDDM 	C28H43N9O17S	809.2498	NA	PeJP	NA	NA
+PJ040770	SSCDMMH 	C29H47N9O12S3	809.2507	NA	PeJP	NA	NA
+PJ040771	ACCCHHH 	C30H43N13O8S3	809.252	NA	PeJP	NA	NA
+PJ040772	DDDEMW 	C33H43N7O15S	809.2538	NA	PeJP	NA	NA
+PJ040773	CCQMYY 	C34H47N7O10S3	809.2547	NA	PeJP	NA	NA
+PJ040774	SSDDEEE 	C29H43N7O20	809.2563	NA	PeJP	NA	NA
+PJ040775	SPDDDMM 	C30H47N7O15S2	809.2572	NA	PeJP	NA	NA
+PJ040776	GDDDDHH 	C30H39N11O16	809.2577	NA	PeJP	NA	NA
+PJ040777	PPCCEMM 	C31H51N7O10S4	809.2581	NA	PeJP	NA	NA
+PJ040778	GCCNNNW 	C31H43N11O11S2	809.2585	NA	PeJP	NA	NA
+PJ040779	GGGGGGGCCW 	C31H43N11O11S2	809.2586	NA	PeJP	NA	NA
+PJ040780	GSSCNNND 	C27H43N11O16S	809.261	NA	PeJP	NA	NA
+PJ040781	GGGGGGGSSCD 	C27H43N11O16S	809.2611	NA	PeJP	NA	NA
+PJ040782	PCCCNDR 	C28H47N11O11S3	809.2619	NA	PeJP	NA	NA
+PJ040783	CCDHFW 	C36H43N9O9S2	809.2625	NA	PeJP	NA	NA
+PJ040784	ASCNDDW 	C32H43N9O14S	809.265	NA	PeJP	NA	NA
+PJ040785	GSCNDEW 	C32H43N9O14S	809.2651	NA	PeJP	NA	NA
+PJ040786	GPCCNMW 	C33H47N9O9S3	809.2659	NA	PeJP	NA	NA
+PJ040787	ASSSNDDD 	C28H43N9O19	809.2675	NA	PeJP	NA	NA
+PJ040788	GSSSNDDE 	C28H43N9O19	809.2676	NA	PeJP	NA	NA
+PJ040789	GNNDEMM 	C29H47N9O14S2	809.2684	NA	PeJP	NA	NA
+PJ040790	GTCMMMH 	C30H51N9O9S4	809.2693	NA	PeJP	NA	NA
+PJ040791	SSCCHHH 	C30H43N13O10S2	809.2698	NA	PeJP	NA	NA
+PJ040792	GPDDDEY 	C33H43N7O17	809.2716	NA	PeJP	NA	NA
+PJ040793	GSSCMYY 	C34H47N7O12S2	809.2724	NA	PeJP	NA	NA
+PJ040794	ASDEEEM 	C30H47N7O17S	809.2749	NA	PeJP	NA	NA
+PJ040795	GSEEEEM 	C30H47N7O17S	809.275	NA	PeJP	NA	NA
+PJ040796	GPDEMMM 	C31H51N7O12S3	809.2758	NA	PeJP	NA	NA
+PJ040797	SPCDDHH 	C31H43N11O13S	809.2763	NA	PeJP	NA	NA
+PJ040798	SCNNNQM 	C28H47N11O13S2	809.2796	NA	PeJP	NA	NA
+PJ040799	GCNDDMR 	C28H47N11O13S2	809.2797	NA	PeJP	NA	NA
+PJ040800	SCNDWW 	C36H43N9O11S	809.2803	NA	PeJP	NA	NA
+PJ040801	SSSNDDW 	C32H43N9O16	809.2828	NA	PeJP	NA	NA
+PJ040802	NNDMMW 	C33H47N9O11S2	809.2837	NA	PeJP	NA	NA
+PJ040803	SSNNEEM 	C29H47N9O16S	809.2862	NA	PeJP	NA	NA
+PJ040804	PDDDYW 	C37H43N7O14	809.2868	NA	PeJP	NA	NA
+PJ040805	SSSMMMH 	C30H51N9O11S3	809.287	NA	PeJP	NA	NA
+PJ040806	GGSPCQMM 	C30H51N9O11S3	809.2871	NA	PeJP	NA	NA
+PJ040807	GCNNEHH 	C30H43N13O12S	809.2875	NA	PeJP	NA	NA
+PJ040808	CCQFFY 	C38H47N7O9S2	809.2877	NA	PeJP	NA	NA
+MJ095106	Perdeacylalatusamine; 1-Benzoyl, 6,8,9,14-tetra-Ac 	C41H47NO16	809.289484	NA	MeJP	NA	NA
+PJ040809	SEEEMW 	C34H47N7O14S	809.2902	NA	PeJP	NA	NA
+PJ040810	SCCNNNR 	C27H47N13O12S2	809.2909	NA	PeJP	NA	NA
+PJ040811	PDMMMW 	C35H51N7O9S3	809.2911	NA	PeJP	NA	NA
+PJ040812	SSTEEEE 	C30H47N7O19	809.2927	NA	PeJP	NA	NA
+PJ040813	AAEEEMM 	C31H51N7O14S2	809.2936	NA	PeJP	NA	NA
+PJ040814	GNNNNDY 	C31H43N11O15	809.294	NA	PeJP	NA	NA
+PJ040815	GGGGGNNDY 	C31H43N11O15	809.2941	NA	PeJP	NA	NA
+PJ040816	PPTCMMM 	C32H55N7O9S4	809.2944	NA	PeJP	NA	NA
+PJ040817	CCNERW 	C32H47N11O10S2	809.2949	NA	PeJP	NA	NA
+PJ040818	SSCNDER 	C28H47N11O15S	809.2974	NA	PeJP	NA	NA
+PJ040819	NNDDFW 	C36H43N9O13	809.2981	NA	PeJP	NA	NA
+PJ040820	SPCCNMR 	C29H51N11O10S3	809.2983	NA	PeJP	NA	NA
+PJ040821	GCQMWW 	C37H47N9O8S2	809.2989	NA	PeJP	NA	NA
+MJ095107	Antibiotic FCE 21424; 1'',3''-Di-Me 	C40H47N3O15	809.300717	NA	MeJP	NA	NA
+PJ040822	GSSNEMW 	C33H47N9O13S	809.3014	NA	PeJP	NA	NA
+PJ040823	GGGGGPDMY 	C33H47N9O13S	809.3015	NA	PeJP	NA	NA
+PJ040824	APCCCKW 	C34H51N9O8S3	809.3023	NA	PeJP	NA	NA
+PJ040825	CNNHHW 	C34H43N13O9S	809.3028	NA	PeJP	NA	NA
+PJ040826	GSSSSQEE 	C29H47N9O18	809.3039	NA	PeJP	NA	NA
+MJ095108	Taxol?; 10-De-Ac, 10-ketone 	C45H47NO13	809.30474	NA	MeJP	NA	NA
+MJ095109	Taxol?; 7-Epimer, 10-de-Ac, 10-ketone 	C45H47NO13	809.30474	NA	MeJP	NA	NA
+PJ040827	DEEMMR 	C30H51N9O13S2	809.3048	NA	PeJP	NA	NA
+PJ040828	SSNNDHH 	C30H43N13O14	809.3053	NA	PeJP	NA	NA
+PJ040829	GNMYYY 	C38H47N7O11S	809.3054	NA	PeJP	NA	NA
+PJ040830	PDDMFW 	C38H47N7O11S	809.3055	NA	PeJP	NA	NA
+PJ040831	GSPEEEY 	C34H47N7O16	809.308	NA	PeJP	NA	NA
+PJ040832	VDEMMW 	C35H51N7O11S2	809.3088	NA	PeJP	NA	NA
+PJ040833	SDEHHW 	C35H43N11O12	809.3093	NA	PeJP	NA	NA
+PJ040834	GCCRWW 	C36H47N11O7S2	809.3102	NA	PeJP	NA	NA
+PJ040835	ATTEEEM 	C31H51N7O16S	809.3113	NA	PeJP	NA	NA
+PJ040836	APTEMMM 	C32H55N7O11S3	809.3122	NA	PeJP	NA	NA
+PJ040837	GSSCDRW 	C32H47N11O12S	809.3127	NA	PeJP	NA	NA
+PJ040838	GSSSSDDR 	C28H47N11O17	809.3152	NA	PeJP	NA	NA
+PJ040839	GSNDMMR 	C29H51N11O12S2	809.316	NA	PeJP	NA	NA
+PJ040840	GGGSDMMR 	C29H51N11O12S2	809.3161	NA	PeJP	NA	NA
+PJ040841	SSNMWW 	C37H47N9O10S	809.3167	NA	PeJP	NA	NA
+PJ040842	SSSSQEW 	C33H47N9O15	809.3192	NA	PeJP	NA	NA
+PJ040843	SQQMMW 	C34H51N9O10S2	809.32	NA	PeJP	NA	NA
+PJ040844	TNQMMW 	C34H51N9O10S2	809.3201	NA	PeJP	NA	NA
+PJ040845	SSTQQEM 	C30H51N9O15S	809.3225	NA	PeJP	NA	NA
+PJ040846	SSNDKEM 	C30H51N9O15S	809.3226	NA	PeJP	NA	NA
+PJ040847	SPEEYW 	C38H47N7O13	809.3232	NA	PeJP	NA	NA
+PJ040848	AAQQMMM 	C31H55N9O10S3	809.3234	NA	PeJP	NA	NA
+PJ040849	GGGGGLMMM 	C31H55N9O10S3	809.3235	NA	PeJP	NA	NA
+PJ040850	DDMHHR 	C31H47N13O11S	809.3239	NA	PeJP	NA	NA
+PJ040851	CCKFFY 	C39H51N7O8S2	809.3241	NA	PeJP	NA	NA
+MJ095110	Aclacinomycin B 	C42H51NO15	809.325869	NA	MeJP	NA	NA
+MJ095111	Aclacinomycin Y 	C42H51NO15	809.325869	NA	MeJP	NA	NA
+PJ040852	AAPEEMY 	C35H51N7O13S	809.3266	NA	PeJP	NA	NA
+PJ040853	GSCCERR 	C28H51N13O11S2	809.3273	NA	PeJP	NA	NA
+PJ040854	GPPMMMF 	C36H55N7O8S3	809.3275	NA	PeJP	NA	NA
+PJ040855	AEMHHW 	C36H47N11O9S	809.3279	NA	PeJP	NA	NA
+PJ040856	TTTTEEE 	C31H51N7O18	809.3291	NA	PeJP	NA	NA
+PJ040857	PTTTEMM 	C32H55N7O13S2	809.3299	NA	PeJP	NA	NA
+PJ040858	GTLEEMM 	C32H55N7O13S2	809.33	NA	PeJP	NA	NA
+PJ040859	NNDERY 	C32H47N11O14	809.3304	NA	PeJP	NA	NA
+PJ040860	GGGGGGGGATY 	C32H47N11O14	809.3305	NA	PeJP	NA	NA
+PJ040861	GPLMMMM 	C33H59N7O8S4	809.3308	NA	PeJP	NA	NA
+PJ040862	SCQMRW 	C33H51N11O9S2	809.3313	NA	PeJP	NA	NA
+PJ040863	NEHHHH 	C33H43N15O10	809.3318	NA	PeJP	NA	NA
+PJ040864	ACHFFW 	C41H47N9O7S	809.332	NA	PeJP	NA	NA
+PJ040865	SSSNEMR 	C29H51N11O14S	809.3338	NA	PeJP	NA	NA
+PJ040866	GSSSTWW 	C37H47N9O12	809.3344	NA	PeJP	NA	NA
+PJ040867	GGAQEYW 	C37H47N9O12	809.3345	NA	PeJP	NA	NA
+PJ040868	NQMMMR 	C30H55N11O9S3	809.3347	NA	PeJP	NA	NA
+PJ040869	GSCNHHR 	C30H47N15O10S	809.3351	NA	PeJP	NA	NA
+PJ040870	GGGSCHHR 	C30H47N15O10S	809.3352	NA	PeJP	NA	NA
+PJ040871	GCKMWW 	C38H51N9O7S2	809.3353	NA	PeJP	NA	NA
+PJ040872	GSSDKMW 	C34H51N9O12S	809.3378	NA	PeJP	NA	NA
+MJ095112	Virginiamycin S4 	C42H47N7O10	809.33844	NA	MeJP	NA	NA
+PJ040873	GNFFYY 	C42H47N7O10	809.3385	NA	PeJP	NA	NA
+PJ040874	GSSSSKEE 	C30H51N9O17	809.3403	NA	PeJP	NA	NA
+PJ040875	GSQKEMM 	C31H55N9O12S2	809.3412	NA	PeJP	NA	NA
+PJ040876	SSTNQHH 	C31H47N13O13	809.3416	NA	PeJP	NA	NA
+PJ040877	GPNDDHR 	C31H47N13O13	809.3417	NA	PeJP	NA	NA
+PJ040878	PVDMYW 	C39H51N7O10S	809.3418	NA	PeJP	NA	NA
+PJ040879	GPPDMFF 	C39H51N7O10S	809.3419	NA	PeJP	NA	NA
+PJ040880	SCCRRW 	C32H51N13O8S2	809.3425	NA	PeJP	NA	NA
+PJ040881	LQEEEY 	C35H51N7O15	809.3443	NA	PeJP	NA	NA
+PJ040882	GALEEEY 	C35H51N7O15	809.3444	NA	PeJP	NA	NA
+PJ040883	SSSCDRR 	C28H51N13O13S	809.345	NA	PeJP	NA	NA
+PJ040884	TLEMMW 	C36H55N7O10S2	809.3452	NA	PeJP	NA	NA
+PJ040885	GNDRYW 	C36H47N11O11	809.3457	NA	PeJP	NA	NA
+PJ040886	CNMMRR 	C29H55N13O8S3	809.3459	NA	PeJP	NA	NA
+PJ040887	GHHHHW 	C37H43N15O7	809.347	NA	PeJP	NA	NA
+PJ040888	STTLEEM 	C32H55N7O15S	809.3477	NA	PeJP	NA	NA
+PJ040889	GVLEMMM 	C33H59N7O10S3	809.3486	NA	PeJP	NA	NA
+PJ040890	GSSSMRW 	C33H51N11O11S	809.349	NA	PeJP	NA	NA
+PJ040891	GSPCQRY 	C33H51N11O11S	809.3491	NA	PeJP	NA	NA
+PJ040892	QQYWW 	C41H47N9O9	809.3497	NA	PeJP	NA	NA
+PJ040893	SSSSSNNK 	C29H51N11O16	809.3515	NA	PeJP	NA	NA
+PJ040894	GSSSSTER 	C29H51N11O16	809.3516	NA	PeJP	NA	NA
+PJ040895	GSTQMMR 	C30H55N11O11S2	809.3524	NA	PeJP	NA	NA
+PJ040896	STCKWW 	C38H51N9O9S	809.3531	NA	PeJP	NA	NA
+PJ040897	SSSSKEW 	C34H51N9O14	809.3556	NA	PeJP	NA	NA
+MJ095113	Rifamexil 	C42H55N3O11S	809.35573	NA	MeJP	NA	NA
+PJ040898	SQKMMW 	C35H55N9O9S2	809.3564	NA	PeJP	NA	NA
+PJ040899	GGTKMMW 	C35H55N9O9S2	809.3565	NA	PeJP	NA	NA
+PJ040900	NQQHHF 	C35H47N13O10	809.3569	NA	PeJP	NA	NA
+PJ040901	SSTQKEM 	C31H55N9O14S	809.3589	NA	PeJP	NA	NA
+PJ040902	GGSTTKEM 	C31H55N9O14S	809.359	NA	PeJP	NA	NA
+PJ040903	ALEEYW 	C39H51N7O12	809.3596	NA	PeJP	NA	NA
+PJ040904	LEMMMR 	C32H59N9O9S3	809.3598	NA	PeJP	NA	NA
+PJ040905	CNDFRR 	C32H51N13O10S	809.3603	NA	PeJP	NA	NA
+PJ040906	PVMMFW 	C40H55N7O7S2	809.3605	NA	PeJP	NA	NA
+PJ040907	GPQHWW 	C40H47N11O8	809.3609	NA	PeJP	NA	NA
+PJ040908	GGAPHWW 	C40H47N11O8	809.361	NA	PeJP	NA	NA
+PJ040909	GPTLEMY 	C36H55N7O12S	809.363	NA	PeJP	NA	NA
+PJ040910	GSTCMRR 	C29H55N13O10S2	809.3637	NA	PeJP	NA	NA
+PJ040911	VLMMMW 	C37H59N7O7S3	809.3638	NA	PeJP	NA	NA
+PJ040912	GNMFRW 	C37H51N11O8S	809.3643	NA	PeJP	NA	NA
+PJ040913	SSLLEMM 	C33H59N7O12S2	809.3663	NA	PeJP	NA	NA
+PJ040914	SSSSTRW 	C33H51N11O13	809.3668	NA	PeJP	NA	NA
+PJ040915	SCKMRW 	C34H55N11O8S2	809.3677	NA	PeJP	NA	NA
+PJ040916	DKHHHH 	C34H47N15O9	809.3682	NA	PeJP	NA	NA
+PJ040917	SSSDKMR 	C30H55N11O13S	809.3702	NA	PeJP	NA	NA
+PJ040918	GQKEYW 	C38H51N9O11	809.3708	NA	PeJP	NA	NA
+PJ040919	GGAPPPEW 	C38H51N9O11	809.3709	NA	PeJP	NA	NA
+PJ040920	NKMMMR 	C31H59N11O8S3	809.3711	NA	PeJP	NA	NA
+PJ040921	PPHHHW 	C39H47N13O7	809.3722	NA	PeJP	NA	NA
+PJ040922	GSTTKMW 	C35H55N9O11S	809.3742	NA	PeJP	NA	NA
+MJ095114	Virginiamycin S1; 4'-Deoxo 	C43H51N7O9	809.374826	NA	MeJP	NA	NA
+PJ040923	PPTFYW 	C43H51N7O9	809.3749	NA	PeJP	NA	NA
+PJ040924	GSSTTTKE 	C31H55N9O16	809.3767	NA	PeJP	NA	NA
+PJ040925	GSKKEMM 	C32H59N9O11S2	809.3776	NA	PeJP	NA	NA
+PJ040926	SNDRRY 	C32H51N13O12	809.378	NA	PeJP	NA	NA
+PJ040927	GGGPTEHR 	C32H51N13O12	809.3781	NA	PeJP	NA	NA
+PJ040928	PTLMYW 	C40H55N7O9S	809.3782	NA	PeJP	NA	NA
+PJ040929	VMMHHR 	C33H55N13O7S2	809.3789	NA	PeJP	NA	NA
+2687	NA	GGCADGPTLREWISFCGG	809.37895	MH2+	Inhouse_peptide	NA	peptide
+PJ040930	SHHHHR 	C33H47N17O8	809.3794	NA	PeJP	NA	NA
+PJ040931	LKEEEY 	C36H55N7O14	809.3807	NA	PeJP	NA	NA
+PJ040932	SSSSMRR 	C29H55N13O12S	809.3814	NA	PeJP	NA	NA
+PJ040933	GPVLMMY 	C37H59N7O9S2	809.3816	NA	PeJP	NA	NA
+PJ040934	GTQRYW 	C37H51N11O10	809.3821	NA	PeJP	NA	NA
+PJ040935	ATLLMMM 	C34H63N7O9S3	809.385	NA	PeJP	NA	NA
+PJ040936	VNQMRY 	C34H55N11O10S	809.3854	NA	PeJP	NA	NA
+PJ040937	GGGGLMRY 	C34H55N11O10S	809.3855	NA	PeJP	NA	NA
+PJ040938	QKYWW 	C42H51N9O8	809.3861	NA	PeJP	NA	NA
+PJ040939	SSSSSSLR 	C30H55N11O15	809.3879	NA	PeJP	NA	NA
+PJ040940	GSTKMMR 	C31H59N11O10S2	809.3888	NA	PeJP	NA	NA
+PJ040941	NQQQHR 	C31H51N15O11	809.3893	NA	PeJP	NA	NA
+PJ040942	AQKMFW 	C39H55N9O8S	809.3895	NA	PeJP	NA	NA
+PJ040943	SSTTTKW 	C35H55N9O13	809.3919	NA	PeJP	NA	NA
+PJ040944	TLEERY 	C35H55N9O13	809.392	NA	PeJP	NA	NA
+PJ040945	SKKMMW 	C36H59N9O8S2	809.3928	NA	PeJP	NA	NA
+PJ040946	SPQHRW 	C36H51N13O9	809.3933	NA	PeJP	NA	NA
+PJ040947	SSTKKEM 	C32H59N9O13S	809.3953	NA	PeJP	NA	NA
+PJ040948	SLLEYW 	C40H55N7O11	809.396	NA	PeJP	NA	NA
+PJ040949	AAKKMMM 	C33H63N9O8S3	809.3962	NA	PeJP	NA	NA
+PJ040950	GQMRRY 	C33H55N13O9S	809.3967	NA	PeJP	NA	NA
+PJ040951	GPKHWW 	C41H51N11O7	809.3973	NA	PeJP	NA	NA
+PJ040952	SSPLLMY 	C37H59N7O11S	809.3993	NA	PeJP	NA	NA
+PJ040953	AALLEMY 	C37H59N7O11S	809.3994	NA	PeJP	NA	NA
+PJ040954	NNNHRR 	C30H51N17O10	809.4005	NA	PeJP	NA	NA
+PJ040955	ACKFRW 	C38H55N11O7S	809.4007	NA	PeJP	NA	NA
+PJ040956	TTTLLMM 	C34H63N7O11S2	809.4027	NA	PeJP	NA	NA
+PJ040957	SQKERY 	C34H55N11O12	809.4032	NA	PeJP	NA	NA
+PJ040958	SSTTKMR 	C31H59N11O12S	809.4066	NA	PeJP	NA	NA
+PJ040959	GKKEYW 	C39H55N9O10	809.4072	NA	PeJP	NA	NA
+PJ040960	GCRRRY 	C32H55N15O8S	809.4079	NA	PeJP	NA	NA
+PJ040961	VLEMRY 	C36H59N9O10S	809.4106	NA	PeJP	NA	NA
+PJ040962	PVVFYW 	C44H55N7O8	809.4112	NA	PeJP	NA	NA
+PJ040963	GPPVFFF 	C44H55N7O8	809.4113	NA	PeJP	NA	NA
+PJ040964	SSSSTTLK 	C32H59N9O15	809.4131	NA	PeJP	NA	NA
+PJ040965	ATTKKMM 	C33H63N9O10S2	809.414	NA	PeJP	NA	NA
+PJ040966	STQRRY 	C33H55N13O11	809.4144	NA	PeJP	NA	NA
+PJ040967	GGAALEHR 	C33H55N13O11	809.4145	NA	PeJP	NA	NA
+PJ040968	VVLMYW 	C41H59N7O8S	809.4146	NA	PeJP	NA	NA
+PJ040969	ATTLLEY 	C37H59N7O13	809.4171	NA	PeJP	NA	NA
+PJ040970	GVLLMMF 	C38H63N7O8S2	809.418	NA	PeJP	NA	NA
+PJ040971	GTKRYW 	C38H55N11O9	809.4185	NA	PeJP	NA	NA
+MJ095115	Protoverine; 3-[(2S,3R)-2,3-Dihydroxy-2-methylbutanoyl], O6,O7-Di-Ac, O15-(R)-2-methylbutanoyl 	C41H63NO15	809.41977	NA	MeJP	NA	NA
+MJ095116	Protoverine; O6,O7-Di-Ac, O15-(R)-2-methylbutanoyl, O3-(+)-threo-2,3-dihydroxy-2-methylbutanoyl 	C41H63NO15	809.41977	NA	MeJP	NA	NA
+C10816	Protoveratrine B	C41H63NO15	809.4198	NA	KEGG	NA	NA
+PJ040972	VNKMRY 	C35H59N11O9S	809.4218	NA	PeJP	NA	NA
+PJ040973	KKYWW 	C43H55N9O7	809.4225	NA	PeJP	NA	NA
+PJ040974	VNEHRR 	C32H55N15O10	809.4257	NA	PeJP	NA	NA
+PJ040975	AKKMFW 	C40H59N9O7S	809.4259	NA	PeJP	NA	NA
+PJ040976	DKKKEY 	C36H59N9O12	809.4283	NA	PeJP	NA	NA
+PJ040977	GSVKKEY 	C36H59N9O12	809.4284	NA	PeJP	NA	NA
+PJ040978	LLMMFR 	C37H63N9O7S2	809.4292	NA	PeJP	NA	NA
+PJ040979	SPKHRW 	C37H55N13O8	809.4297	NA	PeJP	NA	NA
+8152	peptide derived from ovine aS2-casein (203û208)	PYVRYL	809.431	stimulating	Inhouse_peptide	NA	peptide
+8178	peptide derived from ovine aS2-casein (203û208)	PYVRYL	809.431	antibacterial	Inhouse_peptide	NA	peptide
+8262	f(203-208) of ovine alpha s2-casein	PYVRYL	809.431	NA  ;SYN:1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-Aminoethanesulfonic acid; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethylsulfonate; Aminoethylsulfonic acid; Taurine; b-Aminoethylsulfonate; b-Aminoethylsulfonic acid; beta-Aminoethylsulfonate; beta-Aminoethylsulfonic acidH2Bile; Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ040980	TTTTKKM 	C33H63N9O12S	809.4317	NA	PeJP	NA	NA
+PJ040981	AAPLLYY 	C41H59N7O10	809.4324	NA	PeJP	NA	NA
+PJ040982	GKMRRY 	C34H59N13O8S	809.4331	NA	PeJP	NA	NA
+PJ040983	GTLLLMY 	C38H63N7O10S	809.4357	NA	PeJP	NA	NA
+PJ040984	GEHRRR 	C31H55N17O9	809.4369	NA	PeJP	NA	NA
+PJ040985	SKKERY 	C35H59N11O11	809.4396	NA	PeJP	NA	NA
+PJ040986	GVHRRW 	C36H55N15O7	809.4409	NA	PeJP	NA	NA
+PJ040987	SVKKYW 	C40H59N9O9	809.4436	NA	PeJP	NA	NA
+PJ040988	LQKKMY 	C37H63N9O9S	809.447	NA	PeJP	NA	NA
+PJ040989	VVLFFW 	C45H59N7O7	809.4476	NA	PeJP	NA	NA
+MJ095117	Pimecrolimus 	C43H68ClNO11	809.448089	NA	MeJP	NA	NA
+PJ040990	STKRRY 	C34H59N13O10	809.4508	NA	PeJP	NA	NA
+PJ040991	HRRRW 	C35H55N17O6	809.4522	NA	PeJP	NA	NA
+PJ040992	STTLLLY 	C38H63N7O12	809.4535	NA	PeJP	NA	NA
+PJ040993	AAPPLRW 	C39H59N11O8	809.4548	NA	PeJP	NA	NA
+PJ040994	GPPVVRW 	C39H59N11O8	809.4549	NA	PeJP	NA	NA
+MJ095118	3,24-Dihydroxy-12-oleanen-29-oic acid, Amide, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H67NO14	809.456155	NA	MeJP	NA	NA
+PJ040995	CLKKRY 	C36H63N11O8S	809.4582	NA	PeJP	NA	NA
+PJ040996	PPERRR 	C33H59N15O9	809.4621	NA	PeJP	NA	NA
+PJ040997	GTTLKKY 	C37H63N9O11	809.4647	NA	PeJP	NA	NA
+PJ040998	AAPPVVKE 	C37H63N9O11	809.4648	NA	PeJP	NA	NA
+PJ040999	PPVRRW 	C38H59N13O7	809.4661	NA	PeJP	NA	NA
+PJ041000	AALLLFY 	C42H63N7O9	809.4688	NA	PeJP	NA	NA
+PJ041001	SVHRRR 	C32H59N17O8	809.4733	NA	PeJP	NA	NA
+PJ041002	APPLKER 	C36H63N11O10	809.476	NA	PeJP	NA	NA
+PJ041003	GPPLLKW 	C41H63N9O8	809.48	NA	PeJP	NA	NA
+PJ041004	LKKKMY 	C38H67N9O8S	809.4834	NA	PeJP	NA	NA
+PJ041005	APPTLRR 	C35H63N13O9	809.4872	NA	PeJP	NA	NA
+PJ041006	VLKKHW 	C40H63N11O7	809.4912	NA	PeJP	NA	NA
+MJ095119	Pitipeptolide A; 7,8-Dihydro 	C44H67N5O9	809.493878	NA	MeJP	NA	NA
+PJ041007	TLKHRR 	C34H63N15O8	809.4984	NA	PeJP	NA	NA
+HMDB09474	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H72NO8P	809.499573	NA	HMDB2010	NA	NA
+HMDB09698	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C47H72NO8P	809.499573	NA	HMDB2010	NA	NA
+PJ041008	TTLLLLH 	C38H67N9O10	809.5011	NA	PeJP	NA	NA
+PJ041009	SPPLLKR 	C37H67N11O9	809.5124	NA	PeJP	NA	NA
+PJ041010	LKKKFF 	C42H67N9O7	809.5164	NA	PeJP	NA	NA
+HMDB12394	PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C44H76NO10P	809.520691	NA	HMDB2010	NA	NA
+HMDB12404	PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C44H76NO10P	809.520691	NA	HMDB2010	NA	NA
+HMDB12424	PS(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	C44H76NO10P	809.520691	NA	HMDB2010	NA	NA
+HMDB12434	PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	C44H76NO10P	809.520691	NA	HMDB2010	NA	NA
+PJ041011	GPVLLRR 	C36H67N13O8	809.5236	NA	PeJP	NA	NA
+PJ041012	PLLLLLE 	C40H71N7O10	809.5263	NA	PeJP	NA	NA
+PJ041013	PLLRRR 	C35H67N15O7	809.5348	NA	PeJP	NA	NA
+PJ041014	PVLLLQK 	C39H71N9O9	809.5375	NA	PeJP	NA	NA
+PJ041015	APLLLKR 	C38H71N11O8	809.5487	NA	PeJP	NA	NA
+PJ041016	PVLLLKK 	C40H75N9O8	809.5739	NA	PeJP	NA	NA
+MJ095120	Diacylphosphatidylcarnitine; Dihexadecanoylphosphatidylcarnitine 	C42H84NO11P	809.578199	NA	MeJP	NA	NA
+EUR960	PC 36:1 [M+Na]+	C44H86NO8P	809.591053	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR960	PC 36:1 [M+Na]+	C44H86NO8P	809.591053	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR960	PC 36:1 [M+Na]+	C44H86NO8P	809.591053	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR960	PC 36:1 [M+Na]+	C44H86NO8P	809.591053	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07988	PC(16:0/22:4(7Z,10Z,13Z,16Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08048	PC(18:0/20:4(5Z,8Z,11Z,14Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08049	PC(18:0/20:4(8Z,11Z,14Z,17Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08079	PC(18:1(11Z)/20:3(5Z,8Z,11Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08080	PC(18:1(11Z)/20:3(8Z,11Z,14Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08112	PC(18:1(9Z)/20:3(5Z,8Z,11Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08113	PC(18:1(9Z)/20:3(8Z,11Z,14Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08145	PC(18:2(9Z,12Z)/20:2(11Z,14Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08176	PC(18:3(6Z,9Z,12Z)/20:1(11Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08209	PC(18:3(9Z,12Z,15Z)/20:1(11Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08241	PC(18:4(6Z,9Z,12Z,15Z)/20:0)	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08273	PC(20:0/18:4(6Z,9Z,12Z,15Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08304	PC(20:1(11Z)/18:3(6Z,9Z,12Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08305	PC(20:1(11Z)/18:3(9Z,12Z,15Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08336	PC(20:2(11Z,14Z)/18:2(9Z,12Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08367	PC(20:3(5Z,8Z,11Z)/18:1(11Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08368	PC(20:3(5Z,8Z,11Z)/18:1(9Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08400	PC(20:3(8Z,11Z,14Z)/18:1(11Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08401	PC(20:3(8Z,11Z,14Z)/18:1(9Z))	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08431	PC(20:4(5Z,8Z,11Z,14Z)/18:0)	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08464	PC(20:4(8Z,11Z,14Z,17Z)/18:0)	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+HMDB08626	PC(22:4(7Z,10Z,13Z,16Z)/16:0)	C46H84NO8P	809.593445	NA	HMDB2010	NA	NA
+MJ095121	Phosphatidylcholine; Glycerol 2-(5,8,11,14-eicosatetraenoate) 1-octadecanoate 3-phosphocholine 	C46H84NO8P	809.593455	NA	MeJP	NA	NA
+EUR994	PC 38:4 monoisotopic mass 	C46H84NO8P	809.593457	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR994	PC 38:4 monoisotopic mass 	C46H84NO8P	809.593457	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR994	PC 38:4 monoisotopic mass 	C46H84NO8P	809.593457	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR994	PC 38:4 monoisotopic mass 	C46H84NO8P	809.593457	masses lipides attendues	Inhousejuil11	NA	NA
+PJ041017	LLLLLLL 	C42H79N7O8	809.599	NA	PeJP	NA	NA
+PJ041018	IILLLLL 	C42H79N7O8	809.5991	NA	PeJP	NA	NA
+MJ095122	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside 	C47H87NO9	809.638083	NA	MeJP	NA	NA
+EUR1129	SM(d18:1/24:4) monoisotopic mass 	C47H90N2O6P	809.653651	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1129	SM(d18:1/24:4) monoisotopic mass 	C47H90N2O6P	809.653651	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1129	SM(d18:1/24:4) monoisotopic mass 	C47H90N2O6P	809.653651	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1129	SM(d18:1/24:4) monoisotopic mass 	C47H90N2O6P	809.653651	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095123	2-Amino-4-octadecene-1,3-diol, N-(15Z-Tetracosenoyl), 1-O-?-D-galactopyranoside 	C48H91NO8	809.674468	NA	MeJP	NA	NA
+HMDB04975	Glucosylceramide (d18:1/24:1(15Z))	C48H91NO8	809.6745	http://www.hmdb.ca/metabolites/HMDB04975	HMDB	NA	NA
+HMDB04975	Glucosylceramide (d18:1/24:1(15Z))	C48H91NO8	809.6745	HMDB04975	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04975	Glucosylceramide (d18:1/24:1(15Z))	C48H91NO8	809.6745	NA	HMDB2010	NA	NA
+HMDB10712	Galactosylceramide (d18:1/24:1(15Z))	C48H91NO8	809.6745	NA	HMDB2010	NA	NA
+PJ041019	ACCCCCCC 	C24H42N8O9S7	810.112	NA	PeJP	NA	NA
+PJ041020	SSCCCCCC 	C24H42N8O11S6	810.1298	NA	PeJP	NA	NA
+PJ041021	CCCCCNY 	C28H42N8O10S5	810.1628	NA	PeJP	NA	NA
+MJ095124	Cycleanine, Methobromide (1:2) 	C40H48Br2N2O6	810.187912	NA	MeJP	NA	NA
+PJ041022	CCCCNEH 	C27H42N10O11S4	810.1918	NA	PeJP	NA	NA
+MJ095125	myo-Inositol; Hexakis(3-pyridinecarbonyl) 	C42H30N6O12	810.19217	NA	MeJP	NA	NA
+PJ041023	CNDDDDD 	C27H38N8O19S	810.1974	NA	PeJP	NA	NA
+PJ041024	GCCCCHW 	C31H42N10O8S4	810.207	NA	PeJP	NA	NA
+PJ041025	GSSCCCDH 	C27H42N10O13S3	810.2095	NA	PeJP	NA	NA
+PJ041026	GSPCCDDD 	C28H42N8O16S2	810.2161	NA	PeJP	NA	NA
+PJ041027	GPPCCCCE 	C29H46N8O11S4	810.2169	NA	PeJP	NA	NA
+PJ041028	CCNNNDE 	C27H42N10O15S2	810.2273	NA	PeJP	NA	NA
+PJ041029	SCCCQMH 	C28H46N10O10S4	810.2281	NA	PeJP	NA	NA
+PJ041030	TCCCNMH 	C28H46N10O10S4	810.2282	NA	PeJP	NA	NA
+PJ041031	PPCCCCW 	C33H46N8O8S4	810.2322	NA	PeJP	NA	NA
+PJ041032	SNDDDDM 	C28H42N8O18S	810.2338	NA	PeJP	NA	NA
+PJ041033	PCCNDEM 	C29H46N8O13S3	810.2347	NA	PeJP	NA	NA
+PJ041034	CCEMYY 	C34H46N6O11S3	810.2387	NA	PeJP	NA	NA
+PJ041035	SCCCCHR 	C27H46N12O9S4	810.2394	NA	PeJP	NA	NA
+PJ041036	GCCNNDW 	C31H42N10O12S2	810.2425	NA	PeJP	NA	NA
+PJ041037	GGGCCNDW 	C31H42N10O12S2	810.2426	NA	PeJP	NA	NA
+PJ041038	GSSCNNDD 	C27H42N10O17S	810.245	NA	PeJP	NA	NA
+PJ041039	GGGSSCNDD 	C27H42N10O17S	810.2451	NA	PeJP	NA	NA
+PJ041040	PCCCDDR 	C28H46N10O12S3	810.2459	NA	PeJP	NA	NA
+PJ041041	GSCDDEW 	C32H42N8O15S	810.2491	NA	PeJP	NA	NA
+PJ041042	GPCCDMW 	C33H46N8O10S3	810.2499	NA	PeJP	NA	NA
+PJ041043	GSSSDDDE 	C28H42N8O20	810.2516	NA	PeJP	NA	NA
+PJ041044	GNDDEMM 	C29H46N8O15S2	810.2524	NA	PeJP	NA	NA
+PJ041045	GGGDDEMM 	C29H46N8O15S2	810.2525	NA	PeJP	NA	NA
+PJ041046	GPPTCCCM 	C30H50N8O10S4	810.2533	NA	PeJP	NA	NA
+MJ095126	Ussurienoside I; O-De-Me, 3'-O-[4-hydroxy-E-cinnamoyl-(?4)-?-D-glucopyranoside] 	C37H46O20	810.258243	NA	MeJP	NA	NA
+MJ095127	Ussurienoside I; O-De-Me, 3'-O-[4-hydroxy-Z-cinnamoyl-(?4)-?-D-glucopyranoside] 	C37H46O20	810.258243	NA	MeJP	NA	NA
+PJ041047	GCCNMHF 	C32H46N10O9S3	810.2612	NA	PeJP	NA	NA
+PJ041048	GCDDDMR 	C28H46N10O14S2	810.2637	NA	PeJP	NA	NA
+MJ095128	Xylohexaose 	C30H50O25	810.264117	NA	MeJP	NA	NA
+PJ041049	SCDDWW 	C36H42N8O12S	810.2643	NA	PeJP	NA	NA
+PJ041050	SCCCKMH 	C29H50N10O9S4	810.2645	NA	PeJP	NA	NA
+PJ041051	SSSDDDW 	C32H42N8O17	810.2668	NA	PeJP	NA	NA
+PJ041052	NDDMMW 	C33H46N8O12S2	810.2677	NA	PeJP	NA	NA
+PJ041053	SSNDEEM 	C29H46N8O17S	810.2702	NA	PeJP	NA	NA
+PJ041054	SPCNEMM 	C30H50N8O12S3	810.2711	NA	PeJP	NA	NA
+PJ041055	GCNDEHH 	C30H42N12O13S	810.2715	NA	PeJP	NA	NA
+PJ041056	GGGCDEHH 	C30H42N12O13S	810.2716	NA	PeJP	NA	NA
+PJ041057	PCCYYY 	C38H46N6O10S2	810.2717	NA	PeJP	NA	NA
+PJ041058	MMMMMH 	C31H54N8O7S5	810.2719	NA	PeJP	NA	NA
+MJ095129	Catalpol; 6-O-(2,3-Di-O-cinnamoyl-4-O-acetyl-?-L-rhamnopyranoside) 	C41H46O17	810.2735	NA	MeJP	NA	NA
+MJ095130	Catalpol; 6-O-(3,4-di-O-Cinnamoyl-2-O-acetyl-?-L-rhamnopyranoside) 	C41H46O17	810.2735	NA	MeJP	NA	NA
+PJ041059	SCCNNDR 	C27H46N12O13S2	810.2749	NA	PeJP	NA	NA
+PJ041060	TCMMYY 	C35H50N6O10S3	810.2751	NA	PeJP	NA	NA
+PJ041061	GNNNDDY 	C31H42N10O16	810.2781	NA	PeJP	NA	NA
+PJ041062	CCDERW 	C32H46N10O11S2	810.2789	NA	PeJP	NA	NA
+PJ041063	GGGGGGPCCF 	C32H46N10O11S2	810.279	NA	PeJP	NA	NA
+PJ041064	SSCDDER 	C28H46N10O16S	810.2814	NA	PeJP	NA	NA
+PJ041065	NDDDFW 	C36H42N8O14	810.2821	NA	PeJP	NA	NA
+PJ041066	SPCCDMR 	C29H50N10O11S3	810.2823	NA	PeJP	NA	NA
+PJ041067	ACDMWW 	C37H46N8O9S2	810.2829	NA	PeJP	NA	NA
+PJ041068	GCEMWW 	C37H46N8O9S2	810.283	NA	PeJP	NA	NA
+PJ041069	SSVCDDW 	C33H46N8O14S	810.2854	NA	PeJP	NA	NA
+PJ041070	GSSDEMW 	C33H46N8O14S	810.2855	NA	PeJP	NA	NA
+PJ041071	GSPCMMW 	C34H50N8O9S3	810.2863	NA	PeJP	NA	NA
+PJ041072	CNDHHW 	C34H42N12O10S	810.2868	NA	PeJP	NA	NA
+PJ041073	ASSSSDEE 	C29H46N8O19	810.2879	NA	PeJP	NA	NA
+PJ041074	GSSSSEEE 	C29H46N8O19	810.288	NA	PeJP	NA	NA
+PJ041075	GSQEEMM 	C30H50N8O14S2	810.2888	NA	PeJP	NA	NA
+PJ041076	SSNDDHH 	C30H42N12O15	810.2893	NA	PeJP	NA	NA
+PJ041077	GDMYYY 	C38H46N6O12S	810.2895	NA	PeJP	NA	NA
+PJ041078	GPNMMMM 	C31H54N8O9S4	810.2897	NA	PeJP	NA	NA
+PJ041079	SPCCQHH 	C31H46N12O10S2	810.2902	NA	PeJP	NA	NA
+PJ041080	EEEEEF 	C34H46N6O17	810.292	NA	PeJP	NA	NA
+PJ041081	GCCNQMR 	C28H50N12O10S3	810.2935	NA	PeJP	NA	NA
+PJ041082	GGGGACCMR 	C28H50N12O10S3	810.2936	NA	PeJP	NA	NA
+PJ041083	SSSCNQW 	C32H46N10O13S	810.2967	NA	PeJP	NA	NA
+PJ041084	ACCCKHF 	C33H50N10O8S3	810.2976	NA	PeJP	NA	NA
+PJ041085	CMWWW 	C41H46N8O6S2	810.2982	NA	PeJP	NA	NA
+PJ041086	SSSSSNNE 	C28H46N10O18	810.2992	NA	PeJP	NA	NA
+PJ041087	SSNNQMM 	C29H50N10O13S2	810.3	NA	PeJP	NA	NA
+PJ041088	GSDDMMR 	C29H50N10O13S2	810.3001	NA	PeJP	NA	NA
+PJ041089	SSDMWW 	C37H46N8O11S	810.3007	NA	PeJP	NA	NA
+PJ041090	APCCMMR 	C30H54N10O8S4	810.3009	NA	PeJP	NA	NA
+PJ041091	SSSSEEW 	C33H46N8O16	810.3032	NA	PeJP	NA	NA
+PJ041092	SQEMMW 	C34H50N8O11S2	810.3041	NA	PeJP	NA	NA
+PJ041093	GCCCNRR 	C27H50N14O9S3	810.3048	NA	PeJP	NA	NA
+PJ041094	CMHHHF 	C35H46N12O7S2	810.3054	NA	PeJP	NA	NA
+PJ041095	SSTQEEM 	C30H50N8O16S	810.3066	NA	PeJP	NA	NA
+PJ041096	SSEYYY 	C38H46N6O14	810.3072	NA	PeJP	NA	NA
+PJ041097	AAQEMMM 	C31H54N8O11S3	810.3074	NA	PeJP	NA	NA
+PJ041098	GVNEMMM 	C31H54N8O11S3	810.3075	NA	PeJP	NA	NA
+PJ041099	GSNEMHH 	C31H46N12O12S	810.3079	NA	PeJP	NA	NA
+PJ041100	GMMFYY 	C39H50N6O9S2	810.3081	NA	PeJP	NA	NA
+PJ041101	SSCNNMR 	C28H50N12O12S2	810.3113	NA	PeJP	NA	NA
+PJ041102	CNNQFW 	C36H46N10O10S	810.3119	NA	PeJP	NA	NA
+PJ041103	GGGGCQFW 	C36H46N10O10S	810.312	NA	PeJP	NA	NA
+PJ041104	GSSSSSNW 	C32H46N10O15	810.3144	NA	PeJP	NA	NA
+PJ041105	GGDDERY 	C32H46N10O15	810.3145	NA	PeJP	NA	NA
+PJ041106	SCEMRW 	C33H50N10O10S2	810.3153	NA	PeJP	NA	NA
+PJ041107	DEHHHH 	C33H42N14O11	810.3158	NA	PeJP	NA	NA
+PJ041108	GPCYWW 	C41H46N8O8S	810.316	NA	PeJP	NA	NA
+PJ041109	SSSDEMR 	C29H50N10O15S	810.3178	NA	PeJP	NA	NA
+PJ041110	GQEEYW 	C37H46N8O13	810.3185	NA	PeJP	NA	NA
+PJ041111	NEMMMR 	C30H54N10O10S3	810.3187	NA	PeJP	NA	NA
+PJ041112	GSCDHHR 	C30H46N14O11S	810.3192	NA	PeJP	NA	NA
+PJ041113	GTMMWW 	C38H50N8O8S2	810.3193	NA	PeJP	NA	NA
+PJ041114	GSTTEMW 	C34H50N8O13S	810.3218	NA	PeJP	NA	NA
+PJ041115	GGAAEEMF 	C34H50N8O13S	810.3219	NA	PeJP	NA	NA
+PJ041116	GDFFYY 	C42H46N6O11	810.3225	NA	PeJP	NA	NA
+PJ041117	VNMMMW 	C35H54N8O8S3	810.3227	NA	PeJP	NA	NA
+PJ041118	SNMHHW 	C35H46N12O9S	810.3232	NA	PeJP	NA	NA
+PJ041119	GSSTTTEE 	C30H50N8O18	810.3243	NA	PeJP	NA	NA
+PJ041120	GSKEEMM 	C31H54N8O13S2	810.3252	NA	PeJP	NA	NA
+PJ041121	GPDDDHR 	C31H46N12O14	810.3257	NA	PeJP	NA	NA
+PJ041122	ATMYYY 	C39H50N6O11S	810.3258	NA	PeJP	NA	NA
+PJ041123	APCKMMM 	C32H58N8O8S4	810.3261	NA	PeJP	NA	NA
+PJ041124	QQMMHH 	C32H50N12O9S2	810.3265	NA	PeJP	NA	NA
+PJ041125	GAQMMHH 	C32H50N12O9S2	810.3266	NA	PeJP	NA	NA
+PJ041126	LEEEEY 	C35H50N6O16	810.3284	NA	PeJP	NA	NA
+PJ041127	GSSSSCQR 	C28H50N12O14S	810.329	NA	PeJP	NA	NA
+PJ041128	GGASSSSCR 	C28H50N12O14S	810.3291	NA	PeJP	NA	NA
+PJ041129	GDDRYW 	C36H46N10O12	810.3297	NA	PeJP	NA	NA
+PJ041130	CDMMRR 	C29H54N12O9S3	810.3299	NA	PeJP	NA	NA
+PJ041131	PCCFRW 	C37H50N10O7S2	810.3306	NA	PeJP	NA	NA
+PJ041132	SSSCNKW 	C33H50N10O12S	810.3331	NA	PeJP	NA	NA
+PJ041133	QEYWW 	C41H46N8O10	810.3337	NA	PeJP	NA	NA
+PJ041134	GMMMRW 	C34H54N10O7S3	810.3339	NA	PeJP	NA	NA
+PJ041135	SSSSSNDK 	C29H50N10O17	810.3356	NA	PeJP	NA	NA
+PJ041136	GSTEMMR 	C30H54N10O12S2	810.3364	NA	PeJP	NA	NA
+PJ041137	GGGGSSKMM 	C30H54N10O12S2	810.3365	NA	PeJP	NA	NA
+PJ041138	GNNNQQH 	C30H46N14O13	810.3369	NA	PeJP	NA	NA
+PJ041139	GGGGGGGGGAAH 	C30H46N14O13	810.337	NA	PeJP	NA	NA
+PJ041140	STTMWW 	C38H50N8O10S	810.3371	NA	PeJP	NA	NA
+PJ041141	CQMHHR 	C31H50N14O8S2	810.3378	NA	PeJP	NA	NA
+PJ041142	SSTTTEW 	C34H50N8O15	810.3396	NA	PeJP	NA	NA
+PJ041143	SKEMMW 	C35H54N8O10S2	810.3405	NA	PeJP	NA	NA
+PJ041144	GSSTHHW 	C35H46N12O11	810.3409	NA	PeJP	NA	NA
+PJ041145	GGGGGSPHW 	C35H46N12O11	810.341	NA	PeJP	NA	NA
+PJ041146	GMFFFY 	C43H50N6O8S	810.3411	NA	PeJP	NA	NA
+PJ041147	SSTKEEM 	C31H54N8O15S	810.343	NA	PeJP	NA	NA
+PJ041148	TTTYYY 	C39H50N6O13	810.3436	NA	PeJP	NA	NA
+PJ041149	AAKEMMM 	C32H58N8O10S3	810.3438	NA	PeJP	NA	NA
+PJ041150	NNNMRY 	C32H50N12O11S	810.3443	NA	PeJP	NA	NA
+PJ041151	GPEHWW 	C40H46N10O9	810.345	NA	PeJP	NA	NA
+PJ041152	SSSSSSNR 	C28H50N12O16	810.3468	NA	PeJP	NA	NA
+MJ095131	Kisantine 	C44H50N4O11	810.347608	NA	MeJP	NA	NA
+PJ041153	SSCCQKR 	C29H54N12O11S2	810.3477	NA	PeJP	NA	NA
+PJ041154	SPCRYW 	C37H50N10O9S	810.3483	NA	PeJP	NA	NA
+PJ041155	AYWWW 	C45H46N8O7	810.349	NA	PeJP	NA	NA
+PJ041156	SQEERY 	C33H50N10O14	810.3508	NA	PeJP	NA	NA
+PJ041157	GGGGASPPPD 	C33H50N10O14	810.3509	NA	PeJP	NA	NA
+PJ041158	STMMRW 	C34H54N10O9S2	810.3517	NA	PeJP	NA	NA
+PJ041159	AAMFWW 	C42H50N8O7S	810.3523	NA	PeJP	NA	NA
+PJ041160	GCLFWW 	C42H50N8O7S	810.3524	NA	PeJP	NA	NA
+PJ041161	SSTTEMR 	C30H54N10O14S	810.3542	NA	PeJP	NA	NA
+PJ041162	ADKEYW 	C38H50N8O12	810.3548	NA	PeJP	NA	NA
+PJ041163	GKEEYW 	C38H50N8O12	810.3549	NA	PeJP	NA	NA
+PJ041164	DKMMMR 	C31H58N10O9S3	810.3551	NA	PeJP	NA	NA
+PJ041165	GSSMHHR 	C31H50N14O10S	810.3555	NA	PeJP	NA	NA
+PJ041166	GGGPCQHR 	C31H50N14O10S	810.3556	NA	PeJP	NA	NA
+PJ041167	PCKMFW 	C39H54N8O7S2	810.3557	NA	PeJP	NA	NA
+PJ041168	GQHHFW 	C39H46N12O8	810.3562	NA	PeJP	NA	NA
+PJ041169	SSSTLMW 	C35H54N8O12S	810.3582	NA	PeJP	NA	NA
+MJ095132	RA-IX 	C43H50N6O10	810.358841	NA	MeJP	NA	NA
+PJ041170	GVFYYY 	C43H50N6O10	810.3589	NA	PeJP	NA	NA
+PJ041171	CLKMMW 	C36H58N8O7S3	810.3591	NA	PeJP	NA	NA
+PJ041172	TCKHHW 	C36H50N12O8S	810.3596	NA	PeJP	NA	NA
+PJ041173	PHWWW 	C44H46N10O6	810.3602	NA	PeJP	NA	NA
+PJ041174	SSSSTTLE 	C31H54N8O17	810.3607	NA	PeJP	NA	NA
+PJ041175	ATTKEMM 	C32H58N8O12S2	810.3616	NA	PeJP	NA	NA
+PJ041176	SDDRRY 	C32H50N12O13	810.3621	NA	PeJP	NA	NA
+PJ041177	APPCMHR 	C33H54N12O8S2	810.3629	NA	PeJP	NA	NA
+PJ041178	GSSSSCKR 	C29H54N12O13S	810.3654	NA	PeJP	NA	NA
+PJ041179	GTERYW 	C37H50N10O11	810.3661	NA	PeJP	NA	NA
+PJ041180	SMMMRR 	C30H58N12O8S3	810.3663	NA	PeJP	NA	NA
+PJ041181	PHHHHF 	C38H46N14O7	810.3674	NA	PeJP	NA	NA
+PJ041182	VNEMRY 	C34H54N10O11S	810.3694	NA	PeJP	NA	NA
+PJ041183	GGVEMRY 	C34H54N10O11S	810.3695	NA	PeJP	NA	NA
+PJ041184	KEYWW 	C42H50N8O9	810.3701	NA	PeJP	NA	NA
+MJ095133	Cholest-22-ene-3,6,7,8,15,24-hexol, 3,24-Di-O-?-D-xylopyranoside, 15-sulfate 	C37H62O17S	810.370771	NA	MeJP	NA	NA
+PJ041185	LMHHHH 	C35H50N14O7S	810.3708	NA	PeJP	NA	NA
+PJ041186	SSSSSTQK 	C30H54N10O16	810.3719	NA	PeJP	NA	NA
+PJ041187	GGSSSSTTK 	C30H54N10O16	810.372	NA	PeJP	NA	NA
+PJ041188	SSSLMMR 	C31H58N10O11S2	810.3728	NA	PeJP	NA	NA
+PJ041189	SSSTHHR 	C31H50N14O12	810.3733	NA	PeJP	NA	NA
+PJ041190	SPKMYW 	C39H54N8O9S	810.3735	NA	PeJP	NA	NA
+PJ041191	GFFFFF 	C47H50N6O7	810.3741	NA	PeJP	NA	NA
+PJ041192	CKMHHR 	C32H54N14O7S2	810.3742	NA	PeJP	NA	NA
+PJ041193	TTTTTTW 	C35H54N8O14	810.376	NA	PeJP	NA	NA
+PJ041194	AAPKMMY 	C36H58N8O9S2	810.3768	NA	PeJP	NA	NA
+PJ041195	GPCLKMY 	C36H58N8O9S2	810.3769	NA	PeJP	NA	NA
+PJ041196	SPEHRW 	C36H50N12O10	810.3773	NA	PeJP	NA	NA
+PJ041197	TTTTKEM 	C32H58N8O14S	810.3793	NA	PeJP	NA	NA
+PJ041198	GTLKMMM 	C33H62N8O9S3	810.3802	NA	PeJP	NA	NA
+PJ041199	GEMRRY 	C33H54N12O10S	810.3807	NA	PeJP	NA	NA
+PJ041200	TRYWW 	C41H50N10O8	810.3813	NA	PeJP	NA	NA
+MJ095134	Gardmultine 	C45H54N4O10	810.383993	NA	MeJP	NA	NA
+PJ041201	SSCCKKR 	C30H58N12O10S2	810.3841	NA	PeJP	NA	NA
+PJ041202	NNDHRR 	C30H50N16O11	810.3845	NA	PeJP	NA	NA
+PJ041203	GGGGDHRR 	C30H50N16O11	810.3846	NA	PeJP	NA	NA
+PJ041204	GVMRYW 	C38H54N10O8S	810.3847	NA	PeJP	NA	NA
+PJ041205	SKEERY 	C34H54N10O13	810.3872	NA	PeJP	NA	NA
+PJ041206	VQMMFR 	C35H58N10O8S2	810.3881	NA	PeJP	NA	NA
+PJ041207	GQQHRW 	C35H50N14O9	810.3886	NA	PeJP	NA	NA
+PJ041208	TTTTTMR 	C31H58N10O13S	810.3906	NA	PeJP	NA	NA
+PJ041209	SVKEYW 	C39H54N8O11	810.3912	NA	PeJP	NA	NA
+PJ041210	GGAALEFF 	C39H54N8O11	810.3913	NA	PeJP	NA	NA
+PJ041211	ACCKKKM 	C32H62N10O8S3	810.3915	NA	PeJP	NA	NA
+PJ041212	PDMHRR 	C32H54N14O9S	810.3919	NA	PeJP	NA	NA
+PJ041213	GKHHFW 	C40H50N12O7	810.3926	NA	PeJP	NA	NA
+MJ095135	Halomicin A 	C43H58N2O13	810.393889	NA	MeJP	NA	NA
+MJ095136	Halomicin C 	C43H58N2O13	810.393889	NA	MeJP	NA	NA
+MJ095137	Rifamycin B; Diethylamide 	C43H58N2O13	810.393889	NA	MeJP	NA	NA
+PJ041214	LQKEMY 	C36H58N8O11S	810.3946	NA	PeJP	NA	NA
+PJ041215	MRRYW 	C37H54N12O7S	810.3959	NA	PeJP	NA	NA
+PJ041216	PCLHRW 	C37H54N12O7S	810.396	NA	PeJP	NA	NA
+PJ041217	SSTTTTTL 	C32H58N8O16	810.3971	NA	PeJP	NA	NA
+PJ041218	STTLKMM 	C33H62N8O11S2	810.398	NA	PeJP	NA	NA
+PJ041219	STERRY 	C33H54N12O12	810.3984	NA	PeJP	NA	NA
+PJ041220	GGGSSKRY 	C33H54N12O12	810.3985	NA	PeJP	NA	NA
+PJ041221	AMMFRR 	C34H58N12O7S2	810.3993	NA	PeJP	NA	NA
+PJ041222	PQHHHR 	C34H50N16O8	810.3998	NA	PeJP	NA	NA
+PJ041223	SSLRYW 	C38H54N10O10	810.4025	NA	PeJP	NA	NA
+MJ095138	2,3,16,21-Tetrahydroxy-12-oleanene-23,28-dioic acid, 28?21 Lactone, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C41H62O16	810.403785	NA	MeJP	NA	NA
+MJ095139	21,23:22,28:26,28-Triepoxystigmasta-8,14-diene-3,21,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H62O16	810.403785	NA	MeJP	NA	NA
+MJ095140	Fevicordin F; 22-Deoxy, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H62O16	810.403785	NA	MeJP	NA	NA
+MJ095141	Hederagenin 3-glycosides; Diglycosides, 3-O-[(2-Carboxy-1-carboxymethoxy-2-hydroxyethyl)-(?3)-?-D-glucuronopyranoside] 	C41H62O16	810.403785	NA	MeJP	NA	NA
+MJ095142	Norarjunolic acid; 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H62O16	810.403785	NA	MeJP	NA	NA
+PJ041224	VDKMRY 	C35H58N10O10S	810.4058	NA	PeJP	NA	NA
+PJ041225	GGGAKKMY 	C35H58N10O10S	810.4059	NA	PeJP	NA	NA
+PJ041226	APKFYW 	C43H54N8O8	810.4065	NA	PeJP	NA	NA
+MJ095143	Cholestane-3,6,8,15,24-pentol, 24-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-5-O-sulfo-?-L-arabinofuranoside] 	C38H66O16S	810.407156	NA	MeJP	NA	NA
+PJ041227	SSSSSTKK 	C31H58N10O15	810.4083	NA	PeJP	NA	NA
+PJ041228	SSCKKKM 	C32H62N10O10S2	810.4092	NA	PeJP	NA	NA
+PJ041229	VDEHRR 	C32H54N14O11	810.4097	NA	PeJP	NA	NA
+PJ041230	ALKMYW 	C40H58N8O8S	810.4099	NA	PeJP	NA	NA
+PJ041231	PTTTTKY 	C36H58N8O13	810.4123	NA	PeJP	NA	NA
+PJ041232	GTTLKEY 	C36H58N8O13	810.4124	NA	PeJP	NA	NA
+PJ041233	AALKMMF 	C37H62N8O8S2	810.4132	NA	PeJP	NA	NA
+PJ041234	ALEHRW 	C37H54N12O9	810.4137	NA	PeJP	NA	NA
+PJ041235	SVMRRY 	C34H58N12O9S	810.4171	NA	PeJP	NA	NA
+PJ041236	GLLHWW 	C42H54N10O7	810.4177	NA	PeJP	NA	NA
+MJ095144	Leurosidine 	C46H58N4O9	810.420379	NA	MeJP	NA	NA
+MJ095145	Vinblastine 	C46H58N4O9	810.420379	NA	MeJP	NA	NA
+MJ095146	Vincovaline 	C46H58N4O9	810.420379	NA	MeJP	NA	NA
+C07201	Vinblastine	C46H58N4O9	810.4204	NA	KEGG	NA	NA
+C09218	Leurosidine	C46H58N4O9	810.4204	NA	KEGG	NA	NA
+PJ041237	SQQHRR 	C31H54N16O10	810.4209	NA	PeJP	NA	NA
+PJ041238	PLKMHW 	C39H58N10O7S	810.4211	NA	PeJP	NA	NA
+PJ041239	GTTTLRY 	C35H58N10O12	810.4236	NA	PeJP	NA	NA
+PJ041240	VKMMFR 	C36H62N10O7S2	810.4245	NA	PeJP	NA	NA
+PJ041241	GQKHRW 	C36H54N14O8	810.4249	NA	PeJP	NA	NA
+PJ041242	GGAKHRW 	C36H54N14O8	810.425	NA	PeJP	NA	NA
+MJ095147	Nodularin; 3'-Demethyl 	C40H58N8O10	810.42759	NA	MeJP	NA	NA
+MJ095148	Nodularin; 9-O-De-Me 	C40H58N8O10	810.42759	NA	MeJP	NA	NA
+PJ041243	TTLKYW 	C40H58N8O10	810.4276	NA	PeJP	NA	NA
+PJ041244	FFRRW 	C41H54N12O6	810.429	NA	PeJP	NA	NA
+MJ095149	Mocimycin; 1-Me 	C44H62N2O12	810.430275	NA	MeJP	NA	NA
+PJ041245	LKKEMY 	C37H62N8O10S	810.431	NA	PeJP	NA	NA
+PJ041246	LKEEHR 	C34H58N12O11	810.4348	NA	PeJP	NA	NA
+PJ041247	GAAPPDKR 	C34H58N12O11	810.4349	NA	PeJP	NA	NA
+PJ041248	PKHHHR 	C35H54N16O7	810.4362	NA	PeJP	NA	NA
+PJ041249	VLKEHW 	C39H58N10O9	810.4389	NA	PeJP	NA	NA
+MJ095150	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 19-Ketone, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095151	2,3,23-Trihydroxy-11,13(18)-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095152	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095153	20,24-Epoxy-3,16,25-trihydroxycucurbit-5-ene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095154	3,15,23-Trihydroxy-12-oleanen-16-one, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095155	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095156	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095157	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095158	3,21,23-Trihydroxy-12-oleanen-28-oic acid, 23-Aldehyde, 3-O-?-D-glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095159	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 30-Me ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095160	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], 30-Me ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095161	3,23-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095162	3,24-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095163	3,24-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucuronopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095164	3,29-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095165	3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095166	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095167	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095168	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095169	3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095170	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-?-D-glucopyranosyl ester 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095171	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095172	3-Hydroxy-18-oleanene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095173	Cordifolin A; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095174	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095175	Hederagenin 3-glycosides; Diglycosides, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095176	Hirundigenin; 2?-Hydroxy, 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-sarmentopyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095177	Mabiogenin; 15-Ketone, 21-hydroxy, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095178	Polycavernoside A2 	C42H66O15	810.440171	NA	MeJP	NA	NA
+MJ095179	Spirost-5-en-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranoside] 	C42H66O15	810.440171	NA	MeJP	NA	NA
+C08930	Azukisaponin III	C42H66O15	810.4402	NA	KEGG	NA	NA
+C08941	Dianoside A	C42H66O15	810.4402	NA	KEGG	NA	NA
+PJ041250	TLKMRY 	C36H62N10O9S	810.4422	NA	PeJP	NA	NA
+PJ041251	PPLLWW 	C44H58N8O7	810.4429	NA	PeJP	NA	NA
+PJ041252	TLEHRR 	C33H58N14O10	810.4461	NA	PeJP	NA	NA
+MJ095180	Bottromycin; Bottromycin A1 	C41H62N8O7S	810.446217	NA	MeJP	NA	NA
+PJ041253	SSTLLKY 	C37H62N8O12	810.4487	NA	PeJP	NA	NA
+PJ041254	PPVLKEE 	C37H62N8O12	810.4488	NA	PeJP	NA	NA
+PJ041255	SLLHRW 	C38H58N12O8	810.4501	NA	PeJP	NA	NA
+PJ041256	AALLMHR 	C35H62N12O8S	810.4535	NA	PeJP	NA	NA
+PJ041257	SQKHRR 	C32H58N16O9	810.4573	NA	PeJP	NA	NA
+PJ041258	GSTKKKY 	C36H62N10O11	810.46	NA	PeJP	NA	NA
+PJ041259	GKKHRW 	C37H58N14O7	810.4613	NA	PeJP	NA	NA
+PJ041260	SPPVLLW 	C41H62N8O9	810.464	NA	PeJP	NA	NA
+PJ041261	VLMHRR 	C34H62N14O7S	810.4647	NA	PeJP	NA	NA
+PJ041262	PPLLLQM 	C38H66N8O9S	810.4674	NA	PeJP	NA	NA
+PJ041263	ATTLLHR 	C35H62N12O10	810.4712	NA	PeJP	NA	NA
+PJ041264	VVKFRY 	C40H62N10O8	810.4752	NA	PeJP	NA	NA
+PJ041265	GPPVKKW 	C40H62N10O8	810.4753	NA	PeJP	NA	NA
+MJ095181	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], Me ester 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095182	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6-O-?-L-rhamnopyranoside 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095183	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6-O-(2-O-acetyl-?-L-rhamnopyranoside) 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095184	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095185	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095186	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095187	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C43H70O14	810.476556	NA	MeJP	NA	NA
+MJ095188	3,11-Dihydroxy-12-oleanen-28-oic acid, 11-Me ether, 3-O-?-D-glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C43H70O14	810.476556	NA	MeJP	NA	NA
+PJ041266	PPVVLMR 	C37H66N10O8S	810.4786	NA	PeJP	NA	NA
+PJ041267	GPPTKRR 	C34H62N14O9	810.4825	NA	PeJP	NA	NA
+PJ041268	PVLLLQE 	C38H66N8O11	810.4851	NA	PeJP	NA	NA
+PJ041269	GGPLLLLE 	C38H66N8O11	810.4852	NA	PeJP	NA	NA
+PJ041270	PPKKRW 	C39H62N12O7	810.4865	NA	PeJP	NA	NA
+MJ095189	Nepheliosyne A 	C47H70O11	810.491813	NA	MeJP	NA	NA
+PJ041271	PVQRRR 	C33H62N16O8	810.4937	NA	PeJP	NA	NA
+PJ041272	APLLLER 	C37H66N10O10	810.4964	NA	PeJP	NA	NA
+PJ041273	GPLLLLW 	C42H66N8O8	810.5004	NA	PeJP	NA	NA
+PJ041274	PPLLLKM 	C39H70N8O8S	810.5038	NA	PeJP	NA	NA
+PJ041275	APRRRR 	C32H62N18O7	810.5049	NA	PeJP	NA	NA
+PJ041276	SPPVKKR 	C36H66N12O9	810.5076	NA	PeJP	NA	NA
+MJ095190	Portmicin; 21,25-Dideoxy, 21,25-epoxy 	C44H74O13	810.512942	NA	MeJP	NA	NA
+PJ041277	AAPLKRR 	C35H66N14O8	810.5188	NA	PeJP	NA	NA
+PJ041278	PVLLLKE 	C39H70N8O10	810.5215	NA	PeJP	NA	NA
+HMDB09778	PI(16:0/16:0)	C41H79O13P	810.525818	NA	HMDB2010	NA	NA
+PJ041279	PVKRRR 	C34H66N16O7	810.5301	NA	PeJP	NA	NA
+PJ041280	SPLLLLR 	C38H70N10O9	810.5328	NA	PeJP	NA	NA
+PJ041281	GPLLKKR 	C37H70N12O8	810.544	NA	PeJP	NA	NA
+PJ041282	VLLLLLQ 	C40H74N8O9	810.5579	NA	PeJP	NA	NA
+PJ041283	ALLLLLR 	C39H74N10O8	810.5691	NA	PeJP	NA	NA
+PJ041284	VLLLLLK 	C41H78N8O8	810.5943	NA	PeJP	NA	NA
+EUR1145	SM(d18:0/22:0) [M+Na]+	C45H93N2O6P	810.659072	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1145	SM(d18:0/22:0) [M+Na]+	C45H93N2O6P	810.659072	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1145	SM(d18:0/22:0) [M+Na]+	C45H93N2O6P	810.659072	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1145	SM(d18:0/22:0) [M+Na]+	C45H93N2O6P	810.659072	masses lipides attendues	Inhousejuil11	NA	NA
+3037	insulin secretion inhibitor	DRIEYNVEHAVDY	810.8614	MH2+	Inhouse_peptide	NA	peptide
+PJ041285	CCCCCDY 	C28H41N7O11S5	811.1468	NA	PeJP	NA	NA
+PJ041286	CCCCCMF 	C29H45N7O8S6	811.1654	NA	PeJP	NA	NA
+PJ041287	CCCCDEH 	C27H41N9O12S4	811.1758	NA	PeJP	NA	NA
+PJ041288	CDDDDDD 	C27H37N7O20S	811.1814	NA	PeJP	NA	NA
+PJ041289	SCCCCMY 	C29H45N7O10S5	811.1832	NA	PeJP	NA	NA
+MJ095191	Rubradirin; Aglycone 	C40H33N3O16	811.186082	NA	MeJP	NA	NA
+PJ041290	CCNNDDE 	C27H41N9O16S2	811.2113	NA	PeJP	NA	NA
+PJ041291	SCCCEMH 	C28H45N9O11S4	811.2122	NA	PeJP	NA	NA
+PJ041292	ACCCCFY 	C33H45N7O9S4	811.2162	NA	PeJP	NA	NA
+PJ041293	SDDDDDM 	C28H41N7O19S	811.2178	NA	PeJP	NA	NA
+PJ041294	PCCDDEM 	C29H45N7O14S3	811.2187	NA	PeJP	NA	NA
+PJ041295	GCCNDDW 	C31H41N9O13S2	811.2266	NA	PeJP	NA	NA
+PJ041296	PCCCCHF 	C32H45N9O8S4	811.2274	NA	PeJP	NA	NA
+PJ041297	GSSCNDDD 	C27H41N9O18S	811.2291	NA	PeJP	NA	NA
+PJ041298	GSPCCCNE 	C28H45N9O13S3	811.2299	NA	PeJP	NA	NA
+PJ041299	GCCMMMH 	C29H49N9O8S5	811.2308	NA	PeJP	NA	NA
+PJ041300	GTCCCYY 	C33H45N7O11S3	811.2339	NA	PeJP	NA	NA
+PJ041301	GDDDEMM 	C29H45N7O16S2	811.2365	NA	PeJP	NA	NA
+PJ041302	CCCNNQQ 	C27H45N11O12S3	811.2411	NA	PeJP	NA	NA
+PJ041303	CCNNNNM 	C27H45N11O12S3	811.2412	NA	PeJP	NA	NA
+PJ041304	SPCCCNW 	C32H45N9O10S3	811.2452	NA	PeJP	NA	NA
+PJ041305	SCNNDEM 	C28H45N9O15S2	811.2477	NA	PeJP	NA	NA
+PJ041306	STCCMMH 	C29H49N9O10S4	811.2485	NA	PeJP	NA	NA
+PJ041307	GGPCCNMM 	C29H49N9O10S4	811.2486	NA	PeJP	NA	NA
+PJ041308	GDDDDEF 	C32H41N7O18	811.2508	NA	PeJP	NA	NA
+PJ041309	DDDMMW 	C33H45N7O13S2	811.2517	NA	PeJP	NA	NA
+PJ041310	SSDDEEM 	C29H45N7O18S	811.2542	NA	PeJP	NA	NA
+PJ041311	SPCDEMM 	C30H49N7O13S3	811.2551	NA	PeJP	NA	NA
+PJ041312	GCDDEHH 	C30H41N11O14S	811.2556	NA	PeJP	NA	NA
+PJ041313	PPCCMMM 	C31H53N7O8S5	811.2559	NA	PeJP	NA	NA
+PJ041314	SCCNDDR 	C27H45N11O14S2	811.2589	NA	PeJP	NA	NA
+PJ041315	PCCCCQR 	C28H49N11O9S4	811.2598	NA	PeJP	NA	NA
+PJ041316	GNNDDDY 	C31H41N9O17	811.2621	NA	PeJP	NA	NA
+PJ041317	GSCNDMW 	C32H45N9O12S2	811.2629	NA	PeJP	NA	NA
+PJ041318	GGGSCDMW 	C32H45N9O12S2	811.263	NA	PeJP	NA	NA
+PJ041319	GSSSNDDM 	C28H45N9O17S	811.2654	NA	PeJP	NA	NA
+PJ041320	GGGSSSDDM 	C28H45N9O17S	811.2655	NA	PeJP	NA	NA
+PJ041321	DDDDFW 	C36H41N7O15	811.2661	NA	PeJP	NA	NA
+PJ041322	GNNDMMM 	C29H49N9O12S3	811.2663	NA	PeJP	NA	NA
+PJ041323	CCNFYY 	C37H45N7O10S2	811.2669	NA	PeJP	NA	NA
+PJ041324	GGCCFYY 	C37H45N7O10S2	811.267	NA	PeJP	NA	NA
+PJ041325	GPDDDMY 	C33H45N7O15S	811.2695	NA	PeJP	NA	NA
+PJ041326	PPCCDMF 	C34H49N7O10S3	811.2703	NA	PeJP	NA	NA
+PJ041327	CDDHHW 	C34H41N11O11S	811.2708	NA	PeJP	NA	NA
+PJ041328	GSEEEMM 	C30H49N7O15S2	811.2728	NA	PeJP	NA	NA
+PJ041329	SSDDDHH 	C30H41N11O16	811.2733	NA	PeJP	NA	NA
+PJ041330	GPDMMMM 	C31H53N7O10S4	811.2737	NA	PeJP	NA	NA
+PJ041331	SPCCEHH 	C31H45N11O11S2	811.2742	NA	PeJP	NA	NA
+PJ041332	SSSSCNNN 	C27H45N11O16S	811.2767	NA	PeJP	NA	NA
+PJ041333	ACCNDMR 	C28H49N11O11S3	811.2775	NA	PeJP	NA	NA
+PJ041334	GCCNEMR 	C28H49N11O11S3	811.2776	NA	PeJP	NA	NA
+PJ041335	SCCQWW 	C36H45N9O9S2	811.2782	NA	PeJP	NA	NA
+PJ041336	SSSCNEW 	C32H45N9O14S	811.2807	NA	PeJP	NA	NA
+PJ041337	CNQMMW 	C33H49N9O9S3	811.2816	NA	PeJP	NA	NA
+PJ041338	SSSSSNDE 	C28H45N9O19	811.2832	NA	PeJP	NA	NA
+PJ041339	SSNNEMM 	C29H49N9O14S2	811.2841	NA	PeJP	NA	NA
+PJ041340	PCDEYW 	C37H45N7O12S	811.2847	NA	PeJP	NA	NA
+PJ041341	PCCCQKM 	C30H53N9O9S4	811.2849	NA	PeJP	NA	NA
+PJ041342	GAPCCCKM 	C30H53N9O9S4	811.285	NA	PeJP	NA	NA
+PJ041343	GCNNMHH 	C30H45N13O10S2	811.2854	NA	PeJP	NA	NA
+PJ041344	NEEEEY 	C33H45N7O17	811.2872	NA	PeJP	NA	NA
+PJ041345	SEEMMW 	C34H49N7O12S2	811.2881	NA	PeJP	NA	NA
+PJ041346	GCCCDRR 	C27H49N13O10S3	811.2888	NA	PeJP	NA	NA
+PJ041347	SSTEEEM 	C30H49N7O17S	811.2906	NA	PeJP	NA	NA
+PJ041348	AAEEMMM 	C31H53N7O12S3	811.2915	NA	PeJP	NA	NA
+PJ041349	GCNNNQY 	C31H45N11O13S	811.2919	NA	PeJP	NA	NA
+PJ041350	GGGGGGGCQY 	C31H45N11O13S	811.292	NA	PeJP	NA	NA
+PJ041351	CCNMRW 	C32H49N11O8S3	811.2928	NA	PeJP	NA	NA
+MJ095192	Miniatine 	C43H45N3O13	811.295238	NA	MeJP	NA	NA
+PJ041352	SSCNDMR 	C28H49N11O13S2	811.2953	NA	PeJP	NA	NA
+PJ041353	GSSSCWW 	C36H45N9O11S	811.2959	NA	PeJP	NA	NA
+PJ041354	GGCNEFW 	C36H45N9O11S	811.296	NA	PeJP	NA	NA
+PJ041355	PCCCCKR 	C29H53N11O8S4	811.2962	NA	PeJP	NA	NA
+PJ041356	GSNDQEY 	C32H45N9O16	811.2984	NA	PeJP	NA	NA
+PJ041357	GSSSSSDW 	C32H45N9O16	811.2985	NA	PeJP	NA	NA
+PJ041358	GSSNMMW 	C33H49N9O11S2	811.2993	NA	PeJP	NA	NA
+PJ041359	GSSSSQEM 	C29H49N9O16S	811.3018	NA	PeJP	NA	NA
+PJ041360	GEEEYW 	C37H45N7O14	811.3025	NA	PeJP	NA	NA
+PJ041361	DEMMMR 	C30H53N9O11S3	811.3027	NA	PeJP	NA	NA
+PJ041362	SSCNQHH 	C30H45N13O12S	811.3032	NA	PeJP	NA	NA
+PJ041363	PCEMFW 	C38H49N7O9S2	811.3034	NA	PeJP	NA	NA
+MJ095193	Auramycin B; 10-Hydroxy 	C41H49NO16	811.305134	NA	MeJP	NA	NA
+MJ095194	Taurimycin B 	C41H49NO16	811.305134	NA	MeJP	NA	NA
+PJ041364	ASPDEMY 	C34H49N7O14S	811.3058	NA	PeJP	NA	NA
+PJ041365	GSPEEMY 	C34H49N7O14S	811.3059	NA	PeJP	NA	NA
+PJ041366	VDMMMW 	C35H53N7O9S3	811.3067	NA	PeJP	NA	NA
+PJ041367	SDMHHW 	C35H45N11O10S	811.3072	NA	PeJP	NA	NA
+PJ041368	ATTEEMM 	C31H53N7O14S2	811.3092	NA	PeJP	NA	NA
+PJ041369	SSNNNNY 	C31H45N11O15	811.3097	NA	PeJP	NA	NA
+PJ041370	APTMMMM 	C32H57N7O9S4	811.3101	NA	PeJP	NA	NA
+PJ041371	GSTCCRW 	C32H49N11O10S2	811.3106	NA	PeJP	NA	NA
+PJ041372	GCNFWW 	C40H45N9O8S	811.3112	NA	PeJP	NA	NA
+PJ041373	GSSSSCER 	C28H49N11O15S	811.3131	NA	PeJP	NA	NA
+PJ041374	SNNEYW 	C36H45N9O13	811.3137	NA	PeJP	NA	NA
+PJ041375	GSCQMMR 	C29H53N11O10S3	811.3139	NA	PeJP	NA	NA
+PJ041376	GGGGCCCKK 	C29H53N11O10S3	811.314	NA	PeJP	NA	NA
+PJ041377	SCCKWW 	C37H49N9O8S2	811.3146	NA	PeJP	NA	NA
+PJ041378	SSSSQMW 	C33H49N9O13S	811.3171	NA	PeJP	NA	NA
+PJ041379	EEYWW 	C41H45N7O11	811.3177	NA	PeJP	NA	NA
+PJ041380	CNKMMW 	C34H53N9O8S3	811.318	NA	PeJP	NA	NA
+PJ041381	SSSSSTQE 	C29H49N9O18	811.3196	NA	PeJP	NA	NA
+MJ095195	Taxol?; 10-De-Ac 	C45H49NO13	811.32039	NA	MeJP	NA	NA
+MJ095196	Taxol?; 7-Epimer, 10-de-Ac 	C45H49NO13	811.32039	NA	MeJP	NA	NA
+PJ041382	SSNDKMM 	C30H53N9O13S2	811.3204	NA	PeJP	NA	NA
+PJ041383	GGSSDKMM 	C30H53N9O13S2	811.3205	NA	PeJP	NA	NA
+PJ041384	GSSSSNHH 	C30H45N13O14	811.3209	NA	PeJP	NA	NA
+PJ041385	GGGGGGGQEH 	C30H45N13O14	811.321	NA	PeJP	NA	NA
+PJ041386	SPEMYW 	C38H49N7O11S	811.3211	NA	PeJP	NA	NA
+PJ041387	PCCCKKM 	C31H57N9O8S4	811.3213	NA	PeJP	NA	NA
+PJ041388	CEMHHR 	C31H49N13O9S2	811.3218	NA	PeJP	NA	NA
+PJ041389	DKEEEY 	C34H49N7O16	811.3236	NA	PeJP	NA	NA
+PJ041390	AAPEMMY 	C35H53N7O11S2	811.3245	NA	PeJP	NA	NA
+PJ041391	GSPNDHW 	C35H45N11O12	811.3249	NA	PeJP	NA	NA
+PJ041392	GGGSPDHW 	C35H45N11O12	811.325	NA	PeJP	NA	NA
+PJ041393	GSCCMRR 	C28H53N13O9S3	811.3252	NA	PeJP	NA	NA
+PJ041394	AMMHHW 	C36H49N11O7S2	811.3258	NA	PeJP	NA	NA
+PJ041395	TTTTEEM 	C31H53N7O16S	811.327	NA	PeJP	NA	NA
+PJ041396	GTLEMMM 	C32H57N7O11S3	811.3278	NA	PeJP	NA	NA
+PJ041397	TCCILEM 	C32H57N7O11S3	811.3279	NA	PeJP	NA	NA
+PJ041398	SSSSCRW 	C32H49N11O12S	811.3283	NA	PeJP	NA	NA
+PJ041399	GGGGGGGPPPC 	C32H49N11O12S	811.3284	NA	PeJP	NA	NA
+PJ041400	GSNYWW 	C40H45N9O10	811.329	NA	PeJP	NA	NA
+PJ041401	NMHHHH 	C33H45N15O8S	811.3297	NA	PeJP	NA	NA
+PJ041402	SSSSSSDR 	C28H49N11O17	811.3308	NA	PeJP	NA	NA
+PJ041403	SSSNMMR 	C29H53N11O12S2	811.3317	NA	PeJP	NA	NA
+PJ041404	GQQMYW 	C37H49N9O10S	811.3323	NA	PeJP	NA	NA
+PJ041405	GGGAAMYW 	C37H49N9O10S	811.3324	NA	PeJP	NA	NA
+PJ041406	GSSSSTTW 	C33H49N9O15	811.3348	NA	PeJP	NA	NA
+PJ041407	GGGSDKEY 	C33H49N9O15	811.3349	NA	PeJP	NA	NA
+PJ041408	GSTCKMW 	C34H53N9O10S2	811.3357	NA	PeJP	NA	NA
+PJ041409	NNNQHW 	C34H45N13O11	811.3362	NA	PeJP	NA	NA
+PJ041410	PPCFYW 	C42H49N7O8S	811.3364	NA	PeJP	NA	NA
+PJ041411	GSSSSKEM 	C30H53N9O15S	811.3382	NA	PeJP	NA	NA
+PJ041412	SVEEYW 	C38H49N7O13	811.3389	NA	PeJP	NA	NA
+PJ041413	GSQKMMM 	C31H57N9O10S3	811.3391	NA	PeJP	NA	NA
+PJ041414	SSCNKHH 	C31H49N13O11S	811.3395	NA	PeJP	NA	NA
+PJ041415	GPCNEHR 	C31H49N13O11S	811.3396	NA	PeJP	NA	NA
+PJ041416	PCLMYW 	C39H53N7O8S2	811.3397	NA	PeJP	NA	NA
+PJ041417	GEHHFW 	C39H45N11O9	811.3402	NA	PeJP	NA	NA
+MJ095197	Aclacinomycin A 	C42H53NO15	811.34152	NA	MeJP	NA	NA
+MJ095198	Epelmycin A 	C42H53NO15	811.34152	NA	MeJP	NA	NA
+MJ095199	Streptovaricin; Streptovaricin B 	C42H53NO15	811.34152	NA	MeJP	NA	NA
+MJ095200	Streptovaricin; Streptovaricin C, 17-Ac 	C42H53NO15	811.34152	NA	MeJP	NA	NA
+PJ041418	LQEEMY 	C35H53N7O13S	811.3422	NA	PeJP	NA	NA
+PJ041419	SSTCCRR 	C28H53N13O11S2	811.3429	NA	PeJP	NA	NA
+PJ041420	TLMMMW 	C36H57N7O8S3	811.3431	NA	PeJP	NA	NA
+PJ041421	GCQRYW 	C36H49N11O9S	811.3436	NA	PeJP	NA	NA
+PJ041422	STTLEMM 	C32H57N7O13S2	811.3456	NA	PeJP	NA	NA
+PJ041423	GSSNERY 	C32H49N11O14	811.3461	NA	PeJP	NA	NA
+PJ041424	GVLMMMM 	C33H61N7O8S4	811.3465	NA	PeJP	NA	NA
+PJ041425	NNMMFR 	C33H53N11O9S2	811.3469	NA	PeJP	NA	NA
+PJ041426	GGNMMFR 	C33H53N11O9S2	811.347	NA	PeJP	NA	NA
+PJ041427	GSTHHHH 	C33H45N15O10	811.3474	NA	PeJP	NA	NA
+PJ041428	GSSSSTMR 	C29H53N11O14S	811.3494	NA	PeJP	NA	NA
+PJ041429	SNDKYW 	C37H49N9O12	811.3501	NA	PeJP	NA	NA
+PJ041430	GSCKMMR 	C30H57N11O9S3	811.3503	NA	PeJP	NA	NA
+PJ041431	CKMHFF 	C38H53N9O7S2	811.351	NA	PeJP	NA	NA
+PJ041432	SSSSKMW 	C34H53N9O12S	811.3535	NA	PeJP	NA	NA
+MJ095201	Virginiamycin S1; 4'-Dihydro, N-de-Me 	C42H49N7O10	811.35409	NA	MeJP	NA	NA
+PJ041433	SPPYYW 	C42H49N7O10	811.3541	NA	PeJP	NA	NA
+PJ041434	PMMMFR 	C35H57N9O7S3	811.3543	NA	PeJP	NA	NA
+PJ041435	PCNHRW 	C35H49N13O8S	811.3548	NA	PeJP	NA	NA
+PJ041436	HHFWW 	C43H45N11O6	811.3555	NA	PeJP	NA	NA
+PJ041437	SSSTTTTQ 	C30H53N9O17	811.3559	NA	PeJP	NA	NA
+MJ095202	Antibiotic LL-BM 123? 	C30H53N9O17	811.355941	NA	MeJP	NA	NA
+MJ095203	Antibiotic LL-BM 123? 	C30H53N9O17	811.355941	NA	MeJP	NA	NA
+PJ041438	SSSSSTKE 	C30H53N9O17	811.356	NA	PeJP	NA	NA
+PJ041439	SSTQKMM 	C31H57N9O12S2	811.3568	NA	PeJP	NA	NA
+PJ041440	NQEEHR 	C31H49N13O13	811.3573	NA	PeJP	NA	NA
+PJ041441	ALEMYW 	C39H53N7O10S	811.3575	NA	PeJP	NA	NA
+PJ041442	LMMMMR 	C32H61N9O7S4	811.3577	NA	PeJP	NA	NA
+PJ041443	CCQFRR 	C32H53N13O8S2	811.3582	NA	PeJP	NA	NA
+PJ041444	GTTLEEY 	C35H53N7O15	811.36	NA	PeJP	NA	NA
+PJ041445	GPTLMMY 	C36H57N7O10S2	811.3609	NA	PeJP	NA	NA
+PJ041446	SSNRYW 	C36H49N11O11	811.3613	NA	PeJP	NA	NA
+PJ041447	GGGGLEHW 	C36H49N11O11	811.3614	NA	PeJP	NA	NA
+PJ041448	SSLLMMM 	C33H61N7O10S3	811.3642	NA	PeJP	NA	NA
+PJ041449	SQQMRY 	C33H53N11O11S	811.3647	NA	PeJP	NA	NA
+PJ041450	AQHFFY 	C41H49N9O9	811.3653	NA	PeJP	NA	NA
+PJ041451	GQQFFW 	C41H49N9O9	811.3654	NA	PeJP	NA	NA
+PJ041452	SSSSSTTR 	C29H53N11O16	811.3672	NA	PeJP	NA	NA
+PJ041453	SSTCKMR 	C30H57N11O11S2	811.3681	NA	PeJP	NA	NA
+PJ041454	GSNNQHR 	C30H49N15O12	811.3685	NA	PeJP	NA	NA
+PJ041455	NDDHRR 	C30H49N15O12	811.3686	NA	PeJP	NA	NA
+PJ041456	GQKMYW 	C38H53N9O9S	811.3687	NA	PeJP	NA	NA
+PJ041457	GSTQKEY 	C34H53N9O14	811.3712	NA	PeJP	NA	NA
+PJ041458	GGGAPPLDE 	C34H53N9O14	811.3713	NA	PeJP	NA	NA
+PJ041459	APCCKKY 	C35H57N9O9S2	811.3721	NA	PeJP	NA	NA
+PJ041460	GQEHRW 	C35H49N13O10	811.3726	NA	PeJP	NA	NA
+PJ041461	PCLFFW 	C43H53N7O7S	811.3728	NA	PeJP	NA	NA
+PJ041462	GSSTTTKM 	C31H57N9O14S	811.3746	NA	PeJP	NA	NA
+3116	adrenocorticotropin hormone fr,:1-13	SYSMEHFRWGKPV	811.3752	MH2+	Inhouse_peptide	NA	peptide
+PJ041463	TTLEYW 	C39H53N7O12	811.3752	NA	PeJP	NA	NA
+PJ041464	GAPLEYY 	C39H53N7O12	811.3753	NA	PeJP	NA	NA
+PJ041465	GSKKMMM 	C32H61N9O9S3	811.3755	NA	PeJP	NA	NA
+PJ041466	SCQRRY 	C32H53N13O10S	811.3759	NA	PeJP	NA	NA
+PJ041467	GGGPTMHR 	C32H53N13O10S	811.376	NA	PeJP	NA	NA
+PJ041468	VVMMFW 	C40H57N7O7S2	811.3761	NA	PeJP	NA	NA
+PJ041469	GVQHWW 	C40H49N11O8	811.3766	NA	PeJP	NA	NA
+MJ095204	4(20),11-Taxadiene-2,5,7,9,10,13-hexol, 5-(2-Acetoxy-3-dimethylamino-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac 	C43H57NO14	811.377905	NA	MeJP	NA	NA
+PJ041470	LKEEMY 	C36H57N7O12S	811.3786	NA	PeJP	NA	NA
+PJ041471	GCKRYW 	C37H53N11O8S	811.38	NA	PeJP	NA	NA
+PJ041472	GSTTQRY 	C33H53N11O13	811.3824	NA	PeJP	NA	NA
+PJ041473	GSSDKRY 	C33H53N11O13	811.3825	NA	PeJP	NA	NA
+PJ041474	CQKMFR 	C34H57N11O8S2	811.3833	NA	PeJP	NA	NA
+PJ041475	PEHHHR 	C34H49N15O9	811.3838	NA	PeJP	NA	NA
+PJ041476	STQKYW 	C38H53N9O11	811.3865	NA	PeJP	NA	NA
+PJ041477	GSPCHRR 	C31H53N15O9S	811.3872	NA	PeJP	NA	NA
+PJ041478	QHRWW 	C39H49N13O7	811.3878	NA	PeJP	NA	NA
+PJ041479	AATQKMY 	C35H57N9O11S	811.3898	NA	PeJP	NA	NA
+PJ041480	TLEMRY 	C35H57N9O11S	811.3899	NA	PeJP	NA	NA
+PJ041481	APLYYW 	C43H53N7O9	811.3905	NA	PeJP	NA	NA
+PJ041482	CLHHFR 	C36H53N13O7S	811.3912	NA	PeJP	NA	NA
+PJ041483	SSSTTTTK 	C31H57N9O16	811.3923	NA	PeJP	NA	NA
+PJ041484	SSTKKMM 	C32H61N9O11S2	811.3932	NA	PeJP	NA	NA
+PJ041485	GSSSRRY 	C32H53N13O12	811.3937	NA	PeJP	NA	NA
+PJ041486	SLLMYW 	C40H57N7O9S	811.3939	NA	PeJP	NA	NA
+PJ041487	CCKFRR 	C33H57N13O7S2	811.3946	NA	PeJP	NA	NA
+PJ041488	SSTLLEY 	C36H57N7O14	811.3964	NA	PeJP	NA	NA
+PJ041489	AVCLLMY 	C37H61N7O9S2	811.3972	NA	PeJP	NA	NA
+PJ041490	AALLMMY 	C37H61N7O9S2	811.3973	NA	PeJP	NA	NA
+PJ041491	PPQERW 	C37H53N11O10	811.3977	NA	PeJP	NA	NA
+PJ041492	SQKMRY 	C34H57N11O10S	811.4011	NA	PeJP	NA	NA
+PJ041493	PPVQWW 	C42H53N9O8	811.4017	NA	PeJP	NA	NA
+PJ041494	GGPPLWW 	C42H53N9O8	811.4018	NA	PeJP	NA	NA
+PJ041495	SQEHRR 	C31H53N15O11	811.4049	NA	PeJP	NA	NA
+PJ041496	GGGGGSKHR 	C31H53N15O11	811.405	NA	PeJP	NA	NA
+PJ041497	GKKMYW 	C39H57N9O8S	811.4051	NA	PeJP	NA	NA
+PJ041498	GSTKKEY 	C35H57N9O13	811.4076	NA	PeJP	NA	NA
+PJ041499	VLMMRY 	C36H61N9O8S2	811.4085	NA	PeJP	NA	NA
+PJ041500	GKEHRW 	C36H53N13O9	811.409	NA	PeJP	NA	NA
+PJ041501	PLKEYY 	C40H57N7O11	811.4116	NA	PeJP	NA	NA
+PJ041502	SCKRRY 	C33H57N13O9S	811.4123	NA	PeJP	NA	NA
+PJ041503	APPRWW 	C41H53N11O7	811.413	NA	PeJP	NA	NA
+PJ041504	ATTLLMY 	C37H61N7O11S	811.415	NA	PeJP	NA	NA
+PJ041505	LKMHHF 	C38H57N11O7S	811.4164	NA	PeJP	NA	NA
+PJ041506	GSTTKRY 	C34H57N11O12	811.4188	NA	PeJP	NA	NA
+PJ041507	GPPKEER 	C34H57N11O12	811.4189	NA	PeJP	NA	NA
+PJ041508	CKKMFR 	C35H61N11O7S2	811.4197	NA	PeJP	NA	NA
+PJ041509	GTHRRW 	C35H53N15O8	811.4202	NA	PeJP	NA	NA
+PJ041510	STKKYW 	C39H57N9O10	811.4229	NA	PeJP	NA	NA
+PJ041511	VNMHRR 	C32H57N15O8S	811.4236	NA	PeJP	NA	NA
+PJ041512	KHRWW 	C40H53N13O6	811.4242	NA	PeJP	NA	NA
+PJ041513	DKKKMY 	C36H61N9O10S	811.4262	NA	PeJP	NA	NA
+PJ041514	GLLLEMH 	C36H61N9O10S	811.4263	NA	PeJP	NA	NA
+PJ041515	ALLFYW 	C44H57N7O8	811.4269	NA	PeJP	NA	NA
+PJ041516	GPPTERR 	C33H57N13O11	811.4301	NA	PeJP	NA	NA
+PJ041517	AALLMFF 	C41H61N7O8S	811.4303	NA	PeJP	NA	NA
+PJ041518	TTTTLLY 	C37H61N7O13	811.4327	NA	PeJP	NA	NA
+PJ041519	PPKERW 	C38H57N11O9	811.4341	NA	PeJP	NA	NA
+PJ041520	GMHRRR 	C31H57N17O7S	811.4348	NA	PeJP	NA	NA
+MJ095205	Midecamycin A3 	C41H65NO15	811.43542	NA	MeJP	NA	NA
+PJ041521	SKKMRY 	C35H61N11O9S	811.4375	NA	PeJP	NA	NA
+PJ041522	PPVKWW 	C43H57N9O7	811.4381	NA	PeJP	NA	NA
+MJ095206	Beauvericin; Beauvericin B 	C47H61N3O9	811.44078	NA	MeJP	NA	NA
+PJ041523	SKEHRR 	C32H57N15O10	811.4413	NA	PeJP	NA	NA
+PJ041524	LLLMHW 	C40H61N9O7S	811.4415	NA	PeJP	NA	NA
+PJ041525	SSSLKKY 	C36H61N9O12	811.444	NA	PeJP	NA	NA
+PJ041526	KKKMMF 	C37H65N9O7S2	811.4449	NA	PeJP	NA	NA
+PJ041527	PPTRRW 	C37H57N13O8	811.4453	NA	PeJP	NA	NA
+PJ041528	GAPKHFR 	C37H57N13O8	811.4454	NA	PeJP	NA	NA
+PJ041529	LLLQYY 	C41H61N7O10	811.448	NA	PeJP	NA	NA
+PJ041530	GPPVMRR 	C34H61N13O8S	811.4487	NA	PeJP	NA	NA
+PJ041531	PPLLLEM 	C38H65N7O10S	811.4514	NA	PeJP	NA	NA
+PJ041532	STHRRR 	C31H57N17O9	811.4526	NA	PeJP	NA	NA
+PJ041533	SPPVKER 	C35H61N11O11	811.4552	NA	PeJP	NA	NA
+PJ041534	GGAPLLER 	C35H61N11O11	811.4553	NA	PeJP	NA	NA
+PJ041535	LLHHHR 	C36H57N15O7	811.4566	NA	PeJP	NA	NA
+PJ041536	VQKKFY 	C40H61N9O9	811.4592	NA	PeJP	NA	NA
+PJ041537	APPTLKW 	C40H61N9O9	811.4593	NA	PeJP	NA	NA
+PJ041538	CLKHRR 	C33H61N15O7S	811.4599	NA	PeJP	NA	NA
+PJ041539	PPMRRR 	C33H61N15O7S	811.46	NA	PeJP	NA	NA
+PJ041540	SVLLLMH 	C37H65N9O9S	811.4626	NA	PeJP	NA	NA
+PJ041541	AAPLERR 	C34H61N13O10	811.4665	NA	PeJP	NA	NA
+PJ041542	PVLLLEE 	C38H65N7O12	811.4692	NA	PeJP	NA	NA
+PJ041543	PLLQRW 	C39H61N11O8	811.4705	NA	PeJP	NA	NA
+C12009	Telithromycin	C43H65N5O10	811.4731	NA	KEGG	NA	NA
+MJ095207	Majusculamide D 	C43H65N5O10	811.473143	NA	MeJP	NA	NA
+MJ095208	Telithromycin 	C43H65N5O10	811.473143	NA	MeJP	NA	NA
+PJ041544	APPLKMR 	C36H65N11O8S	811.4739	NA	PeJP	NA	NA
+PJ041545	PVERRR 	C33H61N15O9	811.4777	NA	PeJP	NA	NA
+PJ041546	PPTLKKE 	C37H65N9O11	811.4804	NA	PeJP	NA	NA
+PJ041547	PVVRRW 	C38H61N13O7	811.4817	NA	PeJP	NA	NA
+MJ095209	Rhizonin A 	C42H65N7O9	811.484376	NA	MeJP	NA	NA
+PJ041548	LLLKYY 	C42H65N7O9	811.4844	NA	PeJP	NA	NA
+PJ041549	LKKMHR 	C35H65N13O7S	811.4851	NA	PeJP	NA	NA
+PJ041550	GPLLKER 	C36H65N11O10	811.4916	NA	PeJP	NA	NA
+PJ041551	VKKKFY 	C41H65N9O8	811.4956	NA	PeJP	NA	NA
+PJ041552	GPVLLKW 	C41H65N9O8	811.4957	NA	PeJP	NA	NA
+PJ041553	PPVLKKM 	C38H69N9O8S	811.499	NA	PeJP	NA	NA
+PJ041554	GPTLLRR 	C35H65N13O9	811.5029	NA	PeJP	NA	NA
+PJ041555	PLLKRW 	C40H65N11O7	811.5069	NA	PeJP	NA	NA
+PJ041556	PQKKRR 	C34H65N15O8	811.5141	NA	PeJP	NA	NA
+HMDB09408	PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09441	PE(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09472	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09473	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09632	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09665	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09696	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB09697	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	C47H74NO8P	811.515198	NA	HMDB2010	NA	NA
+HMDB05352	GPEtn(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U]	C47H74NO8P	811.5152	http://www.hmdb.ca/metabolites/HMDB05352	HMDB	NA	NA
+HMDB05353	GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U]	C47H74NO8P	811.5152	http://www.hmdb.ca/metabolites/HMDB05353	HMDB	NA	NA
+HMDB05352	GPEtn(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[U]	C47H74NO8P	811.5152	HMDB05352	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05353	GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))[U]	C47H74NO8P	811.5152	HMDB05353	PFEM_hmdb_metabocards_official	NA	NA
+PJ041557	PVVLKKE 	C38H69N9O10	811.5168	NA	PeJP	NA	NA
+PJ041558	PPLLLLF 	C43H69N7O8	811.5208	NA	PeJP	NA	NA
+PJ041559	PLLLLLM 	C40H73N7O8S	811.5242	NA	PeJP	NA	NA
+PJ041560	SPVLLKR 	C37H69N11O9	811.528	NA	PeJP	NA	NA
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR542	18 :0-20 :4 PS F1	NA	811.532025	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10165	PS(18:0/20:4(8Z,11Z,14Z,17Z))	C44H78NO10P	811.536316	NA	HMDB2010	NA	NA
+HMDB12383	PS(18:0/20:4(5Z,8Z,11Z,14Z))	C44H78NO10P	811.536316	NA	HMDB2010	NA	NA
+HMDB12393	PS(18:1(9Z)/20:3(8Z,11Z,14Z))	C44H78NO10P	811.536316	NA	HMDB2010	NA	NA
+HMDB12423	PS(20:3(8Z,11Z,14Z)/18:1(9Z))	C44H78NO10P	811.536316	NA	HMDB2010	NA	NA
+HMDB12433	PS(20:4(5Z,8Z,11Z,14Z)/18:0)	C44H78NO10P	811.536316	NA	HMDB2010	NA	NA
+PJ041561	AALLLRR 	C36H69N13O8	811.5392	NA	PeJP	NA	NA
+PJ041562	GVVLLRR 	C36H69N13O8	811.5393	NA	PeJP	NA	NA
+PJ041563	VLLLLLE 	C40H73N7O10	811.5419	NA	PeJP	NA	NA
+PJ041564	VLLRRR 	C35H69N15O7	811.5505	NA	PeJP	NA	NA
+PJ041565	PTLLLKK 	C39H73N9O9	811.5532	NA	PeJP	NA	NA
+PJ041566	GLLLLKR 	C38H73N11O8	811.5644	NA	PeJP	NA	NA
+PJ041567	VVLLLKK 	C40H77N9O8	811.5895	NA	PeJP	NA	NA
+EUR989	PC 38:3 monoisotopic mass 	C46H86NO8P	811.609107	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR989	PC 38:3 monoisotopic mass 	C46H86NO8P	811.609107	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR989	PC 38:3 monoisotopic mass 	C46H86NO8P	811.609107	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR989	PC 38:3 monoisotopic mass 	C46H86NO8P	811.609107	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08020	PC(16:1(9Z)/22:2(13Z,16Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08046	PC(18:0/20:3(5Z,8Z,11Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08047	PC(18:0/20:3(8Z,11Z,14Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08078	PC(18:1(11Z)/20:2(11Z,14Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08111	PC(18:1(9Z)/20:2(11Z,14Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08144	PC(18:2(9Z,12Z)/20:1(11Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08175	PC(18:3(6Z,9Z,12Z)/20:0)	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08208	PC(18:3(9Z,12Z,15Z)/20:0)	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08271	PC(20:0/18:3(6Z,9Z,12Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08272	PC(20:0/18:3(9Z,12Z,15Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08303	PC(20:1(11Z)/18:2(9Z,12Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08334	PC(20:2(11Z,14Z)/18:1(11Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08335	PC(20:2(11Z,14Z)/18:1(9Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08366	PC(20:3(5Z,8Z,11Z)/18:0)	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08399	PC(20:3(8Z,11Z,14Z)/18:0)	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB08594	PC(22:2(13Z,16Z)/16:1(9Z))	C46H86NO8P	811.609131	NA	HMDB2010	NA	NA
+HMDB09776	PE(24:1(15Z)/P-18:1(11Z))	C47H90NO7P	811.645508	NA	HMDB2010	NA	NA
+HMDB09777	PE(24:1(15Z)/P-18:1(9Z))	C47H90NO7P	811.645508	NA	HMDB2010	NA	NA
+HMDB11429	PE(P-18:1(11Z)/24:1(15Z))	C47H90NO7P	811.645508	NA	HMDB2010	NA	NA
+HMDB11462	PE(P-18:1(9Z)/24:1(15Z))	C47H90NO7P	811.645508	NA	HMDB2010	NA	NA
+MJ095210	Acanthacerebroside E 	C47H89NO9	811.653733	NA	MeJP	NA	NA
+EUR1124	SM(d18:1/24:2) monoisotopic mass 	C47H92N2O6P	811.669301	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1124	SM(d18:1/24:2) monoisotopic mass 	C47H92N2O6P	811.669301	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1124	SM(d18:1/24:2) monoisotopic mass 	C47H92N2O6P	811.669301	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1124	SM(d18:1/24:2) monoisotopic mass 	C47H92N2O6P	811.669301	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095211	Cerasine 	C48H93NO8	811.690118	NA	MeJP	NA	NA
+HMDB00140	Glucosylceramide	C48H93NO8	811.69012	http://www.hmdb.ca/metabolites/HMDB00140	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00140	Glucosylceramide	C48H93NO8	811.69012	http://www.hmdb.ca/metabolites/HMDB00140	HMDB	NA	NA
+HMDB04978	Glucosylceramide (d18:1/24:0)	C48H93NO8	811.69012	http://www.hmdb.ca/metabolites/HMDB04978	HMDB	NA	NA
+HMDB00140	Glucosylceramide	C48H93NO8	811.69012	http://www.hmdb.ca/metabolites/HMDB00140	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00140	Glucosylceramide	C48H93NO8	811.69012	HMDB00140	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04978	Glucosylceramide (d18:1/24:0)	C48H93NO8	811.69012	HMDB04978	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00140	Glucosylceramide	C48H93NO8	811.690125	NA	HMDB2010	NA	NA
+HMDB04978	Glucosylceramide (d18:1/24:0)	C48H93NO8	811.690125	NA	HMDB2010	NA	NA
+MJ095212	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3,7-Bis-O-(6-O-malonyl-?-D-glucopyranoside) 	C34H37O23(+)	812.164737	NA	MeJP	NA	NA
+PJ041568	CCCCNMH 	C27H44N10O9S5	812.1897	NA	PeJP	NA	NA
+PJ041569	CCNDDDE 	C27H40N8O17S2	812.1953	NA	PeJP	NA	NA
+PJ041570	GSTCCCCH 	C27H44N10O11S4	812.2074	NA	PeJP	NA	NA
+MJ095213	Glucitol, Hexakis(3-pyridinecarboxylate) 	C42H32N6O12	812.20782	NA	MeJP	NA	NA
+PJ041571	GCCDDDW 	C31H40N8O14S2	812.2106	NA	PeJP	NA	NA
+PJ041572	GSSCDDDD 	C27H40N8O19S	812.2131	NA	PeJP	NA	NA
+PJ041573	GSPCCCDE 	C28H44N8O14S3	812.214	NA	PeJP	NA	NA
+PJ041574	GPPCCCCM 	C29H48N8O9S5	812.2148	NA	PeJP	NA	NA
+MJ095214	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-(2-O-acetyl-?-D-xylopyranoside) 	C39H41O19(+)	812.216379	NA	MeJP	NA	NA
+PJ041575	SSSSCCCH 	C27H44N10O13S3	812.2252	NA	PeJP	NA	NA
+MJ095215	Pradimicin D; N-De-Me 	C38H40N2O18	812.227612	NA	MeJP	NA	NA
+PJ041576	SPCCCDW 	C32H44N8O11S3	812.2292	NA	PeJP	NA	NA
+PJ041577	SCNDDEM 	C28H44N8O16S2	812.2317	NA	PeJP	NA	NA
+PJ041578	PCCNDMM 	C29H48N8O11S4	812.2326	NA	PeJP	NA	NA
+PJ041579	CCMMYY 	C34H48N6O9S4	812.2366	NA	PeJP	NA	NA
+FL5FCCGA0008	Rhamnetin 3-rhamnosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside	C36H44O21	812.2375	83170-27-8	knapsack	NA	NA
+MJ095216	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C36H44O21	812.237508	NA	MeJP	NA	NA
+PJ041580	GCCCNQW 	C31H44N10O10S3	812.2404	NA	PeJP	NA	NA
+PJ041581	GGGGACCCW 	C31H44N10O10S3	812.2405	NA	PeJP	NA	NA
+PJ041582	SCCDDDR 	C27H44N10O15S2	812.2429	NA	PeJP	NA	NA
+PJ041583	GGGGGSTCCD 	C27H44N10O15S2	812.243	NA	PeJP	NA	NA
+PJ041584	PCCCCER 	C28H48N10O10S4	812.2438	NA	PeJP	NA	NA
+PJ041585	GNDDDDY 	C31H40N8O18	812.2461	NA	PeJP	NA	NA
+PJ041586	GSCDDMW 	C32H44N8O13S2	812.247	NA	PeJP	NA	NA
+PJ041587	APCCCMW 	C33H48N8O8S4	812.2478	NA	PeJP	NA	NA
+PJ041588	GSSSDDDM 	C28H44N8O18S	812.2495	NA	PeJP	NA	NA
+PJ041589	GNDDMMM 	C29H48N8O13S3	812.2503	NA	PeJP	NA	NA
+PJ041590	CCDFYY 	C37H44N6O11S2	812.251	NA	PeJP	NA	NA
+PJ041591	PCCCNHH 	C30H44N12O9S3	812.2517	NA	PeJP	NA	NA
+PJ041592	SSCCNNW 	C31H44N10O12S2	812.2582	NA	PeJP	NA	NA
+PJ041593	SSSSCNND 	C27H44N10O17S	812.2607	NA	PeJP	NA	NA
+PJ041594	SCNNNMM 	C28H48N10O12S3	812.2615	NA	PeJP	NA	NA
+PJ041595	GCCDEMR 	C28H48N10O12S3	812.2616	NA	PeJP	NA	NA
+PJ041596	SCCEWW 	C36H44N8O10S2	812.2622	NA	PeJP	NA	NA
+PJ041597	SSSCDEW 	C32H44N8O15S	812.2647	NA	PeJP	NA	NA
+PJ041598	CNEMMW 	C33H48N8O10S3	812.2656	NA	PeJP	NA	NA
+PJ041599	SSSSSDDE 	C28H44N8O20	812.2672	NA	PeJP	NA	NA
+PJ041600	SSNDEMM 	C29H48N8O15S2	812.2681	NA	PeJP	NA	NA
+PJ041601	SCDYYY 	C37H44N6O13S	812.2687	NA	PeJP	NA	NA
+PJ041602	SPCNMMM 	C30H52N8O10S4	812.2689	NA	PeJP	NA	NA
+PJ041603	GGSPCMMM 	C30H52N8O10S4	812.269	NA	PeJP	NA	NA
+PJ041604	GCNDMHH 	C30H44N12O11S2	812.2694	NA	PeJP	NA	NA
+PJ041605	CCMFFY 	C38H48N6O8S3	812.2696	NA	PeJP	NA	NA
+PJ041606	DEEEEY 	C33H44N6O18	812.2712	NA	PeJP	NA	NA
+MJ095217	Azureomycin; Azureomycin B 	C35H46N3O19	812.272551	NA	MeJP	NA	NA
+PJ041607	SCCCNQR 	C27H48N12O11S3	812.2728	NA	PeJP	NA	NA
+MJ095218	Egonol; O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C37H48O20	812.273893	NA	MeJP	NA	NA
+PJ041608	GCNNNEY 	C31H44N10O14S	812.2759	NA	PeJP	NA	NA
+PJ041609	GGGCNNEY 	C31H44N10O14S	812.276	NA	PeJP	NA	NA
+PJ041610	CCDMRW 	C32H48N10O9S3	812.2768	NA	PeJP	NA	NA
+PJ041611	SSCDDMR 	C28H48N10O14S2	812.2793	NA	PeJP	NA	NA
+PJ041612	CNDEFW 	C36H44N8O12S	812.28	NA	PeJP	NA	NA
+PJ041613	PTCCCMR 	C29H52N10O9S4	812.2802	NA	PeJP	NA	NA
+PJ041614	GCMMWW 	C37H48N8O7S3	812.2808	NA	PeJP	NA	NA
+PJ041615	GSNDEEY 	C32H44N8O17	812.2825	NA	PeJP	NA	NA
+PJ041616	GSSDMMW 	C33H48N8O12S2	812.2833	NA	PeJP	NA	NA
+PJ041617	GGGPCEMY 	C33H48N8O12S2	812.2834	NA	PeJP	NA	NA
+PJ041618	CCQHHW 	C34H44N12O8S2	812.2847	NA	PeJP	NA	NA
+PJ041619	GSSSSEEM 	C29H48N8O17S	812.2858	NA	PeJP	NA	NA
+PJ041620	GSQEMMM 	C30H52N8O12S3	812.2867	NA	PeJP	NA	NA
+PJ041621	SSCNEHH 	C30H44N12O13S	812.2872	NA	PeJP	NA	NA
+PJ041622	SCMFYY 	C38H48N6O10S2	812.2873	NA	PeJP	NA	NA
+PJ041623	ACMYYY 	C38H48N6O10S2	812.2874	NA	PeJP	NA	NA
+PJ041624	EEEEMF 	C34H48N6O15S	812.2899	NA	PeJP	NA	NA
+PJ041625	GSSSCCNR 	C27H48N12O13S2	812.2906	NA	PeJP	NA	NA
+PJ041626	CNNNYW 	C35H44N10O11S	812.2912	NA	PeJP	NA	NA
+PJ041627	SSNNNDY 	C31H44N10O16	812.2937	NA	PeJP	NA	NA
+PJ041628	GPCCDRY 	C32H48N10O11S2	812.2946	NA	PeJP	NA	NA
+PJ041629	GCDFWW 	C40H44N8O9S	812.2952	NA	PeJP	NA	NA
+PJ041630	SSSSSNNM 	C28H48N10O16S	812.2971	NA	PeJP	NA	NA
+PJ041631	SNDEYW 	C36H44N8O14	812.2977	NA	PeJP	NA	NA
+PJ041632	GSCEMMR 	C29H52N10O11S3	812.2979	NA	PeJP	NA	NA
+PJ041633	GGSCCQKM 	C29H52N10O11S3	812.298	NA	PeJP	NA	NA
+PJ041634	STCMWW 	C37H48N8O9S2	812.2986	NA	PeJP	NA	NA
+PJ041635	SSSSEMW 	C33H48N8O14S	812.3011	NA	PeJP	NA	NA
+PJ041636	SQMMMW 	C34H52N8O9S3	812.302	NA	PeJP	NA	NA
+PJ041637	GSSCHHW 	C34H44N12O10S	812.3024	NA	PeJP	NA	NA
+PJ041638	CCFFFF 	C42H48N6O7S2	812.3026	NA	PeJP	NA	NA
+PJ041639	SSSSSTEE 	C29H48N8O19	812.3036	NA	PeJP	NA	NA
+MJ095219	11-Hydroxymeliacarpin; 1,3-Dicinnamoyl 	C45H48O14	812.304406	NA	MeJP	NA	NA
+MJ095220	Sophoraflavanone I; 7-O-?-D-Glucopyranoside 	C45H48O14	812.304406	NA	MeJP	NA	NA
+PJ041640	SSTQEMM 	C30H52N8O14S2	812.3045	NA	PeJP	NA	NA
+PJ041641	GSSSSDHH 	C30H44N12O15	812.3049	NA	PeJP	NA	NA
+PJ041642	GGGNNEEH 	C30H44N12O15	812.305	NA	PeJP	NA	NA
+PJ041643	SSMYYY 	C38H48N6O12S	812.3051	NA	PeJP	NA	NA
+PJ041644	AAQMMMM 	C31H56N8O9S4	812.3053	NA	PeJP	NA	NA
+PJ041645	GGGVMMMM 	C31H56N8O9S4	812.3054	NA	PeJP	NA	NA
+PJ041646	GCCNNFR 	C31H48N12O10S2	812.3058	NA	PeJP	NA	NA
+PJ041647	GSPDDHW 	C35H44N10O13	812.309	NA	PeJP	NA	NA
+PJ041648	SCCCNKR 	C28H52N12O10S3	812.3092	NA	PeJP	NA	NA
+PJ041649	APPCCHW 	C36H48N10O8S2	812.3098	NA	PeJP	NA	NA
+MJ095221	Terracinolide A; 1?-Acetoxy, 13?-hydroxy, 6-debenzoyl, 15-deacetyl, 6-Ac 	C38H52O19	812.310279	NA	MeJP	NA	NA
+PJ041650	NDDMRY 	C32H48N10O13S	812.3123	NA	PeJP	NA	NA
+PJ041651	GGGGGGGTMY 	C32H48N10O13S	812.3124	NA	PeJP	NA	NA
+PJ041652	GSDYWW 	C40H44N8O11	812.313	NA	PeJP	NA	NA
+PJ041653	SCMMRW 	C33H52N10O8S3	812.3132	NA	PeJP	NA	NA
+PJ041654	DMHHHH 	C33H44N14O9S	812.3137	NA	PeJP	NA	NA
+PJ041655	GSSSSSSSQ 	C28H48N10O18	812.3148	NA	PeJP	NA	NA
+PJ041656	SSSDMMR 	C29H52N10O13S2	812.3157	NA	PeJP	NA	NA
+PJ041657	SNNNNNH 	C29H44N14O14	812.3162	NA	PeJP	NA	NA
+PJ041658	ANEMYW 	C37H48N8O11S	812.3163	NA	PeJP	NA	NA
+PJ041659	GQEMYW 	C37H48N8O11S	812.3164	NA	PeJP	NA	NA
+PJ041660	NMMMMR 	C30H56N10O8S4	812.3166	NA	PeJP	NA	NA
+PJ041661	GTCCHHR 	C30H48N14O9S2	812.317	NA	PeJP	NA	NA
+PJ041662	ASSQEEY 	C33H48N8O16	812.3188	NA	PeJP	NA	NA
+PJ041663	GSTQEEY 	C33H48N8O16	812.3189	NA	PeJP	NA	NA
+PJ041664	GSTTMMW 	C34H52N8O11S2	812.3197	NA	PeJP	NA	NA
+PJ041665	NNNEHW 	C34H44N12O12	812.3202	NA	PeJP	NA	NA
+PJ041666	ACFFYY 	C42H48N6O9S	812.3204	NA	PeJP	NA	NA
+PJ041667	CCKHHW 	C35H48N12O7S2	812.3211	NA	PeJP	NA	NA
+PJ041668	GSSTTTEM 	C30H52N8O16S	812.3222	NA	PeJP	NA	NA
+PJ041669	PEEEFY 	C38H48N6O14	812.3229	NA	PeJP	NA	NA
+PJ041670	GSKEMMM 	C31H56N8O11S3	812.3231	NA	PeJP	NA	NA
+PJ041671	GSCNNRY 	C31H48N12O12S	812.3236	NA	PeJP	NA	NA
+PJ041672	LEEEMY 	C35H52N6O14S	812.3263	NA	PeJP	NA	NA
+PJ041673	GCERYW 	C36H48N10O10S	812.3276	NA	PeJP	NA	NA
+PJ041674	GSSDERY 	C32H48N10O15	812.3301	NA	PeJP	NA	NA
+PJ041675	GSPCMRY 	C33H52N10O10S2	812.331	NA	PeJP	NA	NA
+PJ041676	GPNDHHH 	C33H44N14O11	812.3314	NA	PeJP	NA	NA
+PJ041677	GGGPDHHH 	C33H44N14O11	812.3315	NA	PeJP	NA	NA
+PJ041678	QMYWW 	C41H48N8O8S	812.3316	NA	PeJP	NA	NA
+PJ041679	SSSSSCQK 	C29H52N10O15S	812.3335	NA	PeJP	NA	NA
+PJ041680	STQEYW 	C37H48N8O13	812.3341	NA	PeJP	NA	NA
+PJ041681	GSTMMMR 	C30H56N10O10S3	812.3343	NA	PeJP	NA	NA
+PJ041682	SSSCHHR 	C30H48N14O11S	812.3348	NA	PeJP	NA	NA
+PJ041683	AQMMFW 	C38H52N8O8S2	812.335	NA	PeJP	NA	NA
+PJ041684	GNNHWW 	C38H44N12O9	812.3355	NA	PeJP	NA	NA
+PJ041685	SSTTTMW 	C34H52N8O13S	812.3375	NA	PeJP	NA	NA
+PJ041686	AAYYYY 	C42H48N6O11	812.3381	NA	PeJP	NA	NA
+PJ041687	SKMMMW 	C35H56N8O8S3	812.3383	NA	PeJP	NA	NA
+PJ041688	GPCKMMF 	C35H56N8O8S3	812.3384	NA	PeJP	NA	NA
+PJ041689	PCDHRW 	C35H48N12O9S	812.3388	NA	PeJP	NA	NA
+PJ041690	SSSTTTTE 	C30H52N8O18	812.34	NA	PeJP	NA	NA
+PJ041691	TTTTQMM 	C31H56N8O13S2	812.3408	NA	PeJP	NA	NA
+PJ041692	SSTKEMM 	C31H56N8O13S2	812.3409	NA	PeJP	NA	NA
+PJ041693	NEEEHR 	C31H48N12O14	812.3413	NA	PeJP	NA	NA
+PJ041694	GGGGGGSVEH 	C31H48N12O14	812.3414	NA	PeJP	NA	NA
+PJ041695	AAKMMMM 	C32H60N8O8S4	812.3417	NA	PeJP	NA	NA
+PJ041696	CCEFRR 	C32H52N12O9S2	812.3422	NA	PeJP	NA	NA
+PJ041697	CRYWW 	C40H48N10O7S	812.3428	NA	PeJP	NA	NA
+PJ041698	GPMHWW 	C40H48N10O7S	812.3429	NA	PeJP	NA	NA
+PJ041699	SSDRYW 	C36H48N10O12	812.3453	NA	PeJP	NA	NA
+PJ041700	VNEEHW 	C36H48N10O12	812.3454	NA	PeJP	NA	NA
+PJ041701	ACMFRW 	C37H52N10O7S2	812.3462	NA	PeJP	NA	NA
+PJ041702	SQEMRY 	C33H52N10O12S	812.3487	NA	PeJP	NA	NA
+PJ041703	GTTYWW 	C41H48N8O10	812.3494	NA	PeJP	NA	NA
+PJ041704	CNHHFR 	C34H48N14O8S	812.3501	NA	PeJP	NA	NA
+PJ041705	GSSSSSSSK 	C29H52N10O17	812.3512	NA	PeJP	NA	NA
+PJ041706	SSTTMMR 	C30H56N10O12S2	812.3521	NA	PeJP	NA	NA
+PJ041707	DDDHRR 	C30H48N14O13	812.3526	NA	PeJP	NA	NA
+PJ041708	GKEMYW 	C38H52N8O10S	812.3527	NA	PeJP	NA	NA
+PJ041709	GGAAPMFY 	C38H52N8O10S	812.3528	NA	PeJP	NA	NA
+PJ041710	GSTKEEY 	C34H52N8O15	812.3552	NA	PeJP	NA	NA
+PJ041711	PPVNEEE 	C34H52N8O15	812.3553	NA	PeJP	NA	NA
+PJ041712	GSPKMMY 	C35H56N8O10S2	812.3561	NA	PeJP	NA	NA
+PJ041713	GEEHRW 	C35H48N12O11	812.3566	NA	PeJP	NA	NA
+3214	Casoxin from bovine kappa-casein fr: 35-41	YPSYGLN	812.3579	celiac toxic	Inhouse_peptide	NA	peptide
+PJ041714	SSSSTTLM 	C31H56N8O15S	812.3586	NA	PeJP	NA	NA
+PJ041715	PLEEYY 	C39H52N6O13	812.3593	NA	PeJP	NA	NA
+PJ041716	ATTKMMM 	C32H60N8O10S3	812.3595	NA	PeJP	NA	NA
+PJ041717	SSSKMHH 	C32H52N12O11S	812.3599	NA	PeJP	NA	NA
+PJ041718	SCERRY 	C32H52N12O11S	812.36	NA	PeJP	NA	NA
+PJ041719	GVEHWW 	C40H48N10O9	812.3606	NA	PeJP	NA	NA
+PJ041720	GTMRYW 	C37H52N10O9S	812.364	NA	PeJP	NA	NA
+PJ041721	QFFWW 	C45H48N8O7	812.3646	NA	PeJP	NA	NA
+PJ041722	GSTTERY 	C33H52N10O14	812.3665	NA	PeJP	NA	NA
+PJ041723	VNMMRY 	C34H56N10O9S2	812.3673	NA	PeJP	NA	NA
+PJ041724	GGVMMRY 	C34H56N10O9S2	812.3674	NA	PeJP	NA	NA
+PJ041725	SNNHRW 	C34H48N14O10	812.3678	NA	PeJP	NA	NA
+PJ041726	KMYWW 	C42H52N8O7S	812.368	NA	PeJP	NA	NA
+PJ041727	SSSSSCKK 	C30H56N10O14S	812.3698	NA	PeJP	NA	NA
+PJ041728	STKEYW 	C38H52N8O12	812.3705	NA	PeJP	NA	NA
+PJ041729	TCCCKKK 	C31H60N10O9S3	812.3707	NA	PeJP	NA	NA
+PJ041730	NQQMHR 	C31H52N14O10S	812.3712	NA	PeJP	NA	NA
+PJ041731	AKMMFW 	C39H56N8O7S2	812.3714	NA	PeJP	NA	NA
+PJ041732	EHRWW 	C39H48N12O8	812.3718	NA	PeJP	NA	NA
+PJ041733	DKKEMY 	C35H56N8O12S	812.3739	NA	PeJP	NA	NA
+PJ041734	SPMHRW 	C36H52N12O8S	812.3752	NA	PeJP	NA	NA
+PJ041735	VHWWW 	C44H48N10O6	812.3759	NA	PeJP	NA	NA
+PJ041736	STTTTTTT 	C31H56N8O17	812.3764	NA	PeJP	NA	NA
+PJ041737	TTTTKMM 	C32H60N8O12S2	812.3772	NA	PeJP	NA	NA
+PJ041738	DKEEHR 	C32H52N12O13	812.3777	NA	PeJP	NA	NA
+PJ041739	GGGGGGGGGAPL 	C32H52N12O13	812.3778	NA	PeJP	NA	NA
+PJ041740	GMMRRY 	C33H56N12O8S2	812.3786	NA	PeJP	NA	NA
+PJ041741	STTRYW 	C37H52N10O11	812.3817	NA	PeJP	NA	NA
+PJ041742	GGGPPDKW 	C37H52N10O11	812.3818	NA	PeJP	NA	NA
+PJ041743	CNQHRR 	C30H52N16O9S	812.3824	NA	PeJP	NA	NA
+MJ095222	1,3-Dihydroxypregna-5,16-dien-20-one, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-6-O-acetyl-?-D-glucopyranoside] 	C40H60O17	812.38305	NA	MeJP	NA	NA
+PJ041744	VHHHHF 	C38H48N14O7	812.3831	NA	PeJP	NA	NA
+PJ041745	SKEMRY 	C34H56N10O11S	812.3851	NA	PeJP	NA	NA
+PJ041746	AVQFYW 	C42H52N8O9	812.3857	NA	PeJP	NA	NA
+PJ041747	PPVEWW 	C42H52N8O9	812.3858	NA	PeJP	NA	NA
+PJ041748	SEEHRR 	C31H52N14O12	812.3889	NA	PeJP	NA	NA
+PJ041749	TDEHRR 	C31H52N14O12	812.389	NA	PeJP	NA	NA
+PJ041750	SVKMYW 	C39H56N8O9S	812.3891	NA	PeJP	NA	NA
+PJ041751	SSSLKEY 	C35H56N8O14	812.3916	NA	PeJP	NA	NA
+MJ095223	Remangiflavanone C 	C51H56O9	812.392433	NA	MeJP	NA	NA
+PJ041752	LQKMMY 	C36H60N8O9S2	812.3925	NA	PeJP	NA	NA
+PJ041753	SVEHRW 	C36H52N12O10	812.393	NA	PeJP	NA	NA
+PJ041754	LLEEFY 	C40H56N6O12	812.3956	NA	PeJP	NA	NA
+PJ041755	STMRRY 	C33H56N12O10S	812.3963	NA	PeJP	NA	NA
+PJ041756	GALEMHR 	C33H56N12O10S	812.3964	NA	PeJP	NA	NA
+PJ041757	ATLHWW 	C41H52N10O8	812.397	NA	PeJP	NA	NA
+PJ041758	GSSNHRR 	C30H52N16O11	812.4002	NA	PeJP	NA	NA
+PJ041759	VLQMHW 	C38H56N10O8S	812.4004	NA	PeJP	NA	NA
+PJ041760	KFFWW 	C46H52N8O6	812.401	NA	PeJP	NA	NA
+PJ041761	SSSTLRY 	C34H56N10O13	812.4028	NA	PeJP	NA	NA
+PJ041762	GGSSSKKY 	C34H56N10O13	812.4029	NA	PeJP	NA	NA
+PJ041763	CLKMRY 	C35H60N10O8S2	812.4037	NA	PeJP	NA	NA
+PJ041764	GPTKHHH 	C35H52N14O9	812.4042	NA	PeJP	NA	NA
+PJ041765	APPTLEW 	C39H56N8O11	812.4069	NA	PeJP	NA	NA
+PJ041766	VDMHRR 	C32H56N14O9S	812.4076	NA	PeJP	NA	NA
+PJ041767	APHFRW 	C40H52N12O7	812.4082	NA	PeJP	NA	NA
+PJ041768	ASTLKMY 	C36H60N8O11S	812.4102	NA	PeJP	NA	NA
+PJ041769	GTTLKMY 	C36H60N8O11S	812.4103	NA	PeJP	NA	NA
+PJ041770	ALMHRW 	C37H56N12O7S	812.4116	NA	PeJP	NA	NA
+PJ041771	GTTLEHR 	C33H56N12O12	812.4141	NA	PeJP	NA	NA
+PJ041772	VQHHHR 	C34H52N16O8	812.4154	NA	PeJP	NA	NA
+PJ041773	GGLHHHR 	C34H52N16O8	812.4155	NA	PeJP	NA	NA
+3709	NA	SSRDRNKPFKFML	812.4181	MH2+	Inhouse_peptide	NA	peptide
+PJ041774	TLKEHW 	C38H56N10O10	812.4181	NA	PeJP	NA	NA
+PJ041775	CNKHRR 	C31H56N16O8S	812.4188	NA	PeJP	NA	NA
+MJ095224	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H64O16	812.419436	NA	MeJP	NA	NA
+MJ095225	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside] 	C41H64O16	812.419436	NA	MeJP	NA	NA
+PJ041776	GSCKKKY 	C35H60N10O10S	812.4215	NA	PeJP	NA	NA
+PJ041777	GLKFYW 	C43H56N8O8	812.4221	NA	PeJP	NA	NA
+MJ095226	Segetalin E 	C43H56N8O8	812.42211	NA	MeJP	NA	NA
+PJ041778	GAPKFFF 	C43H56N8O8	812.4222	NA	PeJP	NA	NA
+PJ041779	PQQERR 	C32H56N14O11	812.4253	NA	PeJP	NA	NA
+PJ041780	GGAAPERR 	C32H56N14O11	812.4254	NA	PeJP	NA	NA
+PJ041781	GPPLLMW 	C40H60N8O8S	812.4255	NA	PeJP	NA	NA
+PJ041782	AHHHRR 	C33H52N18O7	812.4267	NA	PeJP	NA	NA
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	http://www.hmdb.ca/metabolites/HMDB04877	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	http://www.hmdb.ca/metabolites/HMDB04877	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	http://www.hmdb.ca/metabolites/HMDB04877	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	http://www.hmdb.ca/metabolites/HMDB04877	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	http://www.hmdb.ca/metabolites/HMDB04877	HMDB	NA	NA
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	http://www.hmdb.ca/metabolites/HMDB04877	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C37H66NO18	812.42798	HMDB04877	PFEM_hmdb_metabocards_official	NA	NA
+PJ041783	STTTLKY 	C36H60N8O13	812.428	NA	PeJP	NA	NA
+PJ041784	LKKMMY 	C37H64N8O8S2	812.4289	NA	PeJP	NA	NA
+PJ041785	TTLHRW 	C37H56N12O9	812.4294	NA	PeJP	NA	NA
+PJ041786	LLLEYY 	C41H60N6O11	812.432	NA	PeJP	NA	NA
+PJ041787	LKEMHR 	C34H60N12O9S	812.4327	NA	PeJP	NA	NA
+PJ041788	PVKHFW 	C42H56N10O7	812.4334	NA	PeJP	NA	NA
+PJ041789	PNDRRR 	C31H56N16O10	812.4366	NA	PeJP	NA	NA
+PJ041790	VLKMHW 	C39H60N10O7S	812.4368	NA	PeJP	NA	NA
+PJ041791	PPTTLER 	C35H60N10O12	812.4392	NA	PeJP	NA	NA
+PJ041792	GPLLEER 	C35H60N10O12	812.4393	NA	PeJP	NA	NA
+PJ041793	APQRRW 	C36H56N14O8	812.4406	NA	PeJP	NA	NA
+MJ095227	Pseudostellarin C 	C40H60N8O10	812.44324	NA	MeJP	NA	NA
+PJ041794	GPVLLEW 	C40H60N8O10	812.4433	NA	PeJP	NA	NA
+PJ041795	TLMHRR 	C33H60N14O8S	812.444	NA	PeJP	NA	NA
+PJ041796	ASPPCILL 	C37H64N8O10S	812.4466	NA	PeJP	NA	NA
+PJ041797	PPVLKEM 	C37H64N8O10S	812.4467	NA	PeJP	NA	NA
+PJ041798	SSTLLHR 	C34H60N12O11	812.4505	NA	PeJP	NA	NA
+PJ041799	VKHHHR 	C35H56N16O7	812.4518	NA	PeJP	NA	NA
+PJ041800	PLLERW 	C39H60N10O9	812.4545	NA	PeJP	NA	NA
+C08932	Bayogenin 3-O-cellobioside	C42H68O15	812.4558	NA	KEGG	NA	NA
+MJ095228	12-Oleanene-3,16,22,28-tetrol, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranoside 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095229	12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095230	12-Oleanene-3,16,28,29-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095231	12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095232	12-Oleanene-3,22,24,30-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095233	2,3,16,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095234	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095235	2,3,19-Trihydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095236	2,3,19-Trihydroxy-12-ursen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095237	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095238	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095239	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095240	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095241	2,3,6,16-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-L-rhamnopyranosyl ester 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095242	3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one, 23,24-Dihydro, 22-ketone, 3-O-[?-L-rhamnopyranosyl-(1r2)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095243	3,16,20,22,25-Pentahydroxycucurbita-5,23-dien-11-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095244	3,16,20,25-Tetrahydroxycucurbita-5,23-dien-11-one, 3-O-?-D-Gentiobioside 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095245	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095246	3,17,22,24-Tetrahydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095247	3,21,23-Trihydroxy-12-oleanen-28-oic acid, 21-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+MJ095248	3,22,24,29-Tetrahydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O15	812.455821	NA	MeJP	NA	NA
+5462	aurein 3,1,2	FDIVKKIAGHIAGSIG	812.45695	MH2+	Inhouse_peptide	NA	peptide
+PJ041801	SPPLLMR 	C36H64N10O9S	812.4579	NA	PeJP	NA	NA
+PJ041802	PVLLWW 	C44H60N8O7	812.4585	NA	PeJP	NA	NA
+PJ041803	PQKERR 	C33H60N14O10	812.4617	NA	PeJP	NA	NA
+PJ041804	LKKMFF 	C41H64N8O7S	812.4619	NA	PeJP	NA	NA
+PJ041805	PVVLKEE 	C37H64N8O12	812.4644	NA	PeJP	NA	NA
+PJ041806	PVQKRW 	C38H60N12O8	812.4657	NA	PeJP	NA	NA
+PJ041807	GGPLKRW 	C38H60N12O8	812.4658	NA	PeJP	NA	NA
+PJ041808	GPPKKMR 	C35H64N12O8S	812.4691	NA	PeJP	NA	NA
+PJ041809	PTQRRR 	C32H60N16O9	812.473	NA	PeJP	NA	NA
+PJ041810	SPVLLER 	C36H64N10O11	812.4756	NA	PeJP	NA	NA
+PJ041811	GGPVVKKE 	C36H64N10O11	812.4757	NA	PeJP	NA	NA
+PJ041812	APKRRW 	C37H60N14O7	812.477	NA	PeJP	NA	NA
+MJ095249	Glabrin C 	C41H64N8O9	812.479625	NA	MeJP	NA	NA
+PJ041813	APTLLLW 	C41H64N8O9	812.4797	NA	PeJP	NA	NA
+PJ041814	PVLLLQM 	C38H68N8O9S	812.483	NA	PeJP	NA	NA
+PJ041815	GPVKKER 	C35H64N12O10	812.4869	NA	PeJP	NA	NA
+PJ041816	AAPLKKW 	C40H64N10O8	812.4909	NA	PeJP	NA	NA
+MJ095250	Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 24-O-[4-O-acetyl-?-D-xylopyranoside] 	C43H72O14	812.492207	NA	MeJP	NA	NA
+PJ041817	APLLLMR 	C37H68N10O8S	812.4943	NA	PeJP	NA	NA
+PJ041818	PKKERR 	C34H64N14O9	812.4981	NA	PeJP	NA	NA
+PJ041819	PTLLLKE 	C38H68N8O11	812.5008	NA	PeJP	NA	NA
+PJ041820	PVKKRW 	C39H64N12O7	812.5021	NA	PeJP	NA	NA
+MJ095251	4,5,6,28,33,37,42,45-Octahydroxy-14-oxo-26,43-heptatetracontadiene-2,31,34,46-tetraynoic acid 	C47H72O11	812.507463	NA	MeJP	NA	NA
+MJ095252	Osirisyne A 	C47H72O11	812.507463	NA	MeJP	NA	NA
+PJ041821	PTKRRR 	C33H64N16O8	812.5093	NA	PeJP	NA	NA
+PJ041822	GGVLRRR 	C33H64N16O8	812.5094	NA	PeJP	NA	NA
+PJ041823	GLLLLER 	C37H68N10O10	812.512	NA	PeJP	NA	NA
+PJ041824	GVLLLLW 	C42H68N8O8	812.516	NA	PeJP	NA	NA
+PJ041825	PVLLLKM 	C39H72N8O8S	812.5194	NA	PeJP	NA	NA
+PJ041826	GLRRRR 	C32H64N18O7	812.5206	NA	PeJP	NA	NA
+PJ041827	APTLKKR 	C36H68N12O9	812.5233	NA	PeJP	NA	NA
+PJ041828	LLLLRW 	C41H68N10O7	812.5273	NA	PeJP	NA	NA
+MJ095253	Antibiotic CP 73064 	C44H76O13	812.528592	NA	MeJP	NA	NA
+PJ041829	LLQKRR 	C35H68N14O8	812.5345	NA	PeJP	NA	NA
+PJ041830	VVLLLKE 	C39H72N8O10	812.5372	NA	PeJP	NA	NA
+PJ041831	VVKRRR 	C34H68N16O7	812.5457	NA	PeJP	NA	NA
+PJ041832	SVLLLLR 	C38H72N10O9	812.5484	NA	PeJP	NA	NA
+PJ041833	GVLLKKR 	C37H72N12O8	812.5596	NA	PeJP	NA	NA
+PJ041834	LLKKRR 	C36H72N14O7	812.5709	NA	PeJP	NA	NA
+PJ041835	TLLLLLK 	C40H76N8O9	812.5736	NA	PeJP	NA	NA
+PJ041836	ALLLKKK 	C39H76N10O8	812.5848	NA	PeJP	NA	NA
+MJ095254	Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-Hexadecanoyl-?-D-glucopyranoside] 	C51H88O7	812.653005	NA	MeJP	NA	NA
+MJ095255	Stigmasta-7,22-dien-3-ol, O-(6-O-Hexadecanoyl-?-D-glucopyranoside) 	C51H88O7	812.653005	NA	MeJP	NA	NA
+HMDB12107	SM(d18:1/24:1(15Z))	C47H93N2O6P	812.677124	NA	HMDB2010	NA	NA
+8208	RL-C10/G10 - synthetic peptide	AMRLTYNRPGLYAT	812.91015	MH2+	Inhouse_peptide	NA	peptide
+FL7AAHGL0020	Petunidin 3,7-di-(6-malonylglucoside)	C34H37O23	813.17256	775562-26-0	knapsack	NA	NA
+PJ041837	CCCCDMH 	C27H43N9O10S5	813.1737	NA	PeJP	NA	NA
+PJ041838	CCDDDDE 	C27H39N7O18S2	813.1793	NA	PeJP	NA	NA
+PJ041839	GPCCCCND 	C27H43N9O12S4	813.1914	NA	PeJP	NA	NA
+PJ041840	GGGPCCCCD 	C27H43N9O12S4	813.1915	NA	PeJP	NA	NA
+PJ041841	GCCCCYY 	C32H43N7O10S4	813.1954	NA	PeJP	NA	NA
+PJ041842	CCNNDDM 	C27H43N9O14S3	813.2092	NA	PeJP	NA	NA
+PJ041843	SCCCMMH 	C28H47N9O9S5	813.2101	NA	PeJP	NA	NA
+MJ095256	Benanomicin A; 2'-De-Me 	C38H39NO19	813.211628	NA	MeJP	NA	NA
+PJ041844	SCDDDEM 	C28H43N7O17S2	813.2157	NA	PeJP	NA	NA
+PJ041845	PCCDDMM 	C29H47N7O12S4	813.2166	NA	PeJP	NA	NA
+PJ041846	GSCCCNNN 	C26H43N11O13S3	813.2204	NA	PeJP	NA	NA
+PJ041847	GGGGGGGSCCC 	C26H43N11O13S3	813.2205	NA	PeJP	NA	NA
+FL7AAIGL0015	Malvidin 3-(6''-p-coumarylglucoside)-5-(2'''-acetylxyloside)	C39H41O19	813.2242	148100-99-6<BR>148154-67-0	knapsack	NA	NA
+PJ041848	GCCCNEW 	C31H43N9O11S3	813.2244	NA	PeJP	NA	NA
+PJ041849	GGGCCCEW 	C31H43N9O11S3	813.2245	NA	PeJP	NA	NA
+PJ041850	GSSCCNDE 	C27H43N9O16S2	813.227	NA	PeJP	NA	NA
+PJ041851	GSPCCCNM 	C28H47N9O11S4	813.2278	NA	PeJP	NA	NA
+PJ041852	GDDDDDY 	C31H39N7O19	813.2301	NA	PeJP	NA	NA
+PJ041853	PCCDDDF 	C32H43N7O14S2	813.231	NA	PeJP	NA	NA
+PJ041854	GDDDMMM 	C29H47N7O14S3	813.2343	NA	PeJP	NA	NA
+PJ041855	PCCCDHH 	C30H43N11O10S3	813.2357	NA	PeJP	NA	NA
+PJ041856	CCCNWW 	C35H43N9O8S3	813.2397	NA	PeJP	NA	NA
+PJ041857	SSCCNDW 	C31H43N9O13S2	813.2422	NA	PeJP	NA	NA
+PJ041858	ACCCMHF 	C32H47N9O8S4	813.2431	NA	PeJP	NA	NA
+PJ041859	SSSSCNDD 	C27H43N9O18S	813.2447	NA	PeJP	NA	NA
+PJ041860	SCNNDMM 	C28H47N9O13S3	813.2456	NA	PeJP	NA	NA
+PJ041861	SPCDDDY 	C32H43N7O16S	813.2487	NA	PeJP	NA	NA
+PJ041862	CDEMMW 	C33H47N7O11S3	813.2496	NA	PeJP	NA	NA
+PJ041863	SSDDEMM 	C29H47N7O16S2	813.2521	NA	PeJP	NA	NA
+PJ041864	SPCDMMM 	C30H51N7O11S4	813.253	NA	PeJP	NA	NA
+PJ041865	GCDDMHH 	C30H43N11O12S2	813.2534	NA	PeJP	NA	NA
+PJ041866	SCCCNER 	C27H47N11O12S3	813.2568	NA	PeJP	NA	NA
+PJ041867	GCNNDEY 	C31H43N9O15S	813.26	NA	PeJP	NA	NA
+PJ041868	GSCCQMW 	C32H47N9O10S3	813.2608	NA	PeJP	NA	NA
+PJ041869	GGGAPCCCF 	C32H47N9O10S3	813.2609	NA	PeJP	NA	NA
+PJ041870	GSSSCNEM 	C28H47N9O15S2	813.2633	NA	PeJP	NA	NA
+PJ041871	CDDEFW 	C36H43N7O13S	813.264	NA	PeJP	NA	NA
+PJ041872	GCNQMMM 	C29H51N9O10S4	813.2642	NA	PeJP	NA	NA
+PJ041873	SCCNNHH 	C29H43N13O11S2	813.2647	NA	PeJP	NA	NA
+PJ041874	GSDDEEY 	C32H43N7O18	813.2665	NA	PeJP	NA	NA
+PJ041875	GPCDEMY 	C33H47N7O13S2	813.2674	NA	PeJP	NA	NA
+PJ041876	CCEHHW 	C34H43N11O9S2	813.2687	NA	PeJP	NA	NA
+PJ041877	GSEEMMM 	C30H51N7O13S3	813.2707	NA	PeJP	NA	NA
+PJ041878	SSCDEHH 	C30H43N11O14S	813.2712	NA	PeJP	NA	NA
+PJ041879	APCMMMM 	C31H55N7O8S5	813.2716	NA	PeJP	NA	NA
+PJ041880	GSCCCRW 	C31H47N11O9S3	813.2721	NA	PeJP	NA	NA
+PJ041881	GSSSCCDR 	C27H47N11O14S2	813.2746	NA	PeJP	NA	NA
+PJ041882	CNNDYW 	C35H43N9O12S	813.2752	NA	PeJP	NA	NA
+PJ041883	GCCNMMR 	C28H51N11O9S4	813.2754	NA	PeJP	NA	NA
+PJ041884	GGGCCMMR 	C28H51N11O9S4	813.2755	NA	PeJP	NA	NA
+PJ041885	SSNNDDY 	C31H43N9O17	813.2777	NA	PeJP	NA	NA
+PJ041886	SSSCNMW 	C32H47N9O12S2	813.2786	NA	PeJP	NA	NA
+PJ041887	SSSSSNDM 	C28H47N9O17S	813.2811	NA	PeJP	NA	NA
+PJ041888	SDDEYW 	C36H43N7O15	813.2817	NA	PeJP	NA	NA
+PJ041889	SSNNMMM 	C29H51N9O12S3	813.2819	NA	PeJP	NA	NA
+PJ041890	GGSSNMMM 	C29H51N9O12S3	813.282	NA	PeJP	NA	NA
+PJ041891	PCDMYW 	C37H47N7O10S2	813.2826	NA	PeJP	NA	NA
+PJ041892	NEEEMY 	C33H47N7O15S	813.2851	NA	PeJP	NA	NA
+PJ041893	SEMMMW 	C34H51N7O10S3	813.286	NA	PeJP	NA	NA
+PJ041894	ACCCCRR 	C27H51N13O8S4	813.2867	NA	PeJP	NA	NA
+PJ041895	SSTEEMM 	C30H51N7O15S2	813.2885	NA	PeJP	NA	NA
+PJ041896	GNNDEEH 	C30H43N11O16	813.289	NA	PeJP	NA	NA
+PJ041897	SSPMMMM 	C31H55N7O10S4	813.2893	NA	PeJP	NA	NA
+PJ041898	AAEMMMM 	C31H55N7O10S4	813.2894	NA	PeJP	NA	NA
+PJ041899	GCCNDFR 	C31H47N11O11S2	813.2898	NA	PeJP	NA	NA
+PJ041900	SSCCQMR 	C28H51N11O11S3	813.2932	NA	PeJP	NA	NA
+PJ041901	CNNMFW 	C36H47N9O9S2	813.2938	NA	PeJP	NA	NA
+PJ041902	GGCNMFW 	C36H47N9O9S2	813.2939	NA	PeJP	NA	NA
+PJ041903	GSSSSTCW 	C32H47N9O14S	813.2963	NA	PeJP	NA	NA
+PJ041904	DDDMRY 	C32H47N9O14S	813.2964	NA	PeJP	NA	NA
+PJ041905	GSCCKMW 	C33H51N9O9S3	813.2972	NA	PeJP	NA	NA
+PJ041906	GSSSSSSSE 	C28H47N9O19	813.2988	NA	PeJP	NA	NA
+PJ041907	GSSSSQMM 	C29H51N9O14S2	813.2997	NA	PeJP	NA	NA
+PJ041908	SNNNNDH 	C29H43N13O15	813.3002	NA	PeJP	NA	NA
+PJ041909	GEEMYW 	C37H47N7O12S	813.3004	NA	PeJP	NA	NA
+PJ041910	DMMMMR 	C30H55N9O9S4	813.3006	NA	PeJP	NA	NA
+PJ041911	PCMMFW 	C38H51N7O7S3	813.3012	NA	PeJP	NA	NA
+PJ041912	GSTEEEY 	C33H47N7O17	813.3029	NA	PeJP	NA	NA
+PJ041913	GSPEMMY 	C34H51N7O12S2	813.3037	NA	PeJP	NA	NA
+PJ041914	GAEEMMF 	C34H51N7O12S2	813.3038	NA	PeJP	NA	NA
+PJ041915	NNDEHW 	C34H43N11O13	813.3042	NA	PeJP	NA	NA
+PJ041916	SSCCCRR 	C27H51N13O10S3	813.3044	NA	PeJP	NA	NA
+PJ041917	CLMMMW 	C35H55N7O7S4	813.3046	NA	PeJP	NA	NA
+PJ041918	TCMHHW 	C35H47N11O8S2	813.3051	NA	PeJP	NA	NA
+PJ041919	ATTEMMM 	C31H55N7O12S3	813.3071	NA	PeJP	NA	NA
+PJ041920	GSCNDRY 	C31H47N11O13S	813.3076	NA	PeJP	NA	NA
+PJ041921	QMMMHH 	C32H51N11O8S3	813.3085	NA	PeJP	NA	NA
+PJ041922	GSCHHHH 	C32H43N15O9S	813.3089	NA	PeJP	NA	NA
+PJ041923	ASSSTCCR 	C28H51N11O13S2	813.3109	NA	PeJP	NA	NA
+PJ041924	GSSSSCMR 	C28H51N11O13S2	813.311	NA	PeJP	NA	NA
+PJ041925	SNNMYW 	C36H47N9O11S	813.3116	NA	PeJP	NA	NA
+PJ041926	ACCCKMR 	C29H55N11O8S4	813.3118	NA	PeJP	NA	NA
+PJ041927	SSSSSSSW 	C32H47N9O16	813.3141	NA	PeJP	NA	NA
+PJ041928	SSTCCKW 	C33H51N9O11S2	813.315	NA	PeJP	NA	NA
+PJ041929	GPDDHHH 	C33H43N13O12	813.3155	NA	PeJP	NA	NA
+PJ041930	EMYWW 	C41H47N7O9S	813.3156	NA	PeJP	NA	NA
+PJ041931	SSSSSTQM 	C29H51N9O16S	813.3175	NA	PeJP	NA	NA
+PJ041932	STEEYW 	C37H47N7O14	813.3181	NA	PeJP	NA	NA
+PJ041933	SSCQKMM 	C30H55N9O11S3	813.3183	NA	PeJP	NA	NA
+PJ041934	GGSTCKMM 	C30H55N9O11S3	813.3184	NA	PeJP	NA	NA
+PJ041935	GNNNQMH 	C30H47N13O12S	813.3188	NA	PeJP	NA	NA
+PJ041936	GGGGGGGGAMH 	C30H47N13O12S	813.3189	NA	PeJP	NA	NA
+PJ041937	SPMMYW 	C38H51N7O9S2	813.319	NA	PeJP	NA	NA
+PJ041938	GNDHWW 	C38H43N11O10	813.3195	NA	PeJP	NA	NA
+PJ041939	CMMHHR 	C31H51N13O7S3	813.3197	NA	PeJP	NA	NA
+MJ095257	Auramycin A; 10-Hydroxy 	C41H51NO16	813.320784	NA	MeJP	NA	NA
+MJ095258	Cinerubin A; N-De-Me 	C41H51NO16	813.320784	NA	MeJP	NA	NA
+MJ095259	Taurimycin A 	C41H51NO16	813.320784	NA	MeJP	NA	NA
+PJ041940	DKEEMY 	C34H51N7O14S	813.3215	NA	PeJP	NA	NA
+PJ041941	AAPMMMY 	C35H55N7O9S3	813.3224	NA	PeJP	NA	NA
+PJ041942	GSPCQHW 	C35H47N11O10S	813.3228	NA	PeJP	NA	NA
+PJ041943	GGGPTCHW 	C35H47N11O10S	813.3229	NA	PeJP	NA	NA
+PJ041944	TTTTEMM 	C31H55N7O14S2	813.3249	NA	PeJP	NA	NA
+PJ041945	DEEEHR 	C31H47N11O15	813.3253	NA	PeJP	NA	NA
+PJ041946	GGGTQEEH 	C31H47N11O15	813.3254	NA	PeJP	NA	NA
+PJ041947	GTLMMMM 	C32H59N7O9S4	813.3257	NA	PeJP	NA	NA
+PJ041948	CNQMRY 	C32H51N11O10S2	813.3262	NA	PeJP	NA	NA
+PJ041949	CNHFFF 	C40H47N9O8S	813.3269	NA	PeJP	NA	NA
+PJ041950	SSSSSTCR 	C28H51N11O15S	813.3287	NA	PeJP	NA	NA
+PJ041951	ASSSNYW 	C36H47N9O13	813.3293	NA	PeJP	NA	NA
+PJ041952	GSSSQYW 	C36H47N9O13	813.3294	NA	PeJP	NA	NA
+PJ041953	SSCCKMR 	C29H55N11O10S3	813.3296	NA	PeJP	NA	NA
+PJ041954	GCNNNHR 	C29H47N15O11S	813.3301	NA	PeJP	NA	NA
+PJ041955	CCQKFW 	C37H51N9O8S2	813.3302	NA	PeJP	NA	NA
+PJ041956	SEEMRY 	C33H51N9O13S	813.3327	NA	PeJP	NA	NA
+PJ041957	GGGSPPPDM 	C33H51N9O13S	813.3328	NA	PeJP	NA	NA
+PJ041958	GPEYYW 	C41H47N7O11	813.3334	NA	PeJP	NA	NA
+PJ041959	APPMMMH 	C34H55N9O8S3	813.3336	NA	PeJP	NA	NA
+PJ041960	CDHHFR 	C34H47N13O9S	813.3341	NA	PeJP	NA	NA
+PJ041961	GSSSSSTTT 	C29H51N9O18	813.3352	NA	PeJP	NA	NA
+PJ041962	GSSSSKMM 	C30H55N9O13S2	813.3361	NA	PeJP	NA	NA
+PJ041963	GSNDEHR 	C30H47N13O14	813.3366	NA	PeJP	NA	NA
+PJ041964	SVEMYW 	C38H51N7O11S	813.3367	NA	PeJP	NA	NA
+PJ041965	TCLEYW 	C38H51N7O11S	813.3368	NA	PeJP	NA	NA
+PJ041966	ACCKKMM 	C31H59N9O8S4	813.337	NA	PeJP	NA	NA
+PJ041967	CCNRRY 	C31H51N13O9S2	813.3374	NA	PeJP	NA	NA
+PJ041968	GGCCRRY 	C31H51N13O9S2	813.3375	NA	PeJP	NA	NA
+PJ041969	GMHHFW 	C39H47N11O7S	813.3381	NA	PeJP	NA	NA
+PJ041970	SSSLEEY 	C34H51N7O16	813.3392	NA	PeJP	NA	NA
+PJ041971	VTTTDDY 	C34H51N7O16	813.3393	NA	PeJP	NA	NA
+PJ041972	LQEMMY 	C35H55N7O11S2	813.3401	NA	PeJP	NA	NA
+PJ041973	SQQEHW 	C35H47N11O12	813.3406	NA	PeJP	NA	NA
+PJ041974	STTLMMM 	C32H59N7O11S3	813.3435	NA	PeJP	NA	NA
+PJ041975	GSSNMRY 	C32H51N11O12S	813.344	NA	PeJP	NA	NA
+PJ041976	PPNDWW 	C40H47N9O10	813.3446	NA	PeJP	NA	NA
+PJ041977	KMMMHH 	C33H55N11O7S3	813.3448	NA	PeJP	NA	NA
+PJ041978	SCQKYW 	C37H51N9O10S	813.348	NA	PeJP	NA	NA
+PJ041979	PYYWW 	C45H47N7O8	813.3486	NA	PeJP	NA	NA
+PJ041980	SSSNKEY 	C33H51N9O15	813.3505	NA	PeJP	NA	NA
+PJ041981	NQKMMY 	C34H55N9O10S2	813.3513	NA	PeJP	NA	NA
+PJ041982	VDMMRY 	C34H55N9O10S2	813.3514	NA	PeJP	NA	NA
+PJ041983	SNDHRW 	C34H47N13O11	813.3518	NA	PeJP	NA	NA
+PJ041984	APMFYW 	C42H51N7O8S	813.352	NA	PeJP	NA	NA
+PJ041985	SSSSSTKM 	C30H55N9O15S	813.3539	NA	PeJP	NA	NA
+PJ041986	PDKEYY 	C38H51N7O13	813.3545	NA	PeJP	NA	NA
+PJ041987	SSCKKMM 	C31H59N9O10S3	813.3547	NA	PeJP	NA	NA
+7447	coeliac toxic peptide	GQQGYYPTSVQQSGQ	813.355	MH2+	Inhouse_peptide	NA	peptide
+PJ041988	NQEMHR 	C31H51N13O11S	813.3552	NA	PeJP	NA	NA
+PJ041989	ALMMYW 	C39H55N7O8S2	813.3554	NA	PeJP	NA	NA
+PJ041990	ASQHWW 	C39H47N11O9	813.3558	NA	PeJP	NA	NA
+PJ041991	GTQHWW 	C39H47N11O9	813.3559	NA	PeJP	NA	NA
+MJ095260	Aclacinomycin M 	C42H55NO15	813.35717	NA	MeJP	NA	NA
+MJ095261	Rhodirubin A; 3''-Deoxy 	C42H55NO15	813.35717	NA	MeJP	NA	NA
+PJ041992	GTTLEMY 	C35H55N7O13S	813.3579	NA	PeJP	NA	NA
+PJ041993	AALMMMF 	C36H59N7O8S3	813.3588	NA	PeJP	NA	NA
+PJ041994	VNQMHW 	C36H51N11O9S	813.3592	NA	PeJP	NA	NA
+PJ041995	SSSSQRY 	C32H51N11O14	813.3617	NA	PeJP	NA	NA
+PJ041996	GGGGGGPVQE 	C32H51N11O14	813.3618	NA	PeJP	NA	NA
+PJ041997	CNKMRY 	C33H55N11O9S2	813.3626	NA	PeJP	NA	NA
+PJ041998	QQQHHH 	C33H47N15O10	813.3631	NA	PeJP	NA	NA
+PJ041999	PPMHFW 	C41H51N9O7S	813.3633	NA	PeJP	NA	NA
+PJ042000	GSSSKYW 	C37H51N9O12	813.3657	NA	PeJP	NA	NA
+PJ042001	TLEEHW 	C37H51N9O12	813.3658	NA	PeJP	NA	NA
+PJ042002	CNEHRR 	C30H51N15O10S	813.3664	NA	PeJP	NA	NA
+PJ042003	GGCEHRR 	C30H51N15O10S	813.3665	NA	PeJP	NA	NA
+PJ042004	CCKKFW 	C38H55N9O7S2	813.3666	NA	PeJP	NA	NA
+PJ042005	PTHHHW 	C38H47N13O8	813.3671	NA	PeJP	NA	NA
+PJ042006	GSTQKMY 	C34H55N9O12S	813.3691	NA	PeJP	NA	NA
+PJ042007	SPVYYW 	C42H51N7O10	813.3698	NA	PeJP	NA	NA
+PJ042008	VMMMFR 	C35H59N9O7S3	813.37	NA	PeJP	NA	NA
+PJ042009	GQMHRW 	C35H51N13O8S	813.3705	NA	PeJP	NA	NA
+PJ042010	STNNNKH 	C31H51N13O13	813.3729	NA	PeJP	NA	NA
+PJ042011	GSTQEHR 	C31H51N13O13	813.373	NA	PeJP	NA	NA
+PJ042012	TTLMYW 	C39H55N7O10S	813.3731	NA	PeJP	NA	NA
+PJ042013	GALEMFF 	C39H55N7O10S	813.3732	NA	PeJP	NA	NA
+PJ042014	APCCKHR 	C32H55N13O8S2	813.3738	NA	PeJP	NA	NA
+PJ042015	NNHHHR 	C32H47N17O9	813.3743	NA	PeJP	NA	NA
+PJ042016	STTTLEY 	C35H55N7O15	813.3756	NA	PeJP	NA	NA
+PJ042017	LKEMMY 	C36H59N7O10S2	813.3765	NA	PeJP	NA	NA
+PJ042018	GSPPDRW 	C36H51N11O11	813.377	NA	PeJP	NA	NA
+PJ042019	ASSCKRY 	C33H55N11O11S	813.3803	NA	PeJP	NA	NA
+PJ042020	GSTCKRY 	C33H55N11O11S	813.3804	NA	PeJP	NA	NA
+PJ042021	PPTQWW 	C41H51N9O9	813.381	NA	PeJP	NA	NA
+PJ042022	GCHRRW 	C34H51N15O7S	813.3817	NA	PeJP	NA	NA
+PJ042023	GSSDHRR 	C30H51N15O12	813.3842	NA	PeJP	NA	NA
+PJ042024	SCKKYW 	C38H55N9O9S	813.3844	NA	PeJP	NA	NA
+PJ042025	LFYWW 	C46H51N7O7	813.385	NA	PeJP	NA	NA
+PJ042026	SSSDKKY 	C34H55N9O14	813.3869	NA	PeJP	NA	NA
+PJ042027	TLMMRY 	C35H59N9O9S2	813.3877	NA	PeJP	NA	NA
+PJ042028	GGKKMMY 	C35H59N9O9S2	813.3878	NA	PeJP	NA	NA
+PJ042029	STQHRW 	C35H51N13O10	813.3882	NA	PeJP	NA	NA
+PJ042030	ALMFFW 	C43H55N7O7S	813.3884	NA	PeJP	NA	NA
+PJ042031	VLQEYY 	C39H55N7O12	813.3909	NA	PeJP	NA	NA
+PJ042032	GPPCERR 	C32H55N13O10S	813.3916	NA	PeJP	NA	NA
+PJ042033	GTKHWW 	C40H51N11O8	813.3922	NA	PeJP	NA	NA
+PJ042034	GGLHHFF 	C40H51N11O8	813.3923	NA	PeJP	NA	NA
+PJ042035	SSTLLMY 	C36H59N7O12S	813.3943	NA	PeJP	NA	NA
+PJ042036	PPQMRW 	C37H55N11O8S	813.3956	NA	PeJP	NA	NA
+PJ042037	SSSSKRY 	C33H55N11O13	813.3981	NA	PeJP	NA	NA
+PJ042038	APCKKMH 	C34H59N11O8S2	813.399	NA	PeJP	NA	NA
+PJ042039	VEHHHR 	C34H51N15O9	813.3995	NA	PeJP	NA	NA
+PJ042040	GPPTKEW 	C38H55N9O11	813.4021	NA	PeJP	NA	NA
+PJ042041	AAAAPVEW 	C38H55N9O11	813.4022	NA	PeJP	NA	NA
+PJ042042	SQMHRR 	C31H55N15O9S	813.4028	NA	PeJP	NA	NA
+PJ042043	VVHHHW 	C39H51N13O7	813.4035	NA	PeJP	NA	NA
+PJ042044	GSTKKMY 	C35H59N9O11S	813.4055	NA	PeJP	NA	NA
+PJ042045	SVLFYW 	C43H55N7O9	813.4061	NA	PeJP	NA	NA
+PJ042046	GLLYYW 	C43H55N7O9	813.4062	NA	PeJP	NA	NA
+PJ042047	PPCRRW 	C36H55N13O7S	813.4069	NA	PeJP	NA	NA
+PJ042048	SSPPDRR 	C32H55N13O12	813.4093	NA	PeJP	NA	NA
+PJ042049	PQEERR 	C32H55N13O12	813.4094	NA	PeJP	NA	NA
+PJ042050	PLKMYY 	C40H59N7O9S	813.4095	NA	PeJP	NA	NA
+PJ042051	PVVLEEE 	C36H59N7O14	813.412	NA	PeJP	NA	NA
+PJ042052	PVQERW 	C37H55N11O10	813.4134	NA	PeJP	NA	NA
+PJ042053	SCHRRR 	C30H55N17O8S	813.4141	NA	PeJP	NA	NA
+MJ095262	Deltamycin A2 	C40H63NO16	813.414684	NA	MeJP	NA	NA
+PJ042054	GPPKEMR 	C34H59N11O10S	813.4167	NA	PeJP	NA	NA
+PJ042055	GGSPPLMR 	C34H59N11O10S	813.4168	NA	PeJP	NA	NA
+PJ042056	PPTKWW 	C42H55N9O8	813.4174	NA	PeJP	NA	NA
+PJ042057	PDDRRR 	C31H55N15O11	813.4206	NA	PeJP	NA	NA
+PJ042058	GPPVKMW 	C39H59N9O8S	813.4208	NA	PeJP	NA	NA
+8197	f(25-40) of bovine b-lactoglobulin 	AASDISLLDAQSAPLR	813.4224	MH2+	Inhouse_peptide	NA	peptide
+PJ042059	SSTTKKY 	C35H59N9O13	813.4232	NA	PeJP	NA	NA
+PJ042060	TTTLLEH 	C35H59N9O13	813.4233	NA	PeJP	NA	NA
+PJ042061	GLLLMMH 	C36H63N9O8S2	813.4241	NA	PeJP	NA	NA
+PJ042062	APERRW 	C36H55N13O9	813.4246	NA	PeJP	NA	NA
+PJ042063	VLKEYY 	C40H59N7O11	813.4273	NA	PeJP	NA	NA
+PJ042064	GPPTMRR 	C33H59N13O9S	813.428	NA	PeJP	NA	NA
+PJ042065	GPLRWW 	C41H55N11O7	813.4286	NA	PeJP	NA	NA
+PJ042066	PPKMRW 	C38H59N11O7S	813.432	NA	PeJP	NA	NA
+PJ042067	GPVKEER 	C34H59N11O12	813.4345	NA	PeJP	NA	NA
+C15705	Tubulysin E	C42H63N5O9S	813.4346	NA	KEGG	NA	NA
+MJ095263	Tubulysin B; 4'-Deoxy 	C42H63N5O9S	813.434649	NA	MeJP	NA	NA
+PJ042068	AQHFRR 	C35H55N15O8	813.4358	NA	PeJP	NA	NA
+PJ042069	GAAHFRR 	C35H55N15O8	813.4359	NA	PeJP	NA	NA
+PJ042070	AAPLKEW 	C39H59N9O10	813.4385	NA	PeJP	NA	NA
+PJ042071	SKMHRR 	C32H59N15O8S	813.4392	NA	PeJP	NA	NA
+PJ042072	STLLLMH 	C36H63N9O10S	813.4419	NA	PeJP	NA	NA
+PJ042073	PLKFFY 	C44H59N7O8	813.4425	NA	PeJP	NA	NA
+PJ042074	GALLFFF 	C44H59N7O8	813.4426	NA	PeJP	NA	NA
+PJ042075	PKEERR 	C33H59N13O11	813.4457	NA	PeJP	NA	NA
+PJ042076	GGGPDKKR 	C33H59N13O11	813.4458	NA	PeJP	NA	NA
+PJ042077	LLKMFY 	C41H63N7O8S	813.4459	NA	PeJP	NA	NA
+PJ042078	PTLLLEE 	C37H63N7O13	813.4484	NA	PeJP	NA	NA
+PJ042079	PPLLLMM 	C38H67N7O8S2	813.4493	NA	PeJP	NA	NA
+PJ042080	PVKERW 	C38H59N11O9	813.4498	NA	PeJP	NA	NA
+MJ095264	Oleandomycin; Tri-Ac 	C41H67NO15	813.45107	NA	MeJP	NA	NA
+MJ095265	Platenomycin B1 	C41H67NO15	813.45107	NA	MeJP	NA	NA
+MJ095266	Platenomycin B2 	C41H67NO15	813.45107	NA	MeJP	NA	NA
+C12753	Troleandomycin	C41H67NO15	813.4511	NA	KEGG	NA	NA
+C12754	Transferred to D01323	C41H67NO15	813.4511	NA	KEGG	NA	NA
+C14057	Leucomycin A4	C41H67NO15	813.4511	NA	KEGG	NA	NA
+PJ042081	SPPVKMR 	C35H63N11O9S	813.4531	NA	PeJP	NA	NA
+PJ042082	PVVKWW 	C43H59N9O7	813.4538	NA	PeJP	NA	NA
+PJ042083	PTERRR 	C32H59N15O10	813.457	NA	PeJP	NA	NA
+PJ042084	SPLLQKE 	C36H63N9O12	813.4596	NA	PeJP	NA	NA
+PJ042085	APLKKEE 	C36H63N9O12	813.4597	NA	PeJP	NA	NA
+PJ042086	SPLRRW 	C37H59N13O8	813.461	NA	PeJP	NA	NA
+PJ042087	PPVLLEF 	C41H63N7O10	813.4637	NA	PeJP	NA	NA
+PJ042088	AAPLMRR 	C34H63N13O8S	813.4644	NA	PeJP	NA	NA
+PJ042089	PVLLLEM 	C38H67N7O10S	813.4671	NA	PeJP	NA	NA
+PJ042090	AQQRRR 	C31H59N17O9	813.4682	NA	PeJP	NA	NA
+PJ042091	APTLKER 	C35H63N11O11	813.4709	NA	PeJP	NA	NA
+PJ042092	AKHFRR 	C36H59N15O7	813.4722	NA	PeJP	NA	NA
+PJ042093	GPTLLKW 	C40H63N9O9	813.4749	NA	PeJP	NA	NA
+PJ042094	PVMRRR 	C33H63N15O7S	813.4756	NA	PeJP	NA	NA
+PJ042095	PPTLKKM 	C37H67N9O9S	813.4783	NA	PeJP	NA	NA
+PJ042096	LLKFFF 	C45H63N7O7	813.4789	NA	PeJP	NA	NA
+PJ042097	GNRRRR 	C30H59N19O8	813.4794	NA	PeJP	NA	NA
+PJ042098	GGGRRRR 	C30H59N19O8	813.4795	NA	PeJP	NA	NA
+PJ042099	LLQERR 	C34H63N13O10	813.4821	NA	PeJP	NA	NA
+PJ042100	VVLLLEE 	C38H67N7O12	813.4848	NA	PeJP	NA	NA
+PJ042101	VLLQRW 	C39H63N11O8	813.4861	NA	PeJP	NA	NA
+PJ042102	GPLLKMR 	C36H67N11O8S	813.4895	NA	PeJP	NA	NA
+PJ042103	VVERRR 	C33H63N15O9	813.4934	NA	PeJP	NA	NA
+PJ042104	SPLLKKE 	C37H67N9O11	813.496	NA	PeJP	NA	NA
+PJ042105	GAALLLKE 	C37H67N9O11	813.4961	NA	PeJP	NA	NA
+PJ042106	ALLRRW 	C38H63N13O7	813.4974	NA	PeJP	NA	NA
+PJ042107	PPVLLLY 	C42H67N7O9	813.5001	NA	PeJP	NA	NA
+PJ042108	AQKRRR 	C32H63N17O8	813.5046	NA	PeJP	NA	NA
+PJ042109	GVLLKER 	C36H67N11O10	813.5073	NA	PeJP	NA	NA
+PJ042110	AALLLKW 	C41H67N9O8	813.5113	NA	PeJP	NA	NA
+PJ042111	PVVLKKM 	C38H71N9O8S	813.5147	NA	PeJP	NA	NA
+PJ042112	LLKERR 	C35H67N13O9	813.5185	NA	PeJP	NA	NA
+PJ042113	TLLLLLE 	C39H71N7O11	813.5212	NA	PeJP	NA	NA
+PJ042114	VLLKRW 	C40H67N11O7	813.5225	NA	PeJP	NA	NA
+PJ042115	TLLRRR 	C34H67N15O8	813.5297	NA	PeJP	NA	NA
+HMDB09342	PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09375	PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09406	PE(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09407	PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09439	PE(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09440	PE(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09471	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09598	PE(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09630	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09631	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09663	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09664	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09694	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+HMDB09695	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	C47H76NO8P	813.530884	NA	HMDB2010	NA	NA
+PJ042116	ALLLKKE 	C38H71N9O10	813.5324	NA	PeJP	NA	NA
+PJ042117	PVLLLLF 	C43H71N7O8	813.5364	NA	PeJP	NA	NA
+PJ042118	VLLLLLM 	C40H75N7O8S	813.5398	NA	PeJP	NA	NA
+PJ042119	AKKRRR 	C33H67N17O7	813.541	NA	PeJP	NA	NA
+PJ042120	ATLLLKR 	C37H71N11O9	813.5437	NA	PeJP	NA	NA
+EUR958	PC 34:4 [M-H+acetate]-	C42H76NO8P	813.551957	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR958	PC 34:4 [M-H+acetate]-	C42H76NO8P	813.551957	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR958	PC 34:4 [M-H+acetate]-	C42H76NO8P	813.551957	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR958	PC 34:4 [M-H+acetate]-	C42H76NO8P	813.551957	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB12382	PS(18:0/20:3(8Z,11Z,14Z))	C44H80NO10P	813.552002	NA	HMDB2010	NA	NA
+HMDB12422	PS(20:3(8Z,11Z,14Z)/18:0)	C44H80NO10P	813.552002	NA	HMDB2010	NA	NA
+PJ042121	AALKKKR 	C36H71N13O8	813.5549	NA	PeJP	NA	NA
+PJ042122	VKKKRR 	C35H71N15O7	813.5661	NA	PeJP	NA	NA
+PJ042123	SLLLLKK 	C39H75N9O9	813.5688	NA	PeJP	NA	NA
+PJ042124	GLLKKKK 	C38H75N11O8	813.58	NA	PeJP	NA	NA
+HMDB07927	PC(14:1(9Z)/24:1(15Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB07987	PC(16:0/22:2(13Z,16Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08019	PC(16:1(9Z)/22:1(13Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08045	PC(18:0/20:2(11Z,14Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08077	PC(18:1(11Z)/20:1(11Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08110	PC(18:1(9Z)/20:1(11Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08143	PC(18:2(9Z,12Z)/20:0)	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08270	PC(20:0/18:2(9Z,12Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08301	PC(20:1(11Z)/18:1(11Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08302	PC(20:1(11Z)/18:1(9Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08333	PC(20:2(11Z,14Z)/18:0)	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08562	PC(22:1(13Z)/16:1(9Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08593	PC(22:2(13Z,16Z)/16:0)	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+HMDB08789	PC(24:1(15Z)/14:1(9Z))	C46H88NO8P	813.624756	NA	HMDB2010	NA	NA
+EUR984	PC 38:2 monoisotopic mass 	C46H88NO8P	813.624757	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR984	PC 38:2 monoisotopic mass 	C46H88NO8P	813.624757	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR984	PC 38:2 monoisotopic mass 	C46H88NO8P	813.624757	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR984	PC 38:2 monoisotopic mass 	C46H88NO8P	813.624757	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09743	PE(24:0/P-18:1(11Z))	C47H92NO7P	813.661133	NA	HMDB2010	NA	NA
+HMDB09744	PE(24:0/P-18:1(9Z))	C47H92NO7P	813.661133	NA	HMDB2010	NA	NA
+HMDB09775	PE(24:1(15Z)/P-18:0)	C47H92NO7P	813.661133	NA	HMDB2010	NA	NA
+HMDB11396	PE(P-18:0/24:1(15Z))	C47H92NO7P	813.661133	NA	HMDB2010	NA	NA
+HMDB11428	PE(P-18:1(11Z)/24:0)	C47H92NO7P	813.661133	NA	HMDB2010	NA	NA
+HMDB11461	PE(P-18:1(9Z)/24:0)	C47H92NO7P	813.661133	NA	HMDB2010	NA	NA
+EUR1119	SM(d18:1/24:1) monoisotopic mass 	C47H94N2O6P	813.684951	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1119	SM(d18:1/24:1) monoisotopic mass 	C47H94N2O6P	813.684951	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1119	SM(d18:1/24:1) monoisotopic mass 	C47H94N2O6P	813.684951	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1119	SM(d18:1/24:1) monoisotopic mass 	C47H94N2O6P	813.684951	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095267	2-Amino-1,3-eicosanediol, N-Docosanoyl, 1-O-?-D-glucopyranoside 	C48H95NO8	813.705769	NA	MeJP	NA	NA
+MJ095268	Aerothionin 	C24H26Br4N4O8	813.848414	NA	MeJP	NA	NA
+6992	potential coeliac toxic peptide (extended motif)	QQQKQQQQPSSQVS	813.887	MH2+	Inhouse_peptide	NA	peptide
+3339	human beta-casein fr, 48-61	KIHPFAQTQSLVYP	813.9275	MH2+	Inhouse_peptide	NA	peptide
+3929	aurein 2,4	GLFDIVKKVVGTIAGL~	813.9929	MH2+	Inhouse_peptide	NA	peptide
+3933	aurein 2,6	GLFDIAKKVIGVIGSL~	813.99345	MH2+	Inhouse_peptide	NA	peptide
+C04900	Luteolin	C33H34O24	814.144	NA	KEGG	NA	NA
+C04901	alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-alpha-D-	C25H41N2O19R	814.144	NA	KEGG	NA	NA
+C04902	beta-D-Galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-	C22H37N2O16R	814.144	NA	KEGG	NA	NA
+C04903	3-beta-D-Glucuronosyl-3-beta-D-galactosyl-4-beta-D-galactosyl-O-	C27H42N2O23R2	814.144	NA	KEGG	NA	NA
+FL3FACGS0050	Luteolin 7-glucuronosyl-(1->2)-glucuronide-4'-glucuronide	C33H34O24	814.144	101849-03-0	knapsack	NA	NA
+FL3FACGS0051	Luteolin 7,3',4'-triglucuronide	C33H34O24	814.144	53965-10-9	knapsack	NA	NA
+MJ095269	3',4',5,7-Tetrahydroxyflavone; 3',4',7-Tri-O-?-D-glucuronopyranoside 	C33H34O24	814.144002	NA	MeJP	NA	NA
+MetaCyc04151	luteolin 7-O-[&beta;-D-glucuronosyl-(1,2)-&beta;-D-glucuronide]-4'-O-&beta;-D-glucuronide []	C33H34O24	814.144002	NA	metacyc	NA	NA
+PJ042125	GSCCCCCH 	C26H42N10O10S5	814.1689	NA	PeJP	NA	NA
+PJ042126	GPCCCCDD 	C27H42N8O13S4	814.1755	NA	PeJP	NA	NA
+PJ042127	CCNDDDM 	C27H42N8O15S3	814.1932	NA	PeJP	NA	NA
+PJ042128	SPPCCCCC 	C28H46N8O10S5	814.1941	NA	PeJP	NA	NA
+PJ042129	GSCCCNND 	C26H42N10O14S3	814.2044	NA	PeJP	NA	NA
+PJ042130	GGGGGSCCCD 	C26H42N10O14S3	814.2045	NA	PeJP	NA	NA
+MJ095270	Ulithiacyclamide F 	C35H42N8O7S4	814.205928	NA	MeJP	NA	NA
+MJ095271	Ulithiacyclamide G 	C35H42N8O7S4	814.205928	NA	MeJP	NA	NA
+PJ042131	GCCCDEW 	C31H42N8O12S3	814.2085	NA	PeJP	NA	NA
+C08443	Victorin C	C31H45Cl3N6O13	814.211	NA	KEGG	NA	NA
+PJ042132	GSSCCDDE 	C27H42N8O17S2	814.211	NA	PeJP	NA	NA
+MJ095272	Victorin B 	C31H45Cl3N6O13	814.211018	NA	MeJP	NA	NA
+MJ095273	Victorin C 	C31H45Cl3N6O13	814.211018	NA	MeJP	NA	NA
+PJ042133	GSPCCCDM 	C28H46N8O12S4	814.2118	NA	PeJP	NA	NA
+FL3FACGS0084	Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl-(1->2)-glucoside;Veronicoside A;7-[(O-6-O-Acetyl-beta-D-allopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C35H42O22	814.21677	173792-54-6	knapsack	NA	NA
+FL5FAAGS0136	Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C35H42O22	814.21677	382141-37-9	knapsack	NA	NA
+FL5FACGA0041	Faratroside	C35H42O22	814.21677	79378-28-2	knapsack	NA	NA
+MJ095274	Eustomoside; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac 	C35H42O22	814.216773	NA	MeJP	NA	NA
+MJ095275	Hyperin; 6''-O-[?-D-Glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl] 	C35H42O22	814.216773	NA	MeJP	NA	NA
+MJ095276	Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] 	C35H42O22	814.216773	NA	MeJP	NA	NA
+MJ095277	Vincetoxicoside B; 3-O-[Acetyl??[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside]] 	C35H42O22	814.216773	NA	MeJP	NA	NA
+MJ095278	Bizelesin 	C43H36Cl2N8O5	814.218571	NA	MeJP	NA	NA
+PJ042134	CCCNNQM 	C27H46N10O11S4	814.2231	NA	PeJP	NA	NA
+PJ042135	CCCDWW 	C35H42N8O9S3	814.2237	NA	PeJP	NA	NA
+PJ042136	SSCCDDW 	C31H42N8O14S2	814.2262	NA	PeJP	NA	NA
+PJ042137	PTCCCCW 	C32H46N8O9S4	814.2271	NA	PeJP	NA	NA
+PJ042138	SSSSCDDD 	C27H42N8O19S	814.2287	NA	PeJP	NA	NA
+PJ042139	SCNDDMM 	C28H46N8O14S3	814.2296	NA	PeJP	NA	NA
+PJ042140	PCCCQMM 	C29H50N8O9S5	814.2305	NA	PeJP	NA	NA
+FL3FCACS0025	Spinosin 6'''-(E)-sinapoyl ester;Swertisin 6'''-O-sinapoyl 2''-O-glucoside	C39H42O19	814.23202	77690-91-6	knapsack	NA	NA
+MJ095279	Swertisin; 2''-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C39H42O19	814.232029	NA	MeJP	NA	NA
+PJ042141	CCCCNNR 	C26H46N12O10S4	814.2343	NA	PeJP	NA	NA
+PJ042142	SCCCDER 	C27H46N10O13S3	814.2408	NA	PeJP	NA	NA
+PJ042143	PCCCCMR 	C28H50N10O8S5	814.2417	NA	PeJP	NA	NA
+PJ042144	GCNDDEY 	C31H42N8O16S	814.244	NA	PeJP	NA	NA
+PJ042145	GSCCEMW 	C32H46N8O11S3	814.2448	NA	PeJP	NA	NA
+PJ042146	GGPCCCEF 	C32H46N8O11S3	814.2449	NA	PeJP	NA	NA
+PJ042147	GSSSCDEM 	C28H46N8O16S2	814.2474	NA	PeJP	NA	NA
+PJ042148	GCNEMMM 	C29H50N8O11S4	814.2482	NA	PeJP	NA	NA
+PJ042149	SCCNDHH 	C29H42N12O12S2	814.2487	NA	PeJP	NA	NA
+PJ042150	PCNDDDH 	C30H42N10O15S	814.2552	NA	PeJP	NA	NA
+PJ042151	SSSSCCNQ 	C27H46N10O15S2	814.2586	NA	PeJP	NA	NA
+PJ042152	CNDDYW 	C35H42N8O13S	814.2592	NA	PeJP	NA	NA
+PJ042153	CCCNNKM 	C28H50N10O10S4	814.2594	NA	PeJP	NA	NA
+PJ042154	GCCDMMR 	C28H50N10O10S4	814.2595	NA	PeJP	NA	NA
+PJ042155	SCCMWW 	C36H46N8O8S3	814.2601	NA	PeJP	NA	NA
+PJ042156	SSNDDDY 	C31H42N8O18	814.2617	NA	PeJP	NA	NA
+PJ042157	SSSCDMW 	C32H46N8O13S2	814.2626	NA	PeJP	NA	NA
+PJ042158	CNMMMW 	C33H50N8O8S4	814.2635	NA	PeJP	NA	NA
+PJ042159	SSSSSDDM 	C28H46N8O18S	814.2651	NA	PeJP	NA	NA
+PJ042160	SSNDMMM 	C29H50N8O13S3	814.266	NA	PeJP	NA	NA
+PJ042161	TCCYYY 	C37H46N6O11S2	814.2666	NA	PeJP	NA	NA
+PJ042162	PCCCKMM 	C30H54N8O8S5	814.2669	NA	PeJP	NA	NA
+PJ042163	GCCQMHH 	C30H46N12O9S3	814.2673	NA	PeJP	NA	NA
+MJ095280	Febrinolide 	C40H46O18	814.268414	NA	MeJP	NA	NA
+PJ042164	DEEEMY 	C33H46N6O16S	814.2691	NA	PeJP	NA	NA
+PJ042165	GNDDEEH 	C30H42N10O17	814.273	NA	PeJP	NA	NA
+PJ042166	GCNNNMY 	C31H46N10O12S2	814.2738	NA	PeJP	NA	NA
+PJ042167	GGGGGCNMY 	C31H46N10O12S2	814.2739	NA	PeJP	NA	NA
+PJ042168	GSSSSSSCN 	C27H46N10O17S	814.2763	NA	PeJP	NA	NA
+PJ042169	SSCCEMR 	C28H50N10O12S3	814.2772	NA	PeJP	NA	NA
+PJ042170	GSPCCYW 	C36H46N8O10S2	814.2779	NA	PeJP	NA	NA
+PJ042171	GCCCHHR 	C29H46N14O8S3	814.2786	NA	PeJP	NA	NA
+MJ095281	Perdeacylemarginatine; 8-Epimer, 6,8,14-tri-Ac 	C39H46N2O17	814.279648	NA	MeJP	NA	NA
+PJ042172	GSNDEMY 	C32H46N8O15S	814.2804	NA	PeJP	NA	NA
+PJ042173	GSTCMMW 	C33H50N8O10S3	814.2812	NA	PeJP	NA	NA
+PJ042174	GSSSSEMM 	C29H50N8O15S2	814.2837	NA	PeJP	NA	NA
+PJ042175	SNNNDDH 	C29H42N12O16	814.2842	NA	PeJP	NA	NA
+PJ042176	GSQMMMM 	C30H54N8O10S4	814.2846	NA	PeJP	NA	NA
+PJ042177	SSCNMHH 	C30H46N12O11S2	814.2851	NA	PeJP	NA	NA
+PJ042178	EEEMMF 	C34H50N6O13S2	814.2878	NA	PeJP	NA	NA
+PJ042179	NDDEHW 	C34H42N10O14	814.2882	NA	PeJP	NA	NA
+C10473	Jionoside B1	C37H50O20	814.2895	NA	KEGG	NA	NA
+MJ095282	Cistanoside A; 3-Me ether 	C37H50O20	814.289544	NA	MeJP	NA	NA
+MJ095283	Premnafolioside 	C37H50O20	814.289544	NA	MeJP	NA	NA
+MJ095284	Purpureaside B; 4',4''-Di-Me ether 	C37H50O20	814.289544	NA	MeJP	NA	NA
+MJ095285	Purpureaside C; 3''',4''-Di-Me ether 	C37H50O20	814.289544	NA	MeJP	NA	NA
+PJ042180	GSCDDRY 	C31H46N10O14S	814.2916	NA	PeJP	NA	NA
+PJ042181	APCCCRY 	C32H50N10O9S3	814.2925	NA	PeJP	NA	NA
+PJ042182	ACCFWW 	C40H46N8O7S2	814.2931	NA	PeJP	NA	NA
+PJ042183	SSSSCCNK 	C28H50N10O14S2	814.295	NA	PeJP	NA	NA
+PJ042184	SNDMYW 	C36H46N8O12S	814.2956	NA	PeJP	NA	NA
+PJ042185	GSCMMMR 	C29H54N10O9S4	814.2958	NA	PeJP	NA	NA
+PJ042186	GACCCCKK 	C29H54N10O9S4	814.2959	NA	PeJP	NA	NA
+PJ042187	CMMHFF 	C37H50N8O7S3	814.2965	NA	PeJP	NA	NA
+PJ042188	SSSNEEY 	C32H46N8O17	814.2981	NA	PeJP	NA	NA
+PJ042189	SSSSMMW 	C33H50N8O12S2	814.299	NA	PeJP	NA	NA
+PJ042190	GCFYYY 	C41H46N6O10S	814.2996	NA	PeJP	NA	NA
+PJ042191	SSSSSTEM 	C29H50N8O17S	814.3015	NA	PeJP	NA	NA
+PJ042192	PDEEYY 	C37H46N6O15	814.3021	NA	PeJP	NA	NA
+PJ042193	DEEEFF 	C37H46N6O15	814.3022	NA	PeJP	NA	NA
+PJ042194	SSTQMMM 	C30H54N8O12S3	814.3023	NA	PeJP	NA	NA
+PJ042195	GGSTTMMM 	C30H54N8O12S3	814.3024	NA	PeJP	NA	NA
+PJ042196	GSSSTCHH 	C30H46N12O13S	814.3028	NA	PeJP	NA	NA
+PJ042197	GGGGGNEMH 	C30H46N12O13S	814.3029	NA	PeJP	NA	NA
+PJ042198	GDDHWW 	C38H42N10O11	814.3035	NA	PeJP	NA	NA
+PJ042199	PPCCCHR 	C31H50N12O8S3	814.3037	NA	PeJP	NA	NA
+MJ095286	Antibiotic BA 12100Z1; 4'''-O-Methylmalonyl, 12b-de-O-glycosyl 	C41H50O17	814.3048	NA	MeJP	NA	NA
+MJ095287	Terracinolide A; 7-Deacyl, 7-Ac 	C41H50O17	814.3048	NA	MeJP	NA	NA
+PJ042200	GSPCEHW 	C35H46N10O11S	814.3069	NA	PeJP	NA	NA
+PJ042201	GSSSSNNY 	C31H46N10O16	814.3093	NA	PeJP	NA	NA
+PJ042202	GGGSSSSNY 	C31H46N10O16	814.3094	NA	PeJP	NA	NA
+PJ042203	CNEMRY 	C32H50N10O11S2	814.3102	NA	PeJP	NA	NA
+PJ042204	GGGGAPPPCC 	C32H50N10O11S2	814.3103	NA	PeJP	NA	NA
+PJ042205	GTCYWW 	C40H46N8O9S	814.3109	NA	PeJP	NA	NA
+PJ042206	GSSSEYW 	C36H46N8O14	814.3134	NA	PeJP	NA	NA
+PJ042207	SSTCMMR 	C29H54N10O11S3	814.3136	NA	PeJP	NA	NA
+PJ042208	GCNNDHR 	C29H46N14O12S	814.3141	NA	PeJP	NA	NA
+PJ042209	GQMMYW 	C37H50N8O9S2	814.3142	NA	PeJP	NA	NA
+PJ042210	GGAMMYW 	C37H50N8O9S2	814.3143	NA	PeJP	NA	NA
+CJneg0656	Phenylacetylglutamine [(3M-2H+Na)]-	C39H46N6NaO12	814.315525	C18rt(min)=5.95 Neg identified a,b,c,d	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0656	Phenylacetylglutamine [(3M-2H+Na)]-	C39H46N6NaO12	814.315525	C18rt(min)=5.95 Neg identified a,b,c,d	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ042211	GSTQEMY 	C33H50N8O14S	814.3167	NA	PeJP	NA	NA
+PJ042212	GGGTTEMY 	C33H50N8O14S	814.3168	NA	PeJP	NA	NA
+PJ042213	GSYYYY 	C41H46N6O12	814.3174	NA	PeJP	NA	NA
+PJ042214	APCCKMY 	C34H54N8O9S3	814.3176	NA	PeJP	NA	NA
+PJ042215	NNNMHW 	C34H46N12O10S	814.3181	NA	PeJP	NA	NA
+PJ042216	GSSTTTMM 	C30H54N8O14S2	814.3201	NA	PeJP	NA	NA
+PJ042217	GSDDEHR 	C30H46N12O15	814.3206	NA	PeJP	NA	NA
+PJ042218	PEEMFY 	C38H50N6O12S	814.3208	NA	PeJP	NA	NA
+PJ042219	GSKMMMM 	C31H58N8O9S4	814.321	NA	PeJP	NA	NA
+PJ042220	CCDRRY 	C31H50N12O10S2	814.3215	NA	PeJP	NA	NA
+PJ042221	SPCHWW 	C39H46N10O8S	814.3221	NA	PeJP	NA	NA
+PJ042222	LEEMMY 	C35H54N6O12S2	814.3241	NA	PeJP	NA	NA
+PJ042223	SQEEHW 	C35H46N10O13	814.3246	NA	PeJP	NA	NA
+PJ042224	GCMRYW 	C36H50N10O8S2	814.3255	NA	PeJP	NA	NA
+C17513	trans-Crocetin (beta-D-glucosyl) (beta-D-gentibiosyl) ester	C38H54O19	814.3259	NA	KEGG	NA	NA
+HMDB02376	Tricrocin	C38H54O19	814.325928	NA	HMDB2010	NA	NA
+MJ095288	Crocetin, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ?-D-glucopyranosyl diester 	C38H54O19	814.325929	NA	MeJP	NA	NA
+HMDB02376	Tricrocin	C38H54O19	814.32593	http://www.hmdb.ca/metabolites/HMDB02376	HMDB	NA	NA
+HMDB02376	Tricrocin	C38H54O19	814.32593	HMDB02376	PFEM_hmdb_metabocards_official	NA	NA
+PJ042225	GSSDMRY 	C32H50N10O13S	814.328	NA	PeJP	NA	NA
+PJ042226	SSSYWW 	C40H46N8O11	814.3286	NA	PeJP	NA	NA
+PJ042227	CQMMFR 	C33H54N10O8S3	814.3289	NA	PeJP	NA	NA
+PJ042228	GPCQHHH 	C33H46N14O9S	814.3293	NA	PeJP	NA	NA
+PJ042229	STQMYW 	C37H50N8O11S	814.332	NA	PeJP	NA	NA
+PJ042230	CCCCKKK 	C30H58N10O8S4	814.3322	NA	PeJP	NA	NA
+PJ042231	SSSDKEY 	C33H50N8O16	814.3345	NA	PeJP	NA	NA
+PJ042232	NKEMMY 	C34H54N8O11S2	814.3354	NA	PeJP	NA	NA
+PJ042233	SDDHRW 	C34H46N12O12	814.3358	NA	PeJP	NA	NA
+PJ042234	GGGSSQHW 	C34H46N12O12	814.3359	NA	PeJP	NA	NA
+PJ042235	SSSTTTTM 	C30H54N8O16S	814.3379	NA	PeJP	NA	NA
+PJ042236	VEEEFY 	C38H50N6O14	814.3385	NA	PeJP	NA	NA
+PJ042237	SSTKMMM 	C31H58N8O11S3	814.3387	NA	PeJP	NA	NA
+PJ042238	NEEMHR 	C31H50N12O12S	814.3392	NA	PeJP	NA	NA
+PJ042239	GTEHWW 	C39H46N10O10	814.3399	NA	PeJP	NA	NA
+PJ042240	CCMFRR 	C32H54N12O7S3	814.3401	NA	PeJP	NA	NA
+PJ042241	STCRYW 	C36H50N10O10S	814.3432	NA	PeJP	NA	NA
+PJ042242	GGVEMHW 	C36H50N10O10S	814.3433	NA	PeJP	NA	NA
+PJ042243	NFYWW 	C44H46N8O8	814.3439	NA	PeJP	NA	NA
+PJ042244	SSSSERY 	C32H50N10O15	814.3457	NA	PeJP	NA	NA
+PJ042245	GGSSLEEH 	C32H50N10O15	814.3458	NA	PeJP	NA	NA
+PJ042246	SQMMRY 	C33H54N10O10S2	814.3466	NA	PeJP	NA	NA
+PJ042247	QQEHHH 	C33H46N14O11	814.3471	NA	PeJP	NA	NA
+PJ042248	GQMFFW 	C41H50N8O8S	814.3473	NA	PeJP	NA	NA
+PJ042249	SSSSVYW 	C37H50N8O13	814.3497	NA	PeJP	NA	NA
+PJ042250	GSTTTYW 	C37H50N8O13	814.3498	NA	PeJP	NA	NA
+PJ042251	ASCNQHR 	C30H50N14O11S	814.3504	NA	PeJP	NA	NA
+PJ042252	CDEHRR 	C30H50N14O11S	814.3505	NA	PeJP	NA	NA
+PJ042253	GKMMYW 	C38H54N8O8S2	814.3506	NA	PeJP	NA	NA
+3704	NA	YPFGFQG	814.351	ACE inhibitor	Inhouse_peptide	NA	peptide
+3727	NA	YPFGFCQG	814.351	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ042254	NNHHFF 	C38H46N12O9	814.3511	NA	PeJP	NA	NA
+PJ042255	GSTKEMY 	C34H54N8O13S	814.3531	NA	PeJP	NA	NA
+PJ042256	GGPPVEEM 	C34H54N8O13S	814.3532	NA	PeJP	NA	NA
+MJ095289	RA-X; 5''-De-O-Me 	C42H50N6O11	814.353756	NA	MeJP	NA	NA
+PJ042257	PPEFYY 	C42H50N6O11	814.3538	NA	PeJP	NA	NA
+PJ042258	QKMMMF 	C35H58N8O8S3	814.354	NA	PeJP	NA	NA
+PJ042259	GEMHRW 	C35H50N12O9S	814.3545	NA	PeJP	NA	NA
+PJ042260	THWWW 	C43H46N10O7	814.3551	NA	PeJP	NA	NA
+PJ042261	GSTEEHR 	C31H50N12O14	814.357	NA	PeJP	NA	NA
+PJ042262	PLEMYY 	C39H54N6O11S	814.3572	NA	PeJP	NA	NA
+PJ042263	SCMRRY 	C32H54N12O9S2	814.3578	NA	PeJP	NA	NA
+PJ042264	GSPMMHR 	C32H54N12O9S2	814.3579	NA	PeJP	NA	NA
+PJ042265	NDHHHR 	C32H46N16O10	814.3583	NA	PeJP	NA	NA
+PJ042266	GVMHWW 	C40H50N10O7S	814.3585	NA	PeJP	NA	NA
+PJ042267	SKEEHW 	C36H50N10O12	814.361	NA	PeJP	NA	NA
+PJ042268	LMMHHF 	C37H54N10O7S2	814.3619	NA	PeJP	NA	NA
+PJ042269	AQHHHW 	C37H46N14O8	814.3623	NA	PeJP	NA	NA
+PJ042270	GAAHHHW 	C37H46N14O8	814.3624	NA	PeJP	NA	NA
+PJ042271	GSTTMRY 	C33H54N10O12S	814.3644	NA	PeJP	NA	NA
+PJ042272	PPTEWW 	C41H50N8O10	814.365	NA	PeJP	NA	NA
+PJ042273	CKMMFR 	C34H58N10O7S3	814.3652	NA	PeJP	NA	NA
+PJ042274	GPCKHHH 	C34H50N14O8S	814.3657	NA	PeJP	NA	NA
+3599	NA	YPFGFW~	814.367	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ042275	SSSNQHR 	C30H50N14O13	814.3682	NA	PeJP	NA	NA
+PJ042276	STKMYW 	C38H54N8O10S	814.3684	NA	PeJP	NA	NA
+PJ042277	MHRWW 	C39H50N12O6S	814.3697	NA	PeJP	NA	NA
+PJ042278	SSTTKEY 	C34H54N8O15	814.3709	NA	PeJP	NA	NA
+PJ042279	DKKMMY 	C35H58N8O10S2	814.3718	NA	PeJP	NA	NA
+PJ042280	STEHRW 	C35H50N12O11	814.3722	NA	PeJP	NA	NA
+PJ042281	GGGGPERW 	C35H50N12O11	814.3723	NA	PeJP	NA	NA
+PJ042282	VLEEYY 	C39H54N6O13	814.3749	NA	PeJP	NA	NA
+PJ042283	DKEMHR 	C32H54N12O11S	814.3756	NA	PeJP	NA	NA
+PJ042284	SSLHWW 	C40H50N10O9	814.3762	NA	PeJP	NA	NA
+PJ042285	APQQWW 	C40H50N10O9	814.3763	NA	PeJP	NA	NA
+PJ042286	PPEMRW 	C37H54N10O9S	814.3796	NA	PeJP	NA	NA
+PJ042287	AHFFFF 	C45H50N8O7	814.3803	NA	PeJP	NA	NA
+PJ042288	SSTTTRY 	C33H54N10O14	814.3821	NA	PeJP	NA	NA
+PJ042289	GGGGPVDKE 	C33H54N10O14	814.3822	NA	PeJP	NA	NA
+PJ042290	SKMMRY 	C34H58N10O9S2	814.383	NA	PeJP	NA	NA
+PJ042291	NNQHFR 	C34H50N14O10	814.3835	NA	PeJP	NA	NA
+PJ042292	PPVMWW 	C42H54N8O7S	814.3837	NA	PeJP	NA	NA
+PJ042293	SSPPLEW 	C38H54N8O12	814.3861	NA	PeJP	NA	NA
+PJ042294	AAPLEEW 	C38H54N8O12	814.3862	NA	PeJP	NA	NA
+PJ042295	SEMHRR 	C31H54N14O10S	814.3868	NA	PeJP	NA	NA
+PJ042296	GGGTCKHR 	C31H54N14O10S	814.3869	NA	PeJP	NA	NA
+3705	NA	YPFGFKG	814.387	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ042297	GPNRWW 	C39H50N12O8	814.3875	NA	PeJP	NA	NA
+MJ095290	?-Rhodomycin III 	C42H58N2O14	814.388804	NA	MeJP	NA	NA
+PJ042298	SSSLKMY 	C35H58N8O12S	814.3895	NA	PeJP	NA	NA
+PJ042299	PPLYYY 	C43H54N6O10	814.3902	NA	PeJP	NA	NA
+PJ042300	KKMMMF 	C36H62N8O7S3	814.3904	NA	PeJP	NA	NA
+PJ042301	SVMHRW 	C36H54N12O8S	814.3909	NA	PeJP	NA	NA
+PJ042302	SSTQQKH 	C32H54N12O13	814.3933	NA	PeJP	NA	NA
+PJ042303	PEEERR 	C32H54N12O13	814.3934	NA	PeJP	NA	NA
+PJ042304	LLEMFY 	C40H58N6O10S	814.3935	NA	PeJP	NA	NA
+PJ042305	LQMMHR 	C33H58N12O8S2	814.3942	NA	PeJP	NA	NA
+PJ042306	TQHHHR 	C33H50N16O9	814.3947	NA	PeJP	NA	NA
+PJ042307	PVEERW 	C37H54N10O11	814.3974	NA	PeJP	NA	NA
+PJ042308	AKHHHW 	C38H50N14O7	814.3987	NA	PeJP	NA	NA
+PJ042309	PTTTKMH 	C34H58N10O11S	814.4007	NA	PeJP	NA	NA
+PJ042310	SPPVEMR 	C34H58N10O11S	814.4008	NA	PeJP	NA	NA
+MJ095291	Antibiotic WIN 66306; 4'-Me ether 	C42H54N8O9	814.401375	NA	MeJP	NA	NA
+MJ095292	Phakellistatin 3 	C42H54N8O9	814.401375	NA	MeJP	NA	NA
+PJ042311	PVVEWW 	C42H54N8O9	814.4014	NA	PeJP	NA	NA
+PJ042312	PCHFRR 	C35H54N14O7S	814.4021	NA	PeJP	NA	NA
+PJ042313	GSPNERR 	C31H54N14O12	814.4046	NA	PeJP	NA	NA
+PJ042314	APPTLMW 	C39H58N8O9S	814.4048	NA	PeJP	NA	NA
+PJ042315	CLMHRR 	C32H58N14O7S2	814.4055	NA	PeJP	NA	NA
+PJ042316	TTTTTKY 	C35H58N8O14	814.4073	NA	PeJP	NA	NA
+PJ042317	PPVLQMM 	C36H62N8O9S2	814.4082	NA	PeJP	NA	NA
+PJ042318	PNDKRW 	C36H54N12O10	814.4086	NA	PeJP	NA	NA
+PJ042319	GTTLMHR 	C33H58N12O10S	814.412	NA	PeJP	NA	NA
+PJ042320	APQKWW 	C41H54N10O8	814.4126	NA	PeJP	NA	NA
+PJ042321	GAAPKWW 	C41H54N10O8	814.4127	NA	PeJP	NA	NA
+MJ095293	8,14-Epoxy-3,11,12-trihydroxypregnan-20-one, 11-Benzoyl, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C44H62O14	814.413956	NA	MeJP	NA	NA
+PJ042322	NNQQRR 	C30H54N16O11	814.4158	NA	PeJP	NA	NA
+PJ042323	GGGGGAQRR 	C30H54N16O11	814.4159	NA	PeJP	NA	NA
+PJ042324	TLKMHW 	C38H58N10O8S	814.416	NA	PeJP	NA	NA
+PJ042325	APTLEER 	C34H58N10O13	814.4185	NA	PeJP	NA	NA
+PJ042326	APPLMMR 	C35H62N10O8S2	814.4194	NA	PeJP	NA	NA
+PJ042327	SPNRRW 	C35H54N14O9	814.4199	NA	PeJP	NA	NA
+PJ042328	GPTLLEW 	C39H58N8O11	814.4225	NA	PeJP	NA	NA
+PJ042329	GGPPVLEF 	C39H58N8O11	814.4226	NA	PeJP	NA	NA
+PJ042330	PQQMRR 	C32H58N14O9S	814.4232	NA	PeJP	NA	NA
+PJ042331	GLHFRW 	C40H54N12O7	814.4239	NA	PeJP	NA	NA
+PJ042332	PPTLKEM 	C36H62N8O11S	814.4259	NA	PeJP	NA	NA
+PJ042333	PLLFYY 	C44H58N6O9	814.4266	NA	PeJP	NA	NA
+PJ042334	PKMHFR 	C37H58N12O7S	814.4273	NA	PeJP	NA	NA
+PJ042335	STTTLHR 	C33H58N12O12	814.4297	NA	PeJP	NA	NA
+PJ042336	GGAPTKER 	C33H58N12O12	814.4298	NA	PeJP	NA	NA
+PJ042337	LLLMYY 	C41H62N6O9S	814.4299	NA	PeJP	NA	NA
+PJ042338	LKMMHR 	C34H62N12O7S2	814.4306	NA	PeJP	NA	NA
+PJ042339	TKHHHR 	C34H54N16O8	814.4311	NA	PeJP	NA	NA
+PJ042340	PQKKEW 	C38H58N10O10	814.4338	NA	PeJP	NA	NA
+PJ042341	PCQRRR 	C31H58N16O8S	814.4345	NA	PeJP	NA	NA
+MJ095294	2,3,19,23,24-Pentahydroxy-12-ursen-28-oic acid, [?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C41H66O16	814.435086	NA	MeJP	NA	NA
+MJ095295	20,24-Epoxy-3,16,25-trihydroxycholestan-6-one, 16-Ac, 3-O-?-D-Sophorosyl 	C41H66O16	814.435086	NA	MeJP	NA	NA
+PJ042342	APVLEMR 	C35H62N10O10S	814.4371	NA	PeJP	NA	NA
+PJ042343	GPLLEMR 	C35H62N10O10S	814.4372	NA	PeJP	NA	NA
+PJ042344	PTLLWW 	C43H58N8O8	814.4378	NA	PeJP	NA	NA
+PJ042345	VQQERR 	C32H58N14O11	814.441	NA	PeJP	NA	NA
+PJ042346	GPVLLMW 	C40H62N8O8S	814.4412	NA	PeJP	NA	NA
+PJ042347	SPLLKEE 	C36H62N8O13	814.4437	NA	PeJP	NA	NA
+PJ042348	PPVLKMM 	C37H66N8O8S2	814.4445	NA	PeJP	NA	NA
+PJ042349	PTQKRW 	C37H58N12O9	814.445	NA	PeJP	NA	NA
+PJ042350	GPVQKMR 	C34H62N12O9S	814.4484	NA	PeJP	NA	NA
+PJ042351	APKKWW 	C42H58N10O7	814.449	NA	PeJP	NA	NA
+PJ042352	AQERRR 	C31H58N16O10	814.4522	NA	PeJP	NA	NA
+PJ042353	PLLMRW 	C39H62N10O7S	814.4524	NA	PeJP	NA	NA
+PJ042354	GVLLEER 	C35H62N10O12	814.4549	NA	PeJP	NA	NA
+PJ042355	GLQRRW 	C36H58N14O8	814.4562	NA	PeJP	NA	NA
+PJ042356	GGALRRW 	C36H58N14O8	814.4563	NA	PeJP	NA	NA
+PJ042357	AALLLEW 	C40H62N8O10	814.4589	NA	PeJP	NA	NA
+PJ042358	PQKMRR 	C33H62N14O8S	814.4596	NA	PeJP	NA	NA
+PJ042359	PVVLKEM 	C37H66N8O10S	814.4623	NA	PeJP	NA	NA
+PJ042360	LLLFFY 	C45H62N6O8	814.4629	NA	PeJP	NA	NA
+PJ042361	GDRRRR 	C30H58N18O9	814.4635	NA	PeJP	NA	NA
+PJ042362	LLEERR 	C34H62N12O11	814.4661	NA	PeJP	NA	NA
+PJ042363	GGGVLKER 	C34H62N12O11	814.4662	NA	PeJP	NA	NA
+PJ042364	AARRRW 	C35H58N16O7	814.4675	NA	PeJP	NA	NA
+PJ042365	VLLERW 	C39H62N10O9	814.4702	NA	PeJP	NA	NA
+PJ042366	PCKRRR 	C32H62N16O7S	814.4709	NA	PeJP	NA	NA
+MJ095296	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3,25-Di-O-?-D-glucopyranoside 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095297	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095298	Cycloart-23-ene-3,16,22,25,29-pentol, 3-O-?-D-Galactopyranoside, 29-O-?-D-glucopyranoside 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095299	Cycloart-24-ene-3,16,22,26,28-pentol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095300	Cycloart-25-ene-3,16,22,24,28-pentol, 3-O-?-D-Galactopyranoside, 28-O-?-D-glucopyranoside 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095301	Furostane-3,17,22,26-tetrol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095302	Pregn-5-ene-3,11,12,14,20-pentol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095303	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095304	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095305	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+MJ095306	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H70O15	814.471471	NA	MeJP	NA	NA
+PJ042367	SPVLLMR 	C36H66N10O9S	814.4735	NA	PeJP	NA	NA
+PJ042368	VVLLWW 	C44H62N8O7	814.4742	NA	PeJP	NA	NA
+PJ042369	VQKERR 	C33H62N14O10	814.4774	NA	PeJP	NA	NA
+PJ042370	SLLLLQE 	C37H66N8O12	814.48	NA	PeJP	NA	NA
+PJ042371	ALLLKEE 	C37H66N8O12	814.4801	NA	PeJP	NA	NA
+PJ042372	PTKKRW 	C38H62N12O8	814.4814	NA	PeJP	NA	NA
+PJ042373	GPVKKMR 	C35H66N12O8S	814.4848	NA	PeJP	NA	NA
+5460	aurein 2,4	GLFDIVKKVVGTIAGL	814.48495	MH2+	Inhouse_peptide	NA	peptide
+7046	aurein 2,6	GLFDIAKKVIGVIGSL	814.48545	MH2+	Inhouse_peptide	NA	peptide
+PJ042374	AKERRR 	C32H62N16O9	814.4886	NA	PeJP	NA	NA
+PJ042375	ATLLLER 	C36H66N10O11	814.4913	NA	PeJP	NA	NA
+PJ042376	GLKRRW 	C37H62N14O7	814.4926	NA	PeJP	NA	NA
+PJ042377	GTLLLLW 	C41H66N8O9	814.4953	NA	PeJP	NA	NA
+PJ042378	PKKMRR 	C34H66N14O7S	814.496	NA	PeJP	NA	NA
+PJ042379	PTLLLKM 	C38H70N8O9S	814.4987	NA	PeJP	NA	NA
+PJ042380	ATRRRR 	C31H62N18O8	814.4998	NA	PeJP	NA	NA
+PJ042381	AALKKER 	C35H66N12O10	814.5025	NA	PeJP	NA	NA
+PJ042382	LLQKKW 	C40H66N10O8	814.5065	NA	PeJP	NA	NA
+MJ095307	Lonomycin C 	C43H74O14	814.507857	NA	MeJP	NA	NA
+PJ042383	GLLLLMR 	C37H70N10O8S	814.5099	NA	PeJP	NA	NA
+PJ042384	VKKERR 	C34H66N14O9	814.5138	NA	PeJP	NA	NA
+PJ042385	SLLLLKE 	C38H70N8O11	814.5164	NA	PeJP	NA	NA
+PJ042386	VVKKRW 	C39H66N12O7	814.5178	NA	PeJP	NA	NA
+PJ042387	SLKRRR 	C33H66N16O8	814.525	NA	PeJP	NA	NA
+PJ042388	STLLLLR 	C37H70N10O10	814.5277	NA	PeJP	NA	NA
+PJ042389	PVVLLKF 	C42H70N8O8	814.5317	NA	PeJP	NA	NA
+PJ042390	VVLLLKM 	C39H74N8O8S	814.5351	NA	PeJP	NA	NA
+PJ042391	GTLLKKR 	C36H70N12O9	814.5389	NA	PeJP	NA	NA
+PJ042392	LLKKKW 	C41H70N10O7	814.5429	NA	PeJP	NA	NA
+PJ042393	QKKKKR 	C35H70N14O8	814.5501	NA	PeJP	NA	NA
+PJ042394	SVLLKKK 	C38H74N10O9	814.5641	NA	PeJP	NA	NA
+PJ042395	GVKKKKK 	C37H74N12O8	814.5753	NA	PeJP	NA	NA
+PJ042396	KKKKKR 	C36H74N14O7	814.5865	NA	PeJP	NA	NA
+MJ095308	Stigmast-5-en-3-ol, O-(6-O-Hexadecanoyl-?-D-glucopyranoside) 	C51H90O7	814.668655	NA	MeJP	NA	NA
+HMDB12095	SM(d18:0/24:1(15Z))	C47H95N2O6P	814.692749	NA	HMDB2010	NA	NA
+MJ095309	Archaeol; 1-O ?-D-Glucopyranoside 	C49H98O8	814.72617	NA	MeJP	NA	NA
+MJ095310	Archaeol; 1-O-?-D-Galactopyranoside 	C49H98O8	814.72617	NA	MeJP	NA	NA
+7724	NA	NKLASVYALTPSLRV~	814.97095	MH2+	Inhouse_peptide	NA	peptide
+PJ042397	CCDDDDM 	C27H41N7O16S3	815.1772	NA	PeJP	NA	NA
+PJ042398	GSCCCNDD 	C26H41N9O15S3	815.1885	NA	PeJP	NA	NA
+PJ042399	GPCCCCCQ 	C27H45N9O10S5	815.1893	NA	PeJP	NA	NA
+PJ042400	CCCNNEM 	C27H45N9O12S4	815.2071	NA	PeJP	NA	NA
+PJ042401	SCDDDMM 	C28H45N7O15S3	815.2136	NA	PeJP	NA	NA
+PJ042402	PCCCEMM 	C29H49N7O10S5	815.2145	NA	PeJP	NA	NA
+PJ042403	CCCCNDR 	C26H45N11O11S4	815.2183	NA	PeJP	NA	NA
+PJ042404	GCCCNMW 	C31H45N9O9S4	815.2223	NA	PeJP	NA	NA
+PJ042405	GGGCCCMW 	C31H45N9O9S4	815.2224	NA	PeJP	NA	NA
+PJ042406	GSSCCNDM 	C27H45N9O14S3	815.2248	NA	PeJP	NA	NA
+PJ042407	GGGSSCCDM 	C27H45N9O14S3	815.2249	NA	PeJP	NA	NA
+PJ042408	GPCCCCCK 	C28H49N9O9S5	815.2257	NA	PeJP	NA	NA
+MJ095311	Promothiocin A 	C36H37N11O8S2	815.226798	NA	MeJP	NA	NA
+PJ042409	GCDDDEY 	C31H41N7O17S	815.228	NA	PeJP	NA	NA
+PJ042410	PCCCDEF 	C32H45N7O12S3	815.2289	NA	PeJP	NA	NA
+PJ042411	GCDEMMM 	C29H49N7O12S4	815.2322	NA	PeJP	NA	NA
+PJ042412	SCCDDHH 	C29H41N11O13S2	815.2327	NA	PeJP	NA	NA
+PJ042413	PCDDDDH 	C30H41N9O16S	815.2392	NA	PeJP	NA	NA
+PJ042414	SSCCCQW 	C31H45N9O11S3	815.2401	NA	PeJP	NA	NA
+PJ042415	SSSSCCNE 	C27H45N9O16S2	815.2426	NA	PeJP	NA	NA
+PJ042416	CDDDYW 	C35H41N7O14S	815.2433	NA	PeJP	NA	NA
+PJ042417	SCCNQMM 	C28H49N9O11S4	815.2435	NA	PeJP	NA	NA
+PJ042418	SSDDDDY 	C31H41N7O19	815.2457	NA	PeJP	NA	NA
+PJ042419	SPCCDEY 	C32H45N7O14S2	815.2466	NA	PeJP	NA	NA
+PJ042420	CDMMMW 	C33H49N7O9S4	815.2475	NA	PeJP	NA	NA
+PJ042421	SSDDMMM 	C29H49N7O14S3	815.25	NA	PeJP	NA	NA
+PJ042422	PTCCMMM 	C30H53N7O9S5	815.2509	NA	PeJP	NA	NA
+PJ042423	GCCEMHH 	C30H45N11O10S3	815.2513	NA	PeJP	NA	NA
+PJ042424	SCCCNMR 	C27H49N11O10S4	815.2547	NA	PeJP	NA	NA
+PJ042425	GCCCHFF 	C35H45N9O8S3	815.2554	NA	PeJP	NA	NA
+PJ042426	GDDDEEH 	C30H41N9O18	815.257	NA	PeJP	NA	NA
+PJ042427	GCCNQEY 	C31H45N9O13S2	815.2578	NA	PeJP	NA	NA
+PJ042428	GSSSSCCW 	C31H45N9O13S2	815.2579	NA	PeJP	NA	NA
+PJ042429	ACCCCKW 	C32H49N9O8S4	815.2587	NA	PeJP	NA	NA
+PJ042430	GSSSSSSCD 	C27H45N9O18S	815.2604	NA	PeJP	NA	NA
+PJ042431	GSSSCNMM 	C28H49N9O13S3	815.2612	NA	PeJP	NA	NA
+PJ042432	CDDMFW 	C36H45N7O11S2	815.2619	NA	PeJP	NA	NA
+PJ042433	GSDDEMY 	C32H45N7O16S	815.2644	NA	PeJP	NA	NA
+PJ042434	APCCEMY 	C33H49N7O11S3	815.2652	NA	PeJP	NA	NA
+PJ042435	GPCDMMY 	C33H49N7O11S3	815.2653	NA	PeJP	NA	NA
+PJ042436	CCMHHW 	C34H45N11O7S3	815.2666	NA	PeJP	NA	NA
+PJ042437	SNNDDDH 	C29H41N11O17	815.2682	NA	PeJP	NA	NA
+PJ042438	GSEMMMM 	C30H53N7O11S4	815.2686	NA	PeJP	NA	NA
+PJ042439	SSCDMHH 	C30H45N11O12S2	815.2691	NA	PeJP	NA	NA
+PJ042440	DDDEHW 	C34H41N9O15	815.2723	NA	PeJP	NA	NA
+PJ042441	GSSTCCCR 	C27H49N11O12S3	815.2725	NA	PeJP	NA	NA
+PJ042442	CCNQYW 	C35H45N9O10S2	815.2731	NA	PeJP	NA	NA
+PJ042443	SSCNNEY 	C31H45N9O15S	815.2756	NA	PeJP	NA	NA
+PJ042444	SSCCCKW 	C32H49N9O10S3	815.2765	NA	PeJP	NA	NA
+PJ042445	SSSSSCQM 	C28H49N9O15S2	815.279	NA	PeJP	NA	NA
+PJ042446	SDDMYW 	C36H45N7O13S	815.2796	NA	PeJP	NA	NA
+PJ042447	SCCNKMM 	C29H53N9O10S4	815.2798	NA	PeJP	NA	NA
+PJ042448	GGSCCKMM 	C29H53N9O10S4	815.2799	NA	PeJP	NA	NA
+MJ095312	Haligramide A; 21,36,S,S-Dioxide 	C37H49N7O8S3	815.280473	NA	MeJP	NA	NA
+PJ042449	PPCCCFF 	C37H49N7O8S3	815.2805	NA	PeJP	NA	NA
+PJ042450	SSSDEEY 	C32H45N7O18	815.2821	NA	PeJP	NA	NA
+PJ042451	NEEMMY 	C33H49N7O13S2	815.283	NA	PeJP	NA	NA
+PJ042452	SMMMMW 	C34H53N7O8S4	815.2839	NA	PeJP	NA	NA
+PJ042453	GPCCNHW 	C34H45N11O9S2	815.2843	NA	PeJP	NA	NA
+PJ042454	GGGPCCHW 	C34H45N11O9S2	815.2844	NA	PeJP	NA	NA
+PJ042455	SSTEMMM 	C30H53N7O13S3	815.2864	NA	PeJP	NA	NA
+PJ042456	GCDQQEH 	C30H45N11O14S	815.2868	NA	PeJP	NA	NA
+PJ042457	GNNDEMH 	C30H45N11O14S	815.2869	NA	PeJP	NA	NA
+PJ042458	VVCCMMM 	C31H57N7O8S5	815.2872	NA	PeJP	NA	NA
+PJ042459	AAMMMMM 	C31H57N7O8S5	815.2873	NA	PeJP	NA	NA
+PJ042460	GCCCQFR 	C31H49N11O9S3	815.2877	NA	PeJP	NA	NA
+PJ042461	SSSSSCCR 	C27H49N11O14S2	815.2902	NA	PeJP	NA	NA
+PJ042462	GSSCNYW 	C35H45N9O12S	815.2909	NA	PeJP	NA	NA
+PJ042463	TCCCCKR 	C28H53N11O9S4	815.2911	NA	PeJP	NA	NA
+PJ042464	GSSSSNDY 	C31H45N9O17	815.2934	NA	PeJP	NA	NA
+PJ042465	CDEMRY 	C32H49N9O12S2	815.2942	NA	PeJP	NA	NA
+PJ042466	GGGGGSMMY 	C32H49N9O12S2	815.2943	NA	PeJP	NA	NA
+PJ042467	GSSSSSSSM 	C28H49N9O17S	815.2967	NA	PeJP	NA	NA
+PJ042468	GSPDDYY 	C36H45N7O15	815.2974	NA	PeJP	NA	NA
+8223	antioxidative peptide	HVCYMF	815.2974	NA  ;SYN:(2S)-2-Aminopentanedioate; (2S)-2-Aminopentanedioic acid; (S)-(+)-Glutamate; (S)-(+)-Glutamic acid; (S)-2-Aminopentanedioate; (S)-2-Aminopentanedioic acid; (S)-Glutamate; (S)-Glutamic acid; 1-Aminopropane-1,3-dicarboxylate; 1-Aminopropane-1,3-dicarboxylic acid; 1-amino-propane-1,3-dicarboxylate; 1-amino-propane-1,3-dicarboxylic acid; 2-Aminoglutarate; 2-Aminoglutaric acid; 2-Aminopentanedioate; 2-Aminopentanedioic acid; Aciglut; E; Glusate; Glutacid;  Glutamicol; Glutamidex; Glutaminate; Glutaminic acid; Glutaminol; Glutaton; L-(+)-Glutamate; L-(+)-Glutamic acid; L-Glutamate; L-Glutaminate; L-Glutaminic acid; L-a-Aminoglutarate; L-a-Aminoglutaric acid; L-glu; a-Aminoglutarate; a-Aminoglutaric acid; a-Glutamate; a-Glutamic acid; aminoglutarate; aminoglutaric acid; glt; glu; glut; L-alpha-Aminoglutarate; L-alpha-Aminoglutaric acid; alpha-Aminoglutarate; alpha-Aminoglutaric acid; alpha-Glutamate; alpha-Glutamic acidH2Blood; Cellular Cytoplasm; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ042469	GSSTCCKM 	C29H53N9O12S3	815.2976	NA	PeJP	NA	NA
+PJ042470	GCNDDHR 	C29H45N13O13S	815.2981	NA	PeJP	NA	NA
+PJ042471	GEMMYW 	C37H49N7O10S2	815.2983	NA	PeJP	NA	NA
+PJ042472	GSTEEMY 	C33H49N7O15S	815.3008	NA	PeJP	NA	NA
+PJ042473	GSPMMMY 	C34H53N7O10S3	815.3016	NA	PeJP	NA	NA
+PJ042474	NNDMHW 	C34H45N11O11S	815.3021	NA	PeJP	NA	NA
+PJ042475	SSNNEEH 	C30H45N11O16	815.3046	NA	PeJP	NA	NA
+PJ042476	ATTMMMM 	C31H57N7O10S4	815.305	NA	PeJP	NA	NA
+PJ042477	GSCCQRY 	C31H49N11O11S2	815.3055	NA	PeJP	NA	NA
+PJ042478	SEEEHW 	C35H45N9O14	815.3086	NA	PeJP	NA	NA
+PJ042479	CCNKYW 	C36H49N9O9S2	815.3095	NA	PeJP	NA	NA
+PJ042480	SSSNQMY 	C32H49N9O14S	815.312	NA	PeJP	NA	NA
+PJ042481	GDEFYW 	C40H45N7O12	815.3127	NA	PeJP	NA	NA
+PJ042482	CEMMFR 	C33H53N9O9S3	815.3129	NA	PeJP	NA	NA
+PJ042483	GPCEHHH 	C33H45N13O10S	815.3133	NA	PeJP	NA	NA
+PJ042484	MMYWW 	C41H49N7O7S2	815.3135	NA	PeJP	NA	NA
+PJ042485	SSSSSSSST 	C28H49N9O19	815.3145	NA	PeJP	NA	NA
+PJ042486	SSSSSCKM 	C29H53N9O14S2	815.3154	NA	PeJP	NA	NA
+PJ042487	GSSSNNNH 	C29H45N13O15	815.3158	NA	PeJP	NA	NA
+PJ042488	GGGGGSSSNH 	C29H45N13O15	815.3159	NA	PeJP	NA	NA
+PJ042489	STEMYW 	C37H49N7O12S	815.316	NA	PeJP	NA	NA
+PJ042490	TCCCKKM 	C30H57N9O9S4	815.3162	NA	PeJP	NA	NA
+PJ042491	SPCCNHR 	C30H49N13O10S2	815.3167	NA	PeJP	NA	NA
+PJ042492	AMMMFW 	C38H53N7O7S3	815.3169	NA	PeJP	NA	NA
+PJ042493	GCQHWW 	C38H45N11O8S	815.3174	NA	PeJP	NA	NA
+PJ042494	SSTTEEY 	C33H49N7O17	815.3185	NA	PeJP	NA	NA
+PJ042495	DKEMMY 	C34H53N7O12S2	815.3194	NA	PeJP	NA	NA
+PJ042496	GSSNEHW 	C34H45N11O13	815.3199	NA	PeJP	NA	NA
+PJ042497	NMMHHF 	C35H49N11O8S2	815.3207	NA	PeJP	NA	NA
+PJ042498	TTTTMMM 	C31H57N7O12S3	815.3227	NA	PeJP	NA	NA
+PJ042499	SSSCNRY 	C31H49N11O13S	815.3232	NA	PeJP	NA	NA
+PJ042500	GGGGATEMH 	C31H49N11O13S	815.3233	NA	PeJP	NA	NA
+MJ095313	Pacidamycin 4N 	C39H45N9O11	815.323853	NA	MeJP	NA	NA
+PJ042501	GNNYYW 	C39H45N9O11	815.3239	NA	PeJP	NA	NA
+PJ042502	GCCCKFR 	C32H53N11O8S3	815.3241	NA	PeJP	NA	NA
+PJ042503	NNQMFY 	C36H49N9O11S	815.3272	NA	PeJP	NA	NA
+PJ042504	VDEMHW 	C36H49N9O11S	815.3273	NA	PeJP	NA	NA
+PJ042505	DFYWW 	C44H45N7O9	815.3279	NA	PeJP	NA	NA
+PJ042506	PCHHHW 	C37H45N13O7S	815.3286	NA	PeJP	NA	NA
+PJ042507	GSSSSTQY 	C32H49N9O16	815.3297	NA	PeJP	NA	NA
+PJ042508	GGGSSSTTY 	C32H49N9O16	815.3298	NA	PeJP	NA	NA
+PJ042509	SEMMRY 	C33H53N9O11S2	815.3306	NA	PeJP	NA	NA
+PJ042510	GNNNNHF 	C33H45N13O12	815.3311	NA	PeJP	NA	NA
+PJ042511	GPMYYW 	C41H49N7O9S	815.3313	NA	PeJP	NA	NA
+PJ042512	VNEEYY 	C37H49N7O14	815.3338	NA	PeJP	NA	NA
+PJ042513	GSNDMHR 	C30H49N13O12S	815.3345	NA	PeJP	NA	NA
+PJ042514	SVMMYW 	C38H53N7O9S2	815.3346	NA	PeJP	NA	NA
+PJ042515	GAPMMFY 	C38H53N7O9S2	815.3347	NA	PeJP	NA	NA
+3725	NA	YPFGFEG	815.335	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ042516	SSNHWW 	C38H45N11O10	815.3351	NA	PeJP	NA	NA
+PJ042517	SSSLEMY 	C34H53N7O14S	815.3371	NA	PeJP	NA	NA
+PJ042518	PPVDEEM 	C34H53N7O14S	815.3372	NA	PeJP	NA	NA
+PJ042519	LQMMMY 	C35H57N7O9S3	815.338	NA	PeJP	NA	NA
+PJ042520	SQQMHW 	C35H49N11O10S	815.3385	NA	PeJP	NA	NA
+PJ042521	GPNDEER 	C31H49N11O15	815.341	NA	PeJP	NA	NA
+PJ042522	GSCCKRY 	C32H53N11O10S2	815.3419	NA	PeJP	NA	NA
+PJ042523	DDHHHR 	C32H45N15O11	815.3423	NA	PeJP	NA	NA
+PJ042524	GGGGGTHHH 	C32H45N15O11	815.3424	NA	PeJP	NA	NA
+PJ042525	PPCQWW 	C40H49N9O8S	815.3425	NA	PeJP	NA	NA
+PJ042526	PQQEEW 	C36H49N9O13	815.345	NA	PeJP	NA	NA
+PJ042527	PCMFRY 	C37H53N9O8S2	815.3459	NA	PeJP	NA	NA
+PJ042528	AEHHHW 	C37H45N13O9	815.3464	NA	PeJP	NA	NA
+PJ042529	MFFWW 	C45H49N7O6S	815.3465	NA	PeJP	NA	NA
+PJ042530	SSSNKMY 	C33H53N9O13S	815.3484	NA	PeJP	NA	NA
+PJ042531	GVEYYW 	C41H49N7O11	815.349	NA	PeJP	NA	NA
+PJ042532	CLMMRY 	C34H57N9O8S3	815.3493	NA	PeJP	NA	NA
+PJ042533	SCQHRW 	C34H49N13O9S	815.3497	NA	PeJP	NA	NA
+PJ042534	SSSNEHR 	C30H49N13O14	815.3522	NA	PeJP	NA	NA
+PJ042535	GGGGGGSPDR 	C30H49N13O14	815.3523	NA	PeJP	NA	NA
+PJ042536	PDKMYY 	C38H53N7O11S	815.3524	NA	PeJP	NA	NA
+PJ042537	NQMMHR 	C31H53N13O9S2	815.3531	NA	PeJP	NA	NA
+PJ042538	GCKHWW 	C39H49N11O7S	815.3538	NA	PeJP	NA	NA
+PJ042539	TTTTTEY 	C34H53N7O16	815.3549	NA	PeJP	NA	NA
+PJ042540	GTTLMMY 	C35H57N7O11S2	815.3558	NA	PeJP	NA	NA
+PJ042541	GSTTQHW 	C35H49N11O12	815.3562	NA	PeJP	NA	NA
+PJ042542	PNDERW 	C35H49N11O12	815.3563	NA	PeJP	NA	NA
+PJ042543	SPPNDMR 	C32H53N11O12S	815.3596	NA	PeJP	NA	NA
+PJ042544	GGGGGGGGPLM 	C32H53N11O12S	815.3597	NA	PeJP	NA	NA
+PJ042545	APQEWW 	C40H49N9O10	815.3603	NA	PeJP	NA	NA
+PJ042546	ANNNNNR 	C29H49N15O13	815.3634	NA	PeJP	NA	NA
+PJ042547	GNNNNQR 	C29H49N15O13	815.3635	NA	PeJP	NA	NA
+PJ042548	TLEMHW 	C37H53N9O10S	815.3636	NA	PeJP	NA	NA
+PJ042549	GGAPPTMW 	C37H53N9O10S	815.3637	NA	PeJP	NA	NA
+PJ042550	VYYWW 	C45H49N7O8	815.3643	NA	PeJP	NA	NA
+PJ042551	GSSSSTKY 	C33H53N9O15	815.3661	NA	PeJP	NA	NA
+PJ042552	GGAPKEEE 	C33H53N9O15	815.3662	NA	PeJP	NA	NA
+PJ042553	GSCKKMY 	C34H57N9O10S2	815.367	NA	PeJP	NA	NA
+PJ042554	GSSSHRW 	C34H49N13O11	815.3675	NA	PeJP	NA	NA
+PJ042555	GLMFYW 	C42H53N7O8S	815.3677	NA	PeJP	NA	NA
+PJ042556	APTTTYY 	C38H53N7O13	815.3701	NA	PeJP	NA	NA
+PJ042557	VDKEYY 	C38H53N7O13	815.3702	NA	PeJP	NA	NA
+PJ042558	ASSQMHR 	C31H53N13O11S	815.3708	NA	PeJP	NA	NA
+PJ042559	GSTQMHR 	C31H53N13O11S	815.3709	NA	PeJP	NA	NA
+PJ042560	PKMMFY 	C39H57N7O8S2	815.371	NA	PeJP	NA	NA
+PJ042561	GPDRWW 	C39H49N11O9	815.3715	NA	PeJP	NA	NA
+PJ042562	STTTLMY 	C35H57N7O13S	815.3735	NA	PeJP	NA	NA
+PJ042563	LKMMMY 	C36H61N7O8S3	815.3744	NA	PeJP	NA	NA
+PJ042564	GPPTCRW 	C36H53N11O9S	815.3749	NA	PeJP	NA	NA
+PJ042565	AAPWWW 	C44H49N9O7	815.3755	NA	PeJP	NA	NA
+PJ042566	GPTQEER 	C32H53N11O14	815.3774	NA	PeJP	NA	NA
+PJ042567	APPNMMR 	C33H57N11O9S2	815.3782	NA	PeJP	NA	NA
+PJ042568	LEMMHR 	C33H57N11O9S2	815.3783	NA	PeJP	NA	NA
+PJ042569	TEHHHR 	C33H49N15O10	815.3787	NA	PeJP	NA	NA
+PJ042570	PPCKWW 	C41H53N9O7S	815.3789	NA	PeJP	NA	NA
+PJ042571	PQKEEW 	C37H53N9O12	815.3814	NA	PeJP	NA	NA
+PJ042572	GSTCHRR 	C30H53N15O10S	815.3821	NA	PeJP	NA	NA
+PJ042573	VLMMHW 	C38H57N9O7S2	815.3823	NA	PeJP	NA	NA
+PJ042574	GNHFRW 	C38H49N13O8	815.3827	NA	PeJP	NA	NA
+PJ042575	GGGHFRW 	C38H49N13O8	815.3828	NA	PeJP	NA	NA
+PJ042576	SSTCKKY 	C34H57N9O12S	815.3848	NA	PeJP	NA	NA
+PJ042577	ATLYYW 	C42H53N7O10	815.3854	NA	PeJP	NA	NA
+PJ042578	SCKHRW 	C35H53N13O8S	815.3861	NA	PeJP	NA	NA
+PJ042579	GSPDERR 	C31H53N13O13	815.3886	NA	PeJP	NA	NA
+PJ042580	GGGGGGGGGGVK 	C31H53N13O13	815.3887	NA	PeJP	NA	NA
+PJ042581	VLQMYY 	C39H57N7O10S	815.3888	NA	PeJP	NA	NA
+PJ042582	GPPCMRR 	C32H57N13O8S2	815.3895	NA	PeJP	NA	NA
+PJ042583	SPLLEEE 	C35H57N7O15	815.3913	NA	PeJP	NA	NA
+PJ042584	PPVLEMM 	C36H61N7O10S2	815.3922	NA	PeJP	NA	NA
+PJ042585	PTQERW 	C36H53N11O11	815.3926	NA	PeJP	NA	NA
+PJ042586	GGGGAALQW 	C36H53N11O11	815.3927	NA	PeJP	NA	NA
+PJ042587	GPVQEMR 	C33H57N11O11S	815.396	NA	PeJP	NA	NA
+PJ042588	APKEWW 	C41H53N9O9	815.3967	NA	PeJP	NA	NA
+PJ042589	VMHHHR 	C34H53N15O7S	815.3974	NA	PeJP	NA	NA
+PJ042590	SSSSHRR 	C30H53N15O12	815.3998	NA	PeJP	NA	NA
+PJ042591	GGNQERR 	C30H53N15O12	815.3999	NA	PeJP	NA	NA
+PJ042592	GPPTKMW 	C38H57N9O9S	815.4	NA	PeJP	NA	NA
+PJ042593	GLFFFW 	C46H53N7O7	815.4007	NA	PeJP	NA	NA
+PJ042594	GPKKEEE 	C34H57N9O14	815.4025	NA	PeJP	NA	NA
+PJ042595	GGGAALLEE 	C34H57N9O14	815.4026	NA	PeJP	NA	NA
+PJ042596	ATLLMMH 	C35H61N9O9S2	815.4034	NA	PeJP	NA	NA
+PJ042597	SPDRRW 	C35H53N13O10	815.4039	NA	PeJP	NA	NA
+PJ042598	PKMFFF 	C43H57N7O7S	815.4041	NA	PeJP	NA	NA
+PJ042599	TLKEYY 	C39H57N7O12	815.4065	NA	PeJP	NA	NA
+PJ042600	PPVVEEF 	C39H57N7O12	815.4066	NA	PeJP	NA	NA
+PJ042601	PQEMRR 	C32H57N13O10S	815.4072	NA	PeJP	NA	NA
+PJ042602	GAPEMRR 	C32H57N13O10S	815.4073	NA	PeJP	NA	NA
+PJ042603	LKMMFF 	C40H61N7O7S2	815.4074	NA	PeJP	NA	NA
+PJ042604	APTRWW 	C40H53N11O8	815.4079	NA	PeJP	NA	NA
+PJ042605	PVVLEEM 	C36H61N7O12S	815.4099	NA	PeJP	NA	NA
+PJ042606	PVQMRW 	C37H57N11O8S	815.4113	NA	PeJP	NA	NA
+PJ042607	TTTTQKH 	C33H57N11O13	815.4137	NA	PeJP	NA	NA
+PJ042608	GPTKEER 	C33H57N11O13	815.4138	NA	PeJP	NA	NA
+PJ042609	GPPKMMR 	C34H61N11O8S2	815.4146	NA	PeJP	NA	NA
+PJ042610	GNQRRW 	C34H53N15O9	815.4151	NA	PeJP	NA	NA
+PJ042611	PKKEEW 	C38H57N9O11	815.4178	NA	PeJP	NA	NA
+PJ042612	PCERRR 	C31H57N15O9S	815.4185	NA	PeJP	NA	NA
+PJ042613	TTTILMH 	C35H61N9O11S	815.4211	NA	PeJP	NA	NA
+PJ042614	TTTLLMH 	C35H61N9O11S	815.4212	NA	PeJP	NA	NA
+PJ042615	PVKFYY 	C43H57N7O9	815.4218	NA	PeJP	NA	NA
+PJ042616	APMRRW 	C36H57N13O7S	815.4225	NA	PeJP	NA	NA
+PJ042617	VQEERR 	C32H57N13O12	815.425	NA	PeJP	NA	NA
+PJ042618	VLKMYY 	C40H61N7O9S	815.4252	NA	PeJP	NA	NA
+PJ042619	PNHHRR 	C33H53N17O8	815.4263	NA	PeJP	NA	NA
+PJ042620	GGPHHRR 	C33H53N17O8	815.4264	NA	PeJP	NA	NA
+PJ042621	ALLLEEE 	C36H61N7O14	815.4277	NA	PeJP	NA	NA
+PJ042622	PTKERW 	C37H57N11O10	815.429	NA	PeJP	NA	NA
+MJ095314	Maridomycin IV 	C40H65NO16	815.430335	NA	MeJP	NA	NA
+MJ095315	Maridomycin V 	C40H65NO16	815.430335	NA	MeJP	NA	NA
+MJ095316	Carboxymycobactins; Carboxymycobactin 6 	C41H61N5O12	815.431672	NA	MeJP	NA	NA
+PJ042623	GPVKEMR 	C34H61N11O10S	815.4324	NA	PeJP	NA	NA
+PJ042624	SPLKWW 	C42H57N9O8	815.433	NA	PeJP	NA	NA
+PJ042625	GAALLWW 	C42H57N9O8	815.4331	NA	PeJP	NA	NA
+PJ042626	AEERRR 	C31H57N15O11	815.4362	NA	PeJP	NA	NA
+PJ042627	GGGGKERR 	C31H57N15O11	815.4363	NA	PeJP	NA	NA
+PJ042628	AAPLKMW 	C39H61N9O8S	815.4364	NA	PeJP	NA	NA
+PJ042629	SPVKKEE 	C35H61N9O13	815.4389	NA	PeJP	NA	NA
+PJ042630	PPCLKKM 	C36H65N9O8S2	815.4398	NA	PeJP	NA	NA
+PJ042631	GLERRW 	C36H57N13O9	815.4403	NA	PeJP	NA	NA
+PJ042632	PPVVLEY 	C40H61N7O11	815.4429	NA	PeJP	NA	NA
+PJ042633	PKEMRR 	C33H61N13O9S	815.4436	NA	PeJP	NA	NA
+PJ042634	GVLRWW 	C41H57N11O7	815.4443	NA	PeJP	NA	NA
+MJ095317	Bafilomycin B1 	C44H65NO13	815.445591	NA	MeJP	NA	NA
+MJ095318	Bafilomycin E 	C44H65NO13	815.445591	NA	MeJP	NA	NA
+PJ042635	PTLLLEM 	C37H65N7O11S	815.4463	NA	PeJP	NA	NA
+PJ042636	SNQRRR 	C30H57N17O10	815.4475	NA	PeJP	NA	NA
+PJ042637	PVKMRW 	C38H61N11O7S	815.4476	NA	PeJP	NA	NA
+PJ042638	SSPLKER 	C34H61N11O12	815.4501	NA	PeJP	NA	NA
+PJ042639	AALKEER 	C34H61N11O12	815.4502	NA	PeJP	NA	NA
+PJ042640	GNKRRW 	C35H57N15O8	815.4515	NA	PeJP	NA	NA
+PJ042641	LLQKEW 	C39H61N9O10	815.4542	NA	PeJP	NA	NA
+PJ042642	PTMRRR 	C32H61N15O8S	815.4549	NA	PeJP	NA	NA
+PJ042643	LRRWW 	C40H57N13O6	815.4555	NA	PeJP	NA	NA
+PJ042644	SPLLQKM 	C36H65N9O10S	815.4575	NA	PeJP	NA	NA
+PJ042645	APLKKEM 	C36H65N9O10S	815.4576	NA	PeJP	NA	NA
+PJ042646	VLKFFY 	C44H61N7O8	815.4582	NA	PeJP	NA	NA
+PJ042647	VKEERR 	C33H61N13O11	815.4614	NA	PeJP	NA	NA
+PJ042648	PPVLLMF 	C41H65N7O8S	815.4616	NA	PeJP	NA	NA
+PJ042649	SLLLLEE 	C37H65N7O13	815.4641	NA	PeJP	NA	NA
+PJ042650	PVLLLMM 	C38H69N7O8S2	815.4649	NA	PeJP	NA	NA
+PJ042651	VVKERW 	C38H61N11O9	815.4654	NA	PeJP	NA	NA
+PJ042652	APTLKMR 	C35H65N11O9S	815.4688	NA	PeJP	NA	NA
+PJ042653	ALLKWW 	C43H61N9O7	815.4694	NA	PeJP	NA	NA
+PJ042654	SLERRR 	C32H61N15O10	815.4726	NA	PeJP	NA	NA
+PJ042655	GLLKKEE 	C36H65N9O12	815.4753	NA	PeJP	NA	NA
+PJ042656	SVLRRW 	C37H61N13O8	815.4766	NA	PeJP	NA	NA
+PJ042657	GAPLFRR 	C37H61N13O8	815.4767	NA	PeJP	NA	NA
+PJ042658	PPTLLLY 	C41H65N7O10	815.4793	NA	PeJP	NA	NA
+PJ042659	LLQMRR 	C34H65N13O8S	815.48	NA	PeJP	NA	NA
+PJ042660	VVLLLEM 	C38H69N7O10S	815.4827	NA	PeJP	NA	NA
+PJ042661	SNKRRR 	C31H61N17O9	815.4839	NA	PeJP	NA	NA
+PJ042662	GTLLKER 	C35H65N11O11	815.4865	NA	PeJP	NA	NA
+PJ042663	AAAAKKKE 	C35H65N11O11	815.4866	NA	PeJP	NA	NA
+PJ042664	LLKKEW 	C40H65N9O9	815.4906	NA	PeJP	NA	NA
+PJ042665	VVMRRR 	C33H65N15O7S	815.4913	NA	PeJP	NA	NA
+PJ042666	SPLLKKM 	C37H69N9O9S	815.4939	NA	PeJP	NA	NA
+PJ042667	GTTLLRR 	C34H65N13O10	815.4978	NA	PeJP	NA	NA
+PJ042668	TLLKRW 	C39H65N11O8	815.5018	NA	PeJP	NA	NA
+PJ042669	GVLLKMR 	C36H69N11O8S	815.5052	NA	PeJP	NA	NA
+PJ042670	TQKKRR 	C33H65N15O9	815.509	NA	PeJP	NA	NA
+PJ042671	SVLLKKE 	C37H69N9O11	815.5117	NA	PeJP	NA	NA
+PJ042672	AKKKRW 	C38H65N13O7	815.513	NA	PeJP	NA	NA
+PJ042673	PVVLLLY 	C42H69N7O9	815.5157	NA	PeJP	NA	NA
+PJ042674	LLKMRR 	C35H69N13O7S	815.5164	NA	PeJP	NA	NA
+PJ042675	TLLLLLM 	C39H73N7O9S	815.5191	NA	PeJP	NA	NA
+PJ042676	SSLLLKR 	C36H69N11O10	815.5229	NA	PeJP	NA	NA
+PJ042677	APLLKKF 	C41H69N9O8	815.5269	NA	PeJP	NA	NA
+PJ042678	ALLLKKM 	C38H73N9O8S	815.5303	NA	PeJP	NA	NA
+PJ042679	KKKKER 	C35H69N13O9	815.5342	NA	PeJP	NA	NA
+MJ095319	Nephilatoxin 5 	C40H69N11O7	815.538143	NA	MeJP	NA	NA
+PJ042680	VKKKKW 	C40H69N11O7	815.5382	NA	PeJP	NA	NA
+PJ042681	TKKKRR 	C34H69N15O8	815.5454	NA	PeJP	NA	NA
+EUR1026	PC 40:8 [M-H-CH3]-	C48H80NO8P	815.546507	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1026	PC 40:8 [M-H-CH3]-	C48H80NO8P	815.546507	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1026	PC 40:8 [M-H-CH3]-	C48H80NO8P	815.546507	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1026	PC 40:8 [M-H-CH3]-	C48H80NO8P	815.546507	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09309	PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09340	PE(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09341	PE(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09373	PE(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09374	PE(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09405	PE(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09438	PE(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09596	PE(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09597	PE(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09628	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09629	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09661	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09662	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+HMDB09693	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	C47H78NO8P	815.546509	NA	HMDB2010	NA	NA
+PJ042682	TTLLLKK 	C38H73N9O10	815.5481	NA	PeJP	NA	NA
+MJ095320	Nairaiamide B 	C43H73N7O8	815.552062	NA	MeJP	NA	NA
+PJ042683	VVLLLLF 	C43H73N7O8	815.5521	NA	PeJP	NA	NA
+PJ042684	ATLKKKK 	C37H73N11O9	815.5593	NA	PeJP	NA	NA
+EUR953	PC 34:3 [M-H+acetate]-	C42H78NO8P	815.567607	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR953	PC 34:3 [M-H+acetate]-	C42H78NO8P	815.567607	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR953	PC 34:3 [M-H+acetate]-	C42H78NO8P	815.567607	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR953	PC 34:3 [M-H+acetate]-	C42H78NO8P	815.567607	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08753	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	C48H82NO7P	815.582886	NA	HMDB2010	NA	NA
+HMDB08754	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	C48H82NO7P	815.582886	NA	HMDB2010	NA	NA
+HMDB11295	PC(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H82NO7P	815.582886	NA	HMDB2010	NA	NA
+HMDB11328	PC(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H82NO7P	815.582886	NA	HMDB2010	NA	NA
+HMDB07894	PC(14:0/24:1(15Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB07926	PC(14:1(9Z)/24:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB07986	PC(16:0/22:1(13Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08018	PC(16:1(9Z)/22:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08044	PC(18:0/20:1(11Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08076	PC(18:1(11Z)/20:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08109	PC(18:1(9Z)/20:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08268	PC(20:0/18:1(11Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08269	PC(20:0/18:1(9Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08300	PC(20:1(11Z)/18:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08529	PC(22:0/16:1(9Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08561	PC(22:1(13Z)/16:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08756	PC(24:0/14:1(9Z))	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+HMDB08788	PC(24:1(15Z)/14:0)	C46H90NO8P	815.640381	NA	HMDB2010	NA	NA
+MJ095321	2-Amino-6-octadecene-1,3,4-triol, N-(2-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside 	C46H89NO10	815.648648	NA	MeJP	NA	NA
+MJ095322	2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside 	C46H89NO10	815.648648	NA	MeJP	NA	NA
+HMDB09742	PE(24:0/P-18:0)	C47H94NO7P	815.676819	NA	HMDB2010	NA	NA
+HMDB11395	PE(P-18:0/24:0)	C47H94NO7P	815.676819	NA	HMDB2010	NA	NA
+MJ095323	2-Amino-1,3,4-octadecanetriol, N-Tricosanoyl, 1-O-?-D-glucopyranoside 	C47H93NO9	815.685033	NA	MeJP	NA	NA
+EUR1114	SM(d18:1/24:0) monoisotopic mass 	C47H96N2O6P	815.700601	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1114	SM(d18:1/24:0) monoisotopic mass 	C47H96N2O6P	815.700601	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1114	SM(d18:1/24:0) monoisotopic mass 	C47H96N2O6P	815.700601	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1114	SM(d18:1/24:0) monoisotopic mass 	C47H96N2O6P	815.700601	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB11697	SM(d18:1/24:0)	C47H96N2O6P	815.700623	NA	HMDB2010	NA	NA
+MJ095324	Carpinin A 	C34H24O24	816.065751	NA	MeJP	NA	NA
+MJ095325	Furosinin 	C34H24O24	816.065751	NA	MeJP	NA	NA
+MJ095326	Leptosin K2 	C34H36N6O6S6	816.102057	NA	MeJP	NA	NA
+PJ042685	GSCCCDDD 	C26H40N8O16S3	816.1725	NA	PeJP	NA	NA
+C13503	Nitro blue tetrazolium	C40H30N10O6	816.1727	NA	KEGG	NA	NA
+C13504	Transferred to D02004	C40H30N10O6	816.1727	NA	KEGG	NA	NA
+PJ042686	APCCCCCD 	C27H44N8O11S5	816.1733	NA	PeJP	NA	NA
+PJ042687	GPCCCCCE 	C27H44N8O11S5	816.1734	NA	PeJP	NA	NA
+PJ042688	PCCCCCW 	C31H44N8O8S5	816.1886	NA	PeJP	NA	NA
+PJ042689	CCCNDEM 	C27H44N8O13S4	816.1911	NA	PeJP	NA	NA
+PJ042690	CCCCDDR 	C26H44N10O12S4	816.2023	NA	PeJP	NA	NA
+PJ042691	GGGGGTCCCC 	C26H44N10O12S4	816.2024	NA	PeJP	NA	NA
+MJ095327	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3''',3'''',3'''''-Trideoxy 	C45H36O15	816.20542	NA	MeJP	NA	NA
+MJ095328	Antibiotic PF 1158A 	C45H36O15	816.20542	NA	MeJP	NA	NA
+PJ042692	GCCCDMW 	C31H44N8O10S4	816.2064	NA	PeJP	NA	NA
+PJ042693	GSSCCDDM 	C27H44N8O15S3	816.2089	NA	PeJP	NA	NA
+PJ042694	GPTCCCCM 	C28H48N8O10S5	816.2097	NA	PeJP	NA	NA
+FL5FAAGA0033	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside	C38H40O20	816.21129	168781-59-7	knapsack	NA	NA
+MJ095329	Trifolin; 2''-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C38H40O20	816.211293	NA	MeJP	NA	NA
+PJ042695	SSSCCCNN 	C26H44N10O14S3	816.2201	NA	PeJP	NA	NA
+PJ042696	SSCCCEW 	C31H44N8O12S3	816.2241	NA	PeJP	NA	NA
+MJ095330	Oxanthromicin; 3-O-?-D-Galactopyranoside 	C42H40O17	816.226549	NA	MeJP	NA	NA
+PJ042697	SSSSCCDE 	C27H44N8O17S2	816.2266	NA	PeJP	NA	NA
+PJ042698	SCCNEMM 	C28H48N8O12S4	816.2275	NA	PeJP	NA	NA
+MJ095331	Aurantoside A 	C36H46Cl2N2O15	816.227524	NA	MeJP	NA	NA
+PJ042699	CCCYYY 	C36H44N6O10S3	816.2281	NA	PeJP	NA	NA
+FL5FAIGL0003	Syringetin 3-rutinoside-7-glucoside	C35H44O22	816.23242	55481-94-2	knapsack	NA	NA
+FL5FFCGS0026	Limocitrin 3-rutinoside-7-glucoside;Gossypetin 8,3'-dimethyl ether 3-rutinoside-7-glucoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4H-1-benzopyran-4-one	C35H44O22	816.23242	301647-86-9	knapsack	NA	NA
+MJ095332	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C35H44O22	816.232423	NA	MeJP	NA	NA
+MJ095333	3,4',5,7-Tetrahydroxy-3',8-dimethoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C35H44O22	816.232423	NA	MeJP	NA	NA
+MJ095334	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C35H45O22(+)	816.232423	NA	MeJP	NA	NA
+PJ042700	CCCNNNF 	C30H44N10O11S3	816.2353	NA	PeJP	NA	NA
+PJ042701	GGCCCNNF 	C30H44N10O11S3	816.2354	NA	PeJP	NA	NA
+PJ042702	SCCCDMR 	C27H48N10O11S4	816.2387	NA	PeJP	NA	NA
+MJ095335	5-O-?-L-Arabinofuranosyl-L-arabinose; ?-Furanose-form, Me glycoside, pentabenzoyl 	C46H40O14	816.241805	NA	MeJP	NA	NA
+PJ042703	GCNDDMY 	C31H44N8O14S2	816.2419	NA	PeJP	NA	NA
+PJ042704	GSCCMMW 	C32H48N8O9S4	816.2427	NA	PeJP	NA	NA
+PJ042705	GGPCCCMF 	C32H48N8O9S4	816.2428	NA	PeJP	NA	NA
+PJ042706	GSSSCDMM 	C28H48N8O14S3	816.2452	NA	PeJP	NA	NA
+PJ042707	GCNMMMM 	C29H52N8O9S5	816.2461	NA	PeJP	NA	NA
+PJ042708	SCCCQHH 	C29H44N12O10S3	816.2466	NA	PeJP	NA	NA
+MJ095336	Premnoside B 	C39H44O19	816.247679	NA	MeJP	NA	NA
+PJ042709	SNDDDDH 	C29H40N10O18	816.2522	NA	PeJP	NA	NA
+PJ042710	GGSDDDDH 	C29H40N10O18	816.2523	NA	PeJP	NA	NA
+PJ042711	SCCNNNY 	C30H44N10O13S2	816.2531	NA	PeJP	NA	NA
+PJ042712	CCNEYW 	C35H44N8O11S2	816.2571	NA	PeJP	NA	NA
+PJ042713	VCCCCMR 	C28H52N10O8S5	816.2573	NA	PeJP	NA	NA
+PJ042714	ACCCMMR 	C28H52N10O8S5	816.2574	NA	PeJP	NA	NA
+PJ042715	SSCNDEY 	C31H44N8O16S	816.2596	NA	PeJP	NA	NA
+PJ042716	SSTCCMW 	C32H48N8O11S3	816.2605	NA	PeJP	NA	NA
+PJ042717	SSSSSCEM 	C28H48N8O16S2	816.263	NA	PeJP	NA	NA
+PJ042718	SSCQMMM 	C29H52N8O11S4	816.2639	NA	PeJP	NA	NA
+PJ042719	GSSSCCHH 	C29H44N12O12S2	816.2643	NA	PeJP	NA	NA
+PJ042720	DEEMMY 	C33H48N6O14S2	816.267	NA	PeJP	NA	NA
+PJ042721	GPCCDHW 	C34H44N10O10S2	816.2684	NA	PeJP	NA	NA
+MJ095337	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)][4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C36H48O21	816.268808	NA	MeJP	NA	NA
+MJ095338	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)][4-hydroxy-3-methoxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C36H48O21	816.268808	NA	MeJP	NA	NA
+PJ042722	GNDDEMH 	C30H44N10O15S	816.2709	NA	PeJP	NA	NA
+PJ042723	GCCCEFR 	C31H48N10O10S3	816.2717	NA	PeJP	NA	NA
+PJ042724	GCCYWW 	C39H44N8O8S2	816.2724	NA	PeJP	NA	NA
+PJ042725	GSSCDYW 	C35H44N8O13S	816.2749	NA	PeJP	NA	NA
+PJ042726	SSCCMMR 	C28H52N10O10S4	816.2751	NA	PeJP	NA	NA
+PJ042727	CCQMFW 	C36H48N8O8S3	816.2758	NA	PeJP	NA	NA
+PJ042728	GSSSSDDY 	C31H44N8O18	816.2774	NA	PeJP	NA	NA
+PJ042729	ATCCQEY 	C32H48N8O13S2	816.2782	NA	PeJP	NA	NA
+PJ042730	GSNDMMY 	C32H48N8O13S2	816.2783	NA	PeJP	NA	NA
+PJ042731	GCCNHHF 	C33H44N12O9S2	816.2796	NA	PeJP	NA	NA
+PJ042732	DDEEFY 	C36H44N6O16	816.2814	NA	PeJP	NA	NA
+PJ042733	GSSSSMMM 	C29H52N8O13S3	816.2816	NA	PeJP	NA	NA
+PJ042734	GCDDDHR 	C29H44N12O14S	816.2821	NA	PeJP	NA	NA
+PJ042735	ACCKMMM 	C30H56N8O8S5	816.2825	NA	PeJP	NA	NA
+PJ042736	SCCCKHH 	C30H48N12O9S3	816.283	NA	PeJP	NA	NA
+PJ042737	EEMMMF 	C34H52N6O11S3	816.2857	NA	PeJP	NA	NA
+PJ042738	NDDMHW 	C34H44N10O12S	816.2861	NA	PeJP	NA	NA
+PJ042739	CCCFRW 	C35H48N10O7S3	816.287	NA	PeJP	NA	NA
+PJ042740	SSNDEEH 	C30H44N10O17	816.2886	NA	PeJP	NA	NA
+PJ042741	GGGGGGPDDE 	C30H44N10O17	816.2887	NA	PeJP	NA	NA
+PJ042742	GSCCERY 	C31H48N10O12S2	816.2895	NA	PeJP	NA	NA
+PJ042743	MMMMHH 	C32H52N10O7S4	816.2904	NA	PeJP	NA	NA
+PJ042744	NNDEYY 	C35H44N8O15	816.2926	NA	PeJP	NA	NA
+PJ042745	GGGGDEYY 	C35H44N8O15	816.2927	NA	PeJP	NA	NA
+PJ042746	SCQMYW 	C36H48N8O10S2	816.2935	NA	PeJP	NA	NA
+PJ042747	SSSNEMY 	C32H48N8O15S	816.296	NA	PeJP	NA	NA
+PJ042748	NQMMMY 	C33H52N8O10S3	816.2969	NA	PeJP	NA	NA
+PJ042749	GSCNHHY 	C33H44N12O11S	816.2973	NA	PeJP	NA	NA
+PJ042750	GSCNNHW 	C33H44N12O11S	816.2974	NA	PeJP	NA	NA
+MJ095339	12,17-Epoxy-2,5,7,9,10,11,19-heptahydroxy-4(20)-taxen-13-one, 5-Cinnamoyl, 19-benzoyl, 2,7,9,10-tetra-Ac 	C44H48O15	816.29932	NA	MeJP	NA	NA
+PJ042751	SSSSSTMM 	C29H52N8O15S2	816.2994	NA	PeJP	NA	NA
+PJ042752	GSSSNNDH 	C29H44N12O16	816.2999	NA	PeJP	NA	NA
+PJ042753	PDEMYY 	C37H48N6O13S	816.3	NA	PeJP	NA	NA
+PJ042754	SSCKMMM 	C30H56N8O10S4	816.3002	NA	PeJP	NA	NA
+PJ042755	TTCCKMM 	C30H56N8O10S4	816.3003	NA	PeJP	NA	NA
+PJ042756	SPCCDHR 	C30H48N12O11S2	816.3007	NA	PeJP	NA	NA
+PJ042757	GGGGGGGMMH 	C30H48N12O11S2	816.3008	NA	PeJP	NA	NA
+PJ042758	GCEHWW 	C38H44N10O9S	816.3014	NA	PeJP	NA	NA
+PJ042759	GSSDEHW 	C34H44N10O14	816.3039	NA	PeJP	NA	NA
+PJ042760	SCCRYW 	C35H48N10O9S2	816.3047	NA	PeJP	NA	NA
+PJ042761	GSPCMHW 	C35H48N10O9S2	816.3048	NA	PeJP	NA	NA
+PJ042762	SSSCDRY 	C31H48N10O14S	816.3072	NA	PeJP	NA	NA
+PJ042763	PPCDDDR 	C31H48N10O14S	816.3073	NA	PeJP	NA	NA
+PJ042764	GNDYYW 	C39H44N8O12	816.3079	NA	PeJP	NA	NA
+PJ042765	CNMMRY 	C32H52N10O9S3	816.3081	NA	PeJP	NA	NA
+PJ042766	NNNNNNN 	C28H44N14O15	816.3111	NA	PeJP	NA	NA
+PJ042767	GSSSMYW 	C36H48N8O12S	816.3113	NA	PeJP	NA	NA
+PJ042768	GCCNQHR 	C29H48N14O10S2	816.312	NA	PeJP	NA	NA
+PJ042769	CCKMFW 	C37H52N8O7S3	816.3121	NA	PeJP	NA	NA
+PJ042770	GSSSSTEY 	C32H48N8O17	816.3138	NA	PeJP	NA	NA
+PJ042771	GSTQMMY 	C33H52N8O12S2	816.3146	NA	PeJP	NA	NA
+PJ042772	GSPPPCEM 	C33H52N8O12S2	816.3147	NA	PeJP	NA	NA
+PJ042773	GNNNDHF 	C33H44N12O13	816.3151	NA	PeJP	NA	NA
+PJ042774	CHWWW 	C42H44N10O6S	816.3166	NA	PeJP	NA	NA
+PJ042775	VDEEYY 	C37H48N6O15	816.3178	NA	PeJP	NA	NA
+PJ042776	GSDDMHR 	C30H48N12O13S	816.3185	NA	PeJP	NA	NA
+PJ042777	PEMMFY 	C38H52N6O10S2	816.3187	NA	PeJP	NA	NA
+PJ042778	SSDHWW 	C38H44N10O11	816.3191	NA	PeJP	NA	NA
+PJ042779	APCCMHR 	C31H52N12O8S3	816.3194	NA	PeJP	NA	NA
+MJ095340	Bussein K 	C41H52O17	816.32045	NA	MeJP	NA	NA
+MJ095341	Terracinolide A; 13?-Hydroxy, 15-de-Ac 	C41H52O17	816.32045	NA	MeJP	NA	NA
+MJ095342	Utilin 	C41H52O17	816.32045	NA	MeJP	NA	NA
+PJ042780	LEMMMY 	C35H56N6O10S3	816.322	NA	PeJP	NA	NA
+PJ042781	SQEMHW 	C35H48N10O11S	816.3225	NA	PeJP	NA	NA
+PJ042782	CHHHHF 	C36H44N14O7S	816.3239	NA	PeJP	NA	NA
+PJ042783	GPDDEER 	C31H48N10O16	816.325	NA	PeJP	NA	NA
+PJ042784	GSTCMRY 	C32H52N10O11S2	816.3259	NA	PeJP	NA	NA
+PJ042785	ASNDHHH 	C32H44N14O12	816.3263	NA	PeJP	NA	NA
+PJ042786	GSNEHHH 	C32H44N14O12	816.3264	NA	PeJP	NA	NA
+PJ042787	PPCEWW 	C40H48N8O9S	816.3265	NA	PeJP	NA	NA
+PJ042788	SSSSTYW 	C36H48N8O14	816.329	NA	PeJP	NA	NA
+PJ042789	SSCNNHR 	C29H48N14O12S	816.3297	NA	PeJP	NA	NA
+PJ042790	SCKMYW 	C37H52N8O9S2	816.3299	NA	PeJP	NA	NA
+PJ042791	SSSDKMY 	C33H52N8O14S	816.3324	NA	PeJP	NA	NA
+PJ042792	PPDYYY 	C41H48N6O12	816.333	NA	PeJP	NA	NA
+PJ042793	PDEFFY 	C41H48N6O12	816.3331	NA	PeJP	NA	NA
+PJ042794	NKMMMY 	C34H56N8O9S3	816.3333	NA	PeJP	NA	NA
+PJ042795	SCEHRW 	C34H48N12O10S	816.3337	NA	PeJP	NA	NA
+PJ042796	SSSDEHR 	C30H48N12O15	816.3362	NA	PeJP	NA	NA
+PJ042797	GGSPNDDR 	C30H48N12O15	816.3363	NA	PeJP	NA	NA
+PJ042798	VEEMFY 	C38H52N6O12S	816.3364	NA	PeJP	NA	NA
+PJ042799	NEMMHR 	C31H52N12O10S2	816.3371	NA	PeJP	NA	NA
+PJ042800	GTMHWW 	C39H48N10O8S	816.3378	NA	PeJP	NA	NA
+PJ042801	PDDERW 	C35H48N10O13	816.3403	NA	PeJP	NA	NA
+PJ042802	VNMMHW 	C36H52N10O8S2	816.3411	NA	PeJP	NA	NA
+PJ042803	SNHHHW 	C36H44N14O9	816.3416	NA	PeJP	NA	NA
+PJ042804	SSSSMRY 	C32H52N10O13S	816.3436	NA	PeJP	NA	NA
+PJ042805	GGGGGGPVEM 	C32H52N10O13S	816.3437	NA	PeJP	NA	NA
+PJ042806	APEEWW 	C40H48N8O11	816.3443	NA	PeJP	NA	NA
+PJ042807	APCKMMH 	C33H56N10O8S3	816.3445	NA	PeJP	NA	NA
+PJ042808	QQMHHH 	C33H48N14O9S	816.345	NA	PeJP	NA	NA
+PJ042809	GNNNNER 	C29H48N14O14	816.3475	NA	PeJP	NA	NA
+PJ042810	VNQMYY 	C37H52N8O11S	816.3476	NA	PeJP	NA	NA
+PJ042811	GPPTEMW 	C37H52N8O11S	816.3477	NA	PeJP	NA	NA
+PJ042812	GCCNKHR 	C30H52N14O9S2	816.3483	NA	PeJP	NA	NA
+PJ042813	CDMHRR 	C30H52N14O9S2	816.3484	NA	PeJP	NA	NA
+PJ042814	SSSSSSLY 	C33H52N8O16	816.3501	NA	PeJP	NA	NA
+PJ042815	GPKEEEE 	C33H52N8O16	816.3502	NA	PeJP	NA	NA
+PJ042816	GSTKMMY 	C34H56N8O11S2	816.351	NA	PeJP	NA	NA
+PJ042817	NNQQQW 	C34H48N12O12	816.3515	NA	PeJP	NA	NA
+PJ042818	PPMFYY 	C42H52N6O9S	816.3517	NA	PeJP	NA	NA
+PJ042819	GMMHRW 	C35H52N12O7S2	816.3524	NA	PeJP	NA	NA
+PJ042820	TLEEYY 	C38H52N6O14	816.3542	NA	PeJP	NA	NA
+PJ042821	GSTEMHR 	C31H52N12O12S	816.3549	NA	PeJP	NA	NA
+PJ042822	PLMMYY 	C39H56N6O9S2	816.355	NA	PeJP	NA	NA
+PJ042823	LEMMFF 	C39H56N6O9S2	816.3551	NA	PeJP	NA	NA
+PJ042824	STTHWW 	C39H48N10O10	816.3555	NA	PeJP	NA	NA
+PJ042825	CQHHHR 	C32H48N16O8S	816.3562	NA	PeJP	NA	NA
+PJ042826	SKEMHW 	C36H52N10O10S	816.3589	NA	PeJP	NA	NA
+PJ042827	GNFFFW 	C44H48N8O8	816.3595	NA	PeJP	NA	NA
+PJ042828	GGGFFFW 	C44H48N8O8	816.3596	NA	PeJP	NA	NA
+PJ042829	GPTEEER 	C32H52N10O15	816.3614	NA	PeJP	NA	NA
+MJ095343	Antibiotic CP 54883 	C41H62Cl2O12	816.361832	NA	MeJP	NA	NA
+PJ042830	GPPEMMR 	C33H56N10O10S2	816.3623	NA	PeJP	NA	NA
+PJ042831	NNNNRW 	C33H48N14O11	816.3627	NA	PeJP	NA	NA
+PJ042832	GGGGGGNRW 	C33H48N14O11	816.3628	NA	PeJP	NA	NA
+PJ042833	PPTMWW 	C41H52N8O8S	816.3629	NA	PeJP	NA	NA
+PJ042834	PKEEEW 	C37H52N8O13	816.3654	NA	PeJP	NA	NA
+PJ042835	GPCNDRR 	C30H52N14O11S	816.3661	NA	PeJP	NA	NA
+PJ042836	GPPVMMW 	C38H56N8O8S2	816.3663	NA	PeJP	NA	NA
+PJ042837	GDHFRW 	C38H48N12O9	816.3668	NA	PeJP	NA	NA
+PJ042838	SSTTKMY 	C34H56N8O13S	816.3688	NA	PeJP	NA	NA
+PJ042839	PVEFYY 	C42H52N6O11	816.3694	NA	PeJP	NA	NA
+PJ042840	STMHRW 	C35H52N12O9S	816.3701	NA	PeJP	NA	NA
+PJ042841	AAHFWW 	C43H48N10O7	816.3708	NA	PeJP	NA	NA
+PJ042842	SSTTEHR 	C31H52N12O14	816.3726	NA	PeJP	NA	NA
+PJ042843	GGGGGGAQKE 	C31H52N12O14	816.3727	NA	PeJP	NA	NA
+PJ042844	VLEMYY 	C39H56N6O11S	816.3728	NA	PeJP	NA	NA
+PJ042845	DKMMHR 	C32H56N12O9S2	816.3735	NA	PeJP	NA	NA
+PJ042846	GSSHHHR 	C32H48N16O10	816.374	NA	PeJP	NA	NA
+PJ042847	PCKHFW 	C40H52N10O7S	816.3742	NA	PeJP	NA	NA
+PJ042848	SSSTLHW 	C36H52N10O12	816.3766	NA	PeJP	NA	NA
+PJ042849	PTEERW 	C36H52N10O12	816.3767	NA	PeJP	NA	NA
+PJ042850	PPMMRW 	C37H56N10O7S2	816.3775	NA	PeJP	NA	NA
+PJ042851	GPVEEMR 	C33H56N10O12S	816.38	NA	PeJP	NA	NA
+PJ042852	SPLEWW 	C41H52N8O10	816.3807	NA	PeJP	NA	NA
+PJ042853	APPCHHR 	C34H52N14O8S	816.3814	NA	PeJP	NA	NA
+PJ042854	GSNQQQR 	C30H52N14O13	816.3838	NA	PeJP	NA	NA
+PJ042855	NNEERR 	C30H52N14O13	816.3839	NA	PeJP	NA	NA
+PJ042856	AAPLEMW 	C38H56N8O10S	816.384	NA	PeJP	NA	NA
+PJ042857	GPVVEMW 	C38H56N8O10S	816.3841	NA	PeJP	NA	NA
+PJ042858	PPFFFY 	C46H52N6O8	816.3847	NA	PeJP	NA	NA
+PJ042859	SPVKEEE 	C34H56N8O15	816.3865	NA	PeJP	NA	NA
+PJ042860	GGALLEEE 	C34H56N8O15	816.3866	NA	PeJP	NA	NA
+PJ042861	PPVDKMM 	C35H60N8O10S2	816.3874	NA	PeJP	NA	NA
+PJ042862	AQQERW 	C35H52N12O11	816.3879	NA	PeJP	NA	NA
+PJ042863	PLMFFY 	C43H56N6O8S	816.3881	NA	PeJP	NA	NA
+PJ042864	LHHHHH 	C36H48N16O7	816.3892	NA	PeJP	NA	NA
+MJ095344	Vinflunine 	C45H54F2N4O8	816.390971	NA	MeJP	NA	NA
+PJ042865	SSSLMHR 	C32H56N12O11S	816.3912	NA	PeJP	NA	NA
+PJ042866	PEEMRR 	C32H56N12O11S	816.3913	NA	PeJP	NA	NA
+PJ042867	LLMMFY 	C40H60N6O8S2	816.3914	NA	PeJP	NA	NA
+PJ042868	SPNKWW 	C40H52N10O9	816.3919	NA	PeJP	NA	NA
+PJ042869	CKHHHR 	C33H52N16O7S	816.3926	NA	PeJP	NA	NA
+PJ042870	GSNNNRR 	C29H52N16O12	816.3951	NA	PeJP	NA	NA
+PJ042871	PVEMRW 	C37H56N10O9S	816.3953	NA	PeJP	NA	NA
+PJ042872	AALEEER 	C33H56N10O14	816.3978	NA	PeJP	NA	NA
+PJ042873	SPPVMMR 	C34H60N10O9S2	816.3986	NA	PeJP	NA	NA
+PJ042874	PPTCLMR 	C34H60N10O9S2	816.3987	NA	PeJP	NA	NA
+PJ042875	GNERRW 	C34H52N14O10	816.3991	NA	PeJP	NA	NA
+PJ042876	PVVMWW 	C42H56N8O7S	816.3993	NA	PeJP	NA	NA
+MJ095345	N-Deacyltunicamycin; N4''-(12-Methyl-2-tridecenoyl) 	C37H60N4O16	816.400431	NA	MeJP	NA	NA
+MJ095346	N-Deacyltunicamycin; N4''-(2-Tetradecenoyl) 	C37H60N4O16	816.400431	NA	MeJP	NA	NA
+PJ042877	LLQEEW 	C38H56N8O12	816.4018	NA	PeJP	NA	NA
+MJ095347	Oscillariolide 	C41H69BrO11	816.402325	NA	MeJP	NA	NA
+PJ042878	GSPNMRR 	C31H56N14O10S	816.4025	NA	PeJP	NA	NA
+PJ042879	AAQRWW 	C39H52N12O8	816.4031	NA	PeJP	NA	NA
+PJ042880	GGGVRWW 	C39H52N12O8	816.4032	NA	PeJP	NA	NA
+PJ042881	APLKEEM 	C35H60N8O12S	816.4052	NA	PeJP	NA	NA
+PJ042882	PVLYYY 	C43H56N6O10	816.4058	NA	PeJP	NA	NA
+PJ042883	PCQKRW 	C36H56N12O8S	816.4065	NA	PeJP	NA	NA
+PJ042884	VEEERR 	C32H56N12O13	816.409	NA	PeJP	NA	NA
+PJ042885	ACCKKKH 	C33H60N12O8S2	816.4099	NA	PeJP	NA	NA
+PJ042886	PDHHRR 	C33H52N16O9	816.4104	NA	PeJP	NA	NA
+PJ042887	VVEERW 	C37H56N10O11	816.413	NA	PeJP	NA	NA
+PJ042888	AAAAAKEW 	C37H56N10O11	816.4131	NA	PeJP	NA	NA
+MJ095348	2-Hydroxy-6-(16-hydroxyheptadecyl)benzoic acid, 16'-O-[(2-O-Acetyl-?-D-mannopyranosyl)-(1?5)-2-O-acetyl-D-mannonoyl] 	C40H64O17	816.41435	NA	MeJP	NA	NA
+PJ042889	NRRWW 	C38H52N14O7	816.4144	NA	PeJP	NA	NA
+PJ042890	APTLEMR 	C34H60N10O11S	816.4164	NA	PeJP	NA	NA
+MJ095349	Axinellin A 	C42H56N8O9	816.417025	NA	MeJP	NA	NA
+MJ095350	Pseudostellarin G 	C42H56N8O9	816.417025	NA	MeJP	NA	NA
+PJ042891	ALLEWW 	C42H56N8O9	816.4171	NA	PeJP	NA	NA
+PJ042892	AMHFRR 	C35H56N14O7S	816.4178	NA	PeJP	NA	NA
+PJ042893	TQQERR 	C31H56N14O12	816.4202	NA	PeJP	NA	NA
+PJ042894	NDKERR 	C31H56N14O12	816.4203	NA	PeJP	NA	NA
+PJ042895	GPTLLMW 	C39H60N8O9S	816.4204	NA	PeJP	NA	NA
+PJ042896	PLFFFF 	C47H56N6O7	816.4211	NA	PeJP	NA	NA
+PJ042897	GLLKEEE 	C35H60N8O14	816.4229	NA	PeJP	NA	NA
+PJ042898	PPTLKMM 	C36H64N8O9S2	816.4238	NA	PeJP	NA	NA
+PJ042899	AQKERW 	C36H56N12O10	816.4243	NA	PeJP	NA	NA
+PJ042900	LLMFFF 	C44H60N6O7S	816.4245	NA	PeJP	NA	NA
+PJ042901	GPTQKMR 	C33H60N12O10S	816.4276	NA	PeJP	NA	NA
+PJ042902	GGAPTKMR 	C33H60N12O10S	816.4277	NA	PeJP	NA	NA
+PJ042903	GLQKWW 	C41H56N10O8	816.4283	NA	PeJP	NA	NA
+MJ095351	Cryptoporic acid G; 5'''?15-Lactone 	C44H64O14	816.429606	NA	MeJP	NA	NA
+PJ042904	SNERRR 	C30H56N16O11	816.4315	NA	PeJP	NA	NA
+PJ042905	PQKKMW 	C38H60N10O8S	816.4317	NA	PeJP	NA	NA
+PJ042906	STLLQQQ 	C34H60N10O13	816.4341	NA	PeJP	NA	NA
+PJ042907	GTLLEER 	C34H60N10O13	816.4342	NA	PeJP	NA	NA
+PJ042908	GPLLMMR 	C35H64N10O8S2	816.435	NA	PeJP	NA	NA
+PJ042909	GDKRRW 	C35H56N14O9	816.4355	NA	PeJP	NA	NA
+PJ042910	LLKEEW 	C39H60N8O11	816.4382	NA	PeJP	NA	NA
+PJ042911	VQQMRR 	C32H60N14O9S	816.4389	NA	PeJP	NA	NA
+PJ042912	AAKRWW 	C40H56N12O7	816.4395	NA	PeJP	NA	NA
+PJ042913	SPLLKEM 	C36H64N8O11S	816.4416	NA	PeJP	NA	NA
+PJ042914	VLLFYY 	C44H60N6O9	816.4422	NA	PeJP	NA	NA
+PJ042915	PCKKRW 	C37H60N12O7S	816.4429	NA	PeJP	NA	NA
+PJ042916	QKKEER 	C33H60N12O12	816.4454	NA	PeJP	NA	NA
+PJ042917	GSRRRW 	C34H56N16O8	816.4467	NA	PeJP	NA	NA
+PJ042918	TLLERW 	C38H60N10O10	816.4494	NA	PeJP	NA	NA
+PJ042919	AQMRRR 	C31H60N16O8S	816.4501	NA	PeJP	NA	NA
+MJ095352	Pregn-5-ene-3,8,11,12,14,20-hexol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C41H68O16	816.450736	NA	MeJP	NA	NA
+PJ042920	GVLLEMR 	C35H64N10O10S	816.4528	NA	PeJP	NA	NA
+PJ042921	SLLLWW 	C43H60N8O8	816.4534	NA	PeJP	NA	NA
+PJ042922	GPVVLFW 	C43H60N8O8	816.4535	NA	PeJP	NA	NA
+PJ042923	TQKERR 	C32H60N14O11	816.4566	NA	PeJP	NA	NA
+PJ042924	GGGGGTKKR 	C32H60N14O11	816.4567	NA	PeJP	NA	NA
+PJ042925	AALLLMW 	C40H64N8O8S	816.4568	NA	PeJP	NA	NA
+PJ042926	SVLLKEE 	C36H64N8O13	816.4593	NA	PeJP	NA	NA
+PJ042927	PVVLKMM 	C37H68N8O8S2	816.4602	NA	PeJP	NA	NA
+PJ042928	AKKERW 	C37H60N12O9	816.4607	NA	PeJP	NA	NA
+PJ042929	ACRRRR 	C30H60N18O7S	816.4614	NA	PeJP	NA	NA
+PJ042930	LLEMRR 	C34H64N12O9S	816.464	NA	PeJP	NA	NA
+PJ042931	GLKKWW 	C42H60N10O7	816.4647	NA	PeJP	NA	NA
+MJ095353	Cholesta-5,24-diene-3,11,16,22-tetrol, 24,25-Dihydro, 16-O-[3,4,5-trimethoxybenzoyl-(?3)-2-O-acetyl-?-L-rhamnopyranoside] 	C45H68O13	816.465992	NA	MeJP	NA	NA
+PJ042932	SDKRRR 	C31H60N16O10	816.4679	NA	PeJP	NA	NA
+PJ042933	VLLMRW 	C39H64N10O7S	816.468	NA	PeJP	NA	NA
+PJ042934	SSLLLER 	C35H64N10O12	816.4705	NA	PeJP	NA	NA
+PJ042935	VVTTLER 	C35H64N10O12	816.4706	NA	PeJP	NA	NA
+PJ042936	ATKRRW 	C36H60N14O8	816.4719	NA	PeJP	NA	NA
+PJ042937	ATTLLLW 	C40H64N8O10	816.4746	NA	PeJP	NA	NA
+PJ042938	VQKMRR 	C33H64N14O8S	816.4753	NA	PeJP	NA	NA
+PJ042939	ALLLKEM 	C37H68N8O10S	816.4779	NA	PeJP	NA	NA
+PJ042940	VVVLKEM 	C37H68N8O10S	816.478	NA	PeJP	NA	NA
+PJ042941	SSRRRR 	C30H60N18O9	816.4791	NA	PeJP	NA	NA
+PJ042942	KKKEER 	C34H64N12O11	816.4818	NA	PeJP	NA	NA
+PJ042943	VLHHRR 	C35H60N16O7	816.4831	NA	PeJP	NA	NA
+3322	NA	RRPYIL	816.485	celiac toxic	Inhouse_peptide	NA	peptide
+PJ042944	VKKKEW 	C39H64N10O9	816.4858	NA	PeJP	NA	NA
+PJ042945	AKMRRR 	C32H64N16O7S	816.4865	NA	PeJP	NA	NA
+MJ095354	20,24-Epoxydammarane-3,12-25,30-tetrol, 25,30-Di-O-?-D-glucopyranoside 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095355	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095356	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3,23-Di-O-?-D-glucopyranoside 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095357	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095358	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-?-D-Glucopyranoside, 23-O-?-D-glucopyranoside 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095359	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095360	21-Baccharene-3,18,23,28,29-pentol, 3,28-Di-O-?-D-glucopyranoside 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095361	Cucurbit-5-ene-3,11,20,24,25-pentol, 3,25-Di-O-?-D-glucopyranoside 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095362	Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095363	Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095364	Cycloartane-3,16,20,24,25-pentol, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095365	Cycloartane-3,16,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095366	Dammar-23-ene-3,6,12,20,25-pentol, 6,20-Di-O-?-D-glucopyranoside 	C42H72O15	816.487121	NA	MeJP	NA	NA
+MJ095367	Dammar-24-ene-1,3,12,20,26-pentol, 20-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H72O15	816.487121	NA	MeJP	NA	NA
+PJ042946	ATLLLMR 	C36H68N10O9S	816.4892	NA	PeJP	NA	NA
+PJ042947	TKKERR 	C33H64N14O10	816.493	NA	PeJP	NA	NA
+HMDB10674	PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H73O10P	816.494141	NA	HMDB2010	NA	NA
+HMDB10689	PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H73O10P	816.494141	NA	HMDB2010	NA	NA
+PJ042948	TTLLLKE 	C37H68N8O12	816.4957	NA	PeJP	NA	NA
+PJ042949	SLKKRW 	C38H64N12O8	816.497	NA	PeJP	NA	NA
+PJ042950	AALKKMR 	C35H68N12O8S	816.5004	NA	PeJP	NA	NA
+MJ095368	12-Oleanene-3,16,21,22,24,28-hexol, 21-O-(3,4-Diangeloyl-6-deoxy-?-D-glucopyranoside) 	C46H72O12	816.502377	NA	MeJP	NA	NA
+MJ095369	12-Oleanene-3,16,21,22,24,28-hexol, 21-O-(3,4-Diangeloyl-?-D-fucopyranoside) 	C46H72O12	816.502377	NA	MeJP	NA	NA
+PJ042951	TTKRRR 	C32H64N16O9	816.5043	NA	PeJP	NA	NA
+MJ095370	1,2-Diacylglycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranosides); 2-O-Hexadecanoyl-1-O-(9Z,12Z,15Z-octadecatrienoyl)glycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranoside)-form 	C43H76O12S	816.505748	NA	MeJP	NA	NA
+MJ095371	1,2-Diacylglycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranosides); 2-O-Hexadecanoyl-1-O-(9Z,12Z,15Z-octadecatrienoyl)glycerol 3-(6-deoxy-6-sulfo-?-D-glucopyranoside)-form 	C43H76O12S	816.505748	NA	MeJP	NA	NA
+PJ042952	TTTLLLR 	C36H68N10O11	816.5069	NA	PeJP	NA	NA
+PJ042953	APLLLKY 	C41H68N8O9	816.511	NA	PeJP	NA	NA
+PJ042954	VKKMRR 	C34H68N14O7S	816.5117	NA	PeJP	NA	NA
+PJ042955	SLLLLKM 	C38H72N8O9S	816.5143	NA	PeJP	NA	NA
+PJ042956	ATTLKKR 	C35H68N12O10	816.5182	NA	PeJP	NA	NA
+PJ042957	GVLLLFR 	C40H68N10O8	816.5222	NA	PeJP	NA	NA
+PJ042958	GLLKKKM 	C37H72N10O8S	816.5256	NA	PeJP	NA	NA
+PJ042959	LLLFRR 	C39H68N12O7	816.5334	NA	PeJP	NA	NA
+PJ042960	STLLKKK 	C37H72N10O10	816.5433	NA	PeJP	NA	NA
+PJ042961	ALLLLKF 	C42H72N8O8	816.5473	NA	PeJP	NA	NA
+PJ042962	GTKKKKK 	C36H72N12O9	816.5546	NA	PeJP	NA	NA
+MJ095372	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-hexadecanoyl 	C52H80O7	816.590404	NA	MeJP	NA	NA
+MJ095373	Crambescidin 816 	C45H80N6O7	816.608848	NA	MeJP	NA	NA
+EUR1098	SM(d18:1/20:1) [M-H+acetate]-	C43H85N2O6P	816.635626	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1098	SM(d18:1/20:1) [M-H+acetate]-	C43H85N2O6P	816.635626	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1098	SM(d18:1/20:1) [M-H+acetate]-	C43H85N2O6P	816.635626	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1098	SM(d18:1/20:1) [M-H+acetate]-	C43H85N2O6P	816.635626	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095374	Plastoquinone; Plastoquinone 10 	C58H88O2	816.678432	NA	MeJP	NA	NA
+HMDB12094	SM(d18:0/24:0)	C47H97N2O6P	816.708435	NA	HMDB2010	NA	NA
+HMDB11706	TG(15:0/18:1(9Z)/16:1(9Z))[iso6]	C52H96O6	816.720703	NA	HMDB2010	NA	NA
+HMDB11710	TG(15:0/18:2(9Z,12Z)/16:0)[iso6]	C52H96O6	816.720703	NA	HMDB2010	NA	NA
+MJ095375	1-Octacosanol; Octacosanoyl 	C56H112O2	816.866232	NA	MeJP	NA	NA
+PJ042963	CCCDDEM 	C27H43N7O14S4	817.1751	NA	PeJP	NA	NA
+PJ042964	CCCCCHF 	C30H43N9O8S5	817.1839	NA	PeJP	NA	NA
+PJ042965	GSCCCCNE 	C26H43N9O13S4	817.1863	NA	PeJP	NA	NA
+PJ042966	GGGSCCCCE 	C26H43N9O13S4	817.1864	NA	PeJP	NA	NA
+PJ042967	SCCCCNW 	C30H43N9O10S4	817.2016	NA	PeJP	NA	NA
+PJ042968	SSSCCCND 	C26H43N9O15S3	817.2041	NA	PeJP	NA	NA
+PJ042969	CCCNNMM 	C27H47N9O10S5	817.205	NA	PeJP	NA	NA
+PJ042970	PCCCDDY 	C31H43N7O13S3	817.2081	NA	PeJP	NA	NA
+PJ042971	SCCDEMM 	C28H47N7O13S4	817.2115	NA	PeJP	NA	NA
+PJ042972	PCCCMMM 	C29H51N7O8S6	817.2124	NA	PeJP	NA	NA
+PJ042973	CCCCCQR 	C26H47N11O9S5	817.2162	NA	PeJP	NA	NA
+FL7AACGL0036	Alatanin 1	C38H41O20	817.21911	131189-50-9	knapsack	NA	NA
+FL7AACGL0037	Alatanin C	C38H41O20	817.21911	138688-63-8	knapsack	NA	NA
+PJ042974	CCCNNDF 	C30H43N9O12S3	817.2194	NA	PeJP	NA	NA
+PJ042975	GSSCCCQM 	C27H47N9O12S4	817.2227	NA	PeJP	NA	NA
+PJ042976	GCDDDMY 	C31H43N7O15S2	817.2259	NA	PeJP	NA	NA
+PJ042977	PCCCDMF 	C32H47N7O10S4	817.2268	NA	PeJP	NA	NA
+PJ042978	GCDMMMM 	C29H51N7O10S5	817.2301	NA	PeJP	NA	NA
+PJ042979	SCCCEHH 	C29H43N11O11S3	817.2306	NA	PeJP	NA	NA
+PJ042980	GSSCCCCR 	C26H47N11O11S4	817.234	NA	PeJP	NA	NA
+PJ042981	SDDDDDH 	C29H39N9O19	817.2363	NA	PeJP	NA	NA
+PJ042982	SCCNNDY 	C30H43N9O14S2	817.2371	NA	PeJP	NA	NA
+FL7AAIGL0007	Malvidin 3-gentiotrioside	C35H45O22	817.24024	-	knapsack	NA	NA
+FL7AAIGL0008	Malvidin 3-sophoroside-5-glucoside	C35H45O22	817.24024	61811-04-9	knapsack	NA	NA
+PJ042983	SSSSCCNM 	C27H47N9O14S3	817.2405	NA	PeJP	NA	NA
+PJ042984	CCDEYW 	C35H43N7O12S2	817.2411	NA	PeJP	NA	NA
+PJ042985	CCCCQKM 	C28H51N9O9S5	817.2414	NA	PeJP	NA	NA
+PJ042986	SSCDDEY 	C31H43N7O17S	817.2436	NA	PeJP	NA	NA
+PJ042987	SPCCDMY 	C32H47N7O12S3	817.2445	NA	PeJP	NA	NA
+PJ042988	SSCEMMM 	C29H51N7O12S4	817.2479	NA	PeJP	NA	NA
+PJ042989	GCCMMHH 	C30H47N11O8S4	817.2492	NA	PeJP	NA	NA
+PJ042990	CCCCCKR 	C27H51N11O8S5	817.2526	NA	PeJP	NA	NA
+PJ042991	GDDDEMH 	C30H43N9O16S	817.2549	NA	PeJP	NA	NA
+PJ042992	GCCNQMY 	C31H47N9O11S3	817.2557	NA	PeJP	NA	NA
+PJ042993	GGGCCQMY 	C31H47N9O11S3	817.2558	NA	PeJP	NA	NA
+PJ042994	GSSSSSTCC 	C27H47N9O16S2	817.2582	NA	PeJP	NA	NA
+PJ042995	GCDDDFF 	C35H43N7O14S	817.2589	NA	PeJP	NA	NA
+PJ042996	GSSCCCKM 	C28H51N9O11S4	817.2591	NA	PeJP	NA	NA
+PJ042997	CCNNNNH 	C28H43N13O12S2	817.2596	NA	PeJP	NA	NA
+PJ042998	CCEMFW 	C36H47N7O9S3	817.2598	NA	PeJP	NA	NA
+PJ042999	GSDDMMY 	C32H47N7O14S2	817.2623	NA	PeJP	NA	NA
+PJ043000	APCCMMY 	C33H51N7O9S4	817.2631	NA	PeJP	NA	NA
+PJ043001	GCCDHHF 	C33H43N11O10S2	817.2636	NA	PeJP	NA	NA
+PJ043002	SCNNDEH 	C29H43N11O15S	817.2661	NA	PeJP	NA	NA
+PJ043003	GSMMMMM 	C30H55N7O9S5	817.2665	NA	PeJP	NA	NA
+PJ043004	GCCCNRY 	C30H47N11O10S3	817.267	NA	PeJP	NA	NA
+PJ043005	DDDMHW 	C34H43N9O13S	817.2701	NA	PeJP	NA	NA
+PJ043006	SSDDEEH 	C30H43N9O18	817.2726	NA	PeJP	NA	NA
+PJ043007	GGPNDDDE 	C30H43N9O18	817.2727	NA	PeJP	NA	NA
+PJ043008	SSCNNMY 	C31H47N9O13S2	817.2735	NA	PeJP	NA	NA
+PJ043009	PPCCMMH 	C32H51N9O8S4	817.2744	NA	PeJP	NA	NA
+PJ043010	SSSSSSSSC 	C27H47N9O18S	817.276	NA	PeJP	NA	NA
+PJ043011	NDDEYY 	C35H43N7O16	817.2767	NA	PeJP	NA	NA
+PJ043012	SSSTCCCK 	C28H51N9O13S3	817.2769	NA	PeJP	NA	NA
+PJ043013	SCEMYW 	C36H47N7O11S2	817.2775	NA	PeJP	NA	NA
+PJ043014	CCCCKKM 	C29H55N9O8S5	817.2778	NA	PeJP	NA	NA
+PJ043015	SSSDEMY 	C32H47N7O16S	817.28	NA	PeJP	NA	NA
+PJ043016	NEMMMY 	C33H51N7O11S3	817.2809	NA	PeJP	NA	NA
+PJ043017	GSCNDHW 	C33H43N11O12S	817.2814	NA	PeJP	NA	NA
+PJ043018	GSSSNDDH 	C29H43N11O17	817.2839	NA	PeJP	NA	NA
+PJ043019	SSTMMMM 	C30H55N7O11S4	817.2843	NA	PeJP	NA	NA
+PJ043020	GNNDMMH 	C30H47N11O12S2	817.2847	NA	PeJP	NA	NA
+PJ043021	GGGNDMMH 	C30H47N11O12S2	817.2848	NA	PeJP	NA	NA
+PJ043022	GPNDDDW 	C34H43N9O15	817.2879	NA	PeJP	NA	NA
+PJ043023	GCCNQFF 	C35H47N9O10S2	817.2888	NA	PeJP	NA	NA
+PJ043024	GSSSSCQY 	C31H47N9O15S	817.2913	NA	PeJP	NA	NA
+PJ043025	GDDYYW 	C39H43N7O13	817.2919	NA	PeJP	NA	NA
+PJ043026	CDMMRY 	C32H51N9O10S3	817.2921	NA	PeJP	NA	NA
+PJ043027	GGGPPPCCM 	C32H51N9O10S3	817.2922	NA	PeJP	NA	NA
+PJ043028	PCCFYW 	C40H47N7O8S2	817.2928	NA	PeJP	NA	NA
+PJ043029	NNNNNND 	C28H43N13O16	817.2951	NA	PeJP	NA	NA
+PJ043030	GGGGGGGGGGGGD 	C28H43N13O16	817.2952	NA	PeJP	NA	NA
+PJ043031	GSPCEYY 	C36H47N7O13S	817.2953	NA	PeJP	NA	NA
+PJ043032	GCCNEHR 	C29H47N13O11S2	817.296	NA	PeJP	NA	NA
+PJ043033	GMMMYW 	C37H51N7O8S3	817.2962	NA	PeJP	NA	NA
+PJ043034	GPEEEEE 	C32H47N7O18	817.2978	NA	PeJP	NA	NA
+PJ043035	ASSEMMY 	C33H51N7O13S2	817.2986	NA	PeJP	NA	NA
+PJ043036	GSTEMMY 	C33H51N7O13S2	817.2987	NA	PeJP	NA	NA
+PJ043037	GNNDDHF 	C33H43N11O14	817.2991	NA	PeJP	NA	NA
+PJ043038	GGGGGDDHF 	C33H43N11O14	817.2992	NA	PeJP	NA	NA
+PJ043039	QMMMMF 	C34H55N7O8S4	817.2995	NA	PeJP	NA	NA
+PJ043040	CNQMHW 	C34H47N11O9S2	817.3	NA	PeJP	NA	NA
+PJ043041	SSNNEMH 	C30H47N11O14S	817.3025	NA	PeJP	NA	NA
+PJ043042	PCCCQKH 	C31H51N11O9S3	817.3034	NA	PeJP	NA	NA
+PJ043043	GCNNHHH 	C31H43N15O10S	817.3038	NA	PeJP	NA	NA
+PJ043044	GGGCNHHH 	C31H43N15O10S	817.3039	NA	PeJP	NA	NA
+PJ043045	SEEMHW 	C35H47N9O12S	817.3065	NA	PeJP	NA	NA
+PJ043046	SSSSSSNY 	C31H47N9O17	817.309	NA	PeJP	NA	NA
+PJ043047	SSCCQKY 	C32H51N9O12S2	817.3099	NA	PeJP	NA	NA
+PJ043048	GSDEHHH 	C32H43N13O13	817.3104	NA	PeJP	NA	NA
+PJ043049	SPCYYW 	C40H47N7O10S	817.3105	NA	PeJP	NA	NA
+PJ043050	CMMMFR 	C33H55N9O7S4	817.3108	NA	PeJP	NA	NA
+PJ043051	CCNHRW 	C33H47N13O8S2	817.3112	NA	PeJP	NA	NA
+PJ043052	SQEEYY 	C36H47N7O15	817.313	NA	PeJP	NA	NA
+PJ043053	PEEEEW 	C36H47N7O15	817.3131	NA	PeJP	NA	NA
+PJ043054	SSCNDHR 	C29H47N13O13S	817.3137	NA	PeJP	NA	NA
+PJ043055	STMMYW 	C37H51N7O10S2	817.3139	NA	PeJP	NA	NA
+PJ043056	SSTTEMY 	C33H51N7O15S	817.3164	NA	PeJP	NA	NA
+PJ043057	DKMMMY 	C34H55N7O10S3	817.3173	NA	PeJP	NA	NA
+PJ043058	GSTCQHW 	C34H47N11O11S	817.3177	NA	PeJP	NA	NA
+PJ043059	GSSNMHW 	C34H47N11O11S	817.3178	NA	PeJP	NA	NA
+PJ043060	ANNDQQE 	C30H47N11O16	817.3202	NA	PeJP	NA	NA
+PJ043061	SPNDDDR 	C30H47N11O16	817.3203	NA	PeJP	NA	NA
+PJ043062	DEMMHR 	C31H51N11O11S2	817.3211	NA	PeJP	NA	NA
+PJ043063	PCEHFW 	C39H47N9O9S	817.3218	NA	PeJP	NA	NA
+PJ043064	GSPNEEW 	C35H47N9O14	817.3243	NA	PeJP	NA	NA
+PJ043065	APPCNMW 	C36H51N9O9S2	817.3251	NA	PeJP	NA	NA
+PJ043066	VDMMHW 	C36H51N9O9S2	817.3252	NA	PeJP	NA	NA
+PJ043067	SDHHHW 	C36H43N13O10	817.3256	NA	PeJP	NA	NA
+PJ043068	GSSSSCKY 	C32H51N9O14S	817.3276	NA	PeJP	NA	NA
+PJ043069	GGAPQEEM 	C32H51N9O14S	817.3277	NA	PeJP	NA	NA
+PJ043070	GTEYYW 	C40H47N7O12	817.3283	NA	PeJP	NA	NA
+PJ043071	SMMMRY 	C33H55N9O9S3	817.3285	NA	PeJP	NA	NA
+PJ043072	QEMHHH 	C33H47N13O10S	817.329	NA	PeJP	NA	NA
+PJ043073	GMMFFW 	C41H51N7O7S2	817.3292	NA	PeJP	NA	NA
+PJ043074	GNNNDER 	C29H47N13O15	817.3315	NA	PeJP	NA	NA
+PJ043075	VNEMYY 	C37H51N7O12S	817.3317	NA	PeJP	NA	NA
+PJ043076	FYYYY 	C45H47N5O10	817.3323	NA	PeJP	NA	NA
+PJ043077	GSCQMHR 	C30H51N13O10S2	817.3324	NA	PeJP	NA	NA
+PJ043078	CQHHFF 	C38H47N11O8S	817.333	NA	PeJP	NA	NA
+3706	NA	YPFGFMG	817.3334	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ043079	SPVEEEE 	C33H51N7O17	817.3342	NA	PeJP	NA	NA
+PJ043080	SSSLMMY 	C34H55N7O12S2	817.335	NA	PeJP	NA	NA
+PJ043081	PPVDEMM 	C34H55N7O12S2	817.3351	NA	PeJP	NA	NA
+PJ043082	SSSSQHW 	C34H47N11O13	817.3355	NA	PeJP	NA	NA
+PJ043083	KMMMMF 	C35H59N7O7S4	817.3359	NA	PeJP	NA	NA
+PJ043084	GPPCCRW 	C35H51N11O8S2	817.3364	NA	PeJP	NA	NA
+PJ043085	GPNDEMR 	C31H51N11O13S	817.3389	NA	PeJP	NA	NA
+PJ043086	SPNEWW 	C39H47N9O11	817.3395	NA	PeJP	NA	NA
+PJ043087	GGGGGGFFY 	C39H47N9O11	817.3396	NA	PeJP	NA	NA
+PJ043088	PCCCKKH 	C32H55N11O8S3	817.3398	NA	PeJP	NA	NA
+PJ043089	CEHHHR 	C32H47N15O9S	817.3402	NA	PeJP	NA	NA
+PJ043090	PQQEMW 	C36H51N9O11S	817.3429	NA	PeJP	NA	NA
+PJ043091	TYYWW 	C44H47N7O9	817.3435	NA	PeJP	NA	NA
+PJ043092	GDFFFW 	C44H47N7O9	817.3436	NA	PeJP	NA	NA
+PJ043093	AMHHHW 	C37H47N13O7S	817.3443	NA	PeJP	NA	NA
+PJ043094	TTTTEEH 	C32H51N9O16	817.3454	NA	PeJP	NA	NA
+PJ043095	SSCCKKY 	C33H55N9O11S2	817.3463	NA	PeJP	NA	NA
+PJ043096	NNNDRW 	C33H47N13O12	817.3467	NA	PeJP	NA	NA
+PJ043097	GGNNDRW 	C33H47N13O12	817.3468	NA	PeJP	NA	NA
+PJ043098	GVMYYW 	C41H51N7O9S	817.3469	NA	PeJP	NA	NA
+PJ043099	NHHHHH 	C34H43N17O8	817.3481	NA	PeJP	NA	NA
+PJ043100	SKEEYY 	C37H51N7O14	817.3494	NA	PeJP	NA	NA
+PJ043101	GPCDDRR 	C30H51N13O12S	817.3501	NA	PeJP	NA	NA
+PJ043102	VQMMFY 	C38H55N7O9S2	817.3503	NA	PeJP	NA	NA
+PJ043103	GNQQWW 	C38H47N11O10	817.3508	NA	PeJP	NA	NA
+PJ043104	TTTTTMY 	C34H55N7O14S	817.3528	NA	PeJP	NA	NA
+PJ043105	PNDMRW 	C35H51N11O10S	817.3541	NA	PeJP	NA	NA
+PJ043106	GGPDMRW 	C35H51N11O10S	817.3542	NA	PeJP	NA	NA
+PJ043107	GSPWWW 	C43H47N9O8	817.3548	NA	PeJP	NA	NA
+PJ043108	QQEEER 	C31H51N11O15	817.3566	NA	PeJP	NA	NA
+PJ043109	GGAAEEER 	C31H51N11O15	817.3567	NA	PeJP	NA	NA
+PJ043110	SPPCQMR 	C32H55N11O10S2	817.3575	NA	PeJP	NA	NA
+PJ043111	MRYYW 	C40H51N9O8S	817.3581	NA	PeJP	NA	NA
+PJ043112	APQMWW 	C40H51N9O8S	817.3582	NA	PeJP	NA	NA
+PJ043113	VQQEEW 	C36H51N9O13	817.3607	NA	PeJP	NA	NA
+PJ043114	TLMMHW 	C37H55N9O8S2	817.3615	NA	PeJP	NA	NA
+PJ043115	TTHHHW 	C37H47N13O9	817.362	NA	PeJP	NA	NA
+PJ043116	STTLEMH 	C33H55N9O13S	817.364	NA	PeJP	NA	NA
+PJ043117	GGAPKEEM 	C33H55N9O13S	817.3641	NA	PeJP	NA	NA
+PJ043118	SSLYYW 	C41H51N7O11	817.3647	NA	PeJP	NA	NA
+PJ043119	GVLMMMH 	C34H59N9O8S3	817.3649	NA	PeJP	NA	NA
+PJ043120	NNMHFR 	C34H51N13O9S	817.3654	NA	PeJP	NA	NA
+PJ043121	NDEERR 	C30H51N13O14	817.3679	NA	PeJP	NA	NA
+PJ043122	TLQMYY 	C38H55N7O11S	817.368	NA	PeJP	NA	NA
+PJ043123	VDKMYY 	C38H55N7O11S	817.3681	NA	PeJP	NA	NA
+PJ043124	SPPCCRR 	C31H55N13O9S2	817.3687	NA	PeJP	NA	NA
+PJ043125	GSCKMHR 	C31H55N13O9S2	817.3688	NA	PeJP	NA	NA
+PJ043126	APCRWW 	C39H51N11O7S	817.3694	NA	PeJP	NA	NA
+PJ043127	GLLEEEE 	C34H55N7O16	817.3706	NA	PeJP	NA	NA
+PJ043128	PPTLEMM 	C35H59N7O11S2	817.3714	NA	PeJP	NA	NA
+PJ043129	AQEERW 	C35H51N11O12	817.3719	NA	PeJP	NA	NA
+PJ043130	PMMHFR 	C36H55N11O7S2	817.3728	NA	PeJP	NA	NA
+PJ043131	GPPHHHH 	C36H47N15O8	817.3733	NA	PeJP	NA	NA
+PJ043132	GPTQEMR 	C32H55N11O12S	817.3753	NA	PeJP	NA	NA
+PJ043133	GLQEWW 	C40H51N9O10	817.3759	NA	PeJP	NA	NA
+PJ043134	LMMMHR 	C33H59N11O7S3	817.3761	NA	PeJP	NA	NA
+PJ043135	TMHHHR 	C33H51N15O8S	817.3766	NA	PeJP	NA	NA
+PJ043136	GSNNDRR 	C29H51N15O13	817.3791	NA	PeJP	NA	NA
+PJ043137	PQKEMW 	C37H55N9O10S	817.3793	NA	PeJP	NA	NA
+PJ043138	GVFFYW 	C45H51N7O8	817.3799	NA	PeJP	NA	NA
+PJ043139	GGPFFFF 	C45H51N7O8	817.38	NA	PeJP	NA	NA
+PJ043140	GVQKEEE 	C33H55N9O15	817.3818	NA	PeJP	NA	NA
+PJ043141	SSLLMMH 	C34H59N9O10S2	817.3827	NA	PeJP	NA	NA
+PJ043142	GDERRW 	C34H51N13O11	817.3831	NA	PeJP	NA	NA
+PJ043143	GGGGGATRW 	C34H51N13O11	817.3832	NA	PeJP	NA	NA
+PJ043144	VQMFFF 	C42H55N7O8S	817.3833	NA	PeJP	NA	NA
+PJ043145	LLEEEW 	C38H55N7O13	817.3858	NA	PeJP	NA	NA
+PJ043146	GSPDMRR 	C31H55N13O11S	817.3865	NA	PeJP	NA	NA
+PJ043147	VKMMFY 	C39H59N7O8S2	817.3867	NA	PeJP	NA	NA
+PJ043148	SSPRWW 	C39H51N11O9	817.3871	NA	PeJP	NA	NA
+PJ043149	AAERWW 	C39H51N11O9	817.3872	NA	PeJP	NA	NA
+PJ043150	SPLLEEM 	C35H59N7O13S	817.3892	NA	PeJP	NA	NA
+PJ043151	PPVLMMM 	C36H63N7O8S3	817.3901	NA	PeJP	NA	NA
+PJ043152	PTQMRW 	C36H55N11O9S	817.3905	NA	PeJP	NA	NA
+PJ043153	LQWWW 	C44H51N9O7	817.3912	NA	PeJP	NA	NA
+PJ043154	QKEEER 	C32H55N11O14	817.393	NA	PeJP	NA	NA
+PJ043155	GGGGADKKE 	C32H55N11O14	817.3931	NA	PeJP	NA	NA
+PJ043156	GPVQMMR 	C33H59N11O9S2	817.3939	NA	PeJP	NA	NA
+PJ043157	GSPQHHR 	C33H51N15O10	817.3944	NA	PeJP	NA	NA
+PJ043158	APKMWW 	C41H55N9O7S	817.3946	NA	PeJP	NA	NA
+PJ043159	LNKEEW 	C37H55N9O12	817.397	NA	PeJP	NA	NA
+PJ043160	VQKEEW 	C37H55N9O12	817.3971	NA	PeJP	NA	NA
+PJ043161	NNQMRR 	C30H55N15O10S	817.3977	NA	PeJP	NA	NA
+PJ043162	GGGGQMRR 	C30H55N15O10S	817.3978	NA	PeJP	NA	NA
+PJ043163	DRRWW 	C38H51N13O8	817.3984	NA	PeJP	NA	NA
+PJ043164	GPKKEEM 	C34H59N9O12S	817.4004	NA	PeJP	NA	NA
+PJ043165	PTKFYY 	C42H55N7O10	817.4011	NA	PeJP	NA	NA
+PJ043166	PTCRRW 	C35H55N13O8S	817.4018	NA	PeJP	NA	NA
+PJ043167	GTTQQQR 	C31H55N13O13	817.4042	NA	PeJP	NA	NA
+PJ043168	TQEERR 	C31H55N13O13	817.4043	NA	PeJP	NA	NA
+PJ043169	TLKMYY 	C39H59N7O10S	817.4044	NA	PeJP	NA	NA
+PJ043170	PPVVEMF 	C39H59N7O10S	817.4045	NA	PeJP	NA	NA
+PJ043171	PQMMRR 	C32H59N13O8S2	817.4051	NA	PeJP	NA	NA
+PJ043172	SVLLEEE 	C35H59N7O15	817.4069	NA	PeJP	NA	NA
+PJ043173	VTLLDEE 	C35H59N7O15	817.407	NA	PeJP	NA	NA
+PJ043174	PVVLEMM 	C36H63N7O10S2	817.4078	NA	PeJP	NA	NA
+PJ043175	AKEERW 	C36H55N11O11	817.4083	NA	PeJP	NA	NA
+PJ043176	CNNRRR 	C29H55N17O9S	817.409	NA	PeJP	NA	NA
+PJ043177	SSPLQMR 	C33H59N11O11S	817.4116	NA	PeJP	NA	NA
+PJ043178	GPTKEMR 	C33H59N11O11S	817.4117	NA	PeJP	NA	NA
+PJ043179	GLKEWW 	C41H55N9O9	817.4123	NA	PeJP	NA	NA
+PJ043180	SDERRR 	C30H55N15O12	817.4155	NA	PeJP	NA	NA
+PJ043181	PKKEMW 	C38H59N9O9S	817.4157	NA	PeJP	NA	NA
+PJ043182	PCMRRR 	C31H59N15O7S2	817.4164	NA	PeJP	NA	NA
+PJ043183	GVKKEEE 	C34H59N9O14	817.4182	NA	PeJP	NA	NA
+PJ043184	APLQKMM 	C35H63N9O9S2	817.419	NA	PeJP	NA	NA
+PJ043185	SPPKKMM 	C35H63N9O9S2	817.4191	NA	PeJP	NA	NA
+PJ043186	ATERRW 	C35H55N13O10	817.4195	NA	PeJP	NA	NA
+PJ043187	VKMFFF 	C43H59N7O7S	817.4197	NA	PeJP	NA	NA
+PJ043188	SPPLLEY 	C39H59N7O12	817.4222	NA	PeJP	NA	NA
+PJ043189	VQEMRR 	C32H59N13O10S	817.4229	NA	PeJP	NA	NA
+PJ043190	GTLRWW 	C40H55N11O8	817.4235	NA	PeJP	NA	NA
+PJ043191	GGGKKWW 	C40H55N11O8	817.4236	NA	PeJP	NA	NA
+PJ043192	ALLLEEM 	C36H63N7O12S	817.4256	NA	PeJP	NA	NA
+PJ043193	PTKMRW 	C37H59N11O8S	817.4269	NA	PeJP	NA	NA
+MJ095376	Pralmorelin 	C45H55N9O6	817.42753	NA	MeJP	NA	NA
+PJ043194	LKWWW 	C45H55N9O6	817.4276	NA	PeJP	NA	NA
+PJ043195	KKEEER 	C33H59N11O13	817.4294	NA	PeJP	NA	NA
+PJ043196	GPVKMMR 	C34H63N11O8S2	817.4303	NA	PeJP	NA	NA
+PJ043197	GSPKHHR 	C34H55N15O9	817.4308	NA	PeJP	NA	NA
+PJ043198	VKKEEW 	C38H59N9O11	817.4334	NA	PeJP	NA	NA
+PJ043199	GGGAAPLLY 	C38H59N9O11	817.4335	NA	PeJP	NA	NA
+PJ043200	AEMRRR 	C31H59N15O9S	817.4341	NA	PeJP	NA	NA
+PJ043201	GPFRRW 	C39H55N13O7	817.4348	NA	PeJP	NA	NA
+PJ043202	SPVKKEM 	C35H63N9O11S	817.4368	NA	PeJP	NA	NA
+MJ095377	Heptamycin B; N-De-Ac, N-propanoyl 	C43H59N7O9	817.437426	NA	MeJP	NA	NA
+PJ043203	VVKFYY 	C43H59N7O9	817.4375	NA	PeJP	NA	NA
+PJ043204	AVMRRW 	C36H59N13O7S	817.4381	NA	PeJP	NA	NA
+PJ043205	GLMRRW 	C36H59N13O7S	817.4382	NA	PeJP	NA	NA
+PJ043206	ASSLERR 	C32H59N13O12	817.4406	NA	PeJP	NA	NA
+PJ043207	TKEERR 	C32H59N13O12	817.4407	NA	PeJP	NA	NA
+PJ043208	PPVVLMY 	C40H63N7O9S	817.4408	NA	PeJP	NA	NA
+PJ043209	PKMMRR 	C33H63N13O7S2	817.4415	NA	PeJP	NA	NA
+PJ043210	VNHHRR 	C33H55N17O8	817.442	NA	PeJP	NA	NA
+PJ043211	TTLLLEE 	C36H63N7O14	817.4433	NA	PeJP	NA	NA
+PJ043212	PTLLLMM 	C37H67N7O9S2	817.4442	NA	PeJP	NA	NA
+PJ043213	SLKERW 	C37H59N11O10	817.4447	NA	PeJP	NA	NA
+PJ043214	AALKEMR 	C34H63N11O10S	817.448	NA	PeJP	NA	NA
+PJ043215	GVVKEMR 	C34H63N11O10S	817.4481	NA	PeJP	NA	NA
+PJ043216	SVLKWW 	C42H59N9O8	817.4487	NA	PeJP	NA	NA
+PJ043217	TTERRR 	C31H59N15O11	817.4519	NA	PeJP	NA	NA
+PJ043218	LLQKMW 	C39H63N9O8S	817.4521	NA	PeJP	NA	NA
+PJ043219	GHHRRR 	C32H55N19O7	817.4532	NA	PeJP	NA	NA
+PJ043220	ATLKKEE 	C35H63N9O13	817.4546	NA	PeJP	NA	NA
+PJ043221	APLKKMM 	C36H67N9O8S2	817.4554	NA	PeJP	NA	NA
+PJ043222	STLRRW 	C36H59N13O9	817.4559	NA	PeJP	NA	NA
+PJ043223	APLLLEY 	C40H63N7O11	817.4586	NA	PeJP	NA	NA
+PJ043224	VKEMRR 	C33H63N13O9S	817.4593	NA	PeJP	NA	NA
+PJ043225	LLLHHW 	C41H59N11O7	817.4599	NA	PeJP	NA	NA
+PJ043226	SLLLLEM 	C37H67N7O11S	817.462	NA	PeJP	NA	NA
+PJ043227	VVKMRW 	C38H63N11O7S	817.4633	NA	PeJP	NA	NA
+PJ043228	ATTLKER 	C34H63N11O12	817.4658	NA	PeJP	NA	NA
+PJ043229	APRRRY 	C35H59N15O8	817.4671	NA	PeJP	NA	NA
+PJ043230	GTTLLKW 	C39H63N9O10	817.4698	NA	PeJP	NA	NA
+PJ043231	SLMRRR 	C32H63N15O8S	817.4705	NA	PeJP	NA	NA
+PJ043232	GLLKKEM 	C36H67N9O10S	817.4732	NA	PeJP	NA	NA
+PJ043233	PPVVLFF 	C44H63N7O8	817.4739	NA	PeJP	NA	NA
+PJ043234	SSSLLRR 	C33H63N13O11	817.477	NA	PeJP	NA	NA
+PJ043235	PVVLLMF 	C41H67N7O8S	817.4772	NA	PeJP	NA	NA
+PJ043236	PPHRRR 	C34H59N17O7	817.4784	NA	PeJP	NA	NA
+PJ043237	VVLLLMM 	C38H71N7O8S2	817.4806	NA	PeJP	NA	NA
+PJ043238	TQKKKW 	C38H63N11O9	817.4811	NA	PeJP	NA	NA
+PJ043239	GTLLKMR 	C35H67N11O9S	817.4844	NA	PeJP	NA	NA
+PJ043240	PLKKFW 	C43H63N9O7	817.4851	NA	PeJP	NA	NA
+PJ043241	GSSKKRR 	C32H63N15O10	817.4883	NA	PeJP	NA	NA
+PJ043242	LLKKMW 	C40H67N9O7S	817.4884	NA	PeJP	NA	NA
+PJ043243	STLLKKE 	C36H67N9O12	817.4909	NA	PeJP	NA	NA
+PJ043244	TTLLDKK 	C36H67N9O12	817.491	NA	PeJP	NA	NA
+PJ043245	PVKRRY 	C37H63N13O8	817.4923	NA	PeJP	NA	NA
+PJ043246	SPLLLLY 	C41H67N7O10	817.495	NA	PeJP	NA	NA
+PJ043247	QKKKMR 	C34H67N13O8S	817.4957	NA	PeJP	NA	NA
+MJ095378	Monensin; Monensin A, 26-O-[(2-Phenylethyl)carbamoyl] 	C45H71NO12	817.497626	NA	MeJP	NA	NA
+PJ043248	STTLLKR 	C35H67N11O11	817.5022	NA	PeJP	NA	NA
+PJ043249	ALFRRR 	C36H63N15O7	817.5035	NA	PeJP	NA	NA
+PJ043250	GPLLKKY 	C40H67N9O9	817.5062	NA	PeJP	NA	NA
+PJ043251	CKKKRR 	C33H67N15O7S	817.5069	NA	PeJP	NA	NA
+PJ043252	SVLLKKM 	C37H71N9O9S	817.5096	NA	PeJP	NA	NA
+PJ043253	GTTKKKR 	C34H67N13O10	817.5134	NA	PeJP	NA	NA
+PJ043254	TKKKKW 	C39H67N11O8	817.5174	NA	PeJP	NA	NA
+MJ095379	Antibiotic 29119 	C42H75NO14	817.518756	NA	MeJP	NA	NA
+PJ043255	GVKKKKM 	C36H71N11O8S	817.5208	NA	PeJP	NA	NA
+PJ043256	VLKFRR 	C38H67N13O7	817.5287	NA	PeJP	NA	NA
+PJ043257	ALLLLLY 	C42H71N7O9	817.5314	NA	PeJP	NA	NA
+PJ043258	KKKKMR 	C35H71N13O7S	817.532	NA	PeJP	NA	NA
+PJ043259	SSLKKKK 	C36H71N11O10	817.5386	NA	PeJP	NA	NA
+PJ043260	GLLLKKF 	C41H71N9O8	817.5426	NA	PeJP	NA	NA
+HMDB09276	PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09307	PE(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09308	PE(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09339	PE(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09372	PE(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09470	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09566	PE(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09595	PE(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09608	PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09627	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09660	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+HMDB09692	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	C47H80NO8P	817.562134	NA	HMDB2010	NA	NA
+EUR1021	PC 40:7 [M-H-CH3]-	C48H82NO8P	817.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1021	PC 40:7 [M-H-CH3]-	C48H82NO8P	817.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1021	PC 40:7 [M-H-CH3]-	C48H82NO8P	817.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1021	PC 40:7 [M-H-CH3]-	C48H82NO8P	817.562157	masses lipides attendues	Inhousejuil11	NA	NA
+EUR698	PC(34:2) [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR948	PC 34:2 [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR698	PC(34:2) [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR948	PC 34:2 [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR698	PC(34:2) [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR948	PC 34:2 [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR698	PC(34:2) [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	Inhousejuil11	NA	NA
+EUR948	PC 34:2 [M-H+acetate]-	C42H80NO8P	817.583257	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08687	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB08688	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(9Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB08720	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB08721	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB08752	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB11262	PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB11293	PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB11294	PC(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB11326	PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB11327	PC(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H84NO7P	817.598511	NA	HMDB2010	NA	NA
+HMDB07893	PC(14:0/24:0)	C46H92NO8P	817.656067	NA	HMDB2010	NA	NA
+HMDB07985	PC(16:0/22:0)	C46H92NO8P	817.656067	NA	HMDB2010	NA	NA
+HMDB08043	PC(18:0/20:0)	C46H92NO8P	817.656067	NA	HMDB2010	NA	NA
+HMDB08267	PC(20:0/18:0)	C46H92NO8P	817.656067	NA	HMDB2010	NA	NA
+HMDB08528	PC(22:0/16:0)	C46H92NO8P	817.656067	NA	HMDB2010	NA	NA
+HMDB08755	PC(24:0/14:0)	C46H92NO8P	817.656067	NA	HMDB2010	NA	NA
+MJ095380	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside 	C46H91NO10	817.664298	NA	MeJP	NA	NA
+MJ095381	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-?-D-glucopyranoside 	C46H91NO10	817.664298	NA	MeJP	NA	NA
+MJ095382	Acanthacerebroside A 	C46H91NO10	817.664298	NA	MeJP	NA	NA
+EUR646	L-Thyroxine [M+Na]+	NA	817.706575	10.19	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR646	L-Thyroxine [M+Na]+	NA	817.706575	10.19	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR646	L-Thyroxine [M+Na]+	NA	817.706575	10.19	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR646	L-Thyroxine [M+Na]+	NA	817.706575	10.19	Inhousejuil11	NA	NA
+MJ095383	Carpinin D; 2,3-Bis(3,4,5-trihydroxybenzoyl) 	C34H26O24	818.081401	NA	MeJP	NA	NA
+PJ043261	GCCCCCNN 	C25H42N10O11S5	818.1638	NA	PeJP	NA	NA
+PJ043262	GGGCCCCCN 	C25H42N10O11S5	818.1639	NA	PeJP	NA	NA
+PJ043263	GSCCCCDE 	C26H42N8O14S4	818.1704	NA	PeJP	NA	NA
+PJ043264	GPCCCCCM 	C27H46N8O9S6	818.1712	NA	PeJP	NA	NA
+PJ043265	SCCCCDW 	C30H42N8O11S4	818.1856	NA	PeJP	NA	NA
+PJ043266	SSSCCCDD 	C26H42N8O16S3	818.1881	NA	PeJP	NA	NA
+PJ043267	CCCNDMM 	C27H46N8O11S5	818.189	NA	PeJP	NA	NA
+PJ043268	CCCCCER 	C26H46N10O10S5	818.2002	NA	PeJP	NA	NA
+PJ043269	CCCNDDF 	C30H42N8O13S3	818.2034	NA	PeJP	NA	NA
+PJ043270	ACCCCMW 	C31H46N8O8S5	818.2042	NA	PeJP	NA	NA
+PJ043271	VCCCCCW 	C31H46N8O8S5	818.2043	NA	PeJP	NA	NA
+PJ043272	ASTCCCCE 	C27H46N8O13S4	818.2067	NA	PeJP	NA	NA
+PJ043273	GSSCCCEM 	C27H46N8O13S4	818.2068	NA	PeJP	NA	NA
+PJ043274	CCCCNHH 	C28H42N12O9S4	818.2081	NA	PeJP	NA	NA
+FL5FAHGL0005	Laricitrin 3,7,5'-triglucoside	C34H42O23	818.21168	89345-42-6	knapsack	NA	NA
+MJ095384	3,4',5,5',7-Pentahydroxy-3'-methoxyflavone; 3,5',7-Tri-O-?-D-glucopyranoside 	C34H42O23	818.211687	NA	MeJP	NA	NA
+MJ095385	3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan 	C45H38O15	818.22107	NA	MeJP	NA	NA
+MJ095386	4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol; 3''''-Deoxy 	C45H38O15	818.22107	NA	MeJP	NA	NA
+MJ095387	4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol; 3'''-Deoxy 	C45H38O15	818.22107	NA	MeJP	NA	NA
+MJ095388	Antibiotic PF 1158C 	C45H38O15	818.22107	NA	MeJP	NA	NA
+PJ043275	SCCNDDY 	C30H42N8O15S2	818.2211	NA	PeJP	NA	NA
+PJ043276	SSCCCMW 	C31H46N8O10S4	818.222	NA	PeJP	NA	NA
+PJ043277	SSSSCCDM 	C27H46N8O15S3	818.2245	NA	PeJP	NA	NA
+PJ043278	SCCNMMM 	C28H50N8O10S5	818.2254	NA	PeJP	NA	NA
+PJ043279	GPPCCCCH 	C30H46N10O9S4	818.2333	NA	PeJP	NA	NA
+PJ043280	TCCCCMR 	C27H50N10O9S5	818.2366	NA	PeJP	NA	NA
+PJ043281	GCCNEMY 	C31H46N8O12S3	818.2398	NA	PeJP	NA	NA
+PJ043282	GSSTCCMM 	C28H50N8O12S4	818.2431	NA	PeJP	NA	NA
+PJ043283	CCNNNDH 	C28H42N12O13S2	818.2436	NA	PeJP	NA	NA
+PJ043284	SCNDDEH 	C29H42N10O16S	818.2501	NA	PeJP	NA	NA
+PJ043285	GCCCDRY 	C30H46N10O11S3	818.251	NA	PeJP	NA	NA
+PJ043286	CCNMYW 	C35H46N8O9S3	818.255	NA	PeJP	NA	NA
+PJ043287	PNDDDDE 	C30H42N8O19	818.2567	NA	PeJP	NA	NA
+PJ043288	SSCNDMY 	C31H46N8O14S2	818.2575	NA	PeJP	NA	NA
+PJ043289	PCCCCKY 	C32H50N8O9S4	818.2584	NA	PeJP	NA	NA
+PJ043290	DDDEYY 	C35H42N6O17	818.2607	NA	PeJP	NA	NA
+PJ043291	SSSSSCMM 	C28H50N8O14S3	818.2609	NA	PeJP	NA	NA
+PJ043292	TCCCKMM 	C29H54N8O9S5	818.2618	NA	PeJP	NA	NA
+PJ043293	DEMMMY 	C33H50N6O12S3	818.2649	NA	PeJP	NA	NA
+PJ043294	GSCDDHW 	C33H42N10O13S	818.2654	NA	PeJP	NA	NA
+PJ043295	APCCCHW 	C34H46N10O8S3	818.2663	NA	PeJP	NA	NA
+PJ043296	GSSSDDDH 	C29H42N10O18	818.2679	NA	PeJP	NA	NA
+PJ043297	GNDDMMH 	C30H46N10O13S2	818.2688	NA	PeJP	NA	NA
+PJ043298	GCCCMFR 	C31H50N10O8S4	818.2696	NA	PeJP	NA	NA
+PJ043299	GPDDDDW 	C34H42N8O16	818.2719	NA	PeJP	NA	NA
+PJ043300	GSTCCYW 	C35H46N8O11S2	818.2728	NA	PeJP	NA	NA
+PJ043301	GSSSSCEY 	C31H46N8O16S	818.2753	NA	PeJP	NA	NA
+PJ043302	GSCQMMY 	C32H50N8O11S3	818.2761	NA	PeJP	NA	NA
+PJ043303	GGGTCMMY 	C32H50N8O11S3	818.2762	NA	PeJP	NA	NA
+PJ043304	NNNNNDD 	C28H42N12O17	818.2791	NA	PeJP	NA	NA
+PJ043305	GGGGGGGGNDD 	C28H42N12O17	818.2792	NA	PeJP	NA	NA
+PJ043306	DDEMFY 	C36H46N6O14S	818.2793	NA	PeJP	NA	NA
+PJ043307	GCCDEHR 	C29H46N12O12S2	818.28	NA	PeJP	NA	NA
+PJ043308	GNDDDHF 	C33H42N10O15	818.2832	NA	PeJP	NA	NA
+PJ043309	EMMMMF 	C34H54N6O9S4	818.2835	NA	PeJP	NA	NA
+PJ043310	CNEMHW 	C34H46N10O10S2	818.284	NA	PeJP	NA	NA
+PJ043311	SSNDEMH 	C30H46N10O15S	818.2865	NA	PeJP	NA	NA
+PJ043312	GSCCMRY 	C31H50N10O10S3	818.2874	NA	PeJP	NA	NA
+PJ043313	GCNDHHH 	C31H42N14O11S	818.2879	NA	PeJP	NA	NA
+PJ043314	CCNFFW 	C39H46N8O8S2	818.288	NA	PeJP	NA	NA
+PJ043315	SSSSCYW 	C35H46N8O13S	818.2905	NA	PeJP	NA	NA
+PJ043316	SSSSSSDY 	C31H46N8O18	818.293	NA	PeJP	NA	NA
+PJ043317	GGSPDEEE 	C31H46N8O18	818.2931	NA	PeJP	NA	NA
+PJ043318	SSSNMMY 	C32H50N8O13S2	818.2939	NA	PeJP	NA	NA
+PJ043319	GCCKMMF 	C33H54N8O8S4	818.2948	NA	PeJP	NA	NA
+PJ043320	CCDHRW 	C33H46N12O9S2	818.2953	NA	PeJP	NA	NA
+PJ043321	SEEEYY 	C36H46N6O16	818.2971	NA	PeJP	NA	NA
+PJ043322	SSCDDHR 	C29H46N12O14S	818.2977	NA	PeJP	NA	NA
+PJ043323	GGGSSTCNH 	C29H46N12O14S	818.2978	NA	PeJP	NA	NA
+PJ043324	PDMMYY 	C37H50N6O11S2	818.2979	NA	PeJP	NA	NA
+PJ043325	PTCCCHR 	C30H50N12O9S3	818.2986	NA	PeJP	NA	NA
+PJ043326	GCMHWW 	C38H46N10O7S2	818.2993	NA	PeJP	NA	NA
+C12386	Premithramycin A3'	C40H50O18	818.2997	NA	KEGG	NA	NA
+PJ043327	GSSDMHW 	C34H46N10O12S	818.3018	NA	PeJP	NA	NA
+PJ043328	SPDDDDR 	C30H46N10O17	818.3043	NA	PeJP	NA	NA
+PJ043329	SSTCCRY 	C31H50N10O12S2	818.3051	NA	PeJP	NA	NA
+PJ043330	GGGTEMMH 	C31H50N10O12S2	818.3052	NA	PeJP	NA	NA
+PJ043331	GCQYYW 	C39H46N8O10S	818.3058	NA	PeJP	NA	NA
+PJ043332	GSPDEEW 	C35H46N8O15	818.3083	NA	PeJP	NA	NA
+PJ043333	GPPCEMW 	C36H50N8O10S2	818.3092	NA	PeJP	NA	NA
+PJ043334	GSSSSTMY 	C32H50N8O15S	818.3117	NA	PeJP	NA	NA
+PJ043335	PDDFYY 	C40H46N6O13	818.3123	NA	PeJP	NA	NA
+PJ043336	GSCKMMY 	C33H54N8O10S3	818.3125	NA	PeJP	NA	NA
+PJ043337	GCNNQHF 	C33H46N12O11S	818.313	NA	PeJP	NA	NA
+PJ043338	GNNDDER 	C29H46N12O16	818.3155	NA	PeJP	NA	NA
+PJ043339	VDEMYY 	C37H50N6O13S	818.3157	NA	PeJP	NA	NA
+PJ043340	GSCEMHR 	C30H50N12O11S2	818.3164	NA	PeJP	NA	NA
+PJ043341	PMMMFY 	C38H54N6O8S3	818.3166	NA	PeJP	NA	NA
+PJ043342	STCHWW 	C38H46N10O9S	818.317	NA	PeJP	NA	NA
+PJ043343	SSSSEHW 	C34H46N10O14	818.3195	NA	PeJP	NA	NA
+PJ043344	GGGGGAEEW 	C34H46N10O14	818.3196	NA	PeJP	NA	NA
+PJ043345	LMMMMY 	C35H58N6O8S4	818.3199	NA	PeJP	NA	NA
+PJ043346	SQMMHW 	C35H50N10O9S2	818.3204	NA	PeJP	NA	NA
+MJ095389	Cephabacin H; Cephabacin H4, N27-(L-Alanyl-L-seryl) 	C31H50N10O14S	818.322867	NA	MeJP	NA	NA
+PJ043347	GPDDEMR 	C31H50N10O14S	818.3229	NA	PeJP	NA	NA
+PJ043348	SSNYYW 	C39H46N8O12	818.3235	NA	PeJP	NA	NA
+PJ043349	SPDEWW 	C39H46N8O12	818.3236	NA	PeJP	NA	NA
+PJ043350	AAQMMMH 	C32H54N10O9S3	818.3238	NA	PeJP	NA	NA
+PJ043351	GSNMHHH 	C32H46N14O10S	818.3242	NA	PeJP	NA	NA
+PJ043352	GGGSMHHH 	C32H46N14O10S	818.3243	NA	PeJP	NA	NA
+PJ043353	PPCMWW 	C40H50N8O7S2	818.3244	NA	PeJP	NA	NA
+PJ043354	PQEEMW 	C36H50N8O12S	818.3269	NA	PeJP	NA	NA
+PJ043355	SSSSSTTY 	C32H50N8O17	818.3294	NA	PeJP	NA	NA
+PJ043356	SSTCKMY 	C33H54N8O12S2	818.3303	NA	PeJP	NA	NA
+PJ043357	NNDDRW 	C33H46N12O13	818.3308	NA	PeJP	NA	NA
+PJ043358	PDMFFY 	C41H50N6O10S	818.3309	NA	PeJP	NA	NA
+PJ043359	SCMHRW 	C34H50N12O8S2	818.3316	NA	PeJP	NA	NA
+PJ043360	DHHHHH 	C34H42N16O9	818.3321	NA	PeJP	NA	NA
+MJ095390	Antibiotic A 201C 	C37H50N6O15	818.333414	NA	MeJP	NA	NA
+PJ043361	SSSDMHR 	C30H50N12O13S	818.3341	NA	PeJP	NA	NA
+PJ043362	GGGGSPCER 	C30H50N12O13S	818.3342	NA	PeJP	NA	NA
+PJ043363	VEMMFY 	C38H54N6O10S2	818.3343	NA	PeJP	NA	NA
+PJ043364	GNQEWW 	C38H46N10O11	818.3348	NA	PeJP	NA	NA
+PJ043365	NMMMHR 	C31H54N12O8S3	818.335	NA	PeJP	NA	NA
+PJ043366	GSTTMHW 	C35H50N10O11S	818.3381	NA	PeJP	NA	NA
+PJ043367	PDDMRW 	C35H50N10O11S	818.3382	NA	PeJP	NA	NA
+PJ043368	ASSSTTEH 	C31H50N10O16	818.3406	NA	PeJP	NA	NA
+PJ043369	QEEEER 	C31H50N10O16	818.3407	NA	PeJP	NA	NA
+PJ043370	SPPCEMR 	C32H54N10O11S2	818.3415	NA	PeJP	NA	NA
+PJ043371	GGGGGGPVMM 	C32H54N10O11S2	818.3416	NA	PeJP	NA	NA
+PJ043372	SSSQHHH 	C32H46N14O12	818.342	NA	PeJP	NA	NA
+PJ043373	APEMWW 	C40H50N8O9S	818.3422	NA	PeJP	NA	NA
+PJ043374	VQEEEW 	C36H50N8O14	818.3447	NA	PeJP	NA	NA
+PJ043375	GNNNNMR 	C29H50N14O12S	818.3454	NA	PeJP	NA	NA
+PJ043376	ASPPMMW 	C37H54N8O9S2	818.3455	NA	PeJP	NA	NA
+PJ043377	GPPTMMW 	C37H54N8O9S2	818.3456	NA	PeJP	NA	NA
+PJ043378	PNEHHW 	C37H46N12O10	818.346	NA	PeJP	NA	NA
+MJ095391	Requinomycin 	C40H54N2O16	818.347333	NA	MeJP	NA	NA
+PJ043379	SPVQEEM 	C33H54N8O14S	818.348	NA	PeJP	NA	NA
+PJ043380	GPKEEEM 	C33H54N8O14S	818.3481	NA	PeJP	NA	NA
+PJ043381	PVDYYY 	C41H50N6O12	818.3487	NA	PeJP	NA	NA
+PJ043382	PPVNMMM 	C34H58N8O9S3	818.3489	NA	PeJP	NA	NA
+PJ043383	GSPCNRW 	C34H50N12O10S	818.3494	NA	PeJP	NA	NA
+PJ043384	PMMFFF 	C42H54N6O7S2	818.3496	NA	PeJP	NA	NA
+PJ043385	NQWWW 	C42H46N10O8	818.35	NA	PeJP	NA	NA
+PJ043386	GGGAWWW 	C42H46N10O8	818.3501	NA	PeJP	NA	NA
+PJ043387	DDEERR 	C30H50N12O15	818.3519	NA	PeJP	NA	NA
+PJ043388	TLEMYY 	C38H54N6O12S	818.3521	NA	PeJP	NA	NA
+PJ043389	GSTMMHR 	C31H54N12O10S2	818.3528	NA	PeJP	NA	NA
+PJ043390	LMMMFF 	C39H58N6O7S3	818.3529	NA	PeJP	NA	NA
+PJ043391	AQMHFW 	C39H50N10O8S	818.3534	NA	PeJP	NA	NA
+PJ043392	AEEERW 	C35H50N10O13	818.3559	NA	PeJP	NA	NA
+PJ043393	SKMMHW 	C36H54N10O8S2	818.3568	NA	PeJP	NA	NA
+PJ043394	NQHHHF 	C36H46N14O9	818.3573	NA	PeJP	NA	NA
+PJ043395	GPTEEMR 	C32H54N10O13S	818.3593	NA	PeJP	NA	NA
+PJ043396	GLEEWW 	C40H50N8O11	818.3599	NA	PeJP	NA	NA
+PJ043397	GPPMMMR 	C33H58N10O8S3	818.3602	NA	PeJP	NA	NA
+PJ043398	GTCKHHH 	C33H50N14O9S	818.3606	NA	PeJP	NA	NA
+PJ043399	GPHHWW 	C41H46N12O7	818.3613	NA	PeJP	NA	NA
+PJ043400	GSNDDRR 	C29H50N14O14	818.3631	NA	PeJP	NA	NA
+PJ043401	GGGGGGGGSTR 	C29H50N14O14	818.3632	NA	PeJP	NA	NA
+PJ043402	PKEEMW 	C37H54N8O11S	818.3633	NA	PeJP	NA	NA
+PJ043403	GPCCQRR 	C30H54N14O9S2	818.364	NA	PeJP	NA	NA
+PJ043404	ACHFRW 	C38H50N12O7S	818.3647	NA	PeJP	NA	NA
+PJ043405	GVKEEEE 	C33H54N8O16	818.3658	NA	PeJP	NA	NA
+PJ043406	SPPKEMM 	C34H58N8O11S2	818.3667	NA	PeJP	NA	NA
+PJ043407	SNQERW 	C34H50N12O12	818.3671	NA	PeJP	NA	NA
+PJ043408	GGSQERW 	C34H50N12O12	818.3672	NA	PeJP	NA	NA
+PJ043409	PVMFYY 	C42H54N6O9S	818.3673	NA	PeJP	NA	NA
+PJ043410	SSTTMHR 	C31H54N12O12S	818.3705	NA	PeJP	NA	NA
+PJ043411	GGGGGGGAAKM 	C31H54N12O12S	818.3706	NA	PeJP	NA	NA
+PJ043412	VLMMYY 	C39H58N6O9S2	818.3707	NA	PeJP	NA	NA
+PJ043413	GNKEWW 	C39H50N10O10	818.3712	NA	PeJP	NA	NA
+PJ043414	PTEMRW 	C36H54N10O10S	818.3745	NA	PeJP	NA	NA
+PJ043415	GGGSPKMW 	C36H54N10O10S	818.3746	NA	PeJP	NA	NA
+PJ043416	LEWWW 	C44H50N8O8	818.3752	NA	PeJP	NA	NA
+MJ095392	22,23-Epoxyergost-9(11)-ene-3,6-diol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 6-sulfate 	C39H62O16S	818.375856	NA	MeJP	NA	NA
+PJ043417	KEEEER 	C32H54N10O15	818.377	NA	PeJP	NA	NA
+PJ043418	GGGDKKEE 	C32H54N10O15	818.3771	NA	PeJP	NA	NA
+PJ043419	GPVEMMR 	C33H58N10O10S2	818.3779	NA	PeJP	NA	NA
+PJ043420	GSPEHHR 	C33H50N14O11	818.3784	NA	PeJP	NA	NA
+PJ043421	SPLMWW 	C41H54N8O8S	818.3786	NA	PeJP	NA	NA
+PJ043422	ASSTKYY 	C37H54N8O13	818.381	NA	PeJP	NA	NA
+PJ043423	VKEEEW 	C37H54N8O13	818.3811	NA	PeJP	NA	NA
+PJ043424	ACNNNKR 	C30H54N14O11S	818.3817	NA	PeJP	NA	NA
+PJ043425	NNEMRR 	C30H54N14O11S	818.3818	NA	PeJP	NA	NA
+PJ043426	AAPLMMW 	C38H58N8O8S2	818.3819	NA	PeJP	NA	NA
+PJ043427	GSQRWW 	C38H50N12O9	818.3824	NA	PeJP	NA	NA
+PJ043428	SPVKEEM 	C34H58N8O13S	818.3844	NA	PeJP	NA	NA
+PJ043429	GGALLEEM 	C34H58N8O13S	818.3845	NA	PeJP	NA	NA
+PJ043430	PTLYYY 	C42H54N6O11	818.3851	NA	PeJP	NA	NA
+PJ043431	PPCLKMM 	C35H62N8O8S3	818.3853	NA	PeJP	NA	NA
+PJ043432	AQQMRW 	C35H54N12O9S	818.3858	NA	PeJP	NA	NA
+PJ043433	NKWWW 	C43H50N10O7	818.3864	NA	PeJP	NA	NA
+PJ043434	TEEERR 	C31H54N12O14	818.3883	NA	PeJP	NA	NA
+PJ043435	APCNKMR 	C32H58N12O9S2	818.3891	NA	PeJP	NA	NA
+PJ043436	PEMMRR 	C32H58N12O9S2	818.3892	NA	PeJP	NA	NA
+PJ043437	NQQHHR 	C32H50N16O10	818.3896	NA	PeJP	NA	NA
+PJ043438	AKMHFW 	C40H54N10O7S	818.3898	NA	PeJP	NA	NA
+PJ043439	SLEERW 	C36H54N10O12	818.3923	NA	PeJP	NA	NA
+PJ043440	CNDRRR 	C29H54N16O10S	818.393	NA	PeJP	NA	NA
+PJ043441	PVMMRW 	C37H58N10O7S2	818.3932	NA	PeJP	NA	NA
+PJ043442	SPHHRW 	C37H50N14O8	818.3936	NA	PeJP	NA	NA
+MJ095393	Isohumbertiol, 9,10-Didehydro, O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C39H62O18	818.393615	NA	MeJP	NA	NA
+PJ043443	GGKHHHF 	C37H50N14O8	818.3937	NA	PeJP	NA	NA
+PJ043444	AALEEMR 	C33H58N10O12S	818.3957	NA	PeJP	NA	NA
+PJ043445	SVLEWW 	C41H54N8O10	818.3963	NA	PeJP	NA	NA
+PJ043446	GNMRRW 	C34H54N14O8S	818.397	NA	PeJP	NA	NA
+PJ043447	GSSQERR 	C30H54N14O13	818.3995	NA	PeJP	NA	NA
+PJ043448	LLQEMW 	C38H58N8O10S	818.3997	NA	PeJP	NA	NA
+PJ043449	PVFFFY 	C46H54N6O8	818.4003	NA	PeJP	NA	NA
+PJ043450	GPCCKRR 	C31H58N14O8S2	818.4004	NA	PeJP	NA	NA
+PJ043451	ATLKEEE 	C34H58N8O15	818.4022	NA	PeJP	NA	NA
+PJ043452	APLKEMM 	C35H62N8O10S2	818.4031	NA	PeJP	NA	NA
+PJ043453	SNKERW 	C35H54N12O11	818.4035	NA	PeJP	NA	NA
+PJ043454	GGGGGPVRY 	C35H54N12O11	818.4036	NA	PeJP	NA	NA
+PJ043455	VLMFFY 	C43H58N6O8S	818.4037	NA	PeJP	NA	NA
+PJ043456	VEEMRR 	C32H58N12O11S	818.4069	NA	PeJP	NA	NA
+PJ043457	ATQKWW 	C40H54N10O9	818.4075	NA	PeJP	NA	NA
+PJ043458	GDKKWW 	C40H54N10O9	818.4076	NA	PeJP	NA	NA
+MJ095394	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 3-O-(3,4,5-Trihydroxybenzoyl), ?-D-glucopyranosyl ester 	C43H62O15	818.408871	NA	MeJP	NA	NA
+MJ095395	2,3,6,23-Tetrahydroxy-20(29)-lupen-28-oic acid, 23-(3,4,5-Trihydroxybenzoyl), 28-O-?-D-glucopyranosyl ester 	C43H62O15	818.408871	NA	MeJP	NA	NA
+PJ043459	VVEMRW 	C37H58N10O9S	818.4109	NA	PeJP	NA	NA
+PJ043460	APLFWW 	C45H54N8O7	818.4116	NA	PeJP	NA	NA
+PJ043461	ATTLEER 	C33H58N10O14	818.4134	NA	PeJP	NA	NA
+PJ043462	APTLMMR 	C34H62N10O9S2	818.4143	NA	PeJP	NA	NA
+PJ043463	SSQRRW 	C34H54N14O10	818.4148	NA	PeJP	NA	NA
+PJ043464	ALLMWW 	C42H58N8O7S	818.415	NA	PeJP	NA	NA
+MJ095396	N-Deacyltunicamycin; 5,6-Dihydro, N4''-(12-methyl-2-tridecenoyl) 	C37H62N4O16	818.416081	NA	MeJP	NA	NA
+PJ043465	GTTLLEW 	C38H58N8O12	818.4174	NA	PeJP	NA	NA
+PJ043466	GPLLQEY 	C38H58N8O12	818.4175	NA	PeJP	NA	NA
+PJ043467	NDKMRR 	C31H58N14O10S	818.4181	NA	PeJP	NA	NA
+PJ043468	GGDKMRR 	C31H58N14O10S	818.4182	NA	PeJP	NA	NA
+PJ043469	GSKRWW 	C39H54N12O8	818.4188	NA	PeJP	NA	NA
+PJ043470	GLLKEEM 	C35H62N8O12S	818.4208	NA	PeJP	NA	NA
+PJ043471	VVLYYY 	C43H58N6O10	818.4215	NA	PeJP	NA	NA
+PJ043472	AQKMRW 	C36H58N12O8S	818.4222	NA	PeJP	NA	NA
+PJ043473	SSTLQQR 	C32H58N12O13	818.4246	NA	PeJP	NA	NA
+PJ043474	GSDKKER 	C32H58N12O13	818.4247	NA	PeJP	NA	NA
+8270	f(139-146) of bovine kappa casein	VESTVATL	818.425	Proteotypic phospho-amino acids  ;SYN:3-O-Phosphoserine; Dexfosfoserine; Fosforina; L-3-Phosphoserine; L-O-Phosphoserine; L-O-Serine phosphate; L-Phosphoserine; L-Serine dihydrogen phosphate (ester); L-Serine phosphate; L-Serinephosphorate; L-Serinephosphoric acid; L-Seryl phosphateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ043475	GPCKKMR 	C33H62N12O8S2	818.4255	NA	PeJP	NA	NA
+PJ043476	VDHHRR 	C33H54N16O9	818.426	NA	PeJP	NA	NA
+MJ095397	Aplasmomycin; 9-Ac 	C42H62BO15(-)	818.426001	NA	MeJP	NA	NA
+PJ043477	TQKKEW 	C37H58N10O11	818.4287	NA	PeJP	NA	NA
+PJ043478	SNMRRR 	C30H58N16O9S	818.4294	NA	PeJP	NA	NA
+MJ095398	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-?-D-glucopyranoside 	C40H66O17	818.43	NA	MeJP	NA	NA
+MJ095399	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C40H66O17	818.43	NA	MeJP	NA	NA
+MJ095400	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitalopyranoside], 20-O-?-D-glucopyranoside 	C40H66O17	818.43	NA	MeJP	NA	NA
+MJ095401	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C40H66O17	818.43	NA	MeJP	NA	NA
+PJ043479	ALHHRW 	C38H54N14O7	818.43	NA	PeJP	NA	NA
+PJ043480	PTTTLMR 	C34H62N10O11S	818.432	NA	PeJP	NA	NA
+PJ043481	GTLLEMR 	C34H62N10O11S	818.4321	NA	PeJP	NA	NA
+PJ043482	TTLLWW 	C42H58N8O9	818.4327	NA	PeJP	NA	NA
+PJ043483	ACKRRW 	C35H58N14O7S	818.4334	NA	PeJP	NA	NA
+PJ043484	GSSKERR 	C31H58N14O12	818.4359	NA	PeJP	NA	NA
+PJ043485	LLKEMW 	C39H62N8O9S	818.4361	NA	PeJP	NA	NA
+PJ043486	VLFFFF 	C47H58N6O7	818.4367	NA	PeJP	NA	NA
+PJ043487	STLLKEE 	C35H62N8O14	818.4386	NA	PeJP	NA	NA
+PJ043488	SPLLKMM 	C36H66N8O9S2	818.4394	NA	PeJP	NA	NA
+PJ043489	PVTLKMM 	C36H66N8O9S2	818.4395	NA	PeJP	NA	NA
+PJ043490	SDKKRW 	C36H58N12O10	818.4399	NA	PeJP	NA	NA
+PJ043491	QKKEMR 	C33H62N12O10S	818.4433	NA	PeJP	NA	NA
+PJ043492	ATKKWW 	C41H58N10O8	818.4439	NA	PeJP	NA	NA
+PJ043493	GGPKKFW 	C41H58N10O8	818.444	NA	PeJP	NA	NA
+MJ095402	Cryptoporic acid G; 15-Deoxy 	C44H66O14	818.445256	NA	MeJP	NA	NA
+MJ095403	Noboritomycin B 	C44H66O14	818.445256	NA	MeJP	NA	NA
+PJ043494	GSSTRRR 	C30H58N16O11	818.4471	NA	PeJP	NA	NA
+PJ043495	TLLMRW 	C38H62N10O8S	818.4473	NA	PeJP	NA	NA
+PJ043496	STTLLER 	C34H62N10O13	818.4498	NA	PeJP	NA	NA
+PJ043497	GVLLMMR 	C35H66N10O8S2	818.4507	NA	PeJP	NA	NA
+PJ043498	SSKRRW 	C35H58N14O9	818.4512	NA	PeJP	NA	NA
+PJ043499	SSTLLLW 	C39H62N8O11	818.4538	NA	PeJP	NA	NA
+PJ043500	GGALLLEF 	C39H62N8O11	818.4539	NA	PeJP	NA	NA
+PJ043501	TQKMRR 	C32H62N14O9S	818.4545	NA	PeJP	NA	NA
+PJ043502	VLKHHW 	C40H58N12O7	818.4552	NA	PeJP	NA	NA
+PJ043503	SVLLKEM 	C36H66N8O11S	818.4572	NA	PeJP	NA	NA
+PJ043504	AKKMRW 	C37H62N12O7S	818.4585	NA	PeJP	NA	NA
+PJ043505	VCKKRW 	C37H62N12O7S	818.4586	NA	PeJP	NA	NA
+PJ043506	GTTKKER 	C33H62N12O12	818.461	NA	PeJP	NA	NA
+PJ043507	GGSTTLKR 	C33H62N12O12	818.4611	NA	PeJP	NA	NA
+PJ043508	LLMMRR 	C34H66N12O7S2	818.4619	NA	PeJP	NA	NA
+PJ043509	GQFRRR 	C34H58N16O8	818.4624	NA	PeJP	NA	NA
+PJ043510	TKKKEW 	C38H62N10O10	818.4651	NA	PeJP	NA	NA
+PJ043511	TCKRRR 	C31H62N16O8S	818.4658	NA	PeJP	NA	NA
+PJ043512	SSLLLMR 	C35H66N10O10S	818.4684	NA	PeJP	NA	NA
+PJ043513	GLDKKKM 	C35H66N10O10S	818.4685	NA	PeJP	NA	NA
+PJ043514	PLLKYW 	C43H62N8O8	818.4691	NA	PeJP	NA	NA
+PJ043515	GTTTKRR 	C32H62N14O11	818.4723	NA	PeJP	NA	NA
+PJ043516	APLLKMF 	C40H66N8O8S	818.4725	NA	PeJP	NA	NA
+PJ043517	SSSSLLLL 	C36H66N8O13	818.475	NA	PeJP	NA	NA
+PJ043518	ALLLKMM 	C37H70N8O8S2	818.4758	NA	PeJP	NA	NA
+PJ043519	TTKKRW 	C37H62N12O9	818.4763	NA	PeJP	NA	NA
+PJ043520	KKKEMR 	C34H66N12O9S	818.4797	NA	PeJP	NA	NA
+PJ043521	VVLFRW 	C42H62N10O7	818.4803	NA	PeJP	NA	NA
+MJ095404	Okadaic acid; 35(R)-Methyl 	C45H70O13	818.481642	NA	MeJP	NA	NA
+PJ043522	VKKKMW 	C39H66N10O7S	818.4837	NA	PeJP	NA	NA
+PJ043523	SSLKKKE 	C35H66N10O12	818.4862	NA	PeJP	NA	NA
+3366	ACE inhibitor	FQKVVAK	818.487	celiac toxic	Inhouse_peptide	NA	peptide
+PJ043524	VNKFRR 	C36H62N14O8	818.4875	NA	PeJP	NA	NA
+PJ043525	GGVKFRR 	C36H62N14O8	818.4876	NA	PeJP	NA	NA
+28	Hemoglobin	FQKVVAK	818.49	celiac toxic	Inhouse_peptide	NA	peptide
+MJ095405	Enterococcus faecalis Sex pheromone cAD1 	C40H66N8O10	818.49019	NA	MeJP	NA	NA
+PJ043526	SPVLLKY 	C40H66N8O10	818.4902	NA	PeJP	NA	NA
+PJ043527	TKKMRR 	C33H66N14O8S	818.4909	NA	PeJP	NA	NA
+PJ043528	TTLLLKM 	C37H70N8O10S	818.4936	NA	PeJP	NA	NA
+PJ043529	SSTLKKR 	C34H66N12O11	818.4974	NA	PeJP	NA	NA
+PJ043530	GKFRRR 	C35H62N16O7	818.4988	NA	PeJP	NA	NA
+PJ043531	AALLLRY 	C39H66N10O9	818.5015	NA	PeJP	NA	NA
+MJ095406	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-(6-O-Acetyl-?-D-mannopyranoside), D-arabinitol-1-yl ester 	C42H74O15	818.502771	NA	MeJP	NA	NA
+MJ095407	Roselipin 1A; 2',4'-Diepimer, 6''-Ac 	C42H74O15	818.502771	NA	MeJP	NA	NA
+MJ095408	Roselipin 1A; 6''-Ac 	C42H74O15	818.502771	NA	MeJP	NA	NA
+PJ043532	ATLKKKM 	C36H70N10O9S	818.5048	NA	PeJP	NA	NA
+PJ043533	LLLKFW 	C44H66N8O7	818.5055	NA	PeJP	NA	NA
+HMDB10659	PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H75O10P	818.509766	NA	HMDB2010	NA	NA
+HMDB10672	PG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C46H75O10P	818.509766	NA	HMDB2010	NA	NA
+HMDB10673	PG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C46H75O10P	818.509766	NA	HMDB2010	NA	NA
+HMDB10687	PG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C46H75O10P	818.509766	NA	HMDB2010	NA	NA
+HMDB10688	PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C46H75O10P	818.509766	NA	HMDB2010	NA	NA
+PJ043534	VLLRRY 	C38H66N12O8	818.5127	NA	PeJP	NA	NA
+PJ043535	GCKKKKK 	C35H70N12O8S	818.5161	NA	PeJP	NA	NA
+MJ095409	44-Homooligomycin A; 28-Oxo 	C46H74O12	818.518027	NA	MeJP	NA	NA
+PJ043536	TTTLKKK 	C36H70N10O11	818.5226	NA	PeJP	NA	NA
+PJ043537	GLLLLKY 	C41H70N8O9	818.5266	NA	PeJP	NA	NA
+PJ043538	GVLKKKF 	C40H70N10O8	818.5378	NA	PeJP	NA	NA
+PJ043539	LKKKFR 	C39H70N12O7	818.5491	NA	PeJP	NA	NA
+C16148	Staphyloxanthin	C51H78O8	818.5697	NA	KEGG	NA	NA
+C04218	alpha,alpha'-Trehalose 6-mycolate	C44H82O13	818.5755	NA	KEGG	NA	NA
+MJ095410	?,?-Trehalose; 6,6'-Dihexadecanoyl 	C44H82O13	818.575542	NA	MeJP	NA	NA
+MJ095411	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-octadecanoyl 	C52H82O7	818.606054	NA	MeJP	NA	NA
+EUR1093	SM(d18:1/20:0) [M-H+acetate]-	C43H87N2O6P	818.651276	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1093	SM(d18:1/20:0) [M-H+acetate]-	C43H87N2O6P	818.651276	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1093	SM(d18:1/20:0) [M-H+acetate]-	C43H87N2O6P	818.651276	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1093	SM(d18:1/20:0) [M-H+acetate]-	C43H87N2O6P	818.651276	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095412	2-Decaprenyl-6-methoxy-1,4-benzoquinone 	C57H86O3	818.657696	NA	MeJP	NA	NA
+HMDB06251	3-Decaprenyl-4-hydroxybenzoate	C57H86O3	818.65771	http://www.hmdb.ca/metabolites/HMDB06251	HMDB	NA	NA
+HMDB06251	3-Decaprenyl-4-hydroxybenzoate	C57H86O3	818.65771	HMDB06251	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06251	3-Decaprenyl-4-hydroxybenzoic acid	C57H86O3	818.657715	NA	HMDB2010	NA	NA
+MJ095413	Etiroxate 	C18H17I4NO4	818.733631	NA	MeJP	NA	NA
+HMDB11705	TG(15:0/18:1(9Z)/16:0)[iso6]	C52H98O6	818.736328	NA	HMDB2010	NA	NA
+HMDB11712	TG(15:0/20:0/14:1(9Z))[iso6]	C52H98O6	818.736328	NA	HMDB2010	NA	NA
+HMDB11713	TG(15:0/20:1(11Z)/14:0)[iso6]	C52H98O6	818.736328	NA	HMDB2010	NA	NA
+MJ095414	20(29)-Lupen-3-ol, Heptacosanoyl 	C57H102O2	818.787982	NA	MeJP	NA	NA
+MJ095415	Euphorbol; O-Hexacosanoyl 	C57H102O2	818.787982	NA	MeJP	NA	NA
+PJ043540	GCCCCCND 	C25H41N9O12S5	819.1479	NA	PeJP	NA	NA
+PJ043541	CCCDDMM 	C27H45N7O12S5	819.173	NA	PeJP	NA	NA
+PJ043542	GSCCCCNM 	C26H45N9O11S5	819.1842	NA	PeJP	NA	NA
+PJ043543	GGGSCCCCM 	C26H45N9O11S5	819.1843	NA	PeJP	NA	NA
+PJ043544	CCCDDDF 	C30H41N7O14S3	819.1874	NA	PeJP	NA	NA
+MJ095416	L-erythro-3-Methylmalyl-CoA 	C26H43N7O17P2S	819.191136	NA	MeJP	NA	NA
+PJ043545	CCCCDHH 	C28H41N11O10S4	819.1921	NA	PeJP	NA	NA
+PJ043546	SSSCCCCQ 	C26H45N9O13S4	819.202	NA	PeJP	NA	NA
+PJ043547	SCCDDDY 	C30H41N7O16S2	819.2051	NA	PeJP	NA	NA
+PJ043548	PCCCCEY 	C31H45N7O11S4	819.206	NA	PeJP	NA	NA
+PJ043549	SCCDMMM 	C28H49N7O11S5	819.2094	NA	PeJP	NA	NA
+PJ043550	CCCCNQF 	C30H45N9O10S4	819.2173	NA	PeJP	NA	NA
+PJ043551	GSSSSSCCC 	C26H45N9O15S3	819.2198	NA	PeJP	NA	NA
+PJ043552	GTCCCCCK 	C27H49N9O10S5	819.2206	NA	PeJP	NA	NA
+PJ043553	GCCDEMY 	C31H45N7O13S3	819.2238	NA	PeJP	NA	NA
+PJ043554	CCNNDDH 	C28H41N11O14S2	819.2276	NA	PeJP	NA	NA
+PJ043555	ACCMMMM 	C29H53N7O8S6	819.228	NA	PeJP	NA	NA
+PJ043556	SCCCMHH 	C29H45N11O9S4	819.2285	NA	PeJP	NA	NA
+PJ043557	SCDDDEH 	C29H41N9O17S	819.2341	NA	PeJP	NA	NA
+PJ043558	TCDDDDH 	C29H41N9O17S	819.2342	NA	PeJP	NA	NA
+PJ043559	SCCCNQY 	C30H45N9O12S3	819.235	NA	PeJP	NA	NA
+PJ043560	SSSCCCCK 	C27H49N9O12S4	819.2384	NA	PeJP	NA	NA
+PJ043561	CCDMYW 	C35H45N7O10S3	819.239	NA	PeJP	NA	NA
+PJ043562	PDDDDDE 	C30H41N7O20	819.2407	NA	PeJP	NA	NA
+PJ043563	SSCDDMY 	C31H45N7O15S2	819.2415	NA	PeJP	NA	NA
+PJ043564	PTCCCMY 	C32H49N7O10S4	819.2424	NA	PeJP	NA	NA
+PJ043565	SSCMMMM 	C29H53N7O10S5	819.2458	NA	PeJP	NA	NA
+PJ043566	GSPCCCNH 	C29H45N11O11S3	819.2463	NA	PeJP	NA	NA
+PJ043567	GSSSCCNY 	C30H45N9O14S2	819.2528	NA	PeJP	NA	NA
+PJ043568	CCCCNKF 	C31H49N9O9S4	819.2536	NA	PeJP	NA	NA
+PJ043569	GGCCCCKF 	C31H49N9O9S4	819.2537	NA	PeJP	NA	NA
+PJ043570	GPCCDYY 	C35H45N7O12S2	819.2568	NA	PeJP	NA	NA
+PJ043571	CCMMFW 	C36H49N7O7S4	819.2577	NA	PeJP	NA	NA
+PJ043572	GSCEMMY 	C32H49N7O12S3	819.2602	NA	PeJP	NA	NA
+PJ043573	ACCCHHF 	C33H45N11O8S3	819.2615	NA	PeJP	NA	NA
+PJ043574	NNNNDDD 	C28H41N11O18	819.2631	NA	PeJP	NA	NA
+PJ043575	GGGGNNDDD 	C28H41N11O18	819.2632	NA	PeJP	NA	NA
+PJ043576	SCNNDMH 	C29H45N11O13S2	819.264	NA	PeJP	NA	NA
+PJ043577	GDDDDHF 	C33H41N9O16	819.2672	NA	PeJP	NA	NA
+PJ043578	CDEMHW 	C34H45N9O11S2	819.268	NA	PeJP	NA	NA
+PJ043579	SSDDEMH 	C30H45N9O16S	819.2705	NA	PeJP	NA	NA
+PJ043580	GGGGPDDDM 	C30H45N9O16S	819.2706	NA	PeJP	NA	NA
+PJ043581	SCCCNKY 	C31H49N9O11S3	819.2714	NA	PeJP	NA	NA
+PJ043582	GCDDHHH 	C31H41N13O12S	819.2719	NA	PeJP	NA	NA
+PJ043583	CCDFFW 	C39H45N7O9S2	819.2721	NA	PeJP	NA	NA
+PJ043584	NDDMYY 	C35H45N7O14S	819.2745	NA	PeJP	NA	NA
+PJ043585	GGDDMYY 	C35H45N7O14S	819.2746	NA	PeJP	NA	NA
+PJ043586	SCMMYW 	C36H49N7O9S3	819.2754	NA	PeJP	NA	NA
+PJ043587	SPDDEEE 	C31H45N7O19	819.2771	NA	PeJP	NA	NA
+PJ043588	SSSDMMY 	C32H49N7O14S2	819.2779	NA	PeJP	NA	NA
+PJ043589	NMMMMY 	C33H53N7O9S4	819.2788	NA	PeJP	NA	NA
+PJ043590	GSCCQHW 	C33H45N11O10S2	819.2793	NA	PeJP	NA	NA
+PJ043591	GSSSCNEH 	C29H45N11O15S	819.2818	NA	PeJP	NA	NA
+PJ043592	GCNQMMH 	C30H49N11O10S3	819.2826	NA	PeJP	NA	NA
+PJ043593	GGGGACMMH 	C30H49N11O10S3	819.2827	NA	PeJP	NA	NA
+PJ043594	GPCNDEW 	C34H45N9O13S	819.2858	NA	PeJP	NA	NA
+PJ043595	GNNEEEE 	C30H45N9O18	819.2883	NA	PeJP	NA	NA
+PJ043596	GSEEMMH 	C31H49N9O13S2	819.2892	NA	PeJP	NA	NA
+PJ043597	GCEYYW 	C39H45N7O11S	819.2898	NA	PeJP	NA	NA
+PJ043598	APCMMMH 	C32H53N9O8S4	819.29	NA	PeJP	NA	NA
+PJ043599	SPCCHHH 	C32H45N13O9S2	819.2905	NA	PeJP	NA	NA
+PJ043600	GSSDEYY 	C35H45N7O16	819.2923	NA	PeJP	NA	NA
+PJ043601	CNNNNNQ 	C28H45N13O14S	819.293	NA	PeJP	NA	NA
+PJ043602	GSPCMYY 	C36H49N7O11S2	819.2932	NA	PeJP	NA	NA
+PJ043603	GCCNMHR 	C29H49N13O9S3	819.2939	NA	PeJP	NA	NA
+PJ043604	GPEEEEM 	C32H49N7O16S	819.2957	NA	PeJP	NA	NA
+PJ043605	GSTMMMY 	C33H53N7O11S3	819.2965	NA	PeJP	NA	NA
+PJ043606	SSSCNHW 	C33H45N11O12S	819.297	NA	PeJP	NA	NA
+PJ043607	GNDDDER 	C29H45N11O17	819.2995	NA	PeJP	NA	NA
+PJ043608	GGGGGGGGSEE 	C29H45N11O17	819.2996	NA	PeJP	NA	NA
+PJ043609	SSNNMMH 	C30H49N11O12S2	819.3004	NA	PeJP	NA	NA
+PJ043610	PCNDWW 	C38H45N9O10S	819.301	NA	PeJP	NA	NA
+PJ043611	GGPCDWW 	C38H45N9O10S	819.3011	NA	PeJP	NA	NA
+PJ043612	NNEEEW 	C34H45N9O15	819.3035	NA	PeJP	NA	NA
+PJ043613	GGNEEEW 	C34H45N9O15	819.3036	NA	PeJP	NA	NA
+PJ043614	SEMMHW 	C35H49N9O10S2	819.3044	NA	PeJP	NA	NA
+PJ043615	CYYWW 	C43H45N7O8S	819.305	NA	PeJP	NA	NA
+PJ043616	SSTEEMH 	C31H49N9O15S	819.3069	NA	PeJP	NA	NA
+PJ043617	SSDYYW 	C39H45N7O13	819.3076	NA	PeJP	NA	NA
+PJ043618	AAEMMMH 	C32H53N9O10S3	819.3078	NA	PeJP	NA	NA
+PJ043619	GSDMHHH 	C32H45N13O11S	819.3083	NA	PeJP	NA	NA
+PJ043620	ACMFYW 	C40H49N7O8S2	819.3084	NA	PeJP	NA	NA
+PJ043621	GSSNNNNN 	C28H45N13O16	819.3107	NA	PeJP	NA	NA
+PJ043622	GGGSSNNNN 	C28H45N13O16	819.3108	NA	PeJP	NA	NA
+PJ043623	PEEEMW 	C36H49N7O13S	819.3109	NA	PeJP	NA	NA
+PJ043624	SSCCQHR 	C29H49N13O11S2	819.3116	NA	PeJP	NA	NA
+PJ043625	GGGGGGPCCR 	C29H49N13O11S2	819.3117	NA	PeJP	NA	NA
+PJ043626	NMMMFF 	C37H53N7O8S3	819.3118	NA	PeJP	NA	NA
+PJ043627	CNNHFW 	C37H45N11O9S	819.3123	NA	PeJP	NA	NA
+PJ043628	GVEEEEE 	C32H49N7O18	819.3134	NA	PeJP	NA	NA
+PJ043629	SSTTMMY 	C33H53N7O13S2	819.3143	NA	PeJP	NA	NA
+PJ043630	NDDDRW 	C33H45N11O14	819.3148	NA	PeJP	NA	NA
+PJ043631	GSCCKHW 	C34H49N11O9S2	819.3157	NA	PeJP	NA	NA
+PJ043632	SPCNDER 	C30H49N11O14S	819.3181	NA	PeJP	NA	NA
+PJ043633	GGSPCDER 	C30H49N11O14S	819.3182	NA	PeJP	NA	NA
+PJ043634	GNEEWW 	C38H45N9O12	819.3188	NA	PeJP	NA	NA
+PJ043635	DMMMHR 	C31H53N11O9S3	819.319	NA	PeJP	NA	NA
+PJ043636	PCMHFW 	C39H49N9O7S2	819.3197	NA	PeJP	NA	NA
+PJ043637	GSPNEMW 	C35H49N9O12S	819.3222	NA	PeJP	NA	NA
+PJ043638	CLMMHW 	C36H53N9O7S3	819.323	NA	PeJP	NA	NA
+PJ043639	TCHHHW 	C36H45N13O8S	819.3235	NA	PeJP	NA	NA
+PJ043640	EEEEER 	C31H49N9O17	819.3247	NA	PeJP	NA	NA
+PJ043641	ATTEMMH 	C32H53N9O12S2	819.3255	NA	PeJP	NA	NA
+PJ043642	GGAPQEMM 	C32H53N9O12S2	819.3256	NA	PeJP	NA	NA
+PJ043643	SSSEHHH 	C32H45N13O13	819.326	NA	PeJP	NA	NA
+PJ043644	GTMYYW 	C40H49N7O10S	819.3262	NA	PeJP	NA	NA
+PJ043645	QMMHHH 	C33H49N13O8S2	819.3269	NA	PeJP	NA	NA
+PJ043646	VEEEEW 	C36H49N7O15	819.3287	NA	PeJP	NA	NA
+PJ043647	GSSSSCHR 	C29H49N13O13S	819.3294	NA	PeJP	NA	NA
+PJ043648	VNMMYY 	C37H53N7O10S2	819.3296	NA	PeJP	NA	NA
+PJ043649	SNNNWW 	C37H45N11O11	819.33	NA	PeJP	NA	NA
+PJ043650	GGGGGGSWW 	C37H45N11O11	819.3301	NA	PeJP	NA	NA
+PJ043651	ACCCKHR 	C30H53N13O8S3	819.3303	NA	PeJP	NA	NA
+PJ043652	SPVEEEM 	C33H53N7O15S	819.3321	NA	PeJP	NA	NA
+PJ043653	PPVDMMM 	C34H57N7O10S3	819.3329	NA	PeJP	NA	NA
+PJ043654	GSPCDRW 	C34H49N11O11S	819.3334	NA	PeJP	NA	NA
+PJ043655	NEWWW 	C42H45N9O9	819.334	NA	PeJP	NA	NA
+PJ043656	GGEWWW 	C42H45N9O9	819.3341	NA	PeJP	NA	NA
+PJ043657	GSNEEER 	C30H49N11O16	819.3359	NA	PeJP	NA	NA
+PJ043658	GPNDMMR 	C31H53N11O11S2	819.3368	NA	PeJP	NA	NA
+PJ043659	GNNNQHH 	C31H45N15O12	819.3372	NA	PeJP	NA	NA
+PJ043660	GGGNNQHH 	C31H45N15O12	819.3373	NA	PeJP	NA	NA
+PJ043661	SPNMWW 	C39H49N9O9S	819.3374	NA	PeJP	NA	NA
+PJ043662	CMHHHR 	C32H49N15O7S2	819.3381	NA	PeJP	NA	NA
+PJ043663	NDKEEW 	C35H49N9O14	819.3399	NA	PeJP	NA	NA
+PJ043664	PQQMMW 	C36H53N9O9S2	819.3408	NA	PeJP	NA	NA
+PJ043665	NEHHHF 	C36H45N13O10	819.3413	NA	PeJP	NA	NA
+PJ043666	ACFFFW 	C44H49N7O7S	819.3415	NA	PeJP	NA	NA
+PJ043667	TTTTEMH 	C32H53N9O14S	819.3433	NA	PeJP	NA	NA
+PJ043668	STTYYW 	C40H49N7O12	819.3439	NA	PeJP	NA	NA
+PJ043669	GTLMMMH 	C33H57N9O9S3	819.3442	NA	PeJP	NA	NA
+PJ043670	CNNQRW 	C33H49N13O10S	819.3446	NA	PeJP	NA	NA
+PJ043671	GGGGCQRW 	C33H49N13O10S	819.3447	NA	PeJP	NA	NA
+MJ095417	Taxol?; N-Debenzoyl, N-butanoyl 	C44H53NO14	819.346605	NA	MeJP	NA	NA
+PJ043672	SSNNNER 	C29H49N13O15	819.3471	NA	PeJP	NA	NA
+PJ043673	GSDDDRR 	C29H49N13O15	819.3472	NA	PeJP	NA	NA
+PJ043674	SKEMYY 	C37H53N7O12S	819.3473	NA	PeJP	NA	NA
+PJ043675	GPCCERR 	C30H53N13O10S2	819.348	NA	PeJP	NA	NA
+7795	Antioxidant peptide derived from egg ovalbumin	VHHANEN	819.3488	antioxidative	Inhouse_peptide	NA	peptide
+PJ043676	GWWWW 	C46H45N9O6	819.3493	NA	PeJP	NA	NA
+PJ043677	ATLEEEE 	C33H53N7O17	819.3498	NA	PeJP	NA	NA
+PJ043678	APLEEMM 	C34H57N7O12S2	819.3507	NA	PeJP	NA	NA
+PJ043679	ASTNNQW 	C34H49N11O13	819.3511	NA	PeJP	NA	NA
+PJ043680	SNEERW 	C34H49N11O13	819.3512	NA	PeJP	NA	NA
+PJ043681	PCQMRW 	C35H53N11O8S2	819.352	NA	PeJP	NA	NA
+PJ043682	QQEEMR 	C31H53N11O13S	819.3545	NA	PeJP	NA	NA
+PJ043683	GGAAEEMR 	C31H53N11O13S	819.3546	NA	PeJP	NA	NA
+PJ043684	GDKEWW 	C39H49N9O11	819.3552	NA	PeJP	NA	NA
+PJ043685	ACCKKMH 	C32H57N11O8S3	819.3554	NA	PeJP	NA	NA
+PJ043686	GPCNHHR 	C32H49N15O9S	819.3559	NA	PeJP	NA	NA
+PJ043687	GHHHFW 	C40H45N13O7	819.3565	NA	PeJP	NA	NA
+PJ043688	VQQEMW 	C36H53N9O11S	819.3585	NA	PeJP	NA	NA
+PJ043689	LNQEMW 	C36H53N9O11S	819.3586	NA	PeJP	NA	NA
+PJ043690	AAFYYW 	C44H49N7O9	819.3592	NA	PeJP	NA	NA
+PJ043691	SSLQQEE 	C32H53N9O16	819.361	NA	PeJP	NA	NA
+PJ043692	GTQKEEE 	C32H53N9O16	819.3611	NA	PeJP	NA	NA
+PJ043693	STTLMMH 	C33H57N9O11S2	819.3619	NA	PeJP	NA	NA
+PJ043694	GSSNNRW 	C33H49N13O12	819.3624	NA	PeJP	NA	NA
+PJ043695	PCKFYY 	C41H53N7O9S	819.3626	NA	PeJP	NA	NA
+PJ043696	PCCRRW 	C34H53N13O7S2	819.3633	NA	PeJP	NA	NA
+PJ043697	SSSTLYY 	C37H53N7O14	819.3651	NA	PeJP	NA	NA
+PJ043698	NDEMRR 	C30H53N13O12S	819.3658	NA	PeJP	NA	NA
+PJ043699	CLKMYY 	C38H57N7O9S2	819.3659	NA	PeJP	NA	NA
+PJ043700	PPPCLMY 	C38H57N7O9S2	819.366	NA	PeJP	NA	NA
+PJ043701	GSERWW 	C38H49N11O10	819.3664	NA	PeJP	NA	NA
+PJ043702	PTTLEEM 	C34H57N7O14S	819.3684	NA	PeJP	NA	NA
+PJ043703	GLLEEEM 	C34H57N7O14S	819.3685	NA	PeJP	NA	NA
+PJ043704	PPTLMMM 	C35H61N7O9S3	819.3693	NA	PeJP	NA	NA
+PJ043705	AQEMRW 	C35H53N11O10S	819.3698	NA	PeJP	NA	NA
+PJ043706	DKWWW 	C43H49N9O8	819.3704	NA	PeJP	NA	NA
+PJ043707	GSDKEER 	C31H53N11O15	819.3723	NA	PeJP	NA	NA
+PJ043708	GPTQMMR 	C32H57N11O10S2	819.3732	NA	PeJP	NA	NA
+PJ043709	NQEHHR 	C32H49N15O11	819.3736	NA	PeJP	NA	NA
+PJ043710	GGGAEHHR 	C32H49N15O11	819.3737	NA	PeJP	NA	NA
+PJ043711	GLQMWW 	C40H53N9O8S	819.3738	NA	PeJP	NA	NA
+PJ043712	TQKEEW 	C36H53N9O13	819.3763	NA	PeJP	NA	NA
+PJ043713	CDDRRR 	C29H53N15O11S	819.377	NA	PeJP	NA	NA
+PJ043714	PQKMMW 	C37H57N9O8S2	819.3772	NA	PeJP	NA	NA
+PJ043715	VQHHHY 	C37H49N13O9	819.3776	NA	PeJP	NA	NA
+PJ043716	VNQHHW 	C37H49N13O9	819.3777	NA	PeJP	NA	NA
+PJ043717	GVQKEEM 	C33H57N9O13S	819.3797	NA	PeJP	NA	NA
+PJ043718	PLEEFW 	C41H53N7O11	819.3803	NA	PeJP	NA	NA
+PJ043719	GDMRRW 	C34H53N13O9S	819.381	NA	PeJP	NA	NA
+PJ043720	SRWWW 	C42H49N11O7	819.3817	NA	PeJP	NA	NA
+PJ043721	GSSEERR 	C30H53N13O14	819.3835	NA	PeJP	NA	NA
+PJ043722	LLEEMW 	C38H57N7O11S	819.3837	NA	PeJP	NA	NA
+PJ043723	GPTCMRR 	C31H57N13O9S2	819.3844	NA	PeJP	NA	NA
+PJ043724	AAMRWW 	C39H53N11O7S	819.3851	NA	PeJP	NA	NA
+PJ043725	STLLEEE 	C34H57N7O16	819.3862	NA	PeJP	NA	NA
+PJ043726	SPLLEMM 	C35H61N7O11S2	819.3871	NA	PeJP	NA	NA
+PJ043727	SDKERW 	C35H53N11O12	819.3875	NA	PeJP	NA	NA
+PJ043728	GSSVERW 	C35H53N11O12	819.3876	NA	PeJP	NA	NA
+PJ043729	PCKMRW 	C36H57N11O7S2	819.3884	NA	PeJP	NA	NA
+PJ043730	GQHHRW 	C36H49N15O8	819.3889	NA	PeJP	NA	NA
+PJ043731	QKEEMR 	C32H57N11O12S	819.3909	NA	PeJP	NA	NA
+PJ043732	ATKEWW 	C40H53N9O10	819.3916	NA	PeJP	NA	NA
+PJ043733	SSSNNRR 	C29H53N15O13	819.3947	NA	PeJP	NA	NA
+PJ043734	GGSSSNRR 	C29H53N15O13	819.3948	NA	PeJP	NA	NA
+PJ043735	VQKEMW 	C37H57N9O10S	819.3949	NA	PeJP	NA	NA
+PJ043736	GGLKEMW 	C37H57N9O10S	819.395	NA	PeJP	NA	NA
+PJ043737	VNFFFF 	C45H53N7O8	819.3956	NA	PeJP	NA	NA
+PJ043738	GTKKEEE 	C33H57N9O15	819.3974	NA	PeJP	NA	NA
+PJ043739	GGSTLKEE 	C33H57N9O15	819.3975	NA	PeJP	NA	NA
+PJ043740	GPKKEMM 	C34H61N9O10S2	819.3983	NA	PeJP	NA	NA
+PJ043741	SSERRW 	C34H53N13O11	819.3988	NA	PeJP	NA	NA
+PJ043742	CLKFFY 	C42H57N7O8S	819.399	NA	PeJP	NA	NA
+PJ043743	PHHHHR 	C35H49N17O7	819.4001	NA	PeJP	NA	NA
+PJ043744	GPLLEEY 	C38H57N7O13	819.4015	NA	PeJP	NA	NA
+PJ043745	SSSPMRR 	C31H57N13O11S	819.4021	NA	PeJP	NA	NA
+PJ043746	TQEMRR 	C31H57N13O11S	819.4022	NA	PeJP	NA	NA
+PJ043747	PPVVMMF 	C39H61N7O8S2	819.4023	NA	PeJP	NA	NA
+PJ043748	ATTRWW 	C39H53N11O9	819.4028	NA	PeJP	NA	NA
+PJ043749	SVLLEEM 	C35H61N7O13S	819.4048	NA	PeJP	NA	NA
+PJ043750	PVVLMMM 	C36H65N7O8S3	819.4057	NA	PeJP	NA	NA
+PJ043751	AKEMRW 	C36H57N11O9S	819.4062	NA	PeJP	NA	NA
+PJ043752	GPKFWW 	C44H53N9O7	819.4068	NA	PeJP	NA	NA
+PJ043753	GTTKEER 	C32H57N11O14	819.4087	NA	PeJP	NA	NA
+PJ043754	GPTKMMR 	C33H61N11O9S2	819.4095	NA	PeJP	NA	NA
+PJ043755	ASPKMMR 	C33H61N11O9S2	819.4096	NA	PeJP	NA	NA
+PJ043756	NNNFRR 	C33H53N15O10	819.41	NA	PeJP	NA	NA
+PJ043757	GLKMWW 	C41H57N9O7S	819.4102	NA	PeJP	NA	NA
+PJ043758	TKKEEW 	C37H57N9O12	819.4127	NA	PeJP	NA	NA
+PJ043759	SDMRRR 	C30H57N15O10S	819.4134	NA	PeJP	NA	NA
+PJ043760	PKKMMW 	C38H61N9O7S2	819.4136	NA	PeJP	NA	NA
+PJ043761	PPQHRW 	C38H53N13O8	819.414	NA	PeJP	NA	NA
+PJ043762	GAPPHRW 	C38H53N13O8	819.4141	NA	PeJP	NA	NA
+PJ043763	GVKKEEM 	C34H61N9O12S	819.4161	NA	PeJP	NA	NA
+PJ043764	PLLEYW 	C42H57N7O10	819.4167	NA	PeJP	NA	NA
+PJ043765	ATMRRW 	C35H57N13O8S	819.4174	NA	PeJP	NA	NA
+PJ043766	GTTTERR 	C31H57N13O13	819.4199	NA	PeJP	NA	NA
+PJ043767	SPPLLMY 	C39H61N7O10S	819.4201	NA	PeJP	NA	NA
+PJ043768	VQMMRR 	C32H61N13O8S2	819.4208	NA	PeJP	NA	NA
+PJ043769	SQHHRR 	C32H53N17O9	819.4213	NA	PeJP	NA	NA
+PJ043770	ALLLEMM 	C36H65N7O10S2	819.4235	NA	PeJP	NA	NA
+PJ043771	TTKERW 	C36H57N11O11	819.4239	NA	PeJP	NA	NA
+PJ043772	GGGGGPKKY 	C36H57N11O11	819.424	NA	PeJP	NA	NA
+PJ043773	GKHHRW 	C37H53N15O7	819.4253	NA	PeJP	NA	NA
+PJ043774	KKEEMR 	C33H61N11O11S	819.4273	NA	PeJP	NA	NA
+PJ043775	STLKWW 	C41H57N9O9	819.4279	NA	PeJP	NA	NA
+PJ043776	VTTKWW 	C41H57N9O9	819.428	NA	PeJP	NA	NA
+PJ043777	VKKEMW 	C38H61N9O9S	819.4313	NA	PeJP	NA	NA
+PJ043778	AMMRRR 	C31H61N15O7S2	819.432	NA	PeJP	NA	NA
+PJ043779	SSLKKEE 	C34H61N9O14	819.4338	NA	PeJP	NA	NA
+PJ043780	SPVKKMM 	C35H65N9O9S2	819.4347	NA	PeJP	NA	NA
+PJ043781	TTTRRW 	C35H57N13O10	819.4352	NA	PeJP	NA	NA
+PJ043782	SPVLLEY 	C39H61N7O12	819.4378	NA	PeJP	NA	NA
+PJ043783	PVVTLEY 	C39H61N7O12	819.4379	NA	PeJP	NA	NA
+PJ043784	TKEMRR 	C32H61N13O10S	819.4385	NA	PeJP	NA	NA
+PJ043785	GGGSKKMR 	C32H61N13O10S	819.4386	NA	PeJP	NA	NA
+PJ043786	APKRYW 	C40H57N11O8	819.4392	NA	PeJP	NA	NA
+MJ095418	Phenelfamycin; Unphenelfamycin 	C43H65NO14	819.440505	NA	MeJP	NA	NA
+PJ043787	TTLLLEM 	C36H65N7O12S	819.4412	NA	PeJP	NA	NA
+PJ043788	SLKMRW 	C37H61N11O8S	819.4426	NA	PeJP	NA	NA
+PJ043789	TTTTLQR 	C33H61N11O13	819.445	NA	PeJP	NA	NA
+PJ043790	SSTLKER 	C33H61N11O13	819.4451	NA	PeJP	NA	NA
+PJ043791	AALKMMR 	C34H65N11O8S2	819.4459	NA	PeJP	NA	NA
+PJ043792	GEFRRR 	C34H57N15O9	819.4464	NA	PeJP	NA	NA
+PJ043793	SSSLLKW 	C38H61N9O11	819.4491	NA	PeJP	NA	NA
+PJ043794	TTMRRR 	C31H61N15O9S	819.4498	NA	PeJP	NA	NA
+PJ043795	GVFRRW 	C39H57N13O7	819.4504	NA	PeJP	NA	NA
+PJ043796	ATLKKEM 	C35H65N9O11S	819.4525	NA	PeJP	NA	NA
+PJ043797	LLLEFW 	C43H61N7O9	819.4531	NA	PeJP	NA	NA
+PJ043798	SSTTLRR 	C32H61N13O12	819.4563	NA	PeJP	NA	NA
+PJ043799	APLLLMY 	C40H65N7O9S	819.4565	NA	PeJP	NA	NA
+PJ043800	VKMMRR 	C33H65N13O7S2	819.4572	NA	PeJP	NA	NA
+PJ043801	SKHHRR 	C33H57N17O8	819.4576	NA	PeJP	NA	NA
+PJ043802	SLLLLMM 	C37H69N7O9S2	819.4599	NA	PeJP	NA	NA
+PJ043803	GSSKKKW 	C37H61N11O10	819.4603	NA	PeJP	NA	NA
+PJ043804	FRRRW 	C38H57N15O6	819.4617	NA	PeJP	NA	NA
+3898	temporin L	FVQWFSKFLGRIL~	819.46245	MH2+	Inhouse_peptide	NA	peptide
+PJ043805	ATTLKMR 	C34H65N11O10S	819.4637	NA	PeJP	NA	NA
+PJ043806	PVKKYW 	C42H61N9O8	819.4643	NA	PeJP	NA	NA
+PJ043807	GGLLKFW 	C42H61N9O8	819.4644	NA	PeJP	NA	NA
+PJ043808	GPLKKMF 	C39H65N9O8S	819.4677	NA	PeJP	NA	NA
+PJ043809	TTTLKKE 	C35H65N9O13	819.4702	NA	PeJP	NA	NA
+PJ043810	GLLKKMM 	C36H69N9O8S2	819.4711	NA	PeJP	NA	NA
+PJ043811	PTKRRY 	C36H61N13O9	819.4716	NA	PeJP	NA	NA
+PJ043812	GLLLLEY 	C40H65N7O11	819.4742	NA	PeJP	NA	NA
+PJ043813	GTCKKKR 	C33H65N13O9S	819.4749	NA	PeJP	NA	NA
+PJ043814	ALKFRW 	C41H61N11O7	819.4756	NA	PeJP	NA	NA
+PJ043815	CKKKKW 	C38H65N11O7S	819.4789	NA	PeJP	NA	NA
+PJ043816	TTTTLKR 	C34H65N11O12	819.4814	NA	PeJP	NA	NA
+PJ043817	GGTTTKKK 	C34H65N11O12	819.4815	NA	PeJP	NA	NA
+PJ043818	GLRRRY 	C35H61N15O8	819.4828	NA	PeJP	NA	NA
+PJ043819	APTLKKY 	C39H65N9O10	819.4855	NA	PeJP	NA	NA
+PJ043820	STLLKKM 	C36H69N9O10S	819.4888	NA	PeJP	NA	NA
+PJ043821	LLLLYW 	C44H65N7O8	819.4895	NA	PeJP	NA	NA
+PJ043822	SSSKKKR 	C33H65N13O11	819.4927	NA	PeJP	NA	NA
+PJ043823	ALLLLMF 	C41H69N7O8S	819.4929	NA	PeJP	NA	NA
+PJ043824	PVHRRR 	C34H61N17O7	819.494	NA	PeJP	NA	NA
+PJ043825	LLQKRY 	C38H65N11O9	819.4967	NA	PeJP	NA	NA
+PJ043826	GTKKKKM 	C35H69N11O9S	819.5001	NA	PeJP	NA	NA
+PJ043827	VLKKFW 	C43H65N9O7	819.5007	NA	PeJP	NA	NA
+PJ043828	VVKRRY 	C37H65N13O8	819.5079	NA	PeJP	NA	NA
+PJ043829	PPPVVRR 	C37H65N13O8	819.508	NA	PeJP	NA	NA
+PJ043830	SVLLLLY 	C41H69N7O10	819.5106	NA	PeJP	NA	NA
+MJ095419	Crustulinol; 2-O-(3-Hydroxy-3-methylglutaroyl)(S)-, amide with (2S,3S)-isoleucine Me ester, 3-Ac 	C45H73NO12	819.513276	NA	MeJP	NA	NA
+MJ095420	Scytophycin A; 27-Ketone 	C45H73NO12	819.513276	NA	MeJP	NA	NA
+PJ043831	STTKKKK 	C35H69N11O11	819.5178	NA	PeJP	NA	NA
+PJ043832	GVLLKKY 	C40H69N9O9	819.5219	NA	PeJP	NA	NA
+PJ043833	LLKKRY 	C39H69N11O8	819.5331	NA	PeJP	NA	NA
+PJ043834	VLLLLLH 	C41H73N9O8	819.5583	NA	PeJP	NA	NA
+EUR1016	PC 40:6 [M-H-CH3]-	C48H84NO8P	819.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1016	PC 40:6 [M-H-CH3]-	C48H84NO8P	819.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1016	PC 40:6 [M-H-CH3]-	C48H84NO8P	819.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1016	PC 40:6 [M-H-CH3]-	C48H84NO8P	819.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09243	PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09274	PE(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09275	PE(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09306	PE(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09404	PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09437	PE(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09469	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09533	PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09564	PE(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09565	PE(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09594	PE(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09626	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09659	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+HMDB09691	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	C47H82NO8P	819.57782	NA	HMDB2010	NA	NA
+EUR943	PC 34:1 [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1033	16:0-18:1 PC [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR943	PC 34:1 [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1033	16:0-18:1 PC [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR943	PC 34:1 [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1033	16:0-18:1 PC [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR943	PC 34:1 [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1033	16:0-18:1 PC [M-H+acetate]-	C42H82NO8P	819.598907	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB10164	PS(18:0/20:0)	C44H86NO10P	819.598938	NA	HMDB2010	NA	NA
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_urine	NA	urine
+EUR547	16 :0-18 :1 PC F4	NA	819.600925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR547	16 :0-18 :1 PC F4	NA	819.600925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR547	16 :0-18 :1 PC F4	NA	819.600925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analysés sur QTOF	HMDB	NA	NA
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	Inhouse_PFEM	NA	NA
+EUR547	16 :0-18 :1 PC F4	NA	819.600925	standards wishlist analyses sur QTOF	Inhousejuil11	NA	NA
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_blood	NA	blood
+EUR547	16 :0-18 :1 PC F4	F4	819.600925	standards wishlist analyses sur QTOF	PFEM_hmdb_metabocards_official	NA	NA
+HMDB08654	PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB08655	PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB08686	PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:0)	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB08719	PC(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:0)	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB11260	PC(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB11261	PC(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB11292	PC(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB11325	PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+HMDB13422	PC(o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H86NO7P	819.614197	NA	HMDB2010	NA	NA
+EUR1141	SM(d18:1/26:5) [M-H-CH3]-	C49H90N2O6P	819.638001	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1141	SM(d18:1/26:5) [M-H-CH3]-	C49H90N2O6P	819.638001	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1141	SM(d18:1/26:5) [M-H-CH3]-	C49H90N2O6P	819.638001	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1141	SM(d18:1/26:5) [M-H-CH3]-	C49H90N2O6P	819.638001	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095421	1,2-Diphytanylglycero-3-phosphoserine 	C46H94NO8P	819.671705	NA	MeJP	NA	NA
+HMDB06230	Bisdiphosphoinositol tetrakisphosphate	C6H20O30P8	819.794006	NA	HMDB2010	NA	NA
+MetaCyc04152	5,6-[PP]2-InsP4 [(5,6)-bisdiphosphoinositol tetrakisphosphate;]	C6H20O30P8	819.794031	NA	metacyc	NA	NA
+PJ043835	GCCCCCDD 	C25H40N8O13S5	820.1319	NA	PeJP	NA	NA
+MJ095422	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-?-D-Glucopyranoside, 5-O-(2-sulfo-6-O-malonyl-?-D-glucopyranoside) 	C32H37O23S(+)	820.136808	NA	MeJP	NA	NA
+PJ043836	SPCCCCCC 	C26H44N8O10S6	820.1505	NA	PeJP	NA	NA
+PJ043837	GSCCCCDM 	C26H44N8O12S5	820.1683	NA	PeJP	NA	NA
+MJ095423	Vitexin; 7-O-[O-Sulfo-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]] 	C33H40O22S	820.173193	NA	MeJP	NA	NA
+PJ043838	TCCCCCW 	C30H44N8O9S5	820.1835	NA	PeJP	NA	NA
+PJ043839	SSSCCCCE 	C26H44N8O14S4	820.186	NA	PeJP	NA	NA
+PJ043840	CCCCQMM 	C27H48N8O9S6	820.1869	NA	PeJP	NA	NA
+PJ043841	CCCCCMR 	C26H48N10O8S6	820.1981	NA	PeJP	NA	NA
+PJ043842	CCCCNEF 	C30H44N8O11S4	820.2013	NA	PeJP	NA	NA
+PJ043843	GSSCCCMM 	C27H48N8O11S5	820.2046	NA	PeJP	NA	NA
+PJ043844	CCNDDDH 	C28H40N10O15S2	820.2116	NA	PeJP	NA	NA
+PJ043845	GGCCDDDH 	C28H40N10O15S2	820.2117	NA	PeJP	NA	NA
+PJ043846	GCCCCFW 	C34H44N8O8S4	820.2165	NA	PeJP	NA	NA
+PJ043847	SCCCNEY 	C30H44N8O13S3	820.219	NA	PeJP	NA	NA
+PJ043848	SSSTCCCM 	C27H48N8O13S4	820.2224	NA	PeJP	NA	NA
+PJ043849	CCCCKMM 	C28H52N8O8S6	820.2233	NA	PeJP	NA	NA
+PJ043850	GSPCCCDH 	C29H44N10O12S3	820.2303	NA	PeJP	NA	NA
+PJ043851	GSCCCYW 	C34H44N8O10S3	820.2343	NA	PeJP	NA	NA
+PJ043852	GSSSCCDY 	C30H44N8O15S2	820.2368	NA	PeJP	NA	NA
+PJ043853	GCCNMMY 	C31H48N8O10S4	820.2376	NA	PeJP	NA	NA
+PJ043854	GGGCCMMY 	C31H48N8O10S4	820.2377	NA	PeJP	NA	NA
+MJ095424	Antibiotic U 77802 	C34H48N2O17S2	820.239439	NA	MeJP	NA	NA
+PJ043855	CCCNNQH 	C28H44N12O11S3	820.2415	NA	PeJP	NA	NA
+MJ095425	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 1',2,6-tri-Ac 	C38H44O20	820.242593	NA	MeJP	NA	NA
+MJ095426	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,4,6-tri-Ac 	C38H44O20	820.242593	NA	MeJP	NA	NA
+PJ043856	NNNDDDD 	C28H40N10O19	820.2471	NA	PeJP	NA	NA
+PJ043857	GGNNDDDD 	C28H40N10O19	820.2472	NA	PeJP	NA	NA
+PJ043858	SCNDDMH 	C29H44N10O14S2	820.248	NA	PeJP	NA	NA
+PJ043859	ACCCCRY 	C30H48N10O9S4	820.2489	NA	PeJP	NA	NA
+PJ043860	GCCNDFY 	C34H44N8O12S2	820.252	NA	PeJP	NA	NA
+PJ043861	GGGCCDFY 	C34H44N8O12S2	820.2521	NA	PeJP	NA	NA
+MJ095427	N5-Formyl-5,6,7,8-tetrahydromethanopterin 	C31H45N6O18P	820.252795	NA	MeJP	NA	NA
+PJ043862	PCNDDEE 	C30H44N8O17S	820.2545	NA	PeJP	NA	NA
+PJ043863	PNDDDDM 	C30H44N8O17S	820.2546	NA	PeJP	NA	NA
+PJ043864	SSCCQMY 	C31H48N8O12S3	820.2554	NA	PeJP	NA	NA
+MJ095428	Catalpol; 6-O-(2,3,4-Tri-O-benzoyl-?-L-rhamnopyranoside) 	C42H44O17	820.257849	NA	MeJP	NA	NA
+PJ043865	DDDMYY 	C35H44N6O15S	820.2586	NA	PeJP	NA	NA
+PJ043866	GSSCCNNH 	C28H44N12O13S2	820.2593	NA	PeJP	NA	NA
+PJ043867	PCCCCHR 	C29H48N12O8S4	820.2601	NA	PeJP	NA	NA
+PJ043868	DMMMMY 	C33H52N6O10S4	820.2628	NA	PeJP	NA	NA
+PJ043869	GSCCEHW 	C33H44N10O11S2	820.2633	NA	PeJP	NA	NA
+MJ095429	Jaspolyanthoside 	C35H48O22	820.263723	NA	MeJP	NA	NA
+PJ043870	GSSSCDEH 	C29H44N10O16S	820.2658	NA	PeJP	NA	NA
+PJ043871	SSCCCRY 	C30H48N10O11S3	820.2666	NA	PeJP	NA	NA
+PJ043872	GGGCEMMH 	C30H48N10O11S3	820.2667	NA	PeJP	NA	NA
+PJ043873	GPCDDEW 	C34H44N8O14S	820.2698	NA	PeJP	NA	NA
+PJ043874	GCCNMFF 	C35H48N8O9S3	820.2707	NA	PeJP	NA	NA
+PJ043875	GNDEEEE 	C30H44N8O19	820.2723	NA	PeJP	NA	NA
+PJ043876	GSSSSCMY 	C31H48N8O14S2	820.2732	NA	PeJP	NA	NA
+PJ043877	ACCCKMY 	C32H52N8O9S4	820.274	NA	PeJP	NA	NA
+PJ043878	APPPCCCM 	C32H52N8O9S4	820.2741	NA	PeJP	NA	NA
+PJ043879	CNNNNNE 	C28H44N12O15S	820.277	NA	PeJP	NA	NA
+PJ043880	GGGGGGGGGGCE 	C28H44N12O15S	820.2771	NA	PeJP	NA	NA
+PJ043881	DDMMFY 	C36H48N6O12S2	820.2772	NA	PeJP	NA	NA
+PJ043882	GCCDMHR 	C29H48N12O10S3	820.2779	NA	PeJP	NA	NA
+PJ043883	SCCHWW 	C37H44N10O8S2	820.2785	NA	PeJP	NA	NA
+PJ043884	SSSCDHW 	C33H44N10O13S	820.281	NA	PeJP	NA	NA
+PJ043885	GGGCDEHF 	C33H44N10O13S	820.2811	NA	PeJP	NA	NA
+PJ043886	MMMMMF 	C34H56N6O7S5	820.2814	NA	PeJP	NA	NA
+PJ043887	CNMMHW 	C34H48N10O8S3	820.2819	NA	PeJP	NA	NA
+PJ043888	GDDDDER 	C29H44N10O18	820.2835	NA	PeJP	NA	NA
+PJ043889	GGGGSNDEE 	C29H44N10O18	820.2836	NA	PeJP	NA	NA
+PJ043890	SSNDMMH 	C30H48N10O13S2	820.2844	NA	PeJP	NA	NA
+PJ043891	PCDDWW 	C38H44N8O11S	820.2851	NA	PeJP	NA	NA
+PJ043892	PCCCKMH 	C31H52N10O8S4	820.2853	NA	PeJP	NA	NA
+PJ043893	ACCNHHH 	C31H44N14O9S2	820.2857	NA	PeJP	NA	NA
+PJ043894	GCCQHHH 	C31H44N14O9S2	820.2858	NA	PeJP	NA	NA
+PJ043895	NDEEEW 	C34H44N8O16	820.2876	NA	PeJP	NA	NA
+PJ043896	SPPCCEW 	C35H48N8O11S2	820.2884	NA	PeJP	NA	NA
+PJ043897	SSSSSTCY 	C31H48N8O16S	820.2909	NA	PeJP	NA	NA
+PJ043898	DDDFFY 	C39H44N6O14	820.2916	NA	PeJP	NA	NA
+PJ043899	SSCCKMY 	C32H52N8O11S3	820.2918	NA	PeJP	NA	NA
+PJ043900	GCNNNNW 	C32H44N12O12S	820.2923	NA	PeJP	NA	NA
+MJ095430	Dryocrassin 	C43H48O16	820.294235	NA	MeJP	NA	NA
+MJ095431	Saquayamycin A 	C43H48O16	820.294235	NA	MeJP	NA	NA
+MJ095432	Saquayamycin B 	C43H48O16	820.294235	NA	MeJP	NA	NA
+PJ043901	GSSNNNND 	C28H44N12O17	820.2948	NA	PeJP	NA	NA
+PJ043902	SEEMYY 	C36H48N6O14S	820.2949	NA	PeJP	NA	NA
+MJ095433	Tenuisine A; 3,3'-Dioxo 	C44H44N4O12	820.295572	NA	MeJP	NA	NA
+PJ043903	SSCCEHR 	C29H48N12O12S2	820.2956	NA	PeJP	NA	NA
+PJ043904	GGPCCNDR 	C29H48N12O12S2	820.2957	NA	PeJP	NA	NA
+PJ043905	DMMMFF 	C37H52N6O9S3	820.2958	NA	PeJP	NA	NA
+HMDB06565	Sialyl-Lewis X	C31H52N2O23	820.29608	http://www.hmdb.ca/metabolites/HMDB06565	HMDB	NA	NA
+HMDB06579	3-Sialyl Lewis	C31H52N2O23	820.29608	http://www.hmdb.ca/metabolites/HMDB06579	HMDB	NA	NA
+HMDB06565	Sialyl-Lewis X	C31H52N2O23	820.29608	HMDB06565	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06579	3-Sialyl Lewis	C31H52N2O23	820.29608	HMDB06579	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06565	Sialyl-Lewis X	C31H52N2O23	820.296082	NA	HMDB2010	NA	NA
+HMDB06579	3-Sialyl Lewis	C31H52N2O23	820.296082	NA	HMDB2010	NA	NA
+PJ043906	CNDHFW 	C37H44N10O10S	820.2963	NA	PeJP	NA	NA
+PJ043907	DDDDRW 	C33H44N10O15	820.2988	NA	PeJP	NA	NA
+PJ043908	GSTCMHW 	C34H48N10O10S2	820.2997	NA	PeJP	NA	NA
+PJ043909	SPCDDER 	C30H48N10O15S	820.3022	NA	PeJP	NA	NA
+PJ043910	GDEEWW 	C38H44N8O13	820.3028	NA	PeJP	NA	NA
+PJ043911	PPCCDMR 	C31H52N10O10S3	820.303	NA	PeJP	NA	NA
+PJ043912	GGGPPCCCK 	C31H52N10O10S3	820.3031	NA	PeJP	NA	NA
+PJ043913	SSCNHHH 	C31H44N14O11S	820.3035	NA	PeJP	NA	NA
+PJ043914	GSPDEMW 	C35H48N8O13S	820.3062	NA	PeJP	NA	NA
+PJ043915	GPPCMMW 	C36H52N8O8S3	820.3071	NA	PeJP	NA	NA
+PJ043916	GTQEEEE 	C31H48N8O18	820.3087	NA	PeJP	NA	NA
+PJ043917	GPQEEMM 	C32H52N8O13S2	820.3096	NA	PeJP	NA	NA
+PJ043918	SPNDDHH 	C32H44N12O14	820.31	NA	PeJP	NA	NA
+PJ043919	PCEFYY 	C40H48N6O11S	820.3102	NA	PeJP	NA	NA
+PJ043920	EMMHHH 	C33H48N12O9S2	820.3109	NA	PeJP	NA	NA
+PJ043921	GNNDDMR 	C29H48N12O14S	820.3134	NA	PeJP	NA	NA
+PJ043922	VDMMYY 	C37H52N6O11S2	820.3136	NA	PeJP	NA	NA
+PJ043923	SNNDWW 	C37H44N10O12	820.314	NA	PeJP	NA	NA
+PJ043924	GGGGSDWW 	C37H44N10O12	820.3141	NA	PeJP	NA	NA
+PJ043925	GSCMMHR 	C30H52N12O9S3	820.3143	NA	PeJP	NA	NA
+PJ043926	CMHHFF 	C38H48N10O7S2	820.3149	NA	PeJP	NA	NA
+MJ095434	Phyllanthocic acid; [3-O-Acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-?-D-glucopyranosyl] ester 	C40H52O18	820.315364	NA	MeJP	NA	NA
+PJ043927	SSSSMHW 	C34H48N10O12S	820.3174	NA	PeJP	NA	NA
+PJ043928	DEWWW 	C42H44N8O10	820.3181	NA	PeJP	NA	NA
+PJ043929	GSDEEER 	C30H48N10O17	820.3199	NA	PeJP	NA	NA
+PJ043930	GPDDMMR 	C31H52N10O12S2	820.3208	NA	PeJP	NA	NA
+PJ043931	GNNNEHH 	C31H44N14O13	820.3213	NA	PeJP	NA	NA
+PJ043932	SPDMWW 	C39H48N8O10S	820.3214	NA	PeJP	NA	NA
+PJ043933	GGGACFFY 	C39H48N8O10S	820.3215	NA	PeJP	NA	NA
+PJ043934	GCCKHHH 	C32H48N14O8S2	820.3221	NA	PeJP	NA	NA
+PJ043935	TQEEEW 	C35H48N8O15	820.3239	NA	PeJP	NA	NA
+PJ043936	GATEEEW 	C35H48N8O15	820.324	NA	PeJP	NA	NA
+PJ043937	SCNNNNR 	C28H48N14O13S	820.3246	NA	PeJP	NA	NA
+PJ043938	GGGGGGSCNR 	C28H48N14O13S	820.3247	NA	PeJP	NA	NA
+PJ043939	PQEMMW 	C36H52N8O10S2	820.3248	NA	PeJP	NA	NA
+PJ043940	DEHHHF 	C36H44N12O11	820.3253	NA	PeJP	NA	NA
+PJ043941	GVQEEEM 	C32H52N8O15S	820.3273	NA	PeJP	NA	NA
+PJ043942	SPEYYY 	C40H48N6O13	820.328	NA	PeJP	NA	NA
+PJ043943	SPPQMMM 	C33H56N8O10S3	820.3282	NA	PeJP	NA	NA
+PJ043944	CNNERW 	C33H48N12O11S	820.3287	NA	PeJP	NA	NA
+PJ043945	GSSSNNQQ 	C29H48N12O16	820.3311	NA	PeJP	NA	NA
+PJ043946	SSNNDER 	C29H48N12O16	820.3312	NA	PeJP	NA	NA
+PJ043947	SSTCMHR 	C30H52N12O11S2	820.332	NA	PeJP	NA	NA
+PJ043948	VMMMFY 	C38H56N6O8S3	820.3322	NA	PeJP	NA	NA
+PJ043949	GNQMWW 	C38H48N10O9S	820.3327	NA	PeJP	NA	NA
+PJ043950	SDEERW 	C34H48N10O14	820.3352	NA	PeJP	NA	NA
+PJ043951	GPCCQKW 	C35H52N10O9S2	820.336	NA	PeJP	NA	NA
+PJ043952	PCEMRW 	C35H52N10O9S2	820.3361	NA	PeJP	NA	NA
+PJ043953	NNNHHW 	C35H44N14O10	820.3365	NA	PeJP	NA	NA
+PJ043954	QEEEMR 	C31H52N10O14S	820.3385	NA	PeJP	NA	NA
+PJ043955	GAEEEMR 	C31H52N10O14S	820.3386	NA	PeJP	NA	NA
+PJ043956	ATEEWW 	C39H48N8O12	820.3392	NA	PeJP	NA	NA
+PJ043957	SPPCMMR 	C32H56N10O9S3	820.3394	NA	PeJP	NA	NA
+PJ043958	GPCDHHR 	C32H48N14O10S	820.3399	NA	PeJP	NA	NA
+PJ043959	APMMWW 	C40H52N8O7S2	820.3401	NA	PeJP	NA	NA
+PJ043960	VQEEMW 	C36H52N8O12S	820.3426	NA	PeJP	NA	NA
+PJ043961	GCNRWW 	C37H48N12O8S	820.3439	NA	PeJP	NA	NA
+PJ043962	GTKEEEE 	C32H52N8O17	820.3451	NA	PeJP	NA	NA
+PJ043963	GPKEEMM 	C33H56N8O12S2	820.3459	NA	PeJP	NA	NA
+PJ043964	APDKEMM 	C33H56N8O12S2	820.346	NA	PeJP	NA	NA
+PJ043965	GSSNDRW 	C33H48N12O13	820.3464	NA	PeJP	NA	NA
+PJ043966	GGGGGGGGGAAF 	C33H48N12O13	820.3465	NA	PeJP	NA	NA
+PJ043967	PCLYYY 	C41H52N6O10S	820.3466	NA	PeJP	NA	NA
+PJ043968	CQMHFR 	C34H52N12O8S2	820.3473	NA	PeJP	NA	NA
+PJ043969	DDEMRR 	C30H52N12O13S	820.3498	NA	PeJP	NA	NA
+PJ043970	TLMMYY 	C38H56N6O10S2	820.35	NA	PeJP	NA	NA
+PJ043971	SSQQWW 	C38H48N10O11	820.3504	NA	PeJP	NA	NA
+PJ043972	GGGGGAPYW 	C38H48N10O11	820.3505	NA	PeJP	NA	NA
+PJ043973	AEEMRW 	C35H52N10O11S	820.3538	NA	PeJP	NA	NA
+PJ043974	GPEFWW 	C43H48N8O9	820.3545	NA	PeJP	NA	NA
+PJ043975	GTTEEER 	C31H52N10O16	820.3563	NA	PeJP	NA	NA
+PJ043976	GPTEMMR 	C32H56N10O11S2	820.3572	NA	PeJP	NA	NA
+PJ043977	NEEHHR 	C32H48N14O12	820.3576	NA	PeJP	NA	NA
+PJ043978	GGEEHHR 	C32H48N14O12	820.3577	NA	PeJP	NA	NA
+PJ043979	GLEMWW 	C40H52N8O9S	820.3578	NA	PeJP	NA	NA
+PJ043980	CCHFRR 	C33H52N14O7S2	820.3585	NA	PeJP	NA	NA
+PJ043981	TKEEEW 	C36H52N8O14	820.3603	NA	PeJP	NA	NA
+PJ043982	GSCNERR 	C29H52N14O12S	820.361	NA	PeJP	NA	NA
+PJ043983	PKEMMW 	C37H56N8O9S2	820.3612	NA	PeJP	NA	NA
+PJ043984	VNEHHW 	C37H48N12O10	820.3617	NA	PeJP	NA	NA
+PJ043985	GVKEEEM 	C33H56N8O14S	820.3637	NA	PeJP	NA	NA
+PJ043986	ALEYYY 	C41H52N6O12	820.3643	NA	PeJP	NA	NA
+PJ043987	SPPKMMM 	C34H60N8O9S3	820.3646	NA	PeJP	NA	NA
+PJ043988	SNQMRW 	C34H52N12O10S	820.365	NA	PeJP	NA	NA
+PJ043989	GGGGTMRW 	C34H52N12O10S	820.3651	NA	PeJP	NA	NA
+PJ043990	VMMFFF 	C42H56N6O7S2	820.3652	NA	PeJP	NA	NA
+PJ043991	GQHFFW 	C42H48N10O8	820.3657	NA	PeJP	NA	NA
+PJ043992	SSSQQER 	C30H52N12O15	820.3675	NA	PeJP	NA	NA
+PJ043993	GGGGSTTER 	C30H52N12O15	820.3676	NA	PeJP	NA	NA
+MJ095435	Catharicine 	C46H52N4O10	820.368343	NA	MeJP	NA	NA
+PJ043994	QQQMMR 	C31H56N12O10S2	820.3684	NA	PeJP	NA	NA
+PJ043995	GSNNHHR 	C31H48N16O11	820.3689	NA	PeJP	NA	NA
+PJ043996	GNKMWW 	C39H52N10O8S	820.3691	NA	PeJP	NA	NA
+PJ043997	PFWWW 	C47H48N8O6	820.3697	NA	PeJP	NA	NA
+MJ095436	Decatromicin A 	C45H57ClN2O10	820.370173	NA	MeJP	NA	NA
+PJ043998	SSSLNQW 	C35H52N10O13	820.3715	NA	PeJP	NA	NA
+PJ043999	TTEERW 	C35H52N10O13	820.3716	NA	PeJP	NA	NA
+PJ044000	PTMMRW 	C36H56N10O8S2	820.3724	NA	PeJP	NA	NA
+PJ044001	GEHHRW 	C36H48N14O9	820.3729	NA	PeJP	NA	NA
+PJ044002	LMWWW 	C44H52N8O6S	820.3731	NA	PeJP	NA	NA
+PJ044003	KEEEMR 	C32H56N10O13S	820.3749	NA	PeJP	NA	NA
+PJ044004	GGGDKKEM 	C32H56N10O13S	820.375	NA	PeJP	NA	NA
+PJ044005	STLEWW 	C40H52N8O11	820.3756	NA	PeJP	NA	NA
+PJ044006	GPVMMMR 	C33H60N10O8S3	820.3758	NA	PeJP	NA	NA
+PJ044007	SCNRRW 	C33H52N14O9S	820.3763	NA	PeJP	NA	NA
+PJ044008	GVHHWW 	C41H48N12O7	820.3769	NA	PeJP	NA	NA
+PJ044009	SSSNDRR 	C29H52N14O14	820.3788	NA	PeJP	NA	NA
+PJ044010	SSPTLMW 	C37H56N8O11S	820.3789	NA	PeJP	NA	NA
+PJ044011	VKEEMW 	C37H56N8O11S	820.379	NA	PeJP	NA	NA
+PJ044012	PTFFFY 	C45H52N6O9	820.3796	NA	PeJP	NA	NA
+PJ044013	GGNMMRR 	C30H56N14O9S2	820.3797	NA	PeJP	NA	NA
+PJ044014	LMHHHF 	C38H52N12O7S	820.3803	NA	PeJP	NA	NA
+PJ044015	SSSPTTLE 	C33H56N8O16	820.3814	NA	PeJP	NA	NA
+PJ044016	SSLKEEE 	C33H56N8O16	820.3815	NA	PeJP	NA	NA
+PJ044017	SPVKEMM 	C34H60N8O11S2	820.3823	NA	PeJP	NA	NA
+PJ044018	GSSTQRW 	C34H52N12O12	820.3828	NA	PeJP	NA	NA
+PJ044019	VVMFYY 	C42H56N6O9S	820.383	NA	PeJP	NA	NA
+PJ044020	CKMHFR 	C35H56N12O7S2	820.3837	NA	PeJP	NA	NA
+PJ044021	TEEMRR 	C31H56N12O12S	820.3862	NA	PeJP	NA	NA
+PJ044022	SSQKWW 	C39H52N10O10	820.3868	NA	PeJP	NA	NA
+PJ044023	PMMMRR 	C32H60N12O7S3	820.387	NA	PeJP	NA	NA
+MJ095437	3,22-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 30?22 Lactone, 3-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H60O16	820.388135	NA	MeJP	NA	NA
+MJ095438	3-Hydroxy-22-oxo-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H60O16	820.388135	NA	MeJP	NA	NA
+PJ044024	HHRWW 	C40H48N14O6	820.3882	NA	PeJP	NA	NA
+PJ044025	SLEMRW 	C36H56N10O10S	820.3902	NA	PeJP	NA	NA
+PJ044026	GPLYWW 	C44H52N8O8	820.3908	NA	PeJP	NA	NA
+PJ044027	GAPPFFW 	C44H52N8O8	820.3909	NA	PeJP	NA	NA
+PJ044028	SSTLEER 	C32H56N10O15	820.3927	NA	PeJP	NA	NA
+PJ044029	AALEMMR 	C33H60N10O10S2	820.3936	NA	PeJP	NA	NA
+PJ044030	NNDFRR 	C33H52N14O11	820.394	NA	PeJP	NA	NA
+PJ044031	GGGGDFRR 	C33H52N14O11	820.3941	NA	PeJP	NA	NA
+PJ044032	SVLMWW 	C41H56N8O8S	820.3942	NA	PeJP	NA	NA
+PJ044033	SSSLLEW 	C37H56N8O13	820.3967	NA	PeJP	NA	NA
+PJ044034	GSSQMRR 	C30H56N14O11S	820.3974	NA	PeJP	NA	NA
+PJ044035	LLQMMW 	C38H60N8O8S2	820.3976	NA	PeJP	NA	NA
+PJ044036	SQHFFR 	C38H52N12O9	820.398	NA	PeJP	NA	NA
+PJ044037	GQQFRW 	C38H52N12O9	820.3981	NA	PeJP	NA	NA
+PJ044038	ATLKEEM 	C34H60N8O13S	820.4001	NA	PeJP	NA	NA
+PJ044039	SLLYYY 	C42H56N6O11	820.4007	NA	PeJP	NA	NA
+PJ044040	APLKMMM 	C35H64N8O8S3	820.401	NA	PeJP	NA	NA
+PJ044041	SNKMRW 	C35H56N12O9S	820.4014	NA	PeJP	NA	NA
+PJ044042	PPVHWW 	C43H52N10O7	820.4021	NA	PeJP	NA	NA
+PJ044043	SSSQKER 	C31H56N12O14	820.4039	NA	PeJP	NA	NA
+PJ044044	VEMMRR 	C32H60N12O9S2	820.4048	NA	PeJP	NA	NA
+PJ044045	SEHHRR 	C32H52N16O10	820.4053	NA	PeJP	NA	NA
+PJ044046	ACKKWW 	C40H56N10O7S	820.4055	NA	PeJP	NA	NA
+PJ044047	GSTDKKW 	C36H56N10O12	820.4079	NA	PeJP	NA	NA
+PJ044048	GSSKKEW 	C36H56N10O12	820.408	NA	PeJP	NA	NA
+PJ044049	GSSCRRR 	C29H56N16O10S	820.4086	NA	PeJP	NA	NA
+PJ044050	VVMMRW 	C37H60N10O7S2	820.4088	NA	PeJP	NA	NA
+PJ044051	SVHHRW 	C37H52N14O8	820.4093	NA	PeJP	NA	NA
+PJ044052	ATTLEMR 	C33H60N10O12S	820.4113	NA	PeJP	NA	NA
+PJ044053	PVKEYW 	C41H56N8O10	820.412	NA	PeJP	NA	NA
+PJ044054	LQMHHR 	C34H56N14O8S	820.4127	NA	PeJP	NA	NA
+PJ044055	SSSTQRR 	C30H56N14O13	820.4151	NA	PeJP	NA	NA
+PJ044056	GGSSTTRR 	C30H56N14O13	820.4152	NA	PeJP	NA	NA
+PJ044057	GTTLLMW 	C38H60N8O10S	820.4153	NA	PeJP	NA	NA
+PJ044058	GGAPLLMY 	C38H60N8O10S	820.4154	NA	PeJP	NA	NA
+PJ044059	VVFFFY 	C46H56N6O8	820.416	NA	PeJP	NA	NA
+PJ044060	TTTLKEE 	C34H60N8O15	820.4178	NA	PeJP	NA	NA
+MJ095439	Ergophilone A 	C50H60O10	820.418648	NA	MeJP	NA	NA
+PJ044061	GLLKEMM 	C35H64N8O10S2	820.4187	NA	PeJP	NA	NA
+PJ044062	GSSTKRW 	C35H56N12O11	820.4192	NA	PeJP	NA	NA
+3583	NA	DFGLEKI	820.4199	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ044063	ASTQKMR 	C32H60N12O11S	820.4225	NA	PeJP	NA	NA
+PJ044064	GSDKKMR 	C32H60N12O11S	820.4226	NA	PeJP	NA	NA
+PJ044065	SSKKWW 	C40H56N10O9	820.4232	NA	PeJP	NA	NA
+PJ044066	CLHHRR 	C33H56N16O7S	820.4239	NA	PeJP	NA	NA
+PJ044067	TQKKMW 	C37H60N10O9S	820.4266	NA	PeJP	NA	NA
+PJ044068	GLLFWW 	C45H56N8O7	820.4272	NA	PeJP	NA	NA
+PJ044069	CCKRRR 	C30H60N16O7S2	820.4273	NA	PeJP	NA	NA
+PJ044070	TTTTLER 	C33H60N10O14	820.4291	NA	PeJP	NA	NA
+PJ044071	ASLLMMR 	C34H64N10O9S2	820.4299	NA	PeJP	NA	NA
+PJ044072	GTLLMMR 	C34H64N10O9S2	820.43	NA	PeJP	NA	NA
+PJ044073	AQQRRY 	C34H56N14O10	820.4304	NA	PeJP	NA	NA
+PJ044074	PLKMFW 	C42H60N8O7S	820.4306	NA	PeJP	NA	NA
+PJ044075	STTTLLW 	C38H60N8O12	820.4331	NA	PeJP	NA	NA
+PJ044076	GSSKMRR 	C31H60N14O10S	820.4338	NA	PeJP	NA	NA
+PJ044077	LLKMMW 	C39H64N8O7S2	820.434	NA	PeJP	NA	NA
+PJ044078	GQKFRW 	C39H56N12O8	820.4344	NA	PeJP	NA	NA
+PJ044079	GGAKFRW 	C39H56N12O8	820.4345	NA	PeJP	NA	NA
+PJ044080	STLLKEM 	C35H64N8O12S	820.4365	NA	PeJP	NA	NA
+PJ044081	TCKKRW 	C36H60N12O8S	820.4378	NA	PeJP	NA	NA
+PJ044082	SSSKKER 	C32H60N12O13	820.4403	NA	PeJP	NA	NA
+PJ044083	QKKMMR 	C33H64N12O8S2	820.4412	NA	PeJP	NA	NA
+PJ044084	GNRRRY 	C33H56N16O9	820.4417	NA	PeJP	NA	NA
+PJ044085	GTTTKKW 	C37H60N10O11	820.4443	NA	PeJP	NA	NA
+PJ044086	GGGGGLLKY 	C37H60N10O11	820.4444	NA	PeJP	NA	NA
+MJ095440	6,7-Epoxyergostane-1,3,5,22,24,25-hexol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C40H68O17	820.44565	NA	MeJP	NA	NA
+MJ095441	Furostane-2,3,5,6,22,26-hexol, 22-Me ether, 2,26-di-O-?-D-glucopyranoside 	C40H68O17	820.44565	NA	MeJP	NA	NA
+MJ095442	Pregnane-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-D-fucopyranoside] 	C40H68O17	820.44565	NA	MeJP	NA	NA
+MJ095443	Pregnane-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-D-fucopyranoside] 	C40H68O17	820.44565	NA	MeJP	NA	NA
+PJ044087	PKHHFR 	C38H56N14O7	820.4457	NA	PeJP	NA	NA
+PJ044088	STTLLMR 	C34H64N10O11S	820.4477	NA	PeJP	NA	NA
+PJ044089	VLLQYW 	C42H60N8O9	820.4484	NA	PeJP	NA	NA
+PJ044090	LKMHHR 	C35H60N14O7S	820.449	NA	PeJP	NA	NA
+PJ044091	SSSTKRR 	C31H60N14O12	820.4515	NA	PeJP	NA	NA
+PJ044092	GPLLKMY 	C39H64N8O9S	820.4517	NA	PeJP	NA	NA
+PJ044093	CKKMRR 	C32H64N14O7S2	820.4524	NA	PeJP	NA	NA
+PJ044094	SSSTTLLL 	C35H64N8O14	820.4542	NA	PeJP	NA	NA
+PJ044095	SVLLKMM 	C36H68N8O9S2	820.4551	NA	PeJP	NA	NA
+PJ044096	VVERRY 	C36H60N12O10	820.4556	NA	PeJP	NA	NA
+PJ044097	GTTKKMR 	C33H64N12O10S	820.4589	NA	PeJP	NA	NA
+PJ044098	ALLRYW 	C41H60N10O8	820.4596	NA	PeJP	NA	NA
+MJ095444	Pouoside C; 8-Acetoxy, 2'-Ac 	C44H68O14	820.460906	NA	MeJP	NA	NA
+MJ095445	Pouoside C; 8-Acetoxy, 6'-Ac 	C44H68O14	820.460906	NA	MeJP	NA	NA
+PJ044099	TKKKMW 	C38H64N10O8S	820.463	NA	PeJP	NA	NA
+PJ044100	STTKKKE 	C34H64N10O13	820.4655	NA	PeJP	NA	NA
+PJ044101	GVKKKMM 	C35H68N10O8S2	820.4663	NA	PeJP	NA	NA
+PJ044102	AQKRRY 	C35H60N14O9	820.4668	NA	PeJP	NA	NA
+PJ044103	GVLLKEY 	C39H64N8O11	820.4695	NA	PeJP	NA	NA
+PJ044104	GKKFRW 	C40H60N12O7	820.4708	NA	PeJP	NA	NA
+PJ044105	VLMFRR 	C37H64N12O7S	820.4742	NA	PeJP	NA	NA
+PJ044106	STTTKKR 	C33H64N12O12	820.4767	NA	PeJP	NA	NA
+PJ044107	KKKMMR 	C34H68N12O7S2	820.4776	NA	PeJP	NA	NA
+PJ044108	PQKHRR 	C34H60N16O8	820.478	NA	PeJP	NA	NA
+PJ044109	LLKERY 	C38H64N10O10	820.4807	NA	PeJP	NA	NA
+MJ095446	Stigmastane-3,4,6,8,15,16,29-heptol, 29-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside] 	C41H72O16	820.482036	NA	MeJP	NA	NA
+MJ095447	Stigmastane-3,6,8,15,16,29-hexol, 29-O-[?-D-Galactofuranosyl-(1?6)-?-D-galactofuranoside] 	C41H72O16	820.482036	NA	MeJP	NA	NA
+PJ044110	SSLKKKM 	C35H68N10O10S	820.4841	NA	PeJP	NA	NA
+PJ044111	VLLKYW 	C43H64N8O8	820.4847	NA	PeJP	NA	NA
+PJ044112	PPPVLLW 	C43H64N8O8	820.4848	NA	PeJP	NA	NA
+PJ044113	GLLLKMF 	C40H68N8O8S	820.4881	NA	PeJP	NA	NA
+PJ044114	TLLRRY 	C37H64N12O9	820.492	NA	PeJP	NA	NA
+MJ095448	Okadaic acid; 35(R)-Methyl, 14,15-dihydro 	C45H72O13	820.497292	NA	MeJP	NA	NA
+MJ095449	Oligomycin E 	C45H72O13	820.497292	NA	MeJP	NA	NA
+PJ044115	AKKRRY 	C36H64N14O8	820.5032	NA	PeJP	NA	NA
+PJ044116	ATLLLKY 	C40H68N8O10	820.5059	NA	PeJP	NA	NA
+PJ044117	PKKHRR 	C35H64N16O7	820.5144	NA	PeJP	NA	NA
+PJ044118	AALKKKY 	C39H68N10O9	820.5171	NA	PeJP	NA	NA
+HMDB10629	PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H77O10P	820.525452	NA	HMDB2010	NA	NA
+HMDB10644	PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H77O10P	820.525452	NA	HMDB2010	NA	NA
+HMDB10657	PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C46H77O10P	820.525452	NA	HMDB2010	NA	NA
+HMDB10658	PG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C46H77O10P	820.525452	NA	HMDB2010	NA	NA
+HMDB10671	PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	C46H77O10P	820.525452	NA	HMDB2010	NA	NA
+HMDB10686	PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	C46H77O10P	820.525452	NA	HMDB2010	NA	NA
+PJ044119	VKKKRY 	C38H68N12O8	820.5283	NA	PeJP	NA	NA
+MJ095450	Macrotetrolide B 	C46H76O12	820.533677	NA	MeJP	NA	NA
+MJ095451	1,2-Di-O-acylglycerols; Glycerol 1-(9E-octadecenoate) 2-hexadecanoate, 3-O-(6-Deoxy-6-sulfo-?-D-glucopyranoside) 	C43H80O12S	820.537048	NA	MeJP	NA	NA
+PJ044120	GPPVLLLL 	C41H72N8O9	820.5423	NA	PeJP	NA	NA
+PJ044121	PPLLLLR 	C40H72N10O8	820.5535	NA	PeJP	NA	NA
+EUR1053	SM(d18:0/20:0) [M-H+acetate]-	C43H89N2O6P	820.666926	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1053	SM(d18:0/20:0) [M-H+acetate]-	C43H89N2O6P	820.666926	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1053	SM(d18:0/20:0) [M-H+acetate]-	C43H89N2O6P	820.666926	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1053	SM(d18:0/20:0) [M-H+acetate]-	C43H89N2O6P	820.666926	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095452	Bisconicasterone 	C58H92O2	820.709732	NA	MeJP	NA	NA
+MJ095453	20(29)-Lupen-3-ol, (6-Heptadecyl-2,2-dimethyl-1,3-dioxane-4-acetyl) 	C55H96O4	820.730861	NA	MeJP	NA	NA
+MJ095454	20(29)-Lupen-3-ol, 3-Hydroxyhexacosanoyl 	C56H100O3	820.767247	NA	MeJP	NA	NA
+MJ095455	Iohexol 	C19H26I3N3O9	820.880309	NA	MeJP	NA	NA
+MJ095456	Propenoyl-CoA 	C24H38N7O17P3S	821.125773	NA	MeJP	NA	NA
+MetaCyc04153	acrylyl-CoA [acryloyl-CoA;acryloyl-coenzyme A;acrylyl-CoA;]	C24H38N7O17P3S1	821.125773	5776-58-9	metacyc	NA	NA
+HMDB02307	Acrylyl-CoA	C24H38N7O17P3S	821.12579	http://www.hmdb.ca/metabolites/HMDB02307	HMDB	NA	NA
+HMDB02307	Acrylyl-CoA	C24H38N7O17P3S	821.12579	HMDB02307	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02307	Acrylyl-CoA	C24H38N7O17P3S	821.125793	NA	HMDB2010	NA	NA
+C00894	Propenoyl-CoA	C24H38N7O17P3S	821.1258	NA	KEGG	NA	NA
+C00895	RNA (poly(A))	C20H25N10O10P	821.1258	NA	KEGG	NA	NA
+FL7AAIGLS002	Malvidin 3-glucoside-5-(6'''-malonyl-2'''-sulfatoglucoside)	C32H37O23S	821.14463	160206-03-1	knapsack	NA	NA
+PJ044122	GCCCCCCQ 	C25H43N9O10S6	821.1458	NA	PeJP	NA	NA
+PJ044123	SSCCCCCN 	C25H43N9O12S5	821.1635	NA	PeJP	NA	NA
+PJ044124	CCCCEMM 	C27H47N7O10S6	821.1709	NA	PeJP	NA	NA
+PJ044125	GCCCCCCK 	C26H47N9O9S6	821.1821	NA	PeJP	NA	NA
+PJ044126	CCCCDEF 	C30H43N7O12S4	821.1853	NA	PeJP	NA	NA
+PJ044127	CCDDDDH 	C28H39N9O16S2	821.1957	NA	PeJP	NA	NA
+PJ044128	CCCCNNY 	C29H43N9O11S4	821.1965	NA	PeJP	NA	NA
+PJ044129	SCCCDEY 	C30H43N7O14S3	821.203	NA	PeJP	NA	NA
+PJ044130	PCCCCMY 	C31H47N7O9S5	821.2039	NA	PeJP	NA	NA
+PJ044131	TCCCMMM 	C28H51N7O9S6	821.2073	NA	PeJP	NA	NA
+PJ044132	GCCDMMY 	C31H47N7O11S4	821.2217	NA	PeJP	NA	NA
+PJ044133	CCCNNEH 	C28H43N11O12S3	821.2255	NA	PeJP	NA	NA
+PJ044134	NNDDDDD 	C28H39N9O20	821.2312	NA	PeJP	NA	NA
+PJ044135	SCDDDMH 	C29H43N9O15S2	821.232	NA	PeJP	NA	NA
+PJ044136	PCCCEMH 	C30H47N9O10S4	821.2329	NA	PeJP	NA	NA
+PJ044137	GCCDDFY 	C34H43N7O13S2	821.2361	NA	PeJP	NA	NA
+PJ044138	PCCCCFF 	C35H47N7O8S4	821.2369	NA	PeJP	NA	NA
+PJ044139	PDDDDDM 	C30H43N7O18S	821.2386	NA	PeJP	NA	NA
+PJ044140	SSCCEMY 	C31H47N7O13S3	821.2394	NA	PeJP	NA	NA
+PJ044141	GCCMMMF 	C32H51N7O8S5	821.2403	NA	PeJP	NA	NA
+PJ044142	GCCCNHW 	C32H43N11O9S3	821.2408	NA	PeJP	NA	NA
+PJ044143	GSSCCNDH 	C28H43N11O14S2	821.2433	NA	PeJP	NA	NA
+PJ044144	GSPCNDDD 	C29H43N9O17S	821.2498	NA	PeJP	NA	NA
+PJ044145	GCDEMMH 	C30H47N9O12S3	821.2507	NA	PeJP	NA	NA
+PJ044146	GSCDDYY 	C34H43N7O15S	821.2538	NA	PeJP	NA	NA
+PJ044147	APCCCYY 	C35H47N7O10S3	821.2547	NA	PeJP	NA	NA
+PJ044148	GDDEEEE 	C30H43N7O20	821.2563	NA	PeJP	NA	NA
+PJ044149	ATCCMMY 	C32H51N7O10S4	821.258	NA	PeJP	NA	NA
+PJ044150	GSCMMMY 	C32H51N7O10S4	821.2581	NA	PeJP	NA	NA
+PJ044151	CNNNNDE 	C28H43N11O16S	821.261	NA	PeJP	NA	NA
+PJ044152	GGGGGGCNDE 	C28H43N11O16S	821.2611	NA	PeJP	NA	NA
+PJ044153	SCCNQMH 	C29H47N11O11S3	821.2619	NA	PeJP	NA	NA
+PJ044154	GCDDEHF 	C33H43N9O14S	821.2651	NA	PeJP	NA	NA
+PJ044155	CDMMHW 	C34H47N9O9S3	821.2659	NA	PeJP	NA	NA
+PJ044156	SNNDDEE 	C29H43N9O19	821.2675	NA	PeJP	NA	NA
+PJ044157	GGSNDDEE 	C29H43N9O19	821.2676	NA	PeJP	NA	NA
+PJ044158	SSDDMMH 	C30H47N9O14S2	821.2684	NA	PeJP	NA	NA
+PJ044159	PTCCMMH 	C31H51N9O9S4	821.2693	NA	PeJP	NA	NA
+PJ044160	GCCEHHH 	C31H43N13O10S2	821.2698	NA	PeJP	NA	NA
+PJ044161	DDEEEW 	C34H43N7O17	821.2716	NA	PeJP	NA	NA
+PJ044162	CNEMYY 	C35H47N7O12S2	821.2724	NA	PeJP	NA	NA
+PJ044163	SCCCNHR 	C28H47N13O10S3	821.2731	NA	PeJP	NA	NA
+MJ095457	Perdeacylhypoglaunine; 1,2,6,8,9,14-Hexa-Ac 	C38H47NO19	821.274228	NA	MeJP	NA	NA
+MJ095458	Perdeacylwilfortrine; 1,2,6,8,9,14-Hexa-Ac 	C38H47NO19	821.274228	NA	MeJP	NA	NA
+PJ044164	PTDDDEM 	C31H47N7O17S	821.2749	NA	PeJP	NA	NA
+PJ044165	SPDDEEM 	C31H47N7O17S	821.275	NA	PeJP	NA	NA
+PJ044166	SSTCMMY 	C32H51N7O12S3	821.2758	NA	PeJP	NA	NA
+PJ044167	GCNNNDW 	C32H43N11O13S	821.2763	NA	PeJP	NA	NA
+PJ044168	GSSNNNDD 	C28H43N11O18	821.2788	NA	PeJP	NA	NA
+PJ044169	ASSSCCQH 	C29H47N11O13S2	821.2796	NA	PeJP	NA	NA
+PJ044170	PCCNDDR 	C29H47N11O13S2	821.2797	NA	PeJP	NA	NA
+PJ044171	CDDHFW 	C37H43N9O11S	821.2803	NA	PeJP	NA	NA
+PJ044172	GSNDDEW 	C33H43N9O16	821.2828	NA	PeJP	NA	NA
+PJ044173	GPCNDMW 	C34H47N9O11S2	821.2837	NA	PeJP	NA	NA
+PJ044174	CCHHHW 	C35H43N13O7S2	821.285	NA	PeJP	NA	NA
+PJ044175	GNNEEEM 	C30H47N9O16S	821.2862	NA	PeJP	NA	NA
+PJ044176	ASDMMMH 	C31H51N9O11S3	821.287	NA	PeJP	NA	NA
+PJ044177	GSEMMMH 	C31H51N9O11S3	821.2871	NA	PeJP	NA	NA
+PJ044178	SSCDHHH 	C31H43N13O12S	821.2875	NA	PeJP	NA	NA
+PJ044179	GCMYYW 	C39H47N7O9S2	821.2877	NA	PeJP	NA	NA
+PJ044180	GSSDMYY 	C35H47N7O14S	821.2902	NA	PeJP	NA	NA
+PJ044181	CQMMFY 	C36H51N7O9S3	821.2911	NA	PeJP	NA	NA
+PJ044182	GTEEEEE 	C31H47N7O19	821.2927	NA	PeJP	NA	NA
+PJ044183	GPEEEMM 	C32H51N7O14S2	821.2936	NA	PeJP	NA	NA
+PJ044184	SPDDDHH 	C32H43N11O15	821.294	NA	PeJP	NA	NA
+PJ044185	GCNNMHF 	C33H47N11O10S2	821.2949	NA	PeJP	NA	NA
+PJ044186	GNDDDMR 	C29H47N11O15S	821.2974	NA	PeJP	NA	NA
+PJ044187	SNDDWW 	C37H43N9O13	821.2981	NA	PeJP	NA	NA
+PJ044188	GSPPCCCR 	C30H51N11O10S3	821.2983	NA	PeJP	NA	NA
+PJ044189	PCCQWW 	C38H47N9O8S2	821.2989	NA	PeJP	NA	NA
+PJ044190	NNEEMW 	C34H47N9O13S	821.3014	NA	PeJP	NA	NA
+PJ044191	GGGGEEMW 	C34H47N9O13S	821.3015	NA	PeJP	NA	NA
+PJ044192	SMMMHW 	C35H51N9O8S3	821.3023	NA	PeJP	NA	NA
+PJ044193	SSNQEEE 	C30H47N9O18	821.3039	NA	PeJP	NA	NA
+PJ044194	GGGGSTEEE 	C30H47N9O18	821.304	NA	PeJP	NA	NA
+PJ044195	SSTEMMH 	C31H51N9O13S2	821.3048	NA	PeJP	NA	NA
+PJ044196	GNNDEHH 	C31H43N13O14	821.3053	NA	PeJP	NA	NA
+PJ044197	STCYYW 	C39H47N7O11S	821.3054	NA	PeJP	NA	NA
+PJ044198	GGPCYYY 	C39H47N7O11S	821.3055	NA	PeJP	NA	NA
+PJ044199	AAMMMMH 	C32H55N9O8S4	821.3057	NA	PeJP	NA	NA
+PJ044200	ASCMHHH 	C32H47N13O9S2	821.3061	NA	PeJP	NA	NA
+PJ044201	GTCMHHH 	C32H47N13O9S2	821.3062	NA	PeJP	NA	NA
+PJ044202	SSSSEYY 	C35H47N7O16	821.3079	NA	PeJP	NA	NA
+PJ044203	TEEEEW 	C35H47N7O16	821.308	NA	PeJP	NA	NA
+PJ044204	SCNNNDR 	C28H47N13O14S	821.3086	NA	PeJP	NA	NA
+PJ044205	GGSCNNDR 	C28H47N13O14S	821.3087	NA	PeJP	NA	NA
+PJ044206	PEEMMW 	C36H51N7O11S2	821.3088	NA	PeJP	NA	NA
+PJ044207	GVEEEEM 	C32H51N7O16S	821.3113	NA	PeJP	NA	NA
+PJ044208	SPPEMMM 	C33H55N7O11S3	821.3122	NA	PeJP	NA	NA
+PJ044209	CNDERW 	C33H47N11O12S	821.3127	NA	PeJP	NA	NA
+PJ044210	SSNDDER 	C29H47N11O17	821.3152	NA	PeJP	NA	NA
+PJ044211	SPCNDMR 	C30H51N11O12S2	821.316	NA	PeJP	NA	NA
+PJ044212	GGSPCDMR 	C30H51N11O12S2	821.3161	NA	PeJP	NA	NA
+PJ044213	GNEMWW 	C38H47N9O10S	821.3167	NA	PeJP	NA	NA
+PJ044214	GSSQEEW 	C34H47N9O15	821.3192	NA	PeJP	NA	NA
+PJ044215	GSPNMMW 	C35H51N9O10S2	821.3201	NA	PeJP	NA	NA
+PJ044216	NNDHHW 	C35H43N13O11	821.3205	NA	PeJP	NA	NA
+PJ044217	GGGGDHHW 	C35H43N13O11	821.3206	NA	PeJP	NA	NA
+PJ044218	GCFFYW 	C43H47N7O8S	821.3207	NA	PeJP	NA	NA
+PJ044219	EEEEMR 	C31H51N9O15S	821.3226	NA	PeJP	NA	NA
+PJ044220	PDEEFW 	C39H47N7O13	821.3232	NA	PeJP	NA	NA
+PJ044221	ATTMMMH 	C32H55N9O10S3	821.3234	NA	PeJP	NA	NA
+PJ044222	GGGAAPMMM 	C32H55N9O10S3	821.3235	NA	PeJP	NA	NA
+PJ044223	SSSMHHH 	C32H47N13O11S	821.3239	NA	PeJP	NA	NA
+PJ044224	CQMFFF 	C40H51N7O8S2	821.3241	NA	PeJP	NA	NA
+PJ044225	VEEEMW 	C36H51N7O13S	821.3266	NA	PeJP	NA	NA
+PJ044226	GCNNQMR 	C29H51N13O11S2	821.3273	NA	PeJP	NA	NA
+PJ044227	CKMMFY 	C37H55N7O8S3	821.3275	NA	PeJP	NA	NA
+PJ044228	GCDRWW 	C37H47N11O9S	821.3279	NA	PeJP	NA	NA
+PJ044229	SSLEEEE 	C32H51N7O18	821.3291	NA	PeJP	NA	NA
+PJ044230	SPVEEMM 	C33H55N7O13S2	821.33	NA	PeJP	NA	NA
+PJ044231	GSSDDRW 	C33H47N11O14	821.3304	NA	PeJP	NA	NA
+PJ044232	GGGGGGGGSPY 	C33H47N11O14	821.3305	NA	PeJP	NA	NA
+PJ044233	PPCLMMM 	C34H59N7O8S4	821.3308	NA	PeJP	NA	NA
+PJ044234	GPTCCRW 	C34H51N11O9S2	821.3313	NA	PeJP	NA	NA
+PJ044235	NMWWW 	C42H47N9O7S	821.3319	NA	PeJP	NA	NA
+PJ044236	GGMWWW 	C42H47N9O7S	821.332	NA	PeJP	NA	NA
+PJ044237	GSNEEMR 	C30H51N11O14S	821.3338	NA	PeJP	NA	NA
+PJ044238	SSQEWW 	C38H47N9O12	821.3344	NA	PeJP	NA	NA
+MJ095459	Pacidamycin 7 	C38H47N9O12	821.334418	NA	MeJP	NA	NA
+PJ044239	GGPNEYW 	C38H47N9O12	821.3345	NA	PeJP	NA	NA
+PJ044240	GPCQMMR 	C31H55N11O9S3	821.3347	NA	PeJP	NA	NA
+PJ044241	PCCKWW 	C39H51N9O7S2	821.3353	NA	PeJP	NA	NA
+PJ044242	NDKEMW 	C35H51N9O12S	821.3378	NA	PeJP	NA	NA
+PJ044243	QYYYW 	C43H47N7O10	821.3385	NA	PeJP	NA	NA
+PJ044244	NMHHHF 	C36H47N13O8S	821.3392	NA	PeJP	NA	NA
+PJ044245	SSNKEEE 	C31H51N9O17	821.3403	NA	PeJP	NA	NA
+PJ044246	TTTTMMH 	C32H55N9O12S2	821.3412	NA	PeJP	NA	NA
+PJ044247	DEEHHR 	C32H47N13O13	821.3417	NA	PeJP	NA	NA
+PJ044248	PPEMYW 	C40H51N7O10S	821.3418	NA	PeJP	NA	NA
+PJ044249	SSTTTYY 	C36H51N7O15	821.3443	NA	PeJP	NA	NA
+PJ044250	GPVEEEY 	C36H51N7O15	821.3444	NA	PeJP	NA	NA
+PJ044251	GSCDERR 	C29H51N13O13S	821.345	NA	PeJP	NA	NA
+PJ044252	GGGGGGSSMR 	C29H51N13O13S	821.3451	NA	PeJP	NA	NA
+PJ044253	SKMMYY 	C37H55N7O10S2	821.3452	NA	PeJP	NA	NA
+PJ044254	NNNQFW 	C37H47N11O11	821.3457	NA	PeJP	NA	NA
+PJ044255	GPCCMRR 	C30H55N13O8S3	821.3459	NA	PeJP	NA	NA
+PJ044256	ATLEEEM 	C33H55N7O15S	821.3477	NA	PeJP	NA	NA
+PJ044257	APLEMMM 	C34H59N7O10S3	821.3486	NA	PeJP	NA	NA
+PJ044258	SNEMRW 	C34H51N11O11S	821.349	NA	PeJP	NA	NA
+PJ044259	GGSEMRW 	C34H51N11O11S	821.3491	NA	PeJP	NA	NA
+PJ044260	GSTWWW 	C42H47N9O9	821.3497	NA	PeJP	NA	NA
+PJ044261	SSSQEER 	C30H51N11O16	821.3515	NA	PeJP	NA	NA
+PJ044262	GGSSTEER 	C30H51N11O16	821.3516	NA	PeJP	NA	NA
+PJ044263	QQEMMR 	C31H55N11O11S2	821.3524	NA	PeJP	NA	NA
+PJ044264	GGGGGGAKMM 	C31H55N11O11S2	821.3525	NA	PeJP	NA	NA
+PJ044265	GSNDHHR 	C31H47N15O12	821.3529	NA	PeJP	NA	NA
+PJ044266	GDKMWW 	C39H51N9O9S	821.3531	NA	PeJP	NA	NA
+PJ044267	GSSKEEW 	C35H51N9O14	821.3556	NA	PeJP	NA	NA
+PJ044268	VQQMMW 	C36H55N9O9S2	821.3564	NA	PeJP	NA	NA
+PJ044269	GGLQMMW 	C36H55N9O9S2	821.3565	NA	PeJP	NA	NA
+PJ044270	SQQHHW 	C36H47N13O10	821.3569	NA	PeJP	NA	NA
+PJ044271	ASQKEEM 	C32H55N9O14S	821.3589	NA	PeJP	NA	NA
+PJ044272	GTQKEEM 	C32H55N9O14S	821.359	NA	PeJP	NA	NA
+PJ044273	PVEEYW 	C40H51N7O12	821.3596	NA	PeJP	NA	NA
+PJ044274	GPQKMMM 	C33H59N9O9S3	821.3598	NA	PeJP	NA	NA
+PJ044275	SCDRRW 	C33H51N13O10S	821.3603	NA	PeJP	NA	NA
+PJ044276	CKMFFF 	C41H55N7O7S2	821.3605	NA	PeJP	NA	NA
+PJ044277	SSSDDRR 	C29H51N13O15	821.3628	NA	PeJP	NA	NA
+PJ044278	SPPVEMY 	C37H55N7O12S	821.363	NA	PeJP	NA	NA
+PJ044279	NDMMRR 	C30H55N13O10S2	821.3637	NA	PeJP	NA	NA
+PJ044280	GSMRWW 	C38H51N11O8S	821.3643	NA	PeJP	NA	NA
+PJ044281	HFFWW 	C46H47N9O6	821.365	NA	PeJP	NA	NA
+PJ044282	TTTLEEE 	C33H55N7O17	821.3655	NA	PeJP	NA	NA
+PJ044283	AVLEEMM 	C34H59N7O12S2	821.3663	NA	PeJP	NA	NA
+PJ044284	GLLEEMM 	C34H59N7O12S2	821.3664	NA	PeJP	NA	NA
+PJ044285	GSSTERW 	C34H51N11O13	821.3668	NA	PeJP	NA	NA
+PJ044286	AQMMRW 	C35H55N11O8S2	821.3677	NA	PeJP	NA	NA
+PJ044287	GPTHHHH 	C35H47N15O9	821.3682	NA	PeJP	NA	NA
+PJ044288	GSDKEMR 	C31H55N11O13S	821.3702	NA	PeJP	NA	NA
+PJ044289	SSKEWW 	C39H51N9O11	821.3708	NA	PeJP	NA	NA
+PJ044290	GGGGLEFW 	C39H51N9O11	821.3709	NA	PeJP	NA	NA
+PJ044291	GPCKMMR 	C32H59N11O8S3	821.3711	NA	PeJP	NA	NA
+PJ044292	NQMHHR 	C32H51N15O9S	821.3715	NA	PeJP	NA	NA
+PJ044293	TQKEMW 	C36H55N9O11S	821.3742	NA	PeJP	NA	NA
+PJ044294	KYYYW 	C44H51N7O9	821.3748	NA	PeJP	NA	NA
+PJ044295	PPPYYW 	C44H51N7O9	821.3749	NA	PeJP	NA	NA
+PJ044296	SSDKKEE 	C32H55N9O16	821.3767	NA	PeJP	NA	NA
+PJ044297	GVQKEMM 	C33H59N9O11S2	821.3776	NA	PeJP	NA	NA
+PJ044298	NNQQRY 	C33H51N13O12	821.378	NA	PeJP	NA	NA
+PJ044299	GGGGQQRY 	C33H51N13O12	821.3781	NA	PeJP	NA	NA
+PJ044300	PLEMFW 	C41H55N7O9S	821.3782	NA	PeJP	NA	NA
+PJ044301	ACMRRW 	C34H55N13O7S2	821.3789	NA	PeJP	NA	NA
+MJ095460	Formestin A; 1'''-Deoxy 	C37H55N7O14	821.380699	NA	MeJP	NA	NA
+PJ044302	APTLEEY 	C37H55N7O14	821.3807	NA	PeJP	NA	NA
+PJ044303	GSSEMRR 	C30H55N13O12S	821.3814	NA	PeJP	NA	NA
+PJ044304	LLEMMW 	C38H59N7O9S2	821.3816	NA	PeJP	NA	NA
+PJ044305	SSTRWW 	C38H51N11O10	821.3821	NA	PeJP	NA	NA
+PJ044306	CNHHRR 	C31H51N17O8S	821.3828	NA	PeJP	NA	NA
+PJ044307	STLLEEM 	C34H59N7O14S	821.3841	NA	PeJP	NA	NA
+PJ044308	SPLLMMM 	C35H63N7O9S3	821.385	NA	PeJP	NA	NA
+PJ044309	SDKMRW 	C35H55N11O10S	821.3854	NA	PeJP	NA	NA
+PJ044310	GGGSCKKW 	C35H55N11O10S	821.3855	NA	PeJP	NA	NA
+PJ044311	GVQFWW 	C43H51N9O8	821.3861	NA	PeJP	NA	NA
+PJ044312	SSSKEER 	C31H55N11O15	821.3879	NA	PeJP	NA	NA
+PJ044313	GGGGGSTTTK 	C31H55N11O15	821.388	NA	PeJP	NA	NA
+PJ044314	QKEMMR 	C32H59N11O10S2	821.3888	NA	PeJP	NA	NA
+PJ044315	GSTQHHR 	C32H51N15O11	821.3893	NA	PeJP	NA	NA
+PJ044316	ATKMWW 	C40H55N9O8S	821.3895	NA	PeJP	NA	NA
+PJ044317	SSTTLQW 	C36H55N9O13	821.3919	NA	PeJP	NA	NA
+PJ044318	GTTTKEW 	C36H55N9O13	821.392	NA	PeJP	NA	NA
+PJ044319	VQKMMW 	C37H59N9O8S2	821.3928	NA	PeJP	NA	NA
+PJ044320	SQKHHW 	C37H51N13O9	821.3933	NA	PeJP	NA	NA
+PJ044321	GTKKEEM 	C33H59N9O13S	821.3953	NA	PeJP	NA	NA
+PJ044322	VLEEFW 	C41H55N7O11	821.396	NA	PeJP	NA	NA
+PJ044323	GPKKMMM 	C34H63N9O8S3	821.3962	NA	PeJP	NA	NA
+PJ044324	SSMRRW 	C34H55N13O9S	821.3967	NA	PeJP	NA	NA
+PJ044325	QFRWW 	C42H51N11O7	821.3973	NA	PeJP	NA	NA
+PJ044326	SSSTERR 	C30H55N13O14	821.3992	NA	PeJP	NA	NA
+PJ044327	PPTTLMY 	C38H59N7O11S	821.3993	NA	PeJP	NA	NA
+PJ044328	GPLLEMY 	C38H59N7O11S	821.3994	NA	PeJP	NA	NA
+PJ044329	TQMMRR 	C31H59N13O9S2	821.4	NA	PeJP	NA	NA
+PJ044330	GATMMRR 	C31H59N13O9S2	821.4001	NA	PeJP	NA	NA
+PJ044331	VLMHHW 	C39H55N11O7S	821.4007	NA	PeJP	NA	NA
+PJ044332	SVLLEMM 	C35H63N7O11S2	821.4027	NA	PeJP	NA	NA
+PJ044333	SSSSLRW 	C35H55N11O12	821.4032	NA	PeJP	NA	NA
+PJ044334	AKMMRW 	C36H59N11O7S2	821.4041	NA	PeJP	NA	NA
+PJ044335	AALHHHH 	C36H51N15O8	821.4045	NA	PeJP	NA	NA
+PJ044336	GVVHHHH 	C36H51N15O8	821.4046	NA	PeJP	NA	NA
+PJ044337	GTTKEMR 	C32H59N11O12S	821.4066	NA	PeJP	NA	NA
+PJ044338	TTTKWW 	C40H55N9O10	821.4072	NA	PeJP	NA	NA
+PJ044339	GPPCHRR 	C33H55N15O8S	821.4079	NA	PeJP	NA	NA
+PJ044340	TKKEMW 	C37H59N9O10S	821.4106	NA	PeJP	NA	NA
+PJ044341	PPLFYW 	C45H55N7O8	821.4112	NA	PeJP	NA	NA
+PJ044342	TCMRRR 	C30H59N15O8S2	821.4113	NA	PeJP	NA	NA
+PJ044343	STTKKEE 	C33H59N9O15	821.4131	NA	PeJP	NA	NA
+PJ044344	GVKKEMM 	C34H63N9O10S2	821.414	NA	PeJP	NA	NA
+PJ044345	AQERRY 	C34H55N13O11	821.4144	NA	PeJP	NA	NA
+PJ044346	GGGGGAKRY 	C34H55N13O11	821.4145	NA	PeJP	NA	NA
+PJ044347	PLLMYW 	C42H59N7O8S	821.4146	NA	PeJP	NA	NA
+PJ044348	VHHHHR 	C35H51N17O7	821.4158	NA	PeJP	NA	NA
+PJ044349	GVLLEEY 	C38H59N7O13	821.4171	NA	PeJP	NA	NA
+PJ044350	GTTTMRR 	C31H59N13O11S	821.4178	NA	PeJP	NA	NA
+PJ044351	APLLMMF 	C39H63N7O8S2	821.418	NA	PeJP	NA	NA
+PJ044352	GLQRYW 	C39H55N11O9	821.4185	NA	PeJP	NA	NA
+PJ044353	ALLLMMM 	C36H67N7O8S3	821.4214	NA	PeJP	NA	NA
+PJ044354	TTKMRW 	C36H59N11O9S	821.4218	NA	PeJP	NA	NA
+PJ044355	GVKFWW 	C44H55N9O7	821.4225	NA	PeJP	NA	NA
+PJ044356	STTTKER 	C32H59N11O14	821.4243	NA	PeJP	NA	NA
+PJ044357	KKEMMR 	C33H63N11O9S2	821.4252	NA	PeJP	NA	NA
+PJ044358	GDRRRY 	C33H55N15O10	821.4257	NA	PeJP	NA	NA
+PJ044359	LKMHFF 	C41H59N9O7S	821.4259	NA	PeJP	NA	NA
+PJ044360	SSTTLKW 	C37H59N9O12	821.4283	NA	PeJP	NA	NA
+PJ044361	LLEERY 	C37H59N9O12	821.4284	NA	PeJP	NA	NA
+PJ044362	VKKMMW 	C38H63N9O7S2	821.4292	NA	PeJP	NA	NA
+PJ044363	AARRYW 	C38H55N13O8	821.4297	NA	PeJP	NA	NA
+PJ044364	SSLKKEM 	C34H63N9O12S	821.4317	NA	PeJP	NA	NA
+PJ044365	VLLEYW 	C42H59N7O10	821.4324	NA	PeJP	NA	NA
+PJ044366	PCKRRY 	C35H59N13O8S	821.4331	NA	PeJP	NA	NA
+PJ044367	KFRWW 	C43H55N11O6	821.4337	NA	PeJP	NA	NA
+PJ044368	STTTTRR 	C31H59N13O13	821.4355	NA	PeJP	NA	NA
+PJ044369	SPVLLMY 	C39H63N7O10S	821.4357	NA	PeJP	NA	NA
+PJ044370	GLLLEMF 	C39H63N7O10S	821.4358	NA	PeJP	NA	NA
+PJ044371	TKMMRR 	C32H63N13O8S2	821.4364	NA	PeJP	NA	NA
+PJ044372	TTLLLMM 	C36H67N7O10S2	821.4391	NA	PeJP	NA	NA
+PJ044373	VQKERY 	C36H59N11O11	821.4396	NA	PeJP	NA	NA
+PJ044374	APHRRW 	C37H55N15O7	821.4409	NA	PeJP	NA	NA
+PJ044375	SSTLKMR 	C33H63N11O11S	821.4429	NA	PeJP	NA	NA
+PJ044376	GGSSKKKM 	C33H63N11O11S	821.443	NA	PeJP	NA	NA
+PJ044377	PTKKYW 	C41H59N9O9	821.4436	NA	PeJP	NA	NA
+PJ044378	GMFRRR 	C34H59N15O7S	821.4443	NA	PeJP	NA	NA
+PJ044379	GPVKKMY 	C38H63N9O9S	821.447	NA	PeJP	NA	NA
+PJ044380	PLLFFW 	C46H59N7O7	821.4476	NA	PeJP	NA	NA
+PJ044381	SSSSTLLK 	C34H63N9O14	821.4495	NA	PeJP	NA	NA
+PJ044382	SVVKKMM 	C35H67N9O9S2	821.4503	NA	PeJP	NA	NA
+PJ044383	ATLKKMM 	C35H67N9O9S2	821.4504	NA	PeJP	NA	NA
+PJ044384	AKERRY 	C35H59N13O10	821.4508	NA	PeJP	NA	NA
+PJ044385	LLLMFW 	C43H63N7O7S	821.451	NA	PeJP	NA	NA
+PJ044386	ATLLLEY 	C39H63N7O12	821.4535	NA	PeJP	NA	NA
+PJ044387	GLKRYW 	C40H59N11O8	821.4548	NA	PeJP	NA	NA
+PJ044388	GPPPLRW 	C40H59N11O8	821.4549	NA	PeJP	NA	NA
+PJ044389	PKKMRY 	C37H63N11O8S	821.4582	NA	PeJP	NA	NA
+PJ044390	GSSSTKKK 	C33H63N11O13	821.4607	NA	PeJP	NA	NA
+PJ044391	GCKKKKM 	C34H67N11O8S2	821.4616	NA	PeJP	NA	NA
+PJ044392	ATRRRY 	C34H59N15O9	821.4621	NA	PeJP	NA	NA
+PJ044393	AALKKEY 	C38H63N9O11	821.4647	NA	PeJP	NA	NA
+PJ044394	AAPPPLKE 	C38H63N9O11	821.4648	NA	PeJP	NA	NA
+PJ044395	PVKHRW 	C39H59N13O7	821.4661	NA	PeJP	NA	NA
+PJ044396	TTTLKKM 	C35H67N9O11S	821.4681	NA	PeJP	NA	NA
+PJ044397	GPLLLFY 	C43H63N7O9	821.4688	NA	PeJP	NA	NA
+PJ044398	CLKFRR 	C36H63N13O7S	821.4695	NA	PeJP	NA	NA
+PJ044399	GLLLLMY 	C40H67N7O9S	821.4721	NA	PeJP	NA	NA
+PJ044400	PTHRRR 	C33H59N17O8	821.4733	NA	PeJP	NA	NA
+PJ044401	VKKERY 	C37H63N11O10	821.476	NA	PeJP	NA	NA
+PJ044402	STCKKKK 	C34H67N11O10S	821.4793	NA	PeJP	NA	NA
+PJ044403	VVKKYW 	C42H63N9O8	821.48	NA	PeJP	NA	NA
+PJ044404	GVLKKMF 	C39H67N9O8S	821.4834	NA	PeJP	NA	NA
+PJ044405	SLKRRY 	C36H63N13O9	821.4872	NA	PeJP	NA	NA
+PJ044406	STLLLLY 	C40H67N7O11	821.4899	NA	PeJP	NA	NA
+PJ044407	PKKFFR 	C41H63N11O7	821.4912	NA	PeJP	NA	NA
+MJ095461	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C44H71NO13	821.492541	NA	MeJP	NA	NA
+MJ095462	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Glucopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C44H71NO13	821.492541	NA	MeJP	NA	NA
+PJ044408	LKKMFR 	C38H67N11O7S	821.4946	NA	PeJP	NA	NA
+PJ044409	LLQHRR 	C35H63N15O8	821.4984	NA	PeJP	NA	NA
+PJ044410	GALLHRR 	C35H63N15O8	821.4985	NA	PeJP	NA	NA
+PJ044411	GTLLKKY 	C39H67N9O10	821.5011	NA	PeJP	NA	NA
+PJ044412	AVLLLFF 	C44H67N7O8	821.5051	NA	PeJP	NA	NA
+PJ044413	GLLLLFF 	C44H67N7O8	821.5052	NA	PeJP	NA	NA
+PJ044414	VVHRRR 	C34H63N17O7	821.5097	NA	PeJP	NA	NA
+PJ044415	QKKKKY 	C38H67N11O9	821.5124	NA	PeJP	NA	NA
+PJ044416	APPLLRR 	C37H67N13O8	821.5236	NA	PeJP	NA	NA
+MJ095463	Meridamycin 	C45H75NO12	821.528926	NA	MeJP	NA	NA
+MJ095464	Scytophycin A 	C45H75NO12	821.528926	NA	MeJP	NA	NA
+MJ095465	Scytophycin C; 16-Hydroxy 	C45H75NO12	821.528926	NA	MeJP	NA	NA
+MJ095466	Scytophycin C; 34-Hydroxy 	C45H75NO12	821.528926	NA	MeJP	NA	NA
+PJ044417	LLKHRR 	C36H67N15O7	821.5348	NA	PeJP	NA	NA
+PJ044418	TLLLLLH 	C40H71N9O9	821.5375	NA	PeJP	NA	NA
+PJ044419	KKKKKY 	C39H71N11O8	821.5487	NA	PeJP	NA	NA
+HMDB09212	PE(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09241	PE(20:0/22:5(4Z,7Z,10Z,13Z,16Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09242	PE(20:0/22:5(7Z,10Z,13Z,16Z,19Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09273	PE(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09338	PE(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09371	PE(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09403	PE(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09436	PE(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09468	PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09500	PE(22:0/20:5(5Z,8Z,11Z,14Z,17Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09531	PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09532	PE(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09562	PE(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09563	PE(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09593	PE(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09625	PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09658	PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB09756	PE(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	C47H84NO8P	821.593445	NA	HMDB2010	NA	NA
+HMDB08653	PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)	C48H88NO7P	821.629822	NA	HMDB2010	NA	NA
+HMDB11259	PC(P-18:0/22:4(7Z,10Z,13Z,16Z))	C48H88NO7P	821.629822	NA	HMDB2010	NA	NA
+HMDB13444	PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C48H88NO7P	821.629822	NA	HMDB2010	NA	NA
+MJ095467	Tetraiodophenolphthalein 	C20H10I4O4	821.675782	NA	MeJP	NA	NA
+PJ044420	GCCCCCCE 	C25H42N8O11S6	822.1298	NA	PeJP	NA	NA
+PJ044421	CCCCCCW 	C29H42N8O8S6	822.145	NA	PeJP	NA	NA
+PJ044422	SSCCCCCD 	C25H42N8O13S5	822.1475	NA	PeJP	NA	NA
+PJ044423	GTCCCCCM 	C26H46N8O10S6	822.1662	NA	PeJP	NA	NA
+PJ044424	CCCCNDY 	C29H42N8O12S4	822.1805	NA	PeJP	NA	NA
+PJ044425	SSSCCCCM 	C26H46N8O12S5	822.1839	NA	PeJP	NA	NA
+PJ044426	CCCCNMF 	C30H46N8O9S5	822.1992	NA	PeJP	NA	NA
+PJ044427	CCCNDEH 	C28H42N10O13S3	822.2095	NA	PeJP	NA	NA
+PJ044428	NDDDDDD 	C28H38N8O21	822.2152	NA	PeJP	NA	NA
+PJ044429	SCCCNMY 	C30H46N8O11S4	822.2169	NA	PeJP	NA	NA
+PJ044430	GCCCDHW 	C32H42N10O10S3	822.2248	NA	PeJP	NA	NA
+PJ044431	GSSCCDDH 	C28H42N10O15S2	822.2273	NA	PeJP	NA	NA
+PJ044432	GPTCCCCH 	C29H46N10O10S4	822.2282	NA	PeJP	NA	NA
+MJ095468	Antibiotic RS 10 	C29H42N8O18S	822.233777	NA	MeJP	NA	NA
+PJ044433	GSPCDDDD 	C29H42N8O18S	822.2338	NA	PeJP	NA	NA
+PJ044434	GSSTCCCY 	C30H46N8O13S3	822.2347	NA	PeJP	NA	NA
+MJ095469	Sucrose; 1',3',6'-Tris-O-(4-hydroxy-E-cinnamoyl), 2-Ac 	C41H42O18	822.237114	NA	MeJP	NA	NA
+PJ044435	CNNNDDE 	C28H42N10O17S	822.245	NA	PeJP	NA	NA
+PJ044436	GGCNNDDE 	C28H42N10O17S	822.2451	NA	PeJP	NA	NA
+PJ044437	SCCNEMH 	C29H46N10O12S3	822.2459	NA	PeJP	NA	NA
+PJ044438	PPCCCDW 	C34H46N8O10S3	822.2499	NA	PeJP	NA	NA
+PJ044439	SNDDDEE 	C29H42N8O20	822.2516	NA	PeJP	NA	NA
+PJ044440	SSSSSCCY 	C30H46N8O15S2	822.2524	NA	PeJP	NA	NA
+PJ044441	GGPCDDEM 	C30H46N8O15S2	822.2525	NA	PeJP	NA	NA
+PJ044442	TCCCCKY 	C31H50N8O10S4	822.2533	NA	PeJP	NA	NA
+PJ044443	CDEMYY 	C35H46N6O13S2	822.2565	NA	PeJP	NA	NA
+PJ044444	SCCCDHR 	C28H46N12O11S3	822.2571	NA	PeJP	NA	NA
+PJ044445	GCNNDDW 	C32H42N10O14S	822.2603	NA	PeJP	NA	NA
+PJ044446	GSCCMHW 	C33H46N10O9S3	822.2612	NA	PeJP	NA	NA
+PJ044447	GSSNNDDD 	C28H42N10O19	822.2628	NA	PeJP	NA	NA
+PJ044448	PCCDDDR 	C29H46N10O14S2	822.2637	NA	PeJP	NA	NA
+PJ044449	GCNMMMH 	C30H50N10O9S4	822.2645	NA	PeJP	NA	NA
+PJ044450	GGGCMMMH 	C30H50N10O9S4	822.2646	NA	PeJP	NA	NA
+PJ044451	GSDDDEW 	C33H42N8O17	822.2668	NA	PeJP	NA	NA
+PJ044452	GPCDDMW 	C34H46N8O12S2	822.2677	NA	PeJP	NA	NA
+PJ044453	GNDEEEM 	C30H46N8O17S	822.2702	NA	PeJP	NA	NA
+PJ044454	GSPPCCEM 	C31H50N8O12S3	822.2711	NA	PeJP	NA	NA
+PJ044455	CNNNNNM 	C28H46N12O13S2	822.2749	NA	PeJP	NA	NA
+PJ044456	CEMMFY 	C36H50N6O10S3	822.2751	NA	PeJP	NA	NA
+PJ044457	ACCCMHR 	C29H50N12O8S4	822.2758	NA	PeJP	NA	NA
+PJ044458	SSTCCHW 	C33H46N10O11S2	822.2789	NA	PeJP	NA	NA
+PJ044459	GDDDDMR 	C29H46N10O16S	822.2814	NA	PeJP	NA	NA
+PJ044460	GGGGGGSDEM 	C29H46N10O16S	822.2815	NA	PeJP	NA	NA
+PJ044461	SDDDWW 	C37H42N8O14	822.2821	NA	PeJP	NA	NA
+PJ044462	SSCQMMH 	C30H50N10O11S3	822.2823	NA	PeJP	NA	NA
+PJ044463	PCCEWW 	C38H46N8O9S2	822.283	NA	PeJP	NA	NA
+PJ044464	SSPCDEW 	C34H46N8O14S	822.2854	NA	PeJP	NA	NA
+PJ044465	NDEEMW 	C34H46N8O14S	822.2855	NA	PeJP	NA	NA
+PJ044466	SPPCCMW 	C35H50N8O9S3	822.2863	NA	PeJP	NA	NA
+PJ044467	SSNEEEE 	C30H46N8O19	822.2879	NA	PeJP	NA	NA
+PJ044468	GGSSEEEE 	C30H46N8O19	822.288	NA	PeJP	NA	NA
+PJ044469	SPNDEMM 	C31H50N8O14S2	822.2888	NA	PeJP	NA	NA
+PJ044470	GNDDEHH 	C31H42N12O15	822.2893	NA	PeJP	NA	NA
+PJ044471	PCDYYY 	C39H46N6O12S	822.2895	NA	PeJP	NA	NA
+PJ044472	PPCNMMM 	C32H54N8O9S4	822.2897	NA	PeJP	NA	NA
+PJ044473	SCNNDDR 	C28H46N12O15S	822.2927	NA	PeJP	NA	NA
+PJ044474	SEMMYY 	C36H50N6O12S2	822.2928	NA	PeJP	NA	NA
+PJ044475	SSCCMHR 	C29H50N12O10S3	822.2935	NA	PeJP	NA	NA
+PJ044476	GGGAPCCCR 	C29H50N12O10S3	822.2936	NA	PeJP	NA	NA
+PJ044477	CCQHFW 	C37H46N10O8S2	822.2942	NA	PeJP	NA	NA
+FL5FABGI0013	Epimedin C	C39H50O19	822.29462	110642-44-9	knapsack	NA	NA
+FL5FABGI0014	Hexandraside D	C39H50O19	822.29462	137218-02-1	knapsack	NA	NA
+MJ095470	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-(fucopyranosyl-?-L-rhamnoside), 7-O-?-D-glucopyranoside 	C39H50O19	822.294629	NA	MeJP	NA	NA
+MJ095471	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C39H50O19	822.294629	NA	MeJP	NA	NA
+MJ095472	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C39H50O19	822.294629	NA	MeJP	NA	NA
+PJ044478	CDDERW 	C33H46N10O13S	822.2967	NA	PeJP	NA	NA
+PJ044479	SSDDDER 	C29H46N10O18	822.2992	NA	PeJP	NA	NA
+PJ044480	SSSSCCLH 	C30H50N10O13S2	822.3	NA	PeJP	NA	NA
+PJ044481	SPCDDMR 	C30H50N10O13S2	822.3001	NA	PeJP	NA	NA
+PJ044482	GDEMWW 	C38H46N8O11S	822.3007	NA	PeJP	NA	NA
+PJ044483	ACCKMMH 	C31H54N10O8S4	822.3009	NA	PeJP	NA	NA
+PJ044484	GSSEEEW 	C34H46N8O16	822.3032	NA	PeJP	NA	NA
+PJ044485	GSPDMMW 	C35H50N8O11S2	822.3041	NA	PeJP	NA	NA
+PJ044486	NDDHHW 	C35H42N12O12	822.3046	NA	PeJP	NA	NA
+PJ044487	GTQEEEM 	C31H50N8O16S	822.3066	NA	PeJP	NA	NA
+PJ044488	GEEYYY 	C39H46N6O14	822.3072	NA	PeJP	NA	NA
+PJ044489	APNEMMM 	C32H54N8O11S3	822.3074	NA	PeJP	NA	NA
+PJ044490	GPQEMMM 	C32H54N8O11S3	822.3075	NA	PeJP	NA	NA
+PJ044491	SPCNEHH 	C32H46N12O12S	822.3079	NA	PeJP	NA	NA
+PJ044492	PCMFYY 	C40H50N6O9S2	822.3081	NA	PeJP	NA	NA
+PJ044493	MMMHHH 	C33H50N12O7S3	822.3088	NA	PeJP	NA	NA
+MJ095473	Saquayamycin A; 2'',3''-Dihydro 	C43H50O16	822.309885	NA	MeJP	NA	NA
+MJ095474	Saquayamycin A; 2C,3C-Dihydro 	C43H50O16	822.309885	NA	MeJP	NA	NA
+MJ095475	Saquayamycin B; 4D''?-Alcohol 	C43H50O16	822.309885	NA	MeJP	NA	NA
+PJ044494	SSSSNNNN 	C28H46N12O17	822.3104	NA	PeJP	NA	NA
+PJ044495	GCNNEMR 	C29H50N12O12S2	822.3113	NA	PeJP	NA	NA
+PJ044496	CLMMYY 	C37H54N6O9S3	822.3115	NA	PeJP	NA	NA
+PJ044497	SCNQWW 	C37H46N10O10S	822.3119	NA	PeJP	NA	NA
+PJ044498	GGGGTCWW 	C37H46N10O10S	822.312	NA	PeJP	NA	NA
+PJ044499	SSSNNEW 	C33H46N10O15	822.3144	NA	PeJP	NA	NA
+PJ044500	GGGGSSSEW 	C33H46N10O15	822.3145	NA	PeJP	NA	NA
+PJ044501	NNQMMW 	C34H50N10O10S2	822.3153	NA	PeJP	NA	NA
+PJ044502	DMWWW 	C42H46N8O8S	822.316	NA	PeJP	NA	NA
+PJ044503	GSDEEMR 	C30H50N10O15S	822.3178	NA	PeJP	NA	NA
+PJ044504	SNNYYY 	C38H46N8O13	822.3184	NA	PeJP	NA	NA
+PJ044505	SSEEWW 	C38H46N8O13	822.3185	NA	PeJP	NA	NA
+PJ044506	GPCEMMR 	C31H54N10O10S3	822.3187	NA	PeJP	NA	NA
+PJ044507	ACNNQHH 	C31H46N14O11S	822.3191	NA	PeJP	NA	NA
+PJ044508	GNNNMHH 	C31H46N14O11S	822.3192	NA	PeJP	NA	NA
+PJ044509	PTCMWW 	C39H50N8O8S2	822.3193	NA	PeJP	NA	NA
+MJ095476	Prepatellamide B formate 	C39H50N8O8S2	822.319301	NA	MeJP	NA	NA
+PJ044510	TQEEMW 	C35H50N8O13S	822.3218	NA	PeJP	NA	NA
+PJ044511	GGGPEEMF 	C35H50N8O13S	822.3219	NA	PeJP	NA	NA
+PJ044512	EYYYW 	C43H46N6O11	822.3225	NA	PeJP	NA	NA
+PJ044513	PQMMMW 	C36H54N8O8S3	822.3227	NA	PeJP	NA	NA
+PJ044514	GSPCHHW 	C36H46N12O9S	822.3232	NA	PeJP	NA	NA
+PJ044515	SSDKEEE 	C31H50N8O18	822.3243	NA	PeJP	NA	NA
+PJ044516	GVQEEMM 	C32H54N8O13S2	822.3252	NA	PeJP	NA	NA
+PJ044517	GNNNNQY 	C32H46N12O14	822.3257	NA	PeJP	NA	NA
+PJ044518	SPMYYY 	C40H50N6O11S	822.3258	NA	PeJP	NA	NA
+PJ044519	TDMFFY 	C40H50N6O11S	822.3259	NA	PeJP	NA	NA
+PJ044520	CNNMRW 	C33H50N12O9S2	822.3265	NA	PeJP	NA	NA
+PJ044521	GGCNMRW 	C33H50N12O9S2	822.3266	NA	PeJP	NA	NA
+PJ044522	SSNNDMR 	C29H50N12O14S	822.329	NA	PeJP	NA	NA
+PJ044523	GGSSNDMR 	C29H50N12O14S	822.3291	NA	PeJP	NA	NA
+PJ044524	GSSSNWW 	C37H46N10O12	822.3297	NA	PeJP	NA	NA
+PJ044525	PCCCNKR 	C30H54N12O9S3	822.3299	NA	PeJP	NA	NA
+PJ044526	CCKHFW 	C38H50N10O7S2	822.3306	NA	PeJP	NA	NA
+MJ095477	Phyllanthocic acid; 7,14-Deepoxy, 7,14-dihydroxy, [3-O-acetyl-6-deoxy-?-D-glucopyranosyl-(1?2)-3-O-acetyl-6-deoxy-?-D-glucopyranosyl] ester 	C40H54O18	822.331014	NA	MeJP	NA	NA
+PJ044527	SDEMRW 	C34H50N10O12S	822.3331	NA	PeJP	NA	NA
+PJ044528	GPDYWW 	C42H46N8O10	822.3337	NA	PeJP	NA	NA
+PJ044529	PCMMRW 	C35H54N10O7S3	822.3339	NA	PeJP	NA	NA
+PJ044530	SSSEEER 	C30H50N10O17	822.3356	NA	PeJP	NA	NA
+MJ095478	Verticillomycin 	C46H50N2O12	822.336375	NA	MeJP	NA	NA
+PJ044531	QEEMMR 	C31H54N10O12S2	822.3364	NA	PeJP	NA	NA
+PJ044532	GAEEMMR 	C31H54N10O12S2	822.3365	NA	PeJP	NA	NA
+PJ044533	GSDDHHR 	C31H46N14O13	822.3369	NA	PeJP	NA	NA
+PJ044534	GGGGGGGGGGPH 	C31H46N14O13	822.337	NA	PeJP	NA	NA
+PJ044535	ATEMWW 	C39H50N8O10S	822.3371	NA	PeJP	NA	NA
+PJ044536	APCCHHR 	C32H50N14O8S2	822.3378	NA	PeJP	NA	NA
+PJ044537	GTTTEEW 	C35H50N8O15	822.3396	NA	PeJP	NA	NA
+PJ044538	VQEMMW 	C36H54N8O10S2	822.3405	NA	PeJP	NA	NA
+PJ044539	SQEHHW 	C36H46N12O11	822.3409	NA	PeJP	NA	NA
+PJ044540	GGGPDHHF 	C36H46N12O11	822.341	NA	PeJP	NA	NA
+PJ044541	PCFFFY 	C44H50N6O8S	822.3411	NA	PeJP	NA	NA
+PJ044542	GTKEEEM 	C32H54N8O15S	822.343	NA	PeJP	NA	NA
+PJ044543	SVEYYY 	C40H50N6O13	822.3436	NA	PeJP	NA	NA
+PJ044544	GPKEMMM 	C33H58N8O10S3	822.3438	NA	PeJP	NA	NA
+PJ044545	GSSCQRW 	C33H50N12O11S	822.3443	NA	PeJP	NA	NA
+PJ044546	CLMFFY 	C41H54N6O8S2	822.3445	NA	PeJP	NA	NA
+PJ044547	GNNFWW 	C41H46N10O9	822.345	NA	PeJP	NA	NA
+PJ044548	GSSSSNER 	C29H50N12O16	822.3468	NA	PeJP	NA	NA
+PJ044549	DDMMRR 	C30H54N12O11S2	822.3477	NA	PeJP	NA	NA
+PJ044550	SCNKWW 	C38H50N10O9S	822.3483	NA	PeJP	NA	NA
+PJ044551	SSSNDKW 	C34H50N10O14	822.3508	NA	PeJP	NA	NA
+PJ044552	GGGGGGGLEY 	C34H50N10O14	822.3509	NA	PeJP	NA	NA
+PJ044553	AEMMRW 	C35H54N10O9S2	822.3517	NA	PeJP	NA	NA
+PJ044554	GPMFWW 	C43H50N8O7S	822.3524	NA	PeJP	NA	NA
+PJ044555	GTTEEMR 	C31H54N10O14S	822.3542	NA	PeJP	NA	NA
+PJ044556	TTTEWW 	C39H50N8O12	822.3548	NA	PeJP	NA	NA
+PJ044557	GGVEEFW 	C39H50N8O12	822.3549	NA	PeJP	NA	NA
+PJ044558	GPTMMMR 	C32H58N10O9S3	822.3551	NA	PeJP	NA	NA
+PJ044559	NEMHHR 	C32H50N14O10S	822.3555	NA	PeJP	NA	NA
+PJ044560	GGEMHHR 	C32H50N14O10S	822.3556	NA	PeJP	NA	NA
+PJ044561	GLMMWW 	C40H54N8O7S2	822.3557	NA	PeJP	NA	NA
+PJ044562	GTHHWW 	C40H46N12O8	822.3562	NA	PeJP	NA	NA
+MJ095479	Tolypomycin Y 	C43H54N2O14	822.357504	NA	MeJP	NA	NA
+PJ044563	TKEEMW 	C36H54N8O12S	822.3582	NA	PeJP	NA	NA
+PJ044564	APFYYY 	C44H50N6O10	822.3589	NA	PeJP	NA	NA
+PJ044565	PKMMMW 	C37H58N8O7S3	822.3591	NA	PeJP	NA	NA
+PJ044566	VNMHHW 	C37H50N12O8S	822.3596	NA	PeJP	NA	NA
+MJ095480	Muracein C 	C32H54N8O17	822.360692	NA	MeJP	NA	NA
+PJ044567	STTKEEE 	C32H54N8O17	822.3607	NA	PeJP	NA	NA
+MJ095481	Trishuzakaol A 	C48H54O12	822.361527	NA	MeJP	NA	NA
+PJ044568	GVKEEMM 	C33H58N8O12S2	822.3616	NA	PeJP	NA	NA
+PJ044569	SSSSNRW 	C33H50N12O13	822.3621	NA	PeJP	NA	NA
+PJ044570	ALMYYY 	C41H54N6O10S	822.3622	NA	PeJP	NA	NA
+PJ044571	CCQKRW 	C34H54N12O8S2	822.3629	NA	PeJP	NA	NA
+PJ044572	QQHHHH 	C34H46N16O9	822.3634	NA	PeJP	NA	NA
+PJ044573	SSSQQMR 	C30H54N12O13S	822.3654	NA	PeJP	NA	NA
+PJ044574	SPDRYW 	C38H50N10O11	822.3661	NA	PeJP	NA	NA
+PJ044575	CDHHRR 	C31H50N16O9S	822.3668	NA	PeJP	NA	NA
+PJ044576	GSSQKMW 	C35H54N10O11S	822.3694	NA	PeJP	NA	NA
+PJ044577	TTEMRW 	C35H54N10O11S	822.3695	NA	PeJP	NA	NA
+PJ044578	APTYWW 	C43H50N8O9	822.3701	NA	PeJP	NA	NA
+PJ044579	GMHHRW 	C36H50N14O7S	822.3708	NA	PeJP	NA	NA
+PJ044580	STTTEER 	C31H54N10O16	822.3719	NA	PeJP	NA	NA
+PJ044581	TTTTDER 	C31H54N10O16	822.372	NA	PeJP	NA	NA
+PJ044582	KEEMMR 	C32H58N10O11S2	822.3728	NA	PeJP	NA	NA
+PJ044583	GSTEHHR 	C32H50N14O12	822.3733	NA	PeJP	NA	NA
+PJ044584	STLMWW 	C40H54N8O9S	822.3735	NA	PeJP	NA	NA
+7629	ACE inhibitor from k-CN (fr, 12-17)	EKDERF	822.3739	antioxidative	Inhouse_peptide	NA	peptide
+PJ044585	SSTTLEW 	C36H54N8O14	822.376	NA	PeJP	NA	NA
+PJ044586	SSSCQRR 	C29H54N14O12S	822.3767	NA	PeJP	NA	NA
+PJ044587	ASCLLMW 	C37H58N8O9S2	822.3768	NA	PeJP	NA	NA
+PJ044588	VKEMMW 	C37H58N8O9S2	822.3769	NA	PeJP	NA	NA
+PJ044589	GNQRYW 	C37H50N12O10	822.3773	NA	PeJP	NA	NA
+PJ044590	CLFFFF 	C45H54N6O7S	822.3775	NA	PeJP	NA	NA
+PJ044591	SSLKEEM 	C33H58N8O14S	822.3793	NA	PeJP	NA	NA
+PJ044592	AASTTLEM 	C33H58N8O14S	822.3794	NA	PeJP	NA	NA
+PJ044593	TTLYYY 	C41H54N6O12	822.38	NA	PeJP	NA	NA
+PJ044594	SPVKMMM 	C34H62N8O9S3	822.3802	NA	PeJP	NA	NA
+PJ044595	GSSCKRW 	C34H54N12O10S	822.3807	NA	PeJP	NA	NA
+PJ044596	EFRWW 	C42H50N10O8	822.3813	NA	PeJP	NA	NA
+PJ044597	GSSSSDKR 	C30H54N12O15	822.3832	NA	PeJP	NA	NA
+MJ095482	Catharine 	C46H54N4O10	822.383993	NA	MeJP	NA	NA
+MJ095483	Leurosine; 21'-Oxo 	C46H54N4O10	822.383993	NA	MeJP	NA	NA
+MJ095484	Vincovalicine 	C46H54N4O10	822.383993	NA	MeJP	NA	NA
+MJ095485	Vinformide 	C46H54N4O10	822.383993	NA	MeJP	NA	NA
+C09129	Catharine	C46H54N4O10	822.384	NA	KEGG	NA	NA
+PJ044598	TEMMRR 	C31H58N12O10S2	822.3841	NA	PeJP	NA	NA
+PJ044599	APMRYW 	C39H54N10O8S	822.3847	NA	PeJP	NA	NA
+PJ044600	VFWWW 	C47H50N8O6	822.3854	NA	PeJP	NA	NA
+PJ044601	SSSTQKW 	C35H54N10O13	822.3872	NA	PeJP	NA	NA
+PJ044602	SLMMRW 	C36H58N10O8S2	822.3881	NA	PeJP	NA	NA
+PJ044603	STHHRW 	C36H50N14O9	822.3886	NA	PeJP	NA	NA
+PJ044604	SSTLEMR 	C32H58N10O13S	822.3906	NA	PeJP	NA	NA
+PJ044605	PTKEYW 	C40H54N8O11	822.3912	NA	PeJP	NA	NA
+PJ044606	GGGPLEFF 	C40H54N8O11	822.3913	NA	PeJP	NA	NA
+PJ044607	AALMMMR 	C33H62N10O8S3	822.3915	NA	PeJP	NA	NA
+PJ044608	CNQFRR 	C33H54N14O9S	822.3919	NA	PeJP	NA	NA
+PJ044609	VHHHFF 	C41H50N12O7	822.3926	NA	PeJP	NA	NA
+PJ044610	GSSSSSRR 	C29H54N14O14	822.3944	NA	PeJP	NA	NA
+PJ044611	SSSLLMW 	C37H58N8O11S	822.3946	NA	PeJP	NA	NA
+PJ044612	ALFFYY 	C45H54N6O9	822.3953	NA	PeJP	NA	NA
+PJ044613	PPMHRW 	C38H54N12O7S	822.396	NA	PeJP	NA	NA
+PJ044614	SSSSTLLE 	C33H58N8O16	822.3971	NA	PeJP	NA	NA
+PJ044615	ATLKEMM 	C34H62N8O11S2	822.398	NA	PeJP	NA	NA
+PJ044616	VDDRRY 	C34H54N12O12	822.3984	NA	PeJP	NA	NA
+PJ044617	AEERRY 	C34H54N12O12	822.3985	NA	PeJP	NA	NA
+PJ044618	CCKKRW 	C35H58N12O7S2	822.3993	NA	PeJP	NA	NA
+PJ044619	QKHHHH 	C35H50N16O8	822.3998	NA	PeJP	NA	NA
+PJ044620	SSSQKMR 	C31H58N12O12S	822.4018	NA	PeJP	NA	NA
+PJ044621	GLERYW 	C39H54N10O10	822.4025	NA	PeJP	NA	NA
+PJ044622	VMMMRR 	C32H62N12O7S3	822.4027	NA	PeJP	NA	NA
+PJ044623	SMHHRR 	C32H54N16O8S	822.4032	NA	PeJP	NA	NA
+MJ095486	3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3,21-Di-O-?-D-glucuronopyranoside 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095487	3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095488	3,21-Dihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095489	3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095490	3,24-Dihydroxy-11,13(18)-oleanadien-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095491	3,25-Dihydroxy-12-oleanen-30-oic acid, 25-Aldehyde, 3-O-[?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095492	3,25-Dihydroxy-18-oleanen-30-oic acid, 25-Aldehyde, 3-[O-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095493	3-Hydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095494	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095495	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095496	Abrusogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095497	Abrusogenin; 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MJ095498	Glycyrrhizic acid 	C42H62O16	822.403785	NA	MeJP	NA	NA
+MetaCyc04154	glycyrrhizinate []	C42H62O16	822.403786	1405-86-3	metacyc	NA	NA
+C02284	Glycyrrhizinate	C42H62O16	822.4038	NA	KEGG	NA	NA
+C02285	Heavy metal ion	C42H62O16	822.4038	NA	KEGG	NA	NA
+C06688	Rifampicin	C43H58N4O12	822.4051	NA	KEGG	NA	NA
+MJ095499	Rifampicin 	C43H58N4O12	822.405123	NA	MeJP	NA	NA
+PJ044624	GSSKKMW 	C36H58N10O10S	822.4058	NA	PeJP	NA	NA
+PJ044625	GGAPCKKY 	C36H58N10O10S	822.4059	NA	PeJP	NA	NA
+PJ044626	GVLYWW 	C44H54N8O8	822.4065	NA	PeJP	NA	NA
+PJ044627	GSSSTKKE 	C32H58N10O15	822.4083	NA	PeJP	NA	NA
+PJ044628	ATTLMMR 	C33H62N10O10S2	822.4092	NA	PeJP	NA	NA
+PJ044629	SNQRRY 	C33H54N14O11	822.4097	NA	PeJP	NA	NA
+PJ044630	PVKMYW 	C41H58N8O8S	822.4099	NA	PeJP	NA	NA
+PJ044631	TTTTTLW 	C37H58N8O13	822.4123	NA	PeJP	NA	NA
+MJ095500	Antibiotic SF 2068 	C37H58N8O13	822.412333	NA	MeJP	NA	NA
+PJ044632	AALKEEY 	C37H58N8O13	822.4124	NA	PeJP	NA	NA
+PJ044633	SSSCKRR 	C30H58N14O11S	822.413	NA	PeJP	NA	NA
+7496	ACE inhibitor (from bovine as1-CN)	FPEVFGK	822.413	antioxidative	Inhouse_peptide	NA	peptide
+PJ044634	GPLKMMF 	C38H62N8O8S2	822.4132	NA	PeJP	NA	NA
+PJ044635	GNKRYW 	C38H54N12O9	822.4137	NA	PeJP	NA	NA
+PJ044636	TTTLKEM 	C34H62N8O13S	822.4157	NA	PeJP	NA	NA
+PJ044637	GLLKMMM 	C35H66N8O8S3	822.4166	NA	PeJP	NA	NA
+PJ044638	PTMRRY 	C35H58N12O9S	822.4171	NA	PeJP	NA	NA
+PJ044639	LRYWW 	C43H54N10O7	822.4177	NA	PeJP	NA	NA
+PJ044640	GSSSTTKR 	C31H58N12O14	822.4196	NA	PeJP	NA	NA
+PJ044641	SVCCKKR 	C32H62N12O9S2	822.4204	NA	PeJP	NA	NA
+PJ044642	GTCKKMR 	C32H62N12O9S2	822.4205	NA	PeJP	NA	NA
+PJ044643	GSPNHRR 	C32H54N16O10	822.4209	NA	PeJP	NA	NA
+PJ044644	ALMFRW 	C40H58N10O7S	822.4211	NA	PeJP	NA	NA
+PJ044645	SSSTKKW 	C36H58N10O12	822.4236	NA	PeJP	NA	NA
+PJ044646	CKKKMW 	C37H62N10O7S2	822.4245	NA	PeJP	NA	NA
+PJ044647	VQHHFR 	C37H54N14O8	822.4249	NA	PeJP	NA	NA
+MJ095501	1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C39H66O18	822.424915	NA	MeJP	NA	NA
+MJ095502	1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C39H66O18	822.424915	NA	MeJP	NA	NA
+PJ044648	GGLHHFR 	C37H54N14O8	822.425	NA	PeJP	NA	NA
+PJ044649	TTTTLMR 	C33H62N10O12S	822.427	NA	PeJP	NA	NA
+PJ044650	VVKEYW 	C41H58N8O10	822.4276	NA	PeJP	NA	NA
+PJ044651	CNKFRR 	C34H58N14O8S	822.4283	NA	PeJP	NA	NA
+PJ044652	APTLKMY 	C38H62N8O10S	822.431	NA	PeJP	NA	NA
+PJ044653	SSTTTTLL 	C34H62N8O15	822.4335	NA	PeJP	NA	NA
+PJ044654	STLLKMM 	C35H66N8O10S2	822.4344	NA	PeJP	NA	NA
+PJ044655	SLERRY 	C35H58N12O11	822.4348	NA	PeJP	NA	NA
+PJ044656	GGPPPDKR 	C35H58N12O11	822.4349	NA	PeJP	NA	NA
+PJ044657	AHHFRR 	C36H54N16O7	822.4362	NA	PeJP	NA	NA
+PJ044658	SSSKKMR 	C32H62N12O11S	822.4382	NA	PeJP	NA	NA
+PJ044659	SQKKFW 	C40H58N10O9	822.4388	NA	PeJP	NA	NA
+PJ044660	SVLRYW 	C40H58N10O9	822.4389	NA	PeJP	NA	NA
+MJ095503	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[4-Deoxy-6-O-methyl-?-L-threo-hex-4-enopyranoside], 28-O-?-D-glucopyranosyl ester 	C43H66O15	822.440171	NA	MeJP	NA	NA
+MJ095504	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[3-O-Acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C43H66O15	822.440171	NA	MeJP	NA	NA
+MJ095505	Digoxin; 3'''-Ac 	C43H66O15	822.440171	NA	MeJP	NA	NA
+MJ095506	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4,6-di-O-acetyl-?-D-galactopyranoside] 	C43H66O15	822.440171	NA	MeJP	NA	NA
+PJ044661	LLQMRY 	C37H62N10O9S	822.4422	NA	PeJP	NA	NA
+PJ044662	PVKFFW 	C45H58N8O7	822.4429	NA	PeJP	NA	NA
+PJ044663	SSSSSLKK 	C33H62N10O14	822.4447	NA	PeJP	NA	NA
+PJ044664	GTKKKMM 	C34H66N10O9S2	822.4456	NA	PeJP	NA	NA
+PJ044665	SNKRRY 	C34H58N14O10	822.4461	NA	PeJP	NA	NA
+MJ095507	Bottromycin; Bottromycin A2 	C42H62N8O7S	822.446217	NA	MeJP	NA	NA
+PJ044666	VLKMFW 	C42H62N8O7S	822.4463	NA	PeJP	NA	NA
+PJ044667	GTLLKEY 	C38H62N8O12	822.4487	NA	PeJP	NA	NA
+PJ044668	ATLLDKY 	C38H62N8O12	822.4488	NA	PeJP	NA	NA
+PJ044669	PQKKHW 	C39H58N12O8	822.4501	NA	PeJP	NA	NA
+PJ044670	VVMRRY 	C36H62N12O8S	822.4535	NA	PeJP	NA	NA
+MJ095508	Sorangicin C 	C47H66O12	822.455427	NA	MeJP	NA	NA
+PJ044671	VQQHRR 	C33H58N16O9	822.4573	NA	PeJP	NA	NA
+PJ044672	GTTLLRY 	C37H62N10O11	822.46	NA	PeJP	NA	NA
+PJ044673	VKHHFR 	C38H58N14O7	822.4613	NA	PeJP	NA	NA
+PJ044674	STTKKKM 	C34H66N10O11S	822.4633	NA	PeJP	NA	NA
+PJ044675	TLLKYW 	C42H62N8O9	822.464	NA	PeJP	NA	NA
+PJ044676	GVLLKMY 	C39H66N8O9S	822.4674	NA	PeJP	NA	NA
+PJ044677	AQHRRR 	C32H58N18O8	822.4685	NA	PeJP	NA	NA
+PJ044678	GAAHRRR 	C32H58N18O8	822.4686	NA	PeJP	NA	NA
+PJ044679	TQKKRY 	C36H62N12O10	822.4712	NA	PeJP	NA	NA
+PJ044680	AKKKYW 	C41H62N10O8	822.4752	NA	PeJP	NA	NA
+PJ044681	GVVLLHW 	C41H62N10O8	822.4753	NA	PeJP	NA	NA
+MJ095509	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[2-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095510	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[3-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095511	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[4-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095512	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095513	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[2-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095514	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[3-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095515	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[4-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095516	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095517	3,11,14-Trihydroxycard-20(22)-enolide, 3-O-[2,6-Dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+MJ095518	3,12,14-Trihydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C44H70O14	822.476556	NA	MeJP	NA	NA
+PJ044682	LLKMRY 	C38H66N10O8S	822.4786	NA	PeJP	NA	NA
+PJ044683	LLEHRR 	C35H62N14O9	822.4825	NA	PeJP	NA	NA
+PJ044684	SSLLLKY 	C39H66N8O11	822.4851	NA	PeJP	NA	NA
+PJ044685	GPPVVLLE 	C39H66N8O11	822.4852	NA	PeJP	NA	NA
+PJ044686	VLLHRW 	C40H62N12O7	822.4865	NA	PeJP	NA	NA
+PJ044687	AAPPRRR 	C34H62N16O8	822.4937	NA	PeJP	NA	NA
+PJ044688	KKKKEY 	C38H66N10O10	822.4964	NA	PeJP	NA	NA
+PJ044689	PPVVLLW 	C43H66N8O8	822.5004	NA	PeJP	NA	NA
+PJ044690	AKHRRR 	C33H62N18O7	822.5049	NA	PeJP	NA	NA
+MJ095519	Diboviquinone-3,4; 4,4-Homologue 	C52H70O8	822.507069	NA	MeJP	NA	NA
+MJ095520	Distrongylophorine 	C52H70O8	822.507069	NA	MeJP	NA	NA
+PJ044691	TKKKRY 	C37H66N12O9	822.5076	NA	PeJP	NA	NA
+PJ044692	LLKFFR 	C42H66N10O7	822.5116	NA	PeJP	NA	NA
+MJ095521	Concanamycin A; 4'-Decarbamoyl 	C45H74O13	822.512942	NA	MeJP	NA	NA
+PJ044693	GPPLKRR 	C36H66N14O8	822.5188	NA	PeJP	NA	NA
+PJ044694	GPPTLLLL 	C40H70N8O10	822.5215	NA	PeJP	NA	NA
+PJ044695	VKKHRR 	C35H66N16O7	822.5301	NA	PeJP	NA	NA
+PJ044696	SLLLLKH 	C39H70N10O9	822.5328	NA	PeJP	NA	NA
+HMDB10614	PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H79O10P	822.541077	NA	HMDB2010	NA	NA
+HMDB10627	PG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C46H79O10P	822.541077	NA	HMDB2010	NA	NA
+HMDB10628	PG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C46H79O10P	822.541077	NA	HMDB2010	NA	NA
+HMDB10642	PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C46H79O10P	822.541077	NA	HMDB2010	NA	NA
+HMDB10643	PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C46H79O10P	822.541077	NA	HMDB2010	NA	NA
+HMDB10656	PG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	C46H79O10P	822.541077	NA	HMDB2010	NA	NA
+PJ044697	PPVVKKR 	C38H70N12O8	822.544	NA	PeJP	NA	NA
+PJ044698	AAPLLLLL 	C41H74N8O9	822.5579	NA	PeJP	NA	NA
+MJ095522	Huratoxin; 20-Hexadecanoyl 	C50H78O9	822.564584	NA	MeJP	NA	NA
+PJ044699	PVLLLLR 	C40H74N10O8	822.5691	NA	PeJP	NA	NA
+MJ095523	Taondiol dimer 	C54H78O6	822.57984	NA	MeJP	NA	NA
+HMDB10497	TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z))[iso3]	C53H90O6	822.673767	NA	HMDB2010	NA	NA
+C00100	Propanoyl-CoA	C24H40N7O17P3S	823.1414	NA	KEGG	NA	NA
+HMDB01275	Propionyl-CoA	C24H40N7O17P3S	823.141418	NA	HMDB2010	NA	NA
+HMDB01275	Propionyl-CoA	C24H40N7O17P3S	823.14142	http://www.hmdb.ca/metabolites/HMDB01275	HMDB	NA	NA
+HMDB01275	Propionyl-CoA	C24H40N7O17P3S	823.14142	HMDB01275	PFEM_hmdb_metabocards_official	NA	NA
+MJ095524	Propanoyl-CoA 	C24H40N7O17P3S	823.141423	NA	MeJP	NA	NA
+MetaCyc04155	propionyl-CoA [propanoyl-CoA;propionyl-coenzyme A;]	C24H40N7O17P3S1	823.141423	317-66-8	metacyc	NA	NA
+PJ044700	CCCCDDY 	C29H41N7O13S4	823.1646	NA	PeJP	NA	NA
+PJ044701	CCCCMMM 	C27H49N7O8S7	823.1688	NA	PeJP	NA	NA
+PJ044702	CCCCDMF 	C30H45N7O10S5	823.1832	NA	PeJP	NA	NA
+PJ044703	CCCDDEH 	C28H41N9O14S3	823.1936	NA	PeJP	NA	NA
+PJ044704	DDDDDDD 	C28H37N7O22	823.1992	NA	PeJP	NA	NA
+PJ044705	SCCCDMY 	C30H45N7O12S4	823.2009	NA	PeJP	NA	NA
+PJ044706	ACCCMMY 	C31H49N7O9S5	823.2196	NA	PeJP	NA	NA
+PJ044707	CCCNNMH 	C28H45N11O10S4	823.2234	NA	PeJP	NA	NA
+PJ044708	CNNDDDE 	C28H41N9O18S	823.2291	NA	PeJP	NA	NA
+PJ044709	SCCDEMH 	C29H45N9O13S3	823.2299	NA	PeJP	NA	NA
+PJ044710	PCCCMMH 	C30H49N9O8S5	823.2308	NA	PeJP	NA	NA
+MJ095525	2-O-?-D-Galactopyranosyl-D-mannose; ?-Pyranose-form, p-Nitrophenyl glycoside, 4,6-O-benzylidene, 3-benzoyl, tetra-Ac 	C40H41NO18	823.232363	NA	MeJP	NA	NA
+PJ044711	GCCCEFY 	C34H45N7O11S3	823.2339	NA	PeJP	NA	NA
+PJ044712	SDDDDEE 	C29H41N7O21	823.2356	NA	PeJP	NA	NA
+PJ044713	PCDDDEM 	C30H45N7O16S2	823.2365	NA	PeJP	NA	NA
+PJ044714	SSCCMMY 	C31H49N7O11S4	823.2373	NA	PeJP	NA	NA
+PJ044715	GSSCCCQH 	C28H45N11O12S3	823.2412	NA	PeJP	NA	NA
+PJ044716	GCNDDDW 	C32H41N9O15S	823.2443	NA	PeJP	NA	NA
+PJ044717	PCCCDHF 	C33H45N9O10S3	823.2452	NA	PeJP	NA	NA
+PJ044718	GSSNDDDD 	C28H41N9O20	823.2468	NA	PeJP	NA	NA
+PJ044719	GSPCCNDE 	C29H45N9O15S2	823.2477	NA	PeJP	NA	NA
+PJ044720	GCDMMMH 	C30H49N9O10S4	823.2486	NA	PeJP	NA	NA
+PJ044721	CCCFYW 	C38H45N7O8S3	823.2492	NA	PeJP	NA	NA
+PJ044722	GSCCEYY 	C34H45N7O13S2	823.2517	NA	PeJP	NA	NA
+PJ044723	ACCCMFF 	C35H49N7O8S4	823.2526	NA	PeJP	NA	NA
+PJ044724	GDDEEEM 	C30H45N7O18S	823.2542	NA	PeJP	NA	NA
+PJ044725	SSSSCCNH 	C28H45N11O14S2	823.2589	NA	PeJP	NA	NA
+PJ044726	GGGGGGGGCDM 	C28H45N11O14S2	823.259	NA	PeJP	NA	NA
+PJ044727	CCCCQKH 	C29H49N11O9S4	823.2598	NA	PeJP	NA	NA
+PJ044728	SPCCNDW 	C33H45N9O12S2	823.2629	NA	PeJP	NA	NA
+PJ044729	GGSPCCDW 	C33H45N9O12S2	823.263	NA	PeJP	NA	NA
+PJ044730	SNNDDEM 	C29H45N9O17S	823.2654	NA	PeJP	NA	NA
+PJ044731	GGSNDDEM 	C29H45N9O17S	823.2655	NA	PeJP	NA	NA
+PJ044732	SSCEMMH 	C30H49N9O12S3	823.2663	NA	PeJP	NA	NA
+PJ044733	SCCYYW 	C38H45N7O10S2	823.2669	NA	PeJP	NA	NA
+PJ044734	GCCMHHH 	C31H45N13O8S3	823.2677	NA	PeJP	NA	NA
+PJ044735	DDEEMW 	C34H45N7O15S	823.2695	NA	PeJP	NA	NA
+PJ044736	CNMMYY 	C35H49N7O10S3	823.2703	NA	PeJP	NA	NA
+PJ044737	SSDEEEE 	C30H45N7O20	823.272	NA	PeJP	NA	NA
+PJ044738	SPDDEMM 	C31H49N7O15S2	823.2728	NA	PeJP	NA	NA
+PJ044739	GDDDEHH 	C31H41N11O16	823.2733	NA	PeJP	NA	NA
+PJ044740	PPCDMMM 	C32H53N7O10S4	823.2737	NA	PeJP	NA	NA
+PJ044741	GCCNNQW 	C32H45N11O11S2	823.2742	NA	PeJP	NA	NA
+PJ044742	SCNDDDR 	C28H45N11O16S	823.2767	NA	PeJP	NA	NA
+PJ044743	PCCCNER 	C29H49N11O11S3	823.2775	NA	PeJP	NA	NA
+PJ044744	GGPCCCER 	C29H49N11O11S3	823.2776	NA	PeJP	NA	NA
+PJ044745	CCEHFW 	C37H45N9O9S2	823.2782	NA	PeJP	NA	NA
+PJ044746	GSNDDMW 	C33H45N9O14S	823.2807	NA	PeJP	NA	NA
+PJ044747	GPCCQMW 	C34H49N9O9S3	823.2816	NA	PeJP	NA	NA
+PJ044748	GSSSNDEE 	C29H45N9O19	823.2832	NA	PeJP	NA	NA
+PJ044749	GNNEEMM 	C30H49N9O14S2	823.2841	NA	PeJP	NA	NA
+PJ044750	CNDFYY 	C38H45N7O12S	823.2847	NA	PeJP	NA	NA
+PJ044751	GSMMMMH 	C31H53N9O9S4	823.2849	NA	PeJP	NA	NA
+PJ044752	STCCHHH 	C31H45N13O10S2	823.2854	NA	PeJP	NA	NA
+PJ044753	GPDDEEY 	C34H45N7O17	823.2872	NA	PeJP	NA	NA
+PJ044754	GSTCMYY 	C35H49N7O12S2	823.2881	NA	PeJP	NA	NA
+PJ044755	DDDHHW 	C35H41N11O13	823.2886	NA	PeJP	NA	NA
+PJ044756	GTEEEEM 	C31H49N7O17S	823.2906	NA	PeJP	NA	NA
+PJ044757	GPEEMMM 	C32H53N7O12S3	823.2915	NA	PeJP	NA	NA
+PJ044758	SSCNNNW 	C32H45N11O13S	823.2919	NA	PeJP	NA	NA
+PJ044759	GGGGGGSSCW 	C32H45N11O13S	823.292	NA	PeJP	NA	NA
+PJ044760	GPCCCRW 	C33H49N11O8S3	823.2928	NA	PeJP	NA	NA
+PJ044761	SSSSNNND 	C28H45N11O18	823.2944	NA	PeJP	NA	NA
+PJ044762	GGGGGGSSSSD 	C28H45N11O18	823.2945	NA	PeJP	NA	NA
+PJ044763	GCNDEMR 	C29H49N11O13S2	823.2953	NA	PeJP	NA	NA
+MJ095526	NS Antibiotic complex; NS4 	C31H53NO24	823.295751	NA	MeJP	NA	NA
+MJ095527	NS Antibiotic complex; NS5 	C31H53NO24	823.295751	NA	MeJP	NA	NA
+PJ044764	SCNEWW 	C37H45N9O11S	823.2959	NA	PeJP	NA	NA
+PJ044765	GGSCEWW 	C37H45N9O11S	823.296	NA	PeJP	NA	NA
+PJ044766	CCCCKKH 	C30H53N11O8S4	823.2962	NA	PeJP	NA	NA
+PJ044767	SSTNDDW 	C33H45N9O16	823.2984	NA	PeJP	NA	NA
+PJ044768	SSSNDEW 	C33H45N9O16	823.2985	NA	PeJP	NA	NA
+PJ044769	NNEMMW 	C34H49N9O11S2	823.2993	NA	PeJP	NA	NA
+PJ044770	SSNQEEM 	C30H49N9O16S	823.3018	NA	PeJP	NA	NA
+PJ044771	PDDEYW 	C38H45N7O14	823.3025	NA	PeJP	NA	NA
+PJ044772	SSTMMMH 	C31H53N9O11S3	823.3027	NA	PeJP	NA	NA
+PJ044773	GNNDMHH 	C31H45N13O12S	823.3032	NA	PeJP	NA	NA
+PJ044774	CNMFFY 	C39H49N7O9S2	823.3033	NA	PeJP	NA	NA
+PJ044775	GGCMFFY 	C39H49N7O9S2	823.3034	NA	PeJP	NA	NA
+PJ044776	SSSSMYY 	C35H49N7O14S	823.3058	NA	PeJP	NA	NA
+PJ044777	TEEEMW 	C35H49N7O14S	823.3059	NA	PeJP	NA	NA
+PJ044778	SCCNNQR 	C28H49N13O12S2	823.3065	NA	PeJP	NA	NA
+PJ044779	GCCDDRR 	C28H49N13O12S2	823.3066	NA	PeJP	NA	NA
+PJ044780	PEMMMW 	C36H53N7O9S3	823.3067	NA	PeJP	NA	NA
+PJ044781	STTEEEE 	C31H49N7O19	823.3083	NA	PeJP	NA	NA
+PJ044782	TTTDEEE 	C31H49N7O19	823.3084	NA	PeJP	NA	NA
+PJ044783	GVEEEMM 	C32H53N7O14S2	823.3092	NA	PeJP	NA	NA
+PJ044784	GNNNNEY 	C32H45N11O15	823.3097	NA	PeJP	NA	NA
+PJ044785	SPPMMMM 	C33H57N7O9S4	823.3101	NA	PeJP	NA	NA
+PJ044786	CNDMRW 	C33H49N11O10S2	823.3106	NA	PeJP	NA	NA
+PJ044787	GSCWWW 	C41H45N9O8S	823.3112	NA	PeJP	NA	NA
+PJ044788	SSNDDMR 	C29H49N11O15S	823.3131	NA	PeJP	NA	NA
+PJ044789	GSSSDWW 	C37H45N9O13	823.3137	NA	PeJP	NA	NA
+PJ044790	SPCCQMR 	C30H53N11O10S3	823.3139	NA	PeJP	NA	NA
+PJ044791	GNMMWW 	C38H49N9O8S2	823.3146	NA	PeJP	NA	NA
+PJ044792	GSSQEMW 	C34H49N9O13S	823.3171	NA	PeJP	NA	NA
+PJ044793	GPCCKMW 	C35H53N9O8S3	823.318	NA	PeJP	NA	NA
+PJ044794	CNQHHW 	C35H45N13O9S	823.3184	NA	PeJP	NA	NA
+PJ044795	GSSSTQEE 	C30H49N9O18	823.3196	NA	PeJP	NA	NA
+PJ044796	GTQQEMM 	C31H53N9O13S2	823.3204	NA	PeJP	NA	NA
+PJ044797	EEEMMR 	C31H53N9O13S2	823.3205	NA	PeJP	NA	NA
+PJ044798	SSNNEHH 	C31H45N13O14	823.3209	NA	PeJP	NA	NA
+PJ044799	GGGGGGPNDH 	C31H45N13O14	823.321	NA	PeJP	NA	NA
+PJ044800	PDEMFW 	C39H49N7O11S	823.3211	NA	PeJP	NA	NA
+PJ044801	GPTEEEY 	C35H49N7O16	823.3236	NA	PeJP	NA	NA
+PJ044802	GSSSCNNR 	C28H49N13O14S	823.3243	NA	PeJP	NA	NA
+PJ044803	VEEMMW 	C36H53N7O11S2	823.3245	NA	PeJP	NA	NA
+PJ044804	NNNNYW 	C36H45N11O12	823.3249	NA	PeJP	NA	NA
+PJ044805	GGGGNNYW 	C36H45N11O12	823.325	NA	PeJP	NA	NA
+PJ044806	SPCCCRR 	C29H53N13O9S3	823.3252	NA	PeJP	NA	NA
+PJ044807	ACCRWW 	C37H49N11O7S2	823.3258	NA	PeJP	NA	NA
+PJ044808	SSLEEEM 	C32H53N7O16S	823.327	NA	PeJP	NA	NA
+PJ044809	SPVEMMM 	C33H57N7O11S3	823.3278	NA	PeJP	NA	NA
+PJ044810	PVTDMMM 	C33H57N7O11S3	823.3279	NA	PeJP	NA	NA
+PJ044811	GSSCERW 	C33H49N11O12S	823.3283	NA	PeJP	NA	NA
+PJ044812	GGGGGGGGAMF 	C33H49N11O12S	823.3284	NA	PeJP	NA	NA
+PJ044813	GNDFWW 	C41H45N9O10	823.329	NA	PeJP	NA	NA
+PJ044814	CMMHFR 	C34H53N11O7S3	823.3292	NA	PeJP	NA	NA
+PJ044815	GPCHHHH 	C34H45N15O8S	823.3297	NA	PeJP	NA	NA
+PJ044816	GSSSSDER 	C29H49N11O17	823.3308	NA	PeJP	NA	NA
+PJ044817	GSNEMMR 	C30H53N11O12S2	823.3317	NA	PeJP	NA	NA
+PJ044818	SSQMWW 	C38H49N9O10S	823.3323	NA	PeJP	NA	NA
+PJ044819	GGGGPMYW 	C38H49N9O10S	823.3324	NA	PeJP	NA	NA
+PJ044820	SSSTQEW 	C34H49N9O15	823.3348	NA	PeJP	NA	NA
+PJ044821	GGAAQEEY 	C34H49N9O15	823.3349	NA	PeJP	NA	NA
+PJ044822	NDKMMW 	C35H53N9O10S2	823.3357	NA	PeJP	NA	NA
+PJ044823	GSSNHHW 	C35H45N13O11	823.3362	NA	PeJP	NA	NA
+PJ044824	CNFFFF 	C43H49N7O8S	823.3364	NA	PeJP	NA	NA
+PJ044825	SSNKEEM 	C31H53N9O15S	823.3382	NA	PeJP	NA	NA
+PJ044826	STQYYY 	C39H49N7O13	823.3388	NA	PeJP	NA	NA
+PJ044827	PTEEYW 	C39H49N7O13	823.3389	NA	PeJP	NA	NA
+PJ044828	GVQQMMM 	C32H57N9O10S3	823.3391	NA	PeJP	NA	NA
+PJ044829	ASNQMHH 	C32H49N13O11S	823.3395	NA	PeJP	NA	NA
+PJ044830	GCNNNFR 	C32H49N13O11S	823.3396	NA	PeJP	NA	NA
+PJ044831	PPMMYW 	C40H53N7O8S2	823.3397	NA	PeJP	NA	NA
+PJ044832	GPVEEMY 	C36H53N7O13S	823.3422	NA	PeJP	NA	NA
+PJ044833	GSCDMRR 	C29H53N13O11S2	823.3429	NA	PeJP	NA	NA
+PJ044834	APPMMMF 	C37H57N7O8S3	823.3431	NA	PeJP	NA	NA
+PJ044835	SSCRWW 	C37H49N11O9S	823.3436	NA	PeJP	NA	NA
+PJ044836	ATLEEMM 	C33H57N7O13S2	823.3456	NA	PeJP	NA	NA
+PJ044837	SSSSDRW 	C33H49N11O14	823.3461	NA	PeJP	NA	NA
+PJ044838	APLMMMM 	C34H61N7O8S4	823.3465	NA	PeJP	NA	NA
+PJ044839	SNMMRW 	C34H53N11O9S2	823.3469	NA	PeJP	NA	NA
+PJ044840	GGSMMRW 	C34H53N11O9S2	823.347	NA	PeJP	NA	NA
+PJ044841	QEHHHH 	C34H45N15O10	823.3474	NA	PeJP	NA	NA
+PJ044842	GMHFFW 	C42H49N9O7S	823.3476	NA	PeJP	NA	NA
+PJ044843	SSSQEMR 	C30H53N11O14S	823.3494	NA	PeJP	NA	NA
+PJ044844	GGSSTEMR 	C30H53N11O14S	823.3495	NA	PeJP	NA	NA
+PJ044845	GSSTTWW 	C38H49N9O12	823.3501	NA	PeJP	NA	NA
+PJ044846	QQMMMR 	C31H57N11O9S3	823.3503	NA	PeJP	NA	NA
+PJ044847	GSCQHHR 	C31H49N15O10S	823.3508	NA	PeJP	NA	NA
+PJ044848	ACKMWW 	C39H53N9O7S2	823.351	NA	PeJP	NA	NA
+3737	NA	YPFGFHG	823.351	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ044849	GSSKEMW 	C35H53N9O12S	823.3535	NA	PeJP	NA	NA
+MJ095528	Virginiamycin S1 	C43H49N7O10	823.35409	NA	MeJP	NA	NA
+C11269	Virginiamycin S1	C43H49N7O10	823.3541	NA	KEGG	NA	NA
+C11270	Transferred to D01058	C43H49N7O10	823.3541	NA	KEGG	NA	NA
+PJ044850	PPDFYW 	C43H49N7O10	823.3541	NA	PeJP	NA	NA
+PJ044851	KMMMHF 	C36H57N9O7S3	823.3543	NA	PeJP	NA	NA
+PJ044852	CNKHHW 	C36H49N13O8S	823.3548	NA	PeJP	NA	NA
+PJ044853	GSSSTKEE 	C31H53N9O17	823.356	NA	PeJP	NA	NA
+PJ044854	GTQKEMM 	C32H57N9O12S2	823.3568	NA	PeJP	NA	NA
+PJ044855	GGATKEMM 	C32H57N9O12S2	823.3569	NA	PeJP	NA	NA
+PJ044856	GSNNNRY 	C32H49N13O13	823.3573	NA	PeJP	NA	NA
+PJ044857	PVEMYW 	C40H53N7O10S	823.3575	NA	PeJP	NA	NA
+PJ044858	TCCRRW 	C33H53N13O8S2	823.3582	NA	PeJP	NA	NA
+PJ044859	AALEEEY 	C36H53N7O15	823.36	NA	PeJP	NA	NA
+PJ044860	SSSCERR 	C29H53N13O13S	823.3607	NA	PeJP	NA	NA
+PJ044861	SPPVMMY 	C37H57N7O10S2	823.3609	NA	PeJP	NA	NA
+PJ044862	GNERYW 	C37H49N11O11	823.3613	NA	PeJP	NA	NA
+PJ044863	GGAAPEHW 	C37H49N11O11	823.3614	NA	PeJP	NA	NA
+PJ044864	CQMMRR 	C30H57N13O8S3	823.3616	NA	PeJP	NA	NA
+PJ044865	AHHHHW 	C38H45N15O7	823.3627	NA	PeJP	NA	NA
+PJ044866	TTTLEEM 	C33H57N7O15S	823.3634	NA	PeJP	NA	NA
+PJ044867	GLLEMMM 	C34H61N7O10S3	823.3642	NA	PeJP	NA	NA
+PJ044868	GSSTMRW 	C34H53N11O11S	823.3647	NA	PeJP	NA	NA
+PJ044869	STHFFW 	C42H49N9O9	823.3653	NA	PeJP	NA	NA
+PJ044870	AAQYWW 	C42H49N9O9	823.3654	NA	PeJP	NA	NA
+PJ044871	GSSSTTER 	C30H53N11O16	823.3672	NA	PeJP	NA	NA
+PJ044872	GSDKMMR 	C31H57N11O11S2	823.3681	NA	PeJP	NA	NA
+PJ044873	SSSNHHR 	C31H49N15O12	823.3685	NA	PeJP	NA	NA
+PJ044874	GGSSSHHR 	C31H49N15O12	823.3686	NA	PeJP	NA	NA
+PJ044875	SSKMWW 	C39H53N9O9S	823.3687	NA	PeJP	NA	NA
+PJ044876	SSSTKEW 	C35H53N9O14	823.3712	NA	PeJP	NA	NA
+PJ044877	GGGPPPVDE 	C35H53N9O14	823.3713	NA	PeJP	NA	NA
+PJ044878	TQKMMW 	C36H57N9O9S2	823.3721	NA	PeJP	NA	NA
+PJ044879	PNDHRW 	C36H49N13O10	823.3726	NA	PeJP	NA	NA
+PJ044880	PPMFFW 	C44H53N7O7S	823.3728	NA	PeJP	NA	NA
+PJ044881	SSDKKEM 	C32H57N9O14S	823.3746	NA	PeJP	NA	NA
+PJ044882	LLDDYW 	C40H53N7O12	823.3752	NA	PeJP	NA	NA
+PJ044883	VVEEYW 	C40H53N7O12	823.3753	NA	PeJP	NA	NA
+PJ044884	GVQKMMM 	C33H61N9O9S3	823.3755	NA	PeJP	NA	NA
+PJ044885	CNEFRR 	C33H53N13O10S	823.3759	NA	PeJP	NA	NA
+PJ044886	GGCEFRR 	C33H53N13O10S	823.376	NA	PeJP	NA	NA
+PJ044887	PLMMFW 	C41H57N7O7S2	823.3761	NA	PeJP	NA	NA
+PJ044888	NRYWW 	C41H49N11O8	823.3766	NA	PeJP	NA	NA
+PJ044889	APTLEMY 	C37H57N7O12S	823.3786	NA	PeJP	NA	NA
+PJ044890	GSSMMRR 	C30H57N13O10S2	823.3793	NA	PeJP	NA	NA
+PJ044891	LLMMMW 	C38H61N7O7S3	823.3795	NA	PeJP	NA	NA
+PJ044892	GQMFRW 	C38H53N11O8S	823.38	NA	PeJP	NA	NA
+PJ044893	STLLEMM 	C34H61N7O12S2	823.382	NA	PeJP	NA	NA
+PJ044894	SSSTTRW 	C34H53N11O13	823.3824	NA	PeJP	NA	NA
+PJ044895	NDKERY 	C34H53N11O13	823.3825	NA	PeJP	NA	NA
+PJ044896	TCKMRW 	C35H57N11O8S2	823.3833	NA	PeJP	NA	NA
+PJ044897	NNHHFR 	C35H49N15O9	823.3838	NA	PeJP	NA	NA
+PJ044898	SSSKEMR 	C31H57N11O13S	823.3858	NA	PeJP	NA	NA
+PJ044899	AQKEYW 	C39H53N9O11	823.3865	NA	PeJP	NA	NA
+PJ044900	QKMMMR 	C32H61N11O8S3	823.3867	NA	PeJP	NA	NA
+PJ044901	GSCKHHR 	C32H53N15O9S	823.3872	NA	PeJP	NA	NA
+PJ044902	GTTTKMW 	C36H57N9O11S	823.3898	NA	PeJP	NA	NA
+PJ044903	ASPQKMY 	C36H57N9O11S	823.3899	NA	PeJP	NA	NA
+PJ044904	PPVYYW 	C44H53N7O9	823.3905	NA	PeJP	NA	NA
+PJ044905	GCFRRW 	C37H53N13O7S	823.3912	NA	PeJP	NA	NA
+PJ044906	SSSSSLKE 	C32H57N9O16	823.3923	NA	PeJP	NA	NA
+PJ044907	ASSTTTKE 	C32H57N9O16	823.3924	NA	PeJP	NA	NA
+PJ044908	GTKKEMM 	C33H61N9O11S2	823.3932	NA	PeJP	NA	NA
+PJ044909	SNERRY 	C33H53N13O12	823.3937	NA	PeJP	NA	NA
+PJ044910	VLEMFW 	C41H57N7O9S	823.3939	NA	PeJP	NA	NA
+PJ044911	LMMHHR 	C34H57N13O7S2	823.3946	NA	PeJP	NA	NA
+PJ044912	THHHHR 	C34H49N17O8	823.395	NA	PeJP	NA	NA
+PJ044913	GTLLEEY 	C37H57N7O14	823.3964	NA	PeJP	NA	NA
+PJ044914	SSSTMRR 	C30H57N13O12S	823.3971	NA	PeJP	NA	NA
+PJ044915	GPLLMMY 	C38H61N7O9S2	823.3973	NA	PeJP	NA	NA
+PJ044916	GDKRYW 	C38H53N11O10	823.3977	NA	PeJP	NA	NA
+PJ044917	CKMMRR 	C31H61N13O7S3	823.3979	NA	PeJP	NA	NA
+PJ044918	SVLLMMM 	C35H65N7O9S3	823.4006	NA	PeJP	NA	NA
+PJ044919	VQQMRY 	C35H57N11O10S	823.4011	NA	PeJP	NA	NA
+PJ044920	AAKYWW 	C43H53N9O8	823.4017	NA	PeJP	NA	NA
+PJ044921	GGLHFFF 	C43H53N9O8	823.4018	NA	PeJP	NA	NA
+PJ044922	SSSSSTLR 	C31H57N11O15	823.4036	NA	PeJP	NA	NA
+PJ044923	GTTKMMR 	C32H61N11O10S2	823.4045	NA	PeJP	NA	NA
+PJ044924	GSPDHRR 	C32H53N15O11	823.4049	NA	PeJP	NA	NA
+PJ044925	GGGGGVQHR 	C32H53N15O11	823.405	NA	PeJP	NA	NA
+PJ044926	PCKKYW 	C40H57N9O8S	823.4051	NA	PeJP	NA	NA
+PJ044927	STTTTKW 	C36H57N9O13	823.4076	NA	PeJP	NA	NA
+PJ044928	TKKMMW 	C37H61N9O8S2	823.4085	NA	PeJP	NA	NA
+PJ044929	GSRRYW 	C37H53N13O9	823.409	NA	PeJP	NA	NA
+PJ044930	STTKKEM 	C33H61N9O13S	823.411	NA	PeJP	NA	NA
+PJ044931	TLLEYW 	C41H57N7O11	823.4116	NA	PeJP	NA	NA
+PJ044932	GVKKMMM 	C34H65N9O8S3	823.4119	NA	PeJP	NA	NA
+PJ044933	AQMRRY 	C34H57N13O9S	823.4123	NA	PeJP	NA	NA
+PJ044934	APKHWW 	C42H53N11O7	823.413	NA	PeJP	NA	NA
+PJ044935	GVLLEMY 	C38H61N7O11S	823.415	NA	PeJP	NA	NA
+PJ044936	NNQHRR 	C31H53N17O10	823.4162	NA	PeJP	NA	NA
+PJ044937	GKMFRW 	C39H57N11O7S	823.4164	NA	PeJP	NA	NA
+PJ044938	TQKERY 	C35H57N11O12	823.4188	NA	PeJP	NA	NA
+PJ044939	GATKERY 	C35H57N11O12	823.4189	NA	PeJP	NA	NA
+PJ044940	STTTKMR 	C32H61N11O12S	823.4222	NA	PeJP	NA	NA
+PJ044941	AKKEYW 	C40H57N9O10	823.4229	NA	PeJP	NA	NA
+PJ044942	KKMMMR 	C33H65N11O7S3	823.4231	NA	PeJP	NA	NA
+PJ044943	ACRRRY 	C33H57N15O8S	823.4236	NA	PeJP	NA	NA
+PJ044944	LLEMRY 	C37H61N9O10S	823.4262	NA	PeJP	NA	NA
+PJ044945	GGGVLKMY 	C37H61N9O10S	823.4263	NA	PeJP	NA	NA
+PJ044946	PVLFYW 	C45H57N7O8	823.4269	NA	PeJP	NA	NA
+PJ044947	SSSTTTLK 	C33H61N9O15	823.4287	NA	PeJP	NA	NA
+PJ044948	SSLKKMM 	C34H65N9O10S2	823.4296	NA	PeJP	NA	NA
+PJ044949	SDKRRY 	C34H57N13O11	823.4301	NA	PeJP	NA	NA
+PJ044950	VLLMYW 	C42H61N7O8S	823.4303	NA	PeJP	NA	NA
+PJ044951	SSLLLEY 	C38H61N7O13	823.4328	NA	PeJP	NA	NA
+PJ044952	GLLLMMF 	C39H65N7O8S2	823.4336	NA	PeJP	NA	NA
+PJ044953	ATKRYW 	C39H57N11O9	823.4341	NA	PeJP	NA	NA
+PJ044954	PCHRRR 	C32H57N17O7S	823.4348	NA	PeJP	NA	NA
+PJ044955	VQKMRY 	C36H61N11O9S	823.4375	NA	PeJP	NA	NA
+PJ044956	VKHFFF 	C44H57N9O7	823.4381	NA	PeJP	NA	NA
+PJ044957	SCCKKKK 	C33H65N11O9S2	823.4408	NA	PeJP	NA	NA
+PJ044958	SSRRRY 	C33H57N15O10	823.4413	NA	PeJP	NA	NA
+PJ044959	CLKKFW 	C41H61N9O7S	823.4415	NA	PeJP	NA	NA
+PJ044960	KKKEEY 	C37H61N9O12	823.444	NA	PeJP	NA	NA
+PJ044961	PTKHRW 	C38H57N13O8	823.4453	NA	PeJP	NA	NA
+PJ044962	GGVLHRW 	C38H57N13O8	823.4454	NA	PeJP	NA	NA
+PJ044963	GPVLLYY 	C42H61N7O10	823.448	NA	PeJP	NA	NA
+PJ044964	AKMRRY 	C35H61N13O8S	823.4487	NA	PeJP	NA	NA
+MJ095529	Chivosazole E 	C46H65NO12	823.450676	NA	MeJP	NA	NA
+C15732	Chivosazole E	C46H65NO12	823.4507	NA	KEGG	NA	NA
+PJ044965	ATLLLMY 	C39H65N7O10S	823.4514	NA	PeJP	NA	NA
+PJ044966	AEHRRR 	C32H57N17O9	823.4526	NA	PeJP	NA	NA
+3105	fragment of anafylatoxin C3a:70-77	ASHLGLAR	823.454	celiac toxic	Inhouse_peptide	NA	peptide
+3812	smooth muscles contracting peptide	ASHLGLAR	823.454	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ044967	TKKERY 	C36H61N11O11	823.4552	NA	PeJP	NA	NA
+PJ044968	GGPPVLER 	C36H61N11O11	823.4553	NA	PeJP	NA	NA
+PJ044969	GLHRRW 	C37H57N15O7	823.4566	NA	PeJP	NA	NA
+PJ044970	SLKKYW 	C41H61N9O9	823.4593	NA	PeJP	NA	NA
+PJ044971	PKMHRR 	C34H61N15O7S	823.4599	NA	PeJP	NA	NA
+PJ044972	AALKKMY 	C38H65N9O9S	823.4626	NA	PeJP	NA	NA
+PJ044973	VLLFFW 	C46H61N7O7	823.4633	NA	PeJP	NA	NA
+PJ044974	TTKRRY 	C35H61N13O10	823.4665	NA	PeJP	NA	NA
+PJ044975	TTTLLLY 	C39H65N7O12	823.4691	NA	PeJP	NA	NA
+PJ044976	GPPVLRW 	C40H61N11O8	823.4705	NA	PeJP	NA	NA
+MJ095530	Solanidine; O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] 	C43H69NO14	823.471805	NA	MeJP	NA	NA
+PJ044977	VKKMRY 	C37H65N11O8S	823.4739	NA	PeJP	NA	NA
+PJ044978	VKEHRR 	C34H61N15O9	823.4777	NA	PeJP	NA	NA
+PJ044979	ATTLKKY 	C38H65N9O11	823.4804	NA	PeJP	NA	NA
+PJ044980	PPLRRW 	C39H61N13O7	823.4817	NA	PeJP	NA	NA
+PJ044981	GVLLLFY 	C43H65N7O9	823.4844	NA	PeJP	NA	NA
+PJ044982	SLHRRR 	C33H61N17O8	823.4889	NA	PeJP	NA	NA
+PJ044983	PPVVKER 	C37H65N11O10	823.4916	NA	PeJP	NA	NA
+PJ044984	APPILKW 	C42H65N9O8	823.4956	NA	PeJP	NA	NA
+PJ044985	APPLLKW 	C42H65N9O8	823.4957	NA	PeJP	NA	NA
+PJ044986	VVLLLMH 	C39H69N9O8S	823.499	NA	PeJP	NA	NA
+PJ044987	SPPVLRR 	C36H65N13O9	823.5029	NA	PeJP	NA	NA
+PJ044988	LLKKHW 	C41H65N11O7	823.5069	NA	PeJP	NA	NA
+PJ044989	QKKKHR 	C35H65N15O8	823.5141	NA	PeJP	NA	NA
+PJ044990	PPLLKKE 	C39H69N9O10	823.5168	NA	PeJP	NA	NA
+PJ044991	PPTLLKR 	C38H69N11O9	823.528	NA	PeJP	NA	NA
+PJ044992	APVLLRR 	C37H69N13O8	823.5392	NA	PeJP	NA	NA
+PJ044993	GPLLLRR 	C37H69N13O8	823.5393	NA	PeJP	NA	NA
+PJ044994	KKKKHR 	C36H69N15O7	823.5505	NA	PeJP	NA	NA
+PJ044995	PLLLLQK 	C40H73N9O9	823.5532	NA	PeJP	NA	NA
+MJ095531	Chasmanine; 14-O-(4-Methoxybenzoyl), 8-O-hexadecanoyl 	C49H77NO9	823.559833	NA	MeJP	NA	NA
+PJ044996	PVVLLKR 	C39H73N11O8	823.5644	NA	PeJP	NA	NA
+PJ044997	PLLLLKK 	C41H77N9O8	823.5895	NA	PeJP	NA	NA
+HMDB09146	PE(18:3(6Z,9Z,12Z)/24:1(15Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09179	PE(18:3(9Z,12Z,15Z)/24:1(15Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09211	PE(18:4(6Z,9Z,12Z,15Z)/24:0)	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09240	PE(20:0/22:4(7Z,10Z,13Z,16Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09305	PE(20:2(11Z,14Z)/22:2(13Z,16Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09337	PE(20:3(5Z,8Z,11Z)/22:1(13Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09370	PE(20:3(8Z,11Z,14Z)/22:1(13Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09402	PE(20:4(5Z,8Z,11Z,14Z)/22:0)	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09435	PE(20:4(8Z,11Z,14Z,17Z)/22:0)	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09498	PE(22:0/20:4(5Z,8Z,11Z,14Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09499	PE(22:0/20:4(8Z,11Z,14Z,17Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09529	PE(22:1(13Z)/20:3(5Z,8Z,11Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09530	PE(22:1(13Z)/20:3(8Z,11Z,14Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09561	PE(22:2(13Z,16Z)/20:2(11Z,14Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09592	PE(22:4(7Z,10Z,13Z,16Z)/20:0)	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09723	PE(24:0/18:4(6Z,9Z,12Z,15Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09754	PE(24:1(15Z)/18:3(6Z,9Z,12Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB09755	PE(24:1(15Z)/18:3(9Z,12Z,15Z))	C47H86NO8P	823.609131	NA	HMDB2010	NA	NA
+HMDB08621	PC(22:2(13Z,16Z)/P-18:1(11Z))	C48H90NO7P	823.645508	NA	HMDB2010	NA	NA
+HMDB08622	PC(22:2(13Z,16Z)/P-18:1(9Z))	C48H90NO7P	823.645508	NA	HMDB2010	NA	NA
+HMDB11291	PC(P-18:1(11Z)/22:2(13Z,16Z))	C48H90NO7P	823.645508	NA	HMDB2010	NA	NA
+HMDB11324	PC(P-18:1(9Z)/22:2(13Z,16Z))	C48H90NO7P	823.645508	NA	HMDB2010	NA	NA
+HMDB13442	PC(o-20:0/20:4(8Z,11Z,14Z,17Z))	C48H90NO7P	823.645508	NA	HMDB2010	NA	NA
+MJ095532	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside 	C48H89NO9	823.653733	NA	MeJP	NA	NA
+EUR1136	SM(d18:1/26:3) [M-H-CH3]-	C49H94N2O6P	823.669301	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1136	SM(d18:1/26:3) [M-H-CH3]-	C49H94N2O6P	823.669301	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1136	SM(d18:1/26:3) [M-H-CH3]-	C49H94N2O6P	823.669301	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1136	SM(d18:1/26:3) [M-H-CH3]-	C49H94N2O6P	823.669301	masses lipides attendues	Inhousejuil11	NA	NA
+6996	potential coeliac toxic peptide (extended motif)	QPFPPQQPYPQPQP	823.8925	MH2+	Inhouse_peptide	NA	peptide
+5318	aurein 2,5	GLFDIVKKVVGAFGSL~	823.9774	MH2+	Inhouse_peptide	NA	peptide
+PJ044998	GCCCCCCM 	C25H44N8O9S7	824.1277	NA	PeJP	NA	NA
+PJ044999	STCCCCCC 	C25H44N8O11S6	824.1454	NA	PeJP	NA	NA
+MJ095533	Diazaphilonic acid 	C42H32O18	824.158864	NA	MeJP	NA	NA
+PJ045000	CCCCCQY 	C29H44N8O10S5	824.1784	NA	PeJP	NA	NA
+PJ045001	GPCCCCCH 	C28H44N10O9S5	824.1897	NA	PeJP	NA	NA
+FL5FAAGL0076	Kaempferol 3-(2'',3''-diacetyl-4''-(Z)-p-coumaryl-6''-(E)-p-coumarylglucoside)	C43H36O17	824.19524	137018-29-2	knapsack	NA	NA
+FL5FAAGL0077	Kaempferol 3-(3'',4''-diacetyl-2'',6''-di-(E)-p-coumarylglucoside)	C43H36O17	824.19524	137018-33-8	knapsack	NA	NA
+MJ095534	3,4',5,7-Tetrahydroxyflavone; 3-O-[3,6-Di-O-acetyl-2,4-di-O-(4-hydroxycinnamoyl)-?-D-glucopyranoside] 	C43H36O17	824.195249	NA	MeJP	NA	NA
+MJ095535	Astragalin; 2'',6''-Bis-O-(4-hydroxycinnamoyl), 3'',4''-di-Ac 	C43H36O17	824.195249	NA	MeJP	NA	NA
+MJ095536	Astragalin; 4''-O-(Z-4-Hydroxycinnamoyl), 6''-O-(E-4-hydroxycinnamoyl), 2'',3''-di-Ac 	C43H36O17	824.195249	NA	MeJP	NA	NA
+PJ045002	GSSCCCCY 	C29H44N8O12S4	824.1962	NA	PeJP	NA	NA
+PJ045003	CCCNDMH 	C28H44N10O11S4	824.2074	NA	PeJP	NA	NA
+PJ045004	CNDDDDE 	C28H40N8O19S	824.2131	NA	PeJP	NA	NA
+PJ045005	CCCCCKY 	C30H48N8O9S5	824.2148	NA	PeJP	NA	NA
+PJ045006	ACCCCHW 	C32H44N10O8S4	824.2227	NA	PeJP	NA	NA
+PJ045007	GSSCCCEH 	C28H44N10O13S3	824.2252	NA	PeJP	NA	NA
+PJ045008	GCDDDDW 	C32H40N8O16S	824.2283	NA	PeJP	NA	NA
+PJ045009	GCCCNYY 	C33H44N8O11S3	824.2292	NA	PeJP	NA	NA
+PJ045010	GSSDDDDD 	C28H40N8O21	824.2308	NA	PeJP	NA	NA
+PJ045011	GSPCCDDE 	C29H44N8O16S2	824.2317	NA	PeJP	NA	NA
+PJ045012	GPPCCCDM 	C30H48N8O11S4	824.2326	NA	PeJP	NA	NA
+PJ045013	SSCCCHW 	C32H44N10O10S3	824.2404	NA	PeJP	NA	NA
+PJ045014	SSSSCCDH 	C28H44N10O15S2	824.2429	NA	PeJP	NA	NA
+PJ045015	GGGGGGCDDM 	C28H44N10O15S2	824.243	NA	PeJP	NA	NA
+PJ045016	SCCNMMH 	C29H48N10O10S4	824.2438	NA	PeJP	NA	NA
+PJ045017	SPCCDDW 	C33H44N8O13S2	824.247	NA	PeJP	NA	NA
+PJ045018	SNDDDEM 	C29H44N8O18S	824.2495	NA	PeJP	NA	NA
+PJ045019	PCNDDMM 	C30H48N8O13S3	824.2503	NA	PeJP	NA	NA
+PJ045020	GSCCNNNN 	C27H44N12O14S2	824.2542	NA	PeJP	NA	NA
+PJ045021	CDMMYY 	C35H48N6O11S3	824.2543	NA	PeJP	NA	NA
+PJ045022	TCCCCHR 	C28H48N12O9S4	824.255	NA	PeJP	NA	NA
+PJ045023	GCCNNEW 	C32H44N10O12S2	824.2582	NA	PeJP	NA	NA
+PJ045024	SCDDDDR 	C28H44N10O17S	824.2607	NA	PeJP	NA	NA
+PJ045025	PCCCDER 	C29H48N10O12S3	824.2616	NA	PeJP	NA	NA
+PJ045026	GSDDDMW 	C33H44N8O15S	824.2647	NA	PeJP	NA	NA
+PJ045027	GPCCEMW 	C34H48N8O10S3	824.2656	NA	PeJP	NA	NA
+PJ045028	GSSSDDEE 	C29H44N8O20	824.2672	NA	PeJP	NA	NA
+PJ045029	GNDEEMM 	C30H48N8O15S2	824.2681	NA	PeJP	NA	NA
+PJ045030	CDDFYY 	C38H44N6O13S	824.2687	NA	PeJP	NA	NA
+PJ045031	GSPPCCMM 	C31H52N8O10S4	824.269	NA	PeJP	NA	NA
+PJ045032	PCCNDHH 	C31H44N12O11S2	824.2694	NA	PeJP	NA	NA
+PJ045033	CMMMFY 	C36H52N6O8S4	824.273	NA	PeJP	NA	NA
+PJ045034	CCNNWW 	C36H44N10O9S2	824.2734	NA	PeJP	NA	NA
+PJ045035	GGGGCCWW 	C36H44N10O9S2	824.2735	NA	PeJP	NA	NA
+FL5FAAGI0011	Ikarisoside C	C38H48O20	824.27389	113558-11-5	knapsack	NA	NA
+MJ095537	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C38H48O20	824.273893	NA	MeJP	NA	NA
+MJ095538	Neooleuropein; 6'-O-?-D-Glucopyranosyl 	C38H48O20	824.273893	NA	MeJP	NA	NA
+MJ095539	Ussurienoside I; O-De-Me, 3'-O-[4-methoxy-E-cinnamoyl-(?2)-?-D-glucopyranoside] 	C38H48O20	824.273893	NA	MeJP	NA	NA
+PJ045036	SSCNNDW 	C32H44N10O14S	824.2759	NA	PeJP	NA	NA
+PJ045037	GGSSCNDW 	C32H44N10O14S	824.276	NA	PeJP	NA	NA
+PJ045038	GCCQMHF 	C33H48N10O9S3	824.2768	NA	PeJP	NA	NA
+PJ045039	SSSSNNDD 	C28H44N10O19	824.2784	NA	PeJP	NA	NA
+PJ045040	GGSSSSNDD 	C28H44N10O19	824.2785	NA	PeJP	NA	NA
+PJ045041	GCDDEMR 	C29H48N10O14S2	824.2793	NA	PeJP	NA	NA
+PJ045042	SCDEWW 	C37H44N8O12S	824.28	NA	PeJP	NA	NA
+PJ045043	TCCCKMH 	C30H52N10O9S4	824.2802	NA	PeJP	NA	NA
+PJ045044	PCCMWW 	C38H48N8O7S3	824.2808	NA	PeJP	NA	NA
+PJ045045	SSSDDEW 	C33H44N8O17	824.2825	NA	PeJP	NA	NA
+PJ045046	NDEMMW 	C34H48N8O12S2	824.2833	NA	PeJP	NA	NA
+PJ045047	GGPPCCEY 	C34H48N8O12S2	824.2834	NA	PeJP	NA	NA
+PJ045048	SSNEEEM 	C30H48N8O17S	824.2858	NA	PeJP	NA	NA
+PJ045049	GGSSEEEM 	C30H48N8O17S	824.2859	NA	PeJP	NA	NA
+PJ045050	SDDYYY 	C38H44N6O15	824.2865	NA	PeJP	NA	NA
+PJ045051	SPNDMMM 	C31H52N8O12S3	824.2867	NA	PeJP	NA	NA
+PJ045052	GNDDMHH 	C31H44N12O13S	824.2872	NA	PeJP	NA	NA
+PJ045053	CDMFFY 	C39H48N6O10S2	824.2874	NA	PeJP	NA	NA
+PJ045054	GCCCHFR 	C32H48N12O8S3	824.2881	NA	PeJP	NA	NA
+PJ045055	SCCNNER 	C28H48N12O13S2	824.2905	NA	PeJP	NA	NA
+PJ045056	GGSCCNER 	C28H48N12O13S2	824.2906	NA	PeJP	NA	NA
+PJ045057	SMMMYY 	C36H52N6O10S3	824.2907	NA	PeJP	NA	NA
+PJ045058	GNNNDEY 	C32H44N10O16	824.2937	NA	PeJP	NA	NA
+PJ045059	CDDMRW 	C33H48N10O11S2	824.2946	NA	PeJP	NA	NA
+PJ045060	SSDDDMR 	C29H48N10O16S	824.2971	NA	PeJP	NA	NA
+PJ045061	NDDEFW 	C37H44N8O14	824.2977	NA	PeJP	NA	NA
+PJ045062	SPCCEMR 	C30H52N10O11S3	824.2979	NA	PeJP	NA	NA
+PJ045063	GGGNQMMM 	C30H52N10O11S3	824.298	NA	PeJP	NA	NA
+PJ045064	SCNNNHH 	C30H44N14O12S	824.2984	NA	PeJP	NA	NA
+PJ045065	GDMMWW 	C38H48N8O9S2	824.2986	NA	PeJP	NA	NA
+PJ045066	GSSEEMW 	C34H48N8O14S	824.3011	NA	PeJP	NA	NA
+PJ045067	GPTCMMW 	C35H52N8O9S3	824.302	NA	PeJP	NA	NA
+PJ045068	CNEHHW 	C35H44N12O10S	824.3024	NA	PeJP	NA	NA
+PJ045069	GSSSTEEE 	C30H48N8O19	824.3036	NA	PeJP	NA	NA
+PJ045070	GTQEEMM 	C31H52N8O14S2	824.3045	NA	PeJP	NA	NA
+PJ045071	SSNDEHH 	C31H44N12O15	824.3049	NA	PeJP	NA	NA
+PJ045072	GGSSDEHH 	C31H44N12O15	824.305	NA	PeJP	NA	NA
+PJ045073	GEMYYY 	C39H48N6O12S	824.3051	NA	PeJP	NA	NA
+PJ045074	GPQMMMM 	C32H56N8O9S4	824.3053	NA	PeJP	NA	NA
+PJ045075	GGAPMMMM 	C32H56N8O9S4	824.3054	NA	PeJP	NA	NA
+PJ045076	GSCCNRW 	C32H48N12O10S2	824.3058	NA	PeJP	NA	NA
+PJ045077	CMMFFF 	C40H52N6O7S3	824.306	NA	PeJP	NA	NA
+MJ095540	Antibiotic A 21459B 	C40H44N10O8S	824.306429	NA	MeJP	NA	NA
+PJ045078	GSSSCNDR 	C28H48N12O15S	824.3083	NA	PeJP	NA	NA
+PJ045079	NNNDYW 	C36H44N10O13	824.309	NA	PeJP	NA	NA
+PJ045080	GCNNMMR 	C29H52N12O10S3	824.3092	NA	PeJP	NA	NA
+PJ045081	SSSNNMW 	C33H48N10O13S	824.3123	NA	PeJP	NA	NA
+PJ045082	GGGGGGPTCY 	C33H48N10O13S	824.3124	NA	PeJP	NA	NA
+PJ045083	GDDFWW 	C41H44N8O11	824.313	NA	PeJP	NA	NA
+PJ045084	PPCCCFR 	C34H52N10O8S3	824.3132	NA	PeJP	NA	NA
+PJ045085	SSSSSNQE 	C29H48N10O18	824.3148	NA	PeJP	NA	NA
+PJ045086	GSDEMMR 	C30H52N10O13S2	824.3157	NA	PeJP	NA	NA
+PJ045087	SSEMWW 	C38H48N8O11S	824.3163	NA	PeJP	NA	NA
+PJ045088	PNDMYW 	C38H48N8O11S	824.3164	NA	PeJP	NA	NA
+PJ045089	GPCMMMR 	C31H56N10O8S4	824.3166	NA	PeJP	NA	NA
+PJ045090	GCHHWW 	C39H44N12O7S	824.3177	NA	PeJP	NA	NA
+PJ045091	SSSTEEW 	C34H48N8O16	824.3188	NA	PeJP	NA	NA
+PJ045092	QQEEEY 	C34H48N8O16	824.3189	NA	PeJP	NA	NA
+PJ045093	TQEMMW 	C35H52N8O11S2	824.3197	NA	PeJP	NA	NA
+PJ045094	GSSDHHW 	C35H44N12O12	824.3202	NA	PeJP	NA	NA
+PJ045095	MYYYW 	C43H48N6O9S	824.3204	NA	PeJP	NA	NA
+PJ045096	SSDKEEM 	C31H52N8O16S	824.3222	NA	PeJP	NA	NA
+PJ045097	STEYYY 	C39H48N6O14	824.3229	NA	PeJP	NA	NA
+PJ045098	GVQEMMM 	C32H56N8O11S3	824.3231	NA	PeJP	NA	NA
+PJ045099	GCNNDFR 	C32H48N12O12S	824.3236	NA	PeJP	NA	NA
+PJ045100	AMMFYY 	C40H52N6O9S2	824.3237	NA	PeJP	NA	NA
+MJ095541	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-O-(2-Acetoxy-3-phenyl-2Z-propenoyl), hexa-Ac 	C43H52O16	824.325535	NA	MeJP	NA	NA
+MJ095542	Saquayamycin A; 2'',3'',2C'',3C''-Tetrahydro 	C43H52O16	824.325535	NA	MeJP	NA	NA
+PJ045101	SSCNQMR 	C29H52N12O12S2	824.3269	NA	PeJP	NA	NA
+PJ045102	GGGGSTCMR 	C29H52N12O12S2	824.327	NA	PeJP	NA	NA
+PJ045103	NNNMFW 	C37H48N10O10S	824.3276	NA	PeJP	NA	NA
+PJ045104	GSSSSSQW 	C33H48N10O15	824.3301	NA	PeJP	NA	NA
+PJ045105	SDMMRW 	C34H52N10O10S2	824.331	NA	PeJP	NA	NA
+PJ045106	EEHHHH 	C34H44N14O11	824.3314	NA	PeJP	NA	NA
+PJ045107	APCYWW 	C42H48N8O8S	824.3316	NA	PeJP	NA	NA
+PJ045108	SSSEEMR 	C30H52N10O15S	824.3335	NA	PeJP	NA	NA
+PJ045109	AQEEYW 	C38H48N8O13	824.3341	NA	PeJP	NA	NA
+PJ045110	QEMMMR 	C31H56N10O10S3	824.3343	NA	PeJP	NA	NA
+PJ045111	GGGGGKMMM 	C31H56N10O10S3	824.3344	NA	PeJP	NA	NA
+PJ045112	GSCEHHR 	C31H48N14O11S	824.3348	NA	PeJP	NA	NA
+PJ045113	ATMMWW 	C39H52N8O8S2	824.335	NA	PeJP	NA	NA
+MJ095543	Aclacinomycin A; 2c-Amino, 2c,3c-didehydro 	C42H52N2O15	824.336769	NA	MeJP	NA	NA
+MJ095544	Rudolfomycin; 1-Deoxy 	C42H52N2O15	824.336769	NA	MeJP	NA	NA
+PJ045114	GTTTEMW 	C35H52N8O13S	824.3375	NA	PeJP	NA	NA
+PJ045115	GPYYYY 	C43H48N6O11	824.3381	NA	PeJP	NA	NA
+PJ045116	SSCCNRR 	C28H52N14O11S2	824.3382	NA	PeJP	NA	NA
+PJ045117	VQMMMW 	C36H56N8O8S3	824.3384	NA	PeJP	NA	NA
+PJ045118	SQMHHW 	C36H48N12O9S	824.3388	NA	PeJP	NA	NA
+PJ045119	SSSSSLEE 	C31H52N8O18	824.34	NA	PeJP	NA	NA
+PJ045120	ASSPTTMM 	C32H56N8O13S2	824.3408	NA	PeJP	NA	NA
+PJ045121	GTKEEMM 	C32H56N8O13S2	824.3409	NA	PeJP	NA	NA
+PJ045122	GSNNDRY 	C32H48N12O14	824.3413	NA	PeJP	NA	NA
+PJ045123	GGGGGGPTEH 	C32H48N12O14	824.3414	NA	PeJP	NA	NA
+PJ045124	SVMYYY 	C40H52N6O11S	824.3415	NA	PeJP	NA	NA
+PJ045125	GPKMMMM 	C33H60N8O8S4	824.3417	NA	PeJP	NA	NA
+PJ045126	AAQMMHH 	C33H52N12O9S2	824.3422	NA	PeJP	NA	NA
+PJ045127	GSNHHHH 	C33H44N16O10	824.3427	NA	PeJP	NA	NA
+PJ045128	PPCHWW 	C41H48N10O7S	824.3429	NA	PeJP	NA	NA
+MJ095545	3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-dizepine-1,3(2H)-diyl]bis(methylene)]bis[N-1H-benzimidazol-2-ylbenzamide] 	C49H44N8O5	824.343466	NA	MeJP	NA	NA
+PJ045129	GSSSSNMR 	C29H52N12O14S	824.3447	NA	PeJP	NA	NA
+PJ045130	ADDRYW 	C37H48N10O12	824.3453	NA	PeJP	NA	NA
+PJ045131	GDERYW 	C37H48N10O12	824.3454	NA	PeJP	NA	NA
+PJ045132	CEMMRR 	C30H56N12O9S3	824.3456	NA	PeJP	NA	NA
+PJ045133	SSSCQKW 	C34H52N10O12S	824.3487	NA	PeJP	NA	NA
+PJ045134	AAEYWW 	C42H48N8O10	824.3494	NA	PeJP	NA	NA
+PJ045135	AMMMRW 	C35H56N10O7S3	824.3496	NA	PeJP	NA	NA
+PJ045136	SCHHRW 	C35H48N14O8S	824.3501	NA	PeJP	NA	NA
+PJ045137	SSSSSNKE 	C30H52N10O17	824.3512	NA	PeJP	NA	NA
+PJ045138	GTTEMMR 	C31H56N10O12S2	824.3521	NA	PeJP	NA	NA
+PJ045139	GNNQQQH 	C31H48N14O13	824.3525	NA	PeJP	NA	NA
+PJ045140	SSSDHHR 	C31H48N14O13	824.3526	NA	PeJP	NA	NA
+PJ045141	TTTMWW 	C39H52N8O10S	824.3527	NA	PeJP	NA	NA
+PJ045142	GGVEMFW 	C39H52N8O10S	824.3528	NA	PeJP	NA	NA
+PJ045143	FFYYW 	C47H48N6O8	824.3534	NA	PeJP	NA	NA
+PJ045144	STTTTEW 	C35H52N8O15	824.3552	NA	PeJP	NA	NA
+PJ045145	GAKEEEY 	C35H52N8O15	824.3553	NA	PeJP	NA	NA
+PJ045146	TKEMMW 	C36H56N8O10S2	824.3561	NA	PeJP	NA	NA
+PJ045147	PDDHRW 	C36H48N12O11	824.3566	NA	PeJP	NA	NA
+PJ045148	AMFFFY 	C44H52N6O8S	824.3568	NA	PeJP	NA	NA
+PJ045149	STTKEEM 	C32H56N8O15S	824.3586	NA	PeJP	NA	NA
+PJ045150	GVKEMMM 	C33H60N8O10S3	824.3595	NA	PeJP	NA	NA
+PJ045151	NNQMRY 	C33H52N12O11S	824.3599	NA	PeJP	NA	NA
+PJ045152	GGNQMRY 	C33H52N12O11S	824.36	NA	PeJP	NA	NA
+PJ045153	DRYWW 	C41H48N10O9	824.3606	NA	PeJP	NA	NA
+MJ095546	Pulcherriminic acid; Fe complex 	C36H60FeN6O12	824.361863	NA	MeJP	NA	NA
+PJ045154	SSSSSSQR 	C29H52N12O16	824.3624	NA	PeJP	NA	NA
+PJ045155	GASSSSSSR 	C29H52N12O16	824.3625	NA	PeJP	NA	NA
+PJ045156	SSCNKMR 	C30H56N12O11S2	824.3633	NA	PeJP	NA	NA
+PJ045157	GNNNNHR 	C30H48N16O12	824.3638	NA	PeJP	NA	NA
+PJ045158	PTCRYW 	C38H52N10O9S	824.364	NA	PeJP	NA	NA
+PJ045159	TFWWW 	C46H48N8O7	824.3646	NA	PeJP	NA	NA
+PJ045160	GSSSSSKW 	C34H52N10O14	824.3665	NA	PeJP	NA	NA
+PJ045161	TTMMRW 	C35H56N10O9S2	824.3673	NA	PeJP	NA	NA
+PJ045162	GTCCKKW 	C35H56N10O9S2	824.3674	NA	PeJP	NA	NA
+PJ045163	NDHHFR 	C35H48N14O10	824.3678	NA	PeJP	NA	NA
+PJ045164	GVMFWW 	C43H52N8O7S	824.368	NA	PeJP	NA	NA
+PJ045165	STTTEMR 	C31H56N10O14S	824.3698	NA	PeJP	NA	NA
+PJ045166	GSSSCKKE 	C31H56N10O14S	824.3699	NA	PeJP	NA	NA
+PJ045167	AKEEYW 	C39H52N8O12	824.3705	NA	PeJP	NA	NA
+PJ045168	KEMMMR 	C32H60N10O9S3	824.3707	NA	PeJP	NA	NA
+PJ045169	CNNRRY 	C32H52N14O10S	824.3712	NA	PeJP	NA	NA
+PJ045170	LMMHFF 	C40H56N8O7S2	824.3714	NA	PeJP	NA	NA
+PJ045171	AQHHFW 	C40H48N12O8	824.3718	NA	PeJP	NA	NA
+PJ045172	GAAHHFW 	C40H48N12O8	824.3719	NA	PeJP	NA	NA
+MJ095547	Tolypomycin R 	C43H56N2O14	824.373154	NA	MeJP	NA	NA
+PJ045173	SSTTLMW 	C36H56N8O12S	824.3739	NA	PeJP	NA	NA
+PJ045174	GLFYYY 	C44H52N6O10	824.3745	NA	PeJP	NA	NA
+PJ045175	VKMMMW 	C37H60N8O7S3	824.3747	NA	PeJP	NA	NA
+PJ045176	SKMHHW 	C37H52N12O8S	824.3752	NA	PeJP	NA	NA
+PJ045177	SSSTTTLE 	C32H56N8O17	824.3764	NA	PeJP	NA	NA
+PJ045178	SSLKEMM 	C33H60N8O12S2	824.3772	NA	PeJP	NA	NA
+PJ045179	SDERRY 	C33H52N12O13	824.3777	NA	PeJP	NA	NA
+PJ045180	GGGGGGGGGPPV 	C33H52N12O13	824.3778	NA	PeJP	NA	NA
+PJ045181	PCMRRY 	C34H56N12O8S2	824.3786	NA	PeJP	NA	NA
+PJ045182	MFRWW 	C42H52N10O6S	824.3792	NA	PeJP	NA	NA
+PJ045183	GSSSTCKR 	C30H56N12O13S	824.3811	NA	PeJP	NA	NA
+6993	potential coeliac toxic peptide (extended motif)	LQPQNPSQQQPQEQ	824.38145	MH2+	Inhouse_peptide	NA	peptide
+PJ045184	ATERYW 	C38H52N10O11	824.3817	NA	PeJP	NA	NA
+PJ045185	GGGGGVQFF 	C38H52N10O11	824.3818	NA	PeJP	NA	NA
+PJ045186	TMMMRR 	C31H60N12O8S3	824.382	NA	PeJP	NA	NA
+MJ095548	2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid, 23-Carboxylic acid, 3-O-?-D-glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C41H60O17	824.38305	NA	MeJP	NA	NA
+MJ095549	Bryostatin 7 	C41H60O17	824.38305	NA	MeJP	NA	NA
+MJ095550	Fevicordin F; 22-Ketone, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H60O17	824.38305	NA	MeJP	NA	NA
+MJ095551	Fevicordin F; 6,7-Didehydro, 2-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C41H60O17	824.38305	NA	MeJP	NA	NA
+MJ095552	Fevicordin F; 6,7-Didehydro, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H60O17	824.38305	NA	MeJP	NA	NA
+PJ045187	SSSCKKW 	C35H56N10O11S	824.3851	NA	PeJP	NA	NA
+PJ045188	ASLYWW 	C43H52N8O9	824.3857	NA	PeJP	NA	NA
+PJ045189	GTLYWW 	C43H52N8O9	824.3858	NA	PeJP	NA	NA
+PJ045190	SSSSSDKK 	C31H56N10O16	824.3876	NA	PeJP	NA	NA
+PJ045191	SSTLMMR 	C32H60N10O11S2	824.3885	NA	PeJP	NA	NA
+PJ045192	SSTTHHR 	C32H52N14O12	824.3889	NA	PeJP	NA	NA
+PJ045193	GGAAQEHR 	C32H52N14O12	824.389	NA	PeJP	NA	NA
+PJ045194	PTKMYW 	C40H56N8O9S	824.3891	NA	PeJP	NA	NA
+PJ045195	AFFFFF 	C48H52N6O7	824.3898	NA	PeJP	NA	NA
+PJ045196	KKEEEY 	C36H56N8O14	824.3916	NA	PeJP	NA	NA
+PJ045197	GPVKMMY 	C37H60N8O9S2	824.3925	NA	PeJP	NA	NA
+PJ045198	PTEHRW 	C37H52N12O10	824.393	NA	PeJP	NA	NA
+PJ045199	SSSSTLLM 	C33H60N8O14S	824.395	NA	PeJP	NA	NA
+PJ045200	ATLKMMM 	C34H64N8O9S3	824.3959	NA	PeJP	NA	NA
+PJ045201	AEMRRY 	C34H56N12O10S	824.3963	NA	PeJP	NA	NA
+PJ045202	GGGGKMRY 	C34H56N12O10S	824.3964	NA	PeJP	NA	NA
+PJ045203	SPLHWW 	C42H52N10O8	824.397	NA	PeJP	NA	NA
+PJ045204	SSSSSSKR 	C30H56N12O15	824.3988	NA	PeJP	NA	NA
+C07204	Vincristine	C46H56N4O10	824.3996	NA	KEGG	NA	NA
+MJ095553	Carosine 	C46H56N4O10	824.399644	NA	MeJP	NA	NA
+MJ095554	Leurosine; 21'-Hydroxy 	C46H56N4O10	824.399644	NA	MeJP	NA	NA
+MJ095555	Leurosine; N4'-Oxide 	C46H56N4O10	824.399644	NA	MeJP	NA	NA
+MJ095556	Vinamidine 	C46H56N4O10	824.399644	NA	MeJP	NA	NA
+MJ095557	Vincristine 	C46H56N4O10	824.399644	NA	MeJP	NA	NA
+PJ045205	STCCKKR 	C31H60N12O10S2	824.3997	NA	PeJP	NA	NA
+PJ045206	NNEHRR 	C31H52N16O11	824.4002	NA	PeJP	NA	NA
+PJ045207	GLMRYW 	C39H56N10O8S	824.4004	NA	PeJP	NA	NA
+PJ045208	SPTTTRY 	C35H56N10O13	824.4028	NA	PeJP	NA	NA
+PJ045209	TKEERY 	C35H56N10O13	824.4029	NA	PeJP	NA	NA
+PJ045210	PKMMRY 	C36H60N10O8S2	824.4037	NA	PeJP	NA	NA
+PJ045211	AQQHRW 	C36H52N14O9	824.4042	NA	PeJP	NA	NA
+PJ045212	GSSSTKKM 	C32H60N10O13S	824.4062	NA	PeJP	NA	NA
+PJ045213	SLKEYW 	C40H56N8O11	824.4069	NA	PeJP	NA	NA
+PJ045214	GCKKKMM 	C33H64N10O8S3	824.4071	NA	PeJP	NA	NA
+PJ045215	PEMHRR 	C33H56N14O9S	824.4076	NA	PeJP	NA	NA
+PJ045216	AKHHFW 	C41H52N12O7	824.4082	NA	PeJP	NA	NA
+PJ045217	SSPLKMY 	C37H60N8O11S	824.4102	NA	PeJP	NA	NA
+PJ045218	AALKEMY 	C37H60N8O11S	824.4103	NA	PeJP	NA	NA
+PJ045219	PVMHRW 	C38H56N12O7S	824.4116	NA	PeJP	NA	NA
+PJ045220	STTTTTTL 	C33H60N8O16	824.4127	NA	PeJP	NA	NA
+PJ045221	TTTLKMM 	C34H64N8O11S2	824.4136	NA	PeJP	NA	NA
+PJ045222	TTERRY 	C34H56N12O12	824.4141	NA	PeJP	NA	NA
+PJ045223	CLMFRR 	C35H60N12O7S2	824.415	NA	PeJP	NA	NA
+PJ045224	GNHRRW 	C35H52N16O8	824.4154	NA	PeJP	NA	NA
+PJ045225	GGGHRRW 	C35H52N16O8	824.4155	NA	PeJP	NA	NA
+PJ045226	STLRYW 	C39H56N10O10	824.4181	NA	PeJP	NA	NA
+MJ095558	1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 1-Ac 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095559	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095560	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095561	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 30-Me ester 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095562	3,24-Dihydroxy-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095563	3,25-Dihydroxy-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095564	3,25-Dihydroxy-18-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095565	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-?-D-glucopyranosyl ester 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095566	Bryostatin 14 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095567	Glaucogenin C; 7?-Hydroxy, 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] 	C42H64O16	824.419436	NA	MeJP	NA	NA
+MJ095568	Tubocapsigenin A; 1-Ac, 3-O-[?-D-glucopyranosyl(1?6)-?-D-glucopyranoside] 	C42H64O16	824.419436	NA	MeJP	NA	NA
+PJ045227	VKEMRY 	C36H60N10O10S	824.4215	NA	PeJP	NA	NA
+PJ045228	PTKFFW 	C44H56N8O8	824.4221	NA	PeJP	NA	NA
+PJ045229	GGVLFFW 	C44H56N8O8	824.4222	NA	PeJP	NA	NA
+PJ045230	SSSSTTKK 	C32H60N10O15	824.424	NA	PeJP	NA	NA
+PJ045231	STCKKKM 	C33H64N10O10S2	824.4249	NA	PeJP	NA	NA
+PJ045232	VEEHRR 	C33H56N14O11	824.4253	NA	PeJP	NA	NA
+PJ045233	GGGPPERR 	C33H56N14O11	824.4254	NA	PeJP	NA	NA
+PJ045234	VVKMYW 	C41H60N8O8S	824.4255	NA	PeJP	NA	NA
+8097	NAP	NAPVSIPQ	824.4259	inhibitor	Inhouse_peptide	NA	peptide
+PJ045235	ATTLKEY 	C37H60N8O13	824.428	NA	PeJP	NA	NA
+PJ045236	GVLKMMF 	C38H64N8O8S2	824.4289	NA	PeJP	NA	NA
+PJ045237	VVEHRW 	C38H56N12O9	824.4294	NA	PeJP	NA	NA
+PJ045238	SLMRRY 	C35H60N12O9S	824.4327	NA	PeJP	NA	NA
+PJ045239	ALLHWW 	C43H56N10O7	824.4334	NA	PeJP	NA	NA
+PJ045240	NDKHRR 	C32H56N16O10	824.4366	NA	PeJP	NA	NA
+PJ045241	PKMFFR 	C40H60N10O7S	824.4368	NA	PeJP	NA	NA
+PJ045242	SSSLLRY 	C36H60N10O12	824.4392	NA	PeJP	NA	NA
+PJ045243	GSDKKKY 	C36H60N10O12	824.4393	NA	PeJP	NA	NA
+PJ045244	LKMMFR 	C37H64N10O7S2	824.4401	NA	PeJP	NA	NA
+PJ045245	PPNRRW 	C37H56N14O8	824.4406	NA	PeJP	NA	NA
+C15713	Nodularin	C41H60N8O10	824.4432	NA	KEGG	NA	NA
+MJ095569	Nodularin 	C41H60N8O10	824.44324	NA	MeJP	NA	NA
+PJ045246	APPLLEW 	C41H60N8O10	824.4433	NA	PeJP	NA	NA
+PJ045247	GPCKKHR 	C34H60N14O8S	824.444	NA	PeJP	NA	NA
+PJ045248	GTLLKMY 	C38H64N8O10S	824.4466	NA	PeJP	NA	NA
+PJ045249	GPPPTLLM 	C38H64N8O10S	824.4467	NA	PeJP	NA	NA
+PJ045250	SNHRRR 	C31H56N18O9	824.4478	NA	PeJP	NA	NA
+PJ045251	GSSKKRY 	C35H60N12O11	824.4505	NA	PeJP	NA	NA
+MJ095570	Cyclotheonamide E; Cyclotheonamide E3 	C40H60N10O9	824.454473	NA	MeJP	NA	NA
+MJ095571	Podacycline A 	C40H60N10O9	824.454473	NA	MeJP	NA	NA
+PJ045252	LLKEHW 	C40H60N10O9	824.4545	NA	PeJP	NA	NA
+C08990	Yiamoloside B	C43H68O15	824.4558	NA	KEGG	NA	NA
+MJ095572	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-oleandropyranoside] 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095573	3,24-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside], Me ester 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095574	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095575	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 30-Me ester 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095576	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 30-Me ester 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095577	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 30-Me ester 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095578	Cimigenol; 3-O-[?-D-Glucopyranosyl-(1?3)-xylopyranoside], 25-Ac 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095579	Polycavernoside A2; 4B-Me ether 	C43H68O15	824.455821	NA	MeJP	NA	NA
+MJ095580	Shengmanol; 23-Ac, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-xylopyranoside] 	C43H68O15	824.455821	NA	MeJP	NA	NA
+PJ045253	QKKKMY 	C37H64N10O9S	824.4579	NA	PeJP	NA	NA
+PJ045254	VVKFFW 	C45H60N8O7	824.4585	NA	PeJP	NA	NA
+PJ045255	GPPDKRR 	C34H60N14O10	824.4617	NA	PeJP	NA	NA
+PJ045256	STTLLKY 	C38H64N8O12	824.4644	NA	PeJP	NA	NA
+PJ045257	TLLHRW 	C39H60N12O8	824.4657	NA	PeJP	NA	NA
+PJ045258	GGLKKHW 	C39H60N12O8	824.4658	NA	PeJP	NA	NA
+PJ045259	CKKKRY 	C36H64N12O8S	824.4691	NA	PeJP	NA	NA
+7045	aurein 2,5	GLFDIVKKVVGAFGSL	824.46945	MH2+	Inhouse_peptide	NA	peptide
+PJ045260	GSPPRRR 	C33H60N16O9	824.473	NA	PeJP	NA	NA
+PJ045261	GTTKKKY 	C37H64N10O11	824.4756	NA	PeJP	NA	NA
+PJ045262	GAPPLDKK 	C37H64N10O11	824.4757	NA	PeJP	NA	NA
+PJ045263	AKKHRW 	C38H60N14O7	824.477	NA	PeJP	NA	NA
+PJ045264	SPPLLLW 	C42H64N8O9	824.4797	NA	PeJP	NA	NA
+PJ045265	LLMHRR 	C35H64N14O7S	824.4803	NA	PeJP	NA	NA
+MJ095581	Chevalierin A; S3-Oxide 	C39H68N8O9S	824.482996	NA	MeJP	NA	NA
+PJ045266	AAPPLLLM 	C39H68N8O9S	824.483	NA	PeJP	NA	NA
+PJ045267	SSLLLHR 	C36H64N12O10	824.4869	NA	PeJP	NA	NA
+PJ045268	GPPLKKW 	C41H64N10O8	824.4909	NA	PeJP	NA	NA
+MJ095582	Didemnaketal A 	C44H72O14	824.492207	NA	MeJP	NA	NA
+PJ045269	KKKKMY 	C38H68N10O8S	824.4943	NA	PeJP	NA	NA
+PJ045270	APPTKRR 	C35H64N14O9	824.4981	NA	PeJP	NA	NA
+PJ045271	PLLLLQE 	C39H68N8O11	824.5008	NA	PeJP	NA	NA
+PJ045272	VKKKHW 	C40H64N12O7	824.5021	NA	PeJP	NA	NA
+PJ045273	PLQRRR 	C34H64N16O8	824.5093	NA	PeJP	NA	NA
+PJ045274	GAPLRRR 	C34H64N16O8	824.5094	NA	PeJP	NA	NA
+PJ045275	PVVLLER 	C38H68N10O10	824.512	NA	PeJP	NA	NA
+PJ045276	APLLLLW 	C43H68N8O8	824.516	NA	PeJP	NA	NA
+PJ045277	SPPLKKR 	C37H68N12O9	824.5233	NA	PeJP	NA	NA
+PJ045278	KKKKFF 	C42H68N10O7	824.5273	NA	PeJP	NA	NA
+MJ095583	Pregnane-3,12,14,17,20-pentol, 12,20-Bis(3-methylbutanoyl), 3-O-[2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranoside] 	C45H76O13	824.528592	NA	MeJP	NA	NA
+MJ095584	Minopafant 	C46H73N4O9(+)	824.529929	NA	MeJP	NA	NA
+PJ045279	GPVLKRR 	C36H68N14O8	824.5345	NA	PeJP	NA	NA
+PJ045280	PLLLLKE 	C40H72N8O10	824.5372	NA	PeJP	NA	NA
+PJ045281	PLKRRR 	C35H68N16O7	824.5457	NA	PeJP	NA	NA
+PJ045282	PTLLLLR 	C39H72N10O9	824.5484	NA	PeJP	NA	NA
+HMDB10612	PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	C46H81O10P	824.556763	NA	HMDB2010	NA	NA
+HMDB10613	PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C46H81O10P	824.556763	NA	HMDB2010	NA	NA
+HMDB10626	PG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C46H81O10P	824.556763	NA	HMDB2010	NA	NA
+HMDB10641	PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C46H81O10P	824.556763	NA	HMDB2010	NA	NA
+PJ045283	APLLKKR 	C38H72N12O8	824.5596	NA	PeJP	NA	NA
+MJ095585	Maclafungin 	C46H80O12	824.564978	NA	MeJP	NA	NA
+PJ045284	LLLLLLQ 	C41H76N8O9	824.5736	NA	PeJP	NA	NA
+PJ045285	VVLLLLR 	C40H76N10O8	824.5848	NA	PeJP	NA	NA
+PJ045286	LLLLLLK 	C42H80N8O8	824.61	NA	PeJP	NA	NA
+HMDB10471	TG(18:2(9Z,12Z)/14:0/18:3(9Z,12Z,15Z))[iso6]	C53H92O6	824.689392	NA	HMDB2010	NA	NA
+MJ095586	Gymnopilene 	C50H96O8	824.71052	NA	MeJP	NA	NA
+MJ095587	Cericerol II; 2Z,6Z-Isomer, 24-(30-hydroxytriacontanoyl) 	C55H100O4	824.762161	NA	MeJP	NA	NA
+PJ045287	CCCCCEY 	C29H43N7O11S5	825.1624	NA	PeJP	NA	NA
+PJ045288	CCCDDMH 	C28H43N9O12S4	825.1914	NA	PeJP	NA	NA
+PJ045289	CDDDDDE 	C28H39N7O20S	825.1971	NA	PeJP	NA	NA
+PJ045290	TCCCCMY 	C30H47N7O10S5	825.1988	NA	PeJP	NA	NA
+PJ045291	GSCCCCNH 	C27H43N11O11S4	825.2027	NA	PeJP	NA	NA
+PJ045292	GPCCCNDD 	C28H43N9O14S3	825.2092	NA	PeJP	NA	NA
+PJ045293	GCCCDYY 	C33H43N7O12S3	825.2132	NA	PeJP	NA	NA
+PJ045294	CCNDDQE 	C28H43N9O16S2	825.2269	NA	PeJP	NA	NA
+PJ045295	CNNDDDM 	C28H43N9O16S2	825.227	NA	PeJP	NA	NA
+PJ045296	SCCDMMH 	C29H47N9O11S4	825.2278	NA	PeJP	NA	NA
+PJ045297	GCCCMFY 	C34H47N7O9S4	825.2318	NA	PeJP	NA	NA
+PJ045298	SDDDDEM 	C29H43N7O19S	825.2335	NA	PeJP	NA	NA
+PJ045299	PCCDEEM 	C30H47N7O14S3	825.2343	NA	PeJP	NA	NA
+PJ045300	PCDDDMM 	C30H47N7O14S3	825.2344	NA	PeJP	NA	NA
+PJ045301	GSCCNNND 	C27H43N11O15S2	825.2382	NA	PeJP	NA	NA
+PJ045302	GCCNDEW 	C32H43N9O13S2	825.2422	NA	PeJP	NA	NA
+PJ045303	GSSCNDDE 	C28H43N9O18S	825.2447	NA	PeJP	NA	NA
+PJ045304	GSPCCNDM 	C29H47N9O13S3	825.2456	NA	PeJP	NA	NA
+PJ045305	ACCMMMH 	C30H51N9O8S5	825.2464	NA	PeJP	NA	NA
+PJ045306	VCCCMMH 	C30H51N9O8S5	825.2465	NA	PeJP	NA	NA
+PJ045307	SCCCHHH 	C30H43N13O9S3	825.2469	NA	PeJP	NA	NA
+PJ045308	PCDDDDF 	C33H43N7O16S	825.2487	NA	PeJP	NA	NA
+PJ045309	GSCCMYY 	C34H47N7O11S3	825.2496	NA	PeJP	NA	NA
+PJ045310	GDDEEMM 	C30H47N7O16S2	825.2521	NA	PeJP	NA	NA
+PJ045311	PCCDDHH 	C31H43N11O12S2	825.2534	NA	PeJP	NA	NA
+PJ045312	CCNNNQM 	C28H47N11O12S3	825.2568	NA	PeJP	NA	NA
+PJ045313	CCNDWW 	C36H43N9O10S2	825.2575	NA	PeJP	NA	NA
+PJ045314	SSCNDDW 	C32H43N9O15S	825.26	NA	PeJP	NA	NA
+PJ045315	SPCCCQW 	C33H47N9O10S3	825.2608	NA	PeJP	NA	NA
+PJ045316	SSSSNDDD 	C28H43N9O20	825.2625	NA	PeJP	NA	NA
+PJ045317	SNNDDMM 	C29H47N9O15S2	825.2633	NA	PeJP	NA	NA
+PJ045318	GGGGSDDMM 	C29H47N9O15S2	825.2634	NA	PeJP	NA	NA
+PJ045319	SSCMMMH 	C30H51N9O10S4	825.2642	NA	PeJP	NA	NA
+PJ045320	GCCCFFF 	C38H47N7O8S3	825.2649	NA	PeJP	NA	NA
+PJ045321	SPDDDDY 	C33H43N7O18	825.2665	NA	PeJP	NA	NA
+PJ045322	SSTCCYY 	C34H47N7O13S2	825.2673	NA	PeJP	NA	NA
+PJ045323	DDEMMW 	C34H47N7O13S2	825.2674	NA	PeJP	NA	NA
+PJ045324	CCCNNNR 	C27H47N13O11S3	825.268	NA	PeJP	NA	NA
+PJ045325	GGCCCNNR 	C27H47N13O11S3	825.2681	NA	PeJP	NA	NA
+PJ045326	SSDEEEM 	C30H47N7O18S	825.2699	NA	PeJP	NA	NA
+PJ045327	SPDDMMM 	C31H51N7O13S3	825.2707	NA	PeJP	NA	NA
+PJ045328	GDDDMHH 	C31H43N11O14S	825.2712	NA	PeJP	NA	NA
+PJ045329	SCCNDER 	C28H47N11O14S2	825.2746	NA	PeJP	NA	NA
+PJ045330	PCCCNMR 	C29H51N11O9S4	825.2754	NA	PeJP	NA	NA
+PJ045331	GGPCCCMR 	C29H51N11O9S4	825.2755	NA	PeJP	NA	NA
+PJ045332	CCMHFW 	C37H47N9O7S3	825.2761	NA	PeJP	NA	NA
+PJ045333	GNNDDEY 	C32H43N9O17	825.2777	NA	PeJP	NA	NA
+PJ045334	GSCNEMW 	C33H47N9O12S2	825.2786	NA	PeJP	NA	NA
+PJ045335	GSSSNDEM 	C29H47N9O17S	825.2811	NA	PeJP	NA	NA
+PJ045336	DDDEFW 	C37H43N7O15	825.2817	NA	PeJP	NA	NA
+PJ045337	GNNEMMM 	C30H51N9O12S3	825.282	NA	PeJP	NA	NA
+PJ045338	SCNNDHH 	C30H43N13O13S	825.2824	NA	PeJP	NA	NA
+PJ045339	GGGGSCDHH 	C30H43N13O13S	825.2825	NA	PeJP	NA	NA
+PJ045340	CCQFYY 	C38H47N7O10S2	825.2826	NA	PeJP	NA	NA
+MJ095588	Perdeacyleuojaponin; 1-Benzoyl, 2,8,9,14-tetra-Ac 	C41H47NO17	825.284399	NA	MeJP	NA	NA
+MJ095589	Perdeacyleuojaponin; 1-Benzoyl, 6,8,9,14-tetra-Ac 	C41H47NO17	825.284399	NA	MeJP	NA	NA
+MJ095590	Perdeacyleuojaponin; 6-Benzoyl, 1,8,9,14-tetra-Ac 	C41H47NO17	825.284399	NA	MeJP	NA	NA
+MJ095591	Perdeacylwilforine; 1-Benzoyl, 2,8,9,14-tetra-Ac 	C41H47NO17	825.284399	NA	MeJP	NA	NA
+MJ095592	Perdeacylwilforine; 1-Benzoyl, 6,8,9,14-tetra-Ac 	C41H47NO17	825.284399	NA	MeJP	NA	NA
+MJ095593	Perdeacylwilforine; 2-Benzoyl, 1,8,9,14-tetra-Ac 	C41H47NO17	825.284399	NA	MeJP	NA	NA
+PJ045341	GPDDEMY 	C34H47N7O15S	825.2851	NA	PeJP	NA	NA
+PJ045342	PPCCEMF 	C35H51N7O10S3	825.286	NA	PeJP	NA	NA
+PJ045343	CDEHHW 	C35H43N11O11S	825.2865	NA	PeJP	NA	NA
+PJ045344	GTEEEMM 	C31H51N7O15S2	825.2885	NA	PeJP	NA	NA
+PJ045345	SSDDEHH 	C31H43N11O16	825.289	NA	PeJP	NA	NA
+PJ045346	GPEMMMM 	C32H55N7O10S4	825.2894	NA	PeJP	NA	NA
+PJ045347	GSCCDRW 	C32H47N11O11S2	825.2898	NA	PeJP	NA	NA
+PJ045348	GSSSCDDR 	C28H47N11O16S	825.2923	NA	PeJP	NA	NA
+PJ045349	NNDDYW 	C36H43N9O14	825.293	NA	PeJP	NA	NA
+PJ045350	GCNDMMR 	C29H51N11O11S3	825.2932	NA	PeJP	NA	NA
+PJ045351	SCNMWW 	C37H47N9O9S2	825.2938	NA	PeJP	NA	NA
+PJ045352	GGSCMWW 	C37H47N9O9S2	825.2939	NA	PeJP	NA	NA
+PJ045353	SSSNDMW 	C33H47N9O14S	825.2963	NA	PeJP	NA	NA
+PJ045354	GGSSSDMW 	C33H47N9O14S	825.2964	NA	PeJP	NA	NA
+PJ045355	NNMMMW 	C34H51N9O9S3	825.2972	NA	PeJP	NA	NA
+PJ045356	SSSSSNEE 	C29H47N9O19	825.2988	NA	PeJP	NA	NA
+PJ045357	GGSSSSTDE 	C29H47N9O19	825.2989	NA	PeJP	NA	NA
+PJ045358	SSNQEMM 	C30H51N9O14S2	825.2997	NA	PeJP	NA	NA
+PJ045359	PDDMYW 	C38H47N7O12S	825.3004	NA	PeJP	NA	NA
+PJ045360	PCCNKMM 	C31H55N9O9S4	825.3006	NA	PeJP	NA	NA
+PJ045361	GCNQMHH 	C31H47N13O10S2	825.3011	NA	PeJP	NA	NA
+PJ045362	QEEEEY 	C34H47N7O17	825.3029	NA	PeJP	NA	NA
+PJ045363	TEEMMW 	C35H51N7O12S2	825.3037	NA	PeJP	NA	NA
+PJ045364	GPDEMMF 	C35H51N7O12S2	825.3038	NA	PeJP	NA	NA
+PJ045365	GCCCERR 	C28H51N13O10S3	825.3044	NA	PeJP	NA	NA
+PJ045366	PMMMMW 	C36H55N7O7S4	825.3046	NA	PeJP	NA	NA
+PJ045367	STTEEEM 	C31H51N7O17S	825.3062	NA	PeJP	NA	NA
+PJ045368	GVEEMMM 	C32H55N7O12S3	825.3071	NA	PeJP	NA	NA
+PJ045369	GNNNNMY 	C32H47N11O13S	825.3076	NA	PeJP	NA	NA
+PJ045370	CCQMRW 	C33H51N11O8S3	825.3085	NA	PeJP	NA	NA
+PJ045371	GSSSSSSNN 	C28H47N11O18	825.3101	NA	PeJP	NA	NA
+PJ045372	SSCNEMR 	C29H51N11O13S2	825.3109	NA	PeJP	NA	NA
+PJ045373	GGSSCEMR 	C29H51N11O13S2	825.311	NA	PeJP	NA	NA
+MJ095594	Oligostatin C 	C31H55NO24	825.311401	NA	MeJP	NA	NA
+PJ045374	GSSTCWW 	C37H47N9O11S	825.3116	NA	PeJP	NA	NA
+PJ045375	GCCNHHR 	C30H47N15O9S2	825.3123	NA	PeJP	NA	NA
+PJ045376	GSSSSSEW 	C33H47N9O16	825.3141	NA	PeJP	NA	NA
+PJ045377	GSSQMMW 	C34H51N9O11S2	825.315	NA	PeJP	NA	NA
+PJ045378	GSSSTQEM 	C30H51N9O16S	825.3175	NA	PeJP	NA	NA
+PJ045379	AEEEYW 	C38H47N7O14	825.3181	NA	PeJP	NA	NA
+PJ045380	GTQQMMM 	C31H55N9O11S3	825.3183	NA	PeJP	NA	NA
+PJ045381	EEMMMR 	C31H55N9O11S3	825.3184	NA	PeJP	NA	NA
+PJ045382	SSNNMHH 	C31H47N13O12S	825.3188	NA	PeJP	NA	NA
+PJ045383	GGGGGGGAPCH 	C31H47N13O12S	825.3189	NA	PeJP	NA	NA
+PJ045384	PDMMFW 	C39H51N7O9S2	825.319	NA	PeJP	NA	NA
+PJ045385	CCCRRW 	C32H51N13O7S3	825.3197	NA	PeJP	NA	NA
+MJ095595	Aclacinomycin B; 9-Hydroxy 	C42H51NO16	825.320784	NA	MeJP	NA	NA
+MJ095596	Aclacinomycin Y; 10-Hydroxy 	C42H51NO16	825.320784	NA	MeJP	NA	NA
+MJ095597	Cinerubin B 	C42H51NO16	825.320784	NA	MeJP	NA	NA
+MJ095598	Epelmycin B 	C42H51NO16	825.320784	NA	MeJP	NA	NA
+PJ045386	GPTEEMY 	C35H51N7O14S	825.3215	NA	PeJP	NA	NA
+PJ045387	SSCCDRR 	C28H51N13O12S2	825.3222	NA	PeJP	NA	NA
+PJ045388	VEMMMW 	C36H55N7O9S3	825.3224	NA	PeJP	NA	NA
+PJ045389	SEMHHW 	C36H47N11O10S	825.3228	NA	PeJP	NA	NA
+PJ045390	GPCEHHF 	C36H47N11O10S	825.3229	NA	PeJP	NA	NA
+PJ045391	SSLEEMM 	C32H55N7O14S2	825.3249	NA	PeJP	NA	NA
+PJ045392	GSNDDRY 	C32H47N11O15	825.3253	NA	PeJP	NA	NA
+PJ045393	GGGSDDRY 	C32H47N11O15	825.3254	NA	PeJP	NA	NA
+PJ045394	SPVMMMM 	C33H59N7O9S4	825.3257	NA	PeJP	NA	NA
+PJ045395	GSSCMRW 	C33H51N11O10S2	825.3262	NA	PeJP	NA	NA
+PJ045396	GSDHHHH 	C33H43N15O11	825.3267	NA	PeJP	NA	NA
+PJ045397	GCQFWW 	C41H47N9O8S	825.3269	NA	PeJP	NA	NA
+PJ045398	GSSSSDMR 	C29H51N11O15S	825.3287	NA	PeJP	NA	NA
+PJ045399	SSSSSWW 	C37H47N9O13	825.3294	NA	PeJP	NA	NA
+PJ045400	GSNMMMR 	C30H55N11O10S3	825.3296	NA	PeJP	NA	NA
+PJ045401	TCCKWW 	C38H51N9O8S2	825.3302	NA	PeJP	NA	NA
+PJ045402	SSSTQMW 	C34H51N9O13S	825.3327	NA	PeJP	NA	NA
+PJ045403	GGGGGVEMY 	C34H51N9O13S	825.3328	NA	PeJP	NA	NA
+PJ045404	PDDFFW 	C42H47N7O11	825.3334	NA	PeJP	NA	NA
+PJ045405	CQKMMW 	C35H55N9O8S3	825.3336	NA	PeJP	NA	NA
+PJ045406	SSSSSDKE 	C30H51N9O18	825.3352	NA	PeJP	NA	NA
+PJ045407	SSNKEMM 	C31H55N9O13S2	825.3361	NA	PeJP	NA	NA
+PJ045408	GSSSSQHH 	C31H47N13O14	825.3366	NA	PeJP	NA	NA
+PJ045409	SCKYYY 	C39H51N7O11S	825.3367	NA	PeJP	NA	NA
+PJ045410	PTEMYW 	C39H51N7O11S	825.3368	NA	PeJP	NA	NA
+PJ045411	PPCCNHR 	C32H51N13O9S2	825.3374	NA	PeJP	NA	NA
+PJ045412	DMMHHR 	C32H51N13O9S2	825.3375	NA	PeJP	NA	NA
+PJ045413	PCHHFW 	C40H47N11O7S	825.3381	NA	PeJP	NA	NA
+PJ045414	SPTTEEY 	C35H51N7O16	825.3392	NA	PeJP	NA	NA
+PJ045415	KEEEEY 	C35H51N7O16	825.3393	NA	PeJP	NA	NA
+PJ045416	GPVEMMY 	C36H55N7O11S2	825.3401	NA	PeJP	NA	NA
+PJ045417	GSPNEHW 	C36H47N11O12	825.3406	NA	PeJP	NA	NA
+PJ045418	GTCCMRR 	C29H55N13O9S3	825.3408	NA	PeJP	NA	NA
+PJ045419	CLMHHW 	C37H51N11O7S2	825.3415	NA	PeJP	NA	NA
+PJ045420	ATLEMMM 	C33H59N7O11S3	825.3435	NA	PeJP	NA	NA
+PJ045421	SSSTCRW 	C33H51N11O12S	825.344	NA	PeJP	NA	NA
+PJ045422	GSQYWW 	C41H47N9O10	825.3446	NA	PeJP	NA	NA
+PJ045423	CCKMRW 	C34H55N11O7S3	825.3448	NA	PeJP	NA	NA
+PJ045424	QMHHHH 	C34H47N15O8S	825.3453	NA	PeJP	NA	NA
+PJ045425	SSSSSSER 	C29H51N11O17	825.3465	NA	PeJP	NA	NA
+PJ045426	SSSQMMR 	C30H55N11O12S2	825.3473	NA	PeJP	NA	NA
+PJ045427	GGGSSCCKK 	C30H55N11O12S2	825.3474	NA	PeJP	NA	NA
+PJ045428	GNNNDHR 	C30H47N15O13	825.3478	NA	PeJP	NA	NA
+PJ045429	AQQMYW 	C38H51N9O10S	825.348	NA	PeJP	NA	NA
+PJ045430	GSSSTTTW 	C34H51N9O15	825.3505	NA	PeJP	NA	NA
+PJ045431	GSSKMMW 	C35H55N9O10S2	825.3514	NA	PeJP	NA	NA
+PJ045432	NNQQHW 	C35H47N13O11	825.3518	NA	PeJP	NA	NA
+PJ045433	GGGGGAQHW 	C35H47N13O11	825.3519	NA	PeJP	NA	NA
+PJ045434	GSSSTKEM 	C31H55N9O15S	825.3539	NA	PeJP	NA	NA
+PJ045435	SLEEYW 	C39H51N7O13	825.3545	NA	PeJP	NA	NA
+PJ045436	GTQKMMM 	C32H59N9O10S3	825.3547	NA	PeJP	NA	NA
+PJ045437	CNDRRY 	C32H51N13O11S	825.3552	NA	PeJP	NA	NA
+PJ045438	PVMMYW 	C40H55N7O8S2	825.3554	NA	PeJP	NA	NA
+PJ045439	SPNHWW 	C40H47N11O9	825.3559	NA	PeJP	NA	NA
+PJ045440	CHHHHR 	C33H47N17O7S	825.3566	NA	PeJP	NA	NA
+MJ095599	Aclacinomycin A; 13-Methyl 	C43H55NO15	825.35717	NA	MeJP	NA	NA
+MJ095600	Sulfurmycin F; 3'-Deoxy 	C43H55NO15	825.35717	NA	MeJP	NA	NA
+PJ045441	AALEEMY 	C36H55N7O13S	825.3579	NA	PeJP	NA	NA
+PJ045442	SSSCMRR 	C29H55N13O11S2	825.3586	NA	PeJP	NA	NA
+PJ045443	GPLMMMF 	C37H59N7O8S3	825.3588	NA	PeJP	NA	NA
+PJ045444	GNMRYW 	C37H51N11O9S	825.3592	NA	PeJP	NA	NA
+PJ045445	TTTLEMM 	C33H59N7O13S2	825.3612	NA	PeJP	NA	NA
+PJ045446	GSSQERY 	C33H51N11O14	825.3617	NA	PeJP	NA	NA
+PJ045447	GGGGALEEH 	C33H51N11O14	825.3618	NA	PeJP	NA	NA
+PJ045448	GLLMMMM 	C34H63N7O8S4	825.3621	NA	PeJP	NA	NA
+PJ045449	GPCCKRY 	C34H55N11O9S2	825.3626	NA	PeJP	NA	NA
+PJ045450	GTTHHHH 	C34H47N15O10	825.3631	NA	PeJP	NA	NA
+PJ045451	GCKFWW 	C42H51N9O7S	825.3633	NA	PeJP	NA	NA
+PJ045452	GSSSTTMR 	C30H55N11O14S	825.3651	NA	PeJP	NA	NA
+PJ045453	SNKEYW 	C38H51N9O12	825.3657	NA	PeJP	NA	NA
+PJ045454	GGGSSLYW 	C38H51N9O12	825.3658	NA	PeJP	NA	NA
+PJ045455	GTCKMMR 	C31H59N11O9S3	825.366	NA	PeJP	NA	NA
+PJ045456	SSSTKMW 	C35H55N9O12S	825.3691	NA	PeJP	NA	NA
+PJ045457	PPTYYW 	C43H51N7O10	825.3698	NA	PeJP	NA	NA
+PJ045458	CKKMMW 	C36H59N9O7S3	825.37	NA	PeJP	NA	NA
+PJ045459	PCQHRW 	C36H51N13O8S	825.3705	NA	PeJP	NA	NA
+PJ045460	SSSSTTKE 	C31H55N9O17	825.3716	NA	PeJP	NA	NA
+PJ045461	SSDKKMM 	C32H59N9O12S2	825.3725	NA	PeJP	NA	NA
+PJ045462	GTQQQQH 	C32H51N13O13	825.3729	NA	PeJP	NA	NA
+PJ045463	QQEEHR 	C32H51N13O13	825.373	NA	PeJP	NA	NA
+PJ045464	VVEMYW 	C40H55N7O10S	825.3731	NA	PeJP	NA	NA
+PJ045465	GPVEMFF 	C40H55N7O10S	825.3732	NA	PeJP	NA	NA
+PJ045466	CNMFRR 	C33H55N13O8S2	825.3738	NA	PeJP	NA	NA
+PJ045467	ATTLEEY 	C36H55N7O15	825.3756	NA	PeJP	NA	NA
+PJ045468	APTLMMY 	C37H59N7O10S2	825.3765	NA	PeJP	NA	NA
+PJ045469	SSQRYW 	C37H51N11O11	825.377	NA	PeJP	NA	NA
+PJ045470	STLLMMM 	C34H63N7O10S3	825.3799	NA	PeJP	NA	NA
+PJ045471	NDKMRY 	C34H55N11O11S	825.3803	NA	PeJP	NA	NA
+PJ045472	GGDKMRY 	C34H55N11O11S	825.3804	NA	PeJP	NA	NA
+PJ045473	GSKYWW 	C42H51N9O9	825.381	NA	PeJP	NA	NA
+PJ045474	KMHHHH 	C35H51N15O7S	825.3817	NA	PeJP	NA	NA
+PJ045475	SSSSTTTR 	C30H55N11O16	825.3828	NA	PeJP	NA	NA
+PJ045476	SSSKMMR 	C31H59N11O11S2	825.3837	NA	PeJP	NA	NA
+PJ045477	NDEHRR 	C31H51N15O12	825.3842	NA	PeJP	NA	NA
+PJ045478	AQKMYW 	C39H55N9O9S	825.3844	NA	PeJP	NA	NA
+PJ045479	GSDKKEY 	C35H55N9O14	825.3869	NA	PeJP	NA	NA
+PJ045480	VVCCQKF 	C36H59N9O9S2	825.3877	NA	PeJP	NA	NA
+PJ045481	GPCKKMY 	C36H59N9O9S2	825.3878	NA	PeJP	NA	NA
+PJ045482	AQEHRW 	C36H51N13O10	825.3882	NA	PeJP	NA	NA
+PJ045483	PVMFFW 	C44H55N7O7S	825.3884	NA	PeJP	NA	NA
+PJ045484	SSSSSLKM 	C32H59N9O14S	825.3902	NA	PeJP	NA	NA
+PJ045485	AAPLEYY 	C40H55N7O12	825.3909	NA	PeJP	NA	NA
+PJ045486	GTKKMMM 	C33H63N9O9S3	825.3911	NA	PeJP	NA	NA
+PJ045487	SNMRRY 	C33H55N13O10S	825.3916	NA	PeJP	NA	NA
+PJ045488	VLMMFW 	C41H59N7O7S2	825.3918	NA	PeJP	NA	NA
+PJ045489	GLQHWW 	C41H51N11O8	825.3922	NA	PeJP	NA	NA
+PJ045490	GGALHWW 	C41H51N11O8	825.3923	NA	PeJP	NA	NA
+PJ045491	GTLLEMY 	C37H59N7O12S	825.3943	NA	PeJP	NA	NA
+PJ045492	ACKRYW 	C38H55N11O8S	825.3956	NA	PeJP	NA	NA
+PJ045493	GSSKERY 	C34H55N11O13	825.3981	NA	PeJP	NA	NA
+PJ045494	NKMMFR 	C35H59N11O8S2	825.399	NA	PeJP	NA	NA
+PJ045495	GDHRRW 	C35H51N15O9	825.3995	NA	PeJP	NA	NA
+MJ095601	Liposidomycin; Liposidomycin A-I, 3-O-Deacyl, desulfo 	C38H59N5O15	825.400766	NA	MeJP	NA	NA
+PJ045496	SDKKYW 	C39H55N9O11	825.4021	NA	PeJP	NA	NA
+PJ045497	GAAPPLDW 	C39H55N9O11	825.4022	NA	PeJP	NA	NA
+PJ045498	GPTCHRR 	C32H55N15O9S	825.4028	NA	PeJP	NA	NA
+PJ045499	AAHRWW 	C40H51N13O7	825.4035	NA	PeJP	NA	NA
+PJ045500	QKKEMY 	C36H59N9O11S	825.4055	NA	PeJP	NA	NA
+PJ045501	PVVYYW 	C44H55N7O9	825.4062	NA	PeJP	NA	NA
+PJ045502	PCKHRW 	C37H55N13O7S	825.4069	NA	PeJP	NA	NA
+PJ045503	SSTTTTTK 	C32H59N9O16	825.408	NA	PeJP	NA	NA
+PJ045504	STTKKMM 	C33H63N9O11S2	825.4089	NA	PeJP	NA	NA
+PJ045505	GSSTRRY 	C33H55N13O12	825.4093	NA	PeJP	NA	NA
+PJ045506	GPPDERR 	C33H55N13O12	825.4094	NA	PeJP	NA	NA
+PJ045507	TLLMYW 	C41H59N7O9S	825.4095	NA	PeJP	NA	NA
+PJ045508	STTLLEY 	C37H59N7O14	825.412	NA	PeJP	NA	NA
+PJ045509	GVLLMMY 	C38H63N7O9S2	825.4129	NA	PeJP	NA	NA
+PJ045510	SSKRYW 	C38H55N11O10	825.4134	NA	PeJP	NA	NA
+PJ045511	TQKMRY 	C35H59N11O10S	825.4167	NA	PeJP	NA	NA
+PJ045512	GAPPPTMR 	C35H59N11O10S	825.4168	NA	PeJP	NA	NA
+PJ045513	PPLQWW 	C43H55N9O8	825.4174	NA	PeJP	NA	NA
+PJ045514	TQEHRR 	C32H55N15O11	825.4206	NA	PeJP	NA	NA
+PJ045515	AKKMYW 	C40H59N9O8S	825.4208	NA	PeJP	NA	NA
+PJ045516	SSTLQKY 	C36H59N9O13	825.4232	NA	PeJP	NA	NA
+PJ045517	GTTKKEY 	C36H59N9O13	825.4233	NA	PeJP	NA	NA
+PJ045518	LLMMRY 	C37H63N9O8S2	825.4241	NA	PeJP	NA	NA
+PJ045519	PPDRRW 	C37H55N13O9	825.4246	NA	PeJP	NA	NA
+PJ045520	GPTLLYY 	C41H59N7O11	825.4273	NA	PeJP	NA	NA
+PJ045521	TCKRRY 	C34H59N13O9S	825.428	NA	PeJP	NA	NA
+PJ045522	GLKHWW 	C42H55N11O7	825.4286	NA	PeJP	NA	NA
+PJ045523	SSLLLMY 	C38H63N7O11S	825.4306	NA	PeJP	NA	NA
+PJ045524	VVTTLMY 	C38H63N7O11S	825.4307	NA	PeJP	NA	NA
+PJ045525	SDHRRR 	C31H55N17O10	825.4318	NA	PeJP	NA	NA
+PJ045526	PKKMHW 	C39H59N11O7S	825.432	NA	PeJP	NA	NA
+PJ045527	GTTTKRY 	C35H59N11O12	825.4345	NA	PeJP	NA	NA
+PJ045528	ATHRRW 	C36H55N15O8	825.4358	NA	PeJP	NA	NA
+PJ045529	GGPHFRR 	C36H55N15O8	825.4359	NA	PeJP	NA	NA
+PJ045530	TTKKYW 	C40H59N9O10	825.4385	NA	PeJP	NA	NA
+PJ045531	VQMHRR 	C33H59N15O8S	825.4392	NA	PeJP	NA	NA
+PJ045532	KKKEMY 	C37H63N9O10S	825.4419	NA	PeJP	NA	NA
+PJ045533	VVLFYW 	C45H59N7O8	825.4425	NA	PeJP	NA	NA
+PJ045534	GPVLFFF 	C45H59N7O8	825.4426	NA	PeJP	NA	NA
+PJ045535	APPTERR 	C34H59N13O11	825.4457	NA	PeJP	NA	NA
+PJ045536	GGGGPPTKR 	C34H59N13O11	825.4458	NA	PeJP	NA	NA
+PJ045537	GVLLMFF 	C42H63N7O8S	825.4459	NA	PeJP	NA	NA
+PJ045538	GPPTLRW 	C39H59N11O9	825.4498	NA	PeJP	NA	NA
+PJ045539	AMHRRR 	C32H59N17O7S	825.4505	NA	PeJP	NA	NA
+MJ095602	Carbomycin B 	C42H67NO15	825.45107	NA	MeJP	NA	NA
+MJ095603	Midecamycin A4 	C42H67NO15	825.45107	NA	MeJP	NA	NA
+PJ045540	TKKMRY 	C36H63N11O9S	825.4531	NA	PeJP	NA	NA
+PJ045541	PPLKWW 	C44H59N9O7	825.4538	NA	PeJP	NA	NA
+PJ045542	TKEHRR 	C33H59N15O10	825.457	NA	PeJP	NA	NA
+PJ045543	LLMFFR 	C41H63N9O7S	825.4572	NA	PeJP	NA	NA
+PJ045544	SSTLKKY 	C37H63N9O12	825.4596	NA	PeJP	NA	NA
+PJ045545	PPVKKEE 	C37H63N9O12	825.4597	NA	PeJP	NA	NA
+PJ045546	SLKHRW 	C38H59N13O8	825.461	NA	PeJP	NA	NA
+PJ045547	AALLLYY 	C42H63N7O10	825.4637	NA	PeJP	NA	NA
+PJ045548	GPPLMRR 	C35H63N13O8S	825.4644	NA	PeJP	NA	NA
+PJ045549	TTHRRR 	C32H59N17O9	825.4682	NA	PeJP	NA	NA
+PJ045550	SPPLKER 	C36H63N11O11	825.4709	NA	PeJP	NA	NA
+PJ045551	SPPVLKW 	C41H63N9O9	825.4749	NA	PeJP	NA	NA
+PJ045552	VKMHRR 	C34H63N15O7S	825.4756	NA	PeJP	NA	NA
+PJ045553	SLLLLMH 	C38H67N9O9S	825.4783	NA	PeJP	NA	NA
+PJ045554	GPVLERR 	C35H63N13O10	825.4821	NA	PeJP	NA	NA
+PJ045555	PLLLLEE 	C39H67N7O12	825.4848	NA	PeJP	NA	NA
+PJ045556	AAPLLRW 	C40H63N11O8	825.4861	NA	PeJP	NA	NA
+PJ045557	PPVVKMR 	C37H67N11O8S	825.4895	NA	PeJP	NA	NA
+PJ045558	PLERRR 	C34H63N15O9	825.4934	NA	PeJP	NA	NA
+PJ045559	PVLLQKE 	C38H67N9O11	825.496	NA	PeJP	NA	NA
+MJ095604	Piperastatin A 	C38H67N9O11	825.496004	NA	MeJP	NA	NA
+PJ045560	GGPLLLKE 	C38H67N9O11	825.4961	NA	PeJP	NA	NA
+PJ045561	PVLRRW 	C39H63N13O7	825.4974	NA	PeJP	NA	NA
+PJ045562	PNKRRR 	C33H63N17O8	825.5046	NA	PeJP	NA	NA
+PJ045563	APLLKER 	C37H67N11O10	825.5073	NA	PeJP	NA	NA
+3110	adrenocorticotropin hormone fr,:11-24	KPVGKKRRPVKVYP	825.511	MH2+	Inhouse_peptide	NA	peptide
+PJ045564	GPLLLKW 	C42H67N9O8	825.5113	NA	PeJP	NA	NA
+PJ045565	PPLLKKM 	C39H71N9O8S	825.5147	NA	PeJP	NA	NA
+PJ045566	APTLLRR 	C36H67N13O9	825.5185	NA	PeJP	NA	NA
+EUR1010	PC 38:7 [M+Na]+	C46H78NO8P	825.528453	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1010	PC 38:7 [M+Na]+	C46H78NO8P	825.528453	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1010	PC 38:7 [M+Na]+	C46H78NO8P	825.528453	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1010	PC 38:7 [M+Na]+	C46H78NO8P	825.528453	masses lipides attendues	Inhousejuil11	NA	NA
+PJ045567	AAPKKRR 	C35H67N15O8	825.5297	NA	PeJP	NA	NA
+HMDB08255	PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H76NO8P	825.530884	NA	HMDB2010	NA	NA
+HMDB08511	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H76NO8P	825.530884	NA	HMDB2010	NA	NA
+HMDB08733	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	C48H76NO8P	825.530884	NA	HMDB2010	NA	NA
+PJ045568	PVLLKKE 	C39H71N9O10	825.5324	NA	PeJP	NA	NA
+PJ045569	SPLLLKR 	C38H71N11O9	825.5437	NA	PeJP	NA	NA
+EUR687	PC(36:5) [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR982	PC 36:5 [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR687	PC(36:5) [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR982	PC 36:5 [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR687	PC(36:5) [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR982	PC 36:5 [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR687	PC(36:5) [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	Inhousejuil11	NA	NA
+EUR982	PC 36:5 [M+FA-H]-	C44H78NO8P	825.551387	masses lipides attendues	Inhousejuil11	NA	NA
+PJ045570	GVLLLRR 	C37H71N13O8	825.5549	NA	PeJP	NA	NA
+PJ045571	LLLLLLE 	C41H75N7O10	825.5576	NA	PeJP	NA	NA
+PJ045572	LLLRRR 	C36H71N15O7	825.5661	NA	PeJP	NA	NA
+PJ045573	VLLLLQK 	C40H75N9O9	825.5688	NA	PeJP	NA	NA
+PJ045574	ALLLLKR 	C39H75N11O8	825.58	NA	PeJP	NA	NA
+PJ045575	VLLLLKK 	C41H79N9O8	825.6052	NA	PeJP	NA	NA
+HMDB09113	PE(18:2(9Z,12Z)/24:1(15Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09145	PE(18:3(6Z,9Z,12Z)/24:0)	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09178	PE(18:3(9Z,12Z,15Z)/24:0)	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09272	PE(20:1(11Z)/22:2(13Z,16Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09304	PE(20:2(11Z,14Z)/22:1(13Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09336	PE(20:3(5Z,8Z,11Z)/22:0)	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09369	PE(20:3(8Z,11Z,14Z)/22:0)	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09496	PE(22:0/20:3(5Z,8Z,11Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09497	PE(22:0/20:3(8Z,11Z,14Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09528	PE(22:1(13Z)/20:2(11Z,14Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09560	PE(22:2(13Z,16Z)/20:1(11Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09721	PE(24:0/18:3(6Z,9Z,12Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09722	PE(24:0/18:3(9Z,12Z,15Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB09753	PE(24:1(15Z)/18:2(9Z,12Z))	C47H88NO8P	825.624756	NA	HMDB2010	NA	NA
+HMDB08588	PC(22:1(13Z)/P-18:1(11Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB08589	PC(22:1(13Z)/P-18:1(9Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB08620	PC(22:2(13Z,16Z)/P-18:0)	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB11258	PC(P-18:0/22:2(13Z,16Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB11290	PC(P-18:1(11Z)/22:1(13Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB11323	PC(P-18:1(9Z)/22:1(13Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB13445	PC(o-22:0/18:3(6Z,9Z,12Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+HMDB13446	PC(o-22:0/18:3(9Z,12Z,15Z))	C48H92NO7P	825.661133	NA	HMDB2010	NA	NA
+MJ095605	2-Amino-4,8-octadecadiene-1,3-diol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside 	C48H91NO9	825.669383	NA	MeJP	NA	NA
+MJ095606	2-Amino-4-octadecene-1,3-diol, N-(2-Hydroxy-15Z-tetracosenoyl), 1-O-?-D-galactopyranoside 	C48H91NO9	825.669383	NA	MeJP	NA	NA
+MJ095607	Acanthacerebroside F 	C48H91NO9	825.669383	NA	MeJP	NA	NA
+HMDB04979	Glucosylceramide (d18:1/25:0)	C49H95NO8	825.70575	http://www.hmdb.ca/metabolites/HMDB04979	HMDB	NA	NA
+HMDB04979	Glucosylceramide (d18:1/25:0)	C49H95NO8	825.70575	HMDB04979	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04979	Glucosylceramide (d18:1/25:0)	C49H95NO8	825.70575	NA	HMDB2010	NA	NA
+7451	coeliac toxic peptide	QSGQYQQQPQMQTT	825.8542	MH2+	Inhouse_peptide	NA	peptide
+3024	kinases inhibitor	KKKLRRQEAFDAY	825.94995	MH2+	Inhouse_peptide	NA	peptide
+PJ045576	SCCCCCCC 	C24H42N8O10S7	826.1069	NA	PeJP	NA	NA
+MJ095608	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3,7-Bis-O-(6-O-malonyl-?-D-glucopyranoside) 	C35H39O23(+)	826.180387	NA	MeJP	NA	NA
+PJ045577	GSCCCCDH 	C27H42N10O12S4	826.1867	NA	PeJP	NA	NA
+PJ045578	GPCCCDDD 	C28H42N8O15S3	826.1932	NA	PeJP	NA	NA
+MJ095609	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4-O-malonyl-?-D-glucopyranoside) 	C39H39O20(+)	826.195643	NA	MeJP	NA	NA
+MJ095610	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C39H39O20(+)	826.195643	NA	MeJP	NA	NA
+MJ095611	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C39H39O20(+)	826.195643	NA	MeJP	NA	NA
+PJ045579	CCCCQMH 	C28H46N10O9S5	826.2053	NA	PeJP	NA	NA
+PJ045580	CNDDDDM 	C28H42N8O17S2	826.211	NA	PeJP	NA	NA
+PJ045581	SPPCCCCD 	C29H46N8O12S4	826.2118	NA	PeJP	NA	NA
+PJ045582	CCCCCHR 	C27H46N12O8S5	826.2166	NA	PeJP	NA	NA
+PJ045583	GSCCNNDD 	C27H42N10O16S2	826.2222	NA	PeJP	NA	NA
+PJ045584	GSSCCCMH 	C28H46N10O11S4	826.2231	NA	PeJP	NA	NA
+PJ045585	GCCDDEW 	C32H42N8O14S2	826.2262	NA	PeJP	NA	NA
+PJ045586	GSSCDDDE 	C28H42N8O19S	826.2287	NA	PeJP	NA	NA
+PJ045587	GSPCCDDM 	C29H46N8O14S3	826.2296	NA	PeJP	NA	NA
+PJ045588	APPCCCCM 	C30H50N8O9S5	826.2305	NA	PeJP	NA	NA
+PJ045589	SSSTCCCH 	C28H46N10O13S3	826.2408	NA	PeJP	NA	NA
+PJ045590	GGGGGGCCEM 	C28H46N10O13S3	826.2409	NA	PeJP	NA	NA
+PJ045591	CCDDWW 	C36H42N8O11S2	826.2415	NA	PeJP	NA	NA
+PJ045592	CCCCKMH 	C29H50N10O8S5	826.2417	NA	PeJP	NA	NA
+MJ095612	Benanomicin B 	C39H42N2O18	826.243262	NA	MeJP	NA	NA
+MJ095613	Pradimicin D 	C39H42N2O18	826.243262	NA	MeJP	NA	NA
+C06786	Pradimicin C	C39H42N2O18	826.2433	NA	KEGG	NA	NA
+PJ045593	SSCDDDW 	C32H42N8O16S	826.244	NA	PeJP	NA	NA
+PJ045594	SPCCCEW 	C33H46N8O11S3	826.2448	NA	PeJP	NA	NA
+PJ045595	SSSSDDDD 	C28H42N8O21	826.2465	NA	PeJP	NA	NA
+PJ045596	SNDDDMM 	C29H46N8O16S2	826.2473	NA	PeJP	NA	NA
+PJ045597	GGSDDDMM 	C29H46N8O16S2	826.2474	NA	PeJP	NA	NA
+PJ045598	PCCNEMM 	C30H50N8O11S4	826.2482	NA	PeJP	NA	NA
+PJ045599	CCCNNDR 	C27H46N12O12S3	826.2521	NA	PeJP	NA	NA
+PJ045600	GCCNNMW 	C32H46N10O10S3	826.2561	NA	PeJP	NA	NA
+PJ045601	SCCDDER 	C28H46N10O15S2	826.2586	NA	PeJP	NA	NA
+PJ045602	PCCCDMR 	C29H50N10O10S4	826.2595	NA	PeJP	NA	NA
+PJ045603	GNDDDEY 	C32H42N8O18	826.2617	NA	PeJP	NA	NA
+PJ045604	GGGDDDEY 	C32H42N8O18	826.2618	NA	PeJP	NA	NA
+PJ045605	GSCDEMW 	C33H46N8O13S2	826.2626	NA	PeJP	NA	NA
+PJ045606	GPCCMMW 	C34H50N8O8S4	826.2635	NA	PeJP	NA	NA
+PJ045607	GSSSDDEM 	C29H46N8O18S	826.2651	NA	PeJP	NA	NA
+PJ045608	GNDEMMM 	C30H50N8O13S3	826.266	NA	PeJP	NA	NA
+PJ045609	SCNDDHH 	C30H42N12O14S	826.2664	NA	PeJP	NA	NA
+PJ045610	GGSCDDHH 	C30H42N12O14S	826.2665	NA	PeJP	NA	NA
+PJ045611	CCEFYY 	C38H46N6O11S2	826.2666	NA	PeJP	NA	NA
+PJ045612	PCCCQHH 	C31H46N12O9S3	826.2673	NA	PeJP	NA	NA
+PJ045613	PNDDDDH 	C31H42N10O17	826.273	NA	PeJP	NA	NA
+PJ045614	SSCCNQW 	C32H46N10O12S2	826.2738	NA	PeJP	NA	NA
+PJ045615	GGGGSTCCW 	C32H46N10O12S2	826.2739	NA	PeJP	NA	NA
+PJ045616	SSSSCNNE 	C28H46N10O17S	826.2763	NA	PeJP	NA	NA
+PJ045617	GGGGSSSSCE 	C28H46N10O17S	826.2764	NA	PeJP	NA	NA
+PJ045618	NDDDYW 	C36H42N8O15	826.277	NA	PeJP	NA	NA
+PJ045619	GCDDMMR 	C29H50N10O12S3	826.2772	NA	PeJP	NA	NA
+PJ045620	SCDMWW 	C37H46N8O10S2	826.2779	NA	PeJP	NA	NA
+MJ095614	Perdeacyleuojaponin; 1-(3-Pyridinecarbonyl), 6,8,9,14-tetra-Ac 	C40H46N2O17	826.279648	NA	MeJP	NA	NA
+PJ045621	SSSDDMW 	C33H46N8O15S	826.2804	NA	PeJP	NA	NA
+PJ045622	NDMMMW 	C34H50N8O10S3	826.2812	NA	PeJP	NA	NA
+PJ045623	SSSSSDEE 	C29H46N8O20	826.2829	NA	PeJP	NA	NA
+PJ045624	SSNEEMM 	C30H50N8O15S2	826.2837	NA	PeJP	NA	NA
+PJ045625	SCEYYY 	C38H46N6O13S	826.2844	NA	PeJP	NA	NA
+PJ045626	SPCQMMM 	C31H54N8O10S4	826.2846	NA	PeJP	NA	NA
+PJ045627	GCNEMHH 	C31H46N12O11S2	826.2851	NA	PeJP	NA	NA
+PJ045628	EEEEEY 	C34H46N6O18	826.2869	NA	PeJP	NA	NA
+PJ045629	SCCNNMR 	C28H50N12O11S3	826.2884	NA	PeJP	NA	NA
+PJ045630	GGSCCNMR 	C28H50N12O11S3	826.2885	NA	PeJP	NA	NA
+PJ045631	GCCNHFF 	C36H46N10O9S2	826.2891	NA	PeJP	NA	NA
+PJ045632	GSSSSCNW 	C32H46N10O14S	826.2916	NA	PeJP	NA	NA
+PJ045633	CCEMRW 	C33H50N10O9S3	826.2925	NA	PeJP	NA	NA
+PJ045634	GSSSSSSND 	C28H46N10O19	826.2941	NA	PeJP	NA	NA
+PJ045635	SSCDEMR 	C29H50N10O14S2	826.295	NA	PeJP	NA	NA
+PJ045636	GSPCDYW 	C37H46N8O12S	826.2956	NA	PeJP	NA	NA
+PJ045637	SPCCMMR 	C30H54N10O9S4	826.2958	NA	PeJP	NA	NA
+PJ045638	GCCDHHR 	C30H46N14O10S2	826.2963	NA	PeJP	NA	NA
+PJ045639	ACMMWW 	C38H50N8O7S3	826.2965	NA	PeJP	NA	NA
+PJ045640	GSNEEEY 	C33H46N8O17	826.2981	NA	PeJP	NA	NA
+PJ045641	GSSEMMW 	C34H50N8O12S2	826.299	NA	PeJP	NA	NA
+PJ045642	MMMMHF 	C35H54N8O7S4	826.2999	NA	PeJP	NA	NA
+PJ045643	CNMHHW 	C35H46N12O8S2	826.3003	NA	PeJP	NA	NA
+PJ045644	GSSSTEEM 	C30H50N8O17S	826.3015	NA	PeJP	NA	NA
+PJ045645	GTQEMMM 	C31H54N8O12S3	826.3024	NA	PeJP	NA	NA
+PJ045646	SSNDMHH 	C31H46N12O13S	826.3028	NA	PeJP	NA	NA
+PJ045647	GGGGPCNEH 	C31H46N12O13S	826.3029	NA	PeJP	NA	NA
+PJ045648	GMMYYY 	C39H50N6O10S2	826.303	NA	PeJP	NA	NA
+PJ045649	PCCCKHH 	C32H50N12O8S3	826.3037	NA	PeJP	NA	NA
+PJ045650	GSSSCCQR 	C28H50N12O13S2	826.3062	NA	PeJP	NA	NA
+PJ045651	CNNQYW 	C36H46N10O11S	826.3068	NA	PeJP	NA	NA
+PJ045652	GGGGCQYW 	C36H46N10O11S	826.3069	NA	PeJP	NA	NA
+PJ045653	SSNNNEY 	C32H46N10O16	826.3093	NA	PeJP	NA	NA
+PJ045654	GSDDDRY 	C32H46N10O16	826.3094	NA	PeJP	NA	NA
+PJ045655	SSCCNKW 	C33H50N10O11S2	826.3102	NA	PeJP	NA	NA
+PJ045656	GGGGGGGMMF 	C33H50N10O11S2	826.3103	NA	PeJP	NA	NA
+PJ045657	GCEFWW 	C41H46N8O9S	826.3109	NA	PeJP	NA	NA
+PJ045658	SSSSSNQM 	C29H50N10O16S	826.3127	NA	PeJP	NA	NA
+PJ045659	SNEEYW 	C37H46N8O14	826.3134	NA	PeJP	NA	NA
+PJ045660	GSDMMMR 	C30H54N10O11S3	826.3136	NA	PeJP	NA	NA
+PJ045661	SSMMWW 	C38H50N8O9S2	826.3142	NA	PeJP	NA	NA
+PJ045662	GAPCMYW 	C38H50N8O9S2	826.3143	NA	PeJP	NA	NA
+PJ045663	SSSTEMW 	C34H50N8O14S	826.3167	NA	PeJP	NA	NA
+PJ045664	GAQEEMY 	C34H50N8O14S	826.3168	NA	PeJP	NA	NA
+PJ045665	GDFYYY 	C42H46N6O12	826.3174	NA	PeJP	NA	NA
+PJ045666	TQMMMW 	C35H54N8O9S3	826.3176	NA	PeJP	NA	NA
+PJ045667	GSTCHHW 	C35H46N12O10S	826.3181	NA	PeJP	NA	NA
+PJ045668	SSSSTTEE 	C30H50N8O19	826.3192	NA	PeJP	NA	NA
+PJ045669	SSDKEMM 	C31H54N8O14S2	826.3201	NA	PeJP	NA	NA
+PJ045670	GSSSSEHH 	C31H46N12O15	826.3206	NA	PeJP	NA	NA
+PJ045671	STMYYY 	C39H50N6O12S	826.3208	NA	PeJP	NA	NA
+PJ045672	GVQMMMM 	C32H58N8O9S4	826.321	NA	PeJP	NA	NA
+PJ045673	GCCNQFR 	C32H50N12O10S2	826.3215	NA	PeJP	NA	NA
+PJ045674	SSSSSCNR 	C28H50N12O15S	826.324	NA	PeJP	NA	NA
+PJ045675	GSSNNYW 	C36H46N10O13	826.3246	NA	PeJP	NA	NA
+PJ045676	SCCCQKR 	C29H54N12O10S3	826.3248	NA	PeJP	NA	NA
+PJ045677	PCCRYW 	C37H50N10O8S2	826.3255	NA	PeJP	NA	NA
+PJ045678	CFWWW 	C45H46N8O6S	826.3261	NA	PeJP	NA	NA
+PJ045679	NDEMRY 	C33H50N10O13S	826.328	NA	PeJP	NA	NA
+PJ045680	GSEYWW 	C41H46N8O11	826.3286	NA	PeJP	NA	NA
+PJ045681	TCMMRW 	C34H54N10O8S3	826.3289	NA	PeJP	NA	NA
+PJ045682	EMHHHH 	C34H46N14O9S	826.3293	NA	PeJP	NA	NA
+PJ045683	GSSSSSSTQ 	C29H50N10O18	826.3305	NA	PeJP	NA	NA
+PJ045684	SSSEMMR 	C30H54N10O13S2	826.3313	NA	PeJP	NA	NA
+PJ045685	GSSSCQKM 	C30H54N10O13S2	826.3314	NA	PeJP	NA	NA
+PJ045686	GNNDDHR 	C30H46N14O14	826.3318	NA	PeJP	NA	NA
+PJ045687	GGGGGDDHR 	C30H46N14O14	826.3319	NA	PeJP	NA	NA
+PJ045688	AQEMYW 	C38H50N8O11S	826.332	NA	PeJP	NA	NA
+PJ045689	QMMMMR 	C31H58N10O8S4	826.3322	NA	PeJP	NA	NA
+PJ045690	GSCMHHR 	C31H50N14O9S2	826.3327	NA	PeJP	NA	NA
+PJ045691	CHHHFF 	C39H46N12O7S	826.3334	NA	PeJP	NA	NA
+PJ045692	GSDKEEY 	C34H50N8O16	826.3345	NA	PeJP	NA	NA
+PJ045693	GTTTMMW 	C35H54N8O11S2	826.3354	NA	PeJP	NA	NA
+PJ045694	SSSSHHW 	C35H46N12O12	826.3358	NA	PeJP	NA	NA
+PJ045695	GGGGQEHW 	C35H46N12O12	826.3359	NA	PeJP	NA	NA
+PJ045696	GMFFYY 	C43H50N6O9S	826.336	NA	PeJP	NA	NA
+PJ045697	SSSSSLEM 	C31H54N8O16S	826.3379	NA	PeJP	NA	NA
+PJ045698	GTKEMMM 	C32H58N8O11S3	826.3387	NA	PeJP	NA	NA
+PJ045699	GGSTLMMM 	C32H58N8O11S3	826.3388	NA	PeJP	NA	NA
+PJ045700	CDDRRY 	C32H50N12O12S	826.3392	NA	PeJP	NA	NA
+PJ045701	SPDHWW 	C40H46N10O10	826.3399	NA	PeJP	NA	NA
+PJ045702	GSSSCCKR 	C29H54N12O12S2	826.3426	NA	PeJP	NA	NA
+PJ045703	GDMRYW 	C37H50N10O10S	826.3432	NA	PeJP	NA	NA
+PJ045704	GGGGCKYW 	C37H50N10O10S	826.3433	NA	PeJP	NA	NA
+PJ045705	CMMMRR 	C30H58N12O7S4	826.3435	NA	PeJP	NA	NA
+PJ045706	SYWWW 	C45H46N8O8	826.3439	NA	PeJP	NA	NA
+PJ045707	GSSEERY 	C33H50N10O15	826.3457	NA	PeJP	NA	NA
+PJ045708	GGGGGGTTTY 	C33H50N10O15	826.3458	NA	PeJP	NA	NA
+PJ045709	GPTCMRY 	C34H54N10O10S2	826.3466	NA	PeJP	NA	NA
+PJ045710	GPNEHHH 	C34H46N14O11	826.3471	NA	PeJP	NA	NA
+PJ045711	AAMYWW 	C42H50N8O8S	826.3473	NA	PeJP	NA	NA
+PJ045712	SSSSSNKM 	C30H54N10O15S	826.3491	NA	PeJP	NA	NA
+PJ045713	SSSPTYW 	C38H50N8O13	826.3497	NA	PeJP	NA	NA
+PJ045714	SDKEYW 	C38H50N8O13	826.3498	NA	PeJP	NA	NA
+PJ045715	GTTMMMR 	C31H58N10O10S3	826.35	NA	PeJP	NA	NA
+PJ045716	SSTCHHR 	C31H50N14O11S	826.3504	NA	PeJP	NA	NA
+PJ045717	GGSPCNHR 	C31H50N14O11S	826.3505	NA	PeJP	NA	NA
+MJ095615	Magnolianin 	C54H50O8	826.350568	NA	MeJP	NA	NA
+PJ045718	PCKMYW 	C39H54N8O8S2	826.3506	NA	PeJP	NA	NA
+PJ045719	GNQHWW 	C39H46N12O9	826.3511	NA	PeJP	NA	NA
+PJ045720	STTTTMW 	C35H54N8O13S	826.3531	NA	PeJP	NA	NA
+PJ045721	GAPPPEEM 	C35H54N8O13S	826.3532	NA	PeJP	NA	NA
+PJ045722	GVYYYY 	C43H50N6O11	826.3538	NA	PeJP	NA	NA
+PJ045723	TKMMMW 	C36H58N8O8S3	826.354	NA	PeJP	NA	NA
+PJ045724	PCEHRW 	C36H50N12O9S	826.3545	NA	PeJP	NA	NA
+PJ045725	SSTTTTTE 	C31H54N8O18	826.3556	NA	PeJP	NA	NA
+PJ045726	STTKEMM 	C32H58N8O13S2	826.3565	NA	PeJP	NA	NA
+PJ045727	SSSNNRY 	C32H50N12O14	826.357	NA	PeJP	NA	NA
+PJ045728	GVKMMMM 	C33H62N8O8S4	826.3574	NA	PeJP	NA	NA
+MJ095616	Tremasterol A; 6'-Ac 	C37H63O16PS	826.357443	NA	MeJP	NA	NA
+PJ045729	GCCNKFR 	C33H54N12O9S2	826.3578	NA	PeJP	NA	NA
+PJ045730	CDMFRR 	C33H54N12O9S2	826.3579	NA	PeJP	NA	NA
+PJ045731	APMHWW 	C41H50N10O7S	826.3585	NA	PeJP	NA	NA
+PJ045732	SSERYW 	C37H50N10O12	826.361	NA	PeJP	NA	NA
+PJ045733	SCCCKKR 	C30H58N12O9S3	826.3612	NA	PeJP	NA	NA
+PJ045734	GMMFRW 	C38H54N10O7S2	826.3619	NA	PeJP	NA	NA
+PJ045735	PNHHHW 	C38H46N14O8	826.3623	NA	PeJP	NA	NA
+PJ045736	GGPHHHW 	C38H46N14O8	826.3624	NA	PeJP	NA	NA
+PJ045737	TQEMRY 	C34H54N10O12S	826.3644	NA	PeJP	NA	NA
+PJ045738	ATTYWW 	C42H50N8O10	826.365	NA	PeJP	NA	NA
+PJ045739	CQHHFR 	C35H50N14O8S	826.3657	NA	PeJP	NA	NA
+PJ045740	GSSSSSSTK 	C30H54N10O17	826.3669	NA	PeJP	NA	NA
+PJ045741	STTTMMR 	C31H58N10O12S2	826.3677	NA	PeJP	NA	NA
+PJ045742	DDEHRR 	C31H50N14O13	826.3682	NA	PeJP	NA	NA
+PJ045743	AKEMYW 	C39H54N8O10S	826.3684	NA	PeJP	NA	NA
+PJ045744	KMMMMR 	C32H62N10O7S4	826.3686	NA	PeJP	NA	NA
+PJ045745	GFFFFY 	C47H50N6O8	826.369	NA	PeJP	NA	NA
+PJ045746	GTTKEEY 	C35H54N8O15	826.3709	NA	PeJP	NA	NA
+PJ045747	GPTKMMY 	C36H58N8O10S2	826.3718	NA	PeJP	NA	NA
+PJ045748	AEEHRW 	C36H50N12O11	826.3722	NA	PeJP	NA	NA
+PJ045749	GGGGKEHW 	C36H50N12O11	826.3723	NA	PeJP	NA	NA
+PJ045750	SSSTTTLM 	C32H58N8O15S	826.3743	NA	PeJP	NA	NA
+PJ045751	SSLKMMM 	C33H62N8O10S3	826.3751	NA	PeJP	NA	NA
+PJ045752	SDMRRY 	C33H54N12O11S	826.3756	NA	PeJP	NA	NA
+PJ045753	GLEHWW 	C41H50N10O9	826.3763	NA	PeJP	NA	NA
+PJ045754	ATMRYW 	C38H54N10O9S	826.3796	NA	PeJP	NA	NA
+PJ045755	AAFFWW 	C46H50N8O7	826.3803	NA	PeJP	NA	NA
+PJ045756	GTTTERY 	C34H54N10O14	826.3821	NA	PeJP	NA	NA
+PJ045757	GGGGGSPPLE 	C34H54N10O14	826.3822	NA	PeJP	NA	NA
+PJ045758	VQMMRY 	C35H58N10O9S2	826.383	NA	PeJP	NA	NA
+MJ095617	4(15)-Eudesmene-2,11-diol; 2?-form, 2,11-Di-O-[?-D-apiofuranosyl-(1?6)-?-D-glucopyranoside] 	C37H62O20	826.383444	NA	MeJP	NA	NA
+PJ045759	SNQHRW 	C35H50N14O10	826.3835	NA	PeJP	NA	NA
+PJ045760	PCKFFW 	C43H54N8O7S	826.3837	NA	PeJP	NA	NA
+PJ045761	SSSSTCKK 	C31H58N10O14S	826.3855	NA	PeJP	NA	NA
+PJ045762	TTKEYW 	C39H54N8O12	826.3861	NA	PeJP	NA	NA
+PJ045763	GPPLEEW 	C39H54N8O12	826.3862	NA	PeJP	NA	NA
+PJ045764	SCCKKKM 	C32H62N10O9S3	826.3864	NA	PeJP	NA	NA
+PJ045765	QQQMHR 	C32H54N14O10S	826.3868	NA	PeJP	NA	NA
+PJ045766	GGAAQMHR 	C32H54N14O10S	826.3869	NA	PeJP	NA	NA
+PJ045767	CLKMFW 	C40H58N8O7S2	826.387	NA	PeJP	NA	NA
+PJ045768	GNKHWW 	C40H50N12O8	826.3875	NA	PeJP	NA	NA
+7417	coeliac toxic peptide	QPFPQPQQPFPQSQ	826.388	MH2+	Inhouse_peptide	NA	peptide
+PJ045769	KKEEMY 	C36H58N8O12S	826.3895	NA	PeJP	NA	NA
+PJ045770	PTMHRW 	C37H54N12O8S	826.3909	NA	PeJP	NA	NA
+PJ045771	LHWWW 	C45H50N10O6	826.3915	NA	PeJP	NA	NA
+PJ045772	TTTTTTTT 	C32H58N8O17	826.392	NA	PeJP	NA	NA
+PJ045773	SSLQQQH 	C33H54N12O13	826.3933	NA	PeJP	NA	NA
+PJ045774	KEEEHR 	C33H54N12O13	826.3934	NA	PeJP	NA	NA
+PJ045775	AMMRRY 	C34H58N12O8S2	826.3942	NA	PeJP	NA	NA
+PJ045776	GSPHHHR 	C34H50N16O9	826.3947	NA	PeJP	NA	NA
+PJ045777	TTTRYW 	C38H54N10O11	826.3974	NA	PeJP	NA	NA
+PJ045778	NNMHRR 	C31H54N16O9S	826.3981	NA	PeJP	NA	NA
+MJ095618	Fevicordin F; 2-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H62O17	826.3987	NA	MeJP	NA	NA
+MJ095619	Fevicordin F; 23,24-Dihydro, 22-ketone, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H62O17	826.3987	NA	MeJP	NA	NA
+PJ045779	LHHHHF 	C39H50N14O7	826.3987	NA	PeJP	NA	NA
+PJ045780	ASSLMRY 	C35H58N10O11S	826.4007	NA	PeJP	NA	NA
+PJ045781	TKEMRY 	C35H58N10O11S	826.4008	NA	PeJP	NA	NA
+MJ095620	Hymenamide C 	C43H54N8O9	826.401375	NA	MeJP	NA	NA
+PJ045782	PPLEWW 	C43H54N8O9	826.4014	NA	PeJP	NA	NA
+PJ045783	CKHHFR 	C36H54N14O7S	826.4021	NA	PeJP	NA	NA
+PJ045784	TEEHRR 	C32H54N14O12	826.4046	NA	PeJP	NA	NA
+PJ045785	SLKMYW 	C40H58N8O9S	826.4048	NA	PeJP	NA	NA
+PJ045786	PMMHRR 	C33H58N14O7S2	826.4055	NA	PeJP	NA	NA
+PJ045787	SSTLKEY 	C36H58N8O14	826.4073	NA	PeJP	NA	NA
+PJ045788	ASLKMMF 	C37H62N8O9S2	826.4081	NA	PeJP	NA	NA
+PJ045789	AALKMMY 	C37H62N8O9S2	826.4082	NA	PeJP	NA	NA
+PJ045790	SLEHRW 	C37H54N12O10	826.4086	NA	PeJP	NA	NA
+PJ045791	TTMRRY 	C34H58N12O10S	826.412	NA	PeJP	NA	NA
+PJ045792	SVLHWW 	C42H54N10O8	826.4126	NA	PeJP	NA	NA
+PJ045793	GGPPKWW 	C42H54N10O8	826.4127	NA	PeJP	NA	NA
+MJ095621	Leurosidine; Nb'-Oxide 	C46H58N4O10	826.415294	NA	MeJP	NA	NA
+MJ095622	Vinblastine; 14'-Hydroxy 	C46H58N4O10	826.415294	NA	MeJP	NA	NA
+MJ095623	Vinblastine; 15'?-Hydroxy 	C46H58N4O10	826.415294	NA	MeJP	NA	NA
+MJ095624	Vinblastine; 15'?-Hydroxy 	C46H58N4O10	826.415294	NA	MeJP	NA	NA
+PJ045794	GSSQHRR 	C31H54N16O11	826.4158	NA	PeJP	NA	NA
+PJ045795	GGGGGPNRR 	C31H54N16O11	826.4159	NA	PeJP	NA	NA
+PJ045796	LLQMHW 	C39H58N10O8S	826.416	NA	PeJP	NA	NA
+PJ045797	SSTTLRY 	C35H58N10O13	826.4185	NA	PeJP	NA	NA
+PJ045798	VKMMRY 	C36H62N10O8S2	826.4194	NA	PeJP	NA	NA
+PJ045799	SNKHRW 	C36H54N14O9	826.4199	NA	PeJP	NA	NA
+PJ045800	SPPVLEW 	C40H58N8O11	826.4225	NA	PeJP	NA	NA
+MJ095625	Stelladelin B 	C40H58N8O11	826.422504	NA	MeJP	NA	NA
+PJ045801	GAPPPLEF 	C40H58N8O11	826.4226	NA	PeJP	NA	NA
+PJ045802	VEMHRR 	C33H58N14O9S	826.4232	NA	PeJP	NA	NA
+PJ045803	FRRYW 	C41H54N12O7	826.4239	NA	PeJP	NA	NA
+PJ045804	ATTLKMY 	C37H62N8O11S	826.4259	NA	PeJP	NA	NA
+PJ045805	VVMHRW 	C38H58N12O7S	826.4273	NA	PeJP	NA	NA
+PJ045806	ATTLEHR 	C34H58N12O12	826.4297	NA	PeJP	NA	NA
+PJ045807	VVTTDHR 	C34H58N12O12	826.4298	NA	PeJP	NA	NA
+PJ045808	LQHHHR 	C35H54N16O8	826.4311	NA	PeJP	NA	NA
+PJ045809	GTTLLHW 	C39H58N10O10	826.4338	NA	PeJP	NA	NA
+PJ045810	CQKHRR 	C32H58N16O8S	826.4345	NA	PeJP	NA	NA
+MJ095626	2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside] 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095627	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095628	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095629	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095630	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Xylopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095631	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], 20-epimer, 30-Me ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095632	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095633	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095634	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095635	3,16-Dihydroxy-12-oleanene-23,28-dioic acid, 23,28-Di-O-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095636	3,16-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095637	3,19-Dihydroxy-12-oleanene-24,28-dioic acid, 24,28-Di-O-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095638	3,19-Dihydroxy-12-ursene-24,28-dioic acid, 24,28-Di-O-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095639	3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 28-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095640	3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 3-O-?-D-glucopyranoside, 28-?-D-glucopyranosyl ester 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095641	3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 3-O-[?-D-galactopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H66O16	826.435086	NA	MeJP	NA	NA
+MJ095642	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C42H66O16	826.435086	NA	MeJP	NA	NA
+PJ045811	GTCKKKY 	C36H62N10O10S	826.4371	NA	PeJP	NA	NA
+PJ045812	PPVVEMR 	C36H62N10O10S	826.4372	NA	PeJP	NA	NA
+PJ045813	ALKFYW 	C44H58N8O8	826.4378	NA	PeJP	NA	NA
+PJ045814	AAPQERR 	C33H58N14O11	826.441	NA	PeJP	NA	NA
+PJ045815	APPLLMW 	C41H62N8O8S	826.4412	NA	PeJP	NA	NA
+PJ045816	TTTTLKY 	C37H62N8O13	826.4436	NA	PeJP	NA	NA
+PJ045817	PVLLQEE 	C37H62N8O13	826.4437	NA	PeJP	NA	NA
+PJ045818	GSPPKRW 	C38H58N12O9	826.445	NA	PeJP	NA	NA
+2631	synthetic fr, of human beta-CN (46-52) ACE inhibitor	PQPLIYP	826.445	NA	Inhouse_peptide	NA	peptide
+PJ045819	GTLLMHR 	C35H62N12O9S	826.4484	NA	PeJP	NA	NA
+PJ045820	PLKHFW 	C43H58N10O7	826.449	NA	PeJP	NA	NA
+PJ045821	PNERRR 	C32H58N16O10	826.4522	NA	PeJP	NA	NA
+PJ045822	LLKMHW 	C40H62N10O7S	826.4524	NA	PeJP	NA	NA
+PJ045823	SSSKKKY 	C36H62N10O12	826.4549	NA	PeJP	NA	NA
+PJ045824	PVNRRW 	C37H58N14O8	826.4562	NA	PeJP	NA	NA
+PJ045825	GGPVRRW 	C37H58N14O8	826.4563	NA	PeJP	NA	NA
+PJ045826	GPLLLEW 	C41H62N8O10	826.4589	NA	PeJP	NA	NA
+PJ045827	APPCKRR 	C34H62N14O8S	826.4596	NA	PeJP	NA	NA
+PJ045828	PPLLKEM 	C38H66N8O10S	826.4623	NA	PeJP	NA	NA
+PJ045829	STTLLHR 	C35H62N12O11	826.4661	NA	PeJP	NA	NA
+PJ045830	GGAPLKER 	C35H62N12O11	826.4662	NA	PeJP	NA	NA
+PJ045831	GPRRRW 	C36H58N16O7	826.4675	NA	PeJP	NA	NA
+PJ045832	NKKKFY 	C40H62N10O9	826.4701	NA	PeJP	NA	NA
+PJ045833	APPTKKW 	C40H62N10O9	826.4702	NA	PeJP	NA	NA
+PJ045834	CKKHRR 	C33H62N16O7S	826.4708	NA	PeJP	NA	NA
+MJ095643	20,24-Epoxycycloartane-3,6,16,25-tetrol, 16-Ac, 3-O-?-D-xylopyranoside, 6-O-?-D-glucopyranoside 	C43H70O15	826.471471	NA	MeJP	NA	NA
+MJ095644	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C43H70O15	826.471471	NA	MeJP	NA	NA
+MJ095645	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(3-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C43H70O15	826.471471	NA	MeJP	NA	NA
+MJ095646	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(4-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C43H70O15	826.471471	NA	MeJP	NA	NA
+MJ095647	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Glucopyranoside, 3-O-(2-O-acetyl-?-D-xylopyranoside) 	C43H70O15	826.471471	NA	MeJP	NA	NA
+PJ045835	PPTLLMR 	C37H66N10O9S	826.4735	NA	PeJP	NA	NA
+PJ045836	PLLLWW 	C45H62N8O7	826.4742	NA	PeJP	NA	NA
+PJ045837	AAPKERR 	C34H62N14O10	826.4774	NA	PeJP	NA	NA
+PJ045838	SSPPTLLL 	C38H66N8O12	826.48	NA	PeJP	NA	NA
+PJ045839	PVLLKEE 	C38H66N8O12	826.4801	NA	PeJP	NA	NA
+PJ045840	PLQKRW 	C39H62N12O8	826.4814	NA	PeJP	NA	NA
+PJ045841	APPKKMR 	C36H66N12O8S	826.4848	NA	PeJP	NA	NA
+PJ045842	PDKRRR 	C33H62N16O9	826.4886	NA	PeJP	NA	NA
+PJ045843	SPLLLER 	C37H66N10O11	826.4913	NA	PeJP	NA	NA
+PJ045844	VLHFRR 	C38H62N14O7	826.4926	NA	PeJP	NA	NA
+PJ045845	SPVLLLW 	C42H66N8O9	826.4953	NA	PeJP	NA	NA
+PJ045846	KKKMHR 	C35H66N14O7S	826.496	NA	PeJP	NA	NA
+PJ045847	PLLLLQM 	C39H70N8O9S	826.4987	NA	PeJP	NA	NA
+PJ045848	SPRRRR 	C32H62N18O8	826.4998	NA	PeJP	NA	NA
+PJ045849	GPLKKER 	C36H66N12O10	826.5025	NA	PeJP	NA	NA
+PJ045850	GPVLKKW 	C41H66N10O8	826.5065	NA	PeJP	NA	NA
+MJ095648	Scopamycin A 	C44H74O14	826.507857	NA	MeJP	NA	NA
+PJ045851	PVVLLMR 	C38H70N10O8S	826.5099	NA	PeJP	NA	NA
+2579	tenecin-1 (35-43)	NGKRVCVCR~	826.5119	antibacterial	Inhouse_peptide	NA	peptide
+2582	tenecin-1 (34-43)	CNGKRVCVCR~	826.5119	antibacterial	Inhouse_peptide	NA	peptide
+PJ045852	GPTLKRR 	C35H66N14O9	826.5138	NA	PeJP	NA	NA
+PJ045853	VLLLLQE 	C39H70N8O11	826.5164	NA	PeJP	NA	NA
+PJ045854	GGLLLLLE 	C39H70N8O11	826.5165	NA	PeJP	NA	NA
+PJ045855	PLKKRW 	C40H66N12O7	826.5178	NA	PeJP	NA	NA
+MJ095649	Bacchomagellins; Bacchomagellin B 	C48H74O11	826.523113	NA	MeJP	NA	NA
+PJ045856	VLQRRR 	C34H66N16O8	826.525	NA	PeJP	NA	NA
+2952	mastoparan from vespa vasalis	LKLKSIVAWAKKVLG	826.527	MH2+	Inhouse_peptide	NA	peptide
+PJ045857	ALLLLER 	C38H70N10O10	826.5277	NA	PeJP	NA	NA
+PJ045858	GLLLLLW 	C43H70N8O8	826.5317	NA	PeJP	NA	NA
+PJ045859	PLLLLKM 	C40H74N8O8S	826.5351	NA	PeJP	NA	NA
+PJ045860	ALRRRR 	C33H66N18O7	826.5362	NA	PeJP	NA	NA
+PJ045861	SPVLKKR 	C37H70N12O9	826.5389	NA	PeJP	NA	NA
+PJ045862	AALLKRR 	C36H70N14O8	826.5501	NA	PeJP	NA	NA
+PJ045863	GVVLKRR 	C36H70N14O8	826.5502	NA	PeJP	NA	NA
+PJ045864	VLLLLKE 	C40H74N8O10	826.5528	NA	PeJP	NA	NA
+PJ045865	VLKRRR 	C35H70N16O7	826.5614	NA	PeJP	NA	NA
+PJ045866	SLLLLLR 	C39H74N10O9	826.5641	NA	PeJP	NA	NA
+HMDB10611	PG(18:0/22:4(7Z,10Z,13Z,16Z))	C46H83O10P	826.572388	NA	HMDB2010	NA	NA
+PJ045867	GLLLKKR 	C38H74N12O8	826.5753	NA	PeJP	NA	NA
+PJ045868	VVLLKKK 	C40H78N10O8	826.6004	NA	PeJP	NA	NA
+MJ095650	Oleanolic acid glycosyl esters; Monoglycosides, 3-Hexadecanoyl, 28-O-?-L-arabinopyranosyl ester 	C51H86O8	826.632269	NA	MeJP	NA	NA
+MJ095651	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-E-cinnamoyl), 28-O-hexadecanoyl 	C55H86O5	826.647525	NA	MeJP	NA	NA
+MJ095652	Ergost-5-en-3-ol, O-[6-O-(9Z-Octadecenoyl)-?-D-glucopyranoside] 	C52H90O7	826.668655	NA	MeJP	NA	NA
+HMDB05435	TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3]	C53H94O6	826.705017	NA	HMDB2010	NA	NA
+HMDB10424	TG(16:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	C53H94O6	826.705017	NA	HMDB2010	NA	NA
+HMDB10470	TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]	C53H94O6	826.705017	NA	HMDB2010	NA	NA
+HMDB05435	TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3]	C53H94O6	826.70502	http://www.hmdb.ca/metabolites/HMDB05435	HMDB	NA	NA
+HMDB05435	TG(16:1(9Z)/16:1(9Z)/18:2(9Z,12Z))[iso3]	C53H94O6	826.70502	HMDB05435	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10346	Triiodothyronine glucuronide	C21H20I3NO10	826.822144	NA	HMDB2010	NA	NA
+PJ045869	CCCCCMY 	C29H45N7O9S6	827.1603	NA	PeJP	NA	NA
+FL7AAIGL0035	Malvidin 3,7-di-(6-malonylglucoside)	C35H39O23	827.18821	783287-55-8	knapsack	NA	NA
+PJ045870	CCCCEMH 	C28H45N9O10S5	827.1893	NA	PeJP	NA	NA
+PJ045871	CCCCCFF 	C33H45N7O8S5	827.1933	NA	PeJP	NA	NA
+PJ045872	CDDDDDM 	C28H41N7O18S2	827.195	NA	PeJP	NA	NA
+FL7AAAGL0034	Pelargonidin 3-(6''-p-coumarylglucoside)-5-(4'''-malonylglucoside)	C39H39O20	827.20346	167774-89-2	knapsack	NA	NA
+FL7AAAGL0035	Monodemalonylmonardaein	C39H39O20	827.20346	101205-00-9	knapsack	NA	NA
+PJ045873	GSCCNDDD 	C27H41N9O17S2	827.2062	NA	PeJP	NA	NA
+PJ045874	GPCCCCNE 	C28H45N9O12S4	827.2071	NA	PeJP	NA	NA
+PJ045875	ACCCCYY 	C33H45N7O10S4	827.2111	NA	PeJP	NA	NA
+PJ045876	PCCCCNW 	C32H45N9O9S4	827.2223	NA	PeJP	NA	NA
+PJ045877	GGPCCCCW 	C32H45N9O9S4	827.2224	NA	PeJP	NA	NA
+PJ045878	CCNNDEM 	C28H45N9O14S3	827.2248	NA	PeJP	NA	NA
+PJ045879	GGCCNDEM 	C28H45N9O14S3	827.2249	NA	PeJP	NA	NA
+PJ045880	TCCCMMH 	C29H49N9O9S5	827.2257	NA	PeJP	NA	NA
+MJ095653	Benanomicin A 	C39H41NO19	827.227278	NA	MeJP	NA	NA
+C06788	Benanomicin A	C39H41NO19	827.2273	NA	KEGG	NA	NA
+PJ045881	SSCCCYY 	C33H45N7O12S3	827.2289	NA	PeJP	NA	NA
+PJ045882	SDDDDMM 	C29H45N7O17S2	827.2314	NA	PeJP	NA	NA
+PJ045883	PCCDEMM 	C30H49N7O12S4	827.2322	NA	PeJP	NA	NA
+PJ045884	CCCNDDR 	C27H45N11O13S3	827.2361	NA	PeJP	NA	NA
+PJ045885	GCCNDMW 	C32H45N9O11S3	827.2401	NA	PeJP	NA	NA
+PJ045886	GSSCNDDM 	C28H45N9O16S2	827.2426	NA	PeJP	NA	NA
+PJ045887	GSPCCCQM 	C29H49N9O11S4	827.2435	NA	PeJP	NA	NA
+C11441	Deshydroxy-C-1027 chromophore	C43H42ClN3O12	827.2457	NA	KEGG	NA	NA
+PJ045888	GDDDDEY 	C32H41N7O19	827.2458	NA	PeJP	NA	NA
+PJ045889	PCCDDEF 	C33H45N7O14S2	827.2466	NA	PeJP	NA	NA
+PJ045890	GDDEMMM 	C30H49N7O14S3	827.25	NA	PeJP	NA	NA
+PJ045891	SCDDDHH 	C30H41N11O15S	827.2505	NA	PeJP	NA	NA
+PJ045892	PCCCEHH 	C31H45N11O10S3	827.2513	NA	PeJP	NA	NA
+PJ045893	SSSCCNNN 	C27H45N11O15S2	827.2538	NA	PeJP	NA	NA
+PJ045894	GSPCCCCR 	C28H49N11O10S4	827.2547	NA	PeJP	NA	NA
+PJ045895	CCCQWW 	C36H45N9O8S3	827.2554	NA	PeJP	NA	NA
+PJ045896	PDDDDDH 	C31H41N9O18	827.257	NA	PeJP	NA	NA
+PJ045897	SSCCEHY 	C32H45N9O13S2	827.2578	NA	PeJP	NA	NA
+PJ045898	SSCCNEW 	C32H45N9O13S2	827.2579	NA	PeJP	NA	NA
+PJ045899	GCCMMHF 	C33H49N9O8S4	827.2587	NA	PeJP	NA	NA
+PJ045900	SSSSCNDE 	C28H45N9O18S	827.2604	NA	PeJP	NA	NA
+PJ045901	DDDDYW 	C36H41N7O16	827.261	NA	PeJP	NA	NA
+PJ045902	SCNNEMM 	C29H49N9O13S3	827.2612	NA	PeJP	NA	NA
+PJ045903	CCNYYY 	C37H45N7O11S2	827.2619	NA	PeJP	NA	NA
+PJ045904	SPCDDEY 	C33H45N7O16S	827.2644	NA	PeJP	NA	NA
+PJ045905	DDMMMW 	C34H49N7O11S3	827.2652	NA	PeJP	NA	NA
+PJ045906	SSDEEMM 	C30H49N7O16S2	827.2678	NA	PeJP	NA	NA
+PJ045907	SPCEMMM 	C31H53N7O11S4	827.2686	NA	PeJP	NA	NA
+PJ045908	CCNNNNF 	C31H45N11O12S2	827.2691	NA	PeJP	NA	NA
+PJ045909	SCCNDMR 	C28H49N11O12S3	827.2725	NA	PeJP	NA	NA
+PJ045910	GSSCCWW 	C36H45N9O10S2	827.2731	NA	PeJP	NA	NA
+PJ045911	GSSSSCDW 	C32H45N9O15S	827.2756	NA	PeJP	NA	NA
+PJ045912	GSCNMMW 	C33H49N9O10S3	827.2765	NA	PeJP	NA	NA
+PJ045913	GSSSSSSDD 	C28H45N9O20	827.2781	NA	PeJP	NA	NA
+PJ045914	GSSSNDMM 	C29H49N9O15S2	827.279	NA	PeJP	NA	NA
+PJ045915	DDDMFW 	C37H45N7O13S	827.2796	NA	PeJP	NA	NA
+PJ045916	GCQQMMM 	C30H53N9O10S4	827.2798	NA	PeJP	NA	NA
+PJ045917	GNNMMMM 	C30H53N9O10S4	827.2799	NA	PeJP	NA	NA
+PJ045918	SCCNQHH 	C30H45N13O11S2	827.2803	NA	PeJP	NA	NA
+PJ045919	GSDEEEY 	C33H45N7O18	827.2821	NA	PeJP	NA	NA
+PJ045920	GPDDMMY 	C34H49N7O13S2	827.283	NA	PeJP	NA	NA
+PJ045921	PPCCMMF 	C35H53N7O8S4	827.2839	NA	PeJP	NA	NA
+PJ045922	CDMHHW 	C35H45N11O9S2	827.2844	NA	PeJP	NA	NA
+PJ045923	GTEEMMM 	C31H53N7O13S3	827.2864	NA	PeJP	NA	NA
+PJ045924	SCNNNNY 	C31H45N11O14S	827.2868	NA	PeJP	NA	NA
+PJ045925	GGGGSCNNY 	C31H45N11O14S	827.2869	NA	PeJP	NA	NA
+PJ045926	GPMMMMM 	C32H57N7O8S5	827.2873	NA	PeJP	NA	NA
+PJ045927	GTCCCRW 	C32H49N11O9S3	827.2877	NA	PeJP	NA	NA
+PJ045928	GSSSCCER 	C28H49N11O14S2	827.2902	NA	PeJP	NA	NA
+PJ045929	CNNEYW 	C36H45N9O12S	827.2909	NA	PeJP	NA	NA
+PJ045930	GCCQMMR 	C29H53N11O9S4	827.2911	NA	PeJP	NA	NA
+PJ045931	CCCKWW 	C37H49N9O7S3	827.2917	NA	PeJP	NA	NA
+PJ045932	SSNNDEY 	C32H45N9O17	827.2934	NA	PeJP	NA	NA
+PJ045933	SSSCQMW 	C33H49N9O12S2	827.2942	NA	PeJP	NA	NA
+PJ045934	GGGGSPCMY 	C33H49N9O12S2	827.2943	NA	PeJP	NA	NA
+PJ045935	SSSSSNEM 	C29H49N9O17S	827.2967	NA	PeJP	NA	NA
+PJ045936	SDEEYW 	C37H45N7O15	827.2974	NA	PeJP	NA	NA
+PJ045937	SSNQMMM 	C30H53N9O12S3	827.2976	NA	PeJP	NA	NA
+PJ045938	GSSSCNHH 	C30H45N13O13S	827.2981	NA	PeJP	NA	NA
+PJ045939	PCEMYW 	C38H49N7O10S2	827.2983	NA	PeJP	NA	NA
+PJ045940	QEEEMY 	C34H49N7O15S	827.3008	NA	PeJP	NA	NA
+PJ045941	TEMMMW 	C35H53N7O10S3	827.3016	NA	PeJP	NA	NA
+PJ045942	GPCNDHW 	C35H45N11O11S	827.3021	NA	PeJP	NA	NA
+PJ045943	GCCCMRR 	C28H53N13O8S4	827.3023	NA	PeJP	NA	NA
+PJ045944	STTEEMM 	C31H53N7O15S2	827.3041	NA	PeJP	NA	NA
+PJ045945	GNNEEEH 	C31H45N11O16	827.3046	NA	PeJP	NA	NA
+PJ045946	GVEMMMM 	C32H57N7O10S4	827.305	NA	PeJP	NA	NA
+PJ045947	SSSCCRW 	C32H49N11O11S2	827.3055	NA	PeJP	NA	NA
+PJ045948	GCNYWW 	C40H45N9O9S	827.3061	NA	PeJP	NA	NA
+PJ045949	SSSSSCDR 	C28H49N11O16S	827.308	NA	PeJP	NA	NA
+PJ045950	GSSNDYW 	C36H45N9O14	827.3086	NA	PeJP	NA	NA
+PJ045951	GGGGGDDFF 	C36H45N9O14	827.3087	NA	PeJP	NA	NA
+PJ045952	SSCNMMR 	C29H53N11O11S3	827.3088	NA	PeJP	NA	NA
+PJ045953	GGSSCMMR 	C29H53N11O11S3	827.3089	NA	PeJP	NA	NA
+PJ045954	CNQMFW 	C37H49N9O9S2	827.3095	NA	PeJP	NA	NA
+PJ045955	GSSSSSMW 	C33H49N9O14S	827.312	NA	PeJP	NA	NA
+PJ045956	GTCCKMW 	C34H53N9O9S3	827.3129	NA	PeJP	NA	NA
+PJ045957	GCNNHHF 	C34H45N13O10S	827.3133	NA	PeJP	NA	NA
+PJ045958	GGGCNHHF 	C34H45N13O10S	827.3134	NA	PeJP	NA	NA
+PJ045959	GSSSSSSTE 	C29H49N9O19	827.3145	NA	PeJP	NA	NA
+PJ045960	GSSSTQMM 	C30H53N9O14S2	827.3154	NA	PeJP	NA	NA
+PJ045961	SNNNNEH 	C30H45N13O15	827.3158	NA	PeJP	NA	NA
+PJ045962	GNDDDHR 	C30H45N13O15	827.3159	NA	PeJP	NA	NA
+PJ045963	AEEMYW 	C38H49N7O12S	827.316	NA	PeJP	NA	NA
+PJ045964	EMMMMR 	C31H57N9O9S4	827.3162	NA	PeJP	NA	NA
+PJ045965	GGACKMMM 	C31H57N9O9S4	827.3163	NA	PeJP	NA	NA
+PJ045966	SCCNKHH 	C31H49N13O10S2	827.3167	NA	PeJP	NA	NA
+PJ045967	GTTEEEY 	C34H49N7O17	827.3185	NA	PeJP	NA	NA
+PJ045968	GPTEMMY 	C35H53N7O12S2	827.3194	NA	PeJP	NA	NA
+PJ045969	NNEEHW 	C35H45N11O13	827.3199	NA	PeJP	NA	NA
+PJ045970	STCCCRR 	C28H53N13O10S3	827.3201	NA	PeJP	NA	NA
+PJ045971	VMMMMW 	C36H57N7O7S4	827.3203	NA	PeJP	NA	NA
+PJ045972	CCNFRW 	C36H49N11O8S2	827.3207	NA	PeJP	NA	NA
+PJ045973	SSLEMMM 	C32H57N7O12S3	827.3228	NA	PeJP	NA	NA
+PJ045974	GSCNERY 	C32H49N11O13S	827.3232	NA	PeJP	NA	NA
+PJ045975	GGGGSPEMH 	C32H49N11O13S	827.3233	NA	PeJP	NA	NA
+PJ045976	AAMMMHH 	C33H53N11O8S3	827.3241	NA	PeJP	NA	NA
+PJ045977	GTCHHHH 	C33H45N15O9S	827.3246	NA	PeJP	NA	NA
+PJ045978	GSSSTCMR 	C29H53N11O13S2	827.3266	NA	PeJP	NA	NA
+PJ045979	SNQMYW 	C37H49N9O11S	827.3272	NA	PeJP	NA	NA
+PJ045980	GGSQMYW 	C37H49N9O11S	827.3273	NA	PeJP	NA	NA
+PJ045981	GCCKMMR 	C30H57N11O8S4	827.3275	NA	PeJP	NA	NA
+PJ045982	SSSSSSTW 	C33H49N9O16	827.3297	NA	PeJP	NA	NA
+PJ045983	GGSSTQEY 	C33H49N9O16	827.3298	NA	PeJP	NA	NA
+PJ045984	SSSCKMW 	C34H53N9O11S2	827.3306	NA	PeJP	NA	NA
+PJ045985	GSNNNHW 	C34H45N13O12	827.3311	NA	PeJP	NA	NA
+PJ045986	PPCYYW 	C42H49N7O9S	827.3313	NA	PeJP	NA	NA
+PJ045987	SSSSSDKM 	C30H53N9O16S	827.3331	NA	PeJP	NA	NA
+PJ045988	TTEEYW 	C38H49N7O14	827.3338	NA	PeJP	NA	NA
+PJ045989	SSNKMMM 	C31H57N9O11S3	827.334	NA	PeJP	NA	NA
+PJ045990	SPCNDHR 	C31H49N13O12S	827.3345	NA	PeJP	NA	NA
+PJ045991	PTMMYW 	C39H53N7O9S2	827.3346	NA	PeJP	NA	NA
+PJ045992	VDMMFW 	C39H53N7O9S2	827.3347	NA	PeJP	NA	NA
+PJ045993	GNEHWW 	C39H45N11O10	827.3351	NA	PeJP	NA	NA
+MJ095654	Aclacinomycin A; 9-Hydroxy 	C42H53NO16	827.336434	NA	MeJP	NA	NA
+MJ095655	Aclacinomycin G2 	C42H53NO16	827.336434	NA	MeJP	NA	NA
+MJ095656	Cinerubin A 	C42H53NO16	827.336434	NA	MeJP	NA	NA
+MJ095657	Epelmycin A; 3B?-Hydroxy 	C42H53NO16	827.336434	NA	MeJP	NA	NA
+MJ095658	Streptovaricin; Streptovaricin A 	C42H53NO16	827.336434	NA	MeJP	NA	NA
+MJ095659	Streptovaricin; Streptovaricin G, 17-Ac 	C42H53NO16	827.336434	NA	MeJP	NA	NA
+PJ045994	KEEEMY 	C35H53N7O14S	827.3371	NA	PeJP	NA	NA
+PJ045995	VVTCDEY 	C35H53N7O14S	827.3372	NA	PeJP	NA	NA
+PJ045996	GPVMMMY 	C36H57N7O9S3	827.338	NA	PeJP	NA	NA
+PJ045997	SCNRYW 	C36H49N11O10S	827.3385	NA	PeJP	NA	NA
+PJ045998	SSSNDRY 	C32H49N11O15	827.341	NA	PeJP	NA	NA
+PJ045999	ATLMMMM 	C33H61N7O9S4	827.3414	NA	PeJP	NA	NA
+PJ046000	NNMMRY 	C33H53N11O10S2	827.3419	NA	PeJP	NA	NA
+PJ046001	SSSHHHH 	C33H45N15O11	827.3423	NA	PeJP	NA	NA
+PJ046002	CQHFFF 	C41H49N9O8S	827.3425	NA	PeJP	NA	NA
+PJ046003	SSSSSSMR 	C29H53N11O15S	827.3444	NA	PeJP	NA	NA
+PJ046004	GSSTQYW 	C37H49N9O13	827.345	NA	PeJP	NA	NA
+PJ046005	STCCKMR 	C30H57N11O10S3	827.3452	NA	PeJP	NA	NA
+PJ046006	GCNNQHR 	C30H49N15O11S	827.3457	NA	PeJP	NA	NA
+PJ046007	CNKMFW 	C38H53N9O8S2	827.3459	NA	PeJP	NA	NA
+PJ046008	PDHHHW 	C38H45N13O9	827.3464	NA	PeJP	NA	NA
+PJ046009	TEEMRY 	C34H53N9O13S	827.3484	NA	PeJP	NA	NA
+PJ046010	APEYYW 	C42H49N7O11	827.349	NA	PeJP	NA	NA
+PJ046011	PMMMRY 	C35H57N9O8S3	827.3493	NA	PeJP	NA	NA
+PJ046012	CEHHFR 	C35H49N13O9S	827.3497	NA	PeJP	NA	NA
+PJ046013	NHWWW 	C43H45N11O7	827.3504	NA	PeJP	NA	NA
+PJ046014	SSSSSSSSL 	C30H53N9O18	827.3509	NA	PeJP	NA	NA
+PJ046015	ASSSSKMM 	C31H57N9O13S2	827.3517	NA	PeJP	NA	NA
+PJ046016	GSSSTKMM 	C31H57N9O13S2	827.3518	NA	PeJP	NA	NA
+PJ046017	GSNEEHR 	C31H49N13O14	827.3522	NA	PeJP	NA	NA
+PJ046018	GGGGGGSDKH 	C31H49N13O14	827.3523	NA	PeJP	NA	NA
+PJ046019	SLEMYW 	C39H53N7O11S	827.3524	NA	PeJP	NA	NA
+PJ046020	GCKKMMM 	C32H61N9O8S4	827.3526	NA	PeJP	NA	NA
+MJ095660	Foetidine I 	C47H49N5O9	827.353028	NA	MeJP	NA	NA
+PJ046021	CCQRRY 	C32H53N13O9S2	827.3531	NA	PeJP	NA	NA
+PJ046022	AMHHFW 	C40H49N11O7S	827.3538	NA	PeJP	NA	NA
+PJ046023	SSTLEEY 	C35H53N7O16	827.3549	NA	PeJP	NA	NA
+PJ046024	AALEMMY 	C36H57N7O11S2	827.3558	NA	PeJP	NA	NA
+PJ046025	TQQEHW 	C36H49N11O12	827.3562	NA	PeJP	NA	NA
+PJ046026	NDKEHW 	C36H49N11O12	827.3563	NA	PeJP	NA	NA
+PJ046027	NHHHHF 	C37H45N15O8	827.3576	NA	PeJP	NA	NA
+PJ046028	TTTLMMM 	C33H61N7O11S3	827.3591	NA	PeJP	NA	NA
+PJ046029	GSSQMRY 	C33H53N11O12S	827.3596	NA	PeJP	NA	NA
+PJ046030	GGGGGGAAPPM 	C33H53N11O12S	827.3597	NA	PeJP	NA	NA
+PJ046031	PPNEWW 	C41H49N9O10	827.3603	NA	PeJP	NA	NA
+PJ046032	SSNNNHR 	C30H49N15O13	827.3634	NA	PeJP	NA	NA
+PJ046033	GGSSNNHR 	C30H49N15O13	827.3635	NA	PeJP	NA	NA
+PJ046034	SNKMYW 	C38H53N9O10S	827.3636	NA	PeJP	NA	NA
+PJ046035	GGSPPPMW 	C38H53N9O10S	827.3637	NA	PeJP	NA	NA
+PJ046036	GPCCHRR 	C31H53N15O8S2	827.3643	NA	PeJP	NA	NA
+PJ046037	SSSQKEY 	C34H53N9O15	827.3661	NA	PeJP	NA	NA
+PJ046038	VVTDEEH 	C34H53N9O15	827.3662	NA	PeJP	NA	NA
+PJ046039	VEMMRY 	C35H57N9O10S2	827.367	NA	PeJP	NA	NA
+PJ046040	SNEHRW 	C35H49N13O11	827.3675	NA	PeJP	NA	NA
+PJ046041	PCLFYW 	C43H53N7O8S	827.3677	NA	PeJP	NA	NA
+PJ046042	SSSSTTKM 	C31H57N9O15S	827.3695	NA	PeJP	NA	NA
+PJ046043	PKEEYY 	C39H53N7O13	827.3702	NA	PeJP	NA	NA
+PJ046044	STCKKMM 	C32H61N9O10S3	827.3704	NA	PeJP	NA	NA
+PJ046045	SSPNMHR 	C32H53N13O11S	827.3708	NA	PeJP	NA	NA
+PJ046046	GSSCRRY 	C32H53N13O11S	827.3709	NA	PeJP	NA	NA
+PJ046047	VVMMYW 	C40H57N7O8S2	827.371	NA	PeJP	NA	NA
+PJ046048	GDKHWW 	C40H49N11O9	827.3715	NA	PeJP	NA	NA
+MJ095661	4,7,12-Verticillatriene-3,6,7,9,11,14,20-heptol, 11-O-(3S-Dimethylamino-2R-hydroxy-3-phenylpropanoyl), hexa-Ac 	C43H57NO15	827.37282	NA	MeJP	NA	NA
+MJ095662	Aclacinomycin M; 13-Methyl 	C43H57NO15	827.37282	NA	MeJP	NA	NA
+PJ046049	ATTLEMY 	C36H57N7O13S	827.3735	NA	PeJP	NA	NA
+PJ046050	GVLMMMF 	C37H61N7O8S3	827.3744	NA	PeJP	NA	NA
+PJ046051	VQQMHW 	C37H53N11O9S	827.3749	NA	PeJP	NA	NA
+PJ046052	GPPWWW 	C45H49N9O7	827.3755	NA	PeJP	NA	NA
+PJ046053	SSSTQRY 	C33H53N11O14	827.3774	NA	PeJP	NA	NA
+PJ046054	CQKMRY 	C34H57N11O9S2	827.3782	NA	PeJP	NA	NA
+PJ046055	GACKMRY 	C34H57N11O9S2	827.3783	NA	PeJP	NA	NA
+PJ046056	AAQQHHH 	C34H49N15O10	827.3787	NA	PeJP	NA	NA
+PJ046057	CKHFFF 	C42H53N9O7S	827.3789	NA	PeJP	NA	NA
+PJ046058	GSSTKYW 	C38H53N9O12	827.3814	NA	PeJP	NA	NA
+PJ046059	NDMHRR 	C31H53N15O10S	827.3821	NA	PeJP	NA	NA
+PJ046060	PMMFFR 	C39H57N9O7S2	827.3823	NA	PeJP	NA	NA
+PJ046061	GSHRWW 	C39H49N13O8	827.3827	NA	PeJP	NA	NA
+PJ046062	GPPHHHF 	C39H49N13O8	827.3828	NA	PeJP	NA	NA
+PJ046063	GSDKKMY 	C35H57N9O12S	827.3848	NA	PeJP	NA	NA
+PJ046064	SPLYYW 	C43H53N7O10	827.3854	NA	PeJP	NA	NA
+PJ046065	LMMMFR 	C36H61N9O7S3	827.3856	NA	PeJP	NA	NA
+PJ046066	AQMHRW 	C36H53N13O8S	827.3861	NA	PeJP	NA	NA
+PJ046067	GSDKEHR 	C32H53N13O13	827.3886	NA	PeJP	NA	NA
+PJ046068	GGGGGGGGGAPK 	C32H53N13O13	827.3887	NA	PeJP	NA	NA
+PJ046069	AAPLMYY 	C40H57N7O10S	827.3888	NA	PeJP	NA	NA
+PJ046070	CCKRRY 	C33H57N13O8S2	827.3895	NA	PeJP	NA	NA
+PJ046071	NQHHHR 	C33H49N17O9	827.39	NA	PeJP	NA	NA
+PJ046072	TTTTLEY 	C36H57N7O15	827.3913	NA	PeJP	NA	NA
+PJ046073	GTLLMMY 	C37H61N7O10S2	827.3922	NA	PeJP	NA	NA
+PJ046074	GSPPERW 	C37H53N11O11	827.3926	NA	PeJP	NA	NA
+PJ046075	GGGGGPLQW 	C37H53N11O11	827.3927	NA	PeJP	NA	NA
+PJ046076	GSSKMRY 	C34H57N11O11S	827.396	NA	PeJP	NA	NA
+PJ046077	ANKFYW 	C42H53N9O9	827.3966	NA	PeJP	NA	NA
+PJ046078	PPDKWW 	C42H53N9O9	827.3967	NA	PeJP	NA	NA
+PJ046079	ACHRRW 	C35H53N15O7S	827.3974	NA	PeJP	NA	NA
+PJ046080	ASSDHRR 	C31H53N15O12	827.3998	NA	PeJP	NA	NA
+PJ046081	GSSEHRR 	C31H53N15O12	827.3999	NA	PeJP	NA	NA
+PJ046082	TCKKYW 	C39H57N9O9S	827.4	NA	PeJP	NA	NA
+PJ046083	SSSKKEY 	C35H57N9O14	827.4025	NA	PeJP	NA	NA
+PJ046084	GGGGPLLEE 	C35H57N9O14	827.4026	NA	PeJP	NA	NA
+PJ046085	QKKMMY 	C36H61N9O9S2	827.4034	NA	PeJP	NA	NA
+PJ046086	SDKHRW 	C36H53N13O10	827.4039	NA	PeJP	NA	NA
+PJ046087	VVMFFW 	C44H57N7O7S	827.4041	NA	PeJP	NA	NA
+PJ046088	LLQEYY 	C40H57N7O12	827.4065	NA	PeJP	NA	NA
+PJ046089	GSLLEFY 	C40H57N7O12	827.4066	NA	PeJP	NA	NA
+PJ046090	APPCERR 	C33H57N13O10S	827.4072	NA	PeJP	NA	NA
+PJ046091	GPPDMRR 	C33H57N13O10S	827.4073	NA	PeJP	NA	NA
+PJ046092	SPPRWW 	C41H53N11O8	827.4079	NA	PeJP	NA	NA
+PJ046093	STTLLMY 	C37H61N7O12S	827.4099	NA	PeJP	NA	NA
+PJ046094	AAPPMRW 	C38H57N11O8S	827.4113	NA	PeJP	NA	NA
+PJ046095	SSSTKRY 	C34H57N11O13	827.4137	NA	PeJP	NA	NA
+MJ095663	Albuminamide 	C34H57N11O13	827.41373	NA	MeJP	NA	NA
+PJ046096	GPLQEER 	C34H57N11O13	827.4138	NA	PeJP	NA	NA
+PJ046097	CKKMRY 	C35H61N11O8S2	827.4146	NA	PeJP	NA	NA
+PJ046098	SSHRRW 	C35H53N15O9	827.4151	NA	PeJP	NA	NA
+PJ046099	APPTKEW 	C39H57N9O11	827.4178	NA	PeJP	NA	NA
+PJ046100	TQMHRR 	C32H57N15O9S	827.4185	NA	PeJP	NA	NA
+PJ046101	VLHHHW 	C40H53N13O7	827.4191	NA	PeJP	NA	NA
+PJ046102	ASTKKMY 	C36H61N9O11S	827.4211	NA	PeJP	NA	NA
+PJ046103	GTTKKMY 	C36H61N9O11S	827.4212	NA	PeJP	NA	NA
+PJ046104	ALLYYW 	C44H57N7O9	827.4218	NA	PeJP	NA	NA
+PJ046105	AKMHRW 	C37H57N13O7S	827.4225	NA	PeJP	NA	NA
+PJ046106	AAPEERR 	C33H57N13O12	827.425	NA	PeJP	NA	NA
+PJ046107	AALLMFY 	C41H61N7O9S	827.4252	NA	PeJP	NA	NA
+PJ046108	NKHHHR 	C34H53N17O8	827.4263	NA	PeJP	NA	NA
+PJ046109	GGKHHHR 	C34H53N17O8	827.4264	NA	PeJP	NA	NA
+PJ046110	PVLLEEE 	C37H61N7O14	827.4277	NA	PeJP	NA	NA
+PJ046111	PLQERW 	C38H57N11O10	827.429	NA	PeJP	NA	NA
+PJ046112	TCHRRR 	C31H57N17O8S	827.4297	NA	PeJP	NA	NA
+MJ095664	Deltamycin A3 	C41H65NO16	827.430335	NA	MeJP	NA	NA
+PJ046113	APPKEMR 	C35H61N11O10S	827.4324	NA	PeJP	NA	NA
+PJ046114	PVLQWW 	C43H57N9O8	827.433	NA	PeJP	NA	NA
+PJ046115	GGPLLWW 	C43H57N9O8	827.4331	NA	PeJP	NA	NA
+PJ046116	PDERRR 	C32H57N15O11	827.4362	NA	PeJP	NA	NA
+PJ046117	GGGGAPTRR 	C32H57N15O11	827.4363	NA	PeJP	NA	NA
+PJ046118	GPPLKMW 	C40H61N9O8S	827.4364	NA	PeJP	NA	NA
+PJ046119	STTTKKY 	C36H61N9O13	827.4389	NA	PeJP	NA	NA
+PJ046120	KKKMMY 	C37H65N9O8S2	827.4398	NA	PeJP	NA	NA
+PJ046121	PVDRRW 	C37H57N13O9	827.4403	NA	PeJP	NA	NA
+PJ046122	LLKEYY 	C41H61N7O11	827.4429	NA	PeJP	NA	NA
+PJ046123	APPTMRR 	C34H61N13O9S	827.4436	NA	PeJP	NA	NA
+PJ046124	APLRWW 	C42H57N11O7	827.4443	NA	PeJP	NA	NA
+PJ046125	CKKFFR 	C39H61N11O7S	827.4476	NA	PeJP	NA	NA
+PJ046126	VKKMHW 	C39H61N11O7S	827.4477	NA	PeJP	NA	NA
+MJ095665	Spiroprorocentrimine 	C42H69NO13S	827.448961	NA	MeJP	NA	NA
+PJ046127	PPTTKER 	C35H61N11O12	827.4501	NA	PeJP	NA	NA
+PJ046128	GPLKEER 	C35H61N11O12	827.4502	NA	PeJP	NA	NA
+MJ095666	Tubulysin A; 4'-Deoxy 	C43H65N5O9S	827.450299	NA	MeJP	NA	NA
+C15704	Tubulysin D	C43H65N5O9S	827.4503	NA	KEGG	NA	NA
+PJ046129	VNHFRR 	C36H57N15O8	827.4515	NA	PeJP	NA	NA
+PJ046130	GPVLKEW 	C40H61N9O10	827.4542	NA	PeJP	NA	NA
+PJ046131	TKMHRR 	C33H61N15O8S	827.4549	NA	PeJP	NA	NA
+PJ046132	TTLLLMH 	C37H65N9O10S	827.4575	NA	PeJP	NA	NA
+PJ046133	PPVKKEM 	C37H65N9O10S	827.4576	NA	PeJP	NA	NA
+MJ095667	Phakellistatin 1 	C45H61N7O8	827.458161	NA	MeJP	NA	NA
+MJ095668	Phakellistatin 2 	C45H61N7O8	827.458161	NA	MeJP	NA	NA
+PJ046134	AALLFFF 	C45H61N7O8	827.4582	NA	PeJP	NA	NA
+PJ046135	GPTLERR 	C34H61N13O11	827.4614	NA	PeJP	NA	NA
+PJ046136	GHFRRR 	C35H57N17O7	827.4627	NA	PeJP	NA	NA
+PJ046137	PLKERW 	C39H61N11O9	827.4654	NA	PeJP	NA	NA
+C12662	Leucomycin A3	C42H69NO15	827.4667	NA	KEGG	NA	NA
+C12663	Transferred to D01236	C42H69NO15	827.4667	NA	KEGG	NA	NA
+C12664	Transferred to D01237	C42H69NO15	827.4667	NA	KEGG	NA	NA
+C12665	Transferred to D01238	C42H69NO15	827.4667	NA	KEGG	NA	NA
+MJ095669	Espinomycin A2 	C42H69NO15	827.46672	NA	MeJP	NA	NA
+MJ095670	Leucomycin A3 	C42H69NO15	827.46672	NA	MeJP	NA	NA
+MJ095671	Leucomycin A5; 3B-Propanoyl 	C42H69NO15	827.46672	NA	MeJP	NA	NA
+MJ095672	Midecamycin A2 	C42H69NO15	827.46672	NA	MeJP	NA	NA
+PJ046138	SPPLKMR 	C36H65N11O9S	827.4688	NA	PeJP	NA	NA
+PJ046139	PVLKWW 	C44H61N9O7	827.4694	NA	PeJP	NA	NA
+PJ046140	GSPQKRR 	C33H61N15O10	827.4726	NA	PeJP	NA	NA
+PJ046141	KKKMFF 	C41H65N9O7S	827.4728	NA	PeJP	NA	NA
+PJ046142	PVVKKEE 	C37H65N9O12	827.4753	NA	PeJP	NA	NA
+PJ046143	PTLRRW 	C38H61N13O8	827.4766	NA	PeJP	NA	NA
+PJ046144	GPPVFRR 	C38H61N13O8	827.4767	NA	PeJP	NA	NA
+PJ046145	PPLLLEF 	C42H65N7O10	827.4793	NA	PeJP	NA	NA
+PJ046146	GPVLMRR 	C35H65N13O8S	827.48	NA	PeJP	NA	NA
+PJ046147	PLLLLEM 	C39H69N7O10S	827.4827	NA	PeJP	NA	NA
+PJ046148	VNQRRR 	C32H61N17O9	827.4839	NA	PeJP	NA	NA
+PJ046149	SPVLKER 	C36H65N11O11	827.4865	NA	PeJP	NA	NA
+PJ046150	GGALLLER 	C36H65N11O11	827.4866	NA	PeJP	NA	NA
+PJ046151	PPFRRR 	C37H61N15O7	827.4879	NA	PeJP	NA	NA
+PJ046152	APTLLKW 	C41H65N9O9	827.4906	NA	PeJP	NA	NA
+PJ046153	PLMRRR 	C34H65N15O7S	827.4913	NA	PeJP	NA	NA
+PJ046154	PVLLQKM 	C38H69N9O9S	827.4939	NA	PeJP	NA	NA
+PJ046155	GQRRRR 	C31H61N19O8	827.4951	NA	PeJP	NA	NA
+PJ046156	AALLERR 	C35H65N13O10	827.4978	NA	PeJP	NA	NA
+PJ046157	VLLLLEE 	C39H69N7O12	827.5005	NA	PeJP	NA	NA
+PJ046158	LLLQRW 	C40H65N11O8	827.5018	NA	PeJP	NA	NA
+C12216	Mycobactin S	C44H69N5O10	827.5044	NA	KEGG	NA	NA
+MJ095673	Mycobactin; Mycobactin S 	C44H69N5O10	827.504443	NA	MeJP	NA	NA
+PJ046159	APLLKMR 	C37H69N11O8S	827.5052	NA	PeJP	NA	NA
+PJ046160	VLERRR 	C34H65N15O9	827.509	NA	PeJP	NA	NA
+PJ046161	PTLLKKE 	C38H69N9O11	827.5117	NA	PeJP	NA	NA
+PJ046162	VVLRRW 	C39H65N13O7	827.513	NA	PeJP	NA	NA
+PJ046163	PPLLLLY 	C43H69N7O9	827.5157	NA	PeJP	NA	NA
+PJ046164	VNKRRR 	C33H65N17O8	827.5202	NA	PeJP	NA	NA
+PJ046165	GGVKRRR 	C33H65N17O8	827.5203	NA	PeJP	NA	NA
+PJ046166	GLLLKER 	C37H69N11O10	827.5229	NA	PeJP	NA	NA
+PJ046167	GVLLLKW 	C42H69N9O8	827.5269	NA	PeJP	NA	NA
+PJ046168	PVLLKKM 	C39H73N9O8S	827.5303	NA	PeJP	NA	NA
+PJ046169	GKRRRR 	C32H65N19O7	827.5315	NA	PeJP	NA	NA
+PJ046170	GTLLLRR 	C36H69N13O9	827.5342	NA	PeJP	NA	NA
+MJ095674	Apramide G 	C44H73N7O6S	827.534303	NA	MeJP	NA	NA
+PJ046171	LLLKRW 	C41H69N11O7	827.5382	NA	PeJP	NA	NA
+EUR1005	PC 38:6 [M+Na]+	C46H80NO8P	827.544103	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1005	PC 38:6 [M+Na]+	C46H80NO8P	827.544103	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1005	PC 38:6 [M+Na]+	C46H80NO8P	827.544103	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1005	PC 38:6 [M+Na]+	C46H80NO8P	827.544103	masses lipides attendues	Inhousejuil11	NA	NA
+PJ046172	LQKKRR 	C35H69N15O8	827.5454	NA	PeJP	NA	NA
+HMDB08189	PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08222	PC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08253	PC(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08254	PC(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08445	PC(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08478	PC(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08509	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08510	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08667	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08700	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08731	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+HMDB08732	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	C48H78NO8P	827.546509	NA	HMDB2010	NA	NA
+PJ046173	VVLLKKE 	C39H73N9O10	827.5481	NA	PeJP	NA	NA
+PJ046174	PLLLLLF 	C44H73N7O8	827.5521	NA	PeJP	NA	NA
+PJ046175	LLLLLLM 	C41H77N7O8S	827.5555	NA	PeJP	NA	NA
+PJ046176	SVLLLKR 	C38H73N11O9	827.5593	NA	PeJP	NA	NA
+EUR692	PC(36:4) [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR977	PC 36:4 [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR692	PC(36:4) [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR977	PC 36:4 [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR692	PC(36:4) [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR977	PC 36:4 [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR692	PC(36:4) [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	Inhousejuil11	NA	NA
+EUR977	PC 36:4 [M+FA-H]-	C44H80NO8P	827.567037	masses lipides attendues	Inhousejuil11	NA	NA
+PJ046177	GVLKKKR 	C37H73N13O8	827.5705	NA	PeJP	NA	NA
+PJ046178	LKKKRR 	C36H73N15O7	827.5818	NA	PeJP	NA	NA
+PJ046179	TLLLLKK 	C40H77N9O9	827.5845	NA	PeJP	NA	NA
+PJ046180	ALLKKKK 	C39H77N11O8	827.5957	NA	PeJP	NA	NA
+HMDB09047	PE(18:1(11Z)/24:1(15Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09080	PE(18:1(9Z)/24:1(15Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09112	PE(18:2(9Z,12Z)/24:0)	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09239	PE(20:0/22:2(13Z,16Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09271	PE(20:1(11Z)/22:1(13Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09303	PE(20:2(11Z,14Z)/22:0)	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09495	PE(22:0/20:2(11Z,14Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09527	PE(22:1(13Z)/20:1(11Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09559	PE(22:2(13Z,16Z)/20:0)	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09720	PE(24:0/18:2(9Z,12Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09751	PE(24:1(15Z)/18:1(11Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB09752	PE(24:1(15Z)/18:1(9Z))	C47H90NO8P	827.640381	NA	HMDB2010	NA	NA
+HMDB08556	PC(22:0/P-18:1(11Z))	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB08557	PC(22:0/P-18:1(9Z))	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB08587	PC(22:1(13Z)/P-18:0)	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB08817	PC(24:1(15Z)/P-16:0)	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB11231	PC(P-16:0/24:1(15Z))	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB11257	PC(P-18:0/22:1(13Z))	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB11289	PC(P-18:1(11Z)/22:0)	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB11322	PC(P-18:1(9Z)/22:0)	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+HMDB13437	PC(o-18:2(9Z,12Z)/22:0)	C48H94NO7P	827.676819	NA	HMDB2010	NA	NA
+MJ095675	N-2-Hydroxytetracosanoylgalactocerebroside 	C48H93NO9	827.685033	NA	MeJP	NA	NA
+HMDB11699	SM(d19:1/24:1(15Z))	C48H96N2O6P	827.700623	NA	HMDB2010	NA	NA
+MJ095676	Aerothionin; 2''-Oxo 	C24H24Br4N4O9	827.827678	NA	MeJP	NA	NA
+MJ095677	Aerothionin; Homologue 	C25H28Br4N4O8	827.864064	NA	MeJP	NA	NA
+7049	Arginine deiminase (Streptococcus pyogenes)	TAQTPIHVYSEIGKL 	827.9355	MH2+	Inhouse_peptide	NA	peptide
+5419	porcine lactoferrin LFP	SKCRQWSKIRRTNP	827.9589	MH2+	Inhouse_peptide	NA	peptide
+MJ095678	4',5,7-Trihydroxy-3'-methoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(??)-?-D-glucuronopyranosyl-(??)-?-D-glucuronopyranoside] 	C34H36O24	828.159652	NA	MeJP	NA	NA
+FL3FADGS0027	Chrysoeriol 7-(2'''-feruloylglucuronosyl)-(1->2)-glucuronide;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid	C38H36O21	828.1749	380468-53-1	knapsack	NA	NA
+FL3FAIGS0013	Tricin 7-(2''-p-coumaroylglucuronosyl)(1->2)glucronide	C38H36O21	828.1749	-	knapsack	NA	NA
+PJ046181	GTCCCCCH 	C27H44N10O10S5	828.1846	NA	PeJP	NA	NA
+PJ046182	GSCCDDDD 	C27H40N8O18S2	828.1902	NA	PeJP	NA	NA
+PJ046183	GPCCCCDE 	C28H44N8O13S4	828.1911	NA	PeJP	NA	NA
+FL3FACGS0070	Luteolin 7-O-(2-apiofuranosyl-4-glucopyranosyl-6-malonyl)glucopyranoside;7-[[O-D-apio-beta-D-furanosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->4)]-6-O-(carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C35H40O23	828.19603	612844-31-2	knapsack	NA	NA
+MJ095679	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside], 7-O-?-D-glucopyranoside 	C35H41O23(+)	828.196037	NA	MeJP	NA	NA
+PJ046184	SSSCCCCH 	C27H44N10O12S4	828.2023	NA	PeJP	NA	NA
+PJ046185	PCCCCDW 	C32H44N8O10S4	828.2064	NA	PeJP	NA	NA
+PJ046186	CCNDDEM 	C28H44N8O15S3	828.2089	NA	PeJP	NA	NA
+PJ046187	PPTCCCCC 	C29H48N8O10S5	828.2097	NA	PeJP	NA	NA
+MetaCyc04156	uroporphyrin III []	C40H36N4O16	828.212631	18273-06-8	metacyc	NA	NA
+MetaCyc04157	uroporphyrin I [2,7,12,17-porphinetetrapropionic acid;]	C40H36N4O16	828.212631	607-14-7	metacyc	NA	NA
+PJ046188	CCCCNHF 	C31H44N10O9S4	828.2176	NA	PeJP	NA	NA
+PJ046189	CCCDDDR 	C27H44N10O14S3	828.2201	NA	PeJP	NA	NA
+PJ046190	GCCDDMW 	C32H44N8O12S3	828.2241	NA	PeJP	NA	NA
+PJ046191	GSSCDDDM 	C28H44N8O17S2	828.2266	NA	PeJP	NA	NA
+PJ046192	GSPCCCEM 	C29H48N8O12S4	828.2275	NA	PeJP	NA	NA
+MJ095680	Aurantoside C 	C37H46Cl2N2O15	828.227524	NA	MeJP	NA	NA
+MJ095681	Aurantoside E; O-De-Me 	C37H46Cl2N2O15	828.227524	NA	MeJP	NA	NA
+FL5FADGS0032	Isorhamnetin 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside];Quercetin 3'-methyl ether 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside];3-[(O-4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C36H44O22	828.23242	220716-16-5	knapsack	NA	NA
+MJ095682	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-(4-O-Acetyl-?-L-rhamnopyranosyl), 6''-O-?-D-glucopyranosyl 	C36H44O22	828.232423	NA	MeJP	NA	NA
+PJ046193	SCCCNNW 	C31H44N10O11S3	828.2353	NA	PeJP	NA	NA
+PJ046194	GGSCCCNW 	C31H44N10O11S3	828.2354	NA	PeJP	NA	NA
+PJ046195	SSSCCNND 	C27H44N10O16S2	828.2378	NA	PeJP	NA	NA
+PJ046196	GGSSSCCND 	C27H44N10O16S2	828.2379	NA	PeJP	NA	NA
+PJ046197	CCNNNMM 	C28H48N10O11S4	828.2387	NA	PeJP	NA	NA
+PJ046198	CCCEWW 	C36H44N8O9S3	828.2394	NA	PeJP	NA	NA
+PJ046199	SSCCDEW 	C32H44N8O14S2	828.2419	NA	PeJP	NA	NA
+PJ046200	SPCCCMW 	C33H48N8O9S4	828.2427	NA	PeJP	NA	NA
+PJ046201	GPPCCCCF 	C33H48N8O9S4	828.2428	NA	PeJP	NA	NA
+PJ046202	SSSSCDDE 	C28H44N8O19S	828.2444	NA	PeJP	NA	NA
+PJ046203	SCNDEMM 	C29H48N8O14S3	828.2452	NA	PeJP	NA	NA
+PJ046204	GGSCDEMM 	C29H48N8O14S3	828.2453	NA	PeJP	NA	NA
+PJ046205	CCDYYY 	C37H44N6O12S2	828.2459	NA	PeJP	NA	NA
+PJ046206	PCCNMMM 	C30H52N8O9S5	828.2461	NA	PeJP	NA	NA
+PJ046207	CCCCNQR 	C27H48N12O10S4	828.25	NA	PeJP	NA	NA
+PJ046208	CCNNNDF 	C31H44N10O13S2	828.2531	NA	PeJP	NA	NA
+PJ046209	SCCDDMR 	C28H48N10O13S3	828.2565	NA	PeJP	NA	NA
+PJ046210	GNDDDMY 	C32H44N8O16S	828.2596	NA	PeJP	NA	NA
+PJ046211	GSCDMMW 	C33H48N8O11S3	828.2605	NA	PeJP	NA	NA
+PJ046212	GSSSDDMM 	C29H48N8O16S2	828.263	NA	PeJP	NA	NA
+PJ046213	GNDMMMM 	C30H52N8O11S4	828.2639	NA	PeJP	NA	NA
+PJ046214	SCCNEHH 	C30H44N12O12S2	828.2643	NA	PeJP	NA	NA
+PJ046215	GGSCCEHH 	C30H44N12O12S2	828.2644	NA	PeJP	NA	NA
+PJ046216	CCMFYY 	C38H48N6O9S3	828.2645	NA	PeJP	NA	NA
+PJ046217	GSSCCCNR 	C27H48N12O12S3	828.2677	NA	PeJP	NA	NA
+MJ095683	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?3)-[3,4-dihydroxy-E-cinnamoyl-(?4)]-2-O-acetyl-?-D-glucopyranoside] 	C37H48O21	828.268808	NA	MeJP	NA	NA
+MJ095684	Purpureaside C; 2-Ac 	C37H48O21	828.268808	NA	MeJP	NA	NA
+PJ046218	SCNNNDY 	C31H44N10O15S	828.2709	NA	PeJP	NA	NA
+PJ046219	SSSSCNNM 	C28H48N10O15S2	828.2742	NA	PeJP	NA	NA
+HMDB03255	Amylopectin	C30H52O26	828.274658	NA	HMDB2010	NA	NA
+HMDB12254	Maltopentaose	C30H52O26	828.274658	NA	HMDB2010	NA	NA
+HMDB03255	Amylopectin	C30H52O26	828.27466	http://www.hmdb.ca/metabolites/HMDB03255	HMDB	NA	NA
+HMDB03255	Amylopectin	C30H52O26	828.27466	HMDB03255	PFEM_hmdb_metabocards_official	NA	NA
+MJ095685	Cellopentaose 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095686	?-D-Fructofuranosyl-(2?1)-?-D-fructofuranosyl ?-D-fructofuranosyl-(2?1)-?-D-fructofuranosyl-(2?6)-?-D-glucopyranoside 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095687	Cellopentaose 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095688	Kefirose 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095689	Maltopentaose 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095690	Melezitose; 4',4''-Di-O-?-D-glucopyranosyl 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095691	Saponarose 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MJ095692	Verbascose 	C30H52O26	828.274681	NA	MeJP	NA	NA
+MetaCyc04158	maltopentaose []	C30H52O26	828.274682	NA	metacyc	NA	NA
+C00317	Amylopectin	C30H52O26	828.2747	NA	KEGG	NA	NA
+C06218	Cellopentaose	C30H52O26	828.2747	NA	KEGG	NA	NA
+C08252	beta-D-Fructofuranosyl	C30H52O26	828.2747	NA	KEGG	NA	NA
+C08253	Fucoidan	C30H52O26	828.2747	NA	KEGG	NA	NA
+PJ046220	CNDEYW 	C36H44N8O13S	828.2749	NA	PeJP	NA	NA
+PJ046221	GCCEMMR 	C29H52N10O10S4	828.2751	NA	PeJP	NA	NA
+PJ046222	TCCMWW 	C37H48N8O8S3	828.2758	NA	PeJP	NA	NA
+PJ046223	SSNDDEY 	C32H44N8O18	828.2774	NA	PeJP	NA	NA
+PJ046224	STTCCEW 	C33H48N8O13S2	828.2782	NA	PeJP	NA	NA
+PJ046225	SSSCEMW 	C33H48N8O13S2	828.2783	NA	PeJP	NA	NA
+PJ046226	CQMMMW 	C34H52N8O8S4	828.2791	NA	PeJP	NA	NA
+PJ046227	GSCCHHW 	C34H44N12O9S2	828.2796	NA	PeJP	NA	NA
+PJ046228	SSSSSDEM 	C29H48N8O18S	828.2807	NA	PeJP	NA	NA
+PJ046229	SSSSTDDM 	C29H48N8O18S	828.2808	NA	PeJP	NA	NA
+PJ046230	SSNEMMM 	C30H52N8O13S3	828.2816	NA	PeJP	NA	NA
+PJ046231	GSSSCDHH 	C30H44N12O14S	828.2821	NA	PeJP	NA	NA
+PJ046232	SCMYYY 	C38H48N6O11S2	828.2823	NA	PeJP	NA	NA
+PJ046233	GCNMMHH 	C31H48N12O9S3	828.283	NA	PeJP	NA	NA
+PJ046234	EEEEMY 	C34H48N6O16S	828.2848	NA	PeJP	NA	NA
+PJ046235	GPCDDHW 	C35H44N10O12S	828.2861	NA	PeJP	NA	NA
+PJ046236	CCCCNKR 	C28H52N12O9S4	828.2863	NA	PeJP	NA	NA
+PJ046237	GGCCCCKR 	C28H52N12O9S4	828.2864	NA	PeJP	NA	NA
+PJ046238	GNDEEEH 	C31H44N10O17	828.2886	NA	PeJP	NA	NA
+PJ046239	GCNNQMY 	C32H48N10O12S2	828.2895	NA	PeJP	NA	NA
+PJ046240	GCDYWW 	C40H44N8O10S	828.2901	NA	PeJP	NA	NA
+PJ046241	CCMMRW 	C33H52N10O7S4	828.2904	NA	PeJP	NA	NA
+PJ046242	GSSSSSSCQ 	C28H48N10O17S	828.292	NA	PeJP	NA	NA
+PJ046243	GSSDDYW 	C36H44N8O15	828.2926	NA	PeJP	NA	NA
+PJ046244	GNDDDFF 	C36H44N8O15	828.2927	NA	PeJP	NA	NA
+PJ046245	SSCDMMR 	C29H52N10O12S3	828.2929	NA	PeJP	NA	NA
+PJ046246	CNNNNNH 	C29H44N14O13S	828.2933	NA	PeJP	NA	NA
+PJ046247	GGGGGGCNNH 	C29H44N14O13S	828.2934	NA	PeJP	NA	NA
+PJ046248	GPTCCYW 	C37H48N8O10S2	828.2935	NA	PeJP	NA	NA
+PJ046249	ACCCHHR 	C30H48N14O8S3	828.2942	NA	PeJP	NA	NA
+PJ046250	GSNEEMY 	C33H48N8O15S	828.296	NA	PeJP	NA	NA
+PJ046251	GSSMMMW 	C34H52N8O10S3	828.2969	NA	PeJP	NA	NA
+PJ046252	GCNDHHF 	C34H44N12O11S	828.2974	NA	PeJP	NA	NA
+PJ046253	CCFFFY 	C42H48N6O8S2	828.2975	NA	PeJP	NA	NA
+PJ046254	GSSSTEMM 	C30H52N8O15S2	828.2994	NA	PeJP	NA	NA
+PJ046255	GDDDDHR 	C30H44N12O16	828.2999	NA	PeJP	NA	NA
+PJ046256	ASQMMMM 	C31H56N8O10S4	828.3002	NA	PeJP	NA	NA
+PJ046257	GTQMMMM 	C31H56N8O10S4	828.3003	NA	PeJP	NA	NA
+PJ046258	GCCNNRY 	C31H48N12O11S2	828.3007	NA	PeJP	NA	NA
+PJ046259	GGGGGGPCMH 	C31H48N12O11S2	828.3008	NA	PeJP	NA	NA
+PJ046260	NDEEHW 	C35H44N10O14	828.3039	NA	PeJP	NA	NA
+PJ046261	SPPCCHW 	C36H48N10O9S2	828.3047	NA	PeJP	NA	NA
+PJ046262	CCDFRW 	C36H48N10O9S2	828.3048	NA	PeJP	NA	NA
+PJ046263	SSNNNMY 	C32H48N10O14S	828.3072	NA	PeJP	NA	NA
+PJ046264	GSCDERY 	C32H48N10O14S	828.3073	NA	PeJP	NA	NA
+PJ046265	GPCCMRY 	C33H52N10O9S3	828.3081	NA	PeJP	NA	NA
+PJ046266	GCMFWW 	C41H48N8O7S2	828.3088	NA	PeJP	NA	NA
+PJ046267	SSSSSSSSN 	C28H48N10O19	828.3097	NA	PeJP	NA	NA
+PJ046268	SSSSCCQK 	C29H52N10O14S2	828.3106	NA	PeJP	NA	NA
+PJ046269	SNEMYW 	C37H48N8O12S	828.3113	NA	PeJP	NA	NA
+PJ046270	GTCMMMR 	C30H56N10O9S4	828.3115	NA	PeJP	NA	NA
+PJ046271	SSCCHHR 	C30H48N14O10S2	828.312	NA	PeJP	NA	NA
+PJ046272	SSSQEEY 	C33H48N8O17	828.3138	NA	PeJP	NA	NA
+PJ046273	SSSTMMW 	C34H52N8O12S2	828.3146	NA	PeJP	NA	NA
+PJ046274	GGAAEMMY 	C34H52N8O12S2	828.3147	NA	PeJP	NA	NA
+PJ046275	GSNNDHW 	C34H44N12O13	828.3151	NA	PeJP	NA	NA
+PJ046276	ACFYYY 	C42H48N6O10S	828.3153	NA	PeJP	NA	NA
+PJ046277	CKMMMW 	C35H56N8O7S4	828.3155	NA	PeJP	NA	NA
+PJ046278	SSSSTTEM 	C30H52N8O17S	828.3171	NA	PeJP	NA	NA
+PJ046279	PEEEYY 	C38H48N6O15	828.3178	NA	PeJP	NA	NA
+PJ046280	SSDKMMM 	C31H56N8O12S3	828.318	NA	PeJP	NA	NA
+PJ046281	SPCDDHR 	C31H48N12O13S	828.3185	NA	PeJP	NA	NA
+PJ046282	GDEHWW 	C39H44N10O11	828.3191	NA	PeJP	NA	NA
+PJ046283	ACCKMHH 	C32H52N12O8S3	828.3194	NA	PeJP	NA	NA
+MJ095693	Terracinolide A; 7-Deacyl, 7-propanoyl 	C42H52O17	828.32045	NA	MeJP	NA	NA
+PJ046284	SCDRYW 	C36H48N10O11S	828.3225	NA	PeJP	NA	NA
+PJ046285	SSSDDRY 	C32H48N10O16	828.325	NA	PeJP	NA	NA
+PJ046286	NDMMRY 	C33H52N10O11S2	828.3259	NA	PeJP	NA	NA
+PJ046287	GSMYWW 	C41H48N8O9S	828.3265	NA	PeJP	NA	NA
+PJ046288	MMHHHH 	C34H48N14O7S2	828.3272	NA	PeJP	NA	NA
+PJ046289	GSSSSSSCK 	C29H52N10O16S	828.3284	NA	PeJP	NA	NA
+PJ046290	GSSTEYW 	C37H48N8O14	828.329	NA	PeJP	NA	NA
+PJ046291	SSSMMMR 	C30H56N10O11S3	828.3292	NA	PeJP	NA	NA
+PJ046292	GSTCCCKK 	C30H56N10O11S3	828.3293	NA	PeJP	NA	NA
+PJ046293	GCNNEHR 	C30H48N14O12S	828.3297	NA	PeJP	NA	NA
+PJ046294	AQMMYW 	C38H52N8O9S2	828.3299	NA	PeJP	NA	NA
+PJ046295	GSDKEMY 	C34H52N8O14S	828.3324	NA	PeJP	NA	NA
+PJ046296	GTYYYY 	C42H48N6O12	828.333	NA	PeJP	NA	NA
+PJ046297	GPCKMMY 	C35H56N8O9S3	828.3333	NA	PeJP	NA	NA
+PJ046298	NNQMHW 	C35H48N12O10S	828.3337	NA	PeJP	NA	NA
+PJ046299	GGGGQMHW 	C35H48N12O10S	828.3338	NA	PeJP	NA	NA
+PJ046300	DHWWW 	C43H44N10O8	828.3344	NA	PeJP	NA	NA
+PJ046301	SSSSSLMM 	C31H56N8O14S2	828.3358	NA	PeJP	NA	NA
+PJ046302	GSDEEHR 	C31H48N12O15	828.3362	NA	PeJP	NA	NA
+PJ046303	GGGGSTQEH 	C31H48N12O15	828.3363	NA	PeJP	NA	NA
+PJ046304	GTKMMMM 	C32H60N8O9S4	828.3366	NA	PeJP	NA	NA
+PJ046305	CCERRY 	C32H52N12O10S2	828.3371	NA	PeJP	NA	NA
+PJ046306	GNNNHHH 	C32H44N16O11	828.3376	NA	PeJP	NA	NA
+PJ046307	PTCHWW 	C40H48N10O8S	828.3378	NA	PeJP	NA	NA
+PJ046308	NNQQYY 	C36H48N10O13	828.3402	NA	PeJP	NA	NA
+PJ046309	TQEEHW 	C36H48N10O13	828.3403	NA	PeJP	NA	NA
+PJ046310	ACMRYW 	C37H52N10O8S2	828.3411	NA	PeJP	NA	NA
+PJ046311	DHHHHF 	C37H44N14O9	828.3416	NA	PeJP	NA	NA
+PJ046312	GSSEMRY 	C33H52N10O13S	828.3436	NA	PeJP	NA	NA
+PJ046313	GGGLEEMH 	C33H52N10O13S	828.3437	NA	PeJP	NA	NA
+PJ046314	SSTYWW 	C41H48N8O11	828.3443	NA	PeJP	NA	NA
+PJ046315	NMMMFR 	C34H56N10O8S3	828.3445	NA	PeJP	NA	NA
+PJ046316	CNNHRW 	C34H48N14O9S	828.345	NA	PeJP	NA	NA
+PJ046317	SSSSCCKK 	C30H56N10O13S2	828.347	NA	PeJP	NA	NA
+PJ046318	SSNNDHR 	C30H48N14O14	828.3475	NA	PeJP	NA	NA
+PJ046319	SDKMYW 	C38H52N8O11S	828.3476	NA	PeJP	NA	NA
+PJ046320	GSSVMYW 	C38H52N8O11S	828.3477	NA	PeJP	NA	NA
+PJ046321	SSSKEEY 	C34H52N8O16	828.3501	NA	PeJP	NA	NA
+PJ046322	GSSSSLEY 	C34H52N8O16	828.3502	NA	PeJP	NA	NA
+PJ046323	QKEMMY 	C35H56N8O11S2	828.351	NA	PeJP	NA	NA
+PJ046324	SDEHRW 	C35H48N12O12	828.3515	NA	PeJP	NA	NA
+PJ046325	PCMHRW 	C36H52N12O7S2	828.3524	NA	PeJP	NA	NA
+PJ046326	SSTTTTTM 	C31H56N8O16S	828.3535	NA	PeJP	NA	NA
+PJ046327	LEEEFY 	C39H52N6O14	828.3542	NA	PeJP	NA	NA
+PJ046328	STTKMMM 	C32H60N8O11S3	828.3544	NA	PeJP	NA	NA
+PJ046329	QEEMHR 	C32H52N12O12S	828.3549	NA	PeJP	NA	NA
+PJ046330	ATEHWW 	C40H48N10O10	828.3555	NA	PeJP	NA	NA
+MJ095694	Amicenomycin A 	C43H56O16	828.356835	NA	MeJP	NA	NA
+MJ095695	Amicenomycin B 	C43H56O16	828.356835	NA	MeJP	NA	NA
+MJ095696	Antibiotic BA 12100Z1 	C43H56O16	828.356835	NA	MeJP	NA	NA
+PJ046331	SSMRYW 	C37H52N10O10S	828.3589	NA	PeJP	NA	NA
+PJ046332	QFYWW 	C45H48N8O8	828.3595	NA	PeJP	NA	NA
+PJ046333	SSSTERY 	C33H52N10O15	828.3614	NA	PeJP	NA	NA
+PJ046334	TQMMRY 	C34H56N10O10S2	828.3623	NA	PeJP	NA	NA
+PJ046335	AAQEHHH 	C34H48N14O11	828.3627	NA	PeJP	NA	NA
+PJ046336	GGGVEHHH 	C34H48N14O11	828.3628	NA	PeJP	NA	NA
+PJ046337	AQMFFW 	C42H52N8O8S	828.3629	NA	PeJP	NA	NA
+PJ046338	SSSSLYW 	C38H52N8O13	828.3654	NA	PeJP	NA	NA
+PJ046339	DDMHRR 	C31H52N14O11S	828.3661	NA	PeJP	NA	NA
+PJ046340	AKMMYW 	C39H56N8O8S2	828.3663	NA	PeJP	NA	NA
+PJ046341	NQHHFF 	C39H48N12O9	828.3668	NA	PeJP	NA	NA
+PJ046342	GTTKEMY 	C35H56N8O13S	828.3688	NA	PeJP	NA	NA
+MJ095697	RA-X 	C43H52N6O11	828.369406	NA	MeJP	NA	NA
+PJ046343	AAKMMMF 	C36H60N8O8S3	828.3697	NA	PeJP	NA	NA
+PJ046344	AEMHRW 	C36H52N12O9S	828.3701	NA	PeJP	NA	NA
+PJ046345	GPHFWW 	C44H48N10O7	828.3708	NA	PeJP	NA	NA
+PJ046346	GTTEEHR 	C32H52N12O14	828.3726	NA	PeJP	NA	NA
+PJ046347	GGGGGGPNKE 	C32H52N12O14	828.3727	NA	PeJP	NA	NA
+PJ046348	TCMRRY 	C33H56N12O9S2	828.3735	NA	PeJP	NA	NA
+PJ046349	NEHHHR 	C33H48N16O10	828.374	NA	PeJP	NA	NA
+PJ046350	GLMHWW 	C41H52N10O7S	828.3742	NA	PeJP	NA	NA
+PJ046351	GSTLEHW 	C37H52N10O12	828.3766	NA	PeJP	NA	NA
+PJ046352	TKEEHW 	C37H52N10O12	828.3767	NA	PeJP	NA	NA
+PJ046353	GSCNHRR 	C30H52N16O10S	828.3773	NA	PeJP	NA	NA
+PJ046354	GGGSCHRR 	C30H52N16O10S	828.3774	NA	PeJP	NA	NA
+PJ046355	PKMMHW 	C38H56N10O7S2	828.3775	NA	PeJP	NA	NA
+MJ095698	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C40H60O18	828.377965	NA	MeJP	NA	NA
+PJ046356	VNHHHW 	C38H48N14O8	828.378	NA	PeJP	NA	NA
+PJ046357	GTTTMRY 	C34H56N10O12S	828.38	NA	PeJP	NA	NA
+PJ046358	GLQYYW 	C42H52N8O10	828.3807	NA	PeJP	NA	NA
+PJ046359	APCKHHH 	C35H52N14O8S	828.3814	NA	PeJP	NA	NA
+PJ046360	SSSQQHR 	C31H52N14O13	828.3838	NA	PeJP	NA	NA
+PJ046361	GPNDDRR 	C31H52N14O13	828.3839	NA	PeJP	NA	NA
+PJ046362	TTKMYW 	C39H56N8O10S	828.384	NA	PeJP	NA	NA
+PJ046363	PPVVCEW 	C39H56N8O10S	828.3841	NA	PeJP	NA	NA
+PJ046364	STTTKEY 	C35H56N8O15	828.3865	NA	PeJP	NA	NA
+PJ046365	GGPVLEEE 	C35H56N8O15	828.3866	NA	PeJP	NA	NA
+PJ046366	KKEMMY 	C36H60N8O10S2	828.3874	NA	PeJP	NA	NA
+PJ046367	TTEHRW 	C36H52N12O11	828.3879	NA	PeJP	NA	NA
+PJ046368	GHHHRW 	C37H48N16O7	828.3892	NA	PeJP	NA	NA
+PJ046369	LLEEYY 	C40H56N6O13	828.3906	NA	PeJP	NA	NA
+PJ046370	SPTTMHR 	C33H56N12O11S	828.3912	NA	PeJP	NA	NA
+PJ046371	KEEMHR 	C33H56N12O11S	828.3913	NA	PeJP	NA	NA
+PJ046372	STLHWW 	C41H52N10O9	828.3919	NA	PeJP	NA	NA
+PJ046373	VKEMHW 	C38H56N10O9S	828.3953	NA	PeJP	NA	NA
+PJ046374	KFYWW 	C46H52N8O7	828.3959	NA	PeJP	NA	NA
+PJ046375	STTTTRY 	C34H56N10O14	828.3978	NA	PeJP	NA	NA
+PJ046376	TKMMRY 	C35H60N10O9S2	828.3986	NA	PeJP	NA	NA
+PJ046377	GCCKKKY 	C35H60N10O9S2	828.3987	NA	PeJP	NA	NA
+PJ046378	NQQHFR 	C35H52N14O10	828.3991	NA	PeJP	NA	NA
+PJ046379	PPLMWW 	C43H56N8O7S	828.3993	NA	PeJP	NA	NA
+PJ046380	GPVLEEW 	C39H56N8O12	828.4018	NA	PeJP	NA	NA
+PJ046381	TEMHRR 	C32H56N14O10S	828.4025	NA	PeJP	NA	NA
+PJ046382	GPQRWW 	C40H52N12O8	828.4031	NA	PeJP	NA	NA
+PJ046383	GGAPRWW 	C40H52N12O8	828.4032	NA	PeJP	NA	NA
+PJ046384	SSTLKMY 	C36H60N8O12S	828.4052	NA	PeJP	NA	NA
+PJ046385	SLMHRW 	C37H56N12O8S	828.4065	NA	PeJP	NA	NA
+PJ046386	SSTLEHR 	C33H56N12O13	828.409	NA	PeJP	NA	NA
+PJ046387	GGGGGGGGGALL 	C33H56N12O13	828.4091	NA	PeJP	NA	NA
+PJ046388	AALMMHR 	C34H60N12O8S2	828.4099	NA	PeJP	NA	NA
+PJ046389	DKHHHR 	C34H52N16O9	828.4104	NA	PeJP	NA	NA
+PJ046390	PLEERW 	C38H56N10O11	828.413	NA	PeJP	NA	NA
+PJ046391	GGGPLDKW 	C38H56N10O11	828.4131	NA	PeJP	NA	NA
+MJ095699	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C41H64O17	828.41435	NA	MeJP	NA	NA
+MJ095700	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Apiofuranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C41H64O17	828.41435	NA	MeJP	NA	NA
+PJ046392	PPHHRW 	C39H52N14O7	828.4144	NA	PeJP	NA	NA
+PJ046393	SPPLEMR 	C35H60N10O11S	828.4164	NA	PeJP	NA	NA
+PJ046394	SVKFYW 	C43H56N8O9	828.417	NA	PeJP	NA	NA
+PJ046395	PVLEWW 	C43H56N8O9	828.4171	NA	PeJP	NA	NA
+PJ046396	GSPQERR 	C32H56N14O12	828.4202	NA	PeJP	NA	NA
+PJ046397	GGGPTERR 	C32H56N14O12	828.4203	NA	PeJP	NA	NA
+PJ046398	SPPVLMW 	C40H60N8O9S	828.4204	NA	PeJP	NA	NA
+PJ046399	VMMHRR 	C33H60N14O7S2	828.4211	NA	PeJP	NA	NA
+PJ046400	SHHHRR 	C33H52N18O8	828.4216	NA	PeJP	NA	NA
+PJ046401	PVVKEEE 	C36H60N8O14	828.4229	NA	PeJP	NA	NA
+PJ046402	PPLLQMM 	C37H64N8O9S2	828.4238	NA	PeJP	NA	NA
+PJ046403	PNKERW 	C37H56N12O10	828.4243	NA	PeJP	NA	NA
+PJ046404	ATTLMHR 	C34H60N12O10S	828.4276	NA	PeJP	NA	NA
+PJ046405	GGSPPKMR 	C34H60N12O10S	828.4277	NA	PeJP	NA	NA
+PJ046406	PVNKWW 	C42H56N10O8	828.4283	NA	PeJP	NA	NA
+PJ046407	NQQQRR 	C31H56N16O11	828.4315	NA	PeJP	NA	NA
+PJ046408	APPCKKW 	C39H60N10O8S	828.4317	NA	PeJP	NA	NA
+PJ046409	SPVLEER 	C35H60N10O13	828.4342	NA	PeJP	NA	NA
+PJ046410	PPVVMMR 	C36H64N10O8S2	828.435	NA	PeJP	NA	NA
+PJ046411	SPQRRW 	C36H56N14O9	828.4355	NA	PeJP	NA	NA
+PJ046412	APTLLEW 	C40H60N8O11	828.4382	NA	PeJP	NA	NA
+PJ046413	AAPQMRR 	C33H60N14O9S	828.4389	NA	PeJP	NA	NA
+PJ046414	GPKRWW 	C41H56N12O7	828.4395	NA	PeJP	NA	NA
+PJ046415	PVLLQEM 	C37H64N8O11S	828.4416	NA	PeJP	NA	NA
+PJ046416	NNNRRR 	C30H56N18O10	828.4427	NA	PeJP	NA	NA
+PJ046417	CKKKHW 	C38H60N12O7S	828.4429	NA	PeJP	NA	NA
+PJ046418	TTTTLHR 	C34H60N12O12	828.4454	NA	PeJP	NA	NA
+PJ046419	AAPKKEW 	C39H60N10O10	828.4494	NA	PeJP	NA	NA
+PJ046420	PNMRRR 	C32H60N16O8S	828.4501	NA	PeJP	NA	NA
+MJ095701	1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095702	12-Oleanene-3,15,16,22,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095703	12-Oleanene-3,16,22,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095704	12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095705	12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095706	2,3,19,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095707	2,3,19,23-Tetrahydroxy-12-ursen-28-oic acid, 3-O-?-D-Glucopyranoside, ?-D-glucopyranosyl ester 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095708	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 21-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095709	2,3,6,16,23-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-L-rhamnopyranosyl ester 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095710	3,22,23-Trihydroxy-24-methyl-30-nor-8-lanosten-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095711	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[3-O-Methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H68O16	828.450736	NA	MeJP	NA	NA
+MJ095712	Cucurbitacin U; 3-O-?-D-Gentiobioside 	C42H68O16	828.450736	NA	MeJP	NA	NA
+PJ046421	APLLEMR 	C36H64N10O10S	828.4528	NA	PeJP	NA	NA
+PJ046422	APPVLFW 	C44H60N8O8	828.4534	NA	PeJP	NA	NA
+PJ046423	GPPLLFW 	C44H60N8O8	828.4535	NA	PeJP	NA	NA
+PJ046424	GSPKERR 	C33H60N14O11	828.4566	NA	PeJP	NA	NA
+PJ046425	GGAALERR 	C33H60N14O11	828.4567	NA	PeJP	NA	NA
+PJ046426	GPLLLMW 	C41H64N8O8S	828.4568	NA	PeJP	NA	NA
+PJ046427	PTLLKEE 	C37H64N8O13	828.4593	NA	PeJP	NA	NA
+PJ046428	PPLLKMM 	C38H68N8O8S2	828.4602	NA	PeJP	NA	NA
+PJ046429	PDKKRW 	C38H60N12O9	828.4607	NA	PeJP	NA	NA
+PJ046430	GPLQKMR 	C35H64N12O9S	828.464	NA	PeJP	NA	NA
+PJ046431	VLKHFW 	C43H60N10O7	828.4647	NA	PeJP	NA	NA
+PJ046432	VNERRR 	C32H60N16O10	828.4679	NA	PeJP	NA	NA
+PJ046433	PTTLLER 	C36H64N10O12	828.4705	NA	PeJP	NA	NA
+PJ046434	GLLLEER 	C36H64N10O12	828.4706	NA	PeJP	NA	NA
+PJ046435	SPKRRW 	C37H60N14O8	828.4719	NA	PeJP	NA	NA
+PJ046436	GVLLLEW 	C41H64N8O10	828.4746	NA	PeJP	NA	NA
+PJ046437	AAPKMRR 	C34H64N14O8S	828.4753	NA	PeJP	NA	NA
+PJ046438	PVLLKEM 	C38H68N8O10S	828.4779	NA	PeJP	NA	NA
+PJ046439	PLLLDKM 	C38H68N8O10S	828.478	NA	PeJP	NA	NA
+PJ046440	GERRRR 	C31H60N18O9	828.4791	NA	PeJP	NA	NA
+PJ046441	APTKKER 	C35H64N12O11	828.4818	NA	PeJP	NA	NA
+PJ046442	GVRRRW 	C36H60N16O7	828.4831	NA	PeJP	NA	NA
+PJ046443	LLLERW 	C40H64N10O9	828.4858	NA	PeJP	NA	NA
+MJ095713	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C43H72O15	828.487121	NA	MeJP	NA	NA
+MJ095714	Cycloartane-3,6,16,24,25-pentol, 3-O-(4-O-Acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C43H72O15	828.487121	NA	MeJP	NA	NA
+MJ095715	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6-O-(6-O-acetyl-?-D-glucopyranoside) 	C43H72O15	828.487121	NA	MeJP	NA	NA
+MJ095716	Cycloartane-3,6,16,24,25-pentol, 3-O-[2-O-Acetyl-?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C43H72O15	828.487121	NA	MeJP	NA	NA
+PJ046444	SPLLLMR 	C37H68N10O9S	828.4892	NA	PeJP	NA	NA
+PJ046445	VLLLWW 	C45H64N8O7	828.4898	NA	PeJP	NA	NA
+C13885	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol	C40H78O13P2	828.4918	NA	KEGG	NA	NA
+C13886	Transferred to D02153	C40H78O13P2	828.4918	NA	KEGG	NA	NA
+C13887	Transferred to D02154	C40H78O13P2	828.4918	NA	KEGG	NA	NA
+PJ046446	LQKERR 	C34H64N14O10	828.493	NA	PeJP	NA	NA
+PJ046447	RRRRW 	C35H60N18O6	828.4944	NA	PeJP	NA	NA
+PJ046448	VVLLKEE 	C38H68N8O12	828.4957	NA	PeJP	NA	NA
+PJ046449	VLQKRW 	C39H64N12O8	828.497	NA	PeJP	NA	NA
+PJ046450	GPLKKMR 	C36H68N12O8S	828.5004	NA	PeJP	NA	NA
+MJ095717	12-Oleanene-3,16,21,22,28-pentol, 28-Ac, 21-(3,4-di-O-angeloyl-?-L-arabinopyranoside) 	C47H72O12	828.502377	NA	MeJP	NA	NA
+MJ095718	Osirisyne A; 6-Hydroxy, 19-deoxo, 21-oxo 	C47H72O12	828.502377	NA	MeJP	NA	NA
+PJ046451	VDKRRR 	C33H64N16O9	828.5043	NA	PeJP	NA	NA
+PJ046452	SVLLLER 	C37H68N10O11	828.5069	NA	PeJP	NA	NA
+PJ046453	GAALLKKE 	C37H68N10O11	828.507	NA	PeJP	NA	NA
+PJ046454	ALKRRW 	C38H64N14O7	828.5083	NA	PeJP	NA	NA
+PJ046455	ATLLLLW 	C42H68N8O9	828.511	NA	PeJP	NA	NA
+PJ046456	VLLLLQM 	C39H72N8O9S	828.5143	NA	PeJP	NA	NA
+PJ046457	SVRRRR 	C32H64N18O8	828.5155	NA	PeJP	NA	NA
+PJ046458	GVLKKER 	C36H68N12O10	828.5182	NA	PeJP	NA	NA
+PJ046459	AALLKKW 	C41H68N10O8	828.5222	NA	PeJP	NA	NA
+MJ095719	Lonomycin A 	C44H76O14	828.523507	NA	MeJP	NA	NA
+MJ095720	Portmicin 	C44H76O14	828.523507	NA	MeJP	NA	NA
+PJ046460	ALLLLMR 	C38H72N10O8S	828.5256	NA	PeJP	NA	NA
+PJ046461	LKKERR 	C35H68N14O9	828.5294	NA	PeJP	NA	NA
+MJ095721	Enterococcus faecalis Sex pheromone inhibitor iPD1 	C39H72N8O11	828.532055	NA	MeJP	NA	NA
+PJ046462	TLLLLKE 	C39H72N8O11	828.5321	NA	PeJP	NA	NA
+PJ046463	VLKKRW 	C40H68N12O7	828.5334	NA	PeJP	NA	NA
+MJ095722	Foromacidin A; 18-Deoxo 	C43H76N2O13	828.53474	NA	MeJP	NA	NA
+PJ046464	TLKRRR 	C34H68N16O8	828.5406	NA	PeJP	NA	NA
+PJ046465	TTLLLLR 	C38H72N10O10	828.5433	NA	PeJP	NA	NA
+PJ046466	PVLLLKF 	C43H72N8O8	828.5473	NA	PeJP	NA	NA
+PJ046467	VLLLLKM 	C40H76N8O8S	828.5507	NA	PeJP	NA	NA
+PJ046468	ATLLKKR 	C37H72N12O9	828.5546	NA	PeJP	NA	NA
+PJ046469	AAKKKKR 	C36H72N14O8	828.5658	NA	PeJP	NA	NA
+PJ046470	SLLLKKK 	C39H76N10O9	828.5797	NA	PeJP	NA	NA
+PJ046471	AVKKKKK 	C38H76N12O8	828.5909	NA	PeJP	NA	NA
+PJ046472	GLKKKKK 	C38H76N12O8	828.591	NA	PeJP	NA	NA
+EUR1112	SM(d18:1/22:3) [M+FA-H]-	C45H87N2O6P	828.635056	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1112	SM(d18:1/22:3) [M+FA-H]-	C45H87N2O6P	828.635056	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1112	SM(d18:1/22:3) [M+FA-H]-	C45H87N2O6P	828.635056	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1112	SM(d18:1/22:3) [M+FA-H]-	C45H87N2O6P	828.635056	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB13469	SM(d18:0/24:1(15Z)(OH))	C47H93N2O7P	828.672058	NA	HMDB2010	NA	NA
+MJ095723	Stigmast-5-en-3-ol, O-(3-O-Heptadecanoyl-?-D-glucopyranoside) 	C52H92O7	828.684305	NA	MeJP	NA	NA
+MJ095724	Solamin; 15-(9-Octadecenoyl)(Z-) 	C53H96O6	828.72069	NA	MeJP	NA	NA
+HMDB05379	TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]	C53H96O6	828.7207	http://www.hmdb.ca/metabolites/HMDB05379	HMDB	NA	NA
+HMDB05433	TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3]	C53H96O6	828.7207	http://www.hmdb.ca/metabolites/HMDB05433	HMDB	NA	NA
+HMDB05379	TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]	C53H96O6	828.7207	HMDB05379	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05433	TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3]	C53H96O6	828.7207	HMDB05433	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05379	TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]	C53H96O6	828.720703	NA	HMDB2010	NA	NA
+HMDB05433	TG(16:1(9Z)/16:1(9Z)/18:1(9Z))[iso3]	C53H96O6	828.720703	NA	HMDB2010	NA	NA
+HMDB10417	TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3]	C53H96O6	828.720703	NA	HMDB2010	NA	NA
+HMDB10436	TG(18:1(11Z)/14:0/18:2(9Z,12Z))[iso3]	C53H96O6	828.720703	NA	HMDB2010	NA	NA
+HMDB10449	TG(18:1(9Z)/14:0/18:2(9Z,12Z))[iso6]	C53H96O6	828.720703	NA	HMDB2010	NA	NA
+MJ095725	Bis[N-carboxymethyl-N-[2-[[4-[[(carboxymethyl)amino]carbonyl]phenyl]amino]-2-oxoethyl]glycinato]technetate(III)(1-) 	C30H30N6O16Tc(-)	829.086869	NA	MeJP	NA	NA
+PJ046473	CCCCMMH 	C28H47N9O8S6	829.1872	NA	PeJP	NA	NA
+PJ046474	CCDDDEM 	C28H43N7O16S3	829.1929	NA	PeJP	NA	NA
+PJ046475	GCCCCNNN 	C26H43N11O12S4	829.1976	NA	PeJP	NA	NA
+PJ046476	CCCCDHF 	C31H43N9O10S4	829.2016	NA	PeJP	NA	NA
+FL7AACGL0085	Cyanidin 3-O-[2''-O-(xylosyl) glucoside] 5-O-(6'''-O-malonyl) glucoside	C35H41O23	829.20386	-	knapsack	NA	NA
+FL7AACGL0103	Cyanidin 3-O-[(6-O-malonyl-2-O-beta-D-xylopyranosyl)-beta-D-glucopyranoside]-7-O-beta-D-glucopyranoside	C35H41O23	829.20386	339079-78-6	knapsack	NA	NA
+PJ046477	GSCCCNDE 	C27H43N9O15S3	829.2041	NA	PeJP	NA	NA
+PJ046478	GPCCCCNM 	C28H47N9O10S5	829.205	NA	PeJP	NA	NA
+PJ046479	SCCCNDW 	C31H43N9O12S3	829.2194	NA	PeJP	NA	NA
+PJ046480	SSSCCNDD 	C27H43N9O17S2	829.2219	NA	PeJP	NA	NA
+PJ046481	CCNNDMM 	C28H47N9O12S4	829.2227	NA	PeJP	NA	NA
+PJ046482	GGGGCCDMM 	C28H47N9O12S4	829.2228	NA	PeJP	NA	NA
+PJ046483	PCCDDDY 	C32H43N7O15S2	829.2259	NA	PeJP	NA	NA
+PJ046484	SCDDEMM 	C29H47N7O15S3	829.2293	NA	PeJP	NA	NA
+PJ046485	PCCDMMM 	C30H51N7O10S5	829.2301	NA	PeJP	NA	NA
+PJ046486	CCCCNER 	C27H47N11O11S4	829.234	NA	PeJP	NA	NA
+PJ046487	CCNNDDF 	C31H43N9O14S2	829.2371	NA	PeJP	NA	NA
+PJ046488	GCCCQMW 	C32H47N9O9S4	829.238	NA	PeJP	NA	NA
+PJ046489	GSSCCNEM 	C28H47N9O14S3	829.2405	NA	PeJP	NA	NA
+PJ046490	APCCCCCK 	C29H51N9O9S5	829.2414	NA	PeJP	NA	NA
+PJ046491	CCCNNHH 	C29H43N13O10S3	829.2418	NA	PeJP	NA	NA
+PJ046492	GGGGCCCHH 	C29H43N13O10S3	829.2419	NA	PeJP	NA	NA
+PJ046493	ACDDDEY 	C32H43N7O17S	829.2436	NA	PeJP	NA	NA
+PJ046494	GDDDDMY 	C32H43N7O17S	829.2437	NA	PeJP	NA	NA
+PJ046495	PCCDDMF 	C33H47N7O12S3	829.2445	NA	PeJP	NA	NA
+PJ046496	GDDMMMM 	C30H51N7O12S4	829.2479	NA	PeJP	NA	NA
+PJ046497	SCCDEHH 	C30H43N11O13S2	829.2484	NA	PeJP	NA	NA
+PJ046498	GCCCCRW 	C31H47N11O8S4	829.2492	NA	PeJP	NA	NA
+PJ046499	GSSCCCDR 	C27H47N11O13S3	829.2517	NA	PeJP	NA	NA
+PJ046500	SCNNDDY 	C31H43N9O16S	829.2549	NA	PeJP	NA	NA
+PJ046501	SSCCNMW 	C32H47N9O11S3	829.2557	NA	PeJP	NA	NA
+PJ046502	GGSSCCMW 	C32H47N9O11S3	829.2558	NA	PeJP	NA	NA
+PJ046503	SSSSCNDM 	C28H47N9O16S2	829.2582	NA	PeJP	NA	NA
+PJ046504	GGSSSSCDM 	C28H47N9O16S2	829.2583	NA	PeJP	NA	NA
+PJ046505	CDDEYW 	C36H43N7O14S	829.2589	NA	PeJP	NA	NA
+PJ046506	SCNNMMM 	C29H51N9O11S4	829.2591	NA	PeJP	NA	NA
+C11443	Aromatized deshydroxy-C-1027 chromophore	C43H44ClN3O12	829.2614	NA	KEGG	NA	NA
+C11444	Acetyl-[pcp]	C2H3OSR	829.2614	NA	KEGG	NA	NA
+PJ046507	SSDDDEY 	C32H43N7O19	829.2614	NA	PeJP	NA	NA
+PJ046508	SPCDDMY 	C33H47N7O14S2	829.2623	NA	PeJP	NA	NA
+PJ046509	CEMMMW 	C34H51N7O9S4	829.2631	NA	PeJP	NA	NA
+PJ046510	SSDEMMM 	C30H51N7O14S3	829.2656	NA	PeJP	NA	NA
+PJ046511	SPCMMMM 	C31H55N7O9S5	829.2665	NA	PeJP	NA	NA
+PJ046512	GCDMMHH 	C31H47N11O10S3	829.267	NA	PeJP	NA	NA
+PJ046513	SCCCQMR 	C28H51N11O10S4	829.2703	NA	PeJP	NA	NA
+PJ046514	TCCCNMR 	C28H51N11O10S4	829.2704	NA	PeJP	NA	NA
+PJ046515	ACCCHFF 	C36H47N9O8S3	829.271	NA	PeJP	NA	NA
+PJ046516	ADDDEEH 	C31H43N9O18	829.2726	NA	PeJP	NA	NA
+PJ046517	GDDEEEH 	C31H43N9O18	829.2727	NA	PeJP	NA	NA
+PJ046518	GSSSTCCW 	C32H47N9O13S2	829.2735	NA	PeJP	NA	NA
+PJ046519	GCCCKMW 	C33H51N9O8S4	829.2744	NA	PeJP	NA	NA
+PJ046520	GSSSSSSCE 	C28H47N9O18S	829.276	NA	PeJP	NA	NA
+PJ046521	GDDDDFF 	C36H43N7O16	829.2767	NA	PeJP	NA	NA
+PJ046522	GSSSCQMM 	C29H51N9O13S3	829.2769	NA	PeJP	NA	NA
+PJ046523	CNNNNDH 	C29H43N13O14S	829.2773	NA	PeJP	NA	NA
+PJ046524	GGCNNNDH 	C29H43N13O14S	829.2774	NA	PeJP	NA	NA
+PJ046525	CDEMFW 	C37H47N7O11S2	829.2775	NA	PeJP	NA	NA
+PJ046526	GSDEEMY 	C33H47N7O16S	829.28	NA	PeJP	NA	NA
+PJ046527	GPCEMMY 	C34H51N7O11S3	829.2809	NA	PeJP	NA	NA
+PJ046528	GCDDHHF 	C34H43N11O12S	829.2814	NA	PeJP	NA	NA
+PJ046529	SCCCCRR 	C27H51N13O9S4	829.2816	NA	PeJP	NA	NA
+PJ046530	SNNDDEH 	C30H43N11O17	829.2839	NA	PeJP	NA	NA
+PJ046531	GTEMMMM 	C31H55N7O11S4	829.2843	NA	PeJP	NA	NA
+PJ046532	GCCNDRY 	C31H47N11O12S2	829.2847	NA	PeJP	NA	NA
+PJ046533	GGGCCDRY 	C31H47N11O12S2	829.2848	NA	PeJP	NA	NA
+PJ046534	GCCHHHH 	C32H43N15O8S2	829.2861	NA	PeJP	NA	NA
+PJ046535	DDEEHW 	C35H43N9O15	829.2879	NA	PeJP	NA	NA
+PJ046536	GSSSCCMR 	C28H51N11O12S3	829.2881	NA	PeJP	NA	NA
+PJ046537	CCQQYW 	C36H47N9O10S2	829.2887	NA	PeJP	NA	NA
+PJ046538	CNNMYW 	C36H47N9O10S2	829.2888	NA	PeJP	NA	NA
+PJ046539	SSCNQEY 	C32H47N9O15S	829.2912	NA	PeJP	NA	NA
+PJ046540	SSSSSSCW 	C32H47N9O15S	829.2913	NA	PeJP	NA	NA
+PJ046541	STCCCKW 	C33H51N9O10S3	829.2921	NA	PeJP	NA	NA
+PJ046542	GGGGACMMF 	C33H51N9O10S3	829.2922	NA	PeJP	NA	NA
+PJ046543	SSSSSSSSD 	C28H47N9O20	829.2937	NA	PeJP	NA	NA
+PJ046544	SSSSSNMM 	C29H51N9O15S2	829.2946	NA	PeJP	NA	NA
+PJ046545	SDEMYW 	C37H47N7O13S	829.2953	NA	PeJP	NA	NA
+PJ046546	SCCQKMM 	C30H55N9O10S4	829.2955	NA	PeJP	NA	NA
+PJ046547	PCMMYW 	C38H51N7O8S3	829.2962	NA	PeJP	NA	NA
+PJ046548	SSSEEEY 	C33H47N7O18	829.2978	NA	PeJP	NA	NA
+PJ046549	QEEMMY 	C34H51N7O13S2	829.2986	NA	PeJP	NA	NA
+PJ046550	GAEEMMY 	C34H51N7O13S2	829.2987	NA	PeJP	NA	NA
+PJ046551	GSNDDHW 	C34H43N11O14	829.2991	NA	PeJP	NA	NA
+PJ046552	TMMMMW 	C35H55N7O8S4	829.2995	NA	PeJP	NA	NA
+PJ046553	GPCCQHW 	C35H47N11O9S2	829.3	NA	PeJP	NA	NA
+PJ046554	STTEMMM 	C31H55N7O13S3	829.302	NA	PeJP	NA	NA
+PJ046555	GNNEEMH 	C31H47N11O14S	829.3025	NA	PeJP	NA	NA
+PJ046556	GVMMMMM 	C32H59N7O8S5	829.3029	NA	PeJP	NA	NA
+PJ046557	GCCNMFR 	C32H51N11O9S3	829.3034	NA	PeJP	NA	NA
+PJ046558	SSSSTCCR 	C28H51N11O14S2	829.3059	NA	PeJP	NA	NA
+PJ046559	GSSCQYW 	C36H47N9O12S	829.3065	NA	PeJP	NA	NA
+PJ046560	SCCCKMR 	C29H55N11O9S4	829.3067	NA	PeJP	NA	NA
+PJ046561	GSSSSNEY 	C32H47N9O17	829.309	NA	PeJP	NA	NA
+PJ046562	DDMMRY 	C33H51N9O12S2	829.3099	NA	PeJP	NA	NA
+PJ046563	PCDFYW 	C41H47N7O10S	829.3105	NA	PeJP	NA	NA
+PJ046564	PPCCHHH 	C34H47N13O8S2	829.3112	NA	PeJP	NA	NA
+PJ046565	GSSSSSSTM 	C29H51N9O17S	829.3124	NA	PeJP	NA	NA
+PJ046566	GSPDEYY 	C37H47N7O15	829.313	NA	PeJP	NA	NA
+PJ046567	GGEEEFY 	C37H47N7O15	829.3131	NA	PeJP	NA	NA
+PJ046568	GSSSCKMM 	C30H55N9O12S3	829.3133	NA	PeJP	NA	NA
+PJ046569	GCNDEHR 	C30H47N13O13S	829.3137	NA	PeJP	NA	NA
+PJ046570	GGGCDEHR 	C30H47N13O13S	829.3138	NA	PeJP	NA	NA
+PJ046571	AEMMYW 	C38H51N7O10S2	829.3139	NA	PeJP	NA	NA
+PJ046572	MMMMMR 	C31H59N9O7S5	829.3141	NA	PeJP	NA	NA
+PJ046573	GTTEEMY 	C34H51N7O15S	829.3164	NA	PeJP	NA	NA
+PJ046574	GPTMMMY 	C35H55N7O10S3	829.3173	NA	PeJP	NA	NA
+PJ046575	NNEMHW 	C35H47N11O11S	829.3177	NA	PeJP	NA	NA
+PJ046576	GGNEMHW 	C35H47N11O11S	829.3178	NA	PeJP	NA	NA
+PJ046577	SSNQEEH 	C31H47N11O16	829.3202	NA	PeJP	NA	NA
+PJ046578	GGSSQEEH 	C31H47N11O16	829.3203	NA	PeJP	NA	NA
+PJ046579	SSLMMMM 	C32H59N7O10S4	829.3206	NA	PeJP	NA	NA
+PJ046580	GSCNMRY 	C32H51N11O11S2	829.3211	NA	PeJP	NA	NA
+PJ046581	GNNDHHH 	C32H43N15O12	829.3216	NA	PeJP	NA	NA
+PJ046582	CNNFFW 	C40H47N9O9S	829.3218	NA	PeJP	NA	NA
+PJ046583	SSSSNYW 	C36H47N9O14	829.3243	NA	PeJP	NA	NA
+PJ046584	CCQKYW 	C37H51N9O9S2	829.3251	NA	PeJP	NA	NA
+PJ046585	PEMMHW 	C37H51N9O9S2	829.3252	NA	PeJP	NA	NA
+MJ095726	Antibiotic EM 2487 	C32H57N5O16P2	829.327553	NA	MeJP	NA	NA
+PJ046586	SSSQQMY 	C33H51N9O14S	829.3276	NA	PeJP	NA	NA
+PJ046587	GGGGSTTMY 	C33H51N9O14S	829.3277	NA	PeJP	NA	NA
+PJ046588	SPDYYW 	C41H47N7O12	829.3283	NA	PeJP	NA	NA
+PJ046589	DMMMFR 	C34H55N9O9S3	829.3285	NA	PeJP	NA	NA
+PJ046590	CNDHRW 	C34H47N13O10S	829.329	NA	PeJP	NA	NA
+PJ046591	PCMFFW 	C42H51N7O7S2	829.3292	NA	PeJP	NA	NA
+PJ046592	SSSSSSSTT 	C29H51N9O19	829.3301	NA	PeJP	NA	NA
+PJ046593	SSSSTCKM 	C30H55N9O14S2	829.331	NA	PeJP	NA	NA
+PJ046594	SSNDDHR 	C30H47N13O15	829.3315	NA	PeJP	NA	NA
+PJ046595	TTEMYW 	C38H51N7O12S	829.3317	NA	PeJP	NA	NA
+PJ046596	SCCKKMM 	C31H59N9O9S4	829.3319	NA	PeJP	NA	NA
+PJ046597	SPCCQHR 	C31H51N13O10S2	829.3324	NA	PeJP	NA	NA
+PJ046598	CLMMFW 	C39H55N7O7S3	829.3325	NA	PeJP	NA	NA
+PJ046599	GNMHWW 	C39H47N11O8S	829.333	NA	PeJP	NA	NA
+PJ046600	STTTEEY 	C34H51N7O17	829.3342	NA	PeJP	NA	NA
+PJ046601	KEEMMY 	C35H55N7O12S2	829.335	NA	PeJP	NA	NA
+PJ046602	PPPEEMM 	C35H55N7O12S2	829.3351	NA	PeJP	NA	NA
+PJ046603	GSSQEHW 	C35H47N11O13	829.3355	NA	PeJP	NA	NA
+PJ046604	GPCCKHW 	C36H51N11O8S2	829.3364	NA	PeJP	NA	NA
+MJ095727	Cephabacin F; Cephabacin F4, 28-Deoxy, N27-(L-Alanyl-L-alanyl) 	C32H51N11O13S	829.338851	NA	MeJP	NA	NA
+PJ046605	SSSCQRY 	C32H51N11O13S	829.3389	NA	PeJP	NA	NA
+PJ046606	GNQYYW 	C40H47N9O11	829.3395	NA	PeJP	NA	NA
+PJ046607	ACCCKFR 	C33H55N11O8S3	829.3398	NA	PeJP	NA	NA
+PJ046608	GSSCKYW 	C37H51N9O11S	829.3429	NA	PeJP	NA	NA
+PJ046609	EFYWW 	C45H47N7O9	829.3435	NA	PeJP	NA	NA
+PJ046610	GSSSSDKY 	C33H51N9O16	829.3454	NA	PeJP	NA	NA
+PJ046611	TEMMRY 	C34H55N9O11S2	829.3463	NA	PeJP	NA	NA
+PJ046612	GNNNQHF 	C34H47N13O12	829.3467	NA	PeJP	NA	NA
+PJ046613	GGGNNQHF 	C34H47N13O12	829.3468	NA	PeJP	NA	NA
+PJ046614	APMYYW 	C42H51N7O9S	829.3469	NA	PeJP	NA	NA
+PJ046615	CMHHFR 	C35H51N13O7S2	829.3476	NA	PeJP	NA	NA
+PJ046616	VQEEYY 	C38H51N7O14	829.3494	NA	PeJP	NA	NA
+PJ046617	GSNEMHR 	C31H51N13O12S	829.3501	NA	PeJP	NA	NA
+PJ046618	SLMMYW 	C39H55N7O9S2	829.3503	NA	PeJP	NA	NA
+PJ046619	SSQHWW 	C39H47N11O10	829.3508	NA	PeJP	NA	NA
+MJ095728	Aclacinomycin M; 10-Hydroxy 	C42H55NO16	829.352084	NA	MeJP	NA	NA
+MJ095729	Aclacinomycin M; 4''-Epimer, 8-hydroxy 	C42H55NO16	829.352084	NA	MeJP	NA	NA
+MJ095730	Antibiotic MA 144U1 	C42H55NO16	829.352084	NA	MeJP	NA	NA
+MJ095731	Rhodirubin A 	C42H55NO16	829.352084	NA	MeJP	NA	NA
+PJ046620	SSTLEMY 	C35H55N7O14S	829.3528	NA	PeJP	NA	NA
+PJ046621	AALMMMY 	C36H59N7O9S3	829.3537	NA	PeJP	NA	NA
+PJ046622	NDKMHW 	C36H51N11O10S	829.3541	NA	PeJP	NA	NA
+PJ046623	GPPCDRW 	C36H51N11O10S	829.3542	NA	PeJP	NA	NA
+PJ046624	GSSSSSRY 	C32H51N11O15	829.3566	NA	PeJP	NA	NA
+PJ046625	GGGPEEER 	C32H51N11O15	829.3567	NA	PeJP	NA	NA
+PJ046626	GTCCKRY 	C33H55N11O10S2	829.3575	NA	PeJP	NA	NA
+PJ046627	DEHHHR 	C33H47N15O11	829.358	NA	PeJP	NA	NA
+PJ046628	PPNMWW 	C41H51N9O8S	829.3582	NA	PeJP	NA	NA
+PJ046629	TQQQYY 	C37H51N9O13	829.3606	NA	PeJP	NA	NA
+PJ046630	AAPQEEW 	C37H51N9O13	829.3607	NA	PeJP	NA	NA
+PJ046631	GSCDHRR 	C30H51N15O11S	829.3614	NA	PeJP	NA	NA
+PJ046632	CCKKYW 	C38H55N9O8S2	829.3615	NA	PeJP	NA	NA
+PJ046633	VDHHHW 	C38H47N13O9	829.362	NA	PeJP	NA	NA
+PJ046634	SSSQKMY 	C34H55N9O13S	829.364	NA	PeJP	NA	NA
+PJ046635	GGAAPPTEM 	C34H55N9O13S	829.3641	NA	PeJP	NA	NA
+PJ046636	GLEYYW 	C42H51N7O11	829.3647	NA	PeJP	NA	NA
+PJ046637	VMMMRY 	C35H59N9O8S3	829.3649	NA	PeJP	NA	NA
+PJ046638	SNMHRW 	C35H51N13O9S	829.3654	NA	PeJP	NA	NA
+PJ046639	GHHFFW 	C43H47N11O7	829.366	NA	PeJP	NA	NA
+PJ046640	GPDDDRR 	C31H51N13O14	829.3679	NA	PeJP	NA	NA
+PJ046641	ASPVMYY 	C39H55N7O11S	829.368	NA	PeJP	NA	NA
+PJ046642	PKEMYY 	C39H55N7O11S	829.3681	NA	PeJP	NA	NA
+PJ046643	QQMMHR 	C32H55N13O9S2	829.3687	NA	PeJP	NA	NA
+PJ046644	GAQMMHR 	C32H55N13O9S2	829.3688	NA	PeJP	NA	NA
+PJ046645	ACKHWW 	C40H51N11O7S	829.3694	NA	PeJP	NA	NA
+PJ046646	PVVEEEE 	C35H55N7O16	829.3706	NA	PeJP	NA	NA
+PJ046647	ATTLMMY 	C36H59N7O11S2	829.3714	NA	PeJP	NA	NA
+PJ046648	PNEERW 	C36H51N11O12	829.3719	NA	PeJP	NA	NA
+PJ046649	KMMHHF 	C37H55N11O7S2	829.3728	NA	PeJP	NA	NA
+PJ046650	SSSCKRY 	C33H55N11O12S	829.3753	NA	PeJP	NA	NA
+PJ046651	PVNEWW 	C41H51N9O10	829.3759	NA	PeJP	NA	NA
+PJ046652	GNNNQQR 	C30H51N15O13	829.3791	NA	PeJP	NA	NA
+PJ046653	GGGGGGGGGAAR 	C30H51N15O13	829.3792	NA	PeJP	NA	NA
+PJ046654	GPPDKMW 	C38H55N9O10S	829.3793	NA	PeJP	NA	NA
+PJ046655	LYYWW 	C46H51N7O8	829.3799	NA	PeJP	NA	NA
+PJ046656	CQMHRR 	C31H55N15O8S2	829.38	NA	PeJP	NA	NA
+PJ046657	GSSSTTKY 	C34H55N9O15	829.3818	NA	PeJP	NA	NA
+PJ046658	GTCKKMY 	C35H59N9O10S2	829.3827	NA	PeJP	NA	NA
+PJ046659	GSSTHRW 	C35H51N13O11	829.3831	NA	PeJP	NA	NA
+PJ046660	GGGGGSPRW 	C35H51N13O11	829.3832	NA	PeJP	NA	NA
+PJ046661	ALMFYW 	C43H55N7O8S	829.3833	NA	PeJP	NA	NA
+PJ046662	VKEEYY 	C39H55N7O13	829.3858	NA	PeJP	NA	NA
+PJ046663	SPPCDRR 	C32H55N13O11S	829.3865	NA	PeJP	NA	NA
+PJ046664	AALMMFF 	C40H59N7O8S2	829.3867	NA	PeJP	NA	NA
+PJ046665	SSKHWW 	C40H51N11O9	829.3871	NA	PeJP	NA	NA
+PJ046666	GPERWW 	C40H51N11O9	829.3872	NA	PeJP	NA	NA
+8288	Antioxidative peptide	YFYPQL	829.388	NA  ;SYN:(3R)-LS-Isoleucine; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoate; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoic acid; Allo-L-Isoleucine; Allo-Isoleucine; L(+)-Alloisoleucine; L-allo-Isoleucine; L-alloisoleucine; [S-(R*,S*)]-2-Amino-3-methylpentanoate; [S-(R*,S*)]-2-Amino-3-methylpentanoic acid; threo-3-methyl-L-Norvaline; threo-L-Isoleucine; (2S,3R)-2-amino-3-methylpentanoic acid; (2S,3R)-2-amino-3-methylpentanoateH2Blood	Inhouse_peptide	NA	peptide
+PJ046667	TTTTLMY 	C36H59N7O13S	829.3892	NA	PeJP	NA	NA
+PJ046668	GSPPMRW 	C37H55N11O9S	829.3905	NA	PeJP	NA	NA
+PJ046669	GPVWWW 	C45H51N9O7	829.3912	NA	PeJP	NA	NA
+PJ046670	GPDKEER 	C33H55N11O14	829.393	NA	PeJP	NA	NA
+PJ046671	GGGGGAPTKE 	C33H55N11O14	829.3931	NA	PeJP	NA	NA
+PJ046672	APPQMMR 	C34H59N11O9S2	829.3939	NA	PeJP	NA	NA
+PJ046673	GSQKHHH 	C34H51N15O10	829.3944	NA	PeJP	NA	NA
+PJ046674	PLMHFW 	C42H55N9O7S	829.3946	NA	PeJP	NA	NA
+PJ046675	SSPPKEW 	C38H55N9O12	829.397	NA	PeJP	NA	NA
+PJ046676	AAPKEEW 	C38H55N9O12	829.3971	NA	PeJP	NA	NA
+PJ046677	GSSMHRR 	C31H55N15O10S	829.3977	NA	PeJP	NA	NA
+PJ046678	GGGPCQRR 	C31H55N15O10S	829.3978	NA	PeJP	NA	NA
+PJ046679	LLMMHW 	C39H59N9O7S2	829.3979	NA	PeJP	NA	NA
+PJ046680	GQHFRW 	C39H51N13O8	829.3984	NA	PeJP	NA	NA
+PJ046681	SSSKKMY 	C35H59N9O12S	829.4004	NA	PeJP	NA	NA
+PJ046682	SVLYYW 	C43H55N7O10	829.4011	NA	PeJP	NA	NA
+PJ046683	TCKHRW 	C36H55N13O8S	829.4018	NA	PeJP	NA	NA
+PJ046684	PRWWW 	C44H51N11O6	829.4024	NA	PeJP	NA	NA
+PJ046685	STTTQHR 	C32H55N13O13	829.4042	NA	PeJP	NA	NA
+PJ046686	GSPEERR 	C32H55N13O13	829.4043	NA	PeJP	NA	NA
+PJ046687	LLQMYY 	C40H59N7O10S	829.4044	NA	PeJP	NA	NA
+PJ046688	APPCMRR 	C33H59N13O8S2	829.4051	NA	PeJP	NA	NA
+PJ046689	PTLLEEE 	C36H59N7O15	829.4069	NA	PeJP	NA	NA
+PJ046690	PPLLEMM 	C37H63N7O10S2	829.4078	NA	PeJP	NA	NA
+PJ046691	PDKERW 	C37H55N11O11	829.4083	NA	PeJP	NA	NA
+PJ046692	PHHHFR 	C38H51N15O7	829.4096	NA	PeJP	NA	NA
+PJ046693	PPTTQMR 	C34H59N11O11S	829.4116	NA	PeJP	NA	NA
+PJ046694	GPLQEMR 	C34H59N11O11S	829.4117	NA	PeJP	NA	NA
+PJ046695	PVDKWW 	C42H55N9O9	829.4123	NA	PeJP	NA	NA
+PJ046696	LMHHHR 	C35H55N15O7S	829.413	NA	PeJP	NA	NA
+PJ046697	SSSTHRR 	C31H55N15O12	829.4155	NA	PeJP	NA	NA
+PJ046698	APPTKMW 	C39H59N9O9S	829.4157	NA	PeJP	NA	NA
+PJ046699	ALFFFW 	C47H55N7O7	829.4163	NA	PeJP	NA	NA
+PJ046700	CKMHRR 	C32H59N15O7S2	829.4164	NA	PeJP	NA	NA
+PJ046701	APKKEEE 	C35H59N9O14	829.4182	NA	PeJP	NA	NA
+PJ046702	SVLLMMH 	C36H63N9O9S2	829.419	NA	PeJP	NA	NA
+7894	peptide from human milk b-casein (167-173)	QVVPYPQ	829.419	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ046703	VVTLMMH 	C36H63N9O9S2	829.4191	NA	PeJP	NA	NA
+PJ046704	SPERRW 	C36H55N13O10	829.4195	NA	PeJP	NA	NA
+PJ046705	GTTLLYY 	C40H59N7O12	829.4222	NA	PeJP	NA	NA
+PJ046706	AAPEMRR 	C33H59N13O10S	829.4229	NA	PeJP	NA	NA
+PJ046707	SPVRWW 	C41H55N11O8	829.4235	NA	PeJP	NA	NA
+PJ046708	GAPPFRW 	C41H55N11O8	829.4236	NA	PeJP	NA	NA
+PJ046709	PVLLEEM 	C37H63N7O12S	829.4256	NA	PeJP	NA	NA
+PJ046710	NNDRRR 	C30H55N17O11	829.4267	NA	PeJP	NA	NA
+PJ046711	GGGGDRRR 	C30H55N17O11	829.4268	NA	PeJP	NA	NA
+PJ046712	PLQMRW 	C38H59N11O8S	829.4269	NA	PeJP	NA	NA
+PJ046713	APTKEER 	C34H59N11O13	829.4294	NA	PeJP	NA	NA
+MJ095732	Tubulysin B 	C42H63N5O10S	829.429563	NA	MeJP	NA	NA
+C15703	Tubulysin B	C42H63N5O10S	829.4296	NA	KEGG	NA	NA
+PJ046714	APPKMMR 	C35H63N11O8S2	829.4303	NA	PeJP	NA	NA
+MJ095733	Trihexosylceramide 	C37H67NO19	829.430729	NA	MeJP	NA	NA
+PJ046715	GQQRRW 	C35H55N15O9	829.4308	NA	PeJP	NA	NA
+3480	ACE-inhibitor (b-casein, fr, 177-183)	AVPYPQR	829.431	ACE inhibitor	Inhouse_peptide	NA	peptide
+7875	peptide derived from bovine b-casein (177-183)	AVPYPQR	829.431	antioxidative	Inhouse_peptide	NA	peptide
+PJ046716	GPTLKEW 	C39H59N9O11	829.4334	NA	PeJP	NA	NA
+PJ046717	GGGVLLEW 	C39H59N9O11	829.4335	NA	PeJP	NA	NA
+PJ046718	PDMRRR 	C32H59N15O9S	829.4341	NA	PeJP	NA	NA
+PJ046719	GKHFRW 	C40H55N13O7	829.4348	NA	PeJP	NA	NA
+PJ046720	PPTKKEM 	C36H63N9O11S	829.4368	NA	PeJP	NA	NA
+PJ046721	PLKFYY 	C44H59N7O9	829.4375	NA	PeJP	NA	NA
+PJ046722	PCLRRW 	C37H59N13O7S	829.4381	NA	PeJP	NA	NA
+PJ046723	APTTERR 	C33H59N13O12	829.4406	NA	PeJP	NA	NA
+PJ046724	LQEERR 	C33H59N13O12	829.4407	NA	PeJP	NA	NA
+PJ046725	LLKMYY 	C41H63N7O9S	829.4408	NA	PeJP	NA	NA
+PJ046726	KKMMHR 	C34H63N13O7S2	829.4415	NA	PeJP	NA	NA
+PJ046727	PQHHRR 	C34H55N17O8	829.442	NA	PeJP	NA	NA
+PJ046728	VVLLEEE 	C37H63N7O14	829.4433	NA	PeJP	NA	NA
+PJ046729	VLQERW 	C38H59N11O10	829.4447	NA	PeJP	NA	NA
+MJ095734	Maridomycin III 	C41H67NO16	829.445985	NA	MeJP	NA	NA
+MJ095735	Sekazin 	C41H67NO16	829.445985	NA	MeJP	NA	NA
+MJ095736	Carboxymycobactins; Carboxymycobactin 7 	C42H63N5O12	829.447322	NA	MeJP	NA	NA
+PJ046730	APVKEMR 	C35H63N11O10S	829.448	NA	PeJP	NA	NA
+PJ046731	GPLKEMR 	C35H63N11O10S	829.4481	NA	PeJP	NA	NA
+PJ046732	PTLKWW 	C43H59N9O8	829.4487	NA	PeJP	NA	NA
+PJ046733	VDERRR 	C32H59N15O11	829.4519	NA	PeJP	NA	NA
+PJ046734	GPVLKMW 	C40H63N9O8S	829.4521	NA	PeJP	NA	NA
+PJ046735	SPLKKEE 	C36H63N9O13	829.4546	NA	PeJP	NA	NA
+PJ046736	PPVKKMM 	C37H67N9O8S2	829.4554	NA	PeJP	NA	NA
+PJ046737	ALERRW 	C37H59N13O9	829.4559	NA	PeJP	NA	NA
+PJ046738	PPVLLEY 	C41H63N7O11	829.4586	NA	PeJP	NA	NA
+PJ046739	GPTLMRR 	C34H63N13O9S	829.4593	NA	PeJP	NA	NA
+PJ046740	GLLRWW 	C42H59N11O7	829.4599	NA	PeJP	NA	NA
+MJ095737	Antibiotic AH 758 	C45H67NO13	829.461241	NA	MeJP	NA	NA
+PJ046741	SQQRRR 	C31H59N17O10	829.4631	NA	PeJP	NA	NA
+PJ046742	PLKMRW 	C39H63N11O7S	829.4633	NA	PeJP	NA	NA
+PJ046743	GVLKEER 	C35H63N11O12	829.4658	NA	PeJP	NA	NA
+PJ046744	GQKRRW 	C36H59N15O8	829.4671	NA	PeJP	NA	NA
+PJ046745	AALLKEW 	C40H63N9O10	829.4698	NA	PeJP	NA	NA
+PJ046746	PVVKKEM 	C37H67N9O10S	829.4732	NA	PeJP	NA	NA
+PJ046747	LLKFFY 	C45H63N7O8	829.4738	NA	PeJP	NA	NA
+PJ046748	PPPLLFF 	C45H63N7O8	829.4739	NA	PeJP	NA	NA
+3700	NA	RKQDKR	829.4749	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ046749	LKEERR 	C34H63N13O11	829.477	NA	PeJP	NA	NA
+PJ046750	GGGVKKER 	C34H63N13O11	829.4771	NA	PeJP	NA	NA
+PJ046751	PPLLLMF 	C42H67N7O8S	829.4772	NA	PeJP	NA	NA
+PJ046752	PKHHRR 	C35H59N17O7	829.4784	NA	PeJP	NA	NA
+PJ046753	TLLLLEE 	C38H67N7O13	829.4797	NA	PeJP	NA	NA
+PJ046754	PLLLLMM 	C39H71N7O8S2	829.4806	NA	PeJP	NA	NA
+PJ046755	VLKERW 	C39H63N11O9	829.4811	NA	PeJP	NA	NA
+PJ046756	SPVLKMR 	C36H67N11O9S	829.4844	NA	PeJP	NA	NA
+PJ046757	VVLKWW 	C44H63N9O7	829.4851	NA	PeJP	NA	NA
+PJ046758	TLERRR 	C33H63N15O10	829.4883	NA	PeJP	NA	NA
+HMDB12417	PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H72NO10P	829.48938	NA	HMDB2010	NA	NA
+HMDB12447	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	C46H72NO10P	829.48938	NA	HMDB2010	NA	NA
+PJ046759	SLLLQKE 	C37H67N9O12	829.4909	NA	PeJP	NA	NA
+PJ046760	ALLKKEE 	C37H67N9O12	829.491	NA	PeJP	NA	NA
+PJ046761	SLLRRW 	C38H63N13O8	829.4923	NA	PeJP	NA	NA
+PJ046762	PVLLLEF 	C42H67N7O10	829.495	NA	PeJP	NA	NA
+PJ046763	AALLMRR 	C35H67N13O8S	829.4957	NA	PeJP	NA	NA
+PJ046764	VLLLLEM 	C39H71N7O10S	829.4983	NA	PeJP	NA	NA
+PJ046765	LLLLLDM 	C39H71N7O10S	829.4984	NA	PeJP	NA	NA
+PJ046766	SQKRRR 	C32H63N17O9	829.4995	NA	PeJP	NA	NA
+PJ046767	ATLLKER 	C36H67N11O11	829.5022	NA	PeJP	NA	NA
+PJ046768	GKKRRW 	C37H63N15O7	829.5035	NA	PeJP	NA	NA
+PJ046769	GTLLLKW 	C41H67N9O9	829.5062	NA	PeJP	NA	NA
+PJ046770	VLMRRR 	C34H67N15O7S	829.5069	NA	PeJP	NA	NA
+PJ046771	PTLLKKM 	C38H71N9O9S	829.5096	NA	PeJP	NA	NA
+PJ046772	ATTLLRR 	C35H67N13O10	829.5134	NA	PeJP	NA	NA
+PJ046773	LQKKKW 	C40H67N11O8	829.5174	NA	PeJP	NA	NA
+PJ046774	GLLLKMR 	C37H71N11O8S	829.5208	NA	PeJP	NA	NA
+PJ046775	DKKKRR 	C34H67N15O9	829.5247	NA	PeJP	NA	NA
+PJ046776	SLLLKKE 	C38H71N9O11	829.5273	NA	PeJP	NA	NA
+PJ046777	PVLLLLY 	C43H71N7O9	829.5314	NA	PeJP	NA	NA
+PJ046778	SKKRRR 	C33H67N17O8	829.5359	NA	PeJP	NA	NA
+PJ046779	STLLLKR 	C37H71N11O10	829.5386	NA	PeJP	NA	NA
+PJ046780	PVVLKKF 	C42H71N9O8	829.5426	NA	PeJP	NA	NA
+PJ046781	VVLLKKM 	C39H75N9O8S	829.546	NA	PeJP	NA	NA
+PJ046782	GTLKKKR 	C36H71N13O9	829.5498	NA	PeJP	NA	NA
+PJ046783	LKKKKW 	C41H71N11O7	829.5538	NA	PeJP	NA	NA
+EUR1000	PC 38:5 [M+Na]+	C46H82NO8P	829.559753	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1000	PC 38:5 [M+Na]+	C46H82NO8P	829.559753	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1000	PC 38:5 [M+Na]+	C46H82NO8P	829.559753	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1000	PC 38:5 [M+Na]+	C46H82NO8P	829.559753	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08156	PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08187	PC(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08188	PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08220	PC(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08221	PC(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08252	PC(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08380	PC(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08412	PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08443	PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08444	PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08476	PC(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08477	PC(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08507	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08508	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08634	PC(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08665	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08666	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08698	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08699	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+HMDB08730	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	C48H80NO8P	829.562134	NA	HMDB2010	NA	NA
+EUR1024	PC 40:8 monoisotopic mass 	C48H80NO8P	829.562157	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1024	PC 40:8 monoisotopic mass 	C48H80NO8P	829.562157	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1024	PC 40:8 monoisotopic mass 	C48H80NO8P	829.562157	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1024	PC 40:8 monoisotopic mass 	C48H80NO8P	829.562157	masses lipides attendues	Inhousejuil11	NA	NA
+PJ046784	VLLLLLF 	C44H75N7O8	829.5677	NA	PeJP	NA	NA
+PJ046785	SVLKKKK 	C38H75N11O9	829.575	NA	PeJP	NA	NA
+EUR972	PC 36:3 [M+FA-H]-	C44H82NO8P	829.582687	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR972	PC 36:3 [M+FA-H]-	C44H82NO8P	829.582687	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR972	PC 36:3 [M+FA-H]-	C44H82NO8P	829.582687	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR972	PC 36:3 [M+FA-H]-	C44H82NO8P	829.582687	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07960	PC(15:0/24:1(15Z))	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB08790	PC(24:1(15Z)/15:0)	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09014	PE(18:0/24:1(15Z))	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09046	PE(18:1(11Z)/24:0)	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09079	PE(18:1(9Z)/24:0)	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09238	PE(20:0/22:1(13Z))	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09270	PE(20:1(11Z)/22:0)	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09494	PE(22:0/20:1(11Z))	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09526	PE(22:1(13Z)/20:0)	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09718	PE(24:0/18:1(11Z))	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09719	PE(24:0/18:1(9Z))	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+HMDB09750	PE(24:1(15Z)/18:0)	C47H92NO8P	829.656067	NA	HMDB2010	NA	NA
+MJ095738	2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside 	C47H91NO10	829.664298	NA	MeJP	NA	NA
+MJ095739	Asteriacerebroside F 	C47H91NO10	829.664298	NA	MeJP	NA	NA
+HMDB08555	PC(22:0/P-18:0)	C48H96NO7P	829.692444	NA	HMDB2010	NA	NA
+HMDB08784	PC(24:0/P-16:0)	C48H96NO7P	829.692444	NA	HMDB2010	NA	NA
+HMDB11230	PC(P-16:0/24:0)	C48H96NO7P	829.692444	NA	HMDB2010	NA	NA
+HMDB11256	PC(P-18:0/22:0)	C48H96NO7P	829.692444	NA	HMDB2010	NA	NA
+HMDB13433	PC(o-18:1(9Z)/22:0)	C48H96NO7P	829.692444	NA	HMDB2010	NA	NA
+MJ095740	Aerothionin; 2''-Hydroxy 	C24H26Br4N4O9	829.843329	NA	MeJP	NA	NA
+PJ046786	GCCCCCCH 	C26H42N10O9S6	830.1461	NA	PeJP	NA	NA
+PJ046787	PPCCCCCC 	C28H46N8O9S6	830.1712	NA	PeJP	NA	NA
+PJ046788	GCCCCNND 	C26H42N10O13S4	830.1816	NA	PeJP	NA	NA
+PJ046789	GSCCCDDE 	C27H42N8O16S3	830.1881	NA	PeJP	NA	NA
+PJ046790	GPCCCCDM 	C28H46N8O11S5	830.189	NA	PeJP	NA	NA
+PJ046791	SCCCDDW 	C31H42N8O13S3	830.2034	NA	PeJP	NA	NA
+PJ046792	SSSCCDDD 	C27H42N8O18S2	830.2059	NA	PeJP	NA	NA
+PJ046793	CCNDDMM 	C28H46N8O13S4	830.2067	NA	PeJP	NA	NA
+PJ046794	GGCCDDMM 	C28H46N8O13S4	830.2068	NA	PeJP	NA	NA
+PJ046795	CCCCDER 	C27H46N10O12S4	830.218	NA	PeJP	NA	NA
+PJ046796	CCNDDDF 	C31H42N8O15S2	830.2211	NA	PeJP	NA	NA
+PJ046797	GGCCDDDF 	C31H42N8O15S2	830.2212	NA	PeJP	NA	NA
+PJ046798	GCCCEMW 	C32H46N8O10S4	830.222	NA	PeJP	NA	NA
+PJ046799	GSSCCDEM 	C28H46N8O15S3	830.2245	NA	PeJP	NA	NA
+PJ046800	GSPCCCMM 	C29H50N8O10S5	830.2254	NA	PeJP	NA	NA
+PJ046801	CCCNDHH 	C29H42N12O11S3	830.2258	NA	PeJP	NA	NA
+PJ046802	GGCCCDHH 	C29H42N12O11S3	830.2259	NA	PeJP	NA	NA
+MJ095741	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?6)-[4-hydroxy-3,5-dimethoxycinnamoyl-(?4)]-?-D-glucopyranoside] 	C39H43O20(+)	830.226943	NA	MeJP	NA	NA
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00936	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00936	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00936	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00936	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00916	Uroporphyrin III	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00916	HMDB	NA	NA
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00936	HMDB	NA	NA
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	http://www.hmdb.ca/metabolites/HMDB00936	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00916	Uroporphyrin III	C40H38N4O16	830.22827	HMDB00916	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.22827	HMDB00936	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00890	Uroporphyrin IV	C40H38N4O16	830.228271	NA	HMDB2010	NA	NA
+HMDB00916	Uroporphyrin III	C40H38N4O16	830.228271	NA	HMDB2010	NA	NA
+HMDB00936	Uroporphyrin I	C40H38N4O16	830.228271	NA	HMDB2010	NA	NA
+MJ095742	Uroporphyrin I 	C40H38N4O16	830.228281	NA	MeJP	NA	NA
+C02469	Uroporphyrin III	C40H38N4O16	830.2283	NA	KEGG	NA	NA
+C05767	Uroporphyrin I	C40H38N4O16	830.2283	NA	KEGG	NA	NA
+PJ046803	SSSCCCNQ 	C27H46N10O14S3	830.2357	NA	PeJP	NA	NA
+PJ046804	GGGGSSTCCC 	C27H46N10O14S3	830.2358	NA	PeJP	NA	NA
+PJ046805	CCCMWW 	C36H46N8O7S4	830.2373	NA	PeJP	NA	NA
+PJ046806	SCNDDDY 	C31H42N8O17S	830.2389	NA	PeJP	NA	NA
+PJ046807	SSCCDMW 	C32H46N8O12S3	830.2398	NA	PeJP	NA	NA
+PJ046808	SSSSCDDM 	C28H46N8O17S2	830.2423	NA	PeJP	NA	NA
+PJ046809	SCNDMMM 	C29H50N8O12S4	830.2431	NA	PeJP	NA	NA
+PJ046810	CCCNNQF 	C31H46N10O11S3	830.251	NA	PeJP	NA	NA
+PJ046811	GSSSSSCCN 	C27H46N10O16S2	830.2535	NA	PeJP	NA	NA
+PJ046812	SCCCEMR 	C28H50N10O11S4	830.2544	NA	PeJP	NA	NA
+PJ046813	GPCCCYW 	C36H46N8O9S3	830.255	NA	PeJP	NA	NA
+PJ046814	GCNDEMY 	C32H46N8O14S2	830.2575	NA	PeJP	NA	NA
+PJ046815	GTCCMMW 	C33H50N8O9S4	830.2584	NA	PeJP	NA	NA
+PJ046816	GSSSCEMM 	C29H50N8O14S3	830.2609	NA	PeJP	NA	NA
+PJ046817	CNNNDDH 	C29H42N12O15S	830.2614	NA	PeJP	NA	NA
+PJ046818	GCQMMMM 	C30H54N8O9S5	830.2618	NA	PeJP	NA	NA
+PJ046819	SCCNMHH 	C30H46N12O10S3	830.2622	NA	PeJP	NA	NA
+MJ095743	Premnoside B; 3''-Me ether 	C40H46O19	830.263329	NA	MeJP	NA	NA
+PJ046820	SNDDDEH 	C30H42N10O18	830.2679	NA	PeJP	NA	NA
+PJ046821	SCCNNQY 	C31H46N10O13S2	830.2687	NA	PeJP	NA	NA
+PJ046822	GCCDDRY 	C31H46N10O13S2	830.2688	NA	PeJP	NA	NA
+PJ046823	PCCCCFR 	C32H50N10O8S4	830.2696	NA	PeJP	NA	NA
+PJ046824	SSSCCCNK 	C28H50N10O13S3	830.2721	NA	PeJP	NA	NA
+PJ046825	CNDMYW 	C36H46N8O11S2	830.2728	NA	PeJP	NA	NA
+PJ046826	GCCMMMR 	C29H54N10O8S5	830.273	NA	PeJP	NA	NA
+PJ046827	SSNDDMY 	C32H46N8O16S	830.2753	NA	PeJP	NA	NA
+PJ046828	SSSCMMW 	C33H50N8O11S3	830.2761	NA	PeJP	NA	NA
+PJ046829	GGPTCCMY 	C33H50N8O11S3	830.2762	NA	PeJP	NA	NA
+PJ046830	SSSSSDMM 	C29H50N8O16S2	830.2786	NA	PeJP	NA	NA
+PJ046831	SSNMMMM 	C30H54N8O11S4	830.2795	NA	PeJP	NA	NA
+PJ046832	GSSTCCHH 	C30H46N12O12S2	830.28	NA	PeJP	NA	NA
+PJ046833	EEEMMY 	C34H50N6O14S2	830.2827	NA	PeJP	NA	NA
+PJ046834	GSDDDHW 	C34H42N10O15	830.2832	NA	PeJP	NA	NA
+PJ046835	GPCCEHW 	C35H46N10O10S2	830.284	NA	PeJP	NA	NA
+PJ046836	GSSSCNNY 	C31H46N10O15S	830.2865	NA	PeJP	NA	NA
+PJ046837	SPCCCRY 	C32H50N10O10S3	830.2874	NA	PeJP	NA	NA
+PJ046838	ACCYWW 	C40H46N8O8S2	830.288	NA	PeJP	NA	NA
+PJ046839	GSSCEYW 	C36H46N8O13S	830.2905	NA	PeJP	NA	NA
+PJ046840	GGGCDEFF 	C36H46N8O13S	830.2906	NA	PeJP	NA	NA
+PJ046841	STCCMMR 	C29H54N10O10S4	830.2907	NA	PeJP	NA	NA
+PJ046842	GSCCCCKK 	C29H54N10O10S4	830.2908	NA	PeJP	NA	NA
+PJ046843	CNMMFW 	C37H50N8O8S3	830.2914	NA	PeJP	NA	NA
+PJ046844	GSSSSDEY 	C32H46N8O18	830.293	NA	PeJP	NA	NA
+PJ046845	GSPPDDDE 	C32H46N8O18	830.2931	NA	PeJP	NA	NA
+PJ046846	GSNEMMY 	C33H50N8O13S2	830.2939	NA	PeJP	NA	NA
+PJ046847	GCYYYY 	C41H46N6O11S	830.2945	NA	PeJP	NA	NA
+PJ046848	PCCCKMF 	C34H54N8O8S4	830.2948	NA	PeJP	NA	NA
+PJ046849	ACCNHHF 	C34H46N12O9S2	830.2952	NA	PeJP	NA	NA
+PJ046850	GCCQHHF 	C34H46N12O9S2	830.2953	NA	PeJP	NA	NA
+PJ046851	DEEEFY 	C37H46N6O16	830.2971	NA	PeJP	NA	NA
+PJ046852	GSSSTMMM 	C30H54N8O13S3	830.2973	NA	PeJP	NA	NA
+PJ046853	SSSSSCHH 	C30H46N12O14S	830.2977	NA	PeJP	NA	NA
+PJ046854	GCDDEHR 	C30H46N12O14S	830.2978	NA	PeJP	NA	NA
+PJ046855	GCKMMMM 	C31H58N8O8S5	830.2982	NA	PeJP	NA	NA
+PJ046856	TCCCKHH 	C31H50N12O9S3	830.2986	NA	PeJP	NA	NA
+PJ046857	PCCHWW 	C39H46N10O7S2	830.2993	NA	PeJP	NA	NA
+MJ095744	Bussein H 	C41H50O18	830.299714	NA	MeJP	NA	NA
+PJ046858	NDEMHW 	C35H46N10O12S	830.3018	NA	PeJP	NA	NA
+PJ046859	SSNEEEH 	C31H46N10O17	830.3043	NA	PeJP	NA	NA
+PJ046860	GSCDMRY 	C32H50N10O12S2	830.3051	NA	PeJP	NA	NA
+PJ046861	GGSPDMMH 	C32H50N10O12S2	830.3052	NA	PeJP	NA	NA
+PJ046862	GNDDHHH 	C32H42N14O13	830.3056	NA	PeJP	NA	NA
+PJ046863	SSCYWW 	C40H46N8O10S	830.3058	NA	PeJP	NA	NA
+PJ046864	SSSSDYW 	C36H46N8O15	830.3083	NA	PeJP	NA	NA
+PJ046865	SNMMYW 	C37H50N8O10S2	830.3091	NA	PeJP	NA	NA
+PJ046866	GGSMMYW 	C37H50N8O10S2	830.3092	NA	PeJP	NA	NA
+PJ046867	SSSQEMY 	C33H50N8O15S	830.3116	NA	PeJP	NA	NA
+PJ046868	GGSSTEMY 	C33H50N8O15S	830.3117	NA	PeJP	NA	NA
+PJ046869	QQMMMY 	C34H54N8O10S3	830.3125	NA	PeJP	NA	NA
+PJ046870	CDDHRW 	C34H46N12O11S	830.313	NA	PeJP	NA	NA
+PJ046871	SSSSTTMM 	C30H54N8O15S2	830.315	NA	PeJP	NA	NA
+PJ046872	SSDDDHR 	C30H46N12O16	830.3155	NA	PeJP	NA	NA
+PJ046873	PEEMYY 	C38H50N6O13S	830.3157	NA	PeJP	NA	NA
+PJ046874	STCKMMM 	C31H58N8O10S4	830.3159	NA	PeJP	NA	NA
+PJ046875	SPCCEHR 	C31H50N12O11S2	830.3164	NA	PeJP	NA	NA
+PJ046876	GDMHWW 	C39H46N10O9S	830.317	NA	PeJP	NA	NA
+PJ046877	GSSEEHW 	C35H46N10O14	830.3195	NA	PeJP	NA	NA
+PJ046878	GGGGGPDEW 	C35H46N10O14	830.3196	NA	PeJP	NA	NA
+PJ046879	TCCRYW 	C36H50N10O9S2	830.3204	NA	PeJP	NA	NA
+PJ046880	SSSCERY 	C32H50N10O14S	830.3229	NA	PeJP	NA	NA
+PJ046881	GNEYYW 	C40H46N8O12	830.3235	NA	PeJP	NA	NA
+PJ046882	GGGEYYW 	C40H46N8O12	830.3236	NA	PeJP	NA	NA
+PJ046883	CQMMRY 	C33H54N10O9S3	830.3238	NA	PeJP	NA	NA
+PJ046884	SPCNHHH 	C33H46N14O10S	830.3242	NA	PeJP	NA	NA
+PJ046885	GGSPCHHH 	C33H46N14O10S	830.3243	NA	PeJP	NA	NA
+PJ046886	CMHFFF 	C41H50N8O7S2	830.3244	NA	PeJP	NA	NA
+PJ046887	NNNNNNQ 	C29H46N14O15	830.3267	NA	PeJP	NA	NA
+PJ046888	GGGGGGNNNQ 	C29H46N14O15	830.3268	NA	PeJP	NA	NA
+MJ095745	Phallacin 	C37H50N8O12S	830.326889	NA	MeJP	NA	NA
+PJ046889	GSSTMYW 	C37H50N8O12S	830.3269	NA	PeJP	NA	NA
+PJ046890	GCNNMHR 	C30H50N14O10S2	830.3276	NA	PeJP	NA	NA
+PJ046891	GSSSTTEY 	C33H50N8O17	830.3294	NA	PeJP	NA	NA
+PJ046892	GSDKMMY 	C34H54N8O12S2	830.3303	NA	PeJP	NA	NA
+PJ046893	SSSNNHW 	C34H46N12O13	830.3308	NA	PeJP	NA	NA
+PJ046894	GCCKHHF 	C35H50N12O8S2	830.3316	NA	PeJP	NA	NA
+PJ046895	VEEEYY 	C38H50N6O15	830.3334	NA	PeJP	NA	NA
+PJ046896	GSDEMHR 	C31H50N12O13S	830.3341	NA	PeJP	NA	NA
+PJ046897	GGGGGGTTMH 	C31H50N12O13S	830.3342	NA	PeJP	NA	NA
+PJ046898	SSEHWW 	C39H46N10O11	830.3348	NA	PeJP	NA	NA
+PJ046899	CCMRRY 	C32H54N12O8S3	830.335	NA	PeJP	NA	NA
+MJ095746	Bussein J 	C42H54O17	830.3361	NA	MeJP	NA	NA
+PJ046900	SSSPMHW 	C36H50N10O11S	830.3381	NA	PeJP	NA	NA
+PJ046901	TQEMHW 	C36H50N10O11S	830.3382	NA	PeJP	NA	NA
+PJ046902	NYYWW 	C44H46N8O9	830.3388	NA	PeJP	NA	NA
+PJ046903	STTQEEH 	C32H50N10O16	830.3406	NA	PeJP	NA	NA
+PJ046904	GPDEEER 	C32H50N10O16	830.3407	NA	PeJP	NA	NA
+PJ046905	GSSMMRY 	C33H54N10O11S2	830.3415	NA	PeJP	NA	NA
+PJ046906	GGGGGAPPMM 	C33H54N10O11S2	830.3416	NA	PeJP	NA	NA
+PJ046907	GSQEHHH 	C33H46N14O12	830.342	NA	PeJP	NA	NA
+PJ046908	PPDMWW 	C41H50N8O9S	830.3422	NA	PeJP	NA	NA
+PJ046909	SSSTTYW 	C37H50N8O14	830.3447	NA	PeJP	NA	NA
+PJ046910	SSCNQHR 	C30H50N14O12S	830.3454	NA	PeJP	NA	NA
+PJ046911	TCKMYW 	C38H54N8O9S2	830.3455	NA	PeJP	NA	NA
+PJ046912	GAQMMFF 	C38H54N8O9S2	830.3456	NA	PeJP	NA	NA
+PJ046913	NNNHFW 	C38H46N12O10	830.346	NA	PeJP	NA	NA
+PJ046914	SSSKEMY 	C34H54N8O14S	830.348	NA	PeJP	NA	NA
+PJ046915	GAPPTEEM 	C34H54N8O14S	830.3481	NA	PeJP	NA	NA
+PJ046916	PPEYYY 	C42H50N6O12	830.3487	NA	PeJP	NA	NA
+PJ046917	QKMMMY 	C35H58N8O9S3	830.3489	NA	PeJP	NA	NA
+PJ046918	SDMHRW 	C35H50N12O10S	830.3494	NA	PeJP	NA	NA
+PJ046919	SSSEEHR 	C31H50N12O15	830.3519	NA	PeJP	NA	NA
+PJ046920	LEEMFY 	C39H54N6O12S	830.3521	NA	PeJP	NA	NA
+PJ046921	QEMMHR 	C32H54N12O10S2	830.3528	NA	PeJP	NA	NA
+PJ046922	ATMHWW 	C40H50N10O8S	830.3534	NA	PeJP	NA	NA
+PJ046923	PDEERW 	C36H50N10O13	830.3559	NA	PeJP	NA	NA
+PJ046924	VQMMHW 	C37H54N10O8S2	830.3568	NA	PeJP	NA	NA
+PJ046925	SQHHHW 	C37H46N14O9	830.3572	NA	PeJP	NA	NA
+PJ046926	TNHHHW 	C37H46N14O9	830.3573	NA	PeJP	NA	NA
+PJ046927	SSSTMRY 	C33H54N10O13S	830.3593	NA	PeJP	NA	NA
+PJ046928	PVDEWW 	C41H50N8O11	830.3599	NA	PeJP	NA	NA
+PJ046929	GGGAEFFF 	C41H50N8O11	830.36	NA	PeJP	NA	NA
+PJ046930	CKMMRY 	C34H58N10O8S3	830.3602	NA	PeJP	NA	NA
+PJ046931	AAQMHHH 	C34H50N14O9S	830.3606	NA	PeJP	NA	NA
+PJ046932	GSSSSNHR 	C30H50N14O14	830.3631	NA	PeJP	NA	NA
+PJ046933	GGGGGGGQER 	C30H50N14O14	830.3632	NA	PeJP	NA	NA
+PJ046934	APPTEMW 	C38H54N8O11S	830.3633	NA	PeJP	NA	NA
+PJ046935	CEMHRR 	C31H54N14O9S2	830.364	NA	PeJP	NA	NA
+PJ046936	SSSSSTLY 	C34H54N8O16	830.3658	NA	PeJP	NA	NA
+PJ046937	GTTKMMY 	C35H58N8O11S2	830.3667	NA	PeJP	NA	NA
+PJ046938	GSPNDRW 	C35H50N12O12	830.3671	NA	PeJP	NA	NA
+PJ046939	GGGSPDRW 	C35H50N12O12	830.3672	NA	PeJP	NA	NA
+PJ046940	AMMHRW 	C36H54N12O7S2	830.368	NA	PeJP	NA	NA
+PJ046941	GTTEMHR 	C32H54N12O12S	830.3705	NA	PeJP	NA	NA
+PJ046942	GGGGGGGGPKM 	C32H54N12O12S	830.3706	NA	PeJP	NA	NA
+PJ046943	TTTHWW 	C40H50N10O10	830.3712	NA	PeJP	NA	NA
+PJ046944	NMHHHR 	C33H50N16O8S	830.3719	NA	PeJP	NA	NA
+7887	peptide from aS1-casein	YFYPEL	830.372	antibacterial	Inhouse_peptide	NA	peptide
+MJ095747	Entandrophragmin; Deepoxy 	C43H58O16	830.372485	NA	MeJP	NA	NA
+PJ046945	TKEMHW 	C37H54N10O10S	830.3745	NA	PeJP	NA	NA
+PJ046946	GGGPVQMW 	C37H54N10O10S	830.3746	NA	PeJP	NA	NA
+PJ046947	GQFFFW 	C45H50N8O8	830.3752	NA	PeJP	NA	NA
+PJ046948	APTEEER 	C33H54N10O15	830.377	NA	PeJP	NA	NA
+PJ046949	GGGGPTKEE 	C33H54N10O15	830.3771	NA	PeJP	NA	NA
+PJ046950	APPEMMR 	C34H58N10O10S2	830.3779	NA	PeJP	NA	NA
+MJ095748	Lycopose 	C36H62O21	830.378359	NA	MeJP	NA	NA
+PJ046951	NNNQRW 	C34H50N14O11	830.3784	NA	PeJP	NA	NA
+PJ046952	GKMFYW 	C42H54N8O8S	830.3786	NA	PeJP	NA	NA
+PJ046953	ASSLQYY 	C38H54N8O13	830.381	NA	PeJP	NA	NA
+PJ046954	GPTLEEW 	C38H54N8O13	830.3811	NA	PeJP	NA	NA
+PJ046955	SSCNKHR 	C31H54N14O11S	830.3817	NA	PeJP	NA	NA
+PJ046956	GPCNERR 	C31H54N14O11S	830.3818	NA	PeJP	NA	NA
+PJ046957	GPPLMMW 	C39H58N8O8S2	830.3819	NA	PeJP	NA	NA
+PJ046958	GEHFRW 	C39H50N12O9	830.3824	NA	PeJP	NA	NA
+PJ046959	STTTKMY 	C35H58N8O13S	830.3844	NA	PeJP	NA	NA
+PJ046960	GGPVLEEM 	C35H58N8O13S	830.3845	NA	PeJP	NA	NA
+PJ046961	PLEFYY 	C43H54N6O11	830.3851	NA	PeJP	NA	NA
+PJ046962	KKMMMY 	C36H62N8O8S3	830.3853	NA	PeJP	NA	NA
+PJ046963	TTMHRW 	C36H54N12O9S	830.3858	NA	PeJP	NA	NA
+PJ046964	GVHFWW 	C44H50N10O7	830.3864	NA	PeJP	NA	NA
+PJ046965	STTTEHR 	C32H54N12O14	830.3883	NA	PeJP	NA	NA
+PJ046966	LLEMYY 	C40H58N6O11S	830.3885	NA	PeJP	NA	NA
+PJ046967	ATCLMHR 	C33H58N12O9S2	830.3891	NA	PeJP	NA	NA
+PJ046968	KEMMHR 	C33H58N12O9S2	830.3892	NA	PeJP	NA	NA
+PJ046969	GSTHHHR 	C33H50N16O10	830.3896	NA	PeJP	NA	NA
+PJ046970	LMHHFF 	C41H54N10O7S	830.3898	NA	PeJP	NA	NA
+PJ046971	SSTTLHW 	C37H54N10O12	830.3923	NA	PeJP	NA	NA
+PJ046972	VKMMHW 	C38H58N10O7S2	830.3932	NA	PeJP	NA	NA
+PJ046973	SKHHHW 	C38H50N14O8	830.3936	NA	PeJP	NA	NA
+MJ095749	12-Oleanene-3,15,16,21,22,28-hexol, 21 (or 22)-Angeloyl, 22 (or 21)-tigloyl 	C40H62O18	830.393615	NA	MeJP	NA	NA
+PJ046974	GPLEEMR 	C34H58N10O12S	830.3957	NA	PeJP	NA	NA
+MJ095750	Hymenamide B 	C42H54N8O10	830.396289	NA	MeJP	NA	NA
+PJ046975	PTLEWW 	C42H54N8O10	830.3963	NA	PeJP	NA	NA
+PJ046976	PCNRRW 	C35H54N14O8S	830.397	NA	PeJP	NA	NA
+PJ046977	HFRWW 	C43H50N12O6	830.3977	NA	PeJP	NA	NA
+PJ046978	NQEERR 	C31H54N14O13	830.3995	NA	PeJP	NA	NA
+PJ046979	GPVLEMW 	C39H58N8O10S	830.3997	NA	PeJP	NA	NA
+PJ046980	TMMHRR 	C32H58N14O8S2	830.4004	NA	PeJP	NA	NA
+PJ046981	SPLKEEE 	C35H58N8O15	830.4022	NA	PeJP	NA	NA
+PJ046982	PPVKEMM 	C36H62N8O10S2	830.4031	NA	PeJP	NA	NA
+PJ046983	VNQERW 	C36H54N12O11	830.4035	NA	PeJP	NA	NA
+PJ046984	GGGGLERW 	C36H54N12O11	830.4036	NA	PeJP	NA	NA
+PJ046985	SSTLMHR 	C33H58N12O11S	830.4069	NA	PeJP	NA	NA
+PJ046986	ALQQWW 	C41H54N10O9	830.4075	NA	PeJP	NA	NA
+PJ046987	SPQKWW 	C41H54N10O9	830.4076	NA	PeJP	NA	NA
+PJ046988	GSNNQRR 	C30H54N16O12	830.4107	NA	PeJP	NA	NA
+PJ046989	NDDRRR 	C30H54N16O12	830.4108	NA	PeJP	NA	NA
+PJ046990	PLEMRW 	C38H58N10O9S	830.4109	NA	PeJP	NA	NA
+PJ046991	PPVFWW 	C46H54N8O7	830.4116	NA	PeJP	NA	NA
+MJ095751	3-Hydroxy-27-nor-12-ursen-28-oic acid, 3-O-(2-O-Sulfo-6-deoxy-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester 	C41H66O15S	830.412242	NA	MeJP	NA	NA
+PJ046992	GVLEEER 	C34H58N10O14	830.4134	NA	PeJP	NA	NA
+PJ046993	GGGAALKEE 	C34H58N10O14	830.4135	NA	PeJP	NA	NA
+PJ046994	SPPLMMR 	C35H62N10O9S2	830.4143	NA	PeJP	NA	NA
+MJ095752	11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C37H66O20	830.414744	NA	MeJP	NA	NA
+PJ046995	GQERRW 	C35H54N14O10	830.4148	NA	PeJP	NA	NA
+PJ046996	PVLMWW 	C43H58N8O7S	830.415	NA	PeJP	NA	NA
+MJ095753	N-Deacyltunicamycin; N4''-(12-Methyl-2-tetradecenoyl) 	C38H62N4O16	830.416081	NA	MeJP	NA	NA
+MJ095754	N-Deacyltunicamycin; N4''-(13-Methyl-2-tetradecenoyl) 	C38H62N4O16	830.416081	NA	MeJP	NA	NA
+MJ095755	N-Deacyltunicamycin; N4''-(2-Pentadecenoyl) 	C38H62N4O16	830.416081	NA	MeJP	NA	NA
+PJ046997	SSPLLEW 	C39H58N8O12	830.4174	NA	PeJP	NA	NA
+PJ046998	AALLEEW 	C39H58N8O12	830.4175	NA	PeJP	NA	NA
+PJ046999	GSPQMRR 	C32H58N14O10S	830.4181	NA	PeJP	NA	NA
+PJ047000	GGGPTMRR 	C32H58N14O10S	830.4182	NA	PeJP	NA	NA
+PJ047001	KKMMFF 	C40H62N8O7S2	830.4183	NA	PeJP	NA	NA
+PJ047002	GVQRWW 	C40H54N12O8	830.4188	NA	PeJP	NA	NA
+PJ047003	PVVKEEM 	C36H62N8O12S	830.4208	NA	PeJP	NA	NA
+PJ047004	PLLYYY 	C44H58N6O10	830.4215	NA	PeJP	NA	NA
+PJ047005	PNKMRW 	C37H58N12O8S	830.4222	NA	PeJP	NA	NA
+PJ047006	PTTTQQR 	C33H58N12O13	830.4246	NA	PeJP	NA	NA
+PJ047007	LEEERR 	C33H58N12O13	830.4247	NA	PeJP	NA	NA
+PJ047008	PPCCKKR 	C34H62N12O8S2	830.4255	NA	PeJP	NA	NA
+PJ047009	PEHHRR 	C34H54N16O9	830.426	NA	PeJP	NA	NA
+PJ047010	VLEERW 	C38H58N10O11	830.4287	NA	PeJP	NA	NA
+PJ047011	GSPCRRR 	C31H58N16O9S	830.4294	NA	PeJP	NA	NA
+PJ047012	QRRWW 	C39H54N14O7	830.43	NA	PeJP	NA	NA
+PJ047013	SPLQQKM 	C35H62N10O11S	830.432	NA	PeJP	NA	NA
+PJ047014	SPVLEMR 	C35H62N10O11S	830.4321	NA	PeJP	NA	NA
+PJ047015	VVLEWW 	C43H58N8O9	830.4327	NA	PeJP	NA	NA
+PJ047016	CLHFRR 	C36H58N14O7S	830.4334	NA	PeJP	NA	NA
+PJ047017	NKEERR 	C32H58N14O12	830.4359	NA	PeJP	NA	NA
+PJ047018	APTLLMW 	C40H62N8O9S	830.4361	NA	PeJP	NA	NA
+PJ047019	ALLKEEE 	C36H62N8O14	830.4386	NA	PeJP	NA	NA
+PJ047020	PVLLQMM 	C37H66N8O9S2	830.4395	NA	PeJP	NA	NA
+PJ047021	VNKERW 	C37H58N12O10	830.4399	NA	PeJP	NA	NA
+PJ047022	GPDKKMR 	C34H62N12O10S	830.4433	NA	PeJP	NA	NA
+PJ047023	SPKKWW 	C42H58N10O8	830.4439	NA	PeJP	NA	NA
+PJ047024	GGVVKWW 	C42H58N10O8	830.444	NA	PeJP	NA	NA
+PJ047025	SQERRR 	C31H58N16O11	830.4471	NA	PeJP	NA	NA
+PJ047026	GGGGGSKRR 	C31H58N16O11	830.4472	NA	PeJP	NA	NA
+PJ047027	AAPKKMW 	C39H62N10O8S	830.4473	NA	PeJP	NA	NA
+PJ047028	ATLLEER 	C35H62N10O13	830.4498	NA	PeJP	NA	NA
+PJ047029	APLLMMR 	C36H66N10O8S2	830.4507	NA	PeJP	NA	NA
+PJ047030	GKERRW 	C36H58N14O9	830.4512	NA	PeJP	NA	NA
+PJ047031	GTLLLEW 	C40H62N8O11	830.4538	NA	PeJP	NA	NA
+PJ047032	GGPVLLEF 	C40H62N8O11	830.4539	NA	PeJP	NA	NA
+PJ047033	GSPKMRR 	C33H62N14O9S	830.4545	NA	PeJP	NA	NA
+PJ047034	GVKRWW 	C41H58N12O7	830.4552	NA	PeJP	NA	NA
+PJ047035	PTLLKEM 	C37H66N8O11S	830.4572	NA	PeJP	NA	NA
+PJ047036	LLLFYY 	C45H62N6O9	830.4579	NA	PeJP	NA	NA
+PJ047037	LKMHFR 	C38H62N12O7S	830.4585	NA	PeJP	NA	NA
+PJ047038	SSPKKER 	C34H62N12O12	830.461	NA	PeJP	NA	NA
+PJ047039	AAKKEER 	C34H62N12O12	830.4611	NA	PeJP	NA	NA
+PJ047040	GTRRRW 	C35H58N16O8	830.4624	NA	PeJP	NA	NA
+PJ047041	LQKKEW 	C39H62N10O10	830.4651	NA	PeJP	NA	NA
+PJ047042	VNMRRR 	C32H62N16O8S	830.4658	NA	PeJP	NA	NA
+MJ095756	3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H70O16	830.466386	NA	MeJP	NA	NA
+MJ095757	Furostane-3,14,17,22,26-pentol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H70O16	830.466386	NA	MeJP	NA	NA
+MJ095758	Lankamycin; 15-Ketone 	C42H70O16	830.466386	NA	MeJP	NA	NA
+MJ095759	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C42H70O16	830.466386	NA	MeJP	NA	NA
+PJ047043	KRRWW 	C40H58N14O6	830.4664	NA	PeJP	NA	NA
+PJ047044	VVVVEMR 	C36H66N10O10S	830.4684	NA	PeJP	NA	NA
+PJ047045	GLLLEMR 	C36H66N10O10S	830.4685	NA	PeJP	NA	NA
+PJ047046	TLLLWW 	C44H62N8O8	830.4691	NA	PeJP	NA	NA
+PJ047047	DKKERR 	C33H62N14O11	830.4723	NA	PeJP	NA	NA
+PJ047048	GVLLLMW 	C41H66N8O8S	830.4725	NA	PeJP	NA	NA
+PJ047049	SLLLKEE 	C37H66N8O13	830.475	NA	PeJP	NA	NA
+PJ047050	PVLLKMM 	C38H70N8O8S2	830.4758	NA	PeJP	NA	NA
+PJ047051	VDKKRW 	C38H62N12O9	830.4763	NA	PeJP	NA	NA
+PJ047052	GMRRRR 	C31H62N18O7S	830.477	NA	PeJP	NA	NA
+PJ047053	APTKKMR 	C35H66N12O9S	830.4797	NA	PeJP	NA	NA
+PJ047054	ALKKWW 	C43H62N10O7	830.4803	NA	PeJP	NA	NA
+PJ047055	SKERRR 	C32H62N16O10	830.4835	NA	PeJP	NA	NA
+PJ047056	LLLMRW 	C40H66N10O7S	830.4837	NA	PeJP	NA	NA
+PJ047057	STLLLER 	C36H66N10O12	830.4862	NA	PeJP	NA	NA
+PJ047058	SVKRRW 	C37H62N14O8	830.4875	NA	PeJP	NA	NA
+PJ047059	GAPKFRR 	C37H62N14O8	830.4876	NA	PeJP	NA	NA
+PJ047060	SSLLLLW 	C41H66N8O10	830.4902	NA	PeJP	NA	NA
+PJ047061	LQKMRR 	C34H66N14O8S	830.4909	NA	PeJP	NA	NA
+PJ047062	VVLLKEM 	C38H70N8O10S	830.4936	NA	PeJP	NA	NA
+PJ047063	STRRRR 	C31H62N18O9	830.4948	NA	PeJP	NA	NA
+PJ047064	GTLKKER 	C35H66N12O11	830.4974	NA	PeJP	NA	NA
+PJ047065	GGGKKKKE 	C35H66N12O11	830.4975	NA	PeJP	NA	NA
+PJ047066	LLHHRR 	C36H62N16O7	830.4988	NA	PeJP	NA	NA
+PJ047067	LKKKEW 	C40H66N10O9	830.5015	NA	PeJP	NA	NA
+PJ047068	CLKRRR 	C33H66N16O7S	830.5022	NA	PeJP	NA	NA
+PJ047069	SVLLLMR 	C37H70N10O9S	830.5048	NA	PeJP	NA	NA
+PJ047070	GTTLKRR 	C34H66N14O10	830.5087	NA	PeJP	NA	NA
+PJ047071	ASTTLLLL 	C38H70N8O12	830.5113	NA	PeJP	NA	NA
+PJ047072	GTTTLLLL 	C38H70N8O12	830.5114	NA	PeJP	NA	NA
+PJ047073	TLKKRW 	C39H66N12O8	830.5127	NA	PeJP	NA	NA
+PJ047074	GVLKKMR 	C36H70N12O8S	830.5161	NA	PeJP	NA	NA
+PJ047075	SVLKKKE 	C37H70N10O11	830.5226	NA	PeJP	NA	NA
+PJ047076	PKKFRR 	C38H66N14O7	830.5239	NA	PeJP	NA	NA
+PJ047077	PVVLLKY 	C42H70N8O9	830.5266	NA	PeJP	NA	NA
+PJ047078	LKKMRR 	C35H70N14O7S	830.5273	NA	PeJP	NA	NA
+PJ047079	TLLLLKM 	C39H74N8O9S	830.53	NA	PeJP	NA	NA
+PJ047080	SSLLKKR 	C36H70N12O10	830.5338	NA	PeJP	NA	NA
+PJ047081	GLLLLFR 	C41H70N10O8	830.5378	NA	PeJP	NA	NA
+PJ047082	ALLKKKM 	C38H74N10O8S	830.5412	NA	PeJP	NA	NA
+PJ047083	GSKKKKR 	C35H70N14O9	830.5451	NA	PeJP	NA	NA
+PJ047084	TTLLKKK 	C38H74N10O10	830.559	NA	PeJP	NA	NA
+PJ047085	VVLLLKF 	C43H74N8O8	830.563	NA	PeJP	NA	NA
+PJ047086	ATKKKKK 	C37H74N12O9	830.5702	NA	PeJP	NA	NA
+MJ095760	Crambescidin 830 	C46H82N6O7	830.624499	NA	MeJP	NA	NA
+EUR1107	SM(d18:1/22:1) [M+FA-H]-	C45H89N2O6P	830.650706	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1107	SM(d18:1/22:1) [M+FA-H]-	C45H89N2O6P	830.650706	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1107	SM(d18:1/22:1) [M+FA-H]-	C45H89N2O6P	830.650706	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1107	SM(d18:1/22:1) [M+FA-H]-	C45H89N2O6P	830.650706	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095761	2-Amino-14-methyl-1,3,4-pentadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C46H90N2O10	830.659547	NA	MeJP	NA	NA
+MJ095762	Amphicerebrosides; Amphicerebroside D 	C47H94N2O9	830.695932	NA	MeJP	NA	NA
+MJ095763	Archaeol; 3''-Hydroxy, 1-O-?-D-glucopyranoside 	C49H98O9	830.721084	NA	MeJP	NA	NA
+HMDB05362	TG(16:0/16:0/18:2(9Z,12Z))[iso3]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB05377	TG(16:0/16:1(9Z)/18:1(9Z))[iso6]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB05430	TG(16:1(9Z)/16:1(9Z)/18:0)[iso3]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB10423	TG(16:1(9Z)/16:0/18:1(11Z))[iso6]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB10430	TG(18:0/14:0/18:2(9Z,12Z))[iso6]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB10434	TG(18:1(11Z)/14:0/18:1(11Z))[iso3]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB10435	TG(18:1(11Z)/14:0/18:1(9Z))[iso6]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB10448	TG(18:1(9Z)/14:0/18:1(9Z))[iso3]	C53H98O6	830.736328	NA	HMDB2010	NA	NA
+HMDB05362	TG(16:0/16:0/18:2(9Z,12Z))[iso3]	C53H98O6	830.73633	http://www.hmdb.ca/metabolites/HMDB05362	HMDB	NA	NA
+HMDB05377	TG(16:0/16:1(9Z)/18:1(9Z))[iso6]	C53H98O6	830.73633	http://www.hmdb.ca/metabolites/HMDB05377	HMDB	NA	NA
+HMDB05430	TG(16:1(9Z)/16:1(9Z)/18:0)[iso3]	C53H98O6	830.73633	http://www.hmdb.ca/metabolites/HMDB05430	HMDB	NA	NA
+HMDB05362	TG(16:0/16:0/18:2(9Z,12Z))[iso3]	C53H98O6	830.73633	HMDB05362	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05377	TG(16:0/16:1(9Z)/18:1(9Z))[iso6]	C53H98O6	830.73633	HMDB05377	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05430	TG(16:1(9Z)/16:1(9Z)/18:0)[iso3]	C53H98O6	830.73633	HMDB05430	PFEM_hmdb_metabocards_official	NA	NA
+MJ095764	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dihexadecanoate 3-(6Z,9Z-octadecadienoate) 	C53H98O6	830.73634	NA	MeJP	NA	NA
+PJ047087	GCCCCNDD 	C26H41N9O14S4	831.1656	NA	PeJP	NA	NA
+PJ047088	SPCCCCCN 	C27H45N9O11S5	831.1842	NA	PeJP	NA	NA
+PJ047089	CCDDDMM 	C28H45N7O14S4	831.1908	NA	PeJP	NA	NA
+PJ047090	GSCCCNDM 	C27H45N9O13S4	831.202	NA	PeJP	NA	NA
+PJ047091	CCDDDDF 	C31H41N7O16S2	831.2052	NA	PeJP	NA	NA
+PJ047092	CCCDDHH 	C29H41N11O12S3	831.2099	NA	PeJP	NA	NA
+PJ047093	SCCCCQW 	C31H45N9O10S4	831.2172	NA	PeJP	NA	NA
+PJ047094	GGTCCCCW 	C31H45N9O10S4	831.2173	NA	PeJP	NA	NA
+PJ047095	SSSCCCNE 	C27H45N9O15S3	831.2198	NA	PeJP	NA	NA
+PJ047096	CCCNQMM 	C28H49N9O10S5	831.2206	NA	PeJP	NA	NA
+PJ047097	SCDDDDY 	C31H41N7O18S	831.2229	NA	PeJP	NA	NA
+PJ047098	PCCCDEY 	C32H45N7O13S3	831.2238	NA	PeJP	NA	NA
+PJ047099	SCDDMMM 	C29H49N7O13S4	831.2271	NA	PeJP	NA	NA
+PJ047100	CCCCNMR 	C27H49N11O9S5	831.2319	NA	PeJP	NA	NA
+FL7AADGL0016	Alatanin 2	C39H43O20	831.23476	131189-51-0	knapsack	NA	NA
+PJ047101	GSSSCCCW 	C31H45N9O12S3	831.235	NA	PeJP	NA	NA
+PJ047102	GSSSSSCCD 	C27H45N9O17S2	831.2375	NA	PeJP	NA	NA
+PJ047103	GSSCCNMM 	C28H49N9O12S4	831.2384	NA	PeJP	NA	NA
+PJ047104	GCDDEMY 	C32H45N7O15S2	831.2415	NA	PeJP	NA	NA
+PJ047105	PCCCEMF 	C33H49N7O10S4	831.2424	NA	PeJP	NA	NA
+PJ047106	CNNDDDH 	C29H41N11O16S	831.2454	NA	PeJP	NA	NA
+PJ047107	GCEMMMM 	C30H53N7O10S5	831.2458	NA	PeJP	NA	NA
+PJ047108	SCCDMHH 	C30H45N11O11S3	831.2462	NA	PeJP	NA	NA
+PJ047109	GSTCCCCR 	C27H49N11O11S4	831.2496	NA	PeJP	NA	NA
+PJ047110	GCCCNFW 	C35H45N9O9S3	831.2503	NA	PeJP	NA	NA
+PJ047111	SDDDDEH 	C30H41N9O19	831.2519	NA	PeJP	NA	NA
+PJ047112	SCCNNEY 	C31H45N9O14S2	831.2528	NA	PeJP	NA	NA
+PJ047113	SCCCCKW 	C32H49N9O9S4	831.2536	NA	PeJP	NA	NA
+PJ047114	SSSSCCQM 	C28H49N9O14S3	831.2561	NA	PeJP	NA	NA
+PJ047115	CDDMYW 	C36H45N7O12S2	831.2568	NA	PeJP	NA	NA
+PJ047116	CCCNKMM 	C29H53N9O9S5	831.257	NA	PeJP	NA	NA
+MJ095765	Perdeacylhypoglaunine; 8-(3-Furancarbonyl), 1,6,9,14-tetra-Ac 	C39H45NO19	831.258578	NA	MeJP	NA	NA
+MJ095766	Perdeacylwilfortrine; 2-O-(3-Furancarbonyl), 6,8,9,14-tetra-Ac 	C39H45NO19	831.258578	NA	MeJP	NA	NA
+PJ047117	SSDDDMY 	C32H45N7O17S	831.2593	NA	PeJP	NA	NA
+PJ047118	SPCCEMY 	C33H49N7O12S3	831.2602	NA	PeJP	NA	NA
+PJ047119	CMMMMW 	C34H53N7O7S5	831.261	NA	PeJP	NA	NA
+PJ047120	SSDMMMM 	C30H53N7O12S4	831.2635	NA	PeJP	NA	NA
+PJ047121	GSPCCNDH 	C30H45N11O13S2	831.264	NA	PeJP	NA	NA
+PJ047122	ACCMMHH 	C31H49N11O8S4	831.2649	NA	PeJP	NA	NA
+PJ047123	SSSSCCCR 	C27H49N11O13S3	831.2674	NA	PeJP	NA	NA
+PJ047124	GSCCNYW 	C35H45N9O11S2	831.268	NA	PeJP	NA	NA
+PJ047125	GSSSCNDY 	C31H45N9O16S	831.2705	NA	PeJP	NA	NA
+PJ047126	GGGPPCDDD 	C31H45N9O16S	831.2706	NA	PeJP	NA	NA
+PJ047127	GCNNMMY 	C32H49N9O11S3	831.2714	NA	PeJP	NA	NA
+PJ047128	GSSSSSSCM 	C28H49N9O16S2	831.2739	NA	PeJP	NA	NA
+PJ047129	GPCDDYY 	C36H45N7O14S	831.2746	NA	PeJP	NA	NA
+PJ047130	GSTCCCKM 	C29H53N9O11S4	831.2748	NA	PeJP	NA	NA
+PJ047131	CCNNNQH 	C29H45N13O12S2	831.2752	NA	PeJP	NA	NA
+PJ047132	GGGGGGCCQH 	C29H45N13O12S2	831.2753	NA	PeJP	NA	NA
+PJ047133	CDMMFW 	C37H49N7O9S3	831.2754	NA	PeJP	NA	NA
+PJ047134	GSDEMMY 	C33H49N7O14S2	831.2779	NA	PeJP	NA	NA
+PJ047135	GPCMMMY 	C34H53N7O9S4	831.2788	NA	PeJP	NA	NA
+PJ047136	GCCEHHF 	C34H45N11O10S2	831.2793	NA	PeJP	NA	NA
+PJ047137	SNNDDMH 	C30H45N11O15S	831.2818	NA	PeJP	NA	NA
+PJ047138	GTMMMMM 	C31H57N7O9S5	831.2822	NA	PeJP	NA	NA
+PJ047139	GCCCQRY 	C31H49N11O10S3	831.2826	NA	PeJP	NA	NA
+PJ047140	GGGAPCCMH 	C31H49N11O10S3	831.2827	NA	PeJP	NA	NA
+PJ047141	DDEMHW 	C35H45N9O13S	831.2858	NA	PeJP	NA	NA
+PJ047142	SSDEEEH 	C31H45N9O18	831.2883	NA	PeJP	NA	NA
+PJ047143	SSCNQMY 	C32H49N9O13S2	831.2891	NA	PeJP	NA	NA
+PJ047144	GGSSCQMY 	C32H49N9O13S2	831.2892	NA	PeJP	NA	NA
+PJ047145	GDDDHHH 	C32H41N13O14	831.2896	NA	PeJP	NA	NA
+PJ047146	CDDFFW 	C40H45N7O11S	831.2898	NA	PeJP	NA	NA
+PJ047147	SSSSSSSTC 	C28H49N9O18S	831.2916	NA	PeJP	NA	NA
+PJ047148	NDEEYY 	C36H45N7O16	831.2923	NA	PeJP	NA	NA
+PJ047149	SSSSCCKM 	C29H53N9O13S3	831.2925	NA	PeJP	NA	NA
+PJ047150	GSSCNNNH 	C29H45N13O14S	831.293	NA	PeJP	NA	NA
+PJ047151	SDMMYW 	C37H49N7O11S2	831.2932	NA	PeJP	NA	NA
+PJ047152	PCCCNHR 	C30H49N13O9S3	831.2939	NA	PeJP	NA	NA
+PJ047153	CCHHFW 	C38H45N11O7S2	831.2945	NA	PeJP	NA	NA
+PJ047154	SSSEEMY 	C33H49N7O16S	831.2957	NA	PeJP	NA	NA
+PJ047155	QEMMMY 	C34H53N7O11S3	831.2965	NA	PeJP	NA	NA
+PJ047156	ACCLEMY 	C34H53N7O11S3	831.2966	NA	PeJP	NA	NA
+PJ047157	GSCNEHW 	C34H45N11O12S	831.297	NA	PeJP	NA	NA
+MJ095767	Hodydamycin 	C40H50ClN3O14	831.298131	NA	MeJP	NA	NA
+PJ047158	GSSSNDEH 	C30H45N11O17	831.2995	NA	PeJP	NA	NA
+PJ047159	GGGGGGGSPDD 	C30H45N11O17	831.2996	NA	PeJP	NA	NA
+PJ047160	STTMMMM 	C31H57N7O11S4	831.2999	NA	PeJP	NA	NA
+PJ047161	SSCCNRY 	C31H49N11O12S2	831.3004	NA	PeJP	NA	NA
+PJ047162	GPNDDEW 	C35H45N9O15	831.3035	NA	PeJP	NA	NA
+PJ047163	GGGPDDEW 	C35H45N9O15	831.3036	NA	PeJP	NA	NA
+PJ047164	GCNNMFF 	C36H49N9O10S2	831.3044	NA	PeJP	NA	NA
+PJ047165	GSSSSNMY 	C32H49N9O15S	831.3069	NA	PeJP	NA	NA
+PJ047166	GDEYYW 	C40H45N7O13	831.3076	NA	PeJP	NA	NA
+PJ047167	CEMMRY 	C33H53N9O10S3	831.3078	NA	PeJP	NA	NA
+PJ047168	SPCDHHH 	C33H45N13O11S	831.3083	NA	PeJP	NA	NA
+PJ047169	NNNNNNE 	C29H45N13O16	831.3107	NA	PeJP	NA	NA
+PJ047170	GGNNNNNE 	C29H45N13O16	831.3108	NA	PeJP	NA	NA
+PJ047171	GSPDMYY 	C37H49N7O13S	831.3109	NA	PeJP	NA	NA
+PJ047172	GCNDMHR 	C30H49N13O11S2	831.3116	NA	PeJP	NA	NA
+PJ047173	GGGGGGCCKH 	C30H49N13O11S2	831.3117	NA	PeJP	NA	NA
+PJ047174	AMMMYW 	C38H53N7O8S3	831.3118	NA	PeJP	NA	NA
+PJ047175	SCNHWW 	C38H45N11O9S	831.3123	NA	PeJP	NA	NA
+PJ047176	APEEEEE 	C33H49N7O18	831.3134	NA	PeJP	NA	NA
+PJ047177	PVDDEEE 	C33H49N7O18	831.3135	NA	PeJP	NA	NA
+PJ047178	GTTEMMY 	C34H53N7O13S2	831.3143	NA	PeJP	NA	NA
+PJ047179	SSSNDHW 	C34H45N11O14	831.3148	NA	PeJP	NA	NA
+PJ047180	AAMMMMF 	C35H57N7O8S4	831.3152	NA	PeJP	NA	NA
+PJ047181	NNMMHW 	C35H49N11O9S2	831.3156	NA	PeJP	NA	NA
+MJ095768	Eptifibatide 	C35H49N11O9S2	831.315613	NA	MeJP	NA	NA
+PJ047182	GGNMMHW 	C35H49N11O9S2	831.3157	NA	PeJP	NA	NA
+PJ047183	SSNQEMH 	C31H49N11O14S	831.3181	NA	PeJP	NA	NA
+PJ047184	GGSSQEMH 	C31H49N11O14S	831.3182	NA	PeJP	NA	NA
+PJ047185	PNDDWW 	C39H45N9O12	831.3188	NA	PeJP	NA	NA
+PJ047186	GCCCKRY 	C32H53N11O9S3	831.319	NA	PeJP	NA	NA
+PJ047187	GCNQHHH 	C32H45N15O10S	831.3195	NA	PeJP	NA	NA
+PJ047188	TEEMHW 	C36H49N9O12S	831.3222	NA	PeJP	NA	NA
+PJ047189	DYYWW 	C44H45N7O10	831.3228	NA	PeJP	NA	NA
+PJ047190	PMMMHW 	C37H53N9O7S3	831.323	NA	PeJP	NA	NA
+PJ047191	SSSSSSQY 	C32H49N9O17	831.3246	NA	PeJP	NA	NA
+PJ047192	SSSSSTNY 	C32H49N9O17	831.3247	NA	PeJP	NA	NA
+PJ047193	SSCNKMY 	C33H53N9O12S2	831.3255	NA	PeJP	NA	NA
+PJ047194	VVCDEMH 	C33H53N9O12S2	831.3256	NA	PeJP	NA	NA
+PJ047195	GNNNNNW 	C33H45N13O13	831.326	NA	PeJP	NA	NA
+PJ047196	GGGGGGGGGGGW 	C33H45N13O13	831.3261	NA	PeJP	NA	NA
+PJ047197	PTCYYW 	C41H49N7O10S	831.3262	NA	PeJP	NA	NA
+PJ047198	CCQHRW 	C34H49N13O8S2	831.3269	NA	PeJP	NA	NA
+PJ047199	TQEEYY 	C37H49N7O15	831.3287	NA	PeJP	NA	NA
+PJ047200	SSCNEHR 	C30H49N13O13S	831.3294	NA	PeJP	NA	NA
+PJ047201	TTMMYW 	C38H53N7O10S2	831.3296	NA	PeJP	NA	NA
+PJ047202	NNDHFW 	C38H45N11O11	831.33	NA	PeJP	NA	NA
+PJ047203	GGGGDHFW 	C38H45N11O11	831.3301	NA	PeJP	NA	NA
+MJ095769	Marcellomycin; N-De-Me 	C41H53NO17	831.331349	NA	MeJP	NA	NA
+PJ047204	STTTEMY 	C34H53N7O15S	831.332	NA	PeJP	NA	NA
+PJ047205	TTTTDMY 	C34H53N7O15S	831.3321	NA	PeJP	NA	NA
+PJ047206	KEMMMY 	C35H57N7O10S3	831.3329	NA	PeJP	NA	NA
+PJ047207	GSSQMHW 	C35H49N11O11S	831.3334	NA	PeJP	NA	NA
+PJ047208	SPNDDER 	C31H49N11O16	831.3359	NA	PeJP	NA	NA
+PJ047209	EEMMHR 	C32H53N11O11S2	831.3368	NA	PeJP	NA	NA
+PJ047210	SSNNHHH 	C32H45N15O12	831.3372	NA	PeJP	NA	NA
+PJ047211	GGSSNHHH 	C32H45N15O12	831.3373	NA	PeJP	NA	NA
+PJ047212	GSPPCWW 	C40H49N9O9S	831.3374	NA	PeJP	NA	NA
+PJ047213	GSPQEEW 	C36H49N9O14	831.3399	NA	PeJP	NA	NA
+PJ047214	VEMMHW 	C37H53N9O9S2	831.3408	NA	PeJP	NA	NA
+PJ047215	SEHHHW 	C37H45N13O10	831.3413	NA	PeJP	NA	NA
+PJ047216	MFYWW 	C45H49N7O7S	831.3414	NA	PeJP	NA	NA
+PJ047217	GSSSTCKY 	C33H53N9O14S	831.3433	NA	PeJP	NA	NA
+PJ047218	ATEYYW 	C41H49N7O12	831.3439	NA	PeJP	NA	NA
+PJ047219	GGEEFFF 	C41H49N7O12	831.344	NA	PeJP	NA	NA
+PJ047220	TMMMRY 	C34H57N9O9S3	831.3442	NA	PeJP	NA	NA
+PJ047221	GSSCHRW 	C34H49N13O10S	831.3446	NA	PeJP	NA	NA
+PJ047222	GVDMHHH 	C34H49N13O10S	831.3447	NA	PeJP	NA	NA
+PJ047223	AMMFFW 	C42H53N7O7S2	831.3448	NA	PeJP	NA	NA
+C10579	Cephalomannine	C45H53NO14	831.3466	NA	KEGG	NA	NA
+MJ095770	Taxol?; 2-Debenzoyl, 2-tigloyl 	C45H53NO14	831.346605	NA	MeJP	NA	NA
+MJ095771	Taxol?; 7-Epimer, N-debenzoyl, N-tigloyl 	C45H53NO14	831.346605	NA	MeJP	NA	NA
+MJ095772	Taxol?; N-Debenzoyl, N-tigloyl 	C45H53NO14	831.346605	NA	MeJP	NA	NA
+PJ047224	GSSSSDHR 	C30H49N13O15	831.3471	NA	PeJP	NA	NA
+PJ047225	GGGNNEER 	C30H49N13O15	831.3472	NA	PeJP	NA	NA
+PJ047226	VQEMYY 	C38H53N7O12S	831.3473	NA	PeJP	NA	NA
+PJ047227	GSNMMHR 	C31H53N13O10S2	831.348	NA	PeJP	NA	NA
+PJ047228	NMHHFF 	C39H49N11O8S	831.3487	NA	PeJP	NA	NA
+PJ047229	SPLEEEE 	C34H53N7O17	831.3498	NA	PeJP	NA	NA
+PJ047230	SSTLMMY 	C35H57N7O12S2	831.3507	NA	PeJP	NA	NA
+PJ047231	SSTTHHY 	C35H49N11O13	831.3511	NA	PeJP	NA	NA
+PJ047232	GSPDDRW 	C35H49N11O13	831.3512	NA	PeJP	NA	NA
+PJ047233	APPCCRW 	C36H53N11O8S2	831.352	NA	PeJP	NA	NA
+PJ047234	GPNEEMR 	C32H53N11O13S	831.3545	NA	PeJP	NA	NA
+PJ047235	GGGPEEMR 	C32H53N11O13S	831.3546	NA	PeJP	NA	NA
+PJ047236	SPQEWW 	C40H49N9O11	831.3552	NA	PeJP	NA	NA
+PJ047237	DMHHHR 	C33H49N15O9S	831.3559	NA	PeJP	NA	NA
+PJ047238	SNNNNNR 	C29H49N15O14	831.3584	NA	PeJP	NA	NA
+PJ047239	SSPPQMW 	C37H53N9O11S	831.3585	NA	PeJP	NA	NA
+PJ047240	AAPQEMW 	C37H53N9O11S	831.3586	NA	PeJP	NA	NA
+PJ047241	GPFYYW 	C45H49N7O9	831.3592	NA	PeJP	NA	NA
+PJ047242	GTCCHRR 	C30H53N15O9S2	831.3593	NA	PeJP	NA	NA
+PJ047243	CLHHHW 	C38H49N13O7S	831.3599	NA	PeJP	NA	NA
+3689	NA	FEWNYVEFSWASV	831.36045	MH2+	Inhouse_peptide	NA	peptide
+PJ047244	SSSSSSKY 	C33H53N9O16	831.361	NA	PeJP	NA	NA
+PJ047245	SPNKEEE 	C33H53N9O16	831.3611	NA	PeJP	NA	NA
+PJ047246	STCCKKY 	C34H57N9O11S2	831.3619	NA	PeJP	NA	NA
+PJ047247	NNNERW 	C34H49N13O12	831.3624	NA	PeJP	NA	NA
+PJ047248	GLMYYW 	C42H53N7O9S	831.3626	NA	PeJP	NA	NA
+PJ047249	CCKHRW 	C35H53N13O7S2	831.3633	NA	PeJP	NA	NA
+PJ047250	QHHHHH 	C35H45N17O8	831.3637	NA	PeJP	NA	NA
+PJ047251	GAHHHHH 	C35H45N17O8	831.3638	NA	PeJP	NA	NA
+PJ047252	TKEEYY 	C38H53N7O14	831.3651	NA	PeJP	NA	NA
+PJ047253	GPCDERR 	C31H53N13O12S	831.3658	NA	PeJP	NA	NA
+PJ047254	PKMMYY 	C39H57N7O9S2	831.3659	NA	PeJP	NA	NA
+PJ047255	GALMMFY 	C39H57N7O9S2	831.366	NA	PeJP	NA	NA
+PJ047256	GQQQWW 	C39H49N11O10	831.3664	NA	PeJP	NA	NA
+PJ047257	PVVEEEM 	C35H57N7O14S	831.3685	NA	PeJP	NA	NA
+PJ047258	PNEMRW 	C36H53N11O10S	831.3698	NA	PeJP	NA	NA
+PJ047259	GPTWWW 	C44H49N9O8	831.3704	NA	PeJP	NA	NA
+PJ047260	AAQEEER 	C32H53N11O15	831.3723	NA	PeJP	NA	NA
+PJ047261	SPPNMMR 	C33H57N11O10S2	831.3732	NA	PeJP	NA	NA
+PJ047262	GPNDHHR 	C33H49N15O11	831.3736	NA	PeJP	NA	NA
+PJ047263	GGGPDHHR 	C33H49N15O11	831.3737	NA	PeJP	NA	NA
+PJ047264	PVNMWW 	C41H53N9O8S	831.3738	NA	PeJP	NA	NA
+PJ047265	FFFWW 	C49H49N7O6	831.3745	NA	PeJP	NA	NA
+PJ047266	GSPKEEW 	C37H53N9O13	831.3763	NA	PeJP	NA	NA
+PJ047267	SSSCHRR 	C30H53N15O11S	831.377	NA	PeJP	NA	NA
+PJ047268	APPCKMW 	C38H57N9O8S2	831.3772	NA	PeJP	NA	NA
+PJ047269	GNNRWW 	C38H49N13O9	831.3777	NA	PeJP	NA	NA
+PJ047270	TTTLEMH 	C34H57N9O13S	831.3797	NA	PeJP	NA	NA
+PJ047271	STLYYW 	C42H53N7O11	831.3803	NA	PeJP	NA	NA
+PJ047272	GLLMMMH 	C35H61N9O8S3	831.3806	NA	PeJP	NA	NA
+PJ047273	PCDRRW 	C35H53N13O9S	831.381	NA	PeJP	NA	NA
+PJ047274	NEEERR 	C31H53N13O14	831.3835	NA	PeJP	NA	NA
+PJ047275	GGGGGGSVER 	C31H53N13O14	831.3836	NA	PeJP	NA	NA
+PJ047276	VKEMYY 	C39H57N7O11S	831.3837	NA	PeJP	NA	NA
+7882	peptide from tropomyosin, pork muscles	DAQEKLE	831.3839	antibacterial	Inhouse_peptide	NA	peptide
+PJ047277	PPTCCRR 	C32H57N13O9S2	831.3844	NA	PeJP	NA	NA
+PJ047278	GPMRWW 	C40H53N11O7S	831.3851	NA	PeJP	NA	NA
+31	Myofibrillar	DAQEKLE	831.386	celiac toxic	Inhouse_peptide	NA	peptide
+PJ047279	ALLEEEE 	C35H57N7O16	831.3862	NA	PeJP	NA	NA
+PJ047280	VNEERW 	C36H53N11O12	831.3875	NA	PeJP	NA	NA
+PJ047281	GGVEERW 	C36H53N11O12	831.3876	NA	PeJP	NA	NA
+PJ047282	CKKMHW 	C37H57N11O7S2	831.3884	NA	PeJP	NA	NA
+PJ047283	APPHHHH 	C37H49N15O8	831.3889	NA	PeJP	NA	NA
+PJ047284	GPDKEMR 	C33H57N11O12S	831.3909	NA	PeJP	NA	NA
+PJ047285	GGGGGGGGLLM 	C33H57N11O12S	831.391	NA	PeJP	NA	NA
+PJ047286	SPKEWW 	C41H53N9O10	831.3916	NA	PeJP	NA	NA
+PJ047287	CNHFRR 	C34H53N15O8S	831.3923	NA	PeJP	NA	NA
+PJ047288	DDDRRR 	C30H53N15O13	831.3948	NA	PeJP	NA	NA
+PJ047289	AAPKEMW 	C38H57N9O10S	831.3949	NA	PeJP	NA	NA
+PJ047290	GPVDKMW 	C38H57N9O10S	831.395	NA	PeJP	NA	NA
+PJ047291	GLFFYW 	C46H53N7O8	831.3956	NA	PeJP	NA	NA
+PJ047292	GLQKEEE 	C34H57N9O15	831.3974	NA	PeJP	NA	NA
+PJ047293	GGALKEEE 	C34H57N9O15	831.3975	NA	PeJP	NA	NA
+7420	coeliac toxic peptide	PQQPFPQPQQPFPQ	831.398	MH2+	Inhouse_peptide	NA	peptide
+PJ047294	STLLMMH 	C35H61N9O10S2	831.3983	NA	PeJP	NA	NA
+PJ047295	GEERRW 	C35H53N13O11	831.3988	NA	PeJP	NA	NA
+PJ047296	PKMFFY 	C43H57N7O8S	831.399	NA	PeJP	NA	NA
+PJ047297	KHHHHH 	C36H49N17O7	831.4001	NA	PeJP	NA	NA
+PJ047298	SSSILYY 	C39H57N7O13	831.4014	NA	PeJP	NA	NA
+PJ047299	SSSLLYY 	C39H57N7O13	831.4015	NA	PeJP	NA	NA
+PJ047300	SSSKMHR 	C32H57N13O11S	831.4021	NA	PeJP	NA	NA
+PJ047301	GSPEMRR 	C32H57N13O11S	831.4022	NA	PeJP	NA	NA
+PJ047302	LKMMFY 	C40H61N7O8S2	831.4023	NA	PeJP	NA	NA
+PJ047303	GVERWW 	C40H53N11O9	831.4028	NA	PeJP	NA	NA
+PJ047304	PTLLEEM 	C36H61N7O13S	831.4048	NA	PeJP	NA	NA
+PJ047305	PPLLMMM 	C37H65N7O8S3	831.4057	NA	PeJP	NA	NA
+PJ047306	PDKMRW 	C37H57N11O9S	831.4062	NA	PeJP	NA	NA
+PJ047307	AALWWW 	C45H53N9O7	831.4068	NA	PeJP	NA	NA
+PJ047308	AAKEEER 	C33H57N11O14	831.4087	NA	PeJP	NA	NA
+PJ047309	ASKKMMH 	C34H61N11O9S2	831.4095	NA	PeJP	NA	NA
+PJ047310	GPLQMMR 	C34H61N11O9S2	831.4096	NA	PeJP	NA	NA
+PJ047311	SNNRRW 	C34H53N15O10	831.41	NA	PeJP	NA	NA
+PJ047312	PCLKWW 	C42H57N9O7S	831.4102	NA	PeJP	NA	NA
+PJ047313	LQKEEW 	C38H57N9O12	831.4127	NA	PeJP	NA	NA
+PJ047314	NQQMRR 	C31H57N15O10S	831.4134	NA	PeJP	NA	NA
+PJ047315	ERRWW 	C39H53N13O8	831.414	NA	PeJP	NA	NA
+PJ047316	GAPKHHW 	C39H53N13O8	831.4141	NA	PeJP	NA	NA
+PJ047317	APKKEEM 	C35H61N9O12S	831.4161	NA	PeJP	NA	NA
+PJ047318	PVKYYY 	C43H57N7O10	831.4167	NA	PeJP	NA	NA
+PJ047319	SPMRRW 	C36H57N13O8S	831.4174	NA	PeJP	NA	NA
+PJ047320	VRWWW 	C44H53N11O6	831.4181	NA	PeJP	NA	NA
+PJ047321	DKEERR 	C32H57N13O13	831.4199	NA	PeJP	NA	NA
+PJ047322	PPVLEMF 	C40H61N7O10S	831.4201	NA	PeJP	NA	NA
+PJ047323	AAPMMRR 	C33H61N13O8S2	831.4208	NA	PeJP	NA	NA
+PJ047324	SLLLEEE 	C36H61N7O15	831.4226	NA	PeJP	NA	NA
+PJ047325	PVLLEMM 	C37H65N7O10S2	831.4235	NA	PeJP	NA	NA
+PJ047326	VDKERW 	C37H57N11O11	831.4239	NA	PeJP	NA	NA
+PJ047327	GGAADKKW 	C37H57N11O11	831.424	NA	PeJP	NA	NA
+PJ047328	CNQRRR 	C30H57N17O9S	831.4246	NA	PeJP	NA	NA
+PJ047329	VHHHFR 	C38H53N15O7	831.4253	NA	PeJP	NA	NA
+PJ047330	APTKEMR 	C34H61N11O11S	831.4273	NA	PeJP	NA	NA
+PJ047331	SLLQWW 	C42H57N9O9	831.4279	NA	PeJP	NA	NA
+PJ047332	ALKEWW 	C42H57N9O9	831.428	NA	PeJP	NA	NA
+PJ047333	GSNDKRR 	C31H57N15O12	831.4311	NA	PeJP	NA	NA
+PJ047334	SEERRR 	C31H57N15O12	831.4312	NA	PeJP	NA	NA
+PJ047335	GPTLKMW 	C39H61N9O9S	831.4313	NA	PeJP	NA	NA
+PJ047336	PKFFFF 	C47H57N7O7	831.432	NA	PeJP	NA	NA
+PJ047337	GLKKEEE 	C35H61N9O14	831.4338	NA	PeJP	NA	NA
+PJ047338	PPTKKMM 	C36H65N9O9S2	831.4347	NA	PeJP	NA	NA
+PJ047339	SVERRW 	C36H57N13O10	831.4352	NA	PeJP	NA	NA
+PJ047340	LKMFFF 	C44H61N7O7S	831.4354	NA	PeJP	NA	NA
+PJ047341	PPTILEY 	C40H61N7O12	831.4378	NA	PeJP	NA	NA
+PJ047342	PPTLLEY 	C40H61N7O12	831.4379	NA	PeJP	NA	NA
+PJ047343	LQEMRR 	C33H61N13O10S	831.4385	NA	PeJP	NA	NA
+PJ047344	GALEMRR 	C33H61N13O10S	831.4386	NA	PeJP	NA	NA
+PJ047345	ATLRWW 	C41H57N11O8	831.4392	NA	PeJP	NA	NA
+PJ047346	VVLLEEM 	C37H65N7O12S	831.4412	NA	PeJP	NA	NA
+PJ047347	GSSNRRR 	C30H57N17O11	831.4424	NA	PeJP	NA	NA
+PJ047348	VLQMRW 	C38H61N11O8S	831.4426	NA	PeJP	NA	NA
+PJ047349	VTTQQQK 	C34H61N11O13	831.445	NA	PeJP	NA	NA
+PJ047350	GTLKEER 	C34H61N11O13	831.4451	NA	PeJP	NA	NA
+PJ047351	GPLKMMR 	C35H65N11O8S2	831.4459	NA	PeJP	NA	NA
+PJ047352	GPTKHHR 	C35H57N15O9	831.4464	NA	PeJP	NA	NA
+PJ047353	LKKEEW 	C39H61N9O11	831.4491	NA	PeJP	NA	NA
+PJ047354	VDMRRR 	C32H61N15O9S	831.4498	NA	PeJP	NA	NA
+PJ047355	APFRRW 	C40H57N13O7	831.4504	NA	PeJP	NA	NA
+PJ047356	SPLKKEM 	C36H65N9O11S	831.4525	NA	PeJP	NA	NA
+PJ047357	VLKFYY 	C44H61N7O9	831.4531	NA	PeJP	NA	NA
+PJ047358	ALMRRW 	C37H61N13O7S	831.4538	NA	PeJP	NA	NA
+PJ047359	GTTLERR 	C33H61N13O12	831.4563	NA	PeJP	NA	NA
+PJ047360	PPVLLMY 	C41H65N7O9S	831.4565	NA	PeJP	NA	NA
+PJ047361	VQHHRR 	C34H57N17O8	831.4576	NA	PeJP	NA	NA
+PJ047362	GGLHHRR 	C34H57N17O8	831.4577	NA	PeJP	NA	NA
+PJ047363	TLKERW 	C38H61N11O10	831.4603	NA	PeJP	NA	NA
+PJ047364	CNKRRR 	C31H61N17O8S	831.461	NA	PeJP	NA	NA
+PJ047365	GVLKEMR 	C35H65N11O10S	831.4637	NA	PeJP	NA	NA
+PJ047366	SLLKWW 	C43H61N9O8	831.4643	NA	PeJP	NA	NA
+PJ047367	GPVVKFW 	C43H61N9O8	831.4644	NA	PeJP	NA	NA
+PJ047368	GSTQKRR 	C32H61N15O11	831.4675	NA	PeJP	NA	NA
+PJ047369	AALLKMW 	C40H65N9O8S	831.4677	NA	PeJP	NA	NA
+PJ047370	AHHRRR 	C33H57N19O7	831.4689	NA	PeJP	NA	NA
+PJ047371	SVLKKEE 	C36H65N9O13	831.4702	NA	PeJP	NA	NA
+PJ047372	PVVKKMM 	C37H69N9O8S2	831.4711	NA	PeJP	NA	NA
+PJ047373	TTLRRW 	C37H61N13O9	831.4716	NA	PeJP	NA	NA
+PJ047374	PVVLLEY 	C41H65N7O11	831.4742	NA	PeJP	NA	NA
+PJ047375	LKEMRR 	C34H65N13O9S	831.4749	NA	PeJP	NA	NA
+PJ047376	GKKKWW 	C42H61N11O7	831.4756	NA	PeJP	NA	NA
+PJ047377	TLLLLEM 	C38H69N7O11S	831.4776	NA	PeJP	NA	NA
+PJ047378	VLKMRW 	C39H65N11O7S	831.4789	NA	PeJP	NA	NA
+PJ047379	SSLLKER 	C35H65N11O12	831.4814	NA	PeJP	NA	NA
+PJ047380	VVTTKER 	C35H65N11O12	831.4815	NA	PeJP	NA	NA
+PJ047381	PTFRRR 	C36H61N15O8	831.4828	NA	PeJP	NA	NA
+PJ047382	ATTLLKW 	C40H65N9O10	831.4855	NA	PeJP	NA	NA
+PJ047383	TLMRRR 	C33H65N15O8S	831.4862	NA	PeJP	NA	NA
+PJ047384	ALLKKEM 	C37H69N9O10S	831.4888	NA	PeJP	NA	NA
+PJ047385	VVVKKEM 	C37H69N9O10S	831.4889	NA	PeJP	NA	NA
+PJ047386	PPVLLFF 	C45H65N7O8	831.4895	NA	PeJP	NA	NA
+PJ047387	SSTLLRR 	C34H65N13O11	831.4927	NA	PeJP	NA	NA
+PJ047388	PVLLLMF 	C42H69N7O8S	831.4929	NA	PeJP	NA	NA
+PJ047389	VKHHRR 	C35H61N17O7	831.494	NA	PeJP	NA	NA
+PJ047390	VLLLLMM 	C39H73N7O8S2	831.4962	NA	PeJP	NA	NA
+PJ047391	DKKKKW 	C39H65N11O9	831.4967	NA	PeJP	NA	NA
+PJ047392	ATLLKMR 	C36H69N11O9S	831.5001	NA	PeJP	NA	NA
+PJ047393	GSTKKRR 	C33H65N15O10	831.5039	NA	PeJP	NA	NA
+HMDB12406	PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H74NO10P	831.505005	NA	HMDB2010	NA	NA
+HMDB12438	PS(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C46H74NO10P	831.505005	NA	HMDB2010	NA	NA
+HMDB12446	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	C46H74NO10P	831.505005	NA	HMDB2010	NA	NA
+PJ047394	TTLLKKE 	C37H69N9O12	831.5066	NA	PeJP	NA	NA
+PJ047395	SKKKRW 	C38H65N13O8	831.5079	NA	PeJP	NA	NA
+PJ047396	PTLLLLY 	C42H69N7O10	831.5106	NA	PeJP	NA	NA
+PJ047397	AAKKKMR 	C35H69N13O8S	831.5113	NA	PeJP	NA	NA
+PJ047398	TTTLLKR 	C36H69N11O11	831.5178	NA	PeJP	NA	NA
+PJ047399	VVFRRR 	C37H65N15O7	831.5192	NA	PeJP	NA	NA
+PJ047400	APLLKKY 	C41H69N9O9	831.5219	NA	PeJP	NA	NA
+PJ047401	SLLLKKM 	C38H73N9O9S	831.5252	NA	PeJP	NA	NA
+PJ047402	ATTKKKR 	C35H69N13O10	831.5291	NA	PeJP	NA	NA
+PJ047403	GVLLKFR 	C40H69N11O8	831.5331	NA	PeJP	NA	NA
+PJ047404	GLKKKKM 	C37H73N11O8S	831.5365	NA	PeJP	NA	NA
+PJ047405	LLKFRR 	C39H69N13O7	831.5443	NA	PeJP	NA	NA
+PJ047406	VVLLLLY 	C43H73N7O9	831.547	NA	PeJP	NA	NA
+PJ047407	STLKKKK 	C37H73N11O10	831.5542	NA	PeJP	NA	NA
+PJ047408	ALLLKKF 	C42H73N9O8	831.5582	NA	PeJP	NA	NA
+EUR995	PC 38:4 [M+Na]+	C46H84NO8P	831.575403	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR995	PC 38:4 [M+Na]+	C46H84NO8P	831.575403	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR995	PC 38:4 [M+Na]+	C46H84NO8P	831.575403	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR995	PC 38:4 [M+Na]+	C46H84NO8P	831.575403	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1019	PC 40:7 monoisotopic mass 	C48H82NO8P	831.577807	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1019	PC 40:7 monoisotopic mass 	C48H82NO8P	831.577807	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1019	PC 40:7 monoisotopic mass 	C48H82NO8P	831.577807	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1019	PC 40:7 monoisotopic mass 	C48H82NO8P	831.577807	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08090	PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08123	PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08154	PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08155	PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08186	PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08219	PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08347	PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08378	PC(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08379	PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08410	PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08411	PC(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08441	PC(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08442	PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08474	PC(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08475	PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08506	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08632	PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08633	PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08664	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08697	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08728	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+HMDB08729	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	C48H82NO8P	831.57782	NA	HMDB2010	NA	NA
+EUR967	PC 36:2 [M+FA-H]-	C44H84NO8P	831.598337	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR967	PC 36:2 [M+FA-H]-	C44H84NO8P	831.598337	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR967	PC 36:2 [M+FA-H]-	C44H84NO8P	831.598337	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR967	PC 36:2 [M+FA-H]-	C44H84NO8P	831.598337	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1130	SM(d18:1/24:4) [M+Na]+	C47H90N2O6P	831.635597	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1130	SM(d18:1/24:4) [M+Na]+	C47H90N2O6P	831.635597	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1130	SM(d18:1/24:4) [M+Na]+	C47H90N2O6P	831.635597	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1130	SM(d18:1/24:4) [M+Na]+	C47H90N2O6P	831.635597	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07959	PC(15:0/24:0)	C47H94NO8P	831.671692	NA	HMDB2010	NA	NA
+HMDB09013	PE(18:0/24:0)	C47H94NO8P	831.671692	NA	HMDB2010	NA	NA
+HMDB09237	PE(20:0/22:0)	C47H94NO8P	831.671692	NA	HMDB2010	NA	NA
+HMDB09493	PE(22:0/20:0)	C47H94NO8P	831.671692	NA	HMDB2010	NA	NA
+HMDB09717	PE(24:0/18:0)	C47H94NO8P	831.671692	NA	HMDB2010	NA	NA
+MJ095773	2-Amino-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside 	C47H93NO10	831.679948	NA	MeJP	NA	NA
+MJ095774	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside 	C47H93NO10	831.679948	NA	MeJP	NA	NA
+MJ095775	Astrocerebrosides; Astrocerebroside C 	C47H93NO10	831.679948	NA	MeJP	NA	NA
+HMDB13421	PC(o-18:0/22:0)	C48H98NO7P	831.708069	NA	HMDB2010	NA	NA
+HMDB13441	PC(o-20:0/20:0)	C48H98NO7P	831.708069	NA	HMDB2010	NA	NA
+MJ095776	N,N'-Bis[2-(3,5-diiodo-4-methoxyphenyl)ethyl]urea 	C19H20I4N2O3	831.765266	NA	MeJP	NA	NA
+HMDB06502	P1,P4-Bis(5'-adenosyl) tetraphosphate	C20H24N10O19P4	832.016968	NA	HMDB2010	NA	NA
+HMDB06502	P1,P4-Bis(5'-adenosyl) tetraphosphate	C20H24N10O19P4	832.01697	http://www.hmdb.ca/metabolites/HMDB06502	HMDB	NA	NA
+HMDB06502	P1,P4-Bis(5'-adenosyl) tetraphosphate	C20H24N10O19P4	832.01697	HMDB06502	PFEM_hmdb_metabocards_official	NA	NA
+PJ047409	GCCCCDDD 	C26H40N8O15S4	832.1496	NA	PeJP	NA	NA
+PJ047410	SPCCCCCD 	C27H44N8O12S5	832.1683	NA	PeJP	NA	NA
+FL5FECGS0064	Quercetagetin 7-methyl ether 3-(2'''-caffeoylglucosyl)-(1->2)-glucuronide	C37H36O22	832.16982	-	knapsack	NA	NA
+MJ095777	3,3',4',5,6,7-Hexahydroxyflavone; 7-Me ether, 3-O-[3,4-dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C37H36O22	832.169822	NA	MeJP	NA	NA
+PJ047411	GCCCCCNQ 	C26H44N10O11S5	832.1795	NA	PeJP	NA	NA
+PJ047412	GSCCCDDM 	C27H44N8O14S4	832.186	NA	PeJP	NA	NA
+PJ047413	APCCCCCM 	C28H48N8O9S6	832.1869	NA	PeJP	NA	NA
+PJ047414	SSCCCCNN 	C26H44N10O13S4	832.1972	NA	PeJP	NA	NA
+PJ047415	GGSSCCCCN 	C26H44N10O13S4	832.1973	NA	PeJP	NA	NA
+PJ047416	SCCCCEW 	C31H44N8O11S4	832.2013	NA	PeJP	NA	NA
+PJ047417	SSSCCCDE 	C27H44N8O16S3	832.2038	NA	PeJP	NA	NA
+PJ047418	CCCNEMM 	C28H48N8O11S5	832.2046	NA	PeJP	NA	NA
+PJ047419	GGCCCEMM 	C28H48N8O11S5	832.2047	NA	PeJP	NA	NA
+FL5FACGA0037	Quercetin 3-(6'''-sinapylglucosyl)(1->2)-galactoside	C38H40O21	832.2062	168781-62-2	knapsack	NA	NA
+MJ095778	Hyperin; 2''-O-[(4-Hydroxy-3,5-dimethoxycinnamoyl)-(?6)-?-D-glucopyranosyl] 	C38H40O21	832.206208	NA	MeJP	NA	NA
+PJ047420	CCCCDMR 	C27H48N10O10S5	832.2159	NA	PeJP	NA	NA
+MJ095779	Ulithiacyclamide E 	C35H44N8O8S4	832.216493	NA	MeJP	NA	NA
+PJ047421	CCCNDEF 	C31H44N8O13S3	832.219	NA	PeJP	NA	NA
+PJ047422	GCCCMMW 	C32H48N8O8S5	832.2199	NA	PeJP	NA	NA
+PJ047423	GSSCCDMM 	C28H48N8O13S4	832.2224	NA	PeJP	NA	NA
+PJ047424	CCCCQHH 	C29H44N12O9S4	832.2237	NA	PeJP	NA	NA
+PJ047425	GACCCCHH 	C29H44N12O9S4	832.2238	NA	PeJP	NA	NA
+FL5FGCGA0002	Limocitrol 3-[alpha-L-arabinopyranosyl-(1->3)[galactosyl-(1->6)]-galactoside]	C35H44O23	832.22733	153976-17-1	knapsack	NA	NA
+MJ095780	3,3',4',5,6,7,8-Heptahydroxyflavone; 3',6,8-Tri-Me ether, 3-O-[?-L-arabinopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?6)]-?-D-galactopyranoside] 	C35H44O23	832.227337	NA	MeJP	NA	NA
+PJ047426	CNDDDDH 	C29H40N10O17S	832.2294	NA	PeJP	NA	NA
+PJ047427	CCCNNNY 	C30H44N10O12S3	832.2303	NA	PeJP	NA	NA
+PJ047428	GCCCDFW 	C35H44N8O10S3	832.2343	NA	PeJP	NA	NA
+PJ047429	SCCNDEY 	C31H44N8O15S2	832.2368	NA	PeJP	NA	NA
+PJ047430	STCCCMW 	C32H48N8O10S4	832.2376	NA	PeJP	NA	NA
+PJ047431	PCCCNMY 	C32H48N8O10S4	832.2377	NA	PeJP	NA	NA
+PJ047432	SSTTCCCE 	C28H48N8O15S3	832.2401	NA	PeJP	NA	NA
+PJ047433	SSSSCCEM 	C28H48N8O15S3	832.2402	NA	PeJP	NA	NA
+PJ047434	SCCQMMM 	C29H52N8O10S5	832.241	NA	PeJP	NA	NA
+PJ047435	GSSCCCHH 	C29H44N12O11S3	832.2415	NA	PeJP	NA	NA
+MJ095781	Premnoside B; 3'''-Hydroxy 	C39H44O20	832.242593	NA	MeJP	NA	NA
+PJ047436	GSPCCDDH 	C30H44N10O14S2	832.248	NA	PeJP	NA	NA
+PJ047437	APPCCCCH 	C31H48N10O9S4	832.2489	NA	PeJP	NA	NA
+PJ047438	GSCCDYW 	C35H44N8O12S2	832.252	NA	PeJP	NA	NA
+PJ047439	SCCCMMR 	C28H52N10O9S5	832.2523	NA	PeJP	NA	NA
+PJ047440	GSSSCDDY 	C31H44N8O17S	832.2545	NA	PeJP	NA	NA
+PJ047441	GPPCDDDD 	C31H44N8O17S	832.2546	NA	PeJP	NA	NA
+PJ047442	GCNDMMY 	C32H48N8O12S3	832.2554	NA	PeJP	NA	NA
+PJ047443	GSSSCMMM 	C29H52N8O12S4	832.2588	NA	PeJP	NA	NA
+PJ047444	CCNNNEH 	C29H44N12O13S2	832.2593	NA	PeJP	NA	NA
+PJ047445	CCCCKHH 	C30H48N12O8S4	832.2601	NA	PeJP	NA	NA
+PJ047446	SNDDDMH 	C30H44N10O16S	832.2658	NA	PeJP	NA	NA
+PJ047447	ACCCDRY 	C31H48N10O11S3	832.2666	NA	PeJP	NA	NA
+PJ047448	GCCCERY 	C31H48N10O11S3	832.2667	NA	PeJP	NA	NA
+PJ047449	GCNDDFY 	C35H44N8O14S	832.2698	NA	PeJP	NA	NA
+PJ047450	CCQMYW 	C36H48N8O9S3	832.2707	NA	PeJP	NA	NA
+PJ047451	PNDDDEE 	C31H44N8O19	832.2723	NA	PeJP	NA	NA
+PJ047452	SSCNEMY 	C32H48N8O14S2	832.2732	NA	PeJP	NA	NA
+PJ047453	GCNMMMF 	C33H52N8O9S4	832.274	NA	PeJP	NA	NA
+PJ047454	GGGCMMMF 	C33H52N8O9S4	832.2741	NA	PeJP	NA	NA
+PJ047455	GCCNNHW 	C33H44N12O10S2	832.2745	NA	PeJP	NA	NA
+PJ047456	DDEEYY 	C36H44N6O17	832.2763	NA	PeJP	NA	NA
+PJ047457	SSSSTCMM 	C29H52N8O14S3	832.2765	NA	PeJP	NA	NA
+PJ047458	GSSCNNDH 	C29H44N12O15S	832.277	NA	PeJP	NA	NA
+PJ047459	SCCKMMM 	C30H56N8O9S5	832.2774	NA	PeJP	NA	NA
+PJ047460	PCCCDHR 	C30H48N12O10S3	832.2779	NA	PeJP	NA	NA
+PJ047461	EEMMMY 	C34H52N6O12S3	832.2806	NA	PeJP	NA	NA
+PJ047462	GSCDEHW 	C34H44N10O13S	832.281	NA	PeJP	NA	NA
+PJ047463	CCCRYW 	C35H48N10O8S3	832.2819	NA	PeJP	NA	NA
+PJ047464	GSSSDDEH 	C30H44N10O18	832.2835	NA	PeJP	NA	NA
+PJ047465	GGGSPNDDD 	C30H44N10O18	832.2836	NA	PeJP	NA	NA
+PJ047466	SSCCDRY 	C31H48N10O13S2	832.2844	NA	PeJP	NA	NA
+PJ047467	ACCCMFR 	C32H52N10O8S4	832.2853	NA	PeJP	NA	NA
+PJ047468	GPDDDEW 	C35H44N8O16	832.2876	NA	PeJP	NA	NA
+PJ047469	GSSCMYW 	C36H48N8O11S2	832.2884	NA	PeJP	NA	NA
+PJ047470	GSSSSDMY 	C32H48N8O16S	832.2909	NA	PeJP	NA	NA
+PJ047471	GSNMMMY 	C33H52N8O11S3	832.2918	NA	PeJP	NA	NA
+PJ047472	NNNNNDE 	C29H44N12O17	832.2948	NA	PeJP	NA	NA
+PJ047473	DEEMFY 	C37H48N6O14S	832.295	NA	PeJP	NA	NA
+PJ047474	GCDDMHR 	C30H48N12O12S2	832.2956	NA	PeJP	NA	NA
+PJ047475	GGGGSCQMH 	C30H48N12O12S2	832.2957	NA	PeJP	NA	NA
+PJ047476	SCDHWW 	C38H44N10O10S	832.2963	NA	PeJP	NA	NA
+PJ047477	SSSDDHW 	C34H44N10O15	832.2988	NA	PeJP	NA	NA
+PJ047478	NDMMHW 	C35H48N10O10S2	832.2997	NA	PeJP	NA	NA
+PJ047479	SSNEEMH 	C31H48N10O15S	832.3022	NA	PeJP	NA	NA
+PJ047480	PDDDWW 	C39H44N8O13	832.3028	NA	PeJP	NA	NA
+PJ047481	GTCCMRY 	C32H52N10O10S3	832.303	NA	PeJP	NA	NA
+PJ047482	GCNEHHH 	C32H44N14O11S	832.3035	NA	PeJP	NA	NA
+PJ047483	CCQFFW 	C40H48N8O8S2	832.3037	NA	PeJP	NA	NA
+PJ047484	SSSTCYW 	C36H48N8O13S	832.3062	NA	PeJP	NA	NA
+PJ047485	SCCNNHR 	C29H48N14O11S2	832.3069	NA	PeJP	NA	NA
+PJ047486	CCKMYW 	C37H52N8O8S3	832.3071	NA	PeJP	NA	NA
+PJ047487	SSSSSSEY 	C32H48N8O18	832.3087	NA	PeJP	NA	NA
+PJ047488	SSSQMMY 	C33H52N8O13S2	832.3095	NA	PeJP	NA	NA
+PJ047489	GGSSTMMY 	C33H52N8O13S2	832.3096	NA	PeJP	NA	NA
+PJ047490	GNNNNDW 	C33H44N12O14	832.31	NA	PeJP	NA	NA
+PJ047491	GGGGGGGNDW 	C33H44N12O14	832.3101	NA	PeJP	NA	NA
+PJ047492	ACCKMMF 	C34H56N8O8S4	832.3104	NA	PeJP	NA	NA
+PJ047493	CCEHRW 	C34H48N12O9S2	832.3109	NA	PeJP	NA	NA
+PJ047494	TEEEYY 	C37H48N6O16	832.3127	NA	PeJP	NA	NA
+PJ047495	SSCDEHR 	C30H48N12O14S	832.3134	NA	PeJP	NA	NA
+PJ047496	PEMMYY 	C38H52N6O11S2	832.3136	NA	PeJP	NA	NA
+PJ047497	NDDHFW 	C38H44N10O12	832.314	NA	PeJP	NA	NA
+PJ047498	GGDDHFW 	C38H44N10O12	832.3141	NA	PeJP	NA	NA
+PJ047499	SPCCMHR 	C31H52N12O9S3	832.3143	NA	PeJP	NA	NA
+PJ047500	ACMHWW 	C39H48N10O7S2	832.3149	NA	PeJP	NA	NA
+C12387	Premithramycin A3	C41H52O18	832.3154	NA	KEGG	NA	NA
+PJ047501	GSSEMHW 	C35H48N10O12S	832.3174	NA	PeJP	NA	NA
+PJ047502	MMMHHF 	C36H52N10O7S3	832.3183	NA	PeJP	NA	NA
+PJ047503	CNHHHW 	C36H44N14O8S	832.3188	NA	PeJP	NA	NA
+PJ047504	SPDDDER 	C31H48N10O17	832.3199	NA	PeJP	NA	NA
+PJ047505	GGGGGGVDEE 	C31H48N10O17	832.32	NA	PeJP	NA	NA
+PJ047506	SSSCMRY 	C32H52N10O12S2	832.3208	NA	PeJP	NA	NA
+PJ047507	SSNDHHH 	C32H44N14O13	832.3213	NA	PeJP	NA	NA
+PJ047508	GNMYYW 	C40H48N8O10S	832.3214	NA	PeJP	NA	NA
+PJ047509	ASPDEEW 	C36H48N8O15	832.3239	NA	PeJP	NA	NA
+PJ047510	GSPEEEW 	C36H48N8O15	832.324	NA	PeJP	NA	NA
+MJ095782	Naphthomycin J; (4Z,6E)-Isomer 	C44H52N2O12S	832.324095	NA	MeJP	NA	NA
+PJ047511	GPPDMMW 	C37H52N8O10S2	832.3248	NA	PeJP	NA	NA
+PJ047512	GSSSTTMY 	C33H52N8O15S	832.3273	NA	PeJP	NA	NA
+PJ047513	PDEFYY 	C41H48N6O13	832.328	NA	PeJP	NA	NA
+PJ047514	GTCKMMY 	C34H56N8O10S3	832.3282	NA	PeJP	NA	NA
+PJ047515	ACNNQHF 	C34H48N12O11S	832.3286	NA	PeJP	NA	NA
+PJ047516	GNNNMHF 	C34H48N12O11S	832.3287	NA	PeJP	NA	NA
+PJ047517	SSSSSNQH 	C30H48N12O16	832.3311	NA	PeJP	NA	NA
+PJ047518	GNNDEER 	C30H48N12O16	832.3312	NA	PeJP	NA	NA
+PJ047519	VEEMYY 	C38H52N6O13S	832.3313	NA	PeJP	NA	NA
+PJ047520	GSDMMHR 	C31H52N12O11S2	832.332	NA	PeJP	NA	NA
+PJ047521	SSMHWW 	C39H48N10O9S	832.3327	NA	PeJP	NA	NA
+PJ047522	SSSTEHW 	C35H48N10O14	832.3352	NA	PeJP	NA	NA
+PJ047523	TQMMHW 	C36H52N10O9S2	832.336	NA	PeJP	NA	NA
+PJ047524	GATMMHW 	C36H52N10O9S2	832.3361	NA	PeJP	NA	NA
+PJ047525	SSDKEMH 	C32H52N10O14S	832.3385	NA	PeJP	NA	NA
+PJ047526	GPDEEMR 	C32H52N10O14S	832.3386	NA	PeJP	NA	NA
+PJ047527	SPEEWW 	C40H48N8O12	832.3392	NA	PeJP	NA	NA
+PJ047528	GVQMMMH 	C33H56N10O9S3	832.3394	NA	PeJP	NA	NA
+PJ047529	GSQMHHH 	C33H48N14O10S	832.3399	NA	PeJP	NA	NA
+PJ047530	CCKFFW 	C41H52N8O7S2	832.3401	NA	PeJP	NA	NA
+PJ047531	SNNNNDR 	C29H48N14O15	832.3424	NA	PeJP	NA	NA
+PJ047532	AAPEEMW 	C37H52N8O12S	832.3426	NA	PeJP	NA	NA
+PJ047533	GPPCHHW 	C38H48N12O8S	832.3439	NA	PeJP	NA	NA
+PJ047534	SSSSTTTY 	C33H52N8O17	832.3451	NA	PeJP	NA	NA
+PJ047535	SSSKMMY 	C34H56N8O12S2	832.3459	NA	PeJP	NA	NA
+PJ047536	GAPPTEMM 	C34H56N8O12S2	832.346	NA	PeJP	NA	NA
+PJ047537	NNDERW 	C34H48N12O13	832.3464	NA	PeJP	NA	NA
+PJ047538	GGGGGGGGGGPF 	C34H48N12O13	832.3465	NA	PeJP	NA	NA
+PJ047539	PPMYYY 	C42H52N6O10S	832.3466	NA	PeJP	NA	NA
+PJ047540	TCMHRW 	C35H52N12O8S2	832.3473	NA	PeJP	NA	NA
+PJ047541	EHHHHH 	C35H44N16O9	832.3478	NA	PeJP	NA	NA
+PJ047542	SSSEMHR 	C31H52N12O13S	832.3498	NA	PeJP	NA	NA
+PJ047543	LEMMFY 	C39H56N6O10S2	832.35	NA	PeJP	NA	NA
+PJ047544	GQQEWW 	C39H48N10O11	832.3504	NA	PeJP	NA	NA
+PJ047545	GGGAAEWW 	C39H48N10O11	832.3505	NA	PeJP	NA	NA
+PJ047546	QMMMHR 	C32H56N12O8S3	832.3507	NA	PeJP	NA	NA
+PJ047547	GSCHHHR 	C32H48N16O9S	832.3511	NA	PeJP	NA	NA
+MJ095783	Dysoxylumin A 	C42H56O17	832.35175	NA	MeJP	NA	NA
+PJ047548	PDEMRW 	C36H52N10O11S	832.3538	NA	PeJP	NA	NA
+PJ047549	GNFFYW 	C44H48N8O9	832.3545	NA	PeJP	NA	NA
+PJ047550	AAEEEER 	C32H52N10O16	832.3563	NA	PeJP	NA	NA
+PJ047551	SPPDMMR 	C33H56N10O11S2	832.3572	NA	PeJP	NA	NA
+PJ047552	SSTQHHH 	C33H48N14O12	832.3576	NA	PeJP	NA	NA
+PJ047553	GPDDHHR 	C33H48N14O12	832.3577	NA	PeJP	NA	NA
+MJ095784	Phallin B 	C41H52N8O9S	832.357795	NA	MeJP	NA	NA
+PJ047554	PVDMWW 	C41H52N8O9S	832.3578	NA	PeJP	NA	NA
+PJ047555	LQEEEW 	C37H52N8O14	832.3603	NA	PeJP	NA	NA
+PJ047556	GNNNQMR 	C30H52N14O12S	832.361	NA	PeJP	NA	NA
+PJ047557	GGGGGGGGAMR 	C30H52N14O12S	832.3611	NA	PeJP	NA	NA
+PJ047558	APPTMMW 	C38H56N8O9S2	832.3612	NA	PeJP	NA	NA
+PJ047559	GNDRWW 	C38H48N12O10	832.3617	NA	PeJP	NA	NA
+PJ047560	CMMHRR 	C31H56N14O7S3	832.3619	NA	PeJP	NA	NA
+PJ047561	APKEEEM 	C34H56N8O14S	832.3637	NA	PeJP	NA	NA
+PJ047562	PVEYYY 	C42H52N6O12	832.3643	NA	PeJP	NA	NA
+PJ047563	VEEFFY 	C42H52N6O12	832.3644	NA	PeJP	NA	NA
+PJ047564	PPVQMMM 	C35H60N8O9S3	832.3646	NA	PeJP	NA	NA
+PJ047565	GSPCQRW 	C35H52N12O10S	832.365	NA	PeJP	NA	NA
+PJ047566	GGGPTCRW 	C35H52N12O10S	832.3651	NA	PeJP	NA	NA
+PJ047567	QQWWW 	C43H48N10O8	832.3657	NA	PeJP	NA	NA
+MJ095785	Kraussianin; 18-(4-Acetoxybenzoyloxy) 	C46H56O14	832.367006	NA	MeJP	NA	NA
+PJ047568	DEEERR 	C31H52N12O15	832.3675	NA	PeJP	NA	NA
+PJ047569	GGGGATEER 	C31H52N12O15	832.3676	NA	PeJP	NA	NA
+PJ047570	GTTMMHR 	C32H56N12O10S2	832.3684	NA	PeJP	NA	NA
+PJ047571	PCNKWW 	C40H52N10O8S	832.3691	NA	PeJP	NA	NA
+PJ047572	STTTTHW 	C36H52N10O13	832.3715	NA	PeJP	NA	NA
+PJ047573	VDEERW 	C36H52N10O13	832.3716	NA	PeJP	NA	NA
+PJ047574	GCNNNRR 	C29H52N16O11S	832.3723	NA	PeJP	NA	NA
+PJ047575	TKMMHW 	C37H56N10O8S2	832.3724	NA	PeJP	NA	NA
+PJ047576	QQHHHF 	C37H48N14O9	832.3729	NA	PeJP	NA	NA
+PJ047577	APTEEMR 	C33H56N10O13S	832.3749	NA	PeJP	NA	NA
+PJ047578	GGGGPTKEM 	C33H56N10O13S	832.375	NA	PeJP	NA	NA
+PJ047579	ALEEWW 	C41H52N8O11	832.3756	NA	PeJP	NA	NA
+PJ047580	APPMMMR 	C34H60N10O8S3	832.3758	NA	PeJP	NA	NA
+PJ047581	CDHFRR 	C34H52N14O9S	832.3763	NA	PeJP	NA	NA
+PJ047582	APHHWW 	C42H48N12O7	832.3769	NA	PeJP	NA	NA
+PJ047583	GSNDERR 	C30H52N14O14	832.3788	NA	PeJP	NA	NA
+PJ047584	PPTTTMW 	C38H56N8O11S	832.3789	NA	PeJP	NA	NA
+PJ047585	GPTLEMW 	C38H56N8O11S	832.379	NA	PeJP	NA	NA
+PJ047586	PPFFYY 	C46H52N6O9	832.3796	NA	PeJP	NA	NA
+PJ047587	GPCNMRR 	C31H56N14O9S2	832.3797	NA	PeJP	NA	NA
+PJ047588	GMHFRW 	C39H52N12O7S	832.3803	NA	PeJP	NA	NA
+PJ047589	SPPTTTTE 	C34H56N8O16	832.3814	NA	PeJP	NA	NA
+PJ047590	GLKEEEE 	C34H56N8O16	832.3815	NA	PeJP	NA	NA
+PJ047591	PPTKEMM 	C35H60N8O11S2	832.3823	NA	PeJP	NA	NA
+PJ047592	SQQERW 	C35H52N12O12	832.3828	NA	PeJP	NA	NA
+PJ047593	PLMFYY 	C43H56N6O9S	832.383	NA	PeJP	NA	NA
+PJ047594	STTTMHR 	C32H56N12O12S	832.3862	NA	PeJP	NA	NA
+PJ047595	LLMMYY 	C40H60N6O9S2	832.3863	NA	PeJP	NA	NA
+PJ047596	GQKEWW 	C40H52N10O10	832.3868	NA	PeJP	NA	NA
+PJ047597	KMMMHR 	C33H60N12O7S3	832.387	NA	PeJP	NA	NA
+MJ095786	Chaetiacandin 	C43H60O16	832.388135	NA	MeJP	NA	NA
+PJ047598	GSPQKMW 	C37H56N10O10S	832.3902	NA	PeJP	NA	NA
+PJ047599	PPTFWW 	C45H52N8O8	832.3908	NA	PeJP	NA	NA
+PJ047600	GTLEEER 	C33H56N10O15	832.3927	NA	PeJP	NA	NA
+PJ047601	GPLEMMR 	C34H60N10O10S2	832.3936	NA	PeJP	NA	NA
+PJ047602	SNDRRW 	C34H52N14O11	832.394	NA	PeJP	NA	NA
+PJ047603	GGGGSPKHH 	C34H52N14O11	832.3941	NA	PeJP	NA	NA
+PJ047604	PTLMWW 	C42H56N8O8S	832.3942	NA	PeJP	NA	NA
+PJ047605	LKEEEW 	C38H56N8O13	832.3967	NA	PeJP	NA	NA
+PJ047606	NQEMRR 	C31H56N14O11S	832.3974	NA	PeJP	NA	NA
+PJ047607	GPVLMMW 	C39H60N8O8S2	832.3976	NA	PeJP	NA	NA
+PJ047608	GTQRWW 	C39H52N12O9	832.3981	NA	PeJP	NA	NA
+PJ047609	SPLKEEM 	C35H60N8O13S	832.4001	NA	PeJP	NA	NA
+PJ047610	VLEFYY 	C43H56N6O11	832.4007	NA	PeJP	NA	NA
+PJ047611	PPVKMMM 	C36H64N8O8S3	832.401	NA	PeJP	NA	NA
+PJ047612	VNQMRW 	C36H56N12O9S	832.4014	NA	PeJP	NA	NA
+PJ047613	QKWWW 	C44H52N10O7	832.4021	NA	PeJP	NA	NA
+PJ047614	GSQKEER 	C32H56N12O14	832.4039	NA	PeJP	NA	NA
+PJ047615	GGGGGGSKKE 	C32H56N12O14	832.404	NA	PeJP	NA	NA
+PJ047616	GPNKMMR 	C33H60N12O9S2	832.4048	NA	PeJP	NA	NA
+PJ047617	QQQHHR 	C33H52N16O10	832.4053	NA	PeJP	NA	NA
+PJ047618	PPMFRW 	C41H56N10O7S	832.4055	NA	PeJP	NA	NA
+PJ047619	AATQKEW 	C37H56N10O12	832.4079	NA	PeJP	NA	NA
+PJ047620	TLEERW 	C37H56N10O12	832.408	NA	PeJP	NA	NA
+PJ047621	CNERRR 	C30H56N16O10S	832.4086	NA	PeJP	NA	NA
+PJ047622	GGCERRR 	C30H56N16O10S	832.4087	NA	PeJP	NA	NA
+PJ047623	PLMMRW 	C38H60N10O7S2	832.4088	NA	PeJP	NA	NA
+PJ047624	PTHHRW 	C38H52N14O8	832.4093	NA	PeJP	NA	NA
+PJ047625	GVLEEMR 	C34H60N10O12S	832.4113	NA	PeJP	NA	NA
+PJ047626	SLLEWW 	C42H56N8O10	832.412	NA	PeJP	NA	NA
+PJ047627	GQMRRW 	C35H56N14O8S	832.4127	NA	PeJP	NA	NA
+PJ047628	STNNNKR 	C31H56N14O13	832.4151	NA	PeJP	NA	NA
+PJ047629	GSTQERR 	C31H56N14O13	832.4152	NA	PeJP	NA	NA
+PJ047630	AALLEMW 	C39H60N8O10S	832.4153	NA	PeJP	NA	NA
+MJ095787	Cyclosquamosin G 	C39H60N8O10S	832.41531	NA	MeJP	NA	NA
+PJ047631	GVVLEMW 	C39H60N8O10S	832.4154	NA	PeJP	NA	NA
+PJ047632	PLFFFY 	C47H56N6O8	832.416	NA	PeJP	NA	NA
+PJ047633	NNHHRR 	C32H52N18O9	832.4165	NA	PeJP	NA	NA
+PJ047634	SVLKEEE 	C35H60N8O15	832.4178	NA	PeJP	NA	NA
+PJ047635	VTLDKEE 	C35H60N8O15	832.4179	NA	PeJP	NA	NA
+PJ047636	PVVKEMM 	C36H64N8O10S2	832.4187	NA	PeJP	NA	NA
+7060	coeliac toxic peptide	PQPQLPYPQPQLPY	832.419	MH2+	Inhouse_peptide	NA	peptide
+PJ047637	SQKERW 	C36H56N12O11	832.4192	NA	PeJP	NA	NA
+PJ047638	LLMFFY 	C44H60N6O8S	832.4194	NA	PeJP	NA	NA
+PJ047639	ASLQQMR 	C33H60N12O11S	832.4225	NA	PeJP	NA	NA
+PJ047640	LEEMRR 	C33H60N12O11S	832.4226	NA	PeJP	NA	NA
+PJ047641	GKKEWW 	C41H56N10O9	832.4232	NA	PeJP	NA	NA
+PJ047642	GCRRRW 	C34H56N16O7S	832.4239	NA	PeJP	NA	NA
+PJ047643	GSSDRRR 	C30H56N16O12	832.4264	NA	PeJP	NA	NA
+PJ047644	VLEMRW 	C38H60N10O9S	832.4266	NA	PeJP	NA	NA
+PJ047645	PVVFWW 	C46H56N8O7	832.4272	NA	PeJP	NA	NA
+PJ047646	SSLLEER 	C34H60N10O14	832.4291	NA	PeJP	NA	NA
+PJ047647	APQKKMM 	C35H64N10O9S2	832.4299	NA	PeJP	NA	NA
+PJ047648	SPVLMMR 	C35H64N10O9S2	832.43	NA	PeJP	NA	NA
+PJ047649	STQRRW 	C35H56N14O10	832.4304	NA	PeJP	NA	NA
+PJ047650	VVLMWW 	C43H60N8O7S	832.4306	NA	PeJP	NA	NA
+MJ095788	N-Deacyltunicamycin; 5,6-Dihydro, N4''-(12-methyl-2-tetradecenoyl) 	C38H64N4O16	832.431732	NA	MeJP	NA	NA
+MJ095789	N-Deacyltunicamycin; N4''-(12-Methyltetradecanoyl) 	C38H64N4O16	832.431732	NA	MeJP	NA	NA
+MJ095790	N-Deacyltunicamycin; N4''-(13-Methyltetradecanoyl) 	C38H64N4O16	832.431732	NA	MeJP	NA	NA
+MJ095791	Electrin 5 	C39H60N8O12	832.433069	NA	MeJP	NA	NA
+PJ047651	ATTLLEW 	C39H60N8O12	832.4331	NA	PeJP	NA	NA
+PJ047652	NKEMRR 	C32H60N14O10S	832.4338	NA	PeJP	NA	NA
+PJ047653	GTKRWW 	C40H56N12O8	832.4344	NA	PeJP	NA	NA
+PJ047654	GALLHHW 	C40H56N12O8	832.4345	NA	PeJP	NA	NA
+PJ047655	ALLKEEM 	C36H64N8O12S	832.4365	NA	PeJP	NA	NA
+PJ047656	VLLYYY 	C44H60N6O10	832.4371	NA	PeJP	NA	NA
+PJ047657	VNKMRW 	C37H60N12O8S	832.4378	NA	PeJP	NA	NA
+PJ047658	KKWWW 	C45H56N10O6	832.4385	NA	PeJP	NA	NA
+PJ047659	GSKKEER 	C33H60N12O13	832.4403	NA	PeJP	NA	NA
+PJ047660	APCKKMR 	C34H64N12O8S2	832.4412	NA	PeJP	NA	NA
+PJ047661	VEHHRR 	C34H56N16O9	832.4417	NA	PeJP	NA	NA
+PJ047662	DKKKEW 	C38H60N10O11	832.4443	NA	PeJP	NA	NA
+PJ047663	GGGAAPLKY 	C38H60N10O11	832.4444	NA	PeJP	NA	NA
+PJ047664	SQMRRR 	C31H60N16O9S	832.445	NA	PeJP	NA	NA
+PJ047665	VVHHRW 	C39H56N14O7	832.4457	NA	PeJP	NA	NA
+PJ047666	ATLLEMR 	C35H64N10O11S	832.4477	NA	PeJP	NA	NA
+PJ047667	AAPLLYW 	C43H60N8O9	832.4484	NA	PeJP	NA	NA
+PJ047668	GKMRRW 	C36H60N14O7S	832.4491	NA	PeJP	NA	NA
+PJ047669	ASSKERR 	C32H60N14O12	832.4515	NA	PeJP	NA	NA
+PJ047670	GSTKERR 	C32H60N14O12	832.4516	NA	PeJP	NA	NA
+PJ047671	GTLLLMW 	C40H64N8O9S	832.4517	NA	PeJP	NA	NA
+PJ047672	LLFFFF 	C48H60N6O7	832.4524	NA	PeJP	NA	NA
+PJ047673	TTLLKEE 	C36H64N8O14	832.4542	NA	PeJP	NA	NA
+PJ047674	PTLLKMM 	C37H68N8O9S2	832.4551	NA	PeJP	NA	NA
+PJ047675	SKKERW 	C37H60N12O10	832.4556	NA	PeJP	NA	NA
+PJ047676	SCRRRR 	C30H60N18O8S	832.4563	NA	PeJP	NA	NA
+PJ047677	AAKKEMR 	C34H64N12O10S	832.4589	NA	PeJP	NA	NA
+PJ047678	GVDKKMR 	C34H64N12O10S	832.459	NA	PeJP	NA	NA
+PJ047679	SVKKWW 	C42H60N10O8	832.4596	NA	PeJP	NA	NA
+MJ095792	Cryptoporic acid G; 15-Deoxy, 5'''-Me ester 	C45H68O14	832.460906	NA	MeJP	NA	NA
+PJ047680	GSTTRRR 	C31H60N16O11	832.4628	NA	PeJP	NA	NA
+PJ047681	LQKKMW 	C39H64N10O8S	832.463	NA	PeJP	NA	NA
+PJ047682	TTTLLER 	C35H64N10O13	832.4655	NA	PeJP	NA	NA
+PJ047683	GLLLMMR 	C36H68N10O8S2	832.4663	NA	PeJP	NA	NA
+PJ047684	STKRRW 	C36H60N14O9	832.4668	NA	PeJP	NA	NA
+PJ047685	STTLLLW 	C40H64N8O11	832.4695	NA	PeJP	NA	NA
+PJ047686	DKKMRR 	C33H64N14O9S	832.4702	NA	PeJP	NA	NA
+PJ047687	LLKHHW 	C41H60N12O7	832.4708	NA	PeJP	NA	NA
+PJ047688	SLLLKEM 	C37H68N8O11S	832.4729	NA	PeJP	NA	NA
+PJ047689	CLKKRW 	C38H64N12O7S	832.4742	NA	PeJP	NA	NA
+PJ047690	ATTKKER 	C34H64N12O12	832.4767	NA	PeJP	NA	NA
+PJ047691	AQFRRR 	C35H60N16O8	832.478	NA	PeJP	NA	NA
+MJ095793	Borophycin 	C44H68BO14(-)	832.478037	NA	MeJP	NA	NA
+PJ047692	GAAFRRR 	C35H60N16O8	832.4781	NA	PeJP	NA	NA
+PJ047693	GTTLKKW 	C39H64N10O10	832.4807	NA	PeJP	NA	NA
+PJ047694	SKMRRR 	C32H64N16O8S	832.4814	NA	PeJP	NA	NA
+C15679	Lankamycin	C42H72O16	832.482	NA	KEGG	NA	NA
+MJ095794	Kujimycin A; 15-Ac 	C42H72O16	832.482036	NA	MeJP	NA	NA
+MJ095795	Lankamycin 	C42H72O16	832.482036	NA	MeJP	NA	NA
+MJ095796	Monensin; Monensin A, 26-O-?-D-Glucopyranoside 	C42H72O16	832.482036	NA	MeJP	NA	NA
+PJ047695	STLLLMR 	C36H68N10O10S	832.4841	NA	PeJP	NA	NA
+PJ047696	AALLLFW 	C44H64N8O8	832.4848	NA	PeJP	NA	NA
+PJ047697	SSSLKRR 	C33H64N14O11	832.4879	NA	PeJP	NA	NA
+PJ047698	PVVLKMF 	C41H68N8O8S	832.4881	NA	PeJP	NA	NA
+PJ047699	SSSTLLLL 	C37H68N8O13	832.4906	NA	PeJP	NA	NA
+PJ047700	VVLLKMM 	C38H72N8O8S2	832.4915	NA	PeJP	NA	NA
+PJ047701	AAPKKRY 	C38H64N12O9	832.492	NA	PeJP	NA	NA
+PJ047702	GTLKKMR 	C35H68N12O9S	832.4953	NA	PeJP	NA	NA
+PJ047703	VLLFRW 	C43H64N10O7	832.496	NA	PeJP	NA	NA
+PJ047704	LKKKMW 	C40H68N10O7S	832.4993	NA	PeJP	NA	NA
+PJ047705	STLKKKE 	C36H68N10O12	832.5018	NA	PeJP	NA	NA
+PJ047706	GSSTLLKK 	C36H68N10O12	832.5019	NA	PeJP	NA	NA
+PJ047707	VQKFRR 	C37H64N14O8	832.5032	NA	PeJP	NA	NA
+PJ047708	SPLLLKY 	C41H68N8O10	832.5059	NA	PeJP	NA	NA
+PJ047709	STTLKKR 	C35H68N12O11	832.5131	NA	PeJP	NA	NA
+PJ047710	AKFRRR 	C36H64N16O7	832.5144	NA	PeJP	NA	NA
+PJ047711	GVLLLRY 	C40H68N10O9	832.5171	NA	PeJP	NA	NA
+PJ047712	SVLKKKM 	C37H72N10O9S	832.5205	NA	PeJP	NA	NA
+PJ047713	LLLRRY 	C39H68N12O8	832.5283	NA	PeJP	NA	NA
+PJ047714	ACKKKKK 	C36H72N12O8S	832.5317	NA	PeJP	NA	NA
+PJ047715	VKKFRR 	C38H68N14O7	832.5396	NA	PeJP	NA	NA
+PJ047716	ALLLLKY 	C42H72N8O9	832.5423	NA	PeJP	NA	NA
+PJ047717	SSKKKKK 	C36H72N12O10	832.5495	NA	PeJP	NA	NA
+PJ047718	GLLKKKF 	C41H72N10O8	832.5535	NA	PeJP	NA	NA
+EUR1102	SM(d18:1/22:0) [M+FA-H]-	C45H91N2O6P	832.666356	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1102	SM(d18:1/22:0) [M+FA-H]-	C45H91N2O6P	832.666356	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1102	SM(d18:1/22:0) [M+FA-H]-	C45H91N2O6P	832.666356	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1102	SM(d18:1/22:0) [M+FA-H]-	C45H91N2O6P	832.666356	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095797	Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate) 	C53H100O6	832.75199	NA	MeJP	NA	NA
+HMDB05360	TG(16:0/16:0/18:1(9Z))	C53H100O6	832.75201	http://www.hmdb.ca/metabolites/HMDB05360	HMDB	NA	NA
+HMDB05374	TG(16:0/16:1(9Z)/18:0)[iso6]	C53H100O6	832.75201	http://www.hmdb.ca/metabolites/HMDB05374	HMDB	NA	NA
+HMDB05360	TG(16:0/16:0/18:1(9Z))	C53H100O6	832.75201	HMDB05360	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05374	TG(16:0/16:1(9Z)/18:0)[iso6]	C53H100O6	832.75201	HMDB05374	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05360	TG(16:0/16:0/18:1(9Z))[iso3]	C53H100O6	832.752014	NA	HMDB2010	NA	NA
+HMDB05374	TG(16:0/16:1(9Z)/18:0)[iso6]	C53H100O6	832.752014	NA	HMDB2010	NA	NA
+HMDB10416	TG(16:0/16:0/18:1(11Z))[iso3]	C53H100O6	832.752014	NA	HMDB2010	NA	NA
+HMDB10428	TG(18:0/14:0/18:1(11Z))[iso6]	C53H100O6	832.752014	NA	HMDB2010	NA	NA
+HMDB10429	TG(18:0/14:0/18:1(9Z))[iso6]	C53H100O6	832.752014	NA	HMDB2010	NA	NA
+MJ095798	20(29)-Lupen-3-ol, Octacosanoyl 	C58H104O2	832.803632	NA	MeJP	NA	NA
+MJ095799	Hancolupenol; Octacosanoyl 	C58H104O2	832.803632	NA	MeJP	NA	NA
+PJ047719	GCCCCCNE 	C26H43N9O12S5	833.1635	NA	PeJP	NA	NA
+PJ047720	CCCCCNW 	C30H43N9O9S5	833.1788	NA	PeJP	NA	NA
+PJ047721	SSCCCCND 	C26H43N9O14S4	833.1813	NA	PeJP	NA	NA
+PJ047722	CCCDEMM 	C28H47N7O12S5	833.1887	NA	PeJP	NA	NA
+PJ047723	GSCCCCQM 	C27H47N9O11S5	833.1999	NA	PeJP	NA	NA
+PJ047724	CCCDDEF 	C31H43N7O14S3	833.2031	NA	PeJP	NA	NA
+PJ047725	CCCCEHH 	C29H43N11O10S4	833.2078	NA	PeJP	NA	NA
+PJ047726	GSCCCCCR 	C26H47N11O10S5	833.2111	NA	PeJP	NA	NA
+PJ047727	CDDDDDH 	C29H39N9O18S	833.2134	NA	PeJP	NA	NA
+PJ047728	CCCNNDY 	C30H43N9O13S3	833.2143	NA	PeJP	NA	NA
+PJ047729	SSSCCCNM 	C27H47N9O13S4	833.2176	NA	PeJP	NA	NA
+PJ047730	GGSSSCCCM 	C27H47N9O13S4	833.2177	NA	PeJP	NA	NA
+PJ047731	SCCDDEY 	C31H43N7O16S2	833.2208	NA	PeJP	NA	NA
+PJ047732	PCCCDMY 	C32H47N7O11S4	833.2217	NA	PeJP	NA	NA
+PJ047733	SCCEMMM 	C29H51N7O11S5	833.225	NA	PeJP	NA	NA
+PJ047734	CCCNNMF 	C31H47N9O10S4	833.2329	NA	PeJP	NA	NA
+PJ047735	GSSSSTCCC 	C27H47N9O15S3	833.2354	NA	PeJP	NA	NA
+PJ047736	GSCCCCKM 	C28H51N9O10S5	833.2363	NA	PeJP	NA	NA
+PJ047737	GCDDMMY 	C32H47N7O13S3	833.2394	NA	PeJP	NA	NA
+PJ047738	PCCCMMF 	C33H51N7O8S5	833.2403	NA	PeJP	NA	NA
+PJ047739	CCNNDEH 	C29H43N11O14S2	833.2433	NA	PeJP	NA	NA
+PJ047740	GCMMMMM 	C30H55N7O8S6	833.2437	NA	PeJP	NA	NA
+PJ047741	TCCCMHH 	C30H47N11O9S4	833.2441	NA	PeJP	NA	NA
+PJ047742	SDDDDMH 	C30H43N9O17S	833.2498	NA	PeJP	NA	NA
+PJ047743	SCCNNMY 	C31H47N9O12S3	833.2506	NA	PeJP	NA	NA
+PJ047744	GGSCCNMY 	C31H47N9O12S3	833.2507	NA	PeJP	NA	NA
+PJ047745	SSSSSSSCC 	C27H47N9O17S2	833.2531	NA	PeJP	NA	NA
+PJ047746	GCDDDFY 	C35H43N7O15S	833.2538	NA	PeJP	NA	NA
+PJ047747	SSTCCCCK 	C28H51N9O12S4	833.254	NA	PeJP	NA	NA
+PJ047748	CCEMYW 	C36H47N7O10S3	833.2547	NA	PeJP	NA	NA
+PJ047749	PDDDDEE 	C31H43N7O20	833.2563	NA	PeJP	NA	NA
+PJ047750	SSCDEMY 	C32H47N7O15S2	833.2572	NA	PeJP	NA	NA
+PJ047751	SPCCMMY 	C33H51N7O10S4	833.258	NA	PeJP	NA	NA
+PJ047752	GCDMMMF 	C33H51N7O10S4	833.2581	NA	PeJP	NA	NA
+PJ047753	GCCNDHW 	C33H43N11O11S2	833.2585	NA	PeJP	NA	NA
+PJ047754	GSSCNDDH 	C29H43N11O16S	833.261	NA	PeJP	NA	NA
+PJ047755	STCMMMM 	C30H55N7O10S5	833.2614	NA	PeJP	NA	NA
+PJ047756	GSPCCCQH 	C30H47N11O11S3	833.2619	NA	PeJP	NA	NA
+PJ047757	GSPNDDDD 	C30H43N9O19	833.2676	NA	PeJP	NA	NA
+PJ047758	GSSSCCQY 	C31H47N9O14S2	833.2684	NA	PeJP	NA	NA
+PJ047759	CCCCQKF 	C32H51N9O9S4	833.2693	NA	PeJP	NA	NA
+PJ047760	GSDDDYY 	C35H43N7O17	833.2716	NA	PeJP	NA	NA
+PJ047761	GPCCEYY 	C36H47N7O12S2	833.2724	NA	PeJP	NA	NA
+MJ095800	UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine 	C31H53N3O19P2	833.274849	NA	MeJP	NA	NA
+MetaCyc04159	UDP-3-O-(3-hydroxymyristoyl)-N-acetylglucosamine [UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;]	C31H53N3O19P2	833.27485	NA	metacyc	NA	NA
+C04738	UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine	C31H53N3O19P2	833.2749	NA	KEGG	NA	NA
+PJ047762	GSDMMMY 	C33H51N7O12S3	833.2758	NA	PeJP	NA	NA
+PJ047763	GCCMHHF 	C34H47N11O8S3	833.2772	NA	PeJP	NA	NA
+PJ047764	NNNNDDE 	C29H43N11O18	833.2788	NA	PeJP	NA	NA
+PJ047765	SCNNEMH 	C30H47N11O13S2	833.2796	NA	PeJP	NA	NA
+PJ047766	GGSCNEMH 	C30H47N11O13S2	833.2797	NA	PeJP	NA	NA
+PJ047767	GDDDEHF 	C34H43N9O16	833.2828	NA	PeJP	NA	NA
+PJ047768	DDMMHW 	C35H47N9O11S2	833.2837	NA	PeJP	NA	NA
+PJ047769	SSSSSCNY 	C31H47N9O16S	833.2862	NA	PeJP	NA	NA
+PJ047770	SCCCQKY 	C32H51N9O11S3	833.287	NA	PeJP	NA	NA
+PJ047771	GGTCCCKY 	C32H51N9O11S3	833.2871	NA	PeJP	NA	NA
+PJ047772	GCDEHHH 	C32H43N13O12S	833.2875	NA	PeJP	NA	NA
+PJ047773	PCCYYW 	C40H47N7O9S2	833.2877	NA	PeJP	NA	NA
+PJ047774	NDEMYY 	C36H47N7O14S	833.2902	NA	PeJP	NA	NA
+PJ047775	SCCNDHR 	C29H47N13O12S2	833.2909	NA	PeJP	NA	NA
+PJ047776	TCMMYW 	C37H51N7O9S3	833.2911	NA	PeJP	NA	NA
+PJ047777	SPDEEEE 	C32H47N7O19	833.2927	NA	PeJP	NA	NA
+PJ047778	SSSEMMY 	C33H51N7O14S2	833.2936	NA	PeJP	NA	NA
+PJ047779	GNNNDDW 	C33H43N11O15	833.294	NA	PeJP	NA	NA
+PJ047780	GGGNNDDW 	C33H43N11O15	833.2941	NA	PeJP	NA	NA
+PJ047781	QMMMMY 	C34H55N7O9S4	833.2944	NA	PeJP	NA	NA
+PJ047782	GSCNMHW 	C34H47N11O10S2	833.2949	NA	PeJP	NA	NA
+PJ047783	PCNDDDR 	C30H47N11O15S	833.2974	NA	PeJP	NA	NA
+PJ047784	DDDHFW 	C38H43N9O13	833.2981	NA	PeJP	NA	NA
+PJ047785	GNNMMMH 	C31H51N11O10S3	833.2983	NA	PeJP	NA	NA
+PJ047786	GPNDDMW 	C35H47N9O13S	833.3014	NA	PeJP	NA	NA
+PJ047787	GGGPDDMW 	C35H47N9O13S	833.3015	NA	PeJP	NA	NA
+PJ047788	PPCCMHF 	C36H51N9O8S3	833.3023	NA	PeJP	NA	NA
+PJ047789	CDHHHW 	C36H43N13O9S	833.3028	NA	PeJP	NA	NA
+PJ047790	GNQEEEE 	C31H47N9O18	833.3039	NA	PeJP	NA	NA
+PJ047791	GGGQEEEE 	C31H47N9O18	833.304	NA	PeJP	NA	NA
+PJ047792	GSSSCCKY 	C32H51N9O13S2	833.3048	NA	PeJP	NA	NA
+PJ047793	SSDDHHH 	C32H43N13O14	833.3053	NA	PeJP	NA	NA
+PJ047794	ACEYYW 	C40H47N7O11S	833.3054	NA	PeJP	NA	NA
+PJ047795	GDMYYW 	C40H47N7O11S	833.3055	NA	PeJP	NA	NA
+PJ047796	CMMMRY 	C33H55N9O8S4	833.3057	NA	PeJP	NA	NA
+PJ047797	PTCCHHH 	C33H47N13O9S2	833.3062	NA	PeJP	NA	NA
+PJ047798	GSTDEYY 	C36H47N7O16	833.3079	NA	PeJP	NA	NA
+PJ047799	GSSEEYY 	C36H47N7O16	833.308	NA	PeJP	NA	NA
+PJ047800	NNNNNNM 	C29H47N13O14S	833.3086	NA	PeJP	NA	NA
+PJ047801	GGGGNNNNM 	C29H47N13O14S	833.3087	NA	PeJP	NA	NA
+PJ047802	GPTCMYY 	C37H51N7O11S2	833.3088	NA	PeJP	NA	NA
+PJ047803	GCCQMHR 	C30H51N13O9S3	833.3095	NA	PeJP	NA	NA
+PJ047804	APEEEEM 	C33H51N7O16S	833.3113	NA	PeJP	NA	NA
+PJ047805	GTTMMMY 	C34H55N7O11S3	833.3122	NA	PeJP	NA	NA
+PJ047806	SSSCQHW 	C34H47N11O12S	833.3127	NA	PeJP	NA	NA
+PJ047807	GNDDEER 	C30H47N11O17	833.3152	NA	PeJP	NA	NA
+PJ047808	SSNQMMH 	C31H51N11O12S2	833.316	NA	PeJP	NA	NA
+PJ047809	GSPPCCDR 	C31H51N11O12S2	833.3161	NA	PeJP	NA	NA
+PJ047810	PCNEWW 	C39H47N9O10S	833.3167	NA	PeJP	NA	NA
+PJ047811	NQEEEW 	C35H47N9O15	833.3192	NA	PeJP	NA	NA
+PJ047812	TEMMHW 	C36H51N9O10S2	833.3201	NA	PeJP	NA	NA
+PJ047813	GCCCHRR 	C29H51N15O8S3	833.3208	NA	PeJP	NA	NA
+MJ095801	Cephabacin F; Cephabacin F7, N27-(L-Alanyl-L-seryl) 	C32H51N9O15S	833.322532	NA	MeJP	NA	NA
+PJ047814	STTEEMH 	C32H51N9O15S	833.3226	NA	PeJP	NA	NA
+PJ047815	SSEYYW 	C40H47N7O13	833.3232	NA	PeJP	NA	NA
+PJ047816	SCCCKKY 	C33H55N9O10S3	833.3234	NA	PeJP	NA	NA
+PJ047817	GGGGPPMMM 	C33H55N9O10S3	833.3235	NA	PeJP	NA	NA
+PJ047818	GSEMHHH 	C33H47N13O11S	833.3239	NA	PeJP	NA	NA
+PJ047819	GMMFYW 	C41H51N7O8S2	833.3241	NA	PeJP	NA	NA
+PJ047820	SNNNDDR 	C29H47N13O16	833.3264	NA	PeJP	NA	NA
+PJ047821	TQEMYY 	C37H51N7O13S	833.3266	NA	PeJP	NA	NA
+PJ047822	YYYYY 	C45H47N5O11	833.3272	NA	PeJP	NA	NA
+PJ047823	SSCNMHR 	C30H51N13O11S2	833.3273	NA	PeJP	NA	NA
+PJ047824	QMMMFF 	C38H55N7O8S3	833.3275	NA	PeJP	NA	NA
+PJ047825	CNQHFW 	C38H47N11O9S	833.3279	NA	PeJP	NA	NA
+PJ047826	GLEEEEE 	C33H51N7O18	833.3291	NA	PeJP	NA	NA
+PJ047827	STTTMMY 	C34H55N7O13S2	833.3299	NA	PeJP	NA	NA
+PJ047828	PPTEEMM 	C34H55N7O13S2	833.33	NA	PeJP	NA	NA
+PJ047829	NDDERW 	C34H47N11O14	833.3304	NA	PeJP	NA	NA
+PJ047830	GGGGGGGTEW 	C34H47N11O14	833.3305	NA	PeJP	NA	NA
+PJ047831	KMMMMY 	C35H59N7O8S4	833.3308	NA	PeJP	NA	NA
+PJ047832	GTCCKHW 	C35H51N11O9S2	833.3313	NA	PeJP	NA	NA
+PJ047833	GPCWWW 	C43H47N9O7S	833.332	NA	PeJP	NA	NA
+PJ047834	SPNDDMR 	C31H51N11O14S	833.3338	NA	PeJP	NA	NA
+PJ047835	GQEEWW 	C39H47N9O12	833.3344	NA	PeJP	NA	NA
+PJ047836	GGAEEWW 	C39H47N9O12	833.3345	NA	PeJP	NA	NA
+PJ047837	EMMMHR 	C32H55N11O9S3	833.3347	NA	PeJP	NA	NA
+PJ047838	GSPQEMW 	C36H51N9O12S	833.3378	NA	PeJP	NA	NA
+PJ047839	GDFFYW 	C44H47N7O10	833.3385	NA	PeJP	NA	NA
+PJ047840	VMMMHW 	C37H55N9O7S3	833.3387	NA	PeJP	NA	NA
+PJ047841	SMHHHW 	C37H47N13O8S	833.3392	NA	PeJP	NA	NA
+PJ047842	GNKEEEE 	C32H51N9O17	833.3403	NA	PeJP	NA	NA
+PJ047843	SSLEMMH 	C33H55N9O12S2	833.3412	NA	PeJP	NA	NA
+PJ047844	SSTEHHH 	C33H47N13O13	833.3417	NA	PeJP	NA	NA
+PJ047845	ATMYYW 	C41H51N7O10S	833.3418	NA	PeJP	NA	NA
+PJ047846	GGEMFFF 	C41H51N7O10S	833.3419	NA	PeJP	NA	NA
+PJ047847	AAMMHHH 	C34H51N13O8S2	833.3425	NA	PeJP	NA	NA
+PJ047848	GTTTEYY 	C37H51N7O15	833.3443	NA	PeJP	NA	NA
+PJ047849	LEEEEW 	C37H51N7O15	833.3444	NA	PeJP	NA	NA
+PJ047850	GSSSTCHR 	C30H51N13O13S	833.345	NA	PeJP	NA	NA
+PJ047851	GGGGGNEMR 	C30H51N13O13S	833.3451	NA	PeJP	NA	NA
+PJ047852	VQMMYY 	C38H55N7O10S2	833.3452	NA	PeJP	NA	NA
+PJ047853	GDDRWW 	C38H47N11O11	833.3457	NA	PeJP	NA	NA
+PJ047854	PPCCCRR 	C31H55N13O8S3	833.3459	NA	PeJP	NA	NA
+PJ047855	SPLEEEM 	C34H55N7O15S	833.3477	NA	PeJP	NA	NA
+PJ047856	PPVEMMM 	C35H59N7O10S3	833.3486	NA	PeJP	NA	NA
+PJ047857	SSSCKHW 	C35H51N11O11S	833.349	NA	PeJP	NA	NA
+PJ047858	GSPCERW 	C35H51N11O11S	833.3491	NA	PeJP	NA	NA
+PJ047859	QEWWW 	C43H47N9O9	833.3497	NA	PeJP	NA	NA
+PJ047860	SSSSTTQH 	C31H51N11O16	833.3515	NA	PeJP	NA	NA
+PJ047861	GSQEEER 	C31H51N11O16	833.3516	NA	PeJP	NA	NA
+PJ047862	GPNEMMR 	C32H55N11O11S2	833.3524	NA	PeJP	NA	NA
+PJ047863	GGGGGAPCKM 	C32H55N11O11S2	833.3525	NA	PeJP	NA	NA
+PJ047864	GNNQQHH 	C32H47N15O12	833.3529	NA	PeJP	NA	NA
+PJ047865	SPQMWW 	C40H51N9O9S	833.3531	NA	PeJP	NA	NA
+PJ047866	NKEEEW 	C36H51N9O14	833.3556	NA	PeJP	NA	NA
+PJ047867	GCNNDRR 	C29H51N15O12S	833.3563	NA	PeJP	NA	NA
+PJ047868	AAPQMMW 	C37H55N9O9S2	833.3564	NA	PeJP	NA	NA
+PJ047869	GPVNMMW 	C37H55N9O9S2	833.3565	NA	PeJP	NA	NA
+PJ047870	GSPNHHW 	C37H47N13O10	833.3569	NA	PeJP	NA	NA
+PJ047871	GMFFFW 	C45H51N7O7S	833.3571	NA	PeJP	NA	NA
+PJ047872	SPNKEEM 	C33H55N9O14S	833.3589	NA	PeJP	NA	NA
+PJ047873	GGSPKEEM 	C33H55N9O14S	833.359	NA	PeJP	NA	NA
+PJ047874	TTTYYW 	C41H51N7O12	833.3596	NA	PeJP	NA	NA
+PJ047875	ATLMMMH 	C34H59N9O9S3	833.3598	NA	PeJP	NA	NA
+PJ047876	NNNMRW 	C34H51N13O10S	833.3603	NA	PeJP	NA	NA
+3729	NA	YPFGFFG	833.361	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ095802	Taxol?; N-Debenzoyl, N-(2-methylbutanoyl) 	C45H55NO14	833.362255	NA	MeJP	NA	NA
+PJ047877	GSDDERR 	C30H51N13O15	833.3628	NA	PeJP	NA	NA
+PJ047878	TKEMYY 	C38H55N7O12S	833.363	NA	PeJP	NA	NA
+PJ047879	GPCDMRR 	C31H55N13O10S2	833.3637	NA	PeJP	NA	NA
+PJ047880	KMMMFF 	C39H59N7O7S3	833.3638	NA	PeJP	NA	NA
+PJ047881	SPCRWW 	C39H51N11O8S	833.3643	NA	PeJP	NA	NA
+PJ047882	AWWWW 	C47H47N9O6	833.365	NA	PeJP	NA	NA
+PJ047883	SVLEEEE 	C34H55N7O17	833.3655	NA	PeJP	NA	NA
+PJ047884	PVVEEMM 	C35H59N7O12S2	833.3663	NA	PeJP	NA	NA
+PJ047885	SQEERW 	C35H51N11O13	833.3668	NA	PeJP	NA	NA
+PJ047886	PNMMRW 	C36H55N11O8S2	833.3677	NA	PeJP	NA	NA
+PJ047887	AAQEEMR 	C32H55N11O13S	833.3702	NA	PeJP	NA	NA
+PJ047888	GKEEWW 	C40H51N9O11	833.3708	NA	PeJP	NA	NA
+PJ047889	GGAAPEFW 	C40H51N9O11	833.3709	NA	PeJP	NA	NA
+PJ047890	PPCCKMR 	C33H59N11O8S3	833.3711	NA	PeJP	NA	NA
+PJ047891	GPCQHHR 	C33H51N15O9S	833.3715	NA	PeJP	NA	NA
+PJ047892	AHHHFW 	C41H47N13O7	833.3722	NA	PeJP	NA	NA
+MJ095803	Tryptophylvalylvalylglycylaspartylvalylglutamine; 2-Methionine analogue 	C37H55N9O11S	833.374174	NA	MeJP	NA	NA
+PJ047893	GSPKEMW 	C37H55N9O11S	833.3742	NA	PeJP	NA	NA
+PJ047894	ATFFYW 	C45H51N7O9	833.3748	NA	PeJP	NA	NA
+PJ047895	GVFYYW 	C45H51N7O9	833.3749	NA	PeJP	NA	NA
+PJ047896	GDKKEEE 	C33H55N9O16	833.3767	NA	PeJP	NA	NA
+PJ047897	TTTLMMH 	C34H59N9O11S2	833.3776	NA	PeJP	NA	NA
+PJ047898	SDDRRW 	C34H51N13O12	833.378	NA	PeJP	NA	NA
+PJ047899	GGGSSQRW 	C34H51N13O12	833.3781	NA	PeJP	NA	NA
+PJ047900	VQMFFY 	C42H55N7O9S	833.3782	NA	PeJP	NA	NA
+PJ047901	SSTTLYY 	C38H55N7O14	833.3807	NA	PeJP	NA	NA
+PJ047902	NEEMRR 	C31H55N13O12S	833.3814	NA	PeJP	NA	NA
+PJ047903	GGGGGGGGCKK 	C31H55N13O12S	833.3815	NA	PeJP	NA	NA
+PJ047904	VKMMYY 	C39H59N7O9S2	833.3816	NA	PeJP	NA	NA
+PJ047905	GTERWW 	C39H51N11O10	833.3821	NA	PeJP	NA	NA
+PJ047906	ALLEEEM 	C35H59N7O14S	833.3841	NA	PeJP	NA	NA
+PJ047907	VNEMRW 	C36H55N11O10S	833.3854	NA	PeJP	NA	NA
+PJ047908	GGVEMRW 	C36H55N11O10S	833.3855	NA	PeJP	NA	NA
+PJ047909	KEWWW 	C44H51N9O8	833.3861	NA	PeJP	NA	NA
+PJ047910	GSKEEER 	C32H55N11O15	833.3879	NA	PeJP	NA	NA
+PJ047911	GGSSLEER 	C32H55N11O15	833.388	NA	PeJP	NA	NA
+PJ047912	GPDKMMR 	C33H59N11O10S2	833.3888	NA	PeJP	NA	NA
+PJ047913	QQEHHR 	C33H51N15O11	833.3893	NA	PeJP	NA	NA
+PJ047914	SPKMWW 	C41H55N9O8S	833.3895	NA	PeJP	NA	NA
+PJ047915	PTTTTQW 	C37H55N9O13	833.3919	NA	PeJP	NA	NA
+PJ047916	DKKEEW 	C37H55N9O13	833.392	NA	PeJP	NA	NA
+PJ047917	ASCNQRR 	C30H55N15O11S	833.3926	NA	PeJP	NA	NA
+PJ047918	CDERRR 	C30H55N15O11S	833.3927	NA	PeJP	NA	NA
+PJ047919	AAPKMMW 	C38H59N9O8S2	833.3928	NA	PeJP	NA	NA
+PJ047920	VQQHHW 	C38H51N13O9	833.3933	NA	PeJP	NA	NA
+PJ047921	GLQKEEM 	C34H59N9O13S	833.3953	NA	PeJP	NA	NA
+PJ047922	GGALKEEM 	C34H59N9O13S	833.3954	NA	PeJP	NA	NA
+PJ047923	PTKYYY 	C42H55N7O11	833.396	NA	PeJP	NA	NA
+PJ047924	PPCKKMM 	C35H63N9O8S3	833.3962	NA	PeJP	NA	NA
+PJ047925	GEMRRW 	C35H55N13O9S	833.3967	NA	PeJP	NA	NA
+MJ095804	Agardhipeptin A 	C43H51N11O7	833.397293	NA	MeJP	NA	NA
+PJ047926	TRWWW 	C43H51N11O7	833.3973	NA	PeJP	NA	NA
+7044	potential coeliac toxic peptide (extended motif)	PFPPQQPYPQPQPF	833.3975	MH2+	Inhouse_peptide	NA	peptide
+PJ047927	GSTEERR 	C31H55N13O14	833.3992	NA	PeJP	NA	NA
+PJ047928	PPVVEMY 	C39H59N7O11S	833.3994	NA	PeJP	NA	NA
+PJ047929	APTCMRR 	C32H59N13O9S2	833.4	NA	PeJP	NA	NA
+PJ047930	GSPMMRR 	C32H59N13O9S2	833.4001	NA	PeJP	NA	NA
+PJ047931	NDHHRR 	C32H51N17O10	833.4005	NA	PeJP	NA	NA
+PJ047932	GVMRWW 	C40H55N11O7S	833.4007	NA	PeJP	NA	NA
+PJ047933	TTLLEEE 	C35H59N7O16	833.4019	NA	PeJP	NA	NA
+PJ047934	PTLLEMM 	C36H63N7O11S2	833.4027	NA	PeJP	NA	NA
+PJ047935	SKEERW 	C36H55N11O12	833.4032	NA	PeJP	NA	NA
+3203	chymosin inhibitor (fr,99-105 of bovine k-casein)	PHPHLSF	833.404	celiac toxic	Inhouse_peptide	NA	peptide
+PJ047936	LMMHFR 	C37H59N11O7S2	833.4041	NA	PeJP	NA	NA
+PJ047937	AQHHRW 	C37H51N15O8	833.4045	NA	PeJP	NA	NA
+PJ047938	GAAHHRW 	C37H51N15O8	833.4046	NA	PeJP	NA	NA
+PJ047939	AAKEEMR 	C33H59N11O12S	833.4066	NA	PeJP	NA	NA
+PJ047940	SVKEWW 	C41H55N9O10	833.4072	NA	PeJP	NA	NA
+PJ047941	GPCKHHR 	C34H55N15O8S	833.4079	NA	PeJP	NA	NA
+PJ047942	SSSNQRR 	C30H55N15O13	833.4104	NA	PeJP	NA	NA
+PJ047943	LQKEMW 	C38H59N9O10S	833.4106	NA	PeJP	NA	NA
+PJ047944	VQFFFF 	C46H55N7O8	833.4112	NA	PeJP	NA	NA
+PJ047945	GGLFFFF 	C46H55N7O8	833.4113	NA	PeJP	NA	NA
+PJ047946	MRRWW 	C39H55N13O6S	833.4119	NA	PeJP	NA	NA
+PJ047947	ATKKEEE 	C34H59N9O15	833.4131	NA	PeJP	NA	NA
+PJ047948	APKKEMM 	C35H63N9O10S2	833.414	NA	PeJP	NA	NA
+PJ047949	STERRW 	C35H55N13O11	833.4144	NA	PeJP	NA	NA
+PJ047950	GGGGGVQFR 	C35H55N13O11	833.4145	NA	PeJP	NA	NA
+PJ047951	VKMFFY 	C43H59N7O8S	833.4146	NA	PeJP	NA	NA
+PJ047952	APLLEEY 	C39H59N7O13	833.4171	NA	PeJP	NA	NA
+PJ047953	DKEMRR 	C32H59N13O11S	833.4178	NA	PeJP	NA	NA
+PJ047954	PPVLMMF 	C40H63N7O8S2	833.418	NA	PeJP	NA	NA
+PJ047955	SSLRWW 	C40H55N11O9	833.4185	NA	PeJP	NA	NA
+PJ047956	SLLLEEM 	C36H63N7O13S	833.4205	NA	PeJP	NA	NA
+PJ047957	PVLLMMM 	C37H67N7O8S3	833.4214	NA	PeJP	NA	NA
+PJ047958	VDKMRW 	C37H59N11O9S	833.4218	NA	PeJP	NA	NA
+PJ047959	APKFWW 	C45H55N9O7	833.4225	NA	PeJP	NA	NA
+PJ047960	ATTKEER 	C33H59N11O14	833.4243	NA	PeJP	NA	NA
+PJ047961	APTKMMR 	C34H63N11O9S2	833.4252	NA	PeJP	NA	NA
+PJ047962	NNQFRR 	C34H55N15O10	833.4257	NA	PeJP	NA	NA
+PJ047963	ALKMWW 	C42H59N9O7S	833.4259	NA	PeJP	NA	NA
+PJ047964	GTTLKEW 	C38H59N9O12	833.4283	NA	PeJP	NA	NA
+PJ047965	GGSTTLLW 	C38H59N9O12	833.4284	NA	PeJP	NA	NA
+PJ047966	SEMRRR 	C31H59N15O10S	833.429	NA	PeJP	NA	NA
+PJ047967	GGGTCKRR 	C31H59N15O10S	833.4291	NA	PeJP	NA	NA
+PJ047968	GPRRYW 	C39H55N13O8	833.4297	NA	PeJP	NA	NA
+PJ047969	GLKKEEM 	C35H63N9O12S	833.4317	NA	PeJP	NA	NA
+PJ047970	VVKYYY 	C43H59N7O10	833.4324	NA	PeJP	NA	NA
+PJ047971	SVMRRW 	C36H59N13O8S	833.4331	NA	PeJP	NA	NA
+PJ047972	SSTQQKR 	C32H59N13O13	833.4355	NA	PeJP	NA	NA
+PJ047973	SSSLERR 	C32H59N13O13	833.4356	NA	PeJP	NA	NA
+PJ047974	PPTLLMY 	C40H63N7O10S	833.4357	NA	PeJP	NA	NA
+PJ047975	PVVLEMF 	C40H63N7O10S	833.4358	NA	PeJP	NA	NA
+PJ047976	LQMMRR 	C33H63N13O8S2	833.4364	NA	PeJP	NA	NA
+PJ047977	TQHHRR 	C33H55N17O9	833.4369	NA	PeJP	NA	NA
+PJ047978	VVLLEMM 	C37H67N7O10S2	833.4391	NA	PeJP	NA	NA
+PJ047979	GTTTLRW 	C37H59N11O11	833.4396	NA	PeJP	NA	NA
+PJ047980	AKHHRW 	C38H55N15O7	833.4409	NA	PeJP	NA	NA
+PJ047981	PTTTKMR 	C34H63N11O11S	833.4429	NA	PeJP	NA	NA
+PJ047982	GTLKEMR 	C34H63N11O11S	833.443	NA	PeJP	NA	NA
+PJ047983	TTLKWW 	C42H59N9O9	833.4436	NA	PeJP	NA	NA
+PJ047984	PCFRRR 	C35H59N15O7S	833.4443	NA	PeJP	NA	NA
+PJ047985	SSSNKRR 	C31H59N15O12	833.4468	NA	PeJP	NA	NA
+PJ047986	LKKEMW 	C39H63N9O9S	833.447	NA	PeJP	NA	NA
+PJ047987	VKFFFF 	C47H59N7O7	833.4476	NA	PeJP	NA	NA
+PJ047988	CLMRRR 	C32H63N15O7S2	833.4477	NA	PeJP	NA	NA
+PJ047989	STLKKEE 	C35H63N9O14	833.4495	NA	PeJP	NA	NA
+PJ047990	SPLKKMM 	C36H67N9O9S2	833.4503	NA	PeJP	NA	NA
+PJ047991	PVTKKMM 	C36H67N9O9S2	833.4504	NA	PeJP	NA	NA
+PJ047992	PDKRRY 	C36H59N13O10	833.4508	NA	PeJP	NA	NA
+PJ047993	SPLLLEY 	C40H63N7O12	833.4535	NA	PeJP	NA	NA
+PJ047994	GTTLMRR 	C33H63N13O10S	833.4542	NA	PeJP	NA	NA
+PJ047995	PTKFRW 	C41H59N11O8	833.4548	NA	PeJP	NA	NA
+PJ047996	GGVLFRW 	C41H59N11O8	833.4549	NA	PeJP	NA	NA
+PJ047997	TLKMRW 	C38H63N11O8S	833.4582	NA	PeJP	NA	NA
+PJ047998	STTLKER 	C34H63N11O13	833.4607	NA	PeJP	NA	NA
+PJ047999	GVLKMMR 	C35H67N11O8S2	833.4616	NA	PeJP	NA	NA
+PJ048000	SPRRRY 	C35H59N15O9	833.4621	NA	PeJP	NA	NA
+PJ048001	SSTLLKW 	C39H63N9O11	833.4647	NA	PeJP	NA	NA
+PJ048002	GGGAALLLY 	C39H63N9O11	833.4648	NA	PeJP	NA	NA
+PJ048003	GSCKKRR 	C32H63N15O9S	833.4654	NA	PeJP	NA	NA
+PJ048004	GLFRRW 	C40H59N13O7	833.4661	NA	PeJP	NA	NA
+PJ048005	SVLKKEM 	C36H67N9O11S	833.4681	NA	PeJP	NA	NA
+MJ095805	Myxochromide A 	C44H63N7O9	833.468726	NA	MeJP	NA	NA
+PJ048006	PPVVLFY 	C44H63N7O9	833.4688	NA	PeJP	NA	NA
+PJ048007	PKMFRR 	C37H63N13O7S	833.4695	NA	PeJP	NA	NA
+PJ048008	STTTLRR 	C33H63N13O12	833.4719	NA	PeJP	NA	NA
+PJ048009	GGSTTKKR 	C33H63N13O12	833.472	NA	PeJP	NA	NA
+PJ048010	PVVLLMY 	C41H67N7O9S	833.4721	NA	PeJP	NA	NA
+PJ048011	LKMMRR 	C34H67N13O7S2	833.4728	NA	PeJP	NA	NA
+PJ048012	TKHHRR 	C34H59N17O8	833.4733	NA	PeJP	NA	NA
+2587	tenecin-1 (33-42)	YCNGKRVCVC~	833.4739	NA	Inhouse_peptide	NA	peptide
+PJ048013	TLLLLMM 	C38H71N7O9S2	833.4755	NA	PeJP	NA	NA
+PJ048014	GSTKKKW 	C38H63N11O10	833.476	NA	PeJP	NA	NA
+PJ048015	SSLLKMR 	C35H67N11O10S	833.4793	NA	PeJP	NA	NA
+PJ048016	GDKKKKM 	C35H67N11O10S	833.4794	NA	PeJP	NA	NA
+PJ048017	PLKKYW 	C43H63N9O8	833.48	NA	PeJP	NA	NA
+PJ048018	APLKKMF 	C40H67N9O8S	833.4834	NA	PeJP	NA	NA
+PJ048019	SSSSLLLK 	C36H67N9O13	833.4859	NA	PeJP	NA	NA
+PJ048020	ALLKKMM 	C37H71N9O8S2	833.4867	NA	PeJP	NA	NA
+PJ048021	VLQRRY 	C37H63N13O9	833.4872	NA	PeJP	NA	NA
+PJ048022	ALLLLEY 	C41H67N7O11	833.4899	NA	PeJP	NA	NA
+PJ048023	GSKKKMR 	C34H67N13O9S	833.4906	NA	PeJP	NA	NA
+PJ048024	VVKFRW 	C42H63N11O7	833.4912	NA	PeJP	NA	NA
+PJ048025	SSKKKKE 	C35H67N11O12	833.4971	NA	PeJP	NA	NA
+PJ048026	ALRRRY 	C36H63N15O8	833.4984	NA	PeJP	NA	NA
+PJ048027	GPVLHRR 	C36H63N15O8	833.4985	NA	PeJP	NA	NA
+PJ048028	SPVLKKY 	C40H67N9O10	833.5011	NA	PeJP	NA	NA
+PJ048029	TTLLKKM 	C37H71N9O10S	833.5045	NA	PeJP	NA	NA
+PJ048030	PVVLLFF 	C45H67N7O8	833.5052	NA	PeJP	NA	NA
+PJ048031	SSTKKKR 	C34H67N13O11	833.5083	NA	PeJP	NA	NA
+PJ048032	VVLLLMF 	C42H71N7O8S	833.5085	NA	PeJP	NA	NA
+PJ048033	PLHRRR 	C35H63N17O7	833.5097	NA	PeJP	NA	NA
+PJ048034	AALLKRY 	C39H67N11O9	833.5124	NA	PeJP	NA	NA
+PJ048035	ATKKKKM 	C36H71N11O9S	833.5157	NA	PeJP	NA	NA
+PJ048036	LLKKFW 	C44H67N9O7	833.5164	NA	PeJP	NA	NA
+HMDB12395	PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H76NO10P	833.520691	NA	HMDB2010	NA	NA
+HMDB12427	PS(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C46H76NO10P	833.520691	NA	HMDB2010	NA	NA
+HMDB12437	PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C46H76NO10P	833.520691	NA	HMDB2010	NA	NA
+HMDB12445	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	C46H76NO10P	833.520691	NA	HMDB2010	NA	NA
+PJ048037	VLKRRY 	C38H67N13O8	833.5236	NA	PeJP	NA	NA
+PJ048038	SLLLLLY 	C42H71N7O10	833.5263	NA	PeJP	NA	NA
+PJ048039	TTTKKKK 	C36H71N11O11	833.5335	NA	PeJP	NA	NA
+PJ048040	GLLLKKY 	C41H71N9O9	833.5375	NA	PeJP	NA	NA
+PJ048041	GVKKKKF 	C40H71N11O8	833.5487	NA	PeJP	NA	NA
+MJ095806	Aurilide 	C44H75N5O10	833.551393	NA	MeJP	NA	NA
+PJ048042	KKKKFR 	C39H71N13O7	833.56	NA	PeJP	NA	NA
+PJ048043	LLLLLLH 	C42H75N9O8	833.5739	NA	PeJP	NA	NA
+EUR990	PC 38:3 [M+Na]+	C46H86NO8P	833.591053	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR990	PC 38:3 [M+Na]+	C46H86NO8P	833.591053	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR990	PC 38:3 [M+Na]+	C46H86NO8P	833.591053	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR990	PC 38:3 [M+Na]+	C46H86NO8P	833.591053	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08057	PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08088	PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08089	PC(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08121	PC(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08122	PC(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08153	PC(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08251	PC(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08314	PC(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08345	PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08346	PC(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08376	PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08377	PC(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08408	PC(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08409	PC(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08440	PC(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08473	PC(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08505	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08601	PC(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08631	PC(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08662	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08663	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08695	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08696	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+HMDB08727	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	C48H84NO8P	833.593445	NA	HMDB2010	NA	NA
+EUR1014	PC 40:6 monoisotopic mass 	C48H84NO8P	833.593457	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1014	PC 40:6 monoisotopic mass 	C48H84NO8P	833.593457	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1014	PC 40:6 monoisotopic mass 	C48H84NO8P	833.593457	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1014	PC 40:6 monoisotopic mass 	C48H84NO8P	833.593457	masses lipides attendues	Inhousejuil11	NA	NA
+EUR962	PC 36:1 [M+FA-H]-	C44H86NO8P	833.613987	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR962	PC 36:1 [M+FA-H]-	C44H86NO8P	833.613987	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR962	PC 36:1 [M+FA-H]-	C44H86NO8P	833.613987	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR962	PC 36:1 [M+FA-H]-	C44H86NO8P	833.613987	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1125	SM(d18:1/24:2) [M+Na]+	C47H92N2O6P	833.651247	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1125	SM(d18:1/24:2) [M+Na]+	C47H92N2O6P	833.651247	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1125	SM(d18:1/24:2) [M+Na]+	C47H92N2O6P	833.651247	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1125	SM(d18:1/24:2) [M+Na]+	C47H92N2O6P	833.651247	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1139	SM(d18:1/26:5) monoisotopic mass 	C49H90N2O6P	833.653651	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1139	SM(d18:1/26:5) monoisotopic mass 	C49H90N2O6P	833.653651	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1139	SM(d18:1/26:5) monoisotopic mass 	C49H90N2O6P	833.653651	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1139	SM(d18:1/26:5) monoisotopic mass 	C49H90N2O6P	833.653651	masses lipides attendues	Inhousejuil11	NA	NA
+PJ048044	GCCCCCDE 	C26H42N8O13S5	834.1475	NA	PeJP	NA	NA
+PJ048045	CCCCCDW 	C30H42N8O10S5	834.1628	NA	PeJP	NA	NA
+PJ048046	SSCCCCDD 	C26H42N8O15S4	834.1653	NA	PeJP	NA	NA
+PJ048047	PTCCCCCC 	C27H46N8O10S6	834.1662	NA	PeJP	NA	NA
+PJ048048	GSCCCCEM 	C27H46N8O12S5	834.1839	NA	PeJP	NA	NA
+PJ048049	CCCNDDY 	C30H42N8O14S3	834.1983	NA	PeJP	NA	NA
+PJ048050	SCCCCMW 	C31H46N8O9S5	834.1992	NA	PeJP	NA	NA
+PJ048051	SSSCCCDM 	C27H46N8O14S4	834.2017	NA	PeJP	NA	NA
+PJ048052	CCCNMMM 	C28H50N8O9S6	834.2025	NA	PeJP	NA	NA
+MJ095807	10-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol 	C45H38O16	834.215985	NA	MeJP	NA	NA
+MJ095808	3,3',4',7-Tetrahydroxyflavan(4?8)-3,3',4',6,8-pentahydroxyflavan(6?4)-3,3',4',7-tetrahydroxyflavan 	C45H38O16	834.215985	NA	MeJP	NA	NA
+MJ095809	3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4,4',5,7-pentahydroxyflavan 	C45H38O16	834.215985	NA	MeJP	NA	NA
+MJ095810	4,8-Bis(2,4-dihydroxyphenyl)2,6,10-tris(3,4-dihydroxyphenyl)-3,4,7,8,11,12-hexahydro-2H,6H,10H-benzo[1,2-b,3,4-b',5,6-b'']tripyran-3,7,11-triol 	C45H38O16	834.215985	NA	MeJP	NA	NA
+MJ095811	4-(2,4-Dihydroxyphenyl)-2,8-bis(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-4-yl]-3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3,5,9-triol 	C45H38O16	834.215985	NA	MeJP	NA	NA
+C10225	ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol	C45H38O16	834.216	NA	KEGG	NA	NA
+PJ048053	GSPCCCCY 	C31H46N8O11S4	834.2169	NA	PeJP	NA	NA
+PJ048054	GSTCCCMM 	C28H50N8O11S5	834.2203	NA	PeJP	NA	NA
+PJ048055	CCNDDEH 	C29H42N10O15S2	834.2273	NA	PeJP	NA	NA
+PJ048056	ACCCCFW 	C35H46N8O8S4	834.2322	NA	PeJP	NA	NA
+PJ048057	SCCNDMY 	C31H46N8O13S3	834.2347	NA	PeJP	NA	NA
+MJ095812	Aloeemodin dianthrone; 5,5'-Di-O-D-glucopyranoside 	C42H42O18	834.237114	NA	MeJP	NA	NA
+PJ048058	SSSSCCMM 	C28H50N8O13S4	834.238	NA	PeJP	NA	NA
+PJ048059	GCCDDHW 	C33H42N10O12S2	834.2425	NA	PeJP	NA	NA
+PJ048060	GSSCDDDH 	C29H42N10O17S	834.2451	NA	PeJP	NA	NA
+PJ048061	GSPCCCEH 	C30H46N10O12S3	834.2459	NA	PeJP	NA	NA
+PJ048062	GTCCCYW 	C35H46N8O10S3	834.2499	NA	PeJP	NA	NA
+PJ048063	GSPDDDDD 	C30H42N8O20	834.2516	NA	PeJP	NA	NA
+PJ048064	GSSSCCEY 	C31H46N8O15S2	834.2524	NA	PeJP	NA	NA
+PJ048065	GPPCCDDE 	C31H46N8O15S2	834.2525	NA	PeJP	NA	NA
+PJ048066	GCCQMMY 	C32H50N8O10S4	834.2533	NA	PeJP	NA	NA
+PJ048067	CCNNNMH 	C29H46N12O11S3	834.2571	NA	PeJP	NA	NA
+PJ048068	GGCCNNMH 	C29H46N12O11S3	834.2572	NA	PeJP	NA	NA
+PJ048069	SPCCCHW 	C34H46N10O9S3	834.2612	NA	PeJP	NA	NA
+PJ048070	NNNDDDE 	C29H42N10O19	834.2628	NA	PeJP	NA	NA
+PJ048071	SCNDEMH 	C30H46N10O14S2	834.2637	NA	PeJP	NA	NA
+PJ048072	GCCCMRY 	C31H50N10O9S4	834.2645	NA	PeJP	NA	NA
+PJ048073	GGPCCMMH 	C31H50N10O9S4	834.2646	NA	PeJP	NA	NA
+PJ048074	SSSCCYW 	C35H46N8O12S2	834.2677	NA	PeJP	NA	NA
+PJ048075	SSSSSCDY 	C31H46N8O17S	834.2702	NA	PeJP	NA	NA
+PJ048076	SSCNMMY 	C32H50N8O12S3	834.271	NA	PeJP	NA	NA
+PJ048077	GGSSCMMY 	C32H50N8O12S3	834.2711	NA	PeJP	NA	NA
+PJ048078	DDEMYY 	C36H46N6O15S	834.2742	NA	PeJP	NA	NA
+PJ048079	SCCDDHR 	C29H46N12O13S2	834.2749	NA	PeJP	NA	NA
+PJ048080	GNNDDDW 	C33H42N10O16	834.2781	NA	PeJP	NA	NA
+PJ048081	EMMMMY 	C34H54N6O10S4	834.2785	NA	PeJP	NA	NA
+PJ048082	GSCDMHW 	C34H46N10O11S2	834.2789	NA	PeJP	NA	NA
+PJ048083	PCDDDDR 	C30H46N10O16S	834.2814	NA	PeJP	NA	NA
+PJ048084	GGGGGSPCDE 	C30H46N10O16S	834.2815	NA	PeJP	NA	NA
+PJ048085	STCCCRY 	C31H50N10O11S3	834.2823	NA	PeJP	NA	NA
+PJ048086	CCNFYW 	C39H46N8O9S2	834.2829	NA	PeJP	NA	NA
+PJ048087	GGCCFYW 	C39H46N8O9S2	834.283	NA	PeJP	NA	NA
+PJ048088	GSCNEYY 	C35H46N8O14S	834.2854	NA	PeJP	NA	NA
+PJ048089	GPDDDMW 	C35H46N8O14S	834.2855	NA	PeJP	NA	NA
+PJ048090	GCCQMFF 	C36H50N8O9S3	834.2863	NA	PeJP	NA	NA
+PJ048091	GNEEEEE 	C31H46N8O19	834.288	NA	PeJP	NA	NA
+PJ048092	GSSSTCMY 	C32H50N8O14S2	834.2888	NA	PeJP	NA	NA
+PJ048093	GCCKMMY 	C33H54N8O9S4	834.2897	NA	PeJP	NA	NA
+PJ048094	SSSSCNNH 	C29H46N12O15S	834.2927	NA	PeJP	NA	NA
+PJ048095	DEMMFY 	C37H50N6O12S2	834.2928	NA	PeJP	NA	NA
+PJ048096	GCCEMHR 	C30H50N12O10S3	834.2935	NA	PeJP	NA	NA
+PJ048097	GGGACCCKH 	C30H50N12O10S3	834.2936	NA	PeJP	NA	NA
+PJ048098	TCCHWW 	C38H46N10O8S2	834.2942	NA	PeJP	NA	NA
+PJ048099	SSSCEHW 	C34H46N10O13S	834.2967	NA	PeJP	NA	NA
+PJ048100	CQMMHW 	C35H50N10O8S3	834.2976	NA	PeJP	NA	NA
+PJ048101	GDDDEER 	C30H46N10O18	834.2992	NA	PeJP	NA	NA
+PJ048102	SSNEMMH 	C31H50N10O13S2	834.3	NA	PeJP	NA	NA
+PJ048103	GGSSEMMH 	C31H50N10O13S2	834.3001	NA	PeJP	NA	NA
+PJ048104	PCDEWW 	C39H46N8O11S	834.3007	NA	PeJP	NA	NA
+PJ048105	GCNMHHH 	C32H46N14O9S2	834.3014	NA	PeJP	NA	NA
+PJ048106	NEEEEW 	C35H46N8O16	834.3032	NA	PeJP	NA	NA
+PJ048107	SPPCDMW 	C36H50N8O11S2	834.3041	NA	PeJP	NA	NA
+PJ048108	SSSSSSMY 	C32H50N8O16S	834.3066	NA	PeJP	NA	NA
+PJ048109	PDDYYY 	C40H46N6O14	834.3072	NA	PeJP	NA	NA
+PJ048110	STCCKMY 	C33H54N8O11S3	834.3074	NA	PeJP	NA	NA
+PJ048111	GGPPDMMM 	C33H54N8O11S3	834.3075	NA	PeJP	NA	NA
+PJ048112	GCNNNQW 	C33H46N12O12S	834.3079	NA	PeJP	NA	NA
+PJ048113	GGGGGGGGACW 	C33H46N12O12S	834.308	NA	PeJP	NA	NA
+PJ048114	CCMHRW 	C34H50N12O7S3	834.3088	NA	PeJP	NA	NA
+PJ048115	SNNDDDR 	C29H46N12O17	834.3104	NA	PeJP	NA	NA
+PJ048116	GGGGGGGGGSSE 	C29H46N12O17	834.3105	NA	PeJP	NA	NA
+PJ048117	TEEMYY 	C37H50N6O14S	834.3106	NA	PeJP	NA	NA
+PJ048118	SSCDMHR 	C30H50N12O12S2	834.3113	NA	PeJP	NA	NA
+PJ048119	PMMMYY 	C38H54N6O9S3	834.3115	NA	PeJP	NA	NA
+PJ048120	CNEHFW 	C38H46N10O10S	834.3119	NA	PeJP	NA	NA
+PJ048121	GGCEHFW 	C38H46N10O10S	834.312	NA	PeJP	NA	NA
+PJ048122	GSNNEEW 	C34H46N10O15	834.3144	NA	PeJP	NA	NA
+PJ048123	DDDERW 	C34H46N10O15	834.3145	NA	PeJP	NA	NA
+PJ048124	GSSMMHW 	C35H50N10O10S2	834.3153	NA	PeJP	NA	NA
+MJ095813	Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C37H54O21	834.315758	NA	MeJP	NA	NA
+MJ095814	Nagilactone A; 1-Deoxy, 2?-hydroxy, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C37H54O21	834.315758	NA	MeJP	NA	NA
+PJ048125	SPDDDMR 	C31H50N10O15S	834.3178	NA	PeJP	NA	NA
+PJ048126	GEEEWW 	C39H46N8O13	834.3185	NA	PeJP	NA	NA
+PJ048127	PPCCEMR 	C32H54N10O10S3	834.3187	NA	PeJP	NA	NA
+PJ048128	SSCQHHH 	C32H46N14O11S	834.3191	NA	PeJP	NA	NA
+PJ048129	GGSTCHHH 	C32H46N14O11S	834.3192	NA	PeJP	NA	NA
+PJ048130	GSPEEMW 	C36H50N8O13S	834.3218	NA	PeJP	NA	NA
+PJ048131	GGPPDDMF 	C36H50N8O13S	834.3219	NA	PeJP	NA	NA
+PJ048132	APPCMMW 	C37H54N8O8S3	834.3227	NA	PeJP	NA	NA
+PJ048133	GDKEEEE 	C32H50N8O18	834.3243	NA	PeJP	NA	NA
+PJ048134	GAATEEEE 	C32H50N8O18	834.3244	NA	PeJP	NA	NA
+MJ095815	Cratoxyxanthone 	C48H50O13	834.325141	NA	MeJP	NA	NA
+PJ048135	APQEEMM 	C33H54N8O13S2	834.3252	NA	PeJP	NA	NA
+PJ048136	SSNNNNW 	C33H46N12O14	834.3257	NA	PeJP	NA	NA
+PJ048137	PDMFYY 	C41H50N6O11S	834.3259	NA	PeJP	NA	NA
+PJ048138	GPCCHRY 	C34H50N12O9S2	834.3265	NA	PeJP	NA	NA
+PJ048139	GPCCNRW 	C34H50N12O9S2	834.3266	NA	PeJP	NA	NA
+PJ048140	GCHFWW 	C42H46N10O7S	834.3272	NA	PeJP	NA	NA
+PJ048141	ANNDDMR 	C30H50N12O14S	834.329	NA	PeJP	NA	NA
+PJ048142	GNNDEMR 	C30H50N12O14S	834.3291	NA	PeJP	NA	NA
+PJ048143	VEMMYY 	C38H54N6O11S2	834.3292	NA	PeJP	NA	NA
+PJ048144	SNNEWW 	C38H46N10O12	834.3297	NA	PeJP	NA	NA
+PJ048145	GTCMMHR 	C31H54N12O9S3	834.3299	NA	PeJP	NA	NA
+PJ048146	SSSTMHW 	C35H50N10O12S	834.3331	NA	PeJP	NA	NA
+PJ048147	EEWWW 	C43H46N8O10	834.3337	NA	PeJP	NA	NA
+PJ048148	CKMMHW 	C36H54N10O7S3	834.3339	NA	PeJP	NA	NA
+PJ048149	GSEEEER 	C31H50N10O17	834.3356	NA	PeJP	NA	NA
+PJ048150	APDDMMR 	C32H54N10O12S2	834.3364	NA	PeJP	NA	NA
+PJ048151	GPDEMMR 	C32H54N10O12S2	834.3365	NA	PeJP	NA	NA
+PJ048152	GSSSSHHH 	C32H46N14O13	834.3369	NA	PeJP	NA	NA
+PJ048153	SPEMWW 	C40H50N8O10S	834.3371	NA	PeJP	NA	NA
+PJ048154	ACCKHHH 	C33H50N14O8S2	834.3378	NA	PeJP	NA	NA
+PJ048155	DKEEEW 	C36H50N8O15	834.3396	NA	PeJP	NA	NA
+PJ048156	GCNDDRR 	C29H50N14O13S	834.3403	NA	PeJP	NA	NA
+PJ048157	AAPEMMW 	C37H54N8O10S2	834.3405	NA	PeJP	NA	NA
+PJ048158	GSPDHHW 	C37H46N12O11	834.3409	NA	PeJP	NA	NA
+PJ048159	GLQEEEM 	C33H54N8O15S	834.343	NA	PeJP	NA	NA
+PJ048160	PTEYYY 	C41H50N6O13	834.3436	NA	PeJP	NA	NA
+PJ048161	PPTQMMM 	C34H58N8O10S3	834.3438	NA	PeJP	NA	NA
+PJ048162	NNDMRW 	C34H50N12O11S	834.3443	NA	PeJP	NA	NA
+PJ048163	PMMFFY 	C42H54N6O8S2	834.3445	NA	PeJP	NA	NA
+PJ048164	GSNWWW 	C42H46N10O9	834.345	NA	PeJP	NA	NA
+PJ048165	MHHHHH 	C35H46N16O7S	834.3457	NA	PeJP	NA	NA
+PJ048166	SSNNEER 	C30H50N12O16	834.3468	NA	PeJP	NA	NA
+PJ048167	SSSMMHR 	C31H54N12O11S2	834.3477	NA	PeJP	NA	NA
+PJ048168	LMMMFY 	C39H58N6O8S3	834.3479	NA	PeJP	NA	NA
+PJ048169	GQQMWW 	C39H50N10O9S	834.3483	NA	PeJP	NA	NA
+PJ048170	SEEERW 	C35H50N10O14	834.3508	NA	PeJP	NA	NA
+PJ048171	GGGGGAAPEY 	C35H50N10O14	834.3509	NA	PeJP	NA	NA
+PJ048172	PDMMRW 	C36H54N10O9S2	834.3517	NA	PeJP	NA	NA
+PJ048173	NNQHHW 	C36H46N14O10	834.3522	NA	PeJP	NA	NA
+PJ048174	PPCFWW 	C44H50N8O7S	834.3524	NA	PeJP	NA	NA
+PJ048175	AAEEEMR 	C32H54N10O14S	834.3542	NA	PeJP	NA	NA
+PJ048176	SVEEWW 	C40H50N8O12	834.3548	NA	PeJP	NA	NA
+PJ048177	TLDDWW 	C40H50N8O12	834.3549	NA	PeJP	NA	NA
+PJ048178	PPTCMMR 	C33H58N10O9S3	834.3551	NA	PeJP	NA	NA
+PJ048179	APCDHHR 	C33H50N14O10S	834.3555	NA	PeJP	NA	NA
+PJ048180	GPCEHHR 	C33H50N14O10S	834.3556	NA	PeJP	NA	NA
+PJ048181	PCLMWW 	C41H54N8O7S2	834.3557	NA	PeJP	NA	NA
+PJ048182	GSSSNNNR 	C29H50N14O15	834.358	NA	PeJP	NA	NA
+PJ048183	GGGGGSSSNR 	C29H50N14O15	834.3581	NA	PeJP	NA	NA
+PJ048184	LQEEMW 	C37H54N8O12S	834.3582	NA	PeJP	NA	NA
+PJ048185	PDFFFY 	C45H50N6O10	834.3589	NA	PeJP	NA	NA
+PJ048186	GCQRWW 	C38H50N12O8S	834.3596	NA	PeJP	NA	NA
+PJ048187	ATKEEEE 	C33H54N8O17	834.3607	NA	PeJP	NA	NA
+PJ048188	APKEEMM 	C34H58N8O12S2	834.3616	NA	PeJP	NA	NA
+PJ048189	GSSNERW 	C34H50N12O13	834.3621	NA	PeJP	NA	NA
+PJ048190	PVMYYY 	C42H54N6O10S	834.3622	NA	PeJP	NA	NA
+PJ048191	NMMHFR 	C35H54N12O8S2	834.3629	NA	PeJP	NA	NA
+PJ048192	GPNHHHH 	C35H46N16O9	834.3634	NA	PeJP	NA	NA
+PJ048193	DEEMRR 	C31H54N12O13S	834.3654	NA	PeJP	NA	NA
+PJ048194	GGGGATEMR 	C31H54N12O13S	834.3655	NA	PeJP	NA	NA
+PJ048195	SNDKWW 	C39H50N10O11	834.3661	NA	PeJP	NA	NA
+PJ048196	NQKEMW 	C36H54N10O11S	834.3694	NA	PeJP	NA	NA
+PJ048197	VDEMRW 	C36H54N10O11S	834.3695	NA	PeJP	NA	NA
+PJ048198	SPPYWW 	C44H50N8O9	834.3701	NA	PeJP	NA	NA
+PJ048199	PCHHRW 	C37H50N14O7S	834.3708	NA	PeJP	NA	NA
+PJ048200	SSTTTTTH 	C32H54N10O16	834.3719	NA	PeJP	NA	NA
+PJ048201	ATTEEER 	C32H54N10O16	834.372	NA	PeJP	NA	NA
+PJ048202	APTEMMR 	C33H58N10O11S2	834.3728	NA	PeJP	NA	NA
+PJ048203	GGGGGGVLMM 	C33H58N10O11S2	834.3729	NA	PeJP	NA	NA
+PJ048204	GNNNNFR 	C33H50N14O12	834.3733	NA	PeJP	NA	NA
+PJ048205	ALEMWW 	C41H54N8O9S	834.3735	NA	PeJP	NA	NA
+PJ048206	GTTLEEW 	C37H54N8O14	834.376	NA	PeJP	NA	NA
+PJ048207	GSNDMRR 	C30H54N14O12S	834.3767	NA	PeJP	NA	NA
+PJ048208	GPTLMMW 	C38H58N8O9S2	834.3768	NA	PeJP	NA	NA
+PJ048209	ASPLMMW 	C38H58N8O9S2	834.3769	NA	PeJP	NA	NA
+PJ048210	SSNRWW 	C38H50N12O10	834.3773	NA	PeJP	NA	NA
+PJ048211	PMFFFF 	C46H54N6O7S	834.3775	NA	PeJP	NA	NA
+PJ048212	PTTKEEM 	C34H58N8O14S	834.3793	NA	PeJP	NA	NA
+PJ048213	GLKEEEM 	C34H58N8O14S	834.3794	NA	PeJP	NA	NA
+PJ048214	VVEYYY 	C42H54N6O12	834.38	NA	PeJP	NA	NA
+PJ048215	PPTKMMM 	C35H62N8O9S3	834.3802	NA	PeJP	NA	NA
+PJ048216	SQQMRW 	C35H54N12O10S	834.3807	NA	PeJP	NA	NA
+PJ048217	LMMFFF 	C43H58N6O7S2	834.3809	NA	PeJP	NA	NA
+PJ048218	AQHFFW 	C43H50N10O8	834.3813	NA	PeJP	NA	NA
+PJ048219	GAAHFFW 	C43H50N10O8	834.3814	NA	PeJP	NA	NA
+PJ048220	SSNDKER 	C31H54N12O15	834.3832	NA	PeJP	NA	NA
+PJ048221	AAQQMMR 	C32H58N12O10S2	834.3841	NA	PeJP	NA	NA
+PJ048222	DDHHRR 	C32H50N16O11	834.3845	NA	PeJP	NA	NA
+PJ048223	GGGGGTHHR 	C32H50N16O11	834.3846	NA	PeJP	NA	NA
+PJ048224	GQKMWW 	C40H54N10O8S	834.3847	NA	PeJP	NA	NA
+PJ048225	GSTQKEW 	C36H54N10O13	834.3872	NA	PeJP	NA	NA
+PJ048226	APCCKKW 	C37H58N10O8S2	834.3881	NA	PeJP	NA	NA
+PJ048227	NKHHHY 	C37H50N14O9	834.3885	NA	PeJP	NA	NA
+PJ048228	AEHHRW 	C37H50N14O9	834.3886	NA	PeJP	NA	NA
+PJ048229	GTLEEMR 	C33H58N10O13S	834.3906	NA	PeJP	NA	NA
+PJ048230	TTLEWW 	C41H54N8O11	834.3912	NA	PeJP	NA	NA
+PJ048231	GAAPPEFF 	C41H54N8O11	834.3913	NA	PeJP	NA	NA
+PJ048232	GPLMMMR 	C34H62N10O8S3	834.3915	NA	PeJP	NA	NA
+PJ048233	SCQRRW 	C34H54N14O9S	834.3919	NA	PeJP	NA	NA
+PJ048234	GLHHWW 	C42H50N12O7	834.3926	NA	PeJP	NA	NA
+PJ048235	SSSNERR 	C30H54N14O14	834.3944	NA	PeJP	NA	NA
+MJ095816	Glabrin B 	C38H58N8O11S	834.394575	NA	MeJP	NA	NA
+PJ048236	LKEEMW 	C38H58N8O11S	834.3946	NA	PeJP	NA	NA
+PJ048237	PVFFYY 	C46H54N6O9	834.3953	NA	PeJP	NA	NA
+PJ048238	GCKRWW 	C39H54N12O7S	834.396	NA	PeJP	NA	NA
+PJ048239	STLKEEE 	C34H58N8O16	834.3971	NA	PeJP	NA	NA
+PJ048240	SPLKEMM 	C35H62N8O11S2	834.398	NA	PeJP	NA	NA
+PJ048241	GSTTQRW 	C35H54N12O12	834.3984	NA	PeJP	NA	NA
+PJ048242	GSSDKRW 	C35H54N12O12	834.3985	NA	PeJP	NA	NA
+PJ048243	VLMFYY 	C43H58N6O9S	834.3986	NA	PeJP	NA	NA
+PJ048244	GSQKEMR 	C32H58N12O12S	834.4018	NA	PeJP	NA	NA
+PJ048245	STQKWW 	C40H54N10O10	834.4025	NA	PeJP	NA	NA
+MJ095817	2,3,6,19,23-Pentahydroxy-12-ursen-28-oic acid, 23-O-(3,4,5-Trihydroxybenzoyl), 28-O-?-D-glucopyranosyl ester 	C43H62O16	834.403785	NA	MeJP	NA	NA
+PJ048246	TLEMRW 	C37H58N10O10S	834.4058	NA	PeJP	NA	NA
+PJ048247	GGKKEMW 	C37H58N10O10S	834.4059	NA	PeJP	NA	NA
+PJ048248	APLYWW 	C45H54N8O8	834.4065	NA	PeJP	NA	NA
+PJ048249	STTLEER 	C33H58N10O15	834.4083	NA	PeJP	NA	NA
+PJ048250	GGSTKKEE 	C33H58N10O15	834.4084	NA	PeJP	NA	NA
+PJ048251	GVLEMMR 	C34H62N10O10S2	834.4092	NA	PeJP	NA	NA
+PJ048252	GSSSRRW 	C34H54N14O11	834.4097	NA	PeJP	NA	NA
+PJ048253	SLLMWW 	C42H58N8O8S	834.4099	NA	PeJP	NA	NA
+PJ048254	SSTLLEW 	C38H58N8O13	834.4124	NA	PeJP	NA	NA
+PJ048255	SSVCQRR 	C31H58N14O11S	834.413	NA	PeJP	NA	NA
+PJ048256	GSTQMRR 	C31H58N14O11S	834.4131	NA	PeJP	NA	NA
+PJ048257	AALLMMW 	C39H62N8O8S2	834.4132	NA	PeJP	NA	NA
+PJ048258	AQQFRW 	C39H54N12O9	834.4137	NA	PeJP	NA	NA
+PJ048259	SVLKEEM 	C35H62N8O13S	834.4157	NA	PeJP	NA	NA
+PJ048260	TLLYYY 	C43H58N6O11	834.4164	NA	PeJP	NA	NA
+PJ048261	PVVKMMM 	C36H66N8O8S3	834.4166	NA	PeJP	NA	NA
+PJ048262	SQKMRW 	C36H58N12O9S	834.4171	NA	PeJP	NA	NA
+PJ048263	PPLHWW 	C44H54N10O7	834.4177	NA	PeJP	NA	NA
+PJ048264	SSTQKER 	C32H58N12O14	834.4196	NA	PeJP	NA	NA
+PJ048265	VVCCQKR 	C33H62N12O9S2	834.4204	NA	PeJP	NA	NA
+PJ048266	LEMMRR 	C33H62N12O9S2	834.4205	NA	PeJP	NA	NA
+PJ048267	TEHHRR 	C33H54N16O10	834.4209	NA	PeJP	NA	NA
+PJ048268	GKKMWW 	C41H58N10O7S	834.4211	NA	PeJP	NA	NA
+PJ048269	GSTKKEW 	C37H58N10O12	834.4236	NA	PeJP	NA	NA
+PJ048270	GSTCRRR 	C30H58N16O10S	834.4243	NA	PeJP	NA	NA
+PJ048271	VLMMRW 	C38H62N10O7S2	834.4245	NA	PeJP	NA	NA
+PJ048272	GNFRRW 	C38H54N14O8	834.4249	NA	PeJP	NA	NA
+MJ095818	1-Dodecanol; O-[2,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] 	C40H66O18	834.424915	NA	MeJP	NA	NA
+MJ095819	1-Dodecanol; O-[3,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside] 	C40H66O18	834.424915	NA	MeJP	NA	NA
+MJ095820	Mezzettiaside 7; 3''-Deglycosyl, 2''-Ac 	C40H66O18	834.424915	NA	MeJP	NA	NA
+MJ095821	Mezzettiaside 7; 3''-Deglycosyl, 3''-Ac 	C40H66O18	834.424915	NA	MeJP	NA	NA
+PJ048273	GGGFRRW 	C38H54N14O8	834.425	NA	PeJP	NA	NA
+PJ048274	SSLLEMR 	C34H62N10O12S	834.427	NA	PeJP	NA	NA
+PJ048275	PLKEYW 	C42H58N8O10	834.4276	NA	PeJP	NA	NA
+PJ048276	SCKRRW 	C35H58N14O8S	834.4283	NA	PeJP	NA	NA
+PJ048277	SSSDKRR 	C31H58N14O13	834.4308	NA	PeJP	NA	NA
+PJ048278	ATTLLMW 	C39H62N8O10S	834.431	NA	PeJP	NA	NA
+PJ048279	VLFFFY 	C47H58N6O8	834.4316	NA	PeJP	NA	NA
+PJ048280	NKMMRR 	C32H62N14O8S2	834.4317	NA	PeJP	NA	NA
+PJ048281	SSSSLLLE 	C35H62N8O15	834.4335	NA	PeJP	NA	NA
+PJ048282	ALLKEMM 	C36H66N8O10S2	834.4344	NA	PeJP	NA	NA
+PJ048283	GSTTKRW 	C36H58N12O11	834.4348	NA	PeJP	NA	NA
+PJ048284	GGGGGVLRY 	C36H58N12O11	834.4349	NA	PeJP	NA	NA
+PJ048285	GSKKEMR 	C33H62N12O11S	834.4382	NA	PeJP	NA	NA
+PJ048286	STKKWW 	C41H58N10O9	834.4388	NA	PeJP	NA	NA
+PJ048287	PTLRYW 	C41H58N10O9	834.4389	NA	PeJP	NA	NA
+PJ048288	VMHHRR 	C34H58N16O7S	834.4396	NA	PeJP	NA	NA
+MJ095822	Cryptoporic acid G 	C44H66O15	834.440171	NA	MeJP	NA	NA
+PJ048289	SSSSRRR 	C30H58N16O12	834.442	NA	PeJP	NA	NA
+PJ048290	DKKKMW 	C38H62N10O9S	834.4422	NA	PeJP	NA	NA
+PJ048291	ALLFWW 	C46H58N8O7	834.4429	NA	PeJP	NA	NA
+PJ048292	SSKKKEE 	C34H62N10O14	834.4447	NA	PeJP	NA	NA
+PJ048293	ATLLMMR 	C35H66N10O9S2	834.4456	NA	PeJP	NA	NA
+PJ048294	VNQRRY 	C35H58N14O10	834.4461	NA	PeJP	NA	NA
+PJ048295	TTTTLLW 	C39H62N8O12	834.4487	NA	PeJP	NA	NA
+PJ048296	PVVTKEY 	C39H62N8O12	834.4488	NA	PeJP	NA	NA
+PJ048297	GSTKMRR 	C32H62N14O10S	834.4494	NA	PeJP	NA	NA
+PJ048298	AQKFRW 	C40H58N12O8	834.4501	NA	PeJP	NA	NA
+PJ048299	TTLLKEM 	C36H66N8O12S	834.4521	NA	PeJP	NA	NA
+PJ048300	SKKMRW 	C37H62N12O8S	834.4535	NA	PeJP	NA	NA
+PJ048301	TTTTQKR 	C33H62N12O13	834.4559	NA	PeJP	NA	NA
+PJ048302	SSTKKER 	C33H62N12O13	834.456	NA	PeJP	NA	NA
+PJ048303	AAKKMMR 	C34H66N12O8S2	834.4568	NA	PeJP	NA	NA
+PJ048304	GQRRRY 	C34H58N16O9	834.4573	NA	PeJP	NA	NA
+PJ048305	SSSLKKW 	C38H62N10O11	834.46	NA	PeJP	NA	NA
+PJ048306	TTTILMR 	C35H66N10O11S	834.4633	NA	PeJP	NA	NA
+PJ048307	TTTLLMR 	C35H66N10O11S	834.4634	NA	PeJP	NA	NA
+PJ048308	LLLQYW 	C43H62N8O9	834.464	NA	PeJP	NA	NA
+PJ048309	SSTTKRR 	C32H62N14O12	834.4672	NA	PeJP	NA	NA
+PJ048310	APLLKMY 	C40H66N8O9S	834.4674	NA	PeJP	NA	NA
+PJ048311	PNHRRR 	C33H58N18O8	834.4685	NA	PeJP	NA	NA
+PJ048312	GGPHRRR 	C33H58N18O8	834.4686	NA	PeJP	NA	NA
+PJ048313	SSTTTLLL 	C36H66N8O14	834.4699	NA	PeJP	NA	NA
+PJ048314	SLLLKMM 	C37H70N8O9S2	834.4707	NA	PeJP	NA	NA
+PJ048315	VLERRY 	C37H62N12O10	834.4712	NA	PeJP	NA	NA
+PJ048316	ATTKKMR 	C34H66N12O10S	834.4746	NA	PeJP	NA	NA
+PJ048317	VVLRYW 	C42H62N10O8	834.4752	NA	PeJP	NA	NA
+PJ048318	GGLKKFW 	C42H62N10O8	834.4753	NA	PeJP	NA	NA
+PJ048319	GVLLMFR 	C39H66N10O8S	834.4786	NA	PeJP	NA	NA
+PJ048320	TTTKKKE 	C35H66N10O13	834.4811	NA	PeJP	NA	NA
+PJ048321	GLKKKMM 	C36H70N10O8S2	834.482	NA	PeJP	NA	NA
+PJ048322	VNKRRY 	C36H62N14O9	834.4825	NA	PeJP	NA	NA
+PJ048323	GLLLKEY 	C40H66N8O11	834.4851	NA	PeJP	NA	NA
+PJ048324	GPPPLLLE 	C40H66N8O11	834.4852	NA	PeJP	NA	NA
+PJ048325	AKKFRW 	C41H62N12O7	834.4865	NA	PeJP	NA	NA
+PJ048326	LLMFRR 	C38H66N12O7S	834.4899	NA	PeJP	NA	NA
+PJ048327	TTTTKKR 	C34H66N12O12	834.4923	NA	PeJP	NA	NA
+PJ048328	GKRRRY 	C35H62N16O8	834.4937	NA	PeJP	NA	NA
+PJ048329	GTLLLRY 	C39H66N10O10	834.4964	NA	PeJP	NA	NA
+MJ095823	Dammarane-3,6,12,20,24,25-hexol, 6,20-Di-O-?-D-glucopyranoside 	C42H74O16	834.497686	NA	MeJP	NA	NA
+PJ048330	STLKKKM 	C36H70N10O10S	834.4997	NA	PeJP	NA	NA
+PJ048331	LLLKYW 	C44H66N8O8	834.5004	NA	PeJP	NA	NA
+PJ048332	ALLLKMF 	C41H70N8O8S	834.5038	NA	PeJP	NA	NA
+PJ048333	LQKKRY 	C38H66N12O9	834.5076	NA	PeJP	NA	NA
+PJ048334	VKKKFW 	C43H66N10O7	834.5116	NA	PeJP	NA	NA
+MJ095824	44-Homooligomycin A; 28-Oxo, 26-hydroxy 	C46H74O13	834.512942	NA	MeJP	NA	NA
+PJ048335	TKKFRR 	C37H66N14O8	834.5188	NA	PeJP	NA	NA
+PJ048336	SVLLLKY 	C41H70N8O10	834.5215	NA	PeJP	NA	NA
+8287	antioxidative peptide	VLPVPQKKVLPVPQK	834.523	MH2+	Inhouse_peptide	NA	peptide
+HMDB09784	PI(16:0/18:2(9Z,12Z))	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09800	PI(16:1(9Z)/18:1(11Z))	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09801	PI(16:1(9Z)/18:1(9Z))	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09803	PI(16:2(9Z,12Z)/18:0)	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09807	PI(18:0/16:2(9Z,12Z))	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09823	PI(18:1(11Z)/16:1(9Z))	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09835	PI(18:1(9Z)/16:1(9Z))	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+HMDB09846	PI(18:2(9Z,12Z)/16:0)	C43H79O13P	834.525818	NA	HMDB2010	NA	NA
+PJ048337	GVLKKKY 	C40H70N10O9	834.5328	NA	PeJP	NA	NA
+PJ048338	LKKKRY 	C39H70N12O8	834.544	NA	PeJP	NA	NA
+MJ095825	Dirithromycin 	C42H78N2O14	834.545305	NA	MeJP	NA	NA
+PJ048339	GPPLLLLL 	C42H74N8O9	834.5579	NA	PeJP	NA	NA
+PJ048340	VLLLLKH 	C41H74N10O8	834.5692	NA	PeJP	NA	NA
+EUR1147	SM(d18:0/22:0) [M+FA-H]-	C45H93N2O6P	834.682006	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1147	SM(d18:0/22:0) [M+FA-H]-	C45H93N2O6P	834.682006	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1147	SM(d18:0/22:0) [M+FA-H]-	C45H93N2O6P	834.682006	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1147	SM(d18:0/22:0) [M+FA-H]-	C45H93N2O6P	834.682006	masses lipides attendues	Inhousejuil11	NA	NA
+MJ095826	20(29)-Lupen-3-ol, 3-Acetoxytetracosanoyl 	C56H98O4	834.746511	NA	MeJP	NA	NA
+MJ095827	Polyprenol; Betulaprenol 12 	C60H98O	834.761767	NA	MeJP	NA	NA
+HMDB05357	TG(16:0/16:0/18:0)[iso3]	C53H102O6	834.767639	NA	HMDB2010	NA	NA
+HMDB10427	TG(18:0/14:0/18:0)[iso3]	C53H102O6	834.767639	NA	HMDB2010	NA	NA
+HMDB05357	TG(16:0/16:0/18:0)	C53H102O6	834.76764	http://www.hmdb.ca/metabolites/HMDB05357	HMDB	NA	NA
+HMDB05357	TG(16:0/16:0/18:0)	C53H102O6	834.76764	HMDB05357	PFEM_hmdb_metabocards_official	NA	NA
+MJ095828	Iobitridol 	C20H28I3N3O9	834.895959	NA	MeJP	NA	NA
+MJ095829	Iopentol 	C20H28I3N3O9	834.895959	NA	MeJP	NA	NA
+6991	potential coeliac toxic peptide (extended motif)	QQFLGQQQPFPPQQ	834.9015	MH2+	Inhouse_peptide	NA	peptide
+6994	potential coeliac toxic peptide (extended motif)	QPQPFPSQQPYLQL	834.9145	MH2+	Inhouse_peptide	NA	peptide
+6997	potential coeliac toxic peptide (extended motif)	QPFPSQQPYLQLQP	834.9145	MH2+	Inhouse_peptide	NA	peptide
+C00877	Crotonoyl-CoA	C25H40N7O17P3S	835.1414	NA	KEGG	NA	NA
+C02331	Vinylacetyl-CoA	C25H40N7O17P3S	835.1414	NA	KEGG	NA	NA
+C02332	Vitamin A ester	C21H29O2R	835.1414	NA	KEGG	NA	NA
+C03460	2-Methylprop-2-enoyl-CoA	C25H40N7O17P3S	835.1414	NA	KEGG	NA	NA
+C16268	Cyclopropanecarboxyl-CoA	C25H40N7O17P3S	835.1414	NA	KEGG	NA	NA
+HMDB01011	Methacrylyl-CoA	C25H40N7O17P3S	835.141418	NA	HMDB2010	NA	NA
+HMDB02009	Crotonoyl-CoA	C25H40N7O17P3S	835.141418	NA	HMDB2010	NA	NA
+HMDB01011	Methacrylyl-CoA	C25H40N7O17P3S	835.14142	http://www.hmdb.ca/metabolites/HMDB01011	HMDB	NA	NA
+HMDB02009	Crotonoyl-CoA	C25H40N7O17P3S	835.14142	http://www.hmdb.ca/metabolites/HMDB02009	HMDB	NA	NA
+HMDB01011	Methacrylyl-CoA	C25H40N7O17P3S	835.14142	HMDB01011	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02009	Crotonoyl-CoA	C25H40N7O17P3S	835.14142	HMDB02009	PFEM_hmdb_metabocards_official	NA	NA
+MJ095830	2-Methylprop-2-enoyl-CoA 	C25H40N7O17P3S	835.141423	NA	MeJP	NA	NA
+MJ095831	Crotonoyl-CoA 	C25H40N7O17P3S	835.141423	NA	MeJP	NA	NA
+MJ095832	Vinylacetyl-CoA 	C25H40N7O17P3S	835.141423	NA	MeJP	NA	NA
+MetaCyc04160	methylacrylyl-CoA [methacrylyl-CoA;2-methylprop-2-enoyl-CoA;methacrylyl-coenzyme A;]	C25H40N7O17P3S1	835.141423	6008-91-9	metacyc	NA	NA
+MetaCyc04161	crotonyl-CoA [crotonyl-S-CoA;crotonyl-coenzyme A;crotonoyl-CoA;2-butenoyl-CoA;trans-but-2-enoyl-CoA;but-2-enoyl-CoA;trans-butyr-2-enoyl-CoA;]	C25H40N7O17P3S1	835.141423	102680-35-3	metacyc	NA	NA
+MetaCyc04162	vinylacetyl-CoA [3-Butenoyl-CoA;]	C25H40N7O17P3S1	835.141423	NA	metacyc	NA	NA
+PJ048341	GCCCCCNM 	C26H45N9O10S6	835.1614	NA	PeJP	NA	NA
+PJ048342	SSCCCCCQ 	C26H45N9O12S5	835.1791	NA	PeJP	NA	NA
+PJ048343	GGSTCCCCC 	C26H45N9O12S5	835.1792	NA	PeJP	NA	NA
+PJ048344	CCCDDDY 	C30H41N7O15S3	835.1823	NA	PeJP	NA	NA
+PJ048345	CCCDMMM 	C28H49N7O10S6	835.1865	NA	PeJP	NA	NA
+PJ048346	GSSSSCCCC 	C26H45N9O14S4	835.1969	NA	PeJP	NA	NA
+PJ048347	ACCCCCCK 	C27H49N9O9S6	835.1978	NA	PeJP	NA	NA
+PJ048348	CCCDDMF 	C31H45N7O12S4	835.2009	NA	PeJP	NA	NA
+PJ048349	CCCCMHH 	C29H45N11O8S5	835.2057	NA	PeJP	NA	NA
+PJ048350	CCDDDEH 	C29H41N9O16S2	835.2113	NA	PeJP	NA	NA
+PJ048351	CCCCNQY 	C30H45N9O11S4	835.2122	NA	PeJP	NA	NA
+PJ048352	SSCCCCCK 	C27H49N9O11S5	835.2155	NA	PeJP	NA	NA
+PJ048353	SCCDDMY 	C31H45N7O14S3	835.2187	NA	PeJP	NA	NA
+PJ048354	SCCMMMM 	C29H53N7O9S6	835.2229	NA	PeJP	NA	NA
+PJ048355	GPCCCCNH 	C29H45N11O10S4	835.2234	NA	PeJP	NA	NA
+PJ048356	GSSCCCNY 	C30H45N9O13S3	835.2299	NA	PeJP	NA	NA
+PJ048357	GCCEMMY 	C32H49N7O11S4	835.2373	NA	PeJP	NA	NA
+PJ048358	CCNNDMH 	C29H45N11O12S3	835.2412	NA	PeJP	NA	NA
+PJ048359	NNDDDDE 	C29H41N9O20	835.2468	NA	PeJP	NA	NA
+PJ048360	SCDDEMH 	C30H45N9O15S2	835.2477	NA	PeJP	NA	NA
+PJ048361	CCCCNKY 	C31H49N9O10S4	835.2486	NA	PeJP	NA	NA
+PJ048362	GCCDEFY 	C35H45N7O13S2	835.2517	NA	PeJP	NA	NA
+PJ048363	CCMMYW 	C36H49N7O8S4	835.2526	NA	PeJP	NA	NA
+PJ048364	PDDDDEM 	C31H45N7O18S	835.2542	NA	PeJP	NA	NA
+PJ048365	SSCDMMY 	C32H49N7O13S3	835.2551	NA	PeJP	NA	NA
+PJ048366	ACCMMMF 	C33H53N7O8S5	835.2559	NA	PeJP	NA	NA
+PJ048367	VCCCMMF 	C33H53N7O8S5	835.256	NA	PeJP	NA	NA
+PJ048368	GCCCQHW 	C33H45N11O9S3	835.2564	NA	PeJP	NA	NA
+PJ048369	GSSCCNEH 	C29H45N11O14S2	835.2589	NA	PeJP	NA	NA
+PJ048370	GNDDDDW 	C33H41N9O17	835.2621	NA	PeJP	NA	NA
+PJ048371	GCCNNYY 	C34H45N9O12S2	835.2629	NA	PeJP	NA	NA
+PJ048372	GGGGGCCYY 	C34H45N9O12S2	835.263	NA	PeJP	NA	NA
+PJ048373	GSPCNDDE 	C30H45N9O17S	835.2655	NA	PeJP	NA	NA
+PJ048374	GDDMMMH 	C31H49N9O12S3	835.2663	NA	PeJP	NA	NA
+PJ048375	CCDFYW 	C39H45N7O10S2	835.267	NA	PeJP	NA	NA
+PJ048376	PCCCHHH 	C32H45N13O8S3	835.2677	NA	PeJP	NA	NA
+PJ048377	GSCDEYY 	C35H45N7O15S	835.2695	NA	PeJP	NA	NA
+PJ048378	GPCCMYY 	C36H49N7O10S3	835.2703	NA	PeJP	NA	NA
+PJ048379	GDEEEEE 	C31H45N7O20	835.272	NA	PeJP	NA	NA
+PJ048380	GTCMMMY 	C33H53N7O10S4	835.2737	NA	PeJP	NA	NA
+PJ048381	SSCCNHW 	C33H45N11O11S2	835.2742	NA	PeJP	NA	NA
+PJ048382	SSSSCNDH 	C29H45N11O16S	835.2767	NA	PeJP	NA	NA
+PJ048383	SCNNMMH 	C30H49N11O11S3	835.2775	NA	PeJP	NA	NA
+PJ048384	GGSCNMMH 	C30H49N11O11S3	835.2776	NA	PeJP	NA	NA
+PJ048385	SPCNDDW 	C34H45N9O14S	835.2807	NA	PeJP	NA	NA
+PJ048386	CEMMHW 	C35H49N9O9S3	835.2816	NA	PeJP	NA	NA
+PJ048387	SNNDEEE 	C30H45N9O19	835.2832	NA	PeJP	NA	NA
+PJ048388	SSDEMMH 	C31H49N9O14S2	835.2841	NA	PeJP	NA	NA
+PJ048389	SCDYYW 	C39H45N7O12S	835.2847	NA	PeJP	NA	NA
+PJ048390	SPCMMMH 	C32H53N9O9S4	835.2849	NA	PeJP	NA	NA
+PJ048391	GCDMHHH 	C32H45N13O10S2	835.2854	NA	PeJP	NA	NA
+PJ048392	CCMFFW 	C40H49N7O7S3	835.2856	NA	PeJP	NA	NA
+PJ048393	DEEEEW 	C35H45N7O17	835.2872	NA	PeJP	NA	NA
+PJ048394	GSCNNNNN 	C28H45N13O15S	835.2879	NA	PeJP	NA	NA
+PJ048395	GGGGGGGGGGGSC 	C28H45N13O15S	835.288	NA	PeJP	NA	NA
+PJ048396	NDMMYY 	C36H49N7O12S2	835.2881	NA	PeJP	NA	NA
+PJ048397	SCCCQHR 	C29H49N13O10S3	835.2888	NA	PeJP	NA	NA
+PJ048398	SPDEEEM 	C32H49N7O17S	835.2906	NA	PeJP	NA	NA
+PJ048399	SSSMMMY 	C33H53N7O12S3	835.2914	NA	PeJP	NA	NA
+PJ048400	PPDDMMM 	C33H53N7O12S3	835.2915	NA	PeJP	NA	NA
+PJ048401	GCNNNEW 	C33H45N11O13S	835.2919	NA	PeJP	NA	NA
+PJ048402	GGGGGGGCEW 	C33H45N11O13S	835.292	NA	PeJP	NA	NA
+PJ048403	GCCCKHW 	C34H49N11O8S3	835.2928	NA	PeJP	NA	NA
+PJ048404	SNDDDDR 	C29H45N11O18	835.2944	NA	PeJP	NA	NA
+PJ048405	GGSDDDDR 	C29H45N11O18	835.2945	NA	PeJP	NA	NA
+PJ048406	PCCNDER 	C30H49N11O13S2	835.2953	NA	PeJP	NA	NA
+PJ048407	CDEHFW 	C38H45N9O11S	835.296	NA	PeJP	NA	NA
+PJ048408	GSNDEEW 	C34H45N9O16	835.2985	NA	PeJP	NA	NA
+PJ048409	GPCNEMW 	C35H49N9O11S2	835.2993	NA	PeJP	NA	NA
+PJ048410	GNQEEEM 	C31H49N9O16S	835.3018	NA	PeJP	NA	NA
+PJ048411	NDDFYY 	C39H45N7O14	835.3025	NA	PeJP	NA	NA
+PJ048412	GTEMMMH 	C32H53N9O11S3	835.3027	NA	PeJP	NA	NA
+PJ048413	SSCEHHH 	C32H45N13O12S	835.3032	NA	PeJP	NA	NA
+PJ048414	ACMYYW 	C40H49N7O9S2	835.3033	NA	PeJP	NA	NA
+PJ048415	GPCCFFY 	C40H49N7O9S2	835.3034	NA	PeJP	NA	NA
+PJ048416	GSSEMYY 	C36H49N7O14S	835.3058	NA	PeJP	NA	NA
+PJ048417	PPDDDMF 	C36H49N7O14S	835.3059	NA	PeJP	NA	NA
+PJ048418	GSSSCCHR 	C29H49N13O12S2	835.3065	NA	PeJP	NA	NA
+PJ048419	NMMMFY 	C37H53N7O9S3	835.3067	NA	PeJP	NA	NA
+PJ048420	CNNNWW 	C37H45N11O10S	835.3072	NA	PeJP	NA	NA
+PJ048421	ATEEEEE 	C32H49N7O19	835.3084	NA	PeJP	NA	NA
+PJ048422	APEEEMM 	C33H53N7O14S2	835.3092	NA	PeJP	NA	NA
+PJ048423	SSNNNDW 	C33H45N11O15	835.3097	NA	PeJP	NA	NA
+PJ048424	GPCCDRW 	C34H49N11O10S2	835.3106	NA	PeJP	NA	NA
+PJ048425	GNDDEMR 	C30H49N11O15S	835.3131	NA	PeJP	NA	NA
+PJ048426	SNDEWW 	C38H45N9O13	835.3137	NA	PeJP	NA	NA
+PJ048427	GPPTCCCR 	C31H53N11O10S3	835.3139	NA	PeJP	NA	NA
+PJ048428	PCNMWW 	C39H49N9O8S2	835.3146	NA	PeJP	NA	NA
+PJ048429	NQEEMW 	C35H49N9O13S	835.3171	NA	PeJP	NA	NA
+PJ048430	TMMMHW 	C36H53N9O8S3	835.318	NA	PeJP	NA	NA
+PJ048431	SSQQEEE 	C31H49N9O18	835.3196	NA	PeJP	NA	NA
+PJ048432	STTEMMH 	C32H53N9O13S2	835.3204	NA	PeJP	NA	NA
+PJ048433	TTTDMMH 	C32H53N9O13S2	835.3205	NA	PeJP	NA	NA
+PJ048434	GNNEEHH 	C32H45N13O14	835.3209	NA	PeJP	NA	NA
+PJ048435	SSMYYW 	C40H49N7O11S	835.3211	NA	PeJP	NA	NA
+PJ048436	GVMMMMH 	C33H57N9O8S4	835.3213	NA	PeJP	NA	NA
+PJ048437	GCCNHFR 	C33H49N13O9S2	835.3218	NA	PeJP	NA	NA
+PJ048438	SSSTEYY 	C36H49N7O16	835.3236	NA	PeJP	NA	NA
+PJ048439	GCDDDRR 	C29H49N13O14S	835.3243	NA	PeJP	NA	NA
+PJ048440	TQMMYY 	C37H53N7O11S2	835.3245	NA	PeJP	NA	NA
+PJ048441	SCCCKHR 	C30H53N13O9S3	835.3252	NA	PeJP	NA	NA
+PJ048442	GLEEEEM 	C33H53N7O16S	835.327	NA	PeJP	NA	NA
+PJ048443	PPTEMMM 	C34H57N7O11S3	835.3278	NA	PeJP	NA	NA
+PJ048444	NDDMRW 	C34H49N11O12S	835.3283	NA	PeJP	NA	NA
+PJ048445	GGGGGGGAPCF 	C34H49N11O12S	835.3284	NA	PeJP	NA	NA
+PJ048446	GSDWWW 	C42H45N9O10	835.329	NA	PeJP	NA	NA
+PJ048447	SSNDEER 	C30H49N11O17	835.3308	NA	PeJP	NA	NA
+PJ048448	SPCNEMR 	C31H53N11O12S2	835.3317	NA	PeJP	NA	NA
+PJ048449	SNNNNHH 	C31H45N15O13	835.3322	NA	PeJP	NA	NA
+PJ048450	GQEMWW 	C39H49N9O10S	835.3323	NA	PeJP	NA	NA
+PJ048451	GGAEMWW 	C39H49N9O10S	835.3324	NA	PeJP	NA	NA
+PJ048452	MMMMHR 	C32H57N11O7S4	835.3326	NA	PeJP	NA	NA
+PJ048453	GSTQEEW 	C35H49N9O15	835.3348	NA	PeJP	NA	NA
+PJ048454	GGGTTEEW 	C35H49N9O15	835.3349	NA	PeJP	NA	NA
+PJ048455	GSPQMMW 	C36H53N9O10S2	835.3357	NA	PeJP	NA	NA
+PJ048456	NNEHHW 	C36H45N13O11	835.3362	NA	PeJP	NA	NA
+PJ048457	ACFFYW 	C44H49N7O8S	835.3364	NA	PeJP	NA	NA
+PJ048458	GNKEEEM 	C32H53N9O15S	835.3382	NA	PeJP	NA	NA
+PJ048459	PEEEFW 	C40H49N7O13	835.3389	NA	PeJP	NA	NA
+PJ048460	SSLMMMH 	C33H57N9O10S3	835.3391	NA	PeJP	NA	NA
+PJ048461	SSTMHHH 	C33H49N13O11S	835.3395	NA	PeJP	NA	NA
+PJ048462	GSCNNRW 	C33H49N13O11S	835.3396	NA	PeJP	NA	NA
+PJ048463	NMMFFF 	C41H53N7O8S2	835.3397	NA	PeJP	NA	NA
+PJ048464	GSSSNNDR 	C29H49N13O16	835.3421	NA	PeJP	NA	NA
+PJ048465	LEEEMW 	C37H53N7O13S	835.3422	NA	PeJP	NA	NA
+PJ048466	SPCCDRR 	C30H53N13O11S2	835.3429	NA	PeJP	NA	NA
+PJ048467	GGGGGGGMMR 	C30H53N13O11S2	835.343	NA	PeJP	NA	NA
+PJ048468	GCERWW 	C38H49N11O9S	835.3436	NA	PeJP	NA	NA
+PJ048469	STLEEEE 	C33H53N7O18	835.3447	NA	PeJP	NA	NA
+PJ048470	SPLEEMM 	C34H57N7O13S2	835.3456	NA	PeJP	NA	NA
+PJ048471	GSSDERW 	C34H49N11O14	835.3461	NA	PeJP	NA	NA
+PJ048472	PPVMMMM 	C35H61N7O8S4	835.3465	NA	PeJP	NA	NA
+PJ048473	APTCCRW 	C35H53N11O9S2	835.3469	NA	PeJP	NA	NA
+PJ048474	GSPCMRW 	C35H53N11O9S2	835.347	NA	PeJP	NA	NA
+PJ048475	GPDHHHH 	C35H45N15O10	835.3474	NA	PeJP	NA	NA
+PJ048476	QMWWW 	C43H49N9O7S	835.3476	NA	PeJP	NA	NA
+PJ048477	GSQEEMR 	C31H53N11O14S	835.3494	NA	PeJP	NA	NA
+PJ048478	GGGTEEMR 	C31H53N11O14S	835.3495	NA	PeJP	NA	NA
+MJ095833	Pacidamycin 2 	C39H49N9O12	835.350068	NA	MeJP	NA	NA
+PJ048479	STQEWW 	C39H49N9O12	835.3501	NA	PeJP	NA	NA
+PJ048480	GPNMMMR 	C32H57N11O9S3	835.3503	NA	PeJP	NA	NA
+PJ048481	CLMHFW 	C40H53N9O7S2	835.351	NA	PeJP	NA	NA
+PJ048482	GNHHWW 	C40H45N13O8	835.3514	NA	PeJP	NA	NA
+PJ048483	GGGHHWW 	C40H45N13O8	835.3515	NA	PeJP	NA	NA
+MJ095834	Penarolide A1; Tri-O-sulfate 	C35H65NO15S3	835.351632	NA	MeJP	NA	NA
+MJ095835	Penarolide A2; Tri-O-sulfate 	C35H65NO15S3	835.351632	NA	MeJP	NA	NA
+PJ048484	NKEEMW 	C36H53N9O12S	835.3535	NA	PeJP	NA	NA
+PJ048485	AAYYYW 	C44H49N7O10	835.3541	NA	PeJP	NA	NA
+PJ048486	GCCNQRR 	C29H53N15O10S2	835.3542	NA	PeJP	NA	NA
+PJ048487	QMHHHF 	C37H49N13O8S	835.3548	NA	PeJP	NA	NA
+PJ048488	SSQKEEE 	C32H53N9O17	835.356	NA	PeJP	NA	NA
+PJ048489	SPNKEMM 	C33H57N9O12S2	835.3568	NA	PeJP	NA	NA
+PJ048490	GGSPKEMM 	C33H57N9O12S2	835.3569	NA	PeJP	NA	NA
+MJ095836	Coumamidine ?1 	C33H49N13O13	835.357278	NA	MeJP	NA	NA
+MJ095837	Coumamidine ?2 	C33H49N13O13	835.357278	NA	MeJP	NA	NA
+PJ048491	GNNNDFR 	C33H49N13O13	835.3573	NA	PeJP	NA	NA
+PJ048492	PCKYYY 	C41H53N7O10S	835.3575	NA	PeJP	NA	NA
+PJ048493	CRWWW 	C42H49N11O6S	835.3588	NA	PeJP	NA	NA
+PJ048494	STTTTYY 	C37H53N7O15	835.36	NA	PeJP	NA	NA
+PJ048495	GSDDMRR 	C30H53N13O13S	835.3607	NA	PeJP	NA	NA
+PJ048496	TKMMYY 	C38H57N7O10S2	835.3609	NA	PeJP	NA	NA
+PJ048497	SSDRWW 	C38H49N11O11	835.3613	NA	PeJP	NA	NA
+PJ048498	GGGGGAQFW 	C38H49N11O11	835.3614	NA	PeJP	NA	NA
+PJ048499	APCCMRR 	C31H57N13O8S3	835.3616	NA	PeJP	NA	NA
+PJ048500	SVLEEEM 	C34H57N7O15S	835.3634	NA	PeJP	NA	NA
+PJ048501	PVVEMMM 	C35H61N7O10S3	835.3642	NA	PeJP	NA	NA
+PJ048502	SQEMRW 	C35H53N11O11S	835.3647	NA	PeJP	NA	NA
+PJ048503	ASTWWW 	C43H49N9O9	835.3653	NA	PeJP	NA	NA
+PJ048504	GTTWWW 	C43H49N9O9	835.3654	NA	PeJP	NA	NA
+PJ048505	CHHHFR 	C36H49N15O7S	835.3661	NA	PeJP	NA	NA
+PJ048506	SSTQEER 	C31H53N11O16	835.3672	NA	PeJP	NA	NA
+PJ048507	AAQEMMR 	C32H57N11O11S2	835.3681	NA	PeJP	NA	NA
+PJ048508	GSNEHHR 	C32H49N15O12	835.3685	NA	PeJP	NA	NA
+PJ048509	GGGSEHHR 	C32H49N15O12	835.3686	NA	PeJP	NA	NA
+PJ048510	GKEMWW 	C40H53N9O9S	835.3687	NA	PeJP	NA	NA
+PJ048511	GSTKEEW 	C36H53N9O14	835.3712	NA	PeJP	NA	NA
+PJ048512	GGGGALEEF 	C36H53N9O14	835.3713	NA	PeJP	NA	NA
+PJ048513	SSCNNRR 	C29H53N15O12S	835.3719	NA	PeJP	NA	NA
+PJ048514	GSPKMMW 	C37H57N9O9S2	835.3721	NA	PeJP	NA	NA
+PJ048515	NDKHHW 	C37H49N13O10	835.3726	NA	PeJP	NA	NA
+PJ048516	GDKKEEM 	C33H57N9O14S	835.3746	NA	PeJP	NA	NA
+PJ048517	AKEYYY 	C41H53N7O12	835.3752	NA	PeJP	NA	NA
+PJ048518	PLEEYW 	C41H53N7O12	835.3753	NA	PeJP	NA	NA
+PJ048519	APQKMMM 	C34H61N9O9S3	835.3755	NA	PeJP	NA	NA
+PJ048520	SCERRW 	C34H53N13O10S	835.3759	NA	PeJP	NA	NA
+PJ048521	GGGLQMHH 	C34H53N13O10S	835.376	NA	PeJP	NA	NA
+PJ048522	PPNHWW 	C42H49N11O8	835.3766	NA	PeJP	NA	NA
+PJ048523	SSSDERR 	C30H53N13O15	835.3784	NA	PeJP	NA	NA
+PJ048524	GGGGGSSTTR 	C30H53N13O15	835.3785	NA	PeJP	NA	NA
+PJ048525	SPPLEMY 	C38H57N7O12S	835.3786	NA	PeJP	NA	NA
+PJ048526	NEMMRR 	C31H57N13O10S2	835.3793	NA	PeJP	NA	NA
+PJ048527	GTMRWW 	C39H53N11O8S	835.38	NA	PeJP	NA	NA
+PJ048528	ALLEEMM 	C35H61N7O12S2	835.382	NA	PeJP	NA	NA
+PJ048529	SSSNQKW 	C35H53N11O13	835.3824	NA	PeJP	NA	NA
+PJ048530	GSTTERW 	C35H53N11O13	835.3825	NA	PeJP	NA	NA
+PJ048531	VNMMRW 	C36H57N11O8S2	835.3833	NA	PeJP	NA	NA
+PJ048532	SNHHRW 	C36H49N15O9	835.3838	NA	PeJP	NA	NA
+PJ048533	KMWWW 	C44H53N9O6S	835.384	NA	PeJP	NA	NA
+PJ048534	GSKEEMR 	C32H57N11O13S	835.3858	NA	PeJP	NA	NA
+PJ048535	GGGGSDKKM 	C32H57N11O13S	835.3859	NA	PeJP	NA	NA
+PJ048536	STKEWW 	C40H53N9O11	835.3865	NA	PeJP	NA	NA
+PJ048537	APCKMMR 	C33H61N11O8S3	835.3867	NA	PeJP	NA	NA
+PJ048538	QQMHHR 	C33H53N15O9S	835.3872	NA	PeJP	NA	NA
+PJ048539	SSPTKMW 	C37H57N9O11S	835.3898	NA	PeJP	NA	NA
+PJ048540	DKKEMW 	C37H57N9O11S	835.3899	NA	PeJP	NA	NA
+PJ048541	VNFFFY 	C45H53N7O9	835.3905	NA	PeJP	NA	NA
+PJ048542	CDMRRR 	C30H57N15O9S2	835.3906	NA	PeJP	NA	NA
+PJ048543	KMHHHF 	C38H53N13O7S	835.3912	NA	PeJP	NA	NA
+PJ048544	SSSPTTKE 	C33H57N9O16	835.3923	NA	PeJP	NA	NA
+PJ048545	SSKKEEE 	C33H57N9O16	835.3924	NA	PeJP	NA	NA
+PJ048546	GLQKEMM 	C34H61N9O11S2	835.3932	NA	PeJP	NA	NA
+PJ048547	NQQQRY 	C34H53N13O12	835.3937	NA	PeJP	NA	NA
+PJ048548	CLKFYY 	C42H57N7O9S	835.3939	NA	PeJP	NA	NA
+PJ048549	GMMRRW 	C35H57N13O7S2	835.3946	NA	PeJP	NA	NA
+PJ048550	SPVLEEY 	C38H57N7O14	835.3964	NA	PeJP	NA	NA
+PJ048551	GSTEMRR 	C31H57N13O12S	835.3971	NA	PeJP	NA	NA
+PJ048552	PPTLMMF 	C39H61N7O9S2	835.3972	NA	PeJP	NA	NA
+PJ048553	PPVVMMY 	C39H61N7O9S2	835.3973	NA	PeJP	NA	NA
+PJ048554	STTRWW 	C39H53N11O10	835.3977	NA	PeJP	NA	NA
+PJ048555	CQHHRR 	C32H53N17O8S	835.3984	NA	PeJP	NA	NA
+PJ048556	TTLLEEM 	C35H61N7O14S	835.3998	NA	PeJP	NA	NA
+PJ048557	PTLLMMM 	C36H65N7O9S3	835.4006	NA	PeJP	NA	NA
+PJ048558	SKEMRW 	C36H57N11O10S	835.4011	NA	PeJP	NA	NA
+PJ048559	GPKYWW 	C44H53N9O8	835.4017	NA	PeJP	NA	NA
+PJ048560	GGALFWW 	C44H53N9O8	835.4018	NA	PeJP	NA	NA
+PJ048561	SSTKEER 	C32H57N11O15	835.4036	NA	PeJP	NA	NA
+PJ048562	AAKEMMR 	C33H61N11O10S2	835.4045	NA	PeJP	NA	NA
+PJ048563	NNNRRY 	C33H53N15O11	835.4049	NA	PeJP	NA	NA
+PJ048564	GGGGGGRRY 	C33H53N15O11	835.405	NA	PeJP	NA	NA
+PJ048565	SVKMWW 	C41H57N9O8S	835.4051	NA	PeJP	NA	NA
+PJ048566	SSSLKEW 	C37H57N9O13	835.4076	NA	PeJP	NA	NA
+PJ048567	LQKMMW 	C38H61N9O8S2	835.4085	NA	PeJP	NA	NA
+PJ048568	GDFRRW 	C38H53N13O9	835.409	NA	PeJP	NA	NA
+PJ048569	ATKKEEM 	C34H61N9O13S	835.411	NA	PeJP	NA	NA
+PJ048570	LLEEFW 	C42H57N7O11	835.4116	NA	PeJP	NA	NA
+PJ048571	APKKMMM 	C35H65N9O8S3	835.4119	NA	PeJP	NA	NA
+PJ048572	STMRRW 	C35H57N13O9S	835.4123	NA	PeJP	NA	NA
+PJ048573	AAFRWW 	C43H53N11O7	835.413	NA	PeJP	NA	NA
+PJ048574	SSTTERR 	C31H57N13O14	835.4148	NA	PeJP	NA	NA
+PJ048575	APLLEMY 	C39H61N7O11S	835.415	NA	PeJP	NA	NA
+PJ048576	DKMMRR 	C32H61N13O9S2	835.4157	NA	PeJP	NA	NA
+PJ048577	GSSHHRR 	C32H53N17O10	835.4162	NA	PeJP	NA	NA
+PJ048578	PCKFRW 	C40H57N11O7S	835.4164	NA	PeJP	NA	NA
+PJ048579	SLLLEMM 	C36H65N7O11S2	835.4184	NA	PeJP	NA	NA
+PJ048580	SSSTLRW 	C36H57N11O12	835.4188	NA	PeJP	NA	NA
+PJ048581	GGSSSKKW 	C36H57N11O12	835.4189	NA	PeJP	NA	NA
+PJ048582	CLKMRW 	C37H61N11O7S2	835.4197	NA	PeJP	NA	NA
+PJ048583	GVLHHHH 	C37H53N15O8	835.4202	NA	PeJP	NA	NA
+PJ048584	ATTKEMR 	C33H61N11O12S	835.4222	NA	PeJP	NA	NA
+PJ048585	PDKKYW 	C41H57N9O10	835.4229	NA	PeJP	NA	NA
+PJ048586	APPCHRR 	C34H57N15O8S	835.4236	NA	PeJP	NA	NA
+PJ048587	GTTLKMW 	C38H61N9O10S	835.4262	NA	PeJP	NA	NA
+PJ048588	GGAPLKMY 	C38H61N9O10S	835.4263	NA	PeJP	NA	NA
+MJ095838	Cycloamanide B 	C46H57N7O8	835.426861	NA	MeJP	NA	NA
+PJ048589	SMMRRR 	C31H61N15O8S2	835.4269	NA	PeJP	NA	NA
+PJ048590	TTTKKEE 	C34H61N9O15	835.4287	NA	PeJP	NA	NA
+PJ048591	GLKKEMM 	C35H65N9O10S2	835.4296	NA	PeJP	NA	NA
+PJ048592	VNERRY 	C35H57N13O11	835.4301	NA	PeJP	NA	NA
+PJ048593	PPVVMFF 	C43H61N7O8S	835.4303	NA	PeJP	NA	NA
+PJ048594	LHHHHR 	C36H53N17O7	835.4314	NA	PeJP	NA	NA
+PJ048595	GLLLEEY 	C39H61N7O13	835.4328	NA	PeJP	NA	NA
+PJ048596	ATTTMRR 	C32H61N13O11S	835.4334	NA	PeJP	NA	NA
+PJ048597	SSSLMRR 	C32H61N13O11S	835.4335	NA	PeJP	NA	NA
+PJ048598	PVVLMMF 	C40H65N7O8S2	835.4336	NA	PeJP	NA	NA
+PJ048599	SPKRYW 	C40H57N11O9	835.4341	NA	PeJP	NA	NA
+PJ048600	CKHHRR 	C33H57N17O7S	835.4348	NA	PeJP	NA	NA
+PJ048601	VVLLMMM 	C37H69N7O8S3	835.437	NA	PeJP	NA	NA
+PJ048602	GSCKKKW 	C37H61N11O9S	835.4375	NA	PeJP	NA	NA
+PJ048603	GLKFWW 	C45H57N9O7	835.4381	NA	PeJP	NA	NA
+PJ048604	TTTTKER 	C33H61N11O14	835.44	NA	PeJP	NA	NA
+PJ048605	ASLKMMR 	C34H65N11O9S2	835.4408	NA	PeJP	NA	NA
+PJ048606	GTLKMMR 	C34H65N11O9S2	835.4409	NA	PeJP	NA	NA
+PJ048607	GERRRY 	C34H57N15O10	835.4413	NA	PeJP	NA	NA
+PJ048608	PKKMFW 	C42H61N9O7S	835.4415	NA	PeJP	NA	NA
+PJ048609	STTTLKW 	C38H61N9O12	835.444	NA	PeJP	NA	NA
+PJ048610	LKKMMW 	C39H65N9O7S2	835.4449	NA	PeJP	NA	NA
+PJ048611	GVRRYW 	C39H57N13O8	835.4453	NA	PeJP	NA	NA
+PJ048612	GAPLHRW 	C39H57N13O8	835.4454	NA	PeJP	NA	NA
+PJ048613	STLKKEM 	C35H65N9O12S	835.4474	NA	PeJP	NA	NA
+PJ048614	LLLEYW 	C43H61N7O10	835.448	NA	PeJP	NA	NA
+PJ048615	VQMFRR 	C36H61N13O8S	835.4487	NA	PeJP	NA	NA
+PJ048616	TTTTTRR 	C32H61N13O13	835.4512	NA	PeJP	NA	NA
+PJ048617	SPLLLMY 	C40H65N7O10S	835.4514	NA	PeJP	NA	NA
+PJ048618	ACCKKKR 	C33H65N13O8S2	835.4521	NA	PeJP	NA	NA
+PJ048619	PDHRRR 	C33H57N17O9	835.4526	NA	PeJP	NA	NA
+PJ048620	LQKERY 	C37H61N11O11	835.4552	NA	PeJP	NA	NA
+PJ048621	GGGGGLKKY 	C37H61N11O11	835.4553	NA	PeJP	NA	NA
+PJ048622	RRRYW 	C38H57N15O7	835.4566	NA	PeJP	NA	NA
+PJ048623	STTLKMR 	C34H65N11O11S	835.4586	NA	PeJP	NA	NA
+PJ048624	VLQKYW 	C42H61N9O9	835.4593	NA	PeJP	NA	NA
+PJ048625	KKMHHR 	C35H61N15O7S	835.4599	NA	PeJP	NA	NA
+PJ048626	AMFRRR 	C35H61N15O7S	835.46	NA	PeJP	NA	NA
+PJ048627	GPLKKMY 	C39H65N9O9S	835.4626	NA	PeJP	NA	NA
+PJ048628	SSSTTLLK 	C35H65N9O14	835.4651	NA	PeJP	NA	NA
+PJ048629	SVLKKMM 	C36H69N9O9S2	835.466	NA	PeJP	NA	NA
+PJ048630	VDKRRY 	C36H61N13O10	835.4665	NA	PeJP	NA	NA
+PJ048631	SVLLLEY 	C40H65N7O12	835.4691	NA	PeJP	NA	NA
+PJ048632	SSCKKKR 	C33H65N13O10S	835.4698	NA	PeJP	NA	NA
+PJ048633	ALKRYW 	C41H61N11O8	835.4705	NA	PeJP	NA	NA
+PJ048634	AALKMFR 	C38H65N11O8S	835.4739	NA	PeJP	NA	NA
+PJ048635	GSSTTKKK 	C34H65N11O13	835.4764	NA	PeJP	NA	NA
+PJ048636	ACKKKKM 	C35H69N11O8S2	835.4772	NA	PeJP	NA	NA
+PJ048637	SVRRRY 	C35H61N15O9	835.4777	NA	PeJP	NA	NA
+PJ048638	GVLKKEY 	C39H65N9O11	835.4804	NA	PeJP	NA	NA
+PJ048639	PLKHRW 	C40H61N13O7	835.4817	NA	PeJP	NA	NA
+PJ048640	APLLLFY 	C44H65N7O9	835.4844	NA	PeJP	NA	NA
+PJ048641	VKMFRR 	C37H65N13O7S	835.4851	NA	PeJP	NA	NA
+PJ048642	ALLLLMY 	C41H69N7O9S	835.4878	NA	PeJP	NA	NA
+PJ048643	LKKERY 	C38H65N11O10	835.4916	NA	PeJP	NA	NA
+PJ048644	SSKKKKM 	C35H69N11O10S	835.495	NA	PeJP	NA	NA
+PJ048645	VLKKYW 	C43H65N9O8	835.4956	NA	PeJP	NA	NA
+PJ048646	PPPVLKW 	C43H65N9O8	835.4957	NA	PeJP	NA	NA
+PJ048647	GLLKKMF 	C40H69N9O8S	835.499	NA	PeJP	NA	NA
+PJ048648	TLKRRY 	C37H65N13O9	835.5029	NA	PeJP	NA	NA
+PJ048649	TTLLLLY 	C41H69N7O11	835.5055	NA	PeJP	NA	NA
+MJ095839	Scytophycin A; 6-Hydroxy, 27-ketone 	C45H73NO13	835.508191	NA	MeJP	NA	NA
+PJ048650	AALLHRR 	C36H65N15O8	835.5141	NA	PeJP	NA	NA
+HMDB09705	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H74NO8P	835.515198	NA	HMDB2010	NA	NA
+HMDB05354	GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H74NO8P	835.5152	http://www.hmdb.ca/metabolites/HMDB05354	HMDB	NA	NA
+HMDB05354	GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H74NO8P	835.5152	HMDB05354	PFEM_hmdb_metabocards_official	NA	NA
+PJ048651	ATLLKKY 	C40H69N9O10	835.5168	NA	PeJP	NA	NA
+PJ048652	ALLLLFF 	C45H69N7O8	835.5208	NA	PeJP	NA	NA
+PJ048653	VLHRRR 	C35H65N17O7	835.5253	NA	PeJP	NA	NA
+PJ048654	AAKKKKY 	C39H69N11O9	835.528	NA	PeJP	NA	NA
+HMDB10167	PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C46H78NO10P	835.536316	NA	HMDB2010	NA	NA
+HMDB12426	PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C46H78NO10P	835.536316	NA	HMDB2010	NA	NA
+HMDB12444	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	C46H78NO10P	835.536316	NA	HMDB2010	NA	NA
+PJ048655	PPVVLRR 	C38H69N13O8	835.5392	NA	PeJP	NA	NA
+PJ048656	GPPVLLLK 	C41H73N9O9	835.5532	NA	PeJP	NA	NA
+PJ048657	PPLLLKR 	C40H73N11O8	835.5644	NA	PeJP	NA	NA
+HMDB12315	3-O-Sulfogalactosylceramide (d18:1/20:0)	C44H85NO11S	835.584351	NA	HMDB2010	NA	NA
+EUR985	PC 38:2 [M+Na]+	C46H88NO8P	835.606703	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR985	PC 38:2 [M+Na]+	C46H88NO8P	835.606703	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR985	PC 38:2 [M+Na]+	C46H88NO8P	835.606703	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR985	PC 38:2 [M+Na]+	C46H88NO8P	835.606703	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08055	PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08056	PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08087	PC(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08120	PC(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08185	PC(18:3(6Z,9Z,12Z)/22:2(13Z,16Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08218	PC(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08250	PC(18:4(6Z,9Z,12Z,15Z)/22:1(13Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08281	PC(20:0/20:5(5Z,8Z,11Z,14Z,17Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08312	PC(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08313	PC(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08343	PC(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08344	PC(20:2(11Z,14Z)/20:3(8Z,11Z,14Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08375	PC(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08407	PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08439	PC(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08472	PC(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08504	PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08568	PC(22:1(13Z)/18:4(6Z,9Z,12Z,15Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08599	PC(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08600	PC(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08629	PC(22:4(7Z,10Z,13Z,16Z)/18:1(11Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08630	PC(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08661	PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+HMDB08694	PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	C48H86NO8P	835.609131	NA	HMDB2010	NA	NA
+MJ095840	Erythrosine 	C20H8I4O5	835.655047	NA	MeJP	NA	NA
+MJ095841	1,2-Diphytanylglycero-3-phosphoserine; 3'-Hydroxy 	C46H94NO9P	835.66662	NA	MeJP	NA	NA
+EUR1120	SM(d18:1/24:1) [M+Na]+	C47H94N2O6P	835.666897	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1120	SM(d18:1/24:1) [M+Na]+	C47H94N2O6P	835.666897	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1120	SM(d18:1/24:1) [M+Na]+	C47H94N2O6P	835.666897	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1120	SM(d18:1/24:1) [M+Na]+	C47H94N2O6P	835.666897	masses lipides attendues	Inhousejuil11	NA	NA
+3916	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+3924	aurein 2,1	GLLDIVKKVVGAFGSLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+3926	aurein 2,2	GLFDIVKKVVGALGSLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+3928	aurein 2,3,	GLFDIVKKVVGAIGSLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+4016	NA	GLFDVIKKVASVIGGLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+5456	aurein 2,1	GLLDIVKKVVGAFGSLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+5458	aurein 2,2	GLFDIVKKVVGALGSLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+5459	aurein 2,3	GLFDIVKKVVGAIGSLG	835.9879	MH2+	Inhouse_peptide	NA	peptide
+3911	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGLG	835.98795	MH2+	Inhouse_peptide	NA	peptide
+MJ095842	Leptosin G 	C32H32N6O7S7	836.037742	NA	MeJP	NA	NA
+MJ095843	P1,P4-Bis(5'-adenosyl) tetraphosphate 	C20H28N10O19P4	836.048264	NA	MeJP	NA	NA
+MetaCyc04163	P(1),P(4)-bis(5'-adenosyl)tetraphosphate []	C20H28N10O19P4	836.048265	NA	metacyc	NA	NA
+HMDB01211	Diadenosine tetraphosphate	C20H28N10O19P4	836.048279	NA	HMDB2010	NA	NA
+HMDB01211	Diadenosine tetraphosphate	C20H28N10O19P4	836.04828	http://www.hmdb.ca/metabolites/HMDB01211	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01211	Diadenosine tetraphosphate	C20H28N10O19P4	836.04828	http://www.hmdb.ca/metabolites/HMDB01211	HMDB	NA	NA
+HMDB01211	Diadenosine tetraphosphate	C20H28N10O19P4	836.04828	http://www.hmdb.ca/metabolites/HMDB01211	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01211	Diadenosine tetraphosphate	C20H28N10O19P4	836.04828	HMDB01211	PFEM_hmdb_metabocards_official	NA	NA
+C01260	P1,P4-Bis(5'-adenosyl) tetraphosphate	C20H28N10O19P4	836.0483	NA	KEGG	NA	NA
+PJ048658	PCCCCCCC 	C26H44N8O9S7	836.1277	NA	PeJP	NA	NA
+PJ048659	GCCCCCDM 	C26H44N8O11S6	836.1454	NA	PeJP	NA	NA
+PJ048660	SSCCCCCE 	C26H44N8O13S5	836.1632	NA	PeJP	NA	NA
+PJ048661	GSCCCCMM 	C27H48N8O10S6	836.1818	NA	PeJP	NA	NA
+PJ048662	CCCCNEY 	C30H44N8O12S4	836.1962	NA	PeJP	NA	NA
+PJ048663	SSTCCCCM 	C27H48N8O12S5	836.1996	NA	PeJP	NA	NA
+PJ048664	GPCCCCDH 	C29H44N10O11S4	836.2074	NA	PeJP	NA	NA
+PJ048665	GCCCCYW 	C34H44N8O9S4	836.2114	NA	PeJP	NA	NA
+PJ048666	GSSCCCDY 	C30H44N8O14S3	836.2139	NA	PeJP	NA	NA
+PJ048667	CCCCQMF 	C31H48N8O9S5	836.2148	NA	PeJP	NA	NA
+PJ048668	CCNDDMH 	C29H44N10O13S3	836.2252	NA	PeJP	NA	NA
+PJ048669	CCCCCFR 	C30H48N10O8S5	836.226	NA	PeJP	NA	NA
+PJ048670	NDDDDDE 	C29H40N8O21	836.2308	NA	PeJP	NA	NA
+PJ048671	GADDDDDD 	C29H40N8O21	836.2309	NA	PeJP	NA	NA
+PJ048672	SCCCQMY 	C31H48N8O11S4	836.2326	NA	PeJP	NA	NA
+PJ048673	GSCCCNNH 	C28H44N12O12S3	836.2364	NA	PeJP	NA	NA
+PJ048674	GCCCEHW 	C33H44N10O10S3	836.2404	NA	PeJP	NA	NA
+PJ048675	GSSCCDEH 	C29H44N10O15S2	836.2429	NA	PeJP	NA	NA
+PJ048676	GGGGGPCCDD 	C29H44N10O15S2	836.243	NA	PeJP	NA	NA
+PJ048677	SCCCCRY 	C30H48N10O10S4	836.2438	NA	PeJP	NA	NA
+PJ048678	GDDDDDW 	C33H40N8O18	836.2461	NA	PeJP	NA	NA
+PJ048679	GCCNDYY 	C34H44N8O13S2	836.247	NA	PeJP	NA	NA
+PJ048680	GSPCDDDE 	C30H44N8O18S	836.2495	NA	PeJP	NA	NA
+PJ048681	GSSSCCMY 	C31H48N8O13S3	836.2503	NA	PeJP	NA	NA
+PJ048682	CCCCKMF 	C32H52N8O8S5	836.2512	NA	PeJP	NA	NA
+PJ048683	CCCHWW 	C37H44N10O7S3	836.2557	NA	PeJP	NA	NA
+PJ048684	SSCCDHW 	C33H44N10O12S2	836.2582	NA	PeJP	NA	NA
+PJ048685	SSSSCDDH 	C29H44N10O17S	836.2607	NA	PeJP	NA	NA
+PJ048686	SCNDMMH 	C30H48N10O12S3	836.2616	NA	PeJP	NA	NA
+PJ048687	SPCDDDW 	C34H44N8O15S	836.2647	NA	PeJP	NA	NA
+PJ048688	PPCCCEW 	C35H48N8O10S3	836.2656	NA	PeJP	NA	NA
+PJ048689	SNDDEEE 	C30H44N8O20	836.2672	NA	PeJP	NA	NA
+PJ048690	SSSSTCCY 	C31H48N8O15S2	836.2681	NA	PeJP	NA	NA
+PJ048691	SCCCKMY 	C32H52N8O10S4	836.2689	NA	PeJP	NA	NA
+PJ048692	SPPPCCCM 	C32H52N8O10S4	836.269	NA	PeJP	NA	NA
+PJ048693	GSCNNNND 	C28H44N12O16S	836.2719	NA	PeJP	NA	NA
+PJ048694	GGGGGGGSCND 	C28H44N12O16S	836.272	NA	PeJP	NA	NA
+PJ048695	DDMMYY 	C36H48N6O13S2	836.2721	NA	PeJP	NA	NA
+PJ048696	SCCCEHR 	C29H48N12O11S3	836.2728	NA	PeJP	NA	NA
+C01051	Uroporphyrinogen III	C40H44N4O16	836.2752	NA	KEGG	NA	NA
+C05766	Uroporphyrinogen I	C40H44N4O16	836.2752	NA	KEGG	NA	NA
+HMDB01086	Uroporphyrinogen III	C40H44N4O16	836.275208	NA	HMDB2010	NA	NA
+HMDB02211	Uroporphyrinogen I	C40H44N4O16	836.275208	NA	HMDB2010	NA	NA
+HMDB01086	Uroporphyrinogen III	C40H44N4O16	836.27521	http://www.hmdb.ca/metabolites/HMDB01086	HMDB	NA	NA
+HMDB02211	Uroporphyrinogen I	C40H44N4O16	836.27521	http://www.hmdb.ca/metabolites/HMDB02211	HMDB	NA	NA
+HMDB01086	Uroporphyrinogen III	C40H44N4O16	836.27521	HMDB01086	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02211	Uroporphyrinogen I	C40H44N4O16	836.27521	HMDB02211	PFEM_hmdb_metabocards_official	NA	NA
+MJ095844	Uroporphyrinogen I 	C40H44N4O16	836.275231	NA	MeJP	NA	NA
+MetaCyc04164	uroporphyrinogen-III []	C40H44N4O16	836.275231	1976-85-8	metacyc	NA	NA
+MetaCyc04165	uroporyrinogen-III [uroporyrinogen III;uroporpyrinogen III;]	C40H44N4O16	836.275231	NA	metacyc	NA	NA
+MetaCyc04166	uroporyrinogen-I [uroporyrinogen I;uroporpyrinogen I;]	C40H44N4O16	836.275231	NA	metacyc	NA	NA
+PJ048697	ACNNDDW 	C33H44N10O14S	836.2759	NA	PeJP	NA	NA
+PJ048698	GCNNDEW 	C33H44N10O14S	836.276	NA	PeJP	NA	NA
+PJ048699	MMMMMY 	C34H56N6O8S5	836.2763	NA	PeJP	NA	NA
+PJ048700	GTCCMHW 	C34H48N10O9S3	836.2768	NA	PeJP	NA	NA
+PJ048701	SDDDDDR 	C29H44N10O19	836.2785	NA	PeJP	NA	NA
+MJ095845	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2-Bis(3-pyridinecarbonyl), 8,9-dibenzoyl, 6,14-di-Ac 	C45H44N2O14	836.279254	NA	MeJP	NA	NA
+MJ095846	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,8-Bis(3-pyridinecarbonyl), 6,9-dibenzoyl, 2,14-di-Ac 	C45H44N2O14	836.279254	NA	MeJP	NA	NA
+MJ095847	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,8-Bis(3-pyridinecarbonyl), 6,9-dibenzoyl, 1,14-di-Ac 	C45H44N2O14	836.279254	NA	MeJP	NA	NA
+PJ048702	PCCDDER 	C30H48N10O14S2	836.2793	NA	PeJP	NA	NA
+PJ048703	GCQMMMH 	C31H52N10O9S4	836.2802	NA	PeJP	NA	NA
+PJ048704	SCCNHHH 	C31H44N14O10S2	836.2807	NA	PeJP	NA	NA
+PJ048705	GSDDEEW 	C34H44N8O17	836.2825	NA	PeJP	NA	NA
+PJ048706	GPCDEMW 	C35H48N8O12S2	836.2833	NA	PeJP	NA	NA
+PJ048707	ANDEEEM 	C31H48N8O17S	836.2858	NA	PeJP	NA	NA
+PJ048708	GNEEEEM 	C31H48N8O17S	836.2859	NA	PeJP	NA	NA
+PJ048709	DDDFYY 	C39H44N6O15	836.2865	NA	PeJP	NA	NA
+PJ048710	GSPPCDMM 	C32H52N8O12S3	836.2867	NA	PeJP	NA	NA
+PJ048711	PCNDDHH 	C32H44N12O13S	836.2872	NA	PeJP	NA	NA
+PJ048712	CNNNNQM 	C29H48N12O13S2	836.2905	NA	PeJP	NA	NA
+PJ048713	GGCNNNQM 	C29H48N12O13S2	836.2906	NA	PeJP	NA	NA
+PJ048714	DMMMFY 	C37H52N6O10S3	836.2907	NA	PeJP	NA	NA
+PJ048715	CNNDWW 	C37H44N10O11S	836.2912	NA	PeJP	NA	NA
+PJ048716	GCCMMHR 	C30H52N12O8S4	836.2914	NA	PeJP	NA	NA
+PJ048717	SSNNDDW 	C33H44N10O16	836.2937	NA	PeJP	NA	NA
+PJ048718	SSSCMHW 	C34H48N10O11S2	836.2946	NA	PeJP	NA	NA
+PJ048719	GDDDEMR 	C30H48N10O16S	836.2971	NA	PeJP	NA	NA
+PJ048720	SDDEWW 	C38H44N8O14	836.2977	NA	PeJP	NA	NA
+PJ048721	SSNMMMH 	C31H52N10O11S3	836.2979	NA	PeJP	NA	NA
+PJ048722	GGSSMMMH 	C31H52N10O11S3	836.298	NA	PeJP	NA	NA
+PJ048723	PCDMWW 	C39H48N8O9S2	836.2986	NA	PeJP	NA	NA
+PJ048724	NEEEMW 	C35H48N8O14S	836.3011	NA	PeJP	NA	NA
+PJ048725	CCNNNNR 	C28H48N14O12S2	836.3018	NA	PeJP	NA	NA
+PJ048726	PPTCCMW 	C36H52N8O9S3	836.302	NA	PeJP	NA	NA
+PJ048727	SSQEEEE 	C31H48N8O19	836.3036	NA	PeJP	NA	NA
+PJ048728	SPNEEMM 	C32H52N8O14S2	836.3045	NA	PeJP	NA	NA
+PJ048729	ANDDEHH 	C32H44N12O15	836.3049	NA	PeJP	NA	NA
+PJ048730	GNDEEHH 	C32H44N12O15	836.305	NA	PeJP	NA	NA
+PJ048731	PCEYYY 	C40H48N6O12S	836.3051	NA	PeJP	NA	NA
+PJ048732	PPCQMMM 	C33H56N8O9S4	836.3053	NA	PeJP	NA	NA
+PJ048733	GAPPCMMM 	C33H56N8O9S4	836.3054	NA	PeJP	NA	NA
+PJ048734	GCCDHFR 	C33H48N12O10S2	836.3058	NA	PeJP	NA	NA
+PJ048735	SCNNDER 	C29H48N12O15S	836.3083	NA	PeJP	NA	NA
+PJ048736	TEMMYY 	C37H52N6O12S2	836.3085	NA	PeJP	NA	NA
+PJ048737	STCCMHR 	C30H52N12O10S3	836.3092	NA	PeJP	NA	NA
+PJ048738	MMMMFF 	C38H56N6O7S4	836.3094	NA	PeJP	NA	NA
+PJ048739	CNMHFW 	C38H48N10O8S2	836.3098	NA	PeJP	NA	NA
+PJ048740	DDDMRW 	C34H48N10O13S	836.3123	NA	PeJP	NA	NA
+PJ048741	GGGGGSEMW 	C34H48N10O13S	836.3124	NA	PeJP	NA	NA
+PJ048742	PCCCKHF 	C35H52N10O8S3	836.3132	NA	PeJP	NA	NA
+PJ048743	SSDDEER 	C30H48N10O18	836.3148	NA	PeJP	NA	NA
+PJ048744	GGGGGSSTEE 	C30H48N10O18	836.3149	NA	PeJP	NA	NA
+PJ048745	SPCDEMR 	C31H52N10O13S2	836.3157	NA	PeJP	NA	NA
+PJ048746	SNNNDHH 	C31H44N14O14	836.3162	NA	PeJP	NA	NA
+PJ048747	CNQFYY 	C39H48N8O11S	836.3163	NA	PeJP	NA	NA
+PJ048748	GEEMWW 	C39H48N8O11S	836.3164	NA	PeJP	NA	NA
+PJ048749	PPCCMMR 	C32H56N10O8S4	836.3166	NA	PeJP	NA	NA
+PJ048750	GSSSSSYY 	C35H48N8O16	836.3188	NA	PeJP	NA	NA
+PJ048751	GSTEEEW 	C35H48N8O16	836.3189	NA	PeJP	NA	NA
+PJ048752	GSPEMMW 	C36H52N8O11S2	836.3197	NA	PeJP	NA	NA
+PJ048753	NDEHHW 	C36H44N12O12	836.3202	NA	PeJP	NA	NA
+PJ048754	GDKEEEM 	C32H52N8O16S	836.3222	NA	PeJP	NA	NA
+PJ048755	AEEYYY 	C40H48N6O14	836.3229	NA	PeJP	NA	NA
+PJ048756	APQEMMM 	C33H56N8O11S3	836.3231	NA	PeJP	NA	NA
+PJ048757	GSCNDRW 	C33H48N12O12S	836.3236	NA	PeJP	NA	NA
+PJ048758	DMMFFF 	C41H52N6O9S2	836.3238	NA	PeJP	NA	NA
+PJ048759	GSSSNDDR 	C29H48N12O17	836.3261	NA	PeJP	NA	NA
+PJ048760	GNNDMMR 	C30H52N12O12S2	836.3269	NA	PeJP	NA	NA
+PJ048761	GGGNDMMR 	C30H52N12O12S2	836.327	NA	PeJP	NA	NA
+PJ048762	VMMMYY 	C38H56N6O9S3	836.3271	NA	PeJP	NA	NA
+PJ048763	SNNMWW 	C38H48N10O10S	836.3276	NA	PeJP	NA	NA
+PJ048764	SSSNQEW 	C34H48N10O15	836.3301	NA	PeJP	NA	NA
+PJ048765	NQQMMW 	C35H52N10O10S2	836.331	NA	PeJP	NA	NA
+PJ048766	EMWWW 	C43H48N8O8S	836.3316	NA	PeJP	NA	NA
+PJ048767	SSQQQEM 	C31H52N10O15S	836.3334	NA	PeJP	NA	NA
+PJ048768	GSEEEMR 	C31H52N10O15S	836.3335	NA	PeJP	NA	NA
+PJ048769	STEEWW 	C39H48N8O13	836.3341	NA	PeJP	NA	NA
+PJ048770	GPDMMMR 	C32H56N10O10S3	836.3343	NA	PeJP	NA	NA
+PJ048771	GGGGPCKMM 	C32H56N10O10S3	836.3344	NA	PeJP	NA	NA
+PJ048772	GNNQMHH 	C32H48N14O11S	836.3348	NA	PeJP	NA	NA
+PJ048773	SPMMWW 	C40H52N8O8S2	836.335	NA	PeJP	NA	NA
+PJ048774	GDHHWW 	C40H44N12O9	836.3355	NA	PeJP	NA	NA
+PJ048775	DKEEMW 	C36H52N8O13S	836.3375	NA	PeJP	NA	NA
+PJ048776	DDFFFF 	C44H48N6O11	836.3381	NA	PeJP	NA	NA
+PJ048777	GCCNERR 	C29H52N14O11S2	836.3382	NA	PeJP	NA	NA
+PJ048778	AAPMMMW 	C37H56N8O8S3	836.3384	NA	PeJP	NA	NA
+PJ048779	GPTCHHW 	C37H48N12O9S	836.3388	NA	PeJP	NA	NA
+PJ048780	SSKEEEE 	C32H52N8O18	836.34	NA	PeJP	NA	NA
+PJ048781	PTTQEMM 	C33H56N8O13S2	836.3408	NA	PeJP	NA	NA
+PJ048782	GLQEEMM 	C33H56N8O13S2	836.3409	NA	PeJP	NA	NA
+PJ048783	GNNNQQY 	C33H48N12O14	836.3413	NA	PeJP	NA	NA
+PJ048784	GGGGGGGGAQY 	C33H48N12O14	836.3414	NA	PeJP	NA	NA
+PJ048785	PTMYYY 	C41H52N6O11S	836.3415	NA	PeJP	NA	NA
+PJ048786	PPCKMMM 	C34H60N8O8S4	836.3417	NA	PeJP	NA	NA
+PJ048787	CNQMRW 	C34H52N12O9S2	836.3422	NA	PeJP	NA	NA
+PJ048788	CHHFFF 	C42H48N10O7S	836.3429	NA	PeJP	NA	NA
+PJ048789	SSNNEMR 	C30H52N12O14S	836.3447	NA	PeJP	NA	NA
+PJ048790	GSSSQWW 	C38H48N10O12	836.3453	NA	PeJP	NA	NA
+PJ048791	GGGSSTWW 	C38H48N10O12	836.3454	NA	PeJP	NA	NA
+PJ048792	PCCCQKR 	C31H56N12O9S3	836.3456	NA	PeJP	NA	NA
+PJ048793	GCNNHHR 	C31H48N16O10S	836.346	NA	PeJP	NA	NA
+PJ048794	GGGCNHHR 	C31H48N16O10S	836.3461	NA	PeJP	NA	NA
+PJ048795	SEEMRW 	C35H52N10O12S	836.3487	NA	PeJP	NA	NA
+PJ048796	GPEYWW 	C43H48N8O10	836.3494	NA	PeJP	NA	NA
+PJ048797	SSTEEER 	C31H52N10O17	836.3512	NA	PeJP	NA	NA
+PJ048798	AAEEMMR 	C32H56N10O12S2	836.3521	NA	PeJP	NA	NA
+PJ048799	SSNQQHH 	C32H48N14O13	836.3525	NA	PeJP	NA	NA
+PJ048800	GSDEHHR 	C32H48N14O13	836.3526	NA	PeJP	NA	NA
+PJ048801	SVEMWW 	C40H52N8O10S	836.3527	NA	PeJP	NA	NA
+PJ048802	GAPEMFW 	C40H52N8O10S	836.3528	NA	PeJP	NA	NA
+PJ048803	CCNRRW 	C33H52N14O8S2	836.3534	NA	PeJP	NA	NA
+PJ048804	SSSLEEW 	C36H52N8O15	836.3552	NA	PeJP	NA	NA
+PJ048805	GPDKEEY 	C36H52N8O15	836.3553	NA	PeJP	NA	NA
+PJ048806	SSCNDRR 	C29H52N14O13S	836.3559	NA	PeJP	NA	NA
+MJ095848	4-O-?-D-Xylopyranosyl-D-xylose; ?-Pyranose-form, Benzyl glycoside, 3'-benzoyl, tetrabenzyl 	C52H52O10	836.356047	NA	MeJP	NA	NA
+PJ048807	LQEMMW 	C37H56N8O10S2	836.3561	NA	PeJP	NA	NA
+PJ048808	TQEHHW 	C37H48N12O11	836.3566	NA	PeJP	NA	NA
+PJ048809	ATKEEEM 	C33H56N8O15S	836.3586	NA	PeJP	NA	NA
+PJ048810	SLEYYY 	C41H52N6O13	836.3593	NA	PeJP	NA	NA
+PJ048811	APKEMMM 	C34H60N8O10S3	836.3595	NA	PeJP	NA	NA
+PJ048812	ASSCQRW 	C34H52N12O11S	836.3599	NA	PeJP	NA	NA
+PJ048813	GSSNMRW 	C34H52N12O11S	836.36	NA	PeJP	NA	NA
+PJ048814	VMMFFY 	C42H56N6O8S2	836.3601	NA	PeJP	NA	NA
+PJ048815	GNQFWW 	C42H48N10O9	836.3606	NA	PeJP	NA	NA
+PJ048816	SSSSNNNK 	C30H52N12O16	836.3624	NA	PeJP	NA	NA
+PJ048817	GSSSSQER 	C30H52N12O16	836.3625	NA	PeJP	NA	NA
+PJ048818	DEMMRR 	C31H56N12O11S2	836.3633	NA	PeJP	NA	NA
+PJ048819	GGGGGACCKK 	C31H56N12O11S2	836.3634	NA	PeJP	NA	NA
+PJ048820	SCQKWW 	C39H52N10O9S	836.364	NA	PeJP	NA	NA
+PJ048821	PYWWW 	C47H48N8O7	836.3646	NA	PeJP	NA	NA
+PJ048822	SSSNKEW 	C35H52N10O14	836.3665	NA	PeJP	NA	NA
+PJ048823	NQKMMW 	C36H56N10O9S2	836.3673	NA	PeJP	NA	NA
+PJ048824	VDMMRW 	C36H56N10O9S2	836.3674	NA	PeJP	NA	NA
+PJ048825	SDHHRW 	C36H48N14O10	836.3678	NA	PeJP	NA	NA
+PJ048826	APMFWW 	C44H52N8O7S	836.368	NA	PeJP	NA	NA
+PJ048827	ATTEEMR 	C32H56N10O14S	836.3698	NA	PeJP	NA	NA
+PJ048828	VTTDDMR 	C32H56N10O14S	836.3699	NA	PeJP	NA	NA
+PJ048829	PDKEYW 	C40H52N8O12	836.3705	NA	PeJP	NA	NA
+PJ048830	APTMMMR 	C33H60N10O9S3	836.3707	NA	PeJP	NA	NA
+PJ048831	QEMHHR 	C33H52N14O10S	836.3712	NA	PeJP	NA	NA
+PJ048832	ALMMWW 	C41H56N8O7S2	836.3714	NA	PeJP	NA	NA
+PJ048833	ATHHWW 	C41H48N12O8	836.3718	NA	PeJP	NA	NA
+PJ048834	GGPHHFW 	C41H48N12O8	836.3719	NA	PeJP	NA	NA
+PJ048835	GTTLEMW 	C37H56N8O12S	836.3739	NA	PeJP	NA	NA
+PJ048836	PTFFYY 	C45H52N6O10	836.3745	NA	PeJP	NA	NA
+PJ048837	GSCQMRR 	C30H56N14O10S2	836.3746	NA	PeJP	NA	NA
+PJ048838	VQMHHW 	C38H52N12O8S	836.3752	NA	PeJP	NA	NA
+PJ048839	TTTKEEE 	C33H56N8O17	836.3764	NA	PeJP	NA	NA
+PJ048840	AVKEEMM 	C34H60N8O12S2	836.3772	NA	PeJP	NA	NA
+PJ048841	GLKEEMM 	C34H60N8O12S2	836.3773	NA	PeJP	NA	NA
+PJ048842	SSSSQRW 	C34H52N12O13	836.3777	NA	PeJP	NA	NA
+PJ048843	GGGGGGGGAPPP 	C34H52N12O13	836.3778	NA	PeJP	NA	NA
+PJ048844	VVMYYY 	C42H56N6O10S	836.3779	NA	PeJP	NA	NA
+PJ048845	CNKMRW 	C35H56N12O8S2	836.3786	NA	PeJP	NA	NA
+PJ048846	AAQHHHH 	C35H48N16O9	836.3791	NA	PeJP	NA	NA
+PJ048847	SSNDKMR 	C31H56N12O13S	836.3811	NA	PeJP	NA	NA
+PJ048848	GSSSKWW 	C39H52N10O11	836.3817	NA	PeJP	NA	NA
+PJ048849	GGGGGALYW 	C39H52N10O11	836.3818	NA	PeJP	NA	NA
+PJ048850	PCCCKKR 	C32H60N12O8S3	836.382	NA	PeJP	NA	NA
+PJ048851	CEHHRR 	C32H52N16O9S	836.3824	NA	PeJP	NA	NA
+PJ048852	GSTQKMW 	C36H56N10O11S	836.3851	NA	PeJP	NA	NA
+PJ048853	SPVYWW 	C44H52N8O9	836.3858	NA	PeJP	NA	NA
+PJ048854	AMHHRW 	C37H52N14O7S	836.3865	NA	PeJP	NA	NA
+PJ048855	TTTTEER 	C32H56N10O16	836.3876	NA	PeJP	NA	NA
+PJ048856	GTLEMMR 	C33H60N10O11S2	836.3885	NA	PeJP	NA	NA
+PJ048857	NNDRRY 	C33H52N14O12	836.3889	NA	PeJP	NA	NA
+PJ048858	GGNDRRY 	C33H52N14O12	836.389	NA	PeJP	NA	NA
+PJ048859	TTLMWW 	C41H56N8O9S	836.3891	NA	PeJP	NA	NA
+PJ048860	NHHHHR 	C34H48N18O8	836.3903	NA	PeJP	NA	NA
+PJ048861	STTTLEW 	C37H56N8O14	836.3916	NA	PeJP	NA	NA
+PJ048862	SSSNMRR 	C30H56N14O12S	836.3923	NA	PeJP	NA	NA
+PJ048863	LKEMMW 	C38H60N8O9S2	836.3925	NA	PeJP	NA	NA
+PJ048864	GQQRYW 	C38H52N12O10	836.393	NA	PeJP	NA	NA
+PJ048865	VMFFFF 	C46H56N6O7S	836.3932	NA	PeJP	NA	NA
+PJ048866	STLKEEM 	C34H60N8O14S	836.395	NA	PeJP	NA	NA
+PJ048867	SPLKMMM 	C35H64N8O9S3	836.3959	NA	PeJP	NA	NA
+PJ048868	GSTCKRW 	C35H56N12O10S	836.3963	NA	PeJP	NA	NA
+PJ048869	GGGPCKRY 	C35H56N12O10S	836.3964	NA	PeJP	NA	NA
+PJ048870	GNKFWW 	C43H52N10O8	836.397	NA	PeJP	NA	NA
+PJ048871	GSSSSKER 	C31H56N12O15	836.3988	NA	PeJP	NA	NA
+PJ048872	GSQKMMR 	C32H60N12O10S2	836.3997	NA	PeJP	NA	NA
+PJ048873	SCKKWW 	C40H56N10O8S	836.4004	NA	PeJP	NA	NA
+PJ048874	LFWWW 	C48H52N8O6	836.401	NA	PeJP	NA	NA
+PJ048875	SSTTQKW 	C36H56N10O13	836.4028	NA	PeJP	NA	NA
+PJ048876	SSSDKKW 	C36H56N10O13	836.4029	NA	PeJP	NA	NA
+PJ048877	TLMMRW 	C37H60N10O8S2	836.4037	NA	PeJP	NA	NA
+PJ048878	TTHHRW 	C37H52N14O9	836.4042	NA	PeJP	NA	NA
+PJ048879	STTLEMR 	C33H60N10O13S	836.4062	NA	PeJP	NA	NA
+MJ095849	Cyclosquamosin D 	C41H56N8O11	836.406854	NA	MeJP	NA	NA
+PJ048880	VLQEYW 	C41H56N8O11	836.4069	NA	PeJP	NA	NA
+PJ048881	GVLMMMR 	C34H64N10O8S3	836.4071	NA	PeJP	NA	NA
+PJ048882	NNMFRR 	C34H56N14O9S	836.4076	NA	PeJP	NA	NA
+PJ048883	LHHHFF 	C42H52N12O7	836.4082	NA	PeJP	NA	NA
+PJ048884	GSSSSTRR 	C30H56N14O14	836.4101	NA	PeJP	NA	NA
+PJ048885	SSTLLMW 	C38H60N8O11S	836.4102	NA	PeJP	NA	NA
+PJ048886	GPLKEMY 	C38H60N8O11S	836.4103	NA	PeJP	NA	NA
+PJ048887	VVFFYY 	C46H56N6O9	836.4109	NA	PeJP	NA	NA
+PJ048888	GSCKMRR 	C31H60N14O9S2	836.411	NA	PeJP	NA	NA
+PJ048889	VKMHHW 	C39H56N12O7S	836.4116	NA	PeJP	NA	NA
+PJ048890	ATTTTTLE 	C34H60N8O16	836.4127	NA	PeJP	NA	NA
+PJ048891	SSSTTLLE 	C34H60N8O16	836.4128	NA	PeJP	NA	NA
+PJ048892	SVLKEMM 	C35H64N8O11S2	836.4136	NA	PeJP	NA	NA
+PJ048893	SSSSKRW 	C35H56N12O12	836.4141	NA	PeJP	NA	NA
+PJ048894	PMMFRR 	C36H60N12O7S2	836.415	NA	PeJP	NA	NA
+PJ048895	AAKHHHH 	C36H52N16O8	836.4154	NA	PeJP	NA	NA
+PJ048896	GPPHHHR 	C36H52N16O8	836.4155	NA	PeJP	NA	NA
+PJ048897	SSTQKMR 	C32H60N12O12S	836.4175	NA	PeJP	NA	NA
+PJ048898	ALERYW 	C40H56N10O10	836.4181	NA	PeJP	NA	NA
+PJ048899	LMMMRR 	C33H64N12O7S3	836.4183	NA	PeJP	NA	NA
+PJ048900	TMHHRR 	C33H56N16O8S	836.4188	NA	PeJP	NA	NA
+MJ095850	3,12,14-Trihydroxypregn-5-ene-15,20-dione, 12-Ac, glycoside 	C43H64O16	836.419436	NA	MeJP	NA	NA
+MJ095851	Abrusogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-6-methylglucuronopyranoside] 	C43H64O16	836.419436	NA	MeJP	NA	NA
+MJ095852	Halichondramide 	C44H60N4O12	836.420773	NA	MeJP	NA	NA
+MJ095853	Rifametane 	C44H60N4O12	836.420773	NA	MeJP	NA	NA
+PJ048901	GSTKKMW 	C37H60N10O10S	836.4215	NA	PeJP	NA	NA
+PJ048902	GLLYWW 	C45H56N8O8	836.4221	NA	PeJP	NA	NA
+PJ048903	GAPLFFW 	C45H56N8O8	836.4222	NA	PeJP	NA	NA
+PJ048904	GSSTTKKE 	C33H60N10O15	836.424	NA	PeJP	NA	NA
+PJ048905	SSLLMMR 	C34H64N10O10S2	836.4249	NA	PeJP	NA	NA
+PJ048906	SQQRRY 	C34H56N14O11	836.4253	NA	PeJP	NA	NA
+PJ048907	GGGPKEHR 	C34H56N14O11	836.4254	NA	PeJP	NA	NA
+PJ048908	PLKMYW 	C42H60N8O8S	836.4255	NA	PeJP	NA	NA
+PJ048909	GVLKEEY 	C38H60N8O13	836.428	NA	PeJP	NA	NA
+PJ048910	SSTCKRR 	C31H60N14O11S	836.4287	NA	PeJP	NA	NA
+PJ048911	APLKMMF 	C39H64N8O8S2	836.4289	NA	PeJP	NA	NA
+PJ048912	GQKRYW 	C39H56N12O9	836.4294	NA	PeJP	NA	NA
+PJ048913	SSSSLLLM 	C35H64N8O13S	836.4314	NA	PeJP	NA	NA
+PJ048914	ALLKMMM 	C36H68N8O8S3	836.4323	NA	PeJP	NA	NA
+PJ048915	VEMFRR 	C36H60N12O9S	836.4327	NA	PeJP	NA	NA
+PJ048916	PVLHWW 	C44H56N10O7	836.4334	NA	PeJP	NA	NA
+PJ048917	GSSTTTKR 	C32H60N12O14	836.4352	NA	PeJP	NA	NA
+PJ048918	GSKKMMR 	C33H64N12O9S2	836.4361	NA	PeJP	NA	NA
+PJ048919	GSPQHRR 	C33H56N16O10	836.4366	NA	PeJP	NA	NA
+PJ048920	VVMFRW 	C41H60N10O7S	836.4368	NA	PeJP	NA	NA
+MJ095854	Acanthifolicin 	C44H68O13S	836.438062	NA	MeJP	NA	NA
+MJ095855	Melanodocin 	C44H68O13S	836.438062	NA	MeJP	NA	NA
+PJ048921	SSTTKKW 	C37H60N10O12	836.4392	NA	PeJP	NA	NA
+PJ048922	LKEERY 	C37H60N10O12	836.4393	NA	PeJP	NA	NA
+MJ095856	Furostane-1,2,3,4,5,22,26-heptol, 22-Me ether, 5,26-di-O-?-D-glucopyranoside 	C40H68O18	836.440565	NA	MeJP	NA	NA
+PJ048923	PNKHRW 	C38H56N14O8	836.4406	NA	PeJP	NA	NA
+PJ048924	SSKKKEM 	C34H64N10O12S	836.4426	NA	PeJP	NA	NA
+PJ048925	VLKEYW 	C42H60N8O10	836.4433	NA	PeJP	NA	NA
+PJ048926	CQKFRR 	C35H60N14O8S	836.444	NA	PeJP	NA	NA
+PJ048927	SPVLKMY 	C39H64N8O10S	836.4466	NA	PeJP	NA	NA
+PJ048928	GGALLLMY 	C39H64N8O10S	836.4467	NA	PeJP	NA	NA
+PJ048929	STTTTTLL 	C35H64N8O15	836.4491	NA	PeJP	NA	NA
+PJ048930	TTLLKMM 	C36H68N8O10S2	836.45	NA	PeJP	NA	NA
+PJ048931	TLERRY 	C36H60N12O11	836.4505	NA	PeJP	NA	NA
+PJ048932	SSTKKMR 	C33H64N12O11S	836.4538	NA	PeJP	NA	NA
+MJ095857	Anabaenopeptin B 	C41H60N10O9	836.454473	NA	MeJP	NA	NA
+PJ048933	SLLRYW 	C41H60N10O9	836.4545	NA	PeJP	NA	NA
+MJ095858	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-(6-O-Acetyl-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester 	C44H68O15	836.455821	NA	MeJP	NA	NA
+3261	beta-lactokinin (fr, of beta-lactoglobulin: 142-148)	ALPMHIR	836.4564	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ048934	AALLMRY 	C38H64N10O9S	836.4579	NA	PeJP	NA	NA
+PJ048935	PLKFFW 	C46H60N8O7	836.4585	NA	PeJP	NA	NA
+PJ048936	SSSSTLKK 	C34H64N10O14	836.4604	NA	PeJP	NA	NA
+PJ048937	ATKKKMM 	C35H68N10O9S2	836.4612	NA	PeJP	NA	NA
+PJ048938	SQKRRY 	C35H60N14O10	836.4617	NA	PeJP	NA	NA
+PJ048939	LLKMFW 	C43H64N8O7S	836.4619	NA	PeJP	NA	NA
+PJ048940	ATLLKEY 	C39H64N8O12	836.4644	NA	PeJP	NA	NA
+PJ048941	GKKRYW 	C40H60N12O8	836.4657	NA	PeJP	NA	NA
+PJ048942	GPPPKRW 	C40H60N12O8	836.4658	NA	PeJP	NA	NA
+PJ048943	VLMRRY 	C37H64N12O8S	836.4691	NA	PeJP	NA	NA
+PJ048944	GSPKHRR 	C34H60N16O9	836.473	NA	PeJP	NA	NA
+PJ048945	ATTLLRY 	C38H64N10O11	836.4756	NA	PeJP	NA	NA
+PJ048946	GGVLLLEH 	C38H64N10O11	836.4757	NA	PeJP	NA	NA
+PJ048947	LKHHFR 	C39H60N14O7	836.477	NA	PeJP	NA	NA
+PJ048948	TTTKKKM 	C35H68N10O11S	836.479	NA	PeJP	NA	NA
+PJ048949	GPLLKFY 	C43H64N8O9	836.4797	NA	PeJP	NA	NA
+PJ048950	CKKFRR 	C36H64N14O7S	836.4804	NA	PeJP	NA	NA
+PJ048951	GLLLKMY 	C40H68N8O9S	836.483	NA	PeJP	NA	NA
+PJ048952	VNHRRR 	C33H60N18O8	836.4842	NA	PeJP	NA	NA
+PJ048953	DKKKRY 	C37H64N12O10	836.4869	NA	PeJP	NA	NA
+PJ048954	TKKKFW 	C42H64N10O8	836.4909	NA	PeJP	NA	NA
+MJ095859	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4,6-Di-O-acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside 	C45H72O14	836.492207	NA	MeJP	NA	NA
+MJ095860	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(6-O-Acetyl-?-D-glucopyranoside), 3-O-(4-O-acetyl-?-D-xylopyranoside) 	C45H72O14	836.492207	NA	MeJP	NA	NA
+PJ048955	GVKKKMF 	C39H68N10O8S	836.4943	NA	PeJP	NA	NA
+PJ048956	GHRRRR 	C32H60N20O7	836.4954	NA	PeJP	NA	NA
+PJ048957	SKKRRY 	C36H64N14O9	836.4981	NA	PeJP	NA	NA
+MJ095861	Antibiotic LL-BH 890? 	C41H74NO16	836.50076	NA	MeJP	NA	NA
+MJ095862	Pentafungin 	C41H74NO16	836.50076	NA	MeJP	NA	NA
+PJ048958	STLLLKY 	C40H68N8O11	836.5008	NA	PeJP	NA	NA
+PJ048959	LLLHRW 	C41H64N12O7	836.5021	NA	PeJP	NA	NA
+MJ095863	Dolastatin 15 	C45H68N6O9	836.504777	NA	MeJP	NA	NA
+PJ048960	KKKMFR 	C38H68N12O7S	836.5055	NA	PeJP	NA	NA
+PJ048961	LQKHRR 	C35H64N16O8	836.5093	NA	PeJP	NA	NA
+PJ048962	GPPVRRR 	C35H64N16O8	836.5094	NA	PeJP	NA	NA
+PJ048963	GTLKKKY 	C39H68N10O10	836.512	NA	PeJP	NA	NA
+PJ048964	PPVLLLW 	C44H68N8O8	836.516	NA	PeJP	NA	NA
+PJ048965	PPRRRR 	C34H64N18O7	836.5206	NA	PeJP	NA	NA
+MJ095864	Amitenone 	C53H72O8	836.522719	NA	MeJP	NA	NA
+PJ048966	SVLLLHR 	C38H68N12O9	836.5233	NA	PeJP	NA	NA
+MJ095865	Roxithromycin 	C41H76N2O15	836.524569	NA	MeJP	NA	NA
+C13173	Roxithromycin	C41H76N2O15	836.5246	NA	KEGG	NA	NA
+C13174	Transferred to D01711	C41H76N2O15	836.5246	NA	KEGG	NA	NA
+C13175	Transferred to D01712	C41H76N2O15	836.5246	NA	KEGG	NA	NA
+C13176	Transferred to D01713	C41H76N2O15	836.5246	NA	KEGG	NA	NA
+C13177	Transferred to D01714	C41H76N2O15	836.5246	NA	KEGG	NA	NA
+C13178	Transferred to D01715	C41H76N2O15	836.5246	NA	KEGG	NA	NA
+PJ048967	APPLKRR 	C37H68N14O8	836.5345	NA	PeJP	NA	NA
+PJ048968	APPTLLLL 	C41H72N8O10	836.5372	NA	PeJP	NA	NA
+C13888	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1'-myo-	C43H81O13P	836.5415	NA	KEGG	NA	NA
+HMDB09782	PI(16:0/18:1(11Z))	C43H81O13P	836.541504	NA	HMDB2010	NA	NA
+HMDB09783	PI(16:0/18:1(9Z))	C43H81O13P	836.541504	NA	HMDB2010	NA	NA
+HMDB09799	PI(16:1(9Z)/18:0)	C43H81O13P	836.541504	NA	HMDB2010	NA	NA
+HMDB09806	PI(18:0/16:1(9Z))	C43H81O13P	836.541504	NA	HMDB2010	NA	NA
+HMDB09822	PI(18:1(11Z)/16:0)	C43H81O13P	836.541504	NA	HMDB2010	NA	NA
+HMDB09834	PI(18:1(9Z)/16:0)	C43H81O13P	836.541504	NA	HMDB2010	NA	NA
+PJ048969	LKKHRR 	C36H68N16O7	836.5457	NA	PeJP	NA	NA
+PJ048970	TLLLLKH 	C40H72N10O9	836.5484	NA	PeJP	NA	NA
+PJ048971	PPVLKKR 	C39H72N12O8	836.5596	NA	PeJP	NA	NA
+PJ048972	GPVLLLLL 	C42H76N8O9	836.5736	NA	PeJP	NA	NA
+PJ048973	PLLLLLR 	C41H76N10O8	836.5848	NA	PeJP	NA	NA
+MJ095866	Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-(9,12-Octadecadienoyl)-?-D-glucopyranoside] 	C53H88O7	836.653005	NA	MeJP	NA	NA
+MJ095867	20(29)-Lupen-3-ol, 3,5-Diacetoxyeicosanoyl 	C54H92O6	836.68939	NA	MeJP	NA	NA
+HMDB02170	Malonyl-CoA semialdehyde	C24H38N7O18P3S	837.120667	NA	HMDB2010	NA	NA
+HMDB02170	Malonyl-CoA semialdehyde	C24H38N7O18P3S	837.12067	http://www.hmdb.ca/metabolites/HMDB02170	HMDB	NA	NA
+HMDB06808	3-Oxopropionyl-CoA	C24H38N7O18P3S	837.12067	http://www.hmdb.ca/metabolites/HMDB06808	HMDB	NA	NA
+HMDB02170	Malonyl-CoA semialdehyde	C24H38N7O18P3S	837.12067	HMDB02170	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06808	3-Oxopropionyl-CoA	C24H38N7O18P3S	837.12067	HMDB06808	PFEM_hmdb_metabocards_official	NA	NA
+MJ095868	3-Oxopropionyl-CoA 	C24H38N7O18P3S	837.120687	NA	MeJP	NA	NA
+MetaCyc04167	malonate semialdehyde-CoA [malonate semialdehyde-coenzyme A;]	C24H38N7O18P3S1	837.120688	NA	metacyc	NA	NA
+C05989	3-Oxopropionyl-CoA	C24H38N7O18P3S	837.1207	NA	KEGG	NA	NA
+PJ048974	SCCCCCCN 	C25H43N9O11S6	837.1407	NA	PeJP	NA	NA
+HMDB01088	Butyryl-CoA	C25H42N7O17P3S	837.15704	http://www.hmdb.ca/metabolites/HMDB01088	HMDB	NA	NA
+HMDB01243	Isobutyryl-CoA	C25H42N7O17P3S	837.15704	http://www.hmdb.ca/metabolites/HMDB01243	HMDB	NA	NA
+HMDB01088	Butyryl-CoA	C25H42N7O17P3S	837.15704	HMDB01088	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01243	Isobutyryl-CoA	C25H42N7O17P3S	837.15704	HMDB01243	PFEM_hmdb_metabocards_official	NA	NA
+MJ095869	2-Methylpropanoyl-CoA 	C25H42N7O17P3S	837.157073	NA	MeJP	NA	NA
+MJ095870	Butanoyl-CoA 	C25H42N7O17P3S	837.157073	NA	MeJP	NA	NA
+MetaCyc04168	isobutyryl-CoA [2-methylpropanoyl-CoA;isobutyryl-coenzyme A;2-methylpropionyl-CoA;S-(2-methylpropanoyl)-CoA;]	C25H42N7O17P3S1	837.157073	15621-60-0	metacyc	NA	NA
+MetaCyc04169	butyryl-CoA [butanoyl-CoA;butyryl-coenzyme A;]	C25H42N7O17P3S1	837.157073	2140-48-9	metacyc	NA	NA
+C00136	Butanoyl-CoA	C25H42N7O17P3S	837.1571	NA	KEGG	NA	NA
+C00630	2-Methylpropanoyl-CoA	C25H42N7O17P3S	837.1571	NA	KEGG	NA	NA
+LABER053	n-butyryl-CoA	NA	837.157104	NA	PFEM_hmdb_metabocards_urine	NA	urine
+LABER053	n-butyryl-CoA	NA	837.157104	NA	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+LABER053	n-butyryl-CoA	NA	837.157104	NA	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+LABER053	n-butyryl-CoA	NA	837.157104	NA	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+LABER053	n-butyryl-CoA	NA	837.157104	NA	HMDB	NA	NA
+HMDB01088	Butyryl-CoA	C25H42N7O17P3S	837.157104	NA	HMDB2010	NA	NA
+HMDB01243	Isobutyryl-CoA	C25H42N7O17P3S	837.157104	NA	HMDB2010	NA	NA
+LABER053	n-butyryl-CoA	NA	837.157104	NA	Inhouse_PFEM	NA	NA
+LABER053	n-butyryl-CoA	NA	837.157104	NA	Inhousejuil11	NA	NA
+LABER053	n-butyryl-CoA	NA	837.157104	NA	PFEM_hmdb_metabocards_blood	NA	blood
+LABER053	n-butyryl-CoA	NA	837.157104	NA	PFEM_hmdb_metabocards_official	NA	NA
+PJ048975	CCCCDEY 	C30H43N7O13S4	837.1802	NA	PeJP	NA	NA
+PJ048976	CCCCEMF 	C31H47N7O10S5	837.1988	NA	PeJP	NA	NA
+PJ048977	CCDDDMH 	C29H43N9O14S3	837.2092	NA	PeJP	NA	NA
+PJ048978	DDDDDDE 	C29H39N7O22	837.2149	NA	PeJP	NA	NA
+PJ048979	SCCCEMY 	C31H47N7O12S4	837.2166	NA	PeJP	NA	NA
+PJ048980	GSCCCNDH 	C28H43N11O13S3	837.2204	NA	PeJP	NA	NA
+PJ048981	GPCCNDDD 	C29H43N9O16S2	837.227	NA	PeJP	NA	NA
+PJ048982	GCCDDYY 	C34H43N7O14S2	837.231	NA	PeJP	NA	NA
+PJ048983	PCCCCFY 	C35H47N7O9S4	837.2318	NA	PeJP	NA	NA
+PJ048984	GCCMMMY 	C32H51N7O9S5	837.2352	NA	PeJP	NA	NA
+PJ048985	CCCNQMH 	C29H47N11O10S4	837.239	NA	PeJP	NA	NA
+PJ048986	GGCCCQMH 	C29H47N11O10S4	837.2391	NA	PeJP	NA	NA
+PJ048987	NNDDDDM 	C29H43N9O18S	837.2447	NA	PeJP	NA	NA
+PJ048988	SCDDMMH 	C30H47N9O13S3	837.2456	NA	PeJP	NA	NA
+PJ048989	SPCCCYY 	C35H47N7O11S3	837.2496	NA	PeJP	NA	NA
+PJ048990	CCCCNHR 	C28H47N13O9S4	837.2503	NA	PeJP	NA	NA
+PJ048991	SDDDEEE 	C30H43N7O21	837.2512	NA	PeJP	NA	NA
+PJ048992	PDDDDMM 	C31H47N7O16S2	837.2521	NA	PeJP	NA	NA
+PJ048993	STCCMMY 	C32H51N7O11S4	837.253	NA	PeJP	NA	NA
+PJ048994	GSCNNNDD 	C28H43N11O17S	837.2559	NA	PeJP	NA	NA
+PJ048995	GGGSCNNDD 	C28H43N11O17S	837.256	NA	PeJP	NA	NA
+PJ048996	GSSCCNMH 	C29H47N11O12S3	837.2568	NA	PeJP	NA	NA
+PJ048997	GCNDDEW 	C33H43N9O15S	837.26	NA	PeJP	NA	NA
+PJ048998	PCCCEHF 	C34H47N9O10S3	837.2608	NA	PeJP	NA	NA
+PJ048999	GSSNDDDE 	C29H43N9O20	837.2625	NA	PeJP	NA	NA
+PJ049000	GSPCNDDM 	C30H47N9O15S2	837.2633	NA	PeJP	NA	NA
+PJ049001	GGGSPCDDM 	C30H47N9O15S2	837.2634	NA	PeJP	NA	NA
+PJ049002	GCEMMMH 	C31H51N9O10S4	837.2642	NA	PeJP	NA	NA
+PJ049003	SCCDHHH 	C31H43N13O11S2	837.2647	NA	PeJP	NA	NA
+PJ049004	PDDDDDF 	C34H43N7O18	837.2665	NA	PeJP	NA	NA
+PJ049005	GSCDMYY 	C35H47N7O13S2	837.2674	NA	PeJP	NA	NA
+PJ049006	GCCMMFF 	C36H51N7O8S4	837.2682	NA	PeJP	NA	NA
+PJ049007	GDEEEEM 	C31H47N7O18S	837.2699	NA	PeJP	NA	NA
+PJ049008	PCDDDHH 	C32H43N11O14S	837.2712	NA	PeJP	NA	NA
+MJ095871	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2,8-Tris(3-pyridinecarbonyl), 9-benzoyl, 6,14-di-Ac 	C44H43N3O14	837.274503	NA	MeJP	NA	NA
+MJ095872	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 2,6,8-Tris(3-pyridinecarbonyl), 9-benzoyl, 1,14-di-Ac 	C44H43N3O14	837.274503	NA	MeJP	NA	NA
+PJ049009	SSSSCCQH 	C29H47N11O14S2	837.2746	NA	PeJP	NA	NA
+PJ049010	CNDDWW 	C37H43N9O12S	837.2752	NA	PeJP	NA	NA
+PJ049011	CCCNKMH 	C30H51N11O9S4	837.2754	NA	PeJP	NA	NA
+PJ049012	GPPCCCCR 	C30H51N11O9S4	837.2755	NA	PeJP	NA	NA
+PJ049013	SSNDDDW 	C33H43N9O17	837.2777	NA	PeJP	NA	NA
+PJ049014	SPCCNEW 	C34H47N9O12S2	837.2786	NA	PeJP	NA	NA
+PJ049015	CMMMHW 	C35H51N9O7S4	837.2795	NA	PeJP	NA	NA
+PJ049016	SNNDEEM 	C30H47N9O17S	837.2811	NA	PeJP	NA	NA
+PJ049017	SSDMMMH 	C31H51N9O12S3	837.282	NA	PeJP	NA	NA
+PJ049018	TCCYYW 	C39H47N7O10S2	837.2826	NA	PeJP	NA	NA
+PJ049019	ACCMHHH 	C32H47N13O8S3	837.2833	NA	PeJP	NA	NA
+PJ049020	DEEEMW 	C35H47N7O15S	837.2851	NA	PeJP	NA	NA
+PJ049021	CCNNNDR 	C28H47N13O13S2	837.2858	NA	PeJP	NA	NA
+PJ049022	CQMMYY 	C36H51N7O10S3	837.286	NA	PeJP	NA	NA
+PJ049023	SSEEEEE 	C31H47N7O20	837.2876	NA	PeJP	NA	NA
+PJ049024	SPDEEMM 	C32H51N7O15S2	837.2885	NA	PeJP	NA	NA
+PJ049025	GDDEEHH 	C32H43N11O16	837.289	NA	PeJP	NA	NA
+PJ049026	PPCEMMM 	C33H55N7O10S4	837.2894	NA	PeJP	NA	NA
+PJ049027	GCNNNMW 	C33H47N11O11S2	837.2898	NA	PeJP	NA	NA
+PJ049028	GGGGGGGCMW 	C33H47N11O11S2	837.2899	NA	PeJP	NA	NA
+PJ049029	SCNDDER 	C29H47N11O16S	837.2923	NA	PeJP	NA	NA
+PJ049030	GGGGGGGSSDM 	C29H47N11O16S	837.2924	NA	PeJP	NA	NA
+PJ049031	PCCNDMR 	C30H51N11O11S3	837.2932	NA	PeJP	NA	NA
+PJ049032	GSPCCWW 	C38H47N9O9S2	837.2939	NA	PeJP	NA	NA
+PJ049033	GTCDQEW 	C34H47N9O14S	837.2963	NA	PeJP	NA	NA
+PJ049034	GSNDEMW 	C34H47N9O14S	837.2964	NA	PeJP	NA	NA
+PJ049035	GPCNMMW 	C35H51N9O9S3	837.2972	NA	PeJP	NA	NA
+PJ049036	ASSSNDEE 	C30H47N9O19	837.2988	NA	PeJP	NA	NA
+PJ049037	GSSSNEEE 	C30H47N9O19	837.2989	NA	PeJP	NA	NA
+PJ049038	GNQEEMM 	C31H51N9O14S2	837.2997	NA	PeJP	NA	NA
+PJ049039	SNNDDHH 	C31H43N13O15	837.3002	NA	PeJP	NA	NA
+PJ049040	CNEFYY 	C39H47N7O12S	837.3004	NA	PeJP	NA	NA
+PJ049041	GTMMMMH 	C32H55N9O9S4	837.3006	NA	PeJP	NA	NA
+PJ049042	SSCMHHH 	C32H47N13O10S2	837.3011	NA	PeJP	NA	NA
+PJ049043	GPDEEEY 	C35H47N7O17	837.3029	NA	PeJP	NA	NA
+PJ049044	GSSMMYY 	C36H51N7O12S2	837.3037	NA	PeJP	NA	NA
+PJ049045	DDEHHW 	C36H43N11O13	837.3042	NA	PeJP	NA	NA
+PJ049046	ATEEEEM 	C32H51N7O17S	837.3062	NA	PeJP	NA	NA
+PJ049047	APEEMMM 	C33H55N7O12S3	837.3071	NA	PeJP	NA	NA
+PJ049048	GSCDDRW 	C33H47N11O13S	837.3076	NA	PeJP	NA	NA
+PJ049049	APCCCRW 	C34H51N11O8S3	837.3085	NA	PeJP	NA	NA
+PJ049050	GSSSDDDR 	C29H47N11O18	837.3101	NA	PeJP	NA	NA
+PJ049051	SSSSCCKH 	C30H51N11O13S2	837.3109	NA	PeJP	NA	NA
+PJ049052	GNDDMMR 	C30H51N11O13S2	837.311	NA	PeJP	NA	NA
+PJ049053	SNDMWW 	C38H47N9O11S	837.3116	NA	PeJP	NA	NA
+PJ049054	SSSNEEW 	C34H47N9O16	837.3141	NA	PeJP	NA	NA
+PJ049055	NQEMMW 	C35H51N9O11S2	837.315	NA	PeJP	NA	NA
+PJ049056	GCFYYW 	C43H47N7O9S	837.3156	NA	PeJP	NA	NA
+PJ049057	SSQQEEM 	C31H51N9O16S	837.3175	NA	PeJP	NA	NA
+PJ049058	PDEEYW 	C39H47N7O14	837.3181	NA	PeJP	NA	NA
+PJ049059	STTMMMH 	C32H55N9O11S3	837.3183	NA	PeJP	NA	NA
+PJ049060	GGSPQMMM 	C32H55N9O11S3	837.3184	NA	PeJP	NA	NA
+PJ049061	GNNEMHH 	C32H47N13O12S	837.3188	NA	PeJP	NA	NA
+PJ049062	CQMFFY 	C40H51N7O9S2	837.319	NA	PeJP	NA	NA
+MJ095873	Sulfurmycin B 	C43H51NO16	837.320784	NA	MeJP	NA	NA
+MJ095874	Sulfurmycin Y 	C43H51NO16	837.320784	NA	MeJP	NA	NA
+PJ049063	SSSTMYY 	C36H51N7O14S	837.3215	NA	PeJP	NA	NA
+PJ049064	GCCDERR 	C29H51N13O12S2	837.3222	NA	PeJP	NA	NA
+PJ049065	CKMMYY 	C37H55N7O9S3	837.3224	NA	PeJP	NA	NA
+PJ049066	GCNNHFF 	C37H47N11O10S	837.3228	NA	PeJP	NA	NA
+PJ049067	GGGCNHFF 	C37H47N11O10S	837.3229	NA	PeJP	NA	NA
+PJ049068	TTTEEEE 	C32H51N7O19	837.324	NA	PeJP	NA	NA
+MJ095875	Wedeloside; 4'-O-Sulfate 	C40H55NO16S	837.324155	NA	MeJP	NA	NA
+PJ049069	GLEEEMM 	C33H55N7O14S2	837.3249	NA	PeJP	NA	NA
+PJ049070	GSSSSNNW 	C33H47N11O15	837.3253	NA	PeJP	NA	NA
+PJ049071	GGGGGSSSSW 	C33H47N11O15	837.3254	NA	PeJP	NA	NA
+PJ049072	PPTMMMM 	C34H59N7O9S4	837.3257	NA	PeJP	NA	NA
+PJ049073	CNEMRW 	C34H51N11O10S2	837.3262	NA	PeJP	NA	NA
+PJ049074	GTCWWW 	C42H47N9O8S	837.3269	NA	PeJP	NA	NA
+PJ049075	SSNDEMR 	C30H51N11O15S	837.3287	NA	PeJP	NA	NA
+PJ049076	GSSSEWW 	C38H47N9O13	837.3294	NA	PeJP	NA	NA
+PJ049077	SPCNMMR 	C31H55N11O10S3	837.3296	NA	PeJP	NA	NA
+PJ049078	GCNDHHR 	C31H47N15O11S	837.3301	NA	PeJP	NA	NA
+PJ049079	GQMMWW 	C39H51N9O8S2	837.3302	NA	PeJP	NA	NA
+PJ049080	GSTQEMW 	C35H51N9O13S	837.3327	NA	PeJP	NA	NA
+PJ049081	GGGGAPEMY 	C35H51N9O13S	837.3328	NA	PeJP	NA	NA
+PJ049082	GSYYYW 	C43H47N7O11	837.3334	NA	PeJP	NA	NA
+PJ049083	APCCKMW 	C36H55N9O8S3	837.3336	NA	PeJP	NA	NA
+PJ049084	NNMHHW 	C36H47N13O9S	837.3341	NA	PeJP	NA	NA
+PJ049085	GSSSDKEE 	C31H51N9O18	837.3352	NA	PeJP	NA	NA
+PJ049086	GNKEEMM 	C32H55N9O13S2	837.3361	NA	PeJP	NA	NA
+PJ049087	SSNQEHH 	C32H47N13O14	837.3366	NA	PeJP	NA	NA
+PJ049088	AQMYYY 	C40H51N7O11S	837.3367	NA	PeJP	NA	NA
+PJ049089	PEEMFW 	C40H51N7O11S	837.3368	NA	PeJP	NA	NA
+PJ049090	PCCNKHH 	C33H51N13O9S2	837.3374	NA	PeJP	NA	NA
+PJ049091	CCDRRW 	C33H51N13O9S2	837.3375	NA	PeJP	NA	NA
+PJ049092	APTEEEY 	C36H51N7O16	837.3393	NA	PeJP	NA	NA
+PJ049093	SSCDDRR 	C29H51N13O14S	837.3399	NA	PeJP	NA	NA
+PJ049094	GGGSSTCNR 	C29H51N13O14S	837.34	NA	PeJP	NA	NA
+PJ049095	LEEMMW 	C37H55N7O11S2	837.3401	NA	PeJP	NA	NA
+PJ049096	NNNQYW 	C37H47N11O12	837.3406	NA	PeJP	NA	NA
+PJ049097	PTCCCRR 	C30H55N13O9S3	837.3408	NA	PeJP	NA	NA
+PJ049098	GCMRWW 	C38H51N11O7S2	837.3415	NA	PeJP	NA	NA
+PJ049099	STLEEEM 	C33H55N7O16S	837.3426	NA	PeJP	NA	NA
+PJ049100	SPLEMMM 	C34H59N7O11S3	837.3435	NA	PeJP	NA	NA
+PJ049101	GSSDMRW 	C34H51N11O12S	837.344	NA	PeJP	NA	NA
+PJ049102	SSSWWW 	C42H47N9O10	837.3446	NA	PeJP	NA	NA
+PJ049103	APCHHHH 	C35H47N15O8S	837.3453	NA	PeJP	NA	NA
+PJ049104	GSSSSEER 	C30H51N11O17	837.3465	NA	PeJP	NA	NA
+PJ049105	GSQEMMR 	C31H55N11O12S2	837.3473	NA	PeJP	NA	NA
+PJ049106	GGGTEMMR 	C31H55N11O12S2	837.3474	NA	PeJP	NA	NA
+PJ049107	STQMWW 	C39H51N9O10S	837.348	NA	PeJP	NA	NA
+PJ049108	SSSDKEW 	C35H51N9O15	837.3505	NA	PeJP	NA	NA
+PJ049109	NKEMMW 	C36H55N9O10S2	837.3514	NA	PeJP	NA	NA
+PJ049110	GSSQHHW 	C36H47N13O11	837.3518	NA	PeJP	NA	NA
+PJ049111	GGGGGPNHW 	C36H47N13O11	837.3519	NA	PeJP	NA	NA
+PJ049112	CQFFFF 	C44H51N7O8S	837.352	NA	PeJP	NA	NA
+PJ049113	SSQKEEM 	C32H55N9O15S	837.3539	NA	PeJP	NA	NA
+PJ049114	VEEEFW 	C40H51N7O13	837.3545	NA	PeJP	NA	NA
+PJ049115	SPNKMMM 	C33H59N9O10S3	837.3547	NA	PeJP	NA	NA
+PJ049116	GGGAALMMM 	C33H59N9O10S3	837.3548	NA	PeJP	NA	NA
+PJ049117	GCNNQFR 	C33H51N13O11S	837.3552	NA	PeJP	NA	NA
+PJ049118	CKMFFY 	C41H55N7O8S2	837.3554	NA	PeJP	NA	NA
+PJ049119	PDHHFW 	C41H47N11O9	837.3559	NA	PeJP	NA	NA
+PJ049120	SSSSSNNR 	C29H51N13O16	837.3577	NA	PeJP	NA	NA
+PJ049121	GPLEEMY 	C37H55N7O13S	837.3579	NA	PeJP	NA	NA
+PJ049122	GSCEMRR 	C30H55N13O11S2	837.3586	NA	PeJP	NA	NA
+PJ049123	PPCLMMF 	C38H59N7O8S3	837.3588	NA	PeJP	NA	NA
+PJ049124	STCRWW 	C38H51N11O9S	837.3592	NA	PeJP	NA	NA
+PJ049125	NFWWW 	C46H47N9O7	837.3599	NA	PeJP	NA	NA
+PJ049126	SVLEEMM 	C34H59N7O13S2	837.3613	NA	PeJP	NA	NA
+PJ049127	SSSSERW 	C34H51N11O14	837.3617	NA	PeJP	NA	NA
+PJ049128	GGGGGGGKEY 	C34H51N11O14	837.3618	NA	PeJP	NA	NA
+PJ049129	PVVMMMM 	C35H63N7O8S4	837.3621	NA	PeJP	NA	NA
+PJ049130	SQMMRW 	C35H55N11O9S2	837.3626	NA	PeJP	NA	NA
+PJ049131	AAEHHHH 	C35H47N15O10	837.3631	NA	PeJP	NA	NA
+PJ049132	AMHFFW 	C43H51N9O7S	837.3633	NA	PeJP	NA	NA
+PJ049133	SSTQEMR 	C31H55N11O14S	837.3651	NA	PeJP	NA	NA
+PJ049134	GSTTTWW 	C39H51N9O12	837.3657	NA	PeJP	NA	NA
+PJ049135	GGGGLEYW 	C39H51N9O12	837.3658	NA	PeJP	NA	NA
+PJ049136	AAQMMMR 	C32H59N11O9S3	837.366	NA	PeJP	NA	NA
+PJ049137	GSNMHHR 	C32H51N15O10S	837.3664	NA	PeJP	NA	NA
+PJ049138	GGGSMHHR 	C32H51N15O10S	837.3665	NA	PeJP	NA	NA
+PJ049139	GKMMWW 	C40H55N9O7S2	837.3666	NA	PeJP	NA	NA
+PJ049140	NHHHFF 	C40H47N13O8	837.3671	NA	PeJP	NA	NA
+PJ049141	GSTKEMW 	C36H55N9O12S	837.3691	NA	PeJP	NA	NA
+PJ049142	PPEFYW 	C44H51N7O10	837.3698	NA	PeJP	NA	NA
+PJ049143	CQKHHW 	C37H51N13O8S	837.3705	NA	PeJP	NA	NA
+PJ049144	GSSTTKEE 	C32H55N9O17	837.3716	NA	PeJP	NA	NA
+PJ049145	GDKKEMM 	C33H59N9O12S2	837.3725	NA	PeJP	NA	NA
+PJ049146	GTNNNRY 	C33H51N13O13	837.3729	NA	PeJP	NA	NA
+PJ049147	NDDRRY 	C33H51N13O13	837.373	NA	PeJP	NA	NA
+PJ049148	PLEMYW 	C41H55N7O10S	837.3731	NA	PeJP	NA	NA
+PJ049149	PPVCEFF 	C41H55N7O10S	837.3732	NA	PeJP	NA	NA
+PJ049150	SCMRRW 	C34H55N13O8S2	837.3738	NA	PeJP	NA	NA
+PJ049151	DHHHHR 	C34H47N17O9	837.3743	NA	PeJP	NA	NA
+PJ049152	GVLEEEY 	C37H55N7O15	837.3756	NA	PeJP	NA	NA
+MJ095876	Formestin A 	C37H55N7O15	837.375614	NA	MeJP	NA	NA
+PJ049153	SSSDMRR 	C30H55N13O13S	837.3763	NA	PeJP	NA	NA
+PJ049154	SPPLMMY 	C38H59N7O10S2	837.3765	NA	PeJP	NA	NA
+PJ049155	GQERYW 	C38H51N11O11	837.377	NA	PeJP	NA	NA
+PJ049156	NMMMRR 	C31H59N13O8S3	837.3772	NA	PeJP	NA	NA
+PJ049157	ALLEMMM 	C35H63N7O10S3	837.3799	NA	PeJP	NA	NA
+PJ049158	GSTTMRW 	C35H55N11O11S	837.3803	NA	PeJP	NA	NA
+PJ049159	GSPQMRY 	C35H55N11O11S	837.3804	NA	PeJP	NA	NA
+PJ049160	GVQYWW 	C43H51N9O9	837.381	NA	PeJP	NA	NA
+PJ049161	ASSSTTER 	C31H55N11O16	837.3828	NA	PeJP	NA	NA
+PJ049162	GSSTTTER 	C31H55N11O16	837.3829	NA	PeJP	NA	NA
+PJ049163	GSKEMMR 	C32H59N11O11S2	837.3837	NA	PeJP	NA	NA
+PJ049164	SSSQHHR 	C32H51N15O12	837.3842	NA	PeJP	NA	NA
+PJ049165	STKMWW 	C40H55N9O9S	837.3844	NA	PeJP	NA	NA
+PJ049166	SSTTKEW 	C36H55N9O14	837.3869	NA	PeJP	NA	NA
+PJ049167	DKKMMW 	C37H59N9O9S2	837.3877	NA	PeJP	NA	NA
+PJ049168	AATKMMW 	C37H59N9O9S2	837.3878	NA	PeJP	NA	NA
+PJ049169	PNEHRW 	C37H51N13O10	837.3882	NA	PeJP	NA	NA
+PJ049170	CKFFFF 	C45H55N7O7S	837.3884	NA	PeJP	NA	NA
+PJ049171	SSKKEEM 	C33H59N9O14S	837.3902	NA	PeJP	NA	NA
+PJ049172	AASTTKEM 	C33H59N9O14S	837.3903	NA	PeJP	NA	NA
+PJ049173	VLEEYW 	C41H55N7O12	837.3909	NA	PeJP	NA	NA
+PJ049174	GLQKMMM 	C34H63N9O9S3	837.3911	NA	PeJP	NA	NA
+PJ049175	GSPCRRY 	C34H55N13O10S	837.3916	NA	PeJP	NA	NA
+PJ049176	QRYWW 	C42H51N11O8	837.3922	NA	PeJP	NA	NA
+PJ049177	GGPVHWW 	C42H51N11O8	837.3923	NA	PeJP	NA	NA
+PJ049178	SPVLEMY 	C38H59N7O12S	837.3943	NA	PeJP	NA	NA
+PJ049179	GSTMMRR 	C31H59N13O10S2	837.395	NA	PeJP	NA	NA
+PJ049180	AQMFRW 	C39H55N11O8S	837.3956	NA	PeJP	NA	NA
+PJ049181	TTLLEMM 	C35H63N7O12S2	837.3976	NA	PeJP	NA	NA
+PJ049182	SSTTTRW 	C35H55N11O13	837.3981	NA	PeJP	NA	NA
+PJ049183	SKMMRW 	C36H59N11O8S2	837.399	NA	PeJP	NA	NA
+PJ049184	NQHHFR 	C36H51N15O9	837.3995	NA	PeJP	NA	NA
+PJ049185	SSTKEMR 	C32H59N11O13S	837.4015	NA	PeJP	NA	NA
+PJ049186	VNKEYW 	C40H55N9O11	837.4021	NA	PeJP	NA	NA
+PJ049187	AAAPPPEW 	C40H55N9O11	837.4022	NA	PeJP	NA	NA
+PJ049188	AAKMMMR 	C33H63N11O8S3	837.4024	NA	PeJP	NA	NA
+PJ049189	GTCKHHR 	C33H55N15O9S	837.4028	NA	PeJP	NA	NA
+PJ049190	GPHRWW 	C41H51N13O7	837.4035	NA	PeJP	NA	NA
+PJ049191	SSSLKMW 	C37H59N9O11S	837.4055	NA	PeJP	NA	NA
+PJ049192	PPLYYW 	C45H55N7O9	837.4062	NA	PeJP	NA	NA
+PJ049193	ACFRRW 	C38H55N13O7S	837.4069	NA	PeJP	NA	NA
+PJ049194	SSSSTLKE 	C33H59N9O16	837.408	NA	PeJP	NA	NA
+PJ049195	ATKKEMM 	C34H63N9O11S2	837.4089	NA	PeJP	NA	NA
+PJ049196	SQERRY 	C34H55N13O12	837.4093	NA	PeJP	NA	NA
+PJ049197	GGTERRY 	C34H55N13O12	837.4094	NA	PeJP	NA	NA
+PJ049198	LLEMFW 	C42H59N7O9S	837.4095	NA	PeJP	NA	NA
+PJ049199	ATLLEEY 	C38H59N7O14	837.412	NA	PeJP	NA	NA
+PJ049200	SSTTMRR 	C31H59N13O12S	837.4127	NA	PeJP	NA	NA
+PJ049201	APLLMMY 	C39H63N7O9S2	837.4129	NA	PeJP	NA	NA
+PJ049202	GKERYW 	C39H55N11O10	837.4134	NA	PeJP	NA	NA
+PJ049203	SLLLMMM 	C36H67N7O9S3	837.4163	NA	PeJP	NA	NA
+PJ049204	GSPKMRY 	C36H59N11O10S	837.4167	NA	PeJP	NA	NA
+PJ049205	GGAALMRY 	C36H59N11O10S	837.4168	NA	PeJP	NA	NA
+PJ049206	GVKYWW 	C44H55N9O8	837.4174	NA	PeJP	NA	NA
+PJ049207	SSSSTTLR 	C32H59N11O15	837.4192	NA	PeJP	NA	NA
+PJ049208	ATTKMMR 	C33H63N11O10S2	837.4201	NA	PeJP	NA	NA
+PJ049209	GSPEHRR 	C33H55N15O11	837.4206	NA	PeJP	NA	NA
+PJ049210	VQKMFW 	C41H59N9O8S	837.4208	NA	PeJP	NA	NA
+PJ049211	TTTTTKW 	C37H59N9O13	837.4232	NA	PeJP	NA	NA
+PJ049212	AAKKEEY 	C37H59N9O13	837.4233	NA	PeJP	NA	NA
+PJ049213	GPKKMMF 	C38H63N9O8S2	837.4241	NA	PeJP	NA	NA
+PJ049214	GTRRYW 	C38H55N13O9	837.4246	NA	PeJP	NA	NA
+PJ049215	TTTKKEM 	C34H63N9O13S	837.4266	NA	PeJP	NA	NA
+PJ049216	SPPVLYY 	C42H59N7O11	837.4273	NA	PeJP	NA	NA
+PJ049217	GLKKMMM 	C35H67N9O8S3	837.4275	NA	PeJP	NA	NA
+PJ049218	VNMRRY 	C35H59N13O9S	837.428	NA	PeJP	NA	NA
+PJ049219	KRYWW 	C43H55N11O7	837.4286	NA	PeJP	NA	NA
+PJ049220	PTTILMY 	C39H63N7O11S	837.4306	NA	PeJP	NA	NA
+PJ049221	GLLLEMY 	C39H63N7O11S	837.4307	NA	PeJP	NA	NA
+PJ049222	NQQHRR 	C32H55N17O10	837.4318	NA	PeJP	NA	NA
+PJ049223	AKMFRW 	C40H59N11O7S	837.432	NA	PeJP	NA	NA
+PJ049224	DKKERY 	C36H59N11O12	837.4345	NA	PeJP	NA	NA
+PJ049225	SPHRRW 	C37H55N15O8	837.4358	NA	PeJP	NA	NA
+PJ049226	GGKHHFR 	C37H55N15O8	837.4359	NA	PeJP	NA	NA
+PJ049227	TTTTKMR 	C33H63N11O12S	837.4379	NA	PeJP	NA	NA
+PJ049228	VDKKYW 	C41H59N9O10	837.4385	NA	PeJP	NA	NA
+PJ049229	GMRRRY 	C34H59N15O8S	837.4392	NA	PeJP	NA	NA
+MJ095877	Cyclosquamosin B 	C38H63N9O10S	837.441859	NA	MeJP	NA	NA
+PJ049230	APTKKMY 	C38H63N9O10S	837.4419	NA	PeJP	NA	NA
+PJ049231	PLLFYW 	C46H59N7O8	837.4425	NA	PeJP	NA	NA
+PJ049232	SSTTTTLK 	C34H63N9O15	837.4444	NA	PeJP	NA	NA
+PJ049233	STLKKMM 	C35H67N9O10S2	837.4453	NA	PeJP	NA	NA
+PJ049234	SKERRY 	C35H59N13O11	837.4457	NA	PeJP	NA	NA
+PJ049235	GGGLLEHR 	C35H59N13O11	837.4458	NA	PeJP	NA	NA
+MJ095878	Trunkamide A 	C43H63N7O8S	837.445882	NA	MeJP	NA	NA
+PJ049236	LLLMYW 	C43H63N7O8S	837.4459	NA	PeJP	NA	NA
+PJ049237	STLLLEY 	C39H63N7O13	837.4484	NA	PeJP	NA	NA
+PJ049238	ALLLMMF 	C40H67N7O8S2	837.4493	NA	PeJP	NA	NA
+PJ049239	SVKRYW 	C40H59N11O9	837.4498	NA	PeJP	NA	NA
+PJ049240	LQKMRY 	C37H63N11O9S	837.4531	NA	PeJP	NA	NA
+PJ049241	LKHFFF 	C45H59N9O7	837.4538	NA	PeJP	NA	NA
+PJ049242	SSSSSKKK 	C33H63N11O14	837.4556	NA	PeJP	NA	NA
+PJ049243	TCCKKKK 	C34H67N11O9S2	837.4565	NA	PeJP	NA	NA
+PJ049244	STRRRY 	C34H59N15O10	837.457	NA	PeJP	NA	NA
+PJ049245	VKKMFW 	C42H63N9O7S	837.4572	NA	PeJP	NA	NA
+PJ049246	GTLKKEY 	C38H63N9O12	837.4596	NA	PeJP	NA	NA
+PJ049247	GGSTLLKY 	C38H63N9O12	837.4597	NA	PeJP	NA	NA
+PJ049248	VLQHRW 	C39H59N13O8	837.461	NA	PeJP	NA	NA
+PJ049249	GPLLLYY 	C43H63N7O10	837.4637	NA	PeJP	NA	NA
+PJ049250	CLKRRY 	C36H63N13O8S	837.4644	NA	PeJP	NA	NA
+C15730	Chivosazole C	C47H67NO12	837.4663	NA	KEGG	NA	NA
+C15731	Chivosazole D	C47H67NO12	837.4663	NA	KEGG	NA	NA
+MJ095879	Chivosazole E; 20-Me ether 	C47H67NO12	837.466326	NA	MeJP	NA	NA
+MJ095880	Chivosazole E; 3'-Me ether 	C47H67NO12	837.466326	NA	MeJP	NA	NA
+PJ049251	SVLLLMY 	C40H67N7O10S	837.467	NA	PeJP	NA	NA
+PJ049252	VDHRRR 	C33H59N17O9	837.4682	NA	PeJP	NA	NA
+PJ049253	GTTLKRY 	C37H63N11O11	837.4709	NA	PeJP	NA	NA
+PJ049254	ALHRRW 	C38H59N15O7	837.4722	NA	PeJP	NA	NA
+PJ049255	TLKKYW 	C42H63N9O9	837.4749	NA	PeJP	NA	NA
+PJ049256	GVLKKMY 	C39H67N9O9S	837.4783	NA	PeJP	NA	NA
+PJ049257	LLLFFW 	C47H63N7O7	837.4789	NA	PeJP	NA	NA
+PJ049258	APPLERR 	C36H63N13O10	837.4821	NA	PeJP	NA	NA
+PJ049259	GPPLLRW 	C41H63N11O8	837.4861	NA	PeJP	NA	NA
+MJ095881	Concanamycin E 	C44H71NO14	837.487455	NA	MeJP	NA	NA
+PJ049260	LKKMRY 	C38H67N11O8S	837.4895	NA	PeJP	NA	NA
+PJ049261	LKEHRR 	C35H63N15O9	837.4934	NA	PeJP	NA	NA
+PJ049262	SSLLKKY 	C39H67N9O11	837.496	NA	PeJP	NA	NA
+PJ049263	GPPVVLKE 	C39H67N9O11	837.4961	NA	PeJP	NA	NA
+PJ049264	VLKHRW 	C40H63N13O7	837.4974	NA	PeJP	NA	NA
+PJ049265	GLLLLFY 	C44H67N7O9	837.5001	NA	PeJP	NA	NA
+PJ049266	TLHRRR 	C34H63N17O8	837.5046	NA	PeJP	NA	NA
+PJ049267	GSKKKKY 	C38H67N11O10	837.5073	NA	PeJP	NA	NA
+PJ049268	PPVVLKW 	C43H67N9O8	837.5113	NA	PeJP	NA	NA
+PJ049269	VLLLLMH 	C40H71N9O8S	837.5147	NA	PeJP	NA	NA
+PJ049270	SPPLLRR 	C37H67N13O9	837.5185	NA	PeJP	NA	NA
+PJ049271	LKKFFR 	C42H67N11O7	837.5225	NA	PeJP	NA	NA
+PJ049272	GPPKKRR 	C36H67N15O8	837.5297	NA	PeJP	NA	NA
+HMDB09639	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H76NO8P	837.530884	NA	HMDB2010	NA	NA
+HMDB09672	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H76NO8P	837.530884	NA	HMDB2010	NA	NA
+HMDB09703	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C49H76NO8P	837.530884	NA	HMDB2010	NA	NA
+HMDB09704	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C49H76NO8P	837.530884	NA	HMDB2010	NA	NA
+PJ049273	GPPTLLLK 	C40H71N9O10	837.5324	NA	PeJP	NA	NA
+PJ049274	PVLLLQR 	C39H71N11O9	837.5437	NA	PeJP	NA	NA
+HMDB10166	PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C46H80NO10P	837.552002	NA	HMDB2010	NA	NA
+PJ049275	APLLLRR 	C38H71N13O8	837.5549	NA	PeJP	NA	NA
+PJ049276	AAPLLLLK 	C41H75N9O9	837.5688	NA	PeJP	NA	NA
+PJ049277	PVLLLKR 	C40H75N11O8	837.58	NA	PeJP	NA	NA
+HMDB08054	PC(18:0/22:4(7Z,10Z,13Z,16Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08152	PC(18:2(9Z,12Z)/22:2(13Z,16Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08184	PC(18:3(6Z,9Z,12Z)/22:1(13Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08217	PC(18:3(9Z,12Z,15Z)/22:1(13Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08249	PC(18:4(6Z,9Z,12Z,15Z)/22:0)	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08279	PC(20:0/20:4(5Z,8Z,11Z,14Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08280	PC(20:0/20:4(8Z,11Z,14Z,17Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08310	PC(20:1(11Z)/20:3(5Z,8Z,11Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08311	PC(20:1(11Z)/20:3(8Z,11Z,14Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08342	PC(20:2(11Z,14Z)/20:2(11Z,14Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08374	PC(20:3(5Z,8Z,11Z)/20:1(11Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08438	PC(20:4(5Z,8Z,11Z,14Z)/20:0)	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08471	PC(20:4(8Z,11Z,14Z,17Z)/20:0)	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08536	PC(22:0/18:4(6Z,9Z,12Z,15Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08566	PC(22:1(13Z)/18:3(6Z,9Z,12Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08567	PC(22:1(13Z)/18:3(9Z,12Z,15Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08598	PC(22:2(13Z,16Z)/18:2(9Z,12Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB08628	PC(22:4(7Z,10Z,13Z,16Z)/18:0)	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+HMDB11201	PC(20:3(8Z,11Z,14Z)/20:1(11Z))	C48H88NO8P	837.624756	NA	HMDB2010	NA	NA
+MJ095882	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside 	C49H91NO9	837.669383	NA	MeJP	NA	NA
+EUR1115	SM(d18:1/24:0) [M+Na]+	C47H96N2O6P	837.682547	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1115	SM(d18:1/24:0) [M+Na]+	C47H96N2O6P	837.682547	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1115	SM(d18:1/24:0) [M+Na]+	C47H96N2O6P	837.682547	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1115	SM(d18:1/24:0) [M+Na]+	C47H96N2O6P	837.682547	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1134	SM(d18:1/26:3) monoisotopic mass 	C49H94N2O6P	837.684951	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1134	SM(d18:1/26:3) monoisotopic mass 	C49H94N2O6P	837.684951	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1134	SM(d18:1/26:3) monoisotopic mass 	C49H94N2O6P	837.684951	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1134	SM(d18:1/26:3) monoisotopic mass 	C49H94N2O6P	837.684951	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB04976	Glucosylceramide (d18:1/26:1(17Z))	C50H95NO8	837.70575	http://www.hmdb.ca/metabolites/HMDB04976	HMDB	NA	NA
+HMDB04976	Glucosylceramide (d18:1/26:1(17Z))	C50H95NO8	837.70575	HMDB04976	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04976	Glucosylceramide (d18:1/26:1(17Z))	C50H95NO8	837.70575	NA	HMDB2010	NA	NA
+HMDB10713	Galactosylceramide (d18:1/26:1(17Z))	C50H95NO8	837.70575	NA	HMDB2010	NA	NA
+MJ095883	Meralein 	C19H10HgI2O7S	837.794285	NA	MeJP	NA	NA
+PJ049278	SCCCCCCD 	C25H42N8O12S6	838.1247	NA	PeJP	NA	NA
+PJ049279	ACCCCCCM 	C26H46N8O9S7	838.1433	NA	PeJP	NA	NA
+C02335	beta-Alanyl-CoA	C24H41N8O17P3S	838.1523	NA	KEGG	NA	NA
+MJ095884	beta-Alanyl-CoA 	C24H41N8O17P3S	838.152322	NA	MeJP	NA	NA
+MetaCyc04170	&beta;-alanyl-CoA [&beta;-alanyl-CoA;]	C24H41N8O17P3S1	838.152322	NA	metacyc	NA	NA
+HMDB06805	beta-Alanyl-CoA	C24H41N8O17P3S	838.15234	http://www.hmdb.ca/metabolites/HMDB06805	HMDB	NA	NA
+HMDB06805	beta-Alanyl-CoA	C24H41N8O17P3S	838.15234	HMDB06805	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06805	Beta-Alanyl-CoA	C24H41N8O17P3S	838.152344	NA	HMDB2010	NA	NA
+PJ049280	SSCCCCCM 	C26H46N8O11S6	838.1611	NA	PeJP	NA	NA
+PJ049281	CCCCNMY 	C30H46N8O10S5	838.1941	NA	PeJP	NA	NA
+MJ095885	Ustilaginoidin A, 8,8'-Di-O-?-D-glucopyranoside 	C40H38O20	838.195643	NA	MeJP	NA	NA
+PJ049282	GSCCCDDH 	C28H42N10O14S3	838.2045	NA	PeJP	NA	NA
+PJ049283	APCCCCCH 	C29H46N10O9S5	838.2053	NA	PeJP	NA	NA
+PJ049284	GPCCDDDD 	C29H42N8O17S2	838.211	NA	PeJP	NA	NA
+PJ049285	GSTCCCCY 	C30H46N8O12S4	838.2118	NA	PeJP	NA	NA
+PJ049286	CCCNEMH 	C29H46N10O11S4	838.2231	NA	PeJP	NA	NA
+PJ049287	CCCCNFF 	C34H46N8O9S4	838.2271	NA	PeJP	NA	NA
+PJ049288	NDDDDDM 	C29H42N8O19S	838.2287	NA	PeJP	NA	NA
+PJ049289	SSSSCCCY 	C30H46N8O14S3	838.2296	NA	PeJP	NA	NA
+PJ049290	CCCCDHR 	C28H46N12O10S4	838.2343	NA	PeJP	NA	NA
+PJ049291	GCCCMHW 	C33H46N10O8S4	838.2383	NA	PeJP	NA	NA
+PJ049292	GSCNNDDD 	C28H42N10O18S	838.24	NA	PeJP	NA	NA
+PJ049293	GSSCCDMH 	C29H46N10O13S3	838.2408	NA	PeJP	NA	NA
+PJ049294	GGGGGPCCCE 	C29H46N10O13S3	838.2409	NA	PeJP	NA	NA
+PJ049295	GCDDDEW 	C33H42N8O16S	838.244	NA	PeJP	NA	NA
+PJ049296	GCCCQYY 	C34H46N8O11S3	838.2448	NA	PeJP	NA	NA
+PJ049297	GGACCCYY 	C34H46N8O11S3	838.2449	NA	PeJP	NA	NA
+PJ049298	GSSDDDDE 	C29H42N8O21	838.2465	NA	PeJP	NA	NA
+PJ049299	GSPCDDDM 	C30H46N8O16S2	838.2474	NA	PeJP	NA	NA
+PJ049300	GPPCCCEM 	C31H50N8O11S4	838.2482	NA	PeJP	NA	NA
+FL3FABGS0023	Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-glucosyl-(1->3)-(6''-acetylglucoside);7-[(O-4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->3)-6-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C38H46O21	838.25315	241478-30-8	knapsack	NA	NA
+MJ095886	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-6-O-acetyl-?-D-glucopyranoside] 	C38H46O21	838.253158	NA	MeJP	NA	NA
+PJ049301	STCCCHW 	C33H46N10O10S3	838.2561	NA	PeJP	NA	NA
+PJ049302	SSSSCCEH 	C29H46N10O15S2	838.2586	NA	PeJP	NA	NA
+PJ049303	CDDDWW 	C37H42N8O13S	838.2592	NA	PeJP	NA	NA
+PJ049304	SCCQMMH 	C30H50N10O10S4	838.2594	NA	PeJP	NA	NA
+PJ049305	GGTCCMMH 	C30H50N10O10S4	838.2595	NA	PeJP	NA	NA
+PJ049306	SSDDDDW 	C33H42N8O18	838.2617	NA	PeJP	NA	NA
+PJ049307	SPCCDEW 	C34H46N8O13S2	838.2626	NA	PeJP	NA	NA
+PJ049308	PPCCCMW 	C35H50N8O8S4	838.2635	NA	PeJP	NA	NA
+PJ049309	SNDDEEM 	C30H46N8O18S	838.2651	NA	PeJP	NA	NA
+PJ049310	PCNDEMM 	C31H50N8O13S3	838.266	NA	PeJP	NA	NA
+PJ049311	CCNNDDR 	C28H46N12O14S2	838.2698	NA	PeJP	NA	NA
+PJ049312	GGGGGGGGGTCC 	C28H46N12O14S2	838.2699	NA	PeJP	NA	NA
+PJ049313	CEMMYY 	C36H50N6O11S3	838.27	NA	PeJP	NA	NA
+PJ049314	SCCCMHR 	C29H50N12O9S4	838.2707	NA	PeJP	NA	NA
+PJ049315	GCNNDMW 	C33H46N10O12S2	838.2738	NA	PeJP	NA	NA
+PJ049316	GGGCNDMW 	C33H46N10O12S2	838.2739	NA	PeJP	NA	NA
+PJ049317	SCDDDER 	C29H46N10O17S	838.2763	NA	PeJP	NA	NA
+PJ049318	TCDDDDR 	C29H46N10O17S	838.2764	NA	PeJP	NA	NA
+PJ049319	PCCDDMR 	C30H50N10O12S3	838.2772	NA	PeJP	NA	NA
+PJ049320	GSDDEMW 	C34H46N8O15S	838.2804	NA	PeJP	NA	NA
+PJ049321	GPCDMMW 	C35H50N8O10S3	838.2812	NA	PeJP	NA	NA
+PJ049322	GSSSDEEE 	C30H46N8O20	838.2829	NA	PeJP	NA	NA
+PJ049323	GNEEEMM 	C31H50N8O15S2	838.2837	NA	PeJP	NA	NA
+PJ049324	GGGEEEMM 	C31H50N8O15S2	838.2838	NA	PeJP	NA	NA
+PJ049325	SNDDDHH 	C31H42N12O16	838.2842	NA	PeJP	NA	NA
+PJ049326	CDEFYY 	C39H46N6O13S	838.2844	NA	PeJP	NA	NA
+PJ049327	GPPTCCMM 	C32H54N8O10S4	838.2846	NA	PeJP	NA	NA
+PJ049328	PCCNEHH 	C32H46N12O11S2	838.2851	NA	PeJP	NA	NA
+PJ049329	SSSCNNNN 	C28H46N12O16S	838.2876	NA	PeJP	NA	NA
+PJ049330	GSPCCCNR 	C29H50N12O11S3	838.2885	NA	PeJP	NA	NA
+PJ049331	CCNQWW 	C37H46N10O9S2	838.2891	NA	PeJP	NA	NA
+FL5FABGI0010	Anhydroicaritin 3-galactosyl-(1->3)-rhamnoside-7-glucoside	C39H50O20	838.28954	128988-53-4	knapsack	NA	NA
+FL5FABGI0011	Epimedin A	C39H50O20	838.28954	110623-72-8	knapsack	NA	NA
+FL5FABGI0012	Hexandraside F;Epimedin A1;3-[(6-Deoxy-3-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C39H50O20	838.28954	140147-77-9	knapsack	NA	NA
+FL5FABGI0024	8-Prenylkaempferol 4'-methyl ether 3-rhamnosyl-(1->6)-galactoside-7-galactoside;3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-7-(beta-D-galactopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C39H50O20	838.28954	221040-57-9	knapsack	NA	NA
+MJ095887	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-galactopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C39H50O20	838.289544	NA	MeJP	NA	NA
+MJ095888	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C39H50O20	838.289544	NA	MeJP	NA	NA
+MJ095889	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C39H50O20	838.289544	NA	MeJP	NA	NA
+MJ095890	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 7-O-?-D-galactopyranoside 	C39H50O20	838.289544	NA	MeJP	NA	NA
+PJ049332	SSCNNEW 	C33H46N10O14S	838.2916	NA	PeJP	NA	NA
+PJ049333	GCNMMHF 	C34H50N10O9S3	838.2925	NA	PeJP	NA	NA
+PJ049334	SSSSNNDE 	C29H46N10O19	838.2941	NA	PeJP	NA	NA
+PJ049335	GDDDMMR 	C30H50N10O14S2	838.295	NA	PeJP	NA	NA
+MJ095891	?-D-Xylopyranosyl-(1?3)-?-L-arabinopyranosyl-(1?4)-[?-D-apiofuranosyl-(1?3)]-?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-D-xylopyranose 	C32H54O25	838.295417	NA	MeJP	NA	NA
+PJ049336	SDDMWW 	C38H46N8O12S	838.2956	NA	PeJP	NA	NA
+PJ049337	SCCKMMH 	C31H54N10O9S4	838.2958	NA	PeJP	NA	NA
+PJ049338	SSSDEEW 	C34H46N8O17	838.2981	NA	PeJP	NA	NA
+PJ049339	NEEMMW 	C35H50N8O12S2	838.299	NA	PeJP	NA	NA
+PJ049340	GPCCHHW 	C36H46N12O8S2	838.3003	NA	PeJP	NA	NA
+PJ049341	SSQEEEM 	C31H50N8O17S	838.3015	NA	PeJP	NA	NA
+PJ049342	SDEYYY 	C39H46N6O15	838.3021	NA	PeJP	NA	NA
+PJ049343	SPNEMMM 	C32H54N8O12S3	838.3024	NA	PeJP	NA	NA
+PJ049344	CNNNNNF 	C32H46N12O13S	838.3028	NA	PeJP	NA	NA
+PJ049345	GGGGGGCNNF 	C32H46N12O13S	838.3029	NA	PeJP	NA	NA
+PJ049346	PCMYYY 	C40H50N6O10S2	838.303	NA	PeJP	NA	NA
+PJ049347	ACCCHFR 	C33H50N12O8S3	838.3037	NA	PeJP	NA	NA
+PJ049348	SCNNDMR 	C29H50N12O13S2	838.3062	NA	PeJP	NA	NA
+PJ049349	TMMMYY 	C37H54N6O10S3	838.3064	NA	PeJP	NA	NA
+PJ049350	GSSCNWW 	C37H46N10O11S	838.3068	NA	PeJP	NA	NA
+PJ049351	GGGSSCWW 	C37H46N10O11S	838.3069	NA	PeJP	NA	NA
+PJ049352	GNNDQEY 	C33H46N10O16	838.3093	NA	PeJP	NA	NA
+PJ049353	GSSSSNDW 	C33H46N10O16	838.3094	NA	PeJP	NA	NA
+PJ049354	CDEMRW 	C34H50N10O11S2	838.3102	NA	PeJP	NA	NA
+PJ049355	GGGGGGPCMF 	C34H50N10O11S2	838.3103	NA	PeJP	NA	NA
+PJ049356	SSDDEMR 	C30H50N10O16S	838.3127	NA	PeJP	NA	NA
+PJ049357	GSPDDYW 	C38H46N8O14	838.3134	NA	PeJP	NA	NA
+PJ049358	SPCDMMR 	C31H54N10O11S3	838.3136	NA	PeJP	NA	NA
+PJ049359	GCDDHHR 	C31H46N14O12S	838.3141	NA	PeJP	NA	NA
+PJ049360	ADMMWW 	C39H50N8O9S2	838.3142	NA	PeJP	NA	NA
+PJ049361	GEMMWW 	C39H50N8O9S2	838.3143	NA	PeJP	NA	NA
+PJ049362	ASTDEMW 	C35H50N8O14S	838.3167	NA	PeJP	NA	NA
+PJ049363	GSTEEMW 	C35H50N8O14S	838.3168	NA	PeJP	NA	NA
+PJ049364	GSPMMMW 	C36H54N8O9S3	838.3176	NA	PeJP	NA	NA
+PJ049365	NDMHHW 	C36H46N12O10S	838.3181	NA	PeJP	NA	NA
+PJ049366	ASSSTEEE 	C31H50N8O19	838.3192	NA	PeJP	NA	NA
+PJ049367	GSSTTEEE 	C31H50N8O19	838.3193	NA	PeJP	NA	NA
+MJ095892	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,7,10-Tribenzoyl, 4,9,13-tri-Ac 	C47H50O14	838.320056	NA	MeJP	NA	NA
+MJ095893	11(15?1)-Abeo-5,20-epoxy-11-taxene-2,4,7,9,10,13,15-heptol, 2,9,10-Tribenzoyl, 4,7,13-tri-Ac 	C47H50O14	838.320056	NA	MeJP	NA	NA
+PJ049368	GDKEEMM 	C32H54N8O14S2	838.3201	NA	PeJP	NA	NA
+PJ049369	SNNNNNY 	C32H46N12O15	838.3206	NA	PeJP	NA	NA
+PJ049370	AEMYYY 	C40H50N6O12S	838.3208	NA	PeJP	NA	NA
+PJ049371	APQMMMM 	C33H58N8O9S4	838.321	NA	PeJP	NA	NA
+PJ049372	GSCCQRW 	C33H50N12O10S2	838.3215	NA	PeJP	NA	NA
+MJ095894	Antibiotic A 21459A 	C41H46N10O8S	838.322079	NA	MeJP	NA	NA
+PJ049373	GSSSCNER 	C29H50N12O15S	838.324	NA	PeJP	NA	NA
+PJ049374	NNNEYW 	C37H46N10O13	838.3246	NA	PeJP	NA	NA
+PJ049375	GCNQMMR 	C30H54N12O10S3	838.3248	NA	PeJP	NA	NA
+PJ049376	GGGGACMMR 	C30H54N12O10S3	838.3249	NA	PeJP	NA	NA
+PJ049377	CCNKWW 	C38H50N10O8S2	838.3255	NA	PeJP	NA	NA
+PJ049378	SSSNQMW 	C34H50N10O13S	838.328	NA	PeJP	NA	NA
+PJ049379	GDEFWW 	C42H46N8O11	838.3286	NA	PeJP	NA	NA
+PJ049380	ACCKMHF 	C35H54N10O8S3	838.3289	NA	PeJP	NA	NA
+PJ049381	MMWWW 	C43H50N8O6S2	838.3295	NA	PeJP	NA	NA
+PJ049382	SSSSSQQE 	C30H50N10O18	838.3305	NA	PeJP	NA	NA
+PJ049383	SNNDKMM 	C31H54N10O13S2	838.3313	NA	PeJP	NA	NA
+PJ049384	GSEEMMR 	C31H54N10O13S2	838.3314	NA	PeJP	NA	NA
+PJ049385	GSSSNNHH 	C31H46N14O14	838.3318	NA	PeJP	NA	NA
+PJ049386	STEMWW 	C39H50N8O11S	838.332	NA	PeJP	NA	NA
+PJ049387	APCMMMR 	C32H58N10O8S4	838.3322	NA	PeJP	NA	NA
+PJ049388	SPCCHHR 	C32H50N14O9S2	838.3327	NA	PeJP	NA	NA
+PJ049389	ACHHWW 	C40H46N12O7S	838.3333	NA	PeJP	NA	NA
+PJ049390	SSTTEEW 	C35H50N8O16	838.3345	NA	PeJP	NA	NA
+PJ049391	DKEMMW 	C36H54N8O11S2	838.3354	NA	PeJP	NA	NA
+PJ049392	GSSEHHW 	C36H46N12O12	838.3358	NA	PeJP	NA	NA
+PJ049393	GPNNDHW 	C36H46N12O12	838.3359	NA	PeJP	NA	NA
+PJ049394	PCFFYY 	C44H50N6O9S	838.336	NA	PeJP	NA	NA
+PJ049395	GCCNMRR 	C29H54N14O9S3	838.3361	NA	PeJP	NA	NA
+PJ049396	MMHHHF 	C37H50N12O7S2	838.3367	NA	PeJP	NA	NA
+PJ049397	SSKEEEM 	C32H54N8O16S	838.3379	NA	PeJP	NA	NA
+PJ049398	TTEYYY 	C40H50N6O14	838.3385	NA	PeJP	NA	NA
+PJ049399	GLQEMMM 	C33H58N8O11S3	838.3387	NA	PeJP	NA	NA
+PJ049400	GGALEMMM 	C33H58N8O11S3	838.3388	NA	PeJP	NA	NA
+PJ049401	SSSCNRW 	C33H50N12O12S	838.3392	NA	PeJP	NA	NA
+PJ049402	CLMFYY 	C41H54N6O9S2	838.3394	NA	PeJP	NA	NA
+PJ049403	GNNYWW 	C41H46N10O10	838.3399	NA	PeJP	NA	NA
+MJ095895	Saricandin 	C44H54O16	838.341185	NA	MeJP	NA	NA
+PJ049404	SSSSSNDR 	C29H50N12O17	838.3417	NA	PeJP	NA	NA
+PJ049405	SSNNMMR 	C30H54N12O12S2	838.3426	NA	PeJP	NA	NA
+PJ049406	PCDRYW 	C38H50N10O10S	838.3432	NA	PeJP	NA	NA
+PJ049407	GGGGQMFW 	C38H50N10O10S	838.3433	NA	PeJP	NA	NA
+PJ049408	DFWWW 	C46H46N8O8	838.3439	NA	PeJP	NA	NA
+PJ049409	GSSSSTQW 	C34H50N10O15	838.3457	NA	PeJP	NA	NA
+PJ049410	GGGNDKEY 	C34H50N10O15	838.3458	NA	PeJP	NA	NA
+PJ049411	SEMMRW 	C35H54N10O10S2	838.3466	NA	PeJP	NA	NA
+PJ049412	GNNNHHF 	C35H46N14O11	838.3471	NA	PeJP	NA	NA
+PJ049413	GPMYWW 	C43H50N8O8S	838.3473	NA	PeJP	NA	NA
+PJ049414	SSTEEMR 	C31H54N10O15S	838.3491	NA	PeJP	NA	NA
+PJ049415	VNEEYW 	C39H50N8O13	838.3498	NA	PeJP	NA	NA
+PJ049416	AAEMMMR 	C32H58N10O10S3	838.35	NA	PeJP	NA	NA
+PJ049417	SCNNKHH 	C32H50N14O11S	838.3504	NA	PeJP	NA	NA
+PJ049418	GSDMHHR 	C32H50N14O11S	838.3505	NA	PeJP	NA	NA
+PJ049419	SVMMWW 	C40H54N8O8S2	838.3506	NA	PeJP	NA	NA
+PJ049420	SSHHWW 	C40H46N12O9	838.3511	NA	PeJP	NA	NA
+PJ049421	SSSLEMW 	C36H54N8O13S	838.3531	NA	PeJP	NA	NA
+PJ049422	GGGLEEMF 	C36H54N8O13S	838.3532	NA	PeJP	NA	NA
+PJ049423	APYYYY 	C44H50N6O11	838.3538	NA	PeJP	NA	NA
+PJ049424	LQMMMW 	C37H58N8O8S3	838.354	NA	PeJP	NA	NA
+PJ049425	CNNFRW 	C37H50N12O9S	838.3545	NA	PeJP	NA	NA
+PJ049426	SSSSTLEE 	C32H54N8O18	838.3556	NA	PeJP	NA	NA
+PJ049427	ATKEEMM 	C33H58N8O13S2	838.3565	NA	PeJP	NA	NA
+PJ049428	DDDRRY 	C33H50N12O14	838.357	NA	PeJP	NA	NA
+PJ049429	SLMYYY 	C41H54N6O11S	838.3571	NA	PeJP	NA	NA
+PJ049430	APKMMMM 	C34H62N8O8S4	838.3574	NA	PeJP	NA	NA
+PJ049431	SPCKMHH 	C34H54N12O9S2	838.3578	NA	PeJP	NA	NA
+PJ049432	GSCCKRW 	C34H54N12O9S2	838.3579	NA	PeJP	NA	NA
+PJ049433	GSQHHHH 	C34H46N16O10	838.3583	NA	PeJP	NA	NA
+PJ049434	GSSSSQMR 	C30H54N12O14S	838.3603	NA	PeJP	NA	NA
+PJ049435	GGASSSSMR 	C30H54N12O14S	838.3604	NA	PeJP	NA	NA
+PJ049436	GEERYW 	C38H50N10O12	838.361	NA	PeJP	NA	NA
+PJ049437	DMMMRR 	C31H58N12O9S3	838.3612	NA	PeJP	NA	NA
+PJ049438	PCMFRW 	C39H54N10O7S2	838.3619	NA	PeJP	NA	NA
+MJ095896	2,3,5,14-Tetrahydroxy-19-oxo-20,22-bufadienolide, 2-Ac, 3-O-[?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C41H58O18	838.362315	NA	MeJP	NA	NA
+MJ095897	2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid, 23-Carboxylic acid, 3-O-[?-D-glucuronopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C41H58O18	838.362315	NA	MeJP	NA	NA
+MJ095898	3,14-Dihydroxybufa-5,7,20,22-tetraenolide, 3-Glycoside 	C41H58O18	838.362315	NA	MeJP	NA	NA
+PJ049439	SSSNKMW 	C35H54N10O12S	838.3644	NA	PeJP	NA	NA
+MJ095899	Vernamycin B? 	C43H50N8O10	838.364989	NA	MeJP	NA	NA
+PJ049440	GVEYWW 	C43H50N8O10	838.365	NA	PeJP	NA	NA
+PJ049441	CLMMRW 	C36H58N10O7S3	838.3652	NA	PeJP	NA	NA
+PJ049442	TCHHRW 	C36H50N14O8S	838.3657	NA	PeJP	NA	NA
+PJ049443	SSTTTTNQ 	C31H54N10O17	838.3668	NA	PeJP	NA	NA
+PJ049444	SSSSSQKE 	C31H54N10O17	838.3669	NA	PeJP	NA	NA
+PJ049445	ATTEMMR 	C32H58N10O12S2	838.3677	NA	PeJP	NA	NA
+PJ049446	GGGGTTKMM 	C32H58N10O12S2	838.3678	NA	PeJP	NA	NA
+PJ049447	SSSEHHR 	C32H50N14O13	838.3682	NA	PeJP	NA	NA
+PJ049448	GGGGGGGGGGLH 	C32H50N14O13	838.3683	NA	PeJP	NA	NA
+PJ049449	PDKMYW 	C40H54N8O10S	838.3684	NA	PeJP	NA	NA
+PJ049450	QMMHHR 	C33H54N14O8S2	838.3691	NA	PeJP	NA	NA
+PJ049451	TTTTTEW 	C36H54N8O15	838.3709	NA	PeJP	NA	NA
+PJ049452	GSSSSCRR 	C29H54N14O13S	838.3716	NA	PeJP	NA	NA
+PJ049453	GTTLMMW 	C37H58N8O10S2	838.3718	NA	PeJP	NA	NA
+PJ049454	SNNRYW 	C37H50N12O11	838.3722	NA	PeJP	NA	NA
+PJ049455	GGGGAPTHW 	C37H50N12O11	838.3723	NA	PeJP	NA	NA
+PJ049456	CLFFFY 	C45H54N6O8S	838.3724	NA	PeJP	NA	NA
+PJ049457	ACCCKRR 	C30H58N14O8S3	838.3725	NA	PeJP	NA	NA
+PJ049458	TTTKEEM 	C33H58N8O15S	838.3743	NA	PeJP	NA	NA
+PJ049459	GLKEMMM 	C34H62N8O10S3	838.3751	NA	PeJP	NA	NA
+PJ049460	NQQMRY 	C34H54N12O11S	838.3756	NA	PeJP	NA	NA
+MetaCyc04171	heme o []	C49H58N4O5FE1	838.375663	NA	metacyc	NA	NA
+HMDB01162	Heme O	C49H58FeN4O5	838.375671	NA	HMDB2010	NA	NA
+C15672	Heme O	C49H58FeN4O5	838.3757	NA	KEGG	NA	NA
+PJ049461	ERYWW 	C42H50N10O9	838.3762	NA	PeJP	NA	NA
+PJ049462	PVDHWW 	C42H50N10O9	838.3763	NA	PeJP	NA	NA
+PJ049463	SSSSSTQR 	C30H54N12O16	838.3781	NA	PeJP	NA	NA
+PJ049464	SSCQKMR 	C31H58N12O11S2	838.379	NA	PeJP	NA	NA
+PJ049465	GNNNQHR 	C31H50N16O12	838.3794	NA	PeJP	NA	NA
+PJ049466	GGGNNQHR 	C31H50N16O12	838.3795	NA	PeJP	NA	NA
+PJ049467	SPMRYW 	C39H54N10O9S	838.3796	NA	PeJP	NA	NA
+PJ049468	VYWWW 	C47H50N8O7	838.3803	NA	PeJP	NA	NA
+PJ049469	GSSSSTKW 	C35H54N10O14	838.3821	NA	PeJP	NA	NA
+PJ049470	GGGGAPPPTE 	C35H54N10O14	838.3822	NA	PeJP	NA	NA
+PJ049471	GSCKKMW 	C36H58N10O9S2	838.383	NA	PeJP	NA	NA
+PJ049472	NEHHFR 	C36H50N14O10	838.3835	NA	PeJP	NA	NA
+PJ049473	GLMFWW 	C44H54N8O7S	838.3837	NA	PeJP	NA	NA
+PJ049474	TTTTEMR 	C32H58N10O14S	838.3855	NA	PeJP	NA	NA
+PJ049475	TLQEYW 	C40H54N8O12	838.3861	NA	PeJP	NA	NA
+PJ049476	VDKEYW 	C40H54N8O12	838.3862	NA	PeJP	NA	NA
+PJ049477	GTLMMMR 	C33H62N10O9S3	838.3864	NA	PeJP	NA	NA
+PJ049478	CNQRRY 	C33H54N14O10S	838.3868	NA	PeJP	NA	NA
+PJ049479	GGGACRRY 	C33H54N14O10S	838.3869	NA	PeJP	NA	NA
+PJ049480	PKMMFW 	C41H58N8O7S2	838.387	NA	PeJP	NA	NA
+PJ049481	VNHHFW 	C41H50N12O8	838.3875	NA	PeJP	NA	NA
+PJ049482	STTTLMW 	C37H58N8O12S	838.3895	NA	PeJP	NA	NA
+PJ049483	ALFYYY 	C45H54N6O10	838.3902	NA	PeJP	NA	NA
+PJ049484	LKMMMW 	C38H62N8O7S3	838.3904	NA	PeJP	NA	NA
+MJ095900	Antibiotic X 14766A 	C43H63ClO14	838.390634	NA	MeJP	NA	NA
+PJ049485	TKMHHW 	C38H54N12O8S	838.3909	NA	PeJP	NA	NA
+PJ049486	SSTTTTLE 	C33H58N8O17	838.392	NA	PeJP	NA	NA
+PJ049487	STLKEMM 	C34H62N8O12S2	838.3929	NA	PeJP	NA	NA
+PJ049488	GSTQQRY 	C34H54N12O13	838.3933	NA	PeJP	NA	NA
+PJ049489	SEERRY 	C34H54N12O13	838.3934	NA	PeJP	NA	NA
+PJ049490	APPMMHR 	C35H58N12O8S2	838.3942	NA	PeJP	NA	NA
+PJ049491	GSKHHHH 	C35H50N16O9	838.3947	NA	PeJP	NA	NA
+PJ049492	GSSSSKMR 	C31H58N12O13S	838.3967	NA	PeJP	NA	NA
+PJ049493	SVERYW 	C39H54N10O11	838.3974	NA	PeJP	NA	NA
+PJ049494	ACCKKMR 	C32H62N12O8S3	838.3976	NA	PeJP	NA	NA
+PJ049495	GPCNHRR 	C32H54N16O9S	838.3981	NA	PeJP	NA	NA
+MJ095901	3,21,24-Trihydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O17	838.3987	NA	MeJP	NA	NA
+MJ095902	3,21-Dihydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O17	838.3987	NA	MeJP	NA	NA
+MJ095903	3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O17	838.3987	NA	MeJP	NA	NA
+MJ095904	3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H62O17	838.3987	NA	MeJP	NA	NA
+PJ049496	GHHFRW 	C40H50N14O7	838.3987	NA	PeJP	NA	NA
+PJ049497	SSTCKKW 	C36H58N10O11S	838.4007	NA	PeJP	NA	NA
+PJ049498	LQEMRY 	C36H58N10O11S	838.4008	NA	PeJP	NA	NA
+PJ049499	ATLYWW 	C44H54N8O9	838.4014	NA	PeJP	NA	NA
+PJ049500	SSSSSKKE 	C32H58N10O16	838.4032	NA	PeJP	NA	NA
+PJ049501	SSSSTDKK 	C32H58N10O16	838.4033	NA	PeJP	NA	NA
+PJ049502	STTLMMR 	C33H62N10O11S2	838.4041	NA	PeJP	NA	NA
+PJ049503	GSSNRRY 	C33H54N14O12	838.4046	NA	PeJP	NA	NA
+PJ049504	VLQMYW 	C41H58N8O9S	838.4048	NA	PeJP	NA	NA
+PJ049505	KMMHHR 	C34H58N14O7S2	838.4055	NA	PeJP	NA	NA
+PJ049506	GTLKEEY 	C37H58N8O14	838.4073	NA	PeJP	NA	NA
+PJ049507	AVLQMMF 	C38H62N8O9S2	838.4081	NA	PeJP	NA	NA
+PJ049508	GPLKMMY 	C38H62N8O9S2	838.4082	NA	PeJP	NA	NA
+PJ049509	GSPQKHW 	C38H54N12O10	838.4086	NA	PeJP	NA	NA
+PJ049510	SSSTTLLM 	C34H62N8O14S	838.4106	NA	PeJP	NA	NA
+PJ049511	SVLKMMM 	C35H66N8O9S3	838.4115	NA	PeJP	NA	NA
+PJ049512	VDMRRY 	C35H58N12O10S	838.412	NA	PeJP	NA	NA
+PJ049513	PTLHWW 	C43H54N10O8	838.4126	NA	PeJP	NA	NA
+PJ049514	GPPVHFW 	C43H54N10O8	838.4127	NA	PeJP	NA	NA
+PJ049515	SSSSSTKR 	C31H58N12O15	838.4145	NA	PeJP	NA	NA
+PJ049516	SSCKKMR 	C32H62N12O10S2	838.4154	NA	PeJP	NA	NA
+PJ049517	NQEHRR 	C32H54N16O11	838.4158	NA	PeJP	NA	NA
+PJ049518	GGGAEHRR 	C32H54N16O11	838.4159	NA	PeJP	NA	NA
+PJ049519	ALMRYW 	C40H58N10O8S	838.416	NA	PeJP	NA	NA
+PJ049520	GTTLERY 	C36H58N10O13	838.4185	NA	PeJP	NA	NA
+PJ049521	AALMMFR 	C37H62N10O8S2	838.4194	NA	PeJP	NA	NA
+PJ049522	VNQHRW 	C37H54N14O9	838.4199	NA	PeJP	NA	NA
+PJ049523	GSSTTKKM 	C33H62N10O13S	838.4219	NA	PeJP	NA	NA
+PJ049524	TLKEYW 	C41H58N8O11	838.4225	NA	PeJP	NA	NA
+PJ049525	GGGLLEFF 	C41H58N8O11	838.4226	NA	PeJP	NA	NA
+PJ049526	ACKKKMM 	C34H66N10O8S3	838.4228	NA	PeJP	NA	NA
+PJ049527	CNKRRY 	C34H58N14O9S	838.4232	NA	PeJP	NA	NA
+PJ049528	PPHFRW 	C42H54N12O7	838.4239	NA	PeJP	NA	NA
+PJ049529	GVLKEMY 	C38H62N8O11S	838.4259	NA	PeJP	NA	NA
+PJ049530	PLMHRW 	C39H58N12O7S	838.4273	NA	PeJP	NA	NA
+PJ049531	TTTTTTTL 	C34H62N8O16	838.4284	NA	PeJP	NA	NA
+PJ049532	GSTQKRY 	C35H58N12O12	838.4297	NA	PeJP	NA	NA
+PJ049533	GGGTTKRY 	C35H58N12O12	838.4298	NA	PeJP	NA	NA
+PJ049534	VMMFRR 	C36H62N12O7S2	838.4306	NA	PeJP	NA	NA
+PJ049535	GQHRRW 	C36H54N16O8	838.4311	NA	PeJP	NA	NA
+PJ049536	TTLRYW 	C40H58N10O10	838.4338	NA	PeJP	NA	NA
+MJ095905	3,12,14,16-Tetrahydroxycard-20(22)-enolide, 3-O-[3-O-Acetyl-D-digitoxosido(1?4)-D-digitoxosyl(1?4)-D-digitoxoside] 	C43H66O16	838.435086	NA	MeJP	NA	NA
+MJ095906	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C43H66O16	838.435086	NA	MeJP	NA	NA
+MJ095907	Helojaposide 	C43H66O16	838.435086	NA	MeJP	NA	NA
+MJ095908	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C43H66O16	838.435086	NA	MeJP	NA	NA
+MJ095909	Halichondramide; 5,6-Dihydro 	C44H62N4O12	838.436423	NA	MeJP	NA	NA
+PJ049537	LKEMRY 	C37H62N10O10S	838.4371	NA	PeJP	NA	NA
+PJ049538	GGGVKKMY 	C37H62N10O10S	838.4372	NA	PeJP	NA	NA
+PJ049539	PVKFYW 	C45H58N8O8	838.4378	NA	PeJP	NA	NA
+PJ049540	SSSTTTKK 	C33H62N10O15	838.4396	NA	PeJP	NA	NA
+PJ049541	SSKKKMM 	C34H66N10O10S2	838.4405	NA	PeJP	NA	NA
+PJ049542	LEEHRR 	C34H58N14O11	838.441	NA	PeJP	NA	NA
+PJ049543	VLKMYW 	C42H62N8O8S	838.4412	NA	PeJP	NA	NA
+PJ049544	PHHHRR 	C35H54N18O7	838.4423	NA	PeJP	NA	NA
+PJ049545	TTTILQY 	C38H62N8O13	838.4436	NA	PeJP	NA	NA
+PJ049546	SSLLKEY 	C38H62N8O13	838.4437	NA	PeJP	NA	NA
+PJ049547	GLLKMMF 	C39H66N8O8S2	838.4445	NA	PeJP	NA	NA
+PJ049548	VLEHRW 	C39H58N12O9	838.445	NA	PeJP	NA	NA
+PJ049549	TLMRRY 	C36H62N12O9S	838.4484	NA	PeJP	NA	NA
+PJ049550	VVLHWW 	C44H58N10O7	838.449	NA	PeJP	NA	NA
+C12070	Pulvomycin	C47H66O13	838.4503	NA	KEGG	NA	NA
+MJ095910	Labilomycin 	C47H66O13	838.450342	NA	MeJP	NA	NA
+PJ049551	NKEHRR 	C33H58N16O10	838.4522	NA	PeJP	NA	NA
+PJ049552	CKKKFW 	C41H62N10O7S	838.4524	NA	PeJP	NA	NA
+PJ049553	SSTLLRY 	C37H62N10O12	838.4549	NA	PeJP	NA	NA
+PJ049554	PPQRRW 	C38H58N14O8	838.4562	NA	PeJP	NA	NA
+MJ095911	Muricatin VIII 	C40H70O18	838.456215	NA	MeJP	NA	NA
+PJ049555	GAPPRRW 	C38H58N14O8	838.4563	NA	PeJP	NA	NA
+PJ049556	PPVVLEW 	C42H62N8O10	838.4589	NA	PeJP	NA	NA
+PJ049557	APCKKHR 	C35H62N14O8S	838.4596	NA	PeJP	NA	NA
+PJ049558	ATLLKMY 	C39H66N8O10S	838.4623	NA	PeJP	NA	NA
+PJ049559	SQHRRR 	C32H58N18O9	838.4635	NA	PeJP	NA	NA
+PJ049560	GSTKKRY 	C36H62N12O11	838.4661	NA	PeJP	NA	NA
+PJ049561	GGPPVKER 	C36H62N12O11	838.4662	NA	PeJP	NA	NA
+PJ049562	GKHRRW 	C37H58N16O7	838.4675	NA	PeJP	NA	NA
+PJ049563	SKKKYW 	C41H62N10O9	838.4702	NA	PeJP	NA	NA
+MJ095912	12-Oleanene-3,16,22,28-tetrol, 16-Ac, 3-O-?-D-glucuronopyranoside, 28-O-?-L-rhamnopyranoside 	C44H70O15	838.471471	NA	MeJP	NA	NA
+MJ095913	12-Oleanene-3,16,22,28-tetrol, 22-Ac, 3-O-?-D-glucuronopyranoside, 28-O-?-L-rhamnopyranoside 	C44H70O15	838.471471	NA	MeJP	NA	NA
+MJ095914	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-xylopyranoside 	C44H70O15	838.471471	NA	MeJP	NA	NA
+MJ095915	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Xylopyranoside, 3-O-(2,3-di-O-acetyl-?-D-xylopyranoside) 	C44H70O15	838.471471	NA	MeJP	NA	NA
+MJ095916	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C44H70O15	838.471471	NA	MeJP	NA	NA
+MJ095917	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C44H70O15	838.471471	NA	MeJP	NA	NA
+MJ095918	Polycavernoside A2; 4B,4C-Di-Me ether 	C44H70O15	838.471471	NA	MeJP	NA	NA
+PJ049564	AAKKKMY 	C38H66N10O9S	838.4735	NA	PeJP	NA	NA
+PJ049565	VLKFFW 	C46H62N8O7	838.4742	NA	PeJP	NA	NA
+PJ049566	GPPKERR 	C35H62N14O10	838.4774	NA	PeJP	NA	NA
+PJ049567	TTTLLKY 	C39H66N8O12	838.48	NA	PeJP	NA	NA
+PJ049568	GPPTLLLE 	C39H66N8O12	838.4801	NA	PeJP	NA	NA
+PJ049569	GPPVKRW 	C40H62N12O8	838.4814	NA	PeJP	NA	NA
+PJ049570	GLLLMHR 	C37H66N12O8S	838.4848	NA	PeJP	NA	NA
+PJ049571	GPPTRRR 	C34H62N16O9	838.4886	NA	PeJP	NA	NA
+PJ049572	ATTKKKY 	C38H66N10O11	838.4913	NA	PeJP	NA	NA
+PJ049573	PPKRRW 	C39H62N14O7	838.4926	NA	PeJP	NA	NA
+PJ049574	PPTLLLW 	C43H66N8O9	838.4953	NA	PeJP	NA	NA
+PJ049575	GPPVLLLM 	C40H70N8O9S	838.4987	NA	PeJP	NA	NA
+PJ049576	SKHRRR 	C33H62N18O8	838.4998	NA	PeJP	NA	NA
+PJ049577	STLLLHR 	C37H66N12O10	838.5025	NA	PeJP	NA	NA
+PJ049578	APPLKKW 	C42H66N10O8	838.5065	NA	PeJP	NA	NA
+MJ095919	Antibiotic TAN 1323C 	C45H74O14	838.507857	NA	MeJP	NA	NA
+PJ049579	PPLLLMR 	C39H70N10O8S	838.5099	NA	PeJP	NA	NA
+PJ049580	SPPVKRR 	C36H66N14O9	838.5138	NA	PeJP	NA	NA
+PJ049581	SSPPLLLL 	C40H70N8O11	838.5164	NA	PeJP	NA	NA
+PJ049582	AAPLLLLE 	C40H70N8O11	838.5165	NA	PeJP	NA	NA
+PJ049583	LKKKHW 	C41H66N12O7	838.5178	NA	PeJP	NA	NA
+PJ049584	AAPLRRR 	C35H66N16O8	838.525	NA	PeJP	NA	NA
+PJ049585	PVLLLER 	C39H70N10O10	838.5277	NA	PeJP	NA	NA
+PJ049586	PVVLLLW 	C44H70N8O8	838.5317	NA	PeJP	NA	NA
+PJ049587	PVRRRR 	C34H66N18O7	838.5362	NA	PeJP	NA	NA
+PJ049588	PPTLKKR 	C38H70N12O9	838.5389	NA	PeJP	NA	NA
+PJ049589	APVLKRR 	C37H70N14O8	838.5501	NA	PeJP	NA	NA
+PJ049590	GPLLKRR 	C37H70N14O8	838.5502	NA	PeJP	NA	NA
+PJ049591	GPTLLLLL 	C41H74N8O10	838.5528	NA	PeJP	NA	NA
+HMDB09781	PI(16:0/18:0)	C43H83O13P	838.557129	NA	HMDB2010	NA	NA
+HMDB09805	PI(18:0/16:0)	C43H83O13P	838.557129	NA	HMDB2010	NA	NA
+PJ049592	PLLLQKK 	C40H74N10O9	838.5641	NA	PeJP	NA	NA
+MJ095920	Gyroxanthin; 19-Dodecanoyl, 3'-Ac 	C54H78O7	838.574754	NA	MeJP	NA	NA
+MJ095921	Gyroxanthin; 9Z-Isomer, 19-dodecanoyl, 3'-Ac 	C54H78O7	838.574754	NA	MeJP	NA	NA
+PJ049593	PVVLKKR 	C39H74N12O8	838.5753	NA	PeJP	NA	NA
+PJ049594	AALLLLLL 	C42H78N8O9	838.5892	NA	PeJP	NA	NA
+MJ095922	Flavumycin A 	C54H80NO6	838.598564	NA	MeJP	NA	NA
+PJ049595	VLLLLLR 	C41H78N10O8	838.6004	NA	PeJP	NA	NA
+MJ095923	Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-(9-Octadecenoyl)-?-D-glucopyranoside] 	C53H90O7	838.668655	NA	MeJP	NA	NA
+MJ095924	Oxalyl-CoA 	C23H36N7O19P3S	839.099952	NA	MeJP	NA	NA
+MetaCyc04172	oxalyl-CoA [CoA-oxalate;]	C23H36N7O19P3S1	839.099952	NA	metacyc	NA	NA
+MetaCyc04173	oxalyl-CoA []	C23H36N7O19P3S1	839.099952	NA	metacyc	NA	NA
+C00313	Oxalyl-CoA	C23H36N7O19P3S	839.1	NA	KEGG	NA	NA
+C00827	Lactoyl-CoA	C24H40N7O18P3S	839.1363	NA	KEGG	NA	NA
+C00828	Menaquinone	C16H16O2	839.1363	NA	KEGG	NA	NA
+C05668	3-Hydroxypropionyl-CoA	C24H40N7O18P3S	839.1363	NA	KEGG	NA	NA
+MJ095925	3-Hydroxypropionyl-CoA 	C24H40N7O18P3S	839.136337	NA	MeJP	NA	NA
+MJ095926	Lactoyl-CoA 	C24H40N7O18P3S	839.136337	NA	MeJP	NA	NA
+MetaCyc04174	R-lactoyl-CoA [lactoyl-CoaA;]	C24H40N7O18P3S1	839.136338	NA	metacyc	NA	NA
+MetaCyc04175	L-lactoyl-CoA [lactoyl-CoA;lactyl-Coa;]	C24H40N7O18P3S1	839.136338	NA	metacyc	NA	NA
+MetaCyc04176	D-lactoyl-CoA []	C24H40N7O18P3S1	839.136338	NA	metacyc	NA	NA
+MetaCyc04177	3-hydroxypropionyl-CoA [3-hydroxypropionyl-coenzyme A;3-Hydroxypropanoyl-CoA;3-Hydroxypropanoyl coenzymeA;]	C24H40N7O18P3S1	839.136338	NA	metacyc	NA	NA
+HMDB02125	b-Hydroxypropionyl-CoA	C24H40N7O18P3S	839.13635	http://www.hmdb.ca/metabolites/HMDB02125	HMDB	NA	NA
+HMDB02346	Lactyl-CoA	C24H40N7O18P3S	839.13635	http://www.hmdb.ca/metabolites/HMDB02346	HMDB	NA	NA
+HMDB06807	3-Hydroxypropionyl-CoA	C24H40N7O18P3S	839.13635	http://www.hmdb.ca/metabolites/HMDB06807	HMDB	NA	NA
+HMDB02125	b-Hydroxypropionyl-CoA	C24H40N7O18P3S	839.13635	HMDB02125	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02346	Lactyl-CoA	C24H40N7O18P3S	839.13635	HMDB02346	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06807	3-Hydroxypropionyl-CoA	C24H40N7O18P3S	839.13635	HMDB06807	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02346	Lactyl-CoA	C24H40N7O18P3S	839.136353	NA	HMDB2010	NA	NA
+HMDB06807	3-Hydroxypropionyl-CoA	C24H40N7O18P3S	839.136353	NA	HMDB2010	NA	NA
+PJ049596	CCCCDMY 	C30H45N7O11S5	839.1781	NA	PeJP	NA	NA
+PJ049597	CCCCMMF 	C31H49N7O8S6	839.1967	NA	PeJP	NA	NA
+PJ049598	CCCDEMH 	C29H45N9O12S4	839.2071	NA	PeJP	NA	NA
+PJ049599	CCCCDFF 	C34H45N7O10S4	839.2111	NA	PeJP	NA	NA
+PJ049600	DDDDDDM 	C29H41N7O20S	839.2128	NA	PeJP	NA	NA
+PJ049601	SCCCMMY 	C31H49N7O10S5	839.2145	NA	PeJP	NA	NA
+PJ049602	GSCCCCQH 	C28H45N11O11S4	839.2183	NA	PeJP	NA	NA
+PJ049603	GSCNDDDD 	C28H41N9O19S	839.224	NA	PeJP	NA	NA
+PJ049604	GPCCCNDE 	C29H45N9O14S3	839.2249	NA	PeJP	NA	NA
+PJ049605	GCCCEYY 	C34H45N7O12S3	839.2289	NA	PeJP	NA	NA
+PJ049606	SSSCCCNH 	C28H45N11O13S3	839.2361	NA	PeJP	NA	NA
+PJ049607	PCCCNDW 	C33H45N9O11S3	839.2401	NA	PeJP	NA	NA
+PJ049608	CNNDDEM 	C29H45N9O16S2	839.2426	NA	PeJP	NA	NA
+PJ049609	SCCEMMH 	C30H49N9O11S4	839.2435	NA	PeJP	NA	NA
+PJ049610	CCCYYW 	C38H45N7O9S3	839.2441	NA	PeJP	NA	NA
+PJ049611	SSCCDYY 	C34H45N7O14S2	839.2466	NA	PeJP	NA	NA
+PJ049612	ACCCMFY 	C35H49N7O9S4	839.2475	NA	PeJP	NA	NA
+PJ049613	SDDDEEM 	C30H45N7O19S	839.2491	NA	PeJP	NA	NA
+PJ049614	PCDDEMM 	C31H49N7O14S3	839.25	NA	PeJP	NA	NA
+PJ049615	CCCNNHF 	C32H45N11O10S3	839.2513	NA	PeJP	NA	NA
+PJ049616	GGGGCCCHF 	C32H45N11O10S3	839.2514	NA	PeJP	NA	NA
+PJ049617	CCNDDDR 	C28H45N11O15S2	839.2538	NA	PeJP	NA	NA
+PJ049618	GGCCDDDR 	C28H45N11O15S2	839.2539	NA	PeJP	NA	NA
+PJ049619	GSCCCCKH 	C29H49N11O10S4	839.2547	NA	PeJP	NA	NA
+PJ049620	GCNDDMW 	C33H45N9O13S2	839.2579	NA	PeJP	NA	NA
+PJ049621	PCCCMHF 	C34H49N9O8S4	839.2587	NA	PeJP	NA	NA
+PJ049622	GSSNDDDM 	C29H45N9O18S	839.2604	NA	PeJP	NA	NA
+PJ049623	GSPCCNEM 	C30H49N9O13S3	839.2612	NA	PeJP	NA	NA
+PJ049624	GCMMMMH 	C31H53N9O8S5	839.2621	NA	PeJP	NA	NA
+PJ049625	TCCCHHH 	C31H45N13O9S3	839.2626	NA	PeJP	NA	NA
+MJ095927	Perdeacylwilfortrine; 8-Ketone, 2-benzoyl, 1,6,9,14-tetra-Ac 	C41H45NO18	839.263663	NA	MeJP	NA	NA
+PJ049626	PCDDDEF 	C34H45N7O16S	839.2644	NA	PeJP	NA	NA
+PJ049627	GTCCMYY 	C35H49N7O11S3	839.2652	NA	PeJP	NA	NA
+PJ049628	GDEEEMM 	C31H49N7O16S2	839.2678	NA	PeJP	NA	NA
+PJ049629	SDDDDHH 	C31H41N11O17	839.2682	NA	PeJP	NA	NA
+PJ049630	SCCNNNW 	C32H45N11O12S2	839.2691	NA	PeJP	NA	NA
+PJ049631	SSSCNNND 	C28H45N11O17S	839.2716	NA	PeJP	NA	NA
+PJ049632	GSPCCCDR 	C29H49N11O12S3	839.2725	NA	PeJP	NA	NA
+PJ049633	CCNEWW 	C37H45N9O10S2	839.2731	NA	PeJP	NA	NA
+PJ049634	SSCNDEW 	C33H45N9O15S	839.2756	NA	PeJP	NA	NA
+PJ049635	SPCCNMW 	C34H49N9O10S3	839.2765	NA	PeJP	NA	NA
+PJ049636	SSSSNDDE 	C29H45N9O20	839.2781	NA	PeJP	NA	NA
+PJ049637	SNNDEMM 	C30H49N9O15S2	839.279	NA	PeJP	NA	NA
+PJ049638	CNDYYY 	C38H45N7O13S	839.2796	NA	PeJP	NA	NA
+PJ049639	STCMMMH 	C31H53N9O10S4	839.2798	NA	PeJP	NA	NA
+PJ049640	PCNNMMM 	C31H53N9O10S4	839.2799	NA	PeJP	NA	NA
+PJ049641	ACCCFFF 	C39H49N7O8S3	839.2805	NA	PeJP	NA	NA
+PJ049642	SPDDDEY 	C34H45N7O18	839.2821	NA	PeJP	NA	NA
+PJ049643	GDDEEEF 	C34H45N7O18	839.2822	NA	PeJP	NA	NA
+PJ049644	DEEMMW 	C35H49N7O13S2	839.283	NA	PeJP	NA	NA
+PJ049645	CCCNNQR 	C28H49N13O11S3	839.2837	NA	PeJP	NA	NA
+PJ049646	SSEEEEM 	C31H49N7O18S	839.2855	NA	PeJP	NA	NA
+PJ049647	SPDEMMM 	C32H53N7O13S3	839.2864	NA	PeJP	NA	NA
+PJ049648	CNNNNDF 	C32H45N11O14S	839.2868	NA	PeJP	NA	NA
+PJ049649	GGCNNNDF 	C32H45N11O14S	839.2869	NA	PeJP	NA	NA
+PJ049650	PPCMMMM 	C33H57N7O8S5	839.2873	NA	PeJP	NA	NA
+PJ049651	GCCWWW 	C41H45N9O7S2	839.2884	NA	PeJP	NA	NA
+PJ049652	SCNDDMR 	C29H49N11O14S2	839.2902	NA	PeJP	NA	NA
+PJ049653	GSSCDWW 	C37H45N9O12S	839.2909	NA	PeJP	NA	NA
+PJ049654	PCCCQMR 	C30H53N11O9S4	839.2911	NA	PeJP	NA	NA
+PJ049655	GSSSSDDW 	C33H45N9O17	839.2934	NA	PeJP	NA	NA
+PJ049656	GSNDMMW 	C34H49N9O12S2	839.2942	NA	PeJP	NA	NA
+PJ049657	GGGSDMMW 	C34H49N9O12S2	839.2943	NA	PeJP	NA	NA
+PJ049658	GCCHHHF 	C35H45N13O8S2	839.2956	NA	PeJP	NA	NA
+PJ049659	GSSSNEEM 	C30H49N9O17S	839.2967	NA	PeJP	NA	NA
+PJ049660	GGGSSSEEM 	C30H49N9O17S	839.2968	NA	PeJP	NA	NA
+PJ049661	DDEEFW 	C38H45N7O15	839.2974	NA	PeJP	NA	NA
+PJ049662	GNQEMMM 	C31H53N9O12S3	839.2976	NA	PeJP	NA	NA
+PJ049663	SCNNEHH 	C31H45N13O13S	839.2981	NA	PeJP	NA	NA
+PJ049664	CNMFYY 	C39H49N7O10S2	839.2983	NA	PeJP	NA	NA
+MJ095928	Capensolactone 2 	C42H49NO17	839.300049	NA	MeJP	NA	NA
+PJ049665	GPDEEMY 	C35H49N7O15S	839.3008	NA	PeJP	NA	NA
+PJ049666	GSSCCNNR 	C28H49N13O13S2	839.3015	NA	PeJP	NA	NA
+PJ049667	PPCDMMF 	C36H53N7O10S3	839.3016	NA	PeJP	NA	NA
+PJ049668	DDMHHW 	C36H45N11O11S	839.3021	NA	PeJP	NA	NA
+PJ049669	PCCCCRR 	C29H53N13O8S4	839.3023	NA	PeJP	NA	NA
+PJ049670	ATEEEMM 	C32H53N7O15S2	839.3041	NA	PeJP	NA	NA
+PJ049671	SNNNNDY 	C32H45N11O16	839.3046	NA	PeJP	NA	NA
+PJ049672	APEMMMM 	C33H57N7O10S4	839.305	NA	PeJP	NA	NA
+PJ049673	GSCCERW 	C33H49N11O11S2	839.3055	NA	PeJP	NA	NA
+PJ049674	GSSSCDER 	C29H49N11O16S	839.308	NA	PeJP	NA	NA
+PJ049675	NNDEYW 	C37H45N9O14	839.3086	NA	PeJP	NA	NA
+PJ049676	GCNEMMR 	C30H53N11O11S3	839.3088	NA	PeJP	NA	NA
+PJ049677	GGGCEMMR 	C30H53N11O11S3	839.3089	NA	PeJP	NA	NA
+PJ049678	SCQMWW 	C38H49N9O9S2	839.3095	NA	PeJP	NA	NA
+PJ049679	SSSNEMW 	C34H49N9O14S	839.312	NA	PeJP	NA	NA
+PJ049680	NQMMMW 	C35H53N9O9S3	839.3129	NA	PeJP	NA	NA
+PJ049681	GSCNHHW 	C35H45N13O10S	839.3133	NA	PeJP	NA	NA
+PJ049682	GGGSCHHW 	C35H45N13O10S	839.3134	NA	PeJP	NA	NA
+PJ049683	SSSSSQEE 	C30H49N9O19	839.3145	NA	PeJP	NA	NA
+PJ049684	SSQQEMM 	C31H53N9O14S2	839.3154	NA	PeJP	NA	NA
+PJ049685	GSSSNDHH 	C31H45N13O15	839.3158	NA	PeJP	NA	NA
+PJ049686	GGGSSSDHH 	C31H45N13O15	839.3159	NA	PeJP	NA	NA
+PJ049687	PDEMYW 	C39H49N7O12S	839.316	NA	PeJP	NA	NA
+PJ049688	PCCQKMM 	C32H57N9O9S4	839.3162	NA	PeJP	NA	NA
+PJ049689	GAPCCKMM 	C32H57N9O9S4	839.3163	NA	PeJP	NA	NA
+PJ049690	GNNMMHH 	C32H49N13O10S2	839.3167	NA	PeJP	NA	NA
+PJ049691	AAEEEEY 	C35H49N7O17	839.3185	NA	PeJP	NA	NA
+PJ049692	SPPDMMY 	C36H53N7O12S2	839.3194	NA	PeJP	NA	NA
+PJ049693	GPNDDHW 	C36H45N11O13	839.3199	NA	PeJP	NA	NA
+PJ049694	GCCDMRR 	C29H53N13O10S3	839.3201	NA	PeJP	NA	NA
+PJ049695	SCCRWW 	C37H49N11O8S2	839.3207	NA	PeJP	NA	NA
+PJ049696	TTTEEEM 	C32H53N7O17S	839.3219	NA	PeJP	NA	NA
+PJ049697	GLEEMMM 	C33H57N7O12S3	839.3228	NA	PeJP	NA	NA
+PJ049698	SSSCDRW 	C33H49N11O13S	839.3232	NA	PeJP	NA	NA
+PJ049699	GGGGGGGQMY 	C33H49N11O13S	839.3233	NA	PeJP	NA	NA
+PJ049700	GNDYWW 	C41H45N9O11	839.3239	NA	PeJP	NA	NA
+PJ049701	CNMMRW 	C34H53N11O8S3	839.3241	NA	PeJP	NA	NA
+PJ049702	SSSSSDDR 	C29H49N11O18	839.3257	NA	PeJP	NA	NA
+PJ049703	SSNDMMR 	C30H53N11O13S2	839.3266	NA	PeJP	NA	NA
+PJ049704	NNNNNNH 	C30H45N15O14	839.3271	NA	PeJP	NA	NA
+PJ049705	GSSSMWW 	C38H49N9O11S	839.3273	NA	PeJP	NA	NA
+PJ049706	PCCCKMR 	C31H57N11O8S4	839.3275	NA	PeJP	NA	NA
+PJ049707	ACCNHHR 	C31H49N15O9S2	839.3279	NA	PeJP	NA	NA
+PJ049708	GCCQHHR 	C31H49N15O9S2	839.328	NA	PeJP	NA	NA
+PJ049709	ASNQEEY 	C34H49N9O16	839.3297	NA	PeJP	NA	NA
+PJ049710	GSSSSTEW 	C34H49N9O16	839.3298	NA	PeJP	NA	NA
+PJ049711	GSTQMMW 	C35H53N9O11S2	839.3306	NA	PeJP	NA	NA
+PJ049712	GNNDHHF 	C35H45N13O12	839.3311	NA	PeJP	NA	NA
+PJ049713	CNFFFY 	C43H49N7O9S	839.3313	NA	PeJP	NA	NA
+PJ049714	GSSSDKEM 	C31H53N9O16S	839.3331	NA	PeJP	NA	NA
+PJ049715	VDEEYW 	C39H49N7O14	839.3338	NA	PeJP	NA	NA
+PJ049716	GNKEMMM 	C32H57N9O11S3	839.334	NA	PeJP	NA	NA
+PJ049717	GCNNNRY 	C32H49N13O12S	839.3345	NA	PeJP	NA	NA
+PJ049718	PEMMFW 	C40H53N7O9S2	839.3347	NA	PeJP	NA	NA
+MJ095929	Sulfurmycin A 	C43H53NO16	839.336434	NA	MeJP	NA	NA
+PJ049719	APTEEMY 	C36H53N7O14S	839.3372	NA	PeJP	NA	NA
+PJ049720	SSCCERR 	C29H53N13O12S2	839.3378	NA	PeJP	NA	NA
+PJ049721	LEMMMW 	C37H57N7O9S3	839.338	NA	PeJP	NA	NA
+PJ049722	CNDFRW 	C37H49N11O10S	839.3385	NA	PeJP	NA	NA
+PJ049723	STLEEMM 	C33H57N7O14S2	839.3405	NA	PeJP	NA	NA
+PJ049724	GSNDERY 	C33H49N11O15	839.341	NA	PeJP	NA	NA
+PJ049725	SPLMMMM 	C34H61N7O9S4	839.3414	NA	PeJP	NA	NA
+PJ049726	GSTCMRW 	C34H53N11O10S2	839.3419	NA	PeJP	NA	NA
+PJ049727	GSEHHHH 	C34H45N15O11	839.3423	NA	PeJP	NA	NA
+PJ049728	GNMFWW 	C42H49N9O8S	839.3425	NA	PeJP	NA	NA
+PJ049729	GSSSSEMR 	C30H53N11O15S	839.3444	NA	PeJP	NA	NA
+PJ049730	SSSSTWW 	C38H49N9O13	839.345	NA	PeJP	NA	NA
+PJ049731	GSQMMMR 	C31H57N11O10S3	839.3452	NA	PeJP	NA	NA
+PJ049732	GGGGCCKKM 	C31H57N11O10S3	839.3453	NA	PeJP	NA	NA
+PJ049733	SSCNHHR 	C31H49N15O11S	839.3457	NA	PeJP	NA	NA
+PJ049734	SCKMWW 	C39H53N9O8S2	839.3459	NA	PeJP	NA	NA
+PJ049735	SSSDKMW 	C35H53N9O13S	839.3484	NA	PeJP	NA	NA
+PJ049736	PPDYYW 	C43H49N7O11	839.349	NA	PeJP	NA	NA
+MJ095930	Virginiamycin S1; 5'-Hydroxy 	C43H49N7O11	839.349005	NA	MeJP	NA	NA
+PJ049737	NKMMMW 	C36H57N9O8S3	839.3493	NA	PeJP	NA	NA
+PJ049738	SSSSSKEE 	C31H53N9O18	839.3509	NA	PeJP	NA	NA
+PJ049739	TTTQQMM 	C32H57N9O13S2	839.3517	NA	PeJP	NA	NA
+PJ049740	SSQKEMM 	C32H57N9O13S2	839.3518	NA	PeJP	NA	NA
+PJ049741	SPNDDHR 	C32H49N13O14	839.3522	NA	PeJP	NA	NA
+PJ049742	GGGGGAAQEH 	C32H49N13O14	839.3523	NA	PeJP	NA	NA
+PJ049743	VEEMFW 	C40H53N7O11S	839.3524	NA	PeJP	NA	NA
+PJ049744	PCCKKMM 	C33H61N9O8S4	839.3526	NA	PeJP	NA	NA
+PJ049745	EMMHHR 	C33H53N13O9S2	839.3531	NA	PeJP	NA	NA
+PJ049746	GTLEEEY 	C36H53N7O16	839.3549	NA	PeJP	NA	NA
+PJ049747	GPLEMMY 	C37H57N7O11S2	839.3558	NA	PeJP	NA	NA
+PJ049748	SNDRYW 	C37H49N11O12	839.3562	NA	PeJP	NA	NA
+PJ049749	GGSDRYW 	C37H49N11O12	839.3563	NA	PeJP	NA	NA
+PJ049750	GSCMMRR 	C30H57N13O9S3	839.3565	NA	PeJP	NA	NA
+PJ049751	VMMHHW 	C38H53N11O7S2	839.3571	NA	PeJP	NA	NA
+PJ049752	SHHHHW 	C38H45N15O8	839.3576	NA	PeJP	NA	NA
+PJ049753	SVLEMMM 	C34H61N7O11S3	839.3591	NA	PeJP	NA	NA
+PJ049754	VVTEMMM 	C34H61N7O11S3	839.3592	NA	PeJP	NA	NA
+PJ049755	SSSSMRW 	C34H53N11O12S	839.3596	NA	PeJP	NA	NA
+PJ049756	GGGGGGGPPPM 	C34H53N11O12S	839.3597	NA	PeJP	NA	NA
+PJ049757	GTQYWW 	C42H49N9O10	839.3603	NA	PeJP	NA	NA
+PJ049758	AAMHHHH 	C35H49N15O8S	839.361	NA	PeJP	NA	NA
+PJ049759	SSSSSTER 	C30H53N11O17	839.3621	NA	PeJP	NA	NA
+PJ049760	SSTQMMR 	C31H57N11O12S2	839.363	NA	PeJP	NA	NA
+PJ049761	GNNNEHR 	C31H49N15O13	839.3635	NA	PeJP	NA	NA
+PJ049762	VNQMYW 	C39H53N9O10S	839.3636	NA	PeJP	NA	NA
+PJ049763	GGGGLMYW 	C39H53N9O10S	839.3637	NA	PeJP	NA	NA
+PJ049764	GCCKHHR 	C32H53N15O8S2	839.3643	NA	PeJP	NA	NA
+PJ049765	SSSSSSLW 	C35H53N9O15	839.3661	NA	PeJP	NA	NA
+PJ049766	GGGTKEEY 	C35H53N9O15	839.3662	NA	PeJP	NA	NA
+PJ049767	GSTKMMW 	C36H57N9O10S2	839.367	NA	PeJP	NA	NA
+PJ049768	NQQQHW 	C36H49N13O11	839.3675	NA	PeJP	NA	NA
+PJ049769	PPMFYW 	C44H53N7O8S	839.3677	NA	PeJP	NA	NA
+PJ049770	GSSTTKEM 	C32H57N9O15S	839.3695	NA	PeJP	NA	NA
+PJ049771	TLEEYW 	C40H53N7O13	839.3702	NA	PeJP	NA	NA
+PJ049772	GDKKMMM 	C33H61N9O10S3	839.3704	NA	PeJP	NA	NA
+PJ049773	SSNKMHH 	C33H53N13O11S	839.3708	NA	PeJP	NA	NA
+PJ049774	CNERRY 	C33H53N13O11S	839.3709	NA	PeJP	NA	NA
+PJ049775	PLMMYW 	C41H57N7O8S2	839.371	NA	PeJP	NA	NA
+PJ049776	SPQHWW 	C41H49N11O9	839.3715	NA	PeJP	NA	NA
+PJ049777	GVLEEMY 	C37H57N7O13S	839.3735	NA	PeJP	NA	NA
+PJ049778	SSTCMRR 	C30H57N13O11S2	839.3742	NA	PeJP	NA	NA
+PJ049779	APLMMMF 	C38H61N7O8S3	839.3744	NA	PeJP	NA	NA
+PJ049780	GQMRYW 	C38H53N11O9S	839.3749	NA	PeJP	NA	NA
+PJ049781	GHFFFW 	C46H49N9O7	839.3755	NA	PeJP	NA	NA
+PJ049782	GSTQERY 	C34H53N11O14	839.3774	NA	PeJP	NA	NA
+PJ049783	ALLMMMM 	C35H65N7O8S4	839.3778	NA	PeJP	NA	NA
+PJ049784	APCCKRY 	C35H57N11O9S2	839.3782	NA	PeJP	NA	NA
+PJ049785	GAQMMFR 	C35H57N11O9S2	839.3783	NA	PeJP	NA	NA
+PJ049786	NNNHRW 	C35H49N15O10	839.3787	NA	PeJP	NA	NA
+PJ049787	ACKFWW 	C43H53N9O7S	839.3789	NA	PeJP	NA	NA
+PJ049788	GSSTTTMR 	C31H57N11O14S	839.3807	NA	PeJP	NA	NA
+PJ049789	GGSSSSCKK 	C31H57N11O14S	839.3808	NA	PeJP	NA	NA
+PJ049790	SQKEYW 	C39H53N9O12	839.3814	NA	PeJP	NA	NA
+PJ049791	GSKMMMR 	C32H61N11O9S3	839.3816	NA	PeJP	NA	NA
+PJ049792	GPCDHRR 	C32H53N15O10S	839.3821	NA	PeJP	NA	NA
+PJ049793	KMMHFF 	C40H57N9O7S2	839.3823	NA	PeJP	NA	NA
+PJ049794	SSTTKMW 	C36H57N9O12S	839.3848	NA	PeJP	NA	NA
+MJ095931	Delavayin C 	C44H53N7O10	839.38539	NA	MeJP	NA	NA
+PJ049795	PVEFYW 	C44H53N7O10	839.3854	NA	PeJP	NA	NA
+PJ049796	GCRRYW 	C37H53N13O8S	839.3861	NA	PeJP	NA	NA
+PJ049797	SSSTTTKE 	C32H57N9O17	839.3873	NA	PeJP	NA	NA
+MJ095932	4-Methylaconitane-1,3,6,8,13,14,15,16,18-nonol, O8-Et, O1,O6,O16,O18-Tetra-Me, N-Et, 3,14,15-tribenzoyl 	C48H57NO12	839.388076	NA	MeJP	NA	NA
+PJ049798	SSKKEMM 	C33H61N9O12S2	839.3881	NA	PeJP	NA	NA
+PJ049799	GSSDRRY 	C33H53N13O13	839.3886	NA	PeJP	NA	NA
+PJ049800	VLEMYW 	C41H57N7O10S	839.3888	NA	PeJP	NA	NA
+PJ049801	CQMFRR 	C34H57N13O8S2	839.3895	NA	PeJP	NA	NA
+PJ049802	SSLLEEY 	C37H57N7O15	839.3913	NA	PeJP	NA	NA
+PJ049803	SPVLMMY 	C38H61N7O10S2	839.3922	NA	PeJP	NA	NA
+PJ049804	STQRYW 	C38H53N11O11	839.3926	NA	PeJP	NA	NA
+PJ049805	GGAALEHW 	C38H53N11O11	839.3927	NA	PeJP	NA	NA
+PJ049806	TTLLMMM 	C35H65N7O10S3	839.3955	NA	PeJP	NA	NA
+PJ049807	NKEMRY 	C35H57N11O11S	839.396	NA	PeJP	NA	NA
+PJ049808	GTKYWW 	C43H53N9O9	839.3967	NA	PeJP	NA	NA
+PJ049809	SSSTTTTR 	C31H57N11O16	839.3985	NA	PeJP	NA	NA
+PJ049810	SSTKMMR 	C32H61N11O11S2	839.3994	NA	PeJP	NA	NA
+PJ049811	GNNDKHR 	C32H53N15O12	839.3998	NA	PeJP	NA	NA
+PJ049812	NEEHRR 	C32H53N15O12	839.3999	NA	PeJP	NA	NA
+PJ049813	VNKMYW 	C40H57N9O9S	839.4	NA	PeJP	NA	NA
+PJ049814	PPFFFW 	C48H53N7O7	839.4007	NA	PeJP	NA	NA
+PJ049815	GSKKEEY 	C36H57N9O14	839.4025	NA	PeJP	NA	NA
+PJ049816	GGAAPPLEE 	C36H57N9O14	839.4026	NA	PeJP	NA	NA
+PJ049817	APCKKMY 	C37H61N9O9S2	839.4034	NA	PeJP	NA	NA
+PJ049818	VNEHRW 	C37H53N13O10	839.4039	NA	PeJP	NA	NA
+PJ049819	PLMFFW 	C45H57N7O7S	839.4041	NA	PeJP	NA	NA
+PJ049820	SSSSTLKM 	C33H61N9O14S	839.4059	NA	PeJP	NA	NA
+PJ049821	SPPTLYY 	C41H57N7O12	839.4065	NA	PeJP	NA	NA
+PJ049822	GPVLEYY 	C41H57N7O12	839.4066	NA	PeJP	NA	NA
+PJ049823	ATKKMMM 	C34H65N9O9S3	839.4068	NA	PeJP	NA	NA
+PJ049824	SQMRRY 	C34H57N13O10S	839.4072	NA	PeJP	NA	NA
+PJ049825	PPPCDRR 	C34H57N13O10S	839.4073	NA	PeJP	NA	NA
+PJ049826	LLMMFW 	C42H61N7O7S2	839.4074	NA	PeJP	NA	NA
+PJ049827	SPKHWW 	C42H53N11O8	839.4079	NA	PeJP	NA	NA
+PJ049828	ATLLEMY 	C38H61N7O12S	839.4099	NA	PeJP	NA	NA
+PJ049829	GSNNHRR 	C31H53N17O11	839.4111	NA	PeJP	NA	NA
+PJ049830	GKMRYW 	C39H57N11O8S	839.4113	NA	PeJP	NA	NA
+PJ049831	GSTKERY 	C35H57N11O13	839.4138	NA	PeJP	NA	NA
+PJ049832	QKMMFR 	C36H61N11O8S2	839.4146	NA	PeJP	NA	NA
+PJ049833	GEHRRW 	C36H53N15O9	839.4151	NA	PeJP	NA	NA
+PJ049834	SKKEYW 	C40H57N9O11	839.4178	NA	PeJP	NA	NA
+PJ049835	CCCKKKK 	C33H65N11O8S3	839.418	NA	PeJP	NA	NA
+PJ049836	SCRRRY 	C33H57N15O9S	839.4185	NA	PeJP	NA	NA
+PJ049837	GVHRWW 	C41H53N13O7	839.4191	NA	PeJP	NA	NA
+PJ049838	SSPKKMY 	C37H61N9O11S	839.4211	NA	PeJP	NA	NA
+PJ049839	AAKKEMY 	C37H61N9O11S	839.4212	NA	PeJP	NA	NA
+PJ049840	PVLYYW 	C45H57N7O9	839.4218	NA	PeJP	NA	NA
+PJ049841	LMHHFR 	C38H57N13O7S	839.4225	NA	PeJP	NA	NA
+PJ049842	STTTTTTK 	C33H61N9O16	839.4236	NA	PeJP	NA	NA
+PJ049843	TTTKKMM 	C34H65N9O11S2	839.4245	NA	PeJP	NA	NA
+PJ049844	GSTTRRY 	C34H57N13O12	839.425	NA	PeJP	NA	NA
+PJ049845	GPLLMFY 	C42H61N7O9S	839.4252	NA	PeJP	NA	NA
+PJ049846	CKMFRR 	C35H61N13O7S2	839.4259	NA	PeJP	NA	NA
+PJ049847	TTTLLEY 	C38H61N7O14	839.4277	NA	PeJP	NA	NA
+PJ049848	AVLLMMY 	C39H65N7O9S2	839.4285	NA	PeJP	NA	NA
+PJ049849	GLLLMMY 	C39H65N7O9S2	839.4286	NA	PeJP	NA	NA
+PJ049850	STKRYW 	C39H57N11O10	839.429	NA	PeJP	NA	NA
+PJ049851	HRRWW 	C40H53N15O6	839.4304	NA	PeJP	NA	NA
+PJ049852	DKKMRY 	C36H61N11O10S	839.4324	NA	PeJP	NA	NA
+PJ049853	AAPPLWW 	C44H57N9O8	839.433	NA	PeJP	NA	NA
+PJ049854	GPPVVWW 	C44H57N9O8	839.4331	NA	PeJP	NA	NA
+PJ049855	DKEHRR 	C33H57N15O11	839.4362	NA	PeJP	NA	NA
+PJ049856	GGGGSPPRR 	C33H57N15O11	839.4363	NA	PeJP	NA	NA
+PJ049857	CLKKYW 	C41H61N9O8S	839.4364	NA	PeJP	NA	NA
+PJ049858	ATTKKEY 	C37H61N9O13	839.4389	NA	PeJP	NA	NA
+PJ049859	GVKKMMF 	C38H65N9O8S2	839.4398	NA	PeJP	NA	NA
+PJ049860	PPERRW 	C38H57N13O9	839.4403	NA	PeJP	NA	NA
+PJ049861	APTLLYY 	C42H61N7O11	839.4429	NA	PeJP	NA	NA
+PJ049862	SKMRRY 	C35H61N13O9S	839.4436	NA	PeJP	NA	NA
+PJ049863	PPVRWW 	C43H57N11O7	839.4443	NA	PeJP	NA	NA
+PJ049864	STLLLMY 	C39H65N7O11S	839.4463	NA	PeJP	NA	NA
+PJ049865	SEHRRR 	C32H57N17O10	839.4475	NA	PeJP	NA	NA
+PJ049866	SSSLKRY 	C36H61N11O12	839.4501	NA	PeJP	NA	NA
+PJ049867	PPVDKER 	C36H61N11O12	839.4502	NA	PeJP	NA	NA
+PJ049868	KKMMFR 	C37H65N11O7S2	839.451	NA	PeJP	NA	NA
+PJ049869	SVHRRW 	C37H57N15O8	839.4515	NA	PeJP	NA	NA
+PJ049870	APPLKEW 	C41H61N9O10	839.4542	NA	PeJP	NA	NA
+PJ049871	LQMHRR 	C34H61N15O8S	839.4549	NA	PeJP	NA	NA
+PJ049872	GTLKKMY 	C38H65N9O10S	839.4575	NA	PeJP	NA	NA
+PJ049873	VVLLEMH 	C38H65N9O10S	839.4576	NA	PeJP	NA	NA
+PJ049874	VLLFYW 	C46H61N7O8	839.4582	NA	PeJP	NA	NA
+PJ049875	SPPVERR 	C35H61N13O11	839.4614	NA	PeJP	NA	NA
+PJ049876	GLLLMFF 	C43H65N7O8S	839.4616	NA	PeJP	NA	NA
+PJ049877	APPTLRW 	C40H61N11O9	839.4654	NA	PeJP	NA	NA
+PJ049878	CLHRRR 	C33H61N17O7S	839.4661	NA	PeJP	NA	NA
+MJ095933	Platenomycin W1 	C43H69NO15	839.46672	NA	MeJP	NA	NA
+PJ049879	PPVLQMR 	C37H65N11O9S	839.4688	NA	PeJP	NA	NA
+PJ049880	GTTLHRR 	C34H61N15O10	839.4726	NA	PeJP	NA	NA
+PJ049881	STTLKKY 	C38H65N9O12	839.4753	NA	PeJP	NA	NA
+PJ049882	TLKHRW 	C39H61N13O8	839.4766	NA	PeJP	NA	NA
+PJ049883	GGKKKHW 	C39H61N13O8	839.4767	NA	PeJP	NA	NA
+PJ049884	GVLLLYY 	C43H65N7O10	839.4793	NA	PeJP	NA	NA
+PJ049885	APPLMRR 	C36H65N13O8S	839.48	NA	PeJP	NA	NA
+PJ049886	PQQRRR 	C33H61N17O9	839.4839	NA	PeJP	NA	NA
+PJ049887	PPTLKER 	C37H65N11O11	839.4865	NA	PeJP	NA	NA
+PJ049888	GGPVLLER 	C37H65N11O11	839.4866	NA	PeJP	NA	NA
+PJ049889	PKHFRR 	C38H61N15O7	839.4879	NA	PeJP	NA	NA
+PJ049890	SPPLLKW 	C42H65N9O9	839.4906	NA	PeJP	NA	NA
+PJ049891	LKMHRR 	C35H65N15O7S	839.4913	NA	PeJP	NA	NA
+PJ049892	TLLLLMH 	C39H69N9O9S	839.4939	NA	PeJP	NA	NA
+PJ049893	GPLLERR 	C36H65N13O10	839.4978	NA	PeJP	NA	NA
+PJ049894	GPVLLRW 	C41H65N11O8	839.5018	NA	PeJP	NA	NA
+MJ095934	Solacongestidine; Glycoside (2) 	C44H73NO14	839.503106	NA	MeJP	NA	NA
+MJ095935	Viranamycin B 	C44H73NO14	839.503106	NA	MeJP	NA	NA
+PJ049895	PPVLKMR 	C38H69N11O8S	839.5052	NA	PeJP	NA	NA
+PJ049896	GPVQKRR 	C35H65N15O9	839.509	NA	PeJP	NA	NA
+PJ049897	PLLLQKE 	C39H69N9O11	839.5117	NA	PeJP	NA	NA
+PJ049898	PLLRRW 	C40H65N13O7	839.513	NA	PeJP	NA	NA
+PJ049899	PQKRRR 	C34H65N17O8	839.5202	NA	PeJP	NA	NA
+PJ049900	GAPKRRR 	C34H65N17O8	839.5203	NA	PeJP	NA	NA
+PJ049901	PVVLKER 	C38H69N11O10	839.5229	NA	PeJP	NA	NA
+PJ049902	APLLLKW 	C43H69N9O8	839.5269	NA	PeJP	NA	NA
+PJ049903	PVVVLKW 	C43H69N9O8	839.527	NA	PeJP	NA	NA
+PJ049904	SPVLLRR 	C37H69N13O9	839.5342	NA	PeJP	NA	NA
+PJ049905	GPVKKRR 	C36H69N15O8	839.5454	NA	PeJP	NA	NA
+HMDB09605	PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H78NO8P	839.546509	NA	HMDB2010	NA	NA
+HMDB09637	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C49H78NO8P	839.546509	NA	HMDB2010	NA	NA
+HMDB09638	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C49H78NO8P	839.546509	NA	HMDB2010	NA	NA
+HMDB09670	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C49H78NO8P	839.546509	NA	HMDB2010	NA	NA
+HMDB09671	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C49H78NO8P	839.546509	NA	HMDB2010	NA	NA
+HMDB09702	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	C49H78NO8P	839.546509	NA	HMDB2010	NA	NA
+PJ049906	PLLLKKE 	C40H73N9O10	839.5481	NA	PeJP	NA	NA
+PJ049907	PKKRRR 	C35H69N17O7	839.5566	NA	PeJP	NA	NA
+PJ049908	PTLLLKR 	C39H73N11O9	839.5593	NA	PeJP	NA	NA
+EUR688	PC(36:5) [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR983	PC 36:5 [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR688	PC(36:5) [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR983	PC 36:5 [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR688	PC(36:5) [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR983	PC 36:5 [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR688	PC(36:5) [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	Inhousejuil11	NA	NA
+EUR983	PC 36:5 [M-H+acetate]-	C44H78NO8P	839.567607	masses lipides attendues	Inhousejuil11	NA	NA
+PJ049909	APLKKKR 	C38H73N13O8	839.5705	NA	PeJP	NA	NA
+PJ049910	GLLLLRR 	C38H73N13O8	839.5706	NA	PeJP	NA	NA
+PJ049911	LLLLLQK 	C41H77N9O9	839.5845	NA	PeJP	NA	NA
+PJ049912	VVLLLKR 	C40H77N11O8	839.5957	NA	PeJP	NA	NA
+PJ049913	LLLLLKK 	C42H81N9O8	839.6208	NA	PeJP	NA	NA
+HMDB08086	PC(18:1(11Z)/22:2(13Z,16Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08119	PC(18:1(9Z)/22:2(13Z,16Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08151	PC(18:2(9Z,12Z)/22:1(13Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08183	PC(18:3(6Z,9Z,12Z)/22:0)	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08216	PC(18:3(9Z,12Z,15Z)/22:0)	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08277	PC(20:0/20:3(5Z,8Z,11Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08278	PC(20:0/20:3(8Z,11Z,14Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08309	PC(20:1(11Z)/20:2(11Z,14Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08341	PC(20:2(11Z,14Z)/20:1(11Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08373	PC(20:3(5Z,8Z,11Z)/20:0)	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08406	PC(20:3(8Z,11Z,14Z)/20:0)	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08534	PC(22:0/18:3(6Z,9Z,12Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08535	PC(22:0/18:3(9Z,12Z,15Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08565	PC(22:1(13Z)/18:2(9Z,12Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08596	PC(22:2(13Z,16Z)/18:1(11Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB08597	PC(22:2(13Z,16Z)/18:1(9Z))	C48H90NO8P	839.640381	NA	HMDB2010	NA	NA
+HMDB04977	Glucosylceramide (d18:1/26:0)	C50H97NO8	839.721436	NA	HMDB2010	NA	NA
+HMDB04977	Glucosylceramide (d18:1/26:0)	C50H97NO8	839.72144	http://www.hmdb.ca/metabolites/HMDB04977	HMDB	NA	NA
+HMDB04977	Glucosylceramide (d18:1/26:0)	C50H97NO8	839.72144	HMDB04977	PFEM_hmdb_metabocards_official	NA	NA
+3115	adrenocorticotropin hormone fr,:1-14	SYSMEHFRWGKPVG	839.8857	MH2+	Inhouse_peptide	NA	peptide
+7418	coeliac toxic peptide	QLQPFPQPQLPYPQ	839.9245	MH2+	Inhouse_peptide	NA	peptide
+PJ049914	TCCCCCCC 	C25H44N8O10S7	840.1226	NA	PeJP	NA	NA
+PJ049915	GCCCCCCF 	C29H44N8O9S6	840.1556	NA	PeJP	NA	NA
+PJ049916	GSCCCCCY 	C29H44N8O11S5	840.1733	NA	PeJP	NA	NA
+MJ095936	1,5-Di-O-[3,4-bis(3,4-dihydroxyphenyl)-1,2-cyclobutanedicarbonyl]-3,4-di-O-caffeoylquinic acid 	C43H36O18	840.190164	NA	MeJP	NA	NA
+MJ095937	Tetra-O-caffeoylquinic acid 	C43H36O18	840.190164	NA	MeJP	NA	NA
+C10500	1,3,4,5-Tetracaffeoylquinic acid	C43H36O18	840.1902	NA	KEGG	NA	NA
+PJ049917	GSCCCCEH 	C28H44N10O12S4	840.2023	NA	PeJP	NA	NA
+PJ049918	GSCDDDDD 	C28H40N8O20S	840.208	NA	PeJP	NA	NA
+PJ049919	GPCCCDDE 	C29H44N8O15S3	840.2089	NA	PeJP	NA	NA
+PJ049920	SCCCCHW 	C32H44N10O9S4	840.2176	NA	PeJP	NA	NA
+PJ049921	SSSCCCDH 	C28H44N10O14S3	840.2201	NA	PeJP	NA	NA
+PJ049922	CCCNMMH 	C29H48N10O9S5	840.221	NA	PeJP	NA	NA
+PJ049923	PCCCDDW 	C33H44N8O12S3	840.2241	NA	PeJP	NA	NA
+PJ049924	CNDDDEM 	C29H44N8O17S2	840.2266	NA	PeJP	NA	NA
+PJ049925	SPPCCCCE 	C30H48N8O12S4	840.2275	NA	PeJP	NA	NA
+PJ049926	GCCCNNNN 	C27H44N12O13S3	840.2313	NA	PeJP	NA	NA
+PJ049927	GGGGGGGCCCN 	C27H44N12O13S3	840.2314	NA	PeJP	NA	NA
+PJ049928	CCCNDHF 	C32H44N10O11S3	840.2354	NA	PeJP	NA	NA
+PJ049929	CCDDDDR 	C28H44N10O16S2	840.2379	NA	PeJP	NA	NA
+PJ049930	GSTCCCMH 	C29H48N10O11S4	840.2387	NA	PeJP	NA	NA
+MJ095938	?-Viniferin; 6'-O-?-D-Glucopyranoside 	C48H40O14	840.241805	NA	MeJP	NA	NA
+PJ049931	GCDDDMW 	C33H44N8O14S2	840.2419	NA	PeJP	NA	NA
+PJ049932	GSSDDDDM 	C29H44N8O19S	840.2444	NA	PeJP	NA	NA
+PJ049933	GSPCCDEM 	C30H48N8O14S3	840.2453	NA	PeJP	NA	NA
+PJ049934	GPPCCCMM 	C31H52N8O9S5	840.2461	NA	PeJP	NA	NA
+PJ049935	SCCNNDW 	C32H44N10O13S2	840.2531	NA	PeJP	NA	NA
+PJ049936	SSSCNNDD 	C28H44N10O18S	840.2556	NA	PeJP	NA	NA
+PJ049937	SSSSCCMH 	C29H48N10O13S3	840.2565	NA	PeJP	NA	NA
+PJ049938	CCDEWW 	C37H44N8O11S2	840.2571	NA	PeJP	NA	NA
+C06784	Pradimicin A	C40H44N2O18	840.2589	NA	KEGG	NA	NA
+MJ095939	Pradimicin A 	C40H44N2O18	840.258912	NA	MeJP	NA	NA
+PJ049939	SSCDDEW 	C33H44N8O16S	840.2596	NA	PeJP	NA	NA
+PJ049940	SPCCDMW 	C34H48N8O11S3	840.2605	NA	PeJP	NA	NA
+PJ049941	SSSSDDDE 	C29H44N8O21	840.2621	NA	PeJP	NA	NA
+PJ049942	SNDDEMM 	C30H48N8O16S2	840.263	NA	PeJP	NA	NA
+PJ049943	CDDYYY 	C38H44N6O14S	840.2636	NA	PeJP	NA	NA
+PJ049944	PCNDMMM 	C31H52N8O11S4	840.2639	NA	PeJP	NA	NA
+PJ049945	CCCNNER 	C28H48N12O12S3	840.2677	NA	PeJP	NA	NA
+PJ049946	CMMMYY 	C36H52N6O9S4	840.2679	NA	PeJP	NA	NA
+PJ049947	CNNNDDF 	C32H44N10O15S	840.2709	NA	PeJP	NA	NA
+PJ049948	GCCNQMW 	C33H48N10O10S3	840.2717	NA	PeJP	NA	NA
+PJ049949	GGGGACCMW 	C33H48N10O10S3	840.2718	NA	PeJP	NA	NA
+PJ049950	SCDDDMR 	C29H48N10O15S2	840.2742	NA	PeJP	NA	NA
+PJ049951	GGGGGSSCEM 	C29H48N10O15S2	840.2743	NA	PeJP	NA	NA
+MJ095940	Antibiotic A 38533; Antibiotic A 38533A1 	C37H44N8O13S	840.274854	NA	MeJP	NA	NA
+PJ049952	PCCCEMR 	C30H52N10O10S4	840.2751	NA	PeJP	NA	NA
+PJ049953	CCNNNHH 	C30H44N14O11S2	840.2756	NA	PeJP	NA	NA
+PJ049954	GNDDEEY 	C33H44N8O18	840.2774	NA	PeJP	NA	NA
+PJ049955	GSDDMMW 	C34H48N8O13S2	840.2783	NA	PeJP	NA	NA
+PJ049956	APCCMMW 	C35H52N8O8S4	840.2791	NA	PeJP	NA	NA
+PJ049957	GSSSDEEM 	C30H48N8O18S	840.2808	NA	PeJP	NA	NA
+PJ049958	GNEEMMM 	C31H52N8O13S3	840.2816	NA	PeJP	NA	NA
+PJ049959	SCNDEHH 	C31H44N12O14S	840.2821	NA	PeJP	NA	NA
+PJ049960	CDMFYY 	C39H48N6O11S2	840.2823	NA	PeJP	NA	NA
+PJ049961	GCCCNRW 	C32H48N12O9S3	840.283	NA	PeJP	NA	NA
+PJ049962	GSSCCNDR 	C28H48N12O14S2	840.2855	NA	PeJP	NA	NA
+PJ049963	SNNNDDY 	C32H44N10O17	840.2886	NA	PeJP	NA	NA
+PJ049964	SSCNNMW 	C33H48N10O12S2	840.2895	NA	PeJP	NA	NA
+PJ049965	SSSSNNDM 	C29H48N10O17S	840.292	NA	PeJP	NA	NA
+PJ049966	NDDEYW 	C37H44N8O15	840.2926	NA	PeJP	NA	NA
+PJ049967	GGDDEYW 	C37H44N8O15	840.2927	NA	PeJP	NA	NA
+PJ049968	GCDEMMR 	C30H52N10O12S3	840.2929	NA	PeJP	NA	NA
+PJ049969	SCEMWW 	C38H48N8O10S2	840.2935	NA	PeJP	NA	NA
+PJ049970	SSSDEMW 	C34H48N8O15S	840.296	NA	PeJP	NA	NA
+PJ049971	NEMMMW 	C35H52N8O10S3	840.2969	NA	PeJP	NA	NA
+PJ049972	GSCDHHW 	C35H44N12O11S	840.2974	NA	PeJP	NA	NA
+PJ049973	SSSSSEEE 	C30H48N8O20	840.2985	NA	PeJP	NA	NA
+PJ049974	SSQEEMM 	C31H52N8O15S2	840.2994	NA	PeJP	NA	NA
+PJ049975	GSSSDDHH 	C31H44N12O16	840.2999	NA	PeJP	NA	NA
+PJ049976	SDMYYY 	C39H48N6O13S	840.3	NA	PeJP	NA	NA
+PJ049977	PTCQMMM 	C32H56N8O10S4	840.3002	NA	PeJP	NA	NA
+PJ049978	SPNMMMM 	C32H56N8O10S4	840.3003	NA	PeJP	NA	NA
+PJ049979	GNDMMHH 	C32H48N12O11S2	840.3007	NA	PeJP	NA	NA
+PJ049980	GGGGGPPCCH 	C32H48N12O11S2	840.3008	NA	PeJP	NA	NA
+PJ049981	CMMFFY 	C40H52N6O8S3	840.3009	NA	PeJP	NA	NA
+C13254	Mebhydrolin napadisilate	C4H10O	840.3015	NA	KEGG	NA	NA
+C13255	Transferred to D01787	C4H10O	840.3015	NA	KEGG	NA	NA
+C13256	Transferred to D01788	C4H10O	840.3015	NA	KEGG	NA	NA
+C13257	Transferred to D01789	C4H10O	840.3015	NA	KEGG	NA	NA
+C13258	Transferred to D01790	C4H10O	840.3015	NA	KEGG	NA	NA
+C13259	Transferred to D01791	C4H10O	840.3015	NA	KEGG	NA	NA
+C13260	Transferred to D01792	C4H10O	840.3015	NA	KEGG	NA	NA
+C13261	Transferred to D01793	C4H10O	840.3015	NA	KEGG	NA	NA
+C13262	Transferred to D01794	C4H10O	840.3015	NA	KEGG	NA	NA
+C13263	Transferred to D01795	C4H10O	840.3015	NA	KEGG	NA	NA
+C13264	Transferred to D01796	C4H10O	840.3015	NA	KEGG	NA	NA
+C13265	Transferred to D01797	C4H10O	840.3015	NA	KEGG	NA	NA
+C13266	Transferred to D01798	C4H10O	840.3015	NA	KEGG	NA	NA
+C13267	Transferred to D01799	C4H10O	840.3015	NA	KEGG	NA	NA
+C13268	Transferred to D01800	C4H10O	840.3015	NA	KEGG	NA	NA
+PJ049982	GPDDDHW 	C36H44N10O14	840.3039	NA	PeJP	NA	NA
+PJ049983	SCCNQMR 	C29H52N12O11S3	840.3041	NA	PeJP	NA	NA
+PJ049984	ACCNHFF 	C37H48N10O9S2	840.3047	NA	PeJP	NA	NA
+PJ049985	GCCQHFF 	C37H48N10O9S2	840.3048	NA	PeJP	NA	NA
+PJ049986	GSSSSCQW 	C33H48N10O14S	840.3072	NA	PeJP	NA	NA
+PJ049987	GGGSSSTCW 	C33H48N10O14S	840.3073	NA	PeJP	NA	NA
+PJ049988	GDDYWW 	C41H44N8O12	840.3079	NA	PeJP	NA	NA
+PJ049989	CDMMRW 	C34H52N10O9S3	840.3081	NA	PeJP	NA	NA
+PJ049990	PCCFWW 	C42H48N8O7S2	840.3088	NA	PeJP	NA	NA
+PJ049991	GSSSSSSNE 	C29H48N10O19	840.3097	NA	PeJP	NA	NA
+PJ049992	GGGSSSSSSE 	C29H48N10O19	840.3098	NA	PeJP	NA	NA
+PJ049993	SSDDMMR 	C30H52N10O14S2	840.3106	NA	PeJP	NA	NA
+PJ049994	NNNNNDH 	C30H44N14O15	840.3111	NA	PeJP	NA	NA
+C12007	Mureidomycin A	C38H48N8O12S	840.3112	NA	KEGG	NA	NA
+MJ095941	Mureidomycin A 	C38H48N8O12S	840.311239	NA	MeJP	NA	NA
+PJ049995	GSPCEYW 	C38H48N8O12S	840.3113	NA	PeJP	NA	NA
+PJ049996	PTCCMMR 	C31H56N10O9S4	840.3115	NA	PeJP	NA	NA
+PJ049997	GCCEHHR 	C31H48N14O10S2	840.312	NA	PeJP	NA	NA
+PJ049998	GMMMWW 	C39H52N8O7S3	840.3121	NA	PeJP	NA	NA
+PJ049999	GSQEEEY 	C34H48N8O17	840.3138	NA	PeJP	NA	NA
+MJ095942	Albanin H 	C50H48O12	840.314577	NA	MeJP	NA	NA
+MJ095943	Kuwanon M 	C50H48O12	840.314577	NA	MeJP	NA	NA
+PJ050000	GSTEMMW 	C35H52N8O12S2	840.3146	NA	PeJP	NA	NA
+PJ050001	GGGPEMMY 	C35H52N8O12S2	840.3147	NA	PeJP	NA	NA
+PJ050002	GNDDHHF 	C35H44N12O13	840.3151	NA	PeJP	NA	NA
+PJ050003	CDFFFY 	C43H48N6O10S	840.3153	NA	PeJP	NA	NA
+MJ095944	Pyrrolosporin A 	C44H54Cl2N2O10	840.315551	NA	MeJP	NA	NA
+PJ050004	CQMHHW 	C36H48N12O8S2	840.316	NA	PeJP	NA	NA
+PJ050005	GSSTTEEM 	C31H52N8O17S	840.3171	NA	PeJP	NA	NA
+PJ050006	GDKEMMM 	C32H56N8O12S3	840.318	NA	PeJP	NA	NA
+PJ050007	GCNNDRY 	C32H48N12O13S	840.3185	NA	PeJP	NA	NA
+PJ050008	AMMYYY 	C40H52N6O10S2	840.3187	NA	PeJP	NA	NA
+PJ050009	GCNHHHH 	C33H44N16O9S	840.3198	NA	PeJP	NA	NA
+PJ050010	GSSSCNMR 	C29H52N12O13S2	840.3219	NA	PeJP	NA	NA
+PJ050011	NNNMYW 	C37H48N10O11S	840.3225	NA	PeJP	NA	NA
+PJ050012	SSSSSSNW 	C33H48N10O16	840.325	NA	PeJP	NA	NA
+PJ050013	SSCCQKW 	C34H52N10O11S2	840.3259	NA	PeJP	NA	NA
+PJ050014	SPCYWW 	C42H48N8O9S	840.3265	NA	PeJP	NA	NA
+PJ050015	CCHHRW 	C35H48N14O7S2	840.3272	NA	PeJP	NA	NA
+PJ050016	SSSSSQQM 	C30H52N10O16S	840.3284	NA	PeJP	NA	NA
+PJ050017	SQEEYW 	C38H48N8O14	840.329	NA	PeJP	NA	NA
+PJ050018	ASDMMMR 	C31H56N10O11S3	840.3292	NA	PeJP	NA	NA
+PJ050019	GSEMMMR 	C31H56N10O11S3	840.3293	NA	PeJP	NA	NA
+PJ050020	SSCDHHR 	C31H48N14O12S	840.3297	NA	PeJP	NA	NA
+PJ050021	STMMWW 	C39H52N8O9S2	840.3299	NA	PeJP	NA	NA
+MJ095945	Aclacinomycin Y; 12-Hydroxy, 2C-amino 	C42H52N2O16	840.331683	NA	MeJP	NA	NA
+MJ095946	Rudolfomycin 	C42H52N2O16	840.331683	NA	MeJP	NA	NA
+PJ050022	SSTTEMW 	C35H52N8O14S	840.3324	NA	PeJP	NA	NA
+PJ050023	GEFYYY 	C43H48N6O12	840.333	NA	PeJP	NA	NA
+PJ050024	DKMMMW 	C36H56N8O9S3	840.3333	NA	PeJP	NA	NA
+PJ050025	GSSMHHW 	C36H48N12O10S	840.3337	NA	PeJP	NA	NA
+PJ050026	GGGPCQHW 	C36H48N12O10S	840.3338	NA	PeJP	NA	NA
+PJ050027	CMFFFF 	C44H52N6O7S2	840.3339	NA	PeJP	NA	NA
+PJ050028	SSSTTTEE 	C31H52N8O19	840.3349	NA	PeJP	NA	NA
+PJ050029	SSKEEMM 	C32H56N8O14S2	840.3358	NA	PeJP	NA	NA
+PJ050030	SPDDDHR 	C32H48N12O15	840.3362	NA	PeJP	NA	NA
+PJ050031	GGGQQEEH 	C32H48N12O15	840.3363	NA	PeJP	NA	NA
+PJ050032	TTMYYY 	C40H52N6O12S	840.3364	NA	PeJP	NA	NA
+PJ050033	GLQMMMM 	C33H60N8O9S4	840.3366	NA	PeJP	NA	NA
+PJ050034	GGALMMMM 	C33H60N8O9S4	840.3367	NA	PeJP	NA	NA
+PJ050035	GCNNMFR 	C33H52N12O10S2	840.3371	NA	PeJP	NA	NA
+PJ050036	SSSSSCQR 	C29H52N12O15S	840.3396	NA	PeJP	NA	NA
+PJ050037	SDDRYW 	C37H48N10O13	840.3403	NA	PeJP	NA	NA
+PJ050038	SCCNKMR 	C30H56N12O10S3	840.3405	NA	PeJP	NA	NA
+PJ050039	APPCMHW 	C38H52N10O8S2	840.3411	NA	PeJP	NA	NA
+PJ050040	GSSSSCKW 	C34H52N10O13S	840.3436	NA	PeJP	NA	NA
+PJ050041	GGGGGDKMY 	C34H52N10O13S	840.3437	NA	PeJP	NA	NA
+PJ050042	GTEYWW 	C42H48N8O11	840.3443	NA	PeJP	NA	NA
+PJ050043	SMMMRW 	C35H56N10O8S3	840.3445	NA	PeJP	NA	NA
+PJ050044	PPCNHHH 	C35H48N14O9S	840.345	NA	PeJP	NA	NA
+PJ050045	GSSSSSSDK 	C30H52N10O18	840.3461	NA	PeJP	NA	NA
+PJ050046	SSTEMMR 	C31H56N10O13S2	840.347	NA	PeJP	NA	NA
+PJ050047	GNNDEHR 	C31H48N14O14	840.3475	NA	PeJP	NA	NA
+PJ050048	APTTCYW 	C39H52N8O11S	840.3476	NA	PeJP	NA	NA
+PJ050049	VNEMYW 	C39H52N8O11S	840.3477	NA	PeJP	NA	NA
+PJ050050	AAMMMMR 	C32H60N10O8S4	840.3479	NA	PeJP	NA	NA
+PJ050051	FYYYW 	C47H48N6O9	840.3483	NA	PeJP	NA	NA
+PJ050052	GTCMHHR 	C32H52N14O9S2	840.3484	NA	PeJP	NA	NA
+PJ050053	ATTQEEY 	C35H52N8O16	840.3501	NA	PeJP	NA	NA
+PJ050054	GSKEEEY 	C35H52N8O16	840.3502	NA	PeJP	NA	NA
+PJ050055	SSSLMMW 	C36H56N8O11S2	840.351	NA	PeJP	NA	NA
+PJ050056	SSSTHHW 	C36H48N12O12	840.3515	NA	PeJP	NA	NA
+PJ050057	AMFFYY 	C44H52N6O9S	840.3517	NA	PeJP	NA	NA
+PJ050058	CKMHHW 	C37H52N12O7S2	840.3524	NA	PeJP	NA	NA
+PJ050059	SSSSTLEM 	C32H56N8O16S	840.3535	NA	PeJP	NA	NA
+PJ050060	ATKEMMM 	C33H60N8O11S3	840.3544	NA	PeJP	NA	NA
+PJ050061	CDERRY 	C33H52N12O12S	840.3549	NA	PeJP	NA	NA
+PJ050062	SPEHWW 	C41H48N10O10	840.3555	NA	PeJP	NA	NA
+PJ050063	GSSSSSSSR 	C29H52N12O17	840.3574	NA	PeJP	NA	NA
+PJ050064	GSSTCCKR 	C30H56N12O12S2	840.3582	NA	PeJP	NA	NA
+PJ050065	GEMRYW 	C38H52N10O10S	840.3589	NA	PeJP	NA	NA
+PJ050066	TYWWW 	C46H48N8O8	840.3595	NA	PeJP	NA	NA
+PJ050067	GSTEERY 	C34H52N10O15	840.3614	NA	PeJP	NA	NA
+PJ050068	SSCCKKW 	C35H56N10O10S2	840.3623	NA	PeJP	NA	NA
+3131	ester transferases inhibitor	WRMWY	840.3624	celiac toxic	Inhouse_peptide	NA	peptide
+PJ050069	NNDHRW 	C35H48N14O11	840.3627	NA	PeJP	NA	NA
+PJ050070	GGGGDHRW 	C35H48N14O11	840.3628	NA	PeJP	NA	NA
+PJ050071	GVMYWW 	C43H52N8O8S	840.3629	NA	PeJP	NA	NA
+PJ050072	HHHHHH 	C36H44N18O7	840.3641	NA	PeJP	NA	NA
+PJ050073	SSSSSQKM 	C31H56N10O15S	840.3648	NA	PeJP	NA	NA
+PJ050074	SKEEYW 	C39H52N8O13	840.3654	NA	PeJP	NA	NA
+PJ050075	ATTMMMR 	C32H60N10O10S3	840.3656	NA	PeJP	NA	NA
+PJ050076	SSSMHHR 	C32H52N14O11S	840.3661	NA	PeJP	NA	NA
+PJ050077	VQMMFW 	C40H56N8O8S2	840.3663	NA	PeJP	NA	NA
+PJ050078	GQQHWW 	C40H48N12O9	840.3668	NA	PeJP	NA	NA
+PJ050079	TTTTTMW 	C36H56N8O13S	840.3688	NA	PeJP	NA	NA
+PJ050080	GLYYYY 	C44H52N6O11	840.3694	NA	PeJP	NA	NA
+PJ050081	GPKMMMF 	C37H60N8O8S3	840.3697	NA	PeJP	NA	NA
+PJ050082	PDMHRW 	C37H52N12O9S	840.3701	NA	PeJP	NA	NA
+PJ050083	STTTTTTE 	C32H56N8O18	840.3713	NA	PeJP	NA	NA
+PJ050084	TTTKEMM 	C33H60N8O13S2	840.3722	NA	PeJP	NA	NA
+7905	peptide from bovine b-lactoglobulin	WYSLAMA	840.3724	antioxidative	Inhouse_peptide	NA	peptide
+PJ050085	SSSNQRY 	C33H52N12O14	840.3726	NA	PeJP	NA	NA
+PJ050086	GGGGPPDER 	C33H52N12O14	840.3727	NA	PeJP	NA	NA
+PJ050087	GLKMMMM 	C34H64N8O8S4	840.373	NA	PeJP	NA	NA
+PJ050088	CEMFRR 	C34H56N12O9S2	840.3735	NA	PeJP	NA	NA
+PJ050089	MRYWW 	C42H52N10O7S	840.3741	NA	PeJP	NA	NA
+PJ050090	PCLHWW 	C42H52N10O7S	840.3742	NA	PeJP	NA	NA
+PJ050091	SSSSSCKR 	C30H56N12O14S	840.376	NA	PeJP	NA	NA
+PJ050092	STERYW 	C38H52N10O12	840.3766	NA	PeJP	NA	NA
+PJ050093	GGGSSKYW 	C38H52N10O12	840.3767	NA	PeJP	NA	NA
+PJ050094	TCCCKKR 	C31H60N12O9S3	840.3769	NA	PeJP	NA	NA
+PJ050095	AMMFRW 	C39H56N10O7S2	840.3775	NA	PeJP	NA	NA
+MJ095947	3,6,8,14,16-Pentahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranoside], 6,16-di-Ac 	C41H60O18	840.377965	NA	MeJP	NA	NA
+PJ050096	PQHHHW 	C39H48N14O8	840.378	NA	PeJP	NA	NA
+PJ050097	DKEMRY 	C35H56N10O12S	840.38	NA	PeJP	NA	NA
+PJ050098	SSLYWW 	C43H52N8O10	840.3807	NA	PeJP	NA	NA
+PJ050099	NMHHFR 	C36H52N14O8S	840.3814	NA	PeJP	NA	NA
+PJ050100	GSSSSSTTK 	C31H56N10O17	840.3825	NA	PeJP	NA	NA
+PJ050101	TTTTMMR 	C32H60N10O12S2	840.3834	NA	PeJP	NA	NA
+PJ050102	DEEHRR 	C32H52N14O13	840.3839	NA	PeJP	NA	NA
+PJ050103	VDKMYW 	C40H56N8O10S	840.384	NA	PeJP	NA	NA
+PJ050104	PPPVDMW 	C40H56N8O10S	840.3841	NA	PeJP	NA	NA
+PJ050105	AFFFFY 	C48H52N6O8	840.3847	NA	PeJP	NA	NA
+PJ050106	ATTKEEY 	C36H56N8O15	840.3865	NA	PeJP	NA	NA
+PJ050107	PPLQEEE 	C36H56N8O15	840.3866	NA	PeJP	NA	NA
+PJ050108	APTKMMY 	C37H60N8O10S2	840.3874	NA	PeJP	NA	NA
+PJ050109	VDEHRW 	C37H52N12O11	840.3879	NA	PeJP	NA	NA
+PJ050110	SSTTTTLM 	C33H60N8O15S	840.3899	NA	PeJP	NA	NA
+PJ050111	STLKMMM 	C34H64N8O10S3	840.3908	NA	PeJP	NA	NA
+PJ050112	SEMRRY 	C34H56N12O11S	840.3912	NA	PeJP	NA	NA
+PJ050113	TDMRRY 	C34H56N12O11S	840.3913	NA	PeJP	NA	NA
+PJ050114	ALEHWW 	C42H52N10O9	840.3919	NA	PeJP	NA	NA
+PJ050115	GSNDHRR 	C31H52N16O12	840.3951	NA	PeJP	NA	NA
+PJ050116	SVMRYW 	C39H56N10O9S	840.3953	NA	PeJP	NA	NA
+PJ050117	GVFFWW 	C47H52N8O7	840.3959	NA	PeJP	NA	NA
+PJ050118	SSSLERY 	C35H56N10O14	840.3978	NA	PeJP	NA	NA
+PJ050119	LQMMRY 	C36H60N10O9S2	840.3986	NA	PeJP	NA	NA
+PJ050120	GALMMRY 	C36H60N10O9S2	840.3987	NA	PeJP	NA	NA
+PJ050121	SQQHRW 	C36H52N14O10	840.3991	NA	PeJP	NA	NA
+PJ050122	LMHFFF 	C44H56N8O7S	840.3993	NA	PeJP	NA	NA
+PJ050123	SSSSSKKM 	C32H60N10O14S	840.4011	NA	PeJP	NA	NA
+PJ050124	GTTTLYW 	C40H56N8O12	840.4018	NA	PeJP	NA	NA
+PJ050125	TCCKKKM 	C33H64N10O9S3	840.402	NA	PeJP	NA	NA
+PJ050126	AAQQMHR 	C33H56N14O10S	840.4025	NA	PeJP	NA	NA
+PJ050127	VKMMFW 	C41H60N8O7S2	840.4027	NA	PeJP	NA	NA
+PJ050128	GQKHWW 	C41H52N12O8	840.4031	NA	PeJP	NA	NA
+PJ050129	GGAKHWW 	C41H52N12O8	840.4032	NA	PeJP	NA	NA
+PJ050130	GTLKEMY 	C37H60N8O12S	840.4052	NA	PeJP	NA	NA
+PJ050131	PCFRRY 	C38H56N12O8S	840.4065	NA	PeJP	NA	NA
+PJ050132	FFRWW 	C46H52N10O6	840.4072	NA	PeJP	NA	NA
+PJ050133	SSSNKRY 	C34H56N12O13	840.409	NA	PeJP	NA	NA
+PJ050134	GGGGGGGGGPVL 	C34H56N12O13	840.4091	NA	PeJP	NA	NA
+PJ050135	CLMRRY 	C35H60N12O8S2	840.4099	NA	PeJP	NA	NA
+PJ050136	GPTHHHR 	C35H52N16O9	840.4104	NA	PeJP	NA	NA
+PJ050137	LKEEHW 	C39H56N10O11	840.413	NA	PeJP	NA	NA
+PJ050138	GAAPPDKW 	C39H56N10O11	840.4131	NA	PeJP	NA	NA
+PJ050139	NQMHRR 	C32H56N16O9S	840.4137	NA	PeJP	NA	NA
+MJ095948	2,16,20,25-Tetrahydroxycucurbita-1,5,23-triene-3,11,22-trione, 23,24-Dihydro, 2,25-di-O-?-D-glucopyranoside 	C42H64O17	840.41435	NA	MeJP	NA	NA
+MJ095949	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucuronopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H64O17	840.41435	NA	MeJP	NA	NA
+MJ095950	3,21,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C42H64O17	840.41435	NA	MeJP	NA	NA
+MJ095951	Fevicordin F; O25-Me, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H64O17	840.41435	NA	MeJP	NA	NA
+MJ095952	Oleagenin; 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-D-diginoside] 	C42H64O17	840.41435	NA	MeJP	NA	NA
+PJ050140	PKHHHW 	C40H52N14O7	840.4144	NA	PeJP	NA	NA
+MJ095953	Halishigamide B 	C43H60N4O13	840.415688	NA	MeJP	NA	NA
+PJ050141	GTTLMRY 	C36H60N10O11S	840.4164	NA	PeJP	NA	NA
+MJ095954	N-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophyl-N6-[[(2-methylphenyl)amino]carbonyl]-L-lysyl-L-?-aspartyl-N?-methyl-L-phenylalaninamide 	C44H56N8O9	840.417025	NA	MeJP	NA	NA
+PJ050142	PTKFYW 	C44H56N8O9	840.4171	NA	PeJP	NA	NA
+PJ050143	SPPNDRR 	C33H56N14O12	840.4202	NA	PeJP	NA	NA
+PJ050144	GGSPPDRR 	C33H56N14O12	840.4203	NA	PeJP	NA	NA
+PJ050145	TLKMYW 	C41H60N8O9S	840.4204	NA	PeJP	NA	NA
+PJ050146	STTLKEY 	C37H60N8O14	840.4229	NA	PeJP	NA	NA
+PJ050147	GVLKMMY 	C38H64N8O9S2	840.4238	NA	PeJP	NA	NA
+PJ050148	TLEHRW 	C38H56N12O10	840.4243	NA	PeJP	NA	NA
+PJ050149	CNHRRR 	C31H56N18O8S	840.425	NA	PeJP	NA	NA
+PJ050150	GSCKKRY 	C35H60N12O10S	840.4276	NA	PeJP	NA	NA
+PJ050151	GVLEMHR 	C35H60N12O10S	840.4277	NA	PeJP	NA	NA
+PJ050152	SLLHWW 	C43H56N10O8	840.4283	NA	PeJP	NA	NA
+PJ050153	GSTQHRR 	C32H56N16O11	840.4315	NA	PeJP	NA	NA
+PJ050154	AALLMHW 	C40H60N10O8S	840.4317	NA	PeJP	NA	NA
+PJ050155	STTTLRY 	C36H60N10O13	840.4342	NA	PeJP	NA	NA
+PJ050156	LKMMRY 	C37H64N10O8S2	840.435	NA	PeJP	NA	NA
+7578	ACE inhibitor	WSVPQPK	840.435	antioxidative	Inhouse_peptide	NA	peptide
+7897	peptide from human milk b-casein (154-160)	WSVPQPK	840.435	ACE inhibitor	Inhouse_peptide	NA	peptide
+MJ095955	Cus 1 	C39H68O19	840.435479	NA	MeJP	NA	NA
+PJ050157	SQKHRW 	C37H56N14O9	840.4355	NA	PeJP	NA	NA
+PJ050158	SPPLLEW 	C41H60N8O11	840.4382	NA	PeJP	NA	NA
+PJ050159	LEMHRR 	C34H60N14O9S	840.4389	NA	PeJP	NA	NA
+PJ050160	GKKHWW 	C42H56N12O7	840.4395	NA	PeJP	NA	NA
+PJ050161	SSLLKMY 	C38H64N8O11S	840.4415	NA	PeJP	NA	NA
+PJ050162	VVTTKMY 	C38H64N8O11S	840.4416	NA	PeJP	NA	NA
+PJ050163	VLMHRW 	C39H60N12O7S	840.4429	NA	PeJP	NA	NA
+MJ095956	12-Hydroxydaphnetoxin; 12?-form, 12-Benzoyl, 20-hexadecanoyl 	C50H64O11	840.444862	NA	MeJP	NA	NA
+PJ050164	SSLLEHR 	C35H60N12O12	840.4454	NA	PeJP	NA	NA
+PJ050165	AALHHHR 	C36H56N16O8	840.4468	NA	PeJP	NA	NA
+PJ050166	ATTLLHW 	C40H60N10O10	840.4494	NA	PeJP	NA	NA
+PJ050167	GPPCRRR 	C33H60N16O8S	840.4501	NA	PeJP	NA	NA
+MJ095957	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-(6-O-Methyl-?-D-glucuronopyranoside), 28-O-?-D-glucopyranosyl ester 	C43H68O16	840.450736	NA	MeJP	NA	NA
+MJ095958	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[?-D-boivinopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C43H68O16	840.450736	NA	MeJP	NA	NA
+MJ095959	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C43H68O16	840.450736	NA	MeJP	NA	NA
+MJ095960	Polycavernoside B2; 4B-Ac 	C43H68O16	840.450736	NA	MeJP	NA	NA
+MJ095961	Spirost-25(27)-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-xylopyranoside] 	C43H68O16	840.450736	NA	MeJP	NA	NA
+MJ095962	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C43H68O16	840.450736	NA	MeJP	NA	NA
+MJ095963	Halichondramide; 5,6-Dihydro, 7-alcohol 	C44H64N4O12	840.452073	NA	MeJP	NA	NA
+PJ050168	GSKKKMY 	C37H64N10O10S	840.4528	NA	PeJP	NA	NA
+PJ050169	VVKFYW 	C45H60N8O8	840.4534	NA	PeJP	NA	NA
+PJ050170	PPPVVFW 	C45H60N8O8	840.4535	NA	PeJP	NA	NA
+PJ050171	GPVQERR 	C34H60N14O11	840.4566	NA	PeJP	NA	NA
+PJ050172	GGGPLERR 	C34H60N14O11	840.4567	NA	PeJP	NA	NA
+PJ050173	PPVVLMW 	C42H64N8O8S	840.4568	NA	PeJP	NA	NA
+PJ050174	VHHHRR 	C35H56N18O7	840.458	NA	PeJP	NA	NA
+MJ095964	Antibiotic L 156602 	C38H64N8O13	840.459284	NA	MeJP	NA	NA
+MJ095965	Antibiotic MH 563-32F1 	C38H64N8O13	840.459284	NA	MeJP	NA	NA
+MJ095966	Antibiotic PD 124966 	C38H64N8O13	840.459284	NA	MeJP	NA	NA
+PJ050175	PLLLQEE 	C38H64N8O13	840.4593	NA	PeJP	NA	NA
+PJ050176	GPPTKRW 	C39H60N12O9	840.4607	NA	PeJP	NA	NA
+PJ050177	ATLLMHR 	C36H64N12O9S	840.464	NA	PeJP	NA	NA
+PJ050178	PPKKWW 	C44H60N10O7	840.4647	NA	PeJP	NA	NA
+PJ050179	PQERRR 	C33H60N16O10	840.4679	NA	PeJP	NA	NA
+PJ050180	LKMFFR 	C41H64N10O7S	840.4681	NA	PeJP	NA	NA
+PJ050181	SSTKKKY 	C37H64N10O12	840.4705	NA	PeJP	NA	NA
+PJ050182	PVVLEER 	C37H64N10O12	840.4706	NA	PeJP	NA	NA
+PJ050183	PVQRRW 	C38H60N14O8	840.4719	NA	PeJP	NA	NA
+PJ050184	APLLLEW 	C42H64N8O10	840.4746	NA	PeJP	NA	NA
+PJ050185	GPPKMRR 	C35H64N14O8S	840.4753	NA	PeJP	NA	NA
+PJ050186	GPPTLLLM 	C39H68N8O10S	840.478	NA	PeJP	NA	NA
+PJ050187	TTTLLHR 	C36H64N12O11	840.4818	NA	PeJP	NA	NA
+PJ050188	APRRRW 	C37H60N16O7	840.4831	NA	PeJP	NA	NA
+PJ050189	SPPVKKW 	C41H64N10O9	840.4858	NA	PeJP	NA	NA
+MJ095967	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C44H72O15	840.487121	NA	MeJP	NA	NA
+MJ095968	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-3-O-acetyl-?-D-glucopyranoside] 	C44H72O15	840.487121	NA	MeJP	NA	NA
+MJ095969	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranoside] 	C44H72O15	840.487121	NA	MeJP	NA	NA
+PJ050190	SLLLKMH 	C38H68N10O9S	840.4892	NA	PeJP	NA	NA
+PJ050191	GPVKERR 	C35H64N14O10	840.493	NA	PeJP	NA	NA
+PJ050192	PLLLKEE 	C39H68N8O12	840.4957	NA	PeJP	NA	NA
+PJ050193	AVVLHFR 	C40H64N12O8	840.497	NA	PeJP	NA	NA
+PJ050194	AAPLKRW 	C40H64N12O8	840.4971	NA	PeJP	NA	NA
+PJ050195	PPCLKKR 	C37H68N12O8S	840.5004	NA	PeJP	NA	NA
+PJ050196	PKERRR 	C34H64N16O9	840.5043	NA	PeJP	NA	NA
+MJ095970	KM043 	C45H76O12S	840.505748	NA	MeJP	NA	NA
+PJ050197	PTLLLER 	C38H68N10O11	840.5069	NA	PeJP	NA	NA
+PJ050198	GGPLLKKE 	C38H68N10O11	840.507	NA	PeJP	NA	NA
+PJ050199	PVKRRW 	C39H64N14O7	840.5083	NA	PeJP	NA	NA
+PJ050200	SPLLLLW 	C43H68N8O9	840.511	NA	PeJP	NA	NA
+PJ050201	AAPLLLLM 	C40H72N8O9S	840.5143	NA	PeJP	NA	NA
+PJ050202	PTRRRR 	C33H64N18O8	840.5155	NA	PeJP	NA	NA
+PJ050203	APLKKER 	C37H68N12O10	840.5182	NA	PeJP	NA	NA
+PJ050204	GPLLKKW 	C42H68N10O8	840.5222	NA	PeJP	NA	NA
+PJ050205	PVLLLMR 	C39H72N10O8S	840.5256	NA	PeJP	NA	NA
+PJ050206	APTLKRR 	C36H68N14O9	840.5294	NA	PeJP	NA	NA
+PJ050207	LLLLLQE 	C40H72N8O11	840.5321	NA	PeJP	NA	NA
+PJ050208	LLQRRR 	C35H68N16O8	840.5406	NA	PeJP	NA	NA
+PJ050209	GALLRRR 	C35H68N16O8	840.5407	NA	PeJP	NA	NA
+PJ050210	VVLLLER 	C39H72N10O10	840.5433	NA	PeJP	NA	NA
+PJ050211	VVVLLLW 	C44H72N8O8	840.5473	NA	PeJP	NA	NA
+PJ050212	ALLLLLW 	C44H72N8O8	840.5474	NA	PeJP	NA	NA
+PJ050213	VVRRRR 	C34H68N18O7	840.5519	NA	PeJP	NA	NA
+PJ050214	SPLLKKR 	C38H72N12O9	840.5546	NA	PeJP	NA	NA
+PJ050215	GVLLKRR 	C37H72N14O8	840.5658	NA	PeJP	NA	NA
+PJ050216	LLLLLKE 	C41H76N8O10	840.5685	NA	PeJP	NA	NA
+PJ050217	LLKRRR 	C36H72N16O7	840.577	NA	PeJP	NA	NA
+PJ050218	TLLLLLR 	C40H76N10O9	840.5797	NA	PeJP	NA	NA
+PJ050219	VVVLKKR 	C39H76N12O8	840.5909	NA	PeJP	NA	NA
+PJ050220	ALLLKKR 	C39H76N12O8	840.591	NA	PeJP	NA	NA
+PJ050221	VLLLKKK 	C41H80N10O8	840.6161	NA	PeJP	NA	NA
+MJ095971	Stigmast-5-en-3-ol, O-[9Z-Octadecenoyl-(?6)-?-D-glucopyranoside] 	C53H92O7	840.684305	NA	MeJP	NA	NA
+MJ095972	Stigmasta-5,24(28)-dien-3-ol, 3-O-[6-O-Octadecanoyl-?-D-glucopyranoside] 	C53H92O7	840.684305	NA	MeJP	NA	NA
+MJ095973	Stigmasta-7,22-dien-3-ol, O-(6-O-Octadecanoyl-?-D-glucopyranoside) 	C53H92O7	840.684305	NA	MeJP	NA	NA
+HMDB13461	SM(d18:0/26:1(17Z))	C49H97N2O6P	840.708435	NA	HMDB2010	NA	NA
+HMDB11702	TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C54H96O6	840.720703	NA	HMDB2010	NA	NA
+HMDB11709	TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	C54H96O6	840.720703	NA	HMDB2010	NA	NA
+HMDB11711	TG(15:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C54H96O6	840.720703	NA	HMDB2010	NA	NA
+PJ050222	GCCCCCNH 	C27H43N11O10S5	841.1798	NA	PeJP	NA	NA
+PJ050223	CCCDMMH 	C29H47N9O10S5	841.205	NA	PeJP	NA	NA
+PJ050224	CDDDDEM 	C29H43N7O18S2	841.2106	NA	PeJP	NA	NA
+PJ050225	GCCCNNND 	C27H43N11O14S3	841.2153	NA	PeJP	NA	NA
+PJ050226	GGGCCCNND 	C27H43N11O14S3	841.2154	NA	PeJP	NA	NA
+PJ050227	CCCDDHF 	C32H43N9O12S3	841.2194	NA	PeJP	NA	NA
+PJ050228	GSCCNDDE 	C28H43N9O17S2	841.2219	NA	PeJP	NA	NA
+PJ050229	GPCCCNDM 	C29H47N9O12S4	841.2227	NA	PeJP	NA	NA
+PJ050230	GGGPCCCDM 	C29H47N9O12S4	841.2228	NA	PeJP	NA	NA
+PJ050231	CCCCHHH 	C30H43N13O8S4	841.2241	NA	PeJP	NA	NA
+PJ050232	GCCCMYY 	C34H47N7O10S4	841.2268	NA	PeJP	NA	NA
+PJ050233	SCCNDDW 	C32H43N9O14S2	841.2371	NA	PeJP	NA	NA
+PJ050234	PCCCCQW 	C33H47N9O9S4	841.238	NA	PeJP	NA	NA
+PJ050235	SSSCNDDD 	C28H43N9O19S	841.2396	NA	PeJP	NA	NA
+PJ050236	CNNDDMM 	C29H47N9O14S3	841.2405	NA	PeJP	NA	NA
+PJ050237	SCCMMMH 	C30H51N9O9S5	841.2414	NA	PeJP	NA	NA
+PJ050238	PCDDDDY 	C33H43N7O17S	841.2437	NA	PeJP	NA	NA
+PJ050239	STCCCYY 	C34H47N7O12S3	841.2445	NA	PeJP	NA	NA
+PJ050240	SDDDEMM 	C30H47N7O17S2	841.247	NA	PeJP	NA	NA
+PJ050241	PCDDMMM 	C31H51N7O12S4	841.2479	NA	PeJP	NA	NA
+PJ050242	CCCNDER 	C28H47N11O13S3	841.2517	NA	PeJP	NA	NA
+PJ050243	GGGGGGGSCCM 	C28H47N11O13S3	841.2518	NA	PeJP	NA	NA
+PJ050244	CNNDDDF 	C32H43N9O16S	841.2549	NA	PeJP	NA	NA
+PJ050245	GCCNEMW 	C33H47N9O11S3	841.2558	NA	PeJP	NA	NA
+PJ050246	GSSCNDEM 	C29H47N9O16S2	841.2583	NA	PeJP	NA	NA
+PJ050247	GSPCCNMM 	C30H51N9O11S4	841.2591	NA	PeJP	NA	NA
+PJ050248	CCNNDHH 	C30H43N13O12S2	841.2596	NA	PeJP	NA	NA
+PJ050249	GCCCFFY 	C38H47N7O9S3	841.2598	NA	PeJP	NA	NA
+PJ050250	GDDDEEY 	C33H43N7O19	841.2614	NA	PeJP	NA	NA
+PJ050251	PCDDDMF 	C34H47N7O14S2	841.2623	NA	PeJP	NA	NA
+PJ050252	VCDDEMM 	C31H51N7O14S3	841.2656	NA	PeJP	NA	NA
+PJ050253	GDEEMMM 	C31H51N7O14S3	841.2657	NA	PeJP	NA	NA
+PJ050254	SCDDEHH 	C31H43N11O15S	841.2661	NA	PeJP	NA	NA
+PJ050255	GCCCDRW 	C32H47N11O10S3	841.267	NA	PeJP	NA	NA
+PJ050256	GSSCCDDR 	C28H47N11O15S2	841.2695	NA	PeJP	NA	NA
+PJ050257	GPTCCCCR 	C29H51N11O10S4	841.2704	NA	PeJP	NA	NA
+PJ050258	CCNMWW 	C37H47N9O8S3	841.271	NA	PeJP	NA	NA
+PJ050259	SNNDDDY 	C32H43N9O18	841.2726	NA	PeJP	NA	NA
+PJ050260	GGGGSDDDY 	C32H43N9O18	841.2727	NA	PeJP	NA	NA
+PJ050261	SSCNDMW 	C33H47N9O13S2	841.2735	NA	PeJP	NA	NA
+PJ050262	PCCCCKW 	C34H51N9O8S4	841.2744	NA	PeJP	NA	NA
+PJ050263	SSSSNDDM 	C29H47N9O18S	841.276	NA	PeJP	NA	NA
+PJ050264	DDDEYW 	C37H43N7O16	841.2767	NA	PeJP	NA	NA
+PJ050265	SNNDMMM 	C30H51N9O13S3	841.2769	NA	PeJP	NA	NA
+PJ050266	CCQYYY 	C38H47N7O11S2	841.2775	NA	PeJP	NA	NA
+MJ095974	Perdeacylwilfortrine; 2-Benzoyl, 6,8,9,14-tetra-Ac 	C41H47NO18	841.279313	NA	MeJP	NA	NA
+MJ095975	Perdeacylwilfortrine; 6-Benzoyl, 1,8,9,14-tetra-Ac 	C41H47NO18	841.279313	NA	MeJP	NA	NA
+PJ050267	SPDDDMY 	C34H47N7O16S	841.28	NA	PeJP	NA	NA
+PJ050268	DEMMMW 	C35H51N7O11S3	841.2809	NA	PeJP	NA	NA
+PJ050269	SSEEEMM 	C31H51N7O16S2	841.2834	NA	PeJP	NA	NA
+PJ050270	SPDMMMM 	C32H55N7O11S4	841.2843	NA	PeJP	NA	NA
+PJ050271	CCNNNQF 	C32H47N11O12S2	841.2847	NA	PeJP	NA	NA
+PJ050272	GGGGCCNQF 	C32H47N11O12S2	841.2848	NA	PeJP	NA	NA
+PJ050273	GSSSSSCNN 	C28H47N11O17S	841.2872	NA	PeJP	NA	NA
+PJ050274	GGGGGSSSSSC 	C28H47N11O17S	841.2873	NA	PeJP	NA	NA
+PJ050275	SCCNEMR 	C29H51N11O12S3	841.2881	NA	PeJP	NA	NA
+PJ050276	GSTCCWW 	C37H47N9O10S2	841.2888	NA	PeJP	NA	NA
+PJ050277	GSSSSCEW 	C33H47N9O15S	841.2913	NA	PeJP	NA	NA
+PJ050278	GSCQMMW 	C34H51N9O10S3	841.2921	NA	PeJP	NA	NA
+PJ050279	GGGAPCCMF 	C34H51N9O10S3	841.2922	NA	PeJP	NA	NA
+PJ050280	GSSSSSSDE 	C29H47N9O20	841.2938	NA	PeJP	NA	NA
+PJ050281	GSSSNEMM 	C30H51N9O15S2	841.2946	NA	PeJP	NA	NA
+PJ050282	NNNNDDH 	C30H43N13O16	841.2951	NA	PeJP	NA	NA
+PJ050283	DDEMFW 	C38H47N7O13S	841.2953	NA	PeJP	NA	NA
+PJ050284	GNQMMMM 	C31H55N9O10S4	841.2955	NA	PeJP	NA	NA
+PJ050285	SCNNMHH 	C31H47N13O11S2	841.296	NA	PeJP	NA	NA
+PJ050286	GSEEEEY 	C34H47N7O18	841.2978	NA	PeJP	NA	NA
+PJ050287	GPDEMMY 	C35H51N7O13S2	841.2987	NA	PeJP	NA	NA
+PJ050288	GDDDHHF 	C35H43N11O14	841.2991	NA	PeJP	NA	NA
+PJ050289	SCCCDRR 	C28H51N13O11S3	841.2994	NA	PeJP	NA	NA
+PJ050290	CEMHHW 	C36H47N11O9S2	841.3	NA	PeJP	NA	NA
+PJ050291	ATEEMMM 	C32H55N7O13S3	841.302	NA	PeJP	NA	NA
+PJ050292	GCNDDRY 	C32H47N11O14S	841.3025	NA	PeJP	NA	NA
+PJ050293	APMMMMM 	C33H59N7O8S5	841.3029	NA	PeJP	NA	NA
+PJ050294	GSCCMRW 	C33H51N11O9S3	841.3034	NA	PeJP	NA	NA
+PJ050295	GCDHHHH 	C33H43N15O10S	841.3039	NA	PeJP	NA	NA
+PJ050296	CCHFFW 	C41H47N9O7S2	841.304	NA	PeJP	NA	NA
+PJ050297	GSSSCDMR 	C29H51N11O14S2	841.3059	NA	PeJP	NA	NA
+PJ050298	SSSSCWW 	C37H47N9O12S	841.3065	NA	PeJP	NA	NA
+PJ050299	GCNMMMR 	C30H55N11O9S4	841.3067	NA	PeJP	NA	NA
+PJ050300	GGGCMMMR 	C30H55N11O9S4	841.3068	NA	PeJP	NA	NA
+PJ050301	SSSSSSDW 	C33H47N9O17	841.309	NA	PeJP	NA	NA
+PJ050302	SSSNMMW 	C34H51N9O12S2	841.3099	NA	PeJP	NA	NA
+PJ050303	SSSSSQEM 	C30H51N9O17S	841.3124	NA	PeJP	NA	NA
+PJ050304	SEEEYW 	C38H47N7O15	841.313	NA	PeJP	NA	NA
+PJ050305	GPDDEFY 	C38H47N7O15	841.3131	NA	PeJP	NA	NA
+PJ050306	SSQQMMM 	C31H55N9O12S3	841.3133	NA	PeJP	NA	NA
+PJ050307	GSSSCQHH 	C31H47N13O13S	841.3137	NA	PeJP	NA	NA
+PJ050308	GGGGGSPCNH 	C31H47N13O13S	841.3138	NA	PeJP	NA	NA
+PJ050309	PDMMYW 	C39H51N7O10S2	841.3139	NA	PeJP	NA	NA
+PJ050310	AAEEEMY 	C35H51N7O15S	841.3164	NA	PeJP	NA	NA
+PJ050311	PPTCMMY 	C36H55N7O10S3	841.3173	NA	PeJP	NA	NA
+PJ050312	GPCNEHW 	C36H47N11O11S	841.3178	NA	PeJP	NA	NA
+PJ050313	ACCCMRR 	C29H55N13O8S4	841.318	NA	PeJP	NA	NA
+PJ050314	TTTEEMM 	C32H55N7O15S2	841.3198	NA	PeJP	NA	NA
+PJ050315	GSSSNNNY 	C32H47N11O16	841.3202	NA	PeJP	NA	NA
+PJ050316	GGGSSSNNY 	C32H47N11O16	841.3203	NA	PeJP	NA	NA
+MJ095976	Lividomycin A; 6-Phosphate 	C29H56N5O21P	841.32054	NA	MeJP	NA	NA
+PJ050317	GLEMMMM 	C33H59N7O10S4	841.3207	NA	PeJP	NA	NA
+PJ050318	SSTCCRW 	C33H51N11O11S2	841.3211	NA	PeJP	NA	NA
+PJ050319	GGGGGGCCKF 	C33H51N11O11S2	841.3212	NA	PeJP	NA	NA
+PJ050320	GCQYWW 	C41H47N9O9S	841.3218	NA	PeJP	NA	NA
+PJ050321	SSSSSCER 	C29H51N11O16S	841.3236	NA	PeJP	NA	NA
+PJ050322	GSSNEYW 	C37H47N9O14	841.3243	NA	PeJP	NA	NA
+PJ050323	SSCQMMR 	C30H55N11O11S3	841.3245	NA	PeJP	NA	NA
+PJ050324	NNMMFW 	C38H51N9O9S2	841.3251	NA	PeJP	NA	NA
+PJ050325	GGNMMFW 	C38H51N9O9S2	841.3252	NA	PeJP	NA	NA
+PJ050326	GSSSSTMW 	C34H51N9O14S	841.3276	NA	PeJP	NA	NA
+PJ050327	DEEMRY 	C34H51N9O14S	841.3277	NA	PeJP	NA	NA
+PJ050328	PDDFYW 	C42H47N7O12	841.3283	NA	PeJP	NA	NA
+PJ050329	GSCKMMW 	C35H55N9O9S3	841.3285	NA	PeJP	NA	NA
+PJ050330	GCNQHHF 	C35H47N13O10S	841.329	NA	PeJP	NA	NA
+PJ050331	GSSSSSTTE 	C30H51N9O19	841.3301	NA	PeJP	NA	NA
+PJ050332	GSSSDKMM 	C31H55N9O14S2	841.331	NA	PeJP	NA	NA
+PJ050333	GNDDEHR 	C31H47N13O15	841.3315	NA	PeJP	NA	NA
+PJ050334	VDEMYW 	C39H51N7O12S	841.3317	NA	PeJP	NA	NA
+PJ050335	GNKMMMM 	C32H59N9O9S4	841.3319	NA	PeJP	NA	NA
+PJ050336	SCCQKHH 	C32H51N13O10S2	841.3324	NA	PeJP	NA	NA
+PJ050337	PMMMFW 	C40H55N7O7S3	841.3325	NA	PeJP	NA	NA
+PJ050338	PCNHWW 	C40H47N11O8S	841.333	NA	PeJP	NA	NA
+PJ050339	ATTEEEY 	C35H51N7O17	841.3342	NA	PeJP	NA	NA
+PJ050340	APTEMMY 	C36H55N7O12S2	841.335	NA	PeJP	NA	NA
+PJ050341	GVEEMMF 	C36H55N7O12S2	841.3351	NA	PeJP	NA	NA
+PJ050342	NQEEHW 	C36H47N11O13	841.3355	NA	PeJP	NA	NA
+PJ050343	SSCCMRR 	C29H55N13O10S3	841.3357	NA	PeJP	NA	NA
+PJ050344	LMMMMW 	C37H59N7O7S4	841.3359	NA	PeJP	NA	NA
+PJ050345	CCQFRW 	C37H51N11O8S2	841.3364	NA	PeJP	NA	NA
+PJ050346	STLEMMM 	C33H59N7O12S3	841.3384	NA	PeJP	NA	NA
+PJ050347	GSNDMRY 	C33H51N11O13S	841.3389	NA	PeJP	NA	NA
+PJ050348	SSNYWW 	C41H47N9O11	841.3395	NA	PeJP	NA	NA
+PJ050349	GGGGDFFW 	C41H47N9O11	841.3396	NA	PeJP	NA	NA
+PJ050350	GVMMMHH 	C34H55N11O8S3	841.3398	NA	PeJP	NA	NA
+PJ050351	GSMHHHH 	C34H47N15O9S	841.3402	NA	PeJP	NA	NA
+PJ050352	GSSSSMMR 	C30H55N11O13S2	841.3423	NA	PeJP	NA	NA
+PJ050353	SQQMYW 	C38H51N9O11S	841.3429	NA	PeJP	NA	NA
+PJ050354	ACCKMMR 	C31H59N11O8S4	841.3431	NA	PeJP	NA	NA
+PJ050355	SSSSSTTW 	C34H51N9O16	841.3454	NA	PeJP	NA	NA
+PJ050356	SSTCKMW 	C35H55N9O11S2	841.3463	NA	PeJP	NA	NA
+PJ050357	GSNNQHW 	C35H47N13O12	841.3467	NA	PeJP	NA	NA
+PJ050358	NDDHRW 	C35H47N13O12	841.3468	NA	PeJP	NA	NA
+PJ050359	PDMFFW 	C43H51N7O9S	841.3469	NA	PeJP	NA	NA
+PJ050360	SSSSSKEM 	C31H55N9O16S	841.3488	NA	PeJP	NA	NA
+PJ050361	AAPEEYY 	C39H51N7O14	841.3494	NA	PeJP	NA	NA
+PJ050362	SSQKMMM 	C32H59N9O11S3	841.3496	NA	PeJP	NA	NA
+PJ050363	GGSTKMMM 	C32H59N9O11S3	841.3497	NA	PeJP	NA	NA
+PJ050364	SPCNEHR 	C32H51N13O12S	841.3501	NA	PeJP	NA	NA
+PJ050365	GGGGGGGGVMH 	C32H51N13O12S	841.3502	NA	PeJP	NA	NA
+PJ050366	VEMMFW 	C40H55N7O9S2	841.3503	NA	PeJP	NA	NA
+PJ050367	GQEHWW 	C40H47N11O10	841.3508	NA	PeJP	NA	NA
+PJ050368	MMMHHR 	C33H55N13O7S3	841.351	NA	PeJP	NA	NA
+MJ095977	Sulfurmycin F 	C43H55NO16	841.352084	NA	MeJP	NA	NA
+PJ050369	GTLEEMY 	C36H55N7O14S	841.3528	NA	PeJP	NA	NA
+PJ050370	GPLMMMY 	C37H59N7O9S3	841.3537	NA	PeJP	NA	NA
+PJ050371	SCQRYW 	C37H51N11O10S	841.3541	NA	PeJP	NA	NA
+PJ050372	GGGPTMHW 	C37H51N11O10S	841.3542	NA	PeJP	NA	NA
+PJ050373	SSSNERY 	C33H51N11O15	841.3566	NA	PeJP	NA	NA
+PJ050374	GGPPDDER 	C33H51N11O15	841.3567	NA	PeJP	NA	NA
+PJ050375	SVLMMMM 	C34H63N7O9S4	841.357	NA	PeJP	NA	NA
+PJ050376	NQMMRY 	C34H55N11O10S2	841.3575	NA	PeJP	NA	NA
+PJ050377	SSTHHHH 	C34H47N15O11	841.358	NA	PeJP	NA	NA
+PJ050378	GCKYWW 	C42H51N9O8S	841.3582	NA	PeJP	NA	NA
+PJ050379	SSSSSTMR 	C30H55N11O15S	841.36	NA	PeJP	NA	NA
+PJ050380	SSSTQFW 	C38H51N9O13	841.3606	NA	PeJP	NA	NA
+PJ050381	GSSDKYW 	C38H51N9O13	841.3607	NA	PeJP	NA	NA
+PJ050382	SSCKMMR 	C31H59N11O10S3	841.3609	NA	PeJP	NA	NA
+PJ050383	ACNNQHR 	C31H51N15O11S	841.3613	NA	PeJP	NA	NA
+PJ050384	GNNNMHR 	C31H51N15O11S	841.3614	NA	PeJP	NA	NA
+PJ050385	CQKMFW 	C39H55N9O8S2	841.3615	NA	PeJP	NA	NA
+PJ050386	PEHHHW 	C39H47N13O9	841.362	NA	PeJP	NA	NA
+PJ050387	GSQKEMY 	C35H55N9O13S	841.364	NA	PeJP	NA	NA
+PJ050388	GGGPPPTEM 	C35H55N9O13S	841.3641	NA	PeJP	NA	NA
+PJ050389	PVDYYW 	C43H51N7O11	841.3647	NA	PeJP	NA	NA
+PJ050390	PPVMMMH 	C36H59N9O8S3	841.3649	NA	PeJP	NA	NA
+PJ050391	GSPCHRW 	C36H51N13O9S	841.3654	NA	PeJP	NA	NA
+PJ050392	QHWWW 	C44H47N11O7	841.366	NA	PeJP	NA	NA
+PJ050393	SSSSSSSTL 	C31H55N9O18	841.3665	NA	PeJP	NA	NA
+PJ050394	GSSTTKMM 	C32H59N9O13S2	841.3674	NA	PeJP	NA	NA
+PJ050395	GSQEEHR 	C32H51N13O14	841.3679	NA	PeJP	NA	NA
+MJ095978	Senktide 	C40H55N7O11S	841.368026	NA	MeJP	NA	NA
+PJ050396	TLEMYW 	C40H55N7O11S	841.3681	NA	PeJP	NA	NA
+PJ050397	ACKKMMM 	C33H63N9O8S4	841.3683	NA	PeJP	NA	NA
+PJ050398	CNMRRY 	C33H55N13O9S2	841.3687	NA	PeJP	NA	NA
+PJ050399	GGCMRRY 	C33H55N13O9S2	841.3688	NA	PeJP	NA	NA
+PJ050400	CLHHFW 	C41H51N11O7S	841.3694	NA	PeJP	NA	NA
+PJ050401	STTLEEY 	C36H55N7O16	841.3705	NA	PeJP	NA	NA
+PJ050402	TTTLDEY 	C36H55N7O16	841.3706	NA	PeJP	NA	NA
+PJ050403	GVLEMMY 	C37H59N7O11S2	841.3714	NA	PeJP	NA	NA
+PJ050404	GSSSRYW 	C37H51N11O12	841.3719	NA	PeJP	NA	NA
+PJ050405	CCKFRW 	C38H55N11O7S2	841.3728	NA	PeJP	NA	NA
+PJ050406	QHHHHF 	C38H47N15O8	841.3732	NA	PeJP	NA	NA
+PJ050407	GAHHHHF 	C38H47N15O8	841.3733	NA	PeJP	NA	NA
+PJ050408	GSTQMRY 	C34H55N11O12S	841.3753	NA	PeJP	NA	NA
+PJ050409	PPQEWW 	C42H51N9O10	841.3759	NA	PeJP	NA	NA
+PJ050410	GSDDHRR 	C31H51N15O13	841.3791	NA	PeJP	NA	NA
+PJ050411	GGGGGGGGGGPR 	C31H51N15O13	841.3792	NA	PeJP	NA	NA
+PJ050412	SQKMYW 	C39H55N9O10S	841.3793	NA	PeJP	NA	NA
+PJ050413	APCCHRR 	C32H55N15O8S2	841.38	NA	PeJP	NA	NA
+PJ050414	SSTQKEY 	C35H55N9O15	841.3818	NA	PeJP	NA	NA
+PJ050415	LEMMRY 	C36H59N9O10S2	841.3827	NA	PeJP	NA	NA
+PJ050416	SQEHRW 	C36H51N13O11	841.3831	NA	PeJP	NA	NA
+PJ050417	GGGGGSKHW 	C36H51N13O11	841.3832	NA	PeJP	NA	NA
+PJ050418	PVMFYW 	C44H55N7O8S	841.3833	NA	PeJP	NA	NA
+PJ050419	SSSTTTKM 	C32H59N9O15S	841.3852	NA	PeJP	NA	NA
+PJ050420	GPTLEYY 	C40H55N7O13	841.3858	NA	PeJP	NA	NA
+PJ050421	SSKKMMM 	C33H63N9O10S3	841.386	NA	PeJP	NA	NA
+PJ050422	GSTCRRY 	C33H55N13O11S	841.3865	NA	PeJP	NA	NA
+PJ050423	VLMMYW 	C41H59N7O8S2	841.3867	NA	PeJP	NA	NA
+PJ050424	SVQHWW 	C41H51N11O9	841.3871	NA	PeJP	NA	NA
+PJ050425	GKEHWW 	C41H51N11O9	841.3872	NA	PeJP	NA	NA
+C13891	1,2-Didodecanoyl-sn-glycero-3-cytidine-5'-diphosphate	C36H65N3O15P2	841.3891	NA	KEGG	NA	NA
+PJ050426	SSLLEMY 	C37H59N7O13S	841.3892	NA	PeJP	NA	NA
+PJ050427	GLLMMMF 	C38H63N7O8S3	841.3901	NA	PeJP	NA	NA
+PJ050428	SCKRYW 	C38H55N11O9S	841.3905	NA	PeJP	NA	NA
+PJ050429	APPWWW 	C46H51N9O7	841.3912	NA	PeJP	NA	NA
+PJ050430	SSSDKRY 	C34H55N11O14	841.393	NA	PeJP	NA	NA
+PJ050431	GGGGGSPPKE 	C34H55N11O14	841.3931	NA	PeJP	NA	NA
+PJ050432	NKMMRY 	C35H59N11O9S2	841.3939	NA	PeJP	NA	NA
+PJ050433	GVQQHHH 	C35H51N15O10	841.3944	NA	PeJP	NA	NA
+PJ050434	GSTTKYW 	C39H55N9O12	841.397	NA	PeJP	NA	NA
+PJ050435	GPPKEEW 	C39H55N9O12	841.3971	NA	PeJP	NA	NA
+PJ050436	NEMHRR 	C32H55N15O10S	841.3977	NA	PeJP	NA	NA
+PJ050437	GGEMHRR 	C32H55N15O10S	841.3978	NA	PeJP	NA	NA
+PJ050438	CKKMFW 	C40H59N9O7S2	841.3979	NA	PeJP	NA	NA
+PJ050439	GTHRWW 	C40H51N13O8	841.3984	NA	PeJP	NA	NA
+PJ050440	GSKKEMY 	C36H59N9O12S	841.4004	NA	PeJP	NA	NA
+PJ050441	PTLYYW 	C44H55N7O10	841.4011	NA	PeJP	NA	NA
+PJ050442	VNMHRW 	C37H55N13O8S	841.4018	NA	PeJP	NA	NA
+PJ050443	KHWWW 	C45H51N11O6	841.4024	NA	PeJP	NA	NA
+PJ050444	SSSSRRY 	C33H55N13O13	841.4043	NA	PeJP	NA	NA
+PJ050445	GPVLMYY 	C41H59N7O10S	841.4044	NA	PeJP	NA	NA
+PJ050446	GVLEMFF 	C41H59N7O10S	841.4045	NA	PeJP	NA	NA
+PJ050447	APCKMHR 	C34H59N13O8S2	841.4051	NA	PeJP	NA	NA
+PJ050448	QQHHHR 	C34H51N17O9	841.4056	NA	PeJP	NA	NA
+PJ050449	ATLLMMY 	C38H63N7O10S2	841.4078	NA	PeJP	NA	NA
+PJ050450	GPPTERW 	C38H55N11O11	841.4083	NA	PeJP	NA	NA
+PJ050451	CDHRRR 	C31H55N17O9S	841.409	NA	PeJP	NA	NA
+PJ050452	KHHHHF 	C39H51N15O7	841.4096	NA	PeJP	NA	NA
+PJ050453	ASSKMRY 	C35H59N11O11S	841.4116	NA	PeJP	NA	NA
+PJ050454	GSTKMRY 	C35H59N11O11S	841.4117	NA	PeJP	NA	NA
+PJ050455	PPKEWW 	C43H55N9O9	841.4123	NA	PeJP	NA	NA
+PJ050456	GMHRRW 	C36H55N15O7S	841.413	NA	PeJP	NA	NA
+PJ050457	GSTEHRR 	C32H55N15O12	841.4155	NA	PeJP	NA	NA
+PJ050458	SKKMYW 	C40H59N9O9S	841.4157	NA	PeJP	NA	NA
+PJ050459	PVFFFW 	C48H55N7O7	841.4163	NA	PeJP	NA	NA
+PJ050460	SSTKKEY 	C36H59N9O14	841.4182	NA	PeJP	NA	NA
+PJ050461	ASKKMMF 	C37H63N9O9S2	841.419	NA	PeJP	NA	NA
+PJ050462	AAKKMMY 	C37H63N9O9S2	841.4191	NA	PeJP	NA	NA
+PJ050463	SKEHRW 	C37H55N13O10	841.4195	NA	PeJP	NA	NA
+PJ050464	VLMFFW 	C45H59N7O7S	841.4197	NA	PeJP	NA	NA
+PJ050465	AALLEYY 	C41H59N7O12	841.4222	NA	PeJP	NA	NA
+PJ050466	GPPEMRR 	C34H59N13O10S	841.4229	NA	PeJP	NA	NA
+PJ050467	PPTRWW 	C42H55N11O8	841.4235	NA	PeJP	NA	NA
+PJ050468	GAPKHFW 	C42H55N11O8	841.4236	NA	PeJP	NA	NA
+PJ050469	TTTLLMY 	C38H63N7O12S	841.4256	NA	PeJP	NA	NA
+PJ050470	GPPVMRW 	C39H59N11O8S	841.4269	NA	PeJP	NA	NA
+PJ050471	SSTTKRY 	C35H59N11O13	841.4294	NA	PeJP	NA	NA
+PJ050472	APKKMMH 	C36H63N11O8S2	841.4303	NA	PeJP	NA	NA
+PJ050473	STHRRW 	C36H55N15O9	841.4308	NA	PeJP	NA	NA
+PJ050474	SPPVKEW 	C40H59N9O11	841.4334	NA	PeJP	NA	NA
+PJ050475	GGAPLLEW 	C40H59N9O11	841.4335	NA	PeJP	NA	NA
+PJ050476	DKMHRR 	C33H59N15O9S	841.4341	NA	PeJP	NA	NA
+PJ050477	LLHHHW 	C41H55N13O7	841.4348	NA	PeJP	NA	NA
+PJ050478	ATTKKMY 	C37H63N9O11S	841.4368	NA	PeJP	NA	NA
+PJ050479	VVLYYW 	C45H59N7O9	841.4375	NA	PeJP	NA	NA
+PJ050480	PPMRRW 	C38H59N13O7S	841.4382	NA	PeJP	NA	NA
+PJ050481	SPPTERR 	C34H59N13O12	841.4406	NA	PeJP	NA	NA
+PJ050482	GPVEERR 	C34H59N13O12	841.4407	NA	PeJP	NA	NA
+PJ050483	GVLLMFY 	C42H63N7O9S	841.4408	NA	PeJP	NA	NA
+PJ050484	QKHHHR 	C35H55N17O8	841.442	NA	PeJP	NA	NA
+PJ050485	PLLLEEE 	C38H63N7O14	841.4433	NA	PeJP	NA	NA
+PJ050486	AAPLERW 	C39H59N11O10	841.4447	NA	PeJP	NA	NA
+PJ050487	SMHRRR 	C32H59N17O8S	841.4454	NA	PeJP	NA	NA
+MJ095979	Antibiotic S-4C 33 	C42H67NO16	841.445985	NA	MeJP	NA	NA
+MJ095980	Carbomycin 	C42H67NO16	841.445985	NA	MeJP	NA	NA
+PJ050488	PPTLQMR 	C36H63N11O10S	841.448	NA	PeJP	NA	NA
+PJ050489	PPVDKMR 	C36H63N11O10S	841.4481	NA	PeJP	NA	NA
+PJ050490	PLLQWW 	C44H59N9O8	841.4487	NA	PeJP	NA	NA
+PJ050491	PEERRR 	C33H59N15O11	841.4519	NA	PeJP	NA	NA
+PJ050492	APPLKMW 	C41H63N9O8S	841.4521	NA	PeJP	NA	NA
+PJ050493	TTTTKKY 	C37H63N9O13	841.4546	NA	PeJP	NA	NA
+PJ050494	VVLLMMH 	C38H67N9O8S2	841.4554	NA	PeJP	NA	NA
+PJ050495	PVERRW 	C38H59N13O9	841.4559	NA	PeJP	NA	NA
+PJ050496	GTLLLYY 	C42H63N7O11	841.4586	NA	PeJP	NA	NA
+PJ050497	SPPVMRR 	C35H63N13O9S	841.4593	NA	PeJP	NA	NA
+PJ050498	PVVRWW 	C43H59N11O7	841.4599	NA	PeJP	NA	NA
+PJ050499	GSPNRRR 	C32H59N17O10	841.4631	NA	PeJP	NA	NA
+PJ050500	LKKMHW 	C40H63N11O7S	841.4633	NA	PeJP	NA	NA
+PJ050501	APLKEER 	C36H63N11O12	841.4658	NA	PeJP	NA	NA
+PJ050502	VQHFRR 	C37H59N15O8	841.4671	NA	PeJP	NA	NA
+PJ050503	GGLHFRR 	C37H59N15O8	841.4672	NA	PeJP	NA	NA
+PJ050504	GPLLKEW 	C41H63N9O10	841.4698	NA	PeJP	NA	NA
+PJ050505	PPLKKEM 	C38H67N9O10S	841.4732	NA	PeJP	NA	NA
+PJ050506	GVLLFFF 	C46H63N7O8	841.4739	NA	PeJP	NA	NA
+PJ050507	APTLERR 	C35H63N13O11	841.477	NA	PeJP	NA	NA
+PJ050508	GGAPKKER 	C35H63N13O11	841.4771	NA	PeJP	NA	NA
+5465	aurein 3,3,1	FDIVKKIAGHIVSSIG	841.47795	MH2+	Inhouse_peptide	NA	peptide
+PJ050509	AHFRRR 	C36H59N17O7	841.4784	NA	PeJP	NA	NA
+PJ050510	GPTLLRW 	C40H63N11O9	841.4811	NA	PeJP	NA	NA
+MJ095981	Leucomycin A12 	C43H71NO15	841.48237	NA	MeJP	NA	NA
+MJ095982	Leucomycin A14 	C43H71NO15	841.48237	NA	MeJP	NA	NA
+MJ095983	Platenomycin A1 	C43H71NO15	841.48237	NA	MeJP	NA	NA
+MJ095984	Platenomycin A2 	C43H71NO15	841.48237	NA	MeJP	NA	NA
+MJ095985	Platenomycin W3 	C43H71NO15	841.48237	NA	MeJP	NA	NA
+MJ095986	Spirosolan-3-ol, O-[?-D-Xylopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C43H71NO15	841.48237	NA	MeJP	NA	NA
+PJ050511	PPTLKMR 	C37H67N11O9S	841.4844	NA	PeJP	NA	NA
+PJ050512	PLLKWW 	C45H63N9O7	841.4851	NA	PeJP	NA	NA
+PJ050513	GPTQKRR 	C34H63N15O10	841.4883	NA	PeJP	NA	NA
+PJ050514	VLLLQQE 	C38H67N9O12	841.4909	NA	PeJP	NA	NA
+PJ050515	PVLKKEE 	C38H67N9O12	841.491	NA	PeJP	NA	NA
+PJ050516	PQKKRW 	C39H63N13O8	841.4923	NA	PeJP	NA	NA
+PJ050517	GPLLMRR 	C36H67N13O8S	841.4957	NA	PeJP	NA	NA
+MJ095987	Azaspiracid 	C47H71NO12	841.497626	NA	MeJP	NA	NA
+PJ050518	VQQRRR 	C33H63N17O9	841.4995	NA	PeJP	NA	NA
+PJ050519	SPLLKER 	C37H67N11O11	841.5022	NA	PeJP	NA	NA
+PJ050520	VKHFRR 	C38H63N15O7	841.5035	NA	PeJP	NA	NA
+PJ050521	SPVLLKW 	C42H67N9O9	841.5062	NA	PeJP	NA	NA
+PJ050522	PLLLQKM 	C39H71N9O9S	841.5096	NA	PeJP	NA	NA
+PJ050523	AQRRRR 	C32H63N19O8	841.5107	NA	PeJP	NA	NA
+PJ050524	GAARRRR 	C32H63N19O8	841.5108	NA	PeJP	NA	NA
+PJ050525	GVLLERR 	C36H67N13O10	841.5134	NA	PeJP	NA	NA
+PJ050526	LLLLLEE 	C40H71N7O12	841.5161	NA	PeJP	NA	NA
+PJ050527	AVLKKHF 	C41H67N11O8	841.5174	NA	PeJP	NA	NA
+PJ050528	AALLLRW 	C41H67N11O8	841.5175	NA	PeJP	NA	NA
+MJ095988	Mycobactin; Mycobactin J 	C45H71N5O10	841.520093	NA	MeJP	NA	NA
+PJ050529	PVVLKMR 	C38H71N11O8S	841.5208	NA	PeJP	NA	NA
+PJ050530	LLERRR 	C35H67N15O9	841.5247	NA	PeJP	NA	NA
+PJ050531	VLLLQKE 	C39H71N9O11	841.5273	NA	PeJP	NA	NA
+PJ050532	GGILLLKE 	C39H71N9O11	841.5274	NA	PeJP	NA	NA
+PJ050533	VLLRRW 	C40H67N13O7	841.5287	NA	PeJP	NA	NA
+PJ050534	VQKRRR 	C34H67N17O8	841.5359	NA	PeJP	NA	NA
+PJ050535	ALLLKER 	C38H71N11O10	841.5386	NA	PeJP	NA	NA
+PJ050536	GLLLLKW 	C43H71N9O8	841.5426	NA	PeJP	NA	NA
+PJ050537	PLLLKKM 	C40H75N9O8S	841.546	NA	PeJP	NA	NA
+PJ050538	AKRRRR 	C33H67N19O7	841.5471	NA	PeJP	NA	NA
+PJ050539	ATLLLRR 	C37H71N13O9	841.5498	NA	PeJP	NA	NA
+PJ050540	AALKKRR 	C36H71N15O8	841.5611	NA	PeJP	NA	NA
+HMDB09603	PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C49H80NO8P	841.562134	NA	HMDB2010	NA	NA
+HMDB09604	PE(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C49H80NO8P	841.562134	NA	HMDB2010	NA	NA
+HMDB09636	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	C49H80NO8P	841.562134	NA	HMDB2010	NA	NA
+HMDB09669	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	C49H80NO8P	841.562134	NA	HMDB2010	NA	NA
+PJ050541	VLLLKKE 	C40H75N9O10	841.5637	NA	PeJP	NA	NA
+PJ050542	VKKRRR 	C35H71N17O7	841.5723	NA	PeJP	NA	NA
+PJ050543	SLLLLKR 	C39H75N11O9	841.575	NA	PeJP	NA	NA
+EUR693	PC(36:4) [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR978	PC 36:4 [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR693	PC(36:4) [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR978	PC 36:4 [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR693	PC(36:4) [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR978	PC 36:4 [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR693	PC(36:4) [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	Inhousejuil11	NA	NA
+EUR978	PC 36:4 [M-H+acetate]-	C44H80NO8P	841.583257	masses lipides attendues	Inhousejuil11	NA	NA
+PJ050544	GLLKKKR 	C38H75N13O8	841.5862	NA	PeJP	NA	NA
+PJ050545	VVLKKKK 	C40H79N11O8	841.6113	NA	PeJP	NA	NA
+MJ095989	Manzamenone A; Valine amide (S-) 	C51H87NO8	841.643168	NA	MeJP	NA	NA
+HMDB08026	PC(16:1(9Z)/24:1(15Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08053	PC(18:0/22:2(13Z,16Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08085	PC(18:1(11Z)/22:1(13Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08118	PC(18:1(9Z)/22:1(13Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08150	PC(18:2(9Z,12Z)/22:0)	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08276	PC(20:0/20:2(11Z,14Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08308	PC(20:1(11Z)/20:1(11Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08340	PC(20:2(11Z,14Z)/20:0)	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08533	PC(22:0/18:2(9Z,12Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08564	PC(22:1(13Z)/18:1(9Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08595	PC(22:2(13Z,16Z)/18:0)	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB08792	PC(24:1(15Z)/16:1(9Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+HMDB11202	PC(22:1(13Z)/18:1(11Z))	C48H92NO8P	841.656067	NA	HMDB2010	NA	NA
+MJ095990	2-Amino-6-octadecene-1,3,4-triol, N-(2R-Hydroxy-15Z-tetracosenoyl), 1-O-?-D-galactopyranoside 	C48H91NO10	841.664298	NA	MeJP	NA	NA
+MJ095991	Axinellamine A 	C22H23Br4ClN10O4	841.832577	NA	MeJP	NA	NA
+MJ095992	Aerothionin; Homologue, 2''-oxo 	C25H26Br4N4O9	841.843329	NA	MeJP	NA	NA
+PJ050546	CCCCCCCC 	C24H42N8O9S8	842.0841	NA	PeJP	NA	NA
+PJ050547	GCCCCCDH 	C27H42N10O11S5	842.1639	NA	PeJP	NA	NA
+PJ050548	PPCCCCCD 	C29H46N8O11S5	842.189	NA	PeJP	NA	NA
+MJ095993	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C39H39O21(+)	842.190558	NA	MeJP	NA	NA
+MJ095994	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-(6-O-Malonyl-?-D-glucopyranoside), 7-O-[3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C39H39O21(+)	842.190558	NA	MeJP	NA	NA
+MJ095995	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C39H39O21(+)	842.190558	NA	MeJP	NA	NA
+PJ050549	GCCCNNDD 	C27H42N10O15S3	842.1994	NA	PeJP	NA	NA
+PJ050550	GSCCCCMH 	C28H46N10O10S5	842.2002	NA	PeJP	NA	NA
+PJ050551	GSCCDDDE 	C28H42N8O18S2	842.2059	NA	PeJP	NA	NA
+PJ050552	GPCCCDDM 	C29H46N8O13S4	842.2068	NA	PeJP	NA	NA
+MJ095996	Populnin; 6''-O-Malonyl, 3-O-[?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C36H42O23	842.211687	NA	MeJP	NA	NA
+PJ050553	SSTCCCCH 	C28H46N10O12S4	842.218	NA	PeJP	NA	NA
+PJ050554	SCCDDDW 	C32H42N8O15S2	842.2211	NA	PeJP	NA	NA
+PJ050555	PCCCCEW 	C33H46N8O10S4	842.222	NA	PeJP	NA	NA
+PJ050556	SSSCDDDD 	C28H42N8O20S	842.2236	NA	PeJP	NA	NA
+PJ050557	CNDDDMM 	C29H46N8O15S3	842.2245	NA	PeJP	NA	NA
+PJ050558	SPPCCCCM 	C30H50N8O10S5	842.2254	NA	PeJP	NA	NA
+MJ095997	Antibiotic BE 7585A 	C37H46O20S	842.230314	NA	MeJP	NA	NA
+MJ095998	Rhodonocardin A 	C37H46O20S	842.230314	NA	MeJP	NA	NA
+PJ050559	CCCCQHF 	C32H46N10O9S4	842.2332	NA	PeJP	NA	NA
+PJ050560	GACCCCHF 	C32H46N10O9S4	842.2333	NA	PeJP	NA	NA
+PJ050561	GSCCNNDM 	C28H46N10O14S3	842.2357	NA	PeJP	NA	NA
+PJ050562	CCCDDER 	C28H46N10O14S3	842.2358	NA	PeJP	NA	NA
+MJ095999	Benanomicin B; 3'-Hydroxy, 11-O-de-Me, 4A-N-Me 	C39H42N2O19	842.238177	NA	MeJP	NA	NA
+MJ096000	Pradimicin FA 1; N4'-De-Me 	C39H42N2O19	842.238177	NA	MeJP	NA	NA
+PJ050563	CNDDDDF 	C32H42N8O17S	842.2389	NA	PeJP	NA	NA
+PJ050564	GCCDEMW 	C33H46N8O12S3	842.2398	NA	PeJP	NA	NA
+MJ096001	3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan, 3'-(4-Hydroxy-3-methoxybenzoyl), 3-O-?-L-rhamnopyranoside 	C44H42O17	842.242199	NA	MeJP	NA	NA
+PJ050565	GSSCDDEM 	C29H46N8O17S2	842.2423	NA	PeJP	NA	NA
+PJ050566	GSPCCDMM 	C30H50N8O12S4	842.2431	NA	PeJP	NA	NA
+MJ096002	Aurantoside E 	C38H48Cl2N2O15	842.243174	NA	MeJP	NA	NA
+PJ050567	CCNDDHH 	C30H42N12O13S2	842.2436	NA	PeJP	NA	NA
+PJ050568	SCCCNQW 	C32H46N10O11S3	842.251	NA	PeJP	NA	NA
+PJ050569	SSSCCNNE 	C28H46N10O16S2	842.2535	NA	PeJP	NA	NA
+PJ050570	CCNNQMM 	C29H50N10O11S4	842.2544	NA	PeJP	NA	NA
+PJ050571	CCDMWW 	C37H46N8O9S3	842.255	NA	PeJP	NA	NA
+PJ050572	SNDDDDY 	C32H42N8O19	842.2567	NA	PeJP	NA	NA
+MJ096003	Hemsleyanoside D 	C48H42O14	842.257456	NA	MeJP	NA	NA
+MJ096004	Hemsleyanoside E 	C48H42O14	842.257456	NA	MeJP	NA	NA
+MJ096005	Miyabenol C, 3'-O-?-D-Glucopyranoside 	C48H42O14	842.257456	NA	MeJP	NA	NA
+PJ050573	SSCDDMW 	C33H46N8O14S2	842.2575	NA	PeJP	NA	NA
+PJ050574	PTCCCMW 	C34H50N8O9S4	842.2584	NA	PeJP	NA	NA
+PJ050575	SSSSDDDM 	C29H46N8O19S	842.26	NA	PeJP	NA	NA
+PJ050576	SNDDMMM 	C30H50N8O14S3	842.2609	NA	PeJP	NA	NA
+PJ050577	CCEYYY 	C38H46N6O12S2	842.2615	NA	PeJP	NA	NA
+PJ050578	PCCQMMM 	C31H54N8O9S5	842.2618	NA	PeJP	NA	NA
+PJ050579	GSPCCCHH 	C31H46N12O10S3	842.2622	NA	PeJP	NA	NA
+PJ050580	CCCNNMR 	C28H50N12O10S4	842.2656	NA	PeJP	NA	NA
+PJ050581	GSSSCCNW 	C32H46N10O13S2	842.2688	NA	PeJP	NA	NA
+PJ050582	CCCCKHF 	C33H50N10O8S4	842.2696	NA	PeJP	NA	NA
+PJ050583	GSSSSSCND 	C28H46N10O18S	842.2713	NA	PeJP	NA	NA
+PJ050584	SCCDEMR 	C29H50N10O13S3	842.2721	NA	PeJP	NA	NA
+PJ050585	GPCCDYW 	C37H46N8O11S2	842.2728	NA	PeJP	NA	NA
+PJ050586	PCCCMMR 	C30H54N10O8S5	842.273	NA	PeJP	NA	NA
+PJ050587	GNDDEMY 	C33H46N8O16S	842.2753	NA	PeJP	NA	NA
+PJ050588	GSCEMMW 	C34H50N8O11S3	842.2762	NA	PeJP	NA	NA
+PJ050589	ASSTCDEM 	C30H50N8O16S2	842.2786	NA	PeJP	NA	NA
+PJ050590	GSSSDEMM 	C30H50N8O16S2	842.2787	NA	PeJP	NA	NA
+PJ050591	NNNDDDH 	C30H42N12O17	842.2791	NA	PeJP	NA	NA
+PJ050592	GGGGGGDDDH 	C30H42N12O17	842.2792	NA	PeJP	NA	NA
+PJ050593	GNEMMMM 	C31H54N8O11S4	842.2795	NA	PeJP	NA	NA
+PJ050594	SCNDMHH 	C31H46N12O12S2	842.28	NA	PeJP	NA	NA
+PJ050595	GSSCCCQR 	C28H50N12O12S3	842.2834	NA	PeJP	NA	NA
+PJ050596	GCCNNFW 	C36H46N10O10S2	842.284	NA	PeJP	NA	NA
+PJ050597	GCDDDRY 	C32H46N10O15S	842.2865	NA	PeJP	NA	NA
+PJ050598	SCCCNKW 	C33H50N10O10S3	842.2874	NA	PeJP	NA	NA
+PJ050599	SSSSCNQM 	C29H50N10O15S2	842.2899	NA	PeJP	NA	NA
+PJ050600	NDDMYW 	C37H46N8O13S	842.2905	NA	PeJP	NA	NA
+PJ050601	GCDMMMR 	C30H54N10O10S4	842.2908	NA	PeJP	NA	NA
+PJ050602	SCMMWW 	C38H50N8O8S3	842.2914	NA	PeJP	NA	NA
+PJ050603	SSNDEEY 	C33H46N8O18	842.293	NA	PeJP	NA	NA
+PJ050604	SSSDMMW 	C34H50N8O13S2	842.2939	NA	PeJP	NA	NA
+PJ050605	NMMMMW 	C35H54N8O8S4	842.2948	NA	PeJP	NA	NA
+PJ050606	GTCCHHW 	C35H46N12O9S2	842.2952	NA	PeJP	NA	NA
+PJ050607	SSSSSEEM 	C30H50N8O18S	842.2964	NA	PeJP	NA	NA
+PJ050608	SSQEMMM 	C31H54N8O13S3	842.2973	NA	PeJP	NA	NA
+PJ050609	GSSSCEHH 	C31H46N12O14S	842.2978	NA	PeJP	NA	NA
+PJ050610	TCMYYY 	C39H50N6O11S2	842.2979	NA	PeJP	NA	NA
+PJ050611	PCCKMMM 	C32H58N8O8S5	842.2982	NA	PeJP	NA	NA
+PJ050612	GCQMMHH 	C32H50N12O9S3	842.2986	NA	PeJP	NA	NA
+PJ050613	SSSSCCNR 	C28H50N12O14S2	842.3011	NA	PeJP	NA	NA
+PJ050614	GSCNNYW 	C36H46N10O12S	842.3018	NA	PeJP	NA	NA
+PJ050615	CCCCQKR 	C29H54N12O9S4	842.302	NA	PeJP	NA	NA
+PJ050616	GSSSNNDY 	C32H46N10O17	842.3043	NA	PeJP	NA	NA
+PJ050617	SPCCDRY 	C33H50N10O12S2	842.3051	NA	PeJP	NA	NA
+PJ050618	GGGGGNMMY 	C33H50N10O12S2	842.3052	NA	PeJP	NA	NA
+PJ050619	GCEYWW 	C41H46N8O10S	842.3058	NA	PeJP	NA	NA
+PJ050620	GSSSSSSNM 	C29H50N10O17S	842.3076	NA	PeJP	NA	NA
+PJ050621	GSSDEYW 	C37H46N8O15	842.3083	NA	PeJP	NA	NA
+PJ050622	SSCEMMR 	C30H54N10O12S3	842.3085	NA	PeJP	NA	NA
+PJ050623	CNNNNQH 	C30H46N14O13S	842.309	NA	PeJP	NA	NA
+PJ050624	GSPCMYW 	C38H50N8O10S2	842.3092	NA	PeJP	NA	NA
+PJ050625	GCCMHHR 	C31H50N14O8S3	842.3099	NA	PeJP	NA	NA
+PJ050626	GSQEEMY 	C34H50N8O15S	842.3117	NA	PeJP	NA	NA
+PJ050627	GDYYYY 	C42H46N6O13	842.3123	NA	PeJP	NA	NA
+PJ050628	GSTMMMW 	C35H54N8O10S3	842.3125	NA	PeJP	NA	NA
+PJ050629	SSSCHHW 	C35H46N12O11S	842.313	NA	PeJP	NA	NA
+PJ050630	GSSTTEMM 	C31H54N8O15S2	842.315	NA	PeJP	NA	NA
+PJ050631	GDDDEHR 	C31H46N12O16	842.3155	NA	PeJP	NA	NA
+PJ050632	GDKMMMM 	C32H58N8O10S4	842.3159	NA	PeJP	NA	NA
+PJ050633	GCCNQRY 	C32H50N12O11S2	842.3164	NA	PeJP	NA	NA
+PJ050634	PCDHWW 	C40H46N10O9S	842.317	NA	PeJP	NA	NA
+PJ050635	NEEEHW 	C36H46N10O14	842.3195	NA	PeJP	NA	NA
+PJ050636	GGGGGGGDFY 	C36H46N10O14	842.3196	NA	PeJP	NA	NA
+PJ050637	GSSCCCKR 	C29H54N12O11S3	842.3198	NA	PeJP	NA	NA
+PJ050638	CCEFRW 	C37H50N10O9S2	842.3204	NA	PeJP	NA	NA
+PJ050639	CYWWW 	C45H46N8O7S	842.321	NA	PeJP	NA	NA
+PJ050640	GSDDMRY 	C33H50N10O14S	842.3229	NA	PeJP	NA	NA
+PJ050641	SSDYWW 	C41H46N8O12	842.3235	NA	PeJP	NA	NA
+PJ050642	NDDFFW 	C41H46N8O12	842.3236	NA	PeJP	NA	NA
+PJ050643	APCCMRY 	C34H54N10O9S3	842.3238	NA	PeJP	NA	NA
+PJ050644	ACMFWW 	C42H50N8O7S2	842.3244	NA	PeJP	NA	NA
+PJ050645	SSSSSSSSQ 	C29H50N10O19	842.3254	NA	PeJP	NA	NA
+PJ050646	SSSSCNKM 	C30H54N10O14S2	842.3263	NA	PeJP	NA	NA
+PJ050647	GSSNNNNH 	C30H46N14O15	842.3267	NA	PeJP	NA	NA
+PJ050648	GGGGGSSNNH 	C30H46N14O15	842.3268	NA	PeJP	NA	NA
+MJ096006	Mureidomycin A; 5'',6''-Dihydro 	C38H50N8O12S	842.326889	NA	MeJP	NA	NA
+PJ050649	SQEMYW 	C38H50N8O12S	842.3269	NA	PeJP	NA	NA
+PJ050650	GSMMMMR 	C31H58N10O9S4	842.3271	NA	PeJP	NA	NA
+PJ050651	GACCCKKM 	C31H58N10O9S4	842.3272	NA	PeJP	NA	NA
+PJ050652	STCCHHR 	C31H50N14O10S2	842.3276	NA	PeJP	NA	NA
+PJ050653	MMMHFF 	C39H54N8O7S3	842.3278	NA	PeJP	NA	NA
+PJ050654	CNHHFW 	C39H46N12O8S	842.3283	NA	PeJP	NA	NA
+PJ050655	SSTQEEY 	C34H50N8O17	842.3294	NA	PeJP	NA	NA
+PJ050656	SSTTMMW 	C35H54N8O12S2	842.3303	NA	PeJP	NA	NA
+PJ050657	DDDHRW 	C35H46N12O13	842.3308	NA	PeJP	NA	NA
+PJ050658	GMFYYY 	C43H50N6O10S	842.3309	NA	PeJP	NA	NA
+PJ050659	SSSTTTEM 	C31H54N8O17S	842.3328	NA	PeJP	NA	NA
+PJ050660	SSKEMMM 	C32H58N8O12S3	842.3337	NA	PeJP	NA	NA
+PJ050661	SSCNNRY 	C32H50N12O13S	842.3341	NA	PeJP	NA	NA
+PJ050662	GGGGAQEMH 	C32H50N12O13S	842.3342	NA	PeJP	NA	NA
+PJ050663	GEEHWW 	C40H46N10O11	842.3348	NA	PeJP	NA	NA
+PJ050664	PPCCMHR 	C33H54N12O8S3	842.335	NA	PeJP	NA	NA
+MJ096007	Terracinolide A 	C43H54O17	842.3361	NA	MeJP	NA	NA
+MJ096008	Urdamycin A; 4'''-Ketone 	C43H54O17	842.3361	NA	MeJP	NA	NA
+PJ050665	SCERYW 	C37H50N10O11S	842.3382	NA	PeJP	NA	NA
+PJ050666	CCCCKKR 	C30H58N12O8S4	842.3384	NA	PeJP	NA	NA
+PJ050667	SSTDDRY 	C33H50N10O16	842.3406	NA	PeJP	NA	NA
+PJ050668	SSSDERY 	C33H50N10O16	842.3407	NA	PeJP	NA	NA
+PJ050669	NEMMRY 	C34H54N10O11S2	842.3415	NA	PeJP	NA	NA
+PJ050670	GGGGAPPPCM 	C34H54N10O11S2	842.3416	NA	PeJP	NA	NA
+MJ096009	Avileurekanose A 	C36H58O22	842.341973	NA	MeJP	NA	NA
+PJ050671	SPNDHHH 	C34H46N14O12	842.342	NA	PeJP	NA	NA
+PJ050672	GTMYWW 	C42H50N8O9S	842.3422	NA	PeJP	NA	NA
+PJ050673	GSSSSSTCK 	C30H54N10O16S	842.344	NA	PeJP	NA	NA
+PJ050674	GSTTEYW 	C38H50N8O14	842.3447	NA	PeJP	NA	NA
+PJ050675	SSTMMMR 	C31H58N10O11S3	842.3449	NA	PeJP	NA	NA
+PJ050676	GNNDMHR 	C31H50N14O12S	842.3454	NA	PeJP	NA	NA
+PJ050677	VNMMYW 	C39H54N8O9S2	842.3455	NA	PeJP	NA	NA
+PJ050678	GGVMMYW 	C39H54N8O9S2	842.3456	NA	PeJP	NA	NA
+PJ050679	SNNHWW 	C39H46N12O10	842.346	NA	PeJP	NA	NA
+PJ050680	ATTQEMY 	C35H54N8O14S	842.348	NA	PeJP	NA	NA
+PJ050681	GSKEEMY 	C35H54N8O14S	842.3481	NA	PeJP	NA	NA
+PJ050682	ATYYYY 	C43H50N6O12	842.3487	NA	PeJP	NA	NA
+PJ050683	APCKMMY 	C36H58N8O9S3	842.3489	NA	PeJP	NA	NA
+PJ050684	NQQMHW 	C36H50N12O10S	842.3494	NA	PeJP	NA	NA
+PJ050685	EHWWW 	C44H46N10O8	842.35	NA	PeJP	NA	NA
+PJ050686	SSSSTLMM 	C32H58N8O14S2	842.3514	NA	PeJP	NA	NA
+PJ050687	GSEEEHR 	C32H50N12O15	842.3519	NA	PeJP	NA	NA
+PJ050688	ATKMMMM 	C33H62N8O9S4	842.3523	NA	PeJP	NA	NA
+PJ050689	CDMRRY 	C33H54N12O10S2	842.3528	NA	PeJP	NA	NA
+PJ050690	GNNQHHH 	C33H46N16O11	842.3532	NA	PeJP	NA	NA
+PJ050691	GGGGGQHHH 	C33H46N16O11	842.3533	NA	PeJP	NA	NA
+PJ050692	SPMHWW 	C41H50N10O8S	842.3534	NA	PeJP	NA	NA
+PJ050693	DKEEHW 	C37H50N10O13	842.3559	NA	PeJP	NA	NA
+PJ050694	GMMRYW 	C38H54N10O8S2	842.3568	NA	PeJP	NA	NA
+PJ050695	EHHHHF 	C38H46N14O9	842.3573	NA	PeJP	NA	NA
+PJ050696	GSTEMRY 	C34H54N10O13S	842.3593	NA	PeJP	NA	NA
+PJ050697	STTYWW 	C42H50N8O11	842.3599	NA	PeJP	NA	NA
+PJ050698	GGGPDFFF 	C42H50N8O11	842.36	NA	PeJP	NA	NA
+PJ050699	QMMMFR 	C35H58N10O8S3	842.3602	NA	PeJP	NA	NA
+PJ050700	CNQHRW 	C35H50N14O9S	842.3606	NA	PeJP	NA	NA
+PJ050701	SSSSSSSSK 	C30H54N10O18	842.3618	NA	PeJP	NA	NA
+PJ050702	SSSTCCKK 	C31H58N10O13S2	842.3627	NA	PeJP	NA	NA
+PJ050703	SSNNEHR 	C31H50N14O14	842.3631	NA	PeJP	NA	NA
+PJ050704	GGGGGGPNDR 	C31H50N14O14	842.3632	NA	PeJP	NA	NA
+PJ050705	SKEMYW 	C39H54N8O11S	842.3633	NA	PeJP	NA	NA
+PJ050706	CCCKKKM 	C32H62N10O8S4	842.3635	NA	PeJP	NA	NA
+PJ050707	GFFFYY 	C47H50N6O9	842.364	NA	PeJP	NA	NA
+PJ050708	SSTKEEY 	C35H54N8O16	842.3658	NA	PeJP	NA	NA
+PJ050709	AAKEMMY 	C36H58N8O11S2	842.3667	NA	PeJP	NA	NA
+PJ050710	GSTQQHW 	C36H50N12O12	842.3671	NA	PeJP	NA	NA
+PJ050711	SEEHRW 	C36H50N12O12	842.3672	NA	PeJP	NA	NA
+MJ096010	Pyridoxatin; Fe complex 	C45H60FeN3O9	842.367897	NA	MeJP	NA	NA
+PJ050712	STTTTTTM 	C32H58N8O16S	842.3692	NA	PeJP	NA	NA
+PJ050713	TTTKMMM 	C33H62N8O11S3	842.37	NA	PeJP	NA	NA
+PJ050714	AAEEMHR 	C33H54N12O12S	842.3705	NA	PeJP	NA	NA
+PJ050715	GGGGGGGPPCK 	C33H54N12O12S	842.3706	NA	PeJP	NA	NA
+PJ050716	SVEHWW 	C41H50N10O10	842.3712	NA	PeJP	NA	NA
+PJ050717	CMMFRR 	C34H58N12O7S3	842.3714	NA	PeJP	NA	NA
+PJ050718	GPCHHHR 	C34H50N16O8S	842.3719	NA	PeJP	NA	NA
+PJ050719	STMRYW 	C38H54N10O10S	842.3745	NA	PeJP	NA	NA
+PJ050720	GALEMHW 	C38H54N10O10S	842.3746	NA	PeJP	NA	NA
+PJ050721	AAFYWW 	C46H50N8O8	842.3752	NA	PeJP	NA	NA
+PJ050722	SSTTERY 	C34H54N10O15	842.377	NA	PeJP	NA	NA
+PJ050723	PPTDEER 	C34H54N10O15	842.3771	NA	PeJP	NA	NA
+PJ050724	DKMMRY 	C35H58N10O10S2	842.3779	NA	PeJP	NA	NA
+PJ050725	GSSNHRW 	C35H50N14O11	842.3784	NA	PeJP	NA	NA
+PJ050726	PCKFYW 	C43H54N8O8S	842.3786	NA	PeJP	NA	NA
+PJ050727	ATTTTYW 	C39H54N8O13	842.381	NA	PeJP	NA	NA
+PJ050728	SSSTLYW 	C39H54N8O13	842.3811	NA	PeJP	NA	NA
+PJ050729	ASNQMHR 	C32H54N14O11S	842.3817	NA	PeJP	NA	NA
+PJ050730	DEMHRR 	C32H54N14O11S	842.3818	NA	PeJP	NA	NA
+PJ050731	CLKMYW 	C40H58N8O8S2	842.3819	NA	PeJP	NA	NA
+PJ050732	QQHHFF 	C40H50N12O9	842.3824	NA	PeJP	NA	NA
+MJ096011	Respinomycin A1; 7-Deglycosyloxy 	C43H58N2O15	842.383719	NA	MeJP	NA	NA
+PJ050733	ATTKEMY 	C36H58N8O13S	842.3844	NA	PeJP	NA	NA
+PJ050734	GAPPLEEM 	C36H58N8O13S	842.3845	NA	PeJP	NA	NA
+PJ050735	GVKMMMF 	C37H62N8O8S3	842.3853	NA	PeJP	NA	NA
+PJ050736	VDMHRW 	C37H54N12O9S	842.3858	NA	PeJP	NA	NA
+PJ050737	APHFWW 	C45H50N10O7	842.3864	NA	PeJP	NA	NA
+PJ050738	ATTEEHR 	C33H54N12O14	842.3883	NA	PeJP	NA	NA
+PJ050739	SMMRRY 	C34H58N12O9S2	842.3891	NA	PeJP	NA	NA
+PJ050740	PVTCMHR 	C34H58N12O9S2	842.3892	NA	PeJP	NA	NA
+PJ050741	QEHHHR 	C34H50N16O10	842.3896	NA	PeJP	NA	NA
+PJ050742	ALMHWW 	C42H54N10O7S	842.3898	NA	PeJP	NA	NA
+PJ050743	GTTLEHW 	C38H54N10O12	842.3923	NA	PeJP	NA	NA
+PJ050744	GSCQHRR 	C31H54N16O10S	842.393	NA	PeJP	NA	NA
+PJ050745	VQHHHW 	C39H50N14O8	842.3936	NA	PeJP	NA	NA
+MJ096012	Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H62O18	842.393615	NA	MeJP	NA	NA
+PJ050746	GGLHHHW 	C39H50N14O8	842.3937	NA	PeJP	NA	NA
+3707	NA	YPFGFRG	842.394	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ050747	SSSLMRY 	C35H58N10O12S	842.3957	NA	PeJP	NA	NA
+PJ050748	SPKYYW 	C43H54N8O10	842.3963	NA	PeJP	NA	NA
+PJ050749	KMMMFR 	C36H62N10O7S3	842.3965	NA	PeJP	NA	NA
+PJ050750	CNKHRW 	C36H54N14O8S	842.397	NA	PeJP	NA	NA
+PJ050751	GPNDERR 	C32H54N14O13	842.3995	NA	PeJP	NA	NA
+PJ050752	APPLEMW 	C40H58N8O10S	842.3997	NA	PeJP	NA	NA
+PJ050753	TTTTKEY 	C36H58N8O15	842.4022	NA	PeJP	NA	NA
+PJ050754	GTLKMMY 	C37H62N8O10S2	842.4031	NA	PeJP	NA	NA
+PJ050755	PQQERW 	C37H54N12O11	842.4035	NA	PeJP	NA	NA
+PJ050756	GGAAPERW 	C37H54N12O11	842.4036	NA	PeJP	NA	NA
+PJ050757	AHHHRW 	C38H50N16O7	842.4049	NA	PeJP	NA	NA
+PJ050758	GTLEMHR 	C34H58N12O11S	842.4069	NA	PeJP	NA	NA
+PJ050759	TTLHWW 	C42H54N10O9	842.4076	NA	PeJP	NA	NA
+PJ050760	SSSNHRR 	C31H54N16O12	842.4107	NA	PeJP	NA	NA
+PJ050761	GGSSSHRR 	C31H54N16O12	842.4108	NA	PeJP	NA	NA
+PJ050762	LKEMHW 	C39H58N10O9S	842.4109	NA	PeJP	NA	NA
+PJ050763	VHFFFF 	C47H54N8O7	842.4116	NA	PeJP	NA	NA
+PJ050764	TTTTTRY 	C35H58N10O14	842.4134	NA	PeJP	NA	NA
+PJ050765	GGGGPLKEE 	C35H58N10O14	842.4135	NA	PeJP	NA	NA
+PJ050766	ACCKKKY 	C36H62N10O9S2	842.4143	NA	PeJP	NA	NA
+PJ050767	PNDRRW 	C36H54N14O10	842.4148	NA	PeJP	NA	NA
+PJ050768	CLKFFW 	C44H58N8O7S	842.415	NA	PeJP	NA	NA
+PJ050769	LQKEYY 	C40H58N8O12	842.4174	NA	PeJP	NA	NA
+PJ050770	GPLLEEW 	C40H58N8O12	842.4175	NA	PeJP	NA	NA
+PJ050771	SPPCQRR 	C33H58N14O10S	842.4181	NA	PeJP	NA	NA
+PJ050772	GGPPTCRR 	C33H58N14O10S	842.4182	NA	PeJP	NA	NA
+PJ050773	APQRWW 	C41H54N12O8	842.4188	NA	PeJP	NA	NA
+PJ050774	STTLKMY 	C37H62N8O12S	842.4208	NA	PeJP	NA	NA
+PJ050775	TLMHRW 	C38H58N12O8S	842.4222	NA	PeJP	NA	NA
+PJ050776	STTLEHR 	C34H58N12O13	842.4247	NA	PeJP	NA	NA
+PJ050777	GVLMMHR 	C35H62N12O8S2	842.4255	NA	PeJP	NA	NA
+PJ050778	NNHFRR 	C35H54N16O9	842.426	NA	PeJP	NA	NA
+PJ050779	SSTLLHW 	C39H58N10O11	842.4287	NA	PeJP	NA	NA
+PJ050780	GSCKHRR 	C32H58N16O9S	842.4294	NA	PeJP	NA	NA
+MJ096013	1,3,11,22-Tetrahydroxyergosta-5,24-dien-26-oic acid, 26-O-[?-D-Glucopyranosyl-(1?2)-6-acetyl-?-D-glucopyranosyl] ester 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096014	2,3,19-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-?-D-glucopyranosyl ester 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096015	2,3,27-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096016	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-lyxo-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096017	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096018	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-arabino-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096019	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096020	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096021	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-L-ribo-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+MJ096022	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-lyxo-hexopyranoside] 	C42H66O17	842.43	NA	MeJP	NA	NA
+PJ050781	VKHHHW 	C40H54N14O7	842.43	NA	PeJP	NA	NA
+PJ050782	SSCKKKY 	C36H62N10O11S	842.432	NA	PeJP	NA	NA
+PJ050783	PPTLEMR 	C36H62N10O11S	842.4321	NA	PeJP	NA	NA
+PJ050784	PLLEWW 	C44H58N8O9	842.4327	NA	PeJP	NA	NA
+PJ050785	PMHFRR 	C37H58N14O7S	842.4334	NA	PeJP	NA	NA
+PJ050786	GPTQERR 	C33H58N14O12	842.4359	NA	PeJP	NA	NA
+PJ050787	SPPLLMW 	C41H62N8O9S	842.4361	NA	PeJP	NA	NA
+PJ050788	LMMHRR 	C34H62N14O7S2	842.4368	NA	PeJP	NA	NA
+PJ050789	THHHRR 	C34H54N18O8	842.4372	NA	PeJP	NA	NA
+PJ050790	PVLKEEE 	C37H62N8O14	842.4386	NA	PeJP	NA	NA
+PJ050791	AAPPLLMM 	C38H66N8O9S2	842.4395	NA	PeJP	NA	NA
+PJ050792	PQKERW 	C38H58N12O10	842.4399	NA	PeJP	NA	NA
+PJ050793	SSLLMHR 	C35H62N12O10S	842.4433	NA	PeJP	NA	NA
+PJ050794	PVQKWW 	C43H58N10O8	842.4439	NA	PeJP	NA	NA
+PJ050795	GALLHFW 	C43H58N10O8	842.444	NA	PeJP	NA	NA
+PJ050796	GSPDRRR 	C32H58N16O11	842.4471	NA	PeJP	NA	NA
+PJ050797	GGGGGVQRR 	C32H58N16O11	842.4472	NA	PeJP	NA	NA
+PJ050798	GPPKKMW 	C40H62N10O8S	842.4473	NA	PeJP	NA	NA
+PJ050799	SPLLEER 	C36H62N10O13	842.4498	NA	PeJP	NA	NA
+PJ050800	PPVLMMR 	C37H66N10O8S2	842.4507	NA	PeJP	NA	NA
+MJ096023	11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C39H70O19	842.45113	NA	MeJP	NA	NA
+PJ050801	PTQRRW 	C37H58N14O9	842.4512	NA	PeJP	NA	NA
+PJ050802	SPVLLEW 	C41H62N8O11	842.4538	NA	PeJP	NA	NA
+PJ050803	AAPPVLEF 	C41H62N8O11	842.4539	NA	PeJP	NA	NA
+PJ050804	GPVQMRR 	C34H62N14O9S	842.4545	NA	PeJP	NA	NA
+PJ050805	APKRWW 	C42H58N12O7	842.4552	NA	PeJP	NA	NA
+PJ050806	PLLLQEM 	C38H66N8O11S	842.4572	NA	PeJP	NA	NA
+PJ050807	NNQRRR 	C31H58N18O10	842.4584	NA	PeJP	NA	NA
+PJ050808	SPVQKER 	C35H62N12O12	842.461	NA	PeJP	NA	NA
+PJ050809	GPKKEER 	C35H62N12O12	842.4611	NA	PeJP	NA	NA
+PJ050810	GPVKKEW 	C40H62N10O10	842.4651	NA	PeJP	NA	NA
+PJ050811	PQMRRR 	C33H62N16O8S	842.4658	NA	PeJP	NA	NA
+MJ096024	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside, 15-O-?-D-glucopyranoside 	C43H70O16	842.466386	NA	MeJP	NA	NA
+MJ096025	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-L-arabinopyranoside, 15-O-?-D-glucopyranoside 	C43H70O16	842.466386	NA	MeJP	NA	NA
+MJ096026	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-lyxopyranoside, 15-O-?-D-glucopyranoside 	C43H70O16	842.466386	NA	MeJP	NA	NA
+MJ096027	16,23-Epoxycycloartane-3,15,16,24,25-pentol, 24-Ac, 3-O-?-D-xylopyranoside, 15-O-?-D-glucopyranoside 	C43H70O16	842.466386	NA	MeJP	NA	NA
+MJ096028	Spirostan-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside] 	C43H70O16	842.466386	NA	MeJP	NA	NA
+MJ096029	Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-xylopyranoside] 	C43H70O16	842.466386	NA	MeJP	NA	NA
+PJ050812	TTLLKMH 	C37H66N10O10S	842.4684	NA	PeJP	NA	NA
+PJ050813	PVVLEMR 	C37H66N10O10S	842.4685	NA	PeJP	NA	NA
+PJ050814	APPLLFW 	C45H62N8O8	842.4691	NA	PeJP	NA	NA
+PJ050815	GPTKERR 	C34H62N14O11	842.4723	NA	PeJP	NA	NA
+PJ050816	APLLLMW 	C42H66N8O8S	842.4725	NA	PeJP	NA	NA
+PJ050817	VLLLQEE 	C38H66N8O13	842.475	NA	PeJP	NA	NA
+PJ050818	PKKERW 	C39H62N12O9	842.4763	NA	PeJP	NA	NA
+PJ050819	PCRRRR 	C32H62N18O7S	842.477	NA	PeJP	NA	NA
+PJ050820	SPPKKMR 	C36H66N12O9S	842.4797	NA	PeJP	NA	NA
+PJ050821	PVKKWW 	C44H62N10O7	842.4803	NA	PeJP	NA	NA
+PJ050822	VQERRR 	C33H62N16O10	842.4835	NA	PeJP	NA	NA
+PJ050823	ALLLEER 	C37H66N10O12	842.4862	NA	PeJP	NA	NA
+PJ050824	PTKRRW 	C38H62N14O8	842.4875	NA	PeJP	NA	NA
+PJ050825	GGVLRRW 	C38H62N14O8	842.4876	NA	PeJP	NA	NA
+PJ050826	GLLLLEW 	C42H66N8O10	842.4902	NA	PeJP	NA	NA
+PJ050827	GPVKMRR 	C35H66N14O8S	842.4909	NA	PeJP	NA	NA
+PJ050828	PLLLKEM 	C39H70N8O10S	842.4936	NA	PeJP	NA	NA
+PJ050829	AERRRR 	C32H62N18O9	842.4948	NA	PeJP	NA	NA
+PJ050830	SPVKKER 	C36H66N12O11	842.4974	NA	PeJP	NA	NA
+PJ050831	GGAILKER 	C36H66N12O11	842.4975	NA	PeJP	NA	NA
+PJ050832	GLRRRW 	C37H62N16O7	842.4988	NA	PeJP	NA	NA
+PJ050833	APTLKKW 	C41H66N10O9	842.5015	NA	PeJP	NA	NA
+PJ050834	PKMRRR 	C34H66N16O7S	842.5022	NA	PeJP	NA	NA
+MJ096030	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside] 	C44H74O15	842.502771	NA	MeJP	NA	NA
+PJ050835	PTLLLMR 	C38H70N10O9S	842.5048	NA	PeJP	NA	NA
+PJ050836	LLLLWW 	C46H66N8O7	842.5055	NA	PeJP	NA	NA
+PJ050837	AALKERR 	C35H66N14O10	842.5087	NA	PeJP	NA	NA
+PJ050838	SSPTIILL 	C39H70N8O12	842.5113	NA	PeJP	NA	NA
+PJ050839	VLLLKEE 	C39H70N8O12	842.5114	NA	PeJP	NA	NA
+PJ050840	LLQKRW 	C40H66N12O8	842.5127	NA	PeJP	NA	NA
+MJ096031	Foromacidin A 	C43H74N2O14	842.514005	NA	MeJP	NA	NA
+PJ050841	APLKKMR 	C37H70N12O8S	842.5161	NA	PeJP	NA	NA
+PJ050842	VKERRR 	C34H66N16O9	842.5199	NA	PeJP	NA	NA
+PJ050843	SLLLLER 	C38H70N10O11	842.5226	NA	PeJP	NA	NA
+PJ050844	VVKRRW 	C39H66N14O7	842.5239	NA	PeJP	NA	NA
+PJ050845	SVLLLLW 	C43H70N8O9	842.5266	NA	PeJP	NA	NA
+PJ050846	LLLLLQM 	C40H74N8O9S	842.53	NA	PeJP	NA	NA
+PJ050847	SLRRRR 	C33H66N18O8	842.5311	NA	PeJP	NA	NA
+PJ050848	GLLKKER 	C37H70N12O10	842.5338	NA	PeJP	NA	NA
+PJ050849	AVVLKKW 	C42H70N10O8	842.5378	NA	PeJP	NA	NA
+PJ050850	GVLLKKW 	C42H70N10O8	842.5379	NA	PeJP	NA	NA
+MJ096032	Portmicin; 12-Methyl 	C45H78O14	842.539157	NA	MeJP	NA	NA
+PJ050851	VVLLLMR 	C39H74N10O8S	842.5412	NA	PeJP	NA	NA
+PJ050852	GTLLKRR 	C36H70N14O9	842.5451	NA	PeJP	NA	NA
+PJ050853	GTTLLLLL 	C40H74N8O11	842.5477	NA	PeJP	NA	NA
+PJ050854	LLKKRW 	C41H70N12O7	842.5491	NA	PeJP	NA	NA
+PJ050855	QKKKRR 	C35H70N16O8	842.5563	NA	PeJP	NA	NA
+PJ050856	VVLKKKE 	C39H74N10O10	842.559	NA	PeJP	NA	NA
+PJ050857	PLLLLKF 	C44H74N8O8	842.563	NA	PeJP	NA	NA
+PJ050858	LLLLLKM 	C41H78N8O8S	842.5664	NA	PeJP	NA	NA
+PJ050859	SVLLKKR 	C38H74N12O9	842.5702	NA	PeJP	NA	NA
+PJ050860	GVKKKKR 	C37H74N14O8	842.5814	NA	PeJP	NA	NA
+PJ050861	KKKKRR 	C36H74N16O7	842.5927	NA	PeJP	NA	NA
+PJ050862	TLLLKKK 	C40H78N10O9	842.5954	NA	PeJP	NA	NA
+PJ050863	ALKKKKK 	C39H78N12O8	842.6066	NA	PeJP	NA	NA
+EUR1113	SM(d18:1/22:3) [M-H+acetate]-	C45H87N2O6P	842.651276	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1113	SM(d18:1/22:3) [M-H+acetate]-	C45H87N2O6P	842.651276	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1113	SM(d18:1/22:3) [M-H+acetate]-	C45H87N2O6P	842.651276	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1113	SM(d18:1/22:3) [M-H+acetate]-	C45H87N2O6P	842.651276	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096033	Amphicerebrosides; Amphicerebroside B 	C48H94N2O9	842.695932	NA	MeJP	NA	NA
+MJ096034	Amphicerebrosides; Amphicerebroside C 	C48H94N2O9	842.695932	NA	MeJP	NA	NA
+HMDB11701	TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6]	C54H98O6	842.736328	NA	HMDB2010	NA	NA
+HMDB11704	TG(15:0/18:0/18:3(9Z,12Z,15Z))[iso6]	C54H98O6	842.736328	NA	HMDB2010	NA	NA
+HMDB11708	TG(15:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C54H98O6	842.736328	NA	HMDB2010	NA	NA
+3930	aurein 2,4	GLFDIVKKVVGTIAGLG	842.9954	MH2+	Inhouse_peptide	NA	peptide
+3934	aurein 2,6,	GLFDIAKKVIGVIGSLG	842.99595	MH2+	Inhouse_peptide	NA	peptide
+5472	aurein 2,6	GLFDIAKKVIGVIGSLG	842.99595	MH2+	Inhouse_peptide	NA	peptide
+PJ050864	GCCCNDDD 	C27H41N9O16S3	843.1834	NA	PeJP	NA	NA
+PJ050865	CCCCCFY 	C33H45N7O9S5	843.1883	NA	PeJP	NA	NA
+FL7AAAGL0036	Monodemalonylsalvianin	C39H39O21	843.19838	128508-43-0	knapsack	NA	NA
+FL7AAAGL0040	Pelargonidin 3-(6''-malonylglucoside)-7-(6'''-caffeylglucoside)	C39H39O21	843.19838	165070-67-7	knapsack	NA	NA
+FL7AACGL0053	Malonylshisonin	C39H39O21	843.19838	129932-00-9	knapsack	NA	NA
+MetaCyc04178	monodemalonylsalvianin [4'''-demalonylsalvianin;]	C39H39O21	843.198383	NA	metacyc	NA	NA
+C12641	4'''-Demalonylsalvianin	C39H39O21	843.1984	NA	KEGG	NA	NA
+C16299	Malonylshisonin	C39H39O21	843.1984	NA	KEGG	NA	NA
+PJ050866	SPCCCCND 	C28H45N9O13S4	843.202	NA	PeJP	NA	NA
+PJ050867	SCCCCYY 	C33H45N7O11S4	843.206	NA	PeJP	NA	NA
+PJ050868	CDDDDMM 	C29H45N7O16S3	843.2085	NA	PeJP	NA	NA
+PJ050869	GCCCCNNQ 	C27H45N11O12S4	843.2132	NA	PeJP	NA	NA
+PJ050870	GGGGGCCCCQ 	C27H45N11O12S4	843.2133	NA	PeJP	NA	NA
+PJ050871	CCCCEHF 	C32H45N9O10S4	843.2173	NA	PeJP	NA	NA
+PJ050872	GSCCNDDM 	C28H45N9O15S3	843.2198	NA	PeJP	NA	NA
+PJ050873	GPCCCCQM 	C29H49N9O10S5	843.2206	NA	PeJP	NA	NA
+MJ096035	Benanomicin A; 12-Hydroxy 	C39H41NO20	843.222192	NA	MeJP	NA	NA
+MJ096036	Benanomicin A; 7-Hydroxy 	C39H41NO20	843.222192	NA	MeJP	NA	NA
+PJ050874	CDDDDDF 	C32H41N7O18S	843.2229	NA	PeJP	NA	NA
+PJ050875	CCDDDHH 	C30H41N11O14S2	843.2276	NA	PeJP	NA	NA
+PJ050876	SSCCCNNN 	C27H45N11O14S3	843.231	NA	PeJP	NA	NA
+PJ050877	GPCCCCCR 	C28H49N11O9S5	843.2319	NA	PeJP	NA	NA
+PJ050878	SCCCNEW 	C32H45N9O12S3	843.235	NA	PeJP	NA	NA
+PJ050879	SSSCCNDE 	C28H45N9O17S2	843.2375	NA	PeJP	NA	NA
+PJ050880	CCNNEMM 	C29H49N9O12S4	843.2384	NA	PeJP	NA	NA
+C11438	C-1027 Chromophore	C43H42ClN3O13	843.2406	NA	KEGG	NA	NA
+C11439	Formyl-L-methionyl peptide	C12H17N4O6SR3	843.2406	NA	KEGG	NA	NA
+C11440	Methionyl peptide	C11H17N4O5SR3	843.2406	NA	KEGG	NA	NA
+PJ050881	SDDDDDY 	C32H41N7O20	843.2407	NA	PeJP	NA	NA
+PJ050882	PCCDDEY 	C33H45N7O15S2	843.2415	NA	PeJP	NA	NA
+PJ050883	SDDDMMM 	C30H49N7O15S3	843.2449	NA	PeJP	NA	NA
+PJ050884	PCCEMMM 	C31H53N7O10S5	843.2458	NA	PeJP	NA	NA
+PJ050885	CCCNDMR 	C28H49N11O11S4	843.2496	NA	PeJP	NA	NA
+PJ050886	GSCCCWW 	C36H45N9O9S3	843.2503	NA	PeJP	NA	NA
+PJ050887	GSSSCCDW 	C32H45N9O14S2	843.2528	NA	PeJP	NA	NA
+PJ050888	GCCNMMW 	C33H49N9O9S4	843.2536	NA	PeJP	NA	NA
+PJ050889	GGGCCMMW 	C33H49N9O9S4	843.2537	NA	PeJP	NA	NA
+PJ050890	GSSSSSCDD 	C28H45N9O19S	843.2553	NA	PeJP	NA	NA
+PJ050891	GSSCNDMM 	C29H49N9O14S3	843.2561	NA	PeJP	NA	NA
+PJ050892	GGGSSCDMM 	C29H49N9O14S3	843.2562	NA	PeJP	NA	NA
+PJ050893	GPCCCCKM 	C30H53N9O9S5	843.257	NA	PeJP	NA	NA
+PJ050894	CCCNQHH 	C30H45N13O10S3	843.2575	NA	PeJP	NA	NA
+PJ050895	GDDDEMY 	C33H45N7O17S	843.2593	NA	PeJP	NA	NA
+PJ050896	PCCDEMF 	C34H49N7O12S3	843.2602	NA	PeJP	NA	NA
+PJ050897	NNDDDDH 	C30H41N11O18	843.2631	NA	PeJP	NA	NA
+PJ050898	GGNDDDDH 	C30H41N11O18	843.2632	NA	PeJP	NA	NA
+PJ050899	GDEMMMM 	C31H53N7O12S4	843.2635	NA	PeJP	NA	NA
+PJ050900	CCNNNNY 	C31H45N11O13S2	843.264	NA	PeJP	NA	NA
+PJ050901	ACCCCRW 	C32H49N11O8S4	843.2649	NA	PeJP	NA	NA
+PJ050902	GSSCCCER 	C28H49N11O13S3	843.2674	NA	PeJP	NA	NA
+PJ050903	GCCNDFW 	C36H45N9O11S2	843.268	NA	PeJP	NA	NA
+PJ050904	SCNNDEY 	C32H45N9O16S	843.2705	NA	PeJP	NA	NA
+PJ050905	SSCCQMW 	C33H49N9O11S3	843.2714	NA	PeJP	NA	NA
+PJ050906	SSSSCNEM 	C29H49N9O16S2	843.2739	NA	PeJP	NA	NA
+PJ050907	DDDMYW 	C37H45N7O14S	843.2746	NA	PeJP	NA	NA
+PJ050908	SCNQMMM 	C30H53N9O11S4	843.2748	NA	PeJP	NA	NA
+PJ050909	GSSCCNHH 	C30H45N13O12S2	843.2752	NA	PeJP	NA	NA
+PJ050910	GGGSSCCHH 	C30H45N13O12S2	843.2753	NA	PeJP	NA	NA
+PJ050911	STDDDEY 	C33H45N7O19	843.277	NA	PeJP	NA	NA
+PJ050912	SSDDEEY 	C33H45N7O19	843.2771	NA	PeJP	NA	NA
+PJ050913	SPCDEMY 	C34H49N7O14S2	843.2779	NA	PeJP	NA	NA
+PJ050914	DMMMMW 	C35H53N7O9S4	843.2788	NA	PeJP	NA	NA
+PJ050915	SSEEMMM 	C31H53N7O14S3	843.2813	NA	PeJP	NA	NA
+PJ050916	GSPCNDDH 	C31H45N11O15S	843.2818	NA	PeJP	NA	NA
+PJ050917	PTCMMMM 	C32H57N7O9S5	843.2822	NA	PeJP	NA	NA
+PJ050918	SSCCCRW 	C32H49N11O10S3	843.2826	NA	PeJP	NA	NA
+PJ050919	GGAPPCCCH 	C32H49N11O10S3	843.2827	NA	PeJP	NA	NA
+PJ050920	SSSSCCDR 	C28H49N11O15S2	843.2851	NA	PeJP	NA	NA
+PJ050921	GSCNDYW 	C36H45N9O13S	843.2858	NA	PeJP	NA	NA
+PJ050922	SCCNMMR 	C29H53N11O10S4	843.286	NA	PeJP	NA	NA
+PJ050923	GCCMHFF 	C37H49N9O8S3	843.2867	NA	PeJP	NA	NA
+PJ050924	GSSSNDDY 	C32H45N9O18	843.2883	NA	PeJP	NA	NA
+PJ050925	ACCQQEY 	C33H49N9O13S2	843.2891	NA	PeJP	NA	NA
+PJ050926	GSSSSCMW 	C33H49N9O13S2	843.2892	NA	PeJP	NA	NA
+PJ050927	ACCCKMW 	C34H53N9O8S4	843.29	NA	PeJP	NA	NA
+PJ050928	ASSSSSSCE 	C29H49N9O18S	843.2916	NA	PeJP	NA	NA
+PJ050929	GSSSSSSDM 	C29H49N9O18S	843.2917	NA	PeJP	NA	NA
+PJ050930	GPDDDYY 	C37H45N7O16	843.2923	NA	PeJP	NA	NA
+PJ050931	GSSSNMMM 	C30H53N9O13S3	843.2925	NA	PeJP	NA	NA
+PJ050932	CNNNNEH 	C30H45N13O14S	843.293	NA	PeJP	NA	NA
+PJ050933	DDMMFW 	C38H49N7O11S2	843.2932	NA	PeJP	NA	NA
+PJ050934	CCCNKHH 	C31H49N13O9S3	843.2939	NA	PeJP	NA	NA
+PJ050935	GSEEEMY 	C34H49N7O16S	843.2957	NA	PeJP	NA	NA
+PJ050936	GPDMMMY 	C35H53N7O11S3	843.2966	NA	PeJP	NA	NA
+PJ050937	GCDEHHF 	C35H45N11O12S	843.297	NA	PeJP	NA	NA
+PJ050938	TCCCCRR 	C28H53N13O9S4	843.2972	NA	PeJP	NA	NA
+PJ050939	CMMHHW 	C36H49N11O7S3	843.2979	NA	PeJP	NA	NA
+PJ050940	SNNDEEH 	C31H45N11O17	843.2995	NA	PeJP	NA	NA
+PJ050941	ATEMMMM 	C32H57N7O11S4	843.2999	NA	PeJP	NA	NA
+PJ050942	GCCNERY 	C32H49N11O12S2	843.3004	NA	PeJP	NA	NA
+PJ050943	ACCHHHH 	C33H45N15O8S2	843.3017	NA	PeJP	NA	NA
+PJ050944	DEEEHW 	C36H45N9O15	843.3035	NA	PeJP	NA	NA
+PJ050945	GGGNDDFY 	C36H45N9O15	843.3036	NA	PeJP	NA	NA
+PJ050946	GSSTCCMR 	C29H53N11O12S3	843.3038	NA	PeJP	NA	NA
+PJ050947	CNQMYW 	C37H49N9O10S2	843.3044	NA	PeJP	NA	NA
+PJ050948	SSSSSTCW 	C33H49N9O15S	843.3069	NA	PeJP	NA	NA
+PJ050949	DDDFFW 	C41H45N7O13	843.3076	NA	PeJP	NA	NA
+PJ050950	SSCCKMW 	C34H53N9O10S3	843.3078	NA	PeJP	NA	NA
+PJ050951	GCNNNHW 	C34H45N13O11S	843.3083	NA	PeJP	NA	NA
+PJ050952	SSSSSSSSE 	C29H49N9O20	843.3094	NA	PeJP	NA	NA
+PJ050953	SSSSSQMM 	C30H53N9O15S2	843.3103	NA	PeJP	NA	NA
+PJ050954	GSSNNNDH 	C30H45N13O16	843.3108	NA	PeJP	NA	NA
+PJ050955	SEEMYW 	C38H49N7O13S	843.3109	NA	PeJP	NA	NA
+PJ050956	SCNKMMM 	C31H57N9O10S4	843.3111	NA	PeJP	NA	NA
+PJ050957	GGSCKMMM 	C31H57N9O10S4	843.3112	NA	PeJP	NA	NA
+PJ050958	PCCNDHR 	C31H49N13O11S2	843.3116	NA	PeJP	NA	NA
+PJ050959	PPCCMFF 	C39H53N7O8S3	843.3118	NA	PeJP	NA	NA
+PJ050960	CDHHFW 	C39H45N11O9S	843.3123	NA	PeJP	NA	NA
+PJ050961	SSTEEEY 	C34H49N7O18	843.3134	NA	PeJP	NA	NA
+PJ050962	PPDEEEE 	C34H49N7O18	843.3135	NA	PeJP	NA	NA
+PJ050963	AAEEMMY 	C35H53N7O13S2	843.3143	NA	PeJP	NA	NA
+PJ050964	GSNDEHW 	C35H45N11O14	843.3148	NA	PeJP	NA	NA
+PJ050965	GPMMMMF 	C36H57N7O8S4	843.3152	NA	PeJP	NA	NA
+PJ050966	CCNRYW 	C36H49N11O9S2	843.3156	NA	PeJP	NA	NA
+PJ050967	GGCCRYW 	C36H49N11O9S2	843.3157	NA	PeJP	NA	NA
+PJ050968	TTTEMMM 	C32H57N7O13S3	843.3177	NA	PeJP	NA	NA
+PJ050969	SSCNDRY 	C32H49N11O14S	843.3181	NA	PeJP	NA	NA
+PJ050970	GGSSCDRY 	C32H49N11O14S	843.3182	NA	PeJP	NA	NA
+PJ050971	CCLLMMM 	C33H61N7O8S5	843.3185	NA	PeJP	NA	NA
+PJ050972	GLMMMMM 	C33H61N7O8S5	843.3186	NA	PeJP	NA	NA
+PJ050973	GCCQMFR 	C33H53N11O9S3	843.319	NA	PeJP	NA	NA
+PJ050974	SSCHHHH 	C33H45N15O10S	843.3195	NA	PeJP	NA	NA
+PJ050975	SSSSSCMR 	C29H53N11O14S2	843.3215	NA	PeJP	NA	NA
+PJ050976	GSSNMYW 	C37H49N9O12S	843.3222	NA	PeJP	NA	NA
+PJ050977	TCCCKMR 	C30H57N11O9S4	843.3224	NA	PeJP	NA	NA
+PJ050978	GSSSSQEY 	C33H49N9O17	843.3247	NA	PeJP	NA	NA
+PJ050979	DEMMRY 	C34H53N9O12S2	843.3255	NA	PeJP	NA	NA
+PJ050980	GGGGATMMY 	C34H53N9O12S2	843.3256	NA	PeJP	NA	NA
+PJ050981	SPDDHHH 	C34H45N13O13	843.326	NA	PeJP	NA	NA
+PJ050982	PCEFYW 	C42H49N7O10S	843.3262	NA	PeJP	NA	NA
+PJ050983	GSSSSSTTM 	C30H53N9O17S	843.328	NA	PeJP	NA	NA
+PJ050984	GSPEEYY 	C38H49N7O15	843.3287	NA	PeJP	NA	NA
+PJ050985	GSSTCKMM 	C31H57N9O12S3	843.3289	NA	PeJP	NA	NA
+PJ050986	GNDDMHR 	C31H49N13O13S	843.3294	NA	PeJP	NA	NA
+PJ050987	VDMMYW 	C39H53N7O10S2	843.3296	NA	PeJP	NA	NA
+PJ050988	SNDHWW 	C39H45N11O11	843.33	NA	PeJP	NA	NA
+PJ050989	GCCCFRR 	C32H53N13O8S3	843.3303	NA	PeJP	NA	NA
+PJ050990	ATTEEMY 	C35H53N7O15S	843.3321	NA	PeJP	NA	NA
+PJ050991	APTMMMY 	C36H57N7O10S3	843.3329	NA	PeJP	NA	NA
+PJ050992	NQEMHW 	C36H49N11O11S	843.3334	NA	PeJP	NA	NA
+PJ050993	SSQQEEH 	C32H49N11O16	843.3359	NA	PeJP	NA	NA
+PJ050994	STLMMMM 	C33H61N7O10S4	843.3363	NA	PeJP	NA	NA
+PJ050995	GSCQMRY 	C33H53N11O11S2	843.3368	NA	PeJP	NA	NA
+PJ050996	GNNEHHH 	C33H45N15O12	843.3373	NA	PeJP	NA	NA
+PJ050997	CNQFFW 	C41H49N9O9S	843.3374	NA	PeJP	NA	NA
+PJ050998	SSSSQYW 	C37H49N9O14	843.3399	NA	PeJP	NA	NA
+PJ050999	SCNNNHR 	C30H49N15O12S	843.3406	NA	PeJP	NA	NA
+PJ051000	CNKMYW 	C38H53N9O9S2	843.3408	NA	PeJP	NA	NA
+PJ051001	SSNDKMY 	C34H53N9O14S	843.3433	NA	PeJP	NA	NA
+PJ051002	SPEYYW 	C42H49N7O12	843.3439	NA	PeJP	NA	NA
+PJ051003	AEEFYW 	C42H49N7O12	843.344	NA	PeJP	NA	NA
+PJ051004	PCCCKKY 	C35H57N9O9S3	843.3442	NA	PeJP	NA	NA
+PJ051005	CNEHRW 	C35H49N13O10S	843.3446	NA	PeJP	NA	NA
+PJ051006	GGCEHRW 	C35H49N13O10S	843.3447	NA	PeJP	NA	NA
+PJ051007	SSSSSSTTT 	C30H53N9O19	843.3458	NA	PeJP	NA	NA
+PJ051008	SSSSSKMM 	C31H57N9O14S2	843.3467	NA	PeJP	NA	NA
+PJ051009	SSNDEHR 	C31H49N13O15	843.3471	NA	PeJP	NA	NA
+PJ051010	GGSSDEHR 	C31H49N13O15	843.3472	NA	PeJP	NA	NA
+PJ051011	AAPEMYY 	C39H53N7O12S	843.3473	NA	PeJP	NA	NA
+PJ051012	TCCKKMM 	C32H61N9O9S4	843.3475	NA	PeJP	NA	NA
+PJ051013	GSCCRRY 	C32H53N13O10S2	843.348	NA	PeJP	NA	NA
+PJ051014	VMMMFW 	C40H57N7O7S3	843.3482	NA	PeJP	NA	NA
+PJ051015	GQMHWW 	C40H49N11O8S	843.3487	NA	PeJP	NA	NA
+PJ051016	TTTTEEY 	C35H53N7O17	843.3498	NA	PeJP	NA	NA
+PJ051017	GTLEMMY 	C36H57N7O12S2	843.3507	NA	PeJP	NA	NA
+PJ051018	GSTQEHW 	C36H49N11O13	843.3512	NA	PeJP	NA	NA
+PJ051019	APCCKHW 	C37H53N11O8S2	843.352	NA	PeJP	NA	NA
+PJ051020	NNHHHW 	C37H45N15O9	843.3525	NA	PeJP	NA	NA
+PJ051021	SSSNMRY 	C33H53N11O13S	843.3545	NA	PeJP	NA	NA
+PJ051022	GGPPDDMR 	C33H53N11O13S	843.3546	NA	PeJP	NA	NA
+PJ051023	GSPPDWW 	C41H49N9O11	843.3552	NA	PeJP	NA	NA
+PJ051024	GCCKMFR 	C34H57N11O8S3	843.3554	NA	PeJP	NA	NA
+PJ051025	QQQMFY 	C38H53N9O11S	843.3585	NA	PeJP	NA	NA
+PJ051026	GSTCKYW 	C38H53N9O11S	843.3586	NA	PeJP	NA	NA
+PJ051027	GCHRWW 	C39H49N13O7S	843.3599	NA	PeJP	NA	NA
+PJ051028	GSSTTTQY 	C34H53N9O16	843.361	NA	PeJP	NA	NA
+PJ051029	GSSSSKEY 	C34H53N9O16	843.3611	NA	PeJP	NA	NA
+PJ051030	GSQKMMY 	C35H57N9O11S2	843.3619	NA	PeJP	NA	NA
+PJ051031	GSSDHRW 	C35H49N13O12	843.3624	NA	PeJP	NA	NA
+PJ051032	PCLYYW 	C43H53N7O9S	843.3626	NA	PeJP	NA	NA
+PJ051033	LQEEYY 	C39H53N7O14	843.3651	NA	PeJP	NA	NA
+PJ051034	GSQEMHR 	C32H53N13O12S	843.3658	NA	PeJP	NA	NA
+PJ051035	TLMMYW 	C40H57N7O9S2	843.3659	NA	PeJP	NA	NA
+PJ051036	GPVMMFY 	C40H57N7O9S2	843.366	NA	PeJP	NA	NA
+PJ051037	STQHWW 	C40H49N11O10	843.3664	NA	PeJP	NA	NA
+PJ051038	STTLEMY 	C36H57N7O14S	843.3684	NA	PeJP	NA	NA
+PJ051039	PPLEEEM 	C36H57N7O14S	843.3685	NA	PeJP	NA	NA
+PJ051040	GVLMMMY 	C37H61N7O9S3	843.3693	NA	PeJP	NA	NA
+PJ051041	GPPCERW 	C37H53N11O10S	843.3698	NA	PeJP	NA	NA
+PJ051042	GSSSSTRY 	C33H53N11O15	843.3723	NA	PeJP	NA	NA
+PJ051043	GSCKMRY 	C34H57N11O10S2	843.3732	NA	PeJP	NA	NA
+PJ051044	EEHHHR 	C34H49N15O11	843.3736	NA	PeJP	NA	NA
+PJ051045	GGGDKHHH 	C34H49N15O11	843.3737	NA	PeJP	NA	NA
+PJ051046	PPQMWW 	C42H53N9O8S	843.3738	NA	PeJP	NA	NA
+PJ051047	SSSSKYW 	C38H53N9O13	843.3763	NA	PeJP	NA	NA
+PJ051048	GSCEHRR 	C31H53N15O11S	843.377	NA	PeJP	NA	NA
+PJ051049	PMMFRY 	C39H57N9O8S2	843.3772	NA	PeJP	NA	NA
+PJ051050	VEHHHW 	C39H49N13O9	843.3777	NA	PeJP	NA	NA
+PJ051051	SSTQKMY 	C35H57N9O13S	843.3797	NA	PeJP	NA	NA
+PJ051052	ALEYYW 	C43H53N7O11	843.3803	NA	PeJP	NA	NA
+PJ051053	LMMMRY 	C36H61N9O8S3	843.3806	NA	PeJP	NA	NA
+PJ051054	SQMHRW 	C36H53N13O9S	843.381	NA	PeJP	NA	NA
+PJ051055	AHHFFW 	C44H49N11O7	843.3817	NA	PeJP	NA	NA
+PJ051056	GPDDERR 	C32H53N13O14	843.3835	NA	PeJP	NA	NA
+PJ051057	GGGGGGPTER 	C32H53N13O14	843.3836	NA	PeJP	NA	NA
+PJ051058	GPTLMYY 	C40H57N7O11S	843.3837	NA	PeJP	NA	NA
+PJ051059	AAQMMHR 	C33H57N13O9S2	843.3844	NA	PeJP	NA	NA
+PJ051060	GSNHHHR 	C33H49N17O10	843.3849	NA	PeJP	NA	NA
+PJ051061	PPCRWW 	C41H53N11O7S	843.3851	NA	PeJP	NA	NA
+PJ051062	PVLEEEE 	C36H57N7O16	843.3862	NA	PeJP	NA	NA
+PJ051063	SSLLMMY 	C37H61N7O11S2	843.3871	NA	PeJP	NA	NA
+PJ051064	ASSKEHW 	C37H53N11O12	843.3875	NA	PeJP	NA	NA
+PJ051065	PQEERW 	C37H53N11O12	843.3876	NA	PeJP	NA	NA
+PJ051066	SSTCKRY 	C34H57N11O12S	843.3909	NA	PeJP	NA	NA
+PJ051067	GGGGGGAAPLM 	C34H57N11O12S	843.391	NA	PeJP	NA	NA
+PJ051068	PVQEWW 	C42H53N9O10	843.3916	NA	PeJP	NA	NA
+PJ051069	SCHRRW 	C35H53N15O8S	843.3923	NA	PeJP	NA	NA
+PJ051070	SSSDHRR 	C31H53N15O13	843.3948	NA	PeJP	NA	NA
+PJ051071	GPPKEMW 	C39H57N9O10S	843.3949	NA	PeJP	NA	NA
+PJ051072	GGSPPLMW 	C39H57N9O10S	843.395	NA	PeJP	NA	NA
+PJ051073	PTFFFW 	C47H53N7O8	843.3956	NA	PeJP	NA	NA
+MJ096037	Proglumetacin 	C46H58ClN5O8	843.397391	NA	MeJP	NA	NA
+PJ051074	GSSTTTKY 	C35H57N9O15	843.3974	NA	PeJP	NA	NA
+PJ051075	PVNKEEE 	C35H57N9O15	843.3975	NA	PeJP	NA	NA
+PJ051076	GSKKMMY 	C36H61N9O10S2	843.3983	NA	PeJP	NA	NA
+PJ051077	PDDRRW 	C36H53N13O11	843.3988	NA	PeJP	NA	NA
+PJ051078	VVMFYW 	C44H57N7O8S	843.399	NA	PeJP	NA	NA
+PJ051079	SPTTLYY 	C40H57N7O13	843.4014	NA	PeJP	NA	NA
+PJ051080	LKEEYY 	C40H57N7O13	843.4015	NA	PeJP	NA	NA
+PJ051081	ATTQMHR 	C33H57N13O11S	843.4021	NA	PeJP	NA	NA
+PJ051082	SPPCERR 	C33H57N13O11S	843.4022	NA	PeJP	NA	NA
+PJ051083	GVLMMFF 	C41H61N7O8S2	843.4023	NA	PeJP	NA	NA
+PJ051084	APERWW 	C41H53N11O9	843.4028	NA	PeJP	NA	NA
+PJ051085	GNNNNRR 	C30H53N17O12	843.406	NA	PeJP	NA	NA
+PJ051086	GPPTMRW 	C38H57N11O9S	843.4062	NA	PeJP	NA	NA
+PJ051087	GPLWWW 	C46H53N9O7	843.4068	NA	PeJP	NA	NA
+PJ051088	GPKEEER 	C34H57N11O14	843.4087	NA	PeJP	NA	NA
+PJ051089	AVQKMMH 	C35H61N11O9S2	843.4095	NA	PeJP	NA	NA
+PJ051090	PPVNMMR 	C35H61N11O9S2	843.4096	NA	PeJP	NA	NA
+PJ051091	NDHFRR 	C35H53N15O10	843.41	NA	PeJP	NA	NA
+PJ051092	PPKMWW 	C43H57N9O7S	843.4102	NA	PeJP	NA	NA
+PJ051093	GPVKEEW 	C39H57N9O12	843.4127	NA	PeJP	NA	NA
+PJ051094	GSTMHRR 	C32H57N15O10S	843.4134	NA	PeJP	NA	NA
+PJ051095	LMMFFR 	C40H61N9O7S2	843.4136	NA	PeJP	NA	NA
+PJ051096	AQHFRW 	C40H53N13O8	843.414	NA	PeJP	NA	NA
+PJ051097	GAAHFRW 	C40H53N13O8	843.4141	NA	PeJP	NA	NA
+PJ051098	SSTKKMY 	C36H61N9O12S	843.4161	NA	PeJP	NA	NA
+MJ096038	Anabaenopeptin A 	C44H57N7O10	843.416691	NA	MeJP	NA	NA
+PJ051099	SLLYYW 	C44H57N7O10	843.4167	NA	PeJP	NA	NA
+PJ051100	SKMHRW 	C37H57N13O8S	843.4174	NA	PeJP	NA	NA
+PJ051101	GPTEERR 	C33H57N13O13	843.4199	NA	PeJP	NA	NA
+PJ051102	GGGGGGGGGALK 	C33H57N13O13	843.42	NA	PeJP	NA	NA
+PJ051103	AALLMYY 	C41H61N7O10S	843.4201	NA	PeJP	NA	NA
+PJ051104	GPPMMRR 	C34H61N13O8S2	843.4208	NA	PeJP	NA	NA
+PJ051105	PKEERW 	C38H57N11O11	843.4239	NA	PeJP	NA	NA
+PJ051106	GGGPDKKW 	C38H57N11O11	843.424	NA	PeJP	NA	NA
+PJ051107	SPPKEMR 	C35H61N11O11S	843.4273	NA	PeJP	NA	NA
+PJ051108	PVKEWW 	C43H57N9O9	843.428	NA	PeJP	NA	NA
+PJ051109	SSTTHRR 	C32H57N15O12	843.4311	NA	PeJP	NA	NA
+PJ051110	AANQERR 	C32H57N15O12	843.4312	NA	PeJP	NA	NA
+PJ051111	SPPVKMW 	C40H61N9O9S	843.4313	NA	PeJP	NA	NA
+PJ051112	VVFFFW 	C48H57N7O7	843.432	NA	PeJP	NA	NA
+PJ051113	PVDKKEE 	C36H61N9O14	843.4338	NA	PeJP	NA	NA
+PJ051114	GGGVVVVEE 	C36H61N9O14	843.4339	NA	PeJP	NA	NA
+PJ051115	SLLLMMH 	C37H65N9O9S2	843.4347	NA	PeJP	NA	NA
+PJ051116	PTERRW 	C37H57N13O10	843.4352	NA	PeJP	NA	NA
+PJ051117	ATTLLYY 	C41H61N7O12	843.4378	NA	PeJP	NA	NA
+PJ051118	PPLLEEF 	C41H61N7O12	843.4379	NA	PeJP	NA	NA
+PJ051119	SPPTMRR 	C34H61N13O10S	843.4385	NA	PeJP	NA	NA
+PJ051120	GPVEMRR 	C34H61N13O10S	843.4386	NA	PeJP	NA	NA
+PJ051121	SPLRWW 	C42H57N11O8	843.4392	NA	PeJP	NA	NA
+PJ051122	PLLLEEM 	C38H65N7O12S	843.4412	NA	PeJP	NA	NA
+PJ051123	NNERRR 	C31H57N17O11	843.4424	NA	PeJP	NA	NA
+PJ051124	AAPLMRW 	C39H61N11O8S	843.4426	NA	PeJP	NA	NA
+PJ051125	SPVKEER 	C35H61N11O13	843.4451	NA	PeJP	NA	NA
+C15702	Tubulysin A	C43H65N5O10S	843.4452	NA	KEGG	NA	NA
+MJ096039	Tubulysin A 	C43H65N5O10S	843.445214	NA	MeJP	NA	NA
+PJ051126	PPCLKMR 	C36H65N11O8S2	843.4459	NA	PeJP	NA	NA
+PJ051127	AQQRRW 	C36H57N15O9	843.4464	NA	PeJP	NA	NA
+PJ051128	APTLKEW 	C40H61N9O11	843.4491	NA	PeJP	NA	NA
+PJ051129	PEMRRR 	C33H61N15O9S	843.4498	NA	PeJP	NA	NA
+PJ051130	AKHFRW 	C41H57N13O7	843.4504	NA	PeJP	NA	NA
+PJ051131	PVLQKEM 	C37H65N9O11S	843.4525	NA	PeJP	NA	NA
+PJ051132	AALLFFY 	C45H61N7O9	843.4531	NA	PeJP	NA	NA
+PJ051133	PVMRRW 	C38H61N13O7S	843.4538	NA	PeJP	NA	NA
+PJ051134	AALEERR 	C34H61N13O12	843.4563	NA	PeJP	NA	NA
+PJ051135	GNRRRW 	C35H57N17O8	843.4576	NA	PeJP	NA	NA
+PJ051136	GGGRRRW 	C35H57N17O8	843.4577	NA	PeJP	NA	NA
+PJ051137	VLLLEEE 	C38H65N7O14	843.459	NA	PeJP	NA	NA
+PJ051138	LLQERW 	C39H61N11O10	843.4603	NA	PeJP	NA	NA
+MJ096040	Maridomycin II 	C42H69NO16	843.461635	NA	MeJP	NA	NA
+MJ096041	Maridomycin VII 	C42H69NO16	843.461635	NA	MeJP	NA	NA
+MJ096042	Tertiomycin A 	C42H69NO16	843.461635	NA	MeJP	NA	NA
+PJ051139	APLKEMR 	C36H65N11O10S	843.4637	NA	PeJP	NA	NA
+PJ051140	VLLQWW 	C44H61N9O8	843.4643	NA	PeJP	NA	NA
+PJ051141	GGLLLWW 	C44H61N9O8	843.4644	NA	PeJP	NA	NA
+PJ051142	VEERRR 	C33H61N15O11	843.4675	NA	PeJP	NA	NA
+PJ051143	GGAAKERR 	C33H61N15O11	843.4676	NA	PeJP	NA	NA
+PJ051144	GPLLKMW 	C41H65N9O8S	843.4677	NA	PeJP	NA	NA
+PJ051145	PTLKKEE 	C37H65N9O13	843.4702	NA	PeJP	NA	NA
+PJ051146	PPLKKMM 	C38H69N9O8S2	843.4711	NA	PeJP	NA	NA
+PJ051147	VVERRW 	C38H61N13O9	843.4716	NA	PeJP	NA	NA
+PJ051148	PPLLLEY 	C42H65N7O11	843.4742	NA	PeJP	NA	NA
+PJ051149	APTLMRR 	C35H65N13O9S	843.4749	NA	PeJP	NA	NA
+PJ051150	ALLRWW 	C43H61N11O7	843.4756	NA	PeJP	NA	NA
+PJ051151	NDKRRR 	C32H61N17O10	843.4788	NA	PeJP	NA	NA
+PJ051152	PTTLKER 	C36H65N11O12	843.4814	NA	PeJP	NA	NA
+PJ051153	GLLKEER 	C36H65N11O12	843.4815	NA	PeJP	NA	NA
+PJ051154	AQKRRW 	C37H61N15O8	843.4828	NA	PeJP	NA	NA
+PJ051155	GVLLKEW 	C41H65N9O10	843.4855	NA	PeJP	NA	NA
+PJ051156	GPCKKRR 	C34H65N15O8S	843.4862	NA	PeJP	NA	NA
+PJ051157	PVLKKEM 	C38H69N9O10S	843.4888	NA	PeJP	NA	NA
+PJ051158	PLLDKKM 	C38H69N9O10S	843.4889	NA	PeJP	NA	NA
+PJ051159	SNRRRR 	C31H61N19O9	843.49	NA	PeJP	NA	NA
+PJ051160	GTLLERR 	C35H65N13O11	843.4927	NA	PeJP	NA	NA
+PJ051161	LLKERW 	C40H65N11O9	843.4967	NA	PeJP	NA	NA
+PJ051162	SPLLKMR 	C37H69N11O9S	843.5001	NA	PeJP	NA	NA
+PJ051163	VLLKWW 	C45H65N9O7	843.5007	NA	PeJP	NA	NA
+PJ051164	QKKERR 	C34H65N15O10	843.5039	NA	PeJP	NA	NA
+PJ051165	VVLKKEE 	C38H69N9O12	843.5066	NA	PeJP	NA	NA
+PJ051166	TLLRRW 	C39H65N13O8	843.5079	NA	PeJP	NA	NA
+PJ051167	GGLKKRW 	C39H65N13O8	843.508	NA	PeJP	NA	NA
+PJ051168	PLLLLEF 	C43H69N7O10	843.5106	NA	PeJP	NA	NA
+PJ051169	GVLLMRR 	C36H69N13O8S	843.5113	NA	PeJP	NA	NA
+PJ051170	LLLLLEM 	C40H73N7O10S	843.514	NA	PeJP	NA	NA
+PJ051171	TQKRRR 	C33H65N17O9	843.5152	NA	PeJP	NA	NA
+PJ051172	SVLLKER 	C37H69N11O11	843.5178	NA	PeJP	NA	NA
+PJ051173	GAALKKKE 	C37H69N11O11	843.5179	NA	PeJP	NA	NA
+PJ051174	AKKRRW 	C38H65N15O7	843.5192	NA	PeJP	NA	NA
+PJ051175	ATLLLKW 	C42H69N9O9	843.5219	NA	PeJP	NA	NA
+PJ051176	LLMRRR 	C35H69N15O7S	843.5226	NA	PeJP	NA	NA
+PJ051177	VLLLQKM 	C39H73N9O9S	843.5252	NA	PeJP	NA	NA
+PJ051178	SSLLLRR 	C36H69N13O10	843.5291	NA	PeJP	NA	NA
+PJ051179	AALKKKW 	C41H69N11O8	843.5331	NA	PeJP	NA	NA
+PJ051180	ALLLKMR 	C38H73N11O8S	843.5365	NA	PeJP	NA	NA
+PJ051181	KKKERR 	C35H69N15O9	843.5403	NA	PeJP	NA	NA
+PJ051182	TLLLKKE 	C39H73N9O11	843.543	NA	PeJP	NA	NA
+PJ051183	VKKKRW 	C40H69N13O7	843.5443	NA	PeJP	NA	NA
+PJ051184	PLLLLLY 	C44H73N7O9	843.547	NA	PeJP	NA	NA
+PJ051185	TKKRRR 	C34H69N17O8	843.5515	NA	PeJP	NA	NA
+PJ051186	TTLLLKR 	C38H73N11O10	843.5542	NA	PeJP	NA	NA
+PJ051187	PVLLKKF 	C43H73N9O8	843.5583	NA	PeJP	NA	NA
+PJ051188	VLLLKKM 	C40H77N9O8S	843.5616	NA	PeJP	NA	NA
+PJ051189	ATLKKKR 	C37H73N13O9	843.5655	NA	PeJP	NA	NA
+HMDB09573	PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H82NO8P	843.57782	NA	HMDB2010	NA	NA
+HMDB09602	PE(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	C49H82NO8P	843.57782	NA	HMDB2010	NA	NA
+HMDB09701	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	C49H82NO8P	843.57782	NA	HMDB2010	NA	NA
+PJ051190	LLLLLLF 	C45H77N7O8	843.5834	NA	PeJP	NA	NA
+PJ051191	SLLKKKK 	C39H77N11O9	843.5906	NA	PeJP	NA	NA
+EUR973	PC 36:3 [M-H+acetate]-	C44H82NO8P	843.598907	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR973	PC 36:3 [M-H+acetate]-	C44H82NO8P	843.598907	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR973	PC 36:3 [M-H+acetate]-	C44H82NO8P	843.598907	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR973	PC 36:3 [M-H+acetate]-	C44H82NO8P	843.598907	masses lipides attendues	Inhousejuil11	NA	NA
+PJ051192	GKKKKKK 	C38H77N13O8	843.6018	NA	PeJP	NA	NA
+HMDB07993	PC(16:0/24:1(15Z))	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08025	PC(16:1(9Z)/24:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08052	PC(18:0/22:1(13Z))	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08084	PC(18:1(11Z)/22:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08117	PC(18:1(9Z)/22:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08275	PC(20:0/20:1(11Z))	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08307	PC(20:1(11Z)/20:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08531	PC(22:0/18:1(11Z))	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08532	PC(22:0/18:1(9Z))	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08563	PC(22:1(13Z)/18:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08757	PC(24:0/15:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08759	PC(24:0/16:1(9Z))	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+HMDB08791	PC(24:1(15Z)/16:0)	C48H94NO8P	843.671692	NA	HMDB2010	NA	NA
+MJ096043	2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside 	C48H93NO10	843.679948	NA	MeJP	NA	NA
+MJ096044	2-Amino-1,3,4-octadecanetriol, N-Pentacosanoyl, 1-O-?-D-glucopyranoside 	C49H97NO9	843.716333	NA	MeJP	NA	NA
+MJ096045	2-Amino-1,3-eicosanediol, N-(2R-Hydroxytricosanoyl), 1-O-?-D-glucopyranoside 	C49H97NO9	843.716333	NA	MeJP	NA	NA
+HMDB11698	SM(d18:1/26:0)	C49H100N2O6P	843.731873	NA	HMDB2010	NA	NA
+MJ096046	Aerothionin; 2''-Oxo, 3''R-hydroxy 	C24H24Br4N4O10	843.822593	NA	MeJP	NA	NA
+MJ096047	Aerothionin; 2''-Oxo, 3''S-hydroxy 	C24H24Br4N4O10	843.822593	NA	MeJP	NA	NA
+7723	NA	NKLASVYALTPSLRVG	843.97345	MH2+	Inhouse_peptide	NA	peptide
+PJ051193	ACCCCCCH 	C27H44N10O9S6	844.1617	NA	PeJP	NA	NA
+PJ051194	GCCCDDDD 	C27H40N8O17S3	844.1674	NA	PeJP	NA	NA
+PJ051195	SSCCCCCH 	C27H44N10O11S5	844.1795	NA	PeJP	NA	NA
+PJ051196	SPCCCCDD 	C28H44N8O14S4	844.186	NA	PeJP	NA	NA
+PJ051197	GCCCCNNE 	C27H44N10O13S4	844.1973	NA	PeJP	NA	NA
+PJ051198	GSCCDDDM 	C28H44N8O16S3	844.2038	NA	PeJP	NA	NA
+PJ051199	GPCCCCEM 	C29H48N8O11S5	844.2047	NA	PeJP	NA	NA
+PJ051200	CCCCNNW 	C31H44N10O10S4	844.2125	NA	PeJP	NA	NA
+PJ051201	SSCCCNND 	C27H44N10O15S3	844.215	NA	PeJP	NA	NA
+PJ051202	SCCCDEW 	C32H44N8O13S3	844.219	NA	PeJP	NA	NA
+PJ051203	PCCCCMW 	C33H48N8O8S5	844.2199	NA	PeJP	NA	NA
+PJ051204	SSSCCDDE 	C28H44N8O18S2	844.2215	NA	PeJP	NA	NA
+PJ051205	CCNDEMM 	C29H48N8O13S4	844.2224	NA	PeJP	NA	NA
+PJ051206	CCCDDMR 	C28H48N10O12S4	844.2336	NA	PeJP	NA	NA
+PJ051207	GGGGGTCCCM 	C28H48N10O12S4	844.2337	NA	PeJP	NA	NA
+PJ051208	CCNDDEF 	C32H44N8O15S2	844.2368	NA	PeJP	NA	NA
+PJ051209	GCCDMMW 	C33H48N8O10S4	844.2377	NA	PeJP	NA	NA
+PJ051210	GSSCDDMM 	C29H48N8O15S3	844.2402	NA	PeJP	NA	NA
+PJ051211	GPTCCCMM 	C30H52N8O10S5	844.241	NA	PeJP	NA	NA
+PJ051212	CCCNEHH 	C30H44N12O11S3	844.2415	NA	PeJP	NA	NA
+C17918	Scabraside	C40H44O20	844.2426	NA	KEGG	NA	NA
+PJ051213	GSCCCCNR 	C27H48N12O11S4	844.2449	NA	PeJP	NA	NA
+PJ051214	NDDDDDH 	C30H40N10O19	844.2472	NA	PeJP	NA	NA
+PJ051215	CCNNNDY 	C31H44N10O14S2	844.248	NA	PeJP	NA	NA
+PJ051216	SSSCCNNM 	C28H48N10O14S3	844.2514	NA	PeJP	NA	NA
+PJ051217	GCCDDFW 	C36H44N8O12S2	844.2521	NA	PeJP	NA	NA
+PJ051218	SCNDDEY 	C32H44N8O17S	844.2545	NA	PeJP	NA	NA
+PJ051219	GGSCDDEY 	C32H44N8O17S	844.2546	NA	PeJP	NA	NA
+PJ051220	SSCCEMW 	C33H48N8O12S3	844.2554	NA	PeJP	NA	NA
+PJ051221	GCCCHHW 	C34H44N12O8S3	844.2568	NA	PeJP	NA	NA
+PJ051222	SSSSCDEM 	C29H48N8O17S2	844.2579	NA	PeJP	NA	NA
+PJ051223	SCNEMMM 	C30H52N8O12S4	844.2588	NA	PeJP	NA	NA
+PJ051224	GSSCCDHH 	C30H44N12O13S2	844.2593	NA	PeJP	NA	NA
+PJ051225	CCMYYY 	C38H48N6O10S3	844.2594	NA	PeJP	NA	NA
+PJ051226	GSPCDDDH 	C31H44N10O16S	844.2658	NA	PeJP	NA	NA
+PJ051227	CCNNNMF 	C32H48N10O11S3	844.2666	NA	PeJP	NA	NA
+PJ051228	GGCCNNMF 	C32H48N10O11S3	844.2667	NA	PeJP	NA	NA
+PJ051229	GSSSSSCCQ 	C28H48N10O16S2	844.2691	NA	PeJP	NA	NA
+PJ051230	GGGSSSSTCC 	C28H48N10O16S2	844.2692	NA	PeJP	NA	NA
+PJ051231	GSCDDYW 	C36H44N8O14S	844.2698	NA	PeJP	NA	NA
+PJ051232	SCCDMMR 	C29H52N10O11S4	844.27	NA	PeJP	NA	NA
+PJ051233	APCCCYW 	C37H48N8O9S3	844.2707	NA	PeJP	NA	NA
+PJ051234	GSSSDDDY 	C32H44N8O19	844.2723	NA	PeJP	NA	NA
+PJ051235	GNDDMMY 	C33H48N8O14S2	844.2732	NA	PeJP	NA	NA
+PJ051236	GSCMMMW 	C34H52N8O9S4	844.274	NA	PeJP	NA	NA
+PJ051237	GGPCCMMF 	C34H52N8O9S4	844.2741	NA	PeJP	NA	NA
+PJ051238	GSSSDMMM 	C30H52N8O14S3	844.2765	NA	PeJP	NA	NA
+PJ051239	CNNNDEH 	C30H44N12O15S	844.277	NA	PeJP	NA	NA
+PJ051240	GNMMMMM 	C31H56N8O9S5	844.2774	NA	PeJP	NA	NA
+PJ051241	SCCQMHH 	C31H48N12O10S3	844.2779	NA	PeJP	NA	NA
+PJ051242	PPCCCHW 	C36H48N10O8S3	844.2819	NA	PeJP	NA	NA
+PJ051243	SNDDEEH 	C31H44N10O18	844.2835	NA	PeJP	NA	NA
+PJ051244	GGSDDEEH 	C31H44N10O18	844.2836	NA	PeJP	NA	NA
+PJ051245	GCCDERY 	C32H48N10O13S2	844.2844	NA	PeJP	NA	NA
+PJ051246	SSSSSSSCN 	C28H48N10O18S	844.2869	NA	PeJP	NA	NA
+PJ051247	GNDDDFY 	C36H44N8O16	844.2876	NA	PeJP	NA	NA
+PJ051248	SSSCCCQK 	C29H52N10O13S3	844.2878	NA	PeJP	NA	NA
+PJ051249	CNEMYW 	C37H48N8O11S2	844.2884	NA	PeJP	NA	NA
+PJ051250	ACCMMMR 	C30H56N10O8S5	844.2886	NA	PeJP	NA	NA
+PJ051251	VCCCMMR 	C30H56N10O8S5	844.2887	NA	PeJP	NA	NA
+PJ051252	SCCCHHR 	C30H48N14O9S3	844.2891	NA	PeJP	NA	NA
+PJ051253	SSNDEMY 	C33H48N8O16S	844.2909	NA	PeJP	NA	NA
+PJ051254	SSTCMMW 	C34H52N8O11S3	844.2918	NA	PeJP	NA	NA
+PJ051255	GCNNDHW 	C34H44N12O12S	844.2923	NA	PeJP	NA	NA
+PJ051256	CCFFYY 	C42H48N6O9S2	844.2924	NA	PeJP	NA	NA
+PJ051257	SSSSSEMM 	C30H52N8O16S2	844.2943	NA	PeJP	NA	NA
+PJ051258	GSSNNDDH 	C30H44N12O17	844.2948	NA	PeJP	NA	NA
+PJ051259	SSQMMMM 	C31H56N8O11S4	844.2952	NA	PeJP	NA	NA
+PJ051260	GSSSCMHH 	C31H48N12O12S2	844.2956	NA	PeJP	NA	NA
+PJ051261	PCCDDHR 	C31H48N12O12S2	844.2957	NA	PeJP	NA	NA
+PJ051262	GSDDEHW 	C35H44N10O15	844.2988	NA	PeJP	NA	NA
+PJ051263	CCDRYW 	C36H48N10O10S2	844.2997	NA	PeJP	NA	NA
+MJ096048	4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol, 3',5-Di-Me ether, 4'-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C38H52O21	844.300108	NA	MeJP	NA	NA
+MJ096049	Pinoresinol, 4-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C38H52O21	844.300108	NA	MeJP	NA	NA
+PJ051264	SSCDDRY 	C32H48N10O15S	844.3022	NA	PeJP	NA	NA
+PJ051265	PTCCCRY 	C33H52N10O10S3	844.303	NA	PeJP	NA	NA
+PJ051266	GGGACCCKF 	C33H52N10O10S3	844.3031	NA	PeJP	NA	NA
+PJ051267	GCMYWW 	C41H48N8O8S2	844.3037	NA	PeJP	NA	NA
+PJ051268	GSSSSSCCK 	C29H52N10O15S2	844.3055	NA	PeJP	NA	NA
+PJ051269	GSSDMYW 	C37H48N8O13S	844.3062	NA	PeJP	NA	NA
+PJ051270	SSCMMMR 	C30H56N10O10S4	844.3064	NA	PeJP	NA	NA
+PJ051271	CQMMFW 	C38H52N8O8S3	844.3071	NA	PeJP	NA	NA
+PJ051272	GSSSSEEY 	C33H48N8O18	844.3087	NA	PeJP	NA	NA
+PJ051273	SCCLQEY 	C34H52N8O13S2	844.3095	NA	PeJP	NA	NA
+PJ051274	GSQEMMY 	C34H52N8O13S2	844.3096	NA	PeJP	NA	NA
+PJ051275	ACYYYY 	C42H48N6O11S	844.3102	NA	PeJP	NA	NA
+PJ051276	GCNMHHF 	C35H48N12O9S2	844.3109	NA	PeJP	NA	NA
+PJ051277	EEEEFY 	C38H48N6O16	844.3127	NA	PeJP	NA	NA
+PJ051278	GSSTTMMM 	C31H56N8O13S3	844.3129	NA	PeJP	NA	NA
+PJ051279	GDDDMHR 	C31H48N12O14S	844.3134	NA	PeJP	NA	NA
+PJ051280	ACKMMMM 	C32H60N8O8S5	844.3138	NA	PeJP	NA	NA
+PJ051281	SDDHWW 	C39H44N10O12	844.3141	NA	PeJP	NA	NA
+PJ051282	SCCKMHH 	C32H52N12O9S3	844.3143	NA	PeJP	NA	NA
+MJ096050	Bussein F 	C42H52O18	844.315364	NA	MeJP	NA	NA
+PJ051283	NEEMHW 	C36H48N10O12S	844.3174	NA	PeJP	NA	NA
+PJ051284	CCMFRW 	C37H52N10O7S3	844.3183	NA	PeJP	NA	NA
+PJ051285	SSSSSNNY 	C32H48N10O17	844.3199	NA	PeJP	NA	NA
+PJ051286	GGGGGGPEEE 	C32H48N10O17	844.32	NA	PeJP	NA	NA
+PJ051287	GSCEMRY 	C33H52N10O12S2	844.3208	NA	PeJP	NA	NA
+PJ051288	GNDEHHH 	C33H44N14O13	844.3213	NA	PeJP	NA	NA
+PJ051289	STCYWW 	C41H48N8O10S	844.3214	NA	PeJP	NA	NA
+PJ051290	GGCEFFW 	C41H48N8O10S	844.3215	NA	PeJP	NA	NA
+PJ051291	SSSSEYW 	C37H48N8O15	844.3239	NA	PeJP	NA	NA
+PJ051292	SPPDDEW 	C37H48N8O15	844.324	NA	PeJP	NA	NA
+PJ051293	SSSCCCKK 	C30H56N10O12S3	844.3242	NA	PeJP	NA	NA
+PJ051294	SCNNDHR 	C30H48N14O13S	844.3246	NA	PeJP	NA	NA
+PJ051295	GGGGSCDHR 	C30H48N14O13S	844.3247	NA	PeJP	NA	NA
+PJ051296	SQMMYW 	C38H52N8O10S2	844.3248	NA	PeJP	NA	NA
+PJ051297	SSTQEMY 	C34H52N8O15S	844.3273	NA	PeJP	NA	NA
+PJ051298	SSYYYY 	C42H48N6O13	844.3279	NA	PeJP	NA	NA
+PJ051299	AAQMMMY 	C35H56N8O10S3	844.3282	NA	PeJP	NA	NA
+PJ051300	CDEHRW 	C35H48N12O11S	844.3287	NA	PeJP	NA	NA
+PJ051301	SSSTTTMM 	C31H56N8O15S2	844.3307	NA	PeJP	NA	NA
+PJ051302	SSDDEHR 	C31H48N12O16	844.3312	NA	PeJP	NA	NA
+PJ051303	SSKMMMM 	C32H60N8O10S4	844.3315	NA	PeJP	NA	NA
+PJ051304	SPCDMHR 	C32H52N12O11S2	844.332	NA	PeJP	NA	NA
+PJ051305	GGGGGAAMMH 	C32H52N12O11S2	844.3321	NA	PeJP	NA	NA
+PJ051306	GEMHWW 	C40H48N10O9S	844.3327	NA	PeJP	NA	NA
+PJ051307	GSTEEHW 	C36H48N10O14	844.3352	NA	PeJP	NA	NA
+PJ051308	SCMRYW 	C37H52N10O9S2	844.336	NA	PeJP	NA	NA
+PJ051309	GSPMMHW 	C37H52N10O9S2	844.3361	NA	PeJP	NA	NA
+PJ051310	NDHHHW 	C37H44N14O10	844.3365	NA	PeJP	NA	NA
+PJ051311	GCFFWW 	C45H48N8O7S	844.3367	NA	PeJP	NA	NA
+PJ051312	SSSDMRY 	C33H52N10O14S	844.3385	NA	PeJP	NA	NA
+PJ051313	GGGSSSCKY 	C33H52N10O14S	844.3386	NA	PeJP	NA	NA
+PJ051314	GQEYYW 	C41H48N8O12	844.3392	NA	PeJP	NA	NA
+PJ051315	NMMMRY 	C34H56N10O9S3	844.3394	NA	PeJP	NA	NA
+PJ051316	SPCQHHH 	C34H48N14O10S	844.3399	NA	PeJP	NA	NA
+PJ051317	NNNNNQQ 	C30H48N14O15	844.3424	NA	PeJP	NA	NA
+PJ051318	GSTTMYW 	C38H52N8O12S	844.3426	NA	PeJP	NA	NA
+PJ051319	GCNQMHR 	C31H52N14O10S2	844.3433	NA	PeJP	NA	NA
+PJ051320	CKMMFW 	C39H56N8O7S3	844.3434	NA	PeJP	NA	NA
+PJ051321	GSSTTTEY 	C34H52N8O17	844.3451	NA	PeJP	NA	NA
+PJ051322	GSKEMMY 	C35H56N8O12S2	844.3459	NA	PeJP	NA	NA
+PJ051323	GSPPPEMM 	C35H56N8O12S2	844.346	NA	PeJP	NA	NA
+PJ051324	SSSNQHW 	C35H48N12O13	844.3464	NA	PeJP	NA	NA
+PJ051325	ACCKHHF 	C36H52N12O8S2	844.3473	NA	PeJP	NA	NA
+PJ051326	MHWWW 	C44H48N10O6S	844.3479	NA	PeJP	NA	NA
+PJ051327	LEEEYY 	C39H52N6O15	844.3491	NA	PeJP	NA	NA
+PJ051328	GSEEMHR 	C32H52N12O13S	844.3498	NA	PeJP	NA	NA
+PJ051329	STEHWW 	C40H48N10O11	844.3504	NA	PeJP	NA	NA
+PJ051330	GGGGPEWW 	C40H48N10O11	844.3505	NA	PeJP	NA	NA
+PJ051331	APCMMHR 	C33H56N12O8S3	844.3507	NA	PeJP	NA	NA
+MJ096051	Entandrophragmin 	C43H56O17	844.35175	NA	MeJP	NA	NA
+MJ096052	Urdamycin A 	C43H56O17	844.35175	NA	MeJP	NA	NA
+C12413	Urdamycin A	C43H56O17	844.3518	NA	KEGG	NA	NA
+PJ051332	DKEMHW 	C37H52N10O11S	844.3538	NA	PeJP	NA	NA
+PJ051333	QYYWW 	C45H48N8O9	844.3544	NA	PeJP	NA	NA
+PJ051334	GAYYWW 	C45H48N8O9	844.3545	NA	PeJP	NA	NA
+PJ051335	MHHHHF 	C38H48N14O7S	844.3552	NA	PeJP	NA	NA
+PJ051336	GPEEEER 	C33H52N10O16	844.3563	NA	PeJP	NA	NA
+PJ051337	GSTMMRY 	C34H56N10O11S2	844.3572	NA	PeJP	NA	NA
+PJ051338	GTQEHHH 	C34H48N14O12	844.3577	NA	PeJP	NA	NA
+PJ051339	PPEMWW 	C42H52N8O9S	844.3578	NA	PeJP	NA	NA
+PJ051340	SSTTTYW 	C38H52N8O14	844.3603	NA	PeJP	NA	NA
+PJ051341	SSNNMHR 	C31H52N14O12S	844.361	NA	PeJP	NA	NA
+PJ051342	GGGGGGGAPCR 	C31H52N14O12S	844.3611	NA	PeJP	NA	NA
+PJ051343	SKMMYW 	C39H56N8O9S2	844.3612	NA	PeJP	NA	NA
+PJ051344	NNQHFW 	C39H48N12O10	844.3617	NA	PeJP	NA	NA
+PJ051345	SSTKEMY 	C35H56N8O14S	844.3637	NA	PeJP	NA	NA
+PJ051346	AAKMMMY 	C36H60N8O9S3	844.3646	NA	PeJP	NA	NA
+PJ051347	SEMHRW 	C36H52N12O10S	844.365	NA	PeJP	NA	NA
+PJ051348	GGGTCKHW 	C36H52N12O10S	844.3651	NA	PeJP	NA	NA
+PJ051349	GPNWWW 	C44H48N10O8	844.3657	NA	PeJP	NA	NA
+PJ051350	SSTEEHR 	C32H52N12O15	844.3675	NA	PeJP	NA	NA
+PJ051351	GGSPNEER 	C32H52N12O15	844.3676	NA	PeJP	NA	NA
+PJ051352	AAEMMHR 	C33H56N12O10S2	844.3684	NA	PeJP	NA	NA
+PJ051353	GSDHHHR 	C33H48N16O11	844.3689	NA	PeJP	NA	NA
+PJ051354	SVMHWW 	C41H52N10O8S	844.3691	NA	PeJP	NA	NA
+PJ051355	PEEERW 	C37H52N10O13	844.3716	NA	PeJP	NA	NA
+PJ051356	LQMMHW 	C38H56N10O8S2	844.3724	NA	PeJP	NA	NA
+MJ096053	3,5,14,16-Tetrahydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl(1?4)-?-D-xylopyranosyl(1??)-?-D-digitoxoside] 	C40H60O19	844.372879	NA	MeJP	NA	NA
+PJ051357	TQHHHW 	C38H48N14O9	844.3729	NA	PeJP	NA	NA
+PJ051358	SSTTMRY 	C34H56N10O13S	844.3749	NA	PeJP	NA	NA
+PJ051359	GGGGPLQEM 	C34H56N10O13S	844.375	NA	PeJP	NA	NA
+PJ051360	PVEEWW 	C42H52N8O11	844.3756	NA	PeJP	NA	NA
+PJ051361	APKMMMH 	C35H60N10O8S3	844.3758	NA	PeJP	NA	NA
+PJ051362	GVQMHHH 	C35H52N14O9S	844.3763	NA	PeJP	NA	NA
+PJ051363	GSSSSQHR 	C31H52N14O14	844.3788	NA	PeJP	NA	NA
+PJ051364	LQQMYY 	C39H56N8O11S	844.3789	NA	PeJP	NA	NA
+PJ051365	SPPVEMW 	C39H56N8O11S	844.379	NA	PeJP	NA	NA
+PJ051366	ACCQKHR 	C32H56N14O9S2	844.3796	NA	PeJP	NA	NA
+PJ051367	DMMHRR 	C32H56N14O9S2	844.3797	NA	PeJP	NA	NA
+PJ051368	PCHFRW 	C40H52N12O7S	844.3803	NA	PeJP	NA	NA
+PJ051369	SSSSTTLY 	C35H56N8O16	844.3814	NA	PeJP	NA	NA
+PJ051370	PVDKEEE 	C35H56N8O16	844.3815	NA	PeJP	NA	NA
+PJ051371	ATTKMMY 	C36H60N8O11S2	844.3823	NA	PeJP	NA	NA
+PJ051372	GSPNERW 	C36H52N12O12	844.3828	NA	PeJP	NA	NA
+PJ051373	CLMHRW 	C37H56N12O7S2	844.3837	NA	PeJP	NA	NA
+PJ051374	ATTEMHR 	C33H56N12O12S	844.3862	NA	PeJP	NA	NA
+PJ051375	PNDKWW 	C41H52N10O10	844.3868	NA	PeJP	NA	NA
+PJ051376	QMHHHR 	C34H52N16O8S	844.3875	NA	PeJP	NA	NA
+PJ051377	GNNNDRR 	C30H52N16O13	844.39	NA	PeJP	NA	NA
+PJ051378	GTTLMHW 	C38H56N10O10S	844.3902	NA	PeJP	NA	NA
+PJ051379	KYYWW 	C46H52N8O8	844.3908	NA	PeJP	NA	NA
+PJ051380	GAAFFFW 	C46H52N8O8	844.3909	NA	PeJP	NA	NA
+MJ096054	Holost-9(11)-ene-3,12,17-triol, 24,25-Didehydro, 3-O-[6-deoxy-?-D-glucopyranosyl-(1?2)-4-O-sulfo-?-D-xylopyranoside] 	C41H64O16S	844.391506	NA	MeJP	NA	NA
+PJ051381	SPVEEER 	C34H56N10O15	844.3927	NA	PeJP	NA	NA
+PJ051382	PPVDMMR 	C35H60N10O10S2	844.3936	NA	PeJP	NA	NA
+PJ051383	NNQQRW 	C35H52N14O11	844.394	NA	PeJP	NA	NA
+PJ051384	GGGGGAQRW 	C35H52N14O11	844.3941	NA	PeJP	NA	NA
+PJ051385	AKMFYW 	C43H56N8O8S	844.3942	NA	PeJP	NA	NA
+PJ051386	APTLEEW 	C39H56N8O13	844.3967	NA	PeJP	NA	NA
+PJ051387	GPNDMRR 	C32H56N14O11S	844.3974	NA	PeJP	NA	NA
+PJ051388	APPLMMW 	C40H60N8O8S2	844.3976	NA	PeJP	NA	NA
+PJ051389	SPNRWW 	C40H52N12O9	844.3981	NA	PeJP	NA	NA
+PJ051390	CHHHRR 	C33H52N18O7S	844.3988	NA	PeJP	NA	NA
+8206	Antioxidin-RL - peptide from frog skin (Odorrana livida)	AMRLTYNRPCIYAT	844.39965	MH2+	Inhouse_peptide	NA	peptide
+PJ051391	TTTTKMY 	C36H60N8O13S	844.4001	NA	PeJP	NA	NA
+PJ051392	PQQMRW 	C37H56N12O9S	844.4014	NA	PeJP	NA	NA
+PJ051393	GLHFWW 	C45H52N10O7	844.4021	NA	PeJP	NA	NA
+PJ051394	TTTTEHR 	C33H56N12O14	844.4039	NA	PeJP	NA	NA
+PJ051395	GGGGALEER 	C33H56N12O14	844.404	NA	PeJP	NA	NA
+PJ051396	GTLMMHR 	C34H60N12O9S2	844.4048	NA	PeJP	NA	NA
+PJ051397	GTTHHHR 	C34H52N16O10	844.4053	NA	PeJP	NA	NA
+PJ051398	PKMHFW 	C42H56N10O7S	844.4055	NA	PeJP	NA	NA
+PJ051399	STTTLHW 	C38H56N10O12	844.4079	NA	PeJP	NA	NA
+PJ051400	ASPQKEW 	C38H56N10O12	844.408	NA	PeJP	NA	NA
+PJ051401	LKMMHW 	C39H60N10O7S2	844.4088	NA	PeJP	NA	NA
+MJ096055	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C41H64O18	844.409265	NA	MeJP	NA	NA
+MJ096056	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-?-D-gulopyranoside] 	C41H64O18	844.409265	NA	MeJP	NA	NA
+MJ096057	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-fucopyranoside] 	C41H64O18	844.409265	NA	MeJP	NA	NA
+MJ096058	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H64O18	844.409265	NA	MeJP	NA	NA
+MJ096059	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H64O18	844.409265	NA	MeJP	NA	NA
+PJ051402	TKHHHW 	C39H52N14O8	844.4093	NA	PeJP	NA	NA
+PJ051403	APLEEMR 	C35H60N10O12S	844.4113	NA	PeJP	NA	NA
+PJ051404	SVKYYW 	C43H56N8O10	844.412	NA	PeJP	NA	NA
+PJ051405	PCQRRW 	C36H56N14O8S	844.4127	NA	PeJP	NA	NA
+PJ051406	VTNNNQR 	C32H56N14O13	844.4151	NA	PeJP	NA	NA
+PJ051407	QQEERR 	C32H56N14O13	844.4152	NA	PeJP	NA	NA
+PJ051408	APVLEMW 	C40H60N8O10S	844.4153	NA	PeJP	NA	NA
+PJ051409	GPLLEMW 	C40H60N8O10S	844.4154	NA	PeJP	NA	NA
+PJ051410	ACCKKHR 	C33H60N14O8S2	844.416	NA	PeJP	NA	NA
+PJ051411	VVLQEEE 	C36H60N8O15	844.4178	NA	PeJP	NA	NA
+PJ051412	PTLKEEE 	C36H60N8O15	844.4179	NA	PeJP	NA	NA
+PJ051413	PPLKEMM 	C37H64N8O10S2	844.4187	NA	PeJP	NA	NA
+PJ051414	VQQERW 	C37H56N12O11	844.4192	NA	PeJP	NA	NA
+PJ051415	STTLMHR 	C34H60N12O11S	844.4225	NA	PeJP	NA	NA
+PJ051416	VTTTMHR 	C34H60N12O11S	844.4226	NA	PeJP	NA	NA
+MJ096060	Cyclotheonamide E; Cyclotheonamide E2 	C42H56N10O9	844.423173	NA	MeJP	NA	NA
+PJ051417	PTQKWW 	C42H56N10O9	844.4232	NA	PeJP	NA	NA
+PJ051418	KMHHHR 	C35H56N16O7S	844.4239	NA	PeJP	NA	NA
+PJ051419	NDERRR 	C31H56N16O12	844.4264	NA	PeJP	NA	NA
+PJ051420	GPVQKMW 	C39H60N10O9S	844.4266	NA	PeJP	NA	NA
+PJ051421	PPLFWW 	C47H56N8O7	844.4272	NA	PeJP	NA	NA
+PJ051422	GLLEEER 	C35H60N10O14	844.4291	NA	PeJP	NA	NA
+PJ051423	PPTLMMR 	C36H64N10O9S2	844.4299	NA	PeJP	NA	NA
+PJ051424	VVTKMMH 	C36H64N10O9S2	844.43	NA	PeJP	NA	NA
+MJ096061	11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-glucopyranoside] 	C38H68O20	844.430394	NA	MeJP	NA	NA
+PJ051425	AQERRW 	C36H56N14O10	844.4304	NA	PeJP	NA	NA
+PJ051426	PLLMWW 	C44H60N8O7S	844.4306	NA	PeJP	NA	NA
+MJ096062	N-Deacyltunicamycin; N4''-(14-Methyl-2-pentadecenoyl) 	C39H64N4O16	844.431732	NA	MeJP	NA	NA
+MJ096063	N-Deacyltunicamycin; N4''-(2-Hexadecenoyl) 	C39H64N4O16	844.431732	NA	MeJP	NA	NA
+PJ051427	GVLLEEW 	C40H60N8O12	844.4331	NA	PeJP	NA	NA
+PJ051428	GPTQMRR 	C33H60N14O10S	844.4338	NA	PeJP	NA	NA
+PJ051429	GLQRWW 	C41H56N12O8	844.4344	NA	PeJP	NA	NA
+MJ096064	Hydra RFamides; Hydra RFamide I 	C41H56N12O8	844.434406	NA	MeJP	NA	NA
+PJ051430	GGALRWW 	C41H56N12O8	844.4345	NA	PeJP	NA	NA
+PJ051431	PVLKEEM 	C37H64N8O12S	844.4365	NA	PeJP	NA	NA
+PJ051432	PQKMRW 	C38H60N12O8S	844.4378	NA	PeJP	NA	NA
+PJ051433	GVQKEER 	C34H60N12O13	844.4403	NA	PeJP	NA	NA
+PJ051434	ACKKKMH 	C35H64N12O8S2	844.4412	NA	PeJP	NA	NA
+PJ051435	GDRRRW 	C35H56N16O9	844.4417	NA	PeJP	NA	NA
+PJ051436	LLEERW 	C39H60N10O11	844.4443	NA	PeJP	NA	NA
+PJ051437	GGGVLKEW 	C39H60N10O11	844.4444	NA	PeJP	NA	NA
+PJ051438	GPTCRRR 	C32H60N16O9S	844.445	NA	PeJP	NA	NA
+MJ096065	12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosiduronate] 	C42H68O17	844.44565	NA	MeJP	NA	NA
+PJ051439	AARRWW 	C40H56N14O7	844.4457	NA	PeJP	NA	NA
+PJ051440	SPLLEMR 	C36H64N10O11S	844.4477	NA	PeJP	NA	NA
+PJ051441	VLLEWW 	C44H60N8O9	844.4484	NA	PeJP	NA	NA
+PJ051442	PCKRRW 	C37H60N14O7S	844.4491	NA	PeJP	NA	NA
+PJ051443	ASVQERR 	C33H60N14O12	844.4515	NA	PeJP	NA	NA
+PJ051444	QKEERR 	C33H60N14O12	844.4516	NA	PeJP	NA	NA
+PJ051445	SPVLLMW 	C41H64N8O9S	844.4517	NA	PeJP	NA	NA
+PJ051446	VVLKEEE 	C37H64N8O14	844.4542	NA	PeJP	NA	NA
+PJ051447	PLLLQMM 	C38H68N8O9S2	844.4551	NA	PeJP	NA	NA
+PJ051448	VQKERW 	C38H60N12O10	844.4556	NA	PeJP	NA	NA
+PJ051449	APDKKMR 	C35H64N12O10S	844.4589	NA	PeJP	NA	NA
+PJ051450	GPKKEMR 	C35H64N12O10S	844.459	NA	PeJP	NA	NA
+PJ051451	PTKKWW 	C43H60N10O8	844.4596	NA	PeJP	NA	NA
+MJ096066	Avermectin B1a; 3',3''-Di-O-de-Me 	C46H68O14	844.460906	NA	MeJP	NA	NA
+PJ051452	TQERRR 	C32H60N16O11	844.4628	NA	PeJP	NA	NA
+PJ051453	GPVKKMW 	C40H64N10O8S	844.463	NA	PeJP	NA	NA
+PJ051454	SVLLEER 	C36H64N10O13	844.4655	NA	PeJP	NA	NA
+PJ051455	PVVLMMR 	C37H68N10O8S2	844.4663	NA	PeJP	NA	NA
+PJ051456	AKERRW 	C37H60N14O9	844.4668	NA	PeJP	NA	NA
+PJ051457	ATLLLEW 	C41H64N8O11	844.4695	NA	PeJP	NA	NA
+PJ051458	GPTKMRR 	C34H64N14O9S	844.4702	NA	PeJP	NA	NA
+PJ051459	GLKRWW 	C42H60N12O7	844.4708	NA	PeJP	NA	NA
+PJ051460	VLLLQEM 	C38H68N8O11S	844.4729	NA	PeJP	NA	NA
+PJ051461	SDRRRR 	C31H60N18O10	844.474	NA	PeJP	NA	NA
+PJ051462	PKKMRW 	C39H64N12O7S	844.4742	NA	PeJP	NA	NA
+PJ051463	GVKKEER 	C35H64N12O12	844.4767	NA	PeJP	NA	NA
+PJ051464	ATRRRW 	C36H60N16O8	844.478	NA	PeJP	NA	NA
+PJ051465	GGPFRRR 	C36H60N16O8	844.4781	NA	PeJP	NA	NA
+PJ051466	AALKKEW 	C40H64N10O10	844.4807	NA	PeJP	NA	NA
+PJ051467	VQMRRR 	C33H64N16O8S	844.4814	NA	PeJP	NA	NA
+PJ051468	ALLLEMR 	C37H68N10O10S	844.4841	NA	PeJP	NA	NA
+PJ051469	LKKFFY 	C45H64N8O8	844.4847	NA	PeJP	NA	NA
+PJ051470	GPLLLFW 	C45H64N8O8	844.4848	NA	PeJP	NA	NA
+PJ051471	KKEERR 	C34H64N14O11	844.4879	NA	PeJP	NA	NA
+PJ051472	GGGDKKKR 	C34H64N14O11	844.488	NA	PeJP	NA	NA
+PJ051473	GLLLLMW 	C42H68N8O8S	844.4881	NA	PeJP	NA	NA
+PJ051474	TLLLKEE 	C38H68N8O13	844.4906	NA	PeJP	NA	NA
+PJ051475	PLLLKMM 	C39H72N8O8S2	844.4915	NA	PeJP	NA	NA
+PJ051476	VKKERW 	C39H64N12O9	844.492	NA	PeJP	NA	NA
+PJ051477	AMRRRR 	C32H64N18O7S	844.4927	NA	PeJP	NA	NA
+8285	antioxidative peptide	IPIQYVL	844.493	NA  ;SYN:(S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoate; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; 2-amino-5-guanidinovalerate; 2-amino-5-guanidinovaleric acid; 5-[(aminoiminomethyl)amino]-L-Norvaline; Arginine; L-(+)-Arginine; L-a-Amino-d-guanidinovalerate; L-a-Amino-d-guanidinovaleric acid; N5-(aminoiminomethyl)-L-Ornithine; L-alpha-Amino-delta-guanidinovalerate; L-alpha-Amino-delta-guanidinovaleric acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-Pentanoic acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-PentanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ051478	SPVKKMR 	C36H68N12O9S	844.4953	NA	PeJP	NA	NA
+PJ051479	VVKKWW 	C44H64N10O7	844.496	NA	PeJP	NA	NA
+PJ051480	TKERRR 	C33H64N16O10	844.4992	NA	PeJP	NA	NA
+PJ051481	TTLLLER 	C37H68N10O12	844.5018	NA	PeJP	NA	NA
+PJ051482	ALKKKEE 	C37H68N10O12	844.5019	NA	PeJP	NA	NA
+PJ051483	SLKRRW 	C38H64N14O8	844.5032	NA	PeJP	NA	NA
+PJ051484	STLLLLW 	C42H68N8O10	844.5059	NA	PeJP	NA	NA
+PJ051485	AALKMRR 	C35H68N14O8S	844.5066	NA	PeJP	NA	NA
+PJ051486	VLLLKEM 	C39H72N8O10S	844.5092	NA	PeJP	NA	NA
+PJ051487	LLLLDKM 	C39H72N8O10S	844.5093	NA	PeJP	NA	NA
+PJ051488	TTRRRR 	C32H64N18O9	844.5104	NA	PeJP	NA	NA
+PJ051489	ATLKKER 	C36H68N12O11	844.5131	NA	PeJP	NA	NA
+PJ051490	GTLLKKW 	C41H68N10O9	844.5171	NA	PeJP	NA	NA
+PJ051491	VKMRRR 	C34H68N16O7S	844.5178	NA	PeJP	NA	NA
+PJ051492	SLLLLMR 	C38H72N10O9S	844.5205	NA	PeJP	NA	NA
+PJ051493	ATTLKRR 	C35H68N14O10	844.5243	NA	PeJP	NA	NA
+PJ051494	SSSLLLLL 	C39H72N8O12	844.527	NA	PeJP	NA	NA
+PJ051495	QKKKKW 	C40H68N12O8	844.5283	NA	PeJP	NA	NA
+PJ051496	GAKKKKW 	C40H68N12O8	844.5284	NA	PeJP	NA	NA
+MJ096067	Foromacidin A; 18-Alcohol 	C43H76N2O14	844.529655	NA	MeJP	NA	NA
+PJ051497	GLLKKMR 	C37H72N12O8S	844.5317	NA	PeJP	NA	NA
+MJ096068	Antibiotic IKD 8344 	C48H76O12	844.533677	NA	MeJP	NA	NA
+C15766	Halstoctacosanolide A	C48H76O12	844.5337	NA	KEGG	NA	NA
+PJ051498	SLLKKKE 	C38H72N10O11	844.5382	NA	PeJP	NA	NA
+PJ051499	PVLLLKY 	C43H72N8O9	844.5423	NA	PeJP	NA	NA
+PJ051500	STLLKKR 	C37H72N12O10	844.5495	NA	PeJP	NA	NA
+PJ051501	ALLLLFR 	C42H72N10O8	844.5535	NA	PeJP	NA	NA
+PJ051502	VVLKKKM 	C39H76N10O8S	844.5569	NA	PeJP	NA	NA
+PJ051503	GTKKKKR 	C36H72N14O9	844.5607	NA	PeJP	NA	NA
+PJ051504	KKKKKW 	C41H72N12O7	844.5647	NA	PeJP	NA	NA
+PJ051505	VLLLLKF 	C44H76N8O8	844.5787	NA	PeJP	NA	NA
+PJ051506	SVKKKKK 	C38H76N12O9	844.5859	NA	PeJP	NA	NA
+MJ096069	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-octadecanoyl 	C54H84O7	844.621705	NA	MeJP	NA	NA
+MJ096070	Crambescidin 844 	C47H84N6O7	844.640149	NA	MeJP	NA	NA
+EUR1108	SM(d18:1/22:1) [M-H+acetate]-	C45H89N2O6P	844.666926	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1108	SM(d18:1/22:1) [M-H+acetate]-	C45H89N2O6P	844.666926	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1108	SM(d18:1/22:1) [M-H+acetate]-	C45H89N2O6P	844.666926	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1108	SM(d18:1/22:1) [M-H+acetate]-	C45H89N2O6P	844.666926	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096071	2-Amino-14-methyl-1,3,4-pentadecanetriol, N-(2R-Hydroxytricosanoyl), 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C47H92N2O10	844.675197	NA	MeJP	NA	NA
+HMDB11700	TG(15:0/16:0/20:2(11Z,14Z))[iso6]	C54H100O6	844.752014	NA	HMDB2010	NA	NA
+HMDB11703	TG(15:0/18:0/18:2(9Z,12Z))[iso6]	C54H100O6	844.752014	NA	HMDB2010	NA	NA
+HMDB11707	TG(15:0/18:1(9Z)/18:1(9Z))[iso3]	C54H100O6	844.752014	NA	HMDB2010	NA	NA
+MJ096072	1-Octacosanol; Triacontanoyl 	C58H116O2	844.897532	NA	MeJP	NA	NA
+3152	erythropoietin receptor agonist peptide	EGCRRGWVGQCKAWFN	844.91645	MH2+	Inhouse_peptide	NA	peptide
+2640	synthetic fr, of human beta-CN (39-52) ACE inhibitor	KIYPSFQPQPLIYP	844.948	MH2+	Inhouse_peptide	NA	peptide
+3323	NA	ELYENKPRRPYIL	844.95245	MH2+	Inhouse_peptide	NA	peptide
+PJ051507	GCCCCNDE 	C27H43N9O14S4	845.1813	NA	PeJP	NA	NA
+PJ051508	CCCCNDW 	C31H43N9O11S4	845.1965	NA	PeJP	NA	NA
+PJ051509	SSCCCNDD 	C27H43N9O16S3	845.199	NA	PeJP	NA	NA
+PJ051510	SPCCCCCQ 	C28H47N9O11S5	845.1999	NA	PeJP	NA	NA
+PJ051511	CCDDEMM 	C29H47N7O14S4	845.2064	NA	PeJP	NA	NA
+PJ051512	CCCCMHF 	C32H47N9O8S5	845.2152	NA	PeJP	NA	NA
+PJ051513	GSCCCNEM 	C28H47N9O13S4	845.2177	NA	PeJP	NA	NA
+PJ051514	CCDDDEF 	C32H43N7O16S2	845.2208	NA	PeJP	NA	NA
+PJ051515	CCCDEHH 	C30H43N11O12S3	845.2255	NA	PeJP	NA	NA
+PJ051516	GSCCCCDR 	C27H47N11O12S4	845.2289	NA	PeJP	NA	NA
+PJ051517	DDDDDDH 	C30H39N9O20	845.2312	NA	PeJP	NA	NA
+PJ051518	CCNNDDY 	C31H43N9O15S2	845.232	NA	PeJP	NA	NA
+PJ051519	GGGGCCDDY 	C31H43N9O15S2	845.2321	NA	PeJP	NA	NA
+PJ051520	SCCCNMW 	C32H47N9O10S4	845.2329	NA	PeJP	NA	NA
+PJ051521	SSSCCNDM 	C28H47N9O15S3	845.2354	NA	PeJP	NA	NA
+PJ051522	CCNNMMM 	C29H51N9O10S5	845.2363	NA	PeJP	NA	NA
+PJ051523	SCDDDEY 	C32H43N7O18S	845.2386	NA	PeJP	NA	NA
+PJ051524	PCCDDMY 	C33H47N7O13S3	845.2394	NA	PeJP	NA	NA
+PJ051525	SCDEMMM 	C30H51N7O13S4	845.2428	NA	PeJP	NA	NA
+PJ051526	PCCMMMM 	C31H55N7O8S6	845.2437	NA	PeJP	NA	NA
+PJ051527	CCCCQMR 	C28H51N11O9S5	845.2475	NA	PeJP	NA	NA
+PJ051528	GSSTCCCW 	C32H47N9O12S3	845.2507	NA	PeJP	NA	NA
+PJ051529	GSSSSSCCE 	C28H47N9O17S2	845.2532	NA	PeJP	NA	NA
+PJ051530	GSSCCQMM 	C29H51N9O12S4	845.254	NA	PeJP	NA	NA
+C11442	Aromatized C-1027 chromophore	C43H44ClN3O13	845.2563	NA	KEGG	NA	NA
+PJ051531	GDDDMMY 	C33H47N7O15S2	845.2572	NA	PeJP	NA	NA
+PJ051532	PCCDMMF 	C34H51N7O10S4	845.2581	NA	PeJP	NA	NA
+PJ051533	CCCCCRR 	C27H51N13O8S5	845.2588	NA	PeJP	NA	NA
+PJ051534	CNNDDEH 	C30H43N11O16S	845.261	NA	PeJP	NA	NA
+PJ051535	GGGACDDDH 	C30H43N11O16S	845.2611	NA	PeJP	NA	NA
+PJ051536	GDMMMMM 	C31H55N7O10S5	845.2614	NA	PeJP	NA	NA
+PJ051537	SCCEMHH 	C31H47N11O11S3	845.2619	NA	PeJP	NA	NA
+PJ051538	GSSCCCMR 	C28H51N11O11S4	845.2653	NA	PeJP	NA	NA
+PJ051539	GCCCQFW 	C36H47N9O9S3	845.2659	NA	PeJP	NA	NA
+PJ051540	SDDDEEH 	C31H43N9O19	845.2676	NA	PeJP	NA	NA
+PJ051541	SSSSSCCW 	C32H47N9O14S2	845.2684	NA	PeJP	NA	NA
+PJ051542	TCCCCKW 	C33H51N9O9S4	845.2693	NA	PeJP	NA	NA
+PJ051543	SSSSSSSCD 	C28H47N9O19S	845.2709	NA	PeJP	NA	NA
+PJ051544	GDDDDFY 	C36H43N7O17	845.2716	NA	PeJP	NA	NA
+PJ051545	SSSSCNMM 	C29H51N9O14S3	845.2718	NA	PeJP	NA	NA
+PJ051546	CDEMYW 	C37H47N7O12S2	845.2724	NA	PeJP	NA	NA
+PJ051547	PCCDDFF 	C37H47N7O12S2	845.2725	NA	PeJP	NA	NA
+PJ051548	CCCQKMM 	C30H55N9O9S5	845.2727	NA	PeJP	NA	NA
+PJ051549	SSDDEMY 	C33H47N7O17S	845.2749	NA	PeJP	NA	NA
+PJ051550	SPCDMMY 	C34H51N7O12S3	845.2758	NA	PeJP	NA	NA
+PJ051551	GCNDDHW 	C34H43N11O13S	845.2763	NA	PeJP	NA	NA
+PJ051552	PCCCHHF 	C35H47N11O8S3	845.2772	NA	PeJP	NA	NA
+PJ051553	GSSNDDDH 	C30H43N11O18	845.2788	NA	PeJP	NA	NA
+PJ051554	SSEMMMM 	C31H55N7O12S4	845.2792	NA	PeJP	NA	NA
+PJ051555	GSPCCNEH 	C31H47N11O13S2	845.2797	NA	PeJP	NA	NA
+PJ051556	GCMMMHH 	C32H51N11O8S4	845.2805	NA	PeJP	NA	NA
+PJ051557	SSSTCCCR 	C28H51N11O13S3	845.283	NA	PeJP	NA	NA
+PJ051558	GSCCQYW 	C36H47N9O11S2	845.2837	NA	PeJP	NA	NA
+PJ051559	CCCCKMR 	C29H55N11O8S5	845.2839	NA	PeJP	NA	NA
+PJ051560	GSSSCNEY 	C32H47N9O16S	845.2862	NA	PeJP	NA	NA
+PJ051561	GCNQMMY 	C33H51N9O11S3	845.287	NA	PeJP	NA	NA
+PJ051562	GGGCQMMY 	C33H51N9O11S3	845.2871	NA	PeJP	NA	NA
+PJ051563	GSSSSSTCM 	C29H51N9O16S2	845.2895	NA	PeJP	NA	NA
+PJ051564	GPCDEYY 	C37H47N7O14S	845.2902	NA	PeJP	NA	NA
+PJ051565	GSSCCKMM 	C30H55N9O11S4	845.2904	NA	PeJP	NA	NA
+PJ051566	CNNNNMH 	C30H47N13O12S2	845.2909	NA	PeJP	NA	NA
+PJ051567	CEMMFW 	C38H51N7O9S3	845.2911	NA	PeJP	NA	NA
+PJ051568	GSEEMMY 	C34H51N7O14S2	845.2936	NA	PeJP	NA	NA
+PJ051569	APCMMMY 	C35H55N7O9S4	845.2944	NA	PeJP	NA	NA
+PJ051570	SPCCNHW 	C35H47N11O10S2	845.2949	NA	PeJP	NA	NA
+PJ051571	SNNDEMH 	C31H47N11O15S	845.2974	NA	PeJP	NA	NA
+PJ051572	ATMMMMM 	C32H59N7O9S5	845.2978	NA	PeJP	NA	NA
+PJ051573	GCCNMRY 	C32H51N11O10S3	845.2983	NA	PeJP	NA	NA
+PJ051574	SSSCNYW 	C36H47N9O13S	845.3014	NA	PeJP	NA	NA
+PJ051575	GGPPCDDW 	C36H47N9O13S	845.3015	NA	PeJP	NA	NA
+PJ051576	GCCCKFW 	C37H51N9O8S3	845.3023	NA	PeJP	NA	NA
+PJ051577	SSSSSNDY 	C32H47N9O18	845.3039	NA	PeJP	NA	NA
+PJ051578	GGPNDEEE 	C32H47N9O18	845.304	NA	PeJP	NA	NA
+PJ051579	SSNNMMY 	C33H51N9O13S2	845.3048	NA	PeJP	NA	NA
+PJ051580	GDDEHHH 	C33H43N13O14	845.3053	NA	PeJP	NA	NA
+PJ051581	PCDYYW 	C41H47N7O11S	845.3055	NA	PeJP	NA	NA
+PJ051582	PPCMMMH 	C34H55N9O8S4	845.3057	NA	PeJP	NA	NA
+PJ051583	SSSSSSSSM 	C29H51N9O18S	845.3073	NA	PeJP	NA	NA
+PJ051584	DQEEYY 	C37H47N7O16	845.3079	NA	PeJP	NA	NA
+PJ051585	NEEEYY 	C37H47N7O16	845.308	NA	PeJP	NA	NA
+PJ051586	SSSTCCKM 	C30H55N9O13S3	845.3082	NA	PeJP	NA	NA
+PJ051587	SCNDDHR 	C30H47N13O14S	845.3086	NA	PeJP	NA	NA
+PJ051588	GGSCDDHR 	C30H47N13O14S	845.3087	NA	PeJP	NA	NA
+PJ051589	SEMMYW 	C38H51N7O11S2	845.3088	NA	PeJP	NA	NA
+PJ051590	CCCKKMM 	C31H59N9O8S5	845.3091	NA	PeJP	NA	NA
+PJ051591	PCCCQHR 	C31H51N13O9S3	845.3095	NA	PeJP	NA	NA
+MJ096073	Perdeacyleuojaponin; 1-(2-Methyl-2-butenoyl)(?-), 2,6,8,9,14-penta-Ac 	C41H51NO18	845.310613	NA	MeJP	NA	NA
+PJ051592	SSTEEMY 	C34H51N7O16S	845.3113	NA	PeJP	NA	NA
+PJ051593	AAEMMMY 	C35H55N7O11S3	845.3122	NA	PeJP	NA	NA
+PJ051594	GSNDMHW 	C35H47N11O12S	845.3127	NA	PeJP	NA	NA
+PJ051595	PNDDDDR 	C31H47N11O17	845.3152	NA	PeJP	NA	NA
+PJ051596	TTTMMMM 	C32H59N7O11S4	845.3156	NA	PeJP	NA	NA
+PJ051597	SSCCQRY 	C32H51N11O12S2	845.316	NA	PeJP	NA	NA
+PJ051598	GGGQEMMH 	C32H51N11O12S2	845.3161	NA	PeJP	NA	NA
+PJ051599	CNNFYW 	C40H47N9O10S	845.3167	NA	PeJP	NA	NA
+PJ051600	GPNDEEW 	C36H47N9O15	845.3192	NA	PeJP	NA	NA
+PJ051601	GSCCKYW 	C37H51N9O10S2	845.3201	NA	PeJP	NA	NA
+PJ051602	DDHHHW 	C37H43N13O11	845.3205	NA	PeJP	NA	NA
+PJ051603	GSSSSQMY 	C33H51N9O15S	845.3226	NA	PeJP	NA	NA
+PJ051604	GEEYYW 	C41H47N7O13	845.3232	NA	PeJP	NA	NA
+PJ051605	DMMMRY 	C34H55N9O10S3	845.3234	NA	PeJP	NA	NA
+PJ051606	GGGPPPCMM 	C34H55N9O10S3	845.3235	NA	PeJP	NA	NA
+PJ051607	SPCEHHH 	C34H47N13O11S	845.3239	NA	PeJP	NA	NA
+PJ051608	PCMFYW 	C42H51N7O8S2	845.3241	NA	PeJP	NA	NA
+PJ051609	SSSSNNNH 	C30H47N13O16	845.3264	NA	PeJP	NA	NA
+PJ051610	GGGGGGGGGGGAE 	C30H47N13O16	845.3265	NA	PeJP	NA	NA
+PJ051611	GSPEMYY 	C38H51N7O13S	845.3266	NA	PeJP	NA	NA
+PJ051612	GCNEMHR 	C31H51N13O11S2	845.3273	NA	PeJP	NA	NA
+PJ051613	CLMMYW 	C39H55N7O8S3	845.3275	NA	PeJP	NA	NA
+PJ051614	SCQHWW 	C39H47N11O9S	845.3279	NA	PeJP	NA	NA
+PJ051615	PVDEEEE 	C34H51N7O18	845.3291	NA	PeJP	NA	NA
+PJ051616	ATTEMMY 	C35H55N7O13S2	845.3299	NA	PeJP	NA	NA
+PJ051617	SSVEMMY 	C35H55N7O13S2	845.33	NA	PeJP	NA	NA
+PJ051618	SSSNEHW 	C35H47N11O14	845.3304	NA	PeJP	NA	NA
+PJ051619	GGGGGGSPDW 	C35H47N11O14	845.3305	NA	PeJP	NA	NA
+PJ051620	GVMMMMF 	C36H59N7O8S4	845.3308	NA	PeJP	NA	NA
+PJ051621	NQMMHW 	C36H51N11O9S2	845.3313	NA	PeJP	NA	NA
+PJ051622	GSSSSCRY 	C32H51N11O14S	845.3338	NA	PeJP	NA	NA
+PJ051623	SNNYYW 	C40H47N9O12	845.3344	NA	PeJP	NA	NA
+PJ051624	PNDEWW 	C40H47N9O12	845.3345	NA	PeJP	NA	NA
+PJ051625	ACCCKRY 	C33H55N11O9S3	845.3347	NA	PeJP	NA	NA
+PJ051626	GNNMHHH 	C33H47N15O10S	845.3351	NA	PeJP	NA	NA
+PJ051627	GGGNMHHH 	C33H47N15O10S	845.3352	NA	PeJP	NA	NA
+PJ051628	SPPNDMW 	C37H51N9O12S	845.3378	NA	PeJP	NA	NA
+PJ051629	EYYWW 	C45H47N7O10	845.3385	NA	PeJP	NA	NA
+PJ051630	SSSSSTQY 	C33H51N9O17	845.3403	NA	PeJP	NA	NA
+PJ051631	SSCQKMY 	C34H55N9O12S2	845.3412	NA	PeJP	NA	NA
+PJ051632	GNNNNQW 	C34H47N13O13	845.3417	NA	PeJP	NA	NA
+PJ051633	SPMYYW 	C42H51N7O10S	845.3418	NA	PeJP	NA	NA
+PJ051634	GPCEFFF 	C42H51N7O10S	845.3419	NA	PeJP	NA	NA
+PJ051635	MMMMFR 	C35H59N9O7S4	845.3421	NA	PeJP	NA	NA
+PJ051636	CNMHRW 	C35H51N13O8S2	845.3425	NA	PeJP	NA	NA
+PJ051637	DKEEYY 	C38H51N7O15	845.3443	NA	PeJP	NA	NA
+PJ051638	PPPDEEY 	C38H51N7O15	845.3444	NA	PeJP	NA	NA
+PJ051639	SSNDMHR 	C31H51N13O13S	845.345	NA	PeJP	NA	NA
+PJ051640	GGGGPCNER 	C31H51N13O13S	845.3451	NA	PeJP	NA	NA
+PJ051641	AAPMMYY 	C39H55N7O10S2	845.3452	NA	PeJP	NA	NA
+PJ051642	GSSSHWW 	C39H47N11O11	845.3457	NA	PeJP	NA	NA
+PJ051643	PCCCKHR 	C32H55N13O8S3	845.3459	NA	PeJP	NA	NA
+MJ096074	Marcellomycin 	C42H55NO17	845.346999	NA	MeJP	NA	NA
+PJ051644	TTTTEMY 	C35H55N7O15S	845.3477	NA	PeJP	NA	NA
+PJ051645	GTLMMMY 	C36H59N7O10S3	845.3486	NA	PeJP	NA	NA
+PJ051646	CNQRYY 	C36H51N11O11S	845.349	NA	PeJP	NA	NA
+PJ051647	GSTQMHW 	C36H51N11O11S	845.3491	NA	PeJP	NA	NA
+PJ051648	GPDWWW 	C44H47N9O9	845.3497	NA	PeJP	NA	NA
+PJ051649	ASSSTQEH 	C32H51N11O16	845.3515	NA	PeJP	NA	NA
+PJ051650	SPNDEER 	C32H51N11O16	845.3516	NA	PeJP	NA	NA
+PJ051651	SSCCKRY 	C33H55N11O11S2	845.3524	NA	PeJP	NA	NA
+PJ051652	GGGGAPPCCK 	C33H55N11O11S2	845.3525	NA	PeJP	NA	NA
+PJ051653	SSNQHHH 	C33H47N15O12	845.3529	NA	PeJP	NA	NA
+PJ051654	GPPTCWW 	C41H51N9O9S	845.3531	NA	PeJP	NA	NA
+PJ051655	GPTQEEW 	C37H51N9O14	845.3556	NA	PeJP	NA	NA
+PJ051656	APPNMMW 	C38H55N9O9S2	845.3564	NA	PeJP	NA	NA
+PJ051657	LEMMHW 	C38H55N9O9S2	845.3565	NA	PeJP	NA	NA
+PJ051658	TEHHHW 	C38H47N13O10	845.3569	NA	PeJP	NA	NA
+PJ051659	PCFFFW 	C46H51N7O7S	845.3571	NA	PeJP	NA	NA
+PJ051660	GSSSSKMY 	C34H55N9O14S	845.3589	NA	PeJP	NA	NA
+PJ051661	STLEEMH 	C34H55N9O14S	845.359	NA	PeJP	NA	NA
+PJ051662	SVEYYW 	C42H51N7O12	845.3596	NA	PeJP	NA	NA
+PJ051663	ACCKKMY 	C35H59N9O9S3	845.3598	NA	PeJP	NA	NA
+PJ051664	GSTCHRW 	C35H51N13O10S	845.3603	NA	PeJP	NA	NA
+PJ051665	CLMFFW 	C43H55N7O7S2	845.3605	NA	PeJP	NA	NA
+PJ051666	GNHFWW 	C43H47N11O8	845.3609	NA	PeJP	NA	NA
+PJ051667	GGGHFWW 	C43H47N11O8	845.361	NA	PeJP	NA	NA
+PJ051668	GSSSSEHR 	C31H51N13O15	845.3628	NA	PeJP	NA	NA
+PJ051669	LQEMYY 	C39H55N7O12S	845.363	NA	PeJP	NA	NA
+PJ051670	PPCCDRR 	C32H55N13O10S2	845.3637	NA	PeJP	NA	NA
+PJ051671	SCKHWW 	C40H51N11O8S	845.3643	NA	PeJP	NA	NA
+PJ051672	PTLEEEE 	C35H55N7O17	845.3655	NA	PeJP	NA	NA
+PJ051673	STTLMMY 	C36H59N7O12S2	845.3663	NA	PeJP	NA	NA
+PJ051674	GSPDERW 	C36H51N11O13	845.3668	NA	PeJP	NA	NA
+PJ051675	GPPCMRW 	C37H55N11O8S2	845.3677	NA	PeJP	NA	NA
+PJ051676	GPQEEMR 	C33H55N11O13S	845.3702	NA	PeJP	NA	NA
+PJ051677	PTQEWW 	C41H51N9O11	845.3708	NA	PeJP	NA	NA
+PJ051678	GGGPPEFW 	C41H51N9O11	845.3709	NA	PeJP	NA	NA
+PJ051679	PCCKKMH 	C34H59N11O8S3	845.3711	NA	PeJP	NA	NA
+PJ051680	EMHHHR 	C34H51N15O9S	845.3715	NA	PeJP	NA	NA
+PJ051681	GNNDDRR 	C30H51N15O14	845.374	NA	PeJP	NA	NA
+PJ051682	GGGGGDDRR 	C30H51N15O14	845.3741	NA	PeJP	NA	NA
+PJ051683	GPVQEMW 	C38H55N9O11S	845.3742	NA	PeJP	NA	NA
+PJ051684	APFYYW 	C46H51N7O9	845.3749	NA	PeJP	NA	NA
+PJ051685	VMHHHW 	C39H51N13O7S	845.3756	NA	PeJP	NA	NA
+PJ051686	SSSSSTKY 	C34H55N9O16	845.3767	NA	PeJP	NA	NA
+PJ051687	SSCKKMY 	C35H59N9O11S2	845.3776	NA	PeJP	NA	NA
+PJ051688	SSSSHRW 	C35H51N13O12	845.378	NA	PeJP	NA	NA
+PJ051689	GGNQERW 	C35H51N13O12	845.3781	NA	PeJP	NA	NA
+PJ051690	ALMYYW 	C43H55N7O9S	845.3782	NA	PeJP	NA	NA
+PJ051691	AAHHHHH 	C36H47N17O8	845.3794	NA	PeJP	NA	NA
+PJ051692	GTTLEYY 	C39H55N7O14	845.3807	NA	PeJP	NA	NA
+PJ051693	GPDDMRR 	C32H55N13O12S	845.3814	NA	PeJP	NA	NA
+PJ051694	AALMMFY 	C40H59N7O9S2	845.3816	NA	PeJP	NA	NA
+PJ051695	SPDRWW 	C40H51N11O10	845.3821	NA	PeJP	NA	NA
+PJ051696	PVLEEEM 	C36H59N7O14S	845.3841	NA	PeJP	NA	NA
+PJ051697	PQEMRW 	C37H55N11O10S	845.3854	NA	PeJP	NA	NA
+PJ051698	GAPEMRW 	C37H55N11O10S	845.3855	NA	PeJP	NA	NA
+PJ051699	APTWWW 	C45H51N9O8	845.3861	NA	PeJP	NA	NA
+PJ051700	SPTQEER 	C33H55N11O15	845.3879	NA	PeJP	NA	NA
+PJ051701	GVQEEER 	C33H55N11O15	845.388	NA	PeJP	NA	NA
+PJ051702	SPPQMMR 	C34H59N11O10S2	845.3888	NA	PeJP	NA	NA
+PJ051703	GPNEHHR 	C34H51N15O11	845.3893	NA	PeJP	NA	NA
+PJ051704	PVQMWW 	C42H55N9O8S	845.3895	NA	PeJP	NA	NA
+PJ051705	ASSQKYY 	C38H55N9O13	845.3919	NA	PeJP	NA	NA
+PJ051706	GPTKEEW 	C38H55N9O13	845.392	NA	PeJP	NA	NA
+PJ051707	SSTCHRR 	C31H55N15O11S	845.3927	NA	PeJP	NA	NA
+PJ051708	GPPKMMW 	C39H59N9O8S2	845.3928	NA	PeJP	NA	NA
+PJ051709	GNQRWW 	C39H51N13O9	845.3933	NA	PeJP	NA	NA
+PJ051710	PVNKEEM 	C35H59N9O13S	845.3953	NA	PeJP	NA	NA
+PJ051711	GGPVKEEM 	C35H59N9O13S	845.3954	NA	PeJP	NA	NA
+PJ051712	TTLYYW 	C43H55N7O11	845.396	NA	PeJP	NA	NA
+PJ051713	ALLMMMH 	C36H63N9O8S3	845.3962	NA	PeJP	NA	NA
+PJ051714	PCERRW 	C36H55N13O9S	845.3967	NA	PeJP	NA	NA
+PJ051715	QEEERR 	C32H55N13O14	845.3992	NA	PeJP	NA	NA
+PJ051716	LKEMYY 	C40H59N7O11S	845.3994	NA	PeJP	NA	NA
+PJ051717	ATCKMHR 	C33H59N13O9S2	845.4	NA	PeJP	NA	NA
+PJ051718	SPPCMRR 	C33H59N13O9S2	845.4001	NA	PeJP	NA	NA
+PJ051719	APMRWW 	C41H55N11O7S	845.4007	NA	PeJP	NA	NA
+PJ051720	VVLEEEE 	C36H59N7O16	845.4019	NA	PeJP	NA	NA
+PJ051721	VQEERW 	C37H55N11O12	845.4032	NA	PeJP	NA	NA
+PJ051722	PNHHRW 	C38H51N15O8	845.4045	NA	PeJP	NA	NA
+PJ051723	GGPHHRW 	C38H51N15O8	845.4046	NA	PeJP	NA	NA
+PJ051724	GPKEEMR 	C34H59N11O12S	845.4066	NA	PeJP	NA	NA
+PJ051725	PTKEWW 	C42H55N9O10	845.4072	NA	PeJP	NA	NA
+PJ051726	CQHFRR 	C35H55N15O8S	845.4079	NA	PeJP	NA	NA
+PJ051727	DDERRR 	C31H55N15O13	845.4104	NA	PeJP	NA	NA
+PJ051728	GPVKEMW 	C39H59N9O10S	845.4106	NA	PeJP	NA	NA
+PJ051729	ALFFYW 	C47H55N7O8	845.4112	NA	PeJP	NA	NA
+PJ051730	SPKKEEE 	C35H59N9O15	845.4131	NA	PeJP	NA	NA
+PJ051731	TTLLMMH 	C36H63N9O10S2	845.414	NA	PeJP	NA	NA
+PJ051732	AEERRW 	C36H55N13O11	845.4144	NA	PeJP	NA	NA
+PJ051733	GGGGKERW 	C36H55N13O11	845.4145	NA	PeJP	NA	NA
+PJ051734	AALMFFF 	C44H59N7O8S	845.4146	NA	PeJP	NA	NA
+PJ051735	SSTLLYY 	C40H59N7O13	845.4171	NA	PeJP	NA	NA
+PJ051736	GPTEMRR 	C33H59N13O11S	845.4178	NA	PeJP	NA	NA
+PJ051737	AQQKWW 	C41H55N11O9	845.4184	NA	PeJP	NA	NA
+PJ051738	GLERWW 	C41H55N11O9	845.4185	NA	PeJP	NA	NA
+PJ051739	PKEMRW 	C38H59N11O9S	845.4218	NA	PeJP	NA	NA
+PJ051740	GVLWWW 	C46H55N9O7	845.4225	NA	PeJP	NA	NA
+PJ051741	GVKEEER 	C34H59N11O14	845.4243	NA	PeJP	NA	NA
+PJ051742	GGGAAKKEE 	C34H59N11O14	845.4244	NA	PeJP	NA	NA
+PJ051743	SPPKMMR 	C35H63N11O9S2	845.4252	NA	PeJP	NA	NA
+PJ051744	SNQRRW 	C35H55N15O10	845.4257	NA	PeJP	NA	NA
+PJ051745	PVKMWW 	C43H59N9O7S	845.4259	NA	PeJP	NA	NA
+PJ051746	ASLLQEW 	C39H59N9O12	845.4283	NA	PeJP	NA	NA
+PJ051747	AALKEEW 	C39H59N9O12	845.4284	NA	PeJP	NA	NA
+PJ051748	QQQMRR 	C32H59N15O10S	845.429	NA	PeJP	NA	NA
+PJ051749	GGAAQMRR 	C32H59N15O10S	845.4291	NA	PeJP	NA	NA
+PJ051750	GNKRWW 	C40H55N13O8	845.4297	NA	PeJP	NA	NA
+PJ051751	PVDKKEM 	C36H63N9O12S	845.4317	NA	PeJP	NA	NA
+PJ051752	PLKYYY 	C44H59N7O10	845.4324	NA	PeJP	NA	NA
+PJ051753	PTMRRW 	C37H59N13O8S	845.4331	NA	PeJP	NA	NA
+PJ051754	LRWWW 	C45H55N11O6	845.4337	NA	PeJP	NA	NA
+PJ051755	KEEERR 	C33H59N13O13	845.4356	NA	PeJP	NA	NA
+PJ051756	PPLLEMF 	C41H63N7O10S	845.4358	NA	PeJP	NA	NA
+PJ051757	GPVMMRR 	C34H63N13O8S2	845.4364	NA	PeJP	NA	NA
+PJ051758	GSPHHRR 	C34H55N17O9	845.4369	NA	PeJP	NA	NA
+PJ051759	TLLLEEE 	C37H63N7O15	845.4383	NA	PeJP	NA	NA
+PJ051760	PLLLEMM 	C38H67N7O10S2	845.4391	NA	PeJP	NA	NA
+PJ051761	VKEERW 	C38H59N11O11	845.4396	NA	PeJP	NA	NA
+PJ051762	NNMRRR 	C31H59N17O9S	845.4403	NA	PeJP	NA	NA
+PJ051763	LHHHFR 	C39H55N15O7	845.4409	NA	PeJP	NA	NA
+PJ051764	SPQQKKM 	C35H63N11O11S	845.4429	NA	PeJP	NA	NA
+PJ051765	SPVKEMR 	C35H63N11O11S	845.443	NA	PeJP	NA	NA
+PJ051766	VVKEWW 	C43H59N9O9	845.4436	NA	PeJP	NA	NA
+PJ051767	CKHFRR 	C36H59N15O7S	845.4443	NA	PeJP	NA	NA
+PJ051768	TEERRR 	C32H59N15O12	845.4468	NA	PeJP	NA	NA
+PJ051769	APTLKMW 	C40H63N9O9S	845.447	NA	PeJP	NA	NA
+PJ051770	PMMRRR 	C33H63N15O7S2	845.4477	NA	PeJP	NA	NA
+PJ051771	ALKKEEE 	C36H63N9O14	845.4495	NA	PeJP	NA	NA
+PJ051772	PVLQKMM 	C37H67N9O9S2	845.4504	NA	PeJP	NA	NA
+PJ051773	SLERRW 	C37H59N13O10	845.4508	NA	PeJP	NA	NA
+PJ051774	PVLLEEF 	C41H63N7O12	845.4535	NA	PeJP	NA	NA
+PJ051775	AALEMRR 	C34H63N13O10S	845.4542	NA	PeJP	NA	NA
+PJ051776	SVLRWW 	C42H59N11O8	845.4548	NA	PeJP	NA	NA
+PJ051777	GAAKKWW 	C42H59N11O8	845.4549	NA	PeJP	NA	NA
+PJ051778	VLLLEEM 	C38H67N7O12S	845.4569	NA	PeJP	NA	NA
+PJ051779	GSSQRRR 	C31H59N17O11	845.458	NA	PeJP	NA	NA
+PJ051780	LLQMRW 	C39H63N11O8S	845.4582	NA	PeJP	NA	NA
+MJ096075	Rotihibin B; 2''-Amide 	C35H63N11O13	845.460681	NA	MeJP	NA	NA
+PJ051781	ATLKEER 	C35H63N11O13	845.4607	NA	PeJP	NA	NA
+MJ096076	Myomodulin A 	C36H67N11O8S2	845.461549	NA	MeJP	NA	NA
+PJ051782	APLKMMR 	C36H67N11O8S2	845.4616	NA	PeJP	NA	NA
+PJ051783	SNKRRW 	C36H59N15O9	845.4621	NA	PeJP	NA	NA
+PJ051784	GTLLKEW 	C40H63N9O11	845.4647	NA	PeJP	NA	NA
+PJ051785	GGGGPLLLY 	C40H63N9O11	845.4648	NA	PeJP	NA	NA
+PJ051786	VEMRRR 	C33H63N15O9S	845.4654	NA	PeJP	NA	NA
+PJ051787	PTLKKEM 	C37H67N9O11S	845.4681	NA	PeJP	NA	NA
+PJ051788	LLKFYY 	C45H63N7O9	845.4688	NA	PeJP	NA	NA
+PJ051789	VVMRRW 	C38H63N13O7S	845.4695	NA	PeJP	NA	NA
+PJ051790	ATTLERR 	C34H63N13O12	845.4719	NA	PeJP	NA	NA
+PJ051791	GGATKKER 	C34H63N13O12	845.472	NA	PeJP	NA	NA
+PJ051792	PPLLLMY 	C42H67N7O9S	845.4721	NA	PeJP	NA	NA
+PJ051793	LQHHRR 	C35H59N17O8	845.4733	NA	PeJP	NA	NA
+PJ051794	GTTLLRW 	C39H63N11O10	845.476	NA	PeJP	NA	NA
+PJ051795	CQKRRR 	C32H63N17O8S	845.4767	NA	PeJP	NA	NA
+MJ096077	Spiramycin S; 18-Aldehyde 	C42H71NO16	845.477285	NA	MeJP	NA	NA
+PJ051796	VVVDKMR 	C36H67N11O10S	845.4793	NA	PeJP	NA	NA
+PJ051797	GLLKEMR 	C36H67N11O10S	845.4794	NA	PeJP	NA	NA
+PJ051798	TLLKWW 	C44H63N9O8	845.48	NA	PeJP	NA	NA
+PJ051799	GSDKKRR 	C33H63N15O11	845.4832	NA	PeJP	NA	NA
+PJ051800	GVLLKMW 	C41H67N9O8S	845.4834	NA	PeJP	NA	NA
+PJ051801	SLLKKEE 	C37H67N9O13	845.4859	NA	PeJP	NA	NA
+PJ051802	PVLKKMM 	C38H71N9O8S2	845.4867	NA	PeJP	NA	NA
+PJ051803	TQKKRW 	C38H63N13O9	845.4872	NA	PeJP	NA	NA
+PJ051804	PVLLLEY 	C42H67N7O11	845.4899	NA	PeJP	NA	NA
+PJ051805	GTLLMRR 	C35H67N13O9S	845.4906	NA	PeJP	NA	NA
+PJ051806	AKKKWW 	C43H63N11O7	845.4912	NA	PeJP	NA	NA
+PJ051807	GSSKRRR 	C32H63N17O10	845.4944	NA	PeJP	NA	NA
+PJ051808	LLKMRW 	C40H67N11O7S	845.4946	NA	PeJP	NA	NA
+PJ051809	STLLKER 	C36H67N11O12	845.4971	NA	PeJP	NA	NA
+PJ051810	PVRRRY 	C37H63N15O8	845.4984	NA	PeJP	NA	NA
+PJ051811	APPLHRR 	C37H63N15O8	845.4985	NA	PeJP	NA	NA
+PJ051812	SSLLLKW 	C41H67N9O10	845.5011	NA	PeJP	NA	NA
+PJ051813	QKKMRR 	C34H67N15O8S	845.5018	NA	PeJP	NA	NA
+PJ051814	VVLKKEM 	C38H71N9O10S	845.5045	NA	PeJP	NA	NA
+PJ051815	PPLLLFF 	C46H67N7O8	845.5052	NA	PeJP	NA	NA
+PJ051816	STTLLRR 	C35H67N13O11	845.5083	NA	PeJP	NA	NA
+PJ051817	GGGGSKKKK 	C35H67N13O11	845.5084	NA	PeJP	NA	NA
+PJ051818	PLLLLMF 	C43H71N7O8S	845.5085	NA	PeJP	NA	NA
+PJ051819	LKHHRR 	C36H63N17O7	845.5097	NA	PeJP	NA	NA
+PJ051820	LLLLLMM 	C40H75N7O8S2	845.5119	NA	PeJP	NA	NA
+PJ051821	KKKKEW 	C40H67N11O9	845.5124	NA	PeJP	NA	NA
+PJ051822	CKKRRR 	C33H67N17O7S	845.5131	NA	PeJP	NA	NA
+PJ051823	SVLLKMR 	C37H71N11O9S	845.5157	NA	PeJP	NA	NA
+PJ051824	GTTKKRR 	C34H67N15O10	845.5196	NA	PeJP	NA	NA
+PJ051825	ASTTLLLK 	C38H71N9O12	845.5222	NA	PeJP	NA	NA
+PJ051826	GTTTLLLK 	C38H71N9O12	845.5223	NA	PeJP	NA	NA
+PJ051827	TKKKRW 	C39H67N13O8	845.5236	NA	PeJP	NA	NA
+PJ051828	VLLLLEF 	C43H71N7O10	845.5263	NA	PeJP	NA	NA
+PJ051829	GVKKKMR 	C36H71N13O8S	845.527	NA	PeJP	NA	NA
+PJ051830	SVKKKKE 	C37H71N11O11	845.5335	NA	PeJP	NA	NA
+PJ051831	VLFRRR 	C38H67N15O7	845.5348	NA	PeJP	NA	NA
+PJ051832	PVVLKKY 	C42H71N9O9	845.5375	NA	PeJP	NA	NA
+PJ051833	KKKMRR 	C35H71N15O7S	845.5382	NA	PeJP	NA	NA
+PJ051834	TLLLKKM 	C39H75N9O9S	845.5409	NA	PeJP	NA	NA
+PJ051835	SSLKKKR 	C36H71N13O10	845.5447	NA	PeJP	NA	NA
+PJ051836	AVLLKFR 	C41H71N11O8	845.5487	NA	PeJP	NA	NA
+PJ051837	GLLLKFR 	C41H71N11O8	845.5488	NA	PeJP	NA	NA
+PJ051838	ALKKKKM 	C38H75N11O8S	845.5521	NA	PeJP	NA	NA
+PJ051839	VLLLLLY 	C44H75N7O9	845.5627	NA	PeJP	NA	NA
+PJ051840	TTLKKKK 	C38H75N11O10	845.5699	NA	PeJP	NA	NA
+PJ051841	VVLLKKF 	C43H75N9O8	845.5739	NA	PeJP	NA	NA
+HMDB09540	PE(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H84NO8P	845.593445	NA	HMDB2010	NA	NA
+HMDB09571	PE(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C49H84NO8P	845.593445	NA	HMDB2010	NA	NA
+HMDB09572	PE(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C49H84NO8P	845.593445	NA	HMDB2010	NA	NA
+HMDB09635	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	C49H84NO8P	845.593445	NA	HMDB2010	NA	NA
+HMDB09668	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	C49H84NO8P	845.593445	NA	HMDB2010	NA	NA
+HMDB09700	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	C49H84NO8P	845.593445	NA	HMDB2010	NA	NA
+EUR968	PC 36:2 [M-H+acetate]-	C44H84NO8P	845.614557	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR968	PC 36:2 [M-H+acetate]-	C44H84NO8P	845.614557	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR968	PC 36:2 [M-H+acetate]-	C44H84NO8P	845.614557	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR968	PC 36:2 [M-H+acetate]-	C44H84NO8P	845.614557	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB07992	PC(16:0/24:0)	C48H96NO8P	845.687378	NA	HMDB2010	NA	NA
+HMDB08051	PC(18:0/22:0)	C48H96NO8P	845.687378	NA	HMDB2010	NA	NA
+HMDB08274	PC(20:0/20:0)	C48H96NO8P	845.687378	NA	HMDB2010	NA	NA
+HMDB08530	PC(22:0/18:0)	C48H96NO8P	845.687378	NA	HMDB2010	NA	NA
+HMDB08758	PC(24:0/16:0)	C48H96NO8P	845.687378	NA	HMDB2010	NA	NA
+MJ096078	2-Amino-1,3,4-octadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside 	C48H95NO10	845.695598	NA	MeJP	NA	NA
+MJ096079	2-Amino-16-methyl-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside 	C48H95NO10	845.695598	NA	MeJP	NA	NA
+MJ096080	2-Amino-16-methyl-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-glucopyranoside 	C48H95NO10	845.695598	NA	MeJP	NA	NA
+MJ096081	2-Amino-16-methyl-1,3,4-heptadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside 	C48H95NO10	845.695598	NA	MeJP	NA	NA
+MJ096082	Aerothionin; 2'',3''-Dihydroxy 	C24H26Br4N4O10	845.838243	NA	MeJP	NA	NA
+PJ051842	GCCCCDDE 	C27H42N8O15S4	846.1653	NA	PeJP	NA	NA
+PJ051843	CCCCDDW 	C31H42N8O12S4	846.1805	NA	PeJP	NA	NA
+PJ051844	SSCCCDDD 	C27H42N8O17S3	846.183	NA	PeJP	NA	NA
+PJ051845	SPCCCCCE 	C28H46N8O12S5	846.1839	NA	PeJP	NA	NA
+PJ051846	GCCCCNNM 	C27H46N10O11S5	846.1951	NA	PeJP	NA	NA
+PJ051847	GGGCCCCNM 	C27H46N10O11S5	846.1952	NA	PeJP	NA	NA
+MJ096083	6-Glucosyl-4',4''',5,5'',7,7''-hexahydroxy-6''-xylosyl-8,8''-biflavone; 5''-Me ether 	C42H38O19	846.200729	NA	MeJP	NA	NA
+PJ051848	GSCCCDEM 	C28H46N8O14S4	846.2017	NA	PeJP	NA	NA
+PJ051849	GPCCCCMM 	C29H50N8O9S6	846.2025	NA	PeJP	NA	NA
+PJ051850	SSCCCCNQ 	C27H46N10O13S4	846.2129	NA	PeJP	NA	NA
+PJ051851	CCNDDDY 	C31H42N8O16S2	846.2161	NA	PeJP	NA	NA
+PJ051852	SCCCDMW 	C32H46N8O11S4	846.2169	NA	PeJP	NA	NA
+PJ051853	SSSCCDDM 	C28H46N8O16S3	846.2194	NA	PeJP	NA	NA
+PJ051854	CCNDMMM 	C29H50N8O11S5	846.2203	NA	PeJP	NA	NA
+FL5FADGS0029	Isorhamnetin 3-(6''-(E)-sinapoylsophoroside);Quercetin 3'-methyl ether 3-(6''-(E)-sinapoylsophoroside)	C39H42O21	846.22185	-	knapsack	NA	NA
+MJ096084	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H42O21	846.221858	NA	MeJP	NA	NA
+HMDB03327	Mesohydroxy uroporphyrin III	C40H38N4O17	846.223206	NA	HMDB2010	NA	NA
+HMDB03329	Hydroxyacetic acid uroporphyrin III	C40H38N4O17	846.223206	NA	HMDB2010	NA	NA
+HMDB03330	Peroxyacetic acid uroporphyrin III	C40H38N4O17	846.223206	NA	HMDB2010	NA	NA
+HMDB03327	Mesohydroxy uroporphyrin III	C40H38N4O17	846.22321	http://www.hmdb.ca/metabolites/HMDB03327	HMDB	NA	NA
+HMDB03329	Hydroxyacetic acid uroporphyrin III	C40H38N4O17	846.22321	http://www.hmdb.ca/metabolites/HMDB03329	HMDB	NA	NA
+HMDB03330	Peroxyacetic acid uroporphyrin III	C40H38N4O17	846.22321	http://www.hmdb.ca/metabolites/HMDB03330	HMDB	NA	NA
+HMDB03327	Mesohydroxy uroporphyrin III	C40H38N4O17	846.22321	HMDB03327	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03329	Hydroxyacetic acid uroporphyrin III	C40H38N4O17	846.22321	HMDB03329	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03330	Peroxyacetic acid uroporphyrin III	C40H38N4O17	846.22321	HMDB03330	PFEM_hmdb_metabocards_official	NA	NA
+PJ051855	GSSSSCCCN 	C27H46N10O15S3	846.2307	NA	PeJP	NA	NA
+PJ051856	CCCCEMR 	C28H50N10O10S5	846.2315	NA	PeJP	NA	NA
+PJ051857	GSPCCCDY 	C32H46N8O13S3	846.2347	NA	PeJP	NA	NA
+PJ051858	VCCCCMW 	C33H50N8O8S5	846.2355	NA	PeJP	NA	NA
+PJ051859	ACCCMMW 	C33H50N8O8S5	846.2356	NA	PeJP	NA	NA
+PJ051860	GSSCCEMM 	C29H50N8O13S4	846.2381	NA	PeJP	NA	NA
+PJ051861	CCCNMHH 	C30H46N12O9S4	846.2394	NA	PeJP	NA	NA
+MJ096085	Phytosulfokine ? 	C33H46N6O16S2	846.24117	NA	MeJP	NA	NA
+PJ051862	CNDDDEH 	C30H42N10O17S	846.2451	NA	PeJP	NA	NA
+PJ051863	CCCNNQY 	C31H46N10O12S3	846.2459	NA	PeJP	NA	NA
+PJ051864	SSCCCCNK 	C28H50N10O12S4	846.2493	NA	PeJP	NA	NA
+PJ051865	GCCCEFW 	C36H46N8O10S3	846.2499	NA	PeJP	NA	NA
+PJ051866	SCNDDMY 	C32H46N8O15S2	846.2524	NA	PeJP	NA	NA
+PJ051867	SSCCMMW 	C33H50N8O10S4	846.2533	NA	PeJP	NA	NA
+PJ051868	SSSSCDMM 	C29H50N8O15S3	846.2558	NA	PeJP	NA	NA
+PJ051869	SCNMMMM 	C30H54N8O10S5	846.2567	NA	PeJP	NA	NA
+PJ051870	GSTCCCHH 	C30H46N12O11S3	846.2572	NA	PeJP	NA	NA
+MJ096086	Premnoside B; 3'''-Methoxy 	C40H46O20	846.258243	NA	MeJP	NA	NA
+PJ051871	GCDDDHW 	C34H42N10O14S	846.2603	NA	PeJP	NA	NA
+PJ051872	GSSDDDDH 	C30H42N10O19	846.2628	NA	PeJP	NA	NA
+PJ051873	GSSCCNNY 	C31H46N10O14S2	846.2637	NA	PeJP	NA	NA
+PJ051874	PCCCCRY 	C32H50N10O9S4	846.2645	NA	PeJP	NA	NA
+PJ051875	GPPCCCMH 	C32H50N10O9S4	846.2646	NA	PeJP	NA	NA
+PJ051876	CCCFWW 	C40H46N8O7S3	846.2652	NA	PeJP	NA	NA
+PJ051877	GSCCEYW 	C36H46N8O12S2	846.2677	NA	PeJP	NA	NA
+PJ051878	TCCCMMR 	C29H54N10O9S5	846.2679	NA	PeJP	NA	NA
+PJ051879	GSSSCDEY 	C32H46N8O17S	846.2702	NA	PeJP	NA	NA
+PJ051880	GCNEMMY 	C33H50N8O12S3	846.2711	NA	PeJP	NA	NA
+PJ051881	GSSTCMMM 	C30H54N8O12S4	846.2744	NA	PeJP	NA	NA
+PJ051882	SSSSCCHH 	C30H46N12O13S2	846.2749	NA	PeJP	NA	NA
+PJ051883	SPCCDHW 	C35H46N10O11S2	846.2789	NA	PeJP	NA	NA
+PJ051884	SNDDEMH 	C31H46N10O16S	846.2814	NA	PeJP	NA	NA
+PJ051885	GCCDMRY 	C32H50N10O11S3	846.2823	NA	PeJP	NA	NA
+PJ051886	SCCYWW 	C40H46N8O9S2	846.2829	NA	PeJP	NA	NA
+PJ051887	SSSCDYW 	C36H46N8O14S	846.2854	NA	PeJP	NA	NA
+PJ051888	PPCDDDW 	C36H46N8O14S	846.2855	NA	PeJP	NA	NA
+PJ051889	CNMMYW 	C37H50N8O9S3	846.2863	NA	PeJP	NA	NA
+PJ051890	SSSSSDDY 	C32H46N8O19	846.2879	NA	PeJP	NA	NA
+PJ051891	PNDDEEE 	C32H46N8O19	846.288	NA	PeJP	NA	NA
+PJ051892	SSNDMMY 	C33H50N8O14S2	846.2888	NA	PeJP	NA	NA
+PJ051893	PCCCKMY 	C34H54N8O9S4	846.2897	NA	PeJP	NA	NA
+PJ051894	GCCNQHW 	C34H46N12O10S2	846.2902	NA	PeJP	NA	NA
+PJ051895	DEEEYY 	C37H46N6O17	846.292	NA	PeJP	NA	NA
+PJ051896	SSSSSMMM 	C30H54N8O14S3	846.2922	NA	PeJP	NA	NA
+PJ051897	SCDDDHR 	C30H46N12O15S	846.2927	NA	PeJP	NA	NA
+PJ051898	TCCKMMM 	C31H58N8O9S5	846.2931	NA	PeJP	NA	NA
+PJ051899	PCCCEHR 	C31H50N12O10S3	846.2935	NA	PeJP	NA	NA
+PJ051900	GSDDMHW 	C35H46N10O13S	846.2967	NA	PeJP	NA	NA
+PJ051901	APCCMHW 	C36H50N10O8S3	846.2976	NA	PeJP	NA	NA
+PJ051902	PDDDDDR 	C31H46N10O18	846.2992	NA	PeJP	NA	NA
+PJ051903	SSCCERY 	C32H50N10O13S2	846.3001	NA	PeJP	NA	NA
+PJ051904	CNDFYW 	C40H46N8O11S	846.3007	NA	PeJP	NA	NA
+PJ051905	GCCMMFR 	C33H54N10O8S4	846.3009	NA	PeJP	NA	NA
+PJ051906	PCCNHHH 	C33H46N14O9S2	846.3014	NA	PeJP	NA	NA
+PJ051907	GPDDEEW 	C36H46N8O16	846.3032	NA	PeJP	NA	NA
+PJ051908	GSTCMYW 	C37H50N8O11S2	846.3041	NA	PeJP	NA	NA
+PJ051909	GSSSSEMY 	C33H50N8O16S	846.3066	NA	PeJP	NA	NA
+PJ051910	GSQMMMY 	C34H54N8O11S3	846.3074	NA	PeJP	NA	NA
+PJ051911	GGGTMMMY 	C34H54N8O11S3	846.3075	NA	PeJP	NA	NA
+PJ051912	SSCNNHW 	C34H46N12O12S	846.3079	NA	PeJP	NA	NA
+PJ051913	SSSSNNDH 	C30H46N12O17	846.3104	NA	PeJP	NA	NA
+PJ051914	GGGGGGGGNEE 	C30H46N12O17	846.3105	NA	PeJP	NA	NA
+PJ051915	EEEMFY 	C38H50N6O14S	846.3106	NA	PeJP	NA	NA
+PJ051916	GCDEMHR 	C31H50N12O12S2	846.3113	NA	PeJP	NA	NA
+PJ051917	SCEHWW 	C39H46N10O10S	846.3119	NA	PeJP	NA	NA
+PJ051918	SSSDEHW 	C35H46N10O15	846.3144	NA	PeJP	NA	NA
+PJ051919	GGSPNDDW 	C35H46N10O15	846.3145	NA	PeJP	NA	NA
+PJ051920	NEMMHW 	C36H50N10O10S2	846.3153	NA	PeJP	NA	NA
+PJ051921	SSQEEMH 	C32H50N10O15S	846.3178	NA	PeJP	NA	NA
+PJ051922	PDDEWW 	C40H46N8O13	846.3185	NA	PeJP	NA	NA
+PJ051923	GSCMMRY 	C33H54N10O10S3	846.3187	NA	PeJP	NA	NA
+PJ051924	GNDMHHH 	C33H46N14O11S	846.3192	NA	PeJP	NA	NA
+MJ096087	Pusilatin A 	C56H46O8	846.319268	NA	MeJP	NA	NA
+MJ096088	Pusilatin B 	C56H46O8	846.319268	NA	MeJP	NA	NA
+MJ096089	Pusilatin C 	C56H46O8	846.319268	NA	MeJP	NA	NA
+MJ096090	Pusilatin D 	C56H46O8	846.319268	NA	MeJP	NA	NA
+PJ051925	CNMFFW 	C41H50N8O8S2	846.3193	NA	PeJP	NA	NA
+PJ051926	GSNNNNNN 	C29H46N14O16	846.3216	NA	PeJP	NA	NA
+PJ051927	GGGSNNNNN 	C29H46N14O16	846.3217	NA	PeJP	NA	NA
+PJ051928	SSSSMYW 	C37H50N8O13S	846.3218	NA	PeJP	NA	NA
+MJ096091	Phallacidin 	C37H50N8O13S	846.321804	NA	MeJP	NA	NA
+PJ051929	GPPPCDDF 	C37H50N8O13S	846.3219	NA	PeJP	NA	NA
+PJ051930	SCCNQHR 	C30H50N14O11S2	846.3225	NA	PeJP	NA	NA
+PJ051931	PCCCKFF 	C38H54N8O8S3	846.3227	NA	PeJP	NA	NA
+PJ051932	SSSSSTEY 	C33H50N8O18	846.3243	NA	PeJP	NA	NA
+PJ051933	GGPTEEEE 	C33H50N8O18	846.3244	NA	PeJP	NA	NA
+PJ051934	SSTQMMY 	C34H54N8O13S2	846.3252	NA	PeJP	NA	NA
+PJ051935	GNNNNEW 	C34H46N12O14	846.3257	NA	PeJP	NA	NA
+PJ051936	GCKMMMF 	C35H58N8O8S4	846.3261	NA	PeJP	NA	NA
+PJ051937	GCCNKHW 	C35H50N12O9S2	846.3265	NA	PeJP	NA	NA
+PJ051938	CDMHRW 	C35H50N12O9S2	846.3266	NA	PeJP	NA	NA
+PJ051939	GSSSNQMH 	C31H50N12O14S	846.329	NA	PeJP	NA	NA
+PJ051940	SSDDMHR 	C31H50N12O14S	846.3291	NA	PeJP	NA	NA
+PJ051941	NDEHFW 	C39H46N10O12	846.3297	NA	PeJP	NA	NA
+PJ051942	PTCCMHR 	C32H54N12O9S3	846.3299	NA	PeJP	NA	NA
+PJ051943	GMMHWW 	C40H50N10O7S2	846.3306	NA	PeJP	NA	NA
+PJ051944	GSTEMHW 	C36H50N10O12S	846.3331	NA	PeJP	NA	NA
+PJ051945	CQHHHW 	C37H46N14O8S	846.3344	NA	PeJP	NA	NA
+PJ051946	SPDDEER 	C32H50N10O17	846.3356	NA	PeJP	NA	NA
+PJ051947	SSTCMRY 	C33H54N10O12S2	846.3364	NA	PeJP	NA	NA
+PJ051948	GAATEMMH 	C33H54N10O12S2	846.3365	NA	PeJP	NA	NA
+PJ051949	SSNEHHH 	C33H46N14O13	846.3369	NA	PeJP	NA	NA
+PJ051950	GQMYYW 	C41H50N8O10S	846.3371	NA	PeJP	NA	NA
+PJ051951	GPTEEEW 	C37H50N8O15	846.3396	NA	PeJP	NA	NA
+MJ096092	Naphthomycin I 	C45H54N2O12S	846.339745	NA	MeJP	NA	NA
+MJ096093	Naphthomycin J; Me ester 	C45H54N2O12S	846.339745	NA	MeJP	NA	NA
+PJ051952	GSSSCNHR 	C30H50N14O13S	846.3403	NA	PeJP	NA	NA
+PJ051953	GPPEMMW 	C38H54N8O10S2	846.3405	NA	PeJP	NA	NA
+PJ051954	NNNNWW 	C38H46N12O11	846.3409	NA	PeJP	NA	NA
+PJ051955	GGGGGGNWW 	C38H46N12O11	846.341	NA	PeJP	NA	NA
+PJ051956	GSSTTTMY 	C34H54N8O15S	846.343	NA	PeJP	NA	NA
+PJ051957	PEEFYY 	C42H50N6O13	846.3436	NA	PeJP	NA	NA
+PJ051958	GSKMMMY 	C35H58N8O10S3	846.3438	NA	PeJP	NA	NA
+PJ051959	GPCNDRW 	C35H50N12O11S	846.3443	NA	PeJP	NA	NA
+PJ051960	GDHFWW 	C43H46N10O9	846.345	NA	PeJP	NA	NA
+PJ051961	GNNEEER 	C31H50N12O16	846.3468	NA	PeJP	NA	NA
+PJ051962	LEEMYY 	C39H54N6O13S	846.347	NA	PeJP	NA	NA
+PJ051963	GSEMMHR 	C32H54N12O11S2	846.3477	NA	PeJP	NA	NA
+PJ051964	STMHWW 	C40H50N10O9S	846.3483	NA	PeJP	NA	NA
+PJ051965	SSTTEHW 	C36H50N10O14	846.3508	NA	PeJP	NA	NA
+PJ051966	GGGGGVEEW 	C36H50N10O14	846.3509	NA	PeJP	NA	NA
+PJ051967	DKMMHW 	C37H54N10O9S2	846.3517	NA	PeJP	NA	NA
+PJ051968	GSSHHHW 	C37H46N14O10	846.3522	NA	PeJP	NA	NA
+PJ051969	CHFFFF 	C45H50N8O7S	846.3524	NA	PeJP	NA	NA
+PJ051970	GPEEEMR 	C33H54N10O14S	846.3542	NA	PeJP	NA	NA
+PJ051971	STQYYW 	C41H50N8O12	846.3548	NA	PeJP	NA	NA
+PJ051972	PTEEWW 	C41H50N8O12	846.3549	NA	PeJP	NA	NA
+PJ051973	GLQMMMH 	C34H58N10O9S3	846.3551	NA	PeJP	NA	NA
+PJ051974	GCNNHFR 	C34H50N14O10S	846.3555	NA	PeJP	NA	NA
+PJ051975	GGGCNHFR 	C34H50N14O10S	846.3556	NA	PeJP	NA	NA
+PJ051976	PPMMWW 	C42H54N8O7S2	846.3557	NA	PeJP	NA	NA
+PJ051977	SNNNNER 	C30H50N14O15	846.358	NA	PeJP	NA	NA
+PJ051978	GNDDDRR 	C30H50N14O15	846.3581	NA	PeJP	NA	NA
+PJ051979	GPVEEMW 	C38H54N8O12S	846.3582	NA	PeJP	NA	NA
+PJ051980	SCCNKHR 	C31H54N14O10S2	846.3589	NA	PeJP	NA	NA
+PJ051981	APPCHHW 	C39H50N12O8S	846.3596	NA	PeJP	NA	NA
+PJ051982	SSSTTTTY 	C34H54N8O17	846.3607	NA	PeJP	NA	NA
+PJ051983	SSTKMMY 	C35H58N8O12S2	846.3616	NA	PeJP	NA	NA
+PJ051984	ATNNNQW 	C35H50N12O13	846.362	NA	PeJP	NA	NA
+PJ051985	NNEERW 	C35H50N12O13	846.3621	NA	PeJP	NA	NA
+PJ051986	SMMHRW 	C36H54N12O8S2	846.3629	NA	PeJP	NA	NA
+PJ051987	SSTEMHR 	C32H54N12O13S	846.3654	NA	PeJP	NA	NA
+PJ051988	GGGGSPEMR 	C32H54N12O13S	846.3655	NA	PeJP	NA	NA
+PJ051989	AQQEWW 	C40H50N10O11	846.3661	NA	PeJP	NA	NA
+PJ051990	AAMMMHR 	C33H58N12O8S3	846.3663	NA	PeJP	NA	NA
+PJ051991	GTCHHHR 	C33H50N16O9S	846.3668	NA	PeJP	NA	NA
+MJ096094	Entandrophragmin; Deepoxy, hydroxy 	C43H58O17	846.3674	NA	MeJP	NA	NA
+PJ051992	SQMRYY 	C37H54N10O11S	846.3694	NA	PeJP	NA	NA
+PJ051993	PEEMRW 	C37H54N10O11S	846.3695	NA	PeJP	NA	NA
+PJ051994	PPDFWW 	C45H50N8O9	846.3701	NA	PeJP	NA	NA
+PJ051995	CKHHHW 	C38H50N14O7S	846.3708	NA	PeJP	NA	NA
+PJ051996	SSSSTLEH 	C33H54N10O16	846.3719	NA	PeJP	NA	NA
+PJ051997	GVEEEER 	C33H54N10O16	846.372	NA	PeJP	NA	NA
+PJ051998	SPPEMMR 	C34H58N10O11S2	846.3728	NA	PeJP	NA	NA
+PJ051999	GGGGGAPLMM 	C34H58N10O11S2	846.3729	NA	PeJP	NA	NA
+PJ052000	GSNNNRW 	C34H50N14O12	846.3733	NA	PeJP	NA	NA
+PJ052001	PVEMWW 	C42H54N8O9S	846.3735	NA	PeJP	NA	NA
+PJ052002	AALEEEW 	C38H54N8O14	846.376	NA	PeJP	NA	NA
+PJ052003	SPCNDRR 	C31H54N14O12S	846.3767	NA	PeJP	NA	NA
+PJ052004	SPPVMMW 	C39H58N8O9S2	846.3768	NA	PeJP	NA	NA
+PJ052005	PPTCLMW 	C39H58N8O9S2	846.3769	NA	PeJP	NA	NA
+PJ052006	GNERWW 	C39H50N12O10	846.3773	NA	PeJP	NA	NA
+PJ052007	PVDKEEM 	C35H58N8O14S	846.3794	NA	PeJP	NA	NA
+PJ052008	PLEYYY 	C43H54N6O12	846.38	NA	PeJP	NA	NA
+PJ052009	PPLQMMM 	C36H62N8O9S3	846.3802	NA	PeJP	NA	NA
+PJ052010	GSPNMRW 	C36H54N12O10S	846.3807	NA	PeJP	NA	NA
+PJ052011	AAQWWW 	C44H50N10O8	846.3813	NA	PeJP	NA	NA
+PJ052012	GGGVWWW 	C44H50N10O8	846.3814	NA	PeJP	NA	NA
+PJ052013	EEEERR 	C32H54N12O15	846.3832	NA	PeJP	NA	NA
+PJ052014	ATTMMHR 	C33H58N12O10S2	846.3841	NA	PeJP	NA	NA
+PJ052015	SSSHHHR 	C33H50N16O11	846.3845	NA	PeJP	NA	NA
+PJ052016	PCQKWW 	C41H54N10O8S	846.3847	NA	PeJP	NA	NA
+PJ052017	VEEERW 	C37H54N10O13	846.3872	NA	PeJP	NA	NA
+PJ052018	GCNNQRR 	C30H54N16O11S	846.3879	NA	PeJP	NA	NA
+PJ052019	CKMFRY 	C38H58N10O8S2	846.3881	NA	PeJP	NA	NA
+MJ096095	2,3-Dihydroxy-23,24,25,26,27-pentanorcholest-20-en-22,16-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C40H62O19	846.388529	NA	MeJP	NA	NA
+PJ052020	PDHHRW 	C38H50N14O9	846.3886	NA	PeJP	NA	NA
+PJ052021	SPVEEMR 	C34H58N10O13S	846.3906	NA	PeJP	NA	NA
+PJ052022	VVEEWW 	C42H54N8O11	846.3912	NA	PeJP	NA	NA
+PJ052023	GGPPPEFF 	C42H54N8O11	846.3913	NA	PeJP	NA	NA
+PJ052024	PPCLMMR 	C35H62N10O8S3	846.3915	NA	PeJP	NA	NA
+PJ052025	CEHFRR 	C35H54N14O9S	846.3919	NA	PeJP	NA	NA
+PJ052026	NRWWW 	C43H50N12O7	846.3926	NA	PeJP	NA	NA
+PJ052027	GSNEERR 	C31H54N14O14	846.3944	NA	PeJP	NA	NA
+PJ052028	GGGGGGSDKR 	C31H54N14O14	846.3945	NA	PeJP	NA	NA
+PJ052029	APTLEMW 	C39H58N8O11S	846.3946	NA	PeJP	NA	NA
+PJ052030	GPCQMRR 	C32H58N14O9S2	846.3953	NA	PeJP	NA	NA
+PJ052031	AMHFRW 	C40H54N12O7S	846.396	NA	PeJP	NA	NA
+PJ052032	ALKEEEE 	C35H58N8O16	846.3971	NA	PeJP	NA	NA
+PJ052033	PVLQEMM 	C36H62N8O11S2	846.398	NA	PeJP	NA	NA
+PJ052034	TQQERW 	C36H54N12O12	846.3984	NA	PeJP	NA	NA
+PJ052035	NDKERW 	C36H54N12O12	846.3985	NA	PeJP	NA	NA
+PJ052036	NHHHFR 	C37H50N16O8	846.3998	NA	PeJP	NA	NA
+PJ052037	TTTTMHR 	C33H58N12O12S	846.4018	NA	PeJP	NA	NA
+PJ052038	GGGGGGGGLKM 	C33H58N12O12S	846.4019	NA	PeJP	NA	NA
+PJ052039	AQKEWW 	C41H54N10O10	846.4025	NA	PeJP	NA	NA
+PJ052040	SSNNNRR 	C30H54N16O13	846.4057	NA	PeJP	NA	NA
+PJ052041	GPTQKMW 	C38H58N10O10S	846.4058	NA	PeJP	NA	NA
+PJ052042	GGAPTKMW 	C38H58N10O10S	846.4059	NA	PeJP	NA	NA
+PJ052043	PPVYWW 	C46H54N8O8	846.4065	NA	PeJP	NA	NA
+MJ096096	Holost-9(11)-ene-3,12,17-triol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-4-O-sulfo-?-D-xylopyranoside] 	C41H66O16S	846.407156	NA	MeJP	NA	NA
+7425	coeliac toxic peptide	PQQPQQSFPQQPQR	846.4075	MH2+	Inhouse_peptide	NA	peptide
+PJ052044	ATLEEER 	C34H58N10O15	846.4083	NA	PeJP	NA	NA
+PJ052045	SVVEEER 	C34H58N10O15	846.4084	NA	PeJP	NA	NA
+PJ052046	APLEMMR 	C35H62N10O10S2	846.4092	NA	PeJP	NA	NA
+PJ052047	SNERRW 	C35H54N14O11	846.4097	NA	PeJP	NA	NA
+PJ052048	GPPLMFW 	C43H58N8O8S	846.4099	NA	PeJP	NA	NA
+PJ052049	SSSLKYY 	C39H58N8O13	846.4123	NA	PeJP	NA	NA
+PJ052050	GTLLEEW 	C39H58N8O13	846.4124	NA	PeJP	NA	NA
+PJ052051	SSPNMRR 	C32H58N14O11S	846.413	NA	PeJP	NA	NA
+PJ052052	QQEMRR 	C32H58N14O11S	846.4131	NA	PeJP	NA	NA
+PJ052053	GPLLMMW 	C40H62N8O8S2	846.4132	NA	PeJP	NA	NA
+PJ052054	GDKRWW 	C40H54N12O9	846.4137	NA	PeJP	NA	NA
+PJ052055	PTLKEEM 	C36H62N8O13S	846.4157	NA	PeJP	NA	NA
+PJ052056	GGVLLEEM 	C36H62N8O13S	846.4158	NA	PeJP	NA	NA
+PJ052057	LLEFYY 	C44H58N6O11	846.4164	NA	PeJP	NA	NA
+PJ052058	PPLKMMM 	C37H66N8O8S3	846.4166	NA	PeJP	NA	NA
+PJ052059	VQQMRW 	C37H58N12O9S	846.4171	NA	PeJP	NA	NA
+PJ052060	AAKWWW 	C45H54N10O7	846.4177	NA	PeJP	NA	NA
+PJ052061	GTQKEER 	C33H58N12O14	846.4196	NA	PeJP	NA	NA
+PJ052062	GPQKMMR 	C34H62N12O9S2	846.4205	NA	PeJP	NA	NA
+PJ052063	AAQQHHR 	C34H54N16O10	846.4209	NA	PeJP	NA	NA
+PJ052064	PCKKWW 	C42H58N10O7S	846.4211	NA	PeJP	NA	NA
+PJ052065	QKKEEW 	C38H58N10O12	846.4236	NA	PeJP	NA	NA
+PJ052066	NDMRRR 	C31H58N16O10S	846.4243	NA	PeJP	NA	NA
+PJ052067	GSRRWW 	C39H54N14O8	846.4249	NA	PeJP	NA	NA
+PJ052068	GPPHHFR 	C39H54N14O8	846.425	NA	PeJP	NA	NA
+PJ052069	GLLEEMR 	C35H62N10O12S	846.427	NA	PeJP	NA	NA
+PJ052070	TLLEWW 	C43H58N8O10	846.4276	NA	PeJP	NA	NA
+PJ052071	AQMRRW 	C36H58N14O8S	846.4283	NA	PeJP	NA	NA
+PJ052072	GSDKERR 	C32H58N14O13	846.4308	NA	PeJP	NA	NA
+PJ052073	GVLLEMW 	C40H62N8O10S	846.431	NA	PeJP	NA	NA
+PJ052074	GPCKMRR 	C33H62N14O8S2	846.4317	NA	PeJP	NA	NA
+PJ052075	NQHHRR 	C33H54N18O9	846.4322	NA	PeJP	NA	NA
+PJ052076	SLLKEEE 	C36H62N8O15	846.4335	NA	PeJP	NA	NA
+PJ052077	PVLKEMM 	C37H66N8O10S2	846.4344	NA	PeJP	NA	NA
+PJ052078	TQKERW 	C37H58N12O11	846.4348	NA	PeJP	NA	NA
+PJ052079	GGGGGTKKW 	C37H58N12O11	846.4349	NA	PeJP	NA	NA
+PJ052080	GVQKEMR 	C34H62N12O11S	846.4382	NA	PeJP	NA	NA
+PJ052081	SLQKWW 	C42H58N10O9	846.4388	NA	PeJP	NA	NA
+PJ052082	AKKEWW 	C42H58N10O9	846.4389	NA	PeJP	NA	NA
+PJ052083	ACRRRW 	C35H58N16O7S	846.4396	NA	PeJP	NA	NA
+C07235	Rifabutin	C46H62N4O11	846.4415	NA	KEGG	NA	NA
+MJ096097	Rifabutin 	C46H62N4O11	846.441508	NA	MeJP	NA	NA
+PJ052084	GSSERRR 	C31H58N16O12	846.4421	NA	PeJP	NA	NA
+PJ052085	LLEMRW 	C39H62N10O9S	846.4422	NA	PeJP	NA	NA
+PJ052086	PVLFWW 	C47H58N8O7	846.4429	NA	PeJP	NA	NA
+MJ096098	Rotihibin B 	C35H62N10O14	846.444696	NA	MeJP	NA	NA
+PJ052087	STLLEER 	C35H62N10O14	846.4447	NA	PeJP	NA	NA
+PJ052088	SPLLMMR 	C36H66N10O9S2	846.4456	NA	PeJP	NA	NA
+PJ052089	SDKRRW 	C36H58N14O10	846.4461	NA	PeJP	NA	NA
+PJ052090	VLLMWW 	C44H62N8O7S	846.4463	NA	PeJP	NA	NA
+MJ096099	N-Deacyltunicamycin; N4''-(14-Methylpentadecanoyl) 	C39H66N4O16	846.447382	NA	MeJP	NA	NA
+PJ052091	SSLLLEW 	C40H62N8O12	846.4487	NA	PeJP	NA	NA
+PJ052092	VVTTLEW 	C40H62N8O12	846.4488	NA	PeJP	NA	NA
+PJ052093	QKEMRR 	C33H62N14O10S	846.4494	NA	PeJP	NA	NA
+PJ052094	GAKEMRR 	C33H62N14O10S	846.4495	NA	PeJP	NA	NA
+MJ096100	Helicokinin II 	C41H58N12O8	846.450056	NA	MeJP	NA	NA
+PJ052095	ATKRWW 	C41H58N12O8	846.4501	NA	PeJP	NA	NA
+PJ052096	VVLKEEM 	C37H66N8O12S	846.4521	NA	PeJP	NA	NA
+PJ052097	LLLYYY 	C45H62N6O10	846.4528	NA	PeJP	NA	NA
+PJ052098	VQKMRW 	C38H62N12O8S	846.4535	NA	PeJP	NA	NA
+PJ052099	GTKKEER 	C34H62N12O13	846.456	NA	PeJP	NA	NA
+PJ052100	GPKKMMR 	C35H66N12O8S2	846.4568	NA	PeJP	NA	NA
+PJ052101	SSRRRW 	C35H58N16O9	846.4573	NA	PeJP	NA	NA
+PJ052102	KKKEEW 	C39H62N10O11	846.46	NA	PeJP	NA	NA
+PJ052103	TQMRRR 	C32H62N16O9S	846.4607	NA	PeJP	NA	NA
+PJ052104	VLHHRW 	C40H58N14O7	846.4613	NA	PeJP	NA	NA
+PJ052105	SVLLEMR 	C36H66N10O11S	846.4634	NA	PeJP	NA	NA
+PJ052106	GPVLLYW 	C44H62N8O9	846.464	NA	PeJP	NA	NA
+PJ052107	AKMRRW 	C37H62N14O7S	846.4647	NA	PeJP	NA	NA
+PJ052108	GTTKERR 	C33H62N14O12	846.4672	NA	PeJP	NA	NA
+PJ052109	ATLLLMW 	C41H66N8O9S	846.4674	NA	PeJP	NA	NA
+PJ052110	NKHHRR 	C34H58N18O8	846.4685	NA	PeJP	NA	NA
+PJ052111	GGKHHRR 	C34H58N18O8	846.4686	NA	PeJP	NA	NA
+PJ052112	GTTTLLLE 	C37H66N8O14	846.4699	NA	PeJP	NA	NA
+PJ052113	VLLLQMM 	C38H70N8O9S2	846.4708	NA	PeJP	NA	NA
+PJ052114	TKKERW 	C38H62N12O10	846.4712	NA	PeJP	NA	NA
+PJ052115	TCRRRR 	C31H62N18O8S	846.4719	NA	PeJP	NA	NA
+PJ052116	GVKKEMR 	C35H66N12O10S	846.4746	NA	PeJP	NA	NA
+PJ052117	SLKKWW 	C43H62N10O8	846.4752	NA	PeJP	NA	NA
+PJ052118	PPVVLHW 	C43H62N10O8	846.4753	NA	PeJP	NA	NA
+MJ096101	12-Oleanene-3,16,21,22,23,28-hexol, 16,22-Ditigloyl, 3-O-?-D-glucuronopyranoside 	C46H70O14	846.476556	NA	MeJP	NA	NA
+MJ096102	12-Oleanene-3,16,21,22,23,28-hexol, 20,21-Ditigloyl, 3-O-glucuronopyranoside 	C46H70O14	846.476556	NA	MeJP	NA	NA
+MJ096103	12-Oleanene-3,16,21,22,23,28-hexol, 21,28-Ditigloyl, 3-O-?-D-glucuronopyranoside 	C46H70O14	846.476556	NA	MeJP	NA	NA
+PJ052119	GTTTRRR 	C32H62N16O11	846.4784	NA	PeJP	NA	NA
+PJ052120	AALKKMW 	C40H66N10O8S	846.4786	NA	PeJP	NA	NA
+PJ052121	SVKKKEE 	C36H66N10O13	846.4811	NA	PeJP	NA	NA
+PJ052122	ALLLMMR 	C37H70N10O8S2	846.482	NA	PeJP	NA	NA
+PJ052123	TTKRRW 	C37H62N14O9	846.4825	NA	PeJP	NA	NA
+PJ052124	TTTLLLW 	C41H66N8O11	846.4851	NA	PeJP	NA	NA
+PJ052125	GGVLLLEF 	C41H66N8O11	846.4852	NA	PeJP	NA	NA
+PJ052126	KKEMRR 	C34H66N14O9S	846.4858	NA	PeJP	NA	NA
+PJ052127	LKHFFR 	C42H62N12O7	846.4865	NA	PeJP	NA	NA
+PJ052128	TLLLKEM 	C38H70N8O11S	846.4885	NA	PeJP	NA	NA
+PJ052129	VKKMRW 	C39H66N12O7S	846.4899	NA	PeJP	NA	NA
+PJ052130	SSLKKER 	C35H66N12O12	846.4923	NA	PeJP	NA	NA
+PJ052131	VTTDKKR 	C35H66N12O12	846.4924	NA	PeJP	NA	NA
+PJ052132	VNFRRR 	C36H62N16O8	846.4937	NA	PeJP	NA	NA
+PJ052133	ATTLKKW 	C40H66N10O10	846.4964	NA	PeJP	NA	NA
+PJ052134	TKMRRR 	C33H66N16O8S	846.4971	NA	PeJP	NA	NA
+PJ052135	TTLLLMR 	C37H70N10O10S	846.4997	NA	PeJP	NA	NA
+PJ052136	VVDKKKM 	C37H70N10O10S	846.4998	NA	PeJP	NA	NA
+PJ052137	GVLLLFW 	C45H66N8O8	846.5004	NA	PeJP	NA	NA
+PJ052138	SSTLKRR 	C34H66N14O11	846.5036	NA	PeJP	NA	NA
+PJ052139	PVLLKMF 	C42H70N8O8S	846.5038	NA	PeJP	NA	NA
+PJ052140	GFRRRR 	C35H62N18O7	846.5049	NA	PeJP	NA	NA
+PJ052141	SSTTLLLL 	C38H70N8O13	846.5063	NA	PeJP	NA	NA
+PJ052142	VLLLKMM 	C39H74N8O8S2	846.5071	NA	PeJP	NA	NA
+PJ052143	GPVKKRY 	C39H66N12O9	846.5076	NA	PeJP	NA	NA
+PJ052144	ATLKKMR 	C36H70N12O9S	846.511	NA	PeJP	NA	NA
+PJ052145	LLLFRW 	C44H66N10O7	846.5116	NA	PeJP	NA	NA
+PJ052146	TTLKKKE 	C37H70N10O12	846.5175	NA	PeJP	NA	NA
+PJ052147	PKKRRY 	C38H66N14O8	846.5188	NA	PeJP	NA	NA
+PJ052148	GALKFRR 	C38H66N14O8	846.5189	NA	PeJP	NA	NA
+MJ096104	Enterococcus faecalis Sex pheromone inhibitor iAD1 	C42H70N8O10	846.52149	NA	MeJP	NA	NA
+PJ052149	PTLLLKY 	C42H70N8O10	846.5215	NA	PeJP	NA	NA
+PJ052150	GCKKKKR 	C35H70N14O8S	846.5222	NA	PeJP	NA	NA
+PJ052151	TTTLKKR 	C36H70N12O11	846.5287	NA	PeJP	NA	NA
+PJ052152	GLLLLRY 	C41H70N10O9	846.5328	NA	PeJP	NA	NA
+PJ052153	SLLKKKM 	C38H74N10O9S	846.5361	NA	PeJP	NA	NA
+PJ052154	GVLKKFR 	C40H70N12O8	846.544	NA	PeJP	NA	NA
+PJ052155	GKKKKKM 	C37H74N12O8S	846.5474	NA	PeJP	NA	NA
+PJ052156	LKKFRR 	C39H70N14O7	846.5552	NA	PeJP	NA	NA
+PJ052157	VVLLLKY 	C43H74N8O9	846.5579	NA	PeJP	NA	NA
+PJ052158	STKKKKK 	C37H74N12O10	846.5651	NA	PeJP	NA	NA
+PJ052159	VVVKKKF 	C42H74N10O8	846.5691	NA	PeJP	NA	NA
+PJ052160	ALLKKKF 	C42H74N10O8	846.5692	NA	PeJP	NA	NA
+MJ096105	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-eicosanoyl 	C54H86O7	846.637355	NA	MeJP	NA	NA
+MJ096106	Undecaprenyl phosphate 	C55H91O4P	846.665497	NA	MeJP	NA	NA
+MetaCyc04179	undecaprenyl phosphate []	C55H91O4P1	846.665498	NA	metacyc	NA	NA
+C00348	all-trans-Undecaprenyl phosphate	C55H91O4P	846.6655	NA	KEGG	NA	NA
+C17556	di-trans,poly-cis-Undecaprenyl phosphate	C55H91O4P	846.6655	NA	KEGG	NA	NA
+EUR1103	SM(d18:1/22:0) [M-H+acetate]-	C45H91N2O6P	846.682576	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1103	SM(d18:1/22:0) [M-H+acetate]-	C45H91N2O6P	846.682576	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1103	SM(d18:1/22:0) [M-H+acetate]-	C45H91N2O6P	846.682576	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1103	SM(d18:1/22:0) [M-H+acetate]-	C45H91N2O6P	846.682576	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096107	20(29)-Lupen-3-ol, Nonacosanoyl 	C59H106O2	846.819282	NA	MeJP	NA	NA
+7416	coeliac toxic peptide	QQFPQPQQPFPQQP	846.901	MH2+	Inhouse_peptide	NA	peptide
+7426	coeliac toxic peptide	QQPFPQQPQQPFPQ	846.901	MH2+	Inhouse_peptide	NA	peptide
+7427	coeliac toxic peptide	QQPFPQQPQQPFPQ	846.901	MH2+	Inhouse_peptide	NA	peptide
+PJ052161	PCCCCCCN 	C27H45N9O10S6	847.1614	NA	PeJP	NA	NA
+PJ052162	GCCCCNDM 	C27H45N9O12S5	847.1792	NA	PeJP	NA	NA
+PJ052163	CCCCCQW 	C31H45N9O9S5	847.1944	NA	PeJP	NA	NA
+PJ052164	SSCCCCNE 	C27H45N9O14S4	847.1969	NA	PeJP	NA	NA
+PJ052165	CCDDDDY 	C31H41N7O17S2	847.2001	NA	PeJP	NA	NA
+PJ052166	CCDDMMM 	C29H49N7O12S5	847.2043	NA	PeJP	NA	NA
+PJ052167	GSSCCCCW 	C31H45N9O11S4	847.2122	NA	PeJP	NA	NA
+PJ052168	GSSSSCCCD 	C27H45N9O16S3	847.2147	NA	PeJP	NA	NA
+PJ052169	GSCCCNMM 	C28H49N9O11S5	847.2155	NA	PeJP	NA	NA
+PJ052170	GGGSCCCMM 	C28H49N9O11S5	847.2156	NA	PeJP	NA	NA
+PJ052171	CCDDDMF 	C32H45N7O14S3	847.2187	NA	PeJP	NA	NA
+PJ052172	CCCDMHH 	C30H45N11O10S4	847.2234	NA	PeJP	NA	NA
+PJ052173	GTCCCCCR 	C27H49N11O10S5	847.2268	NA	PeJP	NA	NA
+PJ052174	CDDDDEH 	C30H41N9O18S	847.2291	NA	PeJP	NA	NA
+PJ052175	CCCNNEY 	C31H45N9O13S3	847.2299	NA	PeJP	NA	NA
+PJ052176	CCCCCKW 	C32H49N9O8S5	847.2308	NA	PeJP	NA	NA
+PJ052177	SSSCCCQM 	C28H49N9O13S4	847.2333	NA	PeJP	NA	NA
+PJ052178	SCCDEEY 	C32H45N7O16S2	847.2364	NA	PeJP	NA	NA
+PJ052179	SCDDDMY 	C32H45N7O16S2	847.2365	NA	PeJP	NA	NA
+PJ052180	PCCCEMY 	C33H49N7O11S4	847.2373	NA	PeJP	NA	NA
+PJ052181	SCDMMMM 	C30H53N7O11S5	847.2407	NA	PeJP	NA	NA
+PJ052182	GPCCCNDH 	C30H45N11O12S3	847.2412	NA	PeJP	NA	NA
+PJ052183	SSSCCCCR 	C27H49N11O12S4	847.2445	NA	PeJP	NA	NA
+PJ052184	GCCCNYW 	C35H45N9O10S3	847.2452	NA	PeJP	NA	NA
+PJ052185	GSSCCNDY 	C31H45N9O15S2	847.2477	NA	PeJP	NA	NA
+PJ052186	CCCNQMF 	C32H49N9O10S4	847.2486	NA	PeJP	NA	NA
+PJ052187	GSSSSSCCM 	C28H49N9O15S3	847.2511	NA	PeJP	NA	NA
+PJ052188	GTCCCCKM 	C29H53N9O10S5	847.2519	NA	PeJP	NA	NA
+PJ052189	GCDEMMY 	C33H49N7O13S3	847.2551	NA	PeJP	NA	NA
+PJ052190	CNNDDMH 	C30H45N11O14S2	847.2589	NA	PeJP	NA	NA
+PJ052191	ACMMMMM 	C31H57N7O8S6	847.2593	NA	PeJP	NA	NA
+PJ052192	CCCCNFR 	C31H49N11O9S4	847.2598	NA	PeJP	NA	NA
+PJ052193	SCDEEEH 	C31H45N9O17S	847.2654	NA	PeJP	NA	NA
+PJ052194	SDDDEMH 	C31H45N9O17S	847.2655	NA	PeJP	NA	NA
+PJ052195	SCCNQMY 	C32H49N9O12S3	847.2663	NA	PeJP	NA	NA
+PJ052196	SSSSSSTCC 	C28H49N9O17S2	847.2688	NA	PeJP	NA	NA
+PJ052197	GCDDEFY 	C36H45N7O15S	847.2695	NA	PeJP	NA	NA
+PJ052198	SSSCCCKM 	C29H53N9O12S4	847.2697	NA	PeJP	NA	NA
+PJ052199	GSCCNNNH 	C29H45N13O13S2	847.2702	NA	PeJP	NA	NA
+PJ052200	CDMMYW 	C37H49N7O10S3	847.2703	NA	PeJP	NA	NA
+PJ052201	PDDDEEE 	C32H45N7O20	847.272	NA	PeJP	NA	NA
+PJ052202	SSDDMMY 	C33H49N7O15S2	847.2728	NA	PeJP	NA	NA
+PJ052203	PTCCMMY 	C34H53N7O10S4	847.2737	NA	PeJP	NA	NA
+PJ052204	GCCNEHW 	C34H45N11O11S2	847.2742	NA	PeJP	NA	NA
+PJ052205	GSSCNDEH 	C30H45N11O16S	847.2767	NA	PeJP	NA	NA
+PJ052206	SSMMMMM 	C31H57N7O10S5	847.2771	NA	PeJP	NA	NA
+PJ052207	SCCCNRY 	C31H49N11O11S3	847.2775	NA	PeJP	NA	NA
+PJ052208	GGSCCCRY 	C31H49N11O11S3	847.2776	NA	PeJP	NA	NA
+PJ052209	GCNNDYY 	C35H45N9O14S	847.2807	NA	PeJP	NA	NA
+PJ052210	GSPNDDDE 	C31H45N9O19	847.2832	NA	PeJP	NA	NA
+PJ052211	GSSSCNMY 	C32H49N9O14S2	847.2841	NA	PeJP	NA	NA
+PJ052212	CDDFYW 	C40H45N7O12S	847.2847	NA	PeJP	NA	NA
+PJ052213	CCCNKMF 	C33H53N9O9S4	847.2849	NA	PeJP	NA	NA
+PJ052214	GGCCCKMF 	C33H53N9O9S4	847.285	NA	PeJP	NA	NA
+PJ052215	PCCDHHH 	C33H45N13O10S2	847.2854	NA	PeJP	NA	NA
+PJ052216	GSDDEYY 	C36H45N7O17	847.2872	NA	PeJP	NA	NA
+PJ052217	GPCDMYY 	C37H49N7O12S2	847.2881	NA	PeJP	NA	NA
+PJ052218	CMMMFW 	C38H53N7O7S4	847.289	NA	PeJP	NA	NA
+PJ052219	CCNHWW 	C38H45N11O8S2	847.2894	NA	PeJP	NA	NA
+PJ052220	GSEMMMY 	C34H53N7O12S3	847.2915	NA	PeJP	NA	NA
+PJ052221	SSCNDHW 	C34H45N11O13S	847.2919	NA	PeJP	NA	NA
+PJ052222	ACCMHHF 	C35H49N11O8S3	847.2928	NA	PeJP	NA	NA
+PJ052223	SSSSNDDH 	C30H45N11O18	847.2944	NA	PeJP	NA	NA
+PJ052224	GGGGNNDEE 	C30H45N11O18	847.2945	NA	PeJP	NA	NA
+PJ052225	SNNDMMH 	C31H49N11O13S2	847.2953	NA	PeJP	NA	NA
+PJ052226	SPNDDDW 	C35H45N9O16	847.2985	NA	PeJP	NA	NA
+PJ052227	DEMMHW 	C36H49N9O11S2	847.2993	NA	PeJP	NA	NA
+PJ052228	SSSSSCQY 	C32H49N9O16S	847.3018	NA	PeJP	NA	NA
+PJ052229	GGGGPDEEM 	C32H49N9O16S	847.3019	NA	PeJP	NA	NA
+PJ052230	SDDYYW 	C40H45N7O14	847.3025	NA	PeJP	NA	NA
+PJ052231	SCCNKMY 	C33H53N9O11S3	847.3027	NA	PeJP	NA	NA
+PJ052232	GDDMHHH 	C33H45N13O12S	847.3032	NA	PeJP	NA	NA
+PJ052233	CDMFFW 	C41H49N7O9S2	847.3034	NA	PeJP	NA	NA
+PJ052234	GSNNNNND 	C29H45N13O17	847.3057	NA	PeJP	NA	NA
+PJ052235	NEEMYY 	C37H49N7O14S	847.3058	NA	PeJP	NA	NA
+PJ052236	GGEEMYY 	C37H49N7O14S	847.3059	NA	PeJP	NA	NA
+PJ052237	SCCNEHR 	C30H49N13O12S2	847.3065	NA	PeJP	NA	NA
+PJ052238	GGSCCEHR 	C30H49N13O12S2	847.3066	NA	PeJP	NA	NA
+PJ052239	SMMMYW 	C38H53N7O9S3	847.3067	NA	PeJP	NA	NA
+PJ052240	SPEEEEE 	C33H49N7O19	847.3084	NA	PeJP	NA	NA
+PJ052241	SSTEMMY 	C34H53N7O14S2	847.3092	NA	PeJP	NA	NA
+PJ052242	GNNNDEW 	C34H45N11O15	847.3097	NA	PeJP	NA	NA
+PJ052243	AAMMMMY 	C35H57N7O9S4	847.3101	NA	PeJP	NA	NA
+PJ052244	GSCQMHW 	C35H49N11O10S2	847.3106	NA	PeJP	NA	NA
+PJ052245	PCNDDER 	C31H49N11O15S	847.3131	NA	PeJP	NA	NA
+PJ052246	DDEHFW 	C39H45N9O13	847.3137	NA	PeJP	NA	NA
+PJ052247	GNQMMMH 	C32H53N11O10S3	847.3139	NA	PeJP	NA	NA
+PJ052248	GGGGAMMMH 	C32H53N11O10S3	847.314	NA	PeJP	NA	NA
+PJ052249	SCNNHHH 	C32H45N15O11S	847.3144	NA	PeJP	NA	NA
+PJ052250	GPPCCWW 	C40H49N9O8S2	847.3146	NA	PeJP	NA	NA
+PJ052251	GPNDEMW 	C36H49N9O13S	847.3171	NA	PeJP	NA	NA
+PJ052252	CEHHHW 	C37H45N13O9S	847.3184	NA	PeJP	NA	NA
+PJ052253	GSSSSSSSY 	C32H49N9O18	847.3196	NA	PeJP	NA	NA
+PJ052254	GSSTCCKY 	C33H53N9O13S2	847.3205	NA	PeJP	NA	NA
+PJ052255	SSDEHHH 	C33H45N13O14	847.3209	NA	PeJP	NA	NA
+PJ052256	GGGGPDDHH 	C33H45N13O14	847.321	NA	PeJP	NA	NA
+PJ052257	GEMYYW 	C41H49N7O11S	847.3211	NA	PeJP	NA	NA
+PJ052258	APMMMMH 	C34H57N9O8S4	847.3213	NA	PeJP	NA	NA
+PJ052259	GSCCHRW 	C34H49N13O9S2	847.3218	NA	PeJP	NA	NA
+PJ052260	GSTEEYY 	C37H49N7O16	847.3236	NA	PeJP	NA	NA
+PJ052261	GSSSCDHR 	C30H49N13O14S	847.3243	NA	PeJP	NA	NA
+PJ052262	GSPMMYY 	C38H53N7O11S2	847.3245	NA	PeJP	NA	NA
+PJ052263	NNNDWW 	C38H45N11O12	847.3249	NA	PeJP	NA	NA
+PJ052264	GGNNDWW 	C38H45N11O12	847.325	NA	PeJP	NA	NA
+PJ052265	GCNMMHR 	C31H53N13O9S3	847.3252	NA	PeJP	NA	NA
+PJ052266	PVDEEEM 	C34H53N7O16S	847.327	NA	PeJP	NA	NA
+PJ052267	ATTMMMY 	C35H57N7O11S3	847.3278	NA	PeJP	NA	NA
+PJ052268	GPCDDRW 	C35H49N11O12S	847.3283	NA	PeJP	NA	NA
+PJ052269	GNDEEER 	C31H49N11O17	847.3308	NA	PeJP	NA	NA
+PJ052270	GGGGGGGATEE 	C31H49N11O17	847.3309	NA	PeJP	NA	NA
+PJ052271	GSPPCCER 	C32H53N11O12S2	847.3317	NA	PeJP	NA	NA
+8085	peptide derived from tuna cooking juice	VDHDHPE	847.3318	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ052272	PNDMWW 	C40H49N9O10S	847.3323	NA	PeJP	NA	NA
+PJ052273	GGPDMWW 	C40H49N9O10S	847.3324	NA	PeJP	NA	NA
+PJ052274	QQEEEW 	C36H49N9O15	847.3348	NA	PeJP	NA	NA
+PJ052275	GAQEEEW 	C36H49N9O15	847.3349	NA	PeJP	NA	NA
+PJ052276	CNNNNNR 	C29H49N15O13S	847.3355	NA	PeJP	NA	NA
+PJ052277	GGGGGGCNNR 	C29H49N15O13S	847.3356	NA	PeJP	NA	NA
+PJ052278	SPPCQMW 	C37H53N9O10S2	847.3357	NA	PeJP	NA	NA
+PJ052279	MYYWW 	C45H49N7O8S	847.3364	NA	PeJP	NA	NA
+PJ052280	SSSSSCKY 	C33H53N9O15S	847.3382	NA	PeJP	NA	NA
+PJ052281	STEYYW 	C41H49N7O13	847.3389	NA	PeJP	NA	NA
+PJ052282	TCCCKKY 	C34H57N9O10S3	847.3391	NA	PeJP	NA	NA
+PJ052283	GCNDHFR 	C34H49N13O11S	847.3396	NA	PeJP	NA	NA
+PJ052284	AMMFYW 	C42H53N7O8S2	847.3397	NA	PeJP	NA	NA
+PJ052285	GSSNNNQQ 	C30H49N13O16	847.342	NA	PeJP	NA	NA
+PJ052286	GDDDDRR 	C30H49N13O16	847.3421	NA	PeJP	NA	NA
+PJ052287	DKEMYY 	C38H53N7O13S	847.3422	NA	PeJP	NA	NA
+PJ052288	SSCQMHR 	C31H53N13O11S2	847.3429	NA	PeJP	NA	NA
+PJ052289	GGGGGGPCMR 	C31H53N13O11S2	847.343	NA	PeJP	NA	NA
+PJ052290	AAMMMFF 	C39H57N7O8S3	847.3431	NA	PeJP	NA	NA
+PJ052291	NNMHFW 	C39H49N11O9S	847.3436	NA	PeJP	NA	NA
+PJ052292	ALEEEEE 	C34H53N7O18	847.3447	NA	PeJP	NA	NA
+PJ052293	VVDEEEE 	C34H53N7O18	847.3448	NA	PeJP	NA	NA
+PJ052294	TTTTMMY 	C35H57N7O13S2	847.3456	NA	PeJP	NA	NA
+PJ052295	NDEERW 	C35H49N11O14	847.3461	NA	PeJP	NA	NA
+PJ052296	SPPCCRW 	C36H53N11O9S2	847.3469	NA	PeJP	NA	NA
+PJ052297	GSCKMHW 	C36H53N11O9S2	847.347	NA	PeJP	NA	NA
+PJ052298	APCWWW 	C44H49N9O7S	847.3476	NA	PeJP	NA	NA
+PJ052299	PTCDQER 	C32H53N11O14S	847.3494	NA	PeJP	NA	NA
+PJ052300	SPNDEMR 	C32H53N11O14S	847.3495	NA	PeJP	NA	NA
+PJ052301	AQEEWW 	C40H49N9O12	847.3501	NA	PeJP	NA	NA
+PJ052302	PPCNMMR 	C33H57N11O9S3	847.3503	NA	PeJP	NA	NA
+PJ052303	PMMHFW 	C41H53N9O7S2	847.351	NA	PeJP	NA	NA
+PJ052304	GPTQEMW 	C37H53N9O12S	847.3535	NA	PeJP	NA	NA
+PJ052305	GPYYYW 	C45H49N7O10	847.3541	NA	PeJP	NA	NA
+PJ052306	SSCCHRR 	C30H53N15O10S2	847.3542	NA	PeJP	NA	NA
+PJ052307	LMMMHW 	C38H57N9O7S3	847.3543	NA	PeJP	NA	NA
+PJ052308	TMHHHW 	C38H49N13O8S	847.3548	NA	PeJP	NA	NA
+PJ052309	GQKEEEE 	C33H53N9O17	847.356	NA	PeJP	NA	NA
+PJ052310	STLEMMH 	C34H57N9O12S2	847.3568	NA	PeJP	NA	NA
+PJ052311	GGPVQEMM 	C34H57N9O12S2	847.3569	NA	PeJP	NA	NA
+PJ052312	GSNNDRW 	C34H49N13O13	847.3573	NA	PeJP	NA	NA
+PJ052313	SVMYYW 	C42H53N7O10S	847.3575	NA	PeJP	NA	NA
+PJ052314	GVMMHHH 	C35H53N13O8S2	847.3582	NA	PeJP	NA	NA
+PJ052315	GSHHHHH 	C35H45N17O9	847.3587	NA	PeJP	NA	NA
+PJ052316	SSSLEYY 	C38H53N7O15	847.36	NA	PeJP	NA	NA
+PJ052317	SPCDDRR 	C31H53N13O13S	847.3607	NA	PeJP	NA	NA
+PJ052318	LQMMYY 	C39H57N7O10S2	847.3609	NA	PeJP	NA	NA
+PJ052319	GDERWW 	C39H49N11O11	847.3613	NA	PeJP	NA	NA
+PJ052320	GGGGGATWW 	C39H49N11O11	847.3614	NA	PeJP	NA	NA
+PJ052321	ACCKMHR 	C32H57N13O8S3	847.3616	NA	PeJP	NA	NA
+PJ052322	PTLEEEM 	C35H57N7O15S	847.3634	NA	PeJP	NA	NA
+PJ052323	PPLEMMM 	C36H61N7O10S3	847.3642	NA	PeJP	NA	NA
+PJ052324	GSPDMRW 	C36H53N11O11S	847.3647	NA	PeJP	NA	NA
+PJ052325	AAEWWW 	C44H49N9O9	847.3654	NA	PeJP	NA	NA
+PJ052326	GTQEEER 	C32H53N11O16	847.3672	NA	PeJP	NA	NA
+PJ052327	GPQEMMR 	C33H57N11O11S2	847.3681	NA	PeJP	NA	NA
+PJ052328	GNQQQHH 	C33H49N15O12	847.3685	NA	PeJP	NA	NA
+PJ052329	GGGQQQHH 	C33H49N15O12	847.3686	NA	PeJP	NA	NA
+PJ052330	PTQMWW 	C41H53N9O9S	847.3687	NA	PeJP	NA	NA
+PJ052331	FFYWW 	C49H49N7O7	847.3694	NA	PeJP	NA	NA
+PJ052332	QKEEEW 	C37H53N9O14	847.3712	NA	PeJP	NA	NA
+PJ052333	GGGGPVEEF 	C37H53N9O14	847.3713	NA	PeJP	NA	NA
+PJ052334	GCNNERR 	C30H53N15O12S	847.3719	NA	PeJP	NA	NA
+PJ052335	GPVQMMW 	C38H57N9O9S2	847.3721	NA	PeJP	NA	NA
+PJ052336	GSPQHHW 	C38H49N13O10	847.3726	NA	PeJP	NA	NA
+PJ052337	AMFFFW 	C46H53N7O7S	847.3728	NA	PeJP	NA	NA
+PJ052338	SPQKEEM 	C34H57N9O14S	847.3746	NA	PeJP	NA	NA
+PJ052339	PDKYYY 	C42H53N7O12	847.3752	NA	PeJP	NA	NA
+PJ052340	GGLEFYY 	C42H53N7O12	847.3753	NA	PeJP	NA	NA
+PJ052341	SVLMMMH 	C35H61N9O9S3	847.3755	NA	PeJP	NA	NA
+PJ052342	NNQMRW 	C35H53N13O10S	847.3759	NA	PeJP	NA	NA
+PJ052343	GGGGQMRW 	C35H53N13O10S	847.376	NA	PeJP	NA	NA
+PJ052344	DRWWW 	C43H49N11O8	847.3766	NA	PeJP	NA	NA
+MJ096108	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 13-(3-Dimethylamino-3-phenylpropanoyl)(R-), 10-benzoyl, 2,4,7,9-tetra-Ac 	C46H57NO14	847.377905	NA	MeJP	NA	NA
+MJ096109	Taxol?; 7-Epimer, N-debenzoyl, N-hexanoyl 	C46H57NO14	847.377905	NA	MeJP	NA	NA
+MJ096110	Taxol?; N-Debenzoyl, N-hexanoyl 	C46H57NO14	847.377905	NA	MeJP	NA	NA
+PJ052345	ASDDERR 	C31H53N13O15	847.3784	NA	PeJP	NA	NA
+PJ052346	GSDEERR 	C31H53N13O15	847.3785	NA	PeJP	NA	NA
+PJ052347	GTTLMYY 	C39H57N7O12S	847.3786	NA	PeJP	NA	NA
+PJ052348	GPCEMRR 	C32H57N13O10S2	847.3793	NA	PeJP	NA	NA
+PJ052349	GNNNHHR 	C32H49N17O11	847.3798	NA	PeJP	NA	NA
+PJ052350	PTCRWW 	C40H53N11O8S	847.38	NA	PeJP	NA	NA
+PJ052351	SLLEEEE 	C35H57N7O17	847.3811	NA	PeJP	NA	NA
+PJ052352	PVLEEMM 	C36H61N7O12S2	847.382	NA	PeJP	NA	NA
+PJ052353	TQEERW 	C36H53N11O13	847.3825	NA	PeJP	NA	NA
+PJ052354	PQMMRW 	C37H57N11O8S2	847.3833	NA	PeJP	NA	NA
+PJ052355	DHHHFR 	C37H49N15O9	847.3838	NA	PeJP	NA	NA
+PJ052356	GVQEEMR 	C33H57N11O13S	847.3858	NA	PeJP	NA	NA
+PJ052357	GGGLEEMR 	C33H57N11O13S	847.3859	NA	PeJP	NA	NA
+PJ052358	AKEEWW 	C41H53N9O11	847.3865	NA	PeJP	NA	NA
+PJ052359	ACKKMMH 	C34H61N11O8S3	847.3867	NA	PeJP	NA	NA
+PJ052360	CNNRRW 	C34H53N15O9S	847.3872	NA	PeJP	NA	NA
+PJ052361	SSNNDRR 	C30H53N15O14	847.3897	NA	PeJP	NA	NA
+PJ052362	GPTKEMW 	C38H57N9O11S	847.3899	NA	PeJP	NA	NA
+PJ052363	GLFYYW 	C46H53N7O9	847.3905	NA	PeJP	NA	NA
+PJ052364	SSSPTLQE 	C34H57N9O16	847.3923	NA	PeJP	NA	NA
+PJ052365	GKKEEEE 	C34H57N9O16	847.3924	NA	PeJP	NA	NA
+PJ052366	PVNKEMM 	C35H61N9O11S2	847.3932	NA	PeJP	NA	NA
+PJ052367	SDERRW 	C35H53N13O12	847.3937	NA	PeJP	NA	NA
+PJ052368	PKMFYY 	C43H57N7O9S	847.3939	NA	PeJP	NA	NA
+PJ052369	PCMRRW 	C36H57N13O7S2	847.3946	NA	PeJP	NA	NA
+PJ052370	STTTLYY 	C39H57N7O14	847.3964	NA	PeJP	NA	NA
+PJ052371	QEEMRR 	C32H57N13O12S	847.3971	NA	PeJP	NA	NA
+PJ052372	LKMMYY 	C40H61N7O9S2	847.3972	NA	PeJP	NA	NA
+PJ052373	PPPLMMY 	C40H61N7O9S2	847.3973	NA	PeJP	NA	NA
+PJ052374	ATERWW 	C40H53N11O10	847.3977	NA	PeJP	NA	NA
+PJ052375	VVLEEEM 	C36H61N7O14S	847.3998	NA	PeJP	NA	NA
+PJ052376	VQEMRW 	C37H57N11O10S	847.4011	NA	PeJP	NA	NA
+PJ052377	GTLWWW 	C45H53N9O8	847.4017	NA	PeJP	NA	NA
+PJ052378	GGPVFWW 	C45H53N9O8	847.4018	NA	PeJP	NA	NA
+PJ052379	GTKEEER 	C33H57N11O15	847.4036	NA	PeJP	NA	NA
+PJ052380	GPKEMMR 	C34H61N11O10S2	847.4045	NA	PeJP	NA	NA
+PJ052381	AAQEHHR 	C34H53N15O11	847.4049	NA	PeJP	NA	NA
+PJ052382	GGGVEHHR 	C34H53N15O11	847.405	NA	PeJP	NA	NA
+PJ052383	PTKMWW 	C42H57N9O8S	847.4051	NA	PeJP	NA	NA
+PJ052384	KKEEEW 	C38H57N9O13	847.4076	NA	PeJP	NA	NA
+PJ052385	DDMRRR 	C31H57N15O11S	847.4083	NA	PeJP	NA	NA
+PJ052386	GPVKMMW 	C39H61N9O8S2	847.4085	NA	PeJP	NA	NA
+PJ052387	GSPKHHW 	C39H53N13O9	847.409	NA	PeJP	NA	NA
+PJ052388	SPKKEEM 	C35H61N9O13S	847.411	NA	PeJP	NA	NA
+PJ052389	VLQYYY 	C43H57N7O11	847.4116	NA	PeJP	NA	NA
+PJ052390	AEMRRW 	C36H57N13O9S	847.4123	NA	PeJP	NA	NA
+PJ052391	GPFRWW 	C44H53N11O7	847.413	NA	PeJP	NA	NA
+PJ052392	GTTEERR 	C32H57N13O14	847.4148	NA	PeJP	NA	NA
+PJ052393	GGGGGGGSSKK 	C32H57N13O14	847.4149	NA	PeJP	NA	NA
+PJ052394	PPVLEMY 	C40H61N7O11S	847.415	NA	PeJP	NA	NA
+PJ052395	GPTMMRR 	C33H61N13O9S2	847.4157	NA	PeJP	NA	NA
+PJ052396	NEHHRR 	C33H53N17O10	847.4162	NA	PeJP	NA	NA
+PJ052397	GLMRWW 	C41H57N11O7S	847.4164	NA	PeJP	NA	NA
+PJ052398	ASSLERW 	C37H57N11O12	847.4188	NA	PeJP	NA	NA
+PJ052399	TKEERW 	C37H57N11O12	847.4189	NA	PeJP	NA	NA
+PJ052400	GSCNRRR 	C30H57N17O10S	847.4195	NA	PeJP	NA	NA
+PJ052401	GGGSCRRR 	C30H57N17O10S	847.4196	NA	PeJP	NA	NA
+PJ052402	PKMMRW 	C38H61N11O7S2	847.4197	NA	PeJP	NA	NA
+PJ052403	VNHHRW 	C38H53N15O8	847.4202	NA	PeJP	NA	NA
+PJ052404	GVKEEMR 	C34H61N11O12S	847.4222	NA	PeJP	NA	NA
+PJ052405	SLKEWW 	C42H57N9O10	847.4229	NA	PeJP	NA	NA
+PJ052406	APCKHHR 	C35H57N15O8S	847.4236	NA	PeJP	NA	NA
+PJ052407	SSSQQRR 	C31H57N15O13	847.4261	NA	PeJP	NA	NA
+PJ052408	AALKEMW 	C39H61N9O10S	847.4262	NA	PeJP	NA	NA
+PJ052409	GVVKEMW 	C39H61N9O10S	847.4263	NA	PeJP	NA	NA
+PJ052410	PKFFFY 	C47H57N7O8	847.4269	NA	PeJP	NA	NA
+PJ052411	SVKKEEE 	C35H61N9O15	847.4287	NA	PeJP	NA	NA
+PJ052412	SLDKKEE 	C35H61N9O15	847.4288	NA	PeJP	NA	NA
+PJ052413	PVDKKMM 	C36H65N9O10S2	847.4296	NA	PeJP	NA	NA
+PJ052414	TTERRW 	C36H57N13O11	847.4301	NA	PeJP	NA	NA
+PJ052415	LKMFFY 	C44H61N7O8S	847.4303	NA	PeJP	NA	NA
+PJ052416	GHHRRW 	C37H53N17O7	847.4314	NA	PeJP	NA	NA
+PJ052417	PVVLEEY 	C40H61N7O13	847.4328	NA	PeJP	NA	NA
+PJ052418	ASQQKMR 	C33H61N13O11S	847.4334	NA	PeJP	NA	NA
+PJ052419	KEEMRR 	C33H61N13O11S	847.4335	NA	PeJP	NA	NA
+PJ052420	PPLLMMF 	C41H65N7O8S2	847.4336	NA	PeJP	NA	NA
+PJ052421	STLRWW 	C41H57N11O9	847.4341	NA	PeJP	NA	NA
+PJ052422	TLLLEEM 	C37H65N7O13S	847.4361	NA	PeJP	NA	NA
+PJ052423	PLLLMMM 	C38H69N7O8S3	847.437	NA	PeJP	NA	NA
+PJ052424	VKEMRW 	C38H61N11O9S	847.4375	NA	PeJP	NA	NA
+PJ052425	VLHFFW 	C46H57N9O7	847.4381	NA	PeJP	NA	NA
+PJ052426	SSLKEER 	C34H61N11O14	847.44	NA	PeJP	NA	NA
+PJ052427	AVLQMMR 	C35H65N11O9S2	847.4408	NA	PeJP	NA	NA
+PJ052428	SPVKMMR 	C35H65N11O9S2	847.4409	NA	PeJP	NA	NA
+PJ052429	NQQFRR 	C35H57N15O10	847.4413	NA	PeJP	NA	NA
+PJ052430	VVKMWW 	C43H61N9O7S	847.4415	NA	PeJP	NA	NA
+PJ052431	ATTLKEW 	C39H61N9O12	847.444	NA	PeJP	NA	NA
+PJ052432	TEMRRR 	C32H61N15O10S	847.4447	NA	PeJP	NA	NA
+PJ052433	APRRYW 	C40H57N13O8	847.4453	NA	PeJP	NA	NA
+PJ052434	GPPVHRW 	C40H57N13O8	847.4454	NA	PeJP	NA	NA
+PJ052435	ALKKEEM 	C36H65N9O12S	847.4474	NA	PeJP	NA	NA
+PJ052436	VLKYYY 	C44H61N7O10	847.448	NA	PeJP	NA	NA
+PJ052437	SLMRRW 	C37H61N13O8S	847.4487	NA	PeJP	NA	NA
+PJ052438	SSTLERR 	C33H61N13O13	847.4512	NA	PeJP	NA	NA
+PJ052439	PVLLEMF 	C41H65N7O10S	847.4514	NA	PeJP	NA	NA
+PJ052440	AALMMRR 	C34H65N13O8S2	847.4521	NA	PeJP	NA	NA
+PJ052441	DKHHRR 	C34H57N17O9	847.4526	NA	PeJP	NA	NA
+PJ052442	VLLLEMM 	C38H69N7O10S2	847.4548	NA	PeJP	NA	NA
+PJ052443	SSSLLRW 	C38H61N11O11	847.4552	NA	PeJP	NA	NA
+PJ052444	GGGAAPKKY 	C38H61N11O11	847.4553	NA	PeJP	NA	NA
+MJ096111	Ancorinoside A 	C41H69NO17	847.456549	NA	MeJP	NA	NA
+MJ096112	Ancorinoside B 	C41H69NO17	847.456549	NA	MeJP	NA	NA
+PJ052445	PPHRRW 	C39H57N15O7	847.4566	NA	PeJP	NA	NA
+PJ052446	ATLKEMR 	C35H65N11O11S	847.4586	NA	PeJP	NA	NA
+PJ052447	AAPLKYW 	C43H61N9O9	847.4593	NA	PeJP	NA	NA
+PJ052448	SSSQKRR 	C32H61N15O12	847.4624	NA	PeJP	NA	NA
+PJ052449	GGSSTKRR 	C32H61N15O12	847.4625	NA	PeJP	NA	NA
+PJ052450	GTLLKMW 	C40H65N9O9S	847.4626	NA	PeJP	NA	NA
+PJ052451	VMMRRR 	C33H65N15O7S2	847.4633	NA	PeJP	NA	NA
+PJ052452	SHHRRR 	C33H57N19O8	847.4638	NA	PeJP	NA	NA
+PJ052453	TTLKKEE 	C36H65N9O14	847.4651	NA	PeJP	NA	NA
+PJ052454	PTLKKMM 	C37H69N9O9S2	847.466	NA	PeJP	NA	NA
+PJ052455	GSSKKRW 	C37H61N13O10	847.4665	NA	PeJP	NA	NA
+PJ052456	PTLLLEY 	C41H65N7O12	847.4691	NA	PeJP	NA	NA
+PJ052457	VVLLEEF 	C41H65N7O12	847.4692	NA	PeJP	NA	NA
+PJ052458	ATTLMRR 	C34H65N13O10S	847.4698	NA	PeJP	NA	NA
+PJ052459	GGATKKMR 	C34H65N13O10S	847.4699	NA	PeJP	NA	NA
+PJ052460	PVKRYW 	C42H61N11O8	847.4705	NA	PeJP	NA	NA
+MJ096113	Antibiotic B 1371A; 2'-Deoxy, 2',3'-didehydro 	C46H65N5O10	847.473143	NA	MeJP	NA	NA
+PJ052461	QKKKMW 	C39H65N11O8S	847.4739	NA	PeJP	NA	NA
+PJ052462	TTTLKER 	C35H65N11O13	847.4764	NA	PeJP	NA	NA
+PJ052463	GLLKMMR 	C36H69N11O8S2	847.4772	NA	PeJP	NA	NA
+PJ052464	PTRRRY 	C36H61N15O9	847.4777	NA	PeJP	NA	NA
+PJ052465	STTLLKW 	C40H65N9O11	847.4804	NA	PeJP	NA	NA
+PJ052466	GTCKKRR 	C33H65N15O9S	847.4811	NA	PeJP	NA	NA
+PJ052467	ALFRRW 	C41H61N13O7	847.4817	NA	PeJP	NA	NA
+PJ052468	SLLKKEM 	C37H69N9O11S	847.4838	NA	PeJP	NA	NA
+PJ052469	PPVLLFY 	C45H65N7O9	847.4844	NA	PeJP	NA	NA
+PJ052470	CKKKRW 	C38H65N13O7S	847.4851	NA	PeJP	NA	NA
+PJ052471	TTTTLRR 	C34H65N13O12	847.4876	NA	PeJP	NA	NA
+PJ052472	PVLLLMY 	C42H69N7O9S	847.4878	NA	PeJP	NA	NA
+PJ052473	GTTKKKW 	C39H65N11O10	847.4916	NA	PeJP	NA	NA
+MJ096114	Spiramycin S 	C42H73NO16	847.492935	NA	MeJP	NA	NA
+PJ052474	STLLKMR 	C36H69N11O10S	847.495	NA	PeJP	NA	NA
+PJ052475	AALLKFW 	C44H65N9O8	847.4957	NA	PeJP	NA	NA
+PJ052476	SSSKKRR 	C33H65N15O11	847.4988	NA	PeJP	NA	NA
+PJ052477	PVVKKMF 	C41H69N9O8S	847.499	NA	PeJP	NA	NA
+PJ052478	SSSTLLLK 	C37H69N9O13	847.5015	NA	PeJP	NA	NA
+PJ052479	VVLKKMM 	C38H73N9O8S2	847.5024	NA	PeJP	NA	NA
+PJ052480	LLQRRY 	C38H65N13O9	847.5029	NA	PeJP	NA	NA
+PJ052481	VVLLLEY 	C42H69N7O11	847.5055	NA	PeJP	NA	NA
+PJ052482	GTKKKMR 	C35H69N13O9S	847.5062	NA	PeJP	NA	NA
+PJ052483	VLKFRW 	C43H65N11O7	847.5069	NA	PeJP	NA	NA
+PJ052484	KKKKMW 	C40H69N11O7S	847.5103	NA	PeJP	NA	NA
+PJ052485	STKKKKE 	C36H69N11O12	847.5127	NA	PeJP	NA	NA
+PJ052486	GSSTLKKK 	C36H69N11O12	847.5128	NA	PeJP	NA	NA
+PJ052487	VVRRRY 	C37H65N15O8	847.5141	NA	PeJP	NA	NA
+PJ052488	SPLLKKY 	C41H69N9O10	847.5168	NA	PeJP	NA	NA
+PJ052489	PVLLLFF 	C46H69N7O8	847.5208	NA	PeJP	NA	NA
+PJ052490	STTKKKR 	C35H69N13O11	847.524	NA	PeJP	NA	NA
+PJ052491	VLLLLMF 	C43H73N7O8S	847.5242	NA	PeJP	NA	NA
+PJ052492	GVLLKRY 	C40H69N11O9	847.528	NA	PeJP	NA	NA
+PJ052493	SVKKKKM 	C37H73N11O9S	847.5314	NA	PeJP	NA	NA
+PJ052494	LLKRRY 	C39H69N13O8	847.5392	NA	PeJP	NA	NA
+PJ052495	PPPLLRR 	C39H69N13O8	847.5393	NA	PeJP	NA	NA
+PJ052496	TLLLLLY 	C43H73N7O10	847.5419	NA	PeJP	NA	NA
+PJ052497	ALLLKKY 	C42H73N9O9	847.5532	NA	PeJP	NA	NA
+PJ052498	GLKKKKF 	C41H73N11O8	847.5644	NA	PeJP	NA	NA
+HMDB09476	PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09507	PE(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09538	PE(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09539	PE(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09570	PE(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09601	PE(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09634	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09667	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09699	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+HMDB09764	PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C49H86NO8P	847.609131	NA	HMDB2010	NA	NA
+EUR963	PC 36:1 [M-H+acetate]-	C44H86NO8P	847.630207	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR963	PC 36:1 [M-H+acetate]-	C44H86NO8P	847.630207	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR963	PC 36:1 [M-H+acetate]-	C44H86NO8P	847.630207	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR963	PC 36:1 [M-H+acetate]-	C44H86NO8P	847.630207	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096115	Rhodoquinone 10 	C58H89NO3	847.684245	NA	MeJP	NA	NA
+PJ052499	PCCCCCCD 	C27H44N8O11S6	848.1454	NA	PeJP	NA	NA
+PJ052500	GCCCCDDM 	C27H44N8O13S5	848.1632	NA	PeJP	NA	NA
+MJ096116	Victorin B; 5''-Chloro 	C31H44Cl4N6O13	848.172046	NA	MeJP	NA	NA
+PJ052501	SCCCCCNN 	C26H44N10O12S5	848.1744	NA	PeJP	NA	NA
+PJ052502	CCCCCEW 	C31H44N8O10S5	848.1784	NA	PeJP	NA	NA
+PJ052503	SSCCCCDE 	C27H44N8O15S4	848.1809	NA	PeJP	NA	NA
+PJ052504	SPCCCCCM 	C28H48N8O10S6	848.1818	NA	PeJP	NA	NA
+PJ052505	GSCCCDMM 	C28H48N8O12S5	848.1996	NA	PeJP	NA	NA
+PJ052506	CCCNDEY 	C31H44N8O14S3	848.2139	NA	PeJP	NA	NA
+PJ052507	GGCCCDEY 	C31H44N8O14S3	848.214	NA	PeJP	NA	NA
+PJ052508	TCCCCMW 	C32H48N8O9S5	848.2148	NA	PeJP	NA	NA
+MJ096117	Sennidin, 1''-Alcohol, 5,5'-di-O-?-D-glucopyranoside 	C42H40O19	848.216379	NA	MeJP	NA	NA
+MJ096118	Sennidin, 1''-Alcohol, 5,5'-di-O-?-glucopyranoside 	C42H40O19	848.216379	NA	MeJP	NA	NA
+C16797	Sennoside C	C42H40O19	848.2164	NA	KEGG	NA	NA
+C16798	Sennoside D	C42H40O19	848.2164	NA	KEGG	NA	NA
+PJ052509	SSSCCCEM 	C28H48N8O14S4	848.2173	NA	PeJP	NA	NA
+PJ052510	CCCQMMM 	C29H52N8O9S6	848.2182	NA	PeJP	NA	NA
+PJ052511	GSCCCCHH 	C29H44N12O10S4	848.2187	NA	PeJP	NA	NA
+PJ052512	GPCCCDDH 	C30H44N10O13S3	848.2252	NA	PeJP	NA	NA
+PJ052513	GCCCDYW 	C35H44N8O11S3	848.2292	NA	PeJP	NA	NA
+PJ052514	CCCCMMR 	C28H52N10O8S6	848.2294	NA	PeJP	NA	NA
+PJ052515	GSSCCDDY 	C31H44N8O16S2	848.2317	NA	PeJP	NA	NA
+PJ052516	GPTCCCCY 	C32H48N8O11S4	848.2326	NA	PeJP	NA	NA
+PJ052517	GSSCCMMM 	C29H52N8O11S5	848.2359	NA	PeJP	NA	NA
+MJ096119	3,4,7a,8,11-Pentahydroxy-1,13-dimethyl-7aH-dibenzo[c,kl]xanthen-12-one; 8-O-?-D-Glucopyranoside, 4-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H44O21	848.237508	NA	MeJP	NA	NA
+MJ096120	Diphyllin; O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranosyl-(1?5)-2-O-acetyl-?-D-apiofuranoside] 	C39H44O21	848.237508	NA	MeJP	NA	NA
+PJ052518	CNDDDMH 	C30H44N10O15S2	848.2429	NA	PeJP	NA	NA
+PJ052519	GGCDDDMH 	C30H44N10O15S2	848.243	NA	PeJP	NA	NA
+PJ052520	CCCCDFR 	C31H48N10O10S4	848.2438	NA	PeJP	NA	NA
+PJ052521	GCCCMFW 	C36H48N8O8S4	848.2478	NA	PeJP	NA	NA
+PJ052522	SCCNEMY 	C32H48N8O13S3	848.2503	NA	PeJP	NA	NA
+PJ052523	SSSTCCMM 	C29H52N8O13S4	848.2537	NA	PeJP	NA	NA
+PJ052524	GSCCNNDH 	C29H44N12O14S2	848.2542	NA	PeJP	NA	NA
+PJ052525	CCCKMMM 	C30H56N8O8S6	848.2546	NA	PeJP	NA	NA
+PJ052526	GCCDEHW 	C34H44N10O12S2	848.2582	NA	PeJP	NA	NA
+PJ052527	GSSCDDEH 	C30H44N10O17S	848.2607	NA	PeJP	NA	NA
+PJ052528	SCCCDRY 	C31H48N10O12S3	848.2616	NA	PeJP	NA	NA
+PJ052529	GCNDDYY 	C35H44N8O15S	848.2647	NA	PeJP	NA	NA
+PJ052530	GSCCMYW 	C36H48N8O10S3	848.2656	NA	PeJP	NA	NA
+PJ052531	GSPDDDDE 	C31H44N8O20	848.2672	NA	PeJP	NA	NA
+PJ052532	GSSSCDMY 	C32H48N8O15S2	848.2681	NA	PeJP	NA	NA
+PJ052533	ACCQMMY 	C33H52N8O10S4	848.2689	NA	PeJP	NA	NA
+PJ052534	GCNMMMY 	C33H52N8O10S4	848.269	NA	PeJP	NA	NA
+PJ052535	CCNNQMH 	C30H48N12O11S3	848.2728	NA	PeJP	NA	NA
+PJ052536	CCDHWW 	C38H44N10O9S2	848.2735	NA	PeJP	NA	NA
+PJ052537	SSCDDHW 	C34H44N10O14S	848.276	NA	PeJP	NA	NA
+PJ052538	PTCCCHW 	C35H48N10O9S3	848.2768	NA	PeJP	NA	NA
+PJ052539	NNDDDQE 	C30H44N10O19	848.2784	NA	PeJP	NA	NA
+PJ052540	SSSSDDDH 	C30H44N10O19	848.2785	NA	PeJP	NA	NA
+PJ052541	SNDDMMH 	C31H48N10O14S2	848.2793	NA	PeJP	NA	NA
+PJ052542	ACCCMRY 	C32H52N10O9S4	848.2802	NA	PeJP	NA	NA
+PJ052543	SPDDDDW 	C35H44N8O17	848.2825	NA	PeJP	NA	NA
+PJ052544	SSTCCYW 	C36H48N8O12S2	848.2833	NA	PeJP	NA	NA
+PJ052545	PPCCDEW 	C36H48N8O12S2	848.2834	NA	PeJP	NA	NA
+PJ052546	CCCNNHR 	C29H48N14O10S3	848.284	NA	PeJP	NA	NA
+PJ052547	GGGGCCCHR 	C29H48N14O10S3	848.2841	NA	PeJP	NA	NA
+PJ052548	SSSSSCEY 	C32H48N8O17S	848.2858	NA	PeJP	NA	NA
+PJ052549	PNDDEEM 	C32H48N8O17S	848.2859	NA	PeJP	NA	NA
+PJ052550	SSCQMMY 	C33H52N8O12S3	848.2867	NA	PeJP	NA	NA
+PJ052551	GSNNNNDD 	C29H44N12O18	848.2897	NA	PeJP	NA	NA
+PJ052552	DEEMYY 	C37H48N6O15S	848.2899	NA	PeJP	NA	NA
+PJ052553	SCCDEHR 	C30H48N12O13S2	848.2906	NA	PeJP	NA	NA
+PJ052554	PCCCMHR 	C31H52N12O8S4	848.2914	NA	PeJP	NA	NA
+PJ052555	GNNDDEW 	C34H44N10O16	848.2937	NA	PeJP	NA	NA
+PJ052556	GSCEMHW 	C35H48N10O11S2	848.2946	NA	PeJP	NA	NA
+PJ052557	PCDDDER 	C31H48N10O16S	848.2971	NA	PeJP	NA	NA
+PJ052558	SSCCMRY 	C32H52N10O11S3	848.2979	NA	PeJP	NA	NA
+PJ052559	GNEMMMH 	C32H52N10O11S3	848.298	NA	PeJP	NA	NA
+PJ052560	SCNDHHH 	C32H44N14O12S	848.2984	NA	PeJP	NA	NA
+PJ052561	CCQFYW 	C40H48N8O9S2	848.2986	NA	PeJP	NA	NA
+PJ052562	GPDDEMW 	C36H48N8O14S	848.3011	NA	PeJP	NA	NA
+PJ052563	GCNMMFF 	C37H52N8O9S3	848.302	NA	PeJP	NA	NA
+PJ052564	GQEEEEE 	C32H48N8O19	848.3036	NA	PeJP	NA	NA
+PJ052565	GSSSSMMY 	C33H52N8O14S2	848.3045	NA	PeJP	NA	NA
+PJ052566	PNDDDHH 	C33H44N12O15	848.305	NA	PeJP	NA	NA
+PJ052567	ACCKMMY 	C34H56N8O9S4	848.3053	NA	PeJP	NA	NA
+PJ052568	APPPCCMM 	C34H56N8O9S4	848.3054	NA	PeJP	NA	NA
+PJ052569	SSSSCNQH 	C30H48N12O15S	848.3083	NA	PeJP	NA	NA
+PJ052570	GGGGGGGGGGEM 	C30H48N12O15S	848.3084	NA	PeJP	NA	NA
+PJ052571	EEMMFY 	C38H52N6O12S2	848.3085	NA	PeJP	NA	NA
+PJ052572	NNDDWW 	C38H44N10O13	848.309	NA	PeJP	NA	NA
+PJ052573	GCDMMHR 	C31H52N12O10S3	848.3092	NA	PeJP	NA	NA
+PJ052574	SCMHWW 	C39H48N10O8S2	848.3098	NA	PeJP	NA	NA
+MJ096121	Procerin 	C41H52O19	848.310279	NA	MeJP	NA	NA
+PJ052575	SSSDMHW 	C35H48N10O13S	848.3123	NA	PeJP	NA	NA
+PJ052576	GGGGSPCEW 	C35H48N10O13S	848.3124	NA	PeJP	NA	NA
+PJ052577	NMMMHW 	C36H52N10O8S3	848.3132	NA	PeJP	NA	NA
+PJ052578	ADDDEER 	C31H48N10O18	848.3148	NA	PeJP	NA	NA
+PJ052579	GDDEEER 	C31H48N10O18	848.3149	NA	PeJP	NA	NA
+PJ052580	SSQEMMH 	C32H52N10O13S2	848.3157	NA	PeJP	NA	NA
+PJ052581	SCQYYW 	C40H48N8O11S	848.3163	NA	PeJP	NA	NA
+PJ052582	PDDMWW 	C40H48N8O11S	848.3164	NA	PeJP	NA	NA
+PJ052583	PCCKMMH 	C33H56N10O8S4	848.3166	NA	PeJP	NA	NA
+PJ052584	ACNMHHH 	C33H48N14O9S2	848.317	NA	PeJP	NA	NA
+PJ052585	GCQMHHH 	C33H48N14O9S2	848.3171	NA	PeJP	NA	NA
+PJ052586	SSSNEYY 	C36H48N8O16	848.3188	NA	PeJP	NA	NA
+PJ052587	QEEEEW 	C36H48N8O16	848.3189	NA	PeJP	NA	NA
+PJ052588	CNNNNDR 	C29H48N14O14S	848.3195	NA	PeJP	NA	NA
+PJ052589	GGCNNNDR 	C29H48N14O14S	848.3196	NA	PeJP	NA	NA
+PJ052590	SPPCEMW 	C37H52N8O11S2	848.3197	NA	PeJP	NA	NA
+PJ052591	SSSSSTMY 	C33H52N8O16S	848.3222	NA	PeJP	NA	NA
+PJ052592	PDEYYY 	C41H48N6O14	848.3229	NA	PeJP	NA	NA
+PJ052593	SSCKMMY 	C34H56N8O11S3	848.3231	NA	PeJP	NA	NA
+PJ052594	GNNNNMW 	C34H48N12O12S	848.3236	NA	PeJP	NA	NA
+PJ052595	SNNDDER 	C30H48N12O17	848.3261	NA	PeJP	NA	NA
+PJ052596	SSCEMHR 	C31H52N12O12S2	848.3269	NA	PeJP	NA	NA
+PJ052597	GGPCNDMR 	C31H52N12O12S2	848.327	NA	PeJP	NA	NA
+PJ052598	GSPCNWW 	C39H48N10O10S	848.3276	NA	PeJP	NA	NA
+PJ052599	GCCHHHR 	C32H48N16O8S2	848.3283	NA	PeJP	NA	NA
+MJ096122	Delta sleep-inducing peptide 	C35H48N10O15	848.33006	NA	MeJP	NA	NA
+PJ052600	DDEERW 	C35H48N10O15	848.3301	NA	PeJP	NA	NA
+PJ052601	GSTMMHW 	C36H52N10O10S2	848.331	NA	PeJP	NA	NA
+PJ052602	SPDDEMR 	C32H52N10O15S	848.3335	NA	PeJP	NA	NA
+PJ052603	AEEEWW 	C40H48N8O13	848.3341	NA	PeJP	NA	NA
+PJ052604	PPCDMMR 	C33H56N10O10S3	848.3343	NA	PeJP	NA	NA
+PJ052605	GGGPPCCKM 	C33H56N10O10S3	848.3344	NA	PeJP	NA	NA
+PJ052606	SSNMHHH 	C33H48N14O11S	848.3348	NA	PeJP	NA	NA
+PJ052607	CCKFYW 	C41H52N8O8S2	848.335	NA	PeJP	NA	NA
+PJ052608	GPTEEMW 	C37H52N8O13S	848.3375	NA	PeJP	NA	NA
+PJ052609	GPPMMMW 	C38H56N8O8S3	848.3384	NA	PeJP	NA	NA
+PJ052610	GKEEEEE 	C33H52N8O18	848.34	NA	PeJP	NA	NA
+PJ052611	PVNEEMM 	C34H56N8O13S2	848.3409	NA	PeJP	NA	NA
+PJ052612	GSNDDRW 	C34H48N12O14	848.3413	NA	PeJP	NA	NA
+PJ052613	GGGGGGGGSTW 	C34H48N12O14	848.3414	NA	PeJP	NA	NA
+PJ052614	PEMFYY 	C42H52N6O11S	848.3415	NA	PeJP	NA	NA
+PJ052615	GPCCQRW 	C35H52N12O9S2	848.3422	NA	PeJP	NA	NA
+PJ052616	ACHFWW 	C43H48N10O7S	848.3429	NA	PeJP	NA	NA
+PJ052617	GNNEEMR 	C31H52N12O14S	848.3447	NA	PeJP	NA	NA
+PJ052618	LEMMYY 	C39H56N6O11S2	848.3449	NA	PeJP	NA	NA
+PJ052619	SNQEWW 	C39H48N10O12	848.3453	NA	PeJP	NA	NA
+PJ052620	GGSQEWW 	C39H48N10O12	848.3454	NA	PeJP	NA	NA
+PJ052621	GSMMMHR 	C32H56N12O9S3	848.3456	NA	PeJP	NA	NA
+PJ052622	MMHHFF 	C40H52N10O7S2	848.3462	NA	PeJP	NA	NA
+MJ096123	Dysoxylumin A; 16-Deacyl, 16-(2-hydroxy-3-methylbutanoyl) 	C42H56O18	848.346664	NA	MeJP	NA	NA
+PJ052623	SSTTMHW 	C36H52N10O12S	848.3487	NA	PeJP	NA	NA
+PJ052624	GNFYYW 	C44H48N8O10	848.3494	NA	PeJP	NA	NA
+PJ052625	GTEEEER 	C32H52N10O17	848.3512	NA	PeJP	NA	NA
+PJ052626	GPEEMMR 	C33H56N10O12S2	848.3521	NA	PeJP	NA	NA
+PJ052627	GSSSTHHH 	C33H48N14O13	848.3526	NA	PeJP	NA	NA
+PJ052628	PTEMWW 	C41H52N8O10S	848.3527	NA	PeJP	NA	NA
+PJ052629	GPPDMFW 	C41H52N8O10S	848.3528	NA	PeJP	NA	NA
+PJ052630	PPCCHHR 	C34H52N14O8S2	848.3534	NA	PeJP	NA	NA
+PJ052631	SPTTEEW 	C37H52N8O15	848.3552	NA	PeJP	NA	NA
+PJ052632	KEEEEW 	C37H52N8O15	848.3553	NA	PeJP	NA	NA
+PJ052633	GCNDERR 	C30H52N14O13S	848.3559	NA	PeJP	NA	NA
+PJ052634	GGGCDERR 	C30H52N14O13S	848.356	NA	PeJP	NA	NA
+PJ052635	GPVEMMW 	C38H56N8O10S2	848.3561	NA	PeJP	NA	NA
+PJ052636	GSPEHHW 	C38H48N12O11	848.3566	NA	PeJP	NA	NA
+PJ052637	SPKEEEM 	C34H56N8O15S	848.3586	NA	PeJP	NA	NA
+PJ052638	VEEFYY 	C42H52N6O13	848.3593	NA	PeJP	NA	NA
+PJ052639	PPDKMMM 	C35H60N8O10S3	848.3595	NA	PeJP	NA	NA
+PJ052640	NNEMRW 	C35H52N12O11S	848.36	NA	PeJP	NA	NA
+PJ052641	GSQWWW 	C43H48N10O9	848.3606	NA	PeJP	NA	NA
+PJ052642	SSNQEER 	C31H52N12O16	848.3624	NA	PeJP	NA	NA
+PJ052643	GGSSQEER 	C31H52N12O16	848.3625	NA	PeJP	NA	NA
+PJ052644	SSTMMHR 	C32H56N12O11S2	848.3633	NA	PeJP	NA	NA
+PJ052645	GNNDHHR 	C32H48N16O12	848.3638	NA	PeJP	NA	NA
+PJ052646	AQQMWW 	C40H52N10O9S	848.364	NA	PeJP	NA	NA
+PJ052647	TEEERW 	C36H52N10O14	848.3665	NA	PeJP	NA	NA
+PJ052648	APCNKMW 	C37H56N10O9S2	848.3673	NA	PeJP	NA	NA
+PJ052649	PEMMRW 	C37H56N10O9S2	848.3674	NA	PeJP	NA	NA
+PJ052650	NQQHHW 	C37H48N14O10	848.3678	NA	PeJP	NA	NA
+PJ052651	SSSSTLMH 	C33H56N10O14S	848.3698	NA	PeJP	NA	NA
+PJ052652	GVEEEMR 	C33H56N10O14S	848.3699	NA	PeJP	NA	NA
+PJ052653	SLEEWW 	C41H52N8O12	848.3705	NA	PeJP	NA	NA
+PJ052654	SPPMMMR 	C34H60N10O9S3	848.3707	NA	PeJP	NA	NA
+PJ052655	CNDRRW 	C34H52N14O10S	848.3712	NA	PeJP	NA	NA
+PJ052656	PVMMWW 	C42H56N8O7S2	848.3714	NA	PeJP	NA	NA
+PJ052657	SPHHWW 	C42H48N12O8	848.3718	NA	PeJP	NA	NA
+PJ052658	SSNDDRR 	C30H52N14O15	848.3737	NA	PeJP	NA	NA
+PJ052659	AALEEMW 	C38H56N8O12S	848.3739	NA	PeJP	NA	NA
+PJ052660	PPFYYY 	C46H52N6O10	848.3745	NA	PeJP	NA	NA
+PJ052661	SPCCQRR 	C31H56N14O10S2	848.3746	NA	PeJP	NA	NA
+PJ052662	GNMRWW 	C39H52N12O8S	848.3752	NA	PeJP	NA	NA
+PJ052663	SVKEEEE 	C34H56N8O17	848.3764	NA	PeJP	NA	NA
+PJ052664	PVDKEMM 	C35H60N8O12S2	848.3772	NA	PeJP	NA	NA
+PJ052665	GAPTLEMM 	C35H60N8O12S2	848.3773	NA	PeJP	NA	NA
+PJ052666	GSSQERW 	C35H52N12O13	848.3777	NA	PeJP	NA	NA
+PJ052667	GGGGGGGGGGLF 	C35H52N12O13	848.3778	NA	PeJP	NA	NA
+PJ052668	PLMYYY 	C43H56N6O10S	848.3779	NA	PeJP	NA	NA
+PJ052669	GPCCKRW 	C36H56N12O8S2	848.3786	NA	PeJP	NA	NA
+PJ052670	GPQHHHH 	C36H48N16O9	848.3791	NA	PeJP	NA	NA
+PJ052671	EEEMRR 	C32H56N12O13S	848.3811	NA	PeJP	NA	NA
+PJ052672	SNKEWW 	C40H52N10O11	848.3817	NA	PeJP	NA	NA
+PJ052673	GGGGGPVYW 	C40H52N10O11	848.3818	NA	PeJP	NA	NA
+PJ052674	CCCKKKH 	C33H60N12O8S3	848.382	NA	PeJP	NA	NA
+PJ052675	VEEMRW 	C37H56N10O11S	848.3851	NA	PeJP	NA	NA
+PJ052676	PPTYWW 	C45H52N8O9	848.3858	NA	PeJP	NA	NA
+PJ052677	SSLEEER 	C33H56N10O16	848.3876	NA	PeJP	NA	NA
+PJ052678	SPVEMMR 	C34H60N10O11S2	848.3885	NA	PeJP	NA	NA
+PJ052679	GNNNQFR 	C34H52N14O12	848.3889	NA	PeJP	NA	NA
+PJ052680	GGGNNQFR 	C34H52N14O12	848.389	NA	PeJP	NA	NA
+PJ052681	VVEMWW 	C42H56N8O9S	848.3891	NA	PeJP	NA	NA
+PJ052682	CMHFRR 	C35H56N14O7S2	848.3898	NA	PeJP	NA	NA
+PJ052683	ATTLEEW 	C38H56N8O14	848.3916	NA	PeJP	NA	NA
+PJ052684	GSNEMRR 	C31H56N14O12S	848.3923	NA	PeJP	NA	NA
+PJ052685	APTLMMW 	C39H60N8O9S2	848.3925	NA	PeJP	NA	NA
+PJ052686	SSQRWW 	C39H52N12O10	848.393	NA	PeJP	NA	NA
+PJ052687	ALKEEEM 	C35H60N8O14S	848.395	NA	PeJP	NA	NA
+PJ052688	VLEYYY 	C43H56N6O12	848.3956	NA	PeJP	NA	NA
+PJ052689	PVLQMMM 	C36H64N8O9S3	848.3959	NA	PeJP	NA	NA
+PJ052690	NDKMRW 	C36H56N12O10S	848.3963	NA	PeJP	NA	NA
+PJ052691	GGDKMRW 	C36H56N12O10S	848.3964	NA	PeJP	NA	NA
+PJ052692	GSKWWW 	C44H52N10O8	848.397	NA	PeJP	NA	NA
+PJ052693	SSNKEER 	C32H56N12O15	848.3988	NA	PeJP	NA	NA
+PJ052694	GGSSKEER 	C32H56N12O15	848.3989	NA	PeJP	NA	NA
+PJ052695	GVQQMMR 	C33H60N12O10S2	848.3997	NA	PeJP	NA	NA
+PJ052696	DEHHRR 	C33H52N16O11	848.4002	NA	PeJP	NA	NA
+PJ052697	AQKMWW 	C41H56N10O8S	848.4004	NA	PeJP	NA	NA
+MJ096124	Kapakahine B 	C49H52N8O6	848.400981	NA	MeJP	NA	NA
+PJ052698	GSDKKEW 	C37H56N10O13	848.4029	NA	PeJP	NA	NA
+PJ052699	GSCDRRR 	C30H56N16O11S	848.4036	NA	PeJP	NA	NA
+PJ052700	GPCKKMW 	C38H60N10O8S2	848.4037	NA	PeJP	NA	NA
+PJ052701	VDHHRW 	C38H52N14O9	848.4042	NA	PeJP	NA	NA
+PJ052702	ATLEEMR 	C34H60N10O13S	848.4062	NA	PeJP	NA	NA
+PJ052703	GGAKKEEM 	C34H60N10O13S	848.4063	NA	PeJP	NA	NA
+PJ052704	AAPLEYW 	C42H56N8O11	848.4069	NA	PeJP	NA	NA
+PJ052705	APLMMMR 	C35H64N10O8S3	848.4071	NA	PeJP	NA	NA
+PJ052706	SNMRRW 	C35H56N14O9S	848.4076	NA	PeJP	NA	NA
+PJ052707	ALHHWW 	C43H52N12O7	848.4082	NA	PeJP	NA	NA
+PJ052708	SSSQERR 	C31H56N14O14	848.4101	NA	PeJP	NA	NA
+PJ052709	PTTTLMW 	C39H60N8O11S	848.4102	NA	PeJP	NA	NA
+MJ096125	Annosquamosin A 	C39H60N8O11S	848.410225	NA	MeJP	NA	NA
+MJ096126	Squamin A 	C39H60N8O11S	848.410225	NA	MeJP	NA	NA
+MJ096127	Vioprolide C 	C39H60N8O11S	848.410225	NA	MeJP	NA	NA
+MJ096128	Vioprolide D 	C39H60N8O11S	848.410225	NA	MeJP	NA	NA
+PJ052710	GTLLEMW 	C39H60N8O11S	848.4103	NA	PeJP	NA	NA
+PJ052711	PLFFYY 	C47H56N6O9	848.4109	NA	PeJP	NA	NA
+PJ052712	GAQMMRR 	C32H60N14O9S2	848.411	NA	PeJP	NA	NA
+PJ052713	ACKRWW 	C40H56N12O7S	848.4116	NA	PeJP	NA	NA
+PJ052714	TTLKEEE 	C35H60N8O16	848.4128	NA	PeJP	NA	NA
+PJ052715	PTLKEMM 	C36H64N8O11S2	848.4136	NA	PeJP	NA	NA
+PJ052716	GSSKERW 	C36H56N12O12	848.4141	NA	PeJP	NA	NA
+PJ052717	LLMFYY 	C44H60N6O9S	848.4143	NA	PeJP	NA	NA
+PJ052718	KMMHFR 	C37H60N12O7S2	848.415	NA	PeJP	NA	NA
+PJ052719	GPKHHHH 	C37H52N16O8	848.4155	NA	PeJP	NA	NA
+PJ052720	GTQKEMR 	C33H60N12O12S	848.4175	NA	PeJP	NA	NA
+PJ052721	SDKKWW 	C41H56N10O10	848.4181	NA	PeJP	NA	NA
+PJ052722	QKKEMW 	C38H60N10O10S	848.4215	NA	PeJP	NA	NA
+PJ052723	PVVYWW 	C46H56N8O8	848.4221	NA	PeJP	NA	NA
+PJ052724	GPPVFFW 	C46H56N8O8	848.4222	NA	PeJP	NA	NA
+PJ052725	TTTLEER 	C34H60N10O15	848.424	NA	PeJP	NA	NA
+PJ052726	GLLEMMR 	C35H64N10O10S2	848.4249	NA	PeJP	NA	NA
+PJ052727	GSSTRRW 	C35H56N14O11	848.4253	NA	PeJP	NA	NA
+PJ052728	GGGAEFRR 	C35H56N14O11	848.4254	NA	PeJP	NA	NA
+PJ052729	TLLMWW 	C43H60N8O8S	848.4255	NA	PeJP	NA	NA
+PJ052730	STTLLEW 	C39H60N8O13	848.428	NA	PeJP	NA	NA
+PJ052731	GSDKMRR 	C32H60N14O11S	848.4287	NA	PeJP	NA	NA
+PJ052732	GVLLMMW 	C40H64N8O8S2	848.4289	NA	PeJP	NA	NA
+PJ052733	SSKRWW 	C40H56N12O9	848.4294	NA	PeJP	NA	NA
+PJ052734	SLLKEEM 	C36H64N8O13S	848.4314	NA	PeJP	NA	NA
+PJ052735	PVLKMMM 	C37H68N8O8S3	848.4323	NA	PeJP	NA	NA
+PJ052736	TQKMRW 	C37H60N12O9S	848.4327	NA	PeJP	NA	NA
+PJ052737	PPFFRW 	C45H56N10O7	848.4334	NA	PeJP	NA	NA
+PJ052738	SSDKKER 	C33H60N12O14	848.4352	NA	PeJP	NA	NA
+PJ052739	GVQKMMR 	C34H64N12O9S2	848.4361	NA	PeJP	NA	NA
+PJ052740	GSQKHHR 	C34H56N16O10	848.4366	NA	PeJP	NA	NA
+PJ052741	AKKMWW 	C42H60N10O7S	848.4368	NA	PeJP	NA	NA
+PJ052742	GTTKKEW 	C38H60N10O12	848.4392	NA	PeJP	NA	NA
+PJ052743	GGSTTLKW 	C38H60N10O12	848.4393	NA	PeJP	NA	NA
+PJ052744	GSSMRRR 	C31H60N16O10S	848.4399	NA	PeJP	NA	NA
+PJ052745	LLMMRW 	C39H64N10O7S2	848.4401	NA	PeJP	NA	NA
+PJ052746	GQFRRW 	C39H56N14O8	848.4406	NA	PeJP	NA	NA
+PJ052747	STLLEMR 	C35H64N10O12S	848.4426	NA	PeJP	NA	NA
+PJ052748	GPTLLYW 	C43H60N8O10	848.4433	NA	PeJP	NA	NA
+PJ052749	TCKRRW 	C36H60N14O8S	848.444	NA	PeJP	NA	NA
+PJ052750	SSSKERR 	C32H60N14O13	848.4465	NA	PeJP	NA	NA
+PJ052751	SSLLLMW 	C40H64N8O10S	848.4466	NA	PeJP	NA	NA
+PJ052752	GGPVLLMY 	C40H64N8O10S	848.4467	NA	PeJP	NA	NA
+PJ052753	LLFFFY 	C48H60N6O8	848.4473	NA	PeJP	NA	NA
+PJ052754	SSSTLLLE 	C36H64N8O15	848.4491	NA	PeJP	NA	NA
+PJ052755	VVLKEMM 	C37H68N8O10S2	848.45	NA	PeJP	NA	NA
+PJ052756	GTTTKRW 	C37H60N12O11	848.4505	NA	PeJP	NA	NA
+PJ052757	PHHFRR 	C38H56N16O7	848.4518	NA	PeJP	NA	NA
+PJ052758	SSLQKMR 	C34H64N12O11S	848.4538	NA	PeJP	NA	NA
+PJ052759	GTKKEMR 	C34H64N12O11S	848.4539	NA	PeJP	NA	NA
+PJ052760	TTKKWW 	C42H60N10O9	848.4545	NA	PeJP	NA	NA
+PJ052761	LMHHRR 	C35H60N16O7S	848.4552	NA	PeJP	NA	NA
+MJ096129	Cryptoporic acid G; 5'''-Me ester 	C45H68O15	848.455821	NA	MeJP	NA	NA
+PJ052762	SSSTRRR 	C31H60N16O12	848.4577	NA	PeJP	NA	NA
+PJ052763	KKKEMW 	C39H64N10O9S	848.4579	NA	PeJP	NA	NA
+PJ052764	VVLFWW 	C47H60N8O7	848.4585	NA	PeJP	NA	NA
+PJ052765	CKMRRR 	C32H64N16O7S2	848.4586	NA	PeJP	NA	NA
+PJ052766	STKKKEE 	C35H64N10O14	848.4604	NA	PeJP	NA	NA
+PJ052767	SVLLMMR 	C36H68N10O9S2	848.4612	NA	PeJP	NA	NA
+PJ052768	TCLLLMR 	C36H68N10O9S2	848.4613	NA	PeJP	NA	NA
+PJ052769	VQQRRY 	C36H60N14O10	848.4617	NA	PeJP	NA	NA
+PJ052770	SPLLKEY 	C40H64N8O12	848.4644	NA	PeJP	NA	NA
+3899	temporin L	FVQWFSKFLGRILG	848.46495	MH2+	Inhouse_peptide	NA	peptide
+PJ052771	GTTKMRR 	C33H64N14O10S	848.4651	NA	PeJP	NA	NA
+PJ052772	VNKFRW 	C41H60N12O8	848.4657	NA	PeJP	NA	NA
+PJ052773	GGVKFRW 	C41H60N12O8	848.4658	NA	PeJP	NA	NA
+PJ052774	GTTTLLLM 	C37H68N8O12S	848.4678	NA	PeJP	NA	NA
+PJ052775	TKKMRW 	C38H64N12O8S	848.4691	NA	PeJP	NA	NA
+PJ052776	STTKKER 	C34H64N12O13	848.4716	NA	PeJP	NA	NA
+PJ052777	GVKKMMR 	C35H68N12O8S2	848.4725	NA	PeJP	NA	NA
+PJ052778	AQRRRY 	C35H60N16O9	848.473	NA	PeJP	NA	NA
+PJ052779	SSTLKKW 	C39H64N10O11	848.4756	NA	PeJP	NA	NA
+PJ052780	GGGAALLKY 	C39H64N10O11	848.4757	NA	PeJP	NA	NA
+PJ052781	GKFRRW 	C40H60N14O7	848.477	NA	PeJP	NA	NA
+PJ052782	SVKKKEM 	C36H68N10O11S	848.479	NA	PeJP	NA	NA
+PJ052783	AALLLYW 	C44H64N8O9	848.4797	NA	PeJP	NA	NA
+PJ052784	STTTKRR 	C33H64N14O12	848.4828	NA	PeJP	NA	NA
+PJ052785	PVVLKMY 	C41H68N8O9S	848.483	NA	PeJP	NA	NA
+PJ052786	KKMMRR 	C34H68N14O7S2	848.4837	NA	PeJP	NA	NA
+PJ052787	PQHRRR 	C34H60N18O8	848.4842	NA	PeJP	NA	NA
+PJ052788	STTTTLLL 	C37H68N8O14	848.4855	NA	PeJP	NA	NA
+PJ052789	TLLLKMM 	C38H72N8O9S2	848.4864	NA	PeJP	NA	NA
+PJ052790	LLERRY 	C38H64N12O10	848.4869	NA	PeJP	NA	NA
+PJ052791	SSLKKMR 	C35H68N12O10S	848.4902	NA	PeJP	NA	NA
+PJ052792	GGTCKKKK 	C35H68N12O10S	848.4903	NA	PeJP	NA	NA
+PJ052793	VLLRYW 	C43H64N10O8	848.4909	NA	PeJP	NA	NA
+MJ096130	12-Oleanene-3,16,21,22,23,28-hexol, 22-Tigloyl, 21-O-(2-methylbutanoyl), 3-O-?-D-glucuronopyranoside 	C46H72O14	848.492207	NA	MeJP	NA	NA
+MJ096131	Tartrolone A1 	C46H72O14	848.492207	NA	MeJP	NA	NA
+PJ052794	GLLLMFR 	C40H68N10O8S	848.4943	NA	PeJP	NA	NA
+PJ052795	SSSSLLKK 	C36H68N10O13	848.4968	NA	PeJP	NA	NA
+PJ052796	ALKKKMM 	C37H72N10O8S2	848.4976	NA	PeJP	NA	NA
+PJ052797	VQKRRY 	C37H64N14O9	848.4981	NA	PeJP	NA	NA
+PJ052798	ALLLKEY 	C41H68N8O11	848.5008	NA	PeJP	NA	NA
+PJ052799	GSSSKKKK 	C35H68N12O12	848.508	NA	PeJP	NA	NA
+PJ052800	AKRRRY 	C36H64N16O8	848.5093	NA	PeJP	NA	NA
+PJ052801	APPPRRR 	C36H64N16O8	848.5094	NA	PeJP	NA	NA
+PJ052802	ATLLLRY 	C40H68N10O10	848.512	NA	PeJP	NA	NA
+MJ096132	5,9,13-Trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-eicosatrienoic acid, 13-O-(6-O-Acetyl-?-D-mannopyranoside), D-mannitol-1-yl ester 	C43H76O16	848.513336	NA	MeJP	NA	NA
+PJ052803	TTLKKKM 	C37H72N10O10S	848.5154	NA	PeJP	NA	NA
+PJ052804	PVVLKFF 	C45H68N8O8	848.5161	NA	PeJP	NA	NA
+PJ052805	VVLLKMF 	C42H72N8O8S	848.5194	NA	PeJP	NA	NA
+PJ052806	PKHRRR 	C35H64N18O7	848.5206	NA	PeJP	NA	NA
+PJ052807	AALKKRY 	C39H68N12O9	848.5233	NA	PeJP	NA	NA
+PJ052808	SCKKKKK 	C36H72N12O9S	848.5266	NA	PeJP	NA	NA
+PJ052809	LKKKFW 	C44H68N10O7	848.5273	NA	PeJP	NA	NA
+MJ096133	Moyukamycin 	C47H76O13	848.528592	NA	MeJP	NA	NA
+PJ052810	VKKRRY 	C38H68N14O8	848.5345	NA	PeJP	NA	NA
+PJ052811	SLLLLKY 	C42H72N8O10	848.5372	NA	PeJP	NA	NA
+PJ052812	GLLKKKY 	C41H72N10O9	848.5484	NA	PeJP	NA	NA
+PJ052813	VVLLLHR 	C40H72N12O8	848.5597	NA	PeJP	NA	NA
+MJ096134	Antibiotic A 130C 	C48H80O12	848.564978	NA	MeJP	NA	NA
+PJ052814	APPLLLLL 	C43H76N8O9	848.5736	NA	PeJP	NA	NA
+PJ052815	LLLLLKH 	C42H76N10O8	848.5848	NA	PeJP	NA	NA
+HMDB06484	2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone	C58H88O4	848.66827	http://www.hmdb.ca/metabolites/HMDB06484	HMDB	NA	NA
+HMDB06484	2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone	C58H88O4	848.66827	HMDB06484	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06484	2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone	C58H88O4	848.668274	NA	HMDB2010	NA	NA
+HMDB10517	TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6]	C55H92O6	848.689392	NA	HMDB2010	NA	NA
+EUR1148	SM(d18:0/22:0) [M-H+acetate]-	C45H93N2O6P	848.698226	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1148	SM(d18:0/22:0) [M-H+acetate]-	C45H93N2O6P	848.698226	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1148	SM(d18:0/22:0) [M-H+acetate]-	C45H93N2O6P	848.698226	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1148	SM(d18:0/22:0) [M-H+acetate]-	C45H93N2O6P	848.698226	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096135	Bistheonellasterone 	C60H96O2	848.741032	NA	MeJP	NA	NA
+MJ096136	Iosimide 	C21H30I3N3O9	848.911609	NA	MeJP	NA	NA
+7856	NA	YGGFLRRQQFKVVT	848.96	MH2+	Inhouse_peptide	NA	peptide
+C04739	UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine	C23H38N3O25P3	849.1007	NA	KEGG	NA	NA
+C04740	alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-	C42H73N2O21R	849.1007	NA	KEGG	NA	NA
+MetaCyc04180	UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine []	C23H38N3O25P3	849.100723	NA	metacyc	NA	NA
+HMDB01493	3-Methylcrotonyl-CoA	C26H42N7O17P3S	849.15704	http://www.hmdb.ca/metabolites/HMDB01493	HMDB	NA	NA
+HMDB02054	Tiglyl-CoA	C26H42N7O17P3S	849.15704	http://www.hmdb.ca/metabolites/HMDB02054	HMDB	NA	NA
+HMDB01493	3-Methylcrotonyl-CoA	C26H42N7O17P3S	849.15704	HMDB01493	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02054	Tiglyl-CoA	C26H42N7O17P3S	849.15704	HMDB02054	PFEM_hmdb_metabocards_official	NA	NA
+MJ096137	2-Methylbut-2-enoyl-CoA 	C26H42N7O17P3S	849.157073	NA	MeJP	NA	NA
+MJ096138	3-Methylcrotonoyl-CoA 	C26H42N7O17P3S	849.157073	NA	MeJP	NA	NA
+MetaCyc04181	tiglyl-CoA [2-methylbut-2-enoyl-CoA;trans-2-methylbut-2-enoyl-CoA;tigloyl-CoA;tiglyl-CoA;methylcrotonyl-CoA;]	C26H42N7O17P3S1	849.157073	6247-62-7	metacyc	NA	NA
+MetaCyc04182	2-methylcrotonoyl-CoA [2-Methylbut-2-enoyl-CoA;trans-2-Methylbut-2-enoyl-CoA;(E)-2-Methylcrotonoyl-CoA;methylcrotonoyl-CoA;tigloyl-CoA;]	C26H42N7O17P3S1	849.157073	NA	metacyc	NA	NA
+MetaCyc04183	3-methylcrotonyl-CoA [&beta;-methylcrotonoyl-CoA;3-methylbut-2-enoyl-CoA;]	C26H42N7O17P3S1	849.157073	NA	metacyc	NA	NA
+C02451	Pent-2-enoyl-CoA	C26H42N7O17P3S	849.1571	NA	KEGG	NA	NA
+C03069	3-Methylcrotonyl-CoA	C26H42N7O17P3S	849.1571	NA	KEGG	NA	NA
+C03345	2-Methylbut-2-enoyl-CoA	C26H42N7O17P3S	849.1571	NA	KEGG	NA	NA
+C03466	3-Methyl-vinylacetyl-CoA	C26H42N7O17P3S	849.1571	NA	KEGG	NA	NA
+HMDB01493	3-Methylcrotonyl-CoA	C26H42N7O17P3S	849.157104	NA	HMDB2010	NA	NA
+HMDB02054	Tiglyl-CoA	C26H42N7O17P3S	849.157104	NA	HMDB2010	NA	NA
+PJ052816	SCCCCCND 	C26H43N9O13S5	849.1584	NA	PeJP	NA	NA
+PJ052817	GCCCCCQM 	C27H47N9O10S6	849.1771	NA	PeJP	NA	NA
+PJ052818	GCCCCCCR 	C26H47N11O9S6	849.1883	NA	PeJP	NA	NA
+PJ052819	SSCCCCNM 	C27H47N9O12S5	849.1948	NA	PeJP	NA	NA
+PJ052820	CCCDDEY 	C31H43N7O15S3	849.198	NA	PeJP	NA	NA
+PJ052821	CCCEMMM 	C29H51N7O10S6	849.2022	NA	PeJP	NA	NA
+PJ052822	GSSSTCCCC 	C27H47N9O14S4	849.2126	NA	PeJP	NA	NA
+PJ052823	GCCCCCKM 	C28H51N9O9S6	849.2134	NA	PeJP	NA	NA
+PJ052824	CCCDEMF 	C32H47N7O12S4	849.2166	NA	PeJP	NA	NA
+PJ052825	CDDDDMH 	C30H43N9O16S2	849.227	NA	PeJP	NA	NA
+PJ052826	CCCNNMY 	C31H47N9O11S4	849.2278	NA	PeJP	NA	NA
+PJ052827	SSSSSSCCC 	C27H47N9O16S3	849.2303	NA	PeJP	NA	NA
+PJ052828	STCCCCCK 	C28H51N9O11S5	849.2312	NA	PeJP	NA	NA
+PJ052829	SCCDEMY 	C32H47N7O14S3	849.2343	NA	PeJP	NA	NA
+PJ052830	PCCCMMY 	C33H51N7O9S5	849.2352	NA	PeJP	NA	NA
+PJ052831	GSCCNDDH 	C29H43N11O15S2	849.2382	NA	PeJP	NA	NA
+PJ052832	TCCMMMM 	C30H55N7O9S6	849.2386	NA	PeJP	NA	NA
+PJ052833	GPCCCCQH 	C30H47N11O10S4	849.2391	NA	PeJP	NA	NA
+PJ052834	GPCNDDDD 	C30H43N9O18S	849.2447	NA	PeJP	NA	NA
+PJ052835	GSSCCCQY 	C31H47N9O13S3	849.2456	NA	PeJP	NA	NA
+PJ052836	GCDDDYY 	C35H43N7O16S	849.2487	NA	PeJP	NA	NA
+PJ052837	PCCCDFY 	C36H47N7O11S3	849.2496	NA	PeJP	NA	NA
+PJ052838	GCDMMMY 	C33H51N7O11S4	849.253	NA	PeJP	NA	NA
+PJ052839	CCNNEMH 	C30H47N11O12S3	849.2568	NA	PeJP	NA	NA
+PJ052840	CCCNNFF 	C35H47N9O10S3	849.2608	NA	PeJP	NA	NA
+PJ052841	GGGGCCCFF 	C35H47N9O10S3	849.2609	NA	PeJP	NA	NA
+PJ052842	NNDDDEE 	C30H43N9O20	849.2625	NA	PeJP	NA	NA
+PJ052843	SSSSCCNY 	C31H47N9O15S2	849.2633	NA	PeJP	NA	NA
+PJ052844	GGSPPCCDD 	C31H47N9O15S2	849.2634	NA	PeJP	NA	NA
+PJ052845	CCCCQKY 	C32H51N9O10S4	849.2642	NA	PeJP	NA	NA
+PJ052846	SPCCDYY 	C36H47N7O13S2	849.2673	NA	PeJP	NA	NA
+PJ052847	GCDDMFY 	C36H47N7O13S2	849.2674	NA	PeJP	NA	NA
+PJ052848	CCCNDHR 	C29H47N13O11S3	849.268	NA	PeJP	NA	NA
+PJ052849	GGCCCDHR 	C29H47N13O11S3	849.2681	NA	PeJP	NA	NA
+PJ052850	PCCCMFF 	C37H51N7O8S4	849.2682	NA	PeJP	NA	NA
+PJ052851	PDDDEEM 	C32H47N7O18S	849.2699	NA	PeJP	NA	NA
+PJ052852	SSCEMMY 	C33H51N7O13S3	849.2707	NA	PeJP	NA	NA
+PJ052853	GCMMMMF 	C34H55N7O8S5	849.2716	NA	PeJP	NA	NA
+PJ052854	GCCNMHW 	C34H47N11O9S3	849.2721	NA	PeJP	NA	NA
+PJ052855	GSNNNDDD 	C29H43N11O19	849.2737	NA	PeJP	NA	NA
+PJ052856	GSSCNDMH 	C30H47N11O14S2	849.2746	NA	PeJP	NA	NA
+PJ052857	GPCCCCKH 	C31H51N11O9S4	849.2755	NA	PeJP	NA	NA
+PJ052858	GNDDDEW 	C34H43N9O17	849.2777	NA	PeJP	NA	NA
+PJ052859	GCCNQYY 	C35H47N9O12S2	849.2786	NA	PeJP	NA	NA
+PJ052860	GSPNDDDM 	C31H47N9O17S	849.2811	NA	PeJP	NA	NA
+PJ052861	GSSCCCKY 	C32H51N9O12S3	849.282	NA	PeJP	NA	NA
+PJ052862	SCDDHHH 	C32H43N13O13S	849.2824	NA	PeJP	NA	NA
+PJ052863	CCEFYW 	C40H47N7O10S2	849.2826	NA	PeJP	NA	NA
+PJ052864	GSDDMYY 	C36H47N7O15S	849.2851	NA	PeJP	NA	NA
+PJ052865	APCCMYY 	C37H51N7O10S3	849.286	NA	PeJP	NA	NA
+PJ052866	GEEEEEE 	C32H47N7O20	849.2876	NA	PeJP	NA	NA
+PJ052867	PDDDDHH 	C33H43N11O16	849.289	NA	PeJP	NA	NA
+PJ052868	ATCMMMY 	C34H55N7O10S4	849.2893	NA	PeJP	NA	NA
+PJ052869	GSMMMMY 	C34H55N7O10S4	849.2894	NA	PeJP	NA	NA
+PJ052870	SSCCQHW 	C34H47N11O11S2	849.2898	NA	PeJP	NA	NA
+PJ052871	GGGGGGPCCW 	C34H47N11O11S2	849.2899	NA	PeJP	NA	NA
+PJ052872	SSSSCNEH 	C30H47N11O16S	849.2923	NA	PeJP	NA	NA
+PJ052873	GGGGGGNDEM 	C30H47N11O16S	849.2924	NA	PeJP	NA	NA
+PJ052874	NDDDWW 	C38H43N9O14	849.293	NA	PeJP	NA	NA
+PJ052875	GPPCCCDR 	C31H51N11O11S3	849.2932	NA	PeJP	NA	NA
+PJ052876	SPCNDEW 	C35H47N9O14S	849.2963	NA	PeJP	NA	NA
+PJ052877	GGSPCDEW 	C35H47N9O14S	849.2964	NA	PeJP	NA	NA
+PJ052878	DMMMHW 	C36H51N9O9S3	849.2972	NA	PeJP	NA	NA
+PJ052879	SNNEEEE 	C31H47N9O19	849.2988	NA	PeJP	NA	NA
+PJ052880	GGSNEEEE 	C31H47N9O19	849.2989	NA	PeJP	NA	NA
+PJ052881	SSEEMMH 	C32H51N9O14S2	849.2997	NA	PeJP	NA	NA
+PJ052882	SCEYYW 	C40H47N7O12S	849.3004	NA	PeJP	NA	NA
+PJ052883	CCCCKKY 	C33H55N9O9S4	849.3006	NA	PeJP	NA	NA
+PJ052884	GCEMHHH 	C33H47N13O10S2	849.3011	NA	PeJP	NA	NA
+PJ052885	EEEEEW 	C36H47N7O17	849.3029	NA	PeJP	NA	NA
+PJ052886	CNNNDDR 	C29H47N13O15S	849.3036	NA	PeJP	NA	NA
+PJ052887	NEMMYY 	C37H51N7O12S2	849.3037	NA	PeJP	NA	NA
+PJ052888	SCCNMHR 	C30H51N13O10S3	849.3044	NA	PeJP	NA	NA
+PJ052889	GCCHHFF 	C38H47N11O8S2	849.3051	NA	PeJP	NA	NA
+MJ096139	Perdeacyleuojaponin; 9-(2-Acetoxy-2-methylpropanoyl), 1,6,8,14-tetra-Ac 	C40H51NO19	849.305528	NA	MeJP	NA	NA
+PJ052890	SPEEEEM 	C33H51N7O17S	849.3062	NA	PeJP	NA	NA
+PJ052891	PTDEEEM 	C33H51N7O17S	849.3063	NA	PeJP	NA	NA
+PJ052892	SSTMMMY 	C34H55N7O12S3	849.3071	NA	PeJP	NA	NA
+PJ052893	GSSSSCHW 	C34H47N11O13S	849.3076	NA	PeJP	NA	NA
+PJ052894	ACCCKHW 	C35H51N11O8S3	849.3085	NA	PeJP	NA	NA
+PJ052895	SNDDDER 	C30H47N11O18	849.3101	NA	PeJP	NA	NA
+PJ052896	PCNDDMR 	C31H51N11O13S2	849.311	NA	PeJP	NA	NA
+PJ052897	GSPCDWW 	C39H47N9O11S	849.3116	NA	PeJP	NA	NA
+PJ052898	GSNEEEW 	C35H47N9O16	849.3141	NA	PeJP	NA	NA
+PJ052899	GPNDMMW 	C36H51N9O11S2	849.315	NA	PeJP	NA	NA
+PJ052900	CMHHHW 	C37H47N13O7S2	849.3163	NA	PeJP	NA	NA
+PJ052901	GQQEEEM 	C32H51N9O16S	849.3175	NA	PeJP	NA	NA
+PJ052902	NDEFYY 	C40H47N7O14	849.3181	NA	PeJP	NA	NA
+PJ052903	ATEMMMH 	C33H55N9O11S3	849.3183	NA	PeJP	NA	NA
+PJ052904	VTCEMMH 	C33H55N9O11S3	849.3184	NA	PeJP	NA	NA
+PJ052905	SSDMHHH 	C33H47N13O12S	849.3188	NA	PeJP	NA	NA
+PJ052906	GMMYYW 	C41H51N7O9S2	849.319	NA	PeJP	NA	NA
+PJ052907	SSSNNNNN 	C29H47N13O17	849.3213	NA	PeJP	NA	NA
+PJ052908	GGGGGGGGGGSSS 	C29H47N13O17	849.3214	NA	PeJP	NA	NA
+PJ052909	GSTEMYY 	C37H51N7O14S	849.3215	NA	PeJP	NA	NA
+PJ052910	GSSTCCHR 	C30H51N13O12S2	849.3222	NA	PeJP	NA	NA
+PJ052911	QMMMFY 	C38H55N7O9S3	849.3224	NA	PeJP	NA	NA
+PJ052912	CNNQWW 	C38H47N11O10S	849.3228	NA	PeJP	NA	NA
+PJ052913	GGGGCQWW 	C38H47N11O10S	849.3229	NA	PeJP	NA	NA
+PJ052914	SVEEEEE 	C33H51N7O19	849.324	NA	PeJP	NA	NA
+PJ052915	PVDEEMM 	C34H55N7O14S2	849.3249	NA	PeJP	NA	NA
+PJ052916	SSNNNEW 	C34H47N11O15	849.3253	NA	PeJP	NA	NA
+PJ052917	GSDDDRW 	C34H47N11O15	849.3254	NA	PeJP	NA	NA
+PJ052918	GPCCERW 	C35H51N11O10S2	849.3262	NA	PeJP	NA	NA
+PJ052919	GNDEEMR 	C31H51N11O15S	849.3287	NA	PeJP	NA	NA
+PJ052920	NNNYYY 	C39H47N9O13	849.3293	NA	PeJP	NA	NA
+PJ052921	SNEEWW 	C39H47N9O13	849.3294	NA	PeJP	NA	NA
+PJ052922	GSPPCCMR 	C32H55N11O10S3	849.3296	NA	PeJP	NA	NA
+PJ052923	PCQMWW 	C40H51N9O8S2	849.3302	NA	PeJP	NA	NA
+PJ052924	QQEEMW 	C36H51N9O13S	849.3327	NA	PeJP	NA	NA
+PJ052925	GGAAEEMW 	C36H51N9O13S	849.3328	NA	PeJP	NA	NA
+PJ052926	GDFYYW 	C44H47N7O11	849.3334	NA	PeJP	NA	NA
+PJ052927	CMMFRY 	C37H55N9O8S3	849.3336	NA	PeJP	NA	NA
+PJ052928	GPCNHHW 	C37H47N13O9S	849.3341	NA	PeJP	NA	NA
+PJ052929	SNDKEEE 	C32H51N9O18	849.3352	NA	PeJP	NA	NA
+PJ052930	GGSDKEEE 	C32H51N9O18	849.3353	NA	PeJP	NA	NA
+PJ052931	TTTEMMH 	C33H55N9O13S2	849.3361	NA	PeJP	NA	NA
+PJ052932	NNNNNNF 	C33H47N13O14	849.3366	NA	PeJP	NA	NA
+PJ052933	STMYYW 	C41H51N7O11S	849.3367	NA	PeJP	NA	NA
+PJ052934	GGPMYYY 	C41H51N7O11S	849.3368	NA	PeJP	NA	NA
+PJ052935	GLMMMMH 	C34H59N9O8S4	849.337	NA	PeJP	NA	NA
+PJ052936	ACCNHFR 	C34H51N13O9S2	849.3374	NA	PeJP	NA	NA
+PJ052937	GCCQHFR 	C34H51N13O9S2	849.3375	NA	PeJP	NA	NA
+PJ052938	SSTTEYY 	C37H51N7O16	849.3392	NA	PeJP	NA	NA
+PJ052939	SPPEEEY 	C37H51N7O16	849.3393	NA	PeJP	NA	NA
+PJ052940	SSSSSCHR 	C30H51N13O14S	849.3399	NA	PeJP	NA	NA
+PJ052941	GCDDERR 	C30H51N13O14S	849.34	NA	PeJP	NA	NA
+PJ052942	DKMMYY 	C38H55N7O11S2	849.3401	NA	PeJP	NA	NA
+PJ052943	GSSNNWW 	C38H47N11O12	849.3406	NA	PeJP	NA	NA
+PJ052944	TCCCKHR 	C31H55N13O9S3	849.3408	NA	PeJP	NA	NA
+PJ052945	PCCRWW 	C39H51N11O7S2	849.3415	NA	PeJP	NA	NA
+PJ052946	ALEEEEM 	C34H55N7O16S	849.3426	NA	PeJP	NA	NA
+PJ052947	NDEMRW 	C35H51N11O12S	849.344	NA	PeJP	NA	NA
+PJ052948	GSEWWW 	C43H47N9O10	849.3446	NA	PeJP	NA	NA
+PJ052949	SSNEEER 	C31H51N11O17	849.3465	NA	PeJP	NA	NA
+PJ052950	SPNDMMR 	C32H55N11O12S2	849.3473	NA	PeJP	NA	NA
+PJ052951	GGSPDMMR 	C32H55N11O12S2	849.3474	NA	PeJP	NA	NA
+PJ052952	GNDDHHR 	C32H47N15O13	849.3478	NA	PeJP	NA	NA
+PJ052953	AQEMWW 	C40H51N9O10S	849.348	NA	PeJP	NA	NA
+PJ052954	GSDKEEW 	C36H51N9O15	849.3505	NA	PeJP	NA	NA
+PJ052955	GPTQMMW 	C37H55N9O10S2	849.3514	NA	PeJP	NA	NA
+PJ052956	NQEHHW 	C37H47N13O11	849.3518	NA	PeJP	NA	NA
+PJ052957	GGGAEHHW 	C37H47N13O11	849.3519	NA	PeJP	NA	NA
+PJ052958	GMFFYW 	C45H51N7O8S	849.352	NA	PeJP	NA	NA
+PJ052959	GQKEEEM 	C33H55N9O15S	849.3539	NA	PeJP	NA	NA
+PJ052960	VNEYYY 	C41H51N7O13	849.3545	NA	PeJP	NA	NA
+PJ052961	STLMMMH 	C34H59N9O10S3	849.3547	NA	PeJP	NA	NA
+PJ052962	GGGGPLMMM 	C34H59N9O10S3	849.3548	NA	PeJP	NA	NA
+PJ052963	CDDRRW 	C34H51N13O11S	849.3552	NA	PeJP	NA	NA
+PJ052964	QMMFFF 	C42H55N7O8S2	849.3554	NA	PeJP	NA	NA
+3736	NA	YPFGFYG	849.356	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ052965	SSDDDRR 	C30H51N13O16	849.3577	NA	PeJP	NA	NA
+PJ052966	SSSLMYY 	C38H55N7O13S	849.3579	NA	PeJP	NA	NA
+PJ052967	SPCCERR 	C31H55N13O11S2	849.3586	NA	PeJP	NA	NA
+PJ052968	KMMMFY 	C39H59N7O8S3	849.3588	NA	PeJP	NA	NA
+PJ052969	GDMRWW 	C39H51N11O9S	849.3592	NA	PeJP	NA	NA
+PJ052970	SWWWW 	C47H47N9O7	849.3599	NA	PeJP	NA	NA
+PJ052971	TTLEEEE 	C34H55N7O18	849.3604	NA	PeJP	NA	NA
+PJ052972	PTLEEMM 	C35H59N7O13S2	849.3613	NA	PeJP	NA	NA
+PJ052973	GSSEERW 	C35H51N11O14	849.3617	NA	PeJP	NA	NA
+PJ052974	GGGGGGGAPTY 	C35H51N11O14	849.3618	NA	PeJP	NA	NA
+PJ052975	PPLMMMM 	C36H63N7O8S4	849.3621	NA	PeJP	NA	NA
+PJ052976	GPTCMRW 	C36H55N11O9S2	849.3626	NA	PeJP	NA	NA
+PJ052977	GPEHHHH 	C36H47N15O10	849.3631	NA	PeJP	NA	NA
+PJ052978	AAMWWW 	C44H51N9O7S	849.3632	NA	PeJP	NA	NA
+PJ052979	GCLWWW 	C44H51N9O7S	849.3633	NA	PeJP	NA	NA
+PJ052980	GTQEEMR 	C32H55N11O14S	849.3651	NA	PeJP	NA	NA
+PJ052981	TTQEWW 	C40H51N9O12	849.3657	NA	PeJP	NA	NA
+PJ052982	SDKEWW 	C40H51N9O12	849.3658	NA	PeJP	NA	NA
+PJ052983	GPQMMMR 	C33H59N11O9S3	849.366	NA	PeJP	NA	NA
+PJ052984	SPCNHHR 	C33H51N15O10S	849.3664	NA	PeJP	NA	NA
+PJ052985	GGSPCHHR 	C33H51N15O10S	849.3665	NA	PeJP	NA	NA
+PJ052986	PCKMWW 	C41H55N9O7S2	849.3666	NA	PeJP	NA	NA
+PJ052987	GQHHWW 	C41H47N13O8	849.3671	NA	PeJP	NA	NA
+PJ052988	QKEEMW 	C37H55N9O12S	849.3691	NA	PeJP	NA	NA
+PJ052989	GVYYYW 	C45H51N7O10	849.3698	NA	PeJP	NA	NA
+PJ052990	AAMHHHF 	C38H51N13O8S	849.3705	NA	PeJP	NA	NA
+PJ052991	STQKEEE 	C33H55N9O17	849.3716	NA	PeJP	NA	NA
+PJ052992	SPQKEMM 	C34H59N9O12S2	849.3725	NA	PeJP	NA	NA
+PJ052993	SSSNNRW 	C34H51N13O13	849.373	NA	PeJP	NA	NA
+PJ052994	VQMFYY 	C42H55N7O10S	849.3731	NA	PeJP	NA	NA
+PJ052995	PPPDMFF 	C42H55N7O10S	849.3732	NA	PeJP	NA	NA
+PJ052996	GCCKHFR 	C35H55N13O8S2	849.3738	NA	PeJP	NA	NA
+PJ052997	TTTTTYY 	C38H55N7O15	849.3756	NA	PeJP	NA	NA
+PJ052998	APLEEEY 	C38H55N7O15	849.3757	NA	PeJP	NA	NA
+PJ052999	GSDEMRR 	C31H55N13O13S	849.3763	NA	PeJP	NA	NA
+PJ053000	GGGGGGTTMR 	C31H55N13O13S	849.3764	NA	PeJP	NA	NA
+PJ053001	PPVEMMF 	C39H59N7O10S2	849.3765	NA	PeJP	NA	NA
+PJ053002	SSERWW 	C39H51N11O11	849.377	NA	PeJP	NA	NA
+PJ053003	GPCMMRR 	C32H59N13O8S3	849.3772	NA	PeJP	NA	NA
+PJ053004	PHHHHW 	C40H47N15O7	849.3783	NA	PeJP	NA	NA
+PJ053005	SLLEEEM 	C35H59N7O15S	849.379	NA	PeJP	NA	NA
+PJ053006	PVLEMMM 	C36H63N7O10S3	849.3799	NA	PeJP	NA	NA
+PJ053007	TQEMRW 	C36H55N11O11S	849.3804	NA	PeJP	NA	NA
+PJ053008	ATTWWW 	C44H51N9O9	849.381	NA	PeJP	NA	NA
+PJ053009	STTQEER 	C32H55N11O16	849.3828	NA	PeJP	NA	NA
+PJ053010	SSDKEER 	C32H55N11O16	849.3829	NA	PeJP	NA	NA
+PJ053011	GVQEMMR 	C33H59N11O11S2	849.3837	NA	PeJP	NA	NA
+PJ053012	GGGGGGVKMM 	C33H59N11O11S2	849.3838	NA	PeJP	NA	NA
+PJ053013	GSQEHHR 	C33H51N15O12	849.3842	NA	PeJP	NA	NA
+PJ053014	AKEMWW 	C41H55N9O9S	849.3844	NA	PeJP	NA	NA
+PJ053015	GFFFFW 	C49H51N7O7	849.385	NA	PeJP	NA	NA
+PJ053016	GTTKEEW 	C37H55N9O14	849.3869	NA	PeJP	NA	NA
+PJ053017	SSCNQRR 	C30H55N15O12S	849.3876	NA	PeJP	NA	NA
+PJ053018	GPTKMMW 	C38H59N9O9S2	849.3877	NA	PeJP	NA	NA
+PJ053019	ASPKMMW 	C38H59N9O9S2	849.3878	NA	PeJP	NA	NA
+PJ053020	NNNFRW 	C38H51N13O10	849.3882	NA	PeJP	NA	NA
+PJ053021	TTLQQEM 	C34H59N9O14S	849.3902	NA	PeJP	NA	NA
+PJ053022	GKKEEEM 	C34H59N9O14S	849.3903	NA	PeJP	NA	NA
+PJ053023	VDKYYY 	C42H55N7O12	849.3909	NA	PeJP	NA	NA
+PJ053024	PVNKMMM 	C35H63N9O9S3	849.3911	NA	PeJP	NA	NA
+PJ053025	SDMRRW 	C35H55N13O10S	849.3916	NA	PeJP	NA	NA
+PJ053026	KMMFFF 	C43H59N7O7S2	849.3918	NA	PeJP	NA	NA
+PJ053027	PPQHWW 	C43H51N11O8	849.3922	NA	PeJP	NA	NA
+PJ053028	SSSEERR 	C31H55N13O15	849.3941	NA	PeJP	NA	NA
+PJ053029	PPTLEMY 	C39H59N7O12S	849.3943	NA	PeJP	NA	NA
+PJ053030	QEMMRR 	C32H59N13O10S2	849.395	NA	PeJP	NA	NA
+PJ053031	ATMRWW 	C40H55N11O8S	849.3956	NA	PeJP	NA	NA
+PJ053032	VVLEEMM 	C36H63N7O12S2	849.3976	NA	PeJP	NA	NA
+PJ053033	CLLLEEM 	C36H63N7O12S2	849.3977	NA	PeJP	NA	NA
+PJ053034	GTTTERW 	C36H55N11O13	849.3981	NA	PeJP	NA	NA
+PJ053035	VQMMRW 	C37H59N11O8S2	849.399	NA	PeJP	NA	NA
+PJ053036	SQHHRW 	C37H51N15O9	849.3995	NA	PeJP	NA	NA
+3080	hemorphin-6	YPWTQR	849.4	celiac toxic	Inhouse_peptide	NA	peptide
+3403	ACE inhibitor	YPWTQR	849.4	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ053037	GTKEEMR 	C33H59N11O13S	849.4015	NA	PeJP	NA	NA
+PJ053038	TTKEWW 	C41H55N9O11	849.4021	NA	PeJP	NA	NA
+PJ053039	GGAALEFW 	C41H55N9O11	849.4022	NA	PeJP	NA	NA
+PJ053040	GPKMMMR 	C34H63N11O8S3	849.4024	NA	PeJP	NA	NA
+PJ053041	AAQMHHR 	C34H55N15O9S	849.4028	NA	PeJP	NA	NA
+PJ053042	GKHHWW 	C42H51N13O7	849.4035	NA	PeJP	NA	NA
+PJ053043	GSSSSNRR 	C30H55N15O14	849.4053	NA	PeJP	NA	NA
+PJ053044	KKEEMW 	C38H59N9O11S	849.4055	NA	PeJP	NA	NA
+PJ053045	VQFFFY 	C46H55N7O9	849.4062	NA	PeJP	NA	NA
+PJ053046	STKKEEE 	C34H59N9O16	849.408	NA	PeJP	NA	NA
+PJ053047	SPKKEMM 	C35H63N9O11S2	849.4089	NA	PeJP	NA	NA
+PJ053048	QQQQRY 	C35H55N13O12	849.4093	NA	PeJP	NA	NA
+PJ053049	GSPDRRY 	C35H55N13O12	849.4094	NA	PeJP	NA	NA
+PJ053050	VKMFYY 	C43H59N7O9S	849.4095	NA	PeJP	NA	NA
+PJ053051	AMMRRW 	C36H59N13O7S2	849.4102	NA	PeJP	NA	NA
+PJ053052	SPLLEEY 	C39H59N7O14	849.412	NA	PeJP	NA	NA
+PJ053053	GTTEMRR 	C32H59N13O12S	849.4127	NA	PeJP	NA	NA
+PJ053054	PPVLMMY 	C40H63N7O9S2	849.4129	NA	PeJP	NA	NA
+PJ053055	TTTRWW 	C40H55N11O10	849.4134	NA	PeJP	NA	NA
+PJ053056	NMHHRR 	C33H55N17O8S	849.4141	NA	PeJP	NA	NA
+PJ053057	TKEMRW 	C37H59N11O10S	849.4167	NA	PeJP	NA	NA
+PJ053058	GGGSKKMW 	C37H59N11O10S	849.4168	NA	PeJP	NA	NA
+PJ053059	APKYWW 	C45H55N9O8	849.4174	NA	PeJP	NA	NA
+PJ053060	STTKEER 	C33H59N11O15	849.4192	NA	PeJP	NA	NA
+PJ053061	GGGSSTKKE 	C33H59N11O15	849.4193	NA	PeJP	NA	NA
+PJ053062	GVKEMMR 	C34H63N11O10S2	849.4201	NA	PeJP	NA	NA
+PJ053063	NNQRRY 	C34H55N15O11	849.4206	NA	PeJP	NA	NA
+PJ053064	SLKMWW 	C42H59N9O8S	849.4208	NA	PeJP	NA	NA
+PJ053065	SSTLKEW 	C38H59N9O13	849.4233	NA	PeJP	NA	NA
+PJ053066	SSCNKRR 	C31H59N15O11S	849.4239	NA	PeJP	NA	NA
+PJ053067	GGSSCKRR 	C31H59N15O11S	849.424	NA	PeJP	NA	NA
+PJ053068	AALKMMW 	C39H63N9O8S2	849.4241	NA	PeJP	NA	NA
+PJ053069	GEFRRW 	C39H55N13O9	849.4246	NA	PeJP	NA	NA
+PJ053070	SVKKEEM 	C35H63N9O13S	849.4266	NA	PeJP	NA	NA
+PJ053071	TLKYYY 	C43H59N7O11	849.4273	NA	PeJP	NA	NA
+PJ053072	PCLKKMM 	C36H67N9O8S3	849.4275	NA	PeJP	NA	NA
+PJ053073	TTMRRW 	C36H59N13O9S	849.428	NA	PeJP	NA	NA
+PJ053074	GVFRWW 	C44H55N11O7	849.4286	NA	PeJP	NA	NA
+PJ053075	STTTERR 	C32H59N13O14	849.4305	NA	PeJP	NA	NA
+PJ053076	PVVLEMY 	C40H63N7O11S	849.4307	NA	PeJP	NA	NA
+PJ053077	SVVCMRR 	C33H63N13O9S2	849.4313	NA	PeJP	NA	NA
+PJ053078	KEMMRR 	C33H63N13O9S2	849.4314	NA	PeJP	NA	NA
+PJ053079	GSTHHRR 	C33H55N17O10	849.4318	NA	PeJP	NA	NA
+PJ053080	LMHFFR 	C41H59N11O7S	849.432	NA	PeJP	NA	NA
+PJ053081	TLLLEMM 	C37H67N7O11S2	849.434	NA	PeJP	NA	NA
+PJ053082	SSTTLRW 	C37H59N11O12	849.4345	NA	PeJP	NA	NA
+PJ053083	VKMMRW 	C38H63N11O7S2	849.4354	NA	PeJP	NA	NA
+PJ053084	SKHHRW 	C38H55N15O8	849.4358	NA	PeJP	NA	NA
+PJ053085	GLLHHHH 	C38H55N15O8	849.4359	NA	PeJP	NA	NA
+PJ053086	SSLKEMR 	C34H63N11O12S	849.4379	NA	PeJP	NA	NA
+PJ053087	PKKEYW 	C42H59N9O10	849.4385	NA	PeJP	NA	NA
+PJ053088	PCRRRY 	C35H59N15O8S	849.4392	NA	PeJP	NA	NA
+PJ053089	FRRWW 	C43H55N13O6	849.4399	NA	PeJP	NA	NA
+PJ053090	ATTLKMW 	C39H63N9O10S	849.4419	NA	PeJP	NA	NA
+PJ053091	VKFFFY 	C47H59N7O8	849.4425	NA	PeJP	NA	NA
+PJ053092	TMMRRR 	C32H63N15O8S2	849.4426	NA	PeJP	NA	NA
+PJ053093	SSSSLLKE 	C35H63N9O15	849.4444	NA	PeJP	NA	NA
+PJ053094	ALKKEMM 	C36H67N9O10S2	849.4453	NA	PeJP	NA	NA
+PJ053095	VQERRY 	C36H59N13O11	849.4457	NA	PeJP	NA	NA
+PJ053096	GGGGGVKRY 	C36H59N13O11	849.4458	NA	PeJP	NA	NA
+PJ053097	PPVLMFF 	C44H63N7O8S	849.4459	NA	PeJP	NA	NA
+PJ053098	ALLLEEY 	C40H63N7O13	849.4484	NA	PeJP	NA	NA
+PJ053099	SSTLMRR 	C33H63N13O11S	849.4491	NA	PeJP	NA	NA
+PJ053100	PVLLMMF 	C41H67N7O8S2	849.4493	NA	PeJP	NA	NA
+MJ096140	GDPFLRF amide 	C41H59N11O9	849.449722	NA	MeJP	NA	NA
+PJ053101	PTKRYW 	C41H59N11O9	849.4498	NA	PeJP	NA	NA
+PJ053102	VLLLMMM 	C38H71N7O8S3	849.4527	NA	PeJP	NA	NA
+PJ053103	GTCKKKW 	C38H63N11O9S	849.4531	NA	PeJP	NA	NA
+PJ053104	ALKFWW 	C46H59N9O7	849.4538	NA	PeJP	NA	NA
+PJ053105	SSSSTLLR 	C34H63N11O14	849.4556	NA	PeJP	NA	NA
+PJ053106	ATLKMMR 	C35H67N11O9S2	849.4565	NA	PeJP	NA	NA
+PJ053107	AERRRY 	C35H59N15O10	849.457	NA	PeJP	NA	NA
+PJ053108	TTTTLKW 	C39H63N9O12	849.4596	NA	PeJP	NA	NA
+PJ053109	VVVNKEY 	C39H63N9O12	849.4597	NA	PeJP	NA	NA
+PJ053110	GLRRYW 	C40H59N13O8	849.461	NA	PeJP	NA	NA
+PJ053111	TTLKKEM 	C36H67N9O12S	849.463	NA	PeJP	NA	NA
+PJ053112	PPVVLYY 	C44H63N7O10	849.4637	NA	PeJP	NA	NA
+PJ053113	PKMRRY 	C37H63N13O8S	849.4644	NA	PeJP	NA	NA
+PJ053114	GSSSTKKR 	C33H63N13O13	849.4669	NA	PeJP	NA	NA
+PJ053115	PTLLLMY 	C41H67N7O10S	849.467	NA	PeJP	NA	NA
+PJ053116	VVLLEMF 	C41H67N7O10S	849.4671	NA	PeJP	NA	NA
+PJ053117	GCKKKMR 	C34H67N13O8S2	849.4677	NA	PeJP	NA	NA
+PJ053118	PEHRRR 	C34H59N17O9	849.4682	NA	PeJP	NA	NA
+PJ053119	SSSKKKW 	C38H63N11O11	849.4709	NA	PeJP	NA	NA
+PJ053120	PVHRRW 	C39H59N15O7	849.4722	NA	PeJP	NA	NA
+PJ053121	TTTLKMR 	C35H67N11O11S	849.4743	NA	PeJP	NA	NA
+PJ053122	LLQKYW 	C43H63N9O9	849.4749	NA	PeJP	NA	NA
+PJ053123	CLFRRR 	C36H63N15O7S	849.4756	NA	PeJP	NA	NA
+PJ053124	APLKKMY 	C40H67N9O9S	849.4783	NA	PeJP	NA	NA
+PJ053125	SSTTTLLK 	C36H67N9O14	849.4808	NA	PeJP	NA	NA
+PJ053126	SLLKKMM 	C37H71N9O9S2	849.4817	NA	PeJP	NA	NA
+PJ053127	VKERRY 	C37H63N13O10	849.4821	NA	PeJP	NA	NA
+PJ053128	SLLLLEY 	C41H67N7O12	849.4848	NA	PeJP	NA	NA
+PJ053129	STCKKKR 	C34H67N13O10S	849.4855	NA	PeJP	NA	NA
+PJ053130	VVKRYW 	C42H63N11O8	849.4861	NA	PeJP	NA	NA
+PJ053131	PPPVVRW 	C42H63N11O8	849.4862	NA	PeJP	NA	NA
+PJ053132	GVLKMFR 	C39H67N11O8S	849.4895	NA	PeJP	NA	NA
+PJ053133	GSTTTKKK 	C35H67N11O13	849.492	NA	PeJP	NA	NA
+PJ053134	GKKKKMM 	C36H71N11O8S2	849.4929	NA	PeJP	NA	NA
+PJ053135	SLRRRY 	C36H63N15O9	849.4934	NA	PeJP	NA	NA
+PJ053136	GLLKKEY 	C40H67N9O11	849.496	NA	PeJP	NA	NA
+PJ053137	GPPPLLKE 	C40H67N9O11	849.4961	NA	PeJP	NA	NA
+PJ053138	PKFFRR 	C41H63N13O7	849.4974	NA	PeJP	NA	NA
+PJ053139	PVVLLFY 	C45H67N7O9	849.5001	NA	PeJP	NA	NA
+PJ053140	LKMFRR 	C38H67N13O7S	849.5008	NA	PeJP	NA	NA
+PJ053141	VVLLLMY 	C42H71N7O9S	849.5034	NA	PeJP	NA	NA
+PJ053142	GTLLKRY 	C39H67N11O10	849.5073	NA	PeJP	NA	NA
+PJ053143	STKKKKM 	C36H71N11O10S	849.5106	NA	PeJP	NA	NA
+PJ053144	LLKKYW 	C44H67N9O8	849.5113	NA	PeJP	NA	NA
+PJ053145	ALLKKMF 	C41H71N9O8S	849.5147	NA	PeJP	NA	NA
+PJ053146	QKKKRY 	C38H67N13O9	849.5185	NA	PeJP	NA	NA
+MJ096141	Tolytoxin 	C46H75NO13	849.523841	NA	MeJP	NA	NA
+PJ053147	AVVLHRR 	C37H67N15O8	849.5297	NA	PeJP	NA	NA
+PJ053148	GVLLHRR 	C37H67N15O8	849.5298	NA	PeJP	NA	NA
+PJ053149	SVLLKKY 	C41H71N9O10	849.5324	NA	PeJP	NA	NA
+PJ053150	VVLLLFF 	C46H71N7O8	849.5364	NA	PeJP	NA	NA
+PJ053151	LLHRRR 	C36H67N17O7	849.541	NA	PeJP	NA	NA
+PJ053152	GVKKKKY 	C40H71N11O9	849.5437	NA	PeJP	NA	NA
+EUR1012	PC 38:7 [M+FA-H]-	C46H78NO8P	849.551387	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1012	PC 38:7 [M+FA-H]-	C46H78NO8P	849.551387	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1012	PC 38:7 [M+FA-H]-	C46H78NO8P	849.551387	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1012	PC 38:7 [M+FA-H]-	C46H78NO8P	849.551387	masses lipides attendues	Inhousejuil11	NA	NA
+PJ053153	KKKKRY 	C39H71N13O8	849.5549	NA	PeJP	NA	NA
+PJ053154	GPPLLLLK 	C42H75N9O9	849.5688	NA	PeJP	NA	NA
+PJ053155	VLLLKKH 	C41H75N11O8	849.5801	NA	PeJP	NA	NA
+HMDB09410	PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09443	PE(20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09475	PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09505	PE(22:0/22:5(4Z,7Z,10Z,13Z,16Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09506	PE(22:0/22:5(7Z,10Z,13Z,16Z,19Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09537	PE(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09600	PE(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09633	PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09666	PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09731	PE(24:0/20:5(5Z,8Z,11Z,14Z,17Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09762	PE(24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB09763	PE(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	C49H88NO8P	849.624756	NA	HMDB2010	NA	NA
+HMDB13451	PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	C50H92NO7P	849.661133	NA	HMDB2010	NA	NA
+PJ053156	SCCCCCDD 	C26H42N8O14S5	850.1424	NA	PeJP	NA	NA
+PJ053157	GCCCCCEM 	C27H46N8O11S6	850.1611	NA	PeJP	NA	NA
+PJ053158	CCCCCMW 	C31H46N8O8S6	850.1763	NA	PeJP	NA	NA
+PJ053159	SSCCCCDM 	C27H46N8O13S5	850.1788	NA	PeJP	NA	NA
+PJ053160	GPCCCCCY 	C31H46N8O10S5	850.1941	NA	PeJP	NA	NA
+PJ053161	GTCCCCMM 	C28H50N8O10S6	850.1975	NA	PeJP	NA	NA
+PJ053162	CCCNDMY 	C31H46N8O12S4	850.2118	NA	PeJP	NA	NA
+PJ053163	SSSCCCMM 	C28H50N8O12S5	850.2152	NA	PeJP	NA	NA
+PJ053164	GSCCDDDH 	C29H42N10O16S2	850.2222	NA	PeJP	NA	NA
+PJ053165	GPCCCCEH 	C30H46N10O11S4	850.2231	NA	PeJP	NA	NA
+PJ053166	ACCCCYW 	C35H46N8O9S4	850.2271	NA	PeJP	NA	NA
+PJ053167	GPCDDDDD 	C30H42N8O19S	850.2287	NA	PeJP	NA	NA
+PJ053168	GSSCCCEY 	C31H46N8O14S3	850.2296	NA	PeJP	NA	NA
+PJ053169	CCCNMMF 	C32H50N8O9S5	850.2305	NA	PeJP	NA	NA
+PJ053170	PCCCCHW 	C34H46N10O8S4	850.2383	NA	PeJP	NA	NA
+PJ053171	CCNDEMH 	C30H46N10O13S3	850.2408	NA	PeJP	NA	NA
+PJ053172	SSCCCYW 	C35H46N8O11S3	850.2448	NA	PeJP	NA	NA
+PJ053173	CCCNDFF 	C35H46N8O11S3	850.2449	NA	PeJP	NA	NA
+PJ053174	NDDDDEE 	C30H42N8O21	850.2465	NA	PeJP	NA	NA
+PJ053175	SSSSCCDY 	C31H46N8O16S2	850.2473	NA	PeJP	NA	NA
+PJ053176	SPPCCDDD 	C31H46N8O16S2	850.2474	NA	PeJP	NA	NA
+PJ053177	SCCNMMY 	C32H50N8O11S4	850.2482	NA	PeJP	NA	NA
+PJ053178	CCCDDHR 	C29H46N12O12S3	850.2521	NA	PeJP	NA	NA
+PJ053179	GCCDMHW 	C34H46N10O10S3	850.2561	NA	PeJP	NA	NA
+PJ053180	GSNNDDDD 	C29H42N10O20	850.2577	NA	PeJP	NA	NA
+PJ053181	GSSCDDMH 	C30H46N10O15S2	850.2586	NA	PeJP	NA	NA
+PJ053182	TCCCCRY 	C31H50N10O10S4	850.2595	NA	PeJP	NA	NA
+PJ053183	GDDDDEW 	C34H42N8O18	850.2617	NA	PeJP	NA	NA
+PJ053184	GCCNEYY 	C35H46N8O13S2	850.2626	NA	PeJP	NA	NA
+PJ053185	GSPDDDDM 	C31H46N8O18S	850.2651	NA	PeJP	NA	NA
+PJ053186	GSSTCCMY 	C32H50N8O13S3	850.266	NA	PeJP	NA	NA
+PJ053187	SSSCCNNH 	C29H46N12O14S2	850.2698	NA	PeJP	NA	NA
+PJ053188	SSCCEHW 	C34H46N10O12S2	850.2738	NA	PeJP	NA	NA
+PJ053189	GGPCCNDW 	C34H46N10O12S2	850.2739	NA	PeJP	NA	NA
+PJ053190	SSSSCDEH 	C30H46N10O17S	850.2763	NA	PeJP	NA	NA
+PJ053191	GGNNDDEM 	C30H46N10O17S	850.2764	NA	PeJP	NA	NA
+PJ053192	DDDDWW 	C38H42N8O15	850.277	NA	PeJP	NA	NA
+PJ053193	SCNEMMH 	C31H50N10O12S3	850.2772	NA	PeJP	NA	NA
+PJ053194	CCNYYW 	C39H46N8O10S2	850.2779	NA	PeJP	NA	NA
+PJ053195	SPCDDEW 	C35H46N8O15S	850.2804	NA	PeJP	NA	NA
+PJ053196	PPCCDMW 	C36H50N8O10S3	850.2812	NA	PeJP	NA	NA
+PJ053197	SNDEEEE 	C31H46N8O20	850.2829	NA	PeJP	NA	NA
+PJ053198	SSSSSCMY 	C32H50N8O15S2	850.2837	NA	PeJP	NA	NA
+PJ053199	GGPDDEMM 	C32H50N8O15S2	850.2838	NA	PeJP	NA	NA
+PJ053200	TCCCKMY 	C33H54N8O10S4	850.2846	NA	PeJP	NA	NA
+PJ053201	CCNNNHF 	C33H46N12O11S2	850.2851	NA	PeJP	NA	NA
+PJ053202	CNNDDDR 	C29H46N12O16S	850.2876	NA	PeJP	NA	NA
+PJ053203	DEMMYY 	C37H50N6O13S2	850.2878	NA	PeJP	NA	NA
+PJ053204	SCCDMHR 	C30H50N12O11S3	850.2884	NA	PeJP	NA	NA
+PJ053205	TCCCEHR 	C30H50N12O11S3	850.2885	NA	PeJP	NA	NA
+FL5FABGI0020	Sempervirenoside B	C40H50O20	850.28954	131984-67-3	knapsack	NA	NA
+MJ096142	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-xylopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C40H50O20	850.289544	NA	MeJP	NA	NA
+C15527	Precorrin 1	C41H46N4O16	850.2909	NA	KEGG	NA	NA
+C15528	[Cytochrome c]-arginine	C7H13N5O2R2	850.2909	NA	KEGG	NA	NA
+C15529	[Cytochrome c]-N(omega)-methylarginine	C8H15N5O2R2	850.2909	NA	KEGG	NA	NA
+PJ053206	GNNDDMW 	C34H46N10O14S	850.2916	NA	PeJP	NA	NA
+PJ053207	GSCMMHW 	C35H50N10O9S3	850.2925	NA	PeJP	NA	NA
+PJ053208	SDDDDER 	C30H46N10O19	850.2941	NA	PeJP	NA	NA
+PJ053209	PCDDDMR 	C31H50N10O14S2	850.295	NA	PeJP	NA	NA
+PJ053210	GNMMMMH 	C32H54N10O9S4	850.2958	NA	PeJP	NA	NA
+PJ053211	GGGMMMMH 	C32H54N10O9S4	850.2959	NA	PeJP	NA	NA
+PJ053212	SCCQHHH 	C32H46N14O10S2	850.2963	NA	PeJP	NA	NA
+PJ053213	GSDEEEW 	C35H46N8O17	850.2981	NA	PeJP	NA	NA
+PJ053214	GPDDMMW 	C36H50N8O12S2	850.299	NA	PeJP	NA	NA
+PJ053215	GQEEEEM 	C32H50N8O17S	850.3015	NA	PeJP	NA	NA
+PJ053216	DDEFYY 	C40H46N6O15	850.3021	NA	PeJP	NA	NA
+PJ053217	GSPPCEMM 	C33H54N8O12S3	850.3024	NA	PeJP	NA	NA
+PJ053218	SCNNNNW 	C33H46N12O13S	850.3028	NA	PeJP	NA	NA
+PJ053219	GGGGGGSCNW 	C33H46N12O13S	850.3029	NA	PeJP	NA	NA
+PJ053220	SSSNNNND 	C29H46N12O18	850.3053	NA	PeJP	NA	NA
+PJ053221	GGGGGGSSSND 	C29H46N12O18	850.3054	NA	PeJP	NA	NA
+PJ053222	GSPCCNDR 	C30H50N12O13S2	850.3062	NA	PeJP	NA	NA
+PJ053223	EMMMFY 	C38H54N6O10S3	850.3064	NA	PeJP	NA	NA
+PJ053224	CNNEWW 	C38H46N10O11S	850.3069	NA	PeJP	NA	NA
+PJ053225	ACCMMHR 	C31H54N12O8S4	850.3071	NA	PeJP	NA	NA
+PJ053226	SSNNDEW 	C34H46N10O16	850.3094	NA	PeJP	NA	NA
+PJ053227	SSTCMHW 	C35H50N10O11S2	850.3102	NA	PeJP	NA	NA
+PJ053228	GGGGGPPCCF 	C35H50N10O11S2	850.3103	NA	PeJP	NA	NA
+PJ053229	GDDEEMR 	C31H50N10O16S	850.3127	NA	PeJP	NA	NA
+PJ053230	GGGGGGTEEM 	C31H50N10O16S	850.3128	NA	PeJP	NA	NA
+PJ053231	SDEEWW 	C39H46N8O14	850.3134	NA	PeJP	NA	NA
+PJ053232	SSQMMMH 	C32H54N10O11S3	850.3136	NA	PeJP	NA	NA
+PJ053233	GSSSCHHH 	C32H46N14O12S	850.3141	NA	PeJP	NA	NA
+PJ053234	ACCNFFF 	C40H50N8O9S2	850.3142	NA	PeJP	NA	NA
+PJ053235	PCEMWW 	C40H50N8O9S2	850.3143	NA	PeJP	NA	NA
+PJ053236	SSPDEMW 	C36H50N8O14S	850.3167	NA	PeJP	NA	NA
+PJ053237	QEEEMW 	C36H50N8O14S	850.3168	NA	PeJP	NA	NA
+PJ053238	CCNNNQR 	C29H50N14O12S2	850.3174	NA	PeJP	NA	NA
+PJ053239	GGGGGGCCQR 	C29H50N14O12S2	850.3175	NA	PeJP	NA	NA
+PJ053240	SPPCMMW 	C37H54N8O9S3	850.3176	NA	PeJP	NA	NA
+PJ053241	GPCDHHW 	C37H46N12O10S	850.3181	NA	PeJP	NA	NA
+PJ053242	STQEEEE 	C32H50N8O19	850.3192	NA	PeJP	NA	NA
+PJ053243	TTNEEEE 	C32H50N8O19	850.3193	NA	PeJP	NA	NA
+PJ053244	SPQEEMM 	C33H54N8O14S2	850.3201	NA	PeJP	NA	NA
+PJ053245	NNNNNDF 	C33H46N12O15	850.3206	NA	PeJP	NA	NA
+PJ053246	PDMYYY 	C41H50N6O12S	850.3208	NA	PeJP	NA	NA
+PJ053247	PPNMMMM 	C34H58N8O9S4	850.321	NA	PeJP	NA	NA
+PJ053248	GCCEHFR 	C34H50N12O10S2	850.3215	NA	PeJP	NA	NA
+PJ053249	GCNWWW 	C42H46N10O8S	850.3221	NA	PeJP	NA	NA
+PJ053250	SNNDDMR 	C30H50N12O15S	850.324	NA	PeJP	NA	NA
+PJ053251	GSSNDWW 	C38H46N10O13	850.3246	NA	PeJP	NA	NA
+PJ053252	SSCMMHR 	C31H54N12O10S3	850.3248	NA	PeJP	NA	NA
+PJ053253	GGGAPCCMR 	C31H54N12O10S3	850.3249	NA	PeJP	NA	NA
+PJ053254	CQMHFW 	C39H50N10O8S2	850.3255	NA	PeJP	NA	NA
+PJ053255	DDEMRW 	C35H50N10O13S	850.328	NA	PeJP	NA	NA
+PJ053256	GCNHHHF 	C36H46N14O9S	850.3293	NA	PeJP	NA	NA
+PJ053257	SSDEEER 	C31H50N10O18	850.3305	NA	PeJP	NA	NA
+PJ053258	CCLQQQE 	C32H54N10O13S2	850.3313	NA	PeJP	NA	NA
+PJ053259	SPDDMMR 	C32H54N10O13S2	850.3314	NA	PeJP	NA	NA
+PJ053260	GDDDHHR 	C32H46N14O14	850.3318	NA	PeJP	NA	NA
+PJ053261	GGGGGGSEHH 	C32H46N14O14	850.3319	NA	PeJP	NA	NA
+PJ053262	AEEMWW 	C40H50N8O11S	850.332	NA	PeJP	NA	NA
+PJ053263	ACKMMMH 	C33H58N10O8S4	850.3322	NA	PeJP	NA	NA
+PJ053264	SCCKHHH 	C33H50N14O9S2	850.3327	NA	PeJP	NA	NA
+PJ053265	GTTEEEW 	C36H50N8O16	850.3345	NA	PeJP	NA	NA
+PJ053266	GSSCNNNR 	C29H50N14O14S	850.3352	NA	PeJP	NA	NA
+PJ053267	GPTEMMW 	C37H54N8O11S2	850.3354	NA	PeJP	NA	NA
+PJ053268	NEEHHW 	C37H46N12O12	850.3359	NA	PeJP	NA	NA
+PJ053269	PCCCNRR 	C30H54N14O9S3	850.3361	NA	PeJP	NA	NA
+PJ053270	CCHFRW 	C38H50N12O7S2	850.3367	NA	PeJP	NA	NA
+PJ053271	GKEEEEM 	C33H54N8O16S	850.3379	NA	PeJP	NA	NA
+PJ053272	VDEYYY 	C41H50N6O14	850.3385	NA	PeJP	NA	NA
+PJ053273	SSPPVCMM 	C34H58N8O11S3	850.3387	NA	PeJP	NA	NA
+PJ053274	PVNEMMM 	C34H58N8O11S3	850.3388	NA	PeJP	NA	NA
+PJ053275	GSCNERW 	C34H50N12O12S	850.3392	NA	PeJP	NA	NA
+PJ053276	PMMFYY 	C42H54N6O9S2	850.3394	NA	PeJP	NA	NA
+PJ053277	GSSSNDER 	C30H50N12O17	850.3417	NA	PeJP	NA	NA
+PJ053278	GNNEMMR 	C31H54N12O12S2	850.3426	NA	PeJP	NA	NA
+PJ053279	LMMMYY 	C39H58N6O9S3	850.3428	NA	PeJP	NA	NA
+PJ053280	SNQMWW 	C39H50N10O10S	850.3432	NA	PeJP	NA	NA
+PJ053281	GGGGTMWW 	C39H50N10O10S	850.3433	NA	PeJP	NA	NA
+PJ053282	SSSQQEW 	C35H50N10O15	850.3457	NA	PeJP	NA	NA
+PJ053283	GGGGSTTEW 	C35H50N10O15	850.3458	NA	PeJP	NA	NA
+PJ053284	QQQMMW 	C36H54N10O10S2	850.3466	NA	PeJP	NA	NA
+PJ053285	GSNNHHW 	C36H46N14O11	850.3471	NA	PeJP	NA	NA
+PJ053286	PPCYWW 	C44H50N8O8S	850.3473	NA	PeJP	NA	NA
+PJ053287	GTEEEMR 	C32H54N10O15S	850.3491	NA	PeJP	NA	NA
+PJ053288	SQQYYY 	C40H50N8O13	850.3497	NA	PeJP	NA	NA
+PJ053289	TTEEWW 	C40H50N8O13	850.3498	NA	PeJP	NA	NA
+PJ053290	GPEMMMR 	C33H58N10O10S3	850.35	NA	PeJP	NA	NA
+PJ053291	SPCDHHR 	C33H50N14O11S	850.3505	NA	PeJP	NA	NA
+PJ053292	PTMMWW 	C41H54N8O8S2	850.3506	NA	PeJP	NA	NA
+PJ053293	GEHHWW 	C41H46N12O9	850.3511	NA	PeJP	NA	NA
+PJ053294	KEEEMW 	C37H54N8O13S	850.3531	NA	PeJP	NA	NA
+PJ053295	GAAPEEMF 	C37H54N8O13S	850.3532	NA	PeJP	NA	NA
+PJ053296	PDFFYY 	C45H50N6O11	850.3538	NA	PeJP	NA	NA
+PJ053297	GGGGGGCCKR 	C30H54N14O11S2	850.3539	NA	PeJP	NA	NA
+PJ053298	GPVMMMW 	C38H58N8O8S3	850.354	NA	PeJP	NA	NA
+PJ053299	SCNRWW 	C38H50N12O9S	850.3545	NA	PeJP	NA	NA
+PJ053300	STKEEEE 	C33H54N8O18	850.3556	NA	PeJP	NA	NA
+PJ053301	SPKEEMM 	C34H58N8O13S2	850.3565	NA	PeJP	NA	NA
+PJ053302	SSSNDRW 	C34H50N12O14	850.357	NA	PeJP	NA	NA
+PJ053303	VEMFYY 	C42H54N6O11S	850.3572	NA	PeJP	NA	NA
+PJ053304	NNMMRW 	C35H54N12O9S2	850.3578	NA	PeJP	NA	NA
+PJ053305	GGNMMRW 	C35H54N12O9S2	850.3579	NA	PeJP	NA	NA
+PJ053306	SSNQEMR 	C31H54N12O14S	850.3603	NA	PeJP	NA	NA
+PJ053307	GGSSQEMR 	C31H54N12O14S	850.3604	NA	PeJP	NA	NA
+PJ053308	GSSTQWW 	C39H50N10O12	850.361	NA	PeJP	NA	NA
+PJ053309	PCCNKMR 	C32H58N12O9S3	850.3612	NA	PeJP	NA	NA
+PJ053310	GCNQHHR 	C32H50N16O10S	850.3617	NA	PeJP	NA	NA
+PJ053311	CKMHFW 	C40H54N10O7S2	850.3619	NA	PeJP	NA	NA
+MJ096143	Pergidin; 4-Valine analogue 	C37H55N8O13P	850.36262	NA	MeJP	NA	NA
+PJ053312	TEEMRW 	C36H54N10O12S	850.3644	NA	PeJP	NA	NA
+PJ053313	APEYWW 	C44H50N8O10	850.365	NA	PeJP	NA	NA
+PJ053314	PMMMRW 	C37H58N10O7S3	850.3652	NA	PeJP	NA	NA
+PJ053315	HHWWW 	C45H46N12O6	850.3664	NA	PeJP	NA	NA
+PJ053316	STTEEER 	C32H54N10O17	850.3669	NA	PeJP	NA	NA
+PJ053317	GVEEMMR 	C33H58N10O12S2	850.3677	NA	PeJP	NA	NA
+PJ053318	GGAQKEMM 	C33H58N10O12S2	850.3678	NA	PeJP	NA	NA
+PJ053319	GNNNNRY 	C33H50N14O13	850.3682	NA	PeJP	NA	NA
+PJ053320	GGGGGGGGAAPH 	C33H50N14O13	850.3683	NA	PeJP	NA	NA
+PJ053321	SLEMWW 	C41H54N8O10S	850.3684	NA	PeJP	NA	NA
+PJ053322	CCQRRW 	C34H54N14O8S2	850.3691	NA	PeJP	NA	NA
+PJ053323	SSTLEEW 	C37H54N8O15	850.3709	NA	PeJP	NA	NA
+PJ053324	SSCNERR 	C30H54N14O13S	850.3716	NA	PeJP	NA	NA
+PJ053325	AALEMMW 	C38H58N8O10S2	850.3718	NA	PeJP	NA	NA
+PJ053326	NNDFRW 	C38H50N12O11	850.3722	NA	PeJP	NA	NA
+PJ053327	GGGGDFRW 	C38H50N12O11	850.3723	NA	PeJP	NA	NA
+PJ053328	PMFFFY 	C46H54N6O8S	850.3724	NA	PeJP	NA	NA
+PJ053329	HHHHHF 	C39H46N16O7	850.3736	NA	PeJP	NA	NA
+PJ053330	SVKEEEM 	C34H58N8O15S	850.3743	NA	PeJP	NA	NA
+PJ053331	TLEYYY 	C42H54N6O13	850.3749	NA	PeJP	NA	NA
+PJ053332	PVDKMMM 	C35H62N8O10S3	850.3751	NA	PeJP	NA	NA
+PJ053333	GSSQMRW 	C35H54N12O11S	850.3756	NA	PeJP	NA	NA
+PJ053334	LMMFFY 	C43H58N6O8S2	850.3758	NA	PeJP	NA	NA
+PJ053335	GQQFWW 	C43H50N10O9	850.3763	NA	PeJP	NA	NA
+PJ053336	GSSSTQER 	C31H54N12O16	850.3781	NA	PeJP	NA	NA
+PJ053337	EEMMRR 	C32H58N12O11S2	850.379	NA	PeJP	NA	NA
+PJ053338	SSNNHHR 	C32H50N16O12	850.3794	NA	PeJP	NA	NA
+PJ053339	GGSSNHHR 	C32H50N16O12	850.3795	NA	PeJP	NA	NA
+PJ053340	SNKMWW 	C40H54N10O9S	850.3796	NA	PeJP	NA	NA
+PJ053341	SSSQKEW 	C36H54N10O14	850.3821	NA	PeJP	NA	NA
+PJ053342	GGGGGAALEY 	C36H54N10O14	850.3822	NA	PeJP	NA	NA
+PJ053343	VEMMRW 	C37H58N10O9S2	850.383	NA	PeJP	NA	NA
+PJ053344	SEHHRW 	C37H50N14O10	850.3835	NA	PeJP	NA	NA
+PJ053345	PCLFWW 	C45H54N8O7S	850.3837	NA	PeJP	NA	NA
+PJ053346	SSLEEMR 	C33H58N10O14S	850.3855	NA	PeJP	NA	NA
+PJ053347	SPPTTYW 	C41H54N8O12	850.3861	NA	PeJP	NA	NA
+PJ053348	PKEEYW 	C41H54N8O12	850.3862	NA	PeJP	NA	NA
+PJ053349	SPVMMMR 	C34H62N10O9S3	850.3864	NA	PeJP	NA	NA
+PJ053350	GSSCRRW 	C34H54N14O10S	850.3868	NA	PeJP	NA	NA
+PJ053351	GVDMHHR 	C34H54N14O10S	850.3869	NA	PeJP	NA	NA
+PJ053352	VVMMWW 	C42H58N8O7S2	850.387	NA	PeJP	NA	NA
+PJ053353	SVHHWW 	C42H50N12O8	850.3875	NA	PeJP	NA	NA
+PJ053354	GSSSSDRR 	C30H54N14O15	850.3893	NA	PeJP	NA	NA
+PJ053355	ATTLEMW 	C38H58N8O12S	850.3895	NA	PeJP	NA	NA
+PJ053356	PVFYYY 	C46H54N6O10	850.3902	NA	PeJP	NA	NA
+PJ053357	LQMHHW 	C39H54N12O8S	850.3909	NA	PeJP	NA	NA
+PJ053358	SSSSLLEE 	C34H58N8O17	850.392	NA	PeJP	NA	NA
+PJ053359	ALKEEMM 	C35H62N8O12S2	850.3929	NA	PeJP	NA	NA
+PJ053360	SSSTQRW 	C35H54N12O13	850.3934	NA	PeJP	NA	NA
+PJ053361	VLMYYY 	C43H58N6O10S	850.3935	NA	PeJP	NA	NA
+PJ053362	CQKMRW 	C36H58N12O8S2	850.3942	NA	PeJP	NA	NA
+PJ053363	GVQHHHH 	C36H50N16O9	850.3947	NA	PeJP	NA	NA
+PJ053364	SSNKEMR 	C32H58N12O13S	850.3967	NA	PeJP	NA	NA
+PJ053365	GGGGGSTCKK 	C32H58N12O13S	850.3968	NA	PeJP	NA	NA
+PJ053366	GSSTKWW 	C40H54N10O11	850.3974	NA	PeJP	NA	NA
+PJ053367	DMHHRR 	C33H54N16O9S	850.3981	NA	PeJP	NA	NA
+PJ053368	ASTQKMW 	C37H58N10O11S	850.4007	NA	PeJP	NA	NA
+PJ053369	GSDKKMW 	C37H58N10O11S	850.4008	NA	PeJP	NA	NA
+PJ053370	SPLYWW 	C45H54N8O9	850.4014	NA	PeJP	NA	NA
+PJ053371	GTCCRRR 	C30H58N16O9S2	850.4015	NA	PeJP	NA	NA
+PJ053372	CLHHRW 	C38H54N14O7S	850.4021	NA	PeJP	NA	NA
+PJ053373	SSSSVQKE 	C33H58N10O16	850.4032	NA	PeJP	NA	NA
+PJ053374	GSSSKKEE 	C33H58N10O16	850.4033	NA	PeJP	NA	NA
+PJ053375	ATLEMMR 	C34H62N10O11S2	850.4041	NA	PeJP	NA	NA
+PJ053376	NNERRY 	C34H54N14O12	850.4046	NA	PeJP	NA	NA
+PJ053377	AAPLMYW 	C42H58N8O9S	850.4048	NA	PeJP	NA	NA
+PJ053378	PFFFFF 	C50H54N6O7	850.4054	NA	PeJP	NA	NA
+PJ053379	CCKRRW 	C35H58N14O7S2	850.4055	NA	PeJP	NA	NA
+PJ053380	QHHHHR 	C35H50N18O8	850.4059	NA	PeJP	NA	NA
+PJ053381	GAHHHHR 	C35H50N18O8	850.406	NA	PeJP	NA	NA
+PJ053382	TTTTLEW 	C38H58N8O14	850.4073	NA	PeJP	NA	NA
+PJ053383	SSSQMRR 	C31H58N14O12S	850.408	NA	PeJP	NA	NA
+PJ053384	ASLLMMW 	C39H62N8O9S2	850.4081	NA	PeJP	NA	NA
+PJ053385	GTLLMMW 	C39H62N8O9S2	850.4082	NA	PeJP	NA	NA
+PJ053386	AQQRYW 	C39H54N12O10	850.4086	NA	PeJP	NA	NA
+PJ053387	LMFFFF 	C47H58N6O7S	850.4088	NA	PeJP	NA	NA
+PJ053388	SPTTTTLM 	C35H62N8O14S	850.4106	NA	PeJP	NA	NA
+PJ053389	TTLKEEM 	C35H62N8O14S	850.4107	NA	PeJP	NA	NA
+PJ053390	PTLKMMM 	C36H66N8O9S3	850.4115	NA	PeJP	NA	NA
+PJ053391	GSSKMRW 	C36H58N12O10S	850.412	NA	PeJP	NA	NA
+PJ053392	GQKFWW 	C44H54N10O8	850.4126	NA	PeJP	NA	NA
+PJ053393	GGAKFWW 	C44H54N10O8	850.4127	NA	PeJP	NA	NA
+PJ053394	GSSSTKER 	C32H58N12O15	850.4145	NA	PeJP	NA	NA
+PJ053395	GTQKMMR 	C33H62N12O10S2	850.4154	NA	PeJP	NA	NA
+PJ053396	GPNDHRR 	C33H54N16O11	850.4158	NA	PeJP	NA	NA
+PJ053397	GGGPDHRR 	C33H54N16O11	850.4159	NA	PeJP	NA	NA
+PJ053398	TCKKWW 	C41H58N10O8S	850.416	NA	PeJP	NA	NA
+PJ053399	SSSKKEW 	C37H58N10O13	850.4185	NA	PeJP	NA	NA
+3411	ACE inhibitor	PPHQIYP	850.419	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ053400	SSSCRRR 	C30H58N16O11S	850.4192	NA	PeJP	NA	NA
+PJ053401	QKKMMW 	C38H62N10O8S2	850.4194	NA	PeJP	NA	NA
+PJ053402	GNRRYW 	C38H54N14O9	850.4199	NA	PeJP	NA	NA
+PJ053403	TTTLEMR 	C34H62N10O13S	850.4219	NA	PeJP	NA	NA
+PJ053404	LLQEYW 	C42H58N8O11	850.4225	NA	PeJP	NA	NA
+PJ053405	GAAPLEFF 	C42H58N8O11	850.4226	NA	PeJP	NA	NA
+PJ053406	GLLMMMR 	C35H66N10O8S3	850.4228	NA	PeJP	NA	NA
+PJ053407	NQMFRR 	C35H58N14O9S	850.4232	NA	PeJP	NA	NA
+PJ053408	PKHHFW 	C43H54N12O7	850.4239	NA	PeJP	NA	NA
+PJ053409	GSSSTTRR 	C31H58N14O14	850.4257	NA	PeJP	NA	NA
+PJ053410	STTLLMW 	C39H62N8O11S	850.4259	NA	PeJP	NA	NA
+PJ053411	VLFFYY 	C47H58N6O9	850.4266	NA	PeJP	NA	NA
+PJ053412	LKMHHW 	C40H58N12O7S	850.4273	NA	PeJP	NA	NA
+PJ053413	SSTTTLLE 	C35H62N8O16	850.4284	NA	PeJP	NA	NA
+PJ053414	SLLKEMM 	C36H66N8O11S2	850.4293	NA	PeJP	NA	NA
+PJ053415	SSSTKRW 	C36H58N12O12	850.4297	NA	PeJP	NA	NA
+PJ053416	VEERRY 	C36H58N12O12	850.4298	NA	PeJP	NA	NA
+PJ053417	CKKMRW 	C37H62N12O7S2	850.4306	NA	PeJP	NA	NA
+PJ053418	APPHHHR 	C37H54N16O8	850.4311	NA	PeJP	NA	NA
+PJ053419	SSDKKMR 	C33H62N12O12S	850.4331	NA	PeJP	NA	NA
+PJ053420	VVERYW 	C41H58N10O10	850.4338	NA	PeJP	NA	NA
+PJ053421	CNFRRR 	C34H58N16O8S	850.4345	NA	PeJP	NA	NA
+MJ096144	Bryostatin 5; Deoxy(?) 	C44H66O16	850.435086	NA	MeJP	NA	NA
+MJ096145	Gitaloxigenin; 3-O-[Acetyl-D-digitoxopyranosyl-(1?4)-D-digitoxopyranosyl-(1?4)-D-digitoxopyranoside] 	C44H66O16	850.435086	NA	MeJP	NA	NA
+C16749	Acetylgitaloxin	C44H66O16	850.4351	NA	KEGG	NA	NA
+MJ096146	Halichondramide; 33-Me 	C45H62N4O12	850.436423	NA	MeJP	NA	NA
+PJ053422	GTTKKMW 	C38H62N10O10S	850.4371	NA	PeJP	NA	NA
+PJ053423	GGAPKKMY 	C38H62N10O10S	850.4372	NA	PeJP	NA	NA
+PJ053424	ALLYWW 	C46H58N8O8	850.4378	NA	PeJP	NA	NA
+PJ053425	GSTTTKKE 	C34H62N10O15	850.4396	NA	PeJP	NA	NA
+PJ053426	STLLMMR 	C35H66N10O10S2	850.4405	NA	PeJP	NA	NA
+PJ053427	NDKRRY 	C35H58N14O11	850.441	NA	PeJP	NA	NA
+PJ053428	AALLMFW 	C43H62N8O8S	850.4412	NA	PeJP	NA	NA
+PJ053429	KHHHHR 	C36H54N18O7	850.4423	NA	PeJP	NA	NA
+PJ053430	GLLKEEY 	C39H62N8O13	850.4437	NA	PeJP	NA	NA
+PJ053431	SSSKMRR 	C32H62N14O11S	850.4444	NA	PeJP	NA	NA
+PJ053432	PVVKMMF 	C40H66N8O8S2	850.4445	NA	PeJP	NA	NA
+PJ053433	AQKRYW 	C40H58N12O9	850.445	NA	PeJP	NA	NA
+PJ053434	SSSTLLLM 	C36H66N8O13S	850.447	NA	PeJP	NA	NA
+PJ053435	VVLKMMM 	C37H70N8O8S3	850.4479	NA	PeJP	NA	NA
+PJ053436	GPCKKRY 	C37H62N12O9S	850.4484	NA	PeJP	NA	NA
+PJ053437	GKKFWW 	C45H58N10O7	850.449	NA	PeJP	NA	NA
+PJ053438	SSSSSLKR 	C33H62N12O14	850.4509	NA	PeJP	NA	NA
+PJ053439	ASKKMMR 	C34H66N12O9S2	850.4517	NA	PeJP	NA	NA
+PJ053440	GTKKMMR 	C34H66N12O9S2	850.4518	NA	PeJP	NA	NA
+PJ053441	SNRRRY 	C34H58N16O10	850.4522	NA	PeJP	NA	NA
+PJ053442	VLMFRW 	C42H62N10O7S	850.4524	NA	PeJP	NA	NA
+MJ096147	Melanodocin; Me ester 	C45H70O13S	850.453713	NA	MeJP	NA	NA
+PJ053443	STTTKKW 	C38H62N10O12	850.4549	NA	PeJP	NA	NA
+PJ053444	KKKMMW 	C39H66N10O7S2	850.4558	NA	PeJP	NA	NA
+PJ053445	PQKHRW 	C39H58N14O8	850.4562	NA	PeJP	NA	NA
+PJ053446	GAPKHRW 	C39H58N14O8	850.4563	NA	PeJP	NA	NA
+PJ053447	STKKKEM 	C35H66N10O12S	850.4583	NA	PeJP	NA	NA
+PJ053448	LLKEYW 	C43H62N8O10	850.4589	NA	PeJP	NA	NA
+PJ053449	NKMFRR 	C36H62N14O8S	850.4596	NA	PeJP	NA	NA
+PJ053450	SPLLKMY 	C40H66N8O10S	850.4623	NA	PeJP	NA	NA
+PJ053451	TTTTTTLL 	C36H66N8O15	850.4648	NA	PeJP	NA	NA
+PJ053452	QKKERY 	C37H62N12O11	850.4661	NA	PeJP	NA	NA
+PJ053453	GGGGGKKKY 	C37H62N12O11	850.4662	NA	PeJP	NA	NA
+PJ053454	VHHFRR 	C38H58N16O7	850.4675	NA	PeJP	NA	NA
+PJ053455	STTKKMR 	C34H66N12O11S	850.4695	NA	PeJP	NA	NA
+MJ096148	Anabaenopeptin E 	C42H62N10O9	850.470123	NA	MeJP	NA	NA
+MJ096149	Anabaenopeptin F 	C42H62N10O9	850.470123	NA	MeJP	NA	NA
+PJ053456	TLLRYW 	C42H62N10O9	850.4702	NA	PeJP	NA	NA
+MJ096150	Cationomycin 	C45H70O15	850.471471	NA	MeJP	NA	NA
+PJ053457	GVLLMRY 	C39H66N10O9S	850.4735	NA	PeJP	NA	NA
+MJ096151	Phakellistatin 6 	C47H62N8O7	850.474146	NA	MeJP	NA	NA
+PJ053458	SSSTTLKK 	C35H66N10O14	850.476	NA	PeJP	NA	NA
+PJ053459	SVKKKMM 	C36H70N10O9S2	850.4769	NA	PeJP	NA	NA
+PJ053460	TQKRRY 	C36H62N14O10	850.4774	NA	PeJP	NA	NA
+PJ053461	SVLLKEY 	C40H66N8O12	850.48	NA	PeJP	NA	NA
+PJ053462	SLLLDKY 	C40H66N8O12	850.4801	NA	PeJP	NA	NA
+PJ053463	AKKRYW 	C41H62N12O8	850.4814	NA	PeJP	NA	NA
+PJ053464	LLMRRY 	C38H66N12O8S	850.4848	NA	PeJP	NA	NA
+PJ053465	GPTKHRR 	C35H62N16O9	850.4886	NA	PeJP	NA	NA
+PJ053466	SSLLLRY 	C39H66N10O11	850.4913	NA	PeJP	NA	NA
+MJ096152	Antibiotic CP 64537 	C42H74O17	850.4926	NA	MeJP	NA	NA
+MJ096153	Antibiotic CP 64593 	C42H74O17	850.4926	NA	MeJP	NA	NA
+PJ053467	PKKHRW 	C40H62N14O7	850.4926	NA	PeJP	NA	NA
+PJ053468	APLLKFY 	C44H66N8O9	850.4953	NA	PeJP	NA	NA
+PJ053469	ALLLKMY 	C41H70N8O9S	850.4987	NA	PeJP	NA	NA
+PJ053470	VQHRRR 	C34H62N18O8	850.4998	NA	PeJP	NA	NA
+PJ053471	GGLHRRR 	C34H62N18O8	850.4999	NA	PeJP	NA	NA
+PJ053472	KKKERY 	C38H66N12O10	850.5025	NA	PeJP	NA	NA
+PJ053473	VKKKYW 	C43H66N10O8	850.5065	NA	PeJP	NA	NA
+PJ053474	GLLLLHW 	C43H66N10O8	850.5066	NA	PeJP	NA	NA
+MJ096154	Cucurbita-5,24-diene-3,7,16-triol, O7-Me, 16-O-(4,6-di-O-acetyl-?-D-glucopyranoside), 3-O-?-D-xylopyranoside 	C46H74O14	850.507857	NA	MeJP	NA	NA
+MJ096155	Oleanolic acid 3-glycosides; Diglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside], 6'-butyl ester 	C46H74O14	850.507857	NA	MeJP	NA	NA
+MJ096156	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 6'-butyl ester 	C46H74O14	850.507857	NA	MeJP	NA	NA
+PJ053475	GLKKKMF 	C40H70N10O8S	850.5099	NA	PeJP	NA	NA
+PJ053476	AHRRRR 	C33H62N20O7	850.5111	NA	PeJP	NA	NA
+PJ053477	TKKRRY 	C37H66N14O9	850.5138	NA	PeJP	NA	NA
+PJ053478	TTLLLKY 	C41H70N8O11	850.5164	NA	PeJP	NA	NA
+PJ053479	GPPLLLLE 	C41H70N8O11	850.5165	NA	PeJP	NA	NA
+PJ053480	LLFFRR 	C42H66N12O7	850.5178	NA	PeJP	NA	NA
+PJ053481	GPPLRRR 	C36H66N16O8	850.525	NA	PeJP	NA	NA
+PJ053482	ATLKKKY 	C40H70N10O10	850.5277	NA	PeJP	NA	NA
+PJ053483	PPLLLLW 	C45H70N8O8	850.5317	NA	PeJP	NA	NA
+PJ053484	VKHRRR 	C35H66N18O7	850.5362	NA	PeJP	NA	NA
+PJ053485	SLLLLHR 	C39H70N12O9	850.5389	NA	PeJP	NA	NA
+MJ096157	Dianemycin; 30-Deoxy 	C47H78O13	850.544242	NA	MeJP	NA	NA
+MJ096158	Lenoremycin 	C47H78O13	850.544242	NA	MeJP	NA	NA
+PJ053486	AVLKKHR 	C38H70N14O8	850.5501	NA	PeJP	NA	NA
+PJ053487	PPVVKRR 	C38H70N14O8	850.5502	NA	PeJP	NA	NA
+PJ053488	SPPVLLLL 	C42H74N8O10	850.5528	NA	PeJP	NA	NA
+PJ053489	GPPVLLKK 	C41H74N10O9	850.5641	NA	PeJP	NA	NA
+PJ053490	PPLLKKR 	C40H74N12O8	850.5753	NA	PeJP	NA	NA
+PJ053491	GPLLLLLL 	C43H78N8O9	850.5892	NA	PeJP	NA	NA
+MJ096159	Huratoxin; 20-Octadecanoyl 	C52H82O9	850.595884	NA	MeJP	NA	NA
+HMDB05436	TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C55H94O6	850.705017	NA	HMDB2010	NA	NA
+HMDB10472	TG(18:2(9Z,12Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C55H94O6	850.705017	NA	HMDB2010	NA	NA
+HMDB10499	TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z))[iso3]	C55H94O6	850.705017	NA	HMDB2010	NA	NA
+HMDB05436	TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C55H94O6	850.70502	http://www.hmdb.ca/metabolites/HMDB05436	HMDB	NA	NA
+HMDB05436	TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C55H94O6	850.70502	HMDB05436	PFEM_hmdb_metabocards_official	NA	NA
+3555	a-hemoglobin (33-46)	FLGFPTTKTYFPHF	850.91845	MH2+	Inhouse_peptide	NA	peptide
+C00332	Acetoacetyl-CoA	C25H40N7O18P3S	851.1363	NA	KEGG	NA	NA
+MJ096160	Acetoacetyl-CoA 	C25H40N7O18P3S	851.136337	NA	MeJP	NA	NA
+MetaCyc04184	3-acetoacetyl-CoA []	C25H40N7O18P3S1	851.136338	NA	metacyc	NA	NA
+MetaCyc04185	acetoacetyl-CoA [acetoacetyl-S-CoA;]	C25H40N7O18P3S1	851.136338	1420-36-6	metacyc	NA	NA
+MetaCyc04186	OH-crotonyl-CoA []	C25H40N7O18P3S1	851.136338	NA	metacyc	NA	NA
+MetaCyc04187	ketobutyryl-CoA [K-butyryl-CoA;ketobutyrylcoenzyme-A;]	C25H40N7O18P3S1	851.136338	NA	metacyc	NA	NA
+HMDB01484	Acetoacetyl-CoA	C25H40N7O18P3S	851.13635	http://www.hmdb.ca/metabolites/HMDB01484	HMDB	NA	NA
+HMDB01484	Acetoacetyl-CoA	C25H40N7O18P3S	851.13635	HMDB01484	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01484	Acetoacetyl-CoA	C25H40N7O18P3S	851.136353	NA	HMDB2010	NA	NA
+PJ053492	SCCCCCCQ 	C26H45N9O11S6	851.1563	NA	PeJP	NA	NA
+C00888	Pentanoyl-CoA	C26H44N7O17P3S	851.1727	NA	KEGG	NA	NA
+C00889	Peptidoglycan	C26H44N7O17P3S	851.1727	NA	KEGG	NA	NA
+C00890	Polyphosphate	C26H44N7O17P3S	851.1727	NA	KEGG	NA	NA
+C01033	2-Methylbutanoyl-CoA	C26H44N7O17P3S	851.1727	NA	KEGG	NA	NA
+C02939	3-Methylbutanoyl-CoA	C26H44N7O17P3S	851.1727	NA	KEGG	NA	NA
+C15980	(S)-2-Methylbutanoyl-CoA	C26H44N7O17P3S	851.1727	NA	KEGG	NA	NA
+MJ096161	2-Methylbutanoyl-CoA 	C26H44N7O17P3S	851.172723	NA	MeJP	NA	NA
+MJ096162	3-Methylbutanoyl-CoA 	C26H44N7O17P3S	851.172723	NA	MeJP	NA	NA
+MJ096163	Pentanoyl-CoA 	C26H44N7O17P3S	851.172723	NA	MeJP	NA	NA
+MetaCyc04188	pentanoyl-CoA []	C26H44N7O17P3S1	851.172723	NA	metacyc	NA	NA
+MetaCyc04189	isovaleryl-CoA [3-methylbutyryl-CoA;3-methylbutanoyl-CoA;isovaleryl-coenzyme A;iso-valeryl-CoA;]	C26H44N7O17P3S1	851.172723	6244-91-3	metacyc	NA	NA
+MetaCyc04190	S-2-methyl-butyryl-CoA [2-methylbutyryl-CoA;&alpha;-methylbutyryl-CoA;&alpha;-methylbutanoyl-CoA;2-methylbutanoyl-CoA;]	C26H44N7O17P3S1	851.172723	NA	metacyc	NA	NA
+HMDB01041	2-Methylbutyryl-CoA	C26H44N7O17P3S	851.172729	NA	HMDB2010	NA	NA
+HMDB01113	Isovaleryl-CoA	C26H44N7O17P3S	851.172729	NA	HMDB2010	NA	NA
+HMDB01041	2-Methylbutyryl-CoA	C26H44N7O17P3S	851.17273	http://www.hmdb.ca/metabolites/HMDB01041	HMDB	NA	NA
+HMDB01113	Isovaleryl-CoA	C26H44N7O17P3S	851.17273	http://www.hmdb.ca/metabolites/HMDB01113	HMDB	NA	NA
+HMDB02191	a-Methylbutyryl-CoA	C26H44N7O17P3S	851.17273	http://www.hmdb.ca/metabolites/HMDB02191	HMDB	NA	NA
+HMDB01041	2-Methylbutyryl-CoA	C26H44N7O17P3S	851.17273	HMDB01041	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01113	Isovaleryl-CoA	C26H44N7O17P3S	851.17273	HMDB01113	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02191	a-Methylbutyryl-CoA	C26H44N7O17P3S	851.17273	HMDB02191	PFEM_hmdb_metabocards_official	NA	NA
+PJ053493	GSSSCCCCC 	C26H45N9O13S5	851.1741	NA	PeJP	NA	NA
+PJ053494	GCCCCCNF 	C30H45N9O10S5	851.1893	NA	PeJP	NA	NA
+PJ053495	SCCCCCCK 	C27H49N9O10S6	851.1927	NA	PeJP	NA	NA
+PJ053496	CCCDDMY 	C31H45N7O13S4	851.1959	NA	PeJP	NA	NA
+PJ053497	CCCMMMM 	C29H53N7O8S7	851.2001	NA	PeJP	NA	NA
+PJ053498	GSCCCCNY 	C30H45N9O12S4	851.2071	NA	PeJP	NA	NA
+PJ053499	CCCDMMF 	C32H49N7O10S5	851.2145	NA	PeJP	NA	NA
+PJ053500	CCDDEMH 	C30H45N9O14S3	851.2249	NA	PeJP	NA	NA
+PJ053501	CCCDDFF 	C35H45N7O12S3	851.2289	NA	PeJP	NA	NA
+PJ053502	DDDDDEE 	C30H41N7O22	851.2305	NA	PeJP	NA	NA
+PJ053503	SCCDMMY 	C32H49N7O12S4	851.2322	NA	PeJP	NA	NA
+PJ053504	CCCCHHF 	C33H45N11O8S4	851.2336	NA	PeJP	NA	NA
+PJ053505	GSCCCNEH 	C29H45N11O13S3	851.2361	NA	PeJP	NA	NA
+PJ053506	GSNDDDDD 	C29H41N9O21	851.2417	NA	PeJP	NA	NA
+PJ053507	GGGSDDDDD 	C29H41N9O21	851.2418	NA	PeJP	NA	NA
+PJ053508	GPCCNDDE 	C30H45N9O16S2	851.2426	NA	PeJP	NA	NA
+PJ053509	GCCDEYY 	C35H45N7O14S2	851.2466	NA	PeJP	NA	NA
+PJ053510	ACCMMMY 	C33H53N7O9S5	851.2509	NA	PeJP	NA	NA
+PJ053511	SCCCNHW 	C33H45N11O10S3	851.2513	NA	PeJP	NA	NA
+PJ053512	SSSCCNDH 	C29H45N11O15S2	851.2538	NA	PeJP	NA	NA
+PJ053513	CCNNMMH 	C30H49N11O10S4	851.2547	NA	PeJP	NA	NA
+PJ053514	PCCNDDW 	C34H45N9O13S2	851.2579	NA	PeJP	NA	NA
+PJ053515	NNDDDEM 	C30H45N9O18S	851.2604	NA	PeJP	NA	NA
+PJ053516	SCDEMMH 	C31H49N9O13S3	851.2612	NA	PeJP	NA	NA
+PJ053517	CCDYYW 	C39H45N7O11S2	851.2619	NA	PeJP	NA	NA
+PJ053518	PCCMMMH 	C32H53N9O8S5	851.2621	NA	PeJP	NA	NA
+PJ053519	SSCDDYY 	C35H45N7O16S	851.2644	NA	PeJP	NA	NA
+PJ053520	GCCNNNNN 	C28H45N13O14S2	851.2651	NA	PeJP	NA	NA
+PJ053521	PTCCCYY 	C36H49N7O11S3	851.2652	NA	PeJP	NA	NA
+PJ053522	GCCEMFY 	C36H49N7O11S3	851.2653	NA	PeJP	NA	NA
+PJ053523	CCCCQHR 	C29H49N13O9S4	851.2659	NA	PeJP	NA	NA
+PJ053524	GACCCCHR 	C29H49N13O9S4	851.266	NA	PeJP	NA	NA
+PJ053525	SDDEEEE 	C31H45N7O21	851.2669	NA	PeJP	NA	NA
+PJ053526	PDDDEMM 	C32H49N7O16S2	851.2678	NA	PeJP	NA	NA
+PJ053527	SSCMMMY 	C33H53N7O11S4	851.2686	NA	PeJP	NA	NA
+PJ053528	CCNNDHF 	C33H45N11O12S2	851.2691	NA	PeJP	NA	NA
+PJ053529	CNDDDDR 	C29H45N11O17S	851.2716	NA	PeJP	NA	NA
+PJ053530	GSSCCQMH 	C30H49N11O12S3	851.2725	NA	PeJP	NA	NA
+PJ053531	GNDDDMW 	C34H45N9O15S	851.2756	NA	PeJP	NA	NA
+PJ053532	GSPPCCCW 	C35H49N9O10S3	851.2765	NA	PeJP	NA	NA
+PJ053533	GSSNDDEE 	C30H45N9O20	851.2781	NA	PeJP	NA	NA
+PJ053534	GSPCNDEM 	C31H49N9O15S2	851.279	NA	PeJP	NA	NA
+PJ053535	GDMMMMH 	C32H53N9O10S4	851.2799	NA	PeJP	NA	NA
+PJ053536	SCCEHHH 	C32H45N13O11S2	851.2803	NA	PeJP	NA	NA
+PJ053537	CCMFYW 	C40H49N7O8S3	851.2805	NA	PeJP	NA	NA
+PJ053538	PDDDDEF 	C35H45N7O18	851.2821	NA	PeJP	NA	NA
+PJ053539	GSCEMYY 	C36H49N7O13S2	851.283	NA	PeJP	NA	NA
+PJ053540	GSSCCCHR 	C29H49N13O11S3	851.2837	NA	PeJP	NA	NA
+PJ053541	ACCMMFF 	C37H53N7O8S4	851.2839	NA	PeJP	NA	NA
+PJ053542	GEEEEEM 	C32H49N7O18S	851.2855	NA	PeJP	NA	NA
+PJ053543	SCNNNDW 	C33H45N11O14S	851.2868	NA	PeJP	NA	NA
+PJ053544	GGSCNNDW 	C33H45N11O14S	851.2869	NA	PeJP	NA	NA
+PJ053545	SSSNNNDD 	C29H45N11O19	851.2893	NA	PeJP	NA	NA
+PJ053546	GGSSSNNDD 	C29H45N11O19	851.2894	NA	PeJP	NA	NA
+PJ053547	GSPCCDDR 	C30H49N11O14S2	851.2902	NA	PeJP	NA	NA
+PJ053548	GGGGGGGGDMM 	C30H49N11O14S2	851.2903	NA	PeJP	NA	NA
+PJ053549	CNDEWW 	C38H45N9O12S	851.2909	NA	PeJP	NA	NA
+PJ053550	APPCCCCR 	C31H53N11O9S4	851.2911	NA	PeJP	NA	NA
+PJ053551	SSNDDEW 	C34H45N9O17	851.2934	NA	PeJP	NA	NA
+PJ053552	SPCNDMW 	C35H49N9O12S2	851.2942	NA	PeJP	NA	NA
+PJ053553	GGSPCDMW 	C35H49N9O12S2	851.2943	NA	PeJP	NA	NA
+PJ053554	SNNEEEM 	C31H49N9O17S	851.2967	NA	PeJP	NA	NA
+PJ053555	GGSNEEEM 	C31H49N9O17S	851.2968	NA	PeJP	NA	NA
+PJ053556	NDDYYY 	C39H45N7O15	851.2974	NA	PeJP	NA	NA
+PJ053557	SSEMMMH 	C32H53N9O12S3	851.2976	NA	PeJP	NA	NA
+PJ053558	SCMYYW 	C40H49N7O10S2	851.2983	NA	PeJP	NA	NA
+PJ053559	GCMMHHH 	C33H49N13O8S3	851.299	NA	PeJP	NA	NA
+MJ096164	Perdeacylalatusamine; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO17	851.300049	NA	MeJP	NA	NA
+MJ096165	Perdeacylchuchuhuanine; 1-Benzoyl, 2,6,8,9,14-penta-Ac 	C43H49NO17	851.300049	NA	MeJP	NA	NA
+MJ096166	Perdeacylchuchuhuanine; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO17	851.300049	NA	MeJP	NA	NA
+MJ096167	Perdeacylchuchuhuanine; 8-Epimer, 1-benzoyl, 2,6,8,9,14-penta-Ac 	C43H49NO17	851.300049	NA	MeJP	NA	NA
+PJ053560	SSTCEYY 	C36H49N7O15S	851.3007	NA	PeJP	NA	NA
+PJ053561	EEEEMW 	C36H49N7O15S	851.3008	NA	PeJP	NA	NA
+PJ053562	CCNNNER 	C29H49N13O13S2	851.3015	NA	PeJP	NA	NA
+PJ053563	NMMMYY 	C37H53N7O10S3	851.3016	NA	PeJP	NA	NA
+PJ053564	CCCCKHR 	C30H53N13O8S4	851.3023	NA	PeJP	NA	NA
+PJ053565	STEEEEE 	C32H49N7O20	851.3033	NA	PeJP	NA	NA
+PJ053566	SPEEEMM 	C33H53N7O15S2	851.3041	NA	PeJP	NA	NA
+PJ053567	NNNNDDF 	C33H45N11O16	851.3046	NA	PeJP	NA	NA
+PJ053568	PPDMMMM 	C34H57N7O10S4	851.305	NA	PeJP	NA	NA
+PJ053569	GCNNQMW 	C34H49N11O11S2	851.3055	NA	PeJP	NA	NA
+PJ053570	GCDWWW 	C42H45N9O9S	851.3061	NA	PeJP	NA	NA
+PJ053571	SNDDDMR 	C30H49N11O16S	851.308	NA	PeJP	NA	NA
+PJ053572	GSSDDWW 	C38H45N9O14	851.3086	NA	PeJP	NA	NA
+PJ053573	SSPPCCCR 	C31H53N11O11S3	851.3088	NA	PeJP	NA	NA
+PJ053574	PCCNEMR 	C31H53N11O11S3	851.3089	NA	PeJP	NA	NA
+PJ053575	CNNNNHH 	C31H45N15O12S	851.3093	NA	PeJP	NA	NA
+PJ053576	GGGGGGGGCHH 	C31H45N15O12S	851.3094	NA	PeJP	NA	NA
+PJ053577	GPTCCWW 	C39H49N9O9S2	851.3095	NA	PeJP	NA	NA
+PJ053578	GSNEEMW 	C35H49N9O14S	851.312	NA	PeJP	NA	NA
+PJ053579	GPCQMMW 	C36H53N9O9S3	851.3129	NA	PeJP	NA	NA
+PJ053580	GCDHHHF 	C36H45N13O10S	851.3133	NA	PeJP	NA	NA
+PJ053581	CCFFFW 	C44H49N7O7S2	851.3135	NA	PeJP	NA	NA
+PJ053582	GSSSQEEE 	C31H49N9O19	851.3145	NA	PeJP	NA	NA
+MJ096168	Taxol?; 10-De-Ac, 10-ketone, 7-Ac 	C47H49NO14	851.315305	NA	MeJP	NA	NA
+PJ053583	GQQEEMM 	C32H53N9O14S2	851.3154	NA	PeJP	NA	NA
+PJ053584	SNNDEHH 	C32H45N13O15	851.3158	NA	PeJP	NA	NA
+PJ053585	GGSNDEHH 	C32H45N13O15	851.3159	NA	PeJP	NA	NA
+PJ053586	GSPCYYY 	C40H49N7O12S	851.316	NA	PeJP	NA	NA
+PJ053587	ATMMMMH 	C33H57N9O9S4	851.3162	NA	PeJP	NA	NA
+PJ053588	APPCCCKM 	C33H57N9O9S4	851.3163	NA	PeJP	NA	NA
+PJ053589	GCCNNRW 	C33H49N13O10S2	851.3167	NA	PeJP	NA	NA
+PJ053590	GPEEEEY 	C36H49N7O17	851.3185	NA	PeJP	NA	NA
+PJ053591	GSSCNNDR 	C29H49N13O15S	851.3192	NA	PeJP	NA	NA
+PJ053592	GSTMMYY 	C37H53N7O12S2	851.3194	NA	PeJP	NA	NA
+PJ053593	DEEHHW 	C37H45N11O13	851.3199	NA	PeJP	NA	NA
+PJ053594	PCCCDRR 	C30H53N13O10S3	851.3201	NA	PeJP	NA	NA
+PJ053595	SVEEEEM 	C33H53N7O17S	851.3219	NA	PeJP	NA	NA
+PJ053596	PVDEMMM 	C34H57N7O12S3	851.3228	NA	PeJP	NA	NA
+PJ053597	GSCDERW 	C34H49N11O13S	851.3232	NA	PeJP	NA	NA
+PJ053598	GGGGGGSSMW 	C34H49N11O13S	851.3233	NA	PeJP	NA	NA
+PJ053599	GPCCMRW 	C35H53N11O8S3	851.3241	NA	PeJP	NA	NA
+PJ053600	GSSSDDER 	C30H49N11O18	851.3257	NA	PeJP	NA	NA
+PJ053601	GGGGGGSSSTE 	C30H49N11O18	851.3258	NA	PeJP	NA	NA
+PJ053602	GNDEMMR 	C31H53N11O13S2	851.3266	NA	PeJP	NA	NA
+PJ053603	SSSPCWW 	C39H49N9O11S	851.3272	NA	PeJP	NA	NA
+PJ053604	SNEMWW 	C39H49N9O11S	851.3273	NA	PeJP	NA	NA
+PJ053605	CCCKKMH 	C32H57N11O8S4	851.3275	NA	PeJP	NA	NA
+PJ053606	SSSQEEW 	C35H49N9O16	851.3297	NA	PeJP	NA	NA
+PJ053607	GGSSTEEW 	C35H49N9O16	851.3298	NA	PeJP	NA	NA
+PJ053608	QQEMMW 	C36H53N9O11S2	851.3306	NA	PeJP	NA	NA
+PJ053609	GSNDHHW 	C36H45N13O12	851.3311	NA	PeJP	NA	NA
+PJ053610	ACFYYW 	C44H49N7O9S	851.3313	NA	PeJP	NA	NA
+PJ053611	SNDKEEM 	C32H53N9O16S	851.3331	NA	PeJP	NA	NA
+PJ053612	PEEEYW 	C40H49N7O14	851.3338	NA	PeJP	NA	NA
+PJ053613	TTTMMMH 	C33H57N9O11S3	851.334	NA	PeJP	NA	NA
+PJ053614	GNQEMHH 	C33H49N13O12S	851.3345	NA	PeJP	NA	NA
+PJ053615	NMMFFY 	C41H53N7O9S2	851.3346	NA	PeJP	NA	NA
+PJ053616	GGMMFFY 	C41H53N7O9S2	851.3347	NA	PeJP	NA	NA
+PJ053617	SSTTMYY 	C37H53N7O14S	851.3371	NA	PeJP	NA	NA
+PJ053618	SPPEEMY 	C37H53N7O14S	851.3372	NA	PeJP	NA	NA
+PJ053619	GCDDMRR 	C30H53N13O12S2	851.3378	NA	PeJP	NA	NA
+PJ053620	GGGGSCQMR 	C30H53N13O12S2	851.3379	NA	PeJP	NA	NA
+PJ053621	SCDRWW 	C38H49N11O10S	851.3385	NA	PeJP	NA	NA
+PJ053622	ALEEEMM 	C34H57N7O14S2	851.3405	NA	PeJP	NA	NA
+PJ053623	SSSDDRW 	C34H49N11O15	851.341	NA	PeJP	NA	NA
+PJ053624	NDMMRW 	C35H53N11O10S2	851.3419	NA	PeJP	NA	NA
+PJ053625	GSMWWW 	C43H49N9O8S	851.3425	NA	PeJP	NA	NA
+PJ053626	SSNEEMR 	C31H53N11O15S	851.3444	NA	PeJP	NA	NA
+MJ096169	Pacidamycin 3 	C39H49N9O13	851.344982	NA	MeJP	NA	NA
+PJ053627	GSSTEWW 	C39H49N9O13	851.345	NA	PeJP	NA	NA
+PJ053628	SPCQMMR 	C32H57N11O10S3	851.3452	NA	PeJP	NA	NA
+PJ053629	GGGPCCCKK 	C32H57N11O10S3	851.3453	NA	PeJP	NA	NA
+PJ053630	GCNEHHR 	C32H49N15O11S	851.3457	NA	PeJP	NA	NA
+PJ053631	AQMMWW 	C40H53N9O8S2	851.3459	NA	PeJP	NA	NA
+PJ053632	GSDKEMW 	C36H53N9O13S	851.3484	NA	PeJP	NA	NA
+PJ053633	GTYYYW 	C44H49N7O11	851.349	NA	PeJP	NA	NA
+PJ053634	SCCNNRR 	C29H53N15O11S2	851.3491	NA	PeJP	NA	NA
+PJ053635	GPCKMMW 	C37H57N9O8S3	851.3493	NA	PeJP	NA	NA
+PJ053636	NQMHHW 	C37H49N13O9S	851.3497	NA	PeJP	NA	NA
+PJ053637	GSSSKEEE 	C32H53N9O18	851.3509	NA	PeJP	NA	NA
+PJ053638	GQKEEMM 	C33H57N9O13S2	851.3518	NA	PeJP	NA	NA
+PJ053639	GNNNDRY 	C33H49N13O14	851.3522	NA	PeJP	NA	NA
+PJ053640	GGGGGGGDRY 	C33H49N13O14	851.3523	NA	PeJP	NA	NA
+PJ053641	VNMYYY 	C41H53N7O11S	851.3524	NA	PeJP	NA	NA
+PJ053642	CCERRW 	C34H53N13O9S2	851.3531	NA	PeJP	NA	NA
+PJ053643	GNNHHHH 	C34H45N17O10	851.3536	NA	PeJP	NA	NA
+PJ053644	SPVEEEY 	C37H53N7O16	851.3549	NA	PeJP	NA	NA
+PJ053645	SSCDERR 	C30H53N13O14S	851.3556	NA	PeJP	NA	NA
+PJ053646	PPVDMMY 	C38H57N7O11S2	851.3558	NA	PeJP	NA	NA
+PJ053647	NNQQYW 	C38H49N11O12	851.3562	NA	PeJP	NA	NA
+PJ053648	GGGGQQYW 	C38H49N11O12	851.3563	NA	PeJP	NA	NA
+PJ053649	SPCCMRR 	C31H57N13O9S3	851.3565	NA	PeJP	NA	NA
+PJ053650	ACMRWW 	C39H53N11O7S2	851.3571	NA	PeJP	NA	NA
+PJ053651	TTLEEEM 	C34H57N7O16S	851.3583	NA	PeJP	NA	NA
+PJ053652	PTLEMMM 	C35H61N7O11S3	851.3591	NA	PeJP	NA	NA
+PJ053653	GSSEMRW 	C35H53N11O12S	851.3596	NA	PeJP	NA	NA
+PJ053654	GGGGGGGGVMF 	C35H53N11O12S	851.3597	NA	PeJP	NA	NA
+PJ053655	SSTWWW 	C43H49N9O10	851.3603	NA	PeJP	NA	NA
+PJ053656	MMMHFR 	C36H57N11O7S3	851.3605	NA	PeJP	NA	NA
+PJ053657	CNHHRW 	C36H49N15O8S	851.361	NA	PeJP	NA	NA
+PJ053658	GSSSTEER 	C31H53N11O17	851.3621	NA	PeJP	NA	NA
+PJ053659	GTQEMMR 	C32H57N11O12S2	851.363	NA	PeJP	NA	NA
+PJ053660	SSNDHHR 	C32H49N15O13	851.3635	NA	PeJP	NA	NA
+PJ053661	SDKMWW 	C40H53N9O10S	851.3636	NA	PeJP	NA	NA
+PJ053662	GGAAPMYW 	C40H53N9O10S	851.3637	NA	PeJP	NA	NA
+PJ053663	SSSKEEW 	C36H53N9O15	851.3661	NA	PeJP	NA	NA
+PJ053664	GGGLQEEY 	C36H53N9O15	851.3662	NA	PeJP	NA	NA
+PJ053665	QKEMMW 	C37H57N9O10S2	851.367	NA	PeJP	NA	NA
+PJ053666	GSTQHHW 	C37H49N13O11	851.3675	NA	PeJP	NA	NA
+PJ053667	NMFFFF 	C45H53N7O8S	851.3677	NA	PeJP	NA	NA
+PJ053668	STQKEEM 	C33H57N9O15S	851.3695	NA	PeJP	NA	NA
+PJ053669	AATTYYY 	C41H53N7O13	851.3701	NA	PeJP	NA	NA
+PJ053670	LEEEFW 	C41H53N7O13	851.3702	NA	PeJP	NA	NA
+PJ053671	SPQKMMM 	C34H61N9O10S3	851.3704	NA	PeJP	NA	NA
+PJ053672	ACNNQFR 	C34H53N13O11S	851.3708	NA	PeJP	NA	NA
+PJ053673	GNNNMFR 	C34H53N13O11S	851.3709	NA	PeJP	NA	NA
+PJ053674	PEHHFW 	C42H49N11O9	851.3715	NA	PeJP	NA	NA
+PJ053675	SSSSSNQR 	C30H53N13O16	851.3733	NA	PeJP	NA	NA
+PJ053676	GGSSSSSQR 	C30H53N13O16	851.3734	NA	PeJP	NA	NA
+PJ053677	APLEEMY 	C38H57N7O13S	851.3735	NA	PeJP	NA	NA
+PJ053678	GSDMMRR 	C31H57N13O11S2	851.3742	NA	PeJP	NA	NA
+PJ053679	PPVMMMF 	C39H61N7O8S3	851.3744	NA	PeJP	NA	NA
+PJ053680	SSMRWW 	C39H53N11O9S	851.3749	NA	PeJP	NA	NA
+PJ053681	QFWWW 	C47H49N9O7	851.3755	NA	PeJP	NA	NA
+PJ053682	SLLEEMM 	C35H61N7O13S2	851.3769	NA	PeJP	NA	NA
+PJ053683	SSSTERW 	C35H53N11O14	851.3774	NA	PeJP	NA	NA
+PJ053684	PVLMMMM 	C36H65N7O8S4	851.3778	NA	PeJP	NA	NA
+PJ053685	TQMMRW 	C36H57N11O9S2	851.3782	NA	PeJP	NA	NA
+PJ053686	GATMMRW 	C36H57N11O9S2	851.3783	NA	PeJP	NA	NA
+PJ053687	GVEHHHH 	C36H49N15O10	851.3787	NA	PeJP	NA	NA
+PJ053688	CLHFFW 	C44H53N9O7S	851.3789	NA	PeJP	NA	NA
+PJ053689	STTQEMR 	C32H57N11O14S	851.3807	NA	PeJP	NA	NA
+PJ053690	SSDKEMR 	C32H57N11O14S	851.3808	NA	PeJP	NA	NA
+PJ053691	SSSSLWW 	C40H53N9O12	851.3814	NA	PeJP	NA	NA
+PJ053692	GVQMMMR 	C33H61N11O9S3	851.3816	NA	PeJP	NA	NA
+PJ053693	GSQMHHR 	C33H53N15O10S	851.3821	NA	PeJP	NA	NA
+PJ053694	AKMMWW 	C41H57N9O7S2	851.3823	NA	PeJP	NA	NA
+PJ053695	QHHHFF 	C41H49N13O8	851.3827	NA	PeJP	NA	NA
+PJ053696	GAHHHFF 	C41H49N13O8	851.3828	NA	PeJP	NA	NA
+PJ053697	GTTKEMW 	C37H57N9O12S	851.3848	NA	PeJP	NA	NA
+PJ053698	VNFFYY 	C45H53N7O10	851.3854	NA	PeJP	NA	NA
+PJ053699	GPPCHRW 	C38H53N13O8S	851.3861	NA	PeJP	NA	NA
+PJ053700	GSTTTKEE 	C33H57N9O17	851.3873	NA	PeJP	NA	NA
+PJ053701	ADKKEMM 	C34H61N9O12S2	851.3881	NA	PeJP	NA	NA
+PJ053702	GKKEEMM 	C34H61N9O12S2	851.3882	NA	PeJP	NA	NA
+PJ053703	NDERRY 	C34H53N13O13	851.3886	NA	PeJP	NA	NA
+PJ053704	CLKYYY 	C42H57N7O10S	851.3888	NA	PeJP	NA	NA
+PJ053705	TCMRRW 	C35H57N13O8S2	851.3895	NA	PeJP	NA	NA
+PJ053706	EHHHHR 	C35H49N17O9	851.39	NA	PeJP	NA	NA
+PJ053707	GLLEEEY 	C38H57N7O15	851.3913	NA	PeJP	NA	NA
+PJ053708	SSSEMRR 	C31H57N13O13S	851.392	NA	PeJP	NA	NA
+PJ053709	PPTLMMY 	C39H61N7O10S2	851.3922	NA	PeJP	NA	NA
+PJ053710	AQERYW 	C39H53N11O11	851.3926	NA	PeJP	NA	NA
+PJ053711	GGGGGAKYW 	C39H53N11O11	851.3927	NA	PeJP	NA	NA
+PJ053712	QMMMRR 	C32H61N13O8S3	851.3929	NA	PeJP	NA	NA
+PJ053713	GSCHHRR 	C32H53N17O9S	851.3933	NA	PeJP	NA	NA
+PJ053714	VHHHHW 	C40H49N15O7	851.394	NA	PeJP	NA	NA
+PJ053715	VVLEMMM 	C36H65N7O10S3	851.3955	NA	PeJP	NA	NA
+PJ053716	GTTTMRW 	C36H57N11O11S	851.396	NA	PeJP	NA	NA
+PJ053717	GLQYWW 	C44H53N9O9	851.3967	NA	PeJP	NA	NA
+PJ053718	SSSSSLER 	C32H57N11O16	851.3985	NA	PeJP	NA	NA
+PJ053719	GTKEMMR 	C33H61N11O11S2	851.3994	NA	PeJP	NA	NA
+PJ053720	SSTQHHR 	C33H53N15O12	851.3998	NA	PeJP	NA	NA
+PJ053721	GPDDHRR 	C33H53N15O12	851.3999	NA	PeJP	NA	NA
+PJ053722	TTKMWW 	C41H57N9O9S	851.4	NA	PeJP	NA	NA
+PJ053723	STTTKEW 	C37H57N9O14	851.4025	NA	PeJP	NA	NA
+PJ053724	GGGPPPLEE 	C37H57N9O14	851.4026	NA	PeJP	NA	NA
+PJ053725	KKEMMW 	C38H61N9O9S2	851.4034	NA	PeJP	NA	NA
+PJ053726	GDRRYW 	C38H53N13O10	851.4039	NA	PeJP	NA	NA
+PJ053727	CMMRRR 	C31H61N15O7S3	851.4041	NA	PeJP	NA	NA
+PJ053728	STKKEEM 	C34H61N9O14S	851.4059	NA	PeJP	NA	NA
+PJ053729	APPLEYY 	C42H57N7O12	851.4065	NA	PeJP	NA	NA
+PJ053730	LLEEYW 	C42H57N7O12	851.4066	NA	PeJP	NA	NA
+PJ053731	SPKKMMM 	C35H65N9O9S3	851.4068	NA	PeJP	NA	NA
+PJ053732	GPTCRRY 	C35H57N13O10S	851.4072	NA	PeJP	NA	NA
+PJ053733	GGEMFRR 	C35H57N13O10S	851.4073	NA	PeJP	NA	NA
+PJ053734	AARYWW 	C43H53N11O8	851.4079	NA	PeJP	NA	NA
+PJ053735	SSSSSNKR 	C31H57N13O15	851.4097	NA	PeJP	NA	NA
+PJ053736	SPLLEMY 	C39H61N7O12S	851.4099	NA	PeJP	NA	NA
+PJ053737	GTTMMRR 	C32H61N13O10S2	851.4106	NA	PeJP	NA	NA
+PJ053738	PCKRYW 	C40H57N11O8S	851.4113	NA	PeJP	NA	NA
+PJ053739	KFWWW 	C48H53N9O6	851.4119	NA	PeJP	NA	NA
+PJ053740	STTTTRW 	C36H57N11O13	851.4138	NA	PeJP	NA	NA
+PJ053741	TKMMRW 	C37H61N11O8S2	851.4146	NA	PeJP	NA	NA
+PJ053742	QQHHFR 	C37H53N15O9	851.4151	NA	PeJP	NA	NA
+PJ053743	STTKEMR 	C33H61N11O13S	851.4171	NA	PeJP	NA	NA
+PJ053744	VQKEYW 	C41H57N9O11	851.4178	NA	PeJP	NA	NA
+PJ053745	GVKMMMR 	C34H65N11O8S3	851.418	NA	PeJP	NA	NA
+PJ053746	CDFRRR 	C34H57N15O9S	851.4185	NA	PeJP	NA	NA
+PJ053747	APHRWW 	C42H53N13O7	851.4191	NA	PeJP	NA	NA
+PJ053748	SSTLKMW 	C38H61N9O11S	851.4211	NA	PeJP	NA	NA
+PJ053749	GPKKEMY 	C38H61N9O11S	851.4212	NA	PeJP	NA	NA
+PJ053750	TKFFFY 	C46H57N7O9	851.4218	NA	PeJP	NA	NA
+PJ053751	GMFRRW 	C39H57N13O7S	851.4225	NA	PeJP	NA	NA
+PJ053752	ATTTTTKE 	C34H61N9O16	851.4236	NA	PeJP	NA	NA
+PJ053753	SSSTTLKE 	C34H61N9O16	851.4237	NA	PeJP	NA	NA
+PJ053754	SVKKEMM 	C35H65N9O11S2	851.4245	NA	PeJP	NA	NA
+PJ053755	TQERRY 	C35H57N13O12	851.425	NA	PeJP	NA	NA
+PJ053756	PPVVMFY 	C43H61N7O9S	851.4252	NA	PeJP	NA	NA
+PJ053757	SVLLEEY 	C39H61N7O14	851.4277	NA	PeJP	NA	NA
+PJ053758	STTTMRR 	C32H61N13O12S	851.4284	NA	PeJP	NA	NA
+PJ053759	PVVLMMY 	C40H65N7O9S2	851.4286	NA	PeJP	NA	NA
+PJ053760	AKERYW 	C40H57N11O10	851.429	NA	PeJP	NA	NA
+PJ053761	KMMMRR 	C33H65N13O7S3	851.4292	NA	PeJP	NA	NA
+PJ053762	TLLLMMM 	C37H69N7O9S3	851.4319	NA	PeJP	NA	NA
+PJ053763	GPTKMRY 	C37H61N11O10S	851.4324	NA	PeJP	NA	NA
+PJ053764	GLKYWW 	C45H57N9O8	851.433	NA	PeJP	NA	NA
+PJ053765	GAPKFFW 	C45H57N9O8	851.4331	NA	PeJP	NA	NA
+PJ053766	SSSTTTLR 	C33H61N11O15	851.4349	NA	PeJP	NA	NA
+PJ053767	SSLKMMR 	C34H65N11O10S2	851.4358	NA	PeJP	NA	NA
+PJ053768	SDRRRY 	C34H57N15O11	851.4362	NA	PeJP	NA	NA
+PJ053769	GGGGSPKHR 	C34H57N15O11	851.4363	NA	PeJP	NA	NA
+PJ053770	PKKMYW 	C42H61N9O8S	851.4364	NA	PeJP	NA	NA
+PJ053771	GVKKEEY 	C38H61N9O13	851.4389	NA	PeJP	NA	NA
+PJ053772	APKKMMF 	C39H65N9O8S2	851.4398	NA	PeJP	NA	NA
+PJ053773	ATRRYW 	C39H57N13O9	851.4403	NA	PeJP	NA	NA
+PJ053774	SSSSLLKM 	C35H65N9O13S	851.4423	NA	PeJP	NA	NA
+PJ053775	SPPLLYY 	C43H61N7O11	851.4429	NA	PeJP	NA	NA
+PJ053776	ALKKMMM 	C36H69N9O8S3	851.4432	NA	PeJP	NA	NA
+PJ053777	VQMRRY 	C36H61N13O9S	851.4436	NA	PeJP	NA	NA
+PJ053778	PVKHWW 	C44H57N11O7	851.4443	NA	PeJP	NA	NA
+PJ053779	ALLLEMY 	C40H65N7O11S	851.4463	NA	PeJP	NA	NA
+PJ053780	SCCKKKR 	C33H65N13O9S2	851.447	NA	PeJP	NA	NA
+PJ053781	QQQHRR 	C33H57N17O10	851.4475	NA	PeJP	NA	NA
+PJ053782	CLKFRW 	C41H61N11O7S	851.4477	NA	PeJP	NA	NA
+PJ053783	ASVKERY 	C37H61N11O12	851.4501	NA	PeJP	NA	NA
+PJ053784	KKEERY 	C37H61N11O12	851.4502	NA	PeJP	NA	NA
+PJ053785	PTHRRW 	C38H57N15O8	851.4515	NA	PeJP	NA	NA
+PJ053786	GSSSKKKM 	C34H65N11O12S	851.4535	NA	PeJP	NA	NA
+PJ053787	VKKEYW 	C42H61N9O10	851.4542	NA	PeJP	NA	NA
+PJ053788	AMRRRY 	C35H61N15O8S	851.4549	NA	PeJP	NA	NA
+PJ053789	SPVKKMY 	C39H65N9O10S	851.4575	NA	PeJP	NA	NA
+PJ053790	GGALLKMY 	C39H65N9O10S	851.4576	NA	PeJP	NA	NA
+PJ053791	PPVVFFF 	C47H61N7O8	851.4582	NA	PeJP	NA	NA
+PJ053792	NNHRRR 	C32H57N19O9	851.4587	NA	PeJP	NA	NA
+PJ053793	STTTTTLK 	C35H65N9O15	851.46	NA	PeJP	NA	NA
+PJ053794	TTLKKMM 	C36H69N9O10S2	851.4609	NA	PeJP	NA	NA
+PJ053795	TKERRY 	C36H61N13O11	851.4614	NA	PeJP	NA	NA
+PJ053796	PVVLMFF 	C44H65N7O8S	851.4616	NA	PeJP	NA	NA
+PJ053797	TTLLLEY 	C40H65N7O13	851.4641	NA	PeJP	NA	NA
+PJ053798	VVLLMMF 	C41H69N7O8S2	851.4649	NA	PeJP	NA	NA
+MJ096170	Helix aspersa Peptide Ha 4 	C41H61N11O9	851.465372	NA	MeJP	NA	NA
+PJ053799	SLKRYW 	C41H61N11O9	851.4654	NA	PeJP	NA	NA
+PJ053800	PMHRRR 	C34H61N17O7S	851.4661	NA	PeJP	NA	NA
+PJ053801	AALKMRY 	C38H65N11O9S	851.4688	NA	PeJP	NA	NA
+PJ053802	PKKFFW 	C46H61N9O7	851.4694	NA	PeJP	NA	NA
+PJ053803	SSSSTKKK 	C34H65N11O14	851.4713	NA	PeJP	NA	NA
+PJ053804	SCKKKKM 	C35H69N11O9S2	851.4722	NA	PeJP	NA	NA
+PJ053805	TTRRRY 	C35H61N15O10	851.4726	NA	PeJP	NA	NA
+PJ053806	LKKMFW 	C43H65N9O7S	851.4728	NA	PeJP	NA	NA
+PJ053807	ATLKKEY 	C39H65N9O12	851.4753	NA	PeJP	NA	NA
+PJ053808	LLQHRW 	C40H61N13O8	851.4766	NA	PeJP	NA	NA
+PJ053809	GALLHRW 	C40H61N13O8	851.4767	NA	PeJP	NA	NA
+PJ053810	APLLLYY 	C44H65N7O10	851.4793	NA	PeJP	NA	NA
+PJ053811	VKMRRY 	C37H65N13O8S	851.48	NA	PeJP	NA	NA
+MJ096171	Chivosazole E; 2',3'-Di-Me ether 	C48H69NO12	851.481976	NA	MeJP	NA	NA
+C15729	Chivosazole B	C48H69NO12	851.482	NA	KEGG	NA	NA
+PJ053812	SLLLLMY 	C41H69N7O10S	851.4827	NA	PeJP	NA	NA
+PJ053813	VEHRRR 	C34H61N17O9	851.4839	NA	PeJP	NA	NA
+PJ053814	ATTLKRY 	C38H65N11O11	851.4865	NA	PeJP	NA	NA
+PJ053815	AAPPVLER 	C38H65N11O11	851.4866	NA	PeJP	NA	NA
+PJ053816	VVHRRW 	C39H61N15O7	851.4879	NA	PeJP	NA	NA
+PJ053817	PPVLLQW 	C43H65N9O9	851.4906	NA	PeJP	NA	NA
+PJ053818	GLLKKMY 	C40H69N9O9S	851.4939	NA	PeJP	NA	NA
+PJ053819	PPVVERR 	C37H65N13O10	851.4978	NA	PeJP	NA	NA
+PJ053820	APPLLRW 	C42H65N11O8	851.5018	NA	PeJP	NA	NA
+C10796	alpha-Chaconine	C45H73NO14	851.5031	NA	KEGG	NA	NA
+MJ096172	Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-O-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyanoside] 	C45H73NO14	851.503106	NA	MeJP	NA	NA
+MJ096173	Georgamide 	C46H69N5O10	851.504443	NA	MeJP	NA	NA
+PJ053821	ACKKKKF 	C39H69N11O8S	851.5052	NA	PeJP	NA	NA
+PJ053822	GTLLHRR 	C36H65N15O9	851.509	NA	PeJP	NA	NA
+PJ053823	STLLKKY 	C40H69N9O11	851.5117	NA	PeJP	NA	NA
+PJ053824	LLKHRW 	C41H65N13O7	851.513	NA	PeJP	NA	NA
+PJ053825	ALLLLFY 	C45H69N7O9	851.5157	NA	PeJP	NA	NA
+PJ053826	QKKHRR 	C35H65N17O8	851.5202	NA	PeJP	NA	NA
+PJ053827	GAKKHRR 	C35H65N17O8	851.5203	NA	PeJP	NA	NA
+PJ053828	GTKKKKY 	C39H69N11O10	851.5229	NA	PeJP	NA	NA
+PJ053829	AVLKKFF 	C44H69N9O8	851.5269	NA	PeJP	NA	NA
+PJ053830	PPVLLKW 	C44H69N9O8	851.527	NA	PeJP	NA	NA
+PJ053831	LLLLLMH 	C41H73N9O8S	851.5303	NA	PeJP	NA	NA
+PJ053832	PPTLLRR 	C38H69N13O9	851.5342	NA	PeJP	NA	NA
+MJ096174	Scytophycin C; 6?,34-Dihydroxy, 7-Me ether 	C46H77NO13	851.539491	NA	MeJP	NA	NA
+EUR1025	PC 40:8 [M+Na]+	C48H80NO8P	851.544103	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1025	PC 40:8 [M+Na]+	C48H80NO8P	851.544103	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1025	PC 40:8 [M+Na]+	C48H80NO8P	851.544103	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1025	PC 40:8 [M+Na]+	C48H80NO8P	851.544103	masses lipides attendues	Inhousejuil11	NA	NA
+PJ053833	APPKKRR 	C37H69N15O8	851.5454	NA	PeJP	NA	NA
+HMDB08518	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H78NO8P	851.546509	NA	HMDB2010	NA	NA
+HMDB08741	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C50H78NO8P	851.546509	NA	HMDB2010	NA	NA
+PJ053834	APPTLLLK 	C41H73N9O10	851.5481	NA	PeJP	NA	NA
+PJ053835	KKKHRR 	C36H69N17O7	851.5566	NA	PeJP	NA	NA
+PJ053836	PLLLLQR 	C40H73N11O9	851.5593	NA	PeJP	NA	NA
+EUR1007	PC 38:6 [M+FA-H]-	C46H80NO8P	851.567037	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1007	PC 38:6 [M+FA-H]-	C46H80NO8P	851.567037	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1007	PC 38:6 [M+FA-H]-	C46H80NO8P	851.567037	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1007	PC 38:6 [M+FA-H]-	C46H80NO8P	851.567037	masses lipides attendues	Inhousejuil11	NA	NA
+PJ053837	PVVLLRR 	C39H73N13O8	851.5706	NA	PeJP	NA	NA
+PJ053838	GPVLLLLK 	C42H77N9O9	851.5845	NA	PeJP	NA	NA
+PJ053839	PLLLLKR 	C41H77N11O8	851.5957	NA	PeJP	NA	NA
+HMDB09344	PE(20:3(5Z,8Z,11Z)/24:1(15Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09377	PE(20:3(8Z,11Z,14Z)/24:1(15Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09409	PE(20:4(5Z,8Z,11Z,14Z)/24:0)	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09442	PE(20:4(8Z,11Z,14Z,17Z)/24:0)	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09504	PE(22:0/22:4(7Z,10Z,13Z,16Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09569	PE(22:2(13Z,16Z)/22:2(13Z,16Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09599	PE(22:4(7Z,10Z,13Z,16Z)/22:0)	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09729	PE(24:0/20:4(5Z,8Z,11Z,14Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09730	PE(24:0/20:4(8Z,11Z,14Z,17Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09760	PE(24:1(15Z)/20:3(5Z,8Z,11Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB09761	PE(24:1(15Z)/20:3(8Z,11Z,14Z))	C49H90NO8P	851.640381	NA	HMDB2010	NA	NA
+HMDB13448	PC(o-22:0/20:4(8Z,11Z,14Z,17Z))	C50H94NO7P	851.676819	NA	HMDB2010	NA	NA
+HMDB13454	PC(o-22:2(13Z,16Z)/20:2(11Z,14Z))	C50H94NO7P	851.676819	NA	HMDB2010	NA	NA
+MJ096175	2-Amino-9-methyl-4,8,10-octadecatriene-1,3-diol, N-(2R-Hydroxypentacosanoyl), 1-O-?-D-glucopyranoside 	C50H93NO9	851.685033	NA	MeJP	NA	NA
+HMDB01454	Guanosine tetraphosphate adenosine	C20H28N10O20P4	852.04315	http://www.hmdb.ca/metabolites/HMDB01454	HMDB	NA	NA
+HMDB01454	Guanosine tetraphosphate adenosine	C20H28N10O20P4	852.04315	HMDB01454	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01454	Guanosine tetraphosphate adenosine	C20H28N10O20P4	852.043152	NA	HMDB2010	NA	NA
+MJ096176	Cyclobartramiatriluteolin 	C45H24O18	852.096263	NA	MeJP	NA	NA
+MJ096177	Malonamoyl-CoA 	C24H39N8O18P3S	852.131586	NA	MeJP	NA	NA
+C06625	Malonamoyl-CoA	C24H39N8O18P3S	852.1316	NA	KEGG	NA	NA
+PJ053840	SCCCCCCE 	C26H44N8O12S6	852.1403	NA	PeJP	NA	NA
+MJ096178	Theaflavate B; 3'-O-(3,4,5-Trihydroxybenzoyl) 	C43H32O19	852.153778	NA	MeJP	NA	NA
+PJ053841	GCCCCCMM 	C27H48N8O9S7	852.159	NA	PeJP	NA	NA
+HMDB12248	L-3-Aminobutyryl-CoA	C25H43N8O17P3S	852.167969	NA	HMDB2010	NA	NA
+MetaCyc04191	4-aminobutanoyl-coA []	C25H43N8O17P3S1	852.167972	NA	metacyc	NA	NA
+MetaCyc04192	L-3-aminobutyryl-CoA [3-aminobutyryl-CoA;]	C25H43N8O17P3S1	852.167972	NA	metacyc	NA	NA
+C02801	4-Aminobutanoyl-CoA	C25H43N8O17P3S	852.168	NA	KEGG	NA	NA
+C05117	3-Aminobutanoyl-CoA	C25H43N8O17P3S	852.168	NA	KEGG	NA	NA
+C05231	L-3-Aminobutyryl-CoA	C25H43N8O17P3S	852.168	NA	KEGG	NA	NA
+C05232	(2S)-2-Methylacyl-CoA	C24H39N7O17P3SR	852.168	NA	KEGG	NA	NA
+C05234	Detyrosinated alpha-tubulin	C2H4NO2R	852.168	NA	KEGG	NA	NA
+PJ053842	GCCCCCDF 	C30H44N8O11S5	852.1734	NA	PeJP	NA	NA
+PJ053843	STCCCCCM 	C27H48N8O11S6	852.1767	NA	PeJP	NA	NA
+PJ053844	GSCCCCDY 	C30H44N8O13S4	852.1911	NA	PeJP	NA	NA
+PJ053845	CCCCQMY 	C31H48N8O10S5	852.2097	NA	PeJP	NA	NA
+PJ053846	GCCCCNNH 	C28H44N12O11S4	852.2136	NA	PeJP	NA	NA
+PJ053847	GSCCCDEH 	C29H44N10O14S3	852.2201	NA	PeJP	NA	NA
+PJ053848	CCCCCRY 	C30H48N10O9S5	852.221	NA	PeJP	NA	NA
+PJ053849	GSDDDDDD 	C29H40N8O22	852.2258	NA	PeJP	NA	NA
+PJ053850	GPCCDDDE 	C30H44N8O17S2	852.2266	NA	PeJP	NA	NA
+PJ053851	GSSCCCMY 	C31H48N8O12S4	852.2275	NA	PeJP	NA	NA
+PJ053852	SCCCDHW 	C33H44N10O11S3	852.2354	NA	PeJP	NA	NA
+PJ053853	SSSCCDDH 	C29H44N10O16S2	852.2379	NA	PeJP	NA	NA
+PJ053854	CCNDMMH 	C30H48N10O11S4	852.2387	NA	PeJP	NA	NA
+PJ053855	PCCDDDW 	C34H44N8O14S2	852.2419	NA	PeJP	NA	NA
+PJ053856	CCCCQFF 	C35H48N8O9S4	852.2427	NA	PeJP	NA	NA
+PJ053857	GACCCCFF 	C35H48N8O9S4	852.2428	NA	PeJP	NA	NA
+PJ053858	NDDDDEM 	C30H44N8O19S	852.2444	NA	PeJP	NA	NA
+PJ053859	SSSTCCCY 	C31H48N8O14S3	852.2452	NA	PeJP	NA	NA
+PJ053860	SPPCCCDE 	C31H48N8O14S3	852.2453	NA	PeJP	NA	NA
+PJ053861	CCCCKMY 	C32H52N8O9S5	852.2461	NA	PeJP	NA	NA
+PJ053862	GCCNNNND 	C28H44N12O15S2	852.2491	NA	PeJP	NA	NA
+PJ053863	CCCCEHR 	C29H48N12O10S4	852.25	NA	PeJP	NA	NA
+PJ053864	CCNDDHF 	C33H44N10O13S2	852.2531	NA	PeJP	NA	NA
+MJ096179	Rutin; 2''-O-?-D-Xylopyranosyl, 2'''-O-?-L-rhamnopyranosyl 	C35H48O24	852.253552	NA	MeJP	NA	NA
+PJ053865	ACCCMHW 	C34H48N10O8S4	852.254	NA	PeJP	NA	NA
+PJ053866	CDDDDDR 	C29H44N10O18S	852.2556	NA	PeJP	NA	NA
+PJ053867	GSSCCEMH 	C30H48N10O13S3	852.2565	NA	PeJP	NA	NA
+PJ053868	CCCNHHH 	C31H44N14O9S3	852.2578	NA	PeJP	NA	NA
+PJ053869	GDDDDMW 	C34H44N8O16S	852.2596	NA	PeJP	NA	NA
+PJ053870	GCCNMYY 	C35H48N8O11S3	852.2605	NA	PeJP	NA	NA
+PJ053871	GSSDDDEE 	C30H44N8O21	852.2621	NA	PeJP	NA	NA
+PJ053872	GSPCDDEM 	C31H48N8O16S2	852.263	NA	PeJP	NA	NA
+PJ053873	GPPCCDMM 	C32H52N8O11S4	852.2639	NA	PeJP	NA	NA
+PJ053874	SCNNDDW 	C33H44N10O15S	852.2709	NA	PeJP	NA	NA
+PJ053875	SSCCMHW 	C34H48N10O10S3	852.2717	NA	PeJP	NA	NA
+PJ053876	GGGAPCCCW 	C34H48N10O10S3	852.2718	NA	PeJP	NA	NA
+PJ053877	SSSNNDDD 	C29H44N10O20	852.2734	NA	PeJP	NA	NA
+PJ053878	SSSSCDMH 	C30H48N10O15S2	852.2742	NA	PeJP	NA	NA
+PJ053879	GGGGNDDMM 	C30H48N10O15S2	852.2743	NA	PeJP	NA	NA
+PJ053880	CDDEWW 	C38H44N8O13S	852.2749	NA	PeJP	NA	NA
+PJ053881	SCNMMMH 	C31H52N10O10S4	852.2751	NA	PeJP	NA	NA
+PJ053882	SSDDDEW 	C34H44N8O18	852.2774	NA	PeJP	NA	NA
+PJ053883	SSCCQYY 	C35H48N8O13S2	852.2782	NA	PeJP	NA	NA
+PJ053884	SPCDDMW 	C35H48N8O13S2	852.2783	NA	PeJP	NA	NA
+PJ053885	CCCCKFF 	C36H52N8O8S4	852.2791	NA	PeJP	NA	NA
+PJ053886	SNDEEEM 	C31H48N8O18S	852.2808	NA	PeJP	NA	NA
+PJ053887	DDDYYY 	C39H44N6O16	852.2814	NA	PeJP	NA	NA
+PJ053888	PNDDMMM 	C32H52N8O13S3	852.2816	NA	PeJP	NA	NA
+PJ053889	GPPCCCHH 	C33H48N12O9S3	852.283	NA	PeJP	NA	NA
+PJ053890	CCNNDER 	C29H48N12O14S2	852.2855	NA	PeJP	NA	NA
+PJ053891	DMMMYY 	C37H52N6O11S3	852.2856	NA	PeJP	NA	NA
+PJ053892	TCCCMHR 	C30H52N12O9S4	852.2863	NA	PeJP	NA	NA
+PJ053893	NNNDDDF 	C33H44N10O17	852.2886	NA	PeJP	NA	NA
+PJ053894	GGGGGGDDDF 	C33H44N10O17	852.2887	NA	PeJP	NA	NA
+PJ053895	GCNNEMW 	C34H48N10O12S2	852.2895	NA	PeJP	NA	NA
+PJ053896	SDDDDMR 	C30H48N10O17S	852.292	NA	PeJP	NA	NA
+PJ053897	PCCDEMR 	C31H52N10O12S3	852.2929	NA	PeJP	NA	NA
+PJ053898	CNNNDHH 	C31H44N14O13S	852.2933	NA	PeJP	NA	NA
+PJ053899	GGGGCNDHH 	C31H44N14O13S	852.2934	NA	PeJP	NA	NA
+PJ053900	GCCNFFY 	C39H48N8O10S2	852.2935	NA	PeJP	NA	NA
+PJ053901	GSDEEMW 	C35H48N8O15S	852.296	NA	PeJP	NA	NA
+PJ053902	GPCEMMW 	C36H52N8O10S3	852.2969	NA	PeJP	NA	NA
+PJ053903	GSSSEEEE 	C31H48N8O20	852.2985	NA	PeJP	NA	NA
+PJ053904	GQEEEMM 	C32H52N8O15S2	852.2994	NA	PeJP	NA	NA
+PJ053905	SNDDEHH 	C32H44N12O16	852.2999	NA	PeJP	NA	NA
+PJ053906	DDMFYY 	C40H48N6O13S	852.3	NA	PeJP	NA	NA
+PJ053907	GSPPCMMM 	C33H56N8O10S4	852.3003	NA	PeJP	NA	NA
+PJ053908	GCCNDRW 	C33H48N12O11S2	852.3007	NA	PeJP	NA	NA
+PJ053909	GSSCNDDR 	C29H48N12O16S	852.3032	NA	PeJP	NA	NA
+PJ053910	GGGGGGGGSSTC 	C29H48N12O16S	852.3033	NA	PeJP	NA	NA
+PJ053911	GSPCCCQR 	C30H52N12O11S3	852.3041	NA	PeJP	NA	NA
+PJ053912	MMMMFY 	C38H56N6O8S4	852.3043	NA	PeJP	NA	NA
+PJ053913	CNNMWW 	C38H48N10O9S2	852.3047	NA	PeJP	NA	NA
+PJ053914	GGCNMWW 	C38H48N10O9S2	852.3048	NA	PeJP	NA	NA
+PJ053915	SSNNDMW 	C34H48N10O14S	852.3072	NA	PeJP	NA	NA
+PJ053916	GGSSNDMW 	C34H48N10O14S	852.3073	NA	PeJP	NA	NA
+PJ053917	PCCCNKW 	C35H52N10O9S3	852.3081	NA	PeJP	NA	NA
+PJ053918	SSSSNNEE 	C30H48N10O19	852.3097	NA	PeJP	NA	NA
+PJ053919	GGSSSSNEE 	C30H48N10O19	852.3098	NA	PeJP	NA	NA
+PJ053920	GDDEMMR 	C31H52N10O14S2	852.3106	NA	PeJP	NA	NA
+MJ096180	Mureidomycin E 	C39H48N8O12S	852.311239	NA	MeJP	NA	NA
+PJ053921	SDEMWW 	C39H48N8O12S	852.3113	NA	PeJP	NA	NA
+PJ053922	TCCKMMH 	C32H56N10O9S4	852.3115	NA	PeJP	NA	NA
+PJ053923	PCMMWW 	C40H52N8O7S3	852.3121	NA	PeJP	NA	NA
+PJ053924	SSSEEEW 	C35H48N8O17	852.3138	NA	PeJP	NA	NA
+MJ096181	Kamalachalcone B 	C51H48O12	852.314577	NA	MeJP	NA	NA
+PJ053925	QEEMMW 	C36H52N8O12S2	852.3146	NA	PeJP	NA	NA
+PJ053926	GAEEMMW 	C36H52N8O12S2	852.3147	NA	PeJP	NA	NA
+PJ053927	GSDDHHW 	C36H44N12O13	852.3151	NA	PeJP	NA	NA
+PJ053928	APCCHHW 	C37H48N12O8S2	852.316	NA	PeJP	NA	NA
+PJ053929	STQEEEM 	C32H52N8O17S	852.3171	NA	PeJP	NA	NA
+PJ053930	GGTTEEEM 	C32H52N8O17S	852.3172	NA	PeJP	NA	NA
+PJ053931	SEEYYY 	C40H48N6O15	852.3178	NA	PeJP	NA	NA
+PJ053932	SPQEMMM 	C33H56N8O12S3	852.318	NA	PeJP	NA	NA
+PJ053933	CNNNNQF 	C33H48N12O13S	852.3185	NA	PeJP	NA	NA
+PJ053934	DMMFFY 	C41H52N6O10S2	852.3187	NA	PeJP	NA	NA
+PJ053935	GCCMHFR 	C34H52N12O8S3	852.3194	NA	PeJP	NA	NA
+PJ053936	GSSSSSNNN 	C29H48N12O18	852.321	NA	PeJP	NA	NA
+PJ053937	SCCQQER 	C30H52N12O13S2	852.3218	NA	PeJP	NA	NA
+PJ053938	SCNNEMR 	C30H52N12O13S2	852.3219	NA	PeJP	NA	NA
+PJ053939	GSSCQWW 	C38H48N10O11S	852.3225	NA	PeJP	NA	NA
+PJ053940	GSSSSNEW 	C34H48N10O16	852.325	NA	PeJP	NA	NA
+PJ053941	DDMMRW 	C35H52N10O11S2	852.3259	NA	PeJP	NA	NA
+PJ053942	PCDFWW 	C43H48N8O9S	852.3265	NA	PeJP	NA	NA
+PJ053943	SSDEEMR 	C31H52N10O16S	852.3284	NA	PeJP	NA	NA
+PJ053944	GSPDEYW 	C39H48N8O14	852.329	NA	PeJP	NA	NA
+PJ053945	SPCEMMR 	C32H56N10O11S3	852.3292	NA	PeJP	NA	NA
+PJ053946	GGAQQMMM 	C32H56N10O11S3	852.3293	NA	PeJP	NA	NA
+PJ053947	GCDEHHR 	C32H48N14O12S	852.3297	NA	PeJP	NA	NA
+PJ053948	AEMMWW 	C40H52N8O9S2	852.3299	NA	PeJP	NA	NA
+MJ096182	Virotoxin; [Ala1]Viroidin, S-Deoxy 	C36H52N8O14S	852.332369	NA	MeJP	NA	NA
+PJ053949	GTTEEMW 	C36H52N8O14S	852.3324	NA	PeJP	NA	NA
+PJ053950	DDFFFY 	C44H48N6O12	852.3331	NA	PeJP	NA	NA
+PJ053951	GPTMMMW 	C37H56N8O9S3	852.3333	NA	PeJP	NA	NA
+PJ053952	NEMHHW 	C37H48N12O10S	852.3337	NA	PeJP	NA	NA
+PJ053953	GGEMHHW 	C37H48N12O10S	852.3338	NA	PeJP	NA	NA
+PJ053954	GSTTTEEE 	C32H52N8O19	852.3349	NA	PeJP	NA	NA
+PJ053955	GKEEEMM 	C33H56N8O14S2	852.3358	NA	PeJP	NA	NA
+PJ053956	GNNDDRY 	C33H48N12O15	852.3362	NA	PeJP	NA	NA
+PJ053957	GGGNDDRY 	C33H48N12O15	852.3363	NA	PeJP	NA	NA
+PJ053958	VDMYYY 	C41H52N6O12S	852.3364	NA	PeJP	NA	NA
+PJ053959	PVNMMMM 	C34H60N8O9S4	852.3366	NA	PeJP	NA	NA
+PJ053960	GGPVMMMM 	C34H60N8O9S4	852.3367	NA	PeJP	NA	NA
+PJ053961	GSCNMRW 	C34H52N12O10S2	852.3371	NA	PeJP	NA	NA
+PJ053962	MMMFFF 	C42H56N6O7S3	852.3373	NA	PeJP	NA	NA
+PJ053963	GNDHHHH 	C34H44N16O11	852.3376	NA	PeJP	NA	NA
+PJ053964	CNHFFW 	C42H48N10O8S	852.3378	NA	PeJP	NA	NA
+PJ053965	GSSSNDMR 	C30H52N12O15S	852.3396	NA	PeJP	NA	NA
+PJ053966	SSSSNWW 	C38H48N10O13	852.3403	NA	PeJP	NA	NA
+PJ053967	GNNMMMR 	C31H56N12O10S3	852.3405	NA	PeJP	NA	NA
+PJ053968	CCQKWW 	C39H52N10O8S2	852.3411	NA	PeJP	NA	NA
+PJ053969	SSSQQMW 	C35H52N10O13S	852.3436	NA	PeJP	NA	NA
+PJ053970	GGGGGGPTMY 	C35H52N10O13S	852.3437	NA	PeJP	NA	NA
+PJ053971	SPDYWW 	C43H48N8O11	852.3443	NA	PeJP	NA	NA
+PJ053972	PPCCMFR 	C36H56N10O8S3	852.3445	NA	PeJP	NA	NA
+PJ053973	CDHHRW 	C36H48N14O9S	852.345	NA	PeJP	NA	NA
+PJ053974	SSSSNDKE 	C31H52N10O18	852.3461	NA	PeJP	NA	NA
+PJ053975	GTEEMMR 	C32H56N10O13S2	852.347	NA	PeJP	NA	NA
+PJ053976	SSDDHHR 	C32H48N14O14	852.3475	NA	PeJP	NA	NA
+PJ053977	CNKYYY 	C40H52N8O11S	852.3476	NA	PeJP	NA	NA
+PJ053978	TTEMWW 	C40H52N8O11S	852.3477	NA	PeJP	NA	NA
+PJ053979	GPMMMMR 	C33H60N10O8S4	852.3479	NA	PeJP	NA	NA
+PJ053980	PTCCHHR 	C33H52N14O9S2	852.3483	NA	PeJP	NA	NA
+PJ053981	GMHHWW 	C41H48N12O7S	852.349	NA	PeJP	NA	NA
+PJ053982	STTTEEW 	C36H52N8O16	852.3501	NA	PeJP	NA	NA
+PJ053983	TTTTDEW 	C36H52N8O16	852.3502	NA	PeJP	NA	NA
+PJ053984	KEEMMW 	C37H56N8O11S2	852.351	NA	PeJP	NA	NA
+PJ053985	GSTEHHW 	C37H48N12O12	852.3515	NA	PeJP	NA	NA
+PJ053986	GCCQMRR 	C30H56N14O9S3	852.3517	NA	PeJP	NA	NA
+PJ053987	STKEEEM 	C33H56N8O16S	852.3535	NA	PeJP	NA	NA
+PJ053988	SPKEMMM 	C34H60N8O11S3	852.3544	NA	PeJP	NA	NA
+EUR077	heme A	C49H56FeN4O6	852.3549	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR077	heme A	C49H56FeN4O6	852.3549	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR077	heme A	C49H56FeN4O6	852.3549	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR077	heme A	C49H56FeN4O6	852.3549	Wishlist	Inhousejuil11	NA	NA
+C15670	Heme A	C49H56FeN4O6	852.3549	NA	KEGG	NA	NA
+PJ053989	SSSCQRW 	C34H52N12O12S	852.3549	NA	PeJP	NA	NA
+HMDB06901	Heme A	C49H56FeN4O6	852.354919	NA	HMDB2010	NA	NA
+HMDB06901	Heme A	C49H56FeN4O6	852.35492	http://www.hmdb.ca/metabolites/HMDB06901	HMDB	NA	NA
+HMDB06901	Heme A	C49H56FeN4O6	852.35492	HMDB06901	PFEM_hmdb_metabocards_official	NA	NA
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	HMDB	NA	NA
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	Inhouse_PFEM	NA	NA
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR077	Heme A	C49H56FeN4O6	852.354926	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+PJ053990	VMMFYY 	C42H56N6O9S2	852.355	NA	PeJP	NA	NA
+PJ053991	GNQYWW 	C42H48N10O10	852.3555	NA	PeJP	NA	NA
+PJ053992	SSSSSNER 	C30H52N12O17	852.3574	NA	PeJP	NA	NA
+MJ096183	Tenuisine A; 11,11'-Dimethoxy 	C46H52N4O12	852.358173	NA	MeJP	NA	NA
+PJ053993	SSNQMMR 	C31H56N12O12S2	852.3582	NA	PeJP	NA	NA
+PJ053994	GGGGSTMMR 	C31H56N12O12S2	852.3583	NA	PeJP	NA	NA
+4012	LDC, alpha-chain	CKDDQNPH	852.3587	haemolytic	Inhouse_peptide	NA	peptide
+PJ053995	GSSCKWW 	C39H52N10O10S	852.3589	NA	PeJP	NA	NA
+PJ053996	EFWWW 	C47H48N8O8	852.3595	NA	PeJP	NA	NA
+PJ053997	GSSSSDKW 	C35H52N10O15	852.3614	NA	PeJP	NA	NA
+PJ053998	TEMMRW 	C36H56N10O10S2	852.3623	NA	PeJP	NA	NA
+PJ053999	GNNQHHF 	C36H48N14O11	852.3627	NA	PeJP	NA	NA
+PJ054000	GGGGGQHHF 	C36H48N14O11	852.3628	NA	PeJP	NA	NA
+PJ054001	APMYWW 	C44H52N8O8S	852.3629	NA	PeJP	NA	NA
+PJ054002	GCCCRRR 	C29H56N16O8S3	852.363	NA	PeJP	NA	NA
+PJ054003	STTEEMR 	C32H56N10O15S	852.3648	NA	PeJP	NA	NA
+PJ054004	VQEEYW 	C40H52N8O13	852.3654	NA	PeJP	NA	NA
+PJ054005	GVEMMMR 	C33H60N10O10S3	852.3656	NA	PeJP	NA	NA
+PJ054006	GGGAAKMMM 	C33H60N10O10S3	852.3657	NA	PeJP	NA	NA
+PJ054007	GSEMHHR 	C33H52N14O11S	852.3661	NA	PeJP	NA	NA
+PJ054008	SLMMWW 	C41H56N8O8S2	852.3663	NA	PeJP	NA	NA
+PJ054009	STHHWW 	C41H48N12O9	852.3668	NA	PeJP	NA	NA
+PJ054010	SSTLEMW 	C37H56N8O13S	852.3688	NA	PeJP	NA	NA
+PJ054011	PTFYYY 	C45H52N6O11	852.3694	NA	PeJP	NA	NA
+PJ054012	SSCNMRR 	C30H56N14O11S2	852.3695	NA	PeJP	NA	NA
+PJ054013	AALMMMW 	C38H60N8O8S3	852.3697	NA	PeJP	NA	NA
+PJ054014	CNQFRW 	C38H52N12O9S	852.3701	NA	PeJP	NA	NA
+PJ054015	SSSTTLEE 	C33H56N8O18	852.3713	NA	PeJP	NA	NA
+PJ054016	SVKEEMM 	C34H60N8O13S2	852.3722	NA	PeJP	NA	NA
+PJ054017	GSSSSSRW 	C34H52N12O14	852.3726	NA	PeJP	NA	NA
+PJ054018	GGGGGGGGSKY 	C34H52N12O14	852.3727	NA	PeJP	NA	NA
+PJ054019	TLMYYY 	C42H56N6O11S	852.3728	NA	PeJP	NA	NA
+PJ054020	PCLKMMM 	C35H64N8O8S4	852.373	NA	PeJP	NA	NA
+PJ054021	GTCCKRW 	C35H56N12O9S2	852.3735	NA	PeJP	NA	NA
+PJ054022	GTQHHHH 	C35H48N16O10	852.374	NA	PeJP	NA	NA
+PJ054023	PPMHWW 	C43H52N10O7S	852.3742	NA	PeJP	NA	NA
+PJ054024	GSSSTQMR 	C31H56N12O14S	852.376	NA	PeJP	NA	NA
+PJ054025	NNKEYW 	C39H52N10O12	852.3766	NA	PeJP	NA	NA
+PJ054026	AEERYW 	C39H52N10O12	852.3767	NA	PeJP	NA	NA
+PJ054027	EMMMRR 	C32H60N12O9S3	852.3769	NA	PeJP	NA	NA
+PJ054028	CCKKWW 	C40H56N10O7S2	852.3775	NA	PeJP	NA	NA
+PJ054029	SSSQKMW 	C36H56N10O12S	852.38	NA	PeJP	NA	NA
+C11616	Pristinamycin IB	C44H52N8O10	852.3806	NA	KEGG	NA	NA
+C11617	Pristinamycin IC	C44H52N8O10	852.3806	NA	KEGG	NA	NA
+MJ096184	Ostreogrycin B; N-De-Me 	C44H52N8O10	852.380639	NA	MeJP	NA	NA
+MJ096185	Pristinamycin IC 	C44H52N8O10	852.380639	NA	MeJP	NA	NA
+PJ054030	GLEYWW 	C44H52N8O10	852.3807	NA	PeJP	NA	NA
+PJ054031	VMMMRW 	C37H60N10O7S3	852.3809	NA	PeJP	NA	NA
+PJ054032	SMHHRW 	C37H52N14O8S	852.3814	NA	PeJP	NA	NA
+PJ054033	SSSSTQKE 	C32H56N10O17	852.3825	NA	PeJP	NA	NA
+PJ054034	SSLEMMR 	C33H60N10O12S2	852.3834	NA	PeJP	NA	NA
+PJ054035	SSTEHHR 	C33H52N14O13	852.3839	NA	PeJP	NA	NA
+PJ054036	PKEMYW 	C41H56N8O10S	852.384	NA	PeJP	NA	NA
+PJ054037	GALEMFW 	C41H56N8O10S	852.3841	NA	PeJP	NA	NA
+PJ054038	AAMMHHR 	C34H56N14O8S2	852.3847	NA	PeJP	NA	NA
+PJ054039	SPTKEEY 	C37H56N8O15	852.3865	NA	PeJP	NA	NA
+PJ054040	GVKEEEY 	C37H56N8O15	852.3866	NA	PeJP	NA	NA
+PJ054041	GSSSTCRR 	C30H56N14O13S	852.3872	NA	PeJP	NA	NA
+PJ054042	ATTLMMW 	C38H60N8O10S2	852.3874	NA	PeJP	NA	NA
+PJ054043	SNQRYW 	C38H52N12O11	852.3879	NA	PeJP	NA	NA
+PJ054044	VMFFFY 	C46H56N6O8S	852.3881	NA	PeJP	NA	NA
+PJ054045	SSSSLLEM 	C34H60N8O15S	852.3899	NA	PeJP	NA	NA
+PJ054046	ALKEMMM 	C35H64N8O10S3	852.3908	NA	PeJP	NA	NA
+PJ054047	SSSCKRW 	C35H56N12O11S	852.3912	NA	PeJP	NA	NA
+HMDB01162	Heme O	C50H60FeN4O5	852.39124	http://www.hmdb.ca/metabolites/HMDB01162	HMDB	NA	NA
+HMDB01162	Heme O	C50H60FeN4O5	852.39124	HMDB01162	PFEM_hmdb_metabocards_official	NA	NA
+PJ054048	GAQQMRY 	C35H56N12O11S	852.3913	NA	PeJP	NA	NA
+PJ054049	GNKYWW 	C43H52N10O9	852.3919	NA	PeJP	NA	NA
+PJ054050	SSSSTTQR 	C31H56N12O16	852.3937	NA	PeJP	NA	NA
+PJ054051	SSSSSDKR 	C31H56N12O16	852.3938	NA	PeJP	NA	NA
+PJ054052	SSNKMMR 	C32H60N12O11S2	852.3946	NA	PeJP	NA	NA
+PJ054053	GNNQQHR 	C32H52N16O12	852.3951	NA	PeJP	NA	NA
+PJ054054	PTMRYW 	C40H56N10O9S	852.3953	NA	PeJP	NA	NA
+PJ054055	LYWWW 	C48H52N8O7	852.3959	NA	PeJP	NA	NA
+PJ054056	GSSSTTKW 	C36H56N10O14	852.3978	NA	PeJP	NA	NA
+PJ054057	SVCCKKW 	C37H60N10O9S2	852.3986	NA	PeJP	NA	NA
+PJ054058	GTCKKMW 	C37H60N10O9S2	852.3987	NA	PeJP	NA	NA
+PJ054059	GSPNHRW 	C37H52N14O10	852.3991	NA	PeJP	NA	NA
+PJ054060	ALMFWW 	C45H56N8O7S	852.3993	NA	PeJP	NA	NA
+PJ054061	GSTTTQKM 	C33H60N10O14S	852.4011	NA	PeJP	NA	NA
+PJ054062	GSSSKKEM 	C33H60N10O14S	852.4012	NA	PeJP	NA	NA
+PJ054063	VKEEYW 	C41H56N8O12	852.4018	NA	PeJP	NA	NA
+PJ054064	ATLMMMR 	C34H64N10O9S3	852.402	NA	PeJP	NA	NA
+PJ054065	NNMRRY 	C34H56N14O10S	852.4025	NA	PeJP	NA	NA
+PJ054066	VQHHFW 	C42H52N12O8	852.4031	NA	PeJP	NA	NA
+PJ054067	GGLHHFW 	C42H52N12O8	852.4032	NA	PeJP	NA	NA
+PJ054068	SSSSSSRR 	C30H56N14O15	852.405	NA	PeJP	NA	NA
+PJ054069	TTTTLMW 	C38H60N8O12S	852.4052	NA	PeJP	NA	NA
+PJ054070	VVFYYY 	C46H56N6O10	852.4058	NA	PeJP	NA	NA
+PJ054071	STCCKRR 	C31H60N14O10S2	852.4059	NA	PeJP	NA	NA
+PJ054072	CNKFRW 	C39H56N12O8S	852.4065	NA	PeJP	NA	NA
+PJ054073	STTTTTLE 	C34H60N8O17	852.4077	NA	PeJP	NA	NA
+PJ054074	TTLKEMM 	C35H64N8O12S2	852.4085	NA	PeJP	NA	NA
+PJ054075	TEERRY 	C35H56N12O13	852.409	NA	PeJP	NA	NA
+PJ054076	GGGGGGGGAPPL 	C35H56N12O13	852.4091	NA	PeJP	NA	NA
+3979	ACE inhibitor	VLDTDYK	852.4098	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ054077	PMMRRY 	C36H60N12O8S2	852.4099	NA	PeJP	NA	NA
+PJ054078	GTKHHHH 	C36H52N16O9	852.4104	NA	PeJP	NA	NA
+MJ096186	Desferritriacetylfusigen 	C39H60N6O15	852.411665	NA	MeJP	NA	NA
+PJ054079	GSSSTKMR 	C32H60N12O13S	852.4124	NA	PeJP	NA	NA
+PJ054080	SLERYW 	C40H56N10O11	852.413	NA	PeJP	NA	NA
+PJ054081	GGPPPDKW 	C40H56N10O11	852.4131	NA	PeJP	NA	NA
+PJ054082	GCKKMMR 	C33H64N12O8S3	852.4133	NA	PeJP	NA	NA
+PJ054083	GPCQHRR 	C33H56N16O9S	852.4137	NA	PeJP	NA	NA
+MJ096187	Bryostatin 6 	C43H64O17	852.41435	NA	MeJP	NA	NA
+MJ096188	Bryostatin 9 	C43H64O17	852.41435	NA	MeJP	NA	NA
+PJ054084	AHHFRW 	C41H52N14O7	852.4144	NA	PeJP	NA	NA
+MJ096189	Halichondramide; 22-Hydroxy 	C44H60N4O13	852.415688	NA	MeJP	NA	NA
+PJ054085	SSSKKMW 	C37H60N10O11S	852.4164	NA	PeJP	NA	NA
+PJ054086	SVLYWW 	C45H56N8O9	852.417	NA	PeJP	NA	NA
+PJ054087	VVTYWW 	C45H56N8O9	852.4171	NA	PeJP	NA	NA
+MJ096190	Stigmast-24(28)-ene-3,4,6,8,15,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside], 6-sulfate 	C40H68O17S	852.417721	NA	MeJP	NA	NA
+PJ054088	SSSSTKKE 	C33H60N10O16	852.4189	NA	PeJP	NA	NA
+PJ054089	TTTLMMR 	C34H64N10O11S2	852.4198	NA	PeJP	NA	NA
+PJ054090	GSSQRRY 	C34H56N14O12	852.4202	NA	PeJP	NA	NA
+PJ054091	GGGSTRRY 	C34H56N14O12	852.4203	NA	PeJP	NA	NA
+PJ054092	LLQMYW 	C42H60N8O9S	852.4204	NA	PeJP	NA	NA
+PJ054093	VFFFFF 	C50H56N6O7	852.4211	NA	PeJP	NA	NA
+MJ096191	Aurantimycin A; 2',2'',3',3''-Tetradehydro 	C38H60N8O14	852.422898	NA	MeJP	NA	NA
+PJ054094	ATLKEEY 	C38H60N8O14	852.4229	NA	PeJP	NA	NA
+PJ054095	APLKMMY 	C39H64N8O9S2	852.4238	NA	PeJP	NA	NA
+PJ054096	SNKRYW 	C39H56N12O10	852.4243	NA	PeJP	NA	NA
+PJ054097	SSTTTLLM 	C35H64N8O14S	852.4263	NA	PeJP	NA	NA
+PJ054098	SLLKMMM 	C36H68N8O9S3	852.4272	NA	PeJP	NA	NA
+PJ054099	VEMRRY 	C36H60N12O10S	852.4276	NA	PeJP	NA	NA
+PJ054100	GGAAKMRY 	C36H60N12O10S	852.4277	NA	PeJP	NA	NA
+PJ054101	PTFFRW 	C44H56N10O8	852.4283	NA	PeJP	NA	NA
+PJ054102	SSSSTTKR 	C32H60N12O15	852.4301	NA	PeJP	NA	NA
+PJ054103	STCKKMR 	C33H64N12O10S2	852.431	NA	PeJP	NA	NA
+PJ054104	QQEHRR 	C33H56N16O11	852.4315	NA	PeJP	NA	NA
+PJ054105	VVMRYW 	C41H60N10O8S	852.4317	NA	PeJP	NA	NA
+PJ054106	ATTLERY 	C37H60N10O13	852.4342	NA	PeJP	NA	NA
+PJ054107	GVLMMFR 	C38H64N10O8S2	852.435	NA	PeJP	NA	NA
+PJ054108	VQQHRW 	C38H56N14O9	852.4355	NA	PeJP	NA	NA
+PJ054109	GSTTTKKM 	C34H64N10O13S	852.4375	NA	PeJP	NA	NA
+PJ054110	GTTLLYW 	C42H60N8O11	852.4382	NA	PeJP	NA	NA
+PJ054111	GKKKMMM 	C35H68N10O8S3	852.4384	NA	PeJP	NA	NA
+PJ054112	CQKRRY 	C35H60N14O9S	852.4389	NA	PeJP	NA	NA
+PJ054113	VKHHFW 	C43H56N12O7	852.4395	NA	PeJP	NA	NA
+PJ054114	SVLLQMY 	C39H64N8O11S	852.4415	NA	PeJP	NA	NA
+PJ054115	GLLKEMY 	C39H64N8O11S	852.4416	NA	PeJP	NA	NA
+PJ054116	NDHRRR 	C32H56N18O10	852.4427	NA	PeJP	NA	NA
+PJ054117	PMFFRR 	C40H60N12O7S	852.4429	NA	PeJP	NA	NA
+PJ054118	GSDKKRY 	C36H60N12O12	852.4454	NA	PeJP	NA	NA
+PJ054119	LMMFRR 	C37H64N12O7S2	852.4463	NA	PeJP	NA	NA
+PJ054120	AQHRRW 	C37H56N16O8	852.4467	NA	PeJP	NA	NA
+PJ054121	GAAHRRW 	C37H56N16O8	852.4468	NA	PeJP	NA	NA
+PJ054122	TQKKYW 	C41H60N10O10	852.4494	NA	PeJP	NA	NA
+PJ054123	GPCKHRR 	C34H60N16O8S	852.4501	NA	PeJP	NA	NA
+MJ096192	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 19-Ketone, 2-Ac, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C44H68O16	852.450736	NA	MeJP	NA	NA
+MJ096193	Hovenidulcigenin A; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H68O16	852.450736	NA	MeJP	NA	NA
+MJ096194	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] 	C44H68O16	852.450736	NA	MeJP	NA	NA
+MJ096195	Halichondramide; 33-Me, 5,6-dihydro 	C45H64N4O12	852.452073	NA	MeJP	NA	NA
+PJ054124	GTLLMRY 	C38H64N10O10S	852.4528	NA	PeJP	NA	NA
+PJ054125	PLKFYW 	C46H60N8O8	852.4534	NA	PeJP	NA	NA
+PJ054126	GALLFFW 	C46H60N8O8	852.4535	NA	PeJP	NA	NA
+PJ054127	SSTTTTKK 	C34H64N10O15	852.4553	NA	PeJP	NA	NA
+PJ054128	STKKKMM 	C35H68N10O10S2	852.4562	NA	PeJP	NA	NA
+PJ054129	GSSKRRY 	C35H60N14O11	852.4566	NA	PeJP	NA	NA
+PJ054130	GAAPPERR 	C35H60N14O11	852.4567	NA	PeJP	NA	NA
+PJ054131	LLKMYW 	C43H64N8O8S	852.4568	NA	PeJP	NA	NA
+PJ054132	STLLKEY 	C39H64N8O13	852.4593	NA	PeJP	NA	NA
+PJ054133	ALLKMMF 	C40H68N8O8S2	852.4602	NA	PeJP	NA	NA
+PJ054134	LLEHRW 	C40H60N12O9	852.4607	NA	PeJP	NA	NA
+PJ054135	QKKMRY 	C37H64N12O9S	852.464	NA	PeJP	NA	NA
+PJ054136	VLLHWW 	C45H60N10O7	852.4647	NA	PeJP	NA	NA
+PJ054137	GPPDRRR 	C34H60N16O10	852.4679	NA	PeJP	NA	NA
+PJ054138	STTLLRY 	C38H64N10O12	852.4705	NA	PeJP	NA	NA
+PJ054139	GGSTLKKY 	C38H64N10O12	852.4706	NA	PeJP	NA	NA
+PJ054140	AAPPRRW 	C39H60N14O8	852.4719	NA	PeJP	NA	NA
+PJ054141	PPVLLEW 	C43H64N8O10	852.4746	NA	PeJP	NA	NA
+PJ054142	CKKRRY 	C36H64N14O8S	852.4753	NA	PeJP	NA	NA
+PJ054143	SVLLKMY 	C40H68N8O10S	852.4779	NA	PeJP	NA	NA
+PJ054144	SPPPVLLM 	C40H68N8O10S	852.478	NA	PeJP	NA	NA
+PJ054145	TQHRRR 	C33H60N18O9	852.4791	NA	PeJP	NA	NA
+PJ054146	GTTKKRY 	C37H64N12O11	852.4818	NA	PeJP	NA	NA
+7500	ACE inhibitor from b-CN	SLVLPVPE	852.482	antioxidative	Inhouse_peptide	NA	peptide
+PJ054147	AKHRRW 	C38H60N16O7	852.4831	NA	PeJP	NA	NA
+PJ054148	TKKKYW 	C42H64N10O9	852.4858	NA	PeJP	NA	NA
+MJ096196	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6-O-(2-O-acetyl-?-L-rhamnopyranoside) 	C45H72O15	852.487121	NA	MeJP	NA	NA
+MJ096197	Ampelozigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 15-Ac 	C45H72O15	852.487121	NA	MeJP	NA	NA
+PJ054149	GVKKKMY 	C39H68N10O9S	852.4892	NA	PeJP	NA	NA
+PJ054150	LLKFFW 	C47H64N8O7	852.4898	NA	PeJP	NA	NA
+PJ054151	APPKERR 	C36H64N14O10	852.493	NA	PeJP	NA	NA
+PJ054152	APPTLLLE 	C40H68N8O12	852.4957	NA	PeJP	NA	NA
+PJ054153	VLFRRY 	C41H64N12O8	852.497	NA	PeJP	NA	NA
+PJ054154	GPPLKRW 	C41H64N12O8	852.4971	NA	PeJP	NA	NA
+MJ096198	Microginin 299A; Dechloro 	C45H68N6O10	852.499692	NA	MeJP	NA	NA
+PJ054155	KKKMRY 	C38H68N12O8S	852.5004	NA	PeJP	NA	NA
+PJ054156	APPTRRR 	C35H64N16O9	852.5043	NA	PeJP	NA	NA
+PJ054157	SSLKKKY 	C39H68N10O11	852.5069	NA	PeJP	NA	NA
+PJ054158	GPPVVKKE 	C39H68N10O11	852.507	NA	PeJP	NA	NA
+PJ054159	VKKHRW 	C40H64N14O7	852.5083	NA	PeJP	NA	NA
+PJ054160	GLLLKFY 	C44H68N8O9	852.511	NA	PeJP	NA	NA
+PJ054161	GPPLLLLM 	C41H72N8O9S	852.5143	NA	PeJP	NA	NA
+PJ054162	TKHRRR 	C34H64N18O8	852.5155	NA	PeJP	NA	NA
+PJ054163	TTLLLHR 	C38H68N12O10	852.5182	NA	PeJP	NA	NA
+PJ054164	PPVVKKW 	C43H68N10O8	852.5222	NA	PeJP	NA	NA
+MJ096199	Bafilomycin A1; O7-(2-Methylpropanoyl), O21-(2-O-methyl-?-L-rhamnopyranoside) 	C46H76O14	852.523507	NA	MeJP	NA	NA
+MJ096200	Dianemycin; 10-Demethyl 	C46H76O14	852.523507	NA	MeJP	NA	NA
+MJ096201	Dianemycin; 6-Demethyl 	C46H76O14	852.523507	NA	MeJP	NA	NA
+MJ096202	Leuseramycin B 	C46H76O14	852.523507	NA	MeJP	NA	NA
+MJ096203	Peliomycin 	C46H76O14	852.523507	NA	MeJP	NA	NA
+PJ054165	VLLLKMH 	C40H72N10O8S	852.5256	NA	PeJP	NA	NA
+PJ054166	SPPLKRR 	C37H68N14O9	852.5294	NA	PeJP	NA	NA
+PJ054167	GPVLLLLE 	C41H72N8O11	852.5321	NA	PeJP	NA	NA
+PJ054168	KKKFFR 	C42H68N12O7	852.5334	NA	PeJP	NA	NA
+PJ054169	GPVLRRR 	C36H68N16O8	852.5407	NA	PeJP	NA	NA
+PJ054170	PLLLLER 	C40H72N10O10	852.5433	NA	PeJP	NA	NA
+PJ054171	PVLLLLW 	C45H72N8O8	852.5474	NA	PeJP	NA	NA
+PJ054172	PLRRRR 	C35H68N18O7	852.5519	NA	PeJP	NA	NA
+PJ054173	PVLLQKR 	C39H72N12O9	852.5546	NA	PeJP	NA	NA
+PJ054174	APLLKRR 	C38H72N14O8	852.5658	NA	PeJP	NA	NA
+PJ054175	APTLLLLL 	C42H76N8O10	852.5685	NA	PeJP	NA	NA
+PJ054176	AAPLLLKK 	C41H76N10O9	852.5797	NA	PeJP	NA	NA
+PJ054177	PVLLKKR 	C40H76N12O8	852.591	NA	PeJP	NA	NA
+MJ096204	Ritterazine R 	C54H80N2O6	852.601638	NA	MeJP	NA	NA
+PJ054178	GVLLLLLL 	C43H80N8O9	852.6049	NA	PeJP	NA	NA
+PJ054179	LLLLLLR 	C42H80N10O8	852.6161	NA	PeJP	NA	NA
+HMDB05380	TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C55H96O6	852.7207	http://www.hmdb.ca/metabolites/HMDB05380	HMDB	NA	NA
+HMDB05446	TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C55H96O6	852.7207	http://www.hmdb.ca/metabolites/HMDB05446	HMDB	NA	NA
+HMDB05380	TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C55H96O6	852.7207	HMDB05380	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05446	TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C55H96O6	852.7207	HMDB05446	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05380	TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C55H96O6	852.720703	NA	HMDB2010	NA	NA
+HMDB05446	TG(16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C55H96O6	852.720703	NA	HMDB2010	NA	NA
+HMDB10450	TG(18:1(9Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C55H96O6	852.720703	NA	HMDB2010	NA	NA
+HMDB10473	TG(18:2(9Z,12Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	C55H96O6	852.720703	NA	HMDB2010	NA	NA
+5319	aurein 2,5	GLFDIVKKVVGAFGSLG	852.9799	MH2+	Inhouse_peptide	NA	peptide
+5471	aurein 2,5	GLFDIVKKVVGAFGSLG	852.9799	MH2+	Inhouse_peptide	NA	peptide
+HMDB01175	Malonyl-CoA	C24H38N7O19P3S	853.1156	http://www.hmdb.ca/metabolites/HMDB01175	HMDB	NA	NA
+C00083	Malonyl-CoA	C24H38N7O19P3S	853.1156	NA	KEGG	NA	NA
+HMDB01175	Malonyl-CoA	C24H38N7O19P3S	853.1156	HMDB01175	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01175	Malonyl-CoA	C24H38N7O19P3S	853.115601	NA	HMDB2010	NA	NA
+MJ096205	Malonyl-CoA 	C24H38N7O19P3S	853.115602	NA	MeJP	NA	NA
+MetaCyc04193	malonyl-CoA [malonylCoenzyme A;]	C24H38N7O19P3S1	853.115602	524-14-1	metacyc	NA	NA
+PJ054180	CCCCCCCN 	C25H43N9O10S7	853.1178	NA	PeJP	NA	NA
+HMDB01052	(S)-3-Hydroxyisobutyryl-CoA	C25H42N7O18P3S	853.151978	NA	HMDB2010	NA	NA
+HMDB01166	3-Hydroxybutyryl-CoA	C25H42N7O18P3S	853.151978	NA	HMDB2010	NA	NA
+HMDB01052	(S)-3-Hydroxyisobutyryl-CoA	C25H42N7O18P3S	853.15198	http://www.hmdb.ca/metabolites/HMDB01052	HMDB	NA	NA
+HMDB01166	3-Hydroxybutyryl-CoA	C25H42N7O18P3S	853.15198	http://www.hmdb.ca/metabolites/HMDB01166	HMDB	NA	NA
+HMDB01052	(S)-3-Hydroxyisobutyryl-CoA	C25H42N7O18P3S	853.15198	HMDB01052	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01166	3-Hydroxybutyryl-CoA	C25H42N7O18P3S	853.15198	HMDB01166	PFEM_hmdb_metabocards_official	NA	NA
+MJ096206	(R)-3-Hydroxybutanoyl-CoA 	C25H42N7O18P3S	853.151987	NA	MeJP	NA	NA
+MJ096207	(S)-3-Hydroxybutanoyl-CoA 	C25H42N7O18P3S	853.151987	NA	MeJP	NA	NA
+MetaCyc04194	(S)-3-hydroxybutanoyl-CoA []	C25H42N7O18P3S1	853.151988	NA	metacyc	NA	NA
+MetaCyc04195	3-hydroxybutyryl-CoA [3-OH-butyryl-CoA;OH-butyryl-CoA;&beta;-hydroxybutyryl-S-CoA;D-3-hydroxybutyryl-CoA;hydroxy-butyryl-CoA;&beta;-hydroxybutyryl-CoA;(R)-3-Hydroxybutanoyl-CoA;(3R)-3-Hydroxybutanoyl-CoA;3-hydroxybutanoyl-CoA;]	C25H42N7O18P3S1	853.151988	NA	metacyc	NA	NA
+MetaCyc04196	4-hydroxybutyryl-CoA [4-hydroxy-butyryl-coa;]	C25H42N7O18P3S1	853.151988	NA	metacyc	NA	NA
+MetaCyc04197	3-hydroxy-isobutyryl-CoA [3-Hydroxy-2-methylpropanoyl-CoA;3-hydroxy-isobutyryl-coenzyme A;3-Hydroxy-2-methylpropionyl-CoA;]	C25H42N7O18P3S1	853.151988	NA	metacyc	NA	NA
+C01144	(S)-3-Hydroxybutanoyl-CoA	C25H42N7O18P3S	853.152	NA	KEGG	NA	NA
+C03561	(R)-3-Hydroxybutanoyl-CoA	C25H42N7O18P3S	853.152	NA	KEGG	NA	NA
+C04047	3-Hydroxy-2-methylpropanoyl-CoA	C25H42N7O18P3S	853.152	NA	KEGG	NA	NA
+C05116	3-Hydroxybutanoyl-CoA	C25H42N7O18P3S	853.152	NA	KEGG	NA	NA
+C06000	(S)-3-Hydroxyisobutyryl-CoA	C25H42N7O18P3S	853.152	NA	KEGG	NA	NA
+C11062	4-Hydroxybutyryl-CoA	C25H42N7O18P3S	853.152	NA	KEGG	NA	NA
+C05997	3-Hydroxyisopentyl-CoA	C26H46N7O17P3S	853.1884	NA	KEGG	NA	NA
+PJ054181	CCCCEMY 	C31H47N7O11S5	853.1937	NA	PeJP	NA	NA
+PJ054182	GCCCCNDH 	C28H43N11O12S4	853.1976	NA	PeJP	NA	NA
+PJ054183	CCDDMMH 	C30H47N9O12S4	853.2227	NA	PeJP	NA	NA
+PJ054184	PCCCCYY 	C35H47N7O10S4	853.2268	NA	PeJP	NA	NA
+PJ054185	DDDDDEM 	C30H43N7O20S	853.2284	NA	PeJP	NA	NA
+PJ054186	TCCCMMY 	C32H51N7O10S5	853.2301	NA	PeJP	NA	NA
+PJ054187	GCCNNNDD 	C28H43N11O16S2	853.2331	NA	PeJP	NA	NA
+PJ054188	GSCCCNMH 	C29H47N11O11S4	853.234	NA	PeJP	NA	NA
+PJ054189	CCDDDHF 	C33H43N9O14S2	853.2371	NA	PeJP	NA	NA
+PJ054190	GSCNDDDE 	C29H43N9O19S	853.2396	NA	PeJP	NA	NA
+PJ054191	GPCCNDDM 	C30H47N9O14S3	853.2405	NA	PeJP	NA	NA
+PJ054192	CCCDHHH 	C31H43N13O10S3	853.2418	NA	PeJP	NA	NA
+PJ054193	GCCDMYY 	C35H47N7O12S3	853.2445	NA	PeJP	NA	NA
+PJ054194	SSSCCCQH 	C29H47N11O13S3	853.2517	NA	PeJP	NA	NA
+PJ054195	GGGGGGSPCCC 	C29H47N11O13S3	853.2518	NA	PeJP	NA	NA
+PJ054196	SCNDDDW 	C33H43N9O16S	853.2549	NA	PeJP	NA	NA
+PJ054197	PCCCNEW 	C34H47N9O11S3	853.2558	NA	PeJP	NA	NA
+PJ054198	SSSNDDDD 	C29H43N9O21	853.2574	NA	PeJP	NA	NA
+PJ054199	NNDDDMM 	C30H47N9O16S2	853.2582	NA	PeJP	NA	NA
+PJ054200	GGNDDDMM 	C30H47N9O16S2	853.2583	NA	PeJP	NA	NA
+PJ054201	SCDMMMH 	C31H51N9O11S4	853.2591	NA	PeJP	NA	NA
+PJ054202	PDDDDDY 	C34H43N7O19	853.2614	NA	PeJP	NA	NA
+PJ054203	SSCCEYY 	C35H47N7O14S2	853.2623	NA	PeJP	NA	NA
+PJ054204	GCCMMFY 	C36H51N7O9S4	853.2631	NA	PeJP	NA	NA
+PJ054205	SDDEEEM 	C31H47N7O19S	853.2648	NA	PeJP	NA	NA
+PJ054206	PDDDMMM 	C32H51N7O14S3	853.2657	NA	PeJP	NA	NA
+PJ054207	CCCNQHF 	C33H47N11O10S3	853.267	NA	PeJP	NA	NA
+PJ054208	CCNDDER 	C29H47N11O15S2	853.2695	NA	PeJP	NA	NA
+PJ054209	GTCCCCKH 	C30H51N11O10S4	853.2704	NA	PeJP	NA	NA
+PJ054210	GPCCCWW 	C38H47N9O8S3	853.271	NA	PeJP	NA	NA
+PJ054211	NNDDDDF 	C33H43N9O18	853.2726	NA	PeJP	NA	NA
+PJ054212	GGNDDDDF 	C33H43N9O18	853.2727	NA	PeJP	NA	NA
+PJ054213	GCNDEMW 	C34H47N9O13S2	853.2735	NA	PeJP	NA	NA
+PJ054214	GSSNDDEM 	C30H47N9O18S	853.276	NA	PeJP	NA	NA
+PJ054215	GSPCNDMM 	C31H51N9O13S3	853.2769	NA	PeJP	NA	NA
+PJ054216	CNNDDHH 	C31H43N13O14S	853.2774	NA	PeJP	NA	NA
+PJ054217	GCCDFFY 	C39H47N7O11S2	853.2775	NA	PeJP	NA	NA
+PJ054218	ACMMMMH 	C32H55N9O8S5	853.2778	NA	PeJP	NA	NA
+PJ054219	SCCMHHH 	C32H47N13O9S3	853.2782	NA	PeJP	NA	NA
+PJ054220	PDDDDMF 	C35H47N7O16S	853.28	NA	PeJP	NA	NA
+PJ054221	GSCMMYY 	C36H51N7O11S3	853.2809	NA	PeJP	NA	NA
+PJ054222	GEEEEMM 	C32H51N7O16S2	853.2834	NA	PeJP	NA	NA
+PJ054223	SDDDEHH 	C32H43N11O17	853.2839	NA	PeJP	NA	NA
+PJ054224	SCCNNQW 	C33H47N11O12S2	853.2847	NA	PeJP	NA	NA
+PJ054225	GCCDDRW 	C33H47N11O12S2	853.2848	NA	PeJP	NA	NA
+PJ054226	SSSCNNNE 	C29H47N11O17S	853.2872	NA	PeJP	NA	NA
+PJ054227	GSSCDDDR 	C29H47N11O17S	853.2873	NA	PeJP	NA	NA
+PJ054228	GSPCCCER 	C30H51N11O12S3	853.2881	NA	PeJP	NA	NA
+PJ054229	CNDMWW 	C38H47N9O10S2	853.2888	NA	PeJP	NA	NA
+PJ054230	SSNDDMW 	C34H47N9O15S	853.2913	NA	PeJP	NA	NA
+PJ054231	SPCCQMW 	C35H51N9O10S3	853.2921	NA	PeJP	NA	NA
+PJ054232	GGAPPCCCF 	C35H51N9O10S3	853.2922	NA	PeJP	NA	NA
+PJ054233	SSSSNDEE 	C30H47N9O20	853.2938	NA	PeJP	NA	NA
+PJ054234	SNNEEMM 	C31H51N9O15S2	853.2946	NA	PeJP	NA	NA
+PJ054235	GGGGSEEMM 	C31H51N9O15S2	853.2947	NA	PeJP	NA	NA
+PJ054236	CNEYYY 	C39H47N7O13S	853.2953	NA	PeJP	NA	NA
+PJ054237	SSMMMMH 	C32H55N9O10S4	853.2955	NA	PeJP	NA	NA
+PJ054238	GSPCCNHH 	C32H47N13O11S2	853.296	NA	PeJP	NA	NA
+PJ054239	GCCMFFF 	C40H51N7O8S3	853.2962	NA	PeJP	NA	NA
+PJ054240	SPDDEEY 	C35H47N7O18	853.2978	NA	PeJP	NA	NA
+PJ054241	SSTCMYY 	C36H51N7O13S2	853.2986	NA	PeJP	NA	NA
+PJ054242	EEEMMW 	C36H51N7O13S2	853.2987	NA	PeJP	NA	NA
+PJ054243	CCNNNMR 	C29H51N13O11S3	853.2993	NA	PeJP	NA	NA
+PJ054244	GGCCNNMR 	C29H51N13O11S3	853.2994	NA	PeJP	NA	NA
+PJ054245	STEEEEM 	C32H51N7O18S	853.3012	NA	PeJP	NA	NA
+PJ054246	SPEEMMM 	C33H55N7O13S3	853.302	NA	PeJP	NA	NA
+PJ054247	GSSSCNNW 	C33H47N11O14S	853.3025	NA	PeJP	NA	NA
+PJ054248	SPCCCRW 	C34H51N11O9S3	853.3034	NA	PeJP	NA	NA
+PJ054249	ACCWWW 	C42H47N9O7S2	853.304	NA	PeJP	NA	NA
+PJ054250	GSSSSSNND 	C29H47N11O19	853.305	NA	PeJP	NA	NA
+PJ054251	SCNDEMR 	C30H51N11O14S2	853.3059	NA	PeJP	NA	NA
+MJ096208	Lacto-N-fucopentaose I 	C32H55NO25	853.306316	NA	MeJP	NA	NA
+MJ096209	?-L-Fucopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?3)]-2-amino-2-deoxy-?-D-glucopyranosyl-(1?3)-?-D-galactopyranosyl-(1?4)-D-glucose; N-Ac 	C32H55NO25	853.306316	NA	MeJP	NA	NA
+HMDB06576	Lacto-N-fucopentaose III	C32H55NO25	853.306335	NA	HMDB2010	NA	NA
+HMDB06577	Lacto-N-fucopentaose-2	C32H55NO25	853.306335	NA	HMDB2010	NA	NA
+HMDB06696	Lex-lactose	C32H55NO25	853.306335	NA	HMDB2010	NA	NA
+HMDB06705	Lacto-n-fucopentaose I	C32H55NO25	853.306335	NA	HMDB2010	NA	NA
+HMDB06706	Lacto-N-fucopentaose V	C32H55NO25	853.306335	NA	HMDB2010	NA	NA
+HMDB06576	Lacto-N-fucopentaose III	C32H55NO25	853.30634	http://www.hmdb.ca/metabolites/HMDB06576	HMDB	NA	NA
+HMDB06577	Lacto-N-fucopentaose-2	C32H55NO25	853.30634	http://www.hmdb.ca/metabolites/HMDB06577	HMDB	NA	NA
+HMDB06696	Not Available	C32H55NO25	853.30634	http://www.hmdb.ca/metabolites/HMDB06696	HMDB	NA	NA
+HMDB06705	Lacto-n-fucopentaose I	C32H55NO25	853.30634	http://www.hmdb.ca/metabolites/HMDB06705	HMDB	NA	NA
+HMDB06706	Lacto-N-fucopentaose V	C32H55NO25	853.30634	http://www.hmdb.ca/metabolites/HMDB06706	HMDB	NA	NA
+HMDB06576	Lacto-N-fucopentaose III	C32H55NO25	853.30634	HMDB06576	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06577	Lacto-N-fucopentaose-2	C32H55NO25	853.30634	HMDB06577	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06696	Not Available	C32H55NO25	853.30634	HMDB06696	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06705	Lacto-n-fucopentaose I	C32H55NO25	853.30634	HMDB06705	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06706	Lacto-N-fucopentaose V	C32H55NO25	853.30634	HMDB06706	PFEM_hmdb_metabocards_official	NA	NA
+PJ054252	GSSCEWW 	C38H47N9O12S	853.3065	NA	PeJP	NA	NA
+PJ054253	PCCNMMR 	C31H55N11O9S4	853.3067	NA	PeJP	NA	NA
+PJ054254	GGPCCMMR 	C31H55N11O9S4	853.3068	NA	PeJP	NA	NA
+PJ054255	CMMHFW 	C39H51N9O7S3	853.3074	NA	PeJP	NA	NA
+PJ054256	GSSSSDEW 	C34H47N9O17	853.309	NA	PeJP	NA	NA
+PJ054257	GSNEMMW 	C35H51N9O12S2	853.3099	NA	PeJP	NA	NA
+PJ054258	GCYYYW 	C43H47N7O10S	853.3105	NA	PeJP	NA	NA
+PJ054259	ACCHHHF 	C36H47N13O8S2	853.3112	NA	PeJP	NA	NA
+PJ054260	GSSSQEEM 	C31H51N9O17S	853.3124	NA	PeJP	NA	NA
+PJ054261	GSSDYYY 	C39H47N7O15	853.313	NA	PeJP	NA	NA
+PJ054262	DEEEFW 	C39H47N7O15	853.3131	NA	PeJP	NA	NA
+PJ054263	GQQEMMM 	C32H55N9O12S3	853.3133	NA	PeJP	NA	NA
+PJ054264	SNNDMHH 	C32H47N13O13S	853.3137	NA	PeJP	NA	NA
+PJ054265	GGGGSDMHH 	C32H47N13O13S	853.3138	NA	PeJP	NA	NA
+PJ054266	CQMFYY 	C40H51N7O10S2	853.3139	NA	PeJP	NA	NA
+MJ096210	Sulfurmycin B; 10-Hydroxy 	C43H51NO17	853.315699	NA	MeJP	NA	NA
+PJ054267	GPEEEMY 	C36H51N7O15S	853.3164	NA	PeJP	NA	NA
+PJ054268	SCCDDRR 	C29H51N13O13S2	853.3171	NA	PeJP	NA	NA
+PJ054269	PPCEMMF 	C37H55N7O10S3	853.3173	NA	PeJP	NA	NA
+PJ054270	GCNNNFW 	C37H47N11O11S	853.3178	NA	PeJP	NA	NA
+PJ054271	SVEEEMM 	C33H55N7O15S2	853.3198	NA	PeJP	NA	NA
+PJ054272	SNNNNEY 	C33H47N11O16	853.3202	NA	PeJP	NA	NA
+PJ054273	GNDDDRY 	C33H47N11O16	853.3203	NA	PeJP	NA	NA
+PJ054274	PVDMMMM 	C34H59N7O10S4	853.3207	NA	PeJP	NA	NA
+PJ054275	GSCDMRW 	C34H51N11O11S2	853.3211	NA	PeJP	NA	NA
+PJ054276	GDDHHHH 	C34H43N15O12	853.3216	NA	PeJP	NA	NA
+PJ054277	SSCWWW 	C42H47N9O9S	853.3218	NA	PeJP	NA	NA
+PJ054278	GSSSDDMR 	C30H51N11O16S	853.3236	NA	PeJP	NA	NA
+PJ054279	SSSSDWW 	C38H47N9O14	853.3243	NA	PeJP	NA	NA
+PJ054280	GNDMMMR 	C31H55N11O11S3	853.3245	NA	PeJP	NA	NA
+PJ054281	SNMMWW 	C39H51N9O9S2	853.3251	NA	PeJP	NA	NA
+PJ054282	GGSMMWW 	C39H51N9O9S2	853.3252	NA	PeJP	NA	NA
+PJ054283	SSSQEMW 	C35H51N9O14S	853.3276	NA	PeJP	NA	NA
+PJ054284	GGSSTEMW 	C35H51N9O14S	853.3277	NA	PeJP	NA	NA
+PJ054285	QQMMMW 	C36H55N9O9S3	853.3285	NA	PeJP	NA	NA
+PJ054286	GSCQHHW 	C36H47N13O10S	853.329	NA	PeJP	NA	NA
+PJ054287	SSSSTQEE 	C31H51N9O19	853.3301	NA	PeJP	NA	NA
+PJ054288	GGSSSTTEE 	C31H51N9O19	853.3302	NA	PeJP	NA	NA
+MJ096211	Taxol? 	C47H51NO14	853.330955	NA	MeJP	NA	NA
+MJ096212	Taxol? 	C47H51NO14	853.330955	NA	MeJP	NA	NA
+C07394	Paclitaxel	C47H51NO14	853.331	NA	KEGG	NA	NA
+PJ054289	SNDKEMM 	C32H55N9O14S2	853.331	NA	PeJP	NA	NA
+PJ054290	GSSSNEHH 	C32H47N13O15	853.3315	NA	PeJP	NA	NA
+PJ054291	PEEMYW 	C40H51N7O12S	853.3317	NA	PeJP	NA	NA
+PJ054292	PCNKMMM 	C33H59N9O9S4	853.3319	NA	PeJP	NA	NA
+PJ054293	GNQMMHH 	C33H51N13O10S2	853.3324	NA	PeJP	NA	NA
+PJ054294	GVEEEEY 	C36H51N7O17	853.3342	NA	PeJP	NA	NA
+PJ054295	SSSSCNNR 	C29H51N13O15S	853.3349	NA	PeJP	NA	NA
+PJ054296	SPPEMMY 	C37H55N7O12S2	853.335	NA	PeJP	NA	NA
+PJ054297	APEEMMF 	C37H55N7O12S2	853.3351	NA	PeJP	NA	NA
+PJ054298	GSNNNYW 	C37H47N11O13	853.3355	NA	PeJP	NA	NA
+PJ054299	GCCEMRR 	C30H55N13O10S3	853.3357	NA	PeJP	NA	NA
+PJ054300	GGGACCCKR 	C30H55N13O10S3	853.3358	NA	PeJP	NA	NA
+PJ054301	TCCRWW 	C38H51N11O8S2	853.3364	NA	PeJP	NA	NA
+PJ054302	ALEEMMM 	C34H59N7O12S3	853.3384	NA	PeJP	NA	NA
+PJ054303	SSSCERW 	C34H51N11O13S	853.3389	NA	PeJP	NA	NA
+PJ054304	GNEYWW 	C42H47N9O11	853.3395	NA	PeJP	NA	NA
+PJ054305	CQMMRW 	C35H55N11O8S3	853.3398	NA	PeJP	NA	NA
+PJ054306	SPCHHHH 	C35H47N15O9S	853.3402	NA	PeJP	NA	NA
+PJ054307	SSSSSDER 	C30H51N11O18	853.3414	NA	PeJP	NA	NA
+PJ054308	SSNEMMR 	C31H55N11O13S2	853.3423	NA	PeJP	NA	NA
+PJ054309	NNNNNQH 	C31H47N15O14	853.3427	NA	PeJP	NA	NA
+PJ054310	GGGGGGGGNQH 	C31H47N15O14	853.3428	NA	PeJP	NA	NA
+PJ054311	GSSTMWW 	C39H51N9O11S	853.3429	NA	PeJP	NA	NA
+PJ054312	GCNMHHR 	C32H51N15O9S2	853.3436	NA	PeJP	NA	NA
+PJ054313	GSSSTTEW 	C35H51N9O16	853.3454	NA	PeJP	NA	NA
+PJ054314	GSDKMMW 	C36H55N9O11S2	853.3463	NA	PeJP	NA	NA
+PJ054315	SSSNHHW 	C36H47N13O12	853.3467	NA	PeJP	NA	NA
+PJ054316	GGSSSHHW 	C36H47N13O12	853.3468	NA	PeJP	NA	NA
+PJ054317	CQFFFY 	C44H51N7O9S	853.3469	NA	PeJP	NA	NA
+PJ054318	GSSSKEEM 	C32H55N9O16S	853.3488	NA	PeJP	NA	NA
+PJ054319	VEEEYW 	C40H51N7O14	853.3494	NA	PeJP	NA	NA
+PJ054320	GQKEMMM 	C33H59N9O11S3	853.3496	NA	PeJP	NA	NA
+PJ054321	GGAKEMMM 	C33H59N9O11S3	853.3497	NA	PeJP	NA	NA
+PJ054322	GCNNQRY 	C33H51N13O12S	853.3501	NA	PeJP	NA	NA
+PJ054323	GGGGGGGAPMH 	C33H51N13O12S	853.3502	NA	PeJP	NA	NA
+PJ054324	CKMFYY 	C41H55N7O9S2	853.3503	NA	PeJP	NA	NA
+PJ054325	PNDHWW 	C41H47N11O10	853.3508	NA	PeJP	NA	NA
+PJ054326	CCMRRW 	C34H55N13O7S3	853.351	NA	PeJP	NA	NA
+PJ054327	SPVEEMY 	C37H55N7O14S	853.3528	NA	PeJP	NA	NA
+PJ054328	SSCDMRR 	C30H55N13O12S2	853.3535	NA	PeJP	NA	NA
+PJ054329	PPCLMMY 	C38H59N7O9S3	853.3537	NA	PeJP	NA	NA
+PJ054330	CNEFRW 	C38H51N11O10S	853.3541	NA	PeJP	NA	NA
+PJ054331	GGCEFRW 	C38H51N11O10S	853.3542	NA	PeJP	NA	NA
+PJ054332	NYWWW 	C46H47N9O8	853.3548	NA	PeJP	NA	NA
+PJ054333	TTLEEMM 	C34H59N7O14S2	853.3562	NA	PeJP	NA	NA
+PJ054334	GSNEERY 	C34H51N11O15	853.3566	NA	PeJP	NA	NA
+PJ054335	GGGSEERY 	C34H51N11O15	853.3567	NA	PeJP	NA	NA
+PJ054336	PTLMMMM 	C35H63N7O9S4	853.357	NA	PeJP	NA	NA
+PJ054337	GSSMMRW 	C35H55N11O10S2	853.3575	NA	PeJP	NA	NA
+PJ054338	GTEHHHH 	C35H47N15O11	853.358	NA	PeJP	NA	NA
+PJ054339	GQMFWW 	C43H51N9O8S	853.3582	NA	PeJP	NA	NA
+PJ054340	GSSSTEMR 	C31H55N11O15S	853.36	NA	PeJP	NA	NA
+PJ054341	SSSTTWW 	C39H51N9O13	853.3606	NA	PeJP	NA	NA
+PJ054342	NDKEYW 	C39H51N9O13	853.3607	NA	PeJP	NA	NA
+PJ054343	GTQMMMR 	C32H59N11O10S3	853.3609	NA	PeJP	NA	NA
+PJ054344	SSCQHHR 	C32H51N15O11S	853.3613	NA	PeJP	NA	NA
+PJ054345	GGSTCHHR 	C32H51N15O11S	853.3614	NA	PeJP	NA	NA
+PJ054346	TCKMWW 	C40H55N9O8S2	853.3615	NA	PeJP	NA	NA
+PJ054347	NNHHFW 	C40H47N13O9	853.362	NA	PeJP	NA	NA
+PJ054348	SSSKEMW 	C36H55N9O13S	853.364	NA	PeJP	NA	NA
+PJ054349	GGGGALEMY 	C36H55N9O13S	853.3641	NA	PeJP	NA	NA
+PJ054350	PPEYYW 	C44H51N7O11	853.3647	NA	PeJP	NA	NA
+PJ054351	QKMMMW 	C37H59N9O8S3	853.3649	NA	PeJP	NA	NA
+PJ054352	GSCKHHW 	C37H51N13O9S	853.3654	NA	PeJP	NA	NA
+PJ054353	SSSSTKEE 	C32H55N9O18	853.3665	NA	PeJP	NA	NA
+PJ054354	STQKEMM 	C33H59N9O13S2	853.3674	NA	PeJP	NA	NA
+PJ054355	SSNNNRY 	C33H51N13O14	853.3679	NA	PeJP	NA	NA
+PJ054356	SKMYYY 	C41H55N7O11S	853.368	NA	PeJP	NA	NA
+PJ054357	LEEMFW 	C41H55N7O11S	853.3681	NA	PeJP	NA	NA
+PJ054358	ACQKMHH 	C34H55N13O9S2	853.3687	NA	PeJP	NA	NA
+PJ054359	GPCCRRY 	C34H55N13O9S2	853.3688	NA	PeJP	NA	NA
+PJ054360	GCFRWW 	C42H51N11O7S	853.3694	NA	PeJP	NA	NA
+PJ054361	ATLEEEY 	C37H55N7O16	853.3706	NA	PeJP	NA	NA
+PJ054362	APLEMMY 	C38H59N7O11S2	853.3714	NA	PeJP	NA	NA
+PJ054363	SNERYW 	C38H51N11O12	853.3719	NA	PeJP	NA	NA
+PJ054364	GTCMMRR 	C31H59N13O9S3	853.3721	NA	PeJP	NA	NA
+PJ054365	LMMHHW 	C39H55N11O7S2	853.3728	NA	PeJP	NA	NA
+PJ054366	THHHHW 	C39H47N15O8	853.3732	NA	PeJP	NA	NA
+PJ054367	SLLEMMM 	C35H63N7O11S3	853.3748	NA	PeJP	NA	NA
+PJ054368	SSSTMRW 	C35H55N11O12S	853.3753	NA	PeJP	NA	NA
+PJ054369	GDKYWW 	C43H51N9O10	853.3759	NA	PeJP	NA	NA
+PJ054370	CKMMRW 	C36H59N11O7S3	853.3761	NA	PeJP	NA	NA
+PJ054371	GVMHHHH 	C36H51N15O8S	853.3766	NA	PeJP	NA	NA
+PJ054372	SSSSTTER 	C31H55N11O17	853.3778	NA	PeJP	NA	NA
+PJ054373	SSDKMMR 	C32H59N11O12S2	853.3786	NA	PeJP	NA	NA
+PJ054374	GGGSSCKKM 	C32H59N11O12S2	853.3787	NA	PeJP	NA	NA
+PJ054375	GSSSSHHR 	C32H51N15O13	853.3791	NA	PeJP	NA	NA
+PJ054376	GGGGGGGGGGKH 	C32H51N15O13	853.3792	NA	PeJP	NA	NA
+PJ054377	VQQMYW 	C40H55N9O10S	853.3793	NA	PeJP	NA	NA
+PJ054378	ACCKHHR 	C33H55N15O8S2	853.38	NA	PeJP	NA	NA
+PJ054379	SSSSSTLW 	C36H55N9O15	853.3818	NA	PeJP	NA	NA
+PJ054380	GTTKMMW 	C37H59N9O10S2	853.3827	NA	PeJP	NA	NA
+PJ054381	GSPDHRW 	C37H51N13O11	853.3831	NA	PeJP	NA	NA
+PJ054382	GGGGGVQHW 	C37H51N13O11	853.3832	NA	PeJP	NA	NA
+PJ054383	CKFFFY 	C45H55N7O8S	853.3833	NA	PeJP	NA	NA
+PJ054384	GSTTTKEM 	C33H59N9O15S	853.3852	NA	PeJP	NA	NA
+PJ054385	SPPVEYY 	C41H55N7O13	853.3858	NA	PeJP	NA	NA
+PJ054386	GKKEMMM 	C34H63N9O10S3	853.386	NA	PeJP	NA	NA
+PJ054387	NDMRRY 	C34H55N13O11S	853.3865	NA	PeJP	NA	NA
+PJ054388	PPCLMFF 	C42H59N7O8S2	853.3867	NA	PeJP	NA	NA
+PJ054389	GSRYWW 	C42H51N11O9	853.3872	NA	PeJP	NA	NA
+PJ054390	MHHHHR 	C35H51N17O7S	853.3879	NA	PeJP	NA	NA
+PJ054391	GLLEEMY 	C38H59N7O13S	853.3892	NA	PeJP	NA	NA
+PJ054392	SSSMMRR 	C31H59N13O11S2	853.3899	NA	PeJP	NA	NA
+PJ054393	PVVMMMF 	C39H63N7O8S3	853.3901	NA	PeJP	NA	NA
+PJ054394	AQMRYW 	C39H55N11O9S	853.3905	NA	PeJP	NA	NA
+PJ054395	AHFFFW 	C47H51N9O7	853.3912	NA	PeJP	NA	NA
+PJ054396	GSDKERY 	C35H55N11O14	853.393	NA	PeJP	NA	NA
+PJ054397	GGGVVVDDH 	C35H55N11O14	853.3931	NA	PeJP	NA	NA
+PJ054398	VVLMMMM 	C36H67N7O8S4	853.3934	NA	PeJP	NA	NA
+PJ054399	GPCKMRY 	C36H59N11O9S2	853.3939	NA	PeJP	NA	NA
+PJ054400	NNQHRW 	C36H51N15O10	853.3944	NA	PeJP	NA	NA
+PJ054401	GKMFWW 	C44H55N9O7S	853.3946	NA	PeJP	NA	NA
+PJ054402	SSSSSLMR 	C32H59N11O14S	853.3964	NA	PeJP	NA	NA
+PJ054403	TQKEYW 	C40H55N9O12	853.397	NA	PeJP	NA	NA
+PJ054404	GATKEYW 	C40H55N9O12	853.3971	NA	PeJP	NA	NA
+PJ054405	GTKMMMR 	C33H63N11O9S3	853.3973	NA	PeJP	NA	NA
+PJ054406	GPCEHRR 	C33H55N15O10S	853.3977	NA	PeJP	NA	NA
+PJ054407	APCDHRR 	C33H55N15O10S	853.3978	NA	PeJP	NA	NA
+PJ054408	STTTKMW 	C37H59N9O12S	853.4004	NA	PeJP	NA	NA
+MJ096213	Hymenamide E 	C45H55N7O10	853.401041	NA	MeJP	NA	NA
+PJ054409	PLEFYW 	C45H55N7O10	853.4011	NA	PeJP	NA	NA
+PJ054410	KKMMMW 	C38H63N9O7S3	853.4013	NA	PeJP	NA	NA
+PJ054411	ACRRYW 	C38H55N13O8S	853.4018	NA	PeJP	NA	NA
+PJ054412	SSTTTTKE 	C33H59N9O17	853.4029	NA	PeJP	NA	NA
+PJ054413	STKKEMM 	C34H63N9O12S2	853.4038	NA	PeJP	NA	NA
+PJ054414	GSSERRY 	C34H55N13O13	853.4043	NA	PeJP	NA	NA
+PJ054415	LLEMYW 	C42H59N7O10S	853.4044	NA	PeJP	NA	NA
+PJ054416	PVVDMFF 	C42H59N7O10S	853.4045	NA	PeJP	NA	NA
+PJ054417	NMMFRR 	C35H59N13O8S2	853.4051	NA	PeJP	NA	NA
+PJ054418	GPNHHHR 	C35H51N17O9	853.4056	NA	PeJP	NA	NA
+PJ054419	STLLEEY 	C38H59N7O15	853.4069	NA	PeJP	NA	NA
+PJ054420	SPLLMMY 	C39H63N7O10S2	853.4078	NA	PeJP	NA	NA
+PJ054421	SDKRYW 	C39H55N11O11	853.4083	NA	PeJP	NA	NA
+PJ054422	ASVQMRY 	C36H59N11O11S	853.4116	NA	PeJP	NA	NA
+PJ054423	QKEMRY 	C36H59N11O11S	853.4117	NA	PeJP	NA	NA
+PJ054424	ATKYWW 	C44H55N9O9	853.4123	NA	PeJP	NA	NA
+PJ054425	PCHRRW 	C37H55N15O7S	853.413	NA	PeJP	NA	NA
+PJ054426	SSTTTTTR 	C32H59N11O16	853.4141	NA	PeJP	NA	NA
+PJ054427	GSSSSSSKK 	C32H59N11O16	853.4142	NA	PeJP	NA	NA
+PJ054428	STTKMMR 	C33H63N11O11S2	853.415	NA	PeJP	NA	NA
+PJ054429	QEEHRR 	C33H55N15O12	853.4155	NA	PeJP	NA	NA
+PJ054430	VQKMYW 	C41H59N9O9S	853.4157	NA	PeJP	NA	NA
+6998	potential coeliac toxic peptide (extended motif)	QPFRPQQPYPQPQP	853.417	MH2+	Inhouse_peptide	NA	peptide
+6999	potential coeliac toxic peptide (extended motif)	PFRPQQPYPQPQPQ	853.417	MH2+	Inhouse_peptide	NA	peptide
+PJ054431	GTKKEEY 	C37H59N9O14	853.4182	NA	PeJP	NA	NA
+PJ054432	AVQKMMF 	C38H63N9O9S2	853.419	NA	PeJP	NA	NA
+PJ054433	GPKKMMY 	C38H63N9O9S2	853.4191	NA	PeJP	NA	NA
+PJ054434	SSRRYW 	C38H55N13O10	853.4195	NA	PeJP	NA	NA
+PJ054435	SSSTTLKM 	C34H63N9O14S	853.4215	NA	PeJP	NA	NA
+PJ054436	GPLLEYY 	C42H59N7O12	853.4222	NA	PeJP	NA	NA
+PJ054437	SVKKMMM 	C35H67N9O9S3	853.4224	NA	PeJP	NA	NA
+PJ054438	TQMRRY 	C35H59N13O10S	853.4229	NA	PeJP	NA	NA
+PJ054439	PTKHWW 	C43H55N11O8	853.4235	NA	PeJP	NA	NA
+PJ054440	GGVLHWW 	C43H55N11O8	853.4236	NA	PeJP	NA	NA
+PJ054441	SVLLEMY 	C39H63N7O12S	853.4256	NA	PeJP	NA	NA
+PJ054442	DDHRRR 	C32H55N17O11	853.4267	NA	PeJP	NA	NA
+PJ054443	GGGGGTHRR 	C32H55N17O11	853.4268	NA	PeJP	NA	NA
+PJ054444	AKMRYW 	C40H59N11O8S	853.4269	NA	PeJP	NA	NA
+PJ054445	GTTKERY 	C36H59N11O13	853.4294	NA	PeJP	NA	NA
+PJ054446	AAKMMFR 	C37H63N11O8S2	853.4303	NA	PeJP	NA	NA
+PJ054447	AEHRRW 	C37H55N15O9	853.4308	NA	PeJP	NA	NA
+PJ054448	SSSSCKKK 	C33H63N11O13S	853.4328	NA	PeJP	NA	NA
+PJ054449	TKKEYW 	C41H59N9O11	853.4334	NA	PeJP	NA	NA
+PJ054450	GGPPVLEW 	C41H59N9O11	853.4335	NA	PeJP	NA	NA
+PJ054451	TCRRRY 	C34H59N15O9S	853.4341	NA	PeJP	NA	NA
+PJ054452	GLHRWW 	C42H55N13O7	853.4348	NA	PeJP	NA	NA
+MJ096214	Cyclosquamosin B; S-Oxide 	C38H63N9O11S	853.436774	NA	MeJP	NA	NA
+PJ054453	GVKKEMY 	C38H63N9O11S	853.4368	NA	PeJP	NA	NA
+PJ054454	PLLYYW 	C46H59N7O9	853.4375	NA	PeJP	NA	NA
+PJ054455	PKMHRW 	C39H59N13O7S	853.4382	NA	PeJP	NA	NA
+PJ054456	TTTTTTTK 	C34H63N9O16	853.4393	NA	PeJP	NA	NA
+PJ054457	GTTTRRY 	C35H59N13O12	853.4406	NA	PeJP	NA	NA
+PJ054458	APPEERR 	C35H59N13O12	853.4407	NA	PeJP	NA	NA
+PJ054459	APLLMFY 	C43H63N7O9S	853.4408	NA	PeJP	NA	NA
+3617	NA	HIGPGRAF	853.442	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ054460	ALLLMMY 	C40H67N7O9S2	853.4442	NA	PeJP	NA	NA
+PJ054461	TTKRYW 	C40H59N11O10	853.4447	NA	PeJP	NA	NA
+MJ096215	Halichondramide; 5,6-Dihydro, 5-amino 	C44H63N5O12	853.447322	NA	MeJP	NA	NA
+PJ054462	KKEMRY 	C37H63N11O10S	853.448	NA	PeJP	NA	NA
+PJ054463	GGACKKKY 	C37H63N11O10S	853.4481	NA	PeJP	NA	NA
+PJ054464	GPPVLWW 	C45H59N9O8	853.4487	NA	PeJP	NA	NA
+MJ096216	Antibiotic LL-BM 782?2 	C33H63N11O15	853.45051	NA	MeJP	NA	NA
+MJ096217	Antibiotic LL-BM 782?2 	C33H63N11O15	853.45051	NA	MeJP	NA	NA
+PJ054465	KEEHRR 	C34H59N15O11	853.4519	NA	PeJP	NA	NA
+PJ054466	VKKMYW 	C42H63N9O8S	853.4521	NA	PeJP	NA	NA
+PJ054467	SSLKKEY 	C38H63N9O13	853.4546	NA	PeJP	NA	NA
+PJ054468	GLKKMMF 	C39H67N9O8S2	853.4554	NA	PeJP	NA	NA
+PJ054469	VKEHRW 	C39H59N13O9	853.4559	NA	PeJP	NA	NA
+PJ054470	SPVLLYY 	C43H63N7O11	853.4586	NA	PeJP	NA	NA
+PJ054471	TKMRRY 	C36H63N13O9S	853.4593	NA	PeJP	NA	NA
+PJ054472	PPLRWW 	C44H59N11O7	853.4599	NA	PeJP	NA	NA
+PJ054473	TTLLLMY 	C40H67N7O11S	853.462	NA	PeJP	NA	NA
+MJ096218	Vinblastine; O17-(2-Dimethylaminoacetyl) 	C48H63N5O9	853.462578	NA	MeJP	NA	NA
+PJ054474	TEHRRR 	C33H59N17O10	853.4631	NA	PeJP	NA	NA
+PJ054475	SSTLKRY 	C37H63N11O12	853.4658	NA	PeJP	NA	NA
+PJ054476	SLHRRW 	C38H59N15O8	853.4671	NA	PeJP	NA	NA
+PJ054477	PPVVKEW 	C42H63N9O10	853.4698	NA	PeJP	NA	NA
+PJ054478	AALMHRR 	C35H63N15O8S	853.4705	NA	PeJP	NA	NA
+PJ054479	ATLKKMY 	C39H67N9O10S	853.4732	NA	PeJP	NA	NA
+PJ054480	LLLFYW 	C47H63N7O8	853.4738	NA	PeJP	NA	NA
+PJ054481	APLLFFF 	C47H63N7O8	853.4739	NA	PeJP	NA	NA
+PJ054482	SPPLERR 	C36H63N13O11	853.477	NA	PeJP	NA	NA
+PJ054483	GGPPDKKR 	C36H63N13O11	853.4771	NA	PeJP	NA	NA
+PJ054484	ALLLMFF 	C44H67N7O8S	853.4772	NA	PeJP	NA	NA
+PJ054485	SPPVLRW 	C41H63N11O9	853.4811	NA	PeJP	NA	NA
+PJ054486	VMHRRR 	C34H63N17O7S	853.4818	NA	PeJP	NA	NA
+MJ096219	Platenomycin W2 	C44H71NO15	853.48237	NA	MeJP	NA	NA
+MJ096220	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H71NO15	853.48237	NA	MeJP	NA	NA
+MJ096221	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H71NO15	853.48237	NA	MeJP	NA	NA
+PJ054487	GCKKKKY 	C38H67N11O9S	853.4844	NA	PeJP	NA	NA
+PJ054488	VKKFFW 	C46H63N9O7	853.4851	NA	PeJP	NA	NA
+PJ054489	ATTLHRR 	C35H63N15O10	853.4883	NA	PeJP	NA	NA
+PJ054490	TTTLKKY 	C39H67N9O12	853.4909	NA	PeJP	NA	NA
+PJ054491	GPPTLLKE 	C39H67N9O12	853.491	NA	PeJP	NA	NA
+PJ054492	QKKKHW 	C40H63N13O8	853.4923	NA	PeJP	NA	NA
+PJ054493	GLLLLYY 	C44H67N7O10	853.495	NA	PeJP	NA	NA
+PJ054494	PPVVMRR 	C37H67N13O8S	853.4957	NA	PeJP	NA	NA
+PJ054495	AAPQRRR 	C34H63N17O9	853.4995	NA	PeJP	NA	NA
+PJ054496	PVLLQER 	C38H67N11O11	853.5022	NA	PeJP	NA	NA
+PJ054497	PPTLLKW 	C43H67N9O9	853.5062	NA	PeJP	NA	NA
+PJ054498	GPPVLLKM 	C40H71N9O9S	853.5096	NA	PeJP	NA	NA
+PJ054499	PNRRRR 	C33H63N19O8	853.5107	NA	PeJP	NA	NA
+PJ054500	GGPRRRR 	C33H63N19O8	853.5108	NA	PeJP	NA	NA
+PJ054501	APLLERR 	C37H67N13O10	853.5134	NA	PeJP	NA	NA
+PJ054502	APPKKKW 	C42H67N11O8	853.5174	NA	PeJP	NA	NA
+PJ054503	GPLLLRW 	C42H67N11O8	853.5175	NA	PeJP	NA	NA
+PJ054504	PPLLKMR 	C39H71N11O8S	853.5208	NA	PeJP	NA	NA
+7515	ACE inhibitor from myosin light chain	VKKVLGNP	853.5239	antioxidative	Inhouse_peptide	NA	peptide
+PJ054505	GPLQKRR 	C36H67N15O9	853.5247	NA	PeJP	NA	NA
+PJ054506	SSPPLLLK 	C40H71N9O11	853.5273	NA	PeJP	NA	NA
+PJ054507	AAPLLLKE 	C40H71N9O11	853.5274	NA	PeJP	NA	NA
+PJ054508	KKKKHW 	C41H67N13O7	853.5287	NA	PeJP	NA	NA
+PJ054509	AAPKRRR 	C35H67N17O8	853.5359	NA	PeJP	NA	NA
+PJ054510	PVLLKER 	C39H71N11O10	853.5386	NA	PeJP	NA	NA
+PJ054511	PVVLLKW 	C44H71N9O8	853.5426	NA	PeJP	NA	NA
+PJ054512	SPLLLRR 	C38H71N13O9	853.5498	NA	PeJP	NA	NA
+EUR1020	PC 40:7 [M+Na]+	C48H82NO8P	853.559753	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1020	PC 40:7 [M+Na]+	C48H82NO8P	853.559753	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1020	PC 40:7 [M+Na]+	C48H82NO8P	853.559753	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1020	PC 40:7 [M+Na]+	C48H82NO8P	853.559753	masses lipides attendues	Inhousejuil11	NA	NA
+PJ054513	GPLKKRR 	C37H71N15O8	853.5611	NA	PeJP	NA	NA
+HMDB08452	PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08485	PC(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08516	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08517	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08675	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08708	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08739	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+HMDB08740	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	C50H80NO8P	853.562134	NA	HMDB2010	NA	NA
+PJ054514	GPTLLLLK 	C41H75N9O10	853.5637	NA	PeJP	NA	NA
+PJ054515	VLLLLQR 	C40H75N11O9	853.575	NA	PeJP	NA	NA
+EUR1002	PC 38:5 [M+FA-H]-	C46H82NO8P	853.582687	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1002	PC 38:5 [M+FA-H]-	C46H82NO8P	853.582687	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1002	PC 38:5 [M+FA-H]-	C46H82NO8P	853.582687	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1002	PC 38:5 [M+FA-H]-	C46H82NO8P	853.582687	masses lipides attendues	Inhousejuil11	NA	NA
+PJ054516	ALLLLRR 	C39H75N13O8	853.5862	NA	PeJP	NA	NA
+PJ054517	AALLLLLK 	C42H79N9O9	853.6001	NA	PeJP	NA	NA
+PJ054518	VLLLLKR 	C41H79N11O8	853.6113	NA	PeJP	NA	NA
+HMDB09311	PE(20:2(11Z,14Z)/24:1(15Z))	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09343	PE(20:3(5Z,8Z,11Z)/24:0)	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09376	PE(20:3(8Z,11Z,14Z)/24:0)	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09536	PE(22:1(13Z)/22:2(13Z,16Z))	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09568	PE(22:2(13Z,16Z)/22:1(13Z))	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09727	PE(24:0/20:3(5Z,8Z,11Z))	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09728	PE(24:0/20:3(8Z,11Z,14Z))	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB09759	PE(24:1(15Z)/20:2(11Z,14Z))	C49H92NO8P	853.656067	NA	HMDB2010	NA	NA
+HMDB08819	PC(24:1(15Z)/P-18:1(11Z))	C50H96NO7P	853.692444	NA	HMDB2010	NA	NA
+HMDB08820	PC(24:1(15Z)/P-18:1(9Z))	C50H96NO7P	853.692444	NA	HMDB2010	NA	NA
+HMDB11297	PC(P-18:1(11Z)/24:1(15Z))	C50H96NO7P	853.692444	NA	HMDB2010	NA	NA
+HMDB11330	PC(P-18:1(9Z)/24:1(15Z))	C50H96NO7P	853.692444	NA	HMDB2010	NA	NA
+HMDB13458	PC(o-24:0/18:3(6Z,9Z,12Z))	C50H96NO7P	853.692444	NA	HMDB2010	NA	NA
+HMDB13459	PC(o-24:0/18:3(9Z,12Z,15Z))	C50H96NO7P	853.692444	NA	HMDB2010	NA	NA
+PJ054519	CCCCCCCD 	C25H42N8O11S7	854.1018	NA	PeJP	NA	NA
+MJ096222	3',3''',3''''',4',4''',4''''',5,5'',5'''',7,7'',7''''-Dodecahydroxy-2',8'':2''',8''''-triflavone 	C45H26O18	854.111914	NA	MeJP	NA	NA
+MJ096223	Aulacomniumtriluteolin 	C45H26O18	854.111914	NA	MeJP	NA	NA
+MJ096224	Strictatriluteolin 	C45H26O18	854.111914	NA	MeJP	NA	NA
+PJ054520	SCCCCCCM 	C26H46N8O10S7	854.1382	NA	PeJP	NA	NA
+PJ054521	ACCCCCCF 	C30H46N8O9S6	854.1712	NA	PeJP	NA	NA
+PJ054522	GCCCCDDH 	C28H42N10O13S4	854.1816	NA	PeJP	NA	NA
+PJ054523	GTCCCCCY 	C30H46N8O11S5	854.189	NA	PeJP	NA	NA
+PJ054524	SPCCCCCH 	C29H46N10O10S5	854.2002	NA	PeJP	NA	NA
+PJ054525	SSSCCCCY 	C30H46N8O13S4	854.2067	NA	PeJP	NA	NA
+PJ054526	PPCCCCDD 	C30H46N8O13S4	854.2068	NA	PeJP	NA	NA
+PJ054527	GCCNNDDD 	C28H42N10O17S2	854.2171	NA	PeJP	NA	NA
+PJ054528	GSCCCDMH 	C29H46N10O12S4	854.218	NA	PeJP	NA	NA
+PJ054529	CCCCNFY 	C34H46N8O10S4	854.222	NA	PeJP	NA	NA
+PJ054530	GSCDDDDE 	C29H42N8O20S	854.2237	NA	PeJP	NA	NA
+PJ054531	GPCCDDDM 	C30H46N8O15S3	854.2245	NA	PeJP	NA	NA
+PJ054532	TCCCCHW 	C33H46N10O9S4	854.2332	NA	PeJP	NA	NA
+PJ054533	SSSCCCEH 	C29H46N10O14S3	854.2357	NA	PeJP	NA	NA
+PJ054534	GGSPCCCND 	C29H46N10O14S3	854.2358	NA	PeJP	NA	NA
+PJ054535	CCCQMMH 	C30H50N10O9S5	854.2366	NA	PeJP	NA	NA
+PJ054536	SCDDDDW 	C33H42N8O17S	854.2389	NA	PeJP	NA	NA
+PJ054537	PCCCDEW 	C34H46N8O12S3	854.2398	NA	PeJP	NA	NA
+PJ054538	SSSDDDDD 	C29H42N8O22	854.2414	NA	PeJP	NA	NA
+PJ054539	NDDDDMM 	C30H46N8O17S2	854.2423	NA	PeJP	NA	NA
+PJ054540	SPPCCCDM 	C31H50N8O12S4	854.2431	NA	PeJP	NA	NA
+PJ054541	GCCCNNNQ 	C28H46N12O13S3	854.247	NA	PeJP	NA	NA
+PJ054542	CCCCMHR 	C29H50N12O8S5	854.2479	NA	PeJP	NA	NA
+PJ054543	CCCNEHF 	C33H46N10O11S3	854.251	NA	PeJP	NA	NA
+PJ054544	CCDDDER 	C29H46N10O16S2	854.2535	NA	PeJP	NA	NA
+PJ054545	GSSCCMMH 	C30H50N10O11S4	854.2544	NA	PeJP	NA	NA
+PJ054546	NDDDDDF 	C33H42N8O19	854.2567	NA	PeJP	NA	NA
+PJ054547	GCDDEMW 	C34H46N8O14S2	854.2575	NA	PeJP	NA	NA
+PJ054548	GSSDDDEM 	C30H46N8O19S	854.26	NA	PeJP	NA	NA
+PJ054549	GSPCDDMM 	C31H50N8O14S3	854.2609	NA	PeJP	NA	NA
+PJ054550	CNDDDHH 	C31H42N12O15S	854.2614	NA	PeJP	NA	NA
+PJ054551	APPCCCMM 	C32H54N8O9S5	854.2618	NA	PeJP	NA	NA
+PJ054552	SSCCNNNN 	C28H46N12O15S2	854.2647	NA	PeJP	NA	NA
+PJ054553	GGGGGGSSCCN 	C28H46N12O15S2	854.2648	NA	PeJP	NA	NA
+PJ054554	GPCCCCNR 	C29H50N12O10S4	854.2656	NA	PeJP	NA	NA
+PJ054555	GCCCHFW 	C37H46N10O8S3	854.2663	NA	PeJP	NA	NA
+PJ054556	SCCNNEW 	C33H46N10O13S2	854.2688	NA	PeJP	NA	NA
+MJ096225	2,15-Dihydroxy-16-kaurene-18,19-dioic acid, 2-O-[2,6-Bis(3-methylbutanoyl)-3,4-disulfo-?-D-glucopyranoside] 	C36H54O19S2	854.27007	NA	MeJP	NA	NA
+PJ054557	SSSCNNDE 	C29H46N10O18S	854.2713	NA	PeJP	NA	NA
+PJ054558	SSSTCCMH 	C30H50N10O13S3	854.2721	NA	PeJP	NA	NA
+PJ054559	GGGGGGCEMM 	C30H50N10O13S3	854.2722	NA	PeJP	NA	NA
+PJ054560	CDDMWW 	C38H46N8O11S2	854.2728	NA	PeJP	NA	NA
+PJ054561	CCCKMMH 	C31H54N10O8S5	854.273	NA	PeJP	NA	NA
+PJ054562	SSDDDMW 	C34H46N8O16S	854.2753	NA	PeJP	NA	NA
+PJ054563	SPCCEMW 	C35H50N8O11S3	854.2762	NA	PeJP	NA	NA
+PJ054564	SSSSDDEE 	C30H46N8O21	854.2778	NA	PeJP	NA	NA
+PJ054565	SNDEEMM 	C31H50N8O16S2	854.2787	NA	PeJP	NA	NA
+PJ054566	CDEYYY 	C39H46N6O14S	854.2793	NA	PeJP	NA	NA
+PJ054567	PCNEMMM 	C32H54N8O11S4	854.2795	NA	PeJP	NA	NA
+PJ054568	GSPCCDHH 	C32H46N12O12S2	854.28	NA	PeJP	NA	NA
+PJ054569	CCNNDMR 	C29H50N12O12S3	854.2834	NA	PeJP	NA	NA
+PJ054570	GSCCNWW 	C37H46N10O10S2	854.284	NA	PeJP	NA	NA
+HMDB01137	Hydroxymethylbilane	C40H46N4O17	854.285767	NA	HMDB2010	NA	NA
+MJ096226	Hydroxymethylbilane 	C40H46N4O17	854.285796	NA	MeJP	NA	NA
+MetaCyc04198	hydroxymethylbilane []	C40H46N4O17	854.285796	73023-76-4	metacyc	NA	NA
+C01024	Hydroxymethylbilane	C40H46N4O17	854.2858	NA	KEGG	NA	NA
+C01025	Lipid hydroperoxide	HO2R	854.2858	NA	KEGG	NA	NA
+HMDB01137	Hydroxymethylbilane	C40H46N4O17	854.28583	http://www.hmdb.ca/metabolites/HMDB01137	HMDB	NA	NA
+HMDB01137	Hydroxymethylbilane	C40H46N4O17	854.28583	HMDB01137	PFEM_hmdb_metabocards_official	NA	NA
+PJ054571	GSSSCNDW 	C33H46N10O15S	854.2865	NA	PeJP	NA	NA
+PJ054572	GCNNMMW 	C34H50N10O10S3	854.2874	NA	PeJP	NA	NA
+PJ054573	GSSSSSNDD 	C29H46N10O20	854.289	NA	PeJP	NA	NA
+PJ054574	SCDDEMR 	C30H50N10O15S2	854.2899	NA	PeJP	NA	NA
+PJ054575	GPCDDYW 	C38H46N8O13S	854.2905	NA	PeJP	NA	NA
+PJ054576	PCCDMMR 	C31H54N10O10S4	854.2908	NA	PeJP	NA	NA
+PJ054577	CCNNQHH 	C31H46N14O11S2	854.2912	NA	PeJP	NA	NA
+PJ054578	GGGGGACCHH 	C31H46N14O11S2	854.2913	NA	PeJP	NA	NA
+PJ054579	PPCCCFW 	C39H50N8O8S3	854.2914	NA	PeJP	NA	NA
+PJ054580	GNDEEEY 	C34H46N8O18	854.293	NA	PeJP	NA	NA
+PJ054581	GGGDEEEY 	C34H46N8O18	854.2931	NA	PeJP	NA	NA
+PJ054582	GSDEMMW 	C35H50N8O13S2	854.2939	NA	PeJP	NA	NA
+PJ054583	GPCMMMW 	C36H54N8O8S4	854.2948	NA	PeJP	NA	NA
+PJ054584	GSSSEEEM 	C31H50N8O18S	854.2964	NA	PeJP	NA	NA
+PJ054585	GQEEMMM 	C32H54N8O13S3	854.2973	NA	PeJP	NA	NA
+PJ054586	CNNNNNY 	C32H46N12O14S	854.2977	NA	PeJP	NA	NA
+PJ054587	GGGGCNNNY 	C32H46N12O14S	854.2978	NA	PeJP	NA	NA
+PJ054588	CEMFYY 	C40H50N6O11S2	854.2979	NA	PeJP	NA	NA
+PJ054589	GCCCQRW 	C33H50N12O9S3	854.2986	NA	PeJP	NA	NA
+PJ054590	GSSCCNER 	C29H50N12O14S2	854.3011	NA	PeJP	NA	NA
+PJ054591	GCNNDFW 	C37H46N10O12S	854.3018	NA	PeJP	NA	NA
+PJ054592	GDDDDRY 	C33H46N10O17	854.3043	NA	PeJP	NA	NA
+PJ054593	SSCNQMW 	C34H50N10O12S2	854.3051	NA	PeJP	NA	NA
+PJ054594	GGGGSTCMW 	C34H50N10O12S2	854.3052	NA	PeJP	NA	NA
+PJ054595	SSSSNNEM 	C30H50N10O17S	854.3076	NA	PeJP	NA	NA
+PJ054596	GGGGSSSSEM 	C30H50N10O17S	854.3077	NA	PeJP	NA	NA
+PJ054597	NDEEYW 	C38H46N8O15	854.3083	NA	PeJP	NA	NA
+PJ054598	GDDMMMR 	C31H54N10O12S3	854.3085	NA	PeJP	NA	NA
+PJ054599	GSSCNNHH 	C31H46N14O13S	854.309	NA	PeJP	NA	NA
+PJ054600	SDMMWW 	C39H50N8O10S2	854.3092	NA	PeJP	NA	NA
+PJ054601	PCCCHHR 	C32H50N14O8S3	854.3099	NA	PeJP	NA	NA
+PJ054602	SSSEEMW 	C35H50N8O15S	854.3117	NA	PeJP	NA	NA
+PJ054603	QEMMMW 	C36H54N8O10S3	854.3125	NA	PeJP	NA	NA
+PJ054604	GSCEHHW 	C36H46N12O11S	854.313	NA	PeJP	NA	NA
+PJ054605	SSSSTEEE 	C31H50N8O20	854.3142	NA	PeJP	NA	NA
+PJ054606	STQEEMM 	C32H54N8O15S2	854.315	NA	PeJP	NA	NA
+PJ054607	GSSSDEHH 	C32H46N12O16	854.3155	NA	PeJP	NA	NA
+PJ054608	SEMYYY 	C40H50N6O13S	854.3157	NA	PeJP	NA	NA
+PJ054609	SPQMMMM 	C33H58N8O10S4	854.3159	NA	PeJP	NA	NA
+PJ054610	SSCCNRW 	C33H50N12O11S2	854.3164	NA	PeJP	NA	NA
+PJ054611	SSSSCNDR 	C29H50N12O16S	854.3189	NA	PeJP	NA	NA
+PJ054612	GSNNDYW 	C37H46N10O14	854.3195	NA	PeJP	NA	NA
+PJ054613	SCNNMMR 	C30H54N12O11S3	854.3197	NA	PeJP	NA	NA
+PJ054614	GGSCNMMR 	C30H54N12O11S3	854.3198	NA	PeJP	NA	NA
+PJ054615	GCNMHFF 	C38H50N10O9S2	854.3204	NA	PeJP	NA	NA
+PJ054616	GSSSSNMW 	C34H50N10O14S	854.3229	NA	PeJP	NA	NA
+PJ054617	GDEYWW 	C42H46N8O12	854.3236	NA	PeJP	NA	NA
+PJ054618	CEMMRW 	C35H54N10O9S3	854.3238	NA	PeJP	NA	NA
+PJ054619	GSSSSSSQE 	C30H50N10O19	854.3254	NA	PeJP	NA	NA
+PJ054620	SSDEMMR 	C31H54N10O14S2	854.3263	NA	PeJP	NA	NA
+PJ054621	NNNNNEH 	C31H46N14O15	854.3267	NA	PeJP	NA	NA
+PJ054622	GGGGNNNEH 	C31H46N14O15	854.3268	NA	PeJP	NA	NA
+MJ096227	Mureidomycin E; 6'-Hydroxy, 8'-deoxy, 5'',6''-dihydro 	C39H50N8O12S	854.326889	NA	MeJP	NA	NA
+PJ054623	GSPDMYW 	C39H50N8O12S	854.3269	NA	PeJP	NA	NA
+PJ054624	SPCMMMR 	C32H58N10O9S4	854.3271	NA	PeJP	NA	NA
+PJ054625	APCCCCKK 	C32H58N10O9S4	854.3272	NA	PeJP	NA	NA
+PJ054626	GCDMHHR 	C32H50N14O10S2	854.3276	NA	PeJP	NA	NA
+PJ054627	AMMMWW 	C40H54N8O7S3	854.3278	NA	PeJP	NA	NA
+PJ054628	SCHHWW 	C40H46N12O8S	854.3283	NA	PeJP	NA	NA
+PJ054629	GTQEEEY 	C35H50N8O17	854.3294	NA	PeJP	NA	NA
+PJ054630	GTTEMMW 	C36H54N8O12S2	854.3303	NA	PeJP	NA	NA
+PJ054631	SSSDHHW 	C36H46N12O13	854.3308	NA	PeJP	NA	NA
+PJ054632	PCFYYY 	C44H50N6O10S	854.3309	NA	PeJP	NA	NA
+PJ054633	SCCCQRR 	C29H54N14O10S3	854.331	NA	PeJP	NA	NA
+MJ096228	Decatromicin A; 4''-Chloro 	C45H56Cl2N2O10	854.331201	NA	MeJP	NA	NA
+MJ096229	Decatromicin A; 5''-Chloro 	C45H56Cl2N2O10	854.331201	NA	MeJP	NA	NA
+PJ054634	NMMHHW 	C37H50N12O8S2	854.3316	NA	PeJP	NA	NA
+PJ054635	GSTTTEEM 	C32H54N8O17S	854.3328	NA	PeJP	NA	NA
+PJ054636	GKEEMMM 	C33H58N8O12S3	854.3337	NA	PeJP	NA	NA
+PJ054637	GCNNERY 	C33H50N12O13S	854.3341	NA	PeJP	NA	NA
+PJ054638	GGGGGCERY 	C33H50N12O13S	854.3342	NA	PeJP	NA	NA
+PJ054639	CLMYYY 	C41H54N6O10S2	854.3343	NA	PeJP	NA	NA
+PJ054640	PDDHWW 	C41H46N10O11	854.3348	NA	PeJP	NA	NA
+PJ054641	GCCCKRW 	C34H54N12O8S3	854.335	NA	PeJP	NA	NA
+PJ054642	GCQHHHH 	C34H46N16O9S	854.3355	NA	PeJP	NA	NA
+MJ096230	Dutomycin 	C44H54O17	854.3361	NA	MeJP	NA	NA
+PJ054643	GSSSCQMR 	C30H54N12O13S2	854.3375	NA	PeJP	NA	NA
+PJ054644	NNQMYW 	C38H50N10O11S	854.3381	NA	PeJP	NA	NA
+PJ054645	GGNQMYW 	C38H50N10O11S	854.3382	NA	PeJP	NA	NA
+PJ054646	DYWWW 	C46H46N8O9	854.3388	NA	PeJP	NA	NA
+C04876	N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-	C33H54N6O20	854.3393	NA	KEGG	NA	NA
+PJ054647	SSSSSSQW 	C34H50N10O16	854.3406	NA	PeJP	NA	NA
+PJ054648	GASSSSSSW 	C34H50N10O16	854.3407	NA	PeJP	NA	NA
+PJ054649	SSCNKMW 	C35H54N10O11S2	854.3415	NA	PeJP	NA	NA
+PJ054650	GGGGGAAMMF 	C35H54N10O11S2	854.3416	NA	PeJP	NA	NA
+PJ054651	GNNNNHW 	C35H46N14O12	854.342	NA	PeJP	NA	NA
+PJ054652	PTCYWW 	C43H50N8O9S	854.3422	NA	PeJP	NA	NA
+PJ054653	SSSSNDKM 	C31H54N10O16S	854.344	NA	PeJP	NA	NA
+PJ054654	TQEEYW 	C39H50N8O14	854.3447	NA	PeJP	NA	NA
+PJ054655	GTEMMMR 	C32H58N10O11S3	854.3449	NA	PeJP	NA	NA
+PJ054656	SSCEHHR 	C32H50N14O12S	854.3454	NA	PeJP	NA	NA
+PJ054657	TTMMWW 	C40H54N8O9S2	854.3455	NA	PeJP	NA	NA
+PJ054658	GAPMMYW 	C40H54N8O9S2	854.3456	NA	PeJP	NA	NA
+PJ054659	NDHHFW 	C40H46N12O10	854.346	NA	PeJP	NA	NA
+PJ054660	STTTEMW 	C36H54N8O14S	854.348	NA	PeJP	NA	NA
+PJ054661	GVQEEMY 	C36H54N8O14S	854.3481	NA	PeJP	NA	NA
+PJ054662	SPYYYY 	C44H50N6O12	854.3487	NA	PeJP	NA	NA
+PJ054663	KEMMMW 	C37H58N8O9S3	854.3489	NA	PeJP	NA	NA
+PJ054664	CNNRYW 	C37H50N12O10S	854.3494	NA	PeJP	NA	NA
+PJ054665	SSTTTTEE 	C32H54N8O19	854.3505	NA	PeJP	NA	NA
+PJ054666	STKEEMM 	C33H58N8O14S2	854.3514	NA	PeJP	NA	NA
+PJ054667	SSNNDRY 	C33H50N12O15	854.3519	NA	PeJP	NA	NA
+PJ054668	SPKMMMM 	C34H62N8O9S4	854.3523	NA	PeJP	NA	NA
+PJ054669	GCNQMFR 	C34H54N12O10S2	854.3528	NA	PeJP	NA	NA
+PJ054670	SSNHHHH 	C34H46N16O11	854.3532	NA	PeJP	NA	NA
+PJ054671	SSSSSNMR 	C30H54N12O15S	854.3553	NA	PeJP	NA	NA
+PJ054672	SDERYW 	C38H50N10O13	854.3559	NA	PeJP	NA	NA
+PJ054673	SCCQKMR 	C31H58N12O10S3	854.3561	NA	PeJP	NA	NA
+PJ054674	PCMRYW 	C39H54N10O8S2	854.3568	NA	PeJP	NA	NA
+PJ054675	MFWWW 	C47H50N8O6S	854.3574	NA	PeJP	NA	NA
+PJ054676	GSSSTCKW 	C35H54N10O13S	854.3593	NA	PeJP	NA	NA
+PJ054677	ATEYWW 	C43H50N8O11	854.3599	NA	PeJP	NA	NA
+PJ054678	TMMMRW 	C36H58N10O8S3	854.3602	NA	PeJP	NA	NA
+PJ054679	PPCQHHH 	C36H50N14O9S	854.3606	NA	PeJP	NA	NA
+PJ054680	GSSSSSSKE 	C31H54N10O18	854.3618	NA	PeJP	NA	NA
+PJ054681	STTEMMR 	C32H58N10O13S2	854.3626	NA	PeJP	NA	NA
+PJ054682	TTTDMMR 	C32H58N10O13S2	854.3627	NA	PeJP	NA	NA
+PJ054683	GNNEEHR 	C32H50N14O14	854.3631	NA	PeJP	NA	NA
+PJ054684	GGGGGGNDKH 	C32H50N14O14	854.3632	NA	PeJP	NA	NA
+PJ054685	VQEMYW 	C40H54N8O11S	854.3633	NA	PeJP	NA	NA
+PJ054686	GVMMMMR 	C33H62N10O8S4	854.3635	NA	PeJP	NA	NA
+PJ054687	GCCNFRR 	C33H54N14O9S2	854.364	NA	PeJP	NA	NA
+PJ054688	MHHHFF 	C41H50N12O7S	854.3647	NA	PeJP	NA	NA
+PJ054689	GTKEEEY 	C36H54N8O16	854.3658	NA	PeJP	NA	NA
+8302	Soystatin	VAWWMY	854.3664	NA  ;SYN:(2S)-2,5-diamino-5-oxopentanoic acid; (2S)-2-amino-4-carbamoylbutanoic acid; (S)-2,5-Diamino-5-oxopentanoic acid; 2-Aminoglutaramic acid; Cebrogen; Glavamin; Glumin; Glutamic acid 5-amide; Glutamic acid amide; Glutamine; L-(+)-glutamine; L-2-Aminoglutaramic acid; L-2-Aminoglutaramidic acid; L-Glutamic acid 5-amide; L-Glutaminsaeure-5-amid; L-glutamic acid gamma-amide; L-glutamid; L-glutamide; L-glutamin; L-glutamine; Levoglutamid; Levoglutamida; Levoglutamide; Levoglutamidum; Levoglutamina; Polyglutamine; Stimulina; gamma-glutamine; (2S)-2,5-diamino-5-oxopentanoate; (2S)-2-amino-4-carbamoylbutanoate; (S)-2,5-Diamino-5-oxopentanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+8303	Soystatin	VAWWMY	854.3664	NA  ;SYN:(2S)-2,5-diamino-5-oxopentanoic acid; (2S)-2-amino-4-carbamoylbutanoic acid; (S)-2,5-Diamino-5-oxopentanoic acid; 2-Aminoglutaramic acid; Cebrogen; Glavamin; Glumin; Glutamic acid 5-amide; Glutamic acid amide; Glutamine; L-(+)-glutamine; L-2-Aminoglutaramic acid; L-2-Aminoglutaramidic acid; L-Glutamic acid 5-amide; L-Glutaminsaeure-5-amid; L-glutamic acid gamma-amide; L-glutamid; L-glutamide; L-glutamin; L-glutamine; Levoglutamid; Levoglutamida; Levoglutamide; Levoglutamidum; Levoglutamina; Polyglutamine; Stimulina; gamma-glutamine; (2S)-2,5-diamino-5-oxopentanoate; (2S)-2-amino-4-carbamoylbutanoate; (S)-2,5-Diamino-5-oxopentanoateH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ054690	SSTLMMW 	C37H58N8O11S2	854.3667	NA	PeJP	NA	NA
+PJ054691	SSTTHHW 	C37H50N12O12	854.3671	NA	PeJP	NA	NA
+PJ054692	GAQQEHW 	C37H50N12O12	854.3672	NA	PeJP	NA	NA
+PJ054693	CLFFYY 	C45H54N6O9S	854.3673	NA	PeJP	NA	NA
+PJ054694	SCCCKRR 	C30H58N14O9S3	854.3674	NA	PeJP	NA	NA
+PJ054695	SSSTTLEM 	C33H58N8O16S	854.3692	NA	PeJP	NA	NA
+PJ054696	SVKEMMM 	C34H62N8O11S3	854.37	NA	PeJP	NA	NA
+PJ054697	VTDKMMM 	C34H62N8O11S3	854.3701	NA	PeJP	NA	NA
+PJ054698	DDMRRY 	C34H54N12O12S	854.3705	NA	PeJP	NA	NA
+PJ054699	PTEHWW 	C42H50N10O10	854.3712	NA	PeJP	NA	NA
+PJ054700	GCKHHHH 	C35H50N16O8S	854.3719	NA	PeJP	NA	NA
+MJ096231	Antibiotic BU 4794F 	C45H58O16	854.372485	NA	MeJP	NA	NA
+PJ054701	GSSSSSSTR 	C30H54N12O17	854.373	NA	PeJP	NA	NA
+PJ054702	GSSSCKMR 	C31H58N12O12S2	854.3739	NA	PeJP	NA	NA
+PJ054703	SNNNNHR 	C31H50N16O13	854.3744	NA	PeJP	NA	NA
+PJ054704	AEMRYW 	C39H54N10O10S	854.3745	NA	PeJP	NA	NA
+PJ054705	GGGGKMYW 	C39H54N10O10S	854.3746	NA	PeJP	NA	NA
+PJ054706	MMMMRR 	C32H62N12O7S4	854.3748	NA	PeJP	NA	NA
+PJ054707	GPFYWW 	C47H50N8O8	854.3752	NA	PeJP	NA	NA
+PJ054708	SSSSSSKW 	C35H54N10O15	854.377	NA	PeJP	NA	NA
+PJ054709	GGGGSTKEY 	C35H54N10O15	854.3771	NA	PeJP	NA	NA
+PJ054710	STCCKKW 	C36H58N10O10S2	854.3779	NA	PeJP	NA	NA
+PJ054711	NNEHRW 	C36H50N14O11	854.3784	NA	PeJP	NA	NA
+PJ054712	GLMYWW 	C44H54N8O8S	854.3786	NA	PeJP	NA	NA
+PJ054713	SSSSTQKM 	C32H58N10O15S	854.3804	NA	PeJP	NA	NA
+PJ054714	TKEEYW 	C40H54N8O13	854.3811	NA	PeJP	NA	NA
+PJ054715	SSLMMMR 	C33H62N10O10S3	854.3813	NA	PeJP	NA	NA
+PJ054716	SSTMHHR 	C33H54N14O11S	854.3817	NA	PeJP	NA	NA
+PJ054717	GSCNRRY 	C33H54N14O11S	854.3818	NA	PeJP	NA	NA
+PJ054718	PKMMYW 	C41H58N8O8S2	854.3819	NA	PeJP	NA	NA
+PJ054719	AQQHWW 	C41H50N12O9	854.3824	NA	PeJP	NA	NA
+PJ054720	GVKEEMY 	C37H58N8O13S	854.3844	NA	PeJP	NA	NA
+PJ054721	GPPPVEEM 	C37H58N8O13S	854.3845	NA	PeJP	NA	NA
+PJ054722	ALYYYY 	C45H54N6O11	854.3851	NA	PeJP	NA	NA
+PJ054723	APKMMMF 	C38H62N8O8S3	854.3853	NA	PeJP	NA	NA
+PJ054724	PEMHRW 	C38H54N12O9S	854.3858	NA	PeJP	NA	NA
+PJ054725	TTTTTTTE 	C33H58N8O18	854.3869	NA	PeJP	NA	NA
+PJ054726	SSSSLLMM 	C34H62N8O13S2	854.3878	NA	PeJP	NA	NA
+PJ054727	SSSQQRY 	C34H54N12O14	854.3883	NA	PeJP	NA	NA
+PJ054728	ALKMMMM 	C35H66N8O8S4	854.3887	NA	PeJP	NA	NA
+PJ054729	ACCQKFR 	C35H58N12O9S2	854.3891	NA	PeJP	NA	NA
+PJ054730	DMMFRR 	C35H58N12O9S2	854.3892	NA	PeJP	NA	NA
+PJ054731	GPDHHHR 	C35H50N16O10	854.3896	NA	PeJP	NA	NA
+PJ054732	PVMHWW 	C43H54N10O7S	854.3898	NA	PeJP	NA	NA
+PJ054733	SSSSTCKR 	C31H58N12O14S	854.3916	NA	PeJP	NA	NA
+PJ054734	TTERYW 	C39H54N10O12	854.3923	NA	PeJP	NA	NA
+PJ054735	SCCKKMR 	C32H62N12O9S3	854.3925	NA	PeJP	NA	NA
+PJ054736	CLMFRW 	C40H58N10O7S2	854.3932	NA	PeJP	NA	NA
+PJ054737	GNHRWW 	C40H50N14O8	854.3936	NA	PeJP	NA	NA
+MJ096232	3,14-Dihydroxybufa-4,20,22-trienolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C42H62O18	854.393615	NA	MeJP	NA	NA
+PJ054738	GGGHRWW 	C40H50N14O8	854.3937	NA	PeJP	NA	NA
+PJ054739	KEEMRY 	C36H58N10O12S	854.3957	NA	PeJP	NA	NA
+PJ054740	STLYWW 	C44H54N8O10	854.3963	NA	PeJP	NA	NA
+PJ054741	QMHHFR 	C37H54N14O8S	854.397	NA	PeJP	NA	NA
+PJ054742	GSSSSTTTK 	C32H58N10O17	854.3982	NA	PeJP	NA	NA
+PJ054743	GSSSKKMM 	C33H62N10O12S2	854.399	NA	PeJP	NA	NA
+PJ054744	EEEHRR 	C33H54N14O13	854.3995	NA	PeJP	NA	NA
+PJ054745	VKEMYW 	C41H58N8O10S	854.3997	NA	PeJP	NA	NA
+PJ054746	TFFFFF 	C49H54N6O8	854.4003	NA	PeJP	NA	NA
+PJ054747	SSLKEEY 	C37H58N8O15	854.4022	NA	PeJP	NA	NA
+PJ054748	SPVKMMY 	C38H62N8O10S2	854.4031	NA	PeJP	NA	NA
+PJ054749	VEEHRW 	C38H54N12O11	854.4035	NA	PeJP	NA	NA
+PJ054750	GGGPPERW 	C38H54N12O11	854.4036	NA	PeJP	NA	NA
+PJ054751	STTTTTLM 	C34H62N8O15S	854.4056	NA	PeJP	NA	NA
+PJ054752	TTLKMMM 	C35H66N8O10S3	854.4064	NA	PeJP	NA	NA
+PJ054753	TEMRRY 	C35H58N12O11S	854.4069	NA	PeJP	NA	NA
+PJ054754	APRYYW 	C43H54N10O9	854.4075	NA	PeJP	NA	NA
+PJ054755	VVEHWW 	C43H54N10O9	854.4076	NA	PeJP	NA	NA
+PJ054756	CHHFRR 	C36H54N16O7S	854.4083	NA	PeJP	NA	NA
+8128	peptide derived from sardine muscle	LQPGQGQQ	854.41	anticancer	Inhouse_peptide	NA	peptide
+PJ054757	ASNDHRR 	C32H54N16O12	854.4107	NA	PeJP	NA	NA
+PJ054758	GSNEHRR 	C32H54N16O12	854.4108	NA	PeJP	NA	NA
+PJ054759	SLMRYW 	C40H58N10O9S	854.4109	NA	PeJP	NA	NA
+PJ054760	GLFFWW 	C48H54N8O7	854.4116	NA	PeJP	NA	NA
+PJ054761	SSTLERY 	C36H58N10O14	854.4134	NA	PeJP	NA	NA
+PJ054762	GGAAPPKEE 	C36H58N10O14	854.4135	NA	PeJP	NA	NA
+PJ054763	AALMMRY 	C37H62N10O9S2	854.4143	NA	PeJP	NA	NA
+PJ054764	NDKHRW 	C37H54N14O10	854.4148	NA	PeJP	NA	NA
+PJ054765	PKMFFW 	C45H58N8O7S	854.415	NA	PeJP	NA	NA
+PJ054766	SSSSTKKM 	C33H62N10O14S	854.4168	NA	PeJP	NA	NA
+PJ054767	SSSLLYW 	C41H58N8O12	854.4174	NA	PeJP	NA	NA
+PJ054768	PPVVEEW 	C41H58N8O12	854.4175	NA	PeJP	NA	NA
+PJ054769	SCKKKMM 	C34H66N10O9S3	854.4177	NA	PeJP	NA	NA
+PJ054770	GVQQMHR 	C34H58N14O10S	854.4181	NA	PeJP	NA	NA
+PJ054771	GGGLQMHR 	C34H58N14O10S	854.4182	NA	PeJP	NA	NA
+PJ054772	LKMMFW 	C42H62N8O7S2	854.4183	NA	PeJP	NA	NA
+PJ054773	PPNRWW 	C42H54N12O8	854.4188	NA	PeJP	NA	NA
+PJ054774	ATLKEMY 	C38H62N8O12S	854.4208	NA	PeJP	NA	NA
+PJ054775	GPCKKHW 	C39H58N12O8S	854.4222	NA	PeJP	NA	NA
+PJ054776	SSSQKRY 	C35H58N12O13	854.4247	NA	PeJP	NA	NA
+PJ054777	VMMRRY 	C36H62N12O8S2	854.4255	NA	PeJP	NA	NA
+PJ054778	SNHRRW 	C36H54N16O9	854.426	NA	PeJP	NA	NA
+PJ054779	GSSKKYW 	C40H58N10O11	854.4287	NA	PeJP	NA	NA
+PJ054780	QQMHRR 	C33H58N16O9S	854.4294	NA	PeJP	NA	NA
+MJ096233	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C43H66O17	854.43	NA	MeJP	NA	NA
+MJ096234	Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C43H66O17	854.43	NA	MeJP	NA	NA
+MJ096235	Halichondramide; 5,6-Dihydro, 5-hydroxy 	C44H62N4O13	854.431338	NA	MeJP	NA	NA
+PJ054781	ATTLMRY 	C37H62N10O11S	854.432	NA	PeJP	NA	NA
+PJ054782	GTQKKMY 	C37H62N10O11S	854.4321	NA	PeJP	NA	NA
+PJ054783	PVKYYW 	C45H58N8O9	854.4327	NA	PeJP	NA	NA
+MJ096236	Ergostane-3,4,6,8,15,28-hexol, 28-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside], 6-sulfate 	C40H70O17S	854.433371	NA	MeJP	NA	NA
+MJ096237	Stigmastane-3,4,6,8,15,29-hexol, 29-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-sulfate 	C40H70O17S	854.433371	NA	MeJP	NA	NA
+PJ054784	KMHHFR 	C38H58N14O7S	854.4334	NA	PeJP	NA	NA
+PJ054785	SPPNERR 	C34H58N14O12	854.4359	NA	PeJP	NA	NA
+PJ054786	GPLKMFY 	C42H62N8O9S	854.4361	NA	PeJP	NA	NA
+MJ096238	Aurantimycin A; 2',3'-Didehydro 	C38H62N8O14	854.438548	NA	MeJP	NA	NA
+PJ054787	TTTLKEY 	C38H62N8O14	854.4386	NA	PeJP	NA	NA
+PJ054788	AVLKMMY 	C39H66N8O9S2	854.4394	NA	PeJP	NA	NA
+PJ054789	GLLKMMY 	C39H66N8O9S2	854.4395	NA	PeJP	NA	NA
+PJ054790	GPPDKRW 	C39H58N12O10	854.4399	NA	PeJP	NA	NA
+PJ054791	CQHRRR 	C32H58N18O8S	854.4406	NA	PeJP	NA	NA
+MJ096239	Salinamide E 	C43H62N6O12	854.442571	NA	MeJP	NA	NA
+PJ054792	GTCKKRY 	C36H62N12O10S	854.4433	NA	PeJP	NA	NA
+PJ054793	TLLHWW 	C44H58N10O8	854.4439	NA	PeJP	NA	NA
+PJ054794	GPVLHFW 	C44H58N10O8	854.444	NA	PeJP	NA	NA
+PJ054795	GSDKHRR 	C33H58N16O11	854.4471	NA	PeJP	NA	NA
+PJ054796	GGGGAPQRR 	C33H58N16O11	854.4472	NA	PeJP	NA	NA
+PJ054797	CKKKYW 	C41H62N10O8S	854.4473	NA	PeJP	NA	NA
+PJ054798	TTTTLRY 	C37H62N10O13	854.4498	NA	PeJP	NA	NA
+PJ054799	ACKKKMF 	C38H66N10O8S2	854.4507	NA	PeJP	NA	NA
+MJ096240	1-Dodecanol; O-[?-L-Rhamnopyranosyl-(1?3)-2-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C40H70O19	854.45113	NA	MeJP	NA	NA
+PJ054800	GSPPRRW 	C38H58N14O9	854.4512	NA	PeJP	NA	NA
+PJ054801	PPTLLEW 	C42H62N8O11	854.4538	NA	PeJP	NA	NA
+PJ054802	APPPVVEF 	C42H62N8O11	854.4539	NA	PeJP	NA	NA
+PJ054803	APPQMRR 	C35H62N14O9S	854.4545	NA	PeJP	NA	NA
+PJ054804	AKKHWW 	C43H58N12O7	854.4552	NA	PeJP	NA	NA
+PJ054805	STLLKMY 	C39H66N8O11S	854.4572	NA	PeJP	NA	NA
+PJ054806	GSSHRRR 	C32H58N18O10	854.4584	NA	PeJP	NA	NA
+PJ054807	LLMHRW 	C40H62N12O7S	854.4586	NA	PeJP	NA	NA
+PJ054808	SSSKKRY 	C36H62N12O12	854.461	NA	PeJP	NA	NA
+PJ054809	TTLLDHR 	C36H62N12O12	854.4611	NA	PeJP	NA	NA
+PJ054810	GVLHHHR 	C37H58N16O8	854.4624	NA	PeJP	NA	NA
+PJ054811	SSLLLHW 	C41H62N10O10	854.4651	NA	PeJP	NA	NA
+PJ054812	APPCRRR 	C34H62N16O8S	854.4658	NA	PeJP	NA	NA
+MJ096241	2,3,19-Trihydroxy-12-oleanen-28-oic acid, 3-Ac, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096242	3,22,24,29-Tetrahydroxy-28-hopanoic acid, 28?22 Lactone, 3-O-[6-O-acetyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096243	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096244	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096245	Hovenidulcigenin A; 24,25?-Dihydro, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096246	Spirost-25(27)-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096247	Spirost-5-en-3-ol, 3-O-[?-D-Apiofuranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096248	Spirost-5-en-3-ol, 3-O-[?-L-Arabinofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096249	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096250	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096251	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096252	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096253	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096254	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096255	Spirost-5-ene-1,3-diol, 1-O-[?-D-Fucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?4)]-?-D-fucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+MJ096256	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] 	C44H70O16	854.466386	NA	MeJP	NA	NA
+C17042	Ophiopogonin D	C44H70O16	854.4664	NA	KEGG	NA	NA
+PJ054813	GTKKKMY 	C38H66N10O10S	854.4684	NA	PeJP	NA	NA
+PJ054814	PPLLEMR 	C38H66N10O10S	854.4685	NA	PeJP	NA	NA
+PJ054815	VLKFYW 	C46H62N8O8	854.4691	NA	PeJP	NA	NA
+PJ054816	GPLQERR 	C35H62N14O11	854.4723	NA	PeJP	NA	NA
+PJ054817	PPVLLMW 	C43H66N8O8S	854.4725	NA	PeJP	NA	NA
+PJ054818	LHHHRR 	C36H58N18O7	854.4736	NA	PeJP	NA	NA
+MJ096257	Antibiotic IC 101 	C39H66N8O13	854.474934	NA	MeJP	NA	NA
+PJ054819	AAPLLLEE 	C39H66N8O13	854.475	NA	PeJP	NA	NA
+PJ054820	APPTKRW 	C40H62N12O9	854.4763	NA	PeJP	NA	NA
+PJ054821	CKHRRR 	C33H62N18O7S	854.477	NA	PeJP	NA	NA
+PJ054822	SVLLMHR 	C37H66N12O9S	854.4797	NA	PeJP	NA	NA
+PJ054823	AAPERRR 	C34H62N16O10	854.4835	NA	PeJP	NA	NA
+PJ054824	STTKKKY 	C38H66N10O12	854.4862	NA	PeJP	NA	NA
+PJ054825	PLQRRW 	C39H62N14O8	854.4875	NA	PeJP	NA	NA
+PJ054826	GAPLRRW 	C39H62N14O8	854.4876	NA	PeJP	NA	NA
+PJ054827	PVVLLEW 	C43H66N8O10	854.4902	NA	PeJP	NA	NA
+PJ054828	APPKMRR 	C36H66N14O8S	854.4909	NA	PeJP	NA	NA
+PJ054829	APPTLLLM 	C40H70N8O10S	854.4936	NA	PeJP	NA	NA
+PJ054830	PDRRRR 	C33H62N18O9	854.4948	NA	PeJP	NA	NA
+PJ054831	PPTKKER 	C37H66N12O11	854.4974	NA	PeJP	NA	NA
+PJ054832	GGPVLKER 	C37H66N12O11	854.4975	NA	PeJP	NA	NA
+PJ054833	SPPLKKW 	C42H66N10O9	854.5015	NA	PeJP	NA	NA
+PJ054834	KKMHRR 	C35H66N16O7S	854.5022	NA	PeJP	NA	NA
+MJ096258	12-Oleanene-3,21,28-triol, 28-O-[?-D-Arabinopyranosyl-(1?3)-?-D-arabinopyranosyl-(1?3)-?-D-arabinopyranoside] 	C45H74O15	854.502771	NA	MeJP	NA	NA
+PJ054835	TLLLKMH 	C39H70N10O9S	854.5048	NA	PeJP	NA	NA
+PJ054836	GPLKERR 	C36H66N14O10	854.5087	NA	PeJP	NA	NA
+PJ054837	GPTLLLLE 	C40H70N8O12	854.5114	NA	PeJP	NA	NA
+MJ096259	Isoxuxuarine A? 	C56H70O7	854.512154	NA	MeJP	NA	NA
+MJ096260	Umbellatin ? 	C56H70O7	854.512154	NA	MeJP	NA	NA
+MJ096261	Xuxuarine B?; 22,22'-Dideoxy 	C56H70O7	854.512154	NA	MeJP	NA	NA
+PJ054838	GPVLKRW 	C41H66N12O8	854.5127	NA	PeJP	NA	NA
+MJ096262	Foromacidin A; 17-Methylene 	C44H74N2O14	854.514005	NA	MeJP	NA	NA
+PJ054839	PPVKKMR 	C38H70N12O8S	854.5161	NA	PeJP	NA	NA
+PJ054840	GPTLRRR 	C35H66N16O9	854.5199	NA	PeJP	NA	NA
+PJ054841	PLLQKKE 	C39H70N10O11	854.5226	NA	PeJP	NA	NA
+PJ054842	PLKRRW 	C40H66N14O7	854.5239	NA	PeJP	NA	NA
+PJ054843	PTLLLLW 	C44H70N8O9	854.5266	NA	PeJP	NA	NA
+PJ054844	GPVLLLLM 	C41H74N8O9S	854.53	NA	PeJP	NA	NA
+PJ054845	PVVKKER 	C38H70N12O10	854.5338	NA	PeJP	NA	NA
+PJ054846	APLLKKW 	C43H70N10O8	854.5378	NA	PeJP	NA	NA
+PJ054847	PVVVKKW 	C43H70N10O8	854.5379	NA	PeJP	NA	NA
+MJ096263	Stigmast-4-en-3-ol, O-[?-D-Apiofuranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C46H78O14	854.539157	NA	MeJP	NA	NA
+MJ096264	Stigmast-4-en-3-ol, O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?6)]-?-D-glucopyranoside] 	C46H78O14	854.539157	NA	MeJP	NA	NA
+MJ096265	Lydicamycin 	C47H74N4O10	854.540494	NA	MeJP	NA	NA
+PJ054848	PLLLLMR 	C40H74N10O8S	854.5412	NA	PeJP	NA	NA
+PJ054849	SPVLKRR 	C37H70N14O9	854.5451	NA	PeJP	NA	NA
+PJ054850	AAILLLLE 	C41H74N8O11	854.5477	NA	PeJP	NA	NA
+PJ054851	AALLLLLE 	C41H74N8O11	854.5478	NA	PeJP	NA	NA
+PJ054852	AALLRRR 	C36H70N16O8	854.5563	NA	PeJP	NA	NA
+PJ054853	VLLLLER 	C40H74N10O10	854.559	NA	PeJP	NA	NA
+PJ054854	VVLLLLW 	C45H74N8O8	854.563	NA	PeJP	NA	NA
+PJ054855	VLRRRR 	C35H70N18O7	854.5675	NA	PeJP	NA	NA
+PJ054856	PTLLKKR 	C39H74N12O9	854.5702	NA	PeJP	NA	NA
+PJ054857	GLLLKRR 	C38H74N14O8	854.5814	NA	PeJP	NA	NA
+PJ054858	GTLLLLLL 	C42H78N8O10	854.5841	NA	PeJP	NA	NA
+PJ054859	LLLLQKK 	C41H78N10O9	854.5954	NA	PeJP	NA	NA
+PJ054860	VVLLKKR 	C40H78N12O8	854.6066	NA	PeJP	NA	NA
+PJ054861	LLLLKKK 	C42H82N10O8	854.6317	NA	PeJP	NA	NA
+HMDB05363	TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C55H98O6	854.736328	NA	HMDB2010	NA	NA
+HMDB05390	TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C55H98O6	854.736328	NA	HMDB2010	NA	NA
+HMDB05440	TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]	C55H98O6	854.736328	NA	HMDB2010	NA	NA
+HMDB10440	TG(18:1(11Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	C55H98O6	854.736328	NA	HMDB2010	NA	NA
+HMDB10444	TG(18:1(11Z)/16:1(9Z)/18:2(9Z,12Z))[iso6]	C55H98O6	854.736328	NA	HMDB2010	NA	NA
+HMDB10451	TG(18:1(9Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	C55H98O6	854.736328	NA	HMDB2010	NA	NA
+HMDB05363	TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C55H98O6	854.73633	http://www.hmdb.ca/metabolites/HMDB05363	HMDB	NA	NA
+HMDB05390	TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C55H98O6	854.73633	http://www.hmdb.ca/metabolites/HMDB05390	HMDB	NA	NA
+HMDB05440	TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]	C55H98O6	854.73633	http://www.hmdb.ca/metabolites/HMDB05440	HMDB	NA	NA
+HMDB05363	TG(16:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C55H98O6	854.73633	HMDB05363	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05390	TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C55H98O6	854.73633	HMDB05390	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05440	TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]	C55H98O6	854.73633	HMDB05440	PFEM_hmdb_metabocards_official	NA	NA
+MJ096266	(S)-3-Hydroxyisobutyryl-CoA 	C25H44N7O18P3S	855.167637	NA	MeJP	NA	NA
+PJ054862	CCCCMMY 	C31H49N7O9S6	855.1916	NA	PeJP	NA	NA
+PJ054863	GCCCCCQH 	C28H45N11O10S5	855.1955	NA	PeJP	NA	NA
+PJ054864	GCCNDDDD 	C28H41N9O18S2	855.2011	NA	PeJP	NA	NA
+PJ054865	GGGCCDDDD 	C28H41N9O18S2	855.2012	NA	PeJP	NA	NA
+MJ096267	3-Hydroxyisopentyl-CoA 	C26H48N7O17P3S	855.204023	NA	MeJP	NA	NA
+PJ054866	CCCCDFY 	C34H45N7O11S4	855.206	NA	PeJP	NA	NA
+PJ054867	SSCCCCNH 	C28H45N11O12S4	855.2132	NA	PeJP	NA	NA
+PJ054868	SPCCCNDD 	C29H45N9O15S3	855.2198	NA	PeJP	NA	NA
+PJ054869	CCCEMMH 	C30H49N9O10S5	855.2206	NA	PeJP	NA	NA
+PJ054870	SCCCDYY 	C34H45N7O13S3	855.2238	NA	PeJP	NA	NA
+PJ054871	CCCCMFF 	C35H49N7O8S5	855.2247	NA	PeJP	NA	NA
+PJ054872	DDDDDMM 	C30H45N7O18S2	855.2263	NA	PeJP	NA	NA
+PJ054873	GCCCNNNE 	C28H45N11O14S3	855.231	NA	PeJP	NA	NA
+PJ054874	GCCCCCKH 	C29H49N11O9S5	855.2319	NA	PeJP	NA	NA
+PJ054875	CCCDEHF 	C33H45N9O12S3	855.235	NA	PeJP	NA	NA
+PJ054876	GSCNDDDM 	C29H45N9O17S2	855.2375	NA	PeJP	NA	NA
+PJ054877	GPCCCNEM 	C30H49N9O12S4	855.2384	NA	PeJP	NA	NA
+PJ054878	DDDDDDF 	C33H41N7O20	855.2407	NA	PeJP	NA	NA
+PJ054879	ACCCMYY 	C35H49N7O10S4	855.2424	NA	PeJP	NA	NA
+PJ054880	CDDDDHH 	C31H41N11O16S	855.2454	NA	PeJP	NA	NA
+PJ054881	CCCNNNW 	C32H45N11O11S3	855.2462	NA	PeJP	NA	NA
+PJ054882	GGCCCNNW 	C32H45N11O11S3	855.2463	NA	PeJP	NA	NA
+PJ054883	SSCCNNND 	C28H45N11O16S2	855.2487	NA	PeJP	NA	NA
+PJ054884	GGSSCCNND 	C28H45N11O16S2	855.2488	NA	PeJP	NA	NA
+MJ096268	Phalamycin 	C36H41N9O14S	855.249367	NA	MeJP	NA	NA
+PJ054885	GPCCCCDR 	C29H49N11O11S4	855.2496	NA	PeJP	NA	NA
+PJ054886	SCCNDEW 	C33H45N9O14S2	855.2528	NA	PeJP	NA	NA
+PJ054887	PCCCNMW 	C34H49N9O9S4	855.2536	NA	PeJP	NA	NA
+PJ054888	GGPCCCMW 	C34H49N9O9S4	855.2537	NA	PeJP	NA	NA
+PJ054889	SSSCNDDE 	C29H45N9O19S	855.2553	NA	PeJP	NA	NA
+PJ054890	CNNDEMM 	C30H49N9O14S3	855.2561	NA	PeJP	NA	NA
+PJ054891	GGCNDEMM 	C30H49N9O14S3	855.2562	NA	PeJP	NA	NA
+PJ054892	TCCMMMH 	C31H53N9O9S5	855.257	NA	PeJP	NA	NA
+PJ054893	PCDDDEY 	C34H45N7O17S	855.2593	NA	PeJP	NA	NA
+PJ054894	SSCCMYY 	C35H49N7O12S3	855.2602	NA	PeJP	NA	NA
+PJ054895	SDDEEMM 	C31H49N7O17S2	855.2627	NA	PeJP	NA	NA
+PJ054896	PCDEMMM 	C32H53N7O12S4	855.2635	NA	PeJP	NA	NA
+PJ054897	CCNDDMR 	C29H49N11O13S3	855.2674	NA	PeJP	NA	NA
+PJ054898	GSCCDWW 	C37H45N9O11S2	855.268	NA	PeJP	NA	NA
+PJ054899	GSSSCDDW 	C33H45N9O16S	855.2705	NA	PeJP	NA	NA
+PJ054900	GGGACDDDF 	C33H45N9O16S	855.2706	NA	PeJP	NA	NA
+PJ054901	GCNDMMW 	C34H49N9O11S3	855.2714	NA	PeJP	NA	NA
+PJ054902	GSSSSSDDD 	C29H45N9O21	855.273	NA	PeJP	NA	NA
+PJ054903	GSSNDDMM 	C30H49N9O16S2	855.2739	NA	PeJP	NA	NA
+PJ054904	GSPCCQMM 	C31H53N9O11S4	855.2748	NA	PeJP	NA	NA
+PJ054905	CCNNEHH 	C31H45N13O12S2	855.2752	NA	PeJP	NA	NA
+PJ054906	GGCCNEHH 	C31H45N13O12S2	855.2753	NA	PeJP	NA	NA
+PJ054907	ACCCFFY 	C39H49N7O9S3	855.2754	NA	PeJP	NA	NA
+PJ054908	GDDEEEY 	C34H45N7O19	855.2771	NA	PeJP	NA	NA
+PJ054909	PCDDEMF 	C35H49N7O14S2	855.2779	NA	PeJP	NA	NA
+PJ054910	GSCCCNNR 	C28H49N13O12S3	855.2786	NA	PeJP	NA	NA
+PJ054911	GEEEMMM 	C32H53N7O14S3	855.2813	NA	PeJP	NA	NA
+PJ054912	CNNNNDY 	C32H45N11O15S	855.2818	NA	PeJP	NA	NA
+PJ054913	GCCCERW 	C33H49N11O10S3	855.2826	NA	PeJP	NA	NA
+PJ054914	GSSCCDER 	C29H49N11O15S2	855.2851	NA	PeJP	NA	NA
+PJ054915	GGGGGGSSSCM 	C29H49N11O15S2	855.2852	NA	PeJP	NA	NA
+PJ054916	GCNDDFW 	C37H45N9O13S	855.2858	NA	PeJP	NA	NA
+PJ054917	GSPCCCMR 	C30H53N11O10S4	855.286	NA	PeJP	NA	NA
+PJ054918	CCQMWW 	C38H49N9O8S3	855.2867	NA	PeJP	NA	NA
+PJ054919	SNNDDEY 	C33H45N9O18	855.2883	NA	PeJP	NA	NA
+PJ054920	STCCQEW 	C34H49N9O13S2	855.2891	NA	PeJP	NA	NA
+PJ054921	SSCNEMW 	C34H49N9O13S2	855.2892	NA	PeJP	NA	NA
+PJ054922	GCMMMHF 	C35H53N9O8S4	855.29	NA	PeJP	NA	NA
+PJ054923	GCCNHHW 	C35H45N13O9S2	855.2905	NA	PeJP	NA	NA
+PJ054924	SSSSNDEM 	C30H49N9O18S	855.2916	NA	PeJP	NA	NA
+PJ054925	GGSSSSDEM 	C30H49N9O18S	855.2917	NA	PeJP	NA	NA
+PJ054926	DDEEYW 	C38H45N7O16	855.2923	NA	PeJP	NA	NA
+PJ054927	SNNEMMM 	C31H53N9O13S3	855.2925	NA	PeJP	NA	NA
+PJ054928	GSSCNDHH 	C31H45N13O14S	855.293	NA	PeJP	NA	NA
+PJ054929	CNMYYY 	C39H49N7O11S2	855.2932	NA	PeJP	NA	NA
+PJ054930	SPDDEMY 	C35H49N7O16S	855.2957	NA	PeJP	NA	NA
+PJ054931	EEMMMW 	C36H53N7O11S3	855.2966	NA	PeJP	NA	NA
+PJ054932	CCCRWW 	C37H49N11O7S3	855.2979	NA	PeJP	NA	NA
+PJ054933	STEEEMM 	C32H53N7O16S2	855.299	NA	PeJP	NA	NA
+PJ054934	TTDEEMM 	C32H53N7O16S2	855.2991	NA	PeJP	NA	NA
+PJ054935	GSPNDDDH 	C32H45N11O17	855.2995	NA	PeJP	NA	NA
+PJ054936	SPEMMMM 	C33H57N7O11S4	855.2999	NA	PeJP	NA	NA
+PJ054937	SSCCDRW 	C33H49N11O12S2	855.3004	NA	PeJP	NA	NA
+PJ054938	SSSSCDDR 	C29H49N11O17S	855.3029	NA	PeJP	NA	NA
+PJ054939	GSNDDYW 	C37H45N9O15	855.3035	NA	PeJP	NA	NA
+PJ054940	GGGSDDYW 	C37H45N9O15	855.3036	NA	PeJP	NA	NA
+PJ054941	SCNDMMR 	C30H53N11O12S3	855.3038	NA	PeJP	NA	NA
+PJ054942	GSSCMWW 	C38H49N9O10S2	855.3044	NA	PeJP	NA	NA
+PJ054943	GSSSSDMW 	C34H49N9O15S	855.3069	NA	PeJP	NA	NA
+PJ054944	GSNMMMW 	C35H53N9O10S3	855.3078	NA	PeJP	NA	NA
+PJ054945	GSSSSSSEE 	C30H49N9O20	855.3094	NA	PeJP	NA	NA
+MJ096269	Astrotrichilin 1 	C46H49NO15	855.310219	NA	MeJP	NA	NA
+PJ054946	GSSSQEMM 	C31H53N9O15S2	855.3103	NA	PeJP	NA	NA
+PJ054947	NNNNDEH 	C31H45N13O16	855.3108	NA	PeJP	NA	NA
+PJ054948	DEEMFW 	C39H49N7O13S	855.3109	NA	PeJP	NA	NA
+PJ054949	ANQMMMM 	C32H57N9O10S4	855.3111	NA	PeJP	NA	NA
+PJ054950	GQQMMMM 	C32H57N9O10S4	855.3112	NA	PeJP	NA	NA
+PJ054951	SCNQMHH 	C32H49N13O11S2	855.3116	NA	PeJP	NA	NA
+PJ054952	GTEEEEY 	C35H49N7O18	855.3134	NA	PeJP	NA	NA
+PJ054953	GPEEMMY 	C36H53N7O13S2	855.3143	NA	PeJP	NA	NA
+PJ054954	GDDEHHF 	C36H45N11O14	855.3148	NA	PeJP	NA	NA
+PJ054955	SCCCERR 	C29H53N13O11S3	855.315	NA	PeJP	NA	NA
+PJ054956	PPCMMMF 	C37H57N7O8S4	855.3152	NA	PeJP	NA	NA
+PJ054957	PPCCNHW 	C37H49N11O9S2	855.3156	NA	PeJP	NA	NA
+PJ054958	DMMHHW 	C37H49N11O9S2	855.3157	NA	PeJP	NA	NA
+PJ054959	SVEEMMM 	C33H57N7O13S3	855.3177	NA	PeJP	NA	NA
+PJ054960	ACNDDRY 	C33H49N11O14S	855.3181	NA	PeJP	NA	NA
+PJ054961	GCNDERY 	C33H49N11O14S	855.3182	NA	PeJP	NA	NA
+PJ054962	PCLMMMM 	C34H61N7O8S5	855.3186	NA	PeJP	NA	NA
+PJ054963	GTCCMRW 	C34H53N11O9S3	855.319	NA	PeJP	NA	NA
+PJ054964	GCEHHHH 	C34H45N15O10S	855.3195	NA	PeJP	NA	NA
+PJ054965	SSSSSSSNN 	C29H49N11O19	855.3206	NA	PeJP	NA	NA
+PJ054966	GGGGSSSSSSS 	C29H49N11O19	855.3207	NA	PeJP	NA	NA
+PJ054967	GSSSCEMR 	C30H53N11O14S2	855.3215	NA	PeJP	NA	NA
+PJ054968	SSSTCWW 	C38H49N9O12S	855.3222	NA	PeJP	NA	NA
+PJ054969	GCQMMMR 	C31H57N11O9S4	855.3224	NA	PeJP	NA	NA
+PJ054970	SCCNHHR 	C31H49N15O10S2	855.3229	NA	PeJP	NA	NA
+PJ054971	CCKMWW 	C39H53N9O7S3	855.323	NA	PeJP	NA	NA
+PJ054972	SSSSSSEW 	C34H49N9O17	855.3247	NA	PeJP	NA	NA
+PJ054973	SSSQMMW 	C35H53N9O12S2	855.3255	NA	PeJP	NA	NA
+PJ054974	GGGGSPMMY 	C35H53N9O12S2	855.3256	NA	PeJP	NA	NA
+PJ054975	GNNNDHW 	C35H45N13O13	855.326	NA	PeJP	NA	NA
+PJ054976	CNFFYY 	C43H49N7O10S	855.3262	NA	PeJP	NA	NA
+PJ054977	SSSSTQEM 	C31H53N9O17S	855.328	NA	PeJP	NA	NA
+PJ054978	TEEEYW 	C39H49N7O15	855.3287	NA	PeJP	NA	NA
+PJ054979	SNDKMMM 	C32H57N9O12S3	855.3289	NA	PeJP	NA	NA
+PJ054980	PCNDDHR 	C32H49N13O13S	855.3294	NA	PeJP	NA	NA
+PJ054981	PEMMYW 	C40H53N7O10S2	855.3296	NA	PeJP	NA	NA
+PJ054982	DDHHFW 	C40H45N11O11	855.33	NA	PeJP	NA	NA
+MJ096270	Sulfurmycin A; 10-Hydroxy 	C43H53NO17	855.331349	NA	MeJP	NA	NA
+PJ054983	GVEEEMY 	C36H53N7O15S	855.3321	NA	PeJP	NA	NA
+PJ054984	SPPMMMY 	C37H57N7O10S3	855.3329	NA	PeJP	NA	NA
+PJ054985	CNDRYW 	C37H49N11O11S	855.3334	NA	PeJP	NA	NA
+PJ054986	GCCMMRR 	C30H57N13O8S4	855.3336	NA	PeJP	NA	NA
+PJ054987	CHHHHW 	C38H45N15O7S	855.3348	NA	PeJP	NA	NA
+PJ054988	SSNDDRY 	C33H49N11O16	855.3359	NA	PeJP	NA	NA
+PJ054989	ALEMMMM 	C34H61N7O10S4	855.3363	NA	PeJP	NA	NA
+PJ054990	SSSCMRW 	C34H53N11O11S2	855.3368	NA	PeJP	NA	NA
+PJ054991	SSDHHHH 	C34H45N15O12	855.3373	NA	PeJP	NA	NA
+PJ054992	GNMYWW 	C42H49N9O9S	855.3374	NA	PeJP	NA	NA
+8275	Antioxidative peptide	PMDYMVT	855.3377	NA  ;SYN:(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid; (2S,5R)-5-hydroxylysine; 5-hydroxy-L-lysine; Alpha,epsilon-diamino-delta-hydroxycaproic acid; Delta-DL-hydroxylysine; erythro-5-hydroxy-L-lysine; Hydroxylysine; hydroxy-Lysine; L-normal-5-hydroxylysine; procollagen 5-hydroxy-L-lysine; Procollagen L-erythro-5-hydroxy-L-lysine; (5R)-5-hydroxy-L-lysine; L-d-Hydroxylysine; 5-hydroxy-Lysine; d-Hydroxy-L-lysine; d-Hydroxylysine; L-delta-Hydroxylysine; delta-Hydroxy-L-lysine; delta-Hydroxylysine; (2S,5R)-2,6-diamino-5-hydroxyhexanoate; Alpha,epsilon-diamino-delta-hydroxycaproateH2Blood; Urine	Inhouse_peptide	NA	peptide
+8276	Anticancer peptide	PMDYMVT	855.3377	NA  ;SYN:(-)-2-Aminobutyric acid; (2S)-2-aminobutanoic acid; (S)-2-Aminobutanoate; (S)-2-Aminobutanoic acid; (S)-2-Aminobutyric acid; 2S-amino-butanoic acid; 2-Aminobutanoic acid; Alpha-aminobutyric acid; L-(+)-2-aminobutyric acid; L-2-Aminobuttersaeure; L-2-Aminobutyric acid; L-alpha-amino-n-butyric acid; L-alpha-aminobutyrate; L-butyrine; S-Butyrine; (S)-2-amino-Butanoic acid; (+)-2-Aminobutanoic acid; (+)-2-Aminobutyric acid; (+)-alpha-Aminobutyric acid; (S)-(+)-alpha-Aminobutyric acid; L-2-Amino-n-butyric acid; L-a-aminobutyric acid; L-Ethylglycine; (2S)-2-aminobutanoate; 2S-amino-butanoate; 2-Aminobutanoate; (S)-2-amino-Butanoate; (+)-2-Aminobutanoate; L-alpha-aminobutyric acid; 2-aminobutyrateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ054993	SSSSSDMR 	C30H53N11O16S	855.3393	NA	PeJP	NA	NA
+PJ054994	GSSQEYW 	C38H49N9O14	855.3399	NA	PeJP	NA	NA
+PJ054995	GGGGGEEFF 	C38H49N9O14	855.34	NA	PeJP	NA	NA
+PJ054996	SSNMMMR 	C31H57N11O11S3	855.3401	NA	PeJP	NA	NA
+PJ054997	GGSSMMMR 	C31H57N11O11S3	855.3402	NA	PeJP	NA	NA
+PJ054998	GPCCKYW 	C39H53N9O9S2	855.3408	NA	PeJP	NA	NA
+PJ054999	GSSSTTMW 	C35H53N9O14S	855.3433	NA	PeJP	NA	NA
+PJ055000	GQYYYY 	C43H49N7O12	855.3439	NA	PeJP	NA	NA
+PJ055001	PDEFYW 	C43H49N7O12	855.344	NA	PeJP	NA	NA
+PJ055002	GTCKMMW 	C36H57N9O9S3	855.3442	NA	PeJP	NA	NA
+PJ055003	GNNMHHF 	C36H49N13O10S	855.3446	NA	PeJP	NA	NA
+PJ055004	GGGNMHHF 	C36H49N13O10S	855.3447	NA	PeJP	NA	NA
+PJ055005	GSSSSTTTE 	C31H53N9O19	855.3458	NA	PeJP	NA	NA
+MJ096271	Taxol?; 9?-Alcohol 	C47H53NO14	855.346605	NA	MeJP	NA	NA
+PJ055006	GSSSKEMM 	C32H57N9O14S2	855.3467	NA	PeJP	NA	NA
+PJ055007	ANDDEHR 	C32H49N13O15	855.3471	NA	PeJP	NA	NA
+PJ055008	GNDEEHR 	C32H49N13O15	855.3472	NA	PeJP	NA	NA
+PJ055009	VEEMYW 	C40H53N7O12S	855.3473	NA	PeJP	NA	NA
+PJ055010	GQKMMMM 	C33H61N9O9S4	855.3475	NA	PeJP	NA	NA
+PJ055011	GGAKMMMM 	C33H61N9O9S4	855.3476	NA	PeJP	NA	NA
+PJ055012	GCCDFRR 	C33H53N13O10S2	855.348	NA	PeJP	NA	NA
+PJ055013	PCQHWW 	C41H49N11O8S	855.3487	NA	PeJP	NA	NA
+PJ055014	SSLEEEY 	C36H53N7O17	855.3498	NA	PeJP	NA	NA
+PJ055015	SPVEMMY 	C37H57N7O12S2	855.3507	NA	PeJP	NA	NA
+PJ055016	QQEEHW 	C37H49N11O13	855.3512	NA	PeJP	NA	NA
+PJ055017	STCCMRR 	C30H57N13O10S3	855.3514	NA	PeJP	NA	NA
+8121	peptide derived from blue fermented mussel sauce (Mytilus edulis)	HFGDPFH	855.3519	anticancer	Inhouse_peptide	NA	peptide
+PJ055018	CNMFRW 	C38H53N11O8S2	855.352	NA	PeJP	NA	NA
+PJ055019	TTLEMMM 	C34H61N7O12S3	855.3541	NA	PeJP	NA	NA
+PJ055020	GSNEMRY 	C34H53N11O13S	855.3545	NA	PeJP	NA	NA
+PJ055021	GGGGGGTCKY 	C34H53N11O13S	855.3546	NA	PeJP	NA	NA
+PJ055022	SSQYWW 	C42H49N9O11	855.3552	NA	PeJP	NA	NA
+PJ055023	PCCCKFR 	C35H57N11O8S3	855.3554	NA	PeJP	NA	NA
+PJ055024	GTMHHHH 	C35H49N15O9S	855.3559	NA	PeJP	NA	NA
+PJ055025	GSSSTMMR 	C31H57N11O13S2	855.3579	NA	PeJP	NA	NA
+PJ055026	SNNNDHR 	C31H49N15O14	855.3584	NA	PeJP	NA	NA
+PJ055027	TQQMYW 	C39H53N9O11S	855.3585	NA	PeJP	NA	NA
+PJ055028	NDKMYW 	C39H53N9O11S	855.3586	NA	PeJP	NA	NA
+PJ055029	GCKMMMR 	C32H61N11O8S4	855.3588	NA	PeJP	NA	NA
+PJ055030	SSSSTTTW 	C35H53N9O16	855.361	NA	PeJP	NA	NA
+PJ055031	GGSSKEEY 	C35H53N9O16	855.3611	NA	PeJP	NA	NA
+PJ055032	SSSKMMW 	C36H57N9O11S2	855.3619	NA	PeJP	NA	NA
+PJ055033	NDEHRW 	C36H49N13O12	855.3624	NA	PeJP	NA	NA
+PJ055034	PPMYYW 	C44H53N7O9S	855.3626	NA	PeJP	NA	NA
+PJ055035	SSSSTKEM 	C32H57N9O16S	855.3644	NA	PeJP	NA	NA
+PJ055036	GPVEEYY 	C40H53N7O14	855.3651	NA	PeJP	NA	NA
+PJ055037	STQKMMM 	C33H61N9O11S3	855.3653	NA	PeJP	NA	NA
+PJ055038	GSCDRRY 	C33H53N13O12S	855.3658	NA	PeJP	NA	NA
+PJ055039	APPMMFY 	C41H57N7O9S2	855.3659	NA	PeJP	NA	NA
+PJ055040	LEMMFW 	C41H57N7O9S2	855.366	NA	PeJP	NA	NA
+PJ055041	AQEHWW 	C41H49N11O10	855.3664	NA	PeJP	NA	NA
+PJ055042	SCLLEEY 	C37H57N7O14S	855.3684	NA	PeJP	NA	NA
+PJ055043	ATLEEMY 	C37H57N7O14S	855.3685	NA	PeJP	NA	NA
+PJ055044	APLMMMY 	C38H61N7O9S3	855.3693	NA	PeJP	NA	NA
+PJ055045	SNMRYW 	C38H53N11O10S	855.3698	NA	PeJP	NA	NA
+PJ055046	GNFFWW 	C46H49N9O8	855.3704	NA	PeJP	NA	NA
+PJ055047	GGGFFWW 	C46H49N9O8	855.3705	NA	PeJP	NA	NA
+PJ055048	SSSQERY 	C34H53N11O15	855.3723	NA	PeJP	NA	NA
+PJ055049	SLLMMMM 	C35H65N7O9S4	855.3727	NA	PeJP	NA	NA
+PJ055050	QQMMRY 	C35H57N11O10S2	855.3732	NA	PeJP	NA	NA
+PJ055051	STTHHHH 	C35H49N15O11	855.3736	NA	PeJP	NA	NA
+PJ055052	GGGGPTHHH 	C35H49N15O11	855.3737	NA	PeJP	NA	NA
+PJ055053	ACKYWW 	C43H53N9O8S	855.3738	NA	PeJP	NA	NA
+PJ055054	SSSSTTMR 	C31H57N11O15S	855.3757	NA	PeJP	NA	NA
+PJ055055	GSSKEYW 	C39H53N9O13	855.3763	NA	PeJP	NA	NA
+PJ055056	STCKMMR 	C32H61N11O10S3	855.3765	NA	PeJP	NA	NA
+PJ055057	GNNQMHR 	C32H53N15O11S	855.377	NA	PeJP	NA	NA
+PJ055058	NKMMFW 	C40H57N9O8S2	855.3772	NA	PeJP	NA	NA
+PJ055059	GDHRWW 	C40H49N13O9	855.3777	NA	PeJP	NA	NA
+PJ055060	GTQKEMY 	C36H57N9O13S	855.3797	NA	PeJP	NA	NA
+PJ055061	PVEYYW 	C44H53N7O11	855.3803	NA	PeJP	NA	NA
+PJ055062	PCCKKMF 	C37H61N9O8S3	855.3806	NA	PeJP	NA	NA
+PJ055063	GPTCHRW 	C37H53N13O9S	855.381	NA	PeJP	NA	NA
+PJ055064	AAHWWW 	C45H49N11O7	855.3817	NA	PeJP	NA	NA
+PJ055065	SSSSSSTTL 	C32H57N9O18	855.3822	NA	PeJP	NA	NA
+PJ055066	GSTTTKMM 	C33H61N9O13S2	855.3831	NA	PeJP	NA	NA
+PJ055067	GTQEEHR 	C33H53N13O14	855.3835	NA	PeJP	NA	NA
+PJ055068	GGGGGSPPDR 	C33H53N13O14	855.3836	NA	PeJP	NA	NA
+PJ055069	SPPVMYY 	C41H57N7O11S	855.3837	NA	PeJP	NA	NA
+PJ055070	GKKMMMM 	C34H65N9O8S4	855.3839	NA	PeJP	NA	NA
+PJ055071	CQMRRY 	C34H57N13O9S2	855.3844	NA	PeJP	NA	NA
+PJ055072	PCKHWW 	C42H53N11O7S	855.3851	NA	PeJP	NA	NA
+PJ055073	TTTLEEY 	C37H57N7O16	855.3862	NA	PeJP	NA	NA
+PJ055074	GLLEMMY 	C38H61N7O11S2	855.3871	NA	PeJP	NA	NA
+PJ055075	GSSTRYW 	C38H53N11O12	855.3875	NA	PeJP	NA	NA
+PJ055076	GPPDERW 	C38H53N11O12	855.3876	NA	PeJP	NA	NA
+PJ055077	GCNNHRR 	C31H53N17O10S	855.3882	NA	PeJP	NA	NA
+PJ055078	GGGCNHRR 	C31H53N17O10S	855.3883	NA	PeJP	NA	NA
+PJ055079	AAHHHHF 	C39H49N15O8	855.3889	NA	PeJP	NA	NA
+PJ055080	GSDKMRY 	C35H57N11O12S	855.3909	NA	PeJP	NA	NA
+PJ055081	GGGGGGGPPLM 	C35H57N11O12S	855.391	NA	PeJP	NA	NA
+PJ055082	SSKYWW 	C43H53N9O10	855.3916	NA	PeJP	NA	NA
+PJ055083	GSDEHRR 	C32H53N15O13	855.3948	NA	PeJP	NA	NA
+PJ055084	TQKMYW 	C40H57N9O10S	855.3949	NA	PeJP	NA	NA
+PJ055085	GAPPPTMW 	C40H57N9O10S	855.395	NA	PeJP	NA	NA
+PJ055086	PPFFYW 	C48H53N7O8	855.3956	NA	PeJP	NA	NA
+PJ055087	SSDKKEY 	C36H57N9O15	855.3974	NA	PeJP	NA	NA
+PJ055088	VTLEEEH 	C36H57N9O15	855.3975	NA	PeJP	NA	NA
+PJ055089	GVQKMMY 	C37H61N9O10S2	855.3983	NA	PeJP	NA	NA
+PJ055090	TQEHRW 	C37H53N13O11	855.3988	NA	PeJP	NA	NA
+PJ055091	PLMFYW 	C45H57N7O8S	855.399	NA	PeJP	NA	NA
+PJ055092	SSTTTTKM 	C33H61N9O15S	855.4008	NA	PeJP	NA	NA
+PJ055093	APTLEYY 	C41H57N7O13	855.4015	NA	PeJP	NA	NA
+PJ055094	STKKMMM 	C34H65N9O10S3	855.4017	NA	PeJP	NA	NA
+PJ055095	ASTCRRY 	C34H57N13O11S	855.4021	NA	PeJP	NA	NA
+PJ055096	GSSMRRY 	C34H57N13O11S	855.4022	NA	PeJP	NA	NA
+PJ055097	LLMMYW 	C42H61N7O8S2	855.4023	NA	PeJP	NA	NA
+PJ055098	PPDRWW 	C42H53N11O9	855.4028	NA	PeJP	NA	NA
+PJ055099	STLLEMY 	C38H61N7O13S	855.4048	NA	PeJP	NA	NA
+PJ055100	ALLMMMF 	C39H65N7O8S3	855.4057	NA	PeJP	NA	NA
+PJ055101	TCKRYW 	C39H57N11O9S	855.4062	NA	PeJP	NA	NA
+PJ055102	SSSKERY 	C35H57N11O14	855.4087	NA	PeJP	NA	NA
+PJ055103	QKMMRY 	C36H61N11O9S2	855.4095	NA	PeJP	NA	NA
+PJ055104	GAKMMRY 	C36H61N11O9S2	855.4096	NA	PeJP	NA	NA
+PJ055105	SDHRRW 	C36H53N15O10	855.41	NA	PeJP	NA	NA
+PJ055106	KMHFFF 	C44H57N9O7S	855.4102	NA	PeJP	NA	NA
+PJ055107	GTTTKYW 	C40H57N9O12	855.4127	NA	PeJP	NA	NA
+PJ055108	QEMHRR 	C33H57N15O10S	855.4134	NA	PeJP	NA	NA
+PJ055109	ATHRWW 	C41H53N13O8	855.414	NA	PeJP	NA	NA
+PJ055110	GGPHFRW 	C41H53N13O8	855.4141	NA	PeJP	NA	NA
+PJ055111	GTKKEMY 	C37H61N9O12S	855.4161	NA	PeJP	NA	NA
+PJ055112	VLEFYW 	C45H57N7O10	855.4167	NA	PeJP	NA	NA
+PJ055113	VQMHRW 	C38H57N13O8S	855.4174	NA	PeJP	NA	NA
+PJ055114	SSSTRRY 	C34H57N13O13	855.4199	NA	PeJP	NA	NA
+PJ055115	GGGGGGGGGPVK 	C34H57N13O13	855.42	NA	PeJP	NA	NA
+PJ055116	GPLLMYY 	C42H61N7O10S	855.4201	NA	PeJP	NA	NA
+PJ055117	CKMRRY 	C35H61N13O8S2	855.4208	NA	PeJP	NA	NA
+PJ055118	AAQHHHR 	C35H53N17O9	855.4213	NA	PeJP	NA	NA
+PJ055119	SVLLMMY 	C39H65N7O10S2	855.4235	NA	PeJP	NA	NA
+PJ055120	APPTERW 	C39H57N11O11	855.4239	NA	PeJP	NA	NA
+PJ055121	GGGGPPTKW 	C39H57N11O11	855.424	NA	PeJP	NA	NA
+PJ055122	CEHRRR 	C32H57N17O9S	855.4246	NA	PeJP	NA	NA
+PJ055123	GTTKMRY 	C36H61N11O11S	855.4273	NA	PeJP	NA	NA
+PJ055124	GPPTLWW 	C44H57N9O9	855.428	NA	PeJP	NA	NA
+PJ055125	AMHRRW 	C37H57N15O7S	855.4287	NA	PeJP	NA	NA
+PJ055126	GTTEHRR 	C33H57N15O12	855.4311	NA	PeJP	NA	NA
+PJ055127	ASTEHRR 	C33H57N15O12	855.4312	NA	PeJP	NA	NA
+PJ055128	TKKMYW 	C41H61N9O9S	855.4313	NA	PeJP	NA	NA
+PJ055129	PLFFFW 	C49H57N7O7	855.432	NA	PeJP	NA	NA
+PJ055130	NHHHRR 	C34H53N19O8	855.4325	NA	PeJP	NA	NA
+PJ055131	STTKKEY 	C37H61N9O14	855.4338	NA	PeJP	NA	NA
+PJ055132	GGGPVLLDE 	C37H61N9O14	855.4339	NA	PeJP	NA	NA
+PJ055133	GVKKMMY 	C38H65N9O9S2	855.4347	NA	PeJP	NA	NA
+PJ055134	TKEHRW 	C38H57N13O10	855.4352	NA	PeJP	NA	NA
+PJ055135	LLMFFW 	C46H61N7O7S	855.4354	NA	PeJP	NA	NA
+PJ055136	SPTLLYY 	C42H61N7O12	855.4378	NA	PeJP	NA	NA
+PJ055137	GVLLEYY 	C42H61N7O12	855.4379	NA	PeJP	NA	NA
+PJ055138	AVDKMHR 	C35H61N13O10S	855.4385	NA	PeJP	NA	NA
+PJ055139	APPEMRR 	C35H61N13O10S	855.4386	NA	PeJP	NA	NA
+PJ055140	SLKHWW 	C43H57N11O8	855.4392	NA	PeJP	NA	NA
+PJ055141	GPPLMRW 	C40H61N11O8S	855.4426	NA	PeJP	NA	NA
+PJ055142	STTTKRY 	C36H61N11O13	855.4451	NA	PeJP	NA	NA
+PJ055143	KKMMRY 	C37H65N11O8S2	855.4459	NA	PeJP	NA	NA
+PJ055144	TTHRRW 	C37H57N15O9	855.4464	NA	PeJP	NA	NA
+PJ055145	SPPLKEW 	C41H61N9O11	855.4491	NA	PeJP	NA	NA
+PJ055146	KEMHRR 	C34H61N15O9S	855.4498	NA	PeJP	NA	NA
+PJ055147	LHHFFR 	C42H57N13O7	855.4504	NA	PeJP	NA	NA
+PJ055148	SSLKKMY 	C38H65N9O11S	855.4524	NA	PeJP	NA	NA
+PJ055149	TTTKKMF 	C38H65N9O11S	855.4525	NA	PeJP	NA	NA
+PJ055150	VLLYYW 	C46H61N7O9	855.4531	NA	PeJP	NA	NA
+PJ055151	VKMHRW 	C39H61N13O7S	855.4538	NA	PeJP	NA	NA
+PJ055152	GPLEERR 	C35H61N13O12	855.4563	NA	PeJP	NA	NA
+PJ055153	GLLLMFY 	C43H65N7O9S	855.4565	NA	PeJP	NA	NA
+PJ055154	GPPHHRR 	C36H57N17O8	855.4577	NA	PeJP	NA	NA
+PJ055155	GPVLERW 	C40H61N11O10	855.4603	NA	PeJP	NA	NA
+PJ055156	TMHRRR 	C33H61N17O8S	855.461	NA	PeJP	NA	NA
+MJ096272	Tylosin B; 2A,4A-Di-Ac 	C43H69NO16	855.461635	NA	MeJP	NA	NA
+PJ055157	PPVKEMR 	C37H65N11O10S	855.4637	NA	PeJP	NA	NA
+PJ055158	AAPLLWW 	C45H61N9O8	855.4643	NA	PeJP	NA	NA
+PJ055159	GPVVLWW 	C45H61N9O8	855.4644	NA	PeJP	NA	NA
+PJ055160	SSTLHRR 	C34H61N15O11	855.4675	NA	PeJP	NA	NA
+PJ055161	GGGPKERR 	C34H61N15O11	855.4676	NA	PeJP	NA	NA
+PJ055162	PPVVKMW 	C42H65N9O8S	855.4677	NA	PeJP	NA	NA
+PJ055163	PLLQKEE 	C38H65N9O13	855.4702	NA	PeJP	NA	NA
+PJ055164	VLLLMMH 	C39H69N9O8S2	855.4711	NA	PeJP	NA	NA
+PJ055165	PLERRW 	C39H61N13O9	855.4716	NA	PeJP	NA	NA
+PJ055166	ATLLLYY 	C43H65N7O11	855.4742	NA	PeJP	NA	NA
+PJ055167	SPPLMRR 	C36H65N13O9S	855.4749	NA	PeJP	NA	NA
+PJ055168	PVLRWW 	C44H61N11O7	855.4756	NA	PeJP	NA	NA
+PJ055169	GSPQRRR 	C33H61N17O10	855.4788	NA	PeJP	NA	NA
+PJ055170	KKMFFR 	C41H65N11O7S	855.479	NA	PeJP	NA	NA
+PJ055171	PTLLQER 	C37H65N11O12	855.4814	NA	PeJP	NA	NA
+PJ055172	PVVKEER 	C37H65N11O12	855.4815	NA	PeJP	NA	NA
+PJ055173	PNKRRW 	C38H61N15O8	855.4828	NA	PeJP	NA	NA
+PJ055174	APLLKEW 	C42H65N9O10	855.4855	NA	PeJP	NA	NA
+PJ055175	GCKKKHR 	C35H65N15O8S	855.4862	NA	PeJP	NA	NA
+PJ055176	GPPTLLKM 	C39H69N9O10S	855.4889	NA	PeJP	NA	NA
+PJ055177	GLLLFFF 	C47H65N7O8	855.4895	NA	PeJP	NA	NA
+PJ055178	SPVLERR 	C36H65N13O11	855.4927	NA	PeJP	NA	NA
+PJ055179	APTLLRW 	C41H65N11O9	855.4967	NA	PeJP	NA	NA
+MJ096273	Platenomycin Ao 	C44H73NO15	855.49802	NA	MeJP	NA	NA
+PJ055180	PVLLQMR 	C38H69N11O9S	855.5001	NA	PeJP	NA	NA
+PJ055181	GPDKKRR 	C35H65N15O10	855.5039	NA	PeJP	NA	NA
+HMDB12439	PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H74NO10P	855.505005	NA	HMDB2010	NA	NA
+HMDB12449	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	C48H74NO10P	855.505005	NA	HMDB2010	NA	NA
+PJ055182	PLLKKEE 	C39H69N9O12	855.5066	NA	PeJP	NA	NA
+PJ055183	AAPKKRW 	C40H65N13O8	855.5079	NA	PeJP	NA	NA
+PJ055184	GVLKHFR 	C40H65N13O8	855.508	NA	PeJP	NA	NA
+PJ055185	APLLMRR 	C37H69N13O8S	855.5113	NA	PeJP	NA	NA
+PJ055186	GSPKRRR 	C34H65N17O9	855.5152	NA	PeJP	NA	NA
+PJ055187	PTLLKER 	C38H69N11O11	855.5178	NA	PeJP	NA	NA
+PJ055188	GGVLLLER 	C38H69N11O11	855.5179	NA	PeJP	NA	NA
+PJ055189	LKHFRR 	C39H65N15O7	855.5192	NA	PeJP	NA	NA
+PJ055190	SPLLLKW 	C43H69N9O9	855.5219	NA	PeJP	NA	NA
+PJ055191	AAPLLLKM 	C40H73N9O9S	855.5252	NA	PeJP	NA	NA
+PJ055192	VNRRRR 	C33H65N19O8	855.5264	NA	PeJP	NA	NA
+PJ055193	GLLLERR 	C37H69N13O10	855.5291	NA	PeJP	NA	NA
+PJ055194	GVLLLRW 	C42H69N11O8	855.5331	NA	PeJP	NA	NA
+PJ055195	PVLLKMR 	C39H73N11O8S	855.5365	NA	PeJP	NA	NA
+PJ055196	GRRRRR 	C32H65N21O7	855.5376	NA	PeJP	NA	NA
+PJ055197	APTKKRR 	C36H69N15O9	855.5403	NA	PeJP	NA	NA
+PJ055198	LLLLQKE 	C40H73N9O11	855.543	NA	PeJP	NA	NA
+PJ055199	LLLRRW 	C41H69N13O7	855.5443	NA	PeJP	NA	NA
+PJ055200	LQKRRR 	C35H69N17O8	855.5515	NA	PeJP	NA	NA
+PJ055201	GALKRRR 	C35H69N17O8	855.5516	NA	PeJP	NA	NA
+PJ055202	VVLLKER 	C39H73N11O10	855.5542	NA	PeJP	NA	NA
+PJ055203	VVVLLKW 	C44H73N9O8	855.5582	NA	PeJP	NA	NA
+PJ055204	ALLLLKW 	C44H73N9O8	855.5583	NA	PeJP	NA	NA
+PJ055205	SVLLLRR 	C38H73N13O9	855.5655	NA	PeJP	NA	NA
+EUR1015	PC 40:6 [M+Na]+	C48H84NO8P	855.575403	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1015	PC 40:6 [M+Na]+	C48H84NO8P	855.575403	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1015	PC 40:6 [M+Na]+	C48H84NO8P	855.575403	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1015	PC 40:6 [M+Na]+	C48H84NO8P	855.575403	masses lipides attendues	Inhousejuil11	NA	NA
+PJ055206	GVLKKRR 	C37H73N15O8	855.5767	NA	PeJP	NA	NA
+HMDB08387	PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08419	PC(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08450	PC(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08451	PC(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08483	PC(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08484	PC(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08515	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08642	PC(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08673	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08674	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08706	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08707	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08737	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+HMDB08738	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	C50H82NO8P	855.57782	NA	HMDB2010	NA	NA
+PJ055207	LLLLKKE 	C41H77N9O10	855.5794	NA	PeJP	NA	NA
+PJ055208	LKKRRR 	C36H73N17O7	855.5879	NA	PeJP	NA	NA
+PJ055209	TLLLLKR 	C40H77N11O9	855.5906	NA	PeJP	NA	NA
+EUR997	PC 38:4 [M+FA-H]-	C46H84NO8P	855.598337	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR997	PC 38:4 [M+FA-H]-	C46H84NO8P	855.598337	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR997	PC 38:4 [M+FA-H]-	C46H84NO8P	855.598337	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR997	PC 38:4 [M+FA-H]-	C46H84NO8P	855.598337	masses lipides attendues	Inhousejuil11	NA	NA
+PJ055210	ALLKKKR 	C39H77N13O8	855.6018	NA	PeJP	NA	NA
+PJ055211	VLLKKKK 	C41H81N11O8	855.627	NA	PeJP	NA	NA
+EUR1140	SM(d18:1/26:5) [M+Na]+	C49H90N2O6P	855.635597	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1140	SM(d18:1/26:5) [M+Na]+	C49H90N2O6P	855.635597	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1140	SM(d18:1/26:5) [M+Na]+	C49H90N2O6P	855.635597	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1140	SM(d18:1/26:5) [M+Na]+	C49H90N2O6P	855.635597	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1132	SM(d18:1/24:4) [M+FA-H]-	C47H90N2O6P	855.658531	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1132	SM(d18:1/24:4) [M+FA-H]-	C47H90N2O6P	855.658531	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1132	SM(d18:1/24:4) [M+FA-H]-	C47H90N2O6P	855.658531	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1132	SM(d18:1/24:4) [M+FA-H]-	C47H90N2O6P	855.658531	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09278	PE(20:1(11Z)/24:1(15Z))	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB09310	PE(20:2(11Z,14Z)/24:0)	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB09503	PE(22:0/22:2(13Z,16Z))	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB09535	PE(22:1(13Z)/22:1(13Z))	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB09567	PE(22:2(13Z,16Z)/22:0)	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB09726	PE(24:0/20:2(11Z,14Z))	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB09758	PE(24:1(15Z)/20:1(11Z))	C49H94NO8P	855.671692	NA	HMDB2010	NA	NA
+HMDB08786	PC(24:0/P-18:1(11Z))	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+HMDB08787	PC(24:0/P-18:1(9Z))	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+HMDB08818	PC(24:1(15Z)/P-18:0)	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+HMDB11264	PC(P-18:0/24:1(15Z))	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+HMDB11296	PC(P-18:1(11Z)/24:0)	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+HMDB11329	PC(P-18:1(9Z)/24:0)	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+HMDB13438	PC(o-18:2(9Z,12Z)/24:0)	C50H98NO7P	855.708069	NA	HMDB2010	NA	NA
+MJ096274	Axinellamine A; 1-Me ether 	C23H25Br4ClN10O4	855.848227	NA	MeJP	NA	NA
+MJ096275	Axinellamine A; 5,9-Diepimer, 1-Me ether 	C23H25Br4ClN10O4	855.848227	NA	MeJP	NA	NA
+3687	NA	STRSESRHPFPWLL	855.932	MH2+	Inhouse_peptide	NA	peptide
+MJ096276	Chetracin A 	C30H28N6O8S8	855.973427	NA	MeJP	NA	NA
+PJ055212	GCCCCCCY 	C29H44N8O10S6	856.1505	NA	PeJP	NA	NA
+PJ055213	GCCCCCEH 	C28H44N10O11S5	856.1795	NA	PeJP	NA	NA
+PJ055214	GCCDDDDD 	C28H40N8O19S2	856.1852	NA	PeJP	NA	NA
+PJ055215	CCCCCHW 	C32H44N10O8S5	856.1948	NA	PeJP	NA	NA
+PJ055216	SSCCCCDH 	C28H44N10O13S4	856.1973	NA	PeJP	NA	NA
+MJ096277	Arachnitannin 1 	C47H36O16	856.200335	NA	MeJP	NA	NA
+PJ055217	SPCCCDDD 	C29H44N8O16S3	856.2038	NA	PeJP	NA	NA
+PJ055218	PPCCCCCE 	C30H48N8O11S5	856.2047	NA	PeJP	NA	NA
+MJ096278	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C40H41O21(+)	856.206208	NA	MeJP	NA	NA
+PJ055219	GCCCNNDE 	C28H44N10O15S3	856.215	NA	PeJP	NA	NA
+PJ055220	GTCCCCMH 	C29H48N10O10S5	856.2159	NA	PeJP	NA	NA
+PJ055221	GSCDDDDM 	C29H44N8O18S2	856.2215	NA	PeJP	NA	NA
+PJ055222	GPCCCDEM 	C30H48N8O13S4	856.2224	NA	PeJP	NA	NA
+PJ055223	CCCNNDW 	C32H44N10O12S3	856.2303	NA	PeJP	NA	NA
+PJ055224	SSCCNNDD 	C28H44N10O17S2	856.2328	NA	PeJP	NA	NA
+PJ055225	SSSCCCMH 	C29H48N10O12S4	856.2336	NA	PeJP	NA	NA
+PJ055226	GGGGPTCCCC 	C29H48N10O12S4	856.2337	NA	PeJP	NA	NA
+PJ055227	SCCDDEW 	C33H44N8O15S2	856.2368	NA	PeJP	NA	NA
+PJ055228	PCCCDMW 	C34H48N8O10S4	856.2377	NA	PeJP	NA	NA
+MJ096279	Betanidin; 15-Epimer, 6-O-[?-D-glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C36H44N2O22	856.238571	NA	MeJP	NA	NA
+MJ096280	Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C36H44N2O22	856.238571	NA	MeJP	NA	NA
+PJ055229	SSSCDDDE 	C29H44N8O20S	856.2393	NA	PeJP	NA	NA
+PJ055230	CNDDEMM 	C30H48N8O15S3	856.2402	NA	PeJP	NA	NA
+PJ055231	PPTCCCCM 	C31H52N8O10S5	856.241	NA	PeJP	NA	NA
+MJ096281	Antibiotic SF 2423A 	C41H44O20	856.242593	NA	MeJP	NA	NA
+PJ055232	CCCNMHF 	C33H48N10O9S4	856.2489	NA	PeJP	NA	NA
+PJ055233	CCDDDMR 	C29H48N10O14S3	856.2514	NA	PeJP	NA	NA
+C06782	7-Hydroxylpradimicin A	C40H44N2O19	856.2538	NA	KEGG	NA	NA
+MJ096282	Pradimicin A; 7-Hydroxy 	C40H44N2O19	856.253827	NA	MeJP	NA	NA
+MJ096283	Pradimicin FA 1 	C40H44N2O19	856.253827	NA	MeJP	NA	NA
+PJ055234	CNDDDEF 	C33H44N8O17S	856.2546	NA	PeJP	NA	NA
+PJ055235	GCDDMMW 	C34H48N8O12S3	856.2554	NA	PeJP	NA	NA
+PJ055236	GSSDDDMM 	C30H48N8O17S2	856.2579	NA	PeJP	NA	NA
+PJ055237	GSPCCEMM 	C31H52N8O12S4	856.2588	NA	PeJP	NA	NA
+PJ055238	CCNDEHH 	C31H44N12O13S2	856.2593	NA	PeJP	NA	NA
+PJ055239	GSCCCNDR 	C28H48N12O13S3	856.2626	NA	PeJP	NA	NA
+MJ096284	Justisolin; O-[?-D-Glucopyranosyl-(1?2)[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C38H48O22	856.263723	NA	MeJP	NA	NA
+MJ096285	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl)(E-), 6-O-[4-(?-D-glucopyranosyloxy)-3-methoxycinnamoyl](E-) 	C38H48O22	856.263723	NA	MeJP	NA	NA
+MJ096286	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6'-O-(4-?-D-glucopyranosyloxy-3-methoxycinnamoyl) 	C38H48O22	856.263723	NA	MeJP	NA	NA
+PJ055240	CNNNDDY 	C32H44N10O16S	856.2658	NA	PeJP	NA	NA
+PJ055241	SCCNNMW 	C33H48N10O11S3	856.2666	NA	PeJP	NA	NA
+PJ055242	GGSCCNMW 	C33H48N10O11S3	856.2667	NA	PeJP	NA	NA
+PJ055243	SSSCNNDM 	C29H48N10O16S2	856.2691	NA	PeJP	NA	NA
+PJ055244	GGSSSCNDM 	C29H48N10O16S2	856.2692	NA	PeJP	NA	NA
+PJ055245	GCDDDFW 	C37H44N8O14S	856.2698	NA	PeJP	NA	NA
+PJ055246	CNNNMMM 	C30H52N10O11S4	856.27	NA	PeJP	NA	NA
+PJ055247	CCEMWW 	C38H48N8O9S3	856.2707	NA	PeJP	NA	NA
+PJ055248	SNDDDEY 	C33H44N8O19	856.2723	NA	PeJP	NA	NA
+PJ055249	SSCDEMW 	C34H48N8O14S2	856.2732	NA	PeJP	NA	NA
+PJ055250	SPCCMMW 	C35H52N8O9S4	856.274	NA	PeJP	NA	NA
+PJ055251	GPPCCCMF 	C35H52N8O9S4	856.2741	NA	PeJP	NA	NA
+PJ055252	GCCDHHW 	C35H44N12O10S2	856.2745	NA	PeJP	NA	NA
+PJ055253	SSSSDDEM 	C30H48N8O19S	856.2757	NA	PeJP	NA	NA
+PJ055254	SNDEMMM 	C31H52N8O14S3	856.2765	NA	PeJP	NA	NA
+PJ055255	GGSDEMMM 	C31H52N8O14S3	856.2766	NA	PeJP	NA	NA
+PJ055256	GSSCDDHH 	C31H44N12O15S	856.277	NA	PeJP	NA	NA
+PJ055257	CDMYYY 	C39H48N6O12S2	856.2772	NA	PeJP	NA	NA
+PJ055258	PCNMMMM 	C32H56N8O9S5	856.2774	NA	PeJP	NA	NA
+PJ055259	GPTCCCHH 	C32H48N12O10S3	856.2779	NA	PeJP	NA	NA
+PJ055260	CCCNQMR 	C29H52N12O10S4	856.2812	NA	PeJP	NA	NA
+PJ055261	GGCCCQMR 	C29H52N12O10S4	856.2813	NA	PeJP	NA	NA
+PJ055262	GSPDDDDH 	C32H44N10O18	856.2836	NA	PeJP	NA	NA
+PJ055263	GSSSCCQW 	C33H48N10O13S2	856.2844	NA	PeJP	NA	NA
+PJ055264	GSSSSSCNE 	C29H48N10O18S	856.2869	NA	PeJP	NA	NA
+PJ055265	GSDDDYW 	C37H44N8O16	856.2876	NA	PeJP	NA	NA
+PJ055266	SCDDMMR 	C30H52N10O13S3	856.2878	NA	PeJP	NA	NA
+PJ055267	GPCCEYW 	C38H48N8O11S2	856.2884	NA	PeJP	NA	NA
+MJ096287	Perdeacylemarginatine; 1,6,8,14-Tetra-Ac 	C41H48N2O18	856.290212	NA	MeJP	NA	NA
+MJ096288	Perdeacylemarginatine; 1,6,8,9-Tetra-Ac 	C41H48N2O18	856.290212	NA	MeJP	NA	NA
+MJ096289	Perdeacylemarginatine; 6,8,9,14-Tetra-Ac 	C41H48N2O18	856.290212	NA	MeJP	NA	NA
+PJ055268	GNDEEMY 	C34H48N8O16S	856.2909	NA	PeJP	NA	NA
+PJ055269	GSDMMMW 	C35H52N8O11S3	856.2918	NA	PeJP	NA	NA
+PJ055270	CCCCNRR 	C28H52N14O9S4	856.2925	NA	PeJP	NA	NA
+PJ055271	GSSSEEMM 	C31H52N8O16S2	856.2943	NA	PeJP	NA	NA
+PJ055272	NNNDDEH 	C31H44N12O17	856.2948	NA	PeJP	NA	NA
+PJ055273	GQEMMMM 	C32H56N8O11S4	856.2952	NA	PeJP	NA	NA
+PJ055274	SCNEMHH 	C32H48N12O12S2	856.2956	NA	PeJP	NA	NA
+PJ055275	GGSCEMHH 	C32H48N12O12S2	856.2957	NA	PeJP	NA	NA
+PJ055276	CMMFYY 	C40H52N6O9S3	856.2958	NA	PeJP	NA	NA
+PJ055277	GSSCCNMR 	C29H52N12O12S3	856.299	NA	PeJP	NA	NA
+PJ055278	GCCNQFW 	C37H48N10O10S2	856.2997	NA	PeJP	NA	NA
+PJ055279	SCNNQEY 	C33H48N10O15S	856.3021	NA	PeJP	NA	NA
+PJ055280	SSSSSCNW 	C33H48N10O15S	856.3022	NA	PeJP	NA	NA
+PJ055281	SCCCQKW 	C34H52N10O10S3	856.303	NA	PeJP	NA	NA
+PJ055282	PCCYWW 	C42H48N8O8S2	856.3037	NA	PeJP	NA	NA
+PJ055283	SSSSSSSND 	C29H48N10O20	856.3047	NA	PeJP	NA	NA
+PJ055284	SSSSNNMM 	C30H52N10O15S2	856.3055	NA	PeJP	NA	NA
+PJ055285	NDEMYW 	C38H48N8O13S	856.3062	NA	PeJP	NA	NA
+PJ055286	GCEMMMR 	C31H56N10O10S4	856.3064	NA	PeJP	NA	NA
+PJ055287	SCCDHHR 	C31H48N14O11S2	856.3069	NA	PeJP	NA	NA
+PJ055288	TCMMWW 	C39H52N8O8S3	856.3071	NA	PeJP	NA	NA
+PJ055289	SSNEEEY 	C34H48N8O18	856.3087	NA	PeJP	NA	NA
+PJ055290	SSSEMMW 	C35H52N8O13S2	856.3096	NA	PeJP	NA	NA
+PJ055291	GNNDDHW 	C35H44N12O14	856.31	NA	PeJP	NA	NA
+PJ055292	GGGGGDDHW 	C35H44N12O14	856.3101	NA	PeJP	NA	NA
+PJ055293	CDFFYY 	C43H48N6O11S	856.3102	NA	PeJP	NA	NA
+PJ055294	QMMMMW 	C36H56N8O8S4	856.3104	NA	PeJP	NA	NA
+PJ055295	GSCMHHW 	C36H48N12O9S2	856.3109	NA	PeJP	NA	NA
+PJ055296	SSSSTEEM 	C31H52N8O18S	856.3121	NA	PeJP	NA	NA
+PJ055297	STQEMMM 	C32H56N8O13S3	856.3129	NA	PeJP	NA	NA
+PJ055298	PCDDDHR 	C32H48N12O14S	856.3134	NA	PeJP	NA	NA
+PJ055299	SMMYYY 	C40H52N6O11S2	856.3136	NA	PeJP	NA	NA
+PJ055300	GNMMMHH 	C33H52N12O9S3	856.3143	NA	PeJP	NA	NA
+PJ055301	SSSSCCQR 	C29H52N12O14S2	856.3168	NA	PeJP	NA	NA
+PJ055302	CDDRYW 	C37H48N10O12S	856.3174	NA	PeJP	NA	NA
+PJ055303	CCCNKMR 	C30H56N12O9S4	856.3176	NA	PeJP	NA	NA
+PJ055304	GGCCCKMR 	C30H56N12O9S4	856.3177	NA	PeJP	NA	NA
+PJ055305	SSDDDRY 	C33H48N10O17	856.3199	NA	PeJP	NA	NA
+PJ055306	GGGGGPPDDE 	C33H48N10O17	856.32	NA	PeJP	NA	NA
+PJ055307	GSSSCCKW 	C34H52N10O12S2	856.3208	NA	PeJP	NA	NA
+PJ055308	GDMYWW 	C42H48N8O10S	856.3214	NA	PeJP	NA	NA
+PJ055309	CMMMRW 	C35H56N10O7S4	856.3217	NA	PeJP	NA	NA
+PJ055310	GSSSSSSQM 	C30H52N10O17S	856.3233	NA	PeJP	NA	NA
+PJ055311	GSSEEYW 	C38H48N8O15	856.3239	NA	PeJP	NA	NA
+PJ055312	GGGPDEYY 	C38H48N8O15	856.324	NA	PeJP	NA	NA
+PJ055313	SSDMMMR 	C31H56N10O12S3	856.3242	NA	PeJP	NA	NA
+PJ055314	NNNNNMH 	C31H48N14O13S	856.3246	NA	PeJP	NA	NA
+PJ055315	GGGGGGNNMH 	C31H48N14O13S	856.3247	NA	PeJP	NA	NA
+PJ055316	GPTCMYW 	C39H52N8O10S2	856.3248	NA	PeJP	NA	NA
+PJ055317	ACCMHHR 	C32H52N14O8S3	856.3255	NA	PeJP	NA	NA
+PJ055318	GTQEEMY 	C35H52N8O15S	856.3273	NA	PeJP	NA	NA
+PJ055319	GEYYYY 	C43H48N6O13	856.328	NA	PeJP	NA	NA
+PJ055320	GTTMMMW 	C36H56N8O10S3	856.3282	NA	PeJP	NA	NA
+PJ055321	SSTCHHW 	C36H48N12O11S	856.3287	NA	PeJP	NA	NA
+PJ055322	CMFFFY 	C44H52N6O8S2	856.3288	NA	PeJP	NA	NA
+PJ055323	GSTTTEMM 	C32H56N8O15S2	856.3307	NA	PeJP	NA	NA
+PJ055324	SNNQEEH 	C32H48N12O16	856.3311	NA	PeJP	NA	NA
+PJ055325	GDDEEHR 	C32H48N12O16	856.3312	NA	PeJP	NA	NA
+PJ055326	SVQMMMM 	C33H60N8O10S4	856.3315	NA	PeJP	NA	NA
+PJ055327	GKEMMMM 	C33H60N8O10S4	856.3316	NA	PeJP	NA	NA
+PJ055328	GCNNMRY 	C33H52N12O11S2	856.332	NA	PeJP	NA	NA
+PJ055329	GGGGGGPMMH 	C33H52N12O11S2	856.3321	NA	PeJP	NA	NA
+PJ055330	PCEHWW 	C41H48N10O9S	856.3327	NA	PeJP	NA	NA
+PJ055331	GSSSSSSCR 	C29H52N12O16S	856.3345	NA	PeJP	NA	NA
+PJ055332	SSSNNYW 	C37H48N10O14	856.3352	NA	PeJP	NA	NA
+PJ055333	GSTCCCKR 	C30H56N12O11S3	856.3354	NA	PeJP	NA	NA
+PJ055334	GCCNKFW 	C38H52N10O9S2	856.336	NA	PeJP	NA	NA
+PJ055335	CDMFRW 	C38H52N10O9S2	856.3361	NA	PeJP	NA	NA
+PJ055336	SSNQQMY 	C34H52N10O14S	856.3385	NA	PeJP	NA	NA
+PJ055337	GSDEMRY 	C34H52N10O14S	856.3386	NA	PeJP	NA	NA
+PJ055338	SSEYWW 	C42H48N8O12	856.3392	NA	PeJP	NA	NA
+PJ055339	SCCCKKW 	C35H56N10O9S3	856.3394	NA	PeJP	NA	NA
+PJ055340	GMMFWW 	C43H52N8O7S2	856.3401	NA	PeJP	NA	NA
+PJ055341	SSSSSSSTQ 	C30H52N10O19	856.341	NA	PeJP	NA	NA
+PJ055342	SSSSCQKM 	C31H56N10O14S2	856.3419	NA	PeJP	NA	NA
+PJ055343	SNNDDHR 	C31H48N14O15	856.3424	NA	PeJP	NA	NA
+PJ055344	TQEMYW 	C39H52N8O12S	856.3426	NA	PeJP	NA	NA
+PJ055345	GTMMMMR 	C32H60N10O9S4	856.3428	NA	PeJP	NA	NA
+PJ055346	YYYYW 	C47H48N6O10	856.3432	NA	PeJP	NA	NA
+PJ055347	SSCMHHR 	C32H52N14O10S2	856.3433	NA	PeJP	NA	NA
+PJ055348	CQHHFW 	C40H48N12O8S	856.3439	NA	PeJP	NA	NA
+PJ055349	SSDKEEY 	C35H52N8O17	856.3451	NA	PeJP	NA	NA
+PJ055350	STTTMMW 	C36H56N8O12S2	856.3459	NA	PeJP	NA	NA
+PJ055351	GGGLEMMY 	C36H56N8O12S2	856.346	NA	PeJP	NA	NA
+PJ055352	DDEHRW 	C36H48N12O13	856.3464	NA	PeJP	NA	NA
+PJ055353	AMFYYY 	C44H52N6O10S	856.3466	NA	PeJP	NA	NA
+PJ055354	KMMMMW 	C37H60N8O7S4	856.3468	NA	PeJP	NA	NA
+PJ055355	SSTTTTEM 	C32H56N8O17S	856.3484	NA	PeJP	NA	NA
+PJ055356	STKEMMM 	C33H60N8O12S3	856.3493	NA	PeJP	NA	NA
+PJ055357	SSCNQRY 	C33H52N12O13S	856.3498	NA	PeJP	NA	NA
+PJ055358	AEEHWW 	C41H48N10O11	856.3504	NA	PeJP	NA	NA
+PJ055359	GGGGGGFYW 	C41H48N10O11	856.3505	NA	PeJP	NA	NA
+PJ055360	ACKMMHH 	C34H56N12O8S3	856.3507	NA	PeJP	NA	NA
+PJ055361	SSSSCCKR 	C30H56N12O13S2	856.3532	NA	PeJP	NA	NA
+PJ055362	SDMRYW 	C38H52N10O11S	856.3538	NA	PeJP	NA	NA
+PJ055363	GDFFWW 	C46H48N8O9	856.3545	NA	PeJP	NA	NA
+PJ055364	SSSEERY 	C34H52N10O16	856.3563	NA	PeJP	NA	NA
+PJ055365	QEMMRY 	C35H56N10O11S2	856.3572	NA	PeJP	NA	NA
+PJ055366	SPNEHHH 	C35H48N14O12	856.3577	NA	PeJP	NA	NA
+PJ055367	ATMYWW 	C43H52N8O9S	856.3578	NA	PeJP	NA	NA
+PJ055368	GSSSSSSKM 	C31H56N10O16S	856.3597	NA	PeJP	NA	NA
+PJ055369	GTTTEYW 	C39H52N8O14	856.3603	NA	PeJP	NA	NA
+PJ055370	STTMMMR 	C32H60N10O11S3	856.3605	NA	PeJP	NA	NA
+PJ055371	GSTCCKKM 	C32H60N10O11S3	856.3606	NA	PeJP	NA	NA
+PJ055372	GNNEMHR 	C32H52N14O12S	856.361	NA	PeJP	NA	NA
+PJ055373	GGGGGGGACKH 	C32H52N14O12S	856.3611	NA	PeJP	NA	NA
+PJ055374	VQMMYW 	C40H56N8O9S2	856.3612	NA	PeJP	NA	NA
+PJ055375	SNQHWW 	C40H48N12O10	856.3617	NA	PeJP	NA	NA
+PJ055376	CFFFFF 	C48H52N6O7S	856.3619	NA	PeJP	NA	NA
+PJ055377	GTKEEMY 	C36H56N8O14S	856.3637	NA	PeJP	NA	NA
+PJ055378	SVYYYY 	C44H52N6O12	856.3643	NA	PeJP	NA	NA
+PJ055379	GPKMMMY 	C37H60N8O9S3	856.3646	NA	PeJP	NA	NA
+PJ055380	QQQMHW 	C37H52N12O10S	856.365	NA	PeJP	NA	NA
+PJ055381	GGAAQMHW 	C37H52N12O10S	856.3651	NA	PeJP	NA	NA
+PJ055382	SSSTTLMM 	C33H60N8O14S2	856.3671	NA	PeJP	NA	NA
+PJ055383	GSSSSNRY 	C33H52N12O15	856.3675	NA	PeJP	NA	NA
+PJ055384	GTEEEHR 	C33H52N12O15	856.3676	NA	PeJP	NA	NA
+PJ055385	SVKMMMM 	C34H64N8O9S4	856.3679	NA	PeJP	NA	NA
+PJ055386	CEMRRY 	C34H56N12O10S2	856.3684	NA	PeJP	NA	NA
+PJ055387	GNQQHHH 	C34H48N16O11	856.3689	NA	PeJP	NA	NA
+PJ055388	PTMHWW 	C42H52N10O8S	856.3691	NA	PeJP	NA	NA
+PJ055389	QQQQYY 	C38H52N10O13	856.3715	NA	PeJP	NA	NA
+PJ055390	KEEEHW 	C38H52N10O13	856.3716	NA	PeJP	NA	NA
+PJ055391	GCNDHRR 	C31H52N16O11S	856.3723	NA	PeJP	NA	NA
+PJ055392	AMMRYW 	C39H56N10O8S2	856.3724	NA	PeJP	NA	NA
+PJ055393	GSPHHHW 	C39H48N14O9	856.3729	NA	PeJP	NA	NA
+PJ055394	GTTEMRY 	C35H56N10O13S	856.3749	NA	PeJP	NA	NA
+PJ055395	GAALEEMH 	C35H56N10O13S	856.375	NA	PeJP	NA	NA
+MJ096290	Doricin 	C43H52N8O11	856.375554	NA	MeJP	NA	NA
+PJ055396	TTTYWW 	C43H52N8O11	856.3756	NA	PeJP	NA	NA
+PJ055397	AAMMMFR 	C36H60N10O8S3	856.3758	NA	PeJP	NA	NA
+PJ055398	NNMHRW 	C36H52N14O9S	856.3763	NA	PeJP	NA	NA
+PJ055399	SSSSSSSTK 	C31H56N10O18	856.3774	NA	PeJP	NA	NA
+PJ055400	SSSSCKKM 	C32H60N10O13S2	856.3783	NA	PeJP	NA	NA
+PJ055401	SSNQEHR 	C32H52N14O14	856.3788	NA	PeJP	NA	NA
+PJ055402	VTTTCFW 	C40H56N8O11S	856.3789	NA	PeJP	NA	NA
+PJ055403	TKEMYW 	C40H56N8O11S	856.379	NA	PeJP	NA	NA
+PJ055404	AFFFYY 	C48H52N6O9	856.3796	NA	PeJP	NA	NA
+PJ055405	GGPCCKHR 	C33H56N14O9S2	856.3797	NA	PeJP	NA	NA
+PJ055406	CKHHFW 	C41H52N12O7S	856.3803	NA	PeJP	NA	NA
+PJ055407	STTKEEY 	C36H56N8O16	856.3814	NA	PeJP	NA	NA
+PJ055408	TTTDKEY 	C36H56N8O16	856.3815	NA	PeJP	NA	NA
+PJ055409	GVKEMMY 	C37H60N8O11S2	856.3823	NA	PeJP	NA	NA
+PJ055410	TEEHRW 	C37H52N12O12	856.3828	NA	PeJP	NA	NA
+PJ055411	PMMHRW 	C38H56N12O7S2	856.3837	NA	PeJP	NA	NA
+PJ055412	TTTTTTTM 	C33H60N8O16S	856.3848	NA	PeJP	NA	NA
+PJ055413	SSCNKRY 	C34H56N12O12S	856.3862	NA	PeJP	NA	NA
+PJ055414	SLEHWW 	C42H52N10O10	856.3868	NA	PeJP	NA	NA
+PJ055415	APCHHHR 	C35H52N16O8S	856.3875	NA	PeJP	NA	NA
+MJ096291	Antibiotic Mer-WF 3010 	C45H60O16	856.388135	NA	MeJP	NA	NA
+MJ096292	Neoleurocristine 	C46H56N4O12	856.389473	NA	MeJP	NA	NA
+PJ055416	TTMRYW 	C39H56N10O10S	856.3902	NA	PeJP	NA	NA
+PJ055417	GVFYWW 	C47H52N8O8	856.3908	NA	PeJP	NA	NA
+PJ055418	GGPFFFW 	C47H52N8O8	856.3909	NA	PeJP	NA	NA
+PJ055419	STTTERY 	C35H56N10O15	856.3927	NA	PeJP	NA	NA
+PJ055420	KEMMRY 	C36H60N10O10S2	856.3936	NA	PeJP	NA	NA
+PJ055421	GSSQHRW 	C36H52N14O11	856.394	NA	PeJP	NA	NA
+PJ055422	GGGGGPNRW 	C36H52N14O11	856.3941	NA	PeJP	NA	NA
+PJ055423	VQMFFW 	C44H56N8O8S	856.3942	NA	PeJP	NA	NA
+PJ055424	SSTTLYW 	C40H56N8O13	856.3967	NA	PeJP	NA	NA
+PJ055425	EEMHRR 	C33H56N14O11S	856.3974	NA	PeJP	NA	NA
+PJ055426	VKMMYW 	C41H60N8O8S2	856.3976	NA	PeJP	NA	NA
+PJ055427	SNKHWW 	C41H52N12O9	856.398	NA	PeJP	NA	NA
+PJ055428	GGSKHWW 	C41H52N12O9	856.3981	NA	PeJP	NA	NA
+PJ055429	SSLKEMY 	C37H60N8O13S	856.4001	NA	PeJP	NA	NA
+PJ055430	GLKMMMF 	C38H64N8O8S3	856.401	NA	PeJP	NA	NA
+PJ055431	VEMHRW 	C38H56N12O9S	856.4014	NA	PeJP	NA	NA
+PJ055432	FRYWW 	C46H52N10O7	856.4021	NA	PeJP	NA	NA
+PJ055433	SSLEEHR 	C34H56N12O14	856.4039	NA	PeJP	NA	NA
+PJ055434	GGGGPVEER 	C34H56N12O14	856.404	NA	PeJP	NA	NA
+PJ055435	TMMRRY 	C35H60N12O9S2	856.4048	NA	PeJP	NA	NA
+PJ055436	AAEHHHR 	C35H52N16O10	856.4053	NA	PeJP	NA	NA
+PJ055437	VVMHWW 	C43H56N10O7S	856.4055	NA	PeJP	NA	NA
+PJ055438	ATTLEHW 	C39H56N10O12	856.4079	NA	PeJP	NA	NA
+PJ055439	SSVLEHW 	C39H56N10O12	856.408	NA	PeJP	NA	NA
+PJ055440	GSNMHRR 	C32H56N16O10S	856.4086	NA	PeJP	NA	NA
+PJ055441	GGGSMHRR 	C32H56N16O10S	856.4087	NA	PeJP	NA	NA
+MJ096293	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] 	C42H64O18	856.409265	NA	MeJP	NA	NA
+MJ096294	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1??)-2,6-dideoxy-3-O-methyl-D-arabino-hexopyranoside] 	C42H64O18	856.409265	NA	MeJP	NA	NA
+MJ096295	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1??)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] 	C42H64O18	856.409265	NA	MeJP	NA	NA
+MJ096296	Oleagenin; 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-D-digitaloside] 	C42H64O18	856.409265	NA	MeJP	NA	NA
+MJ096297	Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C42H64O18	856.409265	NA	MeJP	NA	NA
+MJ096298	Thevetiogenin; 5-Epimer, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] 	C42H64O18	856.409265	NA	MeJP	NA	NA
+PJ055442	LQHHHW 	C40H52N14O8	856.4093	NA	PeJP	NA	NA
+7885	peptide from soybean b-conglycinin (Glycine max)	LNSGDALRVPSGTTYY	856.4109	MH2+	Inhouse_peptide	NA	peptide
+PJ055443	SSTLMRY 	C36H60N10O12S	856.4113	NA	PeJP	NA	NA
+PJ055444	PTKYYW 	C44H56N8O10	856.412	NA	PeJP	NA	NA
+PJ055445	CQKHRW 	C37H56N14O8S	856.4127	NA	PeJP	NA	NA
+PJ055446	GPNEERR 	C33H56N14O13	856.4152	NA	PeJP	NA	NA
+PJ055447	PPCLLEW 	C41H60N8O10S	856.4153	NA	PeJP	NA	NA
+PJ055448	PPVVEMW 	C41H60N8O10S	856.4154	NA	PeJP	NA	NA
+PJ055449	DHHHRR 	C34H52N18O9	856.4165	NA	PeJP	NA	NA
+PJ055450	SSSSTLLY 	C37H60N8O15	856.4178	NA	PeJP	NA	NA
+PJ055451	PLLQEEE 	C37H60N8O15	856.4179	NA	PeJP	NA	NA
+PJ055452	ATLKMMY 	C38H64N8O10S2	856.4187	NA	PeJP	NA	NA
+PJ055453	AAPQERW 	C38H56N12O11	856.4192	NA	PeJP	NA	NA
+PJ055454	SVQQKMH 	C35H60N12O11S	856.4225	NA	PeJP	NA	NA
+PJ055455	ATLEMHR 	C35H60N12O11S	856.4226	NA	PeJP	NA	NA
+PJ055456	GSPPKWW 	C43H56N10O9	856.4232	NA	PeJP	NA	NA
+MJ096299	24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[4-Hydroxybenzoyl-(?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C46H64O15	856.424521	NA	MeJP	NA	NA
+PJ055457	SSSQHRR 	C32H56N16O12	856.4264	NA	PeJP	NA	NA
+PJ055458	GTLLMHW 	C40H60N10O9S	856.4266	NA	PeJP	NA	NA
+PJ055459	LHFFFF 	C48H56N8O7	856.4272	NA	PeJP	NA	NA
+PJ055460	GSSSTKKY 	C36H60N10O14	856.4291	NA	PeJP	NA	NA
+PJ055461	GCKKKMY 	C37H64N10O9S2	856.43	NA	PeJP	NA	NA
+PJ055462	PNERRW 	C37H56N14O10	856.4304	NA	PeJP	NA	NA
+PJ055463	VKMFFW 	C45H60N8O7S	856.4306	NA	PeJP	NA	NA
+PJ055464	APLLEEW 	C41H60N8O12	856.4331	NA	PeJP	NA	NA
+PJ055465	SPPNMRR 	C34H60N14O10S	856.4338	NA	PeJP	NA	NA
+PJ055466	PVNRWW 	C42H56N12O8	856.4344	NA	PeJP	NA	NA
+PJ055467	GGPVRWW 	C42H56N12O8	856.4345	NA	PeJP	NA	NA
+PJ055468	TTTLKMY 	C38H64N8O12S	856.4365	NA	PeJP	NA	NA
+PJ055469	APPCKRW 	C39H60N12O8S	856.4378	NA	PeJP	NA	NA
+PJ055470	TTTLEHR 	C35H60N12O13	856.4403	NA	PeJP	NA	NA
+PJ055471	GGGGGGGGGVLL 	C35H60N12O13	856.4404	NA	PeJP	NA	NA
+PJ055472	GLLMMHR 	C36H64N12O8S2	856.4412	NA	PeJP	NA	NA
+PJ055473	NQHFRR 	C36H56N16O9	856.4417	NA	PeJP	NA	NA
+PJ055474	STTLLHW 	C40H60N10O11	856.4443	NA	PeJP	NA	NA
+PJ055475	GGAPLKEW 	C40H60N10O11	856.4444	NA	PeJP	NA	NA
+PJ055476	GTCKHRR 	C33H60N16O9S	856.445	NA	PeJP	NA	NA
+MJ096300	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C43H68O17	856.44565	NA	MeJP	NA	NA
+PJ055477	GPRRWW 	C41H56N14O7	856.4457	NA	PeJP	NA	NA
+PJ055478	STCKKKY 	C37H64N10O11S	856.4477	NA	PeJP	NA	NA
+PJ055479	VVKYYW 	C45H60N8O9	856.4484	NA	PeJP	NA	NA
+PJ055480	CKKHRW 	C38H60N14O7S	856.4491	NA	PeJP	NA	NA
+PJ055481	APTQERR 	C34H60N14O12	856.4515	NA	PeJP	NA	NA
+PJ055482	GPDKERR 	C34H60N14O12	856.4516	NA	PeJP	NA	NA
+PJ055483	PPTLLMW 	C42H64N8O9S	856.4517	NA	PeJP	NA	NA
+MJ096301	Antibiotic 66-40C 	C38H64N8O14	856.454198	NA	MeJP	NA	NA
+MJ096302	Aurantimycin A 	C38H64N8O14	856.454198	NA	MeJP	NA	NA
+MJ096303	Diperamycin 	C38H64N8O14	856.454198	NA	MeJP	NA	NA
+PJ055484	PLLKEEE 	C38H64N8O14	856.4542	NA	PeJP	NA	NA
+PJ055485	GPPVLLMM 	C39H68N8O9S2	856.4551	NA	PeJP	NA	NA
+PJ055486	AAPKERW 	C39H60N12O10	856.4556	NA	PeJP	NA	NA
+MJ096304	Antibiotic G 83 	C42H68N2O16	856.456884	NA	MeJP	NA	NA
+PJ055487	STLLMHR 	C36H64N12O10S	856.4589	NA	PeJP	NA	NA
+PJ055488	GAPPTKMR 	C36H64N12O10S	856.459	NA	PeJP	NA	NA
+PJ055489	PLQKWW 	C44H60N10O8	856.4596	NA	PeJP	NA	NA
+MJ096305	Avermectin B1b; 5-Ketone 	C47H68O14	856.460906	NA	MeJP	NA	NA
+MJ096306	Vindolidine 	C48H64N4O10	856.462244	NA	MeJP	NA	NA
+PJ055490	GSPERRR 	C33H60N16O11	856.4628	NA	PeJP	NA	NA
+PJ055491	APPKKMW 	C41H64N10O8S	856.463	NA	PeJP	NA	NA
+PJ055492	PTLLEER 	C37H64N10O13	856.4655	NA	PeJP	NA	NA
+PJ055493	PPLLMMR 	C38H68N10O8S2	856.4663	NA	PeJP	NA	NA
+MJ096307	Mammoside I 	C40H72O19	856.46678	NA	MeJP	NA	NA
+MJ096308	Merremoside I 	C40H72O19	856.46678	NA	MeJP	NA	NA
+PJ055494	PDKRRW 	C38H60N14O9	856.4668	NA	PeJP	NA	NA
+PJ055495	SPLLLEW 	C42H64N8O11	856.4695	NA	PeJP	NA	NA
+PJ055496	GPLQMRR 	C35H64N14O9S	856.4702	NA	PeJP	NA	NA
+PJ055497	VLHFRW 	C43H60N12O7	856.4708	NA	PeJP	NA	NA
+PJ055498	AAPLLLEM 	C39H68N8O11S	856.4729	NA	PeJP	NA	NA
+PJ055499	NQQRRR 	C32H60N18O10	856.474	NA	PeJP	NA	NA
+PJ055500	KKKMHW 	C40H64N12O7S	856.4742	NA	PeJP	NA	NA
+PJ055501	APKKEER 	C36H64N12O12	856.4767	NA	PeJP	NA	NA
+PJ055502	SPRRRW 	C37H60N16O8	856.478	NA	PeJP	NA	NA
+MJ096309	Tartrolone B 	C46H68BO14(-)	856.478037	NA	MeJP	NA	NA
+PJ055503	GGKHFRR 	C37H60N16O8	856.4781	NA	PeJP	NA	NA
+PJ055504	GPLKKEW 	C41H64N10O10	856.4807	NA	PeJP	NA	NA
+PJ055505	AAPMRRR 	C34H64N16O8S	856.4814	NA	PeJP	NA	NA
+MJ096310	Spirostan-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H72O16	856.482036	NA	MeJP	NA	NA
+MJ096311	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucopyranoside] 	C44H72O16	856.482036	NA	MeJP	NA	NA
+MJ096312	Spirostane-1,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C44H72O16	856.482036	NA	MeJP	NA	NA
+PJ055506	PVLLEMR 	C38H68N10O10S	856.4841	NA	PeJP	NA	NA
+PJ055507	PPVVLFW 	C46H64N8O8	856.4848	NA	PeJP	NA	NA
+PJ055508	APTKERR 	C35H64N14O11	856.4879	NA	PeJP	NA	NA
+PJ055509	GGGLLERR 	C35H64N14O11	856.488	NA	PeJP	NA	NA
+PJ055510	PVVLLMW 	C43H68N8O8S	856.4881	NA	PeJP	NA	NA
+PJ055511	LLLLQEE 	C39H68N8O13	856.4906	NA	PeJP	NA	NA
+PJ055512	GPTLKRW 	C40H64N12O9	856.492	NA	PeJP	NA	NA
+PJ055513	PPTKKMR 	C37H68N12O9S	856.4953	NA	PeJP	NA	NA
+PJ055514	PLKKWW 	C45H64N10O7	856.496	NA	PeJP	NA	NA
+PJ055515	LQERRR 	C34H64N16O10	856.4992	NA	PeJP	NA	NA
+PJ055516	VLLQQKE 	C38H68N10O12	856.5018	NA	PeJP	NA	NA
+PJ055517	VVLLEER 	C38H68N10O12	856.5019	NA	PeJP	NA	NA
+PJ055518	VLQRRW 	C39H64N14O8	856.5032	NA	PeJP	NA	NA
+PJ055519	ALLLLEW 	C43H68N8O10	856.5059	NA	PeJP	NA	NA
+PJ055520	GPLKMRR 	C36H68N14O8S	856.5066	NA	PeJP	NA	NA
+PJ055521	GPTLLLLM 	C40H72N8O10S	856.5093	NA	PeJP	NA	NA
+PJ055522	VDRRRR 	C33H64N18O9	856.5104	NA	PeJP	NA	NA
+PJ055523	SPLKKER 	C37H68N12O11	856.5131	NA	PeJP	NA	NA
+PJ055524	ALRRRW 	C38H64N16O7	856.5144	NA	PeJP	NA	NA
+PJ055525	SPVLKKW 	C42H68N10O9	856.5171	NA	PeJP	NA	NA
+PJ055526	PLLQKKM 	C39H72N10O9S	856.5205	NA	PeJP	NA	NA
+PJ055527	GVLKERR 	C36H68N14O10	856.5243	NA	PeJP	NA	NA
+PJ055528	LLLLKEE 	C40H72N8O12	856.527	NA	PeJP	NA	NA
+MJ096313	Isoxuxuarine A?; 7,8-Dihydro 	C56H72O7	856.527804	NA	MeJP	NA	NA
+MJ096314	Xuxuarine B?; 22,22'-Dideoxy, 3,4-diepimer, 7',8'?-dihydro 	C56H72O7	856.527804	NA	MeJP	NA	NA
+MJ096315	Xuxuarine B?; 22,22'-Dideoxy, 7',8'-dihydro 	C56H72O7	856.527804	NA	MeJP	NA	NA
+PJ055529	AVKKKHF 	C41H68N12O8	856.5283	NA	PeJP	NA	NA
+PJ055530	AALLKRW 	C41H68N12O8	856.5284	NA	PeJP	NA	NA
+PJ055531	PVVKKMR 	C38H72N12O8S	856.5317	NA	PeJP	NA	NA
+PJ055532	LKERRR 	C35H68N16O9	856.5356	NA	PeJP	NA	NA
+PJ055533	TLLLLER 	C39H72N10O11	856.5382	NA	PeJP	NA	NA
+PJ055534	GGLLLKKE 	C39H72N10O11	856.5383	NA	PeJP	NA	NA
+PJ055535	VLKRRW 	C40H68N14O7	856.5396	NA	PeJP	NA	NA
+PJ055536	SLLLLLW 	C44H72N8O9	856.5423	NA	PeJP	NA	NA
+PJ055537	AALLLLLM 	C41H76N8O9S	856.5456	NA	PeJP	NA	NA
+PJ055538	TLRRRR 	C34H68N18O8	856.5468	NA	PeJP	NA	NA
+PJ055539	ALLKKER 	C38H72N12O10	856.5495	NA	PeJP	NA	NA
+PJ055540	GLLLKKW 	C43H72N10O8	856.5535	NA	PeJP	NA	NA
+MJ096316	Antibiotic CP 47434 	C46H80O14	856.554807	NA	MeJP	NA	NA
+PJ055541	VLLLLMR 	C40H76N10O8S	856.5569	NA	PeJP	NA	NA
+PJ055542	ATLLKRR 	C37H72N14O9	856.5607	NA	PeJP	NA	NA
+PJ055543	ATTLLLLL 	C41H76N8O11	856.5634	NA	PeJP	NA	NA
+PJ055544	AAKKKRR 	C36H72N16O8	856.5719	NA	PeJP	NA	NA
+PJ055545	VLLKKKE 	C40H76N10O10	856.5746	NA	PeJP	NA	NA
+PJ055546	SLLLKKR 	C39H76N12O9	856.5859	NA	PeJP	NA	NA
+PJ055547	GLKKKKR 	C38H76N14O8	856.5971	NA	PeJP	NA	NA
+PJ055548	VVKKKKK 	C40H80N12O8	856.6222	NA	PeJP	NA	NA
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	856.64349	http://www.hmdb.ca/metabolites/HMDB02728	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	856.64349	http://www.hmdb.ca/metabolites/HMDB02728	HMDB	NA	NA
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	856.64349	NA  ;SYN:pentosidineH2Blood; Cerebrospinal Fluid	Inhouse_peptide	NA	peptide
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	856.64349	http://www.hmdb.ca/metabolites/HMDB02728	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	856.64349	HMDB02728	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02728	Thyroxine sulfate	C15H11I4NO7S	856.643494	NA	HMDB2010	NA	NA
+MJ096317	20(29)-Lupene-3,28-diol, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 28-O-hexadecanoyl 	C56H88O6	856.65809	NA	MeJP	NA	NA
+MJ096318	2-Amino-17-methyl-1,3,4-octadecanetriol, N-Docosanoyl, 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C49H96N2O9	856.711582	NA	MeJP	NA	NA
+HMDB05384	TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C55H100O6	856.75201	http://www.hmdb.ca/metabolites/HMDB05384	HMDB	NA	NA
+HMDB05425	TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6]	C55H100O6	856.75201	http://www.hmdb.ca/metabolites/HMDB05425	HMDB	NA	NA
+HMDB05434	TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3]	C55H100O6	856.75201	http://www.hmdb.ca/metabolites/HMDB05434	HMDB	NA	NA
+HMDB05438	TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3]	C55H100O6	856.75201	http://www.hmdb.ca/metabolites/HMDB05438	HMDB	NA	NA
+HMDB05384	TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C55H100O6	856.75201	HMDB05384	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05425	TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6]	C55H100O6	856.75201	HMDB05425	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05434	TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3]	C55H100O6	856.75201	HMDB05434	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05438	TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3]	C55H100O6	856.75201	HMDB05438	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05384	TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB05425	TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB05434	TG(16:1(9Z)/16:1(9Z)/20:1(11Z))[iso3]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB05438	TG(16:1(9Z)/18:1(9Z)/18:1(9Z))[iso3]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB10432	TG(18:0/16:0/18:3(9Z,12Z,15Z))[iso6]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB10439	TG(18:1(11Z)/16:0/18:2(9Z,12Z))[iso3]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB10442	TG(18:1(11Z)/16:1(9Z)/18:1(11Z))[iso3]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+HMDB10443	TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6]	C55H100O6	856.752014	NA	HMDB2010	NA	NA
+3228	bovine lactoferrin fr,79-93	AGIYGTKESPQTHYY	856.891	MH2+	Inhouse_peptide	NA	peptide
+PJ055549	GCCCNDDE 	C28H43N9O16S3	857.199	NA	PeJP	NA	NA
+FL7AAAGL0037	Palargonidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)	C40H41O21	857.21403	168647-45-8	knapsack	NA	NA
+PJ055550	CCCNDDW 	C32H43N9O13S3	857.2143	NA	PeJP	NA	NA
+PJ055551	SSCCNDDD 	C28H43N9O18S2	857.2168	NA	PeJP	NA	NA
+PJ055552	SPCCCCNE 	C29H47N9O13S4	857.2177	NA	PeJP	NA	NA
+PJ055553	CCCMMMH 	C30H51N9O8S6	857.2185	NA	PeJP	NA	NA
+PJ055554	TCCCCYY 	C34H47N7O11S4	857.2217	NA	PeJP	NA	NA
+PJ055555	CDDDEMM 	C30H47N7O16S3	857.2242	NA	PeJP	NA	NA
+PJ055556	GCCCNNNM 	C28H47N11O12S4	857.2289	NA	PeJP	NA	NA
+PJ055557	GSPCCCCW 	C33H47N9O10S4	857.2329	NA	PeJP	NA	NA
+PJ055558	GSCCNDEM 	C29H47N9O15S3	857.2354	NA	PeJP	NA	NA
+PJ055559	GPCCCNMM 	C30H51N9O10S5	857.2363	NA	PeJP	NA	NA
+PJ055560	CDDDDEF 	C33H43N7O18S	857.2386	NA	PeJP	NA	NA
+PJ055561	CCDDEHH 	C31H43N11O14S2	857.2433	NA	PeJP	NA	NA
+PJ055562	SSCCCNNQ 	C28H47N11O14S3	857.2466	NA	PeJP	NA	NA
+PJ055563	GSCCCDDR 	C28H47N11O14S3	857.2467	NA	PeJP	NA	NA
+PJ055564	APCCCCCR 	C29H51N11O9S5	857.2475	NA	PeJP	NA	NA
+PJ055565	CNNDDDY 	C32H43N9O17S	857.2498	NA	PeJP	NA	NA
+PJ055566	SCCNDMW 	C33H47N9O12S3	857.2507	NA	PeJP	NA	NA
+PJ055567	SSSCNDDM 	C29H47N9O17S2	857.2532	NA	PeJP	NA	NA
+PJ055568	CNNDMMM 	C30H51N9O12S4	857.254	NA	PeJP	NA	NA
+PJ055569	GGGACCEMM 	C30H51N9O12S4	857.2541	NA	PeJP	NA	NA
+PJ055570	GCCCFYY 	C38H47N7O10S3	857.2547	NA	PeJP	NA	NA
+PJ055571	SDDDDEY 	C33H43N7O20	857.2563	NA	PeJP	NA	NA
+PJ055572	PCDDDMY 	C34H47N7O15S2	857.2572	NA	PeJP	NA	NA
+PJ055573	SDDEMMM 	C31H51N7O15S3	857.2606	NA	PeJP	NA	NA
+PJ055574	PCDMMMM 	C32H55N7O10S5	857.2614	NA	PeJP	NA	NA
+PJ055575	GSSSSCCNN 	C28H47N11O16S2	857.2644	NA	PeJP	NA	NA
+PJ055576	CCCNEMR 	C29H51N11O11S4	857.2653	NA	PeJP	NA	NA
+PJ055577	GTCCCWW 	C37H47N9O9S3	857.2659	NA	PeJP	NA	NA
+PJ055578	GSSSCCEW 	C33H47N9O14S2	857.2684	NA	PeJP	NA	NA
+PJ055579	GCCQMMW 	C34H51N9O9S4	857.2693	NA	PeJP	NA	NA
+PJ055580	GSSSSSCDE 	C29H47N9O19S	857.2709	NA	PeJP	NA	NA
+PJ055581	GSSCNEMM 	C30H51N9O14S3	857.2718	NA	PeJP	NA	NA
+PJ055582	GSCCYYY 	C38H47N7O12S2	857.2724	NA	PeJP	NA	NA
+PJ055583	APCCCCKM 	C31H55N9O9S5	857.2727	NA	PeJP	NA	NA
+PJ055584	CCNNMHH 	C31H47N13O10S3	857.2731	NA	PeJP	NA	NA
+PJ055585	GGGGCCMHH 	C31H47N13O10S3	857.2732	NA	PeJP	NA	NA
+MJ096319	Perdeacyleuojaponin; 14-(3-Furancarbonyl), 1,2,6,8,9-penta-Ac 	C41H47NO19	857.274228	NA	MeJP	NA	NA
+MJ096320	Perdeacyleuojaponin; 2-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac 	C41H47NO19	857.274228	NA	MeJP	NA	NA
+MJ096321	Perdeacyleuojaponin; 6-(3-Furancarbonyl), 1,2,8,9,14-penta-Ac 	C41H47NO19	857.274228	NA	MeJP	NA	NA
+MJ096322	Perdeacylhypoglaunine; 23-Deoxy, 14-(2-furancarbonyl), 1,2,6,8,9-penta-Ac 	C41H47NO19	857.274228	NA	MeJP	NA	NA
+MJ096323	Perdeacylwilforine; 2-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac 	C41H47NO19	857.274228	NA	MeJP	NA	NA
+PJ055586	ACDEEEY 	C34H47N7O17S	857.2749	NA	PeJP	NA	NA
+PJ055587	GDDEEMY 	C34H47N7O17S	857.275	NA	PeJP	NA	NA
+PJ055588	PCDDMMF 	C35H51N7O12S3	857.2758	NA	PeJP	NA	NA
+PJ055589	CCCCDRR 	C28H51N13O10S4	857.2765	NA	PeJP	NA	NA
+PJ055590	NNDDDEH 	C31H43N11O18	857.2788	NA	PeJP	NA	NA
+PJ055591	GEEMMMM 	C32H55N7O12S4	857.2792	NA	PeJP	NA	NA
+PJ055592	CCNNNQY 	C32H47N11O13S2	857.2796	NA	PeJP	NA	NA
+PJ055593	GGCCNNQY 	C32H47N11O13S2	857.2797	NA	PeJP	NA	NA
+PJ055594	GCCCMRW 	C33H51N11O8S4	857.2805	NA	PeJP	NA	NA
+PJ055595	GSSCCDMR 	C29H51N11O13S3	857.283	NA	PeJP	NA	NA
+PJ055596	SSSCCWW 	C37H47N9O11S2	857.2837	NA	PeJP	NA	NA
+PJ055597	SSSSSCDW 	C33H47N9O16S	857.2862	NA	PeJP	NA	NA
+PJ055598	SSCNMMW 	C34H51N9O11S3	857.287	NA	PeJP	NA	NA
+PJ055599	GGSSCMMW 	C34H51N9O11S3	857.2871	NA	PeJP	NA	NA
+PJ055600	SSSSSSSDD 	C29H47N9O21	857.2887	NA	PeJP	NA	NA
+PJ055601	SSSSNDMM 	C30H51N9O16S2	857.2895	NA	PeJP	NA	NA
+PJ055602	GGSSSSDMM 	C30H51N9O16S2	857.2896	NA	PeJP	NA	NA
+PJ055603	DDEMYW 	C38H47N7O14S	857.2902	NA	PeJP	NA	NA
+PJ055604	SNNMMMM 	C31H55N9O11S4	857.2904	NA	PeJP	NA	NA
+PJ055605	GSSCCQHH 	C31H47N13O12S2	857.2909	NA	PeJP	NA	NA
+PJ055606	SSDEEEY 	C34H47N7O19	857.2927	NA	PeJP	NA	NA
+PJ055607	SPDDMMY 	C35H51N7O14S2	857.2936	NA	PeJP	NA	NA
+PJ055608	GNDDDHW 	C35H43N11O15	857.2941	NA	PeJP	NA	NA
+PJ055609	EMMMMW 	C36H55N7O9S4	857.2944	NA	PeJP	NA	NA
+PJ055610	PCCDHHF 	C36H47N11O10S2	857.2949	NA	PeJP	NA	NA
+PJ055611	STEEMMM 	C32H55N7O14S3	857.2969	NA	PeJP	NA	NA
+PJ055612	GSSCNNNY 	C32H47N11O15S	857.2974	NA	PeJP	NA	NA
+PJ055613	SPMMMMM 	C33H59N7O9S5	857.2978	NA	PeJP	NA	NA
+PJ055614	STCCCRW 	C33H51N11O10S3	857.2983	NA	PeJP	NA	NA
+PJ055615	CCNFWW 	C41H47N9O8S2	857.2989	NA	PeJP	NA	NA
+PJ055616	SSSSCCER 	C29H51N11O15S2	857.3008	NA	PeJP	NA	NA
+PJ055617	GSCNEYW 	C37H47N9O13S	857.3014	NA	PeJP	NA	NA
+PJ055618	SCCQMMR 	C30H55N11O10S4	857.3016	NA	PeJP	NA	NA
+PJ055619	GGTCCMMR 	C30H55N11O10S4	857.3017	NA	PeJP	NA	NA
+PJ055620	ACCMHFF 	C38H51N9O8S3	857.3023	NA	PeJP	NA	NA
+PJ055621	GSSSNDEY 	C33H47N9O18	857.3039	NA	PeJP	NA	NA
+PJ055622	VDDDEEH 	C33H47N9O18	857.304	NA	PeJP	NA	NA
+PJ055623	GSSSTCMW 	C34H51N9O13S2	857.3048	NA	PeJP	NA	NA
+PJ055624	GCCKMMW 	C35H55N9O8S4	857.3057	NA	PeJP	NA	NA
+PJ055625	GSSSSSSEM 	C30H51N9O18S	857.3073	NA	PeJP	NA	NA
+MetaCyc04199	curcumin 4'-O-&beta;-D-gentiobiosyl 4''-O-&beta;-D-glucoside []	C39H53O21	857.307934	NA	metacyc	NA	NA
+PJ055626	GPDDEYY 	C38H47N7O16	857.308	NA	PeJP	NA	NA
+PJ055627	GSSSQMMM 	C31H55N9O13S3	857.3082	NA	PeJP	NA	NA
+PJ055628	SSSSCNHH 	C31H47N13O14S	857.3086	NA	PeJP	NA	NA
+PJ055629	GGSSSSCHH 	C31H47N13O14S	857.3087	NA	PeJP	NA	NA
+PJ055630	DEMMFW 	C39H51N7O11S2	857.3088	NA	PeJP	NA	NA
+PJ055631	CCCQKHH 	C32H51N13O9S3	857.3095	NA	PeJP	NA	NA
+PJ055632	GTEEEMY 	C35H51N7O16S	857.3113	NA	PeJP	NA	NA
+PJ055633	GPEMMMY 	C36H55N7O11S3	857.3122	NA	PeJP	NA	NA
+PJ055634	SPCNDHW 	C36H47N11O12S	857.3127	NA	PeJP	NA	NA
+PJ055635	SCCCMRR 	C29H55N13O9S4	857.3129	NA	PeJP	NA	NA
+PJ055636	SNNEEEH 	C32H47N11O17	857.3152	NA	PeJP	NA	NA
+PJ055637	SVEMMMM 	C33H59N7O11S4	857.3156	NA	PeJP	NA	NA
+PJ055638	GCNDMRY 	C33H51N11O12S2	857.316	NA	PeJP	NA	NA
+PJ055639	GGGCDMRY 	C33H51N11O12S2	857.3161	NA	PeJP	NA	NA
+PJ055640	SCNYWW 	C41H47N9O10S	857.3167	NA	PeJP	NA	NA
+PJ055641	GCMHHHH 	C34H47N15O8S2	857.3174	NA	PeJP	NA	NA
+PJ055642	SSSNDYW 	C37H47N9O15	857.3192	NA	PeJP	NA	NA
+PJ055643	GSSSCMMR 	C30H55N11O12S3	857.3194	NA	PeJP	NA	NA
+PJ055644	NNMMYW 	C38H51N9O10S2	857.3201	NA	PeJP	NA	NA
+PJ055645	SSSSSSMW 	C34H51N9O15S	857.3226	NA	PeJP	NA	NA
+PJ055646	PDDYYW 	C42H47N7O13	857.3232	NA	PeJP	NA	NA
+PJ055647	STCCKMW 	C35H55N9O10S3	857.3234	NA	PeJP	NA	NA
+PJ055648	GGGGAMMMF 	C35H55N9O10S3	857.3235	NA	PeJP	NA	NA
+PJ055649	GCNNQHW 	C35H47N13O11S	857.3239	NA	PeJP	NA	NA
+PJ055650	SSSSSSSTE 	C30H51N9O20	857.325	NA	PeJP	NA	NA
+PJ055651	SSSSSSTTD 	C30H51N9O20	857.3251	NA	PeJP	NA	NA
+PJ055652	SSSSTQMM 	C31H55N9O15S2	857.3259	NA	PeJP	NA	NA
+PJ055653	SNDDDHR 	C31H47N13O16	857.3264	NA	PeJP	NA	NA
+PJ055654	GGGGGGGGGGGPD 	C31H47N13O16	857.3265	NA	PeJP	NA	NA
+PJ055655	TEEMYW 	C39H51N7O13S	857.3266	NA	PeJP	NA	NA
+PJ055656	SCQKMMM 	C32H59N9O10S4	857.3268	NA	PeJP	NA	NA
+PJ055657	PCCNEHR 	C32H51N13O11S2	857.3273	NA	PeJP	NA	NA
+PJ055658	PMMMYW 	C40H55N7O8S3	857.3275	NA	PeJP	NA	NA
+PJ055659	CEHHFW 	C40H47N11O9S	857.3279	NA	PeJP	NA	NA
+PJ055660	STTEEEY 	C35H51N7O18	857.3291	NA	PeJP	NA	NA
+PJ055661	GVEEMMY 	C36H55N7O13S2	857.33	NA	PeJP	NA	NA
+PJ055662	GSNEEHW 	C36H47N11O14	857.3304	NA	PeJP	NA	NA
+PJ055663	GGGGGGGGGYY 	C36H47N11O14	857.3305	NA	PeJP	NA	NA
+PJ055664	APMMMMF 	C37H59N7O8S4	857.3308	NA	PeJP	NA	NA
+PJ055665	CCQRYW 	C37H51N11O9S2	857.3313	NA	PeJP	NA	NA
+PJ055666	SSCNERY 	C33H51N11O14S	857.3338	NA	PeJP	NA	NA
+PJ055667	ALMMMMM 	C34H63N7O8S5	857.3342	NA	PeJP	NA	NA
+PJ055668	NNDFYW 	C41H47N9O12	857.3344	NA	PeJP	NA	NA
+PJ055669	GGNDFYW 	C41H47N9O12	857.3345	NA	PeJP	NA	NA
+PJ055670	GCNMMFR 	C34H55N11O9S3	857.3347	NA	PeJP	NA	NA
+PJ055671	STCHHHH 	C34H47N15O10S	857.3351	NA	PeJP	NA	NA
+PJ055672	GGPCNHHH 	C34H47N15O10S	857.3352	NA	PeJP	NA	NA
+PJ055673	SSSSTCMR 	C30H55N11O14S2	857.3372	NA	PeJP	NA	NA
+PJ055674	GSSQMYW 	C38H51N9O12S	857.3378	NA	PeJP	NA	NA
+PJ055675	SCCKMMR 	C31H59N11O9S4	857.338	NA	PeJP	NA	NA
+PJ055676	GSSSTQEY 	C34H51N9O17	857.3403	NA	PeJP	NA	NA
+PJ055677	EEMMRY 	C35H55N9O12S2	857.3412	NA	PeJP	NA	NA
+PJ055678	SSNNNHW 	C35H47N13O13	857.3417	NA	PeJP	NA	NA
+PJ055679	PDMFYW 	C43H51N7O10S	857.3418	NA	PeJP	NA	NA
+PJ055680	GPCCHRW 	C36H51N13O8S2	857.3425	NA	PeJP	NA	NA
+PJ055681	GSSSSTTTM 	C31H55N9O17S	857.3437	NA	PeJP	NA	NA
+PJ055682	GPTEEYY 	C39H51N7O15	857.3443	NA	PeJP	NA	NA
+PJ055683	GVDEEFY 	C39H51N7O15	857.3444	NA	PeJP	NA	NA
+PJ055684	GSSSKMMM 	C32H59N9O12S3	857.3446	NA	PeJP	NA	NA
+PJ055685	GNDEMHR 	C32H51N13O13S	857.345	NA	PeJP	NA	NA
+PJ055686	GGGDEMHR 	C32H51N13O13S	857.3451	NA	PeJP	NA	NA
+PJ055687	VEMMYW 	C40H55N7O10S2	857.3452	NA	PeJP	NA	NA
+PJ055688	SNEHWW 	C40H47N11O11	857.3457	NA	PeJP	NA	NA
+PJ055689	ACCCFRR 	C33H55N13O8S3	857.3459	NA	PeJP	NA	NA
+PJ055690	SSLEEMY 	C36H55N7O15S	857.3477	NA	PeJP	NA	NA
+PJ055691	SPVMMMY 	C37H59N7O10S3	857.3486	NA	PeJP	NA	NA
+PJ055692	GSSCRYW 	C37H51N11O11S	857.3491	NA	PeJP	NA	NA
+PJ055693	SSPPNNNE 	C33H51N11O16	857.3515	NA	PeJP	NA	NA
+PJ055694	GSSSSDRY 	C33H51N11O16	857.3516	NA	PeJP	NA	NA
+PJ055695	TTLMMMM 	C34H63N7O10S4	857.352	NA	PeJP	NA	NA
+PJ055696	GSNMMRY 	C34H55N11O11S2	857.3524	NA	PeJP	NA	NA
+PJ055697	GNQEHHH 	C34H47N15O12	857.3529	NA	PeJP	NA	NA
+PJ055698	NNMFFW 	C42H51N9O9S	857.3531	NA	PeJP	NA	NA
+PJ055699	SSSTQYW 	C38H51N9O14	857.3556	NA	PeJP	NA	NA
+PJ055700	GCDDHRR 	C31H51N15O12S	857.3563	NA	PeJP	NA	NA
+PJ055701	CQKMYW 	C39H55N9O9S2	857.3564	NA	PeJP	NA	NA
+PJ055702	GACKMYW 	C39H55N9O9S2	857.3565	NA	PeJP	NA	NA
+PJ055703	SSNKEMY 	C35H55N9O14S	857.3589	NA	PeJP	NA	NA
+PJ055704	GGSSKEMY 	C35H55N9O14S	857.359	NA	PeJP	NA	NA
+PJ055705	PTEYYW 	C43H51N7O12	857.3596	NA	PeJP	NA	NA
+PJ055706	GNKMMMF 	C36H59N9O9S3	857.3598	NA	PeJP	NA	NA
+PJ055707	NDMHRW 	C36H51N13O10S	857.3603	NA	PeJP	NA	NA
+PJ055708	PMMFFW 	C44H55N7O7S2	857.3605	NA	PeJP	NA	NA
+PJ055709	GSHWWW 	C44H47N11O8	857.3609	NA	PeJP	NA	NA
+PJ055710	SSSSSTTTT 	C31H55N9O19	857.3614	NA	PeJP	NA	NA
+PJ055711	SSSSTKMM 	C32H59N9O14S2	857.3623	NA	PeJP	NA	NA
+PJ055712	SSNEEHR 	C32H51N13O15	857.3628	NA	PeJP	NA	NA
+2801	peptide T	ASTTTNYT	857.3629	NA	Inhouse_peptide	NA	peptide
+PJ055713	GPVEMYY 	C40H55N7O12S	857.363	NA	PeJP	NA	NA
+PJ055714	SCKKMMM 	C33H63N9O9S4	857.3632	NA	PeJP	NA	NA
+MJ096324	Foetidine I; 9-Methoxy 	C48H51N5O10	857.363592	NA	MeJP	NA	NA
+PJ055715	GTCCRRY 	C33H55N13O10S2	857.3637	NA	PeJP	NA	NA
+PJ055716	LMMMFW 	C41H59N7O7S3	857.3638	NA	PeJP	NA	NA
+PJ055717	AQMHWW 	C41H51N11O8S	857.3643	NA	PeJP	NA	NA
+PJ055718	ATLEMMY 	C37H59N7O12S2	857.3663	NA	PeJP	NA	NA
+PJ055719	GSDKEHW 	C37H51N11O13	857.3668	NA	PeJP	NA	NA
+PJ055720	CCKRYW 	C38H55N11O8S2	857.3677	NA	PeJP	NA	NA
+PJ055721	NQHHHW 	C38H47N15O9	857.3682	NA	PeJP	NA	NA
+PJ055722	SSSQMRY 	C34H55N11O13S	857.3702	NA	PeJP	NA	NA
+PJ055723	GSPPEWW 	C42H51N9O11	857.3708	NA	PeJP	NA	NA
+PJ055724	GGGGGPFFY 	C42H51N9O11	857.3709	NA	PeJP	NA	NA
+PJ055725	ACCKMFR 	C35H59N11O8S3	857.3711	NA	PeJP	NA	NA
+PJ055726	GSSSNNHR 	C31H51N15O14	857.374	NA	PeJP	NA	NA
+PJ055727	GSSKMYW 	C39H55N9O11S	857.3742	NA	PeJP	NA	NA
+PJ055728	PDFFFW 	C47H51N7O9	857.3749	NA	PeJP	NA	NA
+PJ055729	ACHRWW 	C40H51N13O7S	857.3756	NA	PeJP	NA	NA
+MJ096325	Peptide T 	C35H55N9O16	857.376676	NA	MeJP	NA	NA
+PJ055730	GSSSTKEY 	C35H55N9O16	857.3767	NA	PeJP	NA	NA
+PJ055731	GTQKMMY 	C36H59N9O11S2	857.3776	NA	PeJP	NA	NA
+PJ055732	GNQQQHF 	C36H51N13O12	857.378	NA	PeJP	NA	NA
+PJ055733	GSSEHRW 	C36H51N13O12	857.3781	NA	PeJP	NA	NA
+PJ055734	PVMYYW 	C44H55N7O9S	857.3782	NA	PeJP	NA	NA
+PJ055735	MMHHFR 	C37H55N13O7S2	857.3789	NA	PeJP	NA	NA
+PJ055736	GPHHHHH 	C37H47N17O8	857.3794	NA	PeJP	NA	NA
+PJ055737	AALEEYY 	C40H55N7O14	857.3807	NA	PeJP	NA	NA
+PJ055738	SSSCRRY 	C33H55N13O12S	857.3814	NA	PeJP	NA	NA
+PJ055739	GPLMMFY 	C41H59N7O9S2	857.3816	NA	PeJP	NA	NA
+PJ055740	SDKHWW 	C41H51N11O10	857.3821	NA	PeJP	NA	NA
+PJ055741	TTTLEMY 	C37H59N7O14S	857.3841	NA	PeJP	NA	NA
+PJ055742	GLLMMMY 	C38H63N7O9S3	857.385	NA	PeJP	NA	NA
+PJ055743	APPCERW 	C38H55N11O10S	857.3854	NA	PeJP	NA	NA
+PJ055744	GPPDMRW 	C38H55N11O10S	857.3855	NA	PeJP	NA	NA
+PJ055745	SPPWWW 	C46H51N9O8	857.3861	NA	PeJP	NA	NA
+PJ055746	GSSSTTRY 	C34H55N11O15	857.3879	NA	PeJP	NA	NA
+PJ055747	APQEEER 	C34H55N11O15	857.388	NA	PeJP	NA	NA
+PJ055748	GTCKMRY 	C35H59N11O10S2	857.3888	NA	PeJP	NA	NA
+PJ055749	GNNNHFR 	C35H51N15O11	857.3893	NA	PeJP	NA	NA
+PJ055750	AAPPMWW 	C43H55N9O8S	857.3895	NA	PeJP	NA	NA
+PJ055751	SSSTKYW 	C39H55N9O13	857.392	NA	PeJP	NA	NA
+PJ055752	SCNNKHR 	C32H55N15O11S	857.3926	NA	PeJP	NA	NA
+PJ055753	GSDMHRR 	C32H55N15O11S	857.3927	NA	PeJP	NA	NA
+PJ055754	CKKMYW 	C40H59N9O8S2	857.3928	NA	PeJP	NA	NA
+PJ055755	SSHRWW 	C40H51N13O9	857.3933	NA	PeJP	NA	NA
+PJ055756	SSDKKMY 	C36H59N9O13S	857.3953	NA	PeJP	NA	NA
+PJ055757	GAPPKEEM 	C36H59N9O13S	857.3954	NA	PeJP	NA	NA
+PJ055758	VVEYYW 	C44H55N7O11	857.396	NA	PeJP	NA	NA
+PJ055759	ACKKMMF 	C37H63N9O8S3	857.3962	NA	PeJP	NA	NA
+PJ055760	TQMHRW 	C37H55N13O9S	857.3967	NA	PeJP	NA	NA
+PJ055761	GPDEERR 	C33H55N13O14	857.3992	NA	PeJP	NA	NA
+PJ055762	APTLMYY 	C41H59N7O11S	857.3994	NA	PeJP	NA	NA
+PJ055763	SPCKMHR 	C34H59N13O9S2	857.4	NA	PeJP	NA	NA
+PJ055764	GVQMMHR 	C34H59N13O9S2	857.4001	NA	PeJP	NA	NA
+PJ055765	GSQHHHR 	C34H51N17O10	857.4005	NA	PeJP	NA	NA
+PJ055766	AKMHWW 	C42H55N11O7S	857.4007	NA	PeJP	NA	NA
+PJ055767	PLLEEEE 	C37H59N7O16	857.4019	NA	PeJP	NA	NA
+PJ055768	STLLMMY 	C38H63N7O11S2	857.4027	NA	PeJP	NA	NA
+PJ055769	AAPEERW 	C38H55N11O12	857.4032	NA	PeJP	NA	NA
+PJ055770	NKHHHW 	C39H51N15O8	857.4045	NA	PeJP	NA	NA
+PJ055771	GGKHHHW 	C39H51N15O8	857.4046	NA	PeJP	NA	NA
+PJ055772	SSSKMRY 	C35H59N11O12S	857.4066	NA	PeJP	NA	NA
+PJ055773	PLQEWW 	C43H55N9O10	857.4072	NA	PeJP	NA	NA
+PJ055774	TCHRRW 	C36H55N15O8S	857.4079	NA	PeJP	NA	NA
+PJ055775	SSSEHRR 	C32H55N15O13	857.4104	NA	PeJP	NA	NA
+PJ055776	GGGGGGGGGGLR 	C32H55N15O13	857.4105	NA	PeJP	NA	NA
+PJ055777	APPKEMW 	C40H59N9O10S	857.4106	NA	PeJP	NA	NA
+PJ055778	PVFFYW 	C48H55N7O8	857.4112	NA	PeJP	NA	NA
+PJ055779	QMMHRR 	C33H59N15O8S2	857.4113	NA	PeJP	NA	NA
+PJ055780	SSSSSLKY 	C36H59N9O15	857.4131	NA	PeJP	NA	NA
+PJ055781	GTKKMMY 	C37H63N9O10S2	857.414	NA	PeJP	NA	NA
+PJ055782	PDERRW 	C37H55N13O11	857.4144	NA	PeJP	NA	NA
+PJ055783	GGGGAPTRW 	C37H55N13O11	857.4145	NA	PeJP	NA	NA
+PJ055784	VLMFYW 	C45H59N7O8S	857.4146	NA	PeJP	NA	NA
+PJ055785	GTLLEYY 	C41H59N7O13	857.4171	NA	PeJP	NA	NA
+PJ055786	SPPDMRR 	C34H59N13O11S	857.4178	NA	PeJP	NA	NA
+PJ055787	GLLMMFF 	C42H63N7O8S2	857.418	NA	PeJP	NA	NA
+PJ055788	PVDRWW 	C42H55N11O9	857.4185	NA	PeJP	NA	NA
+PJ055789	GNNNQRR 	C31H55N17O12	857.4216	NA	PeJP	NA	NA
+PJ055790	GGGNNQRR 	C31H55N17O12	857.4217	NA	PeJP	NA	NA
+PJ055791	APPTMRW 	C39H59N11O9S	857.4218	NA	PeJP	NA	NA
+PJ055792	APLWWW 	C47H55N9O7	857.4225	NA	PeJP	NA	NA
+PJ055793	APKEEER 	C35H59N11O14	857.4243	NA	PeJP	NA	NA
+PJ055794	GGGGPKKEE 	C35H59N11O14	857.4244	NA	PeJP	NA	NA
+PJ055795	PPVQMMR 	C36H63N11O9S2	857.4252	NA	PeJP	NA	NA
+PJ055796	NEHFRR 	C36H55N15O10	857.4257	NA	PeJP	NA	NA
+PJ055797	CKKFFW 	C44H59N9O7S	857.4259	NA	PeJP	NA	NA
+PJ055798	QKKEYY 	C40H59N9O12	857.4283	NA	PeJP	NA	NA
+PJ055799	GPLKEEW 	C40H59N9O12	857.4284	NA	PeJP	NA	NA
+PJ055800	GTTMHRR 	C33H59N15O10S	857.429	NA	PeJP	NA	NA
+PJ055801	GGGPQMRR 	C33H59N15O10S	857.4291	NA	PeJP	NA	NA
+PJ055802	VNHFRW 	C41H55N13O8	857.4297	NA	PeJP	NA	NA
+PJ055803	STTKKMY 	C37H63N9O12S	857.4317	NA	PeJP	NA	NA
+MJ096326	Oscillamide Y 	C45H59N7O10	857.432341	NA	MeJP	NA	NA
+PJ055804	TLLYYW 	C45H59N7O10	857.4324	NA	PeJP	NA	NA
+PJ055805	TKMHRW 	C38H59N13O8S	857.4331	NA	PeJP	NA	NA
+PJ055806	APTEERR 	C34H59N13O13	857.4356	NA	PeJP	NA	NA
+PJ055807	GVLLMYY 	C42H63N7O10S	857.4357	NA	PeJP	NA	NA
+PJ055808	APPMMRR 	C35H63N13O8S2	857.4364	NA	PeJP	NA	NA
+PJ055809	GSKHHHR 	C35H55N17O9	857.4369	NA	PeJP	NA	NA
+PJ055810	GPTLERW 	C39H59N11O11	857.4396	NA	PeJP	NA	NA
+PJ055811	GPCNRRR 	C32H59N17O9S	857.4403	NA	PeJP	NA	NA
+MJ096327	Carbomycin; 14?-Hydroxy 	C42H67NO17	857.440899	NA	MeJP	NA	NA
+MJ096328	Onomycin II 	C42H67NO17	857.440899	NA	MeJP	NA	NA
+PJ055812	GHFRRW 	C40H55N15O7	857.4409	NA	PeJP	NA	NA
+PJ055813	PPTKEMR 	C36H63N11O11S	857.443	NA	PeJP	NA	NA
+PJ055814	PLKEWW 	C44H59N9O9	857.4436	NA	PeJP	NA	NA
+PJ055815	STTTHRR 	C33H59N15O12	857.4468	NA	PeJP	NA	NA
+PJ055816	SPPLKMW 	C41H63N9O9S	857.447	NA	PeJP	NA	NA
+PJ055817	VLFFFW 	C49H59N7O7	857.4476	NA	PeJP	NA	NA
+PJ055818	KMMHRR 	C34H63N15O7S2	857.4477	NA	PeJP	NA	NA
+PJ055819	PVKKEEE 	C37H63N9O14	857.4495	NA	PeJP	NA	NA
+PJ055820	TLLLMMH 	C38H67N9O9S2	857.4504	NA	PeJP	NA	NA
+PJ055821	GSPQKRW 	C38H59N13O10	857.4508	NA	PeJP	NA	NA
+PJ055822	SSLLLYY 	C42H63N7O12	857.4535	NA	PeJP	NA	NA
+PJ055823	GPLEMRR 	C35H63N13O10S	857.4542	NA	PeJP	NA	NA
+PJ055824	PTLRWW 	C43H59N11O8	857.4548	NA	PeJP	NA	NA
+PJ055825	GGPKKWW 	C43H59N11O8	857.4549	NA	PeJP	NA	NA
+PJ055826	NQERRR 	C32H59N17O11	857.458	NA	PeJP	NA	NA
+PJ055827	GGGAERRR 	C32H59N17O11	857.4581	NA	PeJP	NA	NA
+PJ055828	GPVLMRW 	C40H63N11O8S	857.4582	NA	PeJP	NA	NA
+PJ055829	SPLKEER 	C36H63N11O13	857.4607	NA	PeJP	NA	NA
+PJ055830	PPVKMMR 	C37H67N11O8S2	857.4616	NA	PeJP	NA	NA
+PJ055831	VNQRRW 	C37H59N15O9	857.4621	NA	PeJP	NA	NA
+PJ055832	SPVLKEW 	C41H63N9O11	857.4647	NA	PeJP	NA	NA
+PJ055833	GGALLLEW 	C41H63N9O11	857.4648	NA	PeJP	NA	NA
+PJ055834	GPNKMRR 	C34H63N15O9S	857.4654	NA	PeJP	NA	NA
+PJ055835	PPFRRW 	C42H59N13O7	857.4661	NA	PeJP	NA	NA
+PJ055836	PLLQKEM 	C38H67N9O11S	857.4681	NA	PeJP	NA	NA
+PJ055837	GVLLFFY 	C46H63N7O9	857.4688	NA	PeJP	NA	NA
+PJ055838	PLMRRW 	C39H63N13O7S	857.4695	NA	PeJP	NA	NA
+PJ055839	SPTLERR 	C35H63N13O12	857.4719	NA	PeJP	NA	NA
+PJ055840	GVLEERR 	C35H63N13O12	857.472	NA	PeJP	NA	NA
+PJ055841	GQRRRW 	C36H59N17O8	857.4733	NA	PeJP	NA	NA
+PJ055842	LLLLEEE 	C39H67N7O14	857.4746	NA	PeJP	NA	NA
+PJ055843	AALLERW 	C40H63N11O10	857.476	NA	PeJP	NA	NA
+MJ096329	Maridomycin I 	C43H71NO16	857.477285	NA	MeJP	NA	NA
+PJ055844	PTLLQMR 	C37H67N11O10S	857.4793	NA	PeJP	NA	NA
+PJ055845	PVVKEMR 	C37H67N11O10S	857.4794	NA	PeJP	NA	NA
+PJ055846	LLLQWW 	C45H63N9O8	857.48	NA	PeJP	NA	NA
+PJ055847	LEERRR 	C34H63N15O11	857.4832	NA	PeJP	NA	NA
+PJ055848	APLLKMW 	C42H67N9O8S	857.4834	NA	PeJP	NA	NA
+PJ055849	PHHRRR 	C35H59N19O7	857.4845	NA	PeJP	NA	NA
+PJ055850	VLLQKEE 	C38H67N9O13	857.4859	NA	PeJP	NA	NA
+PJ055851	VLERRW 	C39H63N13O9	857.4872	NA	PeJP	NA	NA
+PJ055852	SPVLMRR 	C36H67N13O9S	857.4906	NA	PeJP	NA	NA
+PJ055853	VVLRWW 	C44H63N11O7	857.4912	NA	PeJP	NA	NA
+PJ055854	NKERRR 	C33H63N17O10	857.4944	NA	PeJP	NA	NA
+PJ055855	ALLKEER 	C37H67N11O12	857.4971	NA	PeJP	NA	NA
+PJ055856	VNKRRW 	C38H63N15O8	857.4984	NA	PeJP	NA	NA
+PJ055857	GGVKRRW 	C38H63N15O8	857.4985	NA	PeJP	NA	NA
+PJ055858	GLLLKEW 	C42H67N9O10	857.5011	NA	PeJP	NA	NA
+PJ055859	APCKKRR 	C35H67N15O8S	857.5018	NA	PeJP	NA	NA
+PJ055860	PLLKKEM 	C39H71N9O10S	857.5045	NA	PeJP	NA	NA
+PJ055861	SQRRRR 	C32H63N19O9	857.5057	NA	PeJP	NA	NA
+PJ055862	ATLLERR 	C36H67N13O11	857.5083	NA	PeJP	NA	NA
+PJ055863	GGALKKER 	C36H67N13O11	857.5084	NA	PeJP	NA	NA
+PJ055864	GKRRRW 	C37H63N17O7	857.5097	NA	PeJP	NA	NA
+PJ055865	GTLLLRW 	C41H67N11O9	857.5124	NA	PeJP	NA	NA
+PJ055866	PTLLKMR 	C38H71N11O9S	857.5157	NA	PeJP	NA	NA
+PJ055867	LLLKWW 	C46H67N9O7	857.5164	NA	PeJP	NA	NA
+PJ055868	AAKKERR 	C35H67N15O10	857.5196	NA	PeJP	NA	NA
+HMDB12428	PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C48H76NO10P	857.520691	NA	HMDB2010	NA	NA
+HMDB12448	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	C48H76NO10P	857.520691	NA	HMDB2010	NA	NA
+PJ055869	ASTLLLLQ 	C39H71N9O12	857.5222	NA	PeJP	NA	NA
+PJ055870	VLLKKEE 	C39H71N9O12	857.5223	NA	PeJP	NA	NA
+PJ055871	LQKKRW 	C40H67N13O8	857.5236	NA	PeJP	NA	NA
+PJ055872	GLLLMRR 	C37H71N13O8S	857.527	NA	PeJP	NA	NA
+PJ055873	DKKRRR 	C34H67N17O9	857.5308	NA	PeJP	NA	NA
+PJ055874	SLLLKER 	C38H71N11O11	857.5335	NA	PeJP	NA	NA
+PJ055875	SVLLLKW 	C43H71N9O9	857.5375	NA	PeJP	NA	NA
+PJ055876	LLLLQKM 	C40H75N9O9S	857.5409	NA	PeJP	NA	NA
+PJ055877	SKRRRR 	C33H67N19O8	857.542	NA	PeJP	NA	NA
+PJ055878	STLLLRR 	C37H71N13O10	857.5447	NA	PeJP	NA	NA
+PJ055879	AVVKKKW 	C42H71N11O8	857.5487	NA	PeJP	NA	NA
+PJ055880	GVLKKKW 	C42H71N11O8	857.5488	NA	PeJP	NA	NA
+PJ055881	VVLLKMR 	C39H75N11O8S	857.5521	NA	PeJP	NA	NA
+PJ055882	GTLKKRR 	C36H71N15O9	857.556	NA	PeJP	NA	NA
+PJ055883	GTTLLLLK 	C40H75N9O11	857.5586	NA	PeJP	NA	NA
+PJ055884	LKKKRW 	C41H71N13O7	857.56	NA	PeJP	NA	NA
+PJ055885	VVKKKKE 	C39H75N11O10	857.5699	NA	PeJP	NA	NA
+PJ055886	PLLLKKF 	C44H75N9O8	857.5739	NA	PeJP	NA	NA
+PJ055887	LLLLKKM 	C41H79N9O8S	857.5773	NA	PeJP	NA	NA
+PJ055888	SVLKKKR 	C38H75N13O9	857.5811	NA	PeJP	NA	NA
+HMDB08354	PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08385	PC(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08386	PC(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08417	PC(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08418	PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08449	PC(20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08482	PC(20:4(8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08640	PC(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08641	PC(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08671	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08672	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08704	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08705	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+HMDB08736	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	C50H84NO8P	857.593445	NA	HMDB2010	NA	NA
+PJ055889	TLLKKKK 	C40H79N11O9	857.6063	NA	PeJP	NA	NA
+EUR992	PC 38:3 [M+FA-H]-	C46H86NO8P	857.613987	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR992	PC 38:3 [M+FA-H]-	C46H86NO8P	857.613987	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR992	PC 38:3 [M+FA-H]-	C46H86NO8P	857.613987	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR992	PC 38:3 [M+FA-H]-	C46H86NO8P	857.613987	masses lipides attendues	Inhousejuil11	NA	NA
+PJ055890	AKKKKKK 	C39H79N13O8	857.6175	NA	PeJP	NA	NA
+EUR1127	SM(d18:1/24:2) [M+FA-H]-	C47H92N2O6P	857.674181	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1127	SM(d18:1/24:2) [M+FA-H]-	C47H92N2O6P	857.674181	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1127	SM(d18:1/24:2) [M+FA-H]-	C47H92N2O6P	857.674181	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1127	SM(d18:1/24:2) [M+FA-H]-	C47H92N2O6P	857.674181	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09245	PE(20:0/24:1(15Z))	C49H96NO8P	857.687378	NA	HMDB2010	NA	NA
+HMDB09277	PE(20:1(11Z)/24:0)	C49H96NO8P	857.687378	NA	HMDB2010	NA	NA
+HMDB09502	PE(22:0/22:1(13Z))	C49H96NO8P	857.687378	NA	HMDB2010	NA	NA
+HMDB09534	PE(22:1(13Z)/22:0)	C49H96NO8P	857.687378	NA	HMDB2010	NA	NA
+HMDB09725	PE(24:0/20:1(11Z))	C49H96NO8P	857.687378	NA	HMDB2010	NA	NA
+HMDB09757	PE(24:1(15Z)/20:0)	C49H96NO8P	857.687378	NA	HMDB2010	NA	NA
+MJ096330	2-Amino-8-octadecene-1,3,4-triol, N-(2R-Hydroxypentacosanoyl), 1-O-?-D-glucopyranoside 	C49H95NO10	857.695598	NA	MeJP	NA	NA
+HMDB08785	PC(24:0/P-18:0)	C50H100NO7P	857.723755	NA	HMDB2010	NA	NA
+HMDB11263	PC(P-18:0/24:0)	C50H100NO7P	857.723755	NA	HMDB2010	NA	NA
+HMDB13434	PC(o-18:1(9Z)/24:0)	C50H100NO7P	857.723755	NA	HMDB2010	NA	NA
+HMDB13447	PC(o-22:0/20:1(11Z))	C50H100NO7P	857.723755	NA	HMDB2010	NA	NA
+MJ096331	2-Amino-1,3,4-octadecanetriol, N-Hexacosanoyl, 1-O-?-D-glucopyranoside 	C50H99NO9	857.731983	NA	MeJP	NA	NA
+MJ096332	N-[1-[(?-D-Galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]hexacosanamide 	C50H99NO9	857.731983	NA	MeJP	NA	NA
+MJ096333	4',5,7-Trihydroxy-3',5'-dimethoxyflavone; 7-O-[?-D-Glucuronopyranosyl-(1??)-?-D-glucuronopyranosyl-(1??)-?-D-glucuronopyranoside] 	C35H38O25	858.170216	NA	MeJP	NA	NA
+PJ055891	GCCCCCMH 	C28H46N10O9S6	858.1774	NA	PeJP	NA	NA
+PJ055892	GCCCDDDE 	C28H42N8O17S3	858.1831	NA	PeJP	NA	NA
+MJ096334	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C39H39O22(+)	858.185472	NA	MeJP	NA	NA
+MJ096335	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-[6-O-malonyl-?-D-glucopyranoside] 	C39H39O22(+)	858.185472	NA	MeJP	NA	NA
+MJ096336	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(6-Malonyl-?-D-glucopyranoside), 3'-O-[3,4-dihydroxycinnamoyl-(?6)-?-D-glucopyranoside] 	C39H39O22(+)	858.185472	NA	MeJP	NA	NA
+PJ055893	STCCCCCH 	C28H46N10O11S5	858.1951	NA	PeJP	NA	NA
+PJ055894	GGPCCCCCN 	C28H46N10O11S5	858.1952	NA	PeJP	NA	NA
+PJ055895	CCCDDDW 	C32H42N8O14S3	858.1983	NA	PeJP	NA	NA
+PJ055896	SSCCDDDD 	C28H42N8O19S2	858.2008	NA	PeJP	NA	NA
+PJ055897	SPCCCCDE 	C29H46N8O14S4	858.2017	NA	PeJP	NA	NA
+PJ055898	PPCCCCCM 	C30H50N8O9S6	858.2025	NA	PeJP	NA	NA
+PJ055899	GCCCNNDM 	C28H46N10O13S4	858.2129	NA	PeJP	NA	NA
+C15817	Heme C	C40H46FeN6O8S2	858.2168	NA	KEGG	NA	NA
+C15818	Soraphen O	C40H46FeN6O8S2	858.2168	NA	KEGG	NA	NA
+PJ055900	GSCCDDEM 	C29H46N8O16S3	858.2194	NA	PeJP	NA	NA
+PJ055901	GPCCCDMM 	C30H50N8O11S5	858.2203	NA	PeJP	NA	NA
+PJ055902	CCCCNQW 	C32H46N10O10S4	858.2282	NA	PeJP	NA	NA
+PJ055903	SSCCCNNE 	C28H46N10O15S3	858.2307	NA	PeJP	NA	NA
+MJ096337	Truxipicurium(2+); Diiodide 	C38H56I2N2O4	858.232945	NA	MeJP	NA	NA
+MJ096338	Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C39H42N2O20	858.233091	NA	MeJP	NA	NA
+MJ096339	Betanidin; 6-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H42N2O20	858.233091	NA	MeJP	NA	NA
+MJ096340	Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-E-cinnamoyl-(?6)]-?-D-glucopyranoside] 	C39H42N2O20	858.233091	NA	MeJP	NA	NA
+PJ055904	CNDDDDY 	C32H42N8O18S	858.2338	NA	PeJP	NA	NA
+PJ055905	SCCDDMW 	C33H46N8O13S3	858.2347	NA	PeJP	NA	NA
+MJ096341	3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(4-Hydroxy-3-methoxybenzoyl), 3-O-?-L-rhamnopyranoside 	C44H42O18	858.237114	NA	MeJP	NA	NA
+PJ055906	SSSCDDDM 	C29H46N8O18S2	858.2372	NA	PeJP	NA	NA
+PJ055907	CNDDMMM 	C30H50N8O13S4	858.2381	NA	PeJP	NA	NA
+PJ055908	GPCCCCHH 	C31H46N12O9S4	858.2394	NA	PeJP	NA	NA
+FLIAAAGS0007	Genistein 7,4'-bis(O-glucosylapioside);Sarothamnoside	C37H46O23	858.24298	78693-95-5	knapsack	NA	NA
+MJ096342	4',5,7-Trihydroxyisoflavone; 4',7-Bis[?-D-glucopyranosyl-(1?5)-?-D-apiofuranoside] 	C37H46O23	858.242987	NA	MeJP	NA	NA
+MJ096343	Trifolin; 2''-O-?-D-Apiofuranosyl, 6''-O-[?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl] 	C37H46O23	858.242987	NA	MeJP	NA	NA
+PJ055909	GSSCCCNW 	C32H46N10O12S3	858.2459	NA	PeJP	NA	NA
+PJ055910	GSSSSCCND 	C28H46N10O17S2	858.2484	NA	PeJP	NA	NA
+PJ055911	CCCDEMR 	C29H50N10O12S4	858.2493	NA	PeJP	NA	NA
+MJ096344	Rivulotririn A 	C48H42O15	858.25237	NA	MeJP	NA	NA
+PJ055912	GSPCCDDY 	C33H46N8O15S2	858.2524	NA	PeJP	NA	NA
+PJ055913	GGCDDDMF 	C33H46N8O15S2	858.2525	NA	PeJP	NA	NA
+PJ055914	GCCEMMW 	C34H50N8O10S4	858.2533	NA	PeJP	NA	NA
+PJ055915	GSSCDEMM 	C30H50N8O15S3	858.2558	NA	PeJP	NA	NA
+PJ055916	GSPCCMMM 	C31H54N8O10S5	858.2567	NA	PeJP	NA	NA
+PJ055917	CCNDMHH 	C31H46N12O11S3	858.2572	NA	PeJP	NA	NA
+PJ055918	GSCCCCQR 	C28H50N12O11S4	858.2605	NA	PeJP	NA	NA
+PJ055919	NDDDDEH 	C31H42N10O19	858.2628	NA	PeJP	NA	NA
+PJ055920	CCNNNEY 	C32H46N10O14S2	858.2637	NA	PeJP	NA	NA
+PJ055921	CCCCNKW 	C33H50N10O9S4	858.2645	NA	PeJP	NA	NA
+PJ055922	GGCCCCKW 	C33H50N10O9S4	858.2646	NA	PeJP	NA	NA
+PJ055923	SSSCCNQM 	C29H50N10O14S3	858.267	NA	PeJP	NA	NA
+PJ055924	GGGGSSTCCM 	C29H50N10O14S3	858.2671	NA	PeJP	NA	NA
+PJ055925	GCCDEFW 	C37H46N8O12S2	858.2677	NA	PeJP	NA	NA
+PJ055926	CCMMWW 	C38H50N8O7S4	858.2686	NA	PeJP	NA	NA
+PJ055927	SNDDDMY 	C33H46N8O17S	858.2702	NA	PeJP	NA	NA
+PJ055928	SSCDMMW 	C34H50N8O12S3	858.2711	NA	PeJP	NA	NA
+PJ055929	ACCCHHW 	C35H46N12O8S3	858.2724	NA	PeJP	NA	NA
+PJ055930	SSSSDDMM 	C30H50N8O17S2	858.2736	NA	PeJP	NA	NA
+PJ055931	SNDMMMM 	C31H54N8O12S4	858.2744	NA	PeJP	NA	NA
+PJ055932	GSSCCEHH 	C31H46N12O13S2	858.2749	NA	PeJP	NA	NA
+PJ055933	GDDDDHW 	C35H42N10O16	858.2781	NA	PeJP	NA	NA
+PJ055934	SSSCCCNR 	C28H50N12O13S3	858.2783	NA	PeJP	NA	NA
+PJ055935	GCCNNYW 	C36H46N10O11S2	858.2789	NA	PeJP	NA	NA
+PJ055936	GSSCNNDY 	C32H46N10O16S	858.2814	NA	PeJP	NA	NA
+PJ055937	PCCCDRY 	C33H50N10O11S3	858.2823	NA	PeJP	NA	NA
+PJ055938	CCDFWW 	C41H46N8O9S2	858.283	NA	PeJP	NA	NA
+PJ055939	GSSSSSCNM 	C29H50N10O16S2	858.2848	NA	PeJP	NA	NA
+PJ055940	SSCDDFW 	C37H46N8O14S	858.2854	NA	PeJP	NA	NA
+PJ055941	GSCDEYW 	C37H46N8O14S	858.2855	NA	PeJP	NA	NA
+PJ055942	SCCEMMR 	C30H54N10O11S4	858.2857	NA	PeJP	NA	NA
+PJ055943	GPCCMYW 	C38H50N8O9S3	858.2863	NA	PeJP	NA	NA
+PJ055944	GSSSDDEY 	C33H46N8O19	858.288	NA	PeJP	NA	NA
+PJ055945	GNDEMMY 	C34H50N8O14S2	858.2888	NA	PeJP	NA	NA
+PJ055946	GTCMMMW 	C35H54N8O9S4	858.2897	NA	PeJP	NA	NA
+PJ055947	SSCCHHW 	C35H46N12O10S2	858.2902	NA	PeJP	NA	NA
+PJ055948	GSSSEMMM 	C31H54N8O14S3	858.2922	NA	PeJP	NA	NA
+PJ055949	SSSSCDHH 	C31H46N12O15S	858.2927	NA	PeJP	NA	NA
+PJ055950	GQMMMMM 	C32H58N8O9S5	858.2931	NA	PeJP	NA	NA
+PJ055951	CCCNNFR 	C32H50N12O10S3	858.2935	NA	PeJP	NA	NA
+PJ055952	GGGGCCCFR 	C32H50N12O10S3	858.2936	NA	PeJP	NA	NA
+PJ055953	SPCDDHW 	C36H46N10O13S	858.2967	NA	PeJP	NA	NA
+PJ055954	GSCCCCKR 	C29H54N12O10S4	858.2969	NA	PeJP	NA	NA
+PJ055955	SNDEEEH 	C32H46N10O18	858.2992	NA	PeJP	NA	NA
+PJ055956	SCNNQMY 	C33H50N10O13S2	858.3	NA	PeJP	NA	NA
+PJ055957	GCDDMRY 	C33H50N10O13S2	858.3001	NA	PeJP	NA	NA
+PJ055958	SCDYWW 	C41H46N8O11S	858.3007	NA	PeJP	NA	NA
+PJ055959	PCCCMFR 	C34H54N10O8S4	858.3009	NA	PeJP	NA	NA
+PJ055960	SSSSSSSCQ 	C29H50N10O18S	858.3025	NA	PeJP	NA	NA
+PJ055961	GGSSSSSSTC 	C29H50N10O18S	858.3026	NA	PeJP	NA	NA
+PJ055962	SSSDDYW 	C37H46N8O16	858.3032	NA	PeJP	NA	NA
+PJ055963	SSSCCNKM 	C30H54N10O13S3	858.3034	NA	PeJP	NA	NA
+PJ055964	GSCNNNNH 	C30H46N14O14S	858.3039	NA	PeJP	NA	NA
+PJ055965	NDMMYW 	C38H50N8O11S2	858.3041	NA	PeJP	NA	NA
+PJ055966	GCMMMMR 	C31H58N10O8S5	858.3043	NA	PeJP	NA	NA
+PJ055967	TCCCHHR 	C31H50N14O9S3	858.3048	NA	PeJP	NA	NA
+PJ055968	SSNEEMY 	C34H50N8O16S	858.3066	NA	PeJP	NA	NA
+PJ055969	SSSMMMW 	C35H54N8O11S3	858.3074	NA	PeJP	NA	NA
+PJ055970	GGPTCMMY 	C35H54N8O11S3	858.3075	NA	PeJP	NA	NA
+PJ055971	GCNNEHW 	C35H46N12O12S	858.3079	NA	PeJP	NA	NA
+MJ096345	11-Hydroxymeliacarpin; 1-Cinnamoyl, 3-(4-hydroxy-3-methoxycinnamoyl) 	C46H50O16	858.309885	NA	MeJP	NA	NA
+PJ055972	SSSSTEMM 	C31H54N8O16S2	858.3099	NA	PeJP	NA	NA
+PJ055973	SDDDDHR 	C31H46N12O17	858.3104	NA	PeJP	NA	NA
+PJ055974	GGGGGGGPNDD 	C31H46N12O17	858.3105	NA	PeJP	NA	NA
+PJ055975	STQMMMM 	C32H58N8O11S4	858.3108	NA	PeJP	NA	NA
+PJ055976	SCCNNRY 	C32H50N12O12S2	858.3113	NA	PeJP	NA	NA
+PJ055977	ASDDEHW 	C36H46N10O15	858.3144	NA	PeJP	NA	NA
+PJ055978	GSDEEHW 	C36H46N10O15	858.3145	NA	PeJP	NA	NA
+PJ055979	CCERYW 	C37H50N10O10S2	858.3153	NA	PeJP	NA	NA
+PJ055980	SSCDERY 	C33H50N10O15S	858.3178	NA	PeJP	NA	NA
+PJ055981	NDDFYW 	C41H46N8O13	858.3185	NA	PeJP	NA	NA
+PJ055982	SPCCMRY 	C34H54N10O10S3	858.3187	NA	PeJP	NA	NA
+PJ055983	PCNDHHH 	C34H46N14O11S	858.3192	NA	PeJP	NA	NA
+PJ055984	ACMYWW 	C42H50N8O8S2	858.3193	NA	PeJP	NA	NA
+PJ055985	GSSSSSSSSS 	C29H50N10O20	858.3203	NA	PeJP	NA	NA
+PJ055986	GSSSSTCCK 	C30H54N10O15S2	858.3212	NA	PeJP	NA	NA
+PJ055987	GSSEMYW 	C38H50N8O13S	858.3218	NA	PeJP	NA	NA
+PJ055988	GGGDEMFF 	C38H50N8O13S	858.3219	NA	PeJP	NA	NA
+PJ055989	STCMMMR 	C31H58N10O10S4	858.322	NA	PeJP	NA	NA
+PJ055990	GSCCCKKM 	C31H58N10O10S4	858.3221	NA	PeJP	NA	NA
+PJ055991	NMMMFW 	C39H54N8O8S3	858.3227	NA	PeJP	NA	NA
+PJ055992	CNNHWW 	C39H46N12O9S	858.3232	NA	PeJP	NA	NA
+PJ055993	GSSSTEEY 	C34H50N8O18	858.3243	NA	PeJP	NA	NA
+PJ055994	GSPPDEEE 	C34H50N8O18	858.3244	NA	PeJP	NA	NA
+PJ055995	GTQEMMY 	C35H54N8O13S2	858.3252	NA	PeJP	NA	NA
+PJ055996	SSNNDHW 	C35H46N12O14	858.3257	NA	PeJP	NA	NA
+PJ055997	GMYYYY 	C43H50N6O11S	858.3258	NA	PeJP	NA	NA
+PJ055998	PCCKMMF 	C36H58N8O8S4	858.3261	NA	PeJP	NA	NA
+PJ055999	ACNMHHF 	C36H50N12O9S2	858.3265	NA	PeJP	NA	NA
+PJ056000	GCQMHHF 	C36H50N12O9S2	858.3266	NA	PeJP	NA	NA
+PJ056001	GSTTTMMM 	C32H58N8O13S3	858.3286	NA	PeJP	NA	NA
+PJ056002	SSSSSMHH 	C32H50N12O14S	858.329	NA	PeJP	NA	NA
+PJ056003	GDDEMHR 	C32H50N12O14S	858.3291	NA	PeJP	NA	NA
+PJ056004	CCLKMMM 	C33H62N8O8S5	858.3294	NA	PeJP	NA	NA
+PJ056005	GKMMMMM 	C33H62N8O8S5	858.3295	NA	PeJP	NA	NA
+PJ056006	SDEHWW 	C40H46N10O12	858.3297	NA	PeJP	NA	NA
+PJ056007	TCCKMHH 	C33H54N12O9S3	858.3299	NA	PeJP	NA	NA
+PJ056008	PCMHWW 	C41H50N10O7S2	858.3306	NA	PeJP	NA	NA
+MJ096346	Bussein B 	C43H54O18	858.331014	NA	MeJP	NA	NA
+MJ096347	Bussein C 	C43H54O18	858.331014	NA	MeJP	NA	NA
+PJ056009	QEEMHW 	C37H50N10O12S	858.3331	NA	PeJP	NA	NA
+PJ056010	SSSSSNQY 	C33H50N10O17	858.3356	NA	PeJP	NA	NA
+PJ056011	GSDMMRY 	C34H54N10O12S2	858.3364	NA	PeJP	NA	NA
+PJ056012	GGGGSCKMY 	C34H54N10O12S2	858.3365	NA	PeJP	NA	NA
+MJ096348	Flambeurekanose 	C36H58O23	858.336888	NA	MeJP	NA	NA
+PJ056013	GNEEHHH 	C34H46N14O13	858.3369	NA	PeJP	NA	NA
+PJ056014	SSMYWW 	C42H50N8O10S	858.3371	NA	PeJP	NA	NA
+PJ056015	GCCHHFR 	C35H50N14O8S2	858.3378	NA	PeJP	NA	NA
+PJ056016	SSSSSSSCK 	C30H54N10O17S	858.3389	NA	PeJP	NA	NA
+PJ056017	SSSTEYW 	C38H50N8O15	858.3396	NA	PeJP	NA	NA
+PJ056018	SSTCCCKK 	C31H58N10O12S3	858.3398	NA	PeJP	NA	NA
+PJ056019	SCNNEHR 	C31H50N14O13S	858.3403	NA	PeJP	NA	NA
+PJ056020	TQMMYW 	C39H54N8O10S2	858.3405	NA	PeJP	NA	NA
+PJ056021	STTQEMY 	C35H54N8O15S	858.3429	NA	PeJP	NA	NA
+PJ056022	SSDKEMY 	C35H54N8O15S	858.343	NA	PeJP	NA	NA
+PJ056023	STYYYY 	C43H50N6O13	858.3436	NA	PeJP	NA	NA
+PJ056024	GVQMMMY 	C36H58N8O10S3	858.3438	NA	PeJP	NA	NA
+PJ056025	DDMHRW 	C36H50N12O11S	858.3443	NA	PeJP	NA	NA
+PJ056026	SSTTTTMM 	C32H58N8O15S2	858.3463	NA	PeJP	NA	NA
+PJ056027	SSDEEHR 	C32H50N12O16	858.3468	NA	PeJP	NA	NA
+PJ056028	STKMMMM 	C33H62N8O10S4	858.3472	NA	PeJP	NA	NA
+PJ056029	SPCEMHR 	C33H54N12O11S2	858.3477	NA	PeJP	NA	NA
+PJ056030	SNNNHHH 	C33H46N16O12	858.3481	NA	PeJP	NA	NA
+PJ056031	GGSNNHHH 	C33H46N16O12	858.3482	NA	PeJP	NA	NA
+PJ056032	AEMHWW 	C41H50N10O9S	858.3483	NA	PeJP	NA	NA
+PJ056033	GTTEEHW 	C37H50N10O14	858.3508	NA	PeJP	NA	NA
+PJ056034	GGGGAPEEW 	C37H50N10O14	858.3509	NA	PeJP	NA	NA
+PJ056035	TCMRYW 	C38H54N10O9S2	858.3517	NA	PeJP	NA	NA
+PJ056036	NEHHHW 	C38H46N14O10	858.3522	NA	PeJP	NA	NA
+PJ056037	ACFFWW 	C46H50N8O7S	858.3523	NA	PeJP	NA	NA
+PJ056038	SSSEMRY 	C34H54N10O14S	858.3542	NA	PeJP	NA	NA
+PJ056039	AQEYYW 	C42H50N8O12	858.3548	NA	PeJP	NA	NA
+PJ056040	GAAEYYW 	C42H50N8O12	858.3549	NA	PeJP	NA	NA
+PJ056041	QMMMRY 	C35H58N10O9S3	858.3551	NA	PeJP	NA	NA
+PJ056042	GSCNHRW 	C35H50N14O10S	858.3555	NA	PeJP	NA	NA
+PJ056043	GGGSCHRW 	C35H50N14O10S	858.3556	NA	PeJP	NA	NA
+PJ056044	MMHFFF 	C43H54N8O7S2	858.3557	NA	PeJP	NA	NA
+PJ056045	GSSSNDHR 	C31H50N14O15	858.358	NA	PeJP	NA	NA
+PJ056046	GGGSSSDHR 	C31H50N14O15	858.3581	NA	PeJP	NA	NA
+PJ056047	GTTTMYW 	C39H54N8O12S	858.3582	NA	PeJP	NA	NA
+PJ056048	GFFYYY 	C47H50N6O10	858.3589	NA	PeJP	NA	NA
+PJ056049	SSSSSLEY 	C35H54N8O17	858.3607	NA	PeJP	NA	NA
+PJ056050	GTKEMMY 	C36H58N8O12S2	858.3616	NA	PeJP	NA	NA
+PJ056051	GPNDDRW 	C36H50N12O13	858.3621	NA	PeJP	NA	NA
+PJ056052	PPCCHFR 	C37H54N12O8S2	858.3629	NA	PeJP	NA	NA
+PJ056053	GTEEMHR 	C33H54N12O13S	858.3654	NA	PeJP	NA	NA
+PJ056054	GGGPPTCDR 	C33H54N12O13S	858.3655	NA	PeJP	NA	NA
+PJ056055	TTEHWW 	C41H50N10O11	858.3661	NA	PeJP	NA	NA
+PJ056056	CMMRRY 	C34H58N12O8S3	858.3663	NA	PeJP	NA	NA
+PJ056057	GHHHWW 	C42H46N14O7	858.3674	NA	PeJP	NA	NA
+PJ056058	NNNNNNR 	C30H50N16O14	858.3693	NA	PeJP	NA	NA
+PJ056059	KEEMHW 	C38H54N10O11S	858.3695	NA	PeJP	NA	NA
+PJ056060	AAYYWW 	C46H50N8O9	858.3701	NA	PeJP	NA	NA
+PJ056061	GCCQHRR 	C31H54N16O9S2	858.3702	NA	PeJP	NA	NA
+PJ056062	SSSSSNKY 	C34H54N10O16	858.3719	NA	PeJP	NA	NA
+PJ056063	GGSSSSSKY 	C34H54N10O16	858.372	NA	PeJP	NA	NA
+PJ056064	GTTMMRY 	C35H58N10O11S2	858.3728	NA	PeJP	NA	NA
+PJ056065	GGGGGPPVMM 	C35H58N10O11S2	858.3729	NA	PeJP	NA	NA
+MJ096349	Olgose 	C37H62O22	858.373273	NA	MeJP	NA	NA
+PJ056066	GNNDHFR 	C35H50N14O12	858.3733	NA	PeJP	NA	NA
+PJ056067	PCKYYW 	C43H54N8O9S	858.3735	NA	PeJP	NA	NA
+PJ056068	STTTTYW 	C39H54N8O14	858.376	NA	PeJP	NA	NA
+PJ056069	SSNQMHR 	C32H54N14O12S	858.3767	NA	PeJP	NA	NA
+PJ056070	TKMMYW 	C40H58N8O9S2	858.3768	NA	PeJP	NA	NA
+PJ056071	PPPTMMW 	C40H58N8O9S2	858.3769	NA	PeJP	NA	NA
+PJ056072	NQQHFW 	C40H50N12O10	858.3773	NA	PeJP	NA	NA
+PJ056073	STTKEMY 	C36H58N8O14S	858.3793	NA	PeJP	NA	NA
+PJ056074	PPKEEEM 	C36H58N8O14S	858.3794	NA	PeJP	NA	NA
+PJ056075	GVKMMMY 	C37H62N8O9S3	858.3802	NA	PeJP	NA	NA
+PJ056076	TEMHRW 	C37H54N12O10S	858.3807	NA	PeJP	NA	NA
+PJ056077	GPQWWW 	C45H50N10O8	858.3813	NA	PeJP	NA	NA
+MJ096350	Serum thymic factor 	C33H54N12O15	858.383159	NA	MeJP	NA	NA
+PJ056078	STTEEHR 	C33H54N12O15	858.3832	NA	PeJP	NA	NA
+PJ056079	GVEMMHR 	C34H58N12O10S2	858.3841	NA	PeJP	NA	NA
+PJ056080	GSEHHHR 	C34H50N16O11	858.3845	NA	PeJP	NA	NA
+PJ056081	SLMHWW 	C42H54N10O8S	858.3847	NA	PeJP	NA	NA
+PJ056082	SSTLEHW 	C38H54N10O13	858.3872	NA	PeJP	NA	NA
+PJ056083	SSCNHRR 	C31H54N16O11S	858.3879	NA	PeJP	NA	NA
+PJ056084	AALMMHW 	C39H58N10O8S2	858.3881	NA	PeJP	NA	NA
+MJ096351	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C41H62O19	858.388529	NA	MeJP	NA	NA
+MJ096352	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C41H62O19	858.388529	NA	MeJP	NA	NA
+MJ096353	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] 	C41H62O19	858.388529	NA	MeJP	NA	NA
+MJ096354	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] 	C41H62O19	858.388529	NA	MeJP	NA	NA
+PJ056085	DKHHHW 	C39H50N14O9	858.3886	NA	PeJP	NA	NA
+PJ056086	STTTMRY 	C35H58N10O13S	858.3906	NA	PeJP	NA	NA
+PJ056087	PLEEWW 	C43H54N8O11	858.3912	NA	PeJP	NA	NA
+PJ056088	GGGVEFFF 	C43H54N8O11	858.3913	NA	PeJP	NA	NA
+PJ056089	KMMMRY 	C36H62N10O8S3	858.3915	NA	PeJP	NA	NA
+PJ056090	GLQMHHH 	C36H54N14O9S	858.3919	NA	PeJP	NA	NA
+PJ056091	PPHHWW 	C44H50N12O7	858.3926	NA	PeJP	NA	NA
+PJ056092	SPNDDRR 	C32H54N14O14	858.3944	NA	PeJP	NA	NA
+PJ056093	GGGGGGVNER 	C32H54N14O14	858.3945	NA	PeJP	NA	NA
+PJ056094	SPPLEMW 	C40H58N8O11S	858.3946	NA	PeJP	NA	NA
+PJ056095	EMMHRR 	C33H58N14O9S2	858.3953	NA	PeJP	NA	NA
+PJ056096	SSSTTTLY 	C36H58N8O16	858.3971	NA	PeJP	NA	NA
+PJ056097	SSLKMMY 	C37H62N8O11S2	858.398	NA	PeJP	NA	NA
+PJ056098	SSSQKHW 	C37H54N12O12	858.3984	NA	PeJP	NA	NA
+PJ056099	GSPQERW 	C37H54N12O12	858.3985	NA	PeJP	NA	NA
+PJ056100	VMMHRW 	C38H58N12O7S2	858.3993	NA	PeJP	NA	NA
+PJ056101	SHHHRW 	C38H50N16O8	858.3998	NA	PeJP	NA	NA
+PJ056102	SSLEMHR 	C34H58N12O12S	858.4018	NA	PeJP	NA	NA
+PJ056103	GGGGGGAAPKM 	C34H58N12O12S	858.4019	NA	PeJP	NA	NA
+PJ056104	PNKEWW 	C42H54N10O10	858.4025	NA	PeJP	NA	NA
+PJ056105	AAMHHHR 	C35H54N16O8S	858.4032	NA	PeJP	NA	NA
+MJ096355	Antibiotic BE 29602 	C45H62O16	858.403785	NA	MeJP	NA	NA
+PJ056106	GNNNERR 	C31H54N16O13	858.4057	NA	PeJP	NA	NA
+PJ056107	ATTLMHW 	C39H58N10O10S	858.4058	NA	PeJP	NA	NA
+PJ056108	GGSPPKMW 	C39H58N10O10S	858.4059	NA	PeJP	NA	NA
+PJ056109	VNFFFW 	C47H54N8O8	858.4065	NA	PeJP	NA	NA
+PJ056110	SSSSLLEH 	C35H58N10O15	858.4083	NA	PeJP	NA	NA
+PJ056111	SPLEEER 	C35H58N10O15	858.4084	NA	PeJP	NA	NA
+PJ056112	SCCKKKY 	C36H62N10O10S2	858.4092	NA	PeJP	NA	NA
+PJ056113	NQQQRW 	C36H54N14O11	858.4097	NA	PeJP	NA	NA
+PJ056114	CLKFYW 	C44H58N8O8S	858.4099	NA	PeJP	NA	NA
+PJ056115	SPTTKYY 	C40H58N8O13	858.4123	NA	PeJP	NA	NA
+PJ056116	SPVLEEW 	C40H58N8O13	858.4124	NA	PeJP	NA	NA
+PJ056117	SSNKMHR 	C33H58N14O11S	858.413	NA	PeJP	NA	NA
+PJ056118	GPNEMRR 	C33H58N14O11S	858.4131	NA	PeJP	NA	NA
+PJ056119	PPVVMMW 	C41H62N8O8S2	858.4132	NA	PeJP	NA	NA
+PJ056120	SPQRWW 	C41H54N12O9	858.4137	NA	PeJP	NA	NA
+PJ056121	PLLQEEM 	C37H62N8O13S	858.4157	NA	PeJP	NA	NA
+PJ056122	GAPLLEEM 	C37H62N8O13S	858.4158	NA	PeJP	NA	NA
+PJ056123	AAPQMRW 	C38H58N12O9S	858.4171	NA	PeJP	NA	NA
+PJ056124	GPKWWW 	C46H54N10O7	858.4177	NA	PeJP	NA	NA
+PJ056125	SPNKEER 	C34H58N12O14	858.4196	NA	PeJP	NA	NA
+PJ056126	ATLMMHR 	C35H62N12O9S2	858.4204	NA	PeJP	NA	NA
+PJ056127	SVVMMHR 	C35H62N12O9S2	858.4205	NA	PeJP	NA	NA
+PJ056128	NNNRRW 	C35H54N16O10	858.4209	NA	PeJP	NA	NA
+PJ056129	TTTTLHW 	C39H58N10O12	858.4236	NA	PeJP	NA	NA
+PJ056130	GPCDRRR 	C32H58N16O10S	858.4243	NA	PeJP	NA	NA
+PJ056131	KMMFFR 	C40H62N10O7S2	858.4245	NA	PeJP	NA	NA
+C08856	Thevetin B	C42H66O18	858.4249	NA	KEGG	NA	NA
+C12091	Cerberoside	C42H66O18	858.4249	NA	KEGG	NA	NA
+MJ096356	2,3,19,24-Tetrahydroxy-12-ursene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096357	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096358	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096359	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-glucopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096360	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096361	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096362	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096363	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096364	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096365	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+MJ096366	Neriagenin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-diginoside] 	C42H66O18	858.424915	NA	MeJP	NA	NA
+PJ056132	GPKHHHF 	C40H54N14O8	858.425	NA	PeJP	NA	NA
+PJ056133	PVVEEMR 	C36H62N10O12S	858.427	NA	PeJP	NA	NA
+PJ056134	SLKYYW 	C44H58N8O10	858.4276	NA	PeJP	NA	NA
+PJ056135	PNMRRW 	C37H58N14O8S	858.4283	NA	PeJP	NA	NA
+PJ056136	AAQEERR 	C33H58N14O13	858.4308	NA	PeJP	NA	NA
+PJ056137	GGGGGGGGGAKK 	C33H58N14O13	858.4309	NA	PeJP	NA	NA
+PJ056138	APLLEMW 	C41H62N8O10S	858.431	NA	PeJP	NA	NA
+PJ056139	PPCCKRR 	C34H62N14O8S2	858.4317	NA	PeJP	NA	NA
+PJ056140	VLLQEEE 	C37H62N8O15	858.4335	NA	PeJP	NA	NA
+PJ056141	GPPTLLMM 	C38H66N8O10S2	858.4344	NA	PeJP	NA	NA
+PJ056142	GSPKERW 	C38H58N12O11	858.4348	NA	PeJP	NA	NA
+PJ056143	GGAALERW 	C38H58N12O11	858.4349	NA	PeJP	NA	NA
+PJ056144	TTTLMHR 	C35H62N12O11S	858.4382	NA	PeJP	NA	NA
+MJ096367	Cyclotheonamide E; Cyclotheonamide E 	C43H58N10O9	858.438823	NA	MeJP	NA	NA
+PJ056145	PDKKWW 	C43H58N10O9	858.4389	NA	PeJP	NA	NA
+MJ096368	24(23?22)-Abeo-16,23-epoxycholesta-5,24-diene-3,18,23-triol, 3-O-[(4-Hydroxybenzoyl)(?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C46H66O15	858.440171	NA	MeJP	NA	NA
+PJ056146	GNNDKRR 	C32H58N16O12	858.442	NA	PeJP	NA	NA
+PJ056147	NEERRR 	C32H58N16O12	858.4421	NA	PeJP	NA	NA
+PJ056148	GPLQKMW 	C40H62N10O9S	858.4422	NA	PeJP	NA	NA
+PJ056149	ALLEEER 	C36H62N10O14	858.4447	NA	PeJP	NA	NA
+PJ056150	GGGALLDKE 	C36H62N10O14	858.4448	NA	PeJP	NA	NA
+PJ056151	SLLKMMH 	C37H66N10O9S2	858.4456	NA	PeJP	NA	NA
+PJ056152	VNERRW 	C37H58N14O10	858.4461	NA	PeJP	NA	NA
+MJ096369	N-Deacyltunicamycin; N4''-(14-Methyl-2-hexadecenoyl) 	C40H66N4O16	858.447382	NA	MeJP	NA	NA
+MJ096370	N-Deacyltunicamycin; N4''-(15-Methyl-2-hexadecenoyl) 	C40H66N4O16	858.447382	NA	MeJP	NA	NA
+MJ096371	N-Deacyltunicamycin; N4''-(2-Heptadecenoyl) 	C40H66N4O16	858.447382	NA	MeJP	NA	NA
+PJ056153	PTTLLEW 	C41H62N8O12	858.4487	NA	PeJP	NA	NA
+PJ056154	GLLLEEW 	C41H62N8O12	858.4488	NA	PeJP	NA	NA
+PJ056155	APTQMRR 	C34H62N14O10S	858.4494	NA	PeJP	NA	NA
+PJ056156	GPDKMRR 	C34H62N14O10S	858.4495	NA	PeJP	NA	NA
+PJ056157	SPKRWW 	C42H58N12O8	858.4501	NA	PeJP	NA	NA
+PJ056158	PLLKEEM 	C38H66N8O12S	858.4521	NA	PeJP	NA	NA
+PJ056159	GSNNRRR 	C31H58N18O11	858.4533	NA	PeJP	NA	NA
+PJ056160	AAPKMRW 	C39H62N12O8S	858.4535	NA	PeJP	NA	NA
+PJ056161	VTQQQQK 	C35H62N12O13	858.4559	NA	PeJP	NA	NA
+PJ056162	GLQKEER 	C35H62N12O13	858.456	NA	PeJP	NA	NA
+PJ056163	PPCKKMR 	C36H66N12O8S2	858.4568	NA	PeJP	NA	NA
+PJ056164	GERRRW 	C36H58N16O9	858.4573	NA	PeJP	NA	NA
+PJ056165	APTKKEW 	C40H62N10O11	858.46	NA	PeJP	NA	NA
+PJ056166	GSPMRRR 	C33H62N16O9S	858.4607	NA	PeJP	NA	NA
+MJ096372	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C43H70O17	858.4613	NA	MeJP	NA	NA
+PJ056167	GVRRWW 	C41H58N14O7	858.4613	NA	PeJP	NA	NA
+PJ056168	PTLLEMR 	C37H66N10O11S	858.4634	NA	PeJP	NA	NA
+MJ096373	Psammosilenin B 	C45H62N8O9	858.463975	NA	MeJP	NA	NA
+PJ056169	LLLEWW 	C45H62N8O9	858.464	NA	PeJP	NA	NA
+PJ056170	LMHFRR 	C38H62N14O7S	858.4647	NA	PeJP	NA	NA
+PJ056171	AAKEERR 	C34H62N14O12	858.4672	NA	PeJP	NA	NA
+PJ056172	SPLLLMW 	C42H66N8O9S	858.4674	NA	PeJP	NA	NA
+PJ056173	VLLKEEE 	C38H66N8O14	858.4699	NA	PeJP	NA	NA
+PJ056174	AAPLLLMM 	C39H70N8O9S2	858.4708	NA	PeJP	NA	NA
+PJ056175	LQKERW 	C39H62N12O10	858.4712	NA	PeJP	NA	NA
+PJ056176	RRRWW 	C40H58N16O6	858.4726	NA	PeJP	NA	NA
+PJ056177	APKKEMR 	C36H66N12O10S	858.4746	NA	PeJP	NA	NA
+PJ056178	VLQKWW 	C44H62N10O8	858.4752	NA	PeJP	NA	NA
+PJ056179	GGLLKWW 	C44H62N10O8	858.4753	NA	PeJP	NA	NA
+MJ096374	Avermectin B1a; 3''-O-De-Me 	C47H70O14	858.476556	NA	MeJP	NA	NA
+MJ096375	Avermectin B1b 	C47H70O14	858.476556	NA	MeJP	NA	NA
+MJ096376	Pectenotoxin 1; 43-Deoxy 	C47H70O14	858.476556	NA	MeJP	NA	NA
+C11967	Avermectin B1b	C47H70O14	858.4766	NA	KEGG	NA	NA
+8092	peptide derived from bovine aS2-casein	EEEKNRLTKKTKLT	858.47745	MH2+	Inhouse_peptide	NA	peptide
+PJ056180	DKERRR 	C33H62N16O11	858.4784	NA	PeJP	NA	NA
+PJ056181	GGGGATKRR 	C33H62N16O11	858.4785	NA	PeJP	NA	NA
+PJ056182	GPLKKMW 	C41H66N10O8S	858.4786	NA	PeJP	NA	NA
+PJ056183	SLLLEER 	C37H66N10O13	858.4811	NA	PeJP	NA	NA
+PJ056184	PVLLMMR 	C38H70N10O8S2	858.482	NA	PeJP	NA	NA
+MJ096377	1-Hexadecanol; O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C40H74O19	858.48243	NA	MeJP	NA	NA
+PJ056185	VDKRRW 	C38H62N14O9	858.4825	NA	PeJP	NA	NA
+PJ056186	SVLLLEW 	C42H66N8O11	858.4851	NA	PeJP	NA	NA
+PJ056187	GAPLLLEF 	C42H66N8O11	858.4852	NA	PeJP	NA	NA
+PJ056188	APTKMRR 	C35H66N14O9S	858.4858	NA	PeJP	NA	NA
+PJ056189	ALKRWW 	C43H62N12O7	858.4865	NA	PeJP	NA	NA
+PJ056190	LLLLQEM 	C39H70N8O11S	858.4885	NA	PeJP	NA	NA
+PJ056191	SERRRR 	C32H62N18O10	858.4897	NA	PeJP	NA	NA
+PJ056192	PTTKKER 	C36H66N12O12	858.4923	NA	PeJP	NA	NA
+PJ056193	GLKKEER 	C36H66N12O12	858.4924	NA	PeJP	NA	NA
+PJ056194	SVRRRW 	C37H62N16O8	858.4937	NA	PeJP	NA	NA
+PJ056195	GVLKKEW 	C41H66N10O10	858.4964	NA	PeJP	NA	NA
+PJ056196	LQMRRR 	C34H66N16O8S	858.4971	NA	PeJP	NA	NA
+MJ096378	Semduramicin; O4'-De-Me 	C44H74O16	858.497686	NA	MeJP	NA	NA
+MJ096379	Semduramicin; O6-De-Me 	C44H74O16	858.497686	NA	MeJP	NA	NA
+PJ056197	CLLLLER 	C38H70N10O10S	858.4997	NA	PeJP	NA	NA
+PJ056198	VVLLEMR 	C38H70N10O10S	858.4998	NA	PeJP	NA	NA
+PJ056199	APLLLFW 	C46H66N8O8	858.5004	NA	PeJP	NA	NA
+PJ056200	GTLKERR 	C35H66N14O11	858.5036	NA	PeJP	NA	NA
+PJ056201	ALLLLMW 	C43H70N8O8S	858.5038	NA	PeJP	NA	NA
+PJ056202	GTTLLLLE 	C39H70N8O13	858.5063	NA	PeJP	NA	NA
+PJ056203	LKKERW 	C40H66N12O9	858.5076	NA	PeJP	NA	NA
+PJ056204	CLRRRR 	C33H66N18O7S	858.5083	NA	PeJP	NA	NA
+PJ056205	SPLKKMR 	C37H70N12O9S	858.511	NA	PeJP	NA	NA
+PJ056206	VLKKWW 	C45H66N10O7	858.5116	NA	PeJP	NA	NA
+MJ096380	12-Oleanene-3,16,21,22,24,28-hexol, 16-Ac, 21-O-(3,4-diangeloyl-?-D-fucopyranoside) 	C48H74O13	858.512942	NA	MeJP	NA	NA
+PJ056207	GTTLRRR 	C34H66N16O10	858.5148	NA	PeJP	NA	NA
+PJ056208	VVKKKEE 	C38H70N10O12	858.5175	NA	PeJP	NA	NA
+PJ056209	TLKRRW 	C39H66N14O8	858.5188	NA	PeJP	NA	NA
+PJ056210	GGKKKRW 	C39H66N14O8	858.5189	NA	PeJP	NA	NA
+PJ056211	TTLLLLW 	C43H70N8O10	858.5215	NA	PeJP	NA	NA
+PJ056212	GVLKMRR 	C36H70N14O8S	858.5222	NA	PeJP	NA	NA
+PJ056213	LLLLKEM 	C40H74N8O10S	858.5249	NA	PeJP	NA	NA
+HMDB09789	PI(16:0/20:4(5Z,8Z,11Z,14Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09790	PI(16:0/20:4(8Z,11Z,14Z,17Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09827	PI(18:1(11Z)/18:3(6Z,9Z,12Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09828	PI(18:1(11Z)/18:3(9Z,12Z,15Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09839	PI(18:1(9Z)/18:3(6Z,9Z,12Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09840	PI(18:1(9Z)/18:3(9Z,12Z,15Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09850	PI(18:2(9Z,12Z)/18:2(9Z,12Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09859	PI(18:3(6Z,9Z,12Z)/18:1(11Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09860	PI(18:3(6Z,9Z,12Z)/18:1(9Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09863	PI(18:3(9Z,12Z,15Z)/18:1(11Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09864	PI(18:3(9Z,12Z,15Z)/18:1(9Z))	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09893	PI(20:4(5Z,8Z,11Z,14Z)/16:0)	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+HMDB09899	PI(20:4(8Z,11Z,14Z,17Z)/16:0)	C45H79O13P	858.525818	NA	HMDB2010	NA	NA
+PJ056214	SVLKKER 	C37H70N12O11	858.5287	NA	PeJP	NA	NA
+PJ056215	GAAKKKKE 	C37H70N12O11	858.5288	NA	PeJP	NA	NA
+PJ056216	PKFRRR 	C38H66N16O7	858.5301	NA	PeJP	NA	NA
+PJ056217	ATLLKKW 	C42H70N10O9	858.5328	NA	PeJP	NA	NA
+PJ056218	LKMRRR 	C35H70N16O7S	858.5335	NA	PeJP	NA	NA
+PJ056219	TLLLLMR 	C39H74N10O9S	858.5361	NA	PeJP	NA	NA
+PJ056220	SSLLKRR 	C36H70N14O10	858.54	NA	PeJP	NA	NA
+PJ056221	SSTIILLL 	C40H74N8O12	858.5426	NA	PeJP	NA	NA
+PJ056222	SSTLLLLL 	C40H74N8O12	858.5427	NA	PeJP	NA	NA
+PJ056223	AAKKKKW 	C41H70N12O8	858.544	NA	PeJP	NA	NA
+PJ056224	ALLKKMR 	C38H74N12O8S	858.5474	NA	PeJP	NA	NA
+PJ056225	GSKKKRR 	C35H70N16O9	858.5512	NA	PeJP	NA	NA
+PJ056226	TLLKKKE 	C39H74N10O11	858.5539	NA	PeJP	NA	NA
+PJ056227	PLLLLKY 	C44H74N8O9	858.5579	NA	PeJP	NA	NA
+PJ056228	TTLLKKR 	C38H74N12O10	858.5651	NA	PeJP	NA	NA
+PJ056229	VVLLLFR 	C43H74N10O8	858.5691	NA	PeJP	NA	NA
+C04509	di-trans,poly-cis-Decaprenyl diphosphate	C50H84O7P2	858.5692	NA	KEGG	NA	NA
+C04510	tRNA 3-(3-amino-3-carboxypropyl)-uridine	C13H20N3O11P	858.5692	NA	KEGG	NA	NA
+C04511	tRNA(Asp)-O-5''-beta-D-mannosylqueuosine	C33H49N5O24P2R2	858.5692	NA	KEGG	NA	NA
+C04512	trans,trans-2,3,4,5-Tetradehydroacyl-CoA	C26H39N7O17P3SR	858.5692	NA	KEGG	NA	NA
+C17432	all-trans-Decaprenyl diphosphate	C50H84O7P2	858.5692	NA	KEGG	NA	NA
+PJ056230	PVLKKKF 	C43H74N10O8	858.5692	NA	PeJP	NA	NA
+MetaCyc04200	di-trans,poly-cis-decaprenyl diphosphate [di-trans-poly-cis-decaprenyl diphosphate;]	C50H84O7P2	858.569228	NA	metacyc	NA	NA
+PJ056231	VLLKKKM 	C40H78N10O8S	858.5725	NA	PeJP	NA	NA
+PJ056232	ATKKKKR 	C37H74N14O9	858.5764	NA	PeJP	NA	NA
+PJ056233	LLLLLKF 	C45H78N8O8	858.5943	NA	PeJP	NA	NA
+PJ056234	SLKKKKK 	C39H78N12O9	858.6015	NA	PeJP	NA	NA
+HMDB05369	TG(16:0/18:0/18:2(9Z,12Z))[iso6]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB05378	TG(16:0/16:1(9Z)/20:1(11Z))[iso6]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB05382	TG(16:0/18:1(9Z)/18:1(9Z))[iso3]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB05423	TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB05431	TG(16:1(9Z)/16:1(9Z)/20:0)[iso3]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB10425	TG(16:1(9Z)/18:0/18:1(11Z))[iso6]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB10437	TG(18:1(11Z)/16:0/18:1(11Z))[iso3]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB10438	TG(18:1(11Z)/16:0/18:1(9Z))[iso6]	C55H102O6	858.767639	NA	HMDB2010	NA	NA
+HMDB05369	TG(16:0/18:0/18:2(9Z,12Z))[iso6]	C55H102O6	858.76764	http://www.hmdb.ca/metabolites/HMDB05369	HMDB	NA	NA
+HMDB05378	TG(16:0/16:1(9Z)/20:1(11Z))[iso6]	C55H102O6	858.76764	http://www.hmdb.ca/metabolites/HMDB05378	HMDB	NA	NA
+HMDB05382	TG(16:0/18:1(9Z)/18:1(9Z))[iso3]	C55H102O6	858.76764	http://www.hmdb.ca/metabolites/HMDB05382	HMDB	NA	NA
+HMDB05423	TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	C55H102O6	858.76764	http://www.hmdb.ca/metabolites/HMDB05423	HMDB	NA	NA
+HMDB05431	TG(16:1(9Z)/16:1(9Z)/20:0)[iso3]	C55H102O6	858.76764	http://www.hmdb.ca/metabolites/HMDB05431	HMDB	NA	NA
+MJ096381	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dihexadecanoate 3-(8Z,11Z-eicosadienoate) 	C55H102O6	858.76764	NA	MeJP	NA	NA
+HMDB05369	TG(16:0/18:0/18:2(9Z,12Z))[iso6]	C55H102O6	858.76764	HMDB05369	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05378	TG(16:0/16:1(9Z)/20:1(11Z))[iso6]	C55H102O6	858.76764	HMDB05378	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05382	TG(16:0/18:1(9Z)/18:1(9Z))[iso3]	C55H102O6	858.76764	HMDB05382	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05423	TG(16:1(9Z)/18:0/18:1(9Z))[iso6]	C55H102O6	858.76764	HMDB05423	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05431	TG(16:1(9Z)/16:1(9Z)/20:0)[iso3]	C55H102O6	858.76764	HMDB05431	PFEM_hmdb_metabocards_official	NA	NA
+FL7AAGGL0037	Delphinidin 3-(6''-O-4-malyl-glucoside)-5-(6'''-O-1-malyl-glucoside)	C35H39O25	859.17804	592522-40-2	knapsack	NA	NA
+PJ056235	PCCCCCND 	C28H45N9O12S5	859.1792	NA	PeJP	NA	NA
+PJ056236	CCCCCYY 	C33H45N7O10S5	859.1832	NA	PeJP	NA	NA
+FL7AACGL0054	Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside)	C39H39O22	859.19329	-	knapsack	NA	NA
+FL7AACGL0059	Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside)	C39H39O22	859.19329	150447-30-6	knapsack	NA	NA
+FL7AAGGL0023	Malonylawobanin;Delphinidin 3-(6''-(E)-p-coumaroylglucoside)-5-(6''-malonylglucoside)	C39H39O22	859.19329	88399-23-9<BR>105418-99-3<BR>136031-07-7	knapsack	NA	NA
+FL7AAGGL0065	Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside)	C39H39O22	859.19329	138752-16-6	knapsack	NA	NA
+MetaCyc04201	malonylshisonin []	C39H39O22	859.193298	NA	metacyc	NA	NA
+C08653	Malonylawobanin	C39H39O22	859.1933	NA	KEGG	NA	NA
+PJ056237	GCCCNDDM 	C28H45N9O14S4	859.1969	NA	PeJP	NA	NA
+PJ056238	SCCCCNNN 	C27H45N11O13S4	859.2081	NA	PeJP	NA	NA
+PJ056239	GGSCCCCNN 	C27H45N11O13S4	859.2082	NA	PeJP	NA	NA
+PJ056240	CCCCNEW 	C32H45N9O11S4	859.2122	NA	PeJP	NA	NA
+FL7AACGL0065	Cyanidin 3-(6''-malonylsophoroside)-5-glucoside	C36H43O24	859.21442	63003-09-8<BR>117829-27-3	knapsack	NA	NA
+FL7AACGL0113	Cyanidin 3-(3-glucosyl-6-malonylglucoside)-4'-glucoside	C36H43O24	859.21442	651768-27-3	knapsack	NA	NA
+FL7AACGS0007	Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside	C36H43O24	859.21442	651768-28-4	knapsack	NA	NA
+FL7AAGGL0044	Delphinidin 3-neohesperidoside-7-(6-malonylglucoside)	C36H43O24	859.21442	225650-02-2	knapsack	NA	NA
+PJ056241	SSCCCNDE 	C28H45N9O16S3	859.2147	NA	PeJP	NA	NA
+PJ056242	SPCCCCNM 	C29H49N9O11S5	859.2155	NA	PeJP	NA	NA
+PJ056243	GGSPCCCCM 	C29H49N9O11S5	859.2156	NA	PeJP	NA	NA
+PJ056244	CDDDDDY 	C32H41N7O19S	859.2178	NA	PeJP	NA	NA
+PJ056245	CDDDMMM 	C30H49N7O14S4	859.2221	NA	PeJP	NA	NA
+PJ056246	GCCCCWW 	C36H45N9O8S4	859.2274	NA	PeJP	NA	NA
+PJ056247	GSSCCCDW 	C32H45N9O13S3	859.2299	NA	PeJP	NA	NA
+PJ056248	GSSSSCCDD 	C28H45N9O18S2	859.2324	NA	PeJP	NA	NA
+PJ056249	GSCCNDMM 	C29H49N9O13S4	859.2333	NA	PeJP	NA	NA
+PJ056250	CDDDDMF 	C33H45N7O16S2	859.2365	NA	PeJP	NA	NA
+PJ056251	CCDDMHH 	C31H45N11O12S3	859.2412	NA	PeJP	NA	NA
+PJ056252	GSCCCCER 	C28H49N11O12S4	859.2445	NA	PeJP	NA	NA
+PJ056253	DDDDDEH 	C31H41N9O20	859.2468	NA	PeJP	NA	NA
+PJ056254	CCNNDEY 	C32H45N9O15S2	859.2477	NA	PeJP	NA	NA
+PJ056255	SCCCQMW 	C33H49N9O10S4	859.2486	NA	PeJP	NA	NA
+PJ056256	SSTCCCQE 	C29H49N9O15S3	859.251	NA	PeJP	NA	NA
+PJ056257	SSSCCNEM 	C29H49N9O15S3	859.2511	NA	PeJP	NA	NA
+PJ056258	CCNQMMM 	C30H53N9O10S5	859.2519	NA	PeJP	NA	NA
+PJ056259	GSCCCNHH 	C30H45N13O11S3	859.2524	NA	PeJP	NA	NA
+PJ056260	SDDDDMY 	C33H45N7O18S	859.2542	NA	PeJP	NA	NA
+PJ056261	PCCDEMY 	C34H49N7O13S3	859.2551	NA	PeJP	NA	NA
+PJ056262	SCEEMMM 	C31H53N7O13S4	859.2584	NA	PeJP	NA	NA
+PJ056263	SDDMMMM 	C31H53N7O13S4	859.2585	NA	PeJP	NA	NA
+PJ056264	GPCCNDDH 	C31H45N11O14S2	859.2589	NA	PeJP	NA	NA
+PJ056265	SCCCCRW 	C32H49N11O9S4	859.2598	NA	PeJP	NA	NA
+PJ056266	SSSCCCDR 	C28H49N11O14S3	859.2623	NA	PeJP	NA	NA
+PJ056267	GCCNDYW 	C36H45N9O12S2	859.2629	NA	PeJP	NA	NA
+PJ056268	GGGCCDYW 	C36H45N9O12S2	859.263	NA	PeJP	NA	NA
+PJ056269	CCCNMMR 	C29H53N11O9S5	859.2632	NA	PeJP	NA	NA
+PJ056270	GSSCNDDY 	C32H45N9O17S	859.2654	NA	PeJP	NA	NA
+PJ056271	GGGSSCDDY 	C32H45N9O17S	859.2655	NA	PeJP	NA	NA
+PJ056272	GSSSCCMW 	C33H49N9O12S3	859.2663	NA	PeJP	NA	NA
+PJ056273	GSSSSSCDM 	C29H49N9O17S2	859.2688	NA	PeJP	NA	NA
+PJ056274	GSSCNMMM 	C30H53N9O12S4	859.2697	NA	PeJP	NA	NA
+PJ056275	GDDEMMY 	C34H49N7O15S2	859.2728	NA	PeJP	NA	NA
+PJ056276	PCCEMMF 	C35H53N7O10S4	859.2737	NA	PeJP	NA	NA
+PJ056277	NNDDDMH 	C31H45N11O16S	859.2767	NA	PeJP	NA	NA
+PJ056278	GEMMMMM 	C32H57N7O10S5	859.2771	NA	PeJP	NA	NA
+PJ056279	CCCNDFR 	C32H49N11O11S3	859.2775	NA	PeJP	NA	NA
+PJ056280	GGCCCDFR 	C32H49N11O11S3	859.2776	NA	PeJP	NA	NA
+PJ056281	GSTCCCMR 	C29H53N11O11S4	859.2809	NA	PeJP	NA	NA
+PJ056282	GCCNMFW 	C37H49N9O9S3	859.2816	NA	PeJP	NA	NA
+PJ056283	SDDEEEH 	C32H45N9O19	859.2832	NA	PeJP	NA	NA
+PJ056284	SSSSTCCW 	C33H49N9O14S2	859.2841	NA	PeJP	NA	NA
+PJ056285	SCCCKMW 	C34H53N9O9S4	859.2849	NA	PeJP	NA	NA
+PJ056286	GPCCCCKF 	C34H53N9O9S4	859.285	NA	PeJP	NA	NA
+PJ056287	SSSSSSSCE 	C29H49N9O19S	859.2866	NA	PeJP	NA	NA
+PJ056288	GDDDEFY 	C37H45N7O17	859.2872	NA	PeJP	NA	NA
+PJ056289	SSSSCQMM 	C30H53N9O14S3	859.2874	NA	PeJP	NA	NA
+PJ056290	GSCNNNDH 	C30H45N13O15S	859.2879	NA	PeJP	NA	NA
+PJ056291	DDMMYW 	C38H49N7O12S2	859.2881	NA	PeJP	NA	NA
+PJ056292	CCNKMMM 	C31H57N9O9S5	859.2883	NA	PeJP	NA	NA
+PJ056293	SSDEEMY 	C34H49N7O17S	859.2906	NA	PeJP	NA	NA
+PJ056294	SPCEMMY 	C35H53N7O12S3	859.2915	NA	PeJP	NA	NA
+PJ056295	GCNDEHW 	C35H45N11O13S	859.2919	NA	PeJP	NA	NA
+PJ056296	GGGCDEHW 	C35H45N11O13S	859.292	NA	PeJP	NA	NA
+PJ056297	MMMMMW 	C36H57N7O7S5	859.2923	NA	PeJP	NA	NA
+PJ056298	GSSNDDEH 	C31H45N11O18	859.2944	NA	PeJP	NA	NA
+PJ056299	GGGSTDDDH 	C31H45N11O18	859.2945	NA	PeJP	NA	NA
+PJ056300	STEMMMM 	C32H57N7O12S4	859.2948	NA	PeJP	NA	NA
+PJ056301	SCCNDRY 	C32H49N11O13S2	859.2953	NA	PeJP	NA	NA
+PJ056302	ACMMMHH 	C33H53N11O8S4	859.2962	NA	PeJP	NA	NA
+PJ056303	SCCHHHH 	C33H45N15O9S2	859.2966	NA	PeJP	NA	NA
+PJ056304	GNNDDYY 	C36H45N9O16	859.2985	NA	PeJP	NA	NA
+PJ056305	SSSSCCMR 	C29H53N11O13S3	859.2987	NA	PeJP	NA	NA
+PJ056306	GSCNMYW 	C37H49N9O11S2	859.2993	NA	PeJP	NA	NA
+PJ056307	GSSSNDMY 	C33H49N9O16S	859.3018	NA	PeJP	NA	NA
+PJ056308	GGGPPDDDM 	C33H49N9O16S	859.3019	NA	PeJP	NA	NA
+PJ056309	DDDFYW 	C41H45N7O14	859.3025	NA	PeJP	NA	NA
+PJ056310	GNNMMMY 	C34H53N9O11S3	859.3027	NA	PeJP	NA	NA
+PJ056311	PCDDHHH 	C34H45N13O12S	859.3032	NA	PeJP	NA	NA
+PJ056312	GSSSSSSMM 	C30H53N9O16S2	859.3052	NA	PeJP	NA	NA
+PJ056313	APCDEYY 	C38H49N7O14S	859.3058	NA	PeJP	NA	NA
+PJ056314	GPDDMYY 	C38H49N7O14S	859.3059	NA	PeJP	NA	NA
+PJ056315	GSTCCKMM 	C31H57N9O11S4	859.3061	NA	PeJP	NA	NA
+PJ056316	CNNNQMH 	C31H49N13O12S2	859.3065	NA	PeJP	NA	NA
+PJ056317	GGGGCNQMH 	C31H49N13O12S2	859.3066	NA	PeJP	NA	NA
+PJ056318	DMMMFW 	C39H53N7O9S3	859.3067	NA	PeJP	NA	NA
+PJ056319	CNDHWW 	C39H45N11O10S	859.3072	NA	PeJP	NA	NA
+PJ056320	GTEEMMY 	C35H53N7O14S2	859.3092	NA	PeJP	NA	NA
+PJ056321	SSNDDHW 	C35H45N11O15	859.3097	NA	PeJP	NA	NA
+PJ056322	GPMMMMY 	C36H57N7O9S4	859.3101	NA	PeJP	NA	NA
+PJ056323	SPCCQHW 	C36H49N11O10S2	859.3106	NA	PeJP	NA	NA
+PJ056324	SNNEEMH 	C32H49N11O15S	859.3131	NA	PeJP	NA	NA
+PJ056325	SVMMMMM 	C33H61N7O9S5	859.3135	NA	PeJP	NA	NA
+PJ056326	GCCQMRY 	C33H53N11O10S3	859.3139	NA	PeJP	NA	NA
+PJ056327	GGGAPCMMH 	C33H53N11O10S3	859.314	NA	PeJP	NA	NA
+PJ056328	GCCHFFF 	C41H49N9O8S2	859.3146	NA	PeJP	NA	NA
+PJ056329	SSSCQYW 	C37H49N9O13S	859.3171	NA	PeJP	NA	NA
+PJ056330	CCNNNHR 	C30H49N15O11S2	859.3178	NA	PeJP	NA	NA
+PJ056331	ACCCKFW 	C38H53N9O8S3	859.318	NA	PeJP	NA	NA
+PJ056332	SSSSSNEY 	C33H49N9O18	859.3196	NA	PeJP	NA	NA
+PJ056333	SSNQMMY 	C34H53N9O13S2	859.3204	NA	PeJP	NA	NA
+PJ056334	GGSSQMMY 	C34H53N9O13S2	859.3205	NA	PeJP	NA	NA
+PJ056335	GDEEHHH 	C34H45N13O14	859.3209	NA	PeJP	NA	NA
+PJ056336	PCEYYW 	C42H49N7O11S	859.3211	NA	PeJP	NA	NA
+PJ056337	SSSSSSSTM 	C30H53N9O18S	859.3229	NA	PeJP	NA	NA
+PJ056338	QEEEYY 	C38H49N7O16	859.3236	NA	PeJP	NA	NA
+PJ056339	SSSSCKMM 	C31H57N9O13S3	859.3238	NA	PeJP	NA	NA
+PJ056340	SCNDEHR 	C31H49N13O14S	859.3243	NA	PeJP	NA	NA
+PJ056341	TEMMYW 	C39H53N7O11S2	859.3245	NA	PeJP	NA	NA
+PJ056342	GCCCRRY 	C32H53N13O9S3	859.3252	NA	PeJP	NA	NA
+PJ056343	CMHHFW 	C40H49N11O7S2	859.3258	NA	PeJP	NA	NA
+PJ056344	STTEEMY 	C35H53N7O16S	859.327	NA	PeJP	NA	NA
+PJ056345	AVDMMMY 	C36H57N7O11S3	859.3278	NA	PeJP	NA	NA
+PJ056346	GVEMMMY 	C36H57N7O11S3	859.3279	NA	PeJP	NA	NA
+PJ056347	GSNEMHW 	C36H49N11O12S	859.3283	NA	PeJP	NA	NA
+PJ056348	PNDDDER 	C32H49N11O17	859.3308	NA	PeJP	NA	NA
+PJ056349	GGGGGGGSPEE 	C32H49N11O17	859.3309	NA	PeJP	NA	NA
+PJ056350	SSCNMRY 	C33H53N11O12S2	859.3317	NA	PeJP	NA	NA
+PJ056351	SNNDHHH 	C33H45N15O13	859.3322	NA	PeJP	NA	NA
+PJ056352	GPPCDWW 	C41H49N9O10S	859.3323	NA	PeJP	NA	NA
+PJ056353	GGGACFYW 	C41H49N9O10S	859.3324	NA	PeJP	NA	NA
+PJ056354	GSSSSSYW 	C37H49N9O15	859.3348	NA	PeJP	NA	NA
+PJ056355	GPNEEEW 	C37H49N9O15	859.3349	NA	PeJP	NA	NA
+PJ056356	GTCCKYW 	C38H53N9O10S2	859.3357	NA	PeJP	NA	NA
+PJ056357	DEHHHW 	C38H45N13O11	859.3362	NA	PeJP	NA	NA
+PJ056358	GSSSTQMY 	C34H53N9O15S	859.3382	NA	PeJP	NA	NA
+PJ056359	AEEYYW 	C42H49N7O13	859.3389	NA	PeJP	NA	NA
+PJ056360	EMMMRY 	C35H57N9O10S3	859.3391	NA	PeJP	NA	NA
+PJ056361	GSCDHRW 	C35H49N13O11S	859.3396	NA	PeJP	NA	NA
+PJ056362	PPCCFFF 	C43H53N7O8S2	859.3397	NA	PeJP	NA	NA
+PJ056363	SSSSNNQH 	C31H49N13O16	859.342	NA	PeJP	NA	NA
+PJ056364	GSSSDDHR 	C31H49N13O16	859.3421	NA	PeJP	NA	NA
+PJ056365	GPTEMYY 	C39H53N7O13S	859.3422	NA	PeJP	NA	NA
+PJ056366	GNDMMHR 	C32H53N13O11S2	859.3429	NA	PeJP	NA	NA
+PJ056367	GGGGGPPCCR 	C32H53N13O11S2	859.343	NA	PeJP	NA	NA
+PJ056368	VMMMYW 	C40H57N7O8S3	859.3431	NA	PeJP	NA	NA
+PJ056369	SNMHWW 	C40H49N11O9S	859.3436	NA	PeJP	NA	NA
+PJ056370	PVEEEEE 	C35H53N7O18	859.3447	NA	PeJP	NA	NA
+PJ056371	SSLEMMY 	C36H57N7O13S2	859.3456	NA	PeJP	NA	NA
+PJ056372	GPDDDRW 	C36H49N11O14	859.3461	NA	PeJP	NA	NA
+PJ056373	GLMMMMF 	C37H61N7O8S4	859.3465	NA	PeJP	NA	NA
+PJ056374	QQMMHW 	C37H53N11O9S2	859.3469	NA	PeJP	NA	NA
+PJ056375	GAQMMHW 	C37H53N11O9S2	859.347	NA	PeJP	NA	NA
+PJ056376	GSSSTCRY 	C33H53N11O14S	859.3494	NA	PeJP	NA	NA
+PJ056377	GSPPCDER 	C33H53N11O14S	859.3495	NA	PeJP	NA	NA
+PJ056378	PNEEWW 	C41H49N9O12	859.3501	NA	PeJP	NA	NA
+PJ056379	GCCKMRY 	C34H57N11O9S3	859.3503	NA	PeJP	NA	NA
+PJ056380	GNQMHHH 	C34H49N15O10S	859.3508	NA	PeJP	NA	NA
+PJ056381	NNNNNDR 	C30H49N15O15	859.3533	NA	PeJP	NA	NA
+PJ056382	SSSCKYW 	C38H53N9O12S	859.3535	NA	PeJP	NA	NA
+PJ056383	GCCEHRR 	C31H53N15O10S2	859.3542	NA	PeJP	NA	NA
+PJ056384	SSSSSDKY 	C34H53N9O17	859.356	NA	PeJP	NA	NA
+PJ056385	SSNKMMY 	C35H57N9O12S2	859.3568	NA	PeJP	NA	NA
+PJ056386	GAPPQEMM 	C35H57N9O12S2	859.3569	NA	PeJP	NA	NA
+PJ056387	GNNNQQW 	C35H49N13O13	859.3573	NA	PeJP	NA	NA
+PJ056388	GGGGGGGGGAAW 	C35H49N13O13	859.3574	NA	PeJP	NA	NA
+PJ056389	PTMYYW 	C43H53N7O10S	859.3575	NA	PeJP	NA	NA
+PJ056390	CQMHRW 	C36H53N13O8S2	859.3582	NA	PeJP	NA	NA
+PJ056391	KEEEYY 	C39H53N7O15	859.36	NA	PeJP	NA	NA
+PJ056392	SSNEMHR 	C32H53N13O13S	859.3607	NA	PeJP	NA	NA
+PJ056393	GPVMMYY 	C40H57N7O10S2	859.3609	NA	PeJP	NA	NA
+PJ056394	GSSTHWW 	C40H49N11O11	859.3613	NA	PeJP	NA	NA
+PJ056395	GGGGGSPWW 	C40H49N11O11	859.3614	NA	PeJP	NA	NA
+PJ056396	GCNHHHR 	C33H49N17O9S	859.362	NA	PeJP	NA	NA
+PJ056397	ATLMMMY 	C37H61N7O10S3	859.3642	NA	PeJP	NA	NA
+PJ056398	SPPCDRW 	C37H53N11O11S	859.3647	NA	PeJP	NA	NA
+PJ056399	GPEWWW 	C45H49N9O9	859.3654	NA	PeJP	NA	NA
+PJ056400	SSSSSSRY 	C33H53N11O16	859.3672	NA	PeJP	NA	NA
+PJ056401	STCCKRY 	C34H57N11O11S2	859.3681	NA	PeJP	NA	NA
+PJ056402	SSQQHHH 	C34H49N15O12	859.3685	NA	PeJP	NA	NA
+PJ056403	GGSTQHHH 	C34H49N15O12	859.3686	NA	PeJP	NA	NA
+PJ056404	GSPPMWW 	C42H53N9O9S	859.3687	NA	PeJP	NA	NA
+PJ056405	CCHRRW 	C35H53N15O7S2	859.3694	NA	PeJP	NA	NA
+PJ056406	GPDKEEW 	C38H53N9O14	859.3712	NA	PeJP	NA	NA
+PJ056407	GGGAPPEEF 	C38H53N9O14	859.3713	NA	PeJP	NA	NA
+PJ056408	SSCDHRR 	C31H53N15O12S	859.3719	NA	PeJP	NA	NA
+PJ056409	APPQMMW 	C39H57N9O9S2	859.3721	NA	PeJP	NA	NA
+PJ056410	GPEHHHF 	C39H49N13O10	859.3726	NA	PeJP	NA	NA
+PJ056411	GSSSTKMY 	C35H57N9O14S	859.3746	NA	PeJP	NA	NA
+PJ056412	SLEYYW 	C43H53N7O12	859.3752	NA	PeJP	NA	NA
+PJ056413	AAPEFYY 	C43H53N7O12	859.3753	NA	PeJP	NA	NA
+PJ056414	GCKKMMY 	C36H61N9O9S3	859.3755	NA	PeJP	NA	NA
+PJ056415	GSSMHRW 	C36H53N13O10S	859.3759	NA	PeJP	NA	NA
+PJ056416	GGGPCQRW 	C36H53N13O10S	859.376	NA	PeJP	NA	NA
+PJ056417	VMMFFW 	C44H57N7O7S2	859.3761	NA	PeJP	NA	NA
+PJ056418	GQHFWW 	C44H49N11O8	859.3766	NA	PeJP	NA	NA
+PJ056419	GSSSTEHR 	C32H53N13O15	859.3784	NA	PeJP	NA	NA
+PJ056420	SPDDDRR 	C32H53N13O15	859.3785	NA	PeJP	NA	NA
+PJ056421	AALEMYY 	C40H57N7O12S	859.3786	NA	PeJP	NA	NA
+PJ056422	PPCCERR 	C33H57N13O10S2	859.3793	NA	PeJP	NA	NA
+PJ056423	TCKHWW 	C41H53N11O8S	859.38	NA	PeJP	NA	NA
+PJ056424	PWWWW 	C49H49N9O6	859.3806	NA	PeJP	NA	NA
+PJ056425	TTTLMMY 	C37H61N7O12S2	859.382	NA	PeJP	NA	NA
+PJ056426	STTTQHW 	C37H53N11O13	859.3824	NA	PeJP	NA	NA
+PJ056427	GSPEERW 	C37H53N11O13	859.3825	NA	PeJP	NA	NA
+PJ056428	APPCMRW 	C38H57N11O8S2	859.3833	NA	PeJP	NA	NA
+PJ056429	APQEEMR 	C34H57N11O13S	859.3858	NA	PeJP	NA	NA
+PJ056430	GAAPEEMR 	C34H57N11O13S	859.3859	NA	PeJP	NA	NA
+PJ056431	PDKEWW 	C42H53N9O11	859.3865	NA	PeJP	NA	NA
+PJ056432	PPCNHHR 	C35H53N15O9S	859.3872	NA	PeJP	NA	NA
+PJ056433	PHHHFW 	C43H49N13O7	859.3878	NA	PeJP	NA	NA
+PJ056434	GNNDERR 	C31H53N15O14	859.3897	NA	PeJP	NA	NA
+PJ056435	QQKMYY 	C39H57N9O11S	859.3898	NA	PeJP	NA	NA
+PJ056436	GPLQEMW 	C39H57N9O11S	859.3899	NA	PeJP	NA	NA
+PJ056437	PTFFYW 	C47H53N7O9	859.3905	NA	PeJP	NA	NA
+PJ056438	GTCMHRR 	C32H57N15O9S2	859.3906	NA	PeJP	NA	NA
+PJ056439	LMHHHW 	C40H53N13O7S	859.3912	NA	PeJP	NA	NA
+PJ056440	SSSSTTKY 	C35H57N9O16	859.3923	NA	PeJP	NA	NA
+PJ056441	PTQKEEE 	C35H57N9O16	859.3924	NA	PeJP	NA	NA
+PJ056442	STCKKMY 	C36H61N9O11S2	859.3932	NA	PeJP	NA	NA
+PJ056443	SSSTHRW 	C36H53N13O12	859.3937	NA	PeJP	NA	NA
+PJ056444	VVMYYW 	C44H57N7O9S	859.3939	NA	PeJP	NA	NA
+PJ056445	CKMHRW 	C37H57N13O7S2	859.3946	NA	PeJP	NA	NA
+PJ056446	GVHHHHH 	C37H49N17O8	859.3951	NA	PeJP	NA	NA
+PJ056447	ATTLEYY 	C40H57N7O14	859.3964	NA	PeJP	NA	NA
+PJ056448	GPDEMRR 	C33H57N13O12S	859.3971	NA	PeJP	NA	NA
+PJ056449	ACLLMFY 	C41H61N7O9S2	859.3972	NA	PeJP	NA	NA
+PJ056450	GVLMMFY 	C41H61N7O9S2	859.3973	NA	PeJP	NA	NA
+PJ056451	SPERWW 	C41H53N11O10	859.3977	NA	PeJP	NA	NA
+PJ056452	PLLEEEM 	C37H61N7O14S	859.3998	NA	PeJP	NA	NA
+PJ056453	AAPEMRW 	C38H57N11O10S	859.4011	NA	PeJP	NA	NA
+PJ056454	SPVWWW 	C46H53N9O8	859.4017	NA	PeJP	NA	NA
+PJ056455	GAPPFWW 	C46H53N9O8	859.4018	NA	PeJP	NA	NA
+PJ056456	GLQEEER 	C34H57N11O15	859.4036	NA	PeJP	NA	NA
+PJ056457	PPTQMMR 	C35H61N11O10S2	859.4045	NA	PeJP	NA	NA
+PJ056458	NNDRRW 	C35H53N15O11	859.4049	NA	PeJP	NA	NA
+PJ056459	GGGGDRRW 	C35H53N15O11	859.405	NA	PeJP	NA	NA
+PJ056460	PLQMWW 	C43H57N9O8S	859.4051	NA	PeJP	NA	NA
+PJ056461	HHHHHR 	C36H49N19O7	859.4063	NA	PeJP	NA	NA
+PJ056462	APTKEEW 	C39H57N9O13	859.4076	NA	PeJP	NA	NA
+PJ056463	SSSMHRR 	C32H57N15O11S	859.4083	NA	PeJP	NA	NA
+PJ056464	APPKMMW 	C40H61N9O8S2	859.4085	NA	PeJP	NA	NA
+PJ056465	GQQRWW 	C40H53N13O9	859.409	NA	PeJP	NA	NA
+PJ056466	PVQKEEM 	C36H61N9O13S	859.411	NA	PeJP	NA	NA
+PJ056467	AAPLYYY 	C44H57N7O11	859.4116	NA	PeJP	NA	NA
+PJ056468	VVLMMMH 	C37H65N9O8S3	859.4119	NA	PeJP	NA	NA
+PJ056469	PDMRRW 	C37H57N13O9S	859.4123	NA	PeJP	NA	NA
+PJ056470	GKHFWW 	C45H53N11O7	859.413	NA	PeJP	NA	NA
+PJ056471	AAEEERR 	C33H57N13O14	859.4148	NA	PeJP	NA	NA
+PJ056472	GGGGAKEER 	C33H57N13O14	859.4149	NA	PeJP	NA	NA
+PJ056473	GTLLMYY 	C41H61N7O11S	859.415	NA	PeJP	NA	NA
+PJ056474	PPTCMRR 	C34H61N13O9S2	859.4157	NA	PeJP	NA	NA
+PJ056475	PCLRWW 	C42H57N11O7S	859.4164	NA	PeJP	NA	NA
+PJ056476	VLLEEEE 	C37H61N7O16	859.4175	NA	PeJP	NA	NA
+PJ056477	APTTERW 	C38H57N11O12	859.4188	NA	PeJP	NA	NA
+PJ056478	LQEERW 	C38H57N11O12	859.4189	NA	PeJP	NA	NA
+PJ056479	KKMMHW 	C39H61N11O7S2	859.4197	NA	PeJP	NA	NA
+MJ096382	Akitamycin 	C41H65NO18	859.420164	NA	MeJP	NA	NA
+PJ056480	PQHHRW 	C39H53N15O8	859.4202	NA	PeJP	NA	NA
+PJ056481	APKEEMR 	C35H61N11O12S	859.4222	NA	PeJP	NA	NA
+PJ056482	GGGGGGAALLM 	C35H61N11O12S	859.4223	NA	PeJP	NA	NA
+PJ056483	VLQEWW 	C43H57N9O10	859.4229	NA	PeJP	NA	NA
+PJ056484	NMHFRR 	C36H57N15O8S	859.4236	NA	PeJP	NA	NA
+PJ056485	DEERRR 	C32H57N15O13	859.4261	NA	PeJP	NA	NA
+PJ056486	APVKEMW 	C40H61N9O10S	859.4262	NA	PeJP	NA	NA
+PJ056487	GPLKEMW 	C40H61N9O10S	859.4263	NA	PeJP	NA	NA
+PJ056488	VVFFYW 	C48H57N7O8	859.4269	NA	PeJP	NA	NA
+PJ056489	VVQKEEE 	C36H61N9O15	859.4287	NA	PeJP	NA	NA
+PJ056490	PTKKEEE 	C36H61N9O15	859.4288	NA	PeJP	NA	NA
+PJ056491	PPKKEMM 	C37H65N9O10S2	859.4296	NA	PeJP	NA	NA
+PJ056492	VDERRW 	C37H57N13O11	859.4301	NA	PeJP	NA	NA
+PJ056493	GVLMFFF 	C45H61N7O8S	859.4303	NA	PeJP	NA	NA
+PJ056494	STTLLYY 	C41H61N7O13	859.4328	NA	PeJP	NA	NA
+PJ056495	STTKMHR 	C34H61N13O11S	859.4334	NA	PeJP	NA	NA
+PJ056496	APTEMRR 	C34H61N13O11S	859.4335	NA	PeJP	NA	NA
+PJ056497	ALERWW 	C42H57N11O9	859.4341	NA	PeJP	NA	NA
+PJ056498	GSNDRRR 	C31H57N17O12	859.4373	NA	PeJP	NA	NA
+PJ056499	GPTLMRW 	C39H61N11O9S	859.4375	NA	PeJP	NA	NA
+PJ056500	GLLWWW 	C47H57N9O7	859.4381	NA	PeJP	NA	NA
+PJ056501	GLKEEER 	C35H61N11O14	859.44	NA	PeJP	NA	NA
+PJ056502	PPTKMMR 	C36H65N11O9S2	859.4408	NA	PeJP	NA	NA
+PJ056503	PVVQMMR 	C36H65N11O9S2	859.4409	NA	PeJP	NA	NA
+PJ056504	SQQRRW 	C36H57N15O10	859.4413	NA	PeJP	NA	NA
+PJ056505	PLKMWW 	C44H61N9O7S	859.4415	NA	PeJP	NA	NA
+PJ056506	GVLKEEW 	C40H61N9O12	859.444	NA	PeJP	NA	NA
+PJ056507	AAQQMRR 	C33H61N15O10S	859.4447	NA	PeJP	NA	NA
+PJ056508	GQKRWW 	C41H57N13O8	859.4453	NA	PeJP	NA	NA
+PJ056509	GGAKRWW 	C41H57N13O8	859.4454	NA	PeJP	NA	NA
+PJ056510	PVKKEEM 	C37H65N9O12S	859.4474	NA	PeJP	NA	NA
+PJ056511	AALLFYY 	C45H61N7O10	859.448	NA	PeJP	NA	NA
+PJ056512	GPPMFRR 	C38H61N13O8S	859.4487	NA	PeJP	NA	NA
+PJ056513	GTLEERR 	C34H61N13O13	859.4512	NA	PeJP	NA	NA
+PJ056514	GPLMMRR 	C35H65N13O8S2	859.4521	NA	PeJP	NA	NA
+PJ056515	GPTHHRR 	C35H57N17O9	859.4526	NA	PeJP	NA	NA
+PJ056516	LKEERW 	C39H61N11O11	859.4552	NA	PeJP	NA	NA
+PJ056517	GGGVKKEW 	C39H61N11O11	859.4553	NA	PeJP	NA	NA
+PJ056518	NQMRRR 	C32H61N17O9S	859.4559	NA	PeJP	NA	NA
+PJ056519	PKHHRW 	C40H57N15O7	859.4566	NA	PeJP	NA	NA
+PJ056520	SPLKEMR 	C36H65N11O11S	859.4586	NA	PeJP	NA	NA
+PJ056521	VLKEWW 	C44H61N9O9	859.4593	NA	PeJP	NA	NA
+PJ056522	ASNKERR 	C33H61N15O12	859.4624	NA	PeJP	NA	NA
+PJ056523	GSQKERR 	C33H61N15O12	859.4625	NA	PeJP	NA	NA
+PJ056524	SPVLKMW 	C41H65N9O9S	859.4626	NA	PeJP	NA	NA
+PJ056525	VVKKEEE 	C37H65N9O14	859.4651	NA	PeJP	NA	NA
+PJ056526	PLLQKMM 	C38H69N9O9S2	859.466	NA	PeJP	NA	NA
+PJ056527	TLERRW 	C38H61N13O10	859.4665	NA	PeJP	NA	NA
+7666	ACE inhibitor from b-CN (191-197)	LLYQQPV	859.467	antioxidative	Inhouse_peptide	NA	peptide
+PJ056528	CNRRRR 	C31H61N19O8S	859.4672	NA	PeJP	NA	NA
+PJ056529	PLLLEEF 	C42H65N7O12	859.4692	NA	PeJP	NA	NA
+PJ056530	AVVEMRR 	C35H65N13O10S	859.4698	NA	PeJP	NA	NA
+PJ056531	GVLEMRR 	C35H65N13O10S	859.4699	NA	PeJP	NA	NA
+PJ056532	SLLRWW 	C43H61N11O8	859.4705	NA	PeJP	NA	NA
+PJ056533	LLLLEEM 	C39H69N7O12S	859.4725	NA	PeJP	NA	NA
+PJ056534	GSTQRRR 	C32H61N17O11	859.4737	NA	PeJP	NA	NA
+PJ056535	AALLMRW 	C40H65N11O8S	859.4739	NA	PeJP	NA	NA
+PJ056536	SVLKEER 	C36H65N11O13	859.4764	NA	PeJP	NA	NA
+PJ056537	PVVKMMR 	C37H69N11O8S2	859.4772	NA	PeJP	NA	NA
+PJ056538	SQKRRW 	C37H61N15O9	859.4777	NA	PeJP	NA	NA
+PJ056539	ATLLKEW 	C41H65N9O11	859.4804	NA	PeJP	NA	NA
+PJ056540	LEMRRR 	C34H65N15O9S	859.4811	NA	PeJP	NA	NA
+PJ056541	GKKRWW 	C42H61N13O7	859.4817	NA	PeJP	NA	NA
+PJ056542	VLLQKEM 	C38H69N9O11S	859.4838	NA	PeJP	NA	NA
+PJ056543	VLMRRW 	C39H65N13O7S	859.4851	NA	PeJP	NA	NA
+PJ056544	SSLLERR 	C35H65N13O12	859.4876	NA	PeJP	NA	NA
+PJ056545	AALHHRR 	C36H61N17O8	859.4889	NA	PeJP	NA	NA
+PJ056546	GVVHHRR 	C36H61N17O8	859.489	NA	PeJP	NA	NA
+PJ056547	ATTLLRW 	C40H65N11O10	859.4916	NA	PeJP	NA	NA
+PJ056548	NKMRRR 	C33H65N17O8S	859.4923	NA	PeJP	NA	NA
+PJ056549	ALLKEMR 	C37H69N11O10S	859.495	NA	PeJP	NA	NA
+PJ056550	KKKFFY 	C45H65N9O8	859.4956	NA	PeJP	NA	NA
+PJ056551	GPLLKFW 	C45H65N9O8	859.4957	NA	PeJP	NA	NA
+PJ056552	GSKKERR 	C34H65N15O11	859.4988	NA	PeJP	NA	NA
+PJ056553	GLLLKMW 	C42H69N9O8S	859.499	NA	PeJP	NA	NA
+PJ056554	VHHRRR 	C35H61N19O7	859.5002	NA	PeJP	NA	NA
+PJ056555	TLLKKEE 	C38H69N9O13	859.5015	NA	PeJP	NA	NA
+PJ056556	PLLKKMM 	C39H73N9O8S2	859.5024	NA	PeJP	NA	NA
+PJ056557	DKKKRW 	C39H65N13O9	859.5029	NA	PeJP	NA	NA
+PJ056558	PLLLLEY 	C43H69N7O11	859.5055	NA	PeJP	NA	NA
+PJ056559	ATLLMRR 	C36H69N13O9S	859.5062	NA	PeJP	NA	NA
+PJ056560	GSTKRRR 	C33H65N17O10	859.5101	NA	PeJP	NA	NA
+PJ056561	TTLLKER 	C37H69N11O12	859.5127	NA	PeJP	NA	NA
+PJ056562	GSTTLLLR 	C37H69N11O12	859.5128	NA	PeJP	NA	NA
+PJ056563	SKKRRW 	C38H65N15O8	859.5141	NA	PeJP	NA	NA
+PJ056564	STLLLKW 	C42H69N9O10	859.5168	NA	PeJP	NA	NA
+PJ056565	AAKKMRR 	C35H69N15O8S	859.5175	NA	PeJP	NA	NA
+PJ056566	VLLKKEM 	C39H73N9O10S	859.5201	NA	PeJP	NA	NA
+PJ056567	LLLDKKM 	C39H73N9O10S	859.5202	NA	PeJP	NA	NA
+PJ056568	TTTLLRR 	C36H69N13O11	859.524	NA	PeJP	NA	NA
+PJ056569	GTLKKKW 	C41H69N11O9	859.528	NA	PeJP	NA	NA
+PJ056570	SLLLKMR 	C38H73N11O9S	859.5314	NA	PeJP	NA	NA
+PJ056571	ATTKKRR 	C35H69N15O10	859.5352	NA	PeJP	NA	NA
+PJ056572	SSSLLLLK 	C39H73N9O12	859.5379	NA	PeJP	NA	NA
+PJ056573	VVLKKHH 	C40H69N13O8	859.5392	NA	PeJP	NA	NA
+PJ056574	GVLLFRR 	C40H69N13O8	859.5393	NA	PeJP	NA	NA
+PJ056575	LLLLLEF 	C44H73N7O10	859.5419	NA	PeJP	NA	NA
+PJ056576	GLKKKMR 	C37H73N13O8S	859.5426	NA	PeJP	NA	NA
+PJ056577	SLKKKKE 	C38H73N11O11	859.5491	NA	PeJP	NA	NA
+PJ056578	LLFRRR 	C39H69N15O7	859.5505	NA	PeJP	NA	NA
+PJ056579	PVLLKKY 	C43H73N9O9	859.5532	NA	PeJP	NA	NA
+PJ056580	STLKKKR 	C37H73N13O10	859.5604	NA	PeJP	NA	NA
+PJ056581	ALLLKFR 	C42H73N11O8	859.5644	NA	PeJP	NA	NA
+PJ056582	VVKKKKM 	C39H77N11O8S	859.5678	NA	PeJP	NA	NA
+PJ056583	LLLLLLY 	C45H77N7O9	859.5783	NA	PeJP	NA	NA
+PJ056584	VLLLKKF 	C44H77N9O8	859.5896	NA	PeJP	NA	NA
+HMDB04867	Lactosylceramide (d18:1/9Z-18:1)	C46H85NO13	859.60211	http://www.hmdb.ca/metabolites/HMDB04867	HMDB	NA	NA
+HMDB04867	Lactosylceramide (d18:1/9Z-18:1)	C46H85NO13	859.60211	HMDB04867	PFEM_hmdb_metabocards_official	NA	NA
+HMDB08321	PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08352	PC(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08353	PC(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08384	PC(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08416	PC(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08514	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08609	PC(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08638	PC(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08639	PC(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08670	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08703	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+HMDB08735	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	C50H86NO8P	859.609131	NA	HMDB2010	NA	NA
+EUR987	PC 38:2 [M+FA-H]-	C46H88NO8P	859.629637	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR987	PC 38:2 [M+FA-H]-	C46H88NO8P	859.629637	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR987	PC 38:2 [M+FA-H]-	C46H88NO8P	859.629637	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR987	PC 38:2 [M+FA-H]-	C46H88NO8P	859.629637	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1135	SM(d18:1/26:3) [M+Na]+	C49H94N2O6P	859.666897	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1135	SM(d18:1/26:3) [M+Na]+	C49H94N2O6P	859.666897	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1135	SM(d18:1/26:3) [M+Na]+	C49H94N2O6P	859.666897	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1135	SM(d18:1/26:3) [M+Na]+	C49H94N2O6P	859.666897	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1122	SM(d18:1/24:1) [M+FA-H]-	C47H94N2O6P	859.689831	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1122	SM(d18:1/24:1) [M+FA-H]-	C47H94N2O6P	859.689831	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1122	SM(d18:1/24:1) [M+FA-H]-	C47H94N2O6P	859.689831	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1122	SM(d18:1/24:1) [M+FA-H]-	C47H94N2O6P	859.689831	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09244	PE(20:0/24:0)	C49H98NO8P	859.703003	NA	HMDB2010	NA	NA
+HMDB09501	PE(22:0/22:0)	C49H98NO8P	859.703003	NA	HMDB2010	NA	NA
+HMDB09724	PE(24:0/20:0)	C49H98NO8P	859.703003	NA	HMDB2010	NA	NA
+MJ096383	2-Amino-16-methyl-1,3,4-octadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-?-D-galactopyranoside 	C49H97NO10	859.711248	NA	MeJP	NA	NA
+HMDB13423	PC(o-18:0/24:0)	C50H102NO7P	859.73938	NA	HMDB2010	NA	NA
+HMDB13443	PC(o-20:0/22:0)	C50H102NO7P	859.73938	NA	HMDB2010	NA	NA
+PJ056585	SCCCCCCH 	C27H44N10O10S6	860.1567	NA	PeJP	NA	NA
+PJ056586	PCCCCCDD 	C28H44N8O13S5	860.1632	NA	PeJP	NA	NA
+PJ056587	GCCCDDDM 	C28H44N8O15S4	860.1809	NA	PeJP	NA	NA
+PJ056588	SCCCCNND 	C27H44N10O14S4	860.1922	NA	PeJP	NA	NA
+PJ056589	CCCCDEW 	C32H44N8O12S4	860.1962	NA	PeJP	NA	NA
+PJ056590	SSCCCDDE 	C28H44N8O17S3	860.1987	NA	PeJP	NA	NA
+PJ056591	SPCCCCDM 	C29H48N8O12S5	860.1996	NA	PeJP	NA	NA
+PJ056592	GCCCCNQM 	C28H48N10O11S5	860.2108	NA	PeJP	NA	NA
+PJ056593	GSCCDDMM 	C29H48N8O14S4	860.2173	NA	PeJP	NA	NA
+PJ056594	APCCCCMM 	C30H52N8O9S6	860.2182	NA	PeJP	NA	NA
+PJ056595	GCCCCCNR 	C27H48N12O10S5	860.222	NA	PeJP	NA	NA
+PJ056596	SSCCCNNM 	C28H48N10O13S4	860.2285	NA	PeJP	NA	NA
+PJ056597	GGSSCCCNM 	C28H48N10O13S4	860.2286	NA	PeJP	NA	NA
+PJ056598	CCNDDEY 	C32H44N8O16S2	860.2317	NA	PeJP	NA	NA
+PJ056599	SCCCEMW 	C33H48N8O11S4	860.2326	NA	PeJP	NA	NA
+PJ056600	SSSCCDEM 	C29H48N8O16S3	860.2351	NA	PeJP	NA	NA
+PJ056601	CCNEMMM 	C30H52N8O11S5	860.2359	NA	PeJP	NA	NA
+PJ056602	GGCCEMMM 	C30H52N8O11S5	860.236	NA	PeJP	NA	NA
+PJ056603	GSCCCDHH 	C30H44N12O12S3	860.2364	NA	PeJP	NA	NA
+MJ096384	Astragalin; 7-O-[6-O-Benzoyl-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C40H44O21	860.237508	NA	MeJP	NA	NA
+PJ056604	GPCCDDDH 	C31H44N10O15S2	860.243	NA	PeJP	NA	NA
+PJ056605	GSSSSCCCQ 	C28H48N10O15S3	860.2463	NA	PeJP	NA	NA
+PJ056606	GCCDDYW 	C36H44N8O13S2	860.247	NA	PeJP	NA	NA
+PJ056607	CCCDMMR 	C29H52N10O10S5	860.2472	NA	PeJP	NA	NA
+PJ056608	PCCCCFW 	C37H48N8O8S4	860.2478	NA	PeJP	NA	NA
+PJ056609	GSSCDDDY 	C32H44N8O18S	860.2495	NA	PeJP	NA	NA
+PJ056610	GSPCCCEY 	C33H48N8O13S3	860.2503	NA	PeJP	NA	NA
+PJ056611	GCCMMMW 	C34H52N8O8S5	860.2512	NA	PeJP	NA	NA
+PJ056612	GSSCDMMM 	C30H52N8O13S4	860.2537	NA	PeJP	NA	NA
+PJ056613	CCCQMHH 	C31H48N12O9S4	860.255	NA	PeJP	NA	NA
+PJ056614	GACCCMHH 	C31H48N12O9S4	860.2551	NA	PeJP	NA	NA
+PJ056615	NDDDDMH 	C31H44N10O17S	860.2607	NA	PeJP	NA	NA
+PJ056616	CCNNNMY 	C32H48N10O12S3	860.2616	NA	PeJP	NA	NA
+PJ056617	SSSSSSCCN 	C28H48N10O17S2	860.264	NA	PeJP	NA	NA
+PJ056618	GGSSSSSSCC 	C28H48N10O17S2	860.2641	NA	PeJP	NA	NA
+PJ056619	SSCCCCQK 	C29H52N10O12S4	860.2649	NA	PeJP	NA	NA
+PJ056620	SPCCCYW 	C37H48N8O10S3	860.2656	NA	PeJP	NA	NA
+PJ056621	CCCCHHR 	C30H48N14O8S4	860.2663	NA	PeJP	NA	NA
+PJ056622	SCNDEMY 	C33H48N8O15S2	860.2681	NA	PeJP	NA	NA
+PJ056623	STCCMMW 	C34H52N8O10S4	860.2689	NA	PeJP	NA	NA
+PJ056624	GGPCCMMY 	C34H52N8O10S4	860.269	NA	PeJP	NA	NA
+PJ056625	SSSSCEMM 	C30H52N8O15S3	860.2715	NA	PeJP	NA	NA
+PJ056626	GSCNNDDH 	C30H44N12O16S	860.2719	NA	PeJP	NA	NA
+PJ056627	GGGGGSCDDH 	C30H44N12O16S	860.272	NA	PeJP	NA	NA
+PJ056628	SCQMMMM 	C31H56N8O10S5	860.2723	NA	PeJP	NA	NA
+PJ056629	GSSCCMHH 	C31H48N12O11S3	860.2728	NA	PeJP	NA	NA
+MJ096385	Catalpol; 6-O-[2,3-Bis(4-hydroxy-3-methoxy-E-cinnamoyl)-?-L-rhamnopyranoside] 	C41H48O20	860.273893	NA	MeJP	NA	NA
+PJ056630	GCDDEHW 	C35H44N10O14S	860.276	NA	PeJP	NA	NA
+PJ056631	GSSDDDEH 	C31H44N10O19	860.2785	NA	PeJP	NA	NA
+PJ056632	SCCDDRY 	C32H48N10O14S2	860.2793	NA	PeJP	NA	NA
+PJ056633	APPCCCMH 	C33H52N10O9S4	860.2802	NA	PeJP	NA	NA
+PJ056634	GNDDDYY 	C36H44N8O17	860.2825	NA	PeJP	NA	NA
+PJ056635	GSSSSCCCK 	C29H52N10O14S3	860.2827	NA	PeJP	NA	NA
+PJ056636	GSCDMYW 	C37H48N8O12S2	860.2833	NA	PeJP	NA	NA
+PJ056637	GGPCCDFY 	C37H48N8O12S2	860.2834	NA	PeJP	NA	NA
+PJ056638	SCCMMMR 	C30H56N10O9S5	860.2836	NA	PeJP	NA	NA
+PJ056639	GSSSDDMY 	C33H48N8O17S	860.2858	NA	PeJP	NA	NA
+PJ056640	GPPDDDDM 	C33H48N8O17S	860.2859	NA	PeJP	NA	NA
+PJ056641	GNDMMMY 	C34H52N8O12S3	860.2867	NA	PeJP	NA	NA
+PJ056642	CCFYYY 	C42H48N6O10S2	860.2874	NA	PeJP	NA	NA
+PJ056643	GSSSMMMM 	C31H56N8O12S4	860.2901	NA	PeJP	NA	NA
+PJ056644	SSSTCCHH 	C31H48N12O13S2	860.2906	NA	PeJP	NA	NA
+PJ056645	CDDHWW 	C39H44N10O11S	860.2912	NA	PeJP	NA	NA
+PJ056646	CCCKMHH 	C32H52N12O8S4	860.2914	NA	PeJP	NA	NA
+PJ056647	SSDDDHW 	C35H44N10O16	860.2937	NA	PeJP	NA	NA
+PJ056648	SPCCEHW 	C36H48N10O11S2	860.2946	NA	PeJP	NA	NA
+PJ056649	SSSSCNNY 	C32H48N10O16S	860.2971	NA	PeJP	NA	NA
+PJ056650	ACCDMRY 	C33H52N10O11S3	860.2979	NA	PeJP	NA	NA
+PJ056651	GCCEMRY 	C33H52N10O11S3	860.298	NA	PeJP	NA	NA
+PJ056652	TCCYWW 	C41H48N8O9S2	860.2986	NA	PeJP	NA	NA
+PJ056653	SSSCEYW 	C37H48N8O14S	860.3011	NA	PeJP	NA	NA
+PJ056654	SSCCCCKK 	C30H56N10O11S4	860.3013	NA	PeJP	NA	NA
+PJ056655	CCNNDHR 	C30H48N14O12S2	860.3018	NA	PeJP	NA	NA
+PJ056656	CQMMYW 	C38H52N8O9S3	860.302	NA	PeJP	NA	NA
+PJ056657	SSSSSDEY 	C33H48N8O19	860.3036	NA	PeJP	NA	NA
+PJ056658	SSNEMMY 	C34H52N8O14S2	860.3045	NA	PeJP	NA	NA
+PJ056659	SCYYYY 	C42H48N6O12S	860.3051	NA	PeJP	NA	NA
+PJ056660	GNMMMMF 	C35H56N8O9S4	860.3053	NA	PeJP	NA	NA
+PJ056661	GGGMMMMF 	C35H56N8O9S4	860.3054	NA	PeJP	NA	NA
+PJ056662	GCNNMHW 	C35H48N12O10S2	860.3058	NA	PeJP	NA	NA
+PJ056663	EEEEYY 	C38H48N6O17	860.3076	NA	PeJP	NA	NA
+PJ056664	SSSSTMMM 	C31H56N8O14S3	860.3078	NA	PeJP	NA	NA
+PJ056665	SCDDEHR 	C31H48N12O15S	860.3083	NA	PeJP	NA	NA
+PJ056666	GGGGGGGGGPCE 	C31H48N12O15S	860.3084	NA	PeJP	NA	NA
+PJ056667	SCKMMMM 	C32H60N8O9S5	860.3087	NA	PeJP	NA	NA
+PJ056668	PCCDMHR 	C32H52N12O10S3	860.3092	NA	PeJP	NA	NA
+PJ056669	GSDEMHW 	C36H48N10O13S	860.3123	NA	PeJP	NA	NA
+PJ056670	GGGGGGACYY 	C36H48N10O13S	860.3124	NA	PeJP	NA	NA
+PJ056671	CCMRYW 	C37H52N10O8S3	860.3132	NA	PeJP	NA	NA
+PJ056672	PDDDDER 	C32H48N10O18	860.3148	NA	PeJP	NA	NA
+PJ056673	GGGSPNDEE 	C32H48N10O18	860.3149	NA	PeJP	NA	NA
+PJ056674	SSCDMRY 	C33H52N10O13S2	860.3157	NA	PeJP	NA	NA
+PJ056675	SNDDHHH 	C33H44N14O14	860.3162	NA	PeJP	NA	NA
+PJ056676	CNEFYW 	C41H48N8O11S	860.3164	NA	PeJP	NA	NA
+PJ056677	ACCMMFR 	C34H56N10O8S4	860.3166	NA	PeJP	NA	NA
+PJ056678	PCCQHHH 	C34H48N14O9S2	860.3171	NA	PeJP	NA	NA
+PJ056679	GPDEEEW 	C37H48N8O16	860.3189	NA	PeJP	NA	NA
+PJ056680	GSSMMYW 	C38H52N8O11S2	860.3197	NA	PeJP	NA	NA
+PJ056681	GSSSTEMY 	C34H52N8O16S	860.3222	NA	PeJP	NA	NA
+PJ056682	GTQMMMY 	C35H56N8O11S3	860.3231	NA	PeJP	NA	NA
+PJ056683	SSCNQHW 	C35H48N12O12S	860.3236	NA	PeJP	NA	NA
+PJ056684	SSSSNNEH 	C31H48N12O17	860.3261	NA	PeJP	NA	NA
+PJ056685	GCEEMHR 	C32H52N12O12S2	860.3269	NA	PeJP	NA	NA
+PJ056686	GDDMMHR 	C32H52N12O12S2	860.327	NA	PeJP	NA	NA
+PJ056687	SDMHWW 	C40H48N10O10S	860.3276	NA	PeJP	NA	NA
+PJ056688	SSSEEHW 	C36H48N10O15	860.3301	NA	PeJP	NA	NA
+PJ056689	QEMMHW 	C37H52N10O10S2	860.331	NA	PeJP	NA	NA
+PJ056690	GCFYWW 	C45H48N8O8S	860.3316	NA	PeJP	NA	NA
+PJ056691	STQEEMH 	C33H52N10O15S	860.3335	NA	PeJP	NA	NA
+PJ056692	PDEEWW 	C41H48N8O13	860.3341	NA	PeJP	NA	NA
+PJ056693	GTCMMRY 	C34H56N10O10S3	860.3343	NA	PeJP	NA	NA
+PJ056694	GGPPPCCCK 	C34H56N10O10S3	860.3344	NA	PeJP	NA	NA
+PJ056695	GNEMHHH 	C34H48N14O11S	860.3348	NA	PeJP	NA	NA
+PJ056696	CQMFFW 	C42H52N8O8S2	860.335	NA	PeJP	NA	NA
+PJ056697	NNNNDDR 	C30H48N14O16	860.3373	NA	PeJP	NA	NA
+PJ056698	GGGGGGGGGGGGAS 	C30H48N14O16	860.3374	NA	PeJP	NA	NA
+PJ056699	SSSTMYW 	C38H52N8O13S	860.3375	NA	PeJP	NA	NA
+PJ056700	SCNNMHR 	C31H52N14O11S2	860.3382	NA	PeJP	NA	NA
+PJ056701	CKMMYW 	C39H56N8O8S3	860.3384	NA	PeJP	NA	NA
+PJ056702	GCNHHFF 	C39H48N12O9S	860.3388	NA	PeJP	NA	NA
+PJ056703	SSSSTTEY 	C34H52N8O18	860.34	NA	PeJP	NA	NA
+PJ056704	STTQMMY 	C35H56N8O13S2	860.3408	NA	PeJP	NA	NA
+PJ056705	SSDKMMY 	C35H56N8O13S2	860.3409	NA	PeJP	NA	NA
+PJ056706	GSSSSNHW 	C35H48N12O14	860.3413	NA	PeJP	NA	NA
+PJ056707	GGGGGGGQEW 	C35H48N12O14	860.3414	NA	PeJP	NA	NA
+PJ056708	ACKMMMF 	C36H60N8O8S4	860.3417	NA	PeJP	NA	NA
+PJ056709	CEMHRW 	C36H52N12O9S2	860.3422	NA	PeJP	NA	NA
+PJ056710	SSDEMHR 	C32H52N12O14S	860.3447	NA	PeJP	NA	NA
+MJ096386	Pacidamycin 6 	C40H48N10O12	860.345317	NA	MeJP	NA	NA
+PJ056711	GSPNDWW 	C40H48N10O12	860.3454	NA	PeJP	NA	NA
+PJ056712	SPCMMHR 	C33H56N12O9S3	860.3456	NA	PeJP	NA	NA
+PJ056713	GCDHHHR 	C33H48N16O10S	860.346	NA	PeJP	NA	NA
+PJ056714	AMMHWW 	C41H52N10O7S2	860.3462	NA	PeJP	NA	NA
+PJ056715	GTTEMHW 	C37H52N10O12S	860.3487	NA	PeJP	NA	NA
+PJ056716	GSYYWW 	C45H48N8O10	860.3494	NA	PeJP	NA	NA
+PJ056717	NMHHHW 	C38H48N14O8S	860.3501	NA	PeJP	NA	NA
+PJ056718	SPDEEER 	C33H52N10O17	860.3512	NA	PeJP	NA	NA
+PJ056719	GGGGGGLEEE 	C33H52N10O17	860.3513	NA	PeJP	NA	NA
+PJ056720	SSSMMRY 	C34H56N10O12S2	860.3521	NA	PeJP	NA	NA
+PJ056721	SSQEHHH 	C34H48N14O13	860.3526	NA	PeJP	NA	NA
+PJ056722	AQMYYW 	C42H52N8O10S	860.3527	NA	PeJP	NA	NA
+PJ056723	GGAPCFFY 	C42H52N8O10S	860.3528	NA	PeJP	NA	NA
+PJ056724	PCCKHHH 	C35H52N14O8S2	860.3534	NA	PeJP	NA	NA
+PJ056725	APTEEEW 	C38H52N8O15	860.3552	NA	PeJP	NA	NA
+PJ056726	PVTDDEW 	C38H52N8O15	860.3553	NA	PeJP	NA	NA
+MJ096387	Naphthomycin I; Me ester 	C46H56N2O12S	860.355395	NA	MeJP	NA	NA
+PJ056727	GSSSCQHR 	C31H52N14O13S	860.3559	NA	PeJP	NA	NA
+PJ056728	GGGGGSPCNR 	C31H52N14O13S	860.356	NA	PeJP	NA	NA
+PJ056729	APPEMMW 	C39H56N8O10S2	860.3561	NA	PeJP	NA	NA
+PJ056730	NNNQWW 	C39H48N12O11	860.3566	NA	PeJP	NA	NA
+PJ056731	SSSSSLMY 	C35H56N8O15S	860.3586	NA	PeJP	NA	NA
+PJ056732	GTKMMMY 	C36H60N8O10S3	860.3595	NA	PeJP	NA	NA
+PJ056733	GPCNERW 	C36H52N12O11S	860.36	NA	PeJP	NA	NA
+PJ056734	GEHFWW 	C44H48N10O9	860.3606	NA	PeJP	NA	NA
+PJ056735	SSSSTQQH 	C32H52N12O16	860.3624	NA	PeJP	NA	NA
+PJ056736	GNQEEER 	C32H52N12O16	860.3625	NA	PeJP	NA	NA
+PJ056737	GTEMMHR 	C33H56N12O11S2	860.3633	NA	PeJP	NA	NA
+PJ056738	TTMHWW 	C41H52N10O9S	860.364	NA	PeJP	NA	NA
+PJ056739	STTTEHW 	C37H52N10O14	860.3665	NA	PeJP	NA	NA
+PJ056740	ATCLMHW 	C38H56N10O9S2	860.3673	NA	PeJP	NA	NA
+PJ056741	KEMMHW 	C38H56N10O9S2	860.3674	NA	PeJP	NA	NA
+PJ056742	GSTHHHW 	C38H48N14O10	860.3678	NA	PeJP	NA	NA
+PJ056743	SSPTTTMH 	C34H56N10O14S	860.3698	NA	PeJP	NA	NA
+PJ056744	APEEEMR 	C34H56N10O14S	860.3699	NA	PeJP	NA	NA
+PJ056745	SDKYYW 	C42H52N8O12	860.3705	NA	PeJP	NA	NA
+PJ056746	SPKMMMH 	C35H60N10O9S3	860.3707	NA	PeJP	NA	NA
+PJ056747	GCNQHFR 	C35H52N14O10S	860.3712	NA	PeJP	NA	NA
+PJ056748	CKMFFW 	C43H56N8O7S2	860.3714	NA	PeJP	NA	NA
+PJ056749	GNDDERR 	C31H52N14O15	860.3737	NA	PeJP	NA	NA
+PJ056750	GPLEEMW 	C39H56N8O12S	860.3739	NA	PeJP	NA	NA
+PJ056751	SCCQKHR 	C32H56N14O10S2	860.3746	NA	PeJP	NA	NA
+PJ056752	PCNRWW 	C40H52N12O8S	860.3752	NA	PeJP	NA	NA
+PJ056753	HFWWW 	C48H48N10O6	860.3759	NA	PeJP	NA	NA
+PJ056754	SSTTTTTY 	C35H56N8O17	860.3764	NA	PeJP	NA	NA
+PJ056755	STTKMMY 	C36H60N8O12S2	860.3772	NA	PeJP	NA	NA
+PJ056756	GSPPLEMM 	C36H60N8O12S2	860.3773	NA	PeJP	NA	NA
+PJ056757	NQEERW 	C36H52N12O13	860.3777	NA	PeJP	NA	NA
+PJ056758	GGGGGGGGAAPF 	C36H52N12O13	860.3778	NA	PeJP	NA	NA
+PJ056759	TMMHRW 	C37H56N12O8S2	860.3786	NA	PeJP	NA	NA
+PJ056760	STTEMHR 	C33H56N12O13S	860.3811	NA	PeJP	NA	NA
+PJ056761	VNQEWW 	C41H52N10O11	860.3817	NA	PeJP	NA	NA
+PJ056762	GGGGLEWW 	C41H52N10O11	860.3818	NA	PeJP	NA	NA
+PJ056763	GVMMMHR 	C34H60N12O8S3	860.382	NA	PeJP	NA	NA
+PJ056764	GSMHHHR 	C34H52N16O9S	860.3824	NA	PeJP	NA	NA
+PJ056765	HHHHFF 	C42H48N14O7	860.3831	NA	PeJP	NA	NA
+PJ056766	SSTLMHW 	C38H56N10O11S	860.3851	NA	PeJP	NA	NA
+PJ056767	PPEFWW 	C46H52N8O9	860.3858	NA	PeJP	NA	NA
+MJ096388	Holothurigenol; 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside], 4'-O-sulfate 	C41H64O17S	860.386421	NA	MeJP	NA	NA
+PJ056768	GLEEEER 	C34H56N10O16	860.3876	NA	PeJP	NA	NA
+PJ056769	PPTEMMR 	C35H60N10O11S2	860.3885	NA	PeJP	NA	NA
+PJ056770	GSNNQRW 	C35H52N14O12	860.3889	NA	PeJP	NA	NA
+PJ056771	NDDRRW 	C35H52N14O12	860.389	NA	PeJP	NA	NA
+PJ056772	PLEMWW 	C43H56N8O9S	860.3891	NA	PeJP	NA	NA
+PJ056773	GVLEEEW 	C39H56N8O14	860.3916	NA	PeJP	NA	NA
+PJ056774	SPCNERR 	C32H56N14O12S	860.3923	NA	PeJP	NA	NA
+PJ056775	GGGGGGGGVMR 	C32H56N14O12S	860.3924	NA	PeJP	NA	NA
+PJ056776	SPPLMMW 	C40H60N8O9S2	860.3925	NA	PeJP	NA	NA
+PJ056777	GQERWW 	C40H52N12O10	860.393	NA	PeJP	NA	NA
+PJ056778	MMMHRR 	C33H60N14O7S3	860.3932	NA	PeJP	NA	NA
+PJ056779	PVKEEEM 	C36H60N8O14S	860.395	NA	PeJP	NA	NA
+PJ056780	AAPPLMMM 	C37H64N8O9S3	860.3959	NA	PeJP	NA	NA
+PJ056781	GSPQMRW 	C37H56N12O10S	860.3963	NA	PeJP	NA	NA
+PJ056782	GGGPTMRW 	C37H56N12O10S	860.3964	NA	PeJP	NA	NA
+PJ056783	GVQWWW 	C45H52N10O8	860.397	NA	PeJP	NA	NA
+PJ056784	ATQQEER 	C33H56N12O15	860.3988	NA	PeJP	NA	NA
+PJ056785	GNKEEER 	C33H56N12O15	860.3989	NA	PeJP	NA	NA
+PJ056786	SSLMMHR 	C34H60N12O10S2	860.3997	NA	PeJP	NA	NA
+PJ056787	SSTHHHR 	C34H52N16O11	860.4002	NA	PeJP	NA	NA
+PJ056788	PNKMWW 	C42H56N10O8S	860.4004	NA	PeJP	NA	NA
+PJ056789	LEEERW 	C38H56N10O13	860.4029	NA	PeJP	NA	NA
+PJ056790	ACNNQRR 	C31H56N16O11S	860.4035	NA	PeJP	NA	NA
+PJ056791	GNNNMRR 	C31H56N16O11S	860.4036	NA	PeJP	NA	NA
+PJ056792	PPCCKKW 	C39H60N10O8S2	860.4037	NA	PeJP	NA	NA
+MJ096389	1,3,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H64O19	860.404179	NA	MeJP	NA	NA
+MJ096390	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C41H64O19	860.404179	NA	MeJP	NA	NA
+MJ096391	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-xylo-hexopyranoside] 	C41H64O19	860.404179	NA	MeJP	NA	NA
+MJ096392	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-ribo-hexopyranoside] 	C41H64O19	860.404179	NA	MeJP	NA	NA
+PJ056793	PEHHRW 	C39H52N14O9	860.4042	NA	PeJP	NA	NA
+PJ056794	SPLEEMR 	C35H60N10O13S	860.4062	NA	PeJP	NA	NA
+PJ056795	GGPDKKEM 	C35H60N10O13S	860.4063	NA	PeJP	NA	NA
+PJ056796	VLEEWW 	C43H56N8O11	860.4069	NA	PeJP	NA	NA
+PJ056797	PPVMMMR 	C36H64N10O8S3	860.4071	NA	PeJP	NA	NA
+PJ056798	GSPCRRW 	C36H56N14O9S	860.4076	NA	PeJP	NA	NA
+PJ056799	QRWWW 	C44H52N12O7	860.4082	NA	PeJP	NA	NA
+PJ056800	GSQEERR 	C32H56N14O14	860.4101	NA	PeJP	NA	NA
+PJ056801	ASVKMYY 	C40H60N8O11S	860.4102	NA	PeJP	NA	NA
+PJ056802	SPVLEMW 	C40H60N8O11S	860.4103	NA	PeJP	NA	NA
+PJ056803	APCQMRR 	C33H60N14O9S2	860.4109	NA	PeJP	NA	NA
+PJ056804	GPNMMRR 	C33H60N14O9S2	860.411	NA	PeJP	NA	NA
+PJ056805	CLHFRW 	C41H56N12O7S	860.4116	NA	PeJP	NA	NA
+PJ056806	VVKEEEE 	C36H60N8O16	860.4128	NA	PeJP	NA	NA
+PJ056807	PLLQEMM 	C37H64N8O11S2	860.4136	NA	PeJP	NA	NA
+PJ056808	NKEERW 	C37H56N12O12	860.4141	NA	PeJP	NA	NA
+PJ056809	QHHHFR 	C38H52N16O8	860.4154	NA	PeJP	NA	NA
+PJ056810	GAHHHFR 	C38H52N16O8	860.4155	NA	PeJP	NA	NA
+PJ056811	SPNKEMR 	C34H60N12O12S	860.4175	NA	PeJP	NA	NA
+PJ056812	VNKEWW 	C42H56N10O10	860.4181	NA	PeJP	NA	NA
+PJ056813	GSDDRRR 	C31H56N16O13	860.4213	NA	PeJP	NA	NA
+PJ056814	GPDKKMW 	C39H60N10O10S	860.4215	NA	PeJP	NA	NA
+PJ056815	PPLYWW 	C47H56N8O8	860.4221	NA	PeJP	NA	NA
+PJ056816	APCCRRR 	C32H60N16O8S2	860.4222	NA	PeJP	NA	NA
+MJ096393	Oleanolic acid glycosyl esters; Diglycosides, 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 3-O-sulfate 	C42H68O16S	860.422806	NA	MeJP	NA	NA
+PJ056817	SVLEEER 	C35H60N10O15	860.424	NA	PeJP	NA	NA
+PJ056818	PVVEMMR 	C36H64N10O10S2	860.4249	NA	PeJP	NA	NA
+PJ056819	SQERRW 	C36H56N14O11	860.4253	NA	PeJP	NA	NA
+MJ096394	11-Hydroxytetradecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C38H68O21	860.425309	NA	MeJP	NA	NA
+PJ056820	GGGGGSKRW 	C36H56N14O11	860.4254	NA	PeJP	NA	NA
+PJ056821	APPLMFW 	C44H60N8O8S	860.4255	NA	PeJP	NA	NA
+2836	oxitocin	CYIQNCPLGG	860.4259	antibacterial	Inhouse_peptide	NA	peptide
+PJ056822	ATLLEEW 	C40H60N8O13	860.428	NA	PeJP	NA	NA
+PJ056823	AAQEMRR 	C33H60N14O11S	860.4287	NA	PeJP	NA	NA
+PJ056824	APLLMMW 	C41H64N8O8S2	860.4289	NA	PeJP	NA	NA
+PJ056825	GKERWW 	C41H56N12O9	860.4294	NA	PeJP	NA	NA
+PJ056826	VLLQEEM 	C37H64N8O13S	860.4314	NA	PeJP	NA	NA
+PJ056827	GSPKMRW 	C38H60N12O9S	860.4327	NA	PeJP	NA	NA
+PJ056828	GVKWWW 	C46H56N10O7	860.4334	NA	PeJP	NA	NA
+PJ056829	GDKKEER 	C34H60N12O14	860.4352	NA	PeJP	NA	NA
+PJ056830	GGGGGATKKE 	C34H60N12O14	860.4353	NA	PeJP	NA	NA
+PJ056831	APQKMMR 	C35H64N12O9S2	860.4361	NA	PeJP	NA	NA
+MJ096395	Aplasmomycin; 9,9'-Di-Ac 	C44H64BO16(-)	860.436566	NA	MeJP	NA	NA
+PJ056832	GVQQHHR 	C35H56N16O10	860.4366	NA	PeJP	NA	NA
+PJ056833	LKMHFW 	C43H60N10O7S	860.4368	NA	PeJP	NA	NA
+PJ056834	SSPKKEW 	C39H60N10O12	860.4392	NA	PeJP	NA	NA
+PJ056835	AAKKEEW 	C39H60N10O12	860.4393	NA	PeJP	NA	NA
+PJ056836	NEMRRR 	C32H60N16O10S	860.4399	NA	PeJP	NA	NA
+PJ056837	GGEMRRR 	C32H60N16O10S	860.44	NA	PeJP	NA	NA
+PJ056838	GTRRWW 	C40H56N14O8	860.4406	NA	PeJP	NA	NA
+PJ056839	ALLEEMR 	C36H64N10O12S	860.4426	NA	PeJP	NA	NA
+MJ096396	Pseudostellarin H 	C44H60N8O10	860.44324	NA	MeJP	NA	NA
+PJ056840	SPPVLYW 	C44H60N8O10	860.4433	NA	PeJP	NA	NA
+PJ056841	VNMRRW 	C37H60N14O8S	860.444	NA	PeJP	NA	NA
+PJ056842	KRWWW 	C45H56N12O6	860.4446	NA	PeJP	NA	NA
+PJ056843	GSKEERR 	C33H60N14O13	860.4465	NA	PeJP	NA	NA
+PJ056844	VVVVEMW 	C41H64N8O10S	860.4466	NA	PeJP	NA	NA
+MJ096397	Chandramycin 	C41H64N8O10S	860.44661	NA	MeJP	NA	NA
+PJ056845	GLLLEMW 	C41H64N8O10S	860.4467	NA	PeJP	NA	NA
+PJ056846	APCKMRR 	C34H64N14O8S2	860.4473	NA	PeJP	NA	NA
+PJ056847	QQHHRR 	C34H56N18O9	860.4478	NA	PeJP	NA	NA
+PJ056848	SPTTTLLE 	C37H64N8O15	860.4491	NA	PeJP	NA	NA
+PJ056849	TLLKEEE 	C37H64N8O15	860.4492	NA	PeJP	NA	NA
+PJ056850	PLLKEMM 	C38H68N8O10S2	860.45	NA	PeJP	NA	NA
+PJ056851	DKKERW 	C38H60N12O11	860.4505	NA	PeJP	NA	NA
+PJ056852	CDRRRR 	C31H60N18O9S	860.4512	NA	PeJP	NA	NA
+PJ056853	KHHHFR 	C39H56N16O7	860.4518	NA	PeJP	NA	NA
+PJ056854	SVLQQMR 	C35H64N12O11S	860.4538	NA	PeJP	NA	NA
+PJ056855	GLQKEMR 	C35H64N12O11S	860.4539	NA	PeJP	NA	NA
+PJ056856	VDKKWW 	C43H60N10O9	860.4545	NA	PeJP	NA	NA
+PJ056857	GMRRRW 	C36H60N16O7S	860.4552	NA	PeJP	NA	NA
+PJ056858	GSTERRR 	C32H60N16O12	860.4577	NA	PeJP	NA	NA
+PJ056859	APTKKMW 	C40H64N10O9S	860.4579	NA	PeJP	NA	NA
+PJ056860	PLLFWW 	C48H60N8O7	860.4585	NA	PeJP	NA	NA
+PJ056861	TTLLEER 	C36H64N10O14	860.4604	NA	PeJP	NA	NA
+PJ056862	PTLLMMR 	C37H68N10O9S2	860.4613	NA	PeJP	NA	NA
+PJ056863	SKERRW 	C37H60N14O10	860.4617	NA	PeJP	NA	NA
+PJ056864	LLLMWW 	C45H64N8O7S	860.4619	NA	PeJP	NA	NA
+MJ096398	N-Deacyltunicamycin; N4''-(14-Methylhexadecanoyl) 	C40H68N4O16	860.463032	NA	MeJP	NA	NA
+PJ056865	STLLLEW 	C41H64N8O12	860.4644	NA	PeJP	NA	NA
+PJ056866	AAKEMRR 	C34H64N14O10S	860.4651	NA	PeJP	NA	NA
+PJ056867	SVKRWW 	C42H60N12O8	860.4657	NA	PeJP	NA	NA
+PJ056868	GAPKFRW 	C42H60N12O8	860.4658	NA	PeJP	NA	NA
+PJ056869	VLLKEEM 	C38H68N8O12S	860.4678	NA	PeJP	NA	NA
+PJ056870	LQKMRW 	C39H64N12O8S	860.4691	NA	PeJP	NA	NA
+PJ056871	ATKKEER 	C35H64N12O13	860.4716	NA	PeJP	NA	NA
+PJ056872	APKKMMR 	C36H68N12O8S2	860.4725	NA	PeJP	NA	NA
+PJ056873	STRRRW 	C36H60N16O9	860.473	NA	PeJP	NA	NA
+PJ056874	GTLKKEW 	C40H64N10O11	860.4756	NA	PeJP	NA	NA
+PJ056875	GGGGPLLKY 	C40H64N10O11	860.4757	NA	PeJP	NA	NA
+PJ056876	DKMRRR 	C33H64N16O9S	860.4763	NA	PeJP	NA	NA
+MJ096399	1,3,16,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 31-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C43H72O17	860.47695	NA	MeJP	NA	NA
+MJ096400	1,3,20,24-Tetrahydroxy-24-(hydroxymethyl)cycloartan-28-oic acid, 31-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester 	C43H72O17	860.47695	NA	MeJP	NA	NA
+MJ096401	Antibiotic T 2636B 	C43H72O17	860.47695	NA	MeJP	NA	NA
+PJ056877	LLHHRW 	C41H60N14O7	860.477	NA	PeJP	NA	NA
+PJ056878	SLLLEMR 	C37H68N10O11S	860.479	NA	PeJP	NA	NA
+MJ096402	Mozamide A 	C45H64N8O9	860.479625	NA	MeJP	NA	NA
+PJ056879	GPLLLYW 	C45H64N8O9	860.4797	NA	PeJP	NA	NA
+PJ056880	CLKRRW 	C38H64N14O7S	860.4804	NA	PeJP	NA	NA
+PJ056881	ATTKERR 	C34H64N14O12	860.4828	NA	PeJP	NA	NA
+PJ056882	GGTTTLRR 	C34H64N14O12	860.4829	NA	PeJP	NA	NA
+PJ056883	SVLLLMW 	C42H68N8O9S	860.483	NA	PeJP	NA	NA
+PJ056884	QKHHRR 	C35H60N18O8	860.4842	NA	PeJP	NA	NA
+PJ056885	SSSLLLLE 	C38H68N8O14	860.4855	NA	PeJP	NA	NA
+PJ056886	LLLLQMM 	C39H72N8O9S2	860.4864	NA	PeJP	NA	NA
+PJ056887	GTTLKRW 	C39H64N12O10	860.4869	NA	PeJP	NA	NA
+PJ056888	SMRRRR 	C32H64N18O8S	860.4876	NA	PeJP	NA	NA
+PJ056889	PTTKKMR 	C36H68N12O10S	860.4902	NA	PeJP	NA	NA
+PJ056890	GLKKEMR 	C36H68N12O10S	860.4903	NA	PeJP	NA	NA
+PJ056891	TLKKWW 	C44H64N10O8	860.4909	NA	PeJP	NA	NA
+PJ056892	SSSLRRR 	C33H64N16O11	860.4941	NA	PeJP	NA	NA
+PJ056893	GVLKKMW 	C41H68N10O8S	860.4943	NA	PeJP	NA	NA
+PJ056894	SLKKKEE 	C37H68N10O13	860.4968	NA	PeJP	NA	NA
+PJ056895	VVLLMMR 	C38H72N10O8S2	860.4976	NA	PeJP	NA	NA
+PJ056896	AAPKRRY 	C38H64N14O9	860.4981	NA	PeJP	NA	NA
+PJ056897	PVLLKEY 	C42H68N8O11	860.5008	NA	PeJP	NA	NA
+PJ056898	GTLKMRR 	C35H68N14O9S	860.5015	NA	PeJP	NA	NA
+PJ056899	PKKFRW 	C43H64N12O7	860.5021	NA	PeJP	NA	NA
+PJ056900	GTTLLLLM 	C39H72N8O11S	860.5042	NA	PeJP	NA	NA
+PJ056901	LKKMRW 	C40H68N12O7S	860.5055	NA	PeJP	NA	NA
+PJ056902	STLKKER 	C36H68N12O12	860.508	NA	PeJP	NA	NA
+PJ056903	VQFRRR 	C37H64N16O8	860.5093	NA	PeJP	NA	NA
+PJ056904	GGLFRRR 	C37H64N16O8	860.5094	NA	PeJP	NA	NA
+PJ056905	SSLLKKW 	C41H68N10O10	860.512	NA	PeJP	NA	NA
+PJ056906	VVKKKEM 	C38H72N10O10S	860.5154	NA	PeJP	NA	NA
+PJ056907	AVLLLFW 	C46H68N8O8	860.516	NA	PeJP	NA	NA
+PJ056908	GLLLLFW 	C46H68N8O8	860.5161	NA	PeJP	NA	NA
+PJ056909	STTLKRR 	C35H68N14O11	860.5192	NA	PeJP	NA	NA
+PJ056910	PLLLKMF 	C43H72N8O8S	860.5194	NA	PeJP	NA	NA
+PJ056911	AFRRRR 	C36H64N18O7	860.5206	NA	PeJP	NA	NA
+PJ056912	STTTLLLL 	C39H72N8O13	860.5219	NA	PeJP	NA	NA
+PJ056913	LLLLKMM 	C40H76N8O8S2	860.5228	NA	PeJP	NA	NA
+PJ056914	GSKKKKW 	C40H68N12O9	860.5233	NA	PeJP	NA	NA
+PJ056915	SVLKKMR 	C37H72N12O9S	860.5266	NA	PeJP	NA	NA
+MJ096403	Antibiotic C 076; Antibiotic C 076III 	C48H76O13	860.528592	NA	MeJP	NA	NA
+PJ056916	GTTTLLKK 	C38H72N10O12	860.5332	NA	PeJP	NA	NA
+PJ056917	AALKFRR 	C39H68N14O8	860.5345	NA	PeJP	NA	NA
+PJ056918	VLLLLQY 	C43H72N8O10	860.5372	NA	PeJP	NA	NA
+PJ056919	ACKKKKR 	C36H72N14O8S	860.5379	NA	PeJP	NA	NA
+HMDB09787	PI(16:0/20:3(5Z,8Z,11Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09788	PI(16:0/20:3(8Z,11Z,14Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09810	PI(18:0/18:3(6Z,9Z,12Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09811	PI(18:0/18:3(9Z,12Z,15Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09826	PI(18:1(11Z)/18:2(9Z,12Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09838	PI(18:1(9Z)/18:2(9Z,12Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09848	PI(18:2(9Z,12Z)/18:1(11Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09849	PI(18:2(9Z,12Z)/18:1(9Z))	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09858	PI(18:3(6Z,9Z,12Z)/18:0)	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09862	PI(18:3(9Z,12Z,15Z)/18:0)	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09879	PI(20:3(5Z,8Z,11Z)/16:0)	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+HMDB09886	PI(20:3(8Z,11Z,14Z)/16:0)	C45H81O13P	860.541504	NA	HMDB2010	NA	NA
+MJ096404	Zeaxanthin; 9Z-Isomer, di-O-?-L-rhamnopyranoside 	C52H76O10	860.543848	NA	MeJP	NA	NA
+MJ096405	Zeaxanthin; Di-O-?-L-rhamnopyranoside 	C52H76O10	860.543848	NA	MeJP	NA	NA
+PJ056920	SDKKKKK 	C37H72N12O11	860.5444	NA	PeJP	NA	NA
+PJ056921	VKFRRR 	C38H68N16O7	860.5457	NA	PeJP	NA	NA
+PJ056922	ALLLLRY 	C42H72N10O9	860.5484	NA	PeJP	NA	NA
+PJ056923	TLLKKKM 	C39H76N10O9S	860.5518	NA	PeJP	NA	NA
+PJ056924	SSKKKKR 	C36H72N14O10	860.5556	NA	PeJP	NA	NA
+PJ056925	AVLKKFR 	C41H72N12O8	860.5596	NA	PeJP	NA	NA
+PJ056926	GLLKKFR 	C41H72N12O8	860.5597	NA	PeJP	NA	NA
+MJ096406	Megalomicin A; 12-Deoxy 	C44H80N2O14	860.560955	NA	MeJP	NA	NA
+PJ056927	AKKKKKM 	C38H76N12O8S	860.563	NA	PeJP	NA	NA
+PJ056928	VLLLLKY 	C44H76N8O9	860.5736	NA	PeJP	NA	NA
+PJ056929	TTKKKKK 	C38H76N12O10	860.5808	NA	PeJP	NA	NA
+PJ056930	VVLKKKF 	C43H76N10O8	860.5848	NA	PeJP	NA	NA
+3610	NA	LKKLKKLKKKLLKL	860.628	MH2+	Inhouse_peptide	NA	peptide
+HMDB05361	TG(16:0/16:0/20:1(11Z))[iso3]	C55H104O6	860.78326	http://www.hmdb.ca/metabolites/HMDB05361	HMDB	NA	NA
+HMDB05367	TG(16:0/18:0/18:1(9Z))[iso6]	C55H104O6	860.78326	http://www.hmdb.ca/metabolites/HMDB05367	HMDB	NA	NA
+HMDB05375	TG(16:0/16:1(9Z)/20:0)[iso6]	C55H104O6	860.78326	http://www.hmdb.ca/metabolites/HMDB05375	HMDB	NA	NA
+HMDB05421	TG(16:1(9Z)/18:0/18:0)[iso3]	C55H104O6	860.78326	http://www.hmdb.ca/metabolites/HMDB05421	HMDB	NA	NA
+HMDB05361	TG(16:0/16:0/20:1(11Z))[iso3]	C55H104O6	860.78326	HMDB05361	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05367	TG(16:0/18:0/18:1(9Z))[iso6]	C55H104O6	860.78326	HMDB05367	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05375	TG(16:0/16:1(9Z)/20:0)[iso6]	C55H104O6	860.78326	HMDB05375	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05421	TG(16:1(9Z)/18:0/18:0)[iso3]	C55H104O6	860.78326	HMDB05421	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05361	TG(16:0/16:0/20:1(11Z))[iso3]	C55H104O6	860.783264	NA	HMDB2010	NA	NA
+HMDB05367	TG(16:0/18:0/18:1(9Z))[iso6]	C55H104O6	860.783264	NA	HMDB2010	NA	NA
+HMDB05375	TG(16:0/16:1(9Z)/20:0)[iso6]	C55H104O6	860.783264	NA	HMDB2010	NA	NA
+HMDB05421	TG(16:1(9Z)/18:0/18:0)[iso3]	C55H104O6	860.783264	NA	HMDB2010	NA	NA
+HMDB10431	TG(18:0/16:0/18:1(11Z))[iso6]	C55H104O6	860.783264	NA	HMDB2010	NA	NA
+MJ096407	Glycerol trialkanoates (triacid); Glycerol 1-(9Z-octadecenoate) 2-hexadecanoate 3-octadecanoate 	C55H104O6	860.783291	NA	MeJP	NA	NA
+MJ096408	Glycerol trialkanoates (triacid); Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate 	C55H104O6	860.783291	NA	MeJP	NA	NA
+MJ096409	20(29)-Lupen-3-ol, Triacontanoyl 	C60H108O2	860.834932	NA	MeJP	NA	NA
+7419	coeliac toxic peptide	PQQPFPQPQQPFRQ	860.9225	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04202	2-furoyl-CoA []	C26H38N7O18P3S1	861.120688	NA	metacyc	NA	NA
+C00845	2-Furoyl-CoA	C26H38N7O18P3S	861.1207	NA	KEGG	NA	NA
+MetaCyc04203	hexanoyl-CoA [hexanoyl-coenzyme A;]	C27H42N7O17P3S1	861.157073	5060-32-2	metacyc	NA	NA
+PJ056931	SCCCCNDD 	C27H43N9O15S4	861.1762	NA	PeJP	NA	NA
+PJ056932	PCCCCCCQ 	C28H47N9O10S6	861.1771	NA	PeJP	NA	NA
+PJ056933	GCCCCNEM 	C28H47N9O12S5	861.1948	NA	PeJP	NA	NA
+PJ056934	GCCCCCDR 	C27H47N11O11S5	861.2061	NA	PeJP	NA	NA
+PJ056935	CCCCNMW 	C32H47N9O9S5	861.2101	NA	PeJP	NA	NA
+PJ056936	SSCCCNDM 	C28H47N9O14S4	861.2126	NA	PeJP	NA	NA
+PJ056937	PCCCCCCK 	C29H51N9O9S6	861.2134	NA	PeJP	NA	NA
+PJ056938	CCDDDEY 	C32H43N7O17S2	861.2157	NA	PeJP	NA	NA
+PJ056939	CCDEMMM 	C30H51N7O12S5	861.22	NA	PeJP	NA	NA
+PJ056940	GSTCCCCW 	C32H47N9O11S4	861.2278	NA	PeJP	NA	NA
+PJ056941	GSSSSCCCE 	C28H47N9O16S3	861.2303	NA	PeJP	NA	NA
+PJ056942	GSCCCQMM 	C29H51N9O11S5	861.2312	NA	PeJP	NA	NA
+PJ056943	CCDDEMF 	C33H47N7O14S3	861.2344	NA	PeJP	NA	NA
+PJ056944	CCCEMHH 	C31H47N11O10S4	861.2391	NA	PeJP	NA	NA
+PJ056945	GSCCCCMR 	C28H51N11O10S5	861.2424	NA	PeJP	NA	NA
+PJ056946	CCCCHFF 	C36H47N9O8S4	861.2431	NA	PeJP	NA	NA
+PJ056947	DDDDDMH 	C31H43N9O18S	861.2447	NA	PeJP	NA	NA
+FL7AAAGL0068	Pelargonidin 3-rutinoside-7-(6-(p-hydroxybenzoyl)glucoside)	C40H45O21	861.24533	215237-86-8	knapsack	NA	NA
+PJ056948	SSSSCCCW 	C32H47N9O13S3	861.2456	NA	PeJP	NA	NA
+PJ056949	SSSSSSCCD 	C28H47N9O18S2	861.2481	NA	PeJP	NA	NA
+PJ056950	SSSCCNMM 	C29H51N9O13S4	861.2489	NA	PeJP	NA	NA
+PJ056951	GGSSSCCMM 	C29H51N9O13S4	861.249	NA	PeJP	NA	NA
+PJ056952	SCDDEMY 	C33H47N7O16S2	861.2521	NA	PeJP	NA	NA
+PJ056953	PCCDMMY 	C34H51N7O11S4	861.253	NA	PeJP	NA	NA
+PJ056954	GSCNDDDH 	C30H43N11O17S	861.256	NA	PeJP	NA	NA
+PJ056955	SCEMMMM 	C31H55N7O11S5	861.2563	NA	PeJP	NA	NA
+PJ056956	GPCCCNEH 	C31H47N11O12S3	861.2568	NA	PeJP	NA	NA
+PJ056957	SSTCCCCR 	C28H51N11O12S4	861.2602	NA	PeJP	NA	NA
+PJ056958	GCCCQYW 	C36H47N9O10S3	861.2608	NA	PeJP	NA	NA
+PJ056959	GPNDDDDD 	C31H43N9O20	861.2625	NA	PeJP	NA	NA
+PJ056960	GSSCCNEY 	C32H47N9O15S2	861.2633	NA	PeJP	NA	NA
+PJ056961	CCNNMMF 	C33H51N9O10S4	861.2642	NA	PeJP	NA	NA
+PJ056962	GDDDDYY 	C36H43N7O18	861.2665	NA	PeJP	NA	NA
+PJ056963	GSSSSTCCM 	C29H51N9O15S3	861.2667	NA	PeJP	NA	NA
+PJ056964	PCCDDFY 	C37H47N7O13S2	861.2674	NA	PeJP	NA	NA
+PJ056965	GSCCCKMM 	C30H55N9O10S5	861.2676	NA	PeJP	NA	NA
+PJ056966	GDDMMMY 	C34H51N7O13S3	861.2707	NA	PeJP	NA	NA
+PJ056967	PCCMMMF 	C35H55N7O8S5	861.2716	NA	PeJP	NA	NA
+PJ056968	PCCCNHW 	C35H47N11O9S3	861.2721	NA	PeJP	NA	NA
+PJ056969	CNNDEMH 	C31H47N11O14S2	861.2746	NA	PeJP	NA	NA
+PJ056970	GMMMMMM 	C32H59N7O8S6	861.275	NA	PeJP	NA	NA
+PJ056971	CCCCQFR 	C32H51N11O9S4	861.2754	NA	PeJP	NA	NA
+PJ056972	GACCCCFR 	C32H51N11O9S4	861.2755	NA	PeJP	NA	NA
+PJ056973	SSCCNYW 	C36H47N9O12S2	861.2786	NA	PeJP	NA	NA
+PJ056974	SSSSCNDY 	C32H47N9O17S	861.2811	NA	PeJP	NA	NA
+PJ056975	SCNNMMY 	C33H51N9O12S3	861.282	NA	PeJP	NA	NA
+PJ056976	SSSSSTTCC 	C29H51N9O17S2	861.2844	NA	PeJP	NA	NA
+PJ056977	SSSSSSSCM 	C29H51N9O17S2	861.2845	NA	PeJP	NA	NA
+PJ056978	SPCDDYY 	C37H47N7O15S	861.2851	NA	PeJP	NA	NA
+PJ056979	SSTCCCKM 	C30H55N9O12S4	861.2853	NA	PeJP	NA	NA
+PJ056980	CCNDDHR 	C30H47N13O13S2	861.2858	NA	PeJP	NA	NA
+PJ056981	CEMMYW 	C38H51N7O10S3	861.286	NA	PeJP	NA	NA
+PJ056982	PDDEEEE 	C33H47N7O20	861.2876	NA	PeJP	NA	NA
+PJ056983	SSDEMMY 	C34H51N7O15S2	861.2885	NA	PeJP	NA	NA
+PJ056984	SPCMMMY 	C35H55N7O10S4	861.2893	NA	PeJP	NA	NA
+PJ056985	GDMMMMF 	C35H55N7O10S4	861.2894	NA	PeJP	NA	NA
+PJ056986	GCNDMHW 	C35H47N11O11S2	861.2898	NA	PeJP	NA	NA
+PJ056987	GSSNDDMH 	C31H47N11O16S	861.2923	NA	PeJP	NA	NA
+PJ056988	GGGGGPCNDE 	C31H47N11O16S	861.2924	NA	PeJP	NA	NA
+PJ056989	STMMMMM 	C32H59N7O10S5	861.2927	NA	PeJP	NA	NA
+PJ056990	SCCCQRY 	C32H51N11O11S3	861.2932	NA	PeJP	NA	NA
+PJ056991	GCNNEYY 	C36H47N9O14S	861.2963	NA	PeJP	NA	NA
+PJ056992	GGGCNEYY 	C36H47N9O14S	861.2964	NA	PeJP	NA	NA
+PJ056993	GCCCKYW 	C37H51N9O9S3	861.2972	NA	PeJP	NA	NA
+PJ056994	GSPNDDEE 	C32H47N9O19	861.2989	NA	PeJP	NA	NA
+PJ056995	GSSSCQMY 	C33H51N9O14S2	861.2997	NA	PeJP	NA	NA
+PJ056996	SDDDHHH 	C33H43N13O15	861.3002	NA	PeJP	NA	NA
+PJ056997	CDEFYW 	C41H47N7O12S	861.3004	NA	PeJP	NA	NA
+PJ056998	CCCQKMF 	C34H55N9O9S4	861.3006	NA	PeJP	NA	NA
+PJ056999	PCCEHHH 	C34H47N13O10S2	861.3011	NA	PeJP	NA	NA
+PJ057000	GSDEEYY 	C37H47N7O17	861.3029	NA	PeJP	NA	NA
+PJ057001	SSSCNNNH 	C30H47N13O15S	861.3036	NA	PeJP	NA	NA
+PJ057002	GPCEMYY 	C38H51N7O12S2	861.3037	NA	PeJP	NA	NA
+PJ057003	GDDMMFF 	C38H51N7O12S2	861.3038	NA	PeJP	NA	NA
+PJ057004	GSPCCCHR 	C31H51N13O10S3	861.3044	NA	PeJP	NA	NA
+PJ057005	CCQHWW 	C39H47N11O8S2	861.3051	NA	PeJP	NA	NA
+PJ057006	GTEMMMY 	C35H55N7O12S3	861.3071	NA	PeJP	NA	NA
+PJ057007	SSCNEHW 	C35H47N11O13S	861.3076	NA	PeJP	NA	NA
+PJ057008	GCMMHHF 	C36H51N11O8S3	861.3085	NA	PeJP	NA	NA
+PJ057009	SSSSNDEH 	C31H47N11O18	861.3101	NA	PeJP	NA	NA
+PJ057010	GSSSCCRY 	C32H51N11O13S2	861.311	NA	PeJP	NA	NA
+PJ057011	CNNYYW 	C40H47N9O11S	861.3116	NA	PeJP	NA	NA
+PJ057012	CCCCKFR 	C33H55N11O8S4	861.3118	NA	PeJP	NA	NA
+PJ057013	SPNDDEW 	C36H47N9O16	861.3141	NA	PeJP	NA	NA
+PJ057014	EEMMHW 	C37H51N9O11S2	861.315	NA	PeJP	NA	NA
+PJ057015	SSSSSNMY 	C33H51N9O16S	861.3175	NA	PeJP	NA	NA
+PJ057016	SDEYYW 	C41H47N7O14	861.3181	NA	PeJP	NA	NA
+PJ057017	SCCQKMY 	C34H55N9O11S3	861.3183	NA	PeJP	NA	NA
+PJ057018	GGTCCKMY 	C34H55N9O11S3	861.3184	NA	PeJP	NA	NA
+PJ057019	CNNNNHF 	C34H47N13O12S	861.3188	NA	PeJP	NA	NA
+PJ057020	GGGGGGGGCHF 	C34H47N13O12S	861.3189	NA	PeJP	NA	NA
+PJ057021	PCMYYW 	C42H51N7O9S2	861.319	NA	PeJP	NA	NA
+PJ057022	NNNDDDR 	C30H47N13O17	861.3213	NA	PeJP	NA	NA
+PJ057023	GGGGGGDDDR 	C30H47N13O17	861.3214	NA	PeJP	NA	NA
+PJ057024	QEEMYY 	C38H51N7O14S	861.3215	NA	PeJP	NA	NA
+PJ057025	SCNDMHR 	C31H51N13O12S2	861.3222	NA	PeJP	NA	NA
+PJ057026	TMMMYW 	C39H55N7O9S3	861.3224	NA	PeJP	NA	NA
+PJ057027	GSSCHWW 	C39H47N11O10S	861.3228	NA	PeJP	NA	NA
+PJ057028	GCDHHFF 	C39H47N11O10S	861.3229	NA	PeJP	NA	NA
+PJ057029	PTEEEEE 	C34H51N7O19	861.324	NA	PeJP	NA	NA
+PJ057030	STTEMMY 	C35H55N7O14S2	861.3249	NA	PeJP	NA	NA
+PJ057031	GSSSSDHW 	C35H47N11O15	861.3253	NA	PeJP	NA	NA
+PJ057032	GGGNNEEW 	C35H47N11O15	861.3254	NA	PeJP	NA	NA
+PJ057033	GVMMMMY 	C36H59N7O9S4	861.3257	NA	PeJP	NA	NA
+PJ057034	GSNMMHW 	C36H51N11O10S2	861.3262	NA	PeJP	NA	NA
+MJ096410	Cephabacin F; Cephabacin F4, N27-(L-Alanyl-L-seryl) 	C32H51N11O15S	861.32868	NA	MeJP	NA	NA
+PJ057035	PNDDDMR 	C32H51N11O15S	861.3287	NA	PeJP	NA	NA
+PJ057036	GSPDDWW 	C40H47N9O13	861.3294	NA	PeJP	NA	NA
+PJ057037	SCCCKRY 	C33H55N11O10S3	861.3296	NA	PeJP	NA	NA
+PJ057038	SCNQHHH 	C33H47N15O11S	861.3301	NA	PeJP	NA	NA
+PJ057039	APPCCWW 	C41H51N9O8S2	861.3302	NA	PeJP	NA	NA
+PJ057040	GPNEEMW 	C37H51N9O13S	861.3327	NA	PeJP	NA	NA
+PJ057041	GGGPEEMW 	C37H51N9O13S	861.3328	NA	PeJP	NA	NA
+PJ057042	PPCMMHF 	C38H55N9O8S3	861.3336	NA	PeJP	NA	NA
+PJ057043	DMHHHW 	C38H47N13O9S	861.3341	NA	PeJP	NA	NA
+PJ057044	GSSSSSSTY 	C33H51N9O18	861.3352	NA	PeJP	NA	NA
+PJ057045	GAAQEEEE 	C33H51N9O18	861.3353	NA	PeJP	NA	NA
+PJ057046	GSSSCKMY 	C34H55N9O13S2	861.3361	NA	PeJP	NA	NA
+PJ057047	SNNNNNW 	C34H47N13O14	861.3366	NA	PeJP	NA	NA
+PJ057048	AEMYYW 	C42H51N7O11S	861.3368	NA	PeJP	NA	NA
+PJ057049	MMMMRY 	C35H59N9O8S4	861.337	NA	PeJP	NA	NA
+PJ057050	ASCCHRW 	C35H51N13O9S2	861.3374	NA	PeJP	NA	NA
+PJ057051	GTCCHRW 	C35H51N13O9S2	861.3375	NA	PeJP	NA	NA
+PJ057052	ASTEEYY 	C38H51N7O16	861.3392	NA	PeJP	NA	NA
+PJ057053	GTTEEYY 	C38H51N7O16	861.3393	NA	PeJP	NA	NA
+PJ057054	NNNNQQM 	C31H51N13O14S	861.3399	NA	PeJP	NA	NA
+PJ057055	GSSSCEHR 	C31H51N13O14S	861.34	NA	PeJP	NA	NA
+PJ057056	GPTMMYY 	C39H55N7O11S2	861.3401	NA	PeJP	NA	NA
+PJ057057	NNNEWW 	C39H47N11O12	861.3406	NA	PeJP	NA	NA
+PJ057058	GCQMMHR 	C32H55N13O9S3	861.3408	NA	PeJP	NA	NA
+PJ057059	CCKHWW 	C40H51N11O7S2	861.3415	NA	PeJP	NA	NA
+PJ057060	PVEEEEM 	C35H55N7O16S	861.3426	NA	PeJP	NA	NA
+PJ057061	SSLMMMY 	C36H59N7O11S3	861.3435	NA	PeJP	NA	NA
+PJ057062	GPCDERW 	C36H51N11O12S	861.344	NA	PeJP	NA	NA
+PJ057063	GNEEEER 	C32H51N11O17	861.3465	NA	PeJP	NA	NA
+PJ057064	ASPPCCER 	C33H55N11O12S2	861.3473	NA	PeJP	NA	NA
+PJ057065	GSPPCDMR 	C33H55N11O12S2	861.3474	NA	PeJP	NA	NA
+PJ057066	GSSSNHHH 	C33H47N15O13	861.3478	NA	PeJP	NA	NA
+PJ057067	PNEMWW 	C41H51N9O10S	861.348	NA	PeJP	NA	NA
+PJ057068	AAQEEEW 	C37H51N9O15	861.3505	NA	PeJP	NA	NA
+PJ057069	CNNNNQR 	C30H51N15O13S	861.3512	NA	PeJP	NA	NA
+PJ057070	SPPNMMW 	C38H55N9O10S2	861.3514	NA	PeJP	NA	NA
+PJ057071	GPNDHHW 	C38H47N13O11	861.3518	NA	PeJP	NA	NA
+PJ057072	GGGPDHHW 	C38H47N13O11	861.3519	NA	PeJP	NA	NA
+PJ057073	PCFFYW 	C46H51N7O8S	861.352	NA	PeJP	NA	NA
+PJ057074	GCCMHRR 	C31H55N15O8S3	861.3521	NA	PeJP	NA	NA
+MJ096411	Cephabacin M; Cephabacin M2 	C34H55N9O15S	861.353832	NA	MeJP	NA	NA
+PJ057075	SSSSTCKY 	C34H55N9O15S	861.3539	NA	PeJP	NA	NA
+PJ057076	TTEYYW 	C42H51N7O13	861.3545	NA	PeJP	NA	NA
+PJ057077	SCCKKMY 	C35H59N9O10S3	861.3547	NA	PeJP	NA	NA
+PJ057078	GGAAPPMMM 	C35H59N9O10S3	861.3548	NA	PeJP	NA	NA
+PJ057079	SSSCHRW 	C35H51N13O11S	861.3552	NA	PeJP	NA	NA
+PJ057080	CLMFYW 	C43H55N7O8S2	861.3554	NA	PeJP	NA	NA
+PJ057081	GNNWWW 	C43H47N11O9	861.3559	NA	PeJP	NA	NA
+PJ057082	GDDDERR 	C31H51N13O16	861.3577	NA	PeJP	NA	NA
+PJ057083	KEEMYY 	C39H55N7O13S	861.3579	NA	PeJP	NA	NA
+PJ057084	SSNMMHR 	C32H55N13O11S2	861.3586	NA	PeJP	NA	NA
+PJ057085	GVMMMFF 	C40H59N7O8S3	861.3588	NA	PeJP	NA	NA
+PJ057086	PCDRWW 	C40H51N11O9S	861.3592	NA	PeJP	NA	NA
+PJ057087	VVEEEEE 	C35H55N7O18	861.3604	NA	PeJP	NA	NA
+PJ057088	NEEERW 	C36H51N11O14	861.3617	NA	PeJP	NA	NA
+PJ057089	GGGGGDKEW 	C36H51N11O14	861.3618	NA	PeJP	NA	NA
+PJ057090	PPTCCRW 	C37H55N11O9S2	861.3626	NA	PeJP	NA	NA
+PJ057091	GNNHHHF 	C37H47N15O10	861.3631	NA	PeJP	NA	NA
+PJ057092	GPMWWW 	C45H51N9O7S	861.3633	NA	PeJP	NA	NA
+PJ057093	SPNEEMR 	C33H55N11O14S	861.3651	NA	PeJP	NA	NA
+PJ057094	ASSPEWW 	C41H51N9O12	861.3657	NA	PeJP	NA	NA
+PJ057095	VNEEWW 	C41H51N9O12	861.3658	NA	PeJP	NA	NA
+PJ057096	PPCQMMR 	C34H59N11O9S3	861.366	NA	PeJP	NA	NA
+PJ057097	SCNKHHH 	C34H51N15O10S	861.3664	NA	PeJP	NA	NA
+PJ057098	GGSCKHHH 	C34H51N15O10S	861.3665	NA	PeJP	NA	NA
+PJ057099	GSSNNNNR 	C30H51N15O15	861.3689	NA	PeJP	NA	NA
+PJ057100	GGGGGSSNNR 	C30H51N15O15	861.369	NA	PeJP	NA	NA
+PJ057101	GPDKEMW 	C38H55N9O12S	861.3691	NA	PeJP	NA	NA
+PJ057102	APYYYW 	C46H51N7O10	861.3698	NA	PeJP	NA	NA
+PJ057103	MMMFFR 	C39H59N9O7S3	861.37	NA	PeJP	NA	NA
+PJ057104	CNHFRW 	C39H51N13O8S	861.3705	NA	PeJP	NA	NA
+PJ057105	AQKEEEE 	C34H55N9O17	861.3716	NA	PeJP	NA	NA
+PJ057106	TTLEMMH 	C35H59N9O12S2	861.3725	NA	PeJP	NA	NA
+PJ057107	DDDRRW 	C35H51N13O13	861.373	NA	PeJP	NA	NA
+PJ057108	SLMYYW 	C43H55N7O10S	861.3731	NA	PeJP	NA	NA
+PJ057109	GVDMFFF 	C43H55N7O10S	861.3732	NA	PeJP	NA	NA
+PJ057110	GLMMHHH 	C36H55N13O8S2	861.3738	NA	PeJP	NA	NA
+PJ057111	GTHHHHH 	C36H47N17O9	861.3743	NA	PeJP	NA	NA
+PJ057112	SSTLEYY 	C39H55N7O15	861.3756	NA	PeJP	NA	NA
+PJ057113	PPVEEEY 	C39H55N7O15	861.3757	NA	PeJP	NA	NA
+PJ057114	SPCDERR 	C32H55N13O13S	861.3763	NA	PeJP	NA	NA
+PJ057115	GGGGAQEMR 	C32H55N13O13S	861.3764	NA	PeJP	NA	NA
+PJ057116	AALMMYY 	C40H59N7O10S2	861.3765	NA	PeJP	NA	NA
+PJ057117	GEERWW 	C40H51N11O11	861.377	NA	PeJP	NA	NA
+PJ057118	PPCCMRR 	C33H59N13O8S3	861.3772	NA	PeJP	NA	NA
+PJ057119	GSPEMRW 	C37H55N11O11S	861.3804	NA	PeJP	NA	NA
+PJ057120	GVEWWW 	C45H51N9O9	861.381	NA	PeJP	NA	NA
+PJ057121	SSSSTKEH 	C33H55N11O16	861.3828	NA	PeJP	NA	NA
+PJ057122	GDKEEER 	C33H55N11O16	861.3829	NA	PeJP	NA	NA
+PJ057123	APQEMMR 	C34H59N11O11S2	861.3837	NA	PeJP	NA	NA
+PJ057124	GGGGGAPKMM 	C34H59N11O11S2	861.3838	NA	PeJP	NA	NA
+PJ057125	SPNDHHR 	C34H51N15O12	861.3842	NA	PeJP	NA	NA
+PJ057126	PDKMWW 	C42H55N9O9S	861.3844	NA	PeJP	NA	NA
+PJ057127	AAKEEEW 	C38H55N9O14	861.3869	NA	PeJP	NA	NA
+PJ057128	GNNDMRR 	C31H55N15O12S	861.3876	NA	PeJP	NA	NA
+PJ057129	VMMRYY 	C39H59N9O9S2	861.3877	NA	PeJP	NA	NA
+PJ057130	GPLQMMW 	C39H59N9O9S2	861.3878	NA	PeJP	NA	NA
+PJ057131	SNNRWW 	C39H51N13O10	861.3882	NA	PeJP	NA	NA
+PJ057132	CLFFFW 	C47H55N7O7S	861.3884	NA	PeJP	NA	NA
+PJ057133	SPPTTTQM 	C35H59N9O14S	861.3902	NA	PeJP	NA	NA
+PJ057134	PTQKEEM 	C35H59N9O14S	861.3903	NA	PeJP	NA	NA
+PJ057135	PKEYYY 	C43H55N7O12	861.3909	NA	PeJP	NA	NA
+PJ057136	SLLMMMH 	C36H63N9O9S3	861.3911	NA	PeJP	NA	NA
+PJ057137	NQQMRW 	C36H55N13O10S	861.3916	NA	PeJP	NA	NA
+PJ057138	ERWWW 	C44H51N11O8	861.3922	NA	PeJP	NA	NA
+PJ057139	GAHHFFF 	C44H51N11O8	861.3923	NA	PeJP	NA	NA
+MJ096412	5,20-Epoxy-11-taxene-1,2,4,7,9,10,13-heptol, 9-Ketone, 13-[2-hydroxy-3-(4-methylhexanoylamino)-3-phenylpropanoyl], 2-benzoyl, 4,10-di-Ac 	C47H59NO14	861.393555	NA	MeJP	NA	NA
+MJ096413	Taxol?; N-Debenzoyl, N-hexanoyl, N-Me 	C47H59NO14	861.393555	NA	MeJP	NA	NA
+PJ057140	GSEEERR 	C32H55N13O15	861.3941	NA	PeJP	NA	NA
+PJ057141	ATTLMYY 	C40H59N7O12S	861.3943	NA	PeJP	NA	NA
+PJ057142	GPDMMRR 	C33H59N13O10S2	861.395	NA	PeJP	NA	NA
+PJ057143	GNNQHHR 	C33H51N17O11	861.3954	NA	PeJP	NA	NA
+PJ057144	GGGGGQHHR 	C33H51N17O11	861.3955	NA	PeJP	NA	NA
+PJ057145	SPMRWW 	C41H55N11O8S	861.3956	NA	PeJP	NA	NA
+PJ057146	VWWWW 	C49H51N9O6	861.3963	NA	PeJP	NA	NA
+PJ057147	TLLEEEE 	C36H59N7O17	861.3968	NA	PeJP	NA	NA
+PJ057148	PLLEEMM 	C37H63N7O12S2	861.3977	NA	PeJP	NA	NA
+PJ057149	DKEERW 	C37H55N11O13	861.3981	NA	PeJP	NA	NA
+PJ057150	AAPMMRW 	C38H59N11O8S2	861.399	NA	PeJP	NA	NA
+PJ057151	EHHHFR 	C38H51N15O9	861.3995	NA	PeJP	NA	NA
+PJ057152	GLQEEMR 	C34H59N11O13S	861.4015	NA	PeJP	NA	NA
+PJ057153	VDKEWW 	C42H55N9O11	861.4021	NA	PeJP	NA	NA
+PJ057154	GGGPLEFW 	C42H55N9O11	861.4022	NA	PeJP	NA	NA
+PJ057155	PPCKMMR 	C35H63N11O8S3	861.4024	NA	PeJP	NA	NA
+PJ057156	CNQRRW 	C35H55N15O9S	861.4028	NA	PeJP	NA	NA
+PJ057157	VHHHFW 	C43H51N13O7	861.4035	NA	PeJP	NA	NA
+PJ057158	SSNNERR 	C31H55N15O14	861.4053	NA	PeJP	NA	NA
+PJ057159	APTKEMW 	C39H59N9O11S	861.4055	NA	PeJP	NA	NA
+PJ057160	ALFYYW 	C47H55N7O9	861.4062	NA	PeJP	NA	NA
+PJ057161	AKKEEEE 	C35H59N9O16	861.408	NA	PeJP	NA	NA
+PJ057162	PVQKEMM 	C36H63N9O11S2	861.4089	NA	PeJP	NA	NA
+PJ057163	GSNDKRW 	C36H55N13O12	861.4093	NA	PeJP	NA	NA
+PJ057164	SEERRW 	C36H55N13O12	861.4094	NA	PeJP	NA	NA
+PJ057165	AALMFFY 	C44H59N7O9S	861.4095	NA	PeJP	NA	NA
+8144	peptide derived from jumbo squid skin gelatin (Dosidicus gigas)	FDSGPAGVL	861.4099	stimulating	Inhouse_peptide	NA	peptide
+PJ057166	TTTTLYY 	C40H59N7O14	861.412	NA	PeJP	NA	NA
+PJ057167	AAEEMRR 	C33H59N13O12S	861.4127	NA	PeJP	NA	NA
+PJ057168	GGGGGGGGKKM 	C33H59N13O12S	861.4128	NA	PeJP	NA	NA
+PJ057169	SVERWW 	C41H55N11O10	861.4134	NA	PeJP	NA	NA
+PJ057170	GPCHHRR 	C34H55N17O8S	861.4141	NA	PeJP	NA	NA
+PJ057171	VLLEEEM 	C37H63N7O14S	861.4154	NA	PeJP	NA	NA
+PJ057172	LQEMRW 	C38H59N11O10S	861.4167	NA	PeJP	NA	NA
+PJ057173	GALEMRW 	C38H59N11O10S	861.4168	NA	PeJP	NA	NA
+PJ057174	ATLWWW 	C46H55N9O8	861.4174	NA	PeJP	NA	NA
+PJ057175	ATKEEER 	C34H59N11O15	861.4192	NA	PeJP	NA	NA
+PJ057176	SVDKEER 	C34H59N11O15	861.4193	NA	PeJP	NA	NA
+PJ057177	APKEMMR 	C35H63N11O10S2	861.4201	NA	PeJP	NA	NA
+PJ057178	GSSNRRW 	C35H55N15O11	861.4206	NA	PeJP	NA	NA
+PJ057179	VLQMWW 	C43H59N9O8S	861.4208	NA	PeJP	NA	NA
+PJ057180	GTLKEEW 	C39H59N9O13	861.4233	NA	PeJP	NA	NA
+PJ057181	SVCNQRR 	C32H59N15O11S	861.4239	NA	PeJP	NA	NA
+PJ057182	DEMRRR 	C32H59N15O11S	861.424	NA	PeJP	NA	NA
+PJ057183	GPLKMMW 	C40H63N9O8S2	861.4241	NA	PeJP	NA	NA
+PJ057184	GPTKHHW 	C40H55N13O9	861.4246	NA	PeJP	NA	NA
+PJ057185	PTKKEEM 	C36H63N9O13S	861.4266	NA	PeJP	NA	NA
+PJ057186	GGVLKEEM 	C36H63N9O13S	861.4267	NA	PeJP	NA	NA
+PJ057187	LLQYYY 	C44H59N7O11	861.4273	NA	PeJP	NA	NA
+PJ057188	PPKKMMM 	C37H67N9O8S3	861.4275	NA	PeJP	NA	NA
+PJ057189	VDMRRW 	C37H59N13O9S	861.428	NA	PeJP	NA	NA
+PJ057190	APFRWW 	C45H55N11O7	861.4286	NA	PeJP	NA	NA
+PJ057191	ATTEERR 	C33H59N13O14	861.4305	NA	PeJP	NA	NA
+PJ057192	PPLLEMY 	C41H63N7O11S	861.4307	NA	PeJP	NA	NA
+PJ057193	SPCLMRR 	C34H63N13O9S2	861.4313	NA	PeJP	NA	NA
+PJ057194	APTMMRR 	C34H63N13O9S2	861.4314	NA	PeJP	NA	NA
+PJ057195	QEHHRR 	C34H55N17O10	861.4318	NA	PeJP	NA	NA
+PJ057196	ALMRWW 	C42H59N11O7S	861.432	NA	PeJP	NA	NA
+PJ057197	GTTLERW 	C38H59N11O12	861.4345	NA	PeJP	NA	NA
+PJ057198	GSCQRRR 	C31H59N17O10S	861.4352	NA	PeJP	NA	NA
+PJ057199	VQHHRW 	C39H55N15O8	861.4358	NA	PeJP	NA	NA
+PJ057200	GGLHHRW 	C39H55N15O8	861.4359	NA	PeJP	NA	NA
+PJ057201	GLKEEMR 	C35H63N11O12S	861.4379	NA	PeJP	NA	NA
+PJ057202	TLKEWW 	C43H59N9O10	861.4385	NA	PeJP	NA	NA
+PJ057203	CNKRRW 	C36H59N15O8S	861.4392	NA	PeJP	NA	NA
+PJ057204	SSNDKRR 	C32H59N15O13	861.4417	NA	PeJP	NA	NA
+PJ057205	GVLKEMW 	C40H63N9O10S	861.4419	NA	PeJP	NA	NA
+PJ057206	AALFFFF 	C48H59N7O8	861.4425	NA	PeJP	NA	NA
+PJ057207	GVVFFFF 	C48H59N7O8	861.4426	NA	PeJP	NA	NA
+PJ057208	SLKKEEE 	C36H63N9O15	861.4444	NA	PeJP	NA	NA
+PJ057209	PVKKEMM 	C37H67N9O10S2	861.4453	NA	PeJP	NA	NA
+PJ057210	GSTQKRW 	C37H59N13O11	861.4457	NA	PeJP	NA	NA
+PJ057211	GGGGAPKRY 	C37H59N13O11	861.4458	NA	PeJP	NA	NA
+PJ057212	AHHRRW 	C38H55N17O7	861.4471	NA	PeJP	NA	NA
+PJ057213	PVLLEEY 	C41H63N7O13	861.4484	NA	PeJP	NA	NA
+PJ057214	GTLEMRR 	C34H63N13O11S	861.4491	NA	PeJP	NA	NA
+PJ057215	SQKKWW 	C42H59N11O9	861.4497	NA	PeJP	NA	NA
+PJ057216	TTLRWW 	C42H59N11O9	861.4498	NA	PeJP	NA	NA
+PJ057217	SSSNRRR 	C31H59N17O12	861.4529	NA	PeJP	NA	NA
+PJ057218	GGSSSRRR 	C31H59N17O12	861.453	NA	PeJP	NA	NA
+PJ057219	LKEMRW 	C39H63N11O9S	861.4531	NA	PeJP	NA	NA
+PJ057220	PVKFWW 	C47H59N9O7	861.4538	NA	PeJP	NA	NA
+PJ057221	STLKEER 	C35H63N11O14	861.4556	NA	PeJP	NA	NA
+PJ057222	SPLKMMR 	C36H67N11O9S2	861.4565	NA	PeJP	NA	NA
+PJ057223	PDRRRY 	C36H59N15O10	861.457	NA	PeJP	NA	NA
+PJ057224	VLKMWW 	C44H63N9O7S	861.4572	NA	PeJP	NA	NA
+PJ057225	SSLLKEW 	C40H63N9O12	861.4596	NA	PeJP	NA	NA
+PJ057226	VVTTKEW 	C40H63N9O12	861.4597	NA	PeJP	NA	NA
+PJ057227	GSQKMRR 	C33H63N15O10S	861.4603	NA	PeJP	NA	NA
+PJ057228	GGGTKMRR 	C33H63N15O10S	861.4604	NA	PeJP	NA	NA
+PJ057229	PTFRRW 	C41H59N13O8	861.461	NA	PeJP	NA	NA
+PJ057230	VVKKEEM 	C37H67N9O12S	861.463	NA	PeJP	NA	NA
+PJ057231	LLKYYY 	C45H63N7O10	861.4637	NA	PeJP	NA	NA
+PJ057232	TLMRRW 	C38H63N13O8S	861.4644	NA	PeJP	NA	NA
+PJ057233	STTLERR 	C34H63N13O13	861.4669	NA	PeJP	NA	NA
+PJ057234	PLLLEMF 	C42H67N7O10S	861.4671	NA	PeJP	NA	NA
+PJ057235	GVLMMRR 	C35H67N13O8S2	861.4677	NA	PeJP	NA	NA
+PJ057236	NNFRRR 	C35H59N17O9	861.4682	NA	PeJP	NA	NA
+PJ057237	LLLLEMM 	C39H71N7O10S2	861.4704	NA	PeJP	NA	NA
+PJ057238	SSTLLRW 	C39H63N11O11	861.4709	NA	PeJP	NA	NA
+PJ057239	GSCKRRR 	C32H63N17O9S	861.4716	NA	PeJP	NA	NA
+MJ096414	Ancorinoside C 	C42H71NO17	861.472199	NA	MeJP	NA	NA
+MJ096415	Leucomycin A3; 10,11,12,13-Tetrahydro, 12?,13?-dihydroxy, 9-ketone 	C42H71NO17	861.472199	NA	MeJP	NA	NA
+PJ057240	VKHHRW 	C40H59N15O7	861.4722	NA	PeJP	NA	NA
+PJ057241	SVLKEMR 	C36H67N11O11S	861.4743	NA	PeJP	NA	NA
+PJ057242	GPVLKYW 	C44H63N9O9	861.4749	NA	PeJP	NA	NA
+PJ057243	PMFRRR 	C37H63N15O7S	861.4756	NA	PeJP	NA	NA
+PJ057244	SSTQKRR 	C33H63N15O12	861.4781	NA	PeJP	NA	NA
+PJ057245	ATLLKMW 	C41H67N9O9S	861.4783	NA	PeJP	NA	NA
+PJ057246	LMMRRR 	C34H67N15O7S2	861.479	NA	PeJP	NA	NA
+PJ057247	THHRRR 	C34H59N19O8	861.4794	NA	PeJP	NA	NA
+PJ057248	GTTTLLKE 	C37H67N9O14	861.4808	NA	PeJP	NA	NA
+PJ057249	VLLQKMM 	C38H71N9O9S2	861.4817	NA	PeJP	NA	NA
+PJ057250	GSTKKRW 	C38H63N13O10	861.4821	NA	PeJP	NA	NA
+PJ057251	VLLLEEF 	C42H67N7O12	861.4848	NA	PeJP	NA	NA
+PJ057252	SSLLMRR 	C35H67N13O10S	861.4855	NA	PeJP	NA	NA
+PJ057253	SKKKWW 	C43H63N11O8	861.4861	NA	PeJP	NA	NA
+PJ057254	GALLFRW 	C43H63N11O8	861.4862	NA	PeJP	NA	NA
+MJ096416	Okadaic acid; Glycine amide 	C46H71NO14	861.487455	NA	MeJP	NA	NA
+PJ057255	AAKKKMW 	C40H67N11O8S	861.4895	NA	PeJP	NA	NA
+PJ057256	SSSSLLLR 	C36H67N11O13	861.492	NA	PeJP	NA	NA
+PJ057257	ALLKMMR 	C37H71N11O8S2	861.4929	NA	PeJP	NA	NA
+PJ057258	VEFRRR 	C37H63N15O9	861.4934	NA	PeJP	NA	NA
+PJ057259	TTTLLKW 	C41H67N9O11	861.496	NA	PeJP	NA	NA
+PJ057260	GGGGLLLLY 	C41H67N9O11	861.4961	NA	PeJP	NA	NA
+PJ057261	GSKKMRR 	C34H67N15O9S	861.4967	NA	PeJP	NA	NA
+PJ057262	VVFRRW 	C42H63N13O7	861.4974	NA	PeJP	NA	NA
+PJ057263	TLLKKEM 	C38H71N9O11S	861.4994	NA	PeJP	NA	NA
+PJ057264	PPLLLFY 	C46H67N7O9	861.5001	NA	PeJP	NA	NA
+PJ057265	SSKKKER 	C35H67N13O12	861.5032	NA	PeJP	NA	NA
+PJ057266	GSSSLKKR 	C35H67N13O12	861.5033	NA	PeJP	NA	NA
+PJ057267	PLLLLMY 	C43H71N7O9S	861.5034	NA	PeJP	NA	NA
+PJ057268	ATTKKKW 	C40H67N11O10	861.5073	NA	PeJP	NA	NA
+MJ096417	Erythromycin; 2'-(Ethyl butanedioate) 	C43H75NO16	861.508585	NA	MeJP	NA	NA
+C12796	Erythromycin ethylsuccinate	C43H75NO16	861.5086	NA	KEGG	NA	NA
+PJ057269	TTLLKMR 	C37H71N11O10S	861.5106	NA	PeJP	NA	NA
+PJ057270	GGTLKKKM 	C37H71N11O10S	861.5107	NA	PeJP	NA	NA
+PJ057271	GVLLKFW 	C45H67N9O8	861.5113	NA	PeJP	NA	NA
+PJ057272	SSTKKRR 	C34H67N15O11	861.5145	NA	PeJP	NA	NA
+PJ057273	PVLKKMF 	C42H71N9O8S	861.5147	NA	PeJP	NA	NA
+PJ057274	SSTTLLLK 	C38H71N9O13	861.5172	NA	PeJP	NA	NA
+PJ057275	VLLKKMM 	C39H75N9O8S2	861.518	NA	PeJP	NA	NA
+PJ057276	AALLRRY 	C39H67N13O9	861.5185	NA	PeJP	NA	NA
+PJ057277	VLLLLEY 	C43H71N7O11	861.5212	NA	PeJP	NA	NA
+PJ057278	ATKKKMR 	C36H71N13O9S	861.5219	NA	PeJP	NA	NA
+PJ057279	LLKFRW 	C44H67N11O7	861.5225	NA	PeJP	NA	NA
+PJ057280	TTKKKKE 	C37H71N11O12	861.5284	NA	PeJP	NA	NA
+PJ057281	VLRRRY 	C38H67N15O8	861.5297	NA	PeJP	NA	NA
+PJ057282	GAKKFRR 	C38H67N15O8	861.5298	NA	PeJP	NA	NA
+PJ057283	PTLLKKY 	C42H71N9O10	861.5324	NA	PeJP	NA	NA
+PJ057284	PLLLLFF 	C47H71N7O8	861.5365	NA	PeJP	NA	NA
+PJ057285	TTTKKKR 	C36H71N13O11	861.5396	NA	PeJP	NA	NA
+PJ057286	LLLLLMF 	C44H75N7O8S	861.5398	NA	PeJP	NA	NA
+PJ057287	GLLLKRY 	C41H71N11O9	861.5437	NA	PeJP	NA	NA
+PJ057288	SLKKKKM 	C38H75N11O9S	861.547	NA	PeJP	NA	NA
+PJ057289	GVKKKFR 	C40H71N13O8	861.5549	NA	PeJP	NA	NA
+PJ057290	KKKFRR 	C39H71N15O7	861.5661	NA	PeJP	NA	NA
+PJ057291	VVLLKKY 	C43H75N9O9	861.5688	NA	PeJP	NA	NA
+PJ057292	ALKKKKF 	C42H75N11O8	861.5801	NA	PeJP	NA	NA
+HMDB04833	Galabiosylceramide (d18:1/16:0)	C46H87NO13	861.617737	NA	HMDB2010	NA	NA
+HMDB06750	Lactosylceramide (d18:1/16:0)	C46H87NO13	861.617737	NA	HMDB2010	NA	NA
+HMDB04833	Galabiosylceramide (d18:1/16:0)	C46H87NO13	861.61774	http://www.hmdb.ca/metabolites/HMDB04833	HMDB	NA	NA
+HMDB04868	Lactosylceramide (d18:1/16:0)	C46H87NO13	861.61774	http://www.hmdb.ca/metabolites/HMDB04868	HMDB	NA	NA
+HMDB04833	Galabiosylceramide (d18:1/16:0)	C46H87NO13	861.61774	HMDB04833	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04868	Lactosylceramide (d18:1/16:0)	C46H87NO13	861.61774	HMDB04868	PFEM_hmdb_metabocards_official	NA	NA
+HMDB08288	PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08319	PC(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08320	PC(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08351	PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08448	PC(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08481	PC(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08513	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08576	PC(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08607	PC(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08608	PC(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08637	PC(22:4(7Z,10Z,13Z,16Z)/20:2(11Z,14Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08669	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08702	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+HMDB08734	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)	C50H88NO8P	861.624756	NA	HMDB2010	NA	NA
+MJ096418	Manzamenone A; [2-(4-Hydroxyphenyl)ethyl]amide 	C54H87NO7	861.648254	NA	MeJP	NA	NA
+EUR1117	SM(d18:1/24:0) [M+FA-H]-	C47H96N2O6P	861.705481	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1117	SM(d18:1/24:0) [M+FA-H]-	C47H96N2O6P	861.705481	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1117	SM(d18:1/24:0) [M+FA-H]-	C47H96N2O6P	861.705481	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1117	SM(d18:1/24:0) [M+FA-H]-	C47H96N2O6P	861.705481	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096419	Iosarcol 	C21H29I3N4O9	861.906858	NA	MeJP	NA	NA
+PJ057293	SCCCCDDD 	C27H42N8O16S4	862.1602	NA	PeJP	NA	NA
+PJ057294	PCCCCCCE 	C28H46N8O11S6	862.1611	NA	PeJP	NA	NA
+MJ096420	3,3',4',5,7-Pentahydroxyflavan(2?7,4?6)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan 	C45H34O18	862.174514	NA	MeJP	NA	NA
+MJ096421	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan 	C45H34O18	862.174514	NA	MeJP	NA	NA
+PJ057295	GCCCCDEM 	C28H46N8O13S5	862.1788	NA	PeJP	NA	NA
+PJ057296	SCCCCCNQ 	C27H46N10O12S5	862.1901	NA	PeJP	NA	NA
+PJ057297	CCCCDMW 	C32H46N8O10S5	862.1941	NA	PeJP	NA	NA
+C10404	Sennoside A	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13526	Sennoside B	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13527	Transferred to D02024	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13528	Transferred to D02025	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13529	Transferred to D02026	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13530	Transferred to D02027	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13531	Transferred to D02028	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13532	Transferred to D02029	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13533	Transferred to D02030	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13940	Sennoside	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13941	Transferred to D02172	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13942	Transferred to D02173	C42H38O20	862.1956	NA	KEGG	NA	NA
+C13944	Transferred to D02174	C42H38O20	862.1956	NA	KEGG	NA	NA
+HMDB02783	Sennoside B	C42H38O20	862.195618	NA	HMDB2010	NA	NA
+HMDB02783	Sennoside B	C42H38O20	862.19562	http://www.hmdb.ca/metabolites/HMDB02783	HMDB	NA	NA
+HMDB02783	Sennoside B	C42H38O20	862.19562	HMDB02783	PFEM_hmdb_metabocards_official	NA	NA
+MJ096422	Amentoflavone; 4',4'''-Di-O-?-D-glucopyranoside 	C42H38O20	862.195643	NA	MeJP	NA	NA
+MJ096423	Amentoflavone; 4',7''-Di-O-?-D-glucopyranoside 	C42H38O20	862.195643	NA	MeJP	NA	NA
+MJ096424	Sennidin, 5,5'-Di-O-?-D-glucopyranoside 	C42H38O20	862.195643	NA	MeJP	NA	NA
+PJ057298	SSCCCDDM 	C28H46N8O15S4	862.1966	NA	PeJP	NA	NA
+PJ057299	PTCCCCCM 	C29H50N8O10S6	862.1975	NA	PeJP	NA	NA
+PJ057300	GSSSCCCCN 	C27H46N10O14S4	862.2078	NA	PeJP	NA	NA
+PJ057301	GPCCCCDY 	C32H46N8O12S4	862.2118	NA	PeJP	NA	NA
+PJ057302	GSCCCEMM 	C29H50N8O12S5	862.2152	NA	PeJP	NA	NA
+PJ057303	GCCCCNNF 	C31H46N10O11S4	862.2231	NA	PeJP	NA	NA
+PJ057304	SCCCCCNK 	C28H50N10O11S5	862.2264	NA	PeJP	NA	NA
+PJ057305	GGSCCCCCK 	C28H50N10O11S5	862.2265	NA	PeJP	NA	NA
+PJ057306	CCNDDMY 	C32H46N8O14S3	862.2296	NA	PeJP	NA	NA
+PJ057307	SCCCMMW 	C33H50N8O9S5	862.2305	NA	PeJP	NA	NA
+PJ057308	SSSCCDMM 	C29H50N8O14S4	862.233	NA	PeJP	NA	NA
+PJ057309	CCNMMMM 	C30H54N8O9S6	862.2338	NA	PeJP	NA	NA
+PJ057310	GTCCCCHH 	C30H46N12O10S4	862.2343	NA	PeJP	NA	NA
+PJ057311	GSCDDDDH 	C30H42N10O18S	862.24	NA	PeJP	NA	NA
+PJ057312	GSCCCNNY 	C31H46N10O13S3	862.2408	NA	PeJP	NA	NA
+PJ057313	GCCCEYW 	C36H46N8O11S3	862.2449	NA	PeJP	NA	NA
+PJ057314	GPDDDDDD 	C31H42N8O21	862.2465	NA	PeJP	NA	NA
+PJ057315	GSSCCDEY 	C32H46N8O16S2	862.2474	NA	PeJP	NA	NA
+PJ057316	GSPCCCMY 	C33H50N8O11S4	862.2482	NA	PeJP	NA	NA
+PJ057317	GSTCCMMM 	C30H54N8O11S5	862.2516	NA	PeJP	NA	NA
+PJ057318	SSSCCCHH 	C30H46N12O12S3	862.2521	NA	PeJP	NA	NA
+MJ096425	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,3,4,6-tetra-Ac 	C40H46O21	862.253158	NA	MeJP	NA	NA
+MJ096426	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-), 1',2,3,6-tetra-Ac 	C40H46O21	862.253158	NA	MeJP	NA	NA
+MJ096427	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-), 1',2,4,6-tetra-Ac 	C40H46O21	862.253158	NA	MeJP	NA	NA
+MJ096428	Sucrose; 3',6'-Bis-O-(4-hydroxy-3-methoxycinnamoyl)(E,E-), 1',3,4,6-tetra-Ac 	C40H46O21	862.253158	NA	MeJP	NA	NA
+PJ057319	PCCCDHW 	C35H46N10O10S3	862.2561	NA	PeJP	NA	NA
+PJ057320	CNDDEMH 	C31H46N10O15S2	862.2586	NA	PeJP	NA	NA
+PJ057321	CCCCEFR 	C32H50N10O10S4	862.2595	NA	PeJP	NA	NA
+PJ057322	CCCYWW 	C40H46N8O8S3	862.2601	NA	PeJP	NA	NA
+PJ057323	SSCCDYW 	C36H46N8O13S2	862.2626	NA	PeJP	NA	NA
+PJ057324	ACCCMFW 	C37H50N8O8S4	862.2635	NA	PeJP	NA	NA
+PJ057325	SSSSCDDY 	C32H46N8O18S	862.2651	NA	PeJP	NA	NA
+PJ057326	SCNDMMY 	C33H50N8O13S3	862.266	NA	PeJP	NA	NA
+PJ057327	CCCNHHF 	C34H46N12O9S3	862.2673	NA	PeJP	NA	NA
+MJ096429	Catalpol; 6-O-[4-Hydroxy-E-cinnamoyl-(?4)-2,3-di-O-benzoyl-?-L-rhamnopyranoside] 	C44H46O18	862.268414	NA	MeJP	NA	NA
+PJ057328	SSSSCMMM 	C30H54N8O13S4	862.2693	NA	PeJP	NA	NA
+PJ057329	CCDDDHR 	C30H46N12O14S2	862.2698	NA	PeJP	NA	NA
+PJ057330	ACCDEHW 	C35H46N10O12S2	862.2738	NA	PeJP	NA	NA
+PJ057331	GCDDMHW 	C35H46N10O12S2	862.2739	NA	PeJP	NA	NA
+PJ057332	ASSCDDEH 	C31H46N10O17S	862.2763	NA	PeJP	NA	NA
+PJ057333	GSSDDDMH 	C31H46N10O17S	862.2764	NA	PeJP	NA	NA
+PJ057334	SCCCERY 	C32H50N10O12S3	862.2772	NA	PeJP	NA	NA
+PJ057335	GCNDEYY 	C36H46N8O15S	862.2804	NA	PeJP	NA	NA
+PJ057336	GTCCMYW 	C37H50N8O10S3	862.2812	NA	PeJP	NA	NA
+PJ057337	GSPDDDEE 	C32H46N8O20	862.2829	NA	PeJP	NA	NA
+PJ057338	GSSSCEMY 	C33H50N8O15S2	862.2837	NA	PeJP	NA	NA
+PJ057339	GPPCDDEM 	C33H50N8O15S2	862.2838	NA	PeJP	NA	NA
+PJ057340	GCQMMMY 	C34H54N8O10S4	862.2846	NA	PeJP	NA	NA
+PJ057341	SCCNNHW 	C34H46N12O11S2	862.2851	NA	PeJP	NA	NA
+PJ057342	SSSCNNDH 	C30H46N12O16S	862.2876	NA	PeJP	NA	NA
+PJ057343	CNNNMMH 	C31H50N12O11S3	862.2884	NA	PeJP	NA	NA
+PJ057344	GGCNNMMH 	C31H50N12O11S3	862.2885	NA	PeJP	NA	NA
+PJ057345	CCEHWW 	C39H46N10O9S2	862.2891	NA	PeJP	NA	NA
+MJ096430	Lisianthioside; 4'-(4-Hydroxy-E-cinnamoyl) 	C41H50O20	862.289544	NA	MeJP	NA	NA
+MJ096431	Lisianthioside; 4'-(4-Hydroxy-Z-cinnamoyl) 	C41H50O20	862.289544	NA	MeJP	NA	NA
+MJ096432	Sirochlorin 	C42H46N4O16	862.290881	NA	MeJP	NA	NA
+MetaCyc04204	sirohydrochlorin [Precorrin;]	C42H46N4O16	862.290881	65207-12-7	metacyc	NA	NA
+C05778	Sirohydrochlorin	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05779	Apoferritin	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05780	Apotransferrin	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05781	Oxyhemoglobin	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05782	Myoglobin	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05783	Cytochrome a	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05784	Catalase	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+C05785	Peroxidase	C42H46N4O16	862.2909	NA	KEGG	NA	NA
+PJ057346	SSCDEHW 	C35H46N10O14S	862.2916	NA	PeJP	NA	NA
+PJ057347	SPCCMHW 	C36H50N10O9S3	862.2925	NA	PeJP	NA	NA
+PJ057348	SSSSDDEH 	C31H46N10O19	862.2941	NA	PeJP	NA	NA
+PJ057349	SNDEMMH 	C32H50N10O14S2	862.295	NA	PeJP	NA	NA
+PJ057350	CNDYYW 	C40H46N8O12S	862.2956	NA	PeJP	NA	NA
+PJ057351	GCCMMRY 	C33H54N10O9S4	862.2958	NA	PeJP	NA	NA
+PJ057352	GGPCMMMH 	C33H54N10O9S4	862.2959	NA	PeJP	NA	NA
+PJ057353	SPDDDEW 	C36H46N8O17	862.2981	NA	PeJP	NA	NA
+PJ057354	GCNNNNNN 	C29H46N14O15S	862.2988	NA	PeJP	NA	NA
+PJ057355	GGGGGGGGGGGCN 	C29H46N14O15S	862.2989	NA	PeJP	NA	NA
+PJ057356	SSSCMYW 	C37H50N8O12S2	862.299	NA	PeJP	NA	NA
+PJ057357	CCCNQHR 	C30H50N14O10S3	862.2997	NA	PeJP	NA	NA
+PJ057358	SSSSSDMY 	C33H50N8O17S	862.3015	NA	PeJP	NA	NA
+PJ057359	SSNMMMY 	C34H54N8O12S3	862.3024	NA	PeJP	NA	NA
+PJ057360	CNNNDHF 	C34H46N12O13S	862.3028	NA	PeJP	NA	NA
+PJ057361	GGGGCNDHF 	C34H46N12O13S	862.3029	NA	PeJP	NA	NA
+PJ057362	NNDDDDR 	C30H46N12O18	862.3053	NA	PeJP	NA	NA
+PJ057363	GGNDDDDR 	C30H46N12O18	862.3054	NA	PeJP	NA	NA
+PJ057364	EEEMYY 	C38H50N6O15S	862.3055	NA	PeJP	NA	NA
+PJ057365	SCDDMHR 	C31H50N12O13S2	862.3062	NA	PeJP	NA	NA
+PJ057366	GNNDEEW 	C35H46N10O16	862.3094	NA	PeJP	NA	NA
+PJ057367	GSDMMHW 	C36H50N10O11S2	862.3102	NA	PeJP	NA	NA
+PJ057368	PDDDDMR 	C32H50N10O16S	862.3127	NA	PeJP	NA	NA
+PJ057369	GGGGGSPDEM 	C32H50N10O16S	862.3128	NA	PeJP	NA	NA
+PJ057370	STCCMRY 	C33H54N10O11S3	862.3136	NA	PeJP	NA	NA
+PJ057371	SCNEHHH 	C33H46N14O12S	862.3141	NA	PeJP	NA	NA
+PJ057372	CNMFYW 	C41H50N8O9S2	862.3142	NA	PeJP	NA	NA
+PJ057373	GGCMFYW 	C41H50N8O9S2	862.3143	NA	PeJP	NA	NA
+PJ057374	GSNEMYY 	C37H50N8O14S	862.3167	NA	PeJP	NA	NA
+MJ096433	Phallisacin 	C37H50N8O14S	862.316719	NA	MeJP	NA	NA
+PJ057375	GPDEEMW 	C37H50N8O14S	862.3168	NA	PeJP	NA	NA
+PJ057376	GSSCCNHR 	C30H50N14O12S2	862.3174	NA	PeJP	NA	NA
+PJ057377	GGGSSCCHR 	C30H50N14O12S2	862.3175	NA	PeJP	NA	NA
+PJ057378	PCCCKFY 	C38H54N8O9S3	862.3176	NA	PeJP	NA	NA
+PJ057379	AQEEEEE 	C33H50N8O19	862.3193	NA	PeJP	NA	NA
+PJ057380	GSSSTMMY 	C34H54N8O14S2	862.3201	NA	PeJP	NA	NA
+PJ057381	SNNNNDW 	C34H46N12O15	862.3206	NA	PeJP	NA	NA
+PJ057382	GCKMMMY 	C35H58N8O9S4	862.321	NA	PeJP	NA	NA
+PJ057383	CNNQQQE 	C31H50N12O15S	862.3239	NA	PeJP	NA	NA
+PJ057384	GSPCNDDR 	C31H50N12O15S	862.324	NA	PeJP	NA	NA
+PJ057385	NNDEWW 	C39H46N10O13	862.3246	NA	PeJP	NA	NA
+PJ057386	GCEMMHR 	C32H54N12O10S3	862.3248	NA	PeJP	NA	NA
+PJ057387	GGAPPCCCR 	C32H54N12O10S3	862.3249	NA	PeJP	NA	NA
+PJ057388	TCMHWW 	C40H50N10O8S2	862.3255	NA	PeJP	NA	NA
+PJ057389	SSSEMHW 	C36H50N10O13S	862.328	NA	PeJP	NA	NA
+PJ057390	QMMMHW 	C37H54N10O8S3	862.3289	NA	PeJP	NA	NA
+PJ057391	GSCHHHW 	C37H46N14O9S	862.3293	NA	PeJP	NA	NA
+PJ057392	GDEEEER 	C32H50N10O18	862.3305	NA	PeJP	NA	NA
+PJ057393	STQEMMH 	C33H54N10O13S2	862.3314	NA	PeJP	NA	NA
+PJ057394	GSSSDHHH 	C33H46N14O14	862.3318	NA	PeJP	NA	NA
+PJ057395	PDEMWW 	C41H50N8O11S	862.332	NA	PeJP	NA	NA
+PJ057396	GNMMHHH 	C34H50N14O9S2	862.3327	NA	PeJP	NA	NA
+PJ057397	AAEEEEW 	C37H50N8O16	862.3345	NA	PeJP	NA	NA
+PJ057398	CNNNNER 	C30H50N14O14S	862.3352	NA	PeJP	NA	NA
+PJ057399	SPPDMMW 	C38H54N8O11S2	862.3354	NA	PeJP	NA	NA
+PJ057400	GPDDHHW 	C38H46N12O12	862.3359	NA	PeJP	NA	NA
+PJ057401	CCCNKHR 	C31H54N14O9S3	862.3361	NA	PeJP	NA	NA
+PJ057402	SSSSTTMY 	C34H54N8O16S	862.3379	NA	PeJP	NA	NA
+PJ057403	PEEYYY 	C42H50N6O14	862.3385	NA	PeJP	NA	NA
+PJ057404	STCKMMY 	C35H58N8O11S3	862.3387	NA	PeJP	NA	NA
+PJ057405	PPQEMMM 	C35H58N8O11S3	862.3388	NA	PeJP	NA	NA
+PJ057406	GNNNQMW 	C35H50N12O12S	862.3392	NA	PeJP	NA	NA
+PJ057407	GGGGGGGGAMW 	C35H50N12O12S	862.3393	NA	PeJP	NA	NA
+PJ057408	GNDWWW 	C43H46N10O10	862.3399	NA	PeJP	NA	NA
+PJ057409	CMMHRW 	C36H54N12O7S3	862.3401	NA	PeJP	NA	NA
+MJ096434	Bimosiamose 	C46H54O16	862.341185	NA	MeJP	NA	NA
+MJ096435	Tetraflavaspidic acid 	C46H54O16	862.341185	NA	MeJP	NA	NA
+PJ057410	SNNDEER 	C31H50N12O17	862.3417	NA	PeJP	NA	NA
+PJ057411	GGGGGGGGGTTE 	C31H50N12O17	862.3418	NA	PeJP	NA	NA
+PJ057412	SSDMMHR 	C32H54N12O12S2	862.3426	NA	PeJP	NA	NA
+PJ057413	NNNNNHH 	C32H46N16O13	862.3431	NA	PeJP	NA	NA
+PJ057414	GSPCQWW 	C40H50N10O10S	862.3432	NA	PeJP	NA	NA
+PJ057415	GGGPTCWW 	C40H50N10O10S	862.3433	NA	PeJP	NA	NA
+PJ057416	ACCHHHR 	C33H50N16O8S2	862.3439	NA	PeJP	NA	NA
+PJ057417	GSQQEEW 	C36H50N10O15	862.3457	NA	PeJP	NA	NA
+PJ057418	DEEERW 	C36H50N10O15	862.3458	NA	PeJP	NA	NA
+PJ057419	GTTMMHW 	C37H54N10O10S2	862.3466	NA	PeJP	NA	NA
+PJ057420	GNDHHHF 	C37H46N14O11	862.3471	NA	PeJP	NA	NA
+PJ057421	CNFFFW 	C45H50N8O8S	862.3473	NA	PeJP	NA	NA
+PJ057422	SPDEEMR 	C33H54N10O15S	862.3491	NA	PeJP	NA	NA
+PJ057423	SSSSFYW 	C41H50N8O13	862.3497	NA	PeJP	NA	NA
+PJ057424	VDEEWW 	C41H50N8O13	862.3498	NA	PeJP	NA	NA
+PJ057425	PPCEMMR 	C34H58N10O10S3	862.35	NA	PeJP	NA	NA
+PJ057426	GCNNNRW 	C34H50N14O11S	862.3505	NA	PeJP	NA	NA
+PJ057427	GSSNNNDR 	C30H50N14O16	862.353	NA	PeJP	NA	NA
+PJ057428	APTEEMW 	C38H54N8O13S	862.3531	NA	PeJP	NA	NA
+PJ057429	GGPPEEMF 	C38H54N8O13S	862.3532	NA	PeJP	NA	NA
+PJ057430	PCCNDRR 	C31H54N14O11S2	862.3538	NA	PeJP	NA	NA
+PJ057431	APPMMMW 	C39H58N8O8S3	862.354	NA	PeJP	NA	NA
+PJ057432	CDHFRW 	C39H50N12O9S	862.3545	NA	PeJP	NA	NA
+PJ057433	AKEEEEE 	C34H54N8O18	862.3556	NA	PeJP	NA	NA
+PJ057434	GGTLEEEE 	C34H54N8O18	862.3557	NA	PeJP	NA	NA
+PJ057435	PVQEEMM 	C35H58N8O13S2	862.3565	NA	PeJP	NA	NA
+PJ057436	GSNDERW 	C35H50N12O14	862.357	NA	PeJP	NA	NA
+PJ057437	APCCQRW 	C36H54N12O9S2	862.3578	NA	PeJP	NA	NA
+PJ057438	GPCNMRW 	C36H54N12O9S2	862.3579	NA	PeJP	NA	NA
+PJ057439	GMHFWW 	C44H50N10O7S	862.3585	NA	PeJP	NA	NA
+PJ057440	ACQQEER 	C32H54N12O14S	862.3603	NA	PeJP	NA	NA
+PJ057441	GNQEEMR 	C32H54N12O14S	862.3604	NA	PeJP	NA	NA
+PJ057442	SQQEWW 	C40H50N10O12	862.361	NA	PeJP	NA	NA
+PJ057443	GTMMMHR 	C33H58N12O9S3	862.3612	NA	PeJP	NA	NA
+PJ057444	SSCHHHR 	C33H50N16O10S	862.3617	NA	PeJP	NA	NA
+C12411	Urdamycin F	C43H58O18	862.3623	NA	KEGG	NA	NA
+MJ096436	Urdamycin A; 5,6-Dihydro, 6?-hydroxy 	C43H58O18	862.362315	NA	MeJP	NA	NA
+PJ057445	STTTMHW 	C37H54N10O12S	862.3644	NA	PeJP	NA	NA
+PJ057446	PPDYWW 	C45H50N8O10	862.365	NA	PeJP	NA	NA
+PJ057447	KMMMHW 	C38H58N10O7S3	862.3652	NA	PeJP	NA	NA
+PJ057448	ATEEEER 	C33H54N10O17	862.3669	NA	PeJP	NA	NA
+PJ057449	APEEMMR 	C34H58N10O12S2	862.3677	NA	PeJP	NA	NA
+PJ057450	PVDDMMR 	C34H58N10O12S2	862.3678	NA	PeJP	NA	NA
+PJ057451	SPDDHHR 	C34H50N14O13	862.3682	NA	PeJP	NA	NA
+PJ057452	GGGGGGGGGPPH 	C34H50N14O13	862.3683	NA	PeJP	NA	NA
+PJ057453	TCKYYW 	C42H54N8O10S	862.3684	NA	PeJP	NA	NA
+PJ057454	ACKMHHH 	C35H54N14O8S2	862.3691	NA	PeJP	NA	NA
+PJ057455	GTLEEEW 	C38H54N8O15	862.3709	NA	PeJP	NA	NA
+PJ057456	GNDDMRR 	C31H54N14O13S	862.3716	NA	PeJP	NA	NA
+PJ057457	GPLEMMW 	C39H58N8O10S2	862.3718	NA	PeJP	NA	NA
+PJ057458	SNDRWW 	C39H50N12O11	862.3722	NA	PeJP	NA	NA
+PJ057459	GGGGGQHFF 	C39H50N12O11	862.3723	NA	PeJP	NA	NA
+PJ057460	PTKEEEM 	C35H58N8O15S	862.3743	NA	PeJP	NA	NA
+PJ057461	LEEFYY 	C43H54N6O13	862.3749	NA	PeJP	NA	NA
+PJ057462	PPKEMMM 	C36H62N8O10S3	862.3751	NA	PeJP	NA	NA
+PJ057463	NQEMRW 	C36H54N12O11S	862.3756	NA	PeJP	NA	NA
+PJ057464	GTQWWW 	C44H50N10O9	862.3763	NA	PeJP	NA	NA
+PJ057465	SSQQEER 	C32H54N12O16	862.3781	NA	PeJP	NA	NA
+PJ057466	STTMMHR 	C33H58N12O11S2	862.379	NA	PeJP	NA	NA
+PJ057467	GNNEHHR 	C33H50N16O12	862.3794	NA	PeJP	NA	NA
+PJ057468	GGGNEHHR 	C33H50N16O12	862.3795	NA	PeJP	NA	NA
+PJ057469	VNQMWW 	C41H54N10O9S	862.3796	NA	PeJP	NA	NA
+PJ057470	GSQKEEW 	C37H54N10O14	862.3821	NA	PeJP	NA	NA
+PJ057471	GGGGGGPLEY 	C37H54N10O14	862.3822	NA	PeJP	NA	NA
+PJ057472	SCNNNRR 	C30H54N16O12S	862.3828	NA	PeJP	NA	NA
+PJ057473	GPNKMMW 	C38H58N10O9S2	862.383	NA	PeJP	NA	NA
+PJ057474	QQQHHW 	C38H50N14O10	862.3835	NA	PeJP	NA	NA
+PJ057475	PPMFWW 	C46H54N8O7S	862.3837	NA	PeJP	NA	NA
+PJ057476	GLEEEMR 	C34H58N10O14S	862.3855	NA	PeJP	NA	NA
+PJ057477	SPPTEFW 	C42H54N8O12	862.3861	NA	PeJP	NA	NA
+PJ057478	TLEEWW 	C42H54N8O12	862.3862	NA	PeJP	NA	NA
+PJ057479	PPTMMMR 	C35H62N10O9S3	862.3864	NA	PeJP	NA	NA
+PJ057480	CNERRW 	C35H54N14O10S	862.3868	NA	PeJP	NA	NA
+PJ057481	GGCERRW 	C35H54N14O10S	862.3869	NA	PeJP	NA	NA
+PJ057482	PLMMWW 	C43H58N8O7S2	862.387	NA	PeJP	NA	NA
+PJ057483	PTHHWW 	C43H50N12O8	862.3875	NA	PeJP	NA	NA
+PJ057484	SSNDERR 	C31H54N14O15	862.3893	NA	PeJP	NA	NA
+PJ057485	GGSSDERR 	C31H54N14O15	862.3894	NA	PeJP	NA	NA
+PJ057486	GVLEEMW 	C39H58N8O12S	862.3895	NA	PeJP	NA	NA
+PJ057487	SPCNMRR 	C32H58N14O10S2	862.3902	NA	PeJP	NA	NA
+PJ057488	GQMRWW 	C40H54N12O8S	862.3909	NA	PeJP	NA	NA
+PJ057489	SLKEEEE 	C35H58N8O17	862.392	NA	PeJP	NA	NA
+PJ057490	PVKEEMM 	C36H62N8O12S2	862.3929	NA	PeJP	NA	NA
+PJ057491	STNNNKW 	C36H54N12O13	862.3933	NA	PeJP	NA	NA
+PJ057492	GSTQERW 	C36H54N12O13	862.3934	NA	PeJP	NA	NA
+PJ057493	APCCKRW 	C37H58N12O8S2	862.3942	NA	PeJP	NA	NA
+PJ057494	NNHHRW 	C37H50N16O9	862.3947	NA	PeJP	NA	NA
+PJ057495	GNKEEMR 	C33H58N12O13S	862.3967	NA	PeJP	NA	NA
+PJ057496	GGGKEEMR 	C33H58N12O13S	862.3968	NA	PeJP	NA	NA
+PJ057497	SQKEWW 	C41H54N10O11	862.3974	NA	PeJP	NA	NA
+PJ057498	ASLQQMW 	C38H58N10O11S	862.4007	NA	PeJP	NA	NA
+PJ057499	LEEMRW 	C38H58N10O11S	862.4008	NA	PeJP	NA	NA
+PJ057500	PVEFWW 	C46H54N8O9	862.4014	NA	PeJP	NA	NA
+PJ057501	GCRRWW 	C39H54N14O7S	862.4021	NA	PeJP	NA	NA
+PJ057502	TTTTTTTH 	C34H58N10O16	862.4032	NA	PeJP	NA	NA
+PJ057503	STLEEER 	C34H58N10O16	862.4033	NA	PeJP	NA	NA
+PJ057504	SPLEMMR 	C35H62N10O11S2	862.4041	NA	PeJP	NA	NA
+PJ057505	GGGGGALLMM 	C35H62N10O11S2	862.4042	NA	PeJP	NA	NA
+PJ057506	GSSDRRW 	C35H54N14O12	862.4046	NA	PeJP	NA	NA
+PJ057507	VLEMWW 	C43H58N8O9S	862.4048	NA	PeJP	NA	NA
+PJ057508	SSLLEEW 	C39H58N8O14	862.4073	NA	PeJP	NA	NA
+PJ057509	GSQEMRR 	C32H58N14O12S	862.408	NA	PeJP	NA	NA
+PJ057510	KKMMYY 	C40H62N8O9S2	862.4081	NA	PeJP	NA	NA
+PJ057511	SPVLMMW 	C40H62N8O9S2	862.4082	NA	PeJP	NA	NA
+PJ057512	STQRWW 	C40H54N12O10	862.4086	NA	PeJP	NA	NA
+PJ057513	SPTTCLLE 	C36H62N8O14S	862.4106	NA	PeJP	NA	NA
+PJ057514	VVKEEEM 	C36H62N8O14S	862.4107	NA	PeJP	NA	NA
+PJ057515	LLEYYY 	C44H58N6O12	862.4113	NA	PeJP	NA	NA
+PJ057516	PLLQMMM 	C37H66N8O9S3	862.4115	NA	PeJP	NA	NA
+PJ057517	NKEMRW 	C37H58N12O10S	862.412	NA	PeJP	NA	NA
+PJ057518	GTKWWW 	C45H54N10O8	862.4126	NA	PeJP	NA	NA
+PJ057519	GGLHFFW 	C45H54N10O8	862.4127	NA	PeJP	NA	NA
+PJ057520	SSQKEER 	C33H58N12O15	862.4145	NA	PeJP	NA	NA
+PJ057521	SPNKMMR 	C34H62N12O10S2	862.4154	NA	PeJP	NA	NA
+PJ057522	EEHHRR 	C34H54N16O11	862.4158	NA	PeJP	NA	NA
+PJ057523	GGGDKHHR 	C34H54N16O11	862.4159	NA	PeJP	NA	NA
+PJ057524	VNKMWW 	C42H58N10O8S	862.416	NA	PeJP	NA	NA
+PJ057525	GSKKEEW 	C38H58N10O13	862.4185	NA	PeJP	NA	NA
+PJ057526	GSCERRR 	C31H58N16O11S	862.4192	NA	PeJP	NA	NA
+PJ057527	APCKKMW 	C39H62N10O8S2	862.4194	NA	PeJP	NA	NA
+PJ057528	VEHHRW 	C39H54N14O9	862.4199	NA	PeJP	NA	NA
+PJ057529	SVLEEMR 	C35H62N10O13S	862.4219	NA	PeJP	NA	NA
+PJ057530	GPVLEYW 	C43H58N8O11	862.4225	NA	PeJP	NA	NA
+PJ057531	GGPPLEFF 	C43H58N8O11	862.4226	NA	PeJP	NA	NA
+PJ057532	PVVMMMR 	C36H66N10O8S3	862.4228	NA	PeJP	NA	NA
+PJ057533	SQMRRW 	C36H58N14O9S	862.4232	NA	PeJP	NA	NA
+PJ057534	VVHHWW 	C44H54N12O7	862.4239	NA	PeJP	NA	NA
+PJ057535	SSTQERR 	C32H58N14O14	862.4257	NA	PeJP	NA	NA
+MJ096437	Vioprolide A 	C40H62N8O11S	862.425875	NA	MeJP	NA	NA
+MJ096438	Vioprolide B 	C40H62N8O11S	862.425875	NA	MeJP	NA	NA
+PJ057536	ATLLEMW 	C40H62N8O11S	862.4259	NA	PeJP	NA	NA
+PJ057537	AAQMMRR 	C33H62N14O9S2	862.4266	NA	PeJP	NA	NA
+PJ057538	GSNHHRR 	C33H54N18O10	862.4271	NA	PeJP	NA	NA
+PJ057539	GKMRWW 	C41H58N12O7S	862.4273	NA	PeJP	NA	NA
+PJ057540	GTTTLLEE 	C36H62N8O16	862.4284	NA	PeJP	NA	NA
+PJ057541	VLLQEMM 	C37H66N8O11S2	862.4293	NA	PeJP	NA	NA
+PJ057542	ASSKERW 	C37H58N12O12	862.4297	NA	PeJP	NA	NA
+PJ057543	GSTKERW 	C37H58N12O12	862.4298	NA	PeJP	NA	NA
+PJ057544	APKHHHH 	C38H54N16O8	862.4311	NA	PeJP	NA	NA
+PJ057545	GDKKEMR 	C34H62N12O12S	862.4331	NA	PeJP	NA	NA
+PJ057546	SKKEWW 	C42H58N10O10	862.4338	NA	PeJP	NA	NA
+PJ057547	SCRRRW 	C35H58N16O8S	862.4345	NA	PeJP	NA	NA
+MJ096439	Bryostatin 1; O-De-Ac 	C45H66O16	862.435086	NA	MeJP	NA	NA
+PJ057548	SSSDRRR 	C31H58N16O13	862.437	NA	PeJP	NA	NA
+PJ057549	AAKKEMW 	C39H62N10O10S	862.4371	NA	PeJP	NA	NA
+PJ057550	GVDKKMW 	C39H62N10O10S	862.4372	NA	PeJP	NA	NA
+PJ057551	PVLYWW 	C47H58N8O8	862.4378	NA	PeJP	NA	NA
+PJ057552	TTQKKEE 	C35H62N10O15	862.4396	NA	PeJP	NA	NA
+PJ057553	SDKKKEE 	C35H62N10O15	862.4397	NA	PeJP	NA	NA
+PJ057554	ALLEMMR 	C36H66N10O10S2	862.4405	NA	PeJP	NA	NA
+PJ057555	GSTTRRW 	C36H58N14O11	862.441	NA	PeJP	NA	NA
+PJ057556	GPLLMFW 	C44H62N8O8S	862.4412	NA	PeJP	NA	NA
+MJ096440	N-Deacyltunicamycin; N4''-(3-Hydroxy-14-methylpentadecanoyl) 	C39H66N4O17	862.442296	NA	MeJP	NA	NA
+PJ057557	TTTLLEW 	C40H62N8O13	862.4437	NA	PeJP	NA	NA
+PJ057558	ATTQMRR 	C33H62N14O11S	862.4443	NA	PeJP	NA	NA
+PJ057559	GSKEMRR 	C33H62N14O11S	862.4444	NA	PeJP	NA	NA
+PJ057560	GLLLMMW 	C41H66N8O8S2	862.4445	NA	PeJP	NA	NA
+PJ057561	STKRWW 	C41H58N12O9	862.445	NA	PeJP	NA	NA
+PJ057562	TLLKEEM 	C37H66N8O13S	862.447	NA	PeJP	NA	NA
+PJ057563	PLLKMMM 	C38H70N8O8S3	862.4479	NA	PeJP	NA	NA
+PJ057564	DKKMRW 	C38H62N12O9S	862.4484	NA	PeJP	NA	NA
+PJ057565	VKHFFW 	C46H58N10O7	862.449	NA	PeJP	NA	NA
+MJ096441	Pregn-5-ene-3,11,12,14,20-pentol, 12,20-Dibenzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-O-?-D-oleandropyranoside] 	C49H66O13	862.450342	NA	MeJP	NA	NA
+PJ057566	SSKKEER 	C34H62N12O14	862.4509	NA	PeJP	NA	NA
+PJ057567	AVQKMMR 	C35H66N12O9S2	862.4517	NA	PeJP	NA	NA
+PJ057568	GLQKMMR 	C35H66N12O9S2	862.4518	NA	PeJP	NA	NA
+PJ057569	NDFRRR 	C35H58N16O10	862.4522	NA	PeJP	NA	NA
+PJ057570	CLKKWW 	C43H62N10O7S	862.4524	NA	PeJP	NA	NA
+PJ057571	ATTKKEW 	C39H62N10O12	862.4549	NA	PeJP	NA	NA
+PJ057572	GSTMRRR 	C32H62N16O10S	862.4556	NA	PeJP	NA	NA
+PJ057573	AQFRRW 	C40H58N14O8	862.4562	NA	PeJP	NA	NA
+MJ096442	Furostane-2,3,5,6,22,26-hexol, 22-Me ether, 3-Ac, 2,26-di-O-?-D-glucopyranoside 	C42H70O18	862.456215	NA	MeJP	NA	NA
+PJ057574	GAAFRRW 	C40H58N14O8	862.4563	NA	PeJP	NA	NA
+PJ057575	TTLLEMR 	C36H66N10O12S	862.4583	NA	PeJP	NA	NA
+MJ096443	Neoviridogrisein II 	C44H62N8O10	862.45889	NA	MeJP	NA	NA
+PJ057576	APTLLYW 	C44H62N8O10	862.4589	NA	PeJP	NA	NA
+PJ057577	SKMRRW 	C37H62N14O8S	862.4596	NA	PeJP	NA	NA
+PJ057578	SSTKERR 	C33H62N14O13	862.4621	NA	PeJP	NA	NA
+PJ057579	STLLLMW 	C41H66N8O10S	862.4623	NA	PeJP	NA	NA
+PJ057580	AAKMMRR 	C34H66N14O8S2	862.463	NA	PeJP	NA	NA
+PJ057581	SSTTLLLE 	C37H66N8O15	862.4648	NA	PeJP	NA	NA
+PJ057582	VLLKEMM 	C38H70N8O10S2	862.4657	NA	PeJP	NA	NA
+PJ057583	SSSLKRW 	C38H62N12O11	862.4661	NA	PeJP	NA	NA
+PJ057584	GGGGALLRY 	C38H62N12O11	862.4662	NA	PeJP	NA	NA
+PJ057585	ATKKEMR 	C35H66N12O11S	862.4695	NA	PeJP	NA	NA
+PJ057586	AAPKKYW 	C43H62N10O9	862.4702	NA	PeJP	NA	NA
+MJ096444	Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 3',3''-di-O-de-Me 	C46H70O15	862.471471	NA	MeJP	NA	NA
+MJ096445	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-3-O-acetyl-4-O-(2S-hydroxy-3S-methylpentanoyl)-?-L-arabinopyranoside] 	C46H70O15	862.471471	NA	MeJP	NA	NA
+PJ057587	SSTTRRR 	C32H62N16O12	862.4733	NA	PeJP	NA	NA
+PJ057588	GTLKKMW 	C40H66N10O9S	862.4735	NA	PeJP	NA	NA
+PJ057589	VLLFWW 	C48H62N8O7	862.4742	NA	PeJP	NA	NA
+PJ057590	TTKKKEE 	C36H66N10O14	862.476	NA	PeJP	NA	NA
+PJ057591	SLLLMMR 	C37H70N10O9S2	862.4769	NA	PeJP	NA	NA
+PJ057592	GSPKRRY 	C37H62N14O10	862.4774	NA	PeJP	NA	NA
+PJ057593	PTLLKEY 	C41H66N8O12	862.48	NA	PeJP	NA	NA
+PJ057594	GGVLLLEY 	C41H66N8O12	862.4801	NA	PeJP	NA	NA
+PJ057595	ATTKMRR 	C34H66N14O10S	862.4807	NA	PeJP	NA	NA
+PJ057596	GGSCKKKR 	C34H66N14O10S	862.4808	NA	PeJP	NA	NA
+PJ057597	VQKFRW 	C42H62N12O8	862.4814	NA	PeJP	NA	NA
+PJ057598	SSSLLLLM 	C38H70N8O12S	862.4834	NA	PeJP	NA	NA
+PJ057599	GPKKMFR 	C39H66N12O8S	862.4848	NA	PeJP	NA	NA
+PJ057600	TTTKKER 	C35H66N12O13	862.4873	NA	PeJP	NA	NA
+PJ057601	GLKKMMR 	C36H70N12O8S2	862.4881	NA	PeJP	NA	NA
+PJ057602	VNRRRY 	C36H62N16O9	862.4886	NA	PeJP	NA	NA
+PJ057603	STTLKKW 	C40H66N10O11	862.4913	NA	PeJP	NA	NA
+PJ057604	AKFRRW 	C41H62N14O7	862.4926	NA	PeJP	NA	NA
+PJ057605	SLKKKEM 	C37H70N10O11S	862.4947	NA	PeJP	NA	NA
+PJ057606	GVLLLYW 	C45H66N8O9	862.4953	NA	PeJP	NA	NA
+PJ057607	TTTTKRR 	C34H66N14O12	862.4985	NA	PeJP	NA	NA
+PJ057608	PVLLKMY 	C42H70N8O9S	862.4987	NA	PeJP	NA	NA
+PJ057609	GRRRRY 	C35H62N18O8	862.4998	NA	PeJP	NA	NA
+PJ057610	AAPHRRR 	C35H62N18O8	862.4999	NA	PeJP	NA	NA
+PJ057611	TTTTTLLL 	C38H70N8O14	862.5012	NA	PeJP	NA	NA
+PJ057612	APTKKRY 	C39H66N12O10	862.5025	NA	PeJP	NA	NA
+PJ057613	STLKKMR 	C36H70N12O10S	862.5059	NA	PeJP	NA	NA
+PJ057614	LLLRYW 	C44H66N10O8	862.5065	NA	PeJP	NA	NA
+PJ057615	AALKKFW 	C44H66N10O8	862.5066	NA	PeJP	NA	NA
+PJ057616	ALLLMFR 	C41H70N10O8S	862.5099	NA	PeJP	NA	NA
+PJ057617	SSSTLLKK 	C37H70N10O13	862.5124	NA	PeJP	NA	NA
+PJ057618	VVKKKMM 	C38H74N10O8S2	862.5133	NA	PeJP	NA	NA
+PJ057619	LQKRRY 	C38H66N14O9	862.5138	NA	PeJP	NA	NA
+MJ096446	Isopsychotridine A 	C55H62N10	862.515892	NA	MeJP	NA	NA
+MJ096447	Isopsychotridine E 	C55H62N10	862.515892	NA	MeJP	NA	NA
+MJ096448	Psychotridine 	C55H62N10	862.515892	NA	MeJP	NA	NA
+MJ096449	Quadrigemine I; Homologue (n = 4) 	C55H62N10	862.515892	NA	MeJP	NA	NA
+C09233	Psychotridine	C55H62N10	862.5159	NA	KEGG	NA	NA
+PJ057620	VVLLKEY 	C42H70N8O11	862.5164	NA	PeJP	NA	NA
+PJ057621	PPPVVLLE 	C42H70N8O11	862.5165	NA	PeJP	NA	NA
+PJ057622	VKKFRW 	C43H66N12O7	862.5178	NA	PeJP	NA	NA
+PJ057623	GSSTKKKK 	C36H70N12O12	862.5237	NA	PeJP	NA	NA
+PJ057624	TKFRRR 	C37H66N16O8	862.525	NA	PeJP	NA	NA
+PJ057625	SVLLLRY 	C41H70N10O10	862.5277	NA	PeJP	NA	NA
+PJ057626	PVLLKFF 	C46H70N8O8	862.5317	NA	PeJP	NA	NA
+PJ057627	VLLLKMF 	C43H74N8O8S	862.5351	NA	PeJP	NA	NA
+PJ057628	GVLKKRY 	C40H70N12O9	862.5389	NA	PeJP	NA	NA
+PJ057629	TCKKKKK 	C37H74N12O9S	862.5423	NA	PeJP	NA	NA
+PJ057630	LKKRRY 	C39H70N14O8	862.5501	NA	PeJP	NA	NA
+PJ057631	PPPLKRR 	C39H70N14O8	862.5502	NA	PeJP	NA	NA
+PJ057632	TLLLLKY 	C43H74N8O10	862.5528	NA	PeJP	NA	NA
+HMDB09786	PI(16:0/20:2(11Z,14Z))	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09809	PI(18:0/18:2(9Z,12Z))	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09824	PI(18:1(11Z)/18:1(11Z))	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09825	PI(18:1(11Z)/18:1(9Z))	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09836	PI(18:1(9Z)/18:1(11Z))	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09837	PI(18:1(9Z)/18:1(9Z))	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09847	PI(18:2(9Z,12Z)/18:0)	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+HMDB09875	PI(20:2(11Z,14Z)/16:0)	C45H83O13P	862.557129	NA	HMDB2010	NA	NA
+PJ057633	ALLKKKY 	C42H74N10O9	862.5641	NA	PeJP	NA	NA
+PJ057634	VLLLLHR 	C41H74N12O8	862.5753	NA	PeJP	NA	NA
+PJ057635	PPVVLLLL 	C44H78N8O9	862.5892	NA	PeJP	NA	NA
+HMDB01072	Coenzyme Q10	C59H90O4	862.683899	NA	HMDB2010	NA	NA
+HMDB02139	Ubisemiquinone	C59H90O4	862.683899	NA	HMDB2010	NA	NA
+HMDB01072	Coenzyme Q10	C59H90O4	862.6839	http://www.hmdb.ca/metabolites/HMDB01072	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01072	Coenzyme Q10	C59H90O4	862.6839	http://www.hmdb.ca/metabolites/HMDB01072	HMDB	NA	NA
+HMDB02139	Ubisemiquinone	C59H90O4	862.6839	http://www.hmdb.ca/metabolites/HMDB02139	HMDB	NA	NA
+C11378	Ubiquinone-10	C59H90O4	862.6839	NA	KEGG	NA	NA
+HMDB01072	Coenzyme Q10	C59H90O4	862.6839	http://www.hmdb.ca/metabolites/HMDB01072	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01072	Coenzyme Q10	C59H90O4	862.6839	HMDB01072	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02139	Ubisemiquinone	C59H90O4	862.6839	HMDB02139	PFEM_hmdb_metabocards_official	NA	NA
+MJ096450	Coenzyme Q; Coenzyme Q10 	C59H90O4	862.683911	NA	MeJP	NA	NA
+MJ096451	Ubichromenol 	C59H90O4	862.683911	NA	MeJP	NA	NA
+MetaCyc04205	ubiquinone-10 [coenzyme-Q10;ubiquinone-10;coenzyme-Q10;ubiquinone(10);]	C59H90O4	862.683911	1339-63-5	metacyc	NA	NA
+MJ096452	20(29)-Lupen-3-ol, 3-Acetoxyhexacosanoyl 	C58H102O4	862.777811	NA	MeJP	NA	NA
+MJ096453	Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-dioctadecanoate 2-hexadecanoate 	C55H106O6	862.798941	NA	MeJP	NA	NA
+HMDB05358	TG(16:0/16:0/20:0)[iso3]	C55H106O6	862.79895	http://www.hmdb.ca/metabolites/HMDB05358	HMDB	NA	NA
+HMDB05365	TG(16:0/18:0/18:0)[iso3]	C55H106O6	862.79895	http://www.hmdb.ca/metabolites/HMDB05365	HMDB	NA	NA
+HMDB05358	TG(16:0/16:0/20:0)[iso3]	C55H106O6	862.79895	HMDB05358	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05365	TG(16:0/18:0/18:0)[iso3]	C55H106O6	862.79895	HMDB05365	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05358	TG(16:0/16:0/20:0)[iso3]	C55H106O6	862.79895	NA	HMDB2010	NA	NA
+HMDB05365	TG(16:0/18:0/18:0)[iso3]	C55H106O6	862.79895	NA	HMDB2010	NA	NA
+C05271	trans-Hex-2-enoyl-CoA	C27H44N7O17P3S	863.1727	NA	KEGG	NA	NA
+HMDB03944	trans-2-Hexenoyl-CoA	C27H44N7O17P3S	863.172729	NA	HMDB2010	NA	NA
+HMDB06522	trans-3-Hexenoyl-CoA	C27H44N7O17P3S	863.172729	NA	HMDB2010	NA	NA
+HMDB03944	trans-2-Hexenoyl-CoA	C27H44N7O17P3S	863.17273	http://www.hmdb.ca/metabolites/HMDB03944	HMDB	NA	NA
+HMDB06522	trans-3-Hexenoyl-CoA	C27H44N7O17P3S	863.17273	http://www.hmdb.ca/metabolites/HMDB06522	HMDB	NA	NA
+HMDB03944	trans-2-Hexenoyl-CoA	C27H44N7O17P3S	863.17273	HMDB03944	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06522	trans-3-Hexenoyl-CoA	C27H44N7O17P3S	863.17273	HMDB06522	PFEM_hmdb_metabocards_official	NA	NA
+PJ057636	SCCCCCNE 	C27H45N9O13S5	863.1741	NA	PeJP	NA	NA
+PJ057637	GSCCCCCW 	C31H45N9O10S5	863.1893	NA	PeJP	NA	NA
+PJ057638	GSSSCCCCD 	C27H45N9O15S4	863.1918	NA	PeJP	NA	NA
+PJ057639	GCCCCNMM 	C28H49N9O10S6	863.1927	NA	PeJP	NA	NA
+PJ057640	ACCCCCCR 	C27H49N11O9S6	863.2039	NA	PeJP	NA	NA
+PJ057641	GCCCCNDF 	C31H45N9O12S4	863.2071	NA	PeJP	NA	NA
+PJ057642	SSCCCCQM 	C28H49N9O12S5	863.2105	NA	PeJP	NA	NA
+MJ096454	Isoquercitrin; 2''-O-?-D-Xylopyranosyl, 3'-O-[3-pyridinecarbonyl-(?6)-?-D-glucopyranoside] 	C38H41NO22	863.212022	NA	MeJP	NA	NA
+PJ057643	CCDDDMY 	C32H45N7O15S3	863.2136	NA	PeJP	NA	NA
+PJ057644	CCDMMMM 	C30H53N7O10S6	863.2178	NA	PeJP	NA	NA
+PJ057645	SSCCCCCR 	C27H49N11O11S5	863.2217	NA	PeJP	NA	NA
+FL7AACGA0008	Cyanidin 3-[6-(6-p-hydroxybenzoylglucosyl)-2-xylosylgalactoside]	C39H43O22	863.22459	-	knapsack	NA	NA
+PJ057646	GSCCCNDY 	C31H45N9O14S3	863.2248	NA	PeJP	NA	NA
+PJ057647	GGGSCCCDY 	C31H45N9O14S3	863.2249	NA	PeJP	NA	NA
+PJ057648	GSSSSCCCM 	C28H49N9O14S4	863.2282	NA	PeJP	NA	NA
+PJ057649	ACCCCCKM 	C29H53N9O9S6	863.2291	NA	PeJP	NA	NA
+PJ057650	CCDDMMF 	C33H49N7O12S4	863.2322	NA	PeJP	NA	NA
+PJ057651	CCCMMHH 	C31H49N11O8S5	863.237	NA	PeJP	NA	NA
+PJ057652	CDDDEMH 	C31H45N9O16S2	863.2426	NA	PeJP	NA	NA
+PJ057653	CCCNQMY 	C32H49N9O11S4	863.2435	NA	PeJP	NA	NA
+PJ057654	SSSSSTCCC 	C28H49N9O16S3	863.246	NA	PeJP	NA	NA
+PJ057655	CCDDDFF 	C36H45N7O14S2	863.2466	NA	PeJP	NA	NA
+PJ057656	SSCCCCKM 	C29H53N9O11S5	863.2468	NA	PeJP	NA	NA
+PJ057657	GCCCNNNH 	C29H45N13O12S3	863.2473	NA	PeJP	NA	NA
+PJ057658	SCDDMMY 	C33H49N7O14S3	863.25	NA	PeJP	NA	NA
+PJ057659	CCCDHHF 	C34H45N11O10S3	863.2513	NA	PeJP	NA	NA
+PJ057660	GSCCNDEH 	C30H45N11O15S2	863.2538	NA	PeJP	NA	NA
+PJ057661	GGGSCCDEH 	C30H45N11O15S2	863.2539	NA	PeJP	NA	NA
+PJ057662	SCMMMMM 	C31H57N7O9S6	863.2542	NA	PeJP	NA	NA
+PJ057663	CCCCNRY 	C31H49N11O10S4	863.2547	NA	PeJP	NA	NA
+PJ057664	GPCNDDDE 	C31H45N9O18S	863.2604	NA	PeJP	NA	NA
+PJ057665	GSSCCNMY 	C32H49N9O13S3	863.2612	NA	PeJP	NA	NA
+PJ057666	GCDDEYY 	C36H45N7O16S	863.2644	NA	PeJP	NA	NA
+PJ057667	PCCCEFY 	C37H49N7O11S3	863.2653	NA	PeJP	NA	NA
+PJ057668	GCEMMMY 	C34H53N7O11S4	863.2686	NA	PeJP	NA	NA
+PJ057669	SCCNDHW 	C34H45N11O12S2	863.2691	NA	PeJP	NA	NA
+PJ057670	SSSCNDDH 	C30H45N11O17S	863.2716	NA	PeJP	NA	NA
+PJ057671	CNNDMMH 	C31H49N11O12S3	863.2725	NA	PeJP	NA	NA
+PJ057672	PCNDDDW 	C35H45N9O15S	863.2756	NA	PeJP	NA	NA
+PJ057673	CCCNQFF 	C36H49N9O10S3	863.2765	NA	PeJP	NA	NA
+PJ057674	NNDDEEE 	C31H45N9O20	863.2781	NA	PeJP	NA	NA
+PJ057675	SSSSCCQY 	C32H49N9O15S2	863.279	NA	PeJP	NA	NA
+PJ057676	CDDYYW 	C40H45N7O13S	863.2796	NA	PeJP	NA	NA
+PJ057677	CCCNKMY 	C33H53N9O10S4	863.2798	NA	PeJP	NA	NA
+PJ057678	GGCCCKMY 	C33H53N9O10S4	863.2799	NA	PeJP	NA	NA
+PJ057679	SSDDDYY 	C36H45N7O18	863.2821	NA	PeJP	NA	NA
+PJ057680	GCNNNNND 	C29H45N13O16S	863.2828	NA	PeJP	NA	NA
+PJ057681	GGGGGGGCNND 	C29H45N13O16S	863.2829	NA	PeJP	NA	NA
+PJ057682	SPCCEYY 	C37H49N7O13S2	863.283	NA	PeJP	NA	NA
+PJ057683	CCCNEHR 	C30H49N13O11S3	863.2837	NA	PeJP	NA	NA
+PJ057684	CMMMYW 	C38H53N7O8S4	863.2839	NA	PeJP	NA	NA
+PJ057685	PDDEEEM 	C33H49N7O18S	863.2855	NA	PeJP	NA	NA
+PJ057686	SSDMMMY 	C34H53N7O13S3	863.2864	NA	PeJP	NA	NA
+PJ057687	CNNDDHF 	C34H45N11O14S	863.2869	NA	PeJP	NA	NA
+PJ057688	VCCMMMF 	C35H57N7O8S5	863.2872	NA	PeJP	NA	NA
+PJ057689	ACMMMMF 	C35H57N7O8S5	863.2873	NA	PeJP	NA	NA
+PJ057690	GCCQMHW 	C35H49N11O9S3	863.2877	NA	PeJP	NA	NA
+PJ057691	NDDDDDR 	C30H45N11O19	863.2894	NA	PeJP	NA	NA
+PJ057692	GSSCNEMH 	C31H49N11O14S2	863.2902	NA	PeJP	NA	NA
+PJ057693	GGGGGGGPCDM 	C31H49N11O14S2	863.2903	NA	PeJP	NA	NA
+MJ096455	Antibiotic A 38533; Antibiotic A 38533B 	C39H45N9O12S	863.290838	NA	MeJP	NA	NA
+PJ057694	APCCCCKH 	C32H53N11O9S4	863.2911	NA	PeJP	NA	NA
+PJ057695	CCNNHHH 	C32H45N15O10S2	863.2916	NA	PeJP	NA	NA
+PJ057696	GNDDEEW 	C35H45N9O17	863.2934	NA	PeJP	NA	NA
+PJ057697	GCNNMYY 	C36H49N9O12S2	863.2942	NA	PeJP	NA	NA
+PJ057698	GSPPCCDW 	C36H49N9O12S2	863.2943	NA	PeJP	NA	NA
+PJ057699	GSSSSSSCY 	C32H49N9O17S	863.2967	NA	PeJP	NA	NA
+PJ057700	GSPNDDEM 	C32H49N9O17S	863.2968	NA	PeJP	NA	NA
+PJ057701	GSTCCCKY 	C33H53N9O12S3	863.2976	NA	PeJP	NA	NA
+PJ057702	SCDEHHH 	C33H45N13O13S	863.2981	NA	PeJP	NA	NA
+PJ057703	CDMFYW 	C41H49N7O10S2	863.2983	NA	PeJP	NA	NA
+PJ057704	GCCCHRW 	C34H49N13O8S3	863.299	NA	PeJP	NA	NA
+PJ057705	GSDEMYY 	C37H49N7O15S	863.3008	NA	PeJP	NA	NA
+PJ057706	GSSCCDHR 	C30H49N13O13S2	863.3015	NA	PeJP	NA	NA
+PJ057707	GPCMMYY 	C38H53N7O10S3	863.3016	NA	PeJP	NA	NA
+PJ057708	AEEEEEE 	C33H49N7O20	863.3033	NA	PeJP	NA	NA
+PJ057709	SNNNDDW 	C34H45N11O16	863.3046	NA	PeJP	NA	NA
+PJ057710	GTMMMMY 	C35H57N7O10S4	863.305	NA	PeJP	NA	NA
+PJ057711	SSCNMHW 	C35H49N11O11S2	863.3055	NA	PeJP	NA	NA
+PJ057712	GSPCDDDR 	C31H49N11O16S	863.308	NA	PeJP	NA	NA
+PJ057713	NDDEWW 	C39H45N9O14	863.3086	NA	PeJP	NA	NA
+PJ057714	SNNMMMH 	C32H53N11O11S3	863.3088	NA	PeJP	NA	NA
+PJ057715	GPPCCCER 	C32H53N11O11S3	863.3089	NA	PeJP	NA	NA
+PJ057716	SPNDDMW 	C36H49N9O14S	863.312	NA	PeJP	NA	NA
+PJ057717	EMMMHW 	C37H53N9O9S3	863.3129	NA	PeJP	NA	NA
+PJ057718	SNQEEEE 	C32H49N9O19	863.3145	NA	PeJP	NA	NA
+PJ057719	SSSSCCKY 	C33H53N9O14S2	863.3154	NA	PeJP	NA	NA
+PJ057720	SDMYYW 	C41H49N7O12S	863.316	NA	PeJP	NA	NA
+PJ057721	SPMMMMH 	C34H57N9O9S4	863.3162	NA	PeJP	NA	NA
+PJ057722	GDMMHHH 	C34H49N13O10S2	863.3167	NA	PeJP	NA	NA
+PJ057723	CMMFFW 	C42H53N7O7S3	863.3169	NA	PeJP	NA	NA
+PJ057724	SSSEEYY 	C37H49N7O17	863.3185	NA	PeJP	NA	NA
+PJ057725	CNNNDER 	C30H49N13O15S	863.3192	NA	PeJP	NA	NA
+PJ057726	GGGGGGGGGGGSM 	C30H49N13O15S	863.3193	NA	PeJP	NA	NA
+PJ057727	QEMMYY 	C38H53N7O12S2	863.3194	NA	PeJP	NA	NA
+PJ057728	SCCQMHR 	C31H53N13O10S3	863.3201	NA	PeJP	NA	NA
+PJ057729	ACCHHFF 	C39H49N11O8S2	863.3207	NA	PeJP	NA	NA
+PJ057730	PTEEEEM 	C34H53N7O17S	863.3219	NA	PeJP	NA	NA
+PJ057731	STTMMMY 	C35H57N7O12S3	863.3228	NA	PeJP	NA	NA
+PJ057732	GSSSTCHW 	C35H49N11O13S	863.3232	NA	PeJP	NA	NA
+PJ057733	GGGGGNEMW 	C35H49N11O13S	863.3233	NA	PeJP	NA	NA
+PJ057734	GDDWWW 	C43H45N9O11	863.3239	NA	PeJP	NA	NA
+PJ057735	PPCCCRW 	C36H53N11O8S3	863.3241	NA	PeJP	NA	NA
+PJ057736	SNDDEER 	C31H49N11O18	863.3257	NA	PeJP	NA	NA
+PJ057737	GGSDDEER 	C31H49N11O18	863.3258	NA	PeJP	NA	NA
+PJ057738	PCNDEMR 	C32H53N11O13S2	863.3266	NA	PeJP	NA	NA
+PJ057739	NNNNDHH 	C32H45N15O14	863.3271	NA	PeJP	NA	NA
+MJ096456	Antibiotic M 331 	C40H49N9O11S	863.327224	NA	MeJP	NA	NA
+PJ057740	GSPCEWW 	C40H49N9O11S	863.3273	NA	PeJP	NA	NA
+PJ057741	GSSSSNYY 	C36H49N9O16	863.3297	NA	PeJP	NA	NA
+PJ057742	GSQEEEW 	C36H49N9O16	863.3298	NA	PeJP	NA	NA
+PJ057743	GPNEMMW 	C37H53N9O11S2	863.3306	NA	PeJP	NA	NA
+PJ057744	GDDHHHF 	C37H45N13O12	863.3311	NA	PeJP	NA	NA
+PJ057745	CDFFFW 	C45H49N7O9S	863.3313	NA	PeJP	NA	NA
+PJ057746	AQQEEEM 	C33H53N9O16S	863.3331	NA	PeJP	NA	NA
+PJ057747	GGGGVEEEM 	C33H53N9O16S	863.3332	NA	PeJP	NA	NA
+PJ057748	GSPDYYY 	C41H49N7O14	863.3338	NA	PeJP	NA	NA
+PJ057749	SVEMMMH 	C34H57N9O11S3	863.334	NA	PeJP	NA	NA
+PJ057750	GCNNDRW 	C34H49N13O12S	863.3345	NA	PeJP	NA	NA
+PJ057751	AMMYYW 	C42H53N7O9S2	863.3346	NA	PeJP	NA	NA
+PJ057752	GPCMFFY 	C42H53N7O9S2	863.3347	NA	PeJP	NA	NA
+PJ057753	GCHHHHH 	C35H45N17O8S	863.3358	NA	PeJP	NA	NA
+PJ057754	GSSNNDDR 	C30H49N13O17	863.337	NA	PeJP	NA	NA
+PJ057755	GTTEMYY 	C38H53N7O14S	863.3371	NA	PeJP	NA	NA
+PJ057756	PPDEEMF 	C38H53N7O14S	863.3372	NA	PeJP	NA	NA
+PJ057757	GSSSCMHR 	C31H53N13O12S2	863.3378	NA	PeJP	NA	NA
+PJ057758	PCCDDRR 	C31H53N13O12S2	863.3379	NA	PeJP	NA	NA
+PJ057759	AAMMMFY 	C39H57N7O9S3	863.338	NA	PeJP	NA	NA
+PJ057760	NNNMWW 	C39H49N11O10S	863.3385	NA	PeJP	NA	NA
+PJ057761	SLEEEEE 	C34H53N7O19	863.3397	NA	PeJP	NA	NA
+PJ057762	PVEEEMM 	C35H57N7O14S2	863.3405	NA	PeJP	NA	NA
+PJ057763	GSDDERW 	C35H49N11O15	863.341	NA	PeJP	NA	NA
+PJ057764	GPCDMRW 	C36H53N11O10S2	863.3419	NA	PeJP	NA	NA
+PJ057765	SPCWWW 	C44H49N9O8S	863.3425	NA	PeJP	NA	NA
+PJ057766	SNQQQEM 	C32H53N11O15S	863.3443	NA	PeJP	NA	NA
+PJ057767	GNEEEMR 	C32H53N11O15S	863.3444	NA	PeJP	NA	NA
+PJ057768	SQEEWW 	C40H49N9O13	863.345	NA	PeJP	NA	NA
+PJ057769	GPPTCCMR 	C33H57N11O10S3	863.3452	NA	PeJP	NA	NA
+PJ057770	PNMMWW 	C41H53N9O8S2	863.3459	NA	PeJP	NA	NA
+PJ057771	AAQEEMW 	C37H53N9O13S	863.3484	NA	PeJP	NA	NA
+PJ057772	GEFYYW 	C45H49N7O11	863.349	NA	PeJP	NA	NA
+PJ057773	PPCCKMW 	C38H57N9O8S3	863.3493	NA	PeJP	NA	NA
+PJ057774	GPCQHHW 	C38H49N13O9S	863.3497	NA	PeJP	NA	NA
+PJ057775	SNKEEEE 	C33H53N9O18	863.3509	NA	PeJP	NA	NA
+PJ057776	PNDKEMM 	C34H57N9O13S2	863.3518	NA	PeJP	NA	NA
+PJ057777	NNNNNQF 	C34H49N13O14	863.3522	NA	PeJP	NA	NA
+PJ057778	GGGGGGGGNQF 	C34H49N13O14	863.3523	NA	PeJP	NA	NA
+PJ057779	TTMYYW 	C42H53N7O11S	863.3524	NA	PeJP	NA	NA
+PJ057780	ALMMMMH 	C35H61N9O8S4	863.3526	NA	PeJP	NA	NA
+PJ057781	GCNMHFR 	C35H53N13O9S2	863.3531	NA	PeJP	NA	NA
+PJ057782	STTTEYY 	C38H53N7O16	863.3549	NA	PeJP	NA	NA
+PJ057783	GDDDMRR 	C31H53N13O14S	863.3556	NA	PeJP	NA	NA
+PJ057784	KEMMYY 	C39H57N7O11S2	863.3558	NA	PeJP	NA	NA
+PJ057785	GSSNQWW 	C39H49N11O12	863.3562	NA	PeJP	NA	NA
+PJ057786	SDDRWW 	C39H49N11O12	863.3563	NA	PeJP	NA	NA
+PJ057787	SCCKMHR 	C32H57N13O9S3	863.3565	NA	PeJP	NA	NA
+PJ057788	VVEEEEM 	C35H57N7O16S	863.3583	NA	PeJP	NA	NA
+PJ057789	NEEMRW 	C36H53N11O12S	863.3596	NA	PeJP	NA	NA
+PJ057790	GGGGGGGAPMF 	C36H53N11O12S	863.3597	NA	PeJP	NA	NA
+PJ057791	GTEWWW 	C44H49N9O10	863.3603	NA	PeJP	NA	NA
+PJ057792	PPCHHHH 	C37H49N15O8S	863.361	NA	PeJP	NA	NA
+PJ057793	SSQEEER 	C32H53N11O17	863.3621	NA	PeJP	NA	NA
+PJ057794	SPNEMMR 	C33H57N11O12S2	863.363	NA	PeJP	NA	NA
+PJ057795	GNDEHHR 	C33H49N15O13	863.3635	NA	PeJP	NA	NA
+PJ057796	VNEMWW 	C41H53N9O10S	863.3636	NA	PeJP	NA	NA
+PJ057797	GGVEMWW 	C41H53N9O10S	863.3637	NA	PeJP	NA	NA
+PJ057798	FYYWW 	C49H49N7O8	863.3643	NA	PeJP	NA	NA
+PJ057799	ATTQEEW 	C37H53N9O15	863.3661	NA	PeJP	NA	NA
+PJ057800	GSKEEEW 	C37H53N9O15	863.3662	NA	PeJP	NA	NA
+PJ057801	SCNNDRR 	C30H53N15O13S	863.3668	NA	PeJP	NA	NA
+PJ057802	GGGGSCDRR 	C30H53N15O13S	863.3669	NA	PeJP	NA	NA
+PJ057803	GPDKMMW 	C38H57N9O10S2	863.367	NA	PeJP	NA	NA
+PJ057804	QQEHHW 	C38H49N13O11	863.3675	NA	PeJP	NA	NA
+PJ057805	AMFFYW 	C46H53N7O8S	863.3677	NA	PeJP	NA	NA
+PJ057806	AQKEEEM 	C34H57N9O15S	863.3695	NA	PeJP	NA	NA
+PJ057807	ASPTYYY 	C42H53N7O13	863.3701	NA	PeJP	NA	NA
+PJ057808	VQEYYY 	C42H53N7O13	863.3702	NA	PeJP	NA	NA
+PJ057809	TTLMMMH 	C35H61N9O10S3	863.3704	NA	PeJP	NA	NA
+PJ057810	ASCNQRW 	C35H53N13O11S	863.3708	NA	PeJP	NA	NA
+PJ057811	CDERRW 	C35H53N13O11S	863.3709	NA	PeJP	NA	NA
+PJ057812	AAMMFFF 	C43H57N7O8S2	863.371	NA	PeJP	NA	NA
+PJ057813	NNHFFW 	C43H49N11O9	863.3715	NA	PeJP	NA	NA
+PJ057814	SSSNNNNK 	C31H53N13O16	863.3733	NA	PeJP	NA	NA
+PJ057815	SSDDERR 	C31H53N13O16	863.3734	NA	PeJP	NA	NA
+PJ057816	SSTLMYY 	C39H57N7O13S	863.3735	NA	PeJP	NA	NA
+PJ057817	SPCDMRR 	C32H57N13O11S2	863.3742	NA	PeJP	NA	NA
+PJ057818	GGGGGAAMMR 	C32H57N13O11S2	863.3743	NA	PeJP	NA	NA
+PJ057819	GEMRWW 	C40H53N11O9S	863.3749	NA	PeJP	NA	NA
+PJ057820	TWWWW 	C48H49N9O7	863.3755	NA	PeJP	NA	NA
+PJ057821	GSTEERW 	C36H53N11O14	863.3774	NA	PeJP	NA	NA
+PJ057822	APTCMRW 	C37H57N11O9S2	863.3782	NA	PeJP	NA	NA
+PJ057823	GSPMMRW 	C37H57N11O9S2	863.3783	NA	PeJP	NA	NA
+PJ057824	NDHHRW 	C37H49N15O10	863.3787	NA	PeJP	NA	NA
+PJ057825	GVMWWW 	C45H53N9O7S	863.3789	NA	PeJP	NA	NA
+PJ057826	SCLQEER 	C33H57N11O14S	863.3807	NA	PeJP	NA	NA
+PJ057827	GDKEEMR 	C33H57N11O14S	863.3808	NA	PeJP	NA	NA
+PJ057828	SKEEWW 	C41H53N9O12	863.3814	NA	PeJP	NA	NA
+PJ057829	APQMMMR 	C34H61N11O9S3	863.3816	NA	PeJP	NA	NA
+PJ057830	SPCQHHR 	C34H53N15O10S	863.3821	NA	PeJP	NA	NA
+PJ057831	LMMHFW 	C42H57N9O7S2	863.3823	NA	PeJP	NA	NA
+PJ057832	AQHHWW 	C42H49N13O8	863.3827	NA	PeJP	NA	NA
+PJ057833	GAAHHWW 	C42H49N13O8	863.3828	NA	PeJP	NA	NA
+PJ057834	AAKEEMW 	C38H57N9O12S	863.3848	NA	PeJP	NA	NA
+PJ057835	GLYYYW 	C46H53N7O10	863.3854	NA	PeJP	NA	NA
+PJ057836	GCNQMRR 	C31H57N15O10S2	863.3855	NA	PeJP	NA	NA
+PJ057837	GPCKHHW 	C39H53N13O8S	863.3861	NA	PeJP	NA	NA
+PJ057838	SDKKEEE 	C34H57N9O17	863.3873	NA	PeJP	NA	NA
+PJ057839	PTQKEMM 	C35H61N9O12S2	863.3881	NA	PeJP	NA	NA
+PJ057840	GAPTKEMM 	C35H61N9O12S2	863.3882	NA	PeJP	NA	NA
+PJ057841	SSSNQRW 	C35H53N13O13	863.3886	NA	PeJP	NA	NA
+PJ057842	GGGGGGGGGGKF 	C35H53N13O13	863.3887	NA	PeJP	NA	NA
+PJ057843	PKMYYY 	C43H57N7O10S	863.3888	NA	PeJP	NA	NA
+PJ057844	ACCKHFR 	C36H57N13O8S2	863.3895	NA	PeJP	NA	NA
+PJ057845	MRWWW 	C44H53N11O6S	863.3901	NA	PeJP	NA	NA
+PJ057846	PVVEEEY 	C39H57N7O15	863.3913	NA	PeJP	NA	NA
+PJ057847	GSEEMRR 	C32H57N13O13S	863.392	NA	PeJP	NA	NA
+PJ057848	PPLEMMF 	C40H61N7O10S2	863.3922	NA	PeJP	NA	NA
+PJ057849	STERWW 	C40H53N11O11	863.3926	NA	PeJP	NA	NA
+PJ057850	GGGGGVQFW 	C40H53N11O11	863.3927	NA	PeJP	NA	NA
+PJ057851	APCMMRR 	C33H61N13O8S3	863.3929	NA	PeJP	NA	NA
+PJ057852	TLLEEEM 	C36H61N7O15S	863.3947	NA	PeJP	NA	NA
+PJ057853	PLLEMMM 	C37H65N7O10S3	863.3955	NA	PeJP	NA	NA
+PJ057854	DKEMRW 	C37H57N11O11S	863.396	NA	PeJP	NA	NA
+PJ057855	SSLWWW 	C45H53N9O9	863.3967	NA	PeJP	NA	NA
+PJ057856	MHHHFR 	C38H53N15O7S	863.3974	NA	PeJP	NA	NA
+PJ057857	SSKEEER 	C33H57N11O16	863.3985	NA	PeJP	NA	NA
+PJ057858	GLQEMMR 	C34H61N11O11S2	863.3994	NA	PeJP	NA	NA
+PJ057859	ASQEHHR 	C34H53N15O12	863.3998	NA	PeJP	NA	NA
+PJ057860	GTQEHHR 	C34H53N15O12	863.3999	NA	PeJP	NA	NA
+PJ057861	VDKMWW 	C42H57N9O9S	863.4	NA	PeJP	NA	NA
+PJ057862	AFFFFW 	C50H53N7O7	863.4007	NA	PeJP	NA	NA
+PJ057863	ATTKEEW 	C38H57N9O14	863.4025	NA	PeJP	NA	NA
+PJ057864	GGGVVVDDF 	C38H57N9O14	863.4026	NA	PeJP	NA	NA
+PJ057865	SSNNMRR 	C31H57N15O12S	863.4032	NA	PeJP	NA	NA
+PJ057866	APTKMMW 	C39H61N9O9S2	863.4034	NA	PeJP	NA	NA
+PJ057867	NNQFRW 	C39H53N13O10	863.4039	NA	PeJP	NA	NA
+PJ057868	AKKEEEM 	C35H61N9O14S	863.4059	NA	PeJP	NA	NA
+PJ057869	VKEYYY 	C43H57N7O12	863.4065	NA	PeJP	NA	NA
+PJ057870	PPPVEYY 	C43H57N7O12	863.4066	NA	PeJP	NA	NA
+PJ057871	PVQKMMM 	C36H65N9O9S3	863.4068	NA	PeJP	NA	NA
+PJ057872	SEMRRW 	C36H57N13O10S	863.4072	NA	PeJP	NA	NA
+PJ057873	GGGTCKRW 	C36H57N13O10S	863.4073	NA	PeJP	NA	NA
+PJ057874	GPRYWW 	C44H53N11O8	863.4079	NA	PeJP	NA	NA
+PJ057875	SSTEERR 	C32H57N13O15	863.4097	NA	PeJP	NA	NA
+PJ057876	GGGSSSKER 	C32H57N13O15	863.4098	NA	PeJP	NA	NA
+PJ057877	PVLEEMF 	C40H61N7O12S	863.4099	NA	PeJP	NA	NA
+PJ057878	AAEMMRR 	C33H61N13O10S2	863.4106	NA	PeJP	NA	NA
+PJ057879	GSDHHRR 	C33H53N17O11	863.4111	NA	PeJP	NA	NA
+PJ057880	SVMRWW 	C41H57N11O8S	863.4113	NA	PeJP	NA	NA
+PJ057881	VLLEEMM 	C37H65N7O12S2	863.4133	NA	PeJP	NA	NA
+PJ057882	SSSLERW 	C37H57N11O13	863.4138	NA	PeJP	NA	NA
+PJ057883	LQMMRW 	C38H61N11O8S2	863.4146	NA	PeJP	NA	NA
+PJ057884	TQHHRW 	C38H53N15O9	863.4151	NA	PeJP	NA	NA
+PJ057885	ATKEEMR 	C34H61N11O13S	863.4171	NA	PeJP	NA	NA
+PJ057886	GGGATDKKM 	C34H61N11O13S	863.4172	NA	PeJP	NA	NA
+PJ057887	GTTTLWW 	C42H57N9O11	863.4178	NA	PeJP	NA	NA
+PJ057888	APKMMMR 	C35H65N11O8S3	863.418	NA	PeJP	NA	NA
+3809	NA	LQSGDALRVPSGTTYY	863.41845	MH2+	Inhouse_peptide	NA	peptide
+PJ057889	GVQMHHR 	C35H57N15O9S	863.4185	NA	PeJP	NA	NA
+PJ057890	AKHHWW 	C43H53N13O7	863.4191	NA	PeJP	NA	NA
+PJ057891	GSSSSQRR 	C31H57N15O14	863.421	NA	PeJP	NA	NA
+PJ057892	PTTTKMW 	C39H61N9O11S	863.4211	NA	PeJP	NA	NA
+PJ057893	GTLKEMW 	C39H61N9O11S	863.4212	NA	PeJP	NA	NA
+PJ057894	PKFFYY 	C47H57N7O9	863.4218	NA	PeJP	NA	NA
+PJ057895	DMMRRR 	C32H61N15O9S2	863.4219	NA	PeJP	NA	NA
+PJ057896	PCFRRW 	C40H57N13O7S	863.4225	NA	PeJP	NA	NA
+PJ057897	ATTTTLQE 	C35H61N9O16	863.4236	NA	PeJP	NA	NA
+PJ057898	TTKKEEE 	C35H61N9O16	863.4237	NA	PeJP	NA	NA
+PJ057899	PTKKEMM 	C36H65N9O11S2	863.4245	NA	PeJP	NA	NA
+PJ057900	SSSNKRW 	C36H57N13O12	863.425	NA	PeJP	NA	NA
+PJ057901	LKMFYY 	C44H61N7O9S	863.4252	NA	PeJP	NA	NA
+PJ057902	CLMRRW 	C37H61N13O7S2	863.4259	NA	PeJP	NA	NA
+PJ057903	PTLLEEY 	C40H61N7O14	863.4277	NA	PeJP	NA	NA
+PJ057904	ATTEMRR 	C33H61N13O12S	863.4284	NA	PeJP	NA	NA
+PJ057905	PPLLMMY 	C41H65N7O9S2	863.4286	NA	PeJP	NA	NA
+PJ057906	PDKRYW 	C41H57N11O10	863.429	NA	PeJP	NA	NA
+PJ057907	QMHHRR 	C34H57N17O8S	863.4297	NA	PeJP	NA	NA
+PJ057908	GTTLMRW 	C38H61N11O10S	863.4324	NA	PeJP	NA	NA
+PJ057909	PTKFWW 	C46H57N9O8	863.433	NA	PeJP	NA	NA
+PJ057910	GGVLFWW 	C46H57N9O8	863.4331	NA	PeJP	NA	NA
+PJ057911	TTTKEER 	C34H61N11O15	863.4349	NA	PeJP	NA	NA
+PJ057912	GLKEMMR 	C35H65N11O10S2	863.4358	NA	PeJP	NA	NA
+PJ057913	NQQRRY 	C35H57N15O11	863.4362	NA	PeJP	NA	NA
+PJ057914	GGGGAARRY 	C35H57N15O11	863.4363	NA	PeJP	NA	NA
+PJ057915	TLKMWW 	C43H61N9O8S	863.4364	NA	PeJP	NA	NA
+PJ057916	STTLKEW 	C39H61N9O13	863.4389	NA	PeJP	NA	NA
+PJ057917	SSCQKRR 	C32H61N15O11S	863.4396	NA	PeJP	NA	NA
+PJ057918	GVLKMMW 	C40H65N9O8S2	863.4398	NA	PeJP	NA	NA
+PJ057919	SPRRYW 	C40H57N13O9	863.4403	NA	PeJP	NA	NA
+PJ057920	CHHRRR 	C33H57N19O7S	863.441	NA	PeJP	NA	NA
+PJ057921	SLKKEEM 	C36H65N9O13S	863.4423	NA	PeJP	NA	NA
+PJ057922	PPVLEFY 	C44H61N7O11	863.4429	NA	PeJP	NA	NA
+PJ057923	PVKKMMM 	C37H69N9O8S3	863.4432	NA	PeJP	NA	NA
+PJ057924	GSCKKRW 	C37H61N13O9S	863.4436	NA	PeJP	NA	NA
+PJ057925	GLFRWW 	C45H57N11O7	863.4443	NA	PeJP	NA	NA
+PJ057926	TTTTERR 	C33H61N13O14	863.4461	NA	PeJP	NA	NA
+PJ057927	PVLLEMY 	C41H65N7O11S	863.4463	NA	PeJP	NA	NA
+PJ057928	GTLMMRR 	C34H65N13O9S2	863.447	NA	PeJP	NA	NA
+PJ057929	GTTHHRR 	C34H57N17O10	863.4475	NA	PeJP	NA	NA
+PJ057930	PKMFRW 	C42H61N11O7S	863.4477	NA	PeJP	NA	NA
+PJ057931	STTTLRW 	C38H61N11O12	863.4501	NA	PeJP	NA	NA
+PJ057932	GGSTTKKW 	C38H61N11O12	863.4502	NA	PeJP	NA	NA
+PJ057933	LKMMRW 	C39H65N11O7S2	863.451	NA	PeJP	NA	NA
+PJ057934	TKHHRW 	C39H57N15O8	863.4515	NA	PeJP	NA	NA
+PJ057935	STLKEMR 	C35H65N11O12S	863.4535	NA	PeJP	NA	NA
+PJ057936	GPTLKYW 	C43H61N9O10	863.4542	NA	PeJP	NA	NA
+PJ057937	APPMHRR 	C36H61N15O8S	863.4549	NA	PeJP	NA	NA
+PJ057938	GSSSSKRR 	C32H61N15O13	863.4574	NA	PeJP	NA	NA
+PJ057939	SSLLKMW 	C40H65N9O10S	863.4575	NA	PeJP	NA	NA
+PJ057940	GGPVLKMY 	C40H65N9O10S	863.4576	NA	PeJP	NA	NA
+PJ057941	LKFFFY 	C48H61N7O8	863.4582	NA	PeJP	NA	NA
+PJ057942	SSSTLLKE 	C36H65N9O15	863.46	NA	PeJP	NA	NA
+PJ057943	VVKKEMM 	C37H69N9O10S2	863.4609	NA	PeJP	NA	NA
+PJ057944	LQERRY 	C37H61N13O11	863.4614	NA	PeJP	NA	NA
+PJ057945	PPLLMFF 	C45H65N7O8S	863.4616	NA	PeJP	NA	NA
+PJ057946	VVLLEEY 	C41H65N7O13	863.4641	NA	PeJP	NA	NA
+PJ057947	STTLMRR 	C34H65N13O11S	863.4647	NA	PeJP	NA	NA
+PJ057948	GGSTKKMR 	C34H65N13O11S	863.4648	NA	PeJP	NA	NA
+PJ057949	PLLLMMF 	C42H69N7O8S2	863.4649	NA	PeJP	NA	NA
+PJ057950	VLQRYW 	C42H61N11O9	863.4654	NA	PeJP	NA	NA
+PJ057951	KMHHRR 	C35H61N17O7S	863.4661	NA	PeJP	NA	NA
+PJ057952	LLLLMMM 	C39H73N7O8S3	863.4683	NA	PeJP	NA	NA
+PJ057953	GSKKKMW 	C39H65N11O9S	863.4688	NA	PeJP	NA	NA
+PJ057954	VVKFWW 	C47H61N9O7	863.4694	NA	PeJP	NA	NA
+PJ057955	SSSTTLLR 	C35H65N11O14	863.4713	NA	PeJP	NA	NA
+PJ057956	SVLKMMR 	C36H69N11O9S2	863.4721	NA	PeJP	NA	NA
+PJ057957	TCLLKMR 	C36H69N11O9S2	863.4722	NA	PeJP	NA	NA
+PJ057958	VDRRRY 	C36H61N15O10	863.4726	NA	PeJP	NA	NA
+PJ057959	SPLKKEY 	C40H65N9O12	863.4753	NA	PeJP	NA	NA
+PJ057960	SSCKKRR 	C33H65N15O10S	863.476	NA	PeJP	NA	NA
+PJ057961	ALRRYW 	C41H61N13O8	863.4766	NA	PeJP	NA	NA
+PJ057962	GPVLHRW 	C41H61N13O8	863.4767	NA	PeJP	NA	NA
+PJ057963	GTTTLLKM 	C37H69N9O12S	863.4787	NA	PeJP	NA	NA
+PJ057964	PPVLLYY 	C45H65N7O10	863.4793	NA	PeJP	NA	NA
+PJ057965	AALMFRR 	C38H65N13O8S	863.48	NA	PeJP	NA	NA
+PJ057966	GSSTTKKR 	C34H65N13O13	863.4825	NA	PeJP	NA	NA
+PJ057967	VLLLEMF 	C42H69N7O10S	863.4827	NA	PeJP	NA	NA
+PJ057968	ACKKKMR 	C35H69N13O8S2	863.4834	NA	PeJP	NA	NA
+PJ057969	GPNKHRR 	C35H61N17O9	863.4839	NA	PeJP	NA	NA
+PJ057970	SSTKKKW 	C39H65N11O11	863.4865	NA	PeJP	NA	NA
+PJ057971	GGGAALKKY 	C39H65N11O11	863.4866	NA	PeJP	NA	NA
+PJ057972	PLHRRW 	C40H61N15O7	863.4879	NA	PeJP	NA	NA
+PJ057973	SDKKKKM 	C36H69N11O11S	863.4899	NA	PeJP	NA	NA
+PJ057974	AALLKYW 	C44H65N9O9	863.4906	NA	PeJP	NA	NA
+PJ057975	VMFRRR 	C37H65N15O7S	863.4913	NA	PeJP	NA	NA
+PJ057976	PVVKKMY 	C41H69N9O9S	863.4939	NA	PeJP	NA	NA
+PJ057977	STTTTLLK 	C37H69N9O14	863.4964	NA	PeJP	NA	NA
+PJ057978	TLLKKMM 	C38H73N9O9S2	863.4973	NA	PeJP	NA	NA
+PJ057979	LKERRY 	C38H65N13O10	863.4978	NA	PeJP	NA	NA
+PJ057980	TLLLLEY 	C42H69N7O12	863.5004	NA	PeJP	NA	NA
+PJ057981	SSKKKMR 	C35H69N13O10S	863.5011	NA	PeJP	NA	NA
+PJ057982	VLKRYW 	C43H65N11O8	863.5018	NA	PeJP	NA	NA
+PJ057983	GLLKMFR 	C40H69N11O8S	863.5052	NA	PeJP	NA	NA
+PJ057984	SSSSLKKK 	C36H69N11O13	863.5077	NA	PeJP	NA	NA
+PJ057985	AKKKKMM 	C37H73N11O8S2	863.5085	NA	PeJP	NA	NA
+PJ057986	TLRRRY 	C37H65N15O9	863.509	NA	PeJP	NA	NA
+PJ057987	ALLKKEY 	C41H69N9O11	863.5117	NA	PeJP	NA	NA
+PJ057988	PVLLLFY 	C46H69N7O9	863.5157	NA	PeJP	NA	NA
+PJ057989	VLLLLMY 	C43H73N7O9S	863.5191	NA	PeJP	NA	NA
+PJ057990	ATLLKRY 	C40H69N11O10	863.5229	NA	PeJP	NA	NA
+PJ057991	TTKKKKM 	C37H73N11O10S	863.5263	NA	PeJP	NA	NA
+PJ057992	PVVKKFF 	C45H69N9O8	863.527	NA	PeJP	NA	NA
+PJ057993	VVLKKMF 	C42H73N9O8S	863.5303	NA	PeJP	NA	NA
+PJ057994	AAKKKRY 	C39H69N13O9	863.5342	NA	PeJP	NA	NA
+PJ057995	KKKKFW 	C44H69N11O7	863.5382	NA	PeJP	NA	NA
+PJ057996	GLLLHRR 	C38H69N15O8	863.5454	NA	PeJP	NA	NA
+MJ096457	Curcacycline B 	C42H73N9O10	863.548039	NA	MeJP	NA	NA
+PJ057997	SLLLKKY 	C42H73N9O10	863.5481	NA	PeJP	NA	NA
+PJ057998	VLLLLFF 	C47H73N7O8	863.5521	NA	PeJP	NA	NA
+PJ057999	GLKKKKY 	C41H73N11O9	863.5593	NA	PeJP	NA	NA
+EUR1013	PC 38:7 [M-H+acetate]-	C46H78NO8P	863.567607	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1013	PC 38:7 [M-H+acetate]-	C46H78NO8P	863.567607	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1013	PC 38:7 [M-H+acetate]-	C46H78NO8P	863.567607	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1013	PC 38:7 [M-H+acetate]-	C46H78NO8P	863.567607	masses lipides attendues	Inhousejuil11	NA	NA
+PJ058000	PPLLLRR 	C40H73N13O8	863.5706	NA	PeJP	NA	NA
+PJ058001	APPLLLLK 	C43H77N9O9	863.5845	NA	PeJP	NA	NA
+PJ058002	LLLLKKH 	C42H77N11O8	863.5957	NA	PeJP	NA	NA
+HMDB12316	3-O-Sulfogalactosylceramide (d18:1/22:0)	C46H89NO11S	863.615662	NA	HMDB2010	NA	NA
+HMDB08257	PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08286	PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08287	PC(20:0/22:5(7Z,10Z,13Z,16Z,19Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08318	PC(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08383	PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08415	PC(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08447	PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08480	PC(20:4(8Z,11Z,14Z,17Z)/22:1(13Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08512	PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08544	PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08574	PC(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08575	PC(22:1(13Z)/20:4(8Z,11Z,14Z,17Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08605	PC(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08606	PC(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08636	PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08668	PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08701	PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+HMDB08799	PC(24:1(15Z)/18:4(6Z,9Z,12Z,15Z))	C50H90NO8P	863.640381	NA	HMDB2010	NA	NA
+MJ096458	3-Glucosyl-2,4,4',6-tetrahydroxybenzophenone; 2'',3'',6''-Tri-O-galloyl 	C40H32O22	864.138522	NA	MeJP	NA	NA
+PJ058003	CCCCCCNN 	C26H44N10O11S6	864.1516	NA	PeJP	NA	NA
+PJ058004	SCCCCCDE 	C27H44N8O14S5	864.1581	NA	PeJP	NA	NA
+PJ058005	PCCCCCCM 	C28H48N8O9S7	864.159	NA	PeJP	NA	NA
+PJ058006	GCCCCDMM 	C28H48N8O11S6	864.1767	NA	PeJP	NA	NA
+MJ096459	3,3',4',5,7-Pentahydroxyflavan(2?7,4?6)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C45H36O18	864.190164	NA	MeJP	NA	NA
+MJ096460	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C45H36O18	864.190164	NA	MeJP	NA	NA
+MJ096461	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-pentahydroxyflavan 	C45H36O18	864.190164	NA	MeJP	NA	NA
+MJ096462	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan 	C45H36O18	864.190164	NA	MeJP	NA	NA
+C17631	Cinnamtannin B1	C45H36O18	864.1902	NA	KEGG	NA	NA
+C17632	Cinnamtannin D1	C45H36O18	864.1902	NA	KEGG	NA	NA
+PJ058007	GCCCCDDF 	C31H44N8O13S4	864.1911	NA	PeJP	NA	NA
+PJ058008	SSCCCCEM 	C28H48N8O13S5	864.1945	NA	PeJP	NA	NA
+PJ058009	GCCCCCHH 	C29H44N12O9S5	864.1958	NA	PeJP	NA	NA
+PJ058010	GSCCCDDY 	C31H44N8O15S3	864.2089	NA	PeJP	NA	NA
+PJ058011	APCCCCCY 	C32H48N8O10S5	864.2097	NA	PeJP	NA	NA
+PJ058012	GSCCCMMM 	C29H52N8O10S6	864.2131	NA	PeJP	NA	NA
+PJ058013	PPCCCCCH 	C31H48N10O9S5	864.221	NA	PeJP	NA	NA
+MJ096463	3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan, 3''''',5'''''-Dihydroxy, 4'''''-Me ether 	C46H40O17	864.226549	NA	MeJP	NA	NA
+PJ058014	CCCNEMY 	C32H48N8O12S4	864.2275	NA	PeJP	NA	NA
+PJ058015	SSTCCCMM 	C29H52N8O12S5	864.2309	NA	PeJP	NA	NA
+PJ058016	GCCCNNDH 	C29H44N12O13S3	864.2313	NA	PeJP	NA	NA
+PJ058017	GGGGGCCCDH 	C29H44N12O13S3	864.2314	NA	PeJP	NA	NA
+PJ058018	GSCCDDEH 	C30H44N10O16S2	864.2379	NA	PeJP	NA	NA
+PJ058019	CCCCDRY 	C31H48N10O11S4	864.2387	NA	PeJP	NA	NA
+PJ058020	GCCCMYW 	C36H48N8O9S4	864.2427	NA	PeJP	NA	NA
+PJ058021	GPCDDDDE 	C31H44N8O19S	864.2444	NA	PeJP	NA	NA
+PJ058022	GSSCCDMY 	C32H48N8O14S3	864.2452	NA	PeJP	NA	NA
+PJ058023	CCCQMMF 	C33H52N8O9S5	864.2461	NA	PeJP	NA	NA
+PJ058024	SCCDDHW 	C34H44N10O13S2	864.2531	NA	PeJP	NA	NA
+PJ058025	SSSCDDDH 	C30H44N10O18S	864.2556	NA	PeJP	NA	NA
+PJ058026	CNDDMMH 	C31H48N10O13S3	864.2565	NA	PeJP	NA	NA
+PJ058027	CCCCMFR 	C32H52N10O8S5	864.2574	NA	PeJP	NA	NA
+PJ058028	PCDDDDW 	C35H44N8O16S	864.2596	NA	PeJP	NA	NA
+PJ058029	STCCCYW 	C36H48N8O11S3	864.2605	NA	PeJP	NA	NA
+PJ058030	NDDDEEE 	C31H44N8O21	864.2621	NA	PeJP	NA	NA
+PJ058031	GGDDDEEE 	C31H44N8O21	864.2622	NA	PeJP	NA	NA
+PJ058032	SSSSCCEY 	C32H48N8O16S2	864.263	NA	PeJP	NA	NA
+PJ058033	SCCQMMY 	C33H52N8O11S4	864.2639	NA	PeJP	NA	NA
+PJ058034	GCNNNNDD 	C29H44N12O17S	864.2668	NA	PeJP	NA	NA
+PJ058035	GGGCNNNDD 	C29H44N12O17S	864.2669	NA	PeJP	NA	NA
+PJ058036	CCCDEHR 	C30H48N12O12S3	864.2677	NA	PeJP	NA	NA
+MJ096464	Oleoacteoside; Derhamnosyl 	C40H48O21	864.268808	NA	MeJP	NA	NA
+PJ058037	CNDDDHF 	C34H44N10O15S	864.2709	NA	PeJP	NA	NA
+PJ058038	GCCEMHW 	C35H48N10O10S3	864.2717	NA	PeJP	NA	NA
+PJ058039	DDDDDDR 	C30H44N10O20	864.2734	NA	PeJP	NA	NA
+PJ058040	GSSCDEMH 	C31H48N10O15S2	864.2742	NA	PeJP	NA	NA
+PJ058041	GGGPCNDDM 	C31H48N10O15S2	864.2743	NA	PeJP	NA	NA
+PJ058042	SCCCMRY 	C32H52N10O10S4	864.2751	NA	PeJP	NA	NA
+PJ058043	CCNDHHH 	C32H44N14O11S2	864.2756	NA	PeJP	NA	NA
+PJ058044	GCCCFFW 	C40H48N8O8S3	864.2758	NA	PeJP	NA	NA
+PJ058045	GDDDEEW 	C35H44N8O18	864.2774	NA	PeJP	NA	NA
+PJ058046	GCNDMYY 	C36H48N8O13S2	864.2783	NA	PeJP	NA	NA
+PJ058047	GSPDDDEM 	C32H48N8O18S	864.2808	NA	PeJP	NA	NA
+PJ058048	GSSSCMMY 	C33H52N8O13S3	864.2816	NA	PeJP	NA	NA
+PJ058049	CCCKMMF 	C34H56N8O8S5	864.2825	NA	PeJP	NA	NA
+MJ096465	Polyketomycin 	C44H48O18	864.284064	NA	MeJP	NA	NA
+PJ058050	SSSCCNQH 	C30H48N12O14S2	864.2855	NA	PeJP	NA	NA
+PJ058051	CCMHWW 	C39H48N10O7S3	864.287	NA	PeJP	NA	NA
+PJ058052	SNNDDDW 	C34H44N10O17	864.2886	NA	PeJP	NA	NA
+PJ058053	SSCDMHW 	C35H48N10O12S2	864.2895	NA	PeJP	NA	NA
+PJ058054	SSSSDDMH 	C31H48N10O17S	864.292	NA	PeJP	NA	NA
+PJ058055	DDDEWW 	C39H44N8O15	864.2926	NA	PeJP	NA	NA
+PJ058056	SNDMMMH 	C32H52N10O12S3	864.2929	NA	PeJP	NA	NA
+PJ058057	CCQYYW 	C40H48N8O10S2	864.2935	NA	PeJP	NA	NA
+PJ058058	SPDDDMW 	C36H48N8O15S	864.296	NA	PeJP	NA	NA
+PJ058059	PPCCEMW 	C37H52N8O10S3	864.2969	NA	PeJP	NA	NA
+PJ058060	SNEEEEE 	C32H48N8O20	864.2985	NA	PeJP	NA	NA
+PJ058061	SSSSTCMY 	C33H52N8O15S2	864.2994	NA	PeJP	NA	NA
+PJ058062	SCCKMMY 	C34H56N8O10S4	864.3002	NA	PeJP	NA	NA
+PJ058063	SPPPCCMM 	C34H56N8O10S4	864.3003	NA	PeJP	NA	NA
+PJ058064	CCNNQHF 	C34H48N12O11S2	864.3007	NA	PeJP	NA	NA
+PJ058065	GGGGGACCHF 	C34H48N12O11S2	864.3008	NA	PeJP	NA	NA
+PJ058066	CNNDDER 	C30H48N12O16S	864.3032	NA	PeJP	NA	NA
+PJ058067	GGGACDDDR 	C30H48N12O16S	864.3033	NA	PeJP	NA	NA
+PJ058068	EEMMYY 	C38H52N6O13S2	864.3034	NA	PeJP	NA	NA
+PJ058069	SCCEMHR 	C31H52N12O11S3	864.3041	NA	PeJP	NA	NA
+PJ058070	GPCCHYW 	C39H48N10O9S2	864.3047	NA	PeJP	NA	NA
+PJ058071	GPCCNWW 	C39H48N10O9S2	864.3048	NA	PeJP	NA	NA
+C02463	Precorrin 2	C42H48N4O16	864.3065	NA	KEGG	NA	NA
+MJ096466	Sirohydrochlorin 	C42H48N4O16	864.306531	NA	MeJP	NA	NA
+MetaCyc04206	precorrin-2 [dihydrosirohydrochlorin;]	C42H48N4O16	864.306532	65207-12-7	metacyc	NA	NA
+PJ058072	GCDQQEW 	C35H48N10O14S	864.3072	NA	PeJP	NA	NA
+PJ058073	GNNDEMW 	C35H48N10O14S	864.3073	NA	PeJP	NA	NA
+PJ058074	GTCMMHW 	C36H52N10O9S3	864.3081	NA	PeJP	NA	NA
+PJ058075	GSTNDDQE 	C31H48N10O19	864.3097	NA	PeJP	NA	NA
+PJ058076	SDDDEER 	C31H48N10O19	864.3098	NA	PeJP	NA	NA
+PJ058077	PCDDEMR 	C32H52N10O14S2	864.3106	NA	PeJP	NA	NA
+PJ058078	NNNDDHH 	C32H44N14O15	864.3111	NA	PeJP	NA	NA
+PJ058079	GSSCYYW 	C40H48N8O12S	864.3113	NA	PeJP	NA	NA
+PJ058080	GQMMMMH 	C33H56N10O9S4	864.3115	NA	PeJP	NA	NA
+PJ058081	SCNMHHH 	C33H48N14O10S2	864.312	NA	PeJP	NA	NA
+PJ058082	GSEEEEW 	C36H48N8O17	864.3138	NA	PeJP	NA	NA
+PJ058083	GSNMMYY 	C37H52N8O12S2	864.3146	NA	PeJP	NA	NA
+PJ058084	GPDEMMW 	C37H52N8O12S2	864.3147	NA	PeJP	NA	NA
+PJ058085	VNDEEEM 	C33H52N8O17S	864.3171	NA	PeJP	NA	NA
+PJ058086	AQEEEEM 	C33H52N8O17S	864.3172	NA	PeJP	NA	NA
+PJ058087	DEEFYY 	C41H48N6O15	864.3178	NA	PeJP	NA	NA
+PJ058088	GSPPDMMM 	C34H56N8O12S3	864.318	NA	PeJP	NA	NA
+PJ058089	GCNDDRW 	C34H48N12O13S	864.3185	NA	PeJP	NA	NA
+PJ058090	PCCCHFR 	C35H52N12O8S3	864.3194	NA	PeJP	NA	NA
+PJ058091	GSSNDDDR 	C30H48N12O18	864.321	NA	PeJP	NA	NA
+PJ058092	NNNNQMM 	C31H52N12O13S2	864.3218	NA	PeJP	NA	NA
+PJ058093	GSPCCNER 	C31H52N12O13S2	864.3219	NA	PeJP	NA	NA
+PJ058094	NNDMWW 	C39H48N10O11S	864.3225	NA	PeJP	NA	NA
+PJ058095	GCMMMHR 	C32H56N12O8S4	864.3227	NA	PeJP	NA	NA
+PJ058096	SSNNEEW 	C35H48N10O16	864.325	NA	PeJP	NA	NA
+PJ058097	SSSMMHW 	C36H52N10O11S2	864.3259	NA	PeJP	NA	NA
+PJ058098	GDEEEMR 	C32H52N10O16S	864.3284	NA	PeJP	NA	NA
+PJ058099	SEEEWW 	C40H48N8O14	864.329	NA	PeJP	NA	NA
+PJ058100	STQMMMH 	C33H56N10O11S3	864.3292	NA	PeJP	NA	NA
+PJ058101	GGTTMMMH 	C33H56N10O11S3	864.3293	NA	PeJP	NA	NA
+PJ058102	GSSTCHHH 	C33H48N14O12S	864.3297	NA	PeJP	NA	NA
+PJ058103	PDMMWW 	C41H52N8O9S2	864.3299	NA	PeJP	NA	NA
+PJ058104	AAEEEMW 	C37H52N8O14S	864.3324	NA	PeJP	NA	NA
+PJ058105	CNNNNMR 	C30H52N14O12S2	864.3331	NA	PeJP	NA	NA
+PJ058106	PPTCMMW 	C38H56N8O9S3	864.3333	NA	PeJP	NA	NA
+PJ058107	APCDHHW 	C38H48N12O10S	864.3337	NA	PeJP	NA	NA
+PJ058108	GPCEHHW 	C38H48N12O10S	864.3338	NA	PeJP	NA	NA
+PJ058109	SDKEEEE 	C33H52N8O19	864.3349	NA	PeJP	NA	NA
+PJ058110	PTQEEMM 	C34H56N8O14S2	864.3358	NA	PeJP	NA	NA
+PJ058111	GSSSNNNW 	C34H48N12O15	864.3362	NA	PeJP	NA	NA
+PJ058112	GGGGGSSSNW 	C34H48N12O15	864.3363	NA	PeJP	NA	NA
+PJ058113	PEMYYY 	C42H52N6O12S	864.3364	NA	PeJP	NA	NA
+PJ058114	PPQMMMM 	C35H60N8O9S4	864.3366	NA	PeJP	NA	NA
+PJ058115	GAPPMMMM 	C35H60N8O9S4	864.3367	NA	PeJP	NA	NA
+PJ058116	SPCCNRW 	C35H52N12O10S2	864.3371	NA	PeJP	NA	NA
+PJ058117	GCQWWW 	C43H48N10O8S	864.3378	NA	PeJP	NA	NA
+PJ058118	SNNDEMR 	C31H52N12O15S	864.3396	NA	PeJP	NA	NA
+PJ058119	GSSNEWW 	C39H48N10O13	864.3403	NA	PeJP	NA	NA
+PJ058120	STCMMHR 	C32H56N12O10S3	864.3405	NA	PeJP	NA	NA
+PJ058121	NMMHFW 	C40H52N10O8S2	864.3411	NA	PeJP	NA	NA
+PJ058122	DEEMRW 	C36H52N10O13S	864.3436	NA	PeJP	NA	NA
+PJ058123	GGGGATEMW 	C36H52N10O13S	864.3437	NA	PeJP	NA	NA
+PJ058124	PDDFWW 	C44H48N8O11	864.3443	NA	PeJP	NA	NA
+PJ058125	PCCKMHF 	C37H56N10O8S3	864.3445	NA	PeJP	NA	NA
+PJ058126	GCQHHHF 	C37H48N14O9S	864.345	NA	PeJP	NA	NA
+PJ058127	SSEEEER 	C32H52N10O18	864.3461	NA	PeJP	NA	NA
+PJ058128	GGGSSDKEE 	C32H52N10O18	864.3462	NA	PeJP	NA	NA
+PJ058129	SPDEMMR 	C33H56N10O13S2	864.347	NA	PeJP	NA	NA
+PJ058130	GDDEHHR 	C33H48N14O14	864.3475	NA	PeJP	NA	NA
+PJ058131	NQMFYY 	C41H52N8O11S	864.3476	NA	PeJP	NA	NA
+PJ058132	VDEMWW 	C41H52N8O11S	864.3477	NA	PeJP	NA	NA
+PJ058133	PPCMMMR 	C34H60N10O8S4	864.3479	NA	PeJP	NA	NA
+PJ058134	TCCKHHH 	C34H52N14O9S2	864.3484	NA	PeJP	NA	NA
+PJ058135	PCHHWW 	C42H48N12O7S	864.349	NA	PeJP	NA	NA
+PJ058136	GSSSTTYY 	C37H52N8O16	864.3501	NA	PeJP	NA	NA
+PJ058137	ATTEEEW 	C37H52N8O16	864.3502	NA	PeJP	NA	NA
+PJ058138	SCNDDRR 	C30H52N14O14S	864.3508	NA	PeJP	NA	NA
+PJ058139	GGSCDDRR 	C30H52N14O14S	864.3509	NA	PeJP	NA	NA
+PJ058140	APTEMMW 	C38H56N8O11S2	864.351	NA	PeJP	NA	NA
+PJ058141	GNNNNFW 	C38H48N12O12	864.3515	NA	PeJP	NA	NA
+PJ058142	PCCCQRR 	C31H56N14O9S3	864.3517	NA	PeJP	NA	NA
+PJ058143	AKEEEEM 	C34H56N8O16S	864.3535	NA	PeJP	NA	NA
+PJ058144	VEEYYY 	C42H52N6O14	864.3542	NA	PeJP	NA	NA
+PJ058145	PVQEMMM 	C35H60N8O11S3	864.3544	NA	PeJP	NA	NA
+PJ058146	GSNDMRW 	C35H52N12O12S	864.3549	NA	PeJP	NA	NA
+PJ058147	SSNWWW 	C43H48N10O10	864.3555	NA	PeJP	NA	NA
+PJ058148	GSSSNEER 	C31H52N12O17	864.3574	NA	PeJP	NA	NA
+PJ058149	GNQEMMR 	C32H56N12O12S2	864.3582	NA	PeJP	NA	NA
+PJ058150	GGGQEMMR 	C32H56N12O12S2	864.3583	NA	PeJP	NA	NA
+PJ058151	SQQMWW 	C40H52N10O10S	864.3589	NA	PeJP	NA	NA
+PJ058152	SSNDKEW 	C36H52N10O15	864.3614	NA	PeJP	NA	NA
+PJ058153	AAQQMMW 	C37H56N10O10S2	864.3623	NA	PeJP	NA	NA
+PJ058154	DDHHRW 	C37H48N14O11	864.3627	NA	PeJP	NA	NA
+PJ058155	GGGGGTHHW 	C37H48N14O11	864.3628	NA	PeJP	NA	NA
+PJ058156	ATEEEMR 	C33H56N10O15S	864.3648	NA	PeJP	NA	NA
+PJ058157	AAPEEYW 	C41H52N8O13	864.3654	NA	PeJP	NA	NA
+PJ058158	APEMMMR 	C34H60N10O10S3	864.3656	NA	PeJP	NA	NA
+PJ058159	GGGGPKMMM 	C34H60N10O10S3	864.3657	NA	PeJP	NA	NA
+PJ058160	SPCEHHR 	C34H52N14O11S	864.3661	NA	PeJP	NA	NA
+PJ058161	GPPMMFW 	C42H56N8O8S2	864.3663	NA	PeJP	NA	NA
+PJ058162	AEHHWW 	C42H48N12O9	864.3668	NA	PeJP	NA	NA
+PJ058163	SSSSNNNR 	C30H52N14O16	864.3686	NA	PeJP	NA	NA
+PJ058164	GTLEEMW 	C38H56N8O13S	864.3688	NA	PeJP	NA	NA
+PJ058165	PPYYYY 	C46H52N6O11	864.3694	NA	PeJP	NA	NA
+PJ058166	GCNEMRR 	C31H56N14O11S2	864.3695	NA	PeJP	NA	NA
+PJ058167	GPLMMMW 	C39H60N8O8S3	864.3697	NA	PeJP	NA	NA
+PJ058168	SCQRWW 	C39H52N12O9S	864.3701	NA	PeJP	NA	NA
+PJ058169	TTKEEEE 	C34H56N8O18	864.3713	NA	PeJP	NA	NA
+PJ058170	PTKEEMM 	C35H60N8O13S2	864.3722	NA	PeJP	NA	NA
+PJ058171	SSSNERW 	C35H52N12O14	864.3726	NA	PeJP	NA	NA
+PJ058172	GGGGGGGGVQY 	C35H52N12O14	864.3727	NA	PeJP	NA	NA
+PJ058173	LEMFYY 	C43H56N6O11S	864.3728	NA	PeJP	NA	NA
+PJ058174	PPKMMMM 	C36H64N8O8S4	864.373	NA	PeJP	NA	NA
+PJ058175	NQMMRW 	C36H56N12O9S2	864.3735	NA	PeJP	NA	NA
+PJ058176	SPNHHHH 	C36H48N16O10	864.374	NA	PeJP	NA	NA
+PJ058177	GCKWWW 	C44H52N10O7S	864.3742	NA	PeJP	NA	NA
+PJ058178	SSQQEMR 	C32H56N12O14S	864.376	NA	PeJP	NA	NA
+PJ058179	GSTTQWW 	C40H52N10O12	864.3766	NA	PeJP	NA	NA
+PJ058180	GSSDKWW 	C40H52N10O12	864.3767	NA	PeJP	NA	NA
+PJ058181	PCCQKMR 	C33H60N12O9S3	864.3769	NA	PeJP	NA	NA
+PJ058182	GNNMHHR 	C33H52N16O10S	864.3773	NA	PeJP	NA	NA
+PJ058183	GGGNMHHR 	C33H52N16O10S	864.3774	NA	PeJP	NA	NA
+MJ096467	Pergidin 	C38H57N8O13P	864.37827	NA	MeJP	NA	NA
+PJ058184	GSQKEMW 	C37H56N10O12S	864.38	NA	PeJP	NA	NA
+PJ058185	PVDYWW 	C45H52N8O10	864.3807	NA	PeJP	NA	NA
+PJ058186	GCKHHHF 	C38H52N14O8S	864.3814	NA	PeJP	NA	NA
+PJ058187	TTTEEER 	C33H56N10O17	864.3825	NA	PeJP	NA	NA
+PJ058188	GLEEMMR 	C34H60N10O12S2	864.3834	NA	PeJP	NA	NA
+PJ058189	GNNNQRY 	C34H52N14O13	864.3839	NA	PeJP	NA	NA
+PJ058190	TLEMWW 	C42H56N8O10S	864.384	NA	PeJP	NA	NA
+PJ058191	GPVEMFW 	C42H56N8O10S	864.3841	NA	PeJP	NA	NA
+PJ058192	CNMRRW 	C35H56N14O8S2	864.3847	NA	PeJP	NA	NA
+PJ058193	STTLEEW 	C38H56N8O15	864.3865	NA	PeJP	NA	NA
+PJ058194	APKEEEY 	C38H56N8O15	864.3866	NA	PeJP	NA	NA
+PJ058195	SSNDMRR 	C31H56N14O13S	864.3872	NA	PeJP	NA	NA
+PJ058196	GGGGGSSCKR 	C31H56N14O13S	864.3873	NA	PeJP	NA	NA
+MJ096468	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 4,6-O-benzylidene, tetrabenzyl 	C54H56O10	864.387348	NA	MeJP	NA	NA
+PJ058197	GVLEMMW 	C39H60N8O10S2	864.3874	NA	PeJP	NA	NA
+PJ058198	GSSSRWW 	C39H52N12O11	864.3879	NA	PeJP	NA	NA
+PJ058199	PCCCKRR 	C32H60N14O8S3	864.3881	NA	PeJP	NA	NA
+PJ058200	SLKEEEM 	C35H60N8O15S	864.3899	NA	PeJP	NA	NA
+PJ058201	PVKEMMM 	C36H64N8O10S3	864.3908	NA	PeJP	NA	NA
+PJ058202	ASSQMRW 	C36H56N12O11S	864.3912	NA	PeJP	NA	NA
+PJ058203	GSTQMRW 	C36H56N12O11S	864.3913	NA	PeJP	NA	NA
+PJ058204	AQQFWW 	C44H52N10O9	864.3919	NA	PeJP	NA	NA
+PJ058205	ASSSTQER 	C32H56N12O16	864.3937	NA	PeJP	NA	NA
+PJ058206	GSSSDKER 	C32H56N12O16	864.3938	NA	PeJP	NA	NA
+PJ058207	GNKEMMR 	C33H60N12O11S2	864.3946	NA	PeJP	NA	NA
+PJ058208	GGGGGACKKM 	C33H60N12O11S2	864.3947	NA	PeJP	NA	NA
+PJ058209	SSNQHHR 	C33H52N16O12	864.3951	NA	PeJP	NA	NA
+PJ058210	SQKMWW 	C41H56N10O9S	864.3953	NA	PeJP	NA	NA
+PJ058211	SSTQKEW 	C37H56N10O14	864.3978	NA	PeJP	NA	NA
+PJ058212	VVCCQKW 	C38H60N10O9S2	864.3986	NA	PeJP	NA	NA
+PJ058213	LEMMRW 	C38H60N10O9S2	864.3987	NA	PeJP	NA	NA
+PJ058214	TEHHRW 	C38H52N14O10	864.3991	NA	PeJP	NA	NA
+PJ058215	PVMFWW 	C46H56N8O7S	864.3993	NA	PeJP	NA	NA
+PJ058216	TTQQKEM 	C34H60N10O14S	864.4011	NA	PeJP	NA	NA
+PJ058217	STLEEMR 	C34H60N10O14S	864.4012	NA	PeJP	NA	NA
+PJ058218	GPTLEYW 	C42H56N8O12	864.4018	NA	PeJP	NA	NA
+PJ058219	SPLMMMR 	C35H64N10O9S3	864.402	NA	PeJP	NA	NA
+PJ058220	GSTCRRW 	C35H56N14O10S	864.4025	NA	PeJP	NA	NA
+PJ058221	VLMMWW 	C43H60N8O7S2	864.4027	NA	PeJP	NA	NA
+PJ058222	GNFRWW 	C43H52N12O8	864.4031	NA	PeJP	NA	NA
+PJ058223	GGGFRWW 	C43H52N12O8	864.4032	NA	PeJP	NA	NA
+PJ058224	GSSSSERR 	C31H56N14O15	864.405	NA	PeJP	NA	NA
+PJ058225	SSLLEMW 	C39H60N8O12S	864.4052	NA	PeJP	NA	NA
+PJ058226	PLFYYY 	C47H56N6O10	864.4058	NA	PeJP	NA	NA
+PJ058227	GSQMMRR 	C32H60N14O10S2	864.4059	NA	PeJP	NA	NA
+PJ058228	SCKRWW 	C40H56N12O8S	864.4065	NA	PeJP	NA	NA
+PJ058229	SSSTLLEE 	C35H60N8O17	864.4077	NA	PeJP	NA	NA
+PJ058230	VVKEEMM 	C36H64N8O12S2	864.4085	NA	PeJP	NA	NA
+PJ058231	GATLLEMM 	C36H64N8O12S2	864.4086	NA	PeJP	NA	NA
+PJ058232	SSSDKRW 	C36H56N12O13	864.409	NA	PeJP	NA	NA
+PJ058233	GGGGGGGGPPPV 	C36H56N12O13	864.4091	NA	PeJP	NA	NA
+PJ058234	LLMYYY 	C44H60N6O10S	864.4092	NA	PeJP	NA	NA
+PJ058235	NKMMRW 	C37H60N12O8S2	864.4099	NA	PeJP	NA	NA
+PJ058236	GLQHHHH 	C37H52N16O9	864.4104	NA	PeJP	NA	NA
+PJ058237	SSQKEMR 	C33H60N12O13S	864.4124	NA	PeJP	NA	NA
+PJ058238	GSTTKWW 	C41H56N10O11	864.413	NA	PeJP	NA	NA
+PJ058239	GGGGGVLYW 	C41H56N10O11	864.4131	NA	PeJP	NA	NA
+PJ058240	PCCKKMR 	C34H64N12O8S3	864.4133	NA	PeJP	NA	NA
+PJ058241	EMHHRR 	C34H56N16O9S	864.4137	NA	PeJP	NA	NA
+PJ058242	GSKKEMW 	C38H60N10O11S	864.4164	NA	PeJP	NA	NA
+PJ058243	PTLYWW 	C46H56N8O9	864.4171	NA	PeJP	NA	NA
+PJ058244	VMHHRW 	C39H56N14O7S	864.4178	NA	PeJP	NA	NA
+PJ058245	GSSTKKEE 	C34H60N10O16	864.4189	NA	PeJP	NA	NA
+PJ058246	SVLEMMR 	C35H64N10O11S2	864.4198	NA	PeJP	NA	NA
+7428	coeliac toxic peptide	QQPFVQQQQPFVQQ	864.42	MH2+	Inhouse_peptide	NA	peptide
+PJ058247	SSSSRRW 	C35H56N14O12	864.4202	NA	PeJP	NA	NA
+PJ058248	GGQERRY 	C35H56N14O12	864.4203	NA	PeJP	NA	NA
+PJ058249	GPVLMYW 	C43H60N8O9S	864.4204	NA	PeJP	NA	NA
+PJ058250	AAHHHHR 	C36H52N18O8	864.4216	NA	PeJP	NA	NA
+PJ058251	SPLKEEY 	C39H60N8O14	864.4229	NA	PeJP	NA	NA
+PJ058252	SSTQMRR 	C32H60N14O12S	864.4236	NA	PeJP	NA	NA
+PJ058253	ATLLMMW 	C40H64N8O9S2	864.4238	NA	PeJP	NA	NA
+PJ058254	VNQRYW 	C40H56N12O10	864.4243	NA	PeJP	NA	NA
+PJ058255	GTTTLLEM 	C36H64N8O14S	864.4263	NA	PeJP	NA	NA
+PJ058256	VLLQMMM 	C37H68N8O9S3	864.4272	NA	PeJP	NA	NA
+PJ058257	GSTKMRW 	C37H60N12O10S	864.4276	NA	PeJP	NA	NA
+PJ058258	GGGPKMRY 	C37H60N12O10S	864.4277	NA	PeJP	NA	NA
+PJ058259	AQKFWW 	C45H56N10O8	864.4283	NA	PeJP	NA	NA
+PJ058260	GSSTTKER 	C33H60N12O15	864.4301	NA	PeJP	NA	NA
+PJ058261	GGGGSSSTKK 	C33H60N12O15	864.4302	NA	PeJP	NA	NA
+MJ096469	Leurosinone 	C49H60N4O10	864.430944	NA	MeJP	NA	NA
+PJ058262	GDKKMMR 	C34H64N12O10S2	864.431	NA	PeJP	NA	NA
+PJ058263	GPNEHRR 	C34H56N16O11	864.4315	NA	PeJP	NA	NA
+PJ058264	SKKMWW 	C42H60N10O8S	864.4317	NA	PeJP	NA	NA
+PJ058265	SSTKKEW 	C38H60N10O13	864.4342	NA	PeJP	NA	NA
+PJ058266	SSTCRRR 	C31H60N16O11S	864.4349	NA	PeJP	NA	NA
+PJ058267	AAKKMMW 	C39H64N10O8S2	864.435	NA	PeJP	NA	NA
+PJ058268	GQRRYW 	C39H56N14O9	864.4355	NA	PeJP	NA	NA
+PJ058269	SDKKKEM 	C35H64N10O13S	864.4375	NA	PeJP	NA	NA
+MJ096470	Grividomycin I 	C43H60N8O11	864.438154	NA	MeJP	NA	NA
+MJ096471	Viridogrisein; C-De-Me (R =H) 	C43H60N8O11	864.438154	NA	MeJP	NA	NA
+MJ096472	Viridogrisein; N9-De-Me 	C43H60N8O11	864.438154	NA	MeJP	NA	NA
+PJ058270	AALLEYW 	C43H60N8O11	864.4382	NA	PeJP	NA	NA
+PJ058271	ALLMMMR 	C36H68N10O8S3	864.4384	NA	PeJP	NA	NA
+PJ058272	QQMFRR 	C36H60N14O9S	864.4389	NA	PeJP	NA	NA
+PJ058273	GSSTTTRR 	C32H60N14O14	864.4414	NA	PeJP	NA	NA
+PJ058274	TTTILMW 	C40H64N8O11S	864.4415	NA	PeJP	NA	NA
+PJ058275	TTTLLMW 	C40H64N8O11S	864.4416	NA	PeJP	NA	NA
+PJ058276	LLFFYY 	C48H60N6O9	864.4422	NA	PeJP	NA	NA
+PJ058277	GSKMMRR 	C33H64N14O9S2	864.4423	NA	PeJP	NA	NA
+PJ058278	KMHFFR 	C41H60N12O7S	864.4429	NA	PeJP	NA	NA
+PJ058279	STTTTLLE 	C36H64N8O16	864.444	NA	PeJP	NA	NA
+PJ058280	TTTTTLLD 	C36H64N8O16	864.4441	NA	PeJP	NA	NA
+PJ058281	TLLKEMM 	C37H68N8O11S2	864.4449	NA	PeJP	NA	NA
+PJ058282	SSTTKRW 	C37H60N12O12	864.4454	NA	PeJP	NA	NA
+PJ058283	PNHRRW 	C38H56N16O8	864.4467	NA	PeJP	NA	NA
+PJ058284	GGPHRRW 	C38H56N16O8	864.4468	NA	PeJP	NA	NA
+PJ058285	SSKKEMR 	C34H64N12O12S	864.4488	NA	PeJP	NA	NA
+PJ058286	VLERYW 	C42H60N10O10	864.4494	NA	PeJP	NA	NA
+PJ058287	CQFRRR 	C35H60N16O8S	864.4501	NA	PeJP	NA	NA
+MJ096473	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[3-O-Acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C45H68O16	864.450736	NA	MeJP	NA	NA
+MJ096474	Spirost-5-ene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-3,4,6-tri-O-acetyl-?-D-galactopyranoside] 	C45H68O16	864.450736	NA	MeJP	NA	NA
+PJ058288	ATTKKMW 	C39H64N10O10S	864.4528	NA	PeJP	NA	NA
+PJ058289	VVLYWW 	C47H60N8O8	864.4534	NA	PeJP	NA	NA
+PJ058290	GPVLFFW 	C47H60N8O8	864.4535	NA	PeJP	NA	NA
+PJ058291	SSSSLKKE 	C35H64N10O15	864.4553	NA	PeJP	NA	NA
+PJ058292	TTLLMMR 	C36H68N10O10S2	864.4562	NA	PeJP	NA	NA
+PJ058293	NKERRY 	C36H60N14O11	864.4566	NA	PeJP	NA	NA
+PJ058294	GGPPPERR 	C36H60N14O11	864.4567	NA	PeJP	NA	NA
+PJ058295	GVLLMFW 	C44H64N8O8S	864.4568	NA	PeJP	NA	NA
+PJ058296	ALLKEEY 	C40H64N8O13	864.4593	NA	PeJP	NA	NA
+PJ058297	SSTKMRR 	C33H64N14O11S	864.46	NA	PeJP	NA	NA
+PJ058298	PVLKMMF 	C41H68N8O8S2	864.4602	NA	PeJP	NA	NA
+PJ058299	VNKRYW 	C41H60N12O9	864.4607	NA	PeJP	NA	NA
+PJ058300	SSTTLLLM 	C37H68N8O13S	864.4627	NA	PeJP	NA	NA
+PJ058301	VLLKMMM 	C38H72N8O8S3	864.4636	NA	PeJP	NA	NA
+PJ058302	APCKKRY 	C38H64N12O9S	864.464	NA	PeJP	NA	NA
+PJ058303	AKKFWW 	C46H60N10O7	864.4647	NA	PeJP	NA	NA
+PJ058304	SSSSTLKR 	C34H64N12O14	864.4665	NA	PeJP	NA	NA
+PJ058305	ATKKMMR 	C35H68N12O9S2	864.4674	NA	PeJP	NA	NA
+PJ058306	SQRRRY 	C35H60N16O10	864.4679	NA	PeJP	NA	NA
+PJ058307	LLMFRW 	C43H64N10O7S	864.4681	NA	PeJP	NA	NA
+PJ058308	TTTTKKW 	C39H64N10O12	864.4705	NA	PeJP	NA	NA
+PJ058309	VVVTERY 	C39H64N10O12	864.4706	NA	PeJP	NA	NA
+PJ058310	GKRRYW 	C40H60N14O8	864.4719	NA	PeJP	NA	NA
+PJ058311	TTKKKEM 	C36H68N10O12S	864.4739	NA	PeJP	NA	NA
+PJ058312	GTLLLYW 	C44H64N8O10	864.4746	NA	PeJP	NA	NA
+PJ058313	QKMFRR 	C37H64N14O8S	864.4753	NA	PeJP	NA	NA
+PJ058314	PTLLKMY 	C41H68N8O10S	864.4779	NA	PeJP	NA	NA
+PJ058315	GGVLLLMY 	C41H68N8O10S	864.478	NA	PeJP	NA	NA
+PJ058316	GSPHRRR 	C34H60N18O9	864.4791	NA	PeJP	NA	NA
+PJ058317	AAKKERY 	C38H64N12O11	864.4818	NA	PeJP	NA	NA
+PJ058318	LHHFRR 	C39H60N16O7	864.4831	NA	PeJP	NA	NA
+PJ058319	TTTKKMR 	C35H68N12O11S	864.4852	NA	PeJP	NA	NA
+PJ058320	LQKKYW 	C43H64N10O9	864.4858	NA	PeJP	NA	NA
+PJ058321	CKFRRR 	C36H64N16O7S	864.4865	NA	PeJP	NA	NA
+PJ058322	GLLLMRY 	C40H68N10O9S	864.4892	NA	PeJP	NA	NA
+PJ058323	SSTTTLKK 	C36H68N10O14	864.4917	NA	PeJP	NA	NA
+PJ058324	SLKKKMM 	C37H72N10O9S2	864.4926	NA	PeJP	NA	NA
+PJ058325	DKKRRY 	C37H64N14O10	864.493	NA	PeJP	NA	NA
+PJ058326	SLLLKEY 	C41H68N8O12	864.4957	NA	PeJP	NA	NA
+PJ058327	TKKFRW 	C42H64N12O8	864.497	NA	PeJP	NA	NA
+PJ058328	GPLKKHW 	C42H64N12O8	864.4971	NA	PeJP	NA	NA
+PJ058329	GVKKMFR 	C39H68N12O8S	864.5004	NA	PeJP	NA	NA
+PJ058330	CCKKKKK 	C36H72N12O8S2	864.5038	NA	PeJP	NA	NA
+PJ058331	SKRRRY 	C36H64N16O9	864.5043	NA	PeJP	NA	NA
+PJ058332	STLLLRY 	C40H68N10O11	864.5069	NA	PeJP	NA	NA
+PJ058333	GALLLLEH 	C40H68N10O11	864.507	NA	PeJP	NA	NA
+PJ058334	PVVLKFY 	C45H68N8O9	864.511	NA	PeJP	NA	NA
+PJ058335	KKMFRR 	C38H68N14O7S	864.5117	NA	PeJP	NA	NA
+PJ058336	VVLLKMY 	C42H72N8O9S	864.5143	NA	PeJP	NA	NA
+PJ058337	LQHRRR 	C35H64N18O8	864.5155	NA	PeJP	NA	NA
+PJ058338	GTLKKRY 	C39H68N12O10	864.5182	NA	PeJP	NA	NA
+PJ058339	LKKKYW 	C44H68N10O8	864.5222	NA	PeJP	NA	NA
+PJ058340	ALKKKMF 	C41H72N10O8S	864.5256	NA	PeJP	NA	NA
+PJ058341	PPVLQRR 	C38H68N14O9	864.5294	NA	PeJP	NA	NA
+PJ058342	APPLLLLE 	C42H72N8O11	864.5321	NA	PeJP	NA	NA
+MJ096475	Huratoxin; 12?-Acetoxy, 20-(5-pentadecenoyl) (E-) 	C51H76O11	864.538763	NA	MeJP	NA	NA
+PJ058343	AVVKHRR 	C37H68N16O8	864.5406	NA	PeJP	NA	NA
+PJ058344	APPLRRR 	C37H68N16O8	864.5407	NA	PeJP	NA	NA
+3231	bombolitin V from venom of bumble bee (Megabombus	INVLGILGLLGKALSHL~	864.54145	MH2+	Inhouse_peptide	NA	peptide
+PJ058345	SVLKKKY 	C41H72N10O10	864.5433	NA	PeJP	NA	NA
+PJ058346	VVLLKFF 	C46H72N8O8	864.5473	NA	PeJP	NA	NA
+PJ058347	LKHRRR 	C36H68N18O7	864.5519	NA	PeJP	NA	NA
+PJ058348	TLLLLHR 	C40H72N12O9	864.5546	NA	PeJP	NA	NA
+PJ058349	PPVLKRR 	C39H72N14O8	864.5658	NA	PeJP	NA	NA
+PJ058350	SPPLLLLL 	C43H76N8O10	864.5685	NA	PeJP	NA	NA
+PJ058351	GPPLLLKK 	C42H76N10O9	864.5797	NA	PeJP	NA	NA
+MJ096476	Lutoside 	C45H84O15	864.581022	NA	MeJP	NA	NA
+PJ058352	VLLKKKH 	C41H76N12O8	864.591	NA	PeJP	NA	NA
+PJ058353	APLLLLLL 	C44H80N8O9	864.6049	NA	PeJP	NA	NA
+HMDB06288	all trans Decaprenyl diphosphate	C50H90O7P2	864.61615	http://www.hmdb.ca/metabolites/HMDB06288	HMDB	NA	NA
+HMDB06288	all trans Decaprenyl diphosphate	C50H90O7P2	864.61615	HMDB06288	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06288	All trans decaprenyl diphosphate	C50H90O7P2	864.61615	NA	HMDB2010	NA	NA
+MJ096477	Coenzyme Q; Coenzyme Q10, 38',39'-Dihydro 	C59H92O4	864.699561	NA	MeJP	NA	NA
+MJ096478	20(29)-Lupen-3-ol, 3,5-Diacetoxydocosanoyl 	C56H96O6	864.72069	NA	MeJP	NA	NA
+MJ096479	Pseudoceratinine C 	C27H31Br4N7O6	864.906932	NA	MeJP	NA	NA
+5418	murine lactoferrin LFM	EKCLRWQNEMRKVGG	864.94415	MH2+	Inhouse_peptide	NA	peptide
+MJ096480	Geraniin; 1-O-Degalloyl, 1-O-(2-cyano-2-propenyl) 	C38H27NO23	865.097386	NA	MeJP	NA	NA
+PJ058354	CCCCCCND 	C26H43N9O12S6	865.1356	NA	PeJP	NA	NA
+HMDB01157	2-Methylacetoacetyl-CoA	C26H42N7O18P3S	865.151978	NA	HMDB2010	NA	NA
+HMDB01157	2-Methylacetoacetyl-CoA	C26H42N7O18P3S	865.15198	http://www.hmdb.ca/metabolites/HMDB01157	HMDB	NA	NA
+HMDB01157	2-Methylacetoacetyl-CoA	C26H42N7O18P3S	865.15198	HMDB01157	PFEM_hmdb_metabocards_official	NA	NA
+MJ096481	2-Methylacetoacetyl-CoA 	C26H42N7O18P3S	865.151987	NA	MeJP	NA	NA
+MetaCyc04207	2-methylacetoacetyl-CoA [2-methyl-3-acetoacetyl-CoA;2-methylacetoacetyl coenzyme A;]	C26H42N7O18P3S1	865.151988	01/02/6712	metacyc	NA	NA
+C03344	2-Methylacetoacetyl-CoA	C26H42N7O18P3S	865.152	NA	KEGG	NA	NA
+MJ096482	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate 	C27H41N5O23P2	865.166755	NA	MeJP	NA	NA
+PJ058355	SCCCCCNM 	C27H47N9O11S6	865.172	NA	PeJP	NA	NA
+HMDB02845	Hexanoyl-CoA	C27H46N7O17P3S	865.18835	http://www.hmdb.ca/metabolites/HMDB02845	HMDB	NA	NA
+HMDB02845	Hexanoyl-CoA	C27H46N7O17P3S	865.18835	HMDB02845	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02845	Hexanoyl-CoA	C27H46N7O17P3S	865.188354	NA	HMDB2010	NA	NA
+C05270	Hexanoyl-CoA	C27H46N7O17P3S	865.1884	NA	KEGG	NA	NA
+PJ058356	GSSTCCCCC 	C27H47N9O13S5	865.1897	NA	PeJP	NA	NA
+PJ058357	GCCCCCQF 	C31H47N9O10S5	865.205	NA	PeJP	NA	NA
+PJ058358	SSSSSCCCC 	C27H47N9O15S4	865.2075	NA	PeJP	NA	NA
+PJ058359	TCCCCCCK 	C28H51N9O10S6	865.2084	NA	PeJP	NA	NA
+PJ058360	CCCDEMY 	C32H47N7O13S4	865.2115	NA	PeJP	NA	NA
+PJ058361	GCCCNDDH 	C29H43N11O14S3	865.2154	NA	PeJP	NA	NA
+PJ058362	GSCCCCQY 	C31H47N9O12S4	865.2227	NA	PeJP	NA	NA
+PJ058363	CCCEMMF 	C33H51N7O10S5	865.2301	NA	PeJP	NA	NA
+PJ058364	SPCCCCNH 	C30H47N11O11S4	865.234	NA	PeJP	NA	NA
+PJ058365	SSSCCCNY 	C31H47N9O14S3	865.2405	NA	PeJP	NA	NA
+PJ058366	GCCCCCKF 	C32H51N9O9S5	865.2414	NA	PeJP	NA	NA
+PJ058367	PCCCDYY 	C36H47N7O12S3	865.2445	NA	PeJP	NA	NA
+PJ058368	DDDDEEE 	C31H43N7O22	865.2462	NA	PeJP	NA	NA
+PJ058369	SCCEMMY 	C33H51N7O12S4	865.2479	NA	PeJP	NA	NA
+PJ058370	GCNNNDDD 	C29H43N11O18S	865.2509	NA	PeJP	NA	NA
+PJ058371	GSCCNDMH 	C30H47N11O13S3	865.2517	NA	PeJP	NA	NA
+PJ058372	CDDDDHF 	C34H43N9O16S	865.2549	NA	PeJP	NA	NA
+PJ058373	CCCNNFY 	C35H47N9O11S3	865.2557	NA	PeJP	NA	NA
+PJ058374	GGCCCNFY 	C35H47N9O11S3	865.2558	NA	PeJP	NA	NA
+PJ058375	GSNDDDDE 	C30H43N9O21	865.2574	NA	PeJP	NA	NA
+PJ058376	GPCNDDDM 	C31H47N9O16S2	865.2583	NA	PeJP	NA	NA
+PJ058377	GSCCCCKY 	C32H51N9O11S4	865.2591	NA	PeJP	NA	NA
+PJ058378	CCDDHHH 	C32H43N13O12S2	865.2596	NA	PeJP	NA	NA
+PJ058379	GCDDMYY 	C36H47N7O14S2	865.2623	NA	PeJP	NA	NA
+PJ058380	PCCCMFY 	C37H51N7O9S4	865.2631	NA	PeJP	NA	NA
+PJ058381	GCMMMMY 	C34H55N7O9S5	865.2665	NA	PeJP	NA	NA
+PJ058382	SCCCQHW 	C34H47N11O10S3	865.267	NA	PeJP	NA	NA
+PJ058383	SSSCCNEH 	C30H47N11O15S2	865.2695	NA	PeJP	NA	NA
+PJ058384	CCNQMMH 	C31H51N11O10S4	865.2704	NA	PeJP	NA	NA
+PJ058385	SNDDDDW 	C34H43N9O18	865.2726	NA	PeJP	NA	NA
+PJ058386	GGSDDDDW 	C34H43N9O18	865.2727	NA	PeJP	NA	NA
+PJ058387	PCCNDEW 	C35H47N9O13S2	865.2735	NA	PeJP	NA	NA
+PJ058388	NNDDEEM 	C31H47N9O18S	865.276	NA	PeJP	NA	NA
+PJ058389	SDDMMMH 	C32H51N9O13S3	865.2769	NA	PeJP	NA	NA
+PJ058390	CCEYYW 	C40H47N7O11S2	865.2775	NA	PeJP	NA	NA
+PJ058391	SSCDEYY 	C36H47N7O16S	865.28	NA	PeJP	NA	NA
+PJ058392	GCCNNNNQ 	C29H47N13O14S2	865.2807	NA	PeJP	NA	NA
+PJ058393	GGGGGGGGGCCQ 	C29H47N13O14S2	865.2808	NA	PeJP	NA	NA
+PJ058394	SPCCMYY 	C37H51N7O11S3	865.2809	NA	PeJP	NA	NA
+PJ058395	CCCNMHR 	C30H51N13O9S4	865.2816	NA	PeJP	NA	NA
+PJ058396	SDEEEEE 	C32H47N7O21	865.2825	NA	PeJP	NA	NA
+PJ058397	PDDEEMM 	C33H51N7O16S2	865.2834	NA	PeJP	NA	NA
+PJ058398	STCMMMY 	C34H55N7O11S4	865.2843	NA	PeJP	NA	NA
+PJ058399	GSSSCCHW 	C34H47N11O12S2	865.2847	NA	PeJP	NA	NA
+PJ058400	GGCCNEHF 	C34H47N11O12S2	865.2848	NA	PeJP	NA	NA
+PJ058401	GSSSSSCDH 	C30H47N11O17S	865.2872	NA	PeJP	NA	NA
+PJ058402	CNDDDER 	C30H47N11O17S	865.2873	NA	PeJP	NA	NA
+PJ058403	GSSCNMMH 	C31H51N11O12S3	865.2881	NA	PeJP	NA	NA
+PJ058404	GPCCDWW 	C39H47N9O10S2	865.2888	NA	PeJP	NA	NA
+PJ058405	GNDDEMW 	C35H47N9O15S	865.2913	NA	PeJP	NA	NA
+PJ058406	GPPTCCCW 	C36H51N9O10S3	865.2921	NA	PeJP	NA	NA
+PJ058407	GSSNDEEE 	C31H47N9O20	865.2938	NA	PeJP	NA	NA
+PJ058408	GSPNDDMM 	C32H51N9O15S2	865.2946	NA	PeJP	NA	NA
+PJ058409	GGGSPDDMM 	C32H51N9O15S2	865.2947	NA	PeJP	NA	NA
+PJ058410	NNDDDHH 	C32H43N13O16	865.2951	NA	PeJP	NA	NA
+PJ058411	GCDDFFY 	C40H47N7O13S	865.2953	NA	PeJP	NA	NA
+PJ058412	GEMMMMH 	C33H55N9O10S4	865.2955	NA	PeJP	NA	NA
+PJ058413	SCDMHHH 	C33H47N13O11S2	865.296	NA	PeJP	NA	NA
+PJ058414	PCCCFFF 	C41H51N7O8S3	865.2962	NA	PeJP	NA	NA
+PJ058415	PDDDEEF 	C36H47N7O18	865.2978	NA	PeJP	NA	NA
+PJ058416	SSCNNNNN 	C29H47N13O16S	865.2985	NA	PeJP	NA	NA
+PJ058417	GSDMMYY 	C37H51N7O13S2	865.2987	NA	PeJP	NA	NA
+PJ058418	GSTCCCHR 	C30H51N13O11S3	865.2994	NA	PeJP	NA	NA
+PJ058419	GCMMMFF 	C38H55N7O8S4	865.2995	NA	PeJP	NA	NA
+PJ058420	GCCNHFW 	C38H47N11O9S2	865.3	NA	PeJP	NA	NA
+PJ058421	AEEEEEM 	C33H51N7O18S	865.3012	NA	PeJP	NA	NA
+PJ058422	GCDDDRW 	C34H47N11O14S	865.3025	NA	PeJP	NA	NA
+PJ058423	SCCCKHW 	C35H51N11O9S3	865.3034	NA	PeJP	NA	NA
+PJ058424	GSSDDDDR 	C30H47N11O19	865.305	NA	PeJP	NA	NA
+PJ058425	GSPCCDER 	C31H51N11O14S2	865.3059	NA	PeJP	NA	NA
+PJ058426	NDDMWW 	C39H47N9O12S	865.3065	NA	PeJP	NA	NA
+PJ058427	CCNKMMH 	C32H55N11O9S4	865.3067	NA	PeJP	NA	NA
+PJ058428	GPPCCCMR 	C32H55N11O9S4	865.3068	NA	PeJP	NA	NA
+PJ058429	SSNDEEW 	C35H47N9O17	865.309	NA	PeJP	NA	NA
+PJ058430	SPCNEMW 	C36H51N9O12S2	865.3099	NA	PeJP	NA	NA
+PJ058431	MMMMHW 	C37H55N9O7S4	865.3108	NA	PeJP	NA	NA
+PJ058432	SNQEEEM 	C32H51N9O17S	865.3124	NA	PeJP	NA	NA
+PJ058433	NDEYYY 	C40H47N7O15	865.313	NA	PeJP	NA	NA
+PJ058434	STEMMMH 	C33H55N9O12S3	865.3133	NA	PeJP	NA	NA
+PJ058435	GSPCNDHH 	C33H47N13O13S	865.3137	NA	PeJP	NA	NA
+PJ058436	GGGSPCDHH 	C33H47N13O13S	865.3138	NA	PeJP	NA	NA
+PJ058437	TCMYYW 	C41H51N7O10S2	865.3139	NA	PeJP	NA	NA
+PJ058438	ACMMHHH 	C34H51N13O8S3	865.3146	NA	PeJP	NA	NA
+MJ096483	Cassinine 	C44H51NO17	865.315699	NA	MeJP	NA	NA
+C09934	Cassinine	C44H51NO17	865.3157	NA	KEGG	NA	NA
+PJ058439	SSSEMYY 	C37H51N7O15S	865.3164	NA	PeJP	NA	NA
+PJ058440	SSSSCCHR 	C30H51N13O13S2	865.3171	NA	PeJP	NA	NA
+PJ058441	QMMMYY 	C38H55N7O10S3	865.3173	NA	PeJP	NA	NA
+PJ058442	GSCNNWW 	C38H47N11O11S	865.3178	NA	PeJP	NA	NA
+PJ058443	TTEEEEE 	C33H51N7O20	865.3189	NA	PeJP	NA	NA
+PJ058444	PTEEEMM 	C34H55N7O15S2	865.3198	NA	PeJP	NA	NA
+PJ058445	GSSSNNDW 	C34H47N11O16	865.3203	NA	PeJP	NA	NA
+PJ058446	PPEMMMM 	C35H59N7O10S4	865.3207	NA	PeJP	NA	NA
+PJ058447	SPCCDRW 	C35H51N11O11S2	865.3211	NA	PeJP	NA	NA
+PJ058448	GGGGGGGMMW 	C35H51N11O11S2	865.3212	NA	PeJP	NA	NA
+PJ058449	GCEWWW 	C43H47N9O9S	865.3218	NA	PeJP	NA	NA
+PJ058450	SNDDEMR 	C31H51N11O16S	865.3236	NA	PeJP	NA	NA
+PJ058451	GGGGGGGSTEM 	C31H51N11O16S	865.3237	NA	PeJP	NA	NA
+PJ058452	GSSDEWW 	C39H47N9O14	865.3243	NA	PeJP	NA	NA
+PJ058453	PCNDMMR 	C32H55N11O11S3	865.3245	NA	PeJP	NA	NA
+PJ058454	CNNNQHH 	C32H47N15O12S	865.325	NA	PeJP	NA	NA
+PJ058455	APTCCWW 	C40H51N9O9S2	865.3251	NA	PeJP	NA	NA
+PJ058456	GSPCMWW 	C40H51N9O9S2	865.3252	NA	PeJP	NA	NA
+PJ058457	ATCQEEW 	C36H51N9O14S	865.3276	NA	PeJP	NA	NA
+PJ058458	GSQEEMW 	C36H51N9O14S	865.3277	NA	PeJP	NA	NA
+PJ058459	GDYYYW 	C44H47N7O12	865.3283	NA	PeJP	NA	NA
+PJ058460	GPNMMMW 	C37H55N9O9S3	865.3285	NA	PeJP	NA	NA
+PJ058461	GCEHHHF 	C37H47N13O10S	865.329	NA	PeJP	NA	NA
+PJ058462	ASSSQEEE 	C32H51N9O19	865.3301	NA	PeJP	NA	NA
+PJ058463	GSSTQEEE 	C32H51N9O19	865.3302	NA	PeJP	NA	NA
+PJ058464	AQQEEMM 	C33H55N9O14S2	865.331	NA	PeJP	NA	NA
+PJ058465	NNNNNNY 	C33H47N13O15	865.3315	NA	PeJP	NA	NA
+PJ058466	GPTCYYY 	C41H51N7O12S	865.3317	NA	PeJP	NA	NA
+PJ058467	SVMMMMH 	C34H59N9O9S4	865.3319	NA	PeJP	NA	NA
+PJ058468	GCCNQRW 	C34H51N13O10S2	865.3324	NA	PeJP	NA	NA
+PJ058469	APEEEEY 	C37H51N7O17	865.3342	NA	PeJP	NA	NA
+PJ058470	SCDDDRR 	C30H51N13O15S	865.3349	NA	PeJP	NA	NA
+PJ058471	GTTMMYY 	C38H55N7O12S2	865.335	NA	PeJP	NA	NA
+PJ058472	PPDEMMF 	C38H55N7O12S2	865.3351	NA	PeJP	NA	NA
+PJ058473	GNNNDFW 	C38H47N11O13	865.3355	NA	PeJP	NA	NA
+PJ058474	PCCCERR 	C31H55N13O10S3	865.3357	NA	PeJP	NA	NA
+PJ058475	CWWWW 	C47H47N9O6S	865.337	NA	PeJP	NA	NA
+PJ058476	SLEEEEM 	C34H55N7O17S	865.3376	NA	PeJP	NA	NA
+PJ058477	PVEEMMM 	C35H59N7O12S3	865.3384	NA	PeJP	NA	NA
+PJ058478	GSDDMRW 	C35H51N11O13S	865.3389	NA	PeJP	NA	NA
+PJ058479	SSDWWW 	C43H47N9O11	865.3395	NA	PeJP	NA	NA
+PJ058480	APCCMRW 	C36H55N11O8S3	865.3398	NA	PeJP	NA	NA
+PJ058481	GSSSDEER 	C31H51N11O18	865.3414	NA	PeJP	NA	NA
+PJ058482	SNQQQMM 	C32H55N11O13S2	865.3422	NA	PeJP	NA	NA
+PJ058483	GNEEMMR 	C32H55N11O13S2	865.3423	NA	PeJP	NA	NA
+PJ058484	GSSNNNHH 	C32H47N15O14	865.3427	NA	PeJP	NA	NA
+PJ058485	GGGGGGGSSHH 	C32H47N15O14	865.3428	NA	PeJP	NA	NA
+PJ058486	SQEMWW 	C40H51N9O11S	865.3429	NA	PeJP	NA	NA
+PJ058487	PCCNHHR 	C33H51N15O9S2	865.3436	NA	PeJP	NA	NA
+PJ058488	CHHHFW 	C41H47N13O7S	865.3443	NA	PeJP	NA	NA
+PJ058489	SSTQEEW 	C36H51N9O16	865.3454	NA	PeJP	NA	NA
+PJ058490	AAQEMMW 	C37H55N9O11S2	865.3463	NA	PeJP	NA	NA
+PJ058491	GSNEHHW 	C37H47N13O12	865.3468	NA	PeJP	NA	NA
+PJ058492	GMFYYW 	C45H51N7O9S	865.3469	NA	PeJP	NA	NA
+3512	ACE inhibitor (as1-CN 157-164)	DAYPSGAW	865.3479	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ058493	SNKEEEM 	C33H55N9O16S	865.3488	NA	PeJP	NA	NA
+PJ058494	TQEYYY 	C41H51N7O14	865.3494	NA	PeJP	NA	NA
+PJ058495	PTQQMMM 	C34H59N9O11S3	865.3496	NA	PeJP	NA	NA
+PJ058496	PNDKMMM 	C34H59N9O11S3	865.3497	NA	PeJP	NA	NA
+PJ058497	SSCNNRW 	C34H51N13O12S	865.3501	NA	PeJP	NA	NA
+PJ058498	GGGGGGAPPCH 	C34H51N13O12S	865.3502	NA	PeJP	NA	NA
+PJ058499	QMMFFY 	C42H55N7O9S2	865.3503	NA	PeJP	NA	NA
+PJ058500	SSSSNNDR 	C30H51N13O17	865.3526	NA	PeJP	NA	NA
+PJ058501	STTTMYY 	C38H55N7O14S	865.3528	NA	PeJP	NA	NA
+PJ058502	GCDEMRR 	C31H55N13O12S2	865.3535	NA	PeJP	NA	NA
+PJ058503	KMMMYY 	C39H59N7O9S3	865.3537	NA	PeJP	NA	NA
+PJ058504	SCERWW 	C39H51N11O10S	865.3541	NA	PeJP	NA	NA
+PJ058505	GGGNMHFF 	C39H51N11O10S	865.3542	NA	PeJP	NA	NA
+PJ058506	VVEEEMM 	C35H59N7O14S2	865.3562	NA	PeJP	NA	NA
+PJ058507	SSSDERW 	C35H51N11O15	865.3566	NA	PeJP	NA	NA
+PJ058508	GGGGGSSTTW 	C35H51N11O15	865.3567	NA	PeJP	NA	NA
+PJ058509	NEMMRW 	C36H55N11O10S2	865.3575	NA	PeJP	NA	NA
+PJ058510	SPDHHHH 	C36H47N15O11	865.358	NA	PeJP	NA	NA
+PJ058511	GTMWWW 	C44H51N9O8S	865.3582	NA	PeJP	NA	NA
+PJ058512	SSQEEMR 	C32H55N11O15S	865.36	NA	PeJP	NA	NA
+PJ058513	GSTTEWW 	C40H51N9O13	865.3607	NA	PeJP	NA	NA
+PJ058514	SPNMMMR 	C33H59N11O10S3	865.3609	NA	PeJP	NA	NA
+PJ058515	GNDMHHR 	C33H51N15O11S	865.3614	NA	PeJP	NA	NA
+PJ058516	VNMMWW 	C41H55N9O8S2	865.3615	NA	PeJP	NA	NA
+PJ058517	SNHHWW 	C41H47N13O9	865.362	NA	PeJP	NA	NA
+PJ058518	GSKEEMW 	C37H55N9O13S	865.364	NA	PeJP	NA	NA
+PJ058519	GGGGPVEMY 	C37H55N9O13S	865.3641	NA	PeJP	NA	NA
+PJ058520	ATYYYW 	C45H51N7O11	865.3647	NA	PeJP	NA	NA
+PJ058521	APCKMMW 	C38H59N9O8S3	865.3649	NA	PeJP	NA	NA
+PJ058522	QQMHHW 	C38H51N13O9S	865.3654	NA	PeJP	NA	NA
+PJ058523	GSSTKEEE 	C33H55N9O18	865.3665	NA	PeJP	NA	NA
+PJ058524	AQKEEMM 	C34H59N9O13S2	865.3674	NA	PeJP	NA	NA
+PJ058525	GNNNERY 	C34H51N13O14	865.3679	NA	PeJP	NA	NA
+PJ058526	VQMYYY 	C42H55N7O11S	865.368	NA	PeJP	NA	NA
+PJ058527	GGLMYYY 	C42H55N7O11S	865.3681	NA	PeJP	NA	NA
+PJ058528	GCCNKRW 	C35H55N13O9S2	865.3687	NA	PeJP	NA	NA
+PJ058529	CDMRRW 	C35H55N13O9S2	865.3688	NA	PeJP	NA	NA
+PJ058530	GNQHHHH 	C35H47N17O10	865.3692	NA	PeJP	NA	NA
+PJ058531	SPLEEEY 	C38H55N7O16	865.3706	NA	PeJP	NA	NA
+PJ058532	GSSSNQMR 	C31H55N13O14S	865.3712	NA	PeJP	NA	NA
+PJ058533	SSDDMRR 	C31H55N13O14S	865.3713	NA	PeJP	NA	NA
+PJ058534	PPVEMMY 	C39H59N7O11S2	865.3714	NA	PeJP	NA	NA
+PJ058535	NQQQYW 	C39H51N11O12	865.3719	NA	PeJP	NA	NA
+PJ058536	PTCCMRR 	C32H59N13O9S3	865.3721	NA	PeJP	NA	NA
+PJ058537	GMMRWW 	C40H55N11O7S2	865.3728	NA	PeJP	NA	NA
+PJ058538	GSTEMRW 	C36H55N11O12S	865.3753	NA	PeJP	NA	NA
+PJ058539	STTWWW 	C44H51N9O10	865.3759	NA	PeJP	NA	NA
+PJ058540	CQHHRW 	C37H51N15O8S	865.3766	NA	PeJP	NA	NA
+PJ058541	GSSTTEER 	C32H55N11O17	865.3778	NA	PeJP	NA	NA
+PJ058542	GDKEMMR 	C33H59N11O12S2	865.3786	NA	PeJP	NA	NA
+PJ058543	GAATEMMR 	C33H59N11O12S2	865.3787	NA	PeJP	NA	NA
+PJ058544	SSNEHHR 	C33H51N15O13	865.3791	NA	PeJP	NA	NA
+PJ058545	SKEMWW 	C41H55N9O10S	865.3793	NA	PeJP	NA	NA
+PJ058546	GFFFYW 	C49H51N7O8	865.3799	NA	PeJP	NA	NA
+PJ058547	SSTKEEW 	C37H55N9O15	865.3818	NA	PeJP	NA	NA
+PJ058548	GSSSCNRR 	C30H55N15O13S	865.3825	NA	PeJP	NA	NA
+PJ058549	AAKEMMW 	C38H59N9O10S2	865.3827	NA	PeJP	NA	NA
+PJ058550	NNNRYW 	C38H51N13O11	865.3831	NA	PeJP	NA	NA
+PJ058551	GGGGGGRYW 	C38H51N13O11	865.3832	NA	PeJP	NA	NA
+PJ058552	QMFFFF 	C46H55N7O8S	865.3833	NA	PeJP	NA	NA
+PJ058553	SDKKEEM 	C34H59N9O15S	865.3852	NA	PeJP	NA	NA
+PJ058554	TKEYYY 	C42H55N7O13	865.3858	NA	PeJP	NA	NA
+PJ058555	PTQKMMM 	C35H63N9O10S3	865.386	NA	PeJP	NA	NA
+PJ058556	GGGGLLMMM 	C35H63N9O10S3	865.3861	NA	PeJP	NA	NA
+PJ058557	GPCDRRY 	C35H55N13O11S	865.3865	NA	PeJP	NA	NA
+PJ058558	KMMFFY 	C43H59N7O8S2	865.3867	NA	PeJP	NA	NA
+PJ058559	GDFRWW 	C43H51N11O9	865.3872	NA	PeJP	NA	NA
+PJ058560	SSSSSQQR 	C31H55N13O16	865.389	NA	PeJP	NA	NA
+PJ058561	PVVEEMY 	C39H59N7O13S	865.3892	NA	PeJP	NA	NA
+PJ058562	GSEMMRR 	C32H59N13O11S2	865.3899	NA	PeJP	NA	NA
+PJ058563	PPLMMMF 	C40H63N7O8S3	865.3901	NA	PeJP	NA	NA
+PJ058564	STMRWW 	C40H55N11O9S	865.3905	NA	PeJP	NA	NA
+PJ058565	AAFWWW 	C48H51N9O7	865.3912	NA	PeJP	NA	NA
+PJ058566	TLLEEMM 	C36H63N7O13S2	865.3926	NA	PeJP	NA	NA
+PJ058567	SSTTERW 	C36H55N11O14	865.393	NA	PeJP	NA	NA
+PJ058568	GGGGGGVDKY 	C36H55N11O14	865.3931	NA	PeJP	NA	NA
+PJ058569	PLLMMMM 	C37H67N7O8S4	865.3934	NA	PeJP	NA	NA
+PJ058570	DKMMRW 	C37H59N11O9S2	865.3939	NA	PeJP	NA	NA
+PJ058571	GSSHHRW 	C37H51N15O10	865.3944	NA	PeJP	NA	NA
+PJ058572	PCKFWW 	C45H55N9O7S	865.3946	NA	PeJP	NA	NA
+PJ058573	SSKEEMR 	C33H59N11O14S	865.3964	NA	PeJP	NA	NA
+PJ058574	SSSTLWW 	C41H55N9O12	865.397	NA	PeJP	NA	NA
+PJ058575	GSPKEYW 	C41H55N9O12	865.3971	NA	PeJP	NA	NA
+PJ058576	GLQMMMR 	C34H63N11O9S3	865.3973	NA	PeJP	NA	NA
+PJ058577	GCNNFRR 	C34H55N15O10S	865.3977	NA	PeJP	NA	NA
+PJ058578	GGGCNFRR 	C34H55N15O10S	865.3978	NA	PeJP	NA	NA
+PJ058579	CLKMWW 	C42H59N9O7S2	865.3979	NA	PeJP	NA	NA
+PJ058580	AAHHHFF 	C42H51N13O8	865.3984	NA	PeJP	NA	NA
+PJ058581	ATTKEMW 	C38H59N9O12S	865.4004	NA	PeJP	NA	NA
+PJ058582	VQFFYY 	C46H55N7O10	865.4011	NA	PeJP	NA	NA
+PJ058583	APPCHRW 	C39H55N13O8S	865.4018	NA	PeJP	NA	NA
+PJ058584	SSSSLKEE 	C34H59N9O17	865.4029	NA	PeJP	NA	NA
+PJ058585	AKKEEMM 	C35H63N9O12S2	865.4038	NA	PeJP	NA	NA
+PJ058586	NEERRY 	C35H55N13O13	865.4043	NA	PeJP	NA	NA
+PJ058587	VKMYYY 	C43H59N7O10S	865.4044	NA	PeJP	NA	NA
+PJ058588	PPVEMFF 	C43H59N7O10S	865.4045	NA	PeJP	NA	NA
+PJ058589	SMMRRW 	C36H59N13O8S2	865.4051	NA	PeJP	NA	NA
+PJ058590	GNKHHHH 	C36H51N17O9	865.4056	NA	PeJP	NA	NA
+PJ058591	ALLEEEY 	C39H59N7O15	865.4069	NA	PeJP	NA	NA
+PJ058592	VVVEEEY 	C39H59N7O15	865.407	NA	PeJP	NA	NA
+PJ058593	SSTEMRR 	C32H59N13O13S	865.4076	NA	PeJP	NA	NA
+PJ058594	PVLEMMF 	C40H63N7O10S2	865.4078	NA	PeJP	NA	NA
+PJ058595	VNERYW 	C40H55N11O11	865.4083	NA	PeJP	NA	NA
+PJ058596	AAMMMRR 	C33H63N13O8S3	865.4085	NA	PeJP	NA	NA
+PJ058597	GTCHHRR 	C33H55N17O9S	865.409	NA	PeJP	NA	NA
+PJ058598	LHHHHW 	C41H51N15O7	865.4096	NA	PeJP	NA	NA
+PJ058599	VLLEMMM 	C37H67N7O10S3	865.4112	NA	PeJP	NA	NA
+PJ058600	SSSLMRW 	C37H59N11O11S	865.4116	NA	PeJP	NA	NA
+PJ058601	VTTTCRW 	C37H59N11O11S	865.4117	NA	PeJP	NA	NA
+PJ058602	SPKYWW 	C45H55N9O9	865.4123	NA	PeJP	NA	NA
+PJ058603	CKHHRW 	C38H55N15O7S	865.413	NA	PeJP	NA	NA
+PJ058604	SSSSTLER 	C33H59N11O16	865.4141	NA	PeJP	NA	NA
+PJ058605	GTTTTTER 	C33H59N11O16	865.4142	NA	PeJP	NA	NA
+PJ058606	ATKEMMR 	C34H63N11O11S2	865.415	NA	PeJP	NA	NA
+PJ058607	GSNNRRY 	C34H55N15O12	865.4155	NA	PeJP	NA	NA
+PJ058608	AAPKMYW 	C42H59N9O9S	865.4157	NA	PeJP	NA	NA
+PJ058609	TTTTKEW 	C38H59N9O14	865.4182	NA	PeJP	NA	NA
+PJ058610	ASLKMMW 	C39H63N9O9S2	865.419	NA	PeJP	NA	NA
+PJ058611	GTLKMMW 	C39H63N9O9S2	865.4191	NA	PeJP	NA	NA
+PJ058612	GERRYW 	C39H55N13O10	865.4195	NA	PeJP	NA	NA
+PJ058613	KMFFFF 	C47H59N7O7S	865.4197	NA	PeJP	NA	NA
+3974	ACE inhibitor	YGLVAGTW	865.42	ACE inhibitor	Inhouse_peptide	NA	peptide
+3798	NA	WWPKHN~	865.4209	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ058614	SPTTTTKM 	C35H63N9O14S	865.4215	NA	PeJP	NA	NA
+PJ058615	TTKKEEM 	C35H63N9O14S	865.4216	NA	PeJP	NA	NA
+PJ058616	PPVVEYY 	C43H59N7O12	865.4222	NA	PeJP	NA	NA
+PJ058617	PTKKMMM 	C36H67N9O9S3	865.4224	NA	PeJP	NA	NA
+PJ058618	GSPMRRY 	C36H59N13O10S	865.4229	NA	PeJP	NA	NA
+PJ058619	GVRYWW 	C44H55N11O8	865.4235	NA	PeJP	NA	NA
+PJ058620	GAPLHWW 	C44H55N11O8	865.4236	NA	PeJP	NA	NA
+PJ058621	SSSSSQKR 	C32H59N13O15	865.4254	NA	PeJP	NA	NA
+PJ058622	PTLLEMY 	C40H63N7O12S	865.4256	NA	PeJP	NA	NA
+PJ058623	ATTMMRR 	C33H63N13O10S2	865.4263	NA	PeJP	NA	NA
+PJ058624	SSSHHRR 	C33H55N17O11	865.4267	NA	PeJP	NA	NA
+PJ058625	VQMFRW 	C41H59N11O8S	865.4269	NA	PeJP	NA	NA
+PJ058626	TTTTTRW 	C37H59N11O13	865.4294	NA	PeJP	NA	NA
+PJ058627	ACCKKKW 	C38H63N11O8S2	865.4303	NA	PeJP	NA	NA
+PJ058628	PDHRRW 	C38H55N15O9	865.4308	NA	PeJP	NA	NA
+PJ058629	TTTKEMR 	C34H63N11O13S	865.4328	NA	PeJP	NA	NA
+PJ058630	LQKEYW 	C42H59N9O11	865.4334	NA	PeJP	NA	NA
+PJ058631	GAPPPLEW 	C42H59N9O11	865.4335	NA	PeJP	NA	NA
+PJ058632	GLKMMMR 	C35H67N11O8S3	865.4337	NA	PeJP	NA	NA
+PJ058633	CEFRRR 	C35H59N15O9S	865.4341	NA	PeJP	NA	NA
+PJ058634	RRYWW 	C43H55N13O7	865.4348	NA	PeJP	NA	NA
+PJ058635	STTLKMW 	C39H63N9O11S	865.4368	NA	PeJP	NA	NA
+MJ096484	Casoxin D 	C47H59N7O9	865.437426	NA	MeJP	NA	NA
+PJ058636	VKFFYY 	C47H59N7O9	865.4375	NA	PeJP	NA	NA
+PJ058637	AMFRRW 	C40H59N13O7S	865.4382	NA	PeJP	NA	NA
+PJ058638	SSTTTLKE 	C35H63N9O16	865.4393	NA	PeJP	NA	NA
+PJ058639	SLKKEMM 	C36H67N9O11S2	865.4402	NA	PeJP	NA	NA
+PJ058640	SSPTRRY 	C36H59N13O12	865.4406	NA	PeJP	NA	NA
+PJ058641	DKERRY 	C36H59N13O12	865.4407	NA	PeJP	NA	NA
+PJ058642	PPVLMFY 	C44H63N7O9S	865.4408	NA	PeJP	NA	NA
+PJ058643	NHHFRR 	C37H55N17O8	865.442	NA	PeJP	NA	NA
+PJ058644	SLLLEEY 	C40H63N7O14	865.4433	NA	PeJP	NA	NA
+PJ058645	TTTTMRR 	C33H63N13O12S	865.444	NA	PeJP	NA	NA
+PJ058646	PVLLMMY 	C41H67N7O9S2	865.4442	NA	PeJP	NA	NA
+PJ058647	VDKRYW 	C41H59N11O10	865.4447	NA	PeJP	NA	NA
+PJ058648	SSCKKKW 	C38H63N11O10S	865.448	NA	PeJP	NA	NA
+PJ058649	GGGLLMRY 	C38H63N11O10S	865.4481	NA	PeJP	NA	NA
+PJ058650	ALKYWW 	C46H59N9O8	865.4487	NA	PeJP	NA	NA
+PJ058651	SSTTTTLR 	C34H63N11O15	865.4505	NA	PeJP	NA	NA
+PJ058652	STLKMMR 	C35H67N11O10S2	865.4514	NA	PeJP	NA	NA
+PJ058653	SERRRY 	C35H59N15O11	865.4519	NA	PeJP	NA	NA
+PJ058654	AALKMFW 	C43H63N9O8S	865.4521	NA	PeJP	NA	NA
+PJ058655	GLKKEEY 	C39H63N9O13	865.4546	NA	PeJP	NA	NA
+PJ058656	PCLKKMF 	C40H67N9O8S2	865.4554	NA	PeJP	NA	NA
+PJ058657	SVRRYW 	C40H59N13O9	865.4559	NA	PeJP	NA	NA
+PJ058658	SSSTLLKM 	C36H67N9O13S	865.4579	NA	PeJP	NA	NA
+PJ058659	PPTLLYY 	C44H63N7O11	865.4586	NA	PeJP	NA	NA
+PJ058660	VVKKMMM 	C37H71N9O8S3	865.4588	NA	PeJP	NA	NA
+PJ058661	LQMRRY 	C37H63N13O9S	865.4593	NA	PeJP	NA	NA
+PJ058662	PLKHWW 	C45H59N11O7	865.4599	NA	PeJP	NA	NA
+PJ058663	SSSSSKKR 	C33H63N13O14	865.4618	NA	PeJP	NA	NA
+PJ058664	VVLLEMY 	C41H67N7O11S	865.462	NA	PeJP	NA	NA
+PJ058665	TCCKKKR 	C34H67N13O9S2	865.4627	NA	PeJP	NA	NA
+PJ058666	AAQQHRR 	C34H59N17O10	865.4631	NA	PeJP	NA	NA
+PJ058667	VKMFRW 	C42H63N11O7S	865.4633	NA	PeJP	NA	NA
+PJ058668	GTLKERY 	C38H63N11O12	865.4658	NA	PeJP	NA	NA
+PJ058669	AAKHHFR 	C39H59N15O8	865.4671	NA	PeJP	NA	NA
+PJ058670	GPPHFRR 	C39H59N15O8	865.4672	NA	PeJP	NA	NA
+PJ058671	GSSTKKKM 	C35H67N11O12S	865.4692	NA	PeJP	NA	NA
+PJ058672	LKKEYW 	C43H63N9O10	865.4698	NA	PeJP	NA	NA
+PJ058673	CLRRRY 	C36H63N15O8S	865.4705	NA	PeJP	NA	NA
+PJ058674	SPLKKMY 	C40H67N9O10S	865.4732	NA	PeJP	NA	NA
+PJ058675	PPVLFFF 	C48H63N7O8	865.4739	NA	PeJP	NA	NA
+PJ058676	NQHRRR 	C33H59N19O9	865.4744	NA	PeJP	NA	NA
+PJ058677	TTTTTTLK 	C36H67N9O15	865.4757	NA	PeJP	NA	NA
+PJ058678	GTTLRRY 	C37H63N13O11	865.477	NA	PeJP	NA	NA
+PJ058679	GAALLEHR 	C37H63N13O11	865.4771	NA	PeJP	NA	NA
+PJ058680	PVLLMFF 	C45H67N7O8S	865.4772	NA	PeJP	NA	NA
+PJ058681	VLLLMMF 	C42H71N7O8S2	865.4806	NA	PeJP	NA	NA
+PJ058682	TLKRYW 	C42H63N11O9	865.4811	NA	PeJP	NA	NA
+MJ096485	Antibiotic B 1371A 	C46H67N5O11	865.483708	NA	MeJP	NA	NA
+PJ058683	GVLKMRY 	C39H67N11O9S	865.4844	NA	PeJP	NA	NA
+PJ058684	SSSTTKKK 	C35H67N11O14	865.4869	NA	PeJP	NA	NA
+PJ058685	TCKKKKM 	C36H71N11O9S2	865.4878	NA	PeJP	NA	NA
+PJ058686	GVLEHRR 	C36H63N15O10	865.4883	NA	PeJP	NA	NA
+PJ058687	SVLKKEY 	C40H67N9O12	865.4909	NA	PeJP	NA	NA
+PJ058688	GATTLLKY 	C40H67N9O12	865.491	NA	PeJP	NA	NA
+PJ058689	AALLHRW 	C41H63N13O8	865.4923	NA	PeJP	NA	NA
+MJ096486	Anabaenopeptin T 	C45H67N7O10	865.494941	NA	MeJP	NA	NA
+PJ058690	PVVLLYY 	C45H67N7O10	865.495	NA	PeJP	NA	NA
+PJ058691	LKMRRY 	C38H67N13O8S	865.4957	NA	PeJP	NA	NA
+C15728	Chivosazole A	C49H71NO12	865.4976	NA	KEGG	NA	NA
+MJ096487	Chivosazole E; 2',3',20-Tri-Me ether 	C49H71NO12	865.497626	NA	MeJP	NA	NA
+PJ058692	TLLLLMY 	C42H71N7O10S	865.4983	NA	PeJP	NA	NA
+PJ058693	LEHRRR 	C35H63N17O9	865.4995	NA	PeJP	NA	NA
+PJ058694	SSLLKRY 	C39H67N11O11	865.5022	NA	PeJP	NA	NA
+PJ058695	VLHRRW 	C40H63N15O7	865.5035	NA	PeJP	NA	NA
+PJ058696	PPLLLQW 	C44H67N9O9	865.5062	NA	PeJP	NA	NA
+PJ058697	ALLKKMY 	C41H71N9O9S	865.5096	NA	PeJP	NA	NA
+PJ058698	NKHRRR 	C34H63N19O8	865.5107	NA	PeJP	NA	NA
+PJ058699	GGKHRRR 	C34H63N19O8	865.5108	NA	PeJP	NA	NA
+PJ058700	GSKKKRY 	C38H67N13O10	865.5134	NA	PeJP	NA	NA
+PJ058701	AVLLKHW 	C43H67N11O8	865.5174	NA	PeJP	NA	NA
+PJ058702	PPVVLRW 	C43H67N11O8	865.5175	NA	PeJP	NA	NA
+MJ096488	Concanamycin A 	C46H75NO14	865.518756	NA	MeJP	NA	NA
+C15761	Concanamycin A	C46H75NO14	865.5188	NA	KEGG	NA	NA
+PJ058703	GKKKKMF 	C40H71N11O8S	865.5208	NA	PeJP	NA	NA
+PJ058704	ATLLHRR 	C37H67N15O9	865.5247	NA	PeJP	NA	NA
+PJ058705	TTLLKKY 	C41H71N9O11	865.5273	NA	PeJP	NA	NA
+PJ058706	APPVLLKE 	C41H71N9O11	865.5274	NA	PeJP	NA	NA
+PJ058707	LKFFRR 	C42H67N13O7	865.5287	NA	PeJP	NA	NA
+PJ058708	VVLLLFY 	C46H71N7O9	865.5314	NA	PeJP	NA	NA
+PJ058709	GPPKRRR 	C36H67N17O8	865.5359	NA	PeJP	NA	NA
+PJ058710	ATKKKKY 	C40H71N11O10	865.5386	NA	PeJP	NA	NA
+PJ058711	PPLLLKW 	C45H71N9O8	865.5426	NA	PeJP	NA	NA
+PJ058712	SLLLKHR 	C39H71N13O9	865.5498	NA	PeJP	NA	NA
+PJ058713	AVKKKHR 	C38H71N15O8	865.561	NA	PeJP	NA	NA
+PJ058714	GLKKKHR 	C38H71N15O8	865.5611	NA	PeJP	NA	NA
+PJ058715	SPPVLLLK 	C42H75N9O10	865.5637	NA	PeJP	NA	NA
+PJ058716	AAPLLLLR 	C41H75N11O9	865.575	NA	PeJP	NA	NA
+EUR1008	PC 38:6 [M-H+acetate]-	C46H80NO8P	865.583257	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1008	PC 38:6 [M-H+acetate]-	C46H80NO8P	865.583257	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1008	PC 38:6 [M-H+acetate]-	C46H80NO8P	865.583257	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1008	PC 38:6 [M-H+acetate]-	C46H80NO8P	865.583257	masses lipides attendues	Inhousejuil11	NA	NA
+PJ058717	PVLLLRR 	C40H75N13O8	865.5862	NA	PeJP	NA	NA
+PJ058718	GPLLLLLK 	C43H79N9O9	865.6001	NA	PeJP	NA	NA
+HMDB08191	PC(18:3(6Z,9Z,12Z)/24:1(15Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08224	PC(18:3(9Z,12Z,15Z)/24:1(15Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08256	PC(18:4(6Z,9Z,12Z,15Z)/24:0)	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08285	PC(20:0/22:4(7Z,10Z,13Z,16Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08350	PC(20:2(11Z,14Z)/22:2(13Z,16Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08382	PC(20:3(5Z,8Z,11Z)/22:1(13Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08414	PC(20:3(8Z,11Z,14Z)/22:1(13Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08446	PC(20:4(5Z,8Z,11Z,14Z)/22:0)	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08479	PC(20:4(8Z,11Z,14Z,17Z)/22:0)	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08542	PC(22:0/20:4(5Z,8Z,11Z,14Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08543	PC(22:0/20:4(8Z,11Z,14Z,17Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08572	PC(22:1(13Z)/20:3(5Z,8Z,11Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08573	PC(22:1(13Z)/20:3(8Z,11Z,14Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08604	PC(22:2(13Z,16Z)/20:2(11Z,14Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08635	PC(22:4(7Z,10Z,13Z,16Z)/20:0)	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08766	PC(24:0/18:4(6Z,9Z,12Z,15Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08797	PC(24:1(15Z)/18:3(6Z,9Z,12Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+HMDB08798	PC(24:1(15Z)/18:3(9Z,12Z,15Z))	C50H92NO8P	865.656067	NA	HMDB2010	NA	NA
+MJ096489	6,6'-Bieckol; 2-O-(2,4,6-Trihydroxyphenyl) 	C42H26O21	866.096657	NA	MeJP	NA	NA
+PJ058719	CCCCCCDD 	C26H42N8O13S6	866.1196	NA	PeJP	NA	NA
+PJ058720	SCCCCCDM 	C27H46N8O12S6	866.156	NA	PeJP	NA	NA
+PJ058721	ACCCCCMM 	C28H50N8O9S7	866.1746	NA	PeJP	NA	NA
+PJ058722	GCCCCCEF 	C31H46N8O11S5	866.189	NA	PeJP	NA	NA
+MJ096490	3,3',4',5,5',7-Hexahydroxyflavylium(1+); Glycoside 	C41H39O21(+)	866.190558	NA	MeJP	NA	NA
+PJ058723	SSCCCCMM 	C28H50N8O11S6	866.1924	NA	PeJP	NA	NA
+PJ058724	GCCCDDDH 	C29H42N10O15S3	866.1994	NA	PeJP	NA	NA
+PJ058725	CCCCCFW 	C35H46N8O8S5	866.2042	NA	PeJP	NA	NA
+C10239	Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol	C45H38O18	866.2058	NA	KEGG	NA	NA
+C17624	Cinnamtannin A1	C45H38O18	866.2058	NA	KEGG	NA	NA
+MJ096491	3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(6?4)-3,3',4',5',7-pentahydroxyflavan 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MJ096492	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MJ096493	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MJ096494	3,3',4',7,8-Pentahydroxyflavan(5?6)-3,3',4',5,7-pentahydroxyflavan(8?5)-3,3',4',7,8-pentahydroxyflavan 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MJ096495	Dolabriproanthocyanidin 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MJ096496	[3,3',4',5,7-Pentahydroxyflavan(4?6)]2-3,3',4',5,7-pentahydroxyflavan 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MJ096497	[3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan 	C45H38O18	866.205814	NA	MeJP	NA	NA
+MetaCyc04208	2,3-cis-oligoproanthocyanidin []	C45H38O18	866.205814	NA	metacyc	NA	NA
+PJ058726	GSCCCCEY 	C31H46N8O13S4	866.2068	NA	PeJP	NA	NA
+PJ058727	SPCCCCDH 	C30H46N10O12S4	866.218	NA	PeJP	NA	NA
+PJ058728	SCCCCYW 	C35H46N8O10S4	866.222	NA	PeJP	NA	NA
+PJ058729	SSSCCCDY 	C31H46N8O15S3	866.2245	NA	PeJP	NA	NA
+PJ058730	CCCNMMY 	C32H50N8O10S5	866.2254	NA	PeJP	NA	NA
+MJ096498	Chamaejasmin, 7,7''-Di-O-?-D-glucopyranoside 	C42H42O20	866.226943	NA	MeJP	NA	NA
+PJ058731	GCCCCNQH 	C29H46N12O11S4	866.2292	NA	PeJP	NA	NA
+PJ058732	GCNNDDDD 	C29H42N10O19S	866.2349	NA	PeJP	NA	NA
+PJ058733	GSCCDDMH 	C30H46N10O14S3	866.2358	NA	PeJP	NA	NA
+PJ058734	APCCCCMH 	C31H50N10O9S5	866.2366	NA	PeJP	NA	NA
+PJ058735	CCCNDFY 	C35H46N8O12S3	866.2398	NA	PeJP	NA	NA
+PJ058736	GSDDDDDE 	C30H42N8O22	866.2414	NA	PeJP	NA	NA
+PJ058737	GPCDDDDM 	C31H46N8O17S2	866.2423	NA	PeJP	NA	NA
+PJ058738	GSTCCCMY 	C32H50N8O12S4	866.2431	NA	PeJP	NA	NA
+PJ058739	SSCCCNNH 	C29H46N12O13S3	866.247	NA	PeJP	NA	NA
+PJ058740	SCCCEHW 	C34H46N10O11S3	866.251	NA	PeJP	NA	NA
+PJ058741	SSSCCDEH 	C30H46N10O16S2	866.2535	NA	PeJP	NA	NA
+PJ058742	CCNEMMH 	C31H50N10O11S4	866.2544	NA	PeJP	NA	NA
+PJ058743	SDDDDDW 	C34H42N8O19	866.2567	NA	PeJP	NA	NA
+PJ058744	PCCDDEW 	C35H46N8O14S2	866.2575	NA	PeJP	NA	NA
+PJ058745	CCCNMFF 	C36H50N8O9S4	866.2584	NA	PeJP	NA	NA
+PJ058746	NDDDEEM 	C31H46N8O19S	866.26	NA	PeJP	NA	NA
+PJ058747	SSSSCCMY 	C32H50N8O14S3	866.2609	NA	PeJP	NA	NA
+PJ058748	GCCNNNNE 	C29H46N12O15S2	866.2647	NA	PeJP	NA	NA
+PJ058749	GGGGGCCNNE 	C29H46N12O15S2	866.2648	NA	PeJP	NA	NA
+PJ058750	CCCDMHR 	C30H50N12O10S4	866.2656	NA	PeJP	NA	NA
+PJ058751	CCNDEHF 	C34H46N10O13S2	866.2688	NA	PeJP	NA	NA
+PJ058752	GCCMMHW 	C35H50N10O8S4	866.2696	NA	PeJP	NA	NA
+PJ058753	CDDDDER 	C30H46N10O18S	866.2713	NA	PeJP	NA	NA
+PJ058754	GSSCDMMH 	C31H50N10O13S3	866.2721	NA	PeJP	NA	NA
+PJ058755	GGGGGPCCEM 	C31H50N10O13S3	866.2722	NA	PeJP	NA	NA
+PJ058756	CCCQHHH 	C32H46N14O9S3	866.2735	NA	PeJP	NA	NA
+PJ058757	GDDDEMW 	C35H46N8O16S	866.2753	NA	PeJP	NA	NA
+PJ058758	GCCQMYY 	C36H50N8O11S3	866.2761	NA	PeJP	NA	NA
+PJ058759	GGACCMYY 	C36H50N8O11S3	866.2762	NA	PeJP	NA	NA
+PJ058760	GSSDDEEE 	C31H46N8O21	866.2778	NA	PeJP	NA	NA
+PJ058761	GSPDDDMM 	C32H50N8O16S2	866.2787	NA	PeJP	NA	NA
+PJ058762	NDDDDHH 	C32H42N12O17	866.2791	NA	PeJP	NA	NA
+PJ058763	GPPCCEMM 	C33H54N8O11S4	866.2795	NA	PeJP	NA	NA
+PJ058764	CCNNNNW 	C33H46N12O12S2	866.28	NA	PeJP	NA	NA
+PJ058765	SSCNNNND 	C29H46N12O17S	866.2825	NA	PeJP	NA	NA
+PJ058766	GPCCCNDR 	C30H50N12O12S3	866.2834	NA	PeJP	NA	NA
+PJ058767	GCCDHFW 	C38H46N10O10S2	866.284	NA	PeJP	NA	NA
+PJ058768	SCNNDEW 	C34H46N10O15S	866.2865	NA	PeJP	NA	NA
+PJ058769	STCCMHW 	C35H50N10O10S3	866.2874	NA	PeJP	NA	NA
+PJ058770	SSSNNDDE 	C30H46N10O20	866.289	NA	PeJP	NA	NA
+PJ058771	SSSSCEMH 	C31H50N10O15S2	866.2899	NA	PeJP	NA	NA
+PJ058772	DDDMWW 	C39H46N8O13S	866.2905	NA	PeJP	NA	NA
+PJ058773	SCQMMMH 	C32H54N10O10S4	866.2907	NA	PeJP	NA	NA
+PJ058774	TCNMMMH 	C32H54N10O10S4	866.2908	NA	PeJP	NA	NA
+PJ058775	GSSCCHHH 	C32H46N14O11S2	866.2912	NA	PeJP	NA	NA
+PJ058776	SSDDEEW 	C35H46N8O18	866.293	NA	PeJP	NA	NA
+PJ058777	GGPDDDEY 	C35H46N8O18	866.2931	NA	PeJP	NA	NA
+PJ058778	SPCDEMW 	C36H50N8O13S2	866.2939	NA	PeJP	NA	NA
+PJ058779	PPCCMMW 	C37H54N8O8S4	866.2948	NA	PeJP	NA	NA
+PJ058780	SNEEEEM 	C32H50N8O18S	866.2964	NA	PeJP	NA	NA
+PJ058781	DDEYYY 	C40H46N6O16	866.297	NA	PeJP	NA	NA
+PJ058782	PNDEMMM 	C33H54N8O13S3	866.2973	NA	PeJP	NA	NA
+PJ058783	GSPCDDHH 	C33H46N12O14S	866.2978	NA	PeJP	NA	NA
+PJ058784	APPCCCHH 	C34H50N12O9S3	866.2986	NA	PeJP	NA	NA
+PJ058785	CNNDDMR 	C30H50N12O14S2	866.3011	NA	PeJP	NA	NA
+PJ058786	GGGGGGGGGTCM 	C30H50N12O14S2	866.3012	NA	PeJP	NA	NA
+PJ058787	EMMMYY 	C38H54N6O11S3	866.3013	NA	PeJP	NA	NA
+PJ058788	GSCNDWW 	C38H46N10O12S	866.3018	NA	PeJP	NA	NA
+PJ058789	SCCMMHR 	C31H54N12O9S4	866.302	NA	PeJP	NA	NA
+PJ058790	GSSSNDDW 	C34H46N10O17	866.3043	NA	PeJP	NA	NA
+PJ058791	GNNDMMW 	C35H50N10O12S2	866.3051	NA	PeJP	NA	NA
+PJ058792	GGGNDMMW 	C35H50N10O12S2	866.3052	NA	PeJP	NA	NA
+PJ058793	SCDEEER 	C31H50N10O17S	866.3076	NA	PeJP	NA	NA
+PJ058794	SDDDEMR 	C31H50N10O17S	866.3077	NA	PeJP	NA	NA
+PJ058795	GPDDDYW 	C39H46N8O15	866.3083	NA	PeJP	NA	NA
+PJ058796	PCDDMMR 	C32H54N10O12S3	866.3085	NA	PeJP	NA	NA
+PJ058797	CNNNEHH 	C32H46N14O13S	866.309	NA	PeJP	NA	NA
+PJ058798	PPCCDFW 	C40H50N8O10S2	866.3092	NA	PeJP	NA	NA
+PJ058799	CCCKHHH 	C33H50N14O8S3	866.3099	NA	PeJP	NA	NA
+PJ058800	GSEEEMW 	C36H50N8O15S	866.3117	NA	PeJP	NA	NA
+PJ058801	GSCCNNNR 	C29H50N14O13S2	866.3124	NA	PeJP	NA	NA
+PJ058802	GPDMMMW 	C37H54N8O10S3	866.3125	NA	PeJP	NA	NA
+PJ058803	GSSTEEEE 	C32H50N8O20	866.3142	NA	PeJP	NA	NA
+PJ058804	AQEEEMM 	C33H54N8O15S2	866.315	NA	PeJP	NA	NA
+PJ058805	GAAEEEMM 	C33H54N8O15S2	866.3151	NA	PeJP	NA	NA
+PJ058806	NNNNNDY 	C33H46N12O16	866.3155	NA	PeJP	NA	NA
+PJ058807	DEMFYY 	C41H50N6O13S	866.3157	NA	PeJP	NA	NA
+PJ058808	GPPTCMMM 	C34H58N8O10S4	866.3159	NA	PeJP	NA	NA
+PJ058809	GCCNERW 	C34H50N12O11S2	866.3164	NA	PeJP	NA	NA
+PJ058810	GSSCNDER 	C30H50N12O16S	866.3189	NA	PeJP	NA	NA
+PJ058811	GNNDDFW 	C38H46N10O14	866.3195	NA	PeJP	NA	NA
+PJ058812	GGGGGDDFW 	C38H46N10O14	866.3196	NA	PeJP	NA	NA
+PJ058813	GSPCCNMR 	C31H54N12O11S3	866.3198	NA	PeJP	NA	NA
+PJ058814	CNQMWW 	C39H50N10O9S2	866.3204	NA	PeJP	NA	NA
+PJ058815	SSNNEMW 	C35H50N10O14S	866.3229	NA	PeJP	NA	NA
+PJ058816	PCCCQKW 	C36H54N10O9S3	866.3238	NA	PeJP	NA	NA
+PJ058817	GCNNHHW 	C36H46N14O10S	866.3242	NA	PeJP	NA	NA
+PJ058818	GGGCNHHW 	C36H46N14O10S	866.3243	NA	PeJP	NA	NA
+PJ058819	SSSSNQEE 	C31H50N10O19	866.3254	NA	PeJP	NA	NA
+PJ058820	GDEEMMR 	C32H54N10O14S2	866.3263	NA	PeJP	NA	NA
+PJ058821	GSSNNDHH 	C32H46N14O15	866.3267	NA	PeJP	NA	NA
+PJ058822	GGGSSNDHH 	C32H46N14O15	866.3268	NA	PeJP	NA	NA
+MJ096499	Napsamycin B 	C40H50N8O12S	866.326889	NA	MeJP	NA	NA
+PJ058823	SEEMWW 	C40H50N8O12S	866.3269	NA	PeJP	NA	NA
+PJ058824	SCKMMMH 	C33H58N10O9S4	866.3271	NA	PeJP	NA	NA
+PJ058825	PCCDHHR 	C33H50N14O10S2	866.3276	NA	PeJP	NA	NA
+PJ058826	SSTEEEW 	C36H50N8O17	866.3294	NA	PeJP	NA	NA
+PJ058827	AAEEMMW 	C37H54N8O12S2	866.3303	NA	PeJP	NA	NA
+PJ058828	GSDEHHW 	C37H46N12O13	866.3308	NA	PeJP	NA	NA
+PJ058829	CCNRWW 	C38H50N12O8S2	866.3316	NA	PeJP	NA	NA
+C14816	Sch 59884	C41H49F2N8O9P	866.3328	NA	KEGG	NA	NA
+PJ058830	SDKEEEM 	C33H54N8O17S	866.3328	NA	PeJP	NA	NA
+PJ058831	TEEYYY 	C41H50N6O15	866.3334	NA	PeJP	NA	NA
+PJ058832	PTQEMMM 	C34H58N8O12S3	866.3337	NA	PeJP	NA	NA
+PJ058833	SSCNDRW 	C34H50N12O13S	866.3341	NA	PeJP	NA	NA
+PJ058834	GGGGGGNNMF 	C34H50N12O13S	866.3342	NA	PeJP	NA	NA
+PJ058835	PMMYYY 	C42H54N6O10S2	866.3343	NA	PeJP	NA	NA
+PJ058836	ACCMHFR 	C35H54N12O8S3	866.335	NA	PeJP	NA	NA
+PJ058837	SSSSNDDR 	C30H50N12O18	866.3366	NA	PeJP	NA	NA
+PJ058838	GGGGGGGSSSST 	C30H50N12O18	866.3367	NA	PeJP	NA	NA
+PJ058839	SNNDMMR 	C31H54N12O13S2	866.3375	NA	PeJP	NA	NA
+PJ058840	GSSNMWW 	C39H50N10O11S	866.3382	NA	PeJP	NA	NA
+PJ058841	ANNQEEY 	C35H50N10O16	866.3406	NA	PeJP	NA	NA
+PJ058842	GSSSSQEW 	C35H50N10O16	866.3407	NA	PeJP	NA	NA
+PJ058843	DEMMRW 	C36H54N10O11S2	866.3415	NA	PeJP	NA	NA
+PJ058844	GGGGGGPMMF 	C36H54N10O11S2	866.3416	NA	PeJP	NA	NA
+PJ058845	PCEFWW 	C44H50N8O9S	866.3422	NA	PeJP	NA	NA
+PJ058846	SSEEEMR 	C32H54N10O16S	866.344	NA	PeJP	NA	NA
+PJ058847	GSPEEYW 	C40H50N8O14	866.3447	NA	PeJP	NA	NA
+PJ058848	SPDMMMR 	C33H58N10O11S3	866.3449	NA	PeJP	NA	NA
+PJ058849	GDDMHHR 	C33H50N14O12S	866.3454	NA	PeJP	NA	NA
+PJ058850	APPCMYW 	C41H54N8O9S2	866.3455	NA	PeJP	NA	NA
+PJ058851	VDMMWW 	C41H54N8O9S2	866.3456	NA	PeJP	NA	NA
+PJ058852	SDHHWW 	C41H46N12O10	866.346	NA	PeJP	NA	NA
+PJ058853	STCLEEW 	C37H54N8O14S	866.348	NA	PeJP	NA	NA
+PJ058854	ATTEEMW 	C37H54N8O14S	866.3481	NA	PeJP	NA	NA
+PJ058855	PDFYYY 	C45H50N6O12	866.3487	NA	PeJP	NA	NA
+PJ058856	GGSCCERR 	C30H54N14O12S2	866.3488	NA	PeJP	NA	NA
+PJ058857	APTMMMW 	C38H58N8O9S3	866.3489	NA	PeJP	NA	NA
+PJ058858	QEMHHW 	C38H50N12O10S	866.3494	NA	PeJP	NA	NA
+PJ058859	SSSSLEEE 	C33H54N8O19	866.3505	NA	PeJP	NA	NA
+PJ058860	GTTTTEEE 	C33H54N8O19	866.3506	NA	PeJP	NA	NA
+PJ058861	AKEEEMM 	C34H58N8O14S2	866.3514	NA	PeJP	NA	NA
+PJ058862	GNNDERY 	C34H50N12O15	866.3519	NA	PeJP	NA	NA
+PJ058863	VEMYYY 	C42H54N6O12S	866.3521	NA	PeJP	NA	NA
+PJ058864	PVQMMMM 	C35H62N8O9S4	866.3523	NA	PeJP	NA	NA
+PJ058865	GSCQMRW 	C35H54N12O10S2	866.3528	NA	PeJP	NA	NA
+PJ058866	GNEHHHH 	C35H46N16O11	866.3532	NA	PeJP	NA	NA
+PJ058867	GGGEHHHH 	C35H46N16O11	866.3533	NA	PeJP	NA	NA
+PJ058868	CQHFFW 	C43H50N10O8S	866.3534	NA	PeJP	NA	NA
+PJ058869	GSSSNEMR 	C31H54N12O15S	866.3553	NA	PeJP	NA	NA
+PJ058870	SSSSQWW 	C39H50N10O13	866.3559	NA	PeJP	NA	NA
+PJ058871	GNQMMMR 	C32H58N12O10S3	866.3561	NA	PeJP	NA	NA
+PJ058872	GGGGAMMMR 	C32H58N12O10S3	866.3562	NA	PeJP	NA	NA
+PJ058873	SCNNHHR 	C32H50N16O11S	866.3566	NA	PeJP	NA	NA
+PJ058874	CNKMWW 	C40H54N10O8S2	866.3568	NA	PeJP	NA	NA
+PJ058875	SSNDKMW 	C36H54N10O13S	866.3593	NA	PeJP	NA	NA
+PJ058876	SPEYWW 	C44H50N8O11	866.3599	NA	PeJP	NA	NA
+PJ058877	PCCCKKW 	C37H58N10O8S3	866.3602	NA	PeJP	NA	NA
+PJ058878	CEHHRW 	C37H50N14O9S	866.3606	NA	PeJP	NA	NA
+PJ058879	SSSSNKEE 	C32H54N10O18	866.3618	NA	PeJP	NA	NA
+PJ058880	TTQQQMM 	C33H58N10O13S2	866.3626	NA	PeJP	NA	NA
+PJ058881	ATEEMMR 	C33H58N10O13S2	866.3627	NA	PeJP	NA	NA
+PJ058882	SSDEHHR 	C33H50N14O14	866.3631	NA	PeJP	NA	NA
+PJ058883	GGGGGGGSPQH 	C33H50N14O14	866.3632	NA	PeJP	NA	NA
+PJ058884	AAPEMYW 	C41H54N8O11S	866.3633	NA	PeJP	NA	NA
+PJ058885	APMMMMR 	C34H62N10O8S4	866.3635	NA	PeJP	NA	NA
+PJ058886	GSCCRRW 	C34H54N14O9S2	866.364	NA	PeJP	NA	NA
+PJ058887	AMHHWW 	C42H50N12O7S	866.3647	NA	PeJP	NA	NA
+PJ058888	TTTTEEW 	C37H54N8O16	866.3658	NA	PeJP	NA	NA
+PJ058889	GSSSCDRR 	C30H54N14O14S	866.3665	NA	PeJP	NA	NA
+PJ058890	GTLEMMW 	C38H58N8O11S2	866.3667	NA	PeJP	NA	NA
+PJ058891	NNDRYW 	C38H50N12O12	866.3671	NA	PeJP	NA	NA
+PJ058892	GGNDRYW 	C38H50N12O12	866.3672	NA	PeJP	NA	NA
+PJ058893	PMFFYY 	C46H54N6O9S	866.3673	NA	PeJP	NA	NA
+PJ058894	GCNMMRR 	C31H58N14O9S3	866.3674	NA	PeJP	NA	NA
+PJ058895	NHHHHW 	C39H46N16O8	866.3685	NA	PeJP	NA	NA
+PJ058896	TTKEEEM 	C34H58N8O16S	866.3692	NA	PeJP	NA	NA
+PJ058897	PTKEMMM 	C35H62N8O11S3	866.37	NA	PeJP	NA	NA
+PJ058898	VVQEMMM 	C35H62N8O11S3	866.3701	NA	PeJP	NA	NA
+PJ058899	SSSNMRW 	C35H54N12O12S	866.3705	NA	PeJP	NA	NA
+PJ058900	GGGGGGGACKF 	C35H54N12O12S	866.3706	NA	PeJP	NA	NA
+PJ058901	LMMFYY 	C43H58N6O9S2	866.3707	NA	PeJP	NA	NA
+PJ058902	GQQYWW 	C43H50N10O10	866.3712	NA	PeJP	NA	NA
+PJ058903	SSSSSQER 	C31H54N12O17	866.373	NA	PeJP	NA	NA
+PJ058904	SSQQMMR 	C32H58N12O12S2	866.3739	NA	PeJP	NA	NA
+PJ058905	GSTCKWW 	C40H54N10O10S	866.3745	NA	PeJP	NA	NA
+PJ058906	GGGPCKYW 	C40H54N10O10S	866.3746	NA	PeJP	NA	NA
+PJ058907	GSSSSKEW 	C36H54N10O15	866.377	NA	PeJP	NA	NA
+PJ058908	GVDEERY 	C36H54N10O15	866.3771	NA	PeJP	NA	NA
+PJ058909	GSQKMMW 	C37H58N10O10S2	866.3779	NA	PeJP	NA	NA
+PJ058910	GNQQHHF 	C37H50N14O11	866.3784	NA	PeJP	NA	NA
+PJ058911	PCLYWW 	C45H54N8O8S	866.3786	NA	PeJP	NA	NA
+PJ058912	TTTEEMR 	C33H58N10O15S	866.3804	NA	PeJP	NA	NA
+PJ058913	LQEEYW 	C41H54N8O13	866.3811	NA	PeJP	NA	NA
+PJ058914	GLEMMMR 	C34H62N10O10S3	866.3813	NA	PeJP	NA	NA
+PJ058915	SNNKMHH 	C34H54N14O11S	866.3817	NA	PeJP	NA	NA
+PJ058916	GCNDFRR 	C34H54N14O11S	866.3818	NA	PeJP	NA	NA
+PJ058917	TLMMWW 	C42H58N8O8S2	866.3819	NA	PeJP	NA	NA
+PJ058918	TTHHWW 	C42H50N12O9	866.3824	NA	PeJP	NA	NA
+PJ058919	STTLEMW 	C38H58N8O13S	866.3844	NA	PeJP	NA	NA
+PJ058920	GAALEEMF 	C38H58N8O13S	866.3845	NA	PeJP	NA	NA
+PJ058921	PVYYYY 	C46H54N6O11	866.3851	NA	PeJP	NA	NA
+PJ058922	GVLMMMW 	C39H62N8O8S3	866.3853	NA	PeJP	NA	NA
+PJ058923	NNMFRW 	C39H54N12O9S	866.3858	NA	PeJP	NA	NA
+PJ058924	SSTTTLEE 	C34H58N8O18	866.3869	NA	PeJP	NA	NA
+PJ058925	SLKEEMM 	C35H62N8O13S2	866.3878	NA	PeJP	NA	NA
+PJ058926	GSSSSTRW 	C35H54N12O14	866.3883	NA	PeJP	NA	NA
+PJ058927	PVKMMMM 	C36H66N8O8S4	866.3887	NA	PeJP	NA	NA
+PJ058928	ATCCKRW 	C36H58N12O9S2	866.3891	NA	PeJP	NA	NA
+PJ058929	GSCKMRW 	C36H58N12O9S2	866.3892	NA	PeJP	NA	NA
+PJ058930	GDKHHHH 	C36H50N16O10	866.3896	NA	PeJP	NA	NA
+PJ058931	CKHFFW 	C44H54N10O7S	866.3898	NA	PeJP	NA	NA
+PJ058932	GSSTTQMR 	C32H58N12O14S	866.3916	NA	PeJP	NA	NA
+PJ058933	GSSSDKMR 	C32H58N12O14S	866.3917	NA	PeJP	NA	NA
+PJ058934	SSSSKWW 	C40H54N10O12	866.3923	NA	PeJP	NA	NA
+PJ058935	GNKMMMR 	C33H62N12O9S3	866.3925	NA	PeJP	NA	NA
+PJ058936	PMMFRW 	C41H58N10O7S2	866.3932	NA	PeJP	NA	NA
+MJ096500	Fevicordin F; 22-Ketone, O25-Ac, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C43H62O18	866.393615	NA	MeJP	NA	NA
+MJ096501	Fevicordin F; 6,7-Didehydro, 25-Ac, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C43H62O18	866.393615	NA	MeJP	NA	NA
+PJ058937	GPPHHHW 	C41H50N14O8	866.3937	NA	PeJP	NA	NA
+PJ058938	SSTQKMW 	C37H58N10O12S	866.3957	NA	PeJP	NA	NA
+MJ096502	Ostreogrycin B 	C45H54N8O10	866.396289	NA	MeJP	NA	NA
+C11615	Pristinamycin IA	C45H54N8O10	866.3963	NA	KEGG	NA	NA
+PJ058939	ALEYWW 	C45H54N8O10	866.3963	NA	PeJP	NA	NA
+PJ058940	SSCCRRR 	C30H58N16O10S2	866.3964	NA	PeJP	NA	NA
+PJ058941	LMMMRW 	C38H62N10O7S3	866.3965	NA	PeJP	NA	NA
+PJ058942	TMHHRW 	C38H54N14O8S	866.397	NA	PeJP	NA	NA
+PJ058943	SSSSDKKE 	C33H58N10O17	866.3982	NA	PeJP	NA	NA
+PJ058944	STLEMMR 	C34H62N10O12S2	866.399	NA	PeJP	NA	NA
+PJ058945	GGSKKEMM 	C34H62N10O12S2	866.3991	NA	PeJP	NA	NA
+PJ058946	GSNDRRY 	C34H54N14O13	866.3995	NA	PeJP	NA	NA
+PJ058947	GGGGGGGGAALH 	C34H54N14O13	866.3996	NA	PeJP	NA	NA
+PJ058948	GPTLMYW 	C42H58N8O10S	866.3997	NA	PeJP	NA	NA
+PJ058949	PFFFFY 	C50H54N6O8	866.4003	NA	PeJP	NA	NA
+PJ058950	GVMMHHR 	C35H58N14O8S2	866.4004	NA	PeJP	NA	NA
+PJ058951	GSHHHHR 	C35H50N18O9	866.4009	NA	PeJP	NA	NA
+PJ058952	GLKEEEY 	C38H58N8O15	866.4022	NA	PeJP	NA	NA
+PJ058953	GSSSSMRR 	C31H58N14O13S	866.4029	NA	PeJP	NA	NA
+MJ096503	3-O-?-L-Rhamnopyranosyl-D-galactose; ?-Pyranose-form, Benzyl glycoside, 2,2',3',4,4'-pentabenzyl 	C54H58O10	866.402998	NA	MeJP	NA	NA
+PJ058954	SSLLMMW 	C39H62N8O10S2	866.4031	NA	PeJP	NA	NA
+PJ058955	SQQRYW 	C39H54N12O11	866.4035	NA	PeJP	NA	NA
+PJ058956	GGGPKEHW 	C39H54N12O11	866.4036	NA	PeJP	NA	NA
+PJ058957	LMFFFY 	C47H58N6O8S	866.4037	NA	PeJP	NA	NA
+PJ058958	ACCKMRR 	C32H62N14O8S3	866.4038	NA	PeJP	NA	NA
+3724	NA	WWPKHGG	866.404	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ058959	SSSTLLEM 	C35H62N8O15S	866.4056	NA	PeJP	NA	NA
+PJ058960	VVKEMMM 	C36H66N8O10S3	866.4064	NA	PeJP	NA	NA
+PJ058961	SSTCKRW 	C36H58N12O11S	866.4069	NA	PeJP	NA	NA
+PJ058962	ANKYWW 	C44H54N10O9	866.4075	NA	PeJP	NA	NA
+PJ058963	GQKYWW 	C44H54N10O9	866.4076	NA	PeJP	NA	NA
+PJ058964	SSSSSKER 	C32H58N12O16	866.4094	NA	PeJP	NA	NA
+PJ058965	SSQKMMR 	C33H62N12O11S2	866.4103	NA	PeJP	NA	NA
+PJ058966	GNQQQHR 	C33H54N16O12	866.4107	NA	PeJP	NA	NA
+PJ058967	GGGQQQHR 	C33H54N16O12	866.4108	NA	PeJP	NA	NA
+PJ058968	VEMFRW 	C41H58N10O9S	866.4109	NA	PeJP	NA	NA
+PJ058969	MMHHRR 	C34H58N16O7S2	866.4116	NA	PeJP	NA	NA
+MJ096504	Physalemin-like immunoreactive peptide 7; 7-L-Alanyl 	C37H58N10O14	866.413396	NA	MeJP	NA	NA
+PJ058970	GSSTTTKW 	C37H58N10O14	866.4134	NA	PeJP	NA	NA
+PJ058971	GGGPPPKEE 	C37H58N10O14	866.4135	NA	PeJP	NA	NA
+PJ058972	GSKKMMW 	C38H62N10O9S2	866.4143	NA	PeJP	NA	NA
+PJ058973	GSPQHRW 	C38H54N14O10	866.4148	NA	PeJP	NA	NA
+PJ058974	VVMFWW 	C46H58N8O7S	866.415	NA	PeJP	NA	NA
+PJ058975	GSSTKKEM 	C34H62N10O14S	866.4168	NA	PeJP	NA	NA
+PJ058976	SPTTLYW 	C42H58N8O12	866.4174	NA	PeJP	NA	NA
+PJ058977	LKEEYW 	C42H58N8O12	866.4175	NA	PeJP	NA	NA
+PJ058978	SVLMMMR 	C35H66N10O9S3	866.4177	NA	PeJP	NA	NA
+PJ058979	NQMRRY 	C35H58N14O10S	866.4181	NA	PeJP	NA	NA
+PJ058980	GGGAMRRY 	C35H58N14O10S	866.4182	NA	PeJP	NA	NA
+PJ058981	PNKHWW 	C43H54N12O8	866.4188	NA	PeJP	NA	NA
+PJ058982	SSSSSTRR 	C31H58N14O15	866.4206	NA	PeJP	NA	NA
+PJ058983	SPLKEMY 	C39H62N8O12S	866.4208	NA	PeJP	NA	NA
+PJ058984	VLFYYY 	C47H58N6O10	866.4215	NA	PeJP	NA	NA
+PJ058985	GNNNHRR 	C32H54N18O11	866.422	NA	PeJP	NA	NA
+PJ058986	CQKFRW 	C40H58N12O8S	866.4222	NA	PeJP	NA	NA
+PJ058987	TTTTTTLE 	C35H62N8O17	866.4233	NA	PeJP	NA	NA
+PJ058988	GTTTLLMM 	C36H66N8O12S2	866.4242	NA	PeJP	NA	NA
+PJ058989	GSQKERY 	C36H58N12O13	866.4247	NA	PeJP	NA	NA
+PJ058990	PPVMMHR 	C37H62N12O8S2	866.4255	NA	PeJP	NA	NA
+PJ058991	DHHFRR 	C37H54N16O9	866.426	NA	PeJP	NA	NA
+PJ058992	GSSTTKMR 	C33H62N12O13S	866.428	NA	PeJP	NA	NA
+PJ058993	TLERYW 	C41H58N10O11	866.4287	NA	PeJP	NA	NA
+PJ058994	ACKKMMR 	C34H66N12O8S3	866.4289	NA	PeJP	NA	NA
+PJ058995	CNRRRY 	C34H58N16O9S	866.4294	NA	PeJP	NA	NA
+MJ096505	Bryostatin 5 	C44H66O17	866.43	NA	MeJP	NA	NA
+MJ096506	Mycalolide A; O-De-Ac 	C45H62N4O13	866.431338	NA	MeJP	NA	NA
+PJ058996	SSTKKMW 	C38H62N10O11S	866.432	NA	PeJP	NA	NA
+PJ058997	GVLEMRY 	C38H62N10O11S	866.4321	NA	PeJP	NA	NA
+MJ096507	Ferintoic acid A 	C46H58N8O9	866.432675	NA	MeJP	NA	NA
+PJ058998	SLLYWW 	C46H58N8O9	866.4327	NA	PeJP	NA	NA
+PJ058999	STTTTTQK 	C34H62N10O16	866.4345	NA	PeJP	NA	NA
+PJ059000	SSSTTKKE 	C34H62N10O16	866.4346	NA	PeJP	NA	NA
+PJ059001	SDKKKMM 	C35H66N10O11S2	866.4354	NA	PeJP	NA	NA
+PJ059002	GSTQRRY 	C35H58N14O12	866.4359	NA	PeJP	NA	NA
+PJ059003	AALLMYW 	C43H62N8O9S	866.4361	NA	PeJP	NA	NA
+PJ059004	LFFFFF 	C51H58N6O7	866.4367	NA	PeJP	NA	NA
+PJ059005	SVLKEEY 	C39H62N8O14	866.4386	NA	PeJP	NA	NA
+PJ059006	VVLQMMF 	C40H66N8O9S2	866.4394	NA	PeJP	NA	NA
+PJ059007	PVVKMMY 	C40H66N8O9S2	866.4395	NA	PeJP	NA	NA
+PJ059008	SQKRYW 	C40H58N12O10	866.4399	NA	PeJP	NA	NA
+PJ059009	STTTTLLM 	C36H66N8O14S	866.4419	NA	PeJP	NA	NA
+PJ059010	TLLKMMM 	C37H70N8O9S3	866.4428	NA	PeJP	NA	NA
+PJ059011	LEMRRY 	C37H62N12O10S	866.4433	NA	PeJP	NA	NA
+PJ059012	GKKYWW 	C45H58N10O8	866.4439	NA	PeJP	NA	NA
+PJ059013	GPPFFFR 	C45H58N10O8	866.444	NA	PeJP	NA	NA
+PJ059014	SSSTTTKR 	C33H62N12O15	866.4458	NA	PeJP	NA	NA
+PJ059015	SSKKMMR 	C34H66N12O10S2	866.4467	NA	PeJP	NA	NA
+PJ059016	AAQEHRR 	C34H58N16O11	866.4471	NA	PeJP	NA	NA
+PJ059017	GGGVEHRR 	C34H58N16O11	866.4472	NA	PeJP	NA	NA
+PJ059018	VLMRYW 	C42H62N10O8S	866.4473	NA	PeJP	NA	NA
+PJ059019	SSLLERY 	C38H62N10O13	866.4498	NA	PeJP	NA	NA
+PJ059020	GLLMMFR 	C39H66N10O8S2	866.4507	NA	PeJP	NA	NA
+PJ059021	GSPKHRW 	C39H58N14O9	866.4512	NA	PeJP	NA	NA
+PJ059022	SSSSLKKM 	C35H66N10O13S	866.4532	NA	PeJP	NA	NA
+PJ059023	ATTLLYW 	C43H62N8O11	866.4538	NA	PeJP	NA	NA
+PJ059024	GAALLEFF 	C43H62N8O11	866.4539	NA	PeJP	NA	NA
+PJ059025	AKKKMMM 	C36H70N10O8S3	866.4541	NA	PeJP	NA	NA
+PJ059026	NKMRRY 	C36H62N14O9S	866.4545	NA	PeJP	NA	NA
+PJ059027	LKHHFW 	C44H58N12O7	866.4552	NA	PeJP	NA	NA
+PJ059028	ALLKEMY 	C40H66N8O11S	866.4572	NA	PeJP	NA	NA
+PJ059029	NEHRRR 	C33H58N18O10	866.4584	NA	PeJP	NA	NA
+PJ059030	CKKFRW 	C41H62N12O7S	866.4586	NA	PeJP	NA	NA
+MJ096508	12-Hydroxydaphnetoxin; 12?-form, 12-Cinnamoyl, 20-hexadecanoyl 	C52H66O11	866.460512	NA	MeJP	NA	NA
+PJ059031	ASDKKRY 	C37H62N12O12	866.461	NA	PeJP	NA	NA
+PJ059032	GSKKERY 	C37H62N12O12	866.4611	NA	PeJP	NA	NA
+PJ059033	VNHRRW 	C38H58N16O8	866.4624	NA	PeJP	NA	NA
+PJ059034	DKKKYW 	C42H62N10O10	866.4651	NA	PeJP	NA	NA
+PJ059035	APCKHRR 	C35H62N16O8S	866.4658	NA	PeJP	NA	NA
+MJ096509	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[6-O-Malonyl-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C45H70O16	866.466386	NA	MeJP	NA	NA
+MJ096510	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C45H70O16	866.466386	NA	MeJP	NA	NA
+PJ059036	ATLLMRY 	C39H66N10O10S	866.4684	NA	PeJP	NA	NA
+PJ059037	GGALKKMY 	C39H66N10O10S	866.4685	NA	PeJP	NA	NA
+PJ059038	AALLFFW 	C47H62N8O8	866.4691	NA	PeJP	NA	NA
+PJ059039	STTTTTKK 	C35H66N10O15	866.4709	NA	PeJP	NA	NA
+PJ059040	TTKKKMM 	C36H70N10O10S2	866.4718	NA	PeJP	NA	NA
+PJ059041	GSTKRRY 	C36H62N14O11	866.4723	NA	PeJP	NA	NA
+PJ059042	PVVKMFF 	C44H66N8O8S	866.4725	NA	PeJP	NA	NA
+PJ059043	GHRRRW 	C37H58N18O7	866.4736	NA	PeJP	NA	NA
+PJ059044	TTLLKEY 	C40H66N8O13	866.475	NA	PeJP	NA	NA
+PJ059045	VVLKMMF 	C41H70N8O8S2	866.4758	NA	PeJP	NA	NA
+PJ059046	SKKRYW 	C41H62N12O9	866.4763	NA	PeJP	NA	NA
+PJ059047	AAKKMRY 	C38H66N12O9S	866.4797	NA	PeJP	NA	NA
+PJ059048	LLLHWW 	C46H62N10O7	866.4803	NA	PeJP	NA	NA
+C16839	Brevetoxin A	C49H70O13	866.4816	NA	KEGG	NA	NA
+MJ096511	Brevetoxin A 	C49H70O13	866.481642	NA	MeJP	NA	NA
+PJ059049	GPPERRR 	C35H62N16O10	866.4835	NA	PeJP	NA	NA
+PJ059050	KKKMFW 	C43H66N10O7S	866.4837	NA	PeJP	NA	NA
+PJ059051	TTTLLRY 	C39H66N10O12	866.4862	NA	PeJP	NA	NA
+PJ059052	LQKHRW 	C40H62N14O8	866.4875	NA	PeJP	NA	NA
+PJ059053	GPPVRRW 	C40H62N14O8	866.4876	NA	PeJP	NA	NA
+PJ059054	PPLLLEW 	C44H66N8O10	866.4902	NA	PeJP	NA	NA
+PJ059055	APKKMHR 	C37H66N14O8S	866.4909	NA	PeJP	NA	NA
+PJ059056	SLLLKMY 	C41H70N8O10S	866.4936	NA	PeJP	NA	NA
+PJ059057	DKHRRR 	C34H62N18O9	866.4948	NA	PeJP	NA	NA
+PJ059058	ATTKKRY 	C38H66N12O11	866.4974	NA	PeJP	NA	NA
+PJ059059	AAPPVKER 	C38H66N12O11	866.4975	NA	PeJP	NA	NA
+PJ059060	PPRRRW 	C39H62N16O7	866.4988	NA	PeJP	NA	NA
+PJ059061	SVLLLHW 	C43H66N10O9	866.5015	NA	PeJP	NA	NA
+MJ096512	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Ribopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C46H74O15	866.502771	NA	MeJP	NA	NA
+MJ096513	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Ribopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O15	866.502771	NA	MeJP	NA	NA
+MJ096514	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O15	866.502771	NA	MeJP	NA	NA
+PJ059062	GLKKKMY 	C40H70N10O9S	866.5048	NA	PeJP	NA	NA
+PJ059063	SHRRRR 	C33H62N20O8	866.506	NA	PeJP	NA	NA
+PJ059064	PPVDKRR 	C37H66N14O10	866.5087	NA	PeJP	NA	NA
+PJ059065	SPPVLLLE 	C41H70N8O12	866.5114	NA	PeJP	NA	NA
+PJ059066	APPLKRW 	C42H66N12O8	866.5127	NA	PeJP	NA	NA
+PJ059067	VVLLMHR 	C39H70N12O8S	866.5161	NA	PeJP	NA	NA
+PJ059068	SPPVRRR 	C36H66N16O9	866.5199	NA	PeJP	NA	NA
+PJ059069	STLKKKY 	C40H70N10O11	866.5226	NA	PeJP	NA	NA
+PJ059070	LKKHRW 	C41H66N14O7	866.5239	NA	PeJP	NA	NA
+PJ059071	ALLLKFY 	C45H70N8O9	866.5266	NA	PeJP	NA	NA
+PJ059072	APPLLLLM 	C42H74N8O9S	866.53	NA	PeJP	NA	NA
+PJ059073	PPLKKER 	C39H70N12O10	866.5338	NA	PeJP	NA	NA
+PJ059074	AVKKKFF 	C44H70N10O8	866.5378	NA	PeJP	NA	NA
+PJ059075	PPVLKKW 	C44H70N10O8	866.5379	NA	PeJP	NA	NA
+MJ096515	Annorumin 	C47H78O14	866.539157	NA	MeJP	NA	NA
+MJ096516	Antibiotic CP 80219 	C47H78O14	866.539157	NA	MeJP	NA	NA
+MJ096517	Dianemycin 	C47H78O14	866.539157	NA	MeJP	NA	NA
+MJ096518	Endusamycin 	C47H78O14	866.539157	NA	MeJP	NA	NA
+C12047	Nanchangmycin	C47H78O14	866.5392	NA	KEGG	NA	NA
+PJ059076	LLLLKMH 	C41H74N10O8S	866.5412	NA	PeJP	NA	NA
+PJ059077	PPTLKRR 	C38H70N14O9	866.5451	NA	PeJP	NA	NA
+PJ059078	APVLLLLE 	C42H74N8O11	866.5477	NA	PeJP	NA	NA
+PJ059079	GPLLLLLE 	C42H74N8O11	866.5478	NA	PeJP	NA	NA
+PJ059080	GPLLRRR 	C37H70N16O8	866.5563	NA	PeJP	NA	NA
+PJ059081	APPTLLKK 	C41H74N10O10	866.559	NA	PeJP	NA	NA
+PJ059082	PLLLLLW 	C46H74N8O8	866.563	NA	PeJP	NA	NA
+PJ059083	PLLLQKR 	C40H74N12O9	866.5702	NA	PeJP	NA	NA
+MJ096519	Ritterazine B; 7',17'-Dideoxy 	C54H78N2O7	866.580902	NA	MeJP	NA	NA
+MJ096520	Ritterazine P 	C54H78N2O7	866.580902	NA	MeJP	NA	NA
+PJ059084	AKKKKKH 	C39H74N14O8	866.5814	NA	PeJP	NA	NA
+PJ059085	PVVLKRR 	C39H74N14O8	866.5815	NA	PeJP	NA	NA
+PJ059086	SPVLLLLL 	C43H78N8O10	866.5841	NA	PeJP	NA	NA
+HMDB09785	PI(16:0/20:0)	C45H87O13P	866.58844	NA	HMDB2010	NA	NA
+HMDB09808	PI(18:0/18:0)	C45H87O13P	866.58844	NA	HMDB2010	NA	NA
+HMDB09866	PI(20:0/16:0)	C45H87O13P	866.58844	NA	HMDB2010	NA	NA
+PJ059087	GPVLLLKK 	C42H78N10O9	866.5954	NA	PeJP	NA	NA
+MJ096521	2,2'-Bis(4-hydroxy-3-methyl-2-butenyl)-?,?-carotene; O-?-D-Glucopyranoside 	C56H82O7	866.606054	NA	MeJP	NA	NA
+MJ096522	2-(4-Hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-3',4'-didehydro-1',2'-dihydro-?,?-caroten-1'-ol; ?5,6-Isomer, 4''-O-?-D-glucopyranoside 	C56H82O7	866.606054	NA	MeJP	NA	NA
+MJ096523	Decaprenoxanthin; Mono-O-?-D-Glucopyranoside 	C56H82O7	866.606054	NA	MeJP	NA	NA
+MJ096524	Sarcinaxanthin; Mono-O-?-D-Glucopyranoside 	C56H82O7	866.606054	NA	MeJP	NA	NA
+PJ059088	PLLLKKR 	C41H78N12O8	866.6066	NA	PeJP	NA	NA
+PJ059089	GLLLLLLL 	C44H82N8O9	866.6205	NA	PeJP	NA	NA
+MJ096525	Glycerol tri-9,11,13,15-octadecatetraenoate 	C57H86O6	866.64244	NA	MeJP	NA	NA
+MetaCyc04209	ubiquinol-10 [ubiquinol(10);]	C59H94O4	866.715212	NA	metacyc	NA	NA
+MJ096526	Technetium mebrofenin 	C30H34Br2N4O10Tc(-)	866.979209	NA	MeJP	NA	NA
+HMDB01022	Succinyl-CoA	C25H40N7O19P3S	867.131226	NA	HMDB2010	NA	NA
+HMDB01269	Methylmalonyl-CoA	C25H40N7O19P3S	867.131226	NA	HMDB2010	NA	NA
+HMDB02255	R-Methylmalonyl-CoA	C25H40N7O19P3S	867.131226	NA	HMDB2010	NA	NA
+HMDB02310	S-Methylmalonyl-CoA	C25H40N7O19P3S	867.131226	NA	HMDB2010	NA	NA
+HMDB01022	Succinyl-CoA	C25H40N7O19P3S	867.13123	http://www.hmdb.ca/metabolites/HMDB01022	HMDB	NA	NA
+HMDB01269	Methylmalonyl-CoA	C25H40N7O19P3S	867.13123	http://www.hmdb.ca/metabolites/HMDB01269	HMDB	NA	NA
+HMDB02255	R-Methylmalonyl-CoA	C25H40N7O19P3S	867.13123	http://www.hmdb.ca/metabolites/HMDB02255	HMDB	NA	NA
+HMDB02310	S-Methylmalonyl-CoA	C25H40N7O19P3S	867.13123	http://www.hmdb.ca/metabolites/HMDB02310	HMDB	NA	NA
+HMDB01022	Succinyl-CoA	C25H40N7O19P3S	867.13123	HMDB01022	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01269	Methylmalonyl-CoA	C25H40N7O19P3S	867.13123	HMDB01269	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02255	R-Methylmalonyl-CoA	C25H40N7O19P3S	867.13123	HMDB02255	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02310	S-Methylmalonyl-CoA	C25H40N7O19P3S	867.13123	HMDB02310	PFEM_hmdb_metabocards_official	NA	NA
+MJ096527	(R)-2-Methyl-3-oxopropanoyl-CoA 	C25H40N7O19P3S	867.131252	NA	MeJP	NA	NA
+MJ096528	(S)-2-Methyl-3-oxopropanoyl-CoA 	C25H40N7O19P3S	867.131252	NA	MeJP	NA	NA
+MJ096529	Methylmalonyl-CoA 	C25H40N7O19P3S	867.131252	NA	MeJP	NA	NA
+MJ096530	Succinyl-CoA 	C25H40N7O19P3S	867.131252	NA	MeJP	NA	NA
+MetaCyc04210	succinyl-CoA [suc-coa;succ-coenzyme-A;succ-S-coenzyme-A;succinyl-S-coenzyme-A;succ-S-CoA;succinylcoenzyme-A;succ-CoA;suc-co-A;succinyl-S-CoA;]	C25H40N7O19P3S1	867.131252	604-98-8	metacyc	NA	NA
+MetaCyc04211	(R)-methylmalonyl-CoA [L-methylmalonyl-CoA;methylmalonyl-CoA;methyl-malonyl-coenzyme A;CH3-malonyl-CoA;]	C25H40N7O19P3S1	867.131252	NA	metacyc	NA	NA
+MetaCyc04212	(S)-methyl-malonyl-CoA [D-methylmalonyl-CoA;methyl-malonyl-coenzyme A;CH3-malonyl-CoA;]	C25H40N7O19P3S1	867.131252	104809-02-1	metacyc	NA	NA
+C00091	Succinyl-CoA	C25H40N7O19P3S	867.1313	NA	KEGG	NA	NA
+C00683	(S)-Methylmalonyl-CoA	C25H40N7O19P3S	867.1313	NA	KEGG	NA	NA
+C01213	(R)-Methylmalonyl-CoA	C25H40N7O19P3S	867.1313	NA	KEGG	NA	NA
+C02557	Methylmalonyl-CoA	C25H40N7O19P3S	867.1313	NA	KEGG	NA	NA
+PJ059090	CCCCCCCQ 	C26H45N9O10S7	867.1335	NA	PeJP	NA	NA
+PJ059091	GSSCCCCCC 	C26H45N9O12S6	867.1512	NA	PeJP	NA	NA
+C03237	5-Hydroxypentanoyl-CoA	C26H44N7O18P3S	867.1676	NA	KEGG	NA	NA
+C04405	(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA	C26H44N7O18P3S	867.1676	NA	KEGG	NA	NA
+C04408	2',3'-Cyclicphosphooligoribonucleotide	C10H16O12P2R2	867.1676	NA	KEGG	NA	NA
+C05998	3-Hydroxyisovaleryl-CoA	C26H44N7O18P3S	867.1676	NA	KEGG	NA	NA
+MJ096531	(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA 	C26H44N7O18P3S	867.167637	NA	MeJP	NA	NA
+MetaCyc04213	5-hydroxypentanoyl-CoA []	C26H44N7O18P3S1	867.167638	NA	metacyc	NA	NA
+MetaCyc04214	3-hydroxyisovaleryl-CoA [3-hydroxy-isovaleryl-coa;3-hydroxy-iso-valeryl-CoA;]	C26H44N7O18P3S1	867.167638	NA	metacyc	NA	NA
+MetaCyc04215	2-methyl-3-hydroxybutyryl-CoA [(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA;(2S,3S)-3-hydroxy-2-methylbutyryl-CoA;(S)-3-hydroxy-2-methylbutyryl-CoA;3-hydroxy-2-methylbutyryl-CoA;]	C26H44N7O18P3S1	867.167638	NA	metacyc	NA	NA
+HMDB01356	2-Methyl-3-hydroxybutyryl-CoA	C26H44N7O18P3S	867.16766	http://www.hmdb.ca/metabolites/HMDB01356	HMDB	NA	NA
+HMDB06870	3-Hydroxyisovaleryl-CoA	C26H44N7O18P3S	867.16766	http://www.hmdb.ca/metabolites/HMDB06870	HMDB	NA	NA
+HMDB01356	2-Methyl-3-hydroxybutyryl-CoA	C26H44N7O18P3S	867.16766	HMDB01356	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06870	3-Hydroxyisovaleryl-CoA	C26H44N7O18P3S	867.16766	HMDB06870	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01356	2-Methyl-3-hydroxybutyryl-CoA	C26H44N7O18P3S	867.167664	NA	HMDB2010	NA	NA
+HMDB06870	3-Hydroxyisovaleryl-CoA	C26H44N7O18P3S	867.167664	NA	HMDB2010	NA	NA
+PJ059092	CCCCCCCK 	C27H49N9O9S7	867.1699	NA	PeJP	NA	NA
+PJ059093	GCCCCCNY 	C30H45N9O11S5	867.1842	NA	PeJP	NA	NA
+PJ059094	GGGCCCCCY 	C30H45N9O11S5	867.1843	NA	PeJP	NA	NA
+MJ096532	N-[2-[[5-Amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxyphenyl)methyl]-2-oxoethyl]-4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinecarboxamide 	C38H47Br2N9O5	867.20669	NA	MeJP	NA	NA
+PJ059095	CCCDMMY 	C32H49N7O11S5	867.2094	NA	PeJP	NA	NA
+PJ059096	GCCCCNEH 	C29H45N11O12S4	867.2132	NA	PeJP	NA	NA
+PJ059097	GGGCCCCEH 	C29H45N11O12S4	867.2133	NA	PeJP	NA	NA
+PJ059098	GCNDDDDD 	C29H41N9O20S	867.2189	NA	PeJP	NA	NA
+PJ059099	CCCDDFY 	C35H45N7O13S3	867.2238	NA	PeJP	NA	NA
+PJ059100	CCCMMMF 	C33H53N7O8S6	867.228	NA	PeJP	NA	NA
+PJ059101	CCCCNHW 	C33H45N11O9S4	867.2285	NA	PeJP	NA	NA
+PJ059102	SSCCCNDH 	C29H45N11O14S3	867.231	NA	PeJP	NA	NA
+PJ059103	SPCCNDDD 	C30H45N9O17S2	867.2375	NA	PeJP	NA	NA
+PJ059104	CCDEMMH 	C31H49N9O12S4	867.2384	NA	PeJP	NA	NA
+PJ059105	SCCDDYY 	C35H45N7O15S2	867.2415	NA	PeJP	NA	NA
+PJ059106	CCCDMFF 	C36H49N7O10S4	867.2424	NA	PeJP	NA	NA
+PJ059107	CDDEEEE 	C31H45N7O20S	867.244	NA	PeJP	NA	NA
+PJ059108	DDDDEEM 	C31H45N7O20S	867.2441	NA	PeJP	NA	NA
+PJ059109	SCCMMMY 	C33H53N7O10S5	867.2458	NA	PeJP	NA	NA
+PJ059110	GCCNNNDE 	C29H45N11O16S2	867.2488	NA	PeJP	NA	NA
+PJ059111	GSCCCQMH 	C30H49N11O11S4	867.2496	NA	PeJP	NA	NA
+PJ059112	CCDDEHF 	C34H45N9O14S2	867.2528	NA	PeJP	NA	NA
+PJ059113	GPPCCCCW 	C35H49N9O9S4	867.2537	NA	PeJP	NA	NA
+PJ059114	GSNDDDDM 	C30H45N9O19S	867.2553	NA	PeJP	NA	NA
+PJ059115	GPCCNDEM 	C31H49N9O14S3	867.2562	NA	PeJP	NA	NA
+PJ059116	CCCEHHH 	C32H45N13O10S3	867.2575	NA	PeJP	NA	NA
+PJ059117	GCCEMYY 	C36H49N7O12S3	867.2602	NA	PeJP	NA	NA
+PJ059118	GSCCCCHR 	C29H49N13O10S4	867.2609	NA	PeJP	NA	NA
+PJ059119	DDDDDHH 	C32H41N11O18	867.2632	NA	PeJP	NA	NA
+PJ059120	CCNNNDW 	C33H45N11O13S2	867.264	NA	PeJP	NA	NA
+PJ059121	SSCNNNDD 	C29H45N11O18S	867.2665	NA	PeJP	NA	NA
+PJ059122	GPCCCDDR 	C30H49N11O13S3	867.2674	NA	PeJP	NA	NA
+PJ059123	SCNDDEW 	C34H45N9O16S	867.2705	NA	PeJP	NA	NA
+PJ059124	PCCNDMW 	C35H49N9O11S3	867.2714	NA	PeJP	NA	NA
+PJ059125	SSSNDDDE 	C30H45N9O21	867.273	NA	PeJP	NA	NA
+PJ059126	NNDDEMM 	C31H49N9O16S2	867.2739	NA	PeJP	NA	NA
+PJ059127	SCEMMMH 	C32H53N9O11S4	867.2748	NA	PeJP	NA	NA
+PJ059128	CCMYYW 	C40H49N7O9S3	867.2754	NA	PeJP	NA	NA
+PJ059129	PDDDDEY 	C35H45N7O19	867.2771	NA	PeJP	NA	NA
+PJ059130	SSCDMYY 	C36H49N7O14S2	867.2779	NA	PeJP	NA	NA
+PJ059131	ACCMMFY 	C37H53N7O9S4	867.2788	NA	PeJP	NA	NA
+C08326	Anthemis glycoside A	C39H49NO21	867.2797	NA	KEGG	NA	NA
+PJ059132	SDEEEEM 	C32H49N7O19S	867.2804	NA	PeJP	NA	NA
+PJ059133	PDDEMMM 	C33H53N7O14S3	867.2813	NA	PeJP	NA	NA
+PJ059134	CCNNMHF 	C34H49N11O10S3	867.2826	NA	PeJP	NA	NA
+PJ059135	GGGGCCMHF 	C34H49N11O10S3	867.2827	NA	PeJP	NA	NA
+PJ059136	CNDDDMR 	C30H49N11O15S2	867.2851	NA	PeJP	NA	NA
+PJ059137	GGCDDDMR 	C30H49N11O15S2	867.2852	NA	PeJP	NA	NA
+PJ059138	GSCDDWW 	C38H45N9O13S	867.2858	NA	PeJP	NA	NA
+PJ059139	SPPCCCCR 	C31H53N11O10S4	867.286	NA	PeJP	NA	NA
+PJ059140	APCCCWW 	C39H49N9O8S3	867.2867	NA	PeJP	NA	NA
+PJ059141	GSSSDDDW 	C34H45N9O18	867.2883	NA	PeJP	NA	NA
+PJ059142	GNDDMMW 	C35H49N9O13S2	867.2892	NA	PeJP	NA	NA
+PJ059143	PCCMMHF 	C36H53N9O8S4	867.29	NA	PeJP	NA	NA
+PJ059144	GSSNDEEM 	C31H49N9O18S	867.2917	NA	PeJP	NA	NA
+PJ059145	GSPCNEMM 	C32H53N9O13S3	867.2925	NA	PeJP	NA	NA
+PJ059146	CNNDEHH 	C32H45N13O14S	867.293	NA	PeJP	NA	NA
+PJ059147	GPCCYYY 	C40H49N7O11S2	867.2932	NA	PeJP	NA	NA
+PJ059148	GMMMMMH 	C33H57N9O8S5	867.2934	NA	PeJP	NA	NA
+PJ059149	TCCMHHH 	C33H49N13O9S3	867.2939	NA	PeJP	NA	NA
+MJ096533	Perdeacyleuojaponin; 1-Benzoyl, 2,6,8,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096534	Perdeacyleuojaponin; 14-Benzoyl, 1,2,6,8,9-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096535	Perdeacyleuojaponin; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096536	Perdeacyleuojaponin; 6-Benzoyl, 1,2,8,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096537	Perdeacyleuojaponin; 8-Epimer, 8-benzoyl, 1,2,6,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096538	Perdeacyleuojaponin; 9-Benzoyl, 1,2,6,8,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096539	Perdeacylhypoglaunine; 23-Deoxy, 8-benzoyl, 1,2,6,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096540	Perdeacylisowilfordine; 26-Deoxy, 2-benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096541	Perdeacylwilforine; 1-Benzoyl, 2,6,8,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+MJ096542	Perdeacylwilforine; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO18	867.294963	NA	MeJP	NA	NA
+PJ059150	PDDDEMF 	C36H49N7O16S	867.2957	NA	PeJP	NA	NA
+PJ059151	GSCCNNDR 	C29H49N13O14S2	867.2964	NA	PeJP	NA	NA
+PJ059152	GTCMMYY 	C37H53N7O11S3	867.2965	NA	PeJP	NA	NA
+PJ059153	AEEEEMM 	C33H53N7O16S2	867.2991	NA	PeJP	NA	NA
+PJ059154	NNNNDDY 	C33H45N11O17	867.2995	NA	PeJP	NA	NA
+PJ059155	GGGGGGGGDDY 	C33H45N11O17	867.2996	NA	PeJP	NA	NA
+PJ059156	GCCDERW 	C34H49N11O12S2	867.3004	NA	PeJP	NA	NA
+PJ059157	GSSCDDER 	C30H49N11O17S	867.3029	NA	PeJP	NA	NA
+PJ059158	GNDDDFW 	C38H45N9O15	867.3036	NA	PeJP	NA	NA
+PJ059159	GSPCCDMR 	C31H53N11O12S3	867.3038	NA	PeJP	NA	NA
+PJ059160	CNEMWW 	C39H49N9O10S2	867.3044	NA	PeJP	NA	NA
+PJ059161	SSNDEMW 	C35H49N9O15S	867.3069	NA	PeJP	NA	NA
+PJ059162	SPCNMMW 	C36H53N9O10S3	867.3078	NA	PeJP	NA	NA
+PJ059163	GCNDHHW 	C36H45N13O11S	867.3083	NA	PeJP	NA	NA
+PJ059164	CCFFYW 	C44H49N7O8S2	867.3084	NA	PeJP	NA	NA
+PJ059165	SSSSNEEE 	C31H49N9O20	867.3094	NA	PeJP	NA	NA
+PJ059166	SNQEEMM 	C32H53N9O15S2	867.3103	NA	PeJP	NA	NA
+PJ059167	GSSNDDHH 	C32H45N13O16	867.3108	NA	PeJP	NA	NA
+PJ059168	NDMYYY 	C40H49N7O13S	867.3109	NA	PeJP	NA	NA
+PJ059169	STMMMMH 	C33H57N9O10S4	867.3111	NA	PeJP	NA	NA
+PJ059170	PNNMMMM 	C33H57N9O10S4	867.3112	NA	PeJP	NA	NA
+PJ059171	GSPCCQHH 	C33H49N13O11S2	867.3116	NA	PeJP	NA	NA
+PJ059172	ACCMFFF 	C41H53N7O8S3	867.3118	NA	PeJP	NA	NA
+PJ059173	SPDEEEY 	C36H49N7O18	867.3134	NA	PeJP	NA	NA
+PJ059174	SSSMMYY 	C37H53N7O13S2	867.3143	NA	PeJP	NA	NA
+PJ059175	CCNNQMR 	C30H53N13O11S3	867.315	NA	PeJP	NA	NA
+PJ059176	CCDRWW 	C38H49N11O9S2	867.3157	NA	PeJP	NA	NA
+PJ059177	TTEEEEM 	C33H53N7O18S	867.3168	NA	PeJP	NA	NA
+PJ059178	PTEEMMM 	C34H57N7O13S3	867.3177	NA	PeJP	NA	NA
+PJ059179	GSSSCNQW 	C34H49N11O14S	867.3181	NA	PeJP	NA	NA
+PJ059180	SSCDDRW 	C34H49N11O14S	867.3182	NA	PeJP	NA	NA
+PJ059181	PPMMMMM 	C35H61N7O8S5	867.3186	NA	PeJP	NA	NA
+PJ059182	PTCCCRW 	C35H53N11O9S3	867.319	NA	PeJP	NA	NA
+PJ059183	GCMWWW 	C43H49N9O7S2	867.3197	NA	PeJP	NA	NA
+PJ059184	SSSSDDDR 	C30H49N11O19	867.3206	NA	PeJP	NA	NA
+PJ059185	GGGSSSSSNE 	C30H49N11O19	867.3207	NA	PeJP	NA	NA
+PJ059186	SNDDMMR 	C31H53N11O14S2	867.3215	NA	PeJP	NA	NA
+PJ059187	GSSDMWW 	C39H49N9O12S	867.3222	NA	PeJP	NA	NA
+PJ059188	PCCQMMR 	C32H57N11O9S4	867.3224	NA	PeJP	NA	NA
+PJ059189	GSSSSEEW 	C35H49N9O17	867.3247	NA	PeJP	NA	NA
+PJ059190	GSQEMMW 	C36H53N9O12S2	867.3255	NA	PeJP	NA	NA
+PJ059191	GGGTEMMW 	C36H53N9O12S2	867.3256	NA	PeJP	NA	NA
+PJ059192	ACYYYW 	C44H49N7O10S	867.3262	NA	PeJP	NA	NA
+PJ059193	GGGGCCCRR 	C29H53N15O10S3	867.3263	NA	PeJP	NA	NA
+PJ059194	GCMHHHF 	C37H49N13O8S2	867.3269	NA	PeJP	NA	NA
+PJ059195	GSSTQEEM 	C32H53N9O17S	867.328	NA	PeJP	NA	NA
+PJ059196	GGGSTTEEM 	C32H53N9O17S	867.3281	NA	PeJP	NA	NA
+PJ059197	EEEEFW 	C40H49N7O15	867.3287	NA	PeJP	NA	NA
+PJ059198	AQQEMMM 	C33H57N9O12S3	867.3289	NA	PeJP	NA	NA
+PJ059199	SNNEMHH 	C33H49N13O13S	867.3294	NA	PeJP	NA	NA
+PJ059200	NMMFYY 	C41H53N7O10S2	867.3296	NA	PeJP	NA	NA
+PJ059201	APEEEMY 	C37H53N7O15S	867.3321	NA	PeJP	NA	NA
+PJ059202	SCCDERR 	C30H53N13O13S2	867.3328	NA	PeJP	NA	NA
+PJ059203	PPDMMMF 	C38H57N7O10S3	867.3329	NA	PeJP	NA	NA
+PJ059204	GCNNQFW 	C38H49N11O11S	867.3334	NA	PeJP	NA	NA
+PJ059205	PCCCMRR 	C31H57N13O8S4	867.3336	NA	PeJP	NA	NA
+PJ059206	SLEEEMM 	C34H57N7O15S2	867.3354	NA	PeJP	NA	NA
+PJ059207	SSSSSNNW 	C34H49N11O16	867.3359	NA	PeJP	NA	NA
+PJ059208	PVEMMMM 	C35H61N7O10S4	867.3363	NA	PeJP	NA	NA
+PJ059209	GSCEMRW 	C35H53N11O11S2	867.3368	NA	PeJP	NA	NA
+PJ059210	GDEHHHH 	C35H45N15O12	867.3373	NA	PeJP	NA	NA
+PJ059211	STCWWW 	C43H49N9O9S	867.3374	NA	PeJP	NA	NA
+PJ059212	GSSSDEMR 	C31H53N11O16S	867.3393	NA	PeJP	NA	NA
+PJ059213	SSSSEWW 	C39H49N9O14	867.3399	NA	PeJP	NA	NA
+PJ059214	GGGGPDDFF 	C39H49N9O14	867.34	NA	PeJP	NA	NA
+PJ059215	ANDMMMR 	C32H57N11O11S3	867.3401	NA	PeJP	NA	NA
+PJ059216	GNEMMMR 	C32H57N11O11S3	867.3402	NA	PeJP	NA	NA
+PJ059217	SCNDHHR 	C32H49N15O12S	867.3406	NA	PeJP	NA	NA
+PJ059218	SQMMWW 	C40H53N9O9S2	867.3408	NA	PeJP	NA	NA
+PJ059219	SSTQEMW 	C36H53N9O14S	867.3433	NA	PeJP	NA	NA
+PJ059220	SSYYYW 	C44H49N7O12	867.3439	NA	PeJP	NA	NA
+PJ059221	GGDFFYY 	C44H49N7O12	867.344	NA	PeJP	NA	NA
+PJ059222	AAQMMMW 	C37H57N9O9S3	867.3442	NA	PeJP	NA	NA
+PJ059223	GSNMHHW 	C37H49N13O10S	867.3446	NA	PeJP	NA	NA
+PJ059224	GGGSMHHW 	C37H49N13O10S	867.3447	NA	PeJP	NA	NA
+PJ059225	SSSSDKEE 	C32H53N9O19	867.3458	NA	PeJP	NA	NA
+MJ096543	Taxol?; N-Me 	C48H53NO14	867.346605	NA	MeJP	NA	NA
+PJ059226	SNKEEMM 	C33H57N9O14S2	867.3467	NA	PeJP	NA	NA
+PJ059227	GSSSQEHH 	C33H49N13O15	867.3471	NA	PeJP	NA	NA
+PJ059228	PNDDDHR 	C33H49N13O15	867.3472	NA	PeJP	NA	NA
+PJ059229	TQMYYY 	C41H53N7O12S	867.3473	NA	PeJP	NA	NA
+PJ059230	PCQKMMM 	C34H61N9O9S4	867.3475	NA	PeJP	NA	NA
+PJ059231	GAPCKMMM 	C34H61N9O9S4	867.3476	NA	PeJP	NA	NA
+PJ059232	GQQMMHH 	C34H53N13O10S2	867.348	NA	PeJP	NA	NA
+PJ059233	GLEEEEY 	C37H53N7O17	867.3498	NA	PeJP	NA	NA
+PJ059234	SSSSCNQR 	C30H53N13O15S	867.3505	NA	PeJP	NA	NA
+PJ059235	PPTEMMY 	C38H57N7O12S2	867.3507	NA	PeJP	NA	NA
+PJ059236	NDDRYW 	C38H49N11O13	867.3512	NA	PeJP	NA	NA
+PJ059237	GCDMMRR 	C31H57N13O10S3	867.3514	NA	PeJP	NA	NA
+PJ059238	SCMRWW 	C39H53N11O8S2	867.352	NA	PeJP	NA	NA
+PJ059239	DHHHHW 	C39H45N15O9	867.3525	NA	PeJP	NA	NA
+PJ059240	VVEEMMM 	C35H61N7O12S3	867.3541	NA	PeJP	NA	NA
+PJ059241	SSSDMRW 	C35H53N11O13S	867.3545	NA	PeJP	NA	NA
+PJ059242	GGGGGAAQMY 	C35H53N11O13S	867.3546	NA	PeJP	NA	NA
+PJ059243	GQEYWW 	C43H49N9O11	867.3552	NA	PeJP	NA	NA
+PJ059244	NMMMRW 	C36H57N11O8S3	867.3554	NA	PeJP	NA	NA
+PJ059245	PTCHHHH 	C36H49N15O9S	867.3559	NA	PeJP	NA	NA
+PJ059246	SSSSSEER 	C31H53N11O18	867.357	NA	PeJP	NA	NA
+PJ059247	SSQEMMR 	C32H57N11O13S2	867.3579	NA	PeJP	NA	NA
+PJ059248	NNNNQQH 	C32H49N15O14	867.3584	NA	PeJP	NA	NA
+PJ059249	ATTTCWW 	C40H53N9O11S	867.3585	NA	PeJP	NA	NA
+PJ059250	GSTTMWW 	C40H53N9O11S	867.3586	NA	PeJP	NA	NA
+PJ059251	PCCKMMR 	C33H61N11O8S4	867.3588	NA	PeJP	NA	NA
+PJ059252	ACNMHHR 	C33H53N15O9S2	867.3592	NA	PeJP	NA	NA
+PJ059253	GCQMHHR 	C33H53N15O9S2	867.3593	NA	PeJP	NA	NA
+PJ059254	ASSSTTEW 	C36H53N9O16	867.361	NA	PeJP	NA	NA
+PJ059255	GSSTTTEW 	C36H53N9O16	867.3611	NA	PeJP	NA	NA
+PJ059256	GSKEMMW 	C37H57N9O11S2	867.3619	NA	PeJP	NA	NA
+PJ059257	SSSQHHW 	C37H49N13O12	867.3624	NA	PeJP	NA	NA
+PJ059258	NMFFFY 	C45H53N7O9S	867.3626	NA	PeJP	NA	NA
+PJ059259	GSSTKEEM 	C33H57N9O16S	867.3644	NA	PeJP	NA	NA
+PJ059260	LEEEYW 	C41H53N7O14	867.3651	NA	PeJP	NA	NA
+PJ059261	AQKEMMM 	C34H61N9O11S3	867.3653	NA	PeJP	NA	NA
+PJ059262	GNNNMRY 	C34H53N13O12S	867.3658	NA	PeJP	NA	NA
+PJ059263	PNEHWW 	C42H49N11O10	867.3664	NA	PeJP	NA	NA
+PJ059264	GSSSSSSNR 	C30H53N13O17	867.3683	NA	PeJP	NA	NA
+PJ059265	SPLEEMY 	C38H57N7O14S	867.3685	NA	PeJP	NA	NA
+PJ059266	SSCEMRR 	C31H57N13O12S2	867.3691	NA	PeJP	NA	NA
+PJ059267	PPVMMMY 	C39H61N7O9S3	867.3693	NA	PeJP	NA	NA
+PJ059268	GSPCRYW 	C39H53N11O10S	867.3698	NA	PeJP	NA	NA
+PJ059269	QYWWW 	C47H49N9O8	867.3704	NA	PeJP	NA	NA
+PJ059270	GCCHHRR 	C32H53N17O8S2	867.3705	NA	PeJP	NA	NA
+PJ059271	GSQEERY 	C35H53N11O15	867.3723	NA	PeJP	NA	NA
+PJ059272	GSTMMRW 	C36H57N11O10S2	867.3732	NA	PeJP	NA	NA
+PJ059273	ATEHHHH 	C36H49N15O11	867.3736	NA	PeJP	NA	NA
+PJ059274	AQMFWW 	C44H53N9O8S	867.3738	NA	PeJP	NA	NA
+PJ059275	GSSTTEMR 	C32H57N11O15S	867.3757	NA	PeJP	NA	NA
+PJ059276	SSTTTWW 	C40H53N9O13	867.3763	NA	PeJP	NA	NA
+PJ059277	GDKMMMR 	C33H61N11O10S3	867.3765	NA	PeJP	NA	NA
+PJ059278	GGGGCKKMM 	C33H61N11O10S3	867.3766	NA	PeJP	NA	NA
+PJ059279	SSNMHHR 	C33H53N15O11S	867.377	NA	PeJP	NA	NA
+PJ059280	SKMMWW 	C41H57N9O8S2	867.3772	NA	PeJP	NA	NA
+PJ059281	NQHHFW 	C41H49N13O9	867.3777	NA	PeJP	NA	NA
+PJ059282	SSTKEMW 	C37H57N9O13S	867.3797	NA	PeJP	NA	NA
+PJ059283	VNFYYY 	C45H53N7O11	867.3803	NA	PeJP	NA	NA
+PJ059284	AAKMMMW 	C38H61N9O8S3	867.3806	NA	PeJP	NA	NA
+PJ059285	GTCKHHW 	C38H53N13O9S	867.381	NA	PeJP	NA	NA
+PJ059286	GPHWWW 	C46H49N11O7	867.3817	NA	PeJP	NA	NA
+PJ059287	SSSTTKEE 	C33H57N9O18	867.3822	NA	PeJP	NA	NA
+PJ059288	SDKKEMM 	C34H61N9O13S2	867.3831	NA	PeJP	NA	NA
+PJ059289	GSDDRRY 	C34H53N13O14	867.3835	NA	PeJP	NA	NA
+PJ059290	GGGGGGLQEH 	C34H53N13O14	867.3836	NA	PeJP	NA	NA
+PJ059291	TKMYYY 	C42H57N7O11S	867.3837	NA	PeJP	NA	NA
+PJ059292	PCKKMMM 	C35H65N9O8S4	867.3839	NA	PeJP	NA	NA
+PJ059293	APCCRRY 	C35H57N13O9S2	867.3844	NA	PeJP	NA	NA
+PJ059294	ACFRWW 	C43H53N11O7S	867.3851	NA	PeJP	NA	NA
+PJ059295	SVLEEEY 	C38H57N7O16	867.3862	NA	PeJP	NA	NA
+PJ059296	SSSSCNKR 	C31H57N13O14S	867.3869	NA	PeJP	NA	NA
+PJ059297	PVVEMMY 	C39H61N7O11S2	867.3871	NA	PeJP	NA	NA
+PJ059298	SQERYW 	C39H53N11O12	867.3875	NA	PeJP	NA	NA
+PJ059299	GGTERYW 	C39H53N11O12	867.3876	NA	PeJP	NA	NA
+PJ059300	GSMMMRR 	C32H61N13O9S3	867.3878	NA	PeJP	NA	NA
+PJ059301	MMHFFR 	C40H57N11O7S2	867.3884	NA	PeJP	NA	NA
+PJ059302	GPHHHHF 	C40H49N15O8	867.3889	NA	PeJP	NA	NA
+PJ059303	TLLEMMM 	C36H65N7O11S3	867.3904	NA	PeJP	NA	NA
+PJ059304	SSTTMRW 	C36H57N11O12S	867.3909	NA	PeJP	NA	NA
+PJ059305	GGGGGAAPPPM 	C36H57N11O12S	867.391	NA	PeJP	NA	NA
+PJ059306	GKEYWW 	C44H53N9O10	867.3916	NA	PeJP	NA	NA
+PJ059307	GLMHHHH 	C37H53N15O8S	867.3923	NA	PeJP	NA	NA
+PJ059308	SSSTTTER 	C32H57N11O17	867.3934	NA	PeJP	NA	NA
+PJ059309	SSKEMMR 	C33H61N11O12S2	867.3943	NA	PeJP	NA	NA
+PJ059310	GSSSTHHR 	C33H53N15O13	867.3948	NA	PeJP	NA	NA
+PJ059311	GSPKMYW 	C41H57N9O10S	867.3949	NA	PeJP	NA	NA
+PJ059312	GGAALMYW 	C41H57N9O10S	867.395	NA	PeJP	NA	NA
+PJ059313	PPCCHRR 	C34H57N15O8S2	867.3956	NA	PeJP	NA	NA
+PJ059314	SSSSTTLW 	C37H57N9O15	867.3974	NA	PeJP	NA	NA
+PJ059315	GDKKEEY 	C37H57N9O15	867.3975	NA	PeJP	NA	NA
+PJ059316	ATTKMMW 	C38H61N9O10S2	867.3983	NA	PeJP	NA	NA
+PJ059317	GSPEHRW 	C38H53N13O11	867.3988	NA	PeJP	NA	NA
+PJ059318	SSSSLKEM 	C34H61N9O15S	867.4008	NA	PeJP	NA	NA
+PJ059319	SPPLEYY 	C42H57N7O13	867.4015	NA	PeJP	NA	NA
+PJ059320	AKKEMMM 	C35H65N9O10S3	867.4017	NA	PeJP	NA	NA
+PJ059321	NEMRRY 	C35H57N13O11S	867.4021	NA	PeJP	NA	NA
+PJ059322	GGEMRRY 	C35H57N13O11S	867.4022	NA	PeJP	NA	NA
+PJ059323	PPVMMFF 	C43H61N7O8S2	867.4023	NA	PeJP	NA	NA
+PJ059324	GTRYWW 	C43H53N11O9	867.4028	NA	PeJP	NA	NA
+PJ059325	ALLEEMY 	C39H61N7O13S	867.4048	NA	PeJP	NA	NA
+PJ059326	SSTMMRR 	C32H61N13O11S2	867.4055	NA	PeJP	NA	NA
+PJ059327	PVLMMMF 	C40H65N7O8S3	867.4057	NA	PeJP	NA	NA
+PJ059328	GNNDHRR 	C32H53N17O12	867.406	NA	PeJP	NA	NA
+PJ059329	VNMRYW 	C40H57N11O9S	867.4062	NA	PeJP	NA	NA
+PJ059330	KYWWW 	C48H53N9O7	867.4068	NA	PeJP	NA	NA
+PJ059331	GSKEERY 	C36H57N11O14	867.4087	NA	PeJP	NA	NA
+PJ059332	VLLMMMM 	C37H69N7O8S4	867.4091	NA	PeJP	NA	NA
+PJ059333	APCKMRY 	C37H61N11O9S2	867.4095	NA	PeJP	NA	NA
+PJ059334	PVCCKRY 	C37H61N11O9S2	867.4096	NA	PeJP	NA	NA
+PJ059335	NQQHRW 	C37H53N15O10	867.41	NA	PeJP	NA	NA
+PJ059336	AKMFWW 	C45H57N9O7S	867.4102	NA	PeJP	NA	NA
+PJ059337	SSSSTLMR 	C33H61N11O14S	867.412	NA	PeJP	NA	NA
+PJ059338	GGSSSSKKM 	C33H61N11O14S	867.4121	NA	PeJP	NA	NA
+PJ059339	DKKEYW 	C41H57N9O12	867.4127	NA	PeJP	NA	NA
+PJ059340	ATKMMMR 	C34H65N11O9S3	867.4129	NA	PeJP	NA	NA
+PJ059341	CDRRRY 	C34H57N15O10S	867.4134	NA	PeJP	NA	NA
+PJ059342	SPHRWW 	C42H53N13O8	867.414	NA	PeJP	NA	NA
+PJ059343	GGKHHFW 	C42H53N13O8	867.4141	NA	PeJP	NA	NA
+PJ059344	TTTTKMW 	C38H61N9O12S	867.4161	NA	PeJP	NA	NA
+PJ059345	TKFFYY 	C46H57N7O10	867.4167	NA	PeJP	NA	NA
+PJ059346	GMRRYW 	C39H57N13O8S	867.4174	NA	PeJP	NA	NA
+PJ059347	STTTTTKE 	C34H61N9O17	867.4186	NA	PeJP	NA	NA
+PJ059348	TTKKEMM 	C35H65N9O12S2	867.4194	NA	PeJP	NA	NA
+PJ059349	GSTERRY 	C35H57N13O13	867.4199	NA	PeJP	NA	NA
+PJ059350	GGGGGGGGAPPK 	C35H57N13O13	867.42	NA	PeJP	NA	NA
+PJ059351	PPVVMYY 	C43H61N7O10S	867.4201	NA	PeJP	NA	NA
+PJ059352	QMMFRR 	C36H61N13O8S2	867.4208	NA	PeJP	NA	NA
+PJ059353	GPQHHHR 	C36H53N17O9	867.4213	NA	PeJP	NA	NA
+PJ059354	TTLLEEY 	C39H61N7O15	867.4226	NA	PeJP	NA	NA
+PJ059355	PTLLMMY 	C40H65N7O10S2	867.4235	NA	PeJP	NA	NA
+PJ059356	SKERYW 	C40H57N11O11	867.4239	NA	PeJP	NA	NA
+PJ059357	GGGLLEHW 	C40H57N11O11	867.424	NA	PeJP	NA	NA
+PJ059358	CCCKKKR 	C33H65N13O8S3	867.4242	NA	PeJP	NA	NA
+PJ059359	AAKEMRY 	C37H61N11O11S	867.4273	NA	PeJP	NA	NA
+PJ059360	SVKYWW 	C45H57N9O9	867.4279	NA	PeJP	NA	NA
+PJ059361	TTKFWW 	C45H57N9O9	867.428	NA	PeJP	NA	NA
+PJ059362	STTTTTTR 	C33H61N11O16	867.4298	NA	PeJP	NA	NA
+PJ059363	TTTKMMR 	C34H65N11O11S2	867.4307	NA	PeJP	NA	NA
+PJ059364	SSPEHRR 	C34H57N15O12	867.4311	NA	PeJP	NA	NA
+PJ059365	AAEEHRR 	C34H57N15O12	867.4312	NA	PeJP	NA	NA
+PJ059366	LQKMYW 	C42H61N9O9S	867.4313	NA	PeJP	NA	NA
+PJ059367	CMFRRR 	C35H61N15O7S2	867.432	NA	PeJP	NA	NA
+PJ059368	ATKKEEY 	C38H61N9O14	867.4338	NA	PeJP	NA	NA
+2850	NA	FGGFTGRIPKLWDNQ	867.4339	MH2+	Inhouse_peptide	NA	peptide
+PJ059369	GGAPPLLDE 	C38H61N9O14	867.4339	NA	PeJP	NA	NA
+PJ059370	APKKMMY 	C39H65N9O9S2	867.4347	NA	PeJP	NA	NA
+PJ059371	STRRYW 	C39H57N13O10	867.4352	NA	PeJP	NA	NA
+PJ059372	SSTTTLKM 	C35H65N9O14S	867.4372	NA	PeJP	NA	NA
+PJ059373	APLLEYY 	C43H61N7O12	867.4379	NA	PeJP	NA	NA
+PJ059374	SLKKMMM 	C36H69N9O9S3	867.4381	NA	PeJP	NA	NA
+PJ059375	DKMRRY 	C36H61N13O10S	867.4385	NA	PeJP	NA	NA
+PJ059376	GGGCKKRY 	C36H61N13O10S	867.4386	NA	PeJP	NA	NA
+PJ059377	VLQHWW 	C44H57N11O8	867.4392	NA	PeJP	NA	NA
+MJ096544	Flavensomycin 	C47H65NO14	867.440505	NA	MeJP	NA	NA
+PJ059378	SLLLEMY 	C40H65N7O12S	867.4412	NA	PeJP	NA	NA
+PJ059379	DEHRRR 	C33H57N17O11	867.4424	NA	PeJP	NA	NA
+PJ059380	CLKRYW 	C41H61N11O8S	867.4426	NA	PeJP	NA	NA
+PJ059381	ATTKERY 	C37H61N11O13	867.4451	NA	PeJP	NA	NA
+PJ059382	GVKMMFR 	C38H65N11O8S2	867.4459	NA	PeJP	NA	NA
+PJ059383	VDHRRW 	C38H57N15O9	867.4464	NA	PeJP	NA	NA
+PJ059384	SSSTCKKK 	C34H65N11O13S	867.4484	NA	PeJP	NA	NA
+PJ059385	GTTLKYW 	C42H61N9O11	867.4491	NA	PeJP	NA	NA
+PJ059386	CCKKKKM 	C35H69N11O8S3	867.4493	NA	PeJP	NA	NA
+PJ059387	SMRRRY 	C35H61N15O9S	867.4498	NA	PeJP	NA	NA
+PJ059388	ALHRWW 	C43H57N13O7	867.4504	NA	PeJP	NA	NA
+PJ059389	SVLQKMY 	C39H65N9O11S	867.4524	NA	PeJP	NA	NA
+PJ059390	GLKKEMY 	C39H65N9O11S	867.4525	NA	PeJP	NA	NA
+PJ059391	PPVVFFY 	C47H61N7O9	867.4531	NA	PeJP	NA	NA
+MJ096545	Glycocinnaspermicidin A 	C36H61N13O12	867.456264	NA	MeJP	NA	NA
+PJ059392	SSSLRRY 	C36H61N13O12	867.4563	NA	PeJP	NA	NA
+PJ059393	PVVLMFY 	C44H65N7O9S	867.4565	NA	PeJP	NA	NA
+PJ059394	KMMFRR 	C37H65N13O7S2	867.4572	NA	PeJP	NA	NA
+PJ059395	GPKHHHR 	C37H57N17O8	867.4577	NA	PeJP	NA	NA
+PJ059396	VVLLMMY 	C41H69N7O9S2	867.4599	NA	PeJP	NA	NA
+MJ096546	Aedes aegypti Allatostatins; Allatostatin 4 	C41H61N11O10	867.460287	NA	MeJP	NA	NA
+PJ059397	APPLERW 	C41H61N11O10	867.4603	NA	PeJP	NA	NA
+PJ059398	GTLKMRY 	C38H65N11O10S	867.4637	NA	PeJP	NA	NA
+PJ059399	APPVLWW 	C46H61N9O8	867.4643	NA	PeJP	NA	NA
+PJ059400	GPPLLWW 	C46H61N9O8	867.4644	NA	PeJP	NA	NA
+PJ059401	GTLEHRR 	C35H61N15O11	867.4675	NA	PeJP	NA	NA
+PJ059402	GGGAPPTRR 	C35H61N15O11	867.4676	NA	PeJP	NA	NA
+PJ059403	LKKMYW 	C43H65N9O8S	867.4677	NA	PeJP	NA	NA
+PJ059404	STLKKEY 	C39H65N9O13	867.4702	NA	PeJP	NA	NA
+PJ059405	ALKKMMF 	C40H69N9O8S2	867.4711	NA	PeJP	NA	NA
+PJ059406	LKEHRW 	C40H61N13O9	867.4716	NA	PeJP	NA	NA
+PJ059407	SPLLLYY 	C44H65N7O11	867.4742	NA	PeJP	NA	NA
+PJ059408	SPLKMHR 	C37H65N13O9S	867.4749	NA	PeJP	NA	NA
+PJ059409	VLKHWW 	C45H61N11O7	867.4756	NA	PeJP	NA	NA
+PJ059410	GSQKHRR 	C34H61N17O10	867.4788	NA	PeJP	NA	NA
+PJ059411	STTLKRY 	C38H65N11O12	867.4814	NA	PeJP	NA	NA
+PJ059412	GGSTKKKY 	C38H65N11O12	867.4815	NA	PeJP	NA	NA
+PJ059413	TLHRRW 	C39H61N15O8	867.4828	NA	PeJP	NA	NA
+PJ059414	PPVLKEW 	C43H65N9O10	867.4855	NA	PeJP	NA	NA
+PJ059415	GVLMHRR 	C36H65N15O8S	867.4862	NA	PeJP	NA	NA
+PJ059416	SVLKKMY 	C40H69N9O10S	867.4888	NA	PeJP	NA	NA
+PJ059417	LLLLEMH 	C40H69N9O10S	867.4889	NA	PeJP	NA	NA
+PJ059418	PVVLFFF 	C48H65N7O8	867.4895	NA	PeJP	NA	NA
+3499	ACE inhibitor from b-casein	SKVLPVPE	867.492	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ059419	PPTLERR 	C37H65N13O11	867.4927	NA	PeJP	NA	NA
+PJ059420	VVLLMFF 	C45H69N7O8S	867.4929	NA	PeJP	NA	NA
+PJ059421	PHFRRR 	C38H61N17O7	867.494	NA	PeJP	NA	NA
+PJ059422	SPPLLRW 	C42H65N11O9	867.4967	NA	PeJP	NA	NA
+PJ059423	LMHRRR 	C35H65N17O7S	867.4974	NA	PeJP	NA	NA
+C10819	Solamargine	C45H73NO15	867.498	NA	KEGG	NA	NA
+C10820	Solanine	C45H73NO15	867.498	NA	KEGG	NA	NA
+MJ096547	Antibiotic N 1 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096548	Leptinidine; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096549	Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-O-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096550	Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-O-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096551	Solanidine; O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096552	Solanidine; O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096553	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096554	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096555	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+MJ096556	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H73NO15	867.49802	NA	MeJP	NA	NA
+PJ059424	ACKKKKY 	C39H69N11O9S	867.5001	NA	PeJP	NA	NA
+PJ059425	LKKFFW 	C47H65N9O7	867.5007	NA	PeJP	NA	NA
+PJ059426	SSLLHRR 	C36H65N15O10	867.5039	NA	PeJP	NA	NA
+PJ059427	APPTLLKE 	C40H69N9O12	867.5066	NA	PeJP	NA	NA
+PJ059428	AAKKKHW 	C41H65N13O8	867.5079	NA	PeJP	NA	NA
+PJ059429	GPPKKRW 	C41H65N13O8	867.508	NA	PeJP	NA	NA
+PJ059430	ALLLLYY 	C45H69N7O10	867.5106	NA	PeJP	NA	NA
+PJ059431	PPVLMRR 	C38H69N13O8S	867.5113	NA	PeJP	NA	NA
+PJ059432	GPVQRRR 	C35H65N17O9	867.5152	NA	PeJP	NA	NA
+PJ059433	SSKKKKY 	C39H69N11O11	867.5178	NA	PeJP	NA	NA
+PJ059434	GAPLLLER 	C39H69N11O11	867.5179	NA	PeJP	NA	NA
+PJ059435	PVLLLQW 	C44H69N9O9	867.5219	NA	PeJP	NA	NA
+PJ059436	GPPLLLKM 	C41H73N9O9S	867.5252	NA	PeJP	NA	NA
+PJ059437	PQRRRR 	C34H65N19O8	867.5264	NA	PeJP	NA	NA
+PJ059438	PVVLERR 	C38H69N13O10	867.5291	NA	PeJP	NA	NA
+PJ059439	APLLLRW 	C43H69N11O8	867.5331	NA	PeJP	NA	NA
+PJ059440	VLLKKMH 	C40H73N11O8S	867.5365	NA	PeJP	NA	NA
+PJ059441	SPPKKRR 	C37H69N15O9	867.5403	NA	PeJP	NA	NA
+PJ059442	GPVLLLKE 	C41H73N9O11	867.543	NA	PeJP	NA	NA
+PJ059443	GPVKRRR 	C36H69N17O8	867.5516	NA	PeJP	NA	NA
+PJ059444	PLLLKER 	C40H73N11O10	867.5542	NA	PeJP	NA	NA
+MJ096557	Cadiolide A; 3'',5''-Dibromo 	C24H10Br6O6	867.557763	NA	MeJP	NA	NA
+PJ059445	PVLLLKW 	C45H73N9O8	867.5583	NA	PeJP	NA	NA
+PJ059446	PKRRRR 	C35H69N19O7	867.5628	NA	PeJP	NA	NA
+PJ059447	PTLLLRR 	C39H73N13O9	867.5655	NA	PeJP	NA	NA
+PJ059448	APLKKRR 	C38H73N15O8	867.5767	NA	PeJP	NA	NA
+PJ059449	APTLLLLK 	C42H77N9O10	867.5794	NA	PeJP	NA	NA
+PJ059450	LLLLLQR 	C41H77N11O9	867.5906	NA	PeJP	NA	NA
+EUR1003	PC 38:5 [M-H+acetate]-	C46H82NO8P	867.598907	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1003	PC 38:5 [M-H+acetate]-	C46H82NO8P	867.598907	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1003	PC 38:5 [M-H+acetate]-	C46H82NO8P	867.598907	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1003	PC 38:5 [M-H+acetate]-	C46H82NO8P	867.598907	masses lipides attendues	Inhousejuil11	NA	NA
+PJ059451	PVLKKKR 	C40H77N13O8	867.6018	NA	PeJP	NA	NA
+PJ059452	VVLLLRR 	C40H77N13O8	867.6019	NA	PeJP	NA	NA
+PJ059453	GVLLLLLK 	C43H81N9O9	867.6158	NA	PeJP	NA	NA
+PJ059454	LLLLLKR 	C42H81N11O8	867.627	NA	PeJP	NA	NA
+HMDB08158	PC(18:2(9Z,12Z)/24:1(15Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08190	PC(18:3(6Z,9Z,12Z)/24:0)	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08223	PC(18:3(9Z,12Z,15Z)/24:0)	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08317	PC(20:1(11Z)/22:2(13Z,16Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08349	PC(20:2(11Z,14Z)/22:1(13Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08381	PC(20:3(5Z,8Z,11Z)/22:0)	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08413	PC(20:3(8Z,11Z,14Z)/22:0)	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08540	PC(22:0/20:3(5Z,8Z,11Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08541	PC(22:0/20:3(8Z,11Z,14Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08571	PC(22:1(13Z)/20:2(11Z,14Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08603	PC(22:2(13Z,16Z)/20:1(11Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08764	PC(24:0/18:3(6Z,9Z,12Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08765	PC(24:0/18:3(9Z,12Z,15Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB08796	PC(24:1(15Z)/18:2(9Z,12Z))	C50H94NO8P	867.671692	NA	HMDB2010	NA	NA
+HMDB01340	Diguanosine tetraphosphate	C20H28N10O21P4	868.038086	NA	HMDB2010	NA	NA
+HMDB01340	Diguanosine tetraphosphate	C20H28N10O21P4	868.03809	http://www.hmdb.ca/metabolites/HMDB01340	HMDB	NA	NA
+HMDB01340	Diguanosine tetraphosphate	C20H28N10O21P4	868.03809	HMDB01340	PFEM_hmdb_metabocards_official	NA	NA
+MJ096558	P1,P4-Diguanosine 5'-tetraphosphate 	C20H28N10O21P4	868.038094	NA	MeJP	NA	NA
+MJ096559	P1,P4-Bis(5'-guanosyl) tetraphosphate 	C20H28N10O21P4	868.038094	NA	MeJP	NA	NA
+MetaCyc04216	P1,P4-bis(5'-guanosyl) tetraphosphate [bis(5'-guanosyl) tetraphosphate;]	C20H28N10O21P4	868.038094	NA	metacyc	NA	NA
+C01261	P1,P4-Bis(5'-guanosyl) tetraphosphate	C20H28N10O21P4	868.0381	NA	KEGG	NA	NA
+PJ059455	CCCCCCCE 	C26H44N8O11S7	868.1175	NA	PeJP	NA	NA
+MJ096560	Theaflavin; 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl) 	C43H32O20	868.148693	NA	MeJP	NA	NA
+PJ059456	TCCCCCCM 	C27H48N8O10S7	868.1539	NA	PeJP	NA	NA
+PJ059457	GCCCCCDY 	C30H44N8O12S5	868.1683	NA	PeJP	NA	NA
+PJ059458	GCCCCCMF 	C31H48N8O9S6	868.1869	NA	PeJP	NA	NA
+PJ059459	GCCCCDEH 	C29H44N10O13S4	868.1973	NA	PeJP	NA	NA
+PJ059460	GCDDDDDD 	C29H40N8O21S	868.2029	NA	PeJP	NA	NA
+PJ059461	GSCCCCMY 	C31H48N8O11S5	868.2046	NA	PeJP	NA	NA
+PJ059462	CCCCDHW 	C33H44N10O10S4	868.2125	NA	PeJP	NA	NA
+PJ059463	SSCCCDDH 	C29H44N10O15S3	868.215	NA	PeJP	NA	NA
+PJ059464	PTCCCCCH 	C30H48N10O10S5	868.2159	NA	PeJP	NA	NA
+MetaCyc04217	2,3-cis/trans-proanthocyanidin []	C45H40O18	868.221464	NA	metacyc	NA	NA
+PJ059465	SPCCDDDD 	C30H44N8O18S2	868.2215	NA	PeJP	NA	NA
+PJ059466	SSTCCCCY 	C31H48N8O13S4	868.2224	NA	PeJP	NA	NA
+PJ059467	GCCNNDDE 	C29H44N10O17S2	868.2328	NA	PeJP	NA	NA
+PJ059468	GSCCCEMH 	C30H48N10O12S4	868.2336	NA	PeJP	NA	NA
+PJ059469	CCCCQFY 	C35H48N8O10S4	868.2377	NA	PeJP	NA	NA
+PJ059470	GSDDDDDM 	C30H44N8O20S	868.2393	NA	PeJP	NA	NA
+PJ059471	GPCCDDEM 	C31H48N8O15S3	868.2402	NA	PeJP	NA	NA
+PJ059472	CCNNDDW 	C33H44N10O14S2	868.248	NA	PeJP	NA	NA
+PJ059473	SCCCMHW 	C34H48N10O9S4	868.2489	NA	PeJP	NA	NA
+PJ059474	SSCNNDDD 	C29H44N10O19S	868.2505	NA	PeJP	NA	NA
+PJ059475	SSSCCDMH 	C30H48N10O14S3	868.2514	NA	PeJP	NA	NA
+PJ059476	CCNMMMH 	C31H52N10O9S5	868.2523	NA	PeJP	NA	NA
+PJ059477	SCDDDEW 	C34H44N8O17S	868.2545	NA	PeJP	NA	NA
+PJ059478	TCDDDDW 	C34H44N8O17S	868.2546	NA	PeJP	NA	NA
+PJ059479	PCCDDMW 	C35H48N8O12S3	868.2554	NA	PeJP	NA	NA
+PJ059480	SSSDDDDE 	C30H44N8O22	868.2571	NA	PeJP	NA	NA
+PJ059481	NDDDEMM 	C31H48N8O17S2	868.2579	NA	PeJP	NA	NA
+PJ059482	SPPCCCEM 	C32H52N8O12S4	868.2588	NA	PeJP	NA	NA
+MJ096561	Aurantoside F 	C40H50Cl2N2O15	868.258824	NA	MeJP	NA	NA
+PJ059483	GCCNNNNM 	C29H48N12O13S3	868.2626	NA	PeJP	NA	NA
+PJ059484	GGGGGGGCCNM 	C29H48N12O13S3	868.2627	NA	PeJP	NA	NA
+PJ059485	GSPCCCNW 	C34H48N10O11S3	868.2667	NA	PeJP	NA	NA
+PJ059486	CDDDDMR 	C30H48N10O16S2	868.2692	NA	PeJP	NA	NA
+PJ059487	GSTCCMMH 	C31H52N10O11S4	868.27	NA	PeJP	NA	NA
+PJ059488	NDDDDEF 	C34H44N8O19	868.2723	NA	PeJP	NA	NA
+PJ059489	GDDDMMW 	C35H48N8O14S2	868.2732	NA	PeJP	NA	NA
+PJ059490	CCCCKFY 	C36H52N8O9S4	868.274	NA	PeJP	NA	NA
+PJ059491	PPPCCCCF 	C36H52N8O9S4	868.2741	NA	PeJP	NA	NA
+PJ059492	GSSDDEEM 	C31H48N8O19S	868.2757	NA	PeJP	NA	NA
+PJ059493	GSPCDEMM 	C32H52N8O14S3	868.2766	NA	PeJP	NA	NA
+PJ059494	CNDDEHH 	C32H44N12O15S	868.277	NA	PeJP	NA	NA
+PJ059495	GPPCCMMM 	C33H56N8O9S5	868.2774	NA	PeJP	NA	NA
+PJ059496	GSCCNDDR 	C29H48N12O15S2	868.2804	NA	PeJP	NA	NA
+PJ059497	GPCCCCQR 	C30H52N12O10S4	868.2813	NA	PeJP	NA	NA
+PJ059498	ACCCHFW 	C38H48N10O8S3	868.2819	NA	PeJP	NA	NA
+PJ059499	NNNDDDY 	C33H44N10O18	868.2835	NA	PeJP	NA	NA
+PJ059500	GGGGNDDDY 	C33H44N10O18	868.2836	NA	PeJP	NA	NA
+PJ059501	SCNNDMW 	C34H48N10O13S2	868.2844	NA	PeJP	NA	NA
+PJ059502	SSSNNDDM 	C30H48N10O18S	868.2869	NA	PeJP	NA	NA
+PJ059503	GDDDDFW 	C38H44N8O16	868.2876	NA	PeJP	NA	NA
+PJ059504	SSSSCMMH 	C31H52N10O13S3	868.2878	NA	PeJP	NA	NA
+PJ059505	CDEMWW 	C39H48N8O11S2	868.2884	NA	PeJP	NA	NA
+MJ096562	Perdeacyleuojaponin; 1-(3-Pyridinecarbonyl), 2,6,8,9,14-penta-Ac 	C42H48N2O18	868.290212	NA	MeJP	NA	NA
+MJ096563	Perdeacyleuojaponin; 8-(3-Pyridinecarbonyl), 1,2,6,9,14-penta-Ac 	C42H48N2O18	868.290212	NA	MeJP	NA	NA
+MJ096564	Perdeacyleuojaponin; 8-Epimer, 8-(3-pyridinecarbonyl), 1,2,6,9,14-penta-Ac 	C42H48N2O18	868.290212	NA	MeJP	NA	NA
+MJ096565	Perdeacylwilforine; 1-(3-Pyridinecarbonyl), 2,6,8,9,14-penta-Ac 	C42H48N2O18	868.290212	NA	MeJP	NA	NA
+MJ096566	Perdeacylwilforine; 2-(3-Pyridinecarbonyl), 1,6,8,9,14-penta-Ac 	C42H48N2O18	868.290212	NA	MeJP	NA	NA
+PJ059506	SSDDEMW 	C35H48N8O16S	868.2909	NA	PeJP	NA	NA
+PJ059507	SPCDMMW 	C36H52N8O11S3	868.2918	NA	PeJP	NA	NA
+PJ059508	GCDDHHW 	C36H44N12O12S	868.2923	NA	PeJP	NA	NA
+PJ059509	SSSSDEEE 	C31H48N8O21	868.2934	NA	PeJP	NA	NA
+PJ059510	SNEEEMM 	C32H52N8O16S2	868.2943	NA	PeJP	NA	NA
+PJ059511	GSSDDDHH 	C32H44N12O17	868.2948	NA	PeJP	NA	NA
+PJ059512	DDMYYY 	C40H48N6O14S	868.2949	NA	PeJP	NA	NA
+PJ059513	PNDMMMM 	C33H56N8O11S4	868.2952	NA	PeJP	NA	NA
+PJ059514	GSPCCEHH 	C33H48N12O12S2	868.2957	NA	PeJP	NA	NA
+PJ059515	GSSSSCNNN 	C29H48N12O17S	868.2981	NA	PeJP	NA	NA
+PJ059516	GGGGGSSSSCN 	C29H48N12O17S	868.2982	NA	PeJP	NA	NA
+PJ059517	CCNNEMR 	C30H52N12O12S3	868.299	NA	PeJP	NA	NA
+PJ059518	MMMMYY 	C38H56N6O9S4	868.2992	NA	PeJP	NA	NA
+PJ059519	GSCCQWW 	C38H48N10O10S2	868.2997	NA	PeJP	NA	NA
+PJ059520	GSSSCNEW 	C34H48N10O15S	868.3022	NA	PeJP	NA	NA
+PJ059521	GCNQMMW 	C35H52N10O10S3	868.303	NA	PeJP	NA	NA
+PJ059522	GGGGACMMW 	C35H52N10O10S3	868.3031	NA	PeJP	NA	NA
+PJ059523	GSSSSSNDE 	C30H48N10O20	868.3047	NA	PeJP	NA	NA
+PJ059524	SDDDMMR 	C31H52N10O15S2	868.3055	NA	PeJP	NA	NA
+PJ059525	GGGGGSSEMM 	C31H52N10O15S2	868.3056	NA	PeJP	NA	NA
+PJ059526	GPCDEYW 	C39H48N8O13S	868.3062	NA	PeJP	NA	NA
+PJ059527	PCCEMMR 	C32H56N10O10S4	868.3064	NA	PeJP	NA	NA
+PJ059528	CNNNMHH 	C32H48N14O11S2	868.3069	NA	PeJP	NA	NA
+PJ059529	GNEEEEY 	C35H48N8O18	868.3087	NA	PeJP	NA	NA
+PJ059530	GSEEMMW 	C36H52N8O13S2	868.3096	NA	PeJP	NA	NA
+PJ059531	CCCNDRR 	C29H52N14O11S3	868.3102	NA	PeJP	NA	NA
+PJ059532	GGCCCDRR 	C29H52N14O11S3	868.3103	NA	PeJP	NA	NA
+PJ059533	APCMMMW 	C37H56N8O8S4	868.3104	NA	PeJP	NA	NA
+PJ059534	SPCCHHW 	C37H48N12O9S2	868.3109	NA	PeJP	NA	NA
+PJ059535	GSSTEEEM 	C32H52N8O18S	868.3121	NA	PeJP	NA	NA
+PJ059536	AQEEMMM 	C33H56N8O13S3	868.3129	NA	PeJP	NA	NA
+PJ059537	CNNNNQY 	C33H48N12O14S	868.3134	NA	PeJP	NA	NA
+PJ059538	DMMFYY 	C41H52N6O11S2	868.3136	NA	PeJP	NA	NA
+PJ059539	GCCNMRW 	C34H52N12O9S3	868.3143	NA	PeJP	NA	NA
+MJ096567	Microsclerodermin C; De-N-aminocarbonyl 	C40H49ClN8O12	868.315846	NA	MeJP	NA	NA
+PJ059540	GSSCNDMR 	C30H52N12O14S2	868.3168	NA	PeJP	NA	NA
+PJ059541	SSSCNWW 	C38H48N10O12S	868.3174	NA	PeJP	NA	NA
+PJ059542	GPCCCCKR 	C31H56N12O9S4	868.3177	NA	PeJP	NA	NA
+PJ059543	SSSSSNDW 	C34H48N10O17	868.3199	NA	PeJP	NA	NA
+PJ059544	SSNNMMW 	C35H52N10O12S2	868.3208	NA	PeJP	NA	NA
+PJ059545	PCDYWW 	C43H48N8O10S	868.3214	NA	PeJP	NA	NA
+PJ059546	SSSSNQEM 	C31H52N10O17S	868.3233	NA	PeJP	NA	NA
+PJ059547	NEEEYW 	C39H48N8O15	868.3239	NA	PeJP	NA	NA
+PJ059548	GGEEEYW 	C39H48N8O15	868.324	NA	PeJP	NA	NA
+PJ059549	GDEMMMR 	C32H56N10O12S3	868.3242	NA	PeJP	NA	NA
+PJ059550	SCDDHHR 	C32H48N14O13S	868.3246	NA	PeJP	NA	NA
+PJ059551	GGGGGSTCHH 	C32H48N14O13S	868.3247	NA	PeJP	NA	NA
+PJ059552	SEMMWW 	C40H52N8O10S2	868.3248	NA	PeJP	NA	NA
+MJ096568	Virotoxin; [Ala1]Viroidin 	C36H52N8O15S	868.327283	NA	MeJP	NA	NA
+PJ059553	SSTEEMW 	C36H52N8O15S	868.3273	NA	PeJP	NA	NA
+PJ059554	DDFFYY 	C44H48N6O13	868.328	NA	PeJP	NA	NA
+PJ059555	AAEMMMW 	C37H56N8O10S3	868.3282	NA	PeJP	NA	NA
+PJ059556	GSDMHHW 	C37H48N12O11S	868.3287	NA	PeJP	NA	NA
+PJ059557	SSSTTEEE 	C32H52N8O20	868.3298	NA	PeJP	NA	NA
+PJ059558	SDKEEMM 	C33H56N8O15S2	868.3307	NA	PeJP	NA	NA
+PJ059559	GSSNNNNY 	C33H48N12O16	868.3311	NA	PeJP	NA	NA
+PJ059560	GGGSSNNNY 	C33H48N12O16	868.3312	NA	PeJP	NA	NA
+PJ059561	TEMYYY 	C41H52N6O13S	868.3313	NA	PeJP	NA	NA
+PJ059562	PTQMMMM 	C34H60N8O10S4	868.3316	NA	PeJP	NA	NA
+PJ059563	SSCCQRW 	C34H52N12O11S2	868.332	NA	PeJP	NA	NA
+PJ059564	GGGGGPPCMH 	C34H52N12O11S2	868.3321	NA	PeJP	NA	NA
+PJ059565	MMMFFY 	C42H56N6O8S3	868.3322	NA	PeJP	NA	NA
+PJ059566	CNNFWW 	C42H48N10O9S	868.3327	NA	PeJP	NA	NA
+PJ059567	SSSSCNER 	C30H52N12O16S	868.3345	NA	PeJP	NA	NA
+PJ059568	DDDRYW 	C38H48N10O14	868.3352	NA	PeJP	NA	NA
+PJ059569	SCNQMMR 	C31H56N12O11S3	868.3354	NA	PeJP	NA	NA
+PJ059570	GSCCKWW 	C39H52N10O9S2	868.336	NA	PeJP	NA	NA
+PJ059571	GCQMHFF 	C39H52N10O9S2	868.3361	NA	PeJP	NA	NA
+PJ059572	GSSSSQMW 	C35H52N10O14S	868.3385	NA	PeJP	NA	NA
+PJ059573	GGGSSSTMW 	C35H52N10O14S	868.3386	NA	PeJP	NA	NA
+PJ059574	GEEYWW 	C43H48N8O12	868.3392	NA	PeJP	NA	NA
+PJ059575	DMMMRW 	C36H56N10O9S3	868.3394	NA	PeJP	NA	NA
+PJ059576	PCMFWW 	C44H52N8O7S2	868.3401	NA	PeJP	NA	NA
+PJ059577	GSSSSSTQE 	C31H52N10O19	868.341	NA	PeJP	NA	NA
+PJ059578	GGGSSSSTTE 	C31H52N10O19	868.3411	NA	PeJP	NA	NA
+PJ059579	SSEEMMR 	C32H56N10O14S2	868.3419	NA	PeJP	NA	NA
+PJ059580	SSSSNNHH 	C32H48N14O15	868.3424	NA	PeJP	NA	NA
+MJ096569	Napsamycin B; 5'',6''-Dihydro 	C40H52N8O12S	868.342539	NA	MeJP	NA	NA
+PJ059581	GSPEMYW 	C40H52N8O12S	868.3426	NA	PeJP	NA	NA
+PJ059582	PTCMMMR 	C33H60N10O9S4	868.3428	NA	PeJP	NA	NA
+PJ059583	GCEMHHR 	C33H52N14O10S2	868.3433	NA	PeJP	NA	NA
+PJ059584	CLMMWW 	C41H56N8O7S3	868.3434	NA	PeJP	NA	NA
+PJ059585	TCHHWW 	C41H48N12O8S	868.3439	NA	PeJP	NA	NA
+PJ059586	GDKEEEY 	C36H52N8O17	868.3451	NA	PeJP	NA	NA
+PJ059587	ATTEMMW 	C37H56N8O12S2	868.3459	NA	PeJP	NA	NA
+PJ059588	GAAPEMMY 	C37H56N8O12S2	868.346	NA	PeJP	NA	NA
+PJ059589	SSSEHHW 	C37H48N12O13	868.3464	NA	PeJP	NA	NA
+PJ059590	DMFFFY 	C45H52N6O10S	868.3466	NA	PeJP	NA	NA
+PJ059591	QMMHHW 	C38H52N12O8S2	868.3473	NA	PeJP	NA	NA
+PJ059592	SSSSLEEM 	C33H56N8O17S	868.3484	NA	PeJP	NA	NA
+PJ059593	AKEEMMM 	C34H60N8O12S3	868.3493	NA	PeJP	NA	NA
+PJ059594	GSSSSCRW 	C34H52N12O13S	868.3498	NA	PeJP	NA	NA
+PJ059595	VMMYYY 	C42H56N6O10S2	868.35	NA	PeJP	NA	NA
+PJ059596	SNNYWW 	C42H48N10O11	868.3504	NA	PeJP	NA	NA
+PJ059597	ACCCKRW 	C35H56N12O8S3	868.3507	NA	PeJP	NA	NA
+PJ059598	GNMHHHH 	C35H48N16O9S	868.3511	NA	PeJP	NA	NA
+PJ059599	GSSSSSSDR 	C30H52N12O18	868.3523	NA	PeJP	NA	NA
+PJ059600	GSSSNMMR 	C31H56N12O13S2	868.3532	NA	PeJP	NA	NA
+PJ059601	NQQMYW 	C39H52N10O11S	868.3538	NA	PeJP	NA	NA
+PJ059602	EYWWW 	C47H48N8O9	868.3545	NA	PeJP	NA	NA
+PJ059603	SSSSSTQW 	C35H52N10O16	868.3563	NA	PeJP	NA	NA
+PJ059604	SSCQKMW 	C36H56N10O11S2	868.3572	NA	PeJP	NA	NA
+PJ059605	GNNNQHW 	C36H48N14O12	868.3576	NA	PeJP	NA	NA
+PJ059606	GGGNNQHW 	C36H48N14O12	868.3577	NA	PeJP	NA	NA
+PJ059607	SPMYWW 	C44H52N8O9S	868.3578	NA	PeJP	NA	NA
+PJ059608	CMHHRW 	C37H52N14O7S2	868.3585	NA	PeJP	NA	NA
+PJ059609	SSSSNKEM 	C32H56N10O16S	868.3597	NA	PeJP	NA	NA
+PJ059610	DKEEYW 	C40H52N8O14	868.3603	NA	PeJP	NA	NA
+PJ059611	ATEMMMR 	C33H60N10O11S3	868.3605	NA	PeJP	NA	NA
+PJ059612	GGSQKMMM 	C33H60N10O11S3	868.3606	NA	PeJP	NA	NA
+PJ059613	SSDMHHR 	C33H52N14O12S	868.361	NA	PeJP	NA	NA
+PJ059614	AAPMMYW 	C41H56N8O9S2	868.3612	NA	PeJP	NA	NA
+PJ059615	NEHHFW 	C41H48N12O10	868.3617	NA	PeJP	NA	NA
+PJ059616	TTTTEMW 	C37H56N8O14S	868.3637	NA	PeJP	NA	NA
+PJ059617	PTYYYY 	C45H52N6O12	868.3643	NA	PeJP	NA	NA
+PJ059618	GSSTCCRR 	C30H56N14O12S2	868.3644	NA	PeJP	NA	NA
+PJ059619	GTLMMMW 	C38H60N8O9S3	868.3646	NA	PeJP	NA	NA
+PJ059620	CNQRYW 	C38H52N12O10S	868.365	NA	PeJP	NA	NA
+PJ059621	GGGACRYW 	C38H52N12O10S	868.3651	NA	PeJP	NA	NA
+PJ059622	MMFFFF 	C46H56N6O7S2	868.3652	NA	PeJP	NA	NA
+PJ059623	STTTTTEE 	C33H56N8O19	868.3662	NA	PeJP	NA	NA
+PJ059624	TTKEEMM 	C34H60N8O14S2	868.3671	NA	PeJP	NA	NA
+PJ059625	SSNNERY 	C34H52N12O15	868.3675	NA	PeJP	NA	NA
+PJ059626	GGGGSSERY 	C34H52N12O15	868.3676	NA	PeJP	NA	NA
+PJ059627	PTKMMMM 	C35H64N8O9S4	868.3679	NA	PeJP	NA	NA
+PJ059628	GGVLMMMM 	C35H64N8O9S4	868.368	NA	PeJP	NA	NA
+PJ059629	SSCCKRW 	C35H56N12O10S2	868.3684	NA	PeJP	NA	NA
+PJ059630	SSQHHHH 	C35H48N16O11	868.3689	NA	PeJP	NA	NA
+PJ059631	SSSSSQMR 	C31H56N12O15S	868.3709	NA	PeJP	NA	NA
+PJ059632	SSTNQFW 	C39H52N10O13	868.3715	NA	PeJP	NA	NA
+PJ059633	SEERYW 	C39H52N10O13	868.3716	NA	PeJP	NA	NA
+PJ059634	SCNKMMR 	C32H60N12O10S3	868.3718	NA	PeJP	NA	NA
+PJ059635	APPMMHW 	C40H56N10O8S2	868.3724	NA	PeJP	NA	NA
+PJ059636	GSSSSKMW 	C36H56N10O13S	868.3749	NA	PeJP	NA	NA
+PJ059637	GGGGAKEMY 	C36H56N10O13S	868.375	NA	PeJP	NA	NA
+PJ059638	SVEYWW 	C44H52N8O11	868.3756	NA	PeJP	NA	NA
+PJ059639	ACCKKMW 	C37H60N10O8S3	868.3758	NA	PeJP	NA	NA
+PJ059640	GPCNHRW 	C37H52N14O9S	868.3763	NA	PeJP	NA	NA
+PJ059641	GHHFWW 	C45H48N12O7	868.3769	NA	PeJP	NA	NA
+PJ059642	GSSSSSTKE 	C32H56N10O18	868.3774	NA	PeJP	NA	NA
+PJ059643	TTTEMMR 	C33H60N10O13S2	868.3783	NA	PeJP	NA	NA
+PJ059644	GNQEEHR 	C33H52N14O14	868.3788	NA	PeJP	NA	NA
+PJ059645	LQEMYW 	C41H56N8O11S	868.379	NA	PeJP	NA	NA
+PJ059646	GLMMMMR 	C34H64N10O8S4	868.3792	NA	PeJP	NA	NA
+PJ059647	SVCMHHR 	C34H56N14O9S2	868.3796	NA	PeJP	NA	NA
+PJ059648	GCCQFRR 	C34H56N14O9S2	868.3797	NA	PeJP	NA	NA
+PJ059649	VTTQEEY 	C37H56N8O16	868.3814	NA	PeJP	NA	NA
+PJ059650	ATKEEEY 	C37H56N8O16	868.3815	NA	PeJP	NA	NA
+PJ059651	SSSSSCRR 	C30H56N14O14S	868.3821	NA	PeJP	NA	NA
+PJ059652	STTLMMW 	C38H60N8O11S2	868.3823	NA	PeJP	NA	NA
+PJ059653	GSSNRYW 	C38H52N12O12	868.3828	NA	PeJP	NA	NA
+PJ059654	VMFFYY 	C46H56N6O9S	868.383	NA	PeJP	NA	NA
+PJ059655	KMMHHW 	C39H56N12O7S2	868.3837	NA	PeJP	NA	NA
+PJ059656	SSTTTLEM 	C34H60N8O16S	868.3848	NA	PeJP	NA	NA
+PJ059657	SLKEMMM 	C35H64N8O11S3	868.3857	NA	PeJP	NA	NA
+PJ059658	DEMRRY 	C35H56N12O12S	868.3862	NA	PeJP	NA	NA
+PJ059659	NQQFFW 	C43H52N10O10	868.3868	NA	PeJP	NA	NA
+PJ059660	ACKHHHH 	C36H52N16O8S	868.3875	NA	PeJP	NA	NA
+MJ096570	Antibiotic PF 1015 	C46H60O16	868.388135	NA	MeJP	NA	NA
+PJ059661	GSSSSSTTR 	C31H56N12O17	868.3887	NA	PeJP	NA	NA
+PJ059662	GSSTCKMR 	C32H60N12O12S2	868.3895	NA	PeJP	NA	NA
+PJ059663	GNDDHRR 	C32H52N16O13	868.39	NA	PeJP	NA	NA
+PJ059664	VDMRYW 	C40H56N10O10S	868.3902	NA	PeJP	NA	NA
+PJ059665	APFYWW 	C48H52N8O8	868.3908	NA	PeJP	NA	NA
+PJ059666	SSSSSTKW 	C36H56N10O15	868.3927	NA	PeJP	NA	NA
+PJ059667	SSCKKMW 	C37H60N10O10S2	868.3936	NA	PeJP	NA	NA
+PJ059668	NQEHRW 	C37H52N14O11	868.394	NA	PeJP	NA	NA
+PJ059669	GGGAEHRW 	C37H52N14O11	868.3941	NA	PeJP	NA	NA
+PJ059670	ALMYWW 	C45H56N8O8S	868.3942	NA	PeJP	NA	NA
+PJ059671	SSSSDKKM 	C33H60N10O15S	868.3961	NA	PeJP	NA	NA
+PJ059672	GTTLEYW 	C41H56N8O13	868.3967	NA	PeJP	NA	NA
+PJ059673	STLMMMR 	C34H64N10O10S3	868.3969	NA	PeJP	NA	NA
+PJ059674	GSCQRRY 	C34H56N14O11S	868.3974	NA	PeJP	NA	NA
+PJ059675	AALMMFW 	C42H60N8O8S2	868.3976	NA	PeJP	NA	NA
+PJ059676	VNQHWW 	C42H52N12O9	868.3981	NA	PeJP	NA	NA
+PJ059677	GLKEEMY 	C38H60N8O13S	868.4001	NA	PeJP	NA	NA
+PJ059678	VVYYYY 	C46H56N6O11	868.4007	NA	PeJP	NA	NA
+PJ059679	PCLKMMF 	C39H64N8O8S3	868.401	NA	PeJP	NA	NA
+PJ059680	CNKRYW 	C39H56N12O9S	868.4014	NA	PeJP	NA	NA
+PJ059681	PPHFWW 	C47H52N10O7	868.4021	NA	PeJP	NA	NA
+C04394	Peptidoglycan(N-acetyl-D-glucosamine)	C34H60N8O18	868.4026	NA	KEGG	NA	NA
+C04395	Phospho-[DNA-directed RNA polymerase]	C34H60N8O18	868.4026	NA	KEGG	NA	NA
+C04397	Procollagen trans-3-hydroxy-L-proline	C6H8N2O3R2	868.4026	NA	KEGG	NA	NA
+C04398	Procollagen trans-4-hydroxy-L-proline	C6H8N2O3R2	868.4026	NA	KEGG	NA	NA
+PJ059682	SSSTLLMM 	C35H64N8O13S2	868.4035	NA	PeJP	NA	NA
+PJ059683	SSNDKRY 	C35H56N12O14	868.4039	NA	PeJP	NA	NA
+PJ059684	GGAAPPDER 	C35H56N12O14	868.404	NA	PeJP	NA	NA
+PJ059685	VVKMMMM 	C36H68N8O8S4	868.4043	NA	PeJP	NA	NA
+PJ059686	EMMFRR 	C36H60N12O9S2	868.4048	NA	PeJP	NA	NA
+PJ059687	GPEHHHR 	C36H52N16O10	868.4053	NA	PeJP	NA	NA
+PJ059688	PLMHWW 	C44H56N10O7S	868.4055	NA	PeJP	NA	NA
+PJ059689	SSSSSKMR 	C32H60N12O14S	868.4073	NA	PeJP	NA	NA
+PJ059690	GSTQKYW 	C40H56N10O12	868.4079	NA	PeJP	NA	NA
+PJ059691	GGGTTKYW 	C40H56N10O12	868.408	NA	PeJP	NA	NA
+PJ059692	TCCKKMR 	C33H64N12O9S3	868.4082	NA	PeJP	NA	NA
+PJ059693	SPCNHRR 	C33H56N16O10S	868.4086	NA	PeJP	NA	NA
+PJ059694	GGSPCHRR 	C33H56N16O10S	868.4087	NA	PeJP	NA	NA
+PJ059695	VMMFRW 	C41H60N10O7S2	868.4088	NA	PeJP	NA	NA
+MJ096571	Fevicordin F; 23,24-Dihydro, 22-ketone, 25-Ac, 2-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C43H64O18	868.409265	NA	MeJP	NA	NA
+PJ059696	GQHRWW 	C41H52N14O8	868.4093	NA	PeJP	NA	NA
+PJ059697	GTLEMRY 	C37H60N10O12S	868.4113	NA	PeJP	NA	NA
+PJ059698	TTLYWW 	C45H56N8O10	868.412	NA	PeJP	NA	NA
+MJ096572	Ergost-22-ene-3,4,6,8,15,28-hexol, 28-O-[2-O-Methyl-?-D-xylopyranosyl-(1?2)-?-D-galactofuranoside], 6-sulfate 	C40H68O18S	868.412636	NA	MeJP	NA	NA
+PJ059699	AAMHHFR 	C38H56N14O8S	868.4127	NA	PeJP	NA	NA
+PJ059700	SSSSSSSLK 	C33H60N10O17	868.4138	NA	PeJP	NA	NA
+PJ059701	GSSTKKMM 	C34H64N10O12S2	868.4147	NA	PeJP	NA	NA
+PJ059702	SSSNRRY 	C34H56N14O13	868.4152	NA	PeJP	NA	NA
+PJ059703	LKEMYW 	C42H60N8O10S	868.4153	NA	PeJP	NA	NA
+PJ059704	GAAPLMFY 	C42H60N8O10S	868.4154	NA	PeJP	NA	NA
+PJ059705	VFFFFY 	C50H56N6O8	868.416	NA	PeJP	NA	NA
+PJ059706	STLKEEY 	C38H60N8O15	868.4178	NA	PeJP	NA	NA
+PJ059707	GPPVLEEE 	C38H60N8O15	868.4179	NA	PeJP	NA	NA
+PJ059708	SPLKMMY 	C39H64N8O10S2	868.4187	NA	PeJP	NA	NA
+PJ059709	LEEHRW 	C39H56N12O11	868.4192	NA	PeJP	NA	NA
+PJ059710	PHHHRW 	C40H52N16O7	868.4205	NA	PeJP	NA	NA
+PJ059711	TTTTTTLM 	C35H64N8O15S	868.4212	NA	PeJP	NA	NA
+PJ059712	ASNKMRY 	C36H60N12O11S	868.4225	NA	PeJP	NA	NA
+PJ059713	GSQKMRY 	C36H60N12O11S	868.4226	NA	PeJP	NA	NA
+PJ059714	VLEHWW 	C44H56N10O9	868.4232	NA	PeJP	NA	NA
+PJ059715	GSQEHRR 	C33H56N16O12	868.4264	NA	PeJP	NA	NA
+PJ059716	TLMRYW 	C41H60N10O9S	868.4266	NA	PeJP	NA	NA
+PJ059717	ALFFWW 	C49H56N8O7	868.4272	NA	PeJP	NA	NA
+PJ059718	STTLERY 	C37H60N10O14	868.4291	NA	PeJP	NA	NA
+PJ059719	ACLLMRY 	C38H64N10O9S2	868.4299	NA	PeJP	NA	NA
+PJ059720	GVLMMRY 	C38H64N10O9S2	868.43	NA	PeJP	NA	NA
+PJ059721	NKEHRW 	C38H56N14O10	868.4304	NA	PeJP	NA	NA
+PJ059722	SSSTTKKM 	C34H64N10O14S	868.4324	NA	PeJP	NA	NA
+PJ059723	SSTLLYW 	C42H60N8O12	868.4331	NA	PeJP	NA	NA
+PJ059724	TCKKKMM 	C35H68N10O9S3	868.4333	NA	PeJP	NA	NA
+PJ059725	GSCKRRY 	C35H60N14O10S	868.4338	NA	PeJP	NA	NA
+PJ059726	PPQRWW 	C43H56N12O8	868.4344	NA	PeJP	NA	NA
+PJ059727	GAPPRWW 	C43H56N12O8	868.4345	NA	PeJP	NA	NA
+PJ059728	SVLKEMY 	C39H64N8O12S	868.4365	NA	PeJP	NA	NA
+PJ059729	APCKKHW 	C40H60N12O8S	868.4378	NA	PeJP	NA	NA
+PJ059730	SSTQKRY 	C36H60N12O13	868.4403	NA	PeJP	NA	NA
+PJ059731	GGGGGGGGAPLL 	C36H60N12O13	868.4404	NA	PeJP	NA	NA
+PJ059732	LMMRRY 	C37H64N12O8S2	868.4412	NA	PeJP	NA	NA
+PJ059733	SQHRRW 	C37H56N16O9	868.4417	NA	PeJP	NA	NA
+3627	NA	FRAEHPL	868.442	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ059734	GSTKKYW 	C41H60N10O11	868.4443	NA	PeJP	NA	NA
+PJ059735	GGPPVKEW 	C41H60N10O11	868.4444	NA	PeJP	NA	NA
+PJ059736	AAQMHRR 	C34H60N16O9S	868.445	NA	PeJP	NA	NA
+MJ096573	Furosta-5,20(22),25(27)-triene-1,3,26-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 26-O-?-D-glucopyranosyl 	C44H68O17	868.44565	NA	MeJP	NA	NA
+MJ096574	Luzonicoside A 	C44H68O17	868.44565	NA	MeJP	NA	NA
+MJ096575	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-O-?-L-arabinopyranoside] 	C44H68O17	868.44565	NA	MeJP	NA	NA
+PJ059737	GKHRWW 	C42H56N14O7	868.4457	NA	PeJP	NA	NA
+PJ059738	SSLLMRY 	C38H64N10O11S	868.4477	NA	PeJP	NA	NA
+PJ059739	PLKYYW 	C46H60N8O9	868.4484	NA	PeJP	NA	NA
+MJ096576	Cholestane-3,6,7,8,15,24-hexol, 24-O-[6-Deoxy-2,4-di-O-methyl-?-D-glucopyranosyl-(1?2)-6-deoxy-5-O-sulfo-?-D-galactofuranoside] 	C41H72O17S	868.449021	NA	MeJP	NA	NA
+3568	NA	QSEPKAIP	868.451	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ059740	SPPQERR 	C35H60N14O12	868.4515	NA	PeJP	NA	NA
+PJ059741	GGPPTERR 	C35H60N14O12	868.4516	NA	PeJP	NA	NA
+PJ059742	APLKMFY 	C43H64N8O9S	868.4517	NA	PeJP	NA	NA
+PJ059743	SSSSLLLY 	C39H64N8O14	868.4542	NA	PeJP	NA	NA
+PJ059744	ALLKMMY 	C40H68N8O9S2	868.4551	NA	PeJP	NA	NA
+PJ059745	GPPKERW 	C40H60N12O10	868.4556	NA	PeJP	NA	NA
+PJ059746	NMHRRR 	C33H60N18O8S	868.4563	NA	PeJP	NA	NA
+PJ059747	GSKKMRY 	C37H64N12O10S	868.4589	NA	PeJP	NA	NA
+PJ059748	VVVEMHR 	C37H64N12O10S	868.459	NA	PeJP	NA	NA
+PJ059749	GPPVKWW 	C45H60N10O8	868.4596	NA	PeJP	NA	NA
+MJ096577	3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[E-Cinnamoyl-(?2)-?-D-xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] 	C48H68O14	868.460906	NA	MeJP	NA	NA
+PJ059750	GSKEHRR 	C34H60N16O11	868.4628	NA	PeJP	NA	NA
+PJ059751	GLLLMHW 	C42H64N10O8S	868.463	NA	PeJP	NA	NA
+PJ059752	SSKKKEY 	C38H64N10O13	868.4655	NA	PeJP	NA	NA
+PJ059753	GKKKMMF 	C39H68N10O8S2	868.4663	NA	PeJP	NA	NA
+MJ096578	Cus 2 	C41H72O19	868.46678	NA	MeJP	NA	NA
+PJ059754	GPPTRRW 	C39H60N14O9	868.4668	NA	PeJP	NA	NA
+PJ059755	SPVLKYY 	C43H64N8O11	868.4695	NA	PeJP	NA	NA
+PJ059756	PPVNMRR 	C36H64N14O9S	868.4702	NA	PeJP	NA	NA
+PJ059757	PPKRWW 	C44H60N12O7	868.4708	NA	PeJP	NA	NA
+PJ059758	TTLLKMY 	C40H68N8O11S	868.4729	NA	PeJP	NA	NA
+PJ059759	GSTHRRR 	C33H60N18O10	868.474	NA	PeJP	NA	NA
+PJ059760	LMFFRR 	C41H64N12O7S	868.4742	NA	PeJP	NA	NA
+PJ059761	SSTKKRY 	C37H64N12O12	868.4767	NA	PeJP	NA	NA
+PJ059762	SKHRRW 	C38H60N16O8	868.478	NA	PeJP	NA	NA
+PJ059763	GLLHHHR 	C38H60N16O8	868.4781	NA	PeJP	NA	NA
+PJ059764	STLLLHW 	C42H64N10O10	868.4807	NA	PeJP	NA	NA
+PJ059765	GPPMRRR 	C35H64N16O8S	868.4814	NA	PeJP	NA	NA
+C08897	Dioscin	C45H72O16	868.482	NA	KEGG	NA	NA
+C08940	Desglucomusennin	C45H72O16	868.482	NA	KEGG	NA	NA
+MJ096579	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096580	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,4-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096581	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[2-O-Acetyl-?-D-xylopyranoside], 6-O-[6-O-acetyl-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096582	20,24-Epoxycycloartane-3,6,16,25-tetrol, 6-O-?-D-Glucopyranoside, 3-(2,3-di-O-acetyl-?-D-xylopyranoside) 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096583	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096584	Furosta-5,20(22)-diene-3,26-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096585	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096586	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096587	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096588	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096589	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096590	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+MJ096591	Spirost-5-en-3-ol, O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O16	868.482036	NA	MeJP	NA	NA
+PJ059766	ATKKKMY 	C39H68N10O10S	868.4841	NA	PeJP	NA	NA
+PJ059767	LLKFYW 	C47H64N8O8	868.4847	NA	PeJP	NA	NA
+PJ059768	PPPLLFW 	C47H64N8O8	868.4848	NA	PeJP	NA	NA
+PJ059769	SPPKERR 	C36H64N14O11	868.4879	NA	PeJP	NA	NA
+PJ059770	GAAPLERR 	C36H64N14O11	868.488	NA	PeJP	NA	NA
+PJ059771	PPLLLMW 	C44H68N8O8S	868.4881	NA	PeJP	NA	NA
+PJ059772	GPVLLLEE 	C40H68N8O13	868.4906	NA	PeJP	NA	NA
+PJ059773	SPPVKRW 	C41H64N12O9	868.492	NA	PeJP	NA	NA
+PJ059774	SLLLMHR 	C38H68N12O9S	868.4953	NA	PeJP	NA	NA
+MJ096592	Brevetoxin A; 44-Alcohol 	C49H72O13	868.497292	NA	MeJP	NA	NA
+PJ059775	GPVERRR 	C35H64N16O10	868.4992	NA	PeJP	NA	NA
+PJ059776	TTTKKKY 	C39H68N10O12	868.5018	NA	PeJP	NA	NA
+PJ059777	PLLLEER 	C39H68N10O12	868.5019	NA	PeJP	NA	NA
+PJ059778	AAPLRRW 	C40H64N14O8	868.5032	NA	PeJP	NA	NA
+PJ059779	PVLLLEW 	C44H68N8O10	868.5059	NA	PeJP	NA	NA
+PJ059780	PPCLKRR 	C37H68N14O8S	868.5066	NA	PeJP	NA	NA
+PJ059781	SPPVLLLM 	C41H72N8O10S	868.5093	NA	PeJP	NA	NA
+PJ059782	PERRRR 	C34H64N18O9	868.5104	NA	PeJP	NA	NA
+PJ059783	PVLQKER 	C38H68N12O11	868.5131	NA	PeJP	NA	NA
+PJ059784	PVRRRW 	C39H64N16O7	868.5144	NA	PeJP	NA	NA
+PJ059785	PPTLKKW 	C43H68N10O9	868.5171	NA	PeJP	NA	NA
+MJ096593	Dammar-24-ene-3,6,12,20-tetrol, 6-O-[2-Butenoyl-(?6)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C46H76O15	868.518421	NA	MeJP	NA	NA
+PJ059786	GPPVLKKM 	C40H72N10O9S	868.5205	NA	PeJP	NA	NA
+PJ059787	APLKERR 	C37H68N14O10	868.5243	NA	PeJP	NA	NA
+PJ059788	APTLLLLE 	C41H72N8O12	868.527	NA	PeJP	NA	NA
+PJ059789	KKKFRY 	C42H68N12O8	868.5283	NA	PeJP	NA	NA
+PJ059790	GPLLKRW 	C42H68N12O8	868.5284	NA	PeJP	NA	NA
+PJ059791	PPLKKMR 	C39H72N12O8S	868.5317	NA	PeJP	NA	NA
+PJ059792	APTLRRR 	C36H68N16O9	868.5356	NA	PeJP	NA	NA
+PJ059793	SSPPLLKK 	C40H72N10O11	868.5382	NA	PeJP	NA	NA
+PJ059794	AAPLLKKE 	C40H72N10O11	868.5383	NA	PeJP	NA	NA
+PJ059795	GPPLLLLF 	C45H72N8O9	868.5423	NA	PeJP	NA	NA
+PJ059796	GPLLLLLM 	C42H76N8O9S	868.5456	NA	PeJP	NA	NA
+PJ059797	PVLKKER 	C39H72N12O10	868.5495	NA	PeJP	NA	NA
+PJ059798	PVVLKKW 	C44H72N10O8	868.5535	NA	PeJP	NA	NA
+PJ059799	SPLLKRR 	C38H72N14O9	868.5607	NA	PeJP	NA	NA
+PJ059800	GVLLLLLE 	C42H76N8O11	868.5634	NA	PeJP	NA	NA
+MJ096594	Chimeramycin A; O-De-Ac 	C46H80N2O13	868.56604	NA	MeJP	NA	NA
+MJ096595	Tilmicosin 	C46H80N2O13	868.56604	NA	MeJP	NA	NA
+PJ059801	AVVLRRR 	C37H72N16O8	868.5719	NA	PeJP	NA	NA
+PJ059802	GVLLRRR 	C37H72N16O8	868.572	NA	PeJP	NA	NA
+PJ059803	LLLLLER 	C41H76N10O10	868.5746	NA	PeJP	NA	NA
+PJ059804	VLLLLLW 	C46H76N8O8	868.5787	NA	PeJP	NA	NA
+PJ059805	LLRRRR 	C36H72N18O7	868.5832	NA	PeJP	NA	NA
+PJ059806	VLLLQKR 	C40H76N12O9	868.5859	NA	PeJP	NA	NA
+PJ059807	ALLLKRR 	C39H76N14O8	868.5971	NA	PeJP	NA	NA
+PJ059808	ATLLLLLL 	C43H80N8O10	868.5998	NA	PeJP	NA	NA
+PJ059809	AALLLLKK 	C42H80N10O9	868.611	NA	PeJP	NA	NA
+PJ059810	VLLLKKR 	C41H80N12O8	868.6222	NA	PeJP	NA	NA
+PJ059811	PLKKKKK 	C41H80N12O8	868.6223	NA	PeJP	NA	NA
+7047	aurein 3,1	GLFDIVKKIAGHIAGSI	868.99895	MH2+	Inhouse_peptide	NA	peptide
+PJ059812	GCCCCNMH 	C29H47N11O10S5	869.2111	NA	PeJP	NA	NA
+PJ059813	GCCNDDDE 	C29H43N9O18S2	869.2168	NA	PeJP	NA	NA
+PJ059814	CCCCEFY 	C35H47N7O11S4	869.2217	NA	PeJP	NA	NA
+PJ059815	SSCCCCQH 	C29H47N11O12S4	869.2289	NA	PeJP	NA	NA
+PJ059816	CCNDDDW 	C33H43N9O15S2	869.232	NA	PeJP	NA	NA
+PJ059817	GGCCDDDW 	C33H43N9O15S2	869.2321	NA	PeJP	NA	NA
+PJ059818	SSCNDDDD 	C29H43N9O20S	869.2345	NA	PeJP	NA	NA
+PJ059819	GGSSCDDDD 	C29H43N9O20S	869.2346	NA	PeJP	NA	NA
+PJ059820	SPCCCNDE 	C30H47N9O15S3	869.2354	NA	PeJP	NA	NA
+PJ059821	CCDMMMH 	C31H51N9O10S5	869.2363	NA	PeJP	NA	NA
+PJ059822	SCCCEYY 	C35H47N7O13S3	869.2394	NA	PeJP	NA	NA
+PJ059823	DDDDEMM 	C31H47N7O18S2	869.2419	NA	PeJP	NA	NA
+PJ059824	GSSSSCCCH 	C29H47N11O14S3	869.2466	NA	PeJP	NA	NA
+PJ059825	GGGCCNNDM 	C29H47N11O14S3	869.2467	NA	PeJP	NA	NA
+PJ059826	ACCCCCKH 	C30H51N11O9S5	869.2475	NA	PeJP	NA	NA
+PJ059827	GSPCCCDW 	C34H47N9O12S3	869.2507	NA	PeJP	NA	NA
+PJ059828	GSCNDDEM 	C30H47N9O17S2	869.2532	NA	PeJP	NA	NA
+PJ059829	GPCCNDMM 	C31H51N9O12S4	869.254	NA	PeJP	NA	NA
+PJ059830	GAAPCCCDM 	C31H51N9O12S4	869.2541	NA	PeJP	NA	NA
+PJ059831	CCCMHHH 	C32H47N13O8S4	869.2554	NA	PeJP	NA	NA
+PJ059832	DDDDDEF 	C34H43N7O20	869.2563	NA	PeJP	NA	NA
+PJ059833	GCCMMYY 	C36H51N7O10S4	869.2581	NA	PeJP	NA	NA
+PJ059834	CDDDEHH 	C32H43N11O16S	869.261	NA	PeJP	NA	NA
+PJ059835	CCCNNQW 	C33H47N11O11S3	869.2619	NA	PeJP	NA	NA
+PJ059836	GSCCDDDR 	C29H47N11O16S2	869.2644	NA	PeJP	NA	NA
+PJ059837	GPCCCCER 	C30H51N11O11S4	869.2653	NA	PeJP	NA	NA
+PJ059838	NNDDDDY 	C33H43N9O19	869.2676	NA	PeJP	NA	NA
+PJ059839	SCNDDMW 	C34H47N9O14S2	869.2684	NA	PeJP	NA	NA
+PJ059840	PCCCQMW 	C35H51N9O9S4	869.2693	NA	PeJP	NA	NA
+PJ059841	SSSNDDDM 	C30H47N9O19S	869.2709	NA	PeJP	NA	NA
+PJ059842	NNDDMMM 	C31H51N9O14S3	869.2718	NA	PeJP	NA	NA
+PJ059843	GCCDFYY 	C39H47N7O12S2	869.2724	NA	PeJP	NA	NA
+PJ059844	SCMMMMH 	C32H55N9O9S5	869.2727	NA	PeJP	NA	NA
+PJ059845	GPCCCNHH 	C32H47N13O10S3	869.2731	NA	PeJP	NA	NA
+PJ059846	GGGPCCCHH 	C32H47N13O10S3	869.2732	NA	PeJP	NA	NA
+PJ059847	PDDDDMY 	C35H47N7O17S	869.275	NA	PeJP	NA	NA
+PJ059848	STCCMYY 	C36H51N7O12S3	869.2758	NA	PeJP	NA	NA
+PJ059849	SDEEEMM 	C32H51N7O17S2	869.2783	NA	PeJP	NA	NA
+PJ059850	PDDMMMM 	C33H55N7O12S4	869.2792	NA	PeJP	NA	NA
+PJ059851	GSSCCNNW 	C33H47N11O13S2	869.2797	NA	PeJP	NA	NA
+PJ059852	PCCCCRW 	C34H51N11O8S4	869.2805	NA	PeJP	NA	NA
+PJ059853	GSSSSCNND 	C29H47N11O18S	869.2822	NA	PeJP	NA	NA
+PJ059854	CCNDEMR 	C30H51N11O13S3	869.283	NA	PeJP	NA	NA
+PJ059855	GGGGGGGSCMM 	C30H51N11O13S3	869.2831	NA	PeJP	NA	NA
+PJ059856	GSCCEWW 	C38H47N9O11S2	869.2837	NA	PeJP	NA	NA
+PJ059857	GSSSCDEW 	C34H47N9O16S	869.2862	NA	PeJP	NA	NA
+PJ059858	GCNEMMW 	C35H51N9O11S3	869.2871	NA	PeJP	NA	NA
+PJ059859	GSSSSSDDE 	C30H47N9O21	869.2887	NA	PeJP	NA	NA
+PJ059860	ATTCCDQE 	C31H51N9O16S2	869.2895	NA	PeJP	NA	NA
+PJ059861	GSSNDEMM 	C31H51N9O16S2	869.2896	NA	PeJP	NA	NA
+PJ059862	GSCDYYY 	C39H47N7O14S	869.2902	NA	PeJP	NA	NA
+PJ059863	GSPCNMMM 	C32H55N9O11S4	869.2904	NA	PeJP	NA	NA
+PJ059864	CNNDMHH 	C32H47N13O12S2	869.2909	NA	PeJP	NA	NA
+PJ059865	GCCMFFY 	C40H51N7O9S3	869.2911	NA	PeJP	NA	NA
+PJ059866	GDEEEEY 	C35H47N7O19	869.2927	NA	PeJP	NA	NA
+PJ059867	PDDDMMF 	C36H51N7O14S2	869.2936	NA	PeJP	NA	NA
+PJ059868	CCCDDRR 	C29H51N13O12S3	869.2943	NA	PeJP	NA	NA
+PJ059869	AEEEMMM 	C33H55N7O14S3	869.2969	NA	PeJP	NA	NA
+PJ059870	VDDEMMM 	C33H55N7O14S3	869.297	NA	PeJP	NA	NA
+PJ059871	CNNNNEY 	C33H47N11O15S	869.2974	NA	PeJP	NA	NA
+PJ059872	GCCDMRW 	C34H51N11O10S3	869.2983	NA	PeJP	NA	NA
+PJ059873	SCCWWW 	C42H47N9O8S2	869.2989	NA	PeJP	NA	NA
+PJ059874	GSSCDDMR 	C30H51N11O15S2	869.3008	NA	PeJP	NA	NA
+C04923	1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha-	C32H55NO26	869.3012	NA	KEGG	NA	NA
+C04924	N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D-	C50H86N3O26R	869.3012	NA	KEGG	NA	NA
+C04925	N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-	C53H92N3O28R	869.3012	NA	KEGG	NA	NA
+C04926	alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N-	C36H58N3O27R	869.3012	NA	KEGG	NA	NA
+C04927	N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-	C67H113N4O39R	869.3012	NA	KEGG	NA	NA
+C04930	N-Acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,3-(N-acetyl-	C30H50N3O21R	869.3012	NA	KEGG	NA	NA
+MetaCyc04218	1,3-&alpha;-D-mannosyl-1,2-(N-acetyl-&alpha;-D-glucosaminyl-&alpha;-D-mannosyl)-1,2-&alpha;-D-mannosyl-D-mannose []	C32H55N1O26	869.301231	NA	metacyc	NA	NA
+PJ059875	SSSCDWW 	C38H47N9O13S	869.3014	NA	PeJP	NA	NA
+PJ059876	GGGCDEFW 	C38H47N9O13S	869.3015	NA	PeJP	NA	NA
+PJ059877	GPTCCCMR 	C31H55N11O10S4	869.3017	NA	PeJP	NA	NA
+PJ059878	CNMMWW 	C39H51N9O8S3	869.3023	NA	PeJP	NA	NA
+PJ059879	SSSSSDDW 	C34H47N9O18	869.3039	NA	PeJP	NA	NA
+PJ059880	GGGGSDEEY 	C34H47N9O18	869.304	NA	PeJP	NA	NA
+PJ059881	SSNDMMW 	C35H51N9O13S2	869.3048	NA	PeJP	NA	NA
+PJ059882	PCCCKMW 	C36H55N9O8S4	869.3057	NA	PeJP	NA	NA
+PJ059883	ACCNHHW 	C36H47N13O9S2	869.3061	NA	PeJP	NA	NA
+PJ059884	GCCQHHW 	C36H47N13O9S2	869.3062	NA	PeJP	NA	NA
+PJ059885	SSSSNEEM 	C31H51N9O18S	869.3073	NA	PeJP	NA	NA
+PJ059886	DEEEYW 	C39H47N7O16	869.308	NA	PeJP	NA	NA
+PJ059887	SNQEMMM 	C32H55N9O13S3	869.3082	NA	PeJP	NA	NA
+PJ059888	GSSCNEHH 	C32H47N13O14S	869.3087	NA	PeJP	NA	NA
+PJ059889	CQMYYY 	C40H51N7O11S2	869.3088	NA	PeJP	NA	NA
+PJ059890	SPDEEMY 	C36H51N7O16S	869.3113	NA	PeJP	NA	NA
+PJ059891	SSSCCNNR 	C29H51N13O14S2	869.312	NA	PeJP	NA	NA
+PJ059892	PPCEMMY 	C37H55N7O11S3	869.3122	NA	PeJP	NA	NA
+PJ059893	GCNNNYW 	C37H47N11O12S	869.3127	NA	PeJP	NA	NA
+PJ059894	TTEEEMM 	C33H55N7O16S2	869.3147	NA	PeJP	NA	NA
+PJ059895	GSSNNNDY 	C33H47N11O17	869.3152	NA	PeJP	NA	NA
+PJ059896	PTEMMMM 	C34H59N7O11S4	869.3156	NA	PeJP	NA	NA
+PJ059897	SSCCERW 	C34H51N11O12S2	869.316	NA	PeJP	NA	NA
+PJ059898	GGPCCDRY 	C34H51N11O12S2	869.3161	NA	PeJP	NA	NA
+PJ059899	CNDFWW 	C42H47N9O10S	869.3167	NA	PeJP	NA	NA
+PJ059900	PCCHHHH 	C35H47N15O8S2	869.3174	NA	PeJP	NA	NA
+PJ059901	SSSSCDER 	C30H51N11O17S	869.3185	NA	PeJP	NA	NA
+PJ059902	GGGGGSSSSSM 	C30H51N11O17S	869.3186	NA	PeJP	NA	NA
+PJ059903	GSNDEYW 	C38H47N9O15	869.3192	NA	PeJP	NA	NA
+PJ059904	SCNEMMR 	C31H55N11O12S3	869.3194	NA	PeJP	NA	NA
+PJ059905	GSTCMWW 	C39H51N9O10S2	869.3201	NA	PeJP	NA	NA
+PJ059906	GSSSSEMW 	C35H51N9O15S	869.3226	NA	PeJP	NA	NA
+PJ059907	GSQMMMW 	C36H55N9O10S3	869.3234	NA	PeJP	NA	NA
+PJ059908	GGGAPCMMF 	C36H55N9O10S3	869.3235	NA	PeJP	NA	NA
+PJ059909	SSCNHHW 	C36H47N13O11S	869.3239	NA	PeJP	NA	NA
+PJ059910	GCCFFFF 	C44H51N7O8S2	869.3241	NA	PeJP	NA	NA
+PJ059911	GSSSSSTEE 	C31H51N9O20	869.3251	NA	PeJP	NA	NA
+PJ059912	GSSTQEMM 	C32H55N9O15S2	869.3259	NA	PeJP	NA	NA
+PJ059913	SSSSNDHH 	C32H47N13O16	869.3264	NA	PeJP	NA	NA
+PJ059914	EEEMFW 	C40H51N7O13S	869.3266	NA	PeJP	NA	NA
+PJ059915	AQQMMMM 	C33H59N9O10S4	869.3268	NA	PeJP	NA	NA
+PJ059916	CCNNNFR 	C33H51N13O11S2	869.3273	NA	PeJP	NA	NA
+PJ059917	ATEEEEY 	C36H51N7O18	869.3291	NA	PeJP	NA	NA
+PJ059918	APEEMMY 	C37H55N7O13S2	869.33	NA	PeJP	NA	NA
+PJ059919	SPNDDHW 	C37H47N11O14	869.3304	NA	PeJP	NA	NA
+PJ059920	SCCDMRR 	C30H55N13O11S3	869.3306	NA	PeJP	NA	NA
+PJ059921	TCCCERR 	C30H55N13O11S3	869.3307	NA	PeJP	NA	NA
+PJ059922	EMMHHW 	C38H51N11O9S2	869.3313	NA	PeJP	NA	NA
+PJ059923	SLEEMMM 	C34H59N7O13S3	869.3333	NA	PeJP	NA	NA
+PJ059924	GNDDMRY 	C34H51N11O14S	869.3338	NA	PeJP	NA	NA
+PJ059925	PVMMMMM 	C35H63N7O8S5	869.3342	NA	PeJP	NA	NA
+PJ059926	SNDYWW 	C42H47N9O12	869.3344	NA	PeJP	NA	NA
+PJ059927	GGSDYWW 	C42H47N9O12	869.3345	NA	PeJP	NA	NA
+PJ059928	GSCMMRW 	C35H55N11O9S3	869.3347	NA	PeJP	NA	NA
+PJ059929	ACEHHHH 	C35H47N15O10S	869.3351	NA	PeJP	NA	NA
+PJ059930	GDMHHHH 	C35H47N15O10S	869.3352	NA	PeJP	NA	NA
+PJ059931	CMHFFW 	C43H51N9O7S2	869.3353	NA	PeJP	NA	NA
+PJ059932	SSSSSSSNQ 	C30H51N11O19	869.3363	NA	PeJP	NA	NA
+PJ059933	GSSSDMMR 	C31H55N11O14S2	869.3372	NA	PeJP	NA	NA
+PJ059934	GSNNNNNH 	C31H47N15O15	869.3376	NA	PeJP	NA	NA
+PJ059935	GGGGGSNNNH 	C31H47N15O15	869.3377	NA	PeJP	NA	NA
+PJ059936	SSSSMWW 	C39H51N9O12S	869.3378	NA	PeJP	NA	NA
+PJ059937	GNMMMMR 	C32H59N11O9S4	869.338	NA	PeJP	NA	NA
+PJ059938	GGGMMMMR 	C32H59N11O9S4	869.3381	NA	PeJP	NA	NA
+PJ059939	SCCQHHR 	C32H51N15O10S2	869.3385	NA	PeJP	NA	NA
+PJ059940	SSSSSTEW 	C35H51N9O17	869.3403	NA	PeJP	NA	NA
+PJ059941	SSTQMMW 	C36H55N9O12S2	869.3412	NA	PeJP	NA	NA
+PJ059942	GNNNEHW 	C36H47N13O13	869.3417	NA	PeJP	NA	NA
+PJ059943	CQFFYY 	C44H51N7O10S	869.3418	NA	PeJP	NA	NA
+PJ059944	GCCKHHW 	C37H51N13O8S2	869.3425	NA	PeJP	NA	NA
+PJ059945	SSSSDKEM 	C32H55N9O17S	869.3437	NA	PeJP	NA	NA
+PJ059946	SSSTYYY 	C40H51N7O15	869.3443	NA	PeJP	NA	NA
+PJ059947	GPEEEFY 	C40H51N7O15	869.3444	NA	PeJP	NA	NA
+PJ059948	SNKEMMM 	C33H59N9O12S3	869.3446	NA	PeJP	NA	NA
+PJ059949	SCNNNRY 	C33H51N13O13S	869.345	NA	PeJP	NA	NA
+PJ059950	GGGGGGSCRY 	C33H51N13O13S	869.3451	NA	PeJP	NA	NA
+PJ059951	CKMYYY 	C41H55N7O10S2	869.3452	NA	PeJP	NA	NA
+PJ059952	DEHHFW 	C41H47N11O11	869.3457	NA	PeJP	NA	NA
+PJ059953	GLEEEMY 	C37H55N7O15S	869.3477	NA	PeJP	NA	NA
+PJ059954	PPTMMMY 	C38H59N7O10S3	869.3486	NA	PeJP	NA	NA
+PJ059955	CNERYW 	C38H51N11O11S	869.3491	NA	PeJP	NA	NA
+PJ059956	ACCMMRR 	C31H59N13O8S4	869.3493	NA	PeJP	NA	NA
+PJ059957	GSSSNQQY 	C34H51N11O16	869.3515	NA	PeJP	NA	NA
+PJ059958	SSNDERY 	C34H51N11O16	869.3516	NA	PeJP	NA	NA
+PJ059959	VVEMMMM 	C35H63N7O10S4	869.352	NA	PeJP	NA	NA
+PJ059960	SSTCMRW 	C35H55N11O11S2	869.3524	NA	PeJP	NA	NA
+PJ059961	GGGGGGCKMF 	C35H55N11O11S2	869.3525	NA	PeJP	NA	NA
+PJ059962	SSEHHHH 	C35H47N15O12	869.3529	NA	PeJP	NA	NA
+PJ059963	GQMYWW 	C43H51N9O9S	869.3531	NA	PeJP	NA	NA
+PJ059964	SSSSSEMR 	C31H55N11O16S	869.3549	NA	PeJP	NA	NA
+PJ059965	GSTQEYW 	C39H51N9O14	869.3556	NA	PeJP	NA	NA
+PJ059966	SSQMMMR 	C32H59N11O11S3	869.3558	NA	PeJP	NA	NA
+PJ059967	GSSSCHHR 	C32H51N15O12S	869.3563	NA	PeJP	NA	NA
+PJ059968	APCCKYW 	C40H55N9O9S2	869.3564	NA	PeJP	NA	NA
+PJ059969	GAQMMFW 	C40H55N9O9S2	869.3565	NA	PeJP	NA	NA
+PJ059970	NNNHWW 	C40H47N13O10	869.3569	NA	PeJP	NA	NA
+PJ059971	GSSTTTMW 	C36H55N9O14S	869.3589	NA	PeJP	NA	NA
+PJ059972	GNKEEMY 	C36H55N9O14S	869.359	NA	PeJP	NA	NA
+PJ059973	PEEFYW 	C44H51N7O12	869.3596	NA	PeJP	NA	NA
+PJ059974	GSKMMMW 	C37H59N9O9S3	869.3598	NA	PeJP	NA	NA
+PJ059975	GPCDHRW 	C37H51N13O10S	869.3603	NA	PeJP	NA	NA
+PJ059976	SSSSSSSLE 	C32H55N9O19	869.3614	NA	PeJP	NA	NA
+PJ059977	GSSTKEMM 	C33H59N9O14S2	869.3623	NA	PeJP	NA	NA
+PJ059978	GNEEEHR 	C33H51N13O15	869.3628	NA	PeJP	NA	NA
+PJ059979	LEEMYW 	C41H55N7O12S	869.363	NA	PeJP	NA	NA
+PJ059980	AQKMMMM 	C34H63N9O9S4	869.3632	NA	PeJP	NA	NA
+PJ059981	GCCEFRR 	C34H55N13O10S2	869.3637	NA	PeJP	NA	NA
+PJ059982	GCRYWW 	C42H51N11O8S	869.3643	NA	PeJP	NA	NA
+PJ059983	STLEEEY 	C37H55N7O17	869.3655	NA	PeJP	NA	NA
+PJ059984	SPLEMMY 	C38H59N7O12S2	869.3663	NA	PeJP	NA	NA
+PJ059985	VVDEMMF 	C38H59N7O12S2	869.3664	NA	PeJP	NA	NA
+PJ059986	GSSDRYW 	C38H51N11O13	869.3668	NA	PeJP	NA	NA
+PJ059987	SSCMMRR 	C31H59N13O10S3	869.367	NA	PeJP	NA	NA
+PJ059988	CQMFRW 	C39H55N11O8S2	869.3677	NA	PeJP	NA	NA
+PJ059989	GSQEMRY 	C35H55N11O13S	869.3702	NA	PeJP	NA	NA
+PJ059990	STQYWW 	C43H51N9O11	869.3708	NA	PeJP	NA	NA
+PJ059991	GGGAEFFW 	C43H51N9O11	869.3709	NA	PeJP	NA	NA
+PJ059992	ALMMMHH 	C36H59N11O8S3	869.3711	NA	PeJP	NA	NA
+PJ059993	GCNHHFR 	C36H51N15O9S	869.3715	NA	PeJP	NA	NA
+PJ059994	SSSSSSSNK 	C31H55N11O18	869.3727	NA	PeJP	NA	NA
+PJ059995	GSSTTMMR 	C32H59N11O13S2	869.3736	NA	PeJP	NA	NA
+PJ059996	GDDDHRR 	C32H51N15O14	869.374	NA	PeJP	NA	NA
+PJ059997	GGGGGGSEHR 	C32H51N15O14	869.3741	NA	PeJP	NA	NA
+PJ059998	NKEMYW 	C40H55N9O11S	869.3742	NA	PeJP	NA	NA
+PJ059999	ACKMMMR 	C33H63N11O8S4	869.3744	NA	PeJP	NA	NA
+PJ060000	SCCKHHR 	C33H55N15O9S2	869.3749	NA	PeJP	NA	NA
+PJ060001	SSSTTTTW 	C36H55N9O16	869.3767	NA	PeJP	NA	NA
+PJ060002	SSTKMMW 	C37H59N9O11S2	869.3776	NA	PeJP	NA	NA
+PJ060003	GSQQQHW 	C37H51N13O12	869.378	NA	PeJP	NA	NA
+PJ060004	NEEHRW 	C37H51N13O12	869.3781	NA	PeJP	NA	NA
+PJ060005	CKFFYY 	C45H55N7O9S	869.3782	NA	PeJP	NA	NA
+PJ060006	CCFRRW 	C38H55N13O7S2	869.3789	NA	PeJP	NA	NA
+PJ060007	SSSTTKEM 	C33H59N9O16S	869.3801	NA	PeJP	NA	NA
+PJ060008	GPLEEYY 	C41H55N7O14	869.3807	NA	PeJP	NA	NA
+PJ060009	SDKKMMM 	C34H63N9O11S3	869.3809	NA	PeJP	NA	NA
+PJ060010	GATTKMMM 	C34H63N9O11S3	869.381	NA	PeJP	NA	NA
+PJ060011	GSCERRY 	C34H55N13O12S	869.3814	NA	PeJP	NA	NA
+PJ060012	GGGGGGGALMH 	C34H55N13O12S	869.3815	NA	PeJP	NA	NA
+PJ060013	PPCLMFY 	C42H59N7O9S2	869.3816	NA	PeJP	NA	NA
+PJ060014	VNEHWW 	C42H51N11O10	869.3821	NA	PeJP	NA	NA
+PJ060015	SVLEEMY 	C38H59N7O14S	869.3841	NA	PeJP	NA	NA
+PJ060016	PVVMMMY 	C39H63N7O9S3	869.385	NA	PeJP	NA	NA
+PJ060017	SQMRYW 	C39H55N11O10S	869.3854	NA	PeJP	NA	NA
+PJ060018	PPPCDRW 	C39H55N11O10S	869.3855	NA	PeJP	NA	NA
+PJ060019	GQFFWW 	C47H51N9O8	869.3861	NA	PeJP	NA	NA
+PJ060020	SSTQERY 	C35H55N11O15	869.3879	NA	PeJP	NA	NA
+PJ060021	GGGGGSSTKY 	C35H55N11O15	869.388	NA	PeJP	NA	NA
+PJ060022	TLLMMMM 	C36H67N7O9S4	869.3883	NA	PeJP	NA	NA
+PJ060023	AAQMMRY 	C36H59N11O10S2	869.3888	NA	PeJP	NA	NA
+PJ060024	GSNNHRW 	C36H51N15O11	869.3893	NA	PeJP	NA	NA
+PJ060025	GKMYWW 	C44H55N9O8S	869.3895	NA	PeJP	NA	NA
+PJ060026	SSSTTTMR 	C32H59N11O15S	869.3913	NA	PeJP	NA	NA
+PJ060027	ATTTQYW 	C40H55N9O13	869.3919	NA	PeJP	NA	NA
+PJ060028	GSTKEYW 	C40H55N9O13	869.392	NA	PeJP	NA	NA
+PJ060029	SSKMMMR 	C33H63N11O10S3	869.3922	NA	PeJP	NA	NA
+PJ060030	ANNQMHR 	C33H55N15O11S	869.3926	NA	PeJP	NA	NA
+PJ060031	SPCDHRR 	C33H55N15O11S	869.3927	NA	PeJP	NA	NA
+PJ060032	QKMMFW 	C41H59N9O8S2	869.3928	NA	PeJP	NA	NA
+PJ060033	GEHRWW 	C41H51N13O9	869.3933	NA	PeJP	NA	NA
+PJ060034	GDKKEMY 	C37H59N9O13S	869.3953	NA	PeJP	NA	NA
+PJ060035	GPPPDKEM 	C37H59N9O13S	869.3954	NA	PeJP	NA	NA
+PJ060036	PLEYYW 	C45H55N7O11	869.396	NA	PeJP	NA	NA
+PJ060037	SCRRYW 	C38H55N13O9S	869.3967	NA	PeJP	NA	NA
+PJ060038	GVHWWW 	C46H51N11O7	869.3973	NA	PeJP	NA	NA
+PJ060039	SSSSSTTTL 	C33H59N9O18	869.3978	NA	PeJP	NA	NA
+PJ060040	SSSSLKMM 	C34H63N9O13S2	869.3987	NA	PeJP	NA	NA
+PJ060041	SSSDRRY 	C34H55N13O14	869.3992	NA	PeJP	NA	NA
+PJ060042	SPPLMYY 	C42H59N7O11S	869.3994	NA	PeJP	NA	NA
+PJ060043	AKKMMMM 	C35H67N9O8S4	869.3996	NA	PeJP	NA	NA
+PJ060044	NMMRRY 	C35H59N13O9S2	869.4	NA	PeJP	NA	NA
+PJ060045	GGMMRRY 	C35H59N13O9S2	869.4001	NA	PeJP	NA	NA
+PJ060046	LMHHFW 	C43H55N11O7S	869.4007	NA	PeJP	NA	NA
+PJ060047	ALLEMMY 	C39H63N7O11S2	869.4027	NA	PeJP	NA	NA
+PJ060048	GSTTRYW 	C39H55N11O12	869.4032	NA	PeJP	NA	NA
+PJ060049	GCNQHRR 	C32H55N17O10S	869.4039	NA	PeJP	NA	NA
+PJ060050	CKMFRW 	C40H59N11O7S2	869.4041	NA	PeJP	NA	NA
+PJ060051	GVHHHHF 	C40H51N15O8	869.4046	NA	PeJP	NA	NA
+PJ060052	GSKEMRY 	C36H59N11O12S	869.4066	NA	PeJP	NA	NA
+PJ060053	STKYWW 	C44H55N9O10	869.4072	NA	PeJP	NA	NA
+PJ060054	HRWWW 	C45H51N13O6	869.4086	NA	PeJP	NA	NA
+PJ060055	SSSCCKKK 	C33H63N11O12S2	869.4099	NA	PeJP	NA	NA
+PJ060056	GSEEHRR 	C33H55N15O13	869.4104	NA	PeJP	NA	NA
+PJ060057	GGGGGGGGAAPR 	C33H55N15O13	869.4105	NA	PeJP	NA	NA
+PJ060058	DKKMYW 	C41H59N9O10S	869.4106	NA	PeJP	NA	NA
+PJ060059	APCMHRR 	C34H59N15O8S2	869.4113	NA	PeJP	NA	NA
+PJ060060	SSKKEEY 	C37H59N9O15	869.4131	NA	PeJP	NA	NA
+PJ060061	GLQKMMY 	C38H63N9O10S2	869.414	NA	PeJP	NA	NA
+PJ060062	DKEHRW 	C38H55N13O11	869.4144	NA	PeJP	NA	NA
+PJ060063	GGGGSPPRW 	C38H55N13O11	869.4145	NA	PeJP	NA	NA
+PJ060064	PPCLFFF 	C46H59N7O8S	869.4146	NA	PeJP	NA	NA
+PJ060065	HHHHFR 	C39H51N17O7	869.4158	NA	PeJP	NA	NA
+PJ060066	STTTTTKM 	C34H63N9O15S	869.4165	NA	PeJP	NA	NA
+PJ060067	SPVLEYY 	C42H59N7O13	869.4171	NA	PeJP	NA	NA
+PJ060068	TTKKMMM 	C35H67N9O10S3	869.4173	NA	PeJP	NA	NA
+PJ060069	GSTMRRY 	C35H59N13O11S	869.4178	NA	PeJP	NA	NA
+PJ060070	PVVMMFF 	C43H63N7O8S2	869.418	NA	PeJP	NA	NA
+PJ060071	PPERWW 	C43H55N11O9	869.4185	NA	PeJP	NA	NA
+PJ060072	TTLLEMY 	C39H63N7O13S	869.4205	NA	PeJP	NA	NA
+PJ060073	VVLMMMF 	C40H67N7O8S3	869.4214	NA	PeJP	NA	NA
+PJ060074	SSNNHRR 	C32H55N17O12	869.4216	NA	PeJP	NA	NA
+PJ060075	GGSSNHRR 	C32H55N17O12	869.4217	NA	PeJP	NA	NA
+PJ060076	SKMRYW 	C40H59N11O9S	869.4218	NA	PeJP	NA	NA
+PJ060077	PPVWWW 	C48H55N9O7	869.4225	NA	PeJP	NA	NA
+PJ060078	SSTKERY 	C36H59N11O14	869.4243	NA	PeJP	NA	NA
+PJ060079	GGGGGPVLQE 	C36H59N11O14	869.4244	NA	PeJP	NA	NA
+PJ060080	AAKMMRY 	C37H63N11O9S2	869.4252	NA	PeJP	NA	NA
+PJ060081	SEHRRW 	C37H55N15O10	869.4257	NA	PeJP	NA	NA
+MJ096596	Ancorinoside A; Mg salt 	C41H67MgNO17	869.425941	NA	MeJP	NA	NA
+3549	NA	SFLLRNPNDKYEPF	869.42635	MH2+	Inhouse_peptide	NA	peptide
+PJ060082	SSSLKYW 	C41H59N9O12	869.4283	NA	PeJP	NA	NA
+PJ060083	PPVDKEW 	C41H59N9O12	869.4284	NA	PeJP	NA	NA
+PJ060084	AAEMHRR 	C34H59N15O10S	869.429	NA	PeJP	NA	NA
+PJ060085	GVDMHRR 	C34H59N15O10S	869.4291	NA	PeJP	NA	NA
+PJ060086	KKMMFW 	C42H63N9O7S2	869.4292	NA	PeJP	NA	NA
+PJ060087	SVHRWW 	C42H55N13O8	869.4297	NA	PeJP	NA	NA
+PJ060088	ATKKEMY 	C38H63N9O12S	869.4317	NA	PeJP	NA	NA
+PJ060089	LLEFYW 	C46H59N7O10	869.4324	NA	PeJP	NA	NA
+PJ060090	LQMHRW 	C39H59N13O8S	869.4331	NA	PeJP	NA	NA
+PJ060091	SSTTRRY 	C35H59N13O13	869.4356	NA	PeJP	NA	NA
+PJ060092	APLLMYY 	C43H63N7O10S	869.4357	NA	PeJP	NA	NA
+PJ060093	CLLLDFF 	C43H63N7O10S	869.4358	NA	PeJP	NA	NA
+PJ060094	APKMMHR 	C36H63N13O8S2	869.4364	NA	PeJP	NA	NA
+PJ060095	GVQHHHR 	C36H55N17O9	869.4369	NA	PeJP	NA	NA
+PJ060096	SLLLMMY 	C40H67N7O10S2	869.4391	NA	PeJP	NA	NA
+PJ060097	SPPVERW 	C40H59N11O11	869.4396	NA	PeJP	NA	NA
+PJ060098	DMHRRR 	C33H59N17O9S	869.4403	NA	PeJP	NA	NA
+PJ060099	ATTKMRY 	C37H63N11O11S	869.4429	NA	PeJP	NA	NA
+PJ060100	GGSCKKKY 	C37H63N11O11S	869.443	NA	PeJP	NA	NA
+PJ060101	APPTLWW 	C45H59N9O9	869.4436	NA	PeJP	NA	NA
+PJ060102	CLHRRW 	C38H59N15O7S	869.4443	NA	PeJP	NA	NA
+PJ060103	ATTEHRR 	C34H59N15O12	869.4468	NA	PeJP	NA	NA
+PJ060104	PPVLQMW 	C42H63N9O9S	869.447	NA	PeJP	NA	NA
+PJ060105	QHHHRR 	C35H55N19O8	869.4481	NA	PeJP	NA	NA
+PJ060106	GAHHHRR 	C35H55N19O8	869.4482	NA	PeJP	NA	NA
+PJ060107	TTTKKEY 	C38H63N9O14	869.4495	NA	PeJP	NA	NA
+PJ060108	AVKKMMY 	C39H67N9O9S2	869.4503	NA	PeJP	NA	NA
+PJ060109	GLKKMMY 	C39H67N9O9S2	869.4504	NA	PeJP	NA	NA
+PJ060110	GTTLHRW 	C39H59N13O10	869.4508	NA	PeJP	NA	NA
+PJ060111	GLLLEYY 	C43H63N7O12	869.4535	NA	PeJP	NA	NA
+PJ060112	PPVDMRR 	C36H63N13O10S	869.4542	NA	PeJP	NA	NA
+PJ060113	TLKHWW 	C44H59N11O8	869.4548	NA	PeJP	NA	NA
+PJ060114	GPVKHFW 	C44H59N11O8	869.4549	NA	PeJP	NA	NA
+PJ060115	GPNDRRR 	C33H59N17O11	869.458	NA	PeJP	NA	NA
+PJ060116	GGGPDRRR 	C33H59N17O11	869.4581	NA	PeJP	NA	NA
+PJ060117	APPLMRW 	C41H63N11O8S	869.4582	NA	PeJP	NA	NA
+PJ060118	TTTTKRY 	C37H63N11O13	869.4607	NA	PeJP	NA	NA
+PJ060119	PVKKMMH 	C38H67N11O8S2	869.4616	NA	PeJP	NA	NA
+PJ060120	PQQRRW 	C38H59N15O9	869.4621	NA	PeJP	NA	NA
+PJ060121	PPTLKEW 	C42H63N9O11	869.4647	NA	PeJP	NA	NA
+PJ060122	GGPVLLEW 	C42H63N9O11	869.4648	NA	PeJP	NA	NA
+PJ060123	GTLMHRR 	C35H63N15O9S	869.4654	NA	PeJP	NA	NA
+PJ060124	PKHFRW 	C43H59N13O7	869.4661	NA	PeJP	NA	NA
+PJ060125	STLKKMY 	C39H67N9O11S	869.4681	NA	PeJP	NA	NA
+PJ060126	LLLYYW 	C47H63N7O9	869.4688	NA	PeJP	NA	NA
+PJ060127	LKMHRW 	C40H63N13O7S	869.4695	NA	PeJP	NA	NA
+PJ060128	STLKEHR 	C36H63N13O12	869.4719	NA	PeJP	NA	NA
+PJ060129	APLEERR 	C36H63N13O12	869.472	NA	PeJP	NA	NA
+PJ060130	ALLLMFY 	C44H67N7O9S	869.4721	NA	PeJP	NA	NA
+PJ060131	APPHHRR 	C37H59N17O8	869.4733	NA	PeJP	NA	NA
+PJ060132	GPLLERW 	C41H63N11O10	869.476	NA	PeJP	NA	NA
+MJ096597	5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H71NO16	869.477285	NA	MeJP	NA	NA
+MJ096598	5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H71NO16	869.477285	NA	MeJP	NA	NA
+PJ060133	TLLQKMH 	C38H67N11O10S	869.4793	NA	PeJP	NA	NA
+PJ060134	PPLKEMR 	C38H67N11O10S	869.4794	NA	PeJP	NA	NA
+PJ060135	GPVLLWW 	C46H63N9O8	869.48	NA	PeJP	NA	NA
+PJ060136	STTLHRR 	C35H63N15O11	869.4832	NA	PeJP	NA	NA
+PJ060137	PPVLKMW 	C43H67N9O8S	869.4834	NA	PeJP	NA	NA
+PJ060138	KHHHRR 	C36H59N19O7	869.4845	NA	PeJP	NA	NA
+PJ060139	AAPLLKEE 	C39H67N9O13	869.4859	NA	PeJP	NA	NA
+PJ060140	LLLLMMH 	C40H71N9O8S2	869.4867	NA	PeJP	NA	NA
+PJ060141	GPVQKRW 	C40H63N13O9	869.4872	NA	PeJP	NA	NA
+PJ060142	SVLLLYY 	C44H67N7O11	869.4899	NA	PeJP	NA	NA
+PJ060143	PPTLMRR 	C37H67N13O9S	869.4906	NA	PeJP	NA	NA
+PJ060144	PLLRWW 	C45H63N11O7	869.4912	NA	PeJP	NA	NA
+PJ060145	GPTQRRR 	C34H63N17O10	869.4944	NA	PeJP	NA	NA
+MJ096599	Ebiratide 	C42H67N11O7S	869.494564	NA	MeJP	NA	NA
+PJ060146	PVLKEER 	C38H67N11O12	869.4971	NA	PeJP	NA	NA
+PJ060147	PQKRRW 	C39H63N15O8	869.4984	NA	PeJP	NA	NA
+PJ060148	GAPKRRW 	C39H63N15O8	869.4985	NA	PeJP	NA	NA
+PJ060149	PVVLKEW 	C43H67N9O10	869.5011	NA	PeJP	NA	NA
+PJ060150	ACKKKHR 	C36H67N15O8S	869.5018	NA	PeJP	NA	NA
+PJ060151	APPTLLKM 	C40H71N9O10S	869.5045	NA	PeJP	NA	NA
+PJ060152	ALLLFFF 	C48H67N7O8	869.5051	NA	PeJP	NA	NA
+PJ060153	VVVLFFF 	C48H67N7O8	869.5052	NA	PeJP	NA	NA
+PJ060154	SPLLERR 	C37H67N13O11	869.5083	NA	PeJP	NA	NA
+PJ060155	GGPVKKER 	C37H67N13O11	869.5084	NA	PeJP	NA	NA
+PJ060156	VHFRRR 	C38H63N17O7	869.5097	NA	PeJP	NA	NA
+PJ060157	SPVLLRW 	C42H67N11O9	869.5124	NA	PeJP	NA	NA
+PJ060158	PLLLQMR 	C39H71N11O9S	869.5157	NA	PeJP	NA	NA
+PJ060159	GPKKERR 	C36H67N15O10	869.5196	NA	PeJP	NA	NA
+PJ060160	GPTLLLKE 	C40H71N9O12	869.5223	NA	PeJP	NA	NA
+PJ060161	GPVKKRW 	C41H67N13O8	869.5236	NA	PeJP	NA	NA
+PJ060162	PVVLMRR 	C38H71N13O8S	869.527	NA	PeJP	NA	NA
+PJ060163	GPTKRRR 	C35H67N17O9	869.5308	NA	PeJP	NA	NA
+PJ060164	VLLLQER 	C39H71N11O11	869.5335	NA	PeJP	NA	NA
+PJ060165	PKKRRW 	C40H67N15O7	869.5348	NA	PeJP	NA	NA
+PJ060166	PTLLLKW 	C44H71N9O9	869.5375	NA	PeJP	NA	NA
+PJ060167	GPVLLLKM 	C41H75N9O9S	869.5409	NA	PeJP	NA	NA
+PJ060168	VQRRRR 	C34H67N19O8	869.542	NA	PeJP	NA	NA
+PJ060169	GGLRRRR 	C34H67N19O8	869.5421	NA	PeJP	NA	NA
+PJ060170	ALLLERR 	C38H71N13O10	869.5447	NA	PeJP	NA	NA
+PJ060171	APLKKKW 	C43H71N11O8	869.5487	NA	PeJP	NA	NA
+PJ060172	GLLLLRW 	C43H71N11O8	869.5488	NA	PeJP	NA	NA
+MJ096600	Mycobactin; Mycobactin P 	C47H75N5O10	869.551393	NA	MeJP	NA	NA
+PJ060173	PLLLKMR 	C40H75N11O8S	869.5521	NA	PeJP	NA	NA
+PJ060174	ARRRRR 	C33H67N21O7	869.5533	NA	PeJP	NA	NA
+PJ060175	SPVKKRR 	C37H71N15O9	869.556	NA	PeJP	NA	NA
+PJ060176	AALLLLKE 	C41H75N9O11	869.5586	NA	PeJP	NA	NA
+PJ060177	GVVLLLKE 	C41H75N9O11	869.5587	NA	PeJP	NA	NA
+PJ060178	AALKRRR 	C36H71N17O8	869.5672	NA	PeJP	NA	NA
+PJ060179	VLLLKER 	C40H75N11O10	869.5699	NA	PeJP	NA	NA
+PJ060180	VVLLLKW 	C45H75N9O8	869.5739	NA	PeJP	NA	NA
+PJ060181	VKRRRR 	C35H71N19O7	869.5784	NA	PeJP	NA	NA
+PJ060182	SLLLLRR 	C39H75N13O9	869.5811	NA	PeJP	NA	NA
+PJ060183	GLLKKRR 	C38H75N15O8	869.5923	NA	PeJP	NA	NA
+PJ060184	GTLLLLLK 	C42H79N9O10	869.595	NA	PeJP	NA	NA
+PJ060185	LLLQKKK 	C41H79N11O9	869.6063	NA	PeJP	NA	NA
+EUR998	PC 38:4 [M-H+acetate]-	C46H84NO8P	869.614557	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR998	PC 38:4 [M-H+acetate]-	C46H84NO8P	869.614557	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR998	PC 38:4 [M-H+acetate]-	C46H84NO8P	869.614557	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR998	PC 38:4 [M-H+acetate]-	C46H84NO8P	869.614557	masses lipides attendues	Inhousejuil11	NA	NA
+PJ060186	VVLKKKR 	C40H79N13O8	869.6175	NA	PeJP	NA	NA
+PJ060187	LLLKKKK 	C42H83N11O8	869.6426	NA	PeJP	NA	NA
+EUR1133	SM(d18:1/24:4) [M-H+acetate]-	C47H90N2O6P	869.674751	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1133	SM(d18:1/24:4) [M-H+acetate]-	C47H90N2O6P	869.674751	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1133	SM(d18:1/24:4) [M-H+acetate]-	C47H90N2O6P	869.674751	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1133	SM(d18:1/24:4) [M-H+acetate]-	C47H90N2O6P	869.674751	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08092	PC(18:1(11Z)/24:1(15Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08125	PC(18:1(9Z)/24:1(15Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08157	PC(18:2(9Z,12Z)/24:0)	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08284	PC(20:0/22:2(13Z,16Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08316	PC(20:1(11Z)/22:1(13Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08348	PC(20:2(11Z,14Z)/22:0)	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08539	PC(22:0/20:2(11Z,14Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08570	PC(22:1(13Z)/20:1(11Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08602	PC(22:2(13Z,16Z)/20:0)	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08763	PC(24:0/18:2(9Z,12Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08794	PC(24:1(15Z)/18:1(11Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+HMDB08795	PC(24:1(15Z)/18:1(9Z))	C50H96NO8P	869.687378	NA	HMDB2010	NA	NA
+2768	NA	KNNQKSEPLIGRKKT	869.9914	MH2+	Inhouse_peptide	NA	peptide
+HMDB03834	P1,P4-Bis(5'-xanthosyl) tetraphosphate	C20H26N8O23P4	870.0061	http://www.hmdb.ca/metabolites/HMDB03834	HMDB	NA	NA
+C04392	P1,P4-Bis(5'-xanthosyl) tetraphosphate	C20H26N8O23P4	870.0061	NA	KEGG	NA	NA
+HMDB03834	P1,P4-Bis(5'-xanthosyl) tetraphosphate	C20H26N8O23P4	870.0061	HMDB03834	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03834	P1,P4-Bis(5'-xanthosyl) tetraphosphate	C20H26N8O23P4	870.006104	NA	HMDB2010	NA	NA
+MJ096601	P1,P4-Bis(5'-xanthosyl) tetraphosphate 	C20H26N8O23P4	870.006125	NA	MeJP	NA	NA
+PJ060188	CCCCCCCM 	C26H46N8O9S8	870.1154	NA	PeJP	NA	NA
+MJ096602	Fucopentaphlorethol A 	C42H30O21	870.127958	NA	MeJP	NA	NA
+PJ060189	ACCCCCCY 	C30H46N8O10S6	870.1662	NA	PeJP	NA	NA
+PJ060190	PCCCCCCH 	C29H46N10O9S6	870.1774	NA	PeJP	NA	NA
+PJ060191	SSCCCCCY 	C30H46N8O12S5	870.1839	NA	PeJP	NA	NA
+PJ060192	GCCCCDMH 	C29H46N10O11S5	870.1952	NA	PeJP	NA	NA
+PJ060193	GCCDDDDE 	C29H42N8O19S2	870.2008	NA	PeJP	NA	NA
+PJ060194	SSCCCCEH 	C29H46N10O13S4	870.2129	NA	PeJP	NA	NA
+PJ060195	CCDDDDW 	C33H42N8O16S2	870.2161	NA	PeJP	NA	NA
+PJ060196	CCCCNYY 	C34H46N8O11S4	870.2169	NA	PeJP	NA	NA
+C08550	Iresinin I	C36H42N2O23	870.2178	NA	KEGG	NA	NA
+MJ096603	Betanidin; 15-Epimer, 5-O-[?-D-glucuronopyranosyl-(?2)-[3-hydroxy-3-methylglutaryl-(?6)]-?-D-glucopyranoside] 	C36H42N2O23	870.217835	NA	MeJP	NA	NA
+MJ096604	Betanidin; 5-O-[?-D-Glucuronopyranosyl-(1?2)-[3-hydroxy-3-methylglutaryl-(?6)]-?-D-glucopyranoside] 	C36H42N2O23	870.217835	NA	MeJP	NA	NA
+PJ060197	SSCDDDDD 	C29H42N8O21S	870.2186	NA	PeJP	NA	NA
+PJ060198	SPCCCDDE 	C30H46N8O16S3	870.2194	NA	PeJP	NA	NA
+PJ060199	PPCCCCDM 	C31H50N8O11S5	870.2203	NA	PeJP	NA	NA
+PJ060200	GCCNNDDM 	C29H46N10O15S3	870.2307	NA	PeJP	NA	NA
+PJ060201	GSCCCMMH 	C30H50N10O10S5	870.2315	NA	PeJP	NA	NA
+PJ060202	GSCDDDEM 	C30H46N8O18S2	870.2372	NA	PeJP	NA	NA
+PJ060203	GPCCDDMM 	C31H50N8O13S4	870.2381	NA	PeJP	NA	NA
+PJ060204	SCCCNNNN 	C28H46N12O14S3	870.2419	NA	PeJP	NA	NA
+MJ096605	3',4,4',5-Tetrahydroxy-2,7'-cyclolign-7-ene-9,9'-dioic acid, 4-O-?-D-Glucopyranoside, 9-(2,3,4,5,6,7-hexahydroxyheptyl) ester, 9'-(shikim-5-yl) ester 	C38H46O23	870.242987	NA	MeJP	NA	NA
+PJ060205	CCCNNEW 	C33H46N10O12S3	870.2459	NA	PeJP	NA	NA
+PJ060206	SSCCNNDE 	C29H46N10O17S2	870.2484	NA	PeJP	NA	NA
+PJ060207	SSTCCCMH 	C30H50N10O12S4	870.2493	NA	PeJP	NA	NA
+PJ060208	NDDDDDY 	C33H42N8O20	870.2516	NA	PeJP	NA	NA
+PJ060209	SCDDDMW 	C34H46N8O15S2	870.2524	NA	PeJP	NA	NA
+PJ060210	GPCCDDDF 	C34H46N8O15S2	870.2525	NA	PeJP	NA	NA
+PJ060211	PCCCEMW 	C35H50N8O10S4	870.2533	NA	PeJP	NA	NA
+PJ060212	SSSDDDDM 	C30H46N8O20S	870.2549	NA	PeJP	NA	NA
+PJ060213	NDDDMMM 	C31H50N8O15S3	870.2558	NA	PeJP	NA	NA
+PJ060214	SPPCCCMM 	C32H54N8O10S5	870.2567	NA	PeJP	NA	NA
+PJ060215	GPCCCDHH 	C32H46N12O11S3	870.2572	NA	PeJP	NA	NA
+PJ060216	GCCCNWW 	C37H46N10O9S3	870.2612	NA	PeJP	NA	NA
+PJ060217	GSSCCNDW 	C33H46N10O14S2	870.2637	NA	PeJP	NA	NA
+PJ060218	CCCQMHF 	C34H50N10O9S4	870.2645	NA	PeJP	NA	NA
+PJ060219	GACCCMHF 	C34H50N10O9S4	870.2646	NA	PeJP	NA	NA
+PJ060220	GSSSSCNDD 	C29H46N10O19S	870.2662	NA	PeJP	NA	NA
+PJ060221	GSCNNDMM 	C30H50N10O14S3	870.267	NA	PeJP	NA	NA
+PJ060222	CCDDEMR 	C30H50N10O14S3	870.2671	NA	PeJP	NA	NA
+MJ096606	Pradimicin L 	C41H46N2O19	870.269477	NA	MeJP	NA	NA
+PJ060223	GSPCDDDY 	C34H46N8O17S	870.2702	NA	PeJP	NA	NA
+PJ060224	GCDEMMW 	C35H50N8O12S3	870.2711	NA	PeJP	NA	NA
+PJ060225	GSSDDEMM 	C31H50N8O17S2	870.2736	NA	PeJP	NA	NA
+PJ060226	GSPCDMMM 	C32H54N8O12S4	870.2744	NA	PeJP	NA	NA
+PJ060227	CNDDMHH 	C32H46N12O13S2	870.2749	NA	PeJP	NA	NA
+PJ060228	CCCCHFR 	C33H50N12O8S4	870.2758	NA	PeJP	NA	NA
+PJ060229	GSCCCNER 	C29H50N12O13S3	870.2783	NA	PeJP	NA	NA
+PJ060230	CNNNDEY 	C33H46N10O16S	870.2814	NA	PeJP	NA	NA
+PJ060231	GGGGGGCDEY 	C33H46N10O16S	870.2815	NA	PeJP	NA	NA
+PJ060232	SCCNQMW 	C34H50N10O11S3	870.2823	NA	PeJP	NA	NA
+PJ060233	SSSCNNEM 	C30H50N10O16S2	870.2848	NA	PeJP	NA	NA
+PJ060234	GCDDEFW 	C38H46N8O14S	870.2855	NA	PeJP	NA	NA
+PJ060235	CNNQMMM 	C31H54N10O11S4	870.2857	NA	PeJP	NA	NA
+PJ060236	GSCCNNHH 	C31H46N14O12S2	870.2861	NA	PeJP	NA	NA
+PJ060237	GGGSCCNHH 	C31H46N14O12S2	870.2862	NA	PeJP	NA	NA
+PJ060238	CDMMWW 	C39H50N8O9S3	870.2863	NA	PeJP	NA	NA
+PJ060239	SDDDQEY 	C34H46N8O19	870.2879	NA	PeJP	NA	NA
+PJ060240	SNDDEEY 	C34H46N8O19	870.288	NA	PeJP	NA	NA
+PJ060241	SSDDMMW 	C35H50N8O14S2	870.2888	NA	PeJP	NA	NA
+PJ060242	PTCCMMW 	C36H54N8O9S4	870.2897	NA	PeJP	NA	NA
+PJ060243	GCCEHHW 	C36H46N12O10S2	870.2902	NA	PeJP	NA	NA
+PJ060244	SSSSDEEM 	C31H50N8O19S	870.2913	NA	PeJP	NA	NA
+PJ060245	SNEEMMM 	C32H54N8O14S3	870.2922	NA	PeJP	NA	NA
+PJ060246	GSSCDEHH 	C32H46N12O15S	870.2927	NA	PeJP	NA	NA
+PJ060247	CEMYYY 	C40H50N6O12S2	870.2928	NA	PeJP	NA	NA
+PJ060248	PCQMMMM 	C33H58N8O9S5	870.2931	NA	PeJP	NA	NA
+MJ096607	Asperchrome D 	C33H52FeN9O15	870.293229	NA	MeJP	NA	NA
+PJ060249	SCCCNRW 	C33H50N12O10S3	870.2935	NA	PeJP	NA	NA
+MJ096608	Catalpol; 6-O-[3,4-bis-O-(4-methoxy-E-cinnamoyl)-?-L-rhamnopyranoside] 	C43H50O19	870.294629	NA	MeJP	NA	NA
+PJ060250	SSSCCNDR 	C29H50N12O15S2	870.296	NA	PeJP	NA	NA
+PJ060251	GCNNDYW 	C37H46N10O13S	870.2967	NA	PeJP	NA	NA
+PJ060252	CCNNMMR 	C30H54N12O10S4	870.2969	NA	PeJP	NA	NA
+PJ060253	GSSNNDDY 	C33H46N10O18	870.2992	NA	PeJP	NA	NA
+PJ060254	GSSSCNMW 	C34H50N10O13S2	870.3001	NA	PeJP	NA	NA
+PJ060255	CDDFWW 	C42H46N8O11S	870.3007	NA	PeJP	NA	NA
+PJ060256	CCCKMHF 	C35H54N10O8S4	870.3009	NA	PeJP	NA	NA
+PJ060257	ASSSSSCNE 	C30H50N10O18S	870.3025	NA	PeJP	NA	NA
+PJ060258	GSSSSSNDM 	C30H50N10O18S	870.3026	NA	PeJP	NA	NA
+PJ060259	GSDDEYW 	C38H46N8O16	870.3032	NA	PeJP	NA	NA
+PJ060260	SCDEMMR 	C31H54N10O13S3	870.3034	NA	PeJP	NA	NA
+PJ060261	GPCDMYW 	C39H50N8O11S2	870.3041	NA	PeJP	NA	NA
+PJ060262	PCCMMMR 	C32H58N10O8S5	870.3043	NA	PeJP	NA	NA
+PJ060263	CCHHWW 	C40H46N12O7S2	870.3054	NA	PeJP	NA	NA
+PJ060264	GNEEEMY 	C35H50N8O16S	870.3066	NA	PeJP	NA	NA
+PJ060265	ASDMMMW 	C36H54N8O11S3	870.3074	NA	PeJP	NA	NA
+PJ060266	GSEMMMW 	C36H54N8O11S3	870.3075	NA	PeJP	NA	NA
+PJ060267	SSCDHHW 	C36H46N12O12S	870.3079	NA	PeJP	NA	NA
+PJ060268	CCCCQRR 	C29H54N14O9S4	870.3081	NA	PeJP	NA	NA
+PJ060269	GACCCCRR 	C29H54N14O9S4	870.3082	NA	PeJP	NA	NA
+PJ060270	VTTTCCDE 	C32H54N8O16S2	870.3099	NA	PeJP	NA	NA
+PJ060271	GSSTEEMM 	C32H54N8O16S2	870.31	NA	PeJP	NA	NA
+PJ060272	SSSSDDHH 	C32H46N12O17	870.3104	NA	PeJP	NA	NA
+PJ060273	GGGGGGDEEH 	C32H46N12O17	870.3105	NA	PeJP	NA	NA
+PJ060274	AQEMMMM 	C33H58N8O11S4	870.3108	NA	PeJP	NA	NA
+PJ060275	CCNNDFR 	C33H50N12O12S2	870.3113	NA	PeJP	NA	NA
+PJ060276	SPDDDHW 	C37H46N10O15	870.3144	NA	PeJP	NA	NA
+PJ060277	GSSCCQMR 	C30H54N12O12S3	870.3147	NA	PeJP	NA	NA
+PJ060278	GCNNMFW 	C38H50N10O10S2	870.3153	NA	PeJP	NA	NA
+PJ060279	SSSSSCQW 	C34H50N10O15S	870.3178	NA	PeJP	NA	NA
+PJ060280	SDDYWW 	C42H46N8O13	870.3185	NA	PeJP	NA	NA
+PJ060281	SCCNKMW 	C35H54N10O10S3	870.3187	NA	PeJP	NA	NA
+PJ060282	SSSSSSSNE 	C30H50N10O20	870.3203	NA	PeJP	NA	NA
+PJ060283	SSSSNQMM 	C31H54N10O15S2	870.3212	NA	PeJP	NA	NA
+PJ060284	GSNNNNDH 	C31H46N14O16	870.3217	NA	PeJP	NA	NA
+PJ060285	NEEMYW 	C39H50N8O13S	870.3218	NA	PeJP	NA	NA
+PJ060286	GGPCDEFF 	C39H50N8O13S	870.3219	NA	PeJP	NA	NA
+PJ060287	CNNKMMM 	C32H58N10O10S4	870.322	NA	PeJP	NA	NA
+PJ060288	GDMMMMR 	C32H58N10O10S4	870.3221	NA	PeJP	NA	NA
+PJ060289	SCCEHHR 	C32H50N14O11S2	870.3225	NA	PeJP	NA	NA
+PJ060290	SMMMWW 	C40H54N8O8S3	870.3227	NA	PeJP	NA	NA
+PJ060291	SSQEEEY 	C35H50N8O18	870.3243	NA	PeJP	NA	NA
+PJ060292	PPPTDDDD 	C35H50N8O18	870.3244	NA	PeJP	NA	NA
+PJ060293	SSTEMMW 	C36H54N8O13S2	870.3252	NA	PeJP	NA	NA
+PJ060294	GNNDEHW 	C36H46N12O14	870.3257	NA	PeJP	NA	NA
+PJ060295	PCYYYY 	C44H50N6O11S	870.3258	NA	PeJP	NA	NA
+PJ060296	CEFFYY 	C44H50N6O11S	870.3259	NA	PeJP	NA	NA
+PJ060297	AAMMMMW 	C37H58N8O8S4	870.3261	NA	PeJP	NA	NA
+PJ060298	ASCMHHW 	C37H50N12O9S2	870.3265	NA	PeJP	NA	NA
+PJ060299	GTCMHHW 	C37H50N12O9S2	870.3266	NA	PeJP	NA	NA
+PJ060300	SSSTTEEM 	C32H54N8O18S	870.3277	NA	PeJP	NA	NA
+PJ060301	SDKEMMM 	C33H58N8O13S3	870.3286	NA	PeJP	NA	NA
+PJ060302	SCNNDRY 	C33H50N12O14S	870.329	NA	PeJP	NA	NA
+PJ060303	GGSCNDRY 	C33H50N12O14S	870.3291	NA	PeJP	NA	NA
+PJ060304	TMMYYY 	C41H54N6O11S2	870.3292	NA	PeJP	NA	NA
+PJ060305	PCKMMMM 	C34H62N8O8S5	870.3295	NA	PeJP	NA	NA
+PJ060306	GQMMMHH 	C34H54N12O9S3	870.3299	NA	PeJP	NA	NA
+PJ060307	SCNHHHH 	C34H46N16O10S	870.3304	NA	PeJP	NA	NA
+MJ096609	Bussein E 	C44H54O18	870.331014	NA	MeJP	NA	NA
+PJ060308	SSSSCNMR 	C30H54N12O14S2	870.3324	NA	PeJP	NA	NA
+PJ060309	CDERYW 	C38H50N10O12S	870.3331	NA	PeJP	NA	NA
+PJ060310	CCCQKMR 	C31H58N12O9S4	870.3333	NA	PeJP	NA	NA
+PJ060311	GSSSSSSSW 	C34H50N10O17	870.3356	NA	PeJP	NA	NA
+PJ060312	GSSTCCKW 	C35H54N10O12S2	870.3364	NA	PeJP	NA	NA
+PJ060313	GGGGAQMMY 	C35H54N10O12S2	870.3365	NA	PeJP	NA	NA
+PJ060314	PNDDHHH 	C35H46N14O13	870.3369	NA	PeJP	NA	NA
+PJ060315	GEMYWW 	C43H50N8O10S	870.3371	NA	PeJP	NA	NA
+PJ060316	GSSSSSTQM 	C31H54N10O17S	870.3389	NA	PeJP	NA	NA
+PJ060317	GSTEEYW 	C39H50N8O15	870.3396	NA	PeJP	NA	NA
+PJ060318	SSEMMMR 	C32H58N10O12S3	870.3398	NA	PeJP	NA	NA
+PJ060319	NNNNQMH 	C32H50N14O13S	870.3403	NA	PeJP	NA	NA
+PJ060320	GSPMMYW 	C40H54N8O10S2	870.3405	NA	PeJP	NA	NA
+PJ060321	NNDHWW 	C40H46N12O11	870.3409	NA	PeJP	NA	NA
+PJ060322	GGGGDHWW 	C40H46N12O11	870.341	NA	PeJP	NA	NA
+PJ060323	GCMMHHR 	C33H54N14O8S3	870.3412	NA	PeJP	NA	NA
+PJ060324	GDKEEMY 	C36H54N8O15S	870.343	NA	PeJP	NA	NA
+PJ060325	AEYYYY 	C44H50N6O13	870.3436	NA	PeJP	NA	NA
+PJ060326	ATTMMMW 	C37H58N8O10S3	870.3438	NA	PeJP	NA	NA
+PJ060327	SSSMHHW 	C37H50N12O11S	870.3443	NA	PeJP	NA	NA
+PJ060328	CCCCKRR 	C30H58N14O8S4	870.3445	NA	PeJP	NA	NA
+PJ060329	SSSSLEMM 	C33H58N8O15S2	870.3463	NA	PeJP	NA	NA
+PJ060330	GDEEEHR 	C33H50N12O16	870.3468	NA	PeJP	NA	NA
+PJ060331	AKEMMMM 	C34H62N8O10S4	870.3472	NA	PeJP	NA	NA
+PJ060332	GCNQMRY 	C34H54N12O11S2	870.3477	NA	PeJP	NA	NA
+PJ060333	PDMHWW 	C42H50N10O9S	870.3483	NA	PeJP	NA	NA
+PJ060334	GSSSSSTCR 	C30H54N12O16S	870.3502	NA	PeJP	NA	NA
+PJ060335	SSSNQYW 	C38H50N10O14	870.3508	NA	PeJP	NA	NA
+PJ060336	GGGGPPDEW 	C38H50N10O14	870.3509	NA	PeJP	NA	NA
+PJ060337	ASTCCCKR 	C31H58N12O11S3	870.351	NA	PeJP	NA	NA
+PJ060338	GSSCCKMR 	C31H58N12O11S3	870.3511	NA	PeJP	NA	NA
+PJ060339	CNNNNHR 	C31H50N16O12S	870.3515	NA	PeJP	NA	NA
+PJ060340	GGGGGGGGCHR 	C31H50N16O12S	870.3516	NA	PeJP	NA	NA
+PJ060341	CEMFRW 	C39H54N10O9S2	870.3517	NA	PeJP	NA	NA
+PJ060342	MYWWW 	C47H50N8O7S	870.3523	NA	PeJP	NA	NA
+PJ060343	SSSSSCKW 	C35H54N10O14S	870.3542	NA	PeJP	NA	NA
+PJ060344	STEYWW 	C43H50N8O12	870.3548	NA	PeJP	NA	NA
+PJ060345	GGPEYYW 	C43H50N8O12	870.3549	NA	PeJP	NA	NA
+PJ060346	TCCCKKW 	C36H58N10O9S3	870.3551	NA	PeJP	NA	NA
+PJ060347	GCDHHFR 	C36H50N14O10S	870.3556	NA	PeJP	NA	NA
+PJ060348	AMMFWW 	C44H54N8O7S2	870.3557	NA	PeJP	NA	NA
+PJ060349	SSSSSSSDK 	C31H54N10O19	870.3567	NA	PeJP	NA	NA
+PJ060350	SSSSNKMM 	C32H58N10O14S2	870.3576	NA	PeJP	NA	NA
+PJ060351	SNNDEHR 	C32H50N14O15	870.358	NA	PeJP	NA	NA
+PJ060352	GGSNDEHR 	C32H50N14O15	870.3581	NA	PeJP	NA	NA
+PJ060353	DKEMYW 	C40H54N8O12S	870.3582	NA	PeJP	NA	NA
+PJ060354	ATMMMMR 	C33H62N10O9S4	870.3584	NA	PeJP	NA	NA
+PJ060355	GACCKKMM 	C33H62N10O9S4	870.3585	NA	PeJP	NA	NA
+PJ060356	GCCNRRY 	C33H54N14O10S2	870.3589	NA	PeJP	NA	NA
+PJ060357	NMHHFW 	C41H50N12O8S	870.3596	NA	PeJP	NA	NA
+PJ060358	SSKEEEY 	C36H54N8O17	870.3607	NA	PeJP	NA	NA
+PJ060359	TTTTMMW 	C37H58N8O12S2	870.3616	NA	PeJP	NA	NA
+PJ060360	DEEHRW 	C37H50N12O13	870.3621	NA	PeJP	NA	NA
+PJ060361	CLFYYY 	C45H54N6O10S	870.3622	NA	PeJP	NA	NA
+PJ060362	PCCKHHF 	C38H54N12O8S2	870.3629	NA	PeJP	NA	NA
+PJ060363	STTTTTEM 	C33H58N8O17S	870.3641	NA	PeJP	NA	NA
+PJ060364	TTKEMMM 	C34H62N8O12S3	870.365	NA	PeJP	NA	NA
+PJ060365	SSNNMRY 	C34H54N12O13S	870.3654	NA	PeJP	NA	NA
+PJ060366	GGGGVQEMH 	C34H54N12O13S	870.3655	NA	PeJP	NA	NA
+PJ060367	VDEHWW 	C42H50N10O11	870.3661	NA	PeJP	NA	NA
+PJ060368	PPCMMHR 	C35H58N12O8S3	870.3663	NA	PeJP	NA	NA
+PJ060369	SSSSSSSSR 	C30H54N12O18	870.3679	NA	PeJP	NA	NA
+PJ060370	SSSTCCKR 	C31H58N12O13S2	870.3688	NA	PeJP	NA	NA
+MJ096610	Amanitin; Amanullin, Deoxy 	C39H54N10O11S	870.369423	NA	MeJP	NA	NA
+PJ060371	SEMRYW 	C39H54N10O11S	870.3695	NA	PeJP	NA	NA
+PJ060372	CCCKKMR 	C32H62N12O8S4	870.3697	NA	PeJP	NA	NA
+PJ060373	GPYYWW 	C47H50N8O9	870.3701	NA	PeJP	NA	NA
+PJ060374	SSTEERY 	C35H54N10O16	870.3719	NA	PeJP	NA	NA
+PJ060375	TTTDDRY 	C35H54N10O16	870.372	NA	PeJP	NA	NA
+PJ060376	AAEMMRY 	C36H58N10O11S2	870.3728	NA	PeJP	NA	NA
+PJ060377	GGGGAPPPMM 	C36H58N10O11S2	870.3729	NA	PeJP	NA	NA
+PJ060378	GSNDHRW 	C36H50N14O12	870.3733	NA	PeJP	NA	NA
+PJ060379	SVMYWW 	C44H54N8O9S	870.3735	NA	PeJP	NA	NA
+PJ060380	GSSSSSTKM 	C32H58N10O16S	870.3753	NA	PeJP	NA	NA
+PJ060381	SSSLEYW 	C40H54N8O14	870.376	NA	PeJP	NA	NA
+PJ060382	TTTMMMR 	C33H62N10O11S3	870.3762	NA	PeJP	NA	NA
+PJ060383	GNQEMHR 	C33H54N14O12S	870.3767	NA	PeJP	NA	NA
+PJ060384	LQMMYW 	C41H58N8O9S2	870.3768	NA	PeJP	NA	NA
+PJ060385	GALMMYW 	C41H58N8O9S2	870.3769	NA	PeJP	NA	NA
+PJ060386	SQQHWW 	C41H50N12O10	870.3773	NA	PeJP	NA	NA
+PJ060387	STLQEMY 	C37H58N8O14S	870.3793	NA	PeJP	NA	NA
+PJ060388	ATKEEMY 	C37H58N8O14S	870.3794	NA	PeJP	NA	NA
+PJ060389	SLYYYY 	C45H54N6O12	870.38	NA	PeJP	NA	NA
+PJ060390	APKMMMY 	C38H62N8O9S3	870.3802	NA	PeJP	NA	NA
+PJ060391	AAQQMHW 	C38H54N12O10S	870.3807	NA	PeJP	NA	NA
+PJ060392	SSTTTLMM 	C34H62N8O14S2	870.3827	NA	PeJP	NA	NA
+PJ060393	GSSSSQRY 	C34H54N12O15	870.3832	NA	PeJP	NA	NA
+PJ060394	SLKMMMM 	C35H66N8O9S4	870.3836	NA	PeJP	NA	NA
+PJ060395	DMMRRY 	C35H58N12O10S2	870.3841	NA	PeJP	NA	NA
+PJ060396	GQQQHHH 	C35H50N16O11	870.3845	NA	PeJP	NA	NA
+PJ060397	GGGAAQHHH 	C35H50N16O11	870.3846	NA	PeJP	NA	NA
+PJ060398	PCFRYW 	C43H54N10O8S	870.3847	NA	PeJP	NA	NA
+PJ060399	FFWWW 	C51H50N8O6	870.3854	NA	PeJP	NA	NA
+PJ060400	SSSNKYW 	C39H54N10O13	870.3872	NA	PeJP	NA	NA
+PJ060401	GCNEHRR 	C32H54N16O11S	870.3879	NA	PeJP	NA	NA
+PJ060402	CLMRYW 	C40H58N10O8S2	870.3881	NA	PeJP	NA	NA
+MJ096611	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H62O19	870.388529	NA	MeJP	NA	NA
+MJ096612	3,8,14-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C42H62O19	870.388529	NA	MeJP	NA	NA
+MJ096613	Thevetiogenin; 19-Oxo, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C42H62O19	870.388529	NA	MeJP	NA	NA
+PJ060403	GPTHHHW 	C40H50N14O9	870.3886	NA	PeJP	NA	NA
+PJ060404	ATTEMRY 	C36H58N10O13S	870.3906	NA	PeJP	NA	NA
+PJ060405	PDKYYW 	C44H54N8O11	870.3912	NA	PeJP	NA	NA
+PJ060406	GGAPEFFF 	C44H54N8O11	870.3913	NA	PeJP	NA	NA
+PJ060407	GVMMMFR 	C37H62N10O8S3	870.3915	NA	PeJP	NA	NA
+PJ060408	NQMHRW 	C37H54N14O9S	870.3919	NA	PeJP	NA	NA
+PJ060409	HHHFFF 	C45H50N12O7	870.3926	NA	PeJP	NA	NA
+PJ060410	SSSSSSTTK 	C32H58N10O18	870.3931	NA	PeJP	NA	NA
+PJ060411	SSSTCKKM 	C33H62N10O13S2	870.3939	NA	PeJP	NA	NA
+PJ060412	SSQQEHR 	C33H54N14O14	870.3944	NA	PeJP	NA	NA
+PJ060413	GGGGGGPQER 	C33H54N14O14	870.3945	NA	PeJP	NA	NA
+PJ060414	GTTLMYW 	C41H58N8O11S	870.3946	NA	PeJP	NA	NA
+PJ060415	CCKKKMM 	C34H66N10O8S4	870.3948	NA	PeJP	NA	NA
+PJ060416	TFFFFY 	C49H54N6O9	870.3953	NA	PeJP	NA	NA
+PJ060417	GNNHHHR 	C34H50N18O10	870.3958	NA	PeJP	NA	NA
+PJ060418	TTTKEEY 	C37H58N8O16	870.3971	NA	PeJP	NA	NA
+PJ060419	GLKEMMY 	C38H62N8O11S2	870.398	NA	PeJP	NA	NA
+PJ060420	ATTQQHW 	C38H54N12O12	870.3984	NA	PeJP	NA	NA
+PJ060421	SPPNDRW 	C38H54N12O12	870.3985	NA	PeJP	NA	NA
+PJ060422	SSCQKRY 	C35H58N12O12S	870.4018	NA	PeJP	NA	NA
+PJ060423	GGGGGGGPPKM 	C35H58N12O12S	870.4019	NA	PeJP	NA	NA
+PJ060424	TLEHWW 	C43H54N10O10	870.4025	NA	PeJP	NA	NA
+PJ060425	MMMFRR 	C36H62N12O7S3	870.4027	NA	PeJP	NA	NA
+PJ060426	CNHRRW 	C36H54N16O8S	870.4032	NA	PeJP	NA	NA
+PJ060427	SSNDHRR 	C32H54N16O13	870.4057	NA	PeJP	NA	NA
+PJ060428	GSCKKYW 	C40H58N10O10S	870.4058	NA	PeJP	NA	NA
+PJ060429	GVLEMHW 	C40H58N10O10S	870.4059	NA	PeJP	NA	NA
+PJ060430	GLFYWW 	C48H54N8O8	870.4065	NA	PeJP	NA	NA
+PJ060431	TTTTERY 	C36H58N10O15	870.4083	NA	PeJP	NA	NA
+PJ060432	VTKEEEH 	C36H58N10O15	870.4084	NA	PeJP	NA	NA
+PJ060433	GTLMMRY 	C37H62N10O10S2	870.4092	NA	PeJP	NA	NA
+PJ060434	GSTQHRW 	C37H54N14O11	870.4097	NA	PeJP	NA	NA
+PJ060435	PKMFYW 	C45H58N8O8S	870.4099	NA	PeJP	NA	NA
+PJ060436	STTTLYW 	C41H58N8O13	870.4123	NA	PeJP	NA	NA
+PJ060437	PPTLEEW 	C41H58N8O13	870.4124	NA	PeJP	NA	NA
+PJ060438	ATQQMHR 	C34H58N14O11S	870.413	NA	PeJP	NA	NA
+PJ060439	PPCNERR 	C34H58N14O11S	870.4131	NA	PeJP	NA	NA
+PJ060440	LKMMYW 	C42H62N8O8S2	870.4132	NA	PeJP	NA	NA
+PJ060441	SQKHWW 	C42H54N12O9	870.4137	NA	PeJP	NA	NA
+PJ060442	STLKEMY 	C38H62N8O13S	870.4157	NA	PeJP	NA	NA
+PJ060443	GPPVLEEM 	C38H62N8O13S	870.4158	NA	PeJP	NA	NA
+PJ060444	ALKMMMF 	C39H66N8O8S3	870.4166	NA	PeJP	NA	NA
+PJ060445	LEMHRW 	C39H58N12O9S	870.4171	NA	PeJP	NA	NA
+PJ060446	PVHFWW 	C47H54N10O7	870.4177	NA	PeJP	NA	NA
+PJ060447	GSSSSKRY 	C35H58N12O14	870.4196	NA	PeJP	NA	NA
+PJ060448	ACCKKRY 	C36H62N12O9S2	870.4204	NA	PeJP	NA	NA
+PJ060449	SPLMMHR 	C36H62N12O9S2	870.4205	NA	PeJP	NA	NA
+PJ060450	GVEHHHR 	C36H54N16O10	870.4209	NA	PeJP	NA	NA
+PJ060451	VLMHWW 	C44H58N10O7S	870.4211	NA	PeJP	NA	NA
+PJ060452	SSLLEHW 	C40H58N10O12	870.4236	NA	PeJP	NA	NA
+PJ060453	GSQMHRR 	C33H58N16O10S	870.4243	NA	PeJP	NA	NA
+PJ060454	QHHFFR 	C41H54N14O8	870.4249	NA	PeJP	NA	NA
+MJ096614	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-6-deoxy-3-O-methyl-?-D-galactopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C43H66O18	870.424915	NA	MeJP	NA	NA
+MJ096615	Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C43H66O18	870.424915	NA	MeJP	NA	NA
+PJ060455	AALHHHW 	C41H54N14O8	870.425	NA	PeJP	NA	NA
+PJ060456	STTLMRY 	C37H62N10O12S	870.427	NA	PeJP	NA	NA
+PJ060457	VLQYYW 	C45H58N8O10	870.4276	NA	PeJP	NA	NA
+PJ060458	GPPCRRW 	C38H58N14O8S	870.4283	NA	PeJP	NA	NA
+PJ060459	GPQEERR 	C34H58N14O13	870.4308	NA	PeJP	NA	NA
+PJ060460	PPVLEMW 	C42H62N8O10S	870.431	NA	PeJP	NA	NA
+PJ060461	PCCKKHR 	C35H62N14O8S2	870.4317	NA	PeJP	NA	NA
+PJ060462	EHHHRR 	C35H54N18O9	870.4322	NA	PeJP	NA	NA
+PJ060463	SSSTTLLY 	C38H62N8O15	870.4335	NA	PeJP	NA	NA
+PJ060464	SVLKMMY 	C39H66N8O10S2	870.4344	NA	PeJP	NA	NA
+PJ060465	GPVQERW 	C39H58N12O11	870.4348	NA	PeJP	NA	NA
+PJ060466	GGGPLERW 	C39H58N12O11	870.4349	NA	PeJP	NA	NA
+PJ060467	GSCHRRR 	C32H58N18O9S	870.4355	NA	PeJP	NA	NA
+PJ060468	VHHHRW 	C40H54N16O7	870.4362	NA	PeJP	NA	NA
+PJ060469	SSCKKRY 	C36H62N12O11S	870.4382	NA	PeJP	NA	NA
+PJ060470	GPPTKWW 	C44H58N10O9	870.4389	NA	PeJP	NA	NA
+MJ096616	24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[4-Methoxybenzoyl-(?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C47H66O15	870.440171	NA	MeJP	NA	NA
+MJ096617	Neoleurosidine 	C48H62N4O11	870.441508	NA	MeJP	NA	NA
+PJ060471	SSTQHRR 	C33H58N16O12	870.442	NA	PeJP	NA	NA
+PJ060472	GPDDRRR 	C33H58N16O12	870.4421	NA	PeJP	NA	NA
+PJ060473	ATLLMHW 	C41H62N10O9S	870.4422	NA	PeJP	NA	NA
+PJ060474	PKFFFW 	C49H58N8O7	870.4429	NA	PeJP	NA	NA
+PJ060475	GSSTTKKY 	C37H62N10O14	870.4447	NA	PeJP	NA	NA
+PJ060476	GGGGAPTLLE 	C37H62N10O14	870.4448	NA	PeJP	NA	NA
+PJ060477	ACKKKMY 	C38H66N10O9S2	870.4456	NA	PeJP	NA	NA
+PJ060478	PQERRW 	C38H58N14O10	870.4461	NA	PeJP	NA	NA
+PJ060479	LKMFFW 	C46H62N8O7S	870.4463	NA	PeJP	NA	NA
+PJ060480	AVVKEYY 	C42H62N8O12	870.4487	NA	PeJP	NA	NA
+PJ060481	PVVLEEW 	C42H62N8O12	870.4488	NA	PeJP	NA	NA
+PJ060482	SPPQMRR 	C35H62N14O10S	870.4494	NA	PeJP	NA	NA
+PJ060483	GGPPTMRR 	C35H62N14O10S	870.4495	NA	PeJP	NA	NA
+PJ060484	PVQRWW 	C43H58N12O8	870.4501	NA	PeJP	NA	NA
+PJ060485	APPTLLEM 	C39H66N8O12S	870.4521	NA	PeJP	NA	NA
+PJ060486	GPPKMRW 	C40H62N12O8S	870.4535	NA	PeJP	NA	NA
+PJ060487	PVNKEER 	C36H62N12O13	870.456	NA	PeJP	NA	NA
+PJ060488	ALLMMHR 	C37H66N12O8S2	870.4568	NA	PeJP	NA	NA
+PJ060489	QQHFRR 	C37H58N16O9	870.4573	NA	PeJP	NA	NA
+PJ060490	TTTLLHW 	C41H62N10O11	870.46	NA	PeJP	NA	NA
+PJ060491	SPPCRRR 	C34H62N16O9S	870.4607	NA	PeJP	NA	NA
+MJ096618	2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-?-D-glucopyranosyl ester, 30-Ac 	C44H70O17	870.4613	NA	MeJP	NA	NA
+MJ096619	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[?-D-cymaropyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranoside] 	C44H70O17	870.4613	NA	MeJP	NA	NA
+MJ096620	Spirost-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C44H70O17	870.4613	NA	MeJP	NA	NA
+MJ096621	Spirost-5-ene-1,3-diol, 1-O-[?-D-Xylopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-fucopyranoside] 	C44H70O17	870.4613	NA	MeJP	NA	NA
+MJ096622	Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-fucopyranoside] 	C44H70O17	870.4613	NA	MeJP	NA	NA
+MJ096623	Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinofuranosyl-(1?4)-?-D-glucopyranoside] 	C44H70O17	870.4613	NA	MeJP	NA	NA
+MJ096624	Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O17	870.4613	NA	MeJP	NA	NA
+PJ060492	APRRWW 	C42H58N14O7	870.4613	NA	PeJP	NA	NA
+PJ060493	SSKKKMY 	C38H66N10O11S	870.4633	NA	PeJP	NA	NA
+PJ060494	TLLKEMH 	C38H66N10O11S	870.4634	NA	PeJP	NA	NA
+PJ060495	VLKYYW 	C46H62N8O9	870.464	NA	PeJP	NA	NA
+PJ060496	GPKEERR 	C35H62N14O12	870.4672	NA	PeJP	NA	NA
+PJ060497	GLLKMFY 	C43H66N8O9S	870.4674	NA	PeJP	NA	NA
+PJ060498	GPTLLLEE 	C39H66N8O14	870.4699	NA	PeJP	NA	NA
+PJ060499	GPPLLLMM 	C40H70N8O9S2	870.4708	NA	PeJP	NA	NA
+PJ060500	GPVKERW 	C40H62N12O10	870.4712	NA	PeJP	NA	NA
+PJ060501	TTLLMHR 	C37H66N12O10S	870.4746	NA	PeJP	NA	NA
+PJ060502	AAPLKWW 	C45H62N10O8	870.4752	NA	PeJP	NA	NA
+PJ060503	GPVVKWW 	C45H62N10O8	870.4753	NA	PeJP	NA	NA
+MJ096625	Avermectin B1a; 5-Ketone 	C48H70O14	870.476556	NA	MeJP	NA	NA
+PJ060504	GPTERRR 	C34H62N16O11	870.4784	NA	PeJP	NA	NA
+PJ060505	GGGGSPKRR 	C34H62N16O11	870.4785	NA	PeJP	NA	NA
+PJ060506	PPCLKKW 	C42H66N10O8S	870.4786	NA	PeJP	NA	NA
+PJ060507	SSTTLLLH 	C38H66N10O13	870.4811	NA	PeJP	NA	NA
+PJ060508	VLLKMMH 	C39H70N10O8S2	870.482	NA	PeJP	NA	NA
+PJ060509	PKERRW 	C39H62N14O9	870.4825	NA	PeJP	NA	NA
+PJ060510	PTLLLEW 	C43H66N8O11	870.4851	NA	PeJP	NA	NA
+PJ060511	GPPVLLEF 	C43H66N8O11	870.4852	NA	PeJP	NA	NA
+PJ060512	SPPKMRR 	C36H66N14O9S	870.4858	NA	PeJP	NA	NA
+PJ060513	PVKRWW 	C44H62N12O7	870.4865	NA	PeJP	NA	NA
+PJ060514	GPVLLLEM 	C40H70N8O11S	870.4885	NA	PeJP	NA	NA
+PJ060515	QQQRRR 	C33H62N18O10	870.4897	NA	PeJP	NA	NA
+PJ060516	PTLQKER 	C37H66N12O12	870.4923	NA	PeJP	NA	NA
+PJ060517	PVDKKER 	C37H66N12O12	870.4924	NA	PeJP	NA	NA
+PJ060518	PTRRRW 	C38H62N16O8	870.4937	NA	PeJP	NA	NA
+PJ060519	APLKKEW 	C42H66N10O10	870.4964	NA	PeJP	NA	NA
+PJ060520	GPVMRRR 	C35H66N16O8S	870.4971	NA	PeJP	NA	NA
+MJ096626	Cycloartane-3,6,16,24,25-pentol, 3-O-(2,3-Di-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C45H74O16	870.497686	NA	MeJP	NA	NA
+MJ096627	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O16	870.497686	NA	MeJP	NA	NA
+PJ060521	PLLLEMR 	C39H70N10O10S	870.4998	NA	PeJP	NA	NA
+PJ060522	PPVLLFW 	C47H66N8O8	870.5004	NA	PeJP	NA	NA
+PJ060523	NNRRRR 	C32H62N20O9	870.5009	NA	PeJP	NA	NA
+PJ060524	SPVKERR 	C36H66N14O11	870.5036	NA	PeJP	NA	NA
+PJ060525	PVLLLMW 	C44H70N8O8S	870.5038	NA	PeJP	NA	NA
+PJ060526	AALLLLEE 	C40H70N8O13	870.5063	NA	PeJP	NA	NA
+MJ096628	Xuxuarine B?; 22'-Deoxy 	C56H70O8	870.507069	NA	MeJP	NA	NA
+MJ096629	Xuxuarine B?; 22-Deoxy 	C56H70O8	870.507069	NA	MeJP	NA	NA
+PJ060527	APTLKRW 	C41H66N12O9	870.5076	NA	PeJP	NA	NA
+PJ060528	PMRRRR 	C34H66N18O7S	870.5083	NA	PeJP	NA	NA
+PJ060529	PVLQKMR 	C38H70N12O9S	870.511	NA	PeJP	NA	NA
+PJ060530	AALERRR 	C35H66N16O10	870.5148	NA	PeJP	NA	NA
+PJ060531	VLLLEER 	C39H70N10O12	870.5175	NA	PeJP	NA	NA
+PJ060532	LLQRRW 	C40H66N14O8	870.5188	NA	PeJP	NA	NA
+PJ060533	GALLRRW 	C40H66N14O8	870.5189	NA	PeJP	NA	NA
+PJ060534	VVLLLEW 	C44H70N8O10	870.5215	NA	PeJP	NA	NA
+PJ060535	APLKMRR 	C37H70N14O8S	870.5222	NA	PeJP	NA	NA
+PJ060536	APTLLLLM 	C41H74N8O10S	870.5249	NA	PeJP	NA	NA
+PJ060537	VERRRR 	C34H66N18O9	870.5261	NA	PeJP	NA	NA
+PJ060538	PTLKKER 	C38H70N12O11	870.5287	NA	PeJP	NA	NA
+PJ060539	GGVLLKER 	C38H70N12O11	870.5288	NA	PeJP	NA	NA
+PJ060540	VVRRRW 	C39H66N16O7	870.5301	NA	PeJP	NA	NA
+PJ060541	SPLLKKW 	C43H70N10O9	870.5328	NA	PeJP	NA	NA
+PJ060542	AAPLLKKM 	C40H74N10O9S	870.5361	NA	PeJP	NA	NA
+PJ060543	GLLKERR 	C37H70N14O10	870.54	NA	PeJP	NA	NA
+PJ060544	GTLLLLLE 	C41H74N8O12	870.5427	NA	PeJP	NA	NA
+PJ060545	GVLLKRW 	C42H70N12O8	870.544	NA	PeJP	NA	NA
+PJ060546	PVLKKMR 	C39H74N12O8S	870.5474	NA	PeJP	NA	NA
+MJ096630	Withaferin A; 27-O-(6-O-Hexadecanoyl-?-D-glucopyranoside) 	C50H78O12	870.549327	NA	MeJP	NA	NA
+PJ060547	GTLLRRR 	C36H70N16O9	870.5512	NA	PeJP	NA	NA
+PJ060548	LLLQKKE 	C40H74N10O11	870.5539	NA	PeJP	NA	NA
+PJ060549	LLKRRW 	C41H70N14O7	870.5552	NA	PeJP	NA	NA
+PJ060550	TLLLLLW 	C45H74N8O9	870.5579	NA	PeJP	NA	NA
+PJ060551	GVLLLLLM 	C42H78N8O9S	870.5613	NA	PeJP	NA	NA
+PJ060552	QKKRRR 	C35H70N18O8	870.5624	NA	PeJP	NA	NA
+PJ060553	GAKKRRR 	C35H70N18O8	870.5625	NA	PeJP	NA	NA
+PJ060554	VVLKKER 	C39H74N12O10	870.5651	NA	PeJP	NA	NA
+C05797	Pheophytin a	C55H74N4O5	870.5659	NA	KEGG	NA	NA
+PJ060555	VVVLKKW 	C44H74N10O8	870.5691	NA	PeJP	NA	NA
+PJ060556	ALLLKKW 	C44H74N10O8	870.5692	NA	PeJP	NA	NA
+MJ096631	Antibiotic CP 47433 	C47H82O14	870.570457	NA	MeJP	NA	NA
+MJ096632	Antibiotic X 206 	C47H82O14	870.570457	NA	MeJP	NA	NA
+PJ060557	LLLLLMR 	C41H78N10O8S	870.5725	NA	PeJP	NA	NA
+PJ060558	SVLLKRR 	C38H74N14O9	870.5764	NA	PeJP	NA	NA
+PJ060559	SSLLLLLL 	C42H78N8O11	870.579	NA	PeJP	NA	NA
+PJ060560	GVKKKRR 	C37H74N16O8	870.5876	NA	PeJP	NA	NA
+PJ060561	LLLKKKE 	C41H78N10O10	870.5903	NA	PeJP	NA	NA
+PJ060562	KKKRRR 	C36H74N18O7	870.5988	NA	PeJP	NA	NA
+PJ060563	TLLLKKR 	C40H78N12O9	870.6015	NA	PeJP	NA	NA
+PJ060564	ALKKKKR 	C39H78N14O8	870.6127	NA	PeJP	NA	NA
+PJ060565	VLKKKKK 	C41H82N12O8	870.6379	NA	PeJP	NA	NA
+MJ096633	2-Amino-17-methyl-1,3,4-octadecanetriol, N-Tricosanoyl, 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C50H98N2O9	870.727232	NA	MeJP	NA	NA
+MJ096634	Dohexacontane 	C62H126	870.985954	NA	MeJP	NA	NA
+C00512	S-Benzoate coenzyme A	C28H40N7O17P3S	871.1414	NA	KEGG	NA	NA
+HMDB02252	Benzoyl-CoA	C28H40N7O17P3S	871.141418	NA	HMDB2010	NA	NA
+HMDB02252	Benzoyl-CoA	C28H40N7O17P3S	871.14142	http://www.hmdb.ca/metabolites/HMDB02252	HMDB	NA	NA
+HMDB02252	Benzoyl-CoA	C28H40N7O17P3S	871.14142	HMDB02252	PFEM_hmdb_metabocards_official	NA	NA
+MJ096635	S-benzoate Coenzyme A 	C28H40N7O17P3S	871.141423	NA	MeJP	NA	NA
+MetaCyc04219	benzoyl-S-CoA [S-benzoate coenzyme A;benzoyl-CoA;]	C28H40N7O17P3S1	871.141423	NA	metacyc	NA	NA
+MetaCyc04220	benzoyl-CoA []	C28H40N7O17P3S1	871.141423	102185-37-5	metacyc	NA	NA
+PJ060566	SCCCCCNH 	C28H45N11O11S5	871.1904	NA	PeJP	NA	NA
+PJ060567	PCCCCNDD 	C29H45N9O14S4	871.1969	NA	PeJP	NA	NA
+PJ060568	CCCCDYY 	C34H45N7O12S4	871.2009	NA	PeJP	NA	NA
+PJ060569	GCCNDDDM 	C29H45N9O16S3	871.2147	NA	PeJP	NA	NA
+PJ060570	GSPPCCCCC 	C30H49N9O11S5	871.2156	NA	PeJP	NA	NA
+PJ060571	CCCCMFY 	C35H49N7O9S5	871.2196	NA	PeJP	NA	NA
+PJ060572	SCCCNNND 	C28H45N11O15S3	871.2259	NA	PeJP	NA	NA
+PJ060573	CCCNDEW 	C33H45N9O13S3	871.2299	NA	PeJP	NA	NA
+PJ060574	SSCCNDDE 	C29H45N9O18S2	871.2324	NA	PeJP	NA	NA
+PJ060575	SPCCCNDM 	C30H49N9O13S4	871.2333	NA	PeJP	NA	NA
+PJ060576	DDDDDDY 	C33H41N7O21	871.2356	NA	PeJP	NA	NA
+PJ060577	SCCCMYY 	C35H49N7O11S4	871.2373	NA	PeJP	NA	NA
+PJ060578	DDDDMMM 	C31H49N7O16S3	871.2398	NA	PeJP	NA	NA
+PJ060579	GCCCNNQM 	C29H49N11O12S4	871.2445	NA	PeJP	NA	NA
+PJ060580	GGGGGCCCQM 	C29H49N11O12S4	871.2446	NA	PeJP	NA	NA
+PJ060581	GCCCDWW 	C37H45N9O10S3	871.2452	NA	PeJP	NA	NA
+PJ060582	GSSCCDDW 	C33H45N9O15S2	871.2477	NA	PeJP	NA	NA
+PJ060583	GPTCCCCW 	C34H49N9O10S4	871.2486	NA	PeJP	NA	NA
+PJ060584	GSSSSCDDD 	C29H45N9O20S	871.2502	NA	PeJP	NA	NA
+PJ060585	GSCNDDMM 	C30H49N9O15S3	871.2511	NA	PeJP	NA	NA
+PJ060586	GPCCCQMM 	C31H53N9O10S5	871.2519	NA	PeJP	NA	NA
+PJ060587	CCCCFFF 	C39H49N7O8S4	871.2526	NA	PeJP	NA	NA
+PJ060588	DDDDDMF 	C34H45N7O18S	871.2542	NA	PeJP	NA	NA
+PJ060589	GCCCCNNR 	C28H49N13O11S4	871.2558	NA	PeJP	NA	NA
+PJ060590	CDDDMHH 	C32H45N11O14S2	871.2589	NA	PeJP	NA	NA
+PJ060591	GSCCCDER 	C29H49N11O14S3	871.2623	NA	PeJP	NA	NA
+PJ060592	GPCCCCMR 	C30H53N11O9S5	871.2632	NA	PeJP	NA	NA
+PJ060593	CNNDDEY 	C33H45N9O17S	871.2654	NA	PeJP	NA	NA
+PJ060594	GGCNDDEY 	C33H45N9O17S	871.2655	NA	PeJP	NA	NA
+PJ060595	SCCNEMW 	C34H49N9O12S3	871.2663	NA	PeJP	NA	NA
+PJ060596	SSSCNDEM 	C30H49N9O17S2	871.2688	NA	PeJP	NA	NA
+PJ060597	CNNEMMM 	C31H53N9O12S4	871.2697	NA	PeJP	NA	NA
+PJ060598	GSCCNDHH 	C31H45N13O13S2	871.2702	NA	PeJP	NA	NA
+PJ060599	ACCCFYY 	C39H49N7O10S3	871.2703	NA	PeJP	NA	NA
+PJ060600	SDDDEEY 	C34H45N7O20	871.272	NA	PeJP	NA	NA
+PJ060601	PCDDEMY 	C35H49N7O15S2	871.2728	NA	PeJP	NA	NA
+PJ060602	SDEEMMM 	C32H53N7O15S3	871.2762	NA	PeJP	NA	NA
+PJ060603	GPCNDDDH 	C32H45N11O16S	871.2767	NA	PeJP	NA	NA
+PJ060604	PCEMMMM 	C33H57N7O10S5	871.2771	NA	PeJP	NA	NA
+PJ060605	SCCCDRW 	C33H49N11O11S3	871.2775	NA	PeJP	NA	NA
+PJ060606	GSSSSCCNQ 	C29H49N11O16S2	871.28	NA	PeJP	NA	NA
+PJ060607	SSSCCDDR 	C29H49N11O16S2	871.2801	NA	PeJP	NA	NA
+PJ060608	GCNDDYW 	C37H45N9O14S	871.2807	NA	PeJP	NA	NA
+PJ060609	CCNDMMR 	C30H53N11O11S4	871.2809	NA	PeJP	NA	NA
+PJ060610	GSCCMWW 	C38H49N9O9S3	871.2816	NA	PeJP	NA	NA
+PJ060611	GSSNDDDY 	C33H45N9O19	871.2832	NA	PeJP	NA	NA
+PJ060612	GSSSCDMW 	C34H49N9O14S2	871.2841	NA	PeJP	NA	NA
+PJ060613	GCNMMMW 	C35H53N9O9S4	871.2849	NA	PeJP	NA	NA
+PJ060614	GGGCMMMW 	C35H53N9O9S4	871.285	NA	PeJP	NA	NA
+PJ060615	GSSSSSDDM 	C30H49N9O19S	871.2866	NA	PeJP	NA	NA
+PJ060616	GSSNDMMM 	C31H53N9O14S3	871.2874	NA	PeJP	NA	NA
+PJ060617	GGGSSDMMM 	C31H53N9O14S3	871.2875	NA	PeJP	NA	NA
+PJ060618	GTCCYYY 	C39H49N7O12S2	871.2881	NA	PeJP	NA	NA
+PJ060619	GPCCCKMM 	C32H57N9O9S5	871.2883	NA	PeJP	NA	NA
+PJ060620	CCNQMHH 	C32H49N13O10S3	871.2888	NA	PeJP	NA	NA
+PJ060621	GDEEEMY 	C35H49N7O17S	871.2906	NA	PeJP	NA	NA
+PJ060622	PCDEMMF 	C36H53N7O12S3	871.2915	NA	PeJP	NA	NA
+PJ060623	CCCCERR 	C29H53N13O10S4	871.2922	NA	PeJP	NA	NA
+PJ060624	NNDDEEH 	C32H45N11O18	871.2944	NA	PeJP	NA	NA
+PJ060625	GGNDDEEH 	C32H45N11O18	871.2945	NA	PeJP	NA	NA
+PJ060626	AEEMMMM 	C33H57N7O12S4	871.2948	NA	PeJP	NA	NA
+PJ060627	CNNNNMY 	C33H49N11O13S2	871.2953	NA	PeJP	NA	NA
+PJ060628	ACCCMRW 	C34H53N11O8S4	871.2962	NA	PeJP	NA	NA
+PJ060629	SSSSSSCNN 	C29H49N11O18S	871.2978	NA	PeJP	NA	NA
+PJ060630	GSSCCEMR 	C30H53N11O13S3	871.2987	NA	PeJP	NA	NA
+PJ060631	SSTCCWW 	C38H49N9O11S2	871.2993	NA	PeJP	NA	NA
+PJ060632	CCCNHHR 	C31H49N15O9S3	871.3	NA	PeJP	NA	NA
+PJ060633	SSSSSCEW 	C34H49N9O16S	871.3018	NA	PeJP	NA	NA
+PJ060634	GGPPPCDDD 	C34H49N9O16S	871.3019	NA	PeJP	NA	NA
+PJ060635	SSCQMMW 	C35H53N9O11S3	871.3027	NA	PeJP	NA	NA
+PJ060636	SSSSSSSDE 	C30H49N9O21	871.3043	NA	PeJP	NA	NA
+PJ060637	SSSSNEMM 	C31H53N9O16S2	871.3052	NA	PeJP	NA	NA
+PJ060638	GSNNNDDH 	C31H45N13O17	871.3057	NA	PeJP	NA	NA
+PJ060639	SSSCYYY 	C39H49N7O14S	871.3058	NA	PeJP	NA	NA
+PJ060640	DEEMYW 	C39H49N7O14S	871.3059	NA	PeJP	NA	NA
+PJ060641	SNQMMMM 	C32H57N9O11S4	871.3061	NA	PeJP	NA	NA
+PJ060642	GSSCNMHH 	C32H49N13O12S2	871.3065	NA	PeJP	NA	NA
+PJ060643	GGGSSCMHH 	C32H49N13O12S2	871.3066	NA	PeJP	NA	NA
+PJ060644	SSEEEEY 	C35H49N7O19	871.3083	NA	PeJP	NA	NA
+PJ060645	SPDEMMY 	C36H53N7O14S2	871.3092	NA	PeJP	NA	NA
+PJ060646	GNDDEHW 	C36H45N11O15	871.3097	NA	PeJP	NA	NA
+PJ060647	PPCMMMY 	C37H57N7O9S4	871.3101	NA	PeJP	NA	NA
+PJ060648	PCCEHHF 	C37H49N11O10S2	871.3106	NA	PeJP	NA	NA
+PJ060649	TTEEMMM 	C33H57N7O14S3	871.3126	NA	PeJP	NA	NA
+PJ060650	SCNDDRY 	C33H49N11O15S	871.3131	NA	PeJP	NA	NA
+PJ060651	PTMMMMM 	C34H61N7O9S5	871.3135	NA	PeJP	NA	NA
+PJ060652	SSCCMRW 	C34H53N11O10S3	871.3139	NA	PeJP	NA	NA
+PJ060653	GGAPPCCMH 	C34H53N11O10S3	871.314	NA	PeJP	NA	NA
+PJ060654	SCDHHHH 	C34H45N15O11S	871.3144	NA	PeJP	NA	NA
+PJ060655	CCQFWW 	C42H49N9O8S2	871.3146	NA	PeJP	NA	NA
+PJ060656	SSSSCDMR 	C30H53N11O15S2	871.3164	NA	PeJP	NA	NA
+PJ060657	GSNDMYW 	C38H49N9O13S	871.3171	NA	PeJP	NA	NA
+PJ060658	SCNMMMR 	C31H57N11O10S4	871.3173	NA	PeJP	NA	NA
+PJ060659	GCMMHFF 	C39H53N9O8S3	871.318	NA	PeJP	NA	NA
+PJ060660	GSSSNEEY 	C34H49N9O18	871.3196	NA	PeJP	NA	NA
+PJ060661	GSSSSMMW 	C35H53N9O13S2	871.3205	NA	PeJP	NA	NA
+PJ060662	PDDDHHH 	C35H45N13O14	871.3209	NA	PeJP	NA	NA
+PJ060663	CNFYYY 	C43H49N7O11S	871.3211	NA	PeJP	NA	NA
+PJ060664	ACCKMMW 	C36H57N9O8S4	871.3213	NA	PeJP	NA	NA
+PJ060665	GSSSSSTEM 	C31H53N9O18S	871.3229	NA	PeJP	NA	NA
+PJ060666	ASSSSSSEM 	C31H53N9O18S	871.323	NA	PeJP	NA	NA
+PJ060667	GPDEEYY 	C39H49N7O16	871.3236	NA	PeJP	NA	NA
+PJ060668	GSSTQMMM 	C32H57N9O13S3	871.3238	NA	PeJP	NA	NA
+PJ060669	SSSSCQHH 	C32H49N13O14S	871.3243	NA	PeJP	NA	NA
+PJ060670	EEMMFW 	C40H53N7O11S2	871.3245	NA	PeJP	NA	NA
+PJ060671	NDDHWW 	C40H45N11O12	871.325	NA	PeJP	NA	NA
+PJ060672	GPPCCCHR 	C33H53N13O9S3	871.3252	NA	PeJP	NA	NA
+PJ060673	ATEEEMY 	C36H53N7O16S	871.327	NA	PeJP	NA	NA
+PJ060674	APEMMMY 	C37H57N7O11S3	871.3278	NA	PeJP	NA	NA
+PJ060675	PTDMMMF 	C37H57N7O11S3	871.3279	NA	PeJP	NA	NA
+PJ060676	SPCNEHW 	C37H49N11O12S	871.3283	NA	PeJP	NA	NA
+PJ060677	GGGGGGGGCFF 	C37H49N11O12S	871.3284	NA	PeJP	NA	NA
+PJ060678	TCCCMRR 	C30H57N13O9S4	871.3285	NA	PeJP	NA	NA
+PJ060679	MMMHHW 	C38H53N11O7S3	871.3292	NA	PeJP	NA	NA
+PJ060680	SSSSNNNY 	C33H49N11O17	871.3308	NA	PeJP	NA	NA
+PJ060681	GGGGGGSPPDD 	C33H49N11O17	871.3309	NA	PeJP	NA	NA
+PJ060682	SLEMMMM 	C34H61N7O11S4	871.3312	NA	PeJP	NA	NA
+PJ060683	GCNEMRY 	C34H53N11O12S2	871.3317	NA	PeJP	NA	NA
+PJ060684	SCQYWW 	C42H49N9O10S	871.3323	NA	PeJP	NA	NA
+PJ060685	ACMHHHH 	C35H49N15O8S2	871.333	NA	PeJP	NA	NA
+PJ060686	SSSNEYW 	C38H49N9O15	871.3348	NA	PeJP	NA	NA
+PJ060687	GGPPDDEW 	C38H49N9O15	871.3349	NA	PeJP	NA	NA
+PJ060688	GSSTCMMR 	C31H57N11O12S3	871.3351	NA	PeJP	NA	NA
+PJ060689	CNNNDHR 	C31H49N15O13S	871.3355	NA	PeJP	NA	NA
+PJ060690	GGGGCNDHR 	C31H49N15O13S	871.3356	NA	PeJP	NA	NA
+PJ060691	NQMMYW 	C39H53N9O10S2	871.3357	NA	PeJP	NA	NA
+PJ060692	SSSSSTMW 	C35H53N9O15S	871.3382	NA	PeJP	NA	NA
+PJ060693	SNYYYY 	C43H49N7O13	871.3388	NA	PeJP	NA	NA
+PJ060694	PDEYYW 	C43H49N7O13	871.3389	NA	PeJP	NA	NA
+PJ060695	SSCKMMW 	C36H57N9O10S3	871.3391	NA	PeJP	NA	NA
+PJ060696	GNNNMHW 	C36H49N13O11S	871.3396	NA	PeJP	NA	NA
+PJ060697	SSSSSSTTE 	C31H53N9O20	871.3407	NA	PeJP	NA	NA
+PJ060698	SSSSDKMM 	C32H57N9O15S2	871.3416	NA	PeJP	NA	NA
+PJ060699	SNDDEHR 	C32H49N13O16	871.3421	NA	PeJP	NA	NA
+PJ060700	SPPDMYY 	C40H53N7O13S	871.3422	NA	PeJP	NA	NA
+PJ060701	SNKMMMM 	C33H61N9O10S4	871.3424	NA	PeJP	NA	NA
+PJ060702	GGSKMMMM 	C33H61N9O10S4	871.3425	NA	PeJP	NA	NA
+PJ060703	GCCDRRY 	C33H53N13O11S2	871.3429	NA	PeJP	NA	NA
+PJ060704	GGGGGPCCKH 	C33H53N13O11S2	871.343	NA	PeJP	NA	NA
+PJ060705	PPCMMFF 	C41H57N7O8S3	871.3431	NA	PeJP	NA	NA
+PJ060706	GSPCHWW 	C41H49N11O9S	871.3436	NA	PeJP	NA	NA
+PJ060707	TTTEEEY 	C36H53N7O18	871.3447	NA	PeJP	NA	NA
+PJ060708	GLEEMMY 	C37H57N7O13S2	871.3456	NA	PeJP	NA	NA
+PJ060709	GSQEEHW 	C37H49N11O14	871.3461	NA	PeJP	NA	NA
+PJ060710	PCLMMMF 	C38H61N7O8S4	871.3465	NA	PeJP	NA	NA
+PJ060711	CNMRYW 	C38H53N11O9S2	871.3469	NA	PeJP	NA	NA
+PJ060712	GGCMRYW 	C38H53N11O9S2	871.347	NA	PeJP	NA	NA
+PJ060713	SSNDMRY 	C34H53N11O14S	871.3494	NA	PeJP	NA	NA
+PJ060714	GGSSDMRY 	C34H53N11O14S	871.3495	NA	PeJP	NA	NA
+PJ060715	VVMMMMM 	C35H65N7O8S5	871.3499	NA	PeJP	NA	NA
+PJ060716	GSSSYWW 	C42H49N9O12	871.3501	NA	PeJP	NA	NA
+PJ060717	PCCCKRY 	C35H57N11O9S3	871.3503	NA	PeJP	NA	NA
+PJ060718	SSMHHHH 	C35H49N15O10S	871.3508	NA	PeJP	NA	NA
+PJ060719	CCKFWW 	C43H53N9O7S2	871.351	NA	PeJP	NA	NA
+PJ060720	SSSSSMMR 	C31H57N11O14S2	871.3528	NA	PeJP	NA	NA
+PJ060721	GSTQMYW 	C39H53N9O12S	871.3535	NA	PeJP	NA	NA
+PJ060722	TCCKMMR 	C32H61N11O9S4	871.3537	NA	PeJP	NA	NA
+PJ060723	GSSSDKEY 	C35H53N9O17	871.356	NA	PeJP	NA	NA
+PJ060724	GNKEMMY 	C36H57N9O12S2	871.3568	NA	PeJP	NA	NA
+PJ060725	GGGKEMMY 	C36H57N9O12S2	871.3569	NA	PeJP	NA	NA
+PJ060726	GSDDHRW 	C36H49N13O13	871.3573	NA	PeJP	NA	NA
+PJ060727	GGGGGGGGGGPW 	C36H49N13O13	871.3574	NA	PeJP	NA	NA
+PJ060728	PEMFYW 	C44H53N7O10S	871.3575	NA	PeJP	NA	NA
+PJ060729	APCCHRW 	C37H53N13O8S2	871.3582	NA	PeJP	NA	NA
+PJ060730	SSSSSSSLM 	C32H57N9O17S	871.3593	NA	PeJP	NA	NA
+PJ060731	APTEEYY 	C40H53N7O15	871.36	NA	PeJP	NA	NA
+PJ060732	GSSTKMMM 	C33H61N9O12S3	871.3602	NA	PeJP	NA	NA
+PJ060733	GNEEMHR 	C33H53N13O13S	871.3607	NA	PeJP	NA	NA
+PJ060734	LEMMYW 	C41H57N7O10S2	871.3609	NA	PeJP	NA	NA
+PJ060735	SQEHWW 	C41H49N11O11	871.3613	NA	PeJP	NA	NA
+PJ060736	GGGPDHFW 	C41H49N11O11	871.3614	NA	PeJP	NA	NA
+PJ060737	GCCMFRR 	C34H57N13O8S3	871.3616	NA	PeJP	NA	NA
+PJ060738	STLEEMY 	C37H57N7O15S	871.3634	NA	PeJP	NA	NA
+PJ060739	SPLMMMY 	C38H61N7O10S3	871.3642	NA	PeJP	NA	NA
+PJ060740	GSTCRYW 	C38H53N11O11S	871.3647	NA	PeJP	NA	NA
+PJ060741	GNFYWW 	C46H49N9O9	871.3654	NA	PeJP	NA	NA
+PJ060742	GSSSSERY 	C34H53N11O16	871.3672	NA	PeJP	NA	NA
+PJ060743	GSQMMRY 	C35H57N11O11S2	871.3681	NA	PeJP	NA	NA
+PJ060744	GQQEHHH 	C35H49N15O12	871.3686	NA	PeJP	NA	NA
+PJ060745	SCKYWW 	C43H53N9O9S	871.3687	NA	PeJP	NA	NA
+PJ060746	SSSDKYW 	C39H53N9O14	871.3712	NA	PeJP	NA	NA
+PJ060747	GGGPPPDEF 	C39H53N9O14	871.3713	NA	PeJP	NA	NA
+PJ060748	GCDEHRR 	C32H53N15O12S	871.3719	NA	PeJP	NA	NA
+PJ060749	NKMMYW 	C40H57N9O9S2	871.3721	NA	PeJP	NA	NA
+PJ060750	GNNHHFF 	C40H49N13O10	871.3726	NA	PeJP	NA	NA
+PJ060751	SSQKEMY 	C36H57N9O14S	871.3746	NA	PeJP	NA	NA
+PJ060752	VEEFYW 	C44H53N7O12	871.3753	NA	PeJP	NA	NA
+PJ060753	PCCKKMY 	C37H61N9O9S3	871.3755	NA	PeJP	NA	NA
+PJ060754	NEMHRW 	C37H53N13O10S	871.3759	NA	PeJP	NA	NA
+PJ060755	GGEMHRW 	C37H53N13O10S	871.376	NA	PeJP	NA	NA
+PJ060756	GTHWWW 	C45H49N11O8	871.3766	NA	PeJP	NA	NA
+PJ060757	SSSSTTTTT 	C32H57N9O19	871.3771	NA	PeJP	NA	NA
+PJ060758	SSSTTKMM 	C33H61N9O14S2	871.378	NA	PeJP	NA	NA
+PJ060759	SSQEEHR 	C33H53N13O15	871.3784	NA	PeJP	NA	NA
+PJ060760	GGSTEEHR 	C33H53N13O15	871.3785	NA	PeJP	NA	NA
+PJ060761	GPLEMYY 	C41H57N7O12S	871.3786	NA	PeJP	NA	NA
+PJ060762	TCKKMMM 	C34H65N9O9S4	871.3788	NA	PeJP	NA	NA
+PJ060763	GSCMRRY 	C34H57N13O10S2	871.3793	NA	PeJP	NA	NA
+PJ060764	GNDHHHR 	C34H49N17O11	871.3798	NA	PeJP	NA	NA
+PJ060765	VNMHWW 	C42H53N11O8S	871.38	NA	PeJP	NA	NA
+PJ060766	SVLEMMY 	C38H61N7O12S2	871.382	NA	PeJP	NA	NA
+PJ060767	SSSSRYW 	C38H53N11O13	871.3825	NA	PeJP	NA	NA
+PJ060768	APCKMHW 	C39H57N11O8S2	871.3833	NA	PeJP	NA	NA
+PJ060769	QQHHHW 	C39H49N15O9	871.3838	NA	PeJP	NA	NA
+PJ060770	SSTQMRY 	C35H57N11O13S	871.3858	NA	PeJP	NA	NA
+PJ060771	GGPPEEMR 	C35H57N11O13S	871.3859	NA	PeJP	NA	NA
+PJ060772	GPPTEWW 	C43H53N9O11	871.3865	NA	PeJP	NA	NA
+PJ060773	GCKMMFR 	C36H61N11O8S3	871.3867	NA	PeJP	NA	NA
+PJ060774	CDHRRW 	C36H53N15O9S	871.3872	NA	PeJP	NA	NA
+PJ060775	SSDDHRR 	C32H53N15O14	871.3897	NA	PeJP	NA	NA
+PJ060776	GSTKMYW 	C40H57N9O11S	871.3899	NA	PeJP	NA	NA
+PJ060777	PPFYYW 	C48H53N7O9	871.3905	NA	PeJP	NA	NA
+PJ060778	PTCCHRR 	C33H57N15O9S2	871.3906	NA	PeJP	NA	NA
+PJ060779	GMHRWW 	C41H53N13O7S	871.3912	NA	PeJP	NA	NA
+PJ060780	ASSSTKEY 	C36H57N9O16	871.3923	NA	PeJP	NA	NA
+PJ060781	GSSTTKEY 	C36H57N9O16	871.3924	NA	PeJP	NA	NA
+PJ060782	GDKKMMY 	C37H61N9O11S2	871.3932	NA	PeJP	NA	NA
+PJ060783	GSTEHRW 	C37H53N13O12	871.3937	NA	PeJP	NA	NA
+PJ060784	PLMYYW 	C45H57N7O9S	871.3939	NA	PeJP	NA	NA
+PJ060785	APHHHHH 	C38H49N17O8	871.395	NA	PeJP	NA	NA
+PJ060786	GVLEEYY 	C41H57N7O14	871.3964	NA	PeJP	NA	NA
+PJ060787	SSTCRRY 	C34H57N13O12S	871.3971	NA	PeJP	NA	NA
+PJ060788	APLMMFY 	C42H61N7O9S2	871.3973	NA	PeJP	NA	NA
+PJ060789	SKEHWW 	C42H53N11O10	871.3977	NA	PeJP	NA	NA
+PJ060790	ALLMMMY 	C39H65N7O9S3	871.4006	NA	PeJP	NA	NA
+PJ060791	GPPEMRW 	C39H57N11O10S	871.4011	NA	PeJP	NA	NA
+PJ060792	PPTWWW 	C47H53N9O8	871.4017	NA	PeJP	NA	NA
+PJ060793	GAHFFFF 	C47H53N9O8	871.4018	NA	PeJP	NA	NA
+PJ060794	GSSTTTRY 	C35H57N11O15	871.4036	NA	PeJP	NA	NA
+PJ060795	GSKMMRY 	C36H61N11O10S2	871.4045	NA	PeJP	NA	NA
+PJ060796	GNNQHFR 	C36H53N15O11	871.4049	NA	PeJP	NA	NA
+PJ060797	GGGGGQHFR 	C36H53N15O11	871.405	NA	PeJP	NA	NA
+PJ060798	GPPVMWW 	C44H57N9O8S	871.4051	NA	PeJP	NA	NA
+PJ060799	SSTTKYW 	C40H57N9O13	871.4076	NA	PeJP	NA	NA
+PJ060800	GSEMHRR 	C33H57N15O11S	871.4083	NA	PeJP	NA	NA
+PJ060801	PCCKKFF 	C41H61N9O8S2	871.4085	NA	PeJP	NA	NA
+PJ060802	STHRWW 	C41H53N13O9	871.409	NA	PeJP	NA	NA
+PJ060803	SSKKEMY 	C37H61N9O13S	871.411	NA	PeJP	NA	NA
+PJ060804	VLEYYW 	C45H57N7O11	871.4116	NA	PeJP	NA	NA
+PJ060805	GKKMMMF 	C38H65N9O8S3	871.4119	NA	PeJP	NA	NA
+PJ060806	DKMHRW 	C38H57N13O9S	871.4123	NA	PeJP	NA	NA
+PJ060807	VHHFFW 	C46H53N11O7	871.413	NA	PeJP	NA	NA
+PJ060808	GPEEERR 	C34H57N13O14	871.4148	NA	PeJP	NA	NA
+PJ060809	GGGGPDKER 	C34H57N13O14	871.4149	NA	PeJP	NA	NA
+PJ060810	SPVLMYY 	C42H61N7O11S	871.415	NA	PeJP	NA	NA
+PJ060811	GLQMMHR 	C35H61N13O9S2	871.4157	NA	PeJP	NA	NA
+PJ060812	GTQHHHR 	C35H53N17O10	871.4162	NA	PeJP	NA	NA
+PJ060813	PPMRWW 	C43H57N11O7S	871.4164	NA	PeJP	NA	NA
+PJ060814	TTLLMMY 	C39H65N7O11S2	871.4184	NA	PeJP	NA	NA
+PJ060815	SPPTERW 	C39H57N11O12	871.4188	NA	PeJP	NA	NA
+PJ060816	GPVEERW 	C39H57N11O12	871.4189	NA	PeJP	NA	NA
+PJ060817	QKHHHW 	C40H53N15O8	871.4202	NA	PeJP	NA	NA
+PJ060818	SSTKMRY 	C36H61N11O12S	871.4222	NA	PeJP	NA	NA
+PJ060819	GGGGGGGPLLM 	C36H61N11O12S	871.4223	NA	PeJP	NA	NA
+PJ060820	AAPLEWW 	C44H57N9O10	871.4229	NA	PeJP	NA	NA
+PJ060821	SMHRRW 	C37H57N15O8S	871.4236	NA	PeJP	NA	NA
+MJ096636	Grahamine 	C48H61N3O12	871.425524	NA	MeJP	NA	NA
+PJ060822	SSTEHRR 	C33H57N15O13	871.4261	NA	PeJP	NA	NA
+PJ060823	PPTLQMW 	C41H61N9O10S	871.4262	NA	PeJP	NA	NA
+PJ060824	PPVDKMW 	C41H61N9O10S	871.4263	NA	PeJP	NA	NA
+PJ060825	PLFFYW 	C49H57N7O8	871.4269	NA	PeJP	NA	NA
+PJ060826	SSSSTLKY 	C37H61N9O15	871.4287	NA	PeJP	NA	NA
+PJ060827	PLQKEEE 	C37H61N9O15	871.4288	NA	PeJP	NA	NA
+PJ060828	ATKKMMY 	C38H65N9O10S2	871.4296	NA	PeJP	NA	NA
+PJ060829	PEERRW 	C38H57N13O11	871.4301	NA	PeJP	NA	NA
+PJ060830	LLMFYW 	C46H61N7O8S	871.4303	NA	PeJP	NA	NA
+PJ060831	ATLLEYY 	C42H61N7O13	871.4328	NA	PeJP	NA	NA
+PJ060832	STLQMHR 	C35H61N13O11S	871.4334	NA	PeJP	NA	NA
+PJ060833	SPPEMRR 	C35H61N13O11S	871.4335	NA	PeJP	NA	NA
+PJ060834	ALLMMFF 	C43H65N7O8S2	871.4336	NA	PeJP	NA	NA
+PJ060835	PVERWW 	C43H57N11O9	871.4341	NA	PeJP	NA	NA
+PJ060836	GNNQQRR 	C32H57N17O12	871.4373	NA	PeJP	NA	NA
+PJ060837	SPPVMRW 	C40H61N11O9S	871.4375	NA	PeJP	NA	NA
+PJ060838	PVVWWW 	C48H57N9O7	871.4381	NA	PeJP	NA	NA
+PJ060839	PVDKEER 	C36H61N11O14	871.44	NA	PeJP	NA	NA
+PJ060840	PPLQMMR 	C37H65N11O9S2	871.4409	NA	PeJP	NA	NA
+PJ060841	GSPNRRW 	C37H57N15O10	871.4413	NA	PeJP	NA	NA
+PJ060842	APLKEEW 	C41H61N9O12	871.444	NA	PeJP	NA	NA
+PJ060843	ATTMHRR 	C34H61N15O10S	871.4447	NA	PeJP	NA	NA
+PJ060844	VQHFRW 	C42H57N13O8	871.4453	NA	PeJP	NA	NA
+PJ060845	GGLHFRW 	C42H57N13O8	871.4454	NA	PeJP	NA	NA
+PJ060846	TTTKKMY 	C38H65N9O12S	871.4474	NA	PeJP	NA	NA
+PJ060847	GPLLFYY 	C46H61N7O10	871.448	NA	PeJP	NA	NA
+PJ060848	CKFRRY 	C39H61N13O8S	871.4487	NA	PeJP	NA	NA
+PJ060849	SPVEERR 	C35H61N13O13	871.4512	NA	PeJP	NA	NA
+PJ060850	GGGGGGGGGVLK 	C35H61N13O13	871.4513	NA	PeJP	NA	NA
+PJ060851	GLLLMYY 	C43H65N7O10S	871.4514	NA	PeJP	NA	NA
+PJ060852	PPCLMRR 	C36H65N13O8S2	871.4521	NA	PeJP	NA	NA
+PJ060853	GTKHHHR 	C36H57N17O9	871.4526	NA	PeJP	NA	NA
+PJ060854	APTLERW 	C40H61N11O11	871.4552	NA	PeJP	NA	NA
+PJ060855	GGAPKKEW 	C40H61N11O11	871.4553	NA	PeJP	NA	NA
+PJ060856	GPCQRRR 	C33H61N17O9S	871.4559	NA	PeJP	NA	NA
+PJ060857	AHFRRW 	C41H57N15O7	871.4566	NA	PeJP	NA	NA
+PJ060858	PVLQEMR 	C37H65N11O11S	871.4586	NA	PeJP	NA	NA
+PJ060859	GPTLLWW 	C45H61N9O9	871.4593	NA	PeJP	NA	NA
+2887	NA	EVQKQLQ	871.462	antibacterial	Inhouse_peptide	NA	peptide
+PJ060860	TTTTHRR 	C34H61N15O12	871.4624	NA	PeJP	NA	NA
+PJ060861	GVQQERR 	C34H61N15O12	871.4625	NA	PeJP	NA	NA
+PJ060862	PPTLKMW 	C42H65N9O9S	871.4626	NA	PeJP	NA	NA
+PJ060863	LLFFFW 	C50H61N7O7	871.4633	NA	PeJP	NA	NA
+PJ060864	PLKKEEE 	C38H65N9O14	871.4651	NA	PeJP	NA	NA
+PJ060865	GGAALLLEE 	C38H65N9O14	871.4652	NA	PeJP	NA	NA
+PJ060866	GPPVLKMM 	C39H69N9O9S2	871.466	NA	PeJP	NA	NA
+PJ060867	GPTQKRW 	C39H61N13O10	871.4665	NA	PeJP	NA	NA
+PJ060868	STLLLYY 	C43H65N7O12	871.4691	NA	PeJP	NA	NA
+PJ060869	APLEMRR 	C36H65N13O10S	871.4698	NA	PeJP	NA	NA
+PJ060870	PVVDMRR 	C36H65N13O10S	871.4699	NA	PeJP	NA	NA
+PJ060871	PQKKWW 	C44H61N11O8	871.4705	NA	PeJP	NA	NA
+PJ060872	QQERRR 	C33H61N17O11	871.4737	NA	PeJP	NA	NA
+PJ060873	GPLLMRW 	C41H65N11O8S	871.4739	NA	PeJP	NA	NA
+PJ060874	PTLKEER 	C37H65N11O13	871.4764	NA	PeJP	NA	NA
+PJ060875	PPLKMMR 	C38H69N11O8S2	871.4772	NA	PeJP	NA	NA
+PJ060876	VQQRRW 	C38H61N15O9	871.4777	NA	PeJP	NA	NA
+PJ060877	SPLLKEW 	C42H65N9O11	871.4804	NA	PeJP	NA	NA
+PJ060878	GPQKMRR 	C35H65N15O9S	871.4811	NA	PeJP	NA	NA
+PJ060879	VKHFRW 	C43H61N13O7	871.4817	NA	PeJP	NA	NA
+PJ060880	AAPLLKEM 	C39H69N9O11S	871.4838	NA	PeJP	NA	NA
+PJ060881	GLLLFFY 	C47H65N7O9	871.4844	NA	PeJP	NA	NA
+PJ060882	NDRRRR 	C32H61N19O10	871.4849	NA	PeJP	NA	NA
+PJ060883	GLLEERR 	C36H65N13O12	871.4876	NA	PeJP	NA	NA
+PJ060884	AQRRRW 	C37H61N17O8	871.4889	NA	PeJP	NA	NA
+PJ060885	GAARRRW 	C37H61N17O8	871.489	NA	PeJP	NA	NA
+PJ060886	GVLLERW 	C41H65N11O10	871.4916	NA	PeJP	NA	NA
+PJ060887	GPCKRRR 	C34H65N17O8S	871.4923	NA	PeJP	NA	NA
+MJ096637	Spirosolan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C44H73NO16	871.492935	NA	MeJP	NA	NA
+MJ096638	Spirosolan-3-ol, Glycoside(1) 	C44H73NO16	871.492935	NA	MeJP	NA	NA
+PJ060888	PVLKEMR 	C38H69N11O10S	871.495	NA	PeJP	NA	NA
+PJ060889	AALLLWW 	C46H65N9O8	871.4957	NA	PeJP	NA	NA
+PJ060890	GVQKERR 	C35H65N15O11	871.4988	NA	PeJP	NA	NA
+PJ060891	GGGLKERR 	C35H65N15O11	871.4989	NA	PeJP	NA	NA
+PJ060892	PVVLKMW 	C43H69N9O8S	871.499	NA	PeJP	NA	NA
+PJ060893	LLLQKEE 	C39H69N9O13	871.5015	NA	PeJP	NA	NA
+PJ060894	LLERRW 	C40H65N13O9	871.5029	NA	PeJP	NA	NA
+PJ060895	SPLLMRR 	C37H69N13O9S	871.5062	NA	PeJP	NA	NA
+PJ060896	VLLRWW 	C45H65N11O7	871.5069	NA	PeJP	NA	NA
+PJ060897	QKERRR 	C34H65N17O10	871.5101	NA	PeJP	NA	NA
+PJ060898	TLLLQER 	C38H69N11O12	871.5127	NA	PeJP	NA	NA
+PJ060899	VVLKEER 	C38H69N11O12	871.5128	NA	PeJP	NA	NA
+PJ060900	VQKRRW 	C39H65N15O8	871.5141	NA	PeJP	NA	NA
+PJ060901	ALLLKEW 	C43H69N9O10	871.5168	NA	PeJP	NA	NA
+PJ060902	GPKKMRR 	C36H69N15O8S	871.5175	NA	PeJP	NA	NA
+PJ060903	GPTLLLKM 	C40H73N9O10S	871.5202	NA	PeJP	NA	NA
+PJ060904	TQRRRR 	C33H65N19O9	871.5213	NA	PeJP	NA	NA
+PJ060905	SVLLERR 	C37H69N13O11	871.524	NA	PeJP	NA	NA
+PJ060906	AKRRRW 	C38H65N17O7	871.5253	NA	PeJP	NA	NA
+PJ060907	ATLLLRW 	C42H69N11O9	871.528	NA	PeJP	NA	NA
+PJ060908	VLLLQMR 	C39H73N11O9S	871.5314	NA	PeJP	NA	NA
+PJ060909	GVKKERR 	C36H69N15O10	871.5352	NA	PeJP	NA	NA
+PJ060910	LLLKKEE 	C40H73N9O12	871.5379	NA	PeJP	NA	NA
+PJ060911	AALKKRW 	C41H69N13O8	871.5393	NA	PeJP	NA	NA
+PJ060912	ALLLMRR 	C38H73N13O8S	871.5426	NA	PeJP	NA	NA
+PJ060913	KKERRR 	C35H69N17O9	871.5465	NA	PeJP	NA	NA
+PJ060914	TLLLKER 	C39H73N11O11	871.5491	NA	PeJP	NA	NA
+PJ060915	GGLLKKKE 	C39H73N11O11	871.5492	NA	PeJP	NA	NA
+PJ060916	VKKRRW 	C40H69N15O7	871.5505	NA	PeJP	NA	NA
+PJ060917	SLLLLKW 	C44H73N9O9	871.5532	NA	PeJP	NA	NA
+PJ060918	AALLLLKM 	C41H77N9O9S	871.5565	NA	PeJP	NA	NA
+PJ060919	TKRRRR 	C34H69N19O8	871.5577	NA	PeJP	NA	NA
+PJ060920	TTLLLRR 	C38H73N13O10	871.5604	NA	PeJP	NA	NA
+PJ060921	GLLKKKW 	C43H73N11O8	871.5644	NA	PeJP	NA	NA
+PJ060922	VLLLKMR 	C40H77N11O8S	871.5678	NA	PeJP	NA	NA
+PJ060923	ATLKKRR 	C37H73N15O9	871.5716	NA	PeJP	NA	NA
+PJ060924	ATTLLLLK 	C41H77N9O11	871.5743	NA	PeJP	NA	NA
+PJ060925	VLKKKKE 	C40H77N11O10	871.5855	NA	PeJP	NA	NA
+PJ060926	SLLKKKR 	C39H77N13O9	871.5968	NA	PeJP	NA	NA
+PJ060927	GKKKKKR 	C38H77N15O8	871.608	NA	PeJP	NA	NA
+EUR993	PC 38:3 [M-H+acetate]-	C46H86NO8P	871.630207	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR993	PC 38:3 [M-H+acetate]-	C46H86NO8P	871.630207	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR993	PC 38:3 [M-H+acetate]-	C46H86NO8P	871.630207	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR993	PC 38:3 [M-H+acetate]-	C46H86NO8P	871.630207	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1128	SM(d18:1/24:2) [M-H+acetate]-	C47H92N2O6P	871.690401	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1128	SM(d18:1/24:2) [M-H+acetate]-	C47H92N2O6P	871.690401	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1128	SM(d18:1/24:2) [M-H+acetate]-	C47H92N2O6P	871.690401	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1128	SM(d18:1/24:2) [M-H+acetate]-	C47H92N2O6P	871.690401	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08059	PC(18:0/24:1(15Z))	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08091	PC(18:1(11Z)/24:0)	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08124	PC(18:1(9Z)/24:0)	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08283	PC(20:0/22:1(13Z))	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08315	PC(20:1(11Z)/22:0)	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08538	PC(22:0/20:1(11Z))	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08569	PC(22:1(13Z)/20:0)	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08761	PC(24:0/18:1(11Z))	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08762	PC(24:0/18:1(9Z))	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+HMDB08793	PC(24:1(15Z)/18:0)	C50H98NO8P	871.703003	NA	HMDB2010	NA	NA
+MJ096639	Azovan blue 	C34H28N6O14S4	872.054632	NA	MeJP	NA	NA
+MJ096640	5,7-Dihydroxyflavanone, 7-O-[4,6-[(S)-4,4',5,5',6,6'-Hexahydroxydiphenoyl]-3-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C42H32O21	872.143608	NA	MeJP	NA	NA
+PJ060928	SCCCCCDH 	C28H44N10O12S5	872.1744	NA	PeJP	NA	NA
+PJ060929	PCCCCDDD 	C29H44N8O15S4	872.1809	NA	PeJP	NA	NA
+PJ060930	ACCCCCMH 	C29H48N10O9S6	872.193	NA	PeJP	NA	NA
+MJ096641	Arachnitannin 1; 3'''-Hydroxy 	C47H36O17	872.195249	NA	MeJP	NA	NA
+PJ060931	GCCDDDDM 	C29H44N8O17S3	872.1987	NA	PeJP	NA	NA
+FL5FAAGS0120	Kaempferol 3-(2''-feruloylglucosyl)-(1->2)-(6''-malonylglucoside)	C40H40O22	872.20112	219745-02-5	knapsack	NA	NA
+MJ096642	Astragalin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl], 6''-O-malonyl 	C40H40O22	872.201122	NA	MeJP	NA	NA
+MJ096643	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C40H41O22(+)	872.201122	NA	MeJP	NA	NA
+MJ096644	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C40H41O22(+)	872.201122	NA	MeJP	NA	NA
+PJ060932	SCCCNNDD 	C28H44N10O16S3	872.2099	NA	PeJP	NA	NA
+PJ060933	SSCCCCMH 	C29H48N10O11S5	872.2108	NA	PeJP	NA	NA
+PJ060934	CCCDDEW 	C33H44N8O14S3	872.214	NA	PeJP	NA	NA
+PJ060935	SSCCDDDE 	C29H44N8O19S2	872.2164	NA	PeJP	NA	NA
+PJ060936	SPCCCDDM 	C30H48N8O14S4	872.2173	NA	PeJP	NA	NA
+FL5FAAGL0109	Kaempferol 3-(6'''-rhamnosyl-2'''-(6-malyl-glucosyl)-glucoside)	C37H44O24	872.22225	592522-42-4	knapsack	NA	NA
+FL5FAAGS0129	Kaempferol 3-neohesperidoside-7-(6''-malonylglucoside)	C37H44O24	872.22225	-	knapsack	NA	NA
+PJ060937	GCCCNNEM 	C29H48N10O13S4	872.2286	NA	PeJP	NA	NA
+PJ060938	GSCDDDMM 	C30H48N8O16S3	872.2351	NA	PeJP	NA	NA
+PJ060939	PCCCCCLE 	C31H52N8O11S5	872.2359	NA	PeJP	NA	NA
+PJ060940	GPCCCEMM 	C31H52N8O11S5	872.236	NA	PeJP	NA	NA
+MJ096645	Trichotomine; N,N'-Diglucosyl 	C42H40N4O17	872.238845	NA	MeJP	NA	NA
+PJ060941	GCCCCNDR 	C28H48N12O12S4	872.2398	NA	PeJP	NA	NA
+PJ060942	CCCNNMW 	C33H48N10O10S4	872.2438	NA	PeJP	NA	NA
+PJ060943	SSCCNNDM 	C29H48N10O15S3	872.2463	NA	PeJP	NA	NA
+PJ060944	PCCCCCNK 	C30H52N10O10S5	872.2472	NA	PeJP	NA	NA
+PJ060945	CNDDDEY 	C33H44N8O18S	872.2495	NA	PeJP	NA	NA
+PJ060946	SCCDEMW 	C34H48N8O13S3	872.2503	NA	PeJP	NA	NA
+PJ060947	PCCCMMW 	C35H52N8O8S5	872.2512	NA	PeJP	NA	NA
+MJ096646	3,4',5,7-Tetrahydroxyflavan(4?8)-3,4',5,7-tetrahydroxyflavan, 3'-(4-Hydroxy-3,5-dimethoxybenzoyl), 3-O-?-L-rhamnopyranoside 	C45H44O18	872.252764	NA	MeJP	NA	NA
+PJ060948	SSSCDDEM 	C30H48N8O18S2	872.2528	NA	PeJP	NA	NA
+PJ060949	CNDEMMM 	C31H52N8O13S4	872.2537	NA	PeJP	NA	NA
+PJ060950	GSCCDDHH 	C31H44N12O14S2	872.2542	NA	PeJP	NA	NA
+PJ060951	APCCCCHH 	C32H48N12O9S4	872.2551	NA	PeJP	NA	NA
+FL5FAAGS0097	Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-4H-1-benzopyran-4-one	C38H48O23	872.25863	463961-82-2	knapsack	NA	NA
+FL5FCAGS0012	Kaempferol 7-methyl ether 3-apiosyl-(1->5)-apiosyl-(1->2)-[rhamnosyl-(1->6)-glucoside];3-[(O-D-Apio-beta-D-furanosyl-(1->5)-O-D-apio-beta-D-furanosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C38H48O23	872.25863	433979-38-5	knapsack	NA	NA
+PJ060952	GPCDDDDH 	C32H44N10O17S	872.2607	NA	PeJP	NA	NA
+PJ060953	GSSCCCQW 	C33H48N10O12S3	872.2616	NA	PeJP	NA	NA
+PJ060954	GSSSSCCNE 	C29H48N10O17S2	872.2641	NA	PeJP	NA	NA
+PJ060955	GCDDDYW 	C37H44N8O15S	872.2647	NA	PeJP	NA	NA
+PJ060956	CCDDMMR 	C30H52N10O12S4	872.2649	NA	PeJP	NA	NA
+PJ060957	GGGGGTCCMM 	C30H52N10O12S4	872.265	NA	PeJP	NA	NA
+PJ060958	PCCCDFW 	C38H48N8O10S3	872.2656	NA	PeJP	NA	NA
+PJ060959	GSSDDDDY 	C33H44N8O20	872.2672	NA	PeJP	NA	NA
+PJ060960	GSPCCDEY 	C34H48N8O15S2	872.2681	NA	PeJP	NA	NA
+PJ060961	GCDMMMW 	C35H52N8O10S4	872.269	NA	PeJP	NA	NA
+PJ060962	GSSDDMMM 	C31H52N8O15S3	872.2715	NA	PeJP	NA	NA
+PJ060963	GPTCCMMM 	C32H56N8O10S5	872.2723	NA	PeJP	NA	NA
+PJ060964	CCNEMHH 	C32H48N12O11S3	872.2728	NA	PeJP	NA	NA
+MJ096647	Sucrose; 4,6-Di-O-benzoyl, 3'-O-[?-L-rhamnopyranosyl-(?4)-4-hydroxy-3-methoxycinnamoyl] 	C42H48O20	872.273893	NA	MeJP	NA	NA
+PJ060965	GSCCCNMR 	C29H52N12O11S4	872.2762	NA	PeJP	NA	NA
+PJ060966	CCCNHFF 	C37H48N10O9S3	872.2768	NA	PeJP	NA	NA
+PJ060967	NDDDEEH 	C32H44N10O19	872.2785	NA	PeJP	NA	NA
+PJ060968	SSSSCCNW 	C33H48N10O14S2	872.2793	NA	PeJP	NA	NA
+PJ060969	CCCCQKW 	C34H52N10O9S4	872.2802	NA	PeJP	NA	NA
+PJ060970	SSSSSSCND 	C29H48N10O19S	872.2818	NA	PeJP	NA	NA
+PJ060971	SSSCNNMM 	C30H52N10O14S3	872.2827	NA	PeJP	NA	NA
+PJ060972	SPCCDYW 	C38H48N8O12S2	872.2833	NA	PeJP	NA	NA
+PJ060973	GCDDMFW 	C38H48N8O12S2	872.2834	NA	PeJP	NA	NA
+PJ060974	CCCDHHR 	C31H48N14O10S3	872.284	NA	PeJP	NA	NA
+PJ060975	SNDDEMY 	C34H48N8O17S	872.2858	NA	PeJP	NA	NA
+PJ060976	GGSDDEMY 	C34H48N8O17S	872.2859	NA	PeJP	NA	NA
+PJ060977	SSCEMMW 	C35H52N8O12S3	872.2867	NA	PeJP	NA	NA
+PJ060978	GCCMHHW 	C36H48N12O8S3	872.2881	NA	PeJP	NA	NA
+PJ060979	SSSSDEMM 	C31H52N8O17S2	872.2892	NA	PeJP	NA	NA
+PJ060980	GSNNDDDH 	C31H44N12O18	872.2897	NA	PeJP	NA	NA
+PJ060981	SNEMMMM 	C32H56N8O12S4	872.2901	NA	PeJP	NA	NA
+PJ060982	GSSCDMHH 	C32H48N12O13S2	872.2906	NA	PeJP	NA	NA
+PJ060983	CMMYYY 	C40H52N6O10S3	872.2907	NA	PeJP	NA	NA
+PJ060984	GDDDEHW 	C36H44N10O16	872.2937	NA	PeJP	NA	NA
+PJ060985	SSSCCCQR 	C29H52N12O13S3	872.2939	NA	PeJP	NA	NA
+PJ060986	GCCNQYW 	C37H48N10O11S2	872.2946	NA	PeJP	NA	NA
+MJ096648	Longifloroside 	C39H52O22	872.295023	NA	MeJP	NA	NA
+PJ060987	SCDDDRY 	C33H48N10O16S	872.2971	NA	PeJP	NA	NA
+PJ060988	CNNNMMF 	C34H52N10O11S3	872.2979	NA	PeJP	NA	NA
+PJ060989	GSSCCCKW 	C34H52N10O11S3	872.298	NA	PeJP	NA	NA
+PJ060990	CCEFWW 	C42H48N8O9S2	872.2986	NA	PeJP	NA	NA
+PJ060991	GSSSSSCQM 	C30H52N10O16S2	872.3004	NA	PeJP	NA	NA
+PJ060992	GGGSSSSTCM 	C30H52N10O16S2	872.3005	NA	PeJP	NA	NA
+PJ060993	GSDDMYW 	C38H48N8O14S	872.3011	NA	PeJP	NA	NA
+PJ060994	SCDMMMR 	C31H56N10O11S4	872.3013	NA	PeJP	NA	NA
+PJ060995	APCCMYW 	C39H52N8O9S3	872.302	NA	PeJP	NA	NA
+PJ060996	GSSSDEEY 	C34H48N8O19	872.3036	NA	PeJP	NA	NA
+PJ060997	GNEEMMY 	C35H52N8O14S2	872.3045	NA	PeJP	NA	NA
+PJ060998	CDFYYY 	C43H48N6O12S	872.3051	NA	PeJP	NA	NA
+PJ060999	GSMMMMW 	C36H56N8O9S4	872.3053	NA	PeJP	NA	NA
+PJ061000	GGPCMMMF 	C36H56N8O9S4	872.3054	NA	PeJP	NA	NA
+PJ061001	STCCHHW 	C36H48N12O10S2	872.3058	NA	PeJP	NA	NA
+PJ061002	GSSTEMMM 	C32H56N8O14S3	872.3078	NA	PeJP	NA	NA
+PJ061003	SSSSCEHH 	C32H48N12O15S	872.3083	NA	PeJP	NA	NA
+PJ061004	AQMMMMM 	C33H60N8O9S5	872.3087	NA	PeJP	NA	NA
+PJ061005	DDDHWW 	C40H44N10O13	872.309	NA	PeJP	NA	NA
+PJ061006	CCCNQFR 	C33H52N12O10S3	872.3092	NA	PeJP	NA	NA
+PJ061007	GSSSSSCCR 	C29H52N12O15S2	872.3117	NA	PeJP	NA	NA
+PJ061008	SSCNNYW 	C37H48N10O13S	872.3123	NA	PeJP	NA	NA
+PJ061009	GGGGCNDFF 	C37H48N10O13S	872.3124	NA	PeJP	NA	NA
+PJ061010	GTCCCCKR 	C30H56N12O10S4	872.3126	NA	PeJP	NA	NA
+PJ061011	PPCCMHW 	C38H52N10O8S3	872.3132	NA	PeJP	NA	NA
+PJ061012	SSSSNNDY 	C33H48N10O18	872.3148	NA	PeJP	NA	NA
+PJ061013	GGSEEEEH 	C33H48N10O18	872.3149	NA	PeJP	NA	NA
+PJ061014	GCDEMRY 	C34H52N10O13S2	872.3157	NA	PeJP	NA	NA
+PJ061015	SCEYWW 	C42H48N8O11S	872.3164	NA	PeJP	NA	NA
+PJ061016	CCCCKKW 	C35H56N10O8S4	872.3166	NA	PeJP	NA	NA
+PJ061017	SSSSSSSNM 	C30H52N10O18S	872.3182	NA	PeJP	NA	NA
+PJ061018	SSSDEYW 	C38H48N8O16	872.3188	NA	PeJP	NA	NA
+PJ061019	PPDDDEW 	C38H48N8O16	872.3189	NA	PeJP	NA	NA
+PJ061020	SSSCCQKM 	C31H56N10O13S3	872.3191	NA	PeJP	NA	NA
+PJ061021	GSCNNNQH 	C31H48N14O14S	872.3195	NA	PeJP	NA	NA
+PJ061022	CNNDDHR 	C31H48N14O14S	872.3196	NA	PeJP	NA	NA
+PJ061023	NEMMYW 	C39H52N8O11S2	872.3197	NA	PeJP	NA	NA
+PJ061024	VCCMMMR 	C32H60N10O8S5	872.3199	NA	PeJP	NA	NA
+PJ061025	ACMMMMR 	C32H60N10O8S5	872.32	NA	PeJP	NA	NA
+PJ061026	SCCMHHR 	C32H52N14O9S3	872.3204	NA	PeJP	NA	NA
+PJ061027	SSQEEMY 	C35H52N8O16S	872.3222	NA	PeJP	NA	NA
+PJ061028	SDYYYY 	C43H48N6O14	872.3229	NA	PeJP	NA	NA
+PJ061029	SSTMMMW 	C36H56N8O11S3	872.3231	NA	PeJP	NA	NA
+PJ061030	GNNDMHW 	C36H48N12O12S	872.3236	NA	PeJP	NA	NA
+PJ061031	CMFFYY 	C44H52N6O9S2	872.3237	NA	PeJP	NA	NA
+PJ061032	SSSTTEMM 	C32H56N8O16S2	872.3256	NA	PeJP	NA	NA
+PJ061033	SDDDEHR 	C32H48N12O17	872.3261	NA	PeJP	NA	NA
+PJ061034	SDKMMMM 	C33H60N8O11S4	872.3265	NA	PeJP	NA	NA
+PJ061035	SCCNQRY 	C33H52N12O12S2	872.3269	NA	PeJP	NA	NA
+PJ061036	GGGGTCCRY 	C33H52N12O12S2	872.327	NA	PeJP	NA	NA
+PJ061037	GSEEEHW 	C37H48N10O15	872.3301	NA	PeJP	NA	NA
+PJ061038	SSSCCCKR 	C30H56N12O12S3	872.3303	NA	PeJP	NA	NA
+PJ061039	CDMRYW 	C38H52N10O10S2	872.331	NA	PeJP	NA	NA
+PJ061040	SSDDMRY 	C34H52N10O15S	872.3335	NA	PeJP	NA	NA
+PJ061041	NDEFYW 	C42H48N8O13	872.3341	NA	PeJP	NA	NA
+PJ061042	PTCCMRY 	C35H56N10O10S3	872.3343	NA	PeJP	NA	NA
+PJ061043	GGGACCKMF 	C35H56N10O10S3	872.3344	NA	PeJP	NA	NA
+PJ061044	PCNEHHH 	C35H48N14O11S	872.3348	NA	PeJP	NA	NA
+PJ061045	GMMYWW 	C43H52N8O8S2	872.335	NA	PeJP	NA	NA
+PJ061046	GSSSSSSSST 	C30H52N10O20	872.336	NA	PeJP	NA	NA
+PJ061047	GSSSSSCKM 	C31H56N10O15S2	872.3368	NA	PeJP	NA	NA
+PJ061048	SSSNNNNH 	C31H48N14O16	872.3373	NA	PeJP	NA	NA
+PJ061049	GSTEMYW 	C39H52N8O13S	872.3375	NA	PeJP	NA	NA
+PJ061050	SSMMMMR 	C32H60N10O10S4	872.3377	NA	PeJP	NA	NA
+PJ061051	GSPCCNHR 	C32H52N14O11S2	872.3382	NA	PeJP	NA	NA
+PJ061052	QMMMFW 	C40H56N8O8S3	872.3384	NA	PeJP	NA	NA
+PJ061053	CNQHWW 	C40H48N12O9S	872.3388	NA	PeJP	NA	NA
+PJ061054	GSSTTEEY 	C35H52N8O18	872.34	NA	PeJP	NA	NA
+PJ061055	GDKEMMY 	C36H56N8O13S2	872.3409	NA	PeJP	NA	NA
+PJ061056	SSNNEHW 	C36H48N12O14	872.3413	NA	PeJP	NA	NA
+PJ061057	GGGGGGPNDW 	C36H48N12O14	872.3414	NA	PeJP	NA	NA
+PJ061058	AMYYYY 	C44H52N6O11S	872.3415	NA	PeJP	NA	NA
+PJ061059	GNMMHHF 	C37H52N12O9S2	872.3422	NA	PeJP	NA	NA
+PJ061060	SSSSLMMM 	C33H60N8O13S3	872.3442	NA	PeJP	NA	NA
+PJ061061	GSSSCNRY 	C33H52N12O14S	872.3447	NA	PeJP	NA	NA
+PJ061062	AKMMMMM 	C34H64N8O8S5	872.3451	NA	PeJP	NA	NA
+PJ061063	NNNYYW 	C41H48N10O12	872.3453	NA	PeJP	NA	NA
+PJ061064	SEEHWW 	C41H48N10O12	872.3454	NA	PeJP	NA	NA
+PJ061065	CCCNKFR 	C34H56N12O9S3	872.3456	NA	PeJP	NA	NA
+MJ096649	Bussein A 	C44H56O18	872.346664	NA	MeJP	NA	NA
+PJ061066	AAEEMHW 	C38H52N10O12S	872.3487	NA	PeJP	NA	NA
+PJ061067	GDFYWW 	C46H48N8O10	872.3494	NA	PeJP	NA	NA
+PJ061068	CMMFRW 	C39H56N10O7S3	872.3496	NA	PeJP	NA	NA
+PJ061069	GPCHHHW 	C39H48N14O8S	872.3501	NA	PeJP	NA	NA
+PJ061070	SSSSSQQY 	C34H52N10O17	872.3512	NA	PeJP	NA	NA
+PJ061071	GGGGAAPEEE 	C34H52N10O17	872.3513	NA	PeJP	NA	NA
+PJ061072	GSEMMRY 	C35H56N10O12S2	872.3521	NA	PeJP	NA	NA
+PJ061073	NNNNNHF 	C35H48N14O13	872.3526	NA	PeJP	NA	NA
+PJ061074	STMYWW 	C43H52N8O10S	872.3527	NA	PeJP	NA	NA
+PJ061075	GGEMFFW 	C43H52N8O10S	872.3528	NA	PeJP	NA	NA
+PJ061076	ACCHHFR 	C36H52N14O8S2	872.3534	NA	PeJP	NA	NA
+PJ061077	SSSSSSTCK 	C31H56N10O17S	872.3546	NA	PeJP	NA	NA
+PJ061078	SSTTEYW 	C39H52N8O15	872.3552	NA	PeJP	NA	NA
+PJ061079	PPTDEEW 	C39H52N8O15	872.3553	NA	PeJP	NA	NA
+PJ061080	SSSCCKKM 	C32H60N10O12S3	872.3555	NA	PeJP	NA	NA
+PJ061081	SNNDMHR 	C32H52N14O13S	872.3559	NA	PeJP	NA	NA
+PJ061082	GGGGSDMHR 	C32H52N14O13S	872.356	NA	PeJP	NA	NA
+PJ061083	DKMMYW 	C40H56N8O10S2	872.3561	NA	PeJP	NA	NA
+PJ061084	GSSNHWW 	C40H48N12O11	872.3566	NA	PeJP	NA	NA
+PJ061085	CFFFFY 	C48H52N6O8S	872.3568	NA	PeJP	NA	NA
+PJ061086	SSKEEMY 	C36H56N8O15S	872.3586	NA	PeJP	NA	NA
+PJ061087	TTYYYY 	C44H52N6O13	872.3592	NA	PeJP	NA	NA
+PJ061088	GLQMMMY 	C37H60N8O10S3	872.3595	NA	PeJP	NA	NA
+PJ061089	DEMHRW 	C37H52N12O11S	872.36	NA	PeJP	NA	NA
+PJ061090	STTTTTMM 	C33H60N8O15S2	872.362	NA	PeJP	NA	NA
+PJ061091	ASSSQQEH 	C33H52N12O16	872.3624	NA	PeJP	NA	NA
+PJ061092	SSEEEHR 	C33H52N12O16	872.3625	NA	PeJP	NA	NA
+PJ061093	TTKMMMM 	C34H64N8O10S4	872.3629	NA	PeJP	NA	NA
+PJ061094	SCCNKRY 	C34H56N12O11S2	872.3633	NA	PeJP	NA	NA
+PJ061095	GGGGGGLMMH 	C34H56N12O11S2	872.3634	NA	PeJP	NA	NA
+PJ061096	GDDHHHR 	C34H48N16O12	872.3638	NA	PeJP	NA	NA
+PJ061097	VDMHWW 	C42H52N10O9S	872.364	NA	PeJP	NA	NA
+PJ061098	ATTEEHW 	C38H52N10O14	872.3665	NA	PeJP	NA	NA
+PJ061099	SMMRYW 	C39H56N10O9S2	872.3673	NA	PeJP	NA	NA
+PJ061100	PVTCMHW 	C39H56N10O9S2	872.3674	NA	PeJP	NA	NA
+MJ096650	Fusacandin B 	C41H60O20	872.367794	NA	MeJP	NA	NA
+PJ061101	QEHHHW 	C39H48N14O10	872.3678	NA	PeJP	NA	NA
+PJ061102	GMFFWW 	C47H52N8O7S	872.368	NA	PeJP	NA	NA
+PJ061103	SSTEMRY 	C35H56N10O14S	872.3698	NA	PeJP	NA	NA
+PJ061104	GGGSSSKMY 	C35H56N10O14S	872.3699	NA	PeJP	NA	NA
+PJ061105	VNEYYW 	C43H52N8O12	872.3705	NA	PeJP	NA	NA
+PJ061106	AAMMMRY 	C36H60N10O9S3	872.3707	NA	PeJP	NA	NA
+PJ061107	GSCQHRW 	C36H52N14O10S	872.3712	NA	PeJP	NA	NA
+3738	NA	YPFGFWG	872.372	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ061108	GSSSNEHR 	C32H52N14O15	872.3737	NA	PeJP	NA	NA
+PJ061109	SSSLMYW 	C40H56N8O12S	872.3739	NA	PeJP	NA	NA
+PJ061110	AFFYYY 	C48H52N6O10	872.3745	NA	PeJP	NA	NA
+PJ061111	GNQMMHR 	C33H56N14O10S2	872.3746	NA	PeJP	NA	NA
+PJ061112	KMMMFW 	C41H60N8O7S3	872.3747	NA	PeJP	NA	NA
+PJ061113	CNKHWW 	C41H52N12O8S	872.3752	NA	PeJP	NA	NA
+PJ061114	SSSSTLEY 	C36H56N8O17	872.3764	NA	PeJP	NA	NA
+PJ061115	ATKEMMY 	C37H60N8O12S2	872.3772	NA	PeJP	NA	NA
+PJ061116	SPPPVDMM 	C37H60N8O12S2	872.3773	NA	PeJP	NA	NA
+PJ061117	GPNDERW 	C37H52N12O13	872.3777	NA	PeJP	NA	NA
+PJ061118	GGGGGGGGGPPF 	C37H52N12O13	872.3778	NA	PeJP	NA	NA
+PJ061119	ACKMHHF 	C38H56N12O8S2	872.3786	NA	PeJP	NA	NA
+PJ061120	ATEEMHR 	C34H56N12O13S	872.3811	NA	PeJP	NA	NA
+PJ061121	PQQEWW 	C42H52N10O11	872.3817	NA	PeJP	NA	NA
+PJ061122	GGAAPEWW 	C42H52N10O11	872.3818	NA	PeJP	NA	NA
+PJ061123	APMMMHR 	C35H60N12O8S3	872.382	NA	PeJP	NA	NA
+PJ061124	SPCHHHR 	C35H52N16O9S	872.3824	NA	PeJP	NA	NA
+PJ061125	AHHHWW 	C43H48N14O7	872.3831	NA	PeJP	NA	NA
+PJ061126	NNNNNQR 	C31H52N16O14	872.3849	NA	PeJP	NA	NA
+PJ061127	GGGGGGGGNQR 	C31H52N16O14	872.385	NA	PeJP	NA	NA
+PJ061128	GTLEMHW 	C39H56N10O11S	872.3851	NA	PeJP	NA	NA
+PJ061129	GVYYWW 	C47H52N8O9	872.3858	NA	PeJP	NA	NA
+PJ061130	SSSSSQKY 	C35H56N10O16	872.3876	NA	PeJP	NA	NA
+PJ061131	ATTMMRY 	C36H60N10O11S2	872.3885	NA	PeJP	NA	NA
+PJ061132	SSSNHRW 	C36H52N14O12	872.3889	NA	PeJP	NA	NA
+PJ061133	GGSSSHRW 	C36H52N14O12	872.389	NA	PeJP	NA	NA
+PJ061134	VQMFYW 	C44H56N8O9S	872.3891	NA	PeJP	NA	NA
+PJ061135	TTTTTYW 	C40H56N8O14	872.3916	NA	PeJP	NA	NA
+PJ061136	SSQQMHR 	C33H56N14O12S	872.3923	NA	PeJP	NA	NA
+PJ061137	GGGGGGGAPMR 	C33H56N14O12S	872.3924	NA	PeJP	NA	NA
+PJ061138	GPKMMFY 	C41H60N8O9S2	872.3925	NA	PeJP	NA	NA
+PJ061139	PNDRWW 	C41H52N12O10	872.393	NA	PeJP	NA	NA
+PJ061140	TTTKEMY 	C37H60N8O14S	872.395	NA	PeJP	NA	NA
+PJ061141	GLKMMMY 	C38H64N8O9S3	872.3959	NA	PeJP	NA	NA
+PJ061142	SPPCQRW 	C38H56N12O10S	872.3963	NA	PeJP	NA	NA
+PJ061143	GGPPTCRW 	C38H56N12O10S	872.3964	NA	PeJP	NA	NA
+PJ061144	APQWWW 	C46H52N10O8	872.397	NA	PeJP	NA	NA
+PJ061145	TTTEEHR 	C34H56N12O15	872.3988	NA	PeJP	NA	NA
+PJ061146	GGPTQEER 	C34H56N12O15	872.3989	NA	PeJP	NA	NA
+PJ061147	GLEMMHR 	C35H60N12O10S2	872.3997	NA	PeJP	NA	NA
+PJ061148	GTEHHHR 	C35H52N16O11	872.4002	NA	PeJP	NA	NA
+PJ061149	TLMHWW 	C43H56N10O8S	872.4004	NA	PeJP	NA	NA
+PJ061150	STTLEHW 	C39H56N10O13	872.4029	NA	PeJP	NA	NA
+PJ061151	SSCQHRR 	C32H56N16O11S	872.4036	NA	PeJP	NA	NA
+PJ061152	GVLMMHW 	C40H60N10O8S2	872.4037	NA	PeJP	NA	NA
+MJ096651	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-?-L-thevetoside] 	C42H64O19	872.404179	NA	MeJP	NA	NA
+MJ096652	3,14-Dihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-3-O-methyl-?-L-rhamnopyranoside] 	C42H64O19	872.404179	NA	MeJP	NA	NA
+MJ096653	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C42H64O19	872.404179	NA	MeJP	NA	NA
+MJ096654	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] 	C42H64O19	872.404179	NA	MeJP	NA	NA
+C08881	k-Strophanthoside	C42H64O19	872.4042	NA	KEGG	NA	NA
+C08882	Thevetin A	C42H64O19	872.4042	NA	KEGG	NA	NA
+PJ061153	NNHFRW 	C40H52N14O9	872.4042	NA	PeJP	NA	NA
+PJ061154	TTTTMRY 	C36H60N10O13S	872.4062	NA	PeJP	NA	NA
+PJ061155	AAAAPVNEM 	C36H60N10O13S	872.4063	NA	PeJP	NA	NA
+PJ061156	VDKYYW 	C44H56N8O11	872.4069	NA	PeJP	NA	NA
+PJ061157	PVKMMMH 	C37H64N10O8S3	872.4071	NA	PeJP	NA	NA
+PJ061158	GSCKHRW 	C37H56N14O9S	872.4076	NA	PeJP	NA	NA
+PJ061159	SPNDERR 	C33H56N14O14	872.4101	NA	PeJP	NA	NA
+PJ061160	APTKMYY 	C41H60N8O11S	872.4102	NA	PeJP	NA	NA
+PJ061161	PPTLEMW 	C41H60N8O11S	872.4103	NA	PeJP	NA	NA
+PJ061162	ACQKMHR 	C34H60N14O9S2	872.4109	NA	PeJP	NA	NA
+PJ061163	PPCNMRR 	C34H60N14O9S2	872.411	NA	PeJP	NA	NA
+PJ061164	PMHFRW 	C42H56N12O7S	872.4116	NA	PeJP	NA	NA
+PJ061165	SSTTTTLY 	C37H60N8O16	872.4127	NA	PeJP	NA	NA
+PJ061166	PLKEEEE 	C37H60N8O16	872.4128	NA	PeJP	NA	NA
+PJ061167	STLKMMY 	C38H64N8O11S2	872.4136	NA	PeJP	NA	NA
+PJ061168	GPTQERW 	C38H56N12O12	872.4141	NA	PeJP	NA	NA
+PJ061169	LMMHRW 	C39H60N12O7S2	872.415	NA	PeJP	NA	NA
+PJ061170	THHHRW 	C39H52N16O8	872.4154	NA	PeJP	NA	NA
+PJ061171	STLEMHR 	C35H60N12O12S	872.4175	NA	PeJP	NA	NA
+PJ061172	PQKEWW 	C43H56N10O10	872.4181	NA	PeJP	NA	NA
+PJ061173	GVMHHHR 	C36H56N16O8S	872.4188	NA	PeJP	NA	NA
+PJ061174	GSSSSHRR 	C32H56N16O13	872.4213	NA	PeJP	NA	NA
+PJ061175	GGGGGGGGGGKR 	C32H56N16O13	872.4214	NA	PeJP	NA	NA
+PJ061176	SSLLMHW 	C40H60N10O10S	872.4215	NA	PeJP	NA	NA
+PJ061177	VQFFFW 	C48H56N8O8	872.4221	NA	PeJP	NA	NA
+PJ061178	GGLFFFW 	C48H56N8O8	872.4222	NA	PeJP	NA	NA
+PJ061179	SSSSSKKY 	C36H60N10O15	872.424	NA	PeJP	NA	NA
+PJ061180	TCCKKKY 	C37H64N10O10S2	872.4249	NA	PeJP	NA	NA
+PJ061181	GSPDRRW 	C37H56N14O11	872.4253	NA	PeJP	NA	NA
+PJ061182	GGGGGVQRW 	C37H56N14O11	872.4254	NA	PeJP	NA	NA
+PJ061183	VKMFYW 	C45H60N8O8S	872.4255	NA	PeJP	NA	NA
+PJ061184	SPLLEEW 	C41H60N8O13	872.428	NA	PeJP	NA	NA
+PJ061185	GPQEMRR 	C34H60N14O11S	872.4287	NA	PeJP	NA	NA
+PJ061186	PPVLMMW 	C42H64N8O8S2	872.4289	NA	PeJP	NA	NA
+PJ061187	PTQRWW 	C42H56N12O9	872.4294	NA	PeJP	NA	NA
+PJ061188	MHHHRR 	C35H56N18O7S	872.4301	NA	PeJP	NA	NA
+PJ061189	AAPLLEEM 	C38H64N8O13S	872.4314	NA	PeJP	NA	NA
+PJ061190	GPVQMRW 	C39H60N12O9S	872.4327	NA	PeJP	NA	NA
+PJ061191	APKWWW 	C47H56N10O7	872.4334	NA	PeJP	NA	NA
+PJ061192	SPQKEER 	C35H60N12O14	872.4352	NA	PeJP	NA	NA
+PJ061193	GGGVVVDDR 	C35H60N12O14	872.4353	NA	PeJP	NA	NA
+3428	NA	EILDVPST	872.4359	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ061194	SVLMMHR 	C36H64N12O9S2	872.4361	NA	PeJP	NA	NA
+PJ061195	NNQRRW 	C36H56N16O10	872.4366	NA	PeJP	NA	NA
+PJ061196	SPVQKEW 	C40H60N10O12	872.4392	NA	PeJP	NA	NA
+PJ061197	GPKKEEW 	C40H60N10O12	872.4393	NA	PeJP	NA	NA
+PJ061198	SSCKHRR 	C33H60N16O10S	872.4399	NA	PeJP	NA	NA
+PJ061199	GPCERRR 	C33H60N16O10S	872.44	NA	PeJP	NA	NA
+MJ096655	Spirost-5-ene-1,3,23,24-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C43H68O18	872.440565	NA	MeJP	NA	NA
+PJ061200	APKHHHF 	C41H56N14O8	872.4406	NA	PeJP	NA	NA
+MJ096656	Halishigamide C 	C44H64N4O14	872.441902	NA	MeJP	NA	NA
+MJ096657	Halishigamide D 	C44H64N4O14	872.441902	NA	MeJP	NA	NA
+PJ061201	PVLEEMR 	C37H64N10O12S	872.4426	NA	PeJP	NA	NA
+PJ061202	TLKYYW 	C45H60N8O10	872.4433	NA	PeJP	NA	NA
+PJ061203	PQMRRW 	C38H60N14O8S	872.444	NA	PeJP	NA	NA
+3827	ileum contracting peptide	PMYPLPR	872.4444	neuropeptide	Inhouse_peptide	NA	peptide
+PJ061204	GVQEERR 	C34H60N14O13	872.4465	NA	PeJP	NA	NA
+PJ061205	GVLKMYY 	C42H64N8O10S	872.4466	NA	PeJP	NA	NA
+PJ061206	PVVLEMW 	C42H64N8O10S	872.4467	NA	PeJP	NA	NA
+PJ061207	ACKKMHR 	C35H64N14O8S2	872.4473	NA	PeJP	NA	NA
+PJ061208	GPNHHRR 	C35H56N18O9	872.4478	NA	PeJP	NA	NA
+PJ061209	LLLQEEE 	C38H64N8O15	872.4492	NA	PeJP	NA	NA
+PJ061210	APPTLLMM 	C39H68N8O10S2	872.45	NA	PeJP	NA	NA
+PJ061211	GPTKERW 	C39H60N12O11	872.4505	NA	PeJP	NA	NA
+PJ061212	PVNKEMR 	C36H64N12O11S	872.4539	NA	PeJP	NA	NA
+PJ061213	PKKEWW 	C44H60N10O9	872.4545	NA	PeJP	NA	NA
+PJ061214	PCRRRW 	C37H60N16O7S	872.4552	NA	PeJP	NA	NA
+MJ096658	3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[4-Methoxybenzoyl-(?2)-?-D-xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] 	C47H68O15	872.455821	NA	MeJP	NA	NA
+MJ096659	Pectenotoxin 1; 43-Ketone 	C47H68O15	872.455821	NA	MeJP	NA	NA
+PJ061215	QEERRR 	C33H60N16O12	872.4577	NA	PeJP	NA	NA
+PJ061216	SPPKKMW 	C41H64N10O9S	872.4579	NA	PeJP	NA	NA
+PJ061217	VKFFFW 	C49H60N8O7	872.4585	NA	PeJP	NA	NA
+PJ061218	VVLEEER 	C37H64N10O14	872.4604	NA	PeJP	NA	NA
+PJ061219	TLLKMMH 	C38H68N10O9S2	872.4613	NA	PeJP	NA	NA
+MJ096660	11-Hydroxyhexadecanoic acid, O-[6-Deoxy-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-galactopyranoside] 	C40H72O20	872.461694	NA	MeJP	NA	NA
+MJ096661	11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C40H72O20	872.461694	NA	MeJP	NA	NA
+PJ061220	VQERRW 	C38H60N14O10	872.4617	NA	PeJP	NA	NA
+MJ096662	N-Deacyltunicamycin; N4''-(16-Methyl-2-heptadecenoyl) 	C41H68N4O16	872.463032	NA	MeJP	NA	NA
+PJ061221	ALLLEEW 	C42H64N8O12	872.4644	NA	PeJP	NA	NA
+7796	Antioxidant peptide derived from bovine b-casein	VKEAMAPK	872.4644	antioxidative	Inhouse_peptide	NA	peptide
+PJ061222	GPKEMRR 	C35H64N14O10S	872.4651	NA	PeJP	NA	NA
+PJ061223	PTKRWW 	C43H60N12O8	872.4657	NA	PeJP	NA	NA
+PJ061224	GGVLRWW 	C43H60N12O8	872.4658	NA	PeJP	NA	NA
+PJ061225	GPTLLLEM 	C39H68N8O12S	872.4678	NA	PeJP	NA	NA
+PJ061226	DDRRRR 	C32H60N18O11	872.4689	NA	PeJP	NA	NA
+PJ061227	GGGGGTRRR 	C32H60N18O11	872.469	NA	PeJP	NA	NA
+PJ061228	GPVKMRW 	C40H64N12O8S	872.4691	NA	PeJP	NA	NA
+PJ061229	SPKKEER 	C36H64N12O13	872.4716	NA	PeJP	NA	NA
+PJ061230	AKKKMMH 	C37H68N12O8S2	872.4725	NA	PeJP	NA	NA
+PJ061231	AERRRW 	C37H60N16O9	872.473	NA	PeJP	NA	NA
+PJ061232	SPVKKEW 	C41H64N10O11	872.4756	NA	PeJP	NA	NA
+PJ061233	GGAILKEW 	C41H64N10O11	872.4757	NA	PeJP	NA	NA
+PJ061234	GPTMRRR 	C34H64N16O9S	872.4763	NA	PeJP	NA	NA
+MJ096663	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096664	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096665	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096666	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096667	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096668	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096669	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096670	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096671	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096672	Spirostan-3-ol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-galactopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+MJ096673	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H72O17	872.47695	NA	MeJP	NA	NA
+PJ061235	GLRRWW 	C42H60N14O7	872.477	NA	PeJP	NA	NA
+PJ061236	PLQKKEM 	C38H68N10O11S	872.479	NA	PeJP	NA	NA
+PJ061237	PPVVLYW 	C46H64N8O9	872.4797	NA	PeJP	NA	NA
+PJ061238	PKMRRW 	C39H64N14O7S	872.4804	NA	PeJP	NA	NA
+PJ061239	SPTKERR 	C35H64N14O12	872.4828	NA	PeJP	NA	NA
+PJ061240	GVKEERR 	C35H64N14O12	872.4829	NA	PeJP	NA	NA
+PJ061241	PTLLLMW 	C43H68N8O9S	872.483	NA	PeJP	NA	NA
+PJ061242	LLLKEEE 	C39H68N8O14	872.4855	NA	PeJP	NA	NA
+PJ061243	GPVLLLMM 	C40H72N8O9S2	872.4864	NA	PeJP	NA	NA
+PJ061244	AALKERW 	C40H64N12O10	872.4869	NA	PeJP	NA	NA
+PJ061245	PTLQKMR 	C37H68N12O10S	872.4902	NA	PeJP	NA	NA
+PJ061246	PVDKKMR 	C37H68N12O10S	872.4903	NA	PeJP	NA	NA
+PJ061247	LLQKWW 	C45H64N10O8	872.4909	NA	PeJP	NA	NA
+C11968	Avermectin A1b	C48H72O14	872.4922	NA	KEGG	NA	NA
+C11983	Avermectin B1a	C48H72O14	872.4922	NA	KEGG	NA	NA
+MJ096674	Avermectin B1a 	C48H72O14	872.492207	NA	MeJP	NA	NA
+MJ096675	Avermectin B1b; O5-Me 	C48H72O14	872.492207	NA	MeJP	NA	NA
+PJ061248	KEERRR 	C34H64N16O11	872.4941	NA	PeJP	NA	NA
+PJ061249	APLKKMW 	C42H68N10O8S	872.4943	NA	PeJP	NA	NA
+PJ061250	TLLLEER 	C38H68N10O13	872.4968	NA	PeJP	NA	NA
+PJ061251	PLLLMMR 	C39H72N10O8S2	872.4976	NA	PeJP	NA	NA
+PJ061252	VKERRW 	C39H64N14O9	872.4981	NA	PeJP	NA	NA
+PJ061253	SLLLLEW 	C43H68N8O11	872.5008	NA	PeJP	NA	NA
+PJ061254	SPVKMRR 	C36H68N14O9S	872.5015	NA	PeJP	NA	NA
+PJ061255	VVKRWW 	C44H64N12O7	872.5021	NA	PeJP	NA	NA
+PJ061256	AALLLLEM 	C40H72N8O11S	872.5042	NA	PeJP	NA	NA
+PJ061257	TERRRR 	C33H64N18O10	872.5053	NA	PeJP	NA	NA
+PJ061258	ALKKEER 	C37H68N12O12	872.508	NA	PeJP	NA	NA
+PJ061259	SLRRRW 	C38H64N16O8	872.5093	NA	PeJP	NA	NA
+PJ061260	AAPFRRR 	C38H64N16O8	872.5094	NA	PeJP	NA	NA
+PJ061261	GLLKKEW 	C42H68N10O10	872.512	NA	PeJP	NA	NA
+PJ061262	AALMRRR 	C35H68N16O8S	872.5127	NA	PeJP	NA	NA
+MJ096676	3,6,16,22-Hopanetetrol, 3-O-?-D-Xylopyranoside, 6-O-?-L-arabinopyranoside, 22-O-?-D-xylopyranoside 	C45H76O16	872.513336	NA	MeJP	NA	NA
+MJ096677	3,6,16,22-Hopanetetrol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-arabinopyranoside], 16-?-L-arabinopyranoside 	C45H76O16	872.513336	NA	MeJP	NA	NA
+MJ096678	Semduramicin 	C45H76O16	872.513336	NA	MeJP	NA	NA
+MJ096679	Antibiotic PF 1022; Antibiotic PF 1022D 	C46H72N4O12	872.514673	NA	MeJP	NA	NA
+PJ061263	VLLLEMR 	C39H72N10O10S	872.5154	NA	PeJP	NA	NA
+PJ061264	PVVLLFW 	C47H68N8O8	872.5161	NA	PeJP	NA	NA
+PJ061265	ATLKERR 	C36H68N14O11	872.5192	NA	PeJP	NA	NA
+PJ061266	GGAKKKER 	C36H68N14O11	872.5193	NA	PeJP	NA	NA
+PJ061267	VVLLLMW 	C44H72N8O8S	872.5194	NA	PeJP	NA	NA
+PJ061268	ATTLLLLE 	C40H72N8O13	872.5219	NA	PeJP	NA	NA
+PJ061269	GTLLKRW 	C41H68N12O9	872.5233	NA	PeJP	NA	NA
+PJ061270	VMRRRR 	C34H68N18O7S	872.524	NA	PeJP	NA	NA
+PJ061271	PTLKKMR 	C38H72N12O9S	872.5266	NA	PeJP	NA	NA
+PJ061272	LLKKWW 	C46H68N10O7	872.5273	NA	PeJP	NA	NA
+PJ061273	ATTLRRR 	C35H68N16O10	872.5305	NA	PeJP	NA	NA
+PJ061274	SSPTLLKK 	C39H72N10O12	872.5331	NA	PeJP	NA	NA
+PJ061275	VLKKKEE 	C39H72N10O12	872.5332	NA	PeJP	NA	NA
+PJ061276	QKKKRW 	C40H68N14O8	872.5345	NA	PeJP	NA	NA
+PJ061277	AAPLLLLY 	C44H72N8O10	872.5372	NA	PeJP	NA	NA
+PJ061278	GLLKMRR 	C37H72N14O8S	872.5379	NA	PeJP	NA	NA
+PJ061279	GTLLLLLM 	C41H76N8O10S	872.5406	NA	PeJP	NA	NA
+PJ061280	SLLKKER 	C38H72N12O11	872.5444	NA	PeJP	NA	NA
+PJ061281	SVLLKKW 	C43H72N10O9	872.5484	NA	PeJP	NA	NA
+PJ061282	LLLQKKM 	C40H76N10O9S	872.5518	NA	PeJP	NA	NA
+PJ061283	STLLKRR 	C37H72N14O10	872.5556	NA	PeJP	NA	NA
+PJ061284	STTLLLLL 	C41H76N8O12	872.5583	NA	PeJP	NA	NA
+PJ061285	GVKKKKW 	C42H72N12O8	872.5597	NA	PeJP	NA	NA
+PJ061286	VVLKKMR 	C39H76N12O8S	872.563	NA	PeJP	NA	NA
+PJ061287	GTKKKRR 	C36H72N16O9	872.5669	NA	PeJP	NA	NA
+PJ061288	GTTLLLKK 	C40H76N10O11	872.5695	NA	PeJP	NA	NA
+PJ061289	KKKKRW 	C41H72N14O7	872.5709	NA	PeJP	NA	NA
+PJ061290	AALLLLLF 	C45H76N8O9	872.5736	NA	PeJP	NA	NA
+PJ061291	VDKKKKK 	C39H76N12O10	872.5808	NA	PeJP	NA	NA
+PJ061292	VLLLLFR 	C44H76N10O8	872.5848	NA	PeJP	NA	NA
+PJ061293	LLLKKKM 	C41H80N10O8S	872.5882	NA	PeJP	NA	NA
+PJ061294	SVKKKKR 	C38H76N14O9	872.592	NA	PeJP	NA	NA
+PJ061295	TLKKKKK 	C40H80N12O9	872.6172	NA	PeJP	NA	NA
+MJ096680	Molliorin B 	C58H84N2O4	872.643109	NA	MeJP	NA	NA
+MJ096681	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-eicosanoyl 	C56H88O7	872.653005	NA	MeJP	NA	NA
+MJ096682	Glycerol tri-9,11,13-octadecatrienoate 	C57H92O6	872.68939	NA	MeJP	NA	NA
+MJ096683	Glycerol tri-9,12,15-octadecatrienoate 	C57H92O6	872.68939	NA	MeJP	NA	NA
+MJ096684	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-di-(9Z,11E,13Z-octadecatrienoate) 3-(8Z,11Z,13E-octadecatrienoate) 	C57H92O6	872.68939	NA	MeJP	NA	NA
+HMDB10498	TG(18:3(9Z,12Z,15Z)/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C57H92O6	872.689392	NA	HMDB2010	NA	NA
+MJ096685	2-Amino-17-methyl-1,3,4-octadecanetriol, N-(2R-Hydroxydocosanoyl), 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C49H96N2O10	872.706497	NA	MeJP	NA	NA
+MJ096686	1-Dotriacontanol; Octacosanoyl 	C60H120O2	872.928833	NA	MeJP	NA	NA
+MetaCyc04221	cyclohexa-1,5-dienecarbonyl-CoA [S-1,5-cyclohexadiene-1-carboxylate coenzymeA;cyclohexa-1,5-diene-1-carbonyl-CoA;]	C28H42N7O17P3S1	873.157073	NA	metacyc	NA	NA
+MetaCyc04222	cyclohex-1,5-diene-1-carboxyl-CoA [cyclohex-1,5-diene-1-carbonyl-CoA;cyclohexa-1,5-diene-1-carboxyl-CoA;cyclohexa-1,5-diene-1-carbonyl-CoA;]	C28H42N7O17P3S1	873.157073	NA	metacyc	NA	NA
+C06322	S-1,5-Cyclohexadiene-1-carboxylate coenzymeA	C28H42N7O17P3S	873.1571	NA	KEGG	NA	NA
+C09809	Cyclohex-2,5-diene-1-carboxyl-CoA	C28H42N7O17P3S	873.1571	NA	KEGG	NA	NA
+C09810	Cyclohex-1,4-diene-1-carboxyl-CoA	C28H42N7O17P3S	873.1571	NA	KEGG	NA	NA
+HMDB12207	Cyclohex-1,5-diene-1-carboxyl-CoA	C28H42N7O17P3S	873.157104	NA	HMDB2010	NA	NA
+PJ061296	SCCCNDDD 	C28H43N9O17S3	873.1939	NA	PeJP	NA	NA
+PJ061297	GGSCCCDDD 	C28H43N9O17S3	873.194	NA	PeJP	NA	NA
+PJ061298	PCCCCCNE 	C29H47N9O12S5	873.1948	NA	PeJP	NA	NA
+FL7AACGL0055	Cyanidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)	C40H41O22	873.20894	123453-03-2	knapsack	NA	NA
+FL7AAHGL0014	Petunidin 3-(6''-p-coumarylglucoside)-5-(6'''-malonylglucoside)	C40H41O22	873.20894	163857-14-5	knapsack	NA	NA
+PJ061299	GPCCCCCW 	C33H47N9O9S5	873.2101	NA	PeJP	NA	NA
+PJ061300	GCCCNDEM 	C29H47N9O14S4	873.2126	NA	PeJP	NA	NA
+PJ061301	GCCCCDDR 	C28H47N11O13S4	873.2238	NA	PeJP	NA	NA
+PJ061302	CCCNDMW 	C33H47N9O11S4	873.2278	NA	PeJP	NA	NA
+PJ061303	SSCCNDDM 	C29H47N9O16S3	873.2303	NA	PeJP	NA	NA
+PJ061304	SPCCCCQM 	C30H51N9O11S5	873.2312	NA	PeJP	NA	NA
+PJ061305	CDDDDEY 	C33H43N7O19S	873.2335	NA	PeJP	NA	NA
+PJ061306	CDDEMMM 	C31H51N7O14S4	873.2377	NA	PeJP	NA	NA
+PJ061307	GSSSCCCNN 	C28H47N11O15S3	873.2416	NA	PeJP	NA	NA
+PJ061308	SPCCCCCR 	C29H51N11O10S5	873.2424	NA	PeJP	NA	NA
+MJ096687	Tatiopterin; Tatiopterin O 	C33H44N7O19P	873.242958	NA	MeJP	NA	NA
+PJ061309	ACCCCWW 	C37H47N9O8S4	873.2431	NA	PeJP	NA	NA
+PJ061310	GSSCCCEW 	C33H47N9O13S3	873.2456	NA	PeJP	NA	NA
+PJ061311	CCCMMHF 	C34H51N9O8S5	873.2465	NA	PeJP	NA	NA
+PJ061312	GSSSSCCDE 	C29H47N9O18S2	873.2481	NA	PeJP	NA	NA
+PJ061313	GSCCNEMM 	C30H51N9O13S4	873.249	NA	PeJP	NA	NA
+PJ061314	GCCCYYY 	C38H47N7O11S3	873.2496	NA	PeJP	NA	NA
+PJ061315	CDDDEMF 	C34H47N7O16S2	873.2521	NA	PeJP	NA	NA
+PJ061316	GCCCNNNF 	C32H47N11O12S3	873.2568	NA	PeJP	NA	NA
+PJ061317	GSCCCDMR 	C29H51N11O12S4	873.2602	NA	PeJP	NA	NA
+PJ061318	SSCCCWW 	C37H47N9O10S3	873.2608	NA	PeJP	NA	NA
+PJ061319	DDDDEEH 	C32H43N9O20	873.2625	NA	PeJP	NA	NA
+PJ061320	SSSSCCDW 	C33H47N9O15S2	873.2633	NA	PeJP	NA	NA
+PJ061321	GGGGCDDMY 	C33H47N9O15S2	873.2634	NA	PeJP	NA	NA
+PJ061322	SCCNMMW 	C34H51N9O10S4	873.2642	NA	PeJP	NA	NA
+PJ061323	SSSSSSCDD 	C29H47N9O20S	873.2658	NA	PeJP	NA	NA
+PJ061324	SSSCNDMM 	C30H51N9O15S3	873.2667	NA	PeJP	NA	NA
+PJ061325	CNNMMMM 	C31H55N9O10S5	873.2676	NA	PeJP	NA	NA
+PJ061326	GSCCCQHH 	C31H47N13O11S3	873.2681	NA	PeJP	NA	NA
+MJ096688	Perdeacylhypoglaunine; 14-(3-Furancarbonyl), 1,2,6,8,9-penta-Ac 	C41H47NO20	873.269142	NA	MeJP	NA	NA
+MJ096689	Perdeacylhypoglaunine; 2-(2-Furancarbonyl), 1,6,8,9,14-penta-Ac 	C41H47NO20	873.269142	NA	MeJP	NA	NA
+MJ096690	Perdeacylisowilfordine; 2-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac 	C41H47NO20	873.269142	NA	MeJP	NA	NA
+MJ096691	Perdeacylwilfortrine; 2-O-(3-Furancarbonyl), 1,6,8,9,14-penta-Ac 	C41H47NO20	873.269142	NA	MeJP	NA	NA
+PJ061327	SDDDEMY 	C34H47N7O18S	873.2699	NA	PeJP	NA	NA
+PJ061328	PCDDMMY 	C35H51N7O13S3	873.2707	NA	PeJP	NA	NA
+PJ061329	GSNDDDDH 	C31H43N11O19	873.2737	NA	PeJP	NA	NA
+PJ061330	SDEMMMM 	C32H55N7O13S4	873.2741	NA	PeJP	NA	NA
+PJ061331	GSCCNNNY 	C32H47N11O14S2	873.2746	NA	PeJP	NA	NA
+PJ061332	PCMMMMM 	C33H59N7O8S6	873.275	NA	PeJP	NA	NA
+PJ061333	TCCCCRW 	C33H51N11O9S4	873.2754	NA	PeJP	NA	NA
+PJ061334	SSSCCCER 	C29H51N11O14S3	873.2779	NA	PeJP	NA	NA
+PJ061335	GCCNEYW 	C37H47N9O12S2	873.2786	NA	PeJP	NA	NA
+PJ061336	CCCQMMR 	C30H55N11O9S5	873.2788	NA	PeJP	NA	NA
+PJ061337	GSSCNDEY 	C33H47N9O17S	873.2811	NA	PeJP	NA	NA
+PJ061338	GSSTCCMW 	C34H51N9O12S3	873.282	NA	PeJP	NA	NA
+PJ061339	GSSSSSCEM 	C30H51N9O17S2	873.2845	NA	PeJP	NA	NA
+PJ061340	PCDDDFY 	C38H47N7O15S	873.2851	NA	PeJP	NA	NA
+PJ061341	GSSCQMMM 	C31H55N9O12S4	873.2853	NA	PeJP	NA	NA
+PJ061342	SSSCCNHH 	C31H47N13O13S2	873.2858	NA	PeJP	NA	NA
+PJ061343	GDEEMMY 	C35H51N7O15S2	873.2885	NA	PeJP	NA	NA
+PJ061344	PCDMMMF 	C36H55N7O10S4	873.2894	NA	PeJP	NA	NA
+PJ061345	PCCNDHW 	C36H47N11O11S2	873.2898	NA	PeJP	NA	NA
+PJ061346	CCCCMRR 	C29H55N13O8S5	873.2901	NA	PeJP	NA	NA
+PJ061347	NNDDEMH 	C32H47N11O16S	873.2923	NA	PeJP	NA	NA
+PJ061348	GGGGDDEMH 	C32H47N11O16S	873.2924	NA	PeJP	NA	NA
+PJ061349	AEMMMMM 	C33H59N7O10S5	873.2927	NA	PeJP	NA	NA
+PJ061350	CCCNEFR 	C33H51N11O11S3	873.2932	NA	PeJP	NA	NA
+PJ061351	CCNYWW 	C41H47N9O9S2	873.2938	NA	PeJP	NA	NA
+PJ061352	GGCCYWW 	C41H47N9O9S2	873.2939	NA	PeJP	NA	NA
+PJ061353	SSCNDYW 	C37H47N9O14S	873.2963	NA	PeJP	NA	NA
+PJ061354	GGSSCDYW 	C37H47N9O14S	873.2964	NA	PeJP	NA	NA
+PJ061355	GSSCCMMR 	C30H55N11O11S4	873.2966	NA	PeJP	NA	NA
+PJ061356	GCCQMFW 	C38H51N9O9S3	873.2972	NA	PeJP	NA	NA
+PJ061357	SSSSNDDY 	C33H47N9O19	873.2988	NA	PeJP	NA	NA
+PJ061358	GGSSSSDDY 	C33H47N9O19	873.2989	NA	PeJP	NA	NA
+PJ061359	SSSSSCMW 	C34H51N9O14S2	873.2997	NA	PeJP	NA	NA
+PJ061360	TCCCKMW 	C35H55N9O9S4	873.3006	NA	PeJP	NA	NA
+PJ061361	CCNNHHF 	C35H47N13O10S2	873.3011	NA	PeJP	NA	NA
+PJ061362	SSSSSSSDM 	C30H51N9O19S	873.3022	NA	PeJP	NA	NA
+PJ061363	SPDDDYY 	C38H47N7O17	873.3029	NA	PeJP	NA	NA
+PJ061364	SSSSNMMM 	C31H55N9O14S3	873.3031	NA	PeJP	NA	NA
+PJ061365	CNDDDHR 	C31H47N13O15S	873.3036	NA	PeJP	NA	NA
+PJ061366	DEMMYW 	C39H51N7O12S2	873.3037	NA	PeJP	NA	NA
+PJ061367	PCDDMFF 	C39H51N7O12S2	873.3038	NA	PeJP	NA	NA
+PJ061368	CCQKMMM 	C32H59N9O9S5	873.304	NA	PeJP	NA	NA
+PJ061369	GSCCCKHH 	C32H51N13O10S3	873.3044	NA	PeJP	NA	NA
+PJ061370	SSEEEMY 	C35H51N7O17S	873.3062	NA	PeJP	NA	NA
+PJ061371	SPDMMMY 	C36H55N7O12S3	873.3071	NA	PeJP	NA	NA
+PJ061372	GNDDMHW 	C36H47N11O13S	873.3076	NA	PeJP	NA	NA
+PJ061373	GCCCFRW 	C37H51N11O8S3	873.3085	NA	PeJP	NA	NA
+PJ061374	GSSNDEEH 	C32H47N11O18	873.3101	NA	PeJP	NA	NA
+PJ061375	TTEMMMM 	C33H59N7O12S4	873.3105	NA	PeJP	NA	NA
+PJ061376	SCCNERY 	C33H51N11O13S2	873.311	NA	PeJP	NA	NA
+PJ061377	GMMMMHH 	C34H55N11O8S4	873.3118	NA	PeJP	NA	NA
+PJ061378	TCCHHHH 	C34H47N15O9S2	873.3123	NA	PeJP	NA	NA
+PJ061379	GNNDEYY 	C37H47N9O16	873.3141	NA	PeJP	NA	NA
+PJ061380	SSSTCCMR 	C30H55N11O13S3	873.3143	NA	PeJP	NA	NA
+PJ061381	GSCQMYW 	C38H51N9O11S2	873.315	NA	PeJP	NA	NA
+PJ061382	CCCKMMR 	C31H59N11O8S5	873.3152	NA	PeJP	NA	NA
+PJ061383	GSSSNEMY 	C34H51N9O16S	873.3175	NA	PeJP	NA	NA
+PJ061384	DDEFYW 	C42H47N7O14	873.3181	NA	PeJP	NA	NA
+PJ061385	GNQMMMY 	C35H55N9O11S3	873.3183	NA	PeJP	NA	NA
+PJ061386	GGGQMMMY 	C35H55N9O11S3	873.3184	NA	PeJP	NA	NA
+PJ061387	SCNNNHW 	C35H47N13O12S	873.3188	NA	PeJP	NA	NA
+PJ061388	GSSSSSTMM 	C31H55N9O16S2	873.3208	NA	PeJP	NA	NA
+PJ061389	SSSNNNDH 	C31H47N13O17	873.3213	NA	PeJP	NA	NA
+PJ061390	GPDEMYY 	C39H51N7O14S	873.3215	NA	PeJP	NA	NA
+PJ061391	GSSCKMMM 	C32H59N9O11S4	873.3217	NA	PeJP	NA	NA
+PJ061392	GSPCCDHR 	C32H51N13O12S2	873.3222	NA	PeJP	NA	NA
+PJ061393	EMMMFW 	C40H55N7O9S3	873.3224	NA	PeJP	NA	NA
+PJ061394	CNEHWW 	C40H47N11O10S	873.3228	NA	PeJP	NA	NA
+PJ061395	GGCEHWW 	C40H47N11O10S	873.3229	NA	PeJP	NA	NA
+PJ061396	ATEEMMY 	C36H55N7O14S2	873.3249	NA	PeJP	NA	NA
+PJ061397	SSNDEHW 	C36H47N11O15	873.3253	NA	PeJP	NA	NA
+PJ061398	GGSSDEHW 	C36H47N11O15	873.3254	NA	PeJP	NA	NA
+PJ061399	APMMMMY 	C37H59N7O9S4	873.3257	NA	PeJP	NA	NA
+PJ061400	GSCCRYW 	C37H51N11O10S2	873.3262	NA	PeJP	NA	NA
+PJ061401	GSSSCDRY 	C33H51N11O15S	873.3287	NA	PeJP	NA	NA
+PJ061402	SLMMMMM 	C34H63N7O9S5	873.3291	NA	PeJP	NA	NA
+PJ061403	NNDYYW 	C41H47N9O13	873.3294	NA	PeJP	NA	NA
+PJ061404	GCNMMRY 	C34H55N11O10S3	873.3296	NA	PeJP	NA	NA
+PJ061405	ACCHFFF 	C42H51N9O8S2	873.3302	NA	PeJP	NA	NA
+PJ061406	GNNNNNNN 	C30H47N15O16	873.3325	NA	PeJP	NA	NA
+PJ061407	GGGNNNNNN 	C30H47N15O16	873.3326	NA	PeJP	NA	NA
+PJ061408	SSSNMYW 	C38H51N9O13S	873.3327	NA	PeJP	NA	NA
+PJ061409	GGPPDDMW 	C38H51N9O13S	873.3328	NA	PeJP	NA	NA
+PJ061410	CCNNQHR 	C31H51N15O11S2	873.3334	NA	PeJP	NA	NA
+PJ061411	GGGGGACCHR 	C31H51N15O11S2	873.3335	NA	PeJP	NA	NA
+PJ061412	GCCKMFW 	C39H55N9O8S3	873.3336	NA	PeJP	NA	NA
+PJ061413	SSSSSQEY 	C34H51N9O18	873.3352	NA	PeJP	NA	NA
+PJ061414	GGPQEEEE 	C34H51N9O18	873.3353	NA	PeJP	NA	NA
+PJ061415	SSQQMMY 	C35H55N9O13S2	873.3361	NA	PeJP	NA	NA
+PJ061416	NNNNDHF 	C35H47N13O14	873.3366	NA	PeJP	NA	NA
+PJ061417	PDMYYW 	C43H51N7O11S	873.3368	NA	PeJP	NA	NA
+PJ061418	PPMMMMH 	C36H59N9O8S4	873.337	NA	PeJP	NA	NA
+PJ061419	GCHWWW 	C44H47N11O7S	873.3381	NA	PeJP	NA	NA
+PJ061420	SSSSSSTTM 	C31H55N9O18S	873.3386	NA	PeJP	NA	NA
+PJ061421	SSPEEYY 	C39H51N7O16	873.3392	NA	PeJP	NA	NA
+PJ061422	AAEEEYY 	C39H51N7O16	873.3393	NA	PeJP	NA	NA
+PJ061423	SSSTCKMM 	C32H59N9O13S3	873.3395	NA	PeJP	NA	NA
+PJ061424	GSSNNQMH 	C32H51N13O14S	873.3399	NA	PeJP	NA	NA
+PJ061425	SNDDMHR 	C32H51N13O14S	873.34	NA	PeJP	NA	NA
+PJ061426	PPTCMYY 	C40H55N7O11S2	873.3401	NA	PeJP	NA	NA
+PJ061427	CCKKMMM 	C33H63N9O8S5	873.3403	NA	PeJP	NA	NA
+PJ061428	GSSDHWW 	C40H47N11O12	873.3406	NA	PeJP	NA	NA
+PJ061429	ACCCRRY 	C33H55N13O9S3	873.3408	NA	PeJP	NA	NA
+PJ061430	TTTEEMY 	C36H55N7O16S	873.3426	NA	PeJP	NA	NA
+PJ061431	GLEMMMY 	C37H59N7O11S3	873.3435	NA	PeJP	NA	NA
+PJ061432	GSQEMHW 	C37H51N11O12S	873.344	NA	PeJP	NA	NA
+PJ061433	GCHHHHF 	C38H47N15O8S	873.3453	NA	PeJP	NA	NA
+PJ061434	PNDDEER 	C33H51N11O17	873.3465	NA	PeJP	NA	NA
+PJ061435	SSCQMRY 	C34H55N11O12S2	873.3473	NA	PeJP	NA	NA
+PJ061436	GAAQEMMH 	C34H55N11O12S2	873.3474	NA	PeJP	NA	NA
+PJ061437	SNNEHHH 	C34H47N15O13	873.3478	NA	PeJP	NA	NA
+PJ061438	GPPCEWW 	C42H51N9O10S	873.348	NA	PeJP	NA	NA
+PJ061439	GSSSSTYW 	C38H51N9O15	873.3505	NA	PeJP	NA	NA
+PJ061440	GSSCNNHR 	C31H51N15O13S	873.3512	NA	PeJP	NA	NA
+PJ061441	GSCKMYW 	C39H55N9O10S2	873.3514	NA	PeJP	NA	NA
+PJ061442	EEHHHW 	C39H47N13O11	873.3518	NA	PeJP	NA	NA
+PJ061443	PCCCHRR 	C32H55N15O8S3	873.3521	NA	PeJP	NA	NA
+PJ061444	GSSSDKMY 	C35H55N9O15S	873.3539	NA	PeJP	NA	NA
+PJ061445	VDEYYW 	C43H51N7O13	873.3545	NA	PeJP	NA	NA
+PJ061446	GNKMMMY 	C36H59N9O10S3	873.3547	NA	PeJP	NA	NA
+PJ061447	GGGPPPMMM 	C36H59N9O10S3	873.3548	NA	PeJP	NA	NA
+PJ061448	GSCEHRW 	C36H51N13O11S	873.3552	NA	PeJP	NA	NA
+PJ061449	PMMFYW 	C44H55N7O8S2	873.3554	NA	PeJP	NA	NA
+PJ061450	GSSSDEHR 	C32H51N13O16	873.3577	NA	PeJP	NA	NA
+PJ061451	GGGGGGGGGGGVE 	C32H51N13O16	873.3578	NA	PeJP	NA	NA
+PJ061452	APTEMYY 	C40H55N7O13S	873.3579	NA	PeJP	NA	NA
+PJ061453	SSCCRRY 	C33H55N13O11S2	873.3586	NA	PeJP	NA	NA
+PJ061454	LMMMYW 	C41H59N7O8S3	873.3588	NA	PeJP	NA	NA
+PJ061455	SQMHWW 	C41H51N11O9S	873.3592	NA	PeJP	NA	NA
+PJ061456	PLEEEEE 	C36H55N7O18	873.3604	NA	PeJP	NA	NA
+PJ061457	STLEMMY 	C37H59N7O13S2	873.3613	NA	PeJP	NA	NA
+PJ061458	GPDDERW 	C37H51N11O14	873.3617	NA	PeJP	NA	NA
+PJ061459	GGGGGGPTEW 	C37H51N11O14	873.3618	NA	PeJP	NA	NA
+PJ061460	ALMMMMF 	C38H63N7O8S4	873.3621	NA	PeJP	NA	NA
+PJ061461	AAQMMHW 	C38H55N11O9S2	873.3626	NA	PeJP	NA	NA
+PJ061462	GSNHHHW 	C38H47N15O10	873.3631	NA	PeJP	NA	NA
+PJ061463	PPCWWW 	C46H51N9O7S	873.3633	NA	PeJP	NA	NA
+PJ061464	GSSSSMRY 	C34H55N11O14S	873.3651	NA	PeJP	NA	NA
+PJ061465	SQQYYW 	C42H51N9O12	873.3657	NA	PeJP	NA	NA
+MJ096692	Lyciumin; Lyciumin A 	C42H51N9O12	873.365718	NA	MeJP	NA	NA
+PJ061466	PQEEWW 	C42H51N9O12	873.3658	NA	PeJP	NA	NA
+PJ061467	ACCKMRY 	C35H59N11O9S3	873.366	NA	PeJP	NA	NA
+PJ061468	GQQMHHH 	C35H51N15O10S	873.3664	NA	PeJP	NA	NA
+PJ061469	GGAQMHHH 	C35H51N15O10S	873.3665	NA	PeJP	NA	NA
+PJ061470	NNNNNER 	C31H51N15O15	873.3689	NA	PeJP	NA	NA
+PJ061471	GGGGNNNER 	C31H51N15O15	873.369	NA	PeJP	NA	NA
+PJ061472	SSTCKYW 	C39H55N9O12S	873.3691	NA	PeJP	NA	NA
+PJ061473	PDFFYW 	C47H51N7O10	873.3698	NA	PeJP	NA	NA
+PJ061474	SCHRWW 	C40H51N13O8S	873.3705	NA	PeJP	NA	NA
+PJ061475	SSSSSKEY 	C35H55N9O17	873.3716	NA	PeJP	NA	NA
+PJ061476	SSQKMMY 	C36H59N9O12S2	873.3725	NA	PeJP	NA	NA
+PJ061477	SSSDHRW 	C36H51N13O13	873.373	NA	PeJP	NA	NA
+PJ061478	VEMFYW 	C44H55N7O10S	873.3731	NA	PeJP	NA	NA
+PJ061479	GPEMFFF 	C44H55N7O10S	873.3732	NA	PeJP	NA	NA
+PJ061480	NMMHRW 	C37H55N13O8S2	873.3738	NA	PeJP	NA	NA
+PJ061481	GTLEEYY 	C40H55N7O15	873.3756	NA	PeJP	NA	NA
+PJ061482	SSQEMHR 	C33H55N13O13S	873.3763	NA	PeJP	NA	NA
+PJ061483	GGGGPNEMR 	C33H55N13O13S	873.3764	NA	PeJP	NA	NA
+PJ061484	GPLMMYY 	C41H59N7O10S2	873.3765	NA	PeJP	NA	NA
+PJ061485	PDDRWW 	C41H51N11O11	873.377	NA	PeJP	NA	NA
+PJ061486	PCCKMHR 	C34H59N13O8S3	873.3772	NA	PeJP	NA	NA
+PJ061487	GCQHHHR 	C34H51N17O9S	873.3777	NA	PeJP	NA	NA
+PJ061488	SVLMMMY 	C38H63N7O10S3	873.3799	NA	PeJP	NA	NA
+PJ061489	NQMRYY 	C38H55N11O11S	873.3803	NA	PeJP	NA	NA
+PJ061490	SPPCERW 	C38H55N11O11S	873.3804	NA	PeJP	NA	NA
+PJ061491	APEWWW 	C46H51N9O9	873.381	NA	PeJP	NA	NA
+PJ061492	SSSSSTRY 	C34H55N11O16	873.3828	NA	PeJP	NA	NA
+PJ061493	SPQEEER 	C34H55N11O16	873.3829	NA	PeJP	NA	NA
+PJ061494	SSCKMRY 	C35H59N11O11S2	873.3837	NA	PeJP	NA	NA
+PJ061495	GGGGAPPCKM 	C35H59N11O11S2	873.3838	NA	PeJP	NA	NA
+PJ061496	GNNNNRW 	C35H51N15O12	873.3842	NA	PeJP	NA	NA
+PJ061497	GPPTMWW 	C43H55N9O9S	873.3844	NA	PeJP	NA	NA
+PJ061498	GPKEEEW 	C39H55N9O14	873.3869	NA	PeJP	NA	NA
+PJ061499	SSCEHRR 	C32H55N15O12S	873.3876	NA	PeJP	NA	NA
+PJ061500	ACQKMFF 	C40H59N9O9S2	873.3877	NA	PeJP	NA	NA
+PJ061501	PPVNMMW 	C40H59N9O9S2	873.3878	NA	PeJP	NA	NA
+PJ061502	NDHFRW 	C40H51N13O10	873.3882	NA	PeJP	NA	NA
+PJ061503	PMFFFW 	C48H55N7O7S	873.3884	NA	PeJP	NA	NA
+PJ061504	GSSTTKMY 	C36H59N9O14S	873.3902	NA	PeJP	NA	NA
+PJ061505	GSPPKEEM 	C36H59N9O14S	873.3903	NA	PeJP	NA	NA
+PJ061506	TLEYYW 	C44H55N7O12	873.3909	NA	PeJP	NA	NA
+PJ061507	ACKKMMY 	C37H63N9O9S3	873.3911	NA	PeJP	NA	NA
+PJ061508	GSTMHRW 	C37H55N13O10S	873.3916	NA	PeJP	NA	NA
+PJ061509	LMMFFW 	C45H59N7O7S2	873.3918	NA	PeJP	NA	NA
+PJ061510	AQHFWW 	C45H51N11O8	873.3922	NA	PeJP	NA	NA
+PJ061511	GAAHFWW 	C45H51N11O8	873.3923	NA	PeJP	NA	NA
+PJ061512	SPDDERR 	C33H55N13O15	873.3941	NA	PeJP	NA	NA
+PJ061513	GVLEMYY 	C41H59N7O12S	873.3943	NA	PeJP	NA	NA
+MJ096693	Pepticinnamin; Pepticinnamin D 	C49H55N5O10	873.394893	NA	MeJP	NA	NA
+PJ061514	PPCDMRR 	C34H59N13O10S2	873.395	NA	PeJP	NA	NA
+PJ061515	SSNHHHR 	C34H51N17O11	873.3954	NA	PeJP	NA	NA
+PJ061516	SKMHWW 	C42H55N11O8S	873.3956	NA	PeJP	NA	NA
+PJ061517	GPTEERW 	C38H55N11O13	873.3981	NA	PeJP	NA	NA
+PJ061518	GPPMMRW 	C39H59N11O8S2	873.399	NA	PeJP	NA	NA
+PJ061519	PVNEEMR 	C35H59N11O13S	873.4015	NA	PeJP	NA	NA
+PJ061520	PKEEWW 	C43H55N9O11	873.4021	NA	PeJP	NA	NA
+PJ061521	GAAPPEFW 	C43H55N9O11	873.4022	NA	PeJP	NA	NA
+PJ061522	PCKKMMH 	C36H63N11O8S3	873.4024	NA	PeJP	NA	NA
+PJ061523	PPCQHHR 	C36H55N15O9S	873.4028	NA	PeJP	NA	NA
+PJ061524	GNNEERR 	C32H55N15O14	873.4053	NA	PeJP	NA	NA
+PJ061525	GGGGGGNDKR 	C32H55N15O14	873.4054	NA	PeJP	NA	NA
+PJ061526	SPPKEMW 	C40H59N9O11S	873.4055	NA	PeJP	NA	NA
+PJ061527	PVFYYW 	C48H55N7O9	873.4062	NA	PeJP	NA	NA
+PJ061528	MHHFFR 	C41H55N13O7S	873.4069	NA	PeJP	NA	NA
+PJ061529	SSSTTTKY 	C36H59N9O16	873.408	NA	PeJP	NA	NA
+PJ061530	SSKKMMY 	C37H63N9O11S2	873.4089	NA	PeJP	NA	NA
+PJ061531	SSTTHRW 	C37H55N13O12	873.4093	NA	PeJP	NA	NA
+PJ061532	GGAAQERW 	C37H55N13O12	873.4094	NA	PeJP	NA	NA
+PJ061533	VLMYYW 	C45H59N7O9S	873.4095	NA	PeJP	NA	NA
+PJ061534	GLHHHHH 	C38H51N17O8	873.4107	NA	PeJP	NA	NA
+PJ061535	SSLLEYY 	C41H59N7O14	873.412	NA	PeJP	NA	NA
+PJ061536	GPEEMRR 	C34H59N13O12S	873.4127	NA	PeJP	NA	NA
+PJ061537	GGGGGGGPCKK 	C34H59N13O12S	873.4128	NA	PeJP	NA	NA
+PJ061538	GLLMMFY 	C42H63N7O9S2	873.4129	NA	PeJP	NA	NA
+PJ061539	PTERWW 	C42H55N11O10	873.4134	NA	PeJP	NA	NA
+PJ061540	GCKHHHR 	C35H55N17O8S	873.4141	NA	PeJP	NA	NA
+PJ061541	SNNNNRR 	C31H55N17O13	873.4166	NA	PeJP	NA	NA
+PJ061542	APVDMRW 	C39H59N11O10S	873.4167	NA	PeJP	NA	NA
+PJ061543	GPVEMRW 	C39H59N11O10S	873.4168	NA	PeJP	NA	NA
+PJ061544	SPLWWW 	C47H55N9O8	873.4174	NA	PeJP	NA	NA
+PJ061545	ALQEEER 	C35H59N11O15	873.4192	NA	PeJP	NA	NA
+PJ061546	SPKEEER 	C35H59N11O15	873.4193	NA	PeJP	NA	NA
+PJ061547	PPDKMMR 	C36H63N11O10S2	873.4201	NA	PeJP	NA	NA
+PJ061548	NNERRW 	C36H55N15O11	873.4206	NA	PeJP	NA	NA
+PJ061549	AAPLMWW 	C44H59N9O8S	873.4208	NA	PeJP	NA	NA
+PJ061550	SPVKEEW 	C40H59N9O13	873.4233	NA	PeJP	NA	NA
+PJ061551	SSTMHRR 	C33H59N15O11S	873.4239	NA	PeJP	NA	NA
+PJ061552	GGSPNMRR 	C33H59N15O11S	873.424	NA	PeJP	NA	NA
+PJ061553	PPCLKMW 	C41H63N9O8S2	873.4241	NA	PeJP	NA	NA
+PJ061554	AQQRWW 	C41H55N13O9	873.4246	NA	PeJP	NA	NA
+7802	ACE inhibitor from as2-casein	NMAINPSK	873.4252	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ061555	PLQKEEM 	C37H63N9O13S	873.4266	NA	PeJP	NA	NA
+PJ061556	GAPLKEEM 	C37H63N9O13S	873.4267	NA	PeJP	NA	NA
+PJ061557	GPVLYYY 	C45H59N7O11	873.4273	NA	PeJP	NA	NA
+PJ061558	VLLMMMH 	C38H67N9O8S3	873.4275	NA	PeJP	NA	NA
+PJ061559	PEMRRW 	C38H59N13O9S	873.428	NA	PeJP	NA	NA
+PJ061560	AKHFWW 	C46H55N11O7	873.4286	NA	PeJP	NA	NA
+PJ061561	GVEEERR 	C34H59N13O14	873.4305	NA	PeJP	NA	NA
+PJ061562	ATLLMYY 	C42H63N7O11S	873.4306	NA	PeJP	NA	NA
+PJ061563	VVVTMYY 	C42H63N7O11S	873.4307	NA	PeJP	NA	NA
+PJ061564	SPPMMRR 	C35H63N13O9S2	873.4313	NA	PeJP	NA	NA
+PJ061565	GACCKKKH 	C35H63N13O9S2	873.4314	NA	PeJP	NA	NA
+PJ061566	GPDHHRR 	C35H55N17O10	873.4318	NA	PeJP	NA	NA
+PJ061567	PVMRWW 	C43H59N11O7S	873.432	NA	PeJP	NA	NA
+PJ061568	LLLEEEE 	C38H63N7O16	873.4332	NA	PeJP	NA	NA
+PJ061569	AALEERW 	C39H59N11O12	873.4345	NA	PeJP	NA	NA
+PJ061570	GNRRWW 	C40H55N15O8	873.4358	NA	PeJP	NA	NA
+PJ061571	GGGRRWW 	C40H55N15O8	873.4359	NA	PeJP	NA	NA
+PJ061572	PVDKEMR 	C36H63N11O12S	873.4379	NA	PeJP	NA	NA
+PJ061573	LLQEWW 	C44H59N9O10	873.4385	NA	PeJP	NA	NA
+PJ061574	QMHFRR 	C37H59N15O8S	873.4392	NA	PeJP	NA	NA
+PJ061575	EEERRR 	C33H59N15O13	873.4417	NA	PeJP	NA	NA
+PJ061576	APLKEMW 	C41H63N9O10S	873.4419	NA	PeJP	NA	NA
+PJ061577	VLFFYW 	C49H59N7O8	873.4425	NA	PeJP	NA	NA
+PJ061578	GPLFFFF 	C49H59N7O8	873.4426	NA	PeJP	NA	NA
+PJ061579	VLQKEEE 	C37H63N9O15	873.4444	NA	PeJP	NA	NA
+PJ061580	GPPTLKMM 	C38H67N9O10S2	873.4453	NA	PeJP	NA	NA
+PJ061581	VEERRW 	C38H59N13O11	873.4457	NA	PeJP	NA	NA
+PJ061582	GGAAKERW 	C38H59N13O11	873.4458	NA	PeJP	NA	NA
+PJ061583	GLLMFFF 	C46H63N7O8S	873.4459	NA	PeJP	NA	NA
+PJ061584	TTTLLYY 	C42H63N7O13	873.4484	NA	PeJP	NA	NA
+PJ061585	SPVEMRR 	C35H63N13O11S	873.4491	NA	PeJP	NA	NA
+PJ061586	VVERWW 	C43H59N11O9	873.4498	NA	PeJP	NA	NA
+PJ061587	CHFRRR 	C36H59N17O7S	873.4505	NA	PeJP	NA	NA
+PJ061588	GSNERRR 	C32H59N17O12	873.453	NA	PeJP	NA	NA
+PJ061589	APTLMRW 	C40H63N11O9S	873.4531	NA	PeJP	NA	NA
+PJ061590	ALLWWW 	C48H59N9O7	873.4538	NA	PeJP	NA	NA
+PJ061591	ALKEEER 	C36H63N11O14	873.4556	NA	PeJP	NA	NA
+PJ061592	GGGALDKKE 	C36H63N11O14	873.4557	NA	PeJP	NA	NA
+PJ061593	PVLQMMR 	C37H67N11O9S2	873.4565	NA	PeJP	NA	NA
+PJ061594	NDKRRW 	C37H59N15O10	873.457	NA	PeJP	NA	NA
+PJ061595	PTTLKEW 	C41H63N9O12	873.4596	NA	PeJP	NA	NA
+PJ061596	GLLKEEW 	C41H63N9O12	873.4597	NA	PeJP	NA	NA
+PJ061597	GVQQMRR 	C34H63N15O10S	873.4603	NA	PeJP	NA	NA
+PJ061598	GGGLQMRR 	C34H63N15O10S	873.4604	NA	PeJP	NA	NA
+PJ061599	AQKRWW 	C42H59N13O8	873.461	NA	PeJP	NA	NA
+PJ061600	PLKKEEM 	C38H67N9O12S	873.463	NA	PeJP	NA	NA
+PJ061601	GVLLFYY 	C46H63N7O10	873.4637	NA	PeJP	NA	NA
+PJ061602	GPCKKRW 	C39H63N13O8S	873.4644	NA	PeJP	NA	NA
+PJ061603	ATLEERR 	C35H63N13O13	873.4669	NA	PeJP	NA	NA
+PJ061604	APLMMRR 	C36H67N13O8S2	873.4677	NA	PeJP	NA	NA
+PJ061605	SNRRRW 	C36H59N17O9	873.4682	NA	PeJP	NA	NA
+PJ061606	GTLLERW 	C40H63N11O11	873.4709	NA	PeJP	NA	NA
+PJ061607	QQMRRR 	C33H63N17O9S	873.4716	NA	PeJP	NA	NA
+MJ096694	Ancorinoside D 	C43H71NO17	873.472199	NA	MeJP	NA	NA
+MJ096695	Tertiomycin B 	C43H71NO17	873.472199	NA	MeJP	NA	NA
+PJ061608	PTLKEMR 	C37H67N11O11S	873.4743	NA	PeJP	NA	NA
+PJ061609	LLKEWW 	C45H63N9O9	873.4749	NA	PeJP	NA	NA
+PJ061610	KMHFRR 	C38H63N15O7S	873.4756	NA	PeJP	NA	NA
+PJ061611	GTQKERR 	C34H63N15O12	873.4781	NA	PeJP	NA	NA
+PJ061612	SPLLKMW 	C42H67N9O9S	873.4783	NA	PeJP	NA	NA
+PJ061613	VLKKEEE 	C38H67N9O14	873.4808	NA	PeJP	NA	NA
+PJ061614	AAPLLKMM 	C39H71N9O9S2	873.4817	NA	PeJP	NA	NA
+PJ061615	QKKERW 	C39H63N13O10	873.4821	NA	PeJP	NA	NA
+PJ061616	CQRRRR 	C32H63N19O8S	873.4828	NA	PeJP	NA	NA
+PJ061617	GLLEMRR 	C36H67N13O10S	873.4855	NA	PeJP	NA	NA
+PJ061618	TLLRWW 	C44H63N11O8	873.4861	NA	PeJP	NA	NA
+PJ061619	GGLKKWW 	C44H63N11O8	873.4862	NA	PeJP	NA	NA
+PJ061620	GSDKRRR 	C33H63N17O11	873.4893	NA	PeJP	NA	NA
+PJ061621	GVLLMRW 	C41H67N11O8S	873.4895	NA	PeJP	NA	NA
+PJ061622	SLLKEER 	C37H67N11O13	873.492	NA	PeJP	NA	NA
+PJ061623	PVLKMMR 	C38H71N11O8S2	873.4929	NA	PeJP	NA	NA
+PJ061624	TQKRRW 	C38H63N15O9	873.4934	NA	PeJP	NA	NA
+PJ061625	SVLLKEW 	C42H67N9O11	873.496	NA	PeJP	NA	NA
+PJ061626	GGAAPLLLY 	C42H67N9O11	873.4961	NA	PeJP	NA	NA
+PJ061627	GVQKMRR 	C35H67N15O9S	873.4967	NA	PeJP	NA	NA
+PJ061628	AKKRWW 	C43H63N13O7	873.4974	NA	PeJP	NA	NA
+PJ061629	LLLQKEM 	C39H71N9O11S	873.4994	NA	PeJP	NA	NA
+PJ061630	GSSRRRR 	C32H63N19O10	873.5006	NA	PeJP	NA	NA
+PJ061631	LLMRRW 	C40H67N13O7S	873.5008	NA	PeJP	NA	NA
+PJ061632	VTTLERR 	C36H67N13O12	873.5032	NA	PeJP	NA	NA
+PJ061633	STLLERR 	C36H67N13O12	873.5033	NA	PeJP	NA	NA
+PJ061634	GVLHHRR 	C37H63N17O8	873.5046	NA	PeJP	NA	NA
+PJ061635	SSLLLRW 	C41H67N11O10	873.5073	NA	PeJP	NA	NA
+PJ061636	QKMRRR 	C34H67N17O8S	873.508	NA	PeJP	NA	NA
+5522	Protegrin 1	RGGRLCYCRRRFCVCVGR	873.51	MH2+	Inhouse_peptide	NA	peptide
+PJ061637	TLLLQMR 	C38H71N11O10S	873.5106	NA	PeJP	NA	NA
+PJ061638	VVLKEMR 	C38H71N11O10S	873.5107	NA	PeJP	NA	NA
+PJ061639	APLLKFW 	C46H67N9O8	873.5113	NA	PeJP	NA	NA
+PJ061640	GTKKERR 	C35H67N15O11	873.5145	NA	PeJP	NA	NA
+PJ061641	ALLLKMW 	C43H71N9O8S	873.5147	NA	PeJP	NA	NA
+PJ061642	LHHRRR 	C36H63N19O7	873.5158	NA	PeJP	NA	NA
+PJ061643	GTTLLLKE 	C39H71N9O13	873.5172	NA	PeJP	NA	NA
+PJ061644	KKKERW 	C40H67N13O9	873.5185	NA	PeJP	NA	NA
+PJ061645	CKRRRR 	C33H67N19O7S	873.5192	NA	PeJP	NA	NA
+MJ096696	Acuminatum; Acuminatum C 	C44H71N7O11	873.521156	NA	MeJP	NA	NA
+PJ061646	SVLLMRR 	C37H71N13O9S	873.5219	NA	PeJP	NA	NA
+PJ061647	VKKKWW 	C45H67N11O7	873.5225	NA	PeJP	NA	NA
+PJ061648	GTTKRRR 	C34H67N17O10	873.5257	NA	PeJP	NA	NA
+PJ061649	GTTTLLLR 	C38H71N11O12	873.5284	NA	PeJP	NA	NA
+PJ061650	TKKRRW 	C39H67N15O8	873.5297	NA	PeJP	NA	NA
+PJ061651	PPVLHRR 	C39H67N15O8	873.5298	NA	PeJP	NA	NA
+PJ061652	TTLLLKW 	C43H71N9O10	873.5324	NA	PeJP	NA	NA
+PJ061653	GVKKMRR 	C36H71N15O8S	873.5331	NA	PeJP	NA	NA
+PJ061654	LLLKKEM 	C40H75N9O10S	873.5358	NA	PeJP	NA	NA
+PJ061655	SVKKKER 	C37H71N13O11	873.5396	NA	PeJP	NA	NA
+PJ061656	GGGATKKKK 	C37H71N13O11	873.5397	NA	PeJP	NA	NA
+PJ061657	ATLKKKW 	C42H71N11O9	873.5437	NA	PeJP	NA	NA
+PJ061658	KKMRRR 	C35H71N17O7S	873.5444	NA	PeJP	NA	NA
+PJ061659	TLLLKMR 	C39H75N11O9S	873.547	NA	PeJP	NA	NA
+PJ061660	SSLKKRR 	C36H71N15O10	873.5509	NA	PeJP	NA	NA
+PJ061661	SSTLLLLK 	C40H75N9O12	873.5535	NA	PeJP	NA	NA
+PJ061662	SSTILLLK 	C40H75N9O12	873.5536	NA	PeJP	NA	NA
+PJ061663	GLLLFRR 	C41H71N13O8	873.5549	NA	PeJP	NA	NA
+PJ061664	ALKKKMR 	C38H75N13O8S	873.5583	NA	PeJP	NA	NA
+PJ061665	TLKKKKE 	C39H75N11O11	873.5648	NA	PeJP	NA	NA
+PJ061666	PLLLKKY 	C44H75N9O9	873.5688	NA	PeJP	NA	NA
+PJ061667	TTLKKKR 	C38H75N13O10	873.576	NA	PeJP	NA	NA
+PJ061668	VVLLKFR 	C43H75N11O8	873.58	NA	PeJP	NA	NA
+PJ061669	PVKKKKF 	C43H75N11O8	873.5801	NA	PeJP	NA	NA
+PJ061670	VLKKKKM 	C40H79N11O8S	873.5834	NA	PeJP	NA	NA
+PJ061671	LLLLKKF 	C45H79N9O8	873.6052	NA	PeJP	NA	NA
+PJ061672	SKKKKKK 	C39H79N13O9	873.6124	NA	PeJP	NA	NA
+HMDB09707	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	C51H88NO8P	873.624756	NA	HMDB2010	NA	NA
+HMDB09771	PE(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C51H88NO8P	873.624756	NA	HMDB2010	NA	NA
+EUR988	PC 38:2 [M-H+acetate]-	C46H88NO8P	873.645857	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR988	PC 38:2 [M-H+acetate]-	C46H88NO8P	873.645857	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR988	PC 38:2 [M-H+acetate]-	C46H88NO8P	873.645857	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR988	PC 38:2 [M-H+acetate]-	C46H88NO8P	873.645857	masses lipides attendues	Inhousejuil11	NA	NA
+EUR1123	SM(d18:1/24:1) [M-H+acetate]-	C47H94N2O6P	873.706051	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1123	SM(d18:1/24:1) [M-H+acetate]-	C47H94N2O6P	873.706051	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1123	SM(d18:1/24:1) [M-H+acetate]-	C47H94N2O6P	873.706051	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1123	SM(d18:1/24:1) [M-H+acetate]-	C47H94N2O6P	873.706051	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08058	PC(18:0/24:0)	C50H100NO8P	873.718628	NA	HMDB2010	NA	NA
+HMDB08282	PC(20:0/22:0)	C50H100NO8P	873.718628	NA	HMDB2010	NA	NA
+HMDB08537	PC(22:0/20:0)	C50H100NO8P	873.718628	NA	HMDB2010	NA	NA
+HMDB08760	PC(24:0/18:0)	C50H100NO8P	873.718628	NA	HMDB2010	NA	NA
+MJ096697	2-Amino-16-methyl-1,3,4-octadecanetriol, N-(2R-Hydroxypentacosanoyl), 1-O-?-D-galactopyranoside 	C50H99NO10	873.726898	NA	MeJP	NA	NA
+FL1DA9GS0001	Thonningianin A	C42H34O21	874.15925	271579-11-4	knapsack	NA	NA
+MJ096698	Thonningianin B; 3''-O-(3,4,5-Trihydroxybenzoyl) 	C42H34O21	874.159258	NA	MeJP	NA	NA
+PJ061673	TCCCCCCH 	C28H46N10O10S6	874.1723	NA	PeJP	NA	NA
+PJ061674	SCCCDDDD 	C28H42N8O18S3	874.178	NA	PeJP	NA	NA
+PJ061675	PCCCCCDE 	C29H46N8O13S5	874.1788	NA	PeJP	NA	NA
+FL5FACGS0109	Quercetin 3-(2''-caffeoylglucoside)-(1->2)-(6''-malonylglucoside);3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C39H38O23	874.18038	219745-03-6	knapsack	NA	NA
+MJ096699	Isoquercitrin; 6''-O-Malonyl, 2''-[3,4-dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl] 	C39H38O23	874.180387	NA	MeJP	NA	NA
+MJ096700	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C39H39O23(+)	874.180387	NA	MeJP	NA	NA
+PJ061676	GCCCDDEM 	C29H46N8O15S4	874.1966	NA	PeJP	NA	NA
+MJ096701	Ternatin C5 	C36H43O25(+)	874.201516	NA	MeJP	NA	NA
+PJ061677	GCCCCCHF 	C32H46N10O9S5	874.2053	NA	PeJP	NA	NA
+PJ061678	SCCCCNNE 	C28H46N10O14S4	874.2078	NA	PeJP	NA	NA
+MJ096702	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid, 3C,3'C,3''C-Trideoxy 	C47H38O17	874.210899	NA	MeJP	NA	NA
+PJ061679	CCCDDMW 	C33H46N8O12S4	874.2118	NA	PeJP	NA	NA
+PJ061680	SSCCDDDM 	C29H46N8O17S3	874.2143	NA	PeJP	NA	NA
+PJ061681	SPCCCCEM 	C30H50N8O12S5	874.2152	NA	PeJP	NA	NA
+PJ061682	GSCCCCNW 	C32H46N10O11S4	874.2231	NA	PeJP	NA	NA
+PJ061683	GSSSCCCND 	C28H46N10O16S3	874.2256	NA	PeJP	NA	NA
+PJ061684	GCCCNNMM 	C29H50N10O11S5	874.2264	NA	PeJP	NA	NA
+PJ061685	GGGCCCNMM 	C29H50N10O11S5	874.2265	NA	PeJP	NA	NA
+MJ096703	Betanidin; 6-O-[?-D-Glucopyranosyl-(1?2)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside] 	C39H42N2O21	874.228006	NA	MeJP	NA	NA
+PJ061686	GPCCCDDY 	C33H46N8O14S3	874.2296	NA	PeJP	NA	NA
+PJ061687	PPCCCCCF 	C34H50N8O9S5	874.2305	NA	PeJP	NA	NA
+PJ061688	GSCCDEMM 	C30H50N8O14S4	874.233	NA	PeJP	NA	NA
+PJ061689	GPCCCMMM 	C31H54N8O9S6	874.2338	NA	PeJP	NA	NA
+PJ061690	GCCCCCQR 	C28H50N12O10S5	874.2377	NA	PeJP	NA	NA
+FL5FACGS0085	Helieianeoside C;Quercetin 3-xylosyl-(1->4)-[xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside];2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->4)]-6-deoxy-alpha-L-mannopyranosyl)oxy]-4H-1-benzopyran-4-one	C37H46O24	874.2379	496066-90-1	knapsack	NA	NA
+FL5FACGS0086	Quercetin 3-xylosyl-(1->3)-rhanosyl-(1->6)-[apiosyl-(1->2)-galactoside];2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-beta-D-xylopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[D-apio-beta-D-furanosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one	C37H46O24	874.2379	416846-52-1	knapsack	NA	NA
+PJ061691	GCCCNNDF 	C32H46N10O13S3	874.2408	NA	PeJP	NA	NA
+PJ061692	GGGGGCCCDF 	C32H46N10O13S3	874.2409	NA	PeJP	NA	NA
+PJ061693	SSCCCNQM 	C29H50N10O13S4	874.2442	NA	PeJP	NA	NA
+PJ061694	CCNDEEY 	C33H46N8O16S2	874.2473	NA	PeJP	NA	NA
+PJ061695	CNDDDMY 	C33H46N8O16S2	874.2474	NA	PeJP	NA	NA
+PJ061696	SCCDMMW 	C34H50N8O11S4	874.2482	NA	PeJP	NA	NA
+PJ061697	SSSCDDMM 	C30H50N8O16S3	874.2507	NA	PeJP	NA	NA
+PJ061698	CNDMMMM 	C31H54N8O11S5	874.2516	NA	PeJP	NA	NA
+PJ061699	GSCCCEHH 	C31H46N12O12S3	874.2521	NA	PeJP	NA	NA
+MJ096704	5,7-Dihydroxy-4',6-dimethoxyflavone; 7-O-[2,3,4-Tri-O-acetyl-?-L-rhamnopyranosyl-(1?6)-2,3,4-tri-O-acetyl-?-D-glucopyranoside] 	C41H46O21	874.253158	NA	MeJP	NA	NA
+PJ061700	SSCCCCNR 	C28H50N12O12S4	874.2554	NA	PeJP	NA	NA
+PJ061701	GSDDDDDH 	C31H42N10O20	874.2577	NA	PeJP	NA	NA
+PJ061702	GSCCNNDY 	C32H46N10O15S2	874.2586	NA	PeJP	NA	NA
+PJ061703	GSSSSCCNM 	C29H50N10O15S3	874.262	NA	PeJP	NA	NA
+PJ061704	GCCDEYW 	C37H46N8O13S2	874.2626	NA	PeJP	NA	NA
+PJ061705	CCCEMMR 	C30H54N10O10S5	874.2628	NA	PeJP	NA	NA
+PJ061706	GSSCDDEY 	C33H46N8O18S	874.2651	NA	PeJP	NA	NA
+PJ061707	GSPCCDMY 	C34H50N8O13S3	874.266	NA	PeJP	NA	NA
+PJ061708	ACCMMMW 	C35H54N8O8S5	874.2668	NA	PeJP	NA	NA
+PJ061709	VCCCMMW 	C35H54N8O8S5	874.2669	NA	PeJP	NA	NA
+PJ061710	SCCCHHW 	C35H46N12O9S3	874.2673	NA	PeJP	NA	NA
+PJ061711	GSSCEMMM 	C31H54N8O13S4	874.2694	NA	PeJP	NA	NA
+PJ061712	SSSCCDHH 	C31H46N12O14S2	874.2698	NA	PeJP	NA	NA
+PJ061713	CCNMMHH 	C32H50N12O9S4	874.2707	NA	PeJP	NA	NA
+PJ061714	PCCDDHW 	C36H46N10O12S2	874.2739	NA	PeJP	NA	NA
+PJ061715	GCCCCCKR 	C29H54N12O9S5	874.2741	NA	PeJP	NA	NA
+PJ061716	DDDDQMH 	C32H46N10O17S	874.2763	NA	PeJP	NA	NA
+PJ061717	NDDDEMH 	C32H46N10O17S	874.2764	NA	PeJP	NA	NA
+PJ061718	CCNNQMY 	C33H50N10O12S3	874.2772	NA	PeJP	NA	NA
+PJ061719	CCDYWW 	C41H46N8O10S2	874.2779	NA	PeJP	NA	NA
+PJ061720	SSSSSSCCQ 	C29H50N10O17S2	874.2797	NA	PeJP	NA	NA
+PJ061721	SSCDDYW 	C37H46N8O15S	874.2804	NA	PeJP	NA	NA
+PJ061722	SSCCCNKM 	C30H54N10O12S4	874.2806	NA	PeJP	NA	NA
+PJ061723	GCCNNNNH 	C30H46N14O13S2	874.2811	NA	PeJP	NA	NA
+PJ061724	PTCCCYW 	C38H50N8O10S3	874.2812	NA	PeJP	NA	NA
+PJ061725	SSSSDDDY 	C33H46N8O20	874.2829	NA	PeJP	NA	NA
+PJ061726	SNDDMMY 	C34H50N8O15S2	874.2837	NA	PeJP	NA	NA
+PJ061727	PPPCCDDE 	C34H50N8O15S2	874.2838	NA	PeJP	NA	NA
+PJ061728	SSCMMMW 	C35H54N8O10S4	874.2846	NA	PeJP	NA	NA
+PJ061729	CCNDHHF 	C35H46N12O11S2	874.2851	NA	PeJP	NA	NA
+PJ061730	SSSSDMMM 	C31H54N8O15S3	874.2871	NA	PeJP	NA	NA
+PJ061731	CDDDDHR 	C31H46N12O16S	874.2876	NA	PeJP	NA	NA
+PJ061732	SNMMMMM 	C32H58N8O10S5	874.288	NA	PeJP	NA	NA
+PJ061733	CCCNNRY 	C32H50N12O11S3	874.2884	NA	PeJP	NA	NA
+PJ061734	GGCCCNRY 	C32H50N12O11S3	874.2885	NA	PeJP	NA	NA
+PJ061735	GDDDMHW 	C36H46N10O14S	874.2916	NA	PeJP	NA	NA
+PJ061736	GSSDDEEH 	C32H46N10O19	874.2941	NA	PeJP	NA	NA
+PJ061737	SCCDERY 	C33H50N10O14S2	874.295	NA	PeJP	NA	NA
+PJ061738	PCCCMRY 	C34H54N10O9S4	874.2958	NA	PeJP	NA	NA
+PJ061739	GPPCCMMH 	C34H54N10O9S4	874.2959	NA	PeJP	NA	NA
+PJ061740	CCMFWW 	C42H50N8O7S3	874.2965	NA	PeJP	NA	NA
+PJ061741	GSSSSSSSSC 	C29H50N10O19S	874.2975	NA	PeJP	NA	NA
+PJ061742	GNDDEYY 	C37H46N8O17	874.2981	NA	PeJP	NA	NA
+PJ061743	GSSSTCCCK 	C30H54N10O14S3	874.2983	NA	PeJP	NA	NA
+PJ061744	GSCEMYW 	C38H50N8O12S2	874.299	NA	PeJP	NA	NA
+PJ061745	TCCMMMR 	C31H58N10O9S5	874.2992	NA	PeJP	NA	NA
+PJ061746	GSSSDEMY 	C34H50N8O17S	874.3015	NA	PeJP	NA	NA
+PJ061747	GNEMMMY 	C35H54N8O12S3	874.3024	NA	PeJP	NA	NA
+PJ061748	SCNNDHW 	C35H46N12O13S	874.3028	NA	PeJP	NA	NA
+PJ061749	GGGGSCDHW 	C35H46N12O13S	874.3029	NA	PeJP	NA	NA
+PJ061750	SSSNNDDH 	C31H46N12O18	874.3053	NA	PeJP	NA	NA
+PJ061751	GGGGSSSDDH 	C31H46N12O18	874.3054	NA	PeJP	NA	NA
+PJ061752	GSSTMMMM 	C32H58N8O12S4	874.3057	NA	PeJP	NA	NA
+PJ061753	SSSSCMHH 	C32H50N12O13S2	874.3062	NA	PeJP	NA	NA
+PJ061754	CDEHWW 	C40H46N10O11S	874.3069	NA	PeJP	NA	NA
+PJ061755	SSDDEHW 	C36H46N10O16	874.3094	NA	PeJP	NA	NA
+PJ061756	SPCDMHW 	C37H50N10O11S2	874.3102	NA	PeJP	NA	NA
+PJ061757	GGGGGACCFF 	C37H50N10O11S2	874.3103	NA	PeJP	NA	NA
+MJ096705	Syringaresinol, 4-O-[?-D-Apiofuranosyl-(1?2)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C39H54O22	874.310673	NA	MeJP	NA	NA
+PJ061758	SSSSCNQY 	C33H50N10O16S	874.3127	NA	PeJP	NA	NA
+PJ061759	GGGGSPPCDE 	C33H50N10O16S	874.3128	NA	PeJP	NA	NA
+PJ061760	NDDYYW 	C41H46N8O14	874.3134	NA	PeJP	NA	NA
+PJ061761	GCDMMRY 	C34H54N10O11S3	874.3136	NA	PeJP	NA	NA
+PJ061762	SCMYWW 	C42H50N8O9S2	874.3142	NA	PeJP	NA	NA
+PJ061763	GPCCFYW 	C42H50N8O9S2	874.3143	NA	PeJP	NA	NA
+PJ061764	SSSSSSCCK 	C30H54N10O16S2	874.3161	NA	PeJP	NA	NA
+PJ061765	GNNNNNND 	C30H46N14O17	874.3166	NA	PeJP	NA	NA
+PJ061766	SSSDMYW 	C38H50N8O14S	874.3167	NA	PeJP	NA	NA
+PJ061767	PPDDDMW 	C38H50N8O14S	874.3168	NA	PeJP	NA	NA
+PJ061768	STCCCCKK 	C31H58N10O11S4	874.317	NA	PeJP	NA	NA
+PJ061769	CCNNEHR 	C31H50N14O12S2	874.3174	NA	PeJP	NA	NA
+PJ061770	GGCCNEHR 	C31H50N14O12S2	874.3175	NA	PeJP	NA	NA
+PJ061771	NMMMYW 	C39H54N8O9S3	874.3176	NA	PeJP	NA	NA
+PJ061772	SSSSSEEY 	C34H50N8O19	874.3192	NA	PeJP	NA	NA
+PJ061773	PNEEEEE 	C34H50N8O19	874.3193	NA	PeJP	NA	NA
+PJ061774	SSQEMMY 	C35H54N8O14S2	874.3201	NA	PeJP	NA	NA
+PJ061775	NNNDDHF 	C35H46N12O15	874.3206	NA	PeJP	NA	NA
+PJ061776	TCYYYY 	C43H50N6O12S	874.3208	NA	PeJP	NA	NA
+PJ061777	PCCKMMY 	C36H58N8O9S4	874.321	NA	PeJP	NA	NA
+PJ061778	GCNQMHW 	C36H50N12O10S2	874.3215	NA	PeJP	NA	NA
+PJ061779	SSSTTMMM 	C32H58N8O14S3	874.3235	NA	PeJP	NA	NA
+PJ061780	SDDDMHR 	C32H50N12O15S	874.324	NA	PeJP	NA	NA
+PJ061781	TCKMMMM 	C33H62N8O9S5	874.3244	NA	PeJP	NA	NA
+PJ061782	PCCEMHR 	C33H54N12O10S3	874.3248	NA	PeJP	NA	NA
+PJ061783	GGAPCCCKH 	C33H54N12O10S3	874.3249	NA	PeJP	NA	NA
+PJ061784	CNNNHHH 	C33H46N16O11S	874.3253	NA	PeJP	NA	NA
+MJ096706	Bussein L 	C43H54O19	874.325929	NA	MeJP	NA	NA
+PJ061785	GSEEMHW 	C37H50N10O13S	874.328	NA	PeJP	NA	NA
+PJ061786	APCMMHW 	C38H54N10O8S3	874.3289	NA	PeJP	NA	NA
+PJ061787	GSSSSSSNY 	C33H50N10O18	874.3305	NA	PeJP	NA	NA
+PJ061788	SSCEMRY 	C34H54N10O13S2	874.3314	NA	PeJP	NA	NA
+PJ061789	SNDEHHH 	C34H46N14O14	874.3318	NA	PeJP	NA	NA
+PJ061790	GSPCYYW 	C42H50N8O11S	874.332	NA	PeJP	NA	NA
+PJ061791	GCMMMFR 	C35H58N10O8S4	874.3322	NA	PeJP	NA	NA
+PJ061792	GCCNHRW 	C35H50N14O9S2	874.3327	NA	PeJP	NA	NA
+PJ061793	GPEEEEW 	C38H50N8O16	874.3345	NA	PeJP	NA	NA
+PJ061794	GSSCNDHR 	C31H50N14O14S	874.3352	NA	PeJP	NA	NA
+PJ061795	GSTMMYW 	C39H54N8O11S2	874.3354	NA	PeJP	NA	NA
+PJ061796	GSSTTEMY 	C35H54N8O16S	874.3379	NA	PeJP	NA	NA
+PJ061797	ATQMMMY 	C36H58N8O11S3	874.3387	NA	PeJP	NA	NA
+PJ061798	GDKMMMY 	C36H58N8O11S3	874.3388	NA	PeJP	NA	NA
+PJ061799	SSNNMHW 	C36H50N12O12S	874.3392	NA	PeJP	NA	NA
+PJ061800	GGGGGGGAPCW 	C36H50N12O12S	874.3393	NA	PeJP	NA	NA
+PJ061801	GSPNDDDR 	C32H50N12O17	874.3417	NA	PeJP	NA	NA
+PJ061802	GGGGGGGAQEE 	C32H50N12O17	874.3418	NA	PeJP	NA	NA
+PJ061803	GDEMMHR 	C33H54N12O12S2	874.3426	NA	PeJP	NA	NA
+PJ061804	SEMHWW 	C41H50N10O10S	874.3432	NA	PeJP	NA	NA
+PJ061805	SSTEEHW 	C37H50N10O15	874.3457	NA	PeJP	NA	NA
+PJ061806	GGSPNEEW 	C37H50N10O15	874.3458	NA	PeJP	NA	NA
+PJ061807	AAEMMHW 	C38H54N10O10S2	874.3466	NA	PeJP	NA	NA
+PJ061808	GSDHHHW 	C38H46N14O11	874.3471	NA	PeJP	NA	NA
+PJ061809	ACFYWW 	C46H50N8O8S	874.3473	NA	PeJP	NA	NA
+PJ061810	SSSSCNKY 	C34H54N10O15S	874.3491	NA	PeJP	NA	NA
+PJ061811	PEEEWW 	C42H50N8O13	874.3498	NA	PeJP	NA	NA
+PJ061812	GSMMMRY 	C35H58N10O10S3	874.35	NA	PeJP	NA	NA
+PJ061813	GQEMHHH 	C35H50N14O11S	874.3505	NA	PeJP	NA	NA
+MJ096707	Pusilatin B; 11,11''-Di-Me ether 	C58H50O8	874.350568	NA	MeJP	NA	NA
+PJ061814	NMMFFW 	C43H54N8O8S2	874.3506	NA	PeJP	NA	NA
+PJ061815	GSNNNNQQ 	C31H50N14O16	874.3529	NA	PeJP	NA	NA
+PJ061816	NNNNDER 	C31H50N14O16	874.353	NA	PeJP	NA	NA
+PJ061817	SSTTMYW 	C39H54N8O13S	874.3531	NA	PeJP	NA	NA
+PJ061818	GPPPDDMF 	C39H54N8O13S	874.3532	NA	PeJP	NA	NA
+PJ061819	GFYYYY 	C47H50N6O11	874.3538	NA	PeJP	NA	NA
+PJ061820	PCCKMFF 	C40H58N8O8S3	874.354	NA	PeJP	NA	NA
+PJ061821	GCQHHFF 	C40H50N12O9S	874.3545	NA	PeJP	NA	NA
+PJ061822	SSSTTTEY 	C35H54N8O18	874.3556	NA	PeJP	NA	NA
+PJ061823	GSPVEEEE 	C35H54N8O18	874.3557	NA	PeJP	NA	NA
+PJ061824	SSKEMMY 	C36H58N8O13S2	874.3565	NA	PeJP	NA	NA
+PJ061825	GSSSSQHW 	C36H50N12O14	874.357	NA	PeJP	NA	NA
+PJ061826	GKMMMMF 	C37H62N8O8S4	874.3574	NA	PeJP	NA	NA
+PJ061827	ACCQKHW 	C37H54N12O9S2	874.3578	NA	PeJP	NA	NA
+PJ061828	DMMHRW 	C37H54N12O9S2	874.3579	NA	PeJP	NA	NA
+PJ061829	PCHFWW 	C45H50N10O7S	874.3585	NA	PeJP	NA	NA
+PJ061830	PCDQQER 	C33H54N12O14S	874.3603	NA	PeJP	NA	NA
+PJ061831	SSEEMHR 	C33H54N12O14S	874.3604	NA	PeJP	NA	NA
+MJ096708	Pacidamycin 1 	C41H50N10O12	874.360967	NA	MeJP	NA	NA
+PJ061832	GSPNEWW 	C41H50N10O12	874.361	NA	PeJP	NA	NA
+PJ061833	PTCMMHR 	C34H58N12O9S3	874.3612	NA	PeJP	NA	NA
+PJ061834	GCEHHHR 	C34H50N16O10S	874.3617	NA	PeJP	NA	NA
+PJ061835	CLMHWW 	C42H54N10O7S2	874.3619	NA	PeJP	NA	NA
+PJ061836	ATTEMHW 	C38H54N10O12S	874.3644	NA	PeJP	NA	NA
+PJ061837	GTYYWW 	C46H50N8O10	874.365	NA	PeJP	NA	NA
+PJ061838	SCCNHRR 	C31H54N16O10S2	874.3651	NA	PeJP	NA	NA
+PJ061839	QMHHHW 	C39H50N14O8S	874.3657	NA	PeJP	NA	NA
+PJ061840	SPEEEER 	C34H54N10O17	874.3669	NA	PeJP	NA	NA
+PJ061841	SSTMMRY 	C35H58N10O12S2	874.3677	NA	PeJP	NA	NA
+PJ061842	PPDEMMR 	C35H58N10O12S2	874.3678	NA	PeJP	NA	NA
+PJ061843	GNNNDRW 	C35H50N14O13	874.3682	NA	PeJP	NA	NA
+PJ061844	VNMYYW 	C43H54N8O10S	874.3684	NA	PeJP	NA	NA
+PJ061845	GNHHHHH 	C36H46N18O9	874.3696	NA	PeJP	NA	NA
+PJ061846	SPVEEEW 	C39H54N8O15	874.3709	NA	PeJP	NA	NA
+PJ061847	PCNDDRR 	C32H54N14O13S	874.3716	NA	PeJP	NA	NA
+PJ061848	PPVDMMW 	C40H58N8O10S2	874.3718	NA	PeJP	NA	NA
+PJ061849	NNQQWW 	C40H50N12O11	874.3722	NA	PeJP	NA	NA
+PJ061850	GGGGGAQWW 	C40H50N12O11	874.3723	NA	PeJP	NA	NA
+PJ061851	SSSSTLMY 	C36H58N8O15S	874.3743	NA	PeJP	NA	NA
+PJ061852	ATKMMMY 	C37H62N8O10S3	874.3751	NA	PeJP	NA	NA
+PJ061853	GPNDMRW 	C37H54N12O11S	874.3756	NA	PeJP	NA	NA
+PJ061854	SPNWWW 	C45H50N10O9	874.3763	NA	PeJP	NA	NA
+PJ061855	CHHHRW 	C38H50N16O7S	874.377	NA	PeJP	NA	NA
+PJ061856	GQQEEER 	C33H54N12O16	874.3781	NA	PeJP	NA	NA
+PJ061857	ATEMMHR 	C34H58N12O11S2	874.379	NA	PeJP	NA	NA
+PJ061858	SSDHHHR 	C34H50N16O12	874.3794	NA	PeJP	NA	NA
+PJ061859	PQQMWW 	C42H54N10O9S	874.3796	NA	PeJP	NA	NA
+PJ061860	TTTTEHW 	C38H54N10O14	874.3821	NA	PeJP	NA	NA
+PJ061861	GGGGALEEW 	C38H54N10O14	874.3822	NA	PeJP	NA	NA
+PJ061862	GTLMMHW 	C39H58N10O9S2	874.383	NA	PeJP	NA	NA
+PJ061863	GTTHHHW 	C39H50N14O10	874.3835	NA	PeJP	NA	NA
+PJ061864	MHFFFF 	C47H54N8O7S	874.3837	NA	PeJP	NA	NA
+PJ061865	PVDEEMR 	C35H58N10O14S	874.3855	NA	PeJP	NA	NA
+PJ061866	SKEYYW 	C43H54N8O12	874.3861	NA	PeJP	NA	NA
+PJ061867	PPPTDYW 	C43H54N8O12	874.3862	NA	PeJP	NA	NA
+PJ061868	CCCKKKY 	C36H62N10O9S3	874.3864	NA	PeJP	NA	NA
+PJ061869	GNNMHFR 	C36H54N14O10S	874.3868	NA	PeJP	NA	NA
+PJ061870	GGGNMHFR 	C36H54N14O10S	874.3869	NA	PeJP	NA	NA
+PJ061871	ANDDERR 	C32H54N14O15	874.3893	NA	PeJP	NA	NA
+PJ061872	GNDEERR 	C32H54N14O15	874.3894	NA	PeJP	NA	NA
+PJ061873	APLEEMW 	C40H58N8O12S	874.3895	NA	PeJP	NA	NA
+PJ061874	GSPPCCRR 	C33H58N14O10S2	874.3902	NA	PeJP	NA	NA
+PJ061875	PCQRWW 	C41H54N12O8S	874.3909	NA	PeJP	NA	NA
+PJ061876	STTTTTTY 	C36H58N8O17	874.392	NA	PeJP	NA	NA
+PJ061877	TTTKMMY 	C37H62N8O12S2	874.3929	NA	PeJP	NA	NA
+PJ061878	VTNNNQW 	C37H54N12O13	874.3933	NA	PeJP	NA	NA
+PJ061879	QQEERW 	C37H54N12O13	874.3934	NA	PeJP	NA	NA
+PJ061880	ACCKKHW 	C38H58N12O8S2	874.3942	NA	PeJP	NA	NA
+PJ061881	PPNHHHH 	C38H50N16O9	874.3947	NA	PeJP	NA	NA
+PJ061882	TTTEMHR 	C34H58N12O13S	874.3967	NA	PeJP	NA	NA
+PJ061883	GGGAPTEMR 	C34H58N12O13S	874.3968	NA	PeJP	NA	NA
+PJ061884	VQQEWW 	C42H54N10O11	874.3974	NA	PeJP	NA	NA
+PJ061885	GLMMMHR 	C35H62N12O8S3	874.3976	NA	PeJP	NA	NA
+PJ061886	GTMHHHR 	C35H54N16O9S	874.3981	NA	PeJP	NA	NA
+PJ061887	SNNNDRR 	C31H54N16O14	874.4006	NA	PeJP	NA	NA
+PJ061888	STTLMHW 	C39H58N10O11S	874.4007	NA	PeJP	NA	NA
+PJ061889	VTTTMHW 	C39H58N10O11S	874.4008	NA	PeJP	NA	NA
+PJ061890	VNFFYW 	C47H54N8O9	874.4014	NA	PeJP	NA	NA
+MJ096709	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-(6-Deoxy-2-O-sulfo-?-D-glucopyranoside), 27-O-?-D-glucopyranosyl ester 	C42H66O17S	874.402071	NA	MeJP	NA	NA
+MJ096710	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-(6-Deoxy-2-O-sulfo-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester 	C42H66O17S	874.402071	NA	MeJP	NA	NA
+PJ061891	KMHHHW 	C40H54N14O7S	874.4021	NA	PeJP	NA	NA
+PJ061892	SSSPLQQE 	C35H58N10O16	874.4032	NA	PeJP	NA	NA
+PJ061893	ALEEEER 	C35H58N10O16	874.4033	NA	PeJP	NA	NA
+PJ061894	SLKEMMH 	C36H62N10O11S2	874.4041	NA	PeJP	NA	NA
+PJ061895	GGGGGPVLMM 	C36H62N10O11S2	874.4042	NA	PeJP	NA	NA
+PJ061896	NDERRW 	C36H54N14O12	874.4046	NA	PeJP	NA	NA
+PJ061897	CLKYYW 	C44H58N8O9S	874.4048	NA	PeJP	NA	NA
+PJ061898	GLLEEEW 	C40H58N8O14	874.4073	NA	PeJP	NA	NA
+PJ061899	SPNDMRR 	C33H58N14O12S	874.408	NA	PeJP	NA	NA
+PJ061900	PPTLMMW 	C41H62N8O9S2	874.4081	NA	PeJP	NA	NA
+PJ061901	GVKMMFY 	C41H62N8O9S2	874.4082	NA	PeJP	NA	NA
+PJ061902	AQERWW 	C41H54N12O10	874.4086	NA	PeJP	NA	NA
+PJ061903	PLKEEEM 	C37H62N8O14S	874.4107	NA	PeJP	NA	NA
+PJ061904	GPPVLMMM 	C38H66N8O9S3	874.4115	NA	PeJP	NA	NA
+PJ061905	GPTQMRW 	C38H58N12O10S	874.412	NA	PeJP	NA	NA
+PJ061906	GLQWWW 	C46H54N10O8	874.4126	NA	PeJP	NA	NA
+PJ061907	GGALWWW 	C46H54N10O8	874.4127	NA	PeJP	NA	NA
+PJ061908	GQKEEER 	C34H58N12O15	874.4145	NA	PeJP	NA	NA
+PJ061909	STLMMHR 	C35H62N12O10S2	874.4154	NA	PeJP	NA	NA
+PJ061910	STTHHHR 	C35H54N16O11	874.4158	NA	PeJP	NA	NA
+PJ061911	GGGGPTHHR 	C35H54N16O11	874.4159	NA	PeJP	NA	NA
+PJ061912	PQKMWW 	C43H58N10O8S	874.416	NA	PeJP	NA	NA
+PJ061913	GVQKEEW 	C39H58N10O13	874.4185	NA	PeJP	NA	NA
+PJ061914	GNNQMRR 	C32H58N16O11S	874.4192	NA	PeJP	NA	NA
+PJ061915	KMMFRY 	C40H62N10O8S2	874.4194	NA	PeJP	NA	NA
+MJ096711	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C42H66O19	874.419829	NA	MeJP	NA	NA
+MJ096712	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-D-galactopyranoside] 	C42H66O19	874.419829	NA	MeJP	NA	NA
+MJ096713	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside] 	C42H66O19	874.419829	NA	MeJP	NA	NA
+MJ096714	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] 	C42H66O19	874.419829	NA	MeJP	NA	NA
+PJ061916	GDRRWW 	C40H54N14O9	874.4199	NA	PeJP	NA	NA
+PJ061917	PTLEEMR 	C36H62N10O13S	874.4219	NA	PeJP	NA	NA
+PJ061918	LLEEWW 	C44H58N8O11	874.4225	NA	PeJP	NA	NA
+PJ061919	GPPPVDFF 	C44H58N8O11	874.4226	NA	PeJP	NA	NA
+PJ061920	PPLMMMR 	C37H66N10O8S3	874.4228	NA	PeJP	NA	NA
+PJ061921	GPTCRRW 	C37H58N14O9S	874.4232	NA	PeJP	NA	NA
+PJ061922	AARWWW 	C45H54N12O7	874.4239	NA	PeJP	NA	NA
+MJ096715	Izumenolide 	C40H74O14S3	874.424069	NA	MeJP	NA	NA
+PJ061923	GTQEERR 	C33H58N14O14	874.4257	NA	PeJP	NA	NA
+PJ061924	GGGGGGTKER 	C33H58N14O14	874.4258	NA	PeJP	NA	NA
+PJ061925	SPLLEMW 	C41H62N8O11S	874.4259	NA	PeJP	NA	NA
+PJ061926	GPQMMRR 	C34H62N14O9S2	874.4266	NA	PeJP	NA	NA
+PJ061927	PCKRWW 	C42H58N12O7S	874.4273	NA	PeJP	NA	NA
+PJ061928	VLKEEEE 	C37H62N8O16	874.4284	NA	PeJP	NA	NA
+PJ061929	AAPLLEMM 	C38H66N8O11S2	874.4293	NA	PeJP	NA	NA
+PJ061930	ASVQERW 	C38H58N12O12	874.4297	NA	PeJP	NA	NA
+PJ061931	QKEERW 	C38H58N12O12	874.4298	NA	PeJP	NA	NA
+PJ061932	GCNNRRR 	C31H58N18O10S	874.4304	NA	PeJP	NA	NA
+PJ061933	GGGCNRRR 	C31H58N18O10S	874.4305	NA	PeJP	NA	NA
+PJ061934	AAHHHFR 	C39H54N16O8	874.4311	NA	PeJP	NA	NA
+7429	coeliac toxic peptide	QQPPFSQQQQPVLPQ	874.433	MH2+	Inhouse_peptide	NA	peptide
+PJ061935	SPQKEMR 	C35H62N12O12S	874.4331	NA	PeJP	NA	NA
+PJ061936	GGGGGGAALKM 	C35H62N12O12S	874.4332	NA	PeJP	NA	NA
+PJ061937	VQKEWW 	C43H58N10O10	874.4338	NA	PeJP	NA	NA
+PJ061938	GSDERRR 	C32H58N16O13	874.437	NA	PeJP	NA	NA
+PJ061939	APDKKMW 	C40H62N10O10S	874.4371	NA	PeJP	NA	NA
+PJ061940	GPKKEMW 	C40H62N10O10S	874.4372	NA	PeJP	NA	NA
+PJ061941	TKFFFW 	C48H58N8O8	874.4378	NA	PeJP	NA	NA
+PJ061942	SLLEEER 	C36H62N10O15	874.4396	NA	PeJP	NA	NA
+PJ061943	TLLDEER 	C36H62N10O15	874.4397	NA	PeJP	NA	NA
+PJ061944	PVLEMMR 	C37H66N10O10S2	874.4405	NA	PeJP	NA	NA
+PJ061945	TQERRW 	C37H58N14O11	874.441	NA	PeJP	NA	NA
+3219	calpain inhibitor	TIPPEYR	874.441	celiac toxic	Inhouse_peptide	NA	peptide
+PJ061946	PPVVMFW 	C45H62N8O8S	874.4412	NA	PeJP	NA	NA
+PJ061947	SVLLEEW 	C41H62N8O13	874.4437	NA	PeJP	NA	NA
+PJ061948	ANQQKMR 	C34H62N14O11S	874.4443	NA	PeJP	NA	NA
+PJ061949	GVQEMRR 	C34H62N14O11S	874.4444	NA	PeJP	NA	NA
+PJ061950	PVVLMMW 	C42H66N8O8S2	874.4445	NA	PeJP	NA	NA
+PJ061951	AKERWW 	C42H58N12O9	874.445	NA	PeJP	NA	NA
+PJ061952	LLLQEEM 	C38H66N8O13S	874.447	NA	PeJP	NA	NA
+PJ061953	GALLLEEM 	C38H66N8O13S	874.4471	NA	PeJP	NA	NA
+PJ061954	GPTKMRW 	C39H62N12O9S	874.4484	NA	PeJP	NA	NA
+PJ061955	GLKWWW 	C47H58N10O7	874.449	NA	PeJP	NA	NA
+MJ096716	Mycinamycin XI; 14-Deoxy 	C42H70N2O15S	874.44969	NA	MeJP	NA	NA
+PJ061956	GKKEEER 	C35H62N12O14	874.4509	NA	PeJP	NA	NA
+PJ061957	PVNKMMR 	C36H66N12O9S2	874.4518	NA	PeJP	NA	NA
+PJ061958	SDRRRW 	C36H58N16O10	874.4522	NA	PeJP	NA	NA
+PJ061959	PKKMWW 	C44H62N10O7S	874.4524	NA	PeJP	NA	NA
+PJ061960	GVKKEEW 	C40H62N10O12	874.4549	NA	PeJP	NA	NA
+PJ061961	QEMRRR 	C33H62N16O10S	874.4556	NA	PeJP	NA	NA
+PJ061962	ATRRWW 	C41H58N14O8	874.4562	NA	PeJP	NA	NA
+MJ096717	8(14),15-Pimaradiene-3,12-diol, 3-O-[?-D-Fucopyranosyl-(1?3)-?-D-fucopyranosyl-(1?2)-?-L-arabinofuranoside], 12-O-?-D-fucopyranoside 	C43H70O18	874.456215	NA	MeJP	NA	NA
+PJ061963	GGPFRRW 	C41H58N14O8	874.4563	NA	PeJP	NA	NA
+PJ061964	VVLEEMR 	C37H66N10O12S	874.4583	NA	PeJP	NA	NA
+PJ061965	SPPLLYW 	C45H62N8O10	874.4589	NA	PeJP	NA	NA
+PJ061966	VQMRRW 	C38H62N14O8S	874.4596	NA	PeJP	NA	NA
+PJ061967	GTKEERR 	C34H62N14O13	874.4621	NA	PeJP	NA	NA
+PJ061968	ALLLEMW 	C42H66N8O10S	874.4623	NA	PeJP	NA	NA
+PJ061969	GPKMMRR 	C35H66N14O8S2	874.463	NA	PeJP	NA	NA
+PJ061970	AAQHHRR 	C35H58N18O9	874.4635	NA	PeJP	NA	NA
+PJ061971	GTTLLLEE 	C38H66N8O15	874.4648	NA	PeJP	NA	NA
+PJ061972	GPTLLLMM 	C39H70N8O10S2	874.4657	NA	PeJP	NA	NA
+PJ061973	KKEERW 	C39H62N12O11	874.4661	NA	PeJP	NA	NA
+PJ061974	GGGDKKKW 	C39H62N12O11	874.4662	NA	PeJP	NA	NA
+PJ061975	CERRRR 	C32H62N18O9S	874.4668	NA	PeJP	NA	NA
+PJ061976	SPKKEMR 	C36H66N12O11S	874.4695	NA	PeJP	NA	NA
+PJ061977	VKKEWW 	C44H62N10O9	874.4702	NA	PeJP	NA	NA
+PJ061978	AMRRRW 	C37H62N16O7S	874.4709	NA	PeJP	NA	NA
+MJ096718	Avermectin B1b; 22,23-Dihydro, 23S-hydroxy, 5-ketone 	C47H70O15	874.471471	NA	MeJP	NA	NA
+MJ096719	Pectenotoxin 1 	C47H70O15	874.471471	NA	MeJP	NA	NA
+PJ061979	SSNQKRR 	C33H62N16O12	874.4733	NA	PeJP	NA	NA
+PJ061980	GTTERRR 	C33H62N16O12	874.4734	NA	PeJP	NA	NA
+PJ061981	SPVKKMW 	C41H66N10O9S	874.4735	NA	PeJP	NA	NA
+PJ061982	NHHRRR 	C34H58N20O8	874.4747	NA	PeJP	NA	NA
+PJ061983	VDKKKEE 	C37H66N10O14	874.476	NA	PeJP	NA	NA
+PJ061984	PLQKKMM 	C38H70N10O9S2	874.4769	NA	PeJP	NA	NA
+PJ061985	TKERRW 	C38H62N14O10	874.4774	NA	PeJP	NA	NA
+MJ096720	N-Deacyltunicamycin; N4''-(16-Methylheptadecanoyl) 	C41H70N4O16	874.478682	NA	MeJP	NA	NA
+PJ061986	TTLLLEW 	C42H66N8O12	874.48	NA	PeJP	NA	NA
+PJ061987	GAPLLLEY 	C42H66N8O12	874.4801	NA	PeJP	NA	NA
+PJ061988	AVDKMRR 	C35H66N14O10S	874.4807	NA	PeJP	NA	NA
+PJ061989	GVKEMRR 	C35H66N14O10S	874.4808	NA	PeJP	NA	NA
+PJ061990	SLKRWW 	C43H62N12O8	874.4814	NA	PeJP	NA	NA
+PJ061991	LLLKEEM 	C39H70N8O12S	874.4834	NA	PeJP	NA	NA
+PJ061992	AALKMRW 	C40H66N12O8S	874.4848	NA	PeJP	NA	NA
+PJ061993	SVKKEER 	C36H66N12O13	874.4873	NA	PeJP	NA	NA
+PJ061994	PCLKKMR 	C37H70N12O8S2	874.4881	NA	PeJP	NA	NA
+PJ061995	TTRRRW 	C37H62N16O9	874.4886	NA	PeJP	NA	NA
+PJ061996	ATLKKEW 	C41H66N10O11	874.4913	NA	PeJP	NA	NA
+PJ061997	KEMRRR 	C34H66N16O9S	874.492	NA	PeJP	NA	NA
+MJ096721	Lankamycin; 15-Ac 	C44H74O17	874.4926	NA	MeJP	NA	NA
+PJ061998	LHFFRR 	C42H62N14O7	874.4926	NA	PeJP	NA	NA
+PJ061999	TLLLEMR 	C38H70N10O11S	874.4947	NA	PeJP	NA	NA
+MJ096722	Mozamide B 	C46H66N8O9	874.495275	NA	MeJP	NA	NA
+PJ062000	APLLLYW 	C46H66N8O9	874.4953	NA	PeJP	NA	NA
+PJ062001	VKMRRW 	C39H66N14O7S	874.496	NA	PeJP	NA	NA
+PJ062002	SSLKERR 	C35H66N14O12	874.4985	NA	PeJP	NA	NA
+PJ062003	SLLLLMW 	C43H70N8O9S	874.4987	NA	PeJP	NA	NA
+PJ062004	AAKHHRR 	C36H62N18O8	874.4998	NA	PeJP	NA	NA
+PJ062005	GPPHRRR 	C36H62N18O8	874.4999	NA	PeJP	NA	NA
+PJ062006	SSTLLLLE 	C39H70N8O14	874.5012	NA	PeJP	NA	NA
+PJ062007	AALLLLMM 	C40H74N8O9S2	874.5021	NA	PeJP	NA	NA
+PJ062008	ATTLKRW 	C40H66N12O10	874.5025	NA	PeJP	NA	NA
+PJ062009	TMRRRR 	C33H66N18O8S	874.5032	NA	PeJP	NA	NA
+PJ062010	ALKKEMR 	C37H70N12O10S	874.5059	NA	PeJP	NA	NA
+PJ062011	VVVKHFF 	C45H66N10O8	874.5065	NA	PeJP	NA	NA
+PJ062012	GPLKKFW 	C45H66N10O8	874.5066	NA	PeJP	NA	NA
+PJ062013	SSTLRRR 	C34H66N16O11	874.5097	NA	PeJP	NA	NA
+PJ062014	GLLKKMW 	C42H70N10O8S	874.5099	NA	PeJP	NA	NA
+PJ062015	TLKKKEE 	C38H70N10O13	874.5124	NA	PeJP	NA	NA
+PJ062016	VLLLMMR 	C39H74N10O8S2	874.5133	NA	PeJP	NA	NA
+PJ062017	GPVKRRY 	C39H66N14O9	874.5138	NA	PeJP	NA	NA
+PJ062018	PLLLKEY 	C43H70N8O11	874.5164	NA	PeJP	NA	NA
+PJ062019	GALLLLEF 	C43H70N8O11	874.5165	NA	PeJP	NA	NA
+PJ062020	ATLKMRR 	C36H70N14O9S	874.5171	NA	PeJP	NA	NA
+PJ062021	ATTLLLLM 	C40H74N8O11S	874.5198	NA	PeJP	NA	NA
+PJ062022	TTLKKER 	C37H70N12O12	874.5236	NA	PeJP	NA	NA
+PJ062023	GSTTLLKR 	C37H70N12O12	874.5237	NA	PeJP	NA	NA
+PJ062024	PKRRRY 	C38H66N16O8	874.525	NA	PeJP	NA	NA
+PJ062025	STLLKKW 	C42H70N10O10	874.5277	NA	PeJP	NA	NA
+PJ062026	GCKKKRR 	C35H70N16O8S	874.5284	NA	PeJP	NA	NA
+PJ062027	VLKKKEM 	C39H74N10O10S	874.531	NA	PeJP	NA	NA
+PJ062028	LLDKKKM 	C39H74N10O10S	874.5311	NA	PeJP	NA	NA
+PJ062029	ALLLLFW 	C47H70N8O8	874.5317	NA	PeJP	NA	NA
+PJ062030	TTTLKRR 	C36H70N14O11	874.5349	NA	PeJP	NA	NA
+8164	antimicrobial peptide derived from aS1-casein (1-7)	RPKHPIK	874.535	antibacterial	Inhouse_peptide	NA	peptide
+PJ062031	TTTTLLLL 	C40H74N8O13	874.5376	NA	PeJP	NA	NA
+PJ062032	GTKKKKW 	C41H70N12O9	874.5389	NA	PeJP	NA	NA
+PJ062033	SLLKKMR 	C38H74N12O9S	874.5423	NA	PeJP	NA	NA
+PJ062034	SSSLLLKK 	C39H74N10O12	874.5488	NA	PeJP	NA	NA
+PJ062035	VVKKKHH 	C40H70N14O8	874.5501	NA	PeJP	NA	NA
+PJ062036	GVLKFRR 	C40H70N14O8	874.5502	NA	PeJP	NA	NA
+PJ062037	LLLLLQY 	C44H74N8O10	874.5528	NA	PeJP	NA	NA
+PJ062038	GKKKKMR 	C37H74N14O8S	874.5535	NA	PeJP	NA	NA
+PJ062039	SKKKKKE 	C38H74N12O11	874.56	NA	PeJP	NA	NA
+PJ062040	LKFRRR 	C39H70N16O7	874.5614	NA	PeJP	NA	NA
+PJ062041	VVLLLRY 	C43H74N10O9	874.5641	NA	PeJP	NA	NA
+PJ062042	STKKKKR 	C37H74N14O10	874.5713	NA	PeJP	NA	NA
+PJ062043	ALLKKFR 	C42H74N12O8	874.5753	NA	PeJP	NA	NA
+PJ062044	CLKKKKK 	C39H78N12O8S	874.5787	NA	PeJP	NA	NA
+PJ062045	LLLLLKY 	C45H78N8O9	874.5892	NA	PeJP	NA	NA
+PJ062046	VLLKKKF 	C44H78N10O8	874.6005	NA	PeJP	NA	NA
+MJ096723	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-docosanoyl 	C56H90O7	874.668655	NA	MeJP	NA	NA
+HMDB10507	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]	C57H94O6	874.705017	NA	HMDB2010	NA	NA
+HMDB10518	TG(20:4(5Z,8Z,11Z,14Z)/14:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C57H94O6	874.705017	NA	HMDB2010	NA	NA
+C09811	Cyclohex-1-ene-1-carboxyl-CoA	C28H44N7O17P3S	875.1727	NA	KEGG	NA	NA
+C16468	(2E)-5-Methylhexa-2,4-dienoyl-CoA	C28H44N7O17P3S	875.1727	NA	KEGG	NA	NA
+MetaCyc04223	cyclohex-1-ene-1-carboxyl-CoA [cyclohex-1-ene-1-carbonyl-CoA;]	C28H44N7O17P3S1	875.172723	NA	metacyc	NA	NA
+PJ062047	CCCCCNNN 	C27H45N11O12S5	875.1853	NA	PeJP	NA	NA
+FL7AAGGL0024	Monodemalonylsalviadelphin;Delphinidin 3-[6-(caffeoylglucoside)]-5-[6-(malonylglucoside)]	C39H39O23	875.18821	128508-46-3<BR>144607-77-2	knapsack	NA	NA
+PJ062048	SCCCCNDE 	C28H45N9O15S4	875.1918	NA	PeJP	NA	NA
+PJ062049	PCCCCCNM 	C29H49N9O10S6	875.1927	NA	PeJP	NA	NA
+PJ062050	GSCCCCDW 	C32H45N9O12S4	875.2071	NA	PeJP	NA	NA
+C16303	Ternatin C5	C36H43O25	875.2093	NA	KEGG	NA	NA
+FL7AAGGL0057	Ternatin C5	C36H43O25	875.20934	215378-78-2	knapsack	NA	NA
+PJ062051	GSSSCCCDD 	C28H45N9O17S3	875.2096	NA	PeJP	NA	NA
+PJ062052	GCCCNDMM 	C29H49N9O12S5	875.2105	NA	PeJP	NA	NA
+PJ062053	GCCCCCER 	C28H49N11O11S5	875.2217	NA	PeJP	NA	NA
+PJ062054	GCCCNDDF 	C32H45N9O14S3	875.2249	NA	PeJP	NA	NA
+PJ062055	CCCCQMW 	C33H49N9O9S5	875.2257	NA	PeJP	NA	NA
+PJ062056	SSCCCNEM 	C29H49N9O14S4	875.2282	NA	PeJP	NA	NA
+PJ062057	GCCCCNHH 	C30H45N13O10S4	875.2296	NA	PeJP	NA	NA
+PJ062058	CDDDDMY 	C33H45N7O17S2	875.2314	NA	PeJP	NA	NA
+PJ062059	CDDMMMM 	C31H53N7O12S5	875.2356	NA	PeJP	NA	NA
+PJ062060	CCCCCRW 	C32H49N11O8S5	875.237	NA	PeJP	NA	NA
+PJ062061	SSCCCCDR 	C28H49N11O13S4	875.2395	NA	PeJP	NA	NA
+PJ062062	GSCCNDDY 	C32H45N9O16S2	875.2426	NA	PeJP	NA	NA
+PJ062063	GSSCCCMW 	C33H49N9O11S4	875.2435	NA	PeJP	NA	NA
+PJ062064	GSSSSCCDM 	C29H49N9O16S3	875.246	NA	PeJP	NA	NA
+PJ062065	GSCCNMMM 	C30H53N9O11S5	875.2468	NA	PeJP	NA	NA
+PJ062066	GGGSCCMMM 	C30H53N9O11S5	875.2469	NA	PeJP	NA	NA
+PJ062067	CDDDMMF 	C34H49N7O14S3	875.25	NA	PeJP	NA	NA
+PJ062068	CCDMMHH 	C32H49N11O10S4	875.2547	NA	PeJP	NA	NA
+PJ062069	GTCCCCMR 	C29H53N11O10S5	875.2581	NA	PeJP	NA	NA
+PJ062070	DDDDEMH 	C32H45N9O18S	875.2604	NA	PeJP	NA	NA
+PJ062071	SSSTCCCW 	C33H49N9O13S3	875.2612	NA	PeJP	NA	NA
+PJ062072	CCCCKMW 	C34H53N9O8S5	875.2621	NA	PeJP	NA	NA
+PJ062073	SSSSSSCCE 	C29H49N9O18S2	875.2637	NA	PeJP	NA	NA
+PJ062074	CDDDDFF 	C37H45N7O16S	875.2644	NA	PeJP	NA	NA
+PJ062075	SSSCCQMM 	C30H53N9O13S4	875.2646	NA	PeJP	NA	NA
+PJ062076	GCCNNNDH 	C30H45N13O14S2	875.2651	NA	PeJP	NA	NA
+PJ062077	SDDDMMY 	C34H49N7O16S2	875.2677	NA	PeJP	NA	NA
+PJ062078	TCDDEMY 	C34H49N7O16S2	875.2678	NA	PeJP	NA	NA
+PJ062079	PCCEMMY 	C35H53N7O11S4	875.2686	NA	PeJP	NA	NA
+PJ062080	CCDDHHF 	C35H45N11O12S2	875.2691	NA	PeJP	NA	NA
+PJ062081	GSCNDDEH 	C31H45N11O17S	875.2716	NA	PeJP	NA	NA
+PJ062082	SDMMMMM 	C32H57N7O11S5	875.272	NA	PeJP	NA	NA
+PJ062083	CCCNDRY 	C32H49N11O12S3	875.2725	NA	PeJP	NA	NA
+PJ062084	CCCHHHH 	C33H45N15O8S3	875.2738	NA	PeJP	NA	NA
+PJ062085	SSSCCCMR 	C29H53N11O12S4	875.2758	NA	PeJP	NA	NA
+PJ062086	GCCNMYW 	C37H49N9O10S3	875.2765	NA	PeJP	NA	NA
+PJ062087	GPNDDDDE 	C32H45N9O20	875.2781	NA	PeJP	NA	NA
+PJ062088	GSSCNDMY 	C33H49N9O15S2	875.279	NA	PeJP	NA	NA
+PJ062089	GPCCCCKY 	C34H53N9O10S4	875.2799	NA	PeJP	NA	NA
+PJ062090	GDDDEYY 	C37H45N7O18	875.2821	NA	PeJP	NA	NA
+PJ062091	GSSSSSCMM 	C30H53N9O15S3	875.2824	NA	PeJP	NA	NA
+PJ062092	PCCDEFY 	C38H49N7O13S2	875.283	NA	PeJP	NA	NA
+PJ062093	GTCCCKMM 	C31H57N9O10S5	875.2832	NA	PeJP	NA	NA
+PJ062094	GDEMMMY 	C35H53N7O13S3	875.2864	NA	PeJP	NA	NA
+PJ062095	SCNDDHW 	C35H45N11O14S	875.2868	NA	PeJP	NA	NA
+PJ062096	GGSCDDHW 	C35H45N11O14S	875.2869	NA	PeJP	NA	NA
+PJ062097	PCCCQHW 	C36H49N11O9S3	875.2877	NA	PeJP	NA	NA
+PJ062098	SSSNDDDH 	C31H45N11O19	875.2894	NA	PeJP	NA	NA
+PJ062099	NNDDMMH 	C32H49N11O14S2	875.2902	NA	PeJP	NA	NA
+PJ062100	GGGGGGPPCCD 	C32H49N11O14S2	875.2903	NA	PeJP	NA	NA
+PJ062101	AMMMMMM 	C33H61N7O8S6	875.2906	NA	PeJP	NA	NA
+PJ062102	CCCNMFR 	C33H53N11O9S4	875.2911	NA	PeJP	NA	NA
+PJ062103	PNDDDDW 	C36H45N9O17	875.2934	NA	PeJP	NA	NA
+PJ062104	SSCCQYW 	C37H49N9O12S2	875.2942	NA	PeJP	NA	NA
+PJ062105	GGGGPCCYY 	C37H49N9O12S2	875.2943	NA	PeJP	NA	NA
+PJ062106	SSSSCNEY 	C33H49N9O17S	875.2967	NA	PeJP	NA	NA
+PJ062107	TDDEEMH 	C33H49N9O17S	875.2968	NA	PeJP	NA	NA
+PJ062108	DDDYYW 	C41H45N7O15	875.2974	NA	PeJP	NA	NA
+PJ062109	SCNQMMY 	C34H53N9O12S3	875.2976	NA	PeJP	NA	NA
+PJ062110	SSSSSSTCM 	C30H53N9O17S2	875.3001	NA	PeJP	NA	NA
+PJ062111	GNNNNNDD 	C30H45N13O18	875.3006	NA	PeJP	NA	NA
+PJ062112	SPCDEYY 	C38H49N7O15S	875.3008	NA	PeJP	NA	NA
+PJ062113	SSSCCKMM 	C31H57N9O12S4	875.301	NA	PeJP	NA	NA
+PJ062114	CCNDEHR 	C31H49N13O13S2	875.3015	NA	PeJP	NA	NA
+PJ062115	DMMMYW 	C39H53N7O10S3	875.3016	NA	PeJP	NA	NA
+PJ062116	PDEEEEE 	C34H49N7O20	875.3033	NA	PeJP	NA	NA
+PJ062117	SSEEMMY 	C35H53N7O15S2	875.3041	NA	PeJP	NA	NA
+PJ062118	NNDDDHF 	C35H45N11O16	875.3046	NA	PeJP	NA	NA
+PJ062119	PTCMMMY 	C36H57N7O10S4	875.305	NA	PeJP	NA	NA
+PJ062120	GCNEMHW 	C36H49N11O11S2	875.3055	NA	PeJP	NA	NA
+PJ062121	GSSNDEMH 	C32H49N11O16S	875.308	NA	PeJP	NA	NA
+PJ062122	TTMMMMM 	C33H61N7O10S5	875.3084	NA	PeJP	NA	NA
+PJ062123	SCCNMRY 	C33H53N11O11S3	875.3088	NA	PeJP	NA	NA
+PJ062124	GGSCCMRY 	C33H53N11O11S3	875.3089	NA	PeJP	NA	NA
+PJ062125	CNNDHHH 	C33H45N15O12S	875.3093	NA	PeJP	NA	NA
+PJ062126	GCCNFFW 	C41H49N9O9S2	875.3095	NA	PeJP	NA	NA
+PJ062127	GSSSSCYW 	C37H49N9O14S	875.312	NA	PeJP	NA	NA
+PJ062128	ACCCKYW 	C38H53N9O9S3	875.3129	NA	PeJP	NA	NA
+PJ062129	GSSSSSSDY 	C33H49N9O19	875.3145	NA	PeJP	NA	NA
+PJ062130	GSSSNMMY 	C34H53N9O14S2	875.3154	NA	PeJP	NA	NA
+PJ062131	SDDEHHH 	C34H45N13O15	875.3159	NA	PeJP	NA	NA
+PJ062132	DDMFYW 	C42H49N7O12S	875.316	NA	PeJP	NA	NA
+PJ062133	CCNKMMF 	C35H57N9O9S4	875.3162	NA	PeJP	NA	NA
+PJ062134	GGCCKMMF 	C35H57N9O9S4	875.3163	NA	PeJP	NA	NA
+PJ062135	GCCDHRW 	C35H49N13O10S2	875.3167	NA	PeJP	NA	NA
+PJ062136	GSEEEYY 	C38H49N7O17	875.3185	NA	PeJP	NA	NA
+PJ062137	GSSCDDHR 	C31H49N13O15S	875.3192	NA	PeJP	NA	NA
+PJ062138	GGGGGGGGGGSPC 	C31H49N13O15S	875.3193	NA	PeJP	NA	NA
+PJ062139	GPDMMYY 	C39H53N7O12S2	875.3194	NA	PeJP	NA	NA
+PJ062140	GPTCCCHR 	C32H53N13O10S3	875.3201	NA	PeJP	NA	NA
+PJ062141	MMMMFW 	C40H57N7O7S4	875.3203	NA	PeJP	NA	NA
+PJ062142	CNMHWW 	C40H49N11O8S2	875.3207	NA	PeJP	NA	NA
+PJ062143	ATEMMMY 	C36H57N7O12S3	875.3228	NA	PeJP	NA	NA
+PJ062144	SSNDMHW 	C36H49N11O13S	875.3232	NA	PeJP	NA	NA
+PJ062145	GGGGPCNEW 	C36H49N11O13S	875.3233	NA	PeJP	NA	NA
+PJ062146	PCCCKHW 	C37H53N11O8S3	875.3241	NA	PeJP	NA	NA
+PJ062147	SSSSNEEH 	C32H49N11O18	875.3257	NA	PeJP	NA	NA
+PJ062148	GSPDDDDR 	C32H49N11O18	875.3258	NA	PeJP	NA	NA
+PJ062149	GSSTCCRY 	C33H53N11O13S2	875.3266	NA	PeJP	NA	NA
+PJ062150	CNQYYW 	C41H49N9O11S	875.3272	NA	PeJP	NA	NA
+PJ062151	GGCQYYW 	C41H49N9O11S	875.3273	NA	PeJP	NA	NA
+PJ062152	SSNNEYY 	C37H49N9O16	875.3297	NA	PeJP	NA	NA
+PJ062153	SPNDEEW 	C37H49N9O16	875.3298	NA	PeJP	NA	NA
+PJ062154	SSCCKYW 	C38H53N9O11S2	875.3306	NA	PeJP	NA	NA
+PJ062155	SSSSSQMY 	C34H53N9O16S	875.3331	NA	PeJP	NA	NA
+PJ062156	GGGAPEEEM 	C34H53N9O16S	875.3332	NA	PeJP	NA	NA
+PJ062157	SEEYYW 	C42H49N7O14	875.3338	NA	PeJP	NA	NA
+PJ062158	SCNKMMY 	C35H57N9O11S3	875.334	NA	PeJP	NA	NA
+PJ062159	CNNNQHF 	C35H49N13O12S	875.3345	NA	PeJP	NA	NA
+PJ062160	DMMFFW 	C43H53N7O9S2	875.3347	NA	PeJP	NA	NA
+PJ062161	NNNDDER 	C31H49N13O17	875.337	NA	PeJP	NA	NA
+PJ062162	SSPEMYY 	C39H53N7O14S	875.3371	NA	PeJP	NA	NA
+PJ062163	AAEEMYY 	C39H53N7O14S	875.3372	NA	PeJP	NA	NA
+PJ062164	SCNEMHR 	C32H53N13O12S2	875.3378	NA	PeJP	NA	NA
+PJ062165	GGSCEMHR 	C32H53N13O12S2	875.3379	NA	PeJP	NA	NA
+PJ062166	GPMMMFY 	C40H57N7O9S3	875.338	NA	PeJP	NA	NA
+PJ062167	GSTCHWW 	C40H49N11O10S	875.3385	NA	PeJP	NA	NA
+PJ062168	TTTEMMY 	C36H57N7O14S2	875.3405	NA	PeJP	NA	NA
+PJ062169	GSSSSEHW 	C36H49N11O15	875.341	NA	PeJP	NA	NA
+PJ062170	GLMMMMY 	C37H61N7O9S4	875.3414	NA	PeJP	NA	NA
+PJ062171	PPCCDRW 	C37H53N11O10S2	875.3419	NA	PeJP	NA	NA
+PJ062172	SSSSSCRY 	C33H53N11O15S	875.3444	NA	PeJP	NA	NA
+PJ062173	GSPDEWW 	C41H49N9O13	875.345	NA	PeJP	NA	NA
+PJ062174	TCCCKRY 	C34H57N11O10S3	875.3452	NA	PeJP	NA	NA
+PJ062175	GGGGVMMMH 	C34H57N11O10S3	875.3453	NA	PeJP	NA	NA
+PJ062176	SNNMHHH 	C34H49N15O11S	875.3457	NA	PeJP	NA	NA
+PJ062177	GPPCMWW 	C42H53N9O8S2	875.3459	NA	PeJP	NA	NA
+PJ062178	GPQEEMW 	C38H53N9O13S	875.3484	NA	PeJP	NA	NA
+PJ062179	DDFFFW 	C46H49N7O11	875.349	NA	PeJP	NA	NA
+PJ062180	SCCDHRR 	C31H53N15O11S2	875.3491	NA	PeJP	NA	NA
+PJ062181	EMHHHW 	C39H49N13O9S	875.3497	NA	PeJP	NA	NA
+PJ062182	GSSSSSTTY 	C34H53N9O18	875.3509	NA	PeJP	NA	NA
+PJ062183	GSSTCKMY 	C35H57N9O13S2	875.3518	NA	PeJP	NA	NA
+PJ062184	GNNDDRW 	C35H49N13O14	875.3522	NA	PeJP	NA	NA
+PJ062185	GGGGGDDRW 	C35H49N13O14	875.3523	NA	PeJP	NA	NA
+PJ062186	VDMYYW 	C43H53N7O11S	875.3524	NA	PeJP	NA	NA
+PJ062187	PVMMMMH 	C36H61N9O8S4	875.3526	NA	PeJP	NA	NA
+PJ062188	GSCMHRW 	C36H53N13O9S2	875.3531	NA	PeJP	NA	NA
+PJ062189	GDHHHHH 	C36H45N17O10	875.3536	NA	PeJP	NA	NA
+PJ062190	CHHFFW 	C44H49N11O7S	875.3538	NA	PeJP	NA	NA
+PJ062191	ATTEEYY 	C39H53N7O16	875.3549	NA	PeJP	NA	NA
+PJ062192	PCDDDRR 	C32H53N13O14S	875.3556	NA	PeJP	NA	NA
+PJ062193	APTMMYY 	C40H57N7O11S2	875.3558	NA	PeJP	NA	NA
+PJ062194	SSSSHWW 	C40H49N11O12	875.3562	NA	PeJP	NA	NA
+PJ062195	GGNQEWW 	C40H49N11O12	875.3563	NA	PeJP	NA	NA
+PJ062196	GNMMMHR 	C33H57N13O9S3	875.3565	NA	PeJP	NA	NA
+PJ062197	PLEEEEM 	C36H57N7O16S	875.3583	NA	PeJP	NA	NA
+PJ062198	STLMMMY 	C37H61N7O11S3	875.3591	NA	PeJP	NA	NA
+PJ062199	GPDDMRW 	C37H53N11O12S	875.3596	NA	PeJP	NA	NA
+PJ062200	GGGGGGAPPCF 	C37H53N11O12S	875.3597	NA	PeJP	NA	NA
+PJ062201	SPDWWW 	C45H49N9O10	875.3603	NA	PeJP	NA	NA
+PJ062202	GQEEEER 	C33H53N11O17	875.3621	NA	PeJP	NA	NA
+PJ062203	GGGGGGKEEE 	C33H53N11O17	875.3622	NA	PeJP	NA	NA
+PJ062204	GSPPCEMR 	C34H57N11O12S2	875.363	NA	PeJP	NA	NA
+PJ062205	GSSSQHHH 	C34H49N15O13	875.3635	NA	PeJP	NA	NA
+PJ062206	PQEMWW 	C42H53N9O10S	875.3636	NA	PeJP	NA	NA
+PJ062207	GAPEMWW 	C42H53N9O10S	875.3637	NA	PeJP	NA	NA
+PJ062208	SPTQEEW 	C38H53N9O15	875.3661	NA	PeJP	NA	NA
+PJ062209	GVQEEEW 	C38H53N9O15	875.3662	NA	PeJP	NA	NA
+PJ062210	NNNNNMR 	C31H53N15O13S	875.3668	NA	PeJP	NA	NA
+PJ062211	GGGGGGNNMR 	C31H53N15O13S	875.3669	NA	PeJP	NA	NA
+PJ062212	SPPQMMW 	C39H57N9O10S2	875.367	NA	PeJP	NA	NA
+PJ062213	GPNEHHW 	C39H49N13O11	875.3675	NA	PeJP	NA	NA
+PJ062214	ACCMHRR 	C32H57N15O8S3	875.3677	NA	PeJP	NA	NA
+PJ062215	SSSSSKMY 	C35H57N9O15S	875.3695	NA	PeJP	NA	NA
+PJ062216	AAPEYYY 	C43H53N7O13	875.3702	NA	PeJP	NA	NA
+PJ062217	TCCKKMY 	C36H61N9O10S3	875.3704	NA	PeJP	NA	NA
+PJ062218	SSTCHRW 	C36H53N13O11S	875.3708	NA	PeJP	NA	NA
+PJ062219	GGSPCNRW 	C36H53N13O11S	875.3709	NA	PeJP	NA	NA
+PJ062220	VMMFYW 	C44H57N7O8S2	875.371	NA	PeJP	NA	NA
+PJ062221	GNQWWW 	C44H49N11O9	875.3715	NA	PeJP	NA	NA
+MJ096724	Taxol?; N-Debenzoyl, N-tigloyl, 10-de-Ac, 10-(3-hydroxybutanoyl) 	C47H57NO15	875.37282	NA	MeJP	NA	NA
+PJ062222	SNNQEER 	C32H53N13O16	875.3733	NA	PeJP	NA	NA
+PJ062223	GDDEERR 	C32H53N13O16	875.3734	NA	PeJP	NA	NA
+PJ062224	GTLEMYY 	C40H57N7O13S	875.3735	NA	PeJP	NA	NA
+PJ062225	SSQMMHR 	C33H57N13O11S2	875.3742	NA	PeJP	NA	NA
+PJ062226	GGGGGGPMMR 	C33H57N13O11S2	875.3743	NA	PeJP	NA	NA
+PJ062227	GLMMMFF 	C41H61N7O8S3	875.3744	NA	PeJP	NA	NA
+PJ062228	PCERWW 	C41H53N11O9S	875.3749	NA	PeJP	NA	NA
+PJ062229	VLEEEEE 	C36H57N7O18	875.376	NA	PeJP	NA	NA
+PJ062230	QEEERW 	C37H53N11O14	875.3774	NA	PeJP	NA	NA
+PJ062231	SPPCMRW 	C38H57N11O9S2	875.3782	NA	PeJP	NA	NA
+PJ062232	GSKMMHW 	C38H57N11O9S2	875.3783	NA	PeJP	NA	NA
+PJ062233	GNQHHHF 	C38H49N15O10	875.3787	NA	PeJP	NA	NA
+PJ062234	APMWWW 	C46H53N9O7S	875.3789	NA	PeJP	NA	NA
+PJ062235	SSSSLQMH 	C34H57N11O14S	875.3807	NA	PeJP	NA	NA
+PJ062236	SPQEEMR 	C34H57N11O14S	875.3808	NA	PeJP	NA	NA
+PJ062237	VQEEWW 	C42H53N9O12	875.3814	NA	PeJP	NA	NA
+PJ062238	PPNMMMR 	C35H61N11O9S3	875.3816	NA	PeJP	NA	NA
+PJ062239	SCQKHHH 	C35H53N15O10S	875.3821	NA	PeJP	NA	NA
+PJ062240	PNHHWW 	C43H49N13O8	875.3827	NA	PeJP	NA	NA
+PJ062241	GGPHHWW 	C43H49N13O8	875.3828	NA	PeJP	NA	NA
+PJ062242	SNNDDRR 	C31H53N15O15	875.3846	NA	PeJP	NA	NA
+PJ062243	GPKEEMW 	C39H57N9O12S	875.3848	NA	PeJP	NA	NA
+PJ062244	PTFYYW 	C47H53N7O10	875.3854	NA	PeJP	NA	NA
+PJ062245	SSCMHRR 	C32H57N15O10S2	875.3855	NA	PeJP	NA	NA
+PJ062246	CQHFRW 	C40H53N13O8S	875.3861	NA	PeJP	NA	NA
+PJ062247	VNKEEEE 	C35H57N9O17	875.3873	NA	PeJP	NA	NA
+PJ062248	PLQQEMM 	C36H61N9O12S2	875.3881	NA	PeJP	NA	NA
+PJ062249	GSPPKEMM 	C36H61N9O12S2	875.3882	NA	PeJP	NA	NA
+PJ062250	DDERRW 	C36H53N13O13	875.3886	NA	PeJP	NA	NA
+PJ062251	TLMYYW 	C44H57N7O10S	875.3888	NA	PeJP	NA	NA
+PJ062252	ALMMHHH 	C37H57N13O8S2	875.3895	NA	PeJP	NA	NA
+PJ062253	ATHHHHH 	C37H49N17O9	875.39	NA	PeJP	NA	NA
+PJ062254	STTLEYY 	C40H57N7O15	875.3913	NA	PeJP	NA	NA
+PJ062255	SPDDMRR 	C33H57N13O13S	875.392	NA	PeJP	NA	NA
+PJ062256	GVLMMYY 	C41H61N7O10S2	875.3922	NA	PeJP	NA	NA
+PJ062257	AEERWW 	C41H53N11O11	875.3926	NA	PeJP	NA	NA
+PJ062258	GGGGKEWW 	C41H53N11O11	875.3927	NA	PeJP	NA	NA
+PJ062259	ACKMMHR 	C34H61N13O8S3	875.3929	NA	PeJP	NA	NA
+PJ062260	GPTEMRW 	C38H57N11O11S	875.396	NA	PeJP	NA	NA
+PJ062261	GLEWWW 	C46H53N9O9	875.3967	NA	PeJP	NA	NA
+PJ062262	GKEEEER 	C34H57N11O16	875.3985	NA	PeJP	NA	NA
+PJ062263	PVNEMMR 	C35H61N11O11S2	875.3994	NA	PeJP	NA	NA
+PJ062264	SPNEHHR 	C35H53N15O12	875.3998	NA	PeJP	NA	NA
+PJ062265	GGSPEHHR 	C35H53N15O12	875.3999	NA	PeJP	NA	NA
+PJ062266	PKEMWW 	C43H57N9O9S	875.4	NA	PeJP	NA	NA
+PJ062267	GVKEEEW 	C39H57N9O14	875.4025	NA	PeJP	NA	NA
+2798	peptide toxic from alpha-gliadin	YPQPQPF	875.403	NA	Inhouse_peptide	NA	peptide
+PJ062268	GNNEMRR 	C32H57N15O12S	875.4032	NA	PeJP	NA	NA
+PJ062269	GGGGGGGACKR 	C32H57N15O12S	875.4033	NA	PeJP	NA	NA
+PJ062270	SPPKMMW 	C40H61N9O9S2	875.4034	NA	PeJP	NA	NA
+PJ062271	SNQRWW 	C40H53N13O10	875.4039	NA	PeJP	NA	NA
+PJ062272	VMFFFW 	C48H57N7O7S	875.4041	NA	PeJP	NA	NA
+PJ062273	PDKKEEM 	C36H61N9O14S	875.4059	NA	PeJP	NA	NA
+PJ062274	GPTLYYY 	C44H57N7O12	875.4065	NA	PeJP	NA	NA
+PJ062275	AALEFYY 	C44H57N7O12	875.4066	NA	PeJP	NA	NA
+PJ062276	TLLMMMH 	C37H65N9O9S3	875.4068	NA	PeJP	NA	NA
+PJ062277	QQQMRW 	C37H57N13O10S	875.4072	NA	PeJP	NA	NA
+PJ062278	GGAAQMRW 	C37H57N13O10S	875.4073	NA	PeJP	NA	NA
+PJ062279	GNKWWW 	C45H53N11O8	875.4079	NA	PeJP	NA	NA
+PJ062280	SVDDERR 	C33H57N13O15	875.4097	NA	PeJP	NA	NA
+PJ062281	GTEEERR 	C33H57N13O15	875.4098	NA	PeJP	NA	NA
+PJ062282	SSLLMYY 	C41H61N7O12S	875.4099	NA	PeJP	NA	NA
+PJ062283	GPEMMRR 	C34H61N13O10S2	875.4106	NA	PeJP	NA	NA
+PJ062284	GNQQHHR 	C34H53N17O11	875.4111	NA	PeJP	NA	NA
+PJ062285	PTMRWW 	C42H57N11O8S	875.4113	NA	PeJP	NA	NA
+PJ062286	LWWWW 	C50H53N9O6	875.4119	NA	PeJP	NA	NA
+PJ062287	KEEERW 	C38H57N11O13	875.4138	NA	PeJP	NA	NA
+PJ062288	GCNDRRR 	C31H57N17O11S	875.4145	NA	PeJP	NA	NA
+PJ062289	GPVMMRW 	C39H61N11O8S2	875.4146	NA	PeJP	NA	NA
+PJ062290	GSPHHRW 	C39H53N15O9	875.4151	NA	PeJP	NA	NA
+PJ062291	SPKEEMR 	C35H61N11O13S	875.4171	NA	PeJP	NA	NA
+PJ062292	GAALEEMR 	C35H61N11O13S	875.4172	NA	PeJP	NA	NA
+PJ062293	VKEEWW 	C43H57N9O11	875.4178	NA	PeJP	NA	NA
+PJ062294	AKKMMMH 	C36H65N11O8S3	875.418	NA	PeJP	NA	NA
+PJ062295	NNMRRW 	C36H57N15O9S	875.4185	NA	PeJP	NA	NA
+PJ062296	LHHHFW 	C44H53N13O7	875.4191	NA	PeJP	NA	NA
+PJ062297	SSNQERR 	C32H57N15O14	875.421	NA	PeJP	NA	NA
+PJ062298	ATCKKYY 	C40H61N9O11S	875.4211	NA	PeJP	NA	NA
+PJ062299	SPVKEMW 	C40H61N9O11S	875.4212	NA	PeJP	NA	NA
+PJ062300	VVFYYW 	C48H57N7O9	875.4218	NA	PeJP	NA	NA
+PJ062301	GGPCCKRR 	C33H61N15O9S2	875.4219	NA	PeJP	NA	NA
+PJ062302	CKHFRW 	C41H57N13O7S	875.4225	NA	PeJP	NA	NA
+PJ062303	SSSSPPTTL 	C36H61N9O16	875.4236	NA	PeJP	NA	NA
+PJ062304	VDKKEEE 	C36H61N9O16	875.4237	NA	PeJP	NA	NA
+PJ062305	PLQKEMM 	C37H65N9O11S2	875.4245	NA	PeJP	NA	NA
+PJ062306	TEERRW 	C37H57N13O12	875.425	NA	PeJP	NA	NA
+PJ062307	GVLMFFY 	C45H61N7O9S	875.4252	NA	PeJP	NA	NA
+PJ062308	PMMRRW 	C38H61N13O7S2	875.4259	NA	PeJP	NA	NA
+PJ062309	PLLEEEF 	C41H61N7O14	875.4277	NA	PeJP	NA	NA
+PJ062310	GVEEMRR 	C34H61N13O12S	875.4284	NA	PeJP	NA	NA
+PJ062311	SLERWW 	C42H57N11O10	875.429	NA	PeJP	NA	NA
+PJ062312	APCHHRR 	C35H57N17O8S	875.4297	NA	PeJP	NA	NA
+PJ062313	LLLEEEM 	C38H65N7O14S	875.4311	NA	PeJP	NA	NA
+PJ062314	AALEMRW 	C39H61N11O10S	875.4324	NA	PeJP	NA	NA
+PJ062315	SVLWWW 	C47H57N9O8	875.433	NA	PeJP	NA	NA
+PJ062316	GAPLFWW 	C47H57N9O8	875.4331	NA	PeJP	NA	NA
+PJ062317	SVKEEER 	C35H61N11O15	875.4349	NA	PeJP	NA	NA
+PJ062318	PVDKMMR 	C36H65N11O10S2	875.4358	NA	PeJP	NA	NA
+PJ062319	GSSQRRW 	C36H57N15O11	875.4362	NA	PeJP	NA	NA
+PJ062320	GGGGGPRRY 	C36H57N15O11	875.4363	NA	PeJP	NA	NA
+PJ062321	LLQMWW 	C44H61N9O8S	875.4364	NA	PeJP	NA	NA
+PJ062322	ATLKEEW 	C40H61N9O13	875.4389	NA	PeJP	NA	NA
+PJ062323	EEMRRR 	C33H61N15O11S	875.4396	NA	PeJP	NA	NA
+PJ062324	APLKMMW 	C41H65N9O8S2	875.4398	NA	PeJP	NA	NA
+PJ062325	SNKRWW 	C41H57N13O9	875.4403	NA	PeJP	NA	NA
+PJ062326	VLQKEEM 	C37H65N9O13S	875.4423	NA	PeJP	NA	NA
+PJ062327	AALLYYY 	C45H61N7O11	875.4429	NA	PeJP	NA	NA
+PJ062328	VEMRRW 	C38H61N13O9S	875.4436	NA	PeJP	NA	NA
+PJ062329	SSLEERR 	C34H61N13O14	875.4461	NA	PeJP	NA	NA
+PJ062330	GGGGGGGTTKK 	C34H61N13O14	875.4462	NA	PeJP	NA	NA
+PJ062331	SPVMMRR 	C35H65N13O9S2	875.447	NA	PeJP	NA	NA
+PJ062332	AAEHHRR 	C35H57N17O10	875.4475	NA	PeJP	NA	NA
+PJ062333	VVMRWW 	C43H61N11O7S	875.4477	NA	PeJP	NA	NA
+PJ062334	ATTLERW 	C39H61N11O12	875.4501	NA	PeJP	NA	NA
+PJ062335	GGATKKEW 	C39H61N11O12	875.4502	NA	PeJP	NA	NA
+PJ062336	GSNMRRR 	C32H61N17O10S	875.4508	NA	PeJP	NA	NA
+PJ062337	GGGSMRRR 	C32H61N17O10S	875.4509	NA	PeJP	NA	NA
+PJ062338	LQHHRW 	C40H57N15O8	875.4515	NA	PeJP	NA	NA
+PJ062339	ALKEEMR 	C36H65N11O12S	875.4535	NA	PeJP	NA	NA
+PJ062340	GTTLLWW 	C44H61N9O10	875.4542	NA	PeJP	NA	NA
+PJ062341	CQKRRW 	C37H61N15O8S	875.4549	NA	PeJP	NA	NA
+PJ062342	STTQQRR 	C33H61N15O13	875.4573	NA	PeJP	NA	NA
+PJ062343	SSNKERR 	C33H61N15O13	875.4574	NA	PeJP	NA	NA
+PJ062344	VVVDKMW 	C41H65N9O10S	875.4575	NA	PeJP	NA	NA
+PJ062345	GLLKEMW 	C41H65N9O10S	875.4576	NA	PeJP	NA	NA
+PJ062346	GVLFFFF 	C49H61N7O8	875.4582	NA	PeJP	NA	NA
+PJ062347	DHHRRR 	C34H57N19O9	875.4587	NA	PeJP	NA	NA
+PJ062348	ASTLLDKE 	C37H65N9O15	875.46	NA	PeJP	NA	NA
+PJ062349	TLKKEEE 	C37H65N9O15	875.4601	NA	PeJP	NA	NA
+PJ062350	PLKKEMM 	C38H69N9O10S2	875.4609	NA	PeJP	NA	NA
+PJ062351	GSDKKRW 	C38H61N13O11	875.4614	NA	PeJP	NA	NA
+PJ062352	PLLLEEY 	C42H65N7O13	875.4641	NA	PeJP	NA	NA
+PJ062353	SVQQKMR 	C35H65N13O11S	875.4647	NA	PeJP	NA	NA
+PJ062354	ATLEMRR 	C35H65N13O11S	875.4648	NA	PeJP	NA	NA
+PJ062355	TQKKWW 	C43H61N11O9	875.4654	NA	PeJP	NA	NA
+PJ062356	SSSQRRR 	C32H61N17O12	875.4686	NA	PeJP	NA	NA
+PJ062357	GTLLMRW 	C40H65N11O9S	875.4688	NA	PeJP	NA	NA
+PJ062358	PLKFWW 	C48H61N9O7	875.4694	NA	PeJP	NA	NA
+PJ062359	TTLKEER 	C36H65N11O14	875.4713	NA	PeJP	NA	NA
+PJ062360	VVLQMMR 	C37H69N11O9S2	875.4721	NA	PeJP	NA	NA
+PJ062361	PTLKMMR 	C37H69N11O9S2	875.4722	NA	PeJP	NA	NA
+PJ062362	GSSKRRW 	C37H61N15O10	875.4726	NA	PeJP	NA	NA
+PJ062363	LLKMWW 	C45H65N9O7S	875.4728	NA	PeJP	NA	NA
+PJ062364	STLLKEW 	C41H65N9O12	875.4753	NA	PeJP	NA	NA
+PJ062365	GTQKMRR 	C34H65N15O10S	875.476	NA	PeJP	NA	NA
+PJ062366	PVRRYW 	C42H61N13O8	875.4766	NA	PeJP	NA	NA
+PJ062367	GVLKHHW 	C42H61N13O8	875.4767	NA	PeJP	NA	NA
+PJ062368	VLKKEEM 	C38H69N9O12S	875.4787	NA	PeJP	NA	NA
+PJ062369	QKKMRW 	C39H65N13O8S	875.48	NA	PeJP	NA	NA
+PJ062370	TTTLERR 	C35H65N13O13	875.4825	NA	PeJP	NA	NA
+PJ062371	GLLMMRR 	C36H69N13O8S2	875.4834	NA	PeJP	NA	NA
+PJ062372	NQFRRR 	C36H61N17O9	875.4839	NA	PeJP	NA	NA
+PJ062373	STTLLRW 	C40H65N11O11	875.4865	NA	PeJP	NA	NA
+PJ062374	GGGGPLKKY 	C40H65N11O11	875.4866	NA	PeJP	NA	NA
+PJ062375	GTCKRRR 	C33H65N17O9S	875.4872	NA	PeJP	NA	NA
+PJ062376	LKHHRW 	C41H61N15O7	875.4879	NA	PeJP	NA	NA
+PJ062377	SLLKEMR 	C37H69N11O11S	875.4899	NA	PeJP	NA	NA
+PJ062378	GPLLKYW 	C45H65N9O9	875.4906	NA	PeJP	NA	NA
+PJ062379	CKKRRW 	C38H65N15O7S	875.4913	NA	PeJP	NA	NA
+PJ062380	SSDKKRR 	C34H65N15O12	875.4937	NA	PeJP	NA	NA
+PJ062381	GGTTTKRR 	C34H65N15O12	875.4938	NA	PeJP	NA	NA
+PJ062382	SVLLKMW 	C42H69N9O9S	875.4939	NA	PeJP	NA	NA
+PJ062383	SSSLLLKE 	C38H69N9O14	875.4964	NA	PeJP	NA	NA
+PJ062384	LLLQKMM 	C39H73N9O9S2	875.4973	NA	PeJP	NA	NA
+PJ062385	GTTKKRW 	C39H65N13O10	875.4978	NA	PeJP	NA	NA
+PJ062386	LLLLEEF 	C43H69N7O12	875.5005	NA	PeJP	NA	NA
+PJ062387	STLLMRR 	C36H69N13O10S	875.5011	NA	PeJP	NA	NA
+PJ062388	GKKKEMR 	C36H69N13O10S	875.5012	NA	PeJP	NA	NA
+PJ062389	TKKKWW 	C44H65N11O8	875.5018	NA	PeJP	NA	NA
+PJ062390	SSSKRRR 	C33H65N17O11	875.505	NA	PeJP	NA	NA
+PJ062391	GVKKKMW 	C41H69N11O8S	875.5052	NA	PeJP	NA	NA
+PJ062392	SSSTLLLR 	C37H69N11O13	875.5077	NA	PeJP	NA	NA
+PJ062393	VVLKMMR 	C38H73N11O8S2	875.5085	NA	PeJP	NA	NA
+PJ062394	LEFRRR 	C38H65N15O9	875.509	NA	PeJP	NA	NA
+PJ062395	PVLKKEY 	C42H69N9O11	875.5117	NA	PeJP	NA	NA
+PJ062396	GTKKMRR 	C35H69N15O9S	875.5124	NA	PeJP	NA	NA
+PJ062397	VLFRRW 	C43H65N13O7	875.513	NA	PeJP	NA	NA
+PJ062398	GTTLLLKM 	C39H73N9O11S	875.5151	NA	PeJP	NA	NA
+MJ096725	BZR-Cotoxin IV 	C47H69N7O9	875.515676	NA	MeJP	NA	NA
+PJ062399	KKKMRW 	C40H69N13O7S	875.5164	NA	PeJP	NA	NA
+PJ062400	STKKKER 	C36H69N13O12	875.5189	NA	PeJP	NA	NA
+PJ062401	NKFRRR 	C37H65N17O8	875.5202	NA	PeJP	NA	NA
+PJ062402	GGKFRRR 	C37H65N17O8	875.5203	NA	PeJP	NA	NA
+PJ062403	SSLKKKW 	C41H69N11O10	875.5229	NA	PeJP	NA	NA
+PJ062404	VDKKKKM 	C38H73N11O10S	875.5263	NA	PeJP	NA	NA
+PJ062405	AVLLKFW 	C46H69N9O8	875.5269	NA	PeJP	NA	NA
+PJ062406	GLLLKFW 	C46H69N9O8	875.527	NA	PeJP	NA	NA
+PJ062407	STTKKRR 	C35H69N15O11	875.5301	NA	PeJP	NA	NA
+PJ062408	PLLKKMF 	C43H73N9O8S	875.5303	NA	PeJP	NA	NA
+PJ062409	STTTLLLK 	C39H73N9O13	875.5328	NA	PeJP	NA	NA
+PJ062410	LLLKKMM 	C40H77N9O8S2	875.5337	NA	PeJP	NA	NA
+PJ062411	GVLLRRY 	C40H69N13O9	875.5342	NA	PeJP	NA	NA
+PJ062412	LLLLLEY 	C44H73N7O11	875.5368	NA	PeJP	NA	NA
+PJ062413	SVKKKMR 	C37H73N13O9S	875.5375	NA	PeJP	NA	NA
+PJ062414	ASTTLKKK 	C38H73N11O12	875.544	NA	PeJP	NA	NA
+PJ062415	GTTTLKKK 	C38H73N11O12	875.5441	NA	PeJP	NA	NA
+PJ062416	LLRRRY 	C39H69N15O8	875.5454	NA	PeJP	NA	NA
+PJ062417	VLLLQKY 	C43H73N9O10	875.5481	NA	PeJP	NA	NA
+PJ062418	ALLLKRY 	C42H73N11O9	875.5593	NA	PeJP	NA	NA
+PJ062419	TLKKKKM 	C39H77N11O9S	875.5627	NA	PeJP	NA	NA
+EUR1027	PC 40:8 [M+FA-H]-	C48H80NO8P	875.567037	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1027	PC 40:8 [M+FA-H]-	C48H80NO8P	875.567037	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1027	PC 40:8 [M+FA-H]-	C48H80NO8P	875.567037	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1027	PC 40:8 [M+FA-H]-	C48H80NO8P	875.567037	masses lipides attendues	Inhousejuil11	NA	NA
+PJ062420	AVKKKFR 	C41H73N13O8	875.5705	NA	PeJP	NA	NA
+PJ062421	GLKKKFR 	C41H73N13O8	875.5706	NA	PeJP	NA	NA
+PJ062422	VLLLKKY 	C44H77N9O9	875.5845	NA	PeJP	NA	NA
+PJ062423	VVKKKKF 	C43H77N11O8	875.5957	NA	PeJP	NA	NA
+HMDB09641	PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	C51H90NO8P	875.640381	NA	HMDB2010	NA	NA
+HMDB09674	PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	C51H90NO8P	875.640381	NA	HMDB2010	NA	NA
+HMDB09706	PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	C51H90NO8P	875.640381	NA	HMDB2010	NA	NA
+HMDB09738	PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C51H90NO8P	875.640381	NA	HMDB2010	NA	NA
+HMDB09769	PE(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C51H90NO8P	875.640381	NA	HMDB2010	NA	NA
+HMDB09770	PE(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C51H90NO8P	875.640381	NA	HMDB2010	NA	NA
+HMDB13450	PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H94NO7P	875.676819	NA	HMDB2010	NA	NA
+HMDB13457	PC(o-22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))	C52H94NO7P	875.676819	NA	HMDB2010	NA	NA
+EUR1118	SM(d18:1/24:0) [M-H+acetate]-	C47H96N2O6P	875.721701	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1118	SM(d18:1/24:0) [M-H+acetate]-	C47H96N2O6P	875.721701	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1118	SM(d18:1/24:0) [M-H+acetate]-	C47H96N2O6P	875.721701	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1118	SM(d18:1/24:0) [M-H+acetate]-	C47H96N2O6P	875.721701	masses lipides attendues	Inhousejuil11	NA	NA
+MJ096726	?-(Dimethylamino)-3,5-diiodo-N-[5-[[3-(3-iodo-4-methoxyphenyl)-2-(methylamino)-1-oxopropyl]amino]pentyl]-4-methoxybenzenepropanamide 	C28H39I3N4O4	876.010536	NA	MeJP	NA	NA
+PJ062424	CCCCCCCH 	C27H44N10O9S7	876.1338	NA	PeJP	NA	NA
+PJ062425	CCCCCNND 	C27H44N10O13S5	876.1693	NA	PeJP	NA	NA
+PJ062426	SCCCCDDE 	C28H44N8O16S4	876.1758	NA	PeJP	NA	NA
+PJ062427	TCCCCDDD 	C28H44N8O16S4	876.1759	NA	PeJP	NA	NA
+PJ062428	PCCCCCDM 	C29H48N8O11S6	876.1767	NA	PeJP	NA	NA
+PJ062429	GCCCDDMM 	C29H48N8O13S5	876.1945	NA	PeJP	NA	NA
+PJ062430	SCCCCNNM 	C28H48N10O12S5	876.2057	NA	PeJP	NA	NA
+PJ062431	GCCCDDDF 	C32H44N8O15S3	876.2089	NA	PeJP	NA	NA
+PJ062432	CCCCEMW 	C33H48N8O10S5	876.2097	NA	PeJP	NA	NA
+PJ062433	SSCCCDEM 	C29H48N8O15S4	876.2122	NA	PeJP	NA	NA
+PJ062434	SPCCCCMM 	C30H52N8O10S6	876.2131	NA	PeJP	NA	NA
+PJ062435	GCCCCDHH 	C30H44N12O11S4	876.2136	NA	PeJP	NA	NA
+PJ062436	GSSSCCCCQ 	C28H48N10O14S4	876.2235	NA	PeJP	NA	NA
+PJ062437	GSCCDDDY 	C32H44N8O17S2	876.2266	NA	PeJP	NA	NA
+PJ062438	GPCCCCEY 	C33H48N8O12S4	876.2275	NA	PeJP	NA	NA
+PJ062439	GSCCDMMM 	C30H52N8O12S5	876.2309	NA	PeJP	NA	NA
+FL5FACGL0076	Quercetin 3-(3'''-benzoylsophoroside)-7-rhamnoside	C40H44O22	876.23242	88064-46-4	knapsack	NA	NA
+FL5FACGS0113	Quercetin 3-rutinoside-7-(6''-benzoylglucoside);7-[(6-O-Benzoyl-beta-D-glucopyranosyl)oxy]-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C40H44O22	876.23242	351217-48-6	knapsack	NA	NA
+MJ096727	Sweroside; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2'-O-(2,3-dihydroxybenzoyl), 3',6'-di-Ac 	C40H44O22	876.232423	NA	MeJP	NA	NA
+MJ096728	Sweroside; 4'-O-[?-D-glucopyranosyl-(?2)-2,3-dihydroxybenzoyl], 2'-O-(2,3-dihydroxybenzoyl), 3',6'-di-Ac 	C40H44O22	876.232423	NA	MeJP	NA	NA
+MJ096729	Vincetoxicoside B; 3-O-[3-O-Benzoyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C40H44O22	876.232423	NA	MeJP	NA	NA
+PJ062440	GCCCCNQF 	C32H48N10O11S4	876.2387	NA	PeJP	NA	NA
+PJ062441	SSSSSCCCN 	C28H48N10O16S3	876.2412	NA	PeJP	NA	NA
+PJ062442	SCCCCCQK 	C29H52N10O11S5	876.2421	NA	PeJP	NA	NA
+PJ062443	PCCCCYW 	C37H48N8O9S4	876.2427	NA	PeJP	NA	NA
+PJ062444	CCNDEMY 	C33H48N8O14S3	876.2452	NA	PeJP	NA	NA
+PJ062445	GGCCDEMY 	C33H48N8O14S3	876.2453	NA	PeJP	NA	NA
+PJ062446	TCCCMMW 	C34H52N8O9S5	876.2461	NA	PeJP	NA	NA
+PJ062447	SSSCCEMM 	C30H52N8O14S4	876.2486	NA	PeJP	NA	NA
+PJ062448	GCCNNDDH 	C30H44N12O15S2	876.2491	NA	PeJP	NA	NA
+PJ062449	CCQMMMM 	C31H56N8O9S6	876.2495	NA	PeJP	NA	NA
+PJ062450	GSCCCMHH 	C31H48N12O10S4	876.25	NA	PeJP	NA	NA
+PJ062451	GSCDDDEH 	C31H44N10O18S	876.2556	NA	PeJP	NA	NA
+PJ062452	CCCDDRY 	C32H48N10O13S3	876.2565	NA	PeJP	NA	NA
+PJ062453	GSSSCCCCK 	C29H52N10O13S4	876.2599	NA	PeJP	NA	NA
+PJ062454	GCCDMYW 	C37H48N8O11S3	876.2605	NA	PeJP	NA	NA
+PJ062455	CCCMMMR 	C30H56N10O8S6	876.2607	NA	PeJP	NA	NA
+PJ062456	APDDDDDD 	C32H44N8O21	876.2621	NA	PeJP	NA	NA
+PJ062457	GPDDDDDE 	C32H44N8O21	876.2622	NA	PeJP	NA	NA
+MJ096730	Rivulotririn C 	C48H44O16	876.262935	NA	MeJP	NA	NA
+PJ062458	GSSCDDMY 	C33H48N8O16S2	876.263	NA	PeJP	NA	NA
+PJ062459	GPTCCCMY 	C34H52N8O11S4	876.2639	NA	PeJP	NA	NA
+PJ062460	GSSCMMMM 	C31H56N8O11S5	876.2672	NA	PeJP	NA	NA
+PJ062461	SSTCCCHH 	C31H48N12O12S3	876.2677	NA	PeJP	NA	NA
+PJ062462	SCDDDHW 	C35H44N10O15S	876.2709	NA	PeJP	NA	NA
+PJ062463	PCCCEHW 	C36H48N10O10S3	876.2717	NA	PeJP	NA	NA
+PJ062464	SSSDDDDH 	C31H44N10O20	876.2734	NA	PeJP	NA	NA
+PJ062465	SSSCCNNY 	C32H48N10O15S2	876.2742	NA	PeJP	NA	NA
+PJ062466	GGDDDMMH 	C32H48N10O15S2	876.2743	NA	PeJP	NA	NA
+PJ062467	CCCDMFR 	C33H52N10O10S4	876.2751	NA	PeJP	NA	NA
+PJ062468	PDDDDDW 	C36H44N8O18	876.2774	NA	PeJP	NA	NA
+PJ062469	SSCCEYW 	C37H48N8O13S2	876.2782	NA	PeJP	NA	NA
+PJ062470	PCCNDYY 	C37H48N8O13S2	876.2783	NA	PeJP	NA	NA
+PJ062471	SCCCCCKK 	C30H56N10O10S5	876.2785	NA	PeJP	NA	NA
+PJ062472	GCCMMFW 	C38H52N8O8S4	876.2791	NA	PeJP	NA	NA
+PJ062473	SSSSCDEY 	C33H48N8O18S	876.2808	NA	PeJP	NA	NA
+PJ062474	SCNEMMY 	C34H52N8O13S3	876.2816	NA	PeJP	NA	NA
+PJ062475	CCYYYY 	C42H48N6O11S2	876.2823	NA	PeJP	NA	NA
+PJ062476	CCCQHHF 	C35H48N12O9S3	876.283	NA	PeJP	NA	NA
+PJ062477	GNNNNDDD 	C30H44N12O19	876.2846	NA	PeJP	NA	NA
+PJ062478	SSSTCMMM 	C31H56N8O13S4	876.285	NA	PeJP	NA	NA
+PJ062479	CCDDEHR 	C31H48N12O14S2	876.2855	NA	PeJP	NA	NA
+PJ062480	CCKMMMM 	C32H60N8O8S6	876.2859	NA	PeJP	NA	NA
+PJ062481	NDDDDHF 	C35H44N10O17	876.2886	NA	PeJP	NA	NA
+PJ062482	GCDEMHW 	C36H48N10O12S2	876.2895	NA	PeJP	NA	NA
+PJ062483	GSSDDEMH 	C32H48N10O17S	876.292	NA	PeJP	NA	NA
+PJ062484	SCCDMRY 	C33H52N10O12S3	876.2929	NA	PeJP	NA	NA
+PJ062485	CNDDHHH 	C33H44N14O13S	876.2933	NA	PeJP	NA	NA
+PJ062486	GGCDDHHH 	C33H44N14O13S	876.2934	NA	PeJP	NA	NA
+PJ062487	GCCDFFW 	C41H48N8O10S2	876.2935	NA	PeJP	NA	NA
+PJ062488	GNDDMYY 	C37H48N8O15S	876.296	NA	PeJP	NA	NA
+PJ062489	GSCMMYW 	C38H52N8O10S3	876.2969	NA	PeJP	NA	NA
+PJ062490	GSPDDEEE 	C33H48N8O20	876.2985	NA	PeJP	NA	NA
+PJ062491	GSSSDMMY 	C34H52N8O15S2	876.2994	NA	PeJP	NA	NA
+PJ062492	ACQMMMY 	C35H56N8O10S4	876.3002	NA	PeJP	NA	NA
+PJ062493	GNMMMMY 	C35H56N8O10S4	876.3003	NA	PeJP	NA	NA
+PJ062494	SCCNQHW 	C35H48N12O11S2	876.3007	NA	PeJP	NA	NA
+PJ062495	SSSCNNEH 	C31H48N12O16S	876.3032	NA	PeJP	NA	NA
+PJ062496	GGGGGGSPCND 	C31H48N12O16S	876.3033	NA	PeJP	NA	NA
+PJ062497	CNNQMMH 	C32H52N12O11S3	876.3041	NA	PeJP	NA	NA
+PJ062498	CDMHWW 	C40H48N10O9S2	876.3048	NA	PeJP	NA	NA
+MJ096731	Trioxacarcin A 	C42H52O20	876.305194	NA	MeJP	NA	NA
+PJ062499	SCNNNYY 	C36H48N10O14S	876.3072	NA	PeJP	NA	NA
+PJ062500	SSDDMHW 	C36H48N10O14S	876.3073	NA	PeJP	NA	NA
+PJ062501	PTCCMHW 	C37H52N10O9S3	876.3081	NA	PeJP	NA	NA
+PJ062502	NNNEEEE 	C32H48N10O19	876.3097	NA	PeJP	NA	NA
+PJ062503	SSSSDEEH 	C32H48N10O19	876.3098	NA	PeJP	NA	NA
+PJ062504	SNEEMMH 	C33H52N10O14S2	876.3106	NA	PeJP	NA	NA
+PJ062505	CNEYYW 	C41H48N8O12S	876.3113	NA	PeJP	NA	NA
+PJ062506	ACCMMRY 	C34H56N10O9S4	876.3115	NA	PeJP	NA	NA
+PJ062507	GSPCCHHH 	C34H48N14O10S2	876.312	NA	PeJP	NA	NA
+PJ062508	SPDDEEW 	C37H48N8O17	876.3138	NA	PeJP	NA	NA
+PJ062509	GCNNNNNQ 	C30H48N14O15S	876.3145	NA	PeJP	NA	NA
+PJ062510	SSTCMYW 	C38H52N8O12S2	876.3146	NA	PeJP	NA	NA
+PJ062511	PPCDEMW 	C38H52N8O12S2	876.3147	NA	PeJP	NA	NA
+PJ062512	CCNNMHR 	C31H52N14O10S3	876.3153	NA	PeJP	NA	NA
+PJ062513	GGGGCCMHR 	C31H52N14O10S3	876.3154	NA	PeJP	NA	NA
+PJ062514	SSSSSEMY 	C34H52N8O17S	876.3171	NA	PeJP	NA	NA
+PJ062515	PNEEEEM 	C34H52N8O17S	876.3172	NA	PeJP	NA	NA
+PJ062516	SSQMMMY 	C35H56N8O12S3	876.318	NA	PeJP	NA	NA
+PJ062517	GSSSCNHW 	C35H48N12O13S	876.3185	NA	PeJP	NA	NA
+PJ062518	CCCKHHF 	C36H52N12O8S3	876.3194	NA	PeJP	NA	NA
+PJ062519	NNDDDER 	C31H48N12O18	876.321	NA	PeJP	NA	NA
+PJ062520	SCDEMHR 	C32H52N12O13S2	876.3219	NA	PeJP	NA	NA
+PJ062521	GPCNDWW 	C40H48N10O11S	876.3225	NA	PeJP	NA	NA
+PJ062522	PCCMMHR 	C33H56N12O8S4	876.3227	NA	PeJP	NA	NA
+PJ062523	GNNEEEW 	C36H48N10O16	876.325	NA	PeJP	NA	NA
+PJ062524	GSEMMHW 	C37H52N10O11S2	876.3259	NA	PeJP	NA	NA
+PJ062525	GCYYWW 	C45H48N8O9S	876.3265	NA	PeJP	NA	NA
+PJ062526	PDDDEMR 	C33H52N10O16S	876.3284	NA	PeJP	NA	NA
+PJ062527	GSSDYYW 	C41H48N8O14	876.329	NA	PeJP	NA	NA
+PJ062528	SSCMMRY 	C34H56N10O11S3	876.3292	NA	PeJP	NA	NA
+PJ062529	GAAEMMMH 	C34H56N10O11S3	876.3293	NA	PeJP	NA	NA
+PJ062530	SNDMHHH 	C34H48N14O12S	876.3297	NA	PeJP	NA	NA
+PJ062531	CQMFYW 	C42H52N8O9S2	876.3299	NA	PeJP	NA	NA
+PJ062532	SSNNNNNN 	C30H48N14O17	876.3322	NA	PeJP	NA	NA
+PJ062533	GGGGGGGGGGSSN 	C30H48N14O17	876.3323	NA	PeJP	NA	NA
+PJ062534	GPEEEMW 	C38H52N8O14S	876.3324	NA	PeJP	NA	NA
+PJ062535	GSSCCQHR 	C31H52N14O12S2	876.3331	NA	PeJP	NA	NA
+PJ062536	GNMMMFF 	C39H56N8O9S3	876.3333	NA	PeJP	NA	NA
+PJ062537	GCNNHFW 	C39H48N12O10S	876.3337	NA	PeJP	NA	NA
+PJ062538	GGGCNHFW 	C39H48N12O10S	876.3338	NA	PeJP	NA	NA
+PJ062539	VNEEEEE 	C34H52N8O19	876.3349	NA	PeJP	NA	NA
+PJ062540	GSSTTMMY 	C35H56N8O14S2	876.3358	NA	PeJP	NA	NA
+PJ062541	SNNNNEW 	C35H48N12O15	876.3362	NA	PeJP	NA	NA
+PJ062542	GNDDDRW 	C35H48N12O15	876.3363	NA	PeJP	NA	NA
+PJ062543	ACKMMMY 	C36H60N8O9S4	876.3366	NA	PeJP	NA	NA
+PJ062544	PPPVCCMM 	C36H60N8O9S4	876.3367	NA	PeJP	NA	NA
+PJ062545	SCCNKHW 	C36H52N12O10S2	876.3371	NA	PeJP	NA	NA
+PJ062546	GSPCNDER 	C32H52N12O15S	876.3396	NA	PeJP	NA	NA
+PJ062547	GGGGGGGGAAEM 	C32H52N12O15S	876.3397	NA	PeJP	NA	NA
+PJ062548	NNEEWW 	C40H48N10O13	876.3403	NA	PeJP	NA	NA
+PJ062549	GDMMMHR 	C33H56N12O10S3	876.3405	NA	PeJP	NA	NA
+PJ062550	SMMHWW 	C41H52N10O8S2	876.3411	NA	PeJP	NA	NA
+PJ062551	SSTEMHW 	C37H52N10O13S	876.3436	NA	PeJP	NA	NA
+PJ062552	GGGGSPEMW 	C37H52N10O13S	876.3437	NA	PeJP	NA	NA
+PJ062553	AAMMMHW 	C38H56N10O8S3	876.3445	NA	PeJP	NA	NA
+PJ062554	GTCHHHW 	C38H48N14O9S	876.345	NA	PeJP	NA	NA
+PJ062555	GEEEEER 	C33H52N10O18	876.3461	NA	PeJP	NA	NA
+PJ062556	GGNDKEEE 	C33H52N10O18	876.3462	NA	PeJP	NA	NA
+PJ062557	SDKEMMH 	C34H56N10O13S2	876.347	NA	PeJP	NA	NA
+PJ062558	GSSSEHHH 	C34H48N14O14	876.3475	NA	PeJP	NA	NA
+PJ062559	SQMYYW 	C42H52N8O11S	876.3476	NA	PeJP	NA	NA
+PJ062560	PEEMWW 	C42H52N8O11S	876.3477	NA	PeJP	NA	NA
+PJ062561	PCKMMMH 	C35H60N10O8S4	876.3479	NA	PeJP	NA	NA
+PJ062562	ANMMHHH 	C35H52N14O9S2	876.3483	NA	PeJP	NA	NA
+PJ062563	GQMMHHH 	C35H52N14O9S2	876.3484	NA	PeJP	NA	NA
+PJ062564	SSTQEYY 	C38H52N8O16	876.3501	NA	PeJP	NA	NA
+PJ062565	GVEEEEW 	C38H52N8O16	876.3502	NA	PeJP	NA	NA
+PJ062566	SSSSCNHR 	C31H52N14O14S	876.3508	NA	PeJP	NA	NA
+PJ062567	GGSSSSCHR 	C31H52N14O14S	876.3509	NA	PeJP	NA	NA
+PJ062568	SPPEMMW 	C39H56N8O11S2	876.351	NA	PeJP	NA	NA
+PJ062569	GSNNNWW 	C39H48N12O12	876.3515	NA	PeJP	NA	NA
+PJ062570	CCCQKHR 	C32H56N14O9S3	876.3517	NA	PeJP	NA	NA
+PJ062571	SSSTTTMY 	C35H56N8O16S	876.3535	NA	PeJP	NA	NA
+PJ062572	SSKMMMY 	C36H60N8O11S3	876.3544	NA	PeJP	NA	NA
+PJ062573	SPCNDRW 	C36H52N12O12S	876.3549	NA	PeJP	NA	NA
+PJ062574	GNEWWW 	C44H48N10O10	876.3555	NA	PeJP	NA	NA
+MJ096732	Methylenebisnorflavaspidic acid 	C47H56O16	876.356835	NA	MeJP	NA	NA
+PJ062575	SNNEEER 	C32H52N12O17	876.3574	NA	PeJP	NA	NA
+PJ062576	SSEMMHR 	C33H56N12O12S2	876.3582	NA	PeJP	NA	NA
+PJ062577	GGPNDMMR 	C33H56N12O12S2	876.3583	NA	PeJP	NA	NA
+PJ062578	NNNNQHH 	C33H48N16O13	876.3587	NA	PeJP	NA	NA
+PJ062579	GGGGGGGGGAHH 	C33H48N16O13	876.3588	NA	PeJP	NA	NA
+PJ062580	GSPNMWW 	C41H52N10O10S	876.3589	NA	PeJP	NA	NA
+PJ062581	GCMHHHR 	C34H52N16O8S2	876.3596	NA	PeJP	NA	NA
+PJ062582	EEEERW 	C37H52N10O15	876.3614	NA	PeJP	NA	NA
+PJ062583	ATTMMHW 	C38H56N10O10S2	876.3623	NA	PeJP	NA	NA
+PJ062584	SSSHHHW 	C38H48N14O11	876.3627	NA	PeJP	NA	NA
+PJ062585	GGGEHHHF 	C38H48N14O11	876.3628	NA	PeJP	NA	NA
+PJ062586	CQFFFW 	C46H52N8O8S	876.3629	NA	PeJP	NA	NA
+PJ062587	SPEEEMR 	C34H56N10O15S	876.3648	NA	PeJP	NA	NA
+PJ062588	VEEEWW 	C42H52N8O13	876.3654	NA	PeJP	NA	NA
+PJ062589	PPDMMMR 	C35H60N10O10S3	876.3656	NA	PeJP	NA	NA
+PJ062590	GGGPPCKMM 	C35H60N10O10S3	876.3657	NA	PeJP	NA	NA
+PJ062591	GCNNQRW 	C35H52N14O11S	876.3661	NA	PeJP	NA	NA
+PJ062592	CKMFYW 	C43H56N8O8S2	876.3663	NA	PeJP	NA	NA
+PJ062593	PDHHWW 	C43H48N12O9	876.3668	NA	PeJP	NA	NA
+PJ062594	SNDDDRR 	C31H52N14O16	876.3686	NA	PeJP	NA	NA
+PJ062595	SPVEEMW 	C39H56N8O13S	876.3688	NA	PeJP	NA	NA
+PJ062596	PCCNERR 	C32H56N14O11S2	876.3695	NA	PeJP	NA	NA
+PJ062597	PPCLMMW 	C40H60N8O8S3	876.3697	NA	PeJP	NA	NA
+PJ062598	CEHFRW 	C40H52N12O9S	876.3701	NA	PeJP	NA	NA
+PJ062599	NWWWW 	C48H48N10O7	876.3708	NA	PeJP	NA	NA
+PJ062600	VDKEEEE 	C35H56N8O18	876.3713	NA	PeJP	NA	NA
+PJ062601	PLQEEMM 	C36H60N8O13S2	876.3722	NA	PeJP	NA	NA
+PJ062602	GSNEERW 	C36H52N12O14	876.3726	NA	PeJP	NA	NA
+PJ062603	GGGGGGSDKW 	C36H52N12O14	876.3727	NA	PeJP	NA	NA
+PJ062604	GPCQMRW 	C37H56N12O9S2	876.3735	NA	PeJP	NA	NA
+PJ062605	AMHFWW 	C45H52N10O7S	876.3742	NA	PeJP	NA	NA
+MJ096733	Konbanamide 	C40H61BrN8O9	876.374488	NA	MeJP	NA	NA
+PJ062606	GQQEEMR 	C33H56N12O14S	876.376	NA	PeJP	NA	NA
+PJ062607	TQQEWW 	C41H52N10O12	876.3766	NA	PeJP	NA	NA
+PJ062608	NDKEWW 	C41H52N10O12	876.3767	NA	PeJP	NA	NA
+PJ062609	ATMMMHR 	C34H60N12O9S3	876.3769	NA	PeJP	NA	NA
+PJ062610	STCHHHR 	C34H52N16O10S	876.3773	NA	PeJP	NA	NA
+PJ062611	GGPCNHHR 	C34H52N16O10S	876.3774	NA	PeJP	NA	NA
+PJ062612	NHHHFW 	C42H48N14O8	876.378	NA	PeJP	NA	NA
+PJ062613	TTTTMHW 	C38H56N10O12S	876.38	NA	PeJP	NA	NA
+PJ062614	PPEYWW 	C46H52N8O10	876.3807	NA	PeJP	NA	NA
+7851	NA	YGGFMRF	876.3824	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ062615	SVEEEER 	C34H56N10O17	876.3825	NA	PeJP	NA	NA
+PJ062616	PVDEMMR 	C35H60N10O12S2	876.3834	NA	PeJP	NA	NA
+PJ062617	SSNNNRW 	C35H52N14O13	876.3839	NA	PeJP	NA	NA
+PJ062618	SKMYYW 	C43H56N8O10S	876.384	NA	PeJP	NA	NA
+PJ062619	PPVCEFW 	C43H56N8O10S	876.3841	NA	PeJP	NA	NA
+PJ062620	GPCCRRW 	C36H56N14O8S2	876.3847	NA	PeJP	NA	NA
+PJ062621	ATLEEEW 	C39H56N8O15	876.3865	NA	PeJP	NA	NA
+PJ062622	SVVEEEW 	C39H56N8O15	876.3866	NA	PeJP	NA	NA
+PJ062623	GNDEMRR 	C32H56N14O13S	876.3872	NA	PeJP	NA	NA
+PJ062624	GGGDEMRR 	C32H56N14O13S	876.3873	NA	PeJP	NA	NA
+PJ062625	APLEMMW 	C40H60N8O10S2	876.3874	NA	PeJP	NA	NA
+PJ062626	SNERWW 	C40H52N12O11	876.3879	NA	PeJP	NA	NA
+PJ062627	CCCKKHR 	C33H60N14O8S3	876.3881	NA	PeJP	NA	NA
+PJ062628	VLQEEEM 	C36H60N8O15S	876.3899	NA	PeJP	NA	NA
+PJ062629	GPPTLMMM 	C37H64N8O10S3	876.3908	NA	PeJP	NA	NA
+PJ062630	SSPNMRW 	C37H56N12O11S	876.3912	NA	PeJP	NA	NA
+PJ062631	QQEMRW 	C37H56N12O11S	876.3913	NA	PeJP	NA	NA
+PJ062632	GDKWWW 	C45H52N10O9	876.3919	NA	PeJP	NA	NA
+PJ062633	ASSSSSSKH 	C33H56N12O16	876.3937	NA	PeJP	NA	NA
+PJ062634	SNDKEER 	C33H56N12O16	876.3938	NA	PeJP	NA	NA
+PJ062635	TTTMMHR 	C34H60N12O11S2	876.3946	NA	PeJP	NA	NA
+PJ062636	GGGGAPCCKK 	C34H60N12O11S2	876.3947	NA	PeJP	NA	NA
+PJ062637	GNQEHHR 	C34H52N16O12	876.3951	NA	PeJP	NA	NA
+PJ062638	VQQMWW 	C42H56N10O9S	876.3953	NA	PeJP	NA	NA
+PJ062639	GTQKEEW 	C38H56N10O14	876.3978	NA	PeJP	NA	NA
+PJ062640	GCDDRRR 	C31H56N16O12S	876.3985	NA	PeJP	NA	NA
+PJ062641	ALQMMHF 	C39H60N10O9S2	876.3986	NA	PeJP	NA	NA
+PJ062642	GPQKMMW 	C39H60N10O9S2	876.3987	NA	PeJP	NA	NA
+MJ096734	3,5,14,19-Tetrahydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C41H64O20	876.399094	NA	MeJP	NA	NA
+PJ062643	AAQQHHW 	C39H52N14O10	876.3991	NA	PeJP	NA	NA
+PJ062644	CKFFFW 	C47H56N8O7S	876.3993	NA	PeJP	NA	NA
+7431	coeliac toxic peptide	QQPPFSEEEEPVLPQ	876.401	MH2+	Inhouse_peptide	NA	peptide
+PJ062645	SSTTTLMH 	C35H60N10O14S	876.4011	NA	PeJP	NA	NA
+PJ062646	ALEEEMR 	C35H60N10O14S	876.4012	NA	PeJP	NA	NA
+PJ062647	SPPVEYW 	C43H56N8O12	876.4018	NA	PeJP	NA	NA
+PJ062648	SLKMMMH 	C36H64N10O9S3	876.402	NA	PeJP	NA	NA
+PJ062649	NDMRRW 	C36H56N14O10S	876.4025	NA	PeJP	NA	NA
+PJ062650	GSRWWW 	C44H52N12O8	876.4031	NA	PeJP	NA	NA
+PJ062651	GPPHHFW 	C44H52N12O8	876.4032	NA	PeJP	NA	NA
+PJ062652	SSNEERR 	C32H56N14O15	876.405	NA	PeJP	NA	NA
+PJ062653	GLLEEMW 	C40H60N8O12S	876.4052	NA	PeJP	NA	NA
+PJ062654	SPCQMRR 	C33H60N14O10S2	876.4059	NA	PeJP	NA	NA
+PJ062655	AQMRWW 	C41H56N12O8S	876.4065	NA	PeJP	NA	NA
+PJ062656	TLKEEEE 	C36H60N8O17	876.4077	NA	PeJP	NA	NA
+PJ062657	SPPTTLMM 	C37H64N8O12S2	876.4085	NA	PeJP	NA	NA
+PJ062658	PLKEEMM 	C37H64N8O12S2	876.4086	NA	PeJP	NA	NA
+PJ062659	GSDKERW 	C37H56N12O13	876.409	NA	PeJP	NA	NA
+PJ062660	GGGGGGGGAALF 	C37H56N12O13	876.4091	NA	PeJP	NA	NA
+PJ062661	GPCKMRW 	C38H60N12O8S2	876.4099	NA	PeJP	NA	NA
+PJ062662	NQHHRW 	C38H52N16O9	876.4104	NA	PeJP	NA	NA
+PJ062663	GQKEEMR 	C34H60N12O13S	876.4124	NA	PeJP	NA	NA
+PJ062664	TQKEWW 	C42H56N10O11	876.413	NA	PeJP	NA	NA
+PJ062665	GGGGAPLYW 	C42H56N10O11	876.4131	NA	PeJP	NA	NA
+PJ062666	CCKKKMH 	C35H64N12O8S3	876.4133	NA	PeJP	NA	NA
+MJ096735	Furanocandin 	C45H64O17	876.41435	NA	MeJP	NA	NA
+PJ062667	GSSSNNRR 	C31H56N16O14	876.4162	NA	PeJP	NA	NA
+PJ062668	GVQKEMW 	C39H60N10O11S	876.4164	NA	PeJP	NA	NA
+PJ062669	SKFFYW 	C47H56N8O9	876.417	NA	PeJP	NA	NA
+PJ062670	PLEFWW 	C47H56N8O9	876.4171	NA	PeJP	NA	NA
+MJ096736	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-(2-O-Sulfo-?-D-glucopyranoside), 28-O-?-D-glucopyranosyl ester 	C42H68O17S	876.417721	NA	MeJP	NA	NA
+MJ096737	3,23-Dihydroxy-12-ursen-28-oic acid, 28-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 23-O-sulfate 	C42H68O17S	876.417721	NA	MeJP	NA	NA
+MJ096738	Hederagenin 28-glycosyl esters; 28-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 23-O-sulfate 	C42H68O17S	876.417721	NA	MeJP	NA	NA
+PJ062671	ACRRWW 	C40H56N14O7S	876.4178	NA	PeJP	NA	NA
+PJ062672	TTLEEER 	C35H60N10O16	876.4189	NA	PeJP	NA	NA
+MJ096739	Naphthostatin; Naphthostatin A 	C51H60N2O11	876.41971	NA	MeJP	NA	NA
+MJ096740	Naphthostatin; Naphthostatin B 	C51H60N2O11	876.41971	NA	MeJP	NA	NA
+PJ062673	PTLEMMR 	C36H64N10O11S2	876.4198	NA	PeJP	NA	NA
+PJ062674	GSSERRW 	C36H56N14O12	876.4202	NA	PeJP	NA	NA
+PJ062675	ASSDRRW 	C36H56N14O12	876.4203	NA	PeJP	NA	NA
+PJ062676	LLEMWW 	C44H60N8O9S	876.4204	NA	PeJP	NA	NA
+PJ062677	MMHFRR 	C37H60N14O7S2	876.4211	NA	PeJP	NA	NA
+PJ062678	GPHHHHR 	C37H52N18O8	876.4216	NA	PeJP	NA	NA
+PJ062679	STLLEEW 	C40H60N8O14	876.4229	NA	PeJP	NA	NA
+PJ062680	GTQEMRR 	C33H60N14O12S	876.4236	NA	PeJP	NA	NA
+PJ062681	SPLLMMW 	C41H64N8O9S2	876.4238	NA	PeJP	NA	NA
+PJ062682	SDKRWW 	C41H56N12O10	876.4243	NA	PeJP	NA	NA
+PJ062683	VLKEEEM 	C37H64N8O14S	876.4263	NA	PeJP	NA	NA
+PJ062684	AAPLLMMM 	C38H68N8O9S3	876.4272	NA	PeJP	NA	NA
+PJ062685	QKEMRW 	C38H60N12O10S	876.4276	NA	PeJP	NA	NA
+PJ062686	GAKEMRW 	C38H60N12O10S	876.4277	NA	PeJP	NA	NA
+PJ062687	ATKWWW 	C46H56N10O8	876.4283	NA	PeJP	NA	NA
+PJ062688	STQKEER 	C34H60N12O15	876.4301	NA	PeJP	NA	NA
+PJ062689	GGTTKEER 	C34H60N12O15	876.4302	NA	PeJP	NA	NA
+PJ062690	SPQKMMR 	C35H64N12O10S2	876.431	NA	PeJP	NA	NA
+PJ062691	GNNNFRR 	C35H56N16O11	876.4315	NA	PeJP	NA	NA
+PJ062692	VQKMWW 	C43H60N10O8S	876.4317	NA	PeJP	NA	NA
+PJ062693	GTKKEEW 	C39H60N10O13	876.4342	NA	PeJP	NA	NA
+PJ062694	SCNNKRR 	C32H60N16O11S	876.4348	NA	PeJP	NA	NA
+PJ062695	GSDMRRR 	C32H60N16O11S	876.4349	NA	PeJP	NA	NA
+PJ062696	GPKKMMW 	C40H64N10O8S2	876.435	NA	PeJP	NA	NA
+PJ062697	SSRRWW 	C40H56N14O9	876.4355	NA	PeJP	NA	NA
+PJ062698	SLLEEMR 	C36H64N10O13S	876.4375	NA	PeJP	NA	NA
+PJ062699	GGVKKEEM 	C36H64N10O13S	876.4376	NA	PeJP	NA	NA
+PJ062700	GPLLEYW 	C44H60N8O11	876.4382	NA	PeJP	NA	NA
+PJ062701	PVLMMMR 	C37H68N10O8S3	876.4384	NA	PeJP	NA	NA
+PJ062702	TQMRRW 	C37H60N14O9S	876.4389	NA	PeJP	NA	NA
+PJ062703	VLHHWW 	C45H56N12O7	876.4395	NA	PeJP	NA	NA
+PJ062704	SSDKERR 	C33H60N14O14	876.4414	NA	PeJP	NA	NA
+PJ062705	SVLLEMW 	C41H64N8O11S	876.4416	NA	PeJP	NA	NA
+PJ062706	SPCKMRR 	C34H64N14O9S2	876.4422	NA	PeJP	NA	NA
+PJ062707	GVQMMRR 	C34H64N14O9S2	876.4423	NA	PeJP	NA	NA
+PJ062708	GSQHHRR 	C34H56N18O10	876.4427	NA	PeJP	NA	NA
+PJ062709	AKMRWW 	C42H60N12O7S	876.4429	NA	PeJP	NA	NA
+PJ062710	SSSLLLEE 	C37H64N8O16	876.4441	NA	PeJP	NA	NA
+PJ062711	LLLQEMM 	C38H68N8O11S2	876.4449	NA	PeJP	NA	NA
+PJ062712	GTTKERW 	C38H60N12O12	876.4454	NA	PeJP	NA	NA
+PJ062713	NKHHRW 	C39H56N16O8	876.4467	NA	PeJP	NA	NA
+PJ062714	GGKHHRW 	C39H56N16O8	876.4468	NA	PeJP	NA	NA
+PJ062715	GKKEEMR 	C35H64N12O12S	876.4488	NA	PeJP	NA	NA
+PJ062716	TKKEWW 	C43H60N10O10	876.4494	NA	PeJP	NA	NA
+PJ062717	TCRRRW 	C36H60N16O8S	876.4501	NA	PeJP	NA	NA
+MJ096741	Rifapentine 	C47H64N4O12	876.452073	NA	MeJP	NA	NA
+C08059	Rifapentine	C47H64N4O12	876.4521	NA	KEGG	NA	NA
+PJ062718	SSSERRR 	C32H60N16O13	876.4526	NA	PeJP	NA	NA
+PJ062719	GVKKEMW 	C40H64N10O10S	876.4528	NA	PeJP	NA	NA
+PJ062720	PLLYWW 	C48H60N8O8	876.4534	NA	PeJP	NA	NA
+PJ062721	QMMRRR 	C33H64N16O8S2	876.4535	NA	PeJP	NA	NA
+PJ062722	SKKKEEE 	C36H64N10O15	876.4553	NA	PeJP	NA	NA
+PJ062723	VVLEMMR 	C37H68N10O10S2	876.4562	NA	PeJP	NA	NA
+PJ062724	GTTTRRW 	C37H60N14O11	876.4566	NA	PeJP	NA	NA
+PJ062725	GGGVEFRR 	C37H60N14O11	876.4567	NA	PeJP	NA	NA
+PJ062726	APLLMFW 	C45H64N8O8S	876.4568	NA	PeJP	NA	NA
+MJ096742	N-Deacyltunicamycin; N4''-(3-Hydroxy-14-methylhexadecanoyl) 	C40H68N4O17	876.457946	NA	MeJP	NA	NA
+PJ062727	PVLKEEY 	C41H64N8O13	876.4593	NA	PeJP	NA	NA
+PJ062728	GTKEMRR 	C34H64N14O11S	876.46	NA	PeJP	NA	NA
+PJ062729	ALLLMMW 	C42H68N8O8S2	876.4602	NA	PeJP	NA	NA
+PJ062730	TTKRWW 	C42H60N12O9	876.4607	NA	PeJP	NA	NA
+PJ062731	GTTLLLEM 	C38H68N8O13S	876.4627	NA	PeJP	NA	NA
+PJ062732	KKEMRW 	C39H64N12O9S	876.464	NA	PeJP	NA	NA
+PJ062733	LKHFFW 	C47H60N10O7	876.4647	NA	PeJP	NA	NA
+PJ062734	STKKEER 	C35H64N12O14	876.4665	NA	PeJP	NA	NA
+PJ062735	SPKKMMR 	C36H68N12O9S2	876.4674	NA	PeJP	NA	NA
+PJ062736	NEFRRR 	C36H60N16O10	876.4679	NA	PeJP	NA	NA
+PJ062737	VKKMWW 	C44H64N10O7S	876.4681	NA	PeJP	NA	NA
+PJ062738	SSLKKEW 	C40H64N10O12	876.4705	NA	PeJP	NA	NA
+PJ062739	VTTDKKW 	C40H64N10O12	876.4706	NA	PeJP	NA	NA
+PJ062740	GTTMRRR 	C33H64N16O10S	876.4712	NA	PeJP	NA	NA
+MJ096743	3,14-Clerodadiene-6,13-diol, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-[6-deoxy-?-D-glucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-L-arabinopyranoside 	C43H72O18	876.471865	NA	MeJP	NA	NA
+MJ096744	3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Fucopyranosyl-(1?2)-[?-D-fucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-L-arabinopyranoside 	C43H72O18	876.471865	NA	MeJP	NA	NA
+PJ062741	VNFRRW 	C41H60N14O8	876.4719	NA	PeJP	NA	NA
+PJ062742	VDKKKEM 	C37H68N10O12S	876.4739	NA	PeJP	NA	NA
+MJ096745	Neoviridogrisein I 	C45H64N8O10	876.47454	NA	MeJP	NA	NA
+MJ096746	Neoviridogrisein MP 	C45H64N8O10	876.47454	NA	MeJP	NA	NA
+PJ062743	SPVLLYW 	C45H64N8O10	876.4746	NA	PeJP	NA	NA
+PJ062744	TKMRRW 	C38H64N14O8S	876.4753	NA	PeJP	NA	NA
+PJ062745	STTKERR 	C34H64N14O13	876.4778	NA	PeJP	NA	NA
+PJ062746	TTLLLMW 	C42H68N8O10S	876.4779	NA	PeJP	NA	NA
+PJ062747	GAPLLLMY 	C42H68N8O10S	876.478	NA	PeJP	NA	NA
+PJ062748	GVKMMRR 	C35H68N14O8S2	876.4786	NA	PeJP	NA	NA
+PJ062749	GSKHHRR 	C35H60N18O9	876.4791	NA	PeJP	NA	NA
+PJ062750	STTTLLLE 	C38H68N8O15	876.4804	NA	PeJP	NA	NA
+PJ062751	LLLKEMM 	C39H72N8O10S2	876.4813	NA	PeJP	NA	NA
+PJ062752	SSTLKRW 	C39H64N12O11	876.4818	NA	PeJP	NA	NA
+PJ062753	GFRRRW 	C40H60N16O7	876.4831	NA	PeJP	NA	NA
+PJ062754	SVKKEMR 	C36H68N12O11S	876.4852	NA	PeJP	NA	NA
+PJ062755	GPVKKYW 	C44H64N10O9	876.4858	NA	PeJP	NA	NA
+C11959	Avermectin B2b	C47H72O15	876.4871	NA	KEGG	NA	NA
+MJ096747	Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 3''-O-de-Me 	C47H72O15	876.487121	NA	MeJP	NA	NA
+MJ096748	Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 3'-O-de-Me 	C47H72O15	876.487121	NA	MeJP	NA	NA
+MJ096749	Avermectin B1b; 22,23-Dihydro, 23S-hydroxy 	C47H72O15	876.487121	NA	MeJP	NA	NA
+MJ096750	Pectenotoxin 1; Dihydro (?) 	C47H72O15	876.487121	NA	MeJP	NA	NA
+PJ062756	STTTRRR 	C33H64N16O12	876.489	NA	PeJP	NA	NA
+PJ062757	ATLKKMW 	C41H68N10O9S	876.4892	NA	PeJP	NA	NA
+PJ062758	LLLFWW 	C49H64N8O7	876.4898	NA	PeJP	NA	NA
+PJ062759	KMMRRR 	C34H68N16O7S2	876.4899	NA	PeJP	NA	NA
+PJ062760	GTTTLKKE 	C37H68N10O14	876.4917	NA	PeJP	NA	NA
+PJ062761	TLLLMMR 	C38H72N10O9S2	876.4926	NA	PeJP	NA	NA
+PJ062762	GPTKRRY 	C38H64N14O10	876.493	NA	PeJP	NA	NA
+PJ062763	VLLLQEY 	C42H68N8O12	876.4957	NA	PeJP	NA	NA
+PJ062764	SSLKMRR 	C35H68N14O10S	876.4964	NA	PeJP	NA	NA
+PJ062765	PKKRYW 	C43H64N12O8	876.497	NA	PeJP	NA	NA
+PJ062766	GALKFRW 	C43H64N12O8	876.4971	NA	PeJP	NA	NA
+PJ062767	SSTLLLLM 	C39H72N8O12S	876.4991	NA	PeJP	NA	NA
+PJ062768	GCKKKKW 	C40H68N12O8S	876.5004	NA	PeJP	NA	NA
+PJ062769	SSSSLLKR 	C36H68N12O13	876.5029	NA	PeJP	NA	NA
+PJ062770	ALKKMMR 	C37H72N12O8S2	876.5038	NA	PeJP	NA	NA
+PJ062771	VQRRRY 	C37H64N16O9	876.5043	NA	PeJP	NA	NA
+PJ062772	TTTLKKW 	C41H68N10O11	876.5069	NA	PeJP	NA	NA
+PJ062773	GGGGLLLKY 	C41H68N10O11	876.507	NA	PeJP	NA	NA
+PJ062774	TLKKKEM 	C38H72N10O11S	876.5103	NA	PeJP	NA	NA
+PJ062775	GLLLLYW 	C46H68N8O9	876.511	NA	PeJP	NA	NA
+PJ062776	GSSSKKKR 	C35H68N14O12	876.5142	NA	PeJP	NA	NA
+PJ062777	PLLLKMY 	C43H72N8O9S	876.5143	NA	PeJP	NA	NA
+PJ062778	ARRRRY 	C36H64N18O8	876.5155	NA	PeJP	NA	NA
+PJ062779	SPVKKRY 	C40H68N12O10	876.5182	NA	PeJP	NA	NA
+PJ062780	TTLKKMR 	C37H72N12O10S	876.5215	NA	PeJP	NA	NA
+PJ062781	GGTKKKKM 	C37H72N12O10S	876.5216	NA	PeJP	NA	NA
+PJ062782	GVLKKFW 	C45H68N10O8	876.5222	NA	PeJP	NA	NA
+PJ062783	VVLLMFR 	C42H72N10O8S	876.5256	NA	PeJP	NA	NA
+PJ062784	PHRRRR 	C35H64N20O7	876.5267	NA	PeJP	NA	NA
+PJ062785	SSTTLLKK 	C38H72N10O13	876.5281	NA	PeJP	NA	NA
+PJ062786	VLKKKMM 	C39H76N10O8S2	876.5289	NA	PeJP	NA	NA
+PJ062787	AALKRRY 	C39H68N14O9	876.5294	NA	PeJP	NA	NA
+PJ062788	VLLLKEY 	C43H72N8O11	876.5321	NA	PeJP	NA	NA
+PJ062789	SCKKKKR 	C36H72N14O9S	876.5328	NA	PeJP	NA	NA
+PJ062790	LKKFRW 	C44H68N12O7	876.5334	NA	PeJP	NA	NA
+PJ062791	GSTTKKKK 	C37H72N12O12	876.5393	NA	PeJP	NA	NA
+PJ062792	VKRRRY 	C38H68N16O8	876.5406	NA	PeJP	NA	NA
+PJ062793	PPPVRRR 	C38H68N16O8	876.5407	NA	PeJP	NA	NA
+PJ062794	SLLLLRY 	C42H72N10O10	876.5433	NA	PeJP	NA	NA
+PJ062795	PLLLKFF 	C47H72N8O8	876.5474	NA	PeJP	NA	NA
+PJ062796	LLLLKMF 	C44H76N8O8S	876.5507	NA	PeJP	NA	NA
+PJ062797	GLLKKRY 	C41H72N12O9	876.5546	NA	PeJP	NA	NA
+MJ096751	Megalomicin A 	C44H80N2O15	876.555869	NA	MeJP	NA	NA
+C11985	Megalomicin A	C44H80N2O15	876.5559	NA	KEGG	NA	NA
+PJ062798	SKKKKKM 	C38H76N12O9S	876.5579	NA	PeJP	NA	NA
+MJ096752	Antibiotic C 076; Antibiotic C 076Ic 	C49H80O13	876.559892	NA	MeJP	NA	NA
+PJ062799	PVLKKHR 	C40H72N14O8	876.5658	NA	PeJP	NA	NA
+PJ062800	VVLKKKY 	C43H76N10O9	876.5797	NA	PeJP	NA	NA
+PJ062801	LLLLLHR 	C42H76N12O8	876.591	NA	PeJP	NA	NA
+PJ062802	PPVLLLLL 	C45H80N8O9	876.6049	NA	PeJP	NA	NA
+HMDB05447	TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H96O6	876.7207	http://www.hmdb.ca/metabolites/HMDB05447	HMDB	NA	NA
+HMDB05447	TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H96O6	876.7207	HMDB05447	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05447	TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+HMDB10475	TG(18:2(9Z,12Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+HMDB10489	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+HMDB10490	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+HMDB10502	TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:3(9Z,12Z,15Z))[iso3]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+HMDB10503	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+HMDB10519	TG(20:4(5Z,8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z))[iso6]	C57H96O6	876.720703	NA	HMDB2010	NA	NA
+MJ096753	Polyprenol; Betulaprenol 12, Ac 	C62H100O2	876.772332	NA	MeJP	NA	NA
+7448	coeliac toxic peptide	GSVQPQQQLPQFEIR	876.947	MH2+	Inhouse_peptide	NA	peptide
+C07347	Thiophene-2-carbonyl-CoA	C26H38N7O17P3S2	877.0978	NA	KEGG	NA	NA
+MetaCyc04224	thiophene-2-carbonyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2-thienylcarbonylsulfanyl) ethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid;]	C26H38N7O17P3S2	877.097844	NA	metacyc	NA	NA
+C03724	S-(5-Hydroxy-2-furoyl)-CoA	C26H38N7O19P3S	877.1156	NA	KEGG	NA	NA
+MetaCyc04225	S-(5-hydroxy-2-furoyl)-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-furyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;]	C26H38N7O19P3S1	877.115602	NA	metacyc	NA	NA
+PJ062803	CCCCCNDD 	C27H43N9O14S5	877.1533	NA	PeJP	NA	NA
+PJ062804	GGCCCCCDD 	C27H43N9O14S5	877.1534	NA	PeJP	NA	NA
+PJ062805	GSPCCCCCC 	C28H47N9O11S6	877.172	NA	PeJP	NA	NA
+MetaCyc04226	cyclohexane-1-carboxyl-CoA [cyclohexane-1-carbonyl-CoA;]	C28H46N7O17P3S1	877.188373	NA	metacyc	NA	NA
+C09823	Cyclohexane-1-carboxyl-CoA	C28H46N7O17P3S	877.1884	NA	KEGG	NA	NA
+C11949	3-Isopropylbut-3-enoyl-CoA	C28H46N7O17P3S	877.1884	NA	KEGG	NA	NA
+C16470	5-Methylhex-4-enoyl-CoA	C28H46N7O17P3S	877.1884	NA	KEGG	NA	NA
+PJ062806	SCCCCNDM 	C28H47N9O13S5	877.1897	NA	PeJP	NA	NA
+PJ062807	GTCCCCCW 	C32H47N9O10S5	877.205	NA	PeJP	NA	NA
+PJ062808	GSSSCCCCE 	C28H47N9O15S4	877.2075	NA	PeJP	NA	NA
+PJ062809	GCCCCQMM 	C29H51N9O10S6	877.2084	NA	PeJP	NA	NA
+PJ062810	GCCCCCMR 	C28H51N11O9S6	877.2196	NA	PeJP	NA	NA
+PJ062811	SSSCCCCW 	C32H47N9O12S4	877.2227	NA	PeJP	NA	NA
+PJ062812	GGGCCCCEF 	C32H47N9O12S4	877.2228	NA	PeJP	NA	NA
+PJ062813	SSSSSCCCD 	C28H47N9O17S3	877.2252	NA	PeJP	NA	NA
+PJ062814	SSCCCNMM 	C29H51N9O12S5	877.2261	NA	PeJP	NA	NA
+PJ062815	CCDDEMY 	C33H47N7O15S3	877.2293	NA	PeJP	NA	NA
+PJ062816	GCCNDDDH 	C30H43N11O16S2	877.2331	NA	PeJP	NA	NA
+PJ062817	CCEMMMM 	C31H55N7O10S6	877.2335	NA	PeJP	NA	NA
+PJ062818	STCCCCCR 	C28H51N11O11S5	877.2373	NA	PeJP	NA	NA
+PJ062819	CCCCNFW 	C36H47N9O9S4	877.238	NA	PeJP	NA	NA
+FL7AAAGL0071	Pelargonidin 3-glucoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside)	C40H45O22	877.24024	215237-91-5	knapsack	NA	NA
+PJ062820	GSCCCNEY 	C32H47N9O14S3	877.2405	NA	PeJP	NA	NA
+PJ062821	GSSSTCCCM 	C29H51N9O14S4	877.2439	NA	PeJP	NA	NA
+PJ062822	GCCCCKMM 	C30H55N9O9S6	877.2447	NA	PeJP	NA	NA
+PJ062823	CCDEMMF 	C34H51N7O12S4	877.2479	NA	PeJP	NA	NA
+PJ062824	SPCCCNDH 	C31H47N11O13S3	877.2517	NA	PeJP	NA	NA
+PJ062825	SCCCNYW 	C36H47N9O11S3	877.2557	NA	PeJP	NA	NA
+PJ062826	GGSCCCYW 	C36H47N9O11S3	877.2558	NA	PeJP	NA	NA
+PJ062827	SSSCCNDY 	C32H47N9O16S2	877.2582	NA	PeJP	NA	NA
+PJ062828	GGSSSCCDY 	C32H47N9O16S2	877.2583	NA	PeJP	NA	NA
+PJ062829	CCNNMMY 	C33H51N9O11S4	877.2591	NA	PeJP	NA	NA
+PJ062830	SSSSSSCCM 	C29H51N9O16S3	877.2616	NA	PeJP	NA	NA
+PJ062831	PCCDDYY 	C37H47N7O14S2	877.2623	NA	PeJP	NA	NA
+PJ062832	STCCCCKM 	C30H55N9O11S5	877.2625	NA	PeJP	NA	NA
+PJ062833	GCCCNNQH 	C30H47N13O12S3	877.263	NA	PeJP	NA	NA
+PJ062834	SCDEMMY 	C34H51N7O14S3	877.2656	NA	PeJP	NA	NA
+PJ062835	PCCMMMY 	C35H55N7O9S5	877.2665	NA	PeJP	NA	NA
+PJ062836	CCCEHHF 	C35H47N11O10S3	877.267	NA	PeJP	NA	NA
+PJ062837	GNNNDDDD 	C30H43N11O20	877.2686	NA	PeJP	NA	NA
+PJ062838	GGGGGGGDDDD 	C30H43N11O20	877.2687	NA	PeJP	NA	NA
+PJ062839	GSCNDDMH 	C31H47N11O15S2	877.2695	NA	PeJP	NA	NA
+PJ062840	TCMMMMM 	C32H59N7O9S6	877.2699	NA	PeJP	NA	NA
+PJ062841	CCCCQRY 	C32H51N11O10S4	877.2704	NA	PeJP	NA	NA
+PJ062842	DDDDDHF 	C35H43N9O18	877.2726	NA	PeJP	NA	NA
+PJ062843	CCNNDFY 	C36H47N9O13S2	877.2735	NA	PeJP	NA	NA
+PJ062844	GPNDDDDM 	C32H47N9O18S	877.276	NA	PeJP	NA	NA
+PJ062845	GSSCCQMY 	C33H51N9O13S3	877.2769	NA	PeJP	NA	NA
+PJ062846	CDDDHHH 	C33H43N13O14S	877.2774	NA	PeJP	NA	NA
+PJ062847	GDDDMYY 	C37H47N7O16S	877.28	NA	PeJP	NA	NA
+PJ062848	SSCCNNNH 	C30H47N13O14S2	877.2807	NA	PeJP	NA	NA
+PJ062849	PCCDMFY 	C38H51N7O11S3	877.2809	NA	PeJP	NA	NA
+PJ062850	GPCCCCHR 	C31H51N13O9S4	877.2816	NA	PeJP	NA	NA
+PJ062851	GDMMMMY 	C35H55N7O11S4	877.2843	NA	PeJP	NA	NA
+PJ062852	SCCNEHW 	C35H47N11O12S2	877.2847	NA	PeJP	NA	NA
+PJ062853	GGSCCEHW 	C35H47N11O12S2	877.2848	NA	PeJP	NA	NA
+PJ062854	SSSCNDEH 	C31H47N11O17S	877.2872	NA	PeJP	NA	NA
+PJ062855	GGSSTCDDH 	C31H47N11O17S	877.2873	NA	PeJP	NA	NA
+PJ062856	GSSCCCRY 	C32H51N11O12S3	877.2881	NA	PeJP	NA	NA
+PJ062857	PCNDDEW 	C36H47N9O15S	877.2913	NA	PeJP	NA	NA
+PJ062858	CCNNMFF 	C37H51N9O10S3	877.2921	NA	PeJP	NA	NA
+PJ062859	GGGGCCMFF 	C37H51N9O10S3	877.2922	NA	PeJP	NA	NA
+PJ062860	NNDEEEE 	C32H47N9O20	877.2938	NA	PeJP	NA	NA
+PJ062861	SSSSCNMY 	C33H51N9O15S2	877.2946	NA	PeJP	NA	NA
+PJ062862	GGSPPCDDM 	C33H51N9O15S2	877.2947	NA	PeJP	NA	NA
+PJ062863	CDEYYW 	C41H47N7O13S	877.2953	NA	PeJP	NA	NA
+PJ062864	CCCQKMY 	C34H55N9O10S4	877.2955	NA	PeJP	NA	NA
+PJ062865	SSDDEYY 	C37H47N7O18	877.2978	NA	PeJP	NA	NA
+PJ062866	GCNNNNNE 	C30H47N13O16S	877.2985	NA	PeJP	NA	NA
+PJ062867	SPCDMYY 	C38H51N7O13S2	877.2987	NA	PeJP	NA	NA
+PJ062868	CCNDMHR 	C31H51N13O11S3	877.2993	NA	PeJP	NA	NA
+PJ062869	GGCCDMHR 	C31H51N13O11S3	877.2994	NA	PeJP	NA	NA
+PJ062870	PCCMMFF 	C39H55N7O8S4	877.2995	NA	PeJP	NA	NA
+PJ062871	GSCCHWW 	C39H47N11O9S2	877.3	NA	PeJP	NA	NA
+PJ062872	PDEEEEM 	C34H51N7O18S	877.3012	NA	PeJP	NA	NA
+PJ062873	SSEMMMY 	C35H55N7O13S3	877.302	NA	PeJP	NA	NA
+PJ062874	GSSSCDHW 	C35H47N11O14S	877.3025	NA	PeJP	NA	NA
+PJ062875	GMMMMMF 	C36H59N7O8S5	877.3029	NA	PeJP	NA	NA
+PJ062876	GCNMMHW 	C36H51N11O9S3	877.3034	NA	PeJP	NA	NA
+PJ062877	NDDDDER 	C31H47N11O19	877.305	NA	PeJP	NA	NA
+PJ062878	GSSNDMMH 	C32H51N11O14S2	877.3059	NA	PeJP	NA	NA
+PJ062879	GPCDDWW 	C40H47N9O12S	877.3065	NA	PeJP	NA	NA
+PJ062880	CCCCKRY 	C33H55N11O9S4	877.3067	NA	PeJP	NA	NA
+PJ062881	PPPCCCCR 	C33H55N11O9S4	877.3068	NA	PeJP	NA	NA
+PJ062882	CCNQHHH 	C33H47N15O10S2	877.3072	NA	PeJP	NA	NA
+PJ062883	GNDEEEW 	C36H47N9O17	877.309	NA	PeJP	NA	NA
+PJ062884	GSPPCCEW 	C37H51N9O12S2	877.3099	NA	PeJP	NA	NA
+PJ062885	GSSSSSTCY 	C33H51N9O17S	877.3124	NA	PeJP	NA	NA
+PJ062886	GDDDFFY 	C41H47N7O15	877.3131	NA	PeJP	NA	NA
+PJ062887	GSSCCKMY 	C34H55N9O12S3	877.3133	NA	PeJP	NA	NA
+PJ062888	CNNNNNW 	C34H47N13O13S	877.3137	NA	PeJP	NA	NA
+PJ062889	GGGGGGCNNW 	C34H47N13O13S	877.3138	NA	PeJP	NA	NA
+PJ062890	CEMFYW 	C42H51N7O10S2	877.3139	NA	PeJP	NA	NA
+PJ062891	ACCCHRW 	C35H51N13O8S3	877.3146	NA	PeJP	NA	NA
+PJ062892	SSNNNNND 	C30H47N13O18	877.3162	NA	PeJP	NA	NA
+PJ062893	GGGGGGSSNND 	C30H47N13O18	877.3163	NA	PeJP	NA	NA
+PJ062894	GSEEMYY 	C38H51N7O15S	877.3164	NA	PeJP	NA	NA
+PJ062895	GSSCCEHR 	C31H51N13O13S2	877.3171	NA	PeJP	NA	NA
+PJ062896	APCMMYY 	C39H55N7O10S3	877.3173	NA	PeJP	NA	NA
+PJ062897	GCNDHFW 	C39H47N11O11S	877.3178	NA	PeJP	NA	NA
+PJ062898	VDEEEEE 	C34H51N7O20	877.3189	NA	PeJP	NA	NA
+PJ062899	GDDDDRW 	C35H47N11O16	877.3203	NA	PeJP	NA	NA
+PJ062900	ATMMMMY 	C36H59N7O10S4	877.3206	NA	PeJP	NA	NA
+PJ062901	SSCQMHW 	C36H51N11O11S2	877.3211	NA	PeJP	NA	NA
+PJ062902	GGGGGGPCMW 	C36H51N11O11S2	877.3212	NA	PeJP	NA	NA
+PJ062903	GSPCDDER 	C32H51N11O16S	877.3236	NA	PeJP	NA	NA
+PJ062904	GGGGGGQEEM 	C32H51N11O16S	877.3237	NA	PeJP	NA	NA
+PJ062905	NDEEWW 	C40H47N9O14	877.3243	NA	PeJP	NA	NA
+PJ062906	GPPCCDMR 	C33H55N11O11S3	877.3245	NA	PeJP	NA	NA
+PJ062907	GSSCNHHH 	C33H47N15O12S	877.325	NA	PeJP	NA	NA
+PJ062908	SPPCCWW 	C41H51N9O9S2	877.3251	NA	PeJP	NA	NA
+PJ062909	PTCDQEW 	C37H51N9O14S	877.3276	NA	PeJP	NA	NA
+PJ062910	SPNDEMW 	C37H51N9O14S	877.3277	NA	PeJP	NA	NA
+PJ062911	PPCNMMW 	C38H55N9O9S3	877.3285	NA	PeJP	NA	NA
+PJ062912	SSSSSSSSY 	C33H51N9O19	877.3301	NA	PeJP	NA	NA
+PJ062913	TNQEEEE 	C33H51N9O19	877.3302	NA	PeJP	NA	NA
+PJ062914	SSSTCCKY 	C34H55N9O14S2	877.331	NA	PeJP	NA	NA
+PJ062915	GSPNDDHH 	C34H47N13O15	877.3315	NA	PeJP	NA	NA
+PJ062916	SEMYYW 	C42H51N7O12S	877.3317	NA	PeJP	NA	NA
+PJ062917	CCCKKMY 	C35H59N9O9S4	877.3319	NA	PeJP	NA	NA
+PJ062918	SSCCHRW 	C35H51N13O10S2	877.3324	NA	PeJP	NA	NA
+PJ062919	SSTEEYY 	C38H51N7O17	877.3342	NA	PeJP	NA	NA
+PJ062920	SSSSCDHR 	C31H51N13O15S	877.3349	NA	PeJP	NA	NA
+PJ062921	AAEMMYY 	C39H55N7O12S2	877.335	NA	PeJP	NA	NA
+PJ062922	GSNNDWW 	C39H47N11O13	877.3355	NA	PeJP	NA	NA
+PJ062923	SCNMMHR 	C32H55N13O10S3	877.3357	NA	PeJP	NA	NA
+PJ062924	GCMHHFF 	C40H51N11O8S2	877.3364	NA	PeJP	NA	NA
+PJ062925	TTTMMMY 	C36H59N7O12S3	877.3384	NA	PeJP	NA	NA
+PJ062926	SPCDDRW 	C36H51N11O13S	877.3389	NA	PeJP	NA	NA
+PJ062927	GDEWWW 	C44H47N9O11	877.3395	NA	PeJP	NA	NA
+PJ062928	ACCKMHW 	C37H55N11O8S3	877.3398	NA	PeJP	NA	NA
+PJ062929	SNDEEER 	C32H51N11O18	877.3414	NA	PeJP	NA	NA
+PJ062930	PNDDMMR 	C33H55N11O13S2	877.3423	NA	PeJP	NA	NA
+PJ062931	NNNNEHH 	C33H47N15O14	877.3427	NA	PeJP	NA	NA
+PJ062932	GGGGGGNEHH 	C33H47N15O14	877.3428	NA	PeJP	NA	NA
+PJ062933	GSPDMWW 	C41H51N9O11S	877.3429	NA	PeJP	NA	NA
+PJ062934	CCNKHHH 	C34H51N15O9S2	877.3436	NA	PeJP	NA	NA
+PJ062935	GTQEEEW 	C37H51N9O16	877.3454	NA	PeJP	NA	NA
+PJ062936	GSCNNNNR 	C30H51N15O14S	877.3461	NA	PeJP	NA	NA
+PJ062937	GPQEMMW 	C38H55N9O11S2	877.3463	NA	PeJP	NA	NA
+PJ062938	GDEHHHF 	C38H47N13O12	877.3468	NA	PeJP	NA	NA
+PJ062939	PCFYYW 	C46H51N7O9S	877.3469	NA	PeJP	NA	NA
+PJ062940	TCCCHRR 	C31H55N15O9S3	877.347	NA	PeJP	NA	NA
+PJ062941	MMHHHW 	C39H51N13O7S2	877.3476	NA	PeJP	NA	NA
+PJ062942	VNQEEEM 	C34H55N9O16S	877.3488	NA	PeJP	NA	NA
+PJ062943	GSPEYYY 	C42H51N7O14	877.3494	NA	PeJP	NA	NA
+PJ062944	SLEMMMH 	C35H59N9O11S3	877.3496	NA	PeJP	NA	NA
+PJ062945	TLDMMMH 	C35H59N9O11S3	877.3497	NA	PeJP	NA	NA
+PJ062946	GCNNERW 	C35H51N13O12S	877.3501	NA	PeJP	NA	NA
+PJ062947	CLMYYW 	C43H55N7O9S2	877.3503	NA	PeJP	NA	NA
+PJ062948	ACHHHHH 	C36H47N17O8S	877.3515	NA	PeJP	NA	NA
+PJ062949	SDDDDRR 	C31H51N13O17	877.3526	NA	PeJP	NA	NA
+PJ062950	GGGGGGGGGGSTT 	C31H51N13O17	877.3527	NA	PeJP	NA	NA
+PJ062951	ATTEMYY 	C39H55N7O14S	877.3528	NA	PeJP	NA	NA
+PJ062952	PCCDERR 	C32H55N13O12S2	877.3535	NA	PeJP	NA	NA
+PJ062953	GVMMMFY 	C40H59N7O9S3	877.3537	NA	PeJP	NA	NA
+PJ062954	NNQMWW 	C40H51N11O10S	877.3541	NA	PeJP	NA	NA
+PJ062955	GGGGQMWW 	C40H51N11O10S	877.3542	NA	PeJP	NA	NA
+PJ062956	DWWWW 	C48H47N9O8	877.3548	NA	PeJP	NA	NA
+PJ062957	TLEEEEE 	C35H55N7O19	877.3553	NA	PeJP	NA	NA
+PJ062958	PLEEEMM 	C36H59N7O14S2	877.3562	NA	PeJP	NA	NA
+PJ062959	ASDDERW 	C36H51N11O15	877.3566	NA	PeJP	NA	NA
+PJ062960	GSDEERW 	C36H51N11O15	877.3567	NA	PeJP	NA	NA
+PJ062961	GPCEMRW 	C37H55N11O10S2	877.3575	NA	PeJP	NA	NA
+PJ062962	GNNNHHW 	C37H47N15O11	877.358	NA	PeJP	NA	NA
+PJ062963	PTCWWW 	C45H51N9O8S	877.3582	NA	PeJP	NA	NA
+PJ062964	GQEEEMR 	C33H55N11O15S	877.36	NA	PeJP	NA	NA
+PJ062965	NQQYYY 	C41H51N9O13	877.3606	NA	PeJP	NA	NA
+PJ062966	TQEEWW 	C41H51N9O13	877.3607	NA	PeJP	NA	NA
+PJ062967	GSPPCMMR 	C34H59N11O10S3	877.3609	NA	PeJP	NA	NA
+PJ062968	PCNDHHR 	C34H51N15O11S	877.3614	NA	PeJP	NA	NA
+PJ062969	PQMMWW 	C42H55N9O8S2	877.3615	NA	PeJP	NA	NA
+PJ062970	DHHHFW 	C42H47N13O9	877.362	NA	PeJP	NA	NA
+PJ062971	GVQEEMW 	C38H55N9O13S	877.364	NA	PeJP	NA	NA
+PJ062972	GGGLEEMW 	C38H55N9O13S	877.3641	NA	PeJP	NA	NA
+PJ062973	SPYYYW 	C46H51N7O11	877.3647	NA	PeJP	NA	NA
+PJ062974	MMMFRY 	C39H59N9O8S3	877.3649	NA	PeJP	NA	NA
+PJ062975	CNNRWW 	C39H51N13O9S	877.3654	NA	PeJP	NA	NA
+PJ062976	SQKEEEE 	C34H55N9O18	877.3665	NA	PeJP	NA	NA
+PJ062977	GGTKEEEE 	C34H55N9O18	877.3666	NA	PeJP	NA	NA
+PJ062978	PNKEEMM 	C35H59N9O13S2	877.3674	NA	PeJP	NA	NA
+PJ062979	SSNNDRW 	C35H51N13O14	877.3679	NA	PeJP	NA	NA
+PJ062980	AAPMYYY 	C43H55N7O11S	877.3681	NA	PeJP	NA	NA
+PJ062981	VVMMMMH 	C36H63N9O8S4	877.3683	NA	PeJP	NA	NA
+PJ062982	ACNMHFR 	C36H55N13O9S2	877.3687	NA	PeJP	NA	NA
+PJ062983	GCQMHFR 	C36H55N13O9S2	877.3688	NA	PeJP	NA	NA
+PJ062984	SSHHHHH 	C36H47N17O10	877.3692	NA	PeJP	NA	NA
+PJ062985	TTTTEYY 	C39H55N7O16	877.3705	NA	PeJP	NA	NA
+PJ062986	PVEEEEF 	C39H55N7O16	877.3706	NA	PeJP	NA	NA
+PJ062987	SSSSSMHR 	C32H55N13O14S	877.3712	NA	PeJP	NA	NA
+PJ062988	GDDEMRR 	C32H55N13O14S	877.3713	NA	PeJP	NA	NA
+PJ062989	GTLMMYY 	C40H59N7O11S2	877.3714	NA	PeJP	NA	NA
+PJ062990	SDERWW 	C40H51N11O12	877.3719	NA	PeJP	NA	NA
+PJ062991	TCCKMHR 	C33H59N13O9S3	877.3721	NA	PeJP	NA	NA
+PJ062992	PCMRWW 	C41H55N11O7S2	877.3728	NA	PeJP	NA	NA
+PJ062993	VLEEEEM 	C36H59N7O16S	877.3739	NA	PeJP	NA	NA
+PJ062994	QEEMRW 	C37H55N11O12S	877.3753	NA	PeJP	NA	NA
+PJ062995	ATEWWW 	C45H51N9O10	877.3759	NA	PeJP	NA	NA
+PJ062996	STQEEER 	C33H55N11O17	877.3778	NA	PeJP	NA	NA
+PJ062997	SPQEMMR 	C34H59N11O12S2	877.3786	NA	PeJP	NA	NA
+PJ062998	GGPTEMMR 	C34H59N11O12S2	877.3787	NA	PeJP	NA	NA
+PJ062999	GNEEHHR 	C34H51N15O13	877.3791	NA	PeJP	NA	NA
+PJ063000	VQEMWW 	C42H55N9O10S	877.3793	NA	PeJP	NA	NA
+PJ063001	GCCHFRR 	C35H55N15O8S2	877.38	NA	PeJP	NA	NA
+PJ063002	GTKEEEW 	C38H55N9O15	877.3818	NA	PeJP	NA	NA
+PJ063003	SCNNERR 	C31H55N15O13S	877.3825	NA	PeJP	NA	NA
+PJ063004	GPKEMMW 	C39H59N9O10S2	877.3827	NA	PeJP	NA	NA
+PJ063005	AAQEHHW 	C39H51N13O11	877.3831	NA	PeJP	NA	NA
+PJ063006	GGGVEHHW 	C39H51N13O11	877.3832	NA	PeJP	NA	NA
+PJ063007	CLFFYW 	C47H55N7O8S	877.3833	NA	PeJP	NA	NA
+PJ063008	VNKEEEM 	C35H59N9O15S	877.3852	NA	PeJP	NA	NA
+PJ063009	LQEYYY 	C43H55N7O13	877.3858	NA	PeJP	NA	NA
+PJ063010	GSPPKMMM 	C36H63N9O10S3	877.386	NA	PeJP	NA	NA
+PJ063011	GGAAPLMMM 	C36H63N9O10S3	877.3861	NA	PeJP	NA	NA
+PJ063012	DDMRRW 	C36H55N13O11S	877.3865	NA	PeJP	NA	NA
+PJ063013	GVMMFFF 	C44H59N7O8S2	877.3867	NA	PeJP	NA	NA
+PJ063014	NQHFFW 	C44H51N11O9	877.3872	NA	PeJP	NA	NA
+PJ063015	SSDEERR 	C32H55N13O16	877.389	NA	PeJP	NA	NA
+PJ063016	STTLMYY 	C40H59N7O13S	877.3892	NA	PeJP	NA	NA
+PJ063017	SPCEMRR 	C33H59N13O11S2	877.3899	NA	PeJP	NA	NA
+PJ063018	SNNNHHR 	C33H51N17O12	877.3903	NA	PeJP	NA	NA
+PJ063019	GGSNNHHR 	C33H51N17O12	877.3904	NA	PeJP	NA	NA
+PJ063020	AEMRWW 	C41H55N11O9S	877.3905	NA	PeJP	NA	NA
+PJ063021	GPFWWW 	C49H51N9O7	877.3912	NA	PeJP	NA	NA
+PJ063022	GTTEERW 	C37H55N11O14	877.393	NA	PeJP	NA	NA
+PJ063023	GGGGGGPKEY 	C37H55N11O14	877.3931	NA	PeJP	NA	NA
+PJ063024	GPTMMRW 	C38H59N11O9S2	877.3939	NA	PeJP	NA	NA
+PJ063025	NEHHRW 	C38H51N15O10	877.3944	NA	PeJP	NA	NA
+PJ063026	GLMWWW 	C46H55N9O7S	877.3946	NA	PeJP	NA	NA
+PJ063027	GKEEEMR 	C34H59N11O14S	877.3964	NA	PeJP	NA	NA
+PJ063028	SPTTTWW 	C42H55N9O12	877.397	NA	PeJP	NA	NA
+MJ096754	Yunnanin F 	C42H55N9O12	877.397018	NA	MeJP	NA	NA
+PJ063029	TKEEWW 	C42H55N9O12	877.3971	NA	PeJP	NA	NA
+PJ063030	PVNMMMR 	C35H63N11O9S3	877.3973	NA	PeJP	NA	NA
+PJ063031	GSCNRRW 	C35H55N15O10S	877.3977	NA	PeJP	NA	NA
+PJ063032	GGGSCRRW 	C35H55N15O10S	877.3978	NA	PeJP	NA	NA
+PJ063033	PKMMWW 	C43H59N9O7S2	877.3979	NA	PeJP	NA	NA
+PJ063034	VNHHWW 	C43H51N13O8	877.3984	NA	PeJP	NA	NA
+PJ063035	GSSSNDRR 	C31H55N15O15	877.4002	NA	PeJP	NA	NA
+PJ063036	GGGSSSDRR 	C31H55N15O15	877.4003	NA	PeJP	NA	NA
+PJ063037	GVKEEMW 	C39H59N9O12S	877.4004	NA	PeJP	NA	NA
+PJ063038	ALYYYW 	C47H55N7O10	877.4011	NA	PeJP	NA	NA
+PJ063039	APCKHHW 	C40H55N13O8S	877.4018	NA	PeJP	NA	NA
+PJ063040	SKKEEEE 	C35H59N9O17	877.4029	NA	PeJP	NA	NA
+PJ063041	PDKKEMM 	C36H63N9O12S2	877.4038	NA	PeJP	NA	NA
+PJ063042	SSSQQRW 	C36H55N13O13	877.4043	NA	PeJP	NA	NA
+PJ063043	AALMFYY 	C44H59N7O10S	877.4044	NA	PeJP	NA	NA
+PJ063044	PPCCFRR 	C37H59N13O8S2	877.4051	NA	PeJP	NA	NA
+PJ063045	PVLEEEY 	C40H59N7O15	877.407	NA	PeJP	NA	NA
+PJ063046	GTEEMRR 	C33H59N13O13S	877.4076	NA	PeJP	NA	NA
+PJ063047	GGGGSKEMR 	C33H59N13O13S	877.4077	NA	PeJP	NA	NA
+PJ063048	TTERWW 	C41H55N11O11	877.4083	NA	PeJP	NA	NA
+PJ063049	GPMMMRR 	C34H63N13O8S3	877.4085	NA	PeJP	NA	NA
+PJ063050	GHHRWW 	C42H51N15O7	877.4096	NA	PeJP	NA	NA
+PJ063051	SPTTMRW 	C38H59N11O11S	877.4116	NA	PeJP	NA	NA
+PJ063052	KEEMRW 	C38H59N11O11S	877.4117	NA	PeJP	NA	NA
+PJ063053	STLWWW 	C46H55N9O9	877.4123	NA	PeJP	NA	NA
+PJ063054	GCCQRRR 	C31H59N17O9S2	877.4124	NA	PeJP	NA	NA
+PJ063055	SSPTTTER 	C34H59N11O16	877.4141	NA	PeJP	NA	NA
+PJ063056	STKEEER 	C34H59N11O16	877.4142	NA	PeJP	NA	NA
+PJ063057	SPKEMMR 	C35H63N11O11S2	877.415	NA	PeJP	NA	NA
+PJ063058	GGGGGALKMM 	C35H63N11O11S2	877.4151	NA	PeJP	NA	NA
+PJ063059	GNNDFRR 	C35H55N15O12	877.4155	NA	PeJP	NA	NA
+PJ063060	VKEMWW 	C43H59N9O9S	877.4157	NA	PeJP	NA	NA
+PJ063061	SSLKEEW 	C39H59N9O14	877.4182	NA	PeJP	NA	NA
+PJ063062	SSNQMRR 	C32H59N15O12S	877.4189	NA	PeJP	NA	NA
+PJ063063	AVLQMMW 	C40H63N9O9S2	877.419	NA	PeJP	NA	NA
+PJ063064	SPVKMMW 	C40H63N9O9S2	877.4191	NA	PeJP	NA	NA
+PJ063065	NQQFRW 	C40H55N13O10	877.4195	NA	PeJP	NA	NA
+PJ063066	SPTTTLQM 	C36H63N9O14S	877.4215	NA	PeJP	NA	NA
+PJ063067	VDKKEEM 	C36H63N9O14S	877.4216	NA	PeJP	NA	NA
+PJ063068	LKEYYY 	C44H59N7O12	877.4222	NA	PeJP	NA	NA
+PJ063069	PLQKMMM 	C37H67N9O9S3	877.4224	NA	PeJP	NA	NA
+PJ063070	TEMRRW 	C37H59N13O10S	877.4229	NA	PeJP	NA	NA
+PJ063071	APRYWW 	C45H55N11O8	877.4235	NA	PeJP	NA	NA
+PJ063072	GPPVHWW 	C45H55N11O8	877.4236	NA	PeJP	NA	NA
+PJ063073	STTEERR 	C33H59N13O15	877.4254	NA	PeJP	NA	NA
+PJ063074	PLLEEMF 	C41H63N7O12S	877.4256	NA	PeJP	NA	NA
+PJ063075	GVEMMRR 	C34H63N13O10S2	877.4263	NA	PeJP	NA	NA
+PJ063076	GSEHHRR 	C34H55N17O11	877.4267	NA	PeJP	NA	NA
+PJ063077	SLMRWW 	C42H59N11O8S	877.4269	NA	PeJP	NA	NA
+PJ063078	LLLEEMM 	C38H67N7O12S2	877.429	NA	PeJP	NA	NA
+PJ063079	SSTLERW 	C38H59N11O13	877.4294	NA	PeJP	NA	NA
+3590	heparin-binding peptide	FKCAAWQWAMKKLGA	877.4297	MH2+	Inhouse_peptide	NA	peptide
+PJ063080	SSCNRRR 	C31H59N17O11S	877.4301	NA	PeJP	NA	NA
+PJ063081	AALMMRW 	C39H63N11O8S2	877.4303	NA	PeJP	NA	NA
+PJ063082	DKHHRW 	C39H55N15O9	877.4308	NA	PeJP	NA	NA
+PJ063083	SVKEEMR 	C35H63N11O13S	877.4328	NA	PeJP	NA	NA
+PJ063084	SSSLLWW 	C43H59N9O11	877.4334	NA	PeJP	NA	NA
+PJ063085	GGGLLEFW 	C43H59N9O11	877.4335	NA	PeJP	NA	NA
+PJ063086	PCLKMMR 	C36H67N11O8S3	877.4337	NA	PeJP	NA	NA
+PJ063087	GLQMHHR 	C36H59N15O9S	877.4341	NA	PeJP	NA	NA
+PJ063088	PPHRWW 	C44H55N13O7	877.4348	NA	PeJP	NA	NA
+PJ063089	GSSSTQRR 	C32H59N15O14	877.4366	NA	PeJP	NA	NA
+PJ063090	ATLKEMW 	C40H63N9O11S	877.4368	NA	PeJP	NA	NA
+PJ063091	AALFFFY 	C48H59N7O9	877.4375	NA	PeJP	NA	NA
+PJ063092	GTTTLKEE 	C36H63N9O16	877.4393	NA	PeJP	NA	NA
+PJ063093	VLQKEMM 	C37H67N9O11S2	877.4402	NA	PeJP	NA	NA
+PJ063094	SSSQKRW 	C37H59N13O12	877.4406	NA	PeJP	NA	NA
+PJ063095	GGSSTKRW 	C37H59N13O12	877.4407	NA	PeJP	NA	NA
+PJ063096	VMMRRW 	C38H63N13O7S2	877.4415	NA	PeJP	NA	NA
+PJ063097	SHHRRW 	C38H55N17O8	877.442	NA	PeJP	NA	NA
+PJ063098	VLLEEEF 	C41H63N7O14	877.4433	NA	PeJP	NA	NA
+PJ063099	SSLEMRR 	C34H63N13O12S	877.444	NA	PeJP	NA	NA
+PJ063100	GSSKKWW 	C42H59N11O10	877.4447	NA	PeJP	NA	NA
+PJ063101	AAMHHRR 	C35H59N17O8S	877.4454	NA	PeJP	NA	NA
+PJ063102	ATTLMRW 	C39H63N11O10S	877.448	NA	PeJP	NA	NA
+PJ063103	GGATKKMW 	C39H63N11O10S	877.4481	NA	PeJP	NA	NA
+PJ063104	PVKYWW 	C47H59N9O8	877.4487	NA	PeJP	NA	NA
+PJ063105	SSSSLLER 	C35H63N11O15	877.4505	NA	PeJP	NA	NA
+PJ063106	GSSDKKKE 	C35H63N11O15	877.4506	NA	PeJP	NA	NA
+PJ063107	ALKEMMR 	C36H67N11O10S2	877.4514	NA	PeJP	NA	NA
+PJ063108	QQQRRY 	C36H59N15O11	877.4519	NA	PeJP	NA	NA
+PJ063109	GPLKMFW 	C44H63N9O8S	877.4521	NA	PeJP	NA	NA
+PJ063110	TTTLKEW 	C40H63N9O13	877.4546	NA	PeJP	NA	NA
+PJ063111	SSNKMRR 	C33H63N15O11S	877.4553	NA	PeJP	NA	NA
+PJ063112	GLLKMMW 	C41H67N9O8S2	877.4554	NA	PeJP	NA	NA
+PJ063113	PTRRYW 	C41H59N13O9	877.4559	NA	PeJP	NA	NA
+PJ063114	TLKKEEM 	C37H67N9O13S	877.4579	NA	PeJP	NA	NA
+MJ096755	Kahalalide B 	C45H63N7O11	877.458555	NA	MeJP	NA	NA
+PJ063115	PPLLEFY 	C45H63N7O11	877.4586	NA	PeJP	NA	NA
+PJ063116	PLKKMMM 	C38H71N9O8S3	877.4588	NA	PeJP	NA	NA
+PJ063117	GTCKKRW 	C38H63N13O9S	877.4593	NA	PeJP	NA	NA
+PJ063118	ALFRWW 	C46H59N11O7	877.4599	NA	PeJP	NA	NA
+PJ063119	GSSSKKER 	C34H63N13O14	877.4618	NA	PeJP	NA	NA
+PJ063120	PLLLEMY 	C42H67N7O11S	877.462	NA	PeJP	NA	NA
+PJ063121	ATLMMRR 	C35H67N13O9S2	877.4626	NA	PeJP	NA	NA
+PJ063122	SVVMMRR 	C35H67N13O9S2	877.4627	NA	PeJP	NA	NA
+PJ063123	NNRRRY 	C35H59N17O10	877.4631	NA	PeJP	NA	NA
+PJ063124	CKKKWW 	C43H63N11O7S	877.4633	NA	PeJP	NA	NA
+MJ096756	Kurstakin; Kurstakin A 	C39H63N11O12	877.465766	NA	MeJP	NA	NA
+PJ063125	TTTTLRW 	C39H63N11O12	877.4658	NA	PeJP	NA	NA
+PJ063126	GPKHHFR 	C40H59N15O8	877.4672	NA	PeJP	NA	NA
+PJ063127	TTLKEMR 	C36H67N11O12S	877.4692	NA	PeJP	NA	NA
+PJ063128	APTLKYW 	C44H63N9O10	877.4698	NA	PeJP	NA	NA
+PJ063129	PMRRRY 	C37H63N15O8S	877.4705	NA	PeJP	NA	NA
+PJ063130	GSSSTKRR 	C33H63N15O13	877.473	NA	PeJP	NA	NA
+PJ063131	STLLKMW 	C41H67N9O10S	877.4732	NA	PeJP	NA	NA
+PJ063132	GCKKMRR 	C34H67N15O8S2	877.4739	NA	PeJP	NA	NA
+PJ063133	SSTTLLKE 	C37H67N9O15	877.4757	NA	PeJP	NA	NA
+PJ063134	VLKKEMM 	C38H71N9O10S2	877.4766	NA	PeJP	NA	NA
+PJ063135	SSSKKRW 	C38H63N13O11	877.477	NA	PeJP	NA	NA
+PJ063136	GGGGALKRY 	C38H63N13O11	877.4771	NA	PeJP	NA	NA
+PJ063137	VLLLEEY 	C42H67N7O13	877.4797	NA	PeJP	NA	NA
+PJ063138	TTTLMRR 	C35H67N13O11S	877.4804	NA	PeJP	NA	NA
+PJ063139	LLQRYW 	C43H63N11O9	877.4811	NA	PeJP	NA	NA
+PJ063140	GTKKKMW 	C40H67N11O9S	877.4844	NA	PeJP	NA	NA
+PJ063141	VLKFWW 	C48H63N9O7	877.4851	NA	PeJP	NA	NA
+PJ063142	SSTTTLLR 	C36H67N11O14	877.4869	NA	PeJP	NA	NA
+PJ063143	SLLKMMR 	C37H71N11O9S2	877.4878	NA	PeJP	NA	NA
+PJ063144	VERRRY 	C37H63N15O10	877.4883	NA	PeJP	NA	NA
+PJ063145	PTLKKEY 	C41H67N9O12	877.4909	NA	PeJP	NA	NA
+PJ063146	GGVLLKEY 	C41H67N9O12	877.491	NA	PeJP	NA	NA
+PJ063147	STCKKRR 	C34H67N15O10S	877.4916	NA	PeJP	NA	NA
+PJ063148	VVRRYW 	C42H63N13O8	877.4923	NA	PeJP	NA	NA
+PJ063149	SSSLLLKM 	C38H71N9O12S	877.4943	NA	PeJP	NA	NA
+PJ063150	PPLLLYY 	C46H67N7O10	877.495	NA	PeJP	NA	NA
+PJ063151	GVLMFRR 	C39H67N13O8S	877.4957	NA	PeJP	NA	NA
+PJ063152	GSTTTKKR 	C35H67N13O13	877.4982	NA	PeJP	NA	NA
+PJ063153	LLLLEMF 	C43H71N7O10S	877.4984	NA	PeJP	NA	NA
+PJ063154	GKKKMMR 	C36H71N13O8S2	877.499	NA	PeJP	NA	NA
+PJ063155	GPQKHRR 	C36H63N17O9	877.4995	NA	PeJP	NA	NA
+PJ063156	STTKKKW 	C40H67N11O11	877.5022	NA	PeJP	NA	NA
+PJ063157	PFFRRR 	C41H63N15O7	877.5035	NA	PeJP	NA	NA
+PJ063158	SKKKKEM 	C37H71N11O11S	877.5056	NA	PeJP	NA	NA
+MJ096757	Pseudostellarin E 	C45H67N9O9	877.506174	NA	MeJP	NA	NA
+PJ063159	GVLLKYW 	C45H67N9O9	877.5062	NA	PeJP	NA	NA
+PJ063160	LMFRRR 	C38H67N15O7S	877.5069	NA	PeJP	NA	NA
+PJ063161	PVLKKMY 	C42H71N9O9S	877.5096	NA	PeJP	NA	NA
+PJ063162	TTTTTLLK 	C38H71N9O14	877.5121	NA	PeJP	NA	NA
+PJ063163	GTLLRRY 	C39H67N13O10	877.5134	NA	PeJP	NA	NA
+PJ063164	STKKKMR 	C36H71N13O10S	877.5168	NA	PeJP	NA	NA
+PJ063165	LLKRYW 	C44H67N11O8	877.5174	NA	PeJP	NA	NA
+PJ063166	PPPLLRW 	C44H67N11O8	877.5175	NA	PeJP	NA	NA
+PJ063167	ALLKMFR 	C41H71N11O8S	877.5208	NA	PeJP	NA	NA
+PJ063168	SSSTLKKK 	C37H71N11O13	877.5233	NA	PeJP	NA	NA
+PJ063169	CLKKKKM 	C38H75N11O8S2	877.5242	NA	PeJP	NA	NA
+PJ063170	QKKRRY 	C38H67N15O9	877.5247	NA	PeJP	NA	NA
+PJ063171	VVLKKEY 	C42H71N9O11	877.5273	NA	PeJP	NA	NA
+PJ063172	PPPVVLKE 	C42H71N9O11	877.5274	NA	PeJP	NA	NA
+PJ063173	PLLLLFY 	C47H71N7O9	877.5314	NA	PeJP	NA	NA
+PJ063174	LLLLLMY 	C44H75N7O9S	877.5347	NA	PeJP	NA	NA
+PJ063175	GPKKHRR 	C37H67N17O8	877.5359	NA	PeJP	NA	NA
+PJ063176	SVLLKRY 	C41H71N11O10	877.5386	NA	PeJP	NA	NA
+PJ063177	PVLKKFF 	C46H71N9O8	877.5426	NA	PeJP	NA	NA
+PJ063178	VLLKKMF 	C43H75N9O8S	877.546	NA	PeJP	NA	NA
+PJ063179	GVKKKRY 	C40H71N13O9	877.5498	NA	PeJP	NA	NA
+PJ063180	KKKRRY 	C39H71N15O8	877.561	NA	PeJP	NA	NA
+PJ063181	ALLLHRR 	C39H71N15O8	877.5611	NA	PeJP	NA	NA
+HMDB08748	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H80NO8P	877.562134	NA	HMDB2010	NA	NA
+PJ063182	TLLLKKY 	C43H75N9O10	877.5637	NA	PeJP	NA	NA
+PJ063183	LLLLLFF 	C48H75N7O8	877.5678	NA	PeJP	NA	NA
+PJ063184	ALKKKKY 	C42H75N11O9	877.575	NA	PeJP	NA	NA
+EUR1022	PC 40:7 [M+FA-H]-	C48H82NO8P	877.582687	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1022	PC 40:7 [M+FA-H]-	C48H82NO8P	877.582687	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1022	PC 40:7 [M+FA-H]-	C48H82NO8P	877.582687	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1022	PC 40:7 [M+FA-H]-	C48H82NO8P	877.582687	masses lipides attendues	Inhousejuil11	NA	NA
+PJ063185	VLLLKHR 	C41H75N13O8	877.5862	NA	PeJP	NA	NA
+PJ063186	PPVVLLLK 	C44H79N9O9	877.6001	NA	PeJP	NA	NA
+HMDB09607	PE(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	C51H92NO8P	877.656067	NA	HMDB2010	NA	NA
+HMDB09640	PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	C51H92NO8P	877.656067	NA	HMDB2010	NA	NA
+HMDB09673	PE(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	C51H92NO8P	877.656067	NA	HMDB2010	NA	NA
+HMDB09736	PE(24:0/22:5(4Z,7Z,10Z,13Z,16Z))	C51H92NO8P	877.656067	NA	HMDB2010	NA	NA
+HMDB09737	PE(24:0/22:5(7Z,10Z,13Z,16Z,19Z))	C51H92NO8P	877.656067	NA	HMDB2010	NA	NA
+HMDB09768	PE(24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	C51H92NO8P	877.656067	NA	HMDB2010	NA	NA
+HMDB13456	PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))	C52H96NO7P	877.692444	NA	HMDB2010	NA	NA
+PJ063187	CCCCCDDD 	C27H42N8O15S5	878.1374	NA	PeJP	NA	NA
+PJ063188	CCCCCCNQ 	C27H46N10O11S6	878.1672	NA	PeJP	NA	NA
+PJ063189	SCCCCDDM 	C28H46N8O14S5	878.1737	NA	PeJP	NA	NA
+PJ063190	GSSCCCCCN 	C27H46N10O13S5	878.185	NA	PeJP	NA	NA
+PJ063191	GCCCCEMM 	C29H50N8O11S6	878.1924	NA	PeJP	NA	NA
+PJ063192	CCCCCCNK 	C28H50N10O10S6	878.2036	NA	PeJP	NA	NA
+PJ063193	GCCCCDEF 	C32H46N8O13S4	878.2068	NA	PeJP	NA	NA
+PJ063194	CCCCMMW 	C33H50N8O8S6	878.2076	NA	PeJP	NA	NA
+PJ063195	SSCCCDMM 	C29H50N8O13S5	878.2101	NA	PeJP	NA	NA
+PJ063196	ACCCCCHH 	C30H46N12O9S5	878.2115	NA	PeJP	NA	NA
+PJ063197	GCCDDDDH 	C30H42N10O17S2	878.2171	NA	PeJP	NA	NA
+PJ063198	GCCCCNNY 	C31H46N10O12S4	878.218	NA	PeJP	NA	NA
+PJ063199	CCCCDFW 	C36H46N8O10S4	878.222	NA	PeJP	NA	NA
+PJ063200	GSCCCDEY 	C32H46N8O15S3	878.2245	NA	PeJP	NA	NA
+PJ063201	GPCCCCMY 	C33H50N8O10S5	878.2254	NA	PeJP	NA	NA
+PJ063202	GTCCCMMM 	C30H54N8O10S6	878.2288	NA	PeJP	NA	NA
+PJ063203	SSCCCCHH 	C30H46N12O11S4	878.2292	NA	PeJP	NA	NA
+PJ063204	SPCCCDDH 	C31H46N10O14S3	878.2358	NA	PeJP	NA	NA
+PJ063205	SCCCDYW 	C36H46N8O12S3	878.2398	NA	PeJP	NA	NA
+PJ063206	SSSCCDDY 	C32H46N8O17S2	878.2423	NA	PeJP	NA	NA
+PJ063207	CCNDMMY 	C33H50N8O12S4	878.2431	NA	PeJP	NA	NA
+PJ063208	SSSCCMMM 	C30H54N8O12S5	878.2465	NA	PeJP	NA	NA
+PJ063209	GCCCNNEH 	C30H46N12O13S3	878.247	NA	PeJP	NA	NA
+PJ063210	GNNDDDDD 	C30H42N10O21	878.2526	NA	PeJP	NA	NA
+PJ063211	GGGNDDDDD 	C30H42N10O21	878.2527	NA	PeJP	NA	NA
+PJ063212	GSCDDDMH 	C31H46N10O16S2	878.2535	NA	PeJP	NA	NA
+PJ063213	CCCCERY 	C32H50N10O11S4	878.2544	NA	PeJP	NA	NA
+PJ063214	CCNDDFY 	C36H46N8O14S2	878.2575	NA	PeJP	NA	NA
+PJ063215	ACCCMYW 	C37H50N8O9S4	878.2584	NA	PeJP	NA	NA
+PJ063216	GPDDDDDM 	C32H46N8O19S	878.26	NA	PeJP	NA	NA
+PJ063217	GSSCCEMY 	C33H50N8O14S3	878.2609	NA	PeJP	NA	NA
+PJ063218	CCNMMMF 	C34H54N8O9S5	878.2618	NA	PeJP	NA	NA
+PJ063219	CCCNNHW 	C34H46N12O10S3	878.2622	NA	PeJP	NA	NA
+PJ063220	GGGGCCCHW 	C34H46N12O10S3	878.2623	NA	PeJP	NA	NA
+PJ063221	SSCCNNDH 	C30H46N12O15S2	878.2647	NA	PeJP	NA	NA
+PJ063222	GGGGSSCCDH 	C30H46N12O15S2	878.2648	NA	PeJP	NA	NA
+PJ063223	SCCDEHW 	C35H46N10O13S2	878.2688	NA	PeJP	NA	NA
+PJ063224	PCCCMHW 	C36H50N10O8S4	878.2696	NA	PeJP	NA	NA
+PJ063225	SSSCDDEH 	C31H46N10O18S	878.2713	NA	PeJP	NA	NA
+PJ063226	CNDEMMH 	C32H50N10O13S3	878.2721	NA	PeJP	NA	NA
+PJ063227	GGGGPPCCCE 	C32H50N10O13S3	878.2722	NA	PeJP	NA	NA
+PJ063228	PCDDDEW 	C36H46N8O16S	878.2753	NA	PeJP	NA	NA
+PJ063229	SSCCMYW 	C37H50N8O11S3	878.2761	NA	PeJP	NA	NA
+PJ063230	GAPCCCYY 	C37H50N8O11S3	878.2762	NA	PeJP	NA	NA
+PJ063231	NDDEEEE 	C32H46N8O21	878.2778	NA	PeJP	NA	NA
+PJ063232	SSSSCDMY 	C33H50N8O16S2	878.2786	NA	PeJP	NA	NA
+PJ063233	SPPCDDDM 	C33H50N8O16S2	878.2787	NA	PeJP	NA	NA
+PJ063234	SCNMMMY 	C34H54N8O11S4	878.2795	NA	PeJP	NA	NA
+PJ063235	GCNNNNDE 	C30H46N12O17S	878.2825	NA	PeJP	NA	NA
+PJ063236	CCDDMHR 	C31H50N12O12S3	878.2834	NA	PeJP	NA	NA
+PJ063237	CNDDEHF 	C35H46N10O15S	878.2865	NA	PeJP	NA	NA
+PJ063238	GCDMMHW 	C36H50N10O10S3	878.2874	NA	PeJP	NA	NA
+PJ063239	DDDDDER 	C31H46N10O20	878.289	NA	PeJP	NA	NA
+PJ063240	GSSDDMMH 	C32H50N10O15S2	878.2899	NA	PeJP	NA	NA
+PJ063241	TCCCMRY 	C33H54N10O10S4	878.2908	NA	PeJP	NA	NA
+PJ063242	CCNEHHH 	C33H46N14O11S2	878.2912	NA	PeJP	NA	NA
+PJ063243	ACCCFFW 	C41H50N8O8S3	878.2914	NA	PeJP	NA	NA
+PJ063244	ADDDEEW 	C36H46N8O18	878.293	NA	PeJP	NA	NA
+PJ063245	GDDEEEW 	C36H46N8O18	878.2931	NA	PeJP	NA	NA
+PJ063246	GCNEMYY 	C37H50N8O13S2	878.2939	NA	PeJP	NA	NA
+PJ063247	GSCCCNHR 	C30H50N14O11S3	878.2946	NA	PeJP	NA	NA
+PJ063248	GSPDDEEM 	C33H50N8O18S	878.2964	NA	PeJP	NA	NA
+PJ063249	GSSTCMMY 	C34H54N8O13S3	878.2973	NA	PeJP	NA	NA
+PJ063250	CNNNNDW 	C34H46N12O14S	878.2977	NA	PeJP	NA	NA
+PJ063251	GGCNNNDW 	C34H46N12O14S	878.2978	NA	PeJP	NA	NA
+PJ063252	SSNNNNDD 	C30H46N12O19	878.3002	NA	PeJP	NA	NA
+PJ063253	GGSSNNNDD 	C30H46N12O19	878.3003	NA	PeJP	NA	NA
+PJ063254	GPCCNDDR 	C31H50N12O14S2	878.3011	NA	PeJP	NA	NA
+PJ063255	GGGGGGGGPTCC 	C31H50N12O14S2	878.3012	NA	PeJP	NA	NA
+PJ063256	GCDDHFW 	C39H46N10O12S	878.3018	NA	PeJP	NA	NA
+PJ063257	SNNDDEW 	C35H46N10O17	878.3043	NA	PeJP	NA	NA
+PJ063258	SSCEMHW 	C36H50N10O12S2	878.3051	NA	PeJP	NA	NA
+PJ063259	GGPCNDMW 	C36H50N10O12S2	878.3052	NA	PeJP	NA	NA
+PJ063260	GCCHHHW 	C37H46N14O8S2	878.3065	NA	PeJP	NA	NA
+PJ063261	SSSSDEMH 	C32H50N10O17S	878.3076	NA	PeJP	NA	NA
+PJ063262	GGNNEEEM 	C32H50N10O17S	878.3077	NA	PeJP	NA	NA
+PJ063263	DDEEWW 	C40H46N8O15	878.3083	NA	PeJP	NA	NA
+PJ063264	SNEMMMH 	C33H54N10O12S3	878.3085	NA	PeJP	NA	NA
+PJ063265	GSSCDHHH 	C33H46N14O13S	878.309	NA	PeJP	NA	NA
+PJ063266	CNMYYW 	C41H50N8O10S2	878.3092	NA	PeJP	NA	NA
+PJ063267	SSCQEYY 	C37H50N8O15S	878.3116	NA	PeJP	NA	NA
+PJ063268	SPDDEMW 	C37H50N8O15S	878.3117	NA	PeJP	NA	NA
+PJ063269	PPCDMMW 	C38H54N8O10S3	878.3125	NA	PeJP	NA	NA
+PJ063270	SQEEEEE 	C33H50N8O20	878.3142	NA	PeJP	NA	NA
+PJ063271	SSSSSMMY 	C34H54N8O15S2	878.315	NA	PeJP	NA	NA
+PJ063272	GGPEEEMM 	C34H54N8O15S2	878.3151	NA	PeJP	NA	NA
+PJ063273	GSPDDDHH 	C34H46N12O16	878.3155	NA	PeJP	NA	NA
+PJ063274	TCCKMMY 	C35H58N8O10S4	878.3159	NA	PeJP	NA	NA
+PJ063275	CNNNMHF 	C35H50N12O11S2	878.3164	NA	PeJP	NA	NA
+PJ063276	NNDDDMR 	C31H50N12O16S	878.3189	NA	PeJP	NA	NA
+PJ063277	GSNDDWW 	C39H46N10O14	878.3195	NA	PeJP	NA	NA
+PJ063278	SCDMMHR 	C32H54N12O11S3	878.3197	NA	PeJP	NA	NA
+PJ063279	TCCEMHR 	C32H54N12O11S3	878.3198	NA	PeJP	NA	NA
+PJ063280	GPCCQWW 	C40H50N10O9S2	878.3204	NA	PeJP	NA	NA
+MJ096758	Trioxacarcin A; 7''-Alcohol 	C42H54O20	878.320844	NA	MeJP	NA	NA
+MJ096759	Precorrin 3A 	C43H50N4O16	878.322181	NA	MeJP	NA	NA
+MetaCyc04227	precorrin-3A []	C43H50N4O16	878.322182	NA	metacyc	NA	NA
+C05772	Precorrin 3A	C43H50N4O16	878.3222	NA	KEGG	NA	NA
+PJ063281	GNNEEMW 	C36H50N10O14S	878.3229	NA	PeJP	NA	NA
+PJ063282	GSMMMHW 	C37H54N10O9S3	878.3238	NA	PeJP	NA	NA
+PJ063283	SDDEEER 	C32H50N10O19	878.3254	NA	PeJP	NA	NA
+PJ063284	PDDDMMR 	C33H54N10O14S2	878.3263	NA	PeJP	NA	NA
+PJ063285	NNNDEHH 	C33H46N14O15	878.3267	NA	PeJP	NA	NA
+PJ063286	GGNNDEHH 	C33H46N14O15	878.3268	NA	PeJP	NA	NA
+PJ063287	GSTCYYW 	C41H50N8O12S	878.3269	NA	PeJP	NA	NA
+PJ063288	AQMMMMH 	C34H58N10O9S4	878.3271	NA	PeJP	NA	NA
+PJ063289	GAAMMMMH 	C34H58N10O9S4	878.3272	NA	PeJP	NA	NA
+PJ063290	SCQMHHH 	C34H50N14O10S2	878.3276	NA	PeJP	NA	NA
+PJ063291	GTEEEEW 	C37H50N8O17	878.3294	NA	PeJP	NA	NA
+PJ063292	GSCNNNDR 	C30H50N14O15S	878.3301	NA	PeJP	NA	NA
+PJ063293	GPEEMMW 	C38H54N8O12S2	878.3303	NA	PeJP	NA	NA
+PJ063294	PPCCHHW 	C39H50N12O8S2	878.3316	NA	PeJP	NA	NA
+PJ063295	VNEEEEM 	C34H54N8O17S	878.3328	NA	PeJP	NA	NA
+PJ063296	EEEFYY 	C42H50N6O15	878.3334	NA	PeJP	NA	NA
+PJ063297	GSPPEMMM 	C35H58N8O12S3	878.3337	NA	PeJP	NA	NA
+PJ063298	GCNDERW 	C35H50N12O13S	878.3341	NA	PeJP	NA	NA
+PJ063299	GGGCDERW 	C35H50N12O13S	878.3342	NA	PeJP	NA	NA
+PJ063300	GSSNDDER 	C31H50N12O18	878.3366	NA	PeJP	NA	NA
+PJ063301	GGGSTDDDR 	C31H50N12O18	878.3367	NA	PeJP	NA	NA
+PJ063302	GSPCNDMR 	C32H54N12O13S2	878.3375	NA	PeJP	NA	NA
+PJ063303	NNEMWW 	C40H50N10O11S	878.3382	NA	PeJP	NA	NA
+PJ063304	ACMMMHR 	C33H58N12O8S4	878.3384	NA	PeJP	NA	NA
+PJ063305	SCCHHHR 	C33H50N16O9S2	878.3388	NA	PeJP	NA	NA
+PJ063306	SSNQEEW 	C36H50N10O16	878.3406	NA	PeJP	NA	NA
+PJ063307	GGSSQEEW 	C36H50N10O16	878.3407	NA	PeJP	NA	NA
+PJ063308	SSTMMHW 	C37H54N10O11S2	878.3415	NA	PeJP	NA	NA
+PJ063309	GGGGGPPCMF 	C37H54N10O11S2	878.3416	NA	PeJP	NA	NA
+PJ063310	GNNDHHW 	C37H46N14O12	878.342	NA	PeJP	NA	NA
+PJ063311	CNFFYW 	C45H50N8O9S	878.3422	NA	PeJP	NA	NA
+PJ063312	GEEEEMR 	C33H54N10O16S	878.344	NA	PeJP	NA	NA
+PJ063313	GGGGDKEEM 	C33H54N10O16S	878.3441	NA	PeJP	NA	NA
+PJ063314	TEEEWW 	C41H50N8O14	878.3447	NA	PeJP	NA	NA
+PJ063315	SDKMMMH 	C34H58N10O11S3	878.3449	NA	PeJP	NA	NA
+PJ063316	PCDDHHR 	C34H50N14O12S	878.3454	NA	PeJP	NA	NA
+PJ063317	ACNMFFF 	C42H54N8O9S2	878.3455	NA	PeJP	NA	NA
+PJ063318	PEMMWW 	C42H54N8O9S2	878.3456	NA	PeJP	NA	NA
+PJ063319	SSTQMYY 	C38H54N8O14S	878.348	NA	PeJP	NA	NA
+PJ063320	GVEEEMW 	C38H54N8O14S	878.3481	NA	PeJP	NA	NA
+PJ063321	CNNNQMR 	C31H54N14O12S2	878.3487	NA	PeJP	NA	NA
+PJ063322	GGGGCNQMR 	C31H54N14O12S2	878.3488	NA	PeJP	NA	NA
+PJ063323	SPPMMMW 	C39H58N8O9S3	878.3489	NA	PeJP	NA	NA
+PJ063324	CNDRWW 	C39H50N12O10S	878.3494	NA	PeJP	NA	NA
+PJ063325	SSPTTEEE 	C34H54N8O19	878.3505	NA	PeJP	NA	NA
+PJ063326	SKEEEEE 	C34H54N8O19	878.3506	NA	PeJP	NA	NA
+PJ063327	PDKEEMM 	C35H58N8O14S2	878.3514	NA	PeJP	NA	NA
+PJ063328	SSNDDRW 	C35H50N12O15	878.3519	NA	PeJP	NA	NA
+PJ063329	AAPPMMMM 	C36H62N8O9S4	878.3523	NA	PeJP	NA	NA
+PJ063330	SPCCQRW 	C36H54N12O10S2	878.3528	NA	PeJP	NA	NA
+PJ063331	GNMWWW 	C44H50N10O8S	878.3534	NA	PeJP	NA	NA
+PJ063332	SNNEEMR 	C32H54N12O15S	878.3553	NA	PeJP	NA	NA
+PJ063333	GSSQEWW 	C40H50N10O13	878.3559	NA	PeJP	NA	NA
+PJ063334	SSMMMHR 	C33H58N12O10S3	878.3561	NA	PeJP	NA	NA
+PJ063335	GGGAPCMMR 	C33H58N12O10S3	878.3562	NA	PeJP	NA	NA
+PJ063336	GPCCKWW 	C41H54N10O8S2	878.3568	NA	PeJP	NA	NA
+PJ063337	EEEMRW 	C37H54N10O13S	878.3593	NA	PeJP	NA	NA
+PJ063338	PDEFWW 	C45H50N8O11	878.3599	NA	PeJP	NA	NA
+PJ063339	CCNNNRR 	C30H54N16O11S2	878.36	NA	PeJP	NA	NA
+PJ063340	GNMHHHF 	C38H50N14O9S	878.3606	NA	PeJP	NA	NA
+PJ063341	STEEEER 	C33H54N10O18	878.3618	NA	PeJP	NA	NA
+PJ063342	SPEEMMR 	C34H58N10O13S2	878.3627	NA	PeJP	NA	NA
+PJ063343	GDEEHHR 	C34H50N14O14	878.3631	NA	PeJP	NA	NA
+PJ063344	GGGGGATEHH 	C34H50N14O14	878.3632	NA	PeJP	NA	NA
+PJ063345	VEEMWW 	C42H54N8O11S	878.3633	NA	PeJP	NA	NA
+PJ063346	AKMMMMH 	C35H62N10O8S4	878.3635	NA	PeJP	NA	NA
+PJ063347	SCKMHHH 	C35H54N14O9S2	878.364	NA	PeJP	NA	NA
+PJ063348	SSLEEEW 	C38H54N8O16	878.3658	NA	PeJP	NA	NA
+PJ063349	SCNDERR 	C31H54N14O14S	878.3665	NA	PeJP	NA	NA
+MJ096760	Blepharocalyxin A 	C54H54O11	878.366612	NA	MeJP	NA	NA
+MJ096761	Blepharocalyxin E 	C54H54O11	878.366612	NA	MeJP	NA	NA
+PJ063350	SPVEMMW 	C39H58N8O11S2	878.3667	NA	PeJP	NA	NA
+PJ063351	GNNNQFW 	C39H50N12O12	878.3671	NA	PeJP	NA	NA
+PJ063352	GGGNNQFW 	C39H50N12O12	878.3672	NA	PeJP	NA	NA
+PJ063353	PCCNMRR 	C32H58N14O9S3	878.3674	NA	PeJP	NA	NA
+PJ063354	CMHFRW 	C40H54N12O7S2	878.368	NA	PeJP	NA	NA
+PJ063355	VDKEEEM 	C35H58N8O16S	878.3692	NA	PeJP	NA	NA
+PJ063356	LEEYYY 	C43H54N6O14	878.3698	NA	PeJP	NA	NA
+PJ063357	PLQEMMM 	C36H62N8O11S3	878.37	NA	PeJP	NA	NA
+PJ063358	GAPLEMMM 	C36H62N8O11S3	878.3701	NA	PeJP	NA	NA
+PJ063359	GSNEMRW 	C36H54N12O12S	878.3705	NA	PeJP	NA	NA
+PJ063360	SSQWWW 	C44H50N10O10	878.3712	NA	PeJP	NA	NA
+PJ063361	GSSSQEER 	C32H54N12O17	878.373	NA	PeJP	NA	NA
+PJ063362	GQQEMMR 	C33H58N12O12S2	878.3739	NA	PeJP	NA	NA
+PJ063363	SNNDHHR 	C33H50N16O13	878.3744	NA	PeJP	NA	NA
+PJ063364	NDKMWW 	C41H54N10O10S	878.3745	NA	PeJP	NA	NA
+PJ063365	GGDKMWW 	C41H54N10O10S	878.3746	NA	PeJP	NA	NA
+PJ063366	SSNKEEW 	C37H54N10O15	878.377	NA	PeJP	NA	NA
+PJ063367	GGSSKEEW 	C37H54N10O15	878.3771	NA	PeJP	NA	NA
+PJ063368	GVQQMMW 	C38H58N10O10S2	878.3779	NA	PeJP	NA	NA
+PJ063369	DEHHRW 	C38H50N14O11	878.3784	NA	PeJP	NA	NA
+PJ063370	PPMYWW 	C46H54N8O8S	878.3786	NA	PeJP	NA	NA
+PJ063371	SVEEEMR 	C34H58N10O15S	878.3804	NA	PeJP	NA	NA
+8232	Antioxidative peptide	IAAEVYEHTEGSTTSY	878.381	MH2+	Inhouse_peptide	NA	peptide
+PJ063372	GPVEEYW 	C42H54N8O13	878.3811	NA	PeJP	NA	NA
+PJ063373	PVDMMMR 	C35H62N10O10S3	878.3813	NA	PeJP	NA	NA
+PJ063374	AQQQMHH 	C35H54N14O11S	878.3817	NA	PeJP	NA	NA
+PJ063375	GSCDRRW 	C35H54N14O11S	878.3818	NA	PeJP	NA	NA
+PJ063376	APPMMFW 	C43H58N8O8S2	878.3819	NA	PeJP	NA	NA
+PJ063377	VDHHWW 	C43H50N12O9	878.3824	NA	PeJP	NA	NA
+PJ063378	SSSSNNQR 	C31H54N14O16	878.3842	NA	PeJP	NA	NA
+PJ063379	GSSSDDRR 	C31H54N14O16	878.3843	NA	PeJP	NA	NA
+PJ063380	ATLEEMW 	C39H58N8O13S	878.3844	NA	PeJP	NA	NA
+PJ063381	GGPLEEMF 	C39H58N8O13S	878.3845	NA	PeJP	NA	NA
+PJ063382	GNDMMRR 	C32H58N14O11S2	878.3851	NA	PeJP	NA	NA
+PJ063383	GGGGGGCKMR 	C32H58N14O11S2	878.3852	NA	PeJP	NA	NA
+PJ063384	APLMMMW 	C40H62N8O8S3	878.3853	NA	PeJP	NA	NA
+PJ063385	SNMRWW 	C40H54N12O9S	878.3858	NA	PeJP	NA	NA
+PJ063386	GHFFWW 	C48H50N10O7	878.3864	NA	PeJP	NA	NA
+PJ063387	GTTTLEEE 	C35H58N8O18	878.3869	NA	PeJP	NA	NA
+PJ063388	VLQEEMM 	C36H62N8O13S2	878.3878	NA	PeJP	NA	NA
+PJ063389	SSSQERW 	C36H54N12O14	878.3883	NA	PeJP	NA	NA
+PJ063390	QQMMRW 	C37H58N12O9S2	878.3891	NA	PeJP	NA	NA
+PJ063391	GAQMMRW 	C37H58N12O9S2	878.3892	NA	PeJP	NA	NA
+PJ063392	SPQHHHH 	C37H50N16O10	878.3896	NA	PeJP	NA	NA
+PJ063393	ACKWWW 	C45H54N10O7S	878.3898	NA	PeJP	NA	NA
+PJ063394	STQQEMR 	C33H58N12O14S	878.3916	NA	PeJP	NA	NA
+PJ063395	SNDKEMR 	C33H58N12O14S	878.3917	NA	PeJP	NA	NA
+PJ063396	GSSKEWW 	C41H54N10O12	878.3923	NA	PeJP	NA	NA
+PJ063397	PCNKMMR 	C34H62N12O9S3	878.3925	NA	PeJP	NA	NA
+PJ063398	GNQMHHR 	C34H54N16O10S	878.393	NA	PeJP	NA	NA
+PJ063399	KMMHFW 	C42H58N10O7S2	878.3932	NA	PeJP	NA	NA
+MJ096762	3,14,15-Trihydroxypregn-5-en-20-one, 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H62O18	878.393615	NA	MeJP	NA	NA
+PJ063400	GTQKEMW 	C38H58N10O12S	878.3957	NA	PeJP	NA	NA
+PJ063401	PVEYWW 	C46H54N8O10	878.3963	NA	PeJP	NA	NA
+PJ063402	GCCERRR 	C31H58N16O10S2	878.3964	NA	PeJP	NA	NA
+PJ063403	ACKHHHF 	C39H54N14O8S	878.397	NA	PeJP	NA	NA
+PJ063404	GSSDKKEE 	C34H58N10O17	878.3982	NA	PeJP	NA	NA
+PJ063405	ALEEMMR 	C35H62N10O12S2	878.399	NA	PeJP	NA	NA
+PJ063406	VVDEMMR 	C35H62N10O12S2	878.3991	NA	PeJP	NA	NA
+PJ063407	GNNQQRY 	C35H54N14O13	878.3995	NA	PeJP	NA	NA
+PJ063408	GGGGGGGGGPLH 	C35H54N14O13	878.3996	NA	PeJP	NA	NA
+PJ063409	SPPVMYW 	C43H58N8O10S	878.3997	NA	PeJP	NA	NA
+PJ063410	CQMRRW 	C36H58N14O8S2	878.4004	NA	PeJP	NA	NA
+PJ063411	TTTLEEW 	C39H58N8O15	878.4022	NA	PeJP	NA	NA
+PJ063412	SSNEMRR 	C32H58N14O13S	878.4029	NA	PeJP	NA	NA
+PJ063413	GLLEMMW 	C40H62N8O10S2	878.4031	NA	PeJP	NA	NA
+PJ063414	GSSTRWW 	C40H54N12O11	878.4035	NA	PeJP	NA	NA
+PJ063415	GGGAEFRW 	C40H54N12O11	878.4036	NA	PeJP	NA	NA
+PJ063416	GCNHHRR 	C33H54N18O9S	878.4042	NA	PeJP	NA	NA
+PJ063417	TLKEEEM 	C36H62N8O15S	878.4056	NA	PeJP	NA	NA
+PJ063418	PLKEMMM 	C37H66N8O10S3	878.4064	NA	PeJP	NA	NA
+PJ063419	GSDKMRW 	C37H58N12O11S	878.4069	NA	PeJP	NA	NA
+PJ063420	SSKWWW 	C45H54N10O9	878.4076	NA	PeJP	NA	NA
+PJ063421	GSSSKEER 	C33H58N12O16	878.4094	NA	PeJP	NA	NA
+PJ063422	GQKEMMR 	C34H62N12O11S2	878.4103	NA	PeJP	NA	NA
+PJ063423	SSQQHHR 	C34H54N16O12	878.4107	NA	PeJP	NA	NA
+PJ063424	GGSTQHHR 	C34H54N16O12	878.4108	NA	PeJP	NA	NA
+PJ063425	TQKMWW 	C42H58N10O9S	878.4109	NA	PeJP	NA	NA
+PJ063426	PPFFWW 	C50H54N8O7	878.4116	NA	PeJP	NA	NA
+PJ063427	SSDKKEW 	C38H58N10O14	878.4134	NA	PeJP	NA	NA
+PJ063428	GGGGGGLLEY 	C38H58N10O14	878.4135	NA	PeJP	NA	NA
+PJ063429	SSCDRRR 	C31H58N16O12S	878.4141	NA	PeJP	NA	NA
+PJ063430	GVQKMMW 	C39H62N10O9S2	878.4143	NA	PeJP	NA	NA
+PJ063431	GSQKHHW 	C39H54N14O10	878.4148	NA	PeJP	NA	NA
+PJ063432	PLMFWW 	C47H58N8O7S	878.415	NA	PeJP	NA	NA
+PJ063433	TTLEEMR 	C35H62N10O14S	878.4168	NA	PeJP	NA	NA
+PJ063434	DKKYYY 	C43H58N8O12	878.4174	NA	PeJP	NA	NA
+PJ063435	APTLEYW 	C43H58N8O12	878.4175	NA	PeJP	NA	NA
+PJ063436	PTLMMMR 	C36H66N10O9S3	878.4177	NA	PeJP	NA	NA
+PJ063437	GSSMRRW 	C36H58N14O10S	878.4181	NA	PeJP	NA	NA
+PJ063438	GGAPCRRY 	C36H58N14O10S	878.4182	NA	PeJP	NA	NA
+PJ063439	LLMMWW 	C44H62N8O7S2	878.4183	NA	PeJP	NA	NA
+PJ063440	GQFRWW 	C44H54N12O8	878.4188	NA	PeJP	NA	NA
+PJ063441	GSSSTERR 	C32H58N14O15	878.4206	NA	PeJP	NA	NA
+PJ063442	GGGGSSSSKR 	C32H58N14O15	878.4207	NA	PeJP	NA	NA
+PJ063443	STLLEMW 	C40H62N8O12S	878.4208	NA	PeJP	NA	NA
+PJ063444	GTQMMRR 	C33H62N14O10S2	878.4215	NA	PeJP	NA	NA
+PJ063445	TCKRWW 	C41H58N12O8S	878.4222	NA	PeJP	NA	NA
+PJ063446	SSTTLLEE 	C36H62N8O17	878.4233	NA	PeJP	NA	NA
+PJ063447	VLKEEMM 	C37H66N8O12S2	878.4242	NA	PeJP	NA	NA
+PJ063448	SSSKERW 	C37H58N12O13	878.4247	NA	PeJP	NA	NA
+PJ063449	QKMMRW 	C38H62N12O8S2	878.4255	NA	PeJP	NA	NA
+PJ063450	SPKHHHH 	C38H54N16O9	878.426	NA	PeJP	NA	NA
+PJ063451	STQKEMR 	C34H62N12O13S	878.428	NA	PeJP	NA	NA
+PJ063452	GGGGGSTKKM 	C34H62N12O13S	878.4281	NA	PeJP	NA	NA
+PJ063453	GTTTKWW 	C42H58N10O11	878.4287	NA	PeJP	NA	NA
+PJ063454	PPCNHRR 	C35H58N16O9S	878.4294	NA	PeJP	NA	NA
+MJ096763	Bryostatin 19 	C45H66O17	878.43	NA	MeJP	NA	NA
+PJ063455	PHHFRW 	C43H54N14O7	878.43	NA	PeJP	NA	NA
+MJ096764	Mycalolide E 	C46H62N4O13	878.431338	NA	MeJP	NA	NA
+PJ063456	SSLQKMW 	C39H62N10O11S	878.432	NA	PeJP	NA	NA
+PJ063457	GTKKEMW 	C39H62N10O11S	878.4321	NA	PeJP	NA	NA
+PJ063458	VLEFWW 	C47H58N8O9	878.4327	NA	PeJP	NA	NA
+PJ063459	GTCMRRR 	C32H62N16O9S2	878.4328	NA	PeJP	NA	NA
+MJ096765	Hoffmanniolide 	C42H70O17S	878.433371	NA	MeJP	NA	NA
+PJ063460	LMHHRW 	C40H58N14O7S	878.4334	NA	PeJP	NA	NA
+PJ063461	ATTTTQKE 	C35H62N10O16	878.4345	NA	PeJP	NA	NA
+PJ063462	GSTTKKEE 	C35H62N10O16	878.4346	NA	PeJP	NA	NA
+PJ063463	SLLEMMR 	C36H66N10O11S2	878.4354	NA	PeJP	NA	NA
+PJ063464	SSSTRRW 	C36H58N14O12	878.4359	NA	PeJP	NA	NA
+PJ063465	GPLLMYW 	C44H62N8O9S	878.4361	NA	PeJP	NA	NA
+PJ063466	CKMRRW 	C37H62N14O7S2	878.4368	NA	PeJP	NA	NA
+PJ063467	GVHHHHR 	C37H54N18O8	878.4373	NA	PeJP	NA	NA
+PJ063468	PTLKEEY 	C40H62N8O14	878.4386	NA	PeJP	NA	NA
+PJ063469	SSDKMRR 	C33H62N14O12S	878.4393	NA	PeJP	NA	NA
+PJ063470	SVLLMMW 	C41H66N8O9S2	878.4394	NA	PeJP	NA	NA
+PJ063471	TCLLLMW 	C41H66N8O9S2	878.4395	NA	PeJP	NA	NA
+PJ063472	VQQRYW 	C41H58N12O10	878.4399	NA	PeJP	NA	NA
+PJ063473	SSSLLLEM 	C37H66N8O14S	878.4419	NA	PeJP	NA	NA
+PJ063474	ATTTLLEM 	C37H66N8O14S	878.442	NA	PeJP	NA	NA
+MJ096766	Hydrogenobyrinate a,c diamide 	C45H62N6O12	878.442571	NA	MeJP	NA	NA
+MetaCyc04228	hydrogenobyrinate a,c-diamide [hydrogenobyrinic acid a,c-diamide;]	C45H62N6O12	878.442571	NA	metacyc	NA	NA
+C06503	Hydrogenobyrinate a,c diamide	C45H62N6O12	878.4426	NA	KEGG	NA	NA
+PJ063475	LLLQMMM 	C38H70N8O9S3	878.4428	NA	PeJP	NA	NA
+PJ063476	GTTKMRW 	C38H62N12O10S	878.4433	NA	PeJP	NA	NA
+PJ063477	VNKFWW 	C46H58N10O8	878.4439	NA	PeJP	NA	NA
+PJ063478	GGVKFWW 	C46H58N10O8	878.444	NA	PeJP	NA	NA
+MJ096767	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dibenzoyl, 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-oleandropyranoside] 	C49H66O14	878.445256	NA	MeJP	NA	NA
+PJ063479	GSTTTKER 	C34H62N12O15	878.4458	NA	PeJP	NA	NA
+PJ063480	GKKEMMR 	C35H66N12O10S2	878.4467	NA	PeJP	NA	NA
+PJ063481	NDRRRY 	C35H58N16O11	878.4471	NA	PeJP	NA	NA
+PJ063482	GGAPEHRR 	C35H58N16O11	878.4472	NA	PeJP	NA	NA
+PJ063483	TKKMWW 	C43H62N10O8S	878.4473	NA	PeJP	NA	NA
+PJ063484	HHHHRR 	C36H54N20O7	878.4485	NA	PeJP	NA	NA
+PJ063485	STTKKEW 	C39H62N10O13	878.4498	NA	PeJP	NA	NA
+PJ063486	SSSMRRR 	C32H62N16O11S	878.4505	NA	PeJP	NA	NA
+PJ063487	GVKKMMW 	C40H66N10O8S2	878.4507	NA	PeJP	NA	NA
+PJ063488	AQRRYW 	C40H58N14O9	878.4512	NA	PeJP	NA	NA
+PJ063489	SKKKEEM 	C36H66N10O13S	878.4532	NA	PeJP	NA	NA
+PJ063490	GVLLEYW 	C44H62N8O11	878.4538	NA	PeJP	NA	NA
+MJ096768	Viridogrisein 	C44H62N8O11	878.453804	NA	MeJP	NA	NA
+PJ063491	GGPLLEFF 	C44H62N8O11	878.4539	NA	PeJP	NA	NA
+PJ063492	VVLMMMR 	C37H70N10O8S3	878.4541	NA	PeJP	NA	NA
+PJ063493	GPCKRRY 	C37H62N14O9S	878.4545	NA	PeJP	NA	NA
+PJ063494	GKFRWW 	C45H58N12O7	878.4552	NA	PeJP	NA	NA
+PJ063495	SSSSSLRR 	C33H62N14O14	878.457	NA	PeJP	NA	NA
+PJ063496	PVLKEMY 	C41H66N8O11S	878.4572	NA	PeJP	NA	NA
+PJ063497	GTKMMRR 	C34H66N14O9S2	878.4579	NA	PeJP	NA	NA
+PJ063498	TTTTTLLE 	C37H66N8O16	878.4597	NA	PeJP	NA	NA
+PJ063499	GTTLLLMM 	C38H70N8O11S2	878.4606	NA	PeJP	NA	NA
+PJ063500	STTTKRW 	C38H62N12O12	878.461	NA	PeJP	NA	NA
+PJ063501	GVQKERY 	C38H62N12O12	878.4611	NA	PeJP	NA	NA
+PJ063502	KKMMRW 	C39H66N12O7S2	878.4619	NA	PeJP	NA	NA
+PJ063503	PQHRRW 	C39H58N16O8	878.4624	NA	PeJP	NA	NA
+PJ063504	STKKEMR 	C35H66N12O12S	878.4644	NA	PeJP	NA	NA
+PJ063505	LLERYW 	C43H62N10O10	878.4651	NA	PeJP	NA	NA
+PJ063506	NMFRRR 	C36H62N16O8S	878.4658	NA	PeJP	NA	NA
+MJ096769	Bryostatin 4; Deoxy(?) 	C46H70O16	878.466386	NA	MeJP	NA	NA
+PJ063507	SSLKKMW 	C40H66N10O10S	878.4684	NA	PeJP	NA	NA
+PJ063508	GGPVKKMY 	C40H66N10O10S	878.4685	NA	PeJP	NA	NA
+PJ063509	VLLYWW 	C48H62N8O8	878.4691	NA	PeJP	NA	NA
+PJ063510	SSSTLKKE 	C36H66N10O15	878.4709	NA	PeJP	NA	NA
+PJ063511	VDKKKMM 	C37H70N10O10S2	878.4718	NA	PeJP	NA	NA
+PJ063512	QKERRY 	C37H62N14O11	878.4723	NA	PeJP	NA	NA
+PJ063513	GLLLMFW 	C45H66N8O8S	878.4725	NA	PeJP	NA	NA
+PJ063514	VVLKEEY 	C41H66N8O13	878.475	NA	PeJP	NA	NA
+PJ063515	STTKMRR 	C34H66N14O11S	878.4756	NA	PeJP	NA	NA
+PJ063516	PLLKMMF 	C42H70N8O8S2	878.4758	NA	PeJP	NA	NA
+PJ063517	VQKRYW 	C42H62N12O9	878.4763	NA	PeJP	NA	NA
+PJ063518	STTTLLLM 	C38H70N8O13S	878.4783	NA	PeJP	NA	NA
+PJ063519	LLLKMMM 	C39H74N8O8S3	878.4792	NA	PeJP	NA	NA
+PJ063520	GPKKMRY 	C39H66N12O9S	878.4797	NA	PeJP	NA	NA
+PJ063521	SSSTTLKR 	C35H66N12O14	878.4822	NA	PeJP	NA	NA
+PJ063522	SVKKMMR 	C36H70N12O9S2	878.483	NA	PeJP	NA	NA
+PJ063523	TCLKKMR 	C36H70N12O9S2	878.4831	NA	PeJP	NA	NA
+PJ063524	TQRRRY 	C36H62N16O10	878.4835	NA	PeJP	NA	NA
+PJ063525	SVLLERY 	C40H66N10O12	878.4862	NA	PeJP	NA	NA
+PJ063526	AKRRYW 	C41H62N14O8	878.4875	NA	PeJP	NA	NA
+MJ096770	Antibiotic YL 02107Q-A; 11-O-Deacyl 	C43H74O18	878.487515	NA	MeJP	NA	NA
+PJ063527	APPPRRW 	C41H62N14O8	878.4876	NA	PeJP	NA	NA
+PJ063528	GTTTLKKM 	C37H70N10O12S	878.4896	NA	PeJP	NA	NA
+PJ063529	ATLLLYW 	C45H66N8O10	878.4902	NA	PeJP	NA	NA
+PJ063530	AAKMFRR 	C38H66N14O8S	878.4909	NA	PeJP	NA	NA
+PJ063531	VLLLQMY 	C42H70N8O10S	878.4936	NA	PeJP	NA	NA
+PJ063532	GPTHRRR 	C35H62N18O9	878.4948	NA	PeJP	NA	NA
+PJ063533	GVKKERY 	C39H66N12O11	878.4974	NA	PeJP	NA	NA
+PJ063534	GGGAAKKKY 	C39H66N12O11	878.4975	NA	PeJP	NA	NA
+PJ063535	PKHRRW 	C40H62N16O7	878.4988	NA	PeJP	NA	NA
+PJ063536	GSTCKKKK 	C36H70N12O11S	878.5008	NA	PeJP	NA	NA
+PJ063537	AALKKYW 	C44H66N10O9	878.5015	NA	PeJP	NA	NA
+MJ096771	12-Oleanene-3,16,22,28-tetrol, 22-Tigloyl, 3-O-?-D-glucuronopyranoside, 28-O-?-L-rhamnopyranoside 	C47H74O15	878.502771	NA	MeJP	NA	NA
+MJ096772	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4,6-Di-O-acetyl-?-D-glucopyranoside), 3-O-(4-O-acetyl-?-D-xylopyranoside) 	C47H74O15	878.502771	NA	MeJP	NA	NA
+MJ096773	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(6-O-Acetyl-?-D-glucopyranoside), 3-O-(3,4-di-O-acetyl-?-D-xylopyranoside) 	C47H74O15	878.502771	NA	MeJP	NA	NA
+PJ063538	ALLLMRY 	C41H70N10O9S	878.5048	NA	PeJP	NA	NA
+PJ063539	STTTTLKK 	C37H70N10O14	878.5073	NA	PeJP	NA	NA
+PJ063540	TLKKKMM 	C38H74N10O9S2	878.5082	NA	PeJP	NA	NA
+PJ063541	KKERRY 	C38H66N14O10	878.5087	NA	PeJP	NA	NA
+PJ063542	TLLLKEY 	C42H70N8O12	878.5113	NA	PeJP	NA	NA
+MJ096774	Onomycin I 	C43H76NO17	878.511325	NA	MeJP	NA	NA
+PJ063543	GSTLLLLY 	C42H70N8O12	878.5114	NA	PeJP	NA	NA
+PJ063544	VKKRYW 	C43H66N12O8	878.5127	NA	PeJP	NA	NA
+MJ096775	Dolastatin 16 	C47H70N6O10	878.515342	NA	MeJP	NA	NA
+PJ063545	GLKKMFR 	C40H70N12O8S	878.5161	NA	PeJP	NA	NA
+PJ063546	SSSSKKKK 	C36H70N12O13	878.5186	NA	PeJP	NA	NA
+PJ063547	TKRRRY 	C37H66N16O9	878.5199	NA	PeJP	NA	NA
+PJ063548	TTLLLRY 	C41H70N10O11	878.5226	NA	PeJP	NA	NA
+PJ063549	PVLLKFY 	C46H70N8O9	878.5266	NA	PeJP	NA	NA
+PJ063550	VLLLKMY 	C43H74N8O9S	878.53	NA	PeJP	NA	NA
+PJ063551	AALHRRR 	C36H66N18O8	878.5312	NA	PeJP	NA	NA
+PJ063552	ATLKKRY 	C40H70N12O10	878.5338	NA	PeJP	NA	NA
+PJ063553	ALLLFFR 	C45H70N10O8	878.5378	NA	PeJP	NA	NA
+PJ063554	VVLLLHW 	C45H70N10O8	878.5379	NA	PeJP	NA	NA
+PJ063555	VVKKKMF 	C42H74N10O8S	878.5412	NA	PeJP	NA	NA
+PJ063556	VHRRRR 	C35H66N20O7	878.5424	NA	PeJP	NA	NA
+PJ063557	PPLLQRR 	C39H70N14O9	878.5451	NA	PeJP	NA	NA
+PJ063558	PPVVLLLE 	C43H74N8O11	878.5478	NA	PeJP	NA	NA
+PJ063559	PPVVRRR 	C38H70N16O8	878.5563	NA	PeJP	NA	NA
+PJ063560	SLLKKKY 	C42H74N10O10	878.559	NA	PeJP	NA	NA
+PJ063561	VLLLKFF 	C47H74N8O8	878.563	NA	PeJP	NA	NA
+PJ063562	GKKKKKY 	C41H74N12O9	878.5702	NA	PeJP	NA	NA
+PJ063563	VVLKKHR 	C40H74N14O8	878.5814	NA	PeJP	NA	NA
+PJ063564	PPLLKRR 	C40H74N14O8	878.5815	NA	PeJP	NA	NA
+PJ063565	PPTLLLLL 	C44H78N8O10	878.5841	NA	PeJP	NA	NA
+PJ063566	APPLLLKK 	C43H78N10O9	878.5954	NA	PeJP	NA	NA
+PJ063567	LLLKKKH 	C42H78N12O8	878.6066	NA	PeJP	NA	NA
+PJ063568	PVVLLLLL 	C45H82N8O9	878.6205	NA	PeJP	NA	NA
+MJ096776	Huratoxin; 20-Eicosanoyl 	C54H86O9	878.627184	NA	MeJP	NA	NA
+HMDB05391	TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB05441	TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB05474	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB10418	TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB10453	TG(18:1(9Z)/16:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB10481	TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB10482	TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB10501	TG(18:3(9Z,12Z,15Z)/18:0/18:3(9Z,12Z,15Z))[iso3]	C57H98O6	878.736328	NA	HMDB2010	NA	NA
+HMDB05391	TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H98O6	878.73633	http://www.hmdb.ca/metabolites/HMDB05391	HMDB	NA	NA
+HMDB05441	TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H98O6	878.73633	http://www.hmdb.ca/metabolites/HMDB05441	HMDB	NA	NA
+HMDB05474	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C57H98O6	878.73633	http://www.hmdb.ca/metabolites/HMDB05474	HMDB	NA	NA
+HMDB05391	TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H98O6	878.73633	HMDB05391	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05441	TG(16:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H98O6	878.73633	HMDB05441	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05474	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C57H98O6	878.73633	HMDB05474	PFEM_hmdb_metabocards_official	NA	NA
+MJ096777	Glycerol tri-9,12-octadecadienoate 	C57H98O6	878.73634	NA	MeJP	NA	NA
+HMDB01290	Glutaconyl-CoA	C26H40N7O19P3S	879.131226	NA	HMDB2010	NA	NA
+HMDB03377	Itaconyl-CoA	C26H40N7O19P3S	879.131226	NA	HMDB2010	NA	NA
+HMDB01290	Glutaconyl-CoA	C26H40N7O19P3S	879.13123	http://www.hmdb.ca/metabolites/HMDB01290	HMDB	NA	NA
+HMDB03377	Itaconyl-CoA	C26H40N7O19P3S	879.13123	http://www.hmdb.ca/metabolites/HMDB03377	HMDB	NA	NA
+HMDB01290	Glutaconyl-CoA	C26H40N7O19P3S	879.13123	HMDB01290	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03377	Itaconyl-CoA	C26H40N7O19P3S	879.13123	HMDB03377	PFEM_hmdb_metabocards_official	NA	NA
+MJ096778	Glutaconyl-1-CoA 	C26H40N7O19P3S	879.131252	NA	MeJP	NA	NA
+MJ096779	Itaconyl-CoA 	C26H40N7O19P3S	879.131252	NA	MeJP	NA	NA
+MetaCyc04229	glutaconyl-CoA [glutaconyl-coenzyme A;pent-2-enoyl-CoA;glutaconyl-1-CoA;4-carboxybut-2-enoyl-CoA;]	C26H40N7O19P3S1	879.131252	05/06/6712	metacyc	NA	NA
+MetaCyc04230	itaconyl-CoA []	C26H40N7O19P3S1	879.131252	NA	metacyc	NA	NA
+C00531	Itaconyl-CoA	C26H40N7O19P3S	879.1313	NA	KEGG	NA	NA
+C02411	Glutaconyl-1-CoA	C26H40N7O19P3S	879.1313	NA	KEGG	NA	NA
+C02412	Glycyl-tRNA(Gly)	C12H20NO11PR2	879.1313	NA	KEGG	NA	NA
+C06028	Mesaconyl-CoA	C26H40N7O19P3S	879.1313	NA	KEGG	NA	NA
+PJ063569	CCCCCCNE 	C27H45N9O12S6	879.1512	NA	PeJP	NA	NA
+PJ063570	GCCCCCCW 	C31H45N9O9S6	879.1665	NA	PeJP	NA	NA
+C05269	3-Oxohexanoyl-CoA	C27H44N7O18P3S	879.1676	NA	KEGG	NA	NA
+MetaCyc04231	6-hydroxy-3-hexenoyl-CoA []	C27H44N7O18P3S1	879.167638	NA	metacyc	NA	NA
+MetaCyc04232	ketohexanoyl-CoA [3-Oxohexanoyl-CoA;K-hexanoyl-CoA;ketohexanoyl-coenzyme-A;]	C27H44N7O18P3S1	879.167638	5096-70-8	metacyc	NA	NA
+HMDB03943	3-Oxohexanoyl-CoA	C27H44N7O18P3S	879.167664	NA	HMDB2010	NA	NA
+PJ063571	GSSCCCCCD 	C27H45N9O14S5	879.169	NA	PeJP	NA	NA
+C00692	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate	C28H43N5O23P2	879.1824	NA	KEGG	NA	NA
+C00693	trans-2,3-Dehydroacyl-[acyl-carrier protein]	C3H2OSR2	879.1824	NA	KEGG	NA	NA
+C00694	beta-D-Galactosyl-1,4-N-acetyl-D-glucosaminyl-R	C14H24NO11R	879.1824	NA	KEGG	NA	NA
+MetaCyc04233	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate []	C28H43N5O23P2	879.182406	NA	metacyc	NA	NA
+PJ063572	SCCCCCQM 	C28H49N9O11S6	879.1876	NA	PeJP	NA	NA
+PJ063573	SCCCCCCR 	C27H49N11O10S6	879.1989	NA	PeJP	NA	NA
+PJ063574	GCCCCNDY 	C31H45N9O13S4	879.202	NA	PeJP	NA	NA
+HMDB11660	2-Methylhexanoyl-CoA	C28H48N7O17P3S	879.204041	NA	HMDB2010	NA	NA
+PJ063575	GSSSCCCCM 	C28H49N9O13S5	879.2054	NA	PeJP	NA	NA
+PJ063576	GCCCCNMF 	C32H49N9O10S5	879.2206	NA	PeJP	NA	NA
+PJ063577	SSSSTCCCC 	C28H49N9O15S4	879.2231	NA	PeJP	NA	NA
+PJ063578	SCCCCCKM 	C29H53N9O10S6	879.224	NA	PeJP	NA	NA
+PJ063579	CCDDMMY 	C33H49N7O13S4	879.2272	NA	PeJP	NA	NA
+PJ063580	GCCCNDEH 	C30H45N11O14S3	879.231	NA	PeJP	NA	NA
+PJ063581	CCMMMMM 	C31H57N7O8S7	879.2314	NA	PeJP	NA	NA
+PJ063582	GNDDDDDD 	C30H41N9O22	879.2367	NA	PeJP	NA	NA
+PJ063583	GSCCCNMY 	C32H49N9O12S4	879.2384	NA	PeJP	NA	NA
+PJ063584	CCDDDFY 	C36H45N7O15S2	879.2415	NA	PeJP	NA	NA
+PJ063585	CCDMMMF 	C34H53N7O10S5	879.2458	NA	PeJP	NA	NA
+PJ063586	CCCNDHW 	C34H45N11O11S3	879.2463	NA	PeJP	NA	NA
+PJ063587	SSCCNDDH 	C30H45N11O16S2	879.2488	NA	PeJP	NA	NA
+PJ063588	SPCCCCQH 	C31H49N11O11S4	879.2496	NA	PeJP	NA	NA
+PJ063589	SPCNDDDD 	C31H45N9O19S	879.2553	NA	PeJP	NA	NA
+PJ063590	SSSCCCQY 	C32H49N9O14S3	879.2561	NA	PeJP	NA	NA
+PJ063591	CDDEMMH 	C32H49N9O14S3	879.2562	NA	PeJP	NA	NA
+PJ063592	ACCCCCKF 	C33H53N9O9S5	879.257	NA	PeJP	NA	NA
+PJ063593	SCDDDYY 	C36H45N7O17S	879.2593	NA	PeJP	NA	NA
+PJ063594	PCCCEYY 	C37H49N7O12S3	879.2602	NA	PeJP	NA	NA
+PJ063595	DDDEEEE 	C32H45N7O22	879.2618	NA	PeJP	NA	NA
+PJ063596	SCDMMMY 	C34H53N7O12S4	879.2635	NA	PeJP	NA	NA
+PJ063597	CCCMHHF 	C35H49N11O8S4	879.2649	NA	PeJP	NA	NA
+PJ063598	GCNNNDDE 	C30H45N11O18S	879.2665	NA	PeJP	NA	NA
+PJ063599	GSCCNEMH 	C31H49N11O13S3	879.2674	NA	PeJP	NA	NA
+PJ063600	CDDDEHF 	C35H45N9O16S	879.2705	NA	PeJP	NA	NA
+PJ063601	GPPCCCDW 	C36H49N9O11S3	879.2714	NA	PeJP	NA	NA
+PJ063602	GSNDDDEE 	C31H45N9O21	879.273	NA	PeJP	NA	NA
+PJ063603	GGGSDDDEE 	C31H45N9O21	879.2731	NA	PeJP	NA	NA
+PJ063604	GSSSSSCCY 	C32H49N9O16S2	879.2739	NA	PeJP	NA	NA
+PJ063605	GTCCCCKY 	C33H53N9O11S4	879.2748	NA	PeJP	NA	NA
+PJ063606	CCDEHHH 	C33H45N13O12S2	879.2753	NA	PeJP	NA	NA
+PJ063607	GCDEMYY 	C37H49N7O14S2	879.2779	NA	PeJP	NA	NA
+PJ063608	GSCCCDHR 	C30H49N13O12S3	879.2786	NA	PeJP	NA	NA
+PJ063609	CNNNDDW 	C34H45N11O15S	879.2818	NA	PeJP	NA	NA
+PJ063610	ACMMMMY 	C35H57N7O9S5	879.2822	NA	PeJP	NA	NA
+PJ063611	SCCNMHW 	C35H49N11O10S3	879.2826	NA	PeJP	NA	NA
+PJ063612	GGGPCCCHF 	C35H49N11O10S3	879.2827	NA	PeJP	NA	NA
+PJ063613	SSNNNDDD 	C30H45N11O20	879.2843	NA	PeJP	NA	NA
+PJ063614	SSSCNDMH 	C31H49N11O15S2	879.2851	NA	PeJP	NA	NA
+PJ063615	GPCCDDDR 	C31H49N11O15S2	879.2852	NA	PeJP	NA	NA
+PJ063616	CNNMMMH 	C32H53N11O10S4	879.286	NA	PeJP	NA	NA
+PJ063617	SNDDDEW 	C35H45N9O18	879.2883	NA	PeJP	NA	NA
+PJ063618	SCCNQYY 	C36H49N9O13S2	879.2891	NA	PeJP	NA	NA
+PJ063619	PCNDDMW 	C36H49N9O13S2	879.2892	NA	PeJP	NA	NA
+PJ063620	NNDEEEM 	C32H49N9O18S	879.2917	NA	PeJP	NA	NA
+PJ063621	SSSCCCKY 	C33H53N9O13S3	879.2925	NA	PeJP	NA	NA
+PJ063622	CDMYYW 	C41H49N7O11S2	879.2932	NA	PeJP	NA	NA
+PJ063623	PCMMMMH 	C34H57N9O8S5	879.2934	NA	PeJP	NA	NA
+PJ063624	SSDDMYY 	C37H49N7O16S	879.2957	NA	PeJP	NA	NA
+PJ063625	GCNNNNNM 	C30H49N13O14S2	879.2964	NA	PeJP	NA	NA
+PJ063626	PTCCMYY 	C38H53N7O11S3	879.2965	NA	PeJP	NA	NA
+PJ063627	GCEMMFY 	C38H53N7O11S3	879.2966	NA	PeJP	NA	NA
+PJ063628	CCCQMHR 	C31H53N13O9S4	879.2972	NA	PeJP	NA	NA
+PJ063629	GACCCMHR 	C31H53N13O9S4	879.2973	NA	PeJP	NA	NA
+PJ063630	SEEEEEE 	C33H49N7O21	879.2982	NA	PeJP	NA	NA
+PJ063631	PDEEEMM 	C34H53N7O16S2	879.2991	NA	PeJP	NA	NA
+PJ063632	SSMMMMY 	C35H57N7O11S4	879.2999	NA	PeJP	NA	NA
+PJ063633	GSSTCCHW 	C35H49N11O12S2	879.3004	NA	PeJP	NA	NA
+PJ063634	NDDDDMR 	C31H49N11O17S	879.3029	NA	PeJP	NA	NA
+PJ063635	GSDDDWW 	C39H45N9O15	879.3036	NA	PeJP	NA	NA
+PJ063636	SPPCCCDR 	C32H53N11O12S3	879.3038	NA	PeJP	NA	NA
+PJ063637	GPCCEWW 	C40H49N9O10S2	879.3044	NA	PeJP	NA	NA
+PJ063638	GNDEEMW 	C36H49N9O15S	879.3069	NA	PeJP	NA	NA
+PJ063639	GSPPCCMW 	C37H53N9O10S3	879.3078	NA	PeJP	NA	NA
+PJ063640	CCCCHRR 	C30H53N15O8S4	879.3085	NA	PeJP	NA	NA
+PJ063641	GSSNEEEE 	C32H49N9O20	879.3094	NA	PeJP	NA	NA
+PJ063642	GSPNDEMM 	C33H53N9O15S2	879.3103	NA	PeJP	NA	NA
+PJ063643	NNDDEHH 	C33H45N13O16	879.3108	NA	PeJP	NA	NA
+PJ063644	GPCDYYY 	C41H49N7O13S	879.3109	NA	PeJP	NA	NA
+PJ063645	AEMMMMH 	C34H57N9O10S4	879.3112	NA	PeJP	NA	NA
+PJ063646	SCEMHHH 	C34H49N13O11S2	879.3116	NA	PeJP	NA	NA
+PJ063647	CMMFYW 	C42H53N7O8S3	879.3118	NA	PeJP	NA	NA
+PJ063648	PDDEEEF 	C37H49N7O18	879.3135	NA	PeJP	NA	NA
+PJ063649	GSCNNDDR 	C30H49N13O16S	879.3141	NA	PeJP	NA	NA
+PJ063650	GGGGGSCDDR 	C30H49N13O16S	879.3142	NA	PeJP	NA	NA
+PJ063651	GSEMMYY 	C38H53N7O13S2	879.3143	NA	PeJP	NA	NA
+PJ063652	GSSCCMHR 	C31H53N13O11S3	879.315	NA	PeJP	NA	NA
+PJ063653	ACMMMFF 	C39H57N7O8S4	879.3152	NA	PeJP	NA	NA
+PJ063654	ACCNHFW 	C39H49N11O9S2	879.3156	NA	PeJP	NA	NA
+PJ063655	GCCQHFW 	C39H49N11O9S2	879.3157	NA	PeJP	NA	NA
+PJ063656	VDEEEEM 	C34H53N7O18S	879.3168	NA	PeJP	NA	NA
+PJ063657	SSSSSCHW 	C35H49N11O14S	879.3181	NA	PeJP	NA	NA
+PJ063658	GCDDERW 	C35H49N11O14S	879.3182	NA	PeJP	NA	NA
+PJ063659	TCCCKHW 	C36H53N11O9S3	879.319	NA	PeJP	NA	NA
+PJ063660	PCCWWW 	C44H49N9O7S2	879.3197	NA	PeJP	NA	NA
+PJ063661	SSSSSSSDH 	C31H49N11O19	879.3206	NA	PeJP	NA	NA
+PJ063662	GSSDDDER 	C31H49N11O19	879.3207	NA	PeJP	NA	NA
+PJ063663	GSPCDDMR 	C32H53N11O14S2	879.3215	NA	PeJP	NA	NA
+PJ063664	GGGGGGGAEMM 	C32H53N11O14S2	879.3216	NA	PeJP	NA	NA
+PJ063665	NDEMWW 	C40H49N9O12S	879.3222	NA	PeJP	NA	NA
+PJ063666	APPCCCMR 	C33H57N11O9S4	879.3224	NA	PeJP	NA	NA
+PJ063667	SSNEEEW 	C36H49N9O17	879.3247	NA	PeJP	NA	NA
+PJ063668	SPNDMMW 	C37H53N9O12S2	879.3255	NA	PeJP	NA	NA
+PJ063669	GGSPDMMW 	C37H53N9O12S2	879.3256	NA	PeJP	NA	NA
+PJ063670	GNDDHHW 	C37H45N13O13	879.326	NA	PeJP	NA	NA
+PJ063671	CDFFYW 	C45H49N7O10S	879.3262	NA	PeJP	NA	NA
+PJ063672	PCCHHHF 	C38H49N13O8S2	879.3269	NA	PeJP	NA	NA
+PJ063673	SQQEEEM 	C33H53N9O17S	879.328	NA	PeJP	NA	NA
+PJ063674	GGTQEEEM 	C33H53N9O17S	879.3281	NA	PeJP	NA	NA
+PJ063675	NEEYYY 	C41H49N7O15	879.3287	NA	PeJP	NA	NA
+PJ063676	TTEMMMH 	C34H57N9O12S3	879.3289	NA	PeJP	NA	NA
+PJ063677	GSPCNEHH 	C34H49N13O13S	879.3294	NA	PeJP	NA	NA
+PJ063678	SMMYYW 	C42H53N7O10S2	879.3296	NA	PeJP	NA	NA
+PJ063679	GMMMHHH 	C35H53N13O8S3	879.3303	NA	PeJP	NA	NA
+PJ063680	GSSSSNNNN 	C30H49N13O18	879.3319	NA	PeJP	NA	NA
+PJ063681	SSTEMYY 	C38H53N7O15S	879.3321	NA	PeJP	NA	NA
+PJ063682	SSSTCCHR 	C31H53N13O13S2	879.3328	NA	PeJP	NA	NA
+PJ063683	AAMMMYY 	C39H57N7O10S3	879.3329	NA	PeJP	NA	NA
+PJ063684	CDDRWW 	C39H49N11O11S	879.3334	NA	PeJP	NA	NA
+PJ063685	CCCKMHR 	C32H57N13O8S4	879.3336	NA	PeJP	NA	NA
+PJ063686	SSDDDRW 	C35H49N11O16	879.3359	NA	PeJP	NA	NA
+PJ063687	SPCCERW 	C36H53N11O11S2	879.3368	NA	PeJP	NA	NA
+PJ063688	GDMWWW 	C44H49N9O9S	879.3374	NA	PeJP	NA	NA
+PJ063689	SNDEEMR 	C32H53N11O16S	879.3393	NA	PeJP	NA	NA
+PJ063690	GSSEEWW 	C40H49N9O14	879.3399	NA	PeJP	NA	NA
+PJ063691	PCNEMMR 	C33H57N11O11S3	879.3401	NA	PeJP	NA	NA
+PJ063692	GGPCEMMR 	C33H57N11O11S3	879.3402	NA	PeJP	NA	NA
+PJ063693	NNNNMHH 	C33H49N15O12S	879.3406	NA	PeJP	NA	NA
+PJ063694	GGGGGGGGMHH 	C33H49N15O12S	879.3407	NA	PeJP	NA	NA
+PJ063695	GPTCMWW 	C41H53N9O9S2	879.3408	NA	PeJP	NA	NA
+PJ063696	GTQEEMW 	C37H53N9O14S	879.3433	NA	PeJP	NA	NA
+PJ063697	GEYYYW 	C45H49N7O12	879.3439	NA	PeJP	NA	NA
+PJ063698	CCNNDRR 	C30H53N15O12S2	879.344	NA	PeJP	NA	NA
+PJ063699	GPQMMMW 	C38H57N9O9S3	879.3442	NA	PeJP	NA	NA
+PJ063700	SPCNHHW 	C38H49N13O10S	879.3446	NA	PeJP	NA	NA
+PJ063701	GGSPCHHW 	C38H49N13O10S	879.3447	NA	PeJP	NA	NA
+PJ063702	CMFFFW 	C46H53N7O7S2	879.3448	NA	PeJP	NA	NA
+PJ063703	GSSDKEEE 	C33H53N9O19	879.3458	NA	PeJP	NA	NA
+MJ096780	Taxol?; N-Debenzoyl, N-cinnamoyl 	C49H53NO14	879.346605	NA	MeJP	NA	NA
+PJ063704	VNQEEMM 	C34H57N9O14S2	879.3467	NA	PeJP	NA	NA
+PJ063705	NNNNNQY 	C34H49N13O15	879.3471	NA	PeJP	NA	NA
+PJ063706	GGGGGGNNQY 	C34H49N13O15	879.3472	NA	PeJP	NA	NA
+PJ063707	GSPMYYY 	C42H53N7O12S	879.3473	NA	PeJP	NA	NA
+PJ063708	SLMMMMH 	C35H61N9O9S4	879.3475	NA	PeJP	NA	NA
+PJ063709	APPCCKMM 	C35H61N9O9S4	879.3476	NA	PeJP	NA	NA
+PJ063710	GCNNMRW 	C35H53N13O10S2	879.348	NA	PeJP	NA	NA
+PJ063711	PVDEEEY 	C38H53N7O17	879.3498	NA	PeJP	NA	NA
+PJ063712	SCDDERR 	C31H53N13O15S	879.3505	NA	PeJP	NA	NA
+PJ063713	ATTMMYY 	C39H57N7O12S2	879.3507	NA	PeJP	NA	NA
+PJ063714	SSSNNWW 	C39H49N11O13	879.3512	NA	PeJP	NA	NA
+PJ063715	PCCDMRR 	C32H57N13O10S3	879.3514	NA	PeJP	NA	NA
+PJ063716	GCCKHFW 	C40H53N11O8S2	879.352	NA	PeJP	NA	NA
+PJ063717	TLEEEEM 	C35H57N7O17S	879.3532	NA	PeJP	NA	NA
+PJ063718	PLEEMMM 	C36H61N7O12S3	879.3541	NA	PeJP	NA	NA
+PJ063719	GSDEMRW 	C36H53N11O13S	879.3545	NA	PeJP	NA	NA
+PJ063720	GGGGGGTTMW 	C36H53N11O13S	879.3546	NA	PeJP	NA	NA
+PJ063721	SSEWWW 	C44H49N9O11	879.3552	NA	PeJP	NA	NA
+PJ063722	GPCMMRW 	C37H57N11O8S3	879.3554	NA	PeJP	NA	NA
+PJ063723	GSSSEEER 	C32H53N11O18	879.357	NA	PeJP	NA	NA
+PJ063724	GGGGSSSDKE 	C32H53N11O18	879.3571	NA	PeJP	NA	NA
+PJ063725	GQEEMMR 	C33H57N11O13S2	879.3579	NA	PeJP	NA	NA
+PJ063726	SNDDHHR 	C33H49N15O14	879.3584	NA	PeJP	NA	NA
+PJ063727	TQEMWW 	C41H53N9O11S	879.3586	NA	PeJP	NA	NA
+PJ063728	CCKKMMH 	C34H61N11O8S4	879.3588	NA	PeJP	NA	NA
+PJ063729	YYYWW 	C49H49N7O9	879.3592	NA	PeJP	NA	NA
+PJ063730	PCCQHHR 	C34H53N15O9S2	879.3593	NA	PeJP	NA	NA
+PJ063731	STTQEEW 	C37H53N9O16	879.361	NA	PeJP	NA	NA
+PJ063732	SSDKEEW 	C37H53N9O16	879.3611	NA	PeJP	NA	NA
+PJ063733	GVQEMMW 	C38H57N9O11S2	879.3619	NA	PeJP	NA	NA
+PJ063734	GSQEHHW 	C38H49N13O12	879.3624	NA	PeJP	NA	NA
+PJ063735	AMFYYW 	C46H53N7O9S	879.3626	NA	PeJP	NA	NA
+PJ063736	SQKEEEM 	C34H57N9O16S	879.3644	NA	PeJP	NA	NA
+PJ063737	DKEYYY 	C42H53N7O14	879.3651	NA	PeJP	NA	NA
+PJ063738	PNKEMMM 	C35H61N9O11S3	879.3653	NA	PeJP	NA	NA
+PJ063739	SSCNQRW 	C35H53N13O12S	879.3658	NA	PeJP	NA	NA
+PJ063740	AAMMFFY 	C43H57N7O9S2	879.3659	NA	PeJP	NA	NA
+PJ063741	GCLMFFY 	C43H57N7O9S2	879.366	NA	PeJP	NA	NA
+PJ063742	NNNFWW 	C43H49N11O10	879.3664	NA	PeJP	NA	NA
+PJ063743	SSSSNNER 	C31H53N13O17	879.3683	NA	PeJP	NA	NA
+PJ063744	TTTTMYY 	C39H57N7O14S	879.3684	NA	PeJP	NA	NA
+PJ063745	PVEEEMF 	C39H57N7O14S	879.3685	NA	PeJP	NA	NA
+PJ063746	ACDEMRR 	C32H57N13O12S2	879.3691	NA	PeJP	NA	NA
+PJ063747	GDDMMRR 	C32H57N13O12S2	879.3692	NA	PeJP	NA	NA
+PJ063748	SDMRWW 	C40H53N11O10S	879.3698	NA	PeJP	NA	NA
+PJ063749	VLEEEMM 	C36H61N7O14S2	879.3718	NA	PeJP	NA	NA
+PJ063750	SSSEERW 	C36H53N11O15	879.3723	NA	PeJP	NA	NA
+PJ063751	QEMMRW 	C37H57N11O10S2	879.3732	NA	PeJP	NA	NA
+PJ063752	SPEHHHH 	C37H49N15O11	879.3736	NA	PeJP	NA	NA
+PJ063753	ATMWWW 	C45H53N9O8S	879.3738	NA	PeJP	NA	NA
+PJ063754	STQEEMR 	C33H57N11O15S	879.3757	NA	PeJP	NA	NA
+PJ063755	GTTTEWW 	C41H53N9O13	879.3763	NA	PeJP	NA	NA
+PJ063756	SPQMMMR 	C34H61N11O10S3	879.3765	NA	PeJP	NA	NA
+PJ063757	GGGPCCKKM 	C34H61N11O10S3	879.3766	NA	PeJP	NA	NA
+PJ063758	GNEMHHR 	C34H53N15O11S	879.377	NA	PeJP	NA	NA
+PJ063759	VQMMWW 	C42H57N9O8S2	879.3772	NA	PeJP	NA	NA
+PJ063760	SQHHWW 	C42H49N13O9	879.3777	NA	PeJP	NA	NA
+PJ063761	GTKEEMW 	C38H57N9O13S	879.3797	NA	PeJP	NA	NA
+PJ063762	SVYYYW 	C46H53N7O11	879.3803	NA	PeJP	NA	NA
+PJ063763	SCNNMRR 	C31H57N15O11S2	879.3804	NA	PeJP	NA	NA
+PJ063764	GPKMMMW 	C39H61N9O8S3	879.3806	NA	PeJP	NA	NA
+PJ063765	AAQMHHW 	C39H53N13O9S	879.381	NA	PeJP	NA	NA
+PJ063766	GSTTKEEE 	C34H57N9O18	879.3822	NA	PeJP	NA	NA
+PJ063767	VNKEEMM 	C35H61N9O13S2	879.3831	NA	PeJP	NA	NA
+PJ063768	GSSSSNRW 	C35H53N13O14	879.3835	NA	PeJP	NA	NA
+PJ063769	GGGGGGAERY 	C35H53N13O14	879.3836	NA	PeJP	NA	NA
+PJ063770	LQMYYY 	C43H57N7O11S	879.3837	NA	PeJP	NA	NA
+PJ063771	CEMRRW 	C36H57N13O9S2	879.3844	NA	PeJP	NA	NA
+PJ063772	GQQHHHH 	C36H49N17O10	879.3849	NA	PeJP	NA	NA
+PJ063773	PTLEEEY 	C39H57N7O16	879.3862	NA	PeJP	NA	NA
+PJ063774	SSDEMRR 	C32H57N13O14S	879.3869	NA	PeJP	NA	NA
+PJ063775	PPLEMMY 	C40H61N7O11S2	879.3871	NA	PeJP	NA	NA
+PJ063776	QQQQYW 	C40H53N11O12	879.3875	NA	PeJP	NA	NA
+PJ063777	GSPDRYW 	C40H53N11O12	879.3876	NA	PeJP	NA	NA
+PJ063778	SPCMMRR 	C33H61N13O9S3	879.3878	NA	PeJP	NA	NA
+PJ063779	GCDHHRR 	C33H53N17O10S	879.3883	NA	PeJP	NA	NA
+PJ063780	AMMRWW 	C41H57N11O7S2	879.3884	NA	PeJP	NA	NA
+PJ063781	GTTEMRW 	C37H57N11O12S	879.3909	NA	PeJP	NA	NA
+PJ063782	GGGGGGGALMF 	C37H57N11O12S	879.391	NA	PeJP	NA	NA
+PJ063783	TTTWWW 	C45H53N9O10	879.3916	NA	PeJP	NA	NA
+PJ063784	NMHHRW 	C38H53N15O8S	879.3923	NA	PeJP	NA	NA
+PJ063785	GSTTTEER 	C33H57N11O17	879.3934	NA	PeJP	NA	NA
+PJ063786	GKEEMMR 	C34H61N11O12S2	879.3943	NA	PeJP	NA	NA
+PJ063787	SSQEHHR 	C34H53N15O13	879.3948	NA	PeJP	NA	NA
+PJ063788	TKEMWW 	C42H57N9O10S	879.3949	NA	PeJP	NA	NA
+PJ063789	GGGPLMYW 	C42H57N9O10S	879.395	NA	PeJP	NA	NA
+PJ063790	AFFFYW 	C50H53N7O8	879.3956	NA	PeJP	NA	NA
+PJ063791	STTKEEW 	C38H57N9O15	879.3974	NA	PeJP	NA	NA
+PJ063792	GGPTKEEY 	C38H57N9O15	879.3975	NA	PeJP	NA	NA
+PJ063793	GSSSCQRR 	C31H57N15O13S	879.3981	NA	PeJP	NA	NA
+PJ063794	GVKEMMW 	C39H61N9O10S2	879.3983	NA	PeJP	NA	NA
+PJ063795	NNQRYW 	C39H53N13O11	879.3988	NA	PeJP	NA	NA
+PJ063796	AAMFFFF 	C47H57N7O8S	879.399	NA	PeJP	NA	NA
+PJ063797	SKKEEEM 	C35H61N9O15S	879.4008	NA	PeJP	NA	NA
+PJ063798	GTTLYYY 	C43H57N7O13	879.4015	NA	PeJP	NA	NA
+PJ063799	PDKKMMM 	C36H65N9O10S3	879.4017	NA	PeJP	NA	NA
+PJ063800	SSCNKRW 	C36H57N13O11S	879.4021	NA	PeJP	NA	NA
+PJ063801	GGSSCKRW 	C36H57N13O11S	879.4022	NA	PeJP	NA	NA
+PJ063802	GEFRWW 	C44H53N11O9	879.4028	NA	PeJP	NA	NA
+PJ063803	SSSSTQQR 	C32H57N13O16	879.4046	NA	PeJP	NA	NA
+PJ063804	SSSSNDKR 	C32H57N13O16	879.4047	NA	PeJP	NA	NA
+PJ063805	PVLEEMY 	C40H61N7O13S	879.4048	NA	PeJP	NA	NA
+PJ063806	GTEMMRR 	C33H61N13O11S2	879.4055	NA	PeJP	NA	NA
+PJ063807	TTMRWW 	C41H57N11O9S	879.4062	NA	PeJP	NA	NA
+PJ063808	GVFWWW 	C49H53N9O7	879.4068	NA	PeJP	NA	NA
+PJ063809	STTTERW 	C37H57N11O14	879.4087	NA	PeJP	NA	NA
+PJ063810	ATCLMRW 	C38H61N11O9S2	879.4095	NA	PeJP	NA	NA
+PJ063811	KEMMRW 	C38H61N11O9S2	879.4096	NA	PeJP	NA	NA
+PJ063812	GSTHHRW 	C38H53N15O10	879.41	NA	PeJP	NA	NA
+PJ063813	LMHFFW 	C46H57N9O7S	879.4102	NA	PeJP	NA	NA
+PJ063814	SSPTTTMR 	C34H61N11O14S	879.412	NA	PeJP	NA	NA
+PJ063815	STKEEMR 	C34H61N11O14S	879.4121	NA	PeJP	NA	NA
+PJ063816	SSTTLWW 	C42H57N9O12	879.4127	NA	PeJP	NA	NA
+PJ063817	SPKMMMR 	C35H65N11O9S3	879.4129	NA	PeJP	NA	NA
+PJ063818	GCNQFRR 	C35H57N15O10S	879.4134	NA	PeJP	NA	NA
+PJ063819	VKMMWW 	C43H61N9O7S2	879.4136	NA	PeJP	NA	NA
+PJ063820	SKHHWW 	C43H53N13O8	879.414	NA	PeJP	NA	NA
+PJ063821	GVHHHFF 	C43H53N13O8	879.4141	NA	PeJP	NA	NA
+PJ063822	SSSSSNRR 	C31H57N15O15	879.4159	NA	PeJP	NA	NA
+PJ063823	SSLKEMW 	C39H61N9O12S	879.4161	NA	PeJP	NA	NA
+PJ063824	PKFYYY 	C47H57N7O10	879.4167	NA	PeJP	NA	NA
+PJ063825	SCCQKRR 	C32H61N15O10S2	879.4168	NA	PeJP	NA	NA
+PJ063826	PCRRYW 	C40H57N13O8S	879.4174	NA	PeJP	NA	NA
+PJ063827	FRWWW 	C48H53N11O6	879.4181	NA	PeJP	NA	NA
+PJ063828	SSSTLKEE 	C35H61N9O17	879.4186	NA	PeJP	NA	NA
+PJ063829	VDKKEMM 	C36H65N9O12S2	879.4194	NA	PeJP	NA	NA
+PJ063830	GATLKEMM 	C36H65N9O12S2	879.4195	NA	PeJP	NA	NA
+PJ063831	QEERRY 	C36H57N13O13	879.4199	NA	PeJP	NA	NA
+PJ063832	LKMYYY 	C44H61N7O10S	879.4201	NA	PeJP	NA	NA
+PJ063833	TMMRRW 	C37H61N13O8S2	879.4208	NA	PeJP	NA	NA
+PJ063834	GQKHHHH 	C37H53N17O9	879.4213	NA	PeJP	NA	NA
+2572	vasopressin	CYFQNCPRG~	879.4219	antibacterial	Inhouse_peptide	NA	peptide
+PJ063835	VVLEEEY 	C40H61N7O15	879.4226	NA	PeJP	NA	NA
+PJ063836	STTEMRR 	C33H61N13O13S	879.4233	NA	PeJP	NA	NA
+PJ063837	PLLEMMF 	C41H65N7O10S2	879.4235	NA	PeJP	NA	NA
+PJ063838	VQERYW 	C41H57N11O11	879.4239	NA	PeJP	NA	NA
+PJ063839	GGGGGVKYW 	C41H57N11O11	879.424	NA	PeJP	NA	NA
+PJ063840	GVMMMRR 	C34H65N13O8S3	879.4242	NA	PeJP	NA	NA
+PJ063841	GSMHHRR 	C34H57N17O9S	879.4246	NA	PeJP	NA	NA
+PJ063842	HHHFFR 	C42H53N15O7	879.4253	NA	PeJP	NA	NA
+PJ063843	LLLEMMM 	C38H69N7O10S3	879.4268	NA	PeJP	NA	NA
+PJ063844	SSTLMRW 	C38H61N11O11S	879.4273	NA	PeJP	NA	NA
+PJ063845	PTKYWW 	C46H57N9O9	879.428	NA	PeJP	NA	NA
+PJ063846	SSSTTLER 	C34H61N11O16	879.4298	NA	PeJP	NA	NA
+PJ063847	SVKEMMR 	C35H65N11O11S2	879.4307	NA	PeJP	NA	NA
+PJ063848	GSNQRRY 	C35H57N15O12	879.4311	NA	PeJP	NA	NA
+PJ063849	DDRRRY 	C35H57N15O12	879.4312	NA	PeJP	NA	NA
+PJ063850	GPVKMYW 	C43H61N9O9S	879.4313	NA	PeJP	NA	NA
+PJ063851	SSSSTLLW 	C39H61N9O14	879.4338	NA	PeJP	NA	NA
+PJ063852	GGPPPVLDE 	C39H61N9O14	879.4339	NA	PeJP	NA	NA
+PJ063853	GSSSCKRR 	C32H61N15O12S	879.4345	NA	PeJP	NA	NA
+PJ063854	ATLKMMW 	C40H65N9O9S2	879.4347	NA	PeJP	NA	NA
+PJ063855	AERRYW 	C40H57N13O10	879.4352	NA	PeJP	NA	NA
+PJ063856	MMMRRR 	C33H65N15O7S3	879.4354	NA	PeJP	NA	NA
+PJ063857	GTTTLKEM 	C36H65N9O14S	879.4372	NA	PeJP	NA	NA
+PJ063858	PPVLEYY 	C44H61N7O12	879.4379	NA	PeJP	NA	NA
+PJ063859	VLQKMMM 	C37H69N9O9S3	879.4381	NA	PeJP	NA	NA
+PJ063860	GPTMRRY 	C37H61N13O10S	879.4385	NA	PeJP	NA	NA
+PJ063861	AAEMFRR 	C37H61N13O10S	879.4386	NA	PeJP	NA	NA
+PJ063862	GLRYWW 	C45H57N11O8	879.4392	NA	PeJP	NA	NA
+PJ063863	SSSSTQKR 	C33H61N13O15	879.441	NA	PeJP	NA	NA
+PJ063864	VLLEEMF 	C41H65N7O12S	879.4412	NA	PeJP	NA	NA
+PJ063865	SSLMMRR 	C34H65N13O10S2	879.4419	NA	PeJP	NA	NA
+PJ063866	SSTHHRR 	C34H57N17O11	879.4424	NA	PeJP	NA	NA
+PJ063867	PKMRYW 	C42H61N11O8S	879.4426	NA	PeJP	NA	NA
+PJ063868	GSSSTKKW 	C38H61N11O13	879.4451	NA	PeJP	NA	NA
+PJ063869	GCKKKMW 	C39H65N11O8S2	879.4459	NA	PeJP	NA	NA
+PJ063870	PEHRRW 	C39H57N15O9	879.4464	NA	PeJP	NA	NA
+PJ063871	SSSSLLMR 	C35H65N11O13S	879.4484	NA	PeJP	NA	NA
+PJ063872	AALKEYW 	C43H61N9O11	879.4491	NA	PeJP	NA	NA
+PJ063873	ALKMMMR 	C36H69N11O8S3	879.4493	NA	PeJP	NA	NA
+PJ063874	DMFRRR 	C36H61N15O9S	879.4498	NA	PeJP	NA	NA
+PJ063875	PVHRWW 	C44H57N13O7	879.4504	NA	PeJP	NA	NA
+PJ063876	TTTLKMW 	C40H65N9O11S	879.4525	NA	PeJP	NA	NA
+PJ063877	LKFFYY 	C48H61N7O9	879.4531	NA	PeJP	NA	NA
+PJ063878	CLFRRW 	C41H61N13O7S	879.4538	NA	PeJP	NA	NA
+PJ063879	STTTTLKE 	C36H65N9O16	879.4549	NA	PeJP	NA	NA
+PJ063880	TTTTTLDK 	C36H65N9O16	879.455	NA	PeJP	NA	NA
+PJ063881	TLKKEMM 	C37H69N9O11S2	879.4558	NA	PeJP	NA	NA
+PJ063882	KEERRY 	C37H61N13O12	879.4563	NA	PeJP	NA	NA
+PJ063883	PPLLMFY 	C45H65N7O9S	879.4565	NA	PeJP	NA	NA
+PJ063884	QHHFRR 	C38H57N17O8	879.4576	NA	PeJP	NA	NA
+PJ063885	GAHHFRR 	C38H57N17O8	879.4577	NA	PeJP	NA	NA
+PJ063886	TLLLEEY 	C41H65N7O14	879.459	NA	PeJP	NA	NA
+PJ063887	GSSSKKMR 	C34H65N13O12S	879.4597	NA	PeJP	NA	NA
+PJ063888	PLLLMMY 	C42H69N7O9S2	879.4599	NA	PeJP	NA	NA
+PJ063889	VKERYW 	C42H61N11O10	879.4603	NA	PeJP	NA	NA
+PJ063890	STCKKKW 	C39H65N11O10S	879.4637	NA	PeJP	NA	NA
+PJ063891	VVKYWW 	C47H61N9O8	879.4643	NA	PeJP	NA	NA
+PJ063892	PPPVVWW 	C47H61N9O8	879.4644	NA	PeJP	NA	NA
+PJ063893	STTTTTLR 	C35H65N11O15	879.4662	NA	PeJP	NA	NA
+PJ063894	TTLKMMR 	C36H69N11O10S2	879.4671	NA	PeJP	NA	NA
+PJ063895	TERRRY 	C36H61N15O11	879.4675	NA	PeJP	NA	NA
+PJ063896	GGGSPPPRR 	C36H61N15O11	879.4676	NA	PeJP	NA	NA
+PJ063897	GVLKMFW 	C44H65N9O8S	879.4677	NA	PeJP	NA	NA
+PJ063898	ALKKEEY 	C40H65N9O13	879.4702	NA	PeJP	NA	NA
+PJ063899	PVKKMMF 	C41H69N9O8S2	879.4711	NA	PeJP	NA	NA
+PJ063900	SLRRYW 	C41H61N13O9	879.4716	NA	PeJP	NA	NA
+3797	NA	WWPKHK~	879.472	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ063901	SSTTLLKM 	C37H69N9O13S	879.4736	NA	PeJP	NA	NA
+PJ063902	PVLLEFY 	C45H65N7O11	879.4742	NA	PeJP	NA	NA
+PJ063903	VLKKMMM 	C38H73N9O8S3	879.4745	NA	PeJP	NA	NA
+PJ063904	AALMRRY 	C38H65N13O9S	879.4749	NA	PeJP	NA	NA
+MJ096781	Hymenamide A 	C46H61N11O7	879.475543	NA	MeJP	NA	NA
+PJ063905	PKFFRW 	C46H61N11O7	879.4756	NA	PeJP	NA	NA
+PJ063906	SSSSTKKR 	C34H65N13O14	879.4774	NA	PeJP	NA	NA
+PJ063907	VLLLEMY 	C42H69N7O11S	879.4776	NA	PeJP	NA	NA
+PJ063908	SCKKKMR 	C35H69N13O9S2	879.4783	NA	PeJP	NA	NA
+PJ063909	GVQQHRR 	C35H61N17O10	879.4788	NA	PeJP	NA	NA
+PJ063910	LKMFRW 	C43H65N11O7S	879.479	NA	PeJP	NA	NA
+PJ063911	ATLKERY 	C39H65N11O12	879.4814	NA	PeJP	NA	NA
+PJ063912	VVTDKRY 	C39H65N11O12	879.4815	NA	PeJP	NA	NA
+PJ063913	APPHFRR 	C40H61N15O8	879.4828	NA	PeJP	NA	NA
+PJ063914	GSTTKKKM 	C36H69N11O12S	879.4848	NA	PeJP	NA	NA
+PJ063915	GTLLKYW 	C44H65N9O10	879.4855	NA	PeJP	NA	NA
+PJ063916	VMRRRY 	C37H65N15O8S	879.4862	NA	PeJP	NA	NA
+PJ063917	PTLKKMY 	C41H69N9O10S	879.4888	NA	PeJP	NA	NA
+PJ063918	GGVLLKMY 	C41H69N9O10S	879.4889	NA	PeJP	NA	NA
+PJ063919	PPLLFFF 	C49H65N7O8	879.4895	NA	PeJP	NA	NA
+PJ063920	QQHRRR 	C34H61N19O9	879.49	NA	PeJP	NA	NA
+PJ063921	ATTLRRY 	C38H65N13O11	879.4927	NA	PeJP	NA	NA
+PJ063922	PLLLMFF 	C46H69N7O8S	879.4929	NA	PeJP	NA	NA
+PJ063923	KHHFRR 	C39H61N17O7	879.494	NA	PeJP	NA	NA
+PJ063924	LLLLMMF 	C43H73N7O8S2	879.4962	NA	PeJP	NA	NA
+PJ063925	QKKKYW 	C43H65N11O9	879.4967	NA	PeJP	NA	NA
+PJ063926	GLLKMRY 	C40H69N11O9S	879.5001	NA	PeJP	NA	NA
+PJ063927	SSTTTKKK 	C36H69N11O14	879.5026	NA	PeJP	NA	NA
+PJ063928	SKKKKMM 	C37H73N11O9S2	879.5035	NA	PeJP	NA	NA
+PJ063929	GLLEHRR 	C37H65N15O10	879.5039	NA	PeJP	NA	NA
+HMDB12450	PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H74NO10P	879.505005	NA	HMDB2010	NA	NA
+PJ063930	SLLKKEY 	C41H69N9O12	879.5066	NA	PeJP	NA	NA
+PJ063931	AVVLHRW 	C42H65N13O8	879.5079	NA	PeJP	NA	NA
+PJ063932	GVLLHRW 	C42H65N13O8	879.508	NA	PeJP	NA	NA
+PJ063933	PVLLLYY 	C46H69N7O10	879.5106	NA	PeJP	NA	NA
+PJ063934	ACKKKFR 	C39H69N13O8S	879.5113	NA	PeJP	NA	NA
+MJ096782	Boromycin 	C45H74BNO15	879.515151	NA	MeJP	NA	NA
+PJ063935	APPQRRR 	C36H65N17O9	879.5152	NA	PeJP	NA	NA
+PJ063936	STLLKRY 	C40H69N11O11	879.5178	NA	PeJP	NA	NA
+PJ063937	GPPVLLER 	C40H69N11O11	879.5179	NA	PeJP	NA	NA
+PJ063938	LLHRRW 	C41H65N15O7	879.5192	NA	PeJP	NA	NA
+PJ063939	AAPPLLLW 	C45H69N9O9	879.5219	NA	PeJP	NA	NA
+PJ063940	VVLKKMY 	C42H73N9O9S	879.5252	NA	PeJP	NA	NA
+PJ063941	QKHRRR 	C35H65N19O8	879.5264	NA	PeJP	NA	NA
+PJ063942	GTKKKRY 	C39H69N13O10	879.5291	NA	PeJP	NA	NA
+PJ063943	KKKKYW 	C44H69N11O8	879.5331	NA	PeJP	NA	NA
+PJ063944	AKKKKMF 	C41H73N11O8S	879.5365	NA	PeJP	NA	NA
+PJ063945	SVLLHRR 	C38H69N15O9	879.5403	NA	PeJP	NA	NA
+PJ063946	APPLLLKE 	C42H73N9O11	879.543	NA	PeJP	NA	NA
+PJ063947	VLLLLFY 	C47H73N7O9	879.547	NA	PeJP	NA	NA
+PJ063948	APPKRRR 	C37H69N17O8	879.5515	NA	PeJP	NA	NA
+PJ063949	SVKKKKY 	C41H73N11O10	879.5542	NA	PeJP	NA	NA
+PJ063950	VVLKKFF 	C46H73N9O8	879.5582	NA	PeJP	NA	NA
+PJ063951	KKHRRR 	C36H69N19O7	879.5628	NA	PeJP	NA	NA
+PJ063952	TLLLKHR 	C40H73N13O9	879.5655	NA	PeJP	NA	NA
+PJ063953	PPVKKRR 	C39H73N15O8	879.5767	NA	PeJP	NA	NA
+HMDB08682	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H82NO8P	879.57782	NA	HMDB2010	NA	NA
+HMDB08715	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H82NO8P	879.57782	NA	HMDB2010	NA	NA
+HMDB08746	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C52H82NO8P	879.57782	NA	HMDB2010	NA	NA
+HMDB08747	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C52H82NO8P	879.57782	NA	HMDB2010	NA	NA
+PJ063954	SPPLLLLK 	C43H77N9O10	879.5794	NA	PeJP	NA	NA
+PJ063955	GPVLLLLR 	C42H77N11O9	879.5906	NA	PeJP	NA	NA
+EUR1017	PC 40:6 [M+FA-H]-	C48H84NO8P	879.598337	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1017	PC 40:6 [M+FA-H]-	C48H84NO8P	879.598337	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1017	PC 40:6 [M+FA-H]-	C48H84NO8P	879.598337	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1017	PC 40:6 [M+FA-H]-	C48H84NO8P	879.598337	masses lipides attendues	Inhousejuil11	NA	NA
+PJ063956	PLLLLRR 	C41H77N13O8	879.6018	NA	PeJP	NA	NA
+PJ063957	VLKKKKH 	C41H77N13O8	879.6019	NA	PeJP	NA	NA
+PJ063958	APLLLLLK 	C44H81N9O9	879.6158	NA	PeJP	NA	NA
+EUR1142	SM(d18:1/26:5) [M+FA-H]-	C49H90N2O6P	879.658531	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1142	SM(d18:1/26:5) [M+FA-H]-	C49H90N2O6P	879.658531	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1142	SM(d18:1/26:5) [M+FA-H]-	C49H90N2O6P	879.658531	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1142	SM(d18:1/26:5) [M+FA-H]-	C49H90N2O6P	879.658531	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09606	PE(22:4(7Z,10Z,13Z,16Z)/24:0)	C51H94NO8P	879.671692	NA	HMDB2010	NA	NA
+HMDB09735	PE(24:0/22:4(7Z,10Z,13Z,16Z))	C51H94NO8P	879.671692	NA	HMDB2010	NA	NA
+HMDB13453	PC(o-22:1(13Z)/22:3(10Z,13Z,16Z))	C52H98NO7P	879.708069	NA	HMDB2010	NA	NA
+HMDB13455	PC(o-22:2(13Z,16Z)/22:2(13Z,16Z))	C52H98NO7P	879.708069	NA	HMDB2010	NA	NA
+HMDB13460	PC(o-24:0/20:4(8Z,11Z,14Z,17Z))	C52H98NO7P	879.708069	NA	HMDB2010	NA	NA
+MJ096783	3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone; 2'',3'',6''-Tris(3,4,5-trihydroxybenzoyl) 	C40H32O23	880.133437	NA	MeJP	NA	NA
+PJ063959	CCCCCCDE 	C27H44N8O13S6	880.1353	NA	PeJP	NA	NA
+PJ063960	SCCCCCEM 	C28H48N8O12S6	880.1716	NA	PeJP	NA	NA
+PJ063961	GCCCCDDY 	C31H44N8O14S4	880.186	NA	PeJP	NA	NA
+PJ063962	PCCCCCCF 	C32H48N8O9S6	880.1869	NA	PeJP	NA	NA
+PJ063963	GCCCCMMM 	C29H52N8O9S7	880.1903	NA	PeJP	NA	NA
+PJ063964	SPCCCCCY 	C32H48N8O11S5	880.2046	NA	PeJP	NA	NA
+PJ063965	GCCCCDMF 	C32H48N8O11S5	880.2047	NA	PeJP	NA	NA
+MJ096784	Rabdosiin; 7-O-?-D-Glucopyranoside 	C42H40O21	880.206208	NA	MeJP	NA	NA
+PJ063966	STCCCCMM 	C29H52N8O11S6	880.208	NA	PeJP	NA	NA
+PJ063967	GCCCDDEH 	C30H44N10O15S3	880.215	NA	PeJP	NA	NA
+PJ063968	GDDDDDDD 	C30H40N8O23	880.2207	NA	PeJP	NA	NA
+PJ063969	GSCCCDMY 	C32H48N8O13S4	880.2224	NA	PeJP	NA	NA
+PJ063970	CCCDDHW 	C34H44N10O12S3	880.2303	NA	PeJP	NA	NA
+PJ063971	SSCCDDDH 	C30H44N10O17S2	880.2328	NA	PeJP	NA	NA
+PJ063972	SPCCCCEH 	C31H48N10O12S4	880.2336	NA	PeJP	NA	NA
+PJ063973	TCCCCYW 	C36H48N8O10S4	880.2377	NA	PeJP	NA	NA
+PJ063974	SPCDDDDD 	C31H44N8O20S	880.2393	NA	PeJP	NA	NA
+PJ063975	SSSCCCEY 	C32H48N8O15S3	880.2402	NA	PeJP	NA	NA
+PJ063976	CCCQMMY 	C33H52N8O10S5	880.241	NA	PeJP	NA	NA
+PJ063977	GCCCNNMH 	C30H48N12O11S4	880.2449	NA	PeJP	NA	NA
+PJ063978	GCNNDDDE 	C30H44N10O19S	880.2505	NA	PeJP	NA	NA
+PJ063979	GGGGGCDDDE 	C30H44N10O19S	880.2506	NA	PeJP	NA	NA
+PJ063980	GSCCDEMH 	C31H48N10O14S3	880.2514	NA	PeJP	NA	NA
+PJ063981	CCCCMRY 	C32H52N10O9S5	880.2523	NA	PeJP	NA	NA
+PJ063982	CCCNEFY 	C36H48N8O12S3	880.2554	NA	PeJP	NA	NA
+PJ063983	GSDDDDEE 	C31H44N8O22	880.2571	NA	PeJP	NA	NA
+PJ063984	GPCDDDEM 	C32H48N8O17S2	880.2579	NA	PeJP	NA	NA
+PJ063985	GSSCCMMY 	C33H52N8O12S4	880.2588	NA	PeJP	NA	NA
+PJ063986	SSCCCNQH 	C30H48N12O13S3	880.2626	NA	PeJP	NA	NA
+PJ063987	GGGGGGPCCCN 	C30H48N12O13S3	880.2627	NA	PeJP	NA	NA
+PJ063988	CNNDDDW 	C34H44N10O16S	880.2658	NA	PeJP	NA	NA
+PJ063989	SCCDMHW 	C35H48N10O11S3	880.2667	NA	PeJP	NA	NA
+PJ063990	SSNNDDDD 	C30H44N10O21	880.2683	NA	PeJP	NA	NA
+PJ063991	SSSCDDMH 	C31H48N10O16S2	880.2692	NA	PeJP	NA	NA
+PJ063992	CNDMMMH 	C32H52N10O11S4	880.27	NA	PeJP	NA	NA
+PJ063993	GCCCFYW 	C40H48N8O9S3	880.2707	NA	PeJP	NA	NA
+PJ063994	SDDDDEW 	C35H44N8O19	880.2723	NA	PeJP	NA	NA
+PJ063995	PCDDDMW 	C36H48N8O14S2	880.2732	NA	PeJP	NA	NA
+PJ063996	CCCQMFF 	C37H52N8O9S4	880.274	NA	PeJP	NA	NA
+PJ063997	GACCCMFF 	C37H52N8O9S4	880.2741	NA	PeJP	NA	NA
+PJ063998	NDDEEEM 	C32H48N8O19S	880.2757	NA	PeJP	NA	NA
+PJ063999	SSSTCCMY 	C33H52N8O14S3	880.2765	NA	PeJP	NA	NA
+PJ064000	SPPCCDEM 	C33H52N8O14S3	880.2766	NA	PeJP	NA	NA
+PJ064001	CCCKMMY 	C34H56N8O9S5	880.2774	NA	PeJP	NA	NA
+PJ064002	GSSSSCCNH 	C30H48N12O15S2	880.2804	NA	PeJP	NA	NA
+PJ064003	CCCEMHR 	C31H52N12O10S4	880.2813	NA	PeJP	NA	NA
+PJ064004	GSPCCNDW 	C35H48N10O13S2	880.2844	NA	PeJP	NA	NA
+PJ064005	ACCMMHW 	C36H52N10O8S4	880.2853	NA	PeJP	NA	NA
+PJ064006	DDDDDMR 	C31H48N10O18S	880.2869	NA	PeJP	NA	NA
+PJ064007	GSSCEMMH 	C32H52N10O13S3	880.2878	NA	PeJP	NA	NA
+PJ064008	GSCCYYW 	C40H48N8O11S2	880.2884	NA	PeJP	NA	NA
+PJ064009	CCNMHHH 	C33H48N14O9S3	880.2891	NA	PeJP	NA	NA
+PJ064010	GDDEEMW 	C36H48N8O16S	880.2909	NA	PeJP	NA	NA
+PJ064011	GCNMMYY 	C37H52N8O11S3	880.2918	NA	PeJP	NA	NA
+PJ064012	GSSDEEEE 	C32H48N8O21	880.2934	NA	PeJP	NA	NA
+PJ064013	GSPDDEMM 	C33H52N8O16S2	880.2943	NA	PeJP	NA	NA
+PJ064014	NDDDEHH 	C33H44N12O17	880.2948	NA	PeJP	NA	NA
+PJ064015	GPPCDMMM 	C34H56N8O11S4	880.2952	NA	PeJP	NA	NA
+PJ064016	CCNNNQW 	C34H48N12O12S2	880.2956	NA	PeJP	NA	NA
+PJ064017	GGGGCCNQW 	C34H48N12O12S2	880.2957	NA	PeJP	NA	NA
+PJ064018	SSCNNNNE 	C30H48N12O17S	880.2981	NA	PeJP	NA	NA
+PJ064019	GSCNDDDR 	C30H48N12O17S	880.2982	NA	PeJP	NA	NA
+PJ064020	GPCCCNER 	C31H52N12O12S3	880.299	NA	PeJP	NA	NA
+PJ064021	GCCEHFW 	C39H48N10O10S2	880.2997	NA	PeJP	NA	NA
+FL5FABGI0022	Anhydroicaritin 3-(6'''-acetylgalactosyl)(1->3)-rhamnoside-7-glucoside	C41H52O21	880.3001	128988-54-5	knapsack	NA	NA
+MJ096785	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[6-O-acetyl-?-D-galactopyranosyl-(1?3)-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C41H52O21	880.300108	NA	MeJP	NA	NA
+MJ096786	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C41H52O21	880.300108	NA	MeJP	NA	NA
+PJ064022	SNNDDMW 	C35H48N10O15S	880.3022	NA	PeJP	NA	NA
+PJ064023	SSCMMHW 	C36H52N10O10S3	880.303	NA	PeJP	NA	NA
+PJ064024	GGGAPCCMW 	C36H52N10O10S3	880.3031	NA	PeJP	NA	NA
+PJ064025	SSSNNDEE 	C31H48N10O20	880.3047	NA	PeJP	NA	NA
+PJ064026	SSSSDMMH 	C32H52N10O15S2	880.3055	NA	PeJP	NA	NA
+PJ064027	GGGGNEEMM 	C32H52N10O15S2	880.3056	NA	PeJP	NA	NA
+PJ064028	DDEMWW 	C40H48N8O13S	880.3062	NA	PeJP	NA	NA
+PJ064029	SNMMMMH 	C33H56N10O10S4	880.3064	NA	PeJP	NA	NA
+PJ064030	GSTCCHHH 	C33H48N14O11S2	880.3069	NA	PeJP	NA	NA
+PJ064031	SSDEEEW 	C36H48N8O18	880.3087	NA	PeJP	NA	NA
+PJ064032	SSCQMYY 	C37H52N8O13S2	880.3095	NA	PeJP	NA	NA
+PJ064033	SPDDMMW 	C37H52N8O13S2	880.3096	NA	PeJP	NA	NA
+PJ064034	GDDDHHW 	C37H44N12O14	880.31	NA	PeJP	NA	NA
+PJ064035	CCCKMFF 	C38H56N8O8S4	880.3104	NA	PeJP	NA	NA
+PJ064036	SQEEEEM 	C33H52N8O18S	880.3121	NA	PeJP	NA	NA
+PJ064037	DEEYYY 	C41H48N6O16	880.3127	NA	PeJP	NA	NA
+PJ064038	PNEEMMM 	C34H56N8O13S3	880.3129	NA	PeJP	NA	NA
+PJ064039	GSSCNNNW 	C34H48N12O14S	880.3134	NA	PeJP	NA	NA
+PJ064040	PCCCNRW 	C35H52N12O9S3	880.3143	NA	PeJP	NA	NA
+PJ064041	CCHFWW 	C43H48N10O7S2	880.3149	NA	PeJP	NA	NA
+PJ064042	GSSSSNNND 	C30H48N12O19	880.3159	NA	PeJP	NA	NA
+PJ064043	CNNDEMR 	C31H52N12O14S2	880.3168	NA	PeJP	NA	NA
+PJ064044	GSCNEWW 	C39H48N10O12S	880.3174	NA	PeJP	NA	NA
+PJ064045	TCCMMHR 	C32H56N12O9S4	880.3176	NA	PeJP	NA	NA
+PJ064046	GCCCCKKH 	C32H56N12O9S4	880.3177	NA	PeJP	NA	NA
+PJ064047	GSSSNDEW 	C35H48N10O17	880.3199	NA	PeJP	NA	NA
+PJ064048	GGGGGGDEEF 	C35H48N10O17	880.32	NA	PeJP	NA	NA
+PJ064049	GNNEMMW 	C36H52N10O12S2	880.3208	NA	PeJP	NA	NA
+PJ064050	SDDEEMR 	C32H52N10O17S	880.3233	NA	PeJP	NA	NA
+PJ064051	APDDDYW 	C40H48N8O15	880.3239	NA	PeJP	NA	NA
+PJ064052	GPDDEYW 	C40H48N8O15	880.324	NA	PeJP	NA	NA
+PJ064053	PCDEMMR 	C33H56N10O12S3	880.3242	NA	PeJP	NA	NA
+PJ064054	SSSSCHHH 	C33H48N14O13S	880.3246	NA	PeJP	NA	NA
+PJ064055	GGGGNDMHH 	C33H48N14O13S	880.3247	NA	PeJP	NA	NA
+MJ096787	Cruciatin 	C56H48O10	880.324747	NA	MeJP	NA	NA
+PJ064056	PPCCEFW 	C41H52N8O10S2	880.3248	NA	PeJP	NA	NA
+PJ064057	GTEEEMW 	C37H52N8O15S	880.3273	NA	PeJP	NA	NA
+PJ064058	CCNDDRR 	C30H52N14O13S2	880.328	NA	PeJP	NA	NA
+PJ064059	GPEMMMW 	C38H56N8O10S3	880.3282	NA	PeJP	NA	NA
+PJ064060	SPCDHHW 	C38H48N12O11S	880.3287	NA	PeJP	NA	NA
+PJ064061	GSTTEEEE 	C33H52N8O20	880.3298	NA	PeJP	NA	NA
+PJ064062	VNEEEMM 	C34H56N8O15S2	880.3307	NA	PeJP	NA	NA
+PJ064063	NNNNNEY 	C34H48N12O16	880.3311	NA	PeJP	NA	NA
+PJ064064	GGNNNNEY 	C34H48N12O16	880.3312	NA	PeJP	NA	NA
+PJ064065	EEMFYY 	C42H52N6O13S	880.3313	NA	PeJP	NA	NA
+PJ064066	GSPPMMMM 	C35H60N8O10S4	880.3316	NA	PeJP	NA	NA
+PJ064067	GCNDMRW 	C35H52N12O11S2	880.332	NA	PeJP	NA	NA
+PJ064068	GGGGGGCCKW 	C35H52N12O11S2	880.3321	NA	PeJP	NA	NA
+PJ064069	SCNWWW 	C43H48N10O9S	880.3327	NA	PeJP	NA	NA
+PJ064070	GSSNDDMR 	C31H52N12O16S	880.3345	NA	PeJP	NA	NA
+PJ064071	GGGGGGGGSSTM 	C31H52N12O16S	880.3346	NA	PeJP	NA	NA
+PJ064072	SSSNDWW 	C39H48N10O14	880.3352	NA	PeJP	NA	NA
+PJ064073	GSPCCQMR 	C32H56N12O11S3	880.3354	NA	PeJP	NA	NA
+PJ064074	NNMMWW 	C40H52N10O9S2	880.336	NA	PeJP	NA	NA
+PJ064075	GGNMMWW 	C40H52N10O9S2	880.3361	NA	PeJP	NA	NA
+PJ064076	SSNQEMW 	C36H52N10O14S	880.3385	NA	PeJP	NA	NA
+PJ064077	GGSSQEMW 	C36H52N10O14S	880.3386	NA	PeJP	NA	NA
+PJ064078	PDDYWW 	C44H48N8O12	880.3392	NA	PeJP	NA	NA
+PJ064079	PCCNKMW 	C37H56N10O9S3	880.3394	NA	PeJP	NA	NA
+PJ064080	GCNQHHW 	C37H48N14O10S	880.3399	NA	PeJP	NA	NA
+PJ064081	SSSSQQEE 	C32H52N10O19	880.341	NA	PeJP	NA	NA
+PJ064082	GGSSSTQEE 	C32H52N10O19	880.3411	NA	PeJP	NA	NA
+PJ064083	GEEEMMR 	C33H56N10O14S2	880.3419	NA	PeJP	NA	NA
+PJ064084	SDDDHHR 	C33H48N14O15	880.3424	NA	PeJP	NA	NA
+PJ064085	TEEMWW 	C41H52N8O12S	880.3426	NA	PeJP	NA	NA
+PJ064086	TCKMMMH 	C34H60N10O9S4	880.3428	NA	PeJP	NA	NA
+PJ064087	PCCEHHR 	C34H52N14O10S2	880.3433	NA	PeJP	NA	NA
+PJ064088	PMMMWW 	C42H56N8O7S3	880.3434	NA	PeJP	NA	NA
+PJ064089	STTEEEW 	C37H52N8O17	880.3451	NA	PeJP	NA	NA
+PJ064090	SSSCNNNR 	C30H52N14O15S	880.3458	NA	PeJP	NA	NA
+PJ064091	GVEEMMW 	C38H56N8O12S2	880.3459	NA	PeJP	NA	NA
+PJ064092	GGPPEMMY 	C38H56N8O12S2	880.346	NA	PeJP	NA	NA
+PJ064093	GNNNNYW 	C38H48N12O13	880.3464	NA	PeJP	NA	NA
+PJ064094	GSPCCCRR 	C31H56N14O10S3	880.3466	NA	PeJP	NA	NA
+PJ064095	CCQRWW 	C39H52N12O8S2	880.3473	NA	PeJP	NA	NA
+PJ064096	SSPTTEEM 	C34H56N8O17S	880.3484	NA	PeJP	NA	NA
+PJ064097	SKEEEEM 	C34H56N8O17S	880.3485	NA	PeJP	NA	NA
+PJ064098	PDKEMMM 	C35H60N8O12S3	880.3493	NA	PeJP	NA	NA
+PJ064099	SSCNERW 	C35H52N12O13S	880.3498	NA	PeJP	NA	NA
+PJ064100	NNDFWW 	C43H48N10O11	880.3504	NA	PeJP	NA	NA
+PJ064101	GGGGDFWW 	C43H48N10O11	880.3505	NA	PeJP	NA	NA
+PJ064102	GCMMHFR 	C36H56N12O8S3	880.3507	NA	PeJP	NA	NA
+PJ064103	PCNHHHH 	C36H48N16O9S	880.3511	NA	PeJP	NA	NA
+PJ064104	SSSSNDER 	C31H52N12O18	880.3523	NA	PeJP	NA	NA
+PJ064105	SNNEMMR 	C32H56N12O13S2	880.3532	NA	PeJP	NA	NA
+PJ064106	GSSQMWW 	C40H52N10O11S	880.3538	NA	PeJP	NA	NA
+PJ064107	GSSSTQEW 	C36H52N10O16	880.3563	NA	PeJP	NA	NA
+PJ064108	EEMMRW 	C37H56N10O11S2	880.3572	NA	PeJP	NA	NA
+PJ064109	SSNNHHW 	C37H48N14O12	880.3576	NA	PeJP	NA	NA
+PJ064110	GGSSNHHW 	C37H48N14O12	880.3577	NA	PeJP	NA	NA
+PJ064111	PDMFWW 	C45H52N8O9S	880.3578	NA	PeJP	NA	NA
+PJ064112	STEEEMR 	C33H56N10O16S	880.3597	NA	PeJP	NA	NA
+PJ064113	GPTEEYW 	C41H52N8O14	880.3603	NA	PeJP	NA	NA
+PJ064114	SPEMMMR 	C34H60N10O11S3	880.3605	NA	PeJP	NA	NA
+PJ064115	PTDMMMR 	C34H60N10O11S3	880.3606	NA	PeJP	NA	NA
+PJ064116	CNNNNFR 	C34H52N14O12S	880.361	NA	PeJP	NA	NA
+PJ064117	GGGGGGGGCFR 	C34H52N14O12S	880.3611	NA	PeJP	NA	NA
+PJ064118	VEMMWW 	C42H56N8O9S2	880.3612	NA	PeJP	NA	NA
+PJ064119	SEHHWW 	C42H48N12O10	880.3617	NA	PeJP	NA	NA
+MJ096788	Virotoxin; Viroidin, S-Deoxy 	C38H56N8O14S	880.363669	NA	MeJP	NA	NA
+PJ064120	SSLEEMW 	C38H56N8O14S	880.3637	NA	PeJP	NA	NA
+PJ064121	PEFYYY 	C46H52N6O12	880.3643	NA	PeJP	NA	NA
+PJ064122	EEFFFY 	C46H52N6O12	880.3644	NA	PeJP	NA	NA
+PJ064123	SPVMMMW 	C39H60N8O9S3	880.3646	NA	PeJP	NA	NA
+PJ064124	GSSCRWW 	C39H52N12O10S	880.365	NA	PeJP	NA	NA
+PJ064125	GVDMHHW 	C39H52N12O10S	880.3651	NA	PeJP	NA	NA
+PJ064126	SSSTLEEE 	C34H56N8O19	880.3662	NA	PeJP	NA	NA
+PJ064127	VDKEEMM 	C35H60N8O14S2	880.3671	NA	PeJP	NA	NA
+PJ064128	GSSSSDRW 	C35H52N12O15	880.3675	NA	PeJP	NA	NA
+PJ064129	GGGNEERY 	C35H52N12O15	880.3676	NA	PeJP	NA	NA
+PJ064130	LEMYYY 	C43H56N6O12S	880.3677	NA	PeJP	NA	NA
+PJ064131	PLQMMMM 	C36H64N8O9S4	880.3679	NA	PeJP	NA	NA
+PJ064132	GAPLMMMM 	C36H64N8O9S4	880.368	NA	PeJP	NA	NA
+PJ064133	GSNMMRW 	C36H56N12O10S2	880.3684	NA	PeJP	NA	NA
+PJ064134	GQEHHHH 	C36H48N16O11	880.3689	NA	PeJP	NA	NA
+PJ064135	NMHFFW 	C44H52N10O8S	880.3691	NA	PeJP	NA	NA
+PJ064136	GSSSQEMR 	C32H56N12O15S	880.3709	NA	PeJP	NA	NA
+PJ064137	SSSTQWW 	C40H52N10O13	880.3715	NA	PeJP	NA	NA
+PJ064138	GGSSTTWW 	C40H52N10O13	880.3716	NA	PeJP	NA	NA
+PJ064139	GQQMMMR 	C33H60N12O10S3	880.3718	NA	PeJP	NA	NA
+PJ064140	SCNQHHR 	C33H52N16O11S	880.3722	NA	PeJP	NA	NA
+PJ064141	GGSCQHHR 	C33H52N16O11S	880.3723	NA	PeJP	NA	NA
+PJ064142	CQKMWW 	C41H56N10O8S2	880.3724	NA	PeJP	NA	NA
+MJ096789	Trillenogenin; 24-Epimer, 1-O-[2'',3'',4''-tri-O-acetyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl] 	C43H60O19	880.372879	NA	MeJP	NA	NA
+MJ096790	Trillenogenin; 24-Epimer, 1-O-[2'',4''-di-O-acetyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl], 24-O-Ac 	C43H60O19	880.372879	NA	MeJP	NA	NA
+PJ064143	SSNKEMW 	C37H56N10O13S	880.3749	NA	PeJP	NA	NA
+PJ064144	GGGGPDKMY 	C37H56N10O13S	880.375	NA	PeJP	NA	NA
+PJ064145	PTEYWW 	C45H52N8O11	880.3756	NA	PeJP	NA	NA
+PJ064146	PPCMMFR 	C38H60N10O8S3	880.3758	NA	PeJP	NA	NA
+PJ064147	DMHHRW 	C38H52N14O9S	880.3763	NA	PeJP	NA	NA
+PJ064148	SSSSQKEE 	C33H56N10O18	880.3774	NA	PeJP	NA	NA
+PJ064149	SVEEMMR 	C34H60N10O13S2	880.3783	NA	PeJP	NA	NA
+PJ064150	SNNNNRY 	C34H52N14O14	880.3788	NA	PeJP	NA	NA
+PJ064151	NKMYYY 	C42H56N8O11S	880.3789	NA	PeJP	NA	NA
+PJ064152	GPVEMYW 	C42H56N8O11S	880.379	NA	PeJP	NA	NA
+PJ064153	PCLMMMR 	C35H64N10O8S4	880.3792	NA	PeJP	NA	NA
+PJ064154	GTCCRRW 	C35H56N14O9S2	880.3797	NA	PeJP	NA	NA
+PJ064155	CLHHWW 	C43H52N12O7S	880.3803	NA	PeJP	NA	NA
+PJ064156	SPKEEEY 	C38H56N8O16	880.3815	NA	PeJP	NA	NA
+PJ064157	GSSSCERR 	C31H56N14O14S	880.3822	NA	PeJP	NA	NA
+PJ064158	ATLEMMW 	C39H60N8O11S2	880.3823	NA	PeJP	NA	NA
+PJ064159	NNERYW 	C39H52N12O12	880.3828	NA	PeJP	NA	NA
+PJ064160	GCQMMRR 	C32H60N14O9S3	880.383	NA	PeJP	NA	NA
+PJ064161	CCKRWW 	C40H56N12O7S2	880.3837	NA	PeJP	NA	NA
+PJ064162	QHHHHW 	C40H48N16O8	880.3841	NA	PeJP	NA	NA
+PJ064163	GAHHHHW 	C40H48N16O8	880.3842	NA	PeJP	NA	NA
+PJ064164	GTTTLEEM 	C35H60N8O16S	880.3848	NA	PeJP	NA	NA
+PJ064165	VLQEMMM 	C36H64N8O11S3	880.3857	NA	PeJP	NA	NA
+PJ064166	SSSQMRW 	C36H56N12O12S	880.3862	NA	PeJP	NA	NA
+PJ064167	AQQYWW 	C44H52N10O10	880.3868	NA	PeJP	NA	NA
+PJ064168	SSSSTQER 	C32H56N12O17	880.3887	NA	PeJP	NA	NA
+PJ064169	SNDKMMR 	C33H60N12O12S2	880.3895	NA	PeJP	NA	NA
+PJ064170	GGSDKMMR 	C33H60N12O12S2	880.3896	NA	PeJP	NA	NA
+PJ064171	GSSSNHHR 	C33H52N16O13	880.39	NA	PeJP	NA	NA
+PJ064172	GSSKMWW 	C41H56N10O10S	880.3902	NA	PeJP	NA	NA
+PJ064173	GSSSTKEW 	C37H56N10O15	880.3927	NA	PeJP	NA	NA
+PJ064174	GTQKMMW 	C38H60N10O10S2	880.3936	NA	PeJP	NA	NA
+PJ064175	GPNDHRW 	C38H52N14O11	880.394	NA	PeJP	NA	NA
+PJ064176	GGGPDHRW 	C38H52N14O11	880.3941	NA	PeJP	NA	NA
+PJ064177	PVMYWW 	C46H56N8O8S	880.3942	NA	PeJP	NA	NA
+PJ064178	GCCMRRR 	C31H60N16O8S3	880.3943	NA	PeJP	NA	NA
+PJ064179	GSSDKKEM 	C34H60N10O15S	880.3961	NA	PeJP	NA	NA
+PJ064180	AALEEYW 	C42H56N8O13	880.3967	NA	PeJP	NA	NA
+PJ064181	ALEMMMR 	C35H64N10O10S3	880.3969	NA	PeJP	NA	NA
+PJ064182	GGGGLKMMM 	C35H64N10O10S3	880.397	NA	PeJP	NA	NA
+PJ064183	SSSCRRW 	C35H56N14O11S	880.3974	NA	PeJP	NA	NA
+PJ064184	GPLMMFW 	C43H60N8O8S2	880.3976	NA	PeJP	NA	NA
+PJ064185	GNRYWW 	C43H52N12O9	880.3981	NA	PeJP	NA	NA
+PJ064186	SSSSSDRR 	C31H56N14O16	880.3999	NA	PeJP	NA	NA
+PJ064187	TTTLEMW 	C39H60N8O13S	880.4001	NA	PeJP	NA	NA
+PJ064188	PLYYYY 	C47H56N6O11	880.4007	NA	PeJP	NA	NA
+PJ064189	SSNMMRR 	C32H60N14O11S2	880.4008	NA	PeJP	NA	NA
+PJ064190	GLLMMMW 	C40H64N8O8S3	880.401	NA	PeJP	NA	NA
+PJ064191	NQMFRW 	C40H56N12O9S	880.4014	NA	PeJP	NA	NA
+PJ064192	HHFFFF 	C48H52N10O7	880.4021	NA	PeJP	NA	NA
+PJ064193	STTTTLEE 	C35H60N8O18	880.4026	NA	PeJP	NA	NA
+PJ064194	TLKEEMM 	C36H64N8O13S2	880.4035	NA	PeJP	NA	NA
+PJ064195	GSSSTTRW 	C36H56N12O14	880.4039	NA	PeJP	NA	NA
+PJ064196	GGGGGGGATKY 	C36H56N12O14	880.404	NA	PeJP	NA	NA
+PJ064197	PLKMMMM 	C37H68N8O8S4	880.4043	NA	PeJP	NA	NA
+PJ064198	GTCKMRW 	C37H60N12O9S2	880.4048	NA	PeJP	NA	NA
+PJ064199	GNNHHFR 	C37H52N16O10	880.4053	NA	PeJP	NA	NA
+PJ064200	GSSSKEMR 	C33H60N12O14S	880.4073	NA	PeJP	NA	NA
+PJ064201	SSSTKWW 	C41H56N10O12	880.4079	NA	PeJP	NA	NA
+PJ064202	VEERYW 	C41H56N10O12	880.408	NA	PeJP	NA	NA
+PJ064203	GQKMMMR 	C34H64N12O9S3	880.4082	NA	PeJP	NA	NA
+PJ064204	SCNKHHR 	C34H56N16O10S	880.4086	NA	PeJP	NA	NA
+PJ064205	GGSCKHHR 	C34H56N16O10S	880.4087	NA	PeJP	NA	NA
+PJ064206	CKKMWW 	C42H60N10O7S2	880.4088	NA	PeJP	NA	NA
+PJ064207	APPHHHW 	C42H52N14O8	880.4093	NA	PeJP	NA	NA
+C06399	Hydrogenobyrinate	C45H60N4O14	880.4106	NA	KEGG	NA	NA
+C06400	1-alpha-D-{(1,4)-alpha-D-Glucosyl}(n-1)-alpha-D-glucopyranoside	C12H22O11	880.4106	NA	KEGG	NA	NA
+C06403	[Ribulose-1,5-bisphosphate-carboxylase]-lysine	C7H13N3O2R2	880.4106	NA	KEGG	NA	NA
+C06404	[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine	C8H15N3O2R2	880.4106	NA	KEGG	NA	NA
+C06408	Precorrin 8X	C45H60N4O14	880.4106	NA	KEGG	NA	NA
+C06409	[Methionine synthase]-cob(II)alamin	C62H89CoN13O14P	880.4106	NA	KEGG	NA	NA
+C06410	[Methionine synthase]-methylcob(I)alamin	C63H92CoN13O14P	880.4106	NA	KEGG	NA	NA
+C06411	Flavoprotein	C63H92CoN13O14P	880.4106	NA	KEGG	NA	NA
+C06412	Palmitoyl-protein	C63H92CoN13O14P	880.4106	NA	KEGG	NA	NA
+MJ096791	Hydrogenobyrinate 	C45H60N4O14	880.410602	NA	MeJP	NA	NA
+MJ096792	Precorrin 8X 	C45H60N4O14	880.410602	NA	MeJP	NA	NA
+MetaCyc04234	hydrogenobyrinate [hydrogenobyrinic acid;]	C45H60N4O14	880.410603	NA	metacyc	NA	NA
+MetaCyc04235	precorrin-8x []	C45H60N4O14	880.410603	NA	metacyc	NA	NA
+PJ064208	SSDKKMW 	C38H60N10O12S	880.4113	NA	PeJP	NA	NA
+PJ064209	VVEYWW 	C46H56N8O10	880.412	NA	PeJP	NA	NA
+PJ064210	CNFRRW 	C39H56N14O8S	880.4127	NA	PeJP	NA	NA
+PJ064211	SSSSKKEE 	C34H60N10O17	880.4138	NA	PeJP	NA	NA
+PJ064212	TTLEMMR 	C35H64N10O12S2	880.4147	NA	PeJP	NA	NA
+PJ064213	GSNERRY 	C35H56N14O13	880.4152	NA	PeJP	NA	NA
+PJ064214	APTLMYW 	C43H60N8O10S	880.4153	NA	PeJP	NA	NA
+PJ064215	GVLEMFW 	C43H60N8O10S	880.4154	NA	PeJP	NA	NA
+PJ064216	GLMMHHR 	C36H60N14O8S2	880.416	NA	PeJP	NA	NA
+PJ064217	GTHHHHR 	C36H52N18O9	880.4165	NA	PeJP	NA	NA
+PJ064218	ALKEEEY 	C39H60N8O15	880.4178	NA	PeJP	NA	NA
+PJ064219	VVDKEEY 	C39H60N8O15	880.4179	NA	PeJP	NA	NA
+PJ064220	GSSSTMRR 	C32H60N14O13S	880.4185	NA	PeJP	NA	NA
+PJ064221	STLLMMW 	C40H64N8O10S2	880.4187	NA	PeJP	NA	NA
+PJ064222	NDKRYW 	C40H56N12O11	880.4192	NA	PeJP	NA	NA
+PJ064223	GCKMMRR 	C33H64N14O8S3	880.4194	NA	PeJP	NA	NA
+PJ064224	KHHHHW 	C41H52N16O7	880.4205	NA	PeJP	NA	NA
+PJ064225	SSTTLLEM 	C36H64N8O15S	880.4212	NA	PeJP	NA	NA
+PJ064226	VLKEMMM 	C37H68N8O10S3	880.4221	NA	PeJP	NA	NA
+PJ064227	SSSKMRW 	C37H60N12O11S	880.4225	NA	PeJP	NA	NA
+PJ064228	GVQQMRY 	C37H60N12O11S	880.4226	NA	PeJP	NA	NA
+PJ064229	AQKYWW 	C45H56N10O9	880.4232	NA	PeJP	NA	NA
+PJ064230	SSSSTKER 	C33H60N12O16	880.425	NA	PeJP	NA	NA
+PJ064231	SSSTTDKR 	C33H60N12O16	880.4251	NA	PeJP	NA	NA
+PJ064232	STQKMMR 	C34H64N12O11S2	880.4259	NA	PeJP	NA	NA
+PJ064233	SPNDHRR 	C34H56N16O12	880.4264	NA	PeJP	NA	NA
+PJ064234	GPCKKYW 	C42H60N10O9S	880.4266	NA	PeJP	NA	NA
+PJ064235	PVFFWW 	C50H56N8O7	880.4272	NA	PeJP	NA	NA
+PJ064236	SSSSSLKW 	C38H60N10O14	880.4291	NA	PeJP	NA	NA
+PJ064237	ASKKMMW 	C39H64N10O9S2	880.4299	NA	PeJP	NA	NA
+PJ064238	GTKKMMW 	C39H64N10O9S2	880.43	NA	PeJP	NA	NA
+PJ064239	SNRRYW 	C39H56N14O10	880.4304	NA	PeJP	NA	NA
+PJ064240	VLMFWW 	C47H60N8O7S	880.4306	NA	PeJP	NA	NA
+PJ064241	ASSTKKEM 	C35H64N10O14S	880.4324	NA	PeJP	NA	NA
+PJ064242	GSTTKKEM 	C35H64N10O14S	880.4325	NA	PeJP	NA	NA
+PJ064243	GTLLEYW 	C43H60N8O12	880.4331	NA	PeJP	NA	NA
+PJ064244	SLLMMMR 	C36H68N10O9S3	880.4333	NA	PeJP	NA	NA
+PJ064245	QQMRRY 	C36H60N14O10S	880.4338	NA	PeJP	NA	NA
+PJ064246	PQKHWW 	C44H56N12O8	880.4344	NA	PeJP	NA	NA
+PJ064247	GAPKHWW 	C44H56N12O8	880.4345	NA	PeJP	NA	NA
+PJ064248	SSSSTTRR 	C32H60N14O15	880.4363	NA	PeJP	NA	NA
+PJ064249	PTLKEMY 	C40H64N8O12S	880.4365	NA	PeJP	NA	NA
+PJ064250	LLFYYY 	C48H60N6O10	880.4371	NA	PeJP	NA	NA
+PJ064251	STCKMRR 	C33H64N14O10S2	880.4372	NA	PeJP	NA	NA
+PJ064252	GNNQHRR 	C33H56N18O11	880.4376	NA	PeJP	NA	NA
+PJ064253	GGGGGQHRR 	C33H56N18O11	880.4377	NA	PeJP	NA	NA
+PJ064254	NKMFRW 	C41H60N12O8S	880.4378	NA	PeJP	NA	NA
+C00528	Glycopeptide	C36H64N8O17	880.4389	NA	KEGG	NA	NA
+PJ064255	SSSLLLMM 	C37H68N8O12S2	880.4398	NA	PeJP	NA	NA
+PJ064256	GTQKERY 	C37H60N12O13	880.4403	NA	PeJP	NA	NA
+PJ064257	GGGGGGGGPPVL 	C37H60N12O13	880.4404	NA	PeJP	NA	NA
+PJ064258	PCCKKFR 	C38H64N12O8S2	880.4412	NA	PeJP	NA	NA
+PJ064259	EHHFRR 	C38H56N16O9	880.4417	NA	PeJP	NA	NA
+PJ064260	GSTTTKMR 	C34H64N12O13S	880.4437	NA	PeJP	NA	NA
+PJ064261	QKKEYW 	C42H60N10O11	880.4443	NA	PeJP	NA	NA
+PJ064262	GAPPPKEW 	C42H60N10O11	880.4444	NA	PeJP	NA	NA
+PJ064263	GKKMMMR 	C35H68N12O8S3	880.4446	NA	PeJP	NA	NA
+PJ064264	CQRRRY 	C35H60N16O9S	880.445	NA	PeJP	NA	NA
+MJ096793	Bryostatin 8 	C45H68O17	880.44565	NA	MeJP	NA	NA
+PJ064265	VHHFRW 	C43H56N14O7	880.4457	NA	PeJP	NA	NA
+MJ096794	Ulapualide; Ulapualide A 	C46H64N4O13	880.446988	NA	MeJP	NA	NA
+PJ064266	STTKKMW 	C39H64N10O11S	880.4477	NA	PeJP	NA	NA
+MJ096795	Ferintoic acid B 	C47H60N8O9	880.448325	NA	MeJP	NA	NA
+PJ064267	TLLYWW 	C47H60N8O9	880.4484	NA	PeJP	NA	NA
+PJ064268	SSTTTKKE 	C35H64N10O16	880.4502	NA	PeJP	NA	NA
+PJ064269	SKKKEMM 	C36H68N10O11S2	880.4511	NA	PeJP	NA	NA
+PJ064270	GTTQRRY 	C36H60N14O12	880.4515	NA	PeJP	NA	NA
+PJ064271	GSDKRRY 	C36H60N14O12	880.4516	NA	PeJP	NA	NA
+PJ064272	GVLLMYW 	C44H64N8O9S	880.4517	NA	PeJP	NA	NA
+PJ064273	SLLKEEY 	C40H64N8O14	880.4542	NA	PeJP	NA	NA
+PJ064274	PVLKMMY 	C41H68N8O9S2	880.4551	NA	PeJP	NA	NA
+PJ064275	TQKRYW 	C41H60N12O10	880.4556	NA	PeJP	NA	NA
+PJ064276	GPCHRRR 	C34H60N18O8S	880.4563	NA	PeJP	NA	NA
+PJ064277	TTTTTLLM 	C37H68N8O14S	880.4576	NA	PeJP	NA	NA
+PJ064278	GVQKMRY 	C38H64N12O10S	880.4589	NA	PeJP	NA	NA
+PJ064279	GGGLKMRY 	C38H64N12O10S	880.459	NA	PeJP	NA	NA
+PJ064280	AKKYWW 	C46H60N10O8	880.4596	NA	PeJP	NA	NA
+PJ064281	SSTTTTKR 	C34H64N12O15	880.4614	NA	PeJP	NA	NA
+PJ064282	STKKMMR 	C35H68N12O10S2	880.4623	NA	PeJP	NA	NA
+PJ064283	GSSRRRY 	C35H60N16O11	880.4628	NA	PeJP	NA	NA
+PJ064284	LLMRYW 	C43H64N10O8S	880.463	NA	PeJP	NA	NA
+PJ064285	STLLERY 	C39H64N10O13	880.4655	NA	PeJP	NA	NA
+PJ064286	ALLMMFR 	C40H68N10O8S2	880.4663	NA	PeJP	NA	NA
+PJ064287	GPTKHRW 	C40H60N14O9	880.4668	NA	PeJP	NA	NA
+PJ064288	SSSTLKKM 	C36H68N10O13S	880.4688	NA	PeJP	NA	NA
+PJ064289	SSLLLYW 	C44H64N8O11	880.4695	NA	PeJP	NA	NA
+PJ064290	CLKKKMM 	C37H72N10O8S3	880.4697	NA	PeJP	NA	NA
+PJ064291	QKMRRY 	C37H64N14O9S	880.4702	NA	PeJP	NA	NA
+PJ064292	PKKHWW 	C45H60N12O7	880.4708	NA	PeJP	NA	NA
+PJ064293	VVLKEMY 	C41H68N8O11S	880.4729	NA	PeJP	NA	NA
+PJ064294	QEHRRR 	C34H60N18O10	880.474	NA	PeJP	NA	NA
+PJ064295	GTKKERY 	C38H64N12O12	880.4767	NA	PeJP	NA	NA
+PJ064296	VQHRRW 	C39H60N16O8	880.478	NA	PeJP	NA	NA
+PJ064297	GGLHRRW 	C39H60N16O8	880.4781	NA	PeJP	NA	NA
+PJ064298	KKKEYW 	C43H64N10O10	880.4807	NA	PeJP	NA	NA
+PJ064299	CKRRRY 	C36H64N16O8S	880.4814	NA	PeJP	NA	NA
+MJ096796	2,3,30-Trihydroxy-12-oleanen-28-oic acid, 2,3-Di-Ac, 28-O-[?-D-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C46H72O16	880.482036	NA	MeJP	NA	NA
+PJ064300	SVLLMRY 	C40H68N10O10S	880.4841	NA	PeJP	NA	NA
+PJ064301	GVLLFFW 	C48H64N8O8	880.4848	NA	PeJP	NA	NA
+PJ064302	TTTTTTKK 	C36H68N10O15	880.4866	NA	PeJP	NA	NA
+PJ064303	GTTKRRY 	C37H64N14O11	880.4879	NA	PeJP	NA	NA
+PJ064304	GGPPLERR 	C37H64N14O11	880.488	NA	PeJP	NA	NA
+PJ064305	PVLKMFF 	C45H68N8O8S	880.4881	NA	PeJP	NA	NA
+PJ064306	AHRRRW 	C38H60N18O7	880.4893	NA	PeJP	NA	NA
+PJ064307	GTTTLLLY 	C41H68N8O13	880.4906	NA	PeJP	NA	NA
+PJ064308	VLLKMMF 	C42H72N8O8S2	880.4915	NA	PeJP	NA	NA
+PJ064309	TKKRYW 	C42H64N12O9	880.492	NA	PeJP	NA	NA
+PJ064310	GVKKMRY 	C39H68N12O9S	880.4953	NA	PeJP	NA	NA
+PJ064311	LLFFRW 	C47H64N10O7	880.496	NA	PeJP	NA	NA
+PJ064312	APPERRR 	C36H64N16O10	880.4992	NA	PeJP	NA	NA
+PJ064313	SVKKKEY 	C40H68N10O12	880.5018	NA	PeJP	NA	NA
+PJ064314	GATTLKKY 	C40H68N10O12	880.5019	NA	PeJP	NA	NA
+PJ064315	GPPLRRW 	C41H64N14O8	880.5032	NA	PeJP	NA	NA
+PJ064316	PVVLKYY 	C45H68N8O10	880.5059	NA	PeJP	NA	NA
+PJ064317	KKMRRY 	C38H68N14O8S	880.5066	NA	PeJP	NA	NA
+PJ064318	TLLLKMY 	C42H72N8O10S	880.5092	NA	PeJP	NA	NA
+PJ064319	PPPTLLLM 	C42H72N8O10S	880.5093	NA	PeJP	NA	NA
+PJ064320	KEHRRR 	C35H64N18O9	880.5104	NA	PeJP	NA	NA
+PJ064321	SSLKKRY 	C39H68N12O11	880.5131	NA	PeJP	NA	NA
+PJ064322	VKHRRW 	C40H64N16O7	880.5144	NA	PeJP	NA	NA
+PJ064323	SLLLLHW 	C44H68N10O9	880.5171	NA	PeJP	NA	NA
+MJ096797	3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 28-O-?-D-xylofuranosyl ester 	C47H76O15	880.518421	NA	MeJP	NA	NA
+PJ064324	ALKKKMY 	C41H72N10O9S	880.5205	NA	PeJP	NA	NA
+PJ064325	THRRRR 	C34H64N20O8	880.5216	NA	PeJP	NA	NA
+PJ064326	PPVKERR 	C38H68N14O10	880.5243	NA	PeJP	NA	NA
+PJ064327	SPPLLLLE 	C42H72N8O12	880.527	NA	PeJP	NA	NA
+PJ064328	AVLKKHW 	C43H68N12O8	880.5283	NA	PeJP	NA	NA
+PJ064329	PPVVKRW 	C43H68N12O8	880.5284	NA	PeJP	NA	NA
+PJ064330	VLLLMHR 	C40H72N12O8S	880.5317	NA	PeJP	NA	NA
+PJ064331	SPPLRRR 	C37H68N16O9	880.5356	NA	PeJP	NA	NA
+MJ096798	4,4-Dimethyl-24,28-epoxyergosta-8,14-diene-2,3,11,12,25-pentol, 2-O-(16-Hydroxyhexadecanoyl), 12-Ac, 3-O-sulfate 	C48H80O12S	880.537048	NA	MeJP	NA	NA
+PJ064332	TTLKKKY 	C41H72N10O11	880.5382	NA	PeJP	NA	NA
+PJ064333	GPPLLKKE 	C41H72N10O11	880.5383	NA	PeJP	NA	NA
+PJ064334	KKFFRR 	C42H68N14O7	880.5396	NA	PeJP	NA	NA
+PJ064335	VVLLKFY 	C46H72N8O9	880.5423	NA	PeJP	NA	NA
+PJ064336	PPVVLLLM 	C43H76N8O9S	880.5456	NA	PeJP	NA	NA
+PJ064337	GPPTLLKR 	C40H72N12O10	880.5495	NA	PeJP	NA	NA
+PJ064338	PPLLKKW 	C45H72N10O8	880.5535	NA	PeJP	NA	NA
+MJ096799	Ritterazine A; 7',17'-Dideoxy 	C54H76N2O8	880.560167	NA	MeJP	NA	NA
+MJ096800	Ritterazine N 	C54H76N2O8	880.560167	NA	MeJP	NA	NA
+MJ096801	Ritterazine W 	C54H76N2O8	880.560167	NA	MeJP	NA	NA
+PJ064339	PVLLQRR 	C39H72N14O9	880.5607	NA	PeJP	NA	NA
+PJ064340	APLLLLLE 	C43H76N8O11	880.5634	NA	PeJP	NA	NA
+MJ096802	Huratoxin; 12?-Acetoxy, 20-hexadecanoyl 	C52H80O11	880.570063	NA	MeJP	NA	NA
+PJ064341	APLLRRR 	C38H72N16O8	880.5719	NA	PeJP	NA	NA
+PJ064342	PVVVRRR 	C38H72N16O8	880.572	NA	PeJP	NA	NA
+PJ064343	SPPVLLKK 	C42H76N10O10	880.5746	NA	PeJP	NA	NA
+PJ064344	AAPLLLKR 	C41H76N12O9	880.5859	NA	PeJP	NA	NA
+PJ064345	PVLLKRR 	C40H76N14O8	880.5971	NA	PeJP	NA	NA
+PJ064346	SPLLLLLL 	C44H80N8O10	880.5998	NA	PeJP	NA	NA
+PJ064347	GPLLLLKK 	C43H80N10O9	880.611	NA	PeJP	NA	NA
+PJ064348	ALLLLLLL 	C45H84N8O9	880.6362	NA	PeJP	NA	NA
+HMDB05385	TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.75201	http://www.hmdb.ca/metabolites/HMDB05385	HMDB	NA	NA
+HMDB05426	TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.75201	http://www.hmdb.ca/metabolites/HMDB05426	HMDB	NA	NA
+HMDB05461	TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C57H100O6	880.75201	http://www.hmdb.ca/metabolites/HMDB05461	HMDB	NA	NA
+HMDB05385	TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.75201	HMDB05385	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05426	TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.75201	HMDB05426	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05461	TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C57H100O6	880.75201	HMDB05461	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05385	TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB05426	TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB05461	TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB10441	TG(18:1(11Z)/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB10459	TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB10460	TG(18:1(9Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB10477	TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z))[iso6]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+HMDB10479	TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3]	C57H100O6	880.752014	NA	HMDB2010	NA	NA
+MJ096803	Iogulamide 	C20H26I3N3O12	880.865053	NA	MeJP	NA	NA
+C00527	Glutaryl-CoA	C26H42N7O19P3S	881.1469	NA	KEGG	NA	NA
+C18026	Ethylmalonyl-CoA	C26H42N7O19P3S	881.1469	NA	KEGG	NA	NA
+MJ096804	Glutaryl-CoA 	C26H42N7O19P3S	881.146902	NA	MeJP	NA	NA
+MetaCyc04236	glutaryl-CoA [glutaryl-coenzyme A;]	C26H42N7O19P3S1	881.146902	NA	metacyc	NA	NA
+HMDB01339	Glutaryl-CoA	C26H42N7O19P3S	881.14691	http://www.hmdb.ca/metabolites/HMDB01339	HMDB	NA	NA
+HMDB01339	Glutaryl-CoA	C26H42N7O19P3S	881.14691	HMDB01339	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01339	Glutaryl-CoA	C26H42N7O19P3S	881.146912	NA	HMDB2010	NA	NA
+PJ064349	CCCCCCNM 	C27H47N9O10S7	881.1491	NA	PeJP	NA	NA
+PJ064350	GSTCCCCCC 	C27H47N9O12S6	881.1669	NA	PeJP	NA	NA
+MetaCyc04237	3-hydroxyhexanoyl-CoA [(S)-3-Hydroxyhexanoyl-CoA;OH-hexanoyl-CoA;3-OH-hexanoyl-CoA;]	C27H46N7O18P3S1	881.183288	5060-32-2	metacyc	NA	NA
+HMDB03942	(S)-Hydroxyhexanoyl-CoA	C27H46N7O18P3S	881.183289	NA	HMDB2010	NA	NA
+HMDB03942	(S)-Hydroxyhexanoyl-CoA	C27H46N7O18P3S	881.18329	http://www.hmdb.ca/metabolites/HMDB03942	HMDB	NA	NA
+HMDB03942	(S)-Hydroxyhexanoyl-CoA	C27H46N7O18P3S	881.18329	HMDB03942	PFEM_hmdb_metabocards_official	NA	NA
+C05268	(S)-Hydroxyhexanoyl-CoA	C27H46N7O18P3S	881.1833	NA	KEGG	NA	NA
+PJ064351	SSSSCCCCC 	C27H47N9O14S5	881.1846	NA	PeJP	NA	NA
+PJ064352	GCCCCCQY 	C31H47N9O11S5	881.1999	NA	PeJP	NA	NA
+PJ064353	PCCCCCNH 	C30H47N11O10S5	881.2111	NA	PeJP	NA	NA
+PJ064354	SSCCCCNY 	C31H47N9O13S4	881.2176	NA	PeJP	NA	NA
+PJ064355	GGSSCCCCY 	C31H47N9O13S4	881.2177	NA	PeJP	NA	NA
+PJ064356	CCCEMMY 	C33H51N7O11S5	881.225	NA	PeJP	NA	NA
+PJ064357	GCCCNDMH 	C30H47N11O12S4	881.2289	NA	PeJP	NA	NA
+PJ064358	GCNDDDDE 	C30H43N9O20S	881.2345	NA	PeJP	NA	NA
+PJ064359	GGGCDDDDE 	C30H43N9O20S	881.2346	NA	PeJP	NA	NA
+PJ064360	GCCCCCKY 	C32H51N9O10S5	881.2363	NA	PeJP	NA	NA
+PJ064361	CCCDEFY 	C36H47N7O13S3	881.2394	NA	PeJP	NA	NA
+PJ064362	CCCCQHW 	C34H47N11O9S4	881.2441	NA	PeJP	NA	NA
+PJ064363	GACCCCHW 	C34H47N11O9S4	881.2442	NA	PeJP	NA	NA
+PJ064364	SSCCCNEH 	C30H47N11O14S3	881.2466	NA	PeJP	NA	NA
+PJ064365	GGSSCCCEH 	C30H47N11O14S3	881.2467	NA	PeJP	NA	NA
+PJ064366	CNDDDDW 	C34H43N9O17S	881.2498	NA	PeJP	NA	NA
+PJ064367	CCCNNYY 	C35H47N9O12S3	881.2507	NA	PeJP	NA	NA
+PJ064368	SSNDDDDD 	C30H43N9O22	881.2523	NA	PeJP	NA	NA
+PJ064369	SPCCNDDE 	C31H47N9O17S2	881.2532	NA	PeJP	NA	NA
+PJ064370	CDDMMMH 	C32H51N9O12S4	881.254	NA	PeJP	NA	NA
+PJ064371	GGPPCCCDM 	C32H51N9O12S4	881.2541	NA	PeJP	NA	NA
+PJ064372	SCCDEYY 	C36H47N7O15S2	881.2572	NA	PeJP	NA	NA
+PJ064373	PCCCMYY 	C37H51N7O10S4	881.2581	NA	PeJP	NA	NA
+PJ064374	DDDEEEM 	C32H47N7O20S	881.2597	NA	PeJP	NA	NA
+PJ064375	TCCMMMY 	C34H55N7O10S5	881.2614	NA	PeJP	NA	NA
+PJ064376	GSSCCCHW 	C34H47N11O11S3	881.2619	NA	PeJP	NA	NA
+PJ064377	GSSSSCCDH 	C30H47N11O16S2	881.2644	NA	PeJP	NA	NA
+PJ064378	GSCCNMMH 	C31H51N11O11S4	881.2653	NA	PeJP	NA	NA
+PJ064379	GSPCCDDW 	C35H47N9O14S2	881.2684	NA	PeJP	NA	NA
+PJ064380	APPCCCCW 	C36H51N9O9S4	881.2693	NA	PeJP	NA	NA
+PJ064381	GSNDDDEM 	C31H47N9O19S	881.2709	NA	PeJP	NA	NA
+PJ064382	GPCNDDMM 	C32H51N9O14S3	881.2718	NA	PeJP	NA	NA
+PJ064383	CCDMHHH 	C33H47N13O10S3	881.2731	NA	PeJP	NA	NA
+PJ064384	SCCNNNNN 	C29H47N13O15S2	881.2756	NA	PeJP	NA	NA
+PJ064385	GGGGGGSCCNN 	C29H47N13O15S2	881.2757	NA	PeJP	NA	NA
+PJ064386	GCDMMYY 	C37H51N7O12S3	881.2758	NA	PeJP	NA	NA
+PJ064387	GTCCCCHR 	C30H51N13O10S4	881.2765	NA	PeJP	NA	NA
+PJ064388	DDDDEHH 	C33H43N11O18	881.2788	NA	PeJP	NA	NA
+PJ064389	CCNNNEW 	C34H47N11O13S2	881.2797	NA	PeJP	NA	NA
+PJ064390	CCCCKHW 	C35H51N11O8S4	881.2805	NA	PeJP	NA	NA
+PJ064391	GSCDDDDR 	C30H47N11O18S	881.2822	NA	PeJP	NA	NA
+PJ064392	GPCCCDER 	C31H51N11O13S3	881.283	NA	PeJP	NA	NA
+PJ064393	GGGGGGSPCCM 	C31H51N11O13S3	881.2831	NA	PeJP	NA	NA
+PJ064394	SNDDDMW 	C35H47N9O16S	881.2862	NA	PeJP	NA	NA
+PJ064395	PCCNEMW 	C36H51N9O11S3	881.2871	NA	PeJP	NA	NA
+PJ064396	SSSNDDEE 	C31H47N9O21	881.2887	NA	PeJP	NA	NA
+PJ064397	SSSSPPCCD 	C32H51N9O16S2	881.2895	NA	PeJP	NA	NA
+PJ064398	NNDEEMM 	C32H51N9O16S2	881.2896	NA	PeJP	NA	NA
+PJ064399	GCDDFYY 	C40H47N7O14S	881.2902	NA	PeJP	NA	NA
+PJ064400	SDMMMMH 	C33H55N9O11S4	881.2904	NA	PeJP	NA	NA
+PJ064401	GPCCNDHH 	C33H47N13O12S2	881.2909	NA	PeJP	NA	NA
+PJ064402	PCCCFFY 	C41H51N7O9S3	881.2911	NA	PeJP	NA	NA
+PJ064403	PDDDEEY 	C36H47N7O19	881.2927	NA	PeJP	NA	NA
+PJ064404	SSCEMYY 	C37H51N7O14S2	881.2936	NA	PeJP	NA	NA
+PJ064405	SSSCCCHR 	C30H51N13O12S3	881.2943	NA	PeJP	NA	NA
+PJ064406	GCMMMFY 	C38H55N7O9S4	881.2944	NA	PeJP	NA	NA
+PJ064407	GCCNNWW 	C38H47N11O10S2	881.2949	NA	PeJP	NA	NA
+PJ064408	SEEEEEM 	C33H51N7O19S	881.2961	NA	PeJP	NA	NA
+PJ064409	PDEEMMM 	C34H55N7O14S3	881.297	NA	PeJP	NA	NA
+PJ064410	GSSCNNDW 	C34H47N11O15S	881.2974	NA	PeJP	NA	NA
+PJ064411	PCCCDRW 	C35H51N11O10S3	881.2983	NA	PeJP	NA	NA
+PJ064412	GSSSSNNDD 	C30H47N11O20	881.2999	NA	PeJP	NA	NA
+PJ064413	CNDDEMR 	C31H51N11O15S2	881.3008	NA	PeJP	NA	NA
+PJ064414	GSCDEWW 	C39H47N9O13S	881.3014	NA	PeJP	NA	NA
+PJ064415	PPTCCCCR 	C32H55N11O10S4	881.3017	NA	PeJP	NA	NA
+PJ064416	GPCCMWW 	C40H51N9O8S3	881.3023	NA	PeJP	NA	NA
+PJ064417	GSSSDDEW 	C35H47N9O18	881.3039	NA	PeJP	NA	NA
+PJ064418	GGGSPDDDY 	C35H47N9O18	881.304	NA	PeJP	NA	NA
+PJ064419	GNDEMMW 	C36H51N9O13S2	881.3048	NA	PeJP	NA	NA
+PJ064420	GSSNEEEM 	C32H51N9O18S	881.3073	NA	PeJP	NA	NA
+PJ064421	GSDDYYY 	C40H47N7O16	881.308	NA	PeJP	NA	NA
+PJ064422	GSPNDMMM 	C33H55N9O13S3	881.3082	NA	PeJP	NA	NA
+PJ064423	NNDDMHH 	C33H47N13O14S	881.3087	NA	PeJP	NA	NA
+PJ064424	APCCYYY 	C41H51N7O11S2	881.3088	NA	PeJP	NA	NA
+PJ064425	AMMMMMH 	C34H59N9O8S5	881.3091	NA	PeJP	NA	NA
+PJ064426	CCCNHFR 	C34H51N13O9S3	881.3095	NA	PeJP	NA	NA
+PJ064427	PDDEEMF 	C37H51N7O16S	881.3113	NA	PeJP	NA	NA
+PJ064428	CCDDDRR 	C30H51N13O14S2	881.312	NA	PeJP	NA	NA
+PJ064429	GSMMMYY 	C38H55N7O11S3	881.3122	NA	PeJP	NA	NA
+PJ064430	VDEEEMM 	C34H55N7O16S2	881.3147	NA	PeJP	NA	NA
+PJ064431	NNNNDEY 	C34H47N11O17	881.3152	NA	PeJP	NA	NA
+PJ064432	GCDDMRW 	C35H51N11O12S2	881.316	NA	PeJP	NA	NA
+PJ064433	GGGGSCQMW 	C35H51N11O12S2	881.3161	NA	PeJP	NA	NA
+PJ064434	SCDWWW 	C43H47N9O10S	881.3167	NA	PeJP	NA	NA
+PJ064435	ASSCDDER 	C31H51N11O17S	881.3185	NA	PeJP	NA	NA
+PJ064436	GSSDDDMR 	C31H51N11O17S	881.3186	NA	PeJP	NA	NA
+PJ064437	SSSDDWW 	C39H47N9O15	881.3192	NA	PeJP	NA	NA
+PJ064438	GSPCCEMR 	C32H55N11O12S3	881.3194	NA	PeJP	NA	NA
+PJ064439	GSCNNNHH 	C32H47N15O13S	881.3199	NA	PeJP	NA	NA
+PJ064440	NDMMWW 	C40H51N9O10S2	881.3201	NA	PeJP	NA	NA
+PJ064441	SSNEEMW 	C36H51N9O15S	881.3226	NA	PeJP	NA	NA
+PJ064442	SPCQMMW 	C37H55N9O10S3	881.3234	NA	PeJP	NA	NA
+PJ064443	GGAPPCCMF 	C37H55N9O10S3	881.3235	NA	PeJP	NA	NA
+PJ064444	GCNEHHW 	C37H47N13O11S	881.3239	NA	PeJP	NA	NA
+PJ064445	SSSSQEEE 	C32H51N9O20	881.3251	NA	PeJP	NA	NA
+PJ064446	SQQEEMM 	C33H55N9O15S2	881.3259	NA	PeJP	NA	NA
+PJ064447	GGGATEEMM 	C33H55N9O15S2	881.326	NA	PeJP	NA	NA
+PJ064448	GSSNDEHH 	C33H47N13O16	881.3264	NA	PeJP	NA	NA
+PJ064449	NEMYYY 	C41H51N7O13S	881.3266	NA	PeJP	NA	NA
+PJ064450	TTMMMMH 	C34H59N9O10S4	881.3268	NA	PeJP	NA	NA
+PJ064451	SCCNNRW 	C34H51N13O11S2	881.3273	NA	PeJP	NA	NA
+PJ064452	GCMMFFF 	C42H55N7O8S3	881.3275	NA	PeJP	NA	NA
+PJ064453	SPEEEEY 	C37H51N7O18	881.3291	NA	PeJP	NA	NA
+PJ064454	SSSCNNDR 	C30H51N13O16S	881.3298	NA	PeJP	NA	NA
+PJ064455	SSTMMYY 	C38H55N7O13S2	881.3299	NA	PeJP	NA	NA
+PJ064456	PPDEMMY 	C38H55N7O13S2	881.33	NA	PeJP	NA	NA
+PJ064457	GNNNDYW 	C38H47N11O14	881.3304	NA	PeJP	NA	NA
+PJ064458	GGGGGGGDYW 	C38H47N11O14	881.3305	NA	PeJP	NA	NA
+PJ064459	CNNNMMR 	C31H55N13O11S3	881.3306	NA	PeJP	NA	NA
+PJ064460	GGCNNMMR 	C31H55N13O11S3	881.3307	NA	PeJP	NA	NA
+PJ064461	CCERWW 	C39H51N11O9S2	881.3313	NA	PeJP	NA	NA
+PJ064462	SSCDERW 	C35H51N11O14S	881.3338	NA	PeJP	NA	NA
+PJ064463	NDDFWW 	C43H47N9O12	881.3345	NA	PeJP	NA	NA
+PJ064464	SPCCMRW 	C36H55N11O9S3	881.3347	NA	PeJP	NA	NA
+PJ064465	PCDHHHH 	C36H47N15O10S	881.3352	NA	PeJP	NA	NA
+PJ064466	ACMWWW 	C44H51N9O7S2	881.3353	NA	PeJP	NA	NA
+PJ064467	SSSSDDER 	C31H51N11O19	881.3363	NA	PeJP	NA	NA
+PJ064468	SNDEMMR 	C32H55N11O14S2	881.3372	NA	PeJP	NA	NA
+PJ064469	GSSEMWW 	C40H51N9O12S	881.3378	NA	PeJP	NA	NA
+PJ064470	PCNMMMR 	C33H59N11O9S4	881.338	NA	PeJP	NA	NA
+PJ064471	GGPCMMMR 	C33H59N11O9S4	881.3381	NA	PeJP	NA	NA
+PJ064472	MMMHFW 	C41H55N9O7S3	881.3387	NA	PeJP	NA	NA
+PJ064473	CNHHWW 	C41H47N13O8S	881.3392	NA	PeJP	NA	NA
+PJ064474	GSSSTEEW 	C36H51N9O17	881.3403	NA	PeJP	NA	NA
+PJ064475	GTQEMMW 	C37H55N9O12S2	881.3412	NA	PeJP	NA	NA
+PJ064476	SSNDHHW 	C37H47N13O13	881.3417	NA	PeJP	NA	NA
+PJ064477	GMYYYW 	C45H51N7O10S	881.3418	NA	PeJP	NA	NA
+PJ064478	CCCNQRR 	C30H55N15O10S3	881.3419	NA	PeJP	NA	NA
+PJ064479	ACMHHHF 	C38H51N13O8S2	881.3425	NA	PeJP	NA	NA
+PJ064480	GSSDKEEM 	C33H55N9O17S	881.3437	NA	PeJP	NA	NA
+PJ064481	GSTEYYY 	C41H51N7O15	881.3443	NA	PeJP	NA	NA
+PJ064482	PPDDEFY 	C41H51N7O15	881.3444	NA	PeJP	NA	NA
+PJ064483	VNQEMMM 	C34H59N9O12S3	881.3446	NA	PeJP	NA	NA
+PJ064484	CNNNDFR 	C34H51N13O13S	881.345	NA	PeJP	NA	NA
+PJ064485	GGGGCNDFR 	C34H51N13O13S	881.3451	NA	PeJP	NA	NA
+PJ064486	QMMFYY 	C42H55N7O10S2	881.3452	NA	PeJP	NA	NA
+PJ064487	PVDEEMY 	C38H55N7O15S	881.3477	NA	PeJP	NA	NA
+PJ064488	SCDDMRR 	C31H55N13O13S2	881.3484	NA	PeJP	NA	NA
+PJ064489	PPEMMMF 	C39H59N7O10S3	881.3486	NA	PeJP	NA	NA
+PJ064490	GNNNMFW 	C39H51N11O11S	881.3491	NA	PeJP	NA	NA
+PJ064491	TLEEEMM 	C35H59N7O15S2	881.3511	NA	PeJP	NA	NA
+PJ064492	SSSSSNQW 	C35H51N11O16	881.3515	NA	PeJP	NA	NA
+PJ064493	GGSSSSSQW 	C35H51N11O16	881.3516	NA	PeJP	NA	NA
+PJ064494	PLEMMMM 	C36H63N7O10S4	881.352	NA	PeJP	NA	NA
+PJ064495	GSDMMRW 	C36H55N11O11S2	881.3524	NA	PeJP	NA	NA
+PJ064496	GGGGGPCCKF 	C36H55N11O11S2	881.3525	NA	PeJP	NA	NA
+PJ064497	GEEHHHH 	C36H47N15O12	881.3529	NA	PeJP	NA	NA
+PJ064498	SSMWWW 	C44H51N9O9S	881.3531	NA	PeJP	NA	NA
+PJ064499	GSSSEEMR 	C32H55N11O16S	881.3549	NA	PeJP	NA	NA
+PJ064500	SSSTEWW 	C40H51N9O14	881.3556	NA	PeJP	NA	NA
+PJ064501	GQEMMMR 	C33H59N11O11S3	881.3558	NA	PeJP	NA	NA
+PJ064502	SCNEHHR 	C33H51N15O12S	881.3563	NA	PeJP	NA	NA
+PJ064503	TQMMWW 	C41H55N9O9S2	881.3564	NA	PeJP	NA	NA
+PJ064504	GATMMWW 	C41H55N9O9S2	881.3565	NA	PeJP	NA	NA
+MJ096805	Liposidomycin; Liposidomycin Y-I, 5,6,8,9-Tetrahydro, 3-deacyl 	C36H59N5O18S	881.35758	NA	MeJP	NA	NA
+PJ064505	STTQEMW 	C37H55N9O14S	881.3589	NA	PeJP	NA	NA
+PJ064506	SSDKEMW 	C37H55N9O14S	881.359	NA	PeJP	NA	NA
+PJ064507	STYYYW 	C45H51N7O12	881.3596	NA	PeJP	NA	NA
+PJ064508	GGGSSCCRR 	C30H55N15O12S2	881.3597	NA	PeJP	NA	NA
+PJ064509	GVQMMMW 	C38H59N9O9S3	881.3598	NA	PeJP	NA	NA
+PJ064510	GSQMHHW 	C38H51N13O10S	881.3603	NA	PeJP	NA	NA
+PJ064511	SSSSKEEE 	C33H55N9O19	881.3614	NA	PeJP	NA	NA
+PJ064512	SSSTDKEE 	C33H55N9O19	881.3615	NA	PeJP	NA	NA
+PJ064513	SQKEEMM 	C34H59N9O14S2	881.3623	NA	PeJP	NA	NA
+PJ064514	SNNNDRY 	C34H51N13O15	881.3628	NA	PeJP	NA	NA
+PJ064515	DKMYYY 	C42H55N7O12S	881.363	NA	PeJP	NA	NA
+PJ064516	PNKMMMM 	C35H63N9O9S4	881.3632	NA	PeJP	NA	NA
+PJ064517	AQQMMHH 	C35H55N13O10S2	881.3637	NA	PeJP	NA	NA
+PJ064518	SNNHHHH 	C35H47N17O11	881.3641	NA	PeJP	NA	NA
+PJ064519	GGGGSHHHH 	C35H47N17O11	881.3642	NA	PeJP	NA	NA
+PJ064520	GPPCHWW 	C43H51N11O8S	881.3643	NA	PeJP	NA	NA
+PJ064521	ALEEEEY 	C38H55N7O17	881.3655	NA	PeJP	NA	NA
+PJ064522	SSSSNNMR 	C31H55N13O15S	881.3662	NA	PeJP	NA	NA
+PJ064523	PVEEMMF 	C39H59N7O12S2	881.3663	NA	PeJP	NA	NA
+PJ064524	NDERYW 	C39H51N11O13	881.3668	NA	PeJP	NA	NA
+PJ064525	GCEMMRR 	C32H59N13O10S3	881.367	NA	PeJP	NA	NA
+PJ064526	GGGACCKMR 	C32H59N13O10S3	881.3671	NA	PeJP	NA	NA
+PJ064527	TCMRWW 	C40H55N11O8S2	881.3677	NA	PeJP	NA	NA
+PJ064528	EHHHHW 	C40H47N15O9	881.3682	NA	PeJP	NA	NA
+PJ064529	VLEEMMM 	C36H63N7O12S3	881.3697	NA	PeJP	NA	NA
+PJ064530	SSSEMRW 	C36H55N11O13S	881.3702	NA	PeJP	NA	NA
+PJ064531	AQEYWW 	C44H51N9O11	881.3708	NA	PeJP	NA	NA
+PJ064532	GGGPDFFW 	C44H51N9O11	881.3709	NA	PeJP	NA	NA
+PJ064533	QMMMRW 	C37H59N11O8S3	881.3711	NA	PeJP	NA	NA
+PJ064534	GSCHHRW 	C37H51N15O9S	881.3715	NA	PeJP	NA	NA
+PJ064535	SSSSTEER 	C32H55N11O18	881.3727	NA	PeJP	NA	NA
+PJ064536	STQEMMR 	C33H59N11O13S2	881.3736	NA	PeJP	NA	NA
+PJ064537	GSSSDHHR 	C33H51N15O14	881.374	NA	PeJP	NA	NA
+PJ064538	GGGGGGGAQQH 	C33H51N15O14	881.3741	NA	PeJP	NA	NA
+MJ096806	Callatostatin 5 	C41H55N9O11S	881.374174	NA	MeJP	NA	NA
+PJ064539	GTTTMWW 	C41H55N9O11S	881.3742	NA	PeJP	NA	NA
+PJ064540	GFFYYW 	C49H51N7O9	881.3749	NA	PeJP	NA	NA
+PJ064541	SSSSSLEW 	C37H55N9O16	881.3767	NA	PeJP	NA	NA
+PJ064542	GTKEMMW 	C38H59N9O11S2	881.3776	NA	PeJP	NA	NA
+PJ064543	SSTQHHW 	C38H51N13O12	881.378	NA	PeJP	NA	NA
+PJ064544	GPDDHRW 	C38H51N13O12	881.3781	NA	PeJP	NA	NA
+PJ064545	QMFFFY 	C46H55N7O9S	881.3782	NA	PeJP	NA	NA
+PJ064546	CCCNKRR 	C31H59N15O9S3	881.3783	NA	PeJP	NA	NA
+PJ064547	GSTTKEEM 	C34H59N9O16S	881.3801	NA	PeJP	NA	NA
+PJ064548	SSSLYYY 	C42H55N7O14	881.3807	NA	PeJP	NA	NA
+PJ064549	ASSPKMMM 	C35H63N9O11S3	881.3809	NA	PeJP	NA	NA
+PJ064550	VNKEMMM 	C35H63N9O11S3	881.381	NA	PeJP	NA	NA
+PJ064551	GNNQMRY 	C35H55N13O12S	881.3814	NA	PeJP	NA	NA
+PJ064552	GGGGGGGPVMH 	C35H55N13O12S	881.3815	NA	PeJP	NA	NA
+PJ064553	KMMFYY 	C43H59N7O9S2	881.3816	NA	PeJP	NA	NA
+PJ064554	GDRYWW 	C43H51N11O10	881.3821	NA	PeJP	NA	NA
+PJ064555	CMMRRW 	C36H59N13O7S3	881.3823	NA	PeJP	NA	NA
+PJ064556	GSSSSSSQR 	C31H55N13O17	881.3839	NA	PeJP	NA	NA
+PJ064557	PTLEEMY 	C39H59N7O14S	881.3841	NA	PeJP	NA	NA
+PJ064558	SSDMMRR 	C32H59N13O12S2	881.3848	NA	PeJP	NA	NA
+PJ064559	PPLMMMY 	C40H63N7O9S3	881.385	NA	PeJP	NA	NA
+PJ064560	NNNNNHR 	C32H51N17O13	881.3853	NA	PeJP	NA	NA
+PJ064561	GPTCRYW 	C40H55N11O10S	881.3854	NA	PeJP	NA	NA
+PJ064562	GGEMFRW 	C40H55N11O10S	881.3855	NA	PeJP	NA	NA
+PJ064563	AAYWWW 	C48H51N9O8	881.3861	NA	PeJP	NA	NA
+PJ064564	SSSSSNKW 	C36H55N11O15	881.3879	NA	PeJP	NA	NA
+PJ064565	GGATEERY 	C36H55N11O15	881.388	NA	PeJP	NA	NA
+PJ064566	GTTMMRW 	C37H59N11O10S2	881.3888	NA	PeJP	NA	NA
+PJ064567	GNDHHFR 	C37H51N15O11	881.3893	NA	PeJP	NA	NA
+PJ064568	PCKYWW 	C45H55N9O8S	881.3895	NA	PeJP	NA	NA
+PJ064569	GSTTTEMR 	C33H59N11O15S	881.3913	NA	PeJP	NA	NA
+PJ064570	STTTTWW 	C41H55N9O13	881.392	NA	PeJP	NA	NA
+PJ064571	GKEMMMR 	C34H63N11O10S3	881.3922	NA	PeJP	NA	NA
+PJ064572	SSQMHHR 	C34H55N15O11S	881.3926	NA	PeJP	NA	NA
+PJ064573	GCNNRRY 	C34H55N15O11S	881.3927	NA	PeJP	NA	NA
+PJ064574	TKMMWW 	C42H59N9O8S2	881.3928	NA	PeJP	NA	NA
+PJ064575	QQHHFW 	C42H51N13O9	881.3933	NA	PeJP	NA	NA
+PJ064576	STTKEMW 	C38H59N9O13S	881.3953	NA	PeJP	NA	NA
+PJ064577	GGGGVLEMY 	C38H59N9O13S	881.3954	NA	PeJP	NA	NA
+MJ096807	Enopeptin A; 4-De-Me 	C46H55N7O11	881.395955	NA	MeJP	NA	NA
+PJ064578	VQFYYY 	C46H55N7O11	881.396	NA	PeJP	NA	NA
+PJ064579	GVKMMMW 	C39H63N9O8S3	881.3962	NA	PeJP	NA	NA
+PJ064580	CDFRRW 	C39H55N13O9S	881.3967	NA	PeJP	NA	NA
+PJ064581	APHWWW 	C47H51N11O7	881.3973	NA	PeJP	NA	NA
+PJ064582	SSTTTKEE 	C34H59N9O18	881.3978	NA	PeJP	NA	NA
+PJ064583	SKKEEMM 	C35H63N9O13S2	881.3987	NA	PeJP	NA	NA
+PJ064584	GSDERRY 	C35H55N13O14	881.3992	NA	PeJP	NA	NA
+PJ064585	PPVEMFY 	C43H59N7O11S	881.3994	NA	PeJP	NA	NA
+PJ064586	PTCCFRR 	C36H59N13O9S2	881.4	NA	PeJP	NA	NA
+PJ064587	GPCMRRY 	C36H59N13O9S2	881.4001	NA	PeJP	NA	NA
+PJ064588	GMFRWW 	C44H55N11O7S	881.4007	NA	PeJP	NA	NA
+PJ064589	SLLEEEY 	C39H59N7O16	881.4019	NA	PeJP	NA	NA
+PJ064590	SSSSCQKR 	C32H59N13O14S	881.4025	NA	PeJP	NA	NA
+PJ064591	PVLEMMY 	C40H63N7O11S2	881.4027	NA	PeJP	NA	NA
+PJ064592	TQERYW 	C40H55N11O12	881.4032	NA	PeJP	NA	NA
+PJ064593	GTMMMRR 	C33H63N13O9S3	881.4034	NA	PeJP	NA	NA
+PJ064594	SSCHHRR 	C33H55N17O10S	881.4039	NA	PeJP	NA	NA
+PJ064595	APHHHHF 	C41H51N15O8	881.4045	NA	PeJP	NA	NA
+PJ064596	STTTMRW 	C37H59N11O12S	881.4066	NA	PeJP	NA	NA
+PJ064597	AKEYWW 	C45H55N9O10	881.4072	NA	PeJP	NA	NA
+PJ064598	KMMMRW 	C38H63N11O7S3	881.4074	NA	PeJP	NA	NA
+PJ064599	ALMHHHH 	C38H55N15O8S	881.4079	NA	PeJP	NA	NA
+PJ064600	SSTTTTER 	C33H59N11O17	881.4091	NA	PeJP	NA	NA
+PJ064601	STKEMMR 	C34H63N11O12S2	881.4099	NA	PeJP	NA	NA
+PJ064602	GGGSSKKMM 	C34H63N11O12S2	881.41	NA	PeJP	NA	NA
+PJ064603	SPDDHRR 	C34H55N15O13	881.4104	NA	PeJP	NA	NA
+PJ064604	GGGGGGGGGPPR 	C34H55N15O13	881.4105	NA	PeJP	NA	NA
+PJ064605	GPTKMYW 	C42H59N9O10S	881.4106	NA	PeJP	NA	NA
+PJ064606	QFFFFF 	C50H55N7O8	881.4112	NA	PeJP	NA	NA
+PJ064607	ACKMHHR 	C35H59N15O8S2	881.4113	NA	PeJP	NA	NA
+PJ064608	SSSTTTLW 	C38H59N9O15	881.4131	NA	PeJP	NA	NA
+PJ064609	SSLKMMW 	C39H63N9O10S2	881.414	NA	PeJP	NA	NA
+PJ064610	SDRRYW 	C39H55N13O11	881.4144	NA	PeJP	NA	NA
+PJ064611	GGGGSPKHW 	C39H55N13O11	881.4145	NA	PeJP	NA	NA
+PJ064612	KMFFFY 	C47H59N7O8S	881.4146	NA	PeJP	NA	NA
+PJ064613	SSSTLKEM 	C35H63N9O15S	881.4165	NA	PeJP	NA	NA
+PJ064614	PPTLEYY 	C43H59N7O13	881.4171	NA	PeJP	NA	NA
+PJ064615	VDKKMMM 	C36H67N9O10S3	881.4173	NA	PeJP	NA	NA
+PJ064616	QEMRRY 	C36H59N13O11S	881.4178	NA	PeJP	NA	NA
+PJ064617	PPLMMFF 	C44H63N7O8S2	881.418	NA	PeJP	NA	NA
+PJ064618	ATRYWW 	C44H55N11O9	881.4184	NA	PeJP	NA	NA
+PJ064619	STFRWW 	C44H55N11O9	881.4185	NA	PeJP	NA	NA
+PJ064620	GSSSSSSKR 	C32H59N13O16	881.4203	NA	PeJP	NA	NA
+PJ064621	VVLEEMY 	C40H63N7O13S	881.4205	NA	PeJP	NA	NA
+PJ064622	STTMMRR 	C33H63N13O11S2	881.4212	NA	PeJP	NA	NA
+PJ064623	PLLMMMF 	C41H67N7O8S3	881.4214	NA	PeJP	NA	NA
+PJ064624	ANNDHRR 	C33H55N17O12	881.4216	NA	PeJP	NA	NA
+PJ064625	GNNEHRR 	C33H55N17O12	881.4217	NA	PeJP	NA	NA
+PJ064626	VQMRYW 	C41H59N11O9S	881.4218	NA	PeJP	NA	NA
+PJ064627	VHFFFW 	C49H55N9O7	881.4225	NA	PeJP	NA	NA
+PJ064628	GTKEERY 	C37H59N11O14	881.4243	NA	PeJP	NA	NA
+PJ064629	GGGALLEEH 	C37H59N11O14	881.4244	NA	PeJP	NA	NA
+PJ064630	LLLMMMM 	C38H71N7O8S4	881.4247	NA	PeJP	NA	NA
+PJ064631	SCCKKKW 	C38H63N11O9S2	881.4252	NA	PeJP	NA	NA
+PJ064632	QQQHRW 	C38H55N15O10	881.4257	NA	PeJP	NA	NA
+PJ064633	CLKFWW 	C46H59N9O7S	881.4259	NA	PeJP	NA	NA
+PJ064634	SSSTTLMR 	C34H63N11O14S	881.4277	NA	PeJP	NA	NA
+PJ064635	SPTTKYW 	C42H59N9O12	881.4283	NA	PeJP	NA	NA
+PJ064636	KKEEYW 	C42H59N9O12	881.4284	NA	PeJP	NA	NA
+PJ064637	SVKMMMR 	C35H67N11O9S3	881.4286	NA	PeJP	NA	NA
+PJ064638	CERRRY 	C35H59N15O10S	881.429	NA	PeJP	NA	NA
+PJ064639	GPEMHRR 	C35H59N15O10S	881.4291	NA	PeJP	NA	NA
+PJ064640	PTHRWW 	C43H55N13O8	881.4297	NA	PeJP	NA	NA
+PJ064641	SPKKEMY 	C39H63N9O12S	881.4317	NA	PeJP	NA	NA
+PJ064642	VKFYYY 	C47H59N7O10	881.4324	NA	PeJP	NA	NA
+PJ064643	AMRRYW 	C40H59N13O8S	881.4331	NA	PeJP	NA	NA
+PJ064644	TTTTTTKE 	C35H63N9O17	881.4342	NA	PeJP	NA	NA
+PJ064645	GTTTLKMM 	C36H67N9O12S2	881.4351	NA	PeJP	NA	NA
+MJ096808	Pheganomycin DR 	C36H59N13O13	881.435529	NA	MeJP	NA	NA
+PJ064646	GTTERRY 	C36H59N13O13	881.4356	NA	PeJP	NA	NA
+PJ064647	PPVLMYY 	C44H63N7O10S	881.4357	NA	PeJP	NA	NA
+PJ064648	PVLEMFF 	C44H63N7O10S	881.4358	NA	PeJP	NA	NA
+PJ064649	AAMMFRR 	C37H63N13O8S2	881.4364	NA	PeJP	NA	NA
+PJ064650	NNHRRW 	C37H55N17O9	881.4369	NA	PeJP	NA	NA
+PJ064651	SSSSCKKR 	C33H63N13O13S	881.4389	NA	PeJP	NA	NA
+PJ064652	VLLEMMF 	C41H67N7O10S2	881.4391	NA	PeJP	NA	NA
+PJ064653	TKERYW 	C41H59N11O11	881.4396	NA	PeJP	NA	NA
+PJ064654	SPTKMRY 	C38H63N11O11S	881.4429	NA	PeJP	NA	NA
+PJ064655	GVKEMRY 	C38H63N11O11S	881.443	NA	PeJP	NA	NA
+PJ064656	SLKYWW 	C46H59N9O9	881.4436	NA	PeJP	NA	NA
+PJ064657	PMHRRW 	C39H59N15O7S	881.4443	NA	PeJP	NA	NA
+PJ064658	TTTTTTTR 	C34H63N11O16	881.4454	NA	PeJP	NA	NA
+PJ064659	GSSSSTTKK 	C34H63N11O16	881.4455	NA	PeJP	NA	NA
+PJ064660	GSTCKKKM 	C35H67N11O11S2	881.4463	NA	PeJP	NA	NA
+PJ064661	GVEEHRR 	C35H59N15O12	881.4468	NA	PeJP	NA	NA
+PJ064662	AALKMYW 	C43H63N9O9S	881.447	NA	PeJP	NA	NA
+PJ064663	KFFFFF 	C51H59N7O7	881.4476	NA	PeJP	NA	NA
+PJ064664	SVKKEEY 	C39H63N9O14	881.4495	NA	PeJP	NA	NA
+PJ064665	VVQKMMF 	C40H67N9O9S2	881.4503	NA	PeJP	NA	NA
+PJ064666	PCLKKMY 	C40H67N9O9S2	881.4504	NA	PeJP	NA	NA
+PJ064667	TTRRYW 	C40H59N13O10	881.4508	NA	PeJP	NA	NA
+PJ064668	STTTTLKM 	C36H67N9O14S	881.4528	NA	PeJP	NA	NA
+PJ064669	PVVLEYY 	C44H63N7O12	881.4535	NA	PeJP	NA	NA
+PJ064670	TLKKMMM 	C37H71N9O9S3	881.4537	NA	PeJP	NA	NA
+PJ064671	KEMRRY 	C37H63N13O10S	881.4542	NA	PeJP	NA	NA
+PJ064672	LLQHWW 	C45H59N11O8	881.4548	NA	PeJP	NA	NA
+PJ064673	GALLHWW 	C45H59N11O8	881.4549	NA	PeJP	NA	NA
+PJ064674	TLLLEMY 	C41H67N7O12S	881.4569	NA	PeJP	NA	NA
+PJ064675	EEHRRR 	C34H59N17O11	881.458	NA	PeJP	NA	NA
+PJ064676	GGGDKHRR 	C34H59N17O11	881.4581	NA	PeJP	NA	NA
+PJ064677	VKMRYW 	C42H63N11O8S	881.4582	NA	PeJP	NA	NA
+PJ064678	SSLKERY 	C38H63N11O13	881.4607	NA	PeJP	NA	NA
+PJ064679	GLKMMFR 	C39H67N11O8S2	881.4616	NA	PeJP	NA	NA
+PJ064680	VEHRRW 	C39H59N15O9	881.4621	NA	PeJP	NA	NA
+PJ064681	SSSSKKKM 	C35H67N11O13S	881.4641	NA	PeJP	NA	NA
+PJ064682	ATTLKYW 	C43H63N9O11	881.4647	NA	PeJP	NA	NA
+MJ096809	Lactoferroxin C 	C43H63N9O11	881.464703	NA	MeJP	NA	NA
+PJ064683	AAPPVLEW 	C43H63N9O11	881.4648	NA	PeJP	NA	NA
+PJ064684	TMRRRY 	C36H63N15O9S	881.4654	NA	PeJP	NA	NA
+PJ064685	VVHRWW 	C44H59N13O7	881.4661	NA	PeJP	NA	NA
+PJ064686	ALKKEMY 	C40H67N9O11S	881.4681	NA	PeJP	NA	NA
+PJ064687	PPVLFFY 	C48H63N7O9	881.4688	NA	PeJP	NA	NA
+PJ064688	GSNHRRR 	C33H59N19O10	881.4693	NA	PeJP	NA	NA
+PJ064689	SSTLRRY 	C37H63N13O12	881.4719	NA	PeJP	NA	NA
+PJ064690	GGSSKKRY 	C37H63N13O12	881.472	NA	PeJP	NA	NA
+PJ064691	PVLLMFY 	C45H67N7O9S	881.4721	NA	PeJP	NA	NA
+PJ064692	APKHHHR 	C38H59N17O8	881.4733	NA	PeJP	NA	NA
+PJ064693	VLLLMMY 	C42H71N7O9S2	881.4755	NA	PeJP	NA	NA
+PJ064694	PPVVERW 	C42H63N11O10	881.476	NA	PeJP	NA	NA
+MJ096810	Tylosin; 3C-Demethoxy, 2C,3C-didehydro, 4C-ketone 	C45H71NO16	881.477285	NA	MeJP	NA	NA
+PJ064695	ATLKMRY 	C39H67N11O10S	881.4793	NA	PeJP	NA	NA
+PJ064696	GGAKKKMY 	C39H67N11O10S	881.4794	NA	PeJP	NA	NA
+PJ064697	APPLLWW 	C47H63N9O8	881.48	NA	PeJP	NA	NA
+PJ064698	ATLEHRR 	C36H63N15O11	881.4832	NA	PeJP	NA	NA
+PJ064699	PCLKKFF 	C44H67N9O8S	881.4834	NA	PeJP	NA	NA
+PJ064700	TTLKKEY 	C40H67N9O13	881.4859	NA	PeJP	NA	NA
+PJ064701	VVKKMMF 	C41H71N9O8S2	881.4867	NA	PeJP	NA	NA
+PJ064702	GTLLHRW 	C41H63N13O9	881.4872	NA	PeJP	NA	NA
+PJ064703	PTLLLYY 	C45H67N7O11	881.4899	NA	PeJP	NA	NA
+PJ064704	GCKKKRY 	C38H67N13O9S	881.4906	NA	PeJP	NA	NA
+PJ064705	LLKHWW 	C46H63N11O7	881.4912	NA	PeJP	NA	NA
+PJ064706	SPPNRRR 	C35H63N17O10	881.4944	NA	PeJP	NA	NA
+PJ064707	TTTLKRY 	C39H67N11O12	881.4971	NA	PeJP	NA	NA
+PJ064708	QKKHRW 	C40H63N15O8	881.4984	NA	PeJP	NA	NA
+PJ064709	GAKKHRW 	C40H63N15O8	881.4985	NA	PeJP	NA	NA
+PJ064710	PPLLKEW 	C44H67N9O10	881.5011	NA	PeJP	NA	NA
+PJ064711	GLLMHRR 	C37H67N15O8S	881.5018	NA	PeJP	NA	NA
+PJ064712	SLLKKMY 	C41H71N9O10S	881.5045	NA	PeJP	NA	NA
+PJ064713	PVLLFFF 	C49H67N7O8	881.5052	NA	PeJP	NA	NA
+PJ064714	SLLKEHR 	C38H67N13O11	881.5083	NA	PeJP	NA	NA
+PJ064715	AAPPDKKR 	C38H67N13O11	881.5084	NA	PeJP	NA	NA
+PJ064716	VLLLMFF 	C46H71N7O8S	881.5085	NA	PeJP	NA	NA
+PJ064717	PPTLLRW 	C43H67N11O9	881.5124	NA	PeJP	NA	NA
+PJ064718	GKKKKMY 	C40H71N11O9S	881.5157	NA	PeJP	NA	NA
+PJ064719	STLLHRR 	C37H67N15O10	881.5196	NA	PeJP	NA	NA
+PJ064720	SPPVLLKE 	C41H71N9O12	881.5223	NA	PeJP	NA	NA
+PJ064721	APPKKRW 	C42H67N13O8	881.5236	NA	PeJP	NA	NA
+PJ064722	VVLLLYY 	C46H71N7O10	881.5263	NA	PeJP	NA	NA
+PJ064723	PPLLMRR 	C39H71N13O8S	881.527	NA	PeJP	NA	NA
+PJ064724	GPLQRRR 	C36H67N17O9	881.5308	NA	PeJP	NA	NA
+PJ064725	STKKKKY 	C40H71N11O11	881.5335	NA	PeJP	NA	NA
+PJ064726	KKKHRW 	C41H67N15O7	881.5348	NA	PeJP	NA	NA
+PJ064727	PLLLLQW 	C45H71N9O9	881.5375	NA	PeJP	NA	NA
+PJ064728	APPLLLKM 	C42H75N9O9S	881.5409	NA	PeJP	NA	NA
+PJ064729	AAPRRRR 	C35H67N19O8	881.542	NA	PeJP	NA	NA
+PJ064730	PVLLERR 	C39H71N13O10	881.5447	NA	PeJP	NA	NA
+PJ064731	PVVLLRW 	C44H71N11O8	881.5488	NA	PeJP	NA	NA
+PJ064732	LLLKKMH 	C41H75N11O8S	881.5521	NA	PeJP	NA	NA
+PJ064733	PPTKKRR 	C38H71N15O9	881.556	NA	PeJP	NA	NA
+PJ064734	APVLLLKE 	C42H75N9O11	881.5586	NA	PeJP	NA	NA
+PJ064735	GPLLLLKE 	C42H75N9O11	881.5587	NA	PeJP	NA	NA
+PJ064736	GPLKRRR 	C37H71N17O8	881.5672	NA	PeJP	NA	NA
+PJ064737	GPTLLLLR 	C41H75N11O10	881.5699	NA	PeJP	NA	NA
+PJ064738	PLLLLKW 	C46H75N9O8	881.5739	NA	PeJP	NA	NA
+PJ064739	PLLQKKR 	C40H75N13O9	881.5811	NA	PeJP	NA	NA
+PJ064740	PVVKKRR 	C39H75N15O8	881.5924	NA	PeJP	NA	NA
+HMDB08649	PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H84NO8P	881.593445	NA	HMDB2010	NA	NA
+HMDB08680	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C52H84NO8P	881.593445	NA	HMDB2010	NA	NA
+HMDB08681	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C52H84NO8P	881.593445	NA	HMDB2010	NA	NA
+HMDB08713	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C52H84NO8P	881.593445	NA	HMDB2010	NA	NA
+HMDB08714	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C52H84NO8P	881.593445	NA	HMDB2010	NA	NA
+HMDB08745	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	C52H84NO8P	881.593445	NA	HMDB2010	NA	NA
+PJ064741	SPVLLLLK 	C43H79N9O10	881.595	NA	PeJP	NA	NA
+PJ064742	AALLLLLR 	C42H79N11O9	881.6063	NA	PeJP	NA	NA
+PJ064743	VLLLLRR 	C41H79N13O8	881.6175	NA	PeJP	NA	NA
+PJ064744	GLLLLLLK 	C44H83N9O9	881.6314	NA	PeJP	NA	NA
+HMDB09575	PE(22:2(13Z,16Z)/24:1(15Z))	C51H96NO8P	881.687378	NA	HMDB2010	NA	NA
+HMDB09767	PE(24:1(15Z)/22:2(13Z,16Z))	C51H96NO8P	881.687378	NA	HMDB2010	NA	NA
+HMDB13449	PC(o-22:0/22:3(10Z,13Z,16Z))	C52H100NO7P	881.723755	NA	HMDB2010	NA	NA
+HMDB13452	PC(o-22:1(13Z)/22:2(13Z,16Z))	C52H100NO7P	881.723755	NA	HMDB2010	NA	NA
+8186	anticancer peptide	AYRNRYRRQYRY	881.94745	MH2+	Inhouse_peptide	NA	peptide
+PJ064745	CCCCCCDM 	C27H46N8O11S7	882.1331	NA	PeJP	NA	NA
+MJ096811	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3''-Deoxy, 5'''-hydroxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) 	C44H34O20	882.164343	NA	MeJP	NA	NA
+MJ096812	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) 	C44H34O20	882.164343	NA	MeJP	NA	NA
+MJ096813	3,3',4',5,7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) 	C44H34O20	882.164343	NA	MeJP	NA	NA
+PJ064746	SCCCCCMM 	C28H50N8O10S7	882.1695	NA	PeJP	NA	NA
+PJ064747	GCCCCCEY 	C31H46N8O12S5	882.1839	NA	PeJP	NA	NA
+PJ064748	PCCCCCDH 	C30H46N10O11S5	882.1952	NA	PeJP	NA	NA
+PJ064749	CCCCCYW 	C35H46N8O9S5	882.1992	NA	PeJP	NA	NA
+MJ096814	3,3',4',5',7-Pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan(6?4)-3,3',4',5',7-pentahydroxyflavan, 5B-Hydroxy 	C45H38O19	882.200729	NA	MeJP	NA	NA
+MJ096815	[3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan, 5A-Hydroxy 	C45H38O19	882.200729	NA	MeJP	NA	NA
+MJ096816	[3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan, 5B-Hydroxy 	C45H38O19	882.200729	NA	MeJP	NA	NA
+PJ064750	SSCCCCDY 	C31H46N8O14S4	882.2017	NA	PeJP	NA	NA
+PJ064751	ACCCCCMF 	C32H50N8O9S6	882.2025	NA	PeJP	NA	NA
+PJ064752	GCCCDDMH 	C30H46N10O13S4	882.2129	NA	PeJP	NA	NA
+PJ064753	GCDDDDDE 	C30H42N8O21S	882.2186	NA	PeJP	NA	NA
+PJ064754	GTCCCCMY 	C32H50N8O11S5	882.2203	NA	PeJP	NA	NA
+PJ064755	SCCCCNNH 	C29H46N12O12S4	882.2241	NA	PeJP	NA	NA
+PJ064756	GGGGSCCCCH 	C29H46N12O12S4	882.2242	NA	PeJP	NA	NA
+PJ064757	CCCCEHW 	C34H46N10O10S4	882.2282	NA	PeJP	NA	NA
+PJ064758	SSCCCDEH 	C30H46N10O15S3	882.2307	NA	PeJP	NA	NA
+PJ064759	SPCCCCMH 	C31H50N10O10S5	882.2315	NA	PeJP	NA	NA
+PJ064760	CDDDDDW 	C34H42N8O18S	882.2338	NA	PeJP	NA	NA
+PJ064761	CCCNDYY 	C35H46N8O13S3	882.2347	NA	PeJP	NA	NA
+PJ064762	SSDDDDDD 	C30H42N8O23	882.2363	NA	PeJP	NA	NA
+PJ064763	SPCCDDDE 	C31H46N8O18S2	882.2372	NA	PeJP	NA	NA
+PJ064764	SSSCCCMY 	C32H50N8O13S4	882.238	NA	PeJP	NA	NA
+PJ064765	PPCCCDDM 	C32H50N8O13S4	882.2381	NA	PeJP	NA	NA
+PJ064766	GCNNDDDM 	C30H46N10O17S2	882.2484	NA	PeJP	NA	NA
+PJ064767	GSCCDMMH 	C31H50N10O12S4	882.2493	NA	PeJP	NA	NA
+PJ064768	CCCNMFY 	C36H50N8O10S4	882.2533	NA	PeJP	NA	NA
+PJ064769	ATCDDDDE 	C31H46N8O20S	882.2549	NA	PeJP	NA	NA
+PJ064770	GSDDDDEM 	C31H46N8O20S	882.255	NA	PeJP	NA	NA
+MJ096817	Corynebactin 	C39H42N6O18	882.255558	NA	MeJP	NA	NA
+C12219	Corynebactin	C39H42N6O18	882.2556	NA	KEGG	NA	NA
+PJ064771	GPCDDDMM 	C32H50N8O15S3	882.2558	NA	PeJP	NA	NA
+PJ064772	SCCNNNND 	C29H46N12O16S2	882.2596	NA	PeJP	NA	NA
+PJ064773	GGSCCNNND 	C29H46N12O16S2	882.2597	NA	PeJP	NA	NA
+PJ064774	CCNNDEW 	C34H46N10O14S2	882.2637	NA	PeJP	NA	NA
+PJ064775	TCCCMHW 	C35H50N10O9S4	882.2645	NA	PeJP	NA	NA
+PJ064776	APCCCCHF 	C35H50N10O9S4	882.2646	NA	PeJP	NA	NA
+PJ064777	SSCNNDDE 	C30H46N10O19S	882.2662	NA	PeJP	NA	NA
+PJ064778	SSSCCEMH 	C31H50N10O14S3	882.267	NA	PeJP	NA	NA
+PJ064779	GGSPCCNDM 	C31H50N10O14S3	882.2671	NA	PeJP	NA	NA
+PJ064780	CCQMMMH 	C32H54N10O9S5	882.2679	NA	PeJP	NA	NA
+PJ064781	GSCCCHHH 	C32H46N14O10S3	882.2684	NA	PeJP	NA	NA
+PJ064782	SDDDDMW 	C35H46N8O17S	882.2702	NA	PeJP	NA	NA
+PJ064783	PCCDEMW 	C36H50N8O12S3	882.2711	NA	PeJP	NA	NA
+PJ064784	SSSDDDEE 	C31H46N8O22	882.2727	NA	PeJP	NA	NA
+PJ064785	NDDEEMM 	C32H50N8O17S2	882.2736	NA	PeJP	NA	NA
+PJ064786	SPPCCDMM 	C33H54N8O12S4	882.2744	NA	PeJP	NA	NA
+PJ064787	GPCCDDHH 	C33H46N12O13S2	882.2749	NA	PeJP	NA	NA
+PJ064788	GCCNNNQM 	C30H50N12O13S3	882.2783	NA	PeJP	NA	NA
+PJ064789	GCCNDWW 	C38H46N10O11S2	882.2789	NA	PeJP	NA	NA
+PJ064790	CCCMMHR 	C31H54N12O8S5	882.2792	NA	PeJP	NA	NA
+PJ064791	GSSCNDDW 	C34H46N10O16S	882.2814	NA	PeJP	NA	NA
+PJ064792	GSPCCCQW 	C35H50N10O11S3	882.2823	NA	PeJP	NA	NA
+PJ064793	GSSSSNDDD 	C30H46N10O21	882.2839	NA	PeJP	NA	NA
+PJ064794	CDDDEMR 	C31H50N10O16S2	882.2848	NA	PeJP	NA	NA
+PJ064795	GSSCMMMH 	C32H54N10O11S4	882.2857	NA	PeJP	NA	NA
+PJ064796	CCCNFFF 	C40H50N8O9S3	882.2863	NA	PeJP	NA	NA
+PJ064797	GSPDDDDY 	C35H46N8O19	882.288	NA	PeJP	NA	NA
+MJ096818	AH18 	C51H46O14	882.288756	NA	MeJP	NA	NA
+MJ096819	AH20 	C51H46O14	882.288756	NA	MeJP	NA	NA
+PJ064798	GDDEMMW 	C36H50N8O14S2	882.2888	NA	PeJP	NA	NA
+PJ064799	GCCCNNNR 	C29H50N14O12S3	882.2895	NA	PeJP	NA	NA
+PJ064800	GSSDEEEM 	C32H50N8O19S	882.2913	NA	PeJP	NA	NA
+PJ064801	GSPDDMMM 	C33H54N8O14S3	882.2922	NA	PeJP	NA	NA
+PJ064802	NDDDMHH 	C33H46N12O15S	882.2927	NA	PeJP	NA	NA
+PJ064803	APPCCMMM 	C34H58N8O9S5	882.2931	NA	PeJP	NA	NA
+PJ064804	CCCDHFR 	C34H50N12O10S3	882.2935	NA	PeJP	NA	NA
+PJ064805	GSCCNDER 	C30H50N12O15S2	882.296	NA	PeJP	NA	NA
+PJ064806	GGGSCCDER 	C30H50N12O15S2	882.2961	NA	PeJP	NA	NA
+PJ064807	GPCCCNMR 	C31H54N12O10S4	882.2969	NA	PeJP	NA	NA
+PJ064808	GCCMHFW 	C39H50N10O8S3	882.2976	NA	PeJP	NA	NA
+PJ064809	NNNDDEY 	C34H46N10O18	882.2992	NA	PeJP	NA	NA
+PJ064810	SCCQQEW 	C35H50N10O13S2	882.3	NA	PeJP	NA	NA
+PJ064811	SCNNEMW 	C35H50N10O13S2	882.3001	NA	PeJP	NA	NA
+PJ064812	SSSCDQQE 	C31H50N10O18S	882.3025	NA	PeJP	NA	NA
+PJ064813	SSSNNDEM 	C31H50N10O18S	882.3026	NA	PeJP	NA	NA
+PJ064814	GDDDEFW 	C39H46N8O16	882.3032	NA	PeJP	NA	NA
+PJ064815	SSSTCMMH 	C32H54N10O13S3	882.3034	NA	PeJP	NA	NA
+PJ064816	GGGGGGEMMM 	C32H54N10O13S3	882.3035	NA	PeJP	NA	NA
+PJ064817	GSCNNDHH 	C32H46N14O14S	882.3039	NA	PeJP	NA	NA
+PJ064818	DDMMWW 	C40H50N8O11S2	882.3041	NA	PeJP	NA	NA
+PJ064819	CCKMMMH 	C33H58N10O8S5	882.3043	NA	PeJP	NA	NA
+PJ064820	SSDEEMW 	C36H50N8O16S	882.3066	NA	PeJP	NA	NA
+PJ064821	SPCEMMW 	C37H54N8O11S3	882.3074	NA	PeJP	NA	NA
+PJ064822	PPPTCCCY 	C37H54N8O11S3	882.3075	NA	PeJP	NA	NA
+PJ064823	GCDEHHW 	C37H46N12O12S	882.3079	NA	PeJP	NA	NA
+PJ064824	SSSSEEEE 	C32H50N8O21	882.3091	NA	PeJP	NA	NA
+PJ064825	SQEEEMM 	C33H54N8O16S2	882.3099	NA	PeJP	NA	NA
+PJ064826	TNEEEMM 	C33H54N8O16S2	882.31	NA	PeJP	NA	NA
+PJ064827	GSSDDEHH 	C33H46N12O17	882.3104	NA	PeJP	NA	NA
+PJ064828	GGGGGPDDDH 	C33H46N12O17	882.3105	NA	PeJP	NA	NA
+PJ064829	DEMYYY 	C41H50N6O14S	882.3106	NA	PeJP	NA	NA
+PJ064830	PNEMMMM 	C34H58N8O11S4	882.3108	NA	PeJP	NA	NA
+PJ064831	SCCNDRW 	C34H50N12O12S2	882.3113	NA	PeJP	NA	NA
+PJ064832	SSSCNDDR 	C30H50N12O17S	882.3138	NA	PeJP	NA	NA
+PJ064833	GNNDDYW 	C38H46N10O15	882.3144	NA	PeJP	NA	NA
+PJ064834	GGGNDDYW 	C38H46N10O15	882.3145	NA	PeJP	NA	NA
+PJ064835	CNNDMMR 	C31H54N12O12S3	882.3147	NA	PeJP	NA	NA
+PJ064836	GSCNMWW 	C39H50N10O10S2	882.3153	NA	PeJP	NA	NA
+PJ064837	GSSSNDMW 	C35H50N10O15S	882.3178	NA	PeJP	NA	NA
+PJ064838	DDDFWW 	C43H46N8O13	882.3185	NA	PeJP	NA	NA
+PJ064839	GNNMMMW 	C36H54N10O10S3	882.3187	NA	PeJP	NA	NA
+PJ064840	GSSSSSNEE 	C31H50N10O20	882.3203	NA	PeJP	NA	NA
+PJ064841	SDDEMMR 	C32H54N10O15S2	882.3212	NA	PeJP	NA	NA
+PFEM042F1	Folate	F1	882.3215	NA	Inhouse_original	NA	NA
+PJ064842	GPDDMYW 	C40H50N8O13S	882.3218	NA	PeJP	NA	NA
+PJ064843	PCDMMMR 	C33H58N10O10S4	882.3221	NA	PeJP	NA	NA
+PJ064844	CNNQMHH 	C33H50N14O11S2	882.3225	NA	PeJP	NA	NA
+PJ064845	GGGGGACMHH 	C33H50N14O11S2	882.3226	NA	PeJP	NA	NA
+PJ064846	PPCCMFW 	C41H54N8O8S3	882.3227	NA	PeJP	NA	NA
+PJ064847	CDHHWW 	C41H46N12O9S	882.3232	NA	PeJP	NA	NA
+PJ064848	GQEEEEY 	C36H50N8O18	882.3243	NA	PeJP	NA	NA
+PJ064849	GGAEEEEY 	C36H50N8O18	882.3244	NA	PeJP	NA	NA
+PJ064850	GTEEMMW 	C37H54N8O13S2	882.3252	NA	PeJP	NA	NA
+PJ064851	SSDDHHW 	C37H46N12O14	882.3257	NA	PeJP	NA	NA
+PJ064852	CCCNERR 	C30H54N14O11S3	882.3259	NA	PeJP	NA	NA
+PJ064853	GPMMMMW 	C38H58N8O8S4	882.3261	NA	PeJP	NA	NA
+PJ064854	PTCCHHW 	C38H50N12O9S2	882.3265	NA	PeJP	NA	NA
+PJ064855	GSTTEEEM 	C33H54N8O18S	882.3277	NA	PeJP	NA	NA
+PJ064856	VNEEMMM 	C34H58N8O13S3	882.3286	NA	PeJP	NA	NA
+PJ064857	NNNNNMY 	C34H50N12O14S	882.329	NA	PeJP	NA	NA
+PJ064858	GGGGNNNMY 	C34H50N12O14S	882.3291	NA	PeJP	NA	NA
+PJ064859	EMMFYY 	C42H54N6O11S2	882.3292	NA	PeJP	NA	NA
+PJ064860	GCCQMRW 	C35H54N12O9S3	882.3299	NA	PeJP	NA	NA
+PJ064861	SSSSSSNNN 	C30H50N12O19	882.3315	NA	PeJP	NA	NA
+PJ064862	GGGGSSSSSSN 	C30H50N12O19	882.3316	NA	PeJP	NA	NA
+PJ064863	GSSCNEMR 	C31H54N12O14S2	882.3324	NA	PeJP	NA	NA
+PJ064864	SSSCQWW 	C39H50N10O12S	882.3331	NA	PeJP	NA	NA
+PJ064865	APCCCCKR 	C32H58N12O9S4	882.3333	NA	PeJP	NA	NA
+PJ064866	CCNNHHR 	C32H50N16O10S2	882.3338	NA	PeJP	NA	NA
+PJ064867	SSSSSNEW 	C35H50N10O17	882.3356	NA	PeJP	NA	NA
+PJ064868	SSNQMMW 	C36H54N10O12S2	882.3364	NA	PeJP	NA	NA
+PJ064869	GGGGSTMMW 	C36H54N10O12S2	882.3365	NA	PeJP	NA	NA
+PJ064870	PCEYWW 	C44H50N8O10S	882.3371	NA	PeJP	NA	NA
+PJ064871	SSSSQQEM 	C32H54N10O17S	882.3389	NA	PeJP	NA	NA
+PJ064872	GGGGSSTTEM 	C32H54N10O17S	882.339	NA	PeJP	NA	NA
+PJ064873	QEEEYW 	C40H50N8O15	882.3396	NA	PeJP	NA	NA
+PJ064874	GEEMMMR 	C33H58N10O12S3	882.3398	NA	PeJP	NA	NA
+PJ064875	SCDEHHR 	C33H50N14O13S	882.3403	NA	PeJP	NA	NA
+MJ096820	13',13'-Bis(10'-hydroxyperrottetin E) 	C56H50O10	882.340397	NA	MeJP	NA	NA
+PJ064876	TEMMWW 	C41H54N8O10S2	882.3405	NA	PeJP	NA	NA
+PJ064877	GCCCRRW 	C34H54N14O8S3	882.3412	NA	PeJP	NA	NA
+PJ064878	STTEEMW 	C37H54N8O15S	882.343	NA	PeJP	NA	NA
+PJ064879	PDYYYY 	C45H50N6O13	882.3436	NA	PeJP	NA	NA
+PJ064880	GSSCCDRR 	C30H54N14O13S2	882.3437	NA	PeJP	NA	NA
+PJ064881	GVEMMMW 	C38H58N8O10S3	882.3438	NA	PeJP	NA	NA
+PJ064882	GSEMHHW 	C38H50N12O11S	882.3443	NA	PeJP	NA	NA
+PJ064883	SSTTTEEE 	C33H54N8O20	882.3455	NA	PeJP	NA	NA
+PJ064884	SKEEEMM 	C34H58N8O15S2	882.3463	NA	PeJP	NA	NA
+PJ064885	SNNDDRY 	C34H50N12O16	882.3468	NA	PeJP	NA	NA
+PJ064886	PDKMMMM 	C35H62N8O10S4	882.3472	NA	PeJP	NA	NA
+PJ064887	SSCNMRW 	C35H54N12O11S2	882.3477	NA	PeJP	NA	NA
+PJ064888	SNDHHHH 	C35H46N16O12	882.3482	NA	PeJP	NA	NA
+PJ064889	CNQFWW 	C43H50N10O9S	882.3483	NA	PeJP	NA	NA
+PJ064890	SSSSNDMR 	C31H54N12O16S	882.3502	NA	PeJP	NA	NA
+PJ064891	GSSSSSWW 	C39H50N10O14	882.3508	NA	PeJP	NA	NA
+PJ064892	GGGGGGPDFY 	C39H50N10O14	882.3509	NA	PeJP	NA	NA
+PJ064893	SNNMMMR 	C32H58N12O11S3	882.351	NA	PeJP	NA	NA
+PJ064894	GGSNMMMR 	C32H58N12O11S3	882.3511	NA	PeJP	NA	NA
+PJ064895	GTCCKWW 	C40H54N10O9S2	882.3517	NA	PeJP	NA	NA
+PJ064896	GSSSTQMW 	C36H54N10O14S	882.3542	NA	PeJP	NA	NA
+PJ064897	NNFYYY 	C44H50N8O12	882.3548	NA	PeJP	NA	NA
+PJ064898	AEEYWW 	C44H50N8O12	882.3549	NA	PeJP	NA	NA
+PJ064899	EMMMRW 	C37H58N10O9S3	882.3551	NA	PeJP	NA	NA
+PJ064900	GSSSSSDKE 	C32H54N10O19	882.3567	NA	PeJP	NA	NA
+PJ064901	STEEMMR 	C33H58N10O14S2	882.3576	NA	PeJP	NA	NA
+PJ064902	SSSSNQHH 	C33H50N14O15	882.358	NA	PeJP	NA	NA
+PJ064903	GGGGSSSTHH 	C33H50N14O15	882.3581	NA	PeJP	NA	NA
+PJ064904	GPTEMYW 	C41H54N8O12S	882.3582	NA	PeJP	NA	NA
+PJ064905	SPMMMMR 	C34H62N10O9S4	882.3584	NA	PeJP	NA	NA
+PJ064906	APCCCKKM 	C34H62N10O9S4	882.3585	NA	PeJP	NA	NA
+PJ064907	GDMMHHR 	C34H54N14O10S2	882.3589	NA	PeJP	NA	NA
+PJ064908	VMMMWW 	C42H58N8O7S3	882.3591	NA	PeJP	NA	NA
+PJ064909	SMHHWW 	C42H50N12O8S	882.3596	NA	PeJP	NA	NA
+PJ064910	GKEEEEY 	C37H54N8O17	882.3607	NA	PeJP	NA	NA
+PJ064911	SSLEMMW 	C38H58N8O12S2	882.3616	NA	PeJP	NA	NA
+PJ064912	SSTEHHW 	C38H50N12O13	882.3621	NA	PeJP	NA	NA
+PJ064913	PMFYYY 	C46H54N6O10S	882.3622	NA	PeJP	NA	NA
+PJ064914	SCCQMRR 	C31H58N14O10S3	882.3623	NA	PeJP	NA	NA
+PJ064915	AAMMHHW 	C39H54N12O8S2	882.3629	NA	PeJP	NA	NA
+PJ064916	SSSTLEEM 	C34H58N8O17S	882.3641	NA	PeJP	NA	NA
+PJ064917	VDKEMMM 	C35H62N8O12S3	882.365	NA	PeJP	NA	NA
+PJ064918	GSSSTCRW 	C35H54N12O13S	882.3654	NA	PeJP	NA	NA
+PJ064919	GGGGGEMRY 	C35H54N12O13S	882.3655	NA	PeJP	NA	NA
+PJ064920	LMMYYY 	C43H58N6O10S2	882.3656	NA	PeJP	NA	NA
+PJ064921	SNQYWW 	C43H50N10O11	882.3661	NA	PeJP	NA	NA
+PJ064922	GCCKMRW 	C36H58N12O8S3	882.3663	NA	PeJP	NA	NA
+PJ064923	GQMHHHH 	C36H50N16O9S	882.3668	NA	PeJP	NA	NA
+PJ064924	GSSSSSSER 	C31H54N12O18	882.3679	NA	PeJP	NA	NA
+PJ064925	GSSSQMMR 	C32H58N12O13S2	882.3688	NA	PeJP	NA	NA
+PJ064926	NNNNDHR 	C32H50N16O14	882.3693	NA	PeJP	NA	NA
+PJ064927	QQQMYW 	C40H54N10O11S	882.3694	NA	PeJP	NA	NA
+PJ064928	SSSCKWW 	C40H54N10O11S	882.3695	NA	PeJP	NA	NA
+PJ064929	SSSSTTQW 	C36H54N10O16	882.3719	NA	PeJP	NA	NA
+PJ064930	SSSSSDKW 	C36H54N10O16	882.372	NA	PeJP	NA	NA
+PJ064931	SSNKMMW 	C37H58N10O11S2	882.3728	NA	PeJP	NA	NA
+PJ064932	GGGGGGLMMF 	C37H58N10O11S2	882.3729	NA	PeJP	NA	NA
+PJ064933	GNNQQHW 	C37H50N14O12	882.3733	NA	PeJP	NA	NA
+PJ064934	PTMYWW 	C45H54N8O9S	882.3735	NA	PeJP	NA	NA
+PJ064935	SSSSQKEM 	C33H58N10O16S	882.3753	NA	PeJP	NA	NA
+PJ064936	KEEEYW 	C41H54N8O14	882.376	NA	PeJP	NA	NA
+PJ064937	SVEMMMR 	C34H62N10O11S3	882.3762	NA	PeJP	NA	NA
+PJ064938	GCNDRRY 	C34H54N14O12S	882.3767	NA	PeJP	NA	NA
+PJ064939	APCLMYW 	C42H58N8O9S2	882.3768	NA	PeJP	NA	NA
+PJ064940	GPVMMYW 	C42H58N8O9S2	882.3769	NA	PeJP	NA	NA
+PJ064941	GSPNHWW 	C42H50N12O10	882.3773	NA	PeJP	NA	NA
+PJ064942	GCHHHHR 	C35H50N18O8S	882.378	NA	PeJP	NA	NA
+PJ064943	SSPPTTMY 	C38H58N8O14S	882.3793	NA	PeJP	NA	NA
+PJ064944	SPKEEMY 	C38H58N8O14S	882.3794	NA	PeJP	NA	NA
+PJ064945	VEFYYY 	C46H54N6O12	882.38	NA	PeJP	NA	NA
+PJ064946	ATLMMMW 	C39H62N8O9S3	882.3802	NA	PeJP	NA	NA
+PJ064947	NNMRYW 	C39H54N12O10S	882.3807	NA	PeJP	NA	NA
+PJ064948	TTTTTTEE 	C34H58N8O19	882.3818	NA	PeJP	NA	NA
+PJ064949	GTTTLEMM 	C35H62N8O14S2	882.3827	NA	PeJP	NA	NA
+PJ064950	SSSSSSRW 	C35H54N12O15	882.3832	NA	PeJP	NA	NA
+PJ064951	VLQMMMM 	C36H66N8O9S4	882.3836	NA	PeJP	NA	NA
+PJ064952	STCCKRW 	C36H58N12O10S2	882.3841	NA	PeJP	NA	NA
+PJ064953	STQHHHH 	C36H50N16O11	882.3845	NA	PeJP	NA	NA
+PJ064954	GGGGPQHHH 	C36H50N16O11	882.3846	NA	PeJP	NA	NA
+PJ064955	CNKFWW 	C44H54N10O8S	882.3847	NA	PeJP	NA	NA
+PJ064956	SSSSTQMR 	C32H58N12O15S	882.3866	NA	PeJP	NA	NA
+PJ064957	TEERYW 	C40H54N10O13	882.3872	NA	PeJP	NA	NA
+PJ064958	SCQKMMR 	C33H62N12O10S3	882.3874	NA	PeJP	NA	NA
+PJ064959	GGGCCCKKK 	C33H62N12O10S3	882.3875	NA	PeJP	NA	NA
+PJ064960	PMMRYW 	C41H58N10O8S2	882.3881	NA	PeJP	NA	NA
+PJ064961	GSSSTKMW 	C37H58N10O13S	882.3906	NA	PeJP	NA	NA
+PJ064962	SLEYWW 	C45H54N8O11	882.3912	NA	PeJP	NA	NA
+MJ096821	Ostreogrycin B; 2-Hydroxy 	C45H54N8O11	882.391204	NA	MeJP	NA	NA
+PJ064963	GGPPDFFF 	C45H54N8O11	882.3913	NA	PeJP	NA	NA
+PJ064964	GCKKMMW 	C38H62N10O8S3	882.3915	NA	PeJP	NA	NA
+PJ064965	GPCQHRW 	C38H54N14O9S	882.3919	NA	PeJP	NA	NA
+PJ064966	AHHFWW 	C46H50N12O7	882.3926	NA	PeJP	NA	NA
+PJ064967	GSSSSTTKE 	C33H58N10O18	882.3931	NA	PeJP	NA	NA
+PJ064968	VTTTCCQK 	C34H62N10O13S2	882.3939	NA	PeJP	NA	NA
+PJ064969	GSSDKKMM 	C34H62N10O13S2	882.394	NA	PeJP	NA	NA
+PJ064970	GQQEEHR 	C34H54N14O14	882.3944	NA	PeJP	NA	NA
+PJ064971	GGGAAEEHR 	C34H54N14O14	882.3945	NA	PeJP	NA	NA
+PJ064972	AALEMYW 	C42H58N8O11S	882.3946	NA	PeJP	NA	NA
+PJ064973	ALMMMMR 	C35H66N10O8S4	882.3948	NA	PeJP	NA	NA
+PJ064974	PFFFYY 	C50H54N6O9	882.3953	NA	PeJP	NA	NA
+PJ064975	SVKEEEY 	C38H58N8O16	882.3971	NA	PeJP	NA	NA
+PJ064976	SSSSTCRR 	C31H58N14O14S	882.3978	NA	PeJP	NA	NA
+PJ064977	TTTLMMW 	C39H62N8O11S2	882.398	NA	PeJP	NA	NA
+PJ064978	GSSQRYW 	C39H54N12O12	882.3984	NA	PeJP	NA	NA
+PJ064979	GGGSTRYW 	C39H54N12O12	882.3985	NA	PeJP	NA	NA
+PJ064980	LMFFYY 	C47H58N6O9S	882.3986	NA	PeJP	NA	NA
+PJ064981	SCCKMRR 	C32H62N14O9S3	882.3987	NA	PeJP	NA	NA
+PJ064982	STTTTLEM 	C35H62N8O16S	882.4005	NA	PeJP	NA	NA
+PJ064983	TLKEMMM 	C36H66N8O11S3	882.4013	NA	PeJP	NA	NA
+PJ064984	GSTLLMMM 	C36H66N8O11S3	882.4014	NA	PeJP	NA	NA
+PJ064985	EEMRRY 	C36H58N12O12S	882.4018	NA	PeJP	NA	NA
+PJ064986	GGGGGGPPPCK 	C36H58N12O12S	882.4019	NA	PeJP	NA	NA
+PJ064987	SNKYWW 	C44H54N10O10	882.4025	NA	PeJP	NA	NA
+PJ064988	PPCHHHR 	C37H54N16O8S	882.4032	NA	PeJP	NA	NA
+PJ064989	GSSSSTTTR 	C32H58N12O17	882.4043	NA	PeJP	NA	NA
+PJ064990	GSSSKMMR 	C33H62N12O12S2	882.4052	NA	PeJP	NA	NA
+PJ064991	GNDEHRR 	C33H54N16O13	882.4057	NA	PeJP	NA	NA
+PJ064992	VEMRYW 	C41H58N10O10S	882.4058	NA	PeJP	NA	NA
+PJ064993	GGAAKMYW 	C41H58N10O10S	882.4059	NA	PeJP	NA	NA
+PJ064994	PTFFWW 	C49H54N8O8	882.4065	NA	PeJP	NA	NA
+PJ064995	SSSSTTKW 	C37H58N10O15	882.4083	NA	PeJP	NA	NA
+PJ064996	GGSDKKEY 	C37H58N10O15	882.4084	NA	PeJP	NA	NA
+PJ064997	STCKKMW 	C38H62N10O10S2	882.4092	NA	PeJP	NA	NA
+PJ064998	QQEHRW 	C38H54N14O11	882.4097	NA	PeJP	NA	NA
+PJ064999	VVMYWW 	C46H58N8O8S	882.4099	NA	PeJP	NA	NA
+PJ065000	SSSSKKEM 	C34H62N10O15S	882.4117	NA	PeJP	NA	NA
+PJ065001	ATTLEYW 	C42H58N8O13	882.4124	NA	PeJP	NA	NA
+PJ065002	TTLMMMR 	C35H66N10O10S3	882.4126	NA	PeJP	NA	NA
+PJ065003	ASCQRRY 	C35H58N14O11S	882.413	NA	PeJP	NA	NA
+PJ065004	GSNMRRY 	C35H58N14O11S	882.4131	NA	PeJP	NA	NA
+PJ065005	GVLMMFW 	C43H62N8O8S2	882.4132	NA	PeJP	NA	NA
+PJ065006	VQQHWW 	C43H54N12O9	882.4137	NA	PeJP	NA	NA
+PJ065007	ALKEEMY 	C39H62N8O13S	882.4157	NA	PeJP	NA	NA
+PJ065008	APPPLEEM 	C39H62N8O13S	882.4158	NA	PeJP	NA	NA
+PJ065009	VLYYYY 	C47H58N6O11	882.4164	NA	PeJP	NA	NA
+PJ065010	PVKMMMF 	C40H66N8O8S3	882.4166	NA	PeJP	NA	NA
+PJ065011	CQKRYW 	C40H58N12O9S	882.4171	NA	PeJP	NA	NA
+PJ065012	SSTTLLMM 	C36H66N8O13S2	882.4191	NA	PeJP	NA	NA
+PJ065013	SSNKERY 	C36H58N12O14	882.4196	NA	PeJP	NA	NA
+PJ065014	VLKMMMM 	C37H70N8O8S4	882.42	NA	PeJP	NA	NA
+PJ065015	ACQKMFR 	C37H62N12O9S2	882.4204	NA	PeJP	NA	NA
+PJ065016	GNKMMFR 	C37H62N12O9S2	882.4205	NA	PeJP	NA	NA
+PJ065017	NDHRRW 	C37H54N16O10	882.4209	NA	PeJP	NA	NA
+PJ065018	PMFFRW 	C45H58N10O7S	882.4211	NA	PeJP	NA	NA
+PJ065019	SSSSTKMR 	C33H62N12O14S	882.4229	NA	PeJP	NA	NA
+PJ065020	GSDKKYW 	C41H58N10O12	882.4236	NA	PeJP	NA	NA
+PJ065021	SCKKMMR 	C34H66N12O9S3	882.4238	NA	PeJP	NA	NA
+PJ065022	SPCQHRR 	C34H58N16O10S	882.4243	NA	PeJP	NA	NA
+PJ065023	LMMFRW 	C42H62N10O7S2	882.4245	NA	PeJP	NA	NA
+PJ065024	AQHRWW 	C42H54N14O8	882.4249	NA	PeJP	NA	NA
+PJ065025	GAAHRWW 	C42H54N14O8	882.425	NA	PeJP	NA	NA
+PJ065026	ATLEMRY 	C38H62N10O12S	882.427	NA	PeJP	NA	NA
+PJ065027	AAPLYYW 	C46H58N8O10	882.4276	NA	PeJP	NA	NA
+PJ065028	GPCKHRW 	C39H58N14O8S	882.4283	NA	PeJP	NA	NA
+PJ065029	SSSSSSTLK 	C34H62N10O17	882.4295	NA	PeJP	NA	NA
+PJ065030	GSTTKKMM 	C35H66N10O12S2	882.4303	NA	PeJP	NA	NA
+PJ065031	SSSQRRY 	C35H58N14O13	882.4308	NA	PeJP	NA	NA
+PJ065032	GTLLMYW 	C43H62N8O10S	882.431	NA	PeJP	NA	NA
+PJ065033	LFFFFY 	C51H58N6O8	882.4316	NA	PeJP	NA	NA
+PJ065034	ACCKFRR 	C36H62N14O8S2	882.4317	NA	PeJP	NA	NA
+PJ065035	TTLKEEY 	C39H62N8O15	882.4335	NA	PeJP	NA	NA
+PJ065036	PTLKMMY 	C40H66N8O10S2	882.4344	NA	PeJP	NA	NA
+PJ065037	GSSKRYW 	C40H58N12O11	882.4348	NA	PeJP	NA	NA
+PJ065038	GAAPPERW 	C40H58N12O11	882.4349	NA	PeJP	NA	NA
+PJ065039	GTQKMRY 	C37H62N12O11S	882.4382	NA	PeJP	NA	NA
+PJ065040	LLEHWW 	C45H58N10O9	882.4389	NA	PeJP	NA	NA
+PJ065041	MHHFRR 	C38H58N16O7S	882.4396	NA	PeJP	NA	NA
+PJ065042	GTQEHRR 	C34H58N16O12	882.442	NA	PeJP	NA	NA
+PJ065043	ASQEHRR 	C34H58N16O12	882.4421	NA	PeJP	NA	NA
+PJ065044	QKKMYW 	C42H62N10O9S	882.4422	NA	PeJP	NA	NA
+PJ065045	VVFFWW 	C50H58N8O7	882.4429	NA	PeJP	NA	NA
+PJ065046	TTTLERY 	C38H62N10O14	882.4447	NA	PeJP	NA	NA
+PJ065047	GGGGSPPLLE 	C38H62N10O14	882.4448	NA	PeJP	NA	NA
+PJ065048	GLLMMRY 	C39H66N10O9S2	882.4456	NA	PeJP	NA	NA
+PJ065049	GPPDRRW 	C39H58N14O10	882.4461	NA	PeJP	NA	NA
+PJ065050	SSTTTKKM 	C35H66N10O14S	882.4481	NA	PeJP	NA	NA
+PJ065051	STTLLYW 	C43H62N8O12	882.4487	NA	PeJP	NA	NA
+PJ065052	PPLLEEW 	C43H62N8O12	882.4488	NA	PeJP	NA	NA
+7430	coeliac toxic peptide	QQPPFSQQQQLVLPQ	882.449	MH2+	Inhouse_peptide	NA	peptide
+PJ065053	SKKKMMM 	C36H70N10O9S3	882.449	NA	PeJP	NA	NA
+PJ065054	GTCKRRY 	C36H62N14O10S	882.4494	NA	PeJP	NA	NA
+PJ065055	GPPPTCRR 	C36H62N14O10S	882.4495	NA	PeJP	NA	NA
+PJ065056	AAPPRWW 	C44H58N12O8	882.4501	NA	PeJP	NA	NA
+PJ065057	SLLKEMY 	C40H66N8O12S	882.4521	NA	PeJP	NA	NA
+PJ065058	GSDHRRR 	C33H58N18O11	882.4533	NA	PeJP	NA	NA
+PJ065059	CKKRYW 	C41H62N12O8S	882.4535	NA	PeJP	NA	NA
+PJ065060	SSDKKRY 	C37H62N12O13	882.456	NA	PeJP	NA	NA
+PJ065061	ACKKMFR 	C38H66N12O8S2	882.4568	NA	PeJP	NA	NA
+PJ065062	TQHRRW 	C38H58N16O9	882.4573	NA	PeJP	NA	NA
+PJ065063	GTTKKYW 	C42H62N10O11	882.46	NA	PeJP	NA	NA
+PJ065064	GVQMHRR 	C35H62N16O9S	882.4607	NA	PeJP	NA	NA
+MJ096822	3,23-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C45H70O17	882.4613	NA	MeJP	NA	NA
+MJ096823	Spirost-5-ene-3,27-diol, 27-(3-Hydroxy-3-methylglutaroyl), 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C45H70O17	882.4613	NA	MeJP	NA	NA
+PJ065065	AKHRWW 	C43H58N14O7	882.4613	NA	PeJP	NA	NA
+PJ065066	STLLMRY 	C39H66N10O11S	882.4633	NA	PeJP	NA	NA
+PJ065067	VTTLMRY 	C39H66N10O11S	882.4634	NA	PeJP	NA	NA
+PJ065068	AALLFYW 	C47H62N8O9	882.464	NA	PeJP	NA	NA
+PJ065069	SSSKRRY 	C36H62N14O12	882.4672	NA	PeJP	NA	NA
+PJ065070	PVVKMFY 	C44H66N8O9S	882.4674	NA	PeJP	NA	NA
+PJ065071	SSSTLLLY 	C40H66N8O14	882.4699	NA	PeJP	NA	NA
+PJ065072	VVLKMMY 	C41H70N8O9S2	882.4708	NA	PeJP	NA	NA
+PJ065073	APPKERW 	C41H62N12O10	882.4712	NA	PeJP	NA	NA
+PJ065074	QMHRRR 	C34H62N18O8S	882.4719	NA	PeJP	NA	NA
+PJ065075	GTKKMRY 	C38H66N12O10S	882.4746	NA	PeJP	NA	NA
+PJ065076	APPVKWW 	C46H62N10O8	882.4752	NA	PeJP	NA	NA
+PJ065077	GPPLKWW 	C46H62N10O8	882.4753	NA	PeJP	NA	NA
+PJ065078	SPPDRRR 	C35H62N16O11	882.4784	NA	PeJP	NA	NA
+PJ065079	GGGGPVQRR 	C35H62N16O11	882.4785	NA	PeJP	NA	NA
+PJ065080	KKKMYW 	C43H66N10O8S	882.4786	NA	PeJP	NA	NA
+PJ065081	STKKKEY 	C39H66N10O13	882.4811	NA	PeJP	NA	NA
+PJ065082	AKKKMMF 	C40H70N10O8S2	882.482	NA	PeJP	NA	NA
+PJ065083	APPTRRW 	C40H62N14O9	882.4825	NA	PeJP	NA	NA
+PJ065084	CHRRRR 	C33H62N20O7S	882.4832	NA	PeJP	NA	NA
+PJ065085	SPLLKYY 	C44H66N8O11	882.4851	NA	PeJP	NA	NA
+PJ065086	PPPVVVEF 	C44H66N8O11	882.4852	NA	PeJP	NA	NA
+PJ065087	PPVQMRR 	C37H66N14O9S	882.4858	NA	PeJP	NA	NA
+PJ065088	VKKHWW 	C45H62N12O7	882.4865	NA	PeJP	NA	NA
+PJ065089	APPLLLEM 	C41H70N8O11S	882.4885	NA	PeJP	NA	NA
+PJ065090	GTTHRRR 	C34H62N18O10	882.4897	NA	PeJP	NA	NA
+PJ065091	STTKKRY 	C38H66N12O12	882.4923	NA	PeJP	NA	NA
+PJ065092	PPKKEER 	C38H66N12O12	882.4924	NA	PeJP	NA	NA
+PJ065093	TKHRRW 	C39H62N16O8	882.4937	NA	PeJP	NA	NA
+7705	pyrokinin TENMO-PK-2	SPPFAPRL~	882.494	antioxidative	Inhouse_peptide	NA	peptide
+PJ065094	TTLLLHW 	C43H66N10O10	882.4964	NA	PeJP	NA	NA
+PJ065095	APPMRRR 	C36H66N16O8S	882.4971	NA	PeJP	NA	NA
+MJ096824	3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096825	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Ribopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096826	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096827	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096828	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096829	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096830	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-xylopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096831	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096832	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096833	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096834	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096835	Jujubogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096836	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096837	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096838	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096839	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096840	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096841	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H74O16	882.497686	NA	MeJP	NA	NA
+MJ096842	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranoside], 28-O-?-D-xylopyranosyl ester 	C46H74O16	882.497686	NA	MeJP	NA	NA
+PJ065096	SVKKKMY 	C40H70N10O10S	882.4997	NA	PeJP	NA	NA
+PJ065097	LLLKEMH 	C40H70N10O10S	882.4998	NA	PeJP	NA	NA
+MJ096843	Silenin B 	C48H66N8O8	882.500361	NA	MeJP	NA	NA
+PJ065098	PVVKFFF 	C48H66N8O8	882.5004	NA	PeJP	NA	NA
+MJ096844	Spirodihydrobenzofuranlactam VI 	C52H70N2O10	882.503046	NA	MeJP	NA	NA
+MJ096845	Stachybocin A 	C52H70N2O10	882.503046	NA	MeJP	NA	NA
+PJ065099	PPTKERR 	C37H66N14O11	882.5036	NA	PeJP	NA	NA
+PJ065100	VVLKMFF 	C45H70N8O8S	882.5038	NA	PeJP	NA	NA
+PJ065101	GPLLLLEE 	C41H70N8O13	882.5063	NA	PeJP	NA	NA
+PJ065102	SPPLKRW 	C42H66N12O9	882.5076	NA	PeJP	NA	NA
+PJ065103	KMHRRR 	C35H66N18O7S	882.5083	NA	PeJP	NA	NA
+PJ065104	TLLLMHR 	C39H70N12O9S	882.511	NA	PeJP	NA	NA
+PJ065105	KKKFFW 	C47H66N10O7	882.5116	NA	PeJP	NA	NA
+PJ065106	GPLERRR 	C36H66N16O10	882.5148	NA	PeJP	NA	NA
+PJ065107	SSTLLLLH 	C40H70N10O12	882.5175	NA	PeJP	NA	NA
+PJ065108	APKKHFR 	C41H66N14O8	882.5188	NA	PeJP	NA	NA
+PJ065109	GPVLRRW 	C41H66N14O8	882.5189	NA	PeJP	NA	NA
+PJ065110	PLLLLEW 	C45H70N8O10	882.5215	NA	PeJP	NA	NA
+PJ065111	PPVKMRR 	C38H70N14O8S	882.5222	NA	PeJP	NA	NA
+PJ065112	SPPLLLLM 	C42H74N8O10S	882.5249	NA	PeJP	NA	NA
+PJ065113	GPNKRRR 	C35H66N18O9	882.5261	NA	PeJP	NA	NA
+PJ065114	PLLQKER 	C39H70N12O11	882.5287	NA	PeJP	NA	NA
+PJ065115	GAPLLKER 	C39H70N12O11	882.5288	NA	PeJP	NA	NA
+PJ065116	PLRRRW 	C40H66N16O7	882.5301	NA	PeJP	NA	NA
+PJ065117	PVLLQKW 	C44H70N10O9	882.5328	NA	PeJP	NA	NA
+PJ065118	GPPLLKKM 	C41H74N10O9S	882.5361	NA	PeJP	NA	NA
+PJ065119	PVVKERR 	C38H70N14O10	882.54	NA	PeJP	NA	NA
+PJ065120	SPVLLLLE 	C42H74N8O12	882.5427	NA	PeJP	NA	NA
+PJ065121	APLLKRW 	C43H70N12O8	882.544	NA	PeJP	NA	NA
+PJ065122	VLKKKMH 	C40H74N12O8S	882.5474	NA	PeJP	NA	NA
+PJ065123	SPVLRRR 	C37H70N16O9	882.5512	NA	PeJP	NA	NA
+MJ096846	4,4-Dimethyl-24,28-epoxyergosta-8,14-diene-2,3,11,12,25-pentol, 14,15-Dihydro, 2-O-(16-hydroxyhexadecanoyl), 12-Ac, 3-O-sulfate 	C48H82O12S	882.552698	NA	MeJP	NA	NA
+MJ096847	Antibiotic KT 6291; Antibiotic KT 6291A 	C41H74N10O11	882.553853	NA	MeJP	NA	NA
+MJ096848	Antibiotic LI-F; Antibiotic LI-F04A 	C41H74N10O11	882.553853	NA	MeJP	NA	NA
+MJ096849	Rubellidin 4.2 	C41H74N10O11	882.553853	NA	MeJP	NA	NA
+PJ065124	GPVLLKKE 	C41H74N10O11	882.5539	NA	PeJP	NA	NA
+PJ065125	APPLLLLF 	C46H74N8O9	882.5579	NA	PeJP	NA	NA
+PJ065126	APLLLLLM 	C43H78N8O9S	882.5613	NA	PeJP	NA	NA
+PJ065127	PLLKKER 	C40H74N12O10	882.5651	NA	PeJP	NA	NA
+PJ065128	PVLLKKW 	C45H74N10O8	882.5692	NA	PeJP	NA	NA
+PJ065129	PTLLKRR 	C39H74N14O9	882.5764	NA	PeJP	NA	NA
+PJ065130	VVVVLLLE 	C43H78N8O11	882.579	NA	PeJP	NA	NA
+PJ065131	GLLLLLLE 	C43H78N8O11	882.5791	NA	PeJP	NA	NA
+PJ065132	GLLLRRR 	C38H74N16O8	882.5876	NA	PeJP	NA	NA
+PJ065133	APTLLLKK 	C42H78N10O10	882.5903	NA	PeJP	NA	NA
+PJ065134	LLLLLLW 	C47H78N8O8	882.5943	NA	PeJP	NA	NA
+PJ065135	LLLLQKR 	C41H78N12O9	882.6015	NA	PeJP	NA	NA
+PJ065136	VVLLKRR 	C40H78N14O8	882.6127	NA	PeJP	NA	NA
+PJ065137	SVLLLLLL 	C44H82N8O10	882.6154	NA	PeJP	NA	NA
+PJ065138	GVLLLLKK 	C43H82N10O9	882.6267	NA	PeJP	NA	NA
+C15952	Thermocryptoxanthin-11	C57H86O7	882.6374	NA	KEGG	NA	NA
+PJ065139	LLLLKKR 	C42H82N12O8	882.6379	NA	PeJP	NA	NA
+MJ096850	13-Hydroxyingenol; 3-O-(2,3-Dimethylbutanoyl), 13-O-dodecanoyl, 20-O-hexadecanoyl 	C54H90O9	882.658484	NA	MeJP	NA	NA
+MJ096851	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 1-O-?-Glucopyranoside 	C51H94O11	882.679613	NA	MeJP	NA	NA
+HMDB05370	TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB05411	TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB05445	TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB05455	TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB10456	TG(18:1(9Z)/18:0/18:3(9Z,12Z,15Z))[iso6]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB10458	TG(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))[iso6]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB10474	TG(18:2(9Z,12Z)/16:0/20:2(11Z,14Z))[iso6]	C57H102O6	882.767639	NA	HMDB2010	NA	NA
+HMDB05370	TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H102O6	882.76764	http://www.hmdb.ca/metabolites/HMDB05370	HMDB	NA	NA
+HMDB05411	TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C57H102O6	882.76764	http://www.hmdb.ca/metabolites/HMDB05411	HMDB	NA	NA
+HMDB05445	TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	C57H102O6	882.76764	http://www.hmdb.ca/metabolites/HMDB05445	HMDB	NA	NA
+HMDB05455	TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3]	C57H102O6	882.76764	http://www.hmdb.ca/metabolites/HMDB05455	HMDB	NA	NA
+HMDB05370	TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C57H102O6	882.76764	HMDB05370	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05411	TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]	C57H102O6	882.76764	HMDB05411	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05445	TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	C57H102O6	882.76764	HMDB05445	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05455	TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3]	C57H102O6	882.76764	HMDB05455	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01021	Malyl-CoA	C25H40N7O20P3S	883.12616	http://www.hmdb.ca/metabolites/HMDB01021	HMDB	NA	NA
+HMDB01021	Malyl-CoA	C25H40N7O20P3S	883.12616	HMDB01021	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01021	Malyl-CoA	C25H40N7O20P3S	883.12616	NA	HMDB2010	NA	NA
+MJ096852	(3S)-3-Carboxy-3-hydroxypropanoyl-CoA 	C25H40N7O20P3S	883.126167	NA	MeJP	NA	NA
+MetaCyc04238	malyl-CoA [(3S)-3-Carboxy-3-hydroxypropionyl-CoA;(3S)-3-Carboxy-3-hydroxypropanoyl-CoA;]	C25H40N7O20P3S1	883.126167	NA	metacyc	NA	NA
+C04348	(3S)-3-Carboxy-3-hydroxypropanoyl-CoA	C25H40N7O20P3S	883.1262	NA	KEGG	NA	NA
+PJ065140	GSCCCCCCC 	C26H45N9O11S7	883.1284	NA	PeJP	NA	NA
+PJ065141	SCCCCNDH 	C29H45N11O13S4	883.2082	NA	PeJP	NA	NA
+PJ065142	PCCCNDDD 	C30H45N9O16S3	883.2147	NA	PeJP	NA	NA
+PJ065143	CCCDDYY 	C35H45N7O14S3	883.2187	NA	PeJP	NA	NA
+PJ065144	CCCMMMY 	C33H53N7O9S6	883.2229	NA	PeJP	NA	NA
+PJ065145	GCCCCQMH 	C30H49N11O10S5	883.2268	NA	PeJP	NA	NA
+PJ065146	GCNDDDDM 	C30H45N9O18S2	883.2324	NA	PeJP	NA	NA
+PJ065147	GGGCDDDDM 	C30H45N9O18S2	883.2325	NA	PeJP	NA	NA
+PJ065148	GSPPCCCCD 	C31H49N9O13S4	883.2333	NA	PeJP	NA	NA
+PJ065149	CCCDMFY 	C36H49N7O11S4	883.2373	NA	PeJP	NA	NA
+PJ065150	GCCCCCHR 	C29H49N13O9S5	883.238	NA	PeJP	NA	NA
+PJ065151	SCCNNNDD 	C29H45N11O17S2	883.2437	NA	PeJP	NA	NA
+PJ065152	SSCCCNMH 	C30H49N11O12S4	883.2445	NA	PeJP	NA	NA
+PJ065153	GGGGPCCCCQ 	C30H49N11O12S4	883.2446	NA	PeJP	NA	NA
+PJ065154	CCNDDEW 	C34H45N9O15S2	883.2477	NA	PeJP	NA	NA
+PJ065155	SSCNDDDE 	C30H45N9O20S	883.2502	NA	PeJP	NA	NA
+PJ065156	SPCCNDDM 	C31H49N9O15S3	883.2511	NA	PeJP	NA	NA
+PJ065157	CCEMMMH 	C32H53N9O10S5	883.2519	NA	PeJP	NA	NA
+PJ065158	SCCDMYY 	C36H49N7O13S3	883.2551	NA	PeJP	NA	NA
+PJ065159	CCCMMFF 	C37H53N7O8S5	883.256	NA	PeJP	NA	NA
+PJ065160	DDDEEMM 	C32H49N7O18S2	883.2576	NA	PeJP	NA	NA
+PJ065161	GSSSTCCCH 	C30H49N11O14S3	883.2623	NA	PeJP	NA	NA
+PJ065162	GCCDDWW 	C38H45N9O12S2	883.263	NA	PeJP	NA	NA
+PJ065163	PPCCCCCR 	C31H53N11O9S5	883.2632	NA	PeJP	NA	NA
+PJ065164	GSSCDDDW 	C34H45N9O17S	883.2655	NA	PeJP	NA	NA
+PJ065165	GSPCCCEW 	C35H49N9O12S3	883.2663	NA	PeJP	NA	NA
+PJ065166	GSSSSDDDD 	C30H45N9O22	883.268	NA	PeJP	NA	NA
+PJ065167	GSNDDDMM 	C31H49N9O17S2	883.2688	NA	PeJP	NA	NA
+PJ065168	GPCCNEMM 	C32H53N9O12S4	883.2697	NA	PeJP	NA	NA
+PJ065169	CCCDFFF 	C40H49N7O10S3	883.2703	NA	PeJP	NA	NA
+PJ065170	DDDDEEF 	C35H45N7O20	883.272	NA	PeJP	NA	NA
+PJ065171	GCCCNNDR 	C29H49N13O13S3	883.2735	NA	PeJP	NA	NA
+PJ065172	GGGGGCCCDR 	C29H49N13O13S3	883.2736	NA	PeJP	NA	NA
+PJ065173	ACCMMYY 	C37H53N7O10S4	883.2737	NA	PeJP	NA	NA
+PJ065174	DDDDMHH 	C33H45N11O16S	883.2767	NA	PeJP	NA	NA
+PJ065175	CCNNNMW 	C34H49N11O11S3	883.2775	NA	PeJP	NA	NA
+PJ065176	GGCCNNMW 	C34H49N11O11S3	883.2776	NA	PeJP	NA	NA
+PJ065177	SSSSSSCCH 	C30H49N11O16S2	883.28	NA	PeJP	NA	NA
+PJ065178	GSCCDDER 	C30H49N11O16S2	883.2801	NA	PeJP	NA	NA
+PJ065179	GPCCCDMR 	C31H53N11O11S4	883.2809	NA	PeJP	NA	NA
+PJ065180	SPCCCWW 	C39H49N9O9S3	883.2816	NA	PeJP	NA	NA
+PJ065181	NNDDDEY 	C34H45N9O19	883.2832	NA	PeJP	NA	NA
+PJ065182	SCNDEMW 	C35H49N9O14S2	883.2841	NA	PeJP	NA	NA
+PJ065183	PCCNMMW 	C36H53N9O9S4	883.2849	NA	PeJP	NA	NA
+PJ065184	GGPCCMMW 	C36H53N9O9S4	883.285	NA	PeJP	NA	NA
+PJ065185	SSSNDDEM 	C31H49N9O19S	883.2866	NA	PeJP	NA	NA
+PJ065186	NNDEMMM 	C32H53N9O14S3	883.2874	NA	PeJP	NA	NA
+PJ065187	GGNDEMMM 	C32H53N9O14S3	883.2875	NA	PeJP	NA	NA
+PJ065188	GSCNDDHH 	C32H45N13O15S	883.2879	NA	PeJP	NA	NA
+PJ065189	GCCEFYY 	C40H49N7O12S2	883.2881	NA	PeJP	NA	NA
+PJ065190	TCMMMMH 	C33H57N9O9S5	883.2883	NA	PeJP	NA	NA
+PJ065191	GPCCCQHH 	C33H49N13O10S3	883.2888	NA	PeJP	NA	NA
+MJ096853	Perdeacylhypoglaunine; 1-Benzoyl, 2,6,8,9,14-penta-Ac 	C43H49NO19	883.289878	NA	MeJP	NA	NA
+MJ096854	Perdeacylhypoglaunine; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO19	883.289878	NA	MeJP	NA	NA
+MJ096855	Perdeacylisowilfordine; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO19	883.289878	NA	MeJP	NA	NA
+MJ096856	Perdeacylwilfortrine; 2-Benzoyl, 1,6,8,9,14-penta-Ac 	C43H49NO19	883.289878	NA	MeJP	NA	NA
+MJ096857	Perdeacylwilfortrine; 26-Benzoyl, 1,2,8,9,14-penta-Ac 	C43H49NO19	883.289878	NA	MeJP	NA	NA
+C09992	Wilfordine	C43H49NO19	883.2899	NA	KEGG	NA	NA
+PJ065192	PDDDEMY 	C36H49N7O17S	883.2906	NA	PeJP	NA	NA
+PJ065193	SSCMMYY 	C37H53N7O12S3	883.2915	NA	PeJP	NA	NA
+PJ065194	SEEEEMM 	C33H53N7O17S2	883.294	NA	PeJP	NA	NA
+PJ065195	GPNDDDDH 	C33H45N11O18	883.2945	NA	PeJP	NA	NA
+PJ065196	PDEMMMM 	C34H57N7O12S4	883.2948	NA	PeJP	NA	NA
+PJ065197	SCCDDRW 	C34H49N11O13S2	883.2953	NA	PeJP	NA	NA
+PJ065198	SSSCDDDR 	C30H49N11O18S	883.2978	NA	PeJP	NA	NA
+PJ065199	GNDDDYW 	C38H45N9O16	883.2985	NA	PeJP	NA	NA
+PJ065200	CNDDMMR 	C31H53N11O13S3	883.2987	NA	PeJP	NA	NA
+PJ065201	GSCDMWW 	C39H49N9O11S2	883.2993	NA	PeJP	NA	NA
+PJ065202	GSSSDDMW 	C35H49N9O16S	883.3018	NA	PeJP	NA	NA
+PJ065203	GGGGDDEMF 	C35H49N9O16S	883.3019	NA	PeJP	NA	NA
+PJ065204	GNDMMMW 	C36H53N9O11S3	883.3027	NA	PeJP	NA	NA
+PJ065205	CCFYYW 	C44H49N7O9S2	883.3033	NA	PeJP	NA	NA
+PJ065206	GSSSSSDEE 	C31H49N9O21	883.3043	NA	PeJP	NA	NA
+PJ065207	GSSNEEMM 	C32H53N9O16S2	883.3052	NA	PeJP	NA	NA
+PJ065208	GSCEYYY 	C40H49N7O14S	883.3058	NA	PeJP	NA	NA
+PJ065209	GSPCQMMM 	C33H57N9O11S4	883.3061	NA	PeJP	NA	NA
+PJ065210	CNNEMHH 	C33H49N13O12S2	883.3065	NA	PeJP	NA	NA
+PJ065211	GGCNEMHH 	C33H49N13O12S2	883.3066	NA	PeJP	NA	NA
+PJ065212	ACCMFFY 	C41H53N7O9S3	883.3067	NA	PeJP	NA	NA
+PJ065213	GEEEEEY 	C36H49N7O19	883.3084	NA	PeJP	NA	NA
+PJ065214	PDDEMMF 	C37H53N7O14S2	883.3092	NA	PeJP	NA	NA
+PJ065215	CCCDERR 	C30H53N13O12S3	883.3099	NA	PeJP	NA	NA
+PJ065216	CCNNHFF 	C38H49N11O10S2	883.3106	NA	PeJP	NA	NA
+PJ065217	VDEEMMM 	C34H57N7O14S3	883.3126	NA	PeJP	NA	NA
+PJ065218	SSSSCNNW 	C34H49N11O15S	883.3131	NA	PeJP	NA	NA
+PJ065219	GCCEMRW 	C35H53N11O10S3	883.3139	NA	PeJP	NA	NA
+PJ065220	GGGACCCKW 	C35H53N11O10S3	883.314	NA	PeJP	NA	NA
+PJ065221	TCCWWW 	C43H49N9O8S2	883.3146	NA	PeJP	NA	NA
+PJ065222	SSSSSSNND 	C30H49N11O20	883.3156	NA	PeJP	NA	NA
+PJ065223	GSSCDEMR 	C31H53N11O15S2	883.3164	NA	PeJP	NA	NA
+PJ065224	GGGGGGSSSMM 	C31H53N11O15S2	883.3165	NA	PeJP	NA	NA
+PJ065225	SSSCEWW 	C39H49N9O13S	883.3171	NA	PeJP	NA	NA
+PJ065226	GSPCCMMR 	C32H57N11O10S4	883.3173	NA	PeJP	NA	NA
+PJ065227	CCNDHHR 	C32H49N15O11S2	883.3178	NA	PeJP	NA	NA
+PJ065228	CQMMWW 	C40H53N9O8S3	883.318	NA	PeJP	NA	NA
+PJ065229	SSSSSDEW 	C35H49N9O18	883.3196	NA	PeJP	NA	NA
+PJ065230	SSNEMMW 	C36H53N9O13S2	883.3205	NA	PeJP	NA	NA
+PJ065231	SCYYYW 	C44H49N7O11S	883.3211	NA	PeJP	NA	NA
+PJ065232	GMMMMHF 	C37H57N9O8S4	883.3213	NA	PeJP	NA	NA
+PJ065233	GCNMHHW 	C37H49N13O9S2	883.3218	NA	PeJP	NA	NA
+PJ065234	SSSSSSPDM 	C32H53N9O18S	883.3229	NA	PeJP	NA	NA
+PJ065235	SSSSQEEM 	C32H53N9O18S	883.323	NA	PeJP	NA	NA
+PJ065236	EEEEYW 	C40H49N7O16	883.3236	NA	PeJP	NA	NA
+PJ065237	SQQEMMM 	C33H57N9O13S3	883.3238	NA	PeJP	NA	NA
+PJ065238	GSSNDMHH 	C33H49N13O14S	883.3243	NA	PeJP	NA	NA
+PJ065239	NMMYYY 	C41H53N7O11S2	883.3245	NA	PeJP	NA	NA
+PJ065240	GPCCCKHH 	C34H53N13O9S3	883.3252	NA	PeJP	NA	NA
+PJ065241	SPEEEMY 	C37H53N7O16S	883.327	NA	PeJP	NA	NA
+PJ065242	SSSCCNQR 	C30H53N13O14S2	883.3277	NA	PeJP	NA	NA
+PJ065243	PPDMMMY 	C38H57N7O11S3	883.3278	NA	PeJP	NA	NA
+PJ065244	GCNNQYW 	C38H49N11O12S	883.3283	NA	PeJP	NA	NA
+PJ065245	CCMRWW 	C39H53N11O7S3	883.3292	NA	PeJP	NA	NA
+PJ065246	SNDDDRY 	C34H49N11O17	883.3308	NA	PeJP	NA	NA
+PJ065247	SSCDMRW 	C35H53N11O12S2	883.3317	NA	PeJP	NA	NA
+PJ065248	SDDHHHH 	C35H45N15O13	883.3322	NA	PeJP	NA	NA
+PJ065249	CNEFWW 	C43H49N9O10S	883.3323	NA	PeJP	NA	NA
+PJ065250	SSSSDDMR 	C31H53N11O17S	883.3342	NA	PeJP	NA	NA
+PJ065251	GSNEEYW 	C39H49N9O15	883.3348	NA	PeJP	NA	NA
+PJ065252	GGGSEEYW 	C39H49N9O15	883.3349	NA	PeJP	NA	NA
+PJ065253	SNDMMMR 	C32H57N11O12S3	883.3351	NA	PeJP	NA	NA
+PJ065254	GSSMMWW 	C40H53N9O10S2	883.3357	NA	PeJP	NA	NA
+PJ065255	GSSSTEMW 	C36H53N9O15S	883.3382	NA	PeJP	NA	NA
+PJ065256	NDFYYY 	C44H49N7O13	883.3389	NA	PeJP	NA	NA
+PJ065257	GTQMMMW 	C37H57N9O10S3	883.3391	NA	PeJP	NA	NA
+PJ065258	SSCQHHW 	C37H49N13O11S	883.3396	NA	PeJP	NA	NA
+PJ065259	ACCFFFF 	C45H53N7O8S2	883.3397	NA	PeJP	NA	NA
+PJ065260	GSSSSTTEE 	C32H53N9O20	883.3407	NA	PeJP	NA	NA
+PJ065261	GSSDKEMM 	C33H57N9O15S2	883.3416	NA	PeJP	NA	NA
+PJ065262	SSSSNEHH 	C33H49N13O16	883.3421	NA	PeJP	NA	NA
+PJ065263	GSTMYYY 	C41H53N7O13S	883.3422	NA	PeJP	NA	NA
+PJ065264	VNQMMMM 	C34H61N9O10S4	883.3424	NA	PeJP	NA	NA
+PJ065265	GGVQMMMM 	C34H61N9O10S4	883.3425	NA	PeJP	NA	NA
+PJ065266	CCNNQFR 	C34H53N13O11S2	883.3429	NA	PeJP	NA	NA
+PJ065267	GGGGGACCFR 	C34H53N13O11S2	883.343	NA	PeJP	NA	NA
+PJ065268	SVEEEEY 	C37H53N7O18	883.3447	NA	PeJP	NA	NA
+PJ065269	GSSSSSCNR 	C30H53N13O16S	883.3454	NA	PeJP	NA	NA
+PJ065270	PVDEMMY 	C38H57N7O13S2	883.3456	NA	PeJP	NA	NA
+PJ065271	SSNNNYW 	C38H49N11O14	883.3461	NA	PeJP	NA	NA
+PJ065272	SCCEMRR 	C31H57N13O11S3	883.3463	NA	PeJP	NA	NA
+PJ065273	PPMMMMF 	C39H61N7O8S4	883.3465	NA	PeJP	NA	NA
+PJ065274	GPCCRYW 	C39H53N11O9S2	883.347	NA	PeJP	NA	NA
+PJ065275	GCFWWW 	C47H49N9O7S	883.3476	NA	PeJP	NA	NA
+PJ065276	TLEEMMM 	C35H61N7O13S3	883.349	NA	PeJP	NA	NA
+PJ065277	SNNQQMY 	C35H53N11O14S	883.3494	NA	PeJP	NA	NA
+PJ065278	GNDEMRY 	C35H53N11O14S	883.3495	NA	PeJP	NA	NA
+PJ065279	PLMMMMM 	C36H65N7O8S5	883.3499	NA	PeJP	NA	NA
+PJ065280	SNEYWW 	C43H49N9O12	883.3501	NA	PeJP	NA	NA
+PJ065281	GTCMMRW 	C36H57N11O9S3	883.3503	NA	PeJP	NA	NA
+PJ065282	GEMHHHH 	C36H49N15O10S	883.3508	NA	PeJP	NA	NA
+PJ065283	SSSSSSSQQ 	C31H53N11O19	883.3519	NA	PeJP	NA	NA
+PJ065284	GGGGSSSSSTT 	C31H53N11O19	883.352	NA	PeJP	NA	NA
+PJ065285	GSSSEMMR 	C32H57N11O14S2	883.3528	NA	PeJP	NA	NA
+PJ065286	NNNDDHR 	C32H49N15O15	883.3533	NA	PeJP	NA	NA
+PJ065287	SSSTMWW 	C40H53N9O12S	883.3535	NA	PeJP	NA	NA
+PJ065288	GQMMMMR 	C33H61N11O9S4	883.3537	NA	PeJP	NA	NA
+PJ065289	SCNMHHR 	C33H53N15O10S2	883.3542	NA	PeJP	NA	NA
+PJ065290	CKMMWW 	C41H57N9O7S3	883.3543	NA	PeJP	NA	NA
+PJ065291	GCHHHFF 	C41H49N13O8S	883.3548	NA	PeJP	NA	NA
+PJ065292	SSSSTTEW 	C36H53N9O17	883.356	NA	PeJP	NA	NA
+PJ065293	SSDKMMW 	C37H57N9O12S2	883.3568	NA	PeJP	NA	NA
+PJ065294	GGGAPTMMY 	C37H57N9O12S2	883.3569	NA	PeJP	NA	NA
+PJ065295	GSSSSHHW 	C37H49N13O13	883.3573	NA	PeJP	NA	NA
+PJ065296	NMFFYY 	C45H53N7O10S	883.3575	NA	PeJP	NA	NA
+PJ065297	ACCKHHW 	C38H53N13O8S2	883.3582	NA	PeJP	NA	NA
+PJ065298	SSSSKEEM 	C33H57N9O17S	883.3593	NA	PeJP	NA	NA
+PJ065299	SSTTYYY 	C41H53N7O15	883.36	NA	PeJP	NA	NA
+PJ065300	SQKEMMM 	C34H61N9O12S3	883.3602	NA	PeJP	NA	NA
+PJ065301	GCDDRRY 	C34H53N13O13S	883.3607	NA	PeJP	NA	NA
+PJ065302	PPDMMFF 	C42H57N7O10S2	883.3609	NA	PeJP	NA	NA
+PJ065303	GSPDHWW 	C42H49N11O11	883.3613	NA	PeJP	NA	NA
+PJ065304	PCCCFRR 	C35H57N13O8S3	883.3616	NA	PeJP	NA	NA
+PJ065305	ALEEEMY 	C38H57N7O15S	883.3634	NA	PeJP	NA	NA
+PJ065306	SSSCCNKR 	C31H57N13O13S2	883.364	NA	PeJP	NA	NA
+PJ065307	GGSSSCCKR 	C31H57N13O13S2	883.3641	NA	PeJP	NA	NA
+PJ065308	PVEMMMF 	C39H61N7O10S3	883.3642	NA	PeJP	NA	NA
+PJ065309	NDMRYW 	C39H53N11O11S	883.3647	NA	PeJP	NA	NA
+PJ065310	GCMMMRR 	C32H61N13O8S4	883.3649	NA	PeJP	NA	NA
+PJ065311	GSYWWW 	C47H49N9O9	883.3654	NA	PeJP	NA	NA
+PJ065312	MHHHHW 	C40H49N15O7S	883.3661	NA	PeJP	NA	NA
+PJ065313	SSNEERY 	C35H53N11O16	883.3672	NA	PeJP	NA	NA
+PJ065314	VLEMMMM 	C36H65N7O10S4	883.3676	NA	PeJP	NA	NA
+PJ065315	SSSMMRW 	C36H57N11O11S2	883.3681	NA	PeJP	NA	NA
+PJ065316	STEHHHH 	C36H49N15O12	883.3686	NA	PeJP	NA	NA
+PJ065317	AQMYWW 	C44H53N9O9S	883.3687	NA	PeJP	NA	NA
+PJ065318	SSSSTEMR 	C32H57N11O16S	883.3706	NA	PeJP	NA	NA
+PJ065319	GSDKEYW 	C40H53N9O14	883.3712	NA	PeJP	NA	NA
+PJ065320	GGGAAEEFF 	C40H53N9O14	883.3713	NA	PeJP	NA	NA
+PJ065321	STQMMMR 	C33H61N11O11S3	883.3714	NA	PeJP	NA	NA
+PJ065322	GGTTMMMR 	C33H61N11O11S3	883.3715	NA	PeJP	NA	NA
+PJ065323	GSSTCHHR 	C33H53N15O12S	883.3719	NA	PeJP	NA	NA
+PJ065324	GPCKMYW 	C41H57N9O9S2	883.3721	NA	PeJP	NA	NA
+PJ065325	NNQHWW 	C41H49N13O10	883.3726	NA	PeJP	NA	NA
+PJ065326	SSSSSLMW 	C37H57N9O14S	883.3746	NA	PeJP	NA	NA
+PJ065327	VNYYYY 	C45H53N7O12	883.3752	NA	PeJP	NA	NA
+MJ096858	Yakusimycin B 	C45H53N7O12	883.37522	NA	MeJP	NA	NA
+PJ065328	PPDDFFF 	C45H53N7O12	883.3753	NA	PeJP	NA	NA
+PJ065329	GTKMMMW 	C38H61N9O9S3	883.3755	NA	PeJP	NA	NA
+PJ065330	GPCEHRW 	C38H53N13O10S	883.3759	NA	PeJP	NA	NA
+PJ065331	GGAQMHHF 	C38H53N13O10S	883.376	NA	PeJP	NA	NA
+PJ065332	SSSSSSTLE 	C33H57N9O19	883.3771	NA	PeJP	NA	NA
+PJ065333	GSTTKEMM 	C34H61N9O14S2	883.378	NA	PeJP	NA	NA
+PJ065334	GSSSNNRY 	C34H53N13O15	883.3784	NA	PeJP	NA	NA
+PJ065335	GGGGGSSSRY 	C34H53N13O15	883.3785	NA	PeJP	NA	NA
+PJ065336	PPVDMYY 	C42H57N7O12S	883.3786	NA	PeJP	NA	NA
+PJ065337	VNKMMMM 	C35H65N9O9S4	883.3788	NA	PeJP	NA	NA
+PJ065338	GGVKMMMM 	C35H65N9O9S4	883.3789	NA	PeJP	NA	NA
+PJ065339	SPCCRRY 	C35H57N13O10S2	883.3793	NA	PeJP	NA	NA
+PJ065340	ACRYWW 	C43H53N11O8S	883.38	NA	PeJP	NA	NA
+PJ065341	TTLEEEY 	C38H57N7O17	883.3811	NA	PeJP	NA	NA
+PJ065342	PTLEMMY 	C39H61N7O12S2	883.382	NA	PeJP	NA	NA
+PJ065343	GSSERYW 	C39H53N11O13	883.3825	NA	PeJP	NA	NA
+PJ065344	STCMMRR 	C32H61N13O10S3	883.3827	NA	PeJP	NA	NA
+PJ065345	NMMFRW 	C40H57N11O8S2	883.3833	NA	PeJP	NA	NA
+PJ065346	GPNHHHW 	C40H49N15O9	883.3838	NA	PeJP	NA	NA
+PJ065347	GTQEMRY 	C36H57N11O13S	883.3858	NA	PeJP	NA	NA
+PJ065348	GGGGGGTKMY 	C36H57N11O13S	883.3859	NA	PeJP	NA	NA
+PJ065349	SDKYWW 	C44H53N9O11	883.3865	NA	PeJP	NA	NA
+PJ065350	PCCKMFR 	C37H61N11O8S3	883.3867	NA	PeJP	NA	NA
+PJ065351	GCQHHFR 	C37H53N15O9S	883.3872	NA	PeJP	NA	NA
+PJ065352	SSSSSSSQK 	C32H57N11O18	883.3883	NA	PeJP	NA	NA
+PJ065353	GSTTTMMR 	C33H61N11O13S2	883.3892	NA	PeJP	NA	NA
+PJ065354	GDDEHRR 	C33H53N15O14	883.3897	NA	PeJP	NA	NA
+PJ065355	QKEMYW 	C41H57N9O11S	883.3899	NA	PeJP	NA	NA
+PJ065356	GKMMMMR 	C34H65N11O8S4	883.3901	NA	PeJP	NA	NA
+PJ065357	NFFFFY 	C49H53N7O9	883.3905	NA	PeJP	NA	NA
+PJ065358	TCCKHHR 	C34H57N15O9S2	883.3906	NA	PeJP	NA	NA
+PJ065359	PCHRWW 	C42H53N13O7S	883.3912	NA	PeJP	NA	NA
+PJ065360	SSTTTTTW 	C37H57N9O16	883.3923	NA	PeJP	NA	NA
+MJ096859	Vinzolidine 	C48H58ClN5O9	883.392306	NA	MeJP	NA	NA
+PJ065361	STQKEEY 	C37H57N9O16	883.3924	NA	PeJP	NA	NA
+PJ065362	STTKMMW 	C38H61N9O11S2	883.3932	NA	PeJP	NA	NA
+PJ065363	QEEHRW 	C38H53N13O12	883.3937	NA	PeJP	NA	NA
+PJ065364	SSTTTKEM 	C34H61N9O16S	883.3957	NA	PeJP	NA	NA
+PJ065365	APLEEYY 	C42H57N7O14	883.3964	NA	PeJP	NA	NA
+PJ065366	SKKEMMM 	C35H65N9O11S3	883.3966	NA	PeJP	NA	NA
+PJ065367	GSDMRRY 	C35H57N13O12S	883.3971	NA	PeJP	NA	NA
+PJ065368	PPVMMFY 	C43H61N7O9S2	883.3973	NA	PeJP	NA	NA
+PJ065369	SSRYWW 	C43H53N11O10	883.3977	NA	PeJP	NA	NA
+PJ065370	SLLEEMY 	C39H61N7O14S	883.3998	NA	PeJP	NA	NA
+PJ065371	PVLMMMY 	C40H65N7O9S3	883.4006	NA	PeJP	NA	NA
+PJ065372	TQMRYW 	C40H57N11O10S	883.4011	NA	PeJP	NA	NA
+PJ065373	AQFFWW 	C48H53N9O8	883.4017	NA	PeJP	NA	NA
+PJ065374	GAAFFWW 	C48H53N9O8	883.4018	NA	PeJP	NA	NA
+PJ065375	SSDKERY 	C36H57N11O15	883.4036	NA	PeJP	NA	NA
+PJ065376	GVQMMRY 	C37H61N11O10S2	883.4045	NA	PeJP	NA	NA
+PJ065377	DDHRRW 	C37H53N15O11	883.4049	NA	PeJP	NA	NA
+PJ065378	GGGGGTHRW 	C37H53N15O11	883.405	NA	PeJP	NA	NA
+PJ065379	AKMYWW 	C45H57N9O8S	883.4051	NA	PeJP	NA	NA
+PJ065380	SSTTTTMR 	C33H61N11O15S	883.407	NA	PeJP	NA	NA
+PJ065381	GTTKEYW 	C41H57N9O13	883.4076	NA	PeJP	NA	NA
+PJ065382	STKMMMR 	C34H65N11O10S3	883.4078	NA	PeJP	NA	NA
+PJ065383	SPCEHRR 	C34H57N15O11S	883.4083	NA	PeJP	NA	NA
+PJ065384	AAKMMFW 	C42H61N9O8S2	883.4085	NA	PeJP	NA	NA
+PJ065385	AEHRWW 	C42H53N13O9	883.409	NA	PeJP	NA	NA
+PJ065386	GKKEEMY 	C38H61N9O13S	883.411	NA	PeJP	NA	NA
+PJ065387	TKFYYY 	C46H57N7O11	883.4116	NA	PeJP	NA	NA
+PJ065388	PCKKMMF 	C39H65N9O8S3	883.4119	NA	PeJP	NA	NA
+PJ065389	TCRRYW 	C39H57N13O9S	883.4123	NA	PeJP	NA	NA
+PJ065390	GLHWWW 	C47H53N11O7	883.413	NA	PeJP	NA	NA
+PJ065391	SSSSTTTTL 	C34H61N9O18	883.4135	NA	PeJP	NA	NA
+PJ065392	ATTTTKMM 	C35H65N9O13S2	883.4143	NA	PeJP	NA	NA
+PJ065393	SSSTLKMM 	C35H65N9O13S2	883.4144	NA	PeJP	NA	NA
+PJ065394	SSSERRY 	C35H57N13O14	883.4148	NA	PeJP	NA	NA
+PJ065395	GGGGGPPTER 	C35H57N13O14	883.4149	NA	PeJP	NA	NA
+PJ065396	PPTLMYY 	C43H61N7O11S	883.415	NA	PeJP	NA	NA
+PJ065397	CLKKMMM 	C36H69N9O8S4	883.4152	NA	PeJP	NA	NA
+PJ065398	QMMRRY 	C36H61N13O9S2	883.4157	NA	PeJP	NA	NA
+PJ065399	SPNHHHR 	C36H53N17O10	883.4162	NA	PeJP	NA	NA
+PJ065400	PKMHWW 	C44H57N11O7S	883.4164	NA	PeJP	NA	NA
+PJ065401	VVLEMMY 	C40H65N7O11S2	883.4184	NA	PeJP	NA	NA
+PJ065402	GTTTRYW 	C40H57N11O12	883.4188	NA	PeJP	NA	NA
+PJ065403	APPEERW 	C40H57N11O12	883.4189	NA	PeJP	NA	NA
+PJ065404	GNNMHRR 	C33H57N17O10S	883.4195	NA	PeJP	NA	NA
+PJ065405	GGGNMHRR 	C33H57N17O10S	883.4196	NA	PeJP	NA	NA
+PJ065406	GLHHHHF 	C41H53N15O8	883.4202	NA	PeJP	NA	NA
+PJ065407	GTKEMRY 	C37H61N11O12S	883.4222	NA	PeJP	NA	NA
+PJ065408	GGGGGAAPPLM 	C37H61N11O12S	883.4223	NA	PeJP	NA	NA
+PJ065409	TTKYWW 	C45H57N9O10	883.4229	NA	PeJP	NA	NA
+PJ065410	GCKHHFR 	C38H57N15O8S	883.4236	NA	PeJP	NA	NA
+PJ065411	SSSSSSSKK 	C33H61N11O17	883.4247	NA	PeJP	NA	NA
+PJ065412	SSTCCKKK 	C34H65N11O12S2	883.4256	NA	PeJP	NA	NA
+PJ065413	GTEEHRR 	C34H57N15O13	883.4261	NA	PeJP	NA	NA
+PJ065414	KKEMYW 	C42H61N9O10S	883.4262	NA	PeJP	NA	NA
+PJ065415	GSPPPLMW 	C42H61N9O10S	883.4263	NA	PeJP	NA	NA
+PJ065416	CMRRRY 	C35H61N15O8S2	883.4269	NA	PeJP	NA	NA
+PJ065417	STKKEEY 	C38H61N9O15	883.4287	NA	PeJP	NA	NA
+PJ065418	GPPVKEEE 	C38H61N9O15	883.4288	NA	PeJP	NA	NA
+PJ065419	SPKKMMY 	C39H65N9O10S2	883.4296	NA	PeJP	NA	NA
+PJ065420	KEEHRW 	C39H57N13O11	883.4301	NA	PeJP	NA	NA
+PJ065421	PPVMFFF 	C47H61N7O8S	883.4303	NA	PeJP	NA	NA
+PJ065422	TTTTTTKM 	C35H65N9O15S	883.4321	NA	PeJP	NA	NA
+MJ096860	Antibiotic RPI 856A 	C43H61N7O13	883.432735	NA	MeJP	NA	NA
+PJ065423	SPLLEYY 	C43H61N7O13	883.4328	NA	PeJP	NA	NA
+7432	coeliac toxic peptide	QQPPFSEQEQLVLPQ	883.433	MH2+	Inhouse_peptide	NA	peptide
+PJ065424	SSCLRRY 	C36H61N13O11S	883.4334	NA	PeJP	NA	NA
+PJ065425	GTTMRRY 	C36H61N13O11S	883.4335	NA	PeJP	NA	NA
+PJ065426	PVLMMFF 	C44H65N7O8S2	883.4336	NA	PeJP	NA	NA
+PJ065427	VKEHWW 	C44H57N11O9	883.4341	NA	PeJP	NA	NA
+PJ065428	VLLMMMF 	C41H69N7O8S3	883.437	NA	PeJP	NA	NA
+PJ065429	SSNQHRR 	C33H57N17O12	883.4373	NA	PeJP	NA	NA
+PJ065430	TKMRYW 	C41H61N11O9S	883.4375	NA	PeJP	NA	NA
+PJ065431	PPLWWW 	C49H57N9O7	883.4381	NA	PeJP	NA	NA
+PJ065432	STTKERY 	C37H61N11O14	883.44	NA	PeJP	NA	NA
+PJ065433	ACLKMRY 	C38H65N11O9S2	883.4408	NA	PeJP	NA	NA
+PJ065434	GVKMMRY 	C38H65N11O9S2	883.4409	NA	PeJP	NA	NA
+PJ065435	TEHRRW 	C38H57N15O10	883.4413	NA	PeJP	NA	NA
+PJ065436	SSTLKYW 	C42H61N9O12	883.444	NA	PeJP	NA	NA
+PJ065437	GVEMHRR 	C35H61N15O10S	883.4447	NA	PeJP	NA	NA
+PJ065438	SLHRWW 	C43H57N13O8	883.4453	NA	PeJP	NA	NA
+PJ065439	PPLHHHF 	C43H57N13O8	883.4454	NA	PeJP	NA	NA
+PJ065440	SVKKEMY 	C39H65N9O12S	883.4474	NA	PeJP	NA	NA
+PJ065441	PPVVFYY 	C47H61N7O10	883.448	NA	PeJP	NA	NA
+PJ065442	AALMHRW 	C40H61N13O8S	883.4487	NA	PeJP	NA	NA
+PJ065443	STTTRRY 	C36H61N13O13	883.4512	NA	PeJP	NA	NA
+PJ065444	GGGGGGGGAPLK 	C36H61N13O13	883.4513	NA	PeJP	NA	NA
+PJ065445	PVVLMYY 	C44H65N7O10S	883.4514	NA	PeJP	NA	NA
+PJ065446	KMMRRY 	C37H65N13O8S2	883.4521	NA	PeJP	NA	NA
+PJ065447	GLQHHHR 	C37H57N17O9	883.4526	NA	PeJP	NA	NA
+PJ065448	TLLLMMY 	C41H69N7O10S2	883.4548	NA	PeJP	NA	NA
+PJ065449	SPPLERW 	C41H61N11O11	883.4552	NA	PeJP	NA	NA
+PJ065450	GGPPDKKW 	C41H61N11O11	883.4553	NA	PeJP	NA	NA
+PJ065451	EMHRRR 	C34H61N17O9S	883.4559	NA	PeJP	NA	NA
+PJ065452	SSLKMRY 	C38H65N11O11S	883.4586	NA	PeJP	NA	NA
+PJ065453	SPPVLWW 	C46H61N9O9	883.4593	NA	PeJP	NA	NA
+PJ065454	VMHRRW 	C39H61N15O7S	883.46	NA	PeJP	NA	NA
+PJ065455	APQQERR 	C35H61N15O12	883.4624	NA	PeJP	NA	NA
+PJ065456	SSLEHRR 	C35H61N15O12	883.4625	NA	PeJP	NA	NA
+PJ065457	PPLLQMW 	C43H65N9O9S	883.4626	NA	PeJP	NA	NA
+PJ065458	AAHHHRR 	C36H57N19O8	883.4638	NA	PeJP	NA	NA
+PJ065459	SSSSLLKY 	C39H65N9O14	883.4651	NA	PeJP	NA	NA
+PJ065460	GGGPLLLEE 	C39H65N9O14	883.4652	NA	PeJP	NA	NA
+PJ065461	ALKKMMY 	C40H69N9O9S2	883.466	NA	PeJP	NA	NA
+PJ065462	ATTLHRW 	C40H61N13O10	883.4665	NA	PeJP	NA	NA
+PJ065463	ALLLEYY 	C44H65N7O12	883.4691	NA	PeJP	NA	NA
+MJ096861	Micropeptin 88A 	C44H65N7O12	883.46912	NA	MeJP	NA	NA
+PJ065464	TLLLDFY 	C44H65N7O12	883.4692	NA	PeJP	NA	NA
+PJ065465	ALKEMHR 	C37H65N13O10S	883.4698	NA	PeJP	NA	NA
+PJ065466	PPVEMRR 	C37H65N13O10S	883.4699	NA	PeJP	NA	NA
+PJ065467	TKFFRW 	C45H61N11O8	883.4705	NA	PeJP	NA	NA
+PJ065468	GPNERRR 	C34H61N17O11	883.4737	NA	PeJP	NA	NA
+PJ065469	PPVVMRW 	C42H65N11O8S	883.4739	NA	PeJP	NA	NA
+PJ065470	GSSSKKKY 	C38H65N11O13	883.4764	NA	PeJP	NA	NA
+PJ065471	CCKKKKF 	C39H69N11O8S2	883.4772	NA	PeJP	NA	NA
+PJ065472	AAPQRRW 	C39H61N15O9	883.4777	NA	PeJP	NA	NA
+PJ065473	PVLLQEW 	C43H65N9O11	883.4804	NA	PeJP	NA	NA
+PJ065474	ATLMHRR 	C36H65N15O9S	883.4811	NA	PeJP	NA	NA
+PJ065475	TTLKKMY 	C40H69N9O11S	883.4838	NA	PeJP	NA	NA
+PJ065476	PVVLFFY 	C48H65N7O9	883.4844	NA	PeJP	NA	NA
+PJ065477	KMFFRR 	C41H65N13O7S	883.4851	NA	PeJP	NA	NA
+PJ065478	PVVEERR 	C37H65N13O12	883.4876	NA	PeJP	NA	NA
+PJ065479	VVLLMFY 	C45H69N7O9S	883.4878	NA	PeJP	NA	NA
+PJ065480	PNRRRW 	C38H61N17O8	883.4889	NA	PeJP	NA	NA
+PJ065481	GGPRRRW 	C38H61N17O8	883.489	NA	PeJP	NA	NA
+PJ065482	APLLERW 	C42H65N11O10	883.4916	NA	PeJP	NA	NA
+PJ065483	GCKKHRR 	C35H65N17O8S	883.4923	NA	PeJP	NA	NA
+C10824	Solasonine	C45H73NO16	883.4929	NA	KEGG	NA	NA
+MJ096862	5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096863	Leptinidine; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-galactopyranoside] 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096864	Leucomycin A3; 9-Propanoyl 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096865	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096866	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096867	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096868	Spirosol-5-en-3-ol, Glycoside (Unknown struct. 2) 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+MJ096869	Spirosol-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-galactopyranoside] 	C45H73NO16	883.492935	NA	MeJP	NA	NA
+PJ065484	SCKKKKY 	C39H69N11O10S	883.495	NA	PeJP	NA	NA
+PJ065485	LKKFYW 	C47H65N9O8	883.4956	NA	PeJP	NA	NA
+PJ065486	GPLLLWW 	C47H65N9O8	883.4957	NA	PeJP	NA	NA
+PJ065487	TTTLHRR 	C36H65N15O11	883.4988	NA	PeJP	NA	NA
+PJ065488	GAAPKERR 	C36H65N15O11	883.4989	NA	PeJP	NA	NA
+PJ065489	PPLLKMW 	C44H69N9O8S	883.499	NA	PeJP	NA	NA
+PJ065490	GPVLLKEE 	C40H69N9O13	883.5015	NA	PeJP	NA	NA
+PJ065491	GPLQKRW 	C41H65N13O9	883.5029	NA	PeJP	NA	NA
+PJ065492	SLLLLYY 	C45H69N7O11	883.5055	NA	PeJP	NA	NA
+PJ065493	SLLKMHR 	C38H69N13O9S	883.5062	NA	PeJP	NA	NA
+PJ065494	GPDKRRR 	C35H65N17O10	883.5101	NA	PeJP	NA	NA
+PJ065495	SPPTTLLR 	C39H69N11O12	883.5127	NA	PeJP	NA	NA
+PJ065496	PLLKEER 	C39H69N11O12	883.5128	NA	PeJP	NA	NA
+PJ065497	AAPKRRW 	C40H65N15O8	883.5141	NA	PeJP	NA	NA
+PJ065498	PVLLKEW 	C44H69N9O10	883.5168	NA	PeJP	NA	NA
+PJ065499	PPCKKRR 	C37H69N15O8S	883.5175	NA	PeJP	NA	NA
+PJ065500	SPPVLLKM 	C41H73N9O10S	883.5202	NA	PeJP	NA	NA
+PJ065501	VVLLFFF 	C49H69N7O8	883.5208	NA	PeJP	NA	NA
+PJ065502	GSPRRRR 	C34H65N19O9	883.5213	NA	PeJP	NA	NA
+PJ065503	PTLLERR 	C38H69N13O11	883.524	NA	PeJP	NA	NA
+PJ065504	LHFRRR 	C39H65N17O7	883.5253	NA	PeJP	NA	NA
+PJ065505	SPLLLRW 	C43H69N11O9	883.528	NA	PeJP	NA	NA
+PJ065506	AAPLLLMR 	C40H73N11O9S	883.5314	NA	PeJP	NA	NA
+PJ065507	APKKERR 	C37H69N15O10	883.5352	NA	PeJP	NA	NA
+MJ096870	Rubellidin 4.2; 9-Carboxylic acid 	C41H73N9O12	883.537868	NA	MeJP	NA	NA
+PJ065508	APTLLLKE 	C41H73N9O12	883.5379	NA	PeJP	NA	NA
+PJ065509	VVVKHFR 	C42H69N13O8	883.5392	NA	PeJP	NA	NA
+PJ065510	GPLKKRW 	C42H69N13O8	883.5393	NA	PeJP	NA	NA
+PJ065511	PVLLMRR 	C39H73N13O8S	883.5426	NA	PeJP	NA	NA
+MJ096871	Rapamycin; 32-Demethoxy 	C50H77NO12	883.544576	NA	MeJP	NA	NA
+PJ065512	APTKRRR 	C36H69N17O9	883.5465	NA	PeJP	NA	NA
+PJ065513	LLLLQER 	C40H73N11O11	883.5491	NA	PeJP	NA	NA
+PJ065514	GALLLLER 	C40H73N11O11	883.5492	NA	PeJP	NA	NA
+PJ065515	VLLLLQW 	C45H73N9O9	883.5532	NA	PeJP	NA	NA
+PJ065516	GPLLLLKM 	C42H77N9O9S	883.5565	NA	PeJP	NA	NA
+PJ065517	LQRRRR 	C35H69N19O8	883.5577	NA	PeJP	NA	NA
+PJ065518	VVLLERR 	C39H73N13O10	883.5604	NA	PeJP	NA	NA
+MJ096872	Antibiotic SUAM 20008 	C43H77N7O12	883.56302	NA	MeJP	NA	NA
+PJ065519	ALLLLRW 	C44H73N11O8	883.5644	NA	PeJP	NA	NA
+MJ096873	Antibiotic A 82548A 	C47H81NO14	883.565706	NA	MeJP	NA	NA
+MJ096874	Mycobactin; Mycobactin R 	C48H77N5O10	883.567043	NA	MeJP	NA	NA
+PJ065520	SPLKKRR 	C38H73N15O9	883.5716	NA	PeJP	NA	NA
+PJ065521	GVLLLLKE 	C42H77N9O11	883.5743	NA	PeJP	NA	NA
+PJ065522	AVVKRRR 	C37H73N17O8	883.5828	NA	PeJP	NA	NA
+PJ065523	GVLKRRR 	C37H73N17O8	883.5829	NA	PeJP	NA	NA
+PJ065524	LLLLKER 	C41H77N11O10	883.5855	NA	PeJP	NA	NA
+PJ065525	VLLLLKW 	C46H77N9O8	883.5896	NA	PeJP	NA	NA
+PJ065526	LKRRRR 	C36H73N19O7	883.5941	NA	PeJP	NA	NA
+PJ065527	TLLLLRR 	C40H77N13O9	883.5968	NA	PeJP	NA	NA
+PJ065528	ALLKKRR 	C39H77N15O8	883.608	NA	PeJP	NA	NA
+HMDB08647	PC(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C52H86NO8P	883.609131	NA	HMDB2010	NA	NA
+HMDB08648	PC(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C52H86NO8P	883.609131	NA	HMDB2010	NA	NA
+HMDB08679	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	C52H86NO8P	883.609131	NA	HMDB2010	NA	NA
+HMDB08712	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	C52H86NO8P	883.609131	NA	HMDB2010	NA	NA
+PJ065529	ATLLLLLK 	C43H81N9O10	883.6107	NA	PeJP	NA	NA
+PJ065530	AALLLKKK 	C42H81N11O9	883.6219	NA	PeJP	NA	NA
+PJ065531	VLLKKKR 	C41H81N13O8	883.6331	NA	PeJP	NA	NA
+EUR1137	SM(d18:1/26:3) [M+FA-H]-	C49H94N2O6P	883.689831	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1137	SM(d18:1/26:3) [M+FA-H]-	C49H94N2O6P	883.689831	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1137	SM(d18:1/26:3) [M+FA-H]-	C49H94N2O6P	883.689831	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1137	SM(d18:1/26:3) [M+FA-H]-	C49H94N2O6P	883.689831	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB09542	PE(22:1(13Z)/24:1(15Z))	C51H98NO8P	883.703003	NA	HMDB2010	NA	NA
+HMDB09574	PE(22:2(13Z,16Z)/24:0)	C51H98NO8P	883.703003	NA	HMDB2010	NA	NA
+HMDB09734	PE(24:0/22:2(13Z,16Z))	C51H98NO8P	883.703003	NA	HMDB2010	NA	NA
+HMDB09766	PE(24:1(15Z)/22:1(13Z))	C51H98NO8P	883.703003	NA	HMDB2010	NA	NA
+5463	aurein 3,2	GLFDIVKKIAGHIASSI	884.00445	MH2+	Inhouse_peptide	NA	peptide
+MJ096875	Sulfohalopterin 2 	C26H32N10O21S2	884.118489	NA	MeJP	NA	NA
+PJ065532	GCCCCCMY 	C31H48N8O10S6	884.1818	NA	PeJP	NA	NA
+PJ065533	SCCCCDDH 	C29H44N10O14S4	884.1922	NA	PeJP	NA	NA
+PJ065534	PCCCDDDD 	C30H44N8O17S3	884.1987	NA	PeJP	NA	NA
+PJ065535	STCCCCCY 	C31H48N8O12S5	884.1996	NA	PeJP	NA	NA
+PJ065536	GCCCCEMH 	C30H48N10O11S5	884.2108	NA	PeJP	NA	NA
+PJ065537	GCCCCCFF 	C35H48N8O9S5	884.2148	NA	PeJP	NA	NA
+PJ065538	GCDDDDDM 	C30H44N8O19S2	884.2165	NA	PeJP	NA	NA
+PJ065539	CCCCMHW 	C34H48N10O8S5	884.2261	NA	PeJP	NA	NA
+PJ065540	SCCNNDDD 	C29H44N10O18S2	884.2277	NA	PeJP	NA	NA
+PJ065541	SSCCCDMH 	C30H48N10O13S4	884.2286	NA	PeJP	NA	NA
+PJ065542	CCDDDEW 	C34H44N8O16S2	884.2317	NA	PeJP	NA	NA
+PJ065543	CCCCQYY 	C35H48N8O11S4	884.2326	NA	PeJP	NA	NA
+PJ065544	SSCDDDDE 	C30H44N8O21S	884.2342	NA	PeJP	NA	NA
+PJ065545	SPCCDDDM 	C31H48N8O16S3	884.2351	NA	PeJP	NA	NA
+PJ065546	PPCCCCEM 	C32H52N8O11S5	884.236	NA	PeJP	NA	NA
+MJ096876	3',4',5,7-Tetrahydroxyflavan(4?8)-3',4',5,7-tetrahydroxyflavanone; 5,5'-Di-O-?-D-glucopyranoside 	C42H44O21	884.237508	NA	MeJP	NA	NA
+PJ065547	GPCCCCNW 	C34H48N10O10S4	884.2438	NA	PeJP	NA	NA
+PJ065548	GCCNNDEM 	C30H48N10O15S3	884.2463	NA	PeJP	NA	NA
+PJ065549	GTCCCMMH 	C31H52N10O10S5	884.2472	NA	PeJP	NA	NA
+PJ065550	GSSCCCYY 	C35H48N8O13S3	884.2503	NA	PeJP	NA	NA
+PJ065551	GSDDDDMM 	C31H48N8O18S2	884.2528	NA	PeJP	NA	NA
+PJ065552	GPCCDEMM 	C32H52N8O13S4	884.2537	NA	PeJP	NA	NA
+PJ065553	SCCCNNNQ 	C29H48N12O14S3	884.2575	NA	PeJP	NA	NA
+PJ065554	GCCCNDDR 	C29H48N12O14S3	884.2576	NA	PeJP	NA	NA
+PJ065555	CCNNDMW 	C34H48N10O12S3	884.2616	NA	PeJP	NA	NA
+PJ065556	SSCNNDDM 	C30H48N10O17S2	884.2641	NA	PeJP	NA	NA
+PJ065557	SSSCCMMH 	C31H52N10O12S4	884.2649	NA	PeJP	NA	NA
+PJ065558	GGGGPTCCCM 	C31H52N10O12S4	884.265	NA	PeJP	NA	NA
+PJ065559	NDDDDEY 	C34H44N8O20	884.2672	NA	PeJP	NA	NA
+PJ065560	SCDDEMW 	C35H48N8O15S2	884.2681	NA	PeJP	NA	NA
+PJ065561	PCCDMMW 	C36H52N8O10S4	884.269	NA	PeJP	NA	NA
+PJ065562	SSSDDDEM 	C31H48N8O20S	884.2706	NA	PeJP	NA	NA
+PJ065563	NDDEMMM 	C32H52N8O15S3	884.2715	NA	PeJP	NA	NA
+PJ065564	GSCDDDHH 	C32H44N12O16S	884.2719	NA	PeJP	NA	NA
+PJ065565	PPTCCCMM 	C33H56N8O10S5	884.2723	NA	PeJP	NA	NA
+PJ065566	GPCCCEHH 	C33H48N12O11S3	884.2728	NA	PeJP	NA	NA
+PJ065567	GSSSCCNNN 	C29H48N12O16S2	884.2753	NA	PeJP	NA	NA
+PJ065568	SPCCCCNR 	C30H52N12O11S4	884.2762	NA	PeJP	NA	NA
+PJ065569	GCCCQWW 	C38H48N10O9S3	884.2768	NA	PeJP	NA	NA
+PJ065570	GPDDDDDH 	C33H44N10O19	884.2785	NA	PeJP	NA	NA
+PJ065571	GSSCCNEW 	C34H48N10O14S2	884.2793	NA	PeJP	NA	NA
+PJ065572	CCNMMHF 	C35H52N10O9S4	884.2802	NA	PeJP	NA	NA
+PJ065573	GSSSSCNDE 	C30H48N10O19S	884.2818	NA	PeJP	NA	NA
+PJ065574	GDDDDYW 	C38H44N8O17	884.2825	NA	PeJP	NA	NA
+PJ065575	CDDDMMR 	C31H52N10O14S3	884.2827	NA	PeJP	NA	NA
+PJ065576	GCCNYYY 	C39H48N8O12S2	884.2833	NA	PeJP	NA	NA
+PJ065577	PCCDDFW 	C39H48N8O12S2	884.2834	NA	PeJP	NA	NA
+PJ065578	CNDEEEF 	C35H48N8O17S	884.2858	NA	PeJP	NA	NA
+PJ065579	GSPCDDEY 	C35H48N8O17S	884.2859	NA	PeJP	NA	NA
+PJ065580	GDDMMMW 	C36H52N8O12S3	884.2867	NA	PeJP	NA	NA
+PJ065581	PCCCHHW 	C37H48N12O8S3	884.2881	NA	PeJP	NA	NA
+PJ065582	GSSDEEMM 	C32H52N8O17S2	884.2892	NA	PeJP	NA	NA
+PJ065583	GSPCEMMM 	C33H56N8O12S4	884.2901	NA	PeJP	NA	NA
+PJ065584	GCCNNNNF 	C33H48N12O13S2	884.2906	NA	PeJP	NA	NA
+PJ065585	GSCCNDMR 	C30H52N12O13S3	884.2939	NA	PeJP	NA	NA
+PJ065586	GGGGGGSCCCK 	C30H52N12O13S3	884.294	NA	PeJP	NA	NA
+PJ065587	SSCCNWW 	C38H48N10O11S2	884.2946	NA	PeJP	NA	NA
+MJ096877	Depresteroside 	C40H52O22	884.295023	NA	MeJP	NA	NA
+PJ065588	SSSSCNDW 	C34H48N10O16S	884.2971	NA	PeJP	NA	NA
+PJ065589	SCNNMMW 	C35H52N10O11S3	884.2979	NA	PeJP	NA	NA
+PJ065590	GGSCNMMW 	C35H52N10O11S3	884.298	NA	PeJP	NA	NA
+PJ065591	SSSSSSNDD 	C30H48N10O21	884.2996	NA	PeJP	NA	NA
+PJ065592	SSSNNDMM 	C31H52N10O16S2	884.3004	NA	PeJP	NA	NA
+PJ065593	GGSSSNDMM 	C31H52N10O16S2	884.3005	NA	PeJP	NA	NA
+PJ065594	SPCDDYW 	C39H48N8O14S	884.3011	NA	PeJP	NA	NA
+PJ065595	NNNMMMM 	C32H56N10O11S4	884.3013	NA	PeJP	NA	NA
+PJ065596	CCDDHHR 	C32H48N14O12S2	884.3018	NA	PeJP	NA	NA
+PJ065597	CEMMWW 	C40H52N8O9S3	884.302	NA	PeJP	NA	NA
+PJ065598	SNDEEEY 	C35H48N8O19	884.3036	NA	PeJP	NA	NA
+PJ065599	SSDEMMW 	C36H52N8O14S2	884.3045	NA	PeJP	NA	NA
+PJ065600	SPCMMMW 	C37H56N8O9S4	884.3053	NA	PeJP	NA	NA
+PJ065601	GPPCCMMF 	C37H56N8O9S4	884.3054	NA	PeJP	NA	NA
+PJ065602	GCDMHHW 	C37H48N12O10S2	884.3058	NA	PeJP	NA	NA
+PJ065603	SSSSEEEM 	C32H52N8O19S	884.307	NA	PeJP	NA	NA
+PJ065604	SQEEMMM 	C33H56N8O14S3	884.3078	NA	PeJP	NA	NA
+PJ065605	GGTEEMMM 	C33H56N8O14S3	884.3079	NA	PeJP	NA	NA
+PJ065606	GSCNNNNY 	C33H48N12O15S	884.3083	NA	PeJP	NA	NA
+PJ065607	DMMYYY 	C41H52N6O12S2	884.3085	NA	PeJP	NA	NA
+PJ065608	PNMMMMM 	C34H60N8O9S5	884.3087	NA	PeJP	NA	NA
+PJ065609	SCCCQRW 	C34H52N12O10S3	884.3092	NA	PeJP	NA	NA
+PJ065610	SSSCCNER 	C30H52N12O15S2	884.3117	NA	PeJP	NA	NA
+PJ065611	GCNNEYW 	C38H48N10O13S	884.3123	NA	PeJP	NA	NA
+PJ065612	GGGGGCEYW 	C38H48N10O13S	884.3124	NA	PeJP	NA	NA
+PJ065613	CCNQMMR 	C31H56N12O10S4	884.3126	NA	PeJP	NA	NA
+PJ065614	GCCCKWW 	C39H52N10O8S3	884.3132	NA	PeJP	NA	NA
+PJ065615	SDDDDRY 	C34H48N10O18	884.3148	NA	PeJP	NA	NA
+PJ065616	GGGGGSSDEY 	C34H48N10O18	884.3149	NA	PeJP	NA	NA
+PJ065617	GSSSCQMW 	C35H52N10O13S2	884.3157	NA	PeJP	NA	NA
+PJ065618	CDEFWW 	C43H48N8O11S	884.3164	NA	PeJP	NA	NA
+PJ065619	GSSSSSNEM 	C31H52N10O18S	884.3182	NA	PeJP	NA	NA
+PJ065620	GSDEEYW 	C39H48N8O16	884.3189	NA	PeJP	NA	NA
+PJ065621	SDDMMMR 	C32H56N10O13S3	884.3191	NA	PeJP	NA	NA
+PJ065622	SSSCNNHH 	C32H48N14O14S	884.3195	NA	PeJP	NA	NA
+PJ065623	GGSSSCNHH 	C32H48N14O14S	884.3196	NA	PeJP	NA	NA
+PJ065624	GPCEMYW 	C40H52N8O11S2	884.3197	NA	PeJP	NA	NA
+PJ065625	GQEEEMY 	C36H52N8O16S	884.3222	NA	PeJP	NA	NA
+PJ065626	DDFYYY 	C44H48N6O14	884.3229	NA	PeJP	NA	NA
+PJ065627	GTEMMMW 	C37H56N8O11S3	884.3231	NA	PeJP	NA	NA
+PJ065628	SSCEHHW 	C37H48N12O12S	884.3236	NA	PeJP	NA	NA
+PJ065629	CCCNMRR 	C30H56N14O9S4	884.3238	NA	PeJP	NA	NA
+PJ065630	GSTTEEMM 	C33H56N8O16S2	884.3256	NA	PeJP	NA	NA
+PJ065631	SSSSDEHH 	C33H48N12O17	884.3261	NA	PeJP	NA	NA
+PJ065632	VNEMMMM 	C34H60N8O11S4	884.3265	NA	PeJP	NA	NA
+PJ065633	GSSSCCRW 	C34H52N12O12S2	884.3269	NA	PeJP	NA	NA
+PJ065634	GGCCNEFR 	C34H52N12O12S2	884.327	NA	PeJP	NA	NA
+PJ065635	MMMFYY 	C42H56N6O9S3	884.3271	NA	PeJP	NA	NA
+PJ065636	CNNYWW 	C42H48N10O10S	884.3276	NA	PeJP	NA	NA
+PJ065637	GSSSSSCDR 	C30H52N12O17S	884.3294	NA	PeJP	NA	NA
+PJ065638	SSNNDYW 	C38H48N10O15	884.3301	NA	PeJP	NA	NA
+PJ065639	GSSCNMMR 	C31H56N12O12S3	884.3303	NA	PeJP	NA	NA
+PJ065640	GCNQMFW 	C39H52N10O10S2	884.331	NA	PeJP	NA	NA
+PJ065641	SSSSSNMW 	C35H52N10O15S	884.3335	NA	PeJP	NA	NA
+PJ065642	SDEYWW 	C43H48N8O13	884.3341	NA	PeJP	NA	NA
+PJ065643	SCCQKMW 	C36H56N10O10S3	884.3343	NA	PeJP	NA	NA
+PJ065644	GGAPCCCKF 	C36H56N10O10S3	884.3344	NA	PeJP	NA	NA
+PJ065645	CNNNHHF 	C36H48N14O11S	884.3348	NA	PeJP	NA	NA
+PJ065646	PCMYWW 	C44H52N8O8S2	884.335	NA	PeJP	NA	NA
+PJ065647	SSSSSSSQE 	C31H52N10O20	884.3359	NA	PeJP	NA	NA
+PJ065648	GGSSSSSSTE 	C31H52N10O20	884.336	NA	PeJP	NA	NA
+PJ065649	SSSSQQMM 	C32H56N10O15S2	884.3368	NA	PeJP	NA	NA
+PJ065650	NNDDDHR 	C32H48N14O16	884.3373	NA	PeJP	NA	NA
+PJ065651	QEEMYW 	C40H52N8O13S	884.3375	NA	PeJP	NA	NA
+PJ065652	GEMMMMR 	C33H60N10O10S4	884.3377	NA	PeJP	NA	NA
+PJ065653	SCDMHHR 	C33H52N14O11S2	884.3382	NA	PeJP	NA	NA
+PJ065654	TMMMWW 	C41H56N8O8S3	884.3384	NA	PeJP	NA	NA
+PJ065655	STQEEEY 	C36H52N8O18	884.34	NA	PeJP	NA	NA
+PJ065656	STTEMMW 	C37H56N8O13S2	884.3408	NA	PeJP	NA	NA
+PJ065657	TTTDMMW 	C37H56N8O13S2	884.3409	NA	PeJP	NA	NA
+PJ065658	GNNEEHW 	C37H48N12O14	884.3413	NA	PeJP	NA	NA
+PJ065659	GGGGGEEHW 	C37H48N12O14	884.3414	NA	PeJP	NA	NA
+PJ065660	DMFFYY 	C45H52N6O11S	884.3415	NA	PeJP	NA	NA
+PJ065661	GSTCCCRR 	C30H56N14O11S3	884.3416	NA	PeJP	NA	NA
+PJ065662	GVMMMMW 	C38H60N8O8S4	884.3417	NA	PeJP	NA	NA
+PJ065663	GCCNFRW 	C38H52N12O9S2	884.3422	NA	PeJP	NA	NA
+PJ065664	STTTTDEM 	C33H56N8O18S	884.3433	NA	PeJP	NA	NA
+PJ065665	SSTTTEEM 	C33H56N8O18S	884.3434	NA	PeJP	NA	NA
+PJ065666	SKEEMMM 	C34H60N8O13S3	884.3442	NA	PeJP	NA	NA
+PJ065667	SCNNERY 	C34H52N12O14S	884.3447	NA	PeJP	NA	NA
+PJ065668	SCCCKRW 	C35H56N12O9S3	884.3456	NA	PeJP	NA	NA
+PJ065669	SCQHHHH 	C35H48N16O10S	884.346	NA	PeJP	NA	NA
+PJ065670	GGTCHHHH 	C35H48N16O10S	884.3461	NA	PeJP	NA	NA
+PJ065671	SSSSCQMR 	C31H56N12O14S2	884.3481	NA	PeJP	NA	NA
+PJ065672	DDMRYW 	C39H52N10O12S	884.3487	NA	PeJP	NA	NA
+PJ065673	CCNKMMR 	C32H60N12O9S4	884.3489	NA	PeJP	NA	NA
+PJ065674	GGCCKMMR 	C32H60N12O9S4	884.349	NA	PeJP	NA	NA
+PJ065675	GSSSSSSTW 	C35H52N10O17	884.3512	NA	PeJP	NA	NA
+PJ065676	GGGGGPPEEE 	C35H52N10O17	884.3513	NA	PeJP	NA	NA
+PJ065677	GSSSCKMW 	C36H56N10O12S2	884.3521	NA	PeJP	NA	NA
+PJ065678	SNNNNHW 	C36H48N14O13	884.3526	NA	PeJP	NA	NA
+PJ065679	AEMYWW 	C44H52N8O10S	884.3527	NA	PeJP	NA	NA
+PJ065680	GPCEFFW 	C44H52N8O10S	884.3528	NA	PeJP	NA	NA
+PJ065681	MMMMRW 	C37H60N10O7S4	884.353	NA	PeJP	NA	NA
+PJ065682	GSSSSSDKM 	C32H56N10O17S	884.3546	NA	PeJP	NA	NA
+PJ065683	GTTEEYW 	C40H52N8O15	884.3552	NA	PeJP	NA	NA
+PJ065684	GGAPEEYY 	C40H52N8O15	884.3553	NA	PeJP	NA	NA
+PJ065685	STEMMMR 	C33H60N10O12S3	884.3555	NA	PeJP	NA	NA
+PJ065686	GSPCNDHR 	C33H52N14O13S	884.3559	NA	PeJP	NA	NA
+PJ065687	GGGGGGQQMH 	C33H52N14O13S	884.356	NA	PeJP	NA	NA
+PJ065688	GPTMMYW 	C41H56N8O10S2	884.3561	NA	PeJP	NA	NA
+PJ065689	NNEHWW 	C41H48N12O11	884.3566	NA	PeJP	NA	NA
+PJ065690	ACMMHHR 	C34H56N14O8S3	884.3568	NA	PeJP	NA	NA
+PJ065691	GKEEEMY 	C37H56N8O15S	884.3586	NA	PeJP	NA	NA
+PJ065692	VDYYYY 	C45H52N6O13	884.3593	NA	PeJP	NA	NA
+PJ065693	SSLMMMW 	C38H60N8O10S3	884.3595	NA	PeJP	NA	NA
+PJ065694	GSCNRYW 	C38H52N12O11S	884.36	NA	PeJP	NA	NA
+PJ065695	MMFFFY 	C46H56N6O8S2	884.3601	NA	PeJP	NA	NA
+PJ065696	SSSTLEMM 	C34H60N8O15S2	884.362	NA	PeJP	NA	NA
+PJ065697	GSSSNDRY 	C34H52N12O16	884.3625	NA	PeJP	NA	NA
+PJ065698	VDKMMMM 	C35H64N8O10S4	884.3629	NA	PeJP	NA	NA
+PJ065699	GNNMMRY 	C35H56N12O11S2	884.3633	NA	PeJP	NA	NA
+PJ065700	GGGGAAPMMH 	C35H56N12O11S2	884.3634	NA	PeJP	NA	NA
+PJ065701	GSSSHHHH 	C35H48N16O12	884.3638	NA	PeJP	NA	NA
+PJ065702	PEMHWW 	C43H52N10O9S	884.364	NA	PeJP	NA	NA
+PJ065703	GSSSSSSMR 	C31H56N12O16S	884.3658	NA	PeJP	NA	NA
+PJ065704	SSSQQYW 	C39H52N10O14	884.3665	NA	PeJP	NA	NA
+PJ065705	GSTCCKMR 	C32H60N12O11S3	884.3667	NA	PeJP	NA	NA
+PJ065706	CNNNQHR 	C32H52N16O12S	884.3672	NA	PeJP	NA	NA
+PJ065707	ACCQKFW 	C40H56N10O9S2	884.3673	NA	PeJP	NA	NA
+PJ065708	DMMFRW 	C40H56N10O9S2	884.3674	NA	PeJP	NA	NA
+MJ096878	Premnaodoroside G 	C42H60O20	884.367794	NA	MeJP	NA	NA
+PJ065709	GPDHHHW 	C40H48N14O10	884.3678	NA	PeJP	NA	NA
+PJ065710	PCFFWW 	C48H52N8O7S	884.368	NA	PeJP	NA	NA
+PJ065711	SSSSTCKW 	C36H56N10O14S	884.3698	NA	PeJP	NA	NA
+PJ065712	GTEEMRY 	C36H56N10O14S	884.3699	NA	PeJP	NA	NA
+PJ065713	TTEYWW 	C44H52N8O12	884.3705	NA	PeJP	NA	NA
+PJ065714	SCCKKMW 	C37H60N10O9S3	884.3707	NA	PeJP	NA	NA
+PJ065715	GCEHHFR 	C37H52N14O10S	884.3712	NA	PeJP	NA	NA
+PJ065716	CLMFWW 	C45H56N8O7S2	884.3714	NA	PeJP	NA	NA
+PJ065717	GNHWWW 	C45H48N12O8	884.3718	NA	PeJP	NA	NA
+PJ065718	GGGHWWW 	C45H48N12O8	884.3719	NA	PeJP	NA	NA
+PJ065719	SSSSSSSKE 	C32H56N10O19	884.3723	NA	PeJP	NA	NA
+PJ065720	SSSSQKMM 	C33H60N10O14S2	884.3732	NA	PeJP	NA	NA
+PJ065721	SNNEEHR 	C33H52N14O15	884.3737	NA	PeJP	NA	NA
+PJ065722	KEEMYW 	C41H56N8O12S	884.3739	NA	PeJP	NA	NA
+PJ065723	SVMMMMR 	C34H64N10O9S4	884.3741	NA	PeJP	NA	NA
+PJ065724	DFFFFY 	C49H52N6O10	884.3745	NA	PeJP	NA	NA
+PJ065725	GCCQRRY 	C34H56N14O10S2	884.3746	NA	PeJP	NA	NA
+PJ065726	QMHHFW 	C42H52N12O8S	884.3752	NA	PeJP	NA	NA
+PJ065727	STKEEEY 	C37H56N8O17	884.3764	NA	PeJP	NA	NA
+PJ065728	SPKEMMY 	C38H60N8O12S2	884.3772	NA	PeJP	NA	NA
+PJ065729	GAALEMMY 	C38H60N8O12S2	884.3773	NA	PeJP	NA	NA
+PJ065730	EEEHRW 	C38H52N12O13	884.3777	NA	PeJP	NA	NA
+PJ065731	VMFYYY 	C46H56N6O10S	884.3779	NA	PeJP	NA	NA
+PJ065732	GNHHHHF 	C39H48N16O9	884.3791	NA	PeJP	NA	NA
+PJ065733	TTTTTTEM 	C34H60N8O17S	884.3797	NA	PeJP	NA	NA
+PJ065734	GTTTLMMM 	C35H64N8O12S3	884.3806	NA	PeJP	NA	NA
+PJ065735	SSNQMRY 	C35H56N12O13S	884.3811	NA	PeJP	NA	NA
+PJ065736	VEEHWW 	C43H52N10O11	884.3817	NA	PeJP	NA	NA
+PJ065737	GGGPPEWW 	C43H52N10O11	884.3818	NA	PeJP	NA	NA
+PJ065738	AKMMMHH 	C36H60N12O8S3	884.382	NA	PeJP	NA	NA
+PJ065739	SCKHHHH 	C36H52N16O9S	884.3824	NA	PeJP	NA	NA
+PJ065740	SSSSSSSTR 	C31H56N12O18	884.3836	NA	PeJP	NA	NA
+PJ065741	SSSSCKMR 	C32H60N12O13S2	884.3845	NA	PeJP	NA	NA
+PJ065742	GSSNNNHR 	C32H52N16O14	884.3849	NA	PeJP	NA	NA
+PJ065743	GGGGGGGSSHR 	C32H52N16O14	884.385	NA	PeJP	NA	NA
+PJ065744	TEMRYW 	C40H56N10O11S	884.3851	NA	PeJP	NA	NA
+PJ065745	APYYWW 	C48H52N8O9	884.3858	NA	PeJP	NA	NA
+PJ065746	CHHFRW 	C41H52N14O7S	884.3865	NA	PeJP	NA	NA
+PJ065747	STTEERY 	C36H56N10O16	884.3876	NA	PeJP	NA	NA
+PJ065748	GVEMMRY 	C37H60N10O11S2	884.3885	NA	PeJP	NA	NA
+C09679	Helminthosporoside A	C39H64O22	884.3889	NA	KEGG	NA	NA
+MJ096879	Helminthosporoside A 	C39H64O22	884.388923	NA	MeJP	NA	NA
+PJ065749	GSNEHRW 	C37H52N14O12	884.389	NA	PeJP	NA	NA
+PJ065750	SLMYWW 	C45H56N8O9S	884.3891	NA	PeJP	NA	NA
+PJ065751	GSSSSTTKM 	C33H60N10O16S	884.391	NA	PeJP	NA	NA
+PJ065752	SSTLEYW 	C41H56N8O14	884.3916	NA	PeJP	NA	NA
+PJ065753	GSTCKKMM 	C34H64N10O11S3	884.3919	NA	PeJP	NA	NA
+PJ065754	SSCNRRY 	C34H56N14O12S	884.3923	NA	PeJP	NA	NA
+PJ065755	GGGGGGAPPCR 	C34H56N14O12S	884.3924	NA	PeJP	NA	NA
+PJ065756	AALMMYW 	C42H60N8O9S2	884.3925	NA	PeJP	NA	NA
+PJ065757	NDKHWW 	C42H52N12O10	884.393	NA	PeJP	NA	NA
+PJ065758	MFFFFF 	C50H56N6O7S	884.3932	NA	PeJP	NA	NA
+PJ065759	SVKEEMY 	C38H60N8O14S	884.395	NA	PeJP	NA	NA
+PJ065760	TLYYYY 	C46H56N6O12	884.3956	NA	PeJP	NA	NA
+PJ065761	PCLKMMY 	C39H64N8O9S3	884.3959	NA	PeJP	NA	NA
+PJ065762	GVQQMHW 	C39H56N12O10S	884.3963	NA	PeJP	NA	NA
+PJ065763	GGGLQMHW 	C39H56N12O10S	884.3964	NA	PeJP	NA	NA
+PJ065764	PPNWWW 	C47H52N10O8	884.397	NA	PeJP	NA	NA
+PJ065765	STTTTLMM 	C35H64N8O14S2	884.3984	NA	PeJP	NA	NA
+PJ065766	GSSSTQRY 	C35H56N12O15	884.3988	NA	PeJP	NA	NA
+PJ065767	SVEEEHR 	C35H56N12O15	884.3989	NA	PeJP	NA	NA
+PJ065768	TLKMMMM 	C36H68N8O9S4	884.3992	NA	PeJP	NA	NA
+PJ065769	EMMRRY 	C36H60N12O10S2	884.3997	NA	PeJP	NA	NA
+PJ065770	SPDHHHR 	C36H52N16O11	884.4002	NA	PeJP	NA	NA
+PJ065771	APPMHFW 	C44H56N10O8S	884.4004	NA	PeJP	NA	NA
+PJ065772	SSSQKYW 	C40H56N10O13	884.4029	NA	PeJP	NA	NA
+PJ065773	GNDMHRR 	C33H56N16O11S	884.4036	NA	PeJP	NA	NA
+PJ065774	VMMRYW 	C41H60N10O8S2	884.4037	NA	PeJP	NA	NA
+MJ096880	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-3-O-acetyl-?-D-2,6-dideoxy-ribo-hexopyranoside] 	C43H64O19	884.404179	NA	MeJP	NA	NA
+PJ065775	SNHRWW 	C41H52N14O9	884.4042	NA	PeJP	NA	NA
+PJ065776	SSLEMRY 	C37H60N10O13S	884.4062	NA	PeJP	NA	NA
+PJ065777	GGLLEEMH 	C37H60N10O13S	884.4063	NA	PeJP	NA	NA
+PJ065778	PKEYYW 	C45H56N8O11	884.4069	NA	PeJP	NA	NA
+PJ065779	GLMMMFR 	C38H64N10O8S3	884.4071	NA	PeJP	NA	NA
+PJ065780	QQMHRW 	C38H56N14O9S	884.4076	NA	PeJP	NA	NA
+PJ065781	SSSSSTTTK 	C33H60N10O18	884.4087	NA	PeJP	NA	NA
+PJ065782	SSSSKKMM 	C34H64N10O13S2	884.4096	NA	PeJP	NA	NA
+PJ065783	SNDKEHR 	C34H56N14O14	884.4101	NA	PeJP	NA	NA
+PJ065784	ATTLMYW 	C42H60N8O11S	884.4102	NA	PeJP	NA	NA
+PJ065785	PVVNMYY 	C42H60N8O11S	884.4103	NA	PeJP	NA	NA
+PJ065786	VFFFYY 	C50H56N6O9	884.4109	NA	PeJP	NA	NA
+PJ065787	GCCKRRY 	C35H60N14O9S2	884.411	NA	PeJP	NA	NA
+PJ065788	GNQHHHR 	C35H52N18O10	884.4114	NA	PeJP	NA	NA
+PJ065789	KMHHFW 	C43H56N12O7S	884.4116	NA	PeJP	NA	NA
+PJ065790	SSSSLLEY 	C38H60N8O16	884.4127	NA	PeJP	NA	NA
+PJ065791	GTTTTLEY 	C38H60N8O16	884.4128	NA	PeJP	NA	NA
+PJ065792	ALKEMMY 	C39H64N8O11S2	884.4136	NA	PeJP	NA	NA
+PJ065793	SPPNERW 	C39H56N12O12	884.4141	NA	PeJP	NA	NA
+PJ065794	SSNKMRY 	C36H60N12O12S	884.4175	NA	PeJP	NA	NA
+PJ065795	GPPDKWW 	C44H56N10O10	884.4181	NA	PeJP	NA	NA
+PJ065796	CQHRRW 	C37H56N16O8S	884.4188	NA	PeJP	NA	NA
+PJ065797	SSNEHRR 	C33H56N16O13	884.4213	NA	PeJP	NA	NA
+MJ096881	Asterias Neuropeptide S1 	C41H60N10O10S	884.421458	NA	MeJP	NA	NA
+PJ065798	GTCKKYW 	C41H60N10O10S	884.4215	NA	PeJP	NA	NA
+PJ065799	ALFYWW 	C49H56N8O8	884.4221	NA	PeJP	NA	NA
+PJ065800	GSSSKKEY 	C37H60N10O15	884.424	NA	PeJP	NA	NA
+PJ065801	ATLMMRY 	C38H64N10O10S2	884.4249	NA	PeJP	NA	NA
+PJ065802	GSDKHRW 	C38H56N14O11	884.4253	NA	PeJP	NA	NA
+PJ065803	GGGGAPQRW 	C38H56N14O11	884.4254	NA	PeJP	NA	NA
+PJ065804	AALMFFW 	C46H60N8O8S	884.4255	NA	PeJP	NA	NA
+PJ065805	TTTTLYW 	C42H60N8O13	884.428	NA	PeJP	NA	NA
+PJ065806	PPNDMRR 	C35H60N14O11S	884.4287	NA	PeJP	NA	NA
+PJ065807	PCLKMFF 	C43H64N8O8S2	884.4289	NA	PeJP	NA	NA
+PJ065808	GSPPRWW 	C43H56N12O9	884.4294	NA	PeJP	NA	NA
+PJ065809	TTLKEMY 	C39H64N8O13S	884.4314	NA	PeJP	NA	NA
+PJ065810	VVKMMMF 	C40H68N8O8S3	884.4323	NA	PeJP	NA	NA
+PJ065811	APPQMRW 	C40H60N12O9S	884.4327	NA	PeJP	NA	NA
+PJ065812	PLHFWW 	C48H56N10O7	884.4334	NA	PeJP	NA	NA
+PJ065813	GSSSTKRY 	C36H60N12O14	884.4352	NA	PeJP	NA	NA
+PJ065814	GGGGGPVQKE 	C36H60N12O14	884.4353	NA	PeJP	NA	NA
+PJ065815	GCKKMRY 	C37H64N12O9S2	884.4361	NA	PeJP	NA	NA
+PJ065816	GSSHRRW 	C37H56N16O10	884.4366	NA	PeJP	NA	NA
+PJ065817	LLMHWW 	C45H60N10O7S	884.4368	NA	PeJP	NA	NA
+PJ065818	SSSKKYW 	C41H60N10O12	884.4392	NA	PeJP	NA	NA
+PJ065819	TTLLDHW 	C41H60N10O12	884.4393	NA	PeJP	NA	NA
+PJ065820	GTQMHRR 	C34H60N16O10S	884.4399	NA	PeJP	NA	NA
+PJ065821	GGATMHRR 	C34H60N16O10S	884.44	NA	PeJP	NA	NA
+MJ096882	3-Hydroxyspirost-25(27)-en-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H68O18	884.440565	NA	MeJP	NA	NA
+MJ096883	Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 23-O-?-D-glucopyranoside 	C44H68O18	884.440565	NA	MeJP	NA	NA
+PJ065822	GVLHHHW 	C42H56N14O8	884.4406	NA	PeJP	NA	NA
+PJ065823	TTTLMRY 	C38H64N10O12S	884.4426	NA	PeJP	NA	NA
+PJ065824	LLQYYW 	C46H60N8O10	884.4433	NA	PeJP	NA	NA
+MJ096884	Cholestane-3,4,6,7,8,15,24-heptol, 24-O-[6-Deoxy-2,4-di-O-methyl-?-D-glucopyranosyl-(1?2)-6-deoxy-5-O-sulfo-?-D-galactofuranoside] 	C41H72O18S	884.443936	NA	MeJP	NA	NA
+MJ096885	Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[2,4-Di-O-methyl-?-D-xylopyranosyl-(1?2)-?-L-arabinofuranoside], 6-O-sulfate 	C41H72O18S	884.443936	NA	MeJP	NA	NA
+PJ065825	APPCRRW 	C39H60N14O8S	884.444	NA	PeJP	NA	NA
+PJ065826	APQEERR 	C35H60N14O13	884.4465	NA	PeJP	NA	NA
+PJ065827	APLKMYY 	C43H64N8O10S	884.4466	NA	PeJP	NA	NA
+PJ065828	PPLLEMW 	C43H64N8O10S	884.4467	NA	PeJP	NA	NA
+PJ065829	GNKHHHR 	C36H56N18O9	884.4478	NA	PeJP	NA	NA
+PJ065830	SSTTTLLY 	C39H64N8O15	884.4491	NA	PeJP	NA	NA
+PJ065831	GPVLLEEE 	C39H64N8O15	884.4492	NA	PeJP	NA	NA
+PJ065832	SLLKMMY 	C40H68N8O10S2	884.45	NA	PeJP	NA	NA
+PJ065833	GPLQERW 	C40H60N12O11	884.4505	NA	PeJP	NA	NA
+PJ065834	GTCHRRR 	C33H60N18O9S	884.4512	NA	PeJP	NA	NA
+PJ065835	LHHHRW 	C41H56N16O7	884.4518	NA	PeJP	NA	NA
+PJ065836	STCKKRY 	C37H64N12O11S	884.4538	NA	PeJP	NA	NA
+PJ065837	SLLEMHR 	C37H64N12O11S	884.4539	NA	PeJP	NA	NA
+PJ065838	APPTKWW 	C45H60N10O9	884.4545	NA	PeJP	NA	NA
+PJ065839	CKHRRW 	C38H60N16O7S	884.4552	NA	PeJP	NA	NA
+PJ065840	GPDERRR 	C34H60N16O12	884.4577	NA	PeJP	NA	NA
+PJ065841	SVLLMHW 	C42H64N10O9S	884.4579	NA	PeJP	NA	NA
+PJ065842	GSTTTKKY 	C38H64N10O14	884.4604	NA	PeJP	NA	NA
+PJ065843	CCLKKKY 	C39H68N10O9S2	884.4612	NA	PeJP	NA	NA
+PJ065844	GKKKMMY 	C39H68N10O9S2	884.4613	NA	PeJP	NA	NA
+PJ065845	AAPERRW 	C39H60N14O10	884.4617	NA	PeJP	NA	NA
+PJ065846	PVLLEEW 	C43H64N8O12	884.4644	NA	PeJP	NA	NA
+PJ065847	PPTQMRR 	C36H64N14O10S	884.4651	NA	PeJP	NA	NA
+PJ065848	PLQRWW 	C44H60N12O8	884.4657	NA	PeJP	NA	NA
+PJ065849	GAPLRWW 	C44H60N12O8	884.4658	NA	PeJP	NA	NA
+PJ065850	SPPVLLEM 	C40H68N8O12S	884.4678	NA	PeJP	NA	NA
+PJ065851	SSSHRRR 	C33H60N18O11	884.4689	NA	PeJP	NA	NA
+PJ065852	APPKMRW 	C41H64N12O8S	884.4691	NA	PeJP	NA	NA
+PJ065853	PVQKEER 	C37H64N12O13	884.4716	NA	PeJP	NA	NA
+PJ065854	GGGGGGGGALLL 	C37H64N12O13	884.4717	NA	PeJP	NA	NA
+PJ065855	VVLMMHR 	C38H68N12O8S2	884.4725	NA	PeJP	NA	NA
+PJ065856	PDRRRW 	C38H60N16O9	884.473	NA	PeJP	NA	NA
+PJ065857	PPTKKEW 	C42H64N10O11	884.4756	NA	PeJP	NA	NA
+PJ065858	GGPVLKEW 	C42H64N10O11	884.4757	NA	PeJP	NA	NA
+PJ065859	PPTCRRR 	C35H64N16O9S	884.4763	NA	PeJP	NA	NA
+MJ096886	3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid, 3-O-[?-L-Xylopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096887	Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096888	Polypodogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-L-rhamnopyranoside 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096889	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096890	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096891	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096892	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096893	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096894	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096895	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096896	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096897	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096898	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096899	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096900	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096901	Spirost-5-en-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096902	Spirost-5-ene-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096903	Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+MJ096904	Spirost-5-ene-3,26-diol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H72O17	884.47695	NA	MeJP	NA	NA
+C08894	Deltonin	C45H72O17	884.477	NA	KEGG	NA	NA
+C08901	Gracillin	C45H72O17	884.477	NA	KEGG	NA	NA
+PJ065860	STKKKMY 	C39H68N10O11S	884.479	NA	PeJP	NA	NA
+PJ065861	LLKYYW 	C47H64N8O9	884.4797	NA	PeJP	NA	NA
+PJ065862	KKMHRW 	C40H64N14O7S	884.4804	NA	PeJP	NA	NA
+PJ065863	SPLQERR 	C36H64N14O12	884.4828	NA	PeJP	NA	NA
+PJ065864	APKEERR 	C36H64N14O12	884.4829	NA	PeJP	NA	NA
+MJ096905	Cycloamanide D 	C44H68N8O9S	884.482996	NA	MeJP	NA	NA
+PJ065865	ALLKMFY 	C44H68N8O9S	884.483	NA	PeJP	NA	NA
+PJ065866	NHFRRR 	C37H60N18O8	884.4842	NA	PeJP	NA	NA
+PJ065867	APTLLLEE 	C40H68N8O14	884.4855	NA	PeJP	NA	NA
+PJ065868	APPLLLMM 	C41H72N8O9S2	884.4864	NA	PeJP	NA	NA
+PJ065869	GPLKERW 	C41H64N12O10	884.4869	NA	PeJP	NA	NA
+PJ065870	PLLQQMR 	C38H68N12O10S	884.4902	NA	PeJP	NA	NA
+PJ065871	PPKKEMR 	C38H68N12O10S	884.4903	NA	PeJP	NA	NA
+PJ065872	GPVLKWW 	C46H64N10O8	884.4909	NA	PeJP	NA	NA
+PJ065873	APTERRR 	C35H64N16O11	884.4941	NA	PeJP	NA	NA
+PJ065874	PPVKKMW 	C43H68N10O8S	884.4943	NA	PeJP	NA	NA
+PJ065875	STTTLLLH 	C39H68N10O13	884.4968	NA	PeJP	NA	NA
+PJ065876	LLLKMMH 	C40H72N10O8S2	884.4976	NA	PeJP	NA	NA
+PJ065877	GPTLRRW 	C40H64N14O9	884.4981	NA	PeJP	NA	NA
+PJ065878	SVLLKYY 	C44H68N8O11	884.5008	NA	PeJP	NA	NA
+PJ065879	PPTKMRR 	C37H68N14O9S	884.5015	NA	PeJP	NA	NA
+PJ065880	PLKRWW 	C45H64N12O7	884.5021	NA	PeJP	NA	NA
+PJ065881	GPLLLLEM 	C41H72N8O11S	884.5042	NA	PeJP	NA	NA
+PJ065882	AAQQRRR 	C34H64N18O10	884.5053	NA	PeJP	NA	NA
+MJ096906	12-Hydroxydaphnetoxin; 12?-form, 12-(2Z,4Z,6Z-Decatrienoyl), 20-hexadecanoyl 	C53H72O11	884.507463	NA	MeJP	NA	NA
+PJ065883	PVKKEER 	C38H68N12O12	884.508	NA	PeJP	NA	NA
+PJ065884	GPPFRRR 	C39H64N16O8	884.5094	NA	PeJP	NA	NA
+PJ065885	PVVKKEW 	C43H68N10O10	884.512	NA	PeJP	NA	NA
+PJ065886	GPLMRRR 	C36H68N16O8S	884.5127	NA	PeJP	NA	NA
+MJ096907	12-Oleanene-3,16,28-triol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C46H76O16	884.513336	NA	MeJP	NA	NA
+MJ096908	3,20,21-Trihydroxydammar-24-en-19-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C46H76O16	884.513336	NA	MeJP	NA	NA
+PJ065887	APPTLKKM 	C40H72N10O10S	884.5154	NA	PeJP	NA	NA
+PJ065888	ALLKFFF 	C48H68N8O8	884.516	NA	PeJP	NA	NA
+PJ065889	PPLLLFW 	C48H68N8O8	884.5161	NA	PeJP	NA	NA
+PJ065890	NQRRRR 	C33H64N20O9	884.5166	NA	PeJP	NA	NA
+2580	tenecin-1 (35-43)	NGKRVCVCRG	884.5169	antibacterial	Inhouse_peptide	NA	peptide
+2581	tenecin-1 (34-43)	CNGKRVCVCRG	884.5169	antibacterial	Inhouse_peptide	NA	peptide
+PJ065891	SPLKERR 	C37H68N14O11	884.5192	NA	PeJP	NA	NA
+PJ065892	GAALLERR 	C37H68N14O11	884.5193	NA	PeJP	NA	NA
+PJ065893	PLLLLMW 	C45H72N8O8S	884.5194	NA	PeJP	NA	NA
+PJ065894	GVLLLLEE 	C41H72N8O13	884.5219	NA	PeJP	NA	NA
+PJ065895	SPVLKRW 	C42H68N12O9	884.5233	NA	PeJP	NA	NA
+MJ096909	Foromacidin A; 3-Ac 	C45H76N2O15	884.524569	NA	MeJP	NA	NA
+C12891	Acetylspiramycin	C45H76N2O15	884.5246	NA	KEGG	NA	NA
+C12892	Transferred to D01445	C45H76N2O15	884.5246	NA	KEGG	NA	NA
+PJ065896	PLLQKMR 	C39H72N12O9S	884.5266	NA	PeJP	NA	NA
+PJ065897	GVLERRR 	C36H68N16O10	884.5305	NA	PeJP	NA	NA
+PJ065898	ATLLLLNQ 	C40H72N10O12	884.5331	NA	PeJP	NA	NA
+PJ065899	LLLLEER 	C40H72N10O12	884.5332	NA	PeJP	NA	NA
+PJ065900	AALLRRW 	C41H68N14O8	884.5345	NA	PeJP	NA	NA
+PJ065901	VLLLLEW 	C45H72N8O10	884.5372	NA	PeJP	NA	NA
+PJ065902	PVVKMRR 	C38H72N14O8S	884.5379	NA	PeJP	NA	NA
+PJ065903	SPVLLLLM 	C42H76N8O10S	884.5406	NA	PeJP	NA	NA
+HMDB09795	PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09796	PI(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09804	PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09832	PI(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09833	PI(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09844	PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09845	PI(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09854	PI(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09855	PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09883	PI(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09890	PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09895	PI(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09896	PI(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09901	PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09902	PI(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09908	PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09916	PI(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+HMDB09918	PI(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	C47H81O13P	884.541504	NA	HMDB2010	NA	NA
+PJ065904	LERRRR 	C35H68N18O9	884.5417	NA	PeJP	NA	NA
+PJ065905	VLLQKER 	C39H72N12O11	884.5444	NA	PeJP	NA	NA
+PJ065906	VLRRRW 	C40H68N16O7	884.5457	NA	PeJP	NA	NA
+PJ065907	PTLLKKW 	C44H72N10O9	884.5484	NA	PeJP	NA	NA
+MJ096910	Antibiotic A 80789 	C47H80O15	884.549721	NA	MeJP	NA	NA
+MJ096911	Carriomycin 	C47H80O15	884.549721	NA	MeJP	NA	NA
+MJ096912	Maduramicin ? 	C47H80O15	884.549721	NA	MeJP	NA	NA
+MJ096913	Nanhumycin 	C47H80O15	884.549721	NA	MeJP	NA	NA
+PJ065908	GPVLLKKM 	C41H76N10O9S	884.5518	NA	PeJP	NA	NA
+PJ065909	NKRRRR 	C34H68N20O8	884.5529	NA	PeJP	NA	NA
+PJ065910	GGKRRRR 	C34H68N20O8	884.553	NA	PeJP	NA	NA
+PJ065911	ALLKERR 	C38H72N14O10	884.5556	NA	PeJP	NA	NA
+PJ065912	ATLLLLLE 	C42H76N8O12	884.5583	NA	PeJP	NA	NA
+PJ065913	AVLLKRW 	C43H72N12O8	884.5596	NA	PeJP	NA	NA
+PJ065914	GLLLKRW 	C43H72N12O8	884.5597	NA	PeJP	NA	NA
+PJ065915	PLLKKMR 	C40H76N12O8S	884.563	NA	PeJP	NA	NA
+PJ065916	ATLLRRR 	C37H72N16O9	884.5669	NA	PeJP	NA	NA
+PJ065917	AALLLKKE 	C41H76N10O11	884.5695	NA	PeJP	NA	NA
+PJ065918	GVVLLKKE 	C41H76N10O11	884.5696	NA	PeJP	NA	NA
+PJ065919	GPLLLLLF 	C46H76N8O9	884.5736	NA	PeJP	NA	NA
+PJ065920	GLLLLLLM 	C43H80N8O9S	884.5769	NA	PeJP	NA	NA
+PJ065921	AAKKRRR 	C36H72N18O8	884.5781	NA	PeJP	NA	NA
+PJ065922	VLLKKER 	C40H76N12O10	884.5808	NA	PeJP	NA	NA
+PJ065923	VVLLKKW 	C45H76N10O8	884.5848	NA	PeJP	NA	NA
+MJ096914	Alborixin 	C48H84O14	884.586107	NA	MeJP	NA	NA
+PJ065924	SLLLKRR 	C39H76N14O9	884.592	NA	PeJP	NA	NA
+PJ065925	STLLLLLL 	C43H80N8O11	884.5947	NA	PeJP	NA	NA
+PJ065926	GLKKKRR 	C38H76N16O8	884.6032	NA	PeJP	NA	NA
+PJ065927	GTLLLLKK 	C42H80N10O10	884.6059	NA	PeJP	NA	NA
+PJ065928	LLQKKKK 	C41H80N12O9	884.6172	NA	PeJP	NA	NA
+PJ065929	VVKKKKR 	C40H80N14O8	884.6284	NA	PeJP	NA	NA
+PJ065930	LLKKKKK 	C42H84N12O8	884.6536	NA	PeJP	NA	NA
+MJ096915	2-Amino-17-methyl-1,3,4-octadecanetriol, N-Tetracosanoyl, 1-O-(2-acetamido-2-deoxy-?-D-glucopyranoside) 	C51H100N2O9	884.742882	NA	MeJP	NA	NA
+HMDB05389	TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	C57H104O6	884.78326	http://www.hmdb.ca/metabolites/HMDB05389	HMDB	NA	NA
+HMDB05405	TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C57H104O6	884.78326	http://www.hmdb.ca/metabolites/HMDB05405	HMDB	NA	NA
+HMDB05439	TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6]	C57H104O6	884.78326	http://www.hmdb.ca/metabolites/HMDB05439	HMDB	NA	NA
+HMDB05444	TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	C57H104O6	884.78326	http://www.hmdb.ca/metabolites/HMDB05444	HMDB	NA	NA
+HMDB05453	Triolein	C57H104O6	884.78326	http://www.hmdb.ca/metabolites/HMDB05453	HMDB	NA	NA
+HMDB05389	TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	C57H104O6	884.78326	HMDB05389	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05405	TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C57H104O6	884.78326	HMDB05405	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05439	TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6]	C57H104O6	884.78326	HMDB05439	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05444	TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	C57H104O6	884.78326	HMDB05444	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05453	Triolein	C57H104O6	884.78326	HMDB05453	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05389	TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB05405	TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB05439	TG(16:1(9Z)/18:1(9Z)/20:1(11Z))[iso6]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB05444	TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB05453	TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB10447	TG(18:1(11Z)/18:0/18:2(9Z,12Z))[iso6]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB10452	TG(18:1(9Z)/16:0/20:2(11Z,14Z))[iso6]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+HMDB10457	TG(18:1(9Z)/18:1(11Z)/18:1(9Z))[iso3]	C57H104O6	884.783264	NA	HMDB2010	NA	NA
+MJ096916	Glycerol tri-6-octadecenoate 	C57H104O6	884.783291	NA	MeJP	NA	NA
+MJ096917	Glycerol tri-9-octadecenoate 	C57H104O6	884.783291	NA	MeJP	NA	NA
+5417	NA	KWKLFKKIGAVLKVL	885.0735	MH2+	Inhouse_peptide	NA	peptide
+HMDB06503	Phenylacetyl-CoA	C29H42N7O17P3S	885.15704	http://www.hmdb.ca/metabolites/HMDB06503	HMDB	NA	NA
+HMDB06503	Phenylacetyl-CoA	C29H42N7O17P3S	885.15704	HMDB06503	PFEM_hmdb_metabocards_official	NA	NA
+MJ096918	Phenylacetyl-CoA 	C29H42N7O17P3S	885.157073	NA	MeJP	NA	NA
+MetaCyc04239	3-methylbenzoyl-CoA []	C29H42N7O17P3S1	885.157073	NA	metacyc	NA	NA
+MetaCyc04240	phenylacetyl-CoA [phenylacetate-CoA;]	C29H42N7O17P3S1	885.157073	NA	metacyc	NA	NA
+C00582	Phenylacetyl-CoA	C29H42N7O17P3S	885.1571	NA	KEGG	NA	NA
+HMDB06503	Phenylacetyl-CoA	C29H42N7O17P3S	885.157104	NA	HMDB2010	NA	NA
+HMDB11636	Salicyl CoA	C29H42N7O17P3S	885.157104	NA	HMDB2010	NA	NA
+PJ065931	SCCCCCQH 	C29H47N11O11S5	885.206	NA	PeJP	NA	NA
+PJ065932	GGTCCCCCH 	C29H47N11O11S5	885.2061	NA	PeJP	NA	NA
+PJ065933	SCCNDDDD 	C29H43N9O19S2	885.2117	NA	PeJP	NA	NA
+PJ065934	PCCCCNDE 	C30H47N9O14S4	885.2126	NA	PeJP	NA	NA
+PJ065935	CCCCEYY 	C35H47N7O12S4	885.2166	NA	PeJP	NA	NA
+PJ065936	GSSSCCCCH 	C29H47N11O13S4	885.2238	NA	PeJP	NA	NA
+PJ065937	GPCCCCDW 	C34H47N9O11S4	885.2278	NA	PeJP	NA	NA
+PJ065938	GCCNDDEM 	C30H47N9O16S3	885.2303	NA	PeJP	NA	NA
+PJ065939	GPPTCCCCC 	C31H51N9O11S5	885.2312	NA	PeJP	NA	NA
+PJ065940	GCCCCNHF 	C33H47N11O10S4	885.2391	NA	PeJP	NA	NA
+PJ065941	GCCCDDDR 	C29H47N11O15S3	885.2416	NA	PeJP	NA	NA
+PJ065942	SCCCCCKH 	C30H51N11O10S5	885.2424	NA	PeJP	NA	NA
+PJ065943	CCNDDMW 	C34H47N9O13S3	885.2456	NA	PeJP	NA	NA
+PJ065944	SSCNDDDM 	C30H47N9O18S2	885.2481	NA	PeJP	NA	NA
+PJ065945	SPCCCNEM 	C31H51N9O13S4	885.249	NA	PeJP	NA	NA
+PJ065946	CCMMMMH 	C32H55N9O8S6	885.2498	NA	PeJP	NA	NA
+PJ065947	DDDDDEY 	C34H43N7O21	885.2512	NA	PeJP	NA	NA
+PJ065948	TCCCMYY 	C36H51N7O11S4	885.253	NA	PeJP	NA	NA
+PJ065949	DDDEMMM 	C32H51N7O16S3	885.2555	NA	PeJP	NA	NA
+PJ065950	GSCCCNNW 	C33H47N11O12S3	885.2568	NA	PeJP	NA	NA
+PJ065951	GSSSCCNND 	C29H47N11O17S2	885.2593	NA	PeJP	NA	NA
+PJ065952	SPCCCCDR 	C30H51N11O12S4	885.2602	NA	PeJP	NA	NA
+PJ065953	GCCCEWW 	C38H47N9O10S3	885.2608	NA	PeJP	NA	NA
+PJ065954	GSSCCDEW 	C34H47N9O15S2	885.2633	NA	PeJP	NA	NA
+PJ065955	GGGPCCDDY 	C34H47N9O15S2	885.2634	NA	PeJP	NA	NA
+PJ065956	GSPCCCMW 	C35H51N9O10S4	885.2642	NA	PeJP	NA	NA
+PJ065957	GSSSSCDDE 	C30H47N9O20S	885.2658	NA	PeJP	NA	NA
+PJ065958	GSCNDEMM 	C31H51N9O15S3	885.2667	NA	PeJP	NA	NA
+PJ065959	GCCDYYY 	C39H47N7O13S2	885.2674	NA	PeJP	NA	NA
+PJ065960	GPCCNMMM 	C32H55N9O10S5	885.2676	NA	PeJP	NA	NA
+PJ065961	DDDDEMF 	C35H47N7O18S	885.2699	NA	PeJP	NA	NA
+PJ065962	GCCCCNQR 	C29H51N13O11S4	885.2714	NA	PeJP	NA	NA
+PJ065963	GCCNNNDF 	C33H47N11O14S2	885.2746	NA	PeJP	NA	NA
+PJ065964	CCCWWW 	C42H47N9O7S3	885.2761	NA	PeJP	NA	NA
+PJ065965	SSCCNNQM 	C30H51N11O14S3	885.2779	NA	PeJP	NA	NA
+PJ065966	GSCCDDMR 	C30H51N11O14S3	885.278	NA	PeJP	NA	NA
+PJ065967	SSCCDWW 	C38H47N9O12S2	885.2786	NA	PeJP	NA	NA
+PJ065968	APCCCCMR 	C31H55N11O9S5	885.2788	NA	PeJP	NA	NA
+PJ065969	SSSSCDDW 	C34H47N9O17S	885.2811	NA	PeJP	NA	NA
+PJ065970	SCNDMMW 	C35H51N9O12S3	885.282	NA	PeJP	NA	NA
+PJ065971	CCCHHHF 	C36H47N13O8S3	885.2833	NA	PeJP	NA	NA
+PJ065972	SSSSSSDDD 	C30H47N9O22	885.2836	NA	PeJP	NA	NA
+PJ065973	SSSNDDMM 	C31H51N9O17S2	885.2845	NA	PeJP	NA	NA
+PJ065974	NNDMMMM 	C32H55N9O12S4	885.2853	NA	PeJP	NA	NA
+PJ065975	GGGGDMMMM 	C32H55N9O12S4	885.2854	NA	PeJP	NA	NA
+PJ065976	GSCCNEHH 	C32H47N13O13S2	885.2858	NA	PeJP	NA	NA
+PJ065977	GCCMFYY 	C40H51N7O10S3	885.286	NA	PeJP	NA	NA
+PJ065978	SDDEEEY 	C35H47N7O20	885.2876	NA	PeJP	NA	NA
+PJ065979	PDDDMMY 	C36H51N7O15S2	885.2885	NA	PeJP	NA	NA
+PJ065980	SSCCCNNR 	C29H51N13O13S3	885.2892	NA	PeJP	NA	NA
+PJ065981	SEEEMMM 	C33H55N7O15S3	885.2919	NA	PeJP	NA	NA
+PJ065982	GSCNNNDY 	C33H47N11O16S	885.2923	NA	PeJP	NA	NA
+PJ065983	GGGGGGGSCDY 	C33H47N11O16S	885.2924	NA	PeJP	NA	NA
+PJ065984	PDMMMMM 	C34H59N7O10S5	885.2927	NA	PeJP	NA	NA
+PJ065985	SCCCERW 	C34H51N11O11S3	885.2932	NA	PeJP	NA	NA
+PJ065986	SSSCCDER 	C30H51N11O16S2	885.2957	NA	PeJP	NA	NA
+PJ065987	ACNDDYW 	C38H47N9O14S	885.2963	NA	PeJP	NA	NA
+PJ065988	GCNDEYW 	C38H47N9O14S	885.2964	NA	PeJP	NA	NA
+PJ065989	CCNEMMR 	C31H55N11O11S4	885.2966	NA	PeJP	NA	NA
+PJ065990	GTCCMWW 	C39H51N9O9S3	885.2972	NA	PeJP	NA	NA
+PJ065991	GSSNDDEY 	C34H47N9O19	885.2989	NA	PeJP	NA	NA
+PJ065992	GSSSCEMW 	C35H51N9O14S2	885.2997	NA	PeJP	NA	NA
+PJ065993	GCQMMMW 	C36H55N9O9S4	885.3006	NA	PeJP	NA	NA
+PJ065994	SCCNHHW 	C36H47N13O10S2	885.3011	NA	PeJP	NA	NA
+PJ065995	GSSSSSDEM 	C31H51N9O19S	885.3022	NA	PeJP	NA	NA
+PJ065996	PDDDDFY 	C39H47N7O17	885.3029	NA	PeJP	NA	NA
+PJ065997	GSSNEMMM 	C32H55N9O14S3	885.3031	NA	PeJP	NA	NA
+PJ065998	SSSCNDHH 	C32H47N13O15S	885.3036	NA	PeJP	NA	NA
+PJ065999	GSCMYYY 	C40H51N7O12S2	885.3037	NA	PeJP	NA	NA
+PJ066000	APCCCKMM 	C33H59N9O9S5	885.304	NA	PeJP	NA	NA
+PJ066001	CNNMMHH 	C33H51N13O10S3	885.3044	NA	PeJP	NA	NA
+PJ066002	GGGGCMMHH 	C33H51N13O10S3	885.3045	NA	PeJP	NA	NA
+PJ066003	ADEEEMY 	C36H51N7O17S	885.3062	NA	PeJP	NA	NA
+PJ066004	GEEEEMY 	C36H51N7O17S	885.3063	NA	PeJP	NA	NA
+PJ066005	PDDMMMF 	C37H55N7O12S3	885.3071	NA	PeJP	NA	NA
+PJ066006	PCNDDHW 	C37H47N11O13S	885.3076	NA	PeJP	NA	NA
+PJ066007	CCCDMRR 	C30H55N13O10S4	885.3078	NA	PeJP	NA	NA
+PJ066008	NNDEEEH 	C33H47N11O18	885.3101	NA	PeJP	NA	NA
+PJ066009	VDEMMMM 	C34H59N7O12S4	885.3105	NA	PeJP	NA	NA
+PJ066010	CNNNQMY 	C34H51N11O13S2	885.3109	NA	PeJP	NA	NA
+PJ066011	GGCNNQMY 	C34H51N11O13S2	885.311	NA	PeJP	NA	NA
+PJ066012	CNDYWW 	C42H47N9O11S	885.3116	NA	PeJP	NA	NA
+PJ066013	GCCMMRW 	C35H55N11O8S4	885.3118	NA	PeJP	NA	NA
+PJ066014	SSSSSSCNQ 	C30H51N11O18S	885.3134	NA	PeJP	NA	NA
+PJ066015	GGSSSSSSCQ 	C30H51N11O18S	885.3135	NA	PeJP	NA	NA
+PJ066016	SSNDDYW 	C38H47N9O16	885.3141	NA	PeJP	NA	NA
+PJ066017	GSSCDMMR 	C31H55N11O13S3	885.3143	NA	PeJP	NA	NA
+PJ066018	GCNNNNNH 	C31H47N15O14S	885.3148	NA	PeJP	NA	NA
+PJ066019	SSSCMWW 	C39H51N9O11S2	885.315	NA	PeJP	NA	NA
+PJ066020	CCCQHHR 	C32H51N15O9S3	885.3157	NA	PeJP	NA	NA
+PJ066021	SSSSSDMW 	C35H51N9O16S	885.3175	NA	PeJP	NA	NA
+PJ066022	SSNMMMW 	C36H55N9O11S3	885.3183	NA	PeJP	NA	NA
+PJ066023	GGSSMMMW 	C36H55N9O11S3	885.3184	NA	PeJP	NA	NA
+PJ066024	CNNDHHF 	C36H47N13O12S	885.3188	NA	PeJP	NA	NA
+PJ066025	GCCFFFY 	C44H51N7O9S2	885.319	NA	PeJP	NA	NA
+PJ066026	SSSSSSSEE 	C31H51N9O21	885.32	NA	PeJP	NA	NA
+PJ066027	SSSSQEMM 	C32H55N9O16S2	885.3208	NA	PeJP	NA	NA
+PJ066028	GGSSSTEMM 	C32H55N9O16S2	885.3209	NA	PeJP	NA	NA
+PJ066029	NDDDDHR 	C32H47N13O17	885.3213	NA	PeJP	NA	NA
+PJ066030	GGGGGGGSDEH 	C32H47N13O17	885.3214	NA	PeJP	NA	NA
+PJ066031	EEEMYW 	C40H51N7O14S	885.3215	NA	PeJP	NA	NA
+PJ066032	SQQMMMM 	C33H59N9O11S4	885.3217	NA	PeJP	NA	NA
+PJ066033	CCNNNRY 	C33H51N13O12S2	885.3222	NA	PeJP	NA	NA
+PJ066034	STEEEEY 	C36H51N7O19	885.324	NA	PeJP	NA	NA
+PJ066035	SPEEMMY 	C37H55N7O14S2	885.3249	NA	PeJP	NA	NA
+PJ066036	ANDDEHW 	C37H47N11O15	885.3253	NA	PeJP	NA	NA
+PJ066037	GNDEEHW 	C37H47N11O15	885.3254	NA	PeJP	NA	NA
+PJ066038	GCCDFRW 	C38H51N11O10S2	885.3262	NA	PeJP	NA	NA
+PJ066039	SCNDERY 	C34H51N11O15S	885.3287	NA	PeJP	NA	NA
+PJ066040	STCCMRW 	C35H55N11O10S3	885.3296	NA	PeJP	NA	NA
+PJ066041	SCEHHHH 	C35H47N15O11S	885.3301	NA	PeJP	NA	NA
+PJ066042	CNMFWW 	C43H51N9O8S2	885.3302	NA	PeJP	NA	NA
+PJ066043	GSSSSSSSSN 	C30H51N11O20	885.3312	NA	PeJP	NA	NA
+PJ066044	SSSSCEMR 	C31H55N11O15S2	885.3321	NA	PeJP	NA	NA
+PJ066045	GSNEMYW 	C39H51N9O13S	885.3327	NA	PeJP	NA	NA
+PJ066046	GPPPCDDW 	C39H51N9O13S	885.3328	NA	PeJP	NA	NA
+PJ066047	SCQMMMR 	C32H59N11O10S4	885.3329	NA	PeJP	NA	NA
+PJ066048	TCNMMMR 	C32H59N11O10S4	885.333	NA	PeJP	NA	NA
+PJ066049	GSSCCHHR 	C32H51N15O11S2	885.3334	NA	PeJP	NA	NA
+PJ066050	PCCCKFW 	C40H55N9O8S3	885.3336	NA	PeJP	NA	NA
+PJ066051	GSSSQEEY 	C35H51N9O18	885.3352	NA	PeJP	NA	NA
+PJ066052	LDDEEEH 	C35H51N9O18	885.3353	NA	PeJP	NA	NA
+PJ066053	GSSSTMMW 	C36H55N9O13S2	885.3361	NA	PeJP	NA	NA
+PJ066054	SNNNDHW 	C36H47N13O14	885.3366	NA	PeJP	NA	NA
+PJ066055	CQFYYY 	C44H51N7O11S	885.3367	NA	PeJP	NA	NA
+PJ066056	GACFYYY 	C44H51N7O11S	885.3368	NA	PeJP	NA	NA
+PJ066057	GCKMMMW 	C37H59N9O8S4	885.337	NA	PeJP	NA	NA
+PJ066058	GSSSSTTEM 	C32H55N9O18S	885.3386	NA	PeJP	NA	NA
+PJ066059	GPEEEYY 	C40H51N7O16	885.3393	NA	PeJP	NA	NA
+PJ066060	GSSDKMMM 	C33H59N9O13S3	885.3395	NA	PeJP	NA	NA
+PJ066061	SSSSNMHH 	C33H51N13O14S	885.3399	NA	PeJP	NA	NA
+PJ066062	GSPCDDHR 	C33H51N13O14S	885.34	NA	PeJP	NA	NA
+PJ066063	PPCEMFY 	C41H55N7O11S2	885.3401	NA	PeJP	NA	NA
+PJ066064	NDEHWW 	C41H47N11O12	885.3406	NA	PeJP	NA	NA
+PJ066065	APPCCCHR 	C34H55N13O9S3	885.3408	NA	PeJP	NA	NA
+PJ066066	SVEEEMY 	C37H55N7O16S	885.3426	NA	PeJP	NA	NA
+PJ066067	PVDMMMY 	C38H59N7O11S3	885.3435	NA	PeJP	NA	NA
+PJ066068	GSCDRYW 	C38H51N11O12S	885.344	NA	PeJP	NA	NA
+PJ066069	SCCMMRR 	C31H59N13O9S4	885.3442	NA	PeJP	NA	NA
+PJ066070	GSSSDDRY 	C34H51N11O17	885.3465	NA	PeJP	NA	NA
+PJ066071	TLEMMMM 	C35H63N7O11S4	885.3469	NA	PeJP	NA	NA
+PJ066072	GNDMMRY 	C35H55N11O12S2	885.3473	NA	PeJP	NA	NA
+PJ066073	GGGDMMRY 	C35H55N11O12S2	885.3474	NA	PeJP	NA	NA
+PJ066074	SNMYWW 	C43H51N9O10S	885.348	NA	PeJP	NA	NA
+PJ066075	GMMHHHH 	C36H51N15O8S2	885.3487	NA	PeJP	NA	NA
+PJ066076	SSSSSSCNK 	C31H55N11O17S	885.3498	NA	PeJP	NA	NA
+PJ066077	SSSQEYW 	C39H51N9O15	885.3505	NA	PeJP	NA	NA
+PJ066078	GSSSMMMR 	C32H59N11O12S3	885.3507	NA	PeJP	NA	NA
+PJ066079	CNNNEHR 	C32H51N15O13S	885.3512	NA	PeJP	NA	NA
+PJ066080	QQMMYW 	C40H55N9O10S2	885.3514	NA	PeJP	NA	NA
+PJ066081	CCCKHHR 	C33H55N15O8S3	885.3521	NA	PeJP	NA	NA
+PJ066082	SSSSTTMW 	C36H55N9O15S	885.3539	NA	PeJP	NA	NA
+PJ066083	PEEYYW 	C44H51N7O13	885.3545	NA	PeJP	NA	NA
+PJ066084	STCKMMW 	C37H59N9O10S3	885.3547	NA	PeJP	NA	NA
+PJ066085	GGGGVMMMF 	C37H59N9O10S3	885.3548	NA	PeJP	NA	NA
+PJ066086	GNNQMHW 	C37H51N13O11S	885.3552	NA	PeJP	NA	NA
+PJ066087	GDHWWW 	C45H47N11O9	885.3559	NA	PeJP	NA	NA
+PJ066088	SSSSSTTTE 	C32H55N9O20	885.3563	NA	PeJP	NA	NA
+PJ066089	SSSSKEMM 	C33H59N9O15S2	885.3572	NA	PeJP	NA	NA
+PJ066090	SNDEEHR 	C33H51N13O16	885.3577	NA	PeJP	NA	NA
+PJ066091	GGGGGGGGGGAPE 	C33H51N13O16	885.3578	NA	PeJP	NA	NA
+PJ066092	SPPEMYY 	C41H55N7O13S	885.3579	NA	PeJP	NA	NA
+PJ066093	SQKMMMM 	C34H63N9O10S4	885.3581	NA	PeJP	NA	NA
+PJ066094	GCCERRY 	C34H55N13O11S2	885.3586	NA	PeJP	NA	NA
+PJ066095	NNNNHHH 	C34H47N17O12	885.359	NA	PeJP	NA	NA
+PJ066096	GGNNNHHH 	C34H47N17O12	885.3591	NA	PeJP	NA	NA
+PJ066097	GPTCHWW 	C42H51N11O9S	885.3592	NA	PeJP	NA	NA
+PJ066098	ALEEMMY 	C38H59N7O13S2	885.3613	NA	PeJP	NA	NA
+PJ066099	GTQEEHW 	C38H51N11O14	885.3617	NA	PeJP	NA	NA
+PJ066100	GGGGGSPPDW 	C38H51N11O14	885.3618	NA	PeJP	NA	NA
+PJ066101	PVMMMMF 	C39H63N7O8S4	885.3621	NA	PeJP	NA	NA
+PJ066102	CQMRYW 	C39H55N11O9S2	885.3626	NA	PeJP	NA	NA
+PJ066103	GDHHHHF 	C39H47N15O10	885.3631	NA	PeJP	NA	NA
+PJ066104	CHFFFW 	C47H51N9O7S	885.3633	NA	PeJP	NA	NA
+PJ066105	SSNEMRY 	C35H55N11O14S	885.3651	NA	PeJP	NA	NA
+PJ066106	VLMMMMM 	C36H67N7O8S5	885.3655	NA	PeJP	NA	NA
+PJ066107	GSSTYWW 	C43H51N9O12	885.3657	NA	PeJP	NA	NA
+PJ066108	GPPDEWW 	C43H51N9O12	885.3658	NA	PeJP	NA	NA
+PJ066109	GNMMMFR 	C36H59N11O9S3	885.366	NA	PeJP	NA	NA
+PJ066110	GCNNHRW 	C36H51N15O10S	885.3664	NA	PeJP	NA	NA
+PJ066111	GGGCNHRW 	C36H51N15O10S	885.3665	NA	PeJP	NA	NA
+PJ066112	SSSSTMMR 	C32H59N11O14S2	885.3685	NA	PeJP	NA	NA
+PJ066113	GSSNNDHR 	C32H51N15O15	885.3689	NA	PeJP	NA	NA
+PJ066114	GGGSSNDHR 	C32H51N15O15	885.369	NA	PeJP	NA	NA
+PJ066115	GSDKMYW 	C40H55N9O12S	885.3691	NA	PeJP	NA	NA
+PJ066116	SCKMMMR 	C33H63N11O9S4	885.3693	NA	PeJP	NA	NA
+PJ066117	ACCCCKKK 	C33H63N11O9S4	885.3694	NA	PeJP	NA	NA
+PJ066118	PCCDHRR 	C33H55N15O10S2	885.3698	NA	PeJP	NA	NA
+PJ066119	GSSSKEEY 	C36H55N9O17	885.3716	NA	PeJP	NA	NA
+PJ066120	GQKEMMY 	C37H59N9O12S2	885.3725	NA	PeJP	NA	NA
+PJ066121	GSDEHRW 	C37H51N13O13	885.373	NA	PeJP	NA	NA
+PJ066122	CKFYYY 	C45H55N7O10S	885.3731	NA	PeJP	NA	NA
+PJ066123	PPCEFFF 	C45H55N7O10S	885.3732	NA	PeJP	NA	NA
+PJ066124	CCRRYW 	C38H55N13O8S2	885.3738	NA	PeJP	NA	NA
+PJ066125	SSSSSSTLM 	C33H59N9O17S	885.375	NA	PeJP	NA	NA
+PJ066126	SPVEEYY 	C41H55N7O15	885.3756	NA	PeJP	NA	NA
+PJ066127	GLEEEFY 	C41H55N7O15	885.3757	NA	PeJP	NA	NA
+PJ066128	GSTTKMMM 	C34H63N9O12S3	885.3759	NA	PeJP	NA	NA
+PJ066129	SSCDRRY 	C34H55N13O13S	885.3763	NA	PeJP	NA	NA
+PJ066130	GGAEEMHR 	C34H55N13O13S	885.3764	NA	PeJP	NA	NA
+PJ066131	PPCLMYY 	C42H59N7O10S2	885.3765	NA	PeJP	NA	NA
+PJ066132	TQEHWW 	C42H51N11O11	885.377	NA	PeJP	NA	NA
+PJ066133	ACCMFRR 	C35H59N13O8S3	885.3772	NA	PeJP	NA	NA
+PJ066134	TTLEEMY 	C38H59N7O15S	885.379	NA	PeJP	NA	NA
+PJ066135	PTLMMMY 	C39H63N7O10S3	885.3799	NA	PeJP	NA	NA
+PJ066136	GSSMRYW 	C39H55N11O11S	885.3804	NA	PeJP	NA	NA
+PJ066137	PPDWWW 	C47H51N9O9	885.381	NA	PeJP	NA	NA
+PJ066138	SSSSNNKY 	C35H55N11O16	885.3828	NA	PeJP	NA	NA
+PJ066139	GSSSTERY 	C35H55N11O16	885.3829	NA	PeJP	NA	NA
+PJ066140	GTQMMRY 	C36H59N11O11S2	885.3837	NA	PeJP	NA	NA
+PJ066141	AQQEHHH 	C36H51N15O12	885.3842	NA	PeJP	NA	NA
+PJ066142	TCKYWW 	C44H55N9O9S	885.3844	NA	PeJP	NA	NA
+PJ066143	SSSKEYW 	C40H55N9O14	885.3869	NA	PeJP	NA	NA
+PJ066144	SSCCCKKK 	C33H63N11O11S3	885.3871	NA	PeJP	NA	NA
+PJ066145	GDDMHRR 	C33H55N15O12S	885.3876	NA	PeJP	NA	NA
+PJ066146	QKMMYW 	C41H59N9O9S2	885.3877	NA	PeJP	NA	NA
+PJ066147	GAKMMYW 	C41H59N9O9S2	885.3878	NA	PeJP	NA	NA
+PJ066148	SDHRWW 	C41H51N13O10	885.3882	NA	PeJP	NA	NA
+PJ066149	STQKEMY 	C37H59N9O14S	885.3902	NA	PeJP	NA	NA
+PJ066150	GGTTKEMY 	C37H59N9O14S	885.3903	NA	PeJP	NA	NA
+PJ066151	LEEFYW 	C45H55N7O12	885.3909	NA	PeJP	NA	NA
+PJ066152	AQKMMMF 	C38H63N9O9S3	885.3911	NA	PeJP	NA	NA
+PJ066153	QEMHRW 	C38H55N13O10S	885.3916	NA	PeJP	NA	NA
+PJ066154	ATHWWW 	C46H51N11O8	885.3922	NA	PeJP	NA	NA
+PJ066155	GGPHFWW 	C46H51N11O8	885.3923	NA	PeJP	NA	NA
+PJ066156	SSSTTTTTT 	C33H59N9O19	885.3927	NA	PeJP	NA	NA
+PJ066157	SSTTTKMM 	C34H63N9O14S2	885.3936	NA	PeJP	NA	NA
+PJ066158	STQEEHR 	C34H55N13O15	885.3941	NA	PeJP	NA	NA
+PJ066159	APLEMYY 	C42H59N7O12S	885.3943	NA	PeJP	NA	NA
+PJ066160	SKKMMMM 	C35H67N9O9S4	885.3945	NA	PeJP	NA	NA
+PJ066161	GTCMRRY 	C35H59N13O10S2	885.395	NA	PeJP	NA	NA
+PJ066162	GNEHHHR 	C35H51N17O11	885.3954	NA	PeJP	NA	NA
+PJ066163	GGGEHHHR 	C35H51N17O11	885.3955	NA	PeJP	NA	NA
+PJ066164	VQMHWW 	C43H55N11O8S	885.3956	NA	PeJP	NA	NA
+PJ066165	SLLEMMY 	C39H63N7O12S2	885.3976	NA	PeJP	NA	NA
+PJ066166	SSSTRYW 	C39H55N11O13	885.3981	NA	PeJP	NA	NA
+PJ066167	SCNNHRR 	C32H55N17O11S	885.3988	NA	PeJP	NA	NA
+PJ066168	CKMRYW 	C40H59N11O8S2	885.399	NA	PeJP	NA	NA
+PJ066169	AAQHHHW 	C40H51N15O9	885.3995	NA	PeJP	NA	NA
+PJ066170	SSDKMRY 	C36H59N11O13S	885.4015	NA	PeJP	NA	NA
+PJ066171	APPTEWW 	C44H55N9O11	885.4021	NA	PeJP	NA	NA
+PJ066172	GGPPPEFW 	C44H55N9O11	885.4022	NA	PeJP	NA	NA
+PJ066173	ACKMMFR 	C37H63N11O8S3	885.4024	NA	PeJP	NA	NA
+PJ066174	CEHRRW 	C37H55N15O9S	885.4028	NA	PeJP	NA	NA
+PJ066175	SSDEHRR 	C33H55N15O14	885.4053	NA	PeJP	NA	NA
+PJ066176	GGGGGGGSPQR 	C33H55N15O14	885.4054	NA	PeJP	NA	NA
+PJ066177	GTTKMYW 	C41H59N9O11S	885.4055	NA	PeJP	NA	NA
+PJ066178	SPCMHRR 	C34H59N15O9S2	885.4062	NA	PeJP	NA	NA
+PJ066179	AMHRWW 	C42H55N13O7S	885.4069	NA	PeJP	NA	NA
+PJ066180	GSTTTKEY 	C37H59N9O16	885.408	NA	PeJP	NA	NA
+PJ066181	GKKEMMY 	C38H63N9O11S2	885.4089	NA	PeJP	NA	NA
+PJ066182	GTTEHRW 	C38H55N13O12	885.4093	NA	PeJP	NA	NA
+PJ066183	GGGPQERW 	C38H55N13O12	885.4094	NA	PeJP	NA	NA
+PJ066184	PPCLFFY 	C46H59N7O9S	885.4095	NA	PeJP	NA	NA
+PJ066185	NHHHRW 	C39H51N17O8	885.4107	NA	PeJP	NA	NA
+PJ066186	GLLEEYY 	C42H59N7O14	885.412	NA	PeJP	NA	NA
+PJ066187	SSSMRRY 	C35H59N13O12S	885.4127	NA	PeJP	NA	NA
+PJ066188	PVVMMFY 	C43H63N7O9S2	885.4129	NA	PeJP	NA	NA
+PJ066189	TKEHWW 	C43H55N11O10	885.4134	NA	PeJP	NA	NA
+3479	adrenorphin	YGGFMRR	885.4154	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ066190	VVLMMMY 	C40H67N7O9S3	885.4163	NA	PeJP	NA	NA
+PJ066191	APPEMRW 	C40H59N11O10S	885.4167	NA	PeJP	NA	NA
+PJ066192	PPVCERW 	C40H59N11O10S	885.4168	NA	PeJP	NA	NA
+PJ066193	GKFYWW 	C48H55N9O8	885.4174	NA	PeJP	NA	NA
+PJ066194	SSSSSLRY 	C36H59N11O15	885.4192	NA	PeJP	NA	NA
+PJ066195	PVQEEER 	C36H59N11O15	885.4193	NA	PeJP	NA	NA
+PJ066196	GTKMMRY 	C37H63N11O10S2	885.4201	NA	PeJP	NA	NA
+PJ066197	GNQQHFR 	C37H55N15O11	885.4206	NA	PeJP	NA	NA
+PJ066198	GPPLMWW 	C45H59N9O8S	885.4208	NA	PeJP	NA	NA
+PJ066199	STTTKYW 	C41H59N9O13	885.4232	NA	PeJP	NA	NA
+PJ066200	PPTKEEW 	C41H59N9O13	885.4233	NA	PeJP	NA	NA
+PJ066201	SNNKMHR 	C34H59N15O11S	885.4239	NA	PeJP	NA	NA
+PJ066202	GTEMHRR 	C34H59N15O11S	885.424	NA	PeJP	NA	NA
+PJ066203	KKMMYW 	C42H63N9O8S2	885.4241	NA	PeJP	NA	NA
+PJ066204	TTHRWW 	C42H55N13O9	885.4246	NA	PeJP	NA	NA
+PJ066205	STKKEMY 	C38H63N9O13S	885.4266	NA	PeJP	NA	NA
+PJ066206	GPPVKEEM 	C38H63N9O13S	885.4267	NA	PeJP	NA	NA
+PJ066207	LLEYYW 	C46H59N7O11	885.4273	NA	PeJP	NA	NA
+PJ066208	AKKMMMF 	C39H67N9O8S3	885.4275	NA	PeJP	NA	NA
+PJ066209	KEMHRW 	C39H59N13O9S	885.428	NA	PeJP	NA	NA
+PJ066210	LHHFFW 	C47H55N11O7	885.4286	NA	PeJP	NA	NA
+PJ066211	APEEERR 	C35H59N13O14	885.4305	NA	PeJP	NA	NA
+PJ066212	SPLLMYY 	C43H63N7O11S	885.4306	NA	PeJP	NA	NA
+PJ066213	PVTLMYY 	C43H63N7O11S	885.4307	NA	PeJP	NA	NA
+PJ066214	ALQMMHR 	C36H63N13O9S2	885.4313	NA	PeJP	NA	NA
+PJ066215	SPKMMHR 	C36H63N13O9S2	885.4314	NA	PeJP	NA	NA
+PJ066216	GDKHHHR 	C36H55N17O10	885.4318	NA	PeJP	NA	NA
+PJ066217	VKMHWW 	C44H59N11O7S	885.432	NA	PeJP	NA	NA
+PJ066218	GPLEERW 	C40H59N11O12	885.4345	NA	PeJP	NA	NA
+PJ066219	GPPHHRW 	C41H55N15O8	885.4359	NA	PeJP	NA	NA
+PJ066220	STTKMRY 	C37H63N11O12S	885.4379	NA	PeJP	NA	NA
+PJ066221	GPVLEWW 	C45H59N9O10	885.4385	NA	PeJP	NA	NA
+PJ066222	TMHRRW 	C38H59N15O8S	885.4392	NA	PeJP	NA	NA
+PJ066223	STTEHRR 	C34H59N15O13	885.4417	NA	PeJP	NA	NA
+PJ066224	GGGGGGGGAALR 	C34H59N15O13	885.4418	NA	PeJP	NA	NA
+PJ066225	PPVKEMW 	C42H63N9O10S	885.4419	NA	PeJP	NA	NA
+PJ066226	GVMMHRR 	C35H63N15O8S2	885.4426	NA	PeJP	NA	NA
+PJ066227	GSHHHRR 	C35H55N19O9	885.4431	NA	PeJP	NA	NA
+PJ066228	SSSTTLKY 	C38H63N9O15	885.4444	NA	PeJP	NA	NA
+PJ066229	SVKKMMY 	C39H67N9O10S2	885.4453	NA	PeJP	NA	NA
+PJ066230	SSTLHRW 	C39H59N13O11	885.4457	NA	PeJP	NA	NA
+PJ066231	GGGPKERW 	C39H59N13O11	885.4458	NA	PeJP	NA	NA
+PJ066232	PVVMFFF 	C47H63N7O8S	885.4459	NA	PeJP	NA	NA
+PJ066233	SVLLEYY 	C43H63N7O13	885.4484	NA	PeJP	NA	NA
+PJ066234	PPTEMRR 	C36H63N13O11S	885.4491	NA	PeJP	NA	NA
+PJ066235	VVLMMFF 	C44H67N7O8S2	885.4493	NA	PeJP	NA	NA
+PJ066236	PLERWW 	C44H59N11O9	885.4498	NA	PeJP	NA	NA
+PJ066237	GNQQQRR 	C33H59N17O12	885.4529	NA	PeJP	NA	NA
+PJ066238	GGGQQQRR 	C33H59N17O12	885.453	NA	PeJP	NA	NA
+PJ066239	SPPLMRW 	C41H63N11O9S	885.4531	NA	PeJP	NA	NA
+PJ066240	PVLWWW 	C49H59N9O7	885.4538	NA	PeJP	NA	NA
+PJ066241	PVKEEER 	C37H63N11O14	885.4556	NA	PeJP	NA	NA
+PJ066242	GGGPVDKKE 	C37H63N11O14	885.4557	NA	PeJP	NA	NA
+PJ066243	AAPPLMMR 	C38H67N11O9S2	885.4565	NA	PeJP	NA	NA
+PJ066244	GSPQRRW 	C38H59N15O10	885.457	NA	PeJP	NA	NA
+PJ066245	KKMFFW 	C46H63N9O7S	885.4572	NA	PeJP	NA	NA
+PJ066246	PTLLQEW 	C42H63N9O12	885.4596	NA	PeJP	NA	NA
+PJ066247	PVVKEEW 	C42H63N9O12	885.4597	NA	PeJP	NA	NA
+PJ066248	SSLMHRR 	C35H63N15O10S	885.4603	NA	PeJP	NA	NA
+PJ066249	GAAPQMRR 	C35H63N15O10S	885.4604	NA	PeJP	NA	NA
+PJ066250	PNKRWW 	C43H59N13O8	885.461	NA	PeJP	NA	NA
+PJ066251	APPTLKEM 	C39H67N9O12S	885.463	NA	PeJP	NA	NA
+PJ066252	APLLFYY 	C47H63N7O10	885.4637	NA	PeJP	NA	NA
+PJ066253	GNNNRRR 	C32H59N19O11	885.4642	NA	PeJP	NA	NA
+PJ066254	GCKKKHW 	C40H63N13O8S	885.4644	NA	PeJP	NA	NA
+PJ066255	SPLEERR 	C36H63N13O13	885.4669	NA	PeJP	NA	NA
+PJ066256	ALLLMYY 	C44H67N7O10S	885.467	NA	PeJP	NA	NA
+PJ066257	PPVMMRR 	C37H67N13O8S2	885.4677	NA	PeJP	NA	NA
+PJ066258	DHFRRR 	C37H59N17O9	885.4682	NA	PeJP	NA	NA
+PJ066259	SPVLERW 	C41H63N11O11	885.4709	NA	PeJP	NA	NA
+PJ066260	GPNMRRR 	C34H63N17O9S	885.4716	NA	PeJP	NA	NA
+MJ096919	Maridomycin III; 9-Propanoyl 	C44H71NO17	885.472199	NA	MeJP	NA	NA
+PJ066261	PLLQEMR 	C38H67N11O11S	885.4743	NA	PeJP	NA	NA
+PJ066262	APTLLWW 	C46H63N9O9	885.4749	NA	PeJP	NA	NA
+PJ066263	SPNKERR 	C35H63N15O12	885.4781	NA	PeJP	NA	NA
+PJ066264	PVLLQMW 	C43H67N9O9S	885.4783	NA	PeJP	NA	NA
+PJ066265	GPTLLKEE 	C39H67N9O14	885.4808	NA	PeJP	NA	NA
+PJ066266	GPPLLKMM 	C40H71N9O9S2	885.4817	NA	PeJP	NA	NA
+PJ066267	GPDKKRW 	C40H63N13O10	885.4821	NA	PeJP	NA	NA
+PJ066268	TTLLLYY 	C44H67N7O12	885.4848	NA	PeJP	NA	NA
+PJ066269	PVVEMRR 	C37H67N13O10S	885.4855	NA	PeJP	NA	NA
+PJ066270	AAPKKWW 	C45H63N11O8	885.4861	NA	PeJP	NA	NA
+PJ066271	GVLKHFW 	C45H63N11O8	885.4862	NA	PeJP	NA	NA
+MJ096920	Virustomycin A 	C48H71NO14	885.487455	NA	MeJP	NA	NA
+PJ066272	AAQERRR 	C34H63N17O11	885.4893	NA	PeJP	NA	NA
+PJ066273	GGGVERRR 	C34H63N17O11	885.4894	NA	PeJP	NA	NA
+PJ066274	APLLMRW 	C42H67N11O8S	885.4895	NA	PeJP	NA	NA
+PJ066275	VLLQEER 	C38H67N11O13	885.492	NA	PeJP	NA	NA
+PJ066276	VLKKMMH 	C39H71N11O8S2	885.4929	NA	PeJP	NA	NA
+PJ066277	GSPKRRW 	C39H63N15O9	885.4934	NA	PeJP	NA	NA
+PJ066278	PTLLKEW 	C43H67N9O11	885.496	NA	PeJP	NA	NA
+PJ066279	GGVLLLEW 	C43H67N9O11	885.4961	NA	PeJP	NA	NA
+PJ066280	APQKMRR 	C36H67N15O9S	885.4967	NA	PeJP	NA	NA
+PJ066281	LKHFRW 	C44H63N13O7	885.4974	NA	PeJP	NA	NA
+PJ066282	GPVLLKEM 	C40H71N9O11S	885.4994	NA	PeJP	NA	NA
+PJ066283	ALLLFFY 	C48H67N7O9	885.5001	NA	PeJP	NA	NA
+PJ066284	NERRRR 	C33H63N19O10	885.5006	NA	PeJP	NA	NA
+PJ066285	PTQKKER 	C37H67N13O12	885.5032	NA	PeJP	NA	NA
+PJ066286	ALLEERR 	C37H67N13O12	885.5033	NA	PeJP	NA	NA
+PJ066287	VNRRRW 	C38H63N17O8	885.5046	NA	PeJP	NA	NA
+PJ066288	GLLLERW 	C42H67N11O10	885.5073	NA	PeJP	NA	NA
+PJ066289	APCKRRR 	C35H67N17O8S	885.508	NA	PeJP	NA	NA
+MJ096921	Antibiotic CP 56064 	C45H75NO16	885.508585	NA	MeJP	NA	NA
+MJ096922	Spirosolan-3-ol, Glycoside(4) 	C45H75NO16	885.508585	NA	MeJP	NA	NA
+MJ096923	Tylosin; 2C-Demethoxy 	C45H75NO16	885.508585	NA	MeJP	NA	NA
+MetaCyc04241	demethylmacrocin []	C45H75N1O16	885.508585	NA	metacyc	NA	NA
+PJ066290	PLLKEMR 	C39H71N11O10S	885.5107	NA	PeJP	NA	NA
+PJ066291	GVLLLWW 	C47H67N9O8	885.5113	NA	PeJP	NA	NA
+PJ066292	GLQKERR 	C36H67N15O11	885.5145	NA	PeJP	NA	NA
+PJ066293	PVLLKMW 	C44H71N9O8S	885.5147	NA	PeJP	NA	NA
+PJ066294	GRRRRW 	C37H63N19O7	885.5158	NA	PeJP	NA	NA
+PJ066295	AALLLKEE 	C40H71N9O13	885.5172	NA	PeJP	NA	NA
+PJ066296	APTKKRW 	C41H67N13O9	885.5185	NA	PeJP	NA	NA
+MJ096924	Verlamelin 	C45H71N7O11	885.521156	NA	MeJP	NA	NA
+PJ066297	PTLLMRR 	C38H71N13O9S	885.5219	NA	PeJP	NA	NA
+PJ066298	LLLRWW 	C46H67N11O7	885.5225	NA	PeJP	NA	NA
+MJ096925	Rapamycin; 7,32-O-Di-de-Me 	C49H75NO13	885.523841	NA	MeJP	NA	NA
+PJ066299	AAKERRR 	C35H67N17O10	885.5257	NA	PeJP	NA	NA
+PJ066300	VLLKEER 	C39H71N11O12	885.5284	NA	PeJP	NA	NA
+PJ066301	LQKRRW 	C40H67N15O8	885.5297	NA	PeJP	NA	NA
+PJ066302	GALKRRW 	C40H67N15O8	885.5298	NA	PeJP	NA	NA
+PJ066303	VVLLKEW 	C44H71N9O10	885.5324	NA	PeJP	NA	NA
+PJ066304	APKKMRR 	C37H71N15O8S	885.5331	NA	PeJP	NA	NA
+PJ066305	APTLLLKM 	C41H75N9O10S	885.5358	NA	PeJP	NA	NA
+PJ066306	DKRRRR 	C34H67N19O9	885.537	NA	PeJP	NA	NA
+PJ066307	SLLLERR 	C38H71N13O11	885.5396	NA	PeJP	NA	NA
+PJ066308	GGVLKKER 	C38H71N13O11	885.5397	NA	PeJP	NA	NA
+PJ066309	SVLLLRW 	C43H71N11O9	885.5437	NA	PeJP	NA	NA
+PJ066310	LLLLQMR 	C40H75N11O9S	885.547	NA	PeJP	NA	NA
+PJ066311	SRRRRR 	C33H67N21O8	885.5482	NA	PeJP	NA	NA
+PJ066312	GLKKERR 	C37H71N15O10	885.5509	NA	PeJP	NA	NA
+PJ066313	VTTILLLN 	C41H75N9O12	885.5535	NA	PeJP	NA	NA
+PJ066314	GTLLLLKE 	C41H75N9O12	885.5536	NA	PeJP	NA	NA
+PJ066315	GVLKKRW 	C42H71N13O8	885.5549	NA	PeJP	NA	NA
+PJ066316	VVLLMRR 	C39H75N13O8S	885.5583	NA	PeJP	NA	NA
+PJ066317	GTLKRRR 	C36H71N17O9	885.5621	NA	PeJP	NA	NA
+PJ066318	GTTLLLLR 	C40H75N11O11	885.5648	NA	PeJP	NA	NA
+PJ066319	LKKRRW 	C41H71N15O7	885.5661	NA	PeJP	NA	NA
+PJ066320	TLLLLKW 	C45H75N9O9	885.5688	NA	PeJP	NA	NA
+PJ066321	GVLLLLKM 	C42H79N9O9S	885.5722	NA	PeJP	NA	NA
+PJ066322	VVKKKER 	C39H75N13O10	885.576	NA	PeJP	NA	NA
+PJ066323	VVVKKKW 	C44H75N11O8	885.58	NA	PeJP	NA	NA
+PJ066324	ALLKKKW 	C44H75N11O8	885.5801	NA	PeJP	NA	NA
+PJ066325	LLLLKMR 	C41H79N11O8S	885.5834	NA	PeJP	NA	NA
+PJ066326	SVLKKRR 	C38H75N15O9	885.5873	NA	PeJP	NA	NA
+PJ066327	SSLLLLLK 	C42H79N9O11	885.5899	NA	PeJP	NA	NA
+PJ066328	LLKKKKE 	C41H79N11O10	885.6012	NA	PeJP	NA	NA
+PJ066329	TLLKKKR 	C40H79N13O9	885.6124	NA	PeJP	NA	NA
+PJ066330	AKKKKKR 	C39H79N15O8	885.6236	NA	PeJP	NA	NA
+HMDB08616	PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H88NO8P	885.624756	NA	HMDB2010	NA	NA
+HMDB08646	PC(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	C52H88NO8P	885.624756	NA	HMDB2010	NA	NA
+HMDB08744	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	C52H88NO8P	885.624756	NA	HMDB2010	NA	NA
+PJ066331	VKKKKKK 	C41H83N13O8	885.6488	NA	PeJP	NA	NA
+HMDB09509	PE(22:0/24:1(15Z))	C51H100NO8P	885.718628	NA	HMDB2010	NA	NA
+HMDB09541	PE(22:1(13Z)/24:0)	C51H100NO8P	885.718628	NA	HMDB2010	NA	NA
+HMDB09733	PE(24:0/22:1(13Z))	C51H100NO8P	885.718628	NA	HMDB2010	NA	NA
+HMDB09765	PE(24:1(15Z)/22:0)	C51H100NO8P	885.718628	NA	HMDB2010	NA	NA
+PJ066332	CCCCCCCF 	C30H46N8O9S7	886.1433	NA	PeJP	NA	NA
+C02247	Anthranilyl-CoA	C28H41N8O17P3S	886.1523	NA	KEGG	NA	NA
+C02248	Apocytochrome c	C28H41N8O17P3S	886.1523	NA	KEGG	NA	NA
+MetaCyc04242	2-aminobenzoyl-CoA [anthranilyl-CoA;anthranilate-CoA;]	C28H41N8O17P3S1	886.152322	NA	metacyc	NA	NA
+PJ066333	SCCCCCCY 	C30H46N8O11S6	886.1611	NA	PeJP	NA	NA
+PJ066334	SCCCCCEH 	C29H46N10O12S5	886.1901	NA	PeJP	NA	NA
+PJ066335	SCCDDDDD 	C29H42N8O20S2	886.1957	NA	PeJP	NA	NA
+PJ066336	PCCCCDDE 	C30H46N8O15S4	886.1966	NA	PeJP	NA	NA
+PJ066337	GCCCCMMH 	C30H50N10O9S6	886.2087	NA	PeJP	NA	NA
+PJ066338	GCCDDDEM 	C30H46N8O17S3	886.2144	NA	PeJP	NA	NA
+MJ096926	Malonichrome 	C31H44FeN9O18	886.215372	NA	MeJP	NA	NA
+MJ096927	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3',5'-Di-Me ether, 3-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C41H43O22(+)	886.216773	NA	MeJP	NA	NA
+PJ066339	CCCCNNNN 	C28H46N12O13S4	886.219	NA	PeJP	NA	NA
+PJ066340	GGCCCCNNN 	C28H46N12O13S4	886.2191	NA	PeJP	NA	NA
+PJ066341	GCCCCDHF 	C33H46N10O11S4	886.2231	NA	PeJP	NA	NA
+PJ066342	SCCCNNDE 	C29H46N10O16S3	886.2256	NA	PeJP	NA	NA
+PJ066343	STCCCCMH 	C30H50N10O11S5	886.2264	NA	PeJP	NA	NA
+PJ066344	GGPCCCCNM 	C30H50N10O11S5	886.2265	NA	PeJP	NA	NA
+PJ066345	CCDDDMW 	C34H46N8O14S3	886.2296	NA	PeJP	NA	NA
+PJ066346	SSCDDDDM 	C30H46N8O19S2	886.2321	NA	PeJP	NA	NA
+PJ066347	SPCCCDEM 	C31H50N8O14S4	886.233	NA	PeJP	NA	NA
+PJ066348	PPCCCCMM 	C32H54N8O9S6	886.2338	NA	PeJP	NA	NA
+PJ066349	GSCCCNDW 	C33H46N10O13S3	886.2408	NA	PeJP	NA	NA
+PJ066350	GSSSCCNDD 	C29H46N10O18S2	886.2433	NA	PeJP	NA	NA
+PJ066351	GCCNNDMM 	C30H50N10O13S4	886.2442	NA	PeJP	NA	NA
+PJ066352	GPCCDDDY 	C34H46N8O16S2	886.2474	NA	PeJP	NA	NA
+PJ066353	PPCCCCDF 	C35H50N8O11S4	886.2482	NA	PeJP	NA	NA
+PJ066354	GSCDDEMM 	C31H50N8O16S3	886.2507	NA	PeJP	NA	NA
+PJ066355	GPCCDMMM 	C32H54N8O11S5	886.2516	NA	PeJP	NA	NA
+FL5FAAGA0045	Kaempferol 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside	C42H46O21	886.25315	151676-93-6	knapsack	NA	NA
+FL5FAAGL0092	Kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside	C42H46O21	886.25315	-	knapsack	NA	NA
+MJ096928	Astragalin; 6''-O-[?-L-Rhamnopyranosyl-(1?3)-[4-hydroxy-E-cinnamoyl-(?4)]-?-L-rhamnopyranosyl] 	C42H46O21	886.253158	NA	MeJP	NA	NA
+MJ096929	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], (E)-4-hydroxycinnamoyl 	C42H46O21	886.253158	NA	MeJP	NA	NA
+MJ096930	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], (Z)-4-hydroxycinnamoyl 	C42H46O21	886.253158	NA	MeJP	NA	NA
+MJ096931	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(?4)]-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C42H47O21(+)	886.253158	NA	MeJP	NA	NA
+MJ096932	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxycinnamoyl-(??)]-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C42H47O21(+)	886.253158	NA	MeJP	NA	NA
+PJ066356	GCCCCNER 	C29H50N12O12S4	886.2554	NA	PeJP	NA	NA
+PJ066357	GGGCCCCER 	C29H50N12O12S4	886.2555	NA	PeJP	NA	NA
+PJ066358	GCCNNDDF 	C33H46N10O15S2	886.2586	NA	PeJP	NA	NA
+PJ066359	CCCNQMW 	C34H50N10O10S4	886.2594	NA	PeJP	NA	NA
+PJ066360	GGCCCQMW 	C34H50N10O10S4	886.2595	NA	PeJP	NA	NA
+PJ066361	SSCCNNEM 	C30H50N10O15S3	886.262	NA	PeJP	NA	NA
+PJ066362	PCCCCCQK 	C31H54N10O10S5	886.2628	NA	PeJP	NA	NA
+PJ066363	GCCCNNHH 	C31H46N14O11S3	886.2633	NA	PeJP	NA	NA
+MJ096933	Pradimicin L; 17-Hydroxy 	C41H46N2O20	886.264391	NA	MeJP	NA	NA
+PJ066364	NDDDDMY 	C34H46N8O18S	886.2651	NA	PeJP	NA	NA
+PJ066365	SCDDMMW 	C35H50N8O13S3	886.266	NA	PeJP	NA	NA
+PJ066366	SSSDDDMM 	C31H50N8O18S2	886.2685	NA	PeJP	NA	NA
+PJ066367	NDDMMMM 	C32H54N8O13S4	886.2694	NA	PeJP	NA	NA
+PJ066368	GSCCDEHH 	C32H46N12O14S2	886.2698	NA	PeJP	NA	NA
+PJ066369	CCCCNRW 	C33H50N12O9S4	886.2707	NA	PeJP	NA	NA
+PJ066370	SSCCCNDR 	C29H50N12O14S3	886.2732	NA	PeJP	NA	NA
+FL5FAAGA0025	Kaempferol 3-isorhamninoside-7-rhamnoside	C39H50O23	886.27428	123479-26-5	knapsack	NA	NA
+FL5FAAGS0100	Astrasikokioside I;Desacyl gladiatoside B;Kaempferol 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-galactoside]-7-rhamnoside	C39H50O23	886.27428	266996-10-5	knapsack	NA	NA
+MJ096934	Sucrose; 3'-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 6-O-(4-hydroxy-3-methoxycinnamoyl), 3-O-?-D-glucopyranoside 	C39H50O23	886.274287	NA	MeJP	NA	NA
+MJ096935	?-Rhamnoisorobin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] 	C39H50O23	886.274287	NA	MeJP	NA	NA
+PJ066371	GSCNNDDY 	C33H46N10O17S	886.2763	NA	PeJP	NA	NA
+PJ066372	GGGSCNDDY 	C33H46N10O17S	886.2764	NA	PeJP	NA	NA
+PJ066373	GSSCCNMW 	C34H50N10O12S3	886.2772	NA	PeJP	NA	NA
+PJ066374	GSSSSCNDM 	C30H50N10O17S2	886.2797	NA	PeJP	NA	NA
+PJ066375	GCDDEYW 	C38H46N8O15S	886.2804	NA	PeJP	NA	NA
+PJ066376	CCDEMMR 	C31H54N10O12S4	886.2806	NA	PeJP	NA	NA
+PJ066377	PCCCEFW 	C39H50N8O10S3	886.2812	NA	PeJP	NA	NA
+PJ066378	GSSDDDEY 	C34H46N8O20	886.2829	NA	PeJP	NA	NA
+MJ096936	Dermocanarin 7 	C50H46O15	886.28367	NA	MeJP	NA	NA
+PJ066379	GSPCDDMY 	C35H50N8O15S2	886.2837	NA	PeJP	NA	NA
+PJ066380	GGDDDMMF 	C35H50N8O15S2	886.2838	NA	PeJP	NA	NA
+PJ066381	GCEMMMW 	C36H54N8O10S4	886.2846	NA	PeJP	NA	NA
+PJ066382	SCCDHHW 	C36H46N12O11S2	886.2851	NA	PeJP	NA	NA
+PJ066383	GSSDEMMM 	C32H54N8O15S3	886.2871	NA	PeJP	NA	NA
+PJ066384	SSSCDDHH 	C32H46N12O16S	886.2876	NA	PeJP	NA	NA
+PJ066385	GSPCMMMM 	C33H58N8O10S5	886.288	NA	PeJP	NA	NA
+PJ066386	CNDMMHH 	C33H50N12O11S3	886.2884	NA	PeJP	NA	NA
+PJ066387	GGCDMMHH 	C33H50N12O11S3	886.2885	NA	PeJP	NA	NA
+PJ066388	PCDDDHW 	C37H46N10O14S	886.2916	NA	PeJP	NA	NA
+PJ066389	GSCCCQMR 	C30H54N12O11S4	886.2918	NA	PeJP	NA	NA
+PJ066390	CCCQHFF 	C38H50N10O9S3	886.2925	NA	PeJP	NA	NA
+PJ066391	NDDEEEH 	C33H46N10O19	886.2941	NA	PeJP	NA	NA
+PJ066392	SSSSCCQW 	C34H50N10O14S2	886.295	NA	PeJP	NA	NA
+PJ066393	CDDYWW 	C42H46N8O12S	886.2956	NA	PeJP	NA	NA
+MJ096937	Cytochrome c 	C42H54FeN8O6S2	886.295715	NA	MeJP	NA	NA
+PJ066394	CCCNKMW 	C35H54N10O9S4	886.2958	NA	PeJP	NA	NA
+PJ066395	GGCCCKMW 	C35H54N10O9S4	886.2959	NA	PeJP	NA	NA
+PJ066396	SSSSSSCNE 	C30H50N10O19S	886.2975	NA	PeJP	NA	NA
+PJ066397	SSDDDYW 	C38H46N8O17	886.2981	NA	PeJP	NA	NA
+PJ066398	SSSCNQMM 	C31H54N10O14S3	886.2983	NA	PeJP	NA	NA
+PJ066399	GGGGSSTCMM 	C31H54N10O14S3	886.2984	NA	PeJP	NA	NA
+PJ066400	GCNNNNDH 	C31H46N14O15S	886.2988	NA	PeJP	NA	NA
+PJ066401	GGGGGGGGGCDH 	C31H46N14O15S	886.2989	NA	PeJP	NA	NA
+PJ066402	SPCCEYW 	C39H50N8O12S2	886.299	NA	PeJP	NA	NA
+PJ066403	PCCCCCKK 	C32H58N10O9S5	886.2992	NA	PeJP	NA	NA
+PJ066404	CCCEHHR 	C32H50N14O10S3	886.2997	NA	PeJP	NA	NA
+PJ066405	CMMMWW 	C40H54N8O7S4	886.2999	NA	PeJP	NA	NA
+PJ066406	SNDEEMY 	C35H50N8O17S	886.3015	NA	PeJP	NA	NA
+PJ066407	SSDMMMW 	C36H54N8O12S3	886.3024	NA	PeJP	NA	NA
+PJ066408	CNDDHHF 	C36H46N12O13S	886.3028	NA	PeJP	NA	NA
+PJ066409	GGCDDHHF 	C36H46N12O13S	886.3029	NA	PeJP	NA	NA
+PJ066410	GSCCCCRR 	C29H54N14O10S4	886.3031	NA	PeJP	NA	NA
+PJ066411	ACCMHHW 	C37H50N12O8S3	886.3037	NA	PeJP	NA	NA
+PJ066412	SSSSEEMM 	C32H54N8O17S2	886.3049	NA	PeJP	NA	NA
+PJ066413	DDDDDHR 	C32H46N12O18	886.3053	NA	PeJP	NA	NA
+PJ066414	GGGGGSDDEH 	C32H46N12O18	886.3054	NA	PeJP	NA	NA
+PJ066415	SQEMMMM 	C33H58N8O12S4	886.3057	NA	PeJP	NA	NA
+PJ066416	CCNNDRY 	C33H50N12O13S2	886.3062	NA	PeJP	NA	NA
+PJ066417	CCNHHHH 	C34H46N16O9S2	886.3075	NA	PeJP	NA	NA
+PJ066418	GGCCHHHH 	C34H46N16O9S2	886.3076	NA	PeJP	NA	NA
+PJ066419	GDDEEHW 	C37H46N10O16	886.3094	NA	PeJP	NA	NA
+PJ066420	SSSCCNMR 	C30H54N12O13S3	886.3096	NA	PeJP	NA	NA
+PJ066421	GCNNMYW 	C38H50N10O11S2	886.3102	NA	PeJP	NA	NA
+PJ066422	GSSSSSSCW 	C34H50N10O16S	886.3127	NA	PeJP	NA	NA
+PJ066423	GSTCCCKW 	C35H54N10O11S3	886.3136	NA	PeJP	NA	NA
+PJ066424	CDMFWW 	C43H50N8O9S2	886.3143	NA	PeJP	NA	NA
+PJ066425	GSSSSSSSSD 	C30H50N10O21	886.3152	NA	PeJP	NA	NA
+PJ066426	GSSSSSNMM 	C31H54N10O16S2	886.3161	NA	PeJP	NA	NA
+PJ066427	GSDEMYW 	C39H50N8O14S	886.3168	NA	PeJP	NA	NA
+PJ066428	SCEMMMR 	C32H58N10O11S4	886.317	NA	PeJP	NA	NA
+PJ066429	GPCMMYW 	C40H54N8O9S3	886.3176	NA	PeJP	NA	NA
+PJ066430	GSTTDDEY 	C35H50N8O19	886.3192	NA	PeJP	NA	NA
+PJ066431	GSSSEEEY 	C35H50N8O19	886.3193	NA	PeJP	NA	NA
+PJ066432	GQEEMMY 	C36H54N8O14S2	886.3201	NA	PeJP	NA	NA
+PJ066433	SNNDDHW 	C36H46N12O15	886.3206	NA	PeJP	NA	NA
+PJ066434	CEFYYY 	C44H50N6O12S	886.3208	NA	PeJP	NA	NA
+PJ066435	GTMMMMW 	C37H58N8O9S4	886.321	NA	PeJP	NA	NA
+PJ066436	SSCMHHW 	C37H50N12O10S2	886.3215	NA	PeJP	NA	NA
+PJ066437	GSTTEMMM 	C33H58N8O14S3	886.3235	NA	PeJP	NA	NA
+PJ066438	SSSSDMHH 	C33H50N12O15S	886.324	NA	PeJP	NA	NA
+PJ066439	VNMMMMM 	C34H62N8O9S5	886.3244	NA	PeJP	NA	NA
+PJ066440	DDEHWW 	C41H46N10O13	886.3246	NA	PeJP	NA	NA
+PJ066441	CCNNMFR 	C34H54N12O10S3	886.3248	NA	PeJP	NA	NA
+PJ066442	GGGGCCMFR 	C34H54N12O10S3	886.3249	NA	PeJP	NA	NA
+MJ096938	Bussein D 	C44H54O19	886.325929	NA	MeJP	NA	NA
+PJ066443	GSSSSTCCR 	C30H54N12O15S2	886.3273	NA	PeJP	NA	NA
+PJ066444	SSCNQYW 	C38H50N10O13S	886.328	NA	PeJP	NA	NA
+PJ066445	GSCCCKMR 	C31H58N12O10S4	886.3282	NA	PeJP	NA	NA
+PJ066446	CCCKHFF 	C39H54N10O8S3	886.3289	NA	PeJP	NA	NA
+PJ066447	SSSSNNEY 	C34H50N10O18	886.3305	NA	PeJP	NA	NA
+PJ066448	SNNQMMY 	C35H54N10O13S2	886.3313	NA	PeJP	NA	NA
+PJ066449	SSSSCCKW 	C35H54N10O13S2	886.3314	NA	PeJP	NA	NA
+PJ066450	SDMYWW 	C43H50N8O11S	886.332	NA	PeJP	NA	NA
+PJ066451	PCCMMFR 	C36H58N10O8S4	886.3322	NA	PeJP	NA	NA
+PJ066452	GPPCCHHH 	C36H50N14O9S2	886.3327	NA	PeJP	NA	NA
+PJ066453	SSSSSSSQM 	C31H54N10O18S	886.3338	NA	PeJP	NA	NA
+PJ066454	GGSSSSSSTM 	C31H54N10O18S	886.3339	NA	PeJP	NA	NA
+PJ066455	SSSEEYW 	C39H50N8O16	886.3345	NA	PeJP	NA	NA
+PJ066456	SSSCNKMM 	C32H58N10O13S3	886.3347	NA	PeJP	NA	NA
+PJ066457	CNNDEHR 	C32H50N14O14S	886.3352	NA	PeJP	NA	NA
+PJ066458	QEMMYW 	C40H54N8O11S2	886.3354	NA	PeJP	NA	NA
+PJ066459	GMMMMMR 	C33H62N10O8S5	886.3356	NA	PeJP	NA	NA
+PJ066460	TCCMHHR 	C33H54N14O9S3	886.3361	NA	PeJP	NA	NA
+PJ066461	STQEEMY 	C36H54N8O16S	886.3379	NA	PeJP	NA	NA
+PJ066462	SEYYYY 	C44H50N6O14	886.3385	NA	PeJP	NA	NA
+PJ066463	STTMMMW 	C37H58N8O11S3	886.3387	NA	PeJP	NA	NA
+PJ066464	GGPTMMMY 	C37H58N8O11S3	886.3388	NA	PeJP	NA	NA
+PJ066465	GNNEMHW 	C37H50N12O12S	886.3392	NA	PeJP	NA	NA
+PJ066466	SSTTTEMM 	C33H58N8O16S2	886.3412	NA	PeJP	NA	NA
+PJ066467	SDDEEHR 	C33H50N12O17	886.3417	NA	PeJP	NA	NA
+PJ066468	GGGGGGGPNEE 	C33H50N12O17	886.3418	NA	PeJP	NA	NA
+PJ066469	SKEMMMM 	C34H62N8O11S4	886.3421	NA	PeJP	NA	NA
+PJ066470	SCNNMRY 	C34H54N12O12S2	886.3426	NA	PeJP	NA	NA
+PJ066471	NNNDHHH 	C34H46N16O13	886.3431	NA	PeJP	NA	NA
+PJ066472	GCNNFFW 	C42H50N10O10S	886.3432	NA	PeJP	NA	NA
+PJ066473	GGGCNFFW 	C42H50N10O10S	886.3433	NA	PeJP	NA	NA
+PJ066474	SSSSSSSCR 	C30H54N12O17S	886.3451	NA	PeJP	NA	NA
+PJ066475	GSSSSNYW 	C38H50N10O15	886.3457	NA	PeJP	NA	NA
+PJ066476	GTEEEHW 	C38H50N10O15	886.3458	NA	PeJP	NA	NA
+PJ066477	SSTCCCKR 	C31H58N12O12S3	886.346	NA	PeJP	NA	NA
+PJ066478	CEMRYW 	C39H54N10O10S2	886.3466	NA	PeJP	NA	NA
+PJ066479	SSDEMRY 	C35H54N10O15S	886.3491	NA	PeJP	NA	NA
+PJ066480	GSPDYYW 	C43H50N8O13	886.3498	NA	PeJP	NA	NA
+PJ066481	SPCMMRY 	C36H58N10O10S3	886.35	NA	PeJP	NA	NA
+PJ066482	GCNDHRW 	C36H50N14O11S	886.3505	NA	PeJP	NA	NA
+PJ066483	AMMYWW 	C44H54N8O8S2	886.3506	NA	PeJP	NA	NA
+PJ066484	GSSSSSSSTT 	C31H54N10O20	886.3516	NA	PeJP	NA	NA
+PJ066485	GSSSSTCKM 	C32H58N10O15S2	886.3525	NA	PeJP	NA	NA
+PJ066486	SSSNNNQH 	C32H50N14O16	886.3529	NA	PeJP	NA	NA
+PJ066487	GSSNDDHR 	C32H50N14O16	886.353	NA	PeJP	NA	NA
+PJ066488	GTTEMYW 	C40H54N8O13S	886.3531	NA	PeJP	NA	NA
+PJ066489	GGAEEMFF 	C40H54N8O13S	886.3532	NA	PeJP	NA	NA
+PJ066490	STMMMMR 	C33H62N10O10S4	886.3533	NA	PeJP	NA	NA
+PJ066491	GSCCKKMM 	C33H62N10O10S4	886.3534	NA	PeJP	NA	NA
+PJ066492	GSPCCQHR 	C33H54N14O11S2	886.3538	NA	PeJP	NA	NA
+PJ066493	AAMMMFW 	C41H58N8O8S3	886.354	NA	PeJP	NA	NA
+PJ066494	NNMHWW 	C41H50N12O9S	886.3545	NA	PeJP	NA	NA
+PJ066495	GSTTTEEY 	C36H54N8O18	886.3556	NA	PeJP	NA	NA
+PJ066496	GPPTEEEE 	C36H54N8O18	886.3557	NA	PeJP	NA	NA
+PJ066497	GKEEMMY 	C37H58N8O13S2	886.3565	NA	PeJP	NA	NA
+PJ066498	SSNQEHW 	C37H50N12O14	886.357	NA	PeJP	NA	NA
+PJ066499	CLYYYY 	C45H54N6O11S	886.3571	NA	PeJP	NA	NA
+PJ066500	PCKMMMF 	C38H62N8O8S4	886.3574	NA	PeJP	NA	NA
+PJ066501	PCCNKHW 	C38H54N12O9S2	886.3578	NA	PeJP	NA	NA
+PJ066502	GGPCCKHW 	C38H54N12O9S2	886.3579	NA	PeJP	NA	NA
+PJ066503	SSSTLMMM 	C34H62N8O13S3	886.3599	NA	PeJP	NA	NA
+PJ066504	GSSSCQRY 	C34H54N12O14S	886.3603	NA	PeJP	NA	NA
+PJ066505	GGGSSTCRY 	C34H54N12O14S	886.3604	NA	PeJP	NA	NA
+PJ066506	CLKMMMM 	C35H66N8O8S5	886.3608	NA	PeJP	NA	NA
+PJ066507	TEEHWW 	C42H50N10O12	886.361	NA	PeJP	NA	NA
+PJ066508	CCCQKFR 	C35H58N12O9S3	886.3612	NA	PeJP	NA	NA
+PJ066509	PMMHWW 	C43H54N10O7S2	886.3619	NA	PeJP	NA	NA
+MJ096939	Chukrasins; Chukrasin C 	C45H58O18	886.362315	NA	MeJP	NA	NA
+MJ096940	Amanitin; Amanullin 	C39H54N10O12S	886.364337	NA	MeJP	NA	NA
+PJ066510	SSCNKYW 	C39H54N10O12S	886.3644	NA	PeJP	NA	NA
+PJ066511	GEFYWW 	C47H50N8O10	886.365	NA	PeJP	NA	NA
+PJ066512	APCHHHW 	C40H50N14O8S	886.3657	NA	PeJP	NA	NA
+PJ066513	SSSSNDKY 	C35H54N10O17	886.3669	NA	PeJP	NA	NA
+PJ066514	GTEMMRY 	C36H58N10O12S2	886.3677	NA	PeJP	NA	NA
+PJ066515	GGGGSKMMY 	C36H58N10O12S2	886.3678	NA	PeJP	NA	NA
+PJ066516	NNNNQHF 	C36H50N14O13	886.3682	NA	PeJP	NA	NA
+PJ066517	GGGGGGGGGAHF 	C36H50N14O13	886.3683	NA	PeJP	NA	NA
+PJ066518	TTMYWW 	C44H54N8O10S	886.3684	NA	PeJP	NA	NA
+PJ066519	GCMHHFR 	C37H54N14O8S2	886.3691	NA	PeJP	NA	NA
+PJ066520	SSSSSSSKM 	C32H58N10O17S	886.3702	NA	PeJP	NA	NA
+PJ066521	STTTEYW 	C40H54N8O15	886.3709	NA	PeJP	NA	NA
+PJ066522	SSTCCKKM 	C33H62N10O12S3	886.3711	NA	PeJP	NA	NA
+PJ066523	SNNEMHR 	C33H54N14O13S	886.3716	NA	PeJP	NA	NA
+PJ066524	KEMMYW 	C41H58N8O10S2	886.3718	NA	PeJP	NA	NA
+PJ066525	GSSQHWW 	C41H50N12O11	886.3722	NA	PeJP	NA	NA
+PJ066526	GGGGGPNWW 	C41H50N12O11	886.3723	NA	PeJP	NA	NA
+PJ066527	STKEEMY 	C37H58N8O15S	886.3743	NA	PeJP	NA	NA
+PJ066528	SPKMMMY 	C38H62N8O10S3	886.3751	NA	PeJP	NA	NA
+PJ066529	EEMHRW 	C38H54N12O11S	886.3756	NA	PeJP	NA	NA
+PJ066530	PDHFWW 	C46H50N10O9	886.3763	NA	PeJP	NA	NA
+PJ066531	TTTTTTMM 	C34H62N8O15S2	886.3776	NA	PeJP	NA	NA
+PJ066532	SSSSSNRY 	C34H54N12O16	886.3781	NA	PeJP	NA	NA
+PJ066533	SCCQKRY 	C35H58N12O11S2	886.379	NA	PeJP	NA	NA
+PJ066534	SNQQHHH 	C35H50N16O12	886.3794	NA	PeJP	NA	NA
+PJ066535	GDEHHHR 	C35H50N16O12	886.3795	NA	PeJP	NA	NA
+PJ066536	VEMHWW 	C43H54N10O9S	886.3796	NA	PeJP	NA	NA
+PJ066537	FYWWW 	C51H50N8O7	886.3803	NA	PeJP	NA	NA
+PJ066538	SSLEEHW 	C39H54N10O14	886.3821	NA	PeJP	NA	NA
+PJ066539	GGGGPVEEW 	C39H54N10O14	886.3822	NA	PeJP	NA	NA
+PJ066540	SCNDHRR 	C32H54N16O12S	886.3828	NA	PeJP	NA	NA
+PJ066541	TMMRYW 	C40H58N10O9S2	886.383	NA	PeJP	NA	NA
+MJ096941	Premnaodoroside D; 8,8',10,10'-Tetradehydro 	C42H62O20	886.383444	NA	MeJP	NA	NA
+MJ096942	Trillenogenin; 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C42H62O20	886.383444	NA	MeJP	NA	NA
+PJ066542	AAEHHHW 	C40H50N14O10	886.3835	NA	PeJP	NA	NA
+PJ066543	AMFFWW 	C48H54N8O7S	886.3837	NA	PeJP	NA	NA
+PJ066544	STTEMRY 	C36H58N10O14S	886.3855	NA	PeJP	NA	NA
+PJ066545	VQEYYW 	C44H54N8O12	886.3861	NA	PeJP	NA	NA
+PJ066546	GGLEYYW 	C44H54N8O12	886.3862	NA	PeJP	NA	NA
+PJ066547	GVMMMRY 	C37H62N10O9S3	886.3864	NA	PeJP	NA	NA
+PJ066548	GSNMHRW 	C37H54N14O10S	886.3868	NA	PeJP	NA	NA
+PJ066549	GGGSMHRW 	C37H54N14O10S	886.3869	NA	PeJP	NA	NA
+PJ066550	NHHFFW 	C45H50N12O8	886.3875	NA	PeJP	NA	NA
+PJ066551	GSSSQEHR 	C33H54N14O15	886.3893	NA	PeJP	NA	NA
+PJ066552	PNDDDRR 	C33H54N14O15	886.3894	NA	PeJP	NA	NA
+PJ066553	SSTLMYW 	C41H58N8O12S	886.3895	NA	PeJP	NA	NA
+PJ066554	TFFFYY 	C49H54N6O10	886.3902	NA	PeJP	NA	NA
+PJ066555	CQKHWW 	C42H54N12O8S	886.3909	NA	PeJP	NA	NA
+PJ066556	SSSTTLEY 	C37H58N8O17	886.392	NA	PeJP	NA	NA
+PJ066557	SVKEMMY 	C38H62N8O12S2	886.3929	NA	PeJP	NA	NA
+PJ066558	GPNEERW 	C38H54N12O13	886.3934	NA	PeJP	NA	NA
+PJ066559	PPCMHFR 	C39H58N12O8S2	886.3942	NA	PeJP	NA	NA
+PJ066560	DHHHRW 	C39H50N16O9	886.3947	NA	PeJP	NA	NA
+PJ066561	GSSSCKRY 	C35H58N12O13S	886.3967	NA	PeJP	NA	NA
+PJ066562	GGGSPPEMR 	C35H58N12O13S	886.3968	NA	PeJP	NA	NA
+PJ066563	AAPQEWW 	C43H54N10O11	886.3974	NA	PeJP	NA	NA
+PJ066564	MMMRRY 	C36H62N12O8S3	886.3976	NA	PeJP	NA	NA
+PJ066565	PTCHHHR 	C36H54N16O9S	886.3981	NA	PeJP	NA	NA
+MJ096943	Bryostatin 3; 26-Ketone 	C46H62O17	886.3987	NA	MeJP	NA	NA
+PJ066566	NNNNQQR 	C32H54N16O14	886.4006	NA	PeJP	NA	NA
+PJ066567	ASPMRYY 	C40H58N10O11S	886.4007	NA	PeJP	NA	NA
+PJ066568	ATLEMHW 	C40H58N10O11S	886.4008	NA	PeJP	NA	NA
+PJ066569	GLYYWW 	C48H54N8O9	886.4014	NA	PeJP	NA	NA
+PJ066570	GCQMHRR 	C33H58N16O9S2	886.4015	NA	PeJP	NA	NA
+PJ066571	SSSSTQKY 	C36H58N10O16	886.4032	NA	PeJP	NA	NA
+PJ066572	GGSSSTTKY 	C36H58N10O16	886.4033	NA	PeJP	NA	NA
+PJ066573	SSLMMRY 	C37H62N10O11S2	886.4041	NA	PeJP	NA	NA
+PJ066574	GGGGAPPLMM 	C37H62N10O11S2	886.4042	NA	PeJP	NA	NA
+PJ066575	SSSQHRW 	C37H54N14O12	886.4046	NA	PeJP	NA	NA
+PJ066576	PKMYYW 	C45H58N8O9S	886.4048	NA	PeJP	NA	NA
+PJ066577	PVVEEEW 	C41H58N8O14	886.4073	NA	PeJP	NA	NA
+PJ066578	GSPPCDRR 	C34H58N14O12S	886.408	NA	PeJP	NA	NA
+PJ066579	ALQMMFF 	C42H62N8O9S2	886.4081	NA	PeJP	NA	NA
+PJ066580	APKMMFY 	C42H62N8O9S2	886.4082	NA	PeJP	NA	NA
+PJ066581	PNERWW 	C42H54N12O10	886.4086	NA	PeJP	NA	NA
+PJ066582	SSSSLLMY 	C38H62N8O14S	886.4106	NA	PeJP	NA	NA
+PJ066583	APPTLEEM 	C38H62N8O14S	886.4107	NA	PeJP	NA	NA
+PJ066584	ALKMMMY 	C39H66N8O9S3	886.4115	NA	PeJP	NA	NA
+PJ066585	SPPNMRW 	C39H58N12O10S	886.412	NA	PeJP	NA	NA
+PJ066586	PVNWWW 	C47H54N10O8	886.4126	NA	PeJP	NA	NA
+PJ066587	GGPVWWW 	C47H54N10O8	886.4127	NA	PeJP	NA	NA
+PJ066588	PNDKEER 	C35H58N12O15	886.4145	NA	PeJP	NA	NA
+PJ066589	SCCKKRY 	C36H62N12O10S2	886.4154	NA	PeJP	NA	NA
+PJ066590	ATEHHHR 	C36H54N16O11	886.4158	NA	PeJP	NA	NA
+PJ066591	GGGGTKHHH 	C36H54N16O11	886.4159	NA	PeJP	NA	NA
+PJ066592	APPCKWW 	C44H58N10O8S	886.416	NA	PeJP	NA	NA
+PJ066593	TTTLEHW 	C40H58N10O13	886.4185	NA	PeJP	NA	NA
+PJ066594	SSNMHRR 	C33H58N16O11S	886.4192	NA	PeJP	NA	NA
+PJ066595	GLLMMHW 	C41H62N10O8S2	886.4194	NA	PeJP	NA	NA
+PJ066596	NQHFRW 	C41H54N14O9	886.4199	NA	PeJP	NA	NA
+PJ066597	GSSSKKMY 	C37H62N10O13S	886.4219	NA	PeJP	NA	NA
+PJ066598	VKEYYW 	C45H58N8O11	886.4225	NA	PeJP	NA	NA
+PJ066599	GGALEFFF 	C45H58N8O11	886.4226	NA	PeJP	NA	NA
+PJ066600	CCKKKMF 	C38H66N10O8S3	886.4228	NA	PeJP	NA	NA
+PJ066601	GTCKHRW 	C38H58N14O9S	886.4232	NA	PeJP	NA	NA
+PJ066602	GPRWWW 	C46H54N12O7	886.4239	NA	PeJP	NA	NA
+PJ066603	SPNEERR 	C34H58N14O14	886.4257	NA	PeJP	NA	NA
+PJ066604	GGGGGGLQER 	C34H58N14O14	886.4258	NA	PeJP	NA	NA
+PJ066605	SPVKMYY 	C42H62N8O11S	886.4259	NA	PeJP	NA	NA
+PJ066606	PPCQMRR 	C35H62N14O9S2	886.4266	NA	PeJP	NA	NA
+PJ066607	CKKHWW 	C43H58N12O7S	886.4273	NA	PeJP	NA	NA
+PJ066608	STTTTTLY 	C38H62N8O16	886.4284	NA	PeJP	NA	NA
+PJ066609	TTLKMMY 	C39H66N8O11S2	886.4293	NA	PeJP	NA	NA
+PJ066610	APTQERW 	C39H58N12O12	886.4297	NA	PeJP	NA	NA
+PJ066611	GPDKERW 	C39H58N12O12	886.4298	NA	PeJP	NA	NA
+PJ066612	MMFFRR 	C40H62N12O7S2	886.4306	NA	PeJP	NA	NA
+PJ066613	GPHHHFR 	C40H54N16O8	886.4311	NA	PeJP	NA	NA
+PJ066614	TTLEMHR 	C36H62N12O12S	886.4331	NA	PeJP	NA	NA
+PJ066615	GGGGGGGPLKM 	C36H62N12O12S	886.4332	NA	PeJP	NA	NA
+PJ066616	AAPKEWW 	C44H58N10O10	886.4338	NA	PeJP	NA	NA
+PJ066617	GLMHHHR 	C37H58N16O8S	886.4345	NA	PeJP	NA	NA
+MJ096944	Papulacandin A 	C47H66O16	886.435086	NA	MeJP	NA	NA
+PJ066618	GSSSTHRR 	C33H58N16O13	886.437	NA	PeJP	NA	NA
+PJ066619	STLLMHW 	C41H62N10O10S	886.4371	NA	PeJP	NA	NA
+PJ066620	GAPPTKMW 	C41H62N10O10S	886.4372	NA	PeJP	NA	NA
+PJ066621	PKFFYW 	C49H58N8O8	886.4378	NA	PeJP	NA	NA
+PJ066622	SSSSTKKY 	C37H62N10O15	886.4396	NA	PeJP	NA	NA
+PJ066623	PQKKEEE 	C37H62N10O15	886.4397	NA	PeJP	NA	NA
+PJ066624	SCKKKMY 	C38H66N10O10S2	886.4405	NA	PeJP	NA	NA
+PJ066625	GSPERRW 	C38H58N14O11	886.441	NA	PeJP	NA	NA
+PJ066626	LKMFYW 	C46H62N8O8S	886.4412	NA	PeJP	NA	NA
+PJ066627	PTLLEEW 	C42H62N8O13	886.4437	NA	PeJP	NA	NA
+2869	opioid peptide	YPFPGPIP	886.444	antibacterial	Inhouse_peptide	NA	peptide
+7501	ACE inhibitor from b-CN (60-66)	YPFPGPIP	886.444	antioxidative	Inhouse_peptide	NA	peptide
+PJ066628	STQKMHR 	C35H62N14O11S	886.4443	NA	PeJP	NA	NA
+PJ066629	APQEMRR 	C35H62N14O11S	886.4444	NA	PeJP	NA	NA
+PJ066630	PPLLMMW 	C43H66N8O8S2	886.4445	NA	PeJP	NA	NA
+PJ066631	PDKRWW 	C43H58N12O9	886.445	NA	PeJP	NA	NA
+PJ066632	APVLLDEM 	C39H66N8O13S	886.447	NA	PeJP	NA	NA
+PJ066633	GPVLLEEM 	C39H66N8O13S	886.4471	NA	PeJP	NA	NA
+PJ066634	GNNDRRR 	C32H58N18O12	886.4482	NA	PeJP	NA	NA
+PJ066635	GPLQMRW 	C40H62N12O9S	886.4484	NA	PeJP	NA	NA
+PJ066636	VLHFWW 	C48H58N10O7	886.449	NA	PeJP	NA	NA
+PJ066637	PTQKEER 	C36H62N12O14	886.4509	NA	PeJP	NA	NA
+PJ066638	SLLMMHR 	C37H66N12O9S2	886.4517	NA	PeJP	NA	NA
+PJ066639	VTLMMHR 	C37H66N12O9S2	886.4518	NA	PeJP	NA	NA
+PJ066640	NQQRRW 	C37H58N16O10	886.4522	NA	PeJP	NA	NA
+PJ066641	APKKEEW 	C41H62N10O12	886.4549	NA	PeJP	NA	NA
+PJ066642	GPDMRRR 	C34H62N16O10S	886.4556	NA	PeJP	NA	NA
+PJ066643	SPRRWW 	C42H58N14O8	886.4562	NA	PeJP	NA	NA
+MJ096945	3,26-Dihydroxyfurost-20(22)-en-6-one, 26-O-?-D-Glucopyranoside, 3-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096946	3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096947	3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096948	3-Hydroxyspirostan-6-one, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096949	Furosta-5,25(27)-diene-1,3,22,26-tetrol, 1-O-?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside, 26-?-D-glucopyranoside 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096950	Spirost-25(27)-ene-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096951	Spirost-5-ene-1,3,24-triol, 1-O-?-D-Fucopyranoside, 3-O-[?-D-apiofuranosyl-(1?4)-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096952	Spirost-5-ene-3,14,17-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096953	Spirost-5-ene-3,17,23-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+MJ096954	Spirost-5-ene-3,23,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O18	886.456215	NA	MeJP	NA	NA
+PJ066644	GGKHFRW 	C42H58N14O8	886.4563	NA	PeJP	NA	NA
+3984	NA	GMNRSPIL	886.4573	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ066645	PLLEEMR 	C38H66N10O12S	886.4583	NA	PeJP	NA	NA
+PJ066646	PPVLEFW 	C46H62N8O10	886.4589	NA	PeJP	NA	NA
+PJ066647	AAPMRRW 	C39H62N14O8S	886.4596	NA	PeJP	NA	NA
+MJ096955	Examorelin 	C47H58N12O6	886.460227	NA	MeJP	NA	NA
+MJ096956	Microginin 299A 	C45H67ClN6O10	886.46072	NA	MeJP	NA	NA
+HMDB09939	PIP(16:1(9Z)/16:1(9Z))	C41H76O16P2	886.460876	NA	HMDB2010	NA	NA
+HMDB09943	PIP(16:2(9Z,12Z)/16:0)	C41H76O16P2	886.460876	NA	HMDB2010	NA	NA
+PJ066648	GLQEERR 	C35H62N14O13	886.4621	NA	PeJP	NA	NA
+PJ066649	GGGGGGGGGVKK 	C35H62N14O13	886.4622	NA	PeJP	NA	NA
+PJ066650	PVLLEMW 	C43H66N8O10S	886.4623	NA	PeJP	NA	NA
+PJ066651	PPCKMRR 	C36H66N14O8S2	886.463	NA	PeJP	NA	NA
+PJ066652	GPQHHRR 	C36H58N18O9	886.4635	NA	PeJP	NA	NA
+PJ066653	AALLLEEE 	C39H66N8O15	886.4648	NA	PeJP	NA	NA
+PJ066654	SPPVLLMM 	C40H70N8O10S2	886.4657	NA	PeJP	NA	NA
+PJ066655	APTKERW 	C40H62N12O11	886.4661	NA	PeJP	NA	NA
+PJ066656	GGGLLERW 	C40H62N12O11	886.4662	NA	PeJP	NA	NA
+PJ066657	PVQKEMR 	C37H66N12O11S	886.4695	NA	PeJP	NA	NA
+PJ066658	GPTLKWW 	C45H62N10O9	886.4702	NA	PeJP	NA	NA
+PJ066659	ANNKERR 	C34H62N16O12	886.4733	NA	PeJP	NA	NA
+PJ066660	AAEERRR 	C34H62N16O12	886.4734	NA	PeJP	NA	NA
+PJ066661	PPTKKMW 	C42H66N10O9S	886.4735	NA	PeJP	NA	NA
+PJ066662	LKFFFW 	C50H62N8O7	886.4742	NA	PeJP	NA	NA
+PJ066663	VLLEEER 	C38H66N10O14	886.476	NA	PeJP	NA	NA
+PJ066664	GGAALLKEE 	C38H66N10O14	886.4761	NA	PeJP	NA	NA
+PJ066665	GPPVKKMM 	C39H70N10O9S2	886.4769	NA	PeJP	NA	NA
+PJ066666	LQERRW 	C39H62N14O10	886.4774	NA	PeJP	NA	NA
+MJ096957	N-Deacyltunicamycin; N4''-(16-Methyl-2-octadecenoyl) 	C42H70N4O16	886.478682	NA	MeJP	NA	NA
+PJ066667	STLLKYY 	C43H66N8O12	886.48	NA	PeJP	NA	NA
+PJ066668	VVLLEEW 	C43H66N8O12	886.4801	NA	PeJP	NA	NA
+PJ066669	APKEMRR 	C36H66N14O10S	886.4807	NA	PeJP	NA	NA
+PJ066670	GGPTLMRR 	C36H66N14O10S	886.4808	NA	PeJP	NA	NA
+PJ066671	VLQRWW 	C44H62N12O8	886.4814	NA	PeJP	NA	NA
+PJ066672	APTLLLEM 	C40H70N8O12S	886.4834	NA	PeJP	NA	NA
+PJ066673	DERRRR 	C33H62N18O11	886.4846	NA	PeJP	NA	NA
+PJ066674	GPLKMRW 	C41H66N12O8S	886.4848	NA	PeJP	NA	NA
+PJ066675	PTKKEER 	C37H66N12O13	886.4873	NA	PeJP	NA	NA
+PJ066676	PPKKMMR 	C38H70N12O8S2	886.4881	NA	PeJP	NA	NA
+MetaCyc04243	geranylgeranyl-chlorophyll a [geranylgeranyl-chl a;GG-chl a;GG-chlorophyll a;]	C55H66N4O5MG1	886.488363	NA	metacyc	NA	NA
+PJ066677	VDRRRW 	C38H62N16O9	886.4886	NA	PeJP	NA	NA
+8292	ACE inhibitor	QLGFLGPR	886.489	NA  ;SYN:(+)-2-Amino-3-mercaptopropionic acid; (2R)-2-amino-3-mercaptopropanoic acid; (2R)-2-amino-3-sulfanylpropanoic acid; (R)-2-Amino-3-mercaptopropanoate; (R)-2-amino-3-mercapto-Propanoic acid; (R)-(+)-cysteine; (R)-cysteine; 2-Amino-3-mercaptopropanoic acid; 2-Amino-3-mercaptopropionate; 2-Amino-3-mercaptopropionic acid; 3-mercapto-L-Alanine; B-mercaptoalanine; Carbocysteine; Cisteina; Cisteinum; Cystein; Cysteine; Cysteinum; Half-cystine; Free cysteine; L cysteine; L-(+)-cysteine; L-2-Amino-3-mercaptopropanoic acid; L-2-Amino-3-mercaptopropionic acid; L-cystein; L-cysteine; Polycysteine; Thioserine; alpha-amino-beta-thiolpropionic acid; beta-mercaptoalanine; acetylcysteine; (2R)-2-amino-3-mercaptopropanoate; (2R)-2-amino-3-sulfanylpropanoate; (R)-2-Amino-3-mercaptopropanoic acid; (R)-2-amino-3-mercapto-Propanoate; 2-Amino-3-mercaptopropanoate; L-2-Amino-3-mercaptopropanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ066678	SPLKKEW 	C42H66N10O11	886.4913	NA	PeJP	NA	NA
+PJ066679	APTMRRR 	C35H66N16O9S	886.492	NA	PeJP	NA	NA
+C08905	Osladin	C45H74O17	886.4926	NA	KEGG	NA	NA
+C08912	Sarsasapogenin 3-O-4G-rhamnosylsophoroside	C45H74O17	886.4926	NA	KEGG	NA	NA
+MJ096958	16,23-Epoxycholest-24-ene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096959	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-xylopyranoside 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096960	22,26-Epoxy-3-hydroxycholestan-6-one, 3-O-[?-L-Rhamnopyranosyl(1?2)-?-D-glucopyranoside], 26-O-?-L-rhamnopyranoside 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096961	Furost-5-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-L-rhamnopyranoside 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096962	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096963	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096964	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096965	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-galactopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096966	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1??)-[?-D-glucopyranosyl-(1??)]-?-L-rhamnopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096967	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096968	Spirostan-3-ol, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096969	Spirostane-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+MJ096970	Spirostane-3,6-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O17	886.4926	NA	MeJP	NA	NA
+PJ066680	ALRRWW 	C43H62N14O7	886.4926	NA	PeJP	NA	NA
+PJ066681	AAPLKKEM 	C39H70N10O11S	886.4947	NA	PeJP	NA	NA
+PJ066682	PPVLLYW 	C47H66N8O9	886.4953	NA	PeJP	NA	NA
+PJ066683	GLKEERR 	C36H66N14O12	886.4985	NA	PeJP	NA	NA
+MJ096971	Cycloamanide C 	C44H70N8O9S	886.498646	NA	MeJP	NA	NA
+PJ066684	GPPLLLMF 	C44H70N8O9S	886.4987	NA	PeJP	NA	NA
+PJ066685	GPKHHRR 	C37H62N18O8	886.4999	NA	PeJP	NA	NA
+PJ066686	GTLLLLEE 	C40H70N8O14	886.5012	NA	PeJP	NA	NA
+MJ096972	Xuxuarine B? 	C56H70O9	886.501983	NA	MeJP	NA	NA
+PJ066687	GPLLLLMM 	C41H74N8O9S2	886.5021	NA	PeJP	NA	NA
+PJ066688	GVLKERW 	C41H66N12O10	886.5025	NA	PeJP	NA	NA
+PJ066689	PVKKEMR 	C38H70N12O10S	886.5059	NA	PeJP	NA	NA
+PJ066690	AALLKWW 	C46H66N10O8	886.5066	NA	PeJP	NA	NA
+MJ096973	Avermectin B1a; O5-Me 	C49H74O14	886.507857	NA	MeJP	NA	NA
+MJ096974	Avermectin B1c 	C49H74O14	886.507857	NA	MeJP	NA	NA
+C11984	Avermectin A1a	C49H74O14	886.5079	NA	KEGG	NA	NA
+PJ066691	GTLERRR 	C35H66N16O11	886.5097	NA	PeJP	NA	NA
+PJ066692	GGGKKERR 	C35H66N16O11	886.5098	NA	PeJP	NA	NA
+PJ066693	PVVKKMW 	C43H70N10O8S	886.5099	NA	PeJP	NA	NA
+PJ066694	LLQKKEE 	C39H70N10O13	886.5124	NA	PeJP	NA	NA
+PJ066695	LKERRW 	C40H66N14O9	886.5138	NA	PeJP	NA	NA
+PJ066696	TLLLLEW 	C44H70N8O11	886.5164	NA	PeJP	NA	NA
+PJ066697	GPVLLLEF 	C44H70N8O11	886.5165	NA	PeJP	NA	NA
+PJ066698	SPLKMRR 	C37H70N14O9S	886.5171	NA	PeJP	NA	NA
+PJ066699	VLKRWW 	C45H66N12O7	886.5178	NA	PeJP	NA	NA
+PJ066700	GVLLLLEM 	C41H74N8O11S	886.5198	NA	PeJP	NA	NA
+PJ066701	GSQKRRR 	C34H66N18O10	886.521	NA	PeJP	NA	NA
+MJ096975	Gnidilatidin; 20-Hexadecanoyl 	C53H74O11	886.523113	NA	MeJP	NA	NA
+PJ066702	TLLQKER 	C38H70N12O12	886.5236	NA	PeJP	NA	NA
+PJ066703	VVKKEER 	C38H70N12O12	886.5237	NA	PeJP	NA	NA
+PJ066704	TLRRRW 	C39H66N16O8	886.525	NA	PeJP	NA	NA
+PJ066705	ALLKKEW 	C43H70N10O10	886.5277	NA	PeJP	NA	NA
+PJ066706	GVLMRRR 	C36H70N16O8S	886.5284	NA	PeJP	NA	NA
+MJ096976	Antibiotic 6016 	C46H78O16	886.528986	NA	MeJP	NA	NA
+MJ096977	Antibiotic UK 41637 	C46H78O16	886.528986	NA	MeJP	NA	NA
+PJ066707	LLLLEMR 	C40H74N10O10S	886.5311	NA	PeJP	NA	NA
+PJ066708	PVLLLFW 	C48H70N8O8	886.5317	NA	PeJP	NA	NA
+MJ096978	Lavendothricin; Lavendothricin C 	C37H70N14O11	886.534849	NA	MeJP	NA	NA
+MJ096979	Streptothricin; Streptothricin C 	C37H70N14O11	886.534849	NA	MeJP	NA	NA
+PJ066709	SVLKERR 	C37H70N14O11	886.5349	NA	PeJP	NA	NA
+PJ066710	VLLLLMW 	C45H74N8O8S	886.5351	NA	PeJP	NA	NA
+PJ066711	PFRRRR 	C38H66N18O7	886.5362	NA	PeJP	NA	NA
+PJ066712	SSLLLLLE 	C41H74N8O13	886.5376	NA	PeJP	NA	NA
+PJ066713	ATLLKRW 	C42H70N12O9	886.5389	NA	PeJP	NA	NA
+PJ066714	LMRRRR 	C35H70N18O7S	886.5396	NA	PeJP	NA	NA
+PJ066715	VLLQKMR 	C39H74N12O9S	886.5423	NA	PeJP	NA	NA
+PJ066716	SSLLRRR 	C36H70N16O10	886.5461	NA	PeJP	NA	NA
+PJ066717	LLKKKEE 	C40H74N10O12	886.5488	NA	PeJP	NA	NA
+PJ066718	AAKKKRW 	C41H70N14O8	886.5501	NA	PeJP	NA	NA
+PJ066719	APLKFRR 	C41H70N14O8	886.5502	NA	PeJP	NA	NA
+PJ066720	GPVLLLLY 	C45H74N8O10	886.5528	NA	PeJP	NA	NA
+PJ066721	ALLKMRR 	C38H74N14O8S	886.5535	NA	PeJP	NA	NA
+PJ066722	ATLLLLLM 	C42H78N8O10S	886.5562	NA	PeJP	NA	NA
+HMDB09793	PI(16:0/22:4(10Z,13Z,16Z,19Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09794	PI(16:0/22:4(7Z,10Z,13Z,16Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09815	PI(18:0/20:4(5Z,8Z,11Z,14Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09816	PI(18:0/20:4(8Z,11Z,14Z,17Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09830	PI(18:1(11Z)/20:3(5Z,8Z,11Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09831	PI(18:1(11Z)/20:3(8Z,11Z,14Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09842	PI(18:1(9Z)/20:3(5Z,8Z,11Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09843	PI(18:1(9Z)/20:3(8Z,11Z,14Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09853	PI(18:2(9Z,12Z)/20:2(11Z,14Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09877	PI(20:2(11Z,14Z)/18:2(9Z,12Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09881	PI(20:3(5Z,8Z,11Z)/18:1(11Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09882	PI(20:3(5Z,8Z,11Z)/18:1(9Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09888	PI(20:3(8Z,11Z,14Z)/18:1(11Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09889	PI(20:3(8Z,11Z,14Z)/18:1(9Z))	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09894	PI(20:4(5Z,8Z,11Z,14Z)/18:0)	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09900	PI(20:4(8Z,11Z,14Z,17Z)/18:0)	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09912	PI(22:4(10Z,13Z,16Z,19Z)/16:0)	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+HMDB09914	PI(22:4(7Z,10Z,13Z,16Z)/16:0)	C47H83O13P	886.557129	NA	HMDB2010	NA	NA
+PJ066723	GSKKRRR 	C35H70N18O9	886.5574	NA	PeJP	NA	NA
+PJ066724	TLLKKER 	C39H74N12O11	886.56	NA	PeJP	NA	NA
+PJ066725	GGLKKKKE 	C39H74N12O11	886.5601	NA	PeJP	NA	NA
+MJ096980	Romurtide 	C43H78N6O13	886.562686	NA	MeJP	NA	NA
+PJ066726	SLLLKKW 	C44H74N10O9	886.5641	NA	PeJP	NA	NA
+PJ066727	AALLLKKM 	C41H78N10O9S	886.5674	NA	PeJP	NA	NA
+PJ066728	TTLLKRR 	C38H74N14O10	886.5713	NA	PeJP	NA	NA
+PJ066729	TTTLLLLL 	C42H78N8O12	886.574	NA	PeJP	NA	NA
+PJ066730	GLKKKKW 	C43H74N12O8	886.5753	NA	PeJP	NA	NA
+PJ066731	VLLKKMR 	C40H78N12O8S	886.5787	NA	PeJP	NA	NA
+PJ066732	ATKKKRR 	C37H74N16O9	886.5825	NA	PeJP	NA	NA
+PJ066733	ATTLLLKK 	C41H78N10O11	886.5852	NA	PeJP	NA	NA
+PJ066734	GVLLLLLF 	C46H78N8O9	886.5892	NA	PeJP	NA	NA
+PJ066735	VKKKKKE 	C40H78N12O10	886.5964	NA	PeJP	NA	NA
+PJ066736	LLLLLFR 	C45H78N10O8	886.6005	NA	PeJP	NA	NA
+PJ066737	SLKKKKR 	C39H78N14O9	886.6077	NA	PeJP	NA	NA
+MJ096981	1,2-Diphytanylglyceryl-3-phosphorylglycerol; 3''-O-Sulfate 	C46H95O11PS	886.633271	NA	MeJP	NA	NA
+C02184	Plastoquinal-9	C63H98O2	886.7567	NA	KEGG	NA	NA
+HMDB05383	TG(16:0/18:1(9Z)/20:1(11Z))[iso6]	C57H106O6	886.79895	http://www.hmdb.ca/metabolites/HMDB05383	HMDB	NA	NA
+HMDB05388	TG(16:0/18:2(9Z,12Z)/20:0)[iso6]	C57H106O6	886.79895	http://www.hmdb.ca/metabolites/HMDB05388	HMDB	NA	NA
+HMDB05397	TG(18:0/18:0/18:2(9Z,12Z))[iso3]	C57H106O6	886.79895	http://www.hmdb.ca/metabolites/HMDB05397	HMDB	NA	NA
+HMDB05403	TG(18:0/18:1(9Z)/18:1(9Z))[iso3]	C57H106O6	886.79895	http://www.hmdb.ca/metabolites/HMDB05403	HMDB	NA	NA
+HMDB05424	TG(16:1(9Z)/18:0/20:1(11Z))[iso6]	C57H106O6	886.79895	http://www.hmdb.ca/metabolites/HMDB05424	HMDB	NA	NA
+HMDB05437	TG(16:1(9Z)/18:1(9Z)/20:0)[iso6]	C57H106O6	886.79895	http://www.hmdb.ca/metabolites/HMDB05437	HMDB	NA	NA
+HMDB05383	TG(16:0/18:1(9Z)/20:1(11Z))[iso6]	C57H106O6	886.79895	HMDB05383	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05388	TG(16:0/18:2(9Z,12Z)/20:0)[iso6]	C57H106O6	886.79895	HMDB05388	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05397	TG(18:0/18:0/18:2(9Z,12Z))[iso3]	C57H106O6	886.79895	HMDB05397	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05403	TG(18:0/18:1(9Z)/18:1(9Z))[iso3]	C57H106O6	886.79895	HMDB05403	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05424	TG(16:1(9Z)/18:0/20:1(11Z))[iso6]	C57H106O6	886.79895	HMDB05424	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05437	TG(16:1(9Z)/18:1(9Z)/20:0)[iso6]	C57H106O6	886.79895	HMDB05437	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05383	TG(16:0/18:1(9Z)/20:1(11Z))[iso6]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB05388	TG(16:0/18:2(9Z,12Z)/20:0)[iso6]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB05397	TG(18:0/18:0/18:2(9Z,12Z))[iso3]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB05403	TG(18:0/18:1(9Z)/18:1(9Z))[iso3]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB05424	TG(16:1(9Z)/18:0/20:1(11Z))[iso6]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB05437	TG(16:1(9Z)/18:1(9Z)/20:0)[iso6]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB10445	TG(18:1(11Z)/18:0/18:1(11Z))[iso3]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+HMDB10446	TG(18:1(11Z)/18:0/18:1(9Z))[iso6]	C57H106O6	886.79895	NA	HMDB2010	NA	NA
+7457	coeliac toxic peptide	WQQQPPFSQEQPQF	886.8965	MH2+	Inhouse_peptide	NA	peptide
+MJ096982	1-Tritriacontanol; Octacosanoyl 	C61H122O2	886.944483	NA	MeJP	NA	NA
+MJ096983	Triacontanoic acid; Hentriacontyl ester 	C61H122O2	886.944483	NA	MeJP	NA	NA
+MJ096984	Phenelfamycin; Phenelfamycin C, 21-Epimer, 23-de(phenylacetoxy) 	C50H17NO16	887.054733	NA	MeJP	NA	NA
+C02949	4-Hydroxybenzoyl-CoA	C28H40N7O18P3S	887.1363	NA	KEGG	NA	NA
+C05195	3-Hydroxybenzoyl-CoA	C28H40N7O18P3S	887.1363	NA	KEGG	NA	NA
+C05196	Dihydroflavodoxin	C28H40N7O18P3S	887.1363	NA	KEGG	NA	NA
+C05197	[Formate C-acetyltransferase]-glycine	C3H4N2O2R2	887.1363	NA	KEGG	NA	NA
+MJ096985	4-Hydroxybenzoyl-CoA 	C28H40N7O18P3S	887.136337	NA	MeJP	NA	NA
+MetaCyc04244	salicyloyl-CoA []	C28H40N7O18P3S1	887.136338	NA	metacyc	NA	NA
+MetaCyc04245	3-hydroxybenzoyl-CoA []	C28H40N7O18P3S1	887.136338	NA	metacyc	NA	NA
+MetaCyc04246	4-hydroxybenzoyl-CoA []	C28H40N7O18P3S1	887.136338	NA	metacyc	NA	NA
+HMDB06467	4-hydroxybenzoyl-CoA	C28H40N7O18P3S	887.13635	http://www.hmdb.ca/metabolites/HMDB06467	HMDB	NA	NA
+HMDB06467	4-hydroxybenzoyl-CoA	C28H40N7O18P3S	887.13635	HMDB06467	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06467	4-hydroxybenzoyl-CoA	C28H40N7O18P3S	887.136353	NA	HMDB2010	NA	NA
+PJ066738	CCCCCCNH 	C28H45N11O10S6	887.1676	NA	PeJP	NA	NA
+PJ066739	GPPCCCCCC 	C30H49N9O10S6	887.1927	NA	PeJP	NA	NA
+PJ066740	CCCCNNND 	C28H45N11O14S4	887.2031	NA	PeJP	NA	NA
+HMDB02185	3-trans,5-cis-Octadienoyl-CoA	C30H48N7O16P3S	887.209106	NA	HMDB2010	NA	NA
+HMDB02185	3-trans,5-cis-Octadienoyl-CoA	C30H48N7O16P3S	887.20911	http://www.hmdb.ca/metabolites/HMDB02185	HMDB	NA	NA
+HMDB02185	3-trans,5-cis-Octadienoyl-CoA	C30H48N7O16P3S	887.20911	HMDB02185	PFEM_hmdb_metabocards_official	NA	NA
+PJ066741	SCCCNDDE 	C29H45N9O17S3	887.2096	NA	PeJP	NA	NA
+PJ066742	PCCCCNDM 	C30H49N9O12S5	887.2105	NA	PeJP	NA	NA
+PJ066743	CCCCMYY 	C35H49N7O10S5	887.2145	NA	PeJP	NA	NA
+FL7AAIGL0020	Salviamalvin	C41H43O22	887.22459	128508-48-5	knapsack	NA	NA
+PJ066744	GSCCCDDW 	C33H45N9O14S3	887.2249	NA	PeJP	NA	NA
+PJ066745	APCCCCCW 	C34H49N9O9S5	887.2257	NA	PeJP	NA	NA
+PJ066746	GSSSCCDDD 	C29H45N9O19S2	887.2274	NA	PeJP	NA	NA
+PJ066747	GCCNDDMM 	C30H49N9O14S4	887.2282	NA	PeJP	NA	NA
+PJ066748	SCCCNNNM 	C29H49N11O13S4	887.2394	NA	PeJP	NA	NA
+PJ066749	GCCCCDER 	C29H49N11O13S4	887.2395	NA	PeJP	NA	NA
+PJ066750	GCCNDDDF 	C33H45N9O16S2	887.2426	NA	PeJP	NA	NA
+PJ066751	CCCNEMW 	C34H49N9O11S4	887.2435	NA	PeJP	NA	NA
+FL7AAIGL0027	Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside	C38H47O24	887.24572	-	knapsack	NA	NA
+FL7AAIGL0028	Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside)	C38H47O24	887.24572	-	knapsack	NA	NA
+PJ066752	SSCCNDEM 	C30H49N9O16S3	887.246	NA	PeJP	NA	NA
+PJ066753	SPCCCNMM 	C31H53N9O11S5	887.2468	NA	PeJP	NA	NA
+PJ066754	GGSPCCCMM 	C31H53N9O11S5	887.2469	NA	PeJP	NA	NA
+PJ066755	GCCCNDHH 	C31H45N13O12S3	887.2473	NA	PeJP	NA	NA
+PJ066756	CCCCFFY 	C39H49N7O9S4	887.2475	NA	PeJP	NA	NA
+PJ066757	DDDDDMY 	C34H45N7O19S	887.2491	NA	PeJP	NA	NA
+PJ066758	DDDMMMM 	C32H53N7O14S4	887.2534	NA	PeJP	NA	NA
+PJ066759	CCCCDRW 	C33H49N11O10S4	887.2547	NA	PeJP	NA	NA
+PJ066760	SSCCCDDR 	C29H49N11O15S3	887.2572	NA	PeJP	NA	NA
+PJ066761	PTCCCCCR 	C30H53N11O10S5	887.2581	NA	PeJP	NA	NA
+PJ066762	GCCCMWW 	C38H49N9O8S4	887.2587	NA	PeJP	NA	NA
+PJ066763	GSCNDDDY 	C33H45N9O18S	887.2604	NA	PeJP	NA	NA
+FL7AAAGL0050	Pelargonidin 3-(4'''-p-coumarylrutinoside)-5-glucoside	C42H47O21	887.26098	202335-29-3	knapsack	NA	NA
+PJ066764	GSSCCDMW 	C34H49N9O13S3	887.2612	NA	PeJP	NA	NA
+PJ066765	GSSSSCDDM 	C30H49N9O18S2	887.2637	NA	PeJP	NA	NA
+PJ066766	GSCNDMMM 	C31H53N9O13S4	887.2646	NA	PeJP	NA	NA
+PJ066767	ACCCYYY 	C39H49N7O11S3	887.2652	NA	PeJP	NA	NA
+PJ066768	DDDDMMF 	C35H49N7O16S2	887.2678	NA	PeJP	NA	NA
+PJ066769	GCCCNNQF 	C33H49N11O12S3	887.2725	NA	PeJP	NA	NA
+PJ066770	SSSSSCCNN 	C29H49N11O17S2	887.275	NA	PeJP	NA	NA
+PJ066771	GSCCCEMR 	C30H53N11O12S4	887.2758	NA	PeJP	NA	NA
+PJ066772	GGGGTCCCCK 	C30H53N11O12S4	887.2759	NA	PeJP	NA	NA
+PJ066773	STCCCWW 	C38H49N9O10S3	887.2765	NA	PeJP	NA	NA
+PJ066774	DDDEEEH 	C33H45N9O20	887.2781	NA	PeJP	NA	NA
+PJ066775	SSSSCCEW 	C34H49N9O15S2	887.279	NA	PeJP	NA	NA
+PJ066776	SCCQMMW 	C35H53N9O10S4	887.2798	NA	PeJP	NA	NA
+PJ066777	GGTCCMMW 	C35H53N9O10S4	887.2799	NA	PeJP	NA	NA
+PJ066778	SSSSSSCDE 	C30H49N9O20S	887.2815	NA	PeJP	NA	NA
+PJ066779	DDDDDFF 	C38H45N7O18	887.2822	NA	PeJP	NA	NA
+PJ066780	SSSCNEMM 	C31H53N9O15S3	887.2824	NA	PeJP	NA	NA
+PJ066781	GCNNNDDH 	C31H45N13O16S	887.2828	NA	PeJP	NA	NA
+PJ066782	GGGGGCNDDH 	C31H45N13O16S	887.2829	NA	PeJP	NA	NA
+PJ066783	SSCCYYY 	C39H49N7O13S2	887.283	NA	PeJP	NA	NA
+PJ066784	CNQMMMM 	C32H57N9O10S5	887.2832	NA	PeJP	NA	NA
+PJ066785	GSCCNMHH 	C32H49N13O11S3	887.2837	NA	PeJP	NA	NA
+PJ066786	SDDEEMY 	C35H49N7O18S	887.2855	NA	PeJP	NA	NA
+PJ066787	PCDEMMY 	C36H53N7O13S3	887.2864	NA	PeJP	NA	NA
+PJ066788	CDDDHHF 	C36H45N11O14S	887.2869	NA	PeJP	NA	NA
+PJ066789	GSNDDDEH 	C32H45N11O19	887.2894	NA	PeJP	NA	NA
+PJ066790	SEEMMMM 	C33H57N7O13S4	887.2898	NA	PeJP	NA	NA
+PJ066791	CCNDDRY 	C33H49N11O14S2	887.2902	NA	PeJP	NA	NA
+PJ066792	SCCCMRW 	C34H53N11O9S4	887.2911	NA	PeJP	NA	NA
+PJ066793	CCDHHHH 	C34H45N15O10S2	887.2916	NA	PeJP	NA	NA
+PJ066794	SSSCCDMR 	C30H53N11O14S3	887.2936	NA	PeJP	NA	NA
+PJ066795	GCNDMYW 	C38H49N9O12S2	887.2942	NA	PeJP	NA	NA
+PJ066796	GGGCDMYW 	C38H49N9O12S2	887.2943	NA	PeJP	NA	NA
+PJ066797	CCNMMMR 	C31H57N11O9S5	887.2945	NA	PeJP	NA	NA
+PJ066798	GSSNDDMY 	C34H49N9O17S	887.2967	NA	PeJP	NA	NA
+PJ066799	GGGSSDDMY 	C34H49N9O17S	887.2968	NA	PeJP	NA	NA
+PJ066800	GSSSCMMW 	C35H53N9O12S3	887.2976	NA	PeJP	NA	NA
+MJ096986	Perdeacyleuojaponin; 1,6-Dibenzoyl, 8,9,14-tri-Ac 	C46H49NO17	887.300049	NA	MeJP	NA	NA
+MJ096987	Perdeacyleuojaponin; 1,9-Dibenzoyl, 2,8,14-tri-Ac 	C46H49NO17	887.300049	NA	MeJP	NA	NA
+MJ096988	Perdeacylwilforine; 1,2-Dibenzoyl, 8,9,14-tri-Ac 	C46H49NO17	887.300049	NA	MeJP	NA	NA
+PJ066801	GSSSSSDMM 	C31H53N9O17S2	887.3001	NA	PeJP	NA	NA
+PJ066802	PCDDEFY 	C39H49N7O15S	887.3008	NA	PeJP	NA	NA
+PJ066803	GSSNMMMM 	C32H57N9O12S4	887.301	NA	PeJP	NA	NA
+PJ066804	SSSCCQHH 	C32H49N13O13S2	887.3015	NA	PeJP	NA	NA
+PJ066805	GEEEMMY 	C36H53N7O15S2	887.3041	NA	PeJP	NA	NA
+PJ066806	SNDDDHW 	C36H45N11O16	887.3046	NA	PeJP	NA	NA
+PJ066807	PCEMMMF 	C37H57N7O10S4	887.305	NA	PeJP	NA	NA
+PJ066808	PCCNEHW 	C37H49N11O11S2	887.3055	NA	PeJP	NA	NA
+PJ066809	SSSCNNNY 	C33H49N11O16S	887.308	NA	PeJP	NA	NA
+PJ066810	VDMMMMM 	C34H61N7O10S5	887.3084	NA	PeJP	NA	NA
+PJ066811	CCNDMFR 	C34H53N11O11S3	887.3088	NA	PeJP	NA	NA
+PJ066812	GSPCCCRY 	C34H53N11O11S3	887.3089	NA	PeJP	NA	NA
+PJ066813	CCQYWW 	C42H49N9O9S2	887.3095	NA	PeJP	NA	NA
+PJ066814	SSCNEYW 	C38H49N9O14S	887.312	NA	PeJP	NA	NA
+PJ066815	GSTCCMMR 	C31H57N11O11S4	887.3122	NA	PeJP	NA	NA
+PJ066816	GCNMMFW 	C39H53N9O9S3	887.3129	NA	PeJP	NA	NA
+PJ066817	SSSSNDEY 	C34H49N9O19	887.3145	NA	PeJP	NA	NA
+PJ066818	SSSSTCMW 	C35H53N9O14S2	887.3154	NA	PeJP	NA	NA
+PJ066819	CNYYYY 	C43H49N7O12S	887.316	NA	PeJP	NA	NA
+PJ066820	SCCKMMW 	C36H57N9O9S4	887.3162	NA	PeJP	NA	NA
+PJ066821	GPCCCKMF 	C36H57N9O9S4	887.3163	NA	PeJP	NA	NA
+PJ066822	CCNQHHF 	C36H49N13O10S2	887.3167	NA	PeJP	NA	NA
+PJ066823	SSSSSSSEM 	C31H53N9O19S	887.3179	NA	PeJP	NA	NA
+PJ066824	SPDDEYY 	C39H49N7O17	887.3185	NA	PeJP	NA	NA
+PJ066825	SSSSQMMM 	C32H57N9O14S3	887.3187	NA	PeJP	NA	NA
+PJ066826	CNDDEHR 	C32H49N13O15S	887.3192	NA	PeJP	NA	NA
+PJ066827	EEMMYW 	C40H53N7O12S2	887.3194	NA	PeJP	NA	NA
+PJ066828	CNKMMMM 	C33H61N9O9S5	887.3196	NA	PeJP	NA	NA
+PJ066829	GTCCCKHH 	C33H53N13O10S3	887.3201	NA	PeJP	NA	NA
+PJ066830	GPCCHWW 	C41H49N11O8S2	887.3207	NA	PeJP	NA	NA
+PJ066831	STEEEMY 	C36H53N7O17S	887.3219	NA	PeJP	NA	NA
+PJ066832	SPEMMMY 	C37H57N7O12S3	887.3228	NA	PeJP	NA	NA
+PJ066833	GNDEMHW 	C37H49N11O13S	887.3232	NA	PeJP	NA	NA
+PJ066834	GGGDEMHW 	C37H49N11O13S	887.3233	NA	PeJP	NA	NA
+PJ066835	ACCCFRW 	C38H53N11O8S3	887.3241	NA	PeJP	NA	NA
+PJ066836	GSSNEEEH 	C33H49N11O18	887.3257	NA	PeJP	NA	NA
+PJ066837	GGGSSEEEH 	C33H49N11O18	887.3258	NA	PeJP	NA	NA
+PJ066838	SCNDMRY 	C34H53N11O13S2	887.3266	NA	PeJP	NA	NA
+PJ066839	NNDDHHH 	C34H45N15O14	887.3271	NA	PeJP	NA	NA
+PJ066840	GSSCYWW 	C42H49N9O11S	887.3273	NA	PeJP	NA	NA
+PJ066841	AMMMMHH 	C35H57N11O8S4	887.3275	NA	PeJP	NA	NA
+PJ066842	SCMHHHH 	C35H49N15O9S2	887.3279	NA	PeJP	NA	NA
+PJ066843	GSSSSDYW 	C38H49N9O16	887.3298	NA	PeJP	NA	NA
+PJ066844	SSSSCMMR 	C31H57N11O13S3	887.33	NA	PeJP	NA	NA
+PJ066845	GSNMMYW 	C39H53N9O11S2	887.3306	NA	PeJP	NA	NA
+PJ066846	GSSSQEMY 	C35H53N9O16S	887.3331	NA	PeJP	NA	NA
+PJ066847	GGGPPDEEM 	C35H53N9O16S	887.3332	NA	PeJP	NA	NA
+PJ066848	DEEFYW 	C43H49N7O14	887.3338	NA	PeJP	NA	NA
+PJ066849	GQQMMMY 	C36H57N9O11S3	887.334	NA	PeJP	NA	NA
+PJ066850	GCDDHRW 	C36H49N13O12S	887.3345	NA	PeJP	NA	NA
+PJ066851	GSSSSTTMM 	C32H57N9O16S2	887.3365	NA	PeJP	NA	NA
+PJ066852	GSSDDDHR 	C32H49N13O17	887.337	NA	PeJP	NA	NA
+PJ066853	GPEEMYY 	C40H53N7O14S	887.3372	NA	PeJP	NA	NA
+PJ066854	GSTCKMMM 	C33H61N9O11S4	887.3374	NA	PeJP	NA	NA
+PJ066855	ASPCCDHR 	C33H53N13O12S2	887.3378	NA	PeJP	NA	NA
+PJ066856	GSPCCEHR 	C33H53N13O12S2	887.3379	NA	PeJP	NA	NA
+PJ066857	PPCMMFY 	C41H57N7O9S3	887.338	NA	PeJP	NA	NA
+PJ066858	NDMHWW 	C41H49N11O10S	887.3385	NA	PeJP	NA	NA
+PJ066859	SVEEMMY 	C37H57N7O14S2	887.3405	NA	PeJP	NA	NA
+PJ066860	SSNEEHW 	C37H49N11O15	887.341	NA	PeJP	NA	NA
+PJ066861	PCLMMMY 	C38H61N7O9S4	887.3414	NA	PeJP	NA	NA
+PJ066862	GTCCRYW 	C38H53N11O10S2	887.3419	NA	PeJP	NA	NA
+PJ066863	GSSSCERY 	C34H53N11O15S	887.3444	NA	PeJP	NA	NA
+PJ066864	TLMMMMM 	C35H65N7O9S5	887.3448	NA	PeJP	NA	NA
+PJ066865	NNEYYW 	C42H49N9O13	887.345	NA	PeJP	NA	NA
+PJ066866	GCQMMRY 	C35H57N11O10S3	887.3452	NA	PeJP	NA	NA
+PJ066867	GGGAPMMMH 	C35H57N11O10S3	887.3453	NA	PeJP	NA	NA
+PJ066868	GSPCNHHH 	C35H49N15O11S	887.3457	NA	PeJP	NA	NA
+PJ066869	CCKYWW 	C43H53N9O8S2	887.3459	NA	PeJP	NA	NA
+PJ066870	GNNNNNNQ 	C31H49N15O16	887.3482	NA	PeJP	NA	NA
+PJ066871	GGGGGGGGGGGGGQ 	C31H49N15O16	887.3483	NA	PeJP	NA	NA
+MJ096989	Amanitin; Amanullinic acid 	C39H53N9O13S	887.348353	NA	MeJP	NA	NA
+PJ066872	SSSQMYW 	C39H53N9O13S	887.3484	NA	PeJP	NA	NA
+PJ066873	CNNNMHR 	C32H53N15O11S2	887.3491	NA	PeJP	NA	NA
+PJ066874	ACCKMFW 	C40H57N9O8S3	887.3493	NA	PeJP	NA	NA
+PJ066875	SSSSTQEY 	C35H53N9O18	887.3509	NA	PeJP	NA	NA
+PJ066876	STQQMMY 	C36H57N9O13S2	887.3517	NA	PeJP	NA	NA
+PJ066877	SNDKMMY 	C36H57N9O13S2	887.3518	NA	PeJP	NA	NA
+PJ066878	GSSSNNHW 	C36H49N13O14	887.3522	NA	PeJP	NA	NA
+PJ066879	GGGGGGNEHF 	C36H49N13O14	887.3523	NA	PeJP	NA	NA
+PJ066880	PEMYYW 	C44H53N7O11S	887.3524	NA	PeJP	NA	NA
+PJ066881	SPCCHRW 	C37H53N13O9S2	887.3531	NA	PeJP	NA	NA
+PJ066882	ACHWWW 	C45H49N11O7S	887.3538	NA	PeJP	NA	NA
+PJ066883	SSSSSTTTM 	C32H57N9O18S	887.3542	NA	PeJP	NA	NA
+PJ066884	GVEEEYY 	C40H53N7O16	887.3549	NA	PeJP	NA	NA
+PJ066885	SSSSKMMM 	C33H61N9O13S3	887.3551	NA	PeJP	NA	NA
+PJ066886	SNDEMHR 	C33H53N13O14S	887.3556	NA	PeJP	NA	NA
+PJ066887	SPPMMYY 	C41H57N7O11S2	887.3558	NA	PeJP	NA	NA
+PJ066888	GSSEHWW 	C41H49N11O12	887.3563	NA	PeJP	NA	NA
+PJ066889	GCCMRRY 	C34H57N13O9S3	887.3565	NA	PeJP	NA	NA
+PJ066890	MMHHFW 	C42H53N11O7S2	887.3571	NA	PeJP	NA	NA
+PJ066891	ALEMMMY 	C38H61N7O11S3	887.3591	NA	PeJP	NA	NA
+PJ066892	VVDMMMY 	C38H61N7O11S3	887.3592	NA	PeJP	NA	NA
+PJ066893	SSSCRYW 	C38H53N11O12S	887.3596	NA	PeJP	NA	NA
+PJ066894	GNYYWW 	C46H49N9O10	887.3603	NA	PeJP	NA	NA
+PJ066895	ACHHHHF 	C39H49N15O8S	887.361	NA	PeJP	NA	NA
+PJ066896	SSSSSDRY 	C34H53N11O17	887.3621	NA	PeJP	NA	NA
+PJ066897	GGGGGGAPTEE 	C34H53N11O17	887.3622	NA	PeJP	NA	NA
+PJ066898	SSNMMRY 	C35H57N11O12S2	887.363	NA	PeJP	NA	NA
+PJ066899	SNQEHHH 	C35H49N15O13	887.3635	NA	PeJP	NA	NA
+PJ066900	APPCEWW 	C43H53N9O10S	887.3636	NA	PeJP	NA	NA
+PJ066901	GPPDMWW 	C43H53N9O10S	887.3637	NA	PeJP	NA	NA
+PJ066902	GSSSTTYW 	C39H53N9O15	887.3661	NA	PeJP	NA	NA
+PJ066903	APQEEEW 	C39H53N9O15	887.3662	NA	PeJP	NA	NA
+PJ066904	SCDDHRR 	C32H53N15O13S	887.3668	NA	PeJP	NA	NA
+PJ066905	GGGGGSTCHR 	C32H53N15O13S	887.3669	NA	PeJP	NA	NA
+PJ066906	GTCKMYW 	C40H57N9O10S2	887.367	NA	PeJP	NA	NA
+PJ066907	GNNNHFW 	C40H49N13O11	887.3675	NA	PeJP	NA	NA
+PJ066908	GSSSKEMY 	C36H57N9O15S	887.3695	NA	PeJP	NA	NA
+PJ066909	VEEYYW 	C44H53N7O13	887.3702	NA	PeJP	NA	NA
+PJ066910	GQKMMMY 	C37H61N9O10S3	887.3704	NA	PeJP	NA	NA
+PJ066911	SCNNKHW 	C37H53N13O11S	887.3708	NA	PeJP	NA	NA
+PJ066912	GSDMHRW 	C37H53N13O11S	887.3709	NA	PeJP	NA	NA
+PJ066913	PPCMFFF 	C45H57N7O8S2	887.371	NA	PeJP	NA	NA
+PJ066914	SSHWWW 	C45H49N11O9	887.3715	NA	PeJP	NA	NA
+PJ066915	SSSSQQQH 	C33H53N13O16	887.3733	NA	PeJP	NA	NA
+PJ066916	PDDDDRR 	C33H53N13O16	887.3734	NA	PeJP	NA	NA
+PJ066917	SPVEMYY 	C41H57N7O13S	887.3735	NA	PeJP	NA	NA
+PJ066918	STCCRRY 	C34H57N13O11S2	887.3742	NA	PeJP	NA	NA
+PJ066919	GGGGGPPCMR 	C34H57N13O11S2	887.3743	NA	PeJP	NA	NA
+PJ066920	PCLMMFF 	C42H61N7O8S3	887.3744	NA	PeJP	NA	NA
+PJ066921	TQMHWW 	C42H53N11O9S	887.3749	NA	PeJP	NA	NA
+PJ066922	TTLEMMY 	C38H61N7O13S2	887.3769	NA	PeJP	NA	NA
+PJ066923	GPDEERW 	C38H53N11O14	887.3774	NA	PeJP	NA	NA
+PJ066924	VVMMMMF 	C39H65N7O8S4	887.3778	NA	PeJP	NA	NA
+PJ066925	SPCKMHW 	C39H57N11O9S2	887.3782	NA	PeJP	NA	NA
+PJ066926	GVQMMHW 	C39H57N11O9S2	887.3783	NA	PeJP	NA	NA
+PJ066927	GSQHHHW 	C39H49N15O10	887.3787	NA	PeJP	NA	NA
+PJ066928	GSSSTMRY 	C35H57N11O14S	887.3807	NA	PeJP	NA	NA
+PJ066929	GSPPDEMR 	C35H57N11O14S	887.3808	NA	PeJP	NA	NA
+PJ066930	AAPEEWW 	C43H53N9O12	887.3814	NA	PeJP	NA	NA
+PJ066931	GCKMMRY 	C36H61N11O9S3	887.3816	NA	PeJP	NA	NA
+PJ066932	AQQMHHH 	C36H53N15O10S	887.3821	NA	PeJP	NA	NA
+PJ066933	SSSSNNHR 	C32H53N15O15	887.3846	NA	PeJP	NA	NA
+PJ066934	SSSKMYW 	C40H57N9O12S	887.3848	NA	PeJP	NA	NA
+PJ066935	PPYYYW 	C48H53N7O10	887.3854	NA	PeJP	NA	NA
+PJ066936	GCEMHRR 	C33H57N15O10S2	887.3855	NA	PeJP	NA	NA
+PJ066937	TCHRWW 	C41H53N13O8S	887.3861	NA	PeJP	NA	NA
+PJ066938	SSTTTTQY 	C36H57N9O17	887.3872	NA	PeJP	NA	NA
+PJ066939	SSSSTKEY 	C36H57N9O17	887.3873	NA	PeJP	NA	NA
+PJ066940	STQKMMY 	C37H61N9O12S2	887.3881	NA	PeJP	NA	NA
+PJ066941	VLEEMMH 	C37H61N9O12S2	887.3882	NA	PeJP	NA	NA
+PJ066942	SSSEHRW 	C37H53N13O13	887.3886	NA	PeJP	NA	NA
+PJ066943	GGGGGGGGGGLW 	C37H53N13O13	887.3887	NA	PeJP	NA	NA
+PJ066944	LEMFYW 	C45H57N7O10S	887.3888	NA	PeJP	NA	NA
+PJ066945	QMMHRW 	C38H57N13O8S2	887.3895	NA	PeJP	NA	NA
+PJ066946	SPHHHHH 	C38H49N17O9	887.39	NA	PeJP	NA	NA
+PJ066947	ATLEEYY 	C41H57N7O15	887.3913	NA	PeJP	NA	NA
+PJ066948	STQEMHR 	C34H57N13O13S	887.392	NA	PeJP	NA	NA
+PJ066949	APLMMYY 	C42H61N7O10S2	887.3922	NA	PeJP	NA	NA
+PJ066950	PDERWW 	C42H53N11O11	887.3926	NA	PeJP	NA	NA
+PJ066951	GGGGAPTWW 	C42H53N11O11	887.3927	NA	PeJP	NA	NA
+PJ066952	GNMHHHR 	C35H53N17O9S	887.3933	NA	PeJP	NA	NA
+PJ066953	SLLMMMY 	C39H65N7O10S3	887.3955	NA	PeJP	NA	NA
+PJ066954	SPPDMRW 	C39H57N11O11S	887.396	NA	PeJP	NA	NA
+PJ066955	PVDWWW 	C47H53N9O9	887.3967	NA	PeJP	NA	NA
+PJ066956	SSSSTTRY 	C35H57N11O16	887.3985	NA	PeJP	NA	NA
+PJ066957	STCKMRY 	C36H61N11O11S2	887.3994	NA	PeJP	NA	NA
+PJ066958	GNNNQRW 	C36H53N15O12	887.3998	NA	PeJP	NA	NA
+PJ066959	GGGNNQRW 	C36H53N15O12	887.3999	NA	PeJP	NA	NA
+PJ066960	APPTMWW 	C44H57N9O9S	887.4	NA	PeJP	NA	NA
+PJ066961	CMHRRW 	C37H57N15O7S2	887.4007	NA	PeJP	NA	NA
+PJ066962	APKEEEW 	C40H57N9O14	887.4025	NA	PeJP	NA	NA
+PJ066963	SSDMHRR 	C33H57N15O12S	887.4032	NA	PeJP	NA	NA
+PJ066964	PPVQMMW 	C41H61N9O9S2	887.4034	NA	PeJP	NA	NA
+PJ066965	NEHFRW 	C41H53N13O10	887.4039	NA	PeJP	NA	NA
+PJ066966	GSTTTKMY 	C37H61N9O14S	887.4059	NA	PeJP	NA	NA
+PJ066967	SPPVYYY 	C45H57N7O12	887.4065	NA	PeJP	NA	NA
+PJ066968	GPLEFYY 	C45H57N7O12	887.4066	NA	PeJP	NA	NA
+PJ066969	GKKMMMY 	C38H65N9O9S3	887.4068	NA	PeJP	NA	NA
+PJ066970	GTTMHRW 	C38H57N13O10S	887.4072	NA	PeJP	NA	NA
+PJ066971	GGGPQMRW 	C38H57N13O10S	887.4073	NA	PeJP	NA	NA
+PJ066972	VNHFWW 	C46H53N11O8	887.4079	NA	PeJP	NA	NA
+PJ066973	SPDEERR 	C34H57N13O15	887.4097	NA	PeJP	NA	NA
+PJ066974	PTDDERR 	C34H57N13O15	887.4098	NA	PeJP	NA	NA
+PJ066975	GLLEMYY 	C42H61N7O12S	887.4099	NA	PeJP	NA	NA
+PJ066976	PPCEMRR 	C35H61N13O10S2	887.4106	NA	PeJP	NA	NA
+PJ066977	SSQHHHR 	C35H53N17O11	887.4111	NA	PeJP	NA	NA
+PJ066978	TKMHWW 	C43H57N11O8S	887.4113	NA	PeJP	NA	NA
+PJ066979	APTEERW 	C39H57N11O13	887.4138	NA	PeJP	NA	NA
+PJ066980	APPMMRW 	C40H61N11O8S2	887.4146	NA	PeJP	NA	NA
+PJ066981	GSKHHHW 	C40H53N15O9	887.4151	NA	PeJP	NA	NA
+PJ066982	PVQEEMR 	C36H61N11O13S	887.4171	NA	PeJP	NA	NA
+PJ066983	GGPLEEMR 	C36H61N11O13S	887.4172	NA	PeJP	NA	NA
+PJ066984	GPTLEWW 	C44H57N9O11	887.4178	NA	PeJP	NA	NA
+PJ066985	GPCNRRW 	C37H57N15O9S	887.4185	NA	PeJP	NA	NA
+PJ066986	GHFRWW 	C45H53N13O7	887.4191	NA	PeJP	NA	NA
+PJ066987	GNQEERR 	C33H57N15O14	887.421	NA	PeJP	NA	NA
+PJ066988	AVNKMYY 	C41H61N9O11S	887.4211	NA	PeJP	NA	NA
+PJ066989	PPTKEMW 	C41H61N9O11S	887.4212	NA	PeJP	NA	NA
+PJ066990	PLFYYW 	C49H57N7O9	887.4218	NA	PeJP	NA	NA
+PJ066991	GTMMHRR 	C34H61N15O9S2	887.4219	NA	PeJP	NA	NA
+PJ066992	SSTTTTKY 	C37H61N9O16	887.4236	NA	PeJP	NA	NA
+PJ066993	PKKEEEE 	C37H61N9O16	887.4237	NA	PeJP	NA	NA
+PJ066994	STKKMMY 	C38H65N9O11S2	887.4245	NA	PeJP	NA	NA
+PJ066995	STTTHRW 	C38H57N13O12	887.425	NA	PeJP	NA	NA
+PJ066996	LLMYYW 	C46H61N7O9S	887.4252	NA	PeJP	NA	NA
+PJ066997	KMMHRW 	C39H61N13O7S2	887.4259	NA	PeJP	NA	NA
+PJ066998	ALHHHHH 	C39H53N17O8	887.4263	NA	PeJP	NA	NA
+PJ066999	STLLEYY 	C42H61N7O14	887.4277	NA	PeJP	NA	NA
+PJ067000	APEEMRR 	C35H61N13O12S	887.4284	NA	PeJP	NA	NA
+PJ067001	ALLMMFY 	C43H65N7O9S2	887.4285	NA	PeJP	NA	NA
+PJ067002	VVVMMFY 	C43H65N7O9S2	887.4286	NA	PeJP	NA	NA
+PJ067003	GSPQKWW 	C43H57N11O10	887.429	NA	PeJP	NA	NA
+PJ067004	ACKHHHR 	C36H57N17O8S	887.4297	NA	PeJP	NA	NA
+PJ067005	GNDDRRR 	C32H57N17O13	887.4322	NA	PeJP	NA	NA
+PJ067006	GPLEMRW 	C40H61N11O10S	887.4324	NA	PeJP	NA	NA
+PJ067007	PTLWWW 	C48H57N9O8	887.433	NA	PeJP	NA	NA
+PJ067008	GPPVFWW 	C48H57N9O8	887.4331	NA	PeJP	NA	NA
+PJ067009	PTKEEER 	C36H61N11O15	887.4349	NA	PeJP	NA	NA
+PJ067010	PPKEMMR 	C37H65N11O10S2	887.4358	NA	PeJP	NA	NA
+PJ067011	NQERRW 	C37H57N15O11	887.4362	NA	PeJP	NA	NA
+PJ067012	GGGAERRW 	C37H57N15O11	887.4363	NA	PeJP	NA	NA
+PJ067013	GPVLMWW 	C45H61N9O8S	887.4364	NA	PeJP	NA	NA
+PJ067014	SPLKEEW 	C41H61N9O13	887.4389	NA	PeJP	NA	NA
+PJ067015	STTMHRR 	C34H61N15O11S	887.4396	NA	PeJP	NA	NA
+PJ067016	PPVKMMW 	C42H65N9O8S2	887.4398	NA	PeJP	NA	NA
+PJ067017	VNQRWW 	C42H57N13O9	887.4403	NA	PeJP	NA	NA
+PJ067018	AAPLKEEM 	C38H65N9O13S	887.4423	NA	PeJP	NA	NA
+PJ067019	GPLLYYY 	C46H61N7O11	887.4429	NA	PeJP	NA	NA
+PJ067020	LLLMMMH 	C39H69N9O8S3	887.4432	NA	PeJP	NA	NA
+PJ067021	GPNKMRW 	C39H61N13O9S	887.4436	NA	PeJP	NA	NA
+PJ067022	PPFRWW 	C47H57N11O7	887.4443	NA	PeJP	NA	NA
+PJ067023	GLEEERR 	C35H61N13O14	887.4461	NA	PeJP	NA	NA
+PJ067024	GGGGGSVLER 	C35H61N13O14	887.4462	NA	PeJP	NA	NA
+PJ067025	SVLLMYY 	C43H65N7O11S	887.4463	NA	PeJP	NA	NA
+PJ067026	PPTMMRR 	C36H65N13O9S2	887.447	NA	PeJP	NA	NA
+PJ067027	GPEHHRR 	C36H57N17O10	887.4475	NA	PeJP	NA	NA
+PJ067028	PLMRWW 	C44H61N11O7S	887.4477	NA	PeJP	NA	NA
+PJ067029	SPTLERW 	C40H61N11O12	887.4501	NA	PeJP	NA	NA
+PJ067030	GVLEERW 	C40H61N11O12	887.4502	NA	PeJP	NA	NA
+PJ067031	SPCNRRR 	C33H61N17O10S	887.4508	NA	PeJP	NA	NA
+PJ067032	GGSPCRRR 	C33H61N17O10S	887.4509	NA	PeJP	NA	NA
+PJ067033	GQRRWW 	C41H57N15O8	887.4515	NA	PeJP	NA	NA
+PJ067034	PVKEEMR 	C37H65N11O12S	887.4535	NA	PeJP	NA	NA
+PJ067035	GGGGGGGLLLM 	C37H65N11O12S	887.4536	NA	PeJP	NA	NA
+PJ067036	AALLEWW 	C45H61N9O10	887.4542	NA	PeJP	NA	NA
+PJ067037	AAMHFRR 	C38H61N15O8S	887.4549	NA	PeJP	NA	NA
+PJ067038	SNQQQKR 	C34H61N15O13	887.4573	NA	PeJP	NA	NA
+PJ067039	GNKEERR 	C34H61N15O13	887.4574	NA	PeJP	NA	NA
+PJ067040	PTLLQMW 	C42H65N9O10S	887.4575	NA	PeJP	NA	NA
+PJ067041	PVVKEMW 	C42H65N9O10S	887.4576	NA	PeJP	NA	NA
+PJ067042	LLFFYW 	C50H61N7O8	887.4582	NA	PeJP	NA	NA
+PJ067043	SPTTLLQE 	C38H65N9O15	887.46	NA	PeJP	NA	NA
+PJ067044	LLQKEEE 	C38H65N9O15	887.4601	NA	PeJP	NA	NA
+PJ067045	APPTLKMM 	C39H69N9O10S2	887.4609	NA	PeJP	NA	NA
+PJ067046	LEERRW 	C39H61N13O11	887.4614	NA	PeJP	NA	NA
+PJ067047	ALLMFFF 	C47H65N7O8S	887.4616	NA	PeJP	NA	NA
+PJ067048	PHHRRW 	C40H57N17O7	887.4627	NA	PeJP	NA	NA
+PJ067049	VVQQQMR 	C36H65N13O11S	887.4647	NA	PeJP	NA	NA
+PJ067050	SPLEMRR 	C36H65N13O11S	887.4648	NA	PeJP	NA	NA
+PJ067051	VLERWW 	C44H61N11O9	887.4654	NA	PeJP	NA	NA
+PJ067052	GSQERRR 	C33H61N17O12	887.4686	NA	PeJP	NA	NA
+PJ067053	SPVLMRW 	C41H65N11O9S	887.4688	NA	PeJP	NA	NA
+PJ067054	VVLWWW 	C49H61N9O7	887.4694	NA	PeJP	NA	NA
+PJ067055	VVKEEER 	C37H65N11O14	887.4713	NA	PeJP	NA	NA
+PJ067056	PLLQMMR 	C38H69N11O9S2	887.4722	NA	PeJP	NA	NA
+PJ067057	NKERRW 	C38H61N15O10	887.4726	NA	PeJP	NA	NA
+PJ067058	ALLKEEW 	C42H65N9O12	887.4753	NA	PeJP	NA	NA
+PJ067059	SPNKMRR 	C35H65N15O10S	887.476	NA	PeJP	NA	NA
+PJ067060	VNKRWW 	C43H61N13O8	887.4766	NA	PeJP	NA	NA
+PJ067061	GGVKRWW 	C43H61N13O8	887.4767	NA	PeJP	NA	NA
+PJ067062	GPTLLKEM 	C39H69N9O12S	887.4787	NA	PeJP	NA	NA
+PJ067063	GLLLFYY 	C47H65N7O10	887.4793	NA	PeJP	NA	NA
+PJ067064	APCKKRW 	C40H65N13O8S	887.48	NA	PeJP	NA	NA
+PJ067065	SVLEERR 	C36H65N13O13	887.4825	NA	PeJP	NA	NA
+PJ067066	PVVMMRR 	C37H69N13O8S2	887.4834	NA	PeJP	NA	NA
+PJ067067	SQRRRW 	C37H61N17O9	887.4839	NA	PeJP	NA	NA
+PJ067068	ATLLERW 	C41H65N11O11	887.4865	NA	PeJP	NA	NA
+PJ067069	GGALKKEW 	C41H65N11O11	887.4866	NA	PeJP	NA	NA
+PJ067070	AAQMRRR 	C34H65N17O9S	887.4872	NA	PeJP	NA	NA
+MJ096990	Tylosin; 2C,3C-Di-de-Me 	C44H73NO17	887.487849	NA	MeJP	NA	NA
+C02400	Demethylmacrocin	C44H73NO17	887.4879	NA	KEGG	NA	NA
+C02401	Dialkylarylamine	C6H5NR2	887.4879	NA	KEGG	NA	NA
+C02403	Fatty acid anion	CO2R	887.4879	NA	KEGG	NA	NA
+C02404	Fibrinopeptide B	CO2R	887.4879	NA	KEGG	NA	NA
+PJ067071	GKRRWW 	C42H61N15O7	887.4879	NA	PeJP	NA	NA
+PJ067072	VLLQEMR 	C38H69N11O11S	887.4899	NA	PeJP	NA	NA
+PJ067073	GTLLLWW 	C46H65N9O9	887.4906	NA	PeJP	NA	NA
+PJ067074	SVNKERR 	C35H65N15O12	887.4937	NA	PeJP	NA	NA
+PJ067075	GDKKERR 	C35H65N15O12	887.4938	NA	PeJP	NA	NA
+PJ067076	PTLLKMW 	C43H69N9O9S	887.4939	NA	PeJP	NA	NA
+PJ067077	LLKKEEE 	C39H69N9O14	887.4964	NA	PeJP	NA	NA
+PJ067078	GPVLLKMM 	C40H73N9O9S2	887.4973	NA	PeJP	NA	NA
+PJ067079	AAKKERW 	C40H65N13O10	887.4978	NA	PeJP	NA	NA
+PJ067080	NMRRRR 	C33H65N19O8S	887.4985	NA	PeJP	NA	NA
+PJ067081	VVVEMRR 	C37H69N13O10S	887.5011	NA	PeJP	NA	NA
+PJ067082	ALLEMRR 	C37H69N13O10S	887.5012	NA	PeJP	NA	NA
+PJ067083	LQKKWW 	C45H65N11O8	887.5018	NA	PeJP	NA	NA
+PJ067084	GSKERRR 	C34H65N17O11	887.505	NA	PeJP	NA	NA
+PJ067085	GLLLMRW 	C42H69N11O8S	887.5052	NA	PeJP	NA	NA
+PJ067086	TLLKEER 	C38H69N11O13	887.5077	NA	PeJP	NA	NA
+PJ067087	PLLKMMR 	C39H73N11O8S2	887.5085	NA	PeJP	NA	NA
+PJ067088	DKKRRW 	C39H65N15O9	887.509	NA	PeJP	NA	NA
+PJ067089	SLLLKEW 	C43H69N9O11	887.5117	NA	PeJP	NA	NA
+PJ067090	GLQKMRR 	C36H69N15O9S	887.5124	NA	PeJP	NA	NA
+PJ067091	AALLLKEM 	C40H73N9O11S	887.5151	NA	PeJP	NA	NA
+PJ067092	GSTRRRR 	C33H65N19O10	887.5162	NA	PeJP	NA	NA
+PJ067093	TTLLERR 	C37H69N13O12	887.5189	NA	PeJP	NA	NA
+PJ067094	SKRRRW 	C38H65N17O8	887.5202	NA	PeJP	NA	NA
+PJ067095	GLLHHRR 	C38H65N17O8	887.5203	NA	PeJP	NA	NA
+MJ096991	Patellazole A 	C49H77NO11S	887.521733	NA	MeJP	NA	NA
+PJ067096	STLLLRW 	C42H69N11O10	887.5229	NA	PeJP	NA	NA
+PJ067097	AAKMRRR 	C35H69N17O8S	887.5236	NA	PeJP	NA	NA
+PJ067098	VLLKEMR 	C39H73N11O10S	887.5263	NA	PeJP	NA	NA
+PJ067099	PVVLKFW 	C47H69N9O8	887.527	NA	PeJP	NA	NA
+PJ067100	ATKKERR 	C36H69N15O11	887.5301	NA	PeJP	NA	NA
+PJ067101	GGGGTKKKR 	C36H69N15O11	887.5302	NA	PeJP	NA	NA
+PJ067102	VVLLKMW 	C44H73N9O8S	887.5303	NA	PeJP	NA	NA
+PJ067103	ATTLLLKE 	C40H73N9O13	887.5328	NA	PeJP	NA	NA
+PJ067104	GTLKKRW 	C41H69N13O9	887.5342	NA	PeJP	NA	NA
+MJ096992	Acuminatum; Acuminatum A 	C45H73N7O11	887.536806	NA	MeJP	NA	NA
+MJ096993	Acuminatum; Acuminatum B 	C45H73N7O11	887.536806	NA	MeJP	NA	NA
+PJ067105	SLLLMRR 	C38H73N13O9S	887.5375	NA	PeJP	NA	NA
+PJ067106	LKKKWW 	C46H69N11O7	887.5382	NA	PeJP	NA	NA
+PJ067107	ATTKRRR 	C35H69N17O10	887.5414	NA	PeJP	NA	NA
+PJ067108	ATTTLLLR 	C39H73N11O12	887.544	NA	PeJP	NA	NA
+PJ067109	SSSLLLLR 	C39H73N11O12	887.5441	NA	PeJP	NA	NA
+PJ067110	GPKKFRR 	C40H69N15O8	887.5454	NA	PeJP	NA	NA
+PJ067111	AAPLLLKY 	C44H73N9O10	887.5481	NA	PeJP	NA	NA
+PJ067112	GLKKMRR 	C37H73N15O8S	887.5488	NA	PeJP	NA	NA
+PJ067113	GTLLLLKM 	C41H77N9O10S	887.5515	NA	PeJP	NA	NA
+PJ067114	SLKKKER 	C38H73N13O11	887.5553	NA	PeJP	NA	NA
+PJ067115	SVLKKKW 	C43H73N11O9	887.5593	NA	PeJP	NA	NA
+PJ067116	LLQKKKM 	C40H77N11O9S	887.5627	NA	PeJP	NA	NA
+PJ067117	STLKKRR 	C37H73N15O10	887.5665	NA	PeJP	NA	NA
+PJ067118	STTLLLLK 	C41H77N9O12	887.5692	NA	PeJP	NA	NA
+PJ067119	ALLLFRR 	C42H73N13O8	887.5705	NA	PeJP	NA	NA
+PJ067120	VVVLFRR 	C42H73N13O8	887.5706	NA	PeJP	NA	NA
+PJ067121	VVKKKMR 	C39H77N13O8S	887.5739	NA	PeJP	NA	NA
+PJ067122	GTTLLKKK 	C40H77N11O11	887.5804	NA	PeJP	NA	NA
+PJ067123	AALLLLKF 	C45H77N9O9	887.5845	NA	PeJP	NA	NA
+PJ067124	TQKKKKK 	C39H77N13O10	887.5917	NA	PeJP	NA	NA
+PJ067125	VLLLKFR 	C44H77N11O8	887.5957	NA	PeJP	NA	NA
+PJ067126	LLKKKKM 	C41H81N11O8S	887.5991	NA	PeJP	NA	NA
+PJ067127	TKKKKKK 	C40H81N13O9	887.6281	NA	PeJP	NA	NA
+HMDB04832	Galabiosylceramide (d18:1/9Z-18:1)	C48H89NO13	887.63336	http://www.hmdb.ca/metabolites/HMDB04832	HMDB	NA	NA
+HMDB04832	Galabiosylceramide (d18:1/9Z-18:1)	C48H89NO13	887.63336	HMDB04832	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04832	Galabiosylceramide (d18:1/9Z-18:1)	C48H89NO13	887.633362	NA	HMDB2010	NA	NA
+HMDB11592	Lactosyceramide (d18:1/18:1(9Z))	C48H89NO13	887.633362	NA	HMDB2010	NA	NA
+HMDB08583	PC(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H90NO8P	887.640381	NA	HMDB2010	NA	NA
+HMDB08614	PC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C52H90NO8P	887.640381	NA	HMDB2010	NA	NA
+HMDB08615	PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C52H90NO8P	887.640381	NA	HMDB2010	NA	NA
+HMDB08678	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	C52H90NO8P	887.640381	NA	HMDB2010	NA	NA
+HMDB08711	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))	C52H90NO8P	887.640381	NA	HMDB2010	NA	NA
+HMDB08743	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	C52H90NO8P	887.640381	NA	HMDB2010	NA	NA
+HMDB09508	PE(22:0/24:0)	C51H102NO8P	887.734314	NA	HMDB2010	NA	NA
+HMDB09732	PE(24:0/22:0)	C51H102NO8P	887.734314	NA	HMDB2010	NA	NA
+PJ067128	CCCCCCDH 	C28H44N10O11S6	888.1516	NA	PeJP	NA	NA
+PJ067129	CCCCNNDD 	C28H44N10O15S4	888.1871	NA	PeJP	NA	NA
+PJ067130	SCCCCCMH 	C29H48N10O10S6	888.188	NA	PeJP	NA	NA
+PJ067131	SCCCDDDE 	C29H44N8O18S3	888.1936	NA	PeJP	NA	NA
+PJ067132	PCCCCDDM 	C30H48N8O13S5	888.1945	NA	PeJP	NA	NA
+PJ067133	GSPCCCCCN 	C29H48N10O12S5	888.2057	NA	PeJP	NA	NA
+PJ067134	GCCDDDMM 	C30H48N8O15S4	888.2122	NA	PeJP	NA	NA
+PJ067135	ACCCCCHF 	C33H48N10O9S5	888.221	NA	PeJP	NA	NA
+PJ067136	SCCCNNDM 	C29H48N10O14S4	888.2235	NA	PeJP	NA	NA
+MJ096994	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid, 3C,3'C,3''C-Trideoxy, Me ester 	C48H40O17	888.226549	NA	MeJP	NA	NA
+PJ067137	GCCDDDDF 	C33H44N8O17S2	888.2266	NA	PeJP	NA	NA
+PJ067138	CCCDEMW 	C34H48N8O12S4	888.2275	NA	PeJP	NA	NA
+PJ067139	SSCCDDEM 	C30H48N8O17S3	888.23	NA	PeJP	NA	NA
+PJ067140	SPCCCDMM 	C31H52N8O12S5	888.2309	NA	PeJP	NA	NA
+PJ067141	GCCCDDHH 	C31H44N12O13S3	888.2313	NA	PeJP	NA	NA
+FL5FAAGS0134	Kaempferol 3-apioside-7-rhamnosyl-(1->6)-(2''-(E)-caffeoylglactoside)	C41H44O22	888.23242	474779-40-3	knapsack	NA	NA
+MJ096995	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside 	C41H45O22(+)	888.232423	NA	MeJP	NA	NA
+MJ096996	3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-(4-hydroxycinnamoyl)-(?6)-?-D-glucopyranoside](Z-), 5-O-?-D-glucopyranoside 	C41H45O22(+)	888.232423	NA	MeJP	NA	NA
+PJ067142	GSCCCCQW 	C33H48N10O11S4	888.2387	NA	PeJP	NA	NA
+PJ067143	GSSSCCCNE 	C29H48N10O16S3	888.2412	NA	PeJP	NA	NA
+PJ067144	GCCCNQMM 	C30H52N10O11S5	888.2421	NA	PeJP	NA	NA
+PJ067145	GSCDDDDY 	C33H44N8O19S	888.2444	NA	PeJP	NA	NA
+PJ067146	GPCCCDEY 	C34H48N8O14S3	888.2453	NA	PeJP	NA	NA
+MJ096997	3,4',5,7-Tetrahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan, 3'-(4-Hydroxy-3,5-dimethoxybenzoyl), 3-O-?-L-rhamnopyranoside 	C45H44O19	888.247679	NA	MeJP	NA	NA
+PJ067147	GSCDDMMM 	C31H52N8O14S4	888.2486	NA	PeJP	NA	NA
+PJ067148	APCCCMMM 	C32H56N8O9S6	888.2495	NA	PeJP	NA	NA
+PJ067149	SPCCCCHH 	C32H48N12O10S4	888.25	NA	PeJP	NA	NA
+PJ067150	GCCCCNMR 	C29H52N12O10S5	888.2533	NA	PeJP	NA	NA
+FL5FAAGL0056	Kaempferol 3-(2G-xylosylrutinoside)-7-glucoside	C38H48O24	888.25355	131559-51-8	knapsack	NA	NA
+FL5FACGS0089	Quercetin 7-[xylosyl-(1->2)-rhamnosyl-(1->2)-rhamnosyl]-(1->6)-glucoside	C38H48O24	888.25355	-	knapsack	NA	NA
+PJ067151	SSSCCCNW 	C33H48N10O13S3	888.2565	NA	PeJP	NA	NA
+PJ067152	SSSSSCCND 	C29H48N10O18S2	888.259	NA	PeJP	NA	NA
+PJ067153	SSCCNNMM 	C30H52N10O13S4	888.2598	NA	PeJP	NA	NA
+PJ067154	GGSSCCNMM 	C30H52N10O13S4	888.2599	NA	PeJP	NA	NA
+PJ067155	PCCCDYW 	C38H48N8O11S3	888.2605	NA	PeJP	NA	NA
+PJ067156	CNDDEMY 	C34H48N8O16S2	888.263	NA	PeJP	NA	NA
+PJ067157	SCCEMMW 	C35H52N8O11S4	888.2639	NA	PeJP	NA	NA
+PJ067158	SSSCDEMM 	C31H52N8O16S3	888.2664	NA	PeJP	NA	NA
+PJ067159	GCNNDDDH 	C31H44N12O17S	888.2669	NA	PeJP	NA	NA
+PJ067160	CNEMMMM 	C32H56N8O11S5	888.2672	NA	PeJP	NA	NA
+PJ067161	GGCEMMMM 	C32H56N8O11S5	888.2673	NA	PeJP	NA	NA
+PJ067162	GSCCDMHH 	C32H48N12O12S3	888.2677	NA	PeJP	NA	NA
+PJ067163	SSCCCCQR 	C29H52N12O12S4	888.2711	NA	PeJP	NA	NA
+PJ067164	CCCNNFW 	C37H48N10O10S3	888.2717	NA	PeJP	NA	NA
+PJ067165	GGGGCCCFW 	C37H48N10O10S3	888.2718	NA	PeJP	NA	NA
+PJ067166	GSDDDDEH 	C32H44N10O20	888.2734	NA	PeJP	NA	NA
+PJ067167	CCDDDRY 	C33H48N10O15S2	888.2742	NA	PeJP	NA	NA
+PJ067168	GGGGGSCCEY 	C33H48N10O15S2	888.2743	NA	PeJP	NA	NA
+PJ067169	GSCCCCKW 	C34H52N10O10S4	888.2751	NA	PeJP	NA	NA
+PJ067170	GSSSSCCQM 	C30H52N10O15S3	888.2776	NA	PeJP	NA	NA
+PJ067171	GCDDMYW 	C38H48N8O13S2	888.2783	NA	PeJP	NA	NA
+PJ067172	CCDMMMR 	C31H56N10O10S5	888.2785	NA	PeJP	NA	NA
+PJ067173	PCCCMFW 	C39H52N8O8S4	888.2791	NA	PeJP	NA	NA
+PJ067174	GSSDDDMY 	C34H48N8O18S	888.2808	NA	PeJP	NA	NA
+PJ067175	GSPCCEMY 	C35H52N8O13S3	888.2816	NA	PeJP	NA	NA
+PJ067176	GCMMMMW 	C36H56N8O8S5	888.2825	NA	PeJP	NA	NA
+PJ067177	TCCCHHW 	C36H48N12O9S3	888.283	NA	PeJP	NA	NA
+MJ096998	Catalpol; 6-O-[4-Hydroxy-Z-cinnamoyl-(?4)-2,3-di-O-benzoyl-?-L-rhamnopyranoside] 	C46H48O18	888.284064	NA	MeJP	NA	NA
+PJ067178	GSSDMMMM 	C32H56N8O13S4	888.285	NA	PeJP	NA	NA
+PJ067179	SSSCCEHH 	C32H48N12O14S2	888.2855	NA	PeJP	NA	NA
+PJ067180	CCQMMHH 	C33H52N12O9S4	888.2863	NA	PeJP	NA	NA
+PJ067181	GACCMMHH 	C33H52N12O9S4	888.2864	NA	PeJP	NA	NA
+PJ067182	SDDDDHW 	C36H44N10O17	888.2886	NA	PeJP	NA	NA
+PJ067183	GSSSSCCCR 	C29H52N12O14S3	888.2888	NA	PeJP	NA	NA
+PJ067184	SCCNNYW 	C37H48N10O12S2	888.2895	NA	PeJP	NA	NA
+PJ067185	ACCCCCKR 	C30H56N12O9S5	888.2897	NA	PeJP	NA	NA
+MJ096999	2-(3,4-Dihydroxyphenyl)ethanol; 1-O-[?-L-Rhamnopyranosyl-(1?3)-[3-hydroxy-4-O-?-D-xylopyranosyloxy-E-cinnamoyl-(?4)][?-D-xylopyranosyl-(?6)]-?-D-glucopyranoside] 	C39H52O23	888.289937	NA	MeJP	NA	NA
+MJ097000	Forsythoside B; 2'''-O-?-L-Arabinopyranosyl 	C39H52O23	888.289937	NA	MeJP	NA	NA
+PJ067186	SSSCNNDY 	C33H48N10O17S	888.292	NA	PeJP	NA	NA
+MJ097001	Decatromicin A; 4'',5''-Dichloro 	C45H55Cl3N2O10	888.292229	NA	MeJP	NA	NA
+PJ067187	CNNNMMY 	C34H52N10O12S3	888.2929	NA	PeJP	NA	NA
+PJ067188	CCEYWW 	C42H48N8O10S2	888.2935	NA	PeJP	NA	NA
+MJ097002	Perdeacyleuojaponin; 1-(3-Pyridinecarbonyl), 6-benzoyl, 8,9,14-tri-Ac 	C45H48N2O17	888.295298	NA	MeJP	NA	NA
+PJ067189	SSSSTTCCN 	C30H52N10O17S2	888.2953	NA	PeJP	NA	NA
+PJ067190	SSSSSSCNM 	C30H52N10O17S2	888.2954	NA	PeJP	NA	NA
+PJ067191	SSCDEYW 	C38H48N8O15S	888.296	NA	PeJP	NA	NA
+PJ067192	SSCCCQKM 	C31H56N10O12S4	888.2962	NA	PeJP	NA	NA
+PJ067193	GCCNNNQH 	C31H48N14O13S2	888.2967	NA	PeJP	NA	NA
+PJ067194	SPCCMYW 	C39H52N8O10S3	888.2969	NA	PeJP	NA	NA
+PJ067195	CCCMHHR 	C32H52N14O8S4	888.2976	NA	PeJP	NA	NA
+PJ067196	SSSSDDEY 	C34H48N8O20	888.2985	NA	PeJP	NA	NA
+PJ067197	SNDEMMY 	C35H52N8O15S2	888.2994	NA	PeJP	NA	NA
+PJ067198	CDYYYY 	C43H48N6O13S	888.3	NA	PeJP	NA	NA
+PJ067199	STCMMMW 	C36H56N8O10S4	888.3002	NA	PeJP	NA	NA
+PJ067200	PCNMMMY 	C36H56N8O10S4	888.3003	NA	PeJP	NA	NA
+PJ067201	CCNEHHF 	C36H48N12O11S2	888.3007	NA	PeJP	NA	NA
+PJ067202	SSSSEMMM 	C32H56N8O15S3	888.3028	NA	PeJP	NA	NA
+PJ067203	CDDDEHR 	C32H48N12O16S	888.3032	NA	PeJP	NA	NA
+PJ067204	GGGGGSDDMH 	C32H48N12O16S	888.3033	NA	PeJP	NA	NA
+PJ067205	SQMMMMM 	C33H60N8O10S5	888.3036	NA	PeJP	NA	NA
+PJ067206	CCCNQRY 	C33H52N12O11S3	888.3041	NA	PeJP	NA	NA
+FL5FCAGL0010	Rhamnocitrin 3-glucoside-4'-(2''-dihydrophaseoylglucoside)	C43H52O20	888.30519	138505-45-0	knapsack	NA	NA
+FL5FCAGL0011	Rhamnocitrin 3-glucoside-4'-(3''-dihydrophaseoylglucoside)	C43H52O20	888.30519	142449-94-3	knapsack	NA	NA
+MJ097003	Complanatin 	C43H52O20	888.305194	NA	MeJP	NA	NA
+PJ067207	CNNNDFY 	C37H48N10O14S	888.3072	NA	PeJP	NA	NA
+PJ067208	GDDEMHW 	C37H48N10O14S	888.3073	NA	PeJP	NA	NA
+PJ067209	SSCCCCKR 	C30H56N12O11S4	888.3075	NA	PeJP	NA	NA
+PJ067210	GSSDEEEH 	C33H48N10O19	888.3098	NA	PeJP	NA	NA
+PJ067211	SCDDMRY 	C34H52N10O14S2	888.3106	NA	PeJP	NA	NA
+PJ067212	NDDDHHH 	C34H44N14O15	888.3111	NA	PeJP	NA	NA
+PJ067213	GCDDFFW 	C42H48N8O12S	888.3113	NA	PeJP	NA	NA
+PJ067214	APPCCMMH 	C35H56N10O9S4	888.3115	NA	PeJP	NA	NA
+PJ067215	GSSSSSSSTC 	C30H52N10O19S	888.3131	NA	PeJP	NA	NA
+PJ067216	GNDEEYY 	C38H48N8O17	888.3138	NA	PeJP	NA	NA
+PJ067217	GSSSSCCKM 	C31H56N10O14S3	888.314	NA	PeJP	NA	NA
+PJ067218	SSCNNNNH 	C31H48N14O15S	888.3145	NA	PeJP	NA	NA
+PJ067219	GSDMMYW 	C39H52N8O12S2	888.3146	NA	PeJP	NA	NA
+PJ067220	GGPCDMFY 	C39H52N8O12S2	888.3147	NA	PeJP	NA	NA
+PJ067221	SCMMMMR 	C32H60N10O9S5	888.3149	NA	PeJP	NA	NA
+PJ067222	GPCCCNHR 	C32H52N14O10S3	888.3153	NA	PeJP	NA	NA
+PJ067223	GGGPCCCHR 	C32H52N14O10S3	888.3154	NA	PeJP	NA	NA
+PJ067224	GCCHHFW 	C40H48N12O8S2	888.316	NA	PeJP	NA	NA
+PJ067225	GSSSEEMY 	C35H52N8O17S	888.3171	NA	PeJP	NA	NA
+PJ067226	GPPDDEEM 	C35H52N8O17S	888.3172	NA	PeJP	NA	NA
+PJ067227	GQEMMMY 	C36H56N8O12S3	888.318	NA	PeJP	NA	NA
+PJ067228	SCNNEHW 	C36H48N12O13S	888.3185	NA	PeJP	NA	NA
+PJ067229	CMFYYY 	C44H52N6O10S2	888.3187	NA	PeJP	NA	NA
+PJ067230	SSSNNDEH 	C32H48N12O18	888.321	NA	PeJP	NA	NA
+PJ067231	GSTTMMMM 	C33H60N8O12S4	888.3214	NA	PeJP	NA	NA
+PJ067232	GSSCCNRY 	C33H52N12O13S2	888.3219	NA	PeJP	NA	NA
+PJ067233	DDMHWW 	C41H48N10O11S	888.3225	NA	PeJP	NA	NA
+PJ067234	CCKMMHH 	C34H56N12O8S4	888.3227	NA	PeJP	NA	NA
+PJ067235	SSDEEHW 	C37H48N10O16	888.325	NA	PeJP	NA	NA
+PJ067236	SPCEMHW 	C38H52N10O11S2	888.3259	NA	PeJP	NA	NA
+MJ097004	2-Hydroxy-2-(2-methylpropyl)butanedioic acid, O-?-D-Glucopyranoside, bis(4-O-?-D-glucopyranosyloxybenzyl) ester, 	C40H56O22	888.326323	NA	MeJP	NA	NA
+PJ067237	SSSSNNMY 	C34H52N10O16S	888.3284	NA	PeJP	NA	NA
+PJ067238	NDEYYW 	C42H48N8O14	888.329	NA	PeJP	NA	NA
+PJ067239	GCEMMRY 	C35H56N10O11S3	888.3292	NA	PeJP	NA	NA
+PJ067240	VCCDMRY 	C35H56N10O11S3	888.3293	NA	PeJP	NA	NA
+PJ067241	GSPCDHHH 	C35H48N14O12S	888.3297	NA	PeJP	NA	NA
+PJ067242	TCMYWW 	C43H52N8O9S2	888.3299	NA	PeJP	NA	NA
+PJ067243	SSSSSSSSSS 	C30H52N10O21	888.3309	NA	PeJP	NA	NA
+PJ067244	SSSSSTCCK 	C31H56N10O16S2	888.3317	NA	PeJP	NA	NA
+PJ067245	GNNNNNNE 	C31H48N14O17	888.3322	NA	PeJP	NA	NA
+PJ067246	GGGGGGGGGNNE 	C31H48N14O17	888.3323	NA	PeJP	NA	NA
+PJ067247	SSSEMYW 	C39H52N8O14S	888.3324	NA	PeJP	NA	NA
+PJ067248	SSCCCKKM 	C32H60N10O11S4	888.3326	NA	PeJP	NA	NA
+PJ067249	CNNDMHR 	C32H52N14O12S2	888.3331	NA	PeJP	NA	NA
+PJ067250	QMMMYW 	C40H56N8O9S3	888.3333	NA	PeJP	NA	NA
+PJ067251	GSCNHWW 	C40H48N12O10S	888.3337	NA	PeJP	NA	NA
+PJ067252	GGGSCHWW 	C40H48N12O10S	888.3338	NA	PeJP	NA	NA
+PJ067253	SSSSTEEY 	C35H52N8O19	888.3349	NA	PeJP	NA	NA
+PJ067254	STQEMMY 	C36H56N8O14S2	888.3358	NA	PeJP	NA	NA
+PJ067255	GSSSNDHW 	C36H48N12O15	888.3362	NA	PeJP	NA	NA
+PJ067256	GGGSSSDHW 	C36H48N12O15	888.3363	NA	PeJP	NA	NA
+PJ067257	SMYYYY 	C44H52N6O12S	888.3364	NA	PeJP	NA	NA
+PJ067258	AQMMMMF 	C37H60N8O9S4	888.3366	NA	PeJP	NA	NA
+PJ067259	GAAMMMMF 	C37H60N8O9S4	888.3367	NA	PeJP	NA	NA
+PJ067260	GNNMMHW 	C37H52N12O10S2	888.3371	NA	PeJP	NA	NA
+PJ067261	SSTTTMMM 	C33H60N8O14S3	888.3391	NA	PeJP	NA	NA
+PJ067262	SDDEMHR 	C33H52N12O15S	888.3396	NA	PeJP	NA	NA
+PJ067263	GGGGGGGGGPEM 	C33H52N12O15S	888.3397	NA	PeJP	NA	NA
+PJ067264	SKMMMMM 	C34H64N8O9S5	888.34	NA	PeJP	NA	NA
+PJ067265	GPNDDWW 	C41H48N10O13	888.3403	NA	PeJP	NA	NA
+PJ067266	CCCNKRY 	C34H56N12O10S3	888.3405	NA	PeJP	NA	NA
+PJ067267	CNNQHHH 	C34H48N16O11S	888.341	NA	PeJP	NA	NA
+PJ067268	PPCCHFW 	C42H52N10O8S2	888.3411	NA	PeJP	NA	NA
+MJ097005	Bussein G 	C44H56O19	888.341579	NA	MeJP	NA	NA
+PJ067269	GTEEMHW 	C38H52N10O13S	888.3436	NA	PeJP	NA	NA
+PJ067270	GGGSPPCEW 	C38H52N10O13S	888.3437	NA	PeJP	NA	NA
+PJ067271	GDYYWW 	C46H48N8O11	888.3443	NA	PeJP	NA	NA
+PJ067272	CMMRYW 	C39H56N10O8S3	888.3445	NA	PeJP	NA	NA
+PJ067273	GSSSSSSQY 	C34H52N10O18	888.3461	NA	PeJP	NA	NA
+PJ067274	PDDEEER 	C34H52N10O18	888.3462	NA	PeJP	NA	NA
+PJ067275	SSDMMRY 	C35H56N10O13S2	888.347	NA	PeJP	NA	NA
+PJ067276	NNNNNNW 	C35H48N14O14	888.3475	NA	PeJP	NA	NA
+PJ067277	GPTCYYW 	C43H52N8O11S	888.3477	NA	PeJP	NA	NA
+PJ067278	ACMMMFR 	C36H60N10O8S4	888.3479	NA	PeJP	NA	NA
+PJ067279	ACCNHRW 	C36H52N14O9S2	888.3483	NA	PeJP	NA	NA
+PJ067280	GCCQHRW 	C36H52N14O9S2	888.3484	NA	PeJP	NA	NA
+PJ067281	ASQEEYY 	C39H52N8O16	888.3501	NA	PeJP	NA	NA
+PJ067282	APEEEEW 	C39H52N8O16	888.3502	NA	PeJP	NA	NA
+PJ067283	GSSCNEHR 	C32H52N14O14S	888.3509	NA	PeJP	NA	NA
+PJ067284	GTTMMYW 	C40H56N8O11S2	888.351	NA	PeJP	NA	NA
+PJ067285	GNNDHFW 	C40H48N12O12	888.3515	NA	PeJP	NA	NA
+PJ067286	CFFFYY 	C48H52N6O9S	888.3517	NA	PeJP	NA	NA
+PJ067287	GSTTTEMY 	C36H56N8O16S	888.3535	NA	PeJP	NA	NA
+PJ067288	GKEMMMY 	C37H60N8O11S3	888.3544	NA	PeJP	NA	NA
+PJ067289	SSNQMHW 	C37H52N12O12S	888.3549	NA	PeJP	NA	NA
+PJ067290	GSPNDDER 	C33H52N12O17	888.3574	NA	PeJP	NA	NA
+8083	peptide derived from tuna cooking juice	PSHDAHPE	888.3579	inhibitor	Inhouse_peptide	NA	peptide
+PJ067291	GEEMMHR 	C34H56N12O12S2	888.3582	NA	PeJP	NA	NA
+PJ067292	VCDEMHR 	C34H56N12O12S2	888.3583	NA	PeJP	NA	NA
+PJ067293	GSSNNHHH 	C34H48N16O13	888.3587	NA	PeJP	NA	NA
+PJ067294	TEMHWW 	C42H52N10O10S	888.3589	NA	PeJP	NA	NA
+PJ067295	PCCHHHR 	C35H52N16O8S2	888.3596	NA	PeJP	NA	NA
+PJ067296	STTEEHW 	C38H52N10O15	888.3614	NA	PeJP	NA	NA
+PJ067297	GVEMMHW 	C39H56N10O10S2	888.3623	NA	PeJP	NA	NA
+PJ067298	GSEHHHW 	C39H48N14O11	888.3627	NA	PeJP	NA	NA
+PJ067299	GMFYWW 	C47H52N8O8S	888.3629	NA	PeJP	NA	NA
+PJ067300	SSSSCQKY 	C35H56N10O15S	888.3648	NA	PeJP	NA	NA
+PJ067301	TQEYYW 	C43H52N8O13	888.3654	NA	PeJP	NA	NA
+PJ067302	GTMMMRY 	C36H60N10O10S3	888.3656	NA	PeJP	NA	NA
+PJ067303	GGPPPCCKM 	C36H60N10O10S3	888.3657	NA	PeJP	NA	NA
+PJ067304	SSCNHRW 	C36H52N14O11S	888.3661	NA	PeJP	NA	NA
+PJ067305	QMMFFW 	C44H56N8O8S2	888.3663	NA	PeJP	NA	NA
+PJ067306	SSSSNDHR 	C32H52N14O16	888.3686	NA	PeJP	NA	NA
+PJ067307	GGGGGGGGGGGDK 	C32H52N14O16	888.3687	NA	PeJP	NA	NA
+PJ067308	STTTMYW 	C40H56N8O13S	888.3688	NA	PeJP	NA	NA
+PJ067309	AFYYYY 	C48H52N6O11	888.3694	NA	PeJP	NA	NA
+PJ067310	SNNMMHR 	C33H56N14O11S2	888.3695	NA	PeJP	NA	NA
+PJ067311	KMMMYW 	C41H60N8O8S3	888.3697	NA	PeJP	NA	NA
+PJ067312	GNMHHFF 	C41H52N12O9S	888.3701	NA	PeJP	NA	NA
+PJ067313	SSTTTTEY 	C36H56N8O18	888.3713	NA	PeJP	NA	NA
+PJ067314	STKEMMY 	C37H60N8O13S2	888.3722	NA	PeJP	NA	NA
+PJ067315	SPNDDRW 	C37H52N12O14	888.3726	NA	PeJP	NA	NA
+PJ067316	GGGGGAAQEW 	C37H52N12O14	888.3727	NA	PeJP	NA	NA
+PJ067317	AKMMMMF 	C38H64N8O8S4	888.373	NA	PeJP	NA	NA
+PJ067318	EMMHRW 	C38H56N12O9S2	888.3735	NA	PeJP	NA	NA
+PJ067319	STEEMHR 	C34H56N12O14S	888.376	NA	PeJP	NA	NA
+PJ067320	ASPNEWW 	C42H52N10O12	888.3766	NA	PeJP	NA	NA
+PJ067321	GSPQEWW 	C42H52N10O12	888.3767	NA	PeJP	NA	NA
+PJ067322	SPMMMHR 	C35H60N12O9S3	888.3769	NA	PeJP	NA	NA
+PJ067323	ACEHHHR 	C35H52N16O10S	888.3773	NA	PeJP	NA	NA
+PJ067324	GDMHHHR 	C35H52N16O10S	888.3774	NA	PeJP	NA	NA
+PJ067325	VMMHWW 	C43H56N10O7S2	888.3775	NA	PeJP	NA	NA
+PJ067326	SHHHWW 	C43H48N14O8	888.378	NA	PeJP	NA	NA
+PJ067327	GSNNNNNR 	C31H52N16O15	888.3798	NA	PeJP	NA	NA
+PJ067328	GGGGGSNNNR 	C31H52N16O15	888.3799	NA	PeJP	NA	NA
+PJ067329	SSLEMHW 	C39H56N10O12S	888.38	NA	PeJP	NA	NA
+PJ067330	ATYYWW 	C47H52N8O10	888.3807	NA	PeJP	NA	NA
+PJ067331	AAMHHHW 	C40H52N14O8S	888.3814	NA	PeJP	NA	NA
+PJ067332	GSSSSSSKY 	C35H56N10O17	888.3825	NA	PeJP	NA	NA
+PJ067333	GGGGAALEEE 	C35H56N10O17	888.3826	NA	PeJP	NA	NA
+PJ067334	STTMMRY 	C36H60N10O12S2	888.3834	NA	PeJP	NA	NA
+PJ067335	GNNNERW 	C36H52N14O13	888.3839	NA	PeJP	NA	NA
+PJ067336	VQMYYW 	C44H56N8O10S	888.384	NA	PeJP	NA	NA
+PJ067337	PPPDMFW 	C44H56N8O10S	888.3841	NA	PeJP	NA	NA
+PJ067338	GCCKHRW 	C37H56N14O8S2	888.3847	NA	PeJP	NA	NA
+PJ067339	GQHHHHH 	C37H48N18O9	888.3852	NA	PeJP	NA	NA
+PJ067340	GTKEEYY 	C40H56N8O15	888.3865	NA	PeJP	NA	NA
+PJ067341	SPLEEEW 	C40H56N8O15	888.3866	NA	PeJP	NA	NA
+PJ067342	PCNDERR 	C33H56N14O13S	888.3872	NA	PeJP	NA	NA
+PJ067343	GGPCDERR 	C33H56N14O13S	888.3873	NA	PeJP	NA	NA
+PJ067344	PPVEMMW 	C41H60N8O10S2	888.3874	NA	PeJP	NA	NA
+PJ067345	NQQQWW 	C41H52N12O11	888.3879	NA	PeJP	NA	NA
+PJ067346	SSSTTLMY 	C37H60N8O15S	888.3899	NA	PeJP	NA	NA
+PJ067347	SVKMMMY 	C38H64N8O10S3	888.3908	NA	PeJP	NA	NA
+PJ067348	SSNKMHW 	C38H56N12O11S	888.3912	NA	PeJP	NA	NA
+PJ067349	GPNEMRW 	C38H56N12O11S	888.3913	NA	PeJP	NA	NA
+PJ067350	SPQWWW 	C46H52N10O9	888.3919	NA	PeJP	NA	NA
+PJ067351	SSSSQKEH 	C34H56N12O16	888.3937	NA	PeJP	NA	NA
+PJ067352	AQQEEER 	C34H56N12O16	888.3938	NA	PeJP	NA	NA
+PJ067353	SVEMMHR 	C35H60N12O11S2	888.3946	NA	PeJP	NA	NA
+PJ067354	SSEHHHR 	C35H52N16O12	888.3951	NA	PeJP	NA	NA
+PJ067355	AAPQMWW 	C43H56N10O9S	888.3953	NA	PeJP	NA	NA
+PJ067356	GFFFWW 	C51H52N8O7	888.3959	NA	PeJP	NA	NA
+PJ067357	SPNKEEW 	C39H56N10O14	888.3978	NA	PeJP	NA	NA
+PJ067358	GSSSCHRR 	C32H56N16O12S	888.3985	NA	PeJP	NA	NA
+PJ067359	ATLMMHW 	C40H60N10O9S2	888.3986	NA	PeJP	NA	NA
+PJ067360	SVVMMHW 	C40H60N10O9S2	888.3987	NA	PeJP	NA	NA
+MJ097006	Premnaodoroside D; 8,10/8',10'-Didehydro 	C42H64O20	888.399094	NA	MeJP	NA	NA
+MJ097007	Strophanthidinic acid; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-D-ribo-hexopyranoside] 	C42H64O20	888.399094	NA	MeJP	NA	NA
+PJ067361	NNNRWW 	C40H52N14O10	888.3991	NA	PeJP	NA	NA
+PJ067362	SSSSCKKY 	C36H60N10O14S	888.4011	NA	PeJP	NA	NA
+PJ067363	PVEEEMR 	C36H60N10O14S	888.4012	NA	PeJP	NA	NA
+PJ067364	TKEYYW 	C44H56N8O12	888.4018	NA	PeJP	NA	NA
+PJ067365	VLQMMMH 	C37H64N10O9S3	888.402	NA	PeJP	NA	NA
+PJ067366	GPCDRRW 	C37H56N14O10S	888.4025	NA	PeJP	NA	NA
+PJ067367	KMMFFW 	C45H60N8O7S2	888.4027	NA	PeJP	NA	NA
+PJ067368	GNEEERR 	C33H56N14O15	888.405	NA	PeJP	NA	NA
+PJ067369	PVVEEMW 	C41H60N8O12S	888.4052	NA	PeJP	NA	NA
+PJ067370	GPPTCCRR 	C34H60N14O10S2	888.4059	NA	PeJP	NA	NA
+PJ067371	PNMRWW 	C42H56N12O8S	888.4065	NA	PeJP	NA	NA
+PJ067372	TTTTTTTY 	C37H60N8O17	888.4077	NA	PeJP	NA	NA
+PJ067373	SPPCLLEM 	C38H64N8O12S2	888.4085	NA	PeJP	NA	NA
+PJ067374	APPTLEMM 	C38H64N8O12S2	888.4086	NA	PeJP	NA	NA
+PJ067375	AAQEERW 	C38H56N12O13	888.409	NA	PeJP	NA	NA
+PJ067376	GGGGGGGGGPLF 	C38H56N12O13	888.4091	NA	PeJP	NA	NA
+PJ067377	PPCCKRW 	C39H60N12O8S2	888.4099	NA	PeJP	NA	NA
+PJ067378	PPQHHHH 	C39H52N16O9	888.4104	NA	PeJP	NA	NA
+PJ067379	PNDKEMR 	C35H60N12O13S	888.4124	NA	PeJP	NA	NA
+PJ067380	GSPKEWW 	C43H56N10O11	888.413	NA	PeJP	NA	NA
+PJ067381	GGAALEWW 	C43H56N10O11	888.4131	NA	PeJP	NA	NA
+PJ067382	ALMMMHR 	C36H64N12O8S3	888.4133	NA	PeJP	NA	NA
+PJ067383	GCNHFRR 	C36H56N16O9S	888.4137	NA	PeJP	NA	NA
+MJ097008	Bryostatin 3 	C46H64O17	888.41435	NA	MeJP	NA	NA
+PJ067384	GDDDRRR 	C32H56N16O14	888.4162	NA	PeJP	NA	NA
+PJ067385	GGGGGGSERR 	C32H56N16O14	888.4163	NA	PeJP	NA	NA
+PJ067386	TTTLMHW 	C40H60N10O11S	888.4164	NA	PeJP	NA	NA
+PJ067387	VQFFYW 	C48H56N8O9	888.4171	NA	PeJP	NA	NA
+PJ067388	VVEEEER 	C36H60N10O16	888.4189	NA	PeJP	NA	NA
+PJ067389	TLKEMMH 	C37H64N10O11S2	888.4198	NA	PeJP	NA	NA
+PJ067390	DQERRW 	C37H56N14O12	888.4202	NA	PeJP	NA	NA
+PJ067391	NEERRW 	C37H56N14O12	888.4203	NA	PeJP	NA	NA
+PJ067392	VKMYYW 	C45H60N8O9S	888.4204	NA	PeJP	NA	NA
+PJ067393	GKHHHHH 	C38H52N18O8	888.4216	NA	PeJP	NA	NA
+PJ067394	ALLEEEW 	C41H60N8O14	888.4229	NA	PeJP	NA	NA
+PJ067395	SPNEMRR 	C34H60N14O12S	888.4236	NA	PeJP	NA	NA
+PJ067396	GGGGGGGALMR 	C34H60N14O12S	888.4237	NA	PeJP	NA	NA
+PJ067397	GLKMMFY 	C42H64N8O9S2	888.4238	NA	PeJP	NA	NA
+PJ067398	VNERWW 	C42H56N12O10	888.4243	NA	PeJP	NA	NA
+PJ067399	GPTLLEEM 	C38H64N8O14S	888.4263	NA	PeJP	NA	NA
+PJ067400	GPPLLMMM 	C39H68N8O9S3	888.4272	NA	PeJP	NA	NA
+PJ067401	APTQMRW 	C39H60N12O10S	888.4276	NA	PeJP	NA	NA
+PJ067402	GPDKMRW 	C39H60N12O10S	888.4277	NA	PeJP	NA	NA
+PJ067403	SPKWWW 	C47H56N10O8	888.4283	NA	PeJP	NA	NA
+PJ067404	AQKEEER 	C35H60N12O15	888.4301	NA	PeJP	NA	NA
+PJ067405	GAAKEEER 	C35H60N12O15	888.4302	NA	PeJP	NA	NA
+PJ067406	TTLMMHR 	C36H64N12O10S2	888.431	NA	PeJP	NA	NA
+PJ067407	GSNNRRW 	C36H56N16O11	888.4315	NA	PeJP	NA	NA
+PJ067408	AAPKMWW 	C44H60N10O8S	888.4317	NA	PeJP	NA	NA
+PJ067409	GLQKEEW 	C40H60N10O13	888.4342	NA	PeJP	NA	NA
+PJ067410	VCNNQRR 	C33H60N16O11S	888.4348	NA	PeJP	NA	NA
+PJ067411	SPCDRRR 	C33H60N16O11S	888.4349	NA	PeJP	NA	NA
+PJ067412	PPCKKMW 	C41H64N10O8S2	888.435	NA	PeJP	NA	NA
+PJ067413	GERRWW 	C41H56N14O9	888.4355	NA	PeJP	NA	NA
+3796	NA	WWPKHH~	888.436	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ067414	SSTTLLMH 	C37H64N10O13S	888.4375	NA	PeJP	NA	NA
+PJ067415	GAPKKEEM 	C37H64N10O13S	888.4376	NA	PeJP	NA	NA
+PJ067416	PPVVEYW 	C45H60N8O11	888.4382	NA	PeJP	NA	NA
+PJ067417	VLKMMMH 	C38H68N10O8S3	888.4384	NA	PeJP	NA	NA
+PJ067418	GSPMRRW 	C38H60N14O9S	888.4389	NA	PeJP	NA	NA
+PJ067419	GVRWWW 	C46H56N12O7	888.4395	NA	PeJP	NA	NA
+PJ067420	GDKEERR 	C34H60N14O14	888.4414	NA	PeJP	NA	NA
+PJ067421	ATLKMYY 	C42H64N8O11S	888.4415	NA	PeJP	NA	NA
+PJ067422	PTLLEMW 	C42H64N8O11S	888.4416	NA	PeJP	NA	NA
+PJ067423	SCKKMHR 	C35H64N14O9S2	888.4422	NA	PeJP	NA	NA
+PJ067424	APQMMRR 	C35H64N14O9S2	888.4423	NA	PeJP	NA	NA
+PJ067425	LMHFRW 	C43H60N12O7S	888.4429	NA	PeJP	NA	NA
+3281	NA	CRRETAWAC	888.444	celiac toxic	Inhouse_peptide	NA	peptide
+PJ067426	LLKEEEE 	C38H64N8O16	888.4441	NA	PeJP	NA	NA
+PJ067427	GPVLLEMM 	C39H68N8O11S2	888.4449	NA	PeJP	NA	NA
+PJ067428	AAKEERW 	C39H60N12O12	888.4454	NA	PeJP	NA	NA
+PJ067429	GCNQRRR 	C32H60N18O10S	888.4461	NA	PeJP	NA	NA
+PJ067430	GVHHHFR 	C40H56N16O8	888.4468	NA	PeJP	NA	NA
+PJ067431	PTQKEMR 	C36H64N12O12S	888.4488	NA	PeJP	NA	NA
+PJ067432	LQKEWW 	C44H60N10O10	888.4494	NA	PeJP	NA	NA
+MJ097009	Pectenotoxin 1; 43-Carboxylic acid 	C47H68O16	888.450736	NA	MeJP	NA	NA
+MJ097010	Pectenotoxin 1; 7-Epimer, 43-carboxylic acid 	C47H68O16	888.450736	NA	MeJP	NA	NA
+PJ067433	RRWWW 	C45H56N14O6	888.4508	NA	PeJP	NA	NA
+PJ067434	GSEERRR 	C33H60N16O13	888.4526	NA	PeJP	NA	NA
+PJ067435	APKKEMW 	C41H64N10O10S	888.4528	NA	PeJP	NA	NA
+PJ067436	VKFFYW 	C49H60N8O8	888.4534	NA	PeJP	NA	NA
+PJ067437	PPPVFFW 	C49H60N8O8	888.4535	NA	PeJP	NA	NA
+PJ067438	TLLEEER 	C37H64N10O15	888.4553	NA	PeJP	NA	NA
+PJ067439	PLLEMMR 	C38H68N10O10S2	888.4562	NA	PeJP	NA	NA
+PJ067440	DKERRW 	C38H60N14O11	888.4566	NA	PeJP	NA	NA
+MJ097011	11-Hydroxyhexadecanoic acid, O-[?-L-Rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C40H72O21	888.456609	NA	MeJP	NA	NA
+MJ097012	3,11-Dihydroxyhexadecanoic acid; 11-O-D-Fucopyranosyl-L-rhamnopyranosyl(D-glucopyranosyl)-L-rhamnopyranoside 	C40H72O21	888.456609	NA	MeJP	NA	NA
+PJ067441	GGGGATKRW 	C38H60N14O11	888.4567	NA	PeJP	NA	NA
+PJ067442	PPVLMFW 	C46H64N8O8S	888.4568	NA	PeJP	NA	NA
+PJ067443	HHHFRR 	C39H56N18O7	888.458	NA	PeJP	NA	NA
+PJ067444	SLLLEEW 	C42H64N8O13	888.4593	NA	PeJP	NA	NA
+PJ067445	GLQEMRR 	C35H64N14O11S	888.46	NA	PeJP	NA	NA
+2615	synthetic peptide inhibitors of (PEP)	VYPFPGPI	888.46	NA	Inhouse_peptide	NA	peptide
+7492	ACE inhibitor (from bovine b-CN)	VYPFPGPI	888.46	antioxidative	Inhouse_peptide	NA	peptide
+PJ067446	PVLLMMW 	C43H68N8O8S2	888.4602	NA	PeJP	NA	NA
+PJ067447	VDKRWW 	C43H60N12O9	888.4607	NA	PeJP	NA	NA
+PJ067448	AALLLEEM 	C39H68N8O13S	888.4627	NA	PeJP	NA	NA
+PJ067449	SSNNRRR 	C32H60N18O12	888.4638	NA	PeJP	NA	NA
+PJ067450	GGSSNRRR 	C32H60N18O12	888.4639	NA	PeJP	NA	NA
+PJ067451	APTKMRW 	C40H64N12O9S	888.464	NA	PeJP	NA	NA
+PJ067452	ALKWWW 	C48H60N10O7	888.4647	NA	PeJP	NA	NA
+PJ067453	AKKEEER 	C36H64N12O14	888.4665	NA	PeJP	NA	NA
+PJ067454	GGGADKKKE 	C36H64N12O14	888.4666	NA	PeJP	NA	NA
+PJ067455	PVQKMMR 	C37H68N12O9S2	888.4674	NA	PeJP	NA	NA
+PJ067456	SERRRW 	C37H60N16O10	888.4679	NA	PeJP	NA	NA
+PJ067457	PTTKKEW 	C41H64N10O12	888.4705	NA	PeJP	NA	NA
+PJ067458	GLKKEEW 	C41H64N10O12	888.4706	NA	PeJP	NA	NA
+PJ067459	SSPMRRR 	C34H64N16O10S	888.4712	NA	PeJP	NA	NA
+PJ067460	AAEMRRR 	C34H64N16O10S	888.4713	NA	PeJP	NA	NA
+MJ097013	Furost-5-ene-1,3,22,26-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside 	C44H72O18	888.471865	NA	MeJP	NA	NA
+MJ097014	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O18	888.471865	NA	MeJP	NA	NA
+MJ097015	Spirostane-2,3-diol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C44H72O18	888.471865	NA	MeJP	NA	NA
+MJ097016	Spirostane-3,17,21-triol, 3-O-[?-L-Arabinopyranosyl-(1?3)[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C44H72O18	888.471865	NA	MeJP	NA	NA
+MJ097017	Spirostane-3,24-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-galactopyranoside] 	C44H72O18	888.471865	NA	MeJP	NA	NA
+MJ097018	Spirostane-3,6-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H72O18	888.471865	NA	MeJP	NA	NA
+PJ067461	SVRRWW 	C42H60N14O8	888.4719	NA	PeJP	NA	NA
+PJ067462	VLLEEMR 	C38H68N10O12S	888.4739	NA	PeJP	NA	NA
+MJ097019	Nostophycin 	C46H64N8O10	888.47454	NA	MeJP	NA	NA
+PJ067463	PPTLLYW 	C46H64N8O10	888.4746	NA	PeJP	NA	NA
+PJ067464	LQMRRW 	C39H64N14O8S	888.4753	NA	PeJP	NA	NA
+5434	human lactoferricin (LFh 18-31)	TKCFQWQRNMRKVR	888.47615	MH2+	Inhouse_peptide	NA	peptide
+HMDB09940	PIP(16:1(9Z)/18:0)	C41H78O16P2	888.476501	NA	HMDB2010	NA	NA
+PJ067465	ATKEERR 	C35H64N14O13	888.4778	NA	PeJP	NA	NA
+PJ067466	CLLLLEW 	C43H68N8O10S	888.4779	NA	PeJP	NA	NA
+PJ067467	VVLLEMW 	C43H68N8O10S	888.478	NA	PeJP	NA	NA
+PJ067468	APKMMRR 	C36H68N14O8S2	888.4786	NA	PeJP	NA	NA
+PJ067469	GVQHHRR 	C36H60N18O9	888.4791	NA	PeJP	NA	NA
+PJ067470	ATTLLLEE 	C39H68N8O15	888.4804	NA	PeJP	NA	NA
+PJ067471	ATTIILEE 	C39H68N8O15	888.4805	NA	PeJP	NA	NA
+PJ067472	APTLLLMM 	C40H72N8O10S2	888.4813	NA	PeJP	NA	NA
+PJ067473	GTLKERW 	C40H64N12O11	888.4818	NA	PeJP	NA	NA
+PJ067474	DMRRRR 	C33H64N18O9S	888.4825	NA	PeJP	NA	NA
+PJ067475	PTKKEMR 	C37H68N12O11S	888.4852	NA	PeJP	NA	NA
+PJ067476	LKKEWW 	C45H64N10O9	888.4858	NA	PeJP	NA	NA
+PJ067477	CLRRRW 	C38H64N16O7S	888.4865	NA	PeJP	NA	NA
+MJ097020	12-Oleanene-3,16,21,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 16-benzoyl 	C48H72O15	888.487121	NA	MeJP	NA	NA
+MJ097021	Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, 5-ketone 	C48H72O15	888.487121	NA	MeJP	NA	NA
+PJ067478	ATTERRR 	C34H64N16O12	888.489	NA	PeJP	NA	NA
+PJ067479	SPLKKMW 	C42H68N10O9S	888.4892	NA	PeJP	NA	NA
+PJ067480	QHHRRR 	C35H60N20O8	888.4903	NA	PeJP	NA	NA
+PJ067481	GAHHRRR 	C35H60N20O8	888.4904	NA	PeJP	NA	NA
+PJ067482	VKKKEEE 	C38H68N10O14	888.4917	NA	PeJP	NA	NA
+PJ067483	AAPLKKMM 	C39H72N10O9S2	888.4926	NA	PeJP	NA	NA
+PJ067484	GTTLRRW 	C39H64N14O10	888.493	NA	PeJP	NA	NA
+MJ097022	N-Deacyltunicamycin; N4''-(16-Methyloctadecanoyl) 	C42H72N4O16	888.494332	NA	MeJP	NA	NA
+PJ067485	AAPLLLEY 	C43H68N8O12	888.4957	NA	PeJP	NA	NA
+PJ067486	GLKEMRR 	C36H68N14O10S	888.4964	NA	PeJP	NA	NA
+PJ067487	TLKRWW 	C44H64N12O8	888.497	NA	PeJP	NA	NA
+PJ067488	GGKKKWW 	C44H64N12O8	888.4971	NA	PeJP	NA	NA
+PJ067489	GTLLLLEM 	C40H72N8O12S	888.4991	NA	PeJP	NA	NA
+PJ067490	GVLKMRW 	C41H68N12O8S	888.5004	NA	PeJP	NA	NA
+PJ067491	SLKKEER 	C37H68N12O13	888.5029	NA	PeJP	NA	NA
+PJ067492	PVKKMMR 	C38H72N12O8S2	888.5038	NA	PeJP	NA	NA
+MetaCyc04247	dihydrogeranylgeranyl-chlorophyll a [dihydrogeranylgeranyl-chl a;dihydroGG-chl a;dihydroGG-chlorophyll a;]	C55H68N4O5MG1	888.504013	NA	metacyc	NA	NA
+PJ067493	AAPRRRY 	C38H64N16O9	888.5043	NA	PeJP	NA	NA
+PJ067494	SVLKKEW 	C42H68N10O11	888.5069	NA	PeJP	NA	NA
+PJ067495	GGAAPLLKY 	C42H68N10O11	888.507	NA	PeJP	NA	NA
+PJ067496	GTLMRRR 	C35H68N16O9S	888.5076	NA	PeJP	NA	NA
+MJ097023	Cholest-5-ene-1,3,16,22-tetrol, 1,3-Di-O-?-L-rhamnopyranoside, 16-O-?-D-glucopyranoside 	C45H76O17	888.508251	NA	MeJP	NA	NA
+MJ097024	Cholest-5-ene-1,3,16,22-tetrol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 16-O-?-L-rhamnopyranoside 	C45H76O17	888.508251	NA	MeJP	NA	NA
+MJ097025	Cholest-5-ene-1,3,16,22-tetrol, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside], 1-O-?-L-rhamnopyranoside 	C45H76O17	888.508251	NA	MeJP	NA	NA
+MJ097026	Cholest-5-ene-3,16,22-triol, 16-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-galactopyranoside], 3-O-?-D-glucopyranoside 	C45H76O17	888.508251	NA	MeJP	NA	NA
+MJ097027	Furostane-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H76O17	888.508251	NA	MeJP	NA	NA
+MJ097028	Semduramicin; 30-Hydroxy 	C45H76O17	888.508251	NA	MeJP	NA	NA
+PJ067497	PKFRRW 	C43H64N14O7	888.5083	NA	PeJP	NA	NA
+PJ067498	LLQKKEM 	C39H72N10O11S	888.5103	NA	PeJP	NA	NA
+PJ067499	PVVLLYW 	C47H68N8O9	888.511	NA	PeJP	NA	NA
+PJ067500	LKMRRW 	C40H68N14O7S	888.5117	NA	PeJP	NA	NA
+PJ067501	VTTKERR 	C36H68N14O12	888.5141	NA	PeJP	NA	NA
+PJ067502	STLKERR 	C36H68N14O12	888.5142	NA	PeJP	NA	NA
+PJ067503	TLLLLMW 	C44H72N8O9S	888.5143	NA	PeJP	NA	NA
+PJ067504	APPHRRR 	C37H64N18O8	888.5155	NA	PeJP	NA	NA
+PJ067505	STTLLLLE 	C40H72N8O14	888.5168	NA	PeJP	NA	NA
+PJ067506	GVLLLLMM 	C41H76N8O9S2	888.5177	NA	PeJP	NA	NA
+PJ067507	SSLLKRW 	C41H68N12O10	888.5182	NA	PeJP	NA	NA
+PJ067508	TLLQKMR 	C38H72N12O10S	888.5215	NA	PeJP	NA	NA
+PJ067509	VVKKEMR 	C38H72N12O10S	888.5216	NA	PeJP	NA	NA
+PJ067510	APLKKFW 	C46H68N10O8	888.5222	NA	PeJP	NA	NA
+PJ067511	STTLRRR 	C35H68N16O11	888.5254	NA	PeJP	NA	NA
+PJ067512	ALLKKMW 	C43H72N10O8S	888.5256	NA	PeJP	NA	NA
+PJ067513	KHHRRR 	C36H64N20O7	888.5267	NA	PeJP	NA	NA
+PJ067514	GTTLLKKE 	C39H72N10O13	888.5281	NA	PeJP	NA	NA
+PJ067515	LLLLMMR 	C40H76N10O8S2	888.5289	NA	PeJP	NA	NA
+PJ067516	GSKKKRW 	C40H68N14O9	888.5294	NA	PeJP	NA	NA
+PJ067517	GPTLLLLY 	C44H72N8O11	888.5321	NA	PeJP	NA	NA
+PJ067518	SVLKMRR 	C37H72N14O9S	888.5328	NA	PeJP	NA	NA
+PJ067519	SSLLLLLM 	C41H76N8O11S	888.5355	NA	PeJP	NA	NA
+PJ067520	GTTTLLKR 	C38H72N12O12	888.5393	NA	PeJP	NA	NA
+PJ067521	ALKKHHR 	C39H68N16O8	888.5406	NA	PeJP	NA	NA
+PJ067522	AALFRRR 	C39H68N16O8	888.5407	NA	PeJP	NA	NA
+PJ067523	TTLLKKW 	C43H72N10O10	888.5433	NA	PeJP	NA	NA
+PJ067524	ACKKKRR 	C36H72N16O8S	888.544	NA	PeJP	NA	NA
+PJ067525	LLKKKEM 	C40H76N10O10S	888.5467	NA	PeJP	NA	NA
+PJ067526	VVLLLFW 	C48H72N8O8	888.5473	NA	PeJP	NA	NA
+PJ067527	SDKKKKR 	C37H72N14O11	888.5505	NA	PeJP	NA	NA
+PJ067528	VFRRRR 	C38H68N18O7	888.5519	NA	PeJP	NA	NA
+PJ067529	ATKKKKW 	C42H72N12O9	888.5546	NA	PeJP	NA	NA
+PJ067530	TLLKKMR 	C39H76N12O9S	888.5579	NA	PeJP	NA	NA
+PJ067531	SSKKKRR 	C36H72N16O10	888.5618	NA	PeJP	NA	NA
+PJ067532	SSTLLLKK 	C40H76N10O12	888.5645	NA	PeJP	NA	NA
+PJ067533	GLLKFRR 	C41H72N14O8	888.5658	NA	PeJP	NA	NA
+PJ067534	AALLLLLY 	C45H76N8O10	888.5685	NA	PeJP	NA	NA
+PJ067535	AKKKKMR 	C38H76N14O8S	888.5692	NA	PeJP	NA	NA
+HMDB09792	PI(16:0/22:3(10Z,13Z,16Z))	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09813	PI(18:0/20:3(5Z,8Z,11Z))	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09814	PI(18:0/20:3(8Z,11Z,14Z))	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09852	PI(18:2(9Z,12Z)/20:1(11Z))	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09872	PI(20:1(11Z)/18:2(9Z,12Z))	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09880	PI(20:3(5Z,8Z,11Z)/18:0)	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09887	PI(20:3(8Z,11Z,14Z)/18:0)	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+HMDB09907	PI(22:3(10Z,13Z,16Z)/16:0)	C47H85O13P	888.572754	NA	HMDB2010	NA	NA
+PJ067536	TKKKKKE 	C39H76N12O11	888.5757	NA	PeJP	NA	NA
+PJ067537	VLLLLRY 	C44H76N10O9	888.5797	NA	PeJP	NA	NA
+PJ067538	TTKKKKR 	C38H76N14O10	888.5869	NA	PeJP	NA	NA
+PJ067539	VVLKKFR 	C43H76N12O8	888.5909	NA	PeJP	NA	NA
+PJ067540	VKKKKKM 	C40H80N12O8S	888.5943	NA	PeJP	NA	NA
+PJ067541	LLLKKKF 	C45H80N10O8	888.6161	NA	PeJP	NA	NA
+HMDB05368	TG(16:0/18:0/20:1(11Z))[iso6]	C57H108O6	888.814575	NA	HMDB2010	NA	NA
+HMDB05381	TG(16:0/18:1(9Z)/20:0)[iso6]	C57H108O6	888.814575	NA	HMDB2010	NA	NA
+HMDB05395	TG(18:0/18:0/18:1(9Z))[iso3]	C57H108O6	888.814575	NA	HMDB2010	NA	NA
+HMDB05422	TG(16:1(9Z)/18:0/20:0)[iso6]	C57H108O6	888.814575	NA	HMDB2010	NA	NA
+HMDB10433	TG(18:0/18:0/18:1(11Z))[iso3]	C57H108O6	888.814575	NA	HMDB2010	NA	NA
+HMDB05368	TG(16:0/18:0/20:1(11Z))[iso6]	C57H108O6	888.81458	http://www.hmdb.ca/metabolites/HMDB05368	HMDB	NA	NA
+HMDB05381	TG(16:0/18:1(9Z)/20:0)[iso6]	C57H108O6	888.81458	http://www.hmdb.ca/metabolites/HMDB05381	HMDB	NA	NA
+HMDB05395	TG(18:0/18:0/18:1(9Z))[iso3]	C57H108O6	888.81458	http://www.hmdb.ca/metabolites/HMDB05395	HMDB	NA	NA
+HMDB05422	TG(16:1(9Z)/18:0/20:0)[iso6]	C57H108O6	888.81458	http://www.hmdb.ca/metabolites/HMDB05422	HMDB	NA	NA
+HMDB05368	TG(16:0/18:0/20:1(11Z))[iso6]	C57H108O6	888.81458	HMDB05368	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05381	TG(16:0/18:1(9Z)/20:0)[iso6]	C57H108O6	888.81458	HMDB05381	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05395	TG(18:0/18:0/18:1(9Z))[iso3]	C57H108O6	888.81458	HMDB05395	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05422	TG(16:1(9Z)/18:0/20:0)[iso6]	C57H108O6	888.81458	HMDB05422	PFEM_hmdb_metabocards_official	NA	NA
+MJ097029	Glycerol trialkanoates (diacid, symmetrical); Glycerol 1,3-dioctadecanoate 2-(9Z-octadecenoate) 	C57H108O6	888.814591	NA	MeJP	NA	NA
+MJ097030	Glycerol trialkanoates (diacid, unsymmetrical); Glycerol 1,2-dioctadecanoate 3-(9Z-octadecenoate) 	C57H108O6	888.814591	NA	MeJP	NA	NA
+7439	coeliac toxic peptide	QQPPFSQQQQQPLPQ	888.928	MH2+	Inhouse_peptide	NA	peptide
+C02784	2-Fluorobenzoyl-CoA	C28H39FN7O17P3S	889.132	NA	KEGG	NA	NA
+C02792	3-Fluorobenzoyl-CoA	C28H39FN7O17P3S	889.132	NA	KEGG	NA	NA
+C02802	4-Fluorobenzoyl-CoA	C28H39FN7O17P3S	889.132	NA	KEGG	NA	NA
+HMDB12180	6-Oxocyclohex-1-ene-1-carboxyl-CoA	C28H42N7O18P3S	889.151978	NA	HMDB2010	NA	NA
+MetaCyc04248	6-oxocyclohex-1-ene-1-carboxyl-CoA [6-oxocyclohex-1-ene-1-carbonyl-CoA;]	C28H42N7O18P3S1	889.151988	NA	metacyc	NA	NA
+C09821	6-Ketoxycyclohex-1-ene-1-carboxyl-CoA	C28H42N7O18P3S	889.152	NA	KEGG	NA	NA
+PJ067542	CCCCNDDD 	C28H43N9O16S4	889.1711	NA	PeJP	NA	NA
+HMDB02289	2-trans,4-trans-Octadienoyl-CoA	C29H46N7O17P3S	889.18835	http://www.hmdb.ca/metabolites/HMDB02289	HMDB	NA	NA
+HMDB02289	2-trans,4-trans-Octadienoyl-CoA	C29H46N7O17P3S	889.18835	HMDB02289	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02289	2-trans,4-trans-Octadienoyl-CoA	C29H46N7O17P3S	889.188354	NA	HMDB2010	NA	NA
+PJ067543	GSPCCCCCD 	C29H47N9O13S5	889.1897	NA	PeJP	NA	NA
+PJ067544	CCCCCNNQ 	C28H47N11O12S5	889.201	NA	PeJP	NA	NA
+PJ067545	SCCCNDDM 	C29H47N9O15S4	889.2075	NA	PeJP	NA	NA
+PJ067546	PCCCCCQM 	C30H51N9O10S6	889.2084	NA	PeJP	NA	NA
+PJ067547	GSSCCCCNN 	C28H47N11O14S4	889.2187	NA	PeJP	NA	NA
+PJ067548	PCCCCCCR 	C29H51N11O9S6	889.2196	NA	PeJP	NA	NA
+PJ067549	GSCCCCEW 	C33H47N9O12S4	889.2227	NA	PeJP	NA	NA
+PJ067550	GSSSCCCDE 	C29H47N9O17S3	889.2252	NA	PeJP	NA	NA
+PJ067551	GCCCNEMM 	C30H51N9O12S5	889.2261	NA	PeJP	NA	NA
+PJ067552	CCCCCNNK 	C29H51N11O11S5	889.2373	NA	PeJP	NA	NA
+PJ067553	GCCCCDMR 	C29H51N11O11S5	889.2374	NA	PeJP	NA	NA
+PJ067554	SCCCCWW 	C37H47N9O9S4	889.238	NA	PeJP	NA	NA
+FL7AACGA0009	Cyanidin 3-[6-(6-p-coumarylglucosyl)-2-xylosylgalactoside]	C41H45O22	889.24024	-	knapsack	NA	NA
+FL7AACGL0060	Cyanidin 3-(6''-(E)-p-coumarylsambubioside)-5-glucoside	C41H45O22	889.24024	139906-05-1	knapsack	NA	NA
+FL7AACGL0119	Cyanidin 3-(6''-(Z)-p-coumarylsambubioside)-5-glucoside	C41H45O22	889.24024	756452-04-7	knapsack	NA	NA
+PJ067555	SSSCCCDW 	C33H47N9O14S3	889.2405	NA	PeJP	NA	NA
+PJ067556	CCCNMMW 	C34H51N9O9S5	889.2414	NA	PeJP	NA	NA
+PJ067557	SSSSSCCDD 	C29H47N9O19S2	889.243	NA	PeJP	NA	NA
+PJ067558	SSCCNDMM 	C30H51N9O14S4	889.2439	NA	PeJP	NA	NA
+PJ067559	PCCCCCKM 	C31H55N9O9S6	889.2447	NA	PeJP	NA	NA
+PJ067560	GCCCCQHH 	C31H47N13O10S4	889.2452	NA	PeJP	NA	NA
+PJ067561	CDDDEMY 	C34H47N7O17S2	889.247	NA	PeJP	NA	NA
+PJ067562	GCNDDDDH 	C31H43N11O18S	889.2509	NA	PeJP	NA	NA
+PJ067563	CDEMMMM 	C32H55N7O12S5	889.2513	NA	PeJP	NA	NA
+PJ067564	GCCCNNNY 	C32H47N11O13S3	889.2517	NA	PeJP	NA	NA
+PJ067565	GGGGGGGCCCY 	C32H47N11O13S3	889.2518	NA	PeJP	NA	NA
+PJ067566	SSCCCCER 	C29H51N11O13S4	889.2551	NA	PeJP	NA	NA
+PJ067567	CCCNDFW 	C37H47N9O11S3	889.2558	NA	PeJP	NA	NA
+PJ067568	GSCCNDEY 	C33H47N9O16S2	889.2583	NA	PeJP	NA	NA
+PJ067569	GSTCCCMW 	C34H51N9O11S4	889.2591	NA	PeJP	NA	NA
+PJ067570	GSSSSCCEM 	C30H51N9O16S3	889.2616	NA	PeJP	NA	NA
+PJ067571	GSCCQMMM 	C31H55N9O11S5	889.2625	NA	PeJP	NA	NA
+PJ067572	SSCCCNHH 	C31H47N13O12S3	889.263	NA	PeJP	NA	NA
+PJ067573	CDDEMMF 	C35H51N7O14S3	889.2657	NA	PeJP	NA	NA
+PJ067574	SPCCNDDH 	C32H47N11O15S2	889.2695	NA	PeJP	NA	NA
+PJ067575	CCEMMHH 	C33H51N11O10S4	889.2704	NA	PeJP	NA	NA
+PJ067576	SCCNDYW 	C37H47N9O13S2	889.2735	NA	PeJP	NA	NA
+PJ067577	GSCCCMMR 	C30H55N11O10S5	889.2737	NA	PeJP	NA	NA
+PJ067578	CCCMHFF 	C38H51N9O8S4	889.2744	NA	PeJP	NA	NA
+PJ067579	SSSCNDDY 	C33H47N9O18S	889.276	NA	PeJP	NA	NA
+PJ067580	SSSSCCMW 	C34H51N9O13S3	889.2769	NA	PeJP	NA	NA
+PJ067581	SSSSSSCDM 	C30H51N9O18S2	889.2794	NA	PeJP	NA	NA
+PJ067582	PCDDDYY 	C38H47N7O16S	889.28	NA	PeJP	NA	NA
+PJ067583	SSSCNMMM 	C31H55N9O13S4	889.2802	NA	PeJP	NA	NA
+PJ067584	GGSSSCMMM 	C31H55N9O13S4	889.2803	NA	PeJP	NA	NA
+PJ067585	GCCNNNEH 	C31H47N13O14S2	889.2807	NA	PeJP	NA	NA
+PJ067586	GGGGGGGCCEH 	C31H47N13O14S2	889.2808	NA	PeJP	NA	NA
+PJ067587	GCCCCKHH 	C32H51N13O9S4	889.2816	NA	PeJP	NA	NA
+PJ067588	SDDEMMY 	C35H51N7O16S2	889.2834	NA	PeJP	NA	NA
+PJ067589	PCDMMMY 	C36H55N7O11S4	889.2843	NA	PeJP	NA	NA
+PJ067590	CCDEHHF 	C36H47N11O12S2	889.2848	NA	PeJP	NA	NA
+PJ067591	ASCNDDEH 	C32H47N11O17S	889.2872	NA	PeJP	NA	NA
+PJ067592	GSNDDDMH 	C32H47N11O17S	889.2873	NA	PeJP	NA	NA
+PJ067593	SEMMMMM 	C33H59N7O11S5	889.2876	NA	PeJP	NA	NA
+PJ067594	CCCNERY 	C33H51N11O12S3	889.2881	NA	PeJP	NA	NA
+PJ067595	CNNDDFY 	C37H47N9O15S	889.2913	NA	PeJP	NA	NA
+PJ067596	SSTCCCMR 	C30H55N11O12S4	889.2915	NA	PeJP	NA	NA
+PJ067597	GCCQMYW 	C38H51N9O10S3	889.2921	NA	PeJP	NA	NA
+PJ067598	GGGPCCCFF 	C38H51N9O10S3	889.2922	NA	PeJP	NA	NA
+PJ067599	GPNDDDEE 	C33H47N9O20	889.2938	NA	PeJP	NA	NA
+PJ067600	GSSCNEMY 	C34H51N9O15S2	889.2946	NA	PeJP	NA	NA
+PJ067601	GSPPPCCDD 	C34H51N9O15S2	889.2947	NA	PeJP	NA	NA
+PJ067602	DDDDHHH 	C34H43N13O16	889.2951	NA	PeJP	NA	NA
+PJ067603	APCCCCKY 	C35H55N9O10S4	889.2955	NA	PeJP	NA	NA
+PJ067604	CCNNNHW 	C35H47N13O11S2	889.296	NA	PeJP	NA	NA
+PJ067605	GDDEEYY 	C38H47N7O18	889.2978	NA	PeJP	NA	NA
+PJ067606	GSSSSTCMM 	C31H55N9O15S3	889.298	NA	PeJP	NA	NA
+PJ067607	SSCNNNDH 	C31H47N13O16S	889.2985	NA	PeJP	NA	NA
+PJ067608	PCDDMFY 	C39H51N7O13S2	889.2987	NA	PeJP	NA	NA
+PJ067609	GSCCKMMM 	C32H59N9O10S5	889.2989	NA	PeJP	NA	NA
+PJ067610	GPCCCDHR 	C32H51N13O11S3	889.2994	NA	PeJP	NA	NA
+PJ067611	GEEMMMY 	C36H55N7O13S3	889.302	NA	PeJP	NA	NA
+PJ067612	SCNDEHW 	C36H47N11O14S	889.3025	NA	PeJP	NA	NA
+PJ067613	PCMMMMF 	C37H59N7O8S5	889.3029	NA	PeJP	NA	NA
+PJ067614	GCCCRYW 	C37H51N11O9S3	889.3034	NA	PeJP	NA	NA
+PJ067615	SSSNDDEH 	C32H47N11O19	889.305	NA	PeJP	NA	NA
+PJ067616	GSSCCDRY 	C33H51N11O14S2	889.3059	NA	PeJP	NA	NA
+PJ067617	CLMMMMM 	C34H63N7O8S6	889.3063	NA	PeJP	NA	NA
+PJ067618	CCCQMFR 	C34H55N11O9S4	889.3067	NA	PeJP	NA	NA
+PJ067619	GACCCMFR 	C34H55N11O9S4	889.3068	NA	PeJP	NA	NA
+PJ067620	PNDDDEW 	C37H47N9O17	889.309	NA	PeJP	NA	NA
+PJ067621	SSCNMYW 	C38H51N9O12S2	889.3099	NA	PeJP	NA	NA
+PJ067622	SSSSNDMY 	C34H51N9O17S	889.3124	NA	PeJP	NA	NA
+PJ067623	DDEYYW 	C42H47N7O15	889.313	NA	PeJP	NA	NA
+PJ067624	SNNMMMY 	C35H55N9O12S3	889.3133	NA	PeJP	NA	NA
+PJ067625	SSSSSSSMM 	C31H55N9O17S2	889.3157	NA	PeJP	NA	NA
+PJ067626	SSSSSTTCM 	C31H55N9O17S2	889.3158	NA	PeJP	NA	NA
+PJ067627	GNNNNNDE 	C31H47N13O18	889.3162	NA	PeJP	NA	NA
+PJ067628	GGGGGNNNDE 	C31H47N13O18	889.3163	NA	PeJP	NA	NA
+PJ067629	SPDDMYY 	C39H51N7O15S	889.3164	NA	PeJP	NA	NA
+PJ067630	SSTCCKMM 	C32H59N9O12S4	889.3166	NA	PeJP	NA	NA
+PJ067631	CNDDMHR 	C32H51N13O13S2	889.3171	NA	PeJP	NA	NA
+PJ067632	EMMMYW 	C40H55N7O10S3	889.3173	NA	PeJP	NA	NA
+PJ067633	GSCDHWW 	C40H47N11O11S	889.3178	NA	PeJP	NA	NA
+PJ067634	CCCCFRR 	C33H55N13O8S4	889.318	NA	PeJP	NA	NA
+PJ067635	PEEEEEE 	C35H51N7O20	889.3189	NA	PeJP	NA	NA
+PJ067636	STEEMMY 	C36H55N7O15S2	889.3198	NA	PeJP	NA	NA
+PJ067637	GSSSDDHW 	C36H47N11O16	889.3203	NA	PeJP	NA	NA
+PJ067638	SPMMMMY 	C37H59N7O10S4	889.3206	NA	PeJP	NA	NA
+PJ067639	AEMMMMF 	C37H59N7O10S4	889.3207	NA	PeJP	NA	NA
+PJ067640	GNDMMHW 	C37H51N11O11S2	889.3211	NA	PeJP	NA	NA
+PJ067641	GGGGGPPCCW 	C37H51N11O11S2	889.3212	NA	PeJP	NA	NA
+PJ067642	GSSNEEMH 	C33H51N11O16S	889.3236	NA	PeJP	NA	NA
+PJ067643	GGGGGPNDEM 	C33H51N11O16S	889.3237	NA	PeJP	NA	NA
+PJ067644	GPDDDWW 	C41H47N9O14	889.3243	NA	PeJP	NA	NA
+PJ067645	SCCQMRY 	C34H55N11O11S3	889.3245	NA	PeJP	NA	NA
+PJ067646	CNNEHHH 	C34H47N15O12S	889.325	NA	PeJP	NA	NA
+PJ067647	ACCNFFW 	C42H51N9O9S2	889.3251	NA	PeJP	NA	NA
+PJ067648	GCCQFFW 	C42H51N9O9S2	889.3252	NA	PeJP	NA	NA
+PJ067649	GSSSTCYW 	C38H51N9O14S	889.3276	NA	PeJP	NA	NA
+PJ067650	GSPPCDEW 	C38H51N9O14S	889.3277	NA	PeJP	NA	NA
+MJ097031	Cochinmicin I 	C46H47N7O12	889.32827	NA	MeJP	NA	NA
+PJ067651	GSCCNNHR 	C31H51N15O12S2	889.3283	NA	PeJP	NA	NA
+PJ067652	GGGSCCNHR 	C31H51N15O12S2	889.3284	NA	PeJP	NA	NA
+PJ067653	GCCKMYW 	C39H55N9O9S3	889.3285	NA	PeJP	NA	NA
+PJ067654	GSSSSSSEY 	C34H51N9O19	889.3301	NA	PeJP	NA	NA
+PJ067655	GSPNEEEE 	C34H51N9O19	889.3302	NA	PeJP	NA	NA
+PJ067656	GSSSQMMY 	C35H55N9O14S2	889.331	NA	PeJP	NA	NA
+PJ067657	NNNNNDW 	C35H47N13O15	889.3315	NA	PeJP	NA	NA
+PJ067658	DEMFYW 	C43H51N7O12S	889.3317	NA	PeJP	NA	NA
+PJ067659	CCQKMMF 	C36H59N9O9S4	889.3319	NA	PeJP	NA	NA
+PJ067660	GCCEHRW 	C36H51N13O10S2	889.3324	NA	PeJP	NA	NA
+PJ067661	GTEEEYY 	C39H51N7O17	889.3342	NA	PeJP	NA	NA
+PJ067662	GSSCDEHR 	C32H51N13O15S	889.3349	NA	PeJP	NA	NA
+PJ067663	GPEMMYY 	C40H55N7O12S2	889.335	NA	PeJP	NA	NA
+PJ067664	GEEMMFF 	C40H55N7O12S2	889.3351	NA	PeJP	NA	NA
+PJ067665	GNDDHFW 	C40H47N11O13	889.3355	NA	PeJP	NA	NA
+PJ067666	SCCCRRY 	C33H55N13O10S3	889.3357	NA	PeJP	NA	NA
+PJ067667	CQMHWW 	C41H51N11O8S2	889.3364	NA	PeJP	NA	NA
+PJ067668	SVEMMMY 	C37H59N7O12S3	889.3384	NA	PeJP	NA	NA
+PJ067669	SSNEMHW 	C37H51N11O13S	889.3389	NA	PeJP	NA	NA
+PJ067670	GMMMHHF 	C38H55N11O8S3	889.3398	NA	PeJP	NA	NA
+PJ067671	GCNHHHW 	C38H47N15O9S	889.3402	NA	PeJP	NA	NA
+PJ067672	GSPDDDER 	C33H51N11O18	889.3414	NA	PeJP	NA	NA
+PJ067673	GSSSCMRY 	C34H55N11O13S2	889.3423	NA	PeJP	NA	NA
+PJ067674	GSSNDHHH 	C34H47N15O14	889.3427	NA	PeJP	NA	NA
+PJ067675	SPPCDWW 	C42H51N9O11S	889.3429	NA	PeJP	NA	NA
+PJ067676	CCCKMFR 	C35H59N11O8S4	889.3431	NA	PeJP	NA	NA
+PJ067677	SSSSSSYW 	C38H51N9O16	889.3454	NA	PeJP	NA	NA
+PJ067678	STCCKYW 	C39H55N9O11S2	889.3463	NA	PeJP	NA	NA
+PJ067679	CCHRWW 	C40H51N13O7S2	889.3476	NA	PeJP	NA	NA
+PJ067680	SSSSTQMY 	C35H55N9O16S	889.3488	NA	PeJP	NA	NA
+PJ067681	TEEYYW 	C43H51N7O14	889.3494	NA	PeJP	NA	NA
+PJ067682	SCQKMMY 	C36H59N9O11S3	889.3496	NA	PeJP	NA	NA
+PJ067683	GGTCKMMY 	C36H59N9O11S3	889.3497	NA	PeJP	NA	NA
+PJ067684	SSCDHRW 	C36H51N13O12S	889.3501	NA	PeJP	NA	NA
+PJ067685	GGGGGGGGMHF 	C36H51N13O12S	889.3502	NA	PeJP	NA	NA
+PJ067686	PMMYYW 	C44H55N7O9S2	889.3503	NA	PeJP	NA	NA
+PJ067687	SSSSDDHR 	C32H51N13O17	889.3526	NA	PeJP	NA	NA
+PJ067688	GGGGGGDEER 	C32H51N13O17	889.3527	NA	PeJP	NA	NA
+PJ067689	GVEEMYY 	C40H55N7O14S	889.3528	NA	PeJP	NA	NA
+PJ067690	SNDMMHR 	C33H55N13O12S2	889.3535	NA	PeJP	NA	NA
+PJ067691	APMMMFY 	C41H59N7O9S3	889.3537	NA	PeJP	NA	NA
+PJ067692	GSSMHWW 	C41H51N11O10S	889.3541	NA	PeJP	NA	NA
+PJ067693	GGGPCQWW 	C41H51N11O10S	889.3542	NA	PeJP	NA	NA
+PJ067694	SPDDDRW 	C37H51N11O15	889.3566	NA	PeJP	NA	NA
+PJ067695	GGGQQEEW 	C37H51N11O15	889.3567	NA	PeJP	NA	NA
+PJ067696	ALMMMMY 	C38H63N7O9S4	889.357	NA	PeJP	NA	NA
+PJ067697	PPCCERW 	C38H55N11O10S2	889.3575	NA	PeJP	NA	NA
+PJ067698	SSSSTCRY 	C34H55N11O15S	889.36	NA	PeJP	NA	NA
+PJ067699	GSPEEWW 	C42H51N9O13	889.3607	NA	PeJP	NA	NA
+PJ067700	SCCKMRY 	C35H59N11O10S3	889.3609	NA	PeJP	NA	NA
+PJ067701	SNQMHHH 	C35H51N15O11S	889.3613	NA	PeJP	NA	NA
+PJ067702	GGSQMHHH 	C35H51N15O11S	889.3614	NA	PeJP	NA	NA
+PJ067703	APPCMWW 	C43H55N9O8S2	889.3615	NA	PeJP	NA	NA
+PJ067704	GSNNNNDR 	C31H51N15O16	889.3639	NA	PeJP	NA	NA
+PJ067705	APQEEMW 	C39H55N9O13S	889.364	NA	PeJP	NA	NA
+PJ067706	GAAPEEMW 	C39H55N9O13S	889.3641	NA	PeJP	NA	NA
+PJ067707	PDFYYW 	C47H51N7O11	889.3647	NA	PeJP	NA	NA
+PJ067708	PPMMMHF 	C40H59N9O8S3	889.3649	NA	PeJP	NA	NA
+PJ067709	PPCNHHW 	C40H51N13O9S	889.3654	NA	PeJP	NA	NA
+PJ067710	GSSSSTTTY 	C35H55N9O18	889.3665	NA	PeJP	NA	NA
+PJ067711	GGLQEEEE 	C35H55N9O18	889.3666	NA	PeJP	NA	NA
+PJ067712	GSSSKMMY 	C36H59N9O13S2	889.3674	NA	PeJP	NA	NA
+PJ067713	GNNDERW 	C36H51N13O14	889.3679	NA	PeJP	NA	NA
+PJ067714	VEMYYW 	C44H55N7O11S	889.3681	NA	PeJP	NA	NA
+PJ067715	CCKKMMF 	C37H63N9O8S4	889.3683	NA	PeJP	NA	NA
+PJ067716	ASCMHRW 	C37H55N13O9S2	889.3687	NA	PeJP	NA	NA
+PJ067717	GTCMHRW 	C37H55N13O9S2	889.3688	NA	PeJP	NA	NA
+PJ067718	GEHHHHH 	C37H47N17O10	889.3692	NA	PeJP	NA	NA
+PJ067719	SSLEEYY 	C40H55N7O16	889.3705	NA	PeJP	NA	NA
+PJ067720	TTLDDYY 	C40H55N7O16	889.3706	NA	PeJP	NA	NA
+PJ067721	SSSCNQKH 	C33H55N13O14S	889.3712	NA	PeJP	NA	NA
+PJ067722	PCDDERR 	C33H55N13O14S	889.3713	NA	PeJP	NA	NA
+PJ067723	SPVMMYY 	C41H59N7O11S2	889.3714	NA	PeJP	NA	NA
+PJ067724	SSSTHWW 	C41H51N11O12	889.3719	NA	PeJP	NA	NA
+PJ067725	GQMMMHR 	C34H59N13O9S3	889.3721	NA	PeJP	NA	NA
+PJ067726	SCNHHHR 	C34H51N17O10S	889.3726	NA	PeJP	NA	NA
+PJ067727	CKMHWW 	C42H55N11O7S2	889.3728	NA	PeJP	NA	NA
+PJ067728	TTLMMMY 	C38H63N7O11S3	889.3748	NA	PeJP	NA	NA
+PJ067729	GPDEMRW 	C38H55N11O12S	889.3753	NA	PeJP	NA	NA
+PJ067730	SPEWWW 	C46H51N9O10	889.3759	NA	PeJP	NA	NA
+PJ067731	AQEEEER 	C34H55N11O17	889.3778	NA	PeJP	NA	NA
+PJ067732	SPPVCCER 	C35H59N11O12S2	889.3786	NA	PeJP	NA	NA
+PJ067733	GSPPDMMR 	C35H59N11O12S2	889.3787	NA	PeJP	NA	NA
+PJ067734	PNDDHHR 	C35H51N15O13	889.3791	NA	PeJP	NA	NA
+PJ067735	AAPEMWW 	C43H55N9O10S	889.3793	NA	PeJP	NA	NA
+PJ067736	GLQEEEW 	C39H55N9O15	889.3818	NA	PeJP	NA	NA
+PJ067737	NNNNQMR 	C32H55N15O13S	889.3825	NA	PeJP	NA	NA
+PJ067738	PPTQMMW 	C40H59N9O10S2	889.3827	NA	PeJP	NA	NA
+PJ067739	NNDRWW 	C40H51N13O11	889.3831	NA	PeJP	NA	NA
+PJ067740	GGGGDRWW 	C40H51N13O11	889.3832	NA	PeJP	NA	NA
+PJ067741	PMFFYW 	C48H55N7O8S	889.3833	NA	PeJP	NA	NA
+PJ067742	GCMMHRR 	C33H59N15O8S3	889.3834	NA	PeJP	NA	NA
+PJ067743	HHHHHW 	C41H47N17O7	889.3845	NA	PeJP	NA	NA
+PJ067744	SSSSTKMY 	C36H59N9O15S	889.3852	NA	PeJP	NA	NA
+PJ067745	GPVEYYY 	C44H55N7O13	889.3858	NA	PeJP	NA	NA
+PJ067746	SCKKMMY 	C37H63N9O10S3	889.386	NA	PeJP	NA	NA
+PJ067747	GGGPPLMMM 	C37H63N9O10S3	889.3861	NA	PeJP	NA	NA
+PJ067748	SSSMHRW 	C37H55N13O11S	889.3865	NA	PeJP	NA	NA
+PJ067749	LMMFYW 	C45H59N7O8S2	889.3867	NA	PeJP	NA	NA
+PJ067750	SQHFWW 	C45H51N11O9	889.3871	NA	PeJP	NA	NA
+PJ067751	GQQWWW 	C45H51N11O9	889.3872	NA	PeJP	NA	NA
+PJ067752	GDEEERR 	C33H55N13O16	889.389	NA	PeJP	NA	NA
+PJ067753	ATLEMYY 	C41H59N7O13S	889.3892	NA	PeJP	NA	NA
+PJ067754	STQMMHR 	C34H59N13O11S2	889.3899	NA	PeJP	NA	NA
+PJ067755	ALMMMFF 	C42H63N7O8S3	889.3901	NA	PeJP	NA	NA
+PJ067756	PDMRWW 	C42H55N11O9S	889.3905	NA	PeJP	NA	NA
+PJ067757	LLEEEEE 	C37H59N7O18	889.3917	NA	PeJP	NA	NA
+PJ067758	AAEEERW 	C38H55N11O14	889.393	NA	PeJP	NA	NA
+PJ067759	GGGGAKEEW 	C38H55N11O14	889.3931	NA	PeJP	NA	NA
+PJ067760	CNNNNRR 	C31H55N17O12S	889.3937	NA	PeJP	NA	NA
+PJ067761	GGGGGGGGCRR 	C31H55N17O12S	889.3938	NA	PeJP	NA	NA
+PJ067762	PPTCMRW 	C39H59N11O9S2	889.3939	NA	PeJP	NA	NA
+PJ067763	GQQHHHF 	C39H51N15O10	889.3944	NA	PeJP	NA	NA
+PJ067764	PCLWWW 	C47H55N9O7S	889.3946	NA	PeJP	NA	NA
+PJ067765	PTQEEMR 	C35H59N11O14S	889.3964	NA	PeJP	NA	NA
+PJ067766	SSPVEWW 	C43H55N9O12	889.397	NA	PeJP	NA	NA
+PJ067767	LQEEWW 	C43H55N9O12	889.3971	NA	PeJP	NA	NA
+PJ067768	PPQMMMR 	C36H63N11O9S3	889.3973	NA	PeJP	NA	NA
+PJ067769	GCDHFRR 	C36H55N15O10S	889.3977	NA	PeJP	NA	NA
+PJ067770	GSPPCHHR 	C36H55N15O10S	889.3978	NA	PeJP	NA	NA
+PJ067771	PQHHWW 	C44H51N13O8	889.3984	NA	PeJP	NA	NA
+PJ067772	SNNDERR 	C32H55N15O15	889.4002	NA	PeJP	NA	NA
+PJ067773	GGSNDERR 	C32H55N15O15	889.4003	NA	PeJP	NA	NA
+PJ067774	APKEEMW 	C40H59N9O12S	889.4004	NA	PeJP	NA	NA
+PJ067775	PVYYYW 	C48H55N7O10	889.4011	NA	PeJP	NA	NA
+PJ067776	NMHFRW 	C41H55N13O8S	889.4018	NA	PeJP	NA	NA
+PJ067777	VQKEEEE 	C36H59N9O17	889.4029	NA	PeJP	NA	NA
+PJ067778	GPPTKEMM 	C37H63N9O12S2	889.4038	NA	PeJP	NA	NA
+7422	coeliac toxic peptide	QYQPYPEQQQPFVQ	889.404	MH2+	Inhouse_peptide	NA	peptide
+PJ067779	DEERRW 	C37H55N13O13	889.4043	NA	PeJP	NA	NA
+PJ067780	GPLMFYY 	C45H59N7O10S	889.4044	NA	PeJP	NA	NA
+PJ067781	GLEMFFF 	C45H59N7O10S	889.4045	NA	PeJP	NA	NA
+PJ067782	PCCKHFR 	C38H59N13O8S2	889.4051	NA	PeJP	NA	NA
+PJ067783	SVHHHHH 	C38H51N17O9	889.4056	NA	PeJP	NA	NA
+PJ067784	TTTLEYY 	C41H59N7O15	889.4069	NA	PeJP	NA	NA
+PJ067785	SPDEMRR 	C34H59N13O13S	889.4076	NA	PeJP	NA	NA
+PJ067786	GGGGVQEMR 	C34H59N13O13S	889.4077	NA	PeJP	NA	NA
+PJ067787	GLLMMYY 	C42H63N7O10S2	889.4078	NA	PeJP	NA	NA
+PJ067788	VDERWW 	C42H55N11O11	889.4083	NA	PeJP	NA	NA
+PJ067789	PPCMMRR 	C35H63N13O8S3	889.4085	NA	PeJP	NA	NA
+PJ067790	STTKMHW 	C39H59N11O11S	889.4116	NA	PeJP	NA	NA
+PJ067791	APTEMRW 	C39H59N11O11S	889.4117	NA	PeJP	NA	NA
+PJ067792	ALEWWW 	C47H55N9O9	889.4123	NA	PeJP	NA	NA
+PJ067793	TTTTTTQH 	C35H59N11O16	889.4141	NA	PeJP	NA	NA
+PJ067794	AKEEEER 	C35H59N11O16	889.4142	NA	PeJP	NA	NA
+MJ097032	Sperm activating peptide; Sperm activating peptide A 	C36H63N11O11S2	889.414993	NA	MeJP	NA	NA
+PJ067795	PVQEMMR 	C36H63N11O11S2	889.415	NA	PeJP	NA	NA
+PJ067796	GGGGGPVKMM 	C36H63N11O11S2	889.4151	NA	PeJP	NA	NA
+PJ067797	GSNDRRW 	C36H55N15O12	889.4155	NA	PeJP	NA	NA
+PJ067798	GPTLMWW 	C44H59N9O9S	889.4157	NA	PeJP	NA	NA
+PJ067799	PFFFFW 	C52H55N7O7	889.4163	NA	PeJP	NA	NA
+PJ067800	GLKEEEW 	C40H59N9O14	889.4182	NA	PeJP	NA	NA
+PJ067801	GNQEMRR 	C33H59N15O12S	889.4189	NA	PeJP	NA	NA
+PJ067802	PPTKMMW 	C41H63N9O9S2	889.419	NA	PeJP	NA	NA
+PJ067803	PVVQMMW 	C41H63N9O9S2	889.4191	NA	PeJP	NA	NA
+PJ067804	SQQRWW 	C41H55N13O10	889.4195	NA	PeJP	NA	NA
+PJ067805	LMFFFW 	C49H59N7O7S	889.4197	NA	PeJP	NA	NA
+PJ067806	ASSSPPTLM 	C37H63N9O14S	889.4215	NA	PeJP	NA	NA
+PJ067807	PKKEEEM 	C37H63N9O14S	889.4216	NA	PeJP	NA	NA
+PJ067808	APTLYYY 	C45H59N7O12	889.4222	NA	PeJP	NA	NA
+PJ067809	GPPVKMMM 	C38H67N9O9S3	889.4224	NA	PeJP	NA	NA
+PJ067810	AAQQMRW 	C38H59N13O10S	889.4229	NA	PeJP	NA	NA
+PJ067811	GQKWWW 	C46H55N11O8	889.4235	NA	PeJP	NA	NA
+PJ067812	GGAKWWW 	C46H55N11O8	889.4236	NA	PeJP	NA	NA
+PJ067813	ATEEERR 	C34H59N13O15	889.4254	NA	PeJP	NA	NA
+PJ067814	STLLMYY 	C42H63N7O12S	889.4256	NA	PeJP	NA	NA
+PJ067815	APEMMRR 	C35H63N13O10S2	889.4263	NA	PeJP	NA	NA
+PJ067816	GQQQHHR 	C35H55N17O11	889.4267	NA	PeJP	NA	NA
+PJ067817	GGGAAQHHR 	C35H55N17O11	889.4268	NA	PeJP	NA	NA
+PJ067818	GPPMFRW 	C43H59N11O8S	889.4269	NA	PeJP	NA	NA
+PJ067819	GTLEERW 	C39H59N11O13	889.4294	NA	PeJP	NA	NA
+PJ067820	GCNERRR 	C32H59N17O11S	889.4301	NA	PeJP	NA	NA
+PJ067821	GPLMMRW 	C40H63N11O8S2	889.4303	NA	PeJP	NA	NA
+PJ067822	GPTHHRW 	C40H55N15O9	889.4308	NA	PeJP	NA	NA
+PJ067823	PTKEEMR 	C36H63N11O13S	889.4328	NA	PeJP	NA	NA
+PJ067824	LKEEWW 	C44H59N9O11	889.4334	NA	PeJP	NA	NA
+PJ067825	GAAPLEFW 	C44H59N9O11	889.4335	NA	PeJP	NA	NA
+PJ067826	PPKMMMR 	C37H67N11O8S3	889.4337	NA	PeJP	NA	NA
+PJ067827	NQMRRW 	C37H59N15O9S	889.4341	NA	PeJP	NA	NA
+PJ067828	PKHHWW 	C45H55N13O7	889.4348	NA	PeJP	NA	NA
+PJ067829	SSQQERR 	C33H59N15O14	889.4366	NA	PeJP	NA	NA
+PJ067830	GGGGGGASSKR 	C33H59N15O14	889.4367	NA	PeJP	NA	NA
+PJ067831	SPLKEMW 	C41H63N9O11S	889.4368	NA	PeJP	NA	NA
+PJ067832	VLFYYW 	C49H59N7O9	889.4375	NA	PeJP	NA	NA
+PJ067833	GNNHHRR 	C34H55N19O10	889.438	NA	PeJP	NA	NA
+PJ067834	VKKEEEE 	C37H63N9O16	889.4393	NA	PeJP	NA	NA
+PJ067835	AAPLKEMM 	C38H67N9O11S2	889.4402	NA	PeJP	NA	NA
+PJ067836	ASNKERW 	C38H59N13O12	889.4406	NA	PeJP	NA	NA
+PJ067837	GSQKERW 	C38H59N13O12	889.4407	NA	PeJP	NA	NA
+PJ067838	GLLMFFY 	C46H63N7O9S	889.4408	NA	PeJP	NA	NA
+PJ067839	GLEEMRR 	C35H63N13O12S	889.444	NA	PeJP	NA	NA
+PJ067840	GGGGGGAAKKM 	C35H63N13O12S	889.4441	NA	PeJP	NA	NA
+PJ067841	TLERWW 	C43H59N11O10	889.4447	NA	PeJP	NA	NA
+PJ067842	CNRRRW 	C36H59N17O8S	889.4454	NA	PeJP	NA	NA
+PJ067843	SSNDRRR 	C32H59N17O13	889.4479	NA	PeJP	NA	NA
+PJ067844	AVVEMRW 	C40H63N11O10S	889.448	NA	PeJP	NA	NA
+PJ067845	GVLEMRW 	C40H63N11O10S	889.4481	NA	PeJP	NA	NA
+PJ067846	SLLWWW 	C48H59N9O8	889.4487	NA	PeJP	NA	NA
+PJ067847	SLKEEER 	C36H63N11O15	889.4505	NA	PeJP	NA	NA
+PJ067848	TLDKEER 	C36H63N11O15	889.4506	NA	PeJP	NA	NA
+PJ067849	PVKEMMR 	C37H67N11O10S2	889.4514	NA	PeJP	NA	NA
+PJ067850	GSTQRRW 	C37H59N15O11	889.4519	NA	PeJP	NA	NA
+PJ067851	AALLMWW 	C45H63N9O8S	889.4521	NA	PeJP	NA	NA
+PJ067852	SVLKEEW 	C41H63N9O13	889.4546	NA	PeJP	NA	NA
+PJ067853	ATQQMRR 	C34H63N15O11S	889.4552	NA	PeJP	NA	NA
+PJ067854	GNKEMRR 	C34H63N15O11S	889.4553	NA	PeJP	NA	NA
+PJ067855	PVVKMMW 	C42H67N9O8S2	889.4554	NA	PeJP	NA	NA
+PJ067856	SQKRWW 	C42H59N13O9	889.4559	NA	PeJP	NA	NA
+PJ067857	LLQKEEM 	C38H67N9O13S	889.4579	NA	PeJP	NA	NA
+PJ067858	GALLKEEM 	C38H67N9O13S	889.458	NA	PeJP	NA	NA
+PJ067859	GVLLYYY 	C46H63N7O11	889.4586	NA	PeJP	NA	NA
+PJ067860	LEMRRW 	C39H63N13O9S	889.4593	NA	PeJP	NA	NA
+PJ067861	GKKWWW 	C47H59N11O7	889.4599	NA	PeJP	NA	NA
+PJ067862	STLEERR 	C35H63N13O14	889.4618	NA	PeJP	NA	NA
+PJ067863	SPLMMRR 	C36H67N13O9S2	889.4627	NA	PeJP	NA	NA
+PJ067864	GVEHHRR 	C36H59N17O10	889.4631	NA	PeJP	NA	NA
+PJ067865	VLMRWW 	C44H63N11O7S	889.4633	NA	PeJP	NA	NA
+PJ067866	SSLLERW 	C40H63N11O12	889.4658	NA	PeJP	NA	NA
+PJ067867	GSQMRRR 	C33H63N17O10S	889.4665	NA	PeJP	NA	NA
+PJ067868	AALHHRW 	C41H59N15O8	889.4671	NA	PeJP	NA	NA
+PJ067869	GVVHHRW 	C41H59N15O8	889.4672	NA	PeJP	NA	NA
+PJ067870	VVKEEMR 	C37H67N11O12S	889.4692	NA	PeJP	NA	NA
+PJ067871	ATTLLWW 	C45H63N9O10	889.4698	NA	PeJP	NA	NA
+PJ067872	NKMRRW 	C38H63N15O8S	889.4705	NA	PeJP	NA	NA
+PJ067873	SSQKERR 	C34H63N15O13	889.473	NA	PeJP	NA	NA
+PJ067874	ALLKEMW 	C42H67N9O10S	889.4732	NA	PeJP	NA	NA
+PJ067875	PCCKKRR 	C35H67N15O8S2	889.4739	NA	PeJP	NA	NA
+PJ067876	EHHRRR 	C35H59N19O9	889.4744	NA	PeJP	NA	NA
+PJ067877	GTTLLKEE 	C38H67N9O15	889.4757	NA	PeJP	NA	NA
+PJ067878	GPTLLKMM 	C39H71N9O10S2	889.4766	NA	PeJP	NA	NA
+PJ067879	GSKKERW 	C39H63N13O11	889.477	NA	PeJP	NA	NA
+PJ067880	GGGGPVKRY 	C39H63N13O11	889.4771	NA	PeJP	NA	NA
+PJ067881	GSCRRRR 	C32H63N19O9S	889.4777	NA	PeJP	NA	NA
+PJ067882	VHHRRW 	C40H59N17O7	889.4784	NA	PeJP	NA	NA
+PJ067883	SVLEMRR 	C36H67N13O11S	889.4804	NA	PeJP	NA	NA
+PJ067884	DKKKWW 	C44H63N11O9	889.4811	NA	PeJP	NA	NA
+PJ067885	SSTQRRR 	C33H63N17O12	889.4842	NA	PeJP	NA	NA
+PJ067886	GGSTTRRR 	C33H63N17O12	889.4843	NA	PeJP	NA	NA
+PJ067887	ATLLMRW 	C41H67N11O9S	889.4844	NA	PeJP	NA	NA
+PJ067888	GTTTLLER 	C37H67N11O14	889.4869	NA	PeJP	NA	NA
+PJ067889	VLLQMMR 	C38H71N11O9S2	889.4878	NA	PeJP	NA	NA
+PJ067890	GSTKRRW 	C38H63N15O10	889.4883	NA	PeJP	NA	NA
+PJ067891	TTLLKEW 	C42H67N9O12	889.4909	NA	PeJP	NA	NA
+PJ067892	GSTTLLLW 	C42H67N9O12	889.491	NA	PeJP	NA	NA
+PJ067893	ATQKMRR 	C35H67N15O10S	889.4916	NA	PeJP	NA	NA
+PJ067894	GDKKMRR 	C35H67N15O10S	889.4917	NA	PeJP	NA	NA
+PJ067895	SKKRWW 	C43H63N13O8	889.4923	NA	PeJP	NA	NA
+PJ067896	LLKKEEM 	C39H71N9O12S	889.4943	NA	PeJP	NA	NA
+PJ067897	AAKKMRW 	C40H67N13O8S	889.4957	NA	PeJP	NA	NA
+PJ067898	SDKKKER 	C36H67N13O13	889.4982	NA	PeJP	NA	NA
+PJ067899	ALLMMRR 	C37H71N13O8S2	889.499	NA	PeJP	NA	NA
+PJ067900	QQFRRR 	C37H63N17O9	889.4995	NA	PeJP	NA	NA
+PJ067901	TTTLLRW 	C41H67N11O11	889.5022	NA	PeJP	NA	NA
+PJ067902	GSKMRRR 	C34H67N17O9S	889.5029	NA	PeJP	NA	NA
+MJ097033	Tylosin; 20-Alcohol, 2C,3C-di-O-de-Me 	C44H75NO17	889.503499	NA	MeJP	NA	NA
+PJ067903	KHFFRR 	C42H63N15O7	889.5035	NA	PeJP	NA	NA
+PJ067904	TLLKEMR 	C38H71N11O11S	889.5056	NA	PeJP	NA	NA
+PJ067905	APLLKYW 	C46H67N9O9	889.5062	NA	PeJP	NA	NA
+PJ067906	SSKKERR 	C35H67N15O12	889.5094	NA	PeJP	NA	NA
+PJ067907	SLLLKMW 	C43H71N9O9S	889.5096	NA	PeJP	NA	NA
+PJ067908	SSTLLLKE 	C39H71N9O14	889.5121	NA	PeJP	NA	NA
+PJ067909	AALLLKMM 	C40H75N9O9S2	889.513	NA	PeJP	NA	NA
+PJ067910	ATTKKRW 	C40H67N13O10	889.5134	NA	PeJP	NA	NA
+PJ067911	TTLLMRR 	C37H71N13O10S	889.5168	NA	PeJP	NA	NA
+PJ067912	GVLLFRW 	C45H67N11O8	889.5175	NA	PeJP	NA	NA
+MJ097034	Heinsiagenin A; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H75NO14	889.518756	NA	MeJP	NA	NA
+PJ067913	SSTKRRR 	C34H67N17O11	889.5206	NA	PeJP	NA	NA
+PJ067914	GLKKKMW 	C42H71N11O8S	889.5208	NA	PeJP	NA	NA
+PJ067915	SSTTLLLR 	C38H71N11O13	889.5233	NA	PeJP	NA	NA
+2566	regulating cell-permeability peptide	NYKKPKL	889.5239	antibacterial	Inhouse_peptide	NA	peptide
+PJ067916	VLLKMMR 	C39H75N11O8S2	889.5242	NA	PeJP	NA	NA
+PJ067917	GVQKFRR 	C39H67N15O9	889.5247	NA	PeJP	NA	NA
+PJ067918	PLLKKEY 	C43H71N9O11	889.5273	NA	PeJP	NA	NA
+PJ067919	GGAALLLLY 	C43H71N9O11	889.5274	NA	PeJP	NA	NA
+PJ067920	ATKKMRR 	C36H71N15O9S	889.528	NA	PeJP	NA	NA
+PJ067921	LLFRRW 	C44H67N13O7	889.5287	NA	PeJP	NA	NA
+PJ067922	ATTLLLKM 	C40H75N9O11S	889.5307	NA	PeJP	NA	NA
+PJ067923	TTKKKER 	C37H71N13O12	889.5345	NA	PeJP	NA	NA
+PJ067924	GSTTLKKR 	C37H71N13O12	889.5346	NA	PeJP	NA	NA
+PJ067925	QKFRRR 	C38H67N17O8	889.5359	NA	PeJP	NA	NA
+PJ067926	STLKKKW 	C42H71N11O10	889.5386	NA	PeJP	NA	NA
+PJ067927	VKKKKEM 	C39H75N11O10S	889.5419	NA	PeJP	NA	NA
+PJ067928	LDKKKKM 	C39H75N11O10S	889.542	NA	PeJP	NA	NA
+PJ067929	ALLLKFW 	C47H71N9O8	889.5426	NA	PeJP	NA	NA
+PJ067930	TTTKKRR 	C36H71N15O11	889.5458	NA	PeJP	NA	NA
+PJ067931	TTTTLLLK 	C40H75N9O13	889.5485	NA	PeJP	NA	NA
+PJ067932	GLLLRRY 	C41H71N13O9	889.5498	NA	PeJP	NA	NA
+PJ067933	SLKKKMR 	C38H75N13O9S	889.5532	NA	PeJP	NA	NA
+PJ067934	SSSLLKKK 	C39H75N11O12	889.5597	NA	PeJP	NA	NA
+PJ067935	GVKKFRR 	C40H71N15O8	889.5611	NA	PeJP	NA	NA
+PJ067936	LLLLQKY 	C44H75N9O10	889.5637	NA	PeJP	NA	NA
+PJ067937	GSSKKKKK 	C38H75N13O11	889.5709	NA	PeJP	NA	NA
+PJ067938	KKFRRR 	C39H71N17O7	889.5723	NA	PeJP	NA	NA
+PJ067939	VVLLKRY 	C43H75N11O9	889.575	NA	PeJP	NA	NA
+EUR1028	PC 40:8 [M-H+acetate]-	C48H80NO8P	889.583257	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1028	PC 40:8 [M-H+acetate]-	C48H80NO8P	889.583257	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1028	PC 40:8 [M-H+acetate]-	C48H80NO8P	889.583257	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1028	PC 40:8 [M-H+acetate]-	C48H80NO8P	889.583257	masses lipides attendues	Inhousejuil11	NA	NA
+PJ067940	ALKKKFR 	C42H75N13O8	889.5862	NA	PeJP	NA	NA
+PJ067941	CKKKKKK 	C39H79N13O8S	889.5896	NA	PeJP	NA	NA
+PJ067942	LLLLKKY 	C45H79N9O9	889.6001	NA	PeJP	NA	NA
+PJ067943	VLKKKKF 	C44H79N11O8	889.6113	NA	PeJP	NA	NA
+HMDB12318	3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))	C48H91NO11S	889.631287	NA	HMDB2010	NA	NA
+HMDB04834	Galabiosylceramide (d18:1/18:0)	C48H91NO13	889.649048	NA	HMDB2010	NA	NA
+HMDB11591	Lactosylceramide (d18:1/18:0)	C48H91NO13	889.649048	NA	HMDB2010	NA	NA
+HMDB04834	Galabiosylceramide (d18:1/18:0)	C48H91NO13	889.64905	http://www.hmdb.ca/metabolites/HMDB04834	HMDB	NA	NA
+HMDB04869	Lactosylceramide (d18:1/18:0)	C48H91NO13	889.64905	http://www.hmdb.ca/metabolites/HMDB04869	HMDB	NA	NA
+HMDB04834	Galabiosylceramide (d18:1/18:0)	C48H91NO13	889.64905	HMDB04834	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04869	Lactosylceramide (d18:1/18:0)	C48H91NO13	889.64905	HMDB04869	PFEM_hmdb_metabocards_official	NA	NA
+HMDB08520	PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08551	PC(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08581	PC(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08582	PC(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08613	PC(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08645	PC(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08677	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08710	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08742	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+HMDB08807	PC(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))	C52H92NO8P	889.656067	NA	HMDB2010	NA	NA
+7421	coeliac toxic peptide	QYQPYPEQQEPFVQ	889.896	MH2+	Inhouse_peptide	NA	peptide
+3466	angiogenin fragment:108-122	ENGLPVHLDQSIFRR	889.96145	MH2+	Inhouse_peptide	NA	peptide
+MJ097035	?-(Dimethylamino)-3,5-diiodo-N-[5-[[3-(3-iodo-4-methoxyphenyl)-2-(methylamino)-1-oxopropyl]amino]pentyl]-4-methoxybenzenepropanamide; N29-Me 	C29H41I3N4O4	890.026186	NA	MeJP	NA	NA
+PJ067944	CCCCDDDD 	C28H42N8O17S4	890.1551	NA	PeJP	NA	NA
+PJ067945	CCCCCNNE 	C28H46N10O13S5	890.185	NA	PeJP	NA	NA
+PJ067946	SCCCDDDM 	C29H46N8O16S4	890.1915	NA	PeJP	NA	NA
+PJ067947	PCCCCCEM 	C30H50N8O11S6	890.1924	NA	PeJP	NA	NA
+PJ067948	GCCCCCNW 	C32H46N10O10S5	890.2002	NA	PeJP	NA	NA
+PJ067949	GSSCCCCND 	C28H46N10O15S4	890.2027	NA	PeJP	NA	NA
+MJ097036	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid, 3C,3'C-Dideoxy 	C47H38O18	890.205814	NA	MeJP	NA	NA
+PJ067950	GCCCDEMM 	C30H50N8O13S5	890.2101	NA	PeJP	NA	NA
+PJ067951	SCCCCNQM 	C29H50N10O12S5	890.2214	NA	PeJP	NA	NA
+PJ067952	GCCCDDEF 	C33H46N8O15S3	890.2245	NA	PeJP	NA	NA
+PJ067953	CCCDMMW 	C34H50N8O10S5	890.2254	NA	PeJP	NA	NA
+PJ067954	SSCCDDMM 	C30H50N8O15S4	890.2279	NA	PeJP	NA	NA
+PJ067955	PTCCCCMM 	C31H54N8O10S6	890.2288	NA	PeJP	NA	NA
+PJ067956	GCCCCEHH 	C31H46N12O11S4	890.2292	NA	PeJP	NA	NA
+PJ067957	SCCCCCNR 	C28H50N12O11S5	890.2326	NA	PeJP	NA	NA
+PJ067958	GCDDDDDH 	C31H42N10O19S	890.2349	NA	PeJP	NA	NA
+PJ067959	GCCCNNDY 	C32H46N10O14S3	890.2357	NA	PeJP	NA	NA
+PJ067960	GGGCCCNDY 	C32H46N10O14S3	890.2358	NA	PeJP	NA	NA
+PJ067961	GSSSCCCNM 	C29H50N10O14S4	890.2391	NA	PeJP	NA	NA
+PJ067962	CCCDDFW 	C37H46N8O12S3	890.2398	NA	PeJP	NA	NA
+PJ067963	GSCCDDEY 	C33H46N8O17S2	890.2423	NA	PeJP	NA	NA
+PJ067964	GPCCCDMY 	C34H50N8O12S4	890.2431	NA	PeJP	NA	NA
+PJ067965	CCCCHHW 	C35H46N12O8S4	890.2445	NA	PeJP	NA	NA
+PJ067966	GSCCEMMM 	C31H54N8O12S5	890.2465	NA	PeJP	NA	NA
+PJ067967	SSCCCDHH 	C31H46N12O13S3	890.247	NA	PeJP	NA	NA
+PJ067968	SPCCDDDH 	C32H46N10O16S2	890.2535	NA	PeJP	NA	NA
+PJ067969	GCCCNNMF 	C33H50N10O11S4	890.2544	NA	PeJP	NA	NA
+PJ067970	SSSSSCCCQ 	C29H50N10O16S3	890.2569	NA	PeJP	NA	NA
+PJ067971	SCCDDYW 	C37H46N8O14S2	890.2575	NA	PeJP	NA	NA
+PJ067972	SCCCCNKM 	C30H54N10O11S5	890.2577	NA	PeJP	NA	NA
+PJ067973	GGSCCCCKM 	C30H54N10O11S5	890.2578	NA	PeJP	NA	NA
+PJ067974	SSSCDDDY 	C33H46N8O19S	890.26	NA	PeJP	NA	NA
+PJ067975	CNDDMMY 	C34H50N8O14S3	890.2609	NA	PeJP	NA	NA
+PJ067976	SCCMMMW 	C35H54N8O9S5	890.2618	NA	PeJP	NA	NA
+PJ067977	SSSCDMMM 	C31H54N8O14S4	890.2643	NA	PeJP	NA	NA
+PJ067978	GCCNNDEH 	C31H46N12O15S2	890.2647	NA	PeJP	NA	NA
+PJ067979	GGGCCNDEH 	C31H46N12O15S2	890.2648	NA	PeJP	NA	NA
+PJ067980	CNMMMMM 	C32H58N8O9S6	890.2651	NA	PeJP	NA	NA
+PJ067981	GTCCCMHH 	C32H50N12O10S4	890.2656	NA	PeJP	NA	NA
+PJ067982	GSDDDDMH 	C32H46N10O18S	890.2713	NA	PeJP	NA	NA
+PJ067983	CCCDERY 	C33H50N10O13S3	890.2721	NA	PeJP	NA	NA
+PJ067984	GSSSSSSSCC 	C29H50N10O18S2	890.2746	NA	PeJP	NA	NA
+PJ067985	CNDDDFY 	C37H46N8O16S	890.2753	NA	PeJP	NA	NA
+PJ067986	GSSTCCCCK 	C30H54N10O13S4	890.2755	NA	PeJP	NA	NA
+PJ067987	GCCEMYW 	C38H50N8O11S3	890.2762	NA	PeJP	NA	NA
+PJ067988	GPDDDDEE 	C33H46N8O21	890.2778	NA	PeJP	NA	NA
+PJ067989	GSSCDEMY 	C34H50N8O16S2	890.2787	NA	PeJP	NA	NA
+PJ067990	GSPCCMMY 	C35H54N8O11S4	890.2795	NA	PeJP	NA	NA
+PJ067991	CCNNDHW 	C35H46N12O12S2	890.28	NA	PeJP	NA	NA
+C11724	Cycloguanil pamoate	C12H16N2O3	890.2822	NA	KEGG	NA	NA
+PJ067992	SSCNNDDH 	C31H46N12O17S	890.2825	NA	PeJP	NA	NA
+PJ067993	GSTCMMMM 	C32H58N8O11S5	890.2829	NA	PeJP	NA	NA
+PJ067994	SSSCCMHH 	C32H50N12O12S3	890.2834	NA	PeJP	NA	NA
+PJ067995	SCDDEHW 	C36H46N10O15S	890.2865	NA	PeJP	NA	NA
+PJ067996	PCCDMHW 	C37H50N10O10S3	890.2874	NA	PeJP	NA	NA
+PJ067997	SSSDDDEH 	C32H46N10O20	890.289	NA	PeJP	NA	NA
+PJ067998	SSSCCNQY 	C33H50N10O15S2	890.2899	NA	PeJP	NA	NA
+PJ067999	CCCEMFR 	C34H54N10O10S4	890.2908	NA	PeJP	NA	NA
+PJ068000	CCMYWW 	C42H50N8O8S3	890.2914	NA	PeJP	NA	NA
+PJ068001	PDDDDEW 	C37H46N8O18	890.293	NA	PeJP	NA	NA
+PJ068002	SSSSSCCCK 	C30H54N10O15S3	890.2933	NA	PeJP	NA	NA
+PJ068003	SSCDMYW 	C38H50N8O13S2	890.2939	NA	PeJP	NA	NA
+PJ068004	TCCCCCKK 	C31H58N10O10S5	890.2941	NA	PeJP	NA	NA
+PJ068005	ACCMMFW 	C39H54N8O8S4	890.2948	NA	PeJP	NA	NA
+PJ068006	SSSSDDMY 	C34H50N8O18S	890.2964	NA	PeJP	NA	NA
+PJ068007	SNDMMMY 	C35H54N8O13S3	890.2973	NA	PeJP	NA	NA
+PJ068008	CCNMHHF 	C36H50N12O9S3	890.2986	NA	PeJP	NA	NA
+PJ068009	GNNNNDDE 	C31H46N12O19	890.3003	NA	PeJP	NA	NA
+PJ068010	SSSSMMMM 	C32H58N8O13S4	890.3006	NA	PeJP	NA	NA
+PJ068011	CDDDMHR 	C32H50N12O14S2	890.3011	NA	PeJP	NA	NA
+PJ068012	NDDDEHF 	C36H46N10O17	890.3043	NA	PeJP	NA	NA
+PJ068013	CCNNQFY 	C37H50N10O12S2	890.3051	NA	PeJP	NA	NA
+PJ068014	GDDMMHW 	C37H50N10O12S2	890.3052	NA	PeJP	NA	NA
+PJ068015	GSSSSSCNY 	C33H50N10O17S	890.3076	NA	PeJP	NA	NA
+PJ068016	GSSDEEMH 	C33H50N10O17S	890.3077	NA	PeJP	NA	NA
+PJ068017	SCCEMRY 	C34H54N10O12S3	890.3085	NA	PeJP	NA	NA
+PJ068018	CNDEHHH 	C34H46N14O13S	890.309	NA	PeJP	NA	NA
+PJ068019	GPCCYYW 	C42H50N8O10S2	890.3092	NA	PeJP	NA	NA
+PJ068020	GNDEMYY 	C38H50N8O15S	890.3117	NA	PeJP	NA	NA
+PJ068021	GSCCNDHR 	C31H50N14O13S2	890.3124	NA	PeJP	NA	NA
+PJ068022	GTCMMYW 	C39H54N8O10S3	890.3125	NA	PeJP	NA	NA
+PJ068023	GSPDEEEE 	C34H50N8O20	890.3142	NA	PeJP	NA	NA
+PJ068024	GSSSEMMY 	C35H54N8O15S2	890.315	NA	PeJP	NA	NA
+PJ068025	GPPDDEMM 	C35H54N8O15S2	890.3151	NA	PeJP	NA	NA
+PJ068026	NNNNDDW 	C35H46N12O16	890.3155	NA	PeJP	NA	NA
+PJ068027	GQMMMMY 	C36H58N8O10S4	890.3159	NA	PeJP	NA	NA
+PJ068028	SCNNMHW 	C36H50N12O11S2	890.3164	NA	PeJP	NA	NA
+PJ068029	GPCNDDDR 	C32H50N12O16S	890.3189	NA	PeJP	NA	NA
+PJ068030	GDDDHFW 	C40H46N10O14	890.3195	NA	PeJP	NA	NA
+PJ068031	NNNMMMH 	C33H54N12O11S3	890.3197	NA	PeJP	NA	NA
+PJ068032	GGNNMMMH 	C33H54N12O11S3	890.3198	NA	PeJP	NA	NA
+PJ068033	CEMHWW 	C41H50N10O9S2	890.3204	NA	PeJP	NA	NA
+PJ068034	SSDEMHW 	C37H50N10O14S	890.3229	NA	PeJP	NA	NA
+PJ068035	SPCMMHW 	C38H54N10O9S3	890.3238	NA	PeJP	NA	NA
+PJ068036	GCDHHHW 	C38H46N14O10S	890.3242	NA	PeJP	NA	NA
+PJ068037	CCFFWW 	C46H50N8O7S2	890.3244	NA	PeJP	NA	NA
+PJ068038	SSSSEEEH 	C33H50N10O19	890.3254	NA	PeJP	NA	NA
+PJ068039	SSSCCNKY 	C34H54N10O14S2	890.3263	NA	PeJP	NA	NA
+PJ068040	GSSDDHHH 	C34H46N14O15	890.3268	NA	PeJP	NA	NA
+PJ068041	NDMYYW 	C42H50N8O12S	890.3269	NA	PeJP	NA	NA
+PJ068042	GCMMMRY 	C35H58N10O9S4	890.3271	NA	PeJP	NA	NA
+PJ068043	GCCCCKKF 	C35H58N10O9S4	890.3272	NA	PeJP	NA	NA
+PJ068044	GPTCCHHH 	C35H50N14O10S2	890.3276	NA	PeJP	NA	NA
+PJ068045	SPDEEEW 	C38H50N8O17	890.3294	NA	PeJP	NA	NA
+PJ068046	GNNNNNNM 	C31H50N14O15S	890.3301	NA	PeJP	NA	NA
+PJ068047	GGGGGGGGGGGNM 	C31H50N14O15S	890.3302	NA	PeJP	NA	NA
+PJ068048	SSSMMYW 	C39H54N8O12S2	890.3303	NA	PeJP	NA	NA
+PJ068049	CCNQMHR 	C32H54N14O10S3	890.331	NA	PeJP	NA	NA
+PJ068050	SSSSTEMY 	C35H54N8O17S	890.3328	NA	PeJP	NA	NA
+PJ068051	STQMMMY 	C36H58N8O12S3	890.3337	NA	PeJP	NA	NA
+PJ068052	GSSSCQHW 	C36H50N12O13S	890.3341	NA	PeJP	NA	NA
+PJ068053	GGGGGSPCNW 	C36H50N12O13S	890.3342	NA	PeJP	NA	NA
+PJ068054	NNDDEER 	C32H50N12O18	890.3366	NA	PeJP	NA	NA
+PJ068055	GGNDDEER 	C32H50N12O18	890.3367	NA	PeJP	NA	NA
+PJ068056	SDDMMHR 	C33H54N12O13S2	890.3375	NA	PeJP	NA	NA
+PJ068057	GPCNEWW 	C41H50N10O11S	890.3382	NA	PeJP	NA	NA
+MJ097037	Urdamycin A; 5-(Methylthio) 	C44H58O17S	890.339471	NA	MeJP	NA	NA
+PJ068058	GSSSNNYY 	C37H50N10O16	890.3406	NA	PeJP	NA	NA
+PJ068059	GNQEEEW 	C37H50N10O16	890.3407	NA	PeJP	NA	NA
+PJ068060	GTEMMHW 	C38H54N10O11S2	890.3415	NA	PeJP	NA	NA
+PJ068061	GGGGPPPCCF 	C38H54N10O11S2	890.3416	NA	PeJP	NA	NA
+PJ068062	ACYYWW 	C46H50N8O9S	890.3422	NA	PeJP	NA	NA
+PJ068063	PDDEEMR 	C34H54N10O16S	890.344	NA	PeJP	NA	NA
+PJ068064	GGGGGPTEEM 	C34H54N10O16S	890.3441	NA	PeJP	NA	NA
+PJ068065	GSSEYYW 	C42H50N8O14	890.3447	NA	PeJP	NA	NA
+PJ068066	STCMMRY 	C35H58N10O11S3	890.3449	NA	PeJP	NA	NA
+PJ068067	SNEMHHH 	C35H50N14O12S	890.3454	NA	PeJP	NA	NA
+PJ068068	NMMFYW 	C43H54N8O9S2	890.3455	NA	PeJP	NA	NA
+PJ068069	GGMMFYW 	C43H54N8O9S2	890.3456	NA	PeJP	NA	NA
+PJ068070	GSNNNDDR 	C31H50N14O17	890.3479	NA	PeJP	NA	NA
+PJ068071	GTQEMYY 	C39H54N8O14S	890.348	NA	PeJP	NA	NA
+PJ068072	APEEEMW 	C39H54N8O14S	890.3481	NA	PeJP	NA	NA
+PJ068073	GYYYYY 	C47H50N6O12	890.3487	NA	PeJP	NA	NA
+PJ068074	GGGSSCMHR 	C32H54N14O12S2	890.3488	NA	PeJP	NA	NA
+PJ068075	PCCKMFY 	C40H58N8O9S3	890.3489	NA	PeJP	NA	NA
+PJ068076	GCNQHFW 	C40H50N12O10S	890.3494	NA	PeJP	NA	NA
+PJ068077	VQEEEEE 	C35H54N8O19	890.3506	NA	PeJP	NA	NA
+PJ068078	GSTTTMMY 	C36H58N8O14S2	890.3514	NA	PeJP	NA	NA
+PJ068079	GNDDERW 	C36H50N12O15	890.3519	NA	PeJP	NA	NA
+PJ068080	GKMMMMY 	C37H62N8O9S4	890.3523	NA	PeJP	NA	NA
+PJ068081	SCCQKHW 	C37H54N12O10S2	890.3528	NA	PeJP	NA	NA
+PJ068082	PCNWWW 	C45H50N10O8S	890.3534	NA	PeJP	NA	NA
+PJ068083	NNQQQEM 	C33H54N12O15S	890.3552	NA	PeJP	NA	NA
+PJ068084	GSPNDDMR 	C33H54N12O15S	890.3553	NA	PeJP	NA	NA
+PJ068085	NQEEWW 	C41H50N10O13	890.3559	NA	PeJP	NA	NA
+PJ068086	GEMMMHR 	C34H58N12O10S3	890.3561	NA	PeJP	NA	NA
+PJ068087	GGAPPCCMR 	C34H58N12O10S3	890.3562	NA	PeJP	NA	NA
+PJ068088	SCDHHHR 	C34H50N16O11S	890.3566	NA	PeJP	NA	NA
+PJ068089	TMMHWW 	C42H54N10O8S2	890.3568	NA	PeJP	NA	NA
+MJ097038	Dysoxylumin A; 16-Deacyl, 16-(2-acetoxy-3-methylbutanoyl) 	C44H58O19	890.357229	NA	MeJP	NA	NA
+PJ068090	STTEMHW 	C38H54N10O13S	890.3593	NA	PeJP	NA	NA
+PJ068091	SSYYWW 	C46H50N8O11	890.3599	NA	PeJP	NA	NA
+PJ068092	GVMMMHW 	C39H58N10O8S3	890.3602	NA	PeJP	NA	NA
+PJ068093	GSMHHHW 	C39H50N14O9S	890.3606	NA	PeJP	NA	NA
+PJ068094	AEEEEER 	C34H54N10O18	890.3618	NA	PeJP	NA	NA
+PJ068095	SKEEMMH 	C35H58N10O13S2	890.3627	NA	PeJP	NA	NA
+PJ068096	PDDDHHR 	C35H50N14O14	890.3631	NA	PeJP	NA	NA
+PJ068097	GGGGGSPEHH 	C35H50N14O14	890.3632	NA	PeJP	NA	NA
+PJ068098	TQMYYW 	C43H54N8O11S	890.3633	NA	PeJP	NA	NA
+PJ068099	AQMMHHH 	C36H54N14O9S2	890.364	NA	PeJP	NA	NA
+PJ068100	GLEEEEW 	C39H54N8O16	890.3658	NA	PeJP	NA	NA
+2	Sarcoplasmic	GLSDGEWQ	890.366	celiac toxic	Inhouse_peptide	NA	peptide
+PJ068101	SSSSCQHR 	C32H54N14O14S	890.3665	NA	PeJP	NA	NA
+PJ068102	PPTEMMW 	C40H58N8O11S2	890.3667	NA	PeJP	NA	NA
+PJ068103	GSNNQWW 	C40H50N12O12	890.3671	NA	PeJP	NA	NA
+PJ068104	NDDRWW 	C40H50N12O12	890.3672	NA	PeJP	NA	NA
+PJ068105	GPPCCCRR 	C33H58N14O9S3	890.3674	NA	PeJP	NA	NA
+PJ068106	SSTTTTMY 	C36H58N8O16S	890.3692	NA	PeJP	NA	NA
+PJ068107	STKMMMY 	C37H62N8O11S3	890.37	NA	PeJP	NA	NA
+PJ068108	GPPVEMMM 	C37H62N8O11S3	890.3701	NA	PeJP	NA	NA
+PJ068109	SPCNERW 	C37H54N12O12S	890.3705	NA	PeJP	NA	NA
+PJ068110	GGGGGGGGVMW 	C37H54N12O12S	890.3706	NA	PeJP	NA	NA
+PJ068111	GQEWWW 	C45H50N10O10	890.3712	NA	PeJP	NA	NA
+PJ068112	MMMHRW 	C38H58N12O7S3	890.3714	NA	PeJP	NA	NA
+PJ068113	SNQEEER 	C33H54N12O17	890.373	NA	PeJP	NA	NA
+PJ068114	GGGGGGGSKEE 	C33H54N12O17	890.3731	NA	PeJP	NA	NA
+PJ068115	STEMMHR 	C34H58N12O12S2	890.3739	NA	PeJP	NA	NA
+PJ068116	NNNQQHH 	C34H50N16O13	890.3744	NA	PeJP	NA	NA
+PJ068117	GSPQMWW 	C42H54N10O10S	890.3745	NA	PeJP	NA	NA
+PJ068118	GGGPTMWW 	C42H54N10O10S	890.3746	NA	PeJP	NA	NA
+PJ068119	ACMHHHR 	C35H54N16O8S2	890.3752	NA	PeJP	NA	NA
+PJ068120	ATQQEEW 	C38H54N10O15	890.377	NA	PeJP	NA	NA
+PJ068121	GNKEEEW 	C38H54N10O15	890.3771	NA	PeJP	NA	NA
+PJ068122	CNNNDRR 	C31H54N16O13S	890.3777	NA	PeJP	NA	NA
+PJ068123	GGGGCNDRR 	C31H54N16O13S	890.3778	NA	PeJP	NA	NA
+PJ068124	SSLMMHW 	C39H58N10O10S2	890.3779	NA	PeJP	NA	NA
+PJ068125	SSTHHHW 	C39H50N14O11	890.3784	NA	PeJP	NA	NA
+PJ068126	NMFFFW 	C47H54N8O8S	890.3786	NA	PeJP	NA	NA
+PJ068127	PTEEEMR 	C35H58N10O15S	890.3804	NA	PeJP	NA	NA
+PJ068128	ASTTYYW 	C43H54N8O13	890.381	NA	PeJP	NA	NA
+PJ068129	LEEEWW 	C43H54N8O13	890.3811	NA	PeJP	NA	NA
+PJ068130	PPEMMMR 	C36H62N10O10S3	890.3813	NA	PeJP	NA	NA
+PJ068131	ACNNQRW 	C36H54N14O11S	890.3817	NA	PeJP	NA	NA
+PJ068132	GNNNMRW 	C36H54N14O11S	890.3818	NA	PeJP	NA	NA
+PJ068133	PCCKFFF 	C44H58N8O8S2	890.3819	NA	PeJP	NA	NA
+PJ068134	PEHHWW 	C44H50N12O9	890.3824	NA	PeJP	NA	NA
+PJ068135	SSNNNNNK 	C32H54N14O16	890.3842	NA	PeJP	NA	NA
+PJ068136	SNDDERR 	C32H54N14O16	890.3843	NA	PeJP	NA	NA
+PJ068137	SPLEEMW 	C40H58N8O13S	890.3844	NA	PeJP	NA	NA
+PJ068138	GPPVDEMF 	C40H58N8O13S	890.3845	NA	PeJP	NA	NA
+PJ068139	PCNDMRR 	C33H58N14O11S2	890.3851	NA	PeJP	NA	NA
+PJ068140	GGGGGPCCKR 	C33H58N14O11S2	890.3852	NA	PeJP	NA	NA
+PJ068141	PPVMMMW 	C41H62N8O8S3	890.3853	NA	PeJP	NA	NA
+PJ068142	GSPCRWW 	C41H54N12O9S	890.3858	NA	PeJP	NA	NA
+PJ068143	QWWWW 	C49H50N10O7	890.3864	NA	PeJP	NA	NA
+PJ068144	VKEEEEE 	C36H58N8O18	890.3869	NA	PeJP	NA	NA
+PJ068145	AATLEEEE 	C36H58N8O18	890.387	NA	PeJP	NA	NA
+PJ068146	AAPLEEMM 	C37H62N8O13S2	890.3878	NA	PeJP	NA	NA
+PJ068147	GSQEERW 	C37H54N12O14	890.3883	NA	PeJP	NA	NA
+PJ068148	APCQMRW 	C38H58N12O9S2	890.3891	NA	PeJP	NA	NA
+PJ068149	GPNMMRW 	C38H58N12O9S2	890.3892	NA	PeJP	NA	NA
+PJ068150	CLHFWW 	C46H54N10O7S	890.3898	NA	PeJP	NA	NA
+PJ068151	VCQQEER 	C34H58N12O14S	890.3916	NA	PeJP	NA	NA
+PJ068152	AQQEEMR 	C34H58N12O14S	890.3917	NA	PeJP	NA	NA
+PJ068153	NKEEWW 	C42H54N10O12	890.3923	NA	PeJP	NA	NA
+PJ068154	SVMMMHR 	C35H62N12O9S3	890.3925	NA	PeJP	NA	NA
+PJ068155	SSMHHHR 	C35H54N16O10S	890.393	NA	PeJP	NA	NA
+PJ068156	QHHHFW 	C43H50N14O8	890.3936	NA	PeJP	NA	NA
+PJ068157	GAHHHFW 	C43H50N14O8	890.3937	NA	PeJP	NA	NA
+PJ068158	SPNKEMW 	C39H58N10O12S	890.3957	NA	PeJP	NA	NA
+PJ068159	VNFYYW 	C47H54N8O10	890.3963	NA	PeJP	NA	NA
+MJ097039	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[2-O-Sulfo-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C42H66O18S	890.396985	NA	MeJP	NA	NA
+PJ068160	SLEEEER 	C35H58N10O17	890.3982	NA	PeJP	NA	NA
+PJ068161	PVEEMMR 	C36H62N10O12S2	890.399	NA	PeJP	NA	NA
+PJ068162	GAPQKEMM 	C36H62N10O12S2	890.3991	NA	PeJP	NA	NA
+PJ068163	GSDDRRW 	C36H54N14O13	890.3995	NA	PeJP	NA	NA
+PJ068164	GGGGGGGAAPPH 	C36H54N14O13	890.3996	NA	PeJP	NA	NA
+PJ068165	TKMYYW 	C44H58N8O10S	890.3997	NA	PeJP	NA	NA
+PJ068166	APCCRRW 	C37H58N14O8S2	890.4004	NA	PeJP	NA	NA
+PJ068167	SVLEEEW 	C40H58N8O15	890.4022	NA	PeJP	NA	NA
+PJ068168	GNEEMRR 	C33H58N14O13S	890.4029	NA	PeJP	NA	NA
+PJ068169	PVVEMMW 	C41H62N8O10S2	890.4031	NA	PeJP	NA	NA
+PJ068170	SQERWW 	C41H54N12O11	890.4035	NA	PeJP	NA	NA
+PJ068171	GGGGGSKWW 	C41H54N12O11	890.4036	NA	PeJP	NA	NA
+PJ068172	LLQEEEM 	C37H62N8O15S	890.4056	NA	PeJP	NA	NA
+PJ068173	APPTLMMM 	C38H66N8O10S3	890.4064	NA	PeJP	NA	NA
+PJ068174	AAQEMRW 	C38H58N12O11S	890.4069	NA	PeJP	NA	NA
+PJ068175	GKEWWW 	C46H54N10O9	890.4076	NA	PeJP	NA	NA
+PJ068176	SNKEEER 	C34H58N12O16	890.4094	NA	PeJP	NA	NA
+PJ068177	PNDKMMR 	C35H62N12O11S2	890.4103	NA	PeJP	NA	NA
+PJ068178	ANQEHHR 	C35H54N16O12	890.4107	NA	PeJP	NA	NA
+PJ068179	GQQEHHR 	C35H54N16O12	890.4108	NA	PeJP	NA	NA
+PJ068180	GSPKMWW 	C43H58N10O9S	890.4109	NA	PeJP	NA	NA
+PJ068181	HFFFFF 	C51H54N8O7	890.4116	NA	PeJP	NA	NA
+PJ068182	GDKKEEW 	C39H58N10O14	890.4134	NA	PeJP	NA	NA
+PJ068183	GGGGAAPLEY 	C39H58N10O14	890.4135	NA	PeJP	NA	NA
+PJ068184	GCDERRR 	C32H58N16O12S	890.4141	NA	PeJP	NA	NA
+PJ068185	APQKMMW 	C40H62N10O9S2	890.4143	NA	PeJP	NA	NA
+MJ097040	Premnaodoroside D 	C42H66O20	890.414744	NA	MeJP	NA	NA
+PJ068186	GVQQHHW 	C40H54N14O10	890.4148	NA	PeJP	NA	NA
+PJ068187	VVEEEMR 	C36H62N10O14S	890.4168	NA	PeJP	NA	NA
+PJ068188	GPTKYYY 	C44H58N8O12	890.4174	NA	PeJP	NA	NA
+PJ068189	SPPLEYW 	C44H58N8O12	890.4175	NA	PeJP	NA	NA
+PJ068190	TLKMMMH 	C37H66N10O9S3	890.4177	NA	PeJP	NA	NA
+PJ068191	NEMRRW 	C37H58N14O10S	890.4181	NA	PeJP	NA	NA
+PJ068192	GGEMRRW 	C37H58N14O10S	890.4182	NA	PeJP	NA	NA
+PJ068193	GTRWWW 	C45H54N12O8	890.4188	NA	PeJP	NA	NA
+PJ068194	SSQEERR 	C33H58N14O15	890.4206	NA	PeJP	NA	NA
+PJ068195	GGSTEERR 	C33H58N14O15	890.4207	NA	PeJP	NA	NA
+PJ068196	ALLEEMW 	C41H62N8O12S	890.4208	NA	PeJP	NA	NA
+PJ068197	SPNMMRR 	C34H62N14O10S2	890.4215	NA	PeJP	NA	NA
+PJ068198	GNDHHRR 	C34H54N18O11	890.422	NA	PeJP	NA	NA
+PJ068199	VNMRWW 	C42H58N12O8S	890.4222	NA	PeJP	NA	NA
+PJ068200	KWWWW 	C50H54N10O6	890.4228	NA	PeJP	NA	NA
+PJ068201	GTTLLEEE 	C37H62N8O17	890.4233	NA	PeJP	NA	NA
+PJ068202	GPTLLEMM 	C38H66N8O12S2	890.4242	NA	PeJP	NA	NA
+PJ068203	GSKEERW 	C38H58N12O13	890.4247	NA	PeJP	NA	NA
+PJ068204	APCKMRW 	C39H62N12O8S2	890.4255	NA	PeJP	NA	NA
+PJ068205	QQHHRW 	C39H54N16O9	890.426	NA	PeJP	NA	NA
+PJ068206	AQKEEMR 	C35H62N12O13S	890.428	NA	PeJP	NA	NA
+PJ068207	GAAKEEMR 	C35H62N12O13S	890.4281	NA	PeJP	NA	NA
+PJ068208	DKKEWW 	C43H58N10O11	890.4287	NA	PeJP	NA	NA
+PJ068209	CDRRRW 	C36H58N16O9S	890.4294	NA	PeJP	NA	NA
+PJ068210	KHHHFW 	C44H54N14O7	890.43	NA	PeJP	NA	NA
+PJ068211	SSDDRRR 	C32H58N16O14	890.4319	NA	PeJP	NA	NA
+PJ068212	SVLQQMW 	C40H62N10O11S	890.432	NA	PeJP	NA	NA
+PJ068213	GLQKEMW 	C40H62N10O11S	890.4321	NA	PeJP	NA	NA
+PJ068214	TKFFYW 	C48H58N8O9	890.4327	NA	PeJP	NA	NA
+PJ068215	PTCCRRR 	C33H62N16O9S2	890.4328	NA	PeJP	NA	NA
+PJ068216	GMRRWW 	C41H58N14O7S	890.4334	NA	PeJP	NA	NA
+PJ068217	ATTTLQQE 	C36H62N10O16	890.4345	NA	PeJP	NA	NA
+PJ068218	TQKKEEE 	C36H62N10O16	890.4346	NA	PeJP	NA	NA
+PJ068219	PQKKEMM 	C37H66N10O11S2	890.4354	NA	PeJP	NA	NA
+PJ068220	GGGGGVLLMM 	C37H66N10O11S2	890.4355	NA	PeJP	NA	NA
+PJ068221	GSTERRW 	C37H58N14O12	890.4359	NA	PeJP	NA	NA
+PJ068222	PPVVMYW 	C45H62N8O9S	890.4361	NA	PeJP	NA	NA
+PJ068223	APHHHHR 	C38H54N18O8	890.4372	NA	PeJP	NA	NA
+PJ068224	TTLLEEW 	C41H62N8O14	890.4386	NA	PeJP	NA	NA
+PJ068225	GDKEMRR 	C34H62N14O12S	890.4393	NA	PeJP	NA	NA
+PJ068226	PTLLMMW 	C42H66N8O9S2	890.4395	NA	PeJP	NA	NA
+PJ068227	SKERWW 	C42H58N12O10	890.4399	NA	PeJP	NA	NA
+PJ068228	SPTTLLEM 	C38H66N8O14S	890.4419	NA	PeJP	NA	NA
+PJ068229	LLKEEEM 	C38H66N8O14S	890.442	NA	PeJP	NA	NA
+PJ068230	GPVLLMMM 	C39H70N8O9S3	890.4428	NA	PeJP	NA	NA
+PJ068231	AAKEMRW 	C39H62N12O10S	890.4433	NA	PeJP	NA	NA
+PJ068232	SVKWWW 	C47H58N10O8	890.4439	NA	PeJP	NA	NA
+PJ068233	GAPKFWW 	C47H58N10O8	890.444	NA	PeJP	NA	NA
+MJ097041	Mycinamycin XI 	C42H70N2O16S	890.444604	NA	MeJP	NA	NA
+PJ068234	SDKKEER 	C35H62N12O15	890.4458	NA	PeJP	NA	NA
+PJ068235	PTQKMMR 	C36H66N12O10S2	890.4467	NA	PeJP	NA	NA
+PJ068236	GNNQFRR 	C36H58N16O11	890.4471	NA	PeJP	NA	NA
+PJ068237	GGGGGQFRR 	C36H58N16O11	890.4472	NA	PeJP	NA	NA
+PJ068238	LQKMWW 	C44H62N10O8S	890.4473	NA	PeJP	NA	NA
+MJ097042	Antibiotic MM 46115 	C50H67ClN2O10	890.448424	NA	MeJP	NA	NA
+PJ068239	ATKKEEW 	C40H62N10O13	890.4498	NA	PeJP	NA	NA
+PJ068240	GSEMRRR 	C33H62N16O11S	890.4505	NA	PeJP	NA	NA
+PJ068241	APKKMMW 	C41H66N10O8S2	890.4507	NA	PeJP	NA	NA
+PJ068242	STRRWW 	C41H58N14O9	890.4512	NA	PeJP	NA	NA
+PJ068243	TLLEEMR 	C37H66N10O13S	890.4532	NA	PeJP	NA	NA
+PJ068244	APLLEYW 	C45H62N8O11	890.4538	NA	PeJP	NA	NA
+PJ068245	AAPPLEFF 	C45H62N8O11	890.4539	NA	PeJP	NA	NA
+PJ068246	PLLMMMR 	C38H70N10O8S3	890.4541	NA	PeJP	NA	NA
+PJ068247	DKMRRW 	C38H62N14O9S	890.4545	NA	PeJP	NA	NA
+PJ068248	LLHHWW 	C46H58N12O7	890.4552	NA	PeJP	NA	NA
+PJ068249	SSKEERR 	C34H62N14O14	890.457	NA	PeJP	NA	NA
+PJ068250	SLLLEMW 	C42H66N8O11S	890.4572	NA	PeJP	NA	NA
+PJ068251	GLQMMRR 	C35H66N14O9S2	890.4579	NA	PeJP	NA	NA
+PJ068252	GTQHHRR 	C35H58N18O10	890.4584	NA	PeJP	NA	NA
+PJ068253	CLKRWW 	C43H62N12O7S	890.4586	NA	PeJP	NA	NA
+PJ068254	SSTLLLEE 	C38H66N8O16	890.4597	NA	PeJP	NA	NA
+PJ068255	AALLLEMM 	C39H70N8O11S2	890.4606	NA	PeJP	NA	NA
+PJ068256	ATTKERW 	C39H62N12O12	890.461	NA	PeJP	NA	NA
+PJ068257	GGTTTLRW 	C39H62N12O12	890.4611	NA	PeJP	NA	NA
+PJ068258	QKHHRW 	C40H58N16O8	890.4624	NA	PeJP	NA	NA
+PJ068259	AKKEEMR 	C36H66N12O12S	890.4644	NA	PeJP	NA	NA
+PJ068260	GTTLKWW 	C44H62N10O10	890.4651	NA	PeJP	NA	NA
+PJ068261	SMRRRW 	C37H62N16O8S	890.4658	NA	PeJP	NA	NA
+MJ097043	Antibiotic PF 1025 	C47H70O16	890.466386	NA	MeJP	NA	NA
+MJ097044	Desfontainic acid 	C47H70O16	890.466386	NA	MeJP	NA	NA
+PJ068262	SSTERRR 	C33H62N16O13	890.4683	NA	PeJP	NA	NA
+PJ068263	PTTKKMW 	C41H66N10O10S	890.4684	NA	PeJP	NA	NA
+PJ068264	GLKKEMW 	C41H66N10O10S	890.4685	NA	PeJP	NA	NA
+PJ068265	PPVVFFW 	C49H62N8O8	890.4691	NA	PeJP	NA	NA
+PJ068266	TKKKEEE 	C37H66N10O15	890.4709	NA	PeJP	NA	NA
+PJ068267	GSTLKKEE 	C37H66N10O15	890.471	NA	PeJP	NA	NA
+PJ068268	VLLEMMR 	C38H70N10O10S2	890.4718	NA	PeJP	NA	NA
+PJ068269	SSSLRRW 	C38H62N14O11	890.4723	NA	PeJP	NA	NA
+PJ068270	PVVLMFW 	C46H66N8O8S	890.4725	NA	PeJP	NA	NA
+MJ097045	N-Deacyltunicamycin; N4''-(3-Hydroxy-16-methylheptadecanoyl) 	C41H70N4O17	890.473596	NA	MeJP	NA	NA
+PJ068271	PLLKEEY 	C42H66N8O13	890.475	NA	PeJP	NA	NA
+PJ068272	STLQMRR 	C35H66N14O11S	890.4756	NA	PeJP	NA	NA
+PJ068273	ATKEMRR 	C35H66N14O11S	890.4757	NA	PeJP	NA	NA
+PJ068274	VVLLMMW 	C43H70N8O8S2	890.4758	NA	PeJP	NA	NA
+PJ068275	AAPKRYW 	C43H62N12O9	890.4763	NA	PeJP	NA	NA
+PJ068276	ATTLLLEM 	C39H70N8O13S	890.4783	NA	PeJP	NA	NA
+PJ068277	GTLKMRW 	C40H66N12O9S	890.4797	NA	PeJP	NA	NA
+PJ068278	PKKFWW 	C48H62N10O7	890.4803	NA	PeJP	NA	NA
+PJ068279	TTKKEER 	C36H66N12O14	890.4822	NA	PeJP	NA	NA
+PJ068280	VVQKMMR 	C37H70N12O9S2	890.483	NA	PeJP	NA	NA
+PJ068281	PTKKMMR 	C37H70N12O9S2	890.4831	NA	PeJP	NA	NA
+PJ068282	GSPRRRY 	C37H62N16O10	890.4835	NA	PeJP	NA	NA
+PJ068283	LKKMWW 	C45H66N10O7S	890.4837	NA	PeJP	NA	NA
+PJ068284	STLKKEW 	C41H66N10O12	890.4862	NA	PeJP	NA	NA
+PJ068285	ATTMRRR 	C34H66N16O10S	890.4869	NA	PeJP	NA	NA
+PJ068286	VQFRRW 	C42H62N14O8	890.4875	NA	PeJP	NA	NA
+MJ097046	3,14-Clerodadiene-6,13-diol, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-[?-D-fucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-D-fucopyranoside 	C44H74O18	890.487515	NA	MeJP	NA	NA
+MJ097047	3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Fucopyranosyl-(1?2)-[?-D-fucopyranosyl-(1?4)]-?-L-rhamnopyranoside], 13-O-?-D-fucopyranoside 	C44H74O18	890.487515	NA	MeJP	NA	NA
+PJ068287	GGLFRRW 	C42H62N14O8	890.4876	NA	PeJP	NA	NA
+PJ068288	VKKKEEM 	C38H70N10O12S	890.4896	NA	PeJP	NA	NA
+PJ068289	SPLLLYW 	C46H66N8O10	890.4902	NA	PeJP	NA	NA
+PJ068290	GPKMFRR 	C39H66N14O8S	890.4909	NA	PeJP	NA	NA
+PJ068291	TTTKERR 	C35H66N14O13	890.4934	NA	PeJP	NA	NA
+PJ068292	AAPLLLMY 	C43H70N8O10S	890.4936	NA	PeJP	NA	NA
+PJ068293	GLKMMRR 	C36H70N14O8S2	890.4943	NA	PeJP	NA	NA
+PJ068294	GTKHHRR 	C36H62N18O9	890.4948	NA	PeJP	NA	NA
+PJ068295	TTTTLLLE 	C39H70N8O15	890.4961	NA	PeJP	NA	NA
+PJ068296	GTLLLLMM 	C40H74N8O10S2	890.497	NA	PeJP	NA	NA
+PJ068297	STTLKRW 	C40H66N12O11	890.4974	NA	PeJP	NA	NA
+PJ068298	GGGGVLLRY 	C40H66N12O11	890.4975	NA	PeJP	NA	NA
+PJ068299	AFRRRW 	C41H62N16O7	890.4988	NA	PeJP	NA	NA
+PJ068300	SLKKEMR 	C37H70N12O11S	890.5008	NA	PeJP	NA	NA
+PJ068301	GPLKKYW 	C45H66N10O9	890.5015	NA	PeJP	NA	NA
+MJ097048	Avermectin B1a; 22,23-Dihydro, 23S-hydroxy 	C48H74O15	890.502771	NA	MeJP	NA	NA
+MJ097049	Avermectin B1b; 22,23-Dihydro, 23S-hydroxy, O5-Me 	C48H74O15	890.502771	NA	MeJP	NA	NA
+C11960	Avermectin A2b	C48H74O15	890.5028	NA	KEGG	NA	NA
+C11975	Avermectin B2a	C48H74O15	890.5028	NA	KEGG	NA	NA
+PJ068302	TTTTRRR 	C34H66N16O12	890.5046	NA	PeJP	NA	NA
+PJ068303	SVLKKMW 	C42H70N10O9S	890.5048	NA	PeJP	NA	NA
+PJ068304	SSSLLKKE 	C38H70N10O14	890.5073	NA	PeJP	NA	NA
+PJ068305	LLQKKMM 	C39H74N10O9S2	890.5082	NA	PeJP	NA	NA
+PJ068306	APTKRRY 	C39H66N14O10	890.5087	NA	PeJP	NA	NA
+PJ068307	LLLLQEY 	C43H70N8O12	890.5113	NA	PeJP	NA	NA
+PJ068308	GALLLLEY 	C43H70N8O12	890.5114	NA	PeJP	NA	NA
+PJ068309	STLKMRR 	C36H70N14O10S	890.512	NA	PeJP	NA	NA
+PJ068310	GGSKKKMR 	C36H70N14O10S	890.5121	NA	PeJP	NA	NA
+PJ068311	AALKFRW 	C44H66N12O8	890.5127	NA	PeJP	NA	NA
+PJ068312	STTLLLLM 	C40H74N8O12S	890.5147	NA	PeJP	NA	NA
+MJ097050	Kulokainalide 1 	C48H70N6O10	890.515342	NA	MeJP	NA	NA
+PJ068313	ACKKKKW 	C41H70N12O8S	890.5161	NA	PeJP	NA	NA
+PJ068314	SSSTLLKR 	C37H70N12O13	890.5186	NA	PeJP	NA	NA
+PJ068315	VVKKMMR 	C38H74N12O8S2	890.5194	NA	PeJP	NA	NA
+MetaCyc04249	tetrahydrogeranylgeranyl-chlorophyll a [tetrahydroGG-chlorophyll a;tetrahydroGG-chl a;tetrahydrogeranylgeranyl-chl a;]	C55H70N4O5MG1	890.519663	NA	metacyc	NA	NA
+C11850	Divinylchlorophyll a	C55H70MgN4O5	890.5197	NA	KEGG	NA	NA
+PJ068316	LQRRRY 	C38H66N16O9	890.5199	NA	PeJP	NA	NA
+PJ068317	VVLLERY 	C42H70N10O11	890.5226	NA	PeJP	NA	NA
+PJ068318	VKFRRW 	C43H66N14O7	890.5239	NA	PeJP	NA	NA
+PJ068319	GTTLLKKM 	C39H74N10O11S	890.526	NA	PeJP	NA	NA
+PJ068320	ALLLLYW 	C47H70N8O9	890.5266	NA	PeJP	NA	NA
+PJ068321	GSSTKKKR 	C36H70N14O12	890.5298	NA	PeJP	NA	NA
+PJ068322	AALLLLMF 	C44H74N8O9S	890.53	NA	PeJP	NA	NA
+PJ068323	TFRRRR 	C37H66N18O8	890.5311	NA	PeJP	NA	NA
+PJ068324	GPLHRRR 	C37H66N18O8	890.5312	NA	PeJP	NA	NA
+PJ068325	SSKKKKW 	C41H70N12O10	890.5338	NA	PeJP	NA	NA
+PJ068326	TQKKKKM 	C38H74N12O10S	890.5372	NA	PeJP	NA	NA
+PJ068327	AVLKKFW 	C46H70N10O8	890.5378	NA	PeJP	NA	NA
+PJ068328	GLLKKFW 	C46H70N10O8	890.5379	NA	PeJP	NA	NA
+PJ068329	VLLLMFR 	C43H74N10O8S	890.5412	NA	PeJP	NA	NA
+PJ068330	STTTLLKK 	C39H74N10O13	890.5437	NA	PeJP	NA	NA
+PJ068331	LLKKKMM 	C40H78N10O8S2	890.5446	NA	PeJP	NA	NA
+PJ068332	GVLKRRY 	C40H70N14O9	890.5451	NA	PeJP	NA	NA
+PJ068333	LLLLKEY 	C44H74N8O11	890.5477	NA	PeJP	NA	NA
+PJ068334	PPPLLLLE 	C44H74N8O11	890.5478	NA	PeJP	NA	NA
+PJ068335	TCKKKKR 	C37H74N14O9S	890.5484	NA	PeJP	NA	NA
+MJ097051	Gnidilatin; 20-Hexadecanoyl 	C53H78O11	890.554413	NA	MeJP	NA	NA
+MJ097052	Kraussianin; 28-Deoxy, 3-debenzoyl, 3-ketone, 18-benzoyloxy, 20-hexadecanoyl 	C53H78O11	890.554413	NA	MeJP	NA	NA
+PJ068336	ASTTKKKK 	C38H74N12O12	890.5549	NA	PeJP	NA	NA
+PJ068337	GTTTKKKK 	C38H74N12O12	890.555	NA	PeJP	NA	NA
+PJ068338	LKRRRY 	C39H70N16O8	890.5563	NA	PeJP	NA	NA
+PJ068339	TLLLLRY 	C43H74N10O10	890.559	NA	PeJP	NA	NA
+PJ068340	ALLKKRY 	C42H74N12O9	890.5702	NA	PeJP	NA	NA
+PJ068341	TKKKKKM 	C39H78N12O9S	890.5736	NA	PeJP	NA	NA
+PJ068342	GKKKKFR 	C41H74N14O8	890.5814	NA	PeJP	NA	NA
+HMDB09791	PI(16:0/22:2(13Z,16Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09812	PI(18:0/20:2(11Z,14Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09829	PI(18:1(11Z)/20:1(11Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09841	PI(18:1(9Z)/20:1(11Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09851	PI(18:2(9Z,12Z)/20:0)	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09867	PI(20:0/18:2(9Z,12Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09870	PI(20:1(11Z)/18:1(11Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09871	PI(20:1(11Z)/18:1(9Z))	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09876	PI(20:2(11Z,14Z)/18:0)	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+HMDB09905	PI(22:2(13Z,16Z)/16:0)	C47H87O13P	890.58844	NA	HMDB2010	NA	NA
+PJ068343	VLLKKKY 	C44H78N10O9	890.5954	NA	PeJP	NA	NA
+PJ068344	PPLLLLLL 	C46H82N8O9	890.6205	NA	PeJP	NA	NA
+MJ097053	Glycerol trioctadecanoate 	C57H110O6	890.830241	NA	MeJP	NA	NA
+HMDB05393	TG(18:0/18:0/18:0)	C57H110O6	890.83026	http://www.hmdb.ca/metabolites/HMDB05393	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05366	TG(16:0/18:0/20:0)[iso6]	C57H110O6	890.83026	http://www.hmdb.ca/metabolites/HMDB05366	HMDB	NA	NA
+HMDB05393	TG(18:0/18:0/18:0)	C57H110O6	890.83026	http://www.hmdb.ca/metabolites/HMDB05393	HMDB	NA	NA
+HMDB05393	TG(18:0/18:0/18:0)	C57H110O6	890.83026	http://www.hmdb.ca/metabolites/HMDB05393	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05366	TG(16:0/18:0/20:0)[iso6]	C57H110O6	890.83026	HMDB05366	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05393	TG(18:0/18:0/18:0)	C57H110O6	890.83026	HMDB05393	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05366	TG(16:0/18:0/20:0)[iso6]	C57H110O6	890.830261	NA	HMDB2010	NA	NA
+HMDB05393	TG(18:0/18:0/18:0)	C57H110O6	890.830261	NA	HMDB2010	NA	NA
+C06749	6-Hydroxycyclohex-1-enecarbonyl-CoA	C28H44N7O18P3S	891.1676	NA	KEGG	NA	NA
+C06750	(1,4)-beta-D-Glucuronan	C28H44N7O18P3S	891.1676	NA	KEGG	NA	NA
+C09813	2-Ketocyclohexane-1-carboxyl-CoA	C28H44N7O18P3S	891.1676	NA	KEGG	NA	NA
+C16471	5-Methyl-3-oxo-4-hexenoyl-CoA	C28H44N7O18P3S	891.1676	NA	KEGG	NA	NA
+MetaCyc04250	6-hydroxycyclohex-1-enecarbonyl-CoA [6-hydroxycyclohex-1-ene-1-carboxyl-CoA;]	C28H44N7O18P3S1	891.167638	NA	metacyc	NA	NA
+MetaCyc04251	2-ketocyclohexane-1-carboxyl-CoA [2-ketocyclohexane-1-carbonyl-CoA;]	C28H44N7O18P3S1	891.167638	NA	metacyc	NA	NA
+MetaCyc04252	6-hydroxycyclohex-1-ene-1-carboxyl-CoA [6-hydroxycyclohex-1-ene-1-carbonyl-CoA;]	C28H44N7O18P3S1	891.167638	NA	metacyc	NA	NA
+HMDB12179	6-Hydroxycyclohex-1-ene-1-carboxyl-CoA	C28H44N7O18P3S	891.167664	NA	HMDB2010	NA	NA
+PJ068345	CCCCCNDE 	C28H45N9O14S5	891.169	NA	PeJP	NA	NA
+PJ068346	GCCCCCDW 	C32H45N9O11S5	891.1843	NA	PeJP	NA	NA
+PJ068347	GSSCCCCDD 	C28H45N9O16S4	891.1868	NA	PeJP	NA	NA
+PJ068348	GPTCCCCCC 	C29H49N9O11S6	891.1876	NA	PeJP	NA	NA
+C05276	trans-Oct-2-enoyl-CoA	C29H48N7O17P3S	891.204	NA	KEGG	NA	NA
+C05278	(R)-3-Hydroxycapryloyl-CoA	C29H48N7O17P3S	891.204	NA	KEGG	NA	NA
+HMDB02992	S-2-Octenoate coenzyme A	C29H48N7O17P3S	891.20404	http://www.hmdb.ca/metabolites/HMDB02992	HMDB	NA	NA
+HMDB03949	(2E)-Octenoyl-CoA	C29H48N7O17P3S	891.20404	http://www.hmdb.ca/metabolites/HMDB03949	HMDB	NA	NA
+HMDB02992	S-2-Octenoate coenzyme A	C29H48N7O17P3S	891.20404	HMDB02992	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03949	(2E)-Octenoyl-CoA	C29H48N7O17P3S	891.20404	HMDB03949	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02992	S-2-Octenoyl CoA	C29H48N7O17P3S	891.204041	NA	HMDB2010	NA	NA
+HMDB03949	(2E)-Octenoyl-CoA	C29H48N7O17P3S	891.204041	NA	HMDB2010	NA	NA
+PJ068349	SCCCCNEM 	C29H49N9O13S5	891.2054	NA	PeJP	NA	NA
+PJ068350	SCCCCCDR 	C28H49N11O12S5	891.2166	NA	PeJP	NA	NA
+PJ068351	GCCCNDDY 	C32H45N9O15S3	891.2198	NA	PeJP	NA	NA
+PJ068352	GSCCCCMW 	C33H49N9O10S5	891.2206	NA	PeJP	NA	NA
+PJ068353	GSSSCCCDM 	C29H49N9O15S4	891.2231	NA	PeJP	NA	NA
+PJ068354	GCCCNMMM 	C30H53N9O10S6	891.224	NA	PeJP	NA	NA
+PJ068355	ACCCCCMR 	C29H53N11O9S6	891.2352	NA	PeJP	NA	NA
+PJ068356	SSTCCCCW 	C33H49N9O12S4	891.2384	NA	PeJP	NA	NA
+PJ068357	SSSSSCCCE 	C29H49N9O17S3	891.2409	NA	PeJP	NA	NA
+PJ068358	SSCCCQMM 	C30H53N9O12S5	891.2418	NA	PeJP	NA	NA
+PJ068359	CDDDMMY 	C34H49N7O15S3	891.2449	NA	PeJP	NA	NA
+PJ068360	GCCNDDEH 	C31H45N11O16S2	891.2488	NA	PeJP	NA	NA
+PJ068361	CDMMMMM 	C32H57N7O10S6	891.2492	NA	PeJP	NA	NA
+PJ068362	SSCCCCMR 	C29H53N11O11S5	891.253	NA	PeJP	NA	NA
+PJ068363	CCCCQFW 	C37H49N9O9S4	891.2536	NA	PeJP	NA	NA
+PJ068364	GACCCCFW 	C37H49N9O9S4	891.2537	NA	PeJP	NA	NA
+PJ068365	GSCCNDMY 	C33H49N9O14S3	891.2561	NA	PeJP	NA	NA
+PJ068366	GGGSCCDMY 	C33H49N9O14S3	891.2562	NA	PeJP	NA	NA
+PJ068367	CDDDDFY 	C37H45N7O17S	891.2593	NA	PeJP	NA	NA
+PJ068368	GSSSSCCMM 	C30H53N9O14S4	891.2595	NA	PeJP	NA	NA
+PJ068369	ACCCCKMM 	C31H57N9O9S6	891.2604	NA	PeJP	NA	NA
+PJ068370	CDDMMMF 	C35H53N7O12S4	891.2635	NA	PeJP	NA	NA
+PJ068371	CCNDDHW 	C35H45N11O13S2	891.264	NA	PeJP	NA	NA
+PJ068372	SSCNDDDH 	C31H45N11O18S	891.2665	NA	PeJP	NA	NA
+PJ068373	SPCCCNEH 	C32H49N11O13S3	891.2674	NA	PeJP	NA	NA
+PJ068374	CCMMMHH 	C33H53N11O8S5	891.2683	NA	PeJP	NA	NA
+PJ068375	SCCCQYW 	C37H49N9O11S3	891.2714	NA	PeJP	NA	NA
+PJ068376	SPNDDDDD 	C32H45N9O21	891.273	NA	PeJP	NA	NA
+PJ068377	SSSCCNEY 	C33H49N9O16S2	891.2739	NA	PeJP	NA	NA
+PJ068378	CCNQMMY 	C34H53N9O11S4	891.2748	NA	PeJP	NA	NA
+PJ068379	SDDDDYY 	C37H45N7O19	891.2771	NA	PeJP	NA	NA
+PJ068380	SSSSSTCCM 	C30H53N9O16S3	891.2773	NA	PeJP	NA	NA
+PJ068381	PCCDEYY 	C38H49N7O14S2	891.2779	NA	PeJP	NA	NA
+PJ068382	SSCCCKMM 	C31H57N9O11S5	891.2781	NA	PeJP	NA	NA
+PJ068383	GCCNNNMH 	C31H49N13O12S3	891.2786	NA	PeJP	NA	NA
+PJ068384	SDDMMMY 	C35H53N7O14S3	891.2813	NA	PeJP	NA	NA
+PJ068385	GSPCCCHW 	C36H49N11O10S3	891.2826	NA	PeJP	NA	NA
+PJ068386	GNNNDDDE 	C31H45N11O20	891.2843	NA	PeJP	NA	NA
+PJ068387	GSCNDEMH 	C32H49N11O15S2	891.2851	NA	PeJP	NA	NA
+PJ068388	GGGSCDEMH 	C32H49N11O15S2	891.2852	NA	PeJP	NA	NA
+PJ068389	SMMMMMM 	C33H61N7O9S6	891.2855	NA	PeJP	NA	NA
+PJ068390	CCCNMRY 	C33H53N11O10S4	891.286	NA	PeJP	NA	NA
+PJ068391	DDDDEHF 	C36H45N9O18	891.2883	NA	PeJP	NA	NA
+PJ068392	GSSSCCYW 	C37H49N9O13S2	891.2892	NA	PeJP	NA	NA
+PJ068393	CCCCKFW 	C38H53N9O8S4	891.29	NA	PeJP	NA	NA
+PJ068394	GSSSSSCDY 	C33H49N9O18S	891.2917	NA	PeJP	NA	NA
+PJ068395	GSSCNMMY 	C34H53N9O13S3	891.2925	NA	PeJP	NA	NA
+PJ068396	CDDEHHH 	C34H45N13O14S	891.293	NA	PeJP	NA	NA
+PJ068397	GDDEMYY 	C38H49N7O16S	891.2957	NA	PeJP	NA	NA
+PJ068398	GSCCDDHR 	C31H49N13O14S2	891.2964	NA	PeJP	NA	NA
+PJ068399	PCCEMFY 	C39H53N7O11S3	891.2966	NA	PeJP	NA	NA
+PJ068400	APCCCCHR 	C32H53N13O9S4	891.2973	NA	PeJP	NA	NA
+MJ097054	Antibiotic A 6067 	C42H53NO18S	891.298334	NA	MeJP	NA	NA
+PJ068401	NNNDDDW 	C35H45N11O17	891.2995	NA	PeJP	NA	NA
+PJ068402	GGGGGGDDDW 	C35H45N11O17	891.2996	NA	PeJP	NA	NA
+PJ068403	GEMMMMY 	C36H57N7O11S4	891.2999	NA	PeJP	NA	NA
+PJ068404	SCNDMHW 	C36H49N11O12S2	891.3004	NA	PeJP	NA	NA
+PJ068405	GPCDDDDR 	C32H49N11O17S	891.3029	NA	PeJP	NA	NA
+PJ068406	GSTCCCRY 	C33H53N11O12S3	891.3038	NA	PeJP	NA	NA
+PJ068407	GCCNFYW 	C41H49N9O10S2	891.3044	NA	PeJP	NA	NA
+PJ068408	PNDDDMW 	C37H49N9O15S	891.3069	NA	PeJP	NA	NA
+PJ068409	SCCCKYW 	C38H53N9O10S3	891.3078	NA	PeJP	NA	NA
+PJ068410	NNEEEEE 	C33H49N9O20	891.3094	NA	PeJP	NA	NA
+PJ068411	SSSSCQMY 	C34H53N9O15S2	891.3103	NA	PeJP	NA	NA
+PJ068412	DDMYYW 	C42H49N7O13S	891.3109	NA	PeJP	NA	NA
+PJ068413	CCNKMMY 	C35H57N9O10S4	891.3112	NA	PeJP	NA	NA
+PJ068414	SSDEEYY 	C38H49N7O18	891.3134	NA	PeJP	NA	NA
+PJ068415	GSSSSCNNH 	C31H49N13O16S	891.3141	NA	PeJP	NA	NA
+PJ068416	GGGGGGGNNDM 	C31H49N13O16S	891.3142	NA	PeJP	NA	NA
+PJ068417	SPCEMYY 	C39H53N7O13S2	891.3143	NA	PeJP	NA	NA
+PJ068418	CCNEMHR 	C32H53N13O11S3	891.315	NA	PeJP	NA	NA
+PJ068419	MMMMYW 	C40H57N7O8S4	891.3152	NA	PeJP	NA	NA
+PJ068420	ASCCHWW 	C40H49N11O9S2	891.3156	NA	PeJP	NA	NA
+PJ068421	GTCCHWW 	C40H49N11O9S2	891.3157	NA	PeJP	NA	NA
+MJ097055	Perdeacyleuojaponin; 9-(2-Acetoxy-2-methylpropanoyl), 1,2,6,8,14-penta-Ac 	C42H53NO20	891.316093	NA	MeJP	NA	NA
+PJ068422	PEEEEEM 	C35H53N7O18S	891.3168	NA	PeJP	NA	NA
+PJ068423	STEMMMY 	C36H57N7O13S3	891.3177	NA	PeJP	NA	NA
+PJ068424	GSSSCEHW 	C36H49N11O14S	891.3182	NA	PeJP	NA	NA
+PJ068425	AMMMMMF 	C37H61N7O8S5	891.3186	NA	PeJP	NA	NA
+PJ068426	GCQMMHW 	C37H53N11O9S3	891.319	NA	PeJP	NA	NA
+PJ068427	GSSSSSDEH 	C32H49N11O19	891.3206	NA	PeJP	NA	NA
+PJ068428	NDDDEER 	C32H49N11O19	891.3207	NA	PeJP	NA	NA
+PJ068429	SSSSCCRY 	C33H53N11O14S2	891.3215	NA	PeJP	NA	NA
+PJ068430	GGGGGGAPCEM 	C33H53N11O14S2	891.3216	NA	PeJP	NA	NA
+PJ068431	GPCDEWW 	C41H49N9O12S	891.3222	NA	PeJP	NA	NA
+PJ068432	APCCCKMH 	C34H57N11O9S4	891.3224	NA	PeJP	NA	NA
+PJ068433	CNNMHHH 	C34H49N15O10S2	891.3229	NA	PeJP	NA	NA
+PJ068434	GNEEEEW 	C37H49N9O17	891.3247	NA	PeJP	NA	NA
+PJ068435	GNNMMYY 	C38H53N9O12S2	891.3255	NA	PeJP	NA	NA
+PJ068436	GSPPCDMW 	C38H53N9O12S2	891.3256	NA	PeJP	NA	NA
+PJ068437	CCCDHRR 	C31H53N15O10S3	891.3262	NA	PeJP	NA	NA
+PJ068438	GSSSSSSMY 	C34H53N9O17S	891.328	NA	PeJP	NA	NA
+PJ068439	GSPNEEEM 	C34H53N9O17S	891.3281	NA	PeJP	NA	NA
+PJ068440	GPDDYYY 	C42H49N7O15	891.3287	NA	PeJP	NA	NA
+PJ068441	GSTCCKMY 	C35H57N9O12S3	891.3289	NA	PeJP	NA	NA
+PJ068442	CNNNNQW 	C35H49N13O13S	891.3294	NA	PeJP	NA	NA
+PJ068443	DMMFYW 	C43H53N7O10S2	891.3296	NA	PeJP	NA	NA
+PJ068444	GCCMHRW 	C36H53N13O8S3	891.3303	NA	PeJP	NA	NA
+PJ068445	GSNNDDDR 	C31H49N13O18	891.3319	NA	PeJP	NA	NA
+PJ068446	GTEEMYY 	C39H53N7O15S	891.3321	NA	PeJP	NA	NA
+PJ068447	GSSCDMHR 	C32H53N13O13S2	891.3328	NA	PeJP	NA	NA
+PJ068448	GPMMMYY 	C40H57N7O10S3	891.3329	NA	PeJP	NA	NA
+PJ068449	SSSCHWW 	C40H49N11O11S	891.3334	NA	PeJP	NA	NA
+PJ068450	VEEEEEE 	C35H53N7O20	891.3346	NA	PeJP	NA	NA
+PJ068451	GDDDERW 	C36H49N11O16	891.3359	NA	PeJP	NA	NA
+PJ068452	SVMMMMY 	C37H61N7O10S4	891.3363	NA	PeJP	NA	NA
+PJ068453	SSNMMHW 	C37H53N11O11S2	891.3368	NA	PeJP	NA	NA
+PJ068454	PCDWWW 	C45H49N9O9S	891.3374	NA	PeJP	NA	NA
+PJ068455	GSPDDDMR 	C33H53N11O16S	891.3393	NA	PeJP	NA	NA
+PJ068456	NEEEWW 	C41H49N9O14	891.3399	NA	PeJP	NA	NA
+PJ068457	SQQMMMH 	C34H57N11O11S3	891.3401	NA	PeJP	NA	NA
+PJ068458	GPPCCEMR 	C34H57N11O11S3	891.3402	NA	PeJP	NA	NA
+PJ068459	GSSCQHHH 	C34H49N15O12S	891.3406	NA	PeJP	NA	NA
+PJ068460	GGGGGGGPCHH 	C34H49N15O12S	891.3407	NA	PeJP	NA	NA
+PJ068461	PPTCCWW 	C42H53N9O9S2	891.3408	NA	PeJP	NA	NA
+PJ068462	SPNEEMW 	C38H53N9O14S	891.3433	NA	PeJP	NA	NA
+PJ068463	DDFFYW 	C46H49N7O12	891.344	NA	PeJP	NA	NA
+PJ068464	PPCQMMW 	C39H57N9O9S3	891.3442	NA	PeJP	NA	NA
+PJ068465	PCDHHHF 	C39H49N13O10S	891.3446	NA	PeJP	NA	NA
+PJ068466	SSSSSSSTY 	C34H53N9O19	891.3458	NA	PeJP	NA	NA
+PJ068467	SSSSCKMY 	C35H57N9O14S2	891.3467	NA	PeJP	NA	NA
+PJ068468	GSSNNNNW 	C35H49N13O15	891.3471	NA	PeJP	NA	NA
+PJ068469	GGGGGSSNNW 	C35H49N13O15	891.3472	NA	PeJP	NA	NA
+PJ068470	TEMYYW 	C43H53N7O12S	891.3473	NA	PeJP	NA	NA
+PJ068471	STCCHRW 	C36H53N13O10S2	891.348	NA	PeJP	NA	NA
+PJ068472	MMMFFW 	C44H57N7O7S3	891.3482	NA	PeJP	NA	NA
+PJ068473	CNHFWW 	C44H49N11O8S	891.3487	NA	PeJP	NA	NA
+PJ068474	STTEEYY 	C39H53N7O17	891.3498	NA	PeJP	NA	NA
+PJ068475	SSSSCEHR 	C32H53N13O15S	891.3505	NA	PeJP	NA	NA
+PJ068476	GGGGGGGGGGATM 	C32H53N13O15S	891.3506	NA	PeJP	NA	NA
+PJ068477	GVEMMYY 	C40H57N7O12S2	891.3507	NA	PeJP	NA	NA
+PJ068478	DDDRWW 	C40H49N11O13	891.3512	NA	PeJP	NA	NA
+PJ068479	SCQMMHR 	C33H57N13O10S3	891.3514	NA	PeJP	NA	NA
+PJ068480	ACMHHFF 	C41H53N11O8S2	891.352	NA	PeJP	NA	NA
+PJ068481	SPCDERW 	C37H53N11O13S	891.3545	NA	PeJP	NA	NA
+PJ068482	GGGGAQEMW 	C37H53N11O13S	891.3546	NA	PeJP	NA	NA
+PJ068483	GEEWWW 	C45H49N9O11	891.3552	NA	PeJP	NA	NA
+PJ068484	PPCCMRW 	C38H57N11O8S3	891.3554	NA	PeJP	NA	NA
+PJ068485	SNEEEER 	C33H53N11O18	891.357	NA	PeJP	NA	NA
+PJ068486	GGSEEEER 	C33H53N11O18	891.3571	NA	PeJP	NA	NA
+PJ068487	PNDEMMR 	C34H57N11O13S2	891.3579	NA	PeJP	NA	NA
+PJ068488	SSSSNHHH 	C34H49N15O14	891.3584	NA	PeJP	NA	NA
+PJ068489	GSPEMWW 	C42H53N9O11S	891.3586	NA	PeJP	NA	NA
+PJ068490	CCQKHHH 	C35H53N15O9S2	891.3592	NA	PeJP	NA	NA
+PJ068491	GACCKHHH 	C35H53N15O9S2	891.3593	NA	PeJP	NA	NA
+PJ068492	GSSSTQYY 	C38H53N9O16	891.361	NA	PeJP	NA	NA
+PJ068493	GDKEEEW 	C38H53N9O16	891.3611	NA	PeJP	NA	NA
+PJ068494	GSCNNNQR 	C31H53N15O14S	891.3617	NA	PeJP	NA	NA
+PJ068495	CNNDDRR 	C31H53N15O14S	891.3618	NA	PeJP	NA	NA
+PJ068496	APQEMMW 	C39H57N9O11S2	891.3619	NA	PeJP	NA	NA
+PJ068497	SPNDHHW 	C39H49N13O12	891.3624	NA	PeJP	NA	NA
+PJ068498	DMFFFW 	C47H53N7O9S	891.3626	NA	PeJP	NA	NA
+PJ068499	VQQEEEM 	C35H57N9O16S	891.3644	NA	PeJP	NA	NA
+PJ068500	GGGALEEEM 	C35H57N9O16S	891.3645	NA	PeJP	NA	NA
+PJ068501	GPTEYYY 	C43H53N7O14	891.3651	NA	PeJP	NA	NA
+PJ068502	TLEMMMH 	C36H61N9O11S3	891.3653	NA	PeJP	NA	NA
+PJ068503	GNNDMRW 	C36H53N13O12S	891.3658	NA	PeJP	NA	NA
+PJ068504	VMMYYW 	C44H57N7O9S2	891.3659	NA	PeJP	NA	NA
+PJ068505	GPMMFFY 	C44H57N7O9S2	891.366	NA	PeJP	NA	NA
+PJ068506	SNNWWW 	C44H49N11O10	891.3664	NA	PeJP	NA	NA
+PJ068507	GMHHHHH 	C37H49N17O8S	891.3671	NA	PeJP	NA	NA
+PJ068508	SDDDERR 	C32H53N13O17	891.3683	NA	PeJP	NA	NA
+PJ068509	SSLEMYY 	C40H57N7O14S	891.3684	NA	PeJP	NA	NA
+PJ068510	PCDDMRR 	C33H57N13O12S2	891.3691	NA	PeJP	NA	NA
+PJ068511	GGGSPCQMR 	C33H57N13O12S2	891.3692	NA	PeJP	NA	NA
+PJ068512	GLMMMFY 	C41H61N7O9S3	891.3693	NA	PeJP	NA	NA
+PJ068513	NQQMWW 	C41H53N11O10S	891.3698	NA	PeJP	NA	NA
+PJ068514	EWWWW 	C49H49N9O8	891.3704	NA	PeJP	NA	NA
+PJ068515	GSEEERW 	C37H53N11O15	891.3723	NA	PeJP	NA	NA
+PJ068516	GPDMMRW 	C38H57N11O10S2	891.3732	NA	PeJP	NA	NA
+PJ068517	GNNQHHW 	C38H49N15O11	891.3736	NA	PeJP	NA	NA
+PJ068518	GGGGGQHHW 	C38H49N15O11	891.3737	NA	PeJP	NA	NA
+PJ068519	SPMWWW 	C46H53N9O8S	891.3738	NA	PeJP	NA	NA
+PJ068520	AQEEEMR 	C34H57N11O15S	891.3757	NA	PeJP	NA	NA
+PJ068521	DKEEWW 	C42H53N9O13	891.3763	NA	PeJP	NA	NA
+PJ068522	GPPTCMMR 	C35H61N11O10S3	891.3765	NA	PeJP	NA	NA
+PJ068523	GGPPCCCKK 	C35H61N11O10S3	891.3766	NA	PeJP	NA	NA
+PJ068524	PCNEHHR 	C35H53N15O11S	891.377	NA	PeJP	NA	NA
+PJ068525	AAPMMWW 	C43H57N9O8S2	891.3772	NA	PeJP	NA	NA
+PJ068526	EHHHFW 	C43H49N13O9	891.3777	NA	PeJP	NA	NA
+PJ068527	SSSNNNNR 	C31H53N15O16	891.3795	NA	PeJP	NA	NA
+PJ068528	GLQEEMW 	C39H57N9O13S	891.3797	NA	PeJP	NA	NA
+PJ068529	PTYYYW 	C47H53N7O11	891.3803	NA	PeJP	NA	NA
+PJ068530	GSPCCNRR 	C32H57N15O11S2	891.3804	NA	PeJP	NA	NA
+PJ068531	PPCKMMW 	C40H61N9O8S3	891.3806	NA	PeJP	NA	NA
+PJ068532	CNQRWW 	C40H53N13O9S	891.381	NA	PeJP	NA	NA
+PJ068533	TQKEEEE 	C35H57N9O18	891.3822	NA	PeJP	NA	NA
+PJ068534	PQKEEMM 	C36H61N9O13S2	891.3831	NA	PeJP	NA	NA
+PJ068535	SSNNERW 	C36H53N13O14	891.3835	NA	PeJP	NA	NA
+PJ068536	GGGGGGPDRY 	C36H53N13O14	891.3836	NA	PeJP	NA	NA
+PJ068537	GPVMYYY 	C44H57N7O11S	891.3837	NA	PeJP	NA	NA
+PJ068538	VLMMMMH 	C37H65N9O8S4	891.3839	NA	PeJP	NA	NA
+PJ068539	GNMMHFR 	C37H57N13O9S2	891.3844	NA	PeJP	NA	NA
+PJ068540	STHHHHH 	C37H49N17O10	891.3849	NA	PeJP	NA	NA
+PJ068541	PLEEEEF 	C40H57N7O16	891.3862	NA	PeJP	NA	NA
+PJ068542	GDEEMRR 	C33H57N13O14S	891.3869	NA	PeJP	NA	NA
+PJ068543	ATLMMYY 	C41H61N7O11S2	891.3871	NA	PeJP	NA	NA
+C15927	Leucokinin I	C41H53N11O12	891.3875	NA	KEGG	NA	NA
+PJ068544	GSTQQWW 	C41H53N11O12	891.3875	NA	PeJP	NA	NA
+PJ068545	SEERWW 	C41H53N11O12	891.3876	NA	PeJP	NA	NA
+PJ068546	SCKMMHR 	C34H61N13O9S3	891.3878	NA	PeJP	NA	NA
+PJ068547	LLEEEEM 	C37H61N7O16S	891.3896	NA	PeJP	NA	NA
+PJ068548	AAEEMRW 	C38H57N11O12S	891.3909	NA	PeJP	NA	NA
+PJ068549	GGGGGGGPVMF 	C38H57N11O12S	891.391	NA	PeJP	NA	NA
+PJ068550	SVEWWW 	C46H53N9O10	891.3916	NA	PeJP	NA	NA
+PJ068551	GPCHHRW 	C39H53N15O8S	891.3923	NA	PeJP	NA	NA
+PJ068552	SDKEEER 	C34H57N11O17	891.3934	NA	PeJP	NA	NA
+PJ068553	PTQEMMR 	C35H61N11O12S2	891.3943	NA	PeJP	NA	NA
+PJ068554	NNNNNFR 	C35H53N15O13	891.3948	NA	PeJP	NA	NA
+PJ068555	LQEMWW 	C43H57N9O10S	891.3949	NA	PeJP	NA	NA
+PJ068556	GALEMWW 	C43H57N9O10S	891.395	NA	PeJP	NA	NA
+PJ068557	ACCHFRR 	C36H57N15O8S2	891.3956	NA	PeJP	NA	NA
+PJ068558	ATKEEEW 	C39H57N9O15	891.3974	NA	PeJP	NA	NA
+PJ068559	SVDKEEW 	C39H57N9O15	891.3975	NA	PeJP	NA	NA
+PJ068560	SNNDMRR 	C32H57N15O13S	891.3981	NA	PeJP	NA	NA
+PJ068561	GGGGSDMRR 	C32H57N15O13S	891.3982	NA	PeJP	NA	NA
+PJ068562	APKEMMW 	C40H61N9O10S2	891.3983	NA	PeJP	NA	NA
+PJ068563	GSSNRWW 	C40H53N13O11	891.3988	NA	PeJP	NA	NA
+PJ068564	VMFFYW 	C48H57N7O8S	891.399	NA	PeJP	NA	NA
+PJ068565	VQKEEEM 	C36H61N9O15S	891.4008	NA	PeJP	NA	NA
+PJ068566	AALEYYY 	C44H57N7O13	891.4015	NA	PeJP	NA	NA
+PJ068567	GPPTKMMM 	C37H65N9O10S3	891.4017	NA	PeJP	NA	NA
+PJ068568	ASNQMRW 	C37H57N13O11S	891.4021	NA	PeJP	NA	NA
+PJ068569	DEMRRW 	C37H57N13O11S	891.4022	NA	PeJP	NA	NA
+PJ068570	GLMMFFF 	C45H61N7O8S2	891.4023	NA	PeJP	NA	NA
+PJ068571	QQHFFW 	C45H53N11O9	891.4028	NA	PeJP	NA	NA
+PJ068572	ASSSQQER 	C33H57N13O16	891.4046	NA	PeJP	NA	NA
+PJ068573	SSEEERR 	C33H57N13O16	891.4047	NA	PeJP	NA	NA
+PJ068574	TTTLMYY 	C41H61N7O13S	891.4048	NA	PeJP	NA	NA
+PJ068575	SPDMMRR 	C34H61N13O11S2	891.4055	NA	PeJP	NA	NA
+PJ068576	GGGGGGLMMR 	C34H61N13O11S2	891.4056	NA	PeJP	NA	NA
+PJ068577	GDDHHRR 	C34H53N17O12	891.406	NA	PeJP	NA	NA
+PJ068578	VDMRWW 	C42H57N11O9S	891.4062	NA	PeJP	NA	NA
+PJ068579	APFWWW 	C50H53N9O7	891.4068	NA	PeJP	NA	NA
+PJ068580	ATTEERW 	C38H57N11O14	891.4087	NA	PeJP	NA	NA
+PJ068581	APTMMRW 	C39H61N11O9S2	891.4095	NA	PeJP	NA	NA
+PJ068582	PVTCMRW 	C39H61N11O9S2	891.4096	NA	PeJP	NA	NA
+PJ068583	QEHHRW 	C39H53N15O10	891.41	NA	PeJP	NA	NA
+PJ068584	ALMWWW 	C47H57N9O7S	891.4102	NA	PeJP	NA	NA
+PJ068585	SSTTTKMH 	C35H61N11O14S	891.412	NA	PeJP	NA	NA
+PJ068586	AKEEEMR 	C35H61N11O14S	891.4121	NA	PeJP	NA	NA
+PJ068587	GTTLEWW 	C43H57N9O12	891.4127	NA	PeJP	NA	NA
+PJ068588	PVQMMMR 	C36H65N11O9S3	891.4129	NA	PeJP	NA	NA
+PJ068589	GSCQRRW 	C36H57N15O10S	891.4134	NA	PeJP	NA	NA
+PJ068590	VQHHWW 	C44H53N13O8	891.414	NA	PeJP	NA	NA
+PJ068591	GGLHHWW 	C44H53N13O8	891.4141	NA	PeJP	NA	NA
+PJ068592	GSSSNERR 	C32H57N15O15	891.4159	NA	PeJP	NA	NA
+PJ068593	GLKEEMW 	C40H61N9O12S	891.4161	NA	PeJP	NA	NA
+PJ068594	VVYYYW 	C48H57N7O10	891.4167	NA	PeJP	NA	NA
+PJ068595	GNQMMRR 	C33H61N15O10S2	891.4168	NA	PeJP	NA	NA
+PJ068596	CNKRWW 	C41H57N13O8S	891.4174	NA	PeJP	NA	NA
+PJ068597	TKKEEEE 	C36H61N9O17	891.4186	NA	PeJP	NA	NA
+PJ068598	LLQQEMM 	C37H65N9O12S2	891.4194	NA	PeJP	NA	NA
+PJ068599	PKKEEMM 	C37H65N9O12S2	891.4195	NA	PeJP	NA	NA
+PJ068600	SSNDKRW 	C37H57N13O13	891.4199	NA	PeJP	NA	NA
+PJ068601	GGGGGGGGAAKF 	C37H57N13O13	891.42	NA	PeJP	NA	NA
+PJ068602	GVLMFYY 	C45H61N7O10S	891.4201	NA	PeJP	NA	NA
+PJ068603	ACKMHFR 	C38H61N13O8S2	891.4208	NA	PeJP	NA	NA
+PJ068604	PLLEEEY 	C41H61N7O15	891.4226	NA	PeJP	NA	NA
+PJ068605	ATEEMRR 	C34H61N13O13S	891.4233	NA	PeJP	NA	NA
+PJ068606	GSTQKWW 	C42H57N11O11	891.4239	NA	PeJP	NA	NA
+PJ068607	GGGGAPKYW 	C42H57N11O11	891.424	NA	PeJP	NA	NA
+PJ068608	APMMMRR 	C35H65N13O8S3	891.4242	NA	PeJP	NA	NA
+PJ068609	SPCHHRR 	C35H57N17O9S	891.4246	NA	PeJP	NA	NA
+PJ068610	AHHRWW 	C43H53N15O7	891.4253	NA	PeJP	NA	NA
+PJ068611	GTLEMRW 	C39H61N11O11S	891.4273	NA	PeJP	NA	NA
+PJ068612	TTLWWW 	C47H57N9O9	891.428	NA	PeJP	NA	NA
+PJ068613	TTKEEER 	C35H61N11O16	891.4298	NA	PeJP	NA	NA
+PJ068614	PTKEMMR 	C36H65N11O11S2	891.4307	NA	PeJP	NA	NA
+PJ068615	SSSNRRW 	C36H57N15O12	891.4311	NA	PeJP	NA	NA
+PJ068616	GGSSSRRW 	C36H57N15O12	891.4312	NA	PeJP	NA	NA
+PJ068617	LKEMWW 	C44H61N9O9S	891.4313	NA	PeJP	NA	NA
+PJ068618	VFFFFW 	C52H57N7O7	891.432	NA	PeJP	NA	NA
+3764	heparin-binding peptide	FACAAWQWRMKKLGA	891.4332	MH2+	Inhouse_peptide	NA	peptide
+PJ068619	STLKEEW 	C40H61N9O14	891.4338	NA	PeJP	NA	NA
+PJ068620	GGGALLEEF 	C40H61N9O14	891.4339	NA	PeJP	NA	NA
+PJ068621	SSQQMRR 	C33H61N15O12S	891.4345	NA	PeJP	NA	NA
+PJ068622	SPLKMMW 	C41H65N9O9S2	891.4347	NA	PeJP	NA	NA
+2571	VV-hemorphin-5	VVYPWTQ	891.435	antibacterial	Inhouse_peptide	NA	peptide
+PJ068623	PDRRYW 	C41H57N13O10	891.4352	NA	PeJP	NA	NA
+PJ068624	VKKEEEM 	C37H65N9O14S	891.4372	NA	PeJP	NA	NA
+PJ068625	GTLLYYY 	C45H61N7O12	891.4378	NA	PeJP	NA	NA
+PJ068626	AAPLKMMM 	C38H69N9O9S3	891.4381	NA	PeJP	NA	NA
+PJ068627	GSQKMRW 	C38H61N13O10S	891.4385	NA	PeJP	NA	NA
+PJ068628	GGGTKMRW 	C38H61N13O10S	891.4386	NA	PeJP	NA	NA
+PJ068629	PTFRWW 	C46H57N11O8	891.4392	NA	PeJP	NA	NA
+PJ068630	TTTEERR 	C34H61N13O15	891.441	NA	PeJP	NA	NA
+PJ068631	GGASSTKER 	C34H61N13O15	891.4411	NA	PeJP	NA	NA
+PJ068632	GLEMMRR 	C35H65N13O10S2	891.4419	NA	PeJP	NA	NA
+PJ068633	GTEHHRR 	C35H57N17O11	891.4424	NA	PeJP	NA	NA
+PJ068634	TLMRWW 	C43H61N11O8S	891.4426	NA	PeJP	NA	NA
+PJ068635	STTLERW 	C39H61N11O13	891.4451	NA	PeJP	NA	NA
+PJ068636	SSCQRRR 	C32H61N17O11S	891.4458	NA	PeJP	NA	NA
+PJ068637	GVLMMRW 	C40H65N11O8S2	891.4459	NA	PeJP	NA	NA
+PJ068638	NNFRRW 	C40H57N15O9	891.4464	NA	PeJP	NA	NA
+PJ068639	SLKEEMR 	C36H65N11O13S	891.4484	NA	PeJP	NA	NA
+PJ068640	GGDKKKEM 	C36H65N11O13S	891.4485	NA	PeJP	NA	NA
+PJ068641	SSTLLWW 	C44H61N9O11	891.4491	NA	PeJP	NA	NA
+PJ068642	PVKMMMR 	C37H69N11O8S3	891.4493	NA	PeJP	NA	NA
+PJ068643	GSCKRRW 	C37H61N15O9S	891.4498	NA	PeJP	NA	NA
+PJ068644	VKHHWW 	C45H57N13O7	891.4504	NA	PeJP	NA	NA
+PJ068645	GSSSDKRR 	C33H61N15O14	891.4523	NA	PeJP	NA	NA
+PJ068646	SVLKEMW 	C41H65N9O11S	891.4525	NA	PeJP	NA	NA
+PJ068647	GVLFFFY 	C49H61N7O9	891.4531	NA	PeJP	NA	NA
+PJ068648	GNKMMRR 	C34H65N15O9S2	891.4532	NA	PeJP	NA	NA
+PJ068649	PMFRRW 	C42H61N13O7S	891.4538	NA	PeJP	NA	NA
+PJ068650	STTTLLQE 	C37H65N9O16	891.4549	NA	PeJP	NA	NA
+PJ068651	SSSLLKEE 	C37H65N9O16	891.455	NA	PeJP	NA	NA
+PJ068652	LLQKEMM 	C38H69N9O11S2	891.4558	NA	PeJP	NA	NA
+PJ068653	SSTQKRW 	C38H61N13O12	891.4563	NA	PeJP	NA	NA
+PJ068654	LMMRRW 	C39H65N13O7S2	891.4572	NA	PeJP	NA	NA
+PJ068655	THHRRW 	C39H57N17O8	891.4576	NA	PeJP	NA	NA
+PJ068656	LLLEEEF 	C42H65N7O14	891.459	NA	PeJP	NA	NA
+PJ068657	STLEMRR 	C35H65N13O12S	891.4597	NA	PeJP	NA	NA
+PJ068658	GSTKKWW 	C43H61N11O10	891.4603	NA	PeJP	NA	NA
+PJ068659	GVMHHRR 	C36H61N17O8S	891.461	NA	PeJP	NA	NA
+PJ068660	GSSSSRRR 	C32H61N17O13	891.4635	NA	PeJP	NA	NA
+PJ068661	SSLLMRW 	C40H65N11O10S	891.4637	NA	PeJP	NA	NA
+PJ068662	PLKYWW 	C48H61N9O8	891.4643	NA	PeJP	NA	NA
+PJ068663	GALLFWW 	C48H61N9O8	891.4644	NA	PeJP	NA	NA
+PJ068664	SSSTLLER 	C36H65N11O15	891.4662	NA	PeJP	NA	NA
+PJ068665	VVKEMMR 	C37H69N11O10S2	891.4671	NA	PeJP	NA	NA
+PJ068666	AAQQRRY 	C37H61N15O11	891.4675	NA	PeJP	NA	NA
+PJ068667	GGGGGLRRY 	C37H61N15O11	891.4676	NA	PeJP	NA	NA
+PJ068668	APLKMFW 	C45H65N9O8S	891.4677	NA	PeJP	NA	NA
+PJ068669	SSSSLLLW 	C41H65N9O13	891.4702	NA	PeJP	NA	NA
+PJ068670	SSQKMRR 	C34H65N15O11S	891.4709	NA	PeJP	NA	NA
+PJ068671	ALLKMMW 	C42H69N9O8S2	891.4711	NA	PeJP	NA	NA
+PJ068672	VEFRRW 	C42H61N13O9	891.4716	NA	PeJP	NA	NA
+PJ068673	MHHRRR 	C35H61N19O7S	891.4723	NA	PeJP	NA	NA
+PJ068674	GTTLLKEM 	C38H69N9O13S	891.4736	NA	PeJP	NA	NA
+MJ097056	Kahalalide K 	C46H65N7O11	891.474205	NA	MeJP	NA	NA
+PJ068675	GSKKMRW 	C39H65N13O9S	891.4749	NA	PeJP	NA	NA
+PJ068676	VVFRWW 	C47H61N11O7	891.4756	NA	PeJP	NA	NA
+PJ068677	GSSTKKER 	C35H65N13O14	891.4774	NA	PeJP	NA	NA
+PJ068678	SVLMMRR 	C36H69N13O9S2	891.4783	NA	PeJP	NA	NA
+PJ068679	NQRRRY 	C36H61N17O10	891.4788	NA	PeJP	NA	NA
+2588	tenecin-1 (33-42)	YCNGKRVCVCG	891.4789	NA	Inhouse_peptide	NA	peptide
+PJ068680	SSKKKEW 	C40H65N11O12	891.4814	NA	PeJP	NA	NA
+MJ097057	Kurstakin; Kurstakin B 	C40H65N11O12	891.481416	NA	MeJP	NA	NA
+MJ097058	Kurstakin; Kurstakin C 	C40H65N11O12	891.481416	NA	MeJP	NA	NA
+PJ068681	GSSSLKKW 	C40H65N11O12	891.4815	NA	PeJP	NA	NA
+PJ068682	SSCKRRR 	C33H65N17O10S	891.4821	NA	PeJP	NA	NA
+PJ068683	APKHHFR 	C41H61N15O8	891.4828	NA	PeJP	NA	NA
+PJ068684	GTTTLLMR 	C37H69N11O12S	891.4848	NA	PeJP	NA	NA
+PJ068685	SPVLKYW 	C45H65N9O10	891.4855	NA	PeJP	NA	NA
+PJ068686	PPVMHRR 	C38H65N15O8S	891.4862	NA	PeJP	NA	NA
+PJ068687	GSSTTKRR 	C34H65N15O13	891.4887	NA	PeJP	NA	NA
+PJ068688	TTLLKMW 	C42H69N9O10S	891.4888	NA	PeJP	NA	NA
+PJ068689	GAPLLKMY 	C42H69N9O10S	891.4889	NA	PeJP	NA	NA
+PJ068690	ACKKMRR 	C35H69N15O8S2	891.4895	NA	PeJP	NA	NA
+PJ068691	GPNHRRR 	C35H61N19O9	891.49	NA	PeJP	NA	NA
+PJ068692	STTTLLKE 	C38H69N9O15	891.4913	NA	PeJP	NA	NA
+PJ068693	LLKKEMM 	C39H73N9O10S2	891.4922	NA	PeJP	NA	NA
+PJ068694	SSTKKRW 	C39H65N13O11	891.4927	NA	PeJP	NA	NA
+PJ068695	LLLLEEY 	C43H69N7O13	891.4954	NA	PeJP	NA	NA
+PJ068696	SDKKKMR 	C36H69N13O11S	891.4961	NA	PeJP	NA	NA
+PJ068697	AALLRYW 	C44H65N11O9	891.4967	NA	PeJP	NA	NA
+PJ068698	ATKKKMW 	C41H69N11O9S	891.5001	NA	PeJP	NA	NA
+PJ068699	LLKFWW 	C49H65N9O7	891.5007	NA	PeJP	NA	NA
+PJ068700	STTTTLLR 	C37H69N11O14	891.5026	NA	PeJP	NA	NA
+PJ068701	TLLKMMR 	C38H73N11O9S2	891.5035	NA	PeJP	NA	NA
+PJ068702	LERRRY 	C38H65N15O10	891.5039	NA	PeJP	NA	NA
+PJ068703	VLLQKEY 	C42H69N9O12	891.5066	NA	PeJP	NA	NA
+PJ068704	SSKKMRR 	C35H69N15O10S	891.5073	NA	PeJP	NA	NA
+PJ068705	VLRRYW 	C43H65N13O8	891.5079	NA	PeJP	NA	NA
+PJ068706	GAKKFRW 	C43H65N13O8	891.508	NA	PeJP	NA	NA
+PJ068707	SSTLLLKM 	C39H73N9O12S	891.51	NA	PeJP	NA	NA
+PJ068708	GLLMFRR 	C40H69N13O8S	891.5113	NA	PeJP	NA	NA
+PJ068709	SSSSLKKR 	C36H69N13O13	891.5138	NA	PeJP	NA	NA
+PJ068710	AKKKMMR 	C37H73N13O8S2	891.5147	NA	PeJP	NA	NA
+PJ068711	NKRRRY 	C37H65N17O9	891.5152	NA	PeJP	NA	NA
+PJ068712	TTTKKKW 	C41H69N11O11	891.5178	NA	PeJP	NA	NA
+PJ068713	GGGGLLKKY 	C41H69N11O11	891.5179	NA	PeJP	NA	NA
+PJ068714	TKKKKEM 	C38H73N11O11S	891.5212	NA	PeJP	NA	NA
+PJ068715	GLLLKYW 	C46H69N9O9	891.5219	NA	PeJP	NA	NA
+PJ068716	PLLKKMY 	C43H73N9O9S	891.5252	NA	PeJP	NA	NA
+PJ068717	ATLLRRY 	C40H69N13O10	891.5291	NA	PeJP	NA	NA
+PJ068718	TTKKKMR 	C37H73N13O10S	891.5324	NA	PeJP	NA	NA
+PJ068719	GVKKKFW 	C45H69N11O8	891.5331	NA	PeJP	NA	NA
+MJ097059	Tolytoxin; 23-Ac 	C48H77NO14	891.534406	NA	MeJP	NA	NA
+PJ068720	VVLKMFR 	C42H73N11O8S	891.5365	NA	PeJP	NA	NA
+PJ068721	SSTTLKKK 	C38H73N11O13	891.539	NA	PeJP	NA	NA
+PJ068722	VKKKKMM 	C39H77N11O8S2	891.5398	NA	PeJP	NA	NA
+PJ068723	AAKKRRY 	C39H69N15O9	891.5403	NA	PeJP	NA	NA
+PJ068724	VLLKKEY 	C43H73N9O11	891.543	NA	PeJP	NA	NA
+PJ068725	KKKFRW 	C44H69N13O7	891.5443	NA	PeJP	NA	NA
+PJ068726	APKKHRR 	C38H69N17O8	891.5515	NA	PeJP	NA	NA
+PJ068727	SLLLKRY 	C42H73N11O10	891.5542	NA	PeJP	NA	NA
+PJ068728	PLLKKFF 	C47H73N9O8	891.5583	NA	PeJP	NA	NA
+PJ068729	LLLKKMF 	C44H77N9O8S	891.5616	NA	PeJP	NA	NA
+PJ068730	GLKKKRY 	C41H73N13O9	891.5655	NA	PeJP	NA	NA
+PJ068731	VVLLHRR 	C40H73N15O8	891.5767	NA	PeJP	NA	NA
+PJ068732	PPVLLLLQ 	C44H77N9O10	891.5794	NA	PeJP	NA	NA
+PJ068733	VVKKKKY 	C43H77N11O9	891.5906	NA	PeJP	NA	NA
+EUR1023	PC 40:7 [M-H+acetate]-	C48H82NO8P	891.598907	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1023	PC 40:7 [M-H+acetate]-	C48H82NO8P	891.598907	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1023	PC 40:7 [M-H+acetate]-	C48H82NO8P	891.598907	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1023	PC 40:7 [M-H+acetate]-	C48H82NO8P	891.598907	masses lipides attendues	Inhousejuil11	NA	NA
+PJ068734	LLLLKHR 	C42H77N13O8	891.6018	NA	PeJP	NA	NA
+PJ068735	PPVLLLLK 	C45H81N9O9	891.6158	NA	PeJP	NA	NA
+HMDB00024	3-O-Sulfogalactosylceramide	C48H93NO11S	891.64691	http://www.hmdb.ca/metabolites/HMDB00024	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00024	3-O-Sulfogalactosylceramide	C48H93NO11S	891.64691	http://www.hmdb.ca/metabolites/HMDB00024	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00024	3-O-Sulfogalactosylceramide	C48H93NO11S	891.64691	http://www.hmdb.ca/metabolites/HMDB00024	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00024	3-O-Sulfogalactosylceramide	C48H93NO11S	891.64691	http://www.hmdb.ca/metabolites/HMDB00024	HMDB	NA	NA
+HMDB00024	3-O-Sulfogalactosylceramide	C48H93NO11S	891.64691	HMDB00024	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00024	3-O-Sulfogalactosylceramide (d18:1/24:0)	C48H93NO11S	891.646912	NA	HMDB2010	NA	NA
+HMDB08454	PC(20:4(5Z,8Z,11Z,14Z)/24:1(15Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08487	PC(20:4(8Z,11Z,14Z,17Z)/24:1(15Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08519	PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08549	PC(22:0/22:5(4Z,7Z,10Z,13Z,16Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08550	PC(22:0/22:5(7Z,10Z,13Z,16Z,19Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08580	PC(22:1(13Z)/22:4(7Z,10Z,13Z,16Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08644	PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08676	PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08709	PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08774	PC(24:0/20:5(5Z,8Z,11Z,14Z,17Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08805	PC(24:1(15Z)/20:4(5Z,8Z,11Z,14Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+HMDB08806	PC(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))	C52H94NO8P	891.671692	NA	HMDB2010	NA	NA
+MJ097060	Trypan red 	C32H24N6O15S5	891.990317	NA	MeJP	NA	NA
+PJ068736	CCCCCDDE 	C28H44N8O15S5	892.153	NA	PeJP	NA	NA
+PJ068737	CCCCCNNM 	C28H48N10O11S6	892.1829	NA	PeJP	NA	NA
+PJ068738	SCCCCDEM 	C29H48N8O14S5	892.1894	NA	PeJP	NA	NA
+PJ068739	PCCCCCMM 	C30H52N8O9S7	892.1903	NA	PeJP	NA	NA
+PJ068740	GSSCCCCCQ 	C28H48N10O13S5	892.2006	NA	PeJP	NA	NA
+PJ068741	GCCCDDDY 	C32H44N8O16S3	892.2038	NA	PeJP	NA	NA
+PJ068742	PCCCCCDF 	C33H48N8O11S5	892.2047	NA	PeJP	NA	NA
+PJ068743	GCCCDMMM 	C30H52N8O11S6	892.208	NA	PeJP	NA	NA
+PJ068744	SSSSCCCCN 	C28H48N10O15S4	892.2184	NA	PeJP	NA	NA
+PJ068745	CCCCCCQK 	C29H52N10O10S6	892.2193	NA	PeJP	NA	NA
+PJ068746	SPCCCCDY 	C33H48N8O13S4	892.2224	NA	PeJP	NA	NA
+PJ068747	SSCCCEMM 	C30H52N8O13S5	892.2258	NA	PeJP	NA	NA
+PJ068748	GCCCCMHH 	C31H48N12O9S5	892.2271	NA	PeJP	NA	NA
+MJ097061	Swertiamarin; 2'-(3,4-Dihydroxybenzoyl), 4'-(3-glucosyloxy-2-hydroxybenzoyl), 3',6'-di-Ac 	C40H44O23	892.227337	NA	MeJP	NA	NA
+MJ097062	Swertiamarin; 4'-O-[?-D-Glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2'-(2,5-dihydroxybenzoyl), 3',6'-di-Ac 	C40H44O23	892.227337	NA	MeJP	NA	NA
+PJ068749	GCCDDDEH 	C31H44N10O17S2	892.2328	NA	PeJP	NA	NA
+PJ068750	GCCCCNQY 	C32H48N10O12S4	892.2336	NA	PeJP	NA	NA
+PJ068751	GGGGACCCCY 	C32H48N10O12S4	892.2337	NA	PeJP	NA	NA
+PJ068752	GSSCCCCCK 	C29H52N10O12S5	892.237	NA	PeJP	NA	NA
+PJ068753	CCCCEFW 	C37H48N8O10S4	892.2377	NA	PeJP	NA	NA
+PJ068754	GSCCDDMY 	C33H48N8O15S3	892.2402	NA	PeJP	NA	NA
+PJ068755	APCCCCMY 	C34H52N8O10S5	892.241	NA	PeJP	NA	NA
+PJ068756	GSCCMMMM 	C31H56N8O10S6	892.2444	NA	PeJP	NA	NA
+PJ068757	STCCCCHH 	C31H48N12O11S4	892.2449	NA	PeJP	NA	NA
+PJ068758	CCDDDHW 	C35H44N10O14S2	892.248	NA	PeJP	NA	NA
+PJ068759	SSCDDDDH 	C31H44N10O19S	892.2505	NA	PeJP	NA	NA
+PJ068760	SSCCCNNY 	C32H48N10O14S3	892.2514	NA	PeJP	NA	NA
+PJ068761	PPCCCCMH 	C33H52N10O9S5	892.2523	NA	PeJP	NA	NA
+PJ068762	SCCCEYW 	C37H48N8O12S3	892.2554	NA	PeJP	NA	NA
+PJ068763	CCCCCCKK 	C30H56N10O9S6	892.2556	NA	PeJP	NA	NA
+PJ068764	SPDDDDDD 	C32H44N8O22	892.2571	NA	PeJP	NA	NA
+PJ068765	SSSCCDEY 	C33H48N8O17S2	892.2579	NA	PeJP	NA	NA
+PJ068766	CCNEMMY 	C34H52N8O12S4	892.2588	NA	PeJP	NA	NA
+PJ068767	SSTCCMMM 	C31H56N8O12S5	892.2622	NA	PeJP	NA	NA
+PJ068768	GCCNNDMH 	C31H48N12O13S3	892.2626	NA	PeJP	NA	NA
+PJ068769	GGGGGCCDMH 	C31H48N12O13S3	892.2627	NA	PeJP	NA	NA
+MJ097063	Sucrose; 3'-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 6'-O-(4-hydroxy-3,5-dimethoxy-E-cinnamoyl), 1',2,4,6-tetra-Ac 	C41H48O22	892.263723	NA	MeJP	NA	NA
+PJ068770	GNNDDDDE 	C31H44N10O21	892.2683	NA	PeJP	NA	NA
+PJ068771	GSCDDEMH 	C32H48N10O16S2	892.2692	NA	PeJP	NA	NA
+PJ068772	CCCDMRY 	C33H52N10O11S4	892.27	NA	PeJP	NA	NA
+PJ068773	CCNDEFY 	C37H48N8O14S2	892.2732	NA	PeJP	NA	NA
+PJ068774	GCCMMYW 	C38H52N8O9S4	892.274	NA	PeJP	NA	NA
+PJ068775	APCCCCFF 	C38H52N8O9S4	892.2741	NA	PeJP	NA	NA
+PJ068776	GPDDDDEM 	C33H48N8O19S	892.2757	NA	PeJP	NA	NA
+PJ068777	GSSCDMMY 	C34H52N8O14S3	892.2765	NA	PeJP	NA	NA
+PJ068778	CCQMMMF 	C35H56N8O9S5	892.2774	NA	PeJP	NA	NA
+PJ068779	CCCNQHW 	C35H48N12O10S3	892.2779	NA	PeJP	NA	NA
+PJ068780	SSCCNNEH 	C31H48N12O15S2	892.2804	NA	PeJP	NA	NA
+PJ068781	NNDDDDW 	C35H44N10O18	892.2835	NA	PeJP	NA	NA
+PJ068782	GGNDDDDW 	C35H44N10O18	892.2836	NA	PeJP	NA	NA
+PJ068783	SCDDMHW 	C36H48N10O13S2	892.2844	NA	PeJP	NA	NA
+PJ068784	SSSDDDMH 	C32H48N10O18S	892.2869	NA	PeJP	NA	NA
+PJ068785	NDDMMMH 	C33H52N10O13S3	892.2878	NA	PeJP	NA	NA
+PJ068786	GCCDFYW 	C41H48N8O11S2	892.2884	NA	PeJP	NA	NA
+PJ068787	CCCMMFR 	C34H56N10O8S5	892.2887	NA	PeJP	NA	NA
+PJ068788	GPCCCHHH 	C34H48N14O9S3	892.2891	NA	PeJP	NA	NA
+PJ068789	PDDDDMW 	C37H48N8O16S	892.2909	NA	PeJP	NA	NA
+PJ068790	STCCMYW 	C38H52N8O11S3	892.2918	NA	PeJP	NA	NA
+PJ068791	NDEEEEE 	C33H48N8O21	892.2934	NA	PeJP	NA	NA
+PJ068792	GADDEEEE 	C33H48N8O21	892.2935	NA	PeJP	NA	NA
+PJ068793	SSSSCEMY 	C34H52N8O16S2	892.2943	NA	PeJP	NA	NA
+PJ068794	SCQMMMY 	C35H56N8O11S4	892.2952	NA	PeJP	NA	NA
+PJ068795	GSSCCNHW 	C35H48N12O12S2	892.2956	NA	PeJP	NA	NA
+PJ068796	GGGSSCCHW 	C35H48N12O12S2	892.2957	NA	PeJP	NA	NA
+PJ068797	GSSSSCNDH 	C31H48N12O17S	892.2981	NA	PeJP	NA	NA
+PJ068798	GGGSSSSCDH 	C31H48N12O17S	892.2982	NA	PeJP	NA	NA
+PJ068799	CCDEMHR 	C32H52N12O12S3	892.299	NA	PeJP	NA	NA
+FL5FABGI0021	Sempervirenoside A	C42H52O21	892.3001	124862-71-1	knapsack	NA	NA
+MJ097064	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[3-O-acetyl-?-D-xylopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C42H52O21	892.300108	NA	MeJP	NA	NA
+PJ068800	GSPCNDDW 	C36H48N10O15S	892.3022	NA	PeJP	NA	NA
+PJ068801	GCEMMHW 	C37H52N10O10S3	892.303	NA	PeJP	NA	NA
+PJ068802	GGAPPCCCW 	C37H52N10O10S3	892.3031	NA	PeJP	NA	NA
+PJ068803	DDDDEER 	C32H48N10O20	892.3047	NA	PeJP	NA	NA
+PJ068804	GSSDEMMH 	C33H52N10O15S2	892.3055	NA	PeJP	NA	NA
+PJ068805	GGGPNDDMM 	C33H52N10O15S2	892.3056	NA	PeJP	NA	NA
+PJ068806	GSCDYYW 	C41H48N8O13S	892.3062	NA	PeJP	NA	NA
+PJ068807	SCCMMRY 	C34H56N10O10S4	892.3064	NA	PeJP	NA	NA
+PJ068808	CNDMHHH 	C34H48N14O11S2	892.3069	NA	PeJP	NA	NA
+PJ068809	GCCMFFW 	C42H52N8O8S3	892.3071	NA	PeJP	NA	NA
+PJ068810	GDEEEEW 	C37H48N8O18	892.3087	NA	PeJP	NA	NA
+PJ068811	SCNNNNNN 	C30H48N14O16S	892.3094	NA	PeJP	NA	NA
+PJ068812	GNDMMYY 	C38H52N8O13S2	892.3096	NA	PeJP	NA	NA
+PJ068813	GSCCCQHR 	C31H52N14O11S3	892.3103	NA	PeJP	NA	NA
+PJ068814	GSPDEEEM 	C34H52N8O18S	892.3121	NA	PeJP	NA	NA
+PJ068815	GSSSMMMY 	C35H56N8O13S3	892.3129	NA	PeJP	NA	NA
+PJ068816	CNNNNEW 	C35H48N12O14S	892.3134	NA	PeJP	NA	NA
+PJ068817	CCKMMMF 	C36H60N8O8S5	892.3138	NA	PeJP	NA	NA
+PJ068818	CCCNKHW 	C36H52N12O9S3	892.3143	NA	PeJP	NA	NA
+PJ068819	GSNDDDDR 	C31H48N12O19	892.3159	NA	PeJP	NA	NA
+PJ068820	GPCCNDER 	C32H52N12O14S2	892.3168	NA	PeJP	NA	NA
+PJ068821	GCDEHFW 	C40H48N10O12S	892.3174	NA	PeJP	NA	NA
+PJ068822	CMMHWW 	C41H52N10O7S3	892.3183	NA	PeJP	NA	NA
+PJ068823	SNNDEEW 	C36H48N10O17	892.3199	NA	PeJP	NA	NA
+PJ068824	GGGGGPDDDF 	C36H48N10O17	892.32	NA	PeJP	NA	NA
+PJ068825	SSDMMHW 	C37H52N10O12S2	892.3208	NA	PeJP	NA	NA
+PJ068826	ACCHHHW 	C38H48N14O8S2	892.3221	NA	PeJP	NA	NA
+PJ068827	SSSSEEMH 	C33H52N10O17S	892.3233	NA	PeJP	NA	NA
+PJ068828	GNDDFYY 	C41H48N8O15	892.3239	NA	PeJP	NA	NA
+PJ068829	DEEEWW 	C41H48N8O15	892.324	NA	PeJP	NA	NA
+PJ068830	SQEMMMH 	C34H56N10O12S3	892.3242	NA	PeJP	NA	NA
+PJ068831	GSSCEHHH 	C34H48N14O13S	892.3246	NA	PeJP	NA	NA
+PJ068832	GGGPCNDHH 	C34H48N14O13S	892.3247	NA	PeJP	NA	NA
+PJ068833	CQMYYW 	C42H52N8O10S2	892.3248	NA	PeJP	NA	NA
+PJ068834	SPDEEMW 	C38H52N8O15S	892.3273	NA	PeJP	NA	NA
+PJ068835	SSSCCNHR 	C31H52N14O13S2	892.328	NA	PeJP	NA	NA
+PJ068836	PPCEMMW 	C39H56N8O10S3	892.3282	NA	PeJP	NA	NA
+PJ068837	GCNNNWW 	C39H48N12O11S	892.3287	NA	PeJP	NA	NA
+PJ068838	TQEEEEE 	C34H52N8O20	892.3298	NA	PeJP	NA	NA
+PJ068839	SSSSTMMY 	C35H56N8O15S2	892.3307	NA	PeJP	NA	NA
+PJ068840	GSSNNNDW 	C35H48N12O16	892.3312	NA	PeJP	NA	NA
+PJ068841	SCKMMMY 	C36H60N8O10S4	892.3315	NA	PeJP	NA	NA
+PJ068842	SPPPCMMM 	C36H60N8O10S4	892.3316	NA	PeJP	NA	NA
+PJ068843	PCCNDRW 	C36H52N12O11S2	892.332	NA	PeJP	NA	NA
+PJ068844	GGGGGACMHF 	C36H52N12O11S2	892.3321	NA	PeJP	NA	NA
+PJ068845	CDHFWW 	C44H48N10O9S	892.3327	NA	PeJP	NA	NA
+PJ068846	NNDDEMR 	C32H52N12O16S	892.3345	NA	PeJP	NA	NA
+PJ068847	GGGGDDEMR 	C32H52N12O16S	892.3346	NA	PeJP	NA	NA
+PJ068848	GSNDEWW 	C40H48N10O14	892.3352	NA	PeJP	NA	NA
+PJ068849	SCEMMHR 	C33H56N12O11S3	892.3354	NA	PeJP	NA	NA
+PJ068850	APCCQWW 	C41H52N10O9S2	892.336	NA	PeJP	NA	NA
+PJ068851	GPCNMWW 	C41H52N10O9S2	892.3361	NA	PeJP	NA	NA
+PJ068852	ACQQEEW 	C37H52N10O14S	892.3385	NA	PeJP	NA	NA
+PJ068853	GNQEEMW 	C37H52N10O14S	892.3386	NA	PeJP	NA	NA
+PJ068854	GTMMMHW 	C38H56N10O9S3	892.3394	NA	PeJP	NA	NA
+PJ068855	SSCHHHW 	C38H48N14O10S	892.3399	NA	PeJP	NA	NA
+PJ068856	ASTNNEEE 	C33H52N10O19	892.341	NA	PeJP	NA	NA
+PJ068857	SDEEEER 	C33H52N10O19	892.3411	NA	PeJP	NA	NA
+PJ068858	PDDEMMR 	C34H56N10O14S2	892.3419	NA	PeJP	NA	NA
+PJ068859	SSSSDHHH 	C34H48N14O15	892.3424	NA	PeJP	NA	NA
+PJ068860	GSSMYYW 	C42H52N8O12S	892.3426	NA	PeJP	NA	NA
+PJ068861	VNMMMMH 	C35H60N10O9S4	892.3428	NA	PeJP	NA	NA
+PJ068862	CCNNHFR 	C35H52N14O10S2	892.3433	NA	PeJP	NA	NA
+PJ068863	ATEEEEW 	C38H52N8O17	892.3451	NA	PeJP	NA	NA
+PJ068864	CNDDDRR 	C31H52N14O15S	892.3458	NA	PeJP	NA	NA
+PJ068865	APEEMMW 	C39H56N8O12S2	892.3459	NA	PeJP	NA	NA
+PJ068866	PVDDMMW 	C39H56N8O12S2	892.346	NA	PeJP	NA	NA
+PJ068867	SPDDHHW 	C39H48N12O13	892.3464	NA	PeJP	NA	NA
+PJ068868	GSCCCKHR 	C32H56N14O10S3	892.3466	NA	PeJP	NA	NA
+PJ068869	VQEEEEM 	C35H56N8O17S	892.3485	NA	PeJP	NA	NA
+PJ068870	GPPTEMMM 	C36H60N8O12S3	892.3493	NA	PeJP	NA	NA
+PJ068871	GNDDMRW 	C36H52N12O13S	892.3498	NA	PeJP	NA	NA
+PJ068872	SNDWWW 	C44H48N10O11	892.3504	NA	PeJP	NA	NA
+PJ068873	PCCMHFR 	C37H56N12O8S3	892.3507	NA	PeJP	NA	NA
+PJ068874	GSSNDEER 	C32H52N12O18	892.3523	NA	PeJP	NA	NA
+PJ068875	NNQQQMM 	C33H56N12O13S2	892.3531	NA	PeJP	NA	NA
+PJ068876	GSPCNEMR 	C33H56N12O13S2	892.3532	NA	PeJP	NA	NA
+PJ068877	GSNNNNHH 	C33H48N16O14	892.3536	NA	PeJP	NA	NA
+PJ068878	GGGGGGGSNHH 	C33H48N16O14	892.3537	NA	PeJP	NA	NA
+PJ068879	NQEMWW 	C41H52N10O11S	892.3538	NA	PeJP	NA	NA
+PJ068880	GMMMMHR 	C34H60N12O8S4	892.354	NA	PeJP	NA	NA
+PJ068881	TCCHHHR 	C34H52N16O9S2	892.3545	NA	PeJP	NA	NA
+PJ068882	SSQQEEW 	C37H52N10O16	892.3563	NA	PeJP	NA	NA
+PJ068883	STTMMHW 	C38H56N10O11S2	892.3572	NA	PeJP	NA	NA
+PJ068884	GNNEHHW 	C38H48N14O12	892.3577	NA	PeJP	NA	NA
+PJ068885	CQFFYW 	C46H52N8O9S	892.3578	NA	PeJP	NA	NA
+PJ068886	AEEEEMR 	C34H56N10O16S	892.3597	NA	PeJP	NA	NA
+PJ068887	SSSTYYW 	C42H52N8O14	892.3603	NA	PeJP	NA	NA
+PJ068888	SKEMMMH 	C35H60N10O11S3	892.3605	NA	PeJP	NA	NA
+PJ068889	TDKMMMH 	C35H60N10O11S3	892.3606	NA	PeJP	NA	NA
+PJ068890	SCNNNRW 	C35H52N14O12S	892.361	NA	PeJP	NA	NA
+PJ068891	CKMYYW 	C43H56N8O9S2	892.3612	NA	PeJP	NA	NA
+PJ068892	SSSNNNDR 	C31H52N14O17	892.3635	NA	PeJP	NA	NA
+PJ068893	GLEEEMW 	C39H56N8O14S	892.3637	NA	PeJP	NA	NA
+PJ068894	GSPCCDRR 	C32H56N14O12S2	892.3644	NA	PeJP	NA	NA
+PJ068895	PPTMMMW 	C40H60N8O9S3	892.3646	NA	PeJP	NA	NA
+PJ068896	CNERWW 	C40H52N12O10S	892.365	NA	PeJP	NA	NA
+PJ068897	GGCERWW 	C40H52N12O10S	892.3651	NA	PeJP	NA	NA
+PJ068898	TKEEEEE 	C35H56N8O19	892.3662	NA	PeJP	NA	NA
+PJ068899	PKEEEMM 	C36H60N8O14S2	892.3671	NA	PeJP	NA	NA
+PJ068900	SSNDERW 	C36H52N12O15	892.3675	NA	PeJP	NA	NA
+PJ068901	GGSSDERW 	C36H52N12O15	892.3676	NA	PeJP	NA	NA
+PJ068902	GPPVMMMM 	C37H64N8O9S4	892.368	NA	PeJP	NA	NA
+PJ068903	SPCNMRW 	C37H56N12O10S2	892.3684	NA	PeJP	NA	NA
+PJ068904	PNDHHHH 	C37H48N16O11	892.3689	NA	PeJP	NA	NA
+PJ068905	GQMWWW 	C45H52N10O8S	892.3691	NA	PeJP	NA	NA
+PJ068906	SNQEEMR 	C33H56N12O15S	892.3709	NA	PeJP	NA	NA
+PJ068907	GSTQEWW 	C41H52N10O13	892.3716	NA	PeJP	NA	NA
+PJ068908	STMMMHR 	C34H60N12O10S3	892.3718	NA	PeJP	NA	NA
+PJ068909	APCCKWW 	C42H56N10O8S2	892.3724	NA	PeJP	NA	NA
+PJ068910	NNHHWW 	C42H48N14O9	892.3729	NA	PeJP	NA	NA
+PJ068911	GNKEEMW 	C38H56N10O13S	892.3749	NA	PeJP	NA	NA
+PJ068912	GGGKEEMW 	C38H56N10O13S	892.375	NA	PeJP	NA	NA
+PJ068913	PEEFWW 	C46H52N8O11	892.3756	NA	PeJP	NA	NA
+PJ068914	GGGGGACCRR 	C31H56N16O11S2	892.3757	NA	PeJP	NA	NA
+PJ068915	PCKMMHF 	C39H60N10O8S3	892.3758	NA	PeJP	NA	NA
+PJ068916	GQMHHHF 	C39H52N14O9S	892.3763	NA	PeJP	NA	NA
+PJ068917	TTEEEER 	C34H56N10O18	892.3774	NA	PeJP	NA	NA
+PJ068918	GGGSTKEEE 	C34H56N10O18	892.3775	NA	PeJP	NA	NA
+PJ068919	PTEEMMR 	C35H60N10O13S2	892.3783	NA	PeJP	NA	NA
+PJ068920	NNNNDFR 	C35H52N14O14	892.3788	NA	PeJP	NA	NA
+PJ068921	LEEMWW 	C43H56N8O11S	892.379	NA	PeJP	NA	NA
+PJ068922	PPMMMMR 	C36H64N10O8S4	892.3792	NA	PeJP	NA	NA
+PJ068923	TCKMHHH 	C36H56N14O9S2	892.3797	NA	PeJP	NA	NA
+PJ068924	GCRWWW 	C44H52N12O7S	892.3803	NA	PeJP	NA	NA
+PJ068925	SSSSSLYY 	C39H56N8O16	892.3814	NA	PeJP	NA	NA
+PJ068926	STLEEEW 	C39H56N8O16	892.3815	NA	PeJP	NA	NA
+PJ068927	GSSNNQMR 	C32H56N14O14S	892.3821	NA	PeJP	NA	NA
+PJ068928	SNDDMRR 	C32H56N14O14S	892.3822	NA	PeJP	NA	NA
+PJ068929	SPLEMMW 	C40H60N8O11S2	892.3823	NA	PeJP	NA	NA
+PJ068930	GSSDRWW 	C40H52N12O12	892.3828	NA	PeJP	NA	NA
+PJ068931	PCCQMRR 	C33H60N14O9S3	892.383	NA	PeJP	NA	NA
+PJ068932	VKEEEEM 	C36H60N8O16S	892.3848	NA	PeJP	NA	NA
+PJ068933	AAPLEMMM 	C37H64N8O11S3	892.3857	NA	PeJP	NA	NA
+PJ068934	GSQEMRW 	C37H56N12O12S	892.3862	NA	PeJP	NA	NA
+PJ068935	STQWWW 	C45H52N10O10	892.3868	NA	PeJP	NA	NA
+PJ068936	GCHHHFR 	C38H52N16O8S	892.3875	NA	PeJP	NA	NA
+PJ068937	GSSTQEER 	C33H56N12O17	892.3887	NA	PeJP	NA	NA
+PJ068938	AQQEMMR 	C34H60N12O12S2	892.3895	NA	PeJP	NA	NA
+PJ068939	GAAQEMMR 	C34H60N12O12S2	892.3896	NA	PeJP	NA	NA
+PJ068940	SNNEHHR 	C34H52N16O13	892.39	NA	PeJP	NA	NA
+PJ068941	NKEMWW 	C42H56N10O10S	892.3902	NA	PeJP	NA	NA
+PJ068942	SSQKEEW 	C38H56N10O15	892.3927	NA	PeJP	NA	NA
+PJ068943	GSSCNNRR 	C31H56N16O13S	892.3934	NA	PeJP	NA	NA
+PJ068944	SPNKMMW 	C39H60N10O10S2	892.3936	NA	PeJP	NA	NA
+PJ068945	EEHHRW 	C39H52N14O11	892.394	NA	PeJP	NA	NA
+PJ068946	GGGDKHHW 	C39H52N14O11	892.3941	NA	PeJP	NA	NA
+PJ068947	CKFFYW 	C47H56N8O8S	892.3942	NA	PeJP	NA	NA
+PJ068948	PCCCRRR 	C32H60N16O8S3	892.3943	NA	PeJP	NA	NA
+PJ068949	SLEEEMR 	C35H60N10O15S	892.3961	NA	PeJP	NA	NA
+PJ068950	GPLEEYW 	C43H56N8O13	892.3967	NA	PeJP	NA	NA
+PJ068951	PVEMMMR 	C36H64N10O10S3	892.3969	NA	PeJP	NA	NA
+PJ068952	GGAAPKMMM 	C36H64N10O10S3	892.397	NA	PeJP	NA	NA
+PJ068953	GSCERRW 	C36H56N14O11S	892.3974	NA	PeJP	NA	NA
+PJ068954	PPCLMFW 	C44H60N8O8S2	892.3976	NA	PeJP	NA	NA
+PJ068955	VEHHWW 	C44H52N12O9	892.3981	NA	PeJP	NA	NA
+PJ068956	GSSSDERR 	C32H56N14O16	892.3999	NA	PeJP	NA	NA
+PJ068957	SVLEEMW 	C40H60N8O13S	892.4001	NA	PeJP	NA	NA
+PJ068958	GNEMMRR 	C33H60N14O11S2	892.4008	NA	PeJP	NA	NA
+PJ068959	PVVMMMW 	C41H64N8O8S3	892.401	NA	PeJP	NA	NA
+PJ068960	SQMRWW 	C41H56N12O9S	892.4014	NA	PeJP	NA	NA
+PJ068961	AHFFWW 	C49H52N10O7	892.4021	NA	PeJP	NA	NA
+PJ068962	SSSLLEEE 	C36H60N8O18	892.4026	NA	PeJP	NA	NA
+PJ068963	LLQEEMM 	C37H64N8O13S2	892.4035	NA	PeJP	NA	NA
+PJ068964	SSTQERW 	C37H56N12O14	892.4039	NA	PeJP	NA	NA
+PJ068965	GGGGGGGSPKY 	C37H56N12O14	892.404	NA	PeJP	NA	NA
+PJ068966	AAQMMRW 	C38H60N12O9S2	892.4048	NA	PeJP	NA	NA
+PJ068967	GSNHHRW 	C38H52N16O10	892.4053	NA	PeJP	NA	NA
+PJ068968	GKMWWW 	C46H56N10O7S	892.4055	NA	PeJP	NA	NA
+PJ068969	SNKEEMR 	C34H60N12O14S	892.4073	NA	PeJP	NA	NA
+PJ068970	SSSLQWW 	C42H56N10O12	892.4079	NA	PeJP	NA	NA
+PJ068971	GSTKEWW 	C42H56N10O12	892.408	NA	PeJP	NA	NA
+PJ068972	PCQKMMR 	C35H64N12O9S3	892.4082	NA	PeJP	NA	NA
+PJ068973	GQQMHHR 	C35H56N16O10S	892.4086	NA	PeJP	NA	NA
+PJ068974	GGAQMHHR 	C35H56N16O10S	892.4087	NA	PeJP	NA	NA
+PJ068975	GDKKEMW 	C39H60N10O12S	892.4113	NA	PeJP	NA	NA
+PJ068976	PLEYWW 	C47H56N8O10	892.412	NA	PeJP	NA	NA
+PJ068977	SCRRWW 	C40H56N14O8S	892.4127	NA	PeJP	NA	NA
+PJ068978	GSSKKEEE 	C35H60N10O17	892.4138	NA	PeJP	NA	NA
+PJ068979	VVEEMMR 	C36H64N10O12S2	892.4147	NA	PeJP	NA	NA
+PJ068980	SSSDRRW 	C36H56N14O13	892.4152	NA	PeJP	NA	NA
+PJ068981	SPPLMYW 	C44H60N8O10S	892.4153	NA	PeJP	NA	NA
+PJ068982	PVVDMFW 	C44H60N8O10S	892.4154	NA	PeJP	NA	NA
+PJ068983	NMMRRW 	C37H60N14O8S2	892.416	NA	PeJP	NA	NA
+PJ068984	ASPVLDEY 	C40H60N8O15	892.4178	NA	PeJP	NA	NA
+PJ068985	PVKEEEY 	C40H60N8O15	892.4179	NA	PeJP	NA	NA
+PJ068986	SSQEMRR 	C33H60N14O13S	892.4185	NA	PeJP	NA	NA
+PJ068987	GGGGGSSKMR 	C33H60N14O13S	892.4186	NA	PeJP	NA	NA
+PJ068988	ALLEMMW 	C41H64N8O10S2	892.4187	NA	PeJP	NA	NA
+PJ068989	GSTTRWW 	C41H56N12O11	892.4192	NA	PeJP	NA	NA
+PJ068990	PCCKMRR 	C34H64N14O8S3	892.4194	NA	PeJP	NA	NA
+PJ068991	GCQHHRR 	C34H56N18O9S	892.4199	NA	PeJP	NA	NA
+PJ068992	GTTLLEEM 	C37H64N8O15S	892.4212	NA	PeJP	NA	NA
+PJ068993	GPTLLMMM 	C38H68N8O10S3	892.4221	NA	PeJP	NA	NA
+PJ068994	ATTQMRW 	C38H60N12O11S	892.4225	NA	PeJP	NA	NA
+PJ068995	GSKEMRW 	C38H60N12O11S	892.4226	NA	PeJP	NA	NA
+PJ068996	STKWWW 	C46H56N10O9	892.4232	NA	PeJP	NA	NA
+PJ068997	SSSSLQER 	C34H60N12O16	892.425	NA	PeJP	NA	NA
+PJ068998	GSSTKEER 	C34H60N12O16	892.4251	NA	PeJP	NA	NA
+PJ068999	AQKEMMR 	C35H64N12O11S2	892.4259	NA	PeJP	NA	NA
+PJ069000	GGGGGAKKMM 	C35H64N12O11S2	892.426	NA	PeJP	NA	NA
+PJ069001	GNNNRRY 	C35H56N16O12	892.4264	NA	PeJP	NA	NA
+PJ069002	DKKMWW 	C43H60N10O9S	892.4266	NA	PeJP	NA	NA
+PJ069003	SSKKEEW 	C39H60N10O14	892.4291	NA	PeJP	NA	NA
+PJ069004	SSCERRR 	C32H60N16O12S	892.4298	NA	PeJP	NA	NA
+PJ069005	AVQKMMW 	C40H64N10O9S2	892.4299	NA	PeJP	NA	NA
+PJ069006	GLQKMMW 	C40H64N10O9S2	892.43	NA	PeJP	NA	NA
+PJ069007	NDFRRW 	C40H56N14O10	892.4304	NA	PeJP	NA	NA
+PJ069008	ASSLQKEM 	C36H64N10O14S	892.4324	NA	PeJP	NA	NA
+PJ069009	TQKKEEM 	C36H64N10O14S	892.4325	NA	PeJP	NA	NA
+PJ069010	SPVLEYW 	C44H60N8O12	892.4331	NA	PeJP	NA	NA
+PJ069011	PQKKMMM 	C37H68N10O9S3	892.4333	NA	PeJP	NA	NA
+PJ069012	GSTMRRW 	C37H60N14O10S	892.4338	NA	PeJP	NA	NA
+PJ069013	AQFRWW 	C45H56N12O8	892.4344	NA	PeJP	NA	NA
+PJ069014	GAAFRWW 	C45H56N12O8	892.4345	NA	PeJP	NA	NA
+PJ069015	GSSTTERR 	C33H60N14O15	892.4363	NA	PeJP	NA	NA
+PJ069016	TTLLEMW 	C41H64N8O12S	892.4365	NA	PeJP	NA	NA
+PJ069017	GDKMMRR 	C34H64N14O10S2	892.4372	NA	PeJP	NA	NA
+PJ069018	SSNHHRR 	C34H56N18O11	892.4376	NA	PeJP	NA	NA
+PJ069019	SKMRWW 	C42H60N12O8S	892.4378	NA	PeJP	NA	NA
+PJ069020	STTTLLEE 	C37H64N8O17	892.439	NA	PeJP	NA	NA
+PJ069021	SPTTLLMM 	C38H68N8O12S2	892.4398	NA	PeJP	NA	NA
+PJ069022	LLKEEMM 	C38H68N8O12S2	892.4399	NA	PeJP	NA	NA
+PJ069023	SSTKERW 	C38H60N12O13	892.4403	NA	PeJP	NA	NA
+PJ069024	GGGGGGGAPPPL 	C38H60N12O13	892.4404	NA	PeJP	NA	NA
+PJ069025	AAKMMRW 	C39H64N12O8S2	892.4412	NA	PeJP	NA	NA
+PJ069026	PTKHHHH 	C39H56N16O9	892.4417	NA	PeJP	NA	NA
+PJ069027	SDKKEMR 	C35H64N12O13S	892.4437	NA	PeJP	NA	NA
+PJ069028	SSSLKWW 	C43H60N10O11	892.4443	NA	PeJP	NA	NA
+PJ069029	GGGGALLYW 	C43H60N10O11	892.4444	NA	PeJP	NA	NA
+PJ069030	PCKKMMR 	C36H68N12O8S3	892.4446	NA	PeJP	NA	NA
+PJ069031	PPCQHRR 	C36H60N16O9S	892.445	NA	PeJP	NA	NA
+PJ069032	ATKKEMW 	C40H64N10O11S	892.4477	NA	PeJP	NA	NA
+PJ069033	LLEFWW 	C48H60N8O9	892.4484	NA	PeJP	NA	NA
+PJ069034	MHFFRR 	C41H60N14O7S	892.4491	NA	PeJP	NA	NA
+PJ069035	GTTTKKEE 	C36H64N10O16	892.4502	NA	PeJP	NA	NA
+PJ069036	TLLEMMR 	C37H68N10O11S2	892.4511	NA	PeJP	NA	NA
+PJ069037	SSTTRRW 	C37H60N14O12	892.4515	NA	PeJP	NA	NA
+PJ069038	AAQERRY 	C37H60N14O12	892.4516	NA	PeJP	NA	NA
+PJ069039	APLLMYW 	C45H64N8O9S	892.4517	NA	PeJP	NA	NA
+PJ069040	GLHHHHR 	C38H56N18O8	892.4529	NA	PeJP	NA	NA
+PJ069041	VLLQEEY 	C41H64N8O14	892.4542	NA	PeJP	NA	NA
+PJ069042	SSKEMRR 	C34H64N14O12S	892.4549	NA	PeJP	NA	NA
+PJ069043	SLLLMMW 	C42H68N8O9S2	892.4551	NA	PeJP	NA	NA
+PJ069044	GSPKRYW 	C42H60N12O10	892.4556	NA	PeJP	NA	NA
+PJ069045	GCKHHRR 	C35H60N18O8S	892.4563	NA	PeJP	NA	NA
+MJ097065	Brasilicardin A 	C45H68N2O16	892.456884	NA	MeJP	NA	NA
+PJ069046	SSTLLLEM 	C38H68N8O14S	892.4576	NA	PeJP	NA	NA
+PJ069047	AALLLMMM 	C39H72N8O9S3	892.4585	NA	PeJP	NA	NA
+PJ069048	ATTKMRW 	C39H64N12O10S	892.4589	NA	PeJP	NA	NA
+PJ069049	GGSCKKKW 	C39H64N12O10S	892.459	NA	PeJP	NA	NA
+PJ069050	VQKFWW 	C47H60N10O8	892.4596	NA	PeJP	NA	NA
+PJ069051	SSSSLKER 	C35H64N12O15	892.4614	NA	PeJP	NA	NA
+PJ069052	GGGGSTTTKK 	C35H64N12O15	892.4615	NA	PeJP	NA	NA
+PJ069053	AKKEMMR 	C36H68N12O10S2	892.4623	NA	PeJP	NA	NA
+PJ069054	NERRRY 	C36H60N16O11	892.4628	NA	PeJP	NA	NA
+PJ069055	GPKKMFW 	C44H64N10O8S	892.463	NA	PeJP	NA	NA
+PJ069056	TTTKKEW 	C40H64N10O13	892.4655	NA	PeJP	NA	NA
+PJ069057	SSTMRRR 	C33H64N16O11S	892.4662	NA	PeJP	NA	NA
+PJ069058	GLKKMMW 	C41H68N10O8S2	892.4663	NA	PeJP	NA	NA
+PJ069059	VNRRYW 	C41H60N14O9	892.4668	NA	PeJP	NA	NA
+PJ069060	TKKKEEM 	C37H68N10O13S	892.4688	NA	PeJP	NA	NA
+MJ097066	Neoviridogrisein III 	C45H64N8O11	892.469454	NA	MeJP	NA	NA
+PJ069061	GLLLEYW 	C45H64N8O11	892.4695	NA	PeJP	NA	NA
+PJ069062	VLLMMMR 	C38H72N10O8S3	892.4697	NA	PeJP	NA	NA
+PJ069063	APCKRRY 	C38H64N14O9S	892.4702	NA	PeJP	NA	NA
+PJ069064	AKFRWW 	C46H60N12O7	892.4708	NA	PeJP	NA	NA
+PJ069065	SSSSTLRR 	C34H64N14O14	892.4727	NA	PeJP	NA	NA
+PJ069066	PLLKEMY 	C42H68N8O11S	892.4729	NA	PeJP	NA	NA
+PJ069067	ATKMMRR 	C35H68N14O9S2	892.4735	NA	PeJP	NA	NA
+PJ069068	SCLKMRR 	C35H68N14O9S2	892.4736	NA	PeJP	NA	NA
+PJ069069	GPDHRRR 	C35H60N18O10	892.474	NA	PeJP	NA	NA
+PJ069070	ATTLLLMM 	C39H72N8O11S2	892.4762	NA	PeJP	NA	NA
+PJ069071	TTTTKRW 	C39H64N12O12	892.4767	NA	PeJP	NA	NA
+PJ069072	GRRRYW 	C40H60N16O8	892.478	NA	PeJP	NA	NA
+PJ069073	PPLHHHR 	C40H60N16O8	892.4781	NA	PeJP	NA	NA
+PJ069074	TTKKEMR 	C36H68N12O12S	892.4801	NA	PeJP	NA	NA
+PJ069075	APTKKYW 	C44H64N10O10	892.4807	NA	PeJP	NA	NA
+PJ069076	QMFRRR 	C37H64N16O8S	892.4814	NA	PeJP	NA	NA
+MJ097067	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[6-O-Methyl-?-D-glucuronopyranosyl-(1?2)-6-O-butyl-?-D-glucuronopyranoside] 	C47H72O16	892.482036	NA	MeJP	NA	NA
+PJ069077	STLKKMW 	C41H68N10O10S	892.4841	NA	PeJP	NA	NA
+PJ069078	LLLYWW 	C49H64N8O8	892.4847	NA	PeJP	NA	NA
+PJ069079	APLLFFW 	C49H64N8O8	892.4848	NA	PeJP	NA	NA
+PJ069080	SSTTLKKE 	C37H68N10O15	892.4866	NA	PeJP	NA	NA
+PJ069081	VKKKEMM 	C38H72N10O10S2	892.4875	NA	PeJP	NA	NA
+PJ069082	AAKERRY 	C38H64N14O11	892.4879	NA	PeJP	NA	NA
+PJ069083	GGGGAKKRY 	C38H64N14O11	892.488	NA	PeJP	NA	NA
+PJ069084	ALLLMFW 	C46H68N8O8S	892.4881	NA	PeJP	NA	NA
+PJ069085	VLLKEEY 	C42H68N8O13	892.4906	NA	PeJP	NA	NA
+PJ069086	TTTKMRR 	C35H68N14O11S	892.4913	NA	PeJP	NA	NA
+PJ069087	LQKRYW 	C43H64N12O9	892.492	NA	PeJP	NA	NA
+PJ069088	CFRRRR 	C36H64N18O7S	892.4927	NA	PeJP	NA	NA
+PJ069089	TTTTLLLM 	C39H72N8O13S	892.494	NA	PeJP	NA	NA
+PJ069090	APKKMRY 	C40H68N12O9S	892.4953	NA	PeJP	NA	NA
+PJ069091	VKKFWW 	C48H64N10O7	892.496	NA	PeJP	NA	NA
+PJ069092	SSTTTLKR 	C36H68N12O14	892.4978	NA	PeJP	NA	NA
+PJ069093	SLKKMMR 	C37H72N12O9S2	892.4987	NA	PeJP	NA	NA
+MJ097068	Chlorophyll b 	C54H68MgN4O6	892.498927	NA	MeJP	NA	NA
+PJ069094	DKRRRY 	C37H64N16O10	892.4992	NA	PeJP	NA	NA
+PJ069095	SLLLERY 	C41H68N10O12	892.5018	NA	PeJP	NA	NA
+PJ069096	TLLLDRY 	C41H68N10O12	892.5019	NA	PeJP	NA	NA
+PJ069097	TKFRRW 	C42H64N14O8	892.5032	NA	PeJP	NA	NA
+PJ069098	SSSLLKKM 	C38H72N10O12S	892.5052	NA	PeJP	NA	NA
+PJ069099	SVLLLYW 	C46H68N8O10	892.5059	NA	PeJP	NA	NA
+PJ069100	GVKMFRR 	C39H68N14O8S	892.5066	NA	PeJP	NA	NA
+PJ069101	LLLLQMY 	C43H72N8O10S	892.5092	NA	PeJP	NA	NA
+PJ069102	GALLLLMY 	C43H72N8O10S	892.5093	NA	PeJP	NA	NA
+PJ069103	CCKKKKR 	C36H72N14O8S2	892.5099	NA	PeJP	NA	NA
+PJ069104	SRRRRY 	C36H64N18O9	892.5104	NA	PeJP	NA	NA
+PJ069105	GLKKERY 	C40H68N12O11	892.5131	NA	PeJP	NA	NA
+PJ069106	GSSKKKKM 	C37H72N12O11S	892.5165	NA	PeJP	NA	NA
+PJ069107	GVLKKYW 	C45H68N10O9	892.5171	NA	PeJP	NA	NA
+PJ069108	KMFRRR 	C38H68N16O7S	892.5178	NA	PeJP	NA	NA
+PJ069109	VVLLMRY 	C42H72N10O9S	892.5205	NA	PeJP	NA	NA
+PJ069110	TTTTTLKK 	C38H72N10O14	892.523	NA	PeJP	NA	NA
+PJ069111	GTLKRRY 	C39H68N14O10	892.5243	NA	PeJP	NA	NA
+PJ069112	GTTLLLLY 	C43H72N8O12	892.527	NA	PeJP	NA	NA
+PJ069113	LKKRYW 	C44H68N12O8	892.5283	NA	PeJP	NA	NA
+PJ069114	PPPLKRW 	C44H68N12O8	892.5284	NA	PeJP	NA	NA
+PJ069115	ALKKMFR 	C41H72N12O8S	892.5317	NA	PeJP	NA	NA
+MJ097069	Oscillol; 2,2'-Di-O-?-L-rhamnopyranoside 	C52H76O12	892.533677	NA	MeJP	NA	NA
+MJ097070	Zeaxanthin; Di-O-?-D-glucopyranoside 	C52H76O12	892.533677	NA	MeJP	NA	NA
+C15969	Zeaxanthin diglucoside	C52H76O12	892.5337	NA	KEGG	NA	NA
+C16275	(2S,2'S)-Oscillol 2,2'-di(alpha-L-fucoside)	C52H76O12	892.5337	NA	KEGG	NA	NA
+PJ069116	SSSTKKKK 	C37H72N12O13	892.5342	NA	PeJP	NA	NA
+PJ069117	CKKKKKM 	C38H76N12O8S2	892.5351	NA	PeJP	NA	NA
+C05306	Chlorophyll a	C55H72MgN4O5	892.5353	NA	KEGG	NA	NA
+MJ097071	Chlorophyll a 	C55H72MgN4O5	892.535313	NA	MeJP	NA	NA
+MetaCyc04253	chlorophyll a [chlorophyll a;]	C55H72N4O5MG1	892.535313	NA	metacyc	NA	NA
+PJ069118	SPLKHRR 	C38H68N16O9	892.5356	NA	PeJP	NA	NA
+PJ069119	VVKKKEY 	C42H72N10O11	892.5382	NA	PeJP	NA	NA
+PJ069120	GVLLLLEH 	C42H72N10O11	892.5383	NA	PeJP	NA	NA
+MJ097072	Hymenistatin I 	C47H72N8O9	892.542225	NA	MeJP	NA	NA
+PJ069121	PLLLKFY 	C47H72N8O9	892.5423	NA	PeJP	NA	NA
+PJ069122	LLLLKMY 	C44H76N8O9S	892.5456	NA	PeJP	NA	NA
+PJ069123	GVLHRRR 	C37H68N18O8	892.5468	NA	PeJP	NA	NA
+PJ069124	SVLKKRY 	C41H72N12O10	892.5495	NA	PeJP	NA	NA
+PJ069125	VLLLLHW 	C46H72N10O8	892.5535	NA	PeJP	NA	NA
+PJ069126	VLKKKMF 	C43H76N10O8S	892.5569	NA	PeJP	NA	NA
+PJ069127	LHRRRR 	C36H68N20O7	892.558	NA	PeJP	NA	NA
+PJ069128	AAPPLLRR 	C40H72N14O9	892.5607	NA	PeJP	NA	NA
+PJ069129	PPVLLLLE 	C44H76N8O11	892.5634	NA	PeJP	NA	NA
+PJ069130	ALLKHRR 	C39H72N16O8	892.5719	NA	PeJP	NA	NA
+PJ069131	PPVLRRR 	C39H72N16O8	892.572	NA	PeJP	NA	NA
+PJ069132	TLLKKKY 	C43H76N10O10	892.5746	NA	PeJP	NA	NA
+PJ069133	LLLLKFF 	C48H76N8O8	892.5787	NA	PeJP	NA	NA
+PJ069134	AKKKKKY 	C42H76N12O9	892.5859	NA	PeJP	NA	NA
+PJ069135	VLLKKHR 	C41H76N14O8	892.5971	NA	PeJP	NA	NA
+PJ069136	PPVVLLKK 	C44H80N10O9	892.611	NA	PeJP	NA	NA
+MJ097073	S 365A 	C47H88O15	892.612322	NA	MeJP	NA	NA
+PJ069137	PVLLLLLL 	C46H84N8O9	892.6362	NA	PeJP	NA	NA
+MetaCyc04254	5-hydroxythiophene-2-carbonyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-[2-[(5-hydroxy-2-thienyl)carbonylsulfanyl] ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;]	C26H38N7O18P3S2	893.092758	NA	metacyc	NA	NA
+C07348	5-Hydroxythiophene-2-carbonyl-CoA	C26H38N7O18P3S2	893.0928	NA	KEGG	NA	NA
+C03231	3-Methylglutaconyl-CoA	C27H42N7O19P3S	893.1469	NA	KEGG	NA	NA
+C14144	5-Carboxy-2-pentenoyl-CoA	C27H42N7O19P3S	893.1469	NA	KEGG	NA	NA
+MJ097074	3-Methylglutaconyl-CoA 	C27H42N7O19P3S	893.146902	NA	MeJP	NA	NA
+MetaCyc04255	trans-2,3-dehydroadipyl-coA []	C27H42N7O19P3S1	893.146902	NA	metacyc	NA	NA
+MetaCyc04256	cis-3,4-dehydroadipyl-CoA []	C27H42N7O19P3S1	893.146902	NA	metacyc	NA	NA
+MetaCyc04257	3,6-lactone of 3-hydroxyadinyl-CoA []	C27H42N7O19P3S1	893.146902	NA	metacyc	NA	NA
+MetaCyc04258	3-methylglutaconyl-CoA [trans-3-methylglutaconyl-CoA;]	C27H42N7O19P3S1	893.146902	NA	metacyc	NA	NA
+HMDB01057	3-Methylglutaconyl-CoA	C27H42N7O19P3S	893.14691	http://www.hmdb.ca/metabolites/HMDB01057	HMDB	NA	NA
+HMDB01057	3-Methylglutaconyl-CoA	C27H42N7O19P3S	893.14691	HMDB01057	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01057	3-Methylglutaconyl-CoA	C27H42N7O19P3S	893.146912	NA	HMDB2010	NA	NA
+PJ069138	GPCCCCCCC 	C28H47N9O10S7	893.1491	NA	PeJP	NA	NA
+PJ069139	CCCCCNDM 	C28H47N9O12S6	893.1669	NA	PeJP	NA	NA
+PJ069140	ACCCCCCW 	C32H47N9O9S6	893.1821	NA	PeJP	NA	NA
+MetaCyc04259	2-hydroxy-cyclohexane-1-carboxyl-CoA [2-hydroxy-cyclohexane-1-carbonyl-CoA;]	C28H46N7O18P3S1	893.183288	NA	metacyc	NA	NA
+C09812	2-Hydroxycyclohexane-1-carboxyl-CoA	C28H46N7O18P3S	893.1833	NA	KEGG	NA	NA
+C16469	3-Hydroxy-5-methylhex-4-enoyl-CoA	C28H46N7O18P3S	893.1833	NA	KEGG	NA	NA
+PJ069141	GSSCCCCCE 	C28H47N9O14S5	893.1846	NA	PeJP	NA	NA
+PJ069142	SSCCCCCW 	C32H47N9O11S5	893.1999	NA	PeJP	NA	NA
+PJ069143	SSSSCCCCD 	C28H47N9O16S4	893.2024	NA	PeJP	NA	NA
+PJ069144	SCCCCNMM 	C29H51N9O11S6	893.2033	NA	PeJP	NA	NA
+MetaCyc04260	crotonobetainyl-CoA []	C28H48N8O17P3S1	893.207097	NA	metacyc	NA	NA
+PJ069145	TCCCCCCR 	C28H51N11O10S6	893.2145	NA	PeJP	NA	NA
+PJ069146	GCCCCNEY 	C32H47N9O13S4	893.2177	NA	PeJP	NA	NA
+HMDB01070	Octanoyl-CoA	C29H50N7O17P3S	893.219666	NA	HMDB2010	NA	NA
+HMDB01070	Octanoyl-CoA	C29H50N7O17P3S	893.21967	http://www.hmdb.ca/metabolites/HMDB01070	HMDB	NA	NA
+HMDB01070	Octanoyl-CoA	C29H50N7O17P3S	893.21967	HMDB01070	PFEM_hmdb_metabocards_official	NA	NA
+MJ097075	Octanoyl-CoA 	C29H50N7O17P3S	893.219673	NA	MeJP	NA	NA
+MetaCyc04261	octanoyl-CoA [capryloyl-CoA;octanoyl-CoA;]	C29H50N7O17P3S1	893.219673	NA	metacyc	NA	NA
+MetaCyc04262	octanoyl-CoA [Octanoyl-CoA (n-C8:0CoA);capryloyl-CoA;]	C29H50N7O17P3S1	893.219673	NA	metacyc	NA	NA
+C01944	Octanoyl-CoA	C29H50N7O17P3S	893.2197	NA	KEGG	NA	NA
+PJ069147	GSSTCCCCM 	C29H51N9O13S5	893.221	NA	PeJP	NA	NA
+PJ069148	PCCCCNDH 	C31H47N11O12S4	893.2289	NA	PeJP	NA	NA
+PJ069149	CCCCNYW 	C36H47N9O10S4	893.2329	NA	PeJP	NA	NA
+PJ069150	SSCCCNDY 	C32H47N9O15S3	893.2354	NA	PeJP	NA	NA
+PJ069151	GCCCCQMF 	C33H51N9O10S5	893.2363	NA	PeJP	NA	NA
+PJ069152	SSSSSCCCM 	C29H51N9O15S4	893.2388	NA	PeJP	NA	NA
+PJ069153	TCCCCCKM 	C30H55N9O10S6	893.2397	NA	PeJP	NA	NA
+PJ069154	CCDEMMY 	C34H51N7O13S4	893.2428	NA	PeJP	NA	NA
+PJ069155	GCCNDDMH 	C31H47N11O14S3	893.2467	NA	PeJP	NA	NA
+PJ069156	GCCCCCFR 	C32H51N11O9S5	893.2475	NA	PeJP	NA	NA
+PJ069157	GNDDDDDE 	C31H43N9O22	893.2523	NA	PeJP	NA	NA
+PJ069158	GSCCCQMY 	C33H51N9O12S4	893.254	NA	PeJP	NA	NA
+PJ069159	GPPPCCCCD 	C33H51N9O12S4	893.2541	NA	PeJP	NA	NA
+PJ069160	CCDDEFY 	C37H47N7O15S2	893.2572	NA	PeJP	NA	NA
+PJ069161	SCCCNNNH 	C30H47N13O13S3	893.2579	NA	PeJP	NA	NA
+PJ069162	CCEMMMF 	C35H55N7O10S5	893.2614	NA	PeJP	NA	NA
+PJ069163	CCCNEHW 	C35H47N11O11S3	893.2619	NA	PeJP	NA	NA
+PJ069164	SSCCNDEH 	C31H47N11O16S2	893.2644	NA	PeJP	NA	NA
+PJ069165	GSCCCCRY 	C32H51N11O11S4	893.2653	NA	PeJP	NA	NA
+PJ069166	NDDDDDW 	C35H43N9O19	893.2676	NA	PeJP	NA	NA
+PJ069167	CCNNDYY 	C36H47N9O14S2	893.2684	NA	PeJP	NA	NA
+PJ069168	SPCNDDDE 	C32H47N9O19S	893.2709	NA	PeJP	NA	NA
+PJ069169	SSSCCNMY 	C33H51N9O14S3	893.2718	NA	PeJP	NA	NA
+PJ069170	GCCCCKMF 	C34H55N9O9S5	893.2727	NA	PeJP	NA	NA
+PJ069171	SCDDEYY 	C37H47N7O17S	893.2749	NA	PeJP	NA	NA
+PJ069172	PCCDMYY 	C38H51N7O12S3	893.2758	NA	PeJP	NA	NA
+PJ069173	GCCCHWW 	C39H47N11O8S3	893.2772	NA	PeJP	NA	NA
+PJ069174	DDEEEEE 	C33H47N7O22	893.2775	NA	PeJP	NA	NA
+PJ069175	SCEMMMY 	C35H55N7O12S4	893.2792	NA	PeJP	NA	NA
+PJ069176	GSSCCDHW 	C35H47N11O13S2	893.2797	NA	PeJP	NA	NA
+PJ069177	GSSSSCDDH 	C31H47N11O18S	893.2822	NA	PeJP	NA	NA
+PJ069178	GSCNDMMH 	C32H51N11O13S3	893.283	NA	PeJP	NA	NA
+PJ069179	GGGGGSPPCCC 	C32H51N11O13S3	893.2831	NA	PeJP	NA	NA
+PJ069180	GSPCDDDW 	C36H47N9O16S	893.2862	NA	PeJP	NA	NA
+MJ097076	Coenzyme F430 	C41H51N6NiO13	893.286758	NA	MeJP	NA	NA
+PJ069181	CCNNMFY 	C37H51N9O11S3	893.287	NA	PeJP	NA	NA
+PJ069182	GPPCCCEW 	C37H51N9O11S3	893.2871	NA	PeJP	NA	NA
+PJ069183	GSNDDEEE 	C32H47N9O21	893.2887	NA	PeJP	NA	NA
+PJ069184	GSSSSTCCY 	C33H51N9O16S2	893.2895	NA	PeJP	NA	NA
+PJ069185	GPNDDDMM 	C33H51N9O16S2	893.2896	NA	PeJP	NA	NA
+PJ069186	GSCCCKMY 	C34H55N9O11S4	893.2904	NA	PeJP	NA	NA
+PJ069187	CDDMHHH 	C34H47N13O12S2	893.2909	NA	PeJP	NA	NA
+PJ069188	SCNNNNND 	C30H47N13O17S	893.2934	NA	PeJP	NA	NA
+PJ069189	GDDMMYY 	C38H51N7O14S2	893.2936	NA	PeJP	NA	NA
+PJ069190	GSCCCEHR 	C31H51N13O12S3	893.2943	NA	PeJP	NA	NA
+PJ069191	PCCMMFY 	C39H55N7O9S4	893.2944	NA	PeJP	NA	NA
+PJ069192	CNNNDEW 	C35H47N11O15S	893.2974	NA	PeJP	NA	NA
+PJ069193	GMMMMMY 	C36H59N7O9S5	893.2978	NA	PeJP	NA	NA
+PJ069194	SCCQMHW 	C36H51N11O10S3	893.2983	NA	PeJP	NA	NA
+PJ069195	GSDDDDDR 	C31H47N11O20	893.2999	NA	PeJP	NA	NA
+PJ069196	GPCCDDER 	C32H51N11O15S2	893.3008	NA	PeJP	NA	NA
+PJ069197	CNQMMMH 	C33H55N11O10S4	893.3016	NA	PeJP	NA	NA
+PJ069198	GGCQMMMH 	C33H55N11O10S4	893.3017	NA	PeJP	NA	NA
+PJ069199	GSCCNHHH 	C33H47N15O11S2	893.3021	NA	PeJP	NA	NA
+PJ069200	PPCCCWW 	C41H51N9O8S3	893.3023	NA	PeJP	NA	NA
+PJ069201	SNDDEEW 	C36H47N9O18	893.3039	NA	PeJP	NA	NA
+PJ069202	GGSDDEEW 	C36H47N9O18	893.304	NA	PeJP	NA	NA
+PJ069203	PCNDEMW 	C37H51N9O13S2	893.3048	NA	PeJP	NA	NA
+PJ069204	SSSSSSSCY 	C33H51N9O18S	893.3073	NA	PeJP	NA	NA
+PJ069205	GDDDFYY 	C41H47N7O16	893.308	NA	PeJP	NA	NA
+PJ069206	SSTCCCKY 	C34H55N9O13S3	893.3082	NA	PeJP	NA	NA
+PJ069207	GPCNDDHH 	C34H47N13O14S	893.3087	NA	PeJP	NA	NA
+PJ069208	CEMYYW 	C42H51N7O11S2	893.3088	NA	PeJP	NA	NA
+PJ069209	SCCCHRW 	C35H51N13O9S3	893.3095	NA	PeJP	NA	NA
+PJ069210	SSDEMYY 	C38H51N7O16S	893.3113	NA	PeJP	NA	NA
+PJ069211	SSSCCDHR 	C31H51N13O14S2	893.312	NA	PeJP	NA	NA
+PJ069212	GGGGGGGGGCQM 	C31H51N13O14S2	893.3121	NA	PeJP	NA	NA
+PJ069213	SPCMMYY 	C39H55N7O11S3	893.3122	NA	PeJP	NA	NA
+PJ069214	GCNNDWW 	C39H47N11O12S	893.3127	NA	PeJP	NA	NA
+PJ069215	CCNMMHR 	C32H55N13O9S4	893.3129	NA	PeJP	NA	NA
+PJ069216	TEEEEEE 	C34H51N7O21	893.3138	NA	PeJP	NA	NA
+PJ069217	PEEEEMM 	C35H55N7O16S2	893.3147	NA	PeJP	NA	NA
+PJ069218	GSSNNDDW 	C35H47N11O17	893.3152	NA	PeJP	NA	NA
+PJ069219	STMMMMY 	C36H59N7O11S4	893.3156	NA	PeJP	NA	NA
+PJ069220	PCCDDRW 	C36H51N11O12S2	893.316	NA	PeJP	NA	NA
+PJ069221	GGGSPCCQW 	C36H51N11O12S2	893.3161	NA	PeJP	NA	NA
+PJ069222	CNDEEER 	C32H51N11O17S	893.3185	NA	PeJP	NA	NA
+PJ069223	NDDDEMR 	C32H51N11O17S	893.3186	NA	PeJP	NA	NA
+PJ069224	GSDDEWW 	C40H47N9O15	893.3192	NA	PeJP	NA	NA
+PJ069225	SPPCCCER 	C33H55N11O12S3	893.3194	NA	PeJP	NA	NA
+PJ069226	GPCDMWW 	C41H51N9O10S2	893.3201	NA	PeJP	NA	NA
+PJ069227	GNEEEMW 	C37H51N9O15S	893.3226	NA	PeJP	NA	NA
+PJ069228	GCCNNNNR 	C30H51N15O13S2	893.3233	NA	PeJP	NA	NA
+PJ069229	GPPTCCMW 	C38H55N9O10S3	893.3234	NA	PeJP	NA	NA
+PJ069230	GAPPPCCCF 	C38H55N9O10S3	893.3235	NA	PeJP	NA	NA
+PJ069231	GSSQEEEE 	C33H51N9O20	893.3251	NA	PeJP	NA	NA
+PJ069232	GSPNEEMM 	C34H55N9O15S2	893.3259	NA	PeJP	NA	NA
+PJ069233	GGGSPEEMM 	C34H55N9O15S2	893.326	NA	PeJP	NA	NA
+PJ069234	NNDEEHH 	C34H47N13O16	893.3264	NA	PeJP	NA	NA
+PJ069235	GPCEYYY 	C42H51N7O13S	893.3266	NA	PeJP	NA	NA
+PJ069236	VDMMMMH 	C35H59N9O10S4	893.3268	NA	PeJP	NA	NA
+PJ069237	CCNDHFR 	C35H51N13O11S2	893.3273	NA	PeJP	NA	NA
+PJ069238	PCCMFFF 	C43H55N7O8S3	893.3275	NA	PeJP	NA	NA
+PJ069239	PDEEEEF 	C38H51N7O18	893.3291	NA	PeJP	NA	NA
+PJ069240	CDDDDRR 	C31H51N13O16S	893.3298	NA	PeJP	NA	NA
+PJ069241	GTEMMYY 	C39H55N7O13S2	893.33	NA	PeJP	NA	NA
+PJ069242	GSTCCMHR 	C32H55N13O11S3	893.3307	NA	PeJP	NA	NA
+PJ069243	GMMMMFF 	C40H59N7O8S4	893.3308	NA	PeJP	NA	NA
+PJ069244	GCNMHFW 	C40H51N11O9S2	893.3313	NA	PeJP	NA	NA
+PJ069245	VEEEEEM 	C35H55N7O18S	893.3325	NA	PeJP	NA	NA
+PJ069246	GDDDMRW 	C36H51N11O14S	893.3338	NA	PeJP	NA	NA
+PJ069247	SDDWWW 	C44H47N9O12	893.3345	NA	PeJP	NA	NA
+PJ069248	SCCKMHW 	C37H55N11O9S3	893.3347	NA	PeJP	NA	NA
+PJ069249	GSSDDEER 	C32H51N11O19	893.3363	NA	PeJP	NA	NA
+PJ069250	GSPCDEMR 	C33H55N11O14S2	893.3372	NA	PeJP	NA	NA
+PJ069251	GSNNNDHH 	C33H47N15O15	893.3376	NA	PeJP	NA	NA
+PJ069252	GGGSNNDHH 	C33H47N15O15	893.3377	NA	PeJP	NA	NA
+PJ069253	NEEMWW 	C41H51N9O12S	893.3378	NA	PeJP	NA	NA
+PJ069254	CNKMMMH 	C34H59N11O9S4	893.338	NA	PeJP	NA	NA
+PJ069255	GPPCCMMR 	C34H59N11O9S4	893.3381	NA	PeJP	NA	NA
+PJ069256	SSQEEEW 	C37H51N9O17	893.3403	NA	PeJP	NA	NA
+PJ069257	SPNEMMW 	C38H55N9O12S2	893.3412	NA	PeJP	NA	NA
+PJ069258	GNDEHHW 	C38H47N13O13	893.3417	NA	PeJP	NA	NA
+PJ069259	PCYYYW 	C46H51N7O10S	893.3418	NA	PeJP	NA	NA
+PJ069260	NDKEEEM 	C34H55N9O17S	893.3437	NA	PeJP	NA	NA
+PJ069261	QEEYYY 	C42H51N7O15	893.3443	NA	PeJP	NA	NA
+PJ069262	PQQEMMM 	C35H59N9O12S3	893.3446	NA	PeJP	NA	NA
+PJ069263	SCNNDRW 	C35H51N13O13S	893.345	NA	PeJP	NA	NA
+PJ069264	GGGGSCDRW 	C35H51N13O13S	893.3451	NA	PeJP	NA	NA
+PJ069265	TMMYYW 	C43H55N7O10S2	893.3452	NA	PeJP	NA	NA
+PJ069266	AMMMHHH 	C36H55N13O8S3	893.3459	NA	PeJP	NA	NA
+PJ069267	SCHHHHH 	C36H47N17O9S	893.3464	NA	PeJP	NA	NA
+PJ069268	SSSNNDDR 	C31H51N13O18	893.3475	NA	PeJP	NA	NA
+PJ069269	GGGGSSSDDR 	C31H51N13O18	893.3476	NA	PeJP	NA	NA
+PJ069270	STTEMYY 	C39H55N7O15S	893.3477	NA	PeJP	NA	NA
+PJ069271	SSSSCMHR 	C32H55N13O13S2	893.3484	NA	PeJP	NA	NA
+PJ069272	GVMMMYY 	C40H59N7O10S3	893.3486	NA	PeJP	NA	NA
+PJ069273	CDERWW 	C40H51N11O11S	893.3491	NA	PeJP	NA	NA
+PJ069274	NNNQEEF 	C36H51N11O16	893.3515	NA	PeJP	NA	NA
+PJ069275	SSDDERW 	C36H51N11O16	893.3516	NA	PeJP	NA	NA
+PJ069276	SPCDMRW 	C37H55N11O11S2	893.3524	NA	PeJP	NA	NA
+PJ069277	GGGGGAAMMW 	C37H55N11O11S2	893.3525	NA	PeJP	NA	NA
+PJ069278	PDDHHHH 	C37H47N15O12	893.3529	NA	PeJP	NA	NA
+PJ069279	GEMWWW 	C45H51N9O9S	893.3531	NA	PeJP	NA	NA
+PJ069280	SNEEEMR 	C33H55N11O16S	893.3549	NA	PeJP	NA	NA
+PJ069281	GGGGGSDKEM 	C33H55N11O16S	893.355	NA	PeJP	NA	NA
+PJ069282	GSTEEWW 	C41H51N9O14	893.3556	NA	PeJP	NA	NA
+PJ069283	PNDMMMR 	C34H59N11O11S3	893.3558	NA	PeJP	NA	NA
+PJ069284	NNNQMHH 	C34H51N15O12S	893.3563	NA	PeJP	NA	NA
+PJ069285	APTCMWW 	C42H55N9O9S2	893.3564	NA	PeJP	NA	NA
+PJ069286	GSPMMWW 	C42H55N9O9S2	893.3565	NA	PeJP	NA	NA
+PJ069287	NDHHWW 	C42H47N13O10	893.3569	NA	PeJP	NA	NA
+PJ069288	SCLQEEW 	C38H55N9O14S	893.3589	NA	PeJP	NA	NA
+PJ069289	GDKEEMW 	C38H55N9O14S	893.359	NA	PeJP	NA	NA
+PJ069290	AEYYYW 	C46H51N7O12	893.3596	NA	PeJP	NA	NA
+PJ069291	GGCCNERR 	C31H55N15O12S2	893.3597	NA	PeJP	NA	NA
+PJ069292	APQMMMW 	C39H59N9O9S3	893.3598	NA	PeJP	NA	NA
+PJ069293	SPCQHHW 	C39H51N13O10S	893.3603	NA	PeJP	NA	NA
+PJ069294	SSSLNEEE 	C34H55N9O19	893.3614	NA	PeJP	NA	NA
+PJ069295	GSSKEEEE 	C34H55N9O19	893.3615	NA	PeJP	NA	NA
+PJ069296	VQQEEMM 	C35H59N9O14S2	893.3623	NA	PeJP	NA	NA
+PJ069297	NNNNQQY 	C35H51N13O15	893.3628	NA	PeJP	NA	NA
+PJ069298	GPTMYYY 	C43H55N7O12S	893.363	NA	PeJP	NA	NA
+PJ069299	TLMMMMH 	C36H63N9O9S4	893.3632	NA	PeJP	NA	NA
+PJ069300	GCNQMRW 	C36H55N13O10S2	893.3637	NA	PeJP	NA	NA
+PJ069301	GCHHFFF 	C44H51N11O8S	893.3643	NA	PeJP	NA	NA
+PJ069302	PVEEEEY 	C39H55N7O17	893.3655	NA	PeJP	NA	NA
+PJ069303	SDDDMRR 	C32H55N13O15S	893.3662	NA	PeJP	NA	NA
+PJ069304	SSLMMYY 	C40H59N7O12S2	893.3663	NA	PeJP	NA	NA
+PJ069305	SSSNQWW 	C40H51N11O13	893.3668	NA	PeJP	NA	NA
+PJ069306	PCCEMRR 	C33H59N13O10S3	893.367	NA	PeJP	NA	NA
+PJ069307	GGAPCCCKR 	C33H59N13O10S3	893.3671	NA	PeJP	NA	NA
+PJ069308	CNNNHHR 	C33H51N17O11S	893.3675	NA	PeJP	NA	NA
+PJ069309	ACCKHFW 	C41H55N11O8S2	893.3677	NA	PeJP	NA	NA
+PJ069310	MWWWW 	C49H51N9O6S	893.3683	NA	PeJP	NA	NA
+PJ069311	GSEEMRW 	C37H55N11O13S	893.3702	NA	PeJP	NA	NA
+PJ069312	STEWWW 	C45H51N9O11	893.3708	NA	PeJP	NA	NA
+PJ069313	APCMMRW 	C38H59N11O8S3	893.3711	NA	PeJP	NA	NA
+PJ069314	GSSTEEER 	C33H55N11O18	893.3727	NA	PeJP	NA	NA
+PJ069315	TQQQQMM 	C34H59N11O13S2	893.3735	NA	PeJP	NA	NA
+PJ069316	AQEEMMR 	C34H59N11O13S2	893.3736	NA	PeJP	NA	NA
+PJ069317	SNDEHHR 	C34H51N15O14	893.374	NA	PeJP	NA	NA
+PJ069318	GGGGGGGTTHH 	C34H51N15O14	893.3741	NA	PeJP	NA	NA
+PJ069319	DKEMWW 	C42H55N9O11S	893.3742	NA	PeJP	NA	NA
+PJ069320	GCCNRRW 	C35H55N15O9S2	893.3749	NA	PeJP	NA	NA
+PJ069321	MHHHFW 	C43H51N13O7S	893.3756	NA	PeJP	NA	NA
+PJ069322	SSKEEEW 	C38H55N9O16	893.3767	NA	PeJP	NA	NA
+PJ069323	GSSCNDRR 	C31H55N15O14S	893.3774	NA	PeJP	NA	NA
+PJ069324	GLQEMMW 	C39H59N9O11S2	893.3776	NA	PeJP	NA	NA
+PJ069325	GTQEHHW 	C39H51N13O12	893.3781	NA	PeJP	NA	NA
+PJ069326	CLFYYW 	C47H55N7O9S	893.3782	NA	PeJP	NA	NA
+PJ069327	TQKEEEM 	C35H59N9O16S	893.3801	NA	PeJP	NA	NA
+PJ069328	KEEYYY 	C43H55N7O14	893.3807	NA	PeJP	NA	NA
+PJ069329	PQKEMMM 	C36H63N9O11S3	893.3809	NA	PeJP	NA	NA
+PJ069330	GAPKEMMM 	C36H63N9O11S3	893.381	NA	PeJP	NA	NA
+PJ069331	SSNNMRW 	C36H55N13O12S	893.3814	NA	PeJP	NA	NA
+PJ069332	GGGGGGAPPMH 	C36H55N13O12S	893.3815	NA	PeJP	NA	NA
+PJ069333	GVMMFFY 	C44H59N7O9S2	893.3816	NA	PeJP	NA	NA
+PJ069334	NNQFWW 	C44H51N11O10	893.3821	NA	PeJP	NA	NA
+PJ069335	SSSSNQER 	C32H55N13O17	893.3839	NA	PeJP	NA	NA
+PJ069336	PLEEEMF 	C40H59N7O14S	893.3841	NA	PeJP	NA	NA
+PJ069337	GDEMMRR 	C33H59N13O12S2	893.3848	NA	PeJP	NA	NA
+PJ069338	SEMRWW 	C41H55N11O10S	893.3854	NA	PeJP	NA	NA
+PJ069339	GGGTCKWW 	C41H55N11O10S	893.3855	NA	PeJP	NA	NA
+PJ069340	GPYWWW 	C49H51N9O8	893.3861	NA	PeJP	NA	NA
+PJ069341	LLEEEMM 	C37H63N7O14S2	893.3875	NA	PeJP	NA	NA
+PJ069342	SSTEERW 	C37H55N11O15	893.3879	NA	PeJP	NA	NA
+PJ069343	GGGSSSKEW 	C37H55N11O15	893.388	NA	PeJP	NA	NA
+PJ069344	AAEMMRW 	C38H59N11O10S2	893.3888	NA	PeJP	NA	NA
+PJ069345	GSDHHRW 	C38H51N15O11	893.3893	NA	PeJP	NA	NA
+PJ069346	SVMWWW 	C46H55N9O8S	893.3895	NA	PeJP	NA	NA
+PJ069347	SDKEEMR 	C34H59N11O15S	893.3913	NA	PeJP	NA	NA
+PJ069348	SSSLEWW 	C42H55N9O13	893.392	NA	PeJP	NA	NA
+PJ069349	PTQMMMR 	C35H63N11O10S3	893.3922	NA	PeJP	NA	NA
+PJ069350	CNQQKHH 	C35H55N15O11S	893.3926	NA	PeJP	NA	NA
+PJ069351	GQEMHHR 	C35H55N15O11S	893.3927	NA	PeJP	NA	NA
+PJ069352	LQMMWW 	C43H59N9O8S2	893.3928	NA	PeJP	NA	NA
+PJ069353	TQHHWW 	C43H51N13O9	893.3933	NA	PeJP	NA	NA
+PJ069354	ATKEEMW 	C39H59N9O13S	893.3953	NA	PeJP	NA	NA
+PJ069355	GGGAPLEMY 	C39H59N9O13S	893.3954	NA	PeJP	NA	NA
+PJ069356	SLYYYW 	C47H55N7O11	893.396	NA	PeJP	NA	NA
+PJ069357	APKMMMW 	C40H63N9O8S3	893.3962	NA	PeJP	NA	NA
+PJ069358	GVQMHHW 	C40H55N13O9S	893.3967	NA	PeJP	NA	NA
+PJ069359	GTTTKEEE 	C35H59N9O18	893.3978	NA	PeJP	NA	NA
+PJ069360	VQKEEMM 	C36H63N9O13S2	893.3987	NA	PeJP	NA	NA
+PJ069361	GSSSSQRW 	C36H55N13O14	893.3992	NA	PeJP	NA	NA
+PJ069362	AALMYYY 	C44H59N7O11S	893.3994	NA	PeJP	NA	NA
+PJ069363	ACCQKRW 	C37H59N13O9S2	893.4	NA	PeJP	NA	NA
+PJ069364	DMMRRW 	C37H59N13O9S2	893.4001	NA	PeJP	NA	NA
+PJ069365	AQQHHHH 	C37H51N17O10	893.4005	NA	PeJP	NA	NA
+PJ069366	PCFRWW 	C45H55N11O7S	893.4007	NA	PeJP	NA	NA
+PJ069367	VLEEEEF 	C40H59N7O16	893.4019	NA	PeJP	NA	NA
+PJ069368	GSSTQQMR 	C33H59N13O14S	893.4025	NA	PeJP	NA	NA
+PJ069369	SSEEMRR 	C33H59N13O14S	893.4026	NA	PeJP	NA	NA
+PJ069370	SSSNKWW 	C41H55N11O12	893.4032	NA	PeJP	NA	NA
+PJ069371	PTCMMRR 	C34H63N13O9S3	893.4034	NA	PeJP	NA	NA
+PJ069372	GCEHHRR 	C34H55N17O10S	893.4039	NA	PeJP	NA	NA
+PJ069373	CLMRWW 	C42H59N11O7S2	893.4041	NA	PeJP	NA	NA
+PJ069374	ATTEMRW 	C38H59N11O12S	893.4066	NA	PeJP	NA	NA
+PJ069375	PDKYWW 	C46H55N9O10	893.4072	NA	PeJP	NA	NA
+PJ069376	SCCNRRR 	C31H59N17O10S2	893.4073	NA	PeJP	NA	NA
+PJ069377	QMHHRW 	C39H55N15O8S	893.4079	NA	PeJP	NA	NA
+PJ069378	SSSSLEER 	C34H59N11O17	893.4091	NA	PeJP	NA	NA
+PJ069379	AKEEMMR 	C35H63N11O12S2	893.4099	NA	PeJP	NA	NA
+PJ069380	GGTLEMMR 	C35H63N11O12S2	893.41	NA	PeJP	NA	NA
+PJ069381	GNNDRRY 	C35H55N15O13	893.4104	NA	PeJP	NA	NA
+PJ069382	GGGGGGGGGPKH 	C35H55N15O13	893.4105	NA	PeJP	NA	NA
+PJ069383	GTTLMWW 	C43H59N9O10S	893.4106	NA	PeJP	NA	NA
+PJ069384	TFFFFW 	C51H55N7O8	893.4112	NA	PeJP	NA	NA
+PJ069385	GNHHHHR 	C36H51N19O9	893.4118	NA	PeJP	NA	NA
+PJ069386	TTTKEEW 	C39H59N9O15	893.4131	NA	PeJP	NA	NA
+PJ069387	GSSSNMRR 	C32H59N15O13S	893.4138	NA	PeJP	NA	NA
+PJ069388	GLKEMMW 	C40H63N9O10S2	893.414	NA	PeJP	NA	NA
+PJ069389	NQQRYW 	C40H55N13O11	893.4144	NA	PeJP	NA	NA
+PJ069390	GGGGAARYW 	C40H55N13O11	893.4145	NA	PeJP	NA	NA
+PJ069391	GVMFFFF 	C48H59N7O8S	893.4146	NA	PeJP	NA	NA
+PJ069392	TKKEEEM 	C36H63N9O15S	893.4165	NA	PeJP	NA	NA
+PJ069393	ATTLYYY 	C44H59N7O13	893.4171	NA	PeJP	NA	NA
+PJ069394	PKKEMMM 	C37H67N9O10S3	893.4173	NA	PeJP	NA	NA
+PJ069395	GGAALLMMM 	C37H67N9O10S3	893.4174	NA	PeJP	NA	NA
+PJ069396	SSCQKRW 	C37H59N13O11S	893.4178	NA	PeJP	NA	NA
+PJ069397	SPRYWW 	C45H55N11O9	893.4185	NA	PeJP	NA	NA
+PJ069398	CHHRRW 	C38H55N17O7S	893.4192	NA	PeJP	NA	NA
+PJ069399	SSSSNKER 	C33H59N13O16	893.4203	NA	PeJP	NA	NA
+PJ069400	PLLEEMY 	C41H63N7O13S	893.4205	NA	PeJP	NA	NA
+PJ069401	ATEMMRR 	C34H63N13O11S2	893.4212	NA	PeJP	NA	NA
+PJ069402	SSDHHRR 	C34H55N17O12	893.4217	NA	PeJP	NA	NA
+PJ069403	GSCKKWW 	C42H59N11O9S	893.4218	NA	PeJP	NA	NA
+PJ069404	GLFWWW 	C50H55N9O7	893.4225	NA	PeJP	NA	NA
+PJ069405	TTTTERW 	C38H59N11O14	893.4243	NA	PeJP	NA	NA
+PJ069406	GGGGGGLKEY 	C38H59N11O14	893.4244	NA	PeJP	NA	NA
+PJ069407	GTLMMRW 	C39H63N11O9S2	893.4252	NA	PeJP	NA	NA
+PJ069408	GTTHHRW 	C39H55N15O10	893.4257	NA	PeJP	NA	NA
+PJ069409	PKMFWW 	C47H59N9O7S	893.4259	NA	PeJP	NA	NA
+PJ069410	TTKEEMR 	C35H63N11O14S	893.4277	NA	PeJP	NA	NA
+PJ069411	STTTLWW 	C43H59N9O12	893.4283	NA	PeJP	NA	NA
+PJ069412	APTKEYW 	C43H59N9O12	893.4284	NA	PeJP	NA	NA
+PJ069413	PTKMMMR 	C36H67N11O9S3	893.4286	NA	PeJP	NA	NA
+PJ069414	GNNMFRR 	C36H59N15O10S	893.429	NA	PeJP	NA	NA
+PJ069415	GGGNMFRR 	C36H59N15O10S	893.4291	NA	PeJP	NA	NA
+PJ069416	LKMMWW 	C44H63N9O7S2	893.4292	NA	PeJP	NA	NA
+PJ069417	TKHHWW 	C44H55N13O8	893.4297	NA	PeJP	NA	NA
+PJ069418	SSSSSQRR 	C32H59N15O15	893.4315	NA	PeJP	NA	NA
+PJ069419	STLKEMW 	C40H63N9O12S	893.4317	NA	PeJP	NA	NA
+PJ069420	AALFFYY 	C48H59N7O10	893.4324	NA	PeJP	NA	NA
+PJ069421	APPMHRW 	C41H59N13O8S	893.4331	NA	PeJP	NA	NA
+PJ069422	SSTTLKEE 	C36H63N9O17	893.4342	NA	PeJP	NA	NA
+PJ069423	VKKEEMM 	C37H67N9O12S2	893.4351	NA	PeJP	NA	NA
+MJ097077	Cinodine I 	C37H59N13O13	893.435529	NA	MeJP	NA	NA
+PJ069424	GSSSSKRW 	C37H59N13O13	893.4356	NA	PeJP	NA	NA
+PJ069425	ACCKKRW 	C38H63N13O8S2	893.4364	NA	PeJP	NA	NA
+PJ069426	PPNHHHR 	C38H55N17O9	893.4369	NA	PeJP	NA	NA
+PJ069427	VLLEEEY 	C41H63N7O15	893.4383	NA	PeJP	NA	NA
+PJ069428	TTTEMRR 	C34H63N13O13S	893.4389	NA	PeJP	NA	NA
+PJ069429	LQERYW 	C42H59N11O11	893.4396	NA	PeJP	NA	NA
+PJ069430	GLMMMRR 	C35H67N13O8S3	893.4398	NA	PeJP	NA	NA
+PJ069431	GTMHHRR 	C35H59N17O9S	893.4403	NA	PeJP	NA	NA
+PJ069432	STTLMRW 	C39H63N11O11S	893.4429	NA	PeJP	NA	NA
+PJ069433	GGSTKKMW 	C39H63N11O11S	893.443	NA	PeJP	NA	NA
+PJ069434	VLQYWW 	C47H59N9O9	893.4436	NA	PeJP	NA	NA
+PJ069435	KMHHRW 	C40H59N15O7S	893.4443	NA	PeJP	NA	NA
+PJ069436	SSSSSSPKK 	C35H63N11O16	893.4454	NA	PeJP	NA	NA
+PJ069437	SSTTTLER 	C35H63N11O16	893.4455	NA	PeJP	NA	NA
+PJ069438	SLKEMMR 	C36H67N11O11S2	893.4463	NA	PeJP	NA	NA
+PJ069439	DERRRY 	C36H59N15O12	893.4468	NA	PeJP	NA	NA
+PJ069440	GPLKMYW 	C44H63N9O9S	893.447	NA	PeJP	NA	NA
+PJ069441	SSSTTLLW 	C40H63N9O14	893.4495	NA	PeJP	NA	NA
+PJ069442	GSSTCKRR 	C33H63N15O12S	893.4502	NA	PeJP	NA	NA
+PJ069443	SVLKMMW 	C41H67N9O9S2	893.4503	NA	PeJP	NA	NA
+PJ069444	TCLLKMW 	C41H67N9O9S2	893.4504	NA	PeJP	NA	NA
+PJ069445	VDRRYW 	C41H59N13O10	893.4508	NA	PeJP	NA	NA
+2816	PEP inhibitor	GVQVETISPGDGRTFPK	893.4514	MH2+	Inhouse_peptide	NA	peptide
+PJ069446	SSSLLKEM 	C37H67N9O14S	893.4528	NA	PeJP	NA	NA
+PJ069447	ATTTLKEM 	C37H67N9O14S	893.4529	NA	PeJP	NA	NA
+PJ069448	PPLLEYY 	C45H63N7O12	893.4535	NA	PeJP	NA	NA
+PJ069449	LLQKMMM 	C38H71N9O9S3	893.4537	NA	PeJP	NA	NA
+PJ069450	SSCKKRW 	C38H63N13O10S	893.4542	NA	PeJP	NA	NA
+PJ069451	ALRYWW 	C46H59N11O8	893.4548	NA	PeJP	NA	NA
+PJ069452	GPVLHWW 	C46H59N11O8	893.4549	NA	PeJP	NA	NA
+PJ069453	SSSSDKKR 	C34H63N13O15	893.4567	NA	PeJP	NA	NA
+PJ069454	LLLEEMF 	C42H67N7O12S	893.4569	NA	PeJP	NA	NA
+PJ069455	STLMMRR 	C35H67N13O10S2	893.4576	NA	PeJP	NA	NA
+PJ069456	STTHHRR 	C35H59N17O11	893.458	NA	PeJP	NA	NA
+PJ069457	GGGGPTHRR 	C35H59N17O11	893.4581	NA	PeJP	NA	NA
+PJ069458	AALMFRW 	C43H63N11O8S	893.4582	NA	PeJP	NA	NA
+PJ069459	GSSTTKKW 	C39H63N11O13	893.4607	NA	PeJP	NA	NA
+PJ069460	ACKKKMW 	C40H67N11O8S2	893.4616	NA	PeJP	NA	NA
+PJ069461	GPNKHRW 	C40H59N15O9	893.4621	NA	PeJP	NA	NA
+PJ069462	SSSTLLMR 	C36H67N11O13S	893.4641	NA	PeJP	NA	NA
+PJ069463	GVLKEYW 	C44H63N9O11	893.4647	NA	PeJP	NA	NA
+PJ069464	APPPVVEW 	C44H63N9O11	893.4648	NA	PeJP	NA	NA
+PJ069465	VVKMMMR 	C37H71N11O8S3	893.465	NA	PeJP	NA	NA
+PJ069466	EMFRRR 	C37H63N15O9S	893.4654	NA	PeJP	NA	NA
+PJ069467	PLHRWW 	C45H59N13O7	893.4661	NA	PeJP	NA	NA
+PJ069468	SSSSSKRR 	C33H63N15O14	893.4679	NA	PeJP	NA	NA
+PJ069469	PVKKEMY 	C41H67N9O11S	893.4681	NA	PeJP	NA	NA
+PJ069470	TCCKKRR 	C34H67N15O9S2	893.4688	NA	PeJP	NA	NA
+PJ069471	VMFRRW 	C42H63N13O7S	893.4695	NA	PeJP	NA	NA
+PJ069472	TTTTTLKE 	C37H67N9O16	893.4706	NA	PeJP	NA	NA
+PJ069473	GTTLLKMM 	C38H71N9O11S2	893.4715	NA	PeJP	NA	NA
+PJ069474	ASLERRY 	C38H63N13O12	893.4719	NA	PeJP	NA	NA
+PJ069475	GTLERRY 	C38H63N13O12	893.472	NA	PeJP	NA	NA
+PJ069476	AAHHFRR 	C39H59N17O8	893.4733	NA	PeJP	NA	NA
+PJ069477	GSSTKKMR 	C35H67N13O12S	893.4753	NA	PeJP	NA	NA
+PJ069478	LKERYW 	C43H63N11O10	893.476	NA	PeJP	NA	NA
+PJ069479	SSKKKMW 	C40H67N11O10S	893.4793	NA	PeJP	NA	NA
+PJ069480	GAALLMRY 	C40H67N11O10S	893.4794	NA	PeJP	NA	NA
+PJ069481	VLKYWW 	C48H63N9O8	893.48	NA	PeJP	NA	NA
+PJ069482	TTTTTTLR 	C36H67N11O15	893.4818	NA	PeJP	NA	NA
+PJ069483	TQKKKMM 	C37H71N11O10S2	893.4827	NA	PeJP	NA	NA
+PJ069484	GSQKRRY 	C37H63N15O11	893.4832	NA	PeJP	NA	NA
+PJ069485	GLLKMFW 	C45H67N9O8S	893.4834	NA	PeJP	NA	NA
+PJ069486	VVKKEEY 	C41H67N9O13	893.4859	NA	PeJP	NA	NA
+PJ069487	PLKKMMF 	C42H71N9O8S2	893.4867	NA	PeJP	NA	NA
+PJ069488	TLRRYW 	C42H63N13O9	893.4872	NA	PeJP	NA	NA
+PJ069489	STTTLLKM 	C38H71N9O13S	893.4892	NA	PeJP	NA	NA
+MJ097078	Kahalalide A 	C46H67N7O11	893.489856	NA	MeJP	NA	NA
+PJ069490	PLLLEFY 	C46H67N7O11	893.4899	NA	PeJP	NA	NA
+PJ069491	LLKKMMM 	C39H75N9O8S3	893.4901	NA	PeJP	NA	NA
+PJ069492	GVLMRRY 	C39H67N13O9S	893.4906	NA	PeJP	NA	NA
+PJ069493	SSSTTKKR 	C35H67N13O14	893.4931	NA	PeJP	NA	NA
+PJ069494	LLLLEMY 	C43H71N7O11S	893.4933	NA	PeJP	NA	NA
+PJ069495	TCKKKMR 	C36H71N13O9S2	893.494	NA	PeJP	NA	NA
+PJ069496	SPNKHRR 	C36H63N17O10	893.4944	NA	PeJP	NA	NA
+PJ069497	SVLKERY 	C40H67N11O12	893.4971	NA	PeJP	NA	NA
+PJ069498	PFRRRY 	C41H63N15O8	893.4984	NA	PeJP	NA	NA
+PJ069499	GLKHHFR 	C41H63N15O8	893.4985	NA	PeJP	NA	NA
+PJ069500	GTTTKKKM 	C37H71N11O12S	893.5005	NA	PeJP	NA	NA
+PJ069501	ATLLKYW 	C45H67N9O10	893.5011	NA	PeJP	NA	NA
+PJ069502	LMRRRY 	C38H67N15O8S	893.5018	NA	PeJP	NA	NA
+PJ069503	VLLQKMY 	C42H71N9O10S	893.5045	NA	PeJP	NA	NA
+PJ069504	AAQHRRR 	C35H63N19O9	893.5057	NA	PeJP	NA	NA
+PJ069505	SSLLRRY 	C39H67N13O11	893.5083	NA	PeJP	NA	NA
+PJ069506	GGLLLEHR 	C39H67N13O11	893.5084	NA	PeJP	NA	NA
+PJ069507	AAKKKYW 	C44H67N11O9	893.5124	NA	PeJP	NA	NA
+PJ069508	ALLKMRY 	C41H71N11O9S	893.5157	NA	PeJP	NA	NA
+PJ069509	NHRRRR 	C34H63N21O8	893.5169	NA	PeJP	NA	NA
+PJ069510	STTTTKKK 	C37H71N11O14	893.5182	NA	PeJP	NA	NA
+PJ069511	TKKKKMM 	C38H75N11O9S2	893.5191	NA	PeJP	NA	NA
+PJ069512	GSKKRRY 	C38H67N15O10	893.5196	NA	PeJP	NA	NA
+PJ069513	TLLKKEY 	C42H71N9O12	893.5222	NA	PeJP	NA	NA
+PJ069514	GSTLLLKY 	C42H71N9O12	893.5223	NA	PeJP	NA	NA
+PJ069515	GLLLHRW 	C43H67N13O8	893.5236	NA	PeJP	NA	NA
+PJ069516	PLLLLYY 	C47H71N7O10	893.5263	NA	PeJP	NA	NA
+PJ069517	GKKKMFR 	C40H71N13O8S	893.527	NA	PeJP	NA	NA
+PJ069518	PPVNRRR 	C37H67N17O9	893.5308	NA	PeJP	NA	NA
+PJ069519	TTLLKRY 	C41H71N11O11	893.5335	NA	PeJP	NA	NA
+PJ069520	LFFRRR 	C42H67N15O7	893.5348	NA	PeJP	NA	NA
+PJ069521	GPPVLLLW 	C46H71N9O9	893.5375	NA	PeJP	NA	NA
+PJ069522	VLLKKMY 	C43H75N9O9S	893.5409	NA	PeJP	NA	NA
+PJ069523	AAKHRRR 	C36H67N19O8	893.542	NA	PeJP	NA	NA
+PJ069524	GPPRRRR 	C36H67N19O8	893.5421	NA	PeJP	NA	NA
+3230	bombolitin V from venom of bumble bee (Megabombus	INVLGILGLLGKALSHLG	893.54395	MH2+	Inhouse_peptide	NA	peptide
+PJ069525	ATKKKRY 	C40H71N13O10	893.5447	NA	PeJP	NA	NA
+PJ069526	ALLKFFR 	C45H71N11O8	893.5487	NA	PeJP	NA	NA
+PJ069527	PPLLLRW 	C45H71N11O8	893.5488	NA	PeJP	NA	NA
+PJ069528	CLKKKKF 	C42H75N11O8S	893.5521	NA	PeJP	NA	NA
+PJ069529	SLLLHRR 	C39H71N15O9	893.556	NA	PeJP	NA	NA
+PJ069530	PPTLLLLQ 	C43H75N9O11	893.5586	NA	PeJP	NA	NA
+PJ069531	PPVVLLKE 	C43H75N9O11	893.5587	NA	PeJP	NA	NA
+PJ069532	LLLLLFY 	C48H75N7O9	893.5627	NA	PeJP	NA	NA
+PJ069533	GLKKHRR 	C38H71N17O8	893.5672	NA	PeJP	NA	NA
+PJ069534	SLKKKKY 	C42H75N11O10	893.5699	NA	PeJP	NA	NA
+PJ069535	VLLKKFF 	C47H75N9O8	893.5739	NA	PeJP	NA	NA
+PJ069536	GPPVLKKR 	C41H75N13O9	893.5811	NA	PeJP	NA	NA
+PJ069537	VVKKKHR 	C40H75N15O8	893.5923	NA	PeJP	NA	NA
+PJ069538	PPLKKRR 	C40H75N15O8	893.5924	NA	PeJP	NA	NA
+PJ069539	PPTLLLLK 	C44H79N9O10	893.595	NA	PeJP	NA	NA
+PJ069540	GPLLLLLR 	C43H79N11O9	893.6063	NA	PeJP	NA	NA
+EUR1018	PC 40:6 [M-H+acetate]-	C48H84NO8P	893.614557	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1018	PC 40:6 [M-H+acetate]-	C48H84NO8P	893.614557	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1018	PC 40:6 [M-H+acetate]-	C48H84NO8P	893.614557	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1018	PC 40:6 [M-H+acetate]-	C48H84NO8P	893.614557	masses lipides attendues	Inhousejuil11	NA	NA
+PJ069541	LLKKKKH 	C42H79N13O8	893.6175	NA	PeJP	NA	NA
+PJ069542	PVVLLLLK 	C45H83N9O9	893.6314	NA	PeJP	NA	NA
+EUR1143	SM(d18:1/26:5) [M-H+acetate]-	C49H90N2O6P	893.674751	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1143	SM(d18:1/26:5) [M-H+acetate]-	C49H90N2O6P	893.674751	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1143	SM(d18:1/26:5) [M-H+acetate]-	C49H90N2O6P	893.674751	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1143	SM(d18:1/26:5) [M-H+acetate]-	C49H90N2O6P	893.674751	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08389	PC(20:3(5Z,8Z,11Z)/24:1(15Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08421	PC(20:3(8Z,11Z,14Z)/24:1(15Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08453	PC(20:4(5Z,8Z,11Z,14Z)/24:0)	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08486	PC(20:4(8Z,11Z,14Z,17Z)/24:0)	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08548	PC(22:0/22:4(7Z,10Z,13Z,16Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08612	PC(22:2(13Z,16Z)/22:2(13Z,16Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08643	PC(22:4(7Z,10Z,13Z,16Z)/22:0)	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08772	PC(24:0/20:4(5Z,8Z,11Z,14Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08773	PC(24:0/20:4(8Z,11Z,14Z,17Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08803	PC(24:1(15Z)/20:3(5Z,8Z,11Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+HMDB08804	PC(24:1(15Z)/20:3(8Z,11Z,14Z))	C52H96NO8P	893.687378	NA	HMDB2010	NA	NA
+PJ069543	CCCCCDDM 	C28H46N8O13S6	894.1509	NA	PeJP	NA	NA
+PJ069544	GSCCCCCCN 	C27H46N10O12S6	894.1621	NA	PeJP	NA	NA
+C03357	4-Acetamidobutanoyl-CoA	C27H45N8O18P3S	894.1785	NA	KEGG	NA	NA
+MetaCyc04263	4-acetamidobutanoyl-coA []	C27H45N8O18P3S1	894.178537	NA	metacyc	NA	NA
+PJ069545	SCCCCDMM 	C29H50N8O12S6	894.1873	NA	PeJP	NA	NA
+PJ069546	GCCCCDEY 	C32H46N8O14S4	894.2017	NA	PeJP	NA	NA
+PJ069547	ACCCCMMM 	C30H54N8O9S7	894.2059	NA	PeJP	NA	NA
+PJ069548	SCCCCCHH 	C30H46N12O10S5	894.2064	NA	PeJP	NA	NA
+PJ069549	PCCCCDDH 	C31H46N10O13S4	894.2129	NA	PeJP	NA	NA
+PJ069550	CCCCDYW 	C36H46N8O11S4	894.2169	NA	PeJP	NA	NA
+PJ069551	SSCCCDDY 	C32H46N8O16S3	894.2194	NA	PeJP	NA	NA
+PJ069552	PTCCCCCY 	C33H50N8O11S5	894.2203	NA	PeJP	NA	NA
+PJ069553	SSCCCMMM 	C30H54N8O11S6	894.2237	NA	PeJP	NA	NA
+PJ069554	GCCDDDMH 	C31H46N10O15S3	894.2307	NA	PeJP	NA	NA
+PJ069555	CCCCMFW 	C37H50N8O8S5	894.2356	NA	PeJP	NA	NA
+PJ069556	GDDDDDDE 	C31H42N8O23	894.2363	NA	PeJP	NA	NA
+PJ069557	GSCCCEMY 	C33H50N8O13S4	894.2381	NA	PeJP	NA	NA
+PJ069558	SCCCNNDH 	C30H46N12O14S3	894.2419	NA	PeJP	NA	NA
+PJ069559	CCCDEHW 	C35H46N10O12S3	894.2459	NA	PeJP	NA	NA
+PJ069560	SSCCDDEH 	C31H46N10O17S2	894.2484	NA	PeJP	NA	NA
+PJ069561	SPCCCDMH 	C32H50N10O12S4	894.2493	NA	PeJP	NA	NA
+PJ069562	DDDDDDW 	C35H42N8O20	894.2516	NA	PeJP	NA	NA
+PJ069563	CCNDDYY 	C36H46N8O15S2	894.2524	NA	PeJP	NA	NA
+PJ069564	SCCCMYW 	C37H50N8O10S4	894.2533	NA	PeJP	NA	NA
+PJ069565	SPCDDDDE 	C32H46N8O20S	894.255	NA	PeJP	NA	NA
+PJ069566	SSSCCDMY 	C33H50N8O15S3	894.2558	NA	PeJP	NA	NA
+PJ069567	CCNMMMY 	C34H54N8O10S5	894.2567	NA	PeJP	NA	NA
+PJ069568	GCCCNQMH 	C31H50N12O11S4	894.2605	NA	PeJP	NA	NA
+PJ069569	GNNDDDDM 	C31H46N10O19S	894.2662	NA	PeJP	NA	NA
+PJ069570	GSCDDMMH 	C32H50N10O14S3	894.2671	NA	PeJP	NA	NA
+PJ069571	APCCCMMH 	C33H54N10O9S5	894.2679	NA	PeJP	NA	NA
+PJ069572	GSPCCCYY 	C37H50N8O12S3	894.2711	NA	PeJP	NA	NA
+PJ069573	GCCCCNHR 	C30H50N14O10S4	894.2718	NA	PeJP	NA	NA
+PJ069574	GSDDDEEE 	C32H46N8O22	894.2727	NA	PeJP	NA	NA
+PJ069575	GPDDDDMM 	C33H50N8O17S2	894.2736	NA	PeJP	NA	NA
+PJ069576	GSTCCMMY 	C34H54N8O12S4	894.2744	NA	PeJP	NA	NA
+PJ069577	SCNNNNDD 	C30H46N12O18S	894.2774	NA	PeJP	NA	NA
+PJ069578	SSCCNNMH 	C31H50N12O13S3	894.2783	NA	PeJP	NA	NA
+PJ069579	CNNDDEW 	C35H46N10O16S	894.2814	NA	PeJP	NA	NA
+PJ069580	GGGACDDDW 	C35H46N10O16S	894.2815	NA	PeJP	NA	NA
+PJ069581	SCCEMHW 	C36H50N10O11S3	894.2823	NA	PeJP	NA	NA
+PJ069582	SSNNDDDE 	C31H46N10O21	894.2839	NA	PeJP	NA	NA
+PJ069583	GGGGSSDDDE 	C31H46N10O21	894.284	NA	PeJP	NA	NA
+PJ069584	SSSCDEMH 	C32H50N10O16S2	894.2848	NA	PeJP	NA	NA
+PJ069585	CNEMMMH 	C33H54N10O11S4	894.2857	NA	PeJP	NA	NA
+PJ069586	GSCCDHHH 	C33H46N14O12S2	894.2862	NA	PeJP	NA	NA
+PJ069587	ACCCFYW 	C41H50N8O9S3	894.2863	NA	PeJP	NA	NA
+PJ069588	SDDDEEW 	C36H46N8O19	894.288	NA	PeJP	NA	NA
+PJ069589	PCDDEMW 	C37H50N8O14S2	894.2888	NA	PeJP	NA	NA
+PJ069590	CCNMMFF 	C38H54N8O9S4	894.2897	NA	PeJP	NA	NA
+PJ069591	NDEEEEM 	C33H50N8O19S	894.2913	NA	PeJP	NA	NA
+PJ069592	SSSSCMMY 	C34H54N8O14S3	894.2922	NA	PeJP	NA	NA
+PJ069593	GPCDDDHH 	C34H46N12O15S	894.2927	NA	PeJP	NA	NA
+MJ097079	Mangicrocin 	C45H50O19	894.294629	NA	MeJP	NA	NA
+PJ069594	GSSSSCCQH 	C31H50N12O15S2	894.296	NA	PeJP	NA	NA
+PJ069595	GGGGGCNNEM 	C31H50N12O15S2	894.2961	NA	PeJP	NA	NA
+PJ069596	GCNDDWW 	C39H46N10O13S	894.2967	NA	PeJP	NA	NA
+PJ069597	CCDMMHR 	C32H54N12O10S4	894.2969	NA	PeJP	NA	NA
+PJ069598	PCCCHFW 	C40H50N10O8S3	894.2976	NA	PeJP	NA	NA
+PJ069599	GSSNDDDW 	C35H46N10O18	894.2992	NA	PeJP	NA	NA
+PJ069600	GSPCCNEW 	C36H50N10O13S2	894.3001	NA	PeJP	NA	NA
+MJ097080	2-Acetyl-1,6,8-trihydroxy-3-methylnaphthalene; 6-Me ether, 8-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C38H54O24	894.300502	NA	MeJP	NA	NA
+PJ069601	GCMMMHW 	C37H54N10O8S4	894.3009	NA	PeJP	NA	NA
+PJ069602	DDDDEMR 	C32H50N10O18S	894.3026	NA	PeJP	NA	NA
+PJ069603	GSSDMMMH 	C33H54N10O13S3	894.3034	NA	PeJP	NA	NA
+PJ069604	GGGGGPCEMM 	C33H54N10O13S3	894.3035	NA	PeJP	NA	NA
+PJ069605	GTCCYYW 	C41H50N8O11S2	894.3041	NA	PeJP	NA	NA
+PJ069606	CCQMHHH 	C34H50N14O9S3	894.3048	NA	PeJP	NA	NA
+PJ069607	GDEEEMW 	C37H50N8O16S	894.3066	NA	PeJP	NA	NA
+PJ069608	GCCNNNDR 	C30H50N14O14S2	894.3073	NA	PeJP	NA	NA
+PJ069609	GCQMMYY 	C38H54N8O11S3	894.3074	NA	PeJP	NA	NA
+PJ069610	GGACMMYY 	C38H54N8O11S3	894.3075	NA	PeJP	NA	NA
+PJ069611	GSSEEEEE 	C33H50N8O21	894.3091	NA	PeJP	NA	NA
+PJ069612	GSPDEEMM 	C34H54N8O16S2	894.31	NA	PeJP	NA	NA
+PJ069613	NDDEEHH 	C34H46N12O17	894.3104	NA	PeJP	NA	NA
+PJ069614	GPPCEMMM 	C35H58N8O11S4	894.3108	NA	PeJP	NA	NA
+PJ069615	CNNNNMW 	C35H50N12O12S2	894.3113	NA	PeJP	NA	NA
+PJ069616	GSCNDDER 	C31H50N12O17S	894.3138	NA	PeJP	NA	NA
+MJ097081	Chlororaphin 	C52H38N12O4	894.313897	NA	MeJP	NA	NA
+PJ069617	GPCCNDMR 	C32H54N12O12S3	894.3147	NA	PeJP	NA	NA
+PJ069618	SPCCNWW 	C40H50N10O10S2	894.3153	NA	PeJP	NA	NA
+MJ097082	Trioxacarcin A; 14,17-Deepoxy, 14,17-dihydroxy 	C42H54O21	894.315758	NA	MeJP	NA	NA
+PJ069619	CCCHHHR 	C33H50N16O8S3	894.316	NA	PeJP	NA	NA
+MJ097083	Precorrin 3B 	C43H50N4O17	894.317096	NA	MeJP	NA	NA
+MetaCyc04264	precorrin-3B []	C43H50N4O17	894.317096	NA	metacyc	NA	NA
+C06406	Precorrin 3B	C43H50N4O17	894.3171	NA	KEGG	NA	NA
+PJ069620	SNNDEMW 	C36H50N10O15S	894.3178	NA	PeJP	NA	NA
+PJ069621	STCMMHW 	C37H54N10O10S3	894.3187	NA	PeJP	NA	NA
+PJ069622	SSSNNEEE 	C32H50N10O20	894.3203	NA	PeJP	NA	NA
+PJ069623	SSSSEMMH 	C33H54N10O15S2	894.3212	NA	PeJP	NA	NA
+PJ069624	GSNNDDHH 	C33H46N14O16	894.3217	NA	PeJP	NA	NA
+PJ069625	DEEMWW 	C41H50N8O13S	894.3218	NA	PeJP	NA	NA
+PJ069626	SQMMMMH 	C34H58N10O10S4	894.322	NA	PeJP	NA	NA
+PJ069627	TNMMMMH 	C34H58N10O10S4	894.3221	NA	PeJP	NA	NA
+PJ069628	GSSCMHHH 	C34H50N14O11S2	894.3225	NA	PeJP	NA	NA
+PJ069629	GGGGAPCCHH 	C34H50N14O11S2	894.3226	NA	PeJP	NA	NA
+PJ069630	SSEEEEW 	C37H50N8O18	894.3243	NA	PeJP	NA	NA
+PJ069631	GGPDEEEY 	C37H50N8O18	894.3244	NA	PeJP	NA	NA
+PJ069632	SPDEMMW 	C38H54N8O13S2	894.3252	NA	PeJP	NA	NA
+PJ069633	GDDEHHW 	C38H46N12O14	894.3257	NA	PeJP	NA	NA
+PJ069634	PPCMMMW 	C39H58N8O8S4	894.3261	NA	PeJP	NA	NA
+PJ069635	TQEEEEM 	C34H54N8O18S	894.3277	NA	PeJP	NA	NA
+PJ069636	EEEYYY 	C42H50N6O16	894.3284	NA	PeJP	NA	NA
+PJ069637	PQEEMMM 	C35H58N8O13S3	894.3286	NA	PeJP	NA	NA
+PJ069638	SCNDDRW 	C35H50N12O14S	894.329	NA	PeJP	NA	NA
+PJ069639	GGSCDDRW 	C35H50N12O14S	894.3291	NA	PeJP	NA	NA
+PJ069640	PCCCQRW 	C36H54N12O9S3	894.3299	NA	PeJP	NA	NA
+PJ069641	GSSSSNNNE 	C31H50N12O19	894.3315	NA	PeJP	NA	NA
+PJ069642	SSSNDDDR 	C31H50N12O19	894.3316	NA	PeJP	NA	NA
+PJ069643	NNDDMMR 	C32H54N12O14S2	894.3324	NA	PeJP	NA	NA
+PJ069644	GGGGGGGGGTMM 	C32H54N12O14S2	894.3325	NA	PeJP	NA	NA
+PJ069645	GSNDMWW 	C40H50N10O12S	894.3331	NA	PeJP	NA	NA
+PJ069646	SCMMMHR 	C33H58N12O9S4	894.3333	NA	PeJP	NA	NA
+PJ069647	GSSSNEEW 	C36H50N10O17	894.3356	NA	PeJP	NA	NA
+PJ069648	GNQEMMW 	C37H54N10O12S2	894.3364	NA	PeJP	NA	NA
+PJ069649	GGGQEMMW 	C37H54N10O12S2	894.3365	NA	PeJP	NA	NA
+PJ069650	CNFYYW 	C45H50N8O10S	894.3371	NA	PeJP	NA	NA
+PJ069651	SDEEEMR 	C33H54N10O17S	894.3389	NA	PeJP	NA	NA
+PJ069652	TDDEEMR 	C33H54N10O17S	894.339	NA	PeJP	NA	NA
+PJ069653	GPDEEYW 	C41H50N8O15	894.3396	NA	PeJP	NA	NA
+PJ069654	PDDMMMR 	C34H58N10O12S3	894.3398	NA	PeJP	NA	NA
+PJ069655	SSSTCHHH 	C34H50N14O13S	894.3403	NA	PeJP	NA	NA
+PJ069656	PPCDMFW 	C42H54N8O10S2	894.3405	NA	PeJP	NA	NA
+PJ069657	DDHHWW 	C42H46N12O11	894.3409	NA	PeJP	NA	NA
+PJ069658	CCKMHHH 	C35H54N14O8S3	894.3412	NA	PeJP	NA	NA
+PJ069659	ATEEEMW 	C38H54N8O15S	894.343	NA	PeJP	NA	NA
+PJ069660	CCNDERR 	C31H54N14O13S2	894.3437	NA	PeJP	NA	NA
+PJ069661	APEMMMW 	C39H58N8O10S3	894.3438	NA	PeJP	NA	NA
+PJ069662	SPCEHHW 	C39H50N12O11S	894.3443	NA	PeJP	NA	NA
+PJ069663	GTTTEEEE 	C34H54N8O20	894.3455	NA	PeJP	NA	NA
+MJ097084	Herpepentol 	C50H54O15	894.346271	NA	MeJP	NA	NA
+PJ069664	VQEEEMM 	C35H58N8O15S2	894.3463	NA	PeJP	NA	NA
+PJ069665	GGLEEEMM 	C35H58N8O15S2	894.3464	NA	PeJP	NA	NA
+PJ069666	SSSSNNNW 	C35H50N12O16	894.3468	NA	PeJP	NA	NA
+PJ069667	GPPTMMMM 	C36H62N8O10S4	894.3472	NA	PeJP	NA	NA
+PJ069668	GCNEMRW 	C36H54N12O11S2	894.3477	NA	PeJP	NA	NA
+PJ069669	SCQWWW 	C44H50N10O9S	894.3483	NA	PeJP	NA	NA
+PJ069670	GSSNDEMR 	C32H54N12O16S	894.3502	NA	PeJP	NA	NA
+PJ069671	SSSNEWW 	C40H50N10O14	894.3508	NA	PeJP	NA	NA
+PJ069672	GGGGGEEFW 	C40H50N10O14	894.3509	NA	PeJP	NA	NA
+PJ069673	GSPCNMMR 	C33H58N12O11S3	894.3511	NA	PeJP	NA	NA
+PJ069674	CNNDHHR 	C33H50N16O12S	894.3515	NA	PeJP	NA	NA
+PJ069675	NQMMWW 	C41H54N10O9S2	894.3517	NA	PeJP	NA	NA
+MJ097085	Precorrin 6X 	C44H54N4O16	894.353481	NA	MeJP	NA	NA
+MetaCyc04265	precorrin-6x [precorrin-6A;]	C44H54N4O16	894.353482	NA	metacyc	NA	NA
+C06320	Precorrin 6X	C44H54N4O16	894.3535	NA	KEGG	NA	NA
+PJ069676	SSQQEMW 	C37H54N10O14S	894.3542	NA	PeJP	NA	NA
+PJ069677	SNYYYW 	C45H50N8O12	894.3548	NA	PeJP	NA	NA
+PJ069678	PDEYWW 	C45H50N8O12	894.3549	NA	PeJP	NA	NA
+PJ069679	PCCQKMW 	C38H58N10O9S3	894.3551	NA	PeJP	NA	NA
+PJ069680	GNNMHHW 	C38H50N14O10S	894.3555	NA	PeJP	NA	NA
+PJ069681	GGGNMHHW 	C38H50N14O10S	894.3556	NA	PeJP	NA	NA
+PJ069682	SSSNDKEE 	C33H54N10O19	894.3567	NA	PeJP	NA	NA
+PJ069683	AEEEMMR 	C34H58N10O14S2	894.3576	NA	PeJP	NA	NA
+PJ069684	SDDEHHR 	C34H50N14O15	894.358	NA	PeJP	NA	NA
+PJ069685	TDDDHHR 	C34H50N14O15	894.3581	NA	PeJP	NA	NA
+PJ069686	SPPDMYW 	C42H54N8O12S	894.3582	NA	PeJP	NA	NA
+PJ069687	SKMMMMH 	C35H62N10O9S4	894.3584	NA	PeJP	NA	NA
+PJ069688	GCCDRRW 	C35H54N14O10S2	894.3589	NA	PeJP	NA	NA
+PJ069689	TTTEEEW 	C38H54N8O17	894.3607	NA	PeJP	NA	NA
+PJ069690	GSSCDDRR 	C31H54N14O15S	894.3614	NA	PeJP	NA	NA
+PJ069691	GLEEMMW 	C39H58N8O12S2	894.3616	NA	PeJP	NA	NA
+PJ069692	GNNNQYW 	C39H50N12O13	894.3621	NA	PeJP	NA	NA
+PJ069693	GPTCCCRR 	C32H58N14O10S3	894.3623	NA	PeJP	NA	NA
+PJ069694	CNMRWW 	C40H54N12O8S2	894.3629	NA	PeJP	NA	NA
+PJ069695	TKEEEEM 	C35H58N8O17S	894.3641	NA	PeJP	NA	NA
+PJ069696	PKEEMMM 	C36H62N8O12S3	894.365	NA	PeJP	NA	NA
+PJ069697	SSNDMRW 	C36H54N12O13S	894.3654	NA	PeJP	NA	NA
+PJ069698	GGGGGSSCKW 	C36H54N12O13S	894.3655	NA	PeJP	NA	NA
+PJ069699	GSSSWWW 	C44H50N10O11	894.3661	NA	PeJP	NA	NA
+PJ069700	PCCCKRW 	C37H58N12O8S3	894.3663	NA	PeJP	NA	NA
+PJ069701	PCQHHHH 	C37H50N16O9S	894.3668	NA	PeJP	NA	NA
+PJ069702	SSSSNEER 	C32H54N12O18	894.3679	NA	PeJP	NA	NA
+PJ069703	GGGGGSSSSDK 	C32H54N12O18	894.368	NA	PeJP	NA	NA
+PJ069704	SNQEMMR 	C33H58N12O13S2	894.3688	NA	PeJP	NA	NA
+PJ069705	CQRYYY 	C41H54N10O11S	894.3694	NA	PeJP	NA	NA
+PJ069706	GSTQMWW 	C41H54N10O11S	894.3695	NA	PeJP	NA	NA
+PJ069707	ASSSTQEW 	C37H54N10O16	894.3719	NA	PeJP	NA	NA
+PJ069708	GSSSDKEW 	C37H54N10O16	894.372	NA	PeJP	NA	NA
+PJ069709	GNKEMMW 	C38H58N10O11S2	894.3728	NA	PeJP	NA	NA
+PJ069710	GGGGAAPMMF 	C38H58N10O11S2	894.3729	NA	PeJP	NA	NA
+PJ069711	SSNQHHW 	C38H50N14O12	894.3733	NA	PeJP	NA	NA
+PJ069712	PEMFWW 	C46H54N8O9S	894.3735	NA	PeJP	NA	NA
+PJ069713	TTEEEMR 	C34H58N10O16S	894.3753	NA	PeJP	NA	NA
+PJ069714	APTEEYW 	C42H54N8O14	894.376	NA	PeJP	NA	NA
+PJ069715	PTEMMMR 	C35H62N10O11S3	894.3762	NA	PeJP	NA	NA
+PJ069716	CNNNQFR 	C35H54N14O12S	894.3767	NA	PeJP	NA	NA
+PJ069717	APPMMYW 	C43H58N8O9S2	894.3768	NA	PeJP	NA	NA
+PJ069718	LEMMWW 	C43H58N8O9S2	894.3769	NA	PeJP	NA	NA
+PJ069719	TEHHWW 	C43H50N12O10	894.3773	NA	PeJP	NA	NA
+PJ069720	GSSSSSNNR 	C31H54N14O17	894.3792	NA	PeJP	NA	NA
+PJ069721	SSPPCLEY 	C39H58N8O14S	894.3793	NA	PeJP	NA	NA
+PJ069722	STLEEMW 	C39H58N8O14S	894.3794	NA	PeJP	NA	NA
+PJ069723	SCNEMRR 	C32H58N14O12S2	894.38	NA	PeJP	NA	NA
+PJ069724	GGSCEMRR 	C32H58N14O12S2	894.3801	NA	PeJP	NA	NA
+PJ069725	SPLMMMW 	C40H62N8O9S3	894.3802	NA	PeJP	NA	NA
+PJ069726	GSTCRWW 	C40H54N12O10S	894.3807	NA	PeJP	NA	NA
+PJ069727	GNFWWW 	C48H50N10O8	894.3813	NA	PeJP	NA	NA
+PJ069728	GGGFWWW 	C48H50N10O8	894.3814	NA	PeJP	NA	NA
+PJ069729	STTTLDEE 	C35H58N8O19	894.3818	NA	PeJP	NA	NA
+PJ069730	SSTTLEEE 	C35H58N8O19	894.3819	NA	PeJP	NA	NA
+PJ069731	VKEEEMM 	C36H62N8O14S2	894.3827	NA	PeJP	NA	NA
+PJ069732	GSSSSERW 	C36H54N12O15	894.3832	NA	PeJP	NA	NA
+PJ069733	AAPLMMMM 	C37H66N8O9S4	894.3836	NA	PeJP	NA	NA
+PJ069734	GSQMMRW 	C37H58N12O10S2	894.3841	NA	PeJP	NA	NA
+PJ069735	AQEHHHH 	C37H50N16O11	894.3845	NA	PeJP	NA	NA
+PJ069736	GAAEHHHH 	C37H50N16O11	894.3846	NA	PeJP	NA	NA
+PJ069737	SCKWWW 	C45H54N10O8S	894.3847	NA	PeJP	NA	NA
+PJ069738	GSSTQEMR 	C33H58N12O15S	894.3866	NA	PeJP	NA	NA
+PJ069739	SSSDKWW 	C41H54N10O13	894.3872	NA	PeJP	NA	NA
+PJ069740	AQQMMMR 	C34H62N12O10S3	894.3874	NA	PeJP	NA	NA
+PJ069741	GGGGVMMMR 	C34H62N12O10S3	894.3875	NA	PeJP	NA	NA
+PJ069742	SNNMHHR 	C34H54N16O11S	894.3879	NA	PeJP	NA	NA
+PJ069743	NKMMWW 	C42H58N10O8S2	894.3881	NA	PeJP	NA	NA
+PJ069744	GNHHHFF 	C42H50N14O9	894.3886	NA	PeJP	NA	NA
+PJ069745	SSQKEMW 	C38H58N10O13S	894.3906	NA	PeJP	NA	NA
+PJ069746	VEEFWW 	C46H54N8O11	894.3912	NA	PeJP	NA	NA
+PJ069747	SCCDRRR 	C31H58N16O11S2	894.3913	NA	PeJP	NA	NA
+PJ069748	PCCKKMW 	C39H62N10O8S3	894.3915	NA	PeJP	NA	NA
+PJ069749	EMHHRW 	C39H54N14O9S	894.3919	NA	PeJP	NA	NA
+PJ069750	SSSTQKEE 	C34H58N10O18	894.3931	NA	PeJP	NA	NA
+PJ069751	TQQKEMM 	C35H62N10O13S2	894.3939	NA	PeJP	NA	NA
+PJ069752	SLEEMMR 	C35H62N10O13S2	894.394	NA	PeJP	NA	NA
+PJ069753	GNDDRRY 	C35H54N14O14	894.3944	NA	PeJP	NA	NA
+PJ069754	GGGGGGGGTRY 	C35H54N14O14	894.3945	NA	PeJP	NA	NA
+PJ069755	GPLEMYW 	C43H58N8O11S	894.3946	NA	PeJP	NA	NA
+PJ069756	PVMMMMR 	C36H66N10O8S4	894.3948	NA	PeJP	NA	NA
+PJ069757	GSCMRRW 	C36H58N14O9S2	894.3953	NA	PeJP	NA	NA
+PJ069758	GDHHHHR 	C36H50N18O10	894.3958	NA	PeJP	NA	NA
+PJ069759	VMHHWW 	C44H54N12O7S	894.396	NA	PeJP	NA	NA
+PJ069760	PTKEEEY 	C39H58N8O16	894.3971	NA	PeJP	NA	NA
+PJ069761	GSSSDMRR 	C32H58N14O14S	894.3978	NA	PeJP	NA	NA
+PJ069762	SVLEMMW 	C40H62N8O11S2	894.398	NA	PeJP	NA	NA
+PJ069763	SSSSRWW 	C40H54N12O12	894.3984	NA	PeJP	NA	NA
+PJ069764	GGQERYW 	C40H54N12O12	894.3985	NA	PeJP	NA	NA
+PJ069765	GNMMMRR 	C33H62N14O9S3	894.3987	NA	PeJP	NA	NA
+PJ069766	AAHHHHW 	C41H50N16O8	894.3998	NA	PeJP	NA	NA
+PJ069767	SSSLLEEM 	C36H62N8O16S	894.4005	NA	PeJP	NA	NA
+PJ069768	LLQEMMM 	C37H66N8O11S3	894.4013	NA	PeJP	NA	NA
+PJ069769	GALLEMMM 	C37H66N8O11S3	894.4014	NA	PeJP	NA	NA
+PJ069770	SSTQMRW 	C37H58N12O12S	894.4018	NA	PeJP	NA	NA
+PJ069771	GGGGGGGAKMF 	C37H58N12O12S	894.4019	NA	PeJP	NA	NA
+PJ069772	VNQYWW 	C45H54N10O10	894.4025	NA	PeJP	NA	NA
+PJ069773	PCKHHHH 	C38H54N16O8S	894.4032	NA	PeJP	NA	NA
+PJ069774	SSSSDKER 	C33H58N12O17	894.4043	NA	PeJP	NA	NA
+PJ069775	SNKEMMR 	C34H62N12O12S2	894.4052	NA	PeJP	NA	NA
+PJ069776	GSSSQHHR 	C34H54N16O13	894.4057	NA	PeJP	NA	NA
+PJ069777	GSTKMWW 	C42H58N10O10S	894.4058	NA	PeJP	NA	NA
+PJ069778	GGGPKMYW 	C42H58N10O10S	894.4059	NA	PeJP	NA	NA
+PJ069779	PPFYWW 	C50H54N8O8	894.4065	NA	PeJP	NA	NA
+PJ069780	GSSTTKEW 	C38H58N10O15	894.4083	NA	PeJP	NA	NA
+PJ069781	GLEEERY 	C38H58N10O15	894.4084	NA	PeJP	NA	NA
+PJ069782	GDKKMMW 	C39H62N10O10S2	894.4092	NA	PeJP	NA	NA
+PJ069783	GPNEHRW 	C39H54N14O11	894.4097	NA	PeJP	NA	NA
+PJ069784	PLMYWW 	C47H58N8O8S	894.4099	NA	PeJP	NA	NA
+PJ069785	GSSKKEEM 	C35H62N10O15S	894.4117	NA	PeJP	NA	NA
+PJ069786	GVLEEYW 	C43H58N8O13	894.4124	NA	PeJP	NA	NA
+PJ069787	VVEMMMR 	C36H66N10O10S3	894.4126	NA	PeJP	NA	NA
+PJ069788	SSTCRRW 	C36H58N14O11S	894.413	NA	PeJP	NA	NA
+PJ069789	SPCNRRY 	C36H58N14O11S	894.4131	NA	PeJP	NA	NA
+PJ069790	APLMMFW 	C44H62N8O8S2	894.4132	NA	PeJP	NA	NA
+PJ069791	GQRYWW 	C44H54N12O9	894.4137	NA	PeJP	NA	NA
+PJ069792	SSSSSERR 	C32H58N14O16	894.4156	NA	PeJP	NA	NA
+PJ069793	PVKEEMY 	C40H62N8O13S	894.4157	NA	PeJP	NA	NA
+PJ069794	GGLLEEMF 	C40H62N8O13S	894.4158	NA	PeJP	NA	NA
+PJ069795	SSQMMRR 	C33H62N14O11S2	894.4164	NA	PeJP	NA	NA
+PJ069796	ALLMMMW 	C41H66N8O8S3	894.4166	NA	PeJP	NA	NA
+PJ069797	QQMFRW 	C41H58N12O9S	894.4171	NA	PeJP	NA	NA
+PJ069798	TTTTTLEE 	C36H62N8O18	894.4182	NA	PeJP	NA	NA
+PJ069799	GTTLLEMM 	C37H66N8O13S2	894.4191	NA	PeJP	NA	NA
+PJ069800	GSSTTTRW 	C37H58N12O14	894.4196	NA	PeJP	NA	NA
+PJ069801	ATCKMRW 	C38H62N12O9S2	894.4204	NA	PeJP	NA	NA
+PJ069802	GSKMMRW 	C38H62N12O9S2	894.4205	NA	PeJP	NA	NA
+PJ069803	GNQHHFR 	C38H54N16O10	894.4209	NA	PeJP	NA	NA
+PJ069804	KMHFFW 	C46H58N10O7S	894.4211	NA	PeJP	NA	NA
+PJ069805	SSSSLQMR 	C34H62N12O14S	894.4229	NA	PeJP	NA	NA
+PJ069806	GSSTKEMR 	C34H62N12O14S	894.423	NA	PeJP	NA	NA
+PJ069807	SSTTKWW 	C42H58N10O12	894.4236	NA	PeJP	NA	NA
+PJ069808	AQKMMMR 	C35H66N12O9S3	894.4238	NA	PeJP	NA	NA
+PJ069809	SCQKHHR 	C35H58N16O10S	894.4243	NA	PeJP	NA	NA
+PJ069810	PNHRWW 	C43H54N14O8	894.4249	NA	PeJP	NA	NA
+PJ069811	GGPHRWW 	C43H54N14O8	894.425	NA	PeJP	NA	NA
+PJ069812	SSKKEMW 	C39H62N10O12S	894.427	NA	PeJP	NA	NA
+PJ069813	VLEYWW 	C47H58N8O10	894.4276	NA	PeJP	NA	NA
+PJ069814	SSCMRRR 	C32H62N16O10S2	894.4277	NA	PeJP	NA	NA
+PJ069815	CQFRRW 	C40H58N14O8S	894.4283	NA	PeJP	NA	NA
+PJ069816	SSSTKKEE 	C35H62N10O17	894.4295	NA	PeJP	NA	NA
+PJ069817	TQKKEMM 	C36H66N10O12S2	894.4303	NA	PeJP	NA	NA
+PJ069818	GATKKEMM 	C36H66N10O12S2	894.4304	NA	PeJP	NA	NA
+PJ069819	GSQERRY 	C36H58N14O13	894.4308	NA	PeJP	NA	NA
+PJ069820	GGGGGGGGGLLH 	C36H58N14O13	894.4309	NA	PeJP	NA	NA
+PJ069821	SPVLMYW 	C44H62N8O10S	894.431	NA	PeJP	NA	NA
+PJ069822	ALMMHHR 	C37H62N14O8S2	894.4317	NA	PeJP	NA	NA
+PJ069823	ATHHHHR 	C37H54N18O9	894.4322	NA	PeJP	NA	NA
+PJ069824	VVKEEEY 	C40H62N8O15	894.4335	NA	PeJP	NA	NA
+PJ069825	GSSTTMRR 	C33H62N14O13S	894.4342	NA	PeJP	NA	NA
+PJ069826	TTLLMMW 	C41H66N8O10S2	894.4344	NA	PeJP	NA	NA
+PJ069827	NKERYW 	C41H58N12O11	894.4348	NA	PeJP	NA	NA
+PJ069828	GGPPPERW 	C41H58N12O11	894.4349	NA	PeJP	NA	NA
+PJ069829	ACKMMRR 	C34H66N14O8S3	894.4351	NA	PeJP	NA	NA
+PJ069830	STTTLLEM 	C37H66N8O15S	894.4369	NA	PeJP	NA	NA
+PJ069831	LLKEMMM 	C38H70N8O10S3	894.4377	NA	PeJP	NA	NA
+PJ069832	SSTKMRW 	C38H62N12O11S	894.4382	NA	PeJP	NA	NA
+PJ069833	VNKYWW 	C46H58N10O9	894.4389	NA	PeJP	NA	NA
+PJ069834	SSSTTKER 	C34H62N12O16	894.4407	NA	PeJP	NA	NA
+PJ069835	SDKKMMR 	C35H66N12O11S2	894.4416	NA	PeJP	NA	NA
+PJ069836	SPNEHRR 	C35H58N16O12	894.442	NA	PeJP	NA	NA
+PJ069837	GGSPEHRR 	C35H58N16O12	894.4421	NA	PeJP	NA	NA
+PJ069838	APCKKYW 	C43H62N10O9S	894.4422	NA	PeJP	NA	NA
+PJ069839	PLFFWW 	C51H58N8O7	894.4429	NA	PeJP	NA	NA
+PJ069840	SSSSTLKW 	C39H62N10O14	894.4447	NA	PeJP	NA	NA
+PJ069841	GGAASPPPLE 	C39H62N10O14	894.4448	NA	PeJP	NA	NA
+PJ069842	ATKKMMW 	C40H66N10O9S2	894.4456	NA	PeJP	NA	NA
+PJ069843	SQRRYW 	C40H58N14O10	894.4461	NA	PeJP	NA	NA
+PJ069844	LLMFWW 	C48H62N8O7S	894.4463	NA	PeJP	NA	NA
+PJ069845	GTTTKKEM 	C36H66N10O14S	894.4481	NA	PeJP	NA	NA
+PJ069846	ATLLEYW 	C44H62N8O12	894.4487	NA	PeJP	NA	NA
+PJ069847	VVVTEYW 	C44H62N8O12	894.4488	NA	PeJP	NA	NA
+PJ069848	TLLMMMR 	C37H70N10O9S3	894.449	NA	PeJP	NA	NA
+PJ069849	AAQMRRY 	C37H62N14O10S	894.4494	NA	PeJP	NA	NA
+PJ069850	GGGVMRRY 	C37H62N14O10S	894.4495	NA	PeJP	NA	NA
+PJ069851	GKRYWW 	C45H58N12O8	894.4501	NA	PeJP	NA	NA
+PJ069852	SSSTTTRR 	C33H62N14O15	894.4519	NA	PeJP	NA	NA
+PJ069853	VLLQEMY 	C41H66N8O12S	894.4521	NA	PeJP	NA	NA
+PJ069854	SSKMMRR 	C34H66N14O10S2	894.4528	NA	PeJP	NA	NA
+PJ069855	GNQQHRR 	C34H58N18O11	894.4533	NA	PeJP	NA	NA
+PJ069856	QKMFRW 	C42H62N12O8S	894.4535	NA	PeJP	NA	NA
+PJ069857	SSTLLLMM 	C38H70N8O12S2	894.4555	NA	PeJP	NA	NA
+PJ069858	GDKKERY 	C38H62N12O13	894.456	NA	PeJP	NA	NA
+PJ069859	VLKMMHH 	C39H66N12O8S2	894.4568	NA	PeJP	NA	NA
+PJ069860	GSPHRRW 	C39H58N16O9	894.4573	NA	PeJP	NA	NA
+PJ069861	SSSSLKMR 	C35H66N12O13S	894.4593	NA	PeJP	NA	NA
+PJ069862	AAKKEYW 	C43H62N10O11	894.46	NA	PeJP	NA	NA
+PJ069863	AKKMMMR 	C36H70N12O8S3	894.4602	NA	PeJP	NA	NA
+PJ069864	NMRRRY 	C36H62N16O9S	894.4607	NA	PeJP	NA	NA
+MJ097086	Bryostatin 4 	C46H70O17	894.4613	NA	MeJP	NA	NA
+MJ097087	Eupteleogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-xylorpyranoside] 	C46H70O17	894.4613	NA	MeJP	NA	NA
+MJ097088	Eupteleogenin; Glycoside 	C46H70O17	894.4613	NA	MeJP	NA	NA
+PJ069865	LHHFRW 	C44H58N14O7	894.4613	NA	PeJP	NA	NA
+PJ069866	TTTKKMW 	C40H66N10O11S	894.4634	NA	PeJP	NA	NA
+PJ069867	GPLLFYW 	C48H62N8O9	894.464	NA	PeJP	NA	NA
+PJ069868	CKFRRW 	C41H62N14O7S	894.4647	NA	PeJP	NA	NA
+PJ069869	STTTTKKE 	C36H66N10O16	894.4658	NA	PeJP	NA	NA
+PJ069870	TTTTTDKK 	C36H66N10O16	894.4659	NA	PeJP	NA	NA
+PJ069871	TKKKEMM 	C37H70N10O11S2	894.4667	NA	PeJP	NA	NA
+PJ069872	GSKERRY 	C37H62N14O12	894.4672	NA	PeJP	NA	NA
+PJ069873	GLLLMYW 	C45H66N8O9S	894.4674	NA	PeJP	NA	NA
+PJ069874	TLLKEEY 	C41H66N8O14	894.4699	NA	PeJP	NA	NA
+PJ069875	PLLKMMY 	C42H70N8O9S2	894.4708	NA	PeJP	NA	NA
+PJ069876	DKKRYW 	C42H62N12O10	894.4712	NA	PeJP	NA	NA
+PJ069877	APCHRRR 	C35H62N18O8S	894.4719	NA	PeJP	NA	NA
+PJ069878	GLQKMRY 	C39H66N12O10S	894.4746	NA	PeJP	NA	NA
+PJ069879	TKKFWW 	C47H62N10O8	894.4752	NA	PeJP	NA	NA
+PJ069880	PPVLHFW 	C47H62N10O8	894.4753	NA	PeJP	NA	NA
+MJ097089	Brevetoxin B 	C50H70O14	894.476556	NA	MeJP	NA	NA
+C16857	Brevetoxin B	C50H70O14	894.4766	NA	KEGG	NA	NA
+PJ069881	STTTTTKR 	C35H66N12O15	894.4771	NA	PeJP	NA	NA
+PJ069882	TTKKMMR 	C36H70N12O10S2	894.478	NA	PeJP	NA	NA
+PJ069883	GSTRRRY 	C36H62N16O11	894.4784	NA	PeJP	NA	NA
+PJ069884	GGALEHRR 	C36H62N16O11	894.4785	NA	PeJP	NA	NA
+PJ069885	GVKKMFW 	C44H66N10O8S	894.4786	NA	PeJP	NA	NA
+PJ069886	TTLLERY 	C40H66N10O13	894.4811	NA	PeJP	NA	NA
+PJ069887	VVLMMFR 	C41H70N10O8S2	894.482	NA	PeJP	NA	NA
+PJ069888	SKRRYW 	C41H62N14O9	894.4825	NA	PeJP	NA	NA
+PJ069889	SSTTLKKM 	C37H70N10O13S	894.4845	NA	PeJP	NA	NA
+PJ069890	STLLLYW 	C45H66N8O11	894.4851	NA	PeJP	NA	NA
+PJ069891	GGLLLEFF 	C45H66N8O11	894.4852	NA	PeJP	NA	NA
+PJ069892	VKKKMMM 	C38H74N10O8S3	894.4854	NA	PeJP	NA	NA
+PJ069893	AAKMRRY 	C38H66N14O9S	894.4858	NA	PeJP	NA	NA
+PJ069894	VLLKEMY 	C42H70N8O11S	894.4885	NA	PeJP	NA	NA
+PJ069895	AAEHRRR 	C35H62N18O10	894.4897	NA	PeJP	NA	NA
+PJ069896	KKMFRW 	C43H66N12O7S	894.4899	NA	PeJP	NA	NA
+PJ069897	ATKKERY 	C39H66N12O12	894.4923	NA	PeJP	NA	NA
+PJ069898	GGTTLKRY 	C39H66N12O12	894.4924	NA	PeJP	NA	NA
+PJ069899	LQHRRW 	C40H62N16O8	894.4937	NA	PeJP	NA	NA
+PJ069900	SSSCKKKK 	C36H70N12O12S	894.4957	NA	PeJP	NA	NA
+PJ069901	GTLKKYW 	C44H66N10O10	894.4964	NA	PeJP	NA	NA
+PJ069902	APKMHRR 	C37H66N16O8S	894.4971	NA	PeJP	NA	NA
+MJ097090	12-Oleanene-3,16,22,28-tetrol, 16-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C47H74O16	894.497686	NA	MeJP	NA	NA
+MJ097091	12-Oleanene-3,16,22,28-tetrol, 22-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C47H74O16	894.497686	NA	MeJP	NA	NA
+MJ097092	12-Oleanene-3,16,22,28-tetrol, 28-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C47H74O16	894.497686	NA	MeJP	NA	NA
+PJ069903	SLLLMRY 	C41H70N10O10S	894.4997	NA	PeJP	NA	NA
+PJ069904	GGVLKKMY 	C41H70N10O10S	894.4998	NA	PeJP	NA	NA
+PJ069905	GLLLFFW 	C49H66N8O8	894.5004	NA	PeJP	NA	NA
+PJ069906	DHRRRR 	C34H62N20O9	894.5009	NA	PeJP	NA	NA
+MJ097093	Cephalostatin 6 	C53H70N2O10	894.503046	NA	MeJP	NA	NA
+PJ069907	ATTKRRY 	C38H66N14O11	894.5036	NA	PeJP	NA	NA
+PJ069908	PLLKMFF 	C46H70N8O8S	894.5038	NA	PeJP	NA	NA
+PJ069909	SSSLLLLY 	C42H70N8O13	894.5063	NA	PeJP	NA	NA
+PJ069910	LLLKMMF 	C43H74N8O8S2	894.5071	NA	PeJP	NA	NA
+PJ069911	PPVLQRW 	C43H66N12O9	894.5076	NA	PeJP	NA	NA
+PJ069912	GLKKMRY 	C40H70N12O9S	894.511	NA	PeJP	NA	NA
+PJ069913	PPVDRRR 	C37H66N16O10	894.5148	NA	PeJP	NA	NA
+PJ069914	SLKKKEY 	C41H70N10O12	894.5175	NA	PeJP	NA	NA
+PJ069915	APPLRRW 	C42H66N14O8	894.5188	NA	PeJP	NA	NA
+PJ069916	GVLKHRW 	C42H66N14O8	894.5189	NA	PeJP	NA	NA
+PJ069917	PVLLKYY 	C46H70N8O10	894.5215	NA	PeJP	NA	NA
+PJ069918	PVKKMHR 	C39H70N14O8S	894.5222	NA	PeJP	NA	NA
+PJ069919	GTLHRRR 	C36H66N18O9	894.5261	NA	PeJP	NA	NA
+PJ069920	STLKKRY 	C40H70N12O11	894.5287	NA	PeJP	NA	NA
+PJ069921	GPPVLKER 	C40H70N12O11	894.5288	NA	PeJP	NA	NA
+PJ069922	LKHRRW 	C41H66N16O7	894.5301	NA	PeJP	NA	NA
+PJ069923	TLLLLHW 	C45H70N10O9	894.5328	NA	PeJP	NA	NA
+PJ069924	VVKKKMY 	C42H74N10O9S	894.5361	NA	PeJP	NA	NA
+PJ069925	PPLKERR 	C39H70N14O10	894.54	NA	PeJP	NA	NA
+PJ069926	PPTLLLLE 	C43H74N8O12	894.5427	NA	PeJP	NA	NA
+PJ069927	PPVLKRW 	C44H70N12O8	894.544	NA	PeJP	NA	NA
+PJ069928	LLLLMHR 	C41H74N12O8S	894.5474	NA	PeJP	NA	NA
+PJ069929	PPTLRRR 	C38H70N16O9	894.5512	NA	PeJP	NA	NA
+PJ069930	SSLLLLLH 	C42H74N10O11	894.5539	NA	PeJP	NA	NA
+PJ069931	VLLLKFY 	C47H74N8O9	894.5579	NA	PeJP	NA	NA
+PJ069932	PPVLLLLM 	C44H78N8O9S	894.5613	NA	PeJP	NA	NA
+PJ069933	APPTLLKR 	C41H74N12O10	894.5651	NA	PeJP	NA	NA
+PJ069934	VVKKKFF 	C46H74N10O8	894.5691	NA	PeJP	NA	NA
+PJ069935	PLLLQRR 	C40H74N14O9	894.5764	NA	PeJP	NA	NA
+PJ069936	PVVLLLLE 	C44H78N8O11	894.5791	NA	PeJP	NA	NA
+MJ097094	Wikstrotoxin A; 12?-Acetoxy, 20-hexadecanoyl 	C53H82O11	894.585713	NA	MeJP	NA	NA
+PJ069937	PVVLRRR 	C39H74N16O8	894.5876	NA	PeJP	NA	NA
+PJ069938	SPPLLLKK 	C43H78N10O10	894.5903	NA	PeJP	NA	NA
+PJ069939	GPVLLLKR 	C42H78N12O9	894.6015	NA	PeJP	NA	NA
+PJ069940	PLLLKRR 	C41H78N14O8	894.6127	NA	PeJP	NA	NA
+PJ069941	VKKKKKH 	C41H78N14O8	894.6128	NA	PeJP	NA	NA
+PJ069942	PTLLLLLL 	C45H82N8O10	894.6154	NA	PeJP	NA	NA
+PJ069943	APLLLLKK 	C44H82N10O9	894.6267	NA	PeJP	NA	NA
+MJ097095	Chlorobactene; 1',2'-Dihydro, 1'-hydroxy, O-(6-dodecanoyl-?-D-glucopyranoside) 	C58H86O7	894.637355	NA	MeJP	NA	NA
+PJ069944	VVLLLLLL 	C46H86N8O9	894.6518	NA	PeJP	NA	NA
+MJ097096	1,2-Diphytanylglycerol 3-phosphoinositol; D-myo-inositol-form 	C49H99O11P	894.6925	NA	MeJP	NA	NA
+MJ097097	1,2-Diphytanylglycerol 3-phosphoinositol; L-myo-inositol-form 	C49H99O11P	894.6925	NA	MeJP	NA	NA
+MJ097098	Archaeol; 1-O-(3-O-Phospho-?-D-glucopyranoside) 	C49H99O11P	894.6925	NA	MeJP	NA	NA
+PJ069945	GSCCCCCCD 	C27H45N9O13S6	895.1462	NA	PeJP	NA	NA
+HMDB04047	Adipoyl-CoA	C27H44N7O19P3S	895.162537	NA	HMDB2010	NA	NA
+HMDB04047	Adipoyl-CoA	C27H44N7O19P3S	895.16254	http://www.hmdb.ca/metabolites/HMDB04047	HMDB	NA	NA
+HMDB04047	Adipoyl-CoA	C27H44N7O19P3S	895.16254	HMDB04047	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04266	3-hydroxy-5- oxohexanoyl-CoA []	C27H44N7O19P3S1	895.162552	NA	metacyc	NA	NA
+C14143	Adipyl-CoA	C27H44N7O19P3S	895.1626	NA	KEGG	NA	NA
+C16273	3-Hydroxy-5-oxohexanoyl-CoA	C27H44N7O19P3S	895.1626	NA	KEGG	NA	NA
+PJ069946	CCCCCCQM 	C28H49N9O10S7	895.1648	NA	PeJP	NA	NA
+PJ069947	CCCCCCCR 	C27H49N11O9S7	895.176	NA	PeJP	NA	NA
+PJ069948	GSSCCCCCM 	C28H49N9O12S6	895.1825	NA	PeJP	NA	NA
+PJ069949	SSSTCCCCC 	C28H49N9O14S5	895.2003	NA	PeJP	NA	NA
+PJ069950	CCCCCCKM 	C29H53N9O9S7	895.2012	NA	PeJP	NA	NA
+PJ069951	GCCCCNMY 	C32H49N9O11S5	895.2155	NA	PeJP	NA	NA
+PJ069952	GGGCCCCMY 	C32H49N9O11S5	895.2156	NA	PeJP	NA	NA
+MetaCyc04267	&gamma;-butyrobetainyl-CoA [&gamma;-butyrobetaine-CoA;]	C28H50N8O17P3S1	895.222747	NA	metacyc	NA	NA
+PJ069953	SCCCNDDH 	C30H45N11O15S3	895.2259	NA	PeJP	NA	NA
+PJ069954	PCCCCCQH 	C31H49N11O10S5	895.2268	NA	PeJP	NA	NA
+PJ069955	PCCNDDDD 	C31H45N9O18S2	895.2324	NA	PeJP	NA	NA
+PJ069956	GGPCCDDDD 	C31H45N9O18S2	895.2325	NA	PeJP	NA	NA
+PJ069957	SSCCCCQY 	C32H49N9O13S4	895.2333	NA	PeJP	NA	NA
+PJ069958	CCDDDYY 	C36H45N7O16S2	895.2365	NA	PeJP	NA	NA
+PJ069959	CCDMMMY 	C34H53N7O11S5	895.2407	NA	PeJP	NA	NA
+PJ069960	GCCCNEMH 	C31H49N11O12S4	895.2445	NA	PeJP	NA	NA
+PJ069961	GGGCCCEMH 	C31H49N11O12S4	895.2446	NA	PeJP	NA	NA
+PJ069962	GCCCCNFF 	C36H49N9O10S4	895.2486	NA	PeJP	NA	NA
+PJ069963	GNDDDDDM 	C31H45N9O20S	895.2502	NA	PeJP	NA	NA
+PJ069964	GSSSSCCCY 	C32H49N9O15S3	895.2511	NA	PeJP	NA	NA
+PJ069965	ACCCCCKY 	C33H53N9O10S5	895.2519	NA	PeJP	NA	NA
+PJ069966	CCDDMFY 	C37H49N7O13S3	895.2551	NA	PeJP	NA	NA
+PJ069967	GCCCCDHR 	C30H49N13O11S4	895.2558	NA	PeJP	NA	NA
+PJ069968	CCMMMMF 	C35H57N7O8S6	895.2593	NA	PeJP	NA	NA
+PJ069969	CCCNMHW 	C35H49N11O9S4	895.2598	NA	PeJP	NA	NA
+PJ069970	SCNNNDDD 	C30H45N11O19S	895.2614	NA	PeJP	NA	NA
+PJ069971	GGGGGGSCDDD 	C30H45N11O19S	895.2615	NA	PeJP	NA	NA
+PJ069972	SSCCNDMH 	C31H49N11O14S3	895.2623	NA	PeJP	NA	NA
+PJ069973	PCCCCCKH 	C32H53N11O9S5	895.2632	NA	PeJP	NA	NA
+PJ069974	CNDDDEW 	C35H45N9O17S	895.2655	NA	PeJP	NA	NA
+PJ069975	CCCNQYY 	C36H49N9O12S3	895.2663	NA	PeJP	NA	NA
+PJ069976	SSNDDDDE 	C31H45N9O22	895.268	NA	PeJP	NA	NA
+PJ069977	SPCNDDDM 	C32H49N9O17S2	895.2688	NA	PeJP	NA	NA
+PJ069978	SSCCCCKY 	C33H53N9O12S4	895.2697	NA	PeJP	NA	NA
+PJ069979	SCDDMYY 	C37H49N7O15S2	895.2728	NA	PeJP	NA	NA
+PJ069980	CCDMMFF 	C38H53N7O10S4	895.2737	NA	PeJP	NA	NA
+PJ069981	DDEEEEM 	C33H49N7O20S	895.2753	NA	PeJP	NA	NA
+PJ069982	SCMMMMY 	C35H57N7O10S5	895.2771	NA	PeJP	NA	NA
+PJ069983	GSTCCCHW 	C35H49N11O11S3	895.2776	NA	PeJP	NA	NA
+PJ069984	GSSSSCCEH 	C31H49N11O16S2	895.2801	NA	PeJP	NA	NA
+PJ069985	GCDDDWW 	C39H45N9O14S	895.2807	NA	PeJP	NA	NA
+PJ069986	PPCCCCDR 	C32H53N11O11S4	895.2809	NA	PeJP	NA	NA
+PJ069987	GSSDDDDW 	C35H45N9O19	895.2832	NA	PeJP	NA	NA
+PJ069988	GSPCCDEW 	C36H49N9O14S2	895.2841	NA	PeJP	NA	NA
+PJ069989	GPPCCCMW 	C37H53N9O9S4	895.285	NA	PeJP	NA	NA
+PJ069990	GSNDDEEM 	C32H49N9O19S	895.2866	NA	PeJP	NA	NA
+PJ069991	ASSPPCCCE 	C33H53N9O14S3	895.2874	NA	PeJP	NA	NA
+PJ069992	GPCNDEMM 	C33H53N9O14S3	895.2875	NA	PeJP	NA	NA
+PJ069993	CCDDFFF 	C41H49N7O12S2	895.2881	NA	PeJP	NA	NA
+PJ069994	CCEMHHH 	C34H49N13O10S3	895.2888	NA	PeJP	NA	NA
+PJ069995	GCCNNDDR 	C30H49N13O15S2	895.2913	NA	PeJP	NA	NA
+PJ069996	GCEMMYY 	C38H53N7O12S3	895.2915	NA	PeJP	NA	NA
+PJ069997	GSCCCMHR 	C31H53N13O10S4	895.2922	NA	PeJP	NA	NA
+PJ069998	CCCHHFF 	C39H49N11O8S3	895.2928	NA	PeJP	NA	NA
+PJ069999	DDDEEHH 	C34H45N11O18	895.2944	NA	PeJP	NA	NA
+PJ070000	SSSSCCHW 	C35H49N11O13S2	895.2953	NA	PeJP	NA	NA
+PJ070001	GSCDDDER 	C31H49N11O18S	895.2978	NA	PeJP	NA	NA
+PJ070002	GPCCDDMR 	C32H53N11O13S3	895.2987	NA	PeJP	NA	NA
+PJ070003	SPCCDWW 	C40H49N9O11S2	895.2993	NA	PeJP	NA	NA
+C12480	Coumermycin D	C43H49N3O18	895.3011	NA	KEGG	NA	NA
+PJ070004	SNDDEMW 	C36H49N9O16S	895.3018	NA	PeJP	NA	NA
+PJ070005	GGGPCDDEF 	C36H49N9O16S	895.3019	NA	PeJP	NA	NA
+PJ070006	PCNDMMW 	C37H53N9O11S3	895.3027	NA	PeJP	NA	NA
+PJ070007	SSSNDEEE 	C32H49N9O21	895.3043	NA	PeJP	NA	NA
+PJ070008	NNEEEMM 	C33H53N9O16S2	895.3052	NA	PeJP	NA	NA
+PJ070009	GSNDDDHH 	C33H45N13O17	895.3057	NA	PeJP	NA	NA
+PJ070010	ACDDFYY 	C41H49N7O14S	895.3058	NA	PeJP	NA	NA
+PJ070011	GCDEFYY 	C41H49N7O14S	895.3059	NA	PeJP	NA	NA
+PJ070012	SEMMMMH 	C34H57N9O11S4	895.3061	NA	PeJP	NA	NA
+PJ070013	APCCNDHH 	C34H49N13O12S2	895.3065	NA	PeJP	NA	NA
+PJ070014	GPCCNEHH 	C34H49N13O12S2	895.3066	NA	PeJP	NA	NA
+PJ070015	CMMYYW 	C42H53N7O9S3	895.3067	NA	PeJP	NA	NA
+PJ070016	PDDEEEY 	C37H49N7O19	895.3084	NA	PeJP	NA	NA
+PJ070017	GSSSCNNNN 	C30H49N13O17S	895.309	NA	PeJP	NA	NA
+PJ070018	GGGGGSSSCNN 	C30H49N13O17S	895.3091	NA	PeJP	NA	NA
+PJ070019	SSDMMYY 	C38H53N7O14S2	895.3092	NA	PeJP	NA	NA
+PJ070020	SSTCCCHR 	C31H53N13O12S3	895.3099	NA	PeJP	NA	NA
+PJ070021	ACMMMFY 	C39H57N7O9S4	895.3101	NA	PeJP	NA	NA
+PJ070022	GCCNQWW 	C39H49N11O10S2	895.3106	NA	PeJP	NA	NA
+PJ070023	TEEEEEM 	C34H53N7O19S	895.3117	NA	PeJP	NA	NA
+PJ070024	PEEEMMM 	C35H57N7O14S3	895.3126	NA	PeJP	NA	NA
+PJ070025	SCDDDRW 	C35H49N11O15S	895.3131	NA	PeJP	NA	NA
+PJ070026	PCCCERW 	C36H53N11O10S3	895.3139	NA	PeJP	NA	NA
+PJ070027	GGGGCMMHF 	C36H53N11O10S3	895.314	NA	PeJP	NA	NA
+PJ070028	SSSDDDDR 	C31H49N11O20	895.3156	NA	PeJP	NA	NA
+PJ070029	NDDDMMR 	C32H53N11O15S2	895.3164	NA	PeJP	NA	NA
+PJ070030	GGDDDMMR 	C32H53N11O15S2	895.3165	NA	PeJP	NA	NA
+PJ070031	GSDDMWW 	C40H49N9O13S	895.3171	NA	PeJP	NA	NA
+PJ070032	SPPCCCMR 	C33H57N11O10S4	895.3173	NA	PeJP	NA	NA
+PJ070033	APCCMWW 	C41H53N9O8S3	895.318	NA	PeJP	NA	NA
+PJ070034	GSSSDEEW 	C36H49N9O18	895.3196	NA	PeJP	NA	NA
+PJ070035	GNEEMMW 	C37H53N9O13S2	895.3205	NA	PeJP	NA	NA
+PJ070036	CDFYYW 	C45H49N7O11S	895.3211	NA	PeJP	NA	NA
+PJ070037	PCMMMHF 	C38H57N9O8S4	895.3213	NA	PeJP	NA	NA
+PJ070038	PCCNHHW 	C38H49N13O9S2	895.3218	NA	PeJP	NA	NA
+PJ070039	GSSQEEEM 	C33H53N9O18S	895.323	NA	PeJP	NA	NA
+PJ070040	GSDEYYY 	C41H49N7O16	895.3236	NA	PeJP	NA	NA
+PJ070041	GSPNEMMM 	C34H57N9O13S3	895.3238	NA	PeJP	NA	NA
+PJ070042	GCNNNNNF 	C34H49N13O14S	895.3243	NA	PeJP	NA	NA
+PJ070043	GPCMYYY 	C42H53N7O11S2	895.3245	NA	PeJP	NA	NA
+PJ070044	CLMMMMH 	C35H61N9O8S5	895.3247	NA	PeJP	NA	NA
+PJ070045	CCCQHFR 	C35H53N13O9S3	895.3252	NA	PeJP	NA	NA
+PJ070046	PDEEEMF 	C38H53N7O16S	895.327	NA	PeJP	NA	NA
+PJ070047	CCDDERR 	C31H53N13O14S2	895.3277	NA	PeJP	NA	NA
+PJ070048	GTMMMYY 	C39H57N7O11S3	895.3278	NA	PeJP	NA	NA
+PJ070049	SSCNNWW 	C39H49N11O12S	895.3283	NA	PeJP	NA	NA
+PJ070050	VEEEEMM 	C35H57N7O16S2	895.3304	NA	PeJP	NA	NA
+PJ070051	SSSSNNDW 	C35H49N11O17	895.3308	NA	PeJP	NA	NA
+PJ070052	GGGGGGGGEEY 	C35H49N11O17	895.3309	NA	PeJP	NA	NA
+PJ070053	GCDEMRW 	C36H53N11O12S2	895.3317	NA	PeJP	NA	NA
+PJ070054	SCEWWW 	C44H49N9O10S	895.3323	NA	PeJP	NA	NA
+PJ070055	GSSDDEMR 	C32H53N11O17S	895.3342	NA	PeJP	NA	NA
+PJ070056	SSSDEWW 	C40H49N9O15	895.3348	NA	PeJP	NA	NA
+PJ070057	GGSPDDYW 	C40H49N9O15	895.3349	NA	PeJP	NA	NA
+PJ070058	GSPCDMMR 	C33H57N11O12S3	895.3351	NA	PeJP	NA	NA
+PJ070059	CNDDHHR 	C33H49N15O13S	895.3355	NA	PeJP	NA	NA
+PJ070060	GGCDDHHR 	C33H49N15O13S	895.3356	NA	PeJP	NA	NA
+PJ070061	NEMMWW 	C41H53N9O10S2	895.3357	NA	PeJP	NA	NA
+PJ070062	SSQEEMW 	C37H53N9O15S	895.3382	NA	PeJP	NA	NA
+PJ070063	SDYYYW 	C45H49N7O13	895.3389	NA	PeJP	NA	NA
+PJ070064	SPNMMMW 	C38H57N9O10S3	895.3391	NA	PeJP	NA	NA
+PJ070065	GNDMHHW 	C38H49N13O11S	895.3396	NA	PeJP	NA	NA
+PJ070066	CMFFYW 	C46H53N7O8S2	895.3397	NA	PeJP	NA	NA
+PJ070067	SSSTQEEE 	C33H53N9O20	895.3407	NA	PeJP	NA	NA
+MJ097099	Taxol?; 7-Epimer, 2'-Ac 	C49H53NO15	895.34152	NA	MeJP	NA	NA
+PJ070068	NDKEEMM 	C34H57N9O15S2	895.3416	NA	PeJP	NA	NA
+PJ070069	GSNNNNNY 	C34H49N13O16	895.342	NA	PeJP	NA	NA
+PJ070070	GGGSNNNNY 	C34H49N13O16	895.3421	NA	PeJP	NA	NA
+PJ070071	QEMYYY 	C42H53N7O13S	895.3422	NA	PeJP	NA	NA
+PJ070072	PQQMMMM 	C35H61N9O10S4	895.3425	NA	PeJP	NA	NA
+PJ070073	SCCNQRW 	C35H53N13O11S2	895.3429	NA	PeJP	NA	NA
+PJ070074	ACMMFFF 	C43H57N7O8S3	895.3431	NA	PeJP	NA	NA
+PJ070075	PTEEEEY 	C38H53N7O18	895.3447	NA	PeJP	NA	NA
+PJ070076	VDEEEEF 	C38H53N7O18	895.3448	NA	PeJP	NA	NA
+PJ070077	SSSCNNER 	C31H53N13O16S	895.3454	NA	PeJP	NA	NA
+PJ070078	STTMMYY 	C39H57N7O13S2	895.3456	NA	PeJP	NA	NA
+PJ070079	GNNNEYW 	C39H49N11O14	895.3461	NA	PeJP	NA	NA
+PJ070080	CNNQMMR 	C32H57N13O11S3	895.3463	NA	PeJP	NA	NA
+PJ070081	GCCNKWW 	C40H53N11O9S2	895.3469	NA	PeJP	NA	NA
+PJ070082	CDMRWW 	C40H53N11O9S2	895.347	NA	PeJP	NA	NA
+PJ070083	GSSSNQMW 	C36H53N11O14S	895.3494	NA	PeJP	NA	NA
+PJ070084	SSDDMRW 	C36H53N11O14S	895.3495	NA	PeJP	NA	NA
+PJ070085	NDEFWW 	C44H49N9O12	895.3501	NA	PeJP	NA	NA
+PJ070086	PTCCMRW 	C37H57N11O9S3	895.3503	NA	PeJP	NA	NA
+PJ070087	PCEHHHH 	C37H49N15O10S	895.3508	NA	PeJP	NA	NA
+PJ070088	GMMWWW 	C45H53N9O7S2	895.351	NA	PeJP	NA	NA
+PJ070089	GSSSSSQQE 	C32H53N11O19	895.3519	NA	PeJP	NA	NA
+PJ070090	SSSSDEER 	C32H53N11O19	895.352	NA	PeJP	NA	NA
+PJ070091	SNEEMMR 	C33H57N11O14S2	895.3528	NA	PeJP	NA	NA
+PJ070092	SSSNNNHH 	C33H49N15O15	895.3533	NA	PeJP	NA	NA
+PJ070093	GSTEMWW 	C41H53N9O12S	895.3535	NA	PeJP	NA	NA
+PJ070094	PCQMMMR 	C34H61N11O9S4	895.3537	NA	PeJP	NA	NA
+PJ070095	GSPCCHHR 	C34H53N15O10S2	895.3542	NA	PeJP	NA	NA
+PJ070096	CQHHWW 	C42H49N13O8S	895.3548	NA	PeJP	NA	NA
+PJ070097	GSSTTEEW 	C37H53N9O17	895.356	NA	PeJP	NA	NA
+PJ070098	GDKEMMW 	C38H57N9O12S2	895.3568	NA	PeJP	NA	NA
+PJ070099	GAATEMMW 	C38H57N9O12S2	895.3569	NA	PeJP	NA	NA
+PJ070100	SSNEHHW 	C38H49N13O13	895.3573	NA	PeJP	NA	NA
+PJ070101	AMYYYW 	C46H53N7O10S	895.3575	NA	PeJP	NA	NA
+PJ070102	GGGGCCMRR 	C31H57N15O10S3	895.3576	NA	PeJP	NA	NA
+PJ070103	GMMHHHF 	C39H53N13O8S2	895.3582	NA	PeJP	NA	NA
+PJ070104	GTTTQEEM 	C34H57N9O17S	895.3593	NA	PeJP	NA	NA
+PJ070105	GSSKEEEM 	C34H57N9O17S	895.3594	NA	PeJP	NA	NA
+PJ070106	GTTEYYY 	C42H53N7O15	895.36	NA	PeJP	NA	NA
+PJ070107	VQQEMMM 	C35H61N9O12S3	895.3602	NA	PeJP	NA	NA
+PJ070108	GSSSCNRW 	C35H53N13O13S	895.3607	NA	PeJP	NA	NA
+PJ070109	AAMMFYY 	C43H57N7O10S2	895.3609	NA	PeJP	NA	NA
+PJ070110	NNNYWW 	C43H49N11O11	895.3613	NA	PeJP	NA	NA
+PJ070111	GGGGGGYWW 	C43H49N11O11	895.3614	NA	PeJP	NA	NA
+PJ070112	CCCKHFR 	C36H57N13O8S3	895.3616	NA	PeJP	NA	NA
+MJ097100	Altromycin A; 13-Deoxy 	C46H57NO17	895.362649	NA	MeJP	NA	NA
+MJ097101	Altromycin A; 2'''-Deoxy 	C46H57NO17	895.362649	NA	MeJP	NA	NA
+PJ070113	GSSSSSNDR 	C31H53N13O18	895.3632	NA	PeJP	NA	NA
+PJ070114	PVEEEMY 	C39H57N7O15S	895.3634	NA	PeJP	NA	NA
+PJ070115	SSVCCNQR 	C32H57N13O13S2	895.364	NA	PeJP	NA	NA
+PJ070116	SCDEMRR 	C32H57N13O13S2	895.3641	NA	PeJP	NA	NA
+PJ070117	GPCDRYW 	C40H53N11O11S	895.3647	NA	PeJP	NA	NA
+PJ070118	PCCMMRR 	C33H61N13O8S4	895.3649	NA	PeJP	NA	NA
+PJ070119	GDFWWW 	C48H49N9O9	895.3654	NA	PeJP	NA	NA
+PJ070120	SSSSSQQW 	C36H53N11O16	895.3672	NA	PeJP	NA	NA
+PJ070121	GSEMMRW 	C37H57N11O11S2	895.3681	NA	PeJP	NA	NA
+PJ070122	NNNNHHF 	C37H49N15O12	895.3685	NA	PeJP	NA	NA
+PJ070123	GGNNNHHF 	C37H49N15O12	895.3686	NA	PeJP	NA	NA
+PJ070124	STMWWW 	C45H53N9O9S	895.3687	NA	PeJP	NA	NA
+PJ070125	GSSTEEMR 	C33H57N11O16S	895.3706	NA	PeJP	NA	NA
+PJ070126	SSTTEWW 	C41H53N9O14	895.3712	NA	PeJP	NA	NA
+PJ070127	GGGGPEEFF 	C41H53N9O14	895.3713	NA	PeJP	NA	NA
+PJ070128	AQEMMMR 	C34H61N11O11S3	895.3714	NA	PeJP	NA	NA
+PJ070129	GAAEMMMR 	C34H61N11O11S3	895.3715	NA	PeJP	NA	NA
+PJ070130	SNDMHHR 	C34H53N15O12S	895.3719	NA	PeJP	NA	NA
+PJ070131	DKMMWW 	C42H57N9O9S2	895.3721	NA	PeJP	NA	NA
+PJ070132	GSSHHWW 	C42H49N13O10	895.3726	NA	PeJP	NA	NA
+PJ070133	CFFFFW 	C50H53N7O7S	895.3728	NA	PeJP	NA	NA
+PJ070134	SSKEEMW 	C38H57N9O14S	895.3746	NA	PeJP	NA	NA
+PJ070135	TTYYYW 	C46H53N7O12	895.3752	NA	PeJP	NA	NA
+PJ070136	GAEFFYY 	C46H53N7O12	895.3753	NA	PeJP	NA	NA
+PJ070137	GLQMMMW 	C39H61N9O9S3	895.3755	NA	PeJP	NA	NA
+PJ070138	GCNNFRW 	C39H53N13O10S	895.3759	NA	PeJP	NA	NA
+PJ070139	GGGCNFRW 	C39H53N13O10S	895.376	NA	PeJP	NA	NA
+PJ070140	SSSTKEEE 	C34H57N9O19	895.3771	NA	PeJP	NA	NA
+PJ070141	TQKEEMM 	C35H61N9O14S2	895.378	NA	PeJP	NA	NA
+PJ070142	SNNNERY 	C35H53N13O15	895.3784	NA	PeJP	NA	NA
+PJ070143	GDDDRRY 	C35H53N13O15	895.3785	NA	PeJP	NA	NA
+PJ070144	KEMYYY 	C43H57N7O12S	895.3786	NA	PeJP	NA	NA
+PJ070145	PQKMMMM 	C36H65N9O9S4	895.3788	NA	PeJP	NA	NA
+PJ070146	GAPKMMMM 	C36H65N9O9S4	895.3789	NA	PeJP	NA	NA
+PJ070147	SCCNKRW 	C36H57N13O10S2	895.3793	NA	PeJP	NA	NA
+PJ070148	SNQHHHH 	C36H49N17O11	895.3798	NA	PeJP	NA	NA
+PJ070149	APPCHWW 	C44H53N11O8S	895.38	NA	PeJP	NA	NA
+PJ070150	VVEEEEY 	C39H57N7O17	895.3811	NA	PeJP	NA	NA
+PJ070151	SSSSNQMR 	C32H57N13O15S	895.3818	NA	PeJP	NA	NA
+PJ070152	PLEEMMF 	C40H61N7O12S2	895.382	NA	PeJP	NA	NA
+PJ070153	NEERYW 	C40H53N11O13	895.3825	NA	PeJP	NA	NA
+PJ070154	GDMMMRR 	C33H61N13O10S3	895.3827	NA	PeJP	NA	NA
+PJ070155	SMMRWW 	C41H57N11O8S2	895.3833	NA	PeJP	NA	NA
+PJ070156	LLEEMMM 	C37H65N7O12S3	895.3854	NA	PeJP	NA	NA
+PJ070157	SSTEMRW 	C37H57N11O13S	895.3858	NA	PeJP	NA	NA
+PJ070158	GGGGGGLQMY 	C37H57N11O13S	895.3859	NA	PeJP	NA	NA
+PJ070159	VNEYWW 	C45H53N9O11	895.3865	NA	PeJP	NA	NA
+PJ070160	AAMMMRW 	C38H61N11O8S3	895.3867	NA	PeJP	NA	NA
+PJ070161	GTCHHRW 	C38H53N15O9S	895.3872	NA	PeJP	NA	NA
+PJ070162	SSSTTEER 	C33H57N11O18	895.3883	NA	PeJP	NA	NA
+PJ070163	SDKEMMR 	C34H61N11O13S2	895.3892	NA	PeJP	NA	NA
+PJ070164	GSSSEHHR 	C34H53N15O14	895.3897	NA	PeJP	NA	NA
+PJ070165	VTTTCWW 	C42H57N9O11S	895.3898	NA	PeJP	NA	NA
+PJ070166	SSSLMWW 	C42H57N9O11S	895.3899	NA	PeJP	NA	NA
+PJ070167	PCKMMMR 	C35H65N11O8S4	895.3901	NA	PeJP	NA	NA
+PJ070168	AFFYYW 	C50H53N7O9	895.3905	NA	PeJP	NA	NA
+PJ070169	GQMMHHR 	C35H57N15O9S2	895.3906	NA	PeJP	NA	NA
+PJ070170	CKHHWW 	C43H53N13O7S	895.3912	NA	PeJP	NA	NA
+PJ070171	SSSSTLEW 	C38H57N9O16	895.3923	NA	PeJP	NA	NA
+PJ070172	GTTTTTEW 	C38H57N9O16	895.3924	NA	PeJP	NA	NA
+PJ070173	SSSSCNRR 	C31H57N15O14S	895.393	NA	PeJP	NA	NA
+PJ070174	GGSSSSCRR 	C31H57N15O14S	895.3931	NA	PeJP	NA	NA
+PJ070175	ATKEMMW 	C39H61N9O11S2	895.3932	NA	PeJP	NA	NA
+PJ070176	GSNNRYW 	C39H53N13O12	895.3937	NA	PeJP	NA	NA
+PJ070177	AAMFFFY 	C47H57N7O9S	895.3939	NA	PeJP	NA	NA
+PJ070178	GTTTKEEM 	C35H61N9O16S	895.3957	NA	PeJP	NA	NA
+PJ070179	SSTLYYY 	C43H57N7O14	895.3964	NA	PeJP	NA	NA
+PJ070180	VQKEMMM 	C36H65N9O11S3	895.3966	NA	PeJP	NA	NA
+PJ070181	SPCDRRY 	C36H57N13O12S	895.3971	NA	PeJP	NA	NA
+PJ070182	GERYWW 	C44H53N11O10	895.3977	NA	PeJP	NA	NA
+PJ070183	GSSSSSTQR 	C32H57N13O17	895.3996	NA	PeJP	NA	NA
+PJ070184	VLEEEMF 	C40H61N7O14S	895.3998	NA	PeJP	NA	NA
+PJ070185	SSEMMRR 	C33H61N13O12S2	895.4004	NA	PeJP	NA	NA
+PJ070186	GGGSTCKMR 	C33H61N13O12S2	895.4005	NA	PeJP	NA	NA
+PJ070187	NNNNQHR 	C33H53N17O13	895.4009	NA	PeJP	NA	NA
+PJ070188	GGGGGGGGGAHR 	C33H53N17O13	895.401	NA	PeJP	NA	NA
+PJ070189	GSPMRYW 	C41H57N11O10S	895.4011	NA	PeJP	NA	NA
+PJ070190	GVYWWW 	C49H53N9O8	895.4017	NA	PeJP	NA	NA
+PJ070191	GGPFFWW 	C49H53N9O8	895.4018	NA	PeJP	NA	NA
+PJ070192	SSSSSQKW 	C37H57N11O15	895.4036	NA	PeJP	NA	NA
+PJ070193	ATTMMRW 	C38H61N11O10S2	895.4045	NA	PeJP	NA	NA
+PJ070194	SSSHHRW 	C38H53N15O11	895.4049	NA	PeJP	NA	NA
+PJ070195	GGGEHHFR 	C38H53N15O11	895.405	NA	PeJP	NA	NA
+PJ070196	VQMFWW 	C46H57N9O8S	895.4051	NA	PeJP	NA	NA
+PJ070197	SSSSLEMR 	C34H61N11O15S	895.407	NA	PeJP	NA	NA
+PJ070198	TTTTTWW 	C42H57N9O13	895.4076	NA	PeJP	NA	NA
+PJ070199	AKEMMMR 	C35H65N11O10S3	895.4078	NA	PeJP	NA	NA
+PJ070200	GGGGKKMMM 	C35H65N11O10S3	895.4079	NA	PeJP	NA	NA
+PJ070201	GCNQRRY 	C35H57N15O11S	895.4083	NA	PeJP	NA	NA
+PJ070202	GPKMMFW 	C43H61N9O8S2	895.4085	NA	PeJP	NA	NA
+PJ070203	PDHRWW 	C43H53N13O9	895.409	NA	PeJP	NA	NA
+PJ070204	TTTKEMW 	C39H61N9O13S	895.411	NA	PeJP	NA	NA
+PJ070205	PKYYYY 	C47H57N7O11	895.4116	NA	PeJP	NA	NA
+MJ097102	Enopeptin A 	C47H57N7O11	895.411605	NA	MeJP	NA	NA
+PJ070206	GSSCCKRR 	C32H61N15O11S2	895.4117	NA	PeJP	NA	NA
+PJ070207	GLKMMMW 	C40H65N9O8S3	895.4119	NA	PeJP	NA	NA
+PJ070208	CEFRRW 	C40H57N13O9S	895.4123	NA	PeJP	NA	NA
+PJ070209	RYWWW 	C48H53N11O7	895.413	NA	PeJP	NA	NA
+PJ070210	STTTTKEE 	C35H61N9O18	895.4135	NA	PeJP	NA	NA
+PJ070211	ATTTLQMM 	C36H65N9O13S2	895.4143	NA	PeJP	NA	NA
+PJ070212	TKKEEMM 	C36H65N9O13S2	895.4144	NA	PeJP	NA	NA
+PJ070213	GSEERRY 	C36H57N13O14	895.4148	NA	PeJP	NA	NA
+PJ070214	GGGGSPPPDR 	C36H57N13O14	895.4149	NA	PeJP	NA	NA
+PJ070215	PPLEMFY 	C44H61N7O11S	895.415	NA	PeJP	NA	NA
+PJ070216	PKKMMMM 	C37H69N9O8S4	895.4152	NA	PeJP	NA	NA
+PJ070217	APCMRRY 	C37H61N13O9S2	895.4157	NA	PeJP	NA	NA
+PJ070218	SNKHHHH 	C37H53N17O10	895.4162	NA	PeJP	NA	NA
+PJ070219	AMFRWW 	C45H57N11O7S	895.4164	NA	PeJP	NA	NA
+PJ070220	TLLEEEY 	C40H61N7O16	895.4175	NA	PeJP	NA	NA
+PJ070221	SSSSNKMR 	C33H61N13O14S	895.4182	NA	PeJP	NA	NA
+PJ070222	PLLEMMY 	C41H65N7O11S2	895.4184	NA	PeJP	NA	NA
+PJ070223	AATERYW 	C41H57N11O12	895.4188	NA	PeJP	NA	NA
+PJ070224	DKERYW 	C41H57N11O12	895.4189	NA	PeJP	NA	NA
+PJ070225	ATMMMRR 	C34H65N13O9S3	895.4191	NA	PeJP	NA	NA
+PJ070226	STCHHRR 	C34H57N17O10S	895.4195	NA	PeJP	NA	NA
+PJ070227	GGPCNHRR 	C34H57N17O10S	895.4196	NA	PeJP	NA	NA
+PJ070228	NHHFRW 	C42H53N15O8	895.4202	NA	PeJP	NA	NA
+PJ070229	TTTTMRW 	C38H61N11O12S	895.4222	NA	PeJP	NA	NA
+PJ070230	GGGGGGPPPLM 	C38H61N11O12S	895.4223	NA	PeJP	NA	NA
+PJ070231	VDKYWW 	C46H57N9O10	895.4229	NA	PeJP	NA	NA
+PJ070232	VVMHHHH 	C39H57N15O8S	895.4236	NA	PeJP	NA	NA
+PJ070233	STTTTTER 	C34H61N11O17	895.4247	NA	PeJP	NA	NA
+PJ070234	TTKEMMR 	C35H65N11O12S2	895.4256	NA	PeJP	NA	NA
+PJ070235	SSNNRRY 	C35H57N15O13	895.4261	NA	PeJP	NA	NA
+PJ070236	APTKMYW 	C43H61N9O10S	895.4262	NA	PeJP	NA	NA
+PJ070237	GGGLLMYW 	C43H61N9O10S	895.4263	NA	PeJP	NA	NA
+PJ070238	PPCMHRR 	C36H61N15O8S2	895.4269	NA	PeJP	NA	NA
+PJ070239	SSTTTTLW 	C39H61N9O15	895.4287	NA	PeJP	NA	NA
+PJ070240	GGTLKEEY 	C39H61N9O15	895.4288	NA	PeJP	NA	NA
+PJ070241	STLKMMW 	C40H65N9O10S2	895.4296	NA	PeJP	NA	NA
+PJ070242	SERRYW 	C40H57N13O11	895.4301	NA	PeJP	NA	NA
+PJ070243	CCCKKRR 	C33H65N15O8S3	895.4303	NA	PeJP	NA	NA
+PJ070244	SSTTLKEM 	C36H65N9O15S	895.4321	NA	PeJP	NA	NA
+MJ097103	Xanthostatin 	C44H61N7O13	895.432735	NA	MeJP	NA	NA
+PJ070245	PVLEEFY 	C44H61N7O13	895.4328	NA	PeJP	NA	NA
+PJ070246	VKKEMMM 	C37H69N9O10S3	895.433	NA	PeJP	NA	NA
+PJ070247	SSPMRRY 	C37H61N13O11S	895.4334	NA	PeJP	NA	NA
+PJ070248	AAEMRRY 	C37H61N13O11S	895.4335	NA	PeJP	NA	NA
+PJ070249	SVRYWW 	C45H57N11O9	895.4341	NA	PeJP	NA	NA
+PJ070250	ASSSSSSKR 	C33H61N13O16	895.4359	NA	PeJP	NA	NA
+PJ070251	GSSSSSTKR 	C33H61N13O16	895.436	NA	PeJP	NA	NA
+PJ070252	VLLEEMY 	C41H65N7O13S	895.4361	NA	PeJP	NA	NA
+PJ070253	TTTMMRR 	C34H65N13O11S2	895.4368	NA	PeJP	NA	NA
+PJ070254	GNQEHRR 	C34H57N17O12	895.4373	NA	PeJP	NA	NA
+PJ070255	LQMRYW 	C42H61N11O9S	895.4375	NA	PeJP	NA	NA
+PJ070256	LHFFFW 	C50H57N9O7	895.4381	NA	PeJP	NA	NA
+PJ070257	SSSSSKKW 	C38H61N11O14	895.44	NA	PeJP	NA	NA
+PJ070258	ALQMMFR 	C39H65N11O9S2	895.4408	NA	PeJP	NA	NA
+PJ070259	TCCKKKW 	C39H65N11O9S2	895.4409	NA	PeJP	NA	NA
+PJ070260	AAQQHRW 	C39H57N15O10	895.4413	NA	PeJP	NA	NA
+PJ070261	VKMFWW 	C47H61N9O7S	895.4415	NA	PeJP	NA	NA
+PJ070262	SSTTTLMR 	C35H65N11O14S	895.4433	NA	PeJP	NA	NA
+PJ070263	GGSSTTKKM 	C35H65N11O14S	895.4434	NA	PeJP	NA	NA
+PJ070264	GTLKEYW 	C43H61N9O12	895.444	NA	PeJP	NA	NA
+PJ070265	SLKMMMR 	C36H69N11O9S3	895.4442	NA	PeJP	NA	NA
+PJ070266	DMRRRY 	C36H61N15O10S	895.4447	NA	PeJP	NA	NA
+PJ070267	AAKHHFW 	C44H57N13O8	895.4453	NA	PeJP	NA	NA
+PJ070268	GPPHFRW 	C44H57N13O8	895.4454	NA	PeJP	NA	NA
+PJ070269	PTKKEMY 	C40H65N9O12S	895.4474	NA	PeJP	NA	NA
+PJ070270	LKFYYY 	C48H61N7O10	895.448	NA	PeJP	NA	NA
+PJ070271	CLRRYW 	C41H61N13O8S	895.4487	NA	PeJP	NA	NA
+MJ097104	N-[4-[(Aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]cyclopentaneacetamide 	C49H57N11O6	895.449328	NA	MeJP	NA	NA
+PJ070272	SSSSTTTLL 	C36H65N9O17	895.4499	NA	PeJP	NA	NA
+PJ070273	SSSLLKMM 	C37H69N9O12S2	895.4507	NA	PeJP	NA	NA
+PJ070274	ATTERRY 	C37H61N13O13	895.4512	NA	PeJP	NA	NA
+PJ070275	GGGGGGGGPPVK 	C37H61N13O13	895.4513	NA	PeJP	NA	NA
+PJ070276	PPLLMYY 	C45H65N7O10S	895.4514	NA	PeJP	NA	NA
+PJ070277	GVMMFRR 	C38H65N13O8S2	895.4521	NA	PeJP	NA	NA
+PJ070278	NQHRRW 	C38H57N17O9	895.4526	NA	PeJP	NA	NA
+PJ070279	SSSTCKKR 	C34H65N13O13S	895.4546	NA	PeJP	NA	NA
+PJ070280	LLLEMMF 	C42H69N7O10S2	895.4548	NA	PeJP	NA	NA
+PJ070281	GTTLRYW 	C42H61N11O11	895.4552	NA	PeJP	NA	NA
+PJ070282	GAALLEHW 	C42H61N11O11	895.4553	NA	PeJP	NA	NA
+PJ070283	CCKKKMR 	C35H69N13O8S3	895.4555	NA	PeJP	NA	NA
+PJ070284	GLKEMRY 	C39H65N11O11S	895.4586	NA	PeJP	NA	NA
+PJ070285	TLKYWW 	C47H61N9O9	895.4593	NA	PeJP	NA	NA
+PJ070286	GSSSTTTKK 	C35H65N11O16	895.4611	NA	PeJP	NA	NA
+PJ070287	GSSKKKMM 	C36H69N11O11S2	895.462	NA	PeJP	NA	NA
+PJ070288	PTTEHRR 	C36H61N15O12	895.4624	NA	PeJP	NA	NA
+PJ070289	GLEEHRR 	C36H61N15O12	895.4625	NA	PeJP	NA	NA
+PJ070290	GVLKMYW 	C44H65N9O9S	895.4626	NA	PeJP	NA	NA
+PJ070291	MMFRRR 	C37H65N15O7S2	895.4633	NA	PeJP	NA	NA
+PJ070292	GPHHHRR 	C37H57N19O8	895.4638	NA	PeJP	NA	NA
+PJ070293	SLKKEEY 	C40H65N9O14	895.4651	NA	PeJP	NA	NA
+PJ070294	GAAPPLLEE 	C40H65N9O14	895.4652	NA	PeJP	NA	NA
+PJ070295	PVKKMMY 	C41H69N9O9S2	895.466	NA	PeJP	NA	NA
+MJ097105	Callatostatin 3 	C41H61N13O10	895.466435	NA	MeJP	NA	NA
+PJ070296	GVLEHRW 	C41H61N13O10	895.4665	NA	PeJP	NA	NA
+PJ070297	TTTTTLKM 	C37H69N9O14S	895.4685	NA	PeJP	NA	NA
+PJ070298	PVLLEYY 	C45H65N7O12	895.4692	NA	PeJP	NA	NA
+PJ070299	GTLMRRY 	C38H65N13O10S	895.4698	NA	PeJP	NA	NA
+PJ070300	GGGKKMRY 	C38H65N13O10S	895.4699	NA	PeJP	NA	NA
+PJ070301	AALLHWW 	C46H61N11O8	895.4705	NA	PeJP	NA	NA
+PJ070302	GNKEHRR 	C35H61N17O11	895.4737	NA	PeJP	NA	NA
+PJ070303	LKMRYW 	C43H65N11O8S	895.4739	NA	PeJP	NA	NA
+PJ070304	STLKERY 	C39H65N11O13	895.4764	NA	PeJP	NA	NA
+PJ070305	ALKMMFR 	C40H69N11O8S2	895.4772	NA	PeJP	NA	NA
+PJ070306	LEHRRW 	C40H61N15O9	895.4777	NA	PeJP	NA	NA
+PJ070307	SSSTKKKM 	C36H69N11O13S	895.4797	NA	PeJP	NA	NA
+PJ070308	SSLLKYW 	C44H65N9O11	895.4804	NA	PeJP	NA	NA
+PJ070309	CKKKKMM 	C37H73N11O8S3	895.4806	NA	PeJP	NA	NA
+PJ070310	SPLMHRR 	C37H65N15O9S	895.4811	NA	PeJP	NA	NA
+PJ070311	VLHRWW 	C45H61N13O7	895.4817	NA	PeJP	NA	NA
+PJ070312	VVKKEMY 	C41H69N9O11S	895.4838	NA	PeJP	NA	NA
+PJ070313	PPLLFFY 	C49H65N7O9	895.4844	NA	PeJP	NA	NA
+PJ070314	GSQHRRR 	C34H61N19O10	895.4849	NA	PeJP	NA	NA
+PJ070315	STTLRRY 	C38H65N13O12	895.4876	NA	PeJP	NA	NA
+PJ070316	PLLLMFY 	C46H69N7O9S	895.4878	NA	PeJP	NA	NA
+PJ070317	NKHRRW 	C39H61N17O8	895.4889	NA	PeJP	NA	NA
+PJ070318	GGKHRRW 	C39H61N17O8	895.489	NA	PeJP	NA	NA
+PJ070319	LLLLMMY 	C43H73N7O9S2	895.4912	NA	PeJP	NA	NA
+PJ070320	GSKKKYW 	C43H65N11O10	895.4916	NA	PeJP	NA	NA
+PJ070321	SVLKMRY 	C40H69N11O10S	895.495	NA	PeJP	NA	NA
+PJ070322	PPVVLWW 	C48H65N9O8	895.4957	NA	PeJP	NA	NA
+PJ070323	SVLEHRR 	C37H65N15O11	895.4988	NA	PeJP	NA	NA
+PJ070324	GGPPKERR 	C37H65N15O11	895.4989	NA	PeJP	NA	NA
+PJ070325	PVKKMFF 	C45H69N9O8S	895.499	NA	PeJP	NA	NA
+PJ070326	GTTTLLKY 	C41H69N9O13	895.5015	NA	PeJP	NA	NA
+PJ070327	VLKKMMF 	C42H73N9O8S2	895.5024	NA	PeJP	NA	NA
+PJ070328	ATLLHRW 	C42H65N13O9	895.5029	NA	PeJP	NA	NA
+PJ070329	VLLLEFY 	C46H69N7O11	895.5055	NA	PeJP	NA	NA
+PJ070330	ACKKKRY 	C39H69N13O9S	895.5062	NA	PeJP	NA	NA
+PJ070331	LKFFRW 	C47H65N11O7	895.5069	NA	PeJP	NA	NA
+MJ097106	Vinleucinol 	C51H69N5O9	895.509528	NA	MeJP	NA	NA
+PJ070332	SPPQRRR 	C36H65N17O10	895.5101	NA	PeJP	NA	NA
+PJ070333	SDKKKKY 	C40H69N11O12	895.5127	NA	PeJP	NA	NA
+PJ070334	GATTKKKY 	C40H69N11O12	895.5128	NA	PeJP	NA	NA
+PJ070335	GPPKRRW 	C41H65N15O8	895.5141	NA	PeJP	NA	NA
+PJ070336	GPPTLLLW 	C45H69N9O10	895.5168	NA	PeJP	NA	NA
+PJ070337	ALLMHRR 	C38H69N15O8S	895.5175	NA	PeJP	NA	NA
+PJ070338	TLLKKMY 	C42H73N9O10S	895.5201	NA	PeJP	NA	NA
+PJ070339	PPPTLLKM 	C42H73N9O10S	895.5202	NA	PeJP	NA	NA
+PJ070340	PLLLFFF 	C50H69N7O8	895.5208	NA	PeJP	NA	NA
+PJ070341	GSKHRRR 	C35H65N19O9	895.5213	NA	PeJP	NA	NA
+PJ070342	SSKKKRY 	C39H69N13O11	895.524	NA	PeJP	NA	NA
+PJ070343	LLLLMFF 	C47H73N7O8S	895.5242	NA	PeJP	NA	NA
+MJ097107	Verrucopeptin 	C43H73N7O13	895.526635	NA	MeJP	NA	NA
+PJ070344	SLLLKHW 	C44H69N11O9	895.528	NA	PeJP	NA	NA
+PJ070345	AKKKKMY 	C41H73N11O9S	895.5314	NA	PeJP	NA	NA
+PJ070346	TTLLHRR 	C38H69N15O10	895.5352	NA	PeJP	NA	NA
+PJ070347	SPPLLLKE 	C42H73N9O12	895.5379	NA	PeJP	NA	NA
+PJ070348	AVKKKHW 	C43H69N13O8	895.5392	NA	PeJP	NA	NA
+PJ070349	GLKKKHW 	C43H69N13O8	895.5393	NA	PeJP	NA	NA
+PJ070350	VLLLLYY 	C47H73N7O10	895.5419	NA	PeJP	NA	NA
+PJ070351	VLLKMHR 	C40H73N13O8S	895.5426	NA	PeJP	NA	NA
+PJ070352	SPPKRRR 	C37H69N17O9	895.5465	NA	PeJP	NA	NA
+PJ070353	TTKKKKY 	C41H73N11O11	895.5491	NA	PeJP	NA	NA
+PJ070354	GPVLLLER 	C41H73N11O11	895.5492	NA	PeJP	NA	NA
+PJ070355	AAPLLLLW 	C46H73N9O9	895.5532	NA	PeJP	NA	NA
+PJ070356	PPVVLLKM 	C43H77N9O9S	895.5565	NA	PeJP	NA	NA
+PJ070357	GPVRRRR 	C36H69N19O8	895.5577	NA	PeJP	NA	NA
+PJ070358	PLLLERR 	C40H73N13O10	895.5604	NA	PeJP	NA	NA
+PJ070359	PVLLLRW 	C45H73N11O8	895.5644	NA	PeJP	NA	NA
+PJ070360	PRRRRR 	C35H69N21O7	895.5689	NA	PeJP	NA	NA
+PJ070361	PVLQKRR 	C39H73N15O9	895.5716	NA	PeJP	NA	NA
+PJ070362	APLLLLKE 	C43H77N9O11	895.5743	NA	PeJP	NA	NA
+PJ070363	APLKRRR 	C38H73N17O8	895.5828	NA	PeJP	NA	NA
+PJ070364	APTLLLLR 	C42H77N11O10	895.5855	NA	PeJP	NA	NA
+PJ070365	AAPLLKKR 	C41H77N13O9	895.5968	NA	PeJP	NA	NA
+PJ070366	PVLKKRR 	C40H77N15O8	895.608	NA	PeJP	NA	NA
+PJ070367	SPLLLLLK 	C44H81N9O10	895.6107	NA	PeJP	NA	NA
+PJ070368	GVLLLLLR 	C43H81N11O9	895.6219	NA	PeJP	NA	NA
+PJ070369	LLLLLRR 	C42H81N13O8	895.6331	NA	PeJP	NA	NA
+PJ070370	ALLLLLLK 	C45H85N9O9	895.6471	NA	PeJP	NA	NA
+HMDB08356	PC(20:2(11Z,14Z)/24:1(15Z))	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08388	PC(20:3(5Z,8Z,11Z)/24:0)	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08420	PC(20:3(8Z,11Z,14Z)/24:0)	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08579	PC(22:1(13Z)/22:2(13Z,16Z))	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08611	PC(22:2(13Z,16Z)/22:1(13Z))	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08770	PC(24:0/20:3(5Z,8Z,11Z))	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08771	PC(24:0/20:3(8Z,11Z,14Z))	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+HMDB08802	PC(24:1(15Z)/20:2(11Z,14Z))	C52H98NO8P	895.703003	NA	HMDB2010	NA	NA
+MJ097108	Quisqualin A 	C39H28O25	896.091966	NA	MeJP	NA	NA
+PJ070371	CCCCCCEM 	C28H48N8O11S7	896.1488	NA	PeJP	NA	NA
+PJ070372	PCCCCCCY 	C32H48N8O10S6	896.1818	NA	PeJP	NA	NA
+PJ070373	TCCCCCMM 	C29H52N8O10S7	896.1852	NA	PeJP	NA	NA
+PJ070374	GCCCCDMY 	C32H48N8O12S5	896.1996	NA	PeJP	NA	NA
+PJ070375	SCCCDDDH 	C30H44N10O16S3	896.2099	NA	PeJP	NA	NA
+PJ070376	PCCCCCEH 	C31H48N10O11S5	896.2108	NA	PeJP	NA	NA
+PJ070377	PCCDDDDD 	C31H44N8O19S2	896.2165	NA	PeJP	NA	NA
+PJ070378	SSCCCCEY 	C32H48N8O14S4	896.2173	NA	PeJP	NA	NA
+PJ070379	GCCCCMMF 	C33H52N8O9S6	896.2182	NA	PeJP	NA	NA
+PJ070380	GCCCDEMH 	C31H48N10O13S4	896.2286	NA	PeJP	NA	NA
+PJ070381	GCCCCDFF 	C36H48N8O11S4	896.2326	NA	PeJP	NA	NA
+PJ070382	GDDDDDDM 	C31H44N8O21S	896.2342	NA	PeJP	NA	NA
+PJ070383	GSCCCMMY 	C33H52N8O11S5	896.2359	NA	PeJP	NA	NA
+PJ070384	SCCCCNQH 	C30H48N12O12S4	896.2398	NA	PeJP	NA	NA
+PJ070385	CCCDMHW 	C35H48N10O10S4	896.2438	NA	PeJP	NA	NA
+PJ070386	SCNNDDDD 	C30H44N10O20S	896.2454	NA	PeJP	NA	NA
+PJ070387	GGSCNDDDD 	C30H44N10O20S	896.2455	NA	PeJP	NA	NA
+PJ070388	SSCCDDMH 	C31H48N10O15S3	896.2463	NA	PeJP	NA	NA
+PJ070389	PTCCCCMH 	C32H52N10O10S5	896.2472	NA	PeJP	NA	NA
+PJ070390	CDDDDEW 	C35H44N8O18S	896.2495	NA	PeJP	NA	NA
+PJ070391	CCCNEYY 	C36H48N8O13S3	896.2503	NA	PeJP	NA	NA
+PJ070392	SSDDDDDE 	C31H44N8O23	896.252	NA	PeJP	NA	NA
+PJ070393	SPCDDDDM 	C32H48N8O18S2	896.2528	NA	PeJP	NA	NA
+PJ070394	SSTCCCMY 	C33H52N8O13S4	896.2537	NA	PeJP	NA	NA
+PJ070395	GSSSCCCNH 	C30H48N12O14S3	896.2575	NA	PeJP	NA	NA
+PJ070396	GGGSSSCCCH 	C30H48N12O14S3	896.2576	NA	PeJP	NA	NA
+PJ070397	GPCCCNDW 	C35H48N10O12S3	896.2616	NA	PeJP	NA	NA
+PJ070398	GCNNDDEM 	C31H48N10O17S2	896.2641	NA	PeJP	NA	NA
+PJ070399	GSCCEMMH 	C32H52N10O12S4	896.2649	NA	PeJP	NA	NA
+PJ070400	GGGPPTCCCC 	C32H52N10O12S4	896.265	NA	PeJP	NA	NA
+PJ070401	GCCCYYW 	C40H48N8O10S3	896.2656	NA	PeJP	NA	NA
+PJ070402	GSSCCDYY 	C36H48N8O15S2	896.2681	NA	PeJP	NA	NA
+PJ070403	CCCQMFY 	C37H52N8O10S4	896.269	NA	PeJP	NA	NA
+PJ070404	GSDDDEEM 	C32H48N8O20S	896.2706	NA	PeJP	NA	NA
+PJ070405	GPCDDEMM 	C33H52N8O15S3	896.2715	NA	PeJP	NA	NA
+PJ070406	GCCCNNHF 	C34H48N12O11S3	896.2728	NA	PeJP	NA	NA
+PJ070407	GCCNDDDR 	C30H48N12O16S2	896.2753	NA	PeJP	NA	NA
+PJ070408	SCCCCNKH 	C31H52N12O11S4	896.2762	NA	PeJP	NA	NA
+PJ070409	CNNDDMW 	C35H48N10O14S2	896.2793	NA	PeJP	NA	NA
+PJ070410	SCCMMHW 	C36H52N10O9S4	896.2802	NA	PeJP	NA	NA
+PJ070411	SSNNDDDM 	C31H48N10O19S	896.2818	NA	PeJP	NA	NA
+PJ070412	SSSCDMMH 	C32H52N10O14S3	896.2827	NA	PeJP	NA	NA
+PJ070413	CNMMMMH 	C33H56N10O9S5	896.2836	NA	PeJP	NA	NA
+PJ070414	GTCCCHHH 	C33H48N14O10S3	896.284	NA	PeJP	NA	NA
+PJ070415	SCDEEEW 	C36H48N8O17S	896.2858	NA	PeJP	NA	NA
+PJ070416	SDDDEMW 	C36H48N8O17S	896.2859	NA	PeJP	NA	NA
+PJ070417	PCDDMMW 	C37H52N8O12S3	896.2867	NA	PeJP	NA	NA
+PJ070418	SSSDDEEE 	C32H48N8O22	896.2884	NA	PeJP	NA	NA
+PJ070419	NDEEEMM 	C33H52N8O17S2	896.2892	NA	PeJP	NA	NA
+PJ070420	GSDDDDHH 	C33H44N12O18	896.2897	NA	PeJP	NA	NA
+PJ070421	SPPCCEMM 	C34H56N8O12S4	896.2901	NA	PeJP	NA	NA
+PJ070422	GSCCNNNW 	C34H48N12O13S2	896.2906	NA	PeJP	NA	NA
+PJ070423	GSSSCNNND 	C30H48N12O18S	896.2931	NA	PeJP	NA	NA
+PJ070424	SPCCCNDR 	C31H52N12O13S3	896.2939	NA	PeJP	NA	NA
+PJ070425	GGGGGGGCNMM 	C31H52N12O13S3	896.294	NA	PeJP	NA	NA
+PJ070426	GCCNEWW 	C39H48N10O11S2	896.2946	NA	PeJP	NA	NA
+PJ070427	GSSCNDEW 	C35H48N10O16S	896.2971	NA	PeJP	NA	NA
+PJ070428	SCCCRYY 	C36H52N10O11S3	896.2979	NA	PeJP	NA	NA
+PJ070429	GSPCCNMW 	C36H52N10O11S3	896.298	NA	PeJP	NA	NA
+PJ070430	GSSSSNDDE 	C31H48N10O21	896.2996	NA	PeJP	NA	NA
+PJ070431	ATCCDQQE 	C32H52N10O16S2	896.3004	NA	PeJP	NA	NA
+PJ070432	DDDDMMR 	C32H52N10O16S2	896.3005	NA	PeJP	NA	NA
+PJ070433	PCDDDFW 	C40H48N8O14S	896.3011	NA	PeJP	NA	NA
+PJ070434	GSTCMMMH 	C33H56N10O11S4	896.3013	NA	PeJP	NA	NA
+PJ070435	SSSCCHHH 	C33H48N14O12S2	896.3018	NA	PeJP	NA	NA
+PJ070436	CCCQFFF 	C41H52N8O9S3	896.302	NA	PeJP	NA	NA
+PJ070437	GSPDDDEY 	C36H48N8O19	896.3036	NA	PeJP	NA	NA
+PJ070438	GDEEMMW 	C37H52N8O14S2	896.3045	NA	PeJP	NA	NA
+PJ070439	GCCCNNQR 	C30H52N14O12S3	896.3052	NA	PeJP	NA	NA
+PJ070440	CCCKMFY 	C38H56N8O9S4	896.3053	NA	PeJP	NA	NA
+PJ070441	PPPCCCMF 	C38H56N8O9S4	896.3054	NA	PeJP	NA	NA
+PJ070442	PCCDHHW 	C38H48N12O10S2	896.3058	NA	PeJP	NA	NA
+PJ070443	GSSEEEEM 	C33H52N8O19S	896.307	NA	PeJP	NA	NA
+PJ070444	GSPDEMMM 	C34H56N8O14S3	896.3079	NA	PeJP	NA	NA
+PJ070445	GCNNNNDF 	C34H48N12O15S	896.3083	NA	PeJP	NA	NA
+PJ070446	GGGGGGGGGCDF 	C34H48N12O15S	896.3084	NA	PeJP	NA	NA
+PJ070447	GPPCMMMM 	C35H60N8O9S5	896.3087	NA	PeJP	NA	NA
+PJ070448	CCCEHFR 	C35H52N12O10S3	896.3092	NA	PeJP	NA	NA
+PJ070449	CCNWWW 	C43H48N10O8S2	896.3098	NA	PeJP	NA	NA
+PJ070450	GSCNDDMR 	C31H52N12O15S2	896.3117	NA	PeJP	NA	NA
+PJ070451	SSCNDWW 	C39H48N10O13S	896.3123	NA	PeJP	NA	NA
+PJ070452	GGCDDHFF 	C39H48N10O13S	896.3124	NA	PeJP	NA	NA
+PJ070453	GPCCCQMR 	C32H56N12O10S4	896.3126	NA	PeJP	NA	NA
+PJ070454	ACCMHFW 	C40H52N10O8S3	896.3132	NA	PeJP	NA	NA
+PJ070455	SSSSNDDW 	C35H48N10O18	896.3148	NA	PeJP	NA	NA
+PJ070456	GGGGNDEEY 	C35H48N10O18	896.3149	NA	PeJP	NA	NA
+PJ070457	SNNDMMW 	C36H52N10O13S2	896.3157	NA	PeJP	NA	NA
+PJ070458	CCNHHHF 	C37H48N14O9S2	896.3171	NA	PeJP	NA	NA
+PJ070459	SSSNNEEM 	C32H52N10O18S	896.3182	NA	PeJP	NA	NA
+PJ070460	SPDDDYW 	C40H48N8O16	896.3189	NA	PeJP	NA	NA
+PJ070461	SSSSMMMH 	C33H56N10O13S3	896.3191	NA	PeJP	NA	NA
+PJ070462	CDDDHHR 	C33H48N14O14S	896.3196	NA	PeJP	NA	NA
+PJ070463	DEMMWW 	C41H52N8O11S2	896.3197	NA	PeJP	NA	NA
+MJ097109	Perdeacyleuojaponin; 2-(3-Pyridinecarbonyl), 8-(2-methylpropanoyl), 1,6,9,14-tetra-Ac 	C44H52N2O18	896.321512	NA	MeJP	NA	NA
+MJ097110	Perdeacyleuojaponin; 8-(3-Pyridinecarbonyl), 2-(2-methylpropanoyl), 1,6,9,14-tetra-Ac 	C44H52N2O18	896.321512	NA	MeJP	NA	NA
+PJ070464	SSEEEMW 	C37H52N8O16S	896.3222	NA	PeJP	NA	NA
+PJ070465	SSCCNNNR 	C30H52N14O14S2	896.3229	NA	PeJP	NA	NA
+PJ070466	SPDMMMW 	C38H56N8O11S3	896.3231	NA	PeJP	NA	NA
+PJ070467	GDDMHHW 	C38H48N12O12S	896.3236	NA	PeJP	NA	NA
+PJ070468	GPCCCCRR 	C31H56N14O9S4	896.3238	NA	PeJP	NA	NA
+PJ070469	SSSTEEEE 	C33H52N8O21	896.3247	NA	PeJP	NA	NA
+PJ070470	TQEEEMM 	C34H56N8O16S2	896.3256	NA	PeJP	NA	NA
+PJ070471	GSNNNNDY 	C34H48N12O17	896.3261	NA	PeJP	NA	NA
+PJ070472	EEMYYY 	C42H52N6O14S	896.3262	NA	PeJP	NA	NA
+PJ070473	PQEMMMM 	C35H60N8O11S4	896.3265	NA	PeJP	NA	NA
+PJ070474	SCCNERW 	C35H52N12O12S2	896.3269	NA	PeJP	NA	NA
+PJ070475	GGSCCERW 	C35H52N12O12S2	896.327	NA	PeJP	NA	NA
+PJ070476	SSSCNDER 	C31H52N12O17S	896.3294	NA	PeJP	NA	NA
+PJ070477	GGSSTCDDR 	C31H52N12O17S	896.3295	NA	PeJP	NA	NA
+PJ070478	GNNDEYW 	C39H48N10O15	896.3301	NA	PeJP	NA	NA
+PJ070479	CNNEMMR 	C32H56N12O12S3	896.3303	NA	PeJP	NA	NA
+PJ070480	GSCQMWW 	C40H52N10O10S2	896.331	NA	PeJP	NA	NA
+PJ070481	GSSSNEMW 	C36H52N10O15S	896.3335	NA	PeJP	NA	NA
+PJ070482	DDEFWW 	C44H48N8O13	896.3341	NA	PeJP	NA	NA
+PJ070483	GNQMMMW 	C37H56N10O10S3	896.3343	NA	PeJP	NA	NA
+PJ070484	GGGGAMMMW 	C37H56N10O10S3	896.3344	NA	PeJP	NA	NA
+PJ070485	SCNNHHW 	C37H48N14O11S	896.3348	NA	PeJP	NA	NA
+PJ070486	GSSSSSQEE 	C32H52N10O20	896.336	NA	PeJP	NA	NA
+PJ070487	SDEEMMR 	C33H56N10O15S2	896.3368	NA	PeJP	NA	NA
+PJ070488	GGGGGTTEMM 	C33H56N10O15S2	896.3369	NA	PeJP	NA	NA
+PJ070489	SSSNNDHH 	C33H48N14O16	896.3373	NA	PeJP	NA	NA
+PJ070490	GPDEMYW 	C41H52N8O13S	896.3375	NA	PeJP	NA	NA
+PJ070491	PCEMMMR 	C34H60N10O10S4	896.3377	NA	PeJP	NA	NA
+PJ070492	NNNMMHH 	C34H52N14O11S2	896.3382	NA	PeJP	NA	NA
+PJ070493	CCCKFFF 	C42H56N8O8S3	896.3384	NA	PeJP	NA	NA
+PJ070494	CEHHWW 	C42H48N12O9S	896.3388	NA	PeJP	NA	NA
+PJ070495	AQEEEEY 	C37H52N8O18	896.34	NA	PeJP	NA	NA
+PJ070496	ATEEMMW 	C38H56N8O13S2	896.3409	NA	PeJP	NA	NA
+PJ070497	SSDEHHW 	C38H48N12O14	896.3413	NA	PeJP	NA	NA
+PJ070498	GGGGPDDHW 	C38H48N12O14	896.3414	NA	PeJP	NA	NA
+PJ070499	CCNDMRR 	C31H56N14O11S3	896.3416	NA	PeJP	NA	NA
+PJ070500	APMMMMW 	C39H60N8O8S4	896.3417	NA	PeJP	NA	NA
+PJ070501	GSCCRWW 	C39H52N12O9S2	896.3422	NA	PeJP	NA	NA
+PJ070502	GTTTEEEM 	C34H56N8O18S	896.3434	NA	PeJP	NA	NA
+PJ070503	VQEEMMM 	C35H60N8O13S3	896.3442	NA	PeJP	NA	NA
+PJ070504	GSSSCDRW 	C35H52N12O14S	896.3447	NA	PeJP	NA	NA
+PJ070505	NNDYWW 	C43H48N10O12	896.3453	NA	PeJP	NA	NA
+PJ070506	GGNDYWW 	C43H48N10O12	896.3454	NA	PeJP	NA	NA
+PJ070507	GCNMMRW 	C36H56N12O9S3	896.3456	NA	PeJP	NA	NA
+PJ070508	GSSSSSDDR 	C31H52N12O19	896.3472	NA	PeJP	NA	NA
+PJ070509	GSSNDMMR 	C32H56N12O14S2	896.3481	NA	PeJP	NA	NA
+PJ070510	GNNNNNNH 	C32H48N16O15	896.3485	NA	PeJP	NA	NA
+PJ070511	GGGGGNNNNH 	C32H48N16O15	896.3486	NA	PeJP	NA	NA
+PJ070512	SSSNMWW 	C40H52N10O12S	896.3487	NA	PeJP	NA	NA
+PJ070513	GPCCCKMR 	C33H60N12O9S4	896.349	NA	PeJP	NA	NA
+PJ070514	CCNQHHR 	C33H52N16O10S2	896.3494	NA	PeJP	NA	NA
+PJ070515	SSSSSQEW 	C36H52N10O17	896.3512	NA	PeJP	NA	NA
+PJ070516	GGGGPPPDDE 	C36H52N10O17	896.3513	NA	PeJP	NA	NA
+PJ070517	SSQQMMW 	C37H56N10O12S2	896.3521	NA	PeJP	NA	NA
+PJ070518	NNNDHHF 	C37H48N14O13	896.3526	NA	PeJP	NA	NA
+PJ070519	PDMYWW 	C45H52N8O10S	896.3527	NA	PeJP	NA	NA
+PJ070520	GGGCFFFY 	C45H52N8O10S	896.3528	NA	PeJP	NA	NA
+PJ070521	SSSNDKEM 	C33H56N10O17S	896.3546	NA	PeJP	NA	NA
+PJ070522	AAEEEYW 	C41H52N8O15	896.3552	NA	PeJP	NA	NA
+PJ070523	GVDEEYW 	C41H52N8O15	896.3553	NA	PeJP	NA	NA
+PJ070524	AEEMMMR 	C34H60N10O12S3	896.3555	NA	PeJP	NA	NA
+PJ070525	CNNNNRY 	C34H52N14O13S	896.3559	NA	PeJP	NA	NA
+PJ070526	GGGGGGCNRY 	C34H52N14O13S	896.356	NA	PeJP	NA	NA
+PJ070527	PPTCMYW 	C42H56N8O10S2	896.3561	NA	PeJP	NA	NA
+PJ070528	ACCCRRW 	C35H56N14O8S3	896.3568	NA	PeJP	NA	NA
+MJ097111	Virotoxin; Viroidin 	C38H56N8O15S	896.358583	NA	MeJP	NA	NA
+MJ097112	Virotoxin; Viroisin, S-Deoxy 	C38H56N8O15S	896.358583	NA	MeJP	NA	NA
+PJ070529	TTTEEMW 	C38H56N8O15S	896.3586	NA	PeJP	NA	NA
+PJ070530	PEYYYY 	C46H52N6O13	896.3593	NA	PeJP	NA	NA
+PJ070531	GLEMMMW 	C39H60N8O10S3	896.3595	NA	PeJP	NA	NA
+PJ070532	GCNDFRW 	C39H52N12O11S	896.36	NA	PeJP	NA	NA
+PJ070533	STTTTEEE 	C34H56N8O20	896.3611	NA	PeJP	NA	NA
+PJ070534	TKEEEMM 	C35H60N8O15S2	896.362	NA	PeJP	NA	NA
+PJ070535	GSSNNQQY 	C35H52N12O16	896.3624	NA	PeJP	NA	NA
+PJ070536	SNNDERY 	C35H52N12O16	896.3625	NA	PeJP	NA	NA
+PJ070537	PKEMMMM 	C36H64N8O10S4	896.3629	NA	PeJP	NA	NA
+PJ070538	SSCQMRW 	C36H56N12O11S2	896.3633	NA	PeJP	NA	NA
+PJ070539	GGGGGPPMMH 	C36H56N12O11S2	896.3634	NA	PeJP	NA	NA
+PJ070540	SNEHHHH 	C36H48N16O12	896.3638	NA	PeJP	NA	NA
+PJ070541	NNMFWW 	C44H52N10O9S	896.364	NA	PeJP	NA	NA
+PJ070542	SSSSNEMR 	C32H56N12O16S	896.3658	NA	PeJP	NA	NA
+PJ070543	GSSSSTWW 	C40H52N10O14	896.3665	NA	PeJP	NA	NA
+PJ070544	SNQMMMR 	C33H60N12O11S3	896.3667	NA	PeJP	NA	NA
+PJ070545	GSSCNHHR 	C33H52N16O12S	896.3672	NA	PeJP	NA	NA
+PJ070546	ATCCKWW 	C41H56N10O9S2	896.3673	NA	PeJP	NA	NA
+PJ070547	GSCKMWW 	C41H56N10O9S2	896.3674	NA	PeJP	NA	NA
+MJ097113	Sandoricin; 15-O-[?-L-Rhamnopyranosyl(1?6)-?-D-glucopyranoside] 	C43H60O20	896.367794	NA	MeJP	NA	NA
+C06319	Precorrin 6Y	C44H56N4O16	896.3691	NA	KEGG	NA	NA
+MJ097114	Precorrin 6Y 	C44H56N4O16	896.369131	NA	MeJP	NA	NA
+MetaCyc04268	precorrin-6y [precorrin-6B;]	C44H56N4O16	896.369132	NA	metacyc	NA	NA
+PJ070548	GSSTTQMW 	C37H56N10O14S	896.3698	NA	PeJP	NA	NA
+PJ070549	GSSSDKMW 	C37H56N10O14S	896.3699	NA	PeJP	NA	NA
+PJ070550	VDEYWW 	C45H52N8O12	896.3705	NA	PeJP	NA	NA
+PJ070551	GNKMMMW 	C38H60N10O9S3	896.3707	NA	PeJP	NA	NA
+PJ070552	PMMFWW 	C46H56N8O7S2	896.3714	NA	PeJP	NA	NA
+PJ070553	GSSSSSKEE 	C33H56N10O19	896.3723	NA	PeJP	NA	NA
+PJ070554	GSSSSTDKE 	C33H56N10O19	896.3724	NA	PeJP	NA	NA
+PJ070555	TTEEMMR 	C34H60N10O14S2	896.3732	NA	PeJP	NA	NA
+PJ070556	GSPNDDHR 	C34H52N14O15	896.3737	NA	PeJP	NA	NA
+PJ070557	APTEMYW 	C42H56N8O12S	896.3739	NA	PeJP	NA	NA
+PJ070558	PTMMMMR 	C35H64N10O9S4	896.3741	NA	PeJP	NA	NA
+PJ070559	SSCCRRW 	C35H56N14O10S2	896.3746	NA	PeJP	NA	NA
+PJ070560	LMMMWW 	C43H60N8O7S3	896.3747	NA	PeJP	NA	NA
+PJ070561	TMHHWW 	C43H52N12O8S	896.3752	NA	PeJP	NA	NA
+PJ070562	AKEEEEY 	C38H56N8O17	896.3764	NA	PeJP	NA	NA
+PJ070563	SSSSCDRR 	C31H56N14O15S	896.3771	NA	PeJP	NA	NA
+PJ070564	STLEMMW 	C39H60N8O12S2	896.3772	NA	PeJP	NA	NA
+PJ070565	GGPLEMMY 	C39H60N8O12S2	896.3773	NA	PeJP	NA	NA
+PJ070566	GSNDRYW 	C39H52N12O13	896.3777	NA	PeJP	NA	NA
+PJ070567	GGGGGGGGGAFF 	C39H52N12O13	896.3778	NA	PeJP	NA	NA
+PJ070568	SCNMMRR 	C32H60N14O10S3	896.3779	NA	PeJP	NA	NA
+PJ070569	GVMMHHW 	C40H56N12O8S2	896.3786	NA	PeJP	NA	NA
+PJ070570	GSHHHHW 	C40H48N16O9	896.3791	NA	PeJP	NA	NA
+PJ070571	SSTTLEEM 	C35H60N8O17S	896.3797	NA	PeJP	NA	NA
+PJ070572	VKEEMMM 	C36H64N8O12S3	896.3806	NA	PeJP	NA	NA
+PJ070573	GSSSSMRW 	C36H56N12O13S	896.3811	NA	PeJP	NA	NA
+PJ070574	SQQYWW 	C44H52N10O11	896.3817	NA	PeJP	NA	NA
+MJ097115	Lyciumin; Lyciumin B 	C44H52N10O11	896.381702	NA	MeJP	NA	NA
+PJ070575	GGGGGPFYW 	C44H52N10O11	896.3818	NA	PeJP	NA	NA
+PJ070576	ACCKMRW 	C37H60N12O8S3	896.382	NA	PeJP	NA	NA
+PJ070577	AQMHHHH 	C37H52N16O9S	896.3824	NA	PeJP	NA	NA
+PJ070578	GSSSSSTER 	C32H56N12O18	896.3836	NA	PeJP	NA	NA
+PJ070579	ASSSQMMR 	C33H60N12O13S2	896.3844	NA	PeJP	NA	NA
+PJ070580	GSSTQMMR 	C33H60N12O13S2	896.3845	NA	PeJP	NA	NA
+PJ070581	NNNNEHR 	C33H52N16O14	896.3849	NA	PeJP	NA	NA
+PJ070582	GGGGGGNEHR 	C33H52N16O14	896.385	NA	PeJP	NA	NA
+PJ070583	SSTCKWW 	C41H56N10O11S	896.3851	NA	PeJP	NA	NA
+PJ070584	PDFFWW 	C49H52N8O9	896.3858	NA	PeJP	NA	NA
+PJ070585	SSSSSKEW 	C37H56N10O16	896.3876	NA	PeJP	NA	NA
+PJ070586	SSQKMMW 	C38H60N10O11S2	896.3885	NA	PeJP	NA	NA
+PJ070587	GNQQQHW 	C38H52N14O12	896.3889	NA	PeJP	NA	NA
+PJ070588	GGGQQQHW 	C38H52N14O12	896.389	NA	PeJP	NA	NA
+PJ070589	VEMFWW 	C46H56N8O9S	896.3891	NA	PeJP	NA	NA
+PJ070590	TCCCRRR 	C31H60N16O9S3	896.3892	NA	PeJP	NA	NA
+PJ070591	MMHHRW 	C39H56N14O7S2	896.3898	NA	PeJP	NA	NA
+PJ070592	SSSTQKEM 	C34H60N10O16S	896.391	NA	PeJP	NA	NA
+PJ070593	GTLEEYW 	C42H56N8O14	896.3916	NA	PeJP	NA	NA
+PJ070594	SLEMMMR 	C35H64N10O11S3	896.3918	NA	PeJP	NA	NA
+PJ070595	VTEMMMR 	C35H64N10O11S3	896.3919	NA	PeJP	NA	NA
+PJ070596	GCNERRY 	C35H56N14O12S	896.3923	NA	PeJP	NA	NA
+PJ070597	GGGGGGAPCKH 	C35H56N14O12S	896.3924	NA	PeJP	NA	NA
+PJ070598	GPLMMYW 	C43H60N8O9S2	896.3925	NA	PeJP	NA	NA
+PJ070599	GSPQHWW 	C43H52N12O10	896.393	NA	PeJP	NA	NA
+PJ070600	ACHHHHR 	C36H52N18O8S	896.3937	NA	PeJP	NA	NA
+PJ070601	PTKEEMY 	C39H60N8O14S	896.395	NA	PeJP	NA	NA
+PJ070602	LEFYYY 	C47H56N6O12	896.3956	NA	PeJP	NA	NA
+PJ070603	GSSTCMRR 	C32H60N14O12S2	896.3957	NA	PeJP	NA	NA
+PJ070604	SVLMMMW 	C40H64N8O9S3	896.3959	NA	PeJP	NA	NA
+PJ070605	NQMRYW 	C40H56N12O10S	896.3963	NA	PeJP	NA	NA
+PJ070606	GGGAMRYW 	C40H56N12O10S	896.3964	NA	PeJP	NA	NA
+PJ070607	NHFFFW 	C48H52N10O8	896.397	NA	PeJP	NA	NA
+PJ070608	SSSLLEMM 	C36H64N8O14S2	896.3984	NA	PeJP	NA	NA
+PJ070609	SSSSSTRW 	C36H56N12O15	896.3988	NA	PeJP	NA	NA
+PJ070610	GGGGTTERY 	C36H56N12O15	896.3989	NA	PeJP	NA	NA
+PJ070611	LLQMMMM 	C37H68N8O9S4	896.3992	NA	PeJP	NA	NA
+PJ070612	GALLMMMM 	C37H68N8O9S4	896.3993	NA	PeJP	NA	NA
+PJ070613	SSCKMRW 	C37H60N12O10S2	896.3997	NA	PeJP	NA	NA
+PJ070614	GNNNHRW 	C37H52N16O11	896.4002	NA	PeJP	NA	NA
+PJ070615	CQKFWW 	C45H56N10O8S	896.4004	NA	PeJP	NA	NA
+PJ070616	SSSSDKMR 	C33H60N12O15S	896.4022	NA	PeJP	NA	NA
+PJ070617	GSQKEYW 	C41H56N10O13	896.4029	NA	PeJP	NA	NA
+PJ070618	SNKMMMR 	C34H64N12O10S3	896.4031	NA	PeJP	NA	NA
+PJ070619	PCNDHRR 	C34H56N16O11S	896.4036	NA	PeJP	NA	NA
+PJ070620	PPVMMHW 	C42H60N10O8S2	896.4037	NA	PeJP	NA	NA
+PJ070621	DHHFRW 	C42H52N14O9	896.4042	NA	PeJP	NA	NA
+PJ070622	GSSTTKMW 	C38H60N10O13S	896.4062	NA	PeJP	NA	NA
+PJ070623	GGGGVKEMY 	C38H60N10O13S	896.4063	NA	PeJP	NA	NA
+PJ070624	TLEYWW 	C46H56N8O11	896.4069	NA	PeJP	NA	NA
+PJ070625	ACKKMMW 	C39H64N10O8S3	896.4071	NA	PeJP	NA	NA
+PJ070626	CNRRYW 	C39H56N14O9S	896.4076	NA	PeJP	NA	NA
+PJ070627	GSSSTTTKE 	C34H60N10O18	896.4087	NA	PeJP	NA	NA
+PJ070628	GSSKKEMM 	C35H64N10O13S2	896.4096	NA	PeJP	NA	NA
+PJ070629	SSNDRRY 	C35H56N14O14	896.4101	NA	PeJP	NA	NA
+PJ070630	SPTLMYW 	C43H60N8O11S	896.4102	NA	PeJP	NA	NA
+PJ070631	GVLEMYW 	C43H60N8O11S	896.4103	NA	PeJP	NA	NA
+PJ070632	VVMMMMR 	C36H68N10O8S4	896.4105	NA	PeJP	NA	NA
+PJ070633	ACNMFRR 	C36H60N14O9S2	896.4109	NA	PeJP	NA	NA
+PJ070634	GCQMFRR 	C36H60N14O9S2	896.411	NA	PeJP	NA	NA
+PJ070635	SSHHHHR 	C36H52N18O10	896.4114	NA	PeJP	NA	NA
+PJ070636	SSPTTLEY 	C39H60N8O16	896.4127	NA	PeJP	NA	NA
+PJ070637	SLKEEEY 	C39H60N8O16	896.4128	NA	PeJP	NA	NA
+PJ070638	SSSSSMRR 	C32H60N14O14S	896.4134	NA	PeJP	NA	NA
+MJ097116	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Me glycoside, hexabenzyl 	C55H60O11	896.413562	NA	MeJP	NA	NA
+PJ070639	PVKEMMY 	C40H64N8O11S2	896.4136	NA	PeJP	NA	NA
+PJ070640	GSTQRYW 	C40H56N12O12	896.4141	NA	PeJP	NA	NA
+PJ070641	TCCKMRR 	C33H64N14O9S3	896.4143	NA	PeJP	NA	NA
+PJ070642	TTTTTLEM 	C36H64N8O16S	896.4161	NA	PeJP	NA	NA
+PJ070643	GTTLLMMM 	C37H68N8O11S3	896.417	NA	PeJP	NA	NA
+PJ070644	GNKEMRY 	C37H60N12O12S	896.4175	NA	PeJP	NA	NA
+PJ070645	SQKYWW 	C45H56N10O10	896.4181	NA	PeJP	NA	NA
+PJ070646	AKMHHHH 	C38H56N16O8S	896.4188	NA	PeJP	NA	NA
+MJ097117	Maoecrystal M 	C48H64O16	896.419436	NA	MeJP	NA	NA
+MJ097118	Neoviridogrisein II; Chloro 	C44H61ClN8O10	896.419917	NA	MeJP	NA	NA
+PJ070647	SSSSSSSLR 	C33H60N12O17	896.42	NA	PeJP	NA	NA
+PJ070648	GSSTKMMR 	C34H64N12O12S2	896.4208	NA	PeJP	NA	NA
+PJ070649	GNEEHRR 	C34H56N16O13	896.4213	NA	PeJP	NA	NA
+PJ070650	LEMRYW 	C42H60N10O10S	896.4215	NA	PeJP	NA	NA
+PJ070651	PVFYWW 	C50H56N8O8	896.4221	NA	PeJP	NA	NA
+PJ070652	GPPFFFW 	C50H56N8O8	896.4222	NA	PeJP	NA	NA
+PJ070653	SSSTTTKW 	C38H60N10O15	896.424	NA	PeJP	NA	NA
+PJ070654	SSKKMMW 	C39H64N10O10S2	896.4249	NA	PeJP	NA	NA
+PJ070655	AAQEHRW 	C39H56N14O11	896.4253	NA	PeJP	NA	NA
+PJ070656	GGGVEHRW 	C39H56N14O11	896.4254	NA	PeJP	NA	NA
+PJ070657	VLMYWW 	C47H60N8O8S	896.4255	NA	PeJP	NA	NA
+PJ070658	SSSTKKEM 	C35H64N10O15S	896.4274	NA	PeJP	NA	NA
+PJ070659	SSLLEYW 	C43H60N8O13	896.428	NA	PeJP	NA	NA
+PJ070660	TQKKMMM 	C36H68N10O10S3	896.4282	NA	PeJP	NA	NA
+PJ070661	GSQMRRY 	C36H60N14O11S	896.4287	NA	PeJP	NA	NA
+PJ070662	GLLMMFW 	C44H64N8O8S2	896.4289	NA	PeJP	NA	NA
+PJ070663	GSPKHWW 	C44H56N12O9	896.4294	NA	PeJP	NA	NA
+PJ070664	VVKEEMY 	C40H64N8O13S	896.4314	NA	PeJP	NA	NA
+PJ070665	LLYYYY 	C48H60N6O11	896.432	NA	PeJP	NA	NA
+PJ070666	PLKMMMF 	C41H68N8O8S3	896.4323	NA	PeJP	NA	NA
+PJ070667	SNNNHRR 	C33H56N18O12	896.4325	NA	PeJP	NA	NA
+PJ070668	GGSNNHRR 	C33H56N18O12	896.4326	NA	PeJP	NA	NA
+PJ070669	NKMRYW 	C41H60N12O9S	896.4327	NA	PeJP	NA	NA
+PJ070670	STTTLLMM 	C37H68N8O13S2	896.4347	NA	PeJP	NA	NA
+PJ070671	SSQKERY 	C37H60N12O14	896.4352	NA	PeJP	NA	NA
+PJ070672	GGAALDKEH 	C37H60N12O14	896.4353	NA	PeJP	NA	NA
+PJ070673	LLKMMMM 	C38H72N8O8S4	896.4356	NA	PeJP	NA	NA
+PJ070674	PCCKKRY 	C38H64N12O9S2	896.4361	NA	PeJP	NA	NA
+PJ070675	NEHRRW 	C38H56N16O10	896.4366	NA	PeJP	NA	NA
+PJ070676	CKKFWW 	C46H60N10O7S	896.4368	NA	PeJP	NA	NA
+PJ070677	SSSTTKMR 	C34H64N12O14S	896.4386	NA	PeJP	NA	NA
+PJ070678	ASDKKYW 	C42H60N10O12	896.4392	NA	PeJP	NA	NA
+PJ070679	GSKKEYW 	C42H60N10O12	896.4393	NA	PeJP	NA	NA
+PJ070680	TCKKMMR 	C35H68N12O9S3	896.4395	NA	PeJP	NA	NA
+PJ070681	GSCRRRY 	C35H60N16O10S	896.4399	NA	PeJP	NA	NA
+PJ070682	GGSPMHRR 	C35H60N16O10S	896.44	NA	PeJP	NA	NA
+MJ097119	Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C45H68O18	896.440565	NA	MeJP	NA	NA
+PJ070683	VNHRWW 	C43H56N14O8	896.4406	NA	PeJP	NA	NA
+PJ070684	SVLEMRY 	C39H64N10O12S	896.4426	NA	PeJP	NA	NA
+PJ070685	GPVLYYW 	C47H60N8O10	896.4433	NA	PeJP	NA	NA
+PJ070686	APCKHRW 	C40H60N14O8S	896.444	NA	PeJP	NA	NA
+PJ070687	SSSSSTTLK 	C35H64N10O17	896.4451	NA	PeJP	NA	NA
+PJ070688	GTTTKKMM 	C36H68N10O12S2	896.446	NA	PeJP	NA	NA
+PJ070689	SSTQRRY 	C36H60N14O13	896.4465	NA	PeJP	NA	NA
+PJ070690	ATLLMYW 	C44H64N8O10S	896.4466	NA	PeJP	NA	NA
+PJ070691	GGPLLMFY 	C44H64N8O10S	896.4467	NA	PeJP	NA	NA
+PJ070692	GCKMFRR 	C37H64N14O8S2	896.4473	NA	PeJP	NA	NA
+PJ070693	GTTTLLEY 	C40H64N8O15	896.4491	NA	PeJP	NA	NA
+PJ070694	APPLLEEE 	C40H64N8O15	896.4492	NA	PeJP	NA	NA
+PJ070695	VLLQMMY 	C41H68N8O10S2	896.45	NA	PeJP	NA	NA
+PJ070696	GSTKRYW 	C41H60N12O11	896.4505	NA	PeJP	NA	NA
+PJ070697	GHRRWW 	C42H56N16O7	896.4518	NA	PeJP	NA	NA
+PJ070698	ATQKMRY 	C38H64N12O11S	896.4538	NA	PeJP	NA	NA
+PJ070699	GDKKMRY 	C38H64N12O11S	896.4539	NA	PeJP	NA	NA
+PJ070700	SKKYWW 	C46H60N10O9	896.4545	NA	PeJP	NA	NA
+PJ070701	GDKEHRR 	C35H60N16O12	896.4577	NA	PeJP	NA	NA
+PJ070702	AAKKMYW 	C43H64N10O9S	896.4579	NA	PeJP	NA	NA
+PJ070703	VLFFWW 	C51H60N8O7	896.4585	NA	PeJP	NA	NA
+PJ070704	SDKKKEY 	C39H64N10O14	896.4604	NA	PeJP	NA	NA
+PJ070705	ALLMMRY 	C40H68N10O9S2	896.4612	NA	PeJP	NA	NA
+PJ070706	VVVMMRY 	C40H68N10O9S2	896.4613	NA	PeJP	NA	NA
+MJ097120	1-Dodecanol; O-[?-L-Rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C42H72O20	896.461694	NA	MeJP	NA	NA
+PJ070707	GPPERRW 	C40H60N14O10	896.4617	NA	PeJP	NA	NA
+PJ070708	STTTTKKM 	C36H68N10O14S	896.4637	NA	PeJP	NA	NA
+PJ070709	TTTLLYW 	C44H64N8O12	896.4644	NA	PeJP	NA	NA
+PJ070710	TKKKMMM 	C37H72N10O9S3	896.4646	NA	PeJP	NA	NA
+PJ070711	GSKMRRY 	C37H64N14O10S	896.4651	NA	PeJP	NA	NA
+PJ070712	LQKHWW 	C45H60N12O8	896.4657	NA	PeJP	NA	NA
+PJ070713	GPPVRWW 	C45H60N12O8	896.4658	NA	PeJP	NA	NA
+PJ070714	TLLKEMY 	C41H68N8O12S	896.4678	NA	PeJP	NA	NA
+PJ070715	GSEHRRR 	C34H60N18O11	896.4689	NA	PeJP	NA	NA
+PJ070716	APKKMHW 	C42H64N12O8S	896.4691	NA	PeJP	NA	NA
+PJ070717	SSKKERY 	C38H64N12O13	896.4716	NA	PeJP	NA	NA
+PJ070718	GGGGGGGGPVLL 	C38H64N12O13	896.4717	NA	PeJP	NA	NA
+PJ070719	GKKMMFR 	C39H68N12O8S2	896.4725	NA	PeJP	NA	NA
+PJ070720	DKHRRW 	C39H60N16O9	896.473	NA	PeJP	NA	NA
+PJ070721	ATTKKYW 	C43H64N10O11	896.4756	NA	PeJP	NA	NA
+PJ070722	AAPPVKEW 	C43H64N10O11	896.4757	NA	PeJP	NA	NA
+PJ070723	GLQMHRR 	C36H64N16O9S	896.4763	NA	PeJP	NA	NA
+MJ097121	2,3-Dihydroxy-12,20(30)-ursadien-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097122	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097123	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097124	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097125	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097126	Spirost-5-en-3-ol, 3-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-apiofuranosyl-(1?4)]-?-D-glucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097127	Spirost-5-en-3-ol, 3-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-D-glucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097128	Spirost-5-ene-1,3-diol, 1-O-[?-D-Rhamnopyranosyl-(1?2)-[3-O-acetyl-?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097129	Spirost-5-ene-1,3-diol, 1-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097130	Spirost-5-ene-1,3-diol, 1-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-fucopyranoside] 	C46H72O17	896.47695	NA	MeJP	NA	NA
+MJ097131	?-Ilexanolic acid; 3-O-?-L-Arabinopyranoside, [?-D-xylopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C46H72O17	896.47695	NA	MeJP	NA	NA
+C17043	Ophiopogonin C	C46H72O17	896.477	NA	KEGG	NA	NA
+PJ070724	PPRRWW 	C44H60N14O7	896.477	NA	PeJP	NA	NA
+PJ070725	TTLLMRY 	C40H68N10O11S	896.479	NA	PeJP	NA	NA
+PJ070726	GVLLFYW 	C48H64N8O9	896.4797	NA	PeJP	NA	NA
+5403	formaecin 1	GRPNPVNNKPTPHPRL	896.4813	MH2+	Inhouse_peptide	NA	peptide
+PJ070727	SSTKRRY 	C37H64N14O12	896.4828	NA	PeJP	NA	NA
+PJ070728	PPDKERR 	C37H64N14O12	896.4829	NA	PeJP	NA	NA
+PJ070729	PVLKMFY 	C45H68N8O9S	896.483	NA	PeJP	NA	NA
+PJ070730	SHRRRW 	C38H60N18O8	896.4842	NA	PeJP	NA	NA
+PJ070731	SSTTLLLY 	C41H68N8O14	896.4855	NA	PeJP	NA	NA
+MJ097132	Lycogaride D 	C57H68O9	896.486333	NA	MeJP	NA	NA
+PJ070732	VLLKMMY 	C42H72N8O9S2	896.4864	NA	PeJP	NA	NA
+PJ070733	PPVDKRW 	C42H64N12O10	896.4869	NA	PeJP	NA	NA
+PJ070734	AAMHRRR 	C35H64N18O8S	896.4876	NA	PeJP	NA	NA
+PJ070735	ATKKMRY 	C39H68N12O10S	896.4902	NA	PeJP	NA	NA
+PJ070736	LLLDMHR 	C39H68N12O10S	896.4903	NA	PeJP	NA	NA
+PJ070737	APPLKWW 	C47H64N10O8	896.4909	NA	PeJP	NA	NA
+MJ097133	Brevetoxin B; 42-Alcohol 	C50H72O14	896.492207	NA	MeJP	NA	NA
+PJ070738	SPPERRR 	C36H64N16O11	896.4941	NA	PeJP	NA	NA
+PJ070739	VVLLMHW 	C44H68N10O8S	896.4943	NA	PeJP	NA	NA
+PJ070740	TTKKKEY 	C40H68N10O13	896.4968	NA	PeJP	NA	NA
+PJ070741	CLKKKMF 	C41H72N10O8S2	896.4976	NA	PeJP	NA	NA
+PJ070742	SPPVRRW 	C41H64N14O9	896.4981	NA	PeJP	NA	NA
+PJ070743	PTLLKYY 	C45H68N8O11	896.5008	NA	PeJP	NA	NA
+PJ070744	PPLQMRR 	C38H68N14O9S	896.5015	NA	PeJP	NA	NA
+PJ070745	LKKHWW 	C46H64N12O7	896.5021	NA	PeJP	NA	NA
+PJ070746	PPVVLLEM 	C42H72N8O11S	896.5042	NA	PeJP	NA	NA
+PJ070747	ATTHRRR 	C35H64N18O10	896.5053	NA	PeJP	NA	NA
+PJ070748	TTTKKRY 	C39H68N12O12	896.508	NA	PeJP	NA	NA
+PJ070749	VVLHHHR 	C40H64N16O8	896.5093	NA	PeJP	NA	NA
+PJ070750	GPKHFRR 	C40H64N16O8	896.5094	NA	PeJP	NA	NA
+PJ070751	PPLKKEW 	C44H68N10O10	896.512	NA	PeJP	NA	NA
+PJ070752	PPCLRRR 	C37H68N16O8S	896.5127	NA	PeJP	NA	NA
+C17548	Akeboside Ste	C47H76O16	896.5133	NA	KEGG	NA	NA
+MJ097134	12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097135	12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097136	13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097137	13,28-Epoxy-11-oleanene-3,23-diol, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097138	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097139	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097140	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-arabinopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097141	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097142	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097143	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097144	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097145	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097146	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C47H76O16	896.513336	NA	MeJP	NA	NA
+MJ097147	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O16	896.513336	NA	MeJP	NA	NA
+PJ070753	SLKKKMY 	C41H72N10O10S	896.5154	NA	PeJP	NA	NA
+PJ070754	PVLKFFF 	C49H68N8O8	896.5161	NA	PeJP	NA	NA
+PJ070755	PVLQERR 	C38H68N14O11	896.5192	NA	PeJP	NA	NA
+PJ070756	GGPLLERR 	C38H68N14O11	896.5193	NA	PeJP	NA	NA
+PJ070757	VLLKMFF 	C46H72N8O8S	896.5194	NA	PeJP	NA	NA
+PJ070758	APLLLLEE 	C42H72N8O13	896.5219	NA	PeJP	NA	NA
+PJ070759	PPTLKRW 	C43H68N12O9	896.5233	NA	PeJP	NA	NA
+PJ070760	GPPVLKMR 	C40H72N12O9S	896.5266	NA	PeJP	NA	NA
+PJ070761	APLERRR 	C37H68N16O10	896.5305	NA	PeJP	NA	NA
+PJ070762	STTILLLH 	C41H72N10O12	896.5331	NA	PeJP	NA	NA
+PJ070763	STTLLLLH 	C41H72N10O12	896.5332	NA	PeJP	NA	NA
+PJ070764	GPLLRRW 	C42H68N14O8	896.5345	NA	PeJP	NA	NA
+PJ070765	VVLLKYY 	C46H72N8O10	896.5372	NA	PeJP	NA	NA
+PJ070766	PPLKMRR 	C39H72N14O8S	896.5379	NA	PeJP	NA	NA
+PJ070767	PPTLLLLM 	C43H76N8O10S	896.5406	NA	PeJP	NA	NA
+PJ070768	GPQKRRR 	C36H68N18O9	896.5417	NA	PeJP	NA	NA
+PJ070769	AAPLLKER 	C40H72N12O11	896.5444	NA	PeJP	NA	NA
+PJ070770	PLLLQKW 	C45H72N10O9	896.5484	NA	PeJP	NA	NA
+MJ097148	Endusamycin; 27?-Methoxy 	C48H80O15	896.549721	NA	MeJP	NA	NA
+MJ097149	Eupha-7,24-diene-3,11,23-triol, 3,23-Di-O-?-L-rhamnopyranoside, 11-O-6-deoxy-?-D-galactopyranoside 	C48H80O15	896.549721	NA	MeJP	NA	NA
+PJ070771	APPLLKKM 	C42H76N10O9S	896.5518	NA	PeJP	NA	NA
+MJ097150	Ritterazine B; 12-Ketone 	C54H76N2O9	896.555082	NA	MeJP	NA	NA
+MJ097151	Ritterazine B; 14,15-Didehydro, 22-epimer 	C54H76N2O9	896.555082	NA	MeJP	NA	NA
+MJ097152	Ritterazine J; 7',17-Dideoxy 	C54H76N2O9	896.555082	NA	MeJP	NA	NA
+MJ097153	Ritterazine U 	C54H76N2O9	896.555082	NA	MeJP	NA	NA
+MJ097154	Ritterazine V 	C54H76N2O9	896.555082	NA	MeJP	NA	NA
+PJ070772	PVLKERR 	C39H72N14O10	896.5556	NA	PeJP	NA	NA
+PJ070773	SPLLLLLE 	C43H76N8O12	896.5583	NA	PeJP	NA	NA
+PJ070774	PVVLKRW 	C44H72N12O8	896.5597	NA	PeJP	NA	NA
+PJ070775	LLKKKMH 	C41H76N12O8S	896.563	NA	PeJP	NA	NA
+PJ070776	SPLLRRR 	C38H72N16O9	896.5669	NA	PeJP	NA	NA
+PJ070777	APVLLKKE 	C42H76N10O11	896.5695	NA	PeJP	NA	NA
+MJ097155	Antibiotic LI-F; Antibiotic LI-F04B 	C42H76N10O11	896.569503	NA	MeJP	NA	NA
+MJ097156	Antibiotic LI-F; Antibiotic LI-F05A 	C42H76N10O11	896.569503	NA	MeJP	NA	NA
+MJ097157	Antibiotic LI-F; Antibiotic LI-F06A 	C42H76N10O11	896.569503	NA	MeJP	NA	NA
+PJ070778	GPLLLKKE 	C42H76N10O11	896.5696	NA	PeJP	NA	NA
+PJ070779	PPVVLLLF 	C47H76N8O9	896.5736	NA	PeJP	NA	NA
+PJ070780	PVVLLLLM 	C44H80N8O9S	896.5769	NA	PeJP	NA	NA
+PJ070781	GPKKRRR 	C37H72N18O8	896.5781	NA	PeJP	NA	NA
+PJ070782	GPTLLLKR 	C41H76N12O10	896.5808	NA	PeJP	NA	NA
+PJ070783	PLLLKKW 	C46H76N10O8	896.5848	NA	PeJP	NA	NA
+PJ070784	VLLLQRR 	C40H76N14O9	896.592	NA	PeJP	NA	NA
+PJ070785	ALLLLLLE 	C44H80N8O11	896.5947	NA	PeJP	NA	NA
+PJ070786	VVVLRRR 	C39H76N16O8	896.6032	NA	PeJP	NA	NA
+PJ070787	ALLLRRR 	C39H76N16O8	896.6033	NA	PeJP	NA	NA
+PJ070788	SPVLLLKK 	C43H80N10O10	896.6059	NA	PeJP	NA	NA
+PJ070789	AALLLLKR 	C42H80N12O9	896.6172	NA	PeJP	NA	NA
+PJ070790	VLLLKRR 	C41H80N14O8	896.6284	NA	PeJP	NA	NA
+PJ070791	SLLLLLLL 	C45H84N8O10	896.6311	NA	PeJP	NA	NA
+PJ070792	GLLLLLKK 	C44H84N10O9	896.6423	NA	PeJP	NA	NA
+3935	aurein 3,1	GLFDIVKKIAGHIAGGSI~	897.01745	MH2+	Inhouse_peptide	NA	peptide
+C00904	Citramalyl-CoA	C26H42N7O20P3S	897.1418	NA	KEGG	NA	NA
+C01011	(3S)-Citramalyl-CoA	C26H42N7O20P3S	897.1418	NA	KEGG	NA	NA
+C03058	2-Hydroxyglutaryl-CoA	C26H42N7O20P3S	897.1418	NA	KEGG	NA	NA
+C06027	L-erythro-3-Methylmalyl-CoA	C26H42N7O20P3S	897.1418	NA	KEGG	NA	NA
+MJ097158	(3S)-Citramalyl-CoA 	C26H42N7O20P3S	897.141817	NA	MeJP	NA	NA
+MJ097159	2-Hydroxyglutaryl-CoA 	C26H42N7O20P3S	897.141817	NA	MeJP	NA	NA
+MetaCyc04269	(3S)-Citramalyl-CoA [L-Citramalyl-CoA;]	C26H42N7O20P3S1	897.141817	NA	metacyc	NA	NA
+MetaCyc04270	citramalyl-CoA []	C26H42N7O20P3S1	897.141817	NA	metacyc	NA	NA
+MetaCyc04271	(R)-2-hydroxyglutaryl-CoA [2-hydroxyglutaryl-CoA;]	C26H42N7O20P3S1	897.141817	NA	metacyc	NA	NA
+HMDB06345	L-Citramalyl-CoA	C26H42N7O20P3S	897.141846	NA	HMDB2010	NA	NA
+HMDB06345	L-Citramalyl-CoA	C26H42N7O20P3S	897.14185	http://www.hmdb.ca/metabolites/HMDB06345	HMDB	NA	NA
+HMDB06345	L-Citramalyl-CoA	C26H42N7O20P3S	897.14185	HMDB06345	PFEM_hmdb_metabocards_official	NA	NA
+PJ070793	GTCCCCCCC 	C27H47N9O11S7	897.144	NA	PeJP	NA	NA
+MJ097160	Cinnamoyl-CoA 	C30H42N7O17P3S	897.157073	NA	MeJP	NA	NA
+MetaCyc04272	cinnamyl-CoA []	C30H42N7O17P3S1	897.157073	NA	metacyc	NA	NA
+MetaCyc04273	(E)-cinnamoyl-CoA []	C30H42N7O17P3S1	897.157073	NA	metacyc	NA	NA
+C00540	Cinnamoyl-CoA	C30H42N7O17P3S	897.1571	NA	KEGG	NA	NA
+C16256	(E)-Cinnamoyl-CoA	C30H42N7O17P3S	897.1571	NA	KEGG	NA	NA
+PJ070794	SSSCCCCCC 	C27H47N9O13S6	897.1618	NA	PeJP	NA	NA
+PJ070795	CCCCCCNF 	C31H47N9O10S6	897.1771	NA	PeJP	NA	NA
+PJ070796	SCCCCCNY 	C31H47N9O12S5	897.1948	NA	PeJP	NA	NA
+PJ070797	SCCCCNEH 	C30H47N11O13S4	897.2238	NA	PeJP	NA	NA
+PJ070798	SCNDDDDD 	C30H43N9O21S	897.2295	NA	PeJP	NA	NA
+PJ070799	PCCCNDDE 	C31H47N9O16S3	897.2303	NA	PeJP	NA	NA
+PJ070800	CCCDEYY 	C36H47N7O14S3	897.2343	NA	PeJP	NA	NA
+PJ070801	GSCCCCHW 	C34H47N11O10S4	897.2391	NA	PeJP	NA	NA
+PJ070802	GSSSCCCDH 	C30H47N11O15S3	897.2416	NA	PeJP	NA	NA
+PJ070803	GCCCNMMH 	C31H51N11O10S5	897.2424	NA	PeJP	NA	NA
+PJ070804	GPCCCDDW 	C35H47N9O13S3	897.2456	NA	PeJP	NA	NA
+MJ097161	Simocyclinone D4 	C46H43NO18	897.248013	NA	MeJP	NA	NA
+PJ070805	GCNDDDEM 	C31H47N9O18S2	897.2481	NA	PeJP	NA	NA
+PJ070806	GSPPCCCCE 	C32H51N9O13S4	897.249	NA	PeJP	NA	NA
+PJ070807	CCCNNNNN 	C29H47N13O14S3	897.2528	NA	PeJP	NA	NA
+PJ070808	CCCEMFY 	C37H51N7O11S4	897.253	NA	PeJP	NA	NA
+PJ070809	ACCCCCHR 	C30H51N13O9S5	897.2537	NA	PeJP	NA	NA
+PJ070810	GCCCNDHF 	C34H47N11O12S3	897.2568	NA	PeJP	NA	NA
+PJ070811	GCCDDDDR 	C30H47N11O17S2	897.2593	NA	PeJP	NA	NA
+PJ070812	SSCCCQMH 	C31H51N11O12S4	897.2602	NA	PeJP	NA	NA
+PJ070813	CNDDDMW 	C35H47N9O15S2	897.2633	NA	PeJP	NA	NA
+PJ070814	GGCDDDMW 	C35H47N9O15S2	897.2634	NA	PeJP	NA	NA
+PJ070815	SPPCCCCW 	C36H51N9O10S4	897.2642	NA	PeJP	NA	NA
+PJ070816	SSNDDDDM 	C31H47N9O20S	897.2658	NA	PeJP	NA	NA
+PJ070817	GGSSDDDDM 	C31H47N9O20S	897.2659	NA	PeJP	NA	NA
+PJ070818	SPCCNDEM 	C32H51N9O15S3	897.2667	NA	PeJP	NA	NA
+PJ070819	CDMMMMH 	C33H55N9O10S5	897.2676	NA	PeJP	NA	NA
+PJ070820	SCCEMYY 	C37H51N7O13S3	897.2707	NA	PeJP	NA	NA
+PJ070821	SSCCCCHR 	C30H51N13O11S4	897.2714	NA	PeJP	NA	NA
+PJ070822	DDEEEMM 	C33H51N7O18S2	897.2732	NA	PeJP	NA	NA
+PJ070823	GSCCNNDW 	C34H47N11O14S2	897.2746	NA	PeJP	NA	NA
+PJ070824	GSSSCNNDD 	C30H47N11O19S	897.2771	NA	PeJP	NA	NA
+PJ070825	GSSSSCCMH 	C31H51N11O14S3	897.2779	NA	PeJP	NA	NA
+PJ070826	SPCCCDDR 	C31H51N11O14S3	897.278	NA	PeJP	NA	NA
+PJ070827	GCCDEWW 	C39H47N9O12S2	897.2786	NA	PeJP	NA	NA
+PJ070828	ACCCCKMH 	C32H55N11O9S5	897.2788	NA	PeJP	NA	NA
+PJ070829	GSSCDDEW 	C35H47N9O17S	897.2811	NA	PeJP	NA	NA
+PJ070830	GSPCCDMW 	C36H51N9O12S3	897.282	NA	PeJP	NA	NA
+PJ070831	GSSSSDDDE 	C31H47N9O22	897.2836	NA	PeJP	NA	NA
+PJ070832	GSNDDEMM 	C32H51N9O17S2	897.2845	NA	PeJP	NA	NA
+PJ070833	GCDDYYY 	C40H47N7O15S	897.2851	NA	PeJP	NA	NA
+PJ070834	GPCNDMMM 	C33H55N9O12S4	897.2853	NA	PeJP	NA	NA
+PJ070835	GGAPCCEMM 	C33H55N9O12S4	897.2854	NA	PeJP	NA	NA
+PJ070836	PCCCFYY 	C41H51N7O10S3	897.286	NA	PeJP	NA	NA
+PJ070837	CCMMHHH 	C34H51N13O8S4	897.2867	NA	PeJP	NA	NA
+PJ070838	DDDEEEF 	C36H47N7O20	897.2876	NA	PeJP	NA	NA
+PJ070839	GCCCNNER 	C30H51N13O13S3	897.2892	NA	PeJP	NA	NA
+PJ070840	GCMMMYY 	C38H55N7O10S4	897.2894	NA	PeJP	NA	NA
+PJ070841	GCNNNDDF 	C34H47N11O16S	897.2923	NA	PeJP	NA	NA
+PJ070842	GGGGGCNDDF 	C34H47N11O16S	897.2924	NA	PeJP	NA	NA
+PJ070843	CCNNQMW 	C35H51N11O11S3	897.2932	NA	PeJP	NA	NA
+PJ070844	CCDWWW 	C43H47N9O9S2	897.2939	NA	PeJP	NA	NA
+PJ070845	GSCDDDMR 	C31H51N11O16S2	897.2957	NA	PeJP	NA	NA
+PJ070846	SSCDDWW 	C39H47N9O14S	897.2963	NA	PeJP	NA	NA
+PJ070847	CDDDHFF 	C39H47N9O14S	897.2964	NA	PeJP	NA	NA
+PJ070848	GPCCCEMR 	C32H55N11O11S4	897.2966	NA	PeJP	NA	NA
+PJ070849	GCCNNNHH 	C32H47N15O12S2	897.297	NA	PeJP	NA	NA
+PJ070850	GGGCCNNHH 	C32H47N15O12S2	897.2971	NA	PeJP	NA	NA
+PJ070851	PTCCCWW 	C40H51N9O9S3	897.2972	NA	PeJP	NA	NA
+PJ070852	SSSSDDDW 	C35H47N9O19	897.2988	NA	PeJP	NA	NA
+PJ070853	GGNDDEEY 	C35H47N9O19	897.2989	NA	PeJP	NA	NA
+PJ070854	SNDDMMW 	C36H51N9O14S2	897.2997	NA	PeJP	NA	NA
+PJ070855	PCCQMMW 	C37H55N9O9S4	897.3006	NA	PeJP	NA	NA
+PJ070856	CCDHHHF 	C37H47N13O10S2	897.3011	NA	PeJP	NA	NA
+PJ070857	SSSNDEEM 	C32H51N9O19S	897.3022	NA	PeJP	NA	NA
+PJ070858	NNEEMMM 	C33H55N9O14S3	897.3031	NA	PeJP	NA	NA
+PJ070859	GSCNDEHH 	C33H47N13O15S	897.3036	NA	PeJP	NA	NA
+PJ070860	SPCCYYY 	C41H51N7O12S2	897.3037	NA	PeJP	NA	NA
+PJ070861	SMMMMMH 	C34H59N9O9S5	897.304	NA	PeJP	NA	NA
+PJ070862	CCCNNRW 	C34H51N13O10S3	897.3044	NA	PeJP	NA	NA
+PJ070863	GGGGCCCRW 	C34H51N13O10S3	897.3045	NA	PeJP	NA	NA
+PJ070864	PDDEEMY 	C37H51N7O17S	897.3063	NA	PeJP	NA	NA
+PJ070865	SSCCNNDR 	C30H51N13O15S2	897.3069	NA	PeJP	NA	NA
+PJ070866	GGGGSSCCDR 	C30H51N13O15S2	897.307	NA	PeJP	NA	NA
+PJ070867	STCMMYY 	C38H55N7O12S3	897.3071	NA	PeJP	NA	NA
+PJ070868	TEEEEMM 	C34H55N7O17S2	897.3096	NA	PeJP	NA	NA
+PJ070869	GSNNNDDY 	C34H47N11O18	897.3101	NA	PeJP	NA	NA
+PJ070870	PEEMMMM 	C35H59N7O12S4	897.3105	NA	PeJP	NA	NA
+PJ070871	SCCDERW 	C35H51N11O13S2	897.311	NA	PeJP	NA	NA
+PJ070872	PCCCMRW 	C36H55N11O8S4	897.3118	NA	PeJP	NA	NA
+PJ070873	ASSSSCNNE 	C31H51N11O18S	897.3134	NA	PeJP	NA	NA
+PJ070874	SSSCDDER 	C31H51N11O18S	897.3135	NA	PeJP	NA	NA
+PJ070875	GNDDEYW 	C39H47N9O16	897.3141	NA	PeJP	NA	NA
+PJ070876	CNDEMMR 	C32H55N11O13S3	897.3143	NA	PeJP	NA	NA
+PJ070877	GGGGGGGSMMM 	C32H55N11O13S3	897.3144	NA	PeJP	NA	NA
+PJ070878	GSCEMWW 	C40H51N9O11S2	897.315	NA	PeJP	NA	NA
+PJ070879	GSSSDEMW 	C36H51N9O16S	897.3175	NA	PeJP	NA	NA
+PJ070880	ANDMMMW 	C37H55N9O11S3	897.3183	NA	PeJP	NA	NA
+PJ070881	GNEMMMW 	C37H55N9O11S3	897.3184	NA	PeJP	NA	NA
+PJ070882	SCNDHHW 	C37H47N13O12S	897.3188	NA	PeJP	NA	NA
+PJ070883	GSSSSSEEE 	C32H51N9O21	897.32	NA	PeJP	NA	NA
+PJ070884	STCCLDQE 	C33H55N9O16S2	897.3208	NA	PeJP	NA	NA
+PJ070885	GSSQEEMM 	C33H55N9O16S2	897.3209	NA	PeJP	NA	NA
+PJ070886	SSSNDDHH 	C33H47N13O17	897.3213	NA	PeJP	NA	NA
+PJ070887	GSDMYYY 	C41H51N7O14S	897.3215	NA	PeJP	NA	NA
+PJ070888	GSPNMMMM 	C34H59N9O11S4	897.3217	NA	PeJP	NA	NA
+PJ070889	NNDMMHH 	C34H51N13O12S2	897.3222	NA	PeJP	NA	NA
+PJ070890	GCMMFFY 	C42H55N7O9S3	897.3224	NA	PeJP	NA	NA
+PJ070891	AEEEEEY 	C37H51N7O19	897.324	NA	PeJP	NA	NA
+PJ070892	PDEEMMF 	C38H55N7O14S2	897.3249	NA	PeJP	NA	NA
+PJ070893	PNDDDHW 	C38H47N11O15	897.3254	NA	PeJP	NA	NA
+PJ070894	CCDDMRR 	C31H55N13O12S3	897.3256	NA	PeJP	NA	NA
+PJ070895	CCNQHFF 	C39H51N11O10S2	897.3262	NA	PeJP	NA	NA
+PJ070896	VEEEMMM 	C35H59N7O14S3	897.3282	NA	PeJP	NA	NA
+PJ070897	LDEEMMM 	C35H59N7O14S3	897.3283	NA	PeJP	NA	NA
+PJ070898	SSSSCNQW 	C35H51N11O15S	897.3287	NA	PeJP	NA	NA
+PJ070899	NDDYWW 	C43H47N9O13	897.3294	NA	PeJP	NA	NA
+PJ070900	GCDMMRW 	C36H55N11O10S3	897.3296	NA	PeJP	NA	NA
+PJ070901	SCMWWW 	C44H51N9O8S2	897.3302	NA	PeJP	NA	NA
+PJ070902	SSSSSSNNE 	C31H51N11O20	897.3312	NA	PeJP	NA	NA
+PJ070903	GSSDDMMR 	C32H55N11O15S2	897.3321	NA	PeJP	NA	NA
+PJ070904	GNNNNNDH 	C32H47N15O16	897.3326	NA	PeJP	NA	NA
+PJ070905	SSSDMWW 	C40H51N9O13S	897.3327	NA	PeJP	NA	NA
+MJ097162	Mureidomycin A; N13-Glycyl 	C40H51N9O13S	897.332703	NA	MeJP	NA	NA
+PJ070906	GGGDEMFW 	C40H51N9O13S	897.3328	NA	PeJP	NA	NA
+PJ070907	GPTCCMMR 	C33H59N11O10S4	897.333	NA	PeJP	NA	NA
+PJ070908	CCNEHHR 	C33H51N15O11S2	897.3334	NA	PeJP	NA	NA
+PJ070909	NMMMWW 	C41H55N9O8S3	897.3336	NA	PeJP	NA	NA
+PJ070910	SSSSSEEW 	C36H51N9O18	897.3352	NA	PeJP	NA	NA
+PJ070911	GGGGTEEEY 	C36H51N9O18	897.3353	NA	PeJP	NA	NA
+PJ070912	SSQEMMW 	C37H55N9O13S2	897.3361	NA	PeJP	NA	NA
+PJ070913	NNDDHHF 	C37H47N13O14	897.3366	NA	PeJP	NA	NA
+PJ070914	TCYYYW 	C45H51N7O11S	897.3367	NA	PeJP	NA	NA
+PJ070915	GCDFFFY 	C45H51N7O11S	897.3368	NA	PeJP	NA	NA
+PJ070916	PCCKMMW 	C38H59N9O8S4	897.337	NA	PeJP	NA	NA
+PJ070917	ACNMHHW 	C38H51N13O9S2	897.3374	NA	PeJP	NA	NA
+PJ070918	GCQMHHW 	C38H51N13O9S2	897.3375	NA	PeJP	NA	NA
+PJ070919	SSSTQEEM 	C33H55N9O18S	897.3386	NA	PeJP	NA	NA
+PJ070920	SSSEYYY 	C41H51N7O16	897.3392	NA	PeJP	NA	NA
+PJ070921	PPDDEYY 	C41H51N7O16	897.3393	NA	PeJP	NA	NA
+PJ070922	NDKEMMM 	C34H59N9O13S3	897.3395	NA	PeJP	NA	NA
+PJ070923	CNNNDRY 	C34H51N13O14S	897.3399	NA	PeJP	NA	NA
+PJ070924	GGCNNDRY 	C34H51N13O14S	897.34	NA	PeJP	NA	NA
+PJ070925	QMMYYY 	C42H55N7O11S2	897.3401	NA	PeJP	NA	NA
+PJ070926	APCCCKHH 	C35H55N13O9S3	897.3408	NA	PeJP	NA	NA
+PJ070927	CNNHHHH 	C35H47N17O10S	897.3413	NA	PeJP	NA	NA
+MJ097163	Altromycin A; N3'-De-Me 	C45H55NO18	897.341913	NA	MeJP	NA	NA
+PJ070928	PTEEEMY 	C38H55N7O16S	897.3426	NA	PeJP	NA	NA
+PJ070929	SSSCNNMR 	C31H55N13O14S2	897.3433	NA	PeJP	NA	NA
+PJ070930	PPEMMMY 	C39H59N7O11S3	897.3435	NA	PeJP	NA	NA
+PJ070931	GNNNMYW 	C39H51N11O12S	897.344	NA	PeJP	NA	NA
+PJ070932	GSSSSSSNW 	C35H51N11O17	897.3465	NA	PeJP	NA	NA
+PJ070933	SSCEMRW 	C36H55N11O12S2	897.3473	NA	PeJP	NA	NA
+PJ070934	GGPCDMRY 	C36H55N11O12S2	897.3474	NA	PeJP	NA	NA
+PJ070935	SDEHHHH 	C36H47N15O13	897.3478	NA	PeJP	NA	NA
+PJ070936	GSPCYWW 	C44H51N9O10S	897.348	NA	PeJP	NA	NA
+PJ070937	GCCHHRW 	C37H51N15O8S2	897.3487	NA	PeJP	NA	NA
+PJ070938	SSSSDEMR 	C32H55N11O17S	897.3498	NA	PeJP	NA	NA
+PJ070939	GGGGGSSSTTM 	C32H55N11O17S	897.3499	NA	PeJP	NA	NA
+PJ070940	GSQEEYW 	C40H51N9O15	897.3505	NA	PeJP	NA	NA
+PJ070941	SNEMMMR 	C33H59N11O12S3	897.3507	NA	PeJP	NA	NA
+PJ070942	GSSCDHHR 	C33H51N15O13S	897.3512	NA	PeJP	NA	NA
+PJ070943	GSTMMWW 	C41H55N9O10S2	897.3514	NA	PeJP	NA	NA
+PJ070944	GSSTTEMW 	C37H55N9O15S	897.3539	NA	PeJP	NA	NA
+PJ070945	NEFYYY 	C45H51N7O13	897.3545	NA	PeJP	NA	NA
+PJ070946	GDKMMMW 	C38H59N9O10S3	897.3547	NA	PeJP	NA	NA
+PJ070947	GGGAPMMMF 	C38H59N9O10S3	897.3548	NA	PeJP	NA	NA
+PJ070948	SSNMHHW 	C38H51N13O11S	897.3552	NA	PeJP	NA	NA
+PJ070949	GCMFFFF 	C46H55N7O8S2	897.3554	NA	PeJP	NA	NA
+PJ070950	GSSSTTTEE 	C33H55N9O20	897.3564	NA	PeJP	NA	NA
+MJ097164	Taxol?; 10-De-Ac, 10-(3-hydroxybutanoyl) 	C49H55NO15	897.35717	NA	MeJP	NA	NA
+PJ070951	GSSKEEMM 	C34H59N9O15S2	897.3572	NA	PeJP	NA	NA
+PJ070952	GSPDDDHR 	C34H51N13O16	897.3577	NA	PeJP	NA	NA
+PJ070953	GGGGGGGGGGPPD 	C34H51N13O16	897.3578	NA	PeJP	NA	NA
+PJ070954	GTTMYYY 	C42H55N7O13S	897.3579	NA	PeJP	NA	NA
+PJ070955	VQQMMMM 	C35H63N9O10S4	897.3581	NA	PeJP	NA	NA
+PJ070956	CNNNMFR 	C35H55N13O11S2	897.3586	NA	PeJP	NA	NA
+PJ070957	SLEEEEY 	C38H55N7O18	897.3604	NA	PeJP	NA	NA
+PJ070958	GSSSSSCQR 	C31H55N13O16S	897.3611	NA	PeJP	NA	NA
+PJ070959	PVEEMMY 	C39H59N7O13S2	897.3613	NA	PeJP	NA	NA
+PJ070960	GSDDRYW 	C39H51N11O14	897.3617	NA	PeJP	NA	NA
+PJ070961	GGGGGGGGPYY 	C39H51N11O14	897.3618	NA	PeJP	NA	NA
+PJ070962	SCDMMRR 	C32H59N13O11S3	897.362	NA	PeJP	NA	NA
+PJ070963	APCCRYW 	C40H55N11O9S2	897.3626	NA	PeJP	NA	NA
+PJ070964	ACFWWW 	C48H51N9O7S	897.3632	NA	PeJP	NA	NA
+PJ070965	SSSSCNKW 	C36H55N11O14S	897.3651	NA	PeJP	NA	NA
+PJ070966	SQEYWW 	C44H51N9O12	897.3657	NA	PeJP	NA	NA
+PJ070967	GGTEYWW 	C44H51N9O12	897.3658	NA	PeJP	NA	NA
+PJ070968	GSMMMRW 	C37H59N11O9S3	897.366	NA	PeJP	NA	NA
+PJ070969	AEMHHHH 	C37H51N15O10S	897.3664	NA	PeJP	NA	NA
+PJ070970	VCEHHHH 	C37H51N15O10S	897.3665	NA	PeJP	NA	NA
+PJ070971	MMHFFW 	C45H55N9O7S2	897.3666	NA	PeJP	NA	NA
+PJ070972	SSSSSSNDK 	C32H55N11O19	897.3676	NA	PeJP	NA	NA
+PJ070973	GSSTEMMR 	C33H59N11O14S2	897.3685	NA	PeJP	NA	NA
+PJ070974	NNNDEHR 	C33H51N15O15	897.3689	NA	PeJP	NA	NA
+PJ070975	GGNNDEHR 	C33H51N15O15	897.369	NA	PeJP	NA	NA
+MJ097165	Callatostatin 5; 3-(trans-4-Hydroxy-L-proline) analogue 	C41H55N9O12S	897.369088	NA	MeJP	NA	NA
+PJ070976	SSTTMWW 	C41H55N9O12S	897.3691	NA	PeJP	NA	NA
+PJ070977	AQMMMMR 	C34H63N11O9S4	897.3693	NA	PeJP	NA	NA
+PJ070978	GAAMMMMR 	C34H63N11O9S4	897.3694	NA	PeJP	NA	NA
+PJ070979	GFYYYW 	C49H51N7O10	897.3698	NA	PeJP	NA	NA
+PJ070980	ACHHHFF 	C42H51N13O8S	897.3705	NA	PeJP	NA	NA
+PJ070981	SSSTTTEW 	C37H55N9O17	897.3716	NA	PeJP	NA	NA
+PJ070982	SSKEMMW 	C38H59N9O12S2	897.3725	NA	PeJP	NA	NA
+PJ070983	GSSSTHHW 	C38H51N13O13	897.373	NA	PeJP	NA	NA
+PJ070984	QMFFYY 	C46H55N7O10S	897.3731	NA	PeJP	NA	NA
+PJ070985	PPCCHRW 	C39H55N13O8S2	897.3738	NA	PeJP	NA	NA
+PJ070986	SSSTKEEM 	C34H59N9O17S	897.375	NA	PeJP	NA	NA
+PJ070987	STTTYYY 	C42H55N7O15	897.3756	NA	PeJP	NA	NA
+PJ070988	PVDEEFY 	C42H55N7O15	897.3757	NA	PeJP	NA	NA
+PJ070989	TQKEMMM 	C35H63N9O12S3	897.3759	NA	PeJP	NA	NA
+PJ070990	GCDERRY 	C35H55N13O13S	897.3763	NA	PeJP	NA	NA
+PJ070991	GGGGGGSMRY 	C35H55N13O13S	897.3764	NA	PeJP	NA	NA
+PJ070992	KMMYYY 	C43H59N7O10S2	897.3765	NA	PeJP	NA	NA
+PJ070993	GSPEHWW 	C43H51N11O11	897.377	NA	PeJP	NA	NA
+PJ070994	SSSSSSSNR 	C31H55N13O18	897.3788	NA	PeJP	NA	NA
+PJ070995	VVEEEMY 	C39H59N7O15S	897.379	NA	PeJP	NA	NA
+PJ070996	SSSCCQKR 	C32H59N13O13S2	897.3797	NA	PeJP	NA	NA
+PJ070997	PLEMMMF 	C40H63N7O10S3	897.3799	NA	PeJP	NA	NA
+PJ070998	NEMRYW 	C40H55N11O11S	897.3804	NA	PeJP	NA	NA
+PJ070999	ACMMMRR 	C33H63N13O8S4	897.3806	NA	PeJP	NA	NA
+PJ071000	GTYWWW 	C48H51N9O9	897.381	NA	PeJP	NA	NA
+PJ071001	SCCHHRR 	C33H55N17O9S2	897.3811	NA	PeJP	NA	NA
+PJ071002	SSQEERY 	C36H55N11O16	897.3828	NA	PeJP	NA	NA
+PJ071003	GGSTEERY 	C36H55N11O16	897.3829	NA	PeJP	NA	NA
+PJ071004	LLEMMMM 	C37H67N7O10S4	897.3833	NA	PeJP	NA	NA
+PJ071005	SSTMMRW 	C37H59N11O11S2	897.3837	NA	PeJP	NA	NA
+PJ071006	GGGGGGKMMF 	C37H59N11O11S2	897.3838	NA	PeJP	NA	NA
+PJ071007	GNNDHRW 	C37H51N15O12	897.3842	NA	PeJP	NA	NA
+PJ071008	VNMYWW 	C45H55N9O9S	897.3844	NA	PeJP	NA	NA
+PJ071009	GHHHHHH 	C38H47N19O8	897.3856	NA	PeJP	NA	NA
+PJ071010	SSSTTEMR 	C33H59N11O16S	897.3862	NA	PeJP	NA	NA
+MJ097166	Citrusin IV 	C41H55N9O14	897.386847	NA	MeJP	NA	NA
+PJ071011	GSKEEYW 	C41H55N9O14	897.3869	NA	PeJP	NA	NA
+PJ071012	SDKMMMR 	C34H63N11O11S3	897.3871	NA	PeJP	NA	NA
+PJ071013	PCDDHRR 	C34H55N15O12S	897.3876	NA	PeJP	NA	NA
+PJ071014	APCKMYW 	C42H59N9O9S2	897.3877	NA	PeJP	NA	NA
+PJ071015	PVCCKYW 	C42H59N9O9S2	897.3878	NA	PeJP	NA	NA
+PJ071016	NQQHWW 	C42H51N13O10	897.3882	NA	PeJP	NA	NA
+PJ071017	SSSSTLMW 	C38H59N9O14S	897.3902	NA	PeJP	NA	NA
+PJ071018	AQKEEMY 	C38H59N9O14S	897.3903	NA	PeJP	NA	NA
+PJ071019	VQYYYY 	C46H55N7O12	897.3909	NA	PeJP	NA	NA
+PJ071020	ATKMMMW 	C39H63N9O9S3	897.3911	NA	PeJP	NA	NA
+PJ071021	CDRRYW 	C39H55N13O10S	897.3916	NA	PeJP	NA	NA
+PJ071022	SPHWWW 	C47H51N11O8	897.3922	NA	PeJP	NA	NA
+PJ071023	SSSSSTTLE 	C34H59N9O19	897.3927	NA	PeJP	NA	NA
+PJ071024	GTTTKEMM 	C35H63N9O14S2	897.3936	NA	PeJP	NA	NA
+PJ071025	SSDDRRY 	C35H55N13O15	897.3941	NA	PeJP	NA	NA
+PJ071026	PPVEMYY 	C43H59N7O12S	897.3943	NA	PeJP	NA	NA
+PJ071027	VQKMMMM 	C36H67N9O9S4	897.3945	NA	PeJP	NA	NA
+PJ071028	PTCCRRY 	C36H59N13O10S2	897.395	NA	PeJP	NA	NA
+PJ071029	GMRYWW 	C44H55N11O8S	897.3956	NA	PeJP	NA	NA
+PJ071030	GSSSSSCKR 	C32H59N13O15S	897.3975	NA	PeJP	NA	NA
+PJ071031	VLEEMMF 	C40H63N7O12S2	897.3976	NA	PeJP	NA	NA
+PJ071032	GSTERYW 	C40H55N11O13	897.3981	NA	PeJP	NA	NA
+PJ071033	SSMMMRR 	C33H63N13O10S3	897.3983	NA	PeJP	NA	NA
+PJ071034	QMMFRW 	C41H59N11O8S2	897.399	NA	PeJP	NA	NA
+PJ071035	GPQHHHW 	C41H51N15O9	897.3995	NA	PeJP	NA	NA
+PJ071036	GDKEMRY 	C37H59N11O13S	897.4015	NA	PeJP	NA	NA
+PJ071037	SKEYWW 	C45H55N9O11	897.4021	NA	PeJP	NA	NA
+PJ071038	GGGVEFFW 	C45H55N9O11	897.4022	NA	PeJP	NA	NA
+PJ071039	CCCKKKW 	C38H63N11O8S3	897.4024	NA	PeJP	NA	NA
+PJ071040	GNMHHFR 	C38H55N15O9S	897.4028	NA	PeJP	NA	NA
+PJ071041	SSSSSSTQK 	C33H59N11O18	897.404	NA	PeJP	NA	NA
+PJ071042	SSSSLMMR 	C34H63N11O13S2	897.4048	NA	PeJP	NA	NA
+PJ071043	GTTTTMMR 	C34H63N11O13S2	897.4049	NA	PeJP	NA	NA
+PJ071044	GDEEHRR 	C34H55N15O14	897.4053	NA	PeJP	NA	NA
+PJ071045	GGGGGATEHR 	C34H55N15O14	897.4054	NA	PeJP	NA	NA
+PJ071046	AAKEMYW 	C42H59N9O11S	897.4055	NA	PeJP	NA	NA
+PJ071047	AKMMMMR 	C35H67N11O8S4	897.4057	NA	PeJP	NA	NA
+PJ071048	QFFFFY 	C50H55N7O9	897.4062	NA	PeJP	NA	NA
+PJ071049	STTTTTTW 	C38H59N9O16	897.408	NA	PeJP	NA	NA
+PJ071050	TTTKMMW 	C39H63N9O11S2	897.4089	NA	PeJP	NA	NA
+PJ071051	SSPEHRW 	C39H55N13O12	897.4093	NA	PeJP	NA	NA
+PJ071052	AAEEHRW 	C39H55N13O12	897.4094	NA	PeJP	NA	NA
+PJ071053	KMFFYY 	C47H59N7O9S	897.4095	NA	PeJP	NA	NA
+PJ071054	CMFRRW 	C40H59N13O7S2	897.4102	NA	PeJP	NA	NA
+PJ071055	PPHHHHH 	C40H51N17O8	897.4107	NA	PeJP	NA	NA
+PJ071056	STTTTKEM 	C35H63N9O16S	897.4114	NA	PeJP	NA	NA
+PJ071057	PVVEEYY 	C43H59N7O14	897.412	NA	PeJP	NA	NA
+PJ071058	TKKEMMM 	C36H67N9O11S3	897.4122	NA	PeJP	NA	NA
+PJ071059	GSTLKMMM 	C36H67N9O11S3	897.4123	NA	PeJP	NA	NA
+PJ071060	GSEMRRY 	C36H59N13O12S	897.4127	NA	PeJP	NA	NA
+PJ071061	GGGGGGGVLMH 	C36H59N13O12S	897.4128	NA	PeJP	NA	NA
+PJ071062	PPLMMFY 	C44H63N7O9S2	897.4129	NA	PeJP	NA	NA
+PJ071063	STRYWW 	C44H55N11O10	897.4134	NA	PeJP	NA	NA
+PJ071064	TLLEEMY 	C40H63N7O14S	897.4154	NA	PeJP	NA	NA
+PJ071065	SSSCCKKR 	C33H63N13O12S2	897.4161	NA	PeJP	NA	NA
+PJ071066	PLLMMMY 	C41H67N7O9S3	897.4163	NA	PeJP	NA	NA
+PJ071067	SNNDHRR 	C33H55N17O13	897.4166	NA	PeJP	NA	NA
+PJ071068	DKMRYW 	C41H59N11O10S	897.4167	NA	PeJP	NA	NA
+PJ071069	GGGCKKYW 	C41H59N11O10S	897.4168	NA	PeJP	NA	NA
+PJ071070	VNFFWW 	C49H55N9O8	897.4174	NA	PeJP	NA	NA
+PJ071071	SSKEERY 	C37H59N11O15	897.4192	NA	PeJP	NA	NA
+PJ071072	GGGSSDKKY 	C37H59N11O15	897.4193	NA	PeJP	NA	NA
+PJ071073	GLQMMRY 	C38H63N11O10S2	897.4201	NA	PeJP	NA	NA
+PJ071074	DEHRRW 	C38H55N15O11	897.4206	NA	PeJP	NA	NA
+PJ071075	CLKYWW 	C46H59N9O8S	897.4208	NA	PeJP	NA	NA
+PJ071076	STTTTTMR 	C34H63N11O15S	897.4226	NA	PeJP	NA	NA
+PJ071077	VTTTQYW 	C42H59N9O13	897.4232	NA	PeJP	NA	NA
+PJ071078	ATTKEYW 	C42H59N9O13	897.4233	NA	PeJP	NA	NA
+PJ071079	TTKMMMR 	C35H67N11O10S3	897.4235	NA	PeJP	NA	NA
+PJ071080	AQQQMHR 	C35H59N15O11S	897.4239	NA	PeJP	NA	NA
+PJ071081	SPDMHRR 	C35H59N15O11S	897.424	NA	PeJP	NA	NA
+PJ071082	GVKMMFW 	C43H63N9O8S2	897.4241	NA	PeJP	NA	NA
+PJ071083	VDHRWW 	C43H55N13O9	897.4246	NA	PeJP	NA	NA
+PJ071084	AKKEEMY 	C39H63N9O13S	897.4266	NA	PeJP	NA	NA
+PJ071085	APPPKEEM 	C39H63N9O13S	897.4267	NA	PeJP	NA	NA
+PJ071086	VKYYYY 	C47H59N7O11	897.4273	NA	PeJP	NA	NA
+PJ071087	SMRRYW 	C40H59N13O9S	897.428	NA	PeJP	NA	NA
+PJ071088	ALHWWW 	C48H55N11O7	897.4286	NA	PeJP	NA	NA
+PJ071089	SSSTTTTTL 	C35H63N9O18	897.4291	NA	PeJP	NA	NA
+PJ071090	SSTTLKMM 	C36H67N9O13S2	897.43	NA	PeJP	NA	NA
+PJ071091	SSTERRY 	C36H59N13O14	897.4305	NA	PeJP	NA	NA
+PJ071092	PVLEMFY 	C44H63N7O11S	897.4307	NA	PeJP	NA	NA
+PJ071093	VKKMMMM 	C37H71N9O8S4	897.4309	NA	PeJP	NA	NA
+PJ071094	AVCMRRY 	C37H63N13O9S2	897.4313	NA	PeJP	NA	NA
+PJ071095	AAMMRRY 	C37H63N13O9S2	897.4314	NA	PeJP	NA	NA
+PJ071096	SPQHHHR 	C37H55N17O10	897.4318	NA	PeJP	NA	NA
+PJ071097	VLLEMMY 	C41H67N7O11S2	897.434	NA	PeJP	NA	NA
+PJ071098	SSSLRYW 	C41H59N11O12	897.4345	NA	PeJP	NA	NA
+PJ071099	GNQMHRR 	C34H59N17O10S	897.4352	NA	PeJP	NA	NA
+PJ071100	KMMFRW 	C42H63N11O7S2	897.4354	NA	PeJP	NA	NA
+PJ071101	GPKHHHW 	C42H55N15O8	897.4359	NA	PeJP	NA	NA
+PJ071102	ATKEMRY 	C38H63N11O12S	897.4379	NA	PeJP	NA	NA
+PJ071103	APPLEWW 	C46H59N9O10	897.4385	NA	PeJP	NA	NA
+PJ071104	ACKHHFR 	C39H59N15O8S	897.4392	NA	PeJP	NA	NA
+PJ071105	SSSSSSTKK 	C34H63N11O17	897.4404	NA	PeJP	NA	NA
+PJ071106	SSSCKKKM 	C35H67N11O12S2	897.4412	NA	PeJP	NA	NA
+PJ071107	ATEEHRR 	C35H59N15O13	897.4417	NA	PeJP	NA	NA
+PJ071108	GGGGGGGGGPLR 	C35H59N15O13	897.4418	NA	PeJP	NA	NA
+PJ071109	GTLKMYW 	C43H63N9O10S	897.4419	NA	PeJP	NA	NA
+PJ071110	KFFFFY 	C51H59N7O8	897.4425	NA	PeJP	NA	NA
+PJ071111	APMMHRR 	C36H63N15O8S2	897.4426	NA	PeJP	NA	NA
+PJ071112	TTKKEEY 	C39H63N9O15	897.4444	NA	PeJP	NA	NA
+PJ071113	PTKKMMY 	C40H67N9O10S2	897.4453	NA	PeJP	NA	NA
+PJ071114	GTLEHRW 	C40H59N13O11	897.4457	NA	PeJP	NA	NA
+PJ071115	GGAASPPRW 	C40H59N13O11	897.4458	NA	PeJP	NA	NA
+PJ071116	PPLMFFF 	C48H63N7O8S	897.4459	NA	PeJP	NA	NA
+PJ071117	GCNHRRR 	C33H59N19O9S	897.4464	NA	PeJP	NA	NA
+PJ071118	PTLLEYY 	C44H63N7O13	897.4484	NA	PeJP	NA	NA
+PJ071119	ATTMRRY 	C37H63N13O11S	897.4491	NA	PeJP	NA	NA
+PJ071120	PLLMMFF 	C45H67N7O8S2	897.4493	NA	PeJP	NA	NA
+PJ071121	LKEHWW 	C45H59N11O9	897.4498	NA	PeJP	NA	NA
+PJ071122	LLLMMMF 	C42H71N7O8S3	897.4527	NA	PeJP	NA	NA
+PJ071123	SSQQHRR 	C34H59N17O12	897.4529	NA	PeJP	NA	NA
+PJ071124	GGSTQHRR 	C34H59N17O12	897.453	NA	PeJP	NA	NA
+PJ071125	SPLKMHW 	C42H63N11O9S	897.4531	NA	PeJP	NA	NA
+PJ071126	TTTKERY 	C38H63N11O14	897.4556	NA	PeJP	NA	NA
+PJ071127	GGAPPDKKE 	C38H63N11O14	897.4557	NA	PeJP	NA	NA
+PJ071128	GLKMMRY 	C39H67N11O9S2	897.4565	NA	PeJP	NA	NA
+PJ071129	GSQKHRW 	C39H59N15O10	897.457	NA	PeJP	NA	NA
+PJ071130	STTLKYW 	C43H63N9O12	897.4596	NA	PeJP	NA	NA
+PJ071131	PPLKEEW 	C43H63N9O12	897.4597	NA	PeJP	NA	NA
+PJ071132	PTTMHRR 	C36H63N15O10S	897.4603	NA	PeJP	NA	NA
+PJ071133	GLEMHRR 	C36H63N15O10S	897.4604	NA	PeJP	NA	NA
+PJ071134	TLHRWW 	C44H59N13O8	897.461	NA	PeJP	NA	NA
+PJ071135	SLKKEMY 	C40H67N9O12S	897.463	NA	PeJP	NA	NA
+PJ071136	PPVLFYY 	C48H63N7O10	897.4637	NA	PeJP	NA	NA
+PJ071137	GVLMHRW 	C41H63N13O8S	897.4644	NA	PeJP	NA	NA
+PJ071138	TTTTRRY 	C37H63N13O13	897.4669	NA	PeJP	NA	NA
+PJ071139	PVLLMYY 	C45H67N7O10S	897.467	NA	PeJP	NA	NA
+PJ071140	VLLEMFF 	C45H67N7O10S	897.4671	NA	PeJP	NA	NA
+PJ071141	PVKMMHR 	C38H67N13O8S2	897.4677	NA	PeJP	NA	NA
+PJ071142	SPKHHHR 	C38H59N17O9	897.4682	NA	PeJP	NA	NA
+PJ071143	PPTLERW 	C42H63N11O11	897.4709	NA	PeJP	NA	NA
+PJ071144	PPCNRRR 	C35H63N17O9S	897.4716	NA	PeJP	NA	NA
+MJ097167	Miokamycin 	C45H71NO17	897.472199	NA	MeJP	NA	NA
+PJ071145	PHFRRW 	C43H59N15O7	897.4722	NA	PeJP	NA	NA
+PJ071146	STLKMRY 	C39H67N11O11S	897.4742	NA	PeJP	NA	NA
+PJ071147	VTTKMRY 	C39H67N11O11S	897.4743	NA	PeJP	NA	NA
+MJ097168	Shearamide A 	C47H63N9O9	897.474874	NA	MeJP	NA	NA
+PJ071148	SPPLLWW 	C47H63N9O9	897.4749	NA	PeJP	NA	NA
+PJ071149	LMHRRW 	C40H63N15O7S	897.4756	NA	PeJP	NA	NA
+PJ071150	STLEHRR 	C36H63N15O12	897.4781	NA	PeJP	NA	NA
+PJ071151	AAPPLLMW 	C44H67N9O9S	897.4783	NA	PeJP	NA	NA
+PJ071152	GVHHHRR 	C37H59N19O8	897.4795	NA	PeJP	NA	NA
+PJ071153	SSSTLLKY 	C40H67N9O14	897.4808	NA	PeJP	NA	NA
+PJ071154	VVKKMMY 	C41H71N9O9S2	897.4817	NA	PeJP	NA	NA
+PJ071155	SSLLHRW 	C41H63N13O10	897.4821	NA	PeJP	NA	NA
+PJ071156	VVLLEYY 	C45H67N7O12	897.4848	NA	PeJP	NA	NA
+PJ071157	PPLEMRR 	C38H67N13O10S	897.4855	NA	PeJP	NA	NA
+PJ071158	VKFRYW 	C46H63N11O8	897.4861	NA	PeJP	NA	NA
+PJ071159	GPPKKWW 	C46H63N11O8	897.4862	NA	PeJP	NA	NA
+PJ071160	GPQERRR 	C35H63N17O11	897.4893	NA	PeJP	NA	NA
+PJ071161	GGAPERRR 	C35H63N17O11	897.4894	NA	PeJP	NA	NA
+PJ071162	PPVLMRW 	C43H67N11O8S	897.4895	NA	PeJP	NA	NA
+PJ071163	HHHRRR 	C36H59N21O7	897.4907	NA	PeJP	NA	NA
+PJ071164	GSSTKKKY 	C39H67N11O13	897.492	NA	PeJP	NA	NA
+PJ071165	GPVQRRW 	C40H63N15O9	897.4934	NA	PeJP	NA	NA
+PJ071166	PLLLQEW 	C44H67N9O11	897.496	NA	PeJP	NA	NA
+PJ071167	GAPLLLEW 	C44H67N9O11	897.4961	NA	PeJP	NA	NA
+PJ071168	SVLMHRR 	C37H67N15O9S	897.4967	NA	PeJP	NA	NA
+PJ071169	APPLLKEM 	C41H71N9O11S	897.4994	NA	PeJP	NA	NA
+PJ071170	PVLLFFY 	C49H67N7O9	897.5001	NA	PeJP	NA	NA
+PJ071171	PLQQKER 	C38H67N13O12	897.5032	NA	PeJP	NA	NA
+PJ071172	PVLEERR 	C38H67N13O12	897.5033	NA	PeJP	NA	NA
+PJ071173	VLLLMFY 	C46H71N7O9S	897.5034	NA	PeJP	NA	NA
+PJ071174	PQRRRW 	C39H63N17O8	897.5046	NA	PeJP	NA	NA
+PJ071175	PVVLERW 	C43H67N11O10	897.5073	NA	PeJP	NA	NA
+PJ071176	ACKKHRR 	C36H67N17O8S	897.508	NA	PeJP	NA	NA
+5473	aurein 3,1	GLFDIVKKIAGHIAGSIG	897.50945	MH2+	Inhouse_peptide	NA	peptide
+PJ071177	TCKKKKY 	C40H71N11O10S	897.5106	NA	PeJP	NA	NA
+PJ071178	APPTLLMR 	C40H71N11O10S	897.5107	NA	PeJP	NA	NA
+PJ071179	APLLLWW 	C48H67N9O8	897.5113	NA	PeJP	NA	NA
+PJ071180	PVNKERR 	C37H67N15O11	897.5145	NA	PeJP	NA	NA
+PJ071181	VVKKMFF 	C45H71N9O8S	897.5147	NA	PeJP	NA	NA
+PJ071182	GPLLLKEE 	C41H71N9O13	897.5172	NA	PeJP	NA	NA
+PJ071183	SPPKKRW 	C42H67N13O9	897.5185	NA	PeJP	NA	NA
+PJ071184	TLLLLYY 	C46H71N7O11	897.5212	NA	PeJP	NA	NA
+PJ071185	TLLKMHR 	C39H71N13O9S	897.5219	NA	PeJP	NA	NA
+PJ071186	GPKERRR 	C36H67N17O10	897.5257	NA	PeJP	NA	NA
+3939	aurein 3,3	GLFDIVKKIAGHIVSSI~	897.52795	MH2+	Inhouse_peptide	NA	peptide
+PJ071187	GPTLLLER 	C40H71N11O12	897.5284	NA	PeJP	NA	NA
+PJ071188	AVLHFRR 	C41H67N15O8	897.5297	NA	PeJP	NA	NA
+PJ071189	GPVKRRW 	C41H67N15O8	897.5298	NA	PeJP	NA	NA
+8160	ACE inhibitor from b-CN (202-209)	RGPFPIIV	897.53	antibacterial	Inhouse_peptide	NA	peptide
+PJ071190	PLLLKEW 	C45H71N9O10	897.5324	NA	PeJP	NA	NA
+PJ071191	AKKKMHR 	C38H71N15O8S	897.5331	NA	PeJP	NA	NA
+PJ071192	SPPLLLKM 	C42H75N9O10S	897.5358	NA	PeJP	NA	NA
+PJ071193	VLLLFFF 	C50H71N7O8	897.5364	NA	PeJP	NA	NA
+PJ071194	GPTRRRR 	C35H67N19O9	897.537	NA	PeJP	NA	NA
+PJ071195	PLQKKER 	C39H71N13O11	897.5396	NA	PeJP	NA	NA
+PJ071196	GAPLKKER 	C39H71N13O11	897.5397	NA	PeJP	NA	NA
+PJ071197	PKRRRW 	C40H67N17O7	897.541	NA	PeJP	NA	NA
+PJ071198	PTLLLRW 	C44H71N11O9	897.5437	NA	PeJP	NA	NA
+PJ071199	GPVLLLMR 	C41H75N11O9S	897.547	NA	PeJP	NA	NA
+PJ071200	PVDKKRR 	C38H71N15O10	897.5509	NA	PeJP	NA	NA
+PJ071201	SPVLLLKE 	C42H75N9O12	897.5536	NA	PeJP	NA	NA
+PJ071202	APLKKRW 	C43H71N13O8	897.5549	NA	PeJP	NA	NA
+PJ071203	PLLLMRR 	C40H75N13O8S	897.5583	NA	PeJP	NA	NA
+PJ071204	SPVKRRR 	C37H71N17O9	897.5621	NA	PeJP	NA	NA
+PJ071205	AALLLLER 	C41H75N11O11	897.5648	NA	PeJP	NA	NA
+PJ071206	LLLLLQW 	C46H75N9O9	897.5688	NA	PeJP	NA	NA
+PJ071207	APLLLLKM 	C43H79N9O9S	897.5722	NA	PeJP	NA	NA
+PJ071208	AALRRRR 	C36H71N19O8	897.5734	NA	PeJP	NA	NA
+PJ071209	VLLLERR 	C40H75N13O10	897.576	NA	PeJP	NA	NA
+PJ071210	VVLLLRW 	C45H75N11O8	897.5801	NA	PeJP	NA	NA
+PJ071211	VRRRRR 	C35H71N21O7	897.5846	NA	PeJP	NA	NA
+PJ071212	PTLKKRR 	C39H75N15O9	897.5873	NA	PeJP	NA	NA
+PJ071213	VVVVLLKE 	C43H79N9O11	897.5899	NA	PeJP	NA	NA
+PJ071214	GLLLLLKE 	C43H79N9O11	897.59	NA	PeJP	NA	NA
+PJ071215	GLLKRRR 	C38H75N17O8	897.5985	NA	PeJP	NA	NA
+PJ071216	GTLLLLLR 	C42H79N11O10	897.6012	NA	PeJP	NA	NA
+PJ071217	LLLLLKW 	C47H79N9O8	897.6052	NA	PeJP	NA	NA
+PJ071218	LLLQKKR 	C41H79N13O9	897.6124	NA	PeJP	NA	NA
+PJ071219	VVLKKRR 	C40H79N15O8	897.6236	NA	PeJP	NA	NA
+PJ071220	SVLLLLLK 	C44H83N9O10	897.6263	NA	PeJP	NA	NA
+PJ071221	GVLLLKKK 	C43H83N11O9	897.6376	NA	PeJP	NA	NA
+PJ071222	LLLKKKR 	C42H83N13O8	897.6488	NA	PeJP	NA	NA
+EUR1138	SM(d18:1/26:3) [M-H+acetate]-	C49H94N2O6P	897.706051	masses lipides attendues	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR1138	SM(d18:1/26:3) [M-H+acetate]-	C49H94N2O6P	897.706051	masses lipides attendues	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR1138	SM(d18:1/26:3) [M-H+acetate]-	C49H94N2O6P	897.706051	masses lipides attendues	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR1138	SM(d18:1/26:3) [M-H+acetate]-	C49H94N2O6P	897.706051	masses lipides attendues	Inhousejuil11	NA	NA
+HMDB08323	PC(20:1(11Z)/24:1(15Z))	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+HMDB08355	PC(20:2(11Z,14Z)/24:0)	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+HMDB08547	PC(22:0/22:2(13Z,16Z))	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+HMDB08578	PC(22:1(13Z)/22:1(13Z))	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+HMDB08610	PC(22:2(13Z,16Z)/22:0)	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+HMDB08769	PC(24:0/20:2(11Z,14Z))	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+HMDB08801	PC(24:1(15Z)/20:1(11Z))	C52H100NO8P	897.718628	NA	HMDB2010	NA	NA
+5464	aurein 3,3	GLFDIVKKIAGHIVSSI	898.01995	MH2+	Inhouse_peptide	NA	peptide
+PJ071223	CCCCCCMM 	C28H50N8O9S8	898.1467	NA	PeJP	NA	NA
+MJ097169	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3''-Deoxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) 	C44H34O21	898.159258	NA	MeJP	NA	NA
+MJ097170	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'''-Hydroxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) 	C44H34O21	898.159258	NA	MeJP	NA	NA
+MJ097171	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5''-Hydroxy, 3,3'-bis(3,4,5-trihydroxybenzoyl) 	C44H34O21	898.159258	NA	MeJP	NA	NA
+MJ097172	Theasinensin C; 3''-Deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl) 	C44H34O21	898.159258	NA	MeJP	NA	NA
+MJ097173	Theasinensin C; Atropisomer, 3''-deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl) 	C44H34O21	898.159258	NA	MeJP	NA	NA
+PJ071224	CCCCCCDF 	C31H46N8O11S6	898.1611	NA	PeJP	NA	NA
+PJ071225	SCCCCCDY 	C31H46N8O13S5	898.1788	NA	PeJP	NA	NA
+MJ097174	[3,3',4',5,7-Pentahydroxyflavan(4?8)]2-3,3',4',5,7-pentahydroxyflavan, 5A,5B-Dihydroxy 	C45H38O20	898.195643	NA	MeJP	NA	NA
+PJ071226	ACCCCCMY 	C32H50N8O10S6	898.1975	NA	PeJP	NA	NA
+PJ071227	CCCCCNNH 	C29H46N12O11S5	898.2013	NA	PeJP	NA	NA
+PJ071228	SCCCCDEH 	C30H46N10O14S4	898.2078	NA	PeJP	NA	NA
+PJ071229	PCCCCCMH 	C31H50N10O9S6	898.2087	NA	PeJP	NA	NA
+PJ071230	SCDDDDDD 	C30H42N8O22S	898.2135	NA	PeJP	NA	NA
+PJ071231	PCCCDDDE 	C31H46N8O17S3	898.2144	NA	PeJP	NA	NA
+PJ071232	SSCCCCMY 	C32H50N8O12S5	898.2152	NA	PeJP	NA	NA
+PJ071233	GCCCDMMH 	C31H50N10O11S5	898.2265	NA	PeJP	NA	NA
+PJ071234	ACCCCCFF 	C36H50N8O9S5	898.2305	NA	PeJP	NA	NA
+PJ071235	GCDDDDEM 	C31H46N8O19S2	898.2321	NA	PeJP	NA	NA
+PJ071236	CCCNNNND 	C29H46N12O15S3	898.2368	NA	PeJP	NA	NA
+PJ071237	GCCCDDHF 	C34H46N10O13S3	898.2408	NA	PeJP	NA	NA
+PJ071238	SCCNNDDE 	C30H46N10O18S2	898.2433	NA	PeJP	NA	NA
+PJ071239	GGGGSCCDDE 	C30H46N10O18S2	898.2434	NA	PeJP	NA	NA
+PJ071240	SSCCCEMH 	C31H50N10O13S4	898.2442	NA	PeJP	NA	NA
+PJ071241	GCCCCHHH 	C32H46N14O9S4	898.2456	NA	PeJP	NA	NA
+PJ071242	CDDDDMW 	C35H46N8O16S2	898.2474	NA	PeJP	NA	NA
+PJ071243	CCCNMYY 	C36H50N8O11S4	898.2482	NA	PeJP	NA	NA
+PJ071244	SSDDDDDM 	C31H46N8O21S	898.2499	NA	PeJP	NA	NA
+PJ071245	SPCCDDEM 	C32H50N8O16S3	898.2507	NA	PeJP	NA	NA
+PJ071246	PPCCCDMM 	C33H54N8O11S5	898.2516	NA	PeJP	NA	NA
+PJ071247	GSCCNDDW 	C34H46N10O15S2	898.2586	NA	PeJP	NA	NA
+PJ071248	GPCCCCQW 	C35H50N10O10S4	898.2595	NA	PeJP	NA	NA
+PJ071249	GSSSCNDDD 	C30H46N10O20S	898.2611	NA	PeJP	NA	NA
+PJ071250	GCNNDDMM 	C31H50N10O15S3	898.262	NA	PeJP	NA	NA
+PJ071251	GSCCMMMH 	C32H54N10O10S5	898.2628	NA	PeJP	NA	NA
+PJ071252	GPCDDDDY 	C35H46N8O18S	898.2651	NA	PeJP	NA	NA
+PJ071253	GSTCCCYY 	C36H50N8O13S3	898.266	NA	PeJP	NA	NA
+PJ071254	GSDDDEMM 	C32H50N8O18S2	898.2685	NA	PeJP	NA	NA
+PJ071255	GPCDDMMM 	C33H54N8O13S4	898.2694	NA	PeJP	NA	NA
+PJ071256	PPCCCCHH 	C34H50N12O9S4	898.2707	NA	PeJP	NA	NA
+PJ071257	GCCCNDER 	C30H50N12O14S3	898.2732	NA	PeJP	NA	NA
+MJ097175	Blumeoside B 	C40H50O23	898.274287	NA	MeJP	NA	NA
+MJ097176	Lilongiside 	C40H50O23	898.274287	NA	MeJP	NA	NA
+MJ097177	Sucrose; 3'-O-(4-Hydroxy-3-methoxycinnamoyl), 6'-O-(4-?-D-glucopyranosyloxy-3-methoxycinnamoyl), 6-Ac 	C40H50O23	898.274287	NA	MeJP	NA	NA
+PJ071258	GCNNDDDF 	C34H46N10O17S	898.2764	NA	PeJP	NA	NA
+PJ071259	CCNNEMW 	C35H50N10O12S3	898.2772	NA	PeJP	NA	NA
+PJ071260	SSCNNDEM 	C31H50N10O17S2	898.2797	NA	PeJP	NA	NA
+PJ071261	SSTCCMMH 	C32H54N10O12S4	898.2806	NA	PeJP	NA	NA
+PJ071262	GCCNNDHH 	C32H46N14O13S2	898.2811	NA	PeJP	NA	NA
+PJ071263	CCCNFFY 	C40H50N8O10S3	898.2812	NA	PeJP	NA	NA
+PJ071264	NDDDEEY 	C35H46N8O20	898.2829	NA	PeJP	NA	NA
+PJ071265	SDDDMMW 	C36H50N8O15S2	898.2837	NA	PeJP	NA	NA
+PJ071266	GPCDDDMF 	C36H50N8O15S2	898.2838	NA	PeJP	NA	NA
+PJ071267	PCCEMMW 	C37H54N8O10S4	898.2846	NA	PeJP	NA	NA
+PJ071268	SSSDDEEM 	C32H50N8O20S	898.2862	NA	PeJP	NA	NA
+PJ071269	NDEEMMM 	C33H54N8O15S3	898.2871	NA	PeJP	NA	NA
+PJ071270	GSCDDEHH 	C33H46N12O16S	898.2876	NA	PeJP	NA	NA
+PJ071271	SPPCCMMM 	C34H58N8O10S5	898.288	NA	PeJP	NA	NA
+PJ071272	CCCNDRW 	C34H50N12O11S3	898.2884	NA	PeJP	NA	NA
+PJ071273	GGCCCDRW 	C34H50N12O11S3	898.2885	NA	PeJP	NA	NA
+PJ071274	GSSSCCNNQ 	C30H50N12O16S2	898.2909	NA	PeJP	NA	NA
+PJ071275	SSCCNDDR 	C30H50N12O16S2	898.291	NA	PeJP	NA	NA
+PJ071276	SPCCCCQR 	C31H54N12O11S4	898.2918	NA	PeJP	NA	NA
+PJ071277	GCCNMWW 	C39H50N10O9S3	898.2925	NA	PeJP	NA	NA
+PJ071278	GSNNDDDY 	C34H46N10O19	898.2941	NA	PeJP	NA	NA
+PJ071279	GSSCNDMW 	C35H50N10O14S2	898.295	NA	PeJP	NA	NA
+PJ071280	CCQMMHF 	C36H54N10O9S4	898.2958	NA	PeJP	NA	NA
+PJ071281	GPCCCCKW 	C36H54N10O9S4	898.2959	NA	PeJP	NA	NA
+PJ071282	GSSSSNDDM 	C31H50N10O19S	898.2975	NA	PeJP	NA	NA
+PJ071283	GDDDEYW 	C39H46N8O17	898.2981	NA	PeJP	NA	NA
+PJ071284	GSNNDMMM 	C32H54N10O14S3	898.2983	NA	PeJP	NA	NA
+PJ071285	CDDEMMR 	C32H54N10O14S3	898.2984	NA	PeJP	NA	NA
+PJ071286	PCCDEFW 	C40H50N8O12S2	898.299	NA	PeJP	NA	NA
+MJ097178	Perdeacylemarginatine; 1,6,8,9,14-Penta-Ac 	C43H50N2O19	898.300777	NA	MeJP	NA	NA
+PJ071287	GSPDDDMY 	C36H50N8O17S	898.3015	NA	PeJP	NA	NA
+PJ071288	GDEMMMW 	C37H54N8O12S3	898.3024	NA	PeJP	NA	NA
+PJ071289	SCDDHHW 	C37H46N12O13S	898.3028	NA	PeJP	NA	NA
+PJ071290	GSSEEEMM 	C33H54N8O17S2	898.3049	NA	PeJP	NA	NA
+PJ071291	SSSDDDHH 	C33H46N12O18	898.3053	NA	PeJP	NA	NA
+PJ071292	GSPDMMMM 	C34H58N8O12S4	898.3057	NA	PeJP	NA	NA
+PJ071293	GCCNNNQF 	C34H50N12O13S2	898.3062	NA	PeJP	NA	NA
+PJ071294	CCCMHFR 	C35H54N12O8S4	898.3071	NA	PeJP	NA	NA
+PJ071295	SSSSSCNNN 	C30H50N12O18S	898.3087	NA	PeJP	NA	NA
+PJ071296	PDDDDHW 	C38H46N10O16	898.3094	NA	PeJP	NA	NA
+PJ071297	GSCCNEMR 	C31H54N12O13S3	898.3096	NA	PeJP	NA	NA
+PJ071298	SSCCQWW 	C39H50N10O11S2	898.3102	NA	PeJP	NA	NA
+MJ097179	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-D-glucopyranosyl-(1?4)-2,3-di-O-acetyl-?-L-rhamnopyranosyl-(1?6)-[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C41H54O22	898.310673	NA	MeJP	NA	NA
+MJ097180	2-(3,4-Dihydroxyphenyl)ethanol; 3'-Me ether, 1-O-[?-D-glucopyranosyl-(1?4)-2,3-di-O-acetyl-?-L-rhamopyranosyl-(1?3)[4-hydroxy-3-methoxy-E-cinnamoyl-(?4)]-?-D-glucopyranoside] 	C41H54O22	898.310673	NA	MeJP	NA	NA
+PJ071299	SSSSCNEW 	C35H50N10O16S	898.3127	NA	PeJP	NA	NA
+PJ071300	GGGGGGDEMY 	C35H50N10O16S	898.3128	NA	PeJP	NA	NA
+PJ071301	DDDYWW 	C43H46N8O14	898.3134	NA	PeJP	NA	NA
+PJ071302	SCNQMMW 	C36H54N10O11S3	898.3136	NA	PeJP	NA	NA
+PJ071303	SSSSSSNDE 	C31H50N10O21	898.3152	NA	PeJP	NA	NA
+PJ071304	SSSNNEMM 	C32H54N10O16S2	898.3161	NA	PeJP	NA	NA
+PJ071305	GNNNNDDH 	C32H46N14O17	898.3166	NA	PeJP	NA	NA
+PJ071306	SPCDEYW 	C40H50N8O14S	898.3167	NA	PeJP	NA	NA
+PJ071307	PTCDDYW 	C40H50N8O14S	898.3168	NA	PeJP	NA	NA
+PJ071308	NNQMMMM 	C33H58N10O11S4	898.317	NA	PeJP	NA	NA
+PJ071309	CCDEHHR 	C33H50N14O12S2	898.3174	NA	PeJP	NA	NA
+PJ071310	GGGSCNMHH 	C33H50N14O12S2	898.3175	NA	PeJP	NA	NA
+PJ071311	DMMMWW 	C41H54N8O9S3	898.3176	NA	PeJP	NA	NA
+PJ071312	SNEEEEY 	C36H50N8O19	898.3192	NA	PeJP	NA	NA
+PJ071313	GGSEEEEY 	C36H50N8O19	898.3193	NA	PeJP	NA	NA
+PJ071314	SSEEMMW 	C37H54N8O14S2	898.3201	NA	PeJP	NA	NA
+PJ071315	NDDDHHF 	C37H46N12O15	898.3206	NA	PeJP	NA	NA
+PJ071316	GSCCCDRR 	C30H54N14O12S3	898.3208	NA	PeJP	NA	NA
+PJ071317	PTCMMMW 	C38H58N8O9S4	898.321	NA	PeJP	NA	NA
+PJ071318	GCEMHHW 	C38H50N12O10S2	898.3215	NA	PeJP	NA	NA
+PJ071319	SSSTEEEM 	C33H54N8O19S	898.3226	NA	PeJP	NA	NA
+PJ071320	TQEEMMM 	C34H58N8O14S3	898.3235	NA	PeJP	NA	NA
+PJ071321	CNNDDRY 	C34H50N12O15S	898.324	NA	PeJP	NA	NA
+PJ071322	EMMYYY 	C42H54N6O12S2	898.3241	NA	PeJP	NA	NA
+PJ071323	PQMMMMM 	C35H62N8O9S5	898.3244	NA	PeJP	NA	NA
+PJ071324	SCCNMRW 	C35H54N12O10S3	898.3248	NA	PeJP	NA	NA
+PJ071325	GGGPCCCFR 	C35H54N12O10S3	898.3249	NA	PeJP	NA	NA
+PJ071326	CNDHHHH 	C35H46N16O11S	898.3253	NA	PeJP	NA	NA
+PJ071327	GCCHFFW 	C43H50N10O8S2	898.3255	NA	PeJP	NA	NA
+PJ071328	SSSCNDMR 	C31H54N12O15S2	898.3273	NA	PeJP	NA	NA
+PJ071329	GGGGGSSSCCK 	C31H54N12O15S2	898.3274	NA	PeJP	NA	NA
+PJ071330	GSSSSCWW 	C39H50N10O13S	898.328	NA	PeJP	NA	NA
+PJ071331	CNNMMMR 	C32H58N12O10S4	898.3282	NA	PeJP	NA	NA
+PJ071332	ACCCKWW 	C40H54N10O8S3	898.3289	NA	PeJP	NA	NA
+PJ071333	GSSSSSSDW 	C35H50N10O18	898.3305	NA	PeJP	NA	NA
+PJ071334	GSSSNMMW 	C36H54N10O13S2	898.3314	NA	PeJP	NA	NA
+PJ071335	DDMFWW 	C44H50N8O11S	898.332	NA	PeJP	NA	NA
+PJ071336	CCKMMHF 	C37H58N10O8S4	898.3322	NA	PeJP	NA	NA
+PJ071337	GSSSSSQEM 	C32H54N10O18S	898.3338	NA	PeJP	NA	NA
+PJ071338	GSSSSTNEM 	C32H54N10O18S	898.3339	NA	PeJP	NA	NA
+PJ071339	GSEEEYW 	C40H50N8O16	898.3345	NA	PeJP	NA	NA
+PJ071340	SDEMMMR 	C33H58N10O13S3	898.3347	NA	PeJP	NA	NA
+PJ071341	SSSCNQHH 	C33H50N14O14S	898.3352	NA	PeJP	NA	NA
+PJ071342	GPDMMYW 	C41H54N8O11S2	898.3354	NA	PeJP	NA	NA
+PJ071343	PCMMMMR 	C34H62N10O8S5	898.3356	NA	PeJP	NA	NA
+PJ071344	CMHHWW 	C42H50N12O7S2	898.3367	NA	PeJP	NA	NA
+PJ071345	AQEEEMY 	C37H54N8O16S	898.3379	NA	PeJP	NA	NA
+PJ071346	DEFYYY 	C45H50N6O14	898.3385	NA	PeJP	NA	NA
+PJ071347	ATEMMMW 	C38H58N8O11S3	898.3387	NA	PeJP	NA	NA
+PJ071348	GPPTCMMY 	C38H58N8O11S3	898.3388	NA	PeJP	NA	NA
+PJ071349	SSDMHHW 	C38H50N12O12S	898.3392	NA	PeJP	NA	NA
+PJ071350	CCCQMRR 	C31H58N14O9S4	898.3394	NA	PeJP	NA	NA
+PJ071351	GACCCMRR 	C31H58N14O9S4	898.3395	NA	PeJP	NA	NA
+PJ071352	GTTTEEMM 	C34H58N8O16S2	898.3413	NA	PeJP	NA	NA
+PJ071353	SSSNNNNY 	C34H50N12O17	898.3417	NA	PeJP	NA	NA
+PJ071354	GGGGGAEEEH 	C34H50N12O17	898.3418	NA	PeJP	NA	NA
+PJ071355	VQEMMMM 	C35H62N8O11S4	898.3421	NA	PeJP	NA	NA
+PJ071356	GSSTCCRW 	C35H54N12O12S2	898.3426	NA	PeJP	NA	NA
+PJ071357	CNQYWW 	C43H50N10O10S	898.3432	NA	PeJP	NA	NA
+PJ071358	GGGACYWW 	C43H50N10O10S	898.3433	NA	PeJP	NA	NA
+PJ071359	GSSSSSCER 	C31H54N12O17S	898.3451	NA	PeJP	NA	NA
+PJ071360	SSNNEYW 	C39H50N10O15	898.3457	NA	PeJP	NA	NA
+PJ071361	GGGGSSEYW 	C39H50N10O15	898.3458	NA	PeJP	NA	NA
+PJ071362	GSSCQMMR 	C32H58N12O12S3	898.346	NA	PeJP	NA	NA
+PJ071363	SSCCKWW 	C40H54N10O10S2	898.3466	NA	PeJP	NA	NA
+PJ071364	SSSSSQMW 	C36H54N10O15S	898.3491	NA	PeJP	NA	NA
+PJ071365	NNYYYY 	C44H50N8O13	898.3497	NA	PeJP	NA	NA
+PJ071366	SEEYWW 	C44H50N8O13	898.3498	NA	PeJP	NA	NA
+PJ071367	SCNKMMW 	C37H58N10O10S3	898.35	NA	PeJP	NA	NA
+PJ071368	CNNQHHF 	C37H50N14O11S	898.3505	NA	PeJP	NA	NA
+PJ071369	PPCCFFW 	C45H54N8O8S2	898.3506	NA	PeJP	NA	NA
+PJ071370	CCCCRRR 	C30H58N16O8S4	898.3507	NA	PeJP	NA	NA
+PJ071371	SSSSSSTQE 	C32H54N10O20	898.3516	NA	PeJP	NA	NA
+PJ071372	SSSNDKMM 	C33H58N10O15S2	898.3525	NA	PeJP	NA	NA
+PJ071373	NNDDEHR 	C33H50N14O16	898.353	NA	PeJP	NA	NA
+PJ071374	AAEEMYW 	C41H54N8O13S	898.3531	NA	PeJP	NA	NA
+PJ071375	GGPDEMFF 	C41H54N8O13S	898.3532	NA	PeJP	NA	NA
+PJ071376	NNKMMMM 	C34H62N10O10S4	898.3533	NA	PeJP	NA	NA
+PJ071377	AEMMMMR 	C34H62N10O10S4	898.3534	NA	PeJP	NA	NA
+PJ071378	SCEMHHR 	C34H54N14O11S2	898.3538	NA	PeJP	NA	NA
+PJ071379	GPMMMFW 	C42H58N8O8S3	898.354	NA	PeJP	NA	NA
+PJ071380	GPCNHWW 	C42H50N12O9S	898.3545	NA	PeJP	NA	NA
+PJ071381	SDKEEEY 	C37H54N8O18	898.3556	NA	PeJP	NA	NA
+PJ071382	SPPPDEEE 	C37H54N8O18	898.3557	NA	PeJP	NA	NA
+PJ071383	TTTEMMW 	C38H58N8O13S2	898.3565	NA	PeJP	NA	NA
+PJ071384	GNQEEHW 	C38H50N12O14	898.357	NA	PeJP	NA	NA
+PJ071385	PMYYYY 	C46H54N6O11S	898.3571	NA	PeJP	NA	NA
+PJ071386	EMFFYY 	C46H54N6O11S	898.3572	NA	PeJP	NA	NA
+PJ071387	GLMMMMW 	C39H62N8O8S4	898.3574	NA	PeJP	NA	NA
+PJ071388	ACCNFRW 	C39H54N12O9S2	898.3578	NA	PeJP	NA	NA
+PJ071389	GCCQFRW 	C39H54N12O9S2	898.3579	NA	PeJP	NA	NA
+PJ071390	STTTTEEM 	C34H58N8O18S	898.359	NA	PeJP	NA	NA
+PJ071391	TKEEMMM 	C35H62N8O13S3	898.3599	NA	PeJP	NA	NA
+PJ071392	SSSSSCRW 	C35H54N12O14S	898.3603	NA	PeJP	NA	NA
+PJ071393	GGSNDMRY 	C35H54N12O14S	898.3604	NA	PeJP	NA	NA
+PJ071394	PKMMMMM 	C36H66N8O8S5	898.3608	NA	PeJP	NA	NA
+PJ071395	GSSNYWW 	C43H50N10O12	898.361	NA	PeJP	NA	NA
+PJ071396	TCCCKRW 	C36H58N12O9S3	898.3612	NA	PeJP	NA	NA
+PJ071397	SNMHHHH 	C36H50N16O10S	898.3617	NA	PeJP	NA	NA
+PJ071398	SSSSSSSDR 	C31H54N12O19	898.3628	NA	PeJP	NA	NA
+PJ071399	SSSSNMMR 	C32H58N12O14S2	898.3637	NA	PeJP	NA	NA
+PJ071400	DEMRYW 	C40H54N10O12S	898.3644	NA	PeJP	NA	NA
+PJ071401	CCQKMMR 	C33H62N12O9S4	898.3646	NA	PeJP	NA	NA
+PJ071402	GSSSSSTTW 	C36H54N10O17	898.3669	NA	PeJP	NA	NA
+PJ071403	GSSTCKMW 	C37H58N10O12S2	898.3677	NA	PeJP	NA	NA
+PJ071404	GGGGVQMMY 	C37H58N10O12S2	898.3678	NA	PeJP	NA	NA
+PJ071405	GNDDHRW 	C37H50N14O13	898.3682	NA	PeJP	NA	NA
+PJ071406	VDMYWW 	C45H54N8O10S	898.3684	NA	PeJP	NA	NA
+PJ071407	PCCHHFR 	C38H54N14O8S2	898.3691	NA	PeJP	NA	NA
+PJ071408	GSSSSSKEM 	C33H58N10O17S	898.3702	NA	PeJP	NA	NA
+PJ071409	ATTEEYW 	C41H54N8O15	898.3709	NA	PeJP	NA	NA
+PJ071410	TTEMMMR 	C34H62N10O12S3	898.3711	NA	PeJP	NA	NA
+PJ071411	GSPCNEHR 	C34H54N14O13S	898.3716	NA	PeJP	NA	NA
+PJ071412	APTMMYW 	C42H58N8O10S2	898.3718	NA	PeJP	NA	NA
+PJ071413	NQEHWW 	C42H50N12O11	898.3722	NA	PeJP	NA	NA
+PJ071414	GGGAEHWW 	C42H50N12O11	898.3723	NA	PeJP	NA	NA
+PJ071415	GMMMHHR 	C35H58N14O8S3	898.3725	NA	PeJP	NA	NA
+PJ071416	AKEEEMY 	C38H58N8O15S	898.3743	NA	PeJP	NA	NA
+PJ071417	VEYYYY 	C46H54N6O13	898.3749	NA	PeJP	NA	NA
+PJ071418	STLMMMW 	C39H62N8O10S3	898.3751	NA	PeJP	NA	NA
+PJ071419	GSCQRYW 	C39H54N12O11S	898.3756	NA	PeJP	NA	NA
+PJ071420	CCCKMRR 	C32H62N14O8S4	898.3758	NA	PeJP	NA	NA
+PJ071421	SSTTLEMM 	C35H62N8O15S2	898.3776	NA	PeJP	NA	NA
+PJ071422	GSSSNERY 	C35H54N12O16	898.3781	NA	PeJP	NA	NA
+PJ071423	VKEMMMM 	C36H66N8O10S4	898.3785	NA	PeJP	NA	NA
+PJ071424	GNQMMRY 	C36H58N12O11S2	898.379	NA	PeJP	NA	NA
+PJ071425	GSSTHHHH 	C36H50N16O12	898.3795	NA	PeJP	NA	NA
+PJ071426	CNKYWW 	C44H54N10O9S	898.3796	NA	PeJP	NA	NA
+PJ071427	GSSSSSTMR 	C32H58N12O16S	898.3815	NA	PeJP	NA	NA
+PJ071428	SSNDKYW 	C40H54N10O14	898.3821	NA	PeJP	NA	NA
+PJ071429	GGGAPPEEW 	C40H54N10O14	898.3822	NA	PeJP	NA	NA
+PJ071430	GSSCKMMR 	C33H62N12O11S3	898.3824	NA	PeJP	NA	NA
+PJ071431	NNNNMHR 	C33H54N16O12S	898.3828	NA	PeJP	NA	NA
+PJ071432	GGGGGGGGMHR 	C33H54N16O12S	898.3829	NA	PeJP	NA	NA
+PJ071433	EMMFRW 	C41H58N10O9S2	898.383	NA	PeJP	NA	NA
+PJ071434	GPEHHHW 	C41H50N14O10	898.3835	NA	PeJP	NA	NA
+PJ071435	SSSSSKMW 	C37H58N10O14S	898.3855	NA	PeJP	NA	NA
+PJ071436	SSPPYYW 	C45H54N8O12	898.3861	NA	PeJP	NA	NA
+MJ097181	Microsclerodermin F; 2',3'-Didehydro(Z-) 	C45H54N8O12	898.386119	NA	MeJP	NA	NA
+PJ071437	AAPEYYW 	C45H54N8O12	898.3862	NA	PeJP	NA	NA
+PJ071438	TCCKKMW 	C38H62N10O9S3	898.3864	NA	PeJP	NA	NA
+PJ071439	SPCNHRW 	C38H54N14O10S	898.3868	NA	PeJP	NA	NA
+PJ071440	GGSPCHRW 	C38H54N14O10S	898.3869	NA	PeJP	NA	NA
+PJ071441	VMMFWW 	C46H58N8O7S2	898.387	NA	PeJP	NA	NA
+PJ071442	GQHWWW 	C46H50N12O8	898.3875	NA	PeJP	NA	NA
+PJ071443	SSSSSSTKE 	C33H58N10O19	898.388	NA	PeJP	NA	NA
+PJ071444	SSSTQKMM 	C34H62N10O14S2	898.3889	NA	PeJP	NA	NA
+PJ071445	SNQEEHR 	C34H54N14O15	898.3893	NA	PeJP	NA	NA
+PJ071446	GGSQEEHR 	C34H54N14O15	898.3894	NA	PeJP	NA	NA
+PJ071447	GTLEMYW 	C42H58N8O12S	898.3895	NA	PeJP	NA	NA
+PJ071448	SLMMMMR 	C35H66N10O9S4	898.3897	NA	PeJP	NA	NA
+PJ071449	GACKKMMM 	C35H66N10O9S4	898.3898	NA	PeJP	NA	NA
+PJ071450	PFFYYY 	C50H54N6O10	898.3902	NA	PeJP	NA	NA
+PJ071451	AAMHHFW 	C43H54N12O8S	898.3909	NA	PeJP	NA	NA
+PJ071452	TTKEEEY 	C38H58N8O17	898.392	NA	PeJP	NA	NA
+PJ071453	PTKEMMY 	C39H62N8O12S2	898.3929	NA	PeJP	NA	NA
+PJ071454	SSSNRYW 	C39H54N12O13	898.3934	NA	PeJP	NA	NA
+PJ071455	LMFYYY 	C47H58N6O10S	898.3935	NA	PeJP	NA	NA
+PJ071456	GCCKFRW 	C40H58N12O8S2	898.3942	NA	PeJP	NA	NA
+PJ071457	GQHHHHF 	C40H50N16O9	898.3947	NA	PeJP	NA	NA
+PJ071458	SSSLLMMM 	C36H66N8O12S3	898.3963	NA	PeJP	NA	NA
+PJ071459	SSQQMRY 	C36H58N12O13S	898.3967	NA	PeJP	NA	NA
+PJ071460	GGSPPPCER 	C36H58N12O13S	898.3968	NA	PeJP	NA	NA
+PJ071461	LEEHWW 	C44H54N10O11	898.3974	NA	PeJP	NA	NA
+PJ071462	PPMMMHR 	C37H62N12O8S3	898.3976	NA	PeJP	NA	NA
+PJ071463	TCKHHHH 	C37H54N16O9S	898.3981	NA	PeJP	NA	NA
+PJ071464	PHHHWW 	C45H50N14O7	898.3987	NA	PeJP	NA	NA
+PJ071465	SSSSSSTTR 	C32H58N12O18	898.3992	NA	PeJP	NA	NA
+PJ071466	SSSTCKMR 	C33H62N12O13S2	898.4001	NA	PeJP	NA	NA
+PJ071467	SNDDHRR 	C33H54N16O14	898.4006	NA	PeJP	NA	NA
+PJ071468	ASNKMYW 	C41H58N10O11S	898.4007	NA	PeJP	NA	NA
+PJ071469	GSQKMYW 	C41H58N10O11S	898.4008	NA	PeJP	NA	NA
+PJ071470	CCKKMMR 	C34H66N12O8S4	898.401	NA	PeJP	NA	NA
+PJ071471	PTFYWW 	C49H54N8O9	898.4014	NA	PeJP	NA	NA
+PJ071472	PCCQHRR 	C34H58N16O9S2	898.4015	NA	PeJP	NA	NA
+PJ071473	ASSSQKEY 	C37H58N10O16	898.4032	NA	PeJP	NA	NA
+PJ071474	TTTEERY 	C37H58N10O16	898.4033	NA	PeJP	NA	NA
+PJ071475	GLEMMRY 	C38H62N10O11S2	898.4041	NA	PeJP	NA	NA
+PJ071476	GGGGPPPVMM 	C38H62N10O11S2	898.4042	NA	PeJP	NA	NA
+PJ071477	GSQEHRW 	C38H54N14O12	898.4046	NA	PeJP	NA	NA
+PJ071478	TLMYWW 	C46H58N8O9S	898.4048	NA	PeJP	NA	NA
+PJ071479	GSSSTTTKM 	C34H62N10O16S	898.4066	NA	PeJP	NA	NA
+PJ071480	STTLEYW 	C42H58N8O14	898.4073	NA	PeJP	NA	NA
+PJ071481	GSSKKMMM 	C35H66N10O11S3	898.4075	NA	PeJP	NA	NA
+PJ071482	SSCQRRY 	C35H58N14O12S	898.408	NA	PeJP	NA	NA
+PJ071483	ACLLMYW 	C43H62N8O9S2	898.4081	NA	PeJP	NA	NA
+PJ071484	GVLMMYW 	C43H62N8O9S2	898.4082	NA	PeJP	NA	NA
+PJ071485	NKEHWW 	C43H54N12O10	898.4086	NA	PeJP	NA	NA
+PJ071486	SSPTTLMY 	C39H62N8O14S	898.4106	NA	PeJP	NA	NA
+PJ071487	SLKEEMY 	C39H62N8O14S	898.4107	NA	PeJP	NA	NA
+PJ071488	PVKMMMY 	C40H66N8O9S3	898.4115	NA	PeJP	NA	NA
+PJ071489	GSCKRYW 	C40H58N12O10S	898.412	NA	PeJP	NA	NA
+PJ071490	PPQWWW 	C48H54N10O8	898.4126	NA	PeJP	NA	NA
+PJ071491	GAPPWWW 	C48H54N10O8	898.4127	NA	PeJP	NA	NA
+PJ071492	TTTTTLMM 	C36H66N8O14S2	898.414	NA	PeJP	NA	NA
+PJ071493	GSSSDKRY 	C36H58N12O15	898.4145	NA	PeJP	NA	NA
+PJ071494	GNKMMRY 	C37H62N12O10S2	898.4154	NA	PeJP	NA	NA
+PJ071495	SPEHHHR 	C37H54N16O11	898.4158	NA	PeJP	NA	NA
+PJ071496	GGGGLQHHH 	C37H54N16O11	898.4159	NA	PeJP	NA	NA
+PJ071497	PMFRYW 	C45H58N10O8S	898.416	NA	PeJP	NA	NA
+PJ071498	SSTQKYW 	C41H58N10O13	898.4185	NA	PeJP	NA	NA
+PJ071499	GNEMHRR 	C34H58N16O11S	898.4192	NA	PeJP	NA	NA
+MJ097182	Bephenium(1+); 4,4'-Methylenebis(3-hydroxy-2-naphthoate) salt (2:1) 	C57H58N2O8	898.419316	NA	MeJP	NA	NA
+PJ071500	LMMRYW 	C42H62N10O8S2	898.4194	NA	PeJP	NA	NA
+MJ097183	Thevetiogenin; 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C44H66O19	898.419829	NA	MeJP	NA	NA
+PJ071501	SQHRWW 	C42H54N14O9	898.4199	NA	PeJP	NA	NA
+PJ071502	STLEMRY 	C38H62N10O13S	898.4219	NA	PeJP	NA	NA
+PJ071503	GPTLYYW 	C46H58N8O11	898.4225	NA	PeJP	NA	NA
+PJ071504	GGPVEFFF 	C46H58N8O11	898.4226	NA	PeJP	NA	NA
+PJ071505	ALMMMFR 	C39H66N10O8S3	898.4228	NA	PeJP	NA	NA
+PJ071506	AAQMHRW 	C39H58N14O9S	898.4232	NA	PeJP	NA	NA
+PJ071507	GKHWWW 	C47H54N12O7	898.4239	NA	PeJP	NA	NA
+PJ071508	SSSSTTTTK 	C34H62N10O18	898.4244	NA	PeJP	NA	NA
+PJ071509	SSSTKKMM 	C35H66N10O13S2	898.4253	NA	PeJP	NA	NA
+PJ071510	GSSSSRRY 	C35H58N14O14	898.4257	NA	PeJP	NA	NA
+PJ071511	GGGGAAPQER 	C35H58N14O14	898.4258	NA	PeJP	NA	NA
+PJ071512	SSLLMYW 	C43H62N8O11S	898.4259	NA	PeJP	NA	NA
+PJ071513	CKKKMMM 	C36H70N10O8S4	898.4261	NA	PeJP	NA	NA
+PJ071514	LFFFYY 	C51H58N6O9	898.4266	NA	PeJP	NA	NA
+PJ071515	GQQHHHR 	C36H54N18O10	898.4271	NA	PeJP	NA	NA
+PJ071516	SSSTLLEY 	C39H62N8O16	898.4284	NA	PeJP	NA	NA
+PJ071517	VVKEMMY 	C40H66N8O11S2	898.4293	NA	PeJP	NA	NA
+PJ071518	SPPQERW 	C40H58N12O12	898.4297	NA	PeJP	NA	NA
+PJ071519	GGPPTERW 	C40H58N12O12	898.4298	NA	PeJP	NA	NA
+PJ071520	GCDHRRR 	C33H58N18O10S	898.4305	NA	PeJP	NA	NA
+PJ071521	GKHHHHF 	C41H54N16O8	898.4311	NA	PeJP	NA	NA
+PJ071522	SSQKMRY 	C37H62N12O12S	898.4331	NA	PeJP	NA	NA
+PJ071523	GGGGGAAPPKM 	C37H62N12O12S	898.4332	NA	PeJP	NA	NA
+PJ071524	GPPKEWW 	C45H58N10O10	898.4338	NA	PeJP	NA	NA
+PJ071525	NMHRRW 	C38H58N16O8S	898.4345	NA	PeJP	NA	NA
+MJ097184	4-N-Benzyl-4-N-demethylrifampicin 	C49H62N4O12	898.436423	NA	MeJP	NA	NA
+PJ071526	SSQEHRR 	C34H58N16O13	898.437	NA	PeJP	NA	NA
+PJ071527	GSKKMYW 	C42H62N10O10S	898.4371	NA	PeJP	NA	NA
+PJ071528	VVVEMHW 	C42H62N10O10S	898.4372	NA	PeJP	NA	NA
+PJ071529	VVFYWW 	C50H58N8O8	898.4378	NA	PeJP	NA	NA
+PJ071530	GSSTKKEY 	C38H62N10O15	898.4396	NA	PeJP	NA	NA
+PJ071531	GTTLLEEH 	C38H62N10O15	898.4397	NA	PeJP	NA	NA
+PJ071532	SVLMMRY 	C39H66N10O10S2	898.4405	NA	PeJP	NA	NA
+PJ071533	GSKEHRW 	C39H58N14O11	898.441	NA	PeJP	NA	NA
+PJ071534	GVLMFFW 	C47H62N8O8S	898.4412	NA	PeJP	NA	NA
+PJ071535	SPLKEYY 	C43H62N8O13	898.4437	NA	PeJP	NA	NA
+PJ071536	SSCKRRY 	C36H62N14O11S	898.4443	NA	PeJP	NA	NA
+PJ071537	PPNEMRR 	C36H62N14O11S	898.4444	NA	PeJP	NA	NA
+PJ071538	PVKMMFF 	C44H66N8O8S2	898.4445	NA	PeJP	NA	NA
+PJ071539	GPPTRWW 	C44H58N12O9	898.445	NA	PeJP	NA	NA
+PJ071540	GTTTLLMY 	C40H66N8O13S	898.447	NA	PeJP	NA	NA
+PJ071541	APPLLEEM 	C40H66N8O13S	898.4471	NA	PeJP	NA	NA
+PJ071542	VLKMMMF 	C41H70N8O8S3	898.4479	NA	PeJP	NA	NA
+PJ071543	PPVNMRW 	C41H62N12O9S	898.4484	NA	PeJP	NA	NA
+PJ071544	PPKWWW 	C49H58N10O7	898.449	NA	PeJP	NA	NA
+PJ071545	GSSTTKRY 	C37H62N12O14	898.4509	NA	PeJP	NA	NA
+PJ071546	ACKKMRY 	C38H66N12O9S2	898.4517	NA	PeJP	NA	NA
+PJ071547	VCCKKRY 	C38H66N12O9S2	898.4518	NA	PeJP	NA	NA
+PJ071548	GSTHRRW 	C38H58N16O10	898.4522	NA	PeJP	NA	NA
+PJ071549	LMFFRW 	C46H62N10O7S	898.4524	NA	PeJP	NA	NA
+MJ097185	Allatostatin A3 	C42H62N10O12	898.454867	NA	MeJP	NA	NA
+PJ071550	SSTKKYW 	C42H62N10O12	898.4549	NA	PeJP	NA	NA
+PJ071551	PPCDRRR 	C35H62N16O10S	898.4556	NA	PeJP	NA	NA
+PJ071552	SKHRWW 	C43H58N14O8	898.4562	NA	PeJP	NA	NA
+MJ097186	24(23?22)-Abeo-16,23-epoxy-3,23-dihydroxycholesta-5,24-dien-18-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C45H70O18	898.456215	NA	MeJP	NA	NA
+MJ097187	Sepositoside A 	C45H70O18	898.456215	NA	MeJP	NA	NA
+PJ071553	GLLHHHW 	C43H58N14O8	898.4563	NA	PeJP	NA	NA
+PJ071554	SDKKKMY 	C39H66N10O12S	898.4583	NA	PeJP	NA	NA
+PJ071555	AALLYYW 	C47H62N8O10	898.4589	NA	PeJP	NA	NA
+PJ071556	GPPMRRW 	C40H62N14O8S	898.4596	NA	PeJP	NA	NA
+PJ071557	PVNEERR 	C36H62N14O13	898.4621	NA	PeJP	NA	NA
+PJ071558	GGGGGGGGAPKK 	C36H62N14O13	898.4622	NA	PeJP	NA	NA
+PJ071559	PVVKMYY 	C44H66N8O10S	898.4623	NA	PeJP	NA	NA
+PJ071560	PCKKMHR 	C37H66N14O8S2	898.463	NA	PeJP	NA	NA
+PJ071561	GQKHHHR 	C37H58N18O9	898.4635	NA	PeJP	NA	NA
+PJ071562	STTTTLLY 	C40H66N8O15	898.4648	NA	PeJP	NA	NA
+PJ071563	TLLKMMY 	C41H70N8O10S2	898.4657	NA	PeJP	NA	NA
+PJ071564	SPPKERW 	C41H62N12O11	898.4661	NA	PeJP	NA	NA
+PJ071565	GAAPLERW 	C41H62N12O11	898.4662	NA	PeJP	NA	NA
+PJ071566	GSMHRRR 	C34H62N18O9S	898.4668	NA	PeJP	NA	NA
+PJ071567	HHFFRR 	C42H58N16O7	898.4675	NA	PeJP	NA	NA
+PJ071568	SSKKMRY 	C38H66N12O11S	898.4695	NA	PeJP	NA	NA
+PJ071569	SPPVKWW 	C46H62N10O9	898.4702	NA	PeJP	NA	NA
+PJ071570	TTTQHRR 	C35H62N16O12	898.4733	NA	PeJP	NA	NA
+PJ071571	GPEERRR 	C35H62N16O12	898.4734	NA	PeJP	NA	NA
+PJ071572	SLLLMHW 	C43H66N10O9S	898.4735	NA	PeJP	NA	NA
+PJ071573	SSSSLKKY 	C39H66N10O14	898.476	NA	PeJP	NA	NA
+PJ071574	GGGPLLKEE 	C39H66N10O14	898.4761	NA	PeJP	NA	NA
+PJ071575	AKKKMMY 	C40H70N10O9S2	898.4769	NA	PeJP	NA	NA
+PJ071576	GPVERRW 	C40H62N14O10	898.4774	NA	PeJP	NA	NA
+PJ071577	ALLKEYY 	C44H66N8O12	898.48	NA	PeJP	NA	NA
+PJ071578	PLLLEEW 	C44H66N8O12	898.4801	NA	PeJP	NA	NA
+PJ071579	ASPPCLRR 	C37H66N14O10S	898.4807	NA	PeJP	NA	NA
+PJ071580	PPDKMRR 	C37H66N14O10S	898.4808	NA	PeJP	NA	NA
+PJ071581	AAPLRWW 	C45H62N12O8	898.4814	NA	PeJP	NA	NA
+PJ071582	SPPLLLEM 	C41H70N8O12S	898.4834	NA	PeJP	NA	NA
+PJ071583	SSTHRRR 	C34H62N18O11	898.4846	NA	PeJP	NA	NA
+PJ071584	PPCLKRW 	C42H66N12O8S	898.4848	NA	PeJP	NA	NA
+PJ071585	PLQKEER 	C38H66N12O13	898.4873	NA	PeJP	NA	NA
+PJ071586	VLLMMHR 	C39H70N12O8S2	898.4881	NA	PeJP	NA	NA
+PJ071587	PERRRW 	C39H62N16O9	898.4886	NA	PeJP	NA	NA
+PJ071588	PVLQKEW 	C43H66N10O11	898.4913	NA	PeJP	NA	NA
+PJ071589	SPPMRRR 	C36H66N16O9S	898.492	NA	PeJP	NA	NA
+MJ097188	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097189	21,23-Epoxy-3,20,21-trihydroxydammar-24-en-19-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097190	3,11,12,14-Tetrahydroxypregnan-20-one, 11,12-Di-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097191	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097192	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097193	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097194	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097195	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], 28-O-?-L-arabinopyranosyl ester 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097196	3,27-Dihydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-L-arabinopyranosyl-(1?3)-?-D-glucopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097197	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097198	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-digitoxopyranosyl-(1?4)-?-olivopyranosyl-(1?4)-?-digitoxopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097199	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097200	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-digitoxopyranosyl-(1?4)-?-D-olivopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097201	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097202	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097203	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-L-arabinopyranosyl ester 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097204	Jujubogenin; 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097205	Jujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097206	Pseudojujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-arabinofuranosyl-(1?2)]-?-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097207	Pseudojujubogenin; 3-O-[?-L-Arabinofuranosyl-(1?6)-[?-L-arabinopyranosyl-(1?5)]-?-D-glucofuranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+MJ097208	Spirostane-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-4-acetyl-?-L-arabinopyranoside] 	C46H74O17	898.4926	NA	MeJP	NA	NA
+PJ071590	PVRRWW 	C44H62N14O7	898.4926	NA	PeJP	NA	NA
+MJ097209	Kabiramide C; 21-De-O-(aminocarbonyl) 	C47H70N4O13	898.493938	NA	MeJP	NA	NA
+PJ071591	TTKKKMY 	C40H70N10O11S	898.4947	NA	PeJP	NA	NA
+PJ071592	PVVKFFY 	C48H66N8O9	898.4953	NA	PeJP	NA	NA
+MJ097210	Stachybocin A; 17'?-Hydroxy 	C52H70N2O11	898.497961	NA	MeJP	NA	NA
+MJ097211	Stachybocin A; 17?-Hydroxy 	C52H70N2O11	898.497961	NA	MeJP	NA	NA
+PJ071593	PVDKERR 	C37H66N14O12	898.4985	NA	PeJP	NA	NA
+PJ071594	VVLKMFY 	C45H70N8O9S	898.4987	NA	PeJP	NA	NA
+PJ071595	QHFRRR 	C38H62N18O8	898.4998	NA	PeJP	NA	NA
+PJ071596	GAHFRRR 	C38H62N18O8	898.4999	NA	PeJP	NA	NA
+PJ071597	SPVLLLEE 	C41H70N8O14	898.5012	NA	PeJP	NA	NA
+PJ071598	PPVVLLMM 	C42H74N8O9S2	898.5021	NA	PeJP	NA	NA
+PJ071599	APLKERW 	C42H66N12O10	898.5025	NA	PeJP	NA	NA
+PJ071600	GPPTLKMR 	C39H70N12O10S	898.5059	NA	PeJP	NA	NA
+PJ071601	KKKFYW 	C47H66N10O8	898.5065	NA	PeJP	NA	NA
+PJ071602	GPLLKWW 	C47H66N10O8	898.5066	NA	PeJP	NA	NA
+MJ097212	Doramectin 	C50H74O14	898.507857	NA	MeJP	NA	NA
+PJ071603	SPVERRR 	C36H66N16O11	898.5097	NA	PeJP	NA	NA
+PJ071604	GGGAPTKRR 	C36H66N16O11	898.5098	NA	PeJP	NA	NA
+PJ071605	PPLKKMW 	C44H70N10O8S	898.5099	NA	PeJP	NA	NA
+PJ071606	TTTTLLLH 	C40H70N10O13	898.5124	NA	PeJP	NA	NA
+PJ071607	APTLRRW 	C41H66N14O9	898.5138	NA	PeJP	NA	NA
+PJ071608	SLLLKYY 	C45H70N8O11	898.5164	NA	PeJP	NA	NA
+PJ071609	APPLLLEF 	C45H70N8O11	898.5165	NA	PeJP	NA	NA
+PJ071610	PVLQMRR 	C38H70N14O9S	898.5171	NA	PeJP	NA	NA
+PJ071611	APLLLLEM 	C42H74N8O11S	898.5198	NA	PeJP	NA	NA
+PJ071612	GVQQRRR 	C35H66N18O10	898.521	NA	PeJP	NA	NA
+PJ071613	LLLQQER 	C39H70N12O12	898.5236	NA	PeJP	NA	NA
+PJ071614	PLKKEER 	C39H70N12O12	898.5237	NA	PeJP	NA	NA
+PJ071615	APPFRRR 	C40H66N16O8	898.525	NA	PeJP	NA	NA
+PJ071616	PVLKKEW 	C44H70N10O10	898.5277	NA	PeJP	NA	NA
+PJ071617	APLMRRR 	C37H70N16O8S	898.5284	NA	PeJP	NA	NA
+MJ097213	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-L-arabinopyranoside] 	C47H78O16	898.528986	NA	MeJP	NA	NA
+MJ097214	Pregn-5-ene-3,11,12,14,20-pentol, 20-O-(3-Methylbutanoyl), 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H78O16	898.528986	NA	MeJP	NA	NA
+MJ097215	Stigmasta-7,22-dien-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C47H78O16	898.528986	NA	MeJP	NA	NA
+PJ071618	SPPVLKKM 	C41H74N10O10S	898.5311	NA	PeJP	NA	NA
+PJ071619	VVLKFFF 	C49H70N8O8	898.5317	NA	PeJP	NA	NA
+PJ071620	QQRRRR 	C34H66N20O9	898.5322	NA	PeJP	NA	NA
+PJ071621	PTLKERR 	C38H70N14O11	898.5349	NA	PeJP	NA	NA
+PJ071622	KHFRRR 	C39H66N18O7	898.5362	NA	PeJP	NA	NA
+PJ071623	GLLLLLEE 	C42H74N8O13	898.5376	NA	PeJP	NA	NA
+MJ097216	Cangorosin B 	C58H74O8	898.538369	NA	MeJP	NA	NA
+MJ097217	Xuxuarine F? 	C58H74O8	898.538369	NA	MeJP	NA	NA
+MJ097218	Xuxuarine G? 	C58H74O8	898.538369	NA	MeJP	NA	NA
+PJ071624	SPLLKRW 	C43H70N12O9	898.5389	NA	PeJP	NA	NA
+MJ097219	Foromacidin A; 3-Propanoyl 	C46H78N2O15	898.540219	NA	MeJP	NA	NA
+PJ071625	AAPLLKMR 	C40H74N12O9S	898.5423	NA	PeJP	NA	NA
+PJ071626	GLLERRR 	C37H70N16O10	898.5461	NA	PeJP	NA	NA
+PJ071627	APTLLKKE 	C41H74N10O12	898.5488	NA	PeJP	NA	NA
+PJ071628	GVLLRRW 	C42H70N14O8	898.5502	NA	PeJP	NA	NA
+PJ071629	LLLLLEW 	C46H74N8O10	898.5528	NA	PeJP	NA	NA
+PJ071630	PVLKMRR 	C39H74N14O8S	898.5535	NA	PeJP	NA	NA
+PJ071631	SPLLLLLM 	C43H78N8O10S	898.5562	NA	PeJP	NA	NA
+PJ071632	GVQKRRR 	C36H70N18O9	898.5574	NA	PeJP	NA	NA
+PJ071633	LLLQKER 	C40H74N12O11	898.56	NA	PeJP	NA	NA
+PJ071634	GALLLKER 	C40H74N12O11	898.5601	NA	PeJP	NA	NA
+PJ071635	LLRRRW 	C41H70N16O7	898.5614	NA	PeJP	NA	NA
+PJ071636	VLLLQKW 	C45H74N10O9	898.5641	NA	PeJP	NA	NA
+PJ071637	GPLLLKKM 	C42H78N10O9S	898.5674	NA	PeJP	NA	NA
+PJ071638	QKRRRR 	C35H70N20O8	898.5686	NA	PeJP	NA	NA
+MJ097220	Ritterazine B 	C54H78N2O9	898.570732	NA	MeJP	NA	NA
+MJ097221	Ritterazine C 	C54H78N2O9	898.570732	NA	MeJP	NA	NA
+PJ071639	VVLKERR 	C39H74N14O10	898.5713	NA	PeJP	NA	NA
+PJ071640	SVLLLLLE 	C43H78N8O12	898.574	NA	PeJP	NA	NA
+PJ071641	ALLLKRW 	C44H74N12O8	898.5753	NA	PeJP	NA	NA
+PJ071642	SVLLRRR 	C38H74N16O9	898.5825	NA	PeJP	NA	NA
+PJ071643	GVLLLKKE 	C42H78N10O11	898.5852	NA	PeJP	NA	NA
+PJ071644	APLLLLLF 	C47H78N8O9	898.5892	NA	PeJP	NA	NA
+PJ071645	ALLLLLLM 	C44H82N8O9S	898.5926	NA	PeJP	NA	NA
+PJ071646	GVKKRRR 	C37H74N18O8	898.5938	NA	PeJP	NA	NA
+PJ071647	LLLKKER 	C41H78N12O10	898.5964	NA	PeJP	NA	NA
+PJ071648	VLLLKKW 	C46H78N10O8	898.6005	NA	PeJP	NA	NA
+PJ071649	KKRRRR 	C36H74N20O7	898.605	NA	PeJP	NA	NA
+PJ071650	TLLLKRR 	C40H78N14O9	898.6077	NA	PeJP	NA	NA
+PJ071651	TTLLLLLL 	C44H82N8O11	898.6103	NA	PeJP	NA	NA
+PJ071652	ALKKKRR 	C39H78N16O8	898.6189	NA	PeJP	NA	NA
+PJ071653	ATLLLLKK 	C43H82N10O10	898.6216	NA	PeJP	NA	NA
+PJ071654	AALLKKKK 	C42H82N12O9	898.6328	NA	PeJP	NA	NA
+PJ071655	VLKKKKR 	C41H82N14O8	898.644	NA	PeJP	NA	NA
+MJ097222	13-Hydroxyingenol; 6?,7?-Epoxide, 3-O-(2,3-dimethylbutanoyl), 13-O-dodecanoyl, 20-O-hexadecanoyl 	C54H90O10	898.653399	NA	MeJP	NA	NA
+MJ097223	1',2'-Dihydro-?-caroten-1'-ol; O-(6-Dodecanoyl-?-D-glucopyranoside) 	C58H90O7	898.668655	NA	MeJP	NA	NA
+MJ097224	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 3,4-Epoxide, 1-O-?-glucopyranoside 	C51H94O12	898.674528	NA	MeJP	NA	NA
+MJ097225	3,7,11,15,19,23,27-Heptamethyl-30-[tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-2,6,10-triacontatriene-1,15,19,23,27-pentol; 1-O-?-D-Mannopyranoside 	C51H94O12	898.674528	NA	MeJP	NA	NA
+HMDB10508	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C59H94O6	898.705017	NA	HMDB2010	NA	NA
+HMDB10513	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3]	C59H94O6	898.705017	NA	HMDB2010	NA	NA
+MJ097226	Ioglucomide 	C20H28I3N3O13	898.875618	NA	MeJP	NA	NA
+PJ071656	GCCCCCCCC 	C26H45N9O10S8	899.1056	NA	PeJP	NA	NA
+C15524	Phenylglyoxylyl-CoA	C29H40N7O18P3S	899.1363	NA	KEGG	NA	NA
+MetaCyc04274	2'-(5-phosphoribosyl)-3'-dephospho-CoA''$$$''$$$2-5-phosphoribosyl-3-dephospho-CoA;'' []	C26H44N7O20P3S1	899.157467	NA	metacyc	NA	NA
+MetaCyc04275	3-phenylpropionyl-CoA [dihydrocinnamoyl-CoA;]	C30H44N7O17P3S1	899.172723	NA	metacyc	NA	NA
+PJ071657	CCCCCNDH 	C29H45N11O12S5	899.1853	NA	PeJP	NA	NA
+PJ071658	GPPCCCCCD 	C31H49N9O12S5	899.2105	NA	PeJP	NA	NA
+PJ071659	CCCNNNDD 	C29H45N11O16S3	899.2208	NA	PeJP	NA	NA
+PJ071660	GGGGGGCCCDD 	C29H45N11O16S3	899.2209	NA	PeJP	NA	NA
+PJ071661	SCCCCNMH 	C30H49N11O11S5	899.2217	NA	PeJP	NA	NA
+PJ071662	SCCNDDDE 	C30H45N9O19S2	899.2273	NA	PeJP	NA	NA
+PJ071663	GGSCCDDDE 	C30H45N9O19S2	899.2274	NA	PeJP	NA	NA
+PJ071664	PCCCNDDM 	C31H49N9O14S4	899.2282	NA	PeJP	NA	NA
+PJ071665	CCCDMYY 	C36H49N7O12S4	899.2322	NA	PeJP	NA	NA
+PJ071666	GSSTCCCCH 	C30H49N11O13S4	899.2395	NA	PeJP	NA	NA
+PJ071667	GSCCDDDW 	C34H45N9O16S2	899.2426	NA	PeJP	NA	NA
+PJ071668	GPCCCCEW 	C35H49N9O11S4	899.2435	NA	PeJP	NA	NA
+PJ071669	GSSSCDDDD 	C30H45N9O21S	899.2451	NA	PeJP	NA	NA
+PJ071670	GCNDDDMM 	C31H49N9O16S3	899.246	NA	PeJP	NA	NA
+PJ071671	APPTCCCCC 	C32H53N9O11S5	899.2468	NA	PeJP	NA	NA
+PJ071672	GSPPCCCCM 	C32H53N9O11S5	899.2469	NA	PeJP	NA	NA
+PJ071673	CCCMMFY 	C37H53N7O9S5	899.2509	NA	PeJP	NA	NA
+PJ071674	GCCCCQHF 	C34H49N11O10S4	899.2547	NA	PeJP	NA	NA
+PJ071675	GCCCDDER 	C30H49N11O15S3	899.2572	NA	PeJP	NA	NA
+PJ071676	TCCCCCKH 	C31H53N11O10S5	899.2581	NA	PeJP	NA	NA
+PJ071677	PCCCCWW 	C39H49N9O8S4	899.2587	NA	PeJP	NA	NA
+PJ071678	GCNDDDDF 	C34H45N9O18S	899.2604	NA	PeJP	NA	NA
+PJ071679	CCNDEMW 	C35H49N9O13S3	899.2612	NA	PeJP	NA	NA
+PJ071680	SSCNDDEM 	C31H49N9O18S2	899.2637	NA	PeJP	NA	NA
+PJ071681	SPCCNDMM 	C32H53N9O13S4	899.2646	NA	PeJP	NA	NA
+PJ071682	GCCNDDHH 	C32H45N13O14S2	899.2651	NA	PeJP	NA	NA
+PJ071683	CCCDFFY 	C40H49N7O11S3	899.2653	NA	PeJP	NA	NA
+PJ071684	DDDDEEY 	C35H45N7O21	899.2669	NA	PeJP	NA	NA
+PJ071685	SCCMMYY 	C37H53N7O11S4	899.2686	NA	PeJP	NA	NA
+MJ097227	2-Hydroxy-2-(3-hydroxyphenyl)acetic acid, Nitrile, 2-O-[[5-O-[4-?-D-(glucopyranosyl)caffeoyl]-?-D-apiofuranosyl]-(1?4)-?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H49NO23	899.269536	NA	MeJP	NA	NA
+PJ071686	DDEEMMM 	C33H53N7O16S3	899.2711	NA	PeJP	NA	NA
+PJ071687	CCCDDRW 	C34H49N11O12S3	899.2725	NA	PeJP	NA	NA
+PJ071688	SSCCDDDR 	C30H49N11O17S2	899.275	NA	PeJP	NA	NA
+PJ071689	SPCCCCER 	C31H53N11O12S4	899.2758	NA	PeJP	NA	NA
+PJ071690	GGGGGCCQMM 	C31H53N11O12S4	899.2759	NA	PeJP	NA	NA
+PJ071691	GCCDMWW 	C39H49N9O10S3	899.2765	NA	PeJP	NA	NA
+PJ071692	GSNDDDDY 	C34H45N9O20	899.2781	NA	PeJP	NA	NA
+PJ071693	GSSCDDMW 	C35H49N9O15S2	899.279	NA	PeJP	NA	NA
+PJ071694	GPTCCCMW 	C36H53N9O10S4	899.2799	NA	PeJP	NA	NA
+PJ071695	GSSSSDDDM 	C31H49N9O20S	899.2815	NA	PeJP	NA	NA
+PJ071696	GSNDDMMM 	C32H53N9O15S3	899.2824	NA	PeJP	NA	NA
+PJ071697	GCCEYYY 	C40H49N7O13S2	899.283	NA	PeJP	NA	NA
+PJ071698	GPCCQMMM 	C33H57N9O10S5	899.2832	NA	PeJP	NA	NA
+PJ071699	SPCCCNHH 	C33H49N13O11S3	899.2837	NA	PeJP	NA	NA
+PJ071700	CCCMFFF 	C41H53N7O8S4	899.2839	NA	PeJP	NA	NA
+PJ071701	DDDEEMF 	C36H49N7O18S	899.2855	NA	PeJP	NA	NA
+PJ071702	GCCCNNMR 	C30H53N13O11S4	899.2871	NA	PeJP	NA	NA
+MJ097228	1,2,4,6,8,9,14-Heptahydroxydihydro-?-agarofuran, 1,2,8-Tris(3-pyridinecarbonyl), 6,9-dibenzoyl, 14-Ac 	C49H45N3O14	899.290153	NA	MeJP	NA	NA
+PJ071703	SSSCCNNW 	C34H49N11O14S2	899.2902	NA	PeJP	NA	NA
+PJ071704	GGGGGGGCCEF 	C34H49N11O14S2	899.2903	NA	PeJP	NA	NA
+PJ071705	GCCCCKHF 	C35H53N11O9S4	899.2911	NA	PeJP	NA	NA
+PJ071706	SSSSSCNND 	C30H49N11O19S	899.2927	NA	PeJP	NA	NA
+PJ071707	GSCCDEMR 	C31H53N11O14S3	899.2936	NA	PeJP	NA	NA
+PJ071708	SSCCEWW 	C39H49N9O12S2	899.2942	NA	PeJP	NA	NA
+PJ071709	GGPCCDYW 	C39H49N9O12S2	899.2943	NA	PeJP	NA	NA
+PJ071710	GPCCCMMR 	C32H57N11O9S5	899.2945	NA	PeJP	NA	NA
+PJ071711	SSSSCDEW 	C35H49N9O17S	899.2967	NA	PeJP	NA	NA
+PJ071712	GGNDDEMY 	C35H49N9O17S	899.2968	NA	PeJP	NA	NA
+PJ071713	SCNEMMW 	C36H53N9O12S3	899.2976	NA	PeJP	NA	NA
+PJ071714	CCYYYW 	C44H49N7O10S2	899.2983	NA	PeJP	NA	NA
+PJ071715	SSSSSSDDE 	C31H49N9O22	899.2992	NA	PeJP	NA	NA
+PJ071716	SSSNDEMM 	C32H53N9O17S2	899.3001	NA	PeJP	NA	NA
+PJ071717	GNNNDDDH 	C32H45N13O18	899.3006	NA	PeJP	NA	NA
+PJ071718	SSCDYYY 	C40H49N7O15S	899.3007	NA	PeJP	NA	NA
+PJ071719	NNEMMMM 	C33H57N9O12S4	899.301	NA	PeJP	NA	NA
+PJ071720	GSCNDMHH 	C33H49N13O13S2	899.3015	NA	PeJP	NA	NA
+PJ071721	ACCMFYY 	C41H53N7O10S3	899.3016	NA	PeJP	NA	NA
+PJ071722	SDEEEEY 	C36H49N7O20	899.3033	NA	PeJP	NA	NA
+PJ071723	PDDEMMY 	C37H53N7O15S2	899.3041	NA	PeJP	NA	NA
+PJ071724	DDDDHHF 	C37H45N11O16	899.3046	NA	PeJP	NA	NA
+PJ071725	SSCCCNQR 	C30H53N13O13S3	899.3048	NA	PeJP	NA	NA
+PJ071726	CCNNNFW 	C38H49N11O11S2	899.3055	NA	PeJP	NA	NA
+PJ071727	TEEEMMM 	C34H57N7O15S3	899.3075	NA	PeJP	NA	NA
+PJ071728	CNDDDRY 	C34H49N11O16S	899.308	NA	PeJP	NA	NA
+PJ071729	PEMMMMM 	C35H61N7O10S5	899.3084	NA	PeJP	NA	NA
+PJ071730	SCCDMRW 	C35H53N11O11S3	899.3088	NA	PeJP	NA	NA
+PJ071731	TCCCERW 	C35H53N11O11S3	899.3089	NA	PeJP	NA	NA
+PJ071732	CDDHHHH 	C35H45N15O12S	899.3093	NA	PeJP	NA	NA
+PJ071733	GSSSSCNQM 	C31H53N11O16S2	899.3113	NA	PeJP	NA	NA
+PJ071734	SSSCDDMR 	C31H53N11O16S2	899.3114	NA	PeJP	NA	NA
+PJ071735	GNDDMYW 	C39H49N9O14S	899.312	NA	PeJP	NA	NA
+PJ071736	CNDMMMR 	C32H57N11O11S4	899.3122	NA	PeJP	NA	NA
+PJ071737	GSCMMWW 	C40H53N9O9S3	899.3129	NA	PeJP	NA	NA
+PJ071738	GSSNDEEY 	C35H49N9O19	899.3145	NA	PeJP	NA	NA
+PJ071739	GSSSDMMW 	C36H53N9O14S2	899.3154	NA	PeJP	NA	NA
+PJ071740	GNMMMMW 	C37H57N9O9S4	899.3162	NA	PeJP	NA	NA
+PJ071741	GGGMMMMW 	C37H57N9O9S4	899.3163	NA	PeJP	NA	NA
+PJ071742	SCCQHHW 	C37H49N13O10S2	899.3167	NA	PeJP	NA	NA
+PJ071743	GSSSSSEEM 	C32H53N9O19S	899.3179	NA	PeJP	NA	NA
+PJ071744	PDDDEFY 	C40H49N7O17	899.3185	NA	PeJP	NA	NA
+PJ071745	GSSQEMMM 	C33H57N9O14S3	899.3187	NA	PeJP	NA	NA
+PJ071746	GGGSTEMMM 	C33H57N9O14S3	899.3188	NA	PeJP	NA	NA
+PJ071747	SSSCNEHH 	C33H49N13O15S	899.3192	NA	PeJP	NA	NA
+PJ071748	GTCMYYY 	C41H53N7O12S2	899.3194	NA	PeJP	NA	NA
+PJ071749	GPCCKMMM 	C34H61N9O9S5	899.3196	NA	PeJP	NA	NA
+PJ071750	CNQMMHH 	C34H53N13O10S3	899.3201	NA	PeJP	NA	NA
+PJ071751	AEEEEMY 	C37H53N7O17S	899.3219	NA	PeJP	NA	NA
+PJ071752	GSSSSCCNR 	C30H53N13O15S2	899.3226	NA	PeJP	NA	NA
+PJ071753	PDEMMMF 	C38H57N7O12S3	899.3228	NA	PeJP	NA	NA
+PJ071754	SCNNNYW 	C38H49N11O13S	899.3232	NA	PeJP	NA	NA
+PJ071755	GGGGGGSCYW 	C38H49N11O13S	899.3233	NA	PeJP	NA	NA
+PJ071756	CCCEMRR 	C31H57N13O10S4	899.3235	NA	PeJP	NA	NA
+PJ071757	SSSNNNDY 	C34H49N11O18	899.3257	NA	PeJP	NA	NA
+PJ071758	GGGGGGSSSDY 	C34H49N11O18	899.3258	NA	PeJP	NA	NA
+PJ071759	VEEMMMM 	C35H61N7O12S4	899.3261	NA	PeJP	NA	NA
+PJ071760	GSPCCDRY 	C35H53N11O13S2	899.3266	NA	PeJP	NA	NA
+PJ071761	CNEYWW 	C43H49N9O11S	899.3273	NA	PeJP	NA	NA
+PJ071762	ACCMMRW 	C36H57N11O8S4	899.3275	NA	PeJP	NA	NA
+PJ071763	SSSSSSNNM 	C31H53N11O18S	899.3291	NA	PeJP	NA	NA
+PJ071764	SSDEHYY 	C39H49N9O16	899.3297	NA	PeJP	NA	NA
+PJ071765	SSNDEYW 	C39H49N9O16	899.3298	NA	PeJP	NA	NA
+PJ071766	GSSCEMMR 	C32H57N11O13S3	899.33	NA	PeJP	NA	NA
+PJ071767	GCNNNNQH 	C32H49N15O14S	899.3304	NA	PeJP	NA	NA
+PJ071768	GGGCNNNQH 	C32H49N15O14S	899.3305	NA	PeJP	NA	NA
+PJ071769	SSTCMWW 	C40H53N9O11S2	899.3306	NA	PeJP	NA	NA
+PJ071770	CCNMHHR 	C33H53N15O9S3	899.3313	NA	PeJP	NA	NA
+PJ071771	SSSSSEMW 	C36H53N9O16S	899.3331	NA	PeJP	NA	NA
+PJ071772	GGPPPDDDM 	C36H53N9O16S	899.3332	NA	PeJP	NA	NA
+PJ071773	NDYYYY 	C44H49N7O14	899.3338	NA	PeJP	NA	NA
+PJ071774	SSQMMMW 	C37H57N9O11S3	899.334	NA	PeJP	NA	NA
+PJ071775	GSSSCHHW 	C37H49N13O12S	899.3345	NA	PeJP	NA	NA
+PJ071776	ACCFFFY 	C45H53N7O9S2	899.3346	NA	PeJP	NA	NA
+PJ071777	SSSSSSTEE 	C32H53N9O21	899.3356	NA	PeJP	NA	NA
+PJ071778	SSSTQEMM 	C33H57N9O16S2	899.3365	NA	PeJP	NA	NA
+PJ071779	NDDDEHR 	C33H49N13O17	899.337	NA	PeJP	NA	NA
+PJ071780	SSSMYYY 	C41H53N7O14S	899.3371	NA	PeJP	NA	NA
+PJ071781	PPDDMYY 	C41H53N7O14S	899.3372	NA	PeJP	NA	NA
+PJ071782	NDKMMMM 	C34H61N9O11S4	899.3374	NA	PeJP	NA	NA
+PJ071783	CCNNQRY 	C34H53N13O12S2	899.3378	NA	PeJP	NA	NA
+PJ071784	GGGACCNRY 	C34H53N13O12S2	899.3379	NA	PeJP	NA	NA
+PJ071785	GPCDHWW 	C42H49N11O10S	899.3385	NA	PeJP	NA	NA
+PJ071786	TTEEEEY 	C37H53N7O19	899.3396	NA	PeJP	NA	NA
+PJ071787	PTEEMMY 	C38H57N7O14S2	899.3405	NA	PeJP	NA	NA
+PJ071788	GNEEEHW 	C38H49N11O15	899.341	NA	PeJP	NA	NA
+PJ071789	SSCCCNKR 	C31H57N13O12S3	899.3412	NA	PeJP	NA	NA
+PJ071790	PPMMMMY 	C39H61N7O9S4	899.3414	NA	PeJP	NA	NA
+PJ071791	GCCEFRW 	C39H53N11O10S2	899.3419	NA	PeJP	NA	NA
+PJ071792	GCYWWW 	C47H49N9O8S	899.3425	NA	PeJP	NA	NA
+PJ071793	SNDDMRY 	C35H53N11O15S	899.3444	NA	PeJP	NA	NA
+PJ071794	GSSDYWW 	C43H49N9O13	899.345	NA	PeJP	NA	NA
+PJ071795	SSCMMRW 	C36H57N11O10S3	899.3452	NA	PeJP	NA	NA
+PJ071796	GGAPPCMMH 	C36H57N11O10S3	899.3453	NA	PeJP	NA	NA
+PJ071797	SDMHHHH 	C36H49N15O11S	899.3457	NA	PeJP	NA	NA
+PJ071798	CQMFWW 	C44H53N9O8S2	899.3459	NA	PeJP	NA	NA
+PJ071799	GSSSSSSSSQ 	C31H53N11O20	899.3469	NA	PeJP	NA	NA
+PJ071800	SSSSDMMR 	C32H57N11O15S2	899.3477	NA	PeJP	NA	NA
+PJ071801	SSNNNNNH 	C32H49N15O16	899.3482	NA	PeJP	NA	NA
+MJ097229	Mureidomycin A; N13-Glycyl, 5'',6''-dihydro 	C40H53N9O13S	899.348353	NA	MeJP	NA	NA
+PJ071802	GSQEMYW 	C40H53N9O13S	899.3484	NA	PeJP	NA	NA
+PJ071803	SNMMMMR 	C33H61N11O10S4	899.3486	NA	PeJP	NA	NA
+PJ071804	GSTCCHHR 	C33H53N15O11S2	899.3491	NA	PeJP	NA	NA
+PJ071805	GMMMHFF 	C41H57N9O8S3	899.3493	NA	PeJP	NA	NA
+PJ071806	GCNHHFW 	C41H49N13O9S	899.3497	NA	PeJP	NA	NA
+PJ071807	GSSTQEEY 	C36H53N9O18	899.3509	NA	PeJP	NA	NA
+PJ071808	GSSTTMMW 	C37H57N9O13S2	899.3518	NA	PeJP	NA	NA
+PJ071809	GDDDHRW 	C37H49N13O14	899.3522	NA	PeJP	NA	NA
+PJ071810	GGGGGGSEHW 	C37H49N13O14	899.3523	NA	PeJP	NA	NA
+PJ071811	NMFYYY 	C45H53N7O11S	899.3524	NA	PeJP	NA	NA
+PJ071812	ACKMMMW 	C38H61N9O8S4	899.3526	NA	PeJP	NA	NA
+PJ071813	SCCKHHW 	C38H53N13O9S2	899.3531	NA	PeJP	NA	NA
+PJ071814	ASSSSTTEM 	C33H57N9O18S	899.3542	NA	PeJP	NA	NA
+PJ071815	GSSSTTTEM 	C33H57N9O18S	899.3543	NA	PeJP	NA	NA
+PJ071816	APEEEYY 	C41H53N7O16	899.3549	NA	PeJP	NA	NA
+PJ071817	GSSKEMMM 	C34H61N9O13S3	899.3551	NA	PeJP	NA	NA
+PJ071818	GSSCNNRY 	C34H53N13O14S	899.3556	NA	PeJP	NA	NA
+PJ071819	PPDMMFY 	C42H57N7O11S2	899.3558	NA	PeJP	NA	NA
+PJ071820	NEEHWW 	C42H49N11O12	899.3563	NA	PeJP	NA	NA
+PJ071821	PCCCRRY 	C35H57N13O9S3	899.3565	NA	PeJP	NA	NA
+PJ071822	CCFRWW 	C43H53N11O7S2	899.3571	NA	PeJP	NA	NA
+PJ071823	SLEEEMY 	C38H57N7O16S	899.3583	NA	PeJP	NA	NA
+PJ071824	PVEMMMY 	C39H61N7O11S3	899.3592	NA	PeJP	NA	NA
+PJ071825	GSCERYW 	C39H53N11O12S	899.3596	NA	PeJP	NA	NA
+PJ071826	GGGGGGGGMFF 	C39H53N11O12S	899.3597	NA	PeJP	NA	NA
+PJ071827	TCCMMRR 	C32H61N13O9S4	899.3598	NA	PeJP	NA	NA
+PJ071828	GCCCCKKR 	C32H61N13O9S4	899.3599	NA	PeJP	NA	NA
+PJ071829	GSSSDERY 	C35H53N11O17	899.3621	NA	PeJP	NA	NA
+PJ071830	GGGGGGSPPEE 	C35H53N11O17	899.3622	NA	PeJP	NA	NA
+PJ071831	GNEMMRY 	C36H57N11O12S2	899.363	NA	PeJP	NA	NA
+PJ071832	GSPNDHHH 	C36H49N15O13	899.3635	NA	PeJP	NA	NA
+PJ071833	SQMYWW 	C44H53N9O10S	899.3636	NA	PeJP	NA	NA
+PJ071834	GGAPCFYW 	C44H53N9O10S	899.3637	NA	PeJP	NA	NA
+PJ071835	AMMHHHH 	C37H53N15O8S2	899.3643	NA	PeJP	NA	NA
+PJ071836	SSSSSSCQK 	C32H57N11O17S	899.3655	NA	PeJP	NA	NA
+PJ071837	SSTQEYW 	C40H53N9O15	899.3661	NA	PeJP	NA	NA
+PJ071838	PPNEEEW 	C40H53N9O15	899.3662	NA	PeJP	NA	NA
+PJ071839	GSSTMMMR 	C33H61N11O12S3	899.3664	NA	PeJP	NA	NA
+PJ071840	SSSSCHHR 	C33H53N15O13S	899.3668	NA	PeJP	NA	NA
+PJ071841	GGGGNDMHR 	C33H53N15O13S	899.3669	NA	PeJP	NA	NA
+PJ071842	AAQMMYW 	C41H57N9O10S2	899.367	NA	PeJP	NA	NA
+PJ071843	GSNNHWW 	C41H49N13O11	899.3675	NA	PeJP	NA	NA
+PJ071844	SSSTTTMW 	C37H57N9O15S	899.3695	NA	PeJP	NA	NA
+PJ071845	TQYYYY 	C45H53N7O13	899.3701	NA	PeJP	NA	NA
+PJ071846	GATYYYY 	C45H53N7O13	899.3702	NA	PeJP	NA	NA
+PJ071847	SSKMMMW 	C38H61N9O10S3	899.3704	NA	PeJP	NA	NA
+PJ071848	ANNQMHW 	C38H53N13O11S	899.3708	NA	PeJP	NA	NA
+PJ071849	SPCDHRW 	C38H53N13O11S	899.3709	NA	PeJP	NA	NA
+PJ071850	GEHWWW 	C46H49N11O9	899.3715	NA	PeJP	NA	NA
+PJ071851	SSSSTTTTE 	C33H57N9O20	899.372	NA	PeJP	NA	NA
+PJ071852	SSSTKEMM 	C34H61N9O15S2	899.3729	NA	PeJP	NA	NA
+PJ071853	ASSSSSTHH 	C34H53N13O16	899.3733	NA	PeJP	NA	NA
+PJ071854	SNEEEHR 	C34H53N13O16	899.3734	NA	PeJP	NA	NA
+PJ071855	PPTEMYY 	C42H57N7O13S	899.3735	NA	PeJP	NA	NA
+PJ071856	TQKMMMM 	C35H65N9O10S4	899.3738	NA	PeJP	NA	NA
+PJ071857	GCDMRRY 	C35H57N13O11S2	899.3742	NA	PeJP	NA	NA
+PJ071858	GGGGPPPCCR 	C35H57N13O11S2	899.3743	NA	PeJP	NA	NA
+PJ071859	PPMMMFF 	C43H61N7O8S3	899.3744	NA	PeJP	NA	NA
+PJ071860	NNNQHHH 	C35H49N17O12	899.3747	NA	PeJP	NA	NA
+PJ071861	SCRYWW 	C43H53N11O9S	899.3749	NA	PeJP	NA	NA
+PJ071862	VVEEMMY 	C39H61N7O13S2	899.3769	NA	PeJP	NA	NA
+PJ071863	SSSDRYW 	C39H53N11O14	899.3774	NA	PeJP	NA	NA
+PJ071864	PLMMMMF 	C40H65N7O8S4	899.3778	NA	PeJP	NA	NA
+PJ071865	NMMRYW 	C40H57N11O9S2	899.3782	NA	PeJP	NA	NA
+PJ071866	GGMMRYW 	C40H57N11O9S2	899.3783	NA	PeJP	NA	NA
+PJ071867	GEHHHHF 	C40H49N15O10	899.3787	NA	PeJP	NA	NA
+PJ071868	SSQEMRY 	C36H57N11O14S	899.3807	NA	PeJP	NA	NA
+PJ071869	GGSTEMRY 	C36H57N11O14S	899.3808	NA	PeJP	NA	NA
+PJ071870	LLMMMMM 	C37H69N7O8S5	899.3812	NA	PeJP	NA	NA
+PJ071871	GSTTYWW 	C44H53N9O12	899.3814	NA	PeJP	NA	NA
+PJ071872	PCCKMRY 	C37H61N11O9S3	899.3816	NA	PeJP	NA	NA
+PJ071873	GCNQHRW 	C37H53N15O10S	899.3821	NA	PeJP	NA	NA
+PJ071874	CKMFWW 	C45H57N9O7S2	899.3823	NA	PeJP	NA	NA
+PJ071875	GSSSSSSSSK 	C32H57N11O19	899.3832	NA	PeJP	NA	NA
+PJ071876	SSSTTMMR 	C33H61N11O14S2	899.3841	NA	PeJP	NA	NA
+PJ071877	SDDDHRR 	C33H53N15O15	899.3846	NA	PeJP	NA	NA
+PJ071878	GSKEMYW 	C41H57N9O12S	899.3848	NA	PeJP	NA	NA
+PJ071879	TCKMMMR 	C34H65N11O9S4	899.385	NA	PeJP	NA	NA
+PJ071880	NFFFYY 	C49H53N7O10	899.3854	NA	PeJP	NA	NA
+PJ071881	PCCEHRR 	C34H57N15O10S2	899.3855	NA	PeJP	NA	NA
+PJ071882	HWWWW 	C50H49N11O6	899.3868	NA	PeJP	NA	NA
+PJ071883	GSSTKEEY 	C37H57N9O17	899.3873	NA	PeJP	NA	NA
+PJ071884	AQKEMMY 	C38H61N9O12S2	899.3881	NA	PeJP	NA	NA
+PJ071885	GAAKEMMY 	C38H61N9O12S2	899.3882	NA	PeJP	NA	NA
+PJ071886	GSEEHRW 	C38H53N13O13	899.3886	NA	PeJP	NA	NA
+PJ071887	GGGGGGGGAAPW 	C38H53N13O13	899.3887	NA	PeJP	NA	NA
+PJ071888	PPDMFFF 	C46H57N7O10S	899.3888	NA	PeJP	NA	NA
+PJ071889	APCMHRW 	C39H57N13O8S2	899.3895	NA	PeJP	NA	NA
+PJ071890	SSSSSTTLM 	C34H61N9O17S	899.3906	NA	PeJP	NA	NA
+PJ071891	SPLEEYY 	C42H57N7O15	899.3913	NA	PeJP	NA	NA
+PJ071892	GTTTKMMM 	C35H65N9O12S3	899.3915	NA	PeJP	NA	NA
+PJ071893	SSCERRY 	C35H57N13O13S	899.392	NA	PeJP	NA	NA
+PJ071894	PPVMMYY 	C43H61N7O10S2	899.3922	NA	PeJP	NA	NA
+PJ071895	DKEHWW 	C43H53N11O11	899.3926	NA	PeJP	NA	NA
+PJ071896	GGGGSPPWW 	C43H53N11O11	899.3927	NA	PeJP	NA	NA
+PJ071897	GCMMFRR 	C36H61N13O8S3	899.3929	NA	PeJP	NA	NA
+PJ071898	PCNHHHR 	C36H53N17O9S	899.3933	NA	PeJP	NA	NA
+PJ071899	HHHHFW 	C44H49N15O7	899.394	NA	PeJP	NA	NA
+PJ071900	VLEMMMF 	C40H65N7O10S3	899.3955	NA	PeJP	NA	NA
+PJ071901	GSTMRYW 	C40H57N11O11S	899.396	NA	PeJP	NA	NA
+PJ071902	PPEWWW 	C48H53N9O9	899.3967	NA	PeJP	NA	NA
+PJ071903	GSSTTERY 	C36H57N11O16	899.3985	NA	PeJP	NA	NA
+PJ071904	GDKMMRY 	C37H61N11O11S2	899.3994	NA	PeJP	NA	NA
+PJ071905	SSNNHRW 	C37H53N15O12	899.3998	NA	PeJP	NA	NA
+PJ071906	GGSSNHRW 	C37H53N15O12	899.3999	NA	PeJP	NA	NA
+PJ071907	SKMYWW 	C45H57N9O9S	899.4	NA	PeJP	NA	NA
+PJ071908	SSSSSSCKK 	C33H61N11O16S	899.4019	NA	PeJP	NA	NA
+PJ071909	SSTKEYW 	C41H57N9O14	899.4025	NA	PeJP	NA	NA
+PJ071910	STCCCKKK 	C34H65N11O11S3	899.4028	NA	PeJP	NA	NA
+PJ071911	GDEMHRR 	C34H57N15O12S	899.4032	NA	PeJP	NA	NA
+PJ071912	AAKMMYW 	C42H61N9O9S2	899.4034	NA	PeJP	NA	NA
+PJ071913	SEHRWW 	C42H53N13O10	899.4039	NA	PeJP	NA	NA
+PJ071914	SDKKEMY 	C38H61N9O14S	899.4059	NA	PeJP	NA	NA
+PJ071915	TKYYYY 	C46H57N7O12	899.4065	NA	PeJP	NA	NA
+PJ071916	PPVDFYY 	C46H57N7O12	899.4066	NA	PeJP	NA	NA
+PJ071917	PCKKMMY 	C39H65N9O9S3	899.4068	NA	PeJP	NA	NA
+PJ071918	AAEMHRW 	C39H57N13O10S	899.4072	NA	PeJP	NA	NA
+PJ071919	GVDMHRW 	C39H57N13O10S	899.4073	NA	PeJP	NA	NA
+PJ071920	SVHWWW 	C47H53N11O8	899.4079	NA	PeJP	NA	NA
+PJ071921	SSTTTTTTT 	C34H61N9O19	899.4084	NA	PeJP	NA	NA
+PJ071922	STTTTKMM 	C35H65N9O14S2	899.4093	NA	PeJP	NA	NA
+PJ071923	TTQEEHR 	C35H57N13O15	899.4097	NA	PeJP	NA	NA
+PJ071924	SDKEEHR 	C35H57N13O15	899.4098	NA	PeJP	NA	NA
+PJ071925	PVVEMYY 	C43H61N7O12S	899.4099	NA	PeJP	NA	NA
+PJ071926	TKKMMMM 	C36H69N9O9S4	899.4101	NA	PeJP	NA	NA
+PJ071927	GSMMRRY 	C36H61N13O10S2	899.4106	NA	PeJP	NA	NA
+PJ071928	GQEHHHR 	C36H53N17O11	899.4111	NA	PeJP	NA	NA
+PJ071929	LQMHWW 	C44H57N11O8S	899.4113	NA	PeJP	NA	NA
+PJ071930	TLLEMMY 	C40H65N7O12S2	899.4133	NA	PeJP	NA	NA
+PJ071931	SSTTRYW 	C40H57N11O13	899.4138	NA	PeJP	NA	NA
+PJ071932	SCNQHRR 	C33H57N17O11S	899.4145	NA	PeJP	NA	NA
+PJ071933	APKMMHW 	C41H61N11O8S2	899.4146	NA	PeJP	NA	NA
+PJ071934	GVQHHHW 	C41H53N15O9	899.4151	NA	PeJP	NA	NA
+PJ071935	SSKEMRY 	C37H61N11O13S	899.4171	NA	PeJP	NA	NA
+PJ071936	GPPVDEMR 	C37H61N11O13S	899.4172	NA	PeJP	NA	NA
+MJ097230	Lyciumin; Lyciumin D 	C45H57N9O11	899.417753	NA	MeJP	NA	NA
+PJ071937	SPPVEWW 	C45H57N9O11	899.4178	NA	PeJP	NA	NA
+PJ071938	GKMMMFR 	C38H65N11O8S3	899.418	NA	PeJP	NA	NA
+PJ071939	DMHRRW 	C38H57N15O9S	899.4185	NA	PeJP	NA	NA
+7852	NA	YGGFMRGL	899.4194	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ071940	SSEEHRR 	C34H57N15O14	899.421	NA	PeJP	NA	NA
+PJ071941	ATTKMYW 	C42H61N9O11S	899.4211	NA	PeJP	NA	NA
+PJ071942	PPLQEMW 	C42H61N9O11S	899.4212	NA	PeJP	NA	NA
+PJ071943	PTCMHRR 	C35H61N15O9S2	899.4219	NA	PeJP	NA	NA
+PJ071944	CLHRWW 	C43H57N13O7S	899.4225	NA	PeJP	NA	NA
+PJ071945	SSSSLKEY 	C38H61N9O16	899.4236	NA	PeJP	NA	NA
+PJ071946	GTTTTKEY 	C38H61N9O16	899.4237	NA	PeJP	NA	NA
+PJ071947	AKKEMMY 	C39H65N9O11S2	899.4245	NA	PeJP	NA	NA
+PJ071948	ATTEHRW 	C39H57N13O12	899.425	NA	PeJP	NA	NA
+PJ071949	PPVMFFY 	C47H61N7O9S	899.4252	NA	PeJP	NA	NA
+PJ071950	QHHHRW 	C40H53N17O8	899.4263	NA	PeJP	NA	NA
+PJ071951	GAHHHRW 	C40H53N17O8	899.4264	NA	PeJP	NA	NA
+PJ071952	ALLEEYY 	C43H61N7O14	899.4277	NA	PeJP	NA	NA
+PJ071953	SSTMRRY 	C36H61N13O12S	899.4284	NA	PeJP	NA	NA
+PJ071954	PVLMMFY 	C44H65N7O9S2	899.4286	NA	PeJP	NA	NA
+PJ071955	GTTLHWW 	C44H57N11O10	899.429	NA	PeJP	NA	NA
+PJ071956	VLLMMMY 	C41H69N7O9S3	899.4319	NA	PeJP	NA	NA
+PJ071957	GSSSNHRR 	C33H57N17O13	899.4322	NA	PeJP	NA	NA
+PJ071958	PPVDMRW 	C41H61N11O10S	899.4324	NA	PeJP	NA	NA
+PJ071959	AKFYWW 	C49H57N9O8	899.433	NA	PeJP	NA	NA
+PJ071960	GVHFFFF 	C49H57N9O8	899.4331	NA	PeJP	NA	NA
+PJ071961	SSSSTLRY 	C37H61N11O15	899.4349	NA	PeJP	NA	NA
+PJ071962	ATKMMRY 	C38H65N11O10S2	899.4358	NA	PeJP	NA	NA
+PJ071963	GPNDRRW 	C38H57N15O11	899.4362	NA	PeJP	NA	NA
+PJ071964	GGGPDRRW 	C38H57N15O11	899.4363	NA	PeJP	NA	NA
+PJ071965	APPLMWW 	C46H61N9O8S	899.4364	NA	PeJP	NA	NA
+3415	ACE inhibitor	PANIKWGD	899.4368	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ071966	TTTTKYW 	C42H61N9O13	899.4389	NA	PeJP	NA	NA
+PJ071967	ATEMHRR 	C35H61N15O11S	899.4396	NA	PeJP	NA	NA
+PJ071968	PCKKMFF 	C43H65N9O8S2	899.4398	NA	PeJP	NA	NA
+PJ071969	PQQRWW 	C43H57N13O9	899.4403	NA	PeJP	NA	NA
+PJ071970	TTKKEMY 	C39H65N9O13S	899.4423	NA	PeJP	NA	NA
+PJ071971	PPVVYYY 	C47H61N7O11	899.4429	NA	PeJP	NA	NA
+PJ071972	CLKKMMF 	C40H69N9O8S3	899.4432	NA	PeJP	NA	NA
+PJ071973	GTLMHRW 	C40H61N13O9S	899.4436	NA	PeJP	NA	NA
+PJ071974	PKHFWW 	C48H57N11O7	899.4443	NA	PeJP	NA	NA
+PJ071975	PVDEERR 	C36H61N13O14	899.4461	NA	PeJP	NA	NA
+PJ071976	GGGGAPVTER 	C36H61N13O14	899.4462	NA	PeJP	NA	NA
+PJ071977	PTLLMYY 	C44H65N7O11S	899.4463	NA	PeJP	NA	NA
+PJ071978	PTKMMHR 	C37H65N13O9S2	899.447	NA	PeJP	NA	NA
+PJ071979	GNNHFRR 	C37H57N17O10	899.4475	NA	PeJP	NA	NA
+PJ071980	LKMHWW 	C45H61N11O7S	899.4477	NA	PeJP	NA	NA
+PJ071981	STLKEHW 	C41H61N11O12	899.4501	NA	PeJP	NA	NA
+PJ071982	APLEERW 	C41H61N11O12	899.4502	NA	PeJP	NA	NA
+PJ071983	SCNKHRR 	C34H61N17O10S	899.4508	NA	PeJP	NA	NA
+PJ071984	GGSCKHRR 	C34H61N17O10S	899.4509	NA	PeJP	NA	NA
+PJ071985	APPHHRW 	C42H57N15O8	899.4515	NA	PeJP	NA	NA
+PJ071986	TTTKMRY 	C38H65N11O12S	899.4535	NA	PeJP	NA	NA
+PJ071987	GGGGGAAPLLM 	C38H65N11O12S	899.4536	NA	PeJP	NA	NA
+PJ071988	GPLLEWW 	C46H61N9O10	899.4542	NA	PeJP	NA	NA
+PJ071989	CFRRRY 	C39H61N15O8S	899.4549	NA	PeJP	NA	NA
+PJ071990	VNQQQQR 	C35H61N15O13	899.4573	NA	PeJP	NA	NA
+PJ071991	TTTEHRR 	C35H61N15O13	899.4574	NA	PeJP	NA	NA
+PJ071992	APKKMYY 	C43H65N9O10S	899.4575	NA	PeJP	NA	NA
+PJ071993	PPLKEMW 	C43H65N9O10S	899.4576	NA	PeJP	NA	NA
+PJ071994	GLMMHRR 	C36H65N15O8S2	899.4582	NA	PeJP	NA	NA
+PJ071995	GTHHHRR 	C36H57N19O9	899.4587	NA	PeJP	NA	NA
+PJ071996	SSTTTLKY 	C39H65N9O15	899.46	NA	PeJP	NA	NA
+PJ071997	GPVLKEEE 	C39H65N9O15	899.4601	NA	PeJP	NA	NA
+PJ071998	SLKKMMY 	C40H69N9O10S2	899.4609	NA	PeJP	NA	NA
+PJ071999	STTLHRW 	C40H61N13O11	899.4614	NA	PeJP	NA	NA
+PJ072000	PVLMFFF 	C48H65N7O8S	899.4616	NA	PeJP	NA	NA
+PJ072001	KHHHRW 	C41H57N17O7	899.4627	NA	PeJP	NA	NA
+PJ072002	SLLLEYY 	C44H65N7O13	899.4641	NA	PeJP	NA	NA
+PJ072003	SLKEMHR 	C37H65N13O11S	899.4648	NA	PeJP	NA	NA
+PJ072004	VLLMMFF 	C45H69N7O8S2	899.4649	NA	PeJP	NA	NA
+PJ072005	GPVQKWW 	C45H61N11O9	899.4654	NA	PeJP	NA	NA
+PJ072006	SPNDRRR 	C34H61N17O12	899.4686	NA	PeJP	NA	NA
+PJ072007	PPTLMRW 	C42H65N11O9S	899.4688	NA	PeJP	NA	NA
+PJ072008	PLLWWW 	C50H61N9O7	899.4694	NA	PeJP	NA	NA
+PJ072009	PLKEEER 	C38H65N11O14	899.4713	NA	PeJP	NA	NA
+PJ072010	CCKKKKY 	C39H69N11O9S2	899.4722	NA	PeJP	NA	NA
+PJ072011	GPTQRRW 	C39H61N15O10	899.4726	NA	PeJP	NA	NA
+PJ072012	PVLKEEW 	C43H65N9O12	899.4753	NA	PeJP	NA	NA
+PJ072013	STLMHRR 	C36H65N15O10S	899.476	NA	PeJP	NA	NA
+PJ072014	PQKRWW 	C44H61N13O8	899.4766	NA	PeJP	NA	NA
+PJ072015	GAPKRWW 	C44H61N13O8	899.4767	NA	PeJP	NA	NA
+PJ072016	SPPVLKEM 	C40H69N9O12S	899.4787	NA	PeJP	NA	NA
+PJ072017	PVVLFYY 	C48H65N7O10	899.4793	NA	PeJP	NA	NA
+PJ072018	GNNQRRR 	C33H61N19O11	899.4798	NA	PeJP	NA	NA
+PJ072019	GGGGGQRRR 	C33H61N19O11	899.4799	NA	PeJP	NA	NA
+PJ072020	ACKKKHW 	C41H65N13O8S	899.48	NA	PeJP	NA	NA
+PJ072021	PTLEERR 	C37H65N13O13	899.4825	NA	PeJP	NA	NA
+PJ072022	GGGGGGGGALLK 	C37H65N13O13	899.4826	NA	PeJP	NA	NA
+PJ072023	VVLLMYY 	C45H69N7O10S	899.4827	NA	PeJP	NA	NA
+PJ072024	PPLMMRR 	C38H69N13O8S2	899.4834	NA	PeJP	NA	NA
+PJ072025	EHFRRR 	C38H61N17O9	899.4839	NA	PeJP	NA	NA
+PJ072026	SPLLERW 	C42H65N11O11	899.4865	NA	PeJP	NA	NA
+PJ072027	GGPVKKEW 	C42H65N11O11	899.4866	NA	PeJP	NA	NA
+PJ072028	GPQMRRR 	C35H65N17O9S	899.4872	NA	PeJP	NA	NA
+MJ097231	5-Spirosolene-3,23,27-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranoysl-(1?4)]-?-D-glucopyranoside] 	C45H73NO17	899.487849	NA	MeJP	NA	NA
+MJ097232	5-Spirosolene-3,23-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C45H73NO17	899.487849	NA	MeJP	NA	NA
+MJ097233	Alkaloid SN-c; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H73NO17	899.487849	NA	MeJP	NA	NA
+MJ097234	Leptinidine; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H73NO17	899.487849	NA	MeJP	NA	NA
+MJ097235	Spirosol-5-ene-3,12-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H73NO17	899.487849	NA	MeJP	NA	NA
+PJ072029	VHFRRW 	C43H61N15O7	899.4879	NA	PeJP	NA	NA
+PJ072030	AAPLLEMR 	C39H69N11O11S	899.4899	NA	PeJP	NA	NA
+PJ072031	SPVLLWW 	C47H65N9O9	899.4906	NA	PeJP	NA	NA
+PJ072032	SPQKERR 	C36H65N15O12	899.4937	NA	PeJP	NA	NA
+PJ072033	PTNKERR 	C36H65N15O12	899.4938	NA	PeJP	NA	NA
+PJ072034	PLLLQMW 	C44H69N9O9S	899.4939	NA	PeJP	NA	NA
+PJ072035	APTLLKEE 	C40H69N9O14	899.4964	NA	PeJP	NA	NA
+PJ072036	GGGLLLLEE 	C40H69N9O14	899.4965	NA	PeJP	NA	NA
+PJ072037	APPLLKMM 	C41H73N9O9S2	899.4973	NA	PeJP	NA	NA
+PJ072038	GPKKERW 	C41H65N13O10	899.4978	NA	PeJP	NA	NA
+PJ072039	GPCRRRR 	C34H65N19O8S	899.4985	NA	PeJP	NA	NA
+PJ072040	PLQQKMR 	C38H69N13O10S	899.5011	NA	PeJP	NA	NA
+PJ072041	PVLEMRR 	C38H69N13O10S	899.5012	NA	PeJP	NA	NA
+PJ072042	GPVKKWW 	C46H65N11O8	899.5018	NA	PeJP	NA	NA
+PJ072043	GVQERRR 	C35H65N17O11	899.505	NA	PeJP	NA	NA
+PJ072044	PVVLMRW 	C43H69N11O8S	899.5052	NA	PeJP	NA	NA
+PJ072045	LLLQEER 	C39H69N11O13	899.5077	NA	PeJP	NA	NA
+PJ072046	LLKKMMH 	C40H73N11O8S2	899.5085	NA	PeJP	NA	NA
+PJ072047	GPTKRRW 	C40H65N15O9	899.509	NA	PeJP	NA	NA
+PJ072048	VLLLQEW 	C44H69N9O11	899.5117	NA	PeJP	NA	NA
+PJ072049	PVNKMRR 	C37H69N15O9S	899.5124	NA	PeJP	NA	NA
+PJ072050	PKKRWW 	C45H65N13O7	899.513	NA	PeJP	NA	NA
+PJ072051	GPLLLKEM 	C41H73N9O11S	899.5151	NA	PeJP	NA	NA
+PJ072052	VVLLFFY 	C49H69N7O9	899.5157	NA	PeJP	NA	NA
+PJ072053	QERRRR 	C34H65N19O10	899.5162	NA	PeJP	NA	NA
+PJ072054	VVLEERR 	C38H69N13O12	899.5189	NA	PeJP	NA	NA
+PJ072055	VQRRRW 	C39H65N17O8	899.5202	NA	PeJP	NA	NA
+PJ072056	GGLRRRW 	C39H65N17O8	899.5203	NA	PeJP	NA	NA
+PJ072057	ALLLERW 	C43H69N11O10	899.5229	NA	PeJP	NA	NA
+PJ072058	GPKMRRR 	C36H69N17O8S	899.5236	NA	PeJP	NA	NA
+MetaCyc04276	macrocin []	C46H77N1O16	899.524235	11049-15-3	metacyc	NA	NA
+PJ072059	GPTLLLMR 	C40H73N11O10S	899.5263	NA	PeJP	NA	NA
+PJ072060	AVLLLWW 	C48H69N9O8	899.5269	NA	PeJP	NA	NA
+PJ072061	GLLLLWW 	C48H69N9O8	899.527	NA	PeJP	NA	NA
+PJ072062	SPKKERR 	C37H69N15O11	899.5301	NA	PeJP	NA	NA
+PJ072063	GAALKERR 	C37H69N15O11	899.5302	NA	PeJP	NA	NA
+PJ072064	PLLLKMW 	C45H73N9O8S	899.5303	NA	PeJP	NA	NA
+PJ072065	ARRRRW 	C38H65N19O7	899.5315	NA	PeJP	NA	NA
+PJ072066	GVLLLKEE 	C41H73N9O13	899.5328	NA	PeJP	NA	NA
+PJ072067	SPVKKRW 	C42H69N13O9	899.5342	NA	PeJP	NA	NA
+PJ072068	PLQKKMR 	C39H73N13O9S	899.5375	NA	PeJP	NA	NA
+MJ097236	Rapamycin; 32-O-De-Me 	C50H77NO13	899.539491	NA	MeJP	NA	NA
+MJ097237	Rapamycin; 7-O-De-Me 	C50H77NO13	899.539491	NA	MeJP	NA	NA
+PJ072069	GVKERRR 	C36H69N17O10	899.5414	NA	PeJP	NA	NA
+PJ072070	SSPLLQKK 	C40H73N11O12	899.544	NA	PeJP	NA	NA
+PJ072071	LLLKEER 	C40H73N11O12	899.5441	NA	PeJP	NA	NA
+PJ072072	AALKRRW 	C41H69N15O8	899.5454	NA	PeJP	NA	NA
+PJ072073	VLLLKEW 	C45H73N9O10	899.5481	NA	PeJP	NA	NA
+PJ072074	PCLKKRR 	C38H73N15O8S	899.5488	NA	PeJP	NA	NA
+PJ072075	SPVLLLKM 	C42H77N9O10S	899.5515	NA	PeJP	NA	NA
+PJ072076	KERRRR 	C35H69N19O9	899.5526	NA	PeJP	NA	NA
+PJ072077	TLLLERR 	C39H73N13O11	899.5553	NA	PeJP	NA	NA
+PJ072078	VKRRRW 	C40H69N17O7	899.5566	NA	PeJP	NA	NA
+PJ072079	SLLLLRW 	C44H73N11O9	899.5593	NA	PeJP	NA	NA
+PJ072080	AALLLLMR 	C41H77N11O9S	899.5627	NA	PeJP	NA	NA
+PJ072081	TRRRRR 	C34H69N21O8	899.5638	NA	PeJP	NA	NA
+PJ072082	ALKKERR 	C38H73N15O10	899.5665	NA	PeJP	NA	NA
+PJ072083	ATLLLLKE 	C42H77N9O12	899.5692	NA	PeJP	NA	NA
+PJ072084	AVLKKRW 	C43H73N13O8	899.5705	NA	PeJP	NA	NA
+PJ072085	GLLKKRW 	C43H73N13O8	899.5706	NA	PeJP	NA	NA
+PJ072086	VLLLMRR 	C40H77N13O8S	899.5739	NA	PeJP	NA	NA
+MJ097238	Rapamycin; 15-Deoxo 	C51H81NO12	899.575877	NA	MeJP	NA	NA
+PJ072087	ATLKRRR 	C37H73N17O9	899.5778	NA	PeJP	NA	NA
+PJ072088	ATTLLLLR 	C41H77N11O11	899.5804	NA	PeJP	NA	NA
+PJ072089	GVVLKKKE 	C41H77N11O11	899.5805	NA	PeJP	NA	NA
+PJ072090	GPLLLLKF 	C46H77N9O9	899.5845	NA	PeJP	NA	NA
+PJ072091	GLLLLLKM 	C43H81N9O9S	899.5878	NA	PeJP	NA	NA
+PJ072092	VLKKKER 	C40H77N13O10	899.5917	NA	PeJP	NA	NA
+PJ072093	VVLKKKW 	C45H77N11O8	899.5957	NA	PeJP	NA	NA
+PJ072094	SLLKKRR 	C39H77N15O9	899.6029	NA	PeJP	NA	NA
+PJ072095	STLLLLLK 	C43H81N9O11	899.6056	NA	PeJP	NA	NA
+PJ072096	GKKKKRR 	C38H77N17O8	899.6141	NA	PeJP	NA	NA
+PJ072097	GTLLLKKK 	C42H81N11O10	899.6168	NA	PeJP	NA	NA
+PJ072098	LQKKKKK 	C41H81N13O9	899.6281	NA	PeJP	NA	NA
+PJ072099	LKKKKKK 	C42H85N13O8	899.6644	NA	PeJP	NA	NA
+HMDB08290	PC(20:0/24:1(15Z))	C52H102NO8P	899.734314	NA	HMDB2010	NA	NA
+HMDB08322	PC(20:1(11Z)/24:0)	C52H102NO8P	899.734314	NA	HMDB2010	NA	NA
+HMDB08546	PC(22:0/22:1(13Z))	C52H102NO8P	899.734314	NA	HMDB2010	NA	NA
+HMDB08577	PC(22:1(13Z)/22:0)	C52H102NO8P	899.734314	NA	HMDB2010	NA	NA
+HMDB08768	PC(24:0/20:1(11Z))	C52H102NO8P	899.734314	NA	HMDB2010	NA	NA
+HMDB08800	PC(24:1(15Z)/20:0)	C52H102NO8P	899.734314	NA	HMDB2010	NA	NA
+MetaCyc04277	N-methylanthraniloyl-CoA []	C29H43N8O17P3S1	900.167972	NA	metacyc	NA	NA
+C12092	N-Methylanthraniloyl-CoA	C29H43N8O17P3S	900.168	NA	KEGG	NA	NA
+PJ072100	CCCCCDDH 	C29H44N10O13S5	900.1693	NA	PeJP	NA	NA
+PJ072101	TCCCCCCY 	C31H48N8O11S6	900.1767	NA	PeJP	NA	NA
+MJ097239	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4-O-acetyl-6-O-malonyl-?-D-glucopyranoside) 	C41H41O23(+)	900.196037	NA	MeJP	NA	NA
+PJ072102	CCCNNDDD 	C29H44N10O17S3	900.2048	NA	PeJP	NA	NA
+PJ072103	GGCCCNDDD 	C29H44N10O17S3	900.2049	NA	PeJP	NA	NA
+PJ072104	SCCCCDMH 	C30H48N10O12S5	900.2057	NA	PeJP	NA	NA
+PJ072105	GCCCCCFY 	C35H48N8O10S5	900.2097	NA	PeJP	NA	NA
+PJ072106	SCCDDDDE 	C30H44N8O20S2	900.2114	NA	PeJP	NA	NA
+PJ072107	PCCCDDDM 	C31H48N8O15S4	900.2122	NA	PeJP	NA	NA
+PJ072108	GSPCCCCND 	C30H48N10O14S4	900.2235	NA	PeJP	NA	NA
+PJ072109	ACCCCMMH 	C31H52N10O9S6	900.2243	NA	PeJP	NA	NA
+PJ072110	GSCCCCYY 	C35H48N8O12S4	900.2275	NA	PeJP	NA	NA
+PJ072111	GCDDDDMM 	C31H48N8O17S3	900.23	NA	PeJP	NA	NA
+PJ072112	CCCCNNNQ 	C29H48N12O13S4	900.2347	NA	PeJP	NA	NA
+PJ072113	GCCCCEHF 	C34H48N10O11S4	900.2387	NA	PeJP	NA	NA
+PJ072114	SCCNNDDM 	C30H48N10O16S3	900.2412	NA	PeJP	NA	NA
+PJ072115	SSCCCMMH 	C31H52N10O11S5	900.2421	NA	PeJP	NA	NA
+PJ072116	GCDDDDDF 	C34H44N8O19S	900.2444	NA	PeJP	NA	NA
+PJ072117	CCDDEMW 	C35H48N8O14S3	900.2453	NA	PeJP	NA	NA
+PJ072118	STCCDDEE 	C31H48N8O19S2	900.2477	NA	PeJP	NA	NA
+PJ072119	SSCDDDEM 	C31H48N8O19S2	900.2478	NA	PeJP	NA	NA
+PJ072120	SPCCDDMM 	C32H52N8O14S4	900.2486	NA	PeJP	NA	NA
+PJ072121	GCCDDDHH 	C32H44N12O15S2	900.2491	NA	PeJP	NA	NA
+PJ072122	GSSCCCNNN 	C29H48N12O15S3	900.2525	NA	PeJP	NA	NA
+PJ072123	PCCCCCNR 	C30H52N12O10S5	900.2533	NA	PeJP	NA	NA
+PJ072124	CCCCHFW 	C38H48N10O8S4	900.254	NA	PeJP	NA	NA
+PJ072125	GSCCCNEW 	C34H48N10O13S3	900.2565	NA	PeJP	NA	NA
+PJ072126	GSSSCCNDE 	C30H48N10O18S2	900.259	NA	PeJP	NA	NA
+PJ072127	GCCNNEMM 	C31H52N10O13S4	900.2599	NA	PeJP	NA	NA
+PJ072128	GSDDDDDY 	C34H44N8O21	900.2621	NA	PeJP	NA	NA
+PJ072129	GPCCDDEY 	C35H48N8O16S2	900.263	NA	PeJP	NA	NA
+PJ072130	PPCCCCEF 	C36H52N8O11S4	900.2639	NA	PeJP	NA	NA
+PJ072131	GSDDDMMM 	C32H52N8O16S3	900.2664	NA	PeJP	NA	NA
+PJ072132	GPCCEMMM 	C33H56N8O11S5	900.2673	NA	PeJP	NA	NA
+PJ072133	SPCCCDHH 	C33H48N12O12S3	900.2677	NA	PeJP	NA	NA
+PJ072134	GCCCNDMR 	C30H52N12O12S4	900.2711	NA	PeJP	NA	NA
+PJ072135	SCCCNWW 	C38H48N10O10S3	900.2717	NA	PeJP	NA	NA
+PJ072136	SSSCCNDW 	C34H48N10O15S2	900.2742	NA	PeJP	NA	NA
+PJ072137	GGGCCNDEF 	C34H48N10O15S2	900.2743	NA	PeJP	NA	NA
+PJ072138	CCNNMMW 	C35H52N10O10S4	900.2751	NA	PeJP	NA	NA
+PJ072139	SSSSSCNDD 	C30H48N10O20S	900.2767	NA	PeJP	NA	NA
+PJ072140	SSCNNDMM 	C31H52N10O15S3	900.2776	NA	PeJP	NA	NA
+PJ072141	PCCDDYW 	C39H48N8O13S2	900.2783	NA	PeJP	NA	NA
+PJ072142	PCCCCNKM 	C32H56N10O10S5	900.2785	NA	PeJP	NA	NA
+PJ072143	GCCCNQHH 	C32H48N14O11S3	900.279	NA	PeJP	NA	NA
+PJ072144	NDDDEMY 	C35H48N8O18S	900.2808	NA	PeJP	NA	NA
+PJ072145	SCDEMMW 	C36H52N8O13S3	900.2816	NA	PeJP	NA	NA
+PJ072146	PCCMMMW 	C37H56N8O8S5	900.2825	NA	PeJP	NA	NA
+PJ072147	SSSDDEMM 	C32H52N8O18S2	900.2841	NA	PeJP	NA	NA
+PJ072148	GNNDDDDH 	C32H44N12O19	900.2846	NA	PeJP	NA	NA
+PJ072149	NDEMMMM 	C33H56N8O13S4	900.285	NA	PeJP	NA	NA
+PJ072150	GCCNNNNY 	C33H48N12O14S2	900.2855	NA	PeJP	NA	NA
+PJ072151	CCCCQRW 	C34H52N12O9S4	900.2863	NA	PeJP	NA	NA
+PJ072152	GACCCCRW 	C34H52N12O9S4	900.2864	NA	PeJP	NA	NA
+PJ072153	SSCCCNER 	C30H52N12O14S3	900.2888	NA	PeJP	NA	NA
+PJ072154	GGSSCCCER 	C30H52N12O14S3	900.2889	NA	PeJP	NA	NA
+PJ072155	CCNNDFW 	C38H48N10O12S2	900.2895	NA	PeJP	NA	NA
+PJ072156	CDDDDRY 	C34H48N10O17S	900.292	NA	PeJP	NA	NA
+PJ072157	GSSCCQMW 	C35H52N10O12S3	900.2929	NA	PeJP	NA	NA
+PJ072158	GSSSSCNEM 	C31H52N10O17S2	900.2954	NA	PeJP	NA	NA
+PJ072159	GDDDMYW 	C39H48N8O15S	900.296	NA	PeJP	NA	NA
+PJ072160	CDDMMMR 	C32H56N10O12S4	900.2962	NA	PeJP	NA	NA
+PJ072161	GGGGGTCMMM 	C32H56N10O12S4	900.2963	NA	PeJP	NA	NA
+PJ072162	SSCCNNHH 	C32H48N14O13S2	900.2967	NA	PeJP	NA	NA
+PJ072163	PCCDMFW 	C40H52N8O10S3	900.2969	NA	PeJP	NA	NA
+PJ072164	GSSDDEEY 	C35H48N8O20	900.2985	NA	PeJP	NA	NA
+PJ072165	GSPCDEMY 	C36H52N8O15S2	900.2994	NA	PeJP	NA	NA
+PJ072166	GDMMMMW 	C37H56N8O10S4	900.3003	NA	PeJP	NA	NA
+PJ072167	SCCEHHW 	C37H48N12O11S2	900.3007	NA	PeJP	NA	NA
+PJ072168	GSSEEMMM 	C33H56N8O15S3	900.3028	NA	PeJP	NA	NA
+PJ072169	SSSCDEHH 	C33H48N12O16S	900.3032	NA	PeJP	NA	NA
+PJ072170	GGGGSPCDDH 	C33H48N12O16S	900.3033	NA	PeJP	NA	NA
+PJ072171	GPTCMMMM 	C34H60N8O10S5	900.3036	NA	PeJP	NA	NA
+PJ072172	GSSCCCRW 	C34H52N12O11S3	900.3041	NA	PeJP	NA	NA
+PJ072173	GSSSSCCDR 	C30H52N12O16S2	900.3066	NA	PeJP	NA	NA
+PJ072174	SCNNDYW 	C38H48N10O14S	900.3072	NA	PeJP	NA	NA
+PJ072175	GGSCNDYW 	C38H48N10O14S	900.3073	NA	PeJP	NA	NA
+PJ072176	GSCCNMMR 	C31H56N12O11S4	900.3075	NA	PeJP	NA	NA
+PJ072177	CCNMHFF 	C39H52N10O9S3	900.3081	NA	PeJP	NA	NA
+PJ072178	SSSNNDDY 	C34H48N10O19	900.3097	NA	PeJP	NA	NA
+PJ072179	GGSSSNDDY 	C34H48N10O19	900.3098	NA	PeJP	NA	NA
+PJ072180	SSSSCNMW 	C35H52N10O14S2	900.3106	NA	PeJP	NA	NA
+PJ072181	CDEYWW 	C43H48N8O12S	900.3113	NA	PeJP	NA	NA
+PJ072182	CCCQKMW 	C36H56N10O9S4	900.3115	NA	PeJP	NA	NA
+PJ072183	SSSSSSNDM 	C31H52N10O19S	900.3131	NA	PeJP	NA	NA
+PJ072184	SSDDEYW 	C39H48N8O17	900.3138	NA	PeJP	NA	NA
+PJ072185	SSSNNMMM 	C32H56N10O14S3	900.314	NA	PeJP	NA	NA
+PJ072186	GCNNNNEH 	C32H48N14O15S	900.3145	NA	PeJP	NA	NA
+PJ072187	SPCDMYW 	C40H52N8O12S2	900.3146	NA	PeJP	NA	NA
+PJ072188	GDDMMFW 	C40H52N8O12S2	900.3147	NA	PeJP	NA	NA
+PJ072189	CCDMHHR 	C33H52N14O10S3	900.3153	NA	PeJP	NA	NA
+PJ072190	GGGCCCKHH 	C33H52N14O10S3	900.3154	NA	PeJP	NA	NA
+PJ072191	SNEEEMY 	C36H52N8O17S	900.3171	NA	PeJP	NA	NA
+PJ072192	GGSEEEMY 	C36H52N8O17S	900.3172	NA	PeJP	NA	NA
+PJ072193	DDYYYY 	C44H48N6O15	900.3178	NA	PeJP	NA	NA
+PJ072194	SSEMMMW 	C37H56N8O12S3	900.318	NA	PeJP	NA	NA
+PJ072195	CNDEHHF 	C37H48N12O13S	900.3185	NA	PeJP	NA	NA
+PJ072196	GTCCCCRR 	C30H56N14O10S4	900.3187	NA	PeJP	NA	NA
+PJ072197	GCMMHHW 	C38H52N12O8S3	900.3194	NA	PeJP	NA	NA
+PJ072198	SSSTEEMM 	C33H56N8O17S2	900.3205	NA	PeJP	NA	NA
+PJ072199	DDDDEHR 	C33H48N12O18	900.321	NA	PeJP	NA	NA
+PJ072200	TQEMMMM 	C34H60N8O12S4	900.3214	NA	PeJP	NA	NA
+PJ072201	CCNNERY 	C34H52N12O13S2	900.3219	NA	PeJP	NA	NA
+PJ072202	MMMYYY 	C42H56N6O10S3	900.322	NA	PeJP	NA	NA
+PJ072203	CCCCKRW 	C35H56N12O8S4	900.3227	NA	PeJP	NA	NA
+PJ072204	CCQHHHH 	C35H48N16O9S2	900.3232	NA	PeJP	NA	NA
+PJ072205	GDEEEHW 	C38H48N10O16	900.325	NA	PeJP	NA	NA
+PJ072206	SSSCCQMR 	C31H56N12O13S3	900.3252	NA	PeJP	NA	NA
+PJ072207	GCNQMYW 	C39H52N10O11S2	900.3259	NA	PeJP	NA	NA
+PJ072208	GSSSSSTCW 	C35H52N10O16S	900.3284	NA	PeJP	NA	NA
+PJ072209	GDDDFFW 	C43H48N8O14	900.329	NA	PeJP	NA	NA
+PJ072210	ASTCCCKW 	C36H56N10O11S3	900.3292	NA	PeJP	NA	NA
+PJ072211	GSSCCKMW 	C36H56N10O11S3	900.3293	NA	PeJP	NA	NA
+PJ072212	CNNNNHW 	C36H48N14O12S	900.3297	NA	PeJP	NA	NA
+PJ072213	GGGGGGGGCHW 	C36H48N14O12S	900.3298	NA	PeJP	NA	NA
+PJ072214	CEMFWW 	C44H52N8O9S2	900.3299	NA	PeJP	NA	NA
+PJ072215	GSSSSSSSSE 	C31H52N10O21	900.3309	NA	PeJP	NA	NA
+PJ072216	GSSSSSQMM 	C32H56N10O16S2	900.3317	NA	PeJP	NA	NA
+PJ072217	GGGSSSSTMM 	C32H56N10O16S2	900.3318	NA	PeJP	NA	NA
+PJ072218	SSNNNNDH 	C32H48N14O17	900.3322	NA	PeJP	NA	NA
+PJ072219	GGGGGGGGSSDH 	C32H48N14O17	900.3323	NA	PeJP	NA	NA
+PJ072220	GSEEMYW 	C40H52N8O14S	900.3324	NA	PeJP	NA	NA
+PJ072221	SDMMMMR 	C33H60N10O11S4	900.3326	NA	PeJP	NA	NA
+PJ072222	GPCCNDHR 	C33H52N14O12S2	900.3331	NA	PeJP	NA	NA
+PJ072223	APCMMYW 	C41H56N8O9S3	900.3333	NA	PeJP	NA	NA
+PJ072224	GCDHHFW 	C41H48N12O10S	900.3338	NA	PeJP	NA	NA
+PJ072225	GSSTEEEY 	C36H52N8O19	900.3349	NA	PeJP	NA	NA
+PJ072226	AQEEMMY 	C37H56N8O14S2	900.3358	NA	PeJP	NA	NA
+PJ072227	SNNDEHW 	C37H48N12O15	900.3362	NA	PeJP	NA	NA
+PJ072228	GGSNDEHW 	C37H48N12O15	900.3363	NA	PeJP	NA	NA
+PJ072229	DMFYYY 	C45H52N6O12S	900.3364	NA	PeJP	NA	NA
+PJ072230	SSSCCCRR 	C30H56N14O12S3	900.3365	NA	PeJP	NA	NA
+PJ072231	ATMMMMW 	C38H60N8O9S4	900.3366	NA	PeJP	NA	NA
+PJ072232	GGPMMMMF 	C38H60N8O9S4	900.3367	NA	PeJP	NA	NA
+PJ072233	GCCNRYW 	C38H52N12O10S2	900.3371	NA	PeJP	NA	NA
+PJ072234	GTTTEMMM 	C34H60N8O14S3	900.3391	NA	PeJP	NA	NA
+PJ072235	GSSCNDRY 	C34H52N12O15S	900.3396	NA	PeJP	NA	NA
+PJ072236	GGGGGGGGPPCE 	C34H52N12O15S	900.3397	NA	PeJP	NA	NA
+PJ072237	VQMMMMM 	C35H64N8O9S5	900.34	NA	PeJP	NA	NA
+PJ072238	DEEHWW 	C42H48N10O13	900.3403	NA	PeJP	NA	NA
+PJ072239	CCNQMFR 	C35H56N12O10S3	900.3405	NA	PeJP	NA	NA
+PJ072240	GSSCHHHH 	C35H48N16O11S	900.341	NA	PeJP	NA	NA
+PJ072241	GSSSSSCMR 	C31H56N12O15S2	900.343	NA	PeJP	NA	NA
+PJ072242	SSNNMYW 	C39H52N10O13S	900.3436	NA	PeJP	NA	NA
+PJ072243	GGGGGAPCYY 	C39H52N10O13S	900.3437	NA	PeJP	NA	NA
+PJ072244	GTCCCKMR 	C32H60N12O10S4	900.3439	NA	PeJP	NA	NA
+PJ072245	PPCMMHW 	C40H56N10O8S3	900.3445	NA	PeJP	NA	NA
+PJ072246	SSSSSSSSW 	C35H52N10O18	900.3461	NA	PeJP	NA	NA
+PJ072247	GATEEEEH 	C35H52N10O18	900.3462	NA	PeJP	NA	NA
+PJ072248	SSSTCCKW 	C36H56N10O13S2	900.347	NA	PeJP	NA	NA
+PJ072249	GSPDDHHH 	C36H48N14O14	900.3475	NA	PeJP	NA	NA
+PJ072250	SEMYWW 	C44H52N8O11S	900.3477	NA	PeJP	NA	NA
+PJ072251	CCCKKMW 	C37H60N10O8S4	900.3479	NA	PeJP	NA	NA
+PJ072252	APPCCHHH 	C37H52N14O9S2	900.3484	NA	PeJP	NA	NA
+PJ072253	SSSSSSTQM 	C32H56N10O18S	900.3495	NA	PeJP	NA	NA
+PJ072254	SSTEEYW 	C40H52N8O16	900.3501	NA	PeJP	NA	NA
+PJ072255	TTTDDYW 	C40H52N8O16	900.3502	NA	PeJP	NA	NA
+PJ072256	SSSCQKMM 	C33H60N10O13S3	900.3504	NA	PeJP	NA	NA
+PJ072257	GSNNNQMH 	C33H52N14O14S	900.3508	NA	PeJP	NA	NA
+PJ072258	NNDDMHR 	C33H52N14O14S	900.3509	NA	PeJP	NA	NA
+PJ072259	AAEMMYW 	C41H56N8O11S2	900.351	NA	PeJP	NA	NA
+PJ072260	AMMMMMR 	C34H64N10O8S5	900.3513	NA	PeJP	NA	NA
+PJ072261	GSNDHWW 	C41H48N12O12	900.3515	NA	PeJP	NA	NA
+PJ072262	CCCNFRR 	C34H56N14O9S3	900.3517	NA	PeJP	NA	NA
+PJ072263	SDKEEMY 	C37H56N8O16S	900.3535	NA	PeJP	NA	NA
+PJ072264	TEYYYY 	C45H52N6O14	900.3542	NA	PeJP	NA	NA
+PJ072265	TTTMMMW 	C38H60N8O11S3	900.3544	NA	PeJP	NA	NA
+PJ072266	GNQEMHW 	C38H52N12O12S	900.3549	NA	PeJP	NA	NA
+PJ072267	MMFFYY 	C46H56N6O9S2	900.355	NA	PeJP	NA	NA
+PJ072268	STTTTEMM 	C34H60N8O16S2	900.3569	NA	PeJP	NA	NA
+PJ072269	SDEEEHR 	C34H52N12O17	900.3574	NA	PeJP	NA	NA
+PJ072270	TKEMMMM 	C35H64N8O11S4	900.3578	NA	PeJP	NA	NA
+PJ072271	SCNQMRY 	C35H56N12O12S2	900.3582	NA	PeJP	NA	NA
+PJ072272	GGGGTCMRY 	C35H56N12O12S2	900.3583	NA	PeJP	NA	NA
+PJ072273	NNNEHHH 	C35H48N16O13	900.3587	NA	PeJP	NA	NA
+PJ072274	GCNQFFW 	C43H52N10O10S	900.3589	NA	PeJP	NA	NA
+PJ072275	CCKHHHH 	C36H52N16O8S2	900.3596	NA	PeJP	NA	NA
+PJ072276	SSSSSSTCR 	C31H56N12O17S	900.3607	NA	PeJP	NA	NA
+PJ072277	GSSSSQYW 	C39H52N10O15	900.3614	NA	PeJP	NA	NA
+PJ072278	SSSCCKMR 	C32H60N12O12S3	900.3616	NA	PeJP	NA	NA
+PJ072279	GSCNNNHR 	C32H52N16O13S	900.3621	NA	PeJP	NA	NA
+PJ072280	DMMRYW 	C40H56N10O10S2	900.3623	NA	PeJP	NA	NA
+PJ072281	PCFYWW 	C48H52N8O8S	900.3629	NA	PeJP	NA	NA
+PJ072282	SSEEMRY 	C36H56N10O15S	900.3648	NA	PeJP	NA	NA
+PJ072283	GSPEYYW 	C44H52N8O13	900.3654	NA	PeJP	NA	NA
+PJ072284	PTCMMRY 	C37H60N10O10S3	900.3656	NA	PeJP	NA	NA
+PJ072285	GGGACKMMF 	C37H60N10O10S3	900.3657	NA	PeJP	NA	NA
+PJ072286	GCNEHRW 	C37H52N14O11S	900.3661	NA	PeJP	NA	NA
+PJ072287	CLMYWW 	C45H56N8O8S2	900.3663	NA	PeJP	NA	NA
+PJ072288	GSSSSSSTTT 	C32H56N10O20	900.3673	NA	PeJP	NA	NA
+PJ072289	GSSSSSKMM 	C33H60N10O15S2	900.3681	NA	PeJP	NA	NA
+PJ072290	GSSNDEHR 	C33H52N14O16	900.3686	NA	PeJP	NA	NA
+PJ072291	GGGGGGGGGGGGPT 	C33H52N14O16	900.3687	NA	PeJP	NA	NA
+PJ072292	ATTEMYW 	C41H56N8O13S	900.3688	NA	PeJP	NA	NA
+PJ072293	TTMMMMR 	C34H64N10O10S4	900.369	NA	PeJP	NA	NA
+PJ072294	DFFFYY 	C49H52N6O11	900.3694	NA	PeJP	NA	NA
+PJ072295	SCCNRRY 	C34H56N14O11S2	900.3695	NA	PeJP	NA	NA
+PJ072296	GVMMMFW 	C42H60N8O8S3	900.3697	NA	PeJP	NA	NA
+PJ072297	NQMHWW 	C42H52N12O9S	900.3701	NA	PeJP	NA	NA
+PJ072298	SSSSLEEY 	C37H56N8O18	900.3713	NA	PeJP	NA	NA
+PJ072299	AKEEMMY 	C38H60N8O13S2	900.3722	NA	PeJP	NA	NA
+PJ072300	SSQQEHW 	C38H52N12O14	900.3726	NA	PeJP	NA	NA
+PJ072301	GGGGGGPQEW 	C38H52N12O14	900.3727	NA	PeJP	NA	NA
+PJ072302	VMYYYY 	C46H56N6O11S	900.3728	NA	PeJP	NA	NA
+PJ072303	PCCQKHW 	C39H56N12O9S2	900.3735	NA	PeJP	NA	NA
+PJ072304	GNNHHHW 	C39H48N16O10	900.374	NA	PeJP	NA	NA
+PJ072305	SSTTLMMM 	C35H64N8O13S3	900.3755	NA	PeJP	NA	NA
+PJ072306	GSSSNMRY 	C35H56N12O14S	900.376	NA	PeJP	NA	NA
+PJ072307	VKMMMMM 	C36H68N8O8S5	900.3764	NA	PeJP	NA	NA
+PJ072308	NQQYYW 	C43H52N10O12	900.3766	NA	PeJP	NA	NA
+PJ072309	SPPNDWW 	C43H52N10O12	900.3767	NA	PeJP	NA	NA
+PJ072310	CCNKMFR 	C36H60N12O9S3	900.3769	NA	PeJP	NA	NA
+PJ072311	PCDHHHR 	C36H52N16O10S	900.3773	NA	PeJP	NA	NA
+MJ097240	Bussein A; 11-O-De-Ac, 11-O-(2-methylpropanoyl) 	C46H60O18	900.377965	NA	MeJP	NA	NA
+PJ072312	SSCQKYW 	C40H56N10O12S	900.38	NA	PeJP	NA	NA
+PJ072313	SPYYWW 	C48H52N8O10	900.3807	NA	PeJP	NA	NA
+PJ072314	MMMFRW 	C41H60N10O7S3	900.3809	NA	PeJP	NA	NA
+PJ072315	CNHRWW 	C41H52N14O8S	900.3814	NA	PeJP	NA	NA
+PJ072316	SSSSNKEY 	C36H56N10O17	900.3825	NA	PeJP	NA	NA
+PJ072317	GGGGGPLEEE 	C36H56N10O17	900.3826	NA	PeJP	NA	NA
+PJ072318	ATEMMRY 	C37H60N10O12S2	900.3834	NA	PeJP	NA	NA
+PJ072319	SSNDHRW 	C37H52N14O13	900.3839	NA	PeJP	NA	NA
+PJ072320	AAPMYYW 	C45H56N8O10S	900.384	NA	PeJP	NA	NA
+PJ072321	GVDMFFW 	C45H56N8O10S	900.3841	NA	PeJP	NA	NA
+PJ072322	ACMHHFR 	C38H56N14O8S2	900.3847	NA	PeJP	NA	NA
+PJ072323	SSSSSSTKM 	C33H60N10O17S	900.3859	NA	PeJP	NA	NA
+PJ072324	TTTTEYW 	C41H56N8O15	900.3865	NA	PeJP	NA	NA
+PJ072325	GGALEEYY 	C41H56N8O15	900.3866	NA	PeJP	NA	NA
+PJ072326	SSSCKKMM 	C34H64N10O12S3	900.3868	NA	PeJP	NA	NA
+PJ072327	SNQEMHR 	C34H56N14O13S	900.3872	NA	PeJP	NA	NA
+PJ072328	GGGGTEMHR 	C34H56N14O13S	900.3873	NA	PeJP	NA	NA
+PJ072329	GTLMMYW 	C42H60N8O10S2	900.3874	NA	PeJP	NA	NA
+PJ072330	GSTQHWW 	C42H52N12O11	900.3879	NA	PeJP	NA	NA
+PJ072331	MFFFFY 	C50H56N6O8S	900.3881	NA	PeJP	NA	NA
+PJ072332	TTKEEMY 	C38H60N8O15S	900.3899	NA	PeJP	NA	NA
+PJ072333	PTKMMMY 	C39H64N8O10S3	900.3908	NA	PeJP	NA	NA
+PJ072334	ATQQMHW 	C39H56N12O11S	900.3912	NA	PeJP	NA	NA
+PJ072335	PPCNERW 	C39H56N12O11S	900.3913	NA	PeJP	NA	NA
+PJ072336	PEHFWW 	C47H52N10O9	900.3919	NA	PeJP	NA	NA
+PJ072337	SSSSSQRY 	C35H56N12O16	900.3937	NA	PeJP	NA	NA
+PJ072338	GGSSSSTRY 	C35H56N12O16	900.3938	NA	PeJP	NA	NA
+PJ072339	SCNKMRY 	C36H60N12O11S2	900.3946	NA	PeJP	NA	NA
+PJ072340	GGGGAALMMH 	C36H60N12O11S2	900.3947	NA	PeJP	NA	NA
+PJ072341	GEEHHHR 	C36H52N16O12	900.3951	NA	PeJP	NA	NA
+PJ072342	LEMHWW 	C44H56N10O9S	900.3953	NA	PeJP	NA	NA
+PJ072343	GSSSSKYW 	C40H56N10O14	900.3978	NA	PeJP	NA	NA
+PJ072344	SCNEHRR 	C33H56N16O12S	900.3985	NA	PeJP	NA	NA
+PJ072345	ACCKKYW 	C41H60N10O9S2	900.3986	NA	PeJP	NA	NA
+PJ072346	SPLMMHW 	C41H60N10O9S2	900.3987	NA	PeJP	NA	NA
+PJ072347	GVEHHHW 	C41H52N14O10	900.3991	NA	PeJP	NA	NA
+PJ072348	CLFFWW 	C49H56N8O7S	900.3993	NA	PeJP	NA	NA
+PJ072349	TTTEMRY 	C37H60N10O14S	900.4011	NA	PeJP	NA	NA
+PJ072350	GGGSTTKMY 	C37H60N10O14S	900.4012	NA	PeJP	NA	NA
+MJ097241	Microsclerodermin F 	C45H56N8O12	900.401769	NA	MeJP	NA	NA
+PJ072351	LQEYYW 	C45H56N8O12	900.4018	NA	PeJP	NA	NA
+PJ072352	GLMMMRY 	C38H64N10O9S3	900.402	NA	PeJP	NA	NA
+PJ072353	GSQMHRW 	C38H56N14O10S	900.4025	NA	PeJP	NA	NA
+PJ072354	QHHFFW 	C46H52N12O8	900.4031	NA	PeJP	NA	NA
+PJ072355	GAHHFFW 	C46H52N12O8	900.4032	NA	PeJP	NA	NA
+PJ072356	PNDDERR 	C34H56N14O15	900.405	NA	PeJP	NA	NA
+PJ072357	STTLMYW 	C42H60N8O12S	900.4052	NA	PeJP	NA	NA
+PJ072358	VFFYYY 	C50H56N6O10	900.4058	NA	PeJP	NA	NA
+PJ072359	AQQMMHR 	C35H60N14O10S2	900.4059	NA	PeJP	NA	NA
+PJ072360	SNNHHHR 	C35H52N18O11	900.4063	NA	PeJP	NA	NA
+PJ072361	GGGGSHHHR 	C35H52N18O11	900.4064	NA	PeJP	NA	NA
+PJ072362	GPPCRWW 	C43H56N12O8S	900.4065	NA	PeJP	NA	NA
+PJ072363	SSTTTLEY 	C38H60N8O17	900.4077	NA	PeJP	NA	NA
+PJ072364	SLKEMMY 	C39H64N8O12S2	900.4085	NA	PeJP	NA	NA
+PJ072365	PPPVTEMM 	C39H64N8O12S2	900.4086	NA	PeJP	NA	NA
+PJ072366	GPQEERW 	C39H56N12O13	900.409	NA	PeJP	NA	NA
+PJ072367	GGGGGGGAAPPF 	C39H56N12O13	900.4091	NA	PeJP	NA	NA
+PJ072368	PCCKKHW 	C40H60N12O8S2	900.4099	NA	PeJP	NA	NA
+PJ072369	EHHHRW 	C40H52N16O9	900.4104	NA	PeJP	NA	NA
+PJ072370	GSSTCKRY 	C36H60N12O13S	900.4124	NA	PeJP	NA	NA
+PJ072371	GPVQEWW 	C44H56N10O11	900.413	NA	PeJP	NA	NA
+PJ072372	GGGPLEWW 	C44H56N10O11	900.4131	NA	PeJP	NA	NA
+PJ072373	PVMMMHR 	C37H64N12O8S3	900.4133	NA	PeJP	NA	NA
+PJ072374	GSCHRRW 	C37H56N16O9S	900.4137	NA	PeJP	NA	NA
+MJ097242	Papulacandin B 	C47H64O17	900.41435	NA	MeJP	NA	NA
+MJ097243	Papulacandin C 	C47H64O17	900.41435	NA	MeJP	NA	NA
+PJ072375	VHHHWW 	C45H52N14O7	900.4144	NA	PeJP	NA	NA
+PJ072376	GSSSDHRR 	C33H56N16O14	900.4162	NA	PeJP	NA	NA
+PJ072377	GGGGGGGAQQR 	C33H56N16O14	900.4163	NA	PeJP	NA	NA
+PJ072378	SSCKKYW 	C41H60N10O11S	900.4164	NA	PeJP	NA	NA
+PJ072379	SLFYWW 	C49H56N8O9	900.417	NA	PeJP	NA	NA
+PJ072380	ALYYWW 	C49H56N8O9	900.4171	NA	PeJP	NA	NA
+PJ072381	SSSSDKKY 	C37H60N10O16	900.4189	NA	PeJP	NA	NA
+PJ072382	STLMMRY 	C38H64N10O11S2	900.4198	NA	PeJP	NA	NA
+PJ072383	SSTQHRW 	C38H56N14O12	900.4202	NA	PeJP	NA	NA
+PJ072384	GPDDRRW 	C38H56N14O12	900.4203	NA	PeJP	NA	NA
+PJ072385	AALMFYW 	C46H60N8O9S	900.4204	NA	PeJP	NA	NA
+PJ072386	FFFFFF 	C54H56N6O7	900.4211	NA	PeJP	NA	NA
+PJ072387	PVLEEEW 	C42H60N8O14	900.4229	NA	PeJP	NA	NA
+PJ072388	GSPPCERR 	C35H60N14O12S	900.4236	NA	PeJP	NA	NA
+PJ072389	GGGGGGGPVMR 	C35H60N14O12S	900.4237	NA	PeJP	NA	NA
+PJ072390	PCLKMFY 	C43H64N8O9S2	900.4238	NA	PeJP	NA	NA
+PJ072391	PQERWW 	C43H56N12O10	900.4243	NA	PeJP	NA	NA
+PJ072392	SSSTLLMY 	C39H64N8O14S	900.4263	NA	PeJP	NA	NA
+PJ072393	VVKMMMY 	C40H68N8O9S3	900.4272	NA	PeJP	NA	NA
+PJ072394	NNNNNRR 	C32H56N18O13	900.4275	NA	PeJP	NA	NA
+PJ072395	SPPQMRW 	C40H60N12O10S	900.4276	NA	PeJP	NA	NA
+PJ072396	GGPPTMRW 	C40H60N12O10S	900.4277	NA	PeJP	NA	NA
+PJ072397	PVQWWW 	C48H56N10O8	900.4283	NA	PeJP	NA	NA
+PJ072398	SSSSSKRY 	C36H60N12O15	900.4301	NA	PeJP	NA	NA
+PJ072399	PNKEEER 	C36H60N12O15	900.4302	NA	PeJP	NA	NA
+7446	coeliac toxic peptide	FPQTQQPQQLFPQSQ	900.4305	MH2+	Inhouse_peptide	NA	peptide
+PJ072400	TCCKKRY 	C37H64N12O10S2	900.431	NA	PeJP	NA	NA
+PJ072401	GNDHFRR 	C37H56N16O11	900.4315	NA	PeJP	NA	NA
+PJ072402	GPPKMWW 	C45H60N10O8S	900.4317	NA	PeJP	NA	NA
+PJ072403	PVNKEEW 	C41H60N10O13	900.4342	NA	PeJP	NA	NA
+PJ072404	SSQMHRR 	C34H60N16O11S	900.4348	NA	PeJP	NA	NA
+PJ072405	GGSTMHRR 	C34H60N16O11S	900.4349	NA	PeJP	NA	NA
+PJ072406	ALLMMHW 	C42H64N10O8S2	900.435	NA	PeJP	NA	NA
+MJ097244	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranoside] 	C44H68O19	900.435479	NA	MeJP	NA	NA
+MJ097245	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C44H68O19	900.435479	NA	MeJP	NA	NA
+MJ097246	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C44H68O19	900.435479	NA	MeJP	NA	NA
+PJ072407	QQHFRW 	C42H56N14O9	900.4355	NA	PeJP	NA	NA
+PJ072408	GSSTKKMY 	C38H64N10O13S	900.4375	NA	PeJP	NA	NA
+PJ072409	GPPDKKEM 	C38H64N10O13S	900.4376	NA	PeJP	NA	NA
+PJ072410	LKEYYW 	C46H60N8O11	900.4382	NA	PeJP	NA	NA
+PJ072411	SPPCRRW 	C39H60N14O9S	900.4389	NA	PeJP	NA	NA
+PJ072412	APRWWW 	C47H56N12O7	900.4395	NA	PeJP	NA	NA
+PJ072413	SPQEERR 	C35H60N14O14	900.4414	NA	PeJP	NA	NA
+PJ072414	SPLKMYY 	C43H64N8O11S	900.4415	NA	PeJP	NA	NA
+PJ072415	PVTKMYY 	C43H64N8O11S	900.4416	NA	PeJP	NA	NA
+PJ072416	AQKMMHR 	C36H64N14O9S2	900.4422	NA	PeJP	NA	NA
+PJ072417	PPNMMRR 	C36H64N14O9S2	900.4423	NA	PeJP	NA	NA
+PJ072418	TTTTTTLY 	C39H64N8O16	900.444	NA	PeJP	NA	NA
+PJ072419	APTLLEEE 	C39H64N8O16	900.4441	NA	PeJP	NA	NA
+PJ072420	APPLLEMM 	C40H68N8O11S2	900.4449	NA	PeJP	NA	NA
+2609	synthetic peptide inhibitors of (PEP)	IYPVPEPS	900.445	NA	Inhouse_peptide	NA	peptide
+PJ072421	GPKEERW 	C40H60N12O12	900.4454	NA	PeJP	NA	NA
+PJ072422	SSCHRRR 	C33H60N18O10S	900.4461	NA	PeJP	NA	NA
+PJ072423	APHHHFR 	C41H56N16O8	900.4467	NA	PeJP	NA	NA
+PJ072424	GSPPKEMR 	C37H64N12O12S	900.4488	NA	PeJP	NA	NA
+PJ072425	GPVKEWW 	C45H60N10O10	900.4494	NA	PeJP	NA	NA
+PJ072426	ALMHHHR 	C38H60N16O8S	900.4501	NA	PeJP	NA	NA
+MJ097247	24(23?22)-Abeo-16,23:18,20-diepoxycholesta-5,24-diene-3,18,23-triol, 18-Me ether, 3-O-[4-(4-Methoxybenzoyl)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H68O16	900.450736	NA	MeJP	NA	NA
+MJ097248	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H68O16	900.450736	NA	MeJP	NA	NA
+PJ072427	SPDDRRR 	C34H60N16O13	900.4526	NA	PeJP	NA	NA
+PJ072428	GGGGGGGGAAKR 	C34H60N16O13	900.4527	NA	PeJP	NA	NA
+PJ072429	TTLLMHW 	C42H64N10O10S	900.4528	NA	PeJP	NA	NA
+PJ072430	AALFFFW 	C50H60N8O8	900.4534	NA	PeJP	NA	NA
+PJ072431	GVVFFFW 	C50H60N8O8	900.4535	NA	PeJP	NA	NA
+PJ072432	SSSTTKKY 	C38H64N10O15	900.4553	NA	PeJP	NA	NA
+PJ072433	TCKKKMY 	C39H68N10O10S2	900.4562	NA	PeJP	NA	NA
+PJ072434	GPTERRW 	C39H60N14O11	900.4566	NA	PeJP	NA	NA
+PJ072435	GGGGSPKRW 	C39H60N14O11	900.4567	NA	PeJP	NA	NA
+PJ072436	PCLKFFF 	C47H64N8O8S	900.4568	NA	PeJP	NA	NA
+MJ097249	Antibiotic YM 47142 	C43H64N8O13	900.459284	NA	MeJP	NA	NA
+PJ072437	SVLKEYY 	C43H64N8O13	900.4593	NA	PeJP	NA	NA
+PJ072438	PVNEMRR 	C36H64N14O11S	900.46	NA	PeJP	NA	NA
+PJ072439	VVKMMFF 	C44H68N8O8S2	900.4602	NA	PeJP	NA	NA
+PJ072440	PKERWW 	C44H60N12O9	900.4607	NA	PeJP	NA	NA
+PJ072441	GPLLLEEM 	C40H68N8O13S	900.4627	NA	PeJP	NA	NA
+PJ072442	GNNERRR 	C33H60N18O12	900.4639	NA	PeJP	NA	NA
+MJ097250	KSAYMRF amide 	C41H64N12O9S	900.463992	NA	MeJP	NA	NA
+PJ072443	SPPKMRW 	C41H64N12O9S	900.464	NA	PeJP	NA	NA
+PJ072444	PVKWWW 	C49H60N10O7	900.4647	NA	PeJP	NA	NA
+PJ072445	PDKKEER 	C37H64N12O14	900.4665	NA	PeJP	NA	NA
+PJ072446	GGGALLEER 	C37H64N12O14	900.4666	NA	PeJP	NA	NA
+PJ072447	TLLMMHR 	C38H68N12O9S2	900.4674	NA	PeJP	NA	NA
+MetaCyc04278	geranylgeranyl-chlorophyll b []	C55H64N4O6MG1	900.467628	NA	metacyc	NA	NA
+PJ072448	QQQRRW 	C38H60N16O10	900.4679	NA	PeJP	NA	NA
+PJ072449	PTLQKEW 	C42H64N10O12	900.4705	NA	PeJP	NA	NA
+PJ072450	PVDKKEW 	C42H64N10O12	900.4706	NA	PeJP	NA	NA
+PJ072451	SSKMHRR 	C35H64N16O10S	900.4712	NA	PeJP	NA	NA
+PJ072452	GPEMRRR 	C35H64N16O10S	900.4713	NA	PeJP	NA	NA
+MJ097251	28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone, 3-O-[?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097252	28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone, 3-O-[?-L-arabinopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097253	3,23-Dihydroxyspirostan-26-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097254	3,26-Dihydroxycholest-5-ene-16,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097255	Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097256	Nuatigenin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097257	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097258	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097259	Spirost-5-en-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097260	Spirost-5-ene-1,3,24-triol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-fucopyranoside], 24-O-?-D-glucopyranoside 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097261	Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097262	Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097263	Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097264	Spirost-5-ene-3,17,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097265	Spirost-5-ene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097266	Spirost-5-ene-3,24-diol, 3-O-Neohesperidoside 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097267	Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+MJ097268	Spirost-5-ene-3,27-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H72O18	900.471865	NA	MeJP	NA	NA
+PJ072453	PTRRWW 	C43H60N14O8	900.4719	NA	PeJP	NA	NA
+PJ072454	SSTLLLMH 	C39H68N10O12S	900.4739	NA	PeJP	NA	NA
+PJ072455	PPLLEFW 	C47H64N8O10	900.4746	NA	PeJP	NA	NA
+PJ072456	GPVMRRW 	C40H64N14O8S	900.4753	NA	PeJP	NA	NA
+PJ072457	SPKEERR 	C36H64N14O13	900.4778	NA	PeJP	NA	NA
+PJ072458	ALLKMYY 	C44H68N8O10S	900.4779	NA	PeJP	NA	NA
+PJ072459	PLLLEMW 	C44H68N8O10S	900.478	NA	PeJP	NA	NA
+PJ072460	AKKMMHR 	C37H68N14O8S2	900.4786	NA	PeJP	NA	NA
+PJ072461	NNRRRW 	C37H60N18O9	900.4791	NA	PeJP	NA	NA
+PJ072462	SPTLLLEE 	C40H68N8O15	900.4804	NA	PeJP	NA	NA
+PJ072463	GVLLLEEE 	C40H68N8O15	900.4805	NA	PeJP	NA	NA
+PJ072464	SPPLLLMM 	C41H72N8O10S2	900.4813	NA	PeJP	NA	NA
+PJ072465	SPVKERW 	C41H64N12O11	900.4818	NA	PeJP	NA	NA
+PJ072466	PLQKEMR 	C38H68N12O11S	900.4852	NA	PeJP	NA	NA
+PJ072467	APTLKWW 	C46H64N10O9	900.4858	NA	PeJP	NA	NA
+PJ072468	PMRRRW 	C39H64N16O7S	900.4865	NA	PeJP	NA	NA
+MJ097269	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H72O15	900.487121	NA	MeJP	NA	NA
+PJ072469	GVEERRR 	C35H64N16O12	900.489	NA	PeJP	NA	NA
+PJ072470	PVLQKMW 	C43H68N10O9S	900.4892	NA	PeJP	NA	NA
+PJ072471	LLLEEER 	C39H68N10O14	900.4917	NA	PeJP	NA	NA
+PJ072472	GPPLKKMM 	C40H72N10O9S2	900.4926	NA	PeJP	NA	NA
+PJ072473	AALERRW 	C40H64N14O10	900.493	NA	PeJP	NA	NA
+PJ072474	VLLLEEW 	C44H68N8O12	900.4957	NA	PeJP	NA	NA
+PJ072475	PVDKMRR 	C37H68N14O10S	900.4964	NA	PeJP	NA	NA
+PJ072476	LLQRWW 	C45H64N12O8	900.497	NA	PeJP	NA	NA
+PJ072477	GALLRWW 	C45H64N12O8	900.4971	NA	PeJP	NA	NA
+PJ072478	SPVLLLEM 	C41H72N8O12S	900.4991	NA	PeJP	NA	NA
+PJ072479	EERRRR 	C34H64N18O11	900.5002	NA	PeJP	NA	NA
+PJ072480	GGGDKRRR 	C34H64N18O11	900.5003	NA	PeJP	NA	NA
+PJ072481	APLKMRW 	C42H68N12O8S	900.5004	NA	PeJP	NA	NA
+PJ072482	VLQKEER 	C38H68N12O13	900.5029	NA	PeJP	NA	NA
+PJ072483	VKKKMMH 	C39H72N12O8S2	900.5038	NA	PeJP	NA	NA
+PJ072484	VERRRW 	C39H64N16O9	900.5043	NA	PeJP	NA	NA
+PJ072485	PTLKKEW 	C43H68N10O11	900.5069	NA	PeJP	NA	NA
+PJ072486	GGVLLKEW 	C43H68N10O11	900.507	NA	PeJP	NA	NA
+PJ072487	SPVMRRR 	C36H68N16O9S	900.5076	NA	PeJP	NA	NA
+MJ097270	13,28-Epoxy-3,16,22-oleananetriol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C46H76O17	900.508251	NA	MeJP	NA	NA
+MJ097271	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-xylopyranoside 	C46H76O17	900.508251	NA	MeJP	NA	NA
+PJ072488	VVRRWW 	C44H64N14O7	900.5083	NA	PeJP	NA	NA
+PJ072489	GPVLKKEM 	C40H72N10O11S	900.5103	NA	PeJP	NA	NA
+PJ072490	PPLLLYW 	C48H68N8O9	900.511	NA	PeJP	NA	NA
+PJ072491	GSNRRRR 	C33H64N20O10	900.5115	NA	PeJP	NA	NA
+PJ072492	ASPTTLRR 	C37H68N14O12	900.5141	NA	PeJP	NA	NA
+PJ072493	ALKEERR 	C37H68N14O12	900.5142	NA	PeJP	NA	NA
+PJ072494	APPLLLMF 	C45H72N8O9S	900.5143	NA	PeJP	NA	NA
+PJ072495	APKHHRR 	C38H64N18O8	900.5155	NA	PeJP	NA	NA
+PJ072496	ATLLLLEE 	C41H72N8O14	900.5168	NA	PeJP	NA	NA
+MJ097272	Lycogaride C 	C57H72O9	900.517633	NA	MeJP	NA	NA
+PJ072497	APLLLLMM 	C42H76N8O9S2	900.5177	NA	PeJP	NA	NA
+PJ072498	GLLKERW 	C42H68N12O10	900.5182	NA	PeJP	NA	NA
+PJ072499	LLLQQMR 	C39H72N12O10S	900.5215	NA	PeJP	NA	NA
+PJ072500	PLKKEMR 	C39H72N12O10S	900.5216	NA	PeJP	NA	NA
+PJ072501	GVLLKWW 	C47H68N10O8	900.5222	NA	PeJP	NA	NA
+MJ097273	Avermectin A1c 	C50H76O14	900.523507	NA	MeJP	NA	NA
+MJ097274	Avermectin B1d 	C50H76O14	900.523507	NA	MeJP	NA	NA
+PJ072502	ATLERRR 	C36H68N16O11	900.5254	NA	PeJP	NA	NA
+PJ072503	PVLKKMW 	C44H72N10O8S	900.5256	NA	PeJP	NA	NA
+PJ072504	AALLKKEE 	C40H72N10O13	900.5281	NA	PeJP	NA	NA
+PJ072505	GTLLRRW 	C41H68N14O9	900.5294	NA	PeJP	NA	NA
+PJ072506	SPPVLLLY 	C45H72N8O11	900.5321	NA	PeJP	NA	NA
+PJ072507	PTLKMRR 	C38H72N14O9S	900.5328	NA	PeJP	NA	NA
+PJ072508	LLKRWW 	C46H68N12O7	900.5334	NA	PeJP	NA	NA
+PJ072509	GLLLLLEM 	C42H76N8O11S	900.5355	NA	PeJP	NA	NA
+PJ072510	GTQKRRR 	C35H68N18O10	900.5366	NA	PeJP	NA	NA
+PJ072511	VLKKEER 	C39H72N12O12	900.5393	NA	PeJP	NA	NA
+PJ072512	QKKRRW 	C40H68N16O8	900.5406	NA	PeJP	NA	NA
+PJ072513	GAKKRRW 	C40H68N16O8	900.5407	NA	PeJP	NA	NA
+PJ072514	VVLKKEW 	C44H72N10O10	900.5433	NA	PeJP	NA	NA
+PJ072515	GLLMRRR 	C37H72N16O8S	900.544	NA	PeJP	NA	NA
+MJ097275	1,3,9,15,21,27,33,39-Nonatriacontaneoctacarboxylic acid 	C47H80O16	900.544636	NA	MeJP	NA	NA
+MJ097276	3,16,22-Hopanetriol, 3-O-?-L-Arabinopyranoside, 22-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C47H80O16	900.544636	NA	MeJP	NA	NA
+MJ097277	Antibiotic BL 580; Antibiotic BL 580? 	C47H80O16	900.544636	NA	MeJP	NA	NA
+MJ097278	Antibiotic W 341C 	C47H80O16	900.544636	NA	MeJP	NA	NA
+MJ097279	Cytovaricin 	C47H80O16	900.544636	NA	MeJP	NA	NA
+PJ072516	APTLLKKM 	C41H76N10O10S	900.5467	NA	PeJP	NA	NA
+PJ072517	PLLLLFW 	C49H72N8O8	900.5474	NA	PeJP	NA	NA
+PJ072518	SLLKERR 	C38H72N14O11	900.5505	NA	PeJP	NA	NA
+PJ072519	GGVKKKER 	C38H72N14O11	900.5506	NA	PeJP	NA	NA
+PJ072520	LLLLLMW 	C46H76N8O8S	900.5507	NA	PeJP	NA	NA
+PJ072521	STLLLLLE 	C42H76N8O13	900.5532	NA	PeJP	NA	NA
+PJ072522	SVLLKRW 	C43H72N12O9	900.5546	NA	PeJP	NA	NA
+PJ072523	LLLQKMR 	C40H76N12O9S	900.5579	NA	PeJP	NA	NA
+PJ072524	STLLRRR 	C37H72N16O10	900.5618	NA	PeJP	NA	NA
+PJ072525	STLLLLNK 	C41H76N10O12	900.5644	NA	PeJP	NA	NA
+PJ072526	GTLLLKKE 	C41H76N10O12	900.5645	NA	PeJP	NA	NA
+PJ072527	GVKKKRW 	C42H72N14O8	900.5658	NA	PeJP	NA	NA
+PJ072528	GPLLLLLY 	C46H76N8O10	900.5685	NA	PeJP	NA	NA
+PJ072529	VVLKMRR 	C39H76N14O8S	900.5692	NA	PeJP	NA	NA
+PJ072530	SVLLLLLM 	C43H80N8O10S	900.5719	NA	PeJP	NA	NA
+PJ072531	GTKKRRR 	C36H72N18O9	900.573	NA	PeJP	NA	NA
+PJ072532	GTTLLLKR 	C40H76N12O11	900.5757	NA	PeJP	NA	NA
+MJ097280	Pheophytins 	C56H76N4O6	900.576486	NA	MeJP	NA	NA
+PJ072533	KKKRRW 	C41H72N16O7	900.577	NA	PeJP	NA	NA
+PJ072534	TLLLKKW 	C45H76N10O9	900.5797	NA	PeJP	NA	NA
+PJ072535	GVLLLKKM 	C42H80N10O9S	900.5831	NA	PeJP	NA	NA
+PJ072536	VDKKKKR 	C39H76N14O10	900.5869	NA	PeJP	NA	NA
+PJ072537	ALKKKKW 	C44H76N12O8	900.591	NA	PeJP	NA	NA
+PJ072538	LLLKKMR 	C41H80N12O8S	900.5943	NA	PeJP	NA	NA
+PJ072539	SVKKKRR 	C38H76N16O9	900.5982	NA	PeJP	NA	NA
+PJ072540	SSLLLLKK 	C42H80N10O11	900.6008	NA	PeJP	NA	NA
+PJ072541	GLLLLLLF 	C47H80N8O9	900.6049	NA	PeJP	NA	NA
+PJ072542	LKKKKKE 	C41H80N12O10	900.6121	NA	PeJP	NA	NA
+PJ072543	TLKKKKR 	C40H80N14O9	900.6233	NA	PeJP	NA	NA
+C13867	1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-	C57H88O8	900.6479	NA	KEGG	NA	NA
+C13868	Transferred to D02149	C57H88O8	900.6479	NA	KEGG	NA	NA
+MJ097281	1,2-Diphytanylglyceryl-3-phosphorylglycerol; 3''-(O-Methylphosphate) 	C47H98O11P2	900.658437	NA	MeJP	NA	NA
+MJ097282	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-docosanoyl 	C58H92O7	900.684305	NA	MeJP	NA	NA
+MJ097283	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 10,11-Dihydro, 11-hydroxy, 1-O-?-glucopyranoside 	C51H96O12	900.690178	NA	MeJP	NA	NA
+HMDB05448	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H96O6	900.7207	http://www.hmdb.ca/metabolites/HMDB05448	HMDB	NA	NA
+HMDB05448	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H96O6	900.7207	HMDB05448	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05448	TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H96O6	900.720703	NA	HMDB2010	NA	NA
+HMDB10493	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	C59H96O6	900.720703	NA	HMDB2010	NA	NA
+HMDB10500	TG(18:3(9Z,12Z,15Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C59H96O6	900.720703	NA	HMDB2010	NA	NA
+HMDB10504	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C59H96O6	900.720703	NA	HMDB2010	NA	NA
+HMDB10527	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]	C59H96O6	900.720703	NA	HMDB2010	NA	NA
+MJ097284	1-Tetratriacontanol; Octacosanoyl 	C62H124O2	900.960133	NA	MeJP	NA	NA
+MJ097285	Dotriacontanoic acid; Triacontanyl ester 	C62H124O2	900.960133	NA	MeJP	NA	NA
+5444	tryptophan-modified murine lactoferricin (LFM W8)	EKCLRWQWEMRKVGG	900.9622	MH2+	Inhouse_peptide	NA	peptide
+HMDB03967	4-Hydroxyphenylacetyl-CoA	C29H42N7O18P3S	901.151978	NA	HMDB2010	NA	NA
+HMDB03967	4-Hydroxyphenylacetyl-CoA	C29H42N7O18P3S	901.15198	http://www.hmdb.ca/metabolites/HMDB03967	HMDB	NA	NA
+HMDB03967	4-Hydroxyphenylacetyl-CoA	C29H42N7O18P3S	901.15198	HMDB03967	PFEM_hmdb_metabocards_official	NA	NA
+MJ097286	4-Hydroxyphenylacetyl-CoA 	C29H42N7O18P3S	901.151987	NA	MeJP	NA	NA
+C02577	Phenoxyacetyl-CoA	C29H42N7O18P3S	901.152	NA	KEGG	NA	NA
+C05338	4-Hydroxyphenylacetyl-CoA	C29H42N7O18P3S	901.152	NA	KEGG	NA	NA
+PJ072544	CCCCCCQH 	C29H47N11O10S6	901.1832	NA	PeJP	NA	NA
+PJ072545	CCCNDDDD 	C29H43N9O18S3	901.1889	NA	PeJP	NA	NA
+PJ072546	GSSCCCCCH 	C29H47N11O12S5	901.201	NA	PeJP	NA	NA
+FL7AAGGL0030	Acetylmalonylawobanin;Delphinidin 3-O-[6-O-(p-coumaroyl)-beta-D-glucopyranoside]-5-O-[4-O-acetyl-6-O-malonyl-beta-D-glucopyranoside]	C41H41O23	901.20386	250344-52-6	knapsack	NA	NA
+PJ072547	GSPCCCCDD 	C30H47N9O15S4	901.2075	NA	PeJP	NA	NA
+PJ072548	APPCCCCCC 	C31H51N9O10S6	901.2084	NA	PeJP	NA	NA
+PJ072549	CCCCNNNE 	C29H47N11O14S4	901.2187	NA	PeJP	NA	NA
+PJ072550	CCCCCCKH 	C30H51N11O9S6	901.2196	NA	PeJP	NA	NA
+PJ072551	SCCNDDDM 	C30H47N9O17S3	901.2252	NA	PeJP	NA	NA
+PJ072552	GGSCCDDDM 	C30H47N9O17S3	901.2253	NA	PeJP	NA	NA
+PJ072553	PCCCCNEM 	C31H51N9O12S5	901.2261	NA	PeJP	NA	NA
+PJ072554	GCCCCNNW 	C33H47N11O11S4	901.234	NA	PeJP	NA	NA
+PJ072555	GSSCCCNND 	C29H47N11O16S3	901.2365	NA	PeJP	NA	NA
+PJ072556	PCCCCCDR 	C30H51N11O11S5	901.2374	NA	PeJP	NA	NA
+PJ072557	GSCCCDEW 	C34H47N9O14S3	901.2405	NA	PeJP	NA	NA
+PJ072558	GPCCCCMW 	C35H51N9O9S5	901.2414	NA	PeJP	NA	NA
+PJ072559	GSSSCCDDE 	C30H47N9O19S2	901.243	NA	PeJP	NA	NA
+PJ072560	GCCNDEMM 	C31H51N9O14S4	901.2439	NA	PeJP	NA	NA
+PJ072561	GCCCDDMR 	C30H51N11O13S4	901.2551	NA	PeJP	NA	NA
+PJ072562	SCCCDWW 	C38H47N9O11S3	901.2558	NA	PeJP	NA	NA
+PJ072563	SSSCCDDW 	C34H47N9O16S2	901.2583	NA	PeJP	NA	NA
+PJ072564	CCNDMMW 	C35H51N9O11S4	901.2591	NA	PeJP	NA	NA
+PJ072565	SSSSSCDDD 	C30H47N9O21S	901.2608	NA	PeJP	NA	NA
+PJ072566	SSCNDDMM 	C31H51N9O16S3	901.2616	NA	PeJP	NA	NA
+PJ072567	SPCCCQMM 	C32H55N9O11S5	901.2625	NA	PeJP	NA	NA
+PJ072568	GCCCNEHH 	C32H47N13O12S3	901.263	NA	PeJP	NA	NA
+PJ072569	DDDDEMY 	C35H47N7O19S	901.2648	NA	PeJP	NA	NA
+PJ072570	SCCCCNNR 	C29H51N13O12S4	901.2663	NA	PeJP	NA	NA
+PJ072571	GGGGSCCCCR 	C29H51N13O12S4	901.2664	NA	PeJP	NA	NA
+PJ072572	GNDDDDDH 	C32H43N11O20	901.2686	NA	PeJP	NA	NA
+PJ072573	DDEMMMM 	C33H55N7O14S4	901.269	NA	PeJP	NA	NA
+PJ072574	GCCNNNDY 	C33H47N11O15S2	901.2695	NA	PeJP	NA	NA
+PJ072575	CCCCERW 	C34H51N11O10S4	901.2704	NA	PeJP	NA	NA
+PJ072576	SSCCCDER 	C30H51N11O15S3	901.2729	NA	PeJP	NA	NA
+PJ072577	CCNDDFW 	C38H47N9O13S2	901.2735	NA	PeJP	NA	NA
+PJ072578	SPCCCCMR 	C31H55N11O10S5	901.2737	NA	PeJP	NA	NA
+MJ097287	Sarcinapterin 	C35H48N7O19P	901.274258	NA	MeJP	NA	NA
+MetaCyc04279	tetrahydrosarcinapterin [H4SPT;5,6,7,8-tetrahydrosarcinapterin;]	C35H48N7O19P1	901.274259	NA	metacyc	NA	NA
+PJ072579	ACCCMWW 	C39H51N9O8S4	901.2744	NA	PeJP	NA	NA
+PJ072580	GSCNDDEY 	C34H47N9O18S	901.276	NA	PeJP	NA	NA
+PJ072581	GSSCCEMW 	C35H51N9O13S3	901.2769	NA	PeJP	NA	NA
+PJ072582	CCMMMHF 	C36H55N9O8S5	901.2778	NA	PeJP	NA	NA
+PJ072583	CCCNHHW 	C36H47N13O9S3	901.2782	NA	PeJP	NA	NA
+PJ072584	GSSSSCDEM 	C31H51N9O18S2	901.2794	NA	PeJP	NA	NA
+PJ072585	GSCNEMMM 	C32H55N9O13S4	901.2803	NA	PeJP	NA	NA
+PJ072586	SSCCNDHH 	C32H47N13O14S2	901.2807	NA	PeJP	NA	NA
+PJ072587	GCCMYYY 	C40H51N7O11S3	901.2809	NA	PeJP	NA	NA
+PJ072588	DDDEMMF 	C36H51N7O16S2	901.2834	NA	PeJP	NA	NA
+PJ072589	SPCNDDDH 	C33H47N11O17S	901.2873	NA	PeJP	NA	NA
+PJ072590	GCCNNNMF 	C34H51N11O12S3	901.2881	NA	PeJP	NA	NA
+PJ072591	SSSSSCCNQ 	C30H51N11O17S2	901.2906	NA	PeJP	NA	NA
+PJ072592	SCNDDYW 	C38H47N9O15S	901.2913	NA	PeJP	NA	NA
+PJ072593	GSCCDMMR 	C31H55N11O12S4	901.2915	NA	PeJP	NA	NA
+PJ072594	SSCCMWW 	C39H51N9O10S3	901.2921	NA	PeJP	NA	NA
+PJ072595	SSSNDDDY 	C34H47N9O20	901.2938	NA	PeJP	NA	NA
+PJ072596	SSSSCDMW 	C35H51N9O15S2	901.2946	NA	PeJP	NA	NA
+PJ072597	GGGGDDMMY 	C35H51N9O15S2	901.2947	NA	PeJP	NA	NA
+PJ072598	SCNMMMW 	C36H55N9O10S4	901.2955	NA	PeJP	NA	NA
+PJ072599	SSSSSSDDM 	C31H51N9O20S	901.2971	NA	PeJP	NA	NA
+PJ072600	PDDDDYY 	C39H47N7O18	901.2978	NA	PeJP	NA	NA
+PJ072601	SSSNDMMM 	C32H55N9O15S3	901.298	NA	PeJP	NA	NA
+PJ072602	GCNNNDEH 	C32H47N13O16S	901.2985	NA	PeJP	NA	NA
+PJ072603	STCCYYY 	C40H51N7O13S2	901.2986	NA	PeJP	NA	NA
+PJ072604	NNMMMMM 	C33H59N9O10S5	901.2989	NA	PeJP	NA	NA
+PJ072605	GSCCQMHH 	C33H51N13O11S3	901.2994	NA	PeJP	NA	NA
+PJ072606	SDEEEMY 	C36H51N7O18S	901.3012	NA	PeJP	NA	NA
+PJ072607	PDDMMMY 	C37H55N7O13S3	901.302	NA	PeJP	NA	NA
+PJ072608	CDDEHHF 	C37H47N11O14S	901.3025	NA	PeJP	NA	NA
+PJ072609	GPPCCCHW 	C38H51N11O9S3	901.3034	NA	PeJP	NA	NA
+PJ072610	GSNDDEEH 	C33H47N11O19	901.305	NA	PeJP	NA	NA
+PJ072611	TEEMMMM 	C34H59N7O13S4	901.3054	NA	PeJP	NA	NA
+PJ072612	CCNDERY 	C34H51N11O14S2	901.3059	NA	PeJP	NA	NA
+PJ072613	PMMMMMM 	C35H63N7O8S6	901.3063	NA	PeJP	NA	NA
+PJ072614	TCCCMRW 	C35H55N11O9S4	901.3067	NA	PeJP	NA	NA
+PJ072615	APCCCCFR 	C35H55N11O9S4	901.3068	NA	PeJP	NA	NA
+PJ072616	CCEHHHH 	C35H47N15O10S2	901.3072	NA	PeJP	NA	NA
+PJ072617	GSSSSSSSCN 	C30H51N11O19S	901.3084	NA	PeJP	NA	NA
+PJ072618	NNDDDFY 	C38H47N9O17	901.309	NA	PeJP	NA	NA
+PJ072619	SSSCCEMR 	C31H55N11O14S3	901.3092	NA	PeJP	NA	NA
+PJ072620	GGGSSTCCCK 	C31H55N11O14S3	901.3093	NA	PeJP	NA	NA
+PJ072621	GCNEMYW 	C39H51N9O12S2	901.3099	NA	PeJP	NA	NA
+PJ072622	CCQMMMR 	C32H59N11O9S5	901.3101	NA	PeJP	NA	NA
+PJ072623	GSCCCHHR 	C32H51N15O10S3	901.3106	NA	PeJP	NA	NA
+PJ072624	GSSNDEMY 	C35H51N9O17S	901.3124	NA	PeJP	NA	NA
+PJ072625	GSSTCMMW 	C36H55N9O12S3	901.3133	NA	PeJP	NA	NA
+PJ072626	CNNNDHW 	C36H47N13O13S	901.3137	NA	PeJP	NA	NA
+PJ072627	GGGGCNDHW 	C36H47N13O13S	901.3138	NA	PeJP	NA	NA
+PJ072628	GCCFFYY 	C44H51N7O10S2	901.3139	NA	PeJP	NA	NA
+PJ072629	GSSSSSEMM 	C32H55N9O17S2	901.3158	NA	PeJP	NA	NA
+PJ072630	SSNNNDDH 	C32H47N13O18	901.3162	NA	PeJP	NA	NA
+PJ072631	GGGGSSNDDH 	C32H47N13O18	901.3163	NA	PeJP	NA	NA
+PJ072632	PDDDMFY 	C40H51N7O15S	901.3164	NA	PeJP	NA	NA
+PJ072633	GSSQMMMM 	C33H59N9O12S4	901.3166	NA	PeJP	NA	NA
+PJ072634	GPCCDDHR 	C33H51N13O13S2	901.3171	NA	PeJP	NA	NA
+PJ072635	AEEEMMY 	C37H55N7O15S2	901.3198	NA	PeJP	NA	NA
+PJ072636	SNDDEHW 	C37H47N11O16	901.3203	NA	PeJP	NA	NA
+PJ072637	PDMMMMF 	C38H59N7O10S4	901.3207	NA	PeJP	NA	NA
+PJ072638	GCCDRYW 	C38H51N11O11S2	901.3211	NA	PeJP	NA	NA
+PJ072639	CCCMMRR 	C31H59N13O8S5	901.3214	NA	PeJP	NA	NA
+PJ072640	GSSCDDRY 	C34H51N11O16S	901.3236	NA	PeJP	NA	NA
+PJ072641	GGGGEEEMH 	C34H51N11O16S	901.3237	NA	PeJP	NA	NA
+PJ072642	VEMMMMM 	C35H63N7O10S5	901.324	NA	PeJP	NA	NA
+PJ072643	GPTCCCRY 	C35H55N11O11S3	901.3245	NA	PeJP	NA	NA
+PJ072644	CNMYWW 	C43H51N9O9S2	901.3251	NA	PeJP	NA	NA
+PJ072645	GGCMYWW 	C43H51N9O9S2	901.3252	NA	PeJP	NA	NA
+PJ072646	SSSSSCCNK 	C31H55N11O16S2	901.327	NA	PeJP	NA	NA
+PJ072647	SSNDMYW 	C39H51N9O14S	901.3276	NA	PeJP	NA	NA
+PJ072648	GGSSDMYW 	C39H51N9O14S	901.3277	NA	PeJP	NA	NA
+PJ072649	GSSCMMMR 	C32H59N11O11S4	901.3279	NA	PeJP	NA	NA
+PJ072650	PCCCKYW 	C40H55N9O9S3	901.3285	NA	PeJP	NA	NA
+PJ072651	SSSSNEEY 	C35H51N9O19	901.3301	NA	PeJP	NA	NA
+PJ072652	GGSSSSEEY 	C35H51N9O19	901.3302	NA	PeJP	NA	NA
+PJ072653	SSSSSMMW 	C36H55N9O14S2	901.331	NA	PeJP	NA	NA
+PJ072654	CQYYYY 	C44H51N7O12S	901.3317	NA	PeJP	NA	NA
+PJ072655	TCCKMMW 	C37H59N9O9S4	901.3319	NA	PeJP	NA	NA
+PJ072656	CNNMHHF 	C37H51N13O10S2	901.3324	NA	PeJP	NA	NA
+PJ072657	SSSSSSTEM 	C32H55N9O19S	901.3335	NA	PeJP	NA	NA
+PJ072658	SPDEEYY 	C40H51N7O17	901.3342	NA	PeJP	NA	NA
+PJ072659	SSSTQMMM 	C33H59N9O14S3	901.3344	NA	PeJP	NA	NA
+PJ072660	NDDDMHR 	C33H51N13O15S	901.3349	NA	PeJP	NA	NA
+PJ072661	PPCEMYY 	C41H55N7O12S2	901.335	NA	PeJP	NA	NA
+PJ072662	PDDMMFF 	C41H55N7O12S2	901.3351	NA	PeJP	NA	NA
+PJ072663	CQKMMMM 	C34H63N9O9S5	901.3353	NA	PeJP	NA	NA
+PJ072664	GSDDHWW 	C41H47N11O13	901.3355	NA	PeJP	NA	NA
+PJ072665	CCCDFRR 	C34H55N13O10S3	901.3357	NA	PeJP	NA	NA
+PJ072666	APCCHWW 	C42H51N11O8S2	901.3364	NA	PeJP	NA	NA
+PJ072667	TTEEEMY 	C37H55N7O17S	901.3375	NA	PeJP	NA	NA
+PJ072668	PTEMMMY 	C38H59N7O12S3	901.3384	NA	PeJP	NA	NA
+PJ072669	GNEEMHW 	C38H51N11O13S	901.3389	NA	PeJP	NA	NA
+PJ072670	GCCMFRW 	C39H55N11O8S3	901.3398	NA	PeJP	NA	NA
+PJ072671	GSSSSSNNY 	C34H51N11O18	901.3414	NA	PeJP	NA	NA
+PJ072672	SCNEMRY 	C35H55N11O13S2	901.3423	NA	PeJP	NA	NA
+PJ072673	NNDEHHH 	C35H47N15O14	901.3427	NA	PeJP	NA	NA
+PJ072674	GGGGDEHHH 	C35H47N15O14	901.3428	NA	PeJP	NA	NA
+PJ072675	GSTCYWW 	C43H51N9O11S	901.3429	NA	PeJP	NA	NA
+PJ072676	CLMMMHH 	C36H59N11O8S4	901.3431	NA	PeJP	NA	NA
+PJ072677	TCMHHHH 	C36H51N15O9S2	901.3436	NA	PeJP	NA	NA
+PJ072678	GSSSSEYW 	C39H51N9O16	901.3454	NA	PeJP	NA	NA
+PJ072679	SSSTCMMR 	C32H59N11O13S3	901.3456	NA	PeJP	NA	NA
+PJ072680	GSCNNDHR 	C32H51N15O14S	901.3461	NA	PeJP	NA	NA
+PJ072681	GSQMMYW 	C40H55N9O11S2	901.3463	NA	PeJP	NA	NA
+PJ072682	CCKMMMR 	C33H63N11O8S5	901.3465	NA	PeJP	NA	NA
+PJ072683	GSSTQEMY 	C36H55N9O16S	901.3488	NA	PeJP	NA	NA
+PJ072684	EEEFYW 	C44H51N7O14	901.3494	NA	PeJP	NA	NA
+PJ072685	AQQMMMY 	C37H59N9O11S3	901.3496	NA	PeJP	NA	NA
+PJ072686	GAAQMMMY 	C37H59N9O11S3	901.3497	NA	PeJP	NA	NA
+PJ072687	GCDEHRW 	C37H51N13O12S	901.3501	NA	PeJP	NA	NA
+PJ072688	GGGGGGGPCHF 	C37H51N13O12S	901.3502	NA	PeJP	NA	NA
+PJ072689	GSSSTTTMM 	C33H59N9O16S2	901.3521	NA	PeJP	NA	NA
+PJ072690	GSSDDEHR 	C33H51N13O17	901.3526	NA	PeJP	NA	NA
+PJ072691	GGGGGPDDDR 	C33H51N13O17	901.3527	NA	PeJP	NA	NA
+PJ072692	APEEMYY 	C41H55N7O14S	901.3528	NA	PeJP	NA	NA
+PJ072693	GSSKMMMM 	C34H63N9O11S4	901.353	NA	PeJP	NA	NA
+PJ072694	SCCDRRY 	C34H55N13O12S2	901.3535	NA	PeJP	NA	NA
+PJ072695	NEMHWW 	C42H51N11O10S	901.3541	NA	PeJP	NA	NA
+PJ072696	GGEMHWW 	C42H51N11O10S	901.3542	NA	PeJP	NA	NA
+PJ072697	SLEEMMY 	C38H59N7O14S2	901.3562	NA	PeJP	NA	NA
+PJ072698	SSQEEHW 	C38H51N11O15	901.3566	NA	PeJP	NA	NA
+PJ072699	GGSTEEHW 	C38H51N11O15	901.3567	NA	PeJP	NA	NA
+PJ072700	PVMMMMY 	C39H63N7O9S4	901.357	NA	PeJP	NA	NA
+PJ072701	GSCMRYW 	C39H55N11O10S2	901.3575	NA	PeJP	NA	NA
+PJ072702	GNDHHHW 	C39H47N15O11	901.358	NA	PeJP	NA	NA
+PJ072703	CNFFWW 	C47H51N9O8S	901.3582	NA	PeJP	NA	NA
+PJ072704	GSSSDMRY 	C35H55N11O15S	901.36	NA	PeJP	NA	NA
+PJ072705	SSSSYWW 	C43H51N9O13	901.3606	NA	PeJP	NA	NA
+PJ072706	SPPDDWW 	C43H51N9O13	901.3607	NA	PeJP	NA	NA
+PJ072707	GNMMMRY 	C36H59N11O10S3	901.3609	NA	PeJP	NA	NA
+PJ072708	GSPCQHHH 	C36H51N15O11S	901.3614	NA	PeJP	NA	NA
+PJ072709	ACMHFFF 	C44H55N9O8S2	901.3615	NA	PeJP	NA	NA
+PJ072710	GNNNNNQQ 	C32H51N15O16	901.3638	NA	PeJP	NA	NA
+PJ072711	GGGNNNNQQ 	C32H51N15O16	901.3639	NA	PeJP	NA	NA
+PJ072712	SSTQMYW 	C40H55N9O13S	901.364	NA	PeJP	NA	NA
+PJ072713	GGPPEEMW 	C40H55N9O13S	901.3641	NA	PeJP	NA	NA
+PJ072714	SCCCCKKK 	C33H63N11O10S4	901.3643	NA	PeJP	NA	NA
+PJ072715	CNNQMHR 	C33H55N15O11S2	901.3647	NA	PeJP	NA	NA
+PJ072716	GGGGGACMHR 	C33H55N15O11S2	901.3648	NA	PeJP	NA	NA
+PJ072717	GCKMMFW 	C41H59N9O8S3	901.3649	NA	PeJP	NA	NA
+PJ072718	CDHRWW 	C41H51N13O9S	901.3654	NA	PeJP	NA	NA
+PJ072719	SSSSDKEY 	C36H55N9O18	901.3665	NA	PeJP	NA	NA
+PJ072720	AAPQEEEE 	C36H55N9O18	901.3666	NA	PeJP	NA	NA
+PJ072721	SNKEMMY 	C37H59N9O13S2	901.3674	NA	PeJP	NA	NA
+PJ072722	SSDDHRW 	C37H51N13O14	901.3679	NA	PeJP	NA	NA
+PJ072723	CKYYYY 	C45H55N7O11S	901.368	NA	PeJP	NA	NA
+PJ072724	PPPCYYY 	C45H55N7O11S	901.3681	NA	PeJP	NA	NA
+PJ072725	PTCCHRW 	C38H55N13O9S2	901.3688	NA	PeJP	NA	NA
+PJ072726	GMHWWW 	C46H51N11O7S	901.3694	NA	PeJP	NA	NA
+PJ072727	SSSSTTTTM 	C33H59N9O18S	901.3699	NA	PeJP	NA	NA
+PJ072728	GLEEEYY 	C41H55N7O16	901.3706	NA	PeJP	NA	NA
+PJ072729	SSSTKMMM 	C34H63N9O13S3	901.3708	NA	PeJP	NA	NA
+PJ072730	GSSQQQMH 	C34H55N13O14S	901.3712	NA	PeJP	NA	NA
+PJ072731	SNEEMHR 	C34H55N13O14S	901.3713	NA	PeJP	NA	NA
+PJ072732	PPTMMYY 	C42H59N7O11S2	901.3714	NA	PeJP	NA	NA
+PJ072733	CKKMMMM 	C35H67N9O8S5	901.3717	NA	PeJP	NA	NA
+PJ072734	GSTEHWW 	C42H51N11O12	901.3719	NA	PeJP	NA	NA
+PJ072735	ACCMRRY 	C35H59N13O9S3	901.3721	NA	PeJP	NA	NA
+PJ072736	VVEMMMY 	C39H63N7O11S3	901.3748	NA	PeJP	NA	NA
+PJ072737	SSTCRYW 	C39H55N11O12S	901.3753	NA	PeJP	NA	NA
+PJ072738	GQYYWW 	C47H51N9O10	901.3759	NA	PeJP	NA	NA
+PJ072739	CCNNHRR 	C32H55N17O10S2	901.376	NA	PeJP	NA	NA
+PJ072740	GMHHHHF 	C40H51N15O8S	901.3766	NA	PeJP	NA	NA
+PJ072741	SSSSSERY 	C35H55N11O17	901.3778	NA	PeJP	NA	NA
+PJ072742	SSQMMRY 	C36H59N11O12S2	901.3786	NA	PeJP	NA	NA
+PJ072743	GGGSCCKKY 	C36H59N11O12S2	901.3787	NA	PeJP	NA	NA
+PJ072744	SQQEHHH 	C36H51N15O13	901.3791	NA	PeJP	NA	NA
+PJ072745	GPPEMWW 	C44H55N9O10S	901.3793	NA	PeJP	NA	NA
+PJ072746	GSSTTTYW 	C40H55N9O15	901.3818	NA	PeJP	NA	NA
+PJ072747	SCDEHRR 	C33H55N15O13S	901.3825	NA	PeJP	NA	NA
+PJ072748	GSKMMYW 	C41H59N9O10S2	901.3827	NA	PeJP	NA	NA
+PJ072749	GNNQHFW 	C41H51N13O11	901.3831	NA	PeJP	NA	NA
+PJ072750	GGGGGQHFW 	C41H51N13O11	901.3832	NA	PeJP	NA	NA
+PJ072751	PCCMHRR 	C34H59N15O8S3	901.3834	NA	PeJP	NA	NA
+PJ072752	GSSTKEMY 	C37H59N9O15S	901.3852	NA	PeJP	NA	NA
+PJ072753	LEEYYW 	C45H55N7O13	901.3858	NA	PeJP	NA	NA
+PJ072754	AQKMMMY 	C38H63N9O10S3	901.386	NA	PeJP	NA	NA
+PJ072755	GAAPPPMMM 	C38H63N9O10S3	901.3861	NA	PeJP	NA	NA
+PJ072756	GSEMHRW 	C38H55N13O11S	901.3865	NA	PeJP	NA	NA
+PJ072757	STHWWW 	C46H51N11O9	901.3871	NA	PeJP	NA	NA
+PJ072758	PNNWWW 	C46H51N11O9	901.3872	NA	PeJP	NA	NA
+PJ072759	PDDDERR 	C34H55N13O16	901.389	NA	PeJP	NA	NA
+PJ072760	GGGGGGGGGAAVE 	C34H55N13O16	901.3891	NA	PeJP	NA	NA
+PJ072761	SPLEMYY 	C42H59N7O13S	901.3892	NA	PeJP	NA	NA
+PJ072762	SSCMRRY 	C35H59N13O11S2	901.3899	NA	PeJP	NA	NA
+PJ072763	PVMMMFF 	C43H63N7O8S3	901.3901	NA	PeJP	NA	NA
+PJ072764	SNDHHHR 	C35H51N17O12	901.3903	NA	PeJP	NA	NA
+PJ072765	GGSDHHHR 	C35H51N17O12	901.3904	NA	PeJP	NA	NA
+PJ072766	DKMHWW 	C43H55N11O9S	901.3905	NA	PeJP	NA	NA
+PJ072767	GPEEERW 	C39H55N11O14	901.393	NA	PeJP	NA	NA
+PJ072768	GGGGPDKEW 	C39H55N11O14	901.3931	NA	PeJP	NA	NA
+PJ072769	VLMMMMF 	C40H67N7O8S4	901.3934	NA	PeJP	NA	NA
+PJ072770	GLQMMHW 	C40H59N11O9S2	901.3939	NA	PeJP	NA	NA
+PJ072771	GTQHHHW 	C40H51N15O10	901.3944	NA	PeJP	NA	NA
+PJ072772	PPMWWW 	C48H55N9O7S	901.3946	NA	PeJP	NA	NA
+PJ072773	GSSTTMRY 	C36H59N11O14S	901.3964	NA	PeJP	NA	NA
+PJ072774	SPPTEWW 	C44H55N9O12	901.397	NA	PeJP	NA	NA
+PJ072775	GPVEEWW 	C44H55N9O12	901.3971	NA	PeJP	NA	NA
+PJ072776	ACKMMRY 	C37H63N11O9S3	901.3973	NA	PeJP	NA	NA
+PJ072777	VNQMHHH 	C37H55N15O10S	901.3977	NA	PeJP	NA	NA
+PJ072778	GGVQMHHH 	C37H55N15O10S	901.3978	NA	PeJP	NA	NA
+PJ072779	SSSSNQHR 	C33H55N15O15	901.4002	NA	PeJP	NA	NA
+PJ072780	GGGGSSSTHR 	C33H55N15O15	901.4003	NA	PeJP	NA	NA
+PJ072781	SSTKMYW 	C41H59N9O12S	901.4004	NA	PeJP	NA	NA
+PJ072782	GDMMHRR 	C34H59N15O10S2	901.4011	NA	PeJP	NA	NA
+PJ072783	SMHRWW 	C42H55N13O8S	901.4018	NA	PeJP	NA	NA
+PJ072784	SSSTTKEY 	C37H59N9O17	901.4029	NA	PeJP	NA	NA
+PJ072785	SDKKMMY 	C38H63N9O12S2	901.4038	NA	PeJP	NA	NA
+PJ072786	SSTEHRW 	C38H55N13O13	901.4043	NA	PeJP	NA	NA
+PJ072787	PPCLFYY 	C46H59N7O10S	901.4044	NA	PeJP	NA	NA
+PJ072788	PVDMFFF 	C46H59N7O10S	901.4045	NA	PeJP	NA	NA
+PJ072789	AAMMHRW 	C39H59N13O8S2	901.4051	NA	PeJP	NA	NA
+PJ072790	PTHHHHH 	C39H51N17O9	901.4056	NA	PeJP	NA	NA
+PJ072791	SVLEEYY 	C42H59N7O15	901.4069	NA	PeJP	NA	NA
+PJ072792	SDKEMHR 	C35H59N13O13S	901.4076	NA	PeJP	NA	NA
+PJ072793	GGGAPQEMR 	C35H59N13O13S	901.4077	NA	PeJP	NA	NA
+PJ072794	PVVMMYY 	C43H63N7O10S2	901.4078	NA	PeJP	NA	NA
+PJ072795	PEERWW 	C43H55N11O11	901.4083	NA	PeJP	NA	NA
+PJ072796	PCKMMHR 	C36H63N13O8S3	901.4085	NA	PeJP	NA	NA
+PJ072797	GQMHHHR 	C36H55N17O9S	901.409	NA	PeJP	NA	NA
+PJ072798	TLLMMMY 	C40H67N7O10S3	901.4112	NA	PeJP	NA	NA
+PJ072799	NNNNDRR 	C32H55N17O14	901.4115	NA	PeJP	NA	NA
+PJ072800	STLQMHW 	C40H59N11O11S	901.4116	NA	PeJP	NA	NA
+PJ072801	SPPEMRW 	C40H59N11O11S	901.4117	NA	PeJP	NA	NA
+PJ072802	PVEWWW 	C48H55N9O9	901.4123	NA	PeJP	NA	NA
+PJ072803	SSSTTTRY 	C36H59N11O16	901.4141	NA	PeJP	NA	NA
+PJ072804	PDKEEER 	C36H59N11O16	901.4142	NA	PeJP	NA	NA
+PJ072805	SSKMMRY 	C37H63N11O11S2	901.415	NA	PeJP	NA	NA
+3577	NA	QSQPQAFP	901.415	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ072806	GGGGAPPKMM 	C37H63N11O11S2	901.4151	NA	PeJP	NA	NA
+PJ072807	GNNQQRW 	C37H55N15O12	901.4155	NA	PeJP	NA	NA
+PJ072808	SPPVMWW 	C45H59N9O9S	901.4157	NA	PeJP	NA	NA
+PJ072809	PVDKEEW 	C41H59N9O14	901.4182	NA	PeJP	NA	NA
+PJ072810	SSEMHRR 	C34H59N15O12S	901.4189	NA	PeJP	NA	NA
+PJ072811	AQKMMFF 	C42H63N9O9S2	901.419	NA	PeJP	NA	NA
+PJ072812	PPLQMMW 	C42H63N9O9S2	901.4191	NA	PeJP	NA	NA
+PJ072813	GSPNRWW 	C42H55N13O10	901.4195	NA	PeJP	NA	NA
+PJ072814	GCHHHRR 	C35H55N19O8S	901.4202	NA	PeJP	NA	NA
+PJ072815	SSSSLKMY 	C38H63N9O14S	901.4215	NA	PeJP	NA	NA
+PJ072816	APPTKEEM 	C38H63N9O14S	901.4216	NA	PeJP	NA	NA
+PJ072817	SPPLYYY 	C46H59N7O12	901.4222	NA	PeJP	NA	NA
+PJ072818	AKKMMMY 	C39H67N9O9S3	901.4224	NA	PeJP	NA	NA
+PJ072819	ATTMHRW 	C39H59N13O10S	901.4229	NA	PeJP	NA	NA
+PJ072820	VQHFWW 	C47H55N11O8	901.4235	NA	PeJP	NA	NA
+PJ072821	GGLHFWW 	C47H55N11O8	901.4236	NA	PeJP	NA	NA
+PJ072822	SPEEERR 	C35H59N13O15	901.4254	NA	PeJP	NA	NA
+PJ072823	ALLEMYY 	C43H63N7O12S	901.4256	NA	PeJP	NA	NA
+PJ072824	PPDMMRR 	C36H63N13O10S2	901.4263	NA	PeJP	NA	NA
+PJ072825	STQHHHR 	C36H55N17O11	901.4267	NA	PeJP	NA	NA
+PJ072826	GGGGPQHHR 	C36H55N17O11	901.4268	NA	PeJP	NA	NA
+PJ072827	CKFRYW 	C44H59N11O8S	901.4269	NA	PeJP	NA	NA
+PJ072828	SPVEERW 	C40H59N11O13	901.4294	NA	PeJP	NA	NA
+PJ072829	PPCLMRW 	C41H63N11O8S2	901.4303	NA	PeJP	NA	NA
+PJ072830	GTKHHHW 	C41H55N15O9	901.4308	NA	PeJP	NA	NA
+PJ072831	PLQEEMR 	C37H63N11O13S	901.4328	NA	PeJP	NA	NA
+PJ072832	APTLEWW 	C45H59N9O11	901.4334	NA	PeJP	NA	NA
+PJ072833	GGPPLEFW 	C45H59N9O11	901.4335	NA	PeJP	NA	NA
+PJ072834	PKKMMMH 	C38H67N11O8S3	901.4337	NA	PeJP	NA	NA
+PJ072835	GPCQRRW 	C38H59N15O9S	901.4341	NA	PeJP	NA	NA
+PJ072836	AHFRWW 	C46H55N13O7	901.4348	NA	PeJP	NA	NA
+PJ072837	GQQEERR 	C34H59N15O14	901.4366	NA	PeJP	NA	NA
+PJ072838	GGGAAEERR 	C34H59N15O14	901.4367	NA	PeJP	NA	NA
+PJ072839	PVLQEMW 	C42H63N9O11S	901.4368	NA	PeJP	NA	NA
+PJ072840	ATMMHRR 	C35H63N15O9S2	901.4375	NA	PeJP	NA	NA
+PJ072841	STTTTTKY 	C38H63N9O16	901.4393	NA	PeJP	NA	NA
+7879	peptide from b-casein (ovine and caprine milk)	YQEPVLGP	901.44	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ072842	TTKKMMY 	C39H67N9O11S2	901.4402	NA	PeJP	NA	NA
+PJ072843	TTTTHRW 	C39H59N13O12	901.4406	NA	PeJP	NA	NA
+PJ072844	GVQQERW 	C39H59N13O12	901.4407	NA	PeJP	NA	NA
+PJ072845	PVVMFFY 	C47H63N7O9S	901.4408	NA	PeJP	NA	NA
+PJ072846	VVHHHHH 	C40H55N17O8	901.442	NA	PeJP	NA	NA
+PJ072847	TTLLEYY 	C43H63N7O14	901.4433	NA	PeJP	NA	NA
+PJ072848	PVDEMRR 	C36H63N13O12S	901.444	NA	PeJP	NA	NA
+PJ072849	GGGGGGGPKKM 	C36H63N13O12S	901.4441	NA	PeJP	NA	NA
+PJ072850	VVLMMFY 	C44H67N7O9S2	901.4442	NA	PeJP	NA	NA
+PJ072851	GPTQKWW 	C44H59N11O10	901.4447	NA	PeJP	NA	NA
+PJ072852	PPCHHRR 	C37H59N17O8S	901.4454	NA	PeJP	NA	NA
+PJ072853	GNDERRR 	C33H59N17O13	901.4479	NA	PeJP	NA	NA
+PJ072854	APLEMRW 	C41H63N11O10S	901.448	NA	PeJP	NA	NA
+PJ072855	PVVDMRW 	C41H63N11O10S	901.4481	NA	PeJP	NA	NA
+PJ072856	GPPLFWW 	C49H59N9O8	901.4487	NA	PeJP	NA	NA
+PJ072857	VLQEEER 	C37H63N11O15	901.4505	NA	PeJP	NA	NA
+PJ072858	LLNEEER 	C37H63N11O15	901.4506	NA	PeJP	NA	NA
+PJ072859	GPPTLMMR 	C38H67N11O10S2	901.4514	NA	PeJP	NA	NA
+PJ072860	QQERRW 	C38H59N15O11	901.4519	NA	PeJP	NA	NA
+PJ072861	GPLLMWW 	C46H63N9O8S	901.4521	NA	PeJP	NA	NA
+PJ072862	PTLKEEW 	C42H63N9O13	901.4546	NA	PeJP	NA	NA
+PJ072863	TTTMHRR 	C35H63N15O11S	901.4553	NA	PeJP	NA	NA
+PJ072864	PPLKMMW 	C43H67N9O8S2	901.4554	NA	PeJP	NA	NA
+PJ072865	VQQRWW 	C43H59N13O9	901.4559	NA	PeJP	NA	NA
+PJ072866	APVLDKEM 	C39H67N9O13S	901.4579	NA	PeJP	NA	NA
+PJ072867	GPVLKEEM 	C39H67N9O13S	901.458	NA	PeJP	NA	NA
+PJ072868	APLLYYY 	C47H63N7O11	901.4586	NA	PeJP	NA	NA
+PJ072869	GPQKMRW 	C40H63N13O9S	901.4593	NA	PeJP	NA	NA
+PJ072870	VKHFWW 	C48H59N11O7	901.4599	NA	PeJP	NA	NA
+PJ072871	ALEEERR 	C36H63N13O14	901.4618	NA	PeJP	NA	NA
+PJ072872	SLLLMYY 	C44H67N7O11S	901.4619	NA	PeJP	NA	NA
+PJ072873	SLKMMHR 	C37H67N13O9S2	901.4626	NA	PeJP	NA	NA
+PJ072874	VTKMMHR 	C37H67N13O9S2	901.4627	NA	PeJP	NA	NA
+PJ072875	NDRRRW 	C37H59N17O10	901.4631	NA	PeJP	NA	NA
+PJ072876	GLLEERW 	C41H63N11O12	901.4658	NA	PeJP	NA	NA
+PJ072877	SPCQRRR 	C34H63N17O10S	901.4665	NA	PeJP	NA	NA
+PJ072878	AQRRWW 	C42H59N15O8	901.4671	NA	PeJP	NA	NA
+PJ072879	GAARRWW 	C42H59N15O8	901.4672	NA	PeJP	NA	NA
+PJ072880	PLKEEMR 	C38H67N11O12S	901.4692	NA	PeJP	NA	NA
+PJ072881	GVLLEWW 	C46H63N9O10	901.4698	NA	PeJP	NA	NA
+PJ072882	GPCKRRW 	C39H63N15O8S	901.4705	NA	PeJP	NA	NA
+PJ072883	GQKEERR 	C35H63N15O13	901.473	NA	PeJP	NA	NA
+PJ072884	PVLKEMW 	C43H67N9O10S	901.4732	NA	PeJP	NA	NA
+PJ072885	CCKKKHR 	C36H67N15O8S2	901.4739	NA	PeJP	NA	NA
+PJ072886	AALLKEEE 	C39H67N9O15	901.4757	NA	PeJP	NA	NA
+PJ072887	SPPVLKMM 	C40H71N9O10S2	901.4766	NA	PeJP	NA	NA
+PJ072888	GVQKERW 	C40H63N13O11	901.477	NA	PeJP	NA	NA
+PJ072889	GGGLKERW 	C40H63N13O11	901.4771	NA	PeJP	NA	NA
+PJ072890	VVLMFFF 	C48H67N7O8S	901.4772	NA	PeJP	NA	NA
+PJ072891	PTLEMRR 	C37H67N13O11S	901.4804	NA	PeJP	NA	NA
+PJ072892	LLERWW 	C45H63N11O9	901.4811	NA	PeJP	NA	NA
+PJ072893	MHFRRR 	C38H63N17O7S	901.4818	NA	PeJP	NA	NA
+PJ072894	SNNQKRR 	C34H63N17O12	901.4842	NA	PeJP	NA	NA
+PJ072895	GTQERRR 	C34H63N17O12	901.4843	NA	PeJP	NA	NA
+PJ072896	SPLLMRW 	C42H67N11O9S	901.4844	NA	PeJP	NA	NA
+PJ072897	VLLWWW 	C50H63N9O7	901.4851	NA	PeJP	NA	NA
+PJ072898	VLKEEER 	C38H67N11O14	901.4869	NA	PeJP	NA	NA
+PJ072899	GGAALKKEE 	C38H67N11O14	901.487	NA	PeJP	NA	NA
+PJ072900	AAPLLMMR 	C39H71N11O9S2	901.4878	NA	PeJP	NA	NA
+PJ072901	QKERRW 	C39H63N15O10	901.4883	NA	PeJP	NA	NA
+PJ072902	TLLLQEW 	C43H67N9O12	901.4909	NA	PeJP	NA	NA
+PJ072903	VVLKEEW 	C43H67N9O12	901.491	NA	PeJP	NA	NA
+PJ072904	SPQKMRR 	C36H67N15O10S	901.4916	NA	PeJP	NA	NA
+PJ072905	GGPTKMRR 	C36H67N15O10S	901.4917	NA	PeJP	NA	NA
+PJ072906	VQKRWW 	C44H63N13O8	901.4923	NA	PeJP	NA	NA
+PJ072907	APTLLKEM 	C40H71N9O12S	901.4943	NA	PeJP	NA	NA
+PJ072908	ALLLFYY 	C48H67N7O10	901.495	NA	PeJP	NA	NA
+PJ072909	GSDRRRR 	C33H63N19O11	901.4955	NA	PeJP	NA	NA
+PJ072910	GPKKMRW 	C41H67N13O8S	901.4957	NA	PeJP	NA	NA
+PJ072911	SLLEERR 	C37H67N13O13	901.4982	NA	PeJP	NA	NA
+PJ072912	PVLMMRR 	C38H71N13O8S2	901.499	NA	PeJP	NA	NA
+PJ072913	TQRRRW 	C38H63N17O9	901.4995	NA	PeJP	NA	NA
+PJ072914	SVLLERW 	C42H67N11O11	901.5022	NA	PeJP	NA	NA
+PJ072915	GVQMRRR 	C35H67N17O9S	901.5029	NA	PeJP	NA	NA
+MJ097288	Antibiotic CP 56064; 12,13-Epoxide 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+MJ097289	Leptinidine; 5,6-Dihydro, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+MJ097290	Spiramycin S; 18-Aldehyde, 3-propanoyl 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+MJ097291	Spirosolan-3-ol, Glycoside(2) 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+MJ097292	Spirosolan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+MJ097293	Tylosin; 2C-O-De-Me 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+MJ097294	Tylosin; 3C-O-De-Me 	C45H75NO17	901.503499	NA	MeJP	NA	NA
+C00744	Macrocin	C45H75NO17	901.5035	NA	KEGG	NA	NA
+PJ072916	AKRRWW 	C43H63N15O7	901.5035	NA	PeJP	NA	NA
+PJ072917	LLLQEMR 	C39H71N11O11S	901.5056	NA	PeJP	NA	NA
+PJ072918	ATLLLWW 	C47H67N9O9	901.5062	NA	PeJP	NA	NA
+PJ072919	GKKEERR 	C36H67N15O12	901.5094	NA	PeJP	NA	NA
+PJ072920	VLLLQMW 	C44H71N9O9S	901.5096	NA	PeJP	NA	NA
+PJ072921	GTLLLKEE 	C40H71N9O14	901.5121	NA	PeJP	NA	NA
+PJ072922	GPLLLKMM 	C41H75N9O9S2	901.513	NA	PeJP	NA	NA
+PJ072923	GVKKERW 	C41H67N13O10	901.5134	NA	PeJP	NA	NA
+PJ072924	QMRRRR 	C34H67N19O8S	901.5141	NA	PeJP	NA	NA
+PJ072925	VVLEMRR 	C38H71N13O10S	901.5168	NA	PeJP	NA	NA
+PJ072926	AALKKWW 	C46H67N11O8	901.5175	NA	PeJP	NA	NA
+PJ072927	GTKERRR 	C35H67N17O11	901.5206	NA	PeJP	NA	NA
+PJ072928	GGGGSKKRR 	C35H67N17O11	901.5207	NA	PeJP	NA	NA
+PJ072929	ALLLMRW 	C43H71N11O8S	901.5208	NA	PeJP	NA	NA
+PJ072930	GTTLLLER 	C39H71N11O13	901.5233	NA	PeJP	NA	NA
+PJ072931	KKERRW 	C40H67N15O9	901.5247	NA	PeJP	NA	NA
+PJ072932	CRRRRR 	C33H67N21O7S	901.5254	NA	PeJP	NA	NA
+PJ072933	TLLLKEW 	C44H71N9O11	901.5273	NA	PeJP	NA	NA
+PJ072934	GGGPLLLLY 	C44H71N9O11	901.5274	NA	PeJP	NA	NA
+PJ072935	SPKKMRR 	C37H71N15O9S	901.528	NA	PeJP	NA	NA
+PJ072936	VKKRWW 	C45H67N13O7	901.5287	NA	PeJP	NA	NA
+PJ072937	GVLLLKEM 	C41H75N9O11S	901.5307	NA	PeJP	NA	NA
+PJ072938	GTTRRRR 	C34H67N19O10	901.5319	NA	PeJP	NA	NA
+PJ072939	TLQKKER 	C38H71N13O12	901.5345	NA	PeJP	NA	NA
+PJ072940	VDKKKER 	C38H71N13O12	901.5346	NA	PeJP	NA	NA
+PJ072941	TKRRRW 	C39H67N17O8	901.5359	NA	PeJP	NA	NA
+PJ072942	TTLLLRW 	C43H71N11O10	901.5386	NA	PeJP	NA	NA
+PJ072943	GVKMRRR 	C36H71N17O8S	901.5393	NA	PeJP	NA	NA
+MJ097295	Angolamycin; 20-Deoxo 	C46H79NO16	901.539885	NA	MeJP	NA	NA
+PJ072944	LLLKEMR 	C40H75N11O10S	901.542	NA	PeJP	NA	NA
+PJ072945	PVLLKFW 	C48H71N9O8	901.5426	NA	PeJP	NA	NA
+PJ072946	SVKKERR 	C37H71N15O11	901.5458	NA	PeJP	NA	NA
+PJ072947	VLLLKMW 	C45H75N9O8S	901.546	NA	PeJP	NA	NA
+PJ072948	SSLLLLKE 	C41H75N9O13	901.5485	NA	PeJP	NA	NA
+PJ072949	ATLKKRW 	C42H71N13O9	901.5498	NA	PeJP	NA	NA
+PJ072950	KMRRRR 	C35H71N19O7S	901.5505	NA	PeJP	NA	NA
+PJ072951	TLLLMRR 	C39H75N13O9S	901.5532	NA	PeJP	NA	NA
+PJ072952	SSLKRRR 	C36H71N17O10	901.557	NA	PeJP	NA	NA
+PJ072953	SSTLLLLR 	C40H75N11O12	901.5597	NA	PeJP	NA	NA
+PJ072954	VLLKHHR 	C41H71N15O8	901.561	NA	PeJP	NA	NA
+PJ072955	APKKFRR 	C41H71N15O8	901.5611	NA	PeJP	NA	NA
+PJ072956	GPVLLLKY 	C45H75N9O10	901.5637	NA	PeJP	NA	NA
+PJ072957	ALKKMRR 	C38H75N15O8S	901.5644	NA	PeJP	NA	NA
+PJ072958	ATLLLLKM 	C42H79N9O10S	901.5671	NA	PeJP	NA	NA
+PJ072959	TLKKKER 	C39H75N13O11	901.5709	NA	PeJP	NA	NA
+PJ072960	GGKKKKKE 	C39H75N13O11	901.571	NA	PeJP	NA	NA
+PJ072961	SLLKKKW 	C44H75N11O9	901.575	NA	PeJP	NA	NA
+PJ072962	AALLKKKM 	C41H79N11O9S	901.5783	NA	PeJP	NA	NA
+PJ072963	TTLKKRR 	C38H75N15O10	901.5822	NA	PeJP	NA	NA
+PJ072964	TTTLLLLK 	C42H79N9O12	901.5849	NA	PeJP	NA	NA
+PJ072965	GKKKKKW 	C43H75N13O8	901.5862	NA	PeJP	NA	NA
+PJ072966	VLKKKMR 	C40H79N13O8S	901.5896	NA	PeJP	NA	NA
+PJ072967	ATTLLKKK 	C41H79N11O11	901.5961	NA	PeJP	NA	NA
+PJ072968	GVLLLLKF 	C46H79N9O9	901.6001	NA	PeJP	NA	NA
+PJ072969	DKKKKKK 	C40H79N13O10	901.6073	NA	PeJP	NA	NA
+PJ072970	LLLLKFR 	C45H79N11O8	901.6113	NA	PeJP	NA	NA
+PJ072971	SKKKKKR 	C39H79N15O9	901.6186	NA	PeJP	NA	NA
+MJ097296	Xenopsin 1 	C51H79N15	901.664287	NA	MeJP	NA	NA
+HMDB08289	PC(20:0/24:0)	C52H104NO8P	901.749939	NA	HMDB2010	NA	NA
+HMDB08545	PC(22:0/22:0)	C52H104NO8P	901.749939	NA	HMDB2010	NA	NA
+HMDB08767	PC(24:0/20:0)	C52H104NO8P	901.749939	NA	HMDB2010	NA	NA
+3237	bombolitin II from venom of bumble bee (Megabombus	SKITDILAKLGKVLAHV~	902.05645	MH2+	Inhouse_peptide	NA	peptide
+MJ097297	Heptafuhalol A; 4'''-Deoxy 	C42H30O23	902.117787	NA	MeJP	NA	NA
+MJ097298	Pentafuhalol A; 1-O-(2,4,6-Trihydroxyphenyl), 4''''-O-(3,4,5-trihydroxyphenyl) 	C42H30O23	902.117787	NA	MeJP	NA	NA
+PJ072972	CCCCCCCY 	C30H46N8O10S7	902.1382	NA	PeJP	NA	NA
+PJ072973	CCCCCCEH 	C29H46N10O11S6	902.1672	NA	PeJP	NA	NA
+PJ072974	CCCDDDDD 	C29H42N8O19S3	902.1729	NA	PeJP	NA	NA
+PJ072975	CCCCNNDE 	C29H46N10O15S4	902.2027	NA	PeJP	NA	NA
+PJ072976	GGGGCCCCDE 	C29H46N10O15S4	902.2028	NA	PeJP	NA	NA
+PJ072977	TCCCCCMH 	C30H50N10O10S6	902.2036	NA	PeJP	NA	NA
+PJ072978	SCCDDDDM 	C30H46N8O18S3	902.2093	NA	PeJP	NA	NA
+PJ072979	PCCCCDEM 	C31H50N8O13S5	902.2101	NA	PeJP	NA	NA
+PJ072980	GCCCCNDW 	C33H46N10O12S4	902.218	NA	PeJP	NA	NA
+PJ072981	GSSCCCNDD 	C29H46N10O17S3	902.2205	NA	PeJP	NA	NA
+PJ072982	GSPCCCCCQ 	C30H50N10O12S5	902.2214	NA	PeJP	NA	NA
+MetaCyc04280	coenzyme &alpha;-F420-3 []	C34H43N6O21P1	902.221889	NA	metacyc	NA	NA
+C08542	Celosianin II	C40H42N2O22	902.2229	NA	KEGG	NA	NA
+PJ072983	GCCDDEMM 	C31H50N8O15S4	902.2279	NA	PeJP	NA	NA
+PJ072984	GCCCCMHF 	C34H50N10O9S5	902.2366	NA	PeJP	NA	NA
+PJ072985	SCCCNNEM 	C30H50N10O14S4	902.2391	NA	PeJP	NA	NA
+PJ072986	GCCDDDEF 	C34H46N8O17S2	902.2423	NA	PeJP	NA	NA
+PJ072987	CCDDMMW 	C35H50N8O12S4	902.2431	NA	PeJP	NA	NA
+PJ072988	SSCDDDMM 	C31H50N8O17S3	902.2456	NA	PeJP	NA	NA
+PJ072989	SPCCCEMM 	C32H54N8O12S5	902.2465	NA	PeJP	NA	NA
+PJ072990	GCCCDEHH 	C32H46N12O13S3	902.247	NA	PeJP	NA	NA
+FL3FAADS0046	Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside 4'-O-glucoside	C42H46O22	902.24807	372113-51-4	knapsack	NA	NA
+FL5FAAGA0043	Variabiloside C	C42H46O22	902.24807	113270-94-3	knapsack	NA	NA
+FL5FAAGA0044	Variabiloside D	C42H46O22	902.24807	113349-37-4	knapsack	NA	NA
+FL5FAAGA0046	Kaempferol 3-caffeylrobinobioside-7-rhamnoside	C42H46O22	902.24807	107742-06-3	knapsack	NA	NA
+FL5FAAGL0100	Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside)	C42H46O22	902.24807	173268-23-0	knapsack	NA	NA
+FL5FAAGL0108	Kaempferol 7-O-(6-trans-p-coumaroyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside	C42H46O22	902.24807	352644-39-4	knapsack	NA	NA
+FL5FAAGS0062	Kaempferol 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside	C42H46O22	902.24807	142997-34-0	knapsack	NA	NA
+FL5FAAGS0130	Kaempferol 3-(4'''-p-coumaroylglucosyl)-(1->2)-rhamnoside-7-glucoside;3-[[6-Deoxy-2-O-[4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C42H46O22	902.24807	368264-90-8	knapsack	NA	NA
+FL5FAAGS0131	Kaempferol 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside-7-glucoside;3-[[6-Deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C42H46O22	902.24807	368264-85-1	knapsack	NA	NA
+FL5FAAGS0132	Kaempferol 3-glucosyl-(1->2)-rhamnoside-7-(6''-(E)-p-coumaroylglucoside);3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C42H46O22	902.24807	352283-41-1	knapsack	NA	NA
+FL5FAAGS0133	Kaempferol 3-(6'''-(E)-p-coumaroylglucosyl)-(1->2)-glucoside-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C42H46O22	902.24807	626255-30-9	knapsack	NA	NA
+FL5FACGA0044	Quercetin 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside	C42H46O22	902.24807	111545-15-4	knapsack	NA	NA
+MJ097299	3,3',4',5,7-Pentahydroxyflavan(6'?8)-3,3',4',5,7-pentahydroxyflavan, 3,3'-Di-O-?-D-glucopyranoside 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097300	3,4',5,7-Tetrahydroxyflavone; 3-O-(3,4-Dihydroxycinnamoylrobinobioside), 7-O-?-L-rhamnopyranoside 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097301	Afzelin; 2''-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097302	Populnin; 3-O-(4-Hydroxycinnamoylrutinoside) 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097303	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside], 2''-O-(4-hydroxycinnamoyl) 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097304	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl(?4)]-?-D-galactopyranoside] 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097305	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl(?4)]-?-D-galactopyranoside] 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097306	Vincetoxicoside B; 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097307	?-Rhamnoisorobin; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H46O22	902.248073	NA	MeJP	NA	NA
+MJ097308	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside 	C42H47O22(+)	902.248073	NA	MeJP	NA	NA
+PJ072991	SCCCCNDR 	C29H50N12O13S4	902.2504	NA	PeJP	NA	NA
+PJ072992	GDDDDDDH 	C32H42N10O21	902.2527	NA	PeJP	NA	NA
+PJ072993	GCCNNDDY 	C33H46N10O16S2	902.2535	NA	PeJP	NA	NA
+PJ072994	GSCCCNMW 	C34H50N10O11S4	902.2544	NA	PeJP	NA	NA
+PJ072995	GSSSCCNDM 	C30H50N10O16S3	902.2569	NA	PeJP	NA	NA
+PJ072996	CCDDDFW 	C38H46N8O14S2	902.2575	NA	PeJP	NA	NA
+PJ072997	GCCNNMMM 	C31H54N10O11S5	902.2577	NA	PeJP	NA	NA
+PJ072998	GGGCCNMMM 	C31H54N10O11S5	902.2578	NA	PeJP	NA	NA
+PJ072999	GSCDDDEY 	C34H46N8O19S	902.26	NA	PeJP	NA	NA
+PJ073000	GPCCDDMY 	C35H50N8O14S3	902.2609	NA	PeJP	NA	NA
+PJ073001	PPCCCCMF 	C36H54N8O9S5	902.2618	NA	PeJP	NA	NA
+PJ073002	CCCDHHW 	C36H46N12O10S3	902.2622	NA	PeJP	NA	NA
+PJ073003	GSCDEMMM 	C32H54N8O14S4	902.2643	NA	PeJP	NA	NA
+PJ073004	SSCCDDHH 	C32H46N12O15S2	902.2647	NA	PeJP	NA	NA
+PJ073005	GPCCMMMM 	C33H58N8O9S6	902.2651	NA	PeJP	NA	NA
+PJ073006	PTCCCCHH 	C33H50N12O10S4	902.2656	NA	PeJP	NA	NA
+PJ073007	GCCCCQMR 	C30H54N12O10S5	902.269	NA	PeJP	NA	NA
+FL3FAACS0075	Panzhihuacycaside;Vitexin 6''-O-Rhamnosyl-4'''-O-glucosyl-2'''-O-galactoside	C39H50O24	902.2692	441067-48-7	knapsack	NA	NA
+FL3FAAGS0032	Apigenin 7-neohesperidoside-4'-sophoroside	C39H50O24	902.2692	70426-63-0	knapsack	NA	NA
+FL5FAAGA0026	Kaempferol 3-(2Gal-glucosylrobinobioside)-7-rhamnoside;Desacyl gladiatoside A;Kaempferol 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]-7-rhamnoside	C39H50O24	902.2692	315716-56-4	knapsack	NA	NA
+FL5FAAGA0027	Kaempferol 3-rhamnosyl-(1->2)[rhamnosyl-(1->6)-galactoside]-7-glucoside;Alangiflavoside;Mauritianin 7-O-beta-D-glucopyranoside	C39H50O24	902.2692	172923-83-0	knapsack	NA	NA
+FL5FAAGL0058	Kaempferol 3-galactosyl-(1->6)-glucoside-7-rhamnosyl-(1->3)-rhamnoside	C39H50O24	902.2692	81944-31-2	knapsack	NA	NA
+FL5FAAGL0106	Kaempferol 3-O-alpha-L-rhamnopyranosyl(1->6)-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside;Kaempferol 3-(2G-glucosylrutinoside)-7-rhamnoside	C39H50O24	902.2692	596814-72-1	knapsack	NA	NA
+FL5FAAGS0098	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside];3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[O-beta-D-glucopyranosyl-(1->3)-6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C39H50O24	902.2692	214407-43-9	knapsack	NA	NA
+MJ097309	1,8-Dihydroxy-3-methylanthraquinone; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097310	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097311	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-[?-L-rhamnopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097312	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-[?-L-rhamnopyranosyl-(1??)-galactoside] 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097313	4',5,7-Trihydroxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4'-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097314	Trifolin; 2'',6''-Di-O-?-L-rhamnopyranosyl, 7-O-?-D-glucopyranoside 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097315	Trifolin; 2''-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl], 6''-O-rhamnopyranosyl 	C39H50O24	902.269202	NA	MeJP	NA	NA
+MJ097316	?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside] 	C39H50O24	902.269202	NA	MeJP	NA	NA
+PJ073008	SPCDDDDH 	C33H46N10O18S	902.2713	NA	PeJP	NA	NA
+PJ073009	SSSCCCQW 	C34H50N10O13S3	902.2721	NA	PeJP	NA	NA
+PJ073010	GGGGGCCDMF 	C34H50N10O13S3	902.2722	NA	PeJP	NA	NA
+PJ073011	SSSSSCCNE 	C30H50N10O18S2	902.2746	NA	PeJP	NA	NA
+PJ073012	SCDDDYW 	C38H46N8O16S	902.2753	NA	PeJP	NA	NA
+PJ073013	SSCCNQMM 	C31H54N10O13S4	902.2755	NA	PeJP	NA	NA
+PJ073014	PCCCEYW 	C39H50N8O11S3	902.2762	NA	PeJP	NA	NA
+PJ073015	SSSDDDDY 	C34H46N8O21	902.2778	NA	PeJP	NA	NA
+PJ073016	SSPCCDEY 	C35H50N8O16S2	902.2786	NA	PeJP	NA	NA
+PJ073017	NDDDMMY 	C35H50N8O16S2	902.2787	NA	PeJP	NA	NA
+PJ073018	SCDMMMW 	C36H54N8O11S4	902.2795	NA	PeJP	NA	NA
+PJ073019	GCCCCCRR 	C29H54N14O9S5	902.2802	NA	PeJP	NA	NA
+PJ073020	SSSDDMMM 	C32H54N8O16S3	902.282	NA	PeJP	NA	NA
+PJ073021	GCNNDDEH 	C32H46N12O17S	902.2825	NA	PeJP	NA	NA
+PJ073022	NDMMMMM 	C33H58N8O11S5	902.2829	NA	PeJP	NA	NA
+PJ073023	GSCCEMHH 	C33H50N12O12S3	902.2834	NA	PeJP	NA	NA
+MJ097317	Catalpol; 6-O-[4-O-Acetyl-2,3-bis(4-hydroxy-3-methoxy-E-cinnamoyl)-?-L-rhamnopyranoside] 	C43H50O21	902.284458	NA	MeJP	NA	NA
+PJ073024	SSCCCNMR 	C30H54N12O12S4	902.2867	NA	PeJP	NA	NA
+PJ073025	CCCNQFW 	C38H50N10O10S3	902.2874	NA	PeJP	NA	NA
+PJ073026	GSDDDEEH 	C33H46N10O20	902.289	NA	PeJP	NA	NA
+PJ073027	GSSSSSCCW 	C34H50N10O15S2	902.2899	NA	PeJP	NA	NA
+PJ073028	GTCCCCKW 	C35H54N10O10S4	902.2908	NA	PeJP	NA	NA
+PJ073029	GSSSSSSSCD 	C30H50N10O20S	902.2924	NA	PeJP	NA	NA
+PJ073030	NDDDDFY 	C38H46N8O18	902.293	NA	PeJP	NA	NA
+PJ073031	GGDDDDFY 	C38H46N8O18	902.2931	NA	PeJP	NA	NA
+PJ073032	GSSSSCNMM 	C31H54N10O15S3	902.2933	NA	PeJP	NA	NA
+PJ073033	GCDEMYW 	C39H50N8O13S2	902.2939	NA	PeJP	NA	NA
+PJ073034	CCEMMMR 	C32H58N10O10S5	902.2941	NA	PeJP	NA	NA
+PJ073035	GSSDDEMY 	C35H50N8O18S	902.2964	NA	PeJP	NA	NA
+PJ073036	GSPCDMMY 	C36H54N8O13S3	902.2973	NA	PeJP	NA	NA
+PJ073037	CNNDDHW 	C36H46N12O14S	902.2978	NA	PeJP	NA	NA
+PJ073038	VCCMMMW 	C37H58N8O8S5	902.2981	NA	PeJP	NA	NA
+PJ073039	ACMMMMW 	C37H58N8O8S5	902.2982	NA	PeJP	NA	NA
+PJ073040	SCCMHHW 	C37H50N12O9S3	902.2986	NA	PeJP	NA	NA
+PJ073041	SSNNDDDH 	C32H46N12O19	902.3003	NA	PeJP	NA	NA
+PJ073042	SSVCDMMM 	C33H58N8O13S4	902.3006	NA	PeJP	NA	NA
+PJ073043	GSSEMMMM 	C33H58N8O13S4	902.3007	NA	PeJP	NA	NA
+PJ073044	SSSCDMHH 	C33H50N12O14S2	902.3011	NA	PeJP	NA	NA
+PJ073045	CNMMMHH 	C34H54N12O9S4	902.302	NA	PeJP	NA	NA
+PJ073046	SDDDEHW 	C37H46N10O17	902.3043	NA	PeJP	NA	NA
+PJ073047	GSSSTCCCR 	C30H54N12O14S3	902.3045	NA	PeJP	NA	NA
+PJ073048	SCCNQYW 	C38H50N10O12S2	902.3051	NA	PeJP	NA	NA
+PJ073049	GGGGTCCYW 	C38H50N10O12S2	902.3052	NA	PeJP	NA	NA
+PJ073050	GCCCCKMR 	C31H58N12O9S5	902.3054	NA	PeJP	NA	NA
+PJ073051	SSSCNNEY 	C34H50N10O17S	902.3076	NA	PeJP	NA	NA
+PJ073052	GGGGSSSCEY 	C34H50N10O17S	902.3077	NA	PeJP	NA	NA
+MJ097318	Decatromicin A; 4'',5''-Dichloro, N1''-Me 	C46H57Cl3N2O10	902.307879	NA	MeJP	NA	NA
+PJ073053	SSSCCCKW 	C35H54N10O12S3	902.3085	NA	PeJP	NA	NA
+PJ073054	CDMYWW 	C43H50N8O10S2	902.3092	NA	PeJP	NA	NA
+PJ073055	SSSSSSCQM 	C31H54N10O17S2	902.311	NA	PeJP	NA	NA
+PJ073056	SSDDMYW 	C39H50N8O15S	902.3117	NA	PeJP	NA	NA
+PJ073057	SSCCNKMM 	C32H58N10O12S4	902.3119	NA	PeJP	NA	NA
+PJ073058	GCNNNNMH 	C32H50N14O13S2	902.3124	NA	PeJP	NA	NA
+PJ073059	PTCCMYW 	C40H54N8O10S3	902.3125	NA	PeJP	NA	NA
+PJ073060	SSSSDEEY 	C35H50N8O20	902.3142	NA	PeJP	NA	NA
+PJ073061	SNEEMMY 	C36H54N8O15S2	902.315	NA	PeJP	NA	NA
+PJ073062	PPPCDDEM 	C36H54N8O15S2	902.3151	NA	PeJP	NA	NA
+PJ073063	CEYYYY 	C44H50N6O13S	902.3157	NA	PeJP	NA	NA
+PJ073064	SSMMMMW 	C37H58N8O10S4	902.3159	NA	PeJP	NA	NA
+PJ073065	GSPCCNHW 	C37H50N12O11S2	902.3164	NA	PeJP	NA	NA
+PJ073066	SSSTEMMM 	C33H58N8O15S3	902.3184	NA	PeJP	NA	NA
+PJ073067	DDDDMHR 	C33H50N12O16S	902.3189	NA	PeJP	NA	NA
+PJ073068	TQMMMMM 	C34H62N8O10S5	902.3193	NA	PeJP	NA	NA
+PJ073069	CCNNMRY 	C34H54N12O11S3	902.3197	NA	PeJP	NA	NA
+PJ073070	GGCCNMRY 	C34H54N12O11S3	902.3198	NA	PeJP	NA	NA
+PJ073071	SSSSSSCCR 	C30H54N12O16S2	902.3222	NA	PeJP	NA	NA
+PJ073072	GSSSCNYW 	C38H50N10O14S	902.3229	NA	PeJP	NA	NA
+PJ073073	STCCCCKR 	C31H58N12O11S4	902.3231	NA	PeJP	NA	NA
+PJ073074	CCCNKFW 	C39H54N10O9S3	902.3238	NA	PeJP	NA	NA
+PJ073075	GSSSSSNDY 	C34H50N10O19	902.3254	NA	PeJP	NA	NA
+PJ073076	SCDEMRY 	C35H54N10O14S2	902.3263	NA	PeJP	NA	NA
+PJ073077	NDDEHHH 	C35H46N14O15	902.3268	NA	PeJP	NA	NA
+PJ073078	GPCDYYW 	C43H50N8O12S	902.3269	NA	PeJP	NA	NA
+PJ073079	PCCMMRY 	C36H58N10O9S4	902.3271	NA	PeJP	NA	NA
+PJ073080	GPPCMMMH 	C36H58N10O9S4	902.3272	NA	PeJP	NA	NA
+PJ073081	CMMFWW 	C44H54N8O7S3	902.3278	NA	PeJP	NA	NA
+PJ073082	GSSSSSSSSM 	C31H54N10O19S	902.3288	NA	PeJP	NA	NA
+PJ073083	GNEEEYY 	C39H50N8O17	902.3294	NA	PeJP	NA	NA
+PJ073084	GSSSTCCKM 	C32H58N10O14S3	902.3296	NA	PeJP	NA	NA
+PJ073085	GSCNDDHR 	C32H50N14O15S	902.3301	NA	PeJP	NA	NA
+PJ073086	GGGGGGGGGGPCN 	C32H50N14O15S	902.3302	NA	PeJP	NA	NA
+PJ073087	GSEMMYW 	C40H54N8O12S2	902.3303	NA	PeJP	NA	NA
+PJ073088	TCMMMMR 	C33H62N10O9S5	902.3305	NA	PeJP	NA	NA
+PJ073089	GPCCCQHR 	C33H54N14O10S3	902.331	NA	PeJP	NA	NA
+PJ073090	ACCHHFW 	C41H50N12O8S2	902.3316	NA	PeJP	NA	NA
+PJ073091	GSSTEEMY 	C36H54N8O17S	902.3328	NA	PeJP	NA	NA
+PJ073092	AQEMMMY 	C37H58N8O12S3	902.3337	NA	PeJP	NA	NA
+PJ073093	SNNDMHW 	C37H50N12O13S	902.3341	NA	PeJP	NA	NA
+PJ073094	GGGGSDMHW 	C37H50N12O13S	902.3342	NA	PeJP	NA	NA
+PJ073095	SSSNNEEH 	C33H50N12O18	902.3366	NA	PeJP	NA	NA
+PJ073096	GPNDDDDR 	C33H50N12O18	902.3367	NA	PeJP	NA	NA
+PJ073097	GTTTMMMM 	C34H62N8O12S4	902.337	NA	PeJP	NA	NA
+PJ073098	GSSCCQRY 	C34H54N12O13S2	902.3375	NA	PeJP	NA	NA
+PJ073099	DEMHWW 	C42H50N10O11S	902.3382	NA	PeJP	NA	NA
+PJ073100	SNNNEYY 	C38H50N10O16	902.3406	NA	PeJP	NA	NA
+PJ073101	SSEEEHW 	C38H50N10O16	902.3407	NA	PeJP	NA	NA
+PJ073102	SCCNKYW 	C39H54N10O11S2	902.3415	NA	PeJP	NA	NA
+PJ073103	GGGGGACMFF 	C39H54N10O11S2	902.3416	NA	PeJP	NA	NA
+PJ073104	GDDHHHW 	C39H46N14O12	902.342	NA	PeJP	NA	NA
+PJ073105	CDFFWW 	C47H50N8O9S	902.3422	NA	PeJP	NA	NA
+PJ073106	SSSSNQMY 	C35H54N10O16S	902.344	NA	PeJP	NA	NA
+PJ073107	GGGGSPPDEM 	C35H54N10O16S	902.3441	NA	PeJP	NA	NA
+PJ073108	NEEYYW 	C43H50N8O14	902.3447	NA	PeJP	NA	NA
+PJ073109	GDMMMRY 	C36H58N10O11S3	902.3449	NA	PeJP	NA	NA
+PJ073110	GSPCEHHH 	C36H50N14O12S	902.3454	NA	PeJP	NA	NA
+PJ073111	SMMYWW 	C44H54N8O9S2	902.3455	NA	PeJP	NA	NA
+PJ073112	GPCMFYW 	C44H54N8O9S2	902.3456	NA	PeJP	NA	NA
+PJ073113	SSSSSSSSST 	C31H54N10O21	902.3465	NA	PeJP	NA	NA
+PJ073114	SSSSSSCKM 	C32H58N10O16S2	902.3474	NA	PeJP	NA	NA
+PJ073115	GSSSSNNNH 	C32H50N14O17	902.3479	NA	PeJP	NA	NA
+PJ073116	SSTEMYW 	C40H54N8O14S	902.348	NA	PeJP	NA	NA
+PJ073117	PPDEEMW 	C40H54N8O14S	902.3481	NA	PeJP	NA	NA
+PJ073118	STCCCKKM 	C33H62N10O11S4	902.3483	NA	PeJP	NA	NA
+PJ073119	CNNEMHR 	C33H54N14O12S2	902.3487	NA	PeJP	NA	NA
+PJ073120	GGCNEMHR 	C33H54N14O12S2	902.3488	NA	PeJP	NA	NA
+PJ073121	AAMMMYW 	C41H58N8O9S3	902.3489	NA	PeJP	NA	NA
+PJ073122	GSCQHWW 	C41H50N12O10S	902.3494	NA	PeJP	NA	NA
+PJ073123	SSSTTEEY 	C36H54N8O19	902.3505	NA	PeJP	NA	NA
+PJ073124	AAPEEEEE 	C36H54N8O19	902.3506	NA	PeJP	NA	NA
+PJ073125	SDKEMMY 	C37H58N8O14S2	902.3514	NA	PeJP	NA	NA
+PJ073126	GSSSNEHW 	C37H50N12O15	902.3519	NA	PeJP	NA	NA
+PJ073127	TMYYYY 	C45H54N6O12S	902.3521	NA	PeJP	NA	NA
+PJ073128	PCKMMMY 	C38H62N8O9S4	902.3523	NA	PeJP	NA	NA
+PJ073129	GNQMMHW 	C38H54N12O10S2	902.3528	NA	PeJP	NA	NA
+PJ073130	STTTTMMM 	C34H62N8O14S3	902.3548	NA	PeJP	NA	NA
+PJ073131	SSSSCNRY 	C34H54N12O15S	902.3553	NA	PeJP	NA	NA
+PJ073132	TKMMMMM 	C35H66N8O9S5	902.3557	NA	PeJP	NA	NA
+PJ073133	GPNDEWW 	C42H50N10O13	902.3559	NA	PeJP	NA	NA
+PJ073134	CCCQKRY 	C35H58N12O10S3	902.3561	NA	PeJP	NA	NA
+PJ073135	GAPPPCCCR 	C35H58N12O10S3	902.3562	NA	PeJP	NA	NA
+PJ073136	NNNMHHH 	C35H50N16O11S	902.3566	NA	PeJP	NA	NA
+MJ097319	Chukrasins; Chukrasin A 	C45H58O19	902.357229	NA	MeJP	NA	NA
+MJ097320	Amanitin; ?-Amanitin 	C39H54N10O13S	902.359252	NA	MeJP	NA	NA
+PJ073137	ATEEMHW 	C39H54N10O13S	902.3593	NA	PeJP	NA	NA
+PJ073138	GEYYWW 	C47H50N8O11	902.3599	NA	PeJP	NA	NA
+PJ073139	CCNDHRR 	C32H54N16O11S2	902.36	NA	PeJP	NA	NA
+PJ073140	APMMMHW 	C40H58N10O8S3	902.3602	NA	PeJP	NA	NA
+PJ073141	SPCHHHW 	C40H50N14O9S	902.3606	NA	PeJP	NA	NA
+PJ073142	GSSSSSTQY 	C35H54N10O18	902.3618	NA	PeJP	NA	NA
+PJ073143	SSEMMRY 	C36H58N10O13S2	902.3627	NA	PeJP	NA	NA
+PJ073144	NNNNNQW 	C36H50N14O14	902.3631	NA	PeJP	NA	NA
+PJ073145	GGGGGGGGNQW 	C36H50N14O14	902.3632	NA	PeJP	NA	NA
+PJ073146	GSPMYYW 	C44H54N8O11S	902.3633	NA	PeJP	NA	NA
+PJ073147	GMMMMFR 	C37H62N10O8S4	902.3635	NA	PeJP	NA	NA
+PJ073148	GCNMHRW 	C37H54N14O9S2	902.364	NA	PeJP	NA	NA
+PJ073149	PVDEEEW 	C40H54N8O16	902.3658	NA	PeJP	NA	NA
+PJ073150	GSSNDMHR 	C33H54N14O14S	902.3665	NA	PeJP	NA	NA
+PJ073151	ATTMMYW 	C41H58N8O11S2	902.3667	NA	PeJP	NA	NA
+PJ073152	SSSNHWW 	C41H50N12O12	902.3671	NA	PeJP	NA	NA
+PJ073153	GGSSSHWW 	C41H50N12O12	902.3672	NA	PeJP	NA	NA
+PJ073154	GPCCCKHR 	C34H58N14O9S3	902.3674	NA	PeJP	NA	NA
+PJ073155	SSSSLEMY 	C37H58N8O16S	902.3692	NA	PeJP	NA	NA
+PJ073156	AKEMMMY 	C38H62N8O11S3	902.37	NA	PeJP	NA	NA
+PJ073157	GGTLMMMY 	C38H62N8O11S3	902.3701	NA	PeJP	NA	NA
+PJ073158	SSQQMHW 	C38H54N12O12S	902.3705	NA	PeJP	NA	NA
+PJ073159	GGGGGGGAPMW 	C38H54N12O12S	902.3706	NA	PeJP	NA	NA
+PJ073160	PNDWWW 	C46H50N10O10	902.3712	NA	PeJP	NA	NA
+PJ073161	GSPNDEER 	C34H54N12O17	902.373	NA	PeJP	NA	NA
+PJ073162	GGGGGGGVQEE 	C34H54N12O17	902.3731	NA	PeJP	NA	NA
+PJ073163	GSSCCKRY 	C35H58N12O12S2	902.3739	NA	PeJP	NA	NA
+PJ073164	SDDHHHR 	C35H50N16O13	902.3744	NA	PeJP	NA	NA
+PJ073165	SPPCQWW 	C43H54N10O10S	902.3745	NA	PeJP	NA	NA
+PJ073166	GGPPTCWW 	C43H54N10O10S	902.3746	NA	PeJP	NA	NA
+PJ073167	YYWWW 	C51H50N8O8	902.3752	NA	PeJP	NA	NA
+PJ073168	TTTEEHW 	C39H54N10O15	902.377	NA	PeJP	NA	NA
+PJ073169	GGPTQEEW 	C39H54N10O15	902.3771	NA	PeJP	NA	NA
+PJ073170	GLEMMHW 	C40H58N10O10S2	902.3779	NA	PeJP	NA	NA
+PJ073171	GTEHHHW 	C40H50N14O11	902.3784	NA	PeJP	NA	NA
+PJ073172	AMFYWW 	C48H54N8O8S	902.3786	NA	PeJP	NA	NA
+PJ073173	SSSSNKMY 	C36H58N10O15S	902.3804	NA	PeJP	NA	NA
+PJ073174	DKEYYW 	C44H54N8O13	902.3811	NA	PeJP	NA	NA
+PJ073175	ATMMMRY 	C37H62N10O10S3	902.3813	NA	PeJP	NA	NA
+PJ073176	SSCQHRW 	C37H54N14O11S	902.3817	NA	PeJP	NA	NA
+PJ073177	GGSTCHRW 	C37H54N14O11S	902.3818	NA	PeJP	NA	NA
+PJ073178	AAMMFFW 	C45H58N8O8S2	902.3819	NA	PeJP	NA	NA
+PJ073179	NNHFWW 	C45H50N12O9	902.3824	NA	PeJP	NA	NA
+PJ073180	NNNQEER 	C33H54N14O16	902.3842	NA	PeJP	NA	NA
+PJ073181	SSSSNEHR 	C33H54N14O16	902.3843	NA	PeJP	NA	NA
+PJ073182	TTTTMYW 	C41H58N8O13S	902.3844	NA	PeJP	NA	NA
+PJ073183	GPPPEEMF 	C41H58N8O13S	902.3845	NA	PeJP	NA	NA
+PJ073184	TFFYYY 	C49H54N6O11	902.3851	NA	PeJP	NA	NA
+PJ073185	GGGGGCCKKH 	C34H58N14O11S2	902.3852	NA	PeJP	NA	NA
+PJ073186	PCKMMFF 	C42H62N8O8S3	902.3853	NA	PeJP	NA	NA
+PJ073187	GSCKHWW 	C42H54N12O9S	902.3858	NA	PeJP	NA	NA
+PJ073188	STTTTTEY 	C37H58N8O18	902.3869	NA	PeJP	NA	NA
+PJ073189	GPTLEEEE 	C37H58N8O18	902.387	NA	PeJP	NA	NA
+PJ073190	TTKEMMY 	C38H62N8O13S2	902.3878	NA	PeJP	NA	NA
+PJ073191	SPNDERW 	C38H54N12O14	902.3883	NA	PeJP	NA	NA
+PJ073192	CLKMMMF 	C39H66N8O8S4	902.3887	NA	PeJP	NA	NA
+PJ073193	ACQKMHW 	C39H58N12O9S2	902.3891	NA	PeJP	NA	NA
+PJ073194	PPCNMRW 	C39H58N12O9S2	902.3892	NA	PeJP	NA	NA
+PJ073195	PMHFWW 	C47H54N10O7S	902.3898	NA	PeJP	NA	NA
+PJ073196	SSPPCQER 	C35H58N12O14S	902.3916	NA	PeJP	NA	NA
+PJ073197	TTEEMHR 	C35H58N12O14S	902.3917	NA	PeJP	NA	NA
+PJ073198	GPTQEWW 	C43H54N10O12	902.3923	NA	PeJP	NA	NA
+PJ073199	CCCKKRY 	C36H62N12O9S3	902.3925	NA	PeJP	NA	NA
+PJ073200	GEMHHHR 	C36H54N16O10S	902.393	NA	PeJP	NA	NA
+PJ073201	LMMHWW 	C44H58N10O7S2	902.3932	NA	PeJP	NA	NA
+PJ073202	THHHWW 	C44H50N14O8	902.3936	NA	PeJP	NA	NA
+MJ097321	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?3)-?-D-glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C46H62O18	902.393615	NA	MeJP	NA	NA
+PJ073203	NNNDDRR 	C32H54N16O15	902.3955	NA	PeJP	NA	NA
+PJ073204	STLEMHW 	C40H58N10O12S	902.3957	NA	PeJP	NA	NA
+PJ073205	SVYYWW 	C48H54N8O10	902.3963	NA	PeJP	NA	NA
+PJ073206	SCNMHRR 	C33H58N16O10S2	902.3964	NA	PeJP	NA	NA
+PJ073207	GVMHHHW 	C41H54N14O8S	902.397	NA	PeJP	NA	NA
+PJ073208	GSSSSSTKY 	C36H58N10O17	902.3982	NA	PeJP	NA	NA
+PJ073209	TTTMMRY 	C37H62N10O12S2	902.399	NA	PeJP	NA	NA
+PJ073210	VKEEMMH 	C37H62N10O12S2	902.3991	NA	PeJP	NA	NA
+PJ073211	GSSSSHRW 	C37H54N14O13	902.3995	NA	PeJP	NA	NA
+PJ073212	GGGGGGGGGGKW 	C37H54N14O13	902.3996	NA	PeJP	NA	NA
+PJ073213	LQMYYW 	C45H58N8O10S	902.3997	NA	PeJP	NA	NA
+PJ073214	ACCKHRW 	C38H58N14O8S2	902.4004	NA	PeJP	NA	NA
+PJ073215	AQHHHHH 	C38H50N18O9	902.4009	NA	PeJP	NA	NA
+PJ073216	PTLEEEW 	C41H58N8O15	902.4022	NA	PeJP	NA	NA
+PJ073217	PNDDMRR 	C34H58N14O13S	902.4029	NA	PeJP	NA	NA
+PJ073218	PPLEMMW 	C42H62N8O10S2	902.4031	NA	PeJP	NA	NA
+PJ073219	GSPDRWW 	C42H54N12O11	902.4035	NA	PeJP	NA	NA
+PJ073220	GGGGGVQWW 	C42H54N12O11	902.4036	NA	PeJP	NA	NA
+PJ073221	SSTTTLMY 	C38H62N8O15S	902.4056	NA	PeJP	NA	NA
+PJ073222	SLKMMMY 	C39H66N8O10S3	902.4064	NA	PeJP	NA	NA
+PJ073223	GPQEMRW 	C39H58N12O11S	902.4069	NA	PeJP	NA	NA
+PJ073224	PTQWWW 	C47H54N10O9	902.4076	NA	PeJP	NA	NA
+PJ073225	MHHHRW 	C40H54N16O7S	902.4083	NA	PeJP	NA	NA
+PJ073226	VNQEEER 	C35H58N12O16	902.4094	NA	PeJP	NA	NA
+PJ073227	SLEMMHR 	C36H62N12O11S2	902.4103	NA	PeJP	NA	NA
+PJ073228	STEHHHR 	C36H54N16O12	902.4107	NA	PeJP	NA	NA
+PJ073229	TTDHHHR 	C36H54N16O12	902.4108	NA	PeJP	NA	NA
+PJ073230	GPVQMWW 	C44H58N10O9S	902.4109	NA	PeJP	NA	NA
+PJ073231	AFFFWW 	C52H54N8O7	902.4116	NA	PeJP	NA	NA
+PJ073232	SPQKEEW 	C40H58N10O14	902.4134	NA	PeJP	NA	NA
+PJ073233	GGGVVVDDW 	C40H58N10O14	902.4135	NA	PeJP	NA	NA
+PJ073234	GSSTCHRR 	C33H58N16O12S	902.4141	NA	PeJP	NA	NA
+PJ073235	SVLMMHW 	C41H62N10O9S2	902.4143	NA	PeJP	NA	NA
+PJ073236	NNQRWW 	C41H54N14O10	902.4148	NA	PeJP	NA	NA
+PJ073237	SSSTCKKY 	C37H62N10O14S	902.4168	NA	PeJP	NA	NA
+PJ073238	GTTLYYW 	C45H58N8O12	902.4174	NA	PeJP	NA	NA
+PJ073239	PPVEEFW 	C45H58N8O12	902.4175	NA	PeJP	NA	NA
+PJ073240	CCKKKMY 	C38H66N10O9S3	902.4177	NA	PeJP	NA	NA
+PJ073241	APCDRRW 	C38H58N14O10S	902.4181	NA	PeJP	NA	NA
+PJ073242	GPCERRW 	C38H58N14O10S	902.4182	NA	PeJP	NA	NA
+PJ073243	VNDDERR 	C34H58N14O15	902.4206	NA	PeJP	NA	NA
+PJ073244	GQEEERR 	C34H58N14O15	902.4207	NA	PeJP	NA	NA
+PJ073245	PVLEEMW 	C42H62N8O12S	902.4208	NA	PeJP	NA	NA
+PJ073246	GSPPCMRR 	C35H62N14O10S2	902.4215	NA	PeJP	NA	NA
+PJ073247	PQMRWW 	C43H58N12O8S	902.4222	NA	PeJP	NA	NA
+PJ073248	AALLEEEE 	C38H62N8O17	902.4233	NA	PeJP	NA	NA
+PJ073249	SPPVLEMM 	C39H66N8O12S2	902.4242	NA	PeJP	NA	NA
+PJ073250	GVQEERW 	C39H58N12O13	902.4247	NA	PeJP	NA	NA
+PJ073251	ACKKMHW 	C40H62N12O8S2	902.4255	NA	PeJP	NA	NA
+PJ073252	GPNHHRW 	C40H54N16O9	902.426	NA	PeJP	NA	NA
+PJ073253	PNKEEMR 	C36H62N12O13S	902.428	NA	PeJP	NA	NA
+PJ073254	GGPKEEMR 	C36H62N12O13S	902.4281	NA	PeJP	NA	NA
+PJ073255	GPTKEWW 	C44H58N10O11	902.4287	NA	PeJP	NA	NA
+PJ073256	VVMMMHR 	C37H66N12O8S3	902.4289	NA	PeJP	NA	NA
+PJ073257	GCQHFRR 	C37H58N16O9S	902.4294	NA	PeJP	NA	NA
+MJ097322	Antibiotic L 687781 	C47H66O17	902.43	NA	MeJP	NA	NA
+PJ073258	GDDERRR 	C33H58N16O14	902.4319	NA	PeJP	NA	NA
+PJ073259	ASLMRYY 	C41H62N10O11S	902.432	NA	PeJP	NA	NA
+PJ073260	PVNKEMW 	C41H62N10O11S	902.4321	NA	PeJP	NA	NA
+PJ073261	PKFYYW 	C49H58N8O9	902.4327	NA	PeJP	NA	NA
+PJ073262	TCCKHRR 	C34H62N16O9S2	902.4328	NA	PeJP	NA	NA
+PJ073263	PCRRWW 	C42H58N14O7S	902.4334	NA	PeJP	NA	NA
+PJ073264	SSSSPPTLQ 	C37H62N10O16	902.4345	NA	PeJP	NA	NA
+PJ073265	VLEEEER 	C37H62N10O16	902.4346	NA	PeJP	NA	NA
+PJ073266	GTTLLMMH 	C38H66N10O11S2	902.4354	NA	PeJP	NA	NA
+PJ073267	GGGGAPLLMM 	C38H66N10O11S2	902.4355	NA	PeJP	NA	NA
+PJ073268	QEERRW 	C38H58N14O12	902.4359	NA	PeJP	NA	NA
+PJ073269	LKMYYW 	C46H62N8O9S	902.4361	NA	PeJP	NA	NA
+PJ073270	AKHHHHH 	C39H54N18O8	902.4372	NA	PeJP	NA	NA
+PJ073271	VVLEEEW 	C42H62N8O14	902.4386	NA	PeJP	NA	NA
+PJ073272	SPQEMRR 	C35H62N14O12S	902.4393	NA	PeJP	NA	NA
+PJ073273	ALKMMFY 	C43H66N8O9S2	902.4394	NA	PeJP	NA	NA
+PJ073274	APPPLMMF 	C43H66N8O9S2	902.4395	NA	PeJP	NA	NA
+PJ073275	VQERWW 	C43H58N12O10	902.4399	NA	PeJP	NA	NA
+PJ073276	APTLLEEM 	C39H66N8O14S	902.442	NA	PeJP	NA	NA
+PJ073277	APPLLMMM 	C40H70N8O9S3	902.4428	NA	PeJP	NA	NA
+PJ073278	GPKEMRW 	C40H62N12O10S	902.4433	NA	PeJP	NA	NA
+PJ073279	PTKWWW 	C48H58N10O8	902.4439	NA	PeJP	NA	NA
+PJ073280	GGVLWWW 	C48H58N10O8	902.444	NA	PeJP	NA	NA
+PJ073281	VNKEEER 	C36H62N12O15	902.4458	NA	PeJP	NA	NA
+PJ073282	GSPPKMMR 	C37H66N12O10S2	902.4467	NA	PeJP	NA	NA
+PJ073283	DDRRRW 	C37H58N16O11	902.4471	NA	PeJP	NA	NA
+PJ073284	GGGGGTRRW 	C37H58N16O11	902.4472	NA	PeJP	NA	NA
+PJ073285	GPVKMWW 	C45H62N10O8S	902.4473	NA	PeJP	NA	NA
+PJ073286	SPKKEEW 	C41H62N10O13	902.4498	NA	PeJP	NA	NA
+PJ073287	SPCERRR 	C34H62N16O11S	902.4505	NA	PeJP	NA	NA
+PJ073288	CCKKKFF 	C42H66N10O8S2	902.4507	NA	PeJP	NA	NA
+MJ097323	3,24-Dihydroxyspirostan-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], 24-O-?-D-glucopyranoside 	C44H70O19	902.45113	NA	MeJP	NA	NA
+MJ097324	3,27-Dihydroxyspirostan-6-one, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C44H70O19	902.45113	NA	MeJP	NA	NA
+MJ097325	Spirost-5-ene-3,17,27-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C44H70O19	902.45113	NA	MeJP	NA	NA
+PJ073289	AERRWW 	C42H58N14O9	902.4512	NA	PeJP	NA	NA
+PJ073290	STTTLLMH 	C38H66N10O13S	902.4532	NA	PeJP	NA	NA
+PJ073291	PPVLEYW 	C46H62N8O11	902.4538	NA	PeJP	NA	NA
+PJ073292	GPPPLEFF 	C46H62N8O11	902.4539	NA	PeJP	NA	NA
+PJ073293	LLKMMMH 	C39H70N10O8S3	902.4541	NA	PeJP	NA	NA
+PJ073294	GPTMRRW 	C39H62N14O9S	902.4545	NA	PeJP	NA	NA
+PJ073295	GLRWWW 	C47H58N12O7	902.4552	NA	PeJP	NA	NA
+PJ073296	GKEEERR 	C35H62N14O14	902.457	NA	PeJP	NA	NA
+PJ073297	GGGGGSVKER 	C35H62N14O14	902.4571	NA	PeJP	NA	NA
+PJ073298	SVLKMYY 	C43H66N8O11S	902.4572	NA	PeJP	NA	NA
+PJ073299	PVNMMRR 	C36H66N14O9S2	902.4579	NA	PeJP	NA	NA
+PJ073300	SPNHHRR 	C36H58N18O10	902.4584	NA	PeJP	NA	NA
+PJ073301	PKMRWW 	C44H62N12O7S	902.4586	NA	PeJP	NA	NA
+PJ073302	GTLLLEEE 	C39H66N8O16	902.4597	NA	PeJP	NA	NA
+PJ073303	GPLLLEMM 	C40H70N8O11S2	902.4606	NA	PeJP	NA	NA
+PJ073304	SPTKERW 	C40H62N12O12	902.461	NA	PeJP	NA	NA
+PJ073305	GVKEERW 	C40H62N12O12	902.4611	NA	PeJP	NA	NA
+2641	synthetic fr,of human beta-CN (38-52) ACE inhibitor	DKIYPSFQPQPLIYP	902.46145	MH2+	Inhouse_peptide	NA	peptide
+PJ073306	GNNMRRR 	C33H62N18O10S	902.4617	NA	PeJP	NA	NA
+PJ073307	GGGNMRRR 	C33H62N18O10S	902.4618	NA	PeJP	NA	NA
+PJ073308	GLHHHFR 	C41H58N16O8	902.4624	NA	PeJP	NA	NA
+PJ073309	PDKKEMR 	C37H66N12O12S	902.4644	NA	PeJP	NA	NA
+PJ073310	GGGGGGGLLKM 	C37H66N12O12S	902.4645	NA	PeJP	NA	NA
+PJ073311	AALKEWW 	C45H62N10O10	902.4651	NA	PeJP	NA	NA
+PJ073312	GCKHFRR 	C38H62N16O8S	902.4658	NA	PeJP	NA	NA
+MJ097326	3,16,17-Trihydroxycholest-5-en-22-one, 16-O-[3,4-Dimethoxybenzoyl-(?2)-?-D-xylopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] 	C48H70O16	902.466386	NA	MeJP	NA	NA
+PJ073313	STQQQRR 	C34H62N16O13	902.4682	NA	PeJP	NA	NA
+PJ073314	GTEERRR 	C34H62N16O13	902.4683	NA	PeJP	NA	NA
+PJ073315	PTLQKMW 	C42H66N10O10S	902.4684	NA	PeJP	NA	NA
+PJ073316	PVDKKMW 	C42H66N10O10S	902.4685	NA	PeJP	NA	NA
+PJ073317	LKFFYW 	C50H62N8O8	902.4691	NA	PeJP	NA	NA
+PJ073318	LQKKEEE 	C38H66N10O15	902.4709	NA	PeJP	NA	NA
+PJ073319	GALKKEEE 	C38H66N10O15	902.471	NA	PeJP	NA	NA
+PJ073320	APPTKKMM 	C39H70N10O10S2	902.4718	NA	PeJP	NA	NA
+PJ073321	KEERRW 	C39H62N14O11	902.4723	NA	PeJP	NA	NA
+PJ073322	PPLLMFW 	C47H66N8O8S	902.4725	NA	PeJP	NA	NA
+PJ073323	TLLLEEW 	C43H66N8O13	902.475	NA	PeJP	NA	NA
+PJ073324	VNQQKMR 	C36H66N14O11S	902.4756	NA	PeJP	NA	NA
+PJ073325	SPKEMRR 	C36H66N14O11S	902.4757	NA	PeJP	NA	NA
+PJ073326	PLLLMMW 	C44H70N8O8S2	902.4758	NA	PeJP	NA	NA
+2611	synthetic peptide inhibitors of (PEP)	IYPFPGPI	902.476	NA	Inhouse_peptide	NA	peptide
+PJ073327	VKERWW 	C44H62N12O9	902.4763	NA	PeJP	NA	NA
+PJ073328	VVVVLDEM 	C40H70N8O13S	902.4783	NA	PeJP	NA	NA
+PJ073329	GVLLLEEM 	C40H70N8O13S	902.4784	NA	PeJP	NA	NA
+PJ073330	SSNQRRR 	C33H62N18O12	902.4795	NA	PeJP	NA	NA
+PJ073331	SPVKMRW 	C41H66N12O9S	902.4797	NA	PeJP	NA	NA
+PJ073332	VVKWWW 	C49H62N10O7	902.4803	NA	PeJP	NA	NA
+PJ073333	VDKKEER 	C37H66N12O14	902.4822	NA	PeJP	NA	NA
+PJ073334	PLQKMMR 	C38H70N12O9S2	902.4831	NA	PeJP	NA	NA
+PJ073335	TERRRW 	C38H62N16O10	902.4835	NA	PeJP	NA	NA
+PJ073336	ALKKEEW 	C42H66N10O12	902.4862	NA	PeJP	NA	NA
+PJ073337	GVEMRRR 	C35H66N16O10S	902.4869	NA	PeJP	NA	NA
+C17470	Asparasaponin II	C45H74O18	902.4875	NA	KEGG	NA	NA
+PJ073338	SLRRWW 	C43H62N14O8	902.4875	NA	PeJP	NA	NA
+MJ097327	3,26-Dihydroxycholest-5-ene-16,22-dione, 5,6-Dihydro, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097328	Furost-20(22)-ene-2,3,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097329	Furost-20(22)-ene-3,26-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097330	Furost-20(22)-ene-3,26-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097331	Furost-25(27)-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097332	Furost-4-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097333	Furost-5-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097334	Furost-5-ene-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097335	Furostane-3,6,22,26-tetrol, 3-Ketone, 22-Me ether, 6-O-[?-D-xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097336	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097337	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097338	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097339	Spirostan-3-ol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097340	Spirostan-3-ol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097341	Spirostan-3-ol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097342	Spirostane-2,3-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+MJ097343	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H74O18	902.487515	NA	MeJP	NA	NA
+PJ073339	AAPFRRW 	C43H62N14O8	902.4876	NA	PeJP	NA	NA
+PJ073340	LLLEEMR 	C39H70N10O12S	902.4896	NA	PeJP	NA	NA
+MJ097344	Dichotomin H 	C47H66N8O10	902.49019	NA	MeJP	NA	NA
+PJ073341	PVLLEFW 	C47H66N8O10	902.4902	NA	PeJP	NA	NA
+PJ073342	AALMRRW 	C40H66N14O8S	902.4909	NA	PeJP	NA	NA
+PJ073343	SVKEERR 	C36H66N14O13	902.4934	NA	PeJP	NA	NA
+PJ073344	VLLLEMW 	C44H70N8O10S	902.4936	NA	PeJP	NA	NA
+PJ073345	PCLKMRR 	C37H70N14O8S2	902.4943	NA	PeJP	NA	NA
+PJ073346	GLQHHRR 	C37H62N18O9	902.4948	NA	PeJP	NA	NA
+PJ073347	SSLLLLEE 	C40H70N8O15	902.4961	NA	PeJP	NA	NA
+PJ073348	SPVLLLMM 	C41H74N8O10S2	902.497	NA	PeJP	NA	NA
+PJ073349	ATLKERW 	C41H66N12O11	902.4974	NA	PeJP	NA	NA
+PJ073350	GGAKKKEW 	C41H66N12O11	902.4975	NA	PeJP	NA	NA
+PJ073351	EMRRRR 	C34H66N18O9S	902.4981	NA	PeJP	NA	NA
+PJ073352	VLQKEMR 	C38H70N12O11S	902.5008	NA	PeJP	NA	NA
+PJ073353	GTLLKWW 	C46H66N10O9	902.5015	NA	PeJP	NA	NA
+PJ073354	VMRRRW 	C39H66N16O7S	902.5022	NA	PeJP	NA	NA
+PJ073355	SNDKKRR 	C35H66N16O12	902.5046	NA	PeJP	NA	NA
+PJ073356	SSLERRR 	C35H66N16O12	902.5047	NA	PeJP	NA	NA
+PJ073357	PTLKKMW 	C43H70N10O9S	902.5048	NA	PeJP	NA	NA
+PJ073358	AAHHRRR 	C36H62N20O8	902.506	NA	PeJP	NA	NA
+PJ073359	LKKKEEE 	C39H70N10O14	902.5073	NA	PeJP	NA	NA
+PJ073360	GPVLKKMM 	C40H74N10O9S2	902.5082	NA	PeJP	NA	NA
+PJ073361	ATTLRRW 	C40H66N14O10	902.5087	NA	PeJP	NA	NA
+PJ073362	SPPTLLLY 	C44H70N8O12	902.5113	NA	PeJP	NA	NA
+PJ073363	GPVLLLEY 	C44H70N8O12	902.5114	NA	PeJP	NA	NA
+PJ073364	VVDKMRR 	C37H70N14O10S	902.512	NA	PeJP	NA	NA
+PJ073365	ALKEMRR 	C37H70N14O10S	902.5121	NA	PeJP	NA	NA
+PJ073366	QKKKWW 	C45H66N12O8	902.5127	NA	PeJP	NA	NA
+PJ073367	ATLLLLEM 	C41H74N8O12S	902.5147	NA	PeJP	NA	NA
+PJ073368	SSNKRRR 	C34H66N18O11	902.5159	NA	PeJP	NA	NA
+PJ073369	GLLKMRW 	C42H70N12O8S	902.5161	NA	PeJP	NA	NA
+PJ073370	TLKKEER 	C38H70N12O13	902.5186	NA	PeJP	NA	NA
+PJ073371	PLKKMMR 	C39H74N12O8S2	902.5194	NA	PeJP	NA	NA
+PJ073372	GPVRRRY 	C39H66N16O9	902.5199	NA	PeJP	NA	NA
+PJ073373	SLLKKEW 	C43H70N10O11	902.5226	NA	PeJP	NA	NA
+PJ073374	ATLMRRR 	C36H70N16O9S	902.5233	NA	PeJP	NA	NA
+MJ097345	3,6,16,22-Hopanetetrol, 3-O-[?-L-Arabinofuranosyl-(1?5)-?-L-arabinofuranosyl-(1?4)-?-D-glucopyranoside] 	C46H78O17	902.523901	NA	MeJP	NA	NA
+MJ097346	Antibiotic X 14868A; O5-De-Me 	C46H78O17	902.523901	NA	MeJP	NA	NA
+MJ097347	Cycloartane-1,3,7,24,25-pentol, 3-O-?-L-Rhamnopyranoside, 24-O-[?-D-xylopyranosyl-(1?2)-?-D-xylopyranoside] 	C46H78O17	902.523901	NA	MeJP	NA	NA
+PJ073375	AALLKKEM 	C40H74N10O11S	902.526	NA	PeJP	NA	NA
+PJ073376	PVLLLYW 	C48H70N8O9	902.5266	NA	PeJP	NA	NA
+PJ073377	TTLKERR 	C37H70N14O12	902.5298	NA	PeJP	NA	NA
+PJ073378	GPLLLLMF 	C45H74N8O9S	902.53	NA	PeJP	NA	NA
+PJ073379	PRRRRY 	C38H66N18O8	902.5311	NA	PeJP	NA	NA
+PJ073380	GLKHHRR 	C38H66N18O8	902.5312	NA	PeJP	NA	NA
+PJ073381	TTTLLLLE 	C41H74N8O14	902.5325	NA	PeJP	NA	NA
+MJ097348	Lycogaride C; 17',18'-Dihydro 	C57H74O9	902.533283	NA	MeJP	NA	NA
+PJ073382	GLLLLLMM 	C42H78N8O9S2	902.5334	NA	PeJP	NA	NA
+PJ073383	STLLKRW 	C42H70N12O10	902.5338	NA	PeJP	NA	NA
+PJ073384	GCKKRRR 	C35H70N18O8S	902.5345	NA	PeJP	NA	NA
+PJ073385	VLKKEMR 	C39H74N12O10S	902.5372	NA	PeJP	NA	NA
+PJ073386	PVVKKFW 	C47H70N10O8	902.5379	NA	PeJP	NA	NA
+PJ073387	TTTLRRR 	C36H70N16O11	902.541	NA	PeJP	NA	NA
+PJ073388	VVLKKMW 	C44H74N10O8S	902.5412	NA	PeJP	NA	NA
+PJ073389	ATTLLKKE 	C40H74N10O13	902.5437	NA	PeJP	NA	NA
+PJ073390	GTKKKRW 	C41H70N14O9	902.5451	NA	PeJP	NA	NA
+PJ073391	APTLLLLY 	C45H74N8O11	902.5477	NA	PeJP	NA	NA
+PJ073392	GVLLLLEF 	C45H74N8O11	902.5478	NA	PeJP	NA	NA
+PJ073393	SLLKMRR 	C38H74N14O9S	902.5484	NA	PeJP	NA	NA
+PJ073394	KKKKWW 	C46H70N12O7	902.5491	NA	PeJP	NA	NA
+PJ073395	STLLLLLM 	C42H78N8O11S	902.5511	NA	PeJP	NA	NA
+PJ073396	ATTTLLKR 	C39H74N12O12	902.5549	NA	PeJP	NA	NA
+PJ073397	SSSLLLKR 	C39H74N12O12	902.555	NA	PeJP	NA	NA
+PJ073398	GVLFRRR 	C40H70N16O8	902.5563	NA	PeJP	NA	NA
+PJ073399	AAPLLKKY 	C44H74N10O10	902.559	NA	PeJP	NA	NA
+PJ073400	GKKKMRR 	C37H74N16O8S	902.5597	NA	PeJP	NA	NA
+PJ073401	GTLLLKKM 	C41H78N10O10S	902.5624	NA	PeJP	NA	NA
+PJ073402	VLLLLFW 	C49H74N8O8	902.563	NA	PeJP	NA	NA
+PJ073403	SKKKKER 	C38H74N14O11	902.5662	NA	PeJP	NA	NA
+PJ073404	LFRRRR 	C39H70N18O7	902.5675	NA	PeJP	NA	NA
+PJ073405	SVKKKKW 	C43H74N12O9	902.5702	NA	PeJP	NA	NA
+MJ097349	Antibiotic SF 2748; Antibiotic SF 2748B 	C46H82N2O15	902.571519	NA	MeJP	NA	NA
+PJ073406	LQKKKKM 	C40H78N12O9S	902.5736	NA	PeJP	NA	NA
+PJ073407	STKKKRR 	C37H74N16O10	902.5774	NA	PeJP	NA	NA
+PJ073408	STTLLLKK 	C41H78N10O12	902.5801	NA	PeJP	NA	NA
+PJ073409	ALLKFRR 	C42H74N14O8	902.5814	NA	PeJP	NA	NA
+PJ073410	GVLLLLLY 	C46H78N8O10	902.5841	NA	PeJP	NA	NA
+PJ073411	CLKKKKR 	C39H78N14O8S	902.5848	NA	PeJP	NA	NA
+PJ073412	GTTLKKKK 	C40H78N12O11	902.5913	NA	PeJP	NA	NA
+C05798	Bacterio-pheophytins	C56H78N4O6	902.5921	NA	KEGG	NA	NA
+C05799	Bacterio-chlorophylls	C56H78N4O6	902.5921	NA	KEGG	NA	NA
+MJ097350	Bacterio-pheophytins 	C56H78N4O6	902.592136	NA	MeJP	NA	NA
+PJ073413	LLLLLRY 	C45H78N10O9	902.5954	NA	PeJP	NA	NA
+PJ073414	VLLKKFR 	C44H78N12O8	902.6066	NA	PeJP	NA	NA
+PJ073415	LKKKKKM 	C41H82N12O8S	902.61	NA	PeJP	NA	NA
+MJ097351	Bacterioruberin; 3''-O-Glucopyranoside 	C56H86O9	902.627184	NA	MeJP	NA	NA
+MJ097352	Glucolipsins; Glucolipsin B 	C49H90O14	902.633057	NA	MeJP	NA	NA
+MJ097353	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-tetracosanoyl 	C58H94O7	902.699955	NA	MeJP	NA	NA
+HMDB05392	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H98O6	902.736328	NA	HMDB2010	NA	NA
+HMDB05475	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H98O6	902.736328	NA	HMDB2010	NA	NA
+HMDB10476	TG(18:2(9Z,12Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C59H98O6	902.736328	NA	HMDB2010	NA	NA
+HMDB10483	TG(18:2(9Z,12Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C59H98O6	902.736328	NA	HMDB2010	NA	NA
+HMDB10523	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	C59H98O6	902.736328	NA	HMDB2010	NA	NA
+HMDB05392	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H98O6	902.73633	http://www.hmdb.ca/metabolites/HMDB05392	HMDB	NA	NA
+HMDB05475	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H98O6	902.73633	http://www.hmdb.ca/metabolites/HMDB05475	HMDB	NA	NA
+HMDB05392	TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H98O6	902.73633	HMDB05392	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05475	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H98O6	902.73633	HMDB05475	PFEM_hmdb_metabocards_official	NA	NA
+MJ097354	Polyprenol; Betulaprenol 13 	C65H106O	902.824368	NA	MeJP	NA	NA
+5421	formaecin 2	GRPNPVNTKPTPYPRL	902.9859	MH2+	Inhouse_peptide	NA	peptide
+PJ073416	CCCCNDDE 	C29H45N9O16S4	903.1868	NA	PeJP	NA	NA
+PJ073417	GCCCCDDW 	C33H45N9O13S4	903.202	NA	PeJP	NA	NA
+HMDB06258	2,6-Dimethylheptanoyl-CoA	C30H48N7O17P3S	903.204041	NA	HMDB2010	NA	NA
+PJ073418	GSSCCCDDD 	C29H45N9O18S3	903.2045	NA	PeJP	NA	NA
+PJ073419	GSPCCCCCE 	C30H49N9O13S5	903.2054	NA	PeJP	NA	NA
+PJ073420	CCCCNNNM 	C29H49N11O12S5	903.2166	NA	PeJP	NA	NA
+PJ073421	SPCCCCCW 	C34H49N9O10S5	903.2206	NA	PeJP	NA	NA
+PJ073422	SCCCNDEM 	C30H49N9O15S4	903.2231	NA	PeJP	NA	NA
+PJ073423	PCCCCNMM 	C31H53N9O10S6	903.224	NA	PeJP	NA	NA
+PJ073424	SCCCCDDR 	C29H49N11O14S4	903.2344	NA	PeJP	NA	NA
+PJ073425	GCCNDDDY 	C33H45N9O17S2	903.2375	NA	PeJP	NA	NA
+PJ073426	GSCCCDMW 	C34H49N9O12S4	903.2384	NA	PeJP	NA	NA
+PJ073427	GSSSCCDDM 	C30H49N9O17S3	903.2409	NA	PeJP	NA	NA
+PJ073428	GCCNDMMM 	C31H53N9O12S5	903.2418	NA	PeJP	NA	NA
+PJ073429	CCCCFYY 	C39H49N7O10S4	903.2424	NA	PeJP	NA	NA
+PJ073430	SSSSCCCNN 	C29H49N11O16S3	903.2521	NA	PeJP	NA	NA
+PJ073431	GCCCCEMR 	C30H53N11O11S5	903.253	NA	PeJP	NA	NA
+PJ073432	TCCCCWW 	C38H49N9O9S4	903.2536	NA	PeJP	NA	NA
+FL7AAAGL0060	Pelargonidin 3-O-[2-O-beta-D-glucopyranosyl-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-glucosyl-6-p-coumarylglucoside)-5-glucoside;Pharbitis Red anthocyanin 7	C42H47O22	903.25589	30375-85-0	knapsack	NA	NA
+FL7AACGA0012	Cyanidin 3-robinobioside-5-(6-p-coumarylglucoside)	C42H47O22	903.25589	151677-00-8	knapsack	NA	NA
+FL7AACGL0079	Cyananin	C42H47O22	903.25589	135558-27-9	knapsack	NA	NA
+C16292	Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside	C42H47O22	903.2559	NA	KEGG	NA	NA
+PJ073433	SSSCCCEW 	C34H49N9O14S3	903.2561	NA	PeJP	NA	NA
+PJ073434	GGSPCCCDY 	C34H49N9O14S3	903.2562	NA	PeJP	NA	NA
+PJ073435	CCCQMMW 	C35H53N9O9S5	903.257	NA	PeJP	NA	NA
+PJ073436	SSSSSCCDE 	C30H49N9O19S2	903.2586	NA	PeJP	NA	NA
+PJ073437	SSCCNEMM 	C31H53N9O14S4	903.2595	NA	PeJP	NA	NA
+PJ073438	SCCCYYY 	C39H49N7O12S3	903.2602	NA	PeJP	NA	NA
+PJ073439	GCCCNMHH 	C32H49N13O10S4	903.2609	NA	PeJP	NA	NA
+PJ073440	DDDDMMY 	C35H49N7O17S2	903.2627	NA	PeJP	NA	NA
+PJ073441	GCNDDDEH 	C32H45N11O18S	903.2665	NA	PeJP	NA	NA
+PJ073442	DDMMMMM 	C33H57N7O12S5	903.2669	NA	PeJP	NA	NA
+PJ073443	GCCCNNQY 	C33H49N11O13S3	903.2674	NA	PeJP	NA	NA
+PJ073444	CCCCMRW 	C34H53N11O8S5	903.2683	NA	PeJP	NA	NA
+PJ073445	SSCCCDMR 	C30H53N11O13S4	903.2708	NA	PeJP	NA	NA
+PJ073446	CCCNEFW 	C38H49N9O11S3	903.2714	NA	PeJP	NA	NA
+PJ073447	GSCNDDMY 	C34H49N9O16S2	903.2739	NA	PeJP	NA	NA
+PJ073448	GSSCCMMW 	C35H53N9O11S4	903.2748	NA	PeJP	NA	NA
+PJ073449	DDDDDFY 	C38H45N7O19	903.2771	NA	PeJP	NA	NA
+PJ073450	GSSSSCDMM 	C31H53N9O16S3	903.2773	NA	PeJP	NA	NA
+PJ073451	GSCNMMMM 	C32H57N9O11S5	903.2781	NA	PeJP	NA	NA
+PJ073452	GGGSCMMMM 	C32H57N9O11S5	903.2782	NA	PeJP	NA	NA
+PJ073453	SSCCCQHH 	C32H49N13O12S3	903.2786	NA	PeJP	NA	NA
+PJ073454	DDDMMMF 	C36H53N7O14S3	903.2813	NA	PeJP	NA	NA
+PJ073455	CNDDDHW 	C36H45N11O15S	903.2818	NA	PeJP	NA	NA
+PJ073456	SSNDDDDH 	C32H45N11O20	903.2843	NA	PeJP	NA	NA
+PJ073457	SSCCNNNY 	C33H49N11O15S2	903.2851	NA	PeJP	NA	NA
+PJ073458	GGGGGGSSCCY 	C33H49N11O15S2	903.2852	NA	PeJP	NA	NA
+PJ073459	GPCCCCRY 	C34H53N11O10S4	903.286	NA	PeJP	NA	NA
+PJ073460	GCCCFWW 	C42H49N9O8S3	903.2867	NA	PeJP	NA	NA
+PJ073461	SCCNEYW 	C38H49N9O13S2	903.2892	NA	PeJP	NA	NA
+PJ073462	GTCCCMMR 	C31H57N11O10S5	903.2894	NA	PeJP	NA	NA
+PJ073463	SSSCNDEY 	C34H49N9O18S	903.2917	NA	PeJP	NA	NA
+PJ073464	SSSTCCMW 	C35H53N9O13S3	903.2925	NA	PeJP	NA	NA
+PJ073465	CCCKMMW 	C36H57N9O8S5	903.2934	NA	PeJP	NA	NA
+PJ073466	SSSSSSCEM 	C31H53N9O18S2	903.295	NA	PeJP	NA	NA
+PJ073467	PCDDEYY 	C39H49N7O16S	903.2957	NA	PeJP	NA	NA
+PJ073468	SSSCQMMM 	C32H57N9O13S4	903.2959	NA	PeJP	NA	NA
+PJ073469	GSSSSCCHH 	C32H49N13O14S2	903.2964	NA	PeJP	NA	NA
+PJ073470	ACCCCKHH 	C33H53N13O9S4	903.2973	NA	PeJP	NA	NA
+PJ073471	SDEEMMY 	C36H53N7O16S2	903.2991	NA	PeJP	NA	NA
+PJ073472	PCEMMMY 	C37H57N7O11S4	903.2999	NA	PeJP	NA	NA
+PJ073473	GSPCCDHW 	C37H49N11O12S2	903.3004	NA	PeJP	NA	NA
+PJ073474	GSNDDEMH 	C33H49N11O17S	903.3029	NA	PeJP	NA	NA
+PJ073475	TEMMMMM 	C34H61N7O11S5	903.3033	NA	PeJP	NA	NA
+PJ073476	CCNDMRY 	C34H53N11O12S3	903.3038	NA	PeJP	NA	NA
+PJ073477	GSCCYWW 	C42H49N9O10S2	903.3044	NA	PeJP	NA	NA
+PJ073478	CCMHHHH 	C35H49N15O8S3	903.3051	NA	PeJP	NA	NA
+PJ073479	GSSSCDYW 	C38H49N9O15S	903.3069	NA	PeJP	NA	NA
+PJ073480	SSSCCMMR 	C31H57N11O12S4	903.3071	NA	PeJP	NA	NA
+PJ073481	GCNMMYW 	C39H53N9O10S3	903.3078	NA	PeJP	NA	NA
+PJ073482	GSSSSSDDY 	C34H49N9O20	903.3094	NA	PeJP	NA	NA
+PJ073483	GSSNDMMY 	C35H53N9O15S2	903.3103	NA	PeJP	NA	NA
+PJ073484	DDDEHHH 	C35H45N13O16	903.3108	NA	PeJP	NA	NA
+PJ073485	CNQMMMF 	C36H57N9O10S4	903.3111	NA	PeJP	NA	NA
+PJ073486	GPCCCKMY 	C36H57N9O10S4	903.3112	NA	PeJP	NA	NA
+PJ073487	CCNNQHW 	C36H49N13O11S2	903.3116	NA	PeJP	NA	NA
+PJ073488	GGGGGACCHW 	C36H49N13O11S2	903.3117	NA	PeJP	NA	NA
+PJ073489	GDEEEYY 	C39H49N7O18	903.3134	NA	PeJP	NA	NA
+PJ073490	GSSSSSMMM 	C32H57N9O15S3	903.3137	NA	PeJP	NA	NA
+PJ073491	GSCDDDHR 	C32H49N13O16S	903.3141	NA	PeJP	NA	NA
+PJ073492	GGGGGGSSCEH 	C32H49N13O16S	903.3142	NA	PeJP	NA	NA
+PJ073493	PCDEMFY 	C40H53N7O13S2	903.3143	NA	PeJP	NA	NA
+PJ073494	GTCCKMMM 	C33H61N9O10S5	903.3145	NA	PeJP	NA	NA
+PJ073495	GPCCCEHR 	C33H53N13O11S3	903.315	NA	PeJP	NA	NA
+PJ073496	AEEMMMY 	C37H57N7O13S3	903.3177	NA	PeJP	NA	NA
+PJ073497	CNNNNYY 	C37H49N11O14S	903.3181	NA	PeJP	NA	NA
+PJ073498	SNDDMHW 	C37H49N11O14S	903.3182	NA	PeJP	NA	NA
+PJ073499	ACCCRYW 	C38H53N11O9S3	903.319	NA	PeJP	NA	NA
+PJ073500	SPNNNDDE 	C33H49N11O19	903.3206	NA	PeJP	NA	NA
+PJ073501	GPDDDDDR 	C33H49N11O19	903.3207	NA	PeJP	NA	NA
+PJ073502	GSSCCERY 	C34H53N11O14S2	903.3215	NA	PeJP	NA	NA
+PJ073503	GGGGGGPPCDM 	C34H53N11O14S2	903.3216	NA	PeJP	NA	NA
+PJ073504	VMMMMMM 	C35H65N7O8S6	903.3219	NA	PeJP	NA	NA
+PJ073505	GCNDFYW 	C42H49N9O12S	903.3222	NA	PeJP	NA	NA
+PJ073506	CCNMMFR 	C35H57N11O9S4	903.3224	NA	PeJP	NA	NA
+PJ073507	GPCCNHHH 	C35H49N15O10S2	903.3229	NA	PeJP	NA	NA
+PJ073508	PNDDEEW 	C38H49N9O17	903.3247	NA	PeJP	NA	NA
+PJ073509	SSCQMYW 	C39H53N9O12S2	903.3255	NA	PeJP	NA	NA
+PJ073510	SPPPCCDW 	C39H53N9O12S2	903.3256	NA	PeJP	NA	NA
+PJ073511	SSSSNEMY 	C35H53N9O17S	903.328	NA	PeJP	NA	NA
+PJ073512	TEEEEMH 	C35H53N9O17S	903.3281	NA	PeJP	NA	NA
+PJ073513	DEEYYW 	C43H49N7O15	903.3287	NA	PeJP	NA	NA
+PJ073514	SNQMMMY 	C36H57N9O12S3	903.3289	NA	PeJP	NA	NA
+PJ073515	GSSCNNHW 	C36H49N13O13S	903.3294	NA	PeJP	NA	NA
+PJ073516	PCCCHRW 	C37H53N13O8S3	903.3303	NA	PeJP	NA	NA
+PJ073517	SSSSSSTMM 	C32H57N9O17S2	903.3314	NA	PeJP	NA	NA
+PJ073518	GSSSSNNDH 	C32H49N13O18	903.3319	NA	PeJP	NA	NA
+PJ073519	SPDEMYY 	C40H53N7O15S	903.3321	NA	PeJP	NA	NA
+PJ073520	SSSCKMMM 	C33H61N9O12S4	903.3323	NA	PeJP	NA	NA
+PJ073521	CNDEMHR 	C33H53N13O13S2	903.3328	NA	PeJP	NA	NA
+PJ073522	PPCMMYY 	C41H57N7O10S3	903.3329	NA	PeJP	NA	NA
+PJ073523	GSCEHWW 	C41H49N11O11S	903.3334	NA	PeJP	NA	NA
+PJ073524	TTEEMMY 	C37H57N7O15S2	903.3354	NA	PeJP	NA	NA
+PJ073525	GSSSDEHW 	C37H49N11O16	903.3359	NA	PeJP	NA	NA
+PJ073526	PTMMMMY 	C38H61N7O10S4	903.3363	NA	PeJP	NA	NA
+PJ073527	SSCCRYW 	C38H53N11O11S2	903.3368	NA	PeJP	NA	NA
+PJ073528	SSSSCDRY 	C34H53N11O16S	903.3393	NA	PeJP	NA	NA
+PJ073529	GPDDEWW 	C42H49N9O14	903.3399	NA	PeJP	NA	NA
+PJ073530	SCNMMRY 	C35H57N11O11S3	903.3401	NA	PeJP	NA	NA
+PJ073531	GGSCMMRY 	C35H57N11O11S3	903.3402	NA	PeJP	NA	NA
+PJ073532	NNDMHHH 	C35H49N15O12S	903.3406	NA	PeJP	NA	NA
+PJ073533	GCNMFFW 	C43H53N9O9S2	903.3408	NA	PeJP	NA	NA
+PJ073534	SNNNNNNN 	C31H49N15O17	903.3431	NA	PeJP	NA	NA
+PJ073535	GGGGGGGGGGSNN 	C31H49N15O17	903.3432	NA	PeJP	NA	NA
+MJ097355	Amanitin; ?-Amanitin, Deoxy 	C39H53N9O14S	903.343268	NA	MeJP	NA	NA
+MJ097356	Amanitin; ?-Amanitin 	C39H53N9O14S	903.343268	NA	MeJP	NA	NA
+PJ073536	GSSSSMYW 	C39H53N9O14S	903.3433	NA	PeJP	NA	NA
+PJ073537	CCDDHRR 	C32H53N15O12S2	903.344	NA	PeJP	NA	NA
+PJ073538	ACCKMYW 	C40H57N9O9S3	903.3442	NA	PeJP	NA	NA
+PJ073539	GSSSSSTEY 	C35H53N9O19	903.3458	NA	PeJP	NA	NA
+PJ073540	GSSTQMMY 	C36H57N9O14S2	903.3467	NA	PeJP	NA	NA
+PJ073541	NNNNNEW 	C36H49N13O15	903.3471	NA	PeJP	NA	NA
+PJ073542	GGGGNNNEW 	C36H49N13O15	903.3472	NA	PeJP	NA	NA
+PJ073543	EEMFYW 	C44H53N7O12S	903.3473	NA	PeJP	NA	NA
+PJ073544	CNKMMMF 	C37H61N9O9S4	903.3475	NA	PeJP	NA	NA
+PJ073545	GGCKMMMF 	C37H61N9O9S4	903.3476	NA	PeJP	NA	NA
+PJ073546	GCDMHRW 	C37H53N13O10S2	903.348	NA	PeJP	NA	NA
+PJ073547	SCHWWW 	C45H49N11O8S	903.3487	NA	PeJP	NA	NA
+PJ073548	ATEEEYY 	C40H53N7O17	903.3498	NA	PeJP	NA	NA
+PJ073549	GSSDDMHR 	C33H53N13O15S	903.3505	NA	PeJP	NA	NA
+PJ073550	GGGGGGGGGGSPM 	C33H53N13O15S	903.3506	NA	PeJP	NA	NA
+PJ073551	APEMMYY 	C41H57N7O12S2	903.3507	NA	PeJP	NA	NA
+PJ073552	SSSDHWW 	C41H49N11O13	903.3512	NA	PeJP	NA	NA
+PJ073553	TCCCRRY 	C34H57N13O10S3	903.3514	NA	PeJP	NA	NA
+PJ073554	NMMHWW 	C42H53N11O8S2	903.352	NA	PeJP	NA	NA
+PJ073555	SLEMMMY 	C38H61N7O12S3	903.3541	NA	PeJP	NA	NA
+PJ073556	SSQEMHW 	C38H53N11O13S	903.3545	NA	PeJP	NA	NA
+PJ073557	GGGGPNEMW 	C38H53N11O13S	903.3546	NA	PeJP	NA	NA
+PJ073558	PDDWWW 	C46H49N9O11	903.3552	NA	PeJP	NA	NA
+PJ073559	PCCKMHW 	C39H57N11O8S3	903.3554	NA	PeJP	NA	NA
+PJ073560	GCQHHHW 	C39H49N15O9S	903.3559	NA	PeJP	NA	NA
+PJ073561	SSSTQEEH 	C34H53N11O18	903.357	NA	PeJP	NA	NA
+PJ073562	GSPDDEER 	C34H53N11O18	903.3571	NA	PeJP	NA	NA
+PJ073563	GSSTCMRY 	C35H57N11O13S2	903.3579	NA	PeJP	NA	NA
+PJ073564	GSSNEHHH 	C35H49N15O14	903.3584	NA	PeJP	NA	NA
+PJ073565	NQMYYW 	C43H53N9O11S	903.3585	NA	PeJP	NA	NA
+PJ073566	SPPCEWW 	C43H53N9O11S	903.3586	NA	PeJP	NA	NA
+PJ073567	SSSSSTYW 	C39H53N9O16	903.361	NA	PeJP	NA	NA
+PJ073568	SPQEEEW 	C39H53N9O16	903.3611	NA	PeJP	NA	NA
+PJ073569	SSSCNNHR 	C32H53N15O14S	903.3617	NA	PeJP	NA	NA
+PJ073570	GGSSSCNHR 	C32H53N15O14S	903.3618	NA	PeJP	NA	NA
+PJ073571	SSCKMYW 	C40H57N9O11S2	903.3619	NA	PeJP	NA	NA
+PJ073572	GNNNNWW 	C40H49N13O12	903.3624	NA	PeJP	NA	NA
+PJ073573	SSSSDKMY 	C36H57N9O16S	903.3644	NA	PeJP	NA	NA
+PJ073574	GGGPVEEEM 	C36H57N9O16S	903.3645	NA	PeJP	NA	NA
+PJ073575	SPPDYYY 	C44H53N7O14	903.3651	NA	PeJP	NA	NA
+PJ073576	SNKMMMY 	C37H61N9O11S3	903.3653	NA	PeJP	NA	NA
+PJ073577	SSCEHRW 	C37H53N13O12S	903.3658	NA	PeJP	NA	NA
+PJ073578	PPCMFFY 	C45H57N7O9S2	903.366	NA	PeJP	NA	NA
+PJ073579	NDHFWW 	C45H49N11O10	903.3664	NA	PeJP	NA	NA
+PJ073580	PCHHHHH 	C38H49N17O8S	903.3671	NA	PeJP	NA	NA
+PJ073581	SSSSDEHR 	C33H53N13O17	903.3683	NA	PeJP	NA	NA
+PJ073582	PTTEMYY 	C41H57N7O14S	903.3684	NA	PeJP	NA	NA
+PJ073583	GLEEMYY 	C41H57N7O14S	903.3685	NA	PeJP	NA	NA
+PJ073584	SNEMMHR 	C34H57N13O12S2	903.3691	NA	PeJP	NA	NA
+PJ073585	GGSEMMHR 	C34H57N13O12S2	903.3692	NA	PeJP	NA	NA
+PJ073586	PCLMMFY 	C42H61N7O9S3	903.3693	NA	PeJP	NA	NA
+PJ073587	GSTMHWW 	C42H53N11O10S	903.3698	NA	PeJP	NA	NA
+PJ073588	SPDDERW 	C38H53N11O15	903.3723	NA	PeJP	NA	NA
+PJ073589	VVMMMMY 	C39H65N7O9S4	903.3727	NA	PeJP	NA	NA
+PJ073590	PPCDMRW 	C39H57N11O10S2	903.3732	NA	PeJP	NA	NA
+PJ073591	SSNHHHW 	C39H49N15O11	903.3736	NA	PeJP	NA	NA
+PJ073592	GCHFFFF 	C47H53N9O8S	903.3738	NA	PeJP	NA	NA
+PJ073593	SSSSSMRY 	C35H57N11O15S	903.3757	NA	PeJP	NA	NA
+PJ073594	GPTEEWW 	C43H53N9O13	903.3763	NA	PeJP	NA	NA
+PJ073595	TCCKMRY 	C36H61N11O10S3	903.3765	NA	PeJP	NA	NA
+PJ073596	GGGALMMMH 	C36H61N11O10S3	903.3766	NA	PeJP	NA	NA
+PJ073597	CNNNHFR 	C36H53N15O11S	903.377	NA	PeJP	NA	NA
+PJ073598	GPPMMWW 	C44H57N9O8S2	903.3772	NA	PeJP	NA	NA
+PJ073599	NNDDDRR 	C32H53N15O16	903.3795	NA	PeJP	NA	NA
+PJ073600	PVNEEMW 	C40H57N9O13S	903.3797	NA	PeJP	NA	NA
+PJ073601	PEFYYW 	C48H53N7O11	903.3803	NA	PeJP	NA	NA
+PJ073602	SCDMHRR 	C33H57N15O11S2	903.3804	NA	PeJP	NA	NA
+PJ073603	PPCQHHW 	C41H53N13O9S	903.381	NA	PeJP	NA	NA
+PJ073604	SSSSSSSLY 	C36H57N9O18	903.3822	NA	PeJP	NA	NA
+PJ073605	GSSTKMMY 	C37H61N9O13S2	903.3831	NA	PeJP	NA	NA
+PJ073606	GNNEERW 	C37H53N13O14	903.3835	NA	PeJP	NA	NA
+PJ073607	GGGGGGNDKW 	C37H53N13O14	903.3836	NA	PeJP	NA	NA
+PJ073608	LEMYYW 	C45H57N7O11S	903.3837	NA	PeJP	NA	NA
+PJ073609	GSMMHRW 	C38H57N13O9S2	903.3844	NA	PeJP	NA	NA
+PJ073610	AEHHHHH 	C38H49N17O10	903.3849	NA	PeJP	NA	NA
+PJ073611	MHHFFW 	C46H53N11O7S	903.3851	NA	PeJP	NA	NA
+PJ073612	STLEEYY 	C41H57N7O16	903.3862	NA	PeJP	NA	NA
+PJ073613	PDDDMRR 	C34H57N13O14S	903.3869	NA	PeJP	NA	NA
+PJ073614	SPLMMYY 	C42H61N7O11S2	903.3871	NA	PeJP	NA	NA
+PJ073615	SSTTHWW 	C42H53N11O12	903.3875	NA	PeJP	NA	NA
+PJ073616	GAQQEWW 	C42H53N11O12	903.3876	NA	PeJP	NA	NA
+PJ073617	AQMMMHR 	C35H61N13O9S3	903.3878	NA	PeJP	NA	NA
+PJ073618	SCQHHHR 	C35H53N17O10S	903.3882	NA	PeJP	NA	NA
+PJ073619	GGTCHHHR 	C35H53N17O10S	903.3883	NA	PeJP	NA	NA
+PJ073620	GPEEMRW 	C39H57N11O12S	903.3909	NA	PeJP	NA	NA
+PJ073621	GGGGGGAPPMF 	C39H57N11O12S	903.391	NA	PeJP	NA	NA
+PJ073622	PTEWWW 	C47H53N9O10	903.3916	NA	PeJP	NA	NA
+PJ073623	GCKHHHW 	C40H53N15O8S	903.3923	NA	PeJP	NA	NA
+PJ073624	VNEEEER 	C35H57N11O17	903.3934	NA	PeJP	NA	NA
+PJ073625	GGGGAAKEEE 	C35H57N11O17	903.3935	NA	PeJP	NA	NA
+PJ073626	GSPPEMMR 	C36H61N11O12S2	903.3943	NA	PeJP	NA	NA
+PJ073627	SNNNNRW 	C36H53N15O13	903.3948	NA	PeJP	NA	NA
+PJ073628	APVDMWW 	C44H57N9O10S	903.3949	NA	PeJP	NA	NA
+PJ073629	GPVEMWW 	C44H57N9O10S	903.395	NA	PeJP	NA	NA
+PJ073630	ALQEEEW 	C40H57N9O15	903.3974	NA	PeJP	NA	NA
+PJ073631	SPKEEEW 	C40H57N9O15	903.3975	NA	PeJP	NA	NA
+PJ073632	GSPCNDRR 	C33H57N15O13S	903.3981	NA	PeJP	NA	NA
+PJ073633	GGGGGGQQMR 	C33H57N15O13S	903.3982	NA	PeJP	NA	NA
+PJ073634	PPDKMMW 	C41H61N9O10S2	903.3983	NA	PeJP	NA	NA
+PJ073635	NNERWW 	C41H53N13O11	903.3988	NA	PeJP	NA	NA
+PJ073636	ACMMHRR 	C34H61N15O8S3	903.399	NA	PeJP	NA	NA
+PJ073637	SSSTTKMY 	C37H61N9O15S	903.4008	NA	PeJP	NA	NA
+PJ073638	GPLEYYY 	C45H57N7O13	903.4015	NA	PeJP	NA	NA
+PJ073639	TCKKMMY 	C38H65N9O10S3	903.4017	NA	PeJP	NA	NA
+PJ073640	SSTMHRW 	C38H57N13O11S	903.4021	NA	PeJP	NA	NA
+PJ073641	GGSPNMRW 	C38H57N13O11S	903.4022	NA	PeJP	NA	NA
+PJ073642	PCLMFFF 	C46H61N7O8S2	903.4023	NA	PeJP	NA	NA
+PJ073643	AQQWWW 	C46H53N11O9	903.4028	NA	PeJP	NA	NA
+PJ073644	ASSSSSNKH 	C34H57N13O16	903.4046	NA	PeJP	NA	NA
+PJ073645	GEEEERR 	C34H57N13O16	903.4047	NA	PeJP	NA	NA
+PJ073646	SVLEMYY 	C42H61N7O13S	903.4048	NA	PeJP	NA	NA
+PJ073647	SDKMMHR 	C35H61N13O11S2	903.4055	NA	PeJP	NA	NA
+PJ073648	GGGGAAPMMR 	C35H61N13O11S2	903.4056	NA	PeJP	NA	NA
+PJ073649	VVMMMFF 	C43H65N7O8S3	903.4057	NA	PeJP	NA	NA
+PJ073650	GSSSHHHR 	C35H53N17O12	903.406	NA	PeJP	NA	NA
+PJ073651	PEMRWW 	C43H57N11O9S	903.4062	NA	PeJP	NA	NA
+PJ073652	GVEEERW 	C39H57N11O14	903.4087	NA	PeJP	NA	NA
+PJ073653	CNNNQRR 	C32H57N17O12S	903.4094	NA	PeJP	NA	NA
+PJ073654	SPPMMRW 	C40H61N11O9S2	903.4095	NA	PeJP	NA	NA
+PJ073655	GCKMFRY 	C40H61N11O9S2	903.4096	NA	PeJP	NA	NA
+PJ073656	GPDHHRW 	C40H53N15O10	903.41	NA	PeJP	NA	NA
+PJ073657	PVMWWW 	C48H57N9O7S	903.4102	NA	PeJP	NA	NA
+PJ073658	SSTTLQMH 	C36H61N11O14S	903.412	NA	PeJP	NA	NA
+PJ073659	PDKEEMR 	C36H61N11O14S	903.4121	NA	PeJP	NA	NA
+PJ073660	AALEEWW 	C44H57N9O12	903.4127	NA	PeJP	NA	NA
+PJ073661	AAPPMMMR 	C37H65N11O9S3	903.4129	NA	PeJP	NA	NA
+PJ073662	GCEHFRR 	C37H57N15O10S	903.4134	NA	PeJP	NA	NA
+PJ073663	GNRWWW 	C45H53N13O8	903.414	NA	PeJP	NA	NA
+PJ073664	GGGRWWW 	C45H53N13O8	903.4141	NA	PeJP	NA	NA
+PJ073665	SNNEERR 	C33H57N15O15	903.4159	NA	PeJP	NA	NA
+PJ073666	PVDKEMW 	C41H61N9O12S	903.4161	NA	PeJP	NA	NA
+PJ073667	PLYYYW 	C49H57N7O10	903.4167	NA	PeJP	NA	NA
+PJ073668	SSMMHRR 	C34H61N15O10S2	903.4168	NA	PeJP	NA	NA
+PJ073669	QMHFRW 	C42H57N13O8S	903.4174	NA	PeJP	NA	NA
+PJ073670	LQKEEEE 	C37H61N9O17	903.4186	NA	PeJP	NA	NA
+PJ073671	SPPTLQMM 	C38H65N9O12S2	903.4194	NA	PeJP	NA	NA
+PJ073672	APPTKEMM 	C38H65N9O12S2	903.4195	NA	PeJP	NA	NA
+PJ073673	EEERRW 	C38H57N13O13	903.4199	NA	PeJP	NA	NA
+PJ073674	GGGGGGGGGPKF 	C38H57N13O13	903.42	NA	PeJP	NA	NA
+PJ073675	APLMFYY 	C46H61N7O10S	903.4201	NA	PeJP	NA	NA
+PJ073676	VLMMHHH 	C39H61N13O8S2	903.4208	NA	PeJP	NA	NA
+PJ073677	GNHHHFR 	C39H53N17O9	903.4213	NA	PeJP	NA	NA
+PJ073678	SPEEMRR 	C35H61N13O13S	903.4233	NA	PeJP	NA	NA
+PJ073679	ALLMMYY 	C43H65N7O10S2	903.4235	NA	PeJP	NA	NA
+PJ073680	VEERWW 	C43H57N11O11	903.4239	NA	PeJP	NA	NA
+PJ073681	GGAAKEWW 	C43H57N11O11	903.424	NA	PeJP	NA	NA
+PJ073682	AKMMMHR 	C36H65N13O8S3	903.4242	NA	PeJP	NA	NA
+PJ073683	SCKHHHR 	C36H57N17O9S	903.4246	NA	PeJP	NA	NA
+MJ097357	Wedeloside; 4'-O-L-Rhamnopyranosyl 	C46H65NO17	903.425249	NA	MeJP	NA	NA
+PJ073684	GSSNNNRR 	C32H57N17O14	903.4271	NA	PeJP	NA	NA
+PJ073685	GGGGGGGSSRR 	C32H57N17O14	903.4272	NA	PeJP	NA	NA
+PJ073686	SPVEMRW 	C40H61N11O11S	903.4273	NA	PeJP	NA	NA
+PJ073687	VVEWWW 	C48H57N9O9	903.428	NA	PeJP	NA	NA
+PJ073688	CHFRRW 	C41H57N15O7S	903.4287	NA	PeJP	NA	NA
+PJ073689	VDKEEER 	C36H61N11O16	903.4298	NA	PeJP	NA	NA
+MJ097358	Sperm activating peptide; Sperm activating peptide C 	C37H65N11O11S2	903.430643	NA	MeJP	NA	NA
+PJ073690	PLQEMMR 	C37H65N11O11S2	903.4307	NA	PeJP	NA	NA
+PJ073691	ASDHRRY 	C37H57N15O12	903.4311	NA	PeJP	NA	NA
+PJ073692	GSNERRW 	C37H57N15O12	903.4312	NA	PeJP	NA	NA
+PJ073693	APTLMWW 	C45H61N9O9S	903.4313	NA	PeJP	NA	NA
+PJ073694	ALKEEEW 	C41H61N9O14	903.4338	NA	PeJP	NA	NA
+PJ073695	GGGPLLDEF 	C41H61N9O14	903.4339	NA	PeJP	NA	NA
+PJ073696	GQQEMRR 	C34H61N15O12S	903.4345	NA	PeJP	NA	NA
+PJ073697	GGGGGGGAKMR 	C34H61N15O12S	903.4346	NA	PeJP	NA	NA
+PJ073698	PVLQMMW 	C42H65N9O9S2	903.4347	NA	PeJP	NA	NA
+PJ073699	NDKRWW 	C42H57N13O10	903.4352	NA	PeJP	NA	NA
+PJ073700	GPTLKEEM 	C38H65N9O14S	903.4372	NA	PeJP	NA	NA
+PJ073701	SPVLYYY 	C46H61N7O12	903.4378	NA	PeJP	NA	NA
+MJ097359	Dolastatin 13; 14,15-Didehydro 	C46H61N7O12	903.43782	NA	MeJP	NA	NA
+PJ073702	GLLEFYY 	C46H61N7O12	903.4379	NA	PeJP	NA	NA
+PJ073703	GPPLKMMM 	C39H69N9O9S3	903.4381	NA	PeJP	NA	NA
+PJ073704	GVQQMRW 	C39H61N13O10S	903.4385	NA	PeJP	NA	NA
+PJ073705	GGGLQMRW 	C39H61N13O10S	903.4386	NA	PeJP	NA	NA
+PJ073706	AQKWWW 	C47H57N11O8	903.4392	NA	PeJP	NA	NA
+PJ073707	SVEEERR 	C35H61N13O15	903.441	NA	PeJP	NA	NA
+PJ073708	AASNKEER 	C35H61N13O15	903.4411	NA	PeJP	NA	NA
+PJ073709	TTLLMYY 	C43H65N7O12S	903.4412	NA	PeJP	NA	NA
+PJ073710	PVDMMRR 	C36H65N13O10S2	903.4419	NA	PeJP	NA	NA
+PJ073711	SPDHHRR 	C36H57N17O11	903.4424	NA	PeJP	NA	NA
+PJ073712	GPCKKWW 	C44H61N11O8S	903.4426	NA	PeJP	NA	NA
+PJ073713	ATLEERW 	C40H61N11O13	903.4451	NA	PeJP	NA	NA
+PJ073714	GNDMRRR 	C33H61N17O11S	903.4458	NA	PeJP	NA	NA
+PJ073715	APLMMRW 	C41H65N11O8S2	903.4459	NA	PeJP	NA	NA
+PJ073716	SNRRWW 	C41H57N15O9	903.4464	NA	PeJP	NA	NA
+PJ073717	VLQEEMR 	C37H65N11O13S	903.4484	NA	PeJP	NA	NA
+PJ073718	GGLLEEMR 	C37H65N11O13S	903.4485	NA	PeJP	NA	NA
+PJ073719	GTLLEWW 	C45H61N9O11	903.4491	NA	PeJP	NA	NA
+PJ073720	VKKMMMH 	C38H69N11O8S3	903.4493	NA	PeJP	NA	NA
+PJ073721	QQMRRW 	C38H61N15O9S	903.4498	NA	PeJP	NA	NA
+PJ073722	SNDKERR 	C34H61N15O14	903.4523	NA	PeJP	NA	NA
+PJ073723	ATKKMYY 	C42H65N9O11S	903.4524	NA	PeJP	NA	NA
+PJ073724	PTLKEMW 	C42H65N9O11S	903.4525	NA	PeJP	NA	NA
+PJ073725	LLFYYW 	C50H61N7O9	903.4531	NA	PeJP	NA	NA
+PJ073726	PCNKMRR 	C35H65N15O9S2	903.4532	NA	PeJP	NA	NA
+PJ073727	GNQHHRR 	C35H57N19O10	903.4536	NA	PeJP	NA	NA
+PJ073728	KMHFRW 	C43H61N13O7S	903.4538	NA	PeJP	NA	NA
+PJ073729	LKKEEEE 	C38H65N9O16	903.455	NA	PeJP	NA	NA
+PJ073730	GPVLKEMM 	C39H69N9O11S2	903.4558	NA	PeJP	NA	NA
+PJ073731	GTQKERW 	C39H61N13O12	903.4563	NA	PeJP	NA	NA
+PJ073732	ALLMFFY 	C47H65N7O9S	903.4565	NA	PeJP	NA	NA
+PJ073733	ALEEMRR 	C36H65N13O12S	903.4597	NA	PeJP	NA	NA
+MJ097360	9-Desarginylbradykinin 	C44H61N11O10	903.460287	NA	MeJP	NA	NA
+PJ073734	QKKEWW 	C44H61N11O10	903.4603	NA	PeJP	NA	NA
+PJ073735	CQRRRW 	C37H61N17O8S	903.461	NA	PeJP	NA	NA
+PJ073736	SSNERRR 	C33H61N17O13	903.4635	NA	PeJP	NA	NA
+PJ073737	GLLEMRW 	C41H65N11O10S	903.4637	NA	PeJP	NA	NA
+PJ073738	TLLWWW 	C49H61N9O8	903.4643	NA	PeJP	NA	NA
+MJ097361	N-Benzoyl-L-alanyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl-L-norleucinamide 	C49H61N9O8	903.464309	NA	MeJP	NA	NA
+PJ073739	GPVLFWW 	C49H61N9O8	903.4644	NA	PeJP	NA	NA
+PJ073740	TLKEEER 	C37H65N11O15	903.4662	NA	PeJP	NA	NA
+PJ073741	PLKEMMR 	C38H69N11O10S2	903.4671	NA	PeJP	NA	NA
+PJ073742	GSDKRRW 	C38H61N15O11	903.4675	NA	PeJP	NA	NA
+PJ073743	GGGAAPRRY 	C38H61N15O11	903.4676	NA	PeJP	NA	NA
+PJ073744	GVLLMWW 	C46H65N9O8S	903.4677	NA	PeJP	NA	NA
+PJ073745	SLLKEEW 	C42H65N9O13	903.4702	NA	PeJP	NA	NA
+PJ073746	GQKEMRR 	C35H65N15O11S	903.4709	NA	PeJP	NA	NA
+PJ073747	PVLKMMW 	C43H69N9O8S2	903.4711	NA	PeJP	NA	NA
+PJ073748	TQKRWW 	C43H61N13O9	903.4716	NA	PeJP	NA	NA
+PJ073749	AALLKEEM 	C39H69N9O13S	903.4736	NA	PeJP	NA	NA
+PJ073750	GLLLYYY 	C47H65N7O11	903.4742	NA	PeJP	NA	NA
+PJ073751	GVQKMRW 	C40H65N13O9S	903.4749	NA	PeJP	NA	NA
+PJ073752	AKKWWW 	C48H61N11O7	903.4756	NA	PeJP	NA	NA
+PJ073753	TTLEERR 	C36H65N13O14	903.4774	NA	PeJP	NA	NA
+PJ073754	GGGGGSKKKE 	C36H65N13O14	903.4775	NA	PeJP	NA	NA
+PJ073755	PTLMMRR 	C37H69N13O9S2	903.4783	NA	PeJP	NA	NA
+PJ073756	GSSRRRW 	C37H61N17O10	903.4788	NA	PeJP	NA	NA
+PJ073757	LLMRWW 	C45H65N11O7S	903.479	NA	PeJP	NA	NA
+PJ073758	STLLERW 	C41H65N11O12	903.4814	NA	PeJP	NA	NA
+PJ073759	TTLLDRW 	C41H65N11O12	903.4815	NA	PeJP	NA	NA
+PJ073760	GTQMRRR 	C34H65N17O10S	903.4821	NA	PeJP	NA	NA
+PJ073761	GGATMRRR 	C34H65N17O10S	903.4822	NA	PeJP	NA	NA
+PJ073762	GVLHHRW 	C42H61N15O8	903.4828	NA	PeJP	NA	NA
+PJ073763	VLKEEMR 	C38H69N11O12S	903.4848	NA	PeJP	NA	NA
+PJ073764	SSLLLWW 	C46H65N9O10	903.4855	NA	PeJP	NA	NA
+PJ073765	QKMRRW 	C39H65N15O8S	903.4862	NA	PeJP	NA	NA
+PJ073766	STQKERR 	C35H65N15O13	903.4887	NA	PeJP	NA	NA
+PJ073767	TLLLQMW 	C43H69N9O10S	903.4888	NA	PeJP	NA	NA
+PJ073768	VVLKEMW 	C43H69N9O10S	903.4889	NA	PeJP	NA	NA
+PJ073769	ALLFFFF 	C51H65N7O8	903.4895	NA	PeJP	NA	NA
+PJ073770	GNKHHRR 	C36H61N19O9	903.49	NA	PeJP	NA	NA
+PJ073771	SSVLLKEE 	C39H69N9O15	903.4913	NA	PeJP	NA	NA
+PJ073772	ATTLLKEE 	C39H69N9O15	903.4914	NA	PeJP	NA	NA
+PJ073773	APTLLKMM 	C40H73N9O10S2	903.4922	NA	PeJP	NA	NA
+PJ073774	GTKKERW 	C40H65N13O11	903.4927	NA	PeJP	NA	NA
+PJ073775	GTCRRRR 	C33H65N19O9S	903.4934	NA	PeJP	NA	NA
+PJ073776	LHHRRW 	C41H61N17O7	903.494	NA	PeJP	NA	NA
+PJ073777	SLLEMRR 	C37H69N13O11S	903.4961	NA	PeJP	NA	NA
+PJ073778	KKKEWW 	C45H65N11O9	903.4967	NA	PeJP	NA	NA
+PJ073779	CKRRRW 	C38H65N17O7S	903.4974	NA	PeJP	NA	NA
+PJ073780	SSDKRRR 	C34H65N17O12	903.4999	NA	PeJP	NA	NA
+PJ073781	SVLLMRW 	C42H69N11O9S	903.5001	NA	PeJP	NA	NA
+PJ073782	SSSLLLER 	C38H69N11O14	903.5026	NA	PeJP	NA	NA
+PJ073783	LLLQMMR 	C39H73N11O9S2	903.5035	NA	PeJP	NA	NA
+PJ073784	GTTKRRW 	C39H65N15O10	903.5039	NA	PeJP	NA	NA
+PJ073785	GTTTLLLW 	C43H69N9O12	903.5066	NA	PeJP	NA	NA
+PJ073786	GKKEMRR 	C36H69N15O10S	903.5073	NA	PeJP	NA	NA
+PJ073787	TKKRWW 	C44H65N13O8	903.5079	NA	PeJP	NA	NA
+PJ073788	PPVLHRW 	C44H65N13O8	903.508	NA	PeJP	NA	NA
+PJ073789	GTLLLKEM 	C40H73N9O12S	903.51	NA	PeJP	NA	NA
+PJ073790	SSSRRRR 	C33H65N19O11	903.5111	NA	PeJP	NA	NA
+PJ073791	GVKKMRW 	C41H69N13O8S	903.5113	NA	PeJP	NA	NA
+PJ073792	SKKKEER 	C37H69N13O13	903.5138	NA	PeJP	NA	NA
+PJ073793	VVLMMRR 	C38H73N13O8S2	903.5147	NA	PeJP	NA	NA
+PJ073794	AAQFRRR 	C38H65N17O9	903.5152	NA	PeJP	NA	NA
+MJ097362	Patellazole A; 36-Hydroxy 	C49H77NO12S	903.516647	NA	MeJP	NA	NA
+PJ073795	SVKKKEW 	C42H69N11O11	903.5178	NA	PeJP	NA	NA
+PJ073796	GGAAPLKKY 	C42H69N11O11	903.5179	NA	PeJP	NA	NA
+PJ073797	GTKMRRR 	C35H69N17O9S	903.5185	NA	PeJP	NA	NA
+MJ097363	Tylosin; 20-Alcohol, 3C-O-de-Me 	C45H77NO17	903.51915	NA	MeJP	NA	NA
+PJ073798	GTTLLLMR 	C39H73N11O11S	903.5212	NA	PeJP	NA	NA
+MJ097364	Hymenamide H 	C47H69N9O9	903.521824	NA	MeJP	NA	NA
+MJ097365	Phakellistatin 10 	C47H69N9O9	903.521824	NA	MeJP	NA	NA
+PJ073799	PVVLKYW 	C47H69N9O9	903.5219	NA	PeJP	NA	NA
+PJ073800	KKMRRW 	C40H69N15O7S	903.5226	NA	PeJP	NA	NA
+PJ073801	ASSSLKRR 	C36H69N15O12	903.525	NA	PeJP	NA	NA
+PJ073802	STKKERR 	C36H69N15O12	903.5251	NA	PeJP	NA	NA
+PJ073803	TLLLKMW 	C44H73N9O9S	903.5252	NA	PeJP	NA	NA
+PJ073804	NFRRRR 	C37H65N19O8	903.5264	NA	PeJP	NA	NA
+PJ073805	STTLLLKE 	C40H73N9O14	903.5277	NA	PeJP	NA	NA
+PJ073806	GVLLLKMM 	C41H77N9O9S2	903.5286	NA	PeJP	NA	NA
+PJ073807	SSLKKRW 	C41H69N13O10	903.5291	NA	PeJP	NA	NA
+PJ073808	TLQKKMR 	C38H73N13O10S	903.5324	NA	PeJP	NA	NA
+PJ073809	VDKKKMR 	C38H73N13O10S	903.5325	NA	PeJP	NA	NA
+PJ073810	GLLLFRW 	C46H69N11O8	903.5331	NA	PeJP	NA	NA
+PJ073811	STTKRRR 	C35H69N17O11	903.5363	NA	PeJP	NA	NA
+PJ073812	ALKKKMW 	C43H73N11O8S	903.5365	NA	PeJP	NA	NA
+PJ073813	STTTLLLR 	C39H73N11O13	903.539	NA	PeJP	NA	NA
+PJ073814	LLLKMMR 	C40H77N11O8S2	903.5398	NA	PeJP	NA	NA
+MJ097366	Moldcidin A 	C42H81NO19	903.540279	NA	MeJP	NA	NA
+PJ073815	GPKKRRY 	C40H69N15O9	903.5403	NA	PeJP	NA	NA
+MJ097367	Antibiotic KT 6291; Antibiotic KT 6291B 	C44H73N9O11	903.542954	NA	MeJP	NA	NA
+PJ073816	GPTLLLKY 	C44H73N9O11	903.543	NA	PeJP	NA	NA
+PJ073817	SVKKMRR 	C37H73N15O9S	903.5437	NA	PeJP	NA	NA
+PJ073818	SSLLLLKM 	C41H77N9O11S	903.5464	NA	PeJP	NA	NA
+PJ073819	GTTTLKKR 	C38H73N13O12	903.5502	NA	PeJP	NA	NA
+PJ073820	AKKKHHR 	C39H69N17O8	903.5515	NA	PeJP	NA	NA
+PJ073821	AAKFRRR 	C39H69N17O8	903.5516	NA	PeJP	NA	NA
+PJ073822	TTLKKKW 	C43H73N11O10	903.5542	NA	PeJP	NA	NA
+PJ073823	LKKKKEM 	C40H77N11O10S	903.5576	NA	PeJP	NA	NA
+PJ073824	VVLLKFW 	C48H73N9O8	903.5582	NA	PeJP	NA	NA
+PJ073825	ALLLRRY 	C42H73N13O9	903.5655	NA	PeJP	NA	NA
+PJ073826	TLKKKMR 	C39H77N13O9S	903.5688	NA	PeJP	NA	NA
+PJ073827	SSTLLKKK 	C40H77N11O12	903.5753	NA	PeJP	NA	NA
+PJ073828	SSTILKKK 	C40H77N11O12	903.5754	NA	PeJP	NA	NA
+PJ073829	GLKKFRR 	C41H73N15O8	903.5767	NA	PeJP	NA	NA
+PJ073830	AALLLLKY 	C45H77N9O10	903.5794	NA	PeJP	NA	NA
+PJ073831	GSTKKKKK 	C39H77N13O11	903.5866	NA	PeJP	NA	NA
+PJ073832	VLLLKRY 	C44H77N11O9	903.5906	NA	PeJP	NA	NA
+PJ073833	VVKKKFR 	C43H77N13O8	903.6018	NA	PeJP	NA	NA
+PJ073834	LLKKKKF 	C45H81N11O8	903.627	NA	PeJP	NA	NA
+2889	NA	FGGFTGARKSARKLANQ	903.98195	MH2+	Inhouse_peptide	NA	peptide
+7857	NA	FGGFTGARKSARKLANQ	903.98195	MH2+	Inhouse_peptide	NA	peptide
+MJ097368	Acutissimin C 	C42H32O23	904.133437	NA	MeJP	NA	NA
+MetaCyc04281	2-amino-5-oxocyclohex-1-enecarboxyl-CoA []	C28H43N8O18P3S1	904.162887	NA	metacyc	NA	NA
+C05165	2-Amino-5-oxocyclohex-1-enecarbonyl-CoA	C28H43N8O18P3S	904.1629	NA	KEGG	NA	NA
+C05167	alpha-Amino acid	C2H4NO2R	904.1629	NA	KEGG	NA	NA
+C05169	Protein aspartate	C5H6N2O4R2	904.1629	NA	KEGG	NA	NA
+PJ073835	CCCCCCMH 	C29H48N10O9S7	904.1651	NA	PeJP	NA	NA
+PJ073836	CCCCDDDE 	C29H44N8O17S4	904.1708	NA	PeJP	NA	NA
+PJ073837	GPCCCCCCN 	C29H48N10O11S6	904.1829	NA	PeJP	NA	NA
+MJ097369	Arachnitannin 1; 3',3'',3'''-Trihydroxy 	C47H36O19	904.185078	NA	MeJP	NA	NA
+PJ073838	CCCCNNDM 	C29H48N10O13S5	904.2006	NA	PeJP	NA	NA
+PJ073839	SCCCDDEM 	C30H48N8O16S4	904.2072	NA	PeJP	NA	NA
+PJ073840	PCCCCDMM 	C31H52N8O11S6	904.208	NA	PeJP	NA	NA
+PJ073841	GCCCCCQW 	C33H48N10O10S5	904.2159	NA	PeJP	NA	NA
+PJ073842	GSSCCCCNE 	C29H48N10O15S4	904.2184	NA	PeJP	NA	NA
+PJ073843	GCCDDDDY 	C33H44N8O18S2	904.2215	NA	PeJP	NA	NA
+PJ073844	PCCCCDDF 	C34H48N8O13S4	904.2224	NA	PeJP	NA	NA
+PJ073845	GCCDDMMM 	C31H52N8O13S5	904.2258	NA	PeJP	NA	NA
+PJ073846	PCCCCCHH 	C32H48N12O9S5	904.2271	NA	PeJP	NA	NA
+FL5FACGL0070	Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside	C41H44O23	904.22733	162556-37-8	knapsack	NA	NA
+FL5FACGS0115	Calabricoside B;Quercetin 3-(4'''-caffeoylrhamnosyl)-(1->2)-alpha-L-arabinopyranoside-7-glucoside;3-[[2-O-[6-Deoxy-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]-alpha-L-arabinopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	C41H44O23	904.22733	356518-10-0	knapsack	NA	NA
+MJ097370	Quercimeritrin; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C41H44O23	904.227337	NA	MeJP	NA	NA
+PJ073847	SSCCCCNW 	C33H48N10O12S4	904.2336	NA	PeJP	NA	NA
+PJ073848	SSSSCCCND 	C29H48N10O17S3	904.2361	NA	PeJP	NA	NA
+PJ073849	SCCCNNMM 	C30H52N10O12S5	904.237	NA	PeJP	NA	NA
+PJ073850	SPCCCDDY 	C34H48N8O15S3	904.2402	NA	PeJP	NA	NA
+PJ073851	CCCEMMW 	C35H52N8O10S5	904.241	NA	PeJP	NA	NA
+PJ073852	SSCCDEMM 	C31H52N8O15S4	904.2435	NA	PeJP	NA	NA
+PJ073853	SPCCCMMM 	C32H56N8O10S6	904.2444	NA	PeJP	NA	NA
+PJ073854	GCCCDMHH 	C32H48N12O11S4	904.2449	NA	PeJP	NA	NA
+PJ073855	SCCCCCQR 	C29H52N12O11S5	904.2482	NA	PeJP	NA	NA
+PJ073856	GGTCCCCCR 	C29H52N12O11S5	904.2483	NA	PeJP	NA	NA
+MJ097371	Rutin; 7-O-[Xylosyl-(1??)-glucoside] 	C38H48O25	904.248467	NA	MeJP	NA	NA
+PJ073857	GCDDDDEH 	C32H44N10O19S	904.2505	NA	PeJP	NA	NA
+PJ073858	GCCCNNEY 	C33H48N10O14S3	904.2514	NA	PeJP	NA	NA
+MJ097372	Davidiol C 	C56H40O12	904.251976	NA	MeJP	NA	NA
+MJ097373	Kobophenol B 	C56H40O12	904.251976	NA	MeJP	NA	NA
+MJ097374	Miyabenol B 	C56H40O12	904.251976	NA	MeJP	NA	NA
+MJ097375	Stenophyllol A 	C56H40O12	904.251976	NA	MeJP	NA	NA
+MJ097376	Vitisin A; 7''',8'''-Didehydro 	C56H40O12	904.251976	NA	MeJP	NA	NA
+MJ097377	Vitisin B; 2''',3'''-Didehydro 	C56H40O12	904.251976	NA	MeJP	NA	NA
+PJ073859	GCCCCCKW 	C34H52N10O9S5	904.2523	NA	PeJP	NA	NA
+PJ073860	GSSSCCCQM 	C30H52N10O14S4	904.2548	NA	PeJP	NA	NA
+PJ073861	CCCDEFW 	C38H48N8O12S3	904.2554	NA	PeJP	NA	NA
+PJ073862	GSCDDDMY 	C34H48N8O17S2	904.2579	NA	PeJP	NA	NA
+PJ073863	GPCCCEMY 	C35H52N8O12S4	904.2588	NA	PeJP	NA	NA
+PJ073864	GSCDMMMM 	C32H56N8O12S5	904.2622	NA	PeJP	NA	NA
+PJ073865	SSCCCEHH 	C32H48N12O13S3	904.2626	NA	PeJP	NA	NA
+PJ073866	GGGGPCCCDH 	C32H48N12O13S3	904.2627	NA	PeJP	NA	NA
+PJ073867	CDDDDHW 	C36H44N10O16S	904.2658	NA	PeJP	NA	NA
+PJ073868	GSSSCCCCR 	C29H52N12O13S4	904.266	NA	PeJP	NA	NA
+PJ073869	CCCNNYW 	C37H48N10O11S3	904.2666	NA	PeJP	NA	NA
+PJ073870	GGCCCNYW 	C37H48N10O11S3	904.2667	NA	PeJP	NA	NA
+PJ073871	SSDDDDDH 	C32H44N10O21	904.2683	NA	PeJP	NA	NA
+PJ073872	SSCCNNDY 	C33H48N10O16S2	904.2691	NA	PeJP	NA	NA
+PJ073873	GGSSCCNDY 	C33H48N10O16S2	904.2692	NA	PeJP	NA	NA
+PJ073874	GCCCNQMF 	C34H52N10O11S4	904.27	NA	PeJP	NA	NA
+PJ073875	SSSSSCCNM 	C30H52N10O16S3	904.2725	NA	PeJP	NA	NA
+PJ073876	SCCDEYW 	C38H48N8O14S2	904.2732	NA	PeJP	NA	NA
+PJ073877	SCCCCQKM 	C31H56N10O11S5	904.2734	NA	PeJP	NA	NA
+PJ073878	PCCCMYW 	C39H52N8O9S4	904.274	NA	PeJP	NA	NA
+PJ073879	SSSCDDEY 	C34H48N8O19S	904.2757	NA	PeJP	NA	NA
+PJ073880	CNDEMMY 	C35H52N8O14S3	904.2765	NA	PeJP	NA	NA
+PJ073881	GGCDEMMY 	C35H52N8O14S3	904.2766	NA	PeJP	NA	NA
+PJ073882	TCCMMMW 	C36H56N8O9S5	904.2774	NA	PeJP	NA	NA
+PJ073883	SSSCEMMM 	C32H56N8O14S4	904.2799	NA	PeJP	NA	NA
+PJ073884	GCNNDDMH 	C32H48N12O15S2	904.2804	NA	PeJP	NA	NA
+PJ073885	CQMMMMM 	C33H60N8O9S6	904.2808	NA	PeJP	NA	NA
+PJ073886	GCCCCNFR 	C33H52N12O10S4	904.2813	NA	PeJP	NA	NA
+PJ073887	SCCCCCKR 	C30H56N12O10S5	904.2846	NA	PeJP	NA	NA
+MJ097378	4',5,7-Trihydroxyflavanone, 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], diglucoside 	C39H52O24	904.284852	NA	MeJP	NA	NA
+PJ073888	GSDDDEMH 	C33H48N10O18S	904.2869	NA	PeJP	NA	NA
+PJ073889	CCDDMRY 	C34H52N10O13S3	904.2878	NA	PeJP	NA	NA
+PJ073890	GSSSSSSTCC 	C30H52N10O18S2	904.2903	NA	PeJP	NA	NA
+PJ073891	CNDDEFY 	C38H48N8O16S	904.2909	NA	PeJP	NA	NA
+PJ073892	GSTTCCCCK 	C31H56N10O13S4	904.2911	NA	PeJP	NA	NA
+PJ073893	GSSSCCCKM 	C31H56N10O13S4	904.2912	NA	PeJP	NA	NA
+PJ073894	SCCNNNNH 	C31H48N14O14S2	904.2916	NA	PeJP	NA	NA
+PJ073895	GGGGGGGGSCCH 	C31H48N14O14S2	904.2917	NA	PeJP	NA	NA
+PJ073896	GCDMMYW 	C39H52N8O11S3	904.2918	NA	PeJP	NA	NA
+PJ073897	CCMMMMR 	C32H60N10O8S6	904.292	NA	PeJP	NA	NA
+PJ073898	GPDDDEEE 	C34H48N8O21	904.2934	NA	PeJP	NA	NA
+PJ073899	PVDDDDDD 	C34H48N8O21	904.2935	NA	PeJP	NA	NA
+PJ073900	GSSDDMMY 	C35H52N8O16S2	904.2943	NA	PeJP	NA	NA
+PJ073901	GPTCCMMY 	C36H56N8O11S4	904.2952	NA	PeJP	NA	NA
+PJ073902	CCNNEHW 	C36H48N12O12S2	904.2956	NA	PeJP	NA	NA
+PJ073903	GGCCNEHW 	C36H48N12O12S2	904.2957	NA	PeJP	NA	NA
+PJ073904	SSCNNDEH 	C32H48N12O17S	904.2981	NA	PeJP	NA	NA
+PJ073905	GGSSCNDEH 	C32H48N12O17S	904.2982	NA	PeJP	NA	NA
+PJ073906	GSSMMMMM 	C33H60N8O11S5	904.2985	NA	PeJP	NA	NA
+PJ073907	GSCCCNRY 	C33H52N12O12S3	904.299	NA	PeJP	NA	NA
+PJ073908	SDDDMHW 	C37H48N10O15S	904.3022	NA	PeJP	NA	NA
+PJ073909	PCCEMHW 	C38H52N10O10S3	904.303	NA	PeJP	NA	NA
+PJ073910	SSSDDEEH 	C33H48N10O20	904.3047	NA	PeJP	NA	NA
+PJ073911	SSSCNNMY 	C34H52N10O15S2	904.3055	NA	PeJP	NA	NA
+PJ073912	GGDEEMMH 	C34H52N10O15S2	904.3056	NA	PeJP	NA	NA
+PJ073913	GCDDFYW 	C42H48N8O13S	904.3062	NA	PeJP	NA	NA
+PJ073914	CCDMMFR 	C35H56N10O10S4	904.3064	NA	PeJP	NA	NA
+PJ073915	GPCCDHHH 	C35H48N14O11S2	904.3069	NA	PeJP	NA	NA
+PJ073916	PCCCFFW 	C43H52N8O8S3	904.3071	NA	PeJP	NA	NA
+PJ073917	SSSSSSSSSC 	C30H52N10O20S	904.308	NA	PeJP	NA	NA
+PJ073918	PDDDEEW 	C38H48N8O18	904.3087	NA	PeJP	NA	NA
+PJ073919	SSSSTCCCK 	C31H56N10O15S3	904.3089	NA	PeJP	NA	NA
+PJ073920	SSCEMYW 	C39H52N8O13S2	904.3096	NA	PeJP	NA	NA
+PJ073921	SCCCCKKM 	C32H60N10O10S5	904.3098	NA	PeJP	NA	NA
+PJ073922	GCMMMFW 	C40H56N8O8S4	904.3104	NA	PeJP	NA	NA
+PJ073923	GCCNHWW 	C40H48N12O9S2	904.3109	NA	PeJP	NA	NA
+PJ073924	SSSTCEEY 	C35H52N8O18S	904.312	NA	PeJP	NA	NA
+PJ073925	SSSSDEMY 	C35H52N8O18S	904.3121	NA	PeJP	NA	NA
+PJ073926	SNEMMMY 	C36H56N8O13S3	904.3129	NA	PeJP	NA	NA
+PJ073927	GSSCNDHW 	C36H48N12O14S	904.3134	NA	PeJP	NA	NA
+PJ073928	CMYYYY 	C44H52N6O11S2	904.3136	NA	PeJP	NA	NA
+PJ073929	CCQMHHF 	C37H52N12O9S3	904.3143	NA	PeJP	NA	NA
+PJ073930	GSSSSNDDH 	C32H48N12O19	904.3159	NA	PeJP	NA	NA
+PJ073931	SSSTMMMM 	C33H60N8O13S4	904.3163	NA	PeJP	NA	NA
+PJ073932	CDDEMHR 	C33H52N12O14S2	904.3168	NA	PeJP	NA	NA
+PJ073933	CKMMMMM 	C34H64N8O8S6	904.3172	NA	PeJP	NA	NA
+PJ073934	GSPNDDDW 	C37H48N10O17	904.3199	NA	PeJP	NA	NA
+PJ073935	GDEMMHW 	C38H52N10O12S2	904.3208	NA	PeJP	NA	NA
+MJ097379	2,3-Dihydroxy-2-(2-methylpropyl)butanedioic acid, 2-O-?-D-Glucopyranoside, bis(4-?-D-glucopyranosyloxybenzyl) ester, 	C40H56O23	904.321238	NA	MeJP	NA	NA
+PJ073936	GSSSSSCQY 	C34H52N10O17S	904.3233	NA	PeJP	NA	NA
+PJ073937	GSDDYYW 	C42H48N8O15	904.3239	NA	PeJP	NA	NA
+PJ073938	SCDMMRY 	C35H56N10O12S3	904.3242	NA	PeJP	NA	NA
+PJ073939	NDDMHHH 	C35H48N14O13S	904.3246	NA	PeJP	NA	NA
+PJ073940	GGDDMHHH 	C35H48N14O13S	904.3247	NA	PeJP	NA	NA
+PJ073941	APCCYYW 	C43H52N8O10S2	904.3248	NA	PeJP	NA	NA
+PJ073942	CCCHHFR 	C36H52N14O8S3	904.3255	NA	PeJP	NA	NA
+PJ073943	SNNNNNND 	C31H48N14O18	904.3271	NA	PeJP	NA	NA
+PJ073944	GGGGGGSNNND 	C31H48N14O18	904.3272	NA	PeJP	NA	NA
+PJ073945	GNEEMYY 	C39H52N8O15S	904.3273	NA	PeJP	NA	NA
+PJ073946	GSCCNEHR 	C32H52N14O13S2	904.328	NA	PeJP	NA	NA
+PJ073947	GSMMMYW 	C40H56N8O10S3	904.3282	NA	PeJP	NA	NA
+PJ073948	GSPEEEEE 	C35H52N8O20	904.3298	NA	PeJP	NA	NA
+PJ073949	GSSTEMMY 	C36H56N8O15S2	904.3307	NA	PeJP	NA	NA
+PJ073950	NNNNDEW 	C36H48N12O16	904.3312	NA	PeJP	NA	NA
+PJ073951	AQMMMMY 	C37H60N8O10S4	904.3315	NA	PeJP	NA	NA
+PJ073952	GAAMMMMY 	C37H60N8O10S4	904.3316	NA	PeJP	NA	NA
+PJ073953	SCNQMHW 	C37H52N12O11S2	904.332	NA	PeJP	NA	NA
+PJ073954	GGGGAPCCHF 	C37H52N12O11S2	904.3321	NA	PeJP	NA	NA
+PJ073955	GPCNDDER 	C33H52N12O16S	904.3345	NA	PeJP	NA	NA
+PJ073956	GGGPCDDER 	C33H52N12O16S	904.3346	NA	PeJP	NA	NA
+PJ073957	GDDEHFW 	C41H48N10O14	904.3352	NA	PeJP	NA	NA
+PJ073958	NNQMMMH 	C34H56N12O11S3	904.3354	NA	PeJP	NA	NA
+PJ073959	GSCNNHHH 	C34H48N16O12S	904.3359	NA	PeJP	NA	NA
+PJ073960	DMMHWW 	C42H52N10O9S2	904.336	NA	PeJP	NA	NA
+PJ073961	PPCCNWW 	C42H52N10O9S2	904.3361	NA	PeJP	NA	NA
+MJ097380	Bussein M 	C44H56O20	904.336494	NA	MeJP	NA	NA
+PJ073962	PCDQQEW 	C38H52N10O14S	904.3385	NA	PeJP	NA	NA
+PJ073963	SSEEMHW 	C38H52N10O14S	904.3386	NA	PeJP	NA	NA
+PJ073964	PTCMMHW 	C39H56N10O9S3	904.3394	NA	PeJP	NA	NA
+PJ073965	GCEHHHW 	C39H48N14O10S	904.3399	NA	PeJP	NA	NA
+PJ073966	SSSSSSSNY 	C34H52N10O19	904.341	NA	PeJP	NA	NA
+PJ073967	TTTTDDDH 	C34H52N10O19	904.3411	NA	PeJP	NA	NA
+PJ073968	SSSCCQKY 	C35H56N10O14S2	904.3419	NA	PeJP	NA	NA
+PJ073969	GSSDEHHH 	C35H48N14O15	904.3424	NA	PeJP	NA	NA
+PJ073970	NEMYYW 	C43H52N8O12S	904.3426	NA	PeJP	NA	NA
+PJ073971	ACMMMRY 	C36H60N10O9S4	904.3428	NA	PeJP	NA	NA
+PJ073972	SCCNHRW 	C36H52N14O10S2	904.3433	NA	PeJP	NA	NA
+PJ073973	SPEEEEW 	C39H52N8O17	904.3451	NA	PeJP	NA	NA
+PJ073974	SSSCNDHR 	C32H52N14O15S	904.3458	NA	PeJP	NA	NA
+PJ073975	SSTMMYW 	C40H56N8O12S2	904.3459	NA	PeJP	NA	NA
+PJ073976	PPDEMMW 	C40H56N8O12S2	904.346	NA	PeJP	NA	NA
+PJ073977	GNNNDWW 	C40H48N12O13	904.3464	NA	PeJP	NA	NA
+PJ073978	CFFYYY 	C48H52N6O10S	904.3466	NA	PeJP	NA	NA
+PJ073979	GGGGCMMHR 	C33H56N14O10S3	904.3467	NA	PeJP	NA	NA
+PJ073980	SSSTTEMY 	C36H56N8O17S	904.3484	NA	PeJP	NA	NA
+PJ073981	AAPEEEEM 	C36H56N8O17S	904.3485	NA	PeJP	NA	NA
+PJ073982	SDKMMMY 	C37H60N8O12S3	904.3493	NA	PeJP	NA	NA
+PJ073983	PCNDDRW 	C37H52N12O13S	904.3498	NA	PeJP	NA	NA
+PJ073984	DDHFWW 	C45H48N10O11	904.3504	NA	PeJP	NA	NA
+PJ073985	CCKMHHF 	C38H56N12O8S3	904.3507	NA	PeJP	NA	NA
+PJ073986	NNDEEER 	C33H52N12O18	904.3523	NA	PeJP	NA	NA
+PJ073987	SDEMMHR 	C34H56N12O13S2	904.3532	NA	PeJP	NA	NA
+PJ073988	GPNDMWW 	C42H52N10O11S	904.3538	NA	PeJP	NA	NA
+PJ073989	PCMMMHR 	C35H60N12O8S4	904.354	NA	PeJP	NA	NA
+PJ073990	CHHHWW 	C43H48N14O7S	904.3552	NA	PeJP	NA	NA
+PJ073991	GQQEEEW 	C38H52N10O16	904.3563	NA	PeJP	NA	NA
+PJ073992	GCNNNNNR 	C31H52N16O14S	904.357	NA	PeJP	NA	NA
+PJ073993	ATEMMHW 	C39H56N10O11S2	904.3572	NA	PeJP	NA	NA
+PJ073994	SSDHHHW 	C39H48N14O12	904.3577	NA	PeJP	NA	NA
+PJ073995	GMYYWW 	C47H52N8O9S	904.3578	NA	PeJP	NA	NA
+PJ073996	CCCQHRR 	C32H56N16O9S3	904.3579	NA	PeJP	NA	NA
+PJ073997	GSSSSSCKY 	C35H56N10O16S	904.3597	NA	PeJP	NA	NA
+PJ073998	GSTEYYW 	C43H52N8O14	904.3603	NA	PeJP	NA	NA
+PJ073999	SSMMMRY 	C36H60N10O11S3	904.3605	NA	PeJP	NA	NA
+PJ074000	GTCCCKKY 	C36H60N10O11S3	904.3606	NA	PeJP	NA	NA
+PJ074001	CNNDHFR 	C36H52N14O12S	904.361	NA	PeJP	NA	NA
+PJ074002	QMMFYW 	C44H56N8O9S2	904.3612	NA	PeJP	NA	NA
+PJ074003	NDDDDRR 	C32H52N14O17	904.3635	NA	PeJP	NA	NA
+PJ074004	GGGGGGGSDER 	C32H52N14O17	904.3636	NA	PeJP	NA	NA
+PJ074005	PVDEEMW 	C40H56N8O14S	904.3637	NA	PeJP	NA	NA
+PJ074006	AYYYYY 	C48H52N6O12	904.3643	NA	PeJP	NA	NA
+PJ074007	GSSCQMHR 	C33H56N14O12S2	904.3644	NA	PeJP	NA	NA
+PJ074008	AQMMMFF 	C41H60N8O9S3	904.3646	NA	PeJP	NA	NA
+PJ074009	GNNMHFW 	C41H52N12O10S	904.365	NA	PeJP	NA	NA
+PJ074010	GGGNMHFW 	C41H52N12O10S	904.3651	NA	PeJP	NA	NA
+PJ074011	LQEEEEE 	C36H56N8O19	904.3662	NA	PeJP	NA	NA
+PJ074012	SSSSLMMY 	C37H60N8O14S2	904.3671	NA	PeJP	NA	NA
+PJ074013	ANDDERW 	C37H52N12O15	904.3675	NA	PeJP	NA	NA
+PJ074014	GNDEERW 	C37H52N12O15	904.3676	NA	PeJP	NA	NA
+PJ074015	AKMMMMY 	C38H64N8O9S4	904.3679	NA	PeJP	NA	NA
+PJ074016	APPPMMMM 	C38H64N8O9S4	904.368	NA	PeJP	NA	NA
+PJ074017	GSPPCCRW 	C38H56N12O10S2	904.3684	NA	PeJP	NA	NA
+PJ074018	PCQWWW 	C46H52N10O8S	904.3691	NA	PeJP	NA	NA
+PJ074019	GSPNDEMR 	C34H56N12O15S	904.3709	NA	PeJP	NA	NA
+PJ074020	GGGGGGGGGLEM 	C34H56N12O15S	904.371	NA	PeJP	NA	NA
+PJ074021	QQEEWW 	C42H52N10O13	904.3716	NA	PeJP	NA	NA
+PJ074022	AEMMMHR 	C35H60N12O10S3	904.3718	NA	PeJP	NA	NA
+PJ074023	SCEHHHR 	C35H52N16O11S	904.3723	NA	PeJP	NA	NA
+PJ074024	CMFRYW 	C43H56N10O8S2	904.3724	NA	PeJP	NA	NA
+PJ074025	TTTEMHW 	C39H56N10O13S	904.3749	NA	PeJP	NA	NA
+PJ074026	GGGAPTEMW 	C39H56N10O13S	904.375	NA	PeJP	NA	NA
+PJ074027	STYYWW 	C47H52N8O11	904.3756	NA	PeJP	NA	NA
+PJ074028	GLMMMHW 	C40H60N10O8S3	904.3758	NA	PeJP	NA	NA
+PJ074029	GTMHHHW 	C40H52N14O9S	904.3763	NA	PeJP	NA	NA
+PJ074030	STTTTEEH 	C35H56N10O18	904.3774	NA	PeJP	NA	NA
+PJ074031	VDEEEER 	C35H56N10O18	904.3775	NA	PeJP	NA	NA
+PJ074032	SSSCCKKY 	C36H60N10O13S2	904.3783	NA	PeJP	NA	NA
+PJ074033	SNNNDRW 	C36H52N14O14	904.3788	NA	PeJP	NA	NA
+PJ074034	DKMYYW 	C44H56N8O11S	904.379	NA	PeJP	NA	NA
+PJ074035	PKMMMMH 	C37H64N10O8S4	904.3792	NA	PeJP	NA	NA
+PJ074036	VNMMHHH 	C37H56N14O9S2	904.3796	NA	PeJP	NA	NA
+PJ074037	GGVMMHHH 	C37H56N14O9S2	904.3797	NA	PeJP	NA	NA
+PJ074038	SNHHHHH 	C37H48N18O10	904.3801	NA	PeJP	NA	NA
+PJ074039	SSKEEYY 	C40H56N8O16	904.3814	NA	PeJP	NA	NA
+PJ074040	ALEEEEW 	C40H56N8O16	904.3815	NA	PeJP	NA	NA
+PJ074041	SSSSNMHR 	C33H56N14O14S	904.3821	NA	PeJP	NA	NA
+PJ074042	GSPCDDRR 	C33H56N14O14S	904.3822	NA	PeJP	NA	NA
+PJ074043	GLQMMYY 	C41H60N8O11S2	904.3823	NA	PeJP	NA	NA
+PJ074044	NDERWW 	C41H52N12O12	904.3828	NA	PeJP	NA	NA
+PJ074045	APPCCCRR 	C34H60N14O9S3	904.383	NA	PeJP	NA	NA
+PJ074046	STTTTTMY 	C37H60N8O16S	904.3848	NA	PeJP	NA	NA
+PJ074047	TTKMMMY 	C38H64N8O11S3	904.3857	NA	PeJP	NA	NA
+PJ074048	SPNDMRW 	C38H56N12O12S	904.3862	NA	PeJP	NA	NA
+PJ074049	AQEWWW 	C46H52N10O10	904.3868	NA	PeJP	NA	NA
+PJ074050	SQQEEER 	C34H56N12O17	904.3887	NA	PeJP	NA	NA
+PJ074051	TTEMMHR 	C35H60N12O12S2	904.3895	NA	PeJP	NA	NA
+PJ074052	GGPQEMMR 	C35H60N12O12S2	904.3896	NA	PeJP	NA	NA
+PJ074053	NNQQQHH 	C35H52N16O13	904.39	NA	PeJP	NA	NA
+PJ074054	GGGGGGGGGVHH 	C35H52N16O13	904.3901	NA	PeJP	NA	NA
+PJ074055	GPTQMWW 	C43H56N10O10S	904.3902	NA	PeJP	NA	NA
+PJ074056	GFFYWW 	C51H52N8O8	904.3908	NA	PeJP	NA	NA
+PJ074057	GMMHHHR 	C36H56N16O8S2	904.3909	NA	PeJP	NA	NA
+PJ074058	GQKEEEW 	C39H56N10O15	904.3927	NA	PeJP	NA	NA
+PJ074059	CNNNERR 	C32H56N16O13S	904.3934	NA	PeJP	NA	NA
+PJ074060	STLMMHW 	C40H60N10O10S2	904.3936	NA	PeJP	NA	NA
+PJ074061	STTHHHW 	C40H52N14O11	904.394	NA	PeJP	NA	NA
+PJ074062	GGGGPTHHW 	C40H52N14O11	904.3941	NA	PeJP	NA	NA
+PJ074063	QMFFFW 	C48H56N8O8S	904.3942	NA	PeJP	NA	NA
+PJ074064	CCCKHRR 	C33H60N16O8S3	904.3943	NA	PeJP	NA	NA
+PJ074065	SSTTLEMH 	C36H60N10O15S	904.3961	NA	PeJP	NA	NA
+PJ074066	SSSLYYW 	C44H56N8O13	904.3967	NA	PeJP	NA	NA
+PJ074067	VKEMMMH 	C37H64N10O10S3	904.3969	NA	PeJP	NA	NA
+PJ074068	GGGPPKMMM 	C37H64N10O10S3	904.397	NA	PeJP	NA	NA
+PJ074069	GNNQMRW 	C37H56N14O11S	904.3974	NA	PeJP	NA	NA
+PJ074070	KMMFYW 	C45H60N8O8S2	904.3976	NA	PeJP	NA	NA
+PJ074071	GDRWWW 	C45H52N12O9	904.3981	NA	PeJP	NA	NA
+PJ074072	SNDEERR 	C33H56N14O16	904.3999	NA	PeJP	NA	NA
+PJ074073	PTLEEMW 	C41H60N8O13S	904.4001	NA	PeJP	NA	NA
+PJ074074	PCNEMRR 	C34H60N14O11S2	904.4008	NA	PeJP	NA	NA
+PJ074075	PPLMMMW 	C42H64N8O8S3	904.401	NA	PeJP	NA	NA
+PJ074076	NNNNHHR 	C34H52N18O12	904.4012	NA	PeJP	NA	NA
+PJ074077	GGNNNHHR 	C34H52N18O12	904.4013	NA	PeJP	NA	NA
+PJ074078	GPTCRWW 	C42H56N12O9S	904.4014	NA	PeJP	NA	NA
+PJ074079	AAWWWW 	C50H52N10O7	904.4021	NA	PeJP	NA	NA
+PJ074080	LKEEEEE 	C37H60N8O18	904.4026	NA	PeJP	NA	NA
+PJ074081	GPVLEEMM 	C38H64N8O13S2	904.4035	NA	PeJP	NA	NA
+PJ074082	GTQEERW 	C38H56N12O14	904.4039	NA	PeJP	NA	NA
+PJ074083	GGGGGGTKEW 	C38H56N12O14	904.404	NA	PeJP	NA	NA
+PJ074084	GPQMMRW 	C39H60N12O9S2	904.4048	NA	PeJP	NA	NA
+PJ074085	GDHHHFR 	C39H52N16O10	904.4053	NA	PeJP	NA	NA
+PJ074086	PCKWWW 	C47H56N10O7S	904.4055	NA	PeJP	NA	NA
+PJ074087	VNQEEMR 	C35H60N12O14S	904.4073	NA	PeJP	NA	NA
+PJ074088	SSPDKWW 	C43H56N10O12	904.4079	NA	PeJP	NA	NA
+PJ074089	QKEEWW 	C43H56N10O12	904.408	NA	PeJP	NA	NA
+PJ074090	SLMMMHR 	C36H64N12O9S3	904.4082	NA	PeJP	NA	NA
+PJ074091	GCNNRRW 	C36H56N16O10S	904.4086	NA	PeJP	NA	NA
+PJ074092	GGGCNRRW 	C36H56N16O10S	904.4087	NA	PeJP	NA	NA
+PJ074093	AAHHHFW 	C44H52N14O8	904.4093	NA	PeJP	NA	NA
+PJ074094	GSSNNDRR 	C32H56N16O15	904.4111	NA	PeJP	NA	NA
+PJ074095	GGGSSNDRR 	C32H56N16O15	904.4112	NA	PeJP	NA	NA
+PJ074096	SPQKEMW 	C40H60N10O12S	904.4113	NA	PeJP	NA	NA
+PJ074097	VQFYYW 	C48H56N8O10	904.412	NA	PeJP	NA	NA
+PJ074098	PCKHHHF 	C41H56N14O8S	904.4127	NA	PeJP	NA	NA
+PJ074099	TLEEEER 	C36H60N10O17	904.4138	NA	PeJP	NA	NA
+PJ074100	PLEEMMR 	C37H64N10O12S2	904.4147	NA	PeJP	NA	NA
+PJ074101	GSDERRW 	C37H56N14O13	904.4152	NA	PeJP	NA	NA
+PJ074102	GPKMFYY 	C45H60N8O10S	904.4153	NA	PeJP	NA	NA
+PJ074103	PPVEMFW 	C45H60N8O10S	904.4154	NA	PeJP	NA	NA
+PJ074104	GPCMRRW 	C38H60N14O8S2	904.416	NA	PeJP	NA	NA
+PJ074105	SLLEEEW 	C41H60N8O15	904.4178	NA	PeJP	NA	NA
+PJ074106	TLLDEEW 	C41H60N8O15	904.4179	NA	PeJP	NA	NA
+PJ074107	GQEEMRR 	C34H60N14O13S	904.4185	NA	PeJP	NA	NA
+PJ074108	GGAEEMRR 	C34H60N14O13S	904.4186	NA	PeJP	NA	NA
+PJ074109	PVLEMMW 	C42H64N8O10S2	904.4187	NA	PeJP	NA	NA
+PJ074110	TQERWW 	C42H56N12O11	904.4192	NA	PeJP	NA	NA
+PJ074111	CCKKMHR 	C35H64N14O8S3	904.4194	NA	PeJP	NA	NA
+PJ074112	AALLEEEM 	C38H64N8O15S	904.4212	NA	PeJP	NA	NA
+PJ074113	SPPVLMMM 	C39H68N8O10S3	904.4221	NA	PeJP	NA	NA
+PJ074114	SPTQMRW 	C39H60N12O11S	904.4225	NA	PeJP	NA	NA
+PJ074115	GVQEMRW 	C39H60N12O11S	904.4226	NA	PeJP	NA	NA
+PJ074116	AKEWWW 	C47H56N10O9	904.4232	NA	PeJP	NA	NA
+PJ074117	SSPTTQER 	C35H60N12O16	904.425	NA	PeJP	NA	NA
+PJ074118	SQKEEER 	C35H60N12O16	904.4251	NA	PeJP	NA	NA
+PJ074119	PNKEMMR 	C36H64N12O11S2	904.4259	NA	PeJP	NA	NA
+PJ074120	GGGGAPCKKM 	C36H64N12O11S2	904.426	NA	PeJP	NA	NA
+PJ074121	AQQEHHR 	C36H56N16O12	904.4264	NA	PeJP	NA	NA
+PJ074122	GPTKMWW 	C44H60N10O9S	904.4266	NA	PeJP	NA	NA
+PJ074123	GKKEEEW 	C40H60N10O14	904.4291	NA	PeJP	NA	NA
+PJ074124	GDDMRRR 	C33H60N16O12S	904.4298	NA	PeJP	NA	NA
+PJ074125	PVNKMMW 	C41H64N10O9S2	904.43	NA	PeJP	NA	NA
+PJ074126	SDRRWW 	C41H56N14O10	904.4304	NA	PeJP	NA	NA
+PJ074127	KMFFFW 	C49H60N8O7S	904.4306	NA	PeJP	NA	NA
+PJ074128	TTTTTLMH 	C37H64N10O14S	904.4324	NA	PeJP	NA	NA
+PJ074129	VLEEEMR 	C37H64N10O14S	904.4325	NA	PeJP	NA	NA
+PJ074130	PPTLEYW 	C45H60N8O12	904.4331	NA	PeJP	NA	NA
+PJ074131	APPCKKMM 	C38H68N10O9S3	904.4333	NA	PeJP	NA	NA
+PJ074132	QEMRRW 	C38H60N14O10S	904.4338	NA	PeJP	NA	NA
+PJ074133	ATRWWW 	C46H56N12O8	904.4344	NA	PeJP	NA	NA
+PJ074134	GGPFRWW 	C46H56N12O8	904.4345	NA	PeJP	NA	NA
+PJ074135	STQEERR 	C34H60N14O15	904.4363	NA	PeJP	NA	NA
+PJ074136	VVLEEMW 	C42H64N8O12S	904.4365	NA	PeJP	NA	NA
+PJ074137	SPQMMRR 	C35H64N14O10S2	904.4372	NA	PeJP	NA	NA
+PJ074138	GNEHHRR 	C35H56N18O11	904.4376	NA	PeJP	NA	NA
+PJ074139	GGGEHHRR 	C35H56N18O11	904.4377	NA	PeJP	NA	NA
+PJ074140	VQMRWW 	C43H60N12O8S	904.4378	NA	PeJP	NA	NA
+PJ074141	ATTLLEEE 	C38H64N8O17	904.439	NA	PeJP	NA	NA
+PJ074142	APTILEMM 	C39H68N8O12S2	904.4398	NA	PeJP	NA	NA
+PJ074143	APTLLEMM 	C39H68N8O12S2	904.4399	NA	PeJP	NA	NA
+PJ074144	GTKEERW 	C39H60N12O13	904.4403	NA	PeJP	NA	NA
+PJ074145	GGGGGGGGGLLF 	C39H60N12O13	904.4404	NA	PeJP	NA	NA
+PJ074146	SCNNRRR 	C32H60N18O11S	904.441	NA	PeJP	NA	NA
+PJ074147	GPKMMRW 	C40H64N12O8S2	904.4412	NA	PeJP	NA	NA
+PJ074148	AAQHHRW 	C40H56N16O9	904.4417	NA	PeJP	NA	NA
+PJ074149	VNKEEMR 	C36H64N12O13S	904.4437	NA	PeJP	NA	NA
+PJ074150	KKEEWW 	C44H60N10O11	904.4443	NA	PeJP	NA	NA
+PJ074151	GGGGPVLYW 	C44H60N10O11	904.4444	NA	PeJP	NA	NA
+PJ074152	CKKKMMH 	C37H68N12O8S3	904.4446	NA	PeJP	NA	NA
+PJ074153	CERRRW 	C37H60N16O9S	904.445	NA	PeJP	NA	NA
+MJ097381	Bryostatin 1 	C47H68O17	904.44565	NA	MeJP	NA	NA
+C05149	Bryostatin 1	C47H68O17	904.4457	NA	KEGG	NA	NA
+C05150	Teleocidin B-1	C47H68O17	904.4457	NA	KEGG	NA	NA
+PJ074154	SSDERRR 	C33H60N16O14	904.4475	NA	PeJP	NA	NA
+PJ074155	SPKKEMW 	C41H64N10O11S	904.4477	NA	PeJP	NA	NA
+PJ074156	VKFYYW 	C49H60N8O9	904.4484	NA	PeJP	NA	NA
+PJ074157	AMRRWW 	C42H60N14O7S	904.4491	NA	PeJP	NA	NA
+PJ074158	DKKKEEE 	C37H64N10O16	904.4502	NA	PeJP	NA	NA
+PJ074159	AAPKKEMM 	C38H68N10O11S2	904.4511	NA	PeJP	NA	NA
+PJ074160	ASTERRW 	C38H60N14O12	904.4515	NA	PeJP	NA	NA
+MJ097382	11-Hydroxyhexadecanoic acid, O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C40H72O22	904.451523	NA	MeJP	NA	NA
+PJ074161	GTTERRW 	C38H60N14O12	904.4516	NA	PeJP	NA	NA
+PJ074162	PPVLMYW 	C46H64N8O9S	904.4517	NA	PeJP	NA	NA
+PJ074163	NHHRRW 	C39H56N18O8	904.4529	NA	PeJP	NA	NA
+PJ074164	AAPLLEEY 	C42H64N8O14	904.4542	NA	PeJP	NA	NA
+PJ074165	GKEEMRR 	C35H64N14O12S	904.4549	NA	PeJP	NA	NA
+PJ074166	GGGGGGGCKKK 	C35H64N14O12S	904.455	NA	PeJP	NA	NA
+PJ074167	GPPLLMMF 	C43H68N8O9S2	904.4551	NA	PeJP	NA	NA
+PJ074168	TKERWW 	C43H60N12O10	904.4556	NA	PeJP	NA	NA
+PJ074169	GTLLLEEM 	C39H68N8O14S	904.4576	NA	PeJP	NA	NA
+PJ074170	GPLLLMMM 	C40H72N8O9S3	904.4585	NA	PeJP	NA	NA
+PJ074171	AVDKMRW 	C40H64N12O10S	904.4589	NA	PeJP	NA	NA
+PJ074172	GVKEMRW 	C40H64N12O10S	904.459	NA	PeJP	NA	NA
+PJ074173	SLKWWW 	C48H60N10O8	904.4596	NA	PeJP	NA	NA
+PJ074174	SKKEEER 	C36H64N12O15	904.4614	NA	PeJP	NA	NA
+PJ074175	GSSLKEER 	C36H64N12O15	904.4615	NA	PeJP	NA	NA
+PJ074176	PDKKMMR 	C37H68N12O10S2	904.4623	NA	PeJP	NA	NA
+PJ074177	GNQQFRR 	C37H60N16O11	904.4628	NA	PeJP	NA	NA
+PJ074178	AALKMWW 	C45H64N10O8S	904.463	NA	PeJP	NA	NA
+8146	peptide derived from rice bran proteins (Oryza sativa)	AIRQGDVF	904.4639	anti inflammatory	Inhouse_peptide	NA	peptide
+PJ074179	SVKKEEW 	C41H64N10O13	904.4655	NA	PeJP	NA	NA
+PJ074180	GTEMRRR 	C34H64N16O11S	904.4662	NA	PeJP	NA	NA
+PJ074181	PCLKKMW 	C42H68N10O8S2	904.4663	NA	PeJP	NA	NA
+PJ074182	TTRRWW 	C42H60N14O9	904.4668	NA	PeJP	NA	NA
+PJ074183	LQKKEEM 	C38H68N10O13S	904.4688	NA	PeJP	NA	NA
+PJ074184	GALKKEEM 	C38H68N10O13S	904.4689	NA	PeJP	NA	NA
+PJ074185	PVVLEYW 	C46H64N8O11	904.4695	NA	PeJP	NA	NA
+PJ074186	KEMRRW 	C39H64N14O9S	904.4702	NA	PeJP	NA	NA
+PJ074187	LHFFRW 	C47H60N12O7	904.4708	NA	PeJP	NA	NA
+PJ074188	STKEERR 	C35H64N14O14	904.4727	NA	PeJP	NA	NA
+PJ074189	TLLLEMW 	C43H68N8O11S	904.4729	NA	PeJP	NA	NA
+PJ074190	ALQMMRR 	C36H68N14O9S2	904.4735	NA	PeJP	NA	NA
+PJ074191	SPKMMRR 	C36H68N14O9S2	904.4736	NA	PeJP	NA	NA
+PJ074192	GDKHHRR 	C36H60N18O10	904.474	NA	PeJP	NA	NA
+PJ074193	VKMRWW 	C44H64N12O7S	904.4742	NA	PeJP	NA	NA
+PJ074194	STTLLLEE 	C39H68N8O16	904.4754	NA	PeJP	NA	NA
+PJ074195	GVLLLEMM 	C40H72N8O11S2	904.4762	NA	PeJP	NA	NA
+PJ074196	SSLKERW 	C40H64N12O12	904.4767	NA	PeJP	NA	NA
+PJ074197	AAKHHRW 	C41H60N16O8	904.478	NA	PeJP	NA	NA
+PJ074198	GPPHRRW 	C41H60N16O8	904.4781	NA	PeJP	NA	NA
+PJ074199	VDKKEMR 	C37H68N12O12S	904.4801	NA	PeJP	NA	NA
+PJ074200	ATTLKWW 	C45H64N10O10	904.4807	NA	PeJP	NA	NA
+PJ074201	TMRRRW 	C38H64N16O8S	904.4814	NA	PeJP	NA	NA
+PJ074202	STTERRR 	C34H64N16O13	904.4839	NA	PeJP	NA	NA
+PJ074203	ALKKEMW 	C42H68N10O10S	904.4841	NA	PeJP	NA	NA
+PJ074204	PPVLFFW 	C50H64N8O8	904.4848	NA	PeJP	NA	NA
+PJ074205	GSHHRRR 	C35H60N20O9	904.4853	NA	PeJP	NA	NA
+PJ074206	GTTLKKEE 	C38H68N10O15	904.4866	NA	PeJP	NA	NA
+PJ074207	LLLEMMR 	C39H72N10O10S2	904.4875	NA	PeJP	NA	NA
+PJ074208	SSTLRRW 	C39H64N14O11	904.4879	NA	PeJP	NA	NA
+PJ074209	GGALEFRR 	C39H64N14O11	904.488	NA	PeJP	NA	NA
+PJ074210	PVLLMFW 	C47H68N8O8S	904.4881	NA	PeJP	NA	NA
+MJ097383	N-Deacyltunicamycin; N4''-(3-Hydroxy-16-methyloctadecanoyl) 	C42H72N4O17	904.489246	NA	MeJP	NA	NA
+PJ074211	GPTLLLEY 	C43H68N8O13	904.4906	NA	PeJP	NA	NA
+PJ074212	SVKEMRR 	C36H68N14O11S	904.4913	NA	PeJP	NA	NA
+PJ074213	VLLLMMW 	C44H72N8O8S2	904.4915	NA	PeJP	NA	NA
+PJ074214	GPVKRYW 	C44H64N12O9	904.492	NA	PeJP	NA	NA
+PJ074215	SSLLLLEM 	C40H72N8O13S	904.494	NA	PeJP	NA	NA
+PJ074216	ATLKMRW 	C41H68N12O9S	904.4953	NA	PeJP	NA	NA
+PJ074217	MMRRRR 	C34H68N18O7S2	904.496	NA	PeJP	NA	NA
+PJ074218	GTTTLKER 	C37H68N12O14	904.4978	NA	PeJP	NA	NA
+PJ074219	VLQKMMR 	C38H72N12O9S2	904.4987	NA	PeJP	NA	NA
+PJ074220	GPTRRRY 	C38H64N16O10	904.4992	NA	PeJP	NA	NA
+PJ074221	TTLKKEW 	C42H68N10O12	904.5018	NA	PeJP	NA	NA
+PJ074222	GSTTLLKW 	C42H68N10O12	904.5019	NA	PeJP	NA	NA
+PJ074223	SSLMRRR 	C35H68N16O10S	904.5025	NA	PeJP	NA	NA
+PJ074224	GGTCKKRR 	C35H68N16O10S	904.5026	NA	PeJP	NA	NA
+MJ097384	Furostane-3,22,26-triol, 22-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside], 26-?-D-glucopyranoside 	C45H76O18	904.503165	NA	MeJP	NA	NA
+MJ097385	Furostane-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 26-?-D-glucopyranoside 	C45H76O18	904.503165	NA	MeJP	NA	NA
+MJ097386	Furostane-3,22,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H76O18	904.503165	NA	MeJP	NA	NA
+MJ097387	Furostane-3,6,22,26-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H76O18	904.503165	NA	MeJP	NA	NA
+MJ097388	Furostane-3,6,22,26-tetrol, 22-Me ether, 6-O-[?-D-xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H76O18	904.503165	NA	MeJP	NA	NA
+PJ074225	PKRRYW 	C43H64N14O8	904.5032	NA	PeJP	NA	NA
+PJ074226	LKKKEEM 	C39H72N10O12S	904.5052	NA	PeJP	NA	NA
+PJ074227	PTLLLYW 	C47H68N8O10	904.5059	NA	PeJP	NA	NA
+PJ074228	GCKKKRW 	C40H68N14O8S	904.5066	NA	PeJP	NA	NA
+PJ074229	SSSSLLRR 	C36H68N14O13	904.5091	NA	PeJP	NA	NA
+PJ074230	GPVLLLMY 	C44H72N8O10S	904.5093	NA	PeJP	NA	NA
+PJ074231	ALKMMRR 	C37H72N14O8S2	904.5099	NA	PeJP	NA	NA
+PJ074232	DFRRRR 	C37H64N18O9	904.5104	NA	PeJP	NA	NA
+PJ074233	ATLLLLMM 	C41H76N8O10S2	904.5126	NA	PeJP	NA	NA
+PJ074234	TTTLKRW 	C41H68N12O11	904.5131	NA	PeJP	NA	NA
+PJ074235	TLKKEMR 	C38H72N12O11S	904.5165	NA	PeJP	NA	NA
+PJ074236	APLKKYW 	C46H68N10O9	904.5171	NA	PeJP	NA	NA
+C11976	Avermectin A2a	C49H76O15	904.5184	NA	KEGG	NA	NA
+MJ097389	Avermectin B1a; 22,23-Dihydro, 23S-hydroxy, O5-Me 	C49H76O15	904.518421	NA	MeJP	NA	NA
+MJ097390	Avermectin B1c; 22,23-Dihydro, 23S-hydroxy 	C49H76O15	904.518421	NA	MeJP	NA	NA
+PJ074237	GSSSKKRR 	C35H68N16O12	904.5203	NA	PeJP	NA	NA
+PJ074238	SLLKKMW 	C43H72N10O9S	904.5205	NA	PeJP	NA	NA
+PJ074239	SSTLLKKE 	C39H72N10O14	904.523	NA	PeJP	NA	NA
+PJ074240	AALLKKMM 	C40H76N10O9S2	904.5239	NA	PeJP	NA	NA
+PJ074241	SPVKRRY 	C40H68N14O10	904.5243	NA	PeJP	NA	NA
+PJ074242	AALLLLEY 	C44H72N8O12	904.527	NA	PeJP	NA	NA
+PJ074243	TTLKMRR 	C37H72N14O10S	904.5277	NA	PeJP	NA	NA
+PJ074244	GVLKFRW 	C45H68N12O8	904.5284	NA	PeJP	NA	NA
+PJ074245	TTTLLLLM 	C41H76N8O12S	904.5304	NA	PeJP	NA	NA
+PJ074246	GKKKKMW 	C42H72N12O8S	904.5317	NA	PeJP	NA	NA
+PJ074247	SSTTLLKR 	C38H72N12O13	904.5342	NA	PeJP	NA	NA
+PJ074248	VLKKMMR 	C39H76N12O8S2	904.5351	NA	PeJP	NA	NA
+PJ074249	AALRRRY 	C39H68N16O9	904.5356	NA	PeJP	NA	NA
+PJ074250	VLLLERY 	C43H72N10O11	904.5382	NA	PeJP	NA	NA
+PJ074251	GGAALLLKY 	C43H72N10O11	904.5383	NA	PeJP	NA	NA
+PJ074252	SCKKKRR 	C36H72N16O9S	904.5389	NA	PeJP	NA	NA
+PJ074253	LKFRRW 	C44H68N14O7	904.5396	NA	PeJP	NA	NA
+PJ074254	ATTLLKKM 	C40H76N10O11S	904.5416	NA	PeJP	NA	NA
+PJ074255	VVLLLYW 	C48H72N8O9	904.5423	NA	PeJP	NA	NA
+PJ074256	GSTTKKKR 	C37H72N14O12	904.5455	NA	PeJP	NA	NA
+PJ074257	GVLLLLMF 	C45H76N8O9S	904.5456	NA	PeJP	NA	NA
+PJ074258	VRRRRY 	C38H68N18O8	904.5468	NA	PeJP	NA	NA
+PJ074259	STKKKKW 	C42H72N12O10	904.5495	NA	PeJP	NA	NA
+PJ074260	DKKKKKM 	C39H76N12O10S	904.5529	NA	PeJP	NA	NA
+PJ074261	ALLKKFW 	C47H72N10O8	904.5535	NA	PeJP	NA	NA
+PJ074262	LLLLMFR 	C44H76N10O8S	904.5569	NA	PeJP	NA	NA
+PJ074263	TTTTLLKK 	C40H76N10O13	904.5594	NA	PeJP	NA	NA
+PJ074264	GLLKRRY 	C41H72N14O9	904.5607	NA	PeJP	NA	NA
+PJ074265	GTLLLLLY 	C45H76N8O11	904.5634	NA	PeJP	NA	NA
+PJ074266	SKKKKMR 	C38H76N14O9S	904.5641	NA	PeJP	NA	NA
+PJ074267	SSSLKKKK 	C39H76N12O12	904.5706	NA	PeJP	NA	NA
+PJ074268	PVLKHRR 	C40H72N16O8	904.5719	NA	PeJP	NA	NA
+PJ074269	LLLQKKY 	C44H76N10O10	904.5746	NA	PeJP	NA	NA
+PJ074270	VVLKKRY 	C43H76N12O9	904.5859	NA	PeJP	NA	NA
+PJ074271	AKKKKFR 	C42H76N14O8	904.5971	NA	PeJP	NA	NA
+PJ074272	LLLKKKY 	C45H80N10O9	904.611	NA	PeJP	NA	NA
+PJ074273	VKKKKKF 	C44H80N12O8	904.6222	NA	PeJP	NA	NA
+HMDB05462	TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H100O6	904.75201	http://www.hmdb.ca/metabolites/HMDB05462	HMDB	NA	NA
+HMDB05462	TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H100O6	904.75201	HMDB05462	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05462	TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+HMDB10455	TG(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+HMDB10464	TG(18:1(9Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+HMDB10469	TG(18:2(9Z,12Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+HMDB10480	TG(18:2(9Z,12Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+HMDB10492	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso3]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+HMDB10521	TG(20:4(5Z,8Z,11Z,14Z)/18:0/18:3(9Z,12Z,15Z))[iso6]	C59H100O6	904.752014	NA	HMDB2010	NA	NA
+MJ097391	1,2-Di-O-acylglycerols; Glycerol 1,2-dioctacosanoate 	C59H116O5	904.882276	NA	MeJP	NA	NA
+2842	orphanin FQ/nociceptin peptide (FQ/N)	FGGFTGARKSARKLADE	904.96595	MH2+	Inhouse_peptide	NA	peptide
+MJ097392	4-Chlorobenzoyl-CoA 	C28H39ClN7O17P3S	905.10245	NA	MeJP	NA	NA
+MetaCyc04282	4-chlorobenzoyl-coA []	C28H39N7O17P3S1CL1	905.102451	NA	metacyc	NA	NA
+C06387	4-Chlorobenzoyl-CoA	C28H39ClN7O17P3S	905.1025	NA	KEGG	NA	NA
+C06388	2-Aryl-2-methylmalonate	C4H5O4R	905.1025	NA	KEGG	NA	NA
+C06389	2-Arylpropionate	C3H5O2R	905.1025	NA	KEGG	NA	NA
+MetaCyc04283	cyclohex-1,3-diene-5,6-dihydroxy-1-carboxyl-CoA []	C28H42N7O19P3S1	905.146902	NA	metacyc	NA	NA
+PJ074274	GPCCCCCCD 	C29H47N9O12S6	905.1669	NA	PeJP	NA	NA
+PJ074275	CCCCNDDM 	C29H47N9O14S5	905.1846	NA	PeJP	NA	NA
+PJ074276	GGCCCCDDM 	C29H47N9O14S5	905.1847	NA	PeJP	NA	NA
+PJ074277	GSCCCCCNN 	C28H47N11O13S5	905.1959	NA	PeJP	NA	NA
+PJ074278	GCCCCCEW 	C33H47N9O11S5	905.1999	NA	PeJP	NA	NA
+PJ074279	GSSCCCCDE 	C29H47N9O16S4	905.2024	NA	PeJP	NA	NA
+PJ074280	GSPCCCCCM 	C30H51N9O11S6	905.2033	NA	PeJP	NA	NA
+PJ074281	CCCCCWW 	C37H47N9O8S5	905.2151	NA	PeJP	NA	NA
+PJ074282	SSCCCCDW 	C33H47N9O13S4	905.2177	NA	PeJP	NA	NA
+PJ074283	SSSSCCCDD 	C29H47N9O18S3	905.2202	NA	PeJP	NA	NA
+PJ074284	SCCCNDMM 	C30H51N9O13S5	905.221	NA	PeJP	NA	NA
+PJ074285	SCCCCCER 	C29H51N11O12S5	905.2323	NA	PeJP	NA	NA
+MJ097393	Tatiopterin; Tatiopterin O, 2',5'-Dihydroxy 	C33H44N7O21P	905.232788	NA	MeJP	NA	NA
+PJ074286	GCCCNDEY 	C33H47N9O15S3	905.2354	NA	PeJP	NA	NA
+PJ074287	GTCCCCMW 	C34H51N9O10S5	905.2363	NA	PeJP	NA	NA
+PJ074288	GSSSCCCEM 	C30H51N9O15S4	905.2388	NA	PeJP	NA	NA
+PJ074289	GCCCQMMM 	C31H55N9O10S6	905.2397	NA	PeJP	NA	NA
+PJ074290	SCCCCNHH 	C31H47N13O11S4	905.2401	NA	PeJP	NA	NA
+PJ074291	PCCCNDDH 	C32H47N11O14S3	905.2467	NA	PeJP	NA	NA
+PJ074292	CCCNDYW 	C37H47N9O12S3	905.2507	NA	PeJP	NA	NA
+PJ074293	GCCCCMMR 	C30H55N11O9S6	905.2509	NA	PeJP	NA	NA
+PJ074294	SSCCNDDY 	C33H47N9O17S2	905.2532	NA	PeJP	NA	NA
+PJ074295	SSSCCCMW 	C34H51N9O12S4	905.254	NA	PeJP	NA	NA
+PJ074296	GGGCCCEMF 	C34H51N9O12S4	905.2541	NA	PeJP	NA	NA
+PJ074297	SSSSSCCDM 	C30H51N9O17S3	905.2565	NA	PeJP	NA	NA
+PJ074298	SSCCNMMM 	C31H55N9O12S5	905.2574	NA	PeJP	NA	NA
+PJ074299	CDDEMMY 	C35H51N7O15S3	905.2606	NA	PeJP	NA	NA
+PJ074300	GCNDDDMH 	C32H47N11O16S2	905.2644	NA	PeJP	NA	NA
+PJ074301	CEMMMMM 	C33H59N7O10S6	905.2648	NA	PeJP	NA	NA
+PJ074302	GCCCCDFR 	C33H51N11O11S4	905.2653	NA	PeJP	NA	NA
+PJ074303	STCCCCMR 	C30H55N11O11S5	905.2686	NA	PeJP	NA	NA
+PJ074304	CCCNMFW 	C38H51N9O9S4	905.2693	NA	PeJP	NA	NA
+PJ074305	GSCCNEMY 	C34H51N9O14S3	905.2718	NA	PeJP	NA	NA
+PJ074306	PCCCCCKF 	C35H55N9O9S5	905.2727	NA	PeJP	NA	NA
+PJ074307	CDDDEFY 	C38H47N7O17S	905.275	NA	PeJP	NA	NA
+PJ074308	GSSSTCCMM 	C31H55N9O14S4	905.2752	NA	PeJP	NA	NA
+PJ074309	SCCNNNDH 	C31H47N13O15S2	905.2756	NA	PeJP	NA	NA
+PJ074310	GGGGSCCNDH 	C31H47N13O15S2	905.2757	NA	PeJP	NA	NA
+PJ074311	GCCCKMMM 	C32H59N9O9S6	905.276	NA	PeJP	NA	NA
+PJ074312	CDEMMMF 	C36H55N7O12S4	905.2792	NA	PeJP	NA	NA
+PJ074313	CCNDEHW 	C36H47N11O13S2	905.2797	NA	PeJP	NA	NA
+PJ074314	SSCNDDEH 	C32H47N11O18S	905.2822	NA	PeJP	NA	NA
+PJ074315	GSCCCDRY 	C33H51N11O13S3	905.283	NA	PeJP	NA	NA
+PJ074316	CNNDDYY 	C37H47N9O16S	905.2862	NA	PeJP	NA	NA
+MetaCyc04284	coenzyme F430 [nickel porphinoid;factor F430;]	C42H51N6O13NI1	905.286759	NA	metacyc	NA	NA
+C05777	Coenzyme F430	C42H51N6NiO13	905.2868	NA	KEGG	NA	NA
+PJ074317	SCCNMYW 	C38H51N9O11S3	905.287	NA	PeJP	NA	NA
+PJ074318	GGSCCMYW 	C38H51N9O11S3	905.2871	NA	PeJP	NA	NA
+PJ074319	SPNDDDDE 	C33H47N9O21	905.2887	NA	PeJP	NA	NA
+PJ074320	SSSCNDMY 	C34H51N9O16S2	905.2895	NA	PeJP	NA	NA
+PJ074321	GGSSSCDMY 	C34H51N9O16S2	905.2896	NA	PeJP	NA	NA
+PJ074322	CNNMMMY 	C35H55N9O11S4	905.2904	NA	PeJP	NA	NA
+PJ074323	SDDDEYY 	C38H47N7O19	905.2927	NA	PeJP	NA	NA
+PJ074324	SSSSSSCMM 	C31H55N9O16S3	905.2929	NA	PeJP	NA	NA
+PJ074325	PCDDMYY 	C39H51N7O14S2	905.2936	NA	PeJP	NA	NA
+PJ074326	STCCCKMM 	C32H59N9O11S5	905.2938	NA	PeJP	NA	NA
+PJ074327	GCCNNQMH 	C32H51N13O12S3	905.2943	NA	PeJP	NA	NA
+PJ074328	GCCDHWW 	C40H47N11O10S2	905.2949	NA	PeJP	NA	NA
+PJ074329	SDEMMMY 	C36H55N7O14S3	905.2969	NA	PeJP	NA	NA
+PJ074330	GSSCDDHW 	C36H47N11O15S	905.2974	NA	PeJP	NA	NA
+PJ074331	PCMMMMY 	C37H59N7O9S5	905.2978	NA	PeJP	NA	NA
+PJ074332	GPTCCCHW 	C37H51N11O10S3	905.2983	NA	PeJP	NA	NA
+PJ074333	GSSSSDDDH 	C32H47N11O20	905.2999	NA	PeJP	NA	NA
+PJ074334	GGGGGGGDDEE 	C32H47N11O20	905.3	NA	PeJP	NA	NA
+PJ074335	GSNDDMMH 	C33H51N11O15S2	905.3008	NA	PeJP	NA	NA
+PJ074336	TMMMMMM 	C34H63N7O9S6	905.3012	NA	PeJP	NA	NA
+PJ074337	CCCQMRY 	C34H55N11O10S4	905.3017	NA	PeJP	NA	NA
+PJ074338	CCCHFFF 	C42H51N9O8S3	905.3023	NA	PeJP	NA	NA
+PJ074339	GSPDDDDW 	C37H47N9O18	905.304	NA	PeJP	NA	NA
+PJ074340	GSSTCCYW 	C38H51N9O13S2	905.3048	NA	PeJP	NA	NA
+PJ074341	GCCCNNHR 	C31H51N15O11S3	905.3055	NA	PeJP	NA	NA
+PJ074342	GSSSSSCEY 	C34H51N9O18S	905.3073	NA	PeJP	NA	NA
+PJ074343	GSSCQMMY 	C35H55N9O13S3	905.3082	NA	PeJP	NA	NA
+PJ074344	DDDMHHH 	C35H47N13O14S	905.3087	NA	PeJP	NA	NA
+PJ074345	SNNNNNDD 	C31H47N13O19	905.3111	NA	PeJP	NA	NA
+PJ074346	GGSNNNNDD 	C31H47N13O19	905.3112	NA	PeJP	NA	NA
+PJ074347	GDEEMYY 	C39H51N7O16S	905.3113	NA	PeJP	NA	NA
+PJ074348	GSCCDEHR 	C32H51N13O14S2	905.312	NA	PeJP	NA	NA
+PJ074349	GGGGGGGGPCCQ 	C32H51N13O14S2	905.3121	NA	PeJP	NA	NA
+PJ074350	PCDMMFY 	C40H55N7O11S3	905.3122	NA	PeJP	NA	NA
+PJ074351	CCCCRRY 	C33H55N13O9S4	905.3129	NA	PeJP	NA	NA
+PJ074352	NNNDDEW 	C36H47N11O17	905.3152	NA	PeJP	NA	NA
+PJ074353	AEMMMMY 	C37H59N7O11S4	905.3156	NA	PeJP	NA	NA
+PJ074354	SCNEMHW 	C37H51N11O12S2	905.316	NA	PeJP	NA	NA
+PJ074355	GGSCEMHW 	C37H51N11O12S2	905.3161	NA	PeJP	NA	NA
+MJ097394	Sulfactin 	C38H55N11O7S4	905.316875	NA	MeJP	NA	NA
+PJ074356	SSSNDEMH 	C33H51N11O17S	905.3185	NA	PeJP	NA	NA
+PJ074357	GPCDDDER 	C33H51N11O17S	905.3186	NA	PeJP	NA	NA
+PJ074358	GSSCCMRY 	C34H55N11O12S3	905.3194	NA	PeJP	NA	NA
+PJ074359	GSCNDHHH 	C34H47N15O13S	905.3199	NA	PeJP	NA	NA
+PJ074360	PPCCDWW 	C42H51N9O10S2	905.3201	NA	PeJP	NA	NA
+PJ074361	SCNQEYY 	C38H51N9O15S	905.3225	NA	PeJP	NA	NA
+PJ074362	SSSSSCYW 	C38H51N9O15S	905.3226	NA	PeJP	NA	NA
+PJ074363	TCCCKYW 	C39H55N9O10S3	905.3234	NA	PeJP	NA	NA
+PJ074364	GGGGCMMFF 	C39H55N9O10S3	905.3235	NA	PeJP	NA	NA
+PJ074365	SSSSSSSDY 	C34H51N9O20	905.3251	NA	PeJP	NA	NA
+PJ074366	SSSSNMMY 	C35H55N9O15S2	905.3259	NA	PeJP	NA	NA
+PJ074367	GGSPPDDMM 	C35H55N9O15S2	905.326	NA	PeJP	NA	NA
+PJ074368	GPNDDDHH 	C35H47N13O16	905.3264	NA	PeJP	NA	NA
+PJ074369	DEMYYW 	C43H51N7O13S	905.3266	NA	PeJP	NA	NA
+PJ074370	CCQKMMY 	C36H59N9O10S4	905.3268	NA	PeJP	NA	NA
+PJ074371	SCCDHRW 	C36H51N13O11S2	905.3273	NA	PeJP	NA	NA
+PJ074372	SSEEEYY 	C39H51N7O18	905.3291	NA	PeJP	NA	NA
+PJ074373	SSSCDDHR 	C32H51N13O16S	905.3298	NA	PeJP	NA	NA
+PJ074374	SPDMMYY 	C40H55N7O13S2	905.33	NA	PeJP	NA	NA
+PJ074375	GNNDDWW 	C40H47N11O14	905.3304	NA	PeJP	NA	NA
+PJ074376	GGGGGDDWW 	C40H47N11O14	905.3305	NA	PeJP	NA	NA
+PJ074377	CNDMMHR 	C33H55N13O11S3	905.3306	NA	PeJP	NA	NA
+PJ074378	GGCDMMHR 	C33H55N13O11S3	905.3307	NA	PeJP	NA	NA
+PJ074379	PCMMMFF 	C41H59N7O8S4	905.3308	NA	PeJP	NA	NA
+PJ074380	GSCMHWW 	C41H51N11O9S2	905.3313	NA	PeJP	NA	NA
+PJ074381	TTEMMMY 	C37H59N7O13S3	905.3333	NA	PeJP	NA	NA
+PJ074382	PCDDDRW 	C37H51N11O14S	905.3338	NA	PeJP	NA	NA
+PJ074383	CLMMMMF 	C38H63N7O8S5	905.3342	NA	PeJP	NA	NA
+PJ074384	GNMMMHW 	C38H55N11O9S3	905.3347	NA	PeJP	NA	NA
+PJ074385	NDDEEER 	C33H51N11O19	905.3363	NA	PeJP	NA	NA
+PJ074386	SSSTCCRY 	C34H55N11O14S2	905.3372	NA	PeJP	NA	NA
+PJ074387	GPDDMWW 	C42H51N9O12S	905.3378	NA	PeJP	NA	NA
+PJ074388	CCCKMRY 	C35H59N11O9S4	905.338	NA	PeJP	NA	NA
+PJ074389	PPPCCCMR 	C35H59N11O9S4	905.3381	NA	PeJP	NA	NA
+PJ074390	CNQMHHH 	C35H51N15O10S2	905.3385	NA	PeJP	NA	NA
+PJ074391	GQEEEEW 	C38H51N9O17	905.3403	NA	PeJP	NA	NA
+PJ074392	GCNNNNDR 	C31H51N15O15S	905.341	NA	PeJP	NA	NA
+PJ074393	GGGGGGGGGCDR 	C31H51N15O15S	905.3411	NA	PeJP	NA	NA
+PJ074394	GSPPCEMW 	C39H55N9O12S2	905.3412	NA	PeJP	NA	NA
+PJ074395	CCCEHRR 	C32H55N15O10S3	905.3419	NA	PeJP	NA	NA
+PJ074396	GSSSSSTMY 	C35H55N9O17S	905.3437	NA	PeJP	NA	NA
+PJ074397	GPDEYYY 	C43H51N7O15	905.3443	NA	PeJP	NA	NA
+PJ074398	GDEEFFY 	C43H51N7O15	905.3444	NA	PeJP	NA	NA
+PJ074399	GSSCKMMY 	C36H59N9O12S3	905.3446	NA	PeJP	NA	NA
+PJ074400	NNNNNMW 	C36H51N13O13S	905.345	NA	PeJP	NA	NA
+PJ074401	GGGGGGNNMW 	C36H51N13O13S	905.3451	NA	PeJP	NA	NA
+PJ074402	EMMFYW 	C44H55N7O10S2	905.3452	NA	PeJP	NA	NA
+PJ074403	ACCMHRW 	C37H55N13O8S3	905.3459	NA	PeJP	NA	NA
+PJ074404	GSNNDDER 	C32H51N13O18	905.3475	NA	PeJP	NA	NA
+PJ074405	DDDDDRR 	C32H51N13O18	905.3476	NA	PeJP	NA	NA
+PJ074406	ATEEMYY 	C40H55N7O15S	905.3477	NA	PeJP	NA	NA
+PJ074407	GSSCEMHR 	C33H55N13O13S2	905.3484	NA	PeJP	NA	NA
+PJ074408	APMMMYY 	C41H59N7O10S3	905.3486	NA	PeJP	NA	NA
+PJ074409	SSTCHWW 	C41H51N11O11S	905.3491	NA	PeJP	NA	NA
+PJ074410	CCNHHHR 	C34H51N17O9S2	905.3498	NA	PeJP	NA	NA
+PJ074411	LEEEEEE 	C36H55N7O20	905.3502	NA	PeJP	NA	NA
+PJ074412	SNNQEEW 	C37H51N11O16	905.3515	NA	PeJP	NA	NA
+PJ074413	GDDEERW 	C37H51N11O16	905.3516	NA	PeJP	NA	NA
+PJ074414	SLMMMMY 	C38H63N7O10S4	905.3519	NA	PeJP	NA	NA
+PJ074415	VTMMMMY 	C38H63N7O10S4	905.352	NA	PeJP	NA	NA
+PJ074416	SSQMMHW 	C38H55N11O11S2	905.3524	NA	PeJP	NA	NA
+PJ074417	GGGGGGPMMW 	C38H55N11O11S2	905.3525	NA	PeJP	NA	NA
+PJ074418	PCEWWW 	C46H51N9O9S	905.3531	NA	PeJP	NA	NA
+PJ074419	GSPDDEMR 	C34H55N11O16S	905.3549	NA	PeJP	NA	NA
+PJ074420	GGGGAAQEEM 	C34H55N11O16S	905.355	NA	PeJP	NA	NA
+PJ074421	QEEEWW 	C42H51N9O14	905.3556	NA	PeJP	NA	NA
+PJ074422	GPPCDMMR 	C35H59N11O11S3	905.3558	NA	PeJP	NA	NA
+PJ074423	GSSNMHHH 	C35H51N15O12S	905.3563	NA	PeJP	NA	NA
+PJ074424	SPPCMWW 	C43H55N9O9S2	905.3564	NA	PeJP	NA	NA
+PJ074425	GCCKFYW 	C43H55N9O9S2	905.3565	NA	PeJP	NA	NA
+MJ097395	Liposidomycin; Liposidomycin A-I, 3-O-Deacyl 	C38H59N5O18S	905.35758	NA	MeJP	NA	NA
+PJ074426	SSQQMYY 	C39H55N9O14S	905.3589	NA	PeJP	NA	NA
+PJ074427	SPQEEMW 	C39H55N9O14S	905.359	NA	PeJP	NA	NA
+PJ074428	PDYYYW 	C47H51N7O12	905.3596	NA	PeJP	NA	NA
+PJ074429	PPNMMMW 	C40H59N9O9S3	905.3598	NA	PeJP	NA	NA
+PJ074430	PCEHHHF 	C40H51N13O10S	905.3603	NA	PeJP	NA	NA
+PJ074431	SSSSSSTTY 	C35H55N9O19	905.3614	NA	PeJP	NA	NA
+PJ074432	NKEEEEE 	C35H55N9O19	905.3615	NA	PeJP	NA	NA
+PJ074433	SSSTCKMY 	C36H59N9O14S2	905.3623	NA	PeJP	NA	NA
+PJ074434	SNNDDRW 	C36H51N13O15	905.3628	NA	PeJP	NA	NA
+PJ074435	PPTCYYY 	C44H55N7O12S	905.363	NA	PeJP	NA	NA
+PJ074436	CCKKMMY 	C37H63N9O9S4	905.3632	NA	PeJP	NA	NA
+PJ074437	SSCMHRW 	C37H55N13O10S2	905.3637	NA	PeJP	NA	NA
+PJ074438	SDHHHHH 	C37H47N17O11	905.3641	NA	PeJP	NA	NA
+PJ074439	CQHFWW 	C45H51N11O8S	905.3643	NA	PeJP	NA	NA
+PJ074440	TTTEEYY 	C40H55N7O17	905.3655	NA	PeJP	NA	NA
+PJ074441	SSSSDMHR 	C33H55N13O15S	905.3662	NA	PeJP	NA	NA
+PJ074442	GLEMMYY 	C41H59N7O12S2	905.3663	NA	PeJP	NA	NA
+PJ074443	DDERWW 	C41H51N11O13	905.3668	NA	PeJP	NA	NA
+PJ074444	SNMMMHR 	C34H59N13O10S3	905.367	NA	PeJP	NA	NA
+PJ074445	GGACCCKKH 	C34H59N13O10S3	905.3671	NA	PeJP	NA	NA
+PJ074446	GMMHHFF 	C42H55N11O8S2	905.3677	NA	PeJP	NA	NA
+PJ074447	SPDDMRW 	C38H55N11O13S	905.3702	NA	PeJP	NA	NA
+PJ074448	AEEWWW 	C46H51N9O11	905.3708	NA	PeJP	NA	NA
+PJ074449	ACKMMHW 	C39H59N11O8S3	905.3711	NA	PeJP	NA	NA
+MJ097396	6'''-O-?-D-Mannopyranosylmannosidostreptomycin 	C33H59N7O22	905.371316	NA	MeJP	NA	NA
+MJ097397	6'''-O-?-D-Mannopyranosylmannosidostreptomycin 	C33H59N7O22	905.371316	NA	MeJP	NA	NA
+PJ074450	SQEEEER 	C34H55N11O18	905.3727	NA	PeJP	NA	NA
+PJ074451	PNEEMMR 	C35H59N11O13S2	905.3736	NA	PeJP	NA	NA
+PJ074452	SSSSQHHH 	C35H51N15O14	905.374	NA	PeJP	NA	NA
+PJ074453	GGGGGAQEHH 	C35H51N15O14	905.3741	NA	PeJP	NA	NA
+PJ074454	GPTEMWW 	C43H55N9O11S	905.3742	NA	PeJP	NA	NA
+PJ074455	GPPCCHHR 	C36H55N15O9S2	905.3749	NA	PeJP	NA	NA
+PJ074456	GKEEEEW 	C39H55N9O16	905.3767	NA	PeJP	NA	NA
+PJ074457	CNNDERR 	C32H55N15O14S	905.3774	NA	PeJP	NA	NA
+PJ074458	PVNEMMW 	C40H59N9O11S2	905.3776	NA	PeJP	NA	NA
+PJ074459	NNNNHFF 	C40H51N13O12	905.378	NA	PeJP	NA	NA
+PJ074460	SPNEHHW 	C40H51N13O12	905.3781	NA	PeJP	NA	NA
+PJ074461	PMFYYW 	C48H55N7O9S	905.3782	NA	PeJP	NA	NA
+PJ074462	TCCMHRR 	C33H59N15O9S3	905.3783	NA	PeJP	NA	NA
+PJ074463	GSPKEEEM 	C36H59N9O16S	905.3801	NA	PeJP	NA	NA
+PJ074464	APTEYYY 	C44H55N7O14	905.3807	NA	PeJP	NA	NA
+PJ074465	APPTQMMM 	C37H63N9O11S3	905.3809	NA	PeJP	NA	NA
+PJ074466	GPPDKMMM 	C37H63N9O11S3	905.381	NA	PeJP	NA	NA
+PJ074467	GNNEMRW 	C37H55N13O12S	905.3814	NA	PeJP	NA	NA
+PJ074468	GGGGGGGACKW 	C37H55N13O12S	905.3815	NA	PeJP	NA	NA
+PJ074469	LMMYYW 	C45H59N7O9S2	905.3816	NA	PeJP	NA	NA
+PJ074470	SNQWWW 	C45H51N11O10	905.3821	NA	PeJP	NA	NA
+PJ074471	AMHHHHH 	C38H51N17O8S	905.3828	NA	PeJP	NA	NA
+PJ074472	SDDEERR 	C33H55N13O17	905.3839	NA	PeJP	NA	NA
+PJ074473	GGGGGGGGSSKE 	C33H55N13O17	905.384	NA	PeJP	NA	NA
+PJ074474	STLEMYY 	C41H59N7O14S	905.3841	NA	PeJP	NA	NA
+PJ074475	PCDEMRR 	C34H59N13O12S2	905.3848	NA	PeJP	NA	NA
+PJ074476	ALMMMFY 	C42H63N7O9S3	905.385	NA	PeJP	NA	NA
+PJ074477	NNNDHHR 	C34H51N17O13	905.3853	NA	PeJP	NA	NA
+PJ074478	QQQMWW 	C42H55N11O10S	905.3854	NA	PeJP	NA	NA
+PJ074479	GGAAQMWW 	C42H55N11O10S	905.3855	NA	PeJP	NA	NA
+PJ074480	ASEEERW 	C38H55N11O15	905.3879	NA	PeJP	NA	NA
+PJ074481	GTEEERW 	C38H55N11O15	905.388	NA	PeJP	NA	NA
+PJ074482	GPEMMRW 	C39H59N11O10S2	905.3888	NA	PeJP	NA	NA
+PJ074483	GNQQHHW 	C39H51N15O11	905.3893	NA	PeJP	NA	NA
+PJ074484	PTMWWW 	C47H55N9O8S	905.3895	NA	PeJP	NA	NA
+PJ074485	VNEEEMR 	C35H59N11O15S	905.3913	NA	PeJP	NA	NA
+PJ074486	KEEEWW 	C43H55N9O13	905.392	NA	PeJP	NA	NA
+PJ074487	GSPPMMMR 	C36H63N11O10S3	905.3922	NA	PeJP	NA	NA
+PJ074488	GCNDRRW 	C36H55N15O11S	905.3927	NA	PeJP	NA	NA
+PJ074489	GPVMMWW 	C44H59N9O8S2	905.3928	NA	PeJP	NA	NA
+PJ074490	GSPHHWW 	C44H51N13O9	905.3933	NA	PeJP	NA	NA
+PJ074491	SSSNNNQR 	C32H55N15O16	905.3951	NA	PeJP	NA	NA
+PJ074492	GSSNDDRR 	C32H55N15O16	905.3952	NA	PeJP	NA	NA
+PJ074493	SPKEEMW 	C40H59N9O13S	905.3953	NA	PeJP	NA	NA
+PJ074494	GAALEEMW 	C40H59N9O13S	905.3954	NA	PeJP	NA	NA
+PJ074495	VEFYYW 	C48H55N7O11	905.396	NA	PeJP	NA	NA
+PJ074496	CCKKMFF 	C41H63N9O8S3	905.3962	NA	PeJP	NA	NA
+PJ074497	NNMRWW 	C41H55N13O9S	905.3967	NA	PeJP	NA	NA
+PJ074498	DKKEEEE 	C36H59N9O18	905.3978	NA	PeJP	NA	NA
+PJ074499	AATKEEEE 	C36H59N9O18	905.3979	NA	PeJP	NA	NA
+PJ074500	AAPKEEMM 	C37H63N9O13S2	905.3987	NA	PeJP	NA	NA
+PJ074501	SSNQERW 	C37H55N13O14	905.3992	NA	PeJP	NA	NA
+PJ074502	GPLMYYY 	C45H59N7O11S	905.3994	NA	PeJP	NA	NA
+PJ074503	LLMMMMH 	C38H67N9O8S4	905.3996	NA	PeJP	NA	NA
+PJ074504	PCCNKRW 	C38H59N13O9S2	905.4	NA	PeJP	NA	NA
+PJ074505	GGPCCKRW 	C38H59N13O9S2	905.4001	NA	PeJP	NA	NA
+PJ074506	TTHHHHH 	C38H51N17O10	905.4005	NA	PeJP	NA	NA
+PJ074507	CKHFWW 	C46H55N11O7S	905.4007	NA	PeJP	NA	NA
+PJ074508	SSSTTMHR 	C34H59N13O14S	905.4025	NA	PeJP	NA	NA
+PJ074509	GEEEMRR 	C34H59N13O14S	905.4026	NA	PeJP	NA	NA
+PJ074510	SVLMMYY 	C42H63N7O11S2	905.4027	NA	PeJP	NA	NA
+PJ074511	TEERWW 	C42H55N11O12	905.4032	NA	PeJP	NA	NA
+PJ074512	TCKMMHR 	C35H63N13O9S3	905.4034	NA	PeJP	NA	NA
+PJ074513	PMMRWW 	C43H59N11O7S2	905.4041	NA	PeJP	NA	NA
+PJ074514	GVEEMRW 	C39H59N11O12S	905.4066	NA	PeJP	NA	NA
+PJ074515	SLEWWW 	C47H55N9O10	905.4072	NA	PeJP	NA	NA
+PJ074516	APCHHRW 	C40H55N15O8S	905.4079	NA	PeJP	NA	NA
+PJ074517	SKEEEER 	C35H59N11O17	905.4091	NA	PeJP	NA	NA
+PJ074518	PDKEMMR 	C36H63N11O12S2	905.4099	NA	PeJP	NA	NA
+PJ074519	GSPVEMMR 	C36H63N11O12S2	905.41	NA	PeJP	NA	NA
+PJ074520	NNNNQFR 	C36H55N15O13	905.4104	NA	PeJP	NA	NA
+PJ074521	GGGGGGGGGAFR 	C36H55N15O13	905.4105	NA	PeJP	NA	NA
+PJ074522	AALEMWW 	C44H59N9O10S	905.4106	NA	PeJP	NA	NA
+PJ074523	PFFFYW 	C52H55N7O8	905.4112	NA	PeJP	NA	NA
+PJ074524	GCMHFRR 	C37H59N15O8S2	905.4113	NA	PeJP	NA	NA
+PJ074525	SVKEEEW 	C40H59N9O15	905.4131	NA	PeJP	NA	NA
+PJ074526	SNNEMRR 	C33H59N15O13S	905.4138	NA	PeJP	NA	NA
+PJ074527	PVDKMMW 	C41H63N9O10S2	905.414	NA	PeJP	NA	NA
+PJ074528	GSSQRWW 	C41H55N13O11	905.4144	NA	PeJP	NA	NA
+PJ074529	GGGGGPRYW 	C41H55N13O11	905.4145	NA	PeJP	NA	NA
+PJ074530	LMFFYW 	C49H59N7O8S	905.4146	NA	PeJP	NA	NA
+PJ074531	LQKEEEM 	C37H63N9O15S	905.4165	NA	PeJP	NA	NA
+PJ074532	GVLEYYY 	C45H59N7O13	905.4171	NA	PeJP	NA	NA
+PJ074533	APPTKMMM 	C38H67N9O10S3	905.4173	NA	PeJP	NA	NA
+PJ074534	GGGPLLMMM 	C38H67N9O10S3	905.4174	NA	PeJP	NA	NA
+PJ074535	EEMRRW 	C38H59N13O11S	905.4178	NA	PeJP	NA	NA
+PJ074536	ALMMFFF 	C46H63N7O8S2	905.418	NA	PeJP	NA	NA
+PJ074537	SNKWWW 	C46H55N11O9	905.4185	NA	PeJP	NA	NA
+PJ074538	STEEERR 	C34H59N13O16	905.4203	NA	PeJP	NA	NA
+PJ074539	SPEMMRR 	C35H63N13O11S2	905.4212	NA	PeJP	NA	NA
+PJ074540	SNQQHHR 	C35H55N17O12	905.4216	NA	PeJP	NA	NA
+PJ074541	GDEHHRR 	C35H55N17O12	905.4217	NA	PeJP	NA	NA
+PJ074542	VEMRWW 	C43H59N11O9S	905.4218	NA	PeJP	NA	NA
+PJ074543	SSLEERW 	C39H59N11O14	905.4243	NA	PeJP	NA	NA
+PJ074544	GGGGAAPKEY 	C39H59N11O14	905.4244	NA	PeJP	NA	NA
+PJ074545	SCNDRRR 	C32H59N17O12S	905.425	NA	PeJP	NA	NA
+PJ074546	SPVMMRW 	C40H63N11O9S2	905.4252	NA	PeJP	NA	NA
+PJ074547	AAEHHRW 	C40H55N15O10	905.4257	NA	PeJP	NA	NA
+PJ074548	VVMWWW 	C48H59N9O7S	905.4259	NA	PeJP	NA	NA
+PJ074549	VDKEEMR 	C36H63N11O14S	905.4277	NA	PeJP	NA	NA
+PJ074550	ATTLEWW 	C44H59N9O12	905.4283	NA	PeJP	NA	NA
+PJ074551	SSVLEWW 	C44H59N9O12	905.4284	NA	PeJP	NA	NA
+PJ074552	PLQMMMR 	C37H67N11O9S3	905.4286	NA	PeJP	NA	NA
+PJ074553	GSNMRRW 	C37H59N15O10S	905.429	NA	PeJP	NA	NA
+PJ074554	GGGSMRRW 	C37H59N15O10S	905.4291	NA	PeJP	NA	NA
+PJ074555	LQHHWW 	C45H55N13O8	905.4297	NA	PeJP	NA	NA
+PJ074556	GSSSQERR 	C33H59N15O15	905.4315	NA	PeJP	NA	NA
+PJ074557	GGGGSSSNKR 	C33H59N15O15	905.4316	NA	PeJP	NA	NA
+PJ074558	ALKEEMW 	C41H63N9O12S	905.4317	NA	PeJP	NA	NA
+PJ074559	VLYYYW 	C49H59N7O10	905.4324	NA	PeJP	NA	NA
+PJ074560	CQKRWW 	C42H59N13O8S	905.4331	NA	PeJP	NA	NA
+PJ074561	GTTLKEEE 	C37H63N9O17	905.4342	NA	PeJP	NA	NA
+PJ074562	GPTLKEMM 	C38H67N9O12S2	905.4351	NA	PeJP	NA	NA
+PJ074563	SSNKERW 	C38H59N13O13	905.4356	NA	PeJP	NA	NA
+PJ074564	GLLMFYY 	C46H63N7O10S	905.4357	NA	PeJP	NA	NA
+PJ074565	PPCMFRR 	C39H63N13O8S2	905.4364	NA	PeJP	NA	NA
+PJ074566	DHHRRW 	C39H55N17O9	905.4369	NA	PeJP	NA	NA
+PJ074567	SVEEMRR 	C35H63N13O13S	905.4389	NA	PeJP	NA	NA
+PJ074568	GGGATKEMR 	C35H63N13O13S	905.439	NA	PeJP	NA	NA
+PJ074569	GSDKKWW 	C43H59N11O11	905.4396	NA	PeJP	NA	NA
+PJ074570	PCLMMRR 	C36H67N13O8S3	905.4398	NA	PeJP	NA	NA
+PJ074571	PTCHHRR 	C36H59N17O9S	905.4403	NA	PeJP	NA	NA
+PJ074572	SVQQKMW 	C40H63N11O11S	905.4429	NA	PeJP	NA	NA
+PJ074573	ATLEMRW 	C40H63N11O11S	905.443	NA	PeJP	NA	NA
+PJ074574	AAPLYWW 	C48H59N9O9	905.4436	NA	PeJP	NA	NA
+PJ074575	GCQMRRR 	C33H63N17O9S2	905.4437	NA	PeJP	NA	NA
+PJ074576	ATTTQQKE 	C36H63N11O16	905.4454	NA	PeJP	NA	NA
+PJ074577	GTTTLEER 	C36H63N11O16	905.4455	NA	PeJP	NA	NA
+PJ074578	VLQEMMR 	C37H67N11O11S2	905.4463	NA	PeJP	NA	NA
+PJ074579	GGGGGVLKMM 	C37H67N11O11S2	905.4464	NA	PeJP	NA	NA
+PJ074580	SSSQRRW 	C37H59N15O12	905.4468	NA	PeJP	NA	NA
+PJ074581	GTLLMWW 	C45H63N9O9S	905.447	NA	PeJP	NA	NA
+PJ074582	LFFFFW 	C53H59N7O7	905.4476	NA	PeJP	NA	NA
+PJ074583	TTLKEEW 	C41H63N9O14	905.4495	NA	PeJP	NA	NA
+PJ074584	SNDKMRR 	C34H63N15O12S	905.4502	NA	PeJP	NA	NA
+PJ074585	VVLQMMW 	C42H67N9O9S2	905.4503	NA	PeJP	NA	NA
+PJ074586	PTLKMMW 	C42H67N9O9S2	905.4504	NA	PeJP	NA	NA
+PJ074587	GSSKRWW 	C42H59N13O10	905.4508	NA	PeJP	NA	NA
+PJ074588	SPTTLKEM 	C38H67N9O14S	905.4528	NA	PeJP	NA	NA
+PJ074589	LKKEEEM 	C38H67N9O14S	905.4529	NA	PeJP	NA	NA
+MJ097398	Dolastatin 13 	C46H63N7O12	905.45347	NA	MeJP	NA	NA
+PJ074590	ATLLYYY 	C46H63N7O12	905.4535	NA	PeJP	NA	NA
+PJ074591	GPVLKMMM 	C39H71N9O9S3	905.4537	NA	PeJP	NA	NA
+PJ074592	GTQKMRW 	C39H63N13O10S	905.4542	NA	PeJP	NA	NA
+PJ074593	PVRYWW 	C47H59N11O8	905.4548	NA	PeJP	NA	NA
+PJ074594	GPPFFRW 	C47H59N11O8	905.4549	NA	PeJP	NA	NA
+PJ074595	GSSDKKER 	C35H63N13O15	905.4567	NA	PeJP	NA	NA
+PJ074596	ALEMMRR 	C36H67N13O10S2	905.4576	NA	PeJP	NA	NA
+PJ074597	ATEHHRR 	C36H59N17O11	905.458	NA	PeJP	NA	NA
+PJ074598	GGGGTKHHR 	C36H59N17O11	905.4581	NA	PeJP	NA	NA
+PJ074599	QKKMWW 	C44H63N11O8S	905.4582	NA	PeJP	NA	NA
+PJ074600	TTTLERW 	C40H63N11O13	905.4607	NA	PeJP	NA	NA
+PJ074601	SSNMRRR 	C33H63N17O11S	905.4614	NA	PeJP	NA	NA
+PJ074602	GLLMMRW 	C41H67N11O8S2	905.4616	NA	PeJP	NA	NA
+PJ074603	NQFRRW 	C41H59N15O9	905.4621	NA	PeJP	NA	NA
+PJ074604	TLKEEMR 	C37H67N11O13S	905.4641	NA	PeJP	NA	NA
+PJ074605	STTLLWW 	C45H63N9O11	905.4647	NA	PeJP	NA	NA
+PJ074606	GAALLEFW 	C45H63N9O11	905.4648	NA	PeJP	NA	NA
+PJ074607	PLKMMMR 	C38H71N11O8S3	905.465	NA	PeJP	NA	NA
+PJ074608	GTCKRRW 	C38H63N15O9S	905.4654	NA	PeJP	NA	NA
+PJ074609	LKHHWW 	C46H59N13O7	905.4661	NA	PeJP	NA	NA
+PJ074610	GSSSKERR 	C34H63N15O14	905.4679	NA	PeJP	NA	NA
+PJ074611	SLLKEMW 	C42H67N9O11S	905.4681	NA	PeJP	NA	NA
+PJ074612	GLLFFFY 	C50H63N7O9	905.4688	NA	PeJP	NA	NA
+PJ074613	CKKRWW 	C43H63N13O7S	905.4695	NA	PeJP	NA	NA
+PJ074614	SSTLLKEE 	C38H67N9O16	905.4706	NA	PeJP	NA	NA
+PJ074615	AALLKEMM 	C39H71N9O11S2	905.4715	NA	PeJP	NA	NA
+PJ074616	SSDKKRW 	C39H63N13O12	905.4719	NA	PeJP	NA	NA
+PJ074617	GGTTTKRW 	C39H63N13O12	905.472	NA	PeJP	NA	NA
+PJ074618	GPHHFRR 	C40H59N17O8	905.4733	NA	PeJP	NA	NA
+PJ074619	TTLEMRR 	C36H67N13O12S	905.4753	NA	PeJP	NA	NA
+PJ074620	GTTKKWW 	C44H63N11O10	905.476	NA	PeJP	NA	NA
+PJ074621	GLMHHRR 	C37H63N17O8S	905.4767	NA	PeJP	NA	NA
+PJ074622	GSSSTRRR 	C33H63N17O13	905.4792	NA	PeJP	NA	NA
+PJ074623	STLLMRW 	C41H67N11O10S	905.4793	NA	PeJP	NA	NA
+PJ074624	GKKKEMW 	C41H67N11O10S	905.4794	NA	PeJP	NA	NA
+PJ074625	AALLFWW 	C49H63N9O8	905.48	NA	PeJP	NA	NA
+PJ074626	SSTTLLER 	C37H67N11O15	905.4818	NA	PeJP	NA	NA
+PJ074627	GSTKKKEE 	C37H67N11O15	905.4819	NA	PeJP	NA	NA
+PJ074628	VLKEMMR 	C38H71N11O10S2	905.4827	NA	PeJP	NA	NA
+PJ074629	SSSKRRW 	C38H63N15O11	905.4832	NA	PeJP	NA	NA
+PJ074630	PVVKMFW 	C46H67N9O8S	905.4834	NA	PeJP	NA	NA
+PJ074631	SSSTLLLW 	C42H67N9O13	905.4859	NA	PeJP	NA	NA
+PJ074632	STQKMRR 	C35H67N15O11S	905.4865	NA	PeJP	NA	NA
+PJ074633	TTNKMRR 	C35H67N15O11S	905.4866	NA	PeJP	NA	NA
+PJ074634	VVLKMMW 	C43H71N9O8S2	905.4867	NA	PeJP	NA	NA
+PJ074635	LEFRRW 	C43H63N13O9	905.4872	NA	PeJP	NA	NA
+PJ074636	ATTLLKEM 	C39H71N9O13S	905.4892	NA	PeJP	NA	NA
+PJ074637	GTKKMRW 	C40H67N13O9S	905.4906	NA	PeJP	NA	NA
+PJ074638	VLFRWW 	C48H63N11O7	905.4912	NA	PeJP	NA	NA
+PJ074639	GSTTKKER 	C36H67N13O14	905.4931	NA	PeJP	NA	NA
+PJ074640	SLLMMRR 	C37H71N13O9S2	905.4939	NA	PeJP	NA	NA
+PJ074641	GGVKKMMR 	C37H71N13O9S2	905.494	NA	PeJP	NA	NA
+PJ074642	QQRRRY 	C37H63N17O10	905.4944	NA	PeJP	NA	NA
+PJ074643	KKKMWW 	C45H67N11O7S	905.4946	NA	PeJP	NA	NA
+MJ097399	Kurstakin; Kurstakin D 	C41H67N11O12	905.497066	NA	MeJP	NA	NA
+PJ074644	STKKKEW 	C41H67N11O12	905.4971	NA	PeJP	NA	NA
+PJ074645	STCKRRR 	C34H67N17O10S	905.4978	NA	PeJP	NA	NA
+PJ074646	NKFRRW 	C42H63N15O8	905.4984	NA	PeJP	NA	NA
+PJ074647	GGKFRRW 	C42H63N15O8	905.4985	NA	PeJP	NA	NA
+PJ074648	SSSLLLMR 	C38H71N11O12S	905.5005	NA	PeJP	NA	NA
+PJ074649	SPLLKYW 	C46H67N9O10	905.5011	NA	PeJP	NA	NA
+PJ074650	PPLMHRR 	C39H67N15O8S	905.5018	NA	PeJP	NA	NA
+PJ074651	GSTTTKRR 	C35H67N15O13	905.5043	NA	PeJP	NA	NA
+PJ074652	AAPLLKMY 	C43H71N9O10S	905.5045	NA	PeJP	NA	NA
+PJ074653	GKKMMRR 	C36H71N15O8S2	905.5052	NA	PeJP	NA	NA
+PJ074654	GPQHRRR 	C36H63N19O9	905.5057	NA	PeJP	NA	NA
+PJ074655	TTTTLLKE 	C39H71N9O15	905.507	NA	PeJP	NA	NA
+PJ074656	GTLLLKMM 	C40H75N9O10S2	905.5079	NA	PeJP	NA	NA
+PJ074657	STTKKRW 	C40H67N13O11	905.5083	NA	PeJP	NA	NA
+PJ074658	GGGGVLKRY 	C40H67N13O11	905.5084	NA	PeJP	NA	NA
+PJ074659	SKKKEMR 	C37H71N13O11S	905.5117	NA	PeJP	NA	NA
+PJ074660	GVLLRYW 	C45H67N11O9	905.5124	NA	PeJP	NA	NA
+PJ074661	SVKKKMW 	C42H71N11O9S	905.5157	NA	PeJP	NA	NA
+PJ074662	TTTTTLLR 	C38H71N11O14	905.5182	NA	PeJP	NA	NA
+PJ074663	LQKKKMM 	C39H75N11O9S2	905.5191	NA	PeJP	NA	NA
+PJ074664	GVQKRRY 	C39H67N15O10	905.5196	NA	PeJP	NA	NA
+PJ074665	LLLQKEY 	C43H71N9O12	905.5222	NA	PeJP	NA	NA
+PJ074666	GALLLKEY 	C43H71N9O12	905.5223	NA	PeJP	NA	NA
+PJ074667	STKKMRR 	C36H71N15O10S	905.5229	NA	PeJP	NA	NA
+PJ074668	LLRRYW 	C44H67N13O8	905.5236	NA	PeJP	NA	NA
+PJ074669	STTLLLKM 	C40H75N9O12S	905.5256	NA	PeJP	NA	NA
+PJ074670	ALLMFRR 	C41H71N13O8S	905.527	NA	PeJP	NA	NA
+PJ074671	SSSTLKKR 	C37H71N13O13	905.5295	NA	PeJP	NA	NA
+PJ074672	CLKKKMR 	C38H75N13O8S2	905.5303	NA	PeJP	NA	NA
+PJ074673	QKRRRY 	C38H67N17O9	905.5308	NA	PeJP	NA	NA
+PJ074674	VVLKERY 	C42H71N11O11	905.5335	NA	PeJP	NA	NA
+PJ074675	GTTLKKKM 	C39H75N11O11S	905.5369	NA	PeJP	NA	NA
+PJ074676	ALLLKYW 	C47H71N9O9	905.5375	NA	PeJP	NA	NA
+PJ074677	AALLLKMF 	C44H75N9O9S	905.5409	NA	PeJP	NA	NA
+PJ074678	GPKHRRR 	C37H67N19O8	905.5421	NA	PeJP	NA	NA
+PJ074679	SVLLRRY 	C41H71N13O10	905.5447	NA	PeJP	NA	NA
+PJ074680	GSCKKKKK 	C38H75N13O10S	905.5481	NA	PeJP	NA	NA
+PJ074681	AVKKKFW 	C46H71N11O8	905.5487	NA	PeJP	NA	NA
+PJ074682	GLKKKFW 	C46H71N11O8	905.5488	NA	PeJP	NA	NA
+PJ074683	VLLKMFR 	C43H75N11O8S	905.5521	NA	PeJP	NA	NA
+PJ074684	STTTLKKK 	C39H75N11O13	905.5546	NA	PeJP	NA	NA
+PJ074685	LKKKKMM 	C40H79N11O8S2	905.5555	NA	PeJP	NA	NA
+PJ074686	GVKKRRY 	C40H71N15O9	905.556	NA	PeJP	NA	NA
+PJ074687	LLLKKEY 	C44H75N9O11	905.5586	NA	PeJP	NA	NA
+PJ074688	PPPIILKE 	C44H75N9O11	905.5587	NA	PeJP	NA	NA
+PJ074689	KKRRRY 	C39H71N17O8	905.5672	NA	PeJP	NA	NA
+PJ074690	TLLLKRY 	C43H75N11O10	905.5699	NA	PeJP	NA	NA
+PJ074691	ALKKKRY 	C42H75N13O9	905.5811	NA	PeJP	NA	NA
+PJ074692	VLLLHRR 	C41H75N15O8	905.5923	NA	PeJP	NA	NA
+PJ074693	PPLLLLLQ 	C45H79N9O10	905.595	NA	PeJP	NA	NA
+PJ074694	VLKKKKY 	C44H79N11O9	905.6063	NA	PeJP	NA	NA
+PJ074695	PPLLLLLK 	C46H83N9O9	905.6314	NA	PeJP	NA	NA
+MJ097400	Quisqualin B 	C40H26O25	906.076316	NA	MeJP	NA	NA
+MJ097401	4'',6''-Hexahydroxydiphenoylsalidroside; (S)axial-form, 2'',3''-O-(3,4,5-Trihydroxybenzoyl) 	C42H34O23	906.149087	NA	MeJP	NA	NA
+MJ097402	Stenophynin B 	C42H34O23	906.149087	NA	MeJP	NA	NA
+MJ097403	Chondocurine, Di-Me ether; methiodide (1:2) 	C40H48I2N2O6	906.160174	NA	MeJP	NA	NA
+PJ074696	CCCCDDDM 	C29H46N8O15S5	906.1687	NA	PeJP	NA	NA
+PJ074697	GSCCCCCND 	C28H46N10O14S5	906.1799	NA	PeJP	NA	NA
+PJ074698	CCCCCNQM 	C29H50N10O11S6	906.1985	NA	PeJP	NA	NA
+PJ074699	SCCCDDMM 	C30H50N8O14S5	906.205	NA	PeJP	NA	NA
+PJ074700	CCCCCCNR 	C28H50N12O10S6	906.2098	NA	PeJP	NA	NA
+PJ074701	GSSCCCCNM 	C29H50N10O13S5	906.2163	NA	PeJP	NA	NA
+PJ074702	GCCCDDEY 	C33H46N8O16S3	906.2194	NA	PeJP	NA	NA
+PJ074703	PCCCCCEF 	C34H50N8O11S5	906.2203	NA	PeJP	NA	NA
+PJ074704	GCCCEMMM 	C31H54N8O11S6	906.2237	NA	PeJP	NA	NA
+PJ074705	SCCCCDHH 	C31H46N12O12S4	906.2241	NA	PeJP	NA	NA
+PJ074706	PCCCDDDH 	C32H46N10O15S3	906.2307	NA	PeJP	NA	NA
+PJ074707	SSSSCCCCQ 	C29H50N10O15S4	906.234	NA	PeJP	NA	NA
+PJ074708	CCCDDYW 	C37H46N8O13S3	906.2347	NA	PeJP	NA	NA
+PJ074709	CCCCCNKM 	C30H54N10O10S6	906.2349	NA	PeJP	NA	NA
+PJ074710	SSCCDDDY 	C33H46N8O18S2	906.2372	NA	PeJP	NA	NA
+PJ074711	SPCCCCEY 	C34H50N8O13S4	906.2381	NA	PeJP	NA	NA
+PJ074712	CCCMMMW 	C35H54N8O8S6	906.2389	NA	PeJP	NA	NA
+PJ074713	SSCCDMMM 	C31H54N8O13S5	906.2414	NA	PeJP	NA	NA
+PJ074714	ACCCCMHH 	C32H50N12O9S5	906.2428	NA	PeJP	NA	NA
+PJ074715	GCDDDDMH 	C32H46N10O17S2	906.2484	NA	PeJP	NA	NA
+PJ074716	GCCCNNMY 	C33H50N10O12S4	906.2493	NA	PeJP	NA	NA
+PJ074717	GSSSSSSCCC 	C29H50N10O17S3	906.2518	NA	PeJP	NA	NA
+PJ074718	GSTCCCCCK 	C30H54N10O12S5	906.2527	NA	PeJP	NA	NA
+PJ074719	CCCDMFW 	C38H50N8O10S4	906.2533	NA	PeJP	NA	NA
+PJ074720	GSCCDEMY 	C34H50N8O15S3	906.2558	NA	PeJP	NA	NA
+PJ074721	GPCCCMMY 	C35H54N8O10S5	906.2567	NA	PeJP	NA	NA
+PJ074722	SCCNNDDH 	C31H46N12O16S2	906.2597	NA	PeJP	NA	NA
+PJ074723	GTCCMMMM 	C32H58N8O10S6	906.2601	NA	PeJP	NA	NA
+PJ074724	SSCCCMHH 	C32H50N12O11S4	906.2605	NA	PeJP	NA	NA
+PJ074725	CCDDEHW 	C36H46N10O14S2	906.2637	NA	PeJP	NA	NA
+PJ074726	SSCDDDEH 	C32H46N10O19S	906.2662	NA	PeJP	NA	NA
+PJ074727	SSCCCNQY 	C33H50N10O14S3	906.267	NA	PeJP	NA	NA
+PJ074728	GGGGSTCCCY 	C33H50N10O14S3	906.2671	NA	PeJP	NA	NA
+MJ097404	Ampelopsin H 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097405	Flexuosol A 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097406	Hemsleyanol C 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097407	Heyneanol A 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097408	Hopeaphenol 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097409	Miyabenol A 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097410	Vatdiospyroidol 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097411	Vaticaffinol 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097412	Vaticaphenol A 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097413	Viniferol A 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097414	Vitisin A 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097415	Vitisin B 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097416	Vitisin D 	C56H42O12	906.267626	NA	MeJP	NA	NA
+MJ097417	r-2-Viniferin 	C56H42O12	906.267626	NA	MeJP	NA	NA
+PJ074729	CNDDDYY 	C37H46N8O17S	906.2702	NA	PeJP	NA	NA
+PJ074730	SSSSCCCCK 	C30H54N10O14S4	906.2704	NA	PeJP	NA	NA
+PJ074731	SCCDMYW 	C38H50N8O12S3	906.2711	NA	PeJP	NA	NA
+PJ074732	SPDDDDDE 	C33H46N8O22	906.2727	NA	PeJP	NA	NA
+PJ074733	SSSCDDMY 	C34H50N8O17S2	906.2736	NA	PeJP	NA	NA
+PJ074734	CNDMMMY 	C35H54N8O12S4	906.2744	NA	PeJP	NA	NA
+PJ074735	SSSCMMMM 	C32H58N8O12S5	906.2778	NA	PeJP	NA	NA
+PJ074736	GCCNNEMH 	C32H50N12O13S3	906.2783	NA	PeJP	NA	NA
+PJ074737	GCCCNNFF 	C37H50N10O11S3	906.2823	NA	PeJP	NA	NA
+PJ074738	GNNDDDEE 	C32H46N10O21	906.2839	NA	PeJP	NA	NA
+PJ074739	GGGNDDDEE 	C32H46N10O21	906.284	NA	PeJP	NA	NA
+PJ074740	GSSSSCCNY 	C33H50N10O16S2	906.2848	NA	PeJP	NA	NA
+PJ074741	CCCEMRY 	C34H54N10O11S4	906.2857	NA	PeJP	NA	NA
+PJ074742	GSPCCDYY 	C38H50N8O14S2	906.2888	NA	PeJP	NA	NA
+PJ074743	GCCCNDHR 	C31H50N14O12S3	906.2895	NA	PeJP	NA	NA
+PJ074744	ACCMMYW 	C39H54N8O9S4	906.2897	NA	PeJP	NA	NA
+PJ074745	GPDDDEEM 	C34H50N8O19S	906.2913	NA	PeJP	NA	NA
+PJ074746	GSSCEMMY 	C35H54N8O14S3	906.2922	NA	PeJP	NA	NA
+PJ074747	CNMMMMF 	C36H58N8O9S5	906.2931	NA	PeJP	NA	NA
+PJ074748	CCNNMHW 	C36H50N12O10S3	906.2935	NA	PeJP	NA	NA
+PJ074749	GGGGCCMHW 	C36H50N12O10S3	906.2936	NA	PeJP	NA	NA
+PJ074750	SNNNNDDD 	C31H46N12O20	906.2952	NA	PeJP	NA	NA
+PJ074751	SSCNNDMH 	C32H50N12O15S2	906.296	NA	PeJP	NA	NA
+PJ074752	GGGGSSCDMH 	C32H50N12O15S2	906.2961	NA	PeJP	NA	NA
+PJ074753	PCCCCNKH 	C33H54N12O10S4	906.2969	NA	PeJP	NA	NA
+PJ074754	NNDDDEW 	C36H46N10O18	906.2992	NA	PeJP	NA	NA
+PJ074755	CCNNQYY 	C37H50N10O13S2	906.3	NA	PeJP	NA	NA
+PJ074756	SCDEMHW 	C37H50N10O13S2	906.3001	NA	PeJP	NA	NA
+PJ074757	PCCMMHW 	C38H54N10O8S4	906.3009	NA	PeJP	NA	NA
+PJ074758	SSSDDEMH 	C33H50N10O18S	906.3026	NA	PeJP	NA	NA
+PJ074759	SSCCCNKY 	C34H54N10O13S3	906.3034	NA	PeJP	NA	NA
+PJ074760	GGGGPPCCEM 	C34H54N10O13S3	906.3035	NA	PeJP	NA	NA
+PJ074761	GSCDDHHH 	C34H46N14O14S	906.3039	NA	PeJP	NA	NA
+PJ074762	GCCEFYW 	C42H50N8O11S2	906.3041	NA	PeJP	NA	NA
+PJ074763	APCCCHHH 	C35H50N14O9S3	906.3048	NA	PeJP	NA	NA
+PJ074764	PDDDEMW 	C38H50N8O16S	906.3066	NA	PeJP	NA	NA
+PJ074765	SSCMMYW 	C39H54N8O11S3	906.3074	NA	PeJP	NA	NA
+PJ074766	GAPCCMYY 	C39H54N8O11S3	906.3075	NA	PeJP	NA	NA
+PJ074767	NEEEEEE 	C34H50N8O21	906.3091	NA	PeJP	NA	NA
+PJ074768	SSSSDMMY 	C35H54N8O16S2	906.3099	NA	PeJP	NA	NA
+PJ074769	SPPDDDMM 	C35H54N8O16S2	906.31	NA	PeJP	NA	NA
+PJ074770	GPDDDDHH 	C35H46N12O17	906.3104	NA	PeJP	NA	NA
+PJ074771	SNMMMMY 	C36H58N8O11S4	906.3108	NA	PeJP	NA	NA
+PJ074772	GSSCCQHW 	C36H50N12O12S2	906.3113	NA	PeJP	NA	NA
+PJ074773	GSSSSCNEH 	C32H50N12O17S	906.3138	NA	PeJP	NA	NA
+PJ074774	GNDDDWW 	C40H46N10O15	906.3145	NA	PeJP	NA	NA
+PJ074775	CDDMMHR 	C33H54N12O12S3	906.3147	NA	PeJP	NA	NA
+PJ074776	PCCDHFW 	C41H50N10O10S2	906.3153	NA	PeJP	NA	NA
+PJ074777	GSPCNDEW 	C37H50N10O15S	906.3178	NA	PeJP	NA	NA
+PJ074778	GDMMMHW 	C38H54N10O10S3	906.3187	NA	PeJP	NA	NA
+PJ074779	CCFYWW 	C46H50N8O8S2	906.3193	NA	PeJP	NA	NA
+PJ074780	DDDEEER 	C33H50N10O20	906.3203	NA	PeJP	NA	NA
+PJ074781	GSSEEMMH 	C34H54N10O15S2	906.3212	NA	PeJP	NA	NA
+PJ074782	GSCEYYW 	C42H50N8O13S	906.3218	NA	PeJP	NA	NA
+PJ074783	GGCDDFFF 	C42H50N8O13S	906.3219	NA	PeJP	NA	NA
+PJ074784	TCCMMRY 	C35H58N10O10S4	906.3221	NA	PeJP	NA	NA
+PJ074785	CNEMHHH 	C35H50N14O11S2	906.3225	NA	PeJP	NA	NA
+PJ074786	ACCMFFW 	C43H54N8O8S3	906.3227	NA	PeJP	NA	NA
+PJ074787	GEEEEEW 	C38H50N8O18	906.3243	NA	PeJP	NA	NA
+PJ074788	GPPDDDEY 	C38H50N8O18	906.3244	NA	PeJP	NA	NA
+PJ074789	GCNNNDDR 	C31H50N14O16S	906.325	NA	PeJP	NA	NA
+PJ074790	GGGGGCNDDR 	C31H50N14O16S	906.3251	NA	PeJP	NA	NA
+PJ074791	GNEMMYY 	C39H54N8O13S2	906.3252	NA	PeJP	NA	NA
+PJ074792	GSCCNMHR 	C32H54N14O11S3	906.3259	NA	PeJP	NA	NA
+PJ074793	CCNHHFF 	C40H50N12O9S2	906.3265	NA	PeJP	NA	NA
+PJ074794	GGCCHHFF 	C40H50N12O9S2	906.3266	NA	PeJP	NA	NA
+PJ074795	GSPEEEEM 	C35H54N8O18S	906.3277	NA	PeJP	NA	NA
+PJ074796	GSSTMMMY 	C36H58N8O13S3	906.3286	NA	PeJP	NA	NA
+PJ074797	SSSSCNHW 	C36H50N12O14S	906.329	NA	PeJP	NA	NA
+PJ074798	GGSSSSCHW 	C36H50N12O14S	906.3291	NA	PeJP	NA	NA
+PJ074799	CCCQKHW 	C37H54N12O9S3	906.3299	NA	PeJP	NA	NA
+PJ074800	SSSSSSNDH 	C32H50N12O19	906.3315	NA	PeJP	NA	NA
+PJ074801	GSNDDDER 	C32H50N12O19	906.3316	NA	PeJP	NA	NA
+PJ074802	GPCNDDMR 	C33H54N12O14S2	906.3324	NA	PeJP	NA	NA
+PJ074803	GGGGGGGGPTCM 	C33H54N12O14S2	906.3325	NA	PeJP	NA	NA
+PJ074804	SPCNDWW 	C41H50N10O12S	906.3331	NA	PeJP	NA	NA
+PJ074805	CCDHHHR 	C34H50N16O10S2	906.3338	NA	PeJP	NA	NA
+PJ074806	SNNEEEW 	C37H50N10O17	906.3356	NA	PeJP	NA	NA
+PJ074807	SSEMMHW 	C38H54N10O12S2	906.3364	NA	PeJP	NA	NA
+PJ074808	GGPNDMMW 	C38H54N10O12S2	906.3365	NA	PeJP	NA	NA
+PJ074809	SCYYWW 	C46H50N8O10S	906.3371	NA	PeJP	NA	NA
+PJ074810	GCMHHHW 	C39H50N14O8S2	906.3378	NA	PeJP	NA	NA
+PJ074811	SSSTEEMH 	C34H54N10O17S	906.3389	NA	PeJP	NA	NA
+PJ074812	GGQQEEEM 	C34H54N10O17S	906.339	NA	PeJP	NA	NA
+PJ074813	EEEEWW 	C42H50N8O15	906.3396	NA	PeJP	NA	NA
+PJ074814	TQEMMMH 	C35H58N10O12S3	906.3398	NA	PeJP	NA	NA
+PJ074815	GSSDMHHH 	C35H50N14O13S	906.3403	NA	PeJP	NA	NA
+PJ074816	NMMYYW 	C43H54N8O10S2	906.3405	NA	PeJP	NA	NA
+PJ074817	GSSSNNNNN 	C31H50N14O18	906.3428	NA	PeJP	NA	NA
+PJ074818	SPEEEMW 	C39H54N8O15S	906.343	NA	PeJP	NA	NA
+PJ074819	SSSCCQHR 	C32H54N14O13S2	906.3437	NA	PeJP	NA	NA
+PJ074820	PPDMMMW 	C40H58N8O10S3	906.3438	NA	PeJP	NA	NA
+PJ074821	GCNNQWW 	C40H50N12O11S	906.3443	NA	PeJP	NA	NA
+PJ074822	DKEEEEE 	C35H54N8O20	906.3455	NA	PeJP	NA	NA
+PJ074823	SSSTTMMY 	C36H58N8O15S2	906.3463	NA	PeJP	NA	NA
+PJ074824	AAPEEEMM 	C36H58N8O15S2	906.3464	NA	PeJP	NA	NA
+PJ074825	SNDDDRW 	C36H50N12O16	906.3468	NA	PeJP	NA	NA
+PJ074826	TCKMMMY 	C37H62N8O10S4	906.3472	NA	PeJP	NA	NA
+PJ074827	PCCNERW 	C37H54N12O11S2	906.3477	NA	PeJP	NA	NA
+PJ074828	CEHFWW 	C45H50N10O9S	906.3483	NA	PeJP	NA	NA
+PJ074829	NNDEEMR 	C33H54N12O16S	906.3502	NA	PeJP	NA	NA
+PJ074830	GSNEEWW 	C41H50N10O14	906.3508	NA	PeJP	NA	NA
+PJ074831	GGGGPDDFW 	C41H50N10O14	906.3509	NA	PeJP	NA	NA
+PJ074832	SDMMMHR 	C34H58N12O11S3	906.351	NA	PeJP	NA	NA
+PJ074833	SPPCCNMR 	C34H58N12O11S3	906.3511	NA	PeJP	NA	NA
+PJ074834	GPCQMWW 	C42H54N10O9S2	906.3517	NA	PeJP	NA	NA
+PJ074835	GQQEEMW 	C38H54N10O14S	906.3542	NA	PeJP	NA	NA
+PJ074836	NDFYYW 	C46H50N8O12	906.3548	NA	PeJP	NA	NA
+PJ074837	GGDFYYW 	C46H50N8O12	906.3549	NA	PeJP	NA	NA
+PJ074838	ATMMMHW 	C39H58N10O9S3	906.3551	NA	PeJP	NA	NA
+PJ074839	STCHHHW 	C39H50N14O10S	906.3555	NA	PeJP	NA	NA
+PJ074840	GGPCNHHW 	C39H50N14O10S	906.3556	NA	PeJP	NA	NA
+PJ074841	SEEEEER 	C34H54N10O19	906.3567	NA	PeJP	NA	NA
+PJ074842	PDEEMMR 	C35H58N10O14S2	906.3576	NA	PeJP	NA	NA
+PJ074843	GNNNNNNF 	C35H50N14O15	906.358	NA	PeJP	NA	NA
+PJ074844	GGGGGNNNNF 	C35H50N14O15	906.3581	NA	PeJP	NA	NA
+PJ074845	GSTMYYW 	C43H54N8O12S	906.3582	NA	PeJP	NA	NA
+PJ074846	VQMMMMH 	C36H62N10O9S4	906.3584	NA	PeJP	NA	NA
+PJ074847	GGLMMMMH 	C36H62N10O9S4	906.3585	NA	PeJP	NA	NA
+PJ074848	CCNQHFR 	C36H54N14O10S2	906.3589	NA	PeJP	NA	NA
+PJ074849	SVEEEEW 	C39H54N8O17	906.3607	NA	PeJP	NA	NA
+PJ074850	CNDDERR 	C32H54N14O15S	906.3614	NA	PeJP	NA	NA
+PJ074851	GGGGGGGGGGSCK 	C32H54N14O15S	906.3615	NA	PeJP	NA	NA
+PJ074852	PVDEMMW 	C40H58N8O12S2	906.3616	NA	PeJP	NA	NA
+PJ074853	SSNNNWW 	C40H50N12O13	906.3621	NA	PeJP	NA	NA
+PJ074854	GTCCCKHR 	C33H58N14O10S3	906.3623	NA	PeJP	NA	NA
+PJ074855	GPCCRWW 	C41H54N12O8S2	906.3629	NA	PeJP	NA	NA
+PJ074856	LQEEEEM 	C36H58N8O17S	906.3641	NA	PeJP	NA	NA
+PJ074857	APPTEMMM 	C37H62N8O12S3	906.365	NA	PeJP	NA	NA
+PJ074858	GNDEMRW 	C37H54N12O13S	906.3654	NA	PeJP	NA	NA
+PJ074859	GGGDEMRW 	C37H54N12O13S	906.3655	NA	PeJP	NA	NA
+PJ074860	SNEWWW 	C45H50N10O11	906.3661	NA	PeJP	NA	NA
+PJ074861	CCCKKHW 	C38H58N12O8S3	906.3663	NA	PeJP	NA	NA
+PJ074862	GSSNEEER 	C33H54N12O18	906.3679	NA	PeJP	NA	NA
+PJ074863	GGGSSEEER 	C33H54N12O18	906.368	NA	PeJP	NA	NA
+PJ074864	GSPNDMMR 	C34H58N12O13S2	906.3688	NA	PeJP	NA	NA
+PJ074865	NNDDHHR 	C34H50N16O14	906.3693	NA	PeJP	NA	NA
+PJ074866	QQEMWW 	C42H54N10O11S	906.3695	NA	PeJP	NA	NA
+PJ074867	AMMMMHR 	C35H62N12O8S4	906.3697	NA	PeJP	NA	NA
+PJ074868	SCMHHHR 	C35H54N16O9S2	906.3702	NA	PeJP	NA	NA
+PJ074869	SSPPNNEY 	C38H54N10O16	906.3719	NA	PeJP	NA	NA
+PJ074870	SNDKEEW 	C38H54N10O16	906.372	NA	PeJP	NA	NA
+PJ074871	TTTMMHW 	C39H58N10O11S2	906.3728	NA	PeJP	NA	NA
+PJ074872	GGGGGPPMMF 	C39H58N10O11S2	906.3729	NA	PeJP	NA	NA
+PJ074873	GNQEHHW 	C39H50N14O12	906.3733	NA	PeJP	NA	NA
+PJ074874	NMFFYW 	C47H54N8O9S	906.3735	NA	PeJP	NA	NA
+PJ074875	VDEEEMR 	C35H58N10O16S	906.3753	NA	PeJP	NA	NA
+PJ074876	GGGAKEEEM 	C35H58N10O16S	906.3754	NA	PeJP	NA	NA
+PJ074877	SSTTYYW 	C43H54N8O14	906.376	NA	PeJP	NA	NA
+PJ074878	TKEMMMH 	C36H62N10O11S3	906.3762	NA	PeJP	NA	NA
+PJ074879	GCDDRRW 	C36H54N14O12S	906.3767	NA	PeJP	NA	NA
+PJ074880	VCNMFFF 	C44H58N8O9S2	906.3768	NA	PeJP	NA	NA
+PJ074881	PCCKFFY 	C44H58N8O9S2	906.3769	NA	PeJP	NA	NA
+PJ074882	GSSDDDRR 	C32H54N14O17	906.3792	NA	PeJP	NA	NA
+PJ074883	SSKEMYY 	C40H58N8O14S	906.3793	NA	PeJP	NA	NA
+PJ074884	ALEEEMW 	C40H58N8O14S	906.3794	NA	PeJP	NA	NA
+PJ074885	ASPCCDRR 	C33H58N14O12S2	906.38	NA	PeJP	NA	NA
+PJ074886	GSPCCERR 	C33H58N14O12S2	906.3801	NA	PeJP	NA	NA
+PJ074887	GKMMMFY 	C41H62N8O9S3	906.3802	NA	PeJP	NA	NA
+PJ074888	NDMRWW 	C41H54N12O10S	906.3807	NA	PeJP	NA	NA
+PJ074889	GSWWWW 	C49H50N10O8	906.3813	NA	PeJP	NA	NA
+PJ074890	GTTLEEEE 	C36H58N8O19	906.3819	NA	PeJP	NA	NA
+PJ074891	GPTLEEMM 	C37H62N8O14S2	906.3827	NA	PeJP	NA	NA
+PJ074892	SSNEERW 	C37H54N12O15	906.3832	NA	PeJP	NA	NA
+PJ074893	GPPLMMMM 	C38H66N8O9S4	906.3836	NA	PeJP	NA	NA
+PJ074894	SPCQMRW 	C38H58N12O10S2	906.3841	NA	PeJP	NA	NA
+PJ074895	PNEHHHH 	C38H50N16O11	906.3845	NA	PeJP	NA	NA
+PJ074896	GGPEHHHH 	C38H50N16O11	906.3846	NA	PeJP	NA	NA
+PJ074897	AQMWWW 	C46H54N10O8S	906.3847	NA	PeJP	NA	NA
+PJ074898	SQQEEMR 	C34H58N12O15S	906.3866	NA	PeJP	NA	NA
+MJ097418	Antibiotic RP 6798 	C42H54N10O13	906.387181	NA	MeJP	NA	NA
+PJ074899	GSDKEWW 	C42H54N10O13	906.3872	NA	PeJP	NA	NA
+PJ074900	TTMMMHR 	C35H62N12O10S3	906.3874	NA	PeJP	NA	NA
+PJ074901	GGGAPMMMR 	C35H62N12O10S3	906.3875	NA	PeJP	NA	NA
+PJ074902	GSPCNHHR 	C35H54N16O11S	906.3879	NA	PeJP	NA	NA
+PJ074903	GPCKMWW 	C43H58N10O8S2	906.3881	NA	PeJP	NA	NA
+PJ074904	NQHHWW 	C43H50N14O9	906.3886	NA	PeJP	NA	NA
+PJ074905	GQKEEMW 	C39H58N10O13S	906.3906	NA	PeJP	NA	NA
+PJ074906	VNYYYW 	C47H54N8O11	906.3912	NA	PeJP	NA	NA
+PJ074907	CNNNMRR 	C32H58N16O11S2	906.3913	NA	PeJP	NA	NA
+PJ074908	AQMHHHF 	C40H54N14O9S	906.3919	NA	PeJP	NA	NA
+PJ074909	GSTQKEEE 	C35H58N10O18	906.3931	NA	PeJP	NA	NA
+PJ074910	LQQQEMM 	C36H62N10O13S2	906.3939	NA	PeJP	NA	NA
+PJ074911	SSTTLMMH 	C36H62N10O13S2	906.394	NA	PeJP	NA	NA
+PJ074912	GSSSNNRW 	C36H54N14O14	906.3944	NA	PeJP	NA	NA
+PJ074913	GGGGGGNEFR 	C36H54N14O14	906.3945	NA	PeJP	NA	NA
+PJ074914	PPVDMYW 	C44H58N8O11S	906.3946	NA	PeJP	NA	NA
+PJ074915	VKMMMMH 	C37H66N10O8S4	906.3948	NA	PeJP	NA	NA
+PJ074916	SPCCRRW 	C37H58N14O9S2	906.3953	NA	PeJP	NA	NA
+PJ074917	ACRWWW 	C45H54N12O7S	906.396	NA	PeJP	NA	NA
+PJ074918	TTLEEEW 	C40H58N8O16	906.3971	NA	PeJP	NA	NA
+PJ074919	SNDEMRR 	C33H58N14O14S	906.3978	NA	PeJP	NA	NA
+PJ074920	PTLEMMW 	C41H62N8O11S2	906.398	NA	PeJP	NA	NA
+PJ074921	GNQQQFW 	C41H54N12O12	906.3984	NA	PeJP	NA	NA
+PJ074922	GSSERWW 	C41H54N12O12	906.3985	NA	PeJP	NA	NA
+PJ074923	PCNMMRR 	C34H62N14O9S3	906.3987	NA	PeJP	NA	NA
+PJ074924	MMHFRW 	C42H58N12O7S2	906.3993	NA	PeJP	NA	NA
+PJ074925	GPHHHHW 	C42H50N16O8	906.3998	NA	PeJP	NA	NA
+PJ074926	LKEEEEM 	C37H62N8O16S	906.4005	NA	PeJP	NA	NA
+PJ074927	SPPTLMMM 	C38H66N8O11S3	906.4013	NA	PeJP	NA	NA
+PJ074928	GPVLEMMM 	C38H66N8O11S3	906.4014	NA	PeJP	NA	NA
+PJ074929	GTQEMRW 	C38H58N12O12S	906.4018	NA	PeJP	NA	NA
+PJ074930	GGGGGGAPCKF 	C38H58N12O12S	906.4019	NA	PeJP	NA	NA
+PJ074931	SDKWWW 	C46H54N10O10	906.4025	NA	PeJP	NA	NA
+PJ074932	ACHHHFR 	C39H54N16O8S	906.4032	NA	PeJP	NA	NA
+PJ074933	GSSDKEER 	C34H58N12O17	906.4043	NA	PeJP	NA	NA
+PJ074934	VNQEMMR 	C35H62N12O12S2	906.4052	NA	PeJP	NA	NA
+PJ074935	SNQEHHR 	C35H54N16O13	906.4057	NA	PeJP	NA	NA
+PJ074936	QKEMWW 	C43H58N10O10S	906.4058	NA	PeJP	NA	NA
+PJ074937	GAKEMWW 	C43H58N10O10S	906.4059	NA	PeJP	NA	NA
+PJ074938	NFFFFW 	C51H54N8O8	906.4065	NA	PeJP	NA	NA
+PJ074939	STQKEEW 	C39H58N10O15	906.4083	NA	PeJP	NA	NA
+PJ074940	GGTTKEEW 	C39H58N10O15	906.4084	NA	PeJP	NA	NA
+PJ074941	SCDDRRR 	C32H58N16O13S	906.409	NA	PeJP	NA	NA
+PJ074942	GGGGGSTCRR 	C32H58N16O13S	906.4091	NA	PeJP	NA	NA
+PJ074943	SPQKMMW 	C40H62N10O10S2	906.4092	NA	PeJP	NA	NA
+MJ097419	15-Hydroxy-16-kauren-19-oic acid, Glycoside 	C42H66O21	906.409659	NA	MeJP	NA	NA
+PJ074944	GNNNFRW 	C40H54N14O11	906.4097	NA	PeJP	NA	NA
+PJ074945	TLEEEMR 	C36H62N10O15S	906.4117	NA	PeJP	NA	NA
+PJ074946	APLEEYW 	C44H58N8O13	906.4124	NA	PeJP	NA	NA
+PJ074947	PLEMMMR 	C37H66N10O10S3	906.4126	NA	PeJP	NA	NA
+PJ074948	SCNNKRW 	C37H58N14O11S	906.413	NA	PeJP	NA	NA
+PJ074949	GSDMRRW 	C37H58N14O11S	906.4131	NA	PeJP	NA	NA
+PJ074950	PPVMMFW 	C45H62N8O8S2	906.4132	NA	PeJP	NA	NA
+PJ074951	SSRWWW 	C45H54N12O9	906.4137	NA	PeJP	NA	NA
+PJ074952	SSSSQQQR 	C33H58N14O16	906.4155	NA	PeJP	NA	NA
+PJ074953	GSSSEERR 	C33H58N14O16	906.4156	NA	PeJP	NA	NA
+PJ074954	SLLEEMW 	C41H62N8O13S	906.4157	NA	PeJP	NA	NA
+PJ074955	AAPLEEMF 	C41H62N8O13S	906.4158	NA	PeJP	NA	NA
+PJ074956	GQEMMRR 	C34H62N14O11S2	906.4164	NA	PeJP	NA	NA
+PJ074957	GGGGGGKMMR 	C34H62N14O11S2	906.4165	NA	PeJP	NA	NA
+PJ074958	PVLMMMW 	C42H66N8O8S3	906.4166	NA	PeJP	NA	NA
+PJ074959	TQMRWW 	C42H58N12O9S	906.4171	NA	PeJP	NA	NA
+PJ074960	SSTLLEEE 	C37H62N8O18	906.4182	NA	PeJP	NA	NA
+PJ074961	AALLEEMM 	C38H66N8O13S2	906.4191	NA	PeJP	NA	NA
+PJ074962	SSDKERW 	C38H58N12O14	906.4196	NA	PeJP	NA	NA
+PJ074963	SPCKMRW 	C39H62N12O9S2	906.4204	NA	PeJP	NA	NA
+PJ074964	GVQMMRW 	C39H62N12O9S2	906.4205	NA	PeJP	NA	NA
+PJ074965	GSQHHRW 	C39H54N16O10	906.4209	NA	PeJP	NA	NA
+PJ074966	AKMWWW 	C47H58N10O7S	906.4211	NA	PeJP	NA	NA
+PJ074967	SQKEEMR 	C35H62N12O14S	906.4229	NA	PeJP	NA	NA
+PJ074968	GGTKEEMR 	C35H62N12O14S	906.423	NA	PeJP	NA	NA
+PJ074969	GTTKEWW 	C43H58N10O12	906.4236	NA	PeJP	NA	NA
+PJ074970	PNKMMMR 	C36H66N12O9S3	906.4238	NA	PeJP	NA	NA
+PJ074971	AQQMHHR 	C36H58N16O10S	906.4243	NA	PeJP	NA	NA
+PJ074972	NKHHWW 	C44H54N14O8	906.4249	NA	PeJP	NA	NA
+PJ074973	GGKHHWW 	C44H54N14O8	906.425	NA	PeJP	NA	NA
+PJ074974	SSSSNNRR 	C32H58N16O15	906.4268	NA	PeJP	NA	NA
+PJ074975	GKKEEMW 	C40H62N10O12S	906.427	NA	PeJP	NA	NA
+PJ074976	TKFYYW 	C48H58N8O10	906.4276	NA	PeJP	NA	NA
+PJ074977	GCEMRRR 	C33H62N16O10S2	906.4277	NA	PeJP	NA	NA
+PJ074978	TCRRWW 	C41H58N14O8S	906.4283	NA	PeJP	NA	NA
+PJ074979	GSTKKEEE 	C36H62N10O17	906.4295	NA	PeJP	NA	NA
+PJ074980	VLEEMMR 	C37H66N10O12S2	906.4303	NA	PeJP	NA	NA
+PJ074981	GSPKKEMM 	C37H66N10O12S2	906.4304	NA	PeJP	NA	NA
+MJ097420	3,12-Dihydroxypentadecanoic acid; 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C39H70O23	906.430788	NA	MeJP	NA	NA
+MJ097421	4,12-Dihydroxypentadecanoic acid; 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C39H70O23	906.430788	NA	MeJP	NA	NA
+PJ074982	SSSERRW 	C37H58N14O13	906.4308	NA	PeJP	NA	NA
+PJ074983	GGGGGGGAAPLH 	C37H58N14O13	906.4309	NA	PeJP	NA	NA
+PJ074984	PPTLMYW 	C45H62N8O10S	906.431	NA	PeJP	NA	NA
+PJ074985	QMMRRW 	C38H62N14O8S2	906.4317	NA	PeJP	NA	NA
+PJ074986	SPHHHHR 	C38H54N18O9	906.4322	NA	PeJP	NA	NA
+PJ074987	PLKEEEY 	C41H62N8O15	906.4335	NA	PeJP	NA	NA
+PJ074988	STQEMRR 	C34H62N14O13S	906.4342	NA	PeJP	NA	NA
+PJ074989	VVLEMMW 	C42H66N8O10S2	906.4344	NA	PeJP	NA	NA
+PJ074990	GTTTRWW 	C42H58N12O11	906.4348	NA	PeJP	NA	NA
+PJ074991	GGGVEFRW 	C42H58N12O11	906.4349	NA	PeJP	NA	NA
+PJ074992	GNMHHRR 	C35H58N18O9S	906.4355	NA	PeJP	NA	NA
+PJ074993	ATTLLEEM 	C38H66N8O15S	906.4369	NA	PeJP	NA	NA
+PJ074994	APTLLMMM 	C39H70N8O10S3	906.4377	NA	PeJP	NA	NA
+PJ074995	GTKEMRW 	C39H62N12O11S	906.4382	NA	PeJP	NA	NA
+PJ074996	TTKWWW 	C47H58N10O9	906.4389	NA	PeJP	NA	NA
+PJ074997	GSTTKEER 	C35H62N12O16	906.4407	NA	PeJP	NA	NA
+PJ074998	VNKEMMR 	C36H66N12O11S2	906.4416	NA	PeJP	NA	NA
+PJ074999	GNNQRRY 	C36H58N16O12	906.442	NA	PeJP	NA	NA
+PJ075000	GGGNQRRY 	C36H58N16O12	906.4421	NA	PeJP	NA	NA
+PJ075001	KKEMWW 	C44H62N10O9S	906.4422	NA	PeJP	NA	NA
+PJ075002	CMRRRW 	C37H62N16O7S2	906.4429	NA	PeJP	NA	NA
+PJ075003	STKKEEW 	C40H62N10O14	906.4447	NA	PeJP	NA	NA
+PJ075004	GGGGAALLEY 	C40H62N10O14	906.4448	NA	PeJP	NA	NA
+PJ075005	SSDMRRR 	C33H62N16O12S	906.4454	NA	PeJP	NA	NA
+PJ075006	SPKKMMW 	C41H66N10O9S2	906.4456	NA	PeJP	NA	NA
+PJ075007	NEFRRW 	C41H58N14O10	906.4461	NA	PeJP	NA	NA
+PJ075008	DKKKEEM 	C37H66N10O14S	906.4481	NA	PeJP	NA	NA
+PJ075009	SPLLEYW 	C45H62N8O12	906.4487	NA	PeJP	NA	NA
+PJ075010	PVTLEYW 	C45H62N8O12	906.4488	NA	PeJP	NA	NA
+PJ075011	AAPKKMMM 	C38H70N10O9S3	906.449	NA	PeJP	NA	NA
+PJ075012	GTTMRRW 	C38H62N14O10S	906.4494	NA	PeJP	NA	NA
+PJ075013	GGAPMRRY 	C38H62N14O10S	906.4495	NA	PeJP	NA	NA
+PJ075014	VNFRWW 	C46H58N12O8	906.4501	NA	PeJP	NA	NA
+PJ075015	GSTTTERR 	C34H62N14O15	906.4519	NA	PeJP	NA	NA
+PJ075016	GGGGSSTTKR 	C34H62N14O15	906.452	NA	PeJP	NA	NA
+PJ075017	AAPLLEMY 	C42H66N8O12S	906.4521	NA	PeJP	NA	NA
+PJ075018	GKEMMRR 	C35H66N14O10S2	906.4528	NA	PeJP	NA	NA
+PJ075019	SSQHHRR 	C35H58N18O11	906.4533	NA	PeJP	NA	NA
+PJ075020	TKMRWW 	C43H62N12O8S	906.4535	NA	PeJP	NA	NA
+PJ075021	TTTTLLEE 	C38H66N8O17	906.4546	NA	PeJP	NA	NA
+PJ075022	GTLLLEMM 	C39H70N8O12S2	906.4555	NA	PeJP	NA	NA
+PJ075023	STTKERW 	C39H62N12O13	906.456	NA	PeJP	NA	NA
+PJ075024	GVKMMRW 	C40H66N12O8S2	906.4568	NA	PeJP	NA	NA
+PJ075025	GSKHHRW 	C40H58N16O9	906.4573	NA	PeJP	NA	NA
+PJ075026	SKKEEMR 	C36H66N12O13S	906.4593	NA	PeJP	NA	NA
+PJ075027	GGGSDKKKM 	C36H66N12O13S	906.4594	NA	PeJP	NA	NA
+PJ075028	SSTLKWW 	C44H62N10O11	906.46	NA	PeJP	NA	NA
+PJ075029	GPCRRRY 	C37H62N16O9S	906.4607	NA	PeJP	NA	NA
+PJ075030	GFRRWW 	C45H58N14O7	906.4613	NA	PeJP	NA	NA
+PJ075031	SVKKEMW 	C41H66N10O11S	906.4634	NA	PeJP	NA	NA
+PJ075032	PPVVFYW 	C49H62N8O9	906.464	NA	PeJP	NA	NA
+PJ075033	GTMMRRR 	C34H66N16O9S2	906.4641	NA	PeJP	NA	NA
+PJ075034	STTTLQKE 	C37H66N10O16	906.4658	NA	PeJP	NA	NA
+PJ075035	SSSLKKEE 	C37H66N10O16	906.4659	NA	PeJP	NA	NA
+PJ075036	LQKKEMM 	C38H70N10O11S2	906.4667	NA	PeJP	NA	NA
+PJ075037	STTTRRW 	C38H62N14O12	906.4672	NA	PeJP	NA	NA
+PJ075038	PVVLMYW 	C46H66N8O9S	906.4674	NA	PeJP	NA	NA
+PJ075039	KMMRRW 	C39H66N14O7S2	906.4681	NA	PeJP	NA	NA
+PJ075040	ALHHHHR 	C39H58N18O8	906.4686	NA	PeJP	NA	NA
+PJ075041	LLLQEEY 	C42H66N8O14	906.4699	NA	PeJP	NA	NA
+PJ075042	STKEMRR 	C35H66N14O12S	906.4706	NA	PeJP	NA	NA
+PJ075043	TLLLMMW 	C43H70N8O9S2	906.4708	NA	PeJP	NA	NA
+PJ075044	GPTKRYW 	C43H62N12O10	906.4712	NA	PeJP	NA	NA
+PJ075045	ACKHHRR 	C36H62N18O8S	906.4719	NA	PeJP	NA	NA
+PJ075046	STTLLLEM 	C39H70N8O14S	906.4733	NA	PeJP	NA	NA
+PJ075047	GVLLLMMM 	C40H74N8O9S3	906.4741	NA	PeJP	NA	NA
+PJ075048	SSLKMRW 	C40H66N12O10S	906.4746	NA	PeJP	NA	NA
+PJ075049	PKKYWW 	C48H62N10O8	906.4752	NA	PeJP	NA	NA
+PJ075050	GALKFWW 	C48H62N10O8	906.4753	NA	PeJP	NA	NA
+PJ075051	SSSTLKER 	C36H66N12O15	906.4771	NA	PeJP	NA	NA
+PJ075052	VDKKMMR 	C37H70N12O10S2	906.478	NA	PeJP	NA	NA
+PJ075053	QERRRY 	C37H62N16O11	906.4784	NA	PeJP	NA	NA
+PJ075054	GGGGGKRRY 	C37H62N16O11	906.4785	NA	PeJP	NA	NA
+PJ075055	APKKMFW 	C45H66N10O8S	906.4786	NA	PeJP	NA	NA
+PJ075056	SSSSLLKW 	C41H66N10O13	906.4811	NA	PeJP	NA	NA
+PJ075057	STTMRRR 	C34H66N16O11S	906.4818	NA	PeJP	NA	NA
+PJ075058	ALKKMMW 	C42H70N10O8S2	906.482	NA	PeJP	NA	NA
+MJ097422	3,14-Clerodadiene-6,13-diol, 6-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 13-O-[?-L-rhamnopyranosyl-(1?4)-?-D-fucopyranoside] 	C44H74O19	906.48243	NA	MeJP	NA	NA
+MJ097423	Furostane-2,3,22,26-tetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C44H74O19	906.48243	NA	MeJP	NA	NA
+PJ075059	VQRRYW 	C42H62N14O9	906.4825	NA	PeJP	NA	NA
+PJ075060	GTTLKKEM 	C38H70N10O13S	906.4845	NA	PeJP	NA	NA
+PJ075061	ALLLEYW 	C46H66N8O11	906.4851	NA	PeJP	NA	NA
+MJ097424	Aselacin A; 9''-Ketone 	C46H66N8O11	906.485104	NA	MeJP	NA	NA
+PJ075062	AAPILEFF 	C46H66N8O11	906.4852	NA	PeJP	NA	NA
+PJ075063	LLLMMMR 	C39H74N10O8S3	906.4854	NA	PeJP	NA	NA
+PJ075064	GPKMRRY 	C39H66N14O9S	906.4858	NA	PeJP	NA	NA
+PJ075065	SSSTTLRR 	C35H66N14O14	906.4883	NA	PeJP	NA	NA
+PJ075066	GPTLLLMY 	C43H70N8O11S	906.4885	NA	PeJP	NA	NA
+PJ075067	SVKMMRR 	C36H70N14O9S2	906.4892	NA	PeJP	NA	NA
+PJ075068	GPEHRRR 	C36H62N18O10	906.4897	NA	PeJP	NA	NA
+PJ075069	SSLLLLMM 	C40H74N8O11S2	906.4919	NA	PeJP	NA	NA
+PJ075070	SPKKERY 	C40H66N12O12	906.4923	NA	PeJP	NA	NA
+PJ075071	GSSSKKKW 	C40H66N12O12	906.4924	NA	PeJP	NA	NA
+PJ075072	ARRRYW 	C41H62N16O8	906.4937	NA	PeJP	NA	NA
+PJ075073	GTTTLKMR 	C37H70N12O12S	906.4957	NA	PeJP	NA	NA
+PJ075074	SPVKKYW 	C45H66N10O10	906.4964	NA	PeJP	NA	NA
+PJ075075	AAMFRRR 	C38H66N16O8S	906.4971	NA	PeJP	NA	NA
+MJ097425	3-Hydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[6-Butyl-?-D-glucuronopyranosyl-(1?2)-6-ethyl-?-D-glucuronopyranoside] 	C48H74O16	906.497686	NA	MeJP	NA	NA
+MJ097426	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[6-O-Ethyl-?-D-glucuronopyranosyl-(1?2)-6-O-butyl-?-D-glucuronopyranoside] 	C48H74O16	906.497686	NA	MeJP	NA	NA
+MJ097427	Avermectin B1a; 22,23-Dihydro, 22?,23S-dihydroxy 	C48H74O16	906.497686	NA	MeJP	NA	NA
+PJ075076	TTLKKMW 	C42H70N10O10S	906.4997	NA	PeJP	NA	NA
+PJ075077	GAPLKKMY 	C42H70N10O10S	906.4998	NA	PeJP	NA	NA
+PJ075078	PVVLFFW 	C50H66N8O8	906.5004	NA	PeJP	NA	NA
+PJ075079	STTTLKKE 	C38H70N10O15	906.5022	NA	PeJP	NA	NA
+PJ075080	LKKKEMM 	C39H74N10O10S2	906.5031	NA	PeJP	NA	NA
+PJ075081	GVKERRY 	C39H66N14O11	906.5036	NA	PeJP	NA	NA
+PJ075082	VVLLMFW 	C47H70N8O8S	906.5038	NA	PeJP	NA	NA
+PJ075083	PHRRRW 	C40H62N18O7	906.5049	NA	PeJP	NA	NA
+PJ075084	LLLKEEY 	C43H70N8O13	906.5063	NA	PeJP	NA	NA
+PJ075085	GSTCKKKR 	C36H70N14O11S	906.507	NA	PeJP	NA	NA
+PJ075086	AALKRYW 	C44H66N12O9	906.5076	NA	PeJP	NA	NA
+PJ075087	SCKKKKW 	C41H70N12O9S	906.511	NA	PeJP	NA	NA
+PJ075088	LKKFWW 	C49H66N10O7	906.5116	NA	PeJP	NA	NA
+PJ075089	STTTTLKR 	C37H70N12O14	906.5135	NA	PeJP	NA	NA
+PJ075090	TLKKMMR 	C38H74N12O9S2	906.5144	NA	PeJP	NA	NA
+MetaCyc04285	chlorophyll b [chlorophyll b;]	C55H70N4O6MG1	906.514578	NA	metacyc	NA	NA
+C05307	Chlorophyll b	C55H70MgN4O6	906.5146	NA	KEGG	NA	NA
+PJ075091	KERRRY 	C38H66N16O10	906.5148	NA	PeJP	NA	NA
+PJ075092	TLLLERY 	C42H70N10O12	906.5175	NA	PeJP	NA	NA
+PJ075093	VKRRYW 	C43H66N14O8	906.5188	NA	PeJP	NA	NA
+PJ075094	PPPVRRW 	C43H66N14O8	906.5189	NA	PeJP	NA	NA
+PJ075095	SSTLLKKM 	C39H74N10O12S	906.5209	NA	PeJP	NA	NA
+PJ075096	SLLLLYW 	C47H70N8O10	906.5215	NA	PeJP	NA	NA
+PJ075097	GLKMFRR 	C40H70N14O8S	906.5222	NA	PeJP	NA	NA
+PJ075098	SSSSKKKR 	C36H70N14O13	906.5247	NA	PeJP	NA	NA
+PJ075099	AALLLLMY 	C44H74N8O10S	906.5249	NA	PeJP	NA	NA
+PJ075100	TRRRRY 	C37H66N18O9	906.5261	NA	PeJP	NA	NA
+PJ075101	ALKKERY 	C41H70N12O11	906.5287	NA	PeJP	NA	NA
+PJ075102	GGGGLKKKY 	C41H70N12O11	906.5288	NA	PeJP	NA	NA
+PJ075103	GSTKKKKM 	C38H74N12O11S	906.5321	NA	PeJP	NA	NA
+PJ075104	GLLKKYW 	C46H70N10O9	906.5328	NA	PeJP	NA	NA
+MJ097428	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O15	906.534071	NA	MeJP	NA	NA
+MJ097429	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O15	906.534071	NA	MeJP	NA	NA
+MJ097430	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O15	906.534071	NA	MeJP	NA	NA
+MJ097431	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O15	906.534071	NA	MeJP	NA	NA
+MJ097432	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-O-(3,4-Dimethyl-2-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O15	906.534071	NA	MeJP	NA	NA
+PJ075105	VLLLMRY 	C43H74N10O9S	906.5361	NA	PeJP	NA	NA
+PJ075106	ATLKRRY 	C40H70N14O10	906.54	NA	PeJP	NA	NA
+PJ075107	ATTILLLY 	C44H74N8O12	906.5426	NA	PeJP	NA	NA
+PJ075108	ATTLLLLY 	C44H74N8O12	906.5427	NA	PeJP	NA	NA
+PJ075109	PVLKKHW 	C45H70N12O8	906.544	NA	PeJP	NA	NA
+PJ075110	VVKKMFR 	C42H74N12O8S	906.5474	NA	PeJP	NA	NA
+PJ075111	SSTTKKKK 	C38H74N12O13	906.5499	NA	PeJP	NA	NA
+PJ075112	PTLKHRR 	C39H70N16O9	906.5512	NA	PeJP	NA	NA
+PJ075113	VLKKKEY 	C43H74N10O11	906.5539	NA	PeJP	NA	NA
+PJ075114	AALLLLFF 	C48H74N8O9	906.5579	NA	PeJP	NA	NA
+PJ075115	GLLHRRR 	C38H70N18O8	906.5625	NA	PeJP	NA	NA
+PJ075116	SLLKKRY 	C42H74N12O10	906.5651	NA	PeJP	NA	NA
+PJ075117	VLLLFFR 	C47H74N10O8	906.5691	NA	PeJP	NA	NA
+PJ075118	LLLLLHW 	C47H74N10O8	906.5692	NA	PeJP	NA	NA
+PJ075119	LLKKKMF 	C44H78N10O8S	906.5725	NA	PeJP	NA	NA
+PJ075120	GKKKKRY 	C41H74N14O9	906.5764	NA	PeJP	NA	NA
+PJ075121	PPLLLLLE 	C45H78N8O11	906.5791	NA	PeJP	NA	NA
+PJ075122	PPLLRRR 	C40H74N16O8	906.5876	NA	PeJP	NA	NA
+PJ075123	SVLLLLLH 	C44H78N10O10	906.5903	NA	PeJP	NA	NA
+PJ075124	APPLLLKR 	C43H78N12O9	906.6015	NA	PeJP	NA	NA
+PJ075125	LLLKKHR 	C42H78N14O8	906.6127	NA	PeJP	NA	NA
+PJ075126	PPVLLLKK 	C45H82N10O9	906.6267	NA	PeJP	NA	NA
+PJ075127	PLLLLLLL 	C47H86N8O9	906.6518	NA	PeJP	NA	NA
+MJ097433	Huratoxin; 20-Docosanoyl 	C56H90O9	906.658484	NA	MeJP	NA	NA
+HMDB05412	TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H102O6	906.767639	NA	HMDB2010	NA	NA
+HMDB05443	TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H102O6	906.767639	NA	HMDB2010	NA	NA
+HMDB05456	TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H102O6	906.767639	NA	HMDB2010	NA	NA
+HMDB10454	TG(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C59H102O6	906.767639	NA	HMDB2010	NA	NA
+HMDB10485	TG(18:2(9Z,12Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6]	C59H102O6	906.767639	NA	HMDB2010	NA	NA
+HMDB10491	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:2(11Z,14Z))[iso3]	C59H102O6	906.767639	NA	HMDB2010	NA	NA
+HMDB05412	TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H102O6	906.76764	http://www.hmdb.ca/metabolites/HMDB05412	HMDB	NA	NA
+HMDB05443	TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H102O6	906.76764	http://www.hmdb.ca/metabolites/HMDB05443	HMDB	NA	NA
+HMDB05456	TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H102O6	906.76764	http://www.hmdb.ca/metabolites/HMDB05456	HMDB	NA	NA
+HMDB05412	TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H102O6	906.76764	HMDB05412	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05443	TG(16:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H102O6	906.76764	HMDB05443	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05456	TG(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H102O6	906.76764	HMDB05456	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04286	6-carboxyhex-2-enoyl-CoA [7-[2-[3-[4-[[[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-3- phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinoyl] oxy-hydroxy-phosphinoyl]oxy-2-hydroxy-3,3-dimethyl-butanoyl] aminopropanoylamino]ethylsulfanyl]-7-oxo-hept-5-enoic acid;]	C28H44N7O19P3S1	907.162552	NA	metacyc	NA	NA
+C06723	6-Carboxyhex-2-enoyl-CoA	C28H44N7O19P3S	907.1626	NA	KEGG	NA	NA
+C09825	6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA	C28H44N7O19P3S	907.1626	NA	KEGG	NA	NA
+PJ075128	GSCCCCCDD 	C28H45N9O15S5	907.1639	NA	PeJP	NA	NA
+PJ075129	APCCCCCCC 	C29H49N9O10S7	907.1648	NA	PeJP	NA	NA
+PJ075130	CCCCCNEM 	C29H49N9O12S6	907.1825	NA	PeJP	NA	NA
+PJ075131	CCCCCCDR 	C28H49N11O11S6	907.1938	NA	PeJP	NA	NA
+PJ075132	GCCCCCMW 	C33H49N9O9S6	907.1978	NA	PeJP	NA	NA
+C04316	(1-Hydroxycyclohexan-1-yl)acetyl-CoA	C29H48N7O18P3S	907.1989	NA	KEGG	NA	NA
+C04317	1-Organyl-2-lyso-sn-glycero-3-phosphocholine	C8H20NO6PR	907.1989	NA	KEGG	NA	NA
+C05267	3-Oxooctanoyl-CoA	C29H48N7O18P3S	907.1989	NA	KEGG	NA	NA
+HMDB03941	3-Oxooctanoyl-CoA	C29H48N7O18P3S	907.19891	http://www.hmdb.ca/metabolites/HMDB03941	HMDB	NA	NA
+HMDB03941	3-Oxooctanoyl-CoA	C29H48N7O18P3S	907.19891	HMDB03941	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03941	3-Oxooctanoyl-CoA	C29H48N7O18P3S	907.198914	NA	HMDB2010	NA	NA
+MetaCyc04287	(1-hydroxycyclohexan-1-yl)acetyl-CoA []	C29H48N7O18P3S1	907.198938	NA	metacyc	NA	NA
+PJ075133	GSSCCCCDM 	C29H49N9O14S5	907.2003	NA	PeJP	NA	NA
+PJ075134	STCCCCCW 	C33H49N9O11S5	907.2155	NA	PeJP	NA	NA
+PJ075135	GGPCCCCCY 	C33H49N9O11S5	907.2156	NA	PeJP	NA	NA
+PJ075136	SSSSCCCCE 	C29H49N9O16S4	907.218	NA	PeJP	NA	NA
+PJ075137	SCCCCQMM 	C30H53N9O11S6	907.2189	NA	PeJP	NA	NA
+PJ075138	SCCCCCMR 	C29H53N11O10S6	907.2302	NA	PeJP	NA	NA
+PJ075139	GCCCNDMY 	C33H49N9O13S4	907.2333	NA	PeJP	NA	NA
+C01942	Nonanoyl-CoA	C30H52N7O17P3S	907.2353	NA	KEGG	NA	NA
+PJ075140	GSSSCCCMM 	C30H53N9O13S5	907.2367	NA	PeJP	NA	NA
+PJ075141	SCCNDDDH 	C31H45N11O17S2	907.2437	NA	PeJP	NA	NA
+PJ075142	PCCCCNEH 	C32H49N11O12S4	907.2445	NA	PeJP	NA	NA
+PJ075143	GAPCCCCDH 	C32H49N11O12S4	907.2446	NA	PeJP	NA	NA
+PJ075144	CCCCQYW 	C37H49N9O10S4	907.2486	NA	PeJP	NA	NA
+PJ075145	PCNDDDDD 	C32H45N9O20S	907.2502	NA	PeJP	NA	NA
+PJ075146	SSCCCNEY 	C33H49N9O15S3	907.2511	NA	PeJP	NA	NA
+PJ075147	GCCCNMMF 	C34H53N9O10S5	907.2519	NA	PeJP	NA	NA
+PJ075148	CDDDDYY 	C37H45N7O18S	907.2542	NA	PeJP	NA	NA
+PJ075149	SSSSTCCCM 	C30H53N9O15S4	907.2544	NA	PeJP	NA	NA
+PJ075150	SCCCCKMM 	C31H57N9O10S6	907.2553	NA	PeJP	NA	NA
+PJ075151	CDDMMMY 	C35H53N7O13S4	907.2585	NA	PeJP	NA	NA
+PJ075152	GPCCCCHW 	C36H49N11O9S4	907.2598	NA	PeJP	NA	NA
+PJ075153	GCCNDEMH 	C32H49N11O14S3	907.2623	NA	PeJP	NA	NA
+PJ075154	CMMMMMM 	C33H61N7O8S7	907.2627	NA	PeJP	NA	NA
+PJ075155	ACCCCCFR 	C33H53N11O9S5	907.2632	NA	PeJP	NA	NA
+PJ075156	GSSCCCYW 	C37H49N9O12S3	907.2663	NA	PeJP	NA	NA
+PJ075157	GNDDDDEE 	C32H45N9O22	907.268	NA	PeJP	NA	NA
+PJ075158	GSSSSCCDY 	C33H49N9O17S2	907.2688	NA	PeJP	NA	NA
+PJ075159	GSCCNMMY 	C34H53N9O12S4	907.2697	NA	PeJP	NA	NA
+PJ075160	CDDDMFY 	C38H49N7O15S2	907.2728	NA	PeJP	NA	NA
+PJ075161	GCCCDDHR 	C31H49N13O13S3	907.2735	NA	PeJP	NA	NA
+PJ075162	GGGGGGTCCCH 	C31H49N13O13S3	907.2736	NA	PeJP	NA	NA
+PJ075163	CDMMMMF 	C36H57N7O10S5	907.2771	NA	PeJP	NA	NA
+PJ075164	CCNDMHW 	C36H49N11O11S3	907.2775	NA	PeJP	NA	NA
+PJ075165	GGCCDMHW 	C36H49N11O11S3	907.2776	NA	PeJP	NA	NA
+PJ075166	SNNNDDDD 	C31H45N11O21	907.2792	NA	PeJP	NA	NA
+PJ075167	SSCNDDMH 	C32H49N11O16S2	907.2801	NA	PeJP	NA	NA
+PJ075168	GTCCCCRY 	C33H53N11O11S4	907.2809	NA	PeJP	NA	NA
+PJ075169	NDDDDEW 	C36H45N9O19	907.2832	NA	PeJP	NA	NA
+PJ075170	CCNNEYY 	C37H49N9O14S2	907.2841	NA	PeJP	NA	NA
+PJ075171	CCCCKYW 	C38H53N9O9S4	907.2849	NA	PeJP	NA	NA
+PJ075172	PPPCCCCW 	C38H53N9O9S4	907.285	NA	PeJP	NA	NA
+PJ075173	SPNDDDDM 	C33H49N9O19S	907.2866	NA	PeJP	NA	NA
+PJ075174	SSSCCQMY 	C34H53N9O14S3	907.2874	NA	PeJP	NA	NA
+PJ075175	CEEEMMH 	C34H53N9O14S3	907.2875	NA	PeJP	NA	NA
+PJ075176	ACCCCKMF 	C35H57N9O9S5	907.2883	NA	PeJP	NA	NA
+PJ075177	SDDDMYY 	C38H49N7O17S	907.2906	NA	PeJP	NA	NA
+PJ075178	GSSSCCNNH 	C31H49N13O15S2	907.2913	NA	PeJP	NA	NA
+PJ075179	PCCEMYY 	C39H53N7O12S3	907.2915	NA	PeJP	NA	NA
+PJ075180	SPCCCCHR 	C32H53N13O10S4	907.2922	NA	PeJP	NA	NA
+PJ075181	ACCCHWW 	C40H49N11O8S3	907.2928	NA	PeJP	NA	NA
+PJ075182	DEEEEEE 	C34H49N7O22	907.2931	NA	PeJP	NA	NA
+PJ075183	SDMMMMY 	C36H57N7O12S4	907.2948	NA	PeJP	NA	NA
+PJ075184	GSSCCEHW 	C36H49N11O13S2	907.2953	NA	PeJP	NA	NA
+PJ075185	CCMMHHF 	C37H53N11O8S4	907.2962	NA	PeJP	NA	NA
+PJ075186	GSSSSCDEH 	C32H49N11O18S	907.2978	NA	PeJP	NA	NA
+PJ075187	GDDDDWW 	C40H45N9O16	907.2985	NA	PeJP	NA	NA
+PJ075188	SSSCCCRY 	C33H53N11O13S3	907.2987	NA	PeJP	NA	NA
+PJ075189	GCCNYYW 	C41H49N9O11S2	907.2993	NA	PeJP	NA	NA
+PJ075190	GSPCDDEW 	C37H49N9O16S	907.3018	NA	PeJP	NA	NA
+PJ075191	GPPCCDMW 	C38H53N9O11S3	907.3027	NA	PeJP	NA	NA
+PJ075192	GSNDEEEE 	C33H49N9O21	907.3043	NA	PeJP	NA	NA
+PJ075193	GGGSDEEEE 	C33H49N9O21	907.3044	NA	PeJP	NA	NA
+PJ075194	GSSSSSCMY 	C34H53N9O16S2	907.3052	NA	PeJP	NA	NA
+PJ075195	CDDDFFF 	C42H49N7O14S	907.3059	NA	PeJP	NA	NA
+PJ075196	GTCCCKMY 	C35H57N9O11S4	907.3061	NA	PeJP	NA	NA
+PJ075197	GCCNNNHF 	C35H49N13O12S2	907.3065	NA	PeJP	NA	NA
+PJ075198	GGGCCNNHF 	C35H49N13O12S2	907.3066	NA	PeJP	NA	NA
+PJ075199	SCNNNNNE 	C31H49N13O17S	907.309	NA	PeJP	NA	NA
+PJ075200	GCNNDDDR 	C31H49N13O17S	907.3091	NA	PeJP	NA	NA
+PJ075201	GDEMMYY 	C39H53N7O14S2	907.3092	NA	PeJP	NA	NA
+PJ075202	GSCCDMHR 	C32H53N13O12S3	907.3099	NA	PeJP	NA	NA
+PJ075203	SSCCHWW 	C40H49N11O10S2	907.3106	NA	PeJP	NA	NA
+PJ075204	SSSSCDHW 	C36H49N11O15S	907.3131	NA	PeJP	NA	NA
+PJ075205	AMMMMMY 	C37H61N7O9S5	907.3135	NA	PeJP	NA	NA
+PJ075206	SCNMMHW 	C37H53N11O10S3	907.3139	NA	PeJP	NA	NA
+PJ075207	GGGPCCMHF 	C37H53N11O10S3	907.314	NA	PeJP	NA	NA
+PJ075208	GSDDDDER 	C32H49N11O20	907.3156	NA	PeJP	NA	NA
+PJ075209	SSSNDMMH 	C33H53N11O15S2	907.3164	NA	PeJP	NA	NA
+PJ075210	GPCDDDMR 	C33H53N11O15S2	907.3165	NA	PeJP	NA	NA
+PJ075211	SPCDDWW 	C41H49N9O13S	907.3171	NA	PeJP	NA	NA
+PJ075212	NNMMMMH 	C34H57N11O10S4	907.3173	NA	PeJP	NA	NA
+PJ075213	GSCCQHHH 	C34H49N15O11S2	907.3178	NA	PeJP	NA	NA
+PJ075214	SNDEEEW 	C37H49N9O18	907.3196	NA	PeJP	NA	NA
+PJ075215	SCNQMYY 	C38H53N9O13S2	907.3204	NA	PeJP	NA	NA
+PJ075216	PNDDMMW 	C38H53N9O13S2	907.3205	NA	PeJP	NA	NA
+PJ075217	SSSSSSTCY 	C34H53N9O18S	907.3229	NA	PeJP	NA	NA
+PJ075218	NQEEEEM 	C34H53N9O18S	907.323	NA	PeJP	NA	NA
+PJ075219	GDDEFYY 	C42H49N7O16	907.3236	NA	PeJP	NA	NA
+PJ075220	SSSCCKMY 	C35H57N9O13S3	907.3238	NA	PeJP	NA	NA
+PJ075221	GSCNNNNW 	C35H49N13O14S	907.3243	NA	PeJP	NA	NA
+PJ075222	DMMYYW 	C43H53N7O11S2	907.3245	NA	PeJP	NA	NA
+PJ075223	PMMMMMH 	C36H61N9O8S5	907.3247	NA	PeJP	NA	NA
+PJ075224	TCCCHRW 	C36H53N13O9S3	907.3252	NA	PeJP	NA	NA
+PJ075225	GSSSNNNND 	C31H49N13O19	907.3268	NA	PeJP	NA	NA
+PJ075226	SSEEMYY 	C39H53N7O16S	907.327	NA	PeJP	NA	NA
+PJ075227	SSSCCEHR 	C32H53N13O14S2	907.3277	NA	PeJP	NA	NA
+PJ075228	PTCMMYY 	C40H57N7O11S3	907.3278	NA	PeJP	NA	NA
+PJ075229	GEMMMFY 	C40H57N7O11S3	907.3279	NA	PeJP	NA	NA
+PJ075230	GCNNEWW 	C40H49N11O12S	907.3283	NA	PeJP	NA	NA
+PJ075231	CCQMMHR 	C33H57N13O9S4	907.3285	NA	PeJP	NA	NA
+PJ075232	GACCMMHR 	C33H57N13O9S4	907.3286	NA	PeJP	NA	NA
+PJ075233	SDDDDRW 	C36H49N11O17	907.3308	NA	PeJP	NA	NA
+PJ075234	GGGGGGGPDDY 	C36H49N11O17	907.3309	NA	PeJP	NA	NA
+PJ075235	TTMMMMY 	C37H61N7O11S4	907.3312	NA	PeJP	NA	NA
+PJ075236	PCCDERW 	C37H53N11O12S2	907.3317	NA	PeJP	NA	NA
+PJ075237	NDDEEMR 	C33H53N11O17S	907.3342	NA	PeJP	NA	NA
+PJ075238	ASDDEWW 	C41H49N9O15	907.3348	NA	PeJP	NA	NA
+PJ075239	GSDEEWW 	C41H49N9O15	907.3349	NA	PeJP	NA	NA
+PJ075240	SPPCCDMR 	C34H57N11O12S3	907.3351	NA	PeJP	NA	NA
+PJ075241	SSSCNHHH 	C34H49N15O13S	907.3355	NA	PeJP	NA	NA
+PJ075242	GPCEMWW 	C42H53N9O10S2	907.3357	NA	PeJP	NA	NA
+PJ075243	GQEEEMW 	C38H53N9O15S	907.3382	NA	PeJP	NA	NA
+PJ075244	DDFYYW 	C46H49N7O13	907.3389	NA	PeJP	NA	NA
+PJ075245	GSPPCMMW 	C39H57N9O10S3	907.3391	NA	PeJP	NA	NA
+PJ075246	PCNDHHW 	C39H49N13O11S	907.3396	NA	PeJP	NA	NA
+PJ075247	CCCMHRR 	C32H57N15O8S4	907.3398	NA	PeJP	NA	NA
+PJ075248	GSTQEEEE 	C34H53N9O20	907.3407	NA	PeJP	NA	NA
+PJ075249	GSPQEEMM 	C35H57N9O15S2	907.3416	NA	PeJP	NA	NA
+PJ075250	GNNNNNDF 	C35H49N13O16	907.3421	NA	PeJP	NA	NA
+PJ075251	GPDMYYY 	C43H53N7O13S	907.3422	NA	PeJP	NA	NA
+PJ075252	VEMMMMH 	C36H61N9O10S4	907.3425	NA	PeJP	NA	NA
+PJ075253	CCNEHFR 	C36H53N13O11S2	907.3429	NA	PeJP	NA	NA
+PJ075254	MMMFYW 	C44H57N7O8S3	907.3431	NA	PeJP	NA	NA
+PJ075255	CNNWWW 	C44H49N11O9S	907.3436	NA	PeJP	NA	NA
+PJ075256	PEEEEEF 	C39H53N7O18	907.3447	NA	PeJP	NA	NA
+PJ075257	CDDDERR 	C32H53N13O16S	907.3454	NA	PeJP	NA	NA
+PJ075258	GGGGGSDDMR 	C32H53N13O16S	907.3455	NA	PeJP	NA	NA
+PJ075259	ATEMMYY 	C40H57N7O13S2	907.3456	NA	PeJP	NA	NA
+PJ075260	SSNNDWW 	C40H49N11O14	907.3461	NA	PeJP	NA	NA
+PJ075261	GSSCMMHR 	C33H57N13O11S3	907.3463	NA	PeJP	NA	NA
+PJ075262	AMMMMFF 	C41H61N7O8S4	907.3465	NA	PeJP	NA	NA
+PJ075263	ACNMHFW 	C41H53N11O9S2	907.3469	NA	PeJP	NA	NA
+PJ075264	GCQMHFW 	C41H53N11O9S2	907.347	NA	PeJP	NA	NA
+PJ075265	LEEEEEM 	C36H57N7O18S	907.3481	NA	PeJP	NA	NA
+PJ075266	SSSSSMHW 	C37H53N11O14S	907.3494	NA	PeJP	NA	NA
+PJ075267	GDDEMRW 	C37H53N11O14S	907.3495	NA	PeJP	NA	NA
+PJ075268	SDEWWW 	C45H49N9O12	907.3501	NA	PeJP	NA	NA
+PJ075269	TCCKMHW 	C38H57N11O9S3	907.3503	NA	PeJP	NA	NA
+PJ075270	CNNHHHF 	C38H49N15O10S	907.3508	NA	PeJP	NA	NA
+PJ075271	PCMWWW 	C46H53N9O7S2	907.351	NA	PeJP	NA	NA
+PJ075272	SSSSSSTEH 	C33H53N11O19	907.3519	NA	PeJP	NA	NA
+PJ075273	GSSDEEER 	C33H53N11O19	907.352	NA	PeJP	NA	NA
+PJ075274	GSPDDMMR 	C34H57N11O14S2	907.3528	NA	PeJP	NA	NA
+PJ075275	GGGGGGGVEMM 	C34H57N11O14S2	907.3529	NA	PeJP	NA	NA
+PJ075276	NDDDHHR 	C34H49N15O15	907.3533	NA	PeJP	NA	NA
+PJ075277	QEEMWW 	C42H53N9O12S	907.3535	NA	PeJP	NA	NA
+PJ075278	APPCCMMR 	C35H61N11O9S4	907.3537	NA	PeJP	NA	NA
+PJ075279	GSCCKHHH 	C35H53N15O10S2	907.3542	NA	PeJP	NA	NA
+MJ097434	Pepticinnamin; Pepticinnamin E 	C49H54ClN5O10	907.35592	NA	MeJP	NA	NA
+PJ075280	STQEEEW 	C38H53N9O17	907.356	NA	PeJP	NA	NA
+PJ075281	SSCNNNNR 	C31H53N15O15S	907.3567	NA	PeJP	NA	NA
+PJ075282	SPQEMMW 	C39H57N9O12S2	907.3568	NA	PeJP	NA	NA
+PJ075283	GGPTEMMW 	C39H57N9O12S2	907.3569	NA	PeJP	NA	NA
+PJ075284	GNEEHHW 	C39H49N13O13	907.3573	NA	PeJP	NA	NA
+PJ075285	DMFFYW 	C47H53N7O10S	907.3575	NA	PeJP	NA	NA
+PJ075286	GGGPCCCRR 	C32H57N15O10S3	907.3576	NA	PeJP	NA	NA
+PJ075287	GCCHFRW 	C40H53N13O8S2	907.3582	NA	PeJP	NA	NA
+PJ075288	SSPTQEEM 	C35H57N9O17S	907.3593	NA	PeJP	NA	NA
+PJ075289	NKEEEEM 	C35H57N9O17S	907.3594	NA	PeJP	NA	NA
+PJ075290	AAEEYYY 	C43H53N7O15	907.36	NA	PeJP	NA	NA
+PJ075291	AAPQEMMM 	C36H61N9O12S3	907.3602	NA	PeJP	NA	NA
+PJ075292	SCNNERW 	C36H53N13O13S	907.3607	NA	PeJP	NA	NA
+PJ075293	GPMMFYY 	C44H57N7O10S2	907.3609	NA	PeJP	NA	NA
+PJ075294	CLMMHHH 	C37H57N13O8S3	907.3616	NA	PeJP	NA	NA
+PJ075295	TCHHHHH 	C37H49N17O9S	907.362	NA	PeJP	NA	NA
+PJ075296	SSSNNDER 	C32H53N13O18	907.3632	NA	PeJP	NA	NA
+PJ075297	TTTEMYY 	C40H57N7O15S	907.3634	NA	PeJP	NA	NA
+PJ075298	SSSTCMHR 	C33H57N13O13S2	907.364	NA	PeJP	NA	NA
+PJ075299	GGNNEMMR 	C33H57N13O13S2	907.3641	NA	PeJP	NA	NA
+PJ075300	GLMMMYY 	C41H61N7O10S3	907.3642	NA	PeJP	NA	NA
+PJ075301	DDMRWW 	C41H53N11O11S	907.3647	NA	PeJP	NA	NA
+PJ075302	CCKMMHR 	C34H61N13O8S4	907.3649	NA	PeJP	NA	NA
+PJ075303	SSDEERW 	C37H53N11O16	907.3672	NA	PeJP	NA	NA
+PJ075304	SPCEMRW 	C38H57N11O11S2	907.3681	NA	PeJP	NA	NA
+PJ075305	SNNNHHW 	C38H49N15O12	907.3685	NA	PeJP	NA	NA
+PJ075306	GGSNNHHW 	C38H49N15O12	907.3686	NA	PeJP	NA	NA
+PJ075307	AEMWWW 	C46H53N9O9S	907.3687	NA	PeJP	NA	NA
+PJ075308	SQEEEMR 	C34H57N11O16S	907.3706	NA	PeJP	NA	NA
+PJ075309	GTTEEWW 	C42H53N9O14	907.3712	NA	PeJP	NA	NA
+PJ075310	GGGPPDDFF 	C42H53N9O14	907.3713	NA	PeJP	NA	NA
+PJ075311	SSPPCMMR 	C35H61N11O11S3	907.3714	NA	PeJP	NA	NA
+PJ075312	PNEMMMR 	C35H61N11O11S3	907.3715	NA	PeJP	NA	NA
+PJ075313	GSPCDHHR 	C35H53N15O12S	907.3719	NA	PeJP	NA	NA
+PJ075314	GGGGGGAAMHH 	C35H53N15O12S	907.372	NA	PeJP	NA	NA
+PJ075315	GPTMMWW 	C43H57N9O9S2	907.3721	NA	PeJP	NA	NA
+PJ075316	NEHHWW 	C43H49N13O10	907.3726	NA	PeJP	NA	NA
+PJ075317	GKEEEMW 	C39H57N9O14S	907.3746	NA	PeJP	NA	NA
+PJ075318	VDYYYW 	C47H53N7O12	907.3752	NA	PeJP	NA	NA
+PJ075319	GPDFFYY 	C47H53N7O12	907.3753	NA	PeJP	NA	NA
+PJ075320	PVNMMMW 	C40H61N9O9S3	907.3755	NA	PeJP	NA	NA
+PJ075321	GSCNRWW 	C40H53N13O10S	907.3759	NA	PeJP	NA	NA
+PJ075322	GGGSCRWW 	C40H53N13O10S	907.376	NA	PeJP	NA	NA
+PJ075323	MMFFFW 	C48H57N7O7S2	907.3761	NA	PeJP	NA	NA
+PJ075324	GSTKEEEE 	C35H57N9O19	907.3771	NA	PeJP	NA	NA
+PJ075325	GSPKEEMM 	C36H61N9O14S2	907.378	NA	PeJP	NA	NA
+PJ075326	GSSSNDRW 	C36H53N13O15	907.3784	NA	PeJP	NA	NA
+PJ075327	GGGSSSDRW 	C36H53N13O15	907.3785	NA	PeJP	NA	NA
+PJ075328	APTMYYY 	C44H57N7O12S	907.3786	NA	PeJP	NA	NA
+PJ075329	APPCKMMM 	C37H65N9O9S4	907.3789	NA	PeJP	NA	NA
+PJ075330	GNNMMRW 	C37H57N13O10S2	907.3793	NA	PeJP	NA	NA
+PJ075331	ACHHFFF 	C45H53N11O8S	907.38	NA	PeJP	NA	NA
+PJ075332	PLEEEEY 	C40H57N7O17	907.3811	NA	PeJP	NA	NA
+PJ075333	SDDEMRR 	C33H57N13O15S	907.3818	NA	PeJP	NA	NA
+PJ075334	STLMMYY 	C41H61N7O12S2	907.382	NA	PeJP	NA	NA
+PJ075335	SSTNQWW 	C41H53N11O13	907.3824	NA	PeJP	NA	NA
+PJ075336	SSSQQWW 	C41H53N11O13	907.3825	NA	PeJP	NA	NA
+PJ075337	PCDMMRR 	C34H61N13O10S3	907.3827	NA	PeJP	NA	NA
+PJ075338	CNNQHHR 	C34H53N17O11S	907.3832	NA	PeJP	NA	NA
+PJ075339	PPCCFRW 	C42H57N11O8S2	907.3833	NA	PeJP	NA	NA
+PJ075340	GTEEMRW 	C38H57N11O13S	907.3858	NA	PeJP	NA	NA
+PJ075341	GGGGSKEMW 	C38H57N11O13S	907.3859	NA	PeJP	NA	NA
+PJ075342	TTEWWW 	C46H53N9O11	907.3865	NA	PeJP	NA	NA
+PJ075343	GPMMMRW 	C39H61N11O8S3	907.3867	NA	PeJP	NA	NA
+PJ075344	GHHWWW 	C47H49N13O7	907.3878	NA	PeJP	NA	NA
+PJ075345	GSTTEEER 	C34H57N11O18	907.3883	NA	PeJP	NA	NA
+PJ075346	GGGGSSTKEE 	C34H57N11O18	907.3884	NA	PeJP	NA	NA
+PJ075347	VNEEMMR 	C35H61N11O13S2	907.3892	NA	PeJP	NA	NA
+PJ075348	NNNNNRY 	C35H53N15O14	907.3897	NA	PeJP	NA	NA
+PJ075349	KEEMWW 	C43H57N9O11S	907.3899	NA	PeJP	NA	NA
+PJ075350	CKKMMMH 	C36H65N11O8S4	907.3901	NA	PeJP	NA	NA
+PJ075351	DFFFFW 	C51H53N7O9	907.3905	NA	PeJP	NA	NA
+PJ075352	GCCQRRW 	C36H57N15O9S2	907.3906	NA	PeJP	NA	NA
+PJ075353	SSPTTTEW 	C39H57N9O16	907.3923	NA	PeJP	NA	NA
+PJ075354	STKEEEW 	C39H57N9O16	907.3924	NA	PeJP	NA	NA
+PJ075355	GSSCNERR 	C32H57N15O14S	907.3931	NA	PeJP	NA	NA
+PJ075356	SPKEMMW 	C40H61N9O11S2	907.3932	NA	PeJP	NA	NA
+PJ075357	GNNDFRW 	C40H53N13O12	907.3937	NA	PeJP	NA	NA
+PJ075358	VMFYYW 	C48H57N7O9S	907.3939	NA	PeJP	NA	NA
+PJ075359	GHHHHHF 	C41H49N17O8	907.3951	NA	PeJP	NA	NA
+PJ075360	DKKEEEM 	C36H61N9O16S	907.3957	NA	PeJP	NA	NA
+PJ075361	GTLEYYY 	C44H57N7O14	907.3964	NA	PeJP	NA	NA
+PJ075362	AAPKEMMM 	C37H65N9O11S3	907.3966	NA	PeJP	NA	NA
+PJ075363	SSNQMRW 	C37H57N13O12S	907.3971	NA	PeJP	NA	NA
+PJ075364	GLMMFFY 	C45H61N7O9S2	907.3973	NA	PeJP	NA	NA
+PJ075365	NQQFWW 	C45H53N11O10	907.3977	NA	PeJP	NA	NA
+PJ075366	SSSSQQER 	C33H57N13O17	907.3996	NA	PeJP	NA	NA
+PJ075367	GEEMMRR 	C34H61N13O12S2	907.4004	NA	PeJP	NA	NA
+PJ075368	ADEMMRR 	C34H61N13O12S2	907.4005	NA	PeJP	NA	NA
+PJ075369	GSSNNHHR 	C34H53N17O13	907.4009	NA	PeJP	NA	NA
+PJ075370	TEMRWW 	C42H57N11O10S	907.4011	NA	PeJP	NA	NA
+PJ075371	APYWWW 	C50H53N9O8	907.4017	NA	PeJP	NA	NA
+PJ075372	PCCHHRR 	C35H57N17O8S2	907.4018	NA	PeJP	NA	NA
+PJ075373	STTEERW 	C38H57N11O15	907.4036	NA	PeJP	NA	NA
+PJ075374	GVEMMRW 	C39H61N11O10S2	907.4045	NA	PeJP	NA	NA
+PJ075375	GSEHHRW 	C39H53N15O11	907.4049	NA	PeJP	NA	NA
+PJ075376	SLMWWW 	C47H57N9O8S	907.4051	NA	PeJP	NA	NA
+PJ075377	SKEEEMR 	C35H61N11O15S	907.407	NA	PeJP	NA	NA
+PJ075378	SSTLEWW 	C43H57N9O13	907.4076	NA	PeJP	NA	NA
+PJ075379	PDKMMMR 	C36H65N11O10S3	907.4078	NA	PeJP	NA	NA
+PJ075380	GGGPCKKMM 	C36H65N11O10S3	907.4079	NA	PeJP	NA	NA
+PJ075381	SSCNRRW 	C36H57N15O11S	907.4083	NA	PeJP	NA	NA
+PJ075382	AALMMWW 	C44H61N9O8S2	907.4085	NA	PeJP	NA	NA
+PJ075383	DKHHWW 	C44H53N13O9	907.409	NA	PeJP	NA	NA
+PJ075384	SSSSNDRR 	C32H57N15O16	907.4108	NA	PeJP	NA	NA
+PJ075385	SVKEEMW 	C40H61N9O13S	907.411	NA	PeJP	NA	NA
+PJ075386	TLYYYW 	C48H57N7O11	907.4116	NA	PeJP	NA	NA
+PJ075387	SNNMMRR 	C33H61N15O11S2	907.4117	NA	PeJP	NA	NA
+PJ075388	PCLKMMW 	C41H65N9O8S3	907.4119	NA	PeJP	NA	NA
+PJ075389	GLQMHHW 	C41H57N13O9S	907.4123	NA	PeJP	NA	NA
+PJ075390	PPHWWW 	C49H53N11O7	907.413	NA	PeJP	NA	NA
+PJ075391	SSSLKEEE 	C36H61N9O18	907.4135	NA	PeJP	NA	NA
+PJ075392	LQKEEMM 	C37H65N9O13S2	907.4144	NA	PeJP	NA	NA
+PJ075393	GSSSTQRW 	C37H57N13O14	907.4148	NA	PeJP	NA	NA
+PJ075394	GGGGGGVERY 	C37H57N13O14	907.4149	NA	PeJP	NA	NA
+PJ075395	GVLMYYY 	C45H61N7O11S	907.415	NA	PeJP	NA	NA
+PJ075396	EMMRRW 	C38H61N13O9S2	907.4157	NA	PeJP	NA	NA
+PJ075397	VNQHHHH 	C38H53N17O10	907.4162	NA	PeJP	NA	NA
+PJ075398	LLEEEEF 	C41H61N7O16	907.4175	NA	PeJP	NA	NA
+PJ075399	STEEMRR 	C34H61N13O14S	907.4182	NA	PeJP	NA	NA
+PJ075400	SSSQKWW 	C42H57N11O12	907.4188	NA	PeJP	NA	NA
+PJ075401	GGSSTKWW 	C42H57N11O12	907.4189	NA	PeJP	NA	NA
+PJ075402	SPMMMRR 	C35H65N13O9S3	907.4191	NA	PeJP	NA	NA
+PJ075403	CNNKHHR 	C35H57N17O10S	907.4195	NA	PeJP	NA	NA
+PJ075404	GDMHHRR 	C35H57N17O10S	907.4196	NA	PeJP	NA	NA
+PJ075405	VMMRWW 	C43H61N11O7S2	907.4197	NA	PeJP	NA	NA
+PJ075406	SHHRWW 	C43H53N15O8	907.4202	NA	PeJP	NA	NA
+PJ075407	SSLEMRW 	C39H61N11O12S	907.4222	NA	PeJP	NA	NA
+PJ075408	GGGGGGGVLMF 	C39H61N11O12S	907.4223	NA	PeJP	NA	NA
+PJ075409	PKEYWW 	C47H57N9O10	907.4229	NA	PeJP	NA	NA
+PJ075410	AAMHHRW 	C40H57N15O8S	907.4236	NA	PeJP	NA	NA
+PJ075411	SSSTLEER 	C35H61N11O17	907.4247	NA	PeJP	NA	NA
+PJ075412	VDKEMMR 	C36H65N11O12S2	907.4256	NA	PeJP	NA	NA
+PJ075413	GNNERRY 	C36H57N15O13	907.4261	NA	PeJP	NA	NA
+PJ075414	ATTLMWW 	C44H61N9O10S	907.4262	NA	PeJP	NA	NA
+PJ075415	GAAPLMYW 	C44H61N9O10S	907.4263	NA	PeJP	NA	NA
+PJ075416	VFFFYW 	C52H57N7O8	907.4269	NA	PeJP	NA	NA
+PJ075417	GQHHHHR 	C37H53N19O9	907.4274	NA	PeJP	NA	NA
+PJ075418	SSSSLLEW 	C40H61N9O15	907.4287	NA	PeJP	NA	NA
+PJ075419	PDKKEEY 	C40H61N9O15	907.4288	NA	PeJP	NA	NA
+PJ075420	GSSSQMRR 	C33H61N15O13S	907.4294	NA	PeJP	NA	NA
+PJ075421	ALKEMMW 	C41H65N9O10S2	907.4296	NA	PeJP	NA	NA
+PJ075422	QQQRYW 	C41H57N13O11	907.4301	NA	PeJP	NA	NA
+PJ075423	GLMFFFF 	C49H61N7O8S	907.4303	NA	PeJP	NA	NA
+PJ075424	GTTLKEEM 	C37H65N9O15S	907.4321	NA	PeJP	NA	NA
+PJ075425	SSLLYYY 	C45H61N7O13	907.4328	NA	PeJP	NA	NA
+PJ075426	GPTLKMMM 	C38H69N9O10S3	907.433	NA	PeJP	NA	NA
+PJ075427	SSNKMRW 	C38H61N13O11S	907.4334	NA	PeJP	NA	NA
+PJ075428	GGSSKMRW 	C38H61N13O11S	907.4335	NA	PeJP	NA	NA
+PJ075429	PTRYWW 	C46H57N11O9	907.4341	NA	PeJP	NA	NA
+PJ075430	SSSSQKER 	C34H61N13O16	907.4359	NA	PeJP	NA	NA
+PJ075431	GGSSSTKER 	C34H61N13O16	907.436	NA	PeJP	NA	NA
+PJ075432	SVEMMRR 	C35H65N13O11S2	907.4368	NA	PeJP	NA	NA
+PJ075433	GGGGACCKKK 	C35H65N13O11S2	907.4369	NA	PeJP	NA	NA
+PJ075434	SSEHHRR 	C35H57N17O12	907.4373	NA	PeJP	NA	NA
+PJ075435	GTCKKWW 	C43H61N11O9S	907.4375	NA	PeJP	NA	NA
+PJ075436	ALFWWW 	C51H57N9O7	907.4381	NA	PeJP	NA	NA
+PJ075437	GSSSKKEW 	C39H61N11O14	907.44	NA	PeJP	NA	NA
+PJ075438	GSSSCRRR 	C32H61N17O12S	907.4407	NA	PeJP	NA	NA
+PJ075439	ATLMMRW 	C40H65N11O9S2	907.4408	NA	PeJP	NA	NA
+PJ075440	SVVMMRW 	C40H65N11O9S2	907.4409	NA	PeJP	NA	NA
+PJ075441	NNRRYW 	C40H57N15O10	907.4413	NA	PeJP	NA	NA
+PJ075442	ASTTLEMR 	C36H65N11O14S	907.4433	NA	PeJP	NA	NA
+PJ075443	GTTTLEMR 	C36H65N11O14S	907.4434	NA	PeJP	NA	NA
+PJ075444	TTTTLWW 	C44H61N9O12	907.444	NA	PeJP	NA	NA
+PJ075445	VLQMMMR 	C37H69N11O9S3	907.4442	NA	PeJP	NA	NA
+PJ075446	GNQMFRR 	C37H61N15O10S	907.4447	NA	PeJP	NA	NA
+PJ075447	ALHHHFF 	C45H57N13O8	907.4453	NA	PeJP	NA	NA
+PJ075448	GPKHHFW 	C45H57N13O8	907.4454	NA	PeJP	NA	NA
+PJ075449	SSSSTQRR 	C33H61N15O15	907.4472	NA	PeJP	NA	NA
+PJ075450	TTLKEMW 	C41H65N9O12S	907.4474	NA	PeJP	NA	NA
+PJ075451	GVLFFYY 	C49H61N7O10	907.448	NA	PeJP	NA	NA
+PJ075452	SCQKMRR 	C34H65N15O10S2	907.4481	NA	PeJP	NA	NA
+PJ075453	PMRRYW 	C42H61N13O8S	907.4487	NA	PeJP	NA	NA
+PJ075454	STTTLKEE 	C37H65N9O17	907.4499	NA	PeJP	NA	NA
+PJ075455	SPTTLKMM 	C38H69N9O12S2	907.4507	NA	PeJP	NA	NA
+PJ075456	LKKEEMM 	C38H69N9O12S2	907.4508	NA	PeJP	NA	NA
+PJ075457	GSSSTKRW 	C38H61N13O13	907.4512	NA	PeJP	NA	NA
+PJ075458	GGGGGGGAPPPK 	C38H61N13O13	907.4513	NA	PeJP	NA	NA
+PJ075459	GCKKMRW 	C39H65N13O8S2	907.4521	NA	PeJP	NA	NA
+PJ075460	PPQHHHR 	C39H57N17O9	907.4526	NA	PeJP	NA	NA
+PJ075461	LLLEEEY 	C42H65N7O15	907.4539	NA	PeJP	NA	NA
+PJ075462	GSSDKKMR 	C35H65N13O13S	907.4546	NA	PeJP	NA	NA
+PJ075463	SSSKKWW 	C43H61N11O11	907.4552	NA	PeJP	NA	NA
+PJ075464	GGGGALKYW 	C43H61N11O11	907.4553	NA	PeJP	NA	NA
+PJ075465	ALMMMRR 	C36H69N13O8S3	907.4555	NA	PeJP	NA	NA
+PJ075466	GCNFRRR 	C36H61N17O9S	907.4559	NA	PeJP	NA	NA
+MJ097435	Albopeptin B; N-Deoxy 	C40H65N11O11S	907.458572	NA	MeJP	NA	NA
+PJ075467	TTTLMRW 	C40H65N11O11S	907.4586	NA	PeJP	NA	NA
+PJ075468	LLQYWW 	C48H61N9O9	907.4593	NA	PeJP	NA	NA
+PJ075469	STTTTLER 	C36H65N11O16	907.4611	NA	PeJP	NA	NA
+PJ075470	TLKEMMR 	C37H69N11O11S2	907.462	NA	PeJP	NA	NA
+PJ075471	GTQQRRY 	C37H61N15O12	907.4624	NA	PeJP	NA	NA
+PJ075472	EERRRY 	C37H61N15O12	907.4625	NA	PeJP	NA	NA
+PJ075473	APLKMYW 	C45H65N9O9S	907.4626	NA	PeJP	NA	NA
+PJ075474	GKHHHHR 	C38H57N19O8	907.4638	NA	PeJP	NA	NA
+PJ075475	SSTTTLLW 	C41H65N9O14	907.4651	NA	PeJP	NA	NA
+PJ075476	GGPPPLLEE 	C41H65N9O14	907.4652	NA	PeJP	NA	NA
+PJ075477	GSSSKMRR 	C34H65N15O12S	907.4658	NA	PeJP	NA	NA
+PJ075478	SLLKMMW 	C42H69N9O9S2	907.466	NA	PeJP	NA	NA
+PJ075479	VERRYW 	C42H61N13O10	907.4665	NA	PeJP	NA	NA
+PJ075480	SSTLLKEM 	C38H69N9O14S	907.4685	NA	PeJP	NA	NA
+PJ075481	AALLKMMM 	C39H73N9O9S3	907.4694	NA	PeJP	NA	NA
+PJ075482	STCKKRW 	C39H65N13O10S	907.4698	NA	PeJP	NA	NA
+PJ075483	GGPCKKRY 	C39H65N13O10S	907.4699	NA	PeJP	NA	NA
+PJ075484	VVRYWW 	C47H61N11O8	907.4705	NA	PeJP	NA	NA
+PJ075485	SSSSKKER 	C35H65N13O15	907.4723	NA	PeJP	NA	NA
+PJ075486	TTLMMRR 	C36H69N13O10S2	907.4732	NA	PeJP	NA	NA
+PJ075487	GSNRRRY 	C36H61N17O11	907.4737	NA	PeJP	NA	NA
+PJ075488	GVLMFRW 	C44H65N11O8S	907.4739	NA	PeJP	NA	NA
+PJ075489	GSTTTKKW 	C40H65N11O13	907.4764	NA	PeJP	NA	NA
+PJ075490	GKKKMMW 	C41H69N11O8S2	907.4772	NA	PeJP	NA	NA
+PJ075491	GPQKHRW 	C41H61N15O9	907.4777	NA	PeJP	NA	NA
+PJ075492	SSTTLLMR 	C37H69N11O13S	907.4797	NA	PeJP	NA	NA
+PJ075493	GLLKEYW 	C45H65N9O11	907.4804	NA	PeJP	NA	NA
+PJ075494	VLKMMMR 	C38H73N11O8S3	907.4806	NA	PeJP	NA	NA
+PJ075495	GNKMFRR 	C38H65N15O9S	907.4811	NA	PeJP	NA	NA
+PJ075496	PFFRRW 	C46H61N13O7	907.4817	NA	PeJP	NA	NA
+PJ075497	SSSSTKRR 	C34H65N15O14	907.4836	NA	PeJP	NA	NA
+PJ075498	PLKKEMY 	C42H69N9O11S	907.4838	NA	PeJP	NA	NA
+PJ075499	SCKKMRR 	C35H69N15O9S2	907.4845	NA	PeJP	NA	NA
+PJ075500	LMFRRW 	C43H65N13O7S	907.4851	NA	PeJP	NA	NA
+PJ075501	SSSSTTLLL 	C38H69N9O16	907.4862	NA	PeJP	NA	NA
+PJ075502	SSSSTTILL 	C38H69N9O16	907.4863	NA	PeJP	NA	NA
+PJ075503	ATTLLKMM 	C39H73N9O11S2	907.4871	NA	PeJP	NA	NA
+PJ075504	ATLERRY 	C39H65N13O12	907.4876	NA	PeJP	NA	NA
+PJ075505	GVHHFRR 	C40H61N17O8	907.489	NA	PeJP	NA	NA
+PJ075506	GSTTKKMR 	C36H69N13O12S	907.491	NA	PeJP	NA	NA
+PJ075507	GTLLRYW 	C44H65N11O10	907.4916	NA	PeJP	NA	NA
+PJ075508	STKKKMW 	C41H69N11O10S	907.495	NA	PeJP	NA	NA
+PJ075509	LLKYWW 	C49H65N9O8	907.4956	NA	PeJP	NA	NA
+PJ075510	PPPLLWW 	C49H65N9O8	907.4957	NA	PeJP	NA	NA
+PJ075511	SSTTKKKE 	C37H69N11O15	907.4975	NA	PeJP	NA	NA
+PJ075512	DKKKKMM 	C38H73N11O10S2	907.4984	NA	PeJP	NA	NA
+PJ075513	GTQKRRY 	C38H65N15O11	907.4988	NA	PeJP	NA	NA
+PJ075514	GGPKKEHR 	C38H65N15O11	907.4989	NA	PeJP	NA	NA
+PJ075515	ALLKMFW 	C46H69N9O8S	907.499	NA	PeJP	NA	NA
+PJ075516	HHFRRR 	C39H61N19O7	907.5002	NA	PeJP	NA	NA
+PJ075517	VLKKEEY 	C42H69N9O13	907.5015	NA	PeJP	NA	NA
+PJ075518	QKKRYW 	C43H65N13O9	907.5029	NA	PeJP	NA	NA
+PJ075519	TTTTLLKM 	C39H73N9O13S	907.5049	NA	PeJP	NA	NA
+PJ075520	GLLMRRY 	C40H69N13O9S	907.5062	NA	PeJP	NA	NA
+PJ075521	SSTTTKKR 	C36H69N13O14	907.5087	NA	PeJP	NA	NA
+PJ075522	SKKKMMR 	C37H73N13O9S2	907.5096	NA	PeJP	NA	NA
+MJ097436	Boromycinyl 	C46H74BNO16	907.510065	NA	MeJP	NA	NA
+PJ075523	SPQKHRR 	C37H65N17O10	907.5101	NA	PeJP	NA	NA
+PJ075524	SLLKERY 	C41H69N11O12	907.5127	NA	PeJP	NA	NA
+PJ075525	TLLDKRY 	C41H69N11O12	907.5128	NA	PeJP	NA	NA
+PJ075526	GPKKHRW 	C42H65N15O8	907.5141	NA	PeJP	NA	NA
+PJ075527	SSSLKKKM 	C38H73N11O12S	907.5161	NA	PeJP	NA	NA
+PJ075528	SVLLKYW 	C46H69N9O10	907.5168	NA	PeJP	NA	NA
+PJ075529	ACKKFRR 	C39H69N15O8S	907.5175	NA	PeJP	NA	NA
+PJ075530	LLLQKMY 	C43H73N9O10S	907.5201	NA	PeJP	NA	NA
+PJ075531	GALLLKMY 	C43H73N9O10S	907.5202	NA	PeJP	NA	NA
+PJ075532	GVQHRRR 	C36H65N19O9	907.5213	NA	PeJP	NA	NA
+PJ075533	STLLRRY 	C40H69N13O11	907.524	NA	PeJP	NA	NA
+PJ075534	GVKKKYW 	C45H69N11O9	907.528	NA	PeJP	NA	NA
+PJ075535	VVLKMRY 	C42H73N11O9S	907.5314	NA	PeJP	NA	NA
+PJ075536	QHRRRR 	C35H65N21O8	907.5325	NA	PeJP	NA	NA
+PJ075537	GAHRRRR 	C35H65N21O8	907.5326	NA	PeJP	NA	NA
+PJ075538	TTTTTKKK 	C38H73N11O14	907.5339	NA	PeJP	NA	NA
+PJ075539	GTKKRRY 	C39H69N15O10	907.5352	NA	PeJP	NA	NA
+PJ075540	GTTLLLKY 	C43H73N9O12	907.5379	NA	PeJP	NA	NA
+PJ075541	KKKRYW 	C44H69N13O8	907.5392	NA	PeJP	NA	NA
+PJ075542	ALLLHRW 	C44H69N13O8	907.5393	NA	PeJP	NA	NA
+PJ075543	AKKKMFR 	C41H73N13O8S	907.5426	NA	PeJP	NA	NA
+PJ075544	PPVQRRR 	C38H69N17O9	907.5465	NA	PeJP	NA	NA
+PJ075545	VDKKKKY 	C42H73N11O11	907.5491	NA	PeJP	NA	NA
+PJ075546	APPLLLER 	C42H73N11O11	907.5492	NA	PeJP	NA	NA
+PJ075547	GPPLLLLW 	C47H73N9O9	907.5532	NA	PeJP	NA	NA
+PJ075548	LLLKKMY 	C44H77N9O9S	907.5565	NA	PeJP	NA	NA
+PJ075549	APPRRRR 	C37H69N19O8	907.5577	NA	PeJP	NA	NA
+PJ075550	SVKKKRY 	C41H73N13O10	907.5604	NA	PeJP	NA	NA
+PJ075551	VLLLKHW 	C46H73N11O8	907.5644	NA	PeJP	NA	NA
+PJ075552	VKKKKMF 	C43H77N11O8S	907.5678	NA	PeJP	NA	NA
+PJ075553	KHRRRR 	C36H69N21O7	907.5689	NA	PeJP	NA	NA
+7876	peptide derived from bovine b-casein (169-176)	KVLPVPQK	907.57	antibacterial	Inhouse_peptide	NA	peptide
+PJ075554	TLLLHRR 	C40H73N15O9	907.5716	NA	PeJP	NA	NA
+PJ075555	PPVLLLKE 	C44H77N9O11	907.5743	NA	PeJP	NA	NA
+PJ075556	ALKKHRR 	C39H73N17O8	907.5828	NA	PeJP	NA	NA
+PJ075557	PPVKRRR 	C39H73N17O8	907.5829	NA	PeJP	NA	NA
+PJ075558	TLKKKKY 	C43H77N11O10	907.5855	NA	PeJP	NA	NA
+PJ075559	LLLKKFF 	C48H77N9O8	907.5896	NA	PeJP	NA	NA
+PJ075560	GPPLLKKR 	C42H77N13O9	907.5968	NA	PeJP	NA	NA
+MJ097437	Dunaimycin D2S; 19-Deoxy, 18,19-didehydro 	C50H85NO13	907.602091	NA	MeJP	NA	NA
+PJ075561	VLKKKHR 	C41H77N15O8	907.608	NA	PeJP	NA	NA
+PJ075562	PVLLLLLQ 	C45H81N9O10	907.6107	NA	PeJP	NA	NA
+PJ075563	APLLLLLR 	C44H81N11O9	907.6219	NA	PeJP	NA	NA
+PJ075564	PVLLLLLK 	C46H85N9O9	907.6471	NA	PeJP	NA	NA
+8109	peptide derived from hoki frame protein (Johnius belengerii)	ESTVPERTHPACPDFN	907.8839	MH2+	Inhouse_peptide	NA	peptide
+MJ097438	4-O-Brevifolincarbonyl-1-O-galloyl-3,6-O-hexahydroxydiphenoyl-?-D-glucopyranose 	C40H28O25	908.091966	NA	MeJP	NA	NA
+MJ097439	Acalyphidin M1 	C40H28O25	908.091966	NA	MeJP	NA	NA
+MJ097440	Heterophylliin E 	C40H28O25	908.091966	NA	MeJP	NA	NA
+MJ097441	2-(4-Hydroxyphenyl)ethanol; 1-O-[2,3,4,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranoside] 	C42H36O23	908.164737	NA	MeJP	NA	NA
+PJ075565	CCCCCDEM 	C29H48N8O13S6	908.1666	NA	PeJP	NA	NA
+PJ075566	GSCCCCCCQ 	C28H48N10O12S6	908.1778	NA	PeJP	NA	NA
+PJ075567	SSSCCCCCN 	C28H48N10O14S5	908.1955	NA	PeJP	NA	NA
+PJ075568	PCCCCCDY 	C33H48N8O12S5	908.1996	NA	PeJP	NA	NA
+PJ075569	SCCCCEMM 	C30H52N8O12S6	908.2029	NA	PeJP	NA	NA
+PJ075570	CCCCCNNF 	C32H48N10O11S5	908.2108	NA	PeJP	NA	NA
+PJ075571	GSCCCCCCK 	C29H52N10O11S6	908.2142	NA	PeJP	NA	NA
+PJ075572	GCCCDDMY 	C33H48N8O14S4	908.2173	NA	PeJP	NA	NA
+PJ075573	PCCCCCMF 	C34H52N8O9S6	908.2182	NA	PeJP	NA	NA
+PJ075574	GCCCMMMM 	C31H56N8O9S7	908.2216	NA	PeJP	NA	NA
+PJ075575	TCCCCCHH 	C31H48N12O10S5	908.222	NA	PeJP	NA	NA
+PJ075576	SCCDDDDH 	C31H44N10O18S2	908.2277	NA	PeJP	NA	NA
+PJ075577	SCCCCNNY 	C32H48N10O13S4	908.2285	NA	PeJP	NA	NA
+PJ075578	GGSCCCCNY 	C32H48N10O13S4	908.2286	NA	PeJP	NA	NA
+PJ075579	CCCCEYW 	C37H48N8O11S4	908.2326	NA	PeJP	NA	NA
+PJ075580	PCDDDDDD 	C32H44N8O21S	908.2342	NA	PeJP	NA	NA
+PJ075581	SSCCCDEY 	C33H48N8O16S3	908.2351	NA	PeJP	NA	NA
+PJ075582	SPCCCCMY 	C34H52N8O11S5	908.2359	NA	PeJP	NA	NA
+PJ075583	GCCCDMMF 	C34H52N8O11S5	908.236	NA	PeJP	NA	NA
+PJ075584	STCCCMMM 	C31H56N8O11S6	908.2393	NA	PeJP	NA	NA
+PJ075585	GCCDDEMH 	C32H48N10O15S3	908.2463	NA	PeJP	NA	NA
+PJ075586	GCCCDDFF 	C37H48N8O13S3	908.2503	NA	PeJP	NA	NA
+PJ075587	GDDDDDEE 	C32H44N8O23	908.252	NA	PeJP	NA	NA
+PJ075588	GSCCDMMY 	C34H52N8O13S4	908.2537	NA	PeJP	NA	NA
+PJ075589	GCCCCHHF 	C35H48N12O9S4	908.2551	NA	PeJP	NA	NA
+PJ075590	SCCCNNEH 	C31H48N12O14S3	908.2575	NA	PeJP	NA	NA
+PJ075591	GGSCCCNEH 	C31H48N12O14S3	908.2576	NA	PeJP	NA	NA
+MJ097442	Diphyllin; O-[?-D-Apiofuranosyl-(1?3)-?-L-arabinopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?5)]-?-D-apiofuranoside] 	C41H48O23	908.258637	NA	MeJP	NA	NA
+PJ075592	CCDDMHW 	C36H48N10O12S3	908.2616	NA	PeJP	NA	NA
+PJ075593	SNNDDDDD 	C31H44N10O22	908.2632	NA	PeJP	NA	NA
+PJ075594	SSCDDDMH 	C32H48N10O17S2	908.2641	NA	PeJP	NA	NA
+PJ075595	SPCCCEMH 	C33H52N10O12S4	908.2649	NA	PeJP	NA	NA
+PJ075596	DDDDDEW 	C36H44N8O20	908.2672	NA	PeJP	NA	NA
+PJ075597	CCNDEYY 	C37H48N8O15S2	908.2681	NA	PeJP	NA	NA
+PJ075598	TCCCMYW 	C38H52N8O10S4	908.269	NA	PeJP	NA	NA
+PJ075599	SPDDDDDM 	C33H48N8O20S	908.2706	NA	PeJP	NA	NA
+PJ075600	SSSCCEMY 	C34H52N8O15S3	908.2715	NA	PeJP	NA	NA
+PJ075601	CCQMMMY 	C35H56N8O10S5	908.2723	NA	PeJP	NA	NA
+PJ075602	GSCCCNHW 	C35H48N12O11S3	908.2728	NA	PeJP	NA	NA
+PJ075603	GSSSCCNDH 	C31H48N12O16S2	908.2753	NA	PeJP	NA	NA
+PJ075604	GCCNNMMH 	C32H52N12O11S4	908.2762	NA	PeJP	NA	NA
+PJ075605	GPCCNDDW 	C36H48N10O14S2	908.2793	NA	PeJP	NA	NA
+PJ075606	PPCCCCHF 	C37H52N10O9S4	908.2802	NA	PeJP	NA	NA
+PJ075607	GNNDDDEM 	C32H48N10O19S	908.2818	NA	PeJP	NA	NA
+PJ075608	GGGGGDDDEM 	C32H48N10O19S	908.2819	NA	PeJP	NA	NA
+PJ075609	GSCDEMMH 	C33H52N10O14S3	908.2827	NA	PeJP	NA	NA
+MJ097443	Leachianol C 	C56H44O12	908.283276	NA	MeJP	NA	NA
+PJ075610	GCCDYYW 	C41H48N8O12S2	908.2833	NA	PeJP	NA	NA
+PJ075611	CCCMMRY 	C34H56N10O9S5	908.2836	NA	PeJP	NA	NA
+PJ075612	GSSCDDYY 	C37H48N8O17S	908.2858	NA	PeJP	NA	NA
+PJ075613	CCNNNNNN 	C30H48N14O15S2	908.2865	NA	PeJP	NA	NA
+PJ075614	GGGGGGCCNNN 	C30H48N14O15S2	908.2866	NA	PeJP	NA	NA
+PJ075615	GPTCCCYY 	C38H52N8O12S3	908.2867	NA	PeJP	NA	NA
+PJ075616	GCCCCQHR 	C31H52N14O10S4	908.2874	NA	PeJP	NA	NA
+PJ075617	GSDDEEEE 	C33H48N8O22	908.2884	NA	PeJP	NA	NA
+PJ075618	GPDDDEMM 	C34H52N8O17S2	908.2892	NA	PeJP	NA	NA
+PJ075619	GSSCMMMY 	C35H56N8O12S4	908.2901	NA	PeJP	NA	NA
+PJ075620	GCCNNDHF 	C35H48N12O13S2	908.2906	NA	PeJP	NA	NA
+PJ075621	GCNDDDDR 	C31H48N12O18S	908.2931	NA	PeJP	NA	NA
+PJ075622	SSCCNQMH 	C32H52N12O13S3	908.2939	NA	PeJP	NA	NA
+PJ075623	GGGGGGPCCNM 	C32H52N12O13S3	908.294	NA	PeJP	NA	NA
+PJ075624	NNDDDMW 	C36H48N10O16S	908.2971	NA	PeJP	NA	NA
+PJ075625	SCDMMHW 	C37H52N10O11S3	908.2979	NA	PeJP	NA	NA
+PJ075626	TCCEMHW 	C37H52N10O11S3	908.298	NA	PeJP	NA	NA
+PJ075627	SSNNDDEE 	C32H48N10O21	908.2996	NA	PeJP	NA	NA
+PJ075628	SSSDDMMH 	C33H52N10O16S2	908.3005	NA	PeJP	NA	NA
+PJ075629	NDMMMMH 	C34H56N10O11S4	908.3013	NA	PeJP	NA	NA
+PJ075630	GSCCEHHH 	C34H48N14O12S2	908.3018	NA	PeJP	NA	NA
+PJ075631	GCCMFYW 	C42H52N8O9S3	908.302	NA	PeJP	NA	NA
+PJ075632	SDDEEEW 	C37H48N8O19	908.3036	NA	PeJP	NA	NA
+PJ075633	PDDDMMW 	C38H52N8O14S2	908.3045	NA	PeJP	NA	NA
+PJ075634	SSCCCNHR 	C31H52N14O12S3	908.3052	NA	PeJP	NA	NA
+PJ075635	CCQMMFF 	C39H56N8O9S4	908.3053	NA	PeJP	NA	NA
+PJ075636	GACCMMFF 	C39H56N8O9S4	908.3054	NA	PeJP	NA	NA
+PJ075637	NEEEEEM 	C34H52N8O19S	908.307	NA	PeJP	NA	NA
+PJ075638	SSSTCMMY 	C35H56N8O14S3	908.3078	NA	PeJP	NA	NA
+PJ075639	SPPCDEMM 	C35H56N8O14S3	908.3079	NA	PeJP	NA	NA
+PJ075640	GSCNNNDW 	C35H48N12O15S	908.3083	NA	PeJP	NA	NA
+PJ075641	CCKMMMY 	C36H60N8O9S5	908.3087	NA	PeJP	NA	NA
+PJ075642	GSSSNNNDD 	C31H48N12O20	908.3108	NA	PeJP	NA	NA
+PJ075643	SPCCNDDR 	C32H52N12O15S2	908.3117	NA	PeJP	NA	NA
+PJ075644	GCNDEWW 	C40H48N10O13S	908.3123	NA	PeJP	NA	NA
+PJ075645	GGGCDEWW 	C40H48N10O13S	908.3124	NA	PeJP	NA	NA
+PJ075646	CCEMMHR 	C33H56N12O10S4	908.3126	NA	PeJP	NA	NA
+PJ075647	GSSNDDEW 	C36H48N10O18	908.3148	NA	PeJP	NA	NA
+PJ075648	GGGSTDDDW 	C36H48N10O18	908.3149	NA	PeJP	NA	NA
+PJ075649	GSPCNDMW 	C37H52N10O13S2	908.3157	NA	PeJP	NA	NA
+PJ075650	ACMMMHW 	C38H56N10O8S4	908.3166	NA	PeJP	NA	NA
+PJ075651	SCCHHHW 	C38H48N14O9S2	908.317	NA	PeJP	NA	NA
+PJ075652	DDDEEMR 	C33H52N10O18S	908.3182	NA	PeJP	NA	NA
+PJ075653	PDDDDFW 	C41H48N8O16	908.3189	NA	PeJP	NA	NA
+PJ075654	GSSEMMMH 	C34H56N10O13S3	908.3191	NA	PeJP	NA	NA
+PJ075655	SSSCDHHH 	C34H48N14O14S	908.3196	NA	PeJP	NA	NA
+PJ075656	GSCMYYW 	C42H52N8O11S2	908.3197	NA	PeJP	NA	NA
+PJ075657	CNMMHHH 	C35H52N14O9S3	908.3204	NA	PeJP	NA	NA
+PJ075658	GEEEEMW 	C38H52N8O16S	908.3222	NA	PeJP	NA	NA
+PJ075659	GCCNNNER 	C31H52N14O14S2	908.3229	NA	PeJP	NA	NA
+PJ075660	GGGGGGGCCER 	C31H52N14O14S2	908.323	NA	PeJP	NA	NA
+PJ075661	GNMMMYY 	C39H56N8O11S3	908.3231	NA	PeJP	NA	NA
+PJ075662	PCDDHHW 	C39H48N12O12S	908.3236	NA	PeJP	NA	NA
+PJ075663	GCCCCKHR 	C32H56N14O9S4	908.3238	NA	PeJP	NA	NA
+PJ075664	GSTEEEEE 	C34H52N8O21	908.3247	NA	PeJP	NA	NA
+PJ075665	GSPEEEMM 	C35H56N8O16S2	908.3256	NA	PeJP	NA	NA
+PJ075666	GNNNNDDF 	C35H48N12O17	908.3261	NA	PeJP	NA	NA
+PJ075667	GPPDMMMM 	C36H60N8O11S4	908.3265	NA	PeJP	NA	NA
+PJ075668	CNNNQMW 	C36H52N12O12S2	908.3269	NA	PeJP	NA	NA
+PJ075669	GGGGCNQMW 	C36H52N12O12S2	908.327	NA	PeJP	NA	NA
+PJ075670	CNDWWW 	C44H48N10O10S	908.3276	NA	PeJP	NA	NA
+PJ075671	ASCNDDER 	C32H52N12O17S	908.3294	NA	PeJP	NA	NA
+PJ075672	GSNDDDMR 	C32H52N12O17S	908.3295	NA	PeJP	NA	NA
+PJ075673	SSNDDWW 	C40H48N10O15	908.3301	NA	PeJP	NA	NA
+PJ075674	GPCCNEMR 	C33H56N12O12S3	908.3303	NA	PeJP	NA	NA
+PJ075675	GCNNNNHH 	C33H48N16O13S	908.3308	NA	PeJP	NA	NA
+PJ075676	SPCCQWW 	C41H52N10O10S2	908.331	NA	PeJP	NA	NA
+MJ097444	Hedyotol C; 4,4''-Di-O-?-D-glucopyranoside 	C43H56O21	908.331408	NA	MeJP	NA	NA
+MJ097445	Jasurolignoside 	C43H56O21	908.331408	NA	MeJP	NA	NA
+MJ097446	Longifloroside C 	C43H56O21	908.331408	NA	MeJP	NA	NA
+C06407	Precorrin 4	C44H52N4O17	908.3327	NA	KEGG	NA	NA
+MJ097447	Precorrin 4 	C44H52N4O17	908.332746	NA	MeJP	NA	NA
+MetaCyc04288	precorrin-4 []	C44H52N4O17	908.332746	NA	metacyc	NA	NA
+PJ075677	SNNEEMW 	C37H52N10O15S	908.3335	NA	PeJP	NA	NA
+PJ075678	SSMMMHW 	C38H56N10O10S3	908.3343	NA	PeJP	NA	NA
+PJ075679	GGGAPCMMW 	C38H56N10O10S3	908.3344	NA	PeJP	NA	NA
+PJ075680	CNDHHHF 	C38H48N14O11S	908.3348	NA	PeJP	NA	NA
+PJ075681	GCCFFFW 	C46H52N8O8S2	908.335	NA	PeJP	NA	NA
+PJ075682	SSSNQEEE 	C33H52N10O20	908.336	NA	PeJP	NA	NA
+PJ075683	SSSTEMMH 	C34H56N10O15S2	908.3368	NA	PeJP	NA	NA
+PJ075684	GGGAQEEMM 	C34H56N10O15S2	908.3369	NA	PeJP	NA	NA
+PJ075685	DDDDHHR 	C34H48N14O16	908.3373	NA	PeJP	NA	NA
+PJ075686	EEEMWW 	C42H52N8O13S	908.3375	NA	PeJP	NA	NA
+PJ075687	TQMMMMH 	C35H60N10O10S4	908.3377	NA	PeJP	NA	NA
+PJ075688	CCNNNRW 	C35H52N14O11S2	908.3382	NA	PeJP	NA	NA
+PJ075689	STEEEEW 	C38H52N8O18	908.34	NA	PeJP	NA	NA
+PJ075690	SSCNNNDR 	C31H52N14O16S	908.3407	NA	PeJP	NA	NA
+PJ075691	SSQMMYY 	C39H56N8O13S2	908.3408	NA	PeJP	NA	NA
+PJ075692	SPEEMMW 	C39H56N8O13S2	908.3409	NA	PeJP	NA	NA
+PJ075693	GDEEHHW 	C39H48N12O14	908.3413	NA	PeJP	NA	NA
+PJ075694	GPCCCDRR 	C32H56N14O11S3	908.3416	NA	PeJP	NA	NA
+PJ075695	CCKMMFF 	C40H60N8O8S4	908.3417	NA	PeJP	NA	NA
+PJ075696	DKEEEEM 	C35H56N8O18S	908.3434	NA	PeJP	NA	NA
+PJ075697	AAPEEMMM 	C36H60N8O13S3	908.3442	NA	PeJP	NA	NA
+PJ075698	SCNDERW 	C36H52N12O14S	908.3447	NA	PeJP	NA	NA
+PJ075699	PCCNMRW 	C37H56N12O9S3	908.3456	NA	PeJP	NA	NA
+PJ075700	CMHFWW 	C45H52N10O7S2	908.3462	NA	PeJP	NA	NA
+PJ075701	SSSNDDER 	C32H52N12O19	908.3472	NA	PeJP	NA	NA
+PJ075702	NNDEMMR 	C33H56N12O14S2	908.3481	NA	PeJP	NA	NA
+PJ075703	GSNEMWW 	C41H52N10O12S	908.3487	NA	PeJP	NA	NA
+PJ075704	TCMMMHR 	C34H60N12O9S4	908.3489	NA	PeJP	NA	NA
+PJ075705	PPCCCCKR 	C34H60N12O9S4	908.349	NA	PeJP	NA	NA
+PJ075706	GSSSQEEW 	C37H52N10O17	908.3512	NA	PeJP	NA	NA
+PJ075707	GGGGGAEEEF 	C37H52N10O17	908.3513	NA	PeJP	NA	NA
+PJ075708	GQQEMMW 	C38H56N10O12S2	908.3521	NA	PeJP	NA	NA
+PJ075709	SNNDHHW 	C38H48N14O13	908.3526	NA	PeJP	NA	NA
+PJ075710	CQFYYW 	C46H52N8O10S	908.3527	NA	PeJP	NA	NA
+PJ075711	SEEEEMR 	C34H56N10O17S	908.3546	NA	PeJP	NA	NA
+PJ075712	APDEEYW 	C42H52N8O15	908.3552	NA	PeJP	NA	NA
+PJ075713	GPEEEYW 	C42H52N8O15	908.3553	NA	PeJP	NA	NA
+PJ075714	PDEMMMR 	C35H60N10O12S3	908.3555	NA	PeJP	NA	NA
+PJ075715	SSSSMHHH 	C35H52N14O13S	908.3559	NA	PeJP	NA	NA
+PJ075716	GGGGQEMHH 	C35H52N14O13S	908.356	NA	PeJP	NA	NA
+PJ075717	PPCEMFW 	C43H56N8O10S2	908.3561	NA	PeJP	NA	NA
+PJ075718	DEHHWW 	C43H48N12O11	908.3566	NA	PeJP	NA	NA
+PJ075719	SVEEEMW 	C39H56N8O15S	908.3586	NA	PeJP	NA	NA
+PJ075720	CNDDMRR 	C32H56N14O13S2	908.3593	NA	PeJP	NA	NA
+PJ075721	PVDMMMW 	C40H60N8O10S3	908.3595	NA	PeJP	NA	NA
+PJ075722	GSCDRWW 	C40H52N12O11S	908.36	NA	PeJP	NA	NA
+PJ075723	SSSLEEEE 	C35H56N8O20	908.3611	NA	PeJP	NA	NA
+PJ075724	LQEEEMM 	C36H60N8O15S2	908.362	NA	PeJP	NA	NA
+PJ075725	SSSSNNQW 	C36H52N12O16	908.3624	NA	PeJP	NA	NA
+PJ075726	GSSSDDRW 	C36H52N12O16	908.3625	NA	PeJP	NA	NA
+PJ075727	APPTMMMM 	C37H64N8O10S4	908.3629	NA	PeJP	NA	NA
+PJ075728	GNDMMRW 	C37H56N12O11S2	908.3633	NA	PeJP	NA	NA
+PJ075729	GGGGGGCKMW 	C37H56N12O11S2	908.3634	NA	PeJP	NA	NA
+PJ075730	SNMWWW 	C45H52N10O9S	908.364	NA	PeJP	NA	NA
+PJ075731	GSSNEEMR 	C33H56N12O16S	908.3658	NA	PeJP	NA	NA
+PJ075732	GGGGGGSSDKM 	C33H56N12O16S	908.3659	NA	PeJP	NA	NA
+PJ075733	SSSQEWW 	C41H52N10O14	908.3665	NA	PeJP	NA	NA
+PJ075734	GSPCQMMR 	C34H60N12O11S3	908.3667	NA	PeJP	NA	NA
+PJ075735	CNNEHHR 	C34H52N16O12S	908.3672	NA	PeJP	NA	NA
+PJ075736	QQMMWW 	C42H56N10O9S2	908.3673	NA	PeJP	NA	NA
+PJ075737	GAQMMWW 	C42H56N10O9S2	908.3674	NA	PeJP	NA	NA
+PJ075738	STQQEMW 	C38H56N10O14S	908.3698	NA	PeJP	NA	NA
+PJ075739	SNDKEMW 	C38H56N10O14S	908.3699	NA	PeJP	NA	NA
+PJ075740	PEEYWW 	C46H52N8O12	908.3705	NA	PeJP	NA	NA
+PJ075741	GGGSCCNRR 	C31H56N16O12S2	908.3706	NA	PeJP	NA	NA
+PJ075742	PCNKMMW 	C39H60N10O9S3	908.3707	NA	PeJP	NA	NA
+PJ075743	GNQMHHW 	C39H52N14O10S	908.3712	NA	PeJP	NA	NA
+PJ075744	SSTTQQEE 	C34H56N10O19	908.3723	NA	PeJP	NA	NA
+PJ075745	SSSNKEEE 	C34H56N10O19	908.3724	NA	PeJP	NA	NA
+PJ075746	VDEEMMR 	C35H60N10O14S2	908.3732	NA	PeJP	NA	NA
+PJ075747	NNNNDRY 	C35H52N14O15	908.3737	NA	PeJP	NA	NA
+PJ075748	SPPEMYW 	C43H56N8O12S	908.3739	NA	PeJP	NA	NA
+PJ075749	TKMMMMH 	C36H64N10O9S4	908.3741	NA	PeJP	NA	NA
+PJ075750	GCCERRW 	C36H56N14O10S2	908.3746	NA	PeJP	NA	NA
+PJ075751	NNNHHHH 	C36H48N18O11	908.375	NA	PeJP	NA	NA
+PJ075752	GGGGNHHHH 	C36H48N18O11	908.3751	NA	PeJP	NA	NA
+PJ075753	SSSTTTYY 	C39H56N8O17	908.3764	NA	PeJP	NA	NA
+PJ075754	GSSCDERR 	C32H56N14O15S	908.3771	NA	PeJP	NA	NA
+PJ075755	ALEEMMW 	C40H60N8O12S2	908.3772	NA	PeJP	NA	NA
+PJ075756	VVDEMMW 	C40H60N8O12S2	908.3773	NA	PeJP	NA	NA
+PJ075757	GNNQQYW 	C40H52N12O13	908.3777	NA	PeJP	NA	NA
+PJ075758	GSPCCMRR 	C33H60N14O10S3	908.3779	NA	PeJP	NA	NA
+PJ075759	CQMRWW 	C41H56N12O8S2	908.3786	NA	PeJP	NA	NA
+PJ075760	PTTTTEEM 	C36H60N8O17S	908.3797	NA	PeJP	NA	NA
+PJ075761	GTTLEEEM 	C36H60N8O17S	908.3798	NA	PeJP	NA	NA
+PJ075762	GPTLEMMM 	C37H64N8O12S3	908.3806	NA	PeJP	NA	NA
+PJ075763	SSNEMRW 	C37H56N12O13S	908.3811	NA	PeJP	NA	NA
+PJ075764	GSSTWWW 	C45H52N10O11	908.3817	NA	PeJP	NA	NA
+PJ075765	GGGAEFWW 	C45H52N10O11	908.3818	NA	PeJP	NA	NA
+PJ075766	GMMMHFR 	C38H60N12O8S3	908.382	NA	PeJP	NA	NA
+PJ075767	GCNHHRW 	C38H52N16O9S	908.3824	NA	PeJP	NA	NA
+PJ075768	SSSSQEER 	C33H56N12O18	908.3836	NA	PeJP	NA	NA
+PJ075769	SQQEMMR 	C34H60N12O13S2	908.3844	NA	PeJP	NA	NA
+PJ075770	TNQEMMR 	C34H60N12O13S2	908.3845	NA	PeJP	NA	NA
+PJ075771	GSSNDHHR 	C34H52N16O14	908.3849	NA	PeJP	NA	NA
+PJ075772	GSDKMWW 	C42H56N10O11S	908.3851	NA	PeJP	NA	NA
+PJ075773	GSSSKEEW 	C38H56N10O16	908.3876	NA	PeJP	NA	NA
+C11626	Vinblastine sulfate	C46H58N4O9	908.3878	NA	KEGG	NA	NA
+PJ075774	GQKEMMW 	C39H60N10O11S2	908.3885	NA	PeJP	NA	NA
+PJ075775	SSQQHHW 	C39H52N14O12	908.3889	NA	PeJP	NA	NA
+PJ075776	GGSTQHHW 	C39H52N14O12	908.389	NA	PeJP	NA	NA
+PJ075777	CKFYYW 	C47H56N8O9S	908.3891	NA	PeJP	NA	NA
+PJ075778	CCRRWW 	C40H56N14O7S2	908.3898	NA	PeJP	NA	NA
+PJ075779	GSTQKEEM 	C35H60N10O16S	908.391	NA	PeJP	NA	NA
+PJ075780	SPVEEYW 	C43H56N8O14	908.3916	NA	PeJP	NA	NA
+PJ075781	ASPNKMMM 	C36H64N10O11S3	908.3918	NA	PeJP	NA	NA
+PJ075782	GSPQKMMM 	C36H64N10O11S3	908.3919	NA	PeJP	NA	NA
+PJ075783	SSCDRRW 	C36H56N14O12S	908.3923	NA	PeJP	NA	NA
+PJ075784	GGGGGGGGMFR 	C36H56N14O12S	908.3924	NA	PeJP	NA	NA
+PJ075785	PPCLMYW 	C44H60N8O9S2	908.3925	NA	PeJP	NA	NA
+PJ075786	GPEHHFW 	C44H52N12O10	908.393	NA	PeJP	NA	NA
+PJ075787	SSSSDDRR 	C32H56N14O17	908.3948	NA	PeJP	NA	NA
+PJ075788	TTLEEMW 	C40H60N8O14S	908.395	NA	PeJP	NA	NA
+PJ075789	SNDMMRR 	C33H60N14O12S2	908.3957	NA	PeJP	NA	NA
+PJ075790	PTLMMMW 	C41H64N8O9S3	908.3959	NA	PeJP	NA	NA
+PJ075791	GSSMRWW 	C41H56N12O10S	908.3963	NA	PeJP	NA	NA
+PJ075792	GGAPCRYW 	C41H56N12O10S	908.3964	NA	PeJP	NA	NA
+PJ075793	GQFWWW 	C49H52N10O8	908.397	NA	PeJP	NA	NA
+PJ075794	STTTLEEE 	C36H60N8O19	908.3975	NA	PeJP	NA	NA
+PJ075795	LKEEEMM 	C37H64N8O14S2	908.3984	NA	PeJP	NA	NA
+PJ075796	GSSSTERW 	C37H56N12O15	908.3988	NA	PeJP	NA	NA
+PJ075797	GGGGSSSSKW 	C37H56N12O15	908.3989	NA	PeJP	NA	NA
+PJ075798	GPVLMMMM 	C38H68N8O9S4	908.3993	NA	PeJP	NA	NA
+PJ075799	GTQMMRW 	C38H60N12O10S2	908.3997	NA	PeJP	NA	NA
+PJ075800	VNEHHHH 	C38H52N16O11	908.4002	NA	PeJP	NA	NA
+PJ075801	TCKWWW 	C46H56N10O8S	908.4004	NA	PeJP	NA	NA
+PJ075802	GSSDKEMR 	C34H60N12O15S	908.4022	NA	PeJP	NA	NA
+PJ075803	SSSKEWW 	C42H56N10O13	908.4029	NA	PeJP	NA	NA
+PJ075804	VNQMMMR 	C35H64N12O10S3	908.4031	NA	PeJP	NA	NA
+PJ075805	SNQMHHR 	C35H56N16O11S	908.4035	NA	PeJP	NA	NA
+PJ075806	GGSQMHHR 	C35H56N16O11S	908.4036	NA	PeJP	NA	NA
+PJ075807	QKMMWW 	C43H60N10O8S2	908.4037	NA	PeJP	NA	NA
+PJ075808	GQHHHFF 	C43H52N14O9	908.4042	NA	PeJP	NA	NA
+PJ075809	STQKEMW 	C39H60N10O13S	908.4062	NA	PeJP	NA	NA
+PJ075810	GGGAPKEMY 	C39H60N10O13S	908.4063	NA	PeJP	NA	NA
+PJ075811	LEEFWW 	C47H56N8O11	908.4069	NA	PeJP	NA	NA
+PJ075812	PPMMMFR 	C40H64N10O8S3	908.4071	NA	PeJP	NA	NA
+PJ075813	PPCNHRW 	C40H56N14O9S	908.4076	NA	PeJP	NA	NA
+PJ075814	PHHFWW 	C48H52N12O7	908.4082	NA	PeJP	NA	NA
+PJ075815	SSSDKKEE 	C35H60N10O18	908.4087	NA	PeJP	NA	NA
+PJ075816	TLEEMMR 	C36H64N10O13S2	908.4096	NA	PeJP	NA	NA
+PJ075817	GNDERRY 	C36H56N14O14	908.4101	NA	PeJP	NA	NA
+PJ075818	AAKMYYY 	C44H60N8O11S	908.4102	NA	PeJP	NA	NA
+PJ075819	APLEMYW 	C44H60N8O11S	908.4103	NA	PeJP	NA	NA
+PJ075820	PLMMMMR 	C37H68N10O8S4	908.4105	NA	PeJP	NA	NA
+PJ075821	ASCMRRW 	C37H60N14O9S2	908.4109	NA	PeJP	NA	NA
+PJ075822	GTCMRRW 	C37H60N14O9S2	908.411	NA	PeJP	NA	NA
+PJ075823	GEHHHHR 	C37H52N18O10	908.4114	NA	PeJP	NA	NA
+PJ075824	LMHHWW 	C45H56N12O7S	908.4116	NA	PeJP	NA	NA
+PJ075825	VLQEEEY 	C40H60N8O16	908.4128	NA	PeJP	NA	NA
+PJ075826	ASSSDMRR 	C33H60N14O14S	908.4134	NA	PeJP	NA	NA
+PJ075827	GSSSEMRR 	C33H60N14O14S	908.4135	NA	PeJP	NA	NA
+PJ075828	SLLEMMW 	C41H64N8O11S2	908.4136	NA	PeJP	NA	NA
+PJ075829	SSSTRWW 	C41H56N12O12	908.4141	NA	PeJP	NA	NA
+PJ075830	GQMMMRR 	C34H64N14O9S3	908.4143	NA	PeJP	NA	NA
+PJ075831	SCNHHRR 	C34H56N18O10S	908.4148	NA	PeJP	NA	NA
+PJ075832	CKMRWW 	C42H60N12O7S2	908.415	NA	PeJP	NA	NA
+PJ075833	GVHHHHW 	C42H52N16O8	908.4155	NA	PeJP	NA	NA
+PJ075834	SSTLLEEM 	C37H64N8O16S	908.4161	NA	PeJP	NA	NA
+PJ075835	AALLEMMM 	C38H68N8O11S3	908.417	NA	PeJP	NA	NA
+PJ075836	SSDKMRW 	C38H60N12O12S	908.4175	NA	PeJP	NA	NA
+MJ097448	Biphalin 	C46H56N10O10	908.418088	NA	MeJP	NA	NA
+PJ075837	VQQYWW 	C46H56N10O10	908.4181	NA	PeJP	NA	NA
+PJ075838	SSSSKEER 	C34H60N12O17	908.42	NA	PeJP	NA	NA
+PJ075839	SQKEMMR 	C35H64N12O12S2	908.4208	NA	PeJP	NA	NA
+PJ075840	GGTKEMMR 	C35H64N12O12S2	908.4209	NA	PeJP	NA	NA
+PJ075841	PNDDHRR 	C35H56N16O13	908.4213	NA	PeJP	NA	NA
+PJ075842	GTTKMWW 	C43H60N10O10S	908.4215	NA	PeJP	NA	NA
+PJ075843	GSTTTKEW 	C39H60N10O15	908.424	NA	PeJP	NA	NA
+PJ075844	GKKEMMW 	C40H64N10O10S2	908.4249	NA	PeJP	NA	NA
+PJ075845	NDRRYW 	C40H56N14O11	908.4253	NA	PeJP	NA	NA
+PJ075846	GGAPEHRW 	C40H56N14O11	908.4254	NA	PeJP	NA	NA
+PJ075847	PPCLFFW 	C48H60N8O8S	908.4255	NA	PeJP	NA	NA
+PJ075848	GCMMRRR 	C33H64N16O8S3	908.4256	NA	PeJP	NA	NA
+PJ075849	HHHHRW 	C41H52N18O7	908.4267	NA	PeJP	NA	NA
+PJ075850	GSTKKEEM 	C36H64N10O15S	908.4274	NA	PeJP	NA	NA
+PJ075851	GLLEEYW 	C44H60N8O13	908.428	NA	PeJP	NA	NA
+PJ075852	VLEMMMR 	C37H68N10O10S3	908.4282	NA	PeJP	NA	NA
+PJ075853	GGAALKMMM 	C37H68N10O10S3	908.4283	NA	PeJP	NA	NA
+PJ075854	SSSMRRW 	C37H60N14O11S	908.4287	NA	PeJP	NA	NA
+PJ075855	PVVMMFW 	C45H64N8O8S2	908.4289	NA	PeJP	NA	NA
+PJ075856	AQRYWW 	C45H56N12O9	908.4294	NA	PeJP	NA	NA
+PJ075857	SSSSTERR 	C33H60N14O16	908.4312	NA	PeJP	NA	NA
+PJ075858	PLKEEMY 	C41H64N8O13S	908.4314	NA	PeJP	NA	NA
+PJ075859	STQMMRR 	C34H64N14O11S2	908.4321	NA	PeJP	NA	NA
+PJ075860	VVLMMMW 	C42H68N8O8S3	908.4323	NA	PeJP	NA	NA
+PJ075861	GPCKRYW 	C42H60N12O9S	908.4327	NA	PeJP	NA	NA
+PJ075862	GKFWWW 	C50H56N10O7	908.4334	NA	PeJP	NA	NA
+PJ075863	ATTLLEMM 	C38H68N8O13S2	908.4348	NA	PeJP	NA	NA
+PJ075864	SSSSSLRW 	C38H60N12O14	908.4352	NA	PeJP	NA	NA
+PJ075865	GGGGGGKKEY 	C38H60N12O14	908.4353	NA	PeJP	NA	NA
+PJ075866	GTKMMRW 	C39H64N12O9S2	908.4361	NA	PeJP	NA	NA
+PJ075867	GQQHHFR 	C39H56N16O10	908.4366	NA	PeJP	NA	NA
+PJ075868	GSTTKEMR 	C35H64N12O14S	908.4386	NA	PeJP	NA	NA
+PJ075869	STTTKWW 	C43H60N10O12	908.4392	NA	PeJP	NA	NA
+PJ075870	GVQKEYW 	C43H60N10O12	908.4393	NA	PeJP	NA	NA
+PJ075871	VNKMMMR 	C36H68N12O9S3	908.4395	NA	PeJP	NA	NA
+PJ075872	SNKMHHR 	C36H60N16O10S	908.4399	NA	PeJP	NA	NA
+PJ075873	GCDFRRR 	C36H60N16O10S	908.44	NA	PeJP	NA	NA
+PJ075874	KKMMWW 	C44H64N10O7S2	908.4401	NA	PeJP	NA	NA
+MJ097449	Spirostane-2,3,5,6,24-pentol, 3-Benzoyl, 2,24-di-O-?-D-glucopyranoside 	C46H68O18	908.440565	NA	MeJP	NA	NA
+PJ075875	PQHRWW 	C44H56N14O8	908.4406	NA	PeJP	NA	NA
+MJ097450	Mycalolide A 	C47H64N4O14	908.441902	NA	MeJP	NA	NA
+PJ075876	STKKEMW 	C40H64N10O12S	908.4426	NA	PeJP	NA	NA
+PJ075877	LLEYWW 	C48H60N8O10	908.4433	NA	PeJP	NA	NA
+PJ075878	NMFRRW 	C41H60N14O8S	908.444	NA	PeJP	NA	NA
+PJ075879	SSTTKKEE 	C36H64N10O17	908.4451	NA	PeJP	NA	NA
+PJ075880	DKKKEMM 	C37H68N10O12S2	908.446	NA	PeJP	NA	NA
+PJ075881	GTQERRY 	C37H60N14O13	908.4465	NA	PeJP	NA	NA
+PJ075882	SPLLMYW 	C45H64N8O10S	908.4466	NA	PeJP	NA	NA
+PJ075883	CLLLDFW 	C45H64N8O10S	908.4467	NA	PeJP	NA	NA
+PJ075884	PCCKFRR 	C38H64N14O8S2	908.4473	NA	PeJP	NA	NA
+PJ075885	SVHHHHR 	C38H56N18O9	908.4478	NA	PeJP	NA	NA
+PJ075886	SSPTLLEY 	C41H64N8O15	908.4491	NA	PeJP	NA	NA
+PJ075887	VLKEEEY 	C41H64N8O15	908.4492	NA	PeJP	NA	NA
+PJ075888	GSTTTMRR 	C34H64N14O13S	908.4498	NA	PeJP	NA	NA
+PJ075889	AAPLLMMY 	C42H68N8O10S2	908.45	NA	PeJP	NA	NA
+PJ075890	QKERYW 	C42H60N12O11	908.4505	NA	PeJP	NA	NA
+PJ075891	GKMMMRR 	C35H68N14O8S3	908.4507	NA	PeJP	NA	NA
+PJ075892	TTTTLLEM 	C38H68N8O15S	908.4525	NA	PeJP	NA	NA
+PJ075893	GTLLLMMM 	C39H72N8O10S3	908.4534	NA	PeJP	NA	NA
+PJ075894	STTKMRW 	C39H64N12O11S	908.4538	NA	PeJP	NA	NA
+PJ075895	PTNKMRY 	C39H64N12O11S	908.4539	NA	PeJP	NA	NA
+PJ075896	VQKYWW 	C47H60N10O9	908.4545	NA	PeJP	NA	NA
+2676	NA	GGVYACRMGPITWVCSPLGG	908.4562	MH2+	Inhouse_peptide	NA	peptide
+PJ075897	TTTTTTQR 	C35H64N12O16	908.4563	NA	PeJP	NA	NA
+PJ075898	SSTTTKER 	C35H64N12O16	908.4564	NA	PeJP	NA	NA
+PJ075899	SKKEMMR 	C36H68N12O11S2	908.4572	NA	PeJP	NA	NA
+PJ075900	GSDRRRY 	C36H60N16O12	908.4577	NA	PeJP	NA	NA
+PJ075901	GPKKMYW 	C44H64N10O9S	908.4579	NA	PeJP	NA	NA
+PJ075902	SSSTTLKW 	C40H64N10O14	908.4604	NA	PeJP	NA	NA
+PJ075903	SVKKMMW 	C41H68N10O9S2	908.4612	NA	PeJP	NA	NA
+PJ075904	TCLKKMW 	C41H68N10O9S2	908.4613	NA	PeJP	NA	NA
+PJ075905	TQRRYW 	C41H60N14O10	908.4617	NA	PeJP	NA	NA
+PJ075906	SSSLKKEM 	C37H68N10O14S	908.4637	NA	PeJP	NA	NA
+PJ075907	ATTTKKEM 	C37H68N10O14S	908.4638	NA	PeJP	NA	NA
+PJ075908	SVLLEYW 	C45H64N8O12	908.4644	NA	PeJP	NA	NA
+PJ075909	LQKKMMM 	C38H72N10O9S3	908.4646	NA	PeJP	NA	NA
+PJ075910	GVQMRRY 	C38H64N14O10S	908.4651	NA	PeJP	NA	NA
+PJ075911	AKRYWW 	C46H60N12O8	908.4657	NA	PeJP	NA	NA
+PJ075912	GPVKHWW 	C46H60N12O8	908.4658	NA	PeJP	NA	NA
+PJ075913	SSTTTTRR 	C34H64N14O15	908.4676	NA	PeJP	NA	NA
+PJ075914	LLLQEMY 	C42H68N8O12S	908.4678	NA	PeJP	NA	NA
+PJ075915	STKMMRR 	C35H68N14O10S2	908.4685	NA	PeJP	NA	NA
+PJ075916	GQQQHRR 	C35H60N18O11	908.4689	NA	PeJP	NA	NA
+PJ075917	GGGAAQHRR 	C35H60N18O11	908.469	NA	PeJP	NA	NA
+PJ075918	AAKMFRW 	C43H64N12O8S	908.4691	NA	PeJP	NA	NA
+PJ075919	STTLLLMM 	C39H72N8O12S2	908.4711	NA	PeJP	NA	NA
+PJ075920	GKKEERY 	C39H64N12O13	908.4716	NA	PeJP	NA	NA
+PJ075921	GGGGGGGAPPLL 	C39H64N12O13	908.4717	NA	PeJP	NA	NA
+PJ075922	PCKKMFR 	C40H68N12O8S2	908.4725	NA	PeJP	NA	NA
+PJ075923	GPTHRRW 	C40H60N16O9	908.473	NA	PeJP	NA	NA
+PJ075924	SSSTLKMR 	C36H68N12O13S	908.475	NA	PeJP	NA	NA
+PJ075925	GVKKEYW 	C44H64N10O11	908.4756	NA	PeJP	NA	NA
+PJ075926	GPPPLDKW 	C44H64N10O11	908.4757	NA	PeJP	NA	NA
+PJ075927	CLKKMMR 	C37H72N12O8S3	908.4759	NA	PeJP	NA	NA
+PJ075928	QMRRRY 	C37H64N16O9S	908.4763	NA	PeJP	NA	NA
+MJ097451	3,19,20-Trihydroxy-11,13(18)-ursadien-28-oic acid, 28?20 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H72O17	908.47695	NA	MeJP	NA	NA
+PJ075929	PKHRWW 	C45H60N14O7	908.477	NA	PeJP	NA	NA
+PJ075930	VVLEMRY 	C41H68N10O11S	908.479	NA	PeJP	NA	NA
+PJ075931	APLLFYW 	C49H64N8O9	908.4797	NA	PeJP	NA	NA
+PJ075932	GNNHRRR 	C34H60N20O10	908.4802	NA	PeJP	NA	NA
+PJ075933	TTTTTKKE 	C37H68N10O16	908.4815	NA	PeJP	NA	NA
+PJ075934	GTTLKKMM 	C38H72N10O11S2	908.4824	NA	PeJP	NA	NA
+PJ075935	ASKERRY 	C38H64N14O12	908.4828	NA	PeJP	NA	NA
+PJ075936	GTKERRY 	C38H64N14O12	908.4829	NA	PeJP	NA	NA
+PJ075937	ALLLMYW 	C46H68N8O9S	908.483	NA	PeJP	NA	NA
+PJ075938	GTTLLLEY 	C42H68N8O14	908.4855	NA	PeJP	NA	NA
+PJ075939	AALLLMMF 	C43H72N8O9S2	908.4864	NA	PeJP	NA	NA
+MJ097452	Schistostatin 6 	C43H64N12O10	908.486836	NA	MeJP	NA	NA
+PJ075940	KKERYW 	C43H64N12O10	908.4869	NA	PeJP	NA	NA
+PJ075941	CRRRRY 	C36H64N18O8S	908.4876	NA	PeJP	NA	NA
+PJ075942	SPKKMRY 	C40H68N12O10S	908.4902	NA	PeJP	NA	NA
+PJ075943	GAALKMRY 	C40H68N12O10S	908.4903	NA	PeJP	NA	NA
+PJ075944	VKKYWW 	C48H64N10O8	908.4909	NA	PeJP	NA	NA
+PJ075945	TTTTTTKR 	C36H68N12O15	908.4927	NA	PeJP	NA	NA
+PJ075946	GSCKKKKM 	C37H72N12O10S2	908.4936	NA	PeJP	NA	NA
+PJ075947	GTTRRRY 	C37H64N16O11	908.4941	NA	PeJP	NA	NA
+PJ075948	GLKKMFW 	C45H68N10O8S	908.4943	NA	PeJP	NA	NA
+PJ075949	VDKKKEY 	C41H68N10O13	908.4968	NA	PeJP	NA	NA
+PJ075950	VLLMMFR 	C42H72N10O8S2	908.4976	NA	PeJP	NA	NA
+PJ075951	TKRRYW 	C42H64N14O9	908.4981	NA	PeJP	NA	NA
+PJ075952	STTTLKKM 	C38H72N10O13S	908.5001	NA	PeJP	NA	NA
+MJ097453	Aselacin A 	C46H68N8O11	908.500755	NA	MeJP	NA	NA
+PJ075953	TTLLLYW 	C46H68N8O11	908.5008	NA	PeJP	NA	NA
+PJ075954	LKKKMMM 	C39H76N10O8S3	908.501	NA	PeJP	NA	NA
+PJ075955	GVKMRRY 	C39H68N14O9S	908.5015	NA	PeJP	NA	NA
+PJ075956	LLLKEMY 	C43H72N8O11S	908.5042	NA	PeJP	NA	NA
+PJ075957	GVEHRRR 	C36H64N18O10	908.5053	NA	PeJP	NA	NA
+PJ075958	SVKKERY 	C40H68N12O12	908.508	NA	PeJP	NA	NA
+PJ075959	QFFRRR 	C41H64N16O8	908.5093	NA	PeJP	NA	NA
+PJ075960	AALHRRW 	C41H64N16O8	908.5094	NA	PeJP	NA	NA
+PJ075961	SSTCKKKK 	C37H72N12O12S	908.5114	NA	PeJP	NA	NA
+PJ075962	ATLKKYW 	C45H68N10O10	908.512	NA	PeJP	NA	NA
+PJ075963	KMRRRY 	C38H68N16O8S	908.5127	NA	PeJP	NA	NA
+MJ097454	Xestovanin A; 10,27-Didehydro, 4''-O-?-L-rhamnopyranoside 	C48H76O16	908.513336	NA	MeJP	NA	NA
+PJ075964	TLLLMRY 	C42H72N10O10S	908.5154	NA	PeJP	NA	NA
+PJ075965	ALLLFFW 	C50H68N8O8	908.516	NA	PeJP	NA	NA
+PJ075966	VVVLFFW 	C50H68N8O8	908.5161	NA	PeJP	NA	NA
+PJ075967	EHRRRR 	C35H64N20O9	908.5166	NA	PeJP	NA	NA
+MJ097455	Cephalostatin 5 	C54H72N2O10	908.518696	NA	MeJP	NA	NA
+PJ075968	SSLKRRY 	C39H68N14O11	908.5192	NA	PeJP	NA	NA
+PJ075969	AAPPLERR 	C39H68N14O11	908.5193	NA	PeJP	NA	NA
+PJ075970	VHRRRW 	C40H64N18O7	908.5206	NA	PeJP	NA	NA
+PJ075971	SSTLLLLY 	C43H72N8O13	908.5219	NA	PeJP	NA	NA
+PJ075972	PPLLQRW 	C44H68N12O9	908.5233	NA	PeJP	NA	NA
+PJ075973	ALKKMRY 	C41H72N12O9S	908.5266	NA	PeJP	NA	NA
+C11243	Bacterio-chlorophyll b	C55H72MgN4O6	908.5302	NA	KEGG	NA	NA
+C11244	Bacterio-chlorophyll c	C44H48MgN4O4R4	908.5302	NA	KEGG	NA	NA
+C18151	7-Hydroxychlorophyll a	C55H72MgN4O6	908.5302	NA	KEGG	NA	NA
+MetaCyc04289	7-hydroxy-chlorophyll a [7-OH-chlorophyll a;]	C55H72N4O6MG1	908.530228	NA	metacyc	NA	NA
+PJ075974	PPVERRR 	C38H68N16O10	908.5305	NA	PeJP	NA	NA
+PJ075975	TLKKKEY 	C42H72N10O12	908.5331	NA	PeJP	NA	NA
+PJ075976	GSTLLKKY 	C42H72N10O12	908.5332	NA	PeJP	NA	NA
+PJ075977	PPVVRRW 	C43H68N14O8	908.5345	NA	PeJP	NA	NA
+PJ075978	PLLLKYY 	C47H72N8O10	908.5372	NA	PeJP	NA	NA
+PJ075979	PLKKMHR 	C40H72N14O8S	908.5379	NA	PeJP	NA	NA
+PJ075980	ATLHRRR 	C37H68N18O9	908.5417	NA	PeJP	NA	NA
+PJ075981	TTLKKRY 	C41H72N12O11	908.5444	NA	PeJP	NA	NA
+PJ075982	KFFRRR 	C42H68N16O7	908.5457	NA	PeJP	NA	NA
+PJ075983	GPPVLLKW 	C46H72N10O9	908.5484	NA	PeJP	NA	NA
+PJ075984	VLKKKMY 	C43H76N10O9S	908.5518	NA	PeJP	NA	NA
+PJ075985	GPPTLLRR 	C40H72N14O10	908.5556	NA	PeJP	NA	NA
+PJ075986	ALKKFFR 	C45H72N12O8	908.5596	NA	PeJP	NA	NA
+PJ075987	PPLLKRW 	C45H72N12O8	908.5597	NA	PeJP	NA	NA
+PJ075988	CKKKKKF 	C42H76N12O8S	908.563	NA	PeJP	NA	NA
+PJ075989	SLLKHRR 	C39H72N16O9	908.5669	NA	PeJP	NA	NA
+PJ075990	STLLLLLH 	C43H76N10O11	908.5695	NA	PeJP	NA	NA
+PJ075991	PPVVLKKE 	C43H76N10O11	908.5696	NA	PeJP	NA	NA
+PJ075992	LLLLKFY 	C48H76N8O9	908.5736	NA	PeJP	NA	NA
+PJ075993	PPLLLLLM 	C45H80N8O9S	908.5769	NA	PeJP	NA	NA
+PJ075994	GKKKHRR 	C38H72N18O8	908.5781	NA	PeJP	NA	NA
+PJ075995	SKKKKKY 	C42H76N12O10	908.5808	NA	PeJP	NA	NA
+PJ075996	VLKKKFF 	C47H76N10O8	908.5848	NA	PeJP	NA	NA
+PJ075997	AAPLLLRR 	C41H76N14O9	908.592	NA	PeJP	NA	NA
+PJ075998	PVLLLLLE 	C45H80N8O11	908.5947	NA	PeJP	NA	NA
+PJ075999	PVLLRRR 	C40H76N16O8	908.6033	NA	PeJP	NA	NA
+PJ076000	PPTLLLKK 	C44H80N10O10	908.6059	NA	PeJP	NA	NA
+MJ097456	Bassianolide 	C48H84N4O12	908.608574	NA	MeJP	NA	NA
+PJ076001	GPLLLLKR 	C43H80N12O9	908.6172	NA	PeJP	NA	NA
+PJ076002	LKKKKKH 	C42H80N14O8	908.6284	NA	PeJP	NA	NA
+PJ076003	PVVLLLKK 	C45H84N10O9	908.6423	NA	PeJP	NA	NA
+PJ076004	VLLLLLLL 	C47H88N8O9	908.6675	NA	PeJP	NA	NA
+HMDB05387	TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.78326	http://www.hmdb.ca/metabolites/HMDB05387	HMDB	NA	NA
+HMDB05406	TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.78326	http://www.hmdb.ca/metabolites/HMDB05406	HMDB	NA	NA
+HMDB05429	TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.78326	http://www.hmdb.ca/metabolites/HMDB05429	HMDB	NA	NA
+HMDB05473	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3]	C59H104O6	908.78326	http://www.hmdb.ca/metabolites/HMDB05473	HMDB	NA	NA
+HMDB05387	TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.78326	HMDB05387	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05406	TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.78326	HMDB05406	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05429	TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.78326	HMDB05429	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05473	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3]	C59H104O6	908.78326	HMDB05473	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05387	TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+HMDB05406	TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+HMDB05429	TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+HMDB05473	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))[iso3]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+HMDB10462	TG(18:1(9Z)/18:1(9Z)/20:3(5Z,8Z,11Z))[iso3]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+HMDB10463	TG(18:1(9Z)/18:1(9Z)/20:3(8Z,11Z,14Z))[iso3]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+HMDB10484	TG(18:2(9Z,12Z)/18:1(9Z)/20:2(11Z,14Z))[iso6]	C59H104O6	908.783264	NA	HMDB2010	NA	NA
+C02232	3-Oxoadipyl-CoA	C27H42N7O20P3S	909.1418	NA	KEGG	NA	NA
+MJ097457	3-Oxoadipyl-CoA 	C27H42N7O20P3S	909.141817	NA	MeJP	NA	NA
+MetaCyc04290	&beta;-ketoadipyl-CoA [&beta;-ketoadipyl-CoA;3-ketoadipyl-CoA;3-keto-adipyl-coa;3-oxoadipyl-CoA;]	C27H42N7O20P3S1	909.141817	NA	metacyc	NA	NA
+PJ076005	GSCCCCCCE 	C28H47N9O13S6	909.1618	NA	PeJP	NA	NA
+PJ076006	SCCCCCCW 	C32H47N9O10S6	909.1771	NA	PeJP	NA	NA
+C01063	6-Carboxyhexanoyl-CoA	C28H46N7O19P3S	909.1782	NA	KEGG	NA	NA
+C01064	CMP-N-acylneuraminate	C19H28N4O16PR	909.1782	NA	KEGG	NA	NA
+C01065	Coagulation Factor Xa	C19H28N4O16PR	909.1782	NA	KEGG	NA	NA
+C09824	2,6-Dihydroxycyclohexane-1-carboxyl-CoA	C28H46N7O19P3S	909.1782	NA	KEGG	NA	NA
+MJ097458	6-Carboxyhexanoyl-CoA 	C28H46N7O19P3S	909.178202	NA	MeJP	NA	NA
+MetaCyc04291	pimelyl-CoA [6-carboxyhexanoyl-CoA;pimeloyl-CoA;]	C28H46N7O19P3S1	909.178203	NA	metacyc	NA	NA
+PJ076007	SSSCCCCCD 	C28H47N9O15S5	909.1796	NA	PeJP	NA	NA
+PJ076008	CCCCCNMM 	C29H51N9O10S7	909.1804	NA	PeJP	NA	NA
+PJ076009	CCCCCNDF 	C32H47N9O12S5	909.1948	NA	PeJP	NA	NA
+PJ076010	GSTCCCCCM 	C29H51N9O12S6	909.1982	NA	PeJP	NA	NA
+MJ097459	Platonin; Iodide 	C38H61I2N3S3	909.211697	NA	MeJP	NA	NA
+PJ076011	SCCCCNDY 	C32H47N9O14S4	909.2126	NA	PeJP	NA	NA
+C05266	(S)-Hydroxyoctanoyl-CoA	C29H50N7O18P3S	909.2146	NA	KEGG	NA	NA
+HMDB03940	(S)-Hydroxyoctanoyl-CoA	C29H50N7O18P3S	909.2146	NA	HMDB2010	NA	NA
+PJ076012	SSSSCCCCM 	C29H51N9O14S5	909.2159	NA	PeJP	NA	NA
+PJ076013	GCCCCQMY 	C33H51N9O11S5	909.2312	NA	PeJP	NA	NA
+PJ076014	CCCCNNNH 	C30H47N13O12S4	909.235	NA	PeJP	NA	NA
+PJ076015	GGGGCCCCNH 	C30H47N13O12S4	909.2351	NA	PeJP	NA	NA
+PJ076016	SCCCNDEH 	C31H47N11O15S3	909.2416	NA	PeJP	NA	NA
+PJ076017	GCCCCCRY 	C32H51N11O10S5	909.2424	NA	PeJP	NA	NA
+PJ076018	SNDDDDDD 	C31H43N9O23	909.2472	NA	PeJP	NA	NA
+PJ076019	PCCNDDDE 	C32H47N9O18S2	909.2481	NA	PeJP	NA	NA
+PJ076020	SSCCCNMY 	C33H51N9O13S4	909.2489	NA	PeJP	NA	NA
+PJ076021	GGSSCCCMY 	C33H51N9O13S4	909.249	NA	PeJP	NA	NA
+PJ076022	CCDDEYY 	C37H47N7O16S2	909.2521	NA	PeJP	NA	NA
+PJ076023	CCEMMMY 	C35H55N7O11S5	909.2563	NA	PeJP	NA	NA
+PJ076024	GSCCCDHW 	C35H47N11O12S3	909.2568	NA	PeJP	NA	NA
+PJ076025	GSSSCCDDH 	C31H47N11O17S2	909.2593	NA	PeJP	NA	NA
+PJ076026	GCCNDMMH 	C32H51N11O12S4	909.2602	NA	PeJP	NA	NA
+PJ076027	GPCCDDDW 	C36H47N9O15S2	909.2634	NA	PeJP	NA	NA
+PJ076028	GCCCCQFF 	C37H51N9O10S4	909.2642	NA	PeJP	NA	NA
+PJ076029	ACDDDDQE 	C32H47N9O20S	909.2658	NA	PeJP	NA	NA
+PJ076030	GNDDDDEM 	C32H47N9O20S	909.2659	NA	PeJP	NA	NA
+PJ076031	GSSSTCCCY 	C33H51N9O15S3	909.2667	NA	PeJP	NA	NA
+PJ076032	GCCCCKMY 	C34H55N9O10S5	909.2676	NA	PeJP	NA	NA
+PJ076033	CCNNNNND 	C30H47N13O16S2	909.2705	NA	PeJP	NA	NA
+PJ076034	GGCCNNNND 	C30H47N13O16S2	909.2706	NA	PeJP	NA	NA
+PJ076035	CCDEMFY 	C38H51N7O13S3	909.2707	NA	PeJP	NA	NA
+PJ076036	GCCCCEHR 	C31H51N13O11S4	909.2714	NA	PeJP	NA	NA
+PJ076037	GCCNDDHF 	C35H47N11O14S2	909.2746	NA	PeJP	NA	NA
+PJ076038	CCCQMHW 	C36H51N11O9S4	909.2754	NA	PeJP	NA	NA
+PJ076039	GACCCMHW 	C36H51N11O9S4	909.2755	NA	PeJP	NA	NA
+PJ076040	GCDDDDDR 	C31H47N11O19S	909.2771	NA	PeJP	NA	NA
+PJ076041	SSCCNEMH 	C32H51N11O14S3	909.2779	NA	PeJP	NA	NA
+PJ076042	GGSSCCEMH 	C32H51N11O14S3	909.278	NA	PeJP	NA	NA
+PJ076043	GCCCNHHH 	C33H47N15O10S3	909.2793	NA	PeJP	NA	NA
+PJ076044	NDDDDMW 	C36H47N9O17S	909.2811	NA	PeJP	NA	NA
+PJ076045	SPPCCCDW 	C37H51N9O12S3	909.282	NA	PeJP	NA	NA
+PJ076046	SSNDDDEE 	C32H47N9O22	909.2836	NA	PeJP	NA	NA
+PJ076047	SSSSSSCCY 	C33H51N9O17S2	909.2844	NA	PeJP	NA	NA
+PJ076048	SPCNDDEM 	C33H51N9O17S2	909.2845	NA	PeJP	NA	NA
+PJ076049	STCCCCKY 	C34H55N9O12S4	909.2853	NA	PeJP	NA	NA
+PJ076050	GGPPCCDMM 	C34H55N9O12S4	909.2854	NA	PeJP	NA	NA
+PJ076051	CCCCHRW 	C35H51N13O8S4	909.2867	NA	PeJP	NA	NA
+PJ076052	SCDEMYY 	C38H51N7O15S2	909.2885	NA	PeJP	NA	NA
+PJ076053	SSCCCDHR 	C31H51N13O13S3	909.2892	NA	PeJP	NA	NA
+PJ076054	PCCMMYY 	C39H55N7O10S4	909.2894	NA	PeJP	NA	NA
+PJ076055	DEEEEEM 	C34H51N7O20S	909.291	NA	PeJP	NA	NA
+PJ076056	GSCNNDDW 	C35H47N11O16S	909.2923	NA	PeJP	NA	NA
+PJ076057	GGGGGSCDDW 	C35H47N11O16S	909.2924	NA	PeJP	NA	NA
+PJ076058	TCMMMMY 	C36H59N7O10S5	909.2927	NA	PeJP	NA	NA
+PJ076059	GSSCCMHW 	C36H51N11O11S3	909.2932	NA	PeJP	NA	NA
+PJ076060	GSSSNNDDD 	C31H47N11O21	909.2948	NA	PeJP	NA	NA
+PJ076061	GGGGGSSSDDD 	C31H47N11O21	909.2949	NA	PeJP	NA	NA
+PJ076062	SPCCDDDR 	C32H51N11O16S2	909.2957	NA	PeJP	NA	NA
+PJ076063	GCDDEWW 	C40H47N9O14S	909.2964	NA	PeJP	NA	NA
+PJ076064	PPCCCCER 	C33H55N11O11S4	909.2966	NA	PeJP	NA	NA
+PJ076065	GSSDDDEW 	C36H47N9O19	909.2989	NA	PeJP	NA	NA
+PJ076066	GSPCDDMW 	C37H51N9O14S2	909.2997	NA	PeJP	NA	NA
+PJ076067	APPCCCMW 	C38H55N9O9S4	909.3006	NA	PeJP	NA	NA
+PJ076068	GSNDEEEM 	C33H51N9O19S	909.3022	NA	PeJP	NA	NA
+PJ076069	GDDDYYY 	C41H47N7O17	909.3029	NA	PeJP	NA	NA
+PJ076070	GPNDDMMM 	C34H55N9O14S3	909.3031	NA	PeJP	NA	NA
+PJ076071	PCCDFYY 	C42H51N7O12S2	909.3037	NA	PeJP	NA	NA
+PJ076072	CCDEFFF 	C42H51N7O12S2	909.3038	NA	PeJP	NA	NA
+PJ076073	CDMMHHH 	C35H51N13O10S3	909.3044	NA	PeJP	NA	NA
+PJ076074	GGPPCCCHH 	C35H51N13O10S3	909.3045	NA	PeJP	NA	NA
+PJ076075	GCCNNDER 	C31H51N13O15S2	909.3069	NA	PeJP	NA	NA
+PJ076076	GGGCCNDER 	C31H51N13O15S2	909.307	NA	PeJP	NA	NA
+PJ076077	GDMMMYY 	C39H55N7O12S3	909.3071	NA	PeJP	NA	NA
+PJ076078	GTCCCMHR 	C32H55N13O10S4	909.3078	NA	PeJP	NA	NA
+PJ076079	GNNNDDDF 	C35H47N11O18	909.3101	NA	PeJP	NA	NA
+PJ076080	SSSTCCHW 	C36H51N11O13S2	909.311	NA	PeJP	NA	NA
+PJ076081	CDDWWW 	C44H47N9O11S	909.3116	NA	PeJP	NA	NA
+PJ076082	CCCKMHW 	C37H55N11O8S4	909.3118	NA	PeJP	NA	NA
+PJ076083	SSSSSSCEH 	C32H51N11O18S	909.3134	NA	PeJP	NA	NA
+PJ076084	GSDDDDMR 	C32H51N11O18S	909.3135	NA	PeJP	NA	NA
+PJ076085	SSDDDWW 	C40H47N9O16	909.3141	NA	PeJP	NA	NA
+PJ076086	GPCCDEMR 	C33H55N11O13S3	909.3143	NA	PeJP	NA	NA
+PJ076087	GGGGGGSPCMM 	C33H55N11O13S3	909.3144	NA	PeJP	NA	NA
+PJ076088	GCNNNDHH 	C33H47N15O14S	909.3148	NA	PeJP	NA	NA
+PJ076089	SPCCEWW 	C41H51N9O11S2	909.315	NA	PeJP	NA	NA
+PJ076090	SNDEEMW 	C37H51N9O16S	909.3175	NA	PeJP	NA	NA
+PJ076091	PCNEMMW 	C38H55N9O11S3	909.3183	NA	PeJP	NA	NA
+PJ076092	GGPCEMMW 	C38H55N9O11S3	909.3184	NA	PeJP	NA	NA
+PJ076093	CDDHHHF 	C38H47N13O12S	909.3188	NA	PeJP	NA	NA
+PJ076094	SSSNEEEE 	C33H51N9O21	909.32	NA	PeJP	NA	NA
+PJ076095	NQEEEMM 	C34H55N9O16S2	909.3208	NA	PeJP	NA	NA
+PJ076096	GGQEEEMM 	C34H55N9O16S2	909.3209	NA	PeJP	NA	NA
+PJ076097	GSNDDEHH 	C34H47N13O17	909.3213	NA	PeJP	NA	NA
+PJ076098	SPCDYYY 	C42H51N7O14S	909.3215	NA	PeJP	NA	NA
+PJ076099	TEMMMMH 	C35H59N9O11S4	909.3217	NA	PeJP	NA	NA
+PJ076100	CCNNDRW 	C35H51N13O12S2	909.3222	NA	PeJP	NA	NA
+PJ076101	PCCMFFY 	C43H55N7O9S3	909.3224	NA	PeJP	NA	NA
+PJ076102	CCHHHHH 	C36H47N17O8S2	909.3235	NA	PeJP	NA	NA
+PJ076103	PDEEEEY 	C38H51N7O19	909.324	NA	PeJP	NA	NA
+PJ076104	SSCNNDDR 	C31H51N13O17S	909.3247	NA	PeJP	NA	NA
+PJ076105	SSEMMYY 	C39H55N7O14S2	909.3249	NA	PeJP	NA	NA
+PJ076106	SSSCCMHR 	C32H55N13O12S3	909.3256	NA	PeJP	NA	NA
+PJ076107	GMMMMFY 	C40H59N7O9S4	909.3257	NA	PeJP	NA	NA
+PJ076108	GCNNMWW 	C40H51N11O10S2	909.3262	NA	PeJP	NA	NA
+PJ076109	SCDDERW 	C36H51N11O15S	909.3287	NA	PeJP	NA	NA
+PJ076110	PCCDMRW 	C37H55N11O10S3	909.3296	NA	PeJP	NA	NA
+PJ076111	SSSDDDER 	C32H51N11O20	909.3312	NA	PeJP	NA	NA
+PJ076112	NDDEMMR 	C33H55N11O15S2	909.3321	NA	PeJP	NA	NA
+PJ076113	GSDEMWW 	C41H51N9O13S	909.3327	NA	PeJP	NA	NA
+PJ076114	GGPCDEFW 	C41H51N9O13S	909.3328	NA	PeJP	NA	NA
+PJ076115	PPTCCCMR 	C34H59N11O10S4	909.333	NA	PeJP	NA	NA
+PJ076116	GPCMMWW 	C42H55N9O8S3	909.3336	NA	PeJP	NA	NA
+PJ076117	GSSSEEEW 	C37H51N9O18	909.3352	NA	PeJP	NA	NA
+PJ076118	GGGSPDEEY 	C37H51N9O18	909.3353	NA	PeJP	NA	NA
+PJ076119	GQEEMMW 	C38H55N9O13S2	909.3361	NA	PeJP	NA	NA
+PJ076120	SNDDHHW 	C38H47N13O14	909.3366	NA	PeJP	NA	NA
+PJ076121	CEFYYW 	C46H51N7O11S	909.3368	NA	PeJP	NA	NA
+PJ076122	PCCQHHW 	C39H51N13O9S2	909.3375	NA	PeJP	NA	NA
+PJ076123	GSTQEEEM 	C34H55N9O18S	909.3386	NA	PeJP	NA	NA
+PJ076124	ASDEYYY 	C42H51N7O16	909.3392	NA	PeJP	NA	NA
+PJ076125	GSEEYYY 	C42H51N7O16	909.3393	NA	PeJP	NA	NA
+PJ076126	GSPQEMMM 	C35H59N9O13S3	909.3395	NA	PeJP	NA	NA
+PJ076127	GCNNNNQF 	C35H51N13O14S	909.3399	NA	PeJP	NA	NA
+PJ076128	GGGCNNNQF 	C35H51N13O14S	909.34	NA	PeJP	NA	NA
+PJ076129	APCMYYY 	C43H55N7O11S2	909.3401	NA	PeJP	NA	NA
+PJ076130	VMMMMMH 	C36H63N9O8S5	909.3404	NA	PeJP	NA	NA
+PJ076131	CCNMHFR 	C36H55N13O9S3	909.3408	NA	PeJP	NA	NA
+PJ076132	SSSSSNNNN 	C31H51N13O19	909.3424	NA	PeJP	NA	NA
+PJ076133	GGGGSSSSSNN 	C31H51N13O19	909.3425	NA	PeJP	NA	NA
+PJ076134	PEEEEMF 	C39H55N7O16S	909.3426	NA	PeJP	NA	NA
+PJ076135	CDDDMRR 	C32H55N13O14S2	909.3433	NA	PeJP	NA	NA
+PJ076136	GGGGGGGGTCCK 	C32H55N13O14S2	909.3434	NA	PeJP	NA	NA
+PJ076137	ATMMMYY 	C40H59N7O11S3	909.3435	NA	PeJP	NA	NA
+PJ076138	SSCNQWW 	C40H51N11O12S	909.344	NA	PeJP	NA	NA
+PJ076139	LEEEEMM 	C36H59N7O16S2	909.346	NA	PeJP	NA	NA
+PJ076140	SSSSNNEW 	C36H51N11O17	909.3465	NA	PeJP	NA	NA
+PJ076141	GCEEMRW 	C37H55N11O12S2	909.3473	NA	PeJP	NA	NA
+PJ076142	GDDMMRW 	C37H55N11O12S2	909.3474	NA	PeJP	NA	NA
+PJ076143	SDMWWW 	C45H51N9O10S	909.348	NA	PeJP	NA	NA
+PJ076144	SSVCDDER 	C33H55N11O17S	909.3498	NA	PeJP	NA	NA
+PJ076145	GSSDEEMR 	C33H55N11O17S	909.3499	NA	PeJP	NA	NA
+PJ076146	SSSEEWW 	C41H51N9O15	909.3505	NA	PeJP	NA	NA
+PJ076147	GSPCEMMR 	C34H59N11O12S3	909.3507	NA	PeJP	NA	NA
+PJ076148	CNDEHHR 	C34H51N15O13S	909.3512	NA	PeJP	NA	NA
+PJ076149	QEMMWW 	C42H55N9O10S2	909.3514	NA	PeJP	NA	NA
+PJ076150	STQEEMW 	C38H55N9O15S	909.3539	NA	PeJP	NA	NA
+PJ076151	SEYYYW 	C46H51N7O13	909.3545	NA	PeJP	NA	NA
+PJ076152	GSCCNDRR 	C31H55N15O13S2	909.3546	NA	PeJP	NA	NA
+PJ076153	SPQMMMW 	C39H59N9O10S3	909.3547	NA	PeJP	NA	NA
+PJ076154	GGAPPCMMF 	C39H59N9O10S3	909.3548	NA	PeJP	NA	NA
+PJ076155	GNEMHHW 	C39H51N13O11S	909.3552	NA	PeJP	NA	NA
+PJ076156	PCCFFFF 	C47H55N7O8S2	909.3554	NA	PeJP	NA	NA
+PJ076157	SSSDKEEE 	C34H55N9O20	909.3564	NA	PeJP	NA	NA
+PJ076158	NKEEEMM 	C35H59N9O15S2	909.3572	NA	PeJP	NA	NA
+PJ076159	GGKEEEMM 	C35H59N9O15S2	909.3573	NA	PeJP	NA	NA
+PJ076160	NNNDDRY 	C35H51N13O16	909.3577	NA	PeJP	NA	NA
+PJ076161	AAEMYYY 	C43H55N7O13S	909.3579	NA	PeJP	NA	NA
+PJ076162	AAPQMMMM 	C36H63N9O10S4	909.3581	NA	PeJP	NA	NA
+PJ076163	SCNNMRW 	C36H55N13O11S2	909.3586	NA	PeJP	NA	NA
+PJ076164	GMMMFFF 	C44H59N7O8S3	909.3588	NA	PeJP	NA	NA
+PJ076165	NNDHHHH 	C36H47N17O12	909.3591	NA	PeJP	NA	NA
+PJ076166	GCNHFFW 	C44H51N11O9S	909.3592	NA	PeJP	NA	NA
+PJ076167	VEEEEEF 	C39H55N7O18	909.3604	NA	PeJP	NA	NA
+PJ076168	SSSNNDMR 	C32H55N13O16S	909.3611	NA	PeJP	NA	NA
+PJ076169	TTTMMYY 	C40H59N7O13S2	909.3612	NA	PeJP	NA	NA
+PJ076170	GSSSSNWW 	C40H51N11O14	909.3617	NA	PeJP	NA	NA
+PJ076171	GGGGGGAEYW 	C40H51N11O14	909.3618	NA	PeJP	NA	NA
+PJ076172	NNNMMMR 	C33H59N13O11S3	909.3619	NA	PeJP	NA	NA
+PJ076173	GGNNMMMR 	C33H59N13O11S3	909.362	NA	PeJP	NA	NA
+PJ076174	CEMRWW 	C41H55N11O9S2	909.3626	NA	PeJP	NA	NA
+PJ076175	SSDEMRW 	C37H55N11O14S	909.3651	NA	PeJP	NA	NA
+PJ076176	GSPDYWW 	C45H51N9O12	909.3658	NA	PeJP	NA	NA
+PJ076177	SPCMMRW 	C38H59N11O9S3	909.366	NA	PeJP	NA	NA
+PJ076178	GCDHHRW 	C38H51N15O10S	909.3665	NA	PeJP	NA	NA
+PJ076179	AMMWWW 	C46H55N9O7S2	909.3666	NA	PeJP	NA	NA
+PJ076180	SSSSEEER 	C33H55N11O19	909.3676	NA	PeJP	NA	NA
+PJ076181	SQEEMMR 	C34H59N11O14S2	909.3685	NA	PeJP	NA	NA
+PJ076182	SSSNNQHH 	C34H51N15O15	909.3689	NA	PeJP	NA	NA
+PJ076183	GSSDDHHR 	C34H51N15O15	909.369	NA	PeJP	NA	NA
+PJ076184	GTTEMWW 	C42H55N9O12S	909.3691	NA	PeJP	NA	NA
+PJ076185	PNMMMMR 	C35H63N11O9S4	909.3693	NA	PeJP	NA	NA
+PJ076186	GGPMMMMR 	C35H63N11O9S4	909.3694	NA	PeJP	NA	NA
+PJ076187	GPTCCHHR 	C35H55N15O10S2	909.3698	NA	PeJP	NA	NA
+PJ076188	NMHHWW 	C43H51N13O8S	909.3705	NA	PeJP	NA	NA
+PJ076189	GSTTTEEW 	C38H55N9O17	909.3716	NA	PeJP	NA	NA
+PJ076190	GKEEMMW 	C39H59N9O12S2	909.3725	NA	PeJP	NA	NA
+PJ076191	SSQEHHW 	C39H51N13O13	909.373	NA	PeJP	NA	NA
+PJ076192	CLYYYW 	C47H55N7O10S	909.3731	NA	PeJP	NA	NA
+PJ076193	CCNQMRR 	C32H59N15O10S3	909.3732	NA	PeJP	NA	NA
+PJ076194	PCCKHHW 	C40H55N13O8S2	909.3738	NA	PeJP	NA	NA
+PJ076195	GSTKEEEM 	C35H59N9O17S	909.375	NA	PeJP	NA	NA
+PJ076196	ATTEYYY 	C43H55N7O15	909.3756	NA	PeJP	NA	NA
+PJ076197	PPEEEFY 	C43H55N7O15	909.3757	NA	PeJP	NA	NA
+PJ076198	GSPKEMMM 	C36H63N9O12S3	909.3759	NA	PeJP	NA	NA
+PJ076199	GSSSCQRW 	C36H55N13O13S	909.3763	NA	PeJP	NA	NA
+PJ076200	GGGGGSPCRY 	C36H55N13O13S	909.3764	NA	PeJP	NA	NA
+PJ076201	GVMMFYY 	C44H59N7O10S2	909.3765	NA	PeJP	NA	NA
+PJ076202	NNQYWW 	C44H51N11O11	909.377	NA	PeJP	NA	NA
+MJ097460	Altromycin A; 13-Deoxy, N3'-Me 	C47H59NO17	909.378299	NA	MeJP	NA	NA
+MJ097461	Altromycin A; 2'''-Deoxy, N3'-Me 	C47H59NO17	909.378299	NA	MeJP	NA	NA
+MJ097462	Taxol?; N-Debenzoyl, N-butanoyl, 10-de-Ac, 7-O-?-D-xylopyranoside 	C47H59NO17	909.378299	NA	MeJP	NA	NA
+PJ076203	GSSSSSNER 	C32H55N13O18	909.3788	NA	PeJP	NA	NA
+PJ076204	PLEEEMY 	C40H59N7O15S	909.379	NA	PeJP	NA	NA
+PJ076205	SDDMMRR 	C33H59N13O13S2	909.3797	NA	PeJP	NA	NA
+PJ076206	SSCNKWW 	C41H55N11O11S	909.3804	NA	PeJP	NA	NA
+PJ076207	GEFWWW 	C49H51N9O9	909.381	NA	PeJP	NA	NA
+PJ076208	SSSSTQQW 	C37H55N11O16	909.3828	NA	PeJP	NA	NA
+PJ076209	SSSSNDKW 	C37H55N11O16	909.3829	NA	PeJP	NA	NA
+PJ076210	GTEMMRW 	C38H59N11O11S2	909.3837	NA	PeJP	NA	NA
+PJ076211	GGGGGPCKMF 	C38H59N11O11S2	909.3838	NA	PeJP	NA	NA
+PJ076212	NNNQHHF 	C38H51N15O12	909.3842	NA	PeJP	NA	NA
+PJ076213	TTMWWW 	C46H55N9O9S	909.3844	NA	PeJP	NA	NA
+PJ076214	GSTTEEMR 	C34H59N11O16S	909.3862	NA	PeJP	NA	NA
+PJ076215	STTTEWW 	C42H55N9O14	909.3869	NA	PeJP	NA	NA
+PJ076216	VNEMMMR 	C35H63N11O11S3	909.3871	NA	PeJP	NA	NA
+PJ076217	SNEMHHR 	C35H55N15O12S	909.3876	NA	PeJP	NA	NA
+PJ076218	ATCLMWW 	C43H59N9O9S2	909.3877	NA	PeJP	NA	NA
+PJ076219	KEMMWW 	C43H59N9O9S2	909.3878	NA	PeJP	NA	NA
+PJ076220	GSTHHWW 	C43H51N13O10	909.3882	NA	PeJP	NA	NA
+PJ076221	SSPTTTMW 	C39H59N9O14S	909.3902	NA	PeJP	NA	NA
+PJ076222	STKEEMW 	C39H59N9O14S	909.3903	NA	PeJP	NA	NA
+PJ076223	AAPYYYY 	C47H55N7O12	909.3909	NA	PeJP	NA	NA
+PJ076224	GGGSSCMRR 	C32H59N15O12S2	909.391	NA	PeJP	NA	NA
+PJ076225	SPKMMMW 	C40H63N9O9S3	909.3911	NA	PeJP	NA	NA
+PJ076226	GCNQFRW 	C40H55N13O10S	909.3916	NA	PeJP	NA	NA
+PJ076227	STTTDKEE 	C35H59N9O19	909.3927	NA	PeJP	NA	NA
+PJ076228	SSTTKEEE 	C35H59N9O19	909.3928	NA	PeJP	NA	NA
+PJ076229	DKKEEMM 	C36H63N9O14S2	909.3936	NA	PeJP	NA	NA
+PJ076230	SSSSSNRW 	C36H55N13O15	909.3941	NA	PeJP	NA	NA
+PJ076231	GTLMYYY 	C44H59N7O12S	909.3943	NA	PeJP	NA	NA
+PJ076232	AAPKMMMM 	C37H67N9O9S4	909.3945	NA	PeJP	NA	NA
+PJ076233	SCCQKRW 	C37H59N13O10S2	909.395	NA	PeJP	NA	NA
+PJ076234	SQQHHHH 	C37H51N17O11	909.3954	NA	PeJP	NA	NA
+PJ076235	GGGATHHHH 	C37H51N17O11	909.3955	NA	PeJP	NA	NA
+PJ076236	PCRYWW 	C45H55N11O8S	909.3956	NA	PeJP	NA	NA
+PJ076237	FWWWW 	C53H51N9O6	909.3963	NA	PeJP	NA	NA
+PJ076238	VLEEEEY 	C40H59N7O17	909.3968	NA	PeJP	NA	NA
+PJ076239	SSSSQQMR 	C33H59N13O15S	909.3975	NA	PeJP	NA	NA
+PJ076240	QEERYW 	C41H55N11O13	909.3981	NA	PeJP	NA	NA
+PJ076241	GEMMMRR 	C34H63N13O10S3	909.3983	NA	PeJP	NA	NA
+PJ076242	GGGACKMMR 	C34H63N13O10S3	909.3984	NA	PeJP	NA	NA
+PJ076243	SCDHHRR 	C34H55N17O11S	909.3988	NA	PeJP	NA	NA
+PJ076244	TMMRWW 	C42H59N11O8S2	909.399	NA	PeJP	NA	NA
+PJ076245	STTEMRW 	C38H59N11O13S	909.4015	NA	PeJP	NA	NA
+PJ076246	VQEYWW 	C46H55N9O11	909.4021	NA	PeJP	NA	NA
+PJ076247	GGAPEFFW 	C46H55N9O11	909.4022	NA	PeJP	NA	NA
+PJ076248	GVMMMRW 	C39H63N11O8S3	909.4024	NA	PeJP	NA	NA
+PJ076249	GSMHHRW 	C39H55N15O9S	909.4028	NA	PeJP	NA	NA
+PJ076250	HHHFFW 	C47H51N13O7	909.4035	NA	PeJP	NA	NA
+PJ076251	SSTTTEER 	C34H59N11O18	909.404	NA	PeJP	NA	NA
+PJ076252	SSPTTMMR 	C35H63N11O13S2	909.4048	NA	PeJP	NA	NA
+PJ076253	SKEEMMR 	C35H63N11O13S2	909.4049	NA	PeJP	NA	NA
+PJ076254	PDDDHRR 	C35H55N15O14	909.4053	NA	PeJP	NA	NA
+PJ076255	GGGGGSPEHR 	C35H55N15O14	909.4054	NA	PeJP	NA	NA
+PJ076256	SSTLMWW 	C43H59N9O11S	909.4055	NA	PeJP	NA	NA
+PJ076257	TFFFYW 	C51H55N7O9	909.4062	NA	PeJP	NA	NA
+PJ076258	SSSTTLEW 	C39H59N9O16	909.408	NA	PeJP	NA	NA
+PJ076259	SSSSCQRR 	C32H59N15O14S	909.4087	NA	PeJP	NA	NA
+PJ076260	SVKEMMW 	C40H63N9O11S2	909.4089	NA	PeJP	NA	NA
+PJ076261	DDRRYW 	C40H55N13O12	909.4093	NA	PeJP	NA	NA
+PJ076262	GGGSQRYW 	C40H55N13O12	909.4094	NA	PeJP	NA	NA
+PJ076263	GVMFFFY 	C48H59N7O9S	909.4095	NA	PeJP	NA	NA
+PJ076264	CCNKMRR 	C33H63N15O9S3	909.4096	NA	PeJP	NA	NA
+PJ076265	SSSLKEEM 	C36H63N9O16S	909.4114	NA	PeJP	NA	NA
+PJ076266	STTLYYY 	C44H59N7O14	909.412	NA	PeJP	NA	NA
+PJ076267	LQKEMMM 	C37H67N9O11S3	909.4122	NA	PeJP	NA	NA
+PJ076268	GALKEMMM 	C37H67N9O11S3	909.4123	NA	PeJP	NA	NA
+PJ076269	GSSSCKRW 	C37H59N13O12S	909.4127	NA	PeJP	NA	NA
+PJ076270	GGGGGGAPLMH 	C37H59N13O12S	909.4128	NA	PeJP	NA	NA
+PJ076271	AERYWW 	C45H55N11O10	909.4134	NA	PeJP	NA	NA
+PJ076272	MMMRRW 	C38H63N13O7S3	909.4136	NA	PeJP	NA	NA
+PJ076273	GSSSSSDKR 	C33H59N13O17	909.4152	NA	PeJP	NA	NA
+PJ076274	LLEEEMF 	C41H63N7O14S	909.4154	NA	PeJP	NA	NA
+PJ076275	STEMMRR 	C34H63N13O12S2	909.4161	NA	PeJP	NA	NA
+PJ076276	NNNQQHR 	C34H55N17O13	909.4166	NA	PeJP	NA	NA
+PJ076277	GPTMRYW 	C42H59N11O10S	909.4167	NA	PeJP	NA	NA
+PJ076278	GVDMFRW 	C42H59N11O10S	909.4168	NA	PeJP	NA	NA
+PJ076279	GLYWWW 	C50H55N9O8	909.4174	NA	PeJP	NA	NA
+PJ076280	SSSSTQKW 	C38H59N11O15	909.4192	NA	PeJP	NA	NA
+PJ076281	GKEEERY 	C38H59N11O15	909.4193	NA	PeJP	NA	NA
+PJ076282	SSLMMRW 	C39H63N11O10S2	909.4201	NA	PeJP	NA	NA
+PJ076283	SSTHHRW 	C39H55N15O11	909.4206	NA	PeJP	NA	NA
+PJ076284	PKMYWW 	C47H59N9O8S	909.4208	NA	PeJP	NA	NA
+PJ076285	SSSTLEMR 	C35H63N11O15S	909.4226	NA	PeJP	NA	NA
+PJ076286	GVKEEYW 	C43H59N9O13	909.4233	NA	PeJP	NA	NA
+PJ076287	VDKMMMR 	C36H67N11O10S3	909.4235	NA	PeJP	NA	NA
+PJ076288	ACNQRRY 	C36H59N15O11S	909.4239	NA	PeJP	NA	NA
+PJ076289	GNNMRRY 	C36H59N15O11S	909.424	NA	PeJP	NA	NA
+PJ076290	APKMMFW 	C44H63N9O8S2	909.4241	NA	PeJP	NA	NA
+PJ076291	PEHRWW 	C44H55N13O9	909.4246	NA	PeJP	NA	NA
+PJ076292	GSSSSSSRR 	C32H59N15O16	909.4265	NA	PeJP	NA	NA
+PJ076293	SSSSLLMW 	C40H63N9O13S	909.4266	NA	PeJP	NA	NA
+PJ076294	GGGALLEMY 	C40H63N9O13S	909.4267	NA	PeJP	NA	NA
+PJ076295	AALFYYY 	C48H59N7O11	909.4273	NA	PeJP	NA	NA
+PJ076296	ALKMMMW 	C41H67N9O8S3	909.4275	NA	PeJP	NA	NA
+PJ076297	DMFRRW 	C41H59N13O9S	909.428	NA	PeJP	NA	NA
+PJ076298	PVHWWW 	C49H55N11O7	909.4286	NA	PeJP	NA	NA
+PJ076299	TTTTTKEE 	C36H63N9O18	909.4291	NA	PeJP	NA	NA
+PJ076300	GTTLKEMM 	C37H67N9O13S2	909.43	NA	PeJP	NA	NA
+PJ076301	GTEERRY 	C37H59N13O14	909.4305	NA	PeJP	NA	NA
+PJ076302	SCCKKRW 	C38H63N13O9S2	909.4313	NA	PeJP	NA	NA
+PJ076303	GPMMRRY 	C38H63N13O9S2	909.4314	NA	PeJP	NA	NA
+PJ076304	SQKHHHH 	C38H55N17O10	909.4318	NA	PeJP	NA	NA
+PJ076305	CLFRWW 	C46H59N11O7S	909.432	NA	PeJP	NA	NA
+PJ076306	SSSSQKMR 	C34H63N13O14S	909.4338	NA	PeJP	NA	NA
+PJ076307	GGSSSTKMR 	C34H63N13O14S	909.4339	NA	PeJP	NA	NA
+PJ076308	KEERYW 	C42H59N11O12	909.4345	NA	PeJP	NA	NA
+PJ076309	SVMMMRR 	C35H67N13O9S3	909.4347	NA	PeJP	NA	NA
+PJ076310	SSMHHRR 	C35H59N17O10S	909.4352	NA	PeJP	NA	NA
+PJ076311	QHHFRW 	C43H55N15O8	909.4358	NA	PeJP	NA	NA
+PJ076312	GAHHFRW 	C43H55N15O8	909.4359	NA	PeJP	NA	NA
+PJ076313	GSSSKKMW 	C39H63N11O12S	909.4379	NA	PeJP	NA	NA
+PJ076314	VKEYWW 	C47H59N9O10	909.4385	NA	PeJP	NA	NA
+PJ076315	VLMHHHH 	C40H59N15O8S	909.4392	NA	PeJP	NA	NA
+PJ076316	TTTTTTER 	C35H63N11O17	909.4404	NA	PeJP	NA	NA
+PJ076317	GTTTLMMR 	C36H67N11O12S2	909.4412	NA	PeJP	NA	NA
+PJ076318	GGGTTKKMM 	C36H67N11O12S2	909.4413	NA	PeJP	NA	NA
+PJ076319	SSNQRRY 	C36H59N15O13	909.4417	NA	PeJP	NA	NA
+PJ076320	GGGGGGGAAPPR 	C36H59N15O13	909.4418	NA	PeJP	NA	NA
+PJ076321	SPVKMYW 	C44H63N9O10S	909.4419	NA	PeJP	NA	NA
+PJ076322	AKMMHHR 	C37H63N15O8S2	909.4426	NA	PeJP	NA	NA
+PJ076323	STTTTTLW 	C40H63N9O15	909.4444	NA	PeJP	NA	NA
+PJ076324	SSSSCKRR 	C33H63N15O13S	909.4451	NA	PeJP	NA	NA
+PJ076325	TTLKMMW 	C41H67N9O10S2	909.4453	NA	PeJP	NA	NA
+PJ076326	TERRYW 	C41H59N13O11	909.4457	NA	PeJP	NA	NA
+PJ076327	GGGSPPPRW 	C41H59N13O11	909.4458	NA	PeJP	NA	NA
+PJ076328	STTTLKEM 	C37H67N9O15S	909.4478	NA	PeJP	NA	NA
+MJ097463	Micropeptin SF909 	C45H63N7O13	909.448385	NA	MeJP	NA	NA
+PJ076329	PLLEEFY 	C45H63N7O13	909.4484	NA	PeJP	NA	NA
+PJ076330	LKKEMMM 	C38H71N9O10S3	909.4486	NA	PeJP	NA	NA
+PJ076331	GVEMRRY 	C38H63N13O11S	909.4491	NA	PeJP	NA	NA
+PJ076332	SLRYWW 	C46H59N11O9	909.4498	NA	PeJP	NA	NA
+MJ097464	Ganefromycin ?1; 23-O-Phenylacetyl, 32-O-(2,6-dideoxy-?-L-galactopyranoside) 	C49H67NO15	909.45107	NA	MeJP	NA	NA
+MJ097465	Ganefromycin ?1; 24-O-(Phenylacetyl), 32-O-(2,6-dideoxy-?-L-galactopyranoside) 	C49H67NO15	909.45107	NA	MeJP	NA	NA
+PJ076333	GSSSSTTKR 	C34H63N13O16	909.4516	NA	PeJP	NA	NA
+PJ076334	LLLEEMY 	C42H67N7O13S	909.4518	NA	PeJP	NA	NA
+PJ076335	GSTCKKMR 	C35H67N13O11S2	909.4525	NA	PeJP	NA	NA
+PJ076336	GQQEHRR 	C35H59N17O12	909.4529	NA	PeJP	NA	NA
+PJ076337	ANQEHRR 	C35H59N17O12	909.453	NA	PeJP	NA	NA
+PJ076338	AALMRYW 	C43H63N11O9S	909.4531	NA	PeJP	NA	NA
+PJ076339	PKFFWW 	C51H59N9O7	909.4538	NA	PeJP	NA	NA
+PJ076340	SSSSTKKW 	C39H63N11O14	909.4556	NA	PeJP	NA	NA
+PJ076341	GGGVLLEEH 	C39H63N11O14	909.4557	NA	PeJP	NA	NA
+PJ076342	SCKKKMW 	C40H67N11O9S2	909.4565	NA	PeJP	NA	NA
+PJ076343	GVQQHRW 	C40H59N15O10	909.457	NA	PeJP	NA	NA
+PJ076344	LKMFWW 	C48H63N9O7S	909.4572	NA	PeJP	NA	NA
+PJ076345	STTTTLMR 	C36H67N11O14S	909.459	NA	PeJP	NA	NA
+PJ076346	ATLKEYW 	C44H63N9O12	909.4596	NA	PeJP	NA	NA
+PJ076347	VVTDKYW 	C44H63N9O12	909.4597	NA	PeJP	NA	NA
+PJ076348	TLKMMMR 	C37H71N11O9S3	909.4599	NA	PeJP	NA	NA
+PJ076349	EMRRRY 	C37H63N15O10S	909.4603	NA	PeJP	NA	NA
+PJ076350	GGACKRRY 	C37H63N15O10S	909.4604	NA	PeJP	NA	NA
+PJ076351	APPHFRW 	C45H59N13O8	909.461	NA	PeJP	NA	NA
+PJ076352	VLQKEMY 	C41H67N9O12S	909.463	NA	PeJP	NA	NA
+PJ076353	GNDHRRR 	C34H59N19O11	909.4642	NA	PeJP	NA	NA
+PJ076354	VMRRYW 	C42H63N13O8S	909.4644	NA	PeJP	NA	NA
+PJ076355	SSSTTTTLL 	C37H67N9O17	909.4655	NA	PeJP	NA	NA
+PJ076356	SSTLLKMM 	C38H71N9O12S2	909.4664	NA	PeJP	NA	NA
+PJ076357	SSLERRY 	C38H63N13O13	909.4669	NA	PeJP	NA	NA
+PJ076358	GLMMFRR 	C39H67N13O8S2	909.4677	NA	PeJP	NA	NA
+PJ076359	QQHRRW 	C39H59N17O9	909.4682	NA	PeJP	NA	NA
+PJ076360	SSSSKKMR 	C35H67N13O13S	909.4702	NA	PeJP	NA	NA
+MJ097466	Serylglutamylprolyltyrosylleucylarginylphenylalaninamide 	C43H63N11O11	909.470851	NA	MeJP	NA	NA
+PJ076361	ATTLRYW 	C43H63N11O11	909.4709	NA	PeJP	NA	NA
+PJ076362	PCNKHRR 	C36H63N17O9S	909.4716	NA	PeJP	NA	NA
+PJ076363	KHHFRW 	C44H59N15O7	909.4722	NA	PeJP	NA	NA
+PJ076364	SLLQMRY 	C40H67N11O11S	909.4742	NA	PeJP	NA	NA
+PJ076365	ALKEMRY 	C40H67N11O11S	909.4743	NA	PeJP	NA	NA
+PJ076366	GPLKFYW 	C48H63N9O9	909.4749	NA	PeJP	NA	NA
+PJ076367	SSSSSSLKK 	C36H67N11O16	909.4767	NA	PeJP	NA	NA
+PJ076368	GSSTTTTKK 	C36H67N11O16	909.4768	NA	PeJP	NA	NA
+PJ076369	GSTKKKMM 	C37H71N11O11S2	909.4776	NA	PeJP	NA	NA
+PJ076370	SSNKRRY 	C37H63N15O12	909.4781	NA	PeJP	NA	NA
+PJ076371	GLLKMYW 	C45H67N9O9S	909.4783	NA	PeJP	NA	NA
+PJ076372	APHHHRR 	C38H59N19O8	909.4795	NA	PeJP	NA	NA
+PJ076373	TLKKEEY 	C41H67N9O14	909.4808	NA	PeJP	NA	NA
+PJ076374	PLKKMMY 	C42H71N9O9S2	909.4817	NA	PeJP	NA	NA
+PJ076375	GLLEHRW 	C42H63N13O10	909.4821	NA	PeJP	NA	NA
+MJ097467	Cyanoginosin; Cyanoginosin LA 	C46H67N7O12	909.48477	NA	MeJP	NA	NA
+PJ076376	PLLLEYY 	C46H67N7O12	909.4848	NA	PeJP	NA	NA
+PJ076377	ATLMRRY 	C39H67N13O10S	909.4855	NA	PeJP	NA	NA
+PJ076378	AVVLHWW 	C47H63N11O8	909.4861	NA	PeJP	NA	NA
+PJ076379	GVLLHWW 	C47H63N11O8	909.4862	NA	PeJP	NA	NA
+PJ076380	PPNDRRR 	C36H63N17O11	909.4893	NA	PeJP	NA	NA
+PJ076381	GGPPDRRR 	C36H63N17O11	909.4894	NA	PeJP	NA	NA
+PJ076382	ACKKKFW 	C44H67N11O8S	909.4895	NA	PeJP	NA	NA
+PJ076383	TTLKERY 	C40H67N11O13	909.492	NA	PeJP	NA	NA
+PJ076384	VVKMMFR 	C41H71N11O8S2	909.4929	NA	PeJP	NA	NA
+PJ076385	APPQRRW 	C41H63N15O9	909.4934	NA	PeJP	NA	NA
+PJ076386	SSTTKKKM 	C37H71N11O13S	909.4954	NA	PeJP	NA	NA
+PJ076387	STLLKYW 	C45H67N9O11	909.496	NA	PeJP	NA	NA
+PJ076388	GPPVLLEW 	C45H67N9O11	909.4961	NA	PeJP	NA	NA
+PJ076389	GCKKRRY 	C38H67N15O9S	909.4967	NA	PeJP	NA	NA
+PJ076390	LLHRWW 	C46H63N13O7	909.4974	NA	PeJP	NA	NA
+PJ076391	VLKKEMY 	C42H71N9O11S	909.4994	NA	PeJP	NA	NA
+PJ076392	GTQHRRR 	C35H63N19O10	909.5006	NA	PeJP	NA	NA
+PJ076393	TTTLRRY 	C39H67N13O12	909.5032	NA	PeJP	NA	NA
+PJ076394	GGTTKKRY 	C39H67N13O12	909.5033	NA	PeJP	NA	NA
+PJ076395	QKHRRW 	C40H63N17O8	909.5046	NA	PeJP	NA	NA
+PJ076396	GTKKKYW 	C44H67N11O10	909.5073	NA	PeJP	NA	NA
+MJ097468	Leptinidine; 23-O-Ac, glycoside (Unknown struct. 1) 	C47H75NO16	909.508585	NA	MeJP	NA	NA
+3820	smooth muscles contracting peptide	WWGKKYRASKLGLAR	909.5105	MH2+	Inhouse_peptide	NA	peptide
+PJ076397	SLLKMRY 	C41H71N11O10S	909.5106	NA	PeJP	NA	NA
+PJ076398	GGVKKKMY 	C41H71N11O10S	909.5107	NA	PeJP	NA	NA
+PJ076399	PPVLLWW 	C49H67N9O8	909.5113	NA	PeJP	NA	NA
+PJ076400	SLLEHRR 	C38H67N15O11	909.5145	NA	PeJP	NA	NA
+PJ076401	PLKKMFF 	C46H71N9O8S	909.5147	NA	PeJP	NA	NA
+PJ076402	SSSLLLKY 	C42H71N9O13	909.5172	NA	PeJP	NA	NA
+PJ076403	LLKKMMF 	C43H75N9O8S2	909.518	NA	PeJP	NA	NA
+PJ076404	SVLLHRW 	C43H67N13O9	909.5185	NA	PeJP	NA	NA
+PJ076405	LLLLEFY 	C47H71N7O11	909.5212	NA	PeJP	NA	NA
+PJ076406	GKKKMRY 	C40H71N13O9S	909.5219	NA	PeJP	NA	NA
+PJ076407	PPTQRRR 	C37H67N17O10	909.5257	NA	PeJP	NA	NA
+PJ076408	SKKKKEY 	C41H71N11O12	909.5284	NA	PeJP	NA	NA
+PJ076409	APPKRRW 	C42H67N15O8	909.5297	NA	PeJP	NA	NA
+PJ076410	GVKKHRW 	C42H67N15O8	909.5298	NA	PeJP	NA	NA
+PJ076411	APPTLLLW 	C46H71N9O10	909.5324	NA	PeJP	NA	NA
+PJ076412	VVLMHRR 	C39H71N15O8S	909.5331	NA	PeJP	NA	NA
+PJ076413	PPVLLLQM 	C43H75N9O10S	909.5358	NA	PeJP	NA	NA
+PJ076414	GTKHRRR 	C36H67N19O9	909.537	NA	PeJP	NA	NA
+PJ076415	STKKKRY 	C40H71N13O11	909.5396	NA	PeJP	NA	NA
+PJ076416	GPPVKKER 	C40H71N13O11	909.5397	NA	PeJP	NA	NA
+PJ076417	KKHRRW 	C41H67N17O7	909.541	NA	PeJP	NA	NA
+PJ076418	TLLLKHW 	C45H71N11O9	909.5437	NA	PeJP	NA	NA
+PJ076419	CLKKKKY 	C42H75N11O9S	909.547	NA	PeJP	NA	NA
+PJ076420	PPKKERR 	C39H71N15O10	909.5509	NA	PeJP	NA	NA
+PJ076421	PPTLLLKE 	C43H75N9O12	909.5536	NA	PeJP	NA	NA
+PJ076422	PPVKKRW 	C44H71N13O8	909.5549	NA	PeJP	NA	NA
+PJ076423	LLLLLYY 	C48H75N7O10	909.5576	NA	PeJP	NA	NA
+PJ076424	LLLKMHR 	C41H75N13O8S	909.5583	NA	PeJP	NA	NA
+PJ076425	PPTKRRR 	C38H71N17O9	909.5621	NA	PeJP	NA	NA
+PJ076426	GPLLLLER 	C42H75N11O11	909.5648	NA	PeJP	NA	NA
+PJ076427	GPVLLLLW 	C47H75N9O9	909.5688	NA	PeJP	NA	NA
+PJ076428	PPVLLLKM 	C44H79N9O9S	909.5722	NA	PeJP	NA	NA
+PJ076429	GPLRRRR 	C37H71N19O8	909.5734	NA	PeJP	NA	NA
+PJ076430	APPTLKKR 	C41H75N13O10	909.576	NA	PeJP	NA	NA
+PJ076431	PLLLLRW 	C46H75N11O8	909.5801	NA	PeJP	NA	NA
+PJ076432	PLLQKRR 	C40H75N15O9	909.5873	NA	PeJP	NA	NA
+PJ076433	PTLLLLLQ 	C44H79N9O11	909.5899	NA	PeJP	NA	NA
+PJ076434	PVVLLLKE 	C44H79N9O11	909.59	NA	PeJP	NA	NA
+PJ076435	PVVKRRR 	C39H75N17O8	909.5985	NA	PeJP	NA	NA
+PJ076436	SPVLLLLR 	C43H79N11O10	909.6012	NA	PeJP	NA	NA
+PJ076437	GPVLLKKR 	C42H79N13O9	909.6124	NA	PeJP	NA	NA
+PJ076438	PLLKKRR 	C41H79N15O8	909.6236	NA	PeJP	NA	NA
+PJ076439	PTLLLLLK 	C45H83N9O10	909.6263	NA	PeJP	NA	NA
+PJ076440	GLLLLLLR 	C44H83N11O9	909.6376	NA	PeJP	NA	NA
+PJ076441	VVLLLLLK 	C46H87N9O9	909.6627	NA	PeJP	NA	NA
+MJ097469	Brevifolincarboxylic acid; 1,3,6-Tri-O-galloyl-?-D-glucopyranosyl ester 	C40H30O25	910.107616	NA	MeJP	NA	NA
+PJ076442	GCCCCCCCN 	C27H46N10O11S7	910.1393	NA	PeJP	NA	NA
+PJ076443	CCCCCDMM 	C29H50N8O11S7	910.1644	NA	PeJP	NA	NA
+PJ076444	CCCCCDDF 	C32H46N8O13S5	910.1788	NA	PeJP	NA	NA
+PJ076445	CCCCCCHH 	C30H46N12O9S6	910.1835	NA	PeJP	NA	NA
+PJ076446	SCCCCDDY 	C32H46N8O15S4	910.1966	NA	PeJP	NA	NA
+PJ076447	SCCCCMMM 	C30H54N8O10S7	910.2008	NA	PeJP	NA	NA
+PJ076448	GCCCCEMY 	C33H50N8O12S5	910.2152	NA	PeJP	NA	NA
+MJ097470	Carthamin 	C43H42O22	910.216773	NA	MeJP	NA	NA
+C16941	Carthamin	C43H42O22	910.2168	NA	KEGG	NA	NA
+PJ076449	CCCCNNDH 	C30H46N12O13S4	910.2191	NA	PeJP	NA	NA
+PJ076450	SCCCDDEH 	C31H46N10O16S3	910.2256	NA	PeJP	NA	NA
+PJ076451	PCCCCDMH 	C32H50N10O11S5	910.2265	NA	PeJP	NA	NA
+PJ076452	CCCCMYW 	C37H50N8O9S5	910.2305	NA	PeJP	NA	NA
+PJ076453	SDDDDDDD 	C31H42N8O24	910.2312	NA	PeJP	NA	NA
+PJ076454	PCCDDDDE 	C32H46N8O19S2	910.2321	NA	PeJP	NA	NA
+PJ076455	SSCCCDMY 	C33H50N8O14S4	910.233	NA	PeJP	NA	NA
+PJ076456	ACCCCMMF 	C34H54N8O9S6	910.2338	NA	PeJP	NA	NA
+PJ076457	GCCDDMMH 	C32H50N10O13S4	910.2442	NA	PeJP	NA	NA
+PJ076458	GPCCCCYY 	C37H50N8O11S4	910.2482	NA	PeJP	NA	NA
+PJ076459	GDDDDDEM 	C32H46N8O21S	910.2499	NA	PeJP	NA	NA
+PJ076460	GTCCCMMY 	C34H54N8O11S5	910.2516	NA	PeJP	NA	NA
+PJ076461	CCNNNNDD 	C30H46N12O17S2	910.2546	NA	PeJP	NA	NA
+PJ076462	SCCCNNMH 	C31H50N12O12S4	910.2554	NA	PeJP	NA	NA
+PJ076463	GGGGSCCCMH 	C31H50N12O12S4	910.2555	NA	PeJP	NA	NA
+PJ076464	GCCDDDHF 	C35H46N10O15S2	910.2586	NA	PeJP	NA	NA
+PJ076465	CCCEMHW 	C36H50N10O10S4	910.2595	NA	PeJP	NA	NA
+PJ076466	SCNNDDDE 	C31H46N10O20S	910.2611	NA	PeJP	NA	NA
+PJ076467	SSCCDEMH 	C32H50N10O15S3	910.262	NA	PeJP	NA	NA
+PJ076468	SPCCCMMH 	C33H54N10O10S5	910.2628	NA	PeJP	NA	NA
+PJ076469	GCCCDHHH 	C33H46N14O11S3	910.2633	NA	PeJP	NA	NA
+PJ076470	CCCCFFW 	C41H50N8O8S4	910.2635	NA	PeJP	NA	NA
+PJ076471	DDDDDMW 	C36H46N8O18S	910.2651	NA	PeJP	NA	NA
+PJ076472	CCNDMYY 	C37H50N8O13S3	910.266	NA	PeJP	NA	NA
+PJ076473	SSDDDDEE 	C32H46N8O23	910.2676	NA	PeJP	NA	NA
+PJ076474	SPCDDDEM 	C33H50N8O18S2	910.2685	NA	PeJP	NA	NA
+PJ076475	SSSCCMMY 	C34H54N8O13S4	910.2693	NA	PeJP	NA	NA
+PJ076476	PPCCDDMM 	C34H54N8O13S4	910.2694	NA	PeJP	NA	NA
+PJ076477	GSSSCCCQH 	C31H50N12O14S3	910.2732	NA	PeJP	NA	NA
+PJ076478	GSCNDDDW 	C35H46N10O17S	910.2764	NA	PeJP	NA	NA
+PJ076479	GPCCCNEW 	C36H50N10O12S3	910.2772	NA	PeJP	NA	NA
+PJ076480	GSSSNDDDD 	C31H46N10O22	910.2789	NA	PeJP	NA	NA
+PJ076481	GNNDDDMM 	C32H50N10O17S2	910.2797	NA	PeJP	NA	NA
+PJ076482	GSCDMMMH 	C33H54N10O12S4	910.2806	NA	PeJP	NA	NA
+PJ076483	ACCCYYW 	C41H50N8O10S3	910.2812	NA	PeJP	NA	NA
+PJ076484	GPDDDDDY 	C36H46N8O20	910.2829	NA	PeJP	NA	NA
+PJ076485	GSSCCEYY 	C37H50N8O15S2	910.2837	NA	PeJP	NA	NA
+PJ076486	PPCCDDDF 	C37H50N8O15S2	910.2838	NA	PeJP	NA	NA
+PJ076487	CCNMMFY 	C38H54N8O10S4	910.2846	NA	PeJP	NA	NA
+PJ076488	GSCEEEEE 	C33H50N8O20S	910.2862	NA	PeJP	NA	NA
+PJ076489	GSDDEEEM 	C33H50N8O20S	910.2863	NA	PeJP	NA	NA
+PJ076490	GPDDDMMM 	C34H54N8O15S3	910.2871	NA	PeJP	NA	NA
+PJ076491	GCCCNQHF 	C35H50N12O11S3	910.2885	NA	PeJP	NA	NA
+PJ076492	SSSSSCCNH 	C31H50N12O16S2	910.2909	NA	PeJP	NA	NA
+PJ076493	GCCNDDER 	C31H50N12O16S2	910.291	NA	PeJP	NA	NA
+PJ076494	SCCCCQKH 	C32H54N12O11S4	910.2918	NA	PeJP	NA	NA
+PJ076495	PCCCNWW 	C40H50N10O9S3	910.2925	NA	PeJP	NA	NA
+PJ076496	GNNDDDDF 	C35H46N10O19	910.2941	NA	PeJP	NA	NA
+PJ076497	CNNDEMW 	C36H50N10O14S2	910.295	NA	PeJP	NA	NA
+PJ076498	TCCMMHW 	C37H54N10O9S4	910.2958	NA	PeJP	NA	NA
+PJ076499	APCCCMHF 	C37H54N10O9S4	910.2959	NA	PeJP	NA	NA
+PJ076500	SSNNDDEM 	C32H50N10O19S	910.2975	NA	PeJP	NA	NA
+PJ076501	SSSCEMMH 	C33H54N10O14S3	910.2983	NA	PeJP	NA	NA
+PJ076502	GGSPCNDMM 	C33H54N10O14S3	910.2984	NA	PeJP	NA	NA
+PJ076503	GCNNDDHH 	C33H46N14O15S	910.2988	NA	PeJP	NA	NA
+PJ076504	SSCCYYW 	C41H50N8O12S2	910.299	NA	PeJP	NA	NA
+PJ076505	CQMMMMH 	C34H58N10O9S5	910.2992	NA	PeJP	NA	NA
+PJ076506	GSCCMHHH 	C34H50N14O10S3	910.2997	NA	PeJP	NA	NA
+PJ076507	SDDEEMW 	C37H50N8O17S	910.3015	NA	PeJP	NA	NA
+PJ076508	PCDEMMW 	C38H54N8O12S3	910.3024	NA	PeJP	NA	NA
+PJ076509	SSSDEEEE 	C33H50N8O22	910.304	NA	PeJP	NA	NA
+PJ076510	NEEEEMM 	C34H54N8O17S2	910.3049	NA	PeJP	NA	NA
+PJ076511	GSDDDEHH 	C34H46N12O18	910.3054	NA	PeJP	NA	NA
+PJ076512	SPPCDMMM 	C35H58N8O12S4	910.3057	NA	PeJP	NA	NA
+PJ076513	CCNDDRW 	C35H50N12O13S2	910.3062	NA	PeJP	NA	NA
+PJ076514	SSCNDDDR 	C31H50N12O18S	910.3087	NA	PeJP	NA	NA
+PJ076515	SPCCCNER 	C32H54N12O13S3	910.3096	NA	PeJP	NA	NA
+PJ076516	GCNDMWW 	C40H50N10O11S2	910.3102	NA	PeJP	NA	NA
+PJ076517	CCMMMHR 	C33H58N12O8S5	910.3105	NA	PeJP	NA	NA
+MJ097471	Austrosmoside 	C42H54O22	910.310673	NA	MeJP	NA	NA
+MJ097472	GL 5 	C42H54O22	910.310673	NA	MeJP	NA	NA
+MJ097473	Jaspolyanoside 	C42H54O22	910.310673	NA	MeJP	NA	NA
+PJ076518	GSSNDDMW 	C36H50N10O16S	910.3127	NA	PeJP	NA	NA
+PJ076519	GGGGGPCDEY 	C36H50N10O16S	910.3128	NA	PeJP	NA	NA
+PJ076520	GSPCCQMW 	C37H54N10O11S3	910.3136	NA	PeJP	NA	NA
+PJ076521	GSSSSNDEE 	C32H50N10O21	910.3152	NA	PeJP	NA	NA
+PJ076522	DDDEMMR 	C33H54N10O16S2	910.3161	NA	PeJP	NA	NA
+PJ076523	GCNEYYY 	C41H50N8O14S	910.3167	NA	PeJP	NA	NA
+PJ076524	PCDDEFW 	C41H50N8O14S	910.3168	NA	PeJP	NA	NA
+PJ076525	GSSMMMMH 	C34H58N10O11S4	910.317	NA	PeJP	NA	NA
+PJ076526	SSTCCHHH 	C34H50N14O12S2	910.3174	NA	PeJP	NA	NA
+PJ076527	GGSPCCNHH 	C34H50N14O12S2	910.3175	NA	PeJP	NA	NA
+PJ076528	CCNMFFF 	C42H54N8O9S3	910.3176	NA	PeJP	NA	NA
+MetaCyc04292	3''-adenylylstreptomycin []	C31H51N12O18P1	910.318189	NA	metacyc	NA	NA
+C03462	3''-Adenylylstreptomycin	C31H51N12O18P	910.3182	NA	KEGG	NA	NA
+C03463	3'-Phosphopolynucleotide	C10H18O13P2R2	910.3182	NA	KEGG	NA	NA
+PJ076529	GSPDDEEY 	C37H50N8O19	910.3193	NA	PeJP	NA	NA
+PJ076530	GEEEMMW 	C38H54N8O14S2	910.3201	NA	PeJP	NA	NA
+PJ076531	SDDDHHW 	C38H46N12O15	910.3206	NA	PeJP	NA	NA
+PJ076532	GCCNNNMR 	C31H54N14O12S3	910.3208	NA	PeJP	NA	NA
+PJ076533	PCCEHHW 	C39H50N12O10S2	910.3215	NA	PeJP	NA	NA
+PJ076534	GSTEEEEM 	C34H54N8O19S	910.3226	NA	PeJP	NA	NA
+PJ076535	GSPEEMMM 	C35H58N8O14S3	910.3235	NA	PeJP	NA	NA
+PJ076536	SSSCNNNW 	C35H50N12O15S	910.324	NA	PeJP	NA	NA
+PJ076537	APPCMMMM 	C36H62N8O9S5	910.3244	NA	PeJP	NA	NA
+PJ076538	GSPCCCRW 	C36H54N12O10S3	910.3248	NA	PeJP	NA	NA
+PJ076539	GGGCCCKHF 	C36H54N12O10S3	910.3249	NA	PeJP	NA	NA
+PJ076540	CCQWWW 	C44H50N10O8S2	910.3255	NA	PeJP	NA	NA
+PJ076541	SSSSSNNND 	C31H50N12O20	910.3265	NA	PeJP	NA	NA
+PJ076542	GSCNDEMR 	C32H54N12O15S2	910.3273	NA	PeJP	NA	NA
+PJ076543	GGGSCDEMR 	C32H54N12O15S2	910.3274	NA	PeJP	NA	NA
+PJ076544	SSCNEWW 	C40H50N10O13S	910.328	NA	PeJP	NA	NA
+PJ076545	GPCCNMMR 	C33H58N12O10S4	910.3282	NA	PeJP	NA	NA
+PJ076546	GCMMHFW 	C41H54N10O8S3	910.3289	NA	PeJP	NA	NA
+PJ076547	SSSSNDEW 	C36H50N10O18	910.3305	NA	PeJP	NA	NA
+PJ076548	SNNEMMW 	C37H54N10O13S2	910.3314	NA	PeJP	NA	NA
+PJ076549	CNYYYW 	C45H50N8O11S	910.332	NA	PeJP	NA	NA
+PJ076550	CCQHHHF 	C38H50N14O9S2	910.3327	NA	PeJP	NA	NA
+PJ076551	SSSSSPCQE 	C33H54N10O18S	910.3338	NA	PeJP	NA	NA
+PJ076552	SSSNQEEM 	C33H54N10O18S	910.3339	NA	PeJP	NA	NA
+PJ076553	SPDDEYW 	C41H50N8O16	910.3345	NA	PeJP	NA	NA
+PJ076554	SSSTMMMH 	C34H58N10O13S3	910.3347	NA	PeJP	NA	NA
+PJ076555	GGGGAAEMMM 	C34H58N10O13S3	910.3348	NA	PeJP	NA	NA
+PJ076556	CDDEHHR 	C34H50N14O14S	910.3352	NA	PeJP	NA	NA
+PJ076557	EEMMWW 	C42H54N8O11S2	910.3354	NA	PeJP	NA	NA
+PJ076558	CKMMMMH 	C35H62N10O8S5	910.3356	NA	PeJP	NA	NA
+PJ076559	STEEEMW 	C38H54N8O16S	910.3379	NA	PeJP	NA	NA
+PJ076560	GSCCDDRR 	C31H54N14O14S2	910.3386	NA	PeJP	NA	NA
+PJ076561	SPEMMMW 	C39H58N8O11S3	910.3387	NA	PeJP	NA	NA
+PJ076562	PTDMMMW 	C39H58N8O11S3	910.3388	NA	PeJP	NA	NA
+PJ076563	CNNNNFW 	C39H50N12O12S	910.3392	NA	PeJP	NA	NA
+PJ076564	GGGGGGGGCFW 	C39H50N12O12S	910.3393	NA	PeJP	NA	NA
+PJ076565	APCCCCRR 	C32H58N14O9S4	910.3395	NA	PeJP	NA	NA
+PJ076566	SSTTEEEE 	C34H54N8O21	910.3404	NA	PeJP	NA	NA
+PJ076567	DKEEEMM 	C35H58N8O16S2	910.3413	NA	PeJP	NA	NA
+PJ076568	NNDDDRY 	C35H50N12O17	910.3417	NA	PeJP	NA	NA
+PJ076569	GGGGGGGGGSEY 	C35H50N12O17	910.3418	NA	PeJP	NA	NA
+PJ076570	AAPEMMMM 	C36H62N8O11S4	910.3421	NA	PeJP	NA	NA
+PJ076571	SCNDMRW 	C36H54N12O12S2	910.3426	NA	PeJP	NA	NA
+PJ076572	NDDHHHH 	C36H46N16O13	910.3431	NA	PeJP	NA	NA
+PJ076573	GSSCWWW 	C44H50N10O10S	910.3432	NA	PeJP	NA	NA
+PJ076574	SSSNDDMR 	C32H54N12O17S	910.3451	NA	PeJP	NA	NA
+PJ076575	GSSSSDWW 	C40H50N10O15	910.3457	NA	PeJP	NA	NA
+PJ076576	GGGNEEYW 	C40H50N10O15	910.3458	NA	PeJP	NA	NA
+PJ076577	NNDMMMR 	C33H58N12O12S3	910.346	NA	PeJP	NA	NA
+PJ076578	GSNMMWW 	C41H54N10O10S2	910.3466	NA	PeJP	NA	NA
+PJ076579	GSSSQEMW 	C37H54N10O15S	910.3491	NA	PeJP	NA	NA
+PJ076580	DEEFWW 	C45H50N8O13	910.3498	NA	PeJP	NA	NA
+PJ076581	GQQMMMW 	C38H58N10O10S3	910.35	NA	PeJP	NA	NA
+PJ076582	SCNQHHW 	C38H50N14O11S	910.3505	NA	PeJP	NA	NA
+PJ076583	GSSSSTQEE 	C33H54N10O20	910.3516	NA	PeJP	NA	NA
+PJ076584	SEEEMMR 	C34H58N10O15S2	910.3525	NA	PeJP	NA	NA
+PJ076585	SSSNNEHH 	C34H50N14O16	910.353	NA	PeJP	NA	NA
+PJ076586	GPEEMYW 	C42H54N8O13S	910.3531	NA	PeJP	NA	NA
+PJ076587	GPPCDEFF 	C42H54N8O13S	910.3532	NA	PeJP	NA	NA
+PJ076588	PDMMMMR 	C35H62N10O10S4	910.3534	NA	PeJP	NA	NA
+PJ076589	NNQMMHH 	C35H54N14O11S2	910.3538	NA	PeJP	NA	NA
+PJ076590	GGGGGAMMHH 	C35H54N14O11S2	910.3539	NA	PeJP	NA	NA
+PJ076591	PPCMMFW 	C43H58N8O8S3	910.354	NA	PeJP	NA	NA
+PJ076592	DMHHWW 	C43H50N12O9S	910.3545	NA	PeJP	NA	NA
+PJ076593	VNEEEEY 	C38H54N8O18	910.3556	NA	PeJP	NA	NA
+PJ076594	GGVEEEEY 	C38H54N8O18	910.3557	NA	PeJP	NA	NA
+PJ076595	GSSSSCNNR 	C31H54N14O16S	910.3563	NA	PeJP	NA	NA
+PJ076596	SVEEMMW 	C39H58N8O13S2	910.3565	NA	PeJP	NA	NA
+PJ076597	SNNNNYW 	C39H50N12O14	910.357	NA	PeJP	NA	NA
+PJ076598	CCNEMRR 	C32H58N14O11S3	910.3572	NA	PeJP	NA	NA
+PJ076599	PCLMMMW 	C40H62N8O8S4	910.3574	NA	PeJP	NA	NA
+PJ076600	ASCCRWW 	C40H54N12O9S2	910.3578	NA	PeJP	NA	NA
+PJ076601	GTCCRWW 	C40H54N12O9S2	910.3579	NA	PeJP	NA	NA
+PJ076602	SSSLEEEM 	C35H58N8O18S	910.359	NA	PeJP	NA	NA
+PJ076603	LQEEMMM 	C36H62N8O13S3	910.3599	NA	PeJP	NA	NA
+PJ076604	NNNQQMY 	C36H54N12O14S	910.3603	NA	PeJP	NA	NA
+PJ076605	GSSSCERW 	C36H54N12O14S	910.3604	NA	PeJP	NA	NA
+PJ076606	NNEYWW 	C44H50N10O12	910.361	NA	PeJP	NA	NA
+PJ076607	GCQMMRW 	C37H58N12O9S3	910.3612	NA	PeJP	NA	NA
+PJ076608	GSPCHHHH 	C37H50N16O10S	910.3617	NA	PeJP	NA	NA
+PJ076609	CCKWWW 	C45H54N10O7S2	910.3619	NA	PeJP	NA	NA
+PJ076610	GSSSSSDER 	C32H54N12O19	910.3628	NA	PeJP	NA	NA
+PJ076611	GSSSSTDDR 	C32H54N12O19	910.3629	NA	PeJP	NA	NA
+MJ097474	Nitaphylline 	C48H54N4O14	910.363652	NA	MeJP	NA	NA
+PJ076612	GSSNEMMR 	C33H58N12O14S2	910.3637	NA	PeJP	NA	NA
+PJ076613	GNNNNNQH 	C33H50N16O15	910.3642	NA	PeJP	NA	NA
+PJ076614	SSSQMWW 	C41H54N10O12S	910.3644	NA	PeJP	NA	NA
+PJ076615	APCCCKMR 	C34H62N12O9S4	910.3646	NA	PeJP	NA	NA
+PJ076616	CNNMHHR 	C34H54N16O10S2	910.3651	NA	PeJP	NA	NA
+PJ076617	SSSSTQEW 	C37H54N10O17	910.3669	NA	PeJP	NA	NA
+PJ076618	SNDKMMW 	C38H58N10O12S2	910.3677	NA	PeJP	NA	NA
+PJ076619	GGSDKMMW 	C38H58N10O12S2	910.3678	NA	PeJP	NA	NA
+PJ076620	GSSSNHHW 	C38H50N14O13	910.3682	NA	PeJP	NA	NA
+PJ076621	PEMYWW 	C46H54N8O10S	910.3684	NA	PeJP	NA	NA
+PJ076622	CCKHHHF 	C39H54N14O8S2	910.3691	NA	PeJP	NA	NA
+PJ076623	SSSNKEEM 	C34H58N10O17S	910.3702	NA	PeJP	NA	NA
+PJ076624	GGSSSKEEM 	C34H58N10O17S	910.3703	NA	PeJP	NA	NA
+PJ076625	GVEEEYW 	C42H54N8O15	910.3709	NA	PeJP	NA	NA
+PJ076626	VDEMMMR 	C35H62N10O12S3	910.3711	NA	PeJP	NA	NA
+PJ076627	CNNNQRY 	C35H54N14O13S	910.3716	NA	PeJP	NA	NA
+PJ076628	SPPMMYW 	C43H58N8O10S2	910.3718	NA	PeJP	NA	NA
+PJ076629	GPNDHWW 	C43H50N12O11	910.3722	NA	PeJP	NA	NA
+PJ076630	GGGPDHWW 	C43H50N12O11	910.3723	NA	PeJP	NA	NA
+PJ076631	GCCMRRW 	C36H58N14O8S3	910.3725	NA	PeJP	NA	NA
+PJ076632	PDKEEMY 	C39H58N8O15S	910.3743	NA	PeJP	NA	NA
+PJ076633	SSCCNNKR 	C32H58N14O13S2	910.3749	NA	PeJP	NA	NA
+PJ076634	GSSCDMRR 	C32H58N14O13S2	910.375	NA	PeJP	NA	NA
+PJ076635	ALEMMMW 	C40H62N8O10S3	910.3751	NA	PeJP	NA	NA
+PJ076636	SSSCRWW 	C40H54N12O11S	910.3756	NA	PeJP	NA	NA
+PJ076637	GNYWWW 	C48H50N10O9	910.3763	NA	PeJP	NA	NA
+PJ076638	TTTTTEEE 	C35H58N8O20	910.3768	NA	PeJP	NA	NA
+PJ076639	GTTLEEMM 	C36H62N8O15S2	910.3776	NA	PeJP	NA	NA
+PJ076640	SSSSSDRW 	C36H54N12O16	910.3781	NA	PeJP	NA	NA
+PJ076641	GPTLMMMM 	C37H66N8O10S4	910.3785	NA	PeJP	NA	NA
+PJ076642	SSNMMRW 	C37H58N12O11S2	910.379	NA	PeJP	NA	NA
+PJ076643	SQEHHHH 	C37H50N16O12	910.3794	NA	PeJP	NA	NA
+PJ076644	GGTEHHHH 	C37H50N16O12	910.3795	NA	PeJP	NA	NA
+PJ076645	NQMFWW 	C45H54N10O9S	910.3796	NA	PeJP	NA	NA
+PJ076646	SSSSQEMR 	C33H58N12O16S	910.3815	NA	PeJP	NA	NA
+PJ076647	GSSSTTWW 	C41H54N10O14	910.3821	NA	PeJP	NA	NA
+PJ076648	GGGPPPDEW 	C41H54N10O14	910.3822	NA	PeJP	NA	NA
+PJ076649	SQQMMMR 	C34H62N12O11S3	910.3823	NA	PeJP	NA	NA
+PJ076650	GGTQMMMR 	C34H62N12O11S3	910.3824	NA	PeJP	NA	NA
+PJ076651	GSSCQHHR 	C34H54N16O12S	910.3828	NA	PeJP	NA	NA
+PJ076652	GGGGGGGPCHR 	C34H54N16O12S	910.3829	NA	PeJP	NA	NA
+PJ076653	GTCKMWW 	C42H58N10O9S2	910.383	NA	PeJP	NA	NA
+PJ076654	GNNHHFW 	C42H50N14O10	910.3835	NA	PeJP	NA	NA
+PJ076655	GSSSKEMW 	C38H58N10O14S	910.3855	NA	PeJP	NA	NA
+PJ076656	QQFYYY 	C46H54N8O12	910.3861	NA	PeJP	NA	NA
+PJ076657	VEEYWW 	C46H54N8O12	910.3862	NA	PeJP	NA	NA
+PJ076658	GQKMMMW 	C39H62N10O9S3	910.3864	NA	PeJP	NA	NA
+PJ076659	SCNKHHW 	C39H54N14O10S	910.3868	NA	PeJP	NA	NA
+PJ076660	GGSCKHHW 	C39H54N14O10S	910.3869	NA	PeJP	NA	NA
+PJ076661	GSSSSTKEE 	C34H58N10O19	910.388	NA	PeJP	NA	NA
+PJ076662	GSTQKEMM 	C35H62N10O14S2	910.3889	NA	PeJP	NA	NA
+PJ076663	GSSNNNRY 	C35H54N14O15	910.3893	NA	PeJP	NA	NA
+PJ076664	GGGGGSSNRY 	C35H54N14O15	910.3894	NA	PeJP	NA	NA
+PJ076665	SPVEMYW 	C43H58N8O12S	910.3895	NA	PeJP	NA	NA
+PJ076666	APCCKKMM 	C36H66N10O9S4	910.3898	NA	PeJP	NA	NA
+PJ076667	STCCRRW 	C36H58N14O10S2	910.3902	NA	PeJP	NA	NA
+PJ076668	CNFRWW 	C44H54N12O8S	910.3909	NA	PeJP	NA	NA
+PJ076669	VDKEEEY 	C39H58N8O17	910.392	NA	PeJP	NA	NA
+PJ076670	SSSSCERR 	C32H58N14O15S	910.3927	NA	PeJP	NA	NA
+PJ076671	TTLEMMW 	C40H62N8O12S2	910.3929	NA	PeJP	NA	NA
+PJ076672	GSNERYW 	C40H54N12O13	910.3934	NA	PeJP	NA	NA
+PJ076673	SCQMMRR 	C33H62N14O10S3	910.3936	NA	PeJP	NA	NA
+PJ076674	GLMMHHW 	C41H58N12O8S2	910.3942	NA	PeJP	NA	NA
+PJ076675	GTHHHHW 	C41H50N16O9	910.3947	NA	PeJP	NA	NA
+PJ076676	STTTLEEM 	C36H62N8O17S	910.3954	NA	PeJP	NA	NA
+PJ076677	LKEEMMM 	C37H66N8O12S3	910.3963	NA	PeJP	NA	NA
+PJ076678	GSSSTMRW 	C37H58N12O13S	910.3967	NA	PeJP	NA	NA
+PJ076679	GGGAAEMRY 	C37H58N12O13S	910.3968	NA	PeJP	NA	NA
+PJ076680	NDKYWW 	C45H54N10O11	910.3974	NA	PeJP	NA	NA
+PJ076681	GCKMMRW 	C38H62N12O8S3	910.3976	NA	PeJP	NA	NA
+PJ076682	VNMHHHH 	C38H54N16O9S	910.3981	NA	PeJP	NA	NA
+PJ076683	GSSSSTTER 	C33H58N12O18	910.3992	NA	PeJP	NA	NA
+PJ076684	GSSDKMMR 	C34H62N12O13S2	910.4001	NA	PeJP	NA	NA
+PJ076685	SSSSNHHR 	C34H54N16O14	910.4006	NA	PeJP	NA	NA
+PJ076686	SSSKMWW 	C42H58N10O11S	910.4007	NA	PeJP	NA	NA
+PJ076687	GVQQMYW 	C42H58N10O11S	910.4008	NA	PeJP	NA	NA
+PJ076688	PPYYWW 	C50H54N8O9	910.4014	NA	PeJP	NA	NA
+PJ076689	CCQKHHR 	C35H58N16O9S2	910.4015	NA	PeJP	NA	NA
+PJ076690	SSSSTKEW 	C38H58N10O16	910.4032	NA	PeJP	NA	NA
+PJ076691	SSSTTDKW 	C38H58N10O16	910.4033	NA	PeJP	NA	NA
+PJ076692	STQKMMW 	C39H62N10O11S2	910.4041	NA	PeJP	NA	NA
+PJ076693	GGGGAALMMF 	C39H62N10O11S2	910.4042	NA	PeJP	NA	NA
+PJ076694	SPNDHRW 	C39H54N14O12	910.4046	NA	PeJP	NA	NA
+PJ076695	LEMFWW 	C47H58N8O9S	910.4048	NA	PeJP	NA	NA
+PJ076696	SSSDKKEM 	C35H62N10O16S	910.4066	NA	PeJP	NA	NA
+PJ076697	ATLEEYW 	C43H58N8O14	910.4073	NA	PeJP	NA	NA
+PJ076698	TLEMMMR 	C36H66N10O11S3	910.4075	NA	PeJP	NA	NA
+PJ076699	GNDMRRY 	C36H58N14O12S	910.408	NA	PeJP	NA	NA
+PJ076700	APLMMYW 	C44H62N8O9S2	910.4082	NA	PeJP	NA	NA
+PJ076701	SNRYWW 	C44H54N12O10	910.4086	NA	PeJP	NA	NA
+PJ076702	GMHHHHR 	C37H54N18O8S	910.4093	NA	PeJP	NA	NA
+PJ076703	PPTTTTMY 	C40H62N8O14S	910.4106	NA	PeJP	NA	NA
+PJ076704	VLQEEMY 	C40H62N8O14S	910.4107	NA	PeJP	NA	NA
+PJ076705	GSSSMMRR 	C33H62N14O12S2	910.4113	NA	PeJP	NA	NA
+PJ076706	SLLMMMW 	C41H66N8O9S3	910.4115	NA	PeJP	NA	NA
+PJ076707	QQMRYW 	C41H58N12O10S	910.412	NA	PeJP	NA	NA
+PJ076708	QHFFFW 	C49H54N10O8	910.4126	NA	PeJP	NA	NA
+PJ076709	GAHFFFW 	C49H54N10O8	910.4127	NA	PeJP	NA	NA
+PJ076710	SSTLLEMM 	C37H66N8O14S2	910.414	NA	PeJP	NA	NA
+PJ076711	SSSSTTRW 	C37H58N12O15	910.4145	NA	PeJP	NA	NA
+PJ076712	AALLMMMM 	C38H70N8O9S4	910.4149	NA	PeJP	NA	NA
+PJ076713	STCKMRW 	C38H62N12O10S2	910.4154	NA	PeJP	NA	NA
+PJ076714	GNNQHRW 	C38H54N16O11	910.4158	NA	PeJP	NA	NA
+PJ076715	GGGGGQHRW 	C38H54N16O11	910.4159	NA	PeJP	NA	NA
+PJ076716	NKMFWW 	C46H58N10O8S	910.416	NA	PeJP	NA	NA
+PJ076717	SSSSKEMR 	C34H62N12O15S	910.4179	NA	PeJP	NA	NA
+PJ076718	GTQKEYW 	C42H58N10O13	910.4185	NA	PeJP	NA	NA
+PJ076719	SQKMMMR 	C35H66N12O10S3	910.4187	NA	PeJP	NA	NA
+PJ076720	GGGCCKKKM 	C35H66N12O10S3	910.4188	NA	PeJP	NA	NA
+PJ076721	PCNEHRR 	C35H58N16O11S	910.4192	NA	PeJP	NA	NA
+PJ076722	PCCKKFW 	C43H62N10O8S2	910.4194	NA	PeJP	NA	NA
+PJ076723	EHHFRW 	C43H54N14O9	910.4199	NA	PeJP	NA	NA
+PJ076724	GSTTTKMW 	C39H62N10O13S	910.4219	NA	PeJP	NA	NA
+PJ076725	SPPVYYW 	C47H58N8O11	910.4225	NA	PeJP	NA	NA
+PJ076726	GAPPEFFF 	C47H58N8O11	910.4226	NA	PeJP	NA	NA
+PJ076727	GKKMMMW 	C40H66N10O8S3	910.4228	NA	PeJP	NA	NA
+PJ076728	CQRRYW 	C40H58N14O9S	910.4232	NA	PeJP	NA	NA
+PJ076729	VHHFWW 	C48H54N12O7	910.4239	NA	PeJP	NA	NA
+PJ076730	SSSSSSLKE 	C35H62N10O18	910.4244	NA	PeJP	NA	NA
+PJ076731	ATTTQKMM 	C36H66N10O13S2	910.4252	NA	PeJP	NA	NA
+PJ076732	GSTKKEMM 	C36H66N10O13S2	910.4253	NA	PeJP	NA	NA
+PJ076733	SSNERRY 	C36H58N14O14	910.4257	NA	PeJP	NA	NA
+PJ076734	GGGVVDDHR 	C36H58N14O14	910.4258	NA	PeJP	NA	NA
+PJ076735	GLLEMYW 	C44H62N8O11S	910.4259	NA	PeJP	NA	NA
+PJ076736	VLMMMMR 	C37H70N10O8S4	910.4261	NA	PeJP	NA	NA
+PJ076737	GNMMFRR 	C37H62N14O9S2	910.4266	NA	PeJP	NA	NA
+PJ076738	STHHHHR 	C37H54N18O10	910.4271	NA	PeJP	NA	NA
+PJ076739	TLKEEEY 	C40H62N8O16	910.4284	NA	PeJP	NA	NA
+PJ076740	SSSSTMRR 	C33H62N14O14S	910.4291	NA	PeJP	NA	NA
+PJ076741	PLKEMMY 	C41H66N8O11S2	910.4293	NA	PeJP	NA	NA
+PJ076742	GTTQRYW 	C41H58N12O12	910.4297	NA	PeJP	NA	NA
+PJ076743	GSDKRYW 	C41H58N12O12	910.4298	NA	PeJP	NA	NA
+PJ076744	SCKMMRR 	C34H66N14O9S3	910.43	NA	PeJP	NA	NA
+PJ076745	ATTILMMM 	C38H70N8O11S3	910.4326	NA	PeJP	NA	NA
+PJ076746	ATTLLMMM 	C38H70N8O11S3	910.4327	NA	PeJP	NA	NA
+PJ076747	GQKEMRY 	C38H62N12O12S	910.4331	NA	PeJP	NA	NA
+PJ076748	GGGGGGPPPKM 	C38H62N12O12S	910.4332	NA	PeJP	NA	NA
+PJ076749	TQKYWW 	C46H58N10O10	910.4338	NA	PeJP	NA	NA
+PJ076750	GPCHRRW 	C39H58N16O8S	910.4345	NA	PeJP	NA	NA
+PJ076751	SSSSSSTLR 	C34H62N12O17	910.4356	NA	PeJP	NA	NA
+PJ076752	GSTTKMMR 	C35H66N12O12S2	910.4365	NA	PeJP	NA	NA
+PJ076753	GQEEHRR 	C35H58N16O13	910.437	NA	PeJP	NA	NA
+PJ076754	GVQKMYW 	C43H62N10O10S	910.4371	NA	PeJP	NA	NA
+PJ076755	GGGLKMYW 	C43H62N10O10S	910.4372	NA	PeJP	NA	NA
+PJ076756	PLFYWW 	C51H58N8O8	910.4378	NA	PeJP	NA	NA
+PJ076757	SSTTTTKW 	C39H62N10O15	910.4396	NA	PeJP	NA	NA
+PJ076758	GGTKKEEY 	C39H62N10O15	910.4397	NA	PeJP	NA	NA
+PJ076759	STKKMMW 	C40H66N10O10S2	910.4405	NA	PeJP	NA	NA
+PJ076760	GSSRRYW 	C40H58N14O11	910.441	NA	PeJP	NA	NA
+PJ076761	LLMYWW 	C48H62N8O8S	910.4412	NA	PeJP	NA	NA
+PJ076762	SSTTKKEM 	C36H66N10O15S	910.443	NA	PeJP	NA	NA
+PJ076763	STLLEYW 	C44H62N8O13	910.4437	NA	PeJP	NA	NA
+PJ076764	DKKKMMM 	C37H70N10O10S3	910.4439	NA	PeJP	NA	NA
+PJ076765	SVCQRRY 	C37H62N14O11S	910.4443	NA	PeJP	NA	NA
+PJ076766	GTQMRRY 	C37H62N14O11S	910.4444	NA	PeJP	NA	NA
+PJ076767	ALLMMFW 	C45H66N8O8S2	910.4445	NA	PeJP	NA	NA
+PJ076768	GPTKHWW 	C45H58N12O9	910.445	NA	PeJP	NA	NA
+PJ076769	VLKEEMY 	C41H66N8O13S	910.447	NA	PeJP	NA	NA
+PJ076770	PPPVLEEM 	C41H66N8O13S	910.4471	NA	PeJP	NA	NA
+PJ076771	GDDHRRR 	C34H58N18O12	910.4482	NA	PeJP	NA	NA
+PJ076772	QKMRYW 	C42H62N12O9S	910.4484	NA	PeJP	NA	NA
+PJ076773	KHFFFW 	C50H58N10O7	910.449	NA	PeJP	NA	NA
+PJ076774	TTTTLLMM 	C38H70N8O13S2	910.4504	NA	PeJP	NA	NA
+PJ076775	STQKERY 	C38H62N12O14	910.4509	NA	PeJP	NA	NA
+PJ076776	AQKMMFR 	C39H66N12O9S2	910.4517	NA	PeJP	NA	NA
+PJ076777	GAAKMMFR 	C39H66N12O9S2	910.4518	NA	PeJP	NA	NA
+PJ076778	QEHRRW 	C39H58N16O10	910.4522	NA	PeJP	NA	NA
+PJ076779	SSTTTKMR 	C35H66N12O14S	910.4542	NA	PeJP	NA	NA
+PJ076780	GTKKEYW 	C43H62N10O12	910.4549	NA	PeJP	NA	NA
+PJ076781	SKKMMMR 	C36H70N12O9S3	910.4551	NA	PeJP	NA	NA
+PJ076782	GTCRRRY 	C36H62N16O10S	910.4556	NA	PeJP	NA	NA
+PJ076783	VQHRWW 	C44H58N14O8	910.4562	NA	PeJP	NA	NA
+MJ097475	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C46H70O18	910.456215	NA	MeJP	NA	NA
+MJ097476	Cynajapogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-L-cymaropyranoside] 	C46H70O18	910.456215	NA	MeJP	NA	NA
+MJ097477	Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-?-D-glucopyranosyl ester 	C46H70O18	910.456215	NA	MeJP	NA	NA
+MJ097478	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-4-O-acetyl-?-L-arabinopyranoside] 	C46H70O18	910.456215	NA	MeJP	NA	NA
+PJ076784	GGLHRWW 	C44H58N14O8	910.4563	NA	PeJP	NA	NA
+MJ097479	Mycalolide A; 30R-Alcohol 	C47H66N4O14	910.457552	NA	MeJP	NA	NA
+PJ076785	SLLEMRY 	C40H66N10O12S	910.4583	NA	PeJP	NA	NA
+PJ076786	GPLLYYW 	C48H62N8O10	910.4589	NA	PeJP	NA	NA
+PJ076787	CKRRYW 	C41H62N14O8S	910.4596	NA	PeJP	NA	NA
+PJ076788	SSSSTTTLK 	C36H66N10O17	910.4608	NA	PeJP	NA	NA
+PJ076789	SSSLKKMM 	C37H70N10O12S2	910.4616	NA	PeJP	NA	NA
+PJ076790	SSDKRRY 	C37H62N14O13	910.4621	NA	PeJP	NA	NA
+PJ076791	SVLLMYW 	C45H66N8O10S	910.4623	NA	PeJP	NA	NA
+PJ076792	ACKMFRR 	C38H66N14O8S2	910.463	NA	PeJP	NA	NA
+PJ076793	SSSLLLEY 	C41H66N8O15	910.4648	NA	PeJP	NA	NA
+PJ076794	LLLQMMY 	C42H70N8O10S2	910.4657	NA	PeJP	NA	NA
+PJ076795	GTTKRYW 	C42H62N12O11	910.4661	NA	PeJP	NA	NA
+PJ076796	GGPPLERW 	C42H62N12O11	910.4662	NA	PeJP	NA	NA
+PJ076797	SPCHRRR 	C35H62N18O9S	910.4668	NA	PeJP	NA	NA
+PJ076798	AHRRWW 	C43H58N16O7	910.4675	NA	PeJP	NA	NA
+PJ076799	GKKEMRY 	C39H66N12O11S	910.4695	NA	PeJP	NA	NA
+PJ076800	TKKYWW 	C47H62N10O9	910.4702	NA	PeJP	NA	NA
+MJ097480	Brevetoxin B; 27,28-Dihydro, 27S,28R-epoxide 	C50H70O15	910.471471	NA	MeJP	NA	NA
+PJ076801	SSCCKKKK 	C36H70N12O11S2	910.4729	NA	PeJP	NA	NA
+PJ076802	SSSRRRY 	C36H62N16O12	910.4733	NA	PeJP	NA	NA
+PJ076803	PPDDRRR 	C36H62N16O12	910.4734	NA	PeJP	NA	NA
+PJ076804	GVKKMYW 	C44H66N10O9S	910.4735	NA	PeJP	NA	NA
+PJ076805	LLFFWW 	C52H62N8O7	910.4742	NA	PeJP	NA	NA
+PJ076806	SKKKEEY 	C40H66N10O14	910.476	NA	PeJP	NA	NA
+PJ076807	GAAPPLKEE 	C40H66N10O14	910.4761	NA	PeJP	NA	NA
+PJ076808	VVLMMRY 	C41H70N10O9S2	910.4769	NA	PeJP	NA	NA
+MJ097481	Calonyctin A2 	C43H74O20	910.477344	NA	MeJP	NA	NA
+PJ076809	APPERRW 	C41H62N14O10	910.4774	NA	PeJP	NA	NA
+PJ076810	TTTTTKKM 	C37H70N10O14S	910.4794	NA	PeJP	NA	NA
+PJ076811	VLLQEFY 	C45H66N8O12	910.48	NA	PeJP	NA	NA
+PJ076812	PVLKEYY 	C45H66N8O12	910.4801	NA	PeJP	NA	NA
+PJ076813	GTKMRRY 	C38H66N14O10S	910.4807	NA	PeJP	NA	NA
+PJ076814	GPPPTMRR 	C38H66N14O10S	910.4808	NA	PeJP	NA	NA
+PJ076815	GPPLRWW 	C46H62N12O8	910.4814	NA	PeJP	NA	NA
+PJ076816	GTTLLLMY 	C42H70N8O12S	910.4834	NA	PeJP	NA	NA
+PJ076817	GTEHRRR 	C35H62N18O11	910.4846	NA	PeJP	NA	NA
+PJ076818	KKMRYW 	C43H66N12O8S	910.4848	NA	PeJP	NA	NA
+PJ076819	STKKERY 	C39H66N12O13	910.4873	NA	PeJP	NA	NA
+PJ076820	AKKMMFR 	C40H70N12O8S2	910.4881	NA	PeJP	NA	NA
+PJ076821	KEHRRW 	C40H62N16O9	910.4886	NA	PeJP	NA	NA
+PJ076822	SSLKKYW 	C44H66N10O11	910.4913	NA	PeJP	NA	NA
+PJ076823	SPKMHRR 	C37H66N16O9S	910.492	NA	PeJP	NA	NA
+MJ097482	11,12-Epoxy-3,13-dihydroxy-28-oleananoic acid, 28?13 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097483	12-Oleanene-3,16,22,23,28-pentol, 22-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097484	12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097485	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2,3,4-Tri-O-acetyl-?-D-xylopyranoside), 6-O-?-D-glucopyranoside 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097486	27(13?18)-Abeo-3-hydroxy-26-nor-13-taraxeren-28-oic acid, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097487	27(13?18)-Abeo-3-hydroxy-26-nor-14-taraxeren-28-oic acid, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097488	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-xylopyranosyl-(1?2)-?-D-fucopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097489	3,21-Dihydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097490	3,22-Dihydroxy-12-oleanen-25-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097491	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Tigloyl, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097492	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097493	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097494	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097495	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097496	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?4)]-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+MJ097497	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C47H74O17	910.4926	NA	MeJP	NA	NA
+PJ076824	VKHRWW 	C45H62N14O7	910.4926	NA	PeJP	NA	NA
+PJ076825	VDKKKMY 	C41H70N10O11S	910.4947	NA	PeJP	NA	NA
+PJ076826	GLLLFYW 	C49H66N8O9	910.4953	NA	PeJP	NA	NA
+PJ076827	STTKRRY 	C38H66N14O12	910.4985	NA	PeJP	NA	NA
+PJ076828	PLLKMFY 	C46H70N8O9S	910.4987	NA	PeJP	NA	NA
+PJ076829	THRRRW 	C39H62N18O8	910.4998	NA	PeJP	NA	NA
+PJ076830	STTTLLLY 	C42H70N8O14	910.5012	NA	PeJP	NA	NA
+PJ076831	LLLKMMY 	C43H74N8O9S2	910.5021	NA	PeJP	NA	NA
+MJ097498	Schistostatin 5 	C43H66N12O10	910.502486	NA	MeJP	NA	NA
+PJ076832	PPVKERW 	C43H66N12O10	910.5025	NA	PeJP	NA	NA
+PJ076833	GVMHRRR 	C36H66N18O8S	910.5032	NA	PeJP	NA	NA
+PJ076834	SVKKMRY 	C40H70N12O10S	910.5059	NA	PeJP	NA	NA
+PJ076835	PPVVKWW 	C48H66N10O8	910.5066	NA	PeJP	NA	NA
+PJ076836	PPTERRR 	C37H66N16O11	910.5097	NA	PeJP	NA	NA
+PJ076837	GGGAPLQRR 	C37H66N16O11	910.5098	NA	PeJP	NA	NA
+PJ076838	VLLLMHW 	C45H70N10O8S	910.5099	NA	PeJP	NA	NA
+PJ076839	GTTTLKKY 	C41H70N10O13	910.5124	NA	PeJP	NA	NA
+PJ076840	VKKKMMF 	C42H74N10O8S2	910.5133	NA	PeJP	NA	NA
+PJ076841	SPPLRRW 	C42H66N14O9	910.5138	NA	PeJP	NA	NA
+PJ076842	MHRRRR 	C35H66N20O7S	910.5145	NA	PeJP	NA	NA
+PJ076843	VLLLQYY 	C46H70N8O11	910.5164	NA	PeJP	NA	NA
+PJ076844	PPPVLLEF 	C46H70N8O11	910.5165	NA	PeJP	NA	NA
+PJ076845	AAPPLMRR 	C39H70N14O9S	910.5171	NA	PeJP	NA	NA
+PJ076846	KKFFRW 	C47H66N12O7	910.5178	NA	PeJP	NA	NA
+PJ076847	PPVLLLEM 	C43H74N8O11S	910.5198	NA	PeJP	NA	NA
+PJ076848	SSLHRRR 	C36H66N18O10	910.521	NA	PeJP	NA	NA
+PJ076849	SPPTLLQR 	C40H70N12O12	910.5236	NA	PeJP	NA	NA
+PJ076850	APPTLKER 	C40H70N12O12	910.5237	NA	PeJP	NA	NA
+PJ076851	APKHFRR 	C41H66N16O8	910.525	NA	PeJP	NA	NA
+PJ076852	GPPTLLKW 	C45H70N10O10	910.5277	NA	PeJP	NA	NA
+PJ076853	PPVMRRR 	C38H70N16O8S	910.5284	NA	PeJP	NA	NA
+MJ097499	11,13(18)-Oleanadiene-3,16,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C48H78O16	910.528986	NA	MeJP	NA	NA
+MJ097500	13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-fucopyranoside] 	C48H78O16	910.528986	NA	MeJP	NA	NA
+MJ097501	Xestovanin A; 20-O-?-L-Rhamnopyranoside 	C48H78O16	910.528986	NA	MeJP	NA	NA
+MJ097502	Xestovanin A; 4''-O-?-L-Rhamnopyranoside 	C48H78O16	910.528986	NA	MeJP	NA	NA
+PJ076854	TLKKKMY 	C42H74N10O10S	910.531	NA	PeJP	NA	NA
+PJ076855	ATLLLLMH 	C42H74N10O10S	910.5311	NA	PeJP	NA	NA
+PJ076856	PLLKFFF 	C50H70N8O8	910.5317	NA	PeJP	NA	NA
+PJ076857	GPNRRRR 	C35H66N20O9	910.5322	NA	PeJP	NA	NA
+MJ097503	Cephalostatin 16 	C54H74N2O10	910.534346	NA	MeJP	NA	NA
+MJ097504	Cephalostatin 2; 26-Deoxy 	C54H74N2O10	910.534346	NA	MeJP	NA	NA
+MJ097505	Cephalostatin 2; 9'-Deoxy 	C54H74N2O10	910.534346	NA	MeJP	NA	NA
+PJ076858	PLLQERR 	C39H70N14O11	910.5349	NA	PeJP	NA	NA
+PJ076859	LLLKMFF 	C47H74N8O8S	910.5351	NA	PeJP	NA	NA
+PJ076860	PVVLLLEE 	C43H74N8O13	910.5376	NA	PeJP	NA	NA
+PJ076861	PVLLQRW 	C44H70N12O9	910.5389	NA	PeJP	NA	NA
+PJ076862	GPPLLKMR 	C41H74N12O9S	910.5423	NA	PeJP	NA	NA
+C11242	Bacterio-chlorophyll a	C55H74MgN4O6	910.5459	NA	KEGG	NA	NA
+PJ076863	PVVERRR 	C38H70N16O10	910.5461	NA	PeJP	NA	NA
+PJ076864	TTTLLLLH 	C42H74N10O12	910.5488	NA	PeJP	NA	NA
+PJ076865	APLLRRW 	C43H70N14O8	910.5502	NA	PeJP	NA	NA
+PJ076866	VLLLKYY 	C47H74N8O10	910.5528	NA	PeJP	NA	NA
+PJ076867	VLKKMHR 	C40H74N14O8S	910.5535	NA	PeJP	NA	NA
+HMDB09821	PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09861	PI(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09865	PI(18:3(9Z,12Z,15Z)/22:3(10Z,13Z,16Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09884	PI(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09885	PI(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09891	PI(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09892	PI(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09910	PI(22:3(10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09911	PI(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+HMDB09920	PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	C49H83O13P	910.557129	NA	HMDB2010	NA	NA
+PJ076868	APQKRRR 	C37H70N18O9	910.5574	NA	PeJP	NA	NA
+PJ076869	SPPTLLKR 	C41H74N12O11	910.56	NA	PeJP	NA	NA
+PJ076870	GPVLLKER 	C41H74N12O11	910.5601	NA	PeJP	NA	NA
+PJ076871	AAPLLLKW 	C46H74N10O9	910.5641	NA	PeJP	NA	NA
+PJ076872	PPVVLKKM 	C43H78N10O9S	910.5674	NA	PeJP	NA	NA
+MJ097506	Ritterazine Z 	C55H78N2O9	910.570732	NA	MeJP	NA	NA
+PJ076873	PLLKERR 	C40H74N14O10	910.5713	NA	PeJP	NA	NA
+PJ076874	PTLLLLLE 	C44H78N8O12	910.574	NA	PeJP	NA	NA
+PJ076875	PVLLKRW 	C45H74N12O8	910.5753	NA	PeJP	NA	NA
+MJ097507	Chimeramycin A 	C48H82N2O14	910.576605	NA	MeJP	NA	NA
+PJ076876	PTLLRRR 	C39H74N16O9	910.5825	NA	PeJP	NA	NA
+MJ097508	Antibiotic LI-F; Antibiotic LI-F05B 	C43H78N10O11	910.585153	NA	MeJP	NA	NA
+MJ097509	Antibiotic LI-F; Antibiotic LI-F06B 	C43H78N10O11	910.585153	NA	MeJP	NA	NA
+MJ097510	Antibiotic LI-F; Antibiotic LI-F08A 	C43H78N10O11	910.585153	NA	MeJP	NA	NA
+PJ076877	APLLLKKE 	C43H78N10O11	910.5852	NA	PeJP	NA	NA
+PJ076878	PPVLLLLF 	C48H78N8O9	910.5892	NA	PeJP	NA	NA
+PJ076879	PVLLLLLM 	C45H82N8O9S	910.5926	NA	PeJP	NA	NA
+PJ076880	APKKRRR 	C38H74N18O8	910.5937	NA	PeJP	NA	NA
+PJ076881	APTLLLKR 	C42H78N12O10	910.5964	NA	PeJP	NA	NA
+PJ076882	LLLLQRR 	C41H78N14O9	910.6077	NA	PeJP	NA	NA
+PJ076883	VVLLLLLE 	C45H82N8O11	910.6104	NA	PeJP	NA	NA
+PJ076884	VVLLRRR 	C40H78N16O8	910.6189	NA	PeJP	NA	NA
+PJ076885	SPLLLLKK 	C44H82N10O10	910.6216	NA	PeJP	NA	NA
+PJ076886	GVLLLLKR 	C43H82N12O9	910.6328	NA	PeJP	NA	NA
+PJ076887	LLLLKRR 	C42H82N14O8	910.644	NA	PeJP	NA	NA
+PJ076888	TLLLLLLL 	C46H86N8O10	910.6467	NA	PeJP	NA	NA
+PJ076889	ALLLLLKK 	C45H86N10O9	910.658	NA	PeJP	NA	NA
+C15954	Thermocryptoxanthin-13	C59H90O7	910.6687	NA	KEGG	NA	NA
+MJ097511	1,2-Diphytanylglycerol 3-phosphoinositol; D-myo-inositol-form, 3-Hydroxy 	C49H99O12P	910.687415	NA	MeJP	NA	NA
+HMDB05373	TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H106O6	910.79895	http://www.hmdb.ca/metabolites/HMDB05373	HMDB	NA	NA
+HMDB05398	TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H106O6	910.79895	http://www.hmdb.ca/metabolites/HMDB05398	HMDB	NA	NA
+HMDB05460	TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	C59H106O6	910.79895	http://www.hmdb.ca/metabolites/HMDB05460	HMDB	NA	NA
+HMDB05472	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3]	C59H106O6	910.79895	http://www.hmdb.ca/metabolites/HMDB05472	HMDB	NA	NA
+HMDB05373	TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H106O6	910.79895	HMDB05373	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05398	TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H106O6	910.79895	HMDB05398	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05460	TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	C59H106O6	910.79895	HMDB05460	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05472	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3]	C59H106O6	910.79895	HMDB05472	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05373	TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C59H106O6	910.79895	NA	HMDB2010	NA	NA
+HMDB05398	TG(18:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C59H106O6	910.79895	NA	HMDB2010	NA	NA
+HMDB05460	TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]	C59H106O6	910.79895	NA	HMDB2010	NA	NA
+HMDB05472	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)[iso3]	C59H106O6	910.79895	NA	HMDB2010	NA	NA
+HMDB10461	TG(18:1(9Z)/18:1(9Z)/20:2(11Z,14Z))[iso3]	C59H106O6	910.79895	NA	HMDB2010	NA	NA
+PJ076890	GCCCCCCCD 	C27H45N9O12S7	911.1233	NA	PeJP	NA	NA
+MJ097512	(S)-3-Hydroxy-3-methylglutaryl-CoA 	C27H44N7O20P3S	911.157467	NA	MeJP	NA	NA
+MetaCyc04293	3-hydroxyadipyl-CoA []	C27H44N7O20P3S1	911.157467	NA	metacyc	NA	NA
+MetaCyc04294	3-hydroxy-3-methyl-glutaryl-CoA [(S)-3-hydroxy-3-methylglutaryl-CoA;HMG-CoA;hydroxymethylglutaryl-CoA;3-hydroxy-3-methylglutaryl-coenzyme A;3-Hydroxy-3-methylglutaryl-CoA;]	C27H44N7O20P3S1	911.157467	1553-55-5	metacyc	NA	NA
+HMDB01375	3-Hydroxy-3-methylglutaryl-CoA	C27H44N7O20P3S	911.15747	http://www.hmdb.ca/metabolites/HMDB01375	HMDB	NA	NA
+HMDB01375	3-Hydroxy-3-methylglutaryl-CoA	C27H44N7O20P3S	911.15747	HMDB01375	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01375	3-Hydroxy-3-methylglutaryl-CoA	C27H44N7O20P3S	911.157471	NA	HMDB2010	NA	NA
+C00356	(S)-3-Hydroxy-3-methylglutaryl-CoA	C27H44N7O20P3S	911.1575	NA	KEGG	NA	NA
+C14145	(3S)-3-Hydroxyadipyl-CoA	C27H44N7O20P3S	911.1575	NA	KEGG	NA	NA
+PJ076891	GSCCCCCCM 	C28H49N9O11S7	911.1597	NA	PeJP	NA	NA
+PJ076892	SSTCCCCCC 	C28H49N9O13S6	911.1774	NA	PeJP	NA	NA
+PJ076893	CCCCCCQF 	C32H49N9O10S6	911.1927	NA	PeJP	NA	NA
+PJ076894	CCCCNDDH 	C30H45N11O14S4	911.2031	NA	PeJP	NA	NA
+PJ076895	SCCCCCQY 	C32H49N9O12S5	911.2105	NA	PeJP	NA	NA
+MetaCyc04295	L-carnitinyl-CoA [L-carnityl-CoA;]	C28H50N8O18P3S1	911.217662	NA	metacyc	NA	NA
+MetaCyc04296	D-carnitinyl-CoA []	C28H50N8O18P3S1	911.217662	NA	metacyc	NA	NA
+PJ076896	GSPCCCCCH 	C31H49N11O11S5	911.2217	NA	PeJP	NA	NA
+PJ076897	GSSSCCCCY 	C32H49N9O14S4	911.2282	NA	PeJP	NA	NA
+PJ076898	CCCCCCKF 	C33H53N9O9S6	911.2291	NA	PeJP	NA	NA
+PJ076899	CCNNNDDD 	C30H45N11O18S2	911.2386	NA	PeJP	NA	NA
+PJ076900	SCCCNDMH 	C31H49N11O13S4	911.2395	NA	PeJP	NA	NA
+PJ076901	GCCCCNFY 	C36H49N9O11S4	911.2435	NA	PeJP	NA	NA
+PJ076902	SCNDDDDE 	C31H45N9O21S	911.2451	NA	PeJP	NA	NA
+PJ076903	PCCNDDDM 	C32H49N9O16S3	911.246	NA	PeJP	NA	NA
+PJ076904	SCCCCCKY 	C33H53N9O11S5	911.2468	NA	PeJP	NA	NA
+PJ076905	CCDDMYY 	C37H49N7O14S3	911.25	NA	PeJP	NA	NA
+PJ076906	CCMMMMY 	C35H57N7O9S6	911.2542	NA	PeJP	NA	NA
+PJ076907	GTCCCCHW 	C35H49N11O10S4	911.2547	NA	PeJP	NA	NA
+PJ076908	GSSSCCCEH 	C31H49N11O15S3	911.2572	NA	PeJP	NA	NA
+PJ076909	GCCCQMMH 	C32H53N11O10S5	911.2581	NA	PeJP	NA	NA
+PJ076910	GSCDDDDW 	C35H45N9O18S	911.2604	NA	PeJP	NA	NA
+PJ076911	GPCCCDEW 	C36H49N9O13S3	911.2612	NA	PeJP	NA	NA
+PJ076912	GSSSDDDDD 	C31H45N9O23	911.2629	NA	PeJP	NA	NA
+PJ076913	GNDDDDMM 	C32H49N9O18S2	911.2637	NA	PeJP	NA	NA
+PJ076914	GGGDDDDMM 	C32H49N9O18S2	911.2638	NA	PeJP	NA	NA
+PJ076915	GSPPCCCDM 	C33H53N9O13S4	911.2646	NA	PeJP	NA	NA
+MJ097513	Blumeanine 	C38H48N4O22(+)	911.268194	NA	MeJP	NA	NA
+PJ076916	CCCNNNNQ 	C30H49N13O14S3	911.2684	NA	PeJP	NA	NA
+PJ076917	GGGGCCCNNQ 	C30H49N13O14S3	911.2685	NA	PeJP	NA	NA
+PJ076918	CCDMMFY 	C38H53N7O11S4	911.2686	NA	PeJP	NA	NA
+PJ076919	GCCCCMHR 	C31H53N13O9S5	911.2693	NA	PeJP	NA	NA
+PJ076920	SSSCCCHW 	C35H49N11O12S3	911.2725	NA	PeJP	NA	NA
+PJ076921	GCCDDDER 	C31H49N11O17S2	911.275	NA	PeJP	NA	NA
+PJ076922	SSCCNMMH 	C32H53N11O12S4	911.2758	NA	PeJP	NA	NA
+PJ076923	GGGGPCCCQM 	C32H53N11O12S4	911.2759	NA	PeJP	NA	NA
+PJ076924	PCCCDWW 	C40H49N9O10S3	911.2765	NA	PeJP	NA	NA
+PJ076925	GNDDDDDF 	C35H45N9O20	911.2781	NA	PeJP	NA	NA
+PJ076926	CNDDEMW 	C36H49N9O15S2	911.279	NA	PeJP	NA	NA
+PJ076927	PPTCCCCW 	C37H53N9O10S4	911.2799	NA	PeJP	NA	NA
+PJ076928	SSNDDDEM 	C32H49N9O20S	911.2815	NA	PeJP	NA	NA
+PJ076929	SPCNDDMM 	C33H53N9O15S3	911.2824	NA	PeJP	NA	NA
+PJ076930	GCNDDDHH 	C33H45N13O16S	911.2828	NA	PeJP	NA	NA
+PJ076931	GGGCDDDHH 	C33H45N13O16S	911.2829	NA	PeJP	NA	NA
+PJ076932	CCDDFFY 	C41H49N7O13S2	911.283	NA	PeJP	NA	NA
+PJ076933	CEMMMMH 	C34H57N9O10S5	911.2832	NA	PeJP	NA	NA
+PJ076934	GSSCCNNNN 	C30H49N13O16S2	911.2862	NA	PeJP	NA	NA
+PJ076935	SCDMMYY 	C38H53N7O13S3	911.2864	NA	PeJP	NA	NA
+PJ076936	STCCCCHR 	C31H53N13O11S4	911.2871	NA	PeJP	NA	NA
+PJ076937	CCMMMFF 	C39H57N7O8S5	911.2873	NA	PeJP	NA	NA
+PJ076938	CCCNHFW 	C39H49N11O9S3	911.2877	NA	PeJP	NA	NA
+PJ076939	DEEEEMM 	C34H53N7O18S2	911.2889	NA	PeJP	NA	NA
+PJ076940	CCDDDRW 	C35H49N11O14S2	911.2902	NA	PeJP	NA	NA
+PJ076941	SSCDDDDR 	C31H49N11O19S	911.2927	NA	PeJP	NA	NA
+PJ076942	SPCCCDER 	C32H53N11O14S3	911.2936	NA	PeJP	NA	NA
+PJ076943	ACCDEWW 	C40H49N9O12S2	911.2942	NA	PeJP	NA	NA
+PJ076944	GCDDMWW 	C40H49N9O12S2	911.2943	NA	PeJP	NA	NA
+PJ076945	PPCCCCMR 	C33H57N11O9S5	911.2945	NA	PeJP	NA	NA
+PJ076946	ASSCDDEW 	C36H49N9O17S	911.2967	NA	PeJP	NA	NA
+PJ076947	GSSDDDMW 	C36H49N9O17S	911.2968	NA	PeJP	NA	NA
+PJ076948	GSPCCEMW 	C37H53N9O12S3	911.2976	NA	PeJP	NA	NA
+PJ076949	ASSSSDDDE 	C32H49N9O22	911.2992	NA	PeJP	NA	NA
+PJ076950	GSSSSDDEE 	C32H49N9O22	911.2993	NA	PeJP	NA	NA
+PJ076951	GSNDEEMM 	C33H53N9O17S2	911.3001	NA	PeJP	NA	NA
+PJ076952	GCDEYYY 	C41H49N7O15S	911.3008	NA	PeJP	NA	NA
+PJ076953	GPCNEMMM 	C34H57N9O12S4	911.301	NA	PeJP	NA	NA
+PJ076954	SPCCNDHH 	C34H49N13O13S2	911.3015	NA	PeJP	NA	NA
+PJ076955	CCDMFFF 	C42H53N7O10S3	911.3016	NA	PeJP	NA	NA
+PJ076956	DDEEEEF 	C37H49N7O20	911.3033	NA	PeJP	NA	NA
+PJ076957	GCCNNDMR 	C31H53N13O13S3	911.3048	NA	PeJP	NA	NA
+PJ076958	GGGGGCCDMR 	C31H53N13O13S3	911.3049	NA	PeJP	NA	NA
+PJ076959	ACMMMYY 	C39H57N7O10S4	911.305	NA	PeJP	NA	NA
+PJ076960	SCCNNWW 	C39H49N11O11S2	911.3055	NA	PeJP	NA	NA
+PJ076961	SSSCNNDW 	C35H49N11O16S	911.308	NA	PeJP	NA	NA
+PJ076962	CNNNMMW 	C36H53N11O11S3	911.3088	NA	PeJP	NA	NA
+PJ076963	GGCNNMMW 	C36H53N11O11S3	911.3089	NA	PeJP	NA	NA
+PJ076964	CCEWWW 	C44H49N9O9S2	911.3095	NA	PeJP	NA	NA
+PJ076965	SSSSSNNDD 	C31H49N11O21	911.3105	NA	PeJP	NA	NA
+PJ076966	SSSSSSCMH 	C32H53N11O16S2	911.3113	NA	PeJP	NA	NA
+PJ076967	GSCDDEMR 	C32H53N11O16S2	911.3114	NA	PeJP	NA	NA
+PJ076968	SSCDEWW 	C40H49N9O14S	911.312	NA	PeJP	NA	NA
+PJ076969	GPCCDMMR 	C33H57N11O11S4	911.3122	NA	PeJP	NA	NA
+PJ076970	GCCNNQHH 	C33H49N15O12S2	911.3127	NA	PeJP	NA	NA
+PJ076971	SPCCMWW 	C41H53N9O9S3	911.3129	NA	PeJP	NA	NA
+PJ076972	SSSSDDEW 	C36H49N9O19	911.3145	NA	PeJP	NA	NA
+PJ076973	SNDEMMW 	C37H53N9O14S2	911.3154	NA	PeJP	NA	NA
+PJ076974	CDYYYW 	C45H49N7O12S	911.316	NA	PeJP	NA	NA
+PJ076975	PCNMMMW 	C38H57N9O9S4	911.3162	NA	PeJP	NA	NA
+PJ076976	GGPCMMMW 	C38H57N9O9S4	911.3163	NA	PeJP	NA	NA
+PJ076977	CCEHHHF 	C38H49N13O10S2	911.3167	NA	PeJP	NA	NA
+PJ076978	SSSNEEEM 	C33H53N9O19S	911.3179	NA	PeJP	NA	NA
+PJ076979	SSDDYYY 	C41H49N7O17	911.3185	NA	PeJP	NA	NA
+PJ076980	NQEEMMM 	C34H57N9O14S3	911.3187	NA	PeJP	NA	NA
+PJ076981	GGQEEMMM 	C34H57N9O14S3	911.3188	NA	PeJP	NA	NA
+PJ076982	GCNNNNNY 	C34H49N13O15S	911.3192	NA	PeJP	NA	NA
+PJ076983	GGGGGGGGGGGCY 	C34H49N13O15S	911.3193	NA	PeJP	NA	NA
+PJ076984	PTCCYYY 	C42H53N7O12S2	911.3194	NA	PeJP	NA	NA
+PJ076985	TMMMMMH 	C35H61N9O9S5	911.3196	NA	PeJP	NA	NA
+PJ076986	CCCNQRW 	C35H53N13O10S3	911.3201	NA	PeJP	NA	NA
+MJ097514	Microsclerodermin C 	C41H50ClN9O13	911.32166	NA	MeJP	NA	NA
+PJ076987	PDEEEMY 	C38H53N7O17S	911.3219	NA	PeJP	NA	NA
+PJ076988	SSCCNNER 	C31H53N13O15S2	911.3226	NA	PeJP	NA	NA
+PJ076989	SSMMMYY 	C39H57N7O12S3	911.3228	NA	PeJP	NA	NA
+PJ076990	CNNNDFW 	C39H49N11O13S	911.3232	NA	PeJP	NA	NA
+PJ076991	GGGGCNDFW 	C39H49N11O13S	911.3233	NA	PeJP	NA	NA
+PJ076992	NDDDDRY 	C35H49N11O18	911.3257	NA	PeJP	NA	NA
+PJ076993	GGDDDDRY 	C35H49N11O18	911.3258	NA	PeJP	NA	NA
+PJ076994	SCDDMRW 	C36H53N11O13S2	911.3266	NA	PeJP	NA	NA
+PJ076995	DDDHHHH 	C36H45N15O14	911.3271	NA	PeJP	NA	NA
+PJ076996	SSSDDDMR 	C32H53N11O18S	911.3291	NA	PeJP	NA	NA
+PJ076997	GNDEEYW 	C40H49N9O16	911.3298	NA	PeJP	NA	NA
+PJ076998	NDDMMMR 	C33H57N11O13S3	911.33	NA	PeJP	NA	NA
+PJ076999	SSCNNNHH 	C33H49N15O14S	911.3304	NA	PeJP	NA	NA
+PJ077000	GGSSCNNHH 	C33H49N15O14S	911.3305	NA	PeJP	NA	NA
+PJ077001	GSDMMWW 	C41H53N9O11S2	911.3306	NA	PeJP	NA	NA
+PJ077002	GPCCCHHR 	C34H53N15O9S3	911.3313	NA	PeJP	NA	NA
+PJ077003	GSSSEEMW 	C37H53N9O16S	911.3331	NA	PeJP	NA	NA
+PJ077004	GGGGEEEMF 	C37H53N9O16S	911.3332	NA	PeJP	NA	NA
+PJ077005	GQEMMMW 	C38H57N9O11S3	911.334	NA	PeJP	NA	NA
+PJ077006	SCNEHHW 	C38H49N13O12S	911.3345	NA	PeJP	NA	NA
+PJ077007	CMFYYW 	C46H53N7O9S2	911.3346	NA	PeJP	NA	NA
+PJ077008	GSSSSTEEE 	C33H53N9O21	911.3356	NA	PeJP	NA	NA
+PJ077009	GSTQEEMM 	C34H57N9O16S2	911.3365	NA	PeJP	NA	NA
+PJ077010	SSSNDEHH 	C34H49N13O17	911.337	NA	PeJP	NA	NA
+PJ077011	GSEMYYY 	C42H53N7O14S	911.3371	NA	PeJP	NA	NA
+PJ077012	GSPQMMMM 	C35H61N9O11S4	911.3374	NA	PeJP	NA	NA
+PJ077013	GSSCCNRW 	C35H53N13O12S2	911.3378	NA	PeJP	NA	NA
+PJ077014	GGGSSCCRW 	C35H53N13O12S2	911.3379	NA	PeJP	NA	NA
+PJ077015	ACMMFFY 	C43H57N7O9S3	911.338	NA	PeJP	NA	NA
+PJ077016	VDEEEEY 	C38H53N7O19	911.3397	NA	PeJP	NA	NA
+PJ077017	GSSSSCNDR 	C31H53N13O17S	911.3403	NA	PeJP	NA	NA
+PJ077018	GGGSSSSCDR 	C31H53N13O17S	911.3404	NA	PeJP	NA	NA
+PJ077019	PEEEMMF 	C39H57N7O14S2	911.3405	NA	PeJP	NA	NA
+PJ077020	SNNNDYW 	C39H49N11O15	911.341	NA	PeJP	NA	NA
+PJ077021	CCDEMRR 	C32H57N13O12S3	911.3412	NA	PeJP	NA	NA
+PJ077022	CNNMHFF 	C40H53N11O10S2	911.3419	NA	PeJP	NA	NA
+PJ077023	LEEEMMM 	C36H61N7O14S3	911.3439	NA	PeJP	NA	NA
+PJ077024	CNQQQEY 	C36H53N11O15S	911.3443	NA	PeJP	NA	NA
+PJ077025	SSSSNNMW 	C36H53N11O15S	911.3444	NA	PeJP	NA	NA
+PJ077026	NDEYWW 	C44H49N9O13	911.345	NA	PeJP	NA	NA
+PJ077027	GCEMMRW 	C37H57N11O10S3	911.3452	NA	PeJP	NA	NA
+PJ077028	GGGACCKMW 	C37H57N11O10S3	911.3453	NA	PeJP	NA	NA
+PJ077029	TCMWWW 	C45H53N9O8S2	911.3459	NA	PeJP	NA	NA
+PJ077030	SSSSSSNQE 	C32H53N11O20	911.3468	NA	PeJP	NA	NA
+PJ077031	GGSSSSSSQE 	C32H53N11O20	911.3469	NA	PeJP	NA	NA
+PJ077032	GSSDEMMR 	C33H57N11O15S2	911.3477	NA	PeJP	NA	NA
+PJ077033	GGGGGGSTTMM 	C33H57N11O15S2	911.3478	NA	PeJP	NA	NA
+PJ077034	GNNNNNEH 	C33H49N15O16	911.3482	NA	PeJP	NA	NA
+PJ077035	SSSEMWW 	C41H53N9O13S	911.3484	NA	PeJP	NA	NA
+PJ077036	GSPCMMMR 	C34H61N11O10S4	911.3486	NA	PeJP	NA	NA
+PJ077037	CNDMHHR 	C34H53N15O11S2	911.3491	NA	PeJP	NA	NA
+PJ077038	QMMMWW 	C42H57N9O8S3	911.3493	NA	PeJP	NA	NA
+PJ077039	GSCHHWW 	C42H49N13O9S	911.3497	NA	PeJP	NA	NA
+PJ077040	SSSSTEEW 	C37H53N9O18	911.3509	NA	PeJP	NA	NA
+PJ077041	STQEMMW 	C38H57N9O13S2	911.3518	NA	PeJP	NA	NA
+PJ077042	GSSSDHHW 	C38H49N13O14	911.3522	NA	PeJP	NA	NA
+PJ077043	GGGGDEHHF 	C38H49N13O14	911.3523	NA	PeJP	NA	NA
+PJ077044	SMYYYW 	C46H53N7O11S	911.3524	NA	PeJP	NA	NA
+PJ077045	GSCCCQRR 	C31H57N15O11S3	911.3525	NA	PeJP	NA	NA
+PJ077046	CLMMMHF 	C39H61N9O8S4	911.3526	NA	PeJP	NA	NA
+PJ077047	GNMMHHW 	C39H53N13O9S2	911.3531	NA	PeJP	NA	NA
+PJ077048	STTTDQEM 	C34H57N9O18S	911.3542	NA	PeJP	NA	NA
+PJ077049	SSSDKEEM 	C34H57N9O18S	911.3543	NA	PeJP	NA	NA
+PJ077050	SSTEYYY 	C42H53N7O16	911.3549	NA	PeJP	NA	NA
+PJ077051	NKEEMMM 	C35H61N9O13S3	911.3551	NA	PeJP	NA	NA
+PJ077052	CNNNERY 	C35H53N13O14S	911.3556	NA	PeJP	NA	NA
+PJ077053	AAMMYYY 	C43H57N7O11S2	911.3558	NA	PeJP	NA	NA
+PJ077054	GPDDHWW 	C43H49N11O12	911.3563	NA	PeJP	NA	NA
+PJ077055	CCCNKRW 	C36H57N13O9S3	911.3565	NA	PeJP	NA	NA
+PJ077056	CNQHHHH 	C36H49N17O10S	911.3569	NA	PeJP	NA	NA
+PJ077057	GGCQHHHH 	C36H49N17O10S	911.357	NA	PeJP	NA	NA
+MJ097515	Altromycin A 	C46H57NO18	911.357564	NA	MeJP	NA	NA
+PJ077058	VEEEEMF 	C39H57N7O16S	911.3583	NA	PeJP	NA	NA
+PJ077059	SSSCNQMR 	C32H57N13O14S2	911.359	NA	PeJP	NA	NA
+PJ077060	GNNQMYW 	C40H53N11O12S	911.3596	NA	PeJP	NA	NA
+PJ077061	GGGGGGGPCFF 	C40H53N11O12S	911.3597	NA	PeJP	NA	NA
+PJ077062	GDYWWW 	C48H49N9O10	911.3603	NA	PeJP	NA	NA
+PJ077063	CMMRWW 	C41H57N11O7S3	911.3605	NA	PeJP	NA	NA
+PJ077064	GSSSSSSQW 	C36H53N11O17	911.3621	NA	PeJP	NA	NA
+PJ077065	GGGGGSPPPDD 	C36H53N11O17	911.3622	NA	PeJP	NA	NA
+PJ077066	SSDMMRW 	C37H57N11O12S2	911.363	NA	PeJP	NA	NA
+PJ077067	NNNNNHW 	C37H49N15O13	911.3635	NA	PeJP	NA	NA
+PJ077068	GPTCYWW 	C45H53N9O10S	911.3636	NA	PeJP	NA	NA
+PJ077069	GGEMFWW 	C45H53N9O10S	911.3637	NA	PeJP	NA	NA
+PJ077070	ACCHHRW 	C38H53N15O8S2	911.3643	NA	PeJP	NA	NA
+PJ077071	SSSSEEMR 	C33H57N11O17S	911.3655	NA	PeJP	NA	NA
+PJ077072	GTQEEYW 	C41H53N9O15	911.3661	NA	PeJP	NA	NA
+PJ077073	GGATEEYW 	C41H53N9O15	911.3662	NA	PeJP	NA	NA
+PJ077074	SQEMMMR 	C34H61N11O12S3	911.3664	NA	PeJP	NA	NA
+PJ077075	GSSCEHHR 	C34H53N15O13S	911.3668	NA	PeJP	NA	NA
+PJ077076	GGGPCNDHR 	C34H53N15O13S	911.3669	NA	PeJP	NA	NA
+PJ077077	GTTMMWW 	C42H57N9O10S2	911.367	NA	PeJP	NA	NA
+PJ077078	GNDHHFW 	C42H49N13O11	911.3675	NA	PeJP	NA	NA
+PJ077079	CFFFYW 	C50H53N7O8S	911.3677	NA	PeJP	NA	NA
+PJ077080	GSTTTEMW 	C38H57N9O15S	911.3695	NA	PeJP	NA	NA
+PJ077081	GSPYYYY 	C46H53N7O13	911.3702	NA	PeJP	NA	NA
+PJ077082	GKEMMMW 	C39H61N9O10S3	911.3704	NA	PeJP	NA	NA
+PJ077083	SSQMHHW 	C39H53N13O11S	911.3708	NA	PeJP	NA	NA
+PJ077084	GCNNRYW 	C39H53N13O11S	911.3709	NA	PeJP	NA	NA
+PJ077085	ACMFFFF 	C47H57N7O8S2	911.371	NA	PeJP	NA	NA
+PJ077086	SSSSSSLEE 	C34H57N9O20	911.372	NA	PeJP	NA	NA
+PJ077087	GSTKEEMM 	C35H61N9O15S2	911.3729	NA	PeJP	NA	NA
+PJ077088	SSSSSSPHH 	C35H53N13O16	911.3733	NA	PeJP	NA	NA
+PJ077089	GSSNNDRY 	C35H53N13O16	911.3734	NA	PeJP	NA	NA
+PJ077090	ATTMYYY 	C43H57N7O13S	911.3735	NA	PeJP	NA	NA
+PJ077091	GSPKMMMM 	C36H65N9O10S4	911.3738	NA	PeJP	NA	NA
+PJ077092	PCCDRRY 	C36H57N13O11S2	911.3742	NA	PeJP	NA	NA
+PJ077093	GGGGGACMFR 	C36H57N13O11S2	911.3743	NA	PeJP	NA	NA
+PJ077094	GSSNHHHH 	C36H49N17O12	911.3747	NA	PeJP	NA	NA
+PJ077095	CDFRWW 	C44H53N11O9S	911.3749	NA	PeJP	NA	NA
+PJ077096	TLEEEEY 	C39H57N7O18	911.376	NA	PeJP	NA	NA
+PJ077097	GSSSSSNMR 	C32H57N13O16S	911.3767	NA	PeJP	NA	NA
+PJ077098	PLEEMMY 	C40H61N7O13S2	911.3769	NA	PeJP	NA	NA
+PJ077099	GSDERYW 	C40H53N11O14	911.3774	NA	PeJP	NA	NA
+PJ077100	SCEMMRR 	C33H61N13O11S3	911.3776	NA	PeJP	NA	NA
+PJ077101	PTCCFRW 	C41H57N11O9S2	911.3782	NA	PeJP	NA	NA
+PJ077102	GPCMRYW 	C41H57N11O9S2	911.3783	NA	PeJP	NA	NA
+PJ077103	GMFWWW 	C49H53N9O7S	911.3789	NA	PeJP	NA	NA
+PJ077104	SSSSCQKW 	C37H57N11O14S	911.3807	NA	PeJP	NA	NA
+PJ077105	GGSSSTCKW 	C37H57N11O14S	911.3808	NA	PeJP	NA	NA
+PJ077106	TQEYWW 	C45H53N9O12	911.3814	NA	PeJP	NA	NA
+PJ077107	GTMMMRW 	C38H61N11O9S3	911.3816	NA	PeJP	NA	NA
+PJ077108	SSCHHRW 	C38H53N15O10S	911.3821	NA	PeJP	NA	NA
+PJ077109	SSSSSSNKE 	C33H57N11O19	911.3832	NA	PeJP	NA	NA
+PJ077110	GGSSSSSSKE 	C33H57N11O19	911.3833	NA	PeJP	NA	NA
+PJ077111	GSTTEMMR 	C34H61N11O14S2	911.3841	NA	PeJP	NA	NA
+PJ077112	SSSSDHHR 	C34H53N15O15	911.3846	NA	PeJP	NA	NA
+PJ077113	STTTMWW 	C42H57N9O12S	911.3848	NA	PeJP	NA	NA
+PJ077114	VNMMMMR 	C35H65N11O9S4	911.385	NA	PeJP	NA	NA
+PJ077115	AFYYYW 	C50H53N7O10	911.3854	NA	PeJP	NA	NA
+PJ077116	CCNNFRR 	C35H57N15O10S2	911.3855	NA	PeJP	NA	NA
+PJ077117	KMMMWW 	C43H61N9O7S3	911.3856	NA	PeJP	NA	NA
+PJ077118	GMHHHFF 	C43H53N13O8S	911.3861	NA	PeJP	NA	NA
+PJ077119	SSTTTTEW 	C38H57N9O17	911.3873	NA	PeJP	NA	NA
+PJ077120	STKEMMW 	C39H61N9O12S2	911.3881	NA	PeJP	NA	NA
+PJ077121	GGPKEMMY 	C39H61N9O12S2	911.3882	NA	PeJP	NA	NA
+PJ077122	SPDDHRW 	C39H53N13O13	911.3886	NA	PeJP	NA	NA
+PJ077123	GGGGGGGGGPPW 	C39H53N13O13	911.3887	NA	PeJP	NA	NA
+PJ077124	AAMFFYY 	C47H57N7O10S	911.3888	NA	PeJP	NA	NA
+PJ077125	ACKMHHW 	C40H57N13O8S2	911.3895	NA	PeJP	NA	NA
+PJ077126	SSTTKEEM 	C35H61N9O17S	911.3906	NA	PeJP	NA	NA
+PJ077127	TTTTYYY 	C43H57N7O15	911.3913	NA	PeJP	NA	NA
+PJ077128	DKKEMMM 	C36H65N9O12S3	911.3915	NA	PeJP	NA	NA
+PJ077129	GDDMRRY 	C36H57N13O13S	911.392	NA	PeJP	NA	NA
+PJ077130	SDRYWW 	C44H53N11O11	911.3926	NA	PeJP	NA	NA
+PJ077131	GGGGGQFFW 	C44H53N11O11	911.3927	NA	PeJP	NA	NA
+PJ077132	PCCMFRR 	C37H61N13O8S3	911.3929	NA	PeJP	NA	NA
+PJ077133	CNKHHHH 	C37H53N17O9S	911.3933	NA	PeJP	NA	NA
+PJ077134	SSSSSSSQR 	C32H57N13O18	911.3945	NA	PeJP	NA	NA
+PJ077135	VLEEEMY 	C40H61N7O15S	911.3947	NA	PeJP	NA	NA
+PJ077136	SSSCNKMR 	C33H61N13O13S2	911.3954	NA	PeJP	NA	NA
+PJ077137	GSNNNNHR 	C33H53N17O14	911.3958	NA	PeJP	NA	NA
+PJ077138	GGGGGGGSNHR 	C33H53N17O14	911.3959	NA	PeJP	NA	NA
+PJ077139	QEMRYW 	C41H57N11O11S	911.396	NA	PeJP	NA	NA
+PJ077140	GMMMMRR 	C34H65N13O8S4	911.3962	NA	PeJP	NA	NA
+PJ077141	ATYWWW 	C49H53N9O9	911.3967	NA	PeJP	NA	NA
+PJ077142	GSSSSSSKW 	C37H57N11O16	911.3985	NA	PeJP	NA	NA
+PJ077143	STTMMRW 	C38H61N11O11S2	911.3994	NA	PeJP	NA	NA
+PJ077144	ANNDHRW 	C38H53N15O12	911.3998	NA	PeJP	NA	NA
+PJ077145	GNNEHRW 	C38H53N15O12	911.3999	NA	PeJP	NA	NA
+PJ077146	VQMYWW 	C46H57N9O9S	911.4	NA	PeJP	NA	NA
+PJ077147	AHHHHHH 	C39H49N19O8	911.4012	NA	PeJP	NA	NA
+PJ077148	SSTTTEMR 	C34H61N11O16S	911.4019	NA	PeJP	NA	NA
+PJ077149	GTKEEYW 	C42H57N9O14	911.4025	NA	PeJP	NA	NA
+PJ077150	GGGVVDDFF 	C42H57N9O14	911.4026	NA	PeJP	NA	NA
+PJ077151	SKEMMMR 	C35H65N11O11S3	911.4027	NA	PeJP	NA	NA
+PJ077152	TDKMMMR 	C35H65N11O11S3	911.4028	NA	PeJP	NA	NA
+PJ077153	SCNNRRY 	C35H57N15O12S	911.4032	NA	PeJP	NA	NA
+PJ077154	GPKMMYW 	C43H61N9O9S2	911.4034	NA	PeJP	NA	NA
+PJ077155	QQQHWW 	C43H53N13O10	911.4039	NA	PeJP	NA	NA
+PJ077156	SSSTTLMW 	C39H61N9O14S	911.4059	NA	PeJP	NA	NA
+PJ077157	LQYYYY 	C47H57N7O12	911.4065	NA	PeJP	NA	NA
+PJ077158	PPPEFYY 	C47H57N7O12	911.4066	NA	PeJP	NA	NA
+PJ077159	SVKMMMW 	C40H65N9O9S3	911.4068	NA	PeJP	NA	NA
+PJ077160	CERRYW 	C40H57N13O10S	911.4072	NA	PeJP	NA	NA
+PJ077161	GPEMHRW 	C40H57N13O10S	911.4073	NA	PeJP	NA	NA
+PJ077162	PTHWWW 	C48H53N11O8	911.4079	NA	PeJP	NA	NA
+PJ077163	SSSSTTTLE 	C35H61N9O19	911.4084	NA	PeJP	NA	NA
+PJ077164	SSSLKEMM 	C36H65N9O14S2	911.4093	NA	PeJP	NA	NA
+PJ077165	SSDERRY 	C36H57N13O15	911.4097	NA	PeJP	NA	NA
+PJ077166	GGGGGSTTRY 	C36H57N13O15	911.4098	NA	PeJP	NA	NA
+PJ077167	PPLEMYY 	C44H61N7O12S	911.4099	NA	PeJP	NA	NA
+PJ077168	LQKMMMM 	C37H69N9O9S4	911.4101	NA	PeJP	NA	NA
+PJ077169	GALKMMMM 	C37H69N9O9S4	911.4102	NA	PeJP	NA	NA
+PJ077170	SPCMRRY 	C37H61N13O10S2	911.4106	NA	PeJP	NA	NA
+PJ077171	PNDHHHR 	C37H53N17O11	911.4111	NA	PeJP	NA	NA
+PJ077172	AMRYWW 	C45H57N11O8S	911.4113	NA	PeJP	NA	NA
+PJ077173	GSSSSTCKR 	C33H61N13O15S	911.4131	NA	PeJP	NA	NA
+PJ077174	LLEEMMF 	C41H65N7O12S2	911.4133	NA	PeJP	NA	NA
+PJ077175	GTTERYW 	C41H57N11O13	911.4138	NA	PeJP	NA	NA
+PJ077176	STMMMRR 	C34H65N13O10S3	911.414	NA	PeJP	NA	NA
+PJ077177	AAMMFRW 	C42H61N11O8S2	911.4146	NA	PeJP	NA	NA
+PJ077178	NNHRWW 	C42H53N15O9	911.4151	NA	PeJP	NA	NA
+PJ077179	SSSSCKKW 	C38H61N11O13S	911.4171	NA	PeJP	NA	NA
+PJ077180	GGGGDKKMY 	C38H61N11O13S	911.4172	NA	PeJP	NA	NA
+PJ077181	TKEYWW 	C46H57N9O11	911.4178	NA	PeJP	NA	NA
+PJ077182	PCKMMFR 	C39H65N11O8S3	911.418	NA	PeJP	NA	NA
+PJ077183	GQMHHFR 	C39H57N15O9S	911.4185	NA	PeJP	NA	NA
+PJ077184	SSSSSSDKK 	C34H61N11O18	911.4196	NA	PeJP	NA	NA
+PJ077185	SSSTLMMR 	C35H65N11O13S2	911.4205	NA	PeJP	NA	NA
+PJ077186	GEEEHRR 	C35H57N15O14	911.421	NA	PeJP	NA	NA
+PJ077187	SPTKMYW 	C43H61N9O11S	911.4211	NA	PeJP	NA	NA
+PJ077188	GVKEMYW 	C43H61N9O11S	911.4212	NA	PeJP	NA	NA
+PJ077189	CLKMMMR 	C36H69N11O8S4	911.4214	NA	PeJP	NA	NA
+PJ077190	AAFFFFY 	C51H57N7O9	911.4218	NA	PeJP	NA	NA
+PJ077191	TCKMHHR 	C36H61N15O9S2	911.4219	NA	PeJP	NA	NA
+PJ077192	PMHRWW 	C44H57N13O7S	911.4225	NA	PeJP	NA	NA
+PJ077193	TTTTTTTW 	C39H61N9O16	911.4236	NA	PeJP	NA	NA
+PJ077194	SKKEEEY 	C39H61N9O16	911.4237	NA	PeJP	NA	NA
+PJ077195	PDKKMMY 	C40H65N9O11S2	911.4245	NA	PeJP	NA	NA
+PJ077196	GVEEHRW 	C40H57N13O12	911.425	NA	PeJP	NA	NA
+PJ077197	TTTTTKEM 	C36H65N9O16S	911.427	NA	PeJP	NA	NA
+PJ077198	PVLEEYY 	C44H61N7O14	911.4277	NA	PeJP	NA	NA
+PJ077199	GTTLKMMM 	C37H69N9O11S3	911.4279	NA	PeJP	NA	NA
+PJ077200	GTEMRRY 	C37H61N13O12S	911.4284	NA	PeJP	NA	NA
+PJ077201	TTRYWW 	C45H57N11O10	911.429	NA	PeJP	NA	NA
+PJ077202	GCHHFRR 	C38H57N17O8S	911.4297	NA	PeJP	NA	NA
+PJ077203	SSSSSSSKR 	C33H61N13O17	911.4309	NA	PeJP	NA	NA
+8143	peptide derived from wheat gluten	LQPGQGQQG	911.431	stimulating	Inhouse_peptide	NA	peptide
+PJ077204	SSTCCKKR 	C34H65N13O12S2	911.4317	NA	PeJP	NA	NA
+PJ077205	SNNEHRR 	C34H57N17O13	911.4322	NA	PeJP	NA	NA
+PJ077206	KEMRYW 	C42H61N11O10S	911.4324	NA	PeJP	NA	NA
+PJ077207	VQFFWW 	C50H57N9O8	911.433	NA	PeJP	NA	NA
+PJ077208	GGLFFWW 	C50H57N9O8	911.4331	NA	PeJP	NA	NA
+PJ077209	STKEERY 	C38H61N11O15	911.4349	NA	PeJP	NA	NA
+PJ077210	SPKMMRY 	C39H65N11O10S2	911.4358	NA	PeJP	NA	NA
+PJ077211	EEHRRW 	C39H57N15O11	911.4362	NA	PeJP	NA	NA
+PJ077212	GGGDKHRW 	C39H57N15O11	911.4363	NA	PeJP	NA	NA
+PJ077213	VKMYWW 	C47H61N9O8S	911.4364	NA	PeJP	NA	NA
+PJ077214	TTTTTTMR 	C35H65N11O15S	911.4383	NA	PeJP	NA	NA
+PJ077215	SSLKEYW 	C43H61N9O13	911.4389	NA	PeJP	NA	NA
+PJ077216	GSCKKKMM 	C36H69N11O10S3	911.4391	NA	PeJP	NA	NA
+PJ077217	SPEMHRR 	C36H61N15O11S	911.4396	NA	PeJP	NA	NA
+PJ077218	GLKMMFW 	C44H65N9O8S2	911.4398	NA	PeJP	NA	NA
+PJ077219	VEHRWW 	C44H57N13O9	911.4403	NA	PeJP	NA	NA
+PJ077220	VDKKEMY 	C40H65N9O13S	911.4423	NA	PeJP	NA	NA
+PJ077221	LKYYYY 	C48H61N7O11	911.4429	NA	PeJP	NA	NA
+PJ077222	PKKMMMF 	C41H69N9O8S3	911.4432	NA	PeJP	NA	NA
+PJ077223	TMRRYW 	C41H61N13O9S	911.4436	NA	PeJP	NA	NA
+PJ077224	VVHWWW 	C49H57N11O7	911.4443	NA	PeJP	NA	NA
+PJ077225	SSTTTTTTL 	C36H65N9O18	911.4448	NA	PeJP	NA	NA
+PJ077226	STTTLKMM 	C37H69N9O13S2	911.4456	NA	PeJP	NA	NA
+PJ077227	STTERRY 	C37H61N13O14	911.4461	NA	PeJP	NA	NA
+PJ077228	GGGGSPPVER 	C37H61N13O14	911.4462	NA	PeJP	NA	NA
+PJ077229	PLLEMFY 	C45H65N7O11S	911.4463	NA	PeJP	NA	NA
+PJ077230	LKKMMMM 	C38H73N9O8S4	911.4465	NA	PeJP	NA	NA
+PJ077231	GVMMRRY 	C38H65N13O9S2	911.447	NA	PeJP	NA	NA
+PJ077232	GSNHRRW 	C38H57N17O10	911.4475	NA	PeJP	NA	NA
+PJ077233	LLLEMMY 	C42H69N7O11S2	911.4497	NA	PeJP	NA	NA
+PJ077234	SSTLRYW 	C42H61N11O12	911.4501	NA	PeJP	NA	NA
+PJ077235	GGSSKKYW 	C42H61N11O12	911.4502	NA	PeJP	NA	NA
+PJ077236	GQQMHRR 	C35H61N17O10S	911.4508	NA	PeJP	NA	NA
+PJ077237	GGAQMHRR 	C35H61N17O10S	911.4509	NA	PeJP	NA	NA
+PJ077238	APKHHHW 	C43H57N15O8	911.4515	NA	PeJP	NA	NA
+MJ097516	Albopeptin A 	C39H65N11O12S	911.453487	NA	MeJP	NA	NA
+PJ077239	SVKEMRY 	C39H65N11O12S	911.4535	NA	PeJP	NA	NA
+PJ077240	GGGGGGPPLLM 	C39H65N11O12S	911.4536	NA	PeJP	NA	NA
+PJ077241	PPVVEWW 	C47H61N9O10	911.4542	NA	PeJP	NA	NA
+PJ077242	PPCHFRR 	C40H61N15O8S	911.4549	NA	PeJP	NA	NA
+PJ077243	SSSSSTTKK 	C35H65N11O17	911.456	NA	PeJP	NA	NA
+PJ077244	SSTCKKKM 	C36H69N11O12S2	911.4569	NA	PeJP	NA	NA
+PJ077245	SVEEHRR 	C36H61N15O13	911.4574	NA	PeJP	NA	NA
+PJ077246	ATLKMYW 	C44H65N9O10S	911.4575	NA	PeJP	NA	NA
+PJ077247	APPPTLMW 	C44H65N9O10S	911.4576	NA	PeJP	NA	NA
+PJ077248	MMRRRY 	C37H65N15O8S2	911.4582	NA	PeJP	NA	NA
+PJ077249	GTTTLKEY 	C40H65N9O15	911.46	NA	PeJP	NA	NA
+PJ077250	APPLKEEE 	C40H65N9O15	911.4601	NA	PeJP	NA	NA
+PJ077251	VLQKMMY 	C41H69N9O10S2	911.4609	NA	PeJP	NA	NA
+PJ077252	ATLEHRW 	C41H61N13O11	911.4614	NA	PeJP	NA	NA
+PJ077253	GCQHRRR 	C34H61N19O9S	911.4621	NA	PeJP	NA	NA
+PJ077254	VLLEEFY 	C45H65N7O13	911.4641	NA	PeJP	NA	NA
+PJ077255	SCQKKRY 	C38H65N13O11S	911.4647	NA	PeJP	NA	NA
+PJ077256	SSLMRRY 	C38H65N13O11S	911.4648	NA	PeJP	NA	NA
+PJ077257	GTLLHWW 	C46H61N11O9	911.4654	NA	PeJP	NA	NA
+PJ077258	SNDKHRR 	C35H61N17O12	911.4686	NA	PeJP	NA	NA
+PJ077259	GCKKKYW 	C43H65N11O9S	911.4688	NA	PeJP	NA	NA
+PJ077260	VKFFWW 	C51H61N9O7	911.4694	NA	PeJP	NA	NA
+PJ077261	SSSSLLRY 	C39H65N11O14	911.4713	NA	PeJP	NA	NA
+PJ077262	ALKMMRY 	C40H69N11O9S2	911.4721	NA	PeJP	NA	NA
+PJ077263	APPPLMMR 	C40H69N11O9S2	911.4722	NA	PeJP	NA	NA
+PJ077264	SPPNRRW 	C40H61N15O10	911.4726	NA	PeJP	NA	NA
+PJ077265	TTTLKYW 	C44H65N9O12	911.4753	NA	PeJP	NA	NA
+PJ077266	ALEMHRR 	C37H65N15O10S	911.476	NA	PeJP	NA	NA
+PJ077267	QKKHWW 	C45H61N13O8	911.4766	NA	PeJP	NA	NA
+PJ077268	GAKKHWW 	C45H61N13O8	911.4767	NA	PeJP	NA	NA
+PJ077269	TLKKEMY 	C41H69N9O12S	911.4787	NA	PeJP	NA	NA
+PJ077270	PPLLFYY 	C49H65N7O10	911.4793	NA	PeJP	NA	NA
+PJ077271	SSNHRRR 	C34H61N19O11	911.4798	NA	PeJP	NA	NA
+PJ077272	GLLMHRW 	C42H65N13O8S	911.48	NA	PeJP	NA	NA
+PJ077273	GSSSKKRY 	C38H65N13O13	911.4825	NA	PeJP	NA	NA
+PJ077274	GGGGGGGGPVLK 	C38H65N13O13	911.4826	NA	PeJP	NA	NA
+PJ077275	PLLLMYY 	C46H69N7O10S	911.4827	NA	PeJP	NA	NA
+PJ077276	CCKKKFR 	C39H69N13O8S2	911.4834	NA	PeJP	NA	NA
+PJ077277	PTKHHHR 	C39H61N17O9	911.4839	NA	PeJP	NA	NA
+PJ077278	SLLKEHW 	C43H65N11O11	911.4865	NA	PeJP	NA	NA
+PJ077279	AAPPDKKW 	C43H65N11O11	911.4866	NA	PeJP	NA	NA
+PJ077280	PPCQRRR 	C36H65N17O9S	911.4872	NA	PeJP	NA	NA
+PJ077281	TTLKMRY 	C40H69N11O11S	911.4899	NA	PeJP	NA	NA
+PJ077282	PPTLLWW 	C48H65N9O9	911.4906	NA	PeJP	NA	NA
+PJ077283	MFFRRR 	C41H65N15O7S	911.4913	NA	PeJP	NA	NA
+PJ077284	TTLEHRR 	C37H65N15O12	911.4937	NA	PeJP	NA	NA
+PJ077285	PVQQERR 	C37H65N15O12	911.4938	NA	PeJP	NA	NA
+PJ077286	GPPVLLMW 	C45H69N9O9S	911.4939	NA	PeJP	NA	NA
+PJ077287	GLHHHRR 	C38H61N19O8	911.4951	NA	PeJP	NA	NA
+PJ077288	SSTTLLKY 	C41H69N9O14	911.4964	NA	PeJP	NA	NA
+PJ077289	GGPVVLLEE 	C41H69N9O14	911.4965	NA	PeJP	NA	NA
+PJ077290	VLKKMMY 	C42H73N9O9S2	911.4973	NA	PeJP	NA	NA
+MJ097517	Saralasin 	C42H65N13O10	911.497735	NA	MeJP	NA	NA
+PJ077291	STLLHRW 	C42H65N13O10	911.4978	NA	PeJP	NA	NA
+PJ077292	GCKHRRR 	C35H65N19O8S	911.4985	NA	PeJP	NA	NA
+MJ097518	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?2)]-?-D-galactopyranoside] 	C47H76O17(+)	911.500426	NA	MeJP	NA	NA
+PJ077293	VLLLEYY 	C46H69N7O12	911.5005	NA	PeJP	NA	NA
+PJ077294	SCKKKRY 	C39H69N13O10S	911.5011	NA	PeJP	NA	NA
+PJ077295	LLDKMHR 	C39H69N13O10S	911.5012	NA	PeJP	NA	NA
+PJ077296	APPKKWW 	C47H65N11O8	911.5018	NA	PeJP	NA	NA
+PJ077297	APQERRR 	C36H65N17O11	911.505	NA	PeJP	NA	NA
+PJ077298	PPLLMRW 	C44H69N11O8S	911.5052	NA	PeJP	NA	NA
+PJ077299	GSTTKKKY 	C40H69N11O13	911.5077	NA	PeJP	NA	NA
+PJ077300	CKKKKMF 	C41H73N11O8S2	911.5085	NA	PeJP	NA	NA
+MJ097519	Candihexin; Candihexin A 	C43H77NO19	911.508979	NA	MeJP	NA	NA
+PJ077301	GPLQRRW 	C41H65N15O9	911.509	NA	PeJP	NA	NA
+PJ077302	AAPLLLEW 	C45H69N9O11	911.5117	NA	PeJP	NA	NA
+PJ077303	SLLMHRR 	C38H69N15O9S	911.5124	NA	PeJP	NA	NA
+PJ077304	KKKHWW 	C46H65N13O7	911.513	NA	PeJP	NA	NA
+PJ077305	PPVVLKEM 	C42H73N9O11S	911.5151	NA	PeJP	NA	NA
+PJ077306	PLLLFFY 	C50H69N7O9	911.5157	NA	PeJP	NA	NA
+PJ077307	GPDRRRR 	C35H65N19O10	911.5162	NA	PeJP	NA	NA
+PJ077308	PLLEERR 	C39H69N13O12	911.5189	NA	PeJP	NA	NA
+PJ077309	LLLLMFY 	C47H73N7O9S	911.5191	NA	PeJP	NA	NA
+PJ077310	VVKHHHR 	C40H65N17O8	911.5202	NA	PeJP	NA	NA
+PJ077311	AAPRRRW 	C40H65N17O8	911.5203	NA	PeJP	NA	NA
+PJ077312	PVLLERW 	C44H69N11O10	911.5229	NA	PeJP	NA	NA
+PJ077313	PPCKRRR 	C37H69N17O8S	911.5236	NA	PeJP	NA	NA
+PJ077314	SKKKKMY 	C41H73N11O10S	911.5263	NA	PeJP	NA	NA
+PJ077315	PVVLLWW 	C49H69N9O8	911.527	NA	PeJP	NA	NA
+PJ077316	PVQKERR 	C38H69N15O11	911.5301	NA	PeJP	NA	NA
+PJ077317	GGPLKERR 	C38H69N15O11	911.5302	NA	PeJP	NA	NA
+PJ077318	VLKKMFF 	C46H73N9O8S	911.5303	NA	PeJP	NA	NA
+PJ077319	APLLLKEE 	C42H73N9O13	911.5328	NA	PeJP	NA	NA
+PJ077320	PPTKKRW 	C43H69N13O9	911.5342	NA	PeJP	NA	NA
+MJ097520	Ochramycin 	C46H77N3O15	911.535468	NA	MeJP	NA	NA
+PJ077321	GPPVKKMR 	C40H73N13O9S	911.5375	NA	PeJP	NA	NA
+PJ077322	APKERRR 	C37H69N17O10	911.5414	NA	PeJP	NA	NA
+PJ077323	STTLLLKH 	C41H73N11O12	911.544	NA	PeJP	NA	NA
+PJ077324	APTLLLER 	C41H73N11O12	911.5441	NA	PeJP	NA	NA
+PJ077325	GPLKRRW 	C42H69N15O8	911.5454	NA	PeJP	NA	NA
+PJ077326	GPTLLLLW 	C46H73N9O10	911.5481	NA	PeJP	NA	NA
+PJ077327	PPKKMRR 	C39H73N15O8S	911.5488	NA	PeJP	NA	NA
+PJ077328	PPTLLLKM 	C43H77N9O10S	911.5515	NA	PeJP	NA	NA
+PJ077329	LLLLFFF 	C51H73N7O8	911.5521	NA	PeJP	NA	NA
+PJ077330	APTRRRR 	C36H69N19O9	911.5526	NA	PeJP	NA	NA
+PJ077331	AAPLKKER 	C40H73N13O11	911.5553	NA	PeJP	NA	NA
+PJ077332	PLLQKKW 	C45H73N11O9	911.5593	NA	PeJP	NA	NA
+PJ077333	GPLLLLMR 	C42H77N11O9S	911.5627	NA	PeJP	NA	NA
+PJ077334	PVKKERR 	C39H73N15O10	911.5665	NA	PeJP	NA	NA
+PJ077335	SPLLLLKE 	C43H77N9O12	911.5692	NA	PeJP	NA	NA
+PJ077336	PVVKKRW 	C44H73N13O8	911.5706	NA	PeJP	NA	NA
+PJ077337	LKKKKMH 	C41H77N13O8S	911.5739	NA	PeJP	NA	NA
+PJ077338	SPLKRRR 	C38H73N17O9	911.5778	NA	PeJP	NA	NA
+PJ077339	AVVLLLER 	C42H77N11O11	911.5804	NA	PeJP	NA	NA
+PJ077340	GVLLLLER 	C42H77N11O11	911.5805	NA	PeJP	NA	NA
+PJ077341	AALLLLLW 	C47H77N9O9	911.5845	NA	PeJP	NA	NA
+PJ077342	PVVLLLKM 	C44H81N9O9S	911.5878	NA	PeJP	NA	NA
+PJ077343	GVLRRRR 	C37H73N19O8	911.589	NA	PeJP	NA	NA
+PJ077344	LLLLERR 	C41H77N13O10	911.5917	NA	PeJP	NA	NA
+PJ077345	VLLLLRW 	C46H77N11O8	911.5957	NA	PeJP	NA	NA
+MJ097521	Ossamycin 	C49H85NO14	911.597006	NA	MeJP	NA	NA
+PJ077346	LRRRRR 	C36H73N21O7	911.6002	NA	PeJP	NA	NA
+PJ077347	VLLQKRR 	C40H77N15O9	911.6029	NA	PeJP	NA	NA
+PJ077348	ALLLLLKE 	C44H81N9O11	911.6056	NA	PeJP	NA	NA
+PJ077349	VVVKRRR 	C39H77N17O8	911.6141	NA	PeJP	NA	NA
+PJ077350	ALLKRRR 	C39H77N17O8	911.6142	NA	PeJP	NA	NA
+PJ077351	ATLLLLLR 	C43H81N11O10	911.6168	NA	PeJP	NA	NA
+PJ077352	AALLLKKR 	C42H81N13O9	911.6281	NA	PeJP	NA	NA
+PJ077353	VLLKKRR 	C41H81N15O8	911.6393	NA	PeJP	NA	NA
+PJ077354	SLLLLLLK 	C45H85N9O10	911.642	NA	PeJP	NA	NA
+PJ077355	GLLLLKKK 	C44H85N11O9	911.6532	NA	PeJP	NA	NA
+HMDB09773	PE(24:1(15Z)/24:1(15Z))	C53H102NO8P	911.734314	NA	HMDB2010	NA	NA
+2852	NA	YGGFTGARKSARKLANQ	911.97945	MH2+	Inhouse_peptide	NA	peptide
+2942	NA	YGGFTGARKSARKLANQ	911.97945	MH2+	Inhouse_peptide	NA	peptide
+MJ097522	Samarangenin A; 3-O-(3,4,5-Trihydroxybenzoyl) 	C44H32O22	912.138522	NA	MeJP	NA	NA
+PJ077356	CCCCCCEF 	C32H48N8O11S6	912.1767	NA	PeJP	NA	NA
+PJ077357	CCCCDDDH 	C30H44N10O15S4	912.1871	NA	PeJP	NA	NA
+PJ077358	SCCCCCEY 	C32H48N8O13S5	912.1945	NA	PeJP	NA	NA
+MJ097523	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) 	C42H41O23(+)	912.196037	NA	MeJP	NA	NA
+PJ077359	GCCCCMMY 	C33H52N8O10S6	912.2131	NA	PeJP	NA	NA
+PJ077360	CCCCCNQH 	C30H48N12O11S5	912.2169	NA	PeJP	NA	NA
+PJ077361	GGCCCCCQH 	C30H48N12O11S5	912.217	NA	PeJP	NA	NA
+PJ077362	CCNNDDDD 	C30H44N10O19S2	912.2226	NA	PeJP	NA	NA
+PJ077363	SCCCDDMH 	C31H48N10O14S4	912.2235	NA	PeJP	NA	NA
+PJ077364	GCCCCDFY 	C36H48N8O12S4	912.2275	NA	PeJP	NA	NA
+PJ077365	SCDDDDDE 	C31H44N8O22S	912.2291	NA	PeJP	NA	NA
+PJ077366	PCCDDDDM 	C32H48N8O17S3	912.23	NA	PeJP	NA	NA
+PJ077367	STCCCCMY 	C33H52N8O12S5	912.2309	NA	PeJP	NA	NA
+PJ077368	GSSCCCCNH 	C30H48N12O13S4	912.2347	NA	PeJP	NA	NA
+PJ077369	GSPCCCNDD 	C31H48N10O16S3	912.2412	NA	PeJP	NA	NA
+PJ077370	GCCCEMMH 	C32H52N10O11S5	912.2421	NA	PeJP	NA	NA
+PJ077371	GSCCCDYY 	C36H48N8O14S3	912.2452	NA	PeJP	NA	NA
+PJ077372	GCCCCMFF 	C37H52N8O9S5	912.2461	NA	PeJP	NA	NA
+PJ077373	GDDDDDMM 	C32H48N8O19S2	912.2478	NA	PeJP	NA	NA
+PJ077374	CCCNNNNE 	C30H48N12O15S3	912.2525	NA	PeJP	NA	NA
+PJ077375	CCCCCNKH 	C31H52N12O10S5	912.2533	NA	PeJP	NA	NA
+PJ077376	GCCCDEHF 	C35H48N10O13S3	912.2565	NA	PeJP	NA	NA
+PJ077377	CCCMMHW 	C36H52N10O8S5	912.2574	NA	PeJP	NA	NA
+PJ077378	SCNNDDDM 	C31H48N10O18S2	912.259	NA	PeJP	NA	NA
+PJ077379	SSCCDMMH 	C32H52N10O13S4	912.2599	NA	PeJP	NA	NA
+PJ077380	ACCCCHHH 	C33H48N14O9S4	912.2612	NA	PeJP	NA	NA
+PJ077381	GDDDDDDF 	C35H44N8O21	912.2622	NA	PeJP	NA	NA
+PJ077382	CDDDEMW 	C36H48N8O16S2	912.263	NA	PeJP	NA	NA
+PJ077383	CCCQMYY 	C37H52N8O11S4	912.2639	NA	PeJP	NA	NA
+PJ077384	SSDDDDEM 	C32H48N8O21S	912.2655	NA	PeJP	NA	NA
+PJ077385	SPCDDDMM 	C33H52N8O16S3	912.2664	NA	PeJP	NA	NA
+MetaCyc04297	methenyl-tetrahydrosarcinapterin [5,10-methenyl-tetrahydrosarcinapterin;5,10-methenyl-H4SPT;methenyl-H4SPT;]	C36H47N7O19P1	912.266434	NA	metacyc	NA	NA
+PJ077386	GCDDDDHH 	C33H44N12O17S	912.2669	NA	PeJP	NA	NA
+PJ077387	PPCCCEMM 	C34H56N8O11S5	912.2673	NA	PeJP	NA	NA
+PJ077388	GCCCNNNW 	C34H48N12O12S3	912.2677	NA	PeJP	NA	NA
+MJ097524	Shegansu C 	C44H48O21	912.268808	NA	MeJP	NA	NA
+PJ077389	GSSCCNNND 	C30H48N12O17S2	912.2702	NA	PeJP	NA	NA
+PJ077390	PCCCCNDR 	C31H52N12O12S4	912.2711	NA	PeJP	NA	NA
+PJ077391	CCCDHFW 	C39H48N10O10S3	912.2717	NA	PeJP	NA	NA
+PJ077392	GSCCNDEW 	C35H48N10O15S2	912.2742	NA	PeJP	NA	NA
+PJ077393	GGGSCCDEW 	C35H48N10O15S2	912.2743	NA	PeJP	NA	NA
+PJ077394	GPCCCNMW 	C36H52N10O10S4	912.2751	NA	PeJP	NA	NA
+PJ077395	GSSSCNDDE 	C31H48N10O20S	912.2767	NA	PeJP	NA	NA
+PJ077396	GGGSSSCDDE 	C31H48N10O20S	912.2768	NA	PeJP	NA	NA
+PJ077397	GCNNDEMM 	C32H52N10O15S3	912.2776	NA	PeJP	NA	NA
+PJ077398	GTCCMMMH 	C33H56N10O10S5	912.2785	NA	PeJP	NA	NA
+PJ077399	SSCCCHHH 	C33H48N14O11S3	912.279	NA	PeJP	NA	NA
+PJ077400	GPCDDDEY 	C36H48N8O18S	912.2808	NA	PeJP	NA	NA
+PJ077401	GSSCCMYY 	C37H52N8O13S3	912.2816	NA	PeJP	NA	NA
+PJ077402	GSDDEEMM 	C33H52N8O18S2	912.2841	NA	PeJP	NA	NA
+PJ077403	GPCDEMMM 	C34H56N8O13S4	912.285	NA	PeJP	NA	NA
+MJ097525	Rubroside H; 21-Dechloro, 2'-O-[5-deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] 	C42H54Cl2N2O16	912.285039	NA	MeJP	NA	NA
+MJ097526	Rubroside H; 21-Dechloro, 20Z-isomer, 22-epimer, 2'-O-[5-deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] 	C42H54Cl2N2O16	912.285039	NA	MeJP	NA	NA
+PJ077404	SPCCDDHH 	C34H48N12O14S2	912.2855	NA	PeJP	NA	NA
+PJ077405	SCCNNNQM 	C31H52N12O14S3	912.2888	NA	PeJP	NA	NA
+PJ077406	GCCNDDMR 	C31H52N12O14S3	912.2889	NA	PeJP	NA	NA
+PJ077407	SCCNDWW 	C39H48N10O12S2	912.2895	NA	PeJP	NA	NA
+PJ077408	SSSCNDDW 	C35H48N10O17S	912.292	NA	PeJP	NA	NA
+PJ077409	CNNDMMW 	C36H52N10O12S3	912.2929	NA	PeJP	NA	NA
+PJ077410	SSSSSNDDD 	C31H48N10O22	912.2945	NA	PeJP	NA	NA
+PJ077411	SSNNDDMM 	C32H52N10O17S2	912.2954	NA	PeJP	NA	NA
+PJ077412	PCDDDYW 	C40H48N8O15S	912.296	NA	PeJP	NA	NA
+PJ077413	SSSCMMMH 	C33H56N10O12S4	912.2962	NA	PeJP	NA	NA
+PJ077414	GGGGPTCCMM 	C33H56N10O12S4	912.2963	NA	PeJP	NA	NA
+PJ077415	GCCNNEHH 	C33H48N14O13S2	912.2967	NA	PeJP	NA	NA
+PJ077416	CCCQFFY 	C41H52N8O10S3	912.2969	NA	PeJP	NA	NA
+PJ077417	NDDEEEY 	C36H48N8O20	912.2985	NA	PeJP	NA	NA
+PJ077418	SDDEMMW 	C37H52N8O15S2	912.2994	NA	PeJP	NA	NA
+PJ077419	SCCCNNNR 	C30H52N14O13S3	912.3001	NA	PeJP	NA	NA
+PJ077420	PCDMMMW 	C38H56N8O10S4	912.3003	NA	PeJP	NA	NA
+PJ077421	SSSDEEEM 	C33H52N8O20S	912.3019	NA	PeJP	NA	NA
+PJ077422	NEEEMMM 	C34H56N8O15S3	912.3028	NA	PeJP	NA	NA
+PJ077423	GCNNNNDY 	C34H48N12O16S	912.3032	NA	PeJP	NA	NA
+PJ077424	GGGGGGGCNDY 	C34H48N12O16S	912.3033	NA	PeJP	NA	NA
+PJ077425	PPTCCMMM 	C35H60N8O10S5	912.3036	NA	PeJP	NA	NA
+PJ077426	CCCNERW 	C35H52N12O11S3	912.3041	NA	PeJP	NA	NA
+PJ077427	SSCCNDER 	C31H52N12O16S2	912.3066	NA	PeJP	NA	NA
+PJ077428	CNNDDFW 	C39H48N10O14S	912.3073	NA	PeJP	NA	NA
+PJ077429	SPCCCNMR 	C32H56N12O11S4	912.3075	NA	PeJP	NA	NA
+PJ077430	GCCQMWW 	C40H52N10O9S3	912.3081	NA	PeJP	NA	NA
+PJ077431	DDDDDRY 	C35H48N10O19	912.3098	NA	PeJP	NA	NA
+PJ077432	GSSCNEMW 	C36H52N10O14S2	912.3106	NA	PeJP	NA	NA
+PJ077433	APCCCCKW 	C37H56N10O9S4	912.3115	NA	PeJP	NA	NA
+PJ077434	CCNNHHW 	C37H48N14O10S2	912.312	NA	PeJP	NA	NA
+PJ077435	GSSSSNDEM 	C32H52N10O19S	912.3131	NA	PeJP	NA	NA
+PJ077436	GDDEEYW 	C40H48N8O17	912.3138	NA	PeJP	NA	NA
+PJ077437	DDDMMMR 	C33H56N10O14S3	912.314	NA	PeJP	NA	NA
+PJ077438	SSCNNDHH 	C33H48N14O15S	912.3145	NA	PeJP	NA	NA
+PJ077439	GCNMYYY 	C41H52N8O12S2	912.3146	NA	PeJP	NA	NA
+PJ077440	PCDDMFW 	C41H52N8O12S2	912.3147	NA	PeJP	NA	NA
+PJ077441	APTCDDEY 	C37H52N8O17S	912.3171	NA	PeJP	NA	NA
+PJ077442	GSPDDEMY 	C37H52N8O17S	912.3172	NA	PeJP	NA	NA
+PJ077443	GEEMMMW 	C38H56N8O12S3	912.318	NA	PeJP	NA	NA
+PJ077444	SCDEHHW 	C38H48N12O13S	912.3185	NA	PeJP	NA	NA
+PJ077445	GCCCRWW 	C39H52N12O8S3	912.3194	NA	PeJP	NA	NA
+PJ077446	GSTEEEMM 	C34H56N8O17S2	912.3205	NA	PeJP	NA	NA
+PJ077447	SSSDDEHH 	C34H48N12O18	912.321	NA	PeJP	NA	NA
+PJ077448	GSPEMMMM 	C35H60N8O12S4	912.3214	NA	PeJP	NA	NA
+PJ077449	GSSCCDRW 	C35H52N12O13S2	912.3219	NA	PeJP	NA	NA
+PJ077450	SSSSSCNNQ 	C31H52N12O18S	912.3243	NA	PeJP	NA	NA
+PJ077451	GSSSSCDDR 	C31H52N12O18S	912.3244	NA	PeJP	NA	NA
+PJ077452	SNNDDYW 	C39H48N10O16	912.325	NA	PeJP	NA	NA
+PJ077453	GSCNDMMR 	C32H56N12O13S3	912.3252	NA	PeJP	NA	NA
+PJ077454	GGGGGGSCCKM 	C32H56N12O13S3	912.3253	NA	PeJP	NA	NA
+PJ077455	SSCNMWW 	C40H52N10O11S2	912.3259	NA	PeJP	NA	NA
+PJ077456	SSSSNDMW 	C36H52N10O16S	912.3284	NA	PeJP	NA	NA
+PJ077457	DDEYWW 	C44H48N8O14	912.329	NA	PeJP	NA	NA
+PJ077458	SNNMMMW 	C37H56N10O11S3	912.3292	NA	PeJP	NA	NA
+PJ077459	GGSNMMMW 	C37H56N10O11S3	912.3293	NA	PeJP	NA	NA
+PJ077460	SSSSSSNEE 	C32H52N10O21	912.3309	NA	PeJP	NA	NA
+PJ077461	SSSNQEMM 	C33H56N10O16S2	912.3317	NA	PeJP	NA	NA
+PJ077462	GGSSSQEMM 	C33H56N10O16S2	912.3318	NA	PeJP	NA	NA
+PJ077463	GNNNNDEH 	C33H48N14O17	912.3322	NA	PeJP	NA	NA
+PJ077464	GGGGGGGNDEH 	C33H48N14O17	912.3323	NA	PeJP	NA	NA
+PJ077465	SPDDMYW 	C41H52N8O14S	912.3324	NA	PeJP	NA	NA
+PJ077466	NQQMMMM 	C34H60N10O11S4	912.3326	NA	PeJP	NA	NA
+PJ077467	CDDMHHR 	C34H52N14O12S2	912.3331	NA	PeJP	NA	NA
+PJ077468	EMMMWW 	C42H56N8O9S3	912.3333	NA	PeJP	NA	NA
+PJ077469	SQEEEEY 	C37H52N8O19	912.3349	NA	PeJP	NA	NA
+PJ077470	STEEMMW 	C38H56N8O14S2	912.3358	NA	PeJP	NA	NA
+PJ077471	NDDEHHF 	C38H48N12O15	912.3362	NA	PeJP	NA	NA
+PJ077472	GGDDEHHF 	C38H48N12O15	912.3363	NA	PeJP	NA	NA
+PJ077473	GSCCCERR 	C31H56N14O12S3	912.3365	NA	PeJP	NA	NA
+PJ077474	SPMMMMW 	C39H60N8O9S4	912.3366	NA	PeJP	NA	NA
+PJ077475	GPPCMMMF 	C39H60N8O9S4	912.3367	NA	PeJP	NA	NA
+PJ077476	GDMMHHW 	C39H52N12O10S2	912.3371	NA	PeJP	NA	NA
+PJ077477	SSTTEEEM 	C34H56N8O19S	912.3383	NA	PeJP	NA	NA
+PJ077478	AATEEMMM 	C35H60N8O14S3	912.3391	NA	PeJP	NA	NA
+PJ077479	DKEEMMM 	C35H60N8O14S3	912.3392	NA	PeJP	NA	NA
+PJ077480	CNNDERY 	C35H52N12O15S	912.3396	NA	PeJP	NA	NA
+PJ077481	AAPMMMMM 	C36H64N8O9S5	912.34	NA	PeJP	NA	NA
+PJ077482	SCCQMRW 	C36H56N12O10S3	912.3405	NA	PeJP	NA	NA
+PJ077483	CNEHHHH 	C36H48N16O11S	912.341	NA	PeJP	NA	NA
+PJ077484	ACCHFFW 	C44H52N10O8S2	912.3411	NA	PeJP	NA	NA
+PJ077485	GSSSSSSSNN 	C31H52N12O20	912.3421	NA	PeJP	NA	NA
+PJ077486	SSSCNEMR 	C32H56N12O15S2	912.343	NA	PeJP	NA	NA
+PJ077487	GSSSTCWW 	C40H52N10O13S	912.3436	NA	PeJP	NA	NA
+PJ077488	GGGGGEMYW 	C40H52N10O13S	912.3437	NA	PeJP	NA	NA
+PJ077489	CNQMMMR 	C33H60N12O10S4	912.3438	NA	PeJP	NA	NA
+PJ077490	GGCQMMMR 	C33H60N12O10S4	912.3439	NA	PeJP	NA	NA
+PJ077491	GSCCNHHR 	C33H52N16O11S2	912.3443	NA	PeJP	NA	NA
+PJ077492	GCCKMWW 	C41H56N10O8S3	912.3445	NA	PeJP	NA	NA
+MJ097527	Chaetiacandin; 7-O-Sulfate 	C43H60O19S	912.34495	NA	MeJP	NA	NA
+PJ077493	GSSSSSSEW 	C36H52N10O18	912.3461	NA	PeJP	NA	NA
+PJ077494	GGGGGSTEEY 	C36H52N10O18	912.3462	NA	PeJP	NA	NA
+PJ077495	GSSSQMMW 	C37H56N10O13S2	912.347	NA	PeJP	NA	NA
+PJ077496	NNNNDHW 	C37H48N14O14	912.3475	NA	PeJP	NA	NA
+PJ077497	DEMFWW 	C45H52N8O11S	912.3477	NA	PeJP	NA	NA
+PJ077498	GSSSSTQEM 	C33H56N10O18S	912.3495	NA	PeJP	NA	NA
+PJ077499	GSSSSYYY 	C41H52N8O16	912.3501	NA	PeJP	NA	NA
+PJ077500	GTEEEYW 	C41H52N8O16	912.3502	NA	PeJP	NA	NA
+PJ077501	SEEMMMR 	C34H60N10O13S3	912.3504	NA	PeJP	NA	NA
+PJ077502	SSSNNMHH 	C34H52N14O14S	912.3508	NA	PeJP	NA	NA
+PJ077503	GPCNDDHR 	C34H52N14O14S	912.3509	NA	PeJP	NA	NA
+PJ077504	GPEMMYW 	C42H56N8O11S2	912.351	NA	PeJP	NA	NA
+PJ077505	GDDHHFW 	C42H48N12O12	912.3515	NA	PeJP	NA	NA
+PJ077506	SCCCRRW 	C35H56N14O9S3	912.3517	NA	PeJP	NA	NA
+MJ097528	Virotoxin; Viroisin 	C38H56N8O16S	912.353498	NA	MeJP	NA	NA
+PJ077507	VNEEEMY 	C38H56N8O16S	912.3535	NA	PeJP	NA	NA
+PJ077508	EEFYYY 	C46H52N6O14	912.3542	NA	PeJP	NA	NA
+PJ077509	SVEMMMW 	C39H60N8O11S3	912.3544	NA	PeJP	NA	NA
+PJ077510	GCNDRYW 	C39H52N12O12S	912.3549	NA	PeJP	NA	NA
+PJ077511	CCNMMRR 	C32H60N14O9S4	912.3551	NA	PeJP	NA	NA
+PJ077512	GCHHHHW 	C40H48N16O8S	912.3562	NA	PeJP	NA	NA
+PJ077513	SSSLEEMM 	C35H60N8O16S2	912.3569	NA	PeJP	NA	NA
+PJ077514	GSSNDDRY 	C35H52N12O17	912.3574	NA	PeJP	NA	NA
+PJ077515	LQEMMMM 	C36H64N8O11S4	912.3578	NA	PeJP	NA	NA
+PJ077516	GSSSCMRW 	C36H56N12O12S2	912.3582	NA	PeJP	NA	NA
+PJ077517	GGGPTCCRY 	C36H56N12O12S2	912.3583	NA	PeJP	NA	NA
+PJ077518	GSSDHHHH 	C36H48N16O13	912.3587	NA	PeJP	NA	NA
+PJ077519	NNMYWW 	C44H52N10O10S	912.3589	NA	PeJP	NA	NA
+PJ077520	GSSSSSDMR 	C32H56N12O17S	912.3607	NA	PeJP	NA	NA
+PJ077521	GGGGSSSSSCK 	C32H56N12O17S	912.3608	NA	PeJP	NA	NA
+PJ077522	SSSSSSWW 	C40H52N10O15	912.3614	NA	PeJP	NA	NA
+PJ077523	GSSNMMMR 	C33H60N12O12S3	912.3616	NA	PeJP	NA	NA
+PJ077524	STCCKWW 	C41H56N10O10S2	912.3623	NA	PeJP	NA	NA
+PJ077525	SSSSTQMW 	C37H56N10O15S	912.3648	NA	PeJP	NA	NA
+PJ077526	TEEYWW 	C45H52N8O13	912.3654	NA	PeJP	NA	NA
+PJ077527	SCQKMMW 	C38H60N10O10S3	912.3656	NA	PeJP	NA	NA
+PJ077528	GGAPCCKMF 	C38H60N10O10S3	912.3657	NA	PeJP	NA	NA
+PJ077529	NNNMHHF 	C38H52N14O11S	912.3661	NA	PeJP	NA	NA
+PJ077530	PMMYWW 	C46H56N8O8S2	912.3663	NA	PeJP	NA	NA
+PJ077531	SSSSSTTQE 	C33H56N10O20	912.3672	NA	PeJP	NA	NA
+PJ077532	SSSSSSDKE 	C33H56N10O20	912.3673	NA	PeJP	NA	NA
+PJ077533	SSSNKEMM 	C34H60N10O15S2	912.3681	NA	PeJP	NA	NA
+PJ077534	NNDEEHR 	C34H52N14O16	912.3686	NA	PeJP	NA	NA
+PJ077535	GVEEMYW 	C42H56N8O13S	912.3688	NA	PeJP	NA	NA
+PJ077536	VDMMMMR 	C35H64N10O10S4	912.369	NA	PeJP	NA	NA
+PJ077537	CCNDFRR 	C35H56N14O11S2	912.3695	NA	PeJP	NA	NA
+PJ077538	APMMMFW 	C43H60N8O8S3	912.3697	NA	PeJP	NA	NA
+PJ077539	GPCQHWW 	C43H52N12O9S	912.3701	NA	PeJP	NA	NA
+PJ077540	SKEEEEY 	C38H56N8O18	912.3713	NA	PeJP	NA	NA
+PJ077541	PDKEMMY 	C39H60N8O13S2	912.3722	NA	PeJP	NA	NA
+PJ077542	GQQEEHW 	C39H52N12O14	912.3726	NA	PeJP	NA	NA
+PJ077543	GGGAAEEHW 	C39H52N12O14	912.3727	NA	PeJP	NA	NA
+PJ077544	GSTCCMRR 	C32H60N14O11S3	912.3729	NA	PeJP	NA	NA
+PJ077545	ALMMMMW 	C40H64N8O8S4	912.373	NA	PeJP	NA	NA
+PJ077546	GCNMFRW 	C40H56N12O9S2	912.3735	NA	PeJP	NA	NA
+PJ077547	TTTTTEEM 	C35H60N8O18S	912.3747	NA	PeJP	NA	NA
+PJ077548	GTTLEMMM 	C36H64N8O13S3	912.3755	NA	PeJP	NA	NA
+MJ097529	Antibiotic SQ 28516; 6'-Amide 	C36H56N12O14S	912.375965	NA	MeJP	NA	NA
+PJ077549	SSSSTCRW 	C36H56N12O14S	912.376	NA	PeJP	NA	NA
+PJ077550	GSSQYWW 	C44H52N10O12	912.3766	NA	PeJP	NA	NA
+PJ077551	GGGSTYWW 	C44H52N10O12	912.3767	NA	PeJP	NA	NA
+PJ077552	SCCKMRW 	C37H60N12O9S3	912.3769	NA	PeJP	NA	NA
+PJ077553	SQMHHHH 	C37H52N16O10S	912.3773	NA	PeJP	NA	NA
+PJ077554	GGTMHHHH 	C37H52N16O10S	912.3774	NA	PeJP	NA	NA
+PJ077555	SSSSSSSER 	C32H56N12O19	912.3785	NA	PeJP	NA	NA
+PJ077556	SSSSQMMR 	C33H60N12O14S2	912.3794	NA	PeJP	NA	NA
+PJ077557	GSNNNDHR 	C33H52N16O15	912.3798	NA	PeJP	NA	NA
+PJ077558	GGGSNNDHR 	C33H52N16O15	912.3799	NA	PeJP	NA	NA
+PJ077559	EEMRYW 	C41H56N10O12S	912.38	NA	PeJP	NA	NA
+PJ077560	CNKMMMR 	C34H64N12O9S4	912.3802	NA	PeJP	NA	NA
+PJ077561	GGCKMMMR 	C34H64N12O9S4	912.3803	NA	PeJP	NA	NA
+PJ077562	PDFYWW 	C49H52N8O10	912.3807	NA	PeJP	NA	NA
+PJ077563	PPCHHHW 	C42H52N14O8S	912.3814	NA	PeJP	NA	NA
+PJ077564	GSSSSTTTW 	C37H56N10O17	912.3825	NA	PeJP	NA	NA
+PJ077565	GGGAAPPEEE 	C37H56N10O17	912.3826	NA	PeJP	NA	NA
+PJ077566	GSSSKMMW 	C38H60N10O12S2	912.3834	NA	PeJP	NA	NA
+PJ077567	GNDEHRW 	C38H52N14O13	912.3839	NA	PeJP	NA	NA
+PJ077568	VEMYWW 	C46H56N8O10S	912.384	NA	PeJP	NA	NA
+PJ077569	GPEMFFW 	C46H56N8O10S	912.3841	NA	PeJP	NA	NA
+PJ077570	GSSSSTKEM 	C34H60N10O17S	912.3859	NA	PeJP	NA	NA
+PJ077571	SSLEEYW 	C42H56N8O15	912.3865	NA	PeJP	NA	NA
+PJ077572	GGPVEEYY 	C42H56N8O15	912.3866	NA	PeJP	NA	NA
+PJ077573	GSTQKMMM 	C35H64N10O12S3	912.3868	NA	PeJP	NA	NA
+PJ077574	SCNDRRY 	C35H56N14O13S	912.3872	NA	PeJP	NA	NA
+PJ077575	GGGSPDMHR 	C35H56N14O13S	912.3873	NA	PeJP	NA	NA
+PJ077576	SPVMMYW 	C43H60N8O10S2	912.3874	NA	PeJP	NA	NA
+PJ077577	QQEHWW 	C43H52N12O11	912.3879	NA	PeJP	NA	NA
+PJ077578	AMMMHHR 	C36H60N14O8S3	912.3881	NA	PeJP	NA	NA
+PJ077579	SCHHHHR 	C36H52N18O9S	912.3886	NA	PeJP	NA	NA
+PJ077580	VDKEEMY 	C39H60N8O15S	912.3899	NA	PeJP	NA	NA
+PJ077581	LEYYYY 	C47H56N6O13	912.3906	NA	PeJP	NA	NA
+PJ077582	TTLMMMW 	C40H64N8O10S3	912.3908	NA	PeJP	NA	NA
+PJ077583	ASCQRYW 	C40H56N12O11S	912.3912	NA	PeJP	NA	NA
+PJ077584	GSNMRYW 	C40H56N12O11S	912.3913	NA	PeJP	NA	NA
+PJ077585	NNFFWW 	C48H52N10O9	912.3919	NA	PeJP	NA	NA
+PJ077586	STTTLEMM 	C36H64N8O15S2	912.3933	NA	PeJP	NA	NA
+PJ077587	SSSNNNKY 	C36H56N12O16	912.3937	NA	PeJP	NA	NA
+PJ077588	GSSSQERY 	C36H56N12O16	912.3938	NA	PeJP	NA	NA
+PJ077589	LKEMMMM 	C37H68N8O10S4	912.3942	NA	PeJP	NA	NA
+PJ077590	GQQMMRY 	C37H60N12O11S2	912.3946	NA	PeJP	NA	NA
+PJ077591	GGGGGCCKKF 	C37H60N12O11S2	912.3947	NA	PeJP	NA	NA
+PJ077592	PDDHHHR 	C37H52N16O12	912.3951	NA	PeJP	NA	NA
+PJ077593	CQKYWW 	C45H56N10O9S	912.3953	NA	PeJP	NA	NA
+PJ077594	GSSSSTTMR 	C33H60N12O16S	912.3971	NA	PeJP	NA	NA
+PJ077595	SSNKEYW 	C41H56N10O14	912.3978	NA	PeJP	NA	NA
+PJ077596	GSTCKMMR 	C34H64N12O11S3	912.398	NA	PeJP	NA	NA
+PJ077597	NNNQMHR 	C34H56N16O12S	912.3985	NA	PeJP	NA	NA
+PJ077598	ACQKMFW 	C42H60N10O9S2	912.3986	NA	PeJP	NA	NA
+PJ077599	GNKMMFW 	C42H60N10O9S2	912.3987	NA	PeJP	NA	NA
+MJ097530	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[6-Deoxy-?-L-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-Ac 	C44H64O20	912.399094	NA	MeJP	NA	NA
+MJ097531	3,14,16-Trihydroxybufa-4,20,22-trienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-glucopyranoside], 16-Ac 	C44H64O20	912.399094	NA	MeJP	NA	NA
+MJ097532	Thevetiogenin; 19-Oxo, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-2-O-acetyl-6-deoxy-3-O-methyl-?-L-glucopyranoside] 	C44H64O20	912.399094	NA	MeJP	NA	NA
+PJ077600	NDHRWW 	C42H52N14O10	912.3991	NA	PeJP	NA	NA
+PJ077601	PMFFWW 	C50H56N8O7S	912.3993	NA	PeJP	NA	NA
+PJ077602	SSSSTKMW 	C38H60N10O14S	912.4011	NA	PeJP	NA	NA
+PJ077603	SVEEMRY 	C38H60N10O14S	912.4012	NA	PeJP	NA	NA
+MJ097533	Microsclerodermin H; 2',3'-Didehydro(Z-) 	C46H56N8O12	912.401769	NA	MeJP	NA	NA
+PJ077604	GPVEYYW 	C46H56N8O12	912.4018	NA	PeJP	NA	NA
+PJ077605	SCKKMMW 	C39H64N10O9S3	912.402	NA	PeJP	NA	NA
+PJ077606	SPCQHRW 	C39H56N14O10S	912.4025	NA	PeJP	NA	NA
+PJ077607	LMMFWW 	C47H60N8O7S2	912.4027	NA	PeJP	NA	NA
+PJ077608	AQHWWW 	C47H52N12O8	912.4031	NA	PeJP	NA	NA
+PJ077609	GAAHWWW 	C47H52N12O8	912.4032	NA	PeJP	NA	NA
+PJ077610	SSSSSTTKE 	C34H60N10O19	912.4036	NA	PeJP	NA	NA
+PJ077611	SSSDKKMM 	C35H64N10O14S2	912.4045	NA	PeJP	NA	NA
+PJ077612	SQQEEHR 	C35H56N14O15	912.405	NA	PeJP	NA	NA
+PJ077613	ATLEMYW 	C43H60N8O12S	912.4052	NA	PeJP	NA	NA
+PJ077614	TLMMMMR 	C36H68N10O9S4	912.4054	NA	PeJP	NA	NA
+PJ077615	GCQMRRY 	C36H60N14O10S2	912.4059	NA	PeJP	NA	NA
+PJ077616	GPCKHWW 	C44H56N12O8S	912.4065	NA	PeJP	NA	NA
+PJ077617	GTTTLEEY 	C39H60N8O17	912.4077	NA	PeJP	NA	NA
+PJ077618	VLQEMMY 	C40H64N8O12S2	912.4085	NA	PeJP	NA	NA
+PJ077619	GGLLEMMY 	C40H64N8O12S2	912.4086	NA	PeJP	NA	NA
+PJ077620	SSSQRYW 	C40H56N12O13	912.409	NA	PeJP	NA	NA
+PJ077621	GGGGGGGGPPPF 	C40H56N12O13	912.4091	NA	PeJP	NA	NA
+PJ077622	CNNNHRR 	C33H56N18O11S	912.4097	NA	PeJP	NA	NA
+PJ077623	ACCKFRW 	C41H60N12O8S2	912.4099	NA	PeJP	NA	NA
+PJ077624	AQHHHHF 	C41H52N16O9	912.4104	NA	PeJP	NA	NA
+PJ077625	SSTLLMMM 	C37H68N8O12S3	912.4119	NA	PeJP	NA	NA
+PJ077626	SNDKMRY 	C37H60N12O13S	912.4124	NA	PeJP	NA	NA
+PJ077627	GSSKYWW 	C45H56N10O11	912.413	NA	PeJP	NA	NA
+PJ077628	GAAPPEWW 	C45H56N10O11	912.4131	NA	PeJP	NA	NA
+PJ077629	VKMMMHH 	C38H64N12O8S3	912.4133	NA	PeJP	NA	NA
+PJ077630	SKMHHHH 	C38H56N16O9S	912.4137	NA	PeJP	NA	NA
+PJ077631	SSSSSTTTR 	C33H60N12O18	912.4149	NA	PeJP	NA	NA
+PJ077632	SSSSKMMR 	C34H64N12O13S2	912.4157	NA	PeJP	NA	NA
+PJ077633	SNDEHRR 	C34H56N16O14	912.4162	NA	PeJP	NA	NA
+PJ077634	GGGGGGGTTHR 	C34H56N16O14	912.4163	NA	PeJP	NA	NA
+PJ077635	GTQKMYW 	C42H60N10O11S	912.4164	NA	PeJP	NA	NA
+PJ077636	PVYYWW 	C50H56N8O9	912.4171	NA	PeJP	NA	NA
+PJ077637	MHHFRW 	C43H56N14O7S	912.4178	NA	PeJP	NA	NA
+PJ077638	GSSDKKEY 	C38H60N10O16	912.4189	NA	PeJP	NA	NA
+PJ077639	ALEMMRY 	C39H64N10O11S2	912.4198	NA	PeJP	NA	NA
+PJ077640	GTQEHRW 	C39H56N14O12	912.4202	NA	PeJP	NA	NA
+PJ077641	GGATEHRW 	C39H56N14O12	912.4203	NA	PeJP	NA	NA
+PJ077642	GPLMFYW 	C47H60N8O9S	912.4204	NA	PeJP	NA	NA
+PJ077643	SSSSSSLKM 	C35H64N10O16S	912.4223	NA	PeJP	NA	NA
+PJ077644	TTTLEYW 	C43H60N8O14	912.4229	NA	PeJP	NA	NA
+PJ077645	GSTKKMMM 	C36H68N10O11S3	912.4232	NA	PeJP	NA	NA
+PJ077646	SSNMRRY 	C36H60N14O12S	912.4236	NA	PeJP	NA	NA
+PJ077647	GGGGGGAPPMR 	C36H60N14O12S	912.4237	NA	PeJP	NA	NA
+PJ077648	GLLMMYW 	C44H64N8O9S2	912.4238	NA	PeJP	NA	NA
+PJ077649	GPPDRWW 	C44H56N12O10	912.4243	NA	PeJP	NA	NA
+PJ077650	TLKEEMY 	C40H64N8O14S	912.4263	NA	PeJP	NA	NA
+PJ077651	PLKMMMY 	C41H68N8O9S3	912.4272	NA	PeJP	NA	NA
+PJ077652	GTCKRYW 	C41H60N12O10S	912.4276	NA	PeJP	NA	NA
+PJ077653	GPPPTCRW 	C41H60N12O10S	912.4277	NA	PeJP	NA	NA
+PJ077654	AAPPWWW 	C49H56N10O8	912.4283	NA	PeJP	NA	NA
+PJ077655	GSSSKERY 	C37H60N12O15	912.4301	NA	PeJP	NA	NA
+PJ077656	TLEEEHR 	C37H60N12O15	912.4302	NA	PeJP	NA	NA
+PJ077657	GQKMMRY 	C38H64N12O10S2	912.431	NA	PeJP	NA	NA
+PJ077658	GSDHRRW 	C38H56N16O11	912.4315	NA	PeJP	NA	NA
+PJ077659	CKKYWW 	C46H60N10O8S	912.4317	NA	PeJP	NA	NA
+PJ077660	SSDKKYW 	C42H60N10O13	912.4342	NA	PeJP	NA	NA
+PJ077661	NNNKMHR 	C35H60N16O11S	912.4348	NA	PeJP	NA	NA
+PJ077662	GQEMHRR 	C35H60N16O11S	912.4349	NA	PeJP	NA	NA
+PJ077663	ACKKMFW 	C43H64N10O8S2	912.435	NA	PeJP	NA	NA
+MJ097534	Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C45H68O19	912.435479	NA	MeJP	NA	NA
+PJ077664	TQHRWW 	C43H56N14O9	912.4355	NA	PeJP	NA	NA
+PJ077665	TTLEMRY 	C39H64N10O13S	912.4375	NA	PeJP	NA	NA
+PJ077666	AALLEEMH 	C39H64N10O13S	912.4376	NA	PeJP	NA	NA
+PJ077667	APTLYYW 	C47H60N8O11	912.4382	NA	PeJP	NA	NA
+PJ077668	VVMMMFR 	C40H68N10O8S3	912.4384	NA	PeJP	NA	NA
+PJ077669	GVQMHRW 	C40H60N14O9S	912.4389	NA	PeJP	NA	NA
+PJ077670	AKHWWW 	C48H56N12O7	912.4395	NA	PeJP	NA	NA
+PJ077671	SSSTTTTTK 	C35H64N10O18	912.44	NA	PeJP	NA	NA
+PJ077672	SSTTKKMM 	C36H68N10O13S2	912.4409	NA	PeJP	NA	NA
+PJ077673	GSSSTRRY 	C36H60N14O14	912.4414	NA	PeJP	NA	NA
+PJ077674	STLLMYW 	C44H64N8O11S	912.4415	NA	PeJP	NA	NA
+PJ077675	VTTLMYW 	C44H64N8O11S	912.4416	NA	PeJP	NA	NA
+PJ077676	GCKMRRY 	C37H64N14O9S2	912.4423	NA	PeJP	NA	NA
+PJ077677	AQQHHHR 	C37H56N18O10	912.4427	NA	PeJP	NA	NA
+PJ077678	SSTTLLEY 	C40H64N8O16	912.4441	NA	PeJP	NA	NA
+PJ077679	VLKEMMY 	C41H68N8O11S2	912.4449	NA	PeJP	NA	NA
+PJ077680	SSSKRYW 	C41H60N12O12	912.4454	NA	PeJP	NA	NA
+PJ077681	GCEHRRR 	C34H60N18O10S	912.4461	NA	PeJP	NA	NA
+PJ077682	AKHHHHF 	C42H56N16O8	912.4468	NA	PeJP	NA	NA
+PJ077683	STQKMRY 	C38H64N12O12S	912.4488	NA	PeJP	NA	NA
+PJ077684	APPKEWW 	C46H60N10O10	912.4494	NA	PeJP	NA	NA
+PJ077685	QMHRRW 	C39H60N16O8S	912.4501	NA	PeJP	NA	NA
+PJ077686	STQEHRR 	C35H60N16O13	912.4526	NA	PeJP	NA	NA
+PJ077687	GGGGGGGGGPKR 	C35H60N16O13	912.4527	NA	PeJP	NA	NA
+PJ077688	GTKKMYW 	C43H64N10O10S	912.4528	NA	PeJP	NA	NA
+PJ077689	VLFYWW 	C51H60N8O8	912.4534	NA	PeJP	NA	NA
+PJ077690	GPLFFFW 	C51H60N8O8	912.4535	NA	PeJP	NA	NA
+PJ077691	GNHHHRR 	C36H56N20O9	912.454	NA	PeJP	NA	NA
+PJ077692	GSTTKKEY 	C39H64N10O15	912.4553	NA	PeJP	NA	NA
+PJ077693	SLLMMRY 	C40H68N10O10S2	912.4562	NA	PeJP	NA	NA
+PJ077694	SPPDRRW 	C40H60N14O11	912.4566	NA	PeJP	NA	NA
+PJ077695	GGGGPVQRW 	C40H60N14O11	912.4567	NA	PeJP	NA	NA
+PJ077696	GLLMFFW 	C48H64N8O8S	912.4568	NA	PeJP	NA	NA
+3473	alpha-casomorphin (90-96)	RYLGYLE	912.458	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ077697	PTLKEYY 	C44H64N8O13	912.4593	NA	PeJP	NA	NA
+PJ077698	STCKRRY 	C37H64N14O11S	912.46	NA	PeJP	NA	NA
+PJ077699	PLKMMFF 	C45H68N8O8S2	912.4602	NA	PeJP	NA	NA
+PJ077700	APPTRWW 	C45H60N12O9	912.4607	NA	PeJP	NA	NA
+PJ077701	CHRRRW 	C38H60N18O7S	912.4614	NA	PeJP	NA	NA
+MJ097535	Cytorhodin X 	C48H68N2O15	912.461969	NA	MeJP	NA	NA
+PJ077702	SSSLLLMY 	C41H68N8O13S	912.4627	NA	PeJP	NA	NA
+PJ077703	LLKMMMF 	C42H72N8O8S3	912.4636	NA	PeJP	NA	NA
+PJ077704	SSDHRRR 	C34H60N18O12	912.4639	NA	PeJP	NA	NA
+PJ077705	PPVQMRW 	C42H64N12O9S	912.464	NA	PeJP	NA	NA
+PJ077706	GSTTTKRY 	C38H64N12O14	912.4665	NA	PeJP	NA	NA
+PJ077707	GGGPLLDER 	C38H64N12O14	912.4666	NA	PeJP	NA	NA
+PJ077708	GKKMMRY 	C39H68N12O9S2	912.4674	NA	PeJP	NA	NA
+PJ077709	GTTHRRW 	C39H60N16O10	912.4679	NA	PeJP	NA	NA
+PJ077710	STTKKYW 	C43H64N10O12	912.4705	NA	PeJP	NA	NA
+PJ077711	PPKKEEW 	C43H64N10O12	912.4706	NA	PeJP	NA	NA
+PJ077712	SVQMHRR 	C36H64N16O10S	912.4712	NA	PeJP	NA	NA
+PJ077713	PPCERRR 	C36H64N16O10S	912.4713	NA	PeJP	NA	NA
+MJ097536	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Xylopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester 	C46H72O18	912.471865	NA	MeJP	NA	NA
+MJ097537	3,8,11,12,14,15-Hexahydroxypregn-5-en-20-one, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside], 11,12-di-Ac 	C46H72O18	912.471865	NA	MeJP	NA	NA
+MJ097538	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11,12-Di-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C46H72O18	912.471865	NA	MeJP	NA	NA
+MJ097539	3-Hydroxy-12-oleanene-28,29-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranoside] 	C46H72O18	912.471865	NA	MeJP	NA	NA
+PJ077714	TKHRWW 	C44H60N14O8	912.4719	NA	PeJP	NA	NA
+PJ077715	SKKKEMY 	C40H68N10O12S	912.4739	NA	PeJP	NA	NA
+PJ077716	GVLLYYW 	C48H64N8O10	912.4746	NA	PeJP	NA	NA
+PJ077717	APPMRRW 	C41H64N14O8S	912.4753	NA	PeJP	NA	NA
+PJ077718	PVQEERR 	C37H64N14O13	912.4778	NA	PeJP	NA	NA
+PJ077719	PVLKMYY 	C45H68N8O10S	912.4779	NA	PeJP	NA	NA
+MJ097540	Enterococcus faecalis Sex pheromone cPD1 	C45H68N8O10S	912.477911	NA	MeJP	NA	NA
+PJ077720	GGLLLMFY 	C45H68N8O10S	912.478	NA	PeJP	NA	NA
+PJ077721	PPNHHRR 	C38H60N18O9	912.4791	NA	PeJP	NA	NA
+PJ077722	TTTTTLLY 	C41H68N8O15	912.4804	NA	PeJP	NA	NA
+PJ077723	APLLLEEE 	C41H68N8O15	912.4805	NA	PeJP	NA	NA
+PJ077724	PPTKERW 	C42H64N12O11	912.4818	NA	PeJP	NA	NA
+PJ077725	GTMHRRR 	C35H64N18O9S	912.4825	NA	PeJP	NA	NA
+PJ077726	STKKMRY 	C39H68N12O11S	912.4851	NA	PeJP	NA	NA
+PJ077727	GPPVKEMR 	C39H68N12O11S	912.4852	NA	PeJP	NA	NA
+PJ077728	SPPLKWW 	C47H64N10O9	912.4858	NA	PeJP	NA	NA
+PJ077729	KMHRRW 	C40H64N16O7S	912.4865	NA	PeJP	NA	NA
+PJ077730	APEERRR 	C36H64N16O12	912.489	NA	PeJP	NA	NA
+PJ077731	TLLLMHW 	C44H68N10O9S	912.4892	NA	PeJP	NA	NA
+PJ077732	SSSTLKKY 	C40H68N10O14	912.4917	NA	PeJP	NA	NA
+PJ077733	CLKKKMY 	C41H72N10O9S2	912.4926	NA	PeJP	NA	NA
+PJ077734	GPLERRW 	C41H64N14O10	912.493	NA	PeJP	NA	NA
+PJ077735	VVLKEYY 	C45H68N8O12	912.4957	NA	PeJP	NA	NA
+PJ077736	PPKEMRR 	C38H68N14O10S	912.4964	NA	PeJP	NA	NA
+PJ077737	APKKHFW 	C46H64N12O8	912.497	NA	PeJP	NA	NA
+PJ077738	GPVLRWW 	C46H64N12O8	912.4971	NA	PeJP	NA	NA
+PJ077739	PPTLLLEM 	C42H72N8O12S	912.4991	NA	PeJP	NA	NA
+PJ077740	STTHRRR 	C35H64N18O11	912.5002	NA	PeJP	NA	NA
+PJ077741	GGGGPTRRR 	C35H64N18O11	912.5003	NA	PeJP	NA	NA
+PJ077742	PPVKMRW 	C43H68N12O8S	912.5004	NA	PeJP	NA	NA
+PJ077743	AAPLKEER 	C39H68N12O13	912.5029	NA	PeJP	NA	NA
+PJ077744	GGGGGGGGVLLL 	C39H68N12O13	912.503	NA	PeJP	NA	NA
+PJ077745	LLLMMHR 	C40H72N12O8S2	912.5038	NA	PeJP	NA	NA
+PJ077746	GPNKRRW 	C40H64N16O9	912.5043	NA	PeJP	NA	NA
+PJ077747	PLLQKEW 	C44H68N10O11	912.5069	NA	PeJP	NA	NA
+PJ077748	GAPLLKEW 	C44H68N10O11	912.507	NA	PeJP	NA	NA
+PJ077749	PPTMRRR 	C37H68N16O9S	912.5076	NA	PeJP	NA	NA
+MJ097541	11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097542	12-Oleanene-2,3,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097543	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097544	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097545	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097546	12-Oleanene-3,22-diol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097547	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097548	13,28-Epoxy-3,16-dihydroxy-30-oleanal, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097549	22,24-Dihydroxy-28-hopanoic acid; 28?22 Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097550	27(13?18)-Abeo-3-hydroxy-26-nor-13-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097551	27(13?18)-Abeo-3-hydroxy-26-nor-14-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097552	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097553	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097554	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097555	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097556	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097557	3,20-Dihydroxydammar-24-en-21,23-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], 20-O-?-D-rhamnopyranoside 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097558	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097559	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-digitoxopyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-digitoxopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097560	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097561	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-digitoxopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097562	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-oleandropyranosyl-(1?4)-digitoxopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097563	3-Hydroxy-27-nor-13-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097564	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Apiofuranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097565	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097566	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097567	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097568	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097569	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097570	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[6-deoxy-?-D-glucopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097571	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[6-deoxy-?-L-talopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097572	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097573	Jujubogenin; 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-6-deoxy-?-L-talopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097574	Jujubogenin; 3-O-[?-L-Fucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097575	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097576	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1??)-[?-D-glucopyranosyl-(1??)]-?-D-xylopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097577	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097578	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097579	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097580	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097581	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-galactopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+MJ097582	Oleanolic acid bisdesmosides; Triglycosides, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O17	912.508251	NA	MeJP	NA	NA
+C12081	Soyasaponin II	C47H76O17	912.5083	NA	KEGG	NA	NA
+C17546	Akeboside Stf	C47H76O17	912.5083	NA	KEGG	NA	NA
+PJ077750	PLRRWW 	C45H64N14O7	912.5083	NA	PeJP	NA	NA
+PJ077751	SSLLLLMH 	C41H72N10O11S	912.5103	NA	PeJP	NA	NA
+PJ077752	PVLKFFY 	C49H68N8O9	912.511	NA	PeJP	NA	NA
+PJ077753	PQQKKER 	C38H68N14O12	912.5141	NA	PeJP	NA	NA
+PJ077754	PVKEERR 	C38H68N14O12	912.5142	NA	PeJP	NA	NA
+PJ077755	VLLKMFY 	C46H72N8O9S	912.5143	NA	PeJP	NA	NA
+PJ077756	AAHFRRR 	C39H64N18O8	912.5155	NA	PeJP	NA	NA
+PJ077757	SPLLLLEE 	C42H72N8O14	912.5168	NA	PeJP	NA	NA
+PJ077758	PPVLLLMM 	C43H76N8O9S2	912.5177	NA	PeJP	NA	NA
+PJ077759	PVVKERW 	C43H68N12O10	912.5182	NA	PeJP	NA	NA
+PJ077760	APPTLKMR 	C40H72N12O10S	912.5216	NA	PeJP	NA	NA
+PJ077761	APLLKWW 	C48H68N10O8	912.5222	NA	PeJP	NA	NA
+PJ077762	SPLERRR 	C37H68N16O11	912.5254	NA	PeJP	NA	NA
+PJ077763	CLKKKFF 	C45H72N10O8S	912.5256	NA	PeJP	NA	NA
+PJ077764	GPLLKKEE 	C41H72N10O13	912.5281	NA	PeJP	NA	NA
+PJ077765	SPVLRRW 	C42H68N14O9	912.5294	NA	PeJP	NA	NA
+PJ077766	TLLLKYY 	C46H72N8O11	912.5321	NA	PeJP	NA	NA
+PJ077767	PLLQMRR 	C39H72N14O9S	912.5328	NA	PeJP	NA	NA
+PJ077768	PVVLLLEM 	C43H76N8O11S	912.5355	NA	PeJP	NA	NA
+PJ077769	SPNKRRR 	C36H68N18O10	912.5366	NA	PeJP	NA	NA
+PJ077770	GPTLLKER 	C40H72N12O12	912.5393	NA	PeJP	NA	NA
+PJ077771	AVKHFRR 	C41H68N16O8	912.5406	NA	PeJP	NA	NA
+PJ077772	GLKHFRR 	C41H68N16O8	912.5407	NA	PeJP	NA	NA
+PJ077773	PLLKKEW 	C45H72N10O10	912.5433	NA	PeJP	NA	NA
+PJ077774	PVVMRRR 	C38H72N16O8S	912.544	NA	PeJP	NA	NA
+MJ097583	Cycloart-24-ene-3,22,26-triol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-?-D-fucopyranoside] 	C48H80O16	912.544636	NA	MeJP	NA	NA
+MJ097584	Cycloart-24-ene-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-fucopyranoside] 	C48H80O16	912.544636	NA	MeJP	NA	NA
+MJ097585	Eupha-7,24-diene-3,11,23-triol, 3,23-Di-O-?-L-rhamnopyranoside, 11-O-?-D-glucopyranoside 	C48H80O16	912.544636	NA	MeJP	NA	NA
+MJ097586	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H80O16	912.544636	NA	MeJP	NA	NA
+PJ077775	SPPLLKKM 	C42H76N10O10S	912.5467	NA	PeJP	NA	NA
+PJ077776	VLLKFFF 	C50H72N8O8	912.5473	NA	PeJP	NA	NA
+PJ077777	AAQRRRR 	C35H68N20O9	912.5479	NA	PeJP	NA	NA
+MJ097587	Ritterazine A 	C54H76N2O10	912.549996	NA	MeJP	NA	NA
+MJ097588	Ritterazine B; 12-Ketone, 14-hydroxy, 22-epimer 	C54H76N2O10	912.549996	NA	MeJP	NA	NA
+MJ097589	Ritterazine J; 7'-Deoxy 	C54H76N2O10	912.549996	NA	MeJP	NA	NA
+PJ077778	VLLQERR 	C39H72N14O11	912.5505	NA	PeJP	NA	NA
+PJ077779	GGLLLERR 	C39H72N14O11	912.5506	NA	PeJP	NA	NA
+PJ077780	ALLLLLEE 	C43H76N8O13	912.5532	NA	PeJP	NA	NA
+PJ077781	PTLLKRW 	C44H72N12O9	912.5546	NA	PeJP	NA	NA
+PJ077782	GPVLLKMR 	C41H76N12O9S	912.5579	NA	PeJP	NA	NA
+PJ077783	NRRRRR 	C34H68N22O8	912.5591	NA	PeJP	NA	NA
+PJ077784	ALLERRR 	C38H72N16O10	912.5618	NA	PeJP	NA	NA
+PJ077785	VTLLLLNQ 	C42H76N10O12	912.5644	NA	PeJP	NA	NA
+PJ077786	SPVLLKKE 	C42H76N10O12	912.5645	NA	PeJP	NA	NA
+PJ077787	GLLLRRW 	C43H72N14O8	912.5658	NA	PeJP	NA	NA
+PJ077788	PPVVLLLY 	C47H76N8O10	912.5685	NA	PeJP	NA	NA
+PJ077789	PLLKMRR 	C40H76N14O8S	912.5692	NA	PeJP	NA	NA
+PJ077790	PTLLLLLM 	C44H80N8O10S	912.5719	NA	PeJP	NA	NA
+HMDB09819	PI(18:0/22:5(4Z,7Z,10Z,13Z,16Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09820	PI(18:0/22:5(7Z,10Z,13Z,16Z,19Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09857	PI(18:2(9Z,12Z)/22:3(10Z,13Z,16Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09873	PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09874	PI(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09898	PI(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09904	PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09909	PI(22:3(10Z,13Z,16Z)/18:2(9Z,12Z))	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09917	PI(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+HMDB09919	PI(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)	C49H85O13P	912.572754	NA	HMDB2010	NA	NA
+PJ077791	GLQKRRR 	C37H72N18O9	912.573	NA	PeJP	NA	NA
+PJ077792	AALLLKER 	C41H76N12O11	912.5757	NA	PeJP	NA	NA
+PJ077793	LLLLQKW 	C46H76N10O9	912.5797	NA	PeJP	NA	NA
+PJ077794	APLLLKKM 	C43H80N10O9S	912.5831	NA	PeJP	NA	NA
+PJ077795	AAKRRRR 	C36H72N20O8	912.5843	NA	PeJP	NA	NA
+PJ077796	VLLKERR 	C40H76N14O10	912.5869	NA	PeJP	NA	NA
+PJ077797	SLLLLLLE 	C44H80N8O12	912.5896	NA	PeJP	NA	NA
+PJ077798	VVLLKRW 	C45H76N12O8	912.5909	NA	PeJP	NA	NA
+PJ077799	PVKKKKW 	C45H76N12O8	912.591	NA	PeJP	NA	NA
+PJ077800	SLLLRRR 	C39H76N16O9	912.5982	NA	PeJP	NA	NA
+PJ077801	VVVVLKKE 	C43H80N10O11	912.6008	NA	PeJP	NA	NA
+PJ077802	GLLLLKKE 	C43H80N10O11	912.6009	NA	PeJP	NA	NA
+PJ077803	PVVLLLLF 	C48H80N8O9	912.6049	NA	PeJP	NA	NA
+PJ077804	VVLLLLLM 	C45H84N8O9S	912.6082	NA	PeJP	NA	NA
+PJ077805	GLKKRRR 	C38H76N18O8	912.6094	NA	PeJP	NA	NA
+PJ077806	GTLLLLKR 	C42H80N12O10	912.6121	NA	PeJP	NA	NA
+PJ077807	LLLLKKW 	C47H80N10O8	912.6161	NA	PeJP	NA	NA
+PJ077808	LLQKKKR 	C41H80N14O9	912.6233	NA	PeJP	NA	NA
+PJ077809	VVKKKRR 	C40H80N16O8	912.6345	NA	PeJP	NA	NA
+PJ077810	SVLLLLKK 	C44H84N10O10	912.6372	NA	PeJP	NA	NA
+PJ077811	GVLLKKKK 	C43H84N12O9	912.6485	NA	PeJP	NA	NA
+PJ077812	LLKKKKR 	C42H84N14O8	912.6597	NA	PeJP	NA	NA
+MJ097590	Glycerol 1,3-didocosanoate 2-ferulate 	C57H100O8	912.74182	NA	MeJP	NA	NA
+HMDB05410	TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	C59H108O6	912.814575	NA	HMDB2010	NA	NA
+HMDB05442	TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	C59H108O6	912.814575	NA	HMDB2010	NA	NA
+HMDB05454	TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3]	C59H108O6	912.814575	NA	HMDB2010	NA	NA
+HMDB05459	TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	C59H108O6	912.814575	NA	HMDB2010	NA	NA
+HMDB05410	TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	C59H108O6	912.81458	http://www.hmdb.ca/metabolites/HMDB05410	HMDB	NA	NA
+HMDB05442	TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	C59H108O6	912.81458	http://www.hmdb.ca/metabolites/HMDB05442	HMDB	NA	NA
+HMDB05454	TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3]	C59H108O6	912.81458	http://www.hmdb.ca/metabolites/HMDB05454	HMDB	NA	NA
+HMDB05459	TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	C59H108O6	912.81458	http://www.hmdb.ca/metabolites/HMDB05459	HMDB	NA	NA
+HMDB05410	TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]	C59H108O6	912.81458	HMDB05410	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05442	TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	C59H108O6	912.81458	HMDB05442	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05454	TG(18:1(9Z)/18:1(9Z)/20:1(11Z))[iso3]	C59H108O6	912.81458	HMDB05454	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05459	TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]	C59H108O6	912.81458	HMDB05459	PFEM_hmdb_metabocards_official	NA	NA
+7776	Streptococcus mutans inhibitor	QGRVEVLYRGSWGTVC	912.937	MH2+	Inhouse_peptide	NA	peptide
+3912	uperin 3,6	GVIDAAKKVVNVLKNLF~	913.04885	MH2+	Inhouse_peptide	NA	peptide
+3917	uperin 3,6	GVIDAAKKVVNVLKNLF~	913.04885	MH2+	Inhouse_peptide	NA	peptide
+PJ077813	ACCCCCCCC 	C27H47N9O10S8	913.1212	NA	PeJP	NA	NA
+PJ077814	SSCCCCCCC 	C27H47N9O12S7	913.139	NA	PeJP	NA	NA
+HMDB06371	p-coumaroyl-CoA	C30H42N7O18P3S	913.15198	http://www.hmdb.ca/metabolites/HMDB06371	HMDB	NA	NA
+HMDB06371	p-coumaroyl-CoA	C30H42N7O18P3S	913.15198	HMDB06371	PFEM_hmdb_metabocards_official	NA	NA
+MJ097591	4-Coumaroyl-CoA 	C30H42N7O18P3S	913.151987	NA	MeJP	NA	NA
+MJ097592	Benzoyl acetyl-CoA 	C30H42N7O18P3S	913.151987	NA	MeJP	NA	NA
+MetaCyc04298	oxocinnamoyl-CoA []	C30H42N7O18P3S1	913.151988	NA	metacyc	NA	NA
+MetaCyc04299	3-keto-3-phenylpropionyl-CoA []	C30H42N7O18P3S1	913.151988	NA	metacyc	NA	NA
+MetaCyc04300	benzoyl-acetyl-CoA []	C30H42N7O18P3S1	913.151988	NA	metacyc	NA	NA
+MetaCyc04301	coumaroyl-CoA [p-coumaryl-CoA;4-coumaroyl-CoA;]	C30H42N7O18P3S1	913.151988	NA	metacyc	NA	NA
+C00223	p-Coumaroyl-CoA	C30H42N7O18P3S	913.152	NA	KEGG	NA	NA
+C07118	Benzoyl acetyl-CoA	C30H42N7O18P3S	913.152	NA	KEGG	NA	NA
+PJ077815	CCCCCCNY 	C31H47N9O11S6	913.172	NA	PeJP	NA	NA
+PJ077816	CCCCCNEH 	C30H47N11O12S5	913.201	NA	PeJP	NA	NA
+FL7AAAGL0038	Monardaein	C42H41O23	913.20386	144606-89-3	knapsack	NA	NA
+C08723	Monardaein	C42H41O23	913.2039	NA	KEGG	NA	NA
+PJ077817	CCNDDDDD 	C30H43N9O20S2	913.2066	NA	PeJP	NA	NA
+PJ077818	GCCCCCHW 	C34H47N11O9S5	913.2162	NA	PeJP	NA	NA
+PJ077819	GSSCCCCDH 	C30H47N11O14S4	913.2187	NA	PeJP	NA	NA
+PJ077820	GSPCCCDDD 	C31H47N9O17S3	913.2253	NA	PeJP	NA	NA
+PJ077821	GPPCCCCCE 	C32H51N9O12S5	913.2261	NA	PeJP	NA	NA
+PJ077822	CCCNNNDE 	C30H47N11O16S3	913.2365	NA	PeJP	NA	NA
+PJ077823	SCCCCQMH 	C31H51N11O11S5	913.2373	NA	PeJP	NA	NA
+PJ077824	GGTCCCCMH 	C31H51N11O11S5	913.2374	NA	PeJP	NA	NA
+PJ077825	PPCCCCCW 	C36H51N9O9S5	913.2414	NA	PeJP	NA	NA
+PJ077826	SCNDDDDM 	C31H47N9O19S2	913.243	NA	PeJP	NA	NA
+PJ077827	PCCCNDEM 	C32H51N9O14S4	913.2439	NA	PeJP	NA	NA
+PJ077828	CCCEMYY 	C37H51N7O12S4	913.2479	NA	PeJP	NA	NA
+PJ077829	SCCCCCHR 	C30H51N13O10S5	913.2486	NA	PeJP	NA	NA
+PJ077830	GCCCNNDW 	C34H47N11O13S3	913.2517	NA	PeJP	NA	NA
+PJ077831	GGGGGCCCDW 	C34H47N11O13S3	913.2518	NA	PeJP	NA	NA
+PJ077832	GSSCCNNDD 	C30H47N11O18S2	913.2542	NA	PeJP	NA	NA
+PJ077833	GGGGGSSCCDD 	C30H47N11O18S2	913.2543	NA	PeJP	NA	NA
+PJ077834	PCCCCDDR 	C31H51N11O13S4	913.2551	NA	PeJP	NA	NA
+PJ077835	GSCCDDEW 	C35H47N9O16S2	913.2583	NA	PeJP	NA	NA
+PJ077836	GPCCCDMW 	C36H51N9O11S4	913.2591	NA	PeJP	NA	NA
+PJ077837	GSSSCDDDE 	C31H47N9O21S	913.2608	NA	PeJP	NA	NA
+PJ077838	GCNDDEMM 	C32H51N9O16S3	913.2616	NA	PeJP	NA	NA
+PJ077839	GPPTCCCCM 	C33H55N9O11S5	913.2625	NA	PeJP	NA	NA
+PJ077840	GCCCNMHF 	C35H51N11O10S4	913.2704	NA	PeJP	NA	NA
+PJ077841	GCCDDDMR 	C31H51N11O15S3	913.2729	NA	PeJP	NA	NA
+PJ077842	SCCDDWW 	C39H47N9O13S2	913.2735	NA	PeJP	NA	NA
+PJ077843	SCCCCKMH 	C32H55N11O10S5	913.2737	NA	PeJP	NA	NA
+MetaCyc04302	methylene-tetrahydrosarcinapterin [5,10-methylene-tetrahydrosarcinapterin;5,10-methylene-H4SPT;methylene-H4SPT;]	C36H48N7O19P1	913.274259	NA	metacyc	NA	NA
+PJ077844	SSSCDDDW 	C35H47N9O18S	913.276	NA	PeJP	NA	NA
+PJ077845	CNDDMMW 	C36H51N9O13S3	913.2769	NA	PeJP	NA	NA
+PJ077846	SSSSSDDDD 	C31H47N9O23	913.2785	NA	PeJP	NA	NA
+PJ077847	SSNDDDMM 	C32H51N9O18S2	913.2794	NA	PeJP	NA	NA
+PJ077848	SPCCNEMM 	C33H55N9O13S4	913.2803	NA	PeJP	NA	NA
+PJ077849	GCCNDEHH 	C33H47N13O14S2	913.2807	NA	PeJP	NA	NA
+PJ077850	PCCCYYY 	C41H51N7O11S3	913.2809	NA	PeJP	NA	NA
+PJ077851	CMMMMMH 	C34H59N9O8S6	913.2811	NA	PeJP	NA	NA
+PJ077852	DDDEEEY 	C36H47N7O21	913.2825	NA	PeJP	NA	NA
+PJ077853	SCCCNNDR 	C30H51N13O14S3	913.2841	NA	PeJP	NA	NA
+PJ077854	TCCMMYY 	C38H55N7O11S4	913.2843	NA	PeJP	NA	NA
+PJ077855	DEEEMMM 	C34H55N7O16S3	913.2868	NA	PeJP	NA	NA
+PJ077856	GCNNNDDY 	C34H47N11O17S	913.2872	NA	PeJP	NA	NA
+PJ077857	GGGCNNDDY 	C34H47N11O17S	913.2873	NA	PeJP	NA	NA
+PJ077858	CCCDERW 	C35H51N11O12S3	913.2881	NA	PeJP	NA	NA
+PJ077859	SSCCDDER 	C31H51N11O17S2	913.2906	NA	PeJP	NA	NA
+PJ077860	CNDDDFW 	C39H47N9O15S	913.2913	NA	PeJP	NA	NA
+PJ077861	SPCCCDMR 	C32H55N11O12S4	913.2915	NA	PeJP	NA	NA
+PJ077862	GCCEMWW 	C40H51N9O10S3	913.2921	NA	PeJP	NA	NA
+PJ077863	GSNDDDEY 	C35H47N9O20	913.2938	NA	PeJP	NA	NA
+PJ077864	GSSCDEMW 	C36H51N9O15S2	913.2946	NA	PeJP	NA	NA
+PJ077865	GGGPCDDMY 	C36H51N9O15S2	913.2947	NA	PeJP	NA	NA
+PJ077866	GSPCCMMW 	C37H55N9O10S4	913.2955	NA	PeJP	NA	NA
+PJ077867	CCNDHHW 	C37H47N13O11S2	913.296	NA	PeJP	NA	NA
+PJ077868	GSSSSDDEM 	C32H51N9O20S	913.2971	NA	PeJP	NA	NA
+PJ077869	GSNDEMMM 	C33H55N9O15S3	913.298	NA	PeJP	NA	NA
+PJ077870	SSCNDDHH 	C33H47N13O16S	913.2985	NA	PeJP	NA	NA
+PJ077871	GCDMYYY 	C41H51N7O13S2	913.2987	NA	PeJP	NA	NA
+PJ077872	GPCNMMMM 	C34H59N9O10S5	913.2989	NA	PeJP	NA	NA
+PJ077873	SPCCCQHH 	C34H51N13O11S3	913.2994	NA	PeJP	NA	NA
+PJ077874	DDEEEMF 	C37H51N7O18S	913.3012	NA	PeJP	NA	NA
+PJ077875	GCCCNQMR 	C31H55N13O11S4	913.3027	NA	PeJP	NA	NA
+PJ077876	SPNDDDDH 	C34H47N11O19	913.305	NA	PeJP	NA	NA
+PJ077877	SSSCCNQW 	C35H51N11O14S2	913.3059	NA	PeJP	NA	NA
+PJ077878	ACCCCKHF 	C36H55N11O9S4	913.3068	NA	PeJP	NA	NA
+PJ077879	CCMWWW 	C44H51N9O7S3	913.3074	NA	PeJP	NA	NA
+PJ077880	SSSSSCNNE 	C31H51N11O19S	913.3084	NA	PeJP	NA	NA
+PJ077881	SNDDDYW 	C39H47N9O17	913.309	NA	PeJP	NA	NA
+PJ077882	ASCCDEMR 	C32H55N11O14S3	913.3092	NA	PeJP	NA	NA
+PJ077883	GSCDDMMR 	C32H55N11O14S3	913.3093	NA	PeJP	NA	NA
+PJ077884	SSCDMWW 	C40H51N9O12S2	913.3099	NA	PeJP	NA	NA
+PJ077885	APCCCMMR 	C33H59N11O9S5	913.3101	NA	PeJP	NA	NA
+PJ077886	SSSSDDMW 	C36H51N9O17S	913.3124	NA	PeJP	NA	NA
+PJ077887	SNDMMMW 	C37H55N9O12S3	913.3133	NA	PeJP	NA	NA
+PJ077888	GCCCCNRR 	C30H55N15O10S4	913.314	NA	PeJP	NA	NA
+PJ077889	CCMHHHF 	C38H51N13O8S3	913.3146	NA	PeJP	NA	NA
+PJ077890	SSSSSSDEE 	C32H51N9O22	913.3149	NA	PeJP	NA	NA
+PJ077891	SSSNEEMM 	C33H55N9O17S2	913.3158	NA	PeJP	NA	NA
+PJ077892	GNNNDDEH 	C33H47N13O18	913.3162	NA	PeJP	NA	NA
+PJ077893	GGGNNDDEH 	C33H47N13O18	913.3163	NA	PeJP	NA	NA
+PJ077894	SSCEYYY 	C41H51N7O15S	913.3164	NA	PeJP	NA	NA
+PJ077895	NQEMMMM 	C34H59N9O12S4	913.3166	NA	PeJP	NA	NA
+PJ077896	GGGAEMMMM 	C34H59N9O12S4	913.3167	NA	PeJP	NA	NA
+PJ077897	GSCNEMHH 	C34H51N13O13S2	913.3171	NA	PeJP	NA	NA
+PJ077898	GCMMFYY 	C42H55N7O10S3	913.3173	NA	PeJP	NA	NA
+PJ077899	SEEEEEY 	C37H51N7O20	913.3189	NA	PeJP	NA	NA
+PJ077900	PDEEMMY 	C38H55N7O15S2	913.3198	NA	PeJP	NA	NA
+PJ077901	DDDEHHF 	C38H47N11O16	913.3203	NA	PeJP	NA	NA
+PJ077902	SSCCNNMR 	C31H55N13O13S3	913.3205	NA	PeJP	NA	NA
+PJ077903	CCNNQFW 	C39H51N11O11S2	913.3211	NA	PeJP	NA	NA
+PJ077904	GGGGGACCFW 	C39H51N11O11S2	913.3212	NA	PeJP	NA	NA
+PJ077905	GSSSSSCNW 	C35H51N11O16S	913.3236	NA	PeJP	NA	NA
+PJ077906	GGGGGGGSDMY 	C35H51N11O16S	913.3237	NA	PeJP	NA	NA
+PJ077907	SCCEMRW 	C36H55N11O11S3	913.3245	NA	PeJP	NA	NA
+PJ077908	CDEHHHH 	C36H47N15O12S	913.325	NA	PeJP	NA	NA
+PJ077909	GPCCYWW 	C44H51N9O9S2	913.3251	NA	PeJP	NA	NA
+PJ077910	GSSSSSSSND 	C31H51N11O21	913.3261	NA	PeJP	NA	NA
+PJ077911	SSSCDEMR 	C32H55N11O16S2	913.327	NA	PeJP	NA	NA
+PJ077912	ACEEHYY 	C40H51N9O14S	913.3276	NA	PeJP	NA	NA
+PJ077913	GNDEMYW 	C40H51N9O14S	913.3277	NA	PeJP	NA	NA
+PJ077914	CNEMMMR 	C33H59N11O11S4	913.3279	NA	PeJP	NA	NA
+PJ077915	GSCCDHHR 	C33H51N15O12S2	913.3284	NA	PeJP	NA	NA
+PJ077916	GTCMMWW 	C41H55N9O9S3	913.3285	NA	PeJP	NA	NA
+PJ077917	GSTDDQEY 	C36H51N9O19	913.3301	NA	PeJP	NA	NA
+PJ077918	GSSNEEEY 	C36H51N9O19	913.3302	NA	PeJP	NA	NA
+PJ077919	GSSSEMMW 	C37H55N9O14S2	913.331	NA	PeJP	NA	NA
+PJ077920	NNNDDHW 	C37H47N13O15	913.3315	NA	PeJP	NA	NA
+PJ077921	GCDFFYY 	C45H51N7O12S	913.3317	NA	PeJP	NA	NA
+PJ077922	GQMMMMW 	C38H59N9O9S4	913.3319	NA	PeJP	NA	NA
+PJ077923	SCNMHHW 	C38H51N13O10S2	913.3324	NA	PeJP	NA	NA
+PJ077924	GSSSSTEEM 	C33H55N9O19S	913.3335	NA	PeJP	NA	NA
+PJ077925	PDDEEFY 	C41H51N7O17	913.3342	NA	PeJP	NA	NA
+MJ097593	Aeruginoguanidines; Aeruginoguanidine 98B 	C34H59N9O14S3	913.334359	NA	MeJP	NA	NA
+PJ077926	GSTQEMMM 	C34H59N9O14S3	913.3344	NA	PeJP	NA	NA
+PJ077927	GPCDDDHR 	C34H51N13O15S	913.3349	NA	PeJP	NA	NA
+PJ077928	GSMMYYY 	C42H55N7O12S2	913.335	NA	PeJP	NA	NA
+PJ077929	APCCKMMM 	C35H63N9O9S5	913.3353	NA	PeJP	NA	NA
+PJ077930	NNMMMHH 	C35H55N13O10S3	913.3357	NA	PeJP	NA	NA
+PJ077931	GGGGMMMHH 	C35H55N13O10S3	913.3358	NA	PeJP	NA	NA
+PJ077932	VDEEEMY 	C38H55N7O17S	913.3376	NA	PeJP	NA	NA
+PJ077933	GSSSSCCQR 	C31H55N13O15S2	913.3382	NA	PeJP	NA	NA
+PJ077934	PEEMMMF 	C39H59N7O12S3	913.3384	NA	PeJP	NA	NA
+PJ077935	GCDDRYW 	C39H51N11O13S	913.3389	NA	PeJP	NA	NA
+PJ077936	CCDMMRR 	C32H59N13O10S4	913.3391	NA	PeJP	NA	NA
+PJ077937	PCCCFRW 	C40H55N11O8S3	913.3398	NA	PeJP	NA	NA
+PJ077938	GSSDDDRY 	C35H51N11O18	913.3414	NA	PeJP	NA	NA
+PJ077939	LEEMMMM 	C36H63N7O12S4	913.3418	NA	PeJP	NA	NA
+PJ077940	NNNQMMY 	C36H55N11O13S2	913.3422	NA	PeJP	NA	NA
+PJ077941	SSSCCNKW 	C36H55N11O13S2	913.3423	NA	PeJP	NA	NA
+PJ077942	NDMYWW 	C44H51N9O11S	913.3429	NA	PeJP	NA	NA
+PJ077943	GCMMMRW 	C37H59N11O8S4	913.3431	NA	PeJP	NA	NA
+PJ077944	SSSSSSNQM 	C32H55N11O18S	913.3447	NA	PeJP	NA	NA
+PJ077945	GGSSSSSSQM 	C32H55N11O18S	913.3448	NA	PeJP	NA	NA
+PJ077946	SSNEEYW 	C40H51N9O16	913.3454	NA	PeJP	NA	NA
+PJ077947	GSSDMMMR 	C33H59N11O13S3	913.3456	NA	PeJP	NA	NA
+PJ077948	GNNNNNMH 	C33H51N15O14S	913.3461	NA	PeJP	NA	NA
+PJ077949	SSSMMWW 	C41H55N9O11S2	913.3463	NA	PeJP	NA	NA
+PJ077950	CCQMHHR 	C34H55N15O9S3	913.347	NA	PeJP	NA	NA
+PJ077951	SSSSTEMW 	C37H55N9O16S	913.3488	NA	PeJP	NA	NA
+PJ077952	NEYYYY 	C45H51N7O14	913.3494	NA	PeJP	NA	NA
+PJ077953	STQMMMW 	C38H59N9O11S3	913.3496	NA	PeJP	NA	NA
+PJ077954	GGTTMMMW 	C38H59N9O11S3	913.3497	NA	PeJP	NA	NA
+PJ077955	GSSTCHHW 	C38H51N13O12S	913.3501	NA	PeJP	NA	NA
+PJ077956	GCMFFFY 	C46H55N7O9S2	913.3503	NA	PeJP	NA	NA
+PJ077957	SSSSSTTEE 	C33H55N9O21	913.3513	NA	PeJP	NA	NA
+PJ077958	SSTTQEMM 	C34H59N9O16S2	913.3521	NA	PeJP	NA	NA
+PJ077959	SSSDKEMM 	C34H59N9O16S2	913.3522	NA	PeJP	NA	NA
+PJ077960	NDDEEHR 	C34H51N13O17	913.3526	NA	PeJP	NA	NA
+PJ077961	GGGGGGGTEEH 	C34H51N13O17	913.3527	NA	PeJP	NA	NA
+PJ077962	SSTMYYY 	C42H55N7O14S	913.3528	NA	PeJP	NA	NA
+PJ077963	NKEMMMM 	C35H63N9O11S4	913.353	NA	PeJP	NA	NA
+PJ077964	CNNNMRY 	C35H55N13O12S2	913.3535	NA	PeJP	NA	NA
+PJ077965	GPCEHWW 	C43H51N11O10S	913.3541	NA	PeJP	NA	NA
+PJ077966	SSSSSSCNR 	C31H55N13O17S	913.356	NA	PeJP	NA	NA
+PJ077967	VEEEMMF 	C39H59N7O14S2	913.3562	NA	PeJP	NA	NA
+PJ077968	GSSSNNYW 	C39H51N11O15	913.3566	NA	PeJP	NA	NA
+PJ077969	GGGGGSSSYW 	C39H51N11O15	913.3567	NA	PeJP	NA	NA
+PJ077970	SSCCCQKR 	C32H59N13O12S3	913.3569	NA	PeJP	NA	NA
+PJ077971	SPCCRYW 	C40H55N11O10S2	913.3575	NA	PeJP	NA	NA
+PJ077972	ACYWWW 	C48H51N9O8S	913.3582	NA	PeJP	NA	NA
+MJ097594	Antibiotic SQ 28516 	C36H55N11O15S	913.35998	NA	MeJP	NA	NA
+PJ077973	SNDEMRY 	C36H55N11O15S	913.36	NA	PeJP	NA	NA
+PJ077974	GSSEYWW 	C44H51N9O13	913.3607	NA	PeJP	NA	NA
+PJ077975	STCMMRW 	C37H59N11O10S3	913.3609	NA	PeJP	NA	NA
+PJ077976	SEMHHHH 	C37H51N15O11S	913.3614	NA	PeJP	NA	NA
+PJ077977	NMMFWW 	C45H55N9O8S2	913.3615	NA	PeJP	NA	NA
+PJ077978	GSSSSSSSTQ 	C32H55N11O20	913.3625	NA	PeJP	NA	NA
+PJ077979	SSSSEMMR 	C33H59N11O15S2	913.3634	NA	PeJP	NA	NA
+PJ077980	SSNNNNQH 	C33H51N15O16	913.3638	NA	PeJP	NA	NA
+PJ077981	GSNNDDHR 	C33H51N15O16	913.3639	NA	PeJP	NA	NA
+PJ077982	GTQEMYW 	C41H55N9O13S	913.364	NA	PeJP	NA	NA
+PJ077983	GPPPDDMW 	C41H55N9O13S	913.3641	NA	PeJP	NA	NA
+PJ077984	SQMMMMR 	C34H63N11O10S4	913.3642	NA	PeJP	NA	NA
+PJ077985	TNMMMMR 	C34H63N11O10S4	913.3643	NA	PeJP	NA	NA
+PJ077986	GYYYYW 	C49H51N7O11	913.3647	NA	PeJP	NA	NA
+PJ077987	GGGGAPCCHR 	C34H55N15O11S2	913.3648	NA	PeJP	NA	NA
+PJ077988	PCCKMFW 	C42H59N9O8S3	913.3649	NA	PeJP	NA	NA
+PJ077989	GCQHHFW 	C42H51N13O9S	913.3654	NA	PeJP	NA	NA
+PJ077990	GSSDKEEY 	C37H55N9O18	913.3665	NA	PeJP	NA	NA
+PJ077991	GPPQEEEE 	C37H55N9O18	913.3666	NA	PeJP	NA	NA
+PJ077992	GSTTTMMW 	C38H59N9O13S2	913.3674	NA	PeJP	NA	NA
+PJ077993	GDDEHRW 	C38H51N13O14	913.3679	NA	PeJP	NA	NA
+PJ077994	QMFYYY 	C46H55N7O11S	913.368	NA	PeJP	NA	NA
+PJ077995	GAMFYYY 	C46H55N7O11S	913.3681	NA	PeJP	NA	NA
+PJ077996	GKMMMMW 	C39H63N9O8S4	913.3683	NA	PeJP	NA	NA
+PJ077997	TCCKHHW 	C39H55N13O9S2	913.3688	NA	PeJP	NA	NA
+PJ077998	PCHWWW 	C47H51N11O7S	913.3694	NA	PeJP	NA	NA
+PJ077999	SSSSSSLEM 	C34H59N9O18S	913.3699	NA	PeJP	NA	NA
+PJ078000	PVDEEYY 	C42H55N7O16	913.3706	NA	PeJP	NA	NA
+PJ078001	GSTKEMMM 	C35H63N9O13S3	913.3708	NA	PeJP	NA	NA
+PJ078002	GSSCNQRY 	C35H55N13O14S	913.3712	NA	PeJP	NA	NA
+PJ078003	SCDDRRY 	C35H55N13O14S	913.3713	NA	PeJP	NA	NA
+PJ078004	PPEMMFY 	C43H59N7O11S2	913.3714	NA	PeJP	NA	NA
+PJ078005	QEEHWW 	C43H51N11O12	913.3719	NA	PeJP	NA	NA
+PJ078006	APPCCMHR 	C36H59N13O9S3	913.3721	NA	PeJP	NA	NA
+PJ078007	TLEEEMY 	C39H59N7O16S	913.3739	NA	PeJP	NA	NA
+PJ078008	GSSSSCCKR 	C32H59N13O14S2	913.3746	NA	PeJP	NA	NA
+PJ078009	PLEMMMY 	C40H63N7O11S3	913.3748	NA	PeJP	NA	NA
+PJ078010	GSDMRYW 	C40H55N11O12S	913.3753	NA	PeJP	NA	NA
+PJ078011	SCMMMRR 	C33H63N13O9S4	913.3755	NA	PeJP	NA	NA
+PJ078012	SSYWWW 	C48H51N9O10	913.3759	NA	PeJP	NA	NA
+PJ078013	PCHHHHF 	C41H51N15O8S	913.3766	NA	PeJP	NA	NA
+PJ078014	GSSSEERY 	C36H55N11O17	913.3778	NA	PeJP	NA	NA
+PJ078015	GQEMMRY 	C37H59N11O12S2	913.3786	NA	PeJP	NA	NA
+PJ078016	GGAEMMRY 	C37H59N11O12S2	913.3787	NA	PeJP	NA	NA
+PJ078017	GSPNEHHH 	C37H51N15O13	913.3791	NA	PeJP	NA	NA
+PJ078018	TQMYWW 	C45H55N9O10S	913.3793	NA	PeJP	NA	NA
+PJ078019	CLMHHHH 	C38H55N15O8S2	913.38	NA	PeJP	NA	NA
+PJ078020	SSSSSSNKM 	C33H59N11O17S	913.3811	NA	PeJP	NA	NA
+PJ078021	SSDKEYW 	C41H55N9O15	913.3818	NA	PeJP	NA	NA
+PJ078022	GSTTMMMR 	C34H63N11O12S3	913.382	NA	PeJP	NA	NA
+PJ078023	SSSTCHHR 	C34H55N15O13S	913.3825	NA	PeJP	NA	NA
+PJ078024	GVQMMYW 	C42H59N9O10S2	913.3827	NA	PeJP	NA	NA
+PJ078025	DDHRWW 	C42H51N13O11	913.3831	NA	PeJP	NA	NA
+PJ078026	GGGGGTHWW 	C42H51N13O11	913.3832	NA	PeJP	NA	NA
+PJ078027	GCFFFFF 	C50H55N7O8S	913.3833	NA	PeJP	NA	NA
+PJ078028	CCKMHHR 	C35H59N15O8S3	913.3834	NA	PeJP	NA	NA
+PJ078029	SSTTTTMW 	C38H59N9O15S	913.3852	NA	PeJP	NA	NA
+PJ078030	DKYYYY 	C46H55N7O13	913.3858	NA	PeJP	NA	NA
+PJ078031	STKMMMW 	C39H63N9O10S3	913.386	NA	PeJP	NA	NA
+PJ078032	GGGALMMMF 	C39H63N9O10S3	913.3861	NA	PeJP	NA	NA
+PJ078033	SPCEHRW 	C39H55N13O11S	913.3865	NA	PeJP	NA	NA
+PJ078034	AEHWWW 	C47H51N11O9	913.3872	NA	PeJP	NA	NA
+PJ078035	SSTTTTTTD 	C34H59N9O20	913.3876	NA	PeJP	NA	NA
+PJ078036	SSSTTTTTE 	C34H59N9O20	913.3877	NA	PeJP	NA	NA
+PJ078037	SSTTKEMM 	C35H63N9O15S2	913.3885	NA	PeJP	NA	NA
+PJ078038	SSSSNNRY 	C35H55N13O16	913.389	NA	PeJP	NA	NA
+PJ078039	GGGGGGGGGGPLD 	C35H55N13O16	913.3891	NA	PeJP	NA	NA
+PJ078040	PVEEMFY 	C43H59N7O13S	913.3892	NA	PeJP	NA	NA
+PJ078041	DKKMMMM 	C36H67N9O10S4	913.3894	NA	PeJP	NA	NA
+PJ078042	GCEMRRY 	C36H59N13O11S2	913.3899	NA	PeJP	NA	NA
+PJ078043	NNQQHHH 	C36H51N17O12	913.3903	NA	PeJP	NA	NA
+PJ078044	GGNQQHHH 	C36H51N17O12	913.3904	NA	PeJP	NA	NA
+PJ078045	TCRYWW 	C44H55N11O9S	913.3905	NA	PeJP	NA	NA
+PJ078046	VLEEMMY 	C40H63N7O13S2	913.3926	NA	PeJP	NA	NA
+PJ078047	SSSERYW 	C40H55N11O14	913.393	NA	PeJP	NA	NA
+PJ078048	GGGGGPPTEW 	C40H55N11O14	913.3931	NA	PeJP	NA	NA
+PJ078049	SSCCCKKR 	C33H63N13O11S3	913.3933	NA	PeJP	NA	NA
+PJ078050	CNNDHRR 	C33H55N17O12S	913.3937	NA	PeJP	NA	NA
+PJ078051	QMMRYW 	C41H59N11O9S2	913.3939	NA	PeJP	NA	NA
+PJ078052	SPNHHHW 	C41H51N15O10	913.3944	NA	PeJP	NA	NA
+PJ078053	MHFFFW 	C49H55N9O7S	913.3946	NA	PeJP	NA	NA
+PJ078054	STQEMRY 	C37H59N11O14S	913.3964	NA	PeJP	NA	NA
+PJ078055	GTTTYWW 	C45H55N9O12	913.397	NA	PeJP	NA	NA
+PJ078056	APPEEWW 	C45H55N9O12	913.3971	NA	PeJP	NA	NA
+PJ078057	AQMMMFR 	C38H63N11O9S3	913.3973	NA	PeJP	NA	NA
+PJ078058	GNNMHRW 	C38H55N15O10S	913.3977	NA	PeJP	NA	NA
+PJ078059	GGGNMHRW 	C38H55N15O10S	913.3978	NA	PeJP	NA	NA
+PJ078060	GSSSSSSSTK 	C33H59N11O19	913.3989	NA	PeJP	NA	NA
+PJ078061	SSTTTMMR 	C34H63N11O14S2	913.3998	NA	PeJP	NA	NA
+PJ078062	GSSNQEHR 	C34H55N15O15	913.4002	NA	PeJP	NA	NA
+PJ078063	SDDEHRR 	C34H55N15O15	913.4003	NA	PeJP	NA	NA
+PJ078064	GTKEMYW 	C42H59N9O12S	913.4004	NA	PeJP	NA	NA
+PJ078065	SKMMMMR 	C35H67N11O9S4	913.4006	NA	PeJP	NA	NA
+PJ078066	ACCCKKKM 	C35H67N11O9S4	913.4007	NA	PeJP	NA	NA
+PJ078067	QFFFYY 	C50H55N7O10	913.4011	NA	PeJP	NA	NA
+PJ078068	GCKHHFW 	C43H55N13O8S	913.4018	NA	PeJP	NA	NA
+PJ078069	GSTTKEEY 	C38H59N9O17	913.4029	NA	PeJP	NA	NA
+PJ078070	VNKEMMY 	C39H63N9O12S2	913.4038	NA	PeJP	NA	NA
+PJ078071	GTEEHRW 	C39H55N13O13	913.4043	NA	PeJP	NA	NA
+PJ078072	KMFYYY 	C47H59N7O10S	913.4044	NA	PeJP	NA	NA
+PJ078073	PPEMFFF 	C47H59N7O10S	913.4045	NA	PeJP	NA	NA
+PJ078074	CMRRYW 	C40H59N13O8S2	913.4051	NA	PeJP	NA	NA
+PJ078075	SSSSTTTLM 	C35H63N9O17S	913.4063	NA	PeJP	NA	NA
+PJ078076	PTLEEYY 	C43H59N7O15	913.4069	NA	PeJP	NA	NA
+PJ078077	VVEEEFY 	C43H59N7O15	913.407	NA	PeJP	NA	NA
+PJ078078	SSSLKMMM 	C36H67N9O12S3	913.4072	NA	PeJP	NA	NA
+PJ078079	SSDMRRY 	C36H59N13O13S	913.4076	NA	PeJP	NA	NA
+PJ078080	GGVEEMHR 	C36H59N13O13S	913.4077	NA	PeJP	NA	NA
+PJ078081	PPLMMYY 	C44H63N7O10S2	913.4078	NA	PeJP	NA	NA
+PJ078082	KEEHWW 	C44H55N11O11	913.4083	NA	PeJP	NA	NA
+PJ078083	ACMMFRR 	C37H63N13O8S3	913.4085	NA	PeJP	NA	NA
+PJ078084	PCQHHHR 	C37H55N17O9S	913.409	NA	PeJP	NA	NA
+PJ078085	LLEMMMF 	C41H67N7O10S3	913.4112	NA	PeJP	NA	NA
+PJ078086	ASTMRYW 	C41H59N11O11S	913.4116	NA	PeJP	NA	NA
+PJ078087	GTTMRYW 	C41H59N11O11S	913.4117	NA	PeJP	NA	NA
+PJ078088	VNFYWW 	C49H55N9O9	913.4123	NA	PeJP	NA	NA
+PJ078089	SSSSQQKY 	C37H59N11O16	913.4141	NA	PeJP	NA	NA
+PJ078090	GSTTTERY 	C37H59N11O16	913.4142	NA	PeJP	NA	NA
+PJ078091	GKEMMRY 	C38H63N11O11S2	913.415	NA	PeJP	NA	NA
+PJ078092	GGGAPPPCKM 	C38H63N11O11S2	913.4151	NA	PeJP	NA	NA
+PJ078093	SSNQHRW 	C38H55N15O12	913.4155	NA	PeJP	NA	NA
+PJ078094	TKMYWW 	C46H59N9O9S	913.4157	NA	PeJP	NA	NA
+PJ078095	SSSSSTCKK 	C34H63N11O16S	913.4175	NA	PeJP	NA	NA
+PJ078096	STTKEYW 	C42H59N9O14	913.4182	NA	PeJP	NA	NA
+PJ078097	SSCCKKKM 	C35H67N11O11S3	913.4184	NA	PeJP	NA	NA
+PJ078098	GEEMHRR 	C35H59N15O12S	913.4189	NA	PeJP	NA	NA
+PJ078099	ACLKMYW 	C43H63N9O9S2	913.419	NA	PeJP	NA	NA
+PJ078100	GVKMMYW 	C43H63N9O9S2	913.4191	NA	PeJP	NA	NA
+PJ078101	TEHRWW 	C43H55N13O10	913.4195	NA	PeJP	NA	NA
+PJ078102	SSPTTKMY 	C39H63N9O14S	913.4215	NA	PeJP	NA	NA
+PJ078103	SKKEEMY 	C39H63N9O14S	913.4216	NA	PeJP	NA	NA
+MJ097595	Yakusimycin C 	C47H59N7O12	913.42217	NA	MeJP	NA	NA
+PJ078104	PPVEFYY 	C47H59N7O12	913.4222	NA	PeJP	NA	NA
+PJ078105	VQKMMMF 	C40H67N9O9S3	913.4224	NA	PeJP	NA	NA
+PJ078106	GVEMHRW 	C40H59N13O10S	913.4229	NA	PeJP	NA	NA
+PJ078107	SLHWWW 	C48H55N11O8	913.4235	NA	PeJP	NA	NA
+PJ078108	STTTTTTTT 	C35H63N9O19	913.424	NA	PeJP	NA	NA
+PJ078109	TTTTTKMM 	C36H67N9O14S2	913.4249	NA	PeJP	NA	NA
+PJ078110	SKEEEHR 	C36H59N13O15	913.4254	NA	PeJP	NA	NA
+MJ097596	Nodulapeptin B 	C44H63N7O12S	913.425541	NA	MeJP	NA	NA
+PJ078111	PVLEMYY 	C44H63N7O12S	913.4256	NA	PeJP	NA	NA
+PJ078112	GTMMRRY 	C37H63N13O10S2	913.4263	NA	PeJP	NA	NA
+PJ078113	AQEHHHR 	C37H55N17O11	913.4267	NA	PeJP	NA	NA
+PJ078114	GAAEHHHR 	C37H55N17O11	913.4268	NA	PeJP	NA	NA
+PJ078115	AALMHWW 	C45H59N11O8S	913.4269	NA	PeJP	NA	NA
+PJ078116	STTTRYW 	C41H59N11O13	913.4294	NA	PeJP	NA	NA
+PJ078117	SNNMHRR 	C34H59N17O11S	913.4301	NA	PeJP	NA	NA
+PJ078118	KMMRYW 	C42H63N11O8S2	913.4303	NA	PeJP	NA	NA
+PJ078119	GLQHHHW 	C42H55N15O9	913.4308	NA	PeJP	NA	NA
+PJ078120	STKEMRY 	C38H63N11O13S	913.4328	NA	PeJP	NA	NA
+PJ078121	SPPLEWW 	C46H59N9O11	913.4334	NA	PeJP	NA	NA
+PJ078122	GPPPVDFW 	C46H59N9O11	913.4335	NA	PeJP	NA	NA
+PJ078123	AKMMMFR 	C39H67N11O8S3	913.4337	NA	PeJP	NA	NA
+PJ078124	EMHRRW 	C39H59N15O9S	913.4341	NA	PeJP	NA	NA
+PJ078125	STEEHRR 	C35H59N15O14	913.4366	NA	PeJP	NA	NA
+PJ078126	GGGGPEERR 	C35H59N15O14	913.4367	NA	PeJP	NA	NA
+PJ078127	SSLKMYW 	C43H63N9O11S	913.4368	NA	PeJP	NA	NA
+PJ078128	KFFFYY 	C51H59N7O9	913.4375	NA	PeJP	NA	NA
+PJ078129	GDHHHRR 	C36H55N19O10	913.438	NA	PeJP	NA	NA
+PJ078130	VMHRWW 	C44H59N13O7S	913.4382	NA	PeJP	NA	NA
+PJ078131	SSSTLKEY 	C39H63N9O16	913.4393	NA	PeJP	NA	NA
+PJ078132	VDKKMMY 	C40H67N9O11S2	913.4402	NA	PeJP	NA	NA
+PJ078133	SSLEHRW 	C40H59N13O12	913.4406	NA	PeJP	NA	NA
+PJ078134	VTTDHRW 	C40H59N13O12	913.4407	NA	PeJP	NA	NA
+PJ078135	PPLMFFY 	C48H63N7O9S	913.4408	NA	PeJP	NA	NA
+PJ078136	AAHHHRW 	C41H55N17O8	913.442	NA	PeJP	NA	NA
+PJ078137	VVLEEYY 	C44H63N7O14	913.4433	NA	PeJP	NA	NA
+PJ078138	STTMRRY 	C37H63N13O12S	913.444	NA	PeJP	NA	NA
+PJ078139	GGGGGGPPCKK 	C37H63N13O12S	913.4441	NA	PeJP	NA	NA
+PJ078140	PLLMMFY 	C45H67N7O9S2	913.4442	NA	PeJP	NA	NA
+PJ078141	ATTLHWW 	C45H59N11O10	913.4447	NA	PeJP	NA	NA
+PJ078142	PCKHHHR 	C38H59N17O8S	913.4454	NA	PeJP	NA	NA
+PJ078143	LLLMMMY 	C42H71N7O9S3	913.4476	NA	PeJP	NA	NA
+PJ078144	GSSSQHRR 	C34H59N17O13	913.4479	NA	PeJP	NA	NA
+PJ078145	ALKEMHW 	C42H63N11O10S	913.448	NA	PeJP	NA	NA
+PJ078146	PPVEMRW 	C42H63N11O10S	913.4481	NA	PeJP	NA	NA
+PJ078147	TKFFWW 	C50H59N9O8	913.4487	NA	PeJP	NA	NA
+PJ078148	SSSTTLRY 	C38H63N11O15	913.4505	NA	PeJP	NA	NA
+PJ078149	AAPLEEER 	C38H63N11O15	913.4506	NA	PeJP	NA	NA
+PJ078150	SVKMMRY 	C39H67N11O10S2	913.4514	NA	PeJP	NA	NA
+PJ078151	GPNERRW 	C39H59N15O11	913.4519	NA	PeJP	NA	NA
+PJ078152	PPVVMWW 	C47H63N9O8S	913.4521	NA	PeJP	NA	NA
+PJ078153	PLLQEEW 	C43H63N9O13	913.4546	NA	PeJP	NA	NA
+PJ078154	SQQKMHR 	C36H63N15O11S	913.4552	NA	PeJP	NA	NA
+PJ078155	SVEMHRR 	C36H63N15O11S	913.4553	NA	PeJP	NA	NA
+PJ078156	AAPQRWW 	C44H59N13O9	913.4559	NA	PeJP	NA	NA
+PJ078157	GTTTLKMY 	C40H67N9O13S	913.4579	NA	PeJP	NA	NA
+PJ078158	PPVVDKEM 	C40H67N9O13S	913.458	NA	PeJP	NA	NA
+PJ078159	PPVLYYY 	C48H63N7O11	913.4586	NA	PeJP	NA	NA
+PJ078160	VKKMMMF 	C41H71N9O8S3	913.4588	NA	PeJP	NA	NA
+PJ078161	ATLMHRW 	C41H63N13O9S	913.4593	NA	PeJP	NA	NA
+PJ078162	PVEEERR 	C37H63N13O14	913.4618	NA	PeJP	NA	NA
+PJ078163	VLLEMFY 	C45H67N7O11S	913.462	NA	PeJP	NA	NA
+PJ078164	VLQMMHR 	C38H67N13O9S2	913.4627	NA	PeJP	NA	NA
+PJ078165	GNQHFRR 	C38H59N17O10	913.4631	NA	PeJP	NA	NA
+PJ078166	KMFFRW 	C46H63N11O7S	913.4633	NA	PeJP	NA	NA
+PJ078167	PVVEERW 	C42H63N11O12	913.4658	NA	PeJP	NA	NA
+PJ078168	SCQKHRR 	C35H63N17O10S	913.4665	NA	PeJP	NA	NA
+PJ078169	PNRRWW 	C43H59N15O8	913.4671	NA	PeJP	NA	NA
+PJ078170	GGPRRWW 	C43H59N15O8	913.4672	NA	PeJP	NA	NA
+PJ078171	GSTCKKKY 	C39H67N11O12S	913.4692	NA	PeJP	NA	NA
+MJ097597	Kahalalide C 	C47H63N9O10	913.469789	NA	MeJP	NA	NA
+PJ078172	APLLEWW 	C47H63N9O10	913.4698	NA	PeJP	NA	NA
+PJ078173	GCKKHRW 	C40H63N15O8S	913.4705	NA	PeJP	NA	NA
+PJ078174	PNDKERR 	C36H63N15O13	913.473	NA	PeJP	NA	NA
+PJ078175	GGGGGGGGGLLR 	C36H63N15O13	913.4731	NA	PeJP	NA	NA
+PJ078176	GPPTLLMW 	C44H67N9O10S	913.4732	NA	PeJP	NA	NA
+PJ078177	ALMMHRR 	C37H67N15O8S2	913.4739	NA	PeJP	NA	NA
+PJ078178	ATHHHRR 	C37H59N19O9	913.4744	NA	PeJP	NA	NA
+PJ078179	STTTTLKY 	C40H67N9O15	913.4757	NA	PeJP	NA	NA
+PJ078180	TLKKMMY 	C41H71N9O10S2	913.4766	NA	PeJP	NA	NA
+PJ078181	TTTLHRW 	C41H63N13O11	913.477	NA	PeJP	NA	NA
+PJ078182	GAAPKERW 	C41H63N13O11	913.4771	NA	PeJP	NA	NA
+PJ078183	PLLMFFF 	C49H67N7O8S	913.4772	NA	PeJP	NA	NA
+PJ078184	TLLLEYY 	C45H67N7O13	913.4797	NA	PeJP	NA	NA
+PJ078185	TLKEMHR 	C38H67N13O11S	913.4804	NA	PeJP	NA	NA
+PJ078186	LLLMMFF 	C46H71N7O8S2	913.4806	NA	PeJP	NA	NA
+PJ078187	GPLQKWW 	C46H63N11O9	913.4811	NA	PeJP	NA	NA
+MJ097598	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H71NO15	913.48237	NA	MeJP	NA	NA
+MJ097599	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl), 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H71NO15	913.48237	NA	MeJP	NA	NA
+PJ078188	AQQQQRR 	C35H63N17O12	913.4842	NA	PeJP	NA	NA
+PJ078189	SPNERRR 	C35H63N17O12	913.4843	NA	PeJP	NA	NA
+PJ078190	SLLKMHW 	C43H67N11O9S	913.4844	NA	PeJP	NA	NA
+PJ078191	SSSSKKKY 	C39H67N11O14	913.4869	NA	PeJP	NA	NA
+PJ078192	GGGPLKKEE 	C39H67N11O14	913.487	NA	PeJP	NA	NA
+PJ078193	GPPLLMMR 	C40H71N11O9S2	913.4878	NA	PeJP	NA	NA
+PJ078194	GPDKRRW 	C40H63N15O10	913.4883	NA	PeJP	NA	NA
+PJ078195	SPPTTLLW 	C44H67N9O12	913.4909	NA	PeJP	NA	NA
+PJ078196	PLLKEEW 	C44H67N9O12	913.491	NA	PeJP	NA	NA
+PJ078197	TTLMHRR 	C37H67N15O10S	913.4916	NA	PeJP	NA	NA
+PJ078198	GGPLQMRR 	C37H67N15O10S	913.4917	NA	PeJP	NA	NA
+PJ078199	AAPKRWW 	C45H63N13O8	913.4923	NA	PeJP	NA	NA
+PJ078200	SPPLLKEM 	C41H71N9O12S	913.4943	NA	PeJP	NA	NA
+PJ078201	PVLLFYY 	C49H67N7O10	913.495	NA	PeJP	NA	NA
+PJ078202	GNQQRRR 	C34H63N19O11	913.4955	NA	PeJP	NA	NA
+PJ078203	PPCKKRW 	C42H67N13O8S	913.4957	NA	PeJP	NA	NA
+PJ078204	SSTTLLHR 	C38H67N13O13	913.4982	NA	PeJP	NA	NA
+PJ078205	VLLLMYY 	C46H71N7O10S	913.4983	NA	PeJP	NA	NA
+PJ078206	VLKMMHR 	C39H71N13O8S2	913.499	NA	PeJP	NA	NA
+PJ078207	GSPRRRW 	C39H63N17O9	913.4995	NA	PeJP	NA	NA
+PJ078208	PTLLERW 	C43H67N11O11	913.5022	NA	PeJP	NA	NA
+PJ078209	APQMRRR 	C36H67N17O9S	913.5029	NA	PeJP	NA	NA
+PJ078210	LHFRRW 	C44H63N15O7	913.5035	NA	PeJP	NA	NA
+PJ078211	GPVLLEMR 	C40H71N11O11S	913.5056	NA	PeJP	NA	NA
+MJ097600	Polycarponin A 	C48H67N9O9	913.506174	NA	MeJP	NA	NA
+PJ078212	SPLLLWW 	C48H67N9O9	913.5062	NA	PeJP	NA	NA
+PJ078213	PTQKERR 	C37H67N15O12	913.5094	NA	PeJP	NA	NA
+PJ078214	AAPLLLMW 	C45H71N9O9S	913.5096	NA	PeJP	NA	NA
+PJ078215	SPVLLKEE 	C41H71N9O14	913.5121	NA	PeJP	NA	NA
+PJ078216	PPVVLKMM 	C42H75N9O9S2	913.513	NA	PeJP	NA	NA
+PJ078217	APKKERW 	C42H67N13O10	913.5134	NA	PeJP	NA	NA
+PJ078218	APCRRRR 	C35H67N19O8S	913.5141	NA	PeJP	NA	NA
+PJ078219	PLLEMRR 	C39H71N13O10S	913.5168	NA	PeJP	NA	NA
+PJ078220	VVVKHFW 	C47H67N11O8	913.5174	NA	PeJP	NA	NA
+PJ078221	GPLKKWW 	C47H67N11O8	913.5175	NA	PeJP	NA	NA
+PJ078222	GLQERRR 	C36H67N17O11	913.5206	NA	PeJP	NA	NA
+PJ078223	GGALERRR 	C36H67N17O11	913.5207	NA	PeJP	NA	NA
+PJ078224	PVLLMRW 	C44H71N11O8S	913.5208	NA	PeJP	NA	NA
+PJ078225	AALLLEER 	C40H71N11O13	913.5233	NA	PeJP	NA	NA
+PJ078226	APTKRRW 	C41H67N15O9	913.5247	NA	PeJP	NA	NA
+PJ078227	LLLLQEW 	C45H71N9O11	913.5273	NA	PeJP	NA	NA
+PJ078228	GALLLLEW 	C45H71N9O11	913.5274	NA	PeJP	NA	NA
+PJ078229	PVQKMRR 	C38H71N15O9S	913.528	NA	PeJP	NA	NA
+PJ078230	APLLLKEM 	C42H75N9O11S	913.5307	NA	PeJP	NA	NA
+PJ078231	VLLLFFY 	C50H71N7O9	913.5314	NA	PeJP	NA	NA
+PJ078232	AAERRRR 	C35H67N19O10	913.5319	NA	PeJP	NA	NA
+PJ078233	LLQQKER 	C39H71N13O12	913.5345	NA	PeJP	NA	NA
+PJ078234	VLLEERR 	C39H71N13O12	913.5346	NA	PeJP	NA	NA
+PJ078235	LQRRRW 	C40H67N17O8	913.5359	NA	PeJP	NA	NA
+PJ078236	VVLLERW 	C44H71N11O10	913.5386	NA	PeJP	NA	NA
+PJ078237	APKMRRR 	C37H71N17O8S	913.5393	NA	PeJP	NA	NA
+MJ097601	Antibiotic A 661I 	C47H79NO16	913.539885	NA	MeJP	NA	NA
+MetaCyc04303	tylosin []	C47H79N1O16	913.539885	1401-69-0	metacyc	NA	NA
+PJ078238	APTLLLMR 	C41H75N11O10S	913.542	NA	PeJP	NA	NA
+PJ078239	ALLLLWW 	C49H71N9O8	913.5426	NA	PeJP	NA	NA
+PJ078240	DRRRRR 	C34H67N21O9	913.5431	NA	PeJP	NA	NA
+PJ078241	PTKKERR 	C38H71N15O11	913.5458	NA	PeJP	NA	NA
+PJ078242	GLLLLKEE 	C42H75N9O13	913.5485	NA	PeJP	NA	NA
+PJ078243	SPLKKRW 	C43H71N13O9	913.5498	NA	PeJP	NA	NA
+PJ078244	AAPLKKMR 	C40H75N13O9S	913.5532	NA	PeJP	NA	NA
+C07909	Sirolimus	C51H79NO13	913.5551	NA	KEGG	NA	NA
+MJ097602	Rapamycin 	C51H79NO13	913.555141	NA	MeJP	NA	NA
+PJ078245	GLKERRR 	C37H71N17O10	913.557	NA	PeJP	NA	NA
+PJ078246	GTLLLLER 	C41H75N11O12	913.5597	NA	PeJP	NA	NA
+PJ078247	GVLKRRW 	C42H71N15O8	913.5611	NA	PeJP	NA	NA
+PJ078248	LLLLKEW 	C46H75N9O10	913.5637	NA	PeJP	NA	NA
+PJ078249	PVKKMRR 	C39H75N15O8S	913.5644	NA	PeJP	NA	NA
+PJ078250	SPLLLLKM 	C43H79N9O10S	913.5671	NA	PeJP	NA	NA
+PJ078251	GTLRRRR 	C36H71N19O9	913.5683	NA	PeJP	NA	NA
+PJ078252	LLQKKER 	C40H75N13O11	913.5709	NA	PeJP	NA	NA
+PJ078253	GALLKKER 	C40H75N13O11	913.571	NA	PeJP	NA	NA
+PJ078254	LKRRRW 	C41H71N17O7	913.5723	NA	PeJP	NA	NA
+PJ078255	TLLLLRW 	C45H75N11O9	913.575	NA	PeJP	NA	NA
+PJ078256	GVLLLLMR 	C42H79N11O9S	913.5783	NA	PeJP	NA	NA
+PJ078257	VVKKERR 	C39H75N15O10	913.5822	NA	PeJP	NA	NA
+PJ078258	SVLLLLKE 	C43H79N9O12	913.5849	NA	PeJP	NA	NA
+PJ078259	ALLKKRW 	C44H75N13O8	913.5862	NA	PeJP	NA	NA
+PJ078260	LLLLMRR 	C41H79N13O8S	913.5896	NA	PeJP	NA	NA
+PJ078261	SVLKRRR 	C38H75N17O9	913.5934	NA	PeJP	NA	NA
+PJ078262	SSLLLLLR 	C42H79N11O11	913.5961	NA	PeJP	NA	NA
+MJ097603	Circulocin ?; 3'-Deoxy 	C47H79N9O9	913.600075	NA	MeJP	NA	NA
+PJ078263	APLLLLKF 	C47H79N9O9	913.6001	NA	PeJP	NA	NA
+PJ078264	ALLLLLKM 	C44H83N9O9S	913.6035	NA	PeJP	NA	NA
+PJ078265	LLKKKER 	C41H79N13O10	913.6073	NA	PeJP	NA	NA
+PJ078266	VLLKKKW 	C46H79N11O8	913.6113	NA	PeJP	NA	NA
+PJ078267	TLLKKRR 	C40H79N15O9	913.6186	NA	PeJP	NA	NA
+PJ078268	TTLLLLLK 	C44H83N9O11	913.6212	NA	PeJP	NA	NA
+PJ078269	AKKKKRR 	C39H79N17O8	913.6298	NA	PeJP	NA	NA
+PJ078270	ATLLLKKK 	C43H83N11O10	913.6325	NA	PeJP	NA	NA
+PJ078271	AALKKKKK 	C42H83N13O9	913.6437	NA	PeJP	NA	NA
+PJ078272	VKKKKKR 	C41H83N15O8	913.6549	NA	PeJP	NA	NA
+HMDB09740	PE(24:0/24:1(15Z))	C53H104NO8P	913.749939	NA	HMDB2010	NA	NA
+HMDB09772	PE(24:1(15Z)/24:0)	C53H104NO8P	913.749939	NA	HMDB2010	NA	NA
+MJ097604	3,3',4',5,5',7-Hexahydroxyflavan-(4?8)-3,3',4',5,5',7-hexahydroxyflavan, 3,3'-Bis(3,4,5-trihydroxybenzoyl) 	C44H34O22	914.154172	NA	MeJP	NA	NA
+MJ097605	3,3',4',5,7-Pentahydroxyflavan(4?6)-3,3',4',5,7-pentahydroxyflavan, 5'',5'''-Dihydroxy,3,3'-bis(3,4,5-trihydroxybenzoyl) 	C44H34O22	914.154172	NA	MeJP	NA	NA
+MJ097606	Theasinensin C; 3,3'-Bis(3,4,5-trihydroxybenzoyl) 	C44H34O22	914.154172	NA	MeJP	NA	NA
+MJ097607	Theasinensin C; Atropisomer, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl) 	C44H34O22	914.154172	NA	MeJP	NA	NA
+C09972	Theasinensin A	C44H34O22	914.1542	NA	KEGG	NA	NA
+PJ078273	CCCCCCDY 	C31H46N8O12S6	914.156	NA	PeJP	NA	NA
+PJ078274	CCCCCCMF 	C32H50N8O9S7	914.1746	NA	PeJP	NA	NA
+C16833	beta-Phenylalanoyl-CoA	C30H45N8O17P3S	914.1836	NA	KEGG	NA	NA
+PJ078275	CCCCCDEH 	C30H46N10O13S5	914.185	NA	PeJP	NA	NA
+MJ097608	3,3',4',5,5',7-Hexahydroxyflavan(4?8)-3,3'4',5,5',7-hexahydroxyflavan(4?8)-3,3',4',5,5',7-hexahydroxyflavan 	C45H38O21	914.190558	NA	MeJP	NA	NA
+PJ078276	CCDDDDDD 	C30H42N8O21S2	914.1906	NA	PeJP	NA	NA
+PJ078277	SCCCCCMY 	C32H50N8O11S6	914.1924	NA	PeJP	NA	NA
+PJ078278	CCCNNDDE 	C30H46N10O17S3	914.2205	NA	PeJP	NA	NA
+PJ078279	SCCCCEMH 	C31H50N10O12S5	914.2214	NA	PeJP	NA	NA
+PJ078280	ACCCCCFY 	C36H50N8O10S5	914.2254	NA	PeJP	NA	NA
+PJ078281	SCDDDDDM 	C31H46N8O20S2	914.227	NA	PeJP	NA	NA
+PJ078282	PCCCDDEM 	C32H50N8O15S4	914.2279	NA	PeJP	NA	NA
+PJ078283	GCCCNDDW 	C34H46N10O14S3	914.2358	NA	PeJP	NA	NA
+PJ078284	PCCCCCHF 	C35H50N10O9S5	914.2366	NA	PeJP	NA	NA
+PJ078285	GSSCCNDDD 	C30H46N10O19S2	914.2383	NA	PeJP	NA	NA
+PJ078286	GSPCCCCNE 	C31H50N10O14S4	914.2391	NA	PeJP	NA	NA
+PJ078287	GCCCMMMH 	C32H54N10O9S6	914.24	NA	PeJP	NA	NA
+PJ078288	GTCCCCYY 	C36H50N8O12S4	914.2431	NA	PeJP	NA	NA
+PJ078289	GCDDDEMM 	C32H50N8O17S3	914.2457	NA	PeJP	NA	NA
+PJ078290	CCCNNNNM 	C30H50N12O13S4	914.2503	NA	PeJP	NA	NA
+PJ078291	GGCCCNNNM 	C30H50N12O13S4	914.2504	NA	PeJP	NA	NA
+PJ078292	SPCCCCNW 	C35H50N10O11S4	914.2544	NA	PeJP	NA	NA
+PJ078293	SCCNNDEM 	C31H50N10O16S3	914.2569	NA	PeJP	NA	NA
+PJ078294	STCCCMMH 	C32H54N10O11S5	914.2577	NA	PeJP	NA	NA
+PJ078295	GGPCCCNMM 	C32H54N10O11S5	914.2578	NA	PeJP	NA	NA
+PJ078296	GCDDDDEF 	C35H46N8O19S	914.26	NA	PeJP	NA	NA
+PJ078297	CDDDMMW 	C36H50N8O14S3	914.2609	NA	PeJP	NA	NA
+PJ078298	SSDDDDMM 	C32H50N8O19S2	914.2634	NA	PeJP	NA	NA
+PJ078299	SPCCDEMM 	C33H54N8O14S4	914.2643	NA	PeJP	NA	NA
+PJ078300	GCCDDEHH 	C33H46N12O15S2	914.2648	NA	PeJP	NA	NA
+PJ078301	PPCCCMMM 	C34H58N8O9S6	914.2651	NA	PeJP	NA	NA
+PJ078302	SCCCNDDR 	C30H50N12O15S3	914.2681	NA	PeJP	NA	NA
+PJ078303	PCCCCCQR 	C31H54N12O10S5	914.269	NA	PeJP	NA	NA
+MJ097609	Blumeoside B; 5'-Hydroxy 	C40H50O24	914.269202	NA	MeJP	NA	NA
+PJ078304	GCNNDDDY 	C34H46N10O18S	914.2713	NA	PeJP	NA	NA
+PJ078305	GSCCNDMW 	C35H50N10O13S3	914.2721	NA	PeJP	NA	NA
+PJ078306	GGGGPCCCDF 	C35H50N10O13S3	914.2722	NA	PeJP	NA	NA
+PJ078307	GSSSCNDDM 	C31H50N10O18S2	914.2746	NA	PeJP	NA	NA
+PJ078308	CDDDDFW 	C39H46N8O16S	914.2753	NA	PeJP	NA	NA
+PJ078309	GCNNDMMM 	C32H54N10O13S4	914.2755	NA	PeJP	NA	NA
+PJ078310	CCCNFYY 	C40H50N8O11S3	914.2761	NA	PeJP	NA	NA
+PJ078311	GGCCCFYY 	C40H50N8O11S3	914.2762	NA	PeJP	NA	NA
+PJ078312	GSDDDDEY 	C35H46N8O21	914.2778	NA	PeJP	NA	NA
+PJ078313	GPCDDDMY 	C36H50N8O16S2	914.2787	NA	PeJP	NA	NA
+PJ078314	PPCCCDMF 	C37H54N8O11S4	914.2795	NA	PeJP	NA	NA
+PJ078315	CCDDHHW 	C37H46N12O12S2	914.28	NA	PeJP	NA	NA
+PJ078316	GSDDEMMM 	C33H54N8O16S3	914.282	NA	PeJP	NA	NA
+PJ078317	SSCDDDHH 	C33H46N12O17S	914.2825	NA	PeJP	NA	NA
+PJ078318	GPCDMMMM 	C34H58N8O11S5	914.2829	NA	PeJP	NA	NA
+PJ078319	SPCCCEHH 	C34H50N12O12S3	914.2834	NA	PeJP	NA	NA
+PJ078320	SSSSCCNNN 	C30H50N12O17S2	914.2859	NA	PeJP	NA	NA
+PJ078321	GCCCNEMR 	C31H54N12O12S4	914.2867	NA	PeJP	NA	NA
+PJ078322	GGGCCCEMR 	C31H54N12O12S4	914.2868	NA	PeJP	NA	NA
+PJ078323	SCCCQWW 	C39H50N10O10S3	914.2874	NA	PeJP	NA	NA
+PJ078324	SPDDDDDH 	C34H46N10O20	914.289	NA	PeJP	NA	NA
+PJ078325	SSSCCNEW 	C35H50N10O15S2	914.2899	NA	PeJP	NA	NA
+PJ078326	CCNQMMW 	C36H54N10O10S4	914.2908	NA	PeJP	NA	NA
+PJ078327	SSSSSCNDE 	C31H50N10O20S	914.2924	NA	PeJP	NA	NA
+PJ078328	SDDDDYW 	C39H46N8O18	914.293	NA	PeJP	NA	NA
+PJ078329	SSCNNEMM 	C32H54N10O15S3	914.2933	NA	PeJP	NA	NA
+PJ078330	PCCDEYW 	C40H50N8O13S2	914.2939	NA	PeJP	NA	NA
+PJ078331	PCCCCQKM 	C33H58N10O10S5	914.2941	NA	PeJP	NA	NA
+PJ078332	GCCNNMHH 	C33H50N14O11S3	914.2946	NA	PeJP	NA	NA
+MJ097610	Perdeacylwilfortrine; 2-(1-Methyl-6-oxo-3-pyridinecarbonyl), 1,6,8,9,14-penta-Ac 	C43H50N2O20	914.295692	NA	MeJP	NA	NA
+PJ078333	NDDEEMY 	C36H50N8O18S	914.2964	NA	PeJP	NA	NA
+PJ078334	SDDMMMW 	C37H54N8O13S3	914.2973	NA	PeJP	NA	NA
+PJ078335	GCCCCDRR 	C30H54N14O11S4	914.298	NA	PeJP	NA	NA
+PJ078336	SSSDEEMM 	C33H54N8O18S2	914.2998	NA	PeJP	NA	NA
+PJ078337	GNNDDDEH 	C33H46N12O19	914.3003	NA	PeJP	NA	NA
+PJ078338	NEEMMMM 	C34H58N8O13S4	914.3006	NA	PeJP	NA	NA
+PJ078339	GGEEMMMM 	C34H58N8O13S4	914.3007	NA	PeJP	NA	NA
+PJ078340	GCCNNNQY 	C34H50N12O14S2	914.3011	NA	PeJP	NA	NA
+PJ078341	GGGGGGGGACCY 	C34H50N12O14S2	914.3012	NA	PeJP	NA	NA
+PJ078342	CCCNMRW 	C35H54N12O9S4	914.302	NA	PeJP	NA	NA
+PJ078343	SSCCNDMR 	C31H54N12O14S3	914.3045	NA	PeJP	NA	NA
+PJ078344	GSSSCCWW 	C39H50N10O12S2	914.3051	NA	PeJP	NA	NA
+PJ078345	GGCCNEFW 	C39H50N10O12S2	914.3052	NA	PeJP	NA	NA
+PJ078346	PCCCCCKR 	C32H58N12O9S5	914.3054	NA	PeJP	NA	NA
+PJ078347	GSSSSSCDW 	C35H50N10O17S	914.3076	NA	PeJP	NA	NA
+PJ078348	CDDDERY 	C35H50N10O17S	914.3077	NA	PeJP	NA	NA
+PJ078349	GSSCNMMW 	C36H54N10O12S3	914.3085	NA	PeJP	NA	NA
+PJ078350	GSSSSSSSDD 	C31H50N10O22	914.3101	NA	PeJP	NA	NA
+MJ097611	Perdeacylalatusamine; 1-(3-Pyridinecarbonyl), 2-benzoyl, 6,8,9,14-tetra-Ac 	C47H50N2O17	914.310948	NA	MeJP	NA	NA
+PJ078351	GSSSSNDMM 	C32H54N10O17S2	914.311	NA	PeJP	NA	NA
+PJ078352	GDDEMYW 	C40H50N8O15S	914.3117	NA	PeJP	NA	NA
+PJ078353	CDEMMMR 	C33H58N10O12S4	914.3119	NA	PeJP	NA	NA
+PJ078354	SSCCNQHH 	C33H50N14O13S2	914.3124	NA	PeJP	NA	NA
+PJ078355	PCCEMFW 	C41H54N8O10S3	914.3125	NA	PeJP	NA	NA
+PJ078356	GSSDEEEY 	C36H50N8O20	914.3142	NA	PeJP	NA	NA
+PJ078357	GSPDDMMY 	C37H54N8O15S2	914.315	NA	PeJP	NA	NA
+PJ078358	GGDEEMMF 	C37H54N8O15S2	914.3151	NA	PeJP	NA	NA
+PJ078359	NNDDDHW 	C37H46N12O16	914.3155	NA	PeJP	NA	NA
+PJ078360	GEMMMMW 	C38H58N8O10S4	914.3159	NA	PeJP	NA	NA
+PJ078361	SCDMHHW 	C38H50N12O11S2	914.3164	NA	PeJP	NA	NA
+PJ078362	GSTEEMMM 	C34H58N8O15S3	914.3184	NA	PeJP	NA	NA
+PJ078363	SSCNNNNY 	C34H50N12O16S	914.3189	NA	PeJP	NA	NA
+PJ078364	GSPMMMMM 	C35H62N8O10S5	914.3193	NA	PeJP	NA	NA
+PJ078365	NDMMMHH 	C35H54N12O11S3	914.3197	NA	PeJP	NA	NA
+PJ078366	GSTCCCRW 	C35H54N12O11S3	914.3198	NA	PeJP	NA	NA
+PJ078367	GCCNFWW 	C43H50N10O9S2	914.3204	NA	PeJP	NA	NA
+PJ078368	GSSSSCCER 	C31H54N12O16S2	914.3223	NA	PeJP	NA	NA
+PJ078369	SCNNEYW 	C39H50N10O14S	914.3229	NA	PeJP	NA	NA
+PJ078370	GSCCQMMR 	C32H58N12O11S4	914.3231	NA	PeJP	NA	NA
+PJ078371	SCCCKWW 	C40H54N10O9S3	914.3238	NA	PeJP	NA	NA
+PJ078372	SSSNNDEY 	C35H50N10O19	914.3254	NA	PeJP	NA	NA
+PJ078373	SSSSCQMW 	C36H54N10O14S2	914.3263	NA	PeJP	NA	NA
+PJ078374	DDMYWW 	C44H50N8O12S	914.3269	NA	PeJP	NA	NA
+PJ078375	CCNKMMW 	C37H58N10O9S4	914.3271	NA	PeJP	NA	NA
+PJ078376	GGCCKMMW 	C37H58N10O9S4	914.3272	NA	PeJP	NA	NA
+PJ078377	SSSSSSNEM 	C32H54N10O19S	914.3288	NA	PeJP	NA	NA
+PJ078378	SSDEEYW 	C40H50N8O17	914.3294	NA	PeJP	NA	NA
+PJ078379	SSSNQMMM 	C33H58N10O14S3	914.3296	NA	PeJP	NA	NA
+PJ078380	GGGGSSTMMM 	C33H58N10O14S3	914.3297	NA	PeJP	NA	NA
+PJ078381	GSSSSCNHH 	C33H50N14O15S	914.3301	NA	PeJP	NA	NA
+PJ078382	GGGGGGGGGDMH 	C33H50N14O15S	914.3302	NA	PeJP	NA	NA
+PJ078383	SPCEMYW 	C41H54N8O12S2	914.3303	NA	PeJP	NA	NA
+PJ078384	PCCCCKKM 	C34H62N10O9S5	914.3305	NA	PeJP	NA	NA
+PJ078385	CCEMHHR 	C34H54N14O10S3	914.331	NA	PeJP	NA	NA
+PJ078386	MMMMWW 	C42H58N8O7S4	914.3312	NA	PeJP	NA	NA
+PJ078387	SQEEEMY 	C37H54N8O17S	914.3328	NA	PeJP	NA	NA
+PJ078388	DEYYYY 	C45H50N6O15	914.3334	NA	PeJP	NA	NA
+PJ078389	STEMMMW 	C38H58N8O12S3	914.3337	NA	PeJP	NA	NA
+PJ078390	GSPCNDHW 	C38H50N12O13S	914.3341	NA	PeJP	NA	NA
+PJ078391	GGGSPCDHW 	C38H50N12O13S	914.3342	NA	PeJP	NA	NA
+PJ078392	GSCCCMRR 	C31H58N14O10S4	914.3344	NA	PeJP	NA	NA
+PJ078393	ACMMHHW 	C39H54N12O8S3	914.335	NA	PeJP	NA	NA
+PJ078394	SSTTEEMM 	C34H58N8O17S2	914.3362	NA	PeJP	NA	NA
+PJ078395	GSNNEEEH 	C34H50N12O18	914.3366	NA	PeJP	NA	NA
+PJ078396	DDDEEHR 	C34H50N12O18	914.3367	NA	PeJP	NA	NA
+PJ078397	DKEMMMM 	C35H62N8O12S4	914.337	NA	PeJP	NA	NA
+PJ078398	SSSSCCRW 	C35H54N12O13S2	914.3375	NA	PeJP	NA	NA
+PJ078399	GSCNYWW 	C43H50N10O11S	914.3382	NA	PeJP	NA	NA
+PJ078400	CNMHHHH 	C36H50N16O9S2	914.3389	NA	PeJP	NA	NA
+PJ078401	SSSSSSCDR 	C31H54N12O18S	914.34	NA	PeJP	NA	NA
+PJ078402	GSSSNDYW 	C39H50N10O16	914.3407	NA	PeJP	NA	NA
+PJ078403	SSSCNMMR 	C32H58N12O13S3	914.3409	NA	PeJP	NA	NA
+PJ078404	GNNMMYW 	C40H54N10O11S2	914.3415	NA	PeJP	NA	NA
+PJ078405	GGGGAPCCFF 	C40H54N10O11S2	914.3416	NA	PeJP	NA	NA
+MJ097612	Jasmosidic acid 	C42H58O22	914.341973	NA	MeJP	NA	NA
+MJ097613	Rhodenthoside A 	C42H58O22	914.341973	NA	MeJP	NA	NA
+PJ078406	GSSSSSSMW 	C36H54N10O16S	914.344	NA	PeJP	NA	NA
+PJ078407	GGGSPPPCDE 	C36H54N10O16S	914.3441	NA	PeJP	NA	NA
+PJ078408	GPDDYYW 	C44H50N8O14	914.3447	NA	PeJP	NA	NA
+PJ078409	GSTCCKMW 	C37H58N10O11S3	914.3449	NA	PeJP	NA	NA
+PJ078410	CNNNQHW 	C37H50N14O12S	914.3454	NA	PeJP	NA	NA
+PJ078411	DMMFWW 	C45H54N8O9S2	914.3456	NA	PeJP	NA	NA
+PJ078412	GSSSSSSSTE 	C32H54N10O21	914.3465	NA	PeJP	NA	NA
+PJ078413	GSSSSTQMM 	C33H58N10O16S2	914.3474	NA	PeJP	NA	NA
+PJ078414	GSNDDDHR 	C33H50N14O17	914.3479	NA	PeJP	NA	NA
+PJ078415	GTEEMYW 	C41H54N8O14S	914.3481	NA	PeJP	NA	NA
+PJ078416	SEMMMMR 	C34H62N10O11S4	914.3483	NA	PeJP	NA	NA
+PJ078417	APCCNDHR 	C34H54N14O12S2	914.3487	NA	PeJP	NA	NA
+PJ078418	GPCCNEHR 	C34H54N14O12S2	914.3488	NA	PeJP	NA	NA
+PJ078419	GPMMMYW 	C42H58N8O9S3	914.3489	NA	PeJP	NA	NA
+PJ078420	GCEHHFW 	C42H50N12O10S	914.3494	NA	PeJP	NA	NA
+PJ078421	ASSTEEEY 	C37H54N8O19	914.3505	NA	PeJP	NA	NA
+PJ078422	GSTTEEEY 	C37H54N8O19	914.3506	NA	PeJP	NA	NA
+PJ078423	VNEEMMY 	C38H58N8O14S2	914.3514	NA	PeJP	NA	NA
+PJ078424	SNNEEHW 	C38H50N12O15	914.3519	NA	PeJP	NA	NA
+PJ078425	EMFYYY 	C46H54N6O12S	914.3521	NA	PeJP	NA	NA
+PJ078426	SVMMMMW 	C39H62N8O9S4	914.3523	NA	PeJP	NA	NA
+PJ078427	GCCQRYW 	C39H54N12O10S2	914.3528	NA	PeJP	NA	NA
+PJ078428	SSSLEMMM 	C35H62N8O14S3	914.3548	NA	PeJP	NA	NA
+PJ078429	GSSCNERY 	C35H54N12O15S	914.3553	NA	PeJP	NA	NA
+PJ078430	LQMMMMM 	C36H66N8O9S5	914.3557	NA	PeJP	NA	NA
+PJ078431	EEEHWW 	C43H50N10O13	914.3559	NA	PeJP	NA	NA
+PJ078432	CNNMMFR 	C36H58N12O10S3	914.3561	NA	PeJP	NA	NA
+PJ078433	GGGGCMMFR 	C36H58N12O10S3	914.3562	NA	PeJP	NA	NA
+PJ078434	GSTCHHHH 	C36H50N16O11S	914.3566	NA	PeJP	NA	NA
+MJ097614	Antibiotic BA 12100Z1; 4'''-O-(2-Carboxyacetyl) 	C46H58O19	914.357229	NA	MeJP	NA	NA
+PJ078435	GSSSSTCMR 	C32H58N12O15S2	914.3586	NA	PeJP	NA	NA
+PJ078436	SSNQMYW 	C40H54N10O13S	914.3593	NA	PeJP	NA	NA
+PJ078437	GSCCKMMR 	C33H62N12O10S4	914.3595	NA	PeJP	NA	NA
+PJ078438	DDFFWW 	C48H50N8O11	914.3599	NA	PeJP	NA	NA
+PJ078439	CCKMHFF 	C41H58N10O8S3	914.3602	NA	PeJP	NA	NA
+PJ078440	SSSSSSSTW 	C36H54N10O18	914.3618	NA	PeJP	NA	NA
+PJ078441	SQQQMMY 	C37H58N10O13S2	914.3626	NA	PeJP	NA	NA
+PJ078442	SSSSCKMW 	C37H58N10O13S2	914.3627	NA	PeJP	NA	NA
+PJ078443	GSSNNNHW 	C37H50N14O14	914.3631	NA	PeJP	NA	NA
+PJ078444	GGGGGGGSSHW 	C37H50N14O14	914.3632	NA	PeJP	NA	NA
+PJ078445	TEMYWW 	C45H54N8O11S	914.3633	NA	PeJP	NA	NA
+PJ078446	PCMMMFR 	C38H62N10O8S4	914.3635	NA	PeJP	NA	NA
+PJ078447	PCCNHRW 	C38H54N14O9S2	914.364	NA	PeJP	NA	NA
+PJ078448	CHHFWW 	C46H50N12O7S	914.3647	NA	PeJP	NA	NA
+PJ078449	SSSSSTTQM 	C33H58N10O18S	914.3651	NA	PeJP	NA	NA
+PJ078450	SSSSSSDKM 	C33H58N10O18S	914.3652	NA	PeJP	NA	NA
+PJ078451	STTEEYW 	C41H54N8O16	914.3658	NA	PeJP	NA	NA
+PJ078452	SSSNKMMM 	C34H62N10O13S3	914.366	NA	PeJP	NA	NA
+PJ078453	NNDEMHR 	C34H54N14O14S	914.3665	NA	PeJP	NA	NA
+PJ078454	GVEMMYW 	C42H58N8O11S2	914.3667	NA	PeJP	NA	NA
+PJ078455	CLMMMMR 	C35H66N10O8S5	914.3669	NA	PeJP	NA	NA
+PJ078456	GSNEHWW 	C42H50N12O12	914.3672	NA	PeJP	NA	NA
+PJ078457	CCCQFRR 	C35H58N14O9S3	914.3674	NA	PeJP	NA	NA
+PJ078458	SKEEEMY 	C38H58N8O16S	914.3692	NA	PeJP	NA	NA
+PJ078459	ASPTMMMF 	C39H62N8O11S3	914.37	NA	PeJP	NA	NA
+PJ078460	PDKMMMY 	C39H62N8O11S3	914.3701	NA	PeJP	NA	NA
+PJ078461	SSCNRYW 	C39H54N12O12S	914.3705	NA	PeJP	NA	NA
+PJ078462	GGGGGGAPPCW 	C39H54N12O12S	914.3706	NA	PeJP	NA	NA
+PJ078463	TTTTTEMM 	C35H62N8O16S2	914.3725	NA	PeJP	NA	NA
+PJ078464	SSSSNDRY 	C35H54N12O17	914.373	NA	PeJP	NA	NA
+PJ078465	GGGGGGAPQEE 	C35H54N12O17	914.3731	NA	PeJP	NA	NA
+PJ078466	GTTLMMMM 	C36H66N8O11S4	914.3734	NA	PeJP	NA	NA
+PJ078467	SNNMMRY 	C36H58N12O12S2	914.3739	NA	PeJP	NA	NA
+PJ078468	SSSSHHHH 	C36H50N16O13	914.3744	NA	PeJP	NA	NA
+PJ078469	GNNMFFW 	C44H54N10O10S	914.3745	NA	PeJP	NA	NA
+PJ078470	GGGNMFFW 	C44H54N10O10S	914.3746	NA	PeJP	NA	NA
+PJ078471	SSSSSSSMR 	C32H58N12O17S	914.3764	NA	PeJP	NA	NA
+PJ078472	GSSSTQYW 	C40H54N10O15	914.377	NA	PeJP	NA	NA
+PJ078473	SVEEEHW 	C40H54N10O15	914.3771	NA	PeJP	NA	NA
+PJ078474	SSTCCKMR 	C33H62N12O12S3	914.3773	NA	PeJP	NA	NA
+PJ078475	CNDDHRR 	C33H54N16O13S	914.3777	NA	PeJP	NA	NA
+PJ078476	GGCDDHRR 	C33H54N16O13S	914.3778	NA	PeJP	NA	NA
+PJ078477	EMMRYW 	C41H58N10O10S2	914.3779	NA	PeJP	NA	NA
+PJ078478	SPDHHHW 	C41H50N14O11	914.3784	NA	PeJP	NA	NA
+PJ078479	STEEMRY 	C37H58N10O15S	914.3804	NA	PeJP	NA	NA
+PJ078480	GPTEYYW 	C45H54N8O13	914.3811	NA	PeJP	NA	NA
+PJ078481	SPMMMRY 	C38H62N10O10S3	914.3813	NA	PeJP	NA	NA
+PJ078482	GNDMHRW 	C38H54N14O11S	914.3818	NA	PeJP	NA	NA
+PJ078483	VMMYWW 	C46H58N8O8S2	914.3819	NA	PeJP	NA	NA
+PJ078484	SNHWWW 	C46H50N12O9	914.3824	NA	PeJP	NA	NA
+PJ078485	SSSSSSSSSL 	C33H58N10O20	914.3829	NA	PeJP	NA	NA
+PJ078486	GSSSSTKMM 	C34H62N10O15S2	914.3838	NA	PeJP	NA	NA
+PJ078487	SSSNQQQH 	C34H54N14O16	914.3842	NA	PeJP	NA	NA
+PJ078488	GSSNEEHR 	C34H54N14O16	914.3843	NA	PeJP	NA	NA
+PJ078489	SSLEMYW 	C42H58N8O13S	914.3844	NA	PeJP	NA	NA
+PJ078490	GGVEEMFF 	C42H58N8O13S	914.3845	NA	PeJP	NA	NA
+PJ078491	GSCKKMMM 	C35H66N10O10S4	914.3847	NA	PeJP	NA	NA
+PJ078492	PFYYYY 	C50H54N6O11	914.3851	NA	PeJP	NA	NA
+PJ078493	GLMMMFW 	C43H62N8O8S3	914.3853	NA	PeJP	NA	NA
+PJ078494	QQMHWW 	C43H54N12O9S	914.3858	NA	PeJP	NA	NA
+PJ078495	SSSTLEEY 	C38H58N8O18	914.3869	NA	PeJP	NA	NA
+PJ078496	SPPVEEEE 	C38H58N8O18	914.387	NA	PeJP	NA	NA
+PJ078497	VDKEMMY 	C39H62N8O13S2	914.3878	NA	PeJP	NA	NA
+PJ078498	SNDKEHW 	C39H54N12O14	914.3883	NA	PeJP	NA	NA
+PJ078499	LMYYYY 	C47H58N6O11S	914.3884	NA	PeJP	NA	NA
+PJ078500	PKMMMMF 	C40H66N8O8S4	914.3887	NA	PeJP	NA	NA
+PJ078501	GCCKRYW 	C40H58N12O9S2	914.3892	NA	PeJP	NA	NA
+PJ078502	GNQHHHW 	C40H50N16O10	914.3896	NA	PeJP	NA	NA
+PJ078503	STTTLMMM 	C36H66N8O13S3	914.3912	NA	PeJP	NA	NA
+PJ078504	GSSSQMRY 	C36H58N12O14S	914.3916	NA	PeJP	NA	NA
+PJ078505	GGGSSTMRY 	C36H58N12O14S	914.3917	NA	PeJP	NA	NA
+PJ078506	LKMMMMM 	C37H70N8O8S5	914.3921	NA	PeJP	NA	NA
+PJ078507	SPPNEWW 	C44H54N10O12	914.3923	NA	PeJP	NA	NA
+PJ078508	CCQKMFR 	C37H62N12O9S3	914.3925	NA	PeJP	NA	NA
+PJ078509	PCEHHHR 	C37H54N16O10S	914.393	NA	PeJP	NA	NA
+MJ097615	Chukrasins; Chukrasin B 	C47H62O18	914.393615	NA	MeJP	NA	NA
+PJ078510	SSSNNNHR 	C33H54N16O15	914.3955	NA	PeJP	NA	NA
+PJ078511	SSNKMYW 	C41H58N10O12S	914.3957	NA	PeJP	NA	NA
+PJ078512	PTYYWW 	C49H54N8O10	914.3963	NA	PeJP	NA	NA
+PJ078513	GSPCCHRR 	C34H58N16O10S2	914.3964	NA	PeJP	NA	NA
+PJ078514	CQHRWW 	C42H54N14O8S	914.397	NA	PeJP	NA	NA
+PJ078515	SSSSQKEY 	C37H58N10O17	914.3982	NA	PeJP	NA	NA
+PJ078516	SVEMMRY 	C38H62N10O12S2	914.399	NA	PeJP	NA	NA
+PJ078517	GGGATKMMY 	C38H62N10O12S2	914.3991	NA	PeJP	NA	NA
+PJ078518	SSNEHRW 	C38H54N14O13	914.3995	NA	PeJP	NA	NA
+PJ078519	GGGGGGGGGVHF 	C38H54N14O13	914.3996	NA	PeJP	NA	NA
+PJ078520	GPVMYYW 	C46H58N8O10S	914.3997	NA	PeJP	NA	NA
+PJ078521	GMMHHFR 	C39H58N14O8S2	914.4004	NA	PeJP	NA	NA
+PJ078522	PNHHHHH 	C39H50N18O9	914.4009	NA	PeJP	NA	NA
+PJ078523	SSSSSTTKM 	C34H62N10O17S	914.4015	NA	PeJP	NA	NA
+PJ078524	SPKEEYY 	C42H58N8O15	914.4022	NA	PeJP	NA	NA
+PJ078525	SSTCKKMM 	C35H66N10O12S3	914.4024	NA	PeJP	NA	NA
+PJ078526	GSSSCRRY 	C35H58N14O13S	914.4029	NA	PeJP	NA	NA
+PJ078527	ATLMMYW 	C43H62N8O10S2	914.4031	NA	PeJP	NA	NA
+PJ078528	GSDKHWW 	C43H54N12O11	914.4035	NA	PeJP	NA	NA
+PJ078529	GGGGAPQWW 	C43H54N12O11	914.4036	NA	PeJP	NA	NA
+PJ078530	CCCKFRR 	C36H62N14O8S3	914.4038	NA	PeJP	NA	NA
+PJ078531	GTTTLEMY 	C39H62N8O15S	914.4056	NA	PeJP	NA	NA
+PJ078532	VLQMMMY 	C40H66N8O10S3	914.4064	NA	PeJP	NA	NA
+PJ078533	PPNDMRW 	C40H58N12O11S	914.4069	NA	PeJP	NA	NA
+PJ078534	GSPPWWW 	C48H54N10O9	914.4076	NA	PeJP	NA	NA
+PJ078535	SSSSTQRY 	C36H58N12O16	914.4094	NA	PeJP	NA	NA
+PJ078536	SCQKMRY 	C37H62N12O11S2	914.4103	NA	PeJP	NA	NA
+PJ078537	NNNNHFR 	C37H54N16O12	914.4107	NA	PeJP	NA	NA
+PJ078538	GGNNNHFR 	C37H54N16O12	914.4108	NA	PeJP	NA	NA
+PJ078539	APPQMWW 	C45H58N10O9S	914.4109	NA	PeJP	NA	NA
+PJ078540	GSSSTKYW 	C41H58N10O14	914.4134	NA	PeJP	NA	NA
+PJ078541	GGGAAPPPEY 	C41H58N10O14	914.4135	NA	PeJP	NA	NA
+PJ078542	SNDMHRR 	C34H58N16O12S	914.4141	NA	PeJP	NA	NA
+PJ078543	GCKKMYW 	C42H62N10O9S2	914.4143	NA	PeJP	NA	NA
+MJ097616	Tanghinigenin; 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?4)-2-O-acetyl-?-L-thevetoside] 	C44H66O20	914.414744	NA	MeJP	NA	NA
+PJ078544	GSSHRWW 	C42H54N14O10	914.4148	NA	PeJP	NA	NA
+PJ078545	VMFFWW 	C50H58N8O7S	914.415	NA	PeJP	NA	NA
+PJ078546	GSSDKKMY 	C38H62N10O14S	914.4168	NA	PeJP	NA	NA
+PJ078547	SSPLYYW 	C46H58N8O12	914.4174	NA	PeJP	NA	NA
+MJ097617	Microsclerodermin H 	C46H58N8O12	914.417419	NA	MeJP	NA	NA
+PJ078548	AALEYYW 	C46H58N8O12	914.4175	NA	PeJP	NA	NA
+PJ078549	ALMMMRY 	C39H66N10O9S3	914.4177	NA	PeJP	NA	NA
+PJ078550	GTQMHRW 	C39H58N14O10S	914.4181	NA	PeJP	NA	NA
+PJ078551	GGATMHRW 	C39H58N14O10S	914.4182	NA	PeJP	NA	NA
+PJ078552	AAHHFFW 	C47H54N12O8	914.4188	NA	PeJP	NA	NA
+PJ078553	GSTTQEHR 	C35H58N14O15	914.4206	NA	PeJP	NA	NA
+PJ078554	PNDEERR 	C35H58N14O15	914.4207	NA	PeJP	NA	NA
+PJ078555	TTTLMYW 	C43H62N8O12S	914.4208	NA	PeJP	NA	NA
+PJ078556	LFFYYY 	C51H58N6O10	914.4215	NA	PeJP	NA	NA
+PJ078557	SNQHHHR 	C36H54N18O11	914.422	NA	PeJP	NA	NA
+PJ078558	APPCRWW 	C44H58N12O8S	914.4222	NA	PeJP	NA	NA
+PJ078559	STTTTLEY 	C39H62N8O17	914.4233	NA	PeJP	NA	NA
+PJ078560	TLKEMMY 	C40H66N8O12S2	914.4242	NA	PeJP	NA	NA
+PJ078561	APQEERW 	C40H58N12O13	914.4247	NA	PeJP	NA	NA
+PJ078562	PPMMHFR 	C41H62N12O8S2	914.4255	NA	PeJP	NA	NA
+PJ078563	GNKHHHW 	C41H54N16O9	914.426	NA	PeJP	NA	NA
+PJ078564	GSSSKMRY 	C37H62N12O13S	914.428	NA	PeJP	NA	NA
+PJ078565	GPPDDKMR 	C37H62N12O13S	914.4281	NA	PeJP	NA	NA
+PJ078566	GPLQEWW 	C45H58N10O11	914.4287	NA	PeJP	NA	NA
+PJ078567	CCKKMFR 	C38H66N12O8S3	914.4289	NA	PeJP	NA	NA
+PJ078568	GTCHRRW 	C38H58N16O9S	914.4294	NA	PeJP	NA	NA
+PJ078569	LHHHWW 	C46H54N14O7	914.43	NA	PeJP	NA	NA
+PJ078570	GSSSEHRR 	C34H58N16O14	914.4319	NA	PeJP	NA	NA
+PJ078571	STCKKYW 	C42H62N10O11S	914.432	NA	PeJP	NA	NA
+PJ078572	SLLEMHW 	C42H62N10O11S	914.4321	NA	PeJP	NA	NA
+PJ078573	VVYYWW 	C50H58N8O9	914.4327	NA	PeJP	NA	NA
+PJ078574	GQMMHRR 	C35H62N16O9S2	914.4328	NA	PeJP	NA	NA
+PJ078575	CKHRWW 	C43H58N14O7S	914.4334	NA	PeJP	NA	NA
+PJ078576	SSSSKKEY 	C38H62N10O16	914.4345	NA	PeJP	NA	NA
+PJ078577	SSSTDKKY 	C38H62N10O16	914.4346	NA	PeJP	NA	NA
+PJ078578	TTLMMRY 	C39H66N10O11S2	914.4354	NA	PeJP	NA	NA
+PJ078579	GGGGPPVLMM 	C39H66N10O11S2	914.4355	NA	PeJP	NA	NA
+PJ078580	GPDERRW 	C39H58N14O12	914.4359	NA	PeJP	NA	NA
+PJ078581	GVLMFYW 	C47H62N8O9S	914.4361	NA	PeJP	NA	NA
+PJ078582	PLLEEEW 	C43H62N8O14	914.4386	NA	PeJP	NA	NA
+PJ078583	GSPPDMRR 	C36H62N14O12S	914.4393	NA	PeJP	NA	NA
+PJ078584	VLQMMFF 	C44H66N8O9S2	914.4394	NA	PeJP	NA	NA
+PJ078585	PVKMMFY 	C44H66N8O9S2	914.4395	NA	PeJP	NA	NA
+PJ078586	AAPERWW 	C44H58N12O10	914.4399	NA	PeJP	NA	NA
+PJ078587	SSTTLLMY 	C40H66N8O14S	914.4419	NA	PeJP	NA	NA
+PJ078588	SPPLLEEM 	C40H66N8O14S	914.442	NA	PeJP	NA	NA
+PJ078589	VLKMMMY 	C41H70N8O9S3	914.4428	NA	PeJP	NA	NA
+PJ078590	NNNNQRR 	C33H58N18O13	914.4431	NA	PeJP	NA	NA
+PJ078591	GGGGGGGGGARR 	C33H58N18O13	914.4432	NA	PeJP	NA	NA
+PJ078592	PPTQMRW 	C41H62N12O10S	914.4433	NA	PeJP	NA	NA
+PJ078593	PLQWWW 	C49H58N10O8	914.4439	NA	PeJP	NA	NA
+PJ078594	GAPLWWW 	C49H58N10O8	914.444	NA	PeJP	NA	NA
+PJ078595	SSSSTKRY 	C37H62N12O15	914.4458	NA	PeJP	NA	NA
+PJ078596	SCKKMRY 	C38H66N12O10S2	914.4467	NA	PeJP	NA	NA
+PJ078597	SSSHRRW 	C38H58N16O11	914.4471	NA	PeJP	NA	NA
+PJ078598	GGGEHFRR 	C38H58N16O11	914.4472	NA	PeJP	NA	NA
+PJ078599	APPKMWW 	C46H62N10O8S	914.4473	NA	PeJP	NA	NA
+PJ078600	PVQKEEW 	C42H62N10O13	914.4498	NA	PeJP	NA	NA
+PJ078601	STQMHRR 	C35H62N16O11S	914.4505	NA	PeJP	NA	NA
+PJ078602	VVLMMHW 	C43H66N10O8S2	914.4507	NA	PeJP	NA	NA
+MJ097618	3,15,23-Trihydroxyspirost-5-en-26-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C45H70O19	914.45113	NA	MeJP	NA	NA
+MJ097619	Spirosta-5,25(27)-diene-1,2,3-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] 	C45H70O19	914.45113	NA	MeJP	NA	NA
+MJ097620	Spirosta-7,9(11)-diene-2,3,5-triol, 3-O-[L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H70O19	914.45113	NA	MeJP	NA	NA
+PJ078603	PDRRWW 	C43H58N14O9	914.4512	NA	PeJP	NA	NA
+PJ078604	GSTTKKMY 	C39H66N10O13S	914.4532	NA	PeJP	NA	NA
+PJ078605	GTLLYYW 	C47H62N8O11	914.4538	NA	PeJP	NA	NA
+PJ078606	GGVLEFFF 	C47H62N8O11	914.4539	NA	PeJP	NA	NA
+PJ078607	CKKKMMF 	C40H70N10O8S3	914.4541	NA	PeJP	NA	NA
+PJ078608	PPTCRRW 	C40H62N14O9S	914.4545	NA	PeJP	NA	NA
+PJ078609	PTQEERR 	C36H62N14O14	914.457	NA	PeJP	NA	NA
+PJ078610	GGGGAALQER 	C36H62N14O14	914.4571	NA	PeJP	NA	NA
+PJ078611	PTLKMYY 	C44H66N8O11S	914.4572	NA	PeJP	NA	NA
+PJ078612	PPQMMRR 	C37H66N14O9S2	914.4579	NA	PeJP	NA	NA
+PJ078613	SNKHHHR 	C37H58N18O10	914.4584	NA	PeJP	NA	NA
+PJ078614	KKMHWW 	C45H62N12O7S	914.4586	NA	PeJP	NA	NA
+PJ078615	SPVLLEEE 	C40H66N8O16	914.4597	NA	PeJP	NA	NA
+PJ078616	PPVVLEMM 	C41H70N8O11S2	914.4606	NA	PeJP	NA	NA
+PJ078617	SPLQERW 	C41H62N12O12	914.461	NA	PeJP	NA	NA
+PJ078618	APKEERW 	C41H62N12O12	914.4611	NA	PeJP	NA	NA
+PJ078619	STCHRRR 	C34H62N18O10S	914.4617	NA	PeJP	NA	NA
+PJ078620	GGPCNRRR 	C34H62N18O10S	914.4618	NA	PeJP	NA	NA
+PJ078621	NHFRRW 	C42H58N16O8	914.4624	NA	PeJP	NA	NA
+PJ078622	GPPTKEMR 	C38H66N12O12S	914.4644	NA	PeJP	NA	NA
+PJ078623	GGGGGAAPLKM 	C38H66N12O12S	914.4645	NA	PeJP	NA	NA
+PJ078624	GPLKEWW 	C46H62N10O10	914.4651	NA	PeJP	NA	NA
+PJ078625	VVMHHHR 	C39H62N16O8S	914.4658	NA	PeJP	NA	NA
+3288	NA	LGGAKQAGDV	914.4679	celiac toxic	Inhouse_peptide	NA	peptide
+PJ078626	NNQQQKR 	C35H62N16O13	914.4682	NA	PeJP	NA	NA
+PJ078627	SPDERRR 	C35H62N16O13	914.4683	NA	PeJP	NA	NA
+PJ078628	PLLQQMW 	C43H66N10O10S	914.4684	NA	PeJP	NA	NA
+PJ078629	PPKKEMW 	C43H66N10O10S	914.4685	NA	PeJP	NA	NA
+PJ078630	GVLFFFW 	C51H62N8O8	914.4691	NA	PeJP	NA	NA
+PJ078631	SSTTTKKY 	C39H66N10O15	914.4709	NA	PeJP	NA	NA
+PJ078632	GPVKKEEE 	C39H66N10O15	914.471	NA	PeJP	NA	NA
+PJ078633	SKKKMMY 	C40H70N10O10S2	914.4718	NA	PeJP	NA	NA
+PJ078634	APTERRW 	C40H62N14O11	914.4723	NA	PeJP	NA	NA
+PJ078635	PVKMFFF 	C48H66N8O8S	914.4725	NA	PeJP	NA	NA
+PJ078636	SLLKEYY 	C44H66N8O13	914.475	NA	PeJP	NA	NA
+PJ078637	PVQEMRR 	C37H66N14O11S	914.4757	NA	PeJP	NA	NA
+PJ078638	VLKMMFF 	C45H70N8O8S2	914.4758	NA	PeJP	NA	NA
+PJ078639	GPTLRWW 	C45H62N12O9	914.4763	NA	PeJP	NA	NA
+PJ078640	APLLLEEM 	C41H70N8O13S	914.4784	NA	PeJP	NA	NA
+PJ078641	GNQERRR 	C34H62N18O12	914.4795	NA	PeJP	NA	NA
+PJ078642	PPTKMRW 	C42H66N12O9S	914.4797	NA	PeJP	NA	NA
+PJ078643	PLKWWW 	C50H62N10O7	914.4803	NA	PeJP	NA	NA
+PJ078644	PKKEEER 	C38H66N12O14	914.4822	NA	PeJP	NA	NA
+PJ078645	GPPVKMMR 	C39H70N12O9S2	914.4831	NA	PeJP	NA	NA
+PJ078646	AAQQRRW 	C39H62N16O10	914.4835	NA	PeJP	NA	NA
+PJ078647	PVKKEEW 	C43H66N10O12	914.4862	NA	PeJP	NA	NA
+PJ078648	APEMRRR 	C36H66N16O10S	914.4869	NA	PeJP	NA	NA
+MJ097621	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-L-arabinopyranosyl ester 	C46H74O18	914.487515	NA	MeJP	NA	NA
+MJ097622	3,15,16-Trihydroxy-12-oleanen-28-oic acid, 3-O-[L-Arabinofuranosyl-D-xylopyranosyl-?-D-glucopyranoside] 	C46H74O18	914.487515	NA	MeJP	NA	NA
+MJ097623	3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C46H74O18	914.487515	NA	MeJP	NA	NA
+MJ097624	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C46H74O18	914.487515	NA	MeJP	NA	NA
+MJ097625	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Di-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C46H74O18	914.487515	NA	MeJP	NA	NA
+MJ097626	Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C46H74O18	914.487515	NA	MeJP	NA	NA
+MJ097627	Spirost-5-ene-3,27-diol 	C46H74O18	914.487515	NA	MeJP	NA	NA
+PJ078649	GPPFRRW 	C44H62N14O8	914.4876	NA	PeJP	NA	NA
+PJ078650	STTLLLMH 	C40H70N10O12S	914.4896	NA	PeJP	NA	NA
+PJ078651	PVVKFYY 	C48H66N8O10	914.4902	NA	PeJP	NA	NA
+PJ078652	GPLMRRW 	C41H66N14O8S	914.4909	NA	PeJP	NA	NA
+HMDB09926	PIP(16:0/18:2(9Z,12Z))	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09941	PIP(16:1(9Z)/18:1(11Z))	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09942	PIP(16:1(9Z)/18:1(9Z))	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09944	PIP(16:2(9Z,12Z)/18:0)	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09948	PIP(18:0/16:2(9Z,12Z))	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09959	PIP(18:1(11Z)/16:1(9Z))	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09971	PIP(18:1(9Z)/16:1(9Z))	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+HMDB09983	PIP(18:2(9Z,12Z)/16:0)	C43H80O16P2	914.492188	NA	HMDB2010	NA	NA
+MJ097628	Spirodihydrobenzofuranlactam VI; 2,2'-Dihydroxy 	C52H70N2O12	914.492875	NA	MeJP	NA	NA
+PJ078653	PTKEERR 	C37H66N14O13	914.4934	NA	PeJP	NA	NA
+PJ078654	GGGGGGGGALKK 	C37H66N14O13	914.4935	NA	PeJP	NA	NA
+PJ078655	VVLKMYY 	C45H70N8O10S	914.4936	NA	PeJP	NA	NA
+PJ078656	PPKMMRR 	C38H70N14O8S2	914.4943	NA	PeJP	NA	NA
+PJ078657	NQRRRW 	C38H62N18O9	914.4948	NA	PeJP	NA	NA
+PJ078658	GLLLLEEE 	C41H70N8O15	914.4961	NA	PeJP	NA	NA
+PJ078659	PPTLLLMM 	C42H74N8O10S2	914.497	NA	PeJP	NA	NA
+PJ078660	SPLKERW 	C42H66N12O11	914.4974	NA	PeJP	NA	NA
+PJ078661	GAALLERW 	C42H66N12O11	914.4975	NA	PeJP	NA	NA
+PJ078662	AAPLKEMR 	C39H70N12O11S	914.5008	NA	PeJP	NA	NA
+PJ078663	SPVLKWW 	C47H66N10O9	914.5015	NA	PeJP	NA	NA
+PJ078664	VNNKERR 	C36H66N16O12	914.5046	NA	PeJP	NA	NA
+PJ078665	GLEERRR 	C36H66N16O12	914.5047	NA	PeJP	NA	NA
+PJ078666	PLLQKMW 	C44H70N10O9S	914.5048	NA	PeJP	NA	NA
+PJ078667	GPHHRRR 	C37H62N20O8	914.506	NA	PeJP	NA	NA
+PJ078668	APTLKKEE 	C40H70N10O14	914.5073	NA	PeJP	NA	NA
+PJ078669	AAAALLKEE 	C40H70N10O14	914.5074	NA	PeJP	NA	NA
+PJ078670	APPLKKMM 	C41H74N10O9S2	914.5082	NA	PeJP	NA	NA
+PJ078671	GVLERRW 	C41H66N14O10	914.5087	NA	PeJP	NA	NA
+PJ078672	LLLLEEW 	C45H70N8O12	914.5114	NA	PeJP	NA	NA
+PJ078673	PQQKKMR 	C38H70N14O10S	914.512	NA	PeJP	NA	NA
+PJ078674	PVKEMRR 	C38H70N14O10S	914.5121	NA	PeJP	NA	NA
+PJ078675	AALLRWW 	C46H66N12O8	914.5127	NA	PeJP	NA	NA
+PJ078676	SPLLLLEM 	C42H74N8O12S	914.5147	NA	PeJP	NA	NA
+PJ078677	GNKERRR 	C35H66N18O11	914.5159	NA	PeJP	NA	NA
+PJ078678	PVVKMRW 	C43H70N12O8S	914.5161	NA	PeJP	NA	NA
+PJ078679	LLQKEER 	C39H70N12O13	914.5186	NA	PeJP	NA	NA
+PJ078680	LKKKMMH 	C40H74N12O8S2	914.5194	NA	PeJP	NA	NA
+PJ078681	LERRRW 	C40H66N16O9	914.5199	NA	PeJP	NA	NA
+PJ078682	VLLQKEW 	C44H70N10O11	914.5226	NA	PeJP	NA	NA
+PJ078683	SPLMRRR 	C37H70N16O9S	914.5233	NA	PeJP	NA	NA
+PJ078684	VLRRWW 	C45H66N14O7	914.5239	NA	PeJP	NA	NA
+MJ097629	12-Oleanene-3,16,28-triol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H78O17	914.523901	NA	MeJP	NA	NA
+MJ097630	12-Oleanene-3,22,24,30-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C47H78O17	914.523901	NA	MeJP	NA	NA
+MJ097631	3,15,22-Trihydroxy-6-hopanone, 3-O-?-L-Arabinopyranoside, 22-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside] 	C47H78O17	914.523901	NA	MeJP	NA	NA
+MJ097632	Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3-O-?-D-glucopyranoside, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H78O17	914.523901	NA	MeJP	NA	NA
+MJ097633	Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C47H78O17	914.523901	NA	MeJP	NA	NA
+MJ097634	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-(3-Methylbutanoyl), 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H78O17	914.523901	NA	MeJP	NA	NA
+PJ078685	GPLLKKEM 	C41H74N10O11S	914.526	NA	PeJP	NA	NA
+PJ078686	VVLKFFY 	C49H70N8O9	914.5266	NA	PeJP	NA	NA
+PJ078687	GSQRRRR 	C34H66N20O10	914.5271	NA	PeJP	NA	NA
+PJ078688	VVKEERR 	C38H70N14O12	914.5298	NA	PeJP	NA	NA
+PJ078689	PPVVLLMF 	C46H74N8O9S	914.53	NA	PeJP	NA	NA
+PJ078690	NKRRRW 	C39H66N18O8	914.5311	NA	PeJP	NA	NA
+PJ078691	GGKRRRW 	C39H66N18O8	914.5312	NA	PeJP	NA	NA
+PJ078692	SVLLLLEE 	C42H74N8O14	914.5325	NA	PeJP	NA	NA
+PJ078693	PVVLLLMM 	C43H78N8O9S2	914.5334	NA	PeJP	NA	NA
+PJ078694	ALLKERW 	C43H70N12O10	914.5338	NA	PeJP	NA	NA
+PJ078695	GPTLLKMR 	C40H74N12O10S	914.5372	NA	PeJP	NA	NA
+PJ078696	AVLLKWW 	C48H70N10O8	914.5378	NA	PeJP	NA	NA
+PJ078697	GLLLKWW 	C48H70N10O8	914.5379	NA	PeJP	NA	NA
+MJ097635	Avermectin B1d; O5-Me 	C51H78O14	914.539157	NA	MeJP	NA	NA
+MJ097636	Okadaic acid; 6-Hydroxy-2-methyl-2E,4E-hexadienoyl ester 	C51H78O14	914.539157	NA	MeJP	NA	NA
+PJ078698	SVLERRR 	C37H70N16O11	914.541	NA	PeJP	NA	NA
+PJ078699	GAAKKERR 	C37H70N16O11	914.5411	NA	PeJP	NA	NA
+PJ078700	PLLKKMW 	C45H74N10O8S	914.5412	NA	PeJP	NA	NA
+PJ078701	GVLLKKEE 	C41H74N10O13	914.5437	NA	PeJP	NA	NA
+PJ078702	ATLLRRW 	C42H70N14O9	914.5451	NA	PeJP	NA	NA
+PJ078703	SPPLLLLY 	C46H74N8O11	914.5477	NA	PeJP	NA	NA
+PJ078704	PVVVLLEF 	C46H74N8O11	914.5478	NA	PeJP	NA	NA
+PJ078705	VLLQMRR 	C39H74N14O9S	914.5484	NA	PeJP	NA	NA
+PJ078706	ALLLLLEM 	C43H78N8O11S	914.5511	NA	PeJP	NA	NA
+PJ078707	GDKKRRR 	C36H70N18O10	914.5523	NA	PeJP	NA	NA
+PJ078708	ATTLLLQR 	C40H74N12O12	914.5549	NA	PeJP	NA	NA
+PJ078709	LLKKEER 	C40H74N12O12	914.555	NA	PeJP	NA	NA
+PJ078710	AAKKRRW 	C41H70N16O8	914.5563	NA	PeJP	NA	NA
+PJ078711	VLLKKEW 	C45H74N10O10	914.559	NA	PeJP	NA	NA
+PJ078712	ALLMRRR 	C38H74N16O8S	914.5597	NA	PeJP	NA	NA
+MJ097637	20,24-Epoxydammarane-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O16	914.560286	NA	MeJP	NA	NA
+MJ097638	Antibiotic SF 2361 	C48H82O16	914.560286	NA	MeJP	NA	NA
+MJ097639	Cytovaricin; 26a-Me ether 	C48H82O16	914.560286	NA	MeJP	NA	NA
+MJ097640	Etheromycin 	C48H82O16	914.560286	NA	MeJP	NA	NA
+MJ097641	Septamycin 	C48H82O16	914.560286	NA	MeJP	NA	NA
+PJ078713	SPVLLKKM 	C42H78N10O10S	914.5624	NA	PeJP	NA	NA
+PJ078714	GSKRRRR 	C35H70N20O9	914.5635	NA	PeJP	NA	NA
+PJ078715	TLLKERR 	C39H74N14O11	914.5662	NA	PeJP	NA	NA
+PJ078716	TTLLLLLE 	C43H78N8O13	914.5689	NA	PeJP	NA	NA
+PJ078717	SLLLKRW 	C44H74N12O9	914.5702	NA	PeJP	NA	NA
+PJ078718	AALLLKMR 	C41H78N12O9S	914.5736	NA	PeJP	NA	NA
+PJ078719	TTLLRRR 	C38H74N16O10	914.5774	NA	PeJP	NA	NA
+PJ078720	ATLLLKKE 	C42H78N10O12	914.5801	NA	PeJP	NA	NA
+PJ078721	GLKKKRW 	C43H74N14O8	914.5814	NA	PeJP	NA	NA
+PJ078722	PVLKFRR 	C43H74N14O8	914.5815	NA	PeJP	NA	NA
+PJ078723	APLLLLLY 	C47H78N8O10	914.5841	NA	PeJP	NA	NA
+PJ078724	VLLKMRR 	C40H78N14O8S	914.5848	NA	PeJP	NA	NA
+PJ078725	SLLLLLLM 	C44H82N8O10S	914.5875	NA	PeJP	NA	NA
+HMDB09817	PI(18:0/22:4(10Z,13Z,16Z,19Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09818	PI(18:0/22:4(7Z,10Z,13Z,16Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09856	PI(18:2(9Z,12Z)/22:2(13Z,16Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09868	PI(20:0/20:3(8Z,11Z,14Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09869	PI(20:0/20:4(5Z,8Z,11Z,14Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09878	PI(20:2(11Z,14Z)/20:2(11Z,14Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09897	PI(20:4(5Z,8Z,11Z,14Z)/20:0)	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09903	PI(20:4(8Z,11Z,14Z,17Z)/20:0)	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09906	PI(22:2(13Z,16Z)/18:2(9Z,12Z))	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09913	PI(22:4(10Z,13Z,16Z,19Z)/18:0)	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+HMDB09915	PI(22:4(7Z,10Z,13Z,16Z)/18:0)	C49H87O13P	914.58844	NA	HMDB2010	NA	NA
+PJ078726	ATKKRRR 	C37H74N18O9	914.5887	NA	PeJP	NA	NA
+PJ078727	ATTLLLKR 	C41H78N12O11	914.5913	NA	PeJP	NA	NA
+PJ078728	GVVKKKKE 	C41H78N12O11	914.5914	NA	PeJP	NA	NA
+PJ078729	GPLLLKKF 	C46H78N10O9	914.5954	NA	PeJP	NA	NA
+MJ097642	1,2-Di-O-acylglycerols; Glycerol 2-(9,12,15-octadecatrienoate) 1-hexadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C49H86O15	914.596672	NA	MeJP	NA	NA
+PJ078730	GLLLLKKM 	C43H82N10O9S	914.5987	NA	PeJP	NA	NA
+PJ078731	VKKKKER 	C40H78N14O10	914.6026	NA	PeJP	NA	NA
+PJ078732	VVKKKKW 	C45H78N12O8	914.6066	NA	PeJP	NA	NA
+PJ078733	SLKKKRR 	C39H78N16O9	914.6138	NA	PeJP	NA	NA
+PJ078734	STLLLLKK 	C43H82N10O11	914.6165	NA	PeJP	NA	NA
+PJ078735	ALLLLLLF 	C48H82N8O9	914.6205	NA	PeJP	NA	NA
+PJ078736	GTLLKKKK 	C42H82N12O10	914.6277	NA	PeJP	NA	NA
+PJ078737	QKKKKKK 	C41H82N14O9	914.639	NA	PeJP	NA	NA
+PJ078738	KKKKKKK 	C42H86N14O8	914.6753	NA	PeJP	NA	NA
+HMDB05386	TG(16:0/20:1(11Z)/20:1(11Z))[iso3]	C59H110O6	914.83026	http://www.hmdb.ca/metabolites/HMDB05386	HMDB	NA	NA
+HMDB05404	TG(18:0/18:1(9Z)/20:1(11Z))[iso6]	C59H110O6	914.83026	http://www.hmdb.ca/metabolites/HMDB05404	HMDB	NA	NA
+HMDB05409	TG(18:0/18:2(9Z,12Z)/20:0)[iso6]	C59H110O6	914.83026	http://www.hmdb.ca/metabolites/HMDB05409	HMDB	NA	NA
+HMDB05428	TG(16:1(9Z)/20:0/20:1(11Z))[iso6]	C59H110O6	914.83026	http://www.hmdb.ca/metabolites/HMDB05428	HMDB	NA	NA
+HMDB05452	TG(18:1(9Z)/18:1(9Z)/20:0)[iso3]	C59H110O6	914.83026	http://www.hmdb.ca/metabolites/HMDB05452	HMDB	NA	NA
+HMDB05386	TG(16:0/20:1(11Z)/20:1(11Z))[iso3]	C59H110O6	914.83026	HMDB05386	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05404	TG(18:0/18:1(9Z)/20:1(11Z))[iso6]	C59H110O6	914.83026	HMDB05404	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05409	TG(18:0/18:2(9Z,12Z)/20:0)[iso6]	C59H110O6	914.83026	HMDB05409	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05428	TG(16:1(9Z)/20:0/20:1(11Z))[iso6]	C59H110O6	914.83026	HMDB05428	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05452	TG(18:1(9Z)/18:1(9Z)/20:0)[iso3]	C59H110O6	914.83026	HMDB05452	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05386	TG(16:0/20:1(11Z)/20:1(11Z))[iso3]	C59H110O6	914.830261	NA	HMDB2010	NA	NA
+HMDB05404	TG(18:0/18:1(9Z)/20:1(11Z))[iso6]	C59H110O6	914.830261	NA	HMDB2010	NA	NA
+HMDB05409	TG(18:0/18:2(9Z,12Z)/20:0)[iso6]	C59H110O6	914.830261	NA	HMDB2010	NA	NA
+HMDB05428	TG(16:1(9Z)/20:0/20:1(11Z))[iso6]	C59H110O6	914.830261	NA	HMDB2010	NA	NA
+HMDB05452	TG(18:1(9Z)/18:1(9Z)/20:0)[iso3]	C59H110O6	914.830261	NA	HMDB2010	NA	NA
+MJ097643	2-Docosyl-3-hydroxy-21-tetracontenoic acid 	C62H122O3	914.939397	NA	MeJP	NA	NA
+C16257	(R)-Phenyllactyl-CoA	C30H44N7O18P3S	915.1676	NA	KEGG	NA	NA
+MetaCyc04304	hydroxycinnamoyl-CoA []	C30H44N7O18P3S1	915.167638	NA	metacyc	NA	NA
+MetaCyc04305	(R)-phenyllactyl-CoA []	C30H44N7O18P3S1	915.167638	NA	metacyc	NA	NA
+MetaCyc04306	3-hydroxy-3-phenylpropionyl-CoA []	C30H44N7O18P3S1	915.167638	NA	metacyc	NA	NA
+PJ078739	CCCCCNMH 	C30H49N11O10S6	915.1989	NA	PeJP	NA	NA
+C11929	Perillyl-CoA	C31H48N7O17P3S	915.204	NA	KEGG	NA	NA
+PJ078740	CCCNDDDE 	C30H45N9O18S3	915.2045	NA	PeJP	NA	NA
+PJ078741	GSTCCCCCH 	C30H49N11O12S5	915.2166	NA	PeJP	NA	NA
+PJ078742	GCCCDDDW 	C34H45N9O15S3	915.2198	NA	PeJP	NA	NA
+PJ078743	GSSCCDDDD 	C30H45N9O20S2	915.2223	NA	PeJP	NA	NA
+PJ078744	GSPCCCCDE 	C31H49N9O15S4	915.2231	NA	PeJP	NA	NA
+PJ078745	GPPCCCCCM 	C32H53N9O10S6	915.224	NA	PeJP	NA	NA
+PJ078746	SSSSCCCCH 	C30H49N11O14S4	915.2344	NA	PeJP	NA	NA
+PJ078747	SPCCCCDW 	C35H49N9O12S4	915.2384	NA	PeJP	NA	NA
+PJ078748	SCCNDDEM 	C31H49N9O17S3	915.2409	NA	PeJP	NA	NA
+PJ078749	PCCCNDMM 	C32H53N9O12S5	915.2418	NA	PeJP	NA	NA
+PJ078750	CCCMMYY 	C37H53N7O10S5	915.2458	NA	PeJP	NA	NA
+PJ078751	GCCCCNQW 	C34H49N11O11S4	915.2496	NA	PeJP	NA	NA
+PJ078752	SCCCDDDR 	C30H49N11O16S3	915.2521	NA	PeJP	NA	NA
+PJ078753	PCCCCCER 	C31H53N11O11S5	915.253	NA	PeJP	NA	NA
+PJ078754	GCNDDDDY 	C34H45N9O19S	915.2553	NA	PeJP	NA	NA
+PJ078755	GSCCDDMW 	C35H49N9O14S3	915.2562	NA	PeJP	NA	NA
+PJ078756	APCCCCMW 	C36H53N9O9S5	915.257	NA	PeJP	NA	NA
+PJ078757	GSSTCCDDE 	C31H49N9O19S2	915.2586	NA	PeJP	NA	NA
+PJ078758	GSSSCDDDM 	C31H49N9O19S2	915.2587	NA	PeJP	NA	NA
+PJ078759	GCNDDMMM 	C32H53N9O14S4	915.2595	NA	PeJP	NA	NA
+PJ078760	CCCDFYY 	C40H49N7O12S3	915.2602	NA	PeJP	NA	NA
+PJ078761	PCCCCNHH 	C33H49N13O10S4	915.2609	NA	PeJP	NA	NA
+PJ078762	SSCCCNNW 	C34H49N11O13S3	915.2674	NA	PeJP	NA	NA
+PJ078763	SSSSCCNND 	C30H49N11O18S2	915.2699	NA	PeJP	NA	NA
+PJ078764	SCCNNNMM 	C31H53N11O13S4	915.2707	NA	PeJP	NA	NA
+PJ078765	GCCCDEMR 	C31H53N11O13S4	915.2708	NA	PeJP	NA	NA
+PJ078766	SCCCEWW 	C39H49N9O11S3	915.2714	NA	PeJP	NA	NA
+PJ078767	SSSCCDEW 	C35H49N9O16S2	915.2739	NA	PeJP	NA	NA
+PJ078768	CCNEMMW 	C36H53N9O11S4	915.2748	NA	PeJP	NA	NA
+PJ078769	SSSSSCDDE 	C31H49N9O21S	915.2764	NA	PeJP	NA	NA
+PJ078770	SSCNDEMM 	C32H53N9O16S3	915.2773	NA	PeJP	NA	NA
+PJ078771	SCCDYYY 	C40H49N7O14S2	915.2779	NA	PeJP	NA	NA
+PJ078772	SPCCNMMM 	C33H57N9O11S5	915.2781	NA	PeJP	NA	NA
+PJ078773	GGSPCCMMM 	C33H57N9O11S5	915.2782	NA	PeJP	NA	NA
+PJ078774	GCCNDMHH 	C33H49N13O12S3	915.2786	NA	PeJP	NA	NA
+PJ078775	CCCMFFY 	C41H53N7O9S4	915.2788	NA	PeJP	NA	NA
+MJ097644	Perdeacylwilfortrine; 26-(3-Furancarbonyl), 1,2,6,8,9,14-hexa-Ac 	C43H49NO21	915.279707	NA	MeJP	NA	NA
+PJ078776	DDDEEMY 	C36H49N7O19S	915.2804	NA	PeJP	NA	NA
+PJ078777	SCCCCNQR 	C30H53N13O12S4	915.282	NA	PeJP	NA	NA
+PJ078778	GNDDDDEH 	C33H45N11O20	915.2843	NA	PeJP	NA	NA
+PJ078779	DEEMMMM 	C34H57N7O14S4	915.2847	NA	PeJP	NA	NA
+PJ078780	GCCNNNEY 	C34H49N11O15S2	915.2851	NA	PeJP	NA	NA
+PJ078781	GGGGGCCNEY 	C34H49N11O15S2	915.2852	NA	PeJP	NA	NA
+PJ078782	CCCDMRW 	C35H53N11O10S4	915.286	NA	PeJP	NA	NA
+PJ078783	SSCCDDMR 	C31H53N11O15S3	915.2885	NA	PeJP	NA	NA
+PJ078784	CCNDEFW 	C39H49N9O13S2	915.2892	NA	PeJP	NA	NA
+PJ078785	PTCCCCMR 	C32H57N11O10S5	915.2894	NA	PeJP	NA	NA
+MetaCyc04307	5-methyl-tetrahydrosarcinapterin [5-methyl-H4SPT;]	C36H50N7O19P1	915.289909	NA	metacyc	NA	NA
+PJ078786	GCCMMWW 	C40H53N9O8S4	915.29	NA	PeJP	NA	NA
+PJ078787	GSNDDDMY 	C35H49N9O18S	915.2917	NA	PeJP	NA	NA
+PJ078788	GSSCDMMW 	C36H53N9O13S3	915.2925	NA	PeJP	NA	NA
+PJ078789	CCCQHHW 	C37H49N13O9S3	915.2939	NA	PeJP	NA	NA
+PJ078790	GSSSSDDMM 	C32H53N9O18S2	915.295	NA	PeJP	NA	NA
+PJ078791	GSNDMMMM 	C33H57N9O13S4	915.2959	NA	PeJP	NA	NA
+PJ078792	SSCCNEHH 	C33H49N13O14S2	915.2964	NA	PeJP	NA	NA
+PJ078793	ACCMYYY 	C41H53N7O11S3	915.2965	NA	PeJP	NA	NA
+PJ078794	DDEEMMF 	C37H53N7O16S2	915.2991	NA	PeJP	NA	NA
+PJ078795	NDDDDHW 	C37H45N11O17	915.2995	NA	PeJP	NA	NA
+PJ078796	GSSSCCCNR 	C30H53N13O14S3	915.2997	NA	PeJP	NA	NA
+PJ078797	GGGSSSCCCR 	C30H53N13O14S3	915.2998	NA	PeJP	NA	NA
+PJ078798	CCNNNYW 	C38H49N11O12S2	915.3004	NA	PeJP	NA	NA
+PJ078799	SSCNNNDY 	C34H49N11O17S	915.3029	NA	PeJP	NA	NA
+PJ078800	GPCCCDRY 	C35H53N11O12S3	915.3038	NA	PeJP	NA	NA
+PJ078801	GCCDFWW 	C43H49N9O10S2	915.3044	NA	PeJP	NA	NA
+PJ078802	SSSSSCNNM 	C31H53N11O17S2	915.3063	NA	PeJP	NA	NA
+PJ078803	SCNDEYW 	C39H49N9O15S	915.3069	NA	PeJP	NA	NA
+PJ078804	GSCCEMMR 	C32H57N11O12S4	915.3071	NA	PeJP	NA	NA
+PJ078805	GGGGTCCCKM 	C32H57N11O12S4	915.3072	NA	PeJP	NA	NA
+PJ078806	STCCMWW 	C40H53N9O10S3	915.3078	NA	PeJP	NA	NA
+PJ078807	SSSNDDEY 	C35H49N9O20	915.3094	NA	PeJP	NA	NA
+PJ078808	SSSSCEMW 	C36H53N9O15S2	915.3103	NA	PeJP	NA	NA
+PJ078809	SCQMMMW 	C37H57N9O10S4	915.3111	NA	PeJP	NA	NA
+PJ078810	TCNMMMW 	C37H57N9O10S4	915.3112	NA	PeJP	NA	NA
+PJ078811	GSSCCHHW 	C37H49N13O11S2	915.3116	NA	PeJP	NA	NA
+PJ078812	CCCFFFF 	C45H53N7O8S3	915.3118	NA	PeJP	NA	NA
+PJ078813	SSSSSSDEM 	C32H53N9O20S	915.3128	NA	PeJP	NA	NA
+PJ078814	PDDDEYY 	C40H49N7O18	915.3134	NA	PeJP	NA	NA
+PJ078815	SSSNEMMM 	C33H57N9O15S3	915.3137	NA	PeJP	NA	NA
+PJ078816	GSSSSCDHH 	C33H49N13O16S	915.3141	NA	PeJP	NA	NA
+PJ078817	GGGGGNDDMH 	C33H49N13O16S	915.3142	NA	PeJP	NA	NA
+PJ078818	SSCMYYY 	C41H53N7O13S2	915.3143	NA	PeJP	NA	NA
+PJ078819	NQMMMMM 	C34H61N9O10S5	915.3145	NA	PeJP	NA	NA
+PJ078820	GCCCNNFR 	C34H53N13O11S3	915.315	NA	PeJP	NA	NA
+PJ078821	SEEEEMY 	C37H53N7O18S	915.3168	NA	PeJP	NA	NA
+PJ078822	PDEMMMY 	C38H57N7O13S3	915.3177	NA	PeJP	NA	NA
+PJ078823	GSPCDDHW 	C38H49N11O14S	915.3182	NA	PeJP	NA	NA
+PJ078824	SCCCCNKR 	C31H57N13O11S4	915.3184	NA	PeJP	NA	NA
+PJ078825	APPCCCHW 	C39H53N11O9S3	915.319	NA	PeJP	NA	NA
+PJ078826	GSNDEEEH 	C34H49N11O19	915.3207	NA	PeJP	NA	NA
+PJ078827	CNDDMRY 	C35H53N11O14S2	915.3215	NA	PeJP	NA	NA
+PJ078828	GSCDYWW 	C43H49N9O12S	915.3222	NA	PeJP	NA	NA
+PJ078829	SCCMMRW 	C36H57N11O9S4	915.3224	NA	PeJP	NA	NA
+PJ078830	CDMHHHH 	C36H49N15O10S2	915.3229	NA	PeJP	NA	NA
+PJ078831	GSSSSSSSCQ 	C31H53N11O19S	915.324	NA	PeJP	NA	NA
+PJ078832	GSSSDDYW 	C39H49N9O17	915.3247	NA	PeJP	NA	NA
+PJ078833	SSSCDMMR 	C32H57N11O14S3	915.3249	NA	PeJP	NA	NA
+PJ078834	SCNNNNNH 	C32H49N15O15S	915.3254	NA	PeJP	NA	NA
+PJ078835	GNDMMYW 	C40H53N9O12S2	915.3255	NA	PeJP	NA	NA
+PJ078836	GGGDMMYW 	C40H53N9O12S2	915.3256	NA	PeJP	NA	NA
+PJ078837	CNMMMMR 	C33H61N11O9S5	915.3258	NA	PeJP	NA	NA
+PJ078838	GTCCCHHR 	C33H53N15O10S3	915.3262	NA	PeJP	NA	NA
+PJ078839	GSSNEEMY 	C36H53N9O17S	915.328	NA	PeJP	NA	NA
+PJ078840	GGGSSEEMY 	C36H53N9O17S	915.3281	NA	PeJP	NA	NA
+PJ078841	GSSSMMMW 	C37H57N9O12S3	915.3289	NA	PeJP	NA	NA
+PJ078842	CNNNEHW 	C37H49N13O13S	915.3294	NA	PeJP	NA	NA
+PJ078843	ACCFFYY 	C45H53N7O10S2	915.3296	NA	PeJP	NA	NA
+PJ078844	CCCKHHW 	C38H53N13O8S3	915.3303	NA	PeJP	NA	NA
+PJ078845	GSSSSTEMM 	C33H57N9O17S2	915.3314	NA	PeJP	NA	NA
+PJ078846	GSDDDDHR 	C33H49N13O18	915.3319	NA	PeJP	NA	NA
+PJ078847	PDDEMFY 	C41H53N7O15S	915.3321	NA	PeJP	NA	NA
+PJ078848	GSTQMMMM 	C34H61N9O12S4	915.3323	NA	PeJP	NA	NA
+PJ078849	GSCCNNRY 	C34H53N13O13S2	915.3328	NA	PeJP	NA	NA
+PJ078850	VDEEMMY 	C38H57N7O15S2	915.3354	NA	PeJP	NA	NA
+PJ078851	SNDEEHW 	C38H49N11O16	915.3359	NA	PeJP	NA	NA
+PJ078852	PEMMMMF 	C39H61N7O10S4	915.3363	NA	PeJP	NA	NA
+PJ078853	GCCERYW 	C39H53N11O11S2	915.3368	NA	PeJP	NA	NA
+PJ078854	GSSCDERY 	C35H53N11O16S	915.3393	NA	PeJP	NA	NA
+PJ078855	LEMMMMM 	C36H65N7O10S5	915.3397	NA	PeJP	NA	NA
+PJ078856	GNDDFYW 	C43H49N9O14	915.3399	NA	PeJP	NA	NA
+PJ078857	CNDMMFR 	C36H57N11O11S3	915.3401	NA	PeJP	NA	NA
+PJ078858	GSPCCMRY 	C36H57N11O11S3	915.3402	NA	PeJP	NA	NA
+PJ078859	GPCNDHHH 	C36H49N15O12S	915.3406	NA	PeJP	NA	NA
+PJ078860	CQMYWW 	C44H53N9O9S2	915.3408	NA	PeJP	NA	NA
+PJ078861	SSSSSSSSSN 	C31H53N11O21	915.3418	NA	PeJP	NA	NA
+PJ078862	SSSSSCCQK 	C32H57N11O16S2	915.3426	NA	PeJP	NA	NA
+PJ078863	GGSSSSTCCK 	C32H57N11O16S2	915.3427	NA	PeJP	NA	NA
+PJ078864	SSNEMYW 	C40H53N9O14S	915.3433	NA	PeJP	NA	NA
+PJ078865	GSTCMMMR 	C33H61N11O11S4	915.3435	NA	PeJP	NA	NA
+PJ078866	SSSCCHHR 	C33H53N15O12S2	915.344	NA	PeJP	NA	NA
+PJ078867	GNMMMFW 	C41H57N9O9S3	915.3442	NA	PeJP	NA	NA
+PJ078868	GCNNHWW 	C41H49N13O10S	915.3446	NA	PeJP	NA	NA
+PJ078869	GGGCNHWW 	C41H49N13O10S	915.3447	NA	PeJP	NA	NA
+PJ078870	SSSSQEEY 	C36H53N9O19	915.3458	NA	PeJP	NA	NA
+PJ078871	SSSSTMMW 	C37H57N9O14S2	915.3467	NA	PeJP	NA	NA
+PJ078872	GSSNNDHW 	C37H49N13O15	915.3471	NA	PeJP	NA	NA
+PJ078873	GGGSSNDHW 	C37H49N13O15	915.3472	NA	PeJP	NA	NA
+PJ078874	NMYYYY 	C45H53N7O12S	915.3473	NA	PeJP	NA	NA
+PJ078875	SCKMMMW 	C38H61N9O9S4	915.3475	NA	PeJP	NA	NA
+PJ078876	GPCCKMMF 	C38H61N9O9S4	915.3476	NA	PeJP	NA	NA
+PJ078877	PCCDHRW 	C38H53N13O10S2	915.348	NA	PeJP	NA	NA
+PJ078878	SSSSSTTEM 	C33H57N9O19S	915.3492	NA	PeJP	NA	NA
+PJ078879	SPEEEYY 	C41H53N7O17	915.3498	NA	PeJP	NA	NA
+PJ078880	SSSDKMMM 	C34H61N9O14S3	915.35	NA	PeJP	NA	NA
+PJ078881	NDDEMHR 	C34H53N13O15S	915.3505	NA	PeJP	NA	NA
+PJ078882	GGGGGGGGGSPPC 	C34H53N13O15S	915.3506	NA	PeJP	NA	NA
+PJ078883	PPDMMYY 	C42H57N7O12S2	915.3507	NA	PeJP	NA	NA
+PJ078884	NKMMMMM 	C35H65N9O9S5	915.3509	NA	PeJP	NA	NA
+PJ078885	GSDEHWW 	C42H49N11O13	915.3512	NA	PeJP	NA	NA
+PJ078886	CCCEFRR 	C35H57N13O10S3	915.3514	NA	PeJP	NA	NA
+PJ078887	CCRYWW 	C43H53N11O8S2	915.352	NA	PeJP	NA	NA
+PJ078888	VEEMMMF 	C39H61N7O12S3	915.3541	NA	PeJP	NA	NA
+PJ078889	SSCDRYW 	C39H53N11O13S	915.3545	NA	PeJP	NA	NA
+PJ078890	GGAEEMHW 	C39H53N11O13S	915.3546	NA	PeJP	NA	NA
+PJ078891	ACCMFRW 	C40H57N11O8S3	915.3554	NA	PeJP	NA	NA
+PJ078892	SSSSDDRY 	C35H53N11O18	915.357	NA	PeJP	NA	NA
+PJ078893	SPPDDDDR 	C35H53N11O18	915.3571	NA	PeJP	NA	NA
+PJ078894	SNDMMRY 	C36H57N11O13S2	915.3579	NA	PeJP	NA	NA
+PJ078895	NNEEHHH 	C36H49N15O14	915.3584	NA	PeJP	NA	NA
+PJ078896	GSSMYWW 	C44H53N9O11S	915.3586	NA	PeJP	NA	NA
+PJ078897	VMMMMHH 	C37H61N11O8S4	915.3588	NA	PeJP	NA	NA
+PJ078898	CCNHHFR 	C37H53N15O9S2	915.3592	NA	PeJP	NA	NA
+PJ078899	GGCCHHFR 	C37H53N15O9S2	915.3593	NA	PeJP	NA	NA
+PJ078900	GSSSSSSSCK 	C32H57N11O18S	915.3604	NA	PeJP	NA	NA
+PJ078901	ANQEEYY 	C40H53N9O16	915.361	NA	PeJP	NA	NA
+PJ078902	GSSSTEYW 	C40H53N9O16	915.3611	NA	PeJP	NA	NA
+PJ078903	SSSSMMMR 	C33H61N11O13S3	915.3613	NA	PeJP	NA	NA
+PJ078904	CDDDHRR 	C33H53N15O14S	915.3618	NA	PeJP	NA	NA
+PJ078905	GTQMMYW 	C41H57N9O11S2	915.3619	NA	PeJP	NA	NA
+PJ078906	GSSDKEMY 	C37H57N9O16S	915.3644	NA	PeJP	NA	NA
+PJ078907	GGAPPEEEM 	C37H57N9O16S	915.3645	NA	PeJP	NA	NA
+PJ078908	GSTYYYY 	C45H53N7O14	915.3651	NA	PeJP	NA	NA
+PJ078909	VNQMMMY 	C38H61N9O11S3	915.3653	NA	PeJP	NA	NA
+PJ078910	GDDMHRW 	C38H53N13O12S	915.3658	NA	PeJP	NA	NA
+PJ078911	SDHWWW 	C46H49N11O10	915.3664	NA	PeJP	NA	NA
+PJ078912	SSSSSSLMM 	C34H61N9O16S2	915.3678	NA	PeJP	NA	NA
+PJ078913	GSSDEEHR 	C34H53N13O17	915.3683	NA	PeJP	NA	NA
+PJ078914	PVDEMYY 	C42H57N7O14S	915.3685	NA	PeJP	NA	NA
+PJ078915	GSTKMMMM 	C35H65N9O11S4	915.3687	NA	PeJP	NA	NA
+PJ078916	SCCERRY 	C35H57N13O12S2	915.3691	NA	PeJP	NA	NA
+PJ078917	GSPCEMHR 	C35H57N13O12S2	915.3692	NA	PeJP	NA	NA
+PJ078918	PPMMMFY 	C43H61N7O9S3	915.3693	NA	PeJP	NA	NA
+PJ078919	GSNNNHHH 	C35H49N17O13	915.3696	NA	PeJP	NA	NA
+PJ078920	QEMHWW 	C43H53N11O10S	915.3698	NA	PeJP	NA	NA
+PJ078921	TLEEMMY 	C39H61N7O14S2	915.3718	NA	PeJP	NA	NA
+PJ078922	STQEEHW 	C39H53N11O15	915.3723	NA	PeJP	NA	NA
+PJ078923	PLMMMMY 	C40H65N7O9S4	915.3727	NA	PeJP	NA	NA
+PJ078924	GTCMRYW 	C40H57N11O10S2	915.3732	NA	PeJP	NA	NA
+PJ078925	GNEHHHW 	C40H49N15O11	915.3736	NA	PeJP	NA	NA
+PJ078926	GGGEHHHW 	C40H49N15O11	915.3737	NA	PeJP	NA	NA
+PJ078927	CQFFWW 	C48H53N9O8S	915.3738	NA	PeJP	NA	NA
+PJ078928	GSSSEMRY 	C36H57N11O15S	915.3757	NA	PeJP	NA	NA
+PJ078929	SSSTYWW 	C44H53N9O13	915.3763	NA	PeJP	NA	NA
+PJ078930	GQMMMRY 	C37H61N11O10S3	915.3765	NA	PeJP	NA	NA
+PJ078931	GGACCCKKF 	C37H61N11O10S3	915.3766	NA	PeJP	NA	NA
+PJ078932	SCNNHRW 	C37H53N15O11S	915.377	NA	PeJP	NA	NA
+PJ078933	CKMYWW 	C45H57N9O8S2	915.3772	NA	PeJP	NA	NA
+PJ078934	SSSSSCCKK 	C33H61N11O15S2	915.379	NA	PeJP	NA	NA
+PJ078935	SSSNNDHR 	C33H53N15O16	915.3795	NA	PeJP	NA	NA
+PJ078936	GGGGGGGGGGGAAQ 	C33H53N15O16	915.3796	NA	PeJP	NA	NA
+PJ078937	SSDKMYW 	C41H57N9O13S	915.3797	NA	PeJP	NA	NA
+PJ078938	TCCCCKKK 	C34H65N11O10S4	915.3799	NA	PeJP	NA	NA
+PJ078939	NFFYYY 	C49H53N7O11	915.3803	NA	PeJP	NA	NA
+PJ078940	NNNMMHR 	C34H57N15O11S2	915.3804	NA	PeJP	NA	NA
+PJ078941	ACKMMFW 	C42H61N9O8S3	915.3806	NA	PeJP	NA	NA
+PJ078942	CEHRWW 	C42H53N13O9S	915.381	NA	PeJP	NA	NA
+PJ078943	SSSSKEEY 	C37H57N9O18	915.3822	NA	PeJP	NA	NA
+PJ078944	SQKEMMY 	C38H61N9O13S2	915.3831	NA	PeJP	NA	NA
+PJ078945	SSDEHRW 	C38H53N13O14	915.3835	NA	PeJP	NA	NA
+PJ078946	GGGGGGGSPQW 	C38H53N13O14	915.3836	NA	PeJP	NA	NA
+PJ078947	PPDMFFY 	C46H57N7O11S	915.3837	NA	PeJP	NA	NA
+PJ078948	SPCMHRW 	C39H57N13O9S2	915.3844	NA	PeJP	NA	NA
+PJ078949	PDHHHHH 	C39H49N17O10	915.3849	NA	PeJP	NA	NA
+PJ078950	AMHWWW 	C47H53N11O7S	915.3851	NA	PeJP	NA	NA
+PJ078951	SSSTTTTTM 	C34H61N9O18S	915.3855	NA	PeJP	NA	NA
+PJ078952	ALEEEYY 	C42H57N7O16	915.3862	NA	PeJP	NA	NA
+PJ078953	SSTTKMMM 	C35H65N9O13S3	915.3864	NA	PeJP	NA	NA
+PJ078954	SQEEMHR 	C35H57N13O14S	915.3869	NA	PeJP	NA	NA
+PJ078955	PVEMMFY 	C43H61N7O11S2	915.3871	NA	PeJP	NA	NA
+PJ078956	NDRYYW 	C43H53N11O12	915.3875	NA	PeJP	NA	NA
+PJ078957	GTTEHWW 	C43H53N11O12	915.3876	NA	PeJP	NA	NA
+PJ078958	GCMMRRY 	C36H61N13O9S3	915.3878	NA	PeJP	NA	NA
+PJ078959	NHHHWW 	C44H49N15O8	915.3889	NA	PeJP	NA	NA
+PJ078960	VLEMMMY 	C40H65N7O11S3	915.3904	NA	PeJP	NA	NA
+PJ078961	LLDMMMY 	C40H65N7O11S3	915.3905	NA	PeJP	NA	NA
+PJ078962	GNNNNNNR 	C32H53N17O15	915.3907	NA	PeJP	NA	NA
+PJ078963	GGGGGNNNNR 	C32H53N17O15	915.3908	NA	PeJP	NA	NA
+PJ078964	SSSMRYW 	C40H57N11O12S	915.3909	NA	PeJP	NA	NA
+PJ078965	GGGGGAPPPCF 	C40H57N11O12S	915.391	NA	PeJP	NA	NA
+PJ078966	AQYYWW 	C48H53N9O10	915.3916	NA	PeJP	NA	NA
+PJ078967	AMHHHHF 	C41H53N15O8S	915.3923	NA	PeJP	NA	NA
+PJ078968	SSSSTERY 	C36H57N11O17	915.3934	NA	PeJP	NA	NA
+PJ078969	GGGGGPKEEE 	C36H57N11O17	915.3935	NA	PeJP	NA	NA
+PJ078970	STQMMRY 	C37H61N11O12S2	915.3943	NA	PeJP	NA	NA
+PJ078971	NNNDHFR 	C37H53N15O13	915.3948	NA	PeJP	NA	NA
+PJ078972	APPEMWW 	C45H57N9O10S	915.3949	NA	PeJP	NA	NA
+PJ078973	PPVCEWW 	C45H57N9O10S	915.395	NA	PeJP	NA	NA
+PJ078974	SSSSSLYW 	C41H57N9O15	915.3974	NA	PeJP	NA	NA
+PJ078975	PVQEEEW 	C41H57N9O15	915.3975	NA	PeJP	NA	NA
+PJ078976	SDDMHRR 	C34H57N15O13S	915.3981	NA	PeJP	NA	NA
+PJ078977	GGGGGSTMHR 	C34H57N15O13S	915.3982	NA	PeJP	NA	NA
+PJ078978	GTKMMYW 	C42H61N9O10S2	915.3983	NA	PeJP	NA	NA
+PJ078979	GNQQHFW 	C42H53N13O11	915.3988	NA	PeJP	NA	NA
+PJ078980	GSTTKEMY 	C38H61N9O15S	915.4008	NA	PeJP	NA	NA
+PJ078981	PPVDYYY 	C46H57N7O13	915.4015	NA	PeJP	NA	NA
+PJ078982	VNKMMMY 	C39H65N9O10S3	915.4017	NA	PeJP	NA	NA
+PJ078983	SNNKMHW 	C39H57N13O11S	915.4021	NA	PeJP	NA	NA
+PJ078984	GTEMHRW 	C39H57N13O11S	915.4022	NA	PeJP	NA	NA
+PJ078985	PPMMFFF 	C47H61N7O8S2	915.4023	NA	PeJP	NA	NA
+PJ078986	TTHWWW 	C47H53N11O9	915.4028	NA	PeJP	NA	NA
+PJ078987	SSTNNKEH 	C35H57N13O16	915.4046	NA	PeJP	NA	NA
+PJ078988	PDDEERR 	C35H57N13O16	915.4047	NA	PeJP	NA	NA
+PJ078989	PTLEMYY 	C43H61N7O13S	915.4048	NA	PeJP	NA	NA
+PJ078990	STCMRRY 	C36H61N13O11S2	915.4055	NA	PeJP	NA	NA
+PJ078991	GGGGGPPMMR 	C36H61N13O11S2	915.4056	NA	PeJP	NA	NA
+PJ078992	PLMMMFF 	C44H65N7O8S3	915.4057	NA	PeJP	NA	NA
+PJ078993	SNEHHHR 	C36H53N17O12	915.406	NA	PeJP	NA	NA
+PJ078994	KEMHWW 	C44H57N11O9S	915.4062	NA	PeJP	NA	NA
+PJ078995	APEEERW 	C40H57N11O14	915.4087	NA	PeJP	NA	NA
+PJ078996	LLMMMMF 	C41H69N7O8S4	915.4091	NA	PeJP	NA	NA
+PJ078997	GSSCNHRR 	C33H57N17O12S	915.4094	NA	PeJP	NA	NA
+PJ078998	ALQMMHW 	C41H61N11O9S2	915.4095	NA	PeJP	NA	NA
+PJ078999	SPKMMHW 	C41H61N11O9S2	915.4096	NA	PeJP	NA	NA
+PJ079000	GDKHHHW 	C41H53N15O10	915.41	NA	PeJP	NA	NA
+PJ079001	CKFFWW 	C49H57N9O7S	915.4102	NA	PeJP	NA	NA
+PJ079002	GSTTTMRY 	C37H61N11O14S	915.412	NA	PeJP	NA	NA
+PJ079003	GGSSSCKKY 	C37H61N11O14S	915.4121	NA	PeJP	NA	NA
+PJ079004	GPLEEWW 	C45H57N9O12	915.4127	NA	PeJP	NA	NA
+PJ079005	GKMMMRY 	C38H65N11O9S3	915.4129	NA	PeJP	NA	NA
+PJ079006	VQQMHHH 	C38H57N15O10S	915.4134	NA	PeJP	NA	NA
+PJ079007	GPPHHWW 	C46H53N13O8	915.4141	NA	PeJP	NA	NA
+PJ079008	GSPNDDRR 	C34H57N15O15	915.4159	NA	PeJP	NA	NA
+PJ079009	STTKMYW 	C42H61N9O12S	915.4161	NA	PeJP	NA	NA
+PJ079010	PPDFFFF 	C50H57N7O10	915.4167	NA	PeJP	NA	NA
+PJ079011	GEMMHRR 	C35H61N15O10S2	915.4168	NA	PeJP	NA	NA
+PJ079012	TMHRWW 	C43H57N13O8S	915.4174	NA	PeJP	NA	NA
+8108	peptide derived from conger eel muscle (Conger myriaster)	LGLNGDDVN	915.4176	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ079013	SSTTTKEY 	C38H61N9O17	915.4186	NA	PeJP	NA	NA
+PJ079014	SKKEMMY 	C39H65N9O12S2	915.4194	NA	PeJP	NA	NA
+PJ079015	APPLQEMM 	C39H65N9O12S2	915.4195	NA	PeJP	NA	NA
+PJ079016	STTEHRW 	C39H57N13O13	915.4199	NA	PeJP	NA	NA
+PJ079017	GGGGGGGGAALW 	C39H57N13O13	915.42	NA	PeJP	NA	NA
+PJ079018	PPVMFYY 	C47H61N7O10S	915.4201	NA	PeJP	NA	NA
+PJ079019	GVMMHRW 	C40H61N13O8S2	915.4208	NA	PeJP	NA	NA
+PJ079020	GSHHHRW 	C40H53N17O9	915.4213	NA	PeJP	NA	NA
+PJ079021	SLLEEYY 	C43H61N7O15	915.4226	NA	PeJP	NA	NA
+PJ079022	SKEEMHR 	C36H61N13O13S	915.4233	NA	PeJP	NA	NA
+PJ079023	PVLMMYY 	C44H65N7O10S2	915.4235	NA	PeJP	NA	NA
+PJ079024	SSTLHWW 	C44H57N11O11	915.4239	NA	PeJP	NA	NA
+PJ079025	GGGPKEWW 	C44H57N11O11	915.424	NA	PeJP	NA	NA
+PJ079026	AQMHHHR 	C37H57N17O9S	915.4246	NA	PeJP	NA	NA
+PJ079027	NNNNERR 	C33H57N17O14	915.4271	NA	PeJP	NA	NA
+PJ079028	GGGGGGNERR 	C33H57N17O14	915.4272	NA	PeJP	NA	NA
+PJ079029	PPTEMRW 	C41H61N11O11S	915.4273	NA	PeJP	NA	NA
+PJ079030	SKFYWW 	C49H57N9O9	915.4279	NA	PeJP	NA	NA
+PJ079031	PLEWWW 	C49H57N9O9	915.428	NA	PeJP	NA	NA
+PJ079032	SSTTTTRY 	C37H61N11O16	915.4298	NA	PeJP	NA	NA
+PJ079033	STKMMRY 	C38H65N11O11S2	915.4307	NA	PeJP	NA	NA
+PJ079034	GNQQQRW 	C38H57N15O12	915.4311	NA	PeJP	NA	NA
+PJ079035	GGGQQQRW 	C38H57N15O12	915.4312	NA	PeJP	NA	NA
+PJ079036	SPPLMWW 	C46H61N9O9S	915.4313	NA	PeJP	NA	NA
+PJ079037	MMHRRW 	C39H61N15O7S2	915.432	NA	PeJP	NA	NA
+MJ097645	Liposidomycin; Liposidomycin X-I, Desulfo 	C41H65N5O18	915.43246	NA	MeJP	NA	NA
+PJ079038	PVKEEEW 	C42H61N9O14	915.4338	NA	PeJP	NA	NA
+PJ079039	GAAPPLDEF 	C42H61N9O14	915.4339	NA	PeJP	NA	NA
+PJ079040	STEMHRR 	C35H61N15O12S	915.4345	NA	PeJP	NA	NA
+PJ079041	GGGGGGAPCKR 	C35H61N15O12S	915.4346	NA	PeJP	NA	NA
+PJ079042	AAPPLMMW 	C43H65N9O9S2	915.4347	NA	PeJP	NA	NA
+PJ079043	GSPQRWW 	C43H57N13O10	915.4352	NA	PeJP	NA	NA
+PJ079044	ACHHHRR 	C36H57N19O8S	915.4359	NA	PeJP	NA	NA
+PJ079045	SSSTLKMY 	C39H65N9O14S	915.4372	NA	PeJP	NA	NA
+PJ079046	PPTLYYY 	C47H61N7O12	915.4378	NA	PeJP	NA	NA
+PJ079047	PVVEFYY 	C47H61N7O12	915.4379	NA	PeJP	NA	NA
+PJ079048	CLKKMMY 	C40H69N9O9S3	915.4381	NA	PeJP	NA	NA
+PJ079049	SSLMHRW 	C40H61N13O10S	915.4385	NA	PeJP	NA	NA
+PJ079050	GAAPQMRW 	C40H61N13O10S	915.4386	NA	PeJP	NA	NA
+PJ079051	PNKWWW 	C48H57N11O8	915.4392	NA	PeJP	NA	NA
+PJ079052	SSSTLEHR 	C36H61N13O15	915.441	NA	PeJP	NA	NA
+PJ079053	PTEEERR 	C36H61N13O15	915.4411	NA	PeJP	NA	NA
+PJ079054	VVLEMYY 	C44H65N7O12S	915.4412	NA	PeJP	NA	NA
+PJ079055	PPEMMRR 	C37H65N13O10S2	915.4419	NA	PeJP	NA	NA
+PJ079056	GNNNRRW 	C37H57N17O11	915.4424	NA	PeJP	NA	NA
+PJ079057	APKMHFW 	C45H61N11O8S	915.4426	NA	PeJP	NA	NA
+PJ079058	SPLEERW 	C41H61N11O13	915.4451	NA	PeJP	NA	NA
+PJ079059	PCNDRRR 	C34H61N17O11S	915.4458	NA	PeJP	NA	NA
+PJ079060	PPVMMRW 	C42H65N11O8S2	915.4459	NA	PeJP	NA	NA
+PJ079061	DHFRRW 	C42H57N15O9	915.4464	NA	PeJP	NA	NA
+PJ079062	SSPPLEMR 	C38H65N11O13S	915.4484	NA	PeJP	NA	NA
+PJ079063	AAPLEEMR 	C38H65N11O13S	915.4485	NA	PeJP	NA	NA
+PJ079064	SPVLEWW 	C46H61N9O11	915.4491	NA	PeJP	NA	NA
+PJ079065	GPNMRRW 	C39H61N15O9S	915.4498	NA	PeJP	NA	NA
+PJ079066	AQQEERR 	C35H61N15O14	915.4523	NA	PeJP	NA	NA
+PJ079067	SPKKMYY 	C43H65N9O11S	915.4524	NA	PeJP	NA	NA
+PJ079068	PLLQEMW 	C43H65N9O11S	915.4525	NA	PeJP	NA	NA
+PJ079069	PPVFFFY 	C51H61N7O9	915.4531	NA	PeJP	NA	NA
+PJ079070	TCLMHRR 	C36H65N15O9S2	915.4532	NA	PeJP	NA	NA
+PJ079071	SSHHHRR 	C36H57N19O10	915.4536	NA	PeJP	NA	NA
+PJ079072	TTTTTTKY 	C39H65N9O16	915.4549	NA	PeJP	NA	NA
+PJ079073	APTLKEEE 	C39H65N9O16	915.455	NA	PeJP	NA	NA
+PJ079074	APPLKEMM 	C40H69N9O11S2	915.4558	NA	PeJP	NA	NA
+PJ079075	SPNKERW 	C40H61N13O12	915.4563	NA	PeJP	NA	NA
+PJ079076	PVLMFFY 	C48H65N7O9S	915.4565	NA	PeJP	NA	NA
+PJ079077	VLHHHHH 	C41H57N17O8	915.4576	NA	PeJP	NA	NA
+PJ079078	PVEEMRR 	C37H65N13O12S	915.4597	NA	PeJP	NA	NA
+PJ079079	VLLMMFY 	C45H69N7O9S2	915.4599	NA	PeJP	NA	NA
+PJ079080	GPDKKWW 	C45H61N11O10	915.4603	NA	PeJP	NA	NA
+PJ079081	AKMHHHR 	C38H61N17O8S	915.461	NA	PeJP	NA	NA
+PJ079082	GNEERRR 	C34H61N17O13	915.4635	NA	PeJP	NA	NA
+PJ079083	PVVEMRW 	C42H65N11O10S	915.4637	NA	PeJP	NA	NA
+PJ079084	APPLFWW 	C50H61N9O8	915.4643	NA	PeJP	NA	NA
+PJ079085	LLQEEER 	C38H65N11O15	915.4662	NA	PeJP	NA	NA
+PJ079086	APPTLMMR 	C39H69N11O10S2	915.4671	NA	PeJP	NA	NA
+PJ079087	AAQERRW 	C39H61N15O11	915.4675	NA	PeJP	NA	NA
+PJ079088	GGGVERRW 	C39H61N15O11	915.4676	NA	PeJP	NA	NA
+PJ079089	APLLMWW 	C47H65N9O8S	915.4677	NA	PeJP	NA	NA
+PJ079090	VLLQEEW 	C43H65N9O13	915.4702	NA	PeJP	NA	NA
+PJ079091	PNDKMRR 	C36H65N15O11S	915.4709	NA	PeJP	NA	NA
+PJ079092	CLKKMFF 	C44H69N9O8S2	915.4711	NA	PeJP	NA	NA
+PJ079093	GSPKRWW 	C44H61N13O9	915.4716	NA	PeJP	NA	NA
+PJ079094	GPLLKEEM 	C40H69N9O13S	915.4736	NA	PeJP	NA	NA
+PJ079095	PVVLYYY 	C48H65N7O11	915.4742	NA	PeJP	NA	NA
+PJ079096	SNNNRRR 	C33H61N19O12	915.4747	NA	PeJP	NA	NA
+PJ079097	GGSNNRRR 	C33H61N19O12	915.4748	NA	PeJP	NA	NA
+PJ079098	APQKMRW 	C41H65N13O9S	915.4749	NA	PeJP	NA	NA
+PJ079099	LKHFWW 	C49H61N11O7	915.4756	NA	PeJP	NA	NA
+PJ079100	VVEEERR 	C37H65N13O14	915.4774	NA	PeJP	NA	NA
+PJ079101	GGAALDKER 	C37H65N13O14	915.4775	NA	PeJP	NA	NA
+PJ079102	TLLLMYY 	C45H69N7O11S	915.4776	NA	PeJP	NA	NA
+PJ079103	TLKMMHR 	C38H69N13O9S2	915.4783	NA	PeJP	NA	NA
+PJ079104	NERRRW 	C38H61N17O10	915.4788	NA	PeJP	NA	NA
+PJ079105	PTQKKEW 	C42H65N11O12	915.4814	NA	PeJP	NA	NA
+MJ097646	Cargutocin 	C42H65N11O12	915.481416	NA	MeJP	NA	NA
+PJ079106	ALLEERW 	C42H65N11O12	915.4815	NA	PeJP	NA	NA
+PJ079107	SPNMRRR 	C35H65N17O10S	915.4821	NA	PeJP	NA	NA
+PJ079108	GGSPMRRR 	C35H65N17O10S	915.4822	NA	PeJP	NA	NA
+PJ079109	VNRRWW 	C43H61N15O8	915.4828	NA	PeJP	NA	NA
+PJ079110	GPTLLEMR 	C39H69N11O12S	915.4848	NA	PeJP	NA	NA
+PJ079111	GGGGGAALLLM 	C39H69N11O12S	915.4849	NA	PeJP	NA	NA
+PJ079112	GLLLEWW 	C47H65N9O10	915.4855	NA	PeJP	NA	NA
+PJ079113	APCKRRW 	C40H65N15O8S	915.4862	NA	PeJP	NA	NA
+PJ079114	AQKEERR 	C36H65N15O13	915.4887	NA	PeJP	NA	NA
+PJ079115	ALKKMYY 	C44H69N9O10S	915.4888	NA	PeJP	NA	NA
+PJ079116	PLLKEMW 	C44H69N9O10S	915.4889	NA	PeJP	NA	NA
+PJ079117	PVLFFFF 	C52H65N7O8	915.4895	NA	PeJP	NA	NA
+PJ079118	SPTLLKEE 	C40H69N9O15	915.4913	NA	PeJP	NA	NA
+PJ079119	GVLLKEEE 	C40H69N9O15	915.4914	NA	PeJP	NA	NA
+PJ079120	SPPLLKMM 	C41H73N9O10S2	915.4922	NA	PeJP	NA	NA
+PJ079121	GLQKERW 	C41H65N13O11	915.4927	NA	PeJP	NA	NA
+PJ079122	VLLMFFF 	C49H69N7O8S	915.4929	NA	PeJP	NA	NA
+PJ079123	GRRRWW 	C42H61N17O7	915.494	NA	PeJP	NA	NA
+PJ079124	PQKKEMR 	C38H69N13O11S	915.4961	NA	PeJP	NA	NA
+PJ079125	APTKKWW 	C46H65N11O9	915.4967	NA	PeJP	NA	NA
+PJ079126	GDKERRR 	C35H65N17O12	915.4999	NA	PeJP	NA	NA
+PJ079127	PTLLMRW 	C43H69N11O9S	915.5001	NA	PeJP	NA	NA
+PJ079128	LLLWWW 	C51H65N9O7	915.5007	NA	PeJP	NA	NA
+PJ079129	LLKEEER 	C39H69N11O14	915.5026	NA	PeJP	NA	NA
+PJ079130	GPVLLMMR 	C40H73N11O9S2	915.5035	NA	PeJP	NA	NA
+PJ079131	AAKERRW 	C40H65N15O10	915.5039	NA	PeJP	NA	NA
+PJ079132	VLLKEEW 	C44H69N9O12	915.5066	NA	PeJP	NA	NA
+PJ079133	PTQKMRR 	C37H69N15O10S	915.5073	NA	PeJP	NA	NA
+PJ079134	LQKRWW 	C45H65N13O8	915.5079	NA	PeJP	NA	NA
+PJ079135	GALKRWW 	C45H65N13O8	915.508	NA	PeJP	NA	NA
+PJ079136	SPVLLKEM 	C41H73N9O12S	915.51	NA	PeJP	NA	NA
+PJ079137	VVLLFYY 	C49H69N7O10	915.5106	NA	PeJP	NA	NA
+PJ079138	GSERRRR 	C34H65N19O11	915.5111	NA	PeJP	NA	NA
+PJ079139	APKKMRW 	C42H69N13O8S	915.5113	NA	PeJP	NA	NA
+PJ079140	TLLEERR 	C38H69N13O13	915.5138	NA	PeJP	NA	NA
+PJ079141	PLLMMRR 	C39H73N13O8S2	915.5147	NA	PeJP	NA	NA
+PJ079142	DKRRRW 	C39H65N17O9	915.5152	NA	PeJP	NA	NA
+PJ079143	SLLLERW 	C43H69N11O11	915.5178	NA	PeJP	NA	NA
+PJ079144	GGVLKKEW 	C43H69N11O11	915.5179	NA	PeJP	NA	NA
+PJ079145	GLQMRRR 	C36H69N17O9S	915.5185	NA	PeJP	NA	NA
+MJ097647	Angolamycin 	C46H77NO17	915.51915	NA	MeJP	NA	NA
+MJ097648	Tylosin 	C46H77NO17	915.51915	NA	MeJP	NA	NA
+C01457	Tylosin	C46H77NO17	915.5192	NA	KEGG	NA	NA
+PJ079146	AALLLEMR 	C40H73N11O11S	915.5212	NA	PeJP	NA	NA
+PJ079147	SVLLLWW 	C48H69N9O9	915.5219	NA	PeJP	NA	NA
+PJ079148	ASPTTKRR 	C37H69N15O12	915.525	NA	PeJP	NA	NA
+PJ079149	AKKEERR 	C37H69N15O12	915.5251	NA	PeJP	NA	NA
+PJ079150	LLLLQMW 	C45H73N9O9S	915.5252	NA	PeJP	NA	NA
+PJ079151	SRRRRW 	C38H65N19O8	915.5264	NA	PeJP	NA	NA
+PJ079152	ATLLLKEE 	C41H73N9O14	915.5277	NA	PeJP	NA	NA
+PJ079153	APLLLKMM 	C42H77N9O9S2	915.5286	NA	PeJP	NA	NA
+PJ079154	GLKKERW 	C42H69N13O10	915.5291	NA	PeJP	NA	NA
+PJ079155	AAMRRRR 	C35H69N19O8S	915.5298	NA	PeJP	NA	NA
+PJ079156	LLQQKMR 	C39H73N13O10S	915.5324	NA	PeJP	NA	NA
+PJ079157	VLLEMRR 	C39H73N13O10S	915.5325	NA	PeJP	NA	NA
+PJ079158	GVLKKWW 	C47H69N11O8	915.5331	NA	PeJP	NA	NA
+PJ079159	ATKERRR 	C36H69N17O11	915.5363	NA	PeJP	NA	NA
+PJ079160	VVLLMRW 	C44H73N11O8S	915.5365	NA	PeJP	NA	NA
+PJ079161	ATTLLLER 	C40H73N11O13	915.539	NA	PeJP	NA	NA
+PJ079162	GTLKRRW 	C41H69N15O9	915.5403	NA	PeJP	NA	NA
+PJ079163	GTTLLLLW 	C45H73N9O11	915.543	NA	PeJP	NA	NA
+PJ079164	PTKKMRR 	C38H73N15O9S	915.5437	NA	PeJP	NA	NA
+PJ079165	LKKRWW 	C46H69N13O7	915.5443	NA	PeJP	NA	NA
+PJ079166	GLLLLKEM 	C42H77N9O11S	915.5464	NA	PeJP	NA	NA
+PJ079167	ATTRRRR 	C35H69N19O10	915.5475	NA	PeJP	NA	NA
+PJ079168	VKKKEER 	C39H73N13O12	915.5502	NA	PeJP	NA	NA
+PJ079169	VVLHHRR 	C40H69N17O8	915.5515	NA	PeJP	NA	NA
+PJ079170	GPKFRRR 	C40H69N17O8	915.5516	NA	PeJP	NA	NA
+PJ079171	VVKKKEW 	C44H73N11O10	915.5542	NA	PeJP	NA	NA
+PJ079172	GLKMRRR 	C37H73N17O8S	915.5549	NA	PeJP	NA	NA
+PJ079173	GTLLLLMR 	C41H77N11O10S	915.5576	NA	PeJP	NA	NA
+PJ079174	PLLLKFW 	C49H73N9O8	915.5583	NA	PeJP	NA	NA
+PJ079175	SLKKERR 	C38H73N15O11	915.5614	NA	PeJP	NA	NA
+PJ079176	GGDKKKKR 	C38H73N15O11	915.5615	NA	PeJP	NA	NA
+PJ079177	LLLLKMW 	C46H77N9O8S	915.5616	NA	PeJP	NA	NA
+PJ079178	STLLLLKE 	C42H77N9O13	915.5641	NA	PeJP	NA	NA
+PJ079179	SVLKKRW 	C43H73N13O9	915.5655	NA	PeJP	NA	NA
+PJ079180	LLQKKMR 	C40H77N13O9S	915.5688	NA	PeJP	NA	NA
+PJ079181	STLKRRR 	C37H73N17O10	915.5727	NA	PeJP	NA	NA
+PJ079182	STTILLLR 	C41H77N11O12	915.5753	NA	PeJP	NA	NA
+PJ079183	STTLLLLR 	C41H77N11O12	915.5754	NA	PeJP	NA	NA
+PJ079184	LLLKHHR 	C42H73N15O8	915.5767	NA	PeJP	NA	NA
+PJ079185	GPLLLLKY 	C46H77N9O10	915.5794	NA	PeJP	NA	NA
+PJ079186	VVKKMRR 	C39H77N15O8S	915.5801	NA	PeJP	NA	NA
+PJ079187	SVLLLLKM 	C43H81N9O10S	915.5828	NA	PeJP	NA	NA
+PJ079188	GTTLLKKR 	C40H77N13O11	915.5866	NA	PeJP	NA	NA
+PJ079189	TLLKKKW 	C45H77N11O9	915.5906	NA	PeJP	NA	NA
+PJ079190	GVLLKKKM 	C42H81N11O9S	915.594	NA	PeJP	NA	NA
+PJ079191	TQKKKKR 	C39H77N15O10	915.5978	NA	PeJP	NA	NA
+PJ079192	AKKKKKW 	C44H77N13O8	915.6018	NA	PeJP	NA	NA
+PJ079193	LLKKKMR 	C41H81N13O8S	915.6052	NA	PeJP	NA	NA
+PJ079194	SSLLLKKK 	C42H81N11O11	915.6117	NA	PeJP	NA	NA
+PJ079195	GLLLLLKF 	C47H81N9O9	915.6158	NA	PeJP	NA	NA
+PJ079196	KKKKKKE 	C41H81N13O10	915.623	NA	PeJP	NA	NA
+PJ079197	TKKKKKR 	C40H81N15O9	915.6342	NA	PeJP	NA	NA
+HMDB08750	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	C54H94NO8P	915.671692	NA	HMDB2010	NA	NA
+HMDB08814	PC(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C54H94NO8P	915.671692	NA	HMDB2010	NA	NA
+HMDB09739	PE(24:0/24:0)	C53H106NO8P	915.765625	NA	HMDB2010	NA	NA
+HMDB01192	Diadenosine pentaphosphate	C20H29N10O22P5	916.014587	NA	HMDB2010	NA	NA
+HMDB01192	Diadenosine pentaphosphate	C20H29N10O22P5	916.01459	http://www.hmdb.ca/metabolites/HMDB01192	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01192	Diadenosine pentaphosphate	C20H29N10O22P5	916.01459	http://www.hmdb.ca/metabolites/HMDB01192	HMDB	NA	NA
+HMDB01192	Diadenosine pentaphosphate	C20H29N10O22P5	916.01459	http://www.hmdb.ca/metabolites/HMDB01192	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01192	Diadenosine pentaphosphate	C20H29N10O22P5	916.01459	HMDB01192	PFEM_hmdb_metabocards_official	NA	NA
+C04058	Bis(5'-adenosyl) pentaphosphate	C20H29N10O22P5	916.0146	NA	KEGG	NA	NA
+C04061	Cytochrome c N6-methyl-L-lysine	C8H15N3O2R2	916.0146	NA	KEGG	NA	NA
+MJ097649	Pterocarinin B 	C39H32O26	916.118181	NA	MeJP	NA	NA
+MJ097650	Assamicain A 	C44H36O22	916.169822	NA	MeJP	NA	NA
+MJ097651	Assamicain C 	C44H36O22	916.169822	NA	MeJP	NA	NA
+PJ079198	CCCCCDMH 	C30H48N10O11S6	916.1829	NA	PeJP	NA	NA
+PJ079199	CCCDDDDE 	C30H44N8O19S3	916.1885	NA	PeJP	NA	NA
+PJ079200	GPCCCCCND 	C30H48N10O13S5	916.2006	NA	PeJP	NA	NA
+PJ079201	GCCCCCYY 	C35H48N8O11S5	916.2046	NA	PeJP	NA	NA
+MetaCyc04308	siroheme []	C42H44N4O16FE1	916.210173	NA	metacyc	NA	NA
+C00748	Siroheme	C42H44FeN4O16	916.2102	NA	KEGG	NA	NA
+PJ079202	CCCNNDDM 	C30H48N10O15S4	916.2184	NA	PeJP	NA	NA
+PJ079203	SCCCCMMH 	C31H52N10O10S6	916.2193	NA	PeJP	NA	NA
+PJ079204	SCCDDDEM 	C31H48N8O18S3	916.2249	NA	PeJP	NA	NA
+PJ079205	PCCCDDMM 	C32H52N8O13S5	916.2258	NA	PeJP	NA	NA
+PJ079206	GSCCCCNNN 	C29H48N12O14S4	916.2296	NA	PeJP	NA	NA
+PJ079207	GCCCCNEW 	C34H48N10O12S4	916.2336	NA	PeJP	NA	NA
+PJ079208	GGGCCCCEW 	C34H48N10O12S4	916.2337	NA	PeJP	NA	NA
+PJ079209	GSSCCCNDE 	C30H48N10O17S3	916.2361	NA	PeJP	NA	NA
+PJ079210	GGGSSCCCDE 	C30H48N10O17S3	916.2362	NA	PeJP	NA	NA
+PJ079211	GSPCCCCNM 	C31H52N10O12S5	916.237	NA	PeJP	NA	NA
+PJ079212	GCDDDDDY 	C34H44N8O20S	916.2393	NA	PeJP	NA	NA
+PJ079213	PCCCDDDF 	C35H48N8O15S3	916.2402	NA	PeJP	NA	NA
+MJ097652	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(Bis-O-4-hydroxycinnamoyl-D-xyloside), 5-O-?-D-glucopyranoside 	C46H45O20(+)	916.242593	NA	MeJP	NA	NA
+PJ079214	GCDDDMMM 	C32H52N8O15S4	916.2435	NA	PeJP	NA	NA
+PJ079215	PCCCCDHH 	C33H48N12O11S4	916.2449	NA	PeJP	NA	NA
+PJ079216	CCCCNWW 	C38H48N10O9S4	916.2489	NA	PeJP	NA	NA
+PJ079217	SSCCCNDW 	C34H48N10O14S3	916.2514	NA	PeJP	NA	NA
+PJ079218	ACCCCMHF 	C35H52N10O9S5	916.2523	NA	PeJP	NA	NA
+PJ079219	SSSSCCNDD 	C30H48N10O19S2	916.2539	NA	PeJP	NA	NA
+PJ079220	SCCNNDMM 	C31H52N10O14S4	916.2548	NA	PeJP	NA	NA
+PJ079221	SPCCDDDY 	C35H48N8O17S2	916.2579	NA	PeJP	NA	NA
+PJ079222	CCDEMMW 	C36H52N8O12S4	916.2588	NA	PeJP	NA	NA
+PJ079223	SSCDDEMM 	C32H52N8O17S3	916.2613	NA	PeJP	NA	NA
+PJ079224	SPCCDMMM 	C33H56N8O12S5	916.2622	NA	PeJP	NA	NA
+PJ079225	GCCDDMHH 	C33H48N12O13S3	916.2626	NA	PeJP	NA	NA
+FL5FAAGA0047	Kaempferol 3-ferulylrobinobioside-7-rhamnoside	C43H48O22	916.26372	107742-08-5	knapsack	NA	NA
+FL5FAAGS0068	Kaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside]	C43H48O22	916.26372	131989-73-6	knapsack	NA	NA
+FL5FADGA0026	Isorhamnetin 3-(4''-p-coumarylrobinobioside)-7-rhamnoside	C43H48O22	916.26372	107742-09-6	knapsack	NA	NA
+FL5FCCGA0009	Rhamnetin 3-(3''''-p-coumaryl-rhamnosyl)(1->3)-rhamnosyl-(1->6)-galactoside	C43H48O22	916.26372	159935-07-6	knapsack	NA	NA
+MJ097653	3,3',4',5-Tetrahydroxy-7-methoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?3)-?-L-rhamnopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-galactopyranoside] 	C43H48O22	916.263723	NA	MeJP	NA	NA
+MJ097654	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[4-Hydroxycinnamoyl(??)-[rhamnosyl-(1??)]galactoside], 7-O-?-L-rhamnopyranoside 	C43H48O22	916.263723	NA	MeJP	NA	NA
+MJ097655	3,4',5,7-Tetrahydroxyflavone; 3-O-(4-Hydroxy-3-methoxycinnamoylrobinobioside) 	C43H48O22	916.263723	NA	MeJP	NA	NA
+MJ097656	3,4',5,7-Tetrahydroxyflavone; 3-O-?-L-Rhamnopyranoside, 7-O-[4-hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C43H48O22	916.263723	NA	MeJP	NA	NA
+MJ097657	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]], 5-O-?-D-glucopyranoside 	C43H49O22(+)	916.263723	NA	MeJP	NA	NA
+MJ097658	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C43H49O22(+)	916.263723	NA	MeJP	NA	NA
+PJ079226	SCCCCNER 	C30H52N12O13S4	916.266	NA	PeJP	NA	NA
+PJ079227	GDDDDDEH 	C33H44N10O21	916.2683	NA	PeJP	NA	NA
+PJ079228	GCCNNDEY 	C34H48N10O16S2	916.2692	NA	PeJP	NA	NA
+PJ079229	GSCCCQMW 	C35H52N10O11S4	916.27	NA	PeJP	NA	NA
+PJ079230	GSSSCCNEM 	C31H52N10O16S3	916.2725	NA	PeJP	NA	NA
+PJ079231	CCDDEFW 	C39H48N8O14S2	916.2732	NA	PeJP	NA	NA
+PJ079232	GCCNQMMM 	C32H56N10O11S5	916.2734	NA	PeJP	NA	NA
+PJ079233	SCCCNNHH 	C32H48N14O12S3	916.2739	NA	PeJP	NA	NA
+PJ079234	GSDDDDMY 	C35H48N8O19S	916.2757	NA	PeJP	NA	NA
+PJ079235	GPCCDEMY 	C36H52N8O14S3	916.2766	NA	PeJP	NA	NA
+PJ079236	CCCEHHW 	C37H48N12O10S3	916.2779	NA	PeJP	NA	NA
+PJ079237	GSDDMMMM 	C33H56N8O14S4	916.2799	NA	PeJP	NA	NA
+PJ079238	SSCCDEHH 	C33H48N12O15S2	916.2804	NA	PeJP	NA	NA
+PJ079239	APCCMMMM 	C34H60N8O9S6	916.2808	NA	PeJP	NA	NA
+PJ079240	GSCCCCRW 	C34H52N12O10S4	916.2813	NA	PeJP	NA	NA
+PJ079241	DDDDDHW 	C37H44N10O18	916.2835	NA	PeJP	NA	NA
+PJ079242	GSSSCCCDR 	C30H52N12O15S3	916.2838	NA	PeJP	NA	NA
+PJ079243	CCNNDYW 	C38H48N10O13S2	916.2844	NA	PeJP	NA	NA
+PJ079244	GCCCNMMR 	C31H56N12O10S5	916.2846	NA	PeJP	NA	NA
+FL3FABGS0020	Acacetin 7-rhamnosyl-(1->2)-glucosyl-(1->2)-glucosyl-(1->2)-glucoside;7-([O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	C40H52O24	916.28485	183964-93-4	knapsack	NA	NA
+FL5FADGA0019	Isorhamnetin 3-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]-7-rhamnoside	C40H52O24	916.28485	107585-66-0	knapsack	NA	NA
+FL5FADGS0027	Isorhamnetin 3-(2G-rhamnosylrutinoside)-7-rhamnoside;Quercetin 3'-methyl ether;3-(2G-rhamnosylrutinoside)-7-rhamnoside;3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C40H52O24	916.28485	154171-32-1	knapsack	NA	NA
+MJ097659	3,4',5,7-Tetrahydroxy-3'-methoxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-galactopyranoside], 7-O-?-L-rhamnopyranoside 	C40H52O24	916.284852	NA	MeJP	NA	NA
+MJ097660	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2'',6''-Di-O-?-L-rhamnopyranosyl, 7-O-?-L-rhamnopyranoside 	C40H52O24	916.284852	NA	MeJP	NA	NA
+MJ097661	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C40H52O24	916.284852	NA	MeJP	NA	NA
+MJ097662	Sucrose; 3',6-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl), 3-O-?-D-glucopyranoside 	C40H52O24	916.284852	NA	MeJP	NA	NA
+PJ079245	SSCNNDDY 	C34H48N10O18S	916.2869	NA	PeJP	NA	NA
+PJ079246	SSSCCNMW 	C35H52N10O13S3	916.2878	NA	PeJP	NA	NA
+PJ079247	SSSSSCNDM 	C31H52N10O18S2	916.2903	NA	PeJP	NA	NA
+PJ079248	SCDDEYW 	C39H48N8O16S	916.2909	NA	PeJP	NA	NA
+PJ079249	SSCNNMMM 	C32H56N10O13S4	916.2911	NA	PeJP	NA	NA
+PJ079250	GGSSCNMMM 	C32H56N10O13S4	916.2912	NA	PeJP	NA	NA
+PJ079251	PCCDMYW 	C40H52N8O11S3	916.2918	NA	PeJP	NA	NA
+PJ079252	SSSDDDEY 	C35H48N8O21	916.2934	NA	PeJP	NA	NA
+PJ079253	PPDDDDDE 	C35H48N8O21	916.2935	NA	PeJP	NA	NA
+PJ079254	NDDEMMY 	C36H52N8O16S2	916.2943	NA	PeJP	NA	NA
+PJ079255	SCEMMMW 	C37H56N8O11S4	916.2952	NA	PeJP	NA	NA
+PJ079256	ACCCCCRR 	C30H56N14O9S5	916.2959	NA	PeJP	NA	NA
+PJ079257	SSSDEMMM 	C33H56N8O16S3	916.2977	NA	PeJP	NA	NA
+PJ079258	ACNNDDEH 	C33H48N12O17S	916.2981	NA	PeJP	NA	NA
+PJ079259	GNNDDDMH 	C33H48N12O17S	916.2982	NA	PeJP	NA	NA
+PJ079260	NEMMMMM 	C34H60N8O11S5	916.2985	NA	PeJP	NA	NA
+PJ079261	GGEMMMMM 	C34H60N8O11S5	916.2986	NA	PeJP	NA	NA
+PJ079262	GCCCNDFR 	C34H52N12O12S3	916.299	NA	PeJP	NA	NA
+PJ079263	SSCCCQMR 	C31H56N12O12S4	916.3024	NA	PeJP	NA	NA
+PJ079264	CCNNMFW 	C39H52N10O10S3	916.303	NA	PeJP	NA	NA
+PJ079265	GGGGCCMFW 	C39H52N10O10S3	916.3031	NA	PeJP	NA	NA
+PJ079266	GSDDEEEH 	C34H48N10O20	916.3047	NA	PeJP	NA	NA
+PJ079267	GSSSSTCCW 	C35H52N10O15S2	916.3055	NA	PeJP	NA	NA
+PJ079268	GGGGGSCEMY 	C35H52N10O15S2	916.3056	NA	PeJP	NA	NA
+PJ079269	GSCCCKMW 	C36H56N10O10S4	916.3064	NA	PeJP	NA	NA
+PJ079270	GSSSSSSSCE 	C31H52N10O20S	916.308	NA	PeJP	NA	NA
+PJ079271	NDDDEFY 	C39H48N8O18	916.3087	NA	PeJP	NA	NA
+PJ079272	GSSSSCQMM 	C32H56N10O15S3	916.3089	NA	PeJP	NA	NA
+PJ079273	SCNNNNDH 	C32H48N14O16S	916.3094	NA	PeJP	NA	NA
+PJ079274	GDDMMYW 	C40H52N8O13S2	916.3096	NA	PeJP	NA	NA
+PJ079275	CDMMMMR 	C33H60N10O10S5	916.3098	NA	PeJP	NA	NA
+PJ079276	PCCMMFW 	C41H56N8O8S4	916.3104	NA	PeJP	NA	NA
+PJ079277	GSSDEEMY 	C36H52N8O18S	916.3121	NA	PeJP	NA	NA
+PJ079278	GSPCEMMY 	C37H56N8O13S3	916.3129	NA	PeJP	NA	NA
+PJ079279	CNNDEHW 	C37H48N12O14S	916.3134	NA	PeJP	NA	NA
+PJ079280	SSCCCCRR 	C30H56N14O11S4	916.3136	NA	PeJP	NA	NA
+PJ079281	GMMMMMW 	C38H60N8O8S5	916.3138	NA	PeJP	NA	NA
+PJ079282	TCCMHHW 	C38H52N12O9S3	916.3143	NA	PeJP	NA	NA
+PJ079283	SSNNDDEH 	C33H48N12O19	916.3159	NA	PeJP	NA	NA
+PJ079284	GSTEMMMM 	C34H60N8O13S4	916.3163	NA	PeJP	NA	NA
+PJ079285	GSCCNDRY 	C34H52N12O14S2	916.3168	NA	PeJP	NA	NA
+PJ079286	CQMMMHH 	C35H56N12O9S4	916.3176	NA	PeJP	NA	NA
+PJ079287	GACMMMHH 	C35H56N12O9S4	916.3177	NA	PeJP	NA	NA
+PJ079288	GSCCHHHH 	C35H48N16O10S2	916.3181	NA	PeJP	NA	NA
+PJ079289	SDDEEHW 	C38H48N10O17	916.3199	NA	PeJP	NA	NA
+PJ079290	GSSSSCCMR 	C31H56N12O14S3	916.3201	NA	PeJP	NA	NA
+PJ079291	SCNNMYW 	C39H52N10O12S2	916.3208	NA	PeJP	NA	NA
+PJ079292	ACCCCKMR 	C32H60N12O9S5	916.321	NA	PeJP	NA	NA
+PJ079293	SSSSSSSCW 	C35H52N10O17S	916.3233	NA	PeJP	NA	NA
+PJ079294	GDDDFYW 	C43H48N8O15	916.324	NA	PeJP	NA	NA
+PJ079295	SSTCCCKW 	C36H56N10O12S3	916.3242	NA	PeJP	NA	NA
+PJ079296	GPCDDHHH 	C36H48N14O13S	916.3247	NA	PeJP	NA	NA
+PJ079297	CEMYWW 	C44H52N8O10S2	916.3248	NA	PeJP	NA	NA
+PJ079298	SSSSSSSSSD 	C31H52N10O22	916.3258	NA	PeJP	NA	NA
+PJ079299	SSSSSSNMM 	C32H56N10O17S2	916.3266	NA	PeJP	NA	NA
+PJ079300	GGSSSSSSMM 	C32H56N10O17S2	916.3267	NA	PeJP	NA	NA
+PJ079301	SSDEMYW 	C40H52N8O15S	916.3273	NA	PeJP	NA	NA
+PJ079302	SSCCQKMM 	C33H60N10O12S4	916.3275	NA	PeJP	NA	NA
+PJ079303	GCNNNQMH 	C33H52N14O13S2	916.328	NA	PeJP	NA	NA
+PJ079304	SPCMMYW 	C41H56N8O10S3	916.3282	NA	PeJP	NA	NA
+PJ079305	GCNDHWW 	C41H48N12O11S	916.3287	NA	PeJP	NA	NA
+PJ079306	CCMMHHR 	C34H56N14O8S4	916.3289	NA	PeJP	NA	NA
+PJ079307	SSSSEEEY 	C36H52N8O20	916.3298	NA	PeJP	NA	NA
+PJ079308	SQEEMMY 	C37H56N8O15S2	916.3307	NA	PeJP	NA	NA
+PJ079309	GSSNDDHW 	C37H48N12O16	916.3312	NA	PeJP	NA	NA
+PJ079310	DMYYYY 	C45H52N6O13S	916.3313	NA	PeJP	NA	NA
+PJ079311	STMMMMW 	C38H60N8O10S4	916.3315	NA	PeJP	NA	NA
+PJ079312	PNMMMMY 	C38H60N8O10S4	916.3316	NA	PeJP	NA	NA
+PJ079313	GSPCCQHW 	C38H52N12O11S2	916.332	NA	PeJP	NA	NA
+PJ079314	SSTTEMMM 	C34H60N8O15S3	916.3341	NA	PeJP	NA	NA
+PJ079315	DDDEMHR 	C34H52N12O16S	916.3345	NA	PeJP	NA	NA
+PJ079316	GGGGGSEEMH 	C34H52N12O16S	916.3346	NA	PeJP	NA	NA
+PJ079317	DKMMMMM 	C35H64N8O10S5	916.3349	NA	PeJP	NA	NA
+PJ079318	CCNQMRY 	C35H56N12O11S3	916.3354	NA	PeJP	NA	NA
+PJ079319	CCNHFFF 	C43H52N10O9S2	916.3361	NA	PeJP	NA	NA
+PJ079320	SSSSSTCCR 	C31H56N12O16S2	916.3379	NA	PeJP	NA	NA
+PJ079321	GSSSCQYW 	C39H52N10O14S	916.3385	NA	PeJP	NA	NA
+PJ079322	GGGSSTCYW 	C39H52N10O14S	916.3386	NA	PeJP	NA	NA
+PJ079323	SSCCCKMR 	C32H60N12O11S4	916.3388	NA	PeJP	NA	NA
+PJ079324	GCCNNNHR 	C32H52N16O12S2	916.3392	NA	PeJP	NA	NA
+PJ079325	GGGCCNNHR 	C32H52N16O12S2	916.3393	NA	PeJP	NA	NA
+PJ079326	CCCQKFW 	C40H56N10O9S3	916.3394	NA	PeJP	NA	NA
+PJ079327	GSSSSSNEY 	C35H52N10O19	916.341	NA	PeJP	NA	NA
+PJ079328	GGGSSSSSEY 	C35H52N10O19	916.3411	NA	PeJP	NA	NA
+PJ079329	SDDMMRY 	C36H56N10O14S2	916.3419	NA	PeJP	NA	NA
+PJ079330	NDEEHHH 	C36H48N14O15	916.3424	NA	PeJP	NA	NA
+PJ079331	GPCEYYW 	C44H52N8O12S	916.3426	NA	PeJP	NA	NA
+PJ079332	APPCMMMH 	C37H60N10O9S4	916.3428	NA	PeJP	NA	NA
+PJ079333	CCDHHFR 	C37H52N14O10S2	916.3433	NA	PeJP	NA	NA
+PJ079334	GSSSSSSSTM 	C32H56N10O19S	916.3444	NA	PeJP	NA	NA
+PJ079335	GQEEEYY 	C40H52N8O17	916.3451	NA	PeJP	NA	NA
+PJ079336	GSSSSCKMM 	C33H60N10O14S3	916.3453	NA	PeJP	NA	NA
+PJ079337	GSCNDEHR 	C33H52N14O15S	916.3458	NA	PeJP	NA	NA
+PJ079338	GTEMMYW 	C41H56N8O12S2	916.3459	NA	PeJP	NA	NA
+PJ079339	GGPDMMFY 	C41H56N8O12S2	916.346	NA	PeJP	NA	NA
+PJ079340	SMMMMMR 	C34H64N10O9S5	916.3462	NA	PeJP	NA	NA
+PJ079341	CCCNRRY 	C34H56N14O10S3	916.3466	NA	PeJP	NA	NA
+PJ079342	GGGPCCMHR 	C34H56N14O10S3	916.3467	NA	PeJP	NA	NA
+PJ079343	GCMHHFW 	C42H52N12O8S2	916.3473	NA	PeJP	NA	NA
+PJ079344	GSTTEEMY 	C37H56N8O17S	916.3484	NA	PeJP	NA	NA
+PJ079345	GPPEEEEM 	C37H56N8O17S	916.3485	NA	PeJP	NA	NA
+PJ079346	VNEMMMY 	C38H60N8O12S3	916.3493	NA	PeJP	NA	NA
+PJ079347	SNNEMHW 	C38H52N12O13S	916.3498	NA	PeJP	NA	NA
+PJ079348	MMFYYY 	C46H56N6O10S2	916.35	NA	PeJP	NA	NA
+PJ079349	GPNDDDER 	C34H52N12O18	916.3523	NA	PeJP	NA	NA
+PJ079350	SSSLMMMM 	C35H64N8O12S4	916.3527	NA	PeJP	NA	NA
+PJ079351	GSSCNMRY 	C35H56N12O13S2	916.3532	NA	PeJP	NA	NA
+PJ079352	GSNNDHHH 	C35H48N16O14	916.3536	NA	PeJP	NA	NA
+PJ079353	GGGGGSDHHH 	C35H48N16O14	916.3537	NA	PeJP	NA	NA
+PJ079354	EEMHWW 	C43H52N10O11S	916.3538	NA	PeJP	NA	NA
+PJ079355	CKMMMHH 	C36H60N12O8S4	916.354	NA	PeJP	NA	NA
+PJ079356	SSSSSNYW 	C39H52N10O16	916.3563	NA	PeJP	NA	NA
+PJ079357	SCCQKYW 	C40H56N10O11S2	916.3572	NA	PeJP	NA	NA
+PJ079358	GDEHHHW 	C40H48N14O12	916.3577	NA	PeJP	NA	NA
+PJ079359	PCYYWW 	C48H52N8O9S	916.3578	NA	PeJP	NA	NA
+PJ079360	SSSSQQMY 	C36H56N10O16S	916.3597	NA	PeJP	NA	NA
+PJ079361	QEEYYW 	C44H52N8O14	916.3603	NA	PeJP	NA	NA
+PJ079362	ADMMMRY 	C37H60N10O11S3	916.3605	NA	PeJP	NA	NA
+PJ079363	GEMMMRY 	C37H60N10O11S3	916.3606	NA	PeJP	NA	NA
+PJ079364	SCNDHRW 	C37H52N14O12S	916.361	NA	PeJP	NA	NA
+PJ079365	TMMYWW 	C45H56N8O9S2	916.3612	NA	PeJP	NA	NA
+PJ079366	SSSSSSSSTT 	C32H56N10O21	916.3622	NA	PeJP	NA	NA
+PJ079367	SSSSSTCKM 	C33H60N10O16S2	916.363	NA	PeJP	NA	NA
+PJ079368	SSSNDDHR 	C33H52N14O17	916.3635	NA	PeJP	NA	NA
+PJ079369	GGGGGGGGGQQE 	C33H52N14O17	916.3636	NA	PeJP	NA	NA
+PJ079370	STTEMYW 	C41H56N8O14S	916.3637	NA	PeJP	NA	NA
+PJ079371	SSCCKKMM 	C34H64N10O11S4	916.3639	NA	PeJP	NA	NA
+PJ079372	DFFYYY 	C49H52N6O12	916.3643	NA	PeJP	NA	NA
+PJ079373	NNDMMHR 	C34H56N14O12S2	916.3644	NA	PeJP	NA	NA
+PJ079374	GVMMMYW 	C42H60N8O9S3	916.3646	NA	PeJP	NA	NA
+PJ079375	GSNMHWW 	C42H52N12O10S	916.365	NA	PeJP	NA	NA
+PJ079376	GGGSMHWW 	C42H52N12O10S	916.3651	NA	PeJP	NA	NA
+PJ079377	SSTTTEEY 	C37H56N8O19	916.3662	NA	PeJP	NA	NA
+PJ079378	SKEEMMY 	C38H60N8O14S2	916.3671	NA	PeJP	NA	NA
+PJ079379	GSSSQEHW 	C38H52N12O15	916.3675	NA	PeJP	NA	NA
+PJ079380	PNDDDRW 	C38H52N12O15	916.3676	NA	PeJP	NA	NA
+PJ079381	VQMMMMF 	C39H64N8O9S4	916.3679	NA	PeJP	NA	NA
+PJ079382	GGLMMMMF 	C39H64N8O9S4	916.368	NA	PeJP	NA	NA
+PJ079383	GQQMMHW 	C39H56N12O10S2	916.3684	NA	PeJP	NA	NA
+PJ079384	TTTTTMMM 	C35H64N8O14S3	916.3704	NA	PeJP	NA	NA
+PJ079385	SSSSCQRY 	C35H56N12O15S	916.3709	NA	PeJP	NA	NA
+PJ079386	GGGGGGGAAPEM 	C35H56N12O15S	916.371	NA	PeJP	NA	NA
+PJ079387	GPNEEWW 	C43H52N10O13	916.3716	NA	PeJP	NA	NA
+PJ079388	CCNKMRY 	C36H60N12O10S3	916.3718	NA	PeJP	NA	NA
+PJ079389	NNQMHHH 	C36H52N16O11S	916.3722	NA	PeJP	NA	NA
+PJ079390	GGNQMHHH 	C36H52N16O11S	916.3723	NA	PeJP	NA	NA
+PJ079391	PPCMHFW 	C44H56N10O8S2	916.3724	NA	PeJP	NA	NA
+PJ079392	DHHHWW 	C44H48N14O9	916.3729	NA	PeJP	NA	NA
+PJ079393	GNNNNNDR 	C32H52N16O16	916.3748	NA	PeJP	NA	NA
+PJ079394	GSSSCKYW 	C40H56N10O13S	916.3749	NA	PeJP	NA	NA
+PJ079395	GGGSPPEMW 	C40H56N10O13S	916.375	NA	PeJP	NA	NA
+PJ079396	AEYYWW 	C48H52N8O11	916.3756	NA	PeJP	NA	NA
+PJ079397	MMMRYW 	C41H60N10O8S3	916.3758	NA	PeJP	NA	NA
+PJ079398	PTCHHHW 	C41H52N14O9S	916.3763	NA	PeJP	NA	NA
+PJ079399	GSSSSSDKY 	C36H56N10O18	916.3774	NA	PeJP	NA	NA
+PJ079400	GPNDKEEE 	C36H56N10O18	916.3775	NA	PeJP	NA	NA
+PJ079401	STEMMRY 	C37H60N10O13S2	916.3783	NA	PeJP	NA	NA
+PJ079402	NNNNQQW 	C37H52N14O14	916.3788	NA	PeJP	NA	NA
+PJ079403	GPTMYYW 	C45H56N8O11S	916.379	NA	PeJP	NA	NA
+PJ079404	AMMMMFR 	C38H64N10O8S4	916.3792	NA	PeJP	NA	NA
+PJ079405	ACNMHRW 	C38H56N14O9S2	916.3796	NA	PeJP	NA	NA
+PJ079406	GCQMHRW 	C38H56N14O9S2	916.3797	NA	PeJP	NA	NA
+PJ079407	SVQEEYY 	C41H56N8O16	916.3814	NA	PeJP	NA	NA
+PJ079408	PVEEEEW 	C41H56N8O16	916.3815	NA	PeJP	NA	NA
+PJ079409	SSCNNQKH 	C34H56N14O14S	916.3821	NA	PeJP	NA	NA
+PJ079410	GSSNEMHR 	C34H56N14O14S	916.3822	NA	PeJP	NA	NA
+PJ079411	SSLMMYW 	C42H60N8O11S2	916.3823	NA	PeJP	NA	NA
+PJ079412	SSSQHWW 	C42H52N12O12	916.3828	NA	PeJP	NA	NA
+PJ079413	MFFFYY 	C50H56N6O9S	916.383	NA	PeJP	NA	NA
+PJ079414	CNNHHHR 	C35H52N18O10S	916.3835	NA	PeJP	NA	NA
+PJ079415	SSSTLEMY 	C38H60N8O16S	916.3848	NA	PeJP	NA	NA
+PJ079416	VDKMMMY 	C39H64N8O11S3	916.3857	NA	PeJP	NA	NA
+PJ079417	GSPPCDRW 	C39H56N12O12S	916.3862	NA	PeJP	NA	NA
+PJ079418	PNEWWW 	C47H52N10O10	916.3868	NA	PeJP	NA	NA
+PJ079419	GSSSSSSRY 	C35H56N12O17	916.3887	NA	PeJP	NA	NA
+PJ079420	GSTCCKRY 	C36H60N12O12S2	916.3895	NA	PeJP	NA	NA
+PJ079421	LDDMMHR 	C36H60N12O12S2	916.3896	NA	PeJP	NA	NA
+PJ079422	SDEHHHR 	C36H52N16O13	916.39	NA	PeJP	NA	NA
+PJ079423	GGGGGGGGAPHH 	C36H52N16O13	916.3901	NA	PeJP	NA	NA
+PJ079424	SPPNMWW 	C44H56N10O10S	916.3902	NA	PeJP	NA	NA
+PJ079425	GCCHRRW 	C37H56N16O8S2	916.3909	NA	PeJP	NA	NA
+PJ079426	PNDKEEW 	C40H56N10O15	916.3927	NA	PeJP	NA	NA
+PJ079427	GSSCDHRR 	C33H56N16O13S	916.3934	NA	PeJP	NA	NA
+PJ079428	SCCKKYW 	C41H60N10O10S2	916.3936	NA	PeJP	NA	NA
+PJ079429	ATEHHHW 	C41H52N14O11	916.394	NA	PeJP	NA	NA
+PJ079430	GGPEHHHF 	C41H52N14O11	916.3941	NA	PeJP	NA	NA
+PJ079431	CLFYWW 	C49H56N8O8S	916.3942	NA	PeJP	NA	NA
+PJ079432	SSSSQKMY 	C37H60N10O15S	916.3961	NA	PeJP	NA	NA
+PJ079433	KEEYYW 	C45H56N8O13	916.3967	NA	PeJP	NA	NA
+PJ079434	SVMMMRY 	C38H64N10O10S3	916.3969	NA	PeJP	NA	NA
+PJ079435	GGPPPCKMM 	C38H64N10O10S3	916.397	NA	PeJP	NA	NA
+PJ079436	SSNMHRW 	C38H56N14O11S	916.3974	NA	PeJP	NA	NA
+PJ079437	GVMMFFW 	C46H60N8O8S2	916.3976	NA	PeJP	NA	NA
+PJ079438	NQHFWW 	C46H52N12O9	916.3981	NA	PeJP	NA	NA
+PJ079439	GSPDDDRR 	C34H56N14O16	916.3999	NA	PeJP	NA	NA
+PJ079440	GGGGGGGGGAADK 	C34H56N14O16	916.4	NA	PeJP	NA	NA
+PJ079441	SPKEMYY 	C42H60N8O13S	916.4001	NA	PeJP	NA	NA
+PJ079442	VFYYYY 	C50H56N6O11	916.4007	NA	PeJP	NA	NA
+PJ079443	GPPCCERR 	C35H60N14O11S2	916.4008	NA	PeJP	NA	NA
+PJ079444	GTCKHWW 	C43H56N12O9S	916.4014	NA	PeJP	NA	NA
+7883	peptide from tropomyosin, pork muscles	EELDNALN	916.4017	antibacterial	Inhouse_peptide	NA	peptide
+PJ079445	GPWWWW 	C51H52N10O7	916.4021	NA	PeJP	NA	NA
+PJ079446	TTTTTTEY 	C38H60N8O18	916.4026	NA	PeJP	NA	NA
+32	Myofibrillar	EELDNALN	916.403	celiac toxic	Inhouse_peptide	NA	peptide
+PJ079447	GTTTLMMY 	C39H64N8O13S2	916.4035	NA	PeJP	NA	NA
+PJ079448	SPNEERW 	C39H56N12O14	916.4039	NA	PeJP	NA	NA
+PJ079449	GGGGGGLQEW 	C39H56N12O14	916.404	NA	PeJP	NA	NA
+PJ079450	VKMMMMF 	C40H68N8O8S4	916.4043	NA	PeJP	NA	NA
+PJ079451	PPCQMRW 	C40H60N12O9S2	916.4048	NA	PeJP	NA	NA
+PJ079452	SSSSCKRY 	C36H60N12O14S	916.4073	NA	PeJP	NA	NA
+PJ079453	TERYYW 	C44H56N10O12	916.4079	NA	PeJP	NA	NA
+PJ079454	GPDKEWW 	C44H56N10O12	916.408	NA	PeJP	NA	NA
+PJ079455	APCCKKMH 	C37H64N12O9S3	916.4082	NA	PeJP	NA	NA
+PJ079456	AEMHHHR 	C37H56N16O10S	916.4086	NA	PeJP	NA	NA
+PJ079457	CLDHHHR 	C37H56N16O10S	916.4087	NA	PeJP	NA	NA
+PJ079458	MMFFRW 	C45H60N10O7S2	916.4088	NA	PeJP	NA	NA
+PJ079459	GPHHHFW 	C45H52N14O8	916.4093	NA	PeJP	NA	NA
+PJ079460	NNNDERR 	C33H56N16O15	916.4111	NA	PeJP	NA	NA
+PJ079461	GGNNDERR 	C33H56N16O15	916.4112	NA	PeJP	NA	NA
+PJ079462	TTLEMHW 	C41H60N10O12S	916.4113	NA	PeJP	NA	NA
+PJ079463	SLYYWW 	C49H56N8O10	916.412	NA	PeJP	NA	NA
+PJ079464	GLMHHHW 	C42H56N14O8S	916.4127	NA	PeJP	NA	NA
+PJ079465	GSSSSTTKY 	C37H60N10O17	916.4138	NA	PeJP	NA	NA
+PJ079466	GGGGGLLEEE 	C37H60N10O17	916.4139	NA	PeJP	NA	NA
+PJ079467	GSTCKKMY 	C38H64N10O12S2	916.4147	NA	PeJP	NA	NA
+PJ079468	GSSSTHRW 	C38H56N14O13	916.4152	NA	PeJP	NA	NA
+PJ079469	AALMYYW 	C46H60N8O10S	916.4153	NA	PeJP	NA	NA
+PJ079470	GGPVMFFY 	C46H60N8O10S	916.4154	NA	PeJP	NA	NA
+PJ079471	PPCCRRW 	C39H60N14O8S2	916.416	NA	PeJP	NA	NA
+PJ079472	VNHHHHH 	C39H52N18O9	916.4165	NA	PeJP	NA	NA
+PJ079473	SVKEEYY 	C42H60N8O15	916.4178	NA	PeJP	NA	NA
+PJ079474	SPPPVEEY 	C42H60N8O15	916.4179	NA	PeJP	NA	NA
+PJ079475	PNDEMRR 	C35H60N14O13S	916.4185	NA	PeJP	NA	NA
+PJ079476	GGPDEMRR 	C35H60N14O13S	916.4186	NA	PeJP	NA	NA
+PJ079477	PCLKMYY 	C43H64N8O10S2	916.4187	NA	PeJP	NA	NA
+PJ079478	GSPERWW 	C43H56N12O11	916.4192	NA	PeJP	NA	NA
+PJ079479	STTTTLMY 	C39H64N8O15S	916.4212	NA	PeJP	NA	NA
+PJ079480	TLKMMMY 	C40H68N8O10S3	916.4221	NA	PeJP	NA	NA
+PJ079481	STQKMHW 	C40H60N12O11S	916.4225	NA	PeJP	NA	NA
+PJ079482	APQEMRW 	C40H60N12O11S	916.4226	NA	PeJP	NA	NA
+PJ079483	PDKWWW 	C48H56N10O9	916.4232	NA	PeJP	NA	NA
+PJ079484	SCCHRRR 	C33H60N18O9S2	916.4233	NA	PeJP	NA	NA
+PJ079485	SSSSSPTKH 	C36H60N12O16	916.425	NA	PeJP	NA	NA
+PJ079486	VQQEEER 	C36H60N12O16	916.4251	NA	PeJP	NA	NA
+PJ079487	TLEMMHR 	C37H64N12O11S2	916.4259	NA	PeJP	NA	NA
+PJ079488	GGGAPPCCKK 	C37H64N12O11S2	916.426	NA	PeJP	NA	NA
+PJ079489	GNNDRRW 	C37H56N16O12	916.4264	NA	PeJP	NA	NA
+PJ079490	GPLQMWW 	C45H60N10O9S	916.4266	NA	PeJP	NA	NA
+PJ079491	GHHHHHR 	C38H52N20O8	916.4278	NA	PeJP	NA	NA
+PJ079492	PTQKEEW 	C41H60N10O14	916.4291	NA	PeJP	NA	NA
+PJ079493	PCDDRRR 	C34H60N16O12S	916.4298	NA	PeJP	NA	NA
+PJ079494	SLLMMHW 	C42H64N10O9S2	916.4299	NA	PeJP	NA	NA
+PJ079495	VTLMMHW 	C42H64N10O9S2	916.43	NA	PeJP	NA	NA
+MJ097663	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-glucopyranoside] 	C44H68O20	916.430394	NA	MeJP	NA	NA
+PJ079496	NQQRWW 	C42H56N14O10	916.4304	NA	PeJP	NA	NA
+PJ079497	SSSSKKMY 	C38H64N10O14S	916.4324	NA	PeJP	NA	NA
+PJ079498	SSTILEMH 	C38H64N10O14S	916.4325	NA	PeJP	NA	NA
+PJ079499	ATTLYYW 	C46H60N8O12	916.4331	NA	PeJP	NA	NA
+PJ079500	AALLMMMH 	C39H68N10O9S3	916.4333	NA	PeJP	NA	NA
+PJ079501	GPDMRRW 	C39H60N14O10S	916.4338	NA	PeJP	NA	NA
+PJ079502	SPRWWW 	C47H56N12O8	916.4344	NA	PeJP	NA	NA
+PJ079503	GGKHFWW 	C47H56N12O8	916.4345	NA	PeJP	NA	NA
+PJ079504	AQEEERR 	C35H60N14O15	916.4363	NA	PeJP	NA	NA
+PJ079505	PLLEEMW 	C43H64N8O12S	916.4365	NA	PeJP	NA	NA
+PJ079506	GPPTCMRR 	C36H64N14O10S2	916.4372	NA	PeJP	NA	NA
+MJ097664	Brevetoxin C 	C49H69ClO14	916.437584	NA	MeJP	NA	NA
+PJ079507	AAPMRWW 	C44H60N12O8S	916.4378	NA	PeJP	NA	NA
+PJ079508	GVLLEEEE 	C39H64N8O17	916.439	NA	PeJP	NA	NA
+PJ079509	SPPLLEMM 	C40H68N8O12S2	916.4399	NA	PeJP	NA	NA
+PJ079510	GLQEERW 	C40H60N12O13	916.4403	NA	PeJP	NA	NA
+PJ079511	GGGGGGGAAPLF 	C40H60N12O13	916.4404	NA	PeJP	NA	NA
+PJ079512	PPCKMRW 	C41H64N12O8S2	916.4412	NA	PeJP	NA	NA
+PJ079513	GPQHHRW 	C41H56N16O9	916.4417	NA	PeJP	NA	NA
+PJ079514	PQKEEMR 	C37H64N12O13S	916.4437	NA	PeJP	NA	NA
+PJ079515	APTKEWW 	C45H60N10O11	916.4443	NA	PeJP	NA	NA
+PJ079516	GGGLLEWW 	C45H60N10O11	916.4444	NA	PeJP	NA	NA
+PJ079517	VLMMMHR 	C38H68N12O8S3	916.4446	NA	PeJP	NA	NA
+PJ079518	GNMHFRR 	C38H60N16O9S	916.445	NA	PeJP	NA	NA
+PJ079519	GDEERRR 	C34H60N16O14	916.4475	NA	PeJP	NA	NA
+PJ079520	GGGGGATERR 	C34H60N16O14	916.4476	NA	PeJP	NA	NA
+PJ079521	PVQKEMW 	C42H64N10O11S	916.4477	NA	PeJP	NA	NA
+PJ079522	AALFFYW 	C50H60N8O9	916.4484	NA	PeJP	NA	NA
+PJ079523	LLEEEER 	C38H64N10O16	916.4502	NA	PeJP	NA	NA
+PJ079524	ATTLLMMH 	C39H68N10O11S2	916.4511	NA	PeJP	NA	NA
+PJ079525	ANNKERW 	C39H60N14O12	916.4515	NA	PeJP	NA	NA
+PJ079526	AAEERRW 	C39H60N14O12	916.4516	NA	PeJP	NA	NA
+PJ079527	PCLKFFY 	C47H64N8O9S	916.4517	NA	PeJP	NA	NA
+PJ079528	PPHHHHR 	C40H56N18O8	916.4529	NA	PeJP	NA	NA
+PJ079529	VLLEEEW 	C43H64N8O14	916.4542	NA	PeJP	NA	NA
+PJ079530	PTQEMRR 	C36H64N14O12S	916.4549	NA	PeJP	NA	NA
+PJ079531	GGGGGGGVLMR 	C36H64N14O12S	916.455	NA	PeJP	NA	NA
+PJ079532	VVKMMFY 	C44H68N8O9S2	916.4551	NA	PeJP	NA	NA
+PJ079533	LQERWW 	C44H60N12O10	916.4556	NA	PeJP	NA	NA
+PJ079534	SPVLLEEM 	C40H68N8O14S	916.4576	NA	PeJP	NA	NA
+PJ079535	PPVVLMMM 	C41H72N8O9S3	916.4585	NA	PeJP	NA	NA
+PJ079536	SNNDRRR 	C33H60N18O13	916.4588	NA	PeJP	NA	NA
+PJ079537	APKEMRW 	C41H64N12O10S	916.4589	NA	PeJP	NA	NA
+PJ079538	GGPTLMRW 	C41H64N12O10S	916.459	NA	PeJP	NA	NA
+PJ079539	VLQWWW 	C49H60N10O8	916.4596	NA	PeJP	NA	NA
+PJ079540	VQKEEER 	C37H64N12O15	916.4614	NA	PeJP	NA	NA
+PJ079541	GGLKEEER 	C37H64N12O15	916.4615	NA	PeJP	NA	NA
+PJ079542	GPPTKMMR 	C38H68N12O10S2	916.4623	NA	PeJP	NA	NA
+PJ079543	DERRRW 	C38H60N16O11	916.4628	NA	PeJP	NA	NA
+PJ079544	GPLKMWW 	C46H64N10O8S	916.463	NA	PeJP	NA	NA
+PJ079545	PTKKEEW 	C42H64N10O13	916.4655	NA	PeJP	NA	NA
+PJ079546	AQQQMRR 	C35H64N16O11S	916.4661	NA	PeJP	NA	NA
+PJ079547	SPDMRRR 	C35H64N16O11S	916.4662	NA	PeJP	NA	NA
+PJ079548	PPKKMMW 	C43H68N10O8S2	916.4663	NA	PeJP	NA	NA
+MJ097665	3,26-Dihydroxy-23-hydroxymethylfurost-20(22)-en-6-one, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H72O19	916.46678	NA	MeJP	NA	NA
+MJ097666	3-Hydroxyspirostan-12-one, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H72O19	916.46678	NA	MeJP	NA	NA
+MJ097667	3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H72O19	916.46678	NA	MeJP	NA	NA
+MJ097668	3-Hydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C45H72O19	916.46678	NA	MeJP	NA	NA
+MJ097669	Spirost-5-ene-3,15,23-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-galactopyranoside] 	C45H72O19	916.46678	NA	MeJP	NA	NA
+MJ097670	Spirost-7-ene-2,3,5-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H72O19	916.46678	NA	MeJP	NA	NA
+PJ079549	VDRRWW 	C43H60N14O9	916.4668	NA	PeJP	NA	NA
+PJ079550	TTTTLLMH 	C39H68N10O13S	916.4688	NA	PeJP	NA	NA
+PJ079551	GPVKKEEM 	C39H68N10O13S	916.4689	NA	PeJP	NA	NA
+PJ079552	PPLLEYW 	C47H64N8O11	916.4695	NA	PeJP	NA	NA
+PJ079553	APTMRRW 	C40H64N14O9S	916.4702	NA	PeJP	NA	NA
+PJ079554	ALRWWW 	C48H60N12O7	916.4708	NA	PeJP	NA	NA
+PJ079555	AKEEERR 	C36H64N14O14	916.4727	NA	PeJP	NA	NA
+PJ079556	SLLKMYY 	C44H68N8O11S	916.4728	NA	PeJP	NA	NA
+PJ079557	SPPPLLMY 	C44H68N8O11S	916.4729	NA	PeJP	NA	NA
+PJ079558	SKKMMHR 	C37H68N14O9S2	916.4735	NA	PeJP	NA	NA
+PJ079559	PVQMMRR 	C37H68N14O9S2	916.4736	NA	PeJP	NA	NA
+PJ079560	SPQHHRR 	C37H60N18O10	916.474	NA	PeJP	NA	NA
+PJ079561	ATLLLEEE 	C40H68N8O16	916.4754	NA	PeJP	NA	NA
+PJ079562	APLLLEMM 	C41H72N8O11S2	916.4762	NA	PeJP	NA	NA
+PJ079563	GLKEERW 	C41H64N12O12	916.4767	NA	PeJP	NA	NA
+PJ079564	GNQMRRR 	C34H64N18O10S	916.4774	NA	PeJP	NA	NA
+PJ079565	ALHHHFR 	C42H60N16O8	916.478	NA	PeJP	NA	NA
+PJ079566	GPKHHRW 	C42H60N16O8	916.4781	NA	PeJP	NA	NA
+PJ079567	PKKEEMR 	C38H68N12O12S	916.4801	NA	PeJP	NA	NA
+PJ079568	GVLKEWW 	C46H64N10O10	916.4807	NA	PeJP	NA	NA
+PJ079569	ACKHFRR 	C39H64N16O8S	916.4814	NA	PeJP	NA	NA
+MJ097671	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H72O16	916.482036	NA	MeJP	NA	NA
+MJ097672	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H72O16	916.482036	NA	MeJP	NA	NA
+PJ079570	ATEERRR 	C35H64N16O13	916.4839	NA	PeJP	NA	NA
+PJ079571	PVKKEMW 	C43H68N10O10S	916.4841	NA	PeJP	NA	NA
+MJ097673	Psammosilenin A 	C51H64N8O8	916.484711	NA	MeJP	NA	NA
+PJ079572	APMMRRR 	C36H68N16O8S2	916.4848	NA	PeJP	NA	NA
+PJ079573	AALKKEEE 	C39H68N10O15	916.4866	NA	PeJP	NA	NA
+PJ079574	SPPVKKMM 	C40H72N10O10S2	916.4875	NA	PeJP	NA	NA
+PJ079575	GTLERRW 	C40H64N14O11	916.4879	NA	PeJP	NA	NA
+PJ079576	GGGKKERW 	C40H64N14O11	916.488	NA	PeJP	NA	NA
+PJ079577	VVKMFFF 	C48H68N8O8S	916.4881	NA	PeJP	NA	NA
+PJ079578	GCNRRRR 	C33H64N20O9S	916.4886	NA	PeJP	NA	NA
+PJ079579	SPPVLLEY 	C44H68N8O13	916.4906	NA	PeJP	NA	NA
+PJ079580	PTKEMRR 	C37H68N14O11S	916.4913	NA	PeJP	NA	NA
+PJ079581	LKERWW 	C45H64N12O9	916.492	NA	PeJP	NA	NA
+PJ079582	GLLLLEEM 	C41H72N8O13S	916.494	NA	PeJP	NA	NA
+MJ097674	Microginin 51A 	C49H68N6O11	916.494607	NA	MeJP	NA	NA
+PJ079583	SSQQRRR 	C34H64N18O12	916.4951	NA	PeJP	NA	NA
+PJ079584	GGSTQRRR 	C34H64N18O12	916.4952	NA	PeJP	NA	NA
+PJ079585	SPLKMRW 	C42H68N12O9S	916.4953	NA	PeJP	NA	NA
+PJ079586	VLKWWW 	C50H64N10O7	916.496	NA	PeJP	NA	NA
+PJ079587	VKKEEER 	C38H68N12O14	916.4978	NA	PeJP	NA	NA
+PJ079588	GGAAKKKEE 	C38H68N12O14	916.4979	NA	PeJP	NA	NA
+PJ079589	AAPLKMMR 	C39H72N12O9S2	916.4987	NA	PeJP	NA	NA
+PJ079590	GSQKRRW 	C39H64N16O10	916.4992	NA	PeJP	NA	NA
+PJ079591	TLLQKEW 	C43H68N10O12	916.5018	NA	PeJP	NA	NA
+PJ079592	VVKKEEW 	C43H68N10O12	916.5019	NA	PeJP	NA	NA
+PJ079593	PTTMRRR 	C36H68N16O10S	916.5025	NA	PeJP	NA	NA
+PJ079594	GLEMRRR 	C36H68N16O10S	916.5026	NA	PeJP	NA	NA
+MJ097675	12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?4)-?-L-arabinopyranoside] 	C46H76O18	916.503165	NA	MeJP	NA	NA
+MJ097676	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3,6-Di-O-?-D-xylopyranoside, 25-O-?-D-glucopyranoside 	C46H76O18	916.503165	NA	MeJP	NA	NA
+MJ097677	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-xylopyranoside 	C46H76O18	916.503165	NA	MeJP	NA	NA
+MJ097678	3,20,25,30-Tetrahydroxydammar-23-en-16-one, 3-O-?-L-Arabinopyranoside, 30-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H76O18	916.503165	NA	MeJP	NA	NA
+MJ097679	Furost-25(27)-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-D-fucopyranoside], 26-O-?-D-glucopyranoside 	C46H76O18	916.503165	NA	MeJP	NA	NA
+MJ097680	Furost-5-ene-3,22,26-triol, 22-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C46H76O18	916.503165	NA	MeJP	NA	NA
+MJ097681	Furost-5-ene-3,22,26-triol, 22-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C46H76O18	916.503165	NA	MeJP	NA	NA
+PJ079595	TLRRWW 	C44H64N14O8	916.5032	NA	PeJP	NA	NA
+PJ079596	APTLKKEM 	C40H72N10O12S	916.5052	NA	PeJP	NA	NA
+MJ097682	Silenin A 	C48H68N8O10	916.50584	NA	MeJP	NA	NA
+PJ079597	PLLLEFW 	C48H68N8O10	916.5059	NA	PeJP	NA	NA
+PJ079598	GVLMRRW 	C41H68N14O8S	916.5066	NA	PeJP	NA	NA
+HMDB09924	PIP(16:0/18:1(11Z))	C43H82O16P2	916.507812	NA	HMDB2010	NA	NA
+HMDB09925	PIP(16:0/18:1(9Z))	C43H82O16P2	916.507812	NA	HMDB2010	NA	NA
+HMDB09947	PIP(18:0/16:1(9Z))	C43H82O16P2	916.507812	NA	HMDB2010	NA	NA
+HMDB09958	PIP(18:1(11Z)/16:0)	C43H82O16P2	916.507812	NA	HMDB2010	NA	NA
+HMDB09970	PIP(18:1(9Z)/16:0)	C43H82O16P2	916.507812	NA	HMDB2010	NA	NA
+PJ079599	SLKEERR 	C37H68N14O13	916.5091	NA	PeJP	NA	NA
+PJ079600	LLLLEMW 	C45H72N8O10S	916.5093	NA	PeJP	NA	NA
+PJ079601	PVKMMRR 	C38H72N14O8S2	916.5099	NA	PeJP	NA	NA
+PJ079602	SPKHHRR 	C38H64N18O9	916.5104	NA	PeJP	NA	NA
+PJ079603	STLLLLEE 	C41H72N8O15	916.5117	NA	PeJP	NA	NA
+PJ079604	STILLLEE 	C41H72N8O15	916.5118	NA	PeJP	NA	NA
+PJ079605	SPLLLLMM 	C42H76N8O10S2	916.5126	NA	PeJP	NA	NA
+PJ079606	SVLKERW 	C42H68N12O11	916.5131	NA	PeJP	NA	NA
+PJ079607	GNKMRRR 	C35H68N18O9S	916.5138	NA	PeJP	NA	NA
+PJ079608	PFRRRW 	C43H64N16O7	916.5144	NA	PeJP	NA	NA
+PJ079609	LLQKEMR 	C39H72N12O11S	916.5165	NA	PeJP	NA	NA
+PJ079610	ATLLKWW 	C47H68N10O9	916.5171	NA	PeJP	NA	NA
+PJ079611	LMRRRW 	C40H68N16O7S	916.5178	NA	PeJP	NA	NA
+PJ079612	STLERRR 	C36H68N16O12	916.5203	NA	PeJP	NA	NA
+PJ079613	VLLQKMW 	C44H72N10O9S	916.5205	NA	PeJP	NA	NA
+PJ079614	GVHHRRR 	C37H64N20O8	916.5217	NA	PeJP	NA	NA
+PJ079615	GTLLKKEE 	C40H72N10O14	916.523	NA	PeJP	NA	NA
+PJ079616	GPLLKKMM 	C41H76N10O9S2	916.5239	NA	PeJP	NA	NA
+PJ079617	SSLLRRW 	C41H68N14O10	916.5243	NA	PeJP	NA	NA
+PJ079618	GPLLLLEY 	C45H72N8O12	916.527	NA	PeJP	NA	NA
+PJ079619	VVKEMRR 	C38H72N14O10S	916.5277	NA	PeJP	NA	NA
+PJ079620	AAKKKWW 	C46H68N12O8	916.5283	NA	PeJP	NA	NA
+PJ079621	APLKFRW 	C46H68N12O8	916.5284	NA	PeJP	NA	NA
+PJ079622	SVLLLLEM 	C42H76N8O12S	916.5304	NA	PeJP	NA	NA
+PJ079623	SSQKRRR 	C35H68N18O11	916.5315	NA	PeJP	NA	NA
+PJ079624	ALLKMRW 	C43H72N12O8S	916.5317	NA	PeJP	NA	NA
+PJ079625	HHRRRR 	C36H64N22O7	916.5329	NA	PeJP	NA	NA
+PJ079626	GTTLLKER 	C39H72N12O13	916.5342	NA	PeJP	NA	NA
+PJ079627	GSKKRRW 	C40H68N16O9	916.5356	NA	PeJP	NA	NA
+PJ079628	TLLKKEW 	C44H72N10O11	916.5382	NA	PeJP	NA	NA
+PJ079629	GGGPLLLKY 	C44H72N10O11	916.5383	NA	PeJP	NA	NA
+PJ079630	SVLMRRR 	C37H72N16O9S	916.5389	NA	PeJP	NA	NA
+MJ097683	3,16,22-Hopanetriol, 3-O-?-L-Arabinopyranoside, 22-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097684	Antibiotic K 41; 15-Demethoxy 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097685	Antibiotic X 14868A 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097686	Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097687	Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucopyranoside] 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097688	Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-arabinofuranosyl-(1?6)-?-glucopyranoside] 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097689	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-xylopyranoside 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097690	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-L-arabinopyranoside 	C47H80O17	916.539551	NA	MeJP	NA	NA
+MJ097691	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C47H80O17	916.539551	NA	MeJP	NA	NA
+C17539	Chikusetsusaponin III	C47H80O17	916.5396	NA	KEGG	NA	NA
+PJ079631	GVLLKKEM 	C41H76N10O11S	916.5416	NA	PeJP	NA	NA
+PJ079632	PLLLLYW 	C49H72N8O9	916.5423	NA	PeJP	NA	NA
+PJ079633	TQKKKER 	C38H72N14O12	916.5454	NA	PeJP	NA	NA
+PJ079634	GTTTLLRR 	C38H72N14O12	916.5455	NA	PeJP	NA	NA
+PJ079635	APLLLLMF 	C46H76N8O9S	916.5456	NA	PeJP	NA	NA
+PJ079636	PPVHRRR 	C39H68N18O8	916.5468	NA	PeJP	NA	NA
+PJ079637	ALLLLLMM 	C43H80N8O9S2	916.549	NA	PeJP	NA	NA
+PJ079638	TTLLKRW 	C43H72N12O10	916.5495	NA	PeJP	NA	NA
+PJ079639	ACKKRRR 	C36H72N18O8S	916.5502	NA	PeJP	NA	NA
+PJ079640	LLKKEMR 	C40H76N12O10S	916.5529	NA	PeJP	NA	NA
+PJ079641	PVLKKFW 	C48H72N10O8	916.5535	NA	PeJP	NA	NA
+PJ079642	SDKKKRR 	C37H72N16O11	916.5567	NA	PeJP	NA	NA
+PJ079643	VLLKKMW 	C45H76N10O8S	916.5569	NA	PeJP	NA	NA
+PJ079644	SSLLLKKE 	C41H76N10O13	916.5594	NA	PeJP	NA	NA
+PJ079645	ATKKKRW 	C42H72N14O9	916.5607	NA	PeJP	NA	NA
+PJ079646	SPVLLLLY 	C46H76N8O11	916.5634	NA	PeJP	NA	NA
+PJ079647	TLLKMRR 	C39H76N14O9S	916.5641	NA	PeJP	NA	NA
+PJ079648	TTLLLLLM 	C43H80N8O11S	916.5668	NA	PeJP	NA	NA
+PJ079649	SSKKRRR 	C36H72N18O10	916.5679	NA	PeJP	NA	NA
+PJ079650	SSTLLLKR 	C40H76N12O12	916.5706	NA	PeJP	NA	NA
+PJ079651	AVLFRRR 	C41H72N16O8	916.5719	NA	PeJP	NA	NA
+PJ079652	GLLFRRR 	C41H72N16O8	916.572	NA	PeJP	NA	NA
+PJ079653	GPVLLKKY 	C45H76N10O10	916.5746	NA	PeJP	NA	NA
+PJ079654	AKKKMRR 	C38H76N16O8S	916.5753	NA	PeJP	NA	NA
+PJ079655	ATLLLKKM 	C42H80N10O10S	916.578	NA	PeJP	NA	NA
+PJ079656	LLLLLFW 	C50H76N8O8	916.5787	NA	PeJP	NA	NA
+PJ079657	TKKKKER 	C39H76N14O11	916.5818	NA	PeJP	NA	NA
+PJ079658	GGGSKKKKK 	C39H76N14O11	916.5819	NA	PeJP	NA	NA
+PJ079659	SLKKKKW 	C44H76N12O9	916.5859	NA	PeJP	NA	NA
+PJ079660	AALKKKKM 	C41H80N12O9S	916.5892	NA	PeJP	NA	NA
+PJ079661	TTKKKRR 	C38H76N16O10	916.5931	NA	PeJP	NA	NA
+PJ079662	TTTLLLKK 	C42H80N10O12	916.5958	NA	PeJP	NA	NA
+PJ079663	VVLKFRR 	C43H76N14O8	916.5971	NA	PeJP	NA	NA
+PJ079664	GLLLLLLY 	C47H80N8O10	916.5998	NA	PeJP	NA	NA
+PJ079665	VKKKKMR 	C40H80N14O8S	916.6005	NA	PeJP	NA	NA
+PJ079666	ATTLKKKK 	C41H80N12O11	916.607	NA	PeJP	NA	NA
+PJ079667	GVLLLKKF 	C46H80N10O9	916.611	NA	PeJP	NA	NA
+MJ097692	1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C49H88O15	916.612322	NA	MeJP	NA	NA
+PJ079668	LLLKKFR 	C45H80N12O8	916.6222	NA	PeJP	NA	NA
+MJ097693	Glucolipsins; Glucolipsin A 	C50H92O14	916.648707	NA	MeJP	NA	NA
+MJ097694	3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,34-hexatriacontatetraene-1,15,19,23,27,31-hexol; 10,11-Dihydro, 10,11-dihydroxy, 1-O-?-glucopyranoside 	C51H96O13	916.685093	NA	MeJP	NA	NA
+HMDB05372	TG(16:0/20:0/20:1(11Z))[iso6]	C59H112O6	916.845886	NA	HMDB2010	NA	NA
+HMDB05396	TG(18:0/18:0/20:1(11Z))[iso3]	C59H112O6	916.845886	NA	HMDB2010	NA	NA
+HMDB05402	TG(18:0/18:1(9Z)/20:0)[iso6]	C59H112O6	916.845886	NA	HMDB2010	NA	NA
+HMDB05427	TG(16:1(9Z)/20:0/20:0)[iso3]	C59H112O6	916.845886	NA	HMDB2010	NA	NA
+HMDB05372	TG(16:0/20:0/20:1(11Z))[iso6]	C59H112O6	916.84589	http://www.hmdb.ca/metabolites/HMDB05372	HMDB	NA	NA
+HMDB05396	TG(18:0/18:0/20:1(11Z))[iso3]	C59H112O6	916.84589	http://www.hmdb.ca/metabolites/HMDB05396	HMDB	NA	NA
+HMDB05402	TG(18:0/18:1(9Z)/20:0)[iso6]	C59H112O6	916.84589	http://www.hmdb.ca/metabolites/HMDB05402	HMDB	NA	NA
+HMDB05427	TG(16:1(9Z)/20:0/20:0)[iso3]	C59H112O6	916.84589	http://www.hmdb.ca/metabolites/HMDB05427	HMDB	NA	NA
+HMDB05372	TG(16:0/20:0/20:1(11Z))[iso6]	C59H112O6	916.84589	HMDB05372	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05396	TG(18:0/18:0/20:1(11Z))[iso3]	C59H112O6	916.84589	HMDB05396	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05402	TG(18:0/18:1(9Z)/20:0)[iso6]	C59H112O6	916.84589	HMDB05402	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05427	TG(16:1(9Z)/20:0/20:0)[iso3]	C59H112O6	916.84589	HMDB05427	PFEM_hmdb_metabocards_official	NA	NA
+MJ097695	12-Ursen-3-ol, Tetratriacontanoyl 	C64H116O2	916.897532	NA	MeJP	NA	NA
+3239	bombolitin I from venom of bumble bee (Megabombus	IKITTMLAKLGKVLAHV~	917.0707	MH2+	Inhouse_peptide	NA	peptide
+C12324	3,5-Dihydroxyphenylacetyl-CoA	C29H42N7O19P3S	917.1469	NA	KEGG	NA	NA
+PJ079669	GSCCCCCCH 	C29H47N11O11S6	917.1781	NA	PeJP	NA	NA
+PJ079670	GPCCCCCDD 	C30H47N9O14S5	917.1847	NA	PeJP	NA	NA
+PJ079671	CCCNDDDM 	C30H47N9O16S4	917.2024	NA	PeJP	NA	NA
+PJ079672	SPPCCCCCC 	C31H51N9O11S6	917.2033	NA	PeJP	NA	NA
+PJ079673	GSCCCCNND 	C29H47N11O15S4	917.2136	NA	PeJP	NA	NA
+PJ079674	GGGGGSCCCCD 	C29H47N11O15S4	917.2137	NA	PeJP	NA	NA
+PJ079675	GCCCCDEW 	C34H47N9O13S4	917.2177	NA	PeJP	NA	NA
+HMDB01168	2,4-Decadienoyl-CoA	C31H50N7O17P3S	917.219666	NA	HMDB2010	NA	NA
+HMDB06530	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.219666	NA	HMDB2010	NA	NA
+HMDB06540	cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.219666	NA	HMDB2010	NA	NA
+HMDB01168	2,4-Decadienoyl-CoA	C31H50N7O17P3S	917.21967	http://www.hmdb.ca/metabolites/HMDB01168	HMDB	NA	NA
+HMDB06530	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.21967	http://www.hmdb.ca/metabolites/HMDB06530	HMDB	NA	NA
+HMDB06540	cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.21967	http://www.hmdb.ca/metabolites/HMDB06540	HMDB	NA	NA
+HMDB01168	2,4-Decadienoyl-CoA	C31H50N7O17P3S	917.21967	HMDB01168	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06530	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.21967	HMDB06530	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06540	cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.21967	HMDB06540	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04309	geranoyl-coA []	C31H50N7O17P3S1	917.219673	NA	metacyc	NA	NA
+MetaCyc04310	trans-&Delta;2, cis-&Delta;4-decadienoyl-CoA []	C31H50N7O17P3S1	917.219673	NA	metacyc	NA	NA
+C01920	Geranoyl-CoA	C31H50N7O17P3S	917.2197	NA	KEGG	NA	NA
+C11945	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.2197	NA	KEGG	NA	NA
+C11946	cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA	C31H50N7O17P3S	917.2197	NA	KEGG	NA	NA
+C16465	trans-Geranyl-CoA	C31H50N7O17P3S	917.2197	NA	KEGG	NA	NA
+PJ079676	GSSCCCDDE 	C30H47N9O18S3	917.2202	NA	PeJP	NA	NA
+PJ079677	GSPCCCCDM 	C31H51N9O13S5	917.221	NA	PeJP	NA	NA
+PJ079678	CCCCNNQM 	C30H51N11O12S5	917.2323	NA	PeJP	NA	NA
+PJ079679	CCCCDWW 	C38H47N9O10S4	917.2329	NA	PeJP	NA	NA
+PJ079680	SSCCCDDW 	C34H47N9O15S3	917.2354	NA	PeJP	NA	NA
+PJ079681	PTCCCCCW 	C35H51N9O10S5	917.2363	NA	PeJP	NA	NA
+PJ079682	SSSSCCDDD 	C30H47N9O20S2	917.2379	NA	PeJP	NA	NA
+PJ079683	SCCNDDMM 	C31H51N9O15S4	917.2388	NA	PeJP	NA	NA
+PJ079684	PCCCCQMM 	C32H55N9O10S6	917.2397	NA	PeJP	NA	NA
+PJ079685	CCCCCNNR 	C29H51N13O11S5	917.2435	NA	PeJP	NA	NA
+PJ079686	SCCCCDER 	C30H51N11O14S4	917.25	NA	PeJP	NA	NA
+PJ079687	PCCCCCMR 	C31H55N11O9S6	917.2509	NA	PeJP	NA	NA
+PJ079688	GCCNDDEY 	C34H47N9O17S2	917.2532	NA	PeJP	NA	NA
+PJ079689	GSCCCEMW 	C35H51N9O12S4	917.254	NA	PeJP	NA	NA
+PJ079690	GAPCCCCDF 	C35H51N9O12S4	917.2541	NA	PeJP	NA	NA
+PJ079691	GSSSCCDEM 	C31H51N9O17S3	917.2565	NA	PeJP	NA	NA
+PJ079692	GCCNEMMM 	C32H55N9O12S5	917.2574	NA	PeJP	NA	NA
+PJ079693	SCCCNDHH 	C32H47N13O13S3	917.2579	NA	PeJP	NA	NA
+PJ079694	PCCNDDDH 	C33H47N11O16S2	917.2644	NA	PeJP	NA	NA
+PJ079695	SSSSCCCNQ 	C30H51N11O16S3	917.2678	NA	PeJP	NA	NA
+PJ079696	CCNDDYW 	C38H47N9O14S2	917.2684	NA	PeJP	NA	NA
+PJ079697	CCCCNNKM 	C31H55N11O11S5	917.2686	NA	PeJP	NA	NA
+PJ079698	GCCCDMMR 	C31H55N11O11S5	917.2687	NA	PeJP	NA	NA
+PJ079699	SCCCMWW 	C39H51N9O9S4	917.2693	NA	PeJP	NA	NA
+PJ079700	SSCNDDDY 	C34H47N9O19S	917.2709	NA	PeJP	NA	NA
+C16293	Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside	C43H49O22	917.2715	NA	KEGG	NA	NA
+FL7AAAGL0074	Pelargonidin 3-(4'''-feruloylrutinoside)-5-glucoside	C43H49O22	917.27154	202335-30-6	knapsack	NA	NA
+FL7AADGL0025	Peonanin;Peonidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside	C43H49O22	917.27154	151901-91-6	knapsack	NA	NA
+PJ079701	SSSCCDMW 	C35H51N9O14S3	917.2718	NA	PeJP	NA	NA
+PJ079702	CCNMMMW 	C36H55N9O9S5	917.2727	NA	PeJP	NA	NA
+PJ079703	SSSSSCDDM 	C31H51N9O19S2	917.2743	NA	PeJP	NA	NA
+PJ079704	SSCNDMMM 	C32H55N9O14S4	917.2752	NA	PeJP	NA	NA
+PJ079705	TCCCYYY 	C40H51N7O12S3	917.2758	NA	PeJP	NA	NA
+PJ079706	PCCCCKMM 	C33H59N9O9S6	917.276	NA	PeJP	NA	NA
+PJ079707	GCCCQMHH 	C33H51N13O10S4	917.2765	NA	PeJP	NA	NA
+PJ079708	DDDEMMY 	C36H51N7O17S2	917.2783	NA	PeJP	NA	NA
+PJ079709	GNDDDDMH 	C33H47N11O18S	917.2822	NA	PeJP	NA	NA
+PJ079710	DEMMMMM 	C34H59N7O12S5	917.2826	NA	PeJP	NA	NA
+PJ079711	GCCNNNMY 	C34H51N11O13S3	917.283	NA	PeJP	NA	NA
+PJ079712	GGGGGGGCCMY 	C34H51N11O13S3	917.2831	NA	PeJP	NA	NA
+PJ079713	GSSSSSSCCN 	C30H51N11O18S2	917.2855	NA	PeJP	NA	NA
+PJ079714	SSCCCEMR 	C31H55N11O13S4	917.2864	NA	PeJP	NA	NA
+PJ079715	GSPCCCYW 	C39H51N9O11S3	917.2871	NA	PeJP	NA	NA
+PJ079716	GCCCCHHR 	C32H51N15O9S4	917.2878	NA	PeJP	NA	NA
+PJ079717	GSCNDEMY 	C35H51N9O16S2	917.2896	NA	PeJP	NA	NA
+PJ079718	GSTCCMMW 	C36H55N9O11S4	917.2904	NA	PeJP	NA	NA
+PJ079719	DDDDEFY 	C39H47N7O19	917.2927	NA	PeJP	NA	NA
+PJ079720	GSSSSCEMM 	C32H55N9O16S3	917.2929	NA	PeJP	NA	NA
+PJ079721	SCNNNDDH 	C32H47N13O17S	917.2934	NA	PeJP	NA	NA
+PJ079722	GSCQMMMM 	C33H59N9O11S5	917.2938	NA	PeJP	NA	NA
+PJ079723	SSCCNMHH 	C33H51N13O12S3	917.2943	NA	PeJP	NA	NA
+MJ097696	Canthium schimperianum Glycoside 	C43H51NO21	917.295357	NA	MeJP	NA	NA
+PJ079724	DDEMMMF 	C37H55N7O14S3	917.297	NA	PeJP	NA	NA
+PJ079725	CNDDEHW 	C37H47N11O15S	917.2974	NA	PeJP	NA	NA
+PJ079726	SSNDDDEH 	C33H47N11O20	917.2999	NA	PeJP	NA	NA
+PJ079727	GGGGGGPDDDD 	C33H47N11O20	917.3	NA	PeJP	NA	NA
+PJ079728	GSCCDDRY 	C34H51N11O15S2	917.3008	NA	PeJP	NA	NA
+PJ079729	APCCCCRY 	C35H55N11O10S4	917.3017	NA	PeJP	NA	NA
+PJ079730	ACCCFWW 	C43H51N9O8S3	917.3023	NA	PeJP	NA	NA
+PJ079731	NNDDDYY 	C38H47N9O18	917.3039	NA	PeJP	NA	NA
+PJ079732	GGGGDDDYY 	C38H47N9O18	917.304	NA	PeJP	NA	NA
+PJ079733	SSSSCCCNK 	C31H55N11O15S3	917.3042	NA	PeJP	NA	NA
+PJ079734	SCNDMYW 	C39H51N9O13S2	917.3048	NA	PeJP	NA	NA
+PJ079735	GSCCMMMR 	C32H59N11O10S5	917.305	NA	PeJP	NA	NA
+PJ079736	CCMMHFF 	C40H55N9O8S4	917.3057	NA	PeJP	NA	NA
+PJ079737	SSSNDDMY 	C35H51N9O18S	917.3073	NA	PeJP	NA	NA
+PJ079738	SSSSCMMW 	C36H55N9O13S3	917.3082	NA	PeJP	NA	NA
+PJ079739	GCCFYYY 	C44H51N7O11S2	917.3088	NA	PeJP	NA	NA
+PJ079740	SSSSSSDMM 	C32H55N9O18S2	917.3107	NA	PeJP	NA	NA
+PJ079741	PDDDMYY 	C40H51N7O16S	917.3113	NA	PeJP	NA	NA
+PJ079742	SSSNMMMM 	C33H59N9O13S4	917.3115	NA	PeJP	NA	NA
+PJ079743	GGSSSMMMM 	C33H59N9O13S4	917.3116	NA	PeJP	NA	NA
+PJ079744	GSSSTCCHH 	C33H51N13O14S2	917.312	NA	PeJP	NA	NA
+PJ079745	GGGGGGGCEMH 	C33H51N13O14S2	917.3121	NA	PeJP	NA	NA
+PJ079746	GCDDHWW 	C41H47N11O12S	917.3127	NA	PeJP	NA	NA
+PJ079747	PPCCCCHR 	C34H55N13O9S4	917.3129	NA	PeJP	NA	NA
+PJ079748	SEEEMMY 	C37H55N7O16S2	917.3147	NA	PeJP	NA	NA
+PJ079749	GSSDDDHW 	C37H47N11O17	917.3152	NA	PeJP	NA	NA
+PJ079750	PDMMMMY 	C38H59N7O11S4	917.3156	NA	PeJP	NA	NA
+PJ079751	ASPCCDHW 	C38H51N11O12S2	917.316	NA	PeJP	NA	NA
+PJ079752	GSPCCEHW 	C38H51N11O12S2	917.3161	NA	PeJP	NA	NA
+PJ079753	GSSSSCNNY 	C34H51N11O17S	917.3185	NA	PeJP	NA	NA
+PJ079754	GGGGGSSSSCY 	C34H51N11O17S	917.3186	NA	PeJP	NA	NA
+PJ079755	CCNEMRY 	C35H55N11O12S3	917.3194	NA	PeJP	NA	NA
+PJ079756	GTCCYWW 	C43H51N9O10S2	917.3201	NA	PeJP	NA	NA
+PJ079757	GSSSCEYW 	C39H51N9O15S	917.3226	NA	PeJP	NA	NA
+PJ079758	SSTCCMMR 	C32H59N11O12S4	917.3228	NA	PeJP	NA	NA
+PJ079759	GCCNNDHR 	C32H51N15O13S2	917.3233	NA	PeJP	NA	NA
+PJ079760	GCQMMYW 	C40H55N9O10S3	917.3234	NA	PeJP	NA	NA
+PJ079761	GGGPCCMFF 	C40H55N9O10S3	917.3235	NA	PeJP	NA	NA
+PJ079762	GSSSSSDEY 	C35H51N9O20	917.3251	NA	PeJP	NA	NA
+PJ079763	GSSNEMMY 	C36H55N9O15S2	917.3259	NA	PeJP	NA	NA
+PJ079764	GSPPPCDDM 	C36H55N9O15S2	917.326	NA	PeJP	NA	NA
+PJ079765	DDEEHHH 	C36H47N13O16	917.3264	NA	PeJP	NA	NA
+PJ079766	GSCYYYY 	C44H51N7O13S	917.3266	NA	PeJP	NA	NA
+PJ079767	APCCCKMY 	C37H59N9O10S4	917.3268	NA	PeJP	NA	NA
+PJ079768	CNNNMHW 	C37H51N13O11S2	917.3273	NA	PeJP	NA	NA
+PJ079769	GEEEEYY 	C40H51N7O18	917.3291	NA	PeJP	NA	NA
+PJ079770	GSSSSTMMM 	C33H59N9O15S3	917.3293	NA	PeJP	NA	NA
+PJ079771	GSCDDEHR 	C33H51N13O16S	917.3298	NA	PeJP	NA	NA
+PJ079772	PDDMMFY 	C41H55N7O13S2	917.33	NA	PeJP	NA	NA
+PJ079773	GSCKMMMM 	C34H63N9O10S5	917.3302	NA	PeJP	NA	NA
+PJ079774	CCCDRRY 	C34H55N13O11S3	917.3306	NA	PeJP	NA	NA
+PJ079775	GPCCDMHR 	C34H55N13O11S3	917.3307	NA	PeJP	NA	NA
+PJ079776	SPCCHWW 	C42H51N11O9S2	917.3313	NA	PeJP	NA	NA
+PJ079777	VDEMMMY 	C38H59N7O13S3	917.3333	NA	PeJP	NA	NA
+PJ079778	SNDEMHW 	C38H51N11O14S	917.3338	NA	PeJP	NA	NA
+PJ079779	PMMMMMF 	C39H63N7O8S5	917.3342	NA	PeJP	NA	NA
+PJ079780	GCCMRYW 	C39H55N11O9S3	917.3347	NA	PeJP	NA	NA
+PJ079781	GPDDDDER 	C34H51N11O19	917.3363	NA	PeJP	NA	NA
+PJ079782	GSSCDMRY 	C35H55N11O14S2	917.3372	NA	PeJP	NA	NA
+PJ079783	LMMMMMM 	C36H67N7O8S6	917.3376	NA	PeJP	NA	NA
+PJ079784	GSNDDHHH 	C35H47N15O15	917.3377	NA	PeJP	NA	NA
+PJ079785	SSSCYWW 	C43H51N9O12S	917.3378	NA	PeJP	NA	NA
+PJ079786	CCQMMFR 	C36H59N11O9S4	917.338	NA	PeJP	NA	NA
+PJ079787	GACCMMFR 	C36H59N11O9S4	917.3381	NA	PeJP	NA	NA
+PJ079788	GPCCQHHH 	C36H51N15O10S2	917.3385	NA	PeJP	NA	NA
+PJ079789	SSSSSDYW 	C39H51N9O17	917.3403	NA	PeJP	NA	NA
+PJ079790	SSNMMYW 	C40H55N9O12S2	917.3412	NA	PeJP	NA	NA
+PJ079791	CCCCCKKK 	C33H63N11O9S5	917.3414	NA	PeJP	NA	NA
+PJ079792	SSSSQEMY 	C36H55N9O17S	917.3437	NA	PeJP	NA	NA
+PJ079793	EEEYYW 	C44H51N7O15	917.3443	NA	PeJP	NA	NA
+PJ079794	PDDDFFY 	C44H51N7O15	917.3444	NA	PeJP	NA	NA
+PJ079795	SQQMMMY 	C37H59N9O12S3	917.3446	NA	PeJP	NA	NA
+PJ079796	SCDDHRW 	C37H51N13O13S	917.345	NA	PeJP	NA	NA
+PJ079797	GGGGGSTCHW 	C37H51N13O13S	917.3451	NA	PeJP	NA	NA
+PJ079798	STTTTTTCC 	C33H59N9O17S2	917.347	NA	PeJP	NA	NA
+PJ079799	SSSSSTTMM 	C33H59N9O17S2	917.3471	NA	PeJP	NA	NA
+PJ079800	SSSDDDHR 	C33H51N13O18	917.3475	NA	PeJP	NA	NA
+PJ079801	GGGGGSSSSEH 	C33H51N13O18	917.3476	NA	PeJP	NA	NA
+PJ079802	SPEEMYY 	C41H55N7O15S	917.3477	NA	PeJP	NA	NA
+PJ079803	SSTCKMMM 	C34H63N9O12S4	917.3479	NA	PeJP	NA	NA
+PJ079804	NDDMMHR 	C34H55N13O13S2	917.3484	NA	PeJP	NA	NA
+PJ079805	PDMMMFF 	C42H59N7O10S3	917.3486	NA	PeJP	NA	NA
+PJ079806	GSDMHWW 	C42H51N11O11S	917.3491	NA	PeJP	NA	NA
+PJ079807	CCCMFRR 	C35H59N13O8S4	917.3493	NA	PeJP	NA	NA
+PJ079808	GSSNNNYY 	C38H51N11O16	917.3515	NA	PeJP	NA	NA
+PJ079809	PDDDDRW 	C38H51N11O16	917.3516	NA	PeJP	NA	NA
+PJ079810	VEMMMMF 	C39H63N7O10S4	917.352	NA	PeJP	NA	NA
+PJ079811	STCCRYW 	C39H55N11O11S2	917.3524	NA	PeJP	NA	NA
+PJ079812	GGGGGPPCMW 	C39H55N11O11S2	917.3525	NA	PeJP	NA	NA
+PJ079813	CNFYWW 	C47H51N9O9S	917.3531	NA	PeJP	NA	NA
+PJ079814	SSSSCERY 	C35H55N11O16S	917.3549	NA	PeJP	NA	NA
+PJ079815	GGGGGPQEEM 	C35H55N11O16S	917.355	NA	PeJP	NA	NA
+PJ079816	GPDEEWW 	C43H51N9O14	917.3556	NA	PeJP	NA	NA
+PJ079817	SCQMMRY 	C36H59N11O11S3	917.3558	NA	PeJP	NA	NA
+PJ079818	NNEMHHH 	C36H51N15O12S	917.3563	NA	PeJP	NA	NA
+PJ079819	ACNMFFW 	C44H55N9O9S2	917.3564	NA	PeJP	NA	NA
+PJ079820	GCQMFFW 	C44H55N9O9S2	917.3565	NA	PeJP	NA	NA
+PJ079821	GNNNNDDR 	C32H51N15O17	917.3588	NA	PeJP	NA	NA
+PJ079822	GSSSTMYW 	C40H55N9O14S	917.3589	NA	PeJP	NA	NA
+PJ079823	GSPPDEMW 	C40H55N9O14S	917.359	NA	PeJP	NA	NA
+PJ079824	GSCNNMHR 	C33H55N15O12S2	917.3596	NA	PeJP	NA	NA
+PJ079825	CCDEHRR 	C33H55N15O12S2	917.3597	NA	PeJP	NA	NA
+PJ079826	GCKMMYW 	C41H59N9O9S3	917.3598	NA	PeJP	NA	NA
+PJ079827	CNNHHFF 	C41H51N13O10S	917.3603	NA	PeJP	NA	NA
+PJ079828	GSSSSTTEY 	C36H55N9O19	917.3614	NA	PeJP	NA	NA
+PJ079829	GPTQEEEE 	C36H55N9O19	917.3615	NA	PeJP	NA	NA
+PJ079830	GSSDKMMY 	C37H59N9O14S2	917.3623	NA	PeJP	NA	NA
+PJ079831	SSSSNNHW 	C37H51N13O15	917.3628	NA	PeJP	NA	NA
+PJ079832	PPCEFYY 	C45H55N7O12S	917.363	NA	PeJP	NA	NA
+PJ079833	CQKMMMF 	C38H63N9O9S4	917.3632	NA	PeJP	NA	NA
+PJ079834	GCEMHRW 	C38H55N13O10S2	917.3637	NA	PeJP	NA	NA
+PJ079835	TCHWWW 	C46H51N11O8S	917.3643	NA	PeJP	NA	NA
+PJ079836	SVEEEYY 	C41H55N7O17	917.3655	NA	PeJP	NA	NA
+PJ079837	GSSDEMHR 	C34H55N13O15S	917.3662	NA	PeJP	NA	NA
+PJ079838	PVDMMYY 	C42H59N7O12S2	917.3663	NA	PeJP	NA	NA
+PJ079839	VDEMMFF 	C42H59N7O12S2	917.3664	NA	PeJP	NA	NA
+PJ079840	SSSEHWW 	C42H51N11O13	917.3668	NA	PeJP	NA	NA
+PJ079841	SCCMRRY 	C35H59N13O10S3	917.367	NA	PeJP	NA	NA
+PJ079842	CNDHHHR 	C35H51N17O11S	917.3675	NA	PeJP	NA	NA
+PJ079843	QMMHWW 	C43H55N11O8S2	917.3677	NA	PeJP	NA	NA
+PJ079844	TLEMMMY 	C39H63N7O12S3	917.3697	NA	PeJP	NA	NA
+PJ079845	STQEMHW 	C39H55N11O13S	917.3702	NA	PeJP	NA	NA
+PJ079846	PDEWWW 	C47H51N9O11	917.3708	NA	PeJP	NA	NA
+PJ079847	CLMMHHF 	C40H59N11O8S3	917.3711	NA	PeJP	NA	NA
+PJ079848	GNMHHHW 	C40H51N15O9S	917.3715	NA	PeJP	NA	NA
+PJ079849	GSPDEEER 	C35H55N11O18	917.3727	NA	PeJP	NA	NA
+PJ079850	GSSSMMRY 	C36H59N11O13S2	917.3736	NA	PeJP	NA	NA
+PJ079851	GSSQEHHH 	C36H51N15O14	917.374	NA	PeJP	NA	NA
+PJ079852	GGGGGPNEHH 	C36H51N15O14	917.3741	NA	PeJP	NA	NA
+PJ079853	SPPDMWW 	C44H55N9O11S	917.3742	NA	PeJP	NA	NA
+PJ079854	CCKMMFR 	C37H63N11O8S4	917.3744	NA	PeJP	NA	NA
+PJ079855	GPCCKHHH 	C37H55N15O9S2	917.3749	NA	PeJP	NA	NA
+PJ079856	SSSSTTYW 	C40H55N9O16	917.3767	NA	PeJP	NA	NA
+PJ079857	SSSCNQHR 	C33H55N15O14S	917.3774	NA	PeJP	NA	NA
+PJ079858	STCKMYW 	C41H59N9O11S2	917.3776	NA	PeJP	NA	NA
+PJ079859	GNNNQWW 	C41H51N13O12	917.378	NA	PeJP	NA	NA
+PJ079860	GGGNNQWW 	C41H51N13O12	917.3781	NA	PeJP	NA	NA
+PJ079861	CMHRWW 	C42H55N13O7S2	917.3789	NA	PeJP	NA	NA
+PJ079862	SSSSKEMY 	C37H59N9O16S	917.3801	NA	PeJP	NA	NA
+PJ079863	SPPEYYY 	C45H55N7O14	917.3807	NA	PeJP	NA	NA
+PJ079864	SQKMMMY 	C38H63N9O11S3	917.3809	NA	PeJP	NA	NA
+PJ079865	GGTKMMMY 	C38H63N9O11S3	917.381	NA	PeJP	NA	NA
+PJ079866	SSDMHRW 	C38H55N13O12S	917.3814	NA	PeJP	NA	NA
+PJ079867	GGGGGGAAMHF 	C38H55N13O12S	917.3815	NA	PeJP	NA	NA
+PJ079868	NEHFWW 	C46H51N11O10	917.3821	NA	PeJP	NA	NA
+PJ079869	SSSSEEHR 	C34H55N13O17	917.3839	NA	PeJP	NA	NA
+PJ079870	GGGGGAEEER 	C34H55N13O17	917.384	NA	PeJP	NA	NA
+PJ079871	ALEEMYY 	C42H59N7O14S	917.3841	NA	PeJP	NA	NA
+PJ079872	SQEMMHR 	C35H59N13O12S2	917.3848	NA	PeJP	NA	NA
+PJ079873	PVMMMFY 	C43H63N7O9S3	917.385	NA	PeJP	NA	NA
+PJ079874	GTTMHWW 	C43H55N11O10S	917.3854	NA	PeJP	NA	NA
+PJ079875	GGGPQMWW 	C43H55N11O10S	917.3855	NA	PeJP	NA	NA
+PJ079876	SPDEERW 	C39H55N11O15	917.3879	NA	PeJP	NA	NA
+PJ079877	PTDDERW 	C39H55N11O15	917.388	NA	PeJP	NA	NA
+PJ079878	VLMMMMY 	C40H67N7O9S4	917.3883	NA	PeJP	NA	NA
+PJ079879	PPCEMRW 	C40H59N11O10S2	917.3888	NA	PeJP	NA	NA
+PJ079880	SSQHHHW 	C40H51N15O11	917.3893	NA	PeJP	NA	NA
+PJ079881	ACHFFFF 	C48H55N9O8S	917.3895	NA	PeJP	NA	NA
+PJ079882	SSSSTMRY 	C36H59N11O15S	917.3913	NA	PeJP	NA	NA
+PJ079883	APTEEWW 	C44H55N9O13	917.392	NA	PeJP	NA	NA
+PJ079884	SCKMMRY 	C37H63N11O10S3	917.3922	NA	PeJP	NA	NA
+PJ079885	CNNQHFR 	C37H55N15O11S	917.3926	NA	PeJP	NA	NA
+PJ079886	GGCNQHFR 	C37H55N15O11S	917.3927	NA	PeJP	NA	NA
+PJ079887	APPMMWW 	C45H59N9O8S2	917.3928	NA	PeJP	NA	NA
+PJ079888	SNNNNNNK 	C33H55N15O16	917.3951	NA	PeJP	NA	NA
+PJ079889	NNDDERR 	C33H55N15O16	917.3952	NA	PeJP	NA	NA
+PJ079890	PVQEEMW 	C41H59N9O13S	917.3953	NA	PeJP	NA	NA
+PJ079891	GGPLEEMW 	C41H59N9O13S	917.3954	NA	PeJP	NA	NA
+PJ079892	SCEMHRR 	C34H59N15O11S2	917.396	NA	PeJP	NA	NA
+PJ079893	GPCNRWW 	C42H55N13O9S	917.3967	NA	PeJP	NA	NA
+PJ079894	GHFWWW 	C50H51N11O7	917.3973	NA	PeJP	NA	NA
+PJ079895	SSSSSSTLY 	C37H59N9O18	917.3978	NA	PeJP	NA	NA
+PJ079896	GPTKEEEE 	C37H59N9O18	917.3979	NA	PeJP	NA	NA
+PJ079897	GSTTKMMY 	C38H63N9O13S2	917.3987	NA	PeJP	NA	NA
+PJ079898	GNQEERW 	C38H55N13O14	917.3992	NA	PeJP	NA	NA
+PJ079899	PPCLYYY 	C46H59N7O11S	917.3994	NA	PeJP	NA	NA
+PJ079900	CKKMMMF 	C39H67N9O8S4	917.3996	NA	PeJP	NA	NA
+PJ079901	ASMMHRW 	C39H59N13O9S2	917.4	NA	PeJP	NA	NA
+PJ079902	GTMMHRW 	C39H59N13O9S2	917.4001	NA	PeJP	NA	NA
+PJ079903	VDHHHHH 	C39H51N17O10	917.4005	NA	PeJP	NA	NA
+PJ079904	TTLEEYY 	C42H59N7O16	917.4019	NA	PeJP	NA	NA
+PJ079905	ASSTEMHR 	C35H59N13O14S	917.4025	NA	PeJP	NA	NA
+PJ079906	PDDEMRR 	C35H59N13O14S	917.4026	NA	PeJP	NA	NA
+PJ079907	PTLMMYY 	C43H63N7O11S2	917.4027	NA	PeJP	NA	NA
+PJ079908	STTTHWW 	C43H55N11O12	917.4032	NA	PeJP	NA	NA
+PJ079909	VNMMMHR 	C36H63N13O9S3	917.4034	NA	PeJP	NA	NA
+PJ079910	SNMHHHR 	C36H55N17O10S	917.4039	NA	PeJP	NA	NA
+PJ079911	KMMHWW 	C44H59N11O7S2	917.4041	NA	PeJP	NA	NA
+PJ079912	GHHHHFF 	C44H51N15O8	917.4046	NA	PeJP	NA	NA
+PJ079913	APEEMRW 	C40H59N11O12S	917.4066	NA	PeJP	NA	NA
+PJ079914	GPPEFWW 	C48H55N9O10	917.4072	NA	PeJP	NA	NA
+PJ079915	ACKHHHW 	C41H55N15O8S	917.4079	NA	PeJP	NA	NA
+PJ079916	VQEEEER 	C36H59N11O17	917.4091	NA	PeJP	NA	NA
+PJ079917	ASPPEMMR 	C37H63N11O12S2	917.4099	NA	PeJP	NA	NA
+PJ079918	GPPTEMMR 	C37H63N11O12S2	917.41	NA	PeJP	NA	NA
+PJ079919	GNDDRRW 	C37H55N15O13	917.4104	NA	PeJP	NA	NA
+PJ079920	GPLEMWW 	C45H59N9O10S	917.4106	NA	PeJP	NA	NA
+PJ079921	PCCHFRR 	C38H59N15O8S2	917.4113	NA	PeJP	NA	NA
+PJ079922	PTKEEEW 	C41H59N9O15	917.4131	NA	PeJP	NA	NA
+PJ079923	GSPCNERR 	C34H59N15O13S	917.4138	NA	PeJP	NA	NA
+PJ079924	PPKEMMW 	C42H63N9O10S2	917.414	NA	PeJP	NA	NA
+PJ079925	NQERWW 	C42H55N13O11	917.4144	NA	PeJP	NA	NA
+PJ079926	GGGAERWW 	C42H55N13O11	917.4145	NA	PeJP	NA	NA
+PJ079927	GMMMHRR 	C35H63N15O8S3	917.4147	NA	PeJP	NA	NA
+PJ079928	SSTTTKMY 	C38H63N9O15S	917.4165	NA	PeJP	NA	NA
+PJ079929	APLEYYY 	C46H59N7O13	917.4171	NA	PeJP	NA	NA
+PJ079930	SKKMMMY 	C39H67N9O10S3	917.4173	NA	PeJP	NA	NA
+PJ079931	GAAPPLMMM 	C39H67N9O10S3	917.4174	NA	PeJP	NA	NA
+PJ079932	STTMHRW 	C39H59N13O11S	917.4178	NA	PeJP	NA	NA
+PJ079933	PVMMFFF 	C47H63N7O8S2	917.418	NA	PeJP	NA	NA
+PJ079934	VNQWWW 	C47H55N11O9	917.4185	NA	PeJP	NA	NA
+PJ079935	AEEEERR 	C35H59N13O16	917.4203	NA	PeJP	NA	NA
+PJ079936	SLLEMYY 	C43H63N7O13S	917.4205	NA	PeJP	NA	NA
+PJ079937	SKEMMHR 	C36H63N13O11S2	917.4212	NA	PeJP	NA	NA
+PJ079938	VLMMMFF 	C44H67N7O8S3	917.4214	NA	PeJP	NA	NA
+PJ079939	ASSSHHHR 	C36H55N17O12	917.4216	NA	PeJP	NA	NA
+PJ079940	GSSTHHHR 	C36H55N17O12	917.4217	NA	PeJP	NA	NA
+PJ079941	GPNKMWW 	C44H59N11O9S	917.4218	NA	PeJP	NA	NA
+PJ079942	PPFWWW 	C52H55N9O7	917.4225	NA	PeJP	NA	NA
+PJ079943	GLEEERW 	C40H59N11O14	917.4243	NA	PeJP	NA	NA
+PJ079944	GGGGGSVLEW 	C40H59N11O14	917.4244	NA	PeJP	NA	NA
+PJ079945	NNNNMRR 	C33H59N17O12S	917.425	NA	PeJP	NA	NA
+PJ079946	GGGGGGGGMRR 	C33H59N17O12S	917.4251	NA	PeJP	NA	NA
+PJ079947	PPTMMRW 	C41H63N11O9S2	917.4252	NA	PeJP	NA	NA
+PJ079948	GPEHHRW 	C41H55N15O10	917.4257	NA	PeJP	NA	NA
+PJ079949	PLMWWW 	C49H59N9O7S	917.4259	NA	PeJP	NA	NA
+PJ079950	PKEEEMR 	C37H63N11O14S	917.4277	NA	PeJP	NA	NA
+PJ079951	GTTKYYW 	C45H59N9O12	917.4283	NA	PeJP	NA	NA
+PJ079952	GVLEEWW 	C45H59N9O12	917.4284	NA	PeJP	NA	NA
+PJ079953	GPPVMMMR 	C38H67N11O9S3	917.4286	NA	PeJP	NA	NA
+PJ079954	SPCNRRW 	C38H59N15O10S	917.429	NA	PeJP	NA	NA
+PJ079955	GGSPCRRW 	C38H59N15O10S	917.4291	NA	PeJP	NA	NA
+PJ079956	GQRWWW 	C46H55N13O8	917.4297	NA	PeJP	NA	NA
+PJ079957	SNQEERR 	C34H59N15O15	917.4315	NA	PeJP	NA	NA
+PJ079958	GGSQEERR 	C34H59N15O15	917.4316	NA	PeJP	NA	NA
+PJ079959	PVKEEMW 	C42H63N9O12S	917.4317	NA	PeJP	NA	NA
+PJ079960	PPTFFFY 	C50H59N7O10	917.4324	NA	PeJP	NA	NA
+PJ079961	AAMHFRW 	C43H59N13O8S	917.4331	NA	PeJP	NA	NA
+PJ079962	AALKEEEE 	C38H63N9O17	917.4342	NA	PeJP	NA	NA
+PJ079963	SPPVKEMM 	C39H67N9O12S2	917.4351	NA	PeJP	NA	NA
+PJ079964	GNKEERW 	C39H59N13O13	917.4356	NA	PeJP	NA	NA
+PJ079965	PVVMFYY 	C47H63N7O10S	917.4357	NA	PeJP	NA	NA
+PJ079966	CLLEFFF 	C47H63N7O10S	917.4358	NA	PeJP	NA	NA
+PJ079967	PCKMHFR 	C40H63N13O8S2	917.4364	NA	PeJP	NA	NA
+PJ079968	GQHHHFR 	C40H55N17O9	917.4369	NA	PeJP	NA	NA
+PJ079969	PTEEMRR 	C36H63N13O13S	917.4389	NA	PeJP	NA	NA
+PJ079970	AAAAAQEMR 	C36H63N13O13S	917.439	NA	PeJP	NA	NA
+PJ079971	VVLMMYY 	C44H67N7O10S2	917.4391	NA	PeJP	NA	NA
+PJ079972	LEERWW 	C44H59N11O11	917.4396	NA	PeJP	NA	NA
+PJ079973	PPMMMRR 	C37H67N13O8S3	917.4398	NA	PeJP	NA	NA
+PJ079974	TCKHHHR 	C37H59N17O9S	917.4403	NA	PeJP	NA	NA
+PJ079975	PHHRWW 	C45H55N15O7	917.4409	NA	PeJP	NA	NA
+PJ079976	SNDDRRR 	C33H59N17O14	917.4428	NA	PeJP	NA	NA
+PJ079977	VVQQQMW 	C41H63N11O11S	917.4429	NA	PeJP	NA	NA
+PJ079978	SPLEMRW 	C41H63N11O11S	917.443	NA	PeJP	NA	NA
+PJ079979	VLEWWW 	C49H59N9O9	917.4436	NA	PeJP	NA	NA
+PJ079980	PCCQRRR 	C34H63N17O9S2	917.4437	NA	PeJP	NA	NA
+2802	PEP inhibitor	QPPPAPGPGT	917.444	NA	Inhouse_peptide	NA	peptide
+PJ079981	ASSTTTTLH 	C37H63N11O16	917.4454	NA	PeJP	NA	NA
+PJ079982	VKEEEER 	C37H63N11O16	917.4455	NA	PeJP	NA	NA
+PJ079983	AAPLEMMR 	C38H67N11O11S2	917.4463	NA	PeJP	NA	NA
+PJ079984	GGGGAPLKMM 	C38H67N11O11S2	917.4464	NA	PeJP	NA	NA
+PJ079985	GSQERRW 	C38H59N15O12	917.4468	NA	PeJP	NA	NA
+PJ079986	SPVLMWW 	C46H63N9O9S	917.447	NA	PeJP	NA	NA
+PJ079987	VVKEEEW 	C42H63N9O14	917.4495	NA	PeJP	NA	NA
+PJ079988	AQQEMRR 	C35H63N15O12S	917.4502	NA	PeJP	NA	NA
+PJ079989	AKKMMFY 	C43H67N9O9S2	917.4503	NA	PeJP	NA	NA
+PJ079990	PLLQMMW 	C43H67N9O9S2	917.4504	NA	PeJP	NA	NA
+PJ079991	NKERWW 	C43H59N13O10	917.4508	NA	PeJP	NA	NA
+PJ079992	SPTLLQEM 	C39H67N9O14S	917.4528	NA	PeJP	NA	NA
+PJ079993	APTLKEEM 	C39H67N9O14S	917.4529	NA	PeJP	NA	NA
+PJ079994	SPLLYYY 	C47H63N7O12	917.4535	NA	PeJP	NA	NA
+PJ079995	APPLKMMM 	C40H71N9O9S3	917.4537	NA	PeJP	NA	NA
+PJ079996	SPNKMRW 	C40H63N13O10S	917.4542	NA	PeJP	NA	NA
+PJ079997	VNKWWW 	C48H59N11O8	917.4548	NA	PeJP	NA	NA
+PJ079998	GGVKWWW 	C48H59N11O8	917.4549	NA	PeJP	NA	NA
+PJ079999	SLEEERR 	C36H63N13O15	917.4567	NA	PeJP	NA	NA
+PJ080000	PVEMMRR 	C37H67N13O10S2	917.4576	NA	PeJP	NA	NA
+PJ080001	SPEHHRR 	C37H59N17O11	917.458	NA	PeJP	NA	NA
+PJ080002	GGGGLQHHR 	C37H59N17O11	917.4581	NA	PeJP	NA	NA
+PJ080003	APCKKWW 	C45H63N11O8S	917.4582	NA	PeJP	NA	NA
+PJ080004	SVLEERW 	C41H63N11O13	917.4607	NA	PeJP	NA	NA
+PJ080005	GNEMRRR 	C34H63N17O11S	917.4614	NA	PeJP	NA	NA
+PJ080006	PVVMMRW 	C42H67N11O8S2	917.4616	NA	PeJP	NA	NA
+PJ080007	SQRRWW 	C42H59N15O9	917.4621	NA	PeJP	NA	NA
+PJ080008	LLQEEMR 	C38H67N11O13S	917.4641	NA	PeJP	NA	NA
+PJ080009	ATLLEWW 	C46H63N9O11	917.4647	NA	PeJP	NA	NA
+PJ080010	GGPLLEFW 	C46H63N9O11	917.4648	NA	PeJP	NA	NA
+PJ080011	LKKMMMH 	C39H71N11O8S3	917.465	NA	PeJP	NA	NA
+PJ080012	AAQMRRW 	C39H63N15O9S	917.4654	NA	PeJP	NA	NA
+PJ080013	GKRWWW 	C47H59N13O7	917.4661	NA	PeJP	NA	NA
+PJ080014	SNKEERR 	C35H63N15O14	917.4679	NA	PeJP	NA	NA
+PJ080015	GGGGGSDKKR 	C35H63N15O14	917.468	NA	PeJP	NA	NA
+PJ080016	VLLQEMW 	C43H67N9O11S	917.4681	NA	PeJP	NA	NA
+PJ080017	PVVFFFY 	C51H63N7O9	917.4688	NA	PeJP	NA	NA
+PJ080018	GQQHHRR 	C36H59N19O10	917.4693	NA	PeJP	NA	NA
+PJ080019	GTLLKEEE 	C39H67N9O16	917.4706	NA	PeJP	NA	NA
+PJ080020	GPLLKEMM 	C40H71N9O11S2	917.4715	NA	PeJP	NA	NA
+PJ080021	ATQKERW 	C40H63N13O12	917.4719	NA	PeJP	NA	NA
+PJ080022	GDKKERW 	C40H63N13O12	917.472	NA	PeJP	NA	NA
+PJ080023	VVLMFFY 	C48H67N7O9S	917.4721	NA	PeJP	NA	NA
+PJ080024	GCDRRRR 	C33H63N19O10S	917.4727	NA	PeJP	NA	NA
+PJ080025	GKHHHFR 	C41H59N17O8	917.4733	NA	PeJP	NA	NA
+PJ080026	VVEEMRR 	C37H67N13O12S	917.4753	NA	PeJP	NA	NA
+PJ080027	GGGGGGGLKKM 	C37H67N13O12S	917.4754	NA	PeJP	NA	NA
+PJ080028	AAKKEWW 	C45H63N11O10	917.476	NA	PeJP	NA	NA
+PJ080029	NMRRRW 	C38H63N17O8S	917.4767	NA	PeJP	NA	NA
+MJ097697	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3-Pyridinecarbonyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H71NO16	917.477285	NA	MeJP	NA	NA
+PJ080030	SSQERRR 	C34H63N17O13	917.4792	NA	PeJP	NA	NA
+PJ080031	ALLEMRW 	C42H67N11O10S	917.4793	NA	PeJP	NA	NA
+PJ080032	CLLLDRW 	C42H67N11O10S	917.4794	NA	PeJP	NA	NA
+PJ080033	GPLLFWW 	C50H63N9O8	917.48	NA	PeJP	NA	NA
+PJ080034	ASTLLEER 	C38H67N11O15	917.4818	NA	PeJP	NA	NA
+PJ080035	GTTLLEER 	C38H67N11O15	917.4819	NA	PeJP	NA	NA
+PJ080036	GPTLLMMR 	C39H71N11O10S2	917.4827	NA	PeJP	NA	NA
+PJ080037	GSKERRW 	C39H63N15O11	917.4832	NA	PeJP	NA	NA
+PJ080038	GLLLMWW 	C47H67N9O8S	917.4834	NA	PeJP	NA	NA
+PJ080039	TLLKEEW 	C43H67N9O13	917.4859	NA	PeJP	NA	NA
+PJ080040	SLQQMRR 	C36H67N15O11S	917.4865	NA	PeJP	NA	NA
+PJ080041	AQKEMRR 	C36H67N15O11S	917.4866	NA	PeJP	NA	NA
+PJ080042	PLLKMMW 	C44H71N9O8S2	917.4867	NA	PeJP	NA	NA
+PJ080043	DKKRWW 	C44H63N13O9	917.4872	NA	PeJP	NA	NA
+PJ080044	VVVVDKEM 	C40H71N9O13S	917.4892	NA	PeJP	NA	NA
+PJ080045	GVLLKEEM 	C40H71N9O13S	917.4893	NA	PeJP	NA	NA
+PJ080046	ALLLYYY 	C48H67N7O11	917.4899	NA	PeJP	NA	NA
+PJ080047	GLQKMRW 	C41H67N13O9S	917.4906	NA	PeJP	NA	NA
+PJ080048	TQKKEER 	C37H67N13O14	917.4931	NA	PeJP	NA	NA
+PJ080049	PQKKMMR 	C38H71N13O9S2	917.494	NA	PeJP	NA	NA
+PJ080050	GSTRRRW 	C38H63N17O10	917.4944	NA	PeJP	NA	NA
+PJ080051	TTLLERW 	C42H67N11O12	917.4971	NA	PeJP	NA	NA
+PJ080052	GDKMRRR 	C35H67N17O10S	917.4978	NA	PeJP	NA	NA
+PJ080053	SKRRWW 	C43H63N15O8	917.4984	NA	PeJP	NA	NA
+PJ080054	GLLHHRW 	C43H63N15O8	917.4985	NA	PeJP	NA	NA
+PJ080055	LLKEEMR 	C39H71N11O12S	917.5005	NA	PeJP	NA	NA
+PJ080056	STLLLWW 	C47H67N9O10	917.5011	NA	PeJP	NA	NA
+PJ080057	AAKMRRW 	C40H67N15O8S	917.5018	NA	PeJP	NA	NA
+PJ080058	SDKKERR 	C36H67N15O13	917.5043	NA	PeJP	NA	NA
+PJ080059	VLLKEMW 	C44H71N9O10S	917.5045	NA	PeJP	NA	NA
+PJ080060	PCKKMRR 	C37H71N15O8S2	917.5052	NA	PeJP	NA	NA
+PJ080061	GQKHHRR 	C37H63N19O9	917.5057	NA	PeJP	NA	NA
+PJ080062	SSLLLKEE 	C40H71N9O15	917.507	NA	PeJP	NA	NA
+PJ080063	SPVLLKMM 	C41H75N9O10S2	917.5079	NA	PeJP	NA	NA
+PJ080064	ATKKERW 	C41H67N13O11	917.5083	NA	PeJP	NA	NA
+PJ080065	GGGGTKKKW 	C41H67N13O11	917.5084	NA	PeJP	NA	NA
+PJ080066	GSMRRRR 	C34H67N19O9S	917.509	NA	PeJP	NA	NA
+PJ080067	HFFRRR 	C42H63N17O7	917.5097	NA	PeJP	NA	NA
+PJ080068	TLLEMRR 	C38H71N13O11S	917.5117	NA	PeJP	NA	NA
+PJ080069	GTLKKWW 	C46H67N11O9	917.5124	NA	PeJP	NA	NA
+PJ080070	TTTQRRR 	C35H67N17O12	917.5155	NA	PeJP	NA	NA
+PJ080071	SSKERRR 	C35H67N17O12	917.5156	NA	PeJP	NA	NA
+PJ080072	SLLLMRW 	C43H71N11O9S	917.5157	NA	PeJP	NA	NA
+PJ080073	SSTLLLER 	C39H71N11O14	917.5182	NA	PeJP	NA	NA
+PJ080074	AALLLMMR 	C40H75N11O9S2	917.5191	NA	PeJP	NA	NA
+PJ080075	ATTKRRW 	C40H67N15O10	917.5196	NA	PeJP	NA	NA
+PJ080076	ATTTLLLW 	C44H71N9O12	917.5222	NA	PeJP	NA	NA
+PJ080077	SSSLLLLW 	C44H71N9O12	917.5223	NA	PeJP	NA	NA
+PJ080078	SLQKMRR 	C37H71N15O10S	917.5229	NA	PeJP	NA	NA
+PJ080079	AKKEMRR 	C37H71N15O10S	917.523	NA	PeJP	NA	NA
+PJ080080	GPKKFRW 	C45H67N13O8	917.5236	NA	PeJP	NA	NA
+PJ080081	ATLLLKEM 	C41H75N9O12S	917.5256	NA	PeJP	NA	NA
+PJ080082	SSTRRRR 	C34H67N19O11	917.5268	NA	PeJP	NA	NA
+PJ080083	GLKKMRW 	C42H71N13O8S	917.527	NA	PeJP	NA	NA
+PJ080084	TKKKEER 	C38H71N13O13	917.5295	NA	PeJP	NA	NA
+PJ080085	VLLMMRR 	C39H75N13O8S2	917.5303	NA	PeJP	NA	NA
+PJ080086	GVQFRRR 	C39H67N17O9	917.5308	NA	PeJP	NA	NA
+PJ080087	SLKKKEW 	C43H71N11O11	917.5335	NA	PeJP	NA	NA
+PJ080088	ATKMRRR 	C36H71N17O9S	917.5342	NA	PeJP	NA	NA
+MJ097698	Angolamycin; 20-Alcohol 	C46H79NO17	917.5348	NA	MeJP	NA	NA
+MJ097699	Tylosin; 20-Alcohol 	C46H79NO17	917.5348	NA	MeJP	NA	NA
+PJ080089	ATTLLLMR 	C40H75N11O11S	917.5369	NA	PeJP	NA	NA
+PJ080090	PVLLKYW 	C48H71N9O9	917.5375	NA	PeJP	NA	NA
+PJ080091	TTKKERR 	C37H71N15O12	917.5407	NA	PeJP	NA	NA
+PJ080092	GPLLLKMF 	C45H75N9O9S	917.5409	NA	PeJP	NA	NA
+PJ080093	QFRRRR 	C38H67N19O8	917.542	NA	PeJP	NA	NA
+PJ080094	GAFRRRR 	C38H67N19O8	917.5421	NA	PeJP	NA	NA
+PJ080095	TTTLLLKE 	C41H75N9O14	917.5434	NA	PeJP	NA	NA
+PJ080096	GLLLLKMM 	C42H79N9O9S2	917.5443	NA	PeJP	NA	NA
+PJ080097	STLKKRW 	C42H71N13O10	917.5447	NA	PeJP	NA	NA
+PJ080098	VKKKEMR 	C39H75N13O10S	917.5481	NA	PeJP	NA	NA
+PJ080099	ALLLFRW 	C47H71N11O8	917.5487	NA	PeJP	NA	NA
+PJ080100	VVVLFRW 	C47H71N11O8	917.5488	NA	PeJP	NA	NA
+PJ080101	TTTKRRR 	C36H71N17O11	917.5519	NA	PeJP	NA	NA
+PJ080102	VVKKKMW 	C44H75N11O8S	917.5521	NA	PeJP	NA	NA
+PJ080103	TTTTLLLR 	C40H75N11O13	917.5546	NA	PeJP	NA	NA
+PJ080104	APKKRRY 	C41H71N15O9	917.556	NA	PeJP	NA	NA
+PJ080105	APTLLLKY 	C45H75N9O11	917.5586	NA	PeJP	NA	NA
+PJ080106	GGGLLLLLY 	C45H75N9O11	917.5587	NA	PeJP	NA	NA
+PJ080107	SLKKMRR 	C38H75N15O9S	917.5593	NA	PeJP	NA	NA
+PJ080108	STLLLLKM 	C42H79N9O11S	917.562	NA	PeJP	NA	NA
+PJ080109	ATTTLKKR 	C39H75N13O12	917.5658	NA	PeJP	NA	NA
+PJ080110	SSSLLKKR 	C39H75N13O12	917.5659	NA	PeJP	NA	NA
+PJ080111	GVKFRRR 	C40H71N17O8	917.5672	NA	PeJP	NA	NA
+PJ080112	LLLLQRY 	C44H75N11O10	917.5699	NA	PeJP	NA	NA
+PJ080113	GTLLKKKM 	C41H79N11O10S	917.5733	NA	PeJP	NA	NA
+PJ080114	VLLLKFW 	C49H75N9O8	917.5739	NA	PeJP	NA	NA
+PJ080115	GSSKKKKR 	C38H75N15O11	917.5771	NA	PeJP	NA	NA
+PJ080116	KFRRRR 	C39H71N19O7	917.5784	NA	PeJP	NA	NA
+PJ080117	VVLLRRY 	C43H75N13O9	917.5811	NA	PeJP	NA	NA
+PJ080118	QKKKKKM 	C40H79N13O9S	917.5845	NA	PeJP	NA	NA
+PJ080119	STTLLKKK 	C41H79N11O12	917.591	NA	PeJP	NA	NA
+PJ080120	ALKKFRR 	C42H75N15O8	917.5923	NA	PeJP	NA	NA
+PJ080121	GVLLLLKY 	C46H79N9O10	917.595	NA	PeJP	NA	NA
+PJ080122	CKKKKKR 	C39H79N15O8S	917.5957	NA	PeJP	NA	NA
+PJ080123	GTTKKKKK 	C40H79N13O11	917.6022	NA	PeJP	NA	NA
+PJ080124	LLLLKRY 	C45H79N11O9	917.6063	NA	PeJP	NA	NA
+PJ080125	VLKKKFR 	C44H79N13O8	917.6175	NA	PeJP	NA	NA
+PJ080126	KKKKKKM 	C41H83N13O8S	917.6209	NA	PeJP	NA	NA
+HMDB12319	3-O-Sulfogalactosylceramide (d18:1/26:1(17Z))	C50H95NO11S	917.662598	NA	HMDB2010	NA	NA
+HMDB04835	Galabiosylceramide (d18:1/20:0)	C50H95NO13	917.680359	NA	HMDB2010	NA	NA
+HMDB11593	Lactosylcermide (d18:1/20:0)	C50H95NO13	917.680359	NA	HMDB2010	NA	NA
+HMDB04835	Galabiosylceramide (d18:1/20:0)	C50H95NO13	917.68036	http://www.hmdb.ca/metabolites/HMDB04835	HMDB	NA	NA
+HMDB04870	Lactosylceramide (d18:1/20:0)	C50H95NO13	917.68036	http://www.hmdb.ca/metabolites/HMDB04870	HMDB	NA	NA
+HMDB04835	Galabiosylceramide (d18:1/20:0)	C50H95NO13	917.68036	HMDB04835	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04870	Lactosylceramide (d18:1/20:0)	C50H95NO13	917.68036	HMDB04870	PFEM_hmdb_metabocards_official	NA	NA
+HMDB08684	PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))	C54H96NO8P	917.687378	NA	HMDB2010	NA	NA
+HMDB08717	PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	C54H96NO8P	917.687378	NA	HMDB2010	NA	NA
+HMDB08749	PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)	C54H96NO8P	917.687378	NA	HMDB2010	NA	NA
+HMDB08781	PC(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C54H96NO8P	917.687378	NA	HMDB2010	NA	NA
+HMDB08812	PC(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))	C54H96NO8P	917.687378	NA	HMDB2010	NA	NA
+HMDB08813	PC(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))	C54H96NO8P	917.687378	NA	HMDB2010	NA	NA
+2853	NA	YGGFLGARKSARKLANQ	917.9979	MH2+	Inhouse_peptide	NA	peptide
+2930	NA	YGGFLGARKSARKLANQ	917.9979	MH2+	Inhouse_peptide	NA	peptide
+MJ097700	Mallotusinin 	C41H26O25	918.076316	NA	MeJP	NA	NA
+MJ097701	Heptafuhalol A 	C42H30O24	918.112701	NA	MeJP	NA	NA
+MJ097702	Pseudoheptafuhalol A 	C42H30O24	918.112701	NA	MeJP	NA	NA
+MJ097703	Pseudoheptafuhalol B 	C42H30O24	918.112701	NA	MeJP	NA	NA
+MJ097704	Pseudoheptafuhalol C 	C42H30O24	918.112701	NA	MeJP	NA	NA
+MJ097705	Pseudoheptafuhalol D 	C42H30O24	918.112701	NA	MeJP	NA	NA
+MJ097706	Trihydroxyheptaphlorethol A 	C42H30O24	918.112701	NA	MeJP	NA	NA
+PJ080127	CCCDDDDM 	C30H46N8O17S4	918.1864	NA	PeJP	NA	NA
+PJ080128	GSCCCCNDD 	C29H46N10O16S4	918.1977	NA	PeJP	NA	NA
+PJ080129	GPCCCCCCQ 	C30H50N10O11S6	918.1985	NA	PeJP	NA	NA
+PJ080130	CCCCNNEM 	C30H50N10O13S5	918.2163	NA	PeJP	NA	NA
+PJ080131	SCCDDDMM 	C31H50N8O16S4	918.2228	NA	PeJP	NA	NA
+PJ080132	PCCCCEMM 	C32H54N8O11S6	918.2237	NA	PeJP	NA	NA
+MJ097707	Siroheme 	C42H46FeN4O16	918.225823	NA	MeJP	NA	NA
+PJ080133	CCCCCNDR 	C29H50N12O12S5	918.2275	NA	PeJP	NA	NA
+PJ080134	GCCCCNMW 	C34H50N10O10S5	918.2315	NA	PeJP	NA	NA
+PJ080135	GSSCCCNDM 	C30H50N10O15S4	918.234	NA	PeJP	NA	NA
+PJ080136	GPCCCCCCK 	C31H54N10O10S6	918.2349	NA	PeJP	NA	NA
+PJ080137	GCCDDDEY 	C34H46N8O18S2	918.2372	NA	PeJP	NA	NA
+PJ080138	PCCCCDEF 	C35H50N8O13S4	918.2381	NA	PeJP	NA	NA
+PJ080139	GCCDEMMM 	C32H54N8O13S5	918.2414	NA	PeJP	NA	NA
+PJ080140	SCCCDDHH 	C32H46N12O14S3	918.2419	NA	PeJP	NA	NA
+FL5FAAGL0093	Kaempferol 3-(2'''-(E)-p-coumarylsophoroside)-7-glucoside	C42H46O23	918.24298	151649-64-8	knapsack	NA	NA
+FL5FAAGL0098	Kaempferol 3-(2''-caffeyllaminaribioside)-7-rhamnoside	C42H46O23	918.24298	128700-29-8	knapsack	NA	NA
+FL5FAAGL0099	Kaempferol 3-(4''-caffeyllaminaribioside)-7-rhamnoside	C42H46O23	918.24298	75848-03-2	knapsack	NA	NA
+FL5FAAGL0107	Kaempferol 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside	C42H46O23	918.24298	352644-38-3	knapsack	NA	NA
+FL5FACGA0042	Variabiloside A	C42H46O23	918.24298	113270-93-2	knapsack	NA	NA
+FL5FACGA0043	Variabiloside B	C42H46O23	918.24298	113349-36-3	knapsack	NA	NA
+FL5FACGL0077	Quercetin 3-(6'''-p-coumaryl-gentiobioside)-7-rhamnoside	C42H46O23	918.24298	138989-38-5	knapsack	NA	NA
+FL5FACGS0055	Quercetin 3-(6-[4-glucosyl-p-coumaryl]glucosyl)(1->2)-rhamnoside	C42H46O23	918.24298	142997-33-9	knapsack	NA	NA
+FL5FACGS0058	Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside-7-glucoside	C42H46O23	918.24298	143016-73-3	knapsack	NA	NA
+FL5FACGS0114	Quercetin 3-(6''-(E)-p-coumaroylsophoroside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-[[2-O-beta-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-4H-1-benzopyran-4-one	C42H46O23	918.24298	342620-95-5	knapsack	NA	NA
+FL5FAGGA0008	Myricetin 3-(4''-p-coumarylrobinobioside)-7-rhamnoside	C42H46O23	918.24298	107742-05-2	knapsack	NA	NA
+MJ097708	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-[?-L-rhamnopyranosyl-(1??)-?-D-galactopyranoside]], 7-O-rhamnopyranoside 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097709	Astragalin; 2''-O-(3,4-Dihydroxycinnamoyl), 3''-O-?-D-glucopyranosyl, 7-O-?-L-rhamnopyranoside 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097710	Astragalin; 2''-O-[4-Hydroxy-E-cinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097711	Astragalin; 7-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097712	Populnin; 3-O-[4-Hydroxycinnamoyl-(??)-?-D-glucopyranoside], 4'-O-?-D-glucopyranoside 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097713	Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-E-cinnamoyl-(?4)]-?-D-galactopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097714	Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[4-hydroxy-Z-cinnamoyl-(?4)]-?-D-galactopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097715	Quercitrin; 2''-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097716	Quercitrin; 2''-O-[?-D-Glucopyranosyl-(1?4)-4-hydroxycinnamoyl-(?6)-?-D-glucopyranosyl] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097717	Vincetoxicoside B; 3-O-[4-Hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097718	Vincetoxicoside B; 3-O-[4-Hydroxycinnamoyl-(?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097719	Vincetoxicoside B; 3-O-[4-Hydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097720	?-Rhamnoisorobin; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097721	?-Rhamnoisorobin; 3-O-[3,4-Dihydroxycinnamoyl-(?4)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C42H46O23	918.242987	NA	MeJP	NA	NA
+MJ097722	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097723	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097724	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 5-O-[4-hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097725	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097726	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-galactopyranoside], 5-O-[4-hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097727	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097728	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-[4-hydroxy-Z-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097729	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+MJ097730	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxycinnamoyl-(?3)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C42H47O23(+)	918.242987	NA	MeJP	NA	NA
+C12636	Kaempferol	C42H46O23	918.243	NA	KEGG	NA	NA
+PJ080141	PCCDDDDH 	C33H46N10O17S2	918.2484	NA	PeJP	NA	NA
+PJ080142	SSCCCCQW 	C34H50N10O12S4	918.2493	NA	PeJP	NA	NA
+PJ080143	SSSSCCCNE 	C30H50N10O17S3	918.2518	NA	PeJP	NA	NA
+PJ080144	CCDDDYW 	C38H46N8O15S2	918.2524	NA	PeJP	NA	NA
+PJ080145	SCCCNQMM 	C31H54N10O12S5	918.2527	NA	PeJP	NA	NA
+PJ080146	SSCDDDDY 	C34H46N8O20S	918.2549	NA	PeJP	NA	NA
+PJ080147	SPCCCDEY 	C35H50N8O15S3	918.2558	NA	PeJP	NA	NA
+PJ080148	CCDMMMW 	C36H54N8O10S5	918.2567	NA	PeJP	NA	NA
+MetaCyc04311	pyrrocorphinate []	C42H48N6O14NI1	918.258198	NA	metacyc	NA	NA
+PJ080149	SSCDDMMM 	C32H54N8O15S4	918.2592	NA	PeJP	NA	NA
+PJ080150	PTCCCMMM 	C33H58N8O10S6	918.2601	NA	PeJP	NA	NA
+PJ080151	GCCCEMHH 	C33H50N12O11S4	918.2605	NA	PeJP	NA	NA
+PJ080152	SCCCCNMR 	C30H54N12O11S5	918.2639	NA	PeJP	NA	NA
+FL3FACGS0018	Luteolin 7-neohesperidoside-4'-sophoroside	C39H50O25	918.26411	63043-64-1	knapsack	NA	NA
+FL5FAAGL0055	Kaempferol 3-sophorotrioside-7-rhamnoside	C39H50O25	918.26411	50906-48-4	knapsack	NA	NA
+FL5FAAGL0057	Kaempferol 3-(2G-glucosylrutinoside)-7-glucoside	C39H50O25	918.26411	131559-50-7	knapsack	NA	NA
+FL5FAAGL0059	Kaempferol 3-rutinoside-7-sophoroside	C39H50O25	918.26411	152503-07-6	knapsack	NA	NA
+FL5FACGL0051	Quercetin 3-(2G-rhamnosylrutinoside)-7-glucoside	C39H50O25	918.26411	74517-69-4	knapsack	NA	NA
+FL5FACGS0087	Quercetin 3-glucosyl-(1->4)-rhamnoside-7-rutinoside;3-[(6-Deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C39H50O25	918.26411	187410-77-1	knapsack	NA	NA
+FL5FACGS0088	Quercetin 3-rhamnosyl-(1->6)-[glucosyl-(1->2)-glucoside]-7-rhamnoside;3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C39H50O25	918.26411	637774-58-4	knapsack	NA	NA
+MJ097731	3',4',5,7-Tetrahydroxy-3-methoxyflavone; 7-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097732	3',4',5,7-Tetrahydroxyflavone; 4'-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097733	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 4',7-di-O-?-D-glucopyranoside 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097734	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 4'-O-[?-D-glucopyranosyl-(1??)-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097735	3,4',5,7-Tetrahydroxyflavone; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097736	Astragalin; 2''-O-?-D-Glucopyranosyl, 6''-O-?-L-rhamnopyranosyl, 7-O-?-D-glucopyranoside 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097737	Quercimeritrin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097738	Quercitrin; 4''-O-Glucopyranosyl, 7-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097739	Vicenin 2; 2'',2'''-Di-O-?-D-glucopyranosyl 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097740	Vicenin 2; 4'',4'''-Di-O-?-D-glucopyranosyl 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097741	Vicenin 2; 6'',6'''-Di-O-?-D-glucopyranosyl 	C39H50O25	918.264117	NA	MeJP	NA	NA
+MJ097742	?-Rhamnoisorobin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O25	918.264117	NA	MeJP	NA	NA
+PJ080153	GCCCCHFF 	C38H50N10O9S4	918.2646	NA	PeJP	NA	NA
+PJ080154	GDDDDDMH 	C33H46N10O19S	918.2662	NA	PeJP	NA	NA
+PJ080155	GSSSSCCCW 	C34H50N10O14S3	918.267	NA	PeJP	NA	NA
+PJ080156	GGGCCNDMY 	C34H50N10O14S3	918.2671	NA	PeJP	NA	NA
+PJ080157	ACCCCCKW 	C35H54N10O9S5	918.2679	NA	PeJP	NA	NA
+PJ080158	GSSSSSSCCD 	C30H50N10O19S2	918.2695	NA	PeJP	NA	NA
+PJ080159	GSSSCCNMM 	C31H54N10O14S4	918.2704	NA	PeJP	NA	NA
+PJ080160	CCDDMFW 	C39H50N8O12S3	918.2711	NA	PeJP	NA	NA
+PJ080161	GSCDDEMY 	C35H50N8O17S2	918.2736	NA	PeJP	NA	NA
+PJ080162	GPCCDMMY 	C36H54N8O12S4	918.2744	NA	PeJP	NA	NA
+PJ080163	CCCMHHW 	C37H50N12O8S4	918.2758	NA	PeJP	NA	NA
+PJ080164	SCNNDDDH 	C32H46N12O18S	918.2774	NA	PeJP	NA	NA
+PJ080165	GSCEMMMM 	C33H58N8O12S5	918.2778	NA	PeJP	NA	NA
+PJ080166	SSCCDMHH 	C33H50N12O13S3	918.2783	NA	PeJP	NA	NA
+PJ080167	CDDDEHW 	C37H46N10O16S	918.2814	NA	PeJP	NA	NA
+PJ080168	ASSSCCCCR 	C30H54N12O13S4	918.2816	NA	PeJP	NA	NA
+PJ080169	GSSTCCCCR 	C30H54N12O13S4	918.2817	NA	PeJP	NA	NA
+PJ080170	CCCNQYW 	C38H50N10O11S3	918.2823	NA	PeJP	NA	NA
+PJ080171	SSDDDDEH 	C33H46N10O21	918.2839	NA	PeJP	NA	NA
+PJ080172	GGPNDDDDD 	C33H46N10O21	918.284	NA	PeJP	NA	NA
+PJ080173	SSCCNNEY 	C34H50N10O16S2	918.2848	NA	PeJP	NA	NA
+PJ080174	SSCCCCKW 	C35H54N10O11S4	918.2857	NA	PeJP	NA	NA
+PJ080175	NDDDDYY 	C38H46N8O19	918.288	NA	PeJP	NA	NA
+PJ080176	SSSSSCCQM 	C31H54N10O16S3	918.2882	NA	PeJP	NA	NA
+PJ080177	SCDDMYW 	C39H50N8O14S2	918.2888	NA	PeJP	NA	NA
+PJ080178	SCCCNKMM 	C32H58N10O11S5	918.289	NA	PeJP	NA	NA
+PJ080179	GGSCCCKMM 	C32H58N10O11S5	918.2891	NA	PeJP	NA	NA
+PJ080180	PPCCCCFF 	C40H54N8O9S4	918.2897	NA	PeJP	NA	NA
+PJ080181	SSSDDDMY 	C35H50N8O19S	918.2913	NA	PeJP	NA	NA
+PJ080182	NDDMMMY 	C36H54N8O14S3	918.2922	NA	PeJP	NA	NA
+PJ080183	SCMMMMW 	C37H58N8O9S5	918.2931	NA	PeJP	NA	NA
+PJ080184	GPCCCNHW 	C37H50N12O10S3	918.2935	NA	PeJP	NA	NA
+PJ080185	GGGPCCCHW 	C37H50N12O10S3	918.2936	NA	PeJP	NA	NA
+PJ080186	SSSDMMMM 	C33H58N8O14S4	918.2956	NA	PeJP	NA	NA
+PJ080187	GCNNDEMH 	C33H50N12O15S2	918.296	NA	PeJP	NA	NA
+PJ080188	GGGCNDEMH 	C33H50N12O15S2	918.2961	NA	PeJP	NA	NA
+PJ080189	NMMMMMM 	C34H62N8O9S6	918.2964	NA	PeJP	NA	NA
+PJ080190	GCCCCQFR 	C34H54N12O10S4	918.2969	NA	PeJP	NA	NA
+PJ080191	SSSSSCCCR 	C30H54N12O15S3	918.2994	NA	PeJP	NA	NA
+PJ080192	GSSCCNYW 	C38H50N10O13S2	918.3001	NA	PeJP	NA	NA
+PJ080193	TCCCCCKR 	C31H58N12O10S5	918.3003	NA	PeJP	NA	NA
+PJ080194	GSSSSCNDY 	C34H50N10O18S	918.3026	NA	PeJP	NA	NA
+PJ080195	CCDEMRY 	C35H54N10O13S3	918.3034	NA	PeJP	NA	NA
+PJ080196	GGGPPPCCCE 	C35H54N10O13S3	918.3035	NA	PeJP	NA	NA
+MJ097743	Perdeacylemarginatine; 8-Epimer, 1-benzoyl, 6,9,14-tri-Ac 	C46H50N2O18	918.305862	NA	MeJP	NA	NA
+PJ080197	GSSSSSSSCM 	C31H54N10O18S2	918.3059	NA	PeJP	NA	NA
+PJ080198	GSPCDDYY 	C39H50N8O16S	918.3066	NA	PeJP	NA	NA
+PJ080199	GSSTCCCKM 	C32H58N10O13S4	918.3068	NA	PeJP	NA	NA
+PJ080200	GCCNDDHR 	C32H50N14O14S2	918.3073	NA	PeJP	NA	NA
+PJ080201	GCEMMYW 	C40H54N8O11S3	918.3074	NA	PeJP	NA	NA
+PJ080202	VCCDMYW 	C40H54N8O11S3	918.3075	NA	PeJP	NA	NA
+PJ080203	GPDDEEEE 	C35H50N8O21	918.3091	NA	PeJP	NA	NA
+PJ080204	GSSDEMMY 	C36H54N8O16S2	918.31	NA	PeJP	NA	NA
+PJ080205	GSPCMMMY 	C37H58N8O11S4	918.3108	NA	PeJP	NA	NA
+PJ080206	CNNDMHW 	C37H50N12O12S2	918.3113	NA	PeJP	NA	NA
+PJ080207	SSNNDDMH 	C33H50N12O17S	918.3138	NA	PeJP	NA	NA
+PJ080208	GSTMMMMM 	C34H62N8O11S5	918.3142	NA	PeJP	NA	NA
+PJ080209	GSCCCQRY 	C34H54N12O12S3	918.3147	NA	PeJP	NA	NA
+PJ080210	SDDEMHW 	C38H50N10O15S	918.3178	NA	PeJP	NA	NA
+PJ080211	CCCNKYW 	C39H54N10O10S3	918.3187	NA	PeJP	NA	NA
+PJ080212	SSSDEEEH 	C34H50N10O20	918.3203	NA	PeJP	NA	NA
+PJ080213	SSSCNQMY 	C35H54N10O15S2	918.3212	NA	PeJP	NA	NA
+PJ080214	GSDDDHHH 	C35H46N14O16	918.3217	NA	PeJP	NA	NA
+PJ080215	GCDEFYW 	C43H50N8O13S	918.3218	NA	PeJP	NA	NA
+PJ080216	CCEMMFR 	C36H58N10O10S4	918.3221	NA	PeJP	NA	NA
+PJ080217	GPCCEHHH 	C36H50N14O11S2	918.3225	NA	PeJP	NA	NA
+PJ080218	CMMYWW 	C44H54N8O8S3	918.3227	NA	PeJP	NA	NA
+PJ080219	SSSSSSSSTC 	C31H54N10O20S	918.3237	NA	PeJP	NA	NA
+PJ080220	SNDEEYY 	C39H50N8O18	918.3243	NA	PeJP	NA	NA
+PJ080221	PDDEEEW 	C39H50N8O18	918.3244	NA	PeJP	NA	NA
+PJ080222	SSSSSCCKM 	C32H58N10O15S3	918.3246	NA	PeJP	NA	NA
+PJ080223	GSSSCNNNH 	C32H50N14O16S	918.325	NA	PeJP	NA	NA
+PJ080224	GGGGGGGSSSCH 	C32H50N14O16S	918.3251	NA	PeJP	NA	NA
+PJ080225	SSDMMYW 	C40H54N8O13S2	918.3252	NA	PeJP	NA	NA
+PJ080226	TCCCCKKM 	C33H62N10O10S5	918.3254	NA	PeJP	NA	NA
+PJ080227	SPCCCNHR 	C33H54N14O11S3	918.3259	NA	PeJP	NA	NA
+PJ080228	ACMMMFW 	C41H58N8O8S4	918.3261	NA	PeJP	NA	NA
+PJ080229	ACCNHWW 	C41H50N12O9S2	918.3265	NA	PeJP	NA	NA
+PJ080230	GCCQHWW 	C41H50N12O9S2	918.3266	NA	PeJP	NA	NA
+PJ080231	SSSSEEMY 	C36H54N8O18S	918.3277	NA	PeJP	NA	NA
+PJ080232	SQEMMMY 	C37H58N8O13S3	918.3286	NA	PeJP	NA	NA
+PJ080233	GSSCNEHW 	C37H50N12O14S	918.3291	NA	PeJP	NA	NA
+PJ080234	CNMMHHF 	C38H54N12O9S3	918.3299	NA	PeJP	NA	NA
+PJ080235	GSSSSNDEH 	C33H50N12O19	918.3316	NA	PeJP	NA	NA
+PJ080236	SSTTMMMM 	C34H62N8O13S4	918.3319	NA	PeJP	NA	NA
+PJ080237	SSSCCNRY 	C34H54N12O14S2	918.3324	NA	PeJP	NA	NA
+PJ080238	GGGGGGGPPTCC 	C34H54N12O14S2	918.3325	NA	PeJP	NA	NA
+PJ080239	GCNNYYW 	C42H50N10O12S	918.3331	NA	PeJP	NA	NA
+PJ080240	GCCCCKFR 	C35H58N12O9S4	918.3333	NA	PeJP	NA	NA
+PJ080241	GSPNDDEW 	C38H50N10O17	918.3356	NA	PeJP	NA	NA
+PJ080242	GEEMMHW 	C39H54N10O12S2	918.3364	NA	PeJP	NA	NA
+PJ080243	VCDEMHW 	C39H54N10O12S2	918.3365	NA	PeJP	NA	NA
+PJ080244	CDFYWW 	C47H50N8O10S	918.3371	NA	PeJP	NA	NA
+PJ080245	PCCHHHW 	C40H50N14O8S2	918.3378	NA	PeJP	NA	NA
+PJ080246	GSSSSSNMY 	C35H54N10O17S	918.3389	NA	PeJP	NA	NA
+PJ080247	GSTEEEMH 	C35H54N10O17S	918.339	NA	PeJP	NA	NA
+PJ080248	GSDEYYW 	C43H50N8O15	918.3396	NA	PeJP	NA	NA
+PJ080249	SCEMMRY 	C36H58N10O12S3	918.3398	NA	PeJP	NA	NA
+PJ080250	GCNNNNHF 	C36H50N14O13S	918.3403	NA	PeJP	NA	NA
+PJ080251	GPCMYYW 	C44H54N8O10S2	918.3405	NA	PeJP	NA	NA
+PJ080252	GNNNDDDR 	C32H50N14O18	918.3428	NA	PeJP	NA	NA
+PJ080253	GQEEMYY 	C40H54N8O15S	918.343	NA	PeJP	NA	NA
+PJ080254	GSCNDMHR 	C33H54N14O13S2	918.3437	NA	PeJP	NA	NA
+PJ080255	GTMMMYW 	C41H58N8O10S3	918.3438	NA	PeJP	NA	NA
+PJ080256	SSCNHWW 	C41H50N12O11S	918.3443	NA	PeJP	NA	NA
+PJ080257	GPTEEEEE 	C36H54N8O20	918.3455	NA	PeJP	NA	NA
+PJ080258	GSTTEMMY 	C37H58N8O15S2	918.3463	NA	PeJP	NA	NA
+PJ080259	GPPEEEMM 	C37H58N8O15S2	918.3464	NA	PeJP	NA	NA
+PJ080260	SSSSNDHW 	C37H50N12O16	918.3468	NA	PeJP	NA	NA
+PJ080261	VNMMMMY 	C38H62N8O10S4	918.3472	NA	PeJP	NA	NA
+PJ080262	SNNMMHW 	C38H54N12O11S2	918.3477	NA	PeJP	NA	NA
+PJ080263	GPNDDDMR 	C34H54N12O16S	918.3502	NA	PeJP	NA	NA
+PJ080264	SPNDDWW 	C42H50N10O14	918.3508	NA	PeJP	NA	NA
+PJ080265	NQQMMMH 	C35H58N12O11S3	918.351	NA	PeJP	NA	NA
+PJ080266	GSCCCKRY 	C35H58N12O11S3	918.3511	NA	PeJP	NA	NA
+PJ080267	CDDHHHR 	C35H50N16O12S	918.3515	NA	PeJP	NA	NA
+PJ080268	EMMHWW 	C43H54N10O9S2	918.3517	NA	PeJP	NA	NA
+MJ097744	Amanitin; ?-Amanitin 	C39H54N10O14S	918.354167	NA	MeJP	NA	NA
+C08438	alpha-Amanitin	C39H54N10O14S	918.3542	NA	KEGG	NA	NA
+PJ080269	STEEMHW 	C39H54N10O14S	918.3542	NA	PeJP	NA	NA
+PJ080270	SDYYWW 	C47H50N8O12	918.3548	NA	PeJP	NA	NA
+PJ080271	SPMMMHW 	C40H58N10O9S3	918.3551	NA	PeJP	NA	NA
+PJ080272	ACEHHHW 	C40H50N14O10S	918.3555	NA	PeJP	NA	NA
+PJ080273	GDMHHHW 	C40H50N14O10S	918.3556	NA	PeJP	NA	NA
+PJ080274	CMFFWW 	C48H54N8O7S2	918.3557	NA	PeJP	NA	NA
+PJ080275	SSSSSSSQY 	C35H54N10O19	918.3567	NA	PeJP	NA	NA
+PJ080276	SSSCNKMY 	C36H58N10O14S2	918.3576	NA	PeJP	NA	NA
+PJ080277	GSNNNNNW 	C36H50N14O15	918.358	NA	PeJP	NA	NA
+PJ080278	GGGGGSNNNW 	C36H50N14O15	918.3581	NA	PeJP	NA	NA
+PJ080279	QEMYYW 	C44H54N8O12S	918.3582	NA	PeJP	NA	NA
+PJ080280	GMMMMRY 	C37H62N10O9S4	918.3584	NA	PeJP	NA	NA
+PJ080281	GCCCKKMF 	C37H62N10O9S4	918.3585	NA	PeJP	NA	NA
+PJ080282	SCCQHRW 	C37H54N14O10S2	918.3589	NA	PeJP	NA	NA
+PJ080283	PTEEEEW 	C40H54N8O17	918.3607	NA	PeJP	NA	NA
+PJ080284	SSSCNEHR 	C33H54N14O15S	918.3614	NA	PeJP	NA	NA
+PJ080285	GGGGGGGGGGAQM 	C33H54N14O15S	918.3615	NA	PeJP	NA	NA
+PJ080286	STTMMYW 	C41H58N8O12S2	918.3616	NA	PeJP	NA	NA
+PJ080287	GNNNEWW 	C41H50N12O13	918.3621	NA	PeJP	NA	NA
+PJ080288	CNQMMHR 	C34H58N14O10S3	918.3623	NA	PeJP	NA	NA
+PJ080289	GCCKHWW 	C42H54N12O8S2	918.3629	NA	PeJP	NA	NA
+PJ080290	SSTTTEMY 	C37H58N8O17S	918.3641	NA	PeJP	NA	NA
+PJ080291	SKEMMMY 	C38H62N8O12S3	918.365	NA	PeJP	NA	NA
+PJ080292	PCNDERW 	C38H54N12O13S	918.3654	NA	PeJP	NA	NA
+PJ080293	GGPCDERW 	C38H54N12O13S	918.3655	NA	PeJP	NA	NA
+PJ080294	DEHFWW 	C46H50N10O11	918.3661	NA	PeJP	NA	NA
+PJ080295	NNEEEER 	C34H54N12O18	918.3679	NA	PeJP	NA	NA
+PJ080296	GGNEEEER 	C34H54N12O18	918.368	NA	PeJP	NA	NA
+PJ080297	SEEMMHR 	C35H58N12O13S2	918.3688	NA	PeJP	NA	NA
+PJ080298	SSSNNHHH 	C35H50N16O14	918.3693	NA	PeJP	NA	NA
+PJ080299	GPNEMWW 	C43H54N10O11S	918.3695	NA	PeJP	NA	NA
+PJ080300	GSSSQQYY 	C39H54N10O16	918.3719	NA	PeJP	NA	NA
+PJ080301	AQQEEEW 	C39H54N10O16	918.372	NA	PeJP	NA	NA
+PJ080302	GCNNNNQR 	C32H54N16O14S	918.3726	NA	PeJP	NA	NA
+PJ080303	GGGCNNNQR 	C32H54N16O14S	918.3727	NA	PeJP	NA	NA
+PJ080304	SVEMMHW 	C40H58N10O11S2	918.3728	NA	PeJP	NA	NA
+PJ080305	GGGGPPPCMF 	C40H58N10O11S2	918.3729	NA	PeJP	NA	NA
+PJ080306	SSEHHHW 	C40H50N14O12	918.3733	NA	PeJP	NA	NA
+PJ080307	AMYYWW 	C48H54N8O9S	918.3735	NA	PeJP	NA	NA
+PJ080308	GSSSSTCKY 	C36H58N10O16S	918.3753	NA	PeJP	NA	NA
+PJ080309	GGGPDKEEM 	C36H58N10O16S	918.3754	NA	PeJP	NA	NA
+PJ080310	GTTEYYW 	C44H54N8O14	918.376	NA	PeJP	NA	NA
+PJ080311	STMMMRY 	C37H62N10O11S3	918.3762	NA	PeJP	NA	NA
+PJ080312	GSSSCHRW 	C37H54N14O12S	918.3767	NA	PeJP	NA	NA
+PJ080313	AAMMFYW 	C45H58N8O9S2	918.3768	NA	PeJP	NA	NA
+PJ080314	GCLMFYW 	C45H58N8O9S2	918.3769	NA	PeJP	NA	NA
+PJ080315	NNNWWW 	C45H50N12O10	918.3773	NA	PeJP	NA	NA
+PJ080316	NDDDERR 	C33H54N14O17	918.3792	NA	PeJP	NA	NA
+PJ080317	SVQEMYY 	C41H58N8O14S	918.3793	NA	PeJP	NA	NA
+PJ080318	PVEEEMW 	C41H58N8O14S	918.3794	NA	PeJP	NA	NA
+PJ080319	TFYYYY 	C49H54N6O12	918.38	NA	PeJP	NA	NA
+PJ080320	GGGSSMMHR 	C34H58N14O12S2	918.3801	NA	PeJP	NA	NA
+PJ080321	PCKMMFY 	C42H62N8O9S3	918.3802	NA	PeJP	NA	NA
+PJ080322	GPCDRWW 	C42H54N12O10S	918.3807	NA	PeJP	NA	NA
+PJ080323	AALEEEEE 	C37H58N8O19	918.3819	NA	PeJP	NA	NA
+PJ080324	SSSTLMMY 	C38H62N8O14S2	918.3827	NA	PeJP	NA	NA
+PJ080325	GNEEERW 	C38H54N12O15	918.3832	NA	PeJP	NA	NA
+PJ080326	CLKMMMY 	C39H66N8O9S4	918.3836	NA	PeJP	NA	NA
+PJ080327	GPPTCCRW 	C39H58N12O10S2	918.3841	NA	PeJP	NA	NA
+PJ080328	NNNHHHF 	C39H50N16O11	918.3845	NA	PeJP	NA	NA
+PJ080329	GGGGNHHHF 	C39H50N16O11	918.3846	NA	PeJP	NA	NA
+PJ080330	PNMWWW 	C47H54N10O8S	918.3847	NA	PeJP	NA	NA
+PJ080331	GSPNEEMR 	C35H58N12O15S	918.3866	NA	PeJP	NA	NA
+PJ080332	AAQEEWW 	C43H54N10O13	918.3872	NA	PeJP	NA	NA
+PJ080333	VDMMMHR 	C36H62N12O10S3	918.3874	NA	PeJP	NA	NA
+PJ080334	GGAPPCMMR 	C36H62N12O10S3	918.3875	NA	PeJP	NA	NA
+PJ080335	SDMHHHR 	C36H54N16O11S	918.3879	NA	PeJP	NA	NA
+PJ080336	PPCCKWW 	C44H58N10O8S2	918.3881	NA	PeJP	NA	NA
+PJ080337	SSNNNNNR 	C32H54N16O16	918.3904	NA	PeJP	NA	NA
+PJ080338	PNDKEMW 	C40H58N10O13S	918.3906	NA	PeJP	NA	NA
+PJ080339	TTYYWW 	C48H54N8O11	918.3912	NA	PeJP	NA	NA
+PJ080340	GSTCCHRR 	C33H58N16O11S2	918.3913	NA	PeJP	NA	NA
+PJ080341	ALMMMHW 	C41H62N10O8S3	918.3915	NA	PeJP	NA	NA
+PJ080342	GCNHFRW 	C41H54N14O9S	918.3919	NA	PeJP	NA	NA
+PJ080343	SSSSSSSKY 	C36H58N10O18	918.3931	NA	PeJP	NA	NA
+PJ080344	SPPTQQMM 	C37H62N10O13S2	918.3939	NA	PeJP	NA	NA
+PJ080345	SSTCCKKY 	C37H62N10O13S2	918.394	NA	PeJP	NA	NA
+PJ080346	GDDDRRW 	C37H54N14O14	918.3944	NA	PeJP	NA	NA
+PJ080347	GGGGGGSERW 	C37H54N14O14	918.3945	NA	PeJP	NA	NA
+PJ080348	KEMYYW 	C45H58N8O11S	918.3946	NA	PeJP	NA	NA
+PJ080349	SCCKHRW 	C38H58N14O9S2	918.3953	NA	PeJP	NA	NA
+PJ080350	SQHHHHH 	C38H50N18O10	918.3958	NA	PeJP	NA	NA
+PJ080351	VVEEEEW 	C41H58N8O16	918.3971	NA	PeJP	NA	NA
+PJ080352	GSPCDERR 	C34H58N14O14S	918.3978	NA	PeJP	NA	NA
+PJ080353	SPKMMYY 	C42H62N8O11S2	918.398	NA	PeJP	NA	NA
+PJ080354	GSQQQWW 	C42H54N12O12	918.3984	NA	PeJP	NA	NA
+PJ080355	NEERWW 	C42H54N12O12	918.3985	NA	PeJP	NA	NA
+PJ080356	GPPCCMRR 	C35H62N14O9S3	918.3987	NA	PeJP	NA	NA
+PJ080357	TTTTTTMY 	C38H62N8O16S	918.4005	NA	PeJP	NA	NA
+MJ097745	RA-V; 5''-O-?-D-Glucopyranoside 	C46H58N6O14	918.4011	NA	MeJP	NA	NA
+MJ097746	RA-V; 5'-O-De-Me, 5''-Me ether, 5'-O-?-D-glucopyranoside 	C46H58N6O14	918.4011	NA	MeJP	NA	NA
+PJ080358	APPLEMMM 	C39H66N8O11S3	918.4014	NA	PeJP	NA	NA
+PJ080359	SPNEMRW 	C39H58N12O12S	918.4018	NA	PeJP	NA	NA
+PJ080360	GGGGGGGALMW 	C39H58N12O12S	918.4019	NA	PeJP	NA	NA
+PJ080361	VNEWWW 	C47H54N10O10	918.4025	NA	PeJP	NA	NA
+PJ080362	NDKEEER 	C35H58N12O17	918.4043	NA	PeJP	NA	NA
+PJ080363	GGGGGGATKEE 	C35H58N12O17	918.4044	NA	PeJP	NA	NA
+PJ080364	PQQEMMR 	C36H62N12O12S2	918.4052	NA	PeJP	NA	NA
+PJ080365	GSPNDHHR 	C36H54N16O13	918.4057	NA	PeJP	NA	NA
+PJ080366	APTQMWW 	C44H58N10O10S	918.4058	NA	PeJP	NA	NA
+PJ080367	GPDKMWW 	C44H58N10O10S	918.4059	NA	PeJP	NA	NA
+PJ080368	AFFYWW 	C52H54N8O8	918.4065	NA	PeJP	NA	NA
+PJ080369	AQKEEEW 	C40H58N10O15	918.4083	NA	PeJP	NA	NA
+PJ080370	GAAKEEEW 	C40H58N10O15	918.4084	NA	PeJP	NA	NA
+PJ080371	SSSSCHRR 	C33H58N16O13S	918.409	NA	PeJP	NA	NA
+PJ080372	GGGGNDMRR 	C33H58N16O13S	918.4091	NA	PeJP	NA	NA
+PJ080373	TTLMMHW 	C41H62N10O10S2	918.4092	NA	PeJP	NA	NA
+PJ080374	GSNNRWW 	C41H54N14O11	918.4097	NA	PeJP	NA	NA
+PJ080375	AAMFFFW 	C49H58N8O8S	918.4099	NA	PeJP	NA	NA
+PJ080376	STTTLEMH 	C37H62N10O15S	918.4117	NA	PeJP	NA	NA
+PJ080377	SSTLYYW 	C45H58N8O13	918.4124	NA	PeJP	NA	NA
+PJ080378	LKEMMMH 	C38H66N10O10S3	918.4126	NA	PeJP	NA	NA
+PJ080379	ANNQMRW 	C38H58N14O11S	918.413	NA	PeJP	NA	NA
+PJ080380	SPCDRRW 	C38H58N14O11S	918.4131	NA	PeJP	NA	NA
+PJ080381	PCKMFFF 	C46H62N8O8S2	918.4132	NA	PeJP	NA	NA
+PJ080382	GERWWW 	C46H54N12O9	918.4137	NA	PeJP	NA	NA
+PJ080383	ASSSSSTHR 	C34H58N14O16	918.4155	NA	PeJP	NA	NA
+PJ080384	SNEEERR 	C34H58N14O16	918.4156	NA	PeJP	NA	NA
+PJ080385	SVKEMYY 	C42H62N8O13S	918.4157	NA	PeJP	NA	NA
+PJ080386	GPPLEEMF 	C42H62N8O13S	918.4158	NA	PeJP	NA	NA
+PJ080387	PNDMMRR 	C35H62N14O11S2	918.4164	NA	PeJP	NA	NA
+PJ080388	GGGGGPCKMR 	C35H62N14O11S2	918.4165	NA	PeJP	NA	NA
+PJ080389	CLKMMFF 	C43H66N8O8S3	918.4166	NA	PeJP	NA	NA
+PJ080390	NNNQHHR 	C35H54N18O12	918.4169	NA	PeJP	NA	NA
+PJ080391	GSPMRWW 	C43H58N12O9S	918.4171	NA	PeJP	NA	NA
+PJ080392	GVWWWW 	C51H54N10O7	918.4177	NA	PeJP	NA	NA
+PJ080393	PTTTLEEE 	C38H62N8O18	918.4182	NA	PeJP	NA	NA
+PJ080394	GTLLEEEE 	C38H62N8O18	918.4183	NA	PeJP	NA	NA
+PJ080395	GPLLEEMM 	C39H66N8O13S2	918.4191	NA	PeJP	NA	NA
+PJ080396	GDKEERW 	C39H58N12O14	918.4196	NA	PeJP	NA	NA
+PJ080397	SCKKMHW 	C40H62N12O9S2	918.4204	NA	PeJP	NA	NA
+PJ080398	APQMMRW 	C40H62N12O9S2	918.4205	NA	PeJP	NA	NA
+PJ080399	GEHHHFR 	C40H54N16O10	918.4209	NA	PeJP	NA	NA
+PJ080400	LMHFWW 	C48H58N10O7S	918.4211	NA	PeJP	NA	NA
+PJ080401	VQQEEMR 	C36H62N12O14S	918.4229	NA	PeJP	NA	NA
+PJ080402	GGLQEEMR 	C36H62N12O14S	918.423	NA	PeJP	NA	NA
+PJ080403	AAKEEWW 	C44H58N10O12	918.4236	NA	PeJP	NA	NA
+PJ080404	TLMMMHR 	C37H66N12O9S3	918.4238	NA	PeJP	NA	NA
+PJ080405	GCNQRRW 	C37H58N16O10S	918.4243	NA	PeJP	NA	NA
+PJ080406	GVHHHFW 	C45H54N14O8	918.425	NA	PeJP	NA	NA
+PJ080407	SDDDRRR 	C33H58N16O15	918.4268	NA	PeJP	NA	NA
+PJ080408	PTQKEMW 	C41H62N10O12S	918.427	NA	PeJP	NA	NA
+PJ080409	PKYYYW 	C49H58N8O10	918.4276	NA	PeJP	NA	NA
+PJ080410	PCCERRR 	C34H62N16O10S2	918.4277	NA	PeJP	NA	NA
+PJ080411	RWWWW 	C50H54N12O6	918.429	NA	PeJP	NA	NA
+PJ080412	QKKEEEE 	C37H62N10O17	918.4295	NA	PeJP	NA	NA
+PJ080413	SSTLLMMH 	C38H66N10O12S2	918.4303	NA	PeJP	NA	NA
+PJ080414	GPVQKEMM 	C38H66N10O12S2	918.4304	NA	PeJP	NA	NA
+PJ080415	GSEERRW 	C38H58N14O13	918.4308	NA	PeJP	NA	NA
+PJ080416	GGGGGGGGPPLH 	C38H58N14O13	918.4309	NA	PeJP	NA	NA
+PJ080417	PPLEMFW 	C46H62N8O10S	918.431	NA	PeJP	NA	NA
+PJ080418	APCMRRW 	C39H62N14O8S2	918.4317	NA	PeJP	NA	NA
+PJ080419	SKHHHHH 	C39H54N18O9	918.4322	NA	PeJP	NA	NA
+PJ080420	TLLEEEW 	C42H62N8O15	918.4335	NA	PeJP	NA	NA
+PJ080421	AQEEMRR 	C35H62N14O13S	918.4342	NA	PeJP	NA	NA
+PJ080422	PLLEMMW 	C43H66N8O10S2	918.4344	NA	PeJP	NA	NA
+PJ080423	DKERWW 	C43H58N12O11	918.4348	NA	PeJP	NA	NA
+PJ080424	GGGGATKWW 	C43H58N12O11	918.4349	NA	PeJP	NA	NA
+PJ080425	PCNHHRR 	C36H58N18O9S	918.4355	NA	PeJP	NA	NA
+PJ080426	HHHFRW 	C44H54N16O7	918.4362	NA	PeJP	NA	NA
+PJ080427	GVLLEEEM 	C39H66N8O15S	918.4369	NA	PeJP	NA	NA
+PJ080428	SPPLLMMM 	C40H70N8O10S3	918.4377	NA	PeJP	NA	NA
+PJ080429	GLQEMRW 	C40H62N12O11S	918.4382	NA	PeJP	NA	NA
+PJ080430	VDKWWW 	C48H58N10O9	918.4389	NA	PeJP	NA	NA
+PJ080431	TQKEEER 	C36H62N12O16	918.4407	NA	PeJP	NA	NA
+PJ080432	PQKEMMR 	C37H66N12O11S2	918.4416	NA	PeJP	NA	NA
+PJ080433	SSNNRRW 	C37H58N16O12	918.442	NA	PeJP	NA	NA
+PJ080434	GGSSNRRW 	C37H58N16O12	918.4421	NA	PeJP	NA	NA
+PJ080435	APTKMWW 	C45H62N10O9S	918.4422	NA	PeJP	NA	NA
+MJ097747	Glysperin B 	C40H66N6O18	918.443359	NA	MeJP	NA	NA
+PJ080436	AKKEEEW 	C41H62N10O14	918.4447	NA	PeJP	NA	NA
+PJ080437	GGGGGPLLEY 	C41H62N10O14	918.4448	NA	PeJP	NA	NA
+PJ080438	GDEMRRR 	C34H62N16O12S	918.4454	NA	PeJP	NA	NA
+PJ080439	PVQKMMW 	C42H66N10O9S2	918.4456	NA	PeJP	NA	NA
+MJ097748	Spirost-5-ene-1,3,12,23,24-pentol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H70O20	918.446044	NA	MeJP	NA	NA
+PJ080440	SERRWW 	C42H58N14O10	918.4461	NA	PeJP	NA	NA
+PJ080441	LLEEEMR 	C38H66N10O14S	918.4481	NA	PeJP	NA	NA
+PJ080442	SPVKYYY 	C46H62N8O12	918.4487	NA	PeJP	NA	NA
+MJ097749	Somamide B 	C46H62N8O12	918.448719	NA	MeJP	NA	NA
+PJ080443	PVLEEFW 	C46H62N8O12	918.4488	NA	PeJP	NA	NA
+PJ080444	GPPKKMMM 	C39H70N10O9S3	918.449	NA	PeJP	NA	NA
+PJ080445	SSPMRRW 	C39H62N14O10S	918.4494	NA	PeJP	NA	NA
+PJ080446	AAEMRRW 	C39H62N14O10S	918.4495	NA	PeJP	NA	NA
+PJ080447	SVRWWW 	C47H58N12O8	918.4501	NA	PeJP	NA	NA
+PJ080448	SDKEERR 	C35H62N14O15	918.4519	NA	PeJP	NA	NA
+PJ080449	AASTEERR 	C35H62N14O15	918.452	NA	PeJP	NA	NA
+PJ080450	VLLEEMW 	C43H66N8O12S	918.4521	NA	PeJP	NA	NA
+PJ080451	PTQMMRR 	C36H66N14O10S2	918.4528	NA	PeJP	NA	NA
+PJ080452	GQEHHRR 	C36H58N18O11	918.4533	NA	PeJP	NA	NA
+PJ080453	LQMRWW 	C44H62N12O8S	918.4535	NA	PeJP	NA	NA
+PJ080454	SSLLLEEE 	C39H66N8O17	918.4546	NA	PeJP	NA	NA
+PJ080455	SPVLLEMM 	C40H70N8O12S2	918.4555	NA	PeJP	NA	NA
+PJ080456	ATKEERW 	C40H62N12O13	918.456	NA	PeJP	NA	NA
+PJ080457	SCNQRRR 	C33H62N18O11S	918.4567	NA	PeJP	NA	NA
+PJ080458	APKMMRW 	C41H66N12O8S2	918.4568	NA	PeJP	NA	NA
+PJ080459	GVQHHRW 	C41H58N16O9	918.4573	NA	PeJP	NA	NA
+PJ080460	VQKEEMR 	C37H66N12O13S	918.4593	NA	PeJP	NA	NA
+PJ080461	GGLKEEMR 	C37H66N12O13S	918.4594	NA	PeJP	NA	NA
+PJ080462	GTLKEWW 	C45H62N10O11	918.46	NA	PeJP	NA	NA
+PJ080463	DMRRRW 	C38H62N16O9S	918.4607	NA	PeJP	NA	NA
+PJ080464	SSEERRR 	C34H62N16O14	918.4632	NA	PeJP	NA	NA
+PJ080465	SCKKKYY 	C42H66N10O11S	918.4633	NA	PeJP	NA	NA
+PJ080466	PTKKEMW 	C42H66N10O11S	918.4634	NA	PeJP	NA	NA
+PJ080467	LKFYYW 	C50H62N8O9	918.464	NA	PeJP	NA	NA
+PJ080468	PTCMRRR 	C35H66N16O9S2	918.4641	NA	PeJP	NA	NA
+PJ080469	CLRRWW 	C43H62N14O7S	918.4647	NA	PeJP	NA	NA
+PJ080470	STTILQQE 	C38H66N10O16	918.4658	NA	PeJP	NA	NA
+PJ080471	KKKEEEE 	C38H66N10O16	918.4659	NA	PeJP	NA	NA
+PJ080472	GPVKKEMM 	C39H70N10O11S2	918.4667	NA	PeJP	NA	NA
+PJ080473	GGGGALLLMM 	C39H70N10O11S2	918.4668	NA	PeJP	NA	NA
+PJ080474	ATTERRW 	C39H62N14O12	918.4672	NA	PeJP	NA	NA
+PJ080475	PPLLMYW 	C47H66N8O9S	918.4674	NA	PeJP	NA	NA
+PJ080476	QHHRRW 	C40H58N18O8	918.4685	NA	PeJP	NA	NA
+PJ080477	GAHHRRW 	C40H58N18O8	918.4686	NA	PeJP	NA	NA
+PJ080478	GPVLLEEY 	C43H66N8O14	918.4699	NA	PeJP	NA	NA
+PJ080479	AKEEMRR 	C36H66N14O12S	918.4706	NA	PeJP	NA	NA
+5443	tryptophan-modified caprine lactoferricin (LFC W8)	SKCYQWQWRMRKLGA	918.4707	MH2+	Inhouse_peptide	NA	peptide
+PJ080480	APPLLMMF 	C44H70N8O9S2	918.4708	NA	PeJP	NA	NA
+PJ080481	GTTLRWW 	C44H62N12O10	918.4712	NA	PeJP	NA	NA
+PJ080482	ATLLLEEM 	C40H70N8O14S	918.4733	NA	PeJP	NA	NA
+PJ080483	APLLLMMM 	C41H74N8O9S3	918.4741	NA	PeJP	NA	NA
+PJ080484	GSSSNRRR 	C33H62N18O13	918.4744	NA	PeJP	NA	NA
+PJ080485	GLKEMRW 	C41H66N12O10S	918.4746	NA	PeJP	NA	NA
+PJ080486	TLKWWW 	C49H62N10O8	918.4752	NA	PeJP	NA	NA
+PJ080487	GPVKFWW 	C49H62N10O8	918.4753	NA	PeJP	NA	NA
+PJ080488	TKKEEER 	C37H66N12O15	918.4771	NA	PeJP	NA	NA
+PJ080489	PKKEMMR 	C38H70N12O10S2	918.478	NA	PeJP	NA	NA
+PJ080490	GPDRRRY 	C38H62N16O11	918.4784	NA	PeJP	NA	NA
+PJ080491	GGGAAQFRR 	C38H62N16O11	918.4785	NA	PeJP	NA	NA
+PJ080492	GVLKMWW 	C46H66N10O8S	918.4786	NA	PeJP	NA	NA
+PJ080493	SLKKEEW 	C42H66N10O13	918.4811	NA	PeJP	NA	NA
+PJ080494	ATEMRRR 	C35H66N16O11S	918.4818	NA	PeJP	NA	NA
+PJ080495	PVKKMMW 	C43H70N10O8S2	918.482	NA	PeJP	NA	NA
+MJ097750	Furost-20(22)-ene-2,3,26-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097751	Furost-25-ene-3,22,27-triol, 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranoside], 27-O-?-D-glucopyranoside 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097752	Furost-5-ene-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097753	Spirostane-2,3,5-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097754	Spirostane-2,3-diol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097755	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097756	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-galactopyranoside] 	C45H74O19	918.48243	NA	MeJP	NA	NA
+MJ097757	Spirostane-2,3-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H74O19	918.48243	NA	MeJP	NA	NA
+PJ080496	AAPRRYW 	C43H62N14O9	918.4825	NA	PeJP	NA	NA
+PJ080497	AALKKEEM 	C39H70N10O13S	918.4845	NA	PeJP	NA	NA
+PJ080498	PVLLEYW 	C47H66N8O11	918.4851	NA	PeJP	NA	NA
+PJ080499	GPPLLEFF 	C47H66N8O11	918.4852	NA	PeJP	NA	NA
+PJ080500	GTLMRRW 	C40H66N14O9S	918.4858	NA	PeJP	NA	NA
+PJ080501	PKFRWW 	C48H62N12O7	918.4865	NA	PeJP	NA	NA
+PJ080502	TTKEERR 	C36H66N14O14	918.4883	NA	PeJP	NA	NA
+PJ080503	GGGGGGSSKKK 	C36H66N14O14	918.4884	NA	PeJP	NA	NA
+PJ080504	SPPVLLMY 	C44H70N8O11S	918.4885	NA	PeJP	NA	NA
+PJ080505	PTKMMRR 	C37H70N14O9S2	918.4892	NA	PeJP	NA	NA
+PJ080506	GNNFRRR 	C37H62N18O10	918.4897	NA	PeJP	NA	NA
+PJ080507	LKMRWW 	C45H66N12O7S	918.4899	NA	PeJP	NA	NA
+PJ080508	TTTLLLEE 	C40H70N8O16	918.491	NA	PeJP	NA	NA
+PJ080509	GLLLLEMM 	C41H74N8O11S2	918.4919	NA	PeJP	NA	NA
+PJ080510	STLKERW 	C41H66N12O12	918.4923	NA	PeJP	NA	NA
+PJ080511	TTLDKRW 	C41H66N12O12	918.4924	NA	PeJP	NA	NA
+PJ080512	SCNKRRR 	C34H66N18O10S	918.493	NA	PeJP	NA	NA
+PJ080513	GGSCKRRR 	C34H66N18O10S	918.4931	NA	PeJP	NA	NA
+PJ080514	APPHRRW 	C42H62N16O8	918.4937	NA	PeJP	NA	NA
+PJ080515	VKKEEMR 	C38H70N12O12S	918.4957	NA	PeJP	NA	NA
+PJ080516	SSLLKWW 	C46H66N10O10	918.4964	NA	PeJP	NA	NA
+PJ080517	GPMFRRR 	C39H66N16O8S	918.4971	NA	PeJP	NA	NA
+MJ097758	12-Oleanene-3,16,21,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 16-benzoyl 	C49H74O16	918.497686	NA	MeJP	NA	NA
+MJ097759	Gymnemic acid A1 	C49H74O16	918.497686	NA	MeJP	NA	NA
+MJ097760	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H74O16	918.497686	NA	MeJP	NA	NA
+PJ080518	TTTERRR 	C35H66N16O13	918.4996	NA	PeJP	NA	NA
+PJ080519	TLLQKMW 	C43H70N10O10S	918.4997	NA	PeJP	NA	NA
+PJ080520	VVKKEMW 	C43H70N10O10S	918.4998	NA	PeJP	NA	NA
+PJ080521	PPLLFFW 	C51H66N8O8	918.5004	NA	PeJP	NA	NA
+PJ080522	GTHHRRR 	C36H62N20O9	918.5009	NA	PeJP	NA	NA
+PJ080523	ATTLKKEE 	C39H70N10O15	918.5022	NA	PeJP	NA	NA
+PJ080524	SSLLDKKE 	C39H70N10O15	918.5023	NA	PeJP	NA	NA
+PJ080525	APTLKKMM 	C40H74N10O10S2	918.5031	NA	PeJP	NA	NA
+PJ080526	STTLRRW 	C40H66N14O11	918.5036	NA	PeJP	NA	NA
+PJ080527	PLLLMFW 	C48H70N8O8S	918.5038	NA	PeJP	NA	NA
+PJ080528	KHHRRW 	C41H62N18O7	918.5049	NA	PeJP	NA	NA
+PJ080529	APTLLLEY 	C44H70N8O13	918.5063	NA	PeJP	NA	NA
+PJ080530	SLKEMRR 	C37H70N14O11S	918.507	NA	PeJP	NA	NA
+PJ080531	LLLLMMW 	C45H74N8O8S2	918.5071	NA	PeJP	NA	NA
+PJ080532	GSKKKWW 	C45H66N12O9	918.5076	NA	PeJP	NA	NA
+PJ080533	STLLLLEM 	C41H74N8O13S	918.5096	NA	PeJP	NA	NA
+PJ080534	SVLKMRW 	C42H70N12O9S	918.511	NA	PeJP	NA	NA
+PJ080535	SSSLLKER 	C38H70N12O14	918.5135	NA	PeJP	NA	NA
+PJ080536	LLQKMMR 	C39H74N12O9S2	918.5144	NA	PeJP	NA	NA
+PJ080537	APTRRRY 	C39H66N16O10	918.5148	NA	PeJP	NA	NA
+PJ080538	GTTTLLKW 	C43H70N10O12	918.5175	NA	PeJP	NA	NA
+PJ080539	STLMRRR 	C36H70N16O10S	918.5182	NA	PeJP	NA	NA
+PJ080540	ALKKHHW 	C44H66N14O8	918.5188	NA	PeJP	NA	NA
+MJ097761	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6-O-?-L-arabinopyranoside, 16-O-?-D-glucopyranoside 	C46H78O18	918.518815	NA	MeJP	NA	NA
+MJ097762	Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside], 16-O-?-D-glucopyranoside 	C46H78O18	918.518815	NA	MeJP	NA	NA
+MJ097763	Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-xylopyranoside], 25-O-?-D-glucopyranoside 	C46H78O18	918.518815	NA	MeJP	NA	NA
+MJ097764	Cycloartane-3,6,16,24,25-pentol, 3,24-Di-O-?-D-xylopyranoside, 16-O-?-D-glucopyranoside 	C46H78O18	918.518815	NA	MeJP	NA	NA
+MJ097765	Cycloartane-3,6,16,24,25-pentol, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside 	C46H78O18	918.518815	NA	MeJP	NA	NA
+PJ080541	AALFRRW 	C44H66N14O8	918.5189	NA	PeJP	NA	NA
+PJ080542	GTLLKKEM 	C40H74N10O12S	918.5209	NA	PeJP	NA	NA
+PJ080543	VLLLEFW 	C48H70N8O10	918.5215	NA	PeJP	NA	NA
+PJ080544	ACKKKRW 	C41H70N14O8S	918.5222	NA	PeJP	NA	NA
+HMDB09923	PIP(16:0/18:0)	C43H84O16P2	918.523438	NA	HMDB2010	NA	NA
+HMDB09946	PIP(18:0/16:0)	C43H84O16P2	918.523438	NA	HMDB2010	NA	NA
+PJ080545	SSSTLLRR 	C37H70N14O13	918.5247	NA	PeJP	NA	NA
+PJ080546	GPLLLLMY 	C45H74N8O10S	918.5249	NA	PeJP	NA	NA
+PJ080547	VVKMMRR 	C38H74N14O8S2	918.5256	NA	PeJP	NA	NA
+PJ080548	EFRRRR 	C38H66N18O9	918.5261	NA	PeJP	NA	NA
+PJ080549	SVLLLLMM 	C42H78N8O10S2	918.5283	NA	PeJP	NA	NA
+PJ080550	SDKKKKW 	C42H70N12O11	918.5287	NA	PeJP	NA	NA
+PJ080551	GGGALLLRY 	C42H70N12O11	918.5288	NA	PeJP	NA	NA
+PJ080552	VFRRRW 	C43H66N16O7	918.5301	NA	PeJP	NA	NA
+PJ080553	GTTLLKMR 	C39H74N12O11S	918.5321	NA	PeJP	NA	NA
+PJ080554	PVVKKYW 	C47H70N10O9	918.5328	NA	PeJP	NA	NA
+MJ097766	Avermectin B1c; 22,23-Dihydro, 23S-hydroxy, O5-Me 	C50H78O15	918.534071	NA	MeJP	NA	NA
+MJ097767	Avermectin B1d; 22,23-Dihydro, 23S-hydroxy 	C50H78O15	918.534071	NA	MeJP	NA	NA
+PJ080555	ASSSKKRR 	C36H70N16O12	918.5359	NA	PeJP	NA	NA
+PJ080556	GSSTKKRR 	C36H70N16O12	918.536	NA	PeJP	NA	NA
+PJ080557	TLLKKMW 	C44H74N10O9S	918.5361	NA	PeJP	NA	NA
+PJ080558	STTLLKKE 	C40H74N10O14	918.5386	NA	PeJP	NA	NA
+PJ080559	GVLLKKMM 	C41H78N10O9S2	918.5395	NA	PeJP	NA	NA
+PJ080560	SSKKKRW 	C41H70N14O10	918.54	NA	PeJP	NA	NA
+PJ080561	GVLLLLEY 	C45H74N8O12	918.5427	NA	PeJP	NA	NA
+PJ080562	TQKKKMR 	C38H74N14O10S	918.5433	NA	PeJP	NA	NA
+PJ080563	GATKKKMR 	C38H74N14O10S	918.5434	NA	PeJP	NA	NA
+PJ080564	GLLKFRW 	C46H70N12O8	918.544	NA	PeJP	NA	NA
+PJ080565	AKKKKMW 	C43H74N12O8S	918.5474	NA	PeJP	NA	NA
+PJ080566	STTTLLKR 	C39H74N12O13	918.5499	NA	PeJP	NA	NA
+PJ080567	LLKKMMR 	C40H78N12O8S2	918.5507	NA	PeJP	NA	NA
+PJ080568	GVLRRRY 	C40H70N16O9	918.5512	NA	PeJP	NA	NA
+PJ080569	LLLLERY 	C44H74N10O11	918.5539	NA	PeJP	NA	NA
+PJ080570	TCKKKRR 	C37H74N16O9S	918.5546	NA	PeJP	NA	NA
+PJ080571	SSLLLKKM 	C41H78N10O11S	918.5573	NA	PeJP	NA	NA
+PJ080572	VLLLLYW 	C49H74N8O9	918.5579	NA	PeJP	NA	NA
+PJ080573	GTTTKKKR 	C38H74N14O12	918.5611	NA	PeJP	NA	NA
+PJ080574	GLLLLLMF 	C46H78N8O9S	918.5613	NA	PeJP	NA	NA
+PJ080575	LRRRRY 	C39H70N18O8	918.5624	NA	PeJP	NA	NA
+PJ080576	PVVHRRR 	C39H70N18O8	918.5625	NA	PeJP	NA	NA
+PJ080577	TTKKKKW 	C43H74N12O10	918.5651	NA	PeJP	NA	NA
+C11986	Megalomicin B	C46H82N2O16	918.5664	NA	KEGG	NA	NA
+MJ097768	Megalomicin A; 4A-Ac 	C46H82N2O16	918.566434	NA	MeJP	NA	NA
+PJ080578	KKKKKEM 	C40H78N12O10S	918.5685	NA	PeJP	NA	NA
+PJ080579	VVLKKFW 	C48H74N10O8	918.5691	NA	PeJP	NA	NA
+PJ080580	ALLKRRY 	C42H74N14O9	918.5764	NA	PeJP	NA	NA
+PJ080581	ATLLLLLY 	C46H78N8O11	918.579	NA	PeJP	NA	NA
+PJ080582	TKKKKMR 	C39H78N14O9S	918.5797	NA	PeJP	NA	NA
+PJ080583	SSTLKKKK 	C40H78N12O12	918.5863	NA	PeJP	NA	NA
+PJ080584	GKKKFRR 	C41H74N16O8	918.5876	NA	PeJP	NA	NA
+PJ080585	AALLLKKY 	C45H78N10O10	918.5903	NA	PeJP	NA	NA
+PJ080586	VLLKKRY 	C44H78N12O9	918.6015	NA	PeJP	NA	NA
+PJ080587	VVLLLLLH 	C46H82N10O9	918.6267	NA	PeJP	NA	NA
+MJ097769	1,2-Di-O-acylglycerols; Glycerol 2-(9Z-octadecenoate) 1-hexadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C49H90O15	918.627972	NA	MeJP	NA	NA
+PJ080588	LKKKKKF 	C45H82N12O8	918.6379	NA	PeJP	NA	NA
+HMDB05371	TG(16:0/20:0/20:0)[iso3]	C59H114O6	918.86151	http://www.hmdb.ca/metabolites/HMDB05371	HMDB	NA	NA
+HMDB05394	TG(18:0/18:0/20:0)[iso3]	C59H114O6	918.86151	http://www.hmdb.ca/metabolites/HMDB05394	HMDB	NA	NA
+HMDB05371	TG(16:0/20:0/20:0)[iso3]	C59H114O6	918.86151	HMDB05371	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05394	TG(18:0/18:0/20:0)[iso3]	C59H114O6	918.86151	HMDB05394	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05371	TG(16:0/20:0/20:0)[iso3]	C59H114O6	918.861511	NA	HMDB2010	NA	NA
+HMDB05394	TG(18:0/18:0/20:0)[iso3]	C59H114O6	918.861511	NA	HMDB2010	NA	NA
+MetaCyc04312	cis-dihydrodiol derivative of phenylacetyl-CoA []	C29H44N7O19P3S1	919.162552	NA	metacyc	NA	NA
+PJ080589	GSCCCCDDD 	C29H45N9O17S4	919.1817	NA	PeJP	NA	NA
+PJ080590	GPCCCCCCE 	C30H49N9O12S6	919.1825	NA	PeJP	NA	NA
+PJ080591	PCCCCCCW 	C34H49N9O9S6	919.1978	NA	PeJP	NA	NA
+C16466	7-Methyl-3-oxo-6-octenoyl-CoA	C30H48N7O18P3S	919.1989	NA	KEGG	NA	NA
+C16467	cis-Prenyl-tRNA	C15H22N5O8P	919.1989	NA	KEGG	NA	NA
+PJ080592	CCCCNDEM 	C30H49N9O14S5	919.2003	NA	PeJP	NA	NA
+C11538	Cobalt-sirohydrochlorin	C42H44CoN4O16	919.2084	NA	KEGG	NA	NA
+MetaCyc04313	cobalt-sirohydrochlorin [cobalt-factor II;]	C42H44N4O16COBALT1	919.208432	NA	metacyc	NA	NA
+PJ080593	CCCCCDDR 	C29H49N11O13S5	919.2115	NA	PeJP	NA	NA
+PJ080594	GCCCCDMW 	C34H49N9O11S5	919.2156	NA	PeJP	NA	NA
+PJ080595	GSSCCCDDM 	C30H49N9O16S4	919.2181	NA	PeJP	NA	NA
+PJ080596	GPTCCCCCM 	C31H53N9O11S6	919.2189	NA	PeJP	NA	NA
+PJ080597	SSSCCCCNN 	C29H49N11O15S4	919.2293	NA	PeJP	NA	NA
+PJ080598	SSCCCCEW 	C34H49N9O13S4	919.2333	NA	PeJP	NA	NA
+HMDB01291	trans-D-Decenoyl-CoA	C31H52N7O17P3S	919.23529	http://www.hmdb.ca/metabolites/HMDB01291	HMDB	NA	NA
+HMDB02137	trans-3-Decenoyl-CoA	C31H52N7O17P3S	919.23529	http://www.hmdb.ca/metabolites/HMDB02137	HMDB	NA	NA
+HMDB02145	4-cis-Decenoyl-CoA	C31H52N7O17P3S	919.23529	http://www.hmdb.ca/metabolites/HMDB02145	HMDB	NA	NA
+HMDB03948	(2E)-Decenoyl-CoA	C31H52N7O17P3S	919.23529	http://www.hmdb.ca/metabolites/HMDB03948	HMDB	NA	NA
+HMDB01291	trans-D-Decenoyl-CoA	C31H52N7O17P3S	919.23529	HMDB01291	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02137	trans-3-Decenoyl-CoA	C31H52N7O17P3S	919.23529	HMDB02137	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02145	4-cis-Decenoyl-CoA	C31H52N7O17P3S	919.23529	HMDB02145	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03948	(2E)-Decenoyl-CoA	C31H52N7O17P3S	919.23529	HMDB03948	PFEM_hmdb_metabocards_official	NA	NA
+C05275	trans-Dec-2-enoyl-CoA	C31H52N7O17P3S	919.2353	NA	KEGG	NA	NA
+C16464	Citronellyl-CoA	C31H52N7O17P3S	919.2353	NA	KEGG	NA	NA
+MetaCyc04314	trans-&Delta;2-decenoyl-CoA [trans-Dec-2-enoyl-CoA;]	C31H52N7O17P3S1	919.235324	NA	metacyc	NA	NA
+HMDB01291	trans-D-Decenoyl-CoA	C31H52N7O17P3S	919.235352	NA	HMDB2010	NA	NA
+HMDB02137	trans-3-Decenoyl-CoA	C31H52N7O17P3S	919.235352	NA	HMDB2010	NA	NA
+HMDB02145	4-cis-Decenoyl-CoA	C31H52N7O17P3S	919.235352	NA	HMDB2010	NA	NA
+HMDB03948	(2E)-Decenoyl-CoA	C31H52N7O17P3S	919.235352	NA	HMDB2010	NA	NA
+PJ080599	SSSSCCCDE 	C30H49N9O18S3	919.2358	NA	PeJP	NA	NA
+PJ080600	SCCCNEMM 	C31H53N9O13S5	919.2367	NA	PeJP	NA	NA
+PJ080601	CCCCYYY 	C39H49N7O11S4	919.2373	NA	PeJP	NA	NA
+PJ080602	CCCCNNNF 	C33H49N11O12S4	919.2445	NA	PeJP	NA	NA
+PJ080603	GGGGCCCCNF 	C33H49N11O12S4	919.2446	NA	PeJP	NA	NA
+PJ080604	SCCCCDMR 	C30H53N11O12S5	919.2479	NA	PeJP	NA	NA
+C16294	Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside	C42H47O23	919.2508	NA	KEGG	NA	NA
+FL7AAAGL0029	Pelargonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside	C42H47O23	919.25081	154850-21-2	knapsack	NA	NA
+FL7AAAGL0048	Pelargonidin 3-(6''-caffeylsophoroside)-5-glucoside;Pelargonidin 3-O-(6-O-(trans-caffeyl)-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside)-5-O-(beta-D-glucopyranoside)	C42H47O23	919.25081	140614-88-6	knapsack	NA	NA
+FL7AACGA0010	Cyanidin 3-[6-(6-ferulylglucosyl)-2-xylosylgalactoside]	C42H47O23	919.25081	59942-72-2	knapsack	NA	NA
+FL7AACGL0066	Cyanidin 3-(6''-p-coumarylsophoroside)-5-glucoside	C42H47O23	919.25081	119722-80-4<BR>107500-81-2	knapsack	NA	NA
+FL7AACGL0080	Cyanidin 3-(4'''-caffeylrutinoside)-5-glucoside	C42H47O23	919.25081	62024-15-1	knapsack	NA	NA
+FL7AACGL0112	Cyanidin 3-O-(6-O-(E)-feruloyl-beta-D-glucopyranosyl)-2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside)	C42H47O23	919.25081	-	knapsack	NA	NA
+FL7AAGGA0008	Delphinidin 3-robinobioside-5-(6-(E)-p-coumarylglucoside)	C42H47O23	919.25081	151676-98-1	knapsack	NA	NA
+FL7AAGGL0028	Violanin;Delphinidin 3-[6-(4-(E)-p-coumarylrhamnosyl)glucoside]-5-glucoside	C42H47O23	919.25081	28463-30-1<BR>108266-61-1	knapsack	NA	NA
+FL7AAGGL0050	Delphinidin 3-[6-(4-(Z)-p-coumarylrhamnosyl)glucoside]-5-glucoside	C42H47O23	919.25081	207514-92-9	knapsack	NA	NA
+FL7AAGGL0062	Delphinidin 3-rutinoside-5-(6-(Z)-p-coumaroylglucoside)	C42H47O23	919.25081	178737-75-2	knapsack	NA	NA
+PJ080605	GCCNDDMY 	C34H49N9O15S3	919.2511	NA	PeJP	NA	NA
+PJ080606	GSCCCMMW 	C35H53N9O10S5	919.2519	NA	PeJP	NA	NA
+PJ080607	GSSSCCDMM 	C31H53N9O15S4	919.2544	NA	PeJP	NA	NA
+PJ080608	GCCNMMMM 	C32H57N9O10S6	919.2553	NA	PeJP	NA	NA
+PJ080609	SCCCCQHH 	C32H49N13O11S4	919.2558	NA	PeJP	NA	NA
+PJ080610	SCNDDDDH 	C32H45N11O19S	919.2614	NA	PeJP	NA	NA
+PJ080611	SCCCNNNY 	C33H49N11O14S3	919.2623	NA	PeJP	NA	NA
+PJ080612	CCCNEYW 	C38H49N9O12S3	919.2663	NA	PeJP	NA	NA
+PJ080613	ACCCCMMR 	C31H57N11O9S6	919.2665	NA	PeJP	NA	NA
+PJ080614	PNDDDDDD 	C33H45N9O22	919.268	NA	PeJP	NA	NA
+PJ080615	SSCCNDEY 	C34H49N9O17S2	919.2688	NA	PeJP	NA	NA
+PJ080616	SSTCCCMW 	C35H53N9O12S4	919.2697	NA	PeJP	NA	NA
+FL7AACGL0021	Cyaniden 3-rutinoside-5,3'-diglucoside	C39H51O25	919.27194	-	knapsack	NA	NA
+PJ080617	DDDDDYY 	C38H45N7O20	919.272	NA	PeJP	NA	NA
+PJ080618	SSSSSCCEM 	C31H53N9O17S3	919.2722	NA	PeJP	NA	NA
+PJ080619	SSCCQMMM 	C32H57N9O12S5	919.2731	NA	PeJP	NA	NA
+PJ080620	GSSSCCCHH 	C32H49N13O13S3	919.2735	NA	PeJP	NA	NA
+PJ080621	DDDMMMY 	C36H53N7O15S3	919.2762	NA	PeJP	NA	NA
+PJ080622	GPCCCDHW 	C37H49N11O11S3	919.2776	NA	PeJP	NA	NA
+PJ080623	GCNDDEMH 	C33H49N11O16S2	919.2801	NA	PeJP	NA	NA
+PJ080624	DMMMMMM 	C34H61N7O10S6	919.2805	NA	PeJP	NA	NA
+PJ080625	GCCCCEFR 	C34H53N11O11S4	919.2809	NA	PeJP	NA	NA
+PJ080626	GCCCYWW 	C42H49N9O9S3	919.2816	NA	PeJP	NA	NA
+PJ080627	GSSCCDYW 	C38H49N9O14S2	919.2841	NA	PeJP	NA	NA
+PJ080628	SSCCCMMR 	C31H57N11O11S5	919.2843	NA	PeJP	NA	NA
+PJ080629	CCCQMFW 	C39H53N9O9S4	919.2849	NA	PeJP	NA	NA
+PJ080630	GACCCMFW 	C39H53N9O9S4	919.285	NA	PeJP	NA	NA
+PJ080631	GSSSSCDDY 	C34H49N9O19S	919.2866	NA	PeJP	NA	NA
+PJ080632	GSCNDMMY 	C35H53N9O14S3	919.2874	NA	PeJP	NA	NA
+PJ080633	GGGSCDMMY 	C35H53N9O14S3	919.2875	NA	PeJP	NA	NA
+PJ080634	GCCCNHHF 	C36H49N13O10S3	919.2888	NA	PeJP	NA	NA
+PJ080635	DDDDMFY 	C39H49N7O17S	919.2906	NA	PeJP	NA	NA
+PJ080636	GSSSSCMMM 	C32H57N9O14S4	919.2908	NA	PeJP	NA	NA
+PJ080637	GCCDDDHR 	C32H49N13O15S2	919.2913	NA	PeJP	NA	NA
+PJ080638	ACCCKMMM 	C33H61N9O9S6	919.2917	NA	PeJP	NA	NA
+PJ080639	SCCCCKHH 	C33H53N13O10S4	919.2922	NA	PeJP	NA	NA
+PJ080640	DDMMMMF 	C37H57N7O12S4	919.2948	NA	PeJP	NA	NA
+PJ080641	CNDDMHW 	C37H49N11O13S2	919.2953	NA	PeJP	NA	NA
+PJ080642	CCCCFRW 	C38H53N11O8S4	919.2962	NA	PeJP	NA	NA
+PJ080643	SSNDDDMH 	C33H49N11O18S	919.2978	NA	PeJP	NA	NA
+PJ080644	GSCCCERY 	C34H53N11O13S3	919.2987	NA	PeJP	NA	NA
+PJ080645	CMMMMHH 	C35H57N11O8S5	919.2996	NA	PeJP	NA	NA
+PJ080646	CNNDEYY 	C38H49N9O16S	919.3018	NA	PeJP	NA	NA
+PJ080647	SCCQMYW 	C39H53N9O11S3	919.3027	NA	PeJP	NA	NA
+PJ080648	SPNDDDEE 	C34H49N9O21	919.3043	NA	PeJP	NA	NA
+PJ080649	GGPTDDDDE 	C34H49N9O21	919.3044	NA	PeJP	NA	NA
+PJ080650	SSSCNEMY 	C35H53N9O16S2	919.3052	NA	PeJP	NA	NA
+PJ080651	CNQMMMY 	C36H57N9O11S4	919.3061	NA	PeJP	NA	NA
+PJ080652	GSCCNNHW 	C36H49N13O12S2	919.3065	NA	PeJP	NA	NA
+PJ080653	GGGSCCNHW 	C36H49N13O12S2	919.3066	NA	PeJP	NA	NA
+PJ080654	SDDEEYY 	C39H49N7O19	919.3083	NA	PeJP	NA	NA
+PJ080655	TDDDEYY 	C39H49N7O19	919.3084	NA	PeJP	NA	NA
+PJ080656	SSSSSTCMM 	C32H57N9O16S3	919.3086	NA	PeJP	NA	NA
+PJ080657	GSSSCNNDH 	C32H49N13O17S	919.309	NA	PeJP	NA	NA
+PJ080658	GGGSSSCNDH 	C32H49N13O17S	919.3091	NA	PeJP	NA	NA
+PJ080659	PCDEMYY 	C40H53N7O14S2	919.3092	NA	PeJP	NA	NA
+PJ080660	SSCCKMMM 	C33H61N9O11S5	919.3094	NA	PeJP	NA	NA
+PJ080661	SPCCCDHR 	C33H53N13O12S3	919.3099	NA	PeJP	NA	NA
+PJ080662	GCCEHWW 	C41H49N11O10S2	919.3106	NA	PeJP	NA	NA
+PJ080663	SEEMMMY 	C37H57N7O14S3	919.3126	NA	PeJP	NA	NA
+PJ080664	GSSCDEHW 	C37H49N11O15S	919.3131	NA	PeJP	NA	NA
+PJ080665	SCCCRYW 	C38H53N11O10S3	919.3139	NA	PeJP	NA	NA
+PJ080666	GGPPCCCHF 	C38H53N11O10S3	919.314	NA	PeJP	NA	NA
+PJ080667	GSSSSDDEH 	C33H49N11O20	919.3156	NA	PeJP	NA	NA
+PJ080668	SSSCCDRY 	C34H53N11O15S2	919.3164	NA	PeJP	NA	NA
+PJ080669	PPCCDDDR 	C34H53N11O15S2	919.3165	NA	PeJP	NA	NA
+PJ080670	GCNDYYW 	C42H49N9O13S	919.3171	NA	PeJP	NA	NA
+PJ080671	CCNMMRY 	C35H57N11O10S4	919.3173	NA	PeJP	NA	NA
+PJ080672	GSPDDDEW 	C38H49N9O18	919.3196	NA	PeJP	NA	NA
+PJ080673	CNNNNNNN 	C31H49N15O16S	919.3203	NA	PeJP	NA	NA
+PJ080674	GSSSCMYW 	C39H53N9O13S2	919.3205	NA	PeJP	NA	NA
+PJ080675	GCCCNQHR 	C32H53N15O11S3	919.3212	NA	PeJP	NA	NA
+PJ080676	CCCKMFW 	C40H57N9O8S4	919.3213	NA	PeJP	NA	NA
+PJ080677	ASSSSSCEY 	C35H53N9O18S	919.3229	NA	PeJP	NA	NA
+PJ080678	GSSSSSDMY 	C35H53N9O18S	919.323	NA	PeJP	NA	NA
+PJ080679	DDDDFFF 	C43H49N7O16	919.3236	NA	PeJP	NA	NA
+PJ080680	GSSNMMMY 	C36H57N9O13S3	919.3238	NA	PeJP	NA	NA
+PJ080681	GCNNNDHF 	C36H49N13O14S	919.3243	NA	PeJP	NA	NA
+PJ080682	CCHWWW 	C45H49N11O7S2	919.3258	NA	PeJP	NA	NA
+PJ080683	GNNDDDDR 	C32H49N13O19	919.3268	NA	PeJP	NA	NA
+PJ080684	GEEEMYY 	C40H53N7O16S	919.327	NA	PeJP	NA	NA
+PJ080685	GSCDDMHR 	C33H53N13O14S2	919.3277	NA	PeJP	NA	NA
+PJ080686	PCEMMFY 	C41H57N7O11S3	919.3278	NA	PeJP	NA	NA
+PJ080687	SSCDHWW 	C41H49N11O12S	919.3283	NA	PeJP	NA	NA
+PJ080688	APCCCMHR 	C34H57N13O9S4	919.3286	NA	PeJP	NA	NA
+PJ080689	SSSSDDHW 	C37H49N11O17	919.3308	NA	PeJP	NA	NA
+PJ080690	GGGGGGDEEW 	C37H49N11O17	919.3309	NA	PeJP	NA	NA
+PJ080691	VDMMMMY 	C38H61N7O11S4	919.3312	NA	PeJP	NA	NA
+PJ080692	SNDMMHW 	C38H53N11O12S2	919.3317	NA	PeJP	NA	NA
+PJ080693	CCHHHHF 	C39H49N15O8S2	919.333	NA	PeJP	NA	NA
+PJ080694	GPDDDDMR 	C34H53N11O17S	919.3342	NA	PeJP	NA	NA
+PJ080695	SPDDDWW 	C42H49N9O15	919.3348	NA	PeJP	NA	NA
+PJ080696	GSTCCMRY 	C35H57N11O12S3	919.3351	NA	PeJP	NA	NA
+PJ080697	GSCNEHHH 	C35H49N15O13S	919.3355	NA	PeJP	NA	NA
+PJ080698	GGGSCEHHH 	C35H49N15O13S	919.3356	NA	PeJP	NA	NA
+PJ080699	PPCCEWW 	C43H53N9O10S2	919.3357	NA	PeJP	NA	NA
+MJ097770	Amanitin; ?-Amanitin 	C39H53N9O15S	919.338182	NA	MeJP	NA	NA
+PJ080700	SSSSTCYW 	C39H53N9O15S	919.3382	NA	PeJP	NA	NA
+PJ080701	SSCCNNHR 	C32H53N15O13S2	919.3389	NA	PeJP	NA	NA
+PJ080702	SCCKMYW 	C40H57N9O10S3	919.3391	NA	PeJP	NA	NA
+PJ080703	SSSSSSSEY 	C35H53N9O20	919.3407	NA	PeJP	NA	NA
+PJ080704	SSSSQMMY 	C36H57N9O15S2	919.3416	NA	PeJP	NA	NA
+PJ080705	GSNNNNDW 	C36H49N13O16	919.3421	NA	PeJP	NA	NA
+PJ080706	EEMYYW 	C44H53N7O13S	919.3422	NA	PeJP	NA	NA
+PJ080707	CNKMMMY 	C37H61N9O10S4	919.3424	NA	PeJP	NA	NA
+PJ080708	GGCKMMMY 	C37H61N9O10S4	919.3425	NA	PeJP	NA	NA
+PJ080709	SCCEHRW 	C37H53N13O11S2	919.3429	NA	PeJP	NA	NA
+PJ080710	STEEEYY 	C40H53N7O18	919.3447	NA	PeJP	NA	NA
+PJ080711	SSSCDEHR 	C33H53N13O16S	919.3454	NA	PeJP	NA	NA
+PJ080712	GGGGSPCDDR 	C33H53N13O16S	919.3455	NA	PeJP	NA	NA
+PJ080713	SPEMMYY 	C41H57N7O13S2	919.3456	NA	PeJP	NA	NA
+PJ080714	GNNDEWW 	C41H49N11O14	919.3461	NA	PeJP	NA	NA
+PJ080715	CNEMMHR 	C34H57N13O11S3	919.3463	NA	PeJP	NA	NA
+PJ080716	ASCMHWW 	C42H53N11O9S2	919.3469	NA	PeJP	NA	NA
+PJ080717	GTCMHWW 	C42H53N11O9S2	919.347	NA	PeJP	NA	NA
+PJ080718	SCNDRYY 	C38H53N11O14S	919.3494	NA	PeJP	NA	NA
+PJ080719	PCDDERW 	C38H53N11O14S	919.3495	NA	PeJP	NA	NA
+PJ080720	VMMMMMF 	C39H65N7O8S5	919.3499	NA	PeJP	NA	NA
+PJ080721	GQMMMHW 	C39H57N11O9S3	919.3503	NA	PeJP	NA	NA
+PJ080722	SCNHHHW 	C39H49N15O10S	919.3508	NA	PeJP	NA	NA
+PJ080723	ASSSSSEEH 	C34H53N11O19	919.3519	NA	PeJP	NA	NA
+PJ080724	NDEEEER 	C34H53N11O19	919.352	NA	PeJP	NA	NA
+PJ080725	SSSSCMRY 	C35H57N11O14S2	919.3528	NA	PeJP	NA	NA
+PJ080726	GGGGGGAPEMM 	C35H57N11O14S2	919.3529	NA	PeJP	NA	NA
+PJ080727	SSSNDHHH 	C35H49N15O15	919.3533	NA	PeJP	NA	NA
+PJ080728	GPDEMWW 	C43H53N9O12S	919.3535	NA	PeJP	NA	NA
+PJ080729	APCCKMMH 	C36H61N11O9S4	919.3537	NA	PeJP	NA	NA
+PJ080730	NNMMHHH 	C36H53N15O10S2	919.3542	NA	PeJP	NA	NA
+PJ080731	AQEEEEW 	C39H53N9O17	919.356	NA	PeJP	NA	NA
+PJ080732	GCNNNNER 	C32H53N15O15S	919.3567	NA	PeJP	NA	NA
+PJ080733	SPPVCCEW 	C40H57N9O12S2	919.3568	NA	PeJP	NA	NA
+PJ080734	GSPPDMMW 	C40H57N9O12S2	919.3569	NA	PeJP	NA	NA
+PJ080735	PNDDHHW 	C40H49N13O13	919.3573	NA	PeJP	NA	NA
+PJ080736	CCDMHRR 	C33H57N15O10S3	919.3575	NA	PeJP	NA	NA
+PJ080737	GGGCCCKHR 	C33H57N15O10S3	919.3576	NA	PeJP	NA	NA
+PJ080738	GSSSSTTMY 	C36H57N9O17S	919.3593	NA	PeJP	NA	NA
+PJ080739	GPTQEEEM 	C36H57N9O17S	919.3594	NA	PeJP	NA	NA
+PJ080740	GPEEYYY 	C44H53N7O15	919.36	NA	PeJP	NA	NA
+PJ080741	GSTCKMMY 	C37H61N9O12S3	919.3602	NA	PeJP	NA	NA
+PJ080742	NNNNQMW 	C37H53N13O13S	919.3607	NA	PeJP	NA	NA
+PJ080743	PPCMFYY 	C45H57N7O10S2	919.3609	NA	PeJP	NA	NA
+PJ080744	NNDWWW 	C45H49N11O11	919.3613	NA	PeJP	NA	NA
+PJ080745	GGGGDWWW 	C45H49N11O11	919.3614	NA	PeJP	NA	NA
+PJ080746	GCMMHRW 	C38H57N13O8S3	919.3616	NA	PeJP	NA	NA
+PJ080747	DDDDERR 	C33H53N13O18	919.3632	NA	PeJP	NA	NA
+PJ080748	SVEEMYY 	C41H57N7O15S	919.3634	NA	PeJP	NA	NA
+PJ080749	GSSDMMHR 	C34H57N13O13S2	919.3641	NA	PeJP	NA	NA
+PJ080750	PCLMMYY 	C42H61N7O10S3	919.3642	NA	PeJP	NA	NA
+PJ080751	GNNNNNHH 	C34H49N17O14	919.3645	NA	PeJP	NA	NA
+PJ080752	GGGGGGGNNHH 	C34H49N17O14	919.3646	NA	PeJP	NA	NA
+PJ080753	SSSMHWW 	C42H53N11O11S	919.3647	NA	PeJP	NA	NA
+PJ080754	CCQHHHR 	C35H53N17O9S2	919.3654	NA	PeJP	NA	NA
+PJ080755	GDEEERW 	C38H53N11O16	919.3672	NA	PeJP	NA	NA
+PJ080756	TLMMMMY 	C39H65N7O10S4	919.3676	NA	PeJP	NA	NA
+PJ080757	STQMMHW 	C39H57N11O11S2	919.3681	NA	PeJP	NA	NA
+PJ080758	NNDHHHF 	C39H49N15O12	919.3686	NA	PeJP	NA	NA
+PJ080759	PDMWWW 	C47H53N9O9S	919.3687	NA	PeJP	NA	NA
+PJ080760	GSPDEEMR 	C35H57N11O16S	919.3706	NA	PeJP	NA	NA
+PJ080761	AAEEEWW 	C43H53N9O14	919.3712	NA	PeJP	NA	NA
+PJ080762	NKEMMMH 	C36H61N11O11S3	919.3714	NA	PeJP	NA	NA
+PJ080763	GPPCEMMR 	C36H61N11O11S3	919.3715	NA	PeJP	NA	NA
+PJ080764	CNNNNRW 	C36H53N15O12S	919.3719	NA	PeJP	NA	NA
+PJ080765	GGGGGGGGCRW 	C36H53N15O12S	919.372	NA	PeJP	NA	NA
+PJ080766	PPTCMWW 	C44H57N9O9S2	919.3721	NA	PeJP	NA	NA
+PJ080767	SSNNNNDR 	C32H53N15O17	919.3744	NA	PeJP	NA	NA
+PJ080768	GGGGGGGGSSDR 	C32H53N15O17	919.3745	NA	PeJP	NA	NA
+PJ080769	PTQEEMW 	C40H57N9O14S	919.3746	NA	PeJP	NA	NA
+PJ080770	PEYYYW 	C48H53N7O12	919.3752	NA	PeJP	NA	NA
+PJ080771	EEFFYW 	C48H53N7O12	919.3753	NA	PeJP	NA	NA
+PJ080772	PPQMMMW 	C41H61N9O9S3	919.3755	NA	PeJP	NA	NA
+PJ080773	GCDHFRW 	C41H53N13O10S	919.3759	NA	PeJP	NA	NA
+PJ080774	GSPPCHHW 	C41H53N13O10S	919.376	NA	PeJP	NA	NA
+PJ080775	SSSSSTTTY 	C36H57N9O19	919.3771	NA	PeJP	NA	NA
+PJ080776	SSSSKMMY 	C37H61N9O14S2	919.378	NA	PeJP	NA	NA
+PJ080777	SNNDERW 	C37H53N13O15	919.3784	NA	PeJP	NA	NA
+PJ080778	GGSNDERW 	C37H53N13O15	919.3785	NA	PeJP	NA	NA
+PJ080779	SPPMYYY 	C45H57N7O12S	919.3786	NA	PeJP	NA	NA
+PJ080780	STCMHRW 	C38H57N13O10S2	919.3793	NA	PeJP	NA	NA
+PJ080781	SEHHHHH 	C38H49N17O11	919.3798	NA	PeJP	NA	NA
+PJ080782	NMHFWW 	C46H53N11O8S	919.38	NA	PeJP	NA	NA
+PJ080783	SSSSEMHR 	C34H57N13O15S	919.3818	NA	PeJP	NA	NA
+PJ080784	GGGGGGGGGKEM 	C34H57N13O15S	919.3819	NA	PeJP	NA	NA
+PJ080785	ALEMMYY 	C42H61N7O12S2	919.382	NA	PeJP	NA	NA
+PJ080786	DEERWW 	C42H53N11O13	919.3825	NA	PeJP	NA	NA
+PJ080787	SQMMMHR 	C35H61N13O10S3	919.3827	NA	PeJP	NA	NA
+PJ080788	GSSCHHHR 	C35H53N17O11S	919.3832	NA	PeJP	NA	NA
+PJ080789	PCCKHFW 	C43H57N11O8S2	919.3833	NA	PeJP	NA	NA
+PJ080790	SPDEMRW 	C39H57N11O13S	919.3858	NA	PeJP	NA	NA
+PJ080791	GGGGVQEMW 	C39H57N11O13S	919.3859	NA	PeJP	NA	NA
+PJ080792	VDEWWW 	C47H53N9O11	919.3865	NA	PeJP	NA	NA
+PJ080793	PPCMMRW 	C40H61N11O8S3	919.3867	NA	PeJP	NA	NA
+PJ080794	TQEEEER 	C35H57N11O18	919.3883	NA	PeJP	NA	NA
+PJ080795	GATEEEER 	C35H57N11O18	919.3884	NA	PeJP	NA	NA
+PJ080796	PQEEMMR 	C36H61N11O13S2	919.3892	NA	PeJP	NA	NA
+PJ080797	GSPDDHHR 	C36H53N15O14	919.3897	NA	PeJP	NA	NA
+PJ080798	APTEMWW 	C44H57N9O11S	919.3899	NA	PeJP	NA	NA
+PJ080799	APPCCHHR 	C37H57N15O9S2	919.3906	NA	PeJP	NA	NA
+PJ080800	GSTTTQYY 	C40H57N9O16	919.3923	NA	PeJP	NA	NA
+PJ080801	AKEEEEW 	C40H57N9O16	919.3924	NA	PeJP	NA	NA
+PJ080802	NNDDMRR 	C33H57N15O14S	919.393	NA	PeJP	NA	NA
+PJ080803	GGNDDMRR 	C33H57N15O14S	919.3931	NA	PeJP	NA	NA
+PJ080804	PVQEMMW 	C41H61N9O11S2	919.3932	NA	PeJP	NA	NA
+PJ080805	GSNDRWW 	C41H53N13O12	919.3937	NA	PeJP	NA	NA
+PJ080806	PPCFFFY 	C49H57N7O9S	919.3939	NA	PeJP	NA	NA
+PJ080807	GPTKEEEM 	C37H61N9O16S	919.3957	NA	PeJP	NA	NA
+PJ080808	GGGVLEEEM 	C37H61N9O16S	919.3958	NA	PeJP	NA	NA
+PJ080809	SPVEYYY 	C45H57N7O14	919.3964	NA	PeJP	NA	NA
+PJ080810	GPPKEMMM 	C38H65N9O11S3	919.3966	NA	PeJP	NA	NA
+PJ080811	GNQEMRW 	C38H57N13O12S	919.3971	NA	PeJP	NA	NA
+PJ080812	PCLMFFY 	C46H61N7O9S2	919.3973	NA	PeJP	NA	NA
+PJ080813	SQQWWW 	C46H53N11O10	919.3977	NA	PeJP	NA	NA
+PJ080814	CLHHHHH 	C39H53N17O8S	919.3984	NA	PeJP	NA	NA
+PJ080815	SDEEERR 	C34H57N13O17	919.3996	NA	PeJP	NA	NA
+PJ080816	TTLEMYY 	C42H61N7O14S	919.3997	NA	PeJP	NA	NA
+PJ080817	GSTTMMHR 	C35H61N13O12S2	919.4004	NA	PeJP	NA	NA
+PJ080818	PDDMMRR 	C35H61N13O12S2	919.4005	NA	PeJP	NA	NA
+PJ080819	VVMMMFY 	C43H65N7O9S3	919.4006	NA	PeJP	NA	NA
+PJ080820	NNNEHHR 	C35H53N17O13	919.4009	NA	PeJP	NA	NA
+PJ080821	AAQQMWW 	C43H57N11O10S	919.4011	NA	PeJP	NA	NA
+PJ080822	CCKHHHR 	C36H57N17O8S2	919.4018	NA	PeJP	NA	NA
+PJ080823	ATEEERW 	C39H57N11O15	919.4036	NA	PeJP	NA	NA
+PJ080824	GSCNNNRR 	C32H57N17O13S	919.4043	NA	PeJP	NA	NA
+PJ080825	APEMMRW 	C40H61N11O10S2	919.4045	NA	PeJP	NA	NA
+PJ080826	GQQQHHW 	C40H53N15O11	919.4049	NA	PeJP	NA	NA
+PJ080827	GGGAAQHHW 	C40H53N15O11	919.405	NA	PeJP	NA	NA
+PJ080828	GPPMFWW 	C48H57N9O8S	919.4051	NA	PeJP	NA	NA
+PJ080829	VQEEEMR 	C36H61N11O15S	919.407	NA	PeJP	NA	NA
+PJ080830	GTLEEWW 	C44H57N9O13	919.4076	NA	PeJP	NA	NA
+PJ080831	GPPTMMMR 	C37H65N11O10S3	919.4078	NA	PeJP	NA	NA
+PJ080832	GGPPCCKKM 	C37H65N11O10S3	919.4079	NA	PeJP	NA	NA
+PJ080833	GCNERRW 	C37H57N15O11S	919.4083	NA	PeJP	NA	NA
+PJ080834	GPLMMWW 	C45H61N9O8S2	919.4085	NA	PeJP	NA	NA
+PJ080835	GPTHHWW 	C45H53N13O9	919.409	NA	PeJP	NA	NA
+PJ080836	GSSNDERR 	C33H57N15O16	919.4108	NA	PeJP	NA	NA
+PJ080837	PTKEEMW 	C41H61N9O13S	919.411	NA	PeJP	NA	NA
+PJ080838	LEFYYW 	C49H57N7O11	919.4116	NA	PeJP	NA	NA
+PJ080839	GSPCNMRR 	C34H61N15O11S2	919.4117	NA	PeJP	NA	NA
+PJ080840	PPKMMMW 	C42H65N9O8S3	919.4119	NA	PeJP	NA	NA
+PJ080841	NQMRWW 	C42H57N13O9S	919.4123	NA	PeJP	NA	NA
+PJ080842	HHFFFW 	C50H53N11O7	919.413	NA	PeJP	NA	NA
+PJ080843	KKEEEEE 	C37H61N9O18	919.4135	NA	PeJP	NA	NA
+PJ080844	GPVKEEMM 	C38H65N9O13S2	919.4144	NA	PeJP	NA	NA
+PJ080845	SSQQERW 	C38H57N13O14	919.4148	NA	PeJP	NA	NA
+PJ080846	GGGGGGASSKW 	C38H57N13O14	919.4149	NA	PeJP	NA	NA
+PJ080847	APLMYYY 	C46H61N7O11S	919.415	NA	PeJP	NA	NA
+PJ080848	PCCQKRW 	C39H61N13O9S2	919.4157	NA	PeJP	NA	NA
+PJ080849	GNNHHRW 	C39H53N17O10	919.4162	NA	PeJP	NA	NA
+PJ080850	AEEEMRR 	C35H61N13O14S	919.4182	NA	PeJP	NA	NA
+PJ080851	SLLMMYY 	C43H65N7O11S2	919.4184	NA	PeJP	NA	NA
+PJ080852	ASNKEWW 	C43H57N11O12	919.4188	NA	PeJP	NA	NA
+PJ080853	GSQKEWW 	C43H57N11O12	919.4189	NA	PeJP	NA	NA
+PJ080854	SKMMMHR 	C36H65N13O9S3	919.4191	NA	PeJP	NA	NA
+PJ080855	PCDHHRR 	C36H57N17O10S	919.4196	NA	PeJP	NA	NA
+PJ080856	GLEEMRW 	C40H61N11O12S	919.4222	NA	PeJP	NA	NA
+PJ080857	GGGGGGAPLMF 	C40H61N11O12S	919.4223	NA	PeJP	NA	NA
+PJ080858	TLEWWW 	C48H57N9O10	919.4229	NA	PeJP	NA	NA
+PJ080859	CNRRWW 	C41H57N15O8S	919.4236	NA	PeJP	NA	NA
+PJ080860	TKEEEER 	C36H61N11O17	919.4247	NA	PeJP	NA	NA
+PJ080861	PKEEMMR 	C37H65N11O12S2	919.4256	NA	PeJP	NA	NA
+PJ080862	SSNDRRW 	C37H57N15O13	919.4261	NA	PeJP	NA	NA
+PJ080863	AVVEMWW 	C45H61N9O10S	919.4262	NA	PeJP	NA	NA
+PJ080864	GVLEMWW 	C45H61N9O10S	919.4263	NA	PeJP	NA	NA
+PJ080865	ACMHFRR 	C38H61N15O8S2	919.4269	NA	PeJP	NA	NA
+PJ080866	SLKEEEW 	C41H61N9O15	919.4287	NA	PeJP	NA	NA
+PJ080867	TLDKEEW 	C41H61N9O15	919.4288	NA	PeJP	NA	NA
+PJ080868	SNQEMRR 	C34H61N15O13S	919.4294	NA	PeJP	NA	NA
+PJ080869	GGGGTEMRR 	C34H61N15O13S	919.4295	NA	PeJP	NA	NA
+PJ080870	PVKEMMW 	C42H65N9O10S2	919.4296	NA	PeJP	NA	NA
+PJ080871	GSTQRWW 	C42H57N13O11	919.4301	NA	PeJP	NA	NA
+PJ080872	PCLFFFF 	C50H61N7O8S	919.4303	NA	PeJP	NA	NA
+PJ080873	AALKEEEM 	C38H65N9O15S	919.4321	NA	PeJP	NA	NA
+PJ080874	GLLEYYY 	C46H61N7O13	919.4328	NA	PeJP	NA	NA
+PJ080875	SPPVKMMM 	C39H69N9O10S3	919.433	NA	PeJP	NA	NA
+PJ080876	ATQQMRW 	C39H61N13O11S	919.4334	NA	PeJP	NA	NA
+PJ080877	GNKEMRW 	C39H61N13O11S	919.4335	NA	PeJP	NA	NA
+PJ080878	VVMMFFF 	C47H65N7O8S2	919.4336	NA	PeJP	NA	NA
+PJ080879	SQKWWW 	C47H57N11O9	919.4341	NA	PeJP	NA	NA
+PJ080880	SSSLNQER 	C35H61N13O16	919.4359	NA	PeJP	NA	NA
+PJ080881	TTEEERR 	C35H61N13O16	919.436	NA	PeJP	NA	NA
+PJ080882	PTEMMRR 	C36H65N13O11S2	919.4368	NA	PeJP	NA	NA
+PJ080883	GGGGAALMMR 	C36H65N13O11S2	919.4369	NA	PeJP	NA	NA
+PJ080884	GEEHHRR 	C36H57N17O12	919.4373	NA	PeJP	NA	NA
+PJ080885	LEMRWW 	C44H61N11O9S	919.4375	NA	PeJP	NA	NA
+PJ080886	PVFWWW 	C52H57N9O7	919.4381	NA	PeJP	NA	NA
+PJ080887	STLEERW 	C40H61N11O14	919.44	NA	PeJP	NA	NA
+3589	heparin-binding peptide	FACRRWQWRMAALGA	919.4402	MH2+	Inhouse_peptide	NA	peptide
+PJ080888	SCNERRR 	C33H61N17O12S	919.4407	NA	PeJP	NA	NA
+PJ080889	SPLMMRW 	C41H65N11O9S2	919.4409	NA	PeJP	NA	NA
+PJ080890	GVEHHRW 	C41H57N15O10	919.4413	NA	PeJP	NA	NA
+PJ080891	VLMWWW 	C49H61N9O7S	919.4415	NA	PeJP	NA	NA
+PJ080892	PTTTCLER 	C37H65N11O14S	919.4433	NA	PeJP	NA	NA
+PJ080893	VKEEEMR 	C37H65N11O14S	919.4434	NA	PeJP	NA	NA
+PJ080894	SSLLEWW 	C45H61N9O12	919.444	NA	PeJP	NA	NA
+PJ080895	AAPLMMMR 	C38H69N11O9S3	919.4442	NA	PeJP	NA	NA
+PJ080896	GSQMRRW 	C38H61N15O10S	919.4447	NA	PeJP	NA	NA
+PJ080897	AALHHWW 	C46H57N13O8	919.4453	NA	PeJP	NA	NA
+PJ080898	GVVHHWW 	C46H57N13O8	919.4454	NA	PeJP	NA	NA
+PJ080899	GSSTQERR 	C34H61N15O15	919.4472	NA	PeJP	NA	NA
+PJ080900	VVKEEMW 	C42H65N9O12S	919.4474	NA	PeJP	NA	NA
+PJ080901	LLYYYW 	C50H61N7O10	919.448	NA	PeJP	NA	NA
+PJ080902	AQQMMRR 	C35H65N15O10S2	919.4481	NA	PeJP	NA	NA
+PJ080903	SNNHHRR 	C35H57N19O11	919.4485	NA	PeJP	NA	NA
+PJ080904	GGGGSHHRR 	C35H57N19O11	919.4486	NA	PeJP	NA	NA
+PJ080905	NKMRWW 	C43H61N13O8S	919.4487	NA	PeJP	NA	NA
+PJ080906	ATTLKEEE 	C38H65N9O17	919.4499	NA	PeJP	NA	NA
+PJ080907	APTLKEMM 	C39H69N9O12S2	919.4507	NA	PeJP	NA	NA
+PJ080908	SPVVKEMM 	C39H69N9O12S2	919.4508	NA	PeJP	NA	NA
+PJ080909	SSQKERW 	C39H61N13O13	919.4512	NA	PeJP	NA	NA
+PJ080910	GGGGGGGGGLKF 	C39H61N13O13	919.4513	NA	PeJP	NA	NA
+PJ080911	ALLMFYY 	C47H65N7O10S	919.4514	NA	PeJP	NA	NA
+PJ080912	PCCKKRW 	C40H65N13O8S2	919.4521	NA	PeJP	NA	NA
+PJ080913	EHHRRW 	C40H57N17O9	919.4526	NA	PeJP	NA	NA
+PJ080914	SLEEMRR 	C36H65N13O13S	919.4546	NA	PeJP	NA	NA
+PJ080915	GSKKEWW 	C44H61N11O11	919.4552	NA	PeJP	NA	NA
+PJ080916	GGGGPVKYW 	C44H61N11O11	919.4553	NA	PeJP	NA	NA
+PJ080917	PVMMMRR 	C37H69N13O8S3	919.4555	NA	PeJP	NA	NA
+PJ080918	GSCRRRW 	C37H61N17O9S	919.4559	NA	PeJP	NA	NA
+PJ080919	VHHRWW 	C45H57N15O7	919.4566	NA	PeJP	NA	NA
+PJ080920	GSSSDRRR 	C33H61N17O14	919.4584	NA	PeJP	NA	NA
+PJ080921	SVLEMRW 	C41H65N11O11S	919.4586	NA	PeJP	NA	NA
+PJ080922	GPVLYWW 	C49H61N9O9	919.4593	NA	PeJP	NA	NA
+PJ080923	SSSLLEER 	C37H65N11O16	919.4611	NA	PeJP	NA	NA
+PJ080924	LLQEMMR 	C38H69N11O11S2	919.462	NA	PeJP	NA	NA
+PJ080925	SSTQRRW 	C38H61N15O12	919.4624	NA	PeJP	NA	NA
+PJ080926	GGSTTRRW 	C38H61N15O12	919.4625	NA	PeJP	NA	NA
+PJ080927	ATLLMWW 	C46H65N9O9S	919.4626	NA	PeJP	NA	NA
+PJ080928	GTTTLLEW 	C42H65N9O14	919.4651	NA	PeJP	NA	NA
+PJ080929	GGGVLLEEF 	C42H65N9O14	919.4652	NA	PeJP	NA	NA
+PJ080930	SNKEMRR 	C35H65N15O12S	919.4658	NA	PeJP	NA	NA
+PJ080931	VLLQMMW 	C43H69N9O9S2	919.466	NA	PeJP	NA	NA
+PJ080932	GSTKRWW 	C43H61N13O10	919.4665	NA	PeJP	NA	NA
+PJ080933	GTLLKEEM 	C39H69N9O14S	919.4685	NA	PeJP	NA	NA
+PJ080934	SVLLYYY 	C47H65N7O12	919.4691	NA	PeJP	NA	NA
+PJ080935	GPLLKMMM 	C40H73N9O9S3	919.4694	NA	PeJP	NA	NA
+PJ080936	ATQKMRW 	C40H65N13O10S	919.4698	NA	PeJP	NA	NA
+PJ080937	GDKKMRW 	C40H65N13O10S	919.4699	NA	PeJP	NA	NA
+PJ080938	SKKWWW 	C48H61N11O8	919.4705	NA	PeJP	NA	NA
+PJ080939	ASSDKKER 	C36H65N13O15	919.4723	NA	PeJP	NA	NA
+PJ080940	GSSKKEER 	C36H65N13O15	919.4724	NA	PeJP	NA	NA
+PJ080941	VVEMMRR 	C37H69N13O10S2	919.4732	NA	PeJP	NA	NA
+PJ080942	GNDFRRR 	C37H61N17O11	919.4737	NA	PeJP	NA	NA
+PJ080943	AAKKMWW 	C45H65N11O8S	919.4739	NA	PeJP	NA	NA
+PJ080944	SDKKKEW 	C41H65N11O13	919.4764	NA	PeJP	NA	NA
+PJ080945	SSQMRRR 	C34H65N17O11S	919.4771	NA	PeJP	NA	NA
+PJ080946	ALLMMRW 	C42H69N11O8S2	919.4772	NA	PeJP	NA	NA
+PJ080947	QQFRRW 	C42H61N15O9	919.4777	NA	PeJP	NA	NA
+PJ080948	GTTLLEMR 	C38H69N11O13S	919.4797	NA	PeJP	NA	NA
+PJ080949	GAKKKEEM 	C38H69N11O13S	919.4798	NA	PeJP	NA	NA
+PJ080950	TTTLLWW 	C46H65N9O11	919.4804	NA	PeJP	NA	NA
+PJ080951	GSKMRRW 	C39H65N15O9S	919.4811	NA	PeJP	NA	NA
+PJ080952	KHFFRW 	C47H61N13O7	919.4817	NA	PeJP	NA	NA
+PJ080953	GSSTKERR 	C35H65N15O14	919.4836	NA	PeJP	NA	NA
+PJ080954	TLLKEMW 	C43H69N9O11S	919.4838	NA	PeJP	NA	NA
+PJ080955	ALLFFFY 	C51H65N7O9	919.4844	NA	PeJP	NA	NA
+PJ080956	GAAKMMRR 	C36H69N15O9S2	919.4845	NA	PeJP	NA	NA
+PJ080957	STTLLKEE 	C39H69N9O16	919.4863	NA	PeJP	NA	NA
+PJ080958	GVLLKEMM 	C40H73N9O11S2	919.4871	NA	PeJP	NA	NA
+PJ080959	SSKKERW 	C40H65N13O12	919.4876	NA	PeJP	NA	NA
+PJ080960	SSCRRRR 	C33H65N19O10S	919.4883	NA	PeJP	NA	NA
+PJ080961	APHHFRR 	C41H61N17O8	919.4889	NA	PeJP	NA	NA
+PJ080962	PKKHHHH 	C41H61N17O8	919.489	NA	PeJP	NA	NA
+PJ080963	TQKKEMR 	C37H69N13O12S	919.491	NA	PeJP	NA	NA
+PJ080964	ATTKKWW 	C45H65N11O10	919.4916	NA	PeJP	NA	NA
+PJ080965	ALMHHRR 	C38H65N17O8S	919.4923	NA	PeJP	NA	NA
+PJ080966	GSSTTRRR 	C34H65N17O13	919.4948	NA	PeJP	NA	NA
+PJ080967	TTLLMRW 	C42H69N11O10S	919.495	NA	PeJP	NA	NA
+PJ080968	GVLLFWW 	C50H65N9O8	919.4957	NA	PeJP	NA	NA
+PJ080969	STTTLLER 	C38H69N11O15	919.4975	NA	PeJP	NA	NA
+PJ080970	LLKEMMR 	C39H73N11O10S2	919.4984	NA	PeJP	NA	NA
+PJ080971	SSTKRRW 	C39H65N15O11	919.4988	NA	PeJP	NA	NA
+PJ080972	GGGAALRRY 	C39H65N15O11	919.4989	NA	PeJP	NA	NA
+PJ080973	PVLKMFW 	C47H69N9O8S	919.499	NA	PeJP	NA	NA
+PJ080974	SSTTLLLW 	C43H69N9O13	919.5015	NA	PeJP	NA	NA
+PJ080975	SDKKMRR 	C36H69N15O11S	919.5022	NA	PeJP	NA	NA
+PJ080976	VLLKMMW 	C44H73N9O8S2	919.5024	NA	PeJP	NA	NA
+PJ080977	GVQKFRW 	C44H65N13O9	919.5029	NA	PeJP	NA	NA
+PJ080978	SSLLLKEM 	C40H73N9O13S	919.5049	NA	PeJP	NA	NA
+PJ080979	ATKKMRW 	C41H69N13O9S	919.5062	NA	PeJP	NA	NA
+PJ080980	LLFRWW 	C49H65N11O7	919.5069	NA	PeJP	NA	NA
+PJ080981	GTTTKKER 	C37H69N13O14	919.5087	NA	PeJP	NA	NA
+PJ080982	TLLMMRR 	C38H73N13O9S2	919.5096	NA	PeJP	NA	NA
+PJ080983	AAQRRRY 	C38H65N17O10	919.5101	NA	PeJP	NA	NA
+MJ097771	Patellazole A; 36,41-Dihydroxy 	C49H77NO13S	919.511562	NA	MeJP	NA	NA
+PJ080984	TTKKKEW 	C42H69N11O12	919.5127	NA	PeJP	NA	NA
+PJ080985	GSTTLKKW 	C42H69N11O12	919.5128	NA	PeJP	NA	NA
+PJ080986	SSKMRRR 	C35H69N17O10S	919.5134	NA	PeJP	NA	NA
+PJ080987	QKFRRW 	C43H65N15O8	919.5141	NA	PeJP	NA	NA
+PJ080988	SSTLLLMR 	C39H73N11O12S	919.5161	NA	PeJP	NA	NA
+PJ080989	PTLLKYW 	C47H69N9O10	919.5168	NA	PeJP	NA	NA
+PJ080990	VLKMHHR 	C40H69N15O8S	919.5175	NA	PeJP	NA	NA
+PJ080991	SSSSLKRR 	C36H69N15O13	919.52	NA	PeJP	NA	NA
+PJ080992	GPVLLKMY 	C44H73N9O10S	919.5202	NA	PeJP	NA	NA
+PJ080993	AKKMMRR 	C37H73N15O8S2	919.5208	NA	PeJP	NA	NA
+PJ080994	NRRRRY 	C37H65N19O9	919.5213	NA	PeJP	NA	NA
+PJ080995	SSSSTLLLL 	C40H73N9O15	919.5226	NA	PeJP	NA	NA
+PJ080996	ATLLLKMM 	C41H77N9O10S2	919.5235	NA	PeJP	NA	NA
+PJ080997	TTTKKRW 	C41H69N13O11	919.524	NA	PeJP	NA	NA
+PJ080998	TKKKEMR 	C38H73N13O11S	919.5274	NA	PeJP	NA	NA
+PJ080999	GLLLRYW 	C46H69N11O9	919.528	NA	PeJP	NA	NA
+PJ081000	SLKKKMW 	C43H73N11O9S	919.5314	NA	PeJP	NA	NA
+PJ081001	SSTLKKKE 	C39H73N11O14	919.5339	NA	PeJP	NA	NA
+PJ081002	AALKKKMM 	C40H77N11O9S2	919.5348	NA	PeJP	NA	NA
+PJ081003	GLQKRRY 	C40H69N15O10	919.5352	NA	PeJP	NA	NA
+PJ081004	AALLLKEY 	C44H73N9O12	919.5379	NA	PeJP	NA	NA
+PJ081005	TTKKMRR 	C37H73N15O10S	919.5386	NA	PeJP	NA	NA
+MJ097772	Panagrellus redivivus Heptapeptide 	C45H69N13O8	919.539206	NA	MeJP	NA	NA
+PJ081006	GVKKFRW 	C45H69N13O8	919.5393	NA	PeJP	NA	NA
+PJ081007	TTTLLLKM 	C41H77N9O12S	919.5413	NA	PeJP	NA	NA
+PJ081008	VVLMFRR 	C42H73N13O8S	919.5426	NA	PeJP	NA	NA
+PJ081009	SSTTLKKR 	C38H73N13O13	919.5451	NA	PeJP	NA	NA
+PJ081010	VKKKMMR 	C39H77N13O8S2	919.546	NA	PeJP	NA	NA
+PJ081011	AAKRRRY 	C39H69N17O9	919.5465	NA	PeJP	NA	NA
+PJ081012	VLLKERY 	C43H73N11O11	919.5491	NA	PeJP	NA	NA
+PJ081013	GGAALLKKY 	C43H73N11O11	919.5492	NA	PeJP	NA	NA
+MJ097773	Tylosin; 9,20-Dialcohol 	C46H81NO17	919.55045	NA	MeJP	NA	NA
+PJ081014	KKFRRW 	C44H69N15O7	919.5505	NA	PeJP	NA	NA
+PJ081015	ATTLKKKM 	C40H77N11O11S	919.5525	NA	PeJP	NA	NA
+PJ081016	VVLLKYW 	C48H73N9O9	919.5532	NA	PeJP	NA	NA
+PJ081017	GVLLLKMF 	C45H77N9O9S	919.5565	NA	PeJP	NA	NA
+PJ081018	APKHRRR 	C38H69N19O8	919.5577	NA	PeJP	NA	NA
+PJ081019	SLLLRRY 	C42H73N13O10	919.5604	NA	PeJP	NA	NA
+PJ081020	GTCKKKKK 	C39H77N13O10S	919.5638	NA	PeJP	NA	NA
+PJ081021	ALKKKFW 	C47H73N11O8	919.5644	NA	PeJP	NA	NA
+PJ081022	LLLKMFR 	C44H77N11O8S	919.5678	NA	PeJP	NA	NA
+PJ081023	TTTTLKKK 	C40H77N11O13	919.5703	NA	PeJP	NA	NA
+PJ081024	GLKKRRY 	C41H73N15O9	919.5716	NA	PeJP	NA	NA
+PJ081025	GTLLLLKY 	C45H77N9O11	919.5743	NA	PeJP	NA	NA
+PJ081026	SSSKKKKK 	C39H77N13O12	919.5815	NA	PeJP	NA	NA
+PJ081027	PVKKHRR 	C40H73N17O8	919.5828	NA	PeJP	NA	NA
+PJ081028	LLQKKKY 	C44H77N11O10	919.5855	NA	PeJP	NA	NA
+PJ081029	VVKKKRY 	C43H77N13O9	919.5968	NA	PeJP	NA	NA
+PJ081030	LLLLHRR 	C42H77N15O8	919.608	NA	PeJP	NA	NA
+PJ081031	AAPPLLLLL 	C46H81N9O10	919.6107	NA	PeJP	NA	NA
+PJ081032	LLKKKKY 	C45H81N11O9	919.6219	NA	PeJP	NA	NA
+HMDB08651	PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))	C54H98NO8P	919.703003	NA	HMDB2010	NA	NA
+HMDB08683	PC(22:5(4Z,7Z,10Z,13Z,16Z)/24:0)	C54H98NO8P	919.703003	NA	HMDB2010	NA	NA
+HMDB08716	PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)	C54H98NO8P	919.703003	NA	HMDB2010	NA	NA
+HMDB08779	PC(24:0/22:5(4Z,7Z,10Z,13Z,16Z))	C54H98NO8P	919.703003	NA	HMDB2010	NA	NA
+HMDB08780	PC(24:0/22:5(7Z,10Z,13Z,16Z,19Z))	C54H98NO8P	919.703003	NA	HMDB2010	NA	NA
+HMDB08811	PC(24:1(15Z)/22:4(7Z,10Z,13Z,16Z))	C54H98NO8P	919.703003	NA	HMDB2010	NA	NA
+7424	coeliac toxic peptide	PQQPQQSFPQQQRPF	919.9415	MH2+	Inhouse_peptide	NA	peptide
+MJ097774	Acutissimin C; 3'-Hydroxy 	C42H32O24	920.128351	NA	MeJP	NA	NA
+PJ081033	CCCCDDEM 	C30H48N8O15S5	920.1843	NA	PeJP	NA	NA
+PJ081034	CCCCCCHF 	C33H48N10O9S6	920.193	NA	PeJP	NA	NA
+PJ081035	GSCCCCCNE 	C29H48N10O14S5	920.1955	NA	PeJP	NA	NA
+PJ081036	GGGSCCCCCE 	C29H48N10O14S5	920.1956	NA	PeJP	NA	NA
+PJ081037	SCCCCCNW 	C33H48N10O11S5	920.2108	NA	PeJP	NA	NA
+PJ081038	SSSCCCCND 	C29H48N10O16S4	920.2133	NA	PeJP	NA	NA
+PJ081039	CCCCNNMM 	C30H52N10O11S6	920.2142	NA	PeJP	NA	NA
+PJ081040	PCCCCDDY 	C34H48N8O14S4	920.2173	NA	PeJP	NA	NA
+PJ081041	SCCCDEMM 	C31H52N8O14S5	920.2207	NA	PeJP	NA	NA
+PJ081042	PCCCCMMM 	C32H56N8O9S7	920.2216	NA	PeJP	NA	NA
+FL5FACGL0071	Quercetin 3-(2'''-caffeylsambubioside)-7-glucoside	C41H44O24	920.22225	162556-34-5	knapsack	NA	NA
+PJ081043	CCCCCCQR 	C29H52N12O10S6	920.2254	NA	PeJP	NA	NA
+PJ081044	CCCCNNDF 	C33H48N10O13S4	920.2286	NA	PeJP	NA	NA
+MJ097775	Visnagin oligomers; Visnagin tetramer (n=3) 	C52H40O16	920.231635	NA	MeJP	NA	NA
+PJ081045	GSSCCCCQM 	C30H52N10O13S5	920.2319	NA	PeJP	NA	NA
+PJ081046	GCCDDDMY 	C34H48N8O16S3	920.2351	NA	PeJP	NA	NA
+PJ081047	PCCCCDMF 	C35H52N8O11S5	920.236	NA	PeJP	NA	NA
+PJ081048	GCCDMMMM 	C32H56N8O11S6	920.2393	NA	PeJP	NA	NA
+PJ081049	SCCCCEHH 	C32H48N12O12S4	920.2398	NA	PeJP	NA	NA
+PJ081050	GSSCCCCCR 	C29H52N12O12S5	920.2432	NA	PeJP	NA	NA
+PJ081051	SCDDDDDH 	C32H44N10O20S	920.2455	NA	PeJP	NA	NA
+PJ081052	SCCCNNDY 	C33H48N10O15S3	920.2463	NA	PeJP	NA	NA
+PJ081053	SSSSCCCNM 	C30H52N10O15S4	920.2497	NA	PeJP	NA	NA
+PJ081054	CCCDEYW 	C38H48N8O13S3	920.2503	NA	PeJP	NA	NA
+PJ081055	CCCCCQKM 	C31H56N10O10S6	920.2506	NA	PeJP	NA	NA
+PJ081056	PDDDDDDD 	C33H44N8O23	920.252	NA	PeJP	NA	NA
+PJ081057	SSCCDDEY 	C34H48N8O18S2	920.2528	NA	PeJP	NA	NA
+PJ081058	SPCCCDMY 	C35H52N8O13S4	920.2537	NA	PeJP	NA	NA
+PJ081059	SSCCEMMM 	C32H56N8O13S5	920.2571	NA	PeJP	NA	NA
+PJ081060	GCCCMMHH 	C33H52N12O9S5	920.2584	NA	PeJP	NA	NA
+PJ081061	CCCCCCKR 	C30H56N12O9S6	920.2618	NA	PeJP	NA	NA
+PJ081062	GCDDDEMH 	C33H48N10O17S2	920.2641	NA	PeJP	NA	NA
+PJ081063	GCCCNQMY 	C34H52N10O12S4	920.2649	NA	PeJP	NA	NA
+PJ081064	GGGGACCCMY 	C34H52N10O12S4	920.265	NA	PeJP	NA	NA
+PJ081065	GSSSSSTCCC 	C30H52N10O17S3	920.2674	NA	PeJP	NA	NA
+PJ081066	GCCDDDFF 	C38H48N8O15S2	920.2681	NA	PeJP	NA	NA
+PJ081067	GSSCCCCKM 	C31H56N10O12S5	920.2683	NA	PeJP	NA	NA
+PJ081068	CCCNNNNH 	C31H48N14O13S3	920.2688	NA	PeJP	NA	NA
+PJ081069	CCCEMFW 	C39H52N8O10S4	920.269	NA	PeJP	NA	NA
+PJ081070	GSCDDMMY 	C35H52N8O15S3	920.2715	NA	PeJP	NA	NA
+PJ081071	APCCCMMY 	C36H56N8O10S5	920.2723	NA	PeJP	NA	NA
+PJ081072	GCCCDHHF 	C36H48N12O11S3	920.2728	NA	PeJP	NA	NA
+PJ081073	SCCNNDEH 	C32H48N12O16S2	920.2753	NA	PeJP	NA	NA
+PJ081074	GSCMMMMM 	C33H60N8O10S6	920.2757	NA	PeJP	NA	NA
+PJ081075	GCCCCNRY 	C33H52N12O11S4	920.2762	NA	PeJP	NA	NA
+PJ081076	CDDDMHW 	C37H48N10O14S2	920.2793	NA	PeJP	NA	NA
+MJ097776	5,6,8-Trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one; 8-Me ether, 6-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H52O25	920.279767	NA	MeJP	NA	NA
+MJ097777	Toralactone; 9-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C39H52O25	920.279767	NA	MeJP	NA	NA
+C17674	Cassiaside B2	C39H52O25	920.2798	NA	KEGG	NA	NA
+PJ081077	SSDDDDMH 	C33H48N10O19S	920.2818	NA	PeJP	NA	NA
+PJ081078	GGGGPCDDDE 	C33H48N10O19S	920.2819	NA	PeJP	NA	NA
+PJ081079	SSCCNNMY 	C34H52N10O14S3	920.2827	NA	PeJP	NA	NA
+PJ081080	PPCCCMMH 	C35H56N10O9S5	920.2836	NA	PeJP	NA	NA
+MJ097778	Perdeacyleuojaponin; 8-(2-Pyridinecarbonyl), 6-(3-furancarbonyl), 1,2,9,14-tetra-Ac 	C45H48N2O19	920.285127	NA	MeJP	NA	NA
+PJ081081	SSSSSSSSCC 	C30H52N10O19S2	920.2852	NA	PeJP	NA	NA
+PJ081082	CNDDEYY 	C38H48N8O17S	920.2858	NA	PeJP	NA	NA
+PJ081083	GGCDDEYY 	C38H48N8O17S	920.2859	NA	PeJP	NA	NA
+PJ081084	SSSTCCCCK 	C31H56N10O14S4	920.2861	NA	PeJP	NA	NA
+PJ081085	SCCEMYW 	C39H52N8O12S3	920.2867	NA	PeJP	NA	NA
+PJ081086	CCCCCKKM 	C32H60N10O9S6	920.2869	NA	PeJP	NA	NA
+PJ081087	SPDDDDEE 	C34H48N8O22	920.2884	NA	PeJP	NA	NA
+PJ081088	SSSCDEMY 	C35H52N8O17S2	920.2892	NA	PeJP	NA	NA
+PJ081089	CNEMMMY 	C36H56N8O12S4	920.2901	NA	PeJP	NA	NA
+PJ081090	GSCCNDHW 	C36H48N12O13S2	920.2906	NA	PeJP	NA	NA
+PJ081091	GSSSCNDDH 	C32H48N12O18S	920.2931	NA	PeJP	NA	NA
+PJ081092	SSTCMMMM 	C33H60N8O12S5	920.2935	NA	PeJP	NA	NA
+PJ081093	GCNNDMMH 	C33H52N12O13S3	920.2939	NA	PeJP	NA	NA
+PJ081094	GGGGGCDMMH 	C33H52N12O13S3	920.294	NA	PeJP	NA	NA
+PJ081095	GPCNDDDW 	C37H48N10O16S	920.2971	NA	PeJP	NA	NA
+PJ081096	GCCCNQFF 	C38H52N10O11S3	920.298	NA	PeJP	NA	NA
+PJ081097	GNNDDEEE 	C33H48N10O21	920.2996	NA	PeJP	NA	NA
+PJ081098	GSSSSCCQY 	C34H52N10O16S2	920.3004	NA	PeJP	NA	NA
+PJ081099	GGGSSSTCCY 	C34H52N10O16S2	920.3005	NA	PeJP	NA	NA
+PJ081100	GCDDYYW 	C42H48N8O14S	920.3011	NA	PeJP	NA	NA
+PJ081101	CCDMMRY 	C35H56N10O11S4	920.3013	NA	PeJP	NA	NA
+PJ081102	PCCCFYW 	C43H52N8O9S3	920.302	NA	PeJP	NA	NA
+PJ081103	GSSDDDYY 	C38H48N8O19	920.3036	NA	PeJP	NA	NA
+PJ081104	CNNNNNND 	C31H48N14O17S	920.3043	NA	PeJP	NA	NA
+PJ081105	GSPCCEYY 	C39H52N8O14S2	920.3045	NA	PeJP	NA	NA
+PJ081106	GCCCNEHR 	C32H52N14O12S3	920.3052	NA	PeJP	NA	NA
+PJ081107	GCMMMYW 	C40H56N8O9S4	920.3053	NA	PeJP	NA	NA
+PJ081108	APCCCMFF 	C40H56N8O9S4	920.3054	NA	PeJP	NA	NA
+PJ081109	GPDDEEEM 	C35H52N8O19S	920.307	NA	PeJP	NA	NA
+PJ081110	GSSDMMMY 	C36H56N8O14S3	920.3078	NA	PeJP	NA	NA
+PJ081111	GCNNDDHF 	C36H48N12O15S	920.3083	NA	PeJP	NA	NA
+PJ081112	CQMMMMF 	C37H60N8O9S5	920.3087	NA	PeJP	NA	NA
+PJ081113	CCNQMHW 	C37H52N12O10S3	920.3092	NA	PeJP	NA	NA
+PJ081114	GNDDDDDR 	C32H48N12O20	920.3108	NA	PeJP	NA	NA
+PJ081115	GGGGGGGGSDDE 	C32H48N12O20	920.3109	NA	PeJP	NA	NA
+PJ081116	SSCNNEMH 	C33H52N12O15S2	920.3117	NA	PeJP	NA	NA
+PJ081117	PCCCCQKH 	C34H56N12O10S4	920.3126	NA	PeJP	NA	NA
+PJ081118	GCCNNHHH 	C34H48N16O11S2	920.313	NA	PeJP	NA	NA
+PJ081119	GGGGGCCHHH 	C34H48N16O11S2	920.3131	NA	PeJP	NA	NA
+PJ081120	NNDDEEW 	C37H48N10O18	920.3148	NA	PeJP	NA	NA
+PJ081121	GGNDDEEW 	C37H48N10O18	920.3149	NA	PeJP	NA	NA
+PJ081122	SDDMMHW 	C38H52N10O13S2	920.3157	NA	PeJP	NA	NA
+PJ081123	SSSSSSCNY 	C34H52N10O18S	920.3182	NA	PeJP	NA	NA
+PJ081124	SSCCCQKY 	C35H56N10O13S3	920.3191	NA	PeJP	NA	NA
+PJ081125	GSCDEHHH 	C35H48N14O14S	920.3196	NA	PeJP	NA	NA
+PJ081126	SPCCYYW 	C43H52N8O11S2	920.3197	NA	PeJP	NA	NA
+PJ081127	CCMMMFR 	C36H60N10O8S5	920.32	NA	PeJP	NA	NA
+PJ081128	CCCNHRW 	C36H52N14O9S3	920.3204	NA	PeJP	NA	NA
+PJ081129	PDDEEMW 	C39H52N8O16S	920.3222	NA	PeJP	NA	NA
+PJ081130	SSCCNDHR 	C32H52N14O14S2	920.3229	NA	PeJP	NA	NA
+PJ081131	STCMMYW 	C40H56N8O11S3	920.3231	NA	PeJP	NA	NA
+PJ081132	QEEEEEE 	C35H52N8O21	920.3247	NA	PeJP	NA	NA
+PJ081133	GAEEEEEE 	C35H52N8O21	920.3248	NA	PeJP	NA	NA
+PJ081134	SSSSEMMY 	C36H56N8O16S2	920.3256	NA	PeJP	NA	NA
+PJ081135	GSNNNDDW 	C36H48N12O17	920.3261	NA	PeJP	NA	NA
+PJ081136	SQMMMMY 	C37H60N8O11S4	920.3265	NA	PeJP	NA	NA
+PJ081137	GSSCNMHW 	C37H52N12O12S2	920.3269	NA	PeJP	NA	NA
+PJ081138	GGGSSCMHW 	C37H52N12O12S2	920.327	NA	PeJP	NA	NA
+PJ081139	GSSSSNDMH 	C33H52N12O17S	920.3294	NA	PeJP	NA	NA
+PJ081140	SPCNDDDR 	C33H52N12O17S	920.3295	NA	PeJP	NA	NA
+PJ081141	GNDDEWW 	C41H48N10O15	920.3301	NA	PeJP	NA	NA
+PJ081142	CDEMMHR 	C34H56N12O12S3	920.3303	NA	PeJP	NA	NA
+PJ081143	PCCEHFW 	C42H52N10O10S2	920.331	NA	PeJP	NA	NA
+PJ081144	GSPNDDMW 	C38H52N10O15S	920.3335	NA	PeJP	NA	NA
+PJ081145	GEMMMHW 	C39H56N10O10S3	920.3343	NA	PeJP	NA	NA
+PJ081146	GGAPPCCMW 	C39H56N10O10S3	920.3344	NA	PeJP	NA	NA
+PJ081147	SCDHHHW 	C39H48N14O11S	920.3348	NA	PeJP	NA	NA
+PJ081148	DDEEEER 	C34H52N10O20	920.336	NA	PeJP	NA	NA
+PJ081149	GSSSSCCKY 	C35H56N10O15S2	920.3368	NA	PeJP	NA	NA
+PJ081150	GGGPNEEMM 	C35H56N10O15S2	920.3369	NA	PeJP	NA	NA
+PJ081151	SSSDDHHH 	C35H48N14O16	920.3373	NA	PeJP	NA	NA
+PJ081152	GSDMYYW 	C43H52N8O13S	920.3375	NA	PeJP	NA	NA
+PJ081153	SCMMMRY 	C36H60N10O10S4	920.3377	NA	PeJP	NA	NA
+PJ081154	NDMMHHH 	C36H52N14O11S2	920.3382	NA	PeJP	NA	NA
+PJ081155	GCMMFFW 	C44H56N8O8S3	920.3384	NA	PeJP	NA	NA
+PJ081156	AEEEEEW 	C39H52N8O18	920.34	NA	PeJP	NA	NA
+PJ081157	GCNNNDER 	C32H52N14O16S	920.3407	NA	PeJP	NA	NA
+PJ081158	GQEMMYY 	C40H56N8O13S2	920.3409	NA	PeJP	NA	NA
+PJ081159	PDDDHHW 	C40H48N12O14	920.3413	NA	PeJP	NA	NA
+PJ081160	CFYYYY 	C48H52N6O11S	920.3415	NA	PeJP	NA	NA
+PJ081161	GSCCQMHR 	C33H56N14O11S3	920.3416	NA	PeJP	NA	NA
+PJ081162	CCQHHFF 	C41H52N12O9S2	920.3422	NA	PeJP	NA	NA
+PJ081163	GPTEEEEM 	C36H56N8O18S	920.3434	NA	PeJP	NA	NA
+PJ081164	GSTTMMMY 	C37H60N8O13S3	920.3442	NA	PeJP	NA	NA
+PJ081165	SSSSCQHW 	C37H52N12O14S	920.3447	NA	PeJP	NA	NA
+PJ081166	CKMMMMF 	C38H64N8O8S5	920.3451	NA	PeJP	NA	NA
+PJ081167	NDDWWW 	C45H48N10O12	920.3454	NA	PeJP	NA	NA
+PJ081168	GPPCCCRW 	C38H56N12O9S3	920.3456	NA	PeJP	NA	NA
+PJ081169	GSNDDEER 	C33H52N12O19	920.3472	NA	PeJP	NA	NA
+PJ081170	GPCNDEMR 	C34H56N12O14S2	920.3481	NA	PeJP	NA	NA
+PJ081171	GNNNNDHH 	C34H48N16O15	920.3485	NA	PeJP	NA	NA
+PJ081172	GGGNNNDHH 	C34H48N16O15	920.3486	NA	PeJP	NA	NA
+PJ081173	SPCNEWW 	C42H52N10O12S	920.3487	NA	PeJP	NA	NA
+PJ081174	PCCCCKKH 	C35H60N12O9S4	920.349	NA	PeJP	NA	NA
+PJ081175	CCEHHHR 	C35H52N16O10S2	920.3494	NA	PeJP	NA	NA
+PJ081176	MMMHWW 	C43H56N10O7S3	920.3496	NA	PeJP	NA	NA
+PJ081177	SNQEEEW 	C38H52N10O17	920.3512	NA	PeJP	NA	NA
+PJ081178	GGGGGPDEEF 	C38H52N10O17	920.3513	NA	PeJP	NA	NA
+PJ081179	STEMMHW 	C39H56N10O12S2	920.3521	NA	PeJP	NA	NA
+PJ081180	NDDHHHF 	C39H48N14O13	920.3526	NA	PeJP	NA	NA
+PJ081181	TCYYWW 	C47H52N8O10S	920.3527	NA	PeJP	NA	NA
+PJ081182	GCDFFFW 	C47H52N8O10S	920.3528	NA	PeJP	NA	NA
+PJ081183	ACMHHHW 	C40H52N14O8S2	920.3534	NA	PeJP	NA	NA
+PJ081184	SSTTEEMH 	C35H56N10O17S	920.3546	NA	PeJP	NA	NA
+PJ081185	SSSEYYW 	C43H52N8O15	920.3552	NA	PeJP	NA	NA
+PJ081186	PPDDEYW 	C43H52N8O15	920.3553	NA	PeJP	NA	NA
+PJ081187	SSCCCKKY 	C36H60N10O12S3	920.3555	NA	PeJP	NA	NA
+PJ081188	CNNNDRW 	C36H52N14O13S	920.3559	NA	PeJP	NA	NA
+PJ081189	GGGGCNDRW 	C36H52N14O13S	920.356	NA	PeJP	NA	NA
+PJ081190	QMMYYW 	C44H56N8O10S2	920.3561	NA	PeJP	NA	NA
+PJ081191	CNHHHHH 	C37H48N18O9S	920.3573	NA	PeJP	NA	NA
+PJ081192	SSNNNDDR 	C32H52N14O18	920.3584	NA	PeJP	NA	NA
+PJ081193	GGGGSSNDDR 	C32H52N14O18	920.3585	NA	PeJP	NA	NA
+PJ081194	PTEEEMW 	C40H56N8O15S	920.3586	NA	PeJP	NA	NA
+PJ081195	SYYYYY 	C48H52N6O13	920.3592	NA	PeJP	NA	NA
+PJ081196	GPCCDDRR 	C33H56N14O13S2	920.3593	NA	PeJP	NA	NA
+PJ081197	PPEMMMW 	C41H60N8O10S3	920.3595	NA	PeJP	NA	NA
+PJ081198	GNNNMWW 	C41H52N12O11S	920.36	NA	PeJP	NA	NA
+PJ081199	KEEEEEE 	C36H56N8O20	920.3611	NA	PeJP	NA	NA
+PJ081200	SSTTTMMY 	C37H60N8O15S2	920.362	NA	PeJP	NA	NA
+PJ081201	SNDDERW 	C37H52N12O16	920.3625	NA	PeJP	NA	NA
+PJ081202	SKMMMMY 	C38H64N8O10S4	920.3628	NA	PeJP	NA	NA
+PJ081203	SPPPMMMM 	C38H64N8O10S4	920.3629	NA	PeJP	NA	NA
+PJ081204	PCNDMRW 	C38H56N12O11S2	920.3633	NA	PeJP	NA	NA
+PJ081205	GGGGGPCCKW 	C38H56N12O11S2	920.3634	NA	PeJP	NA	NA
+PJ081206	GSPCWWW 	C46H52N10O9S	920.364	NA	PeJP	NA	NA
+PJ081207	NNEEEMR 	C34H56N12O16S	920.3658	NA	PeJP	NA	NA
+PJ081208	GGGGEEEMR 	C34H56N12O16S	920.3659	NA	PeJP	NA	NA
+PJ081209	GSQEEWW 	C42H52N10O14	920.3665	NA	PeJP	NA	NA
+PJ081210	SEMMMHR 	C35H60N12O11S3	920.3667	NA	PeJP	NA	NA
+PJ081211	APCQMWW 	C43H56N10O9S2	920.3673	NA	PeJP	NA	NA
+PJ081212	GPNMMWW 	C43H56N10O9S2	920.3674	NA	PeJP	NA	NA
+PJ081213	VCQQEEW 	C39H56N10O14S	920.3698	NA	PeJP	NA	NA
+PJ081214	AQQEEMW 	C39H56N10O14S	920.3699	NA	PeJP	NA	NA
+PJ081215	NEFYYW 	C47H52N8O12	920.3705	NA	PeJP	NA	NA
+PJ081216	SVMMMHW 	C40H60N10O9S3	920.3707	NA	PeJP	NA	NA
+PJ081217	SSMHHHW 	C40H52N14O10S	920.3712	NA	PeJP	NA	NA
+PJ081218	GSSSPTQEE 	C35H56N10O19	920.3723	NA	PeJP	NA	NA
+PJ081219	TEEEEER 	C35H56N10O19	920.3724	NA	PeJP	NA	NA
+PJ081220	PEEEMMR 	C36H60N10O14S2	920.3732	NA	PeJP	NA	NA
+PJ081221	GNNNNNQF 	C36H52N14O15	920.3737	NA	PeJP	NA	NA
+PJ081222	GTTMYYW 	C44H56N8O12S	920.3739	NA	PeJP	NA	NA
+PJ081223	LQMMMMH 	C37H64N10O9S4	920.3741	NA	PeJP	NA	NA
+PJ081224	CNNMHFR 	C37H56N14O10S2	920.3746	NA	PeJP	NA	NA
+PJ081225	SLEEEEW 	C40H56N8O17	920.3764	NA	PeJP	NA	NA
+PJ081226	NDDDMRR 	C33H56N14O15S	920.3771	NA	PeJP	NA	NA
+PJ081227	PVEEMMW 	C41H60N8O12S2	920.3772	NA	PeJP	NA	NA
+PJ081228	GPPPEMMY 	C41H60N8O12S2	920.3773	NA	PeJP	NA	NA
+PJ081229	GSDDRWW 	C41H52N12O13	920.3777	NA	PeJP	NA	NA
+PJ081230	SPPCCCRR 	C34H60N14O10S3	920.3779	NA	PeJP	NA	NA
+PJ081231	APCCRWW 	C42H56N12O8S2	920.3786	NA	PeJP	NA	NA
+PJ081232	AALEEEEM 	C37H60N8O17S	920.3798	NA	PeJP	NA	NA
+PJ081233	SPPVEMMM 	C38H64N8O12S3	920.3806	NA	PeJP	NA	NA
+PJ081234	GNEEMRW 	C38H56N12O13S	920.3811	NA	PeJP	NA	NA
+PJ081235	SQEWWW 	C46H52N10O11	920.3817	NA	PeJP	NA	NA
+PJ081236	GGGPDFWW 	C46H52N10O11	920.3818	NA	PeJP	NA	NA
+PJ081237	PCMMHFR 	C39H60N12O8S3	920.382	NA	PeJP	NA	NA
+PJ081238	GPPCHHHH 	C39H52N16O9S	920.3824	NA	PeJP	NA	NA
+PJ081239	GSSQEEER 	C34H56N12O18	920.3836	NA	PeJP	NA	NA
+PJ081240	QQQQQMM 	C35H60N12O13S2	920.3844	NA	PeJP	NA	NA
+PJ081241	GSPNEMMR 	C35H60N12O13S2	920.3845	NA	PeJP	NA	NA
+PJ081242	NNDEHHR 	C35H52N16O14	920.3849	NA	PeJP	NA	NA
+PJ081243	GGGGDEHHR 	C35H52N16O14	920.385	NA	PeJP	NA	NA
+MJ097779	Keramamide F 	C43H56N10O11S	920.385073	NA	MeJP	NA	NA
+PJ081244	AAQEMWW 	C43H56N10O11S	920.3851	NA	PeJP	NA	NA
+PJ081245	CLMMMHR 	C36H64N12O8S4	920.3853	NA	PeJP	NA	NA
+PJ081246	GFYYWW 	C51H52N8O9	920.3858	NA	PeJP	NA	NA
+PJ081247	SNKEEEW 	C39H56N10O16	920.3876	NA	PeJP	NA	NA
+PJ081248	GSCNNDRR 	C32H56N16O14S	920.3883	NA	PeJP	NA	NA
+PJ081249	PNDKMMW 	C40H60N10O11S2	920.3885	NA	PeJP	NA	NA
+PJ081250	GQQEHHW 	C40H52N14O12	920.389	NA	PeJP	NA	NA
+PJ081251	QMFFYW 	C48H56N8O9S	920.3891	NA	PeJP	NA	NA
+PJ081252	VEEEEMR 	C36H60N10O16S	920.391	NA	PeJP	NA	NA
+PJ081253	STTTYYW 	C44H56N8O14	920.3916	NA	PeJP	NA	NA
+PJ081254	GTTLMMMH 	C37H64N10O11S3	920.3919	NA	PeJP	NA	NA
+PJ081255	GCDERRW 	C37H56N14O12S	920.3923	NA	PeJP	NA	NA
+PJ081256	GGGGGGGPCFR 	C37H56N14O12S	920.3924	NA	PeJP	NA	NA
+PJ081257	KMMYYW 	C45H60N8O9S2	920.3925	NA	PeJP	NA	NA
+PJ081258	GNNHFFW 	C45H52N12O10	920.393	NA	PeJP	NA	NA
+PJ081259	GSSDDERR 	C33H56N14O17	920.3948	NA	PeJP	NA	NA
+PJ081260	GGGGGGGGGSSSK 	C33H56N14O17	920.3949	NA	PeJP	NA	NA
+PJ081261	VVEEEMW 	C41H60N8O14S	920.395	NA	PeJP	NA	NA
+PJ081262	GSPCDMRR 	C34H60N14O12S2	920.3957	NA	PeJP	NA	NA
+PJ081263	AKMMMFY 	C42H64N8O9S3	920.3959	NA	PeJP	NA	NA
+PJ081264	NEMRWW 	C42H56N12O10S	920.3963	NA	PeJP	NA	NA
+PJ081265	GGEMRWW 	C42H56N12O10S	920.3964	NA	PeJP	NA	NA
+PJ081266	GTWWWW 	C50H52N10O8	920.397	NA	PeJP	NA	NA
+PJ081267	ATTLEEEE 	C37H60N8O19	920.3975	NA	PeJP	NA	NA
+PJ081268	APTLEEMM 	C38H64N8O14S2	920.3984	NA	PeJP	NA	NA
+PJ081269	SSQEERW 	C38H56N12O15	920.3988	NA	PeJP	NA	NA
+PJ081270	GGSTEERW 	C38H56N12O15	920.3989	NA	PeJP	NA	NA
+PJ081271	APPLMMMM 	C39H68N8O9S4	920.3993	NA	PeJP	NA	NA
+PJ081272	SPNMMRW 	C39H60N12O10S2	920.3997	NA	PeJP	NA	NA
+PJ081273	GNDHHRW 	C39H52N16O11	920.4002	NA	PeJP	NA	NA
+PJ081274	VNMWWW 	C47H56N10O8S	920.4004	NA	PeJP	NA	NA
+PJ081275	NDKEEMR 	C35H60N12O15S	920.4022	NA	PeJP	NA	NA
+PJ081276	GSKEEWW 	C43H56N10O13	920.4029	NA	PeJP	NA	NA
+PJ081277	PQQMMMR 	C36H64N12O10S3	920.4031	NA	PeJP	NA	NA
+PJ081278	GSPCQHHR 	C36H56N16O11S	920.4036	NA	PeJP	NA	NA
+PJ081279	APCKMWW 	C44H60N10O8S2	920.4037	NA	PeJP	NA	NA
+PJ081280	QQHHWW 	C44H52N14O9	920.4042	NA	PeJP	NA	NA
+PJ081281	AQKEEMW 	C40H60N10O13S	920.4062	NA	PeJP	NA	NA
+PJ081282	GAAKEEMW 	C40H60N10O13S	920.4063	NA	PeJP	NA	NA
+PJ081283	VQYYYW 	C48H56N8O11	920.4069	NA	PeJP	NA	NA
+PJ081284	GGGGGACMRR 	C33H60N16O11S2	920.407	NA	PeJP	NA	NA
+PJ081285	PKMMMHF 	C41H64N10O8S3	920.4071	NA	PeJP	NA	NA
+PJ081286	CDRRWW 	C41H56N14O9S	920.4076	NA	PeJP	NA	NA
+PJ081287	GTTQKEEE 	C36H60N10O18	920.4087	NA	PeJP	NA	NA
+PJ081288	GSDKKEEE 	C36H60N10O18	920.4088	NA	PeJP	NA	NA
+PJ081289	STTTLMMH 	C37H64N10O13S2	920.4096	NA	PeJP	NA	NA
+PJ081290	SSDDRRW 	C37H56N14O14	920.4101	NA	PeJP	NA	NA
+PJ081291	AVQMFYY 	C45H60N8O11S	920.4102	NA	PeJP	NA	NA
+PJ081292	PPVEMYW 	C45H60N8O11S	920.4103	NA	PeJP	NA	NA
+PJ081293	LKMMMMH 	C38H68N10O8S4	920.4105	NA	PeJP	NA	NA
+2752	activating kinases and phosphatases peptide	DPSYVNVQ	920.4108	antibacterial	Inhouse_peptide	NA	peptide
+PJ081294	CCQKHFR 	C38H60N14O9S2	920.4109	NA	PeJP	NA	NA
+PJ081295	PTCCRRW 	C38H60N14O9S2	920.411	NA	PeJP	NA	NA
+PJ081296	GMRWWW 	C46H56N12O7S	920.4116	NA	PeJP	NA	NA
+PJ081297	SSSTTLYY 	C41H60N8O16	920.4127	NA	PeJP	NA	NA
+PJ081298	AAPLEEEY 	C41H60N8O16	920.4128	NA	PeJP	NA	NA
+PJ081299	GSSQQQMR 	C34H60N14O14S	920.4134	NA	PeJP	NA	NA
+PJ081300	SNEEMRR 	C34H60N14O14S	920.4135	NA	PeJP	NA	NA
+PJ081301	SVKMMYY 	C42H64N8O11S2	920.4136	NA	PeJP	NA	NA
+PJ081302	GSTERWW 	C42H56N12O12	920.4141	NA	PeJP	NA	NA
+PJ081303	PCQMMRR 	C35H64N14O9S3	920.4143	NA	PeJP	NA	NA
+PJ081304	APHHHHW 	C43H52N16O8	920.4154	NA	PeJP	NA	NA
+PJ081305	GTLLEEEM 	C38H64N8O16S	920.4161	NA	PeJP	NA	NA
+PJ081306	GPLLEMMM 	C39H68N8O11S3	920.417	NA	PeJP	NA	NA
+PJ081307	GDKEMRW 	C39H60N12O12S	920.4175	NA	PeJP	NA	NA
+PJ081308	SKEWWW 	C47H56N10O10	920.4181	NA	PeJP	NA	NA
+PJ081309	CCNNRRR 	C32H60N18O10S2	920.4182	NA	PeJP	NA	NA
+PJ081310	GMHHHFR 	C40H56N16O8S	920.4188	NA	PeJP	NA	NA
+MJ097780	Chlorothricin; Dechloro 	C50H64O16	920.419436	NA	MeJP	NA	NA
+PJ081311	GSSKEEER 	C35H60N12O17	920.42	NA	PeJP	NA	NA
+PJ081312	VQQEMMR 	C36H64N12O12S2	920.4208	NA	PeJP	NA	NA
+PJ081313	GGLQEMMR 	C36H64N12O12S2	920.4209	NA	PeJP	NA	NA
+PJ081314	SQQEHHR 	C36H56N16O13	920.4213	NA	PeJP	NA	NA
+PJ081315	AAKEMWW 	C44H60N10O10S	920.4215	NA	PeJP	NA	NA
+MJ097781	Microginin 299A; 1-Chloro 	C45H66Cl2N6O10	920.421747	NA	MeJP	NA	NA
+PJ081316	QFFFFW 	C52H56N8O8	920.4221	NA	PeJP	NA	NA
+PJ081317	GAFFFFW 	C52H56N8O8	920.4222	NA	PeJP	NA	NA
+PJ081318	SDKKEEW 	C40H60N10O15	920.424	NA	PeJP	NA	NA
+PJ081319	SCDERRR 	C33H60N16O13S	920.4247	NA	PeJP	NA	NA
+PJ081320	PTQKMMW 	C41H64N10O10S2	920.4249	NA	PeJP	NA	NA
+PJ081321	GNNQFRW 	C41H56N14O11	920.4253	NA	PeJP	NA	NA
+PJ081322	GGGGGQFRW 	C41H56N14O11	920.4254	NA	PeJP	NA	NA
+PJ081323	KMFFYW 	C49H60N8O8S	920.4255	NA	PeJP	NA	NA
+PJ081324	PCCMRRR 	C34H64N16O8S3	920.4256	NA	PeJP	NA	NA
+PJ081325	QKKEEEM 	C37H64N10O15S	920.4274	NA	PeJP	NA	NA
+PJ081326	PVVEEYW 	C45H60N8O13	920.428	NA	PeJP	NA	NA
+PJ081327	GPVQKMMM 	C38H68N10O10S3	920.4282	NA	PeJP	NA	NA
+PJ081328	GGGPLKMMM 	C38H68N10O10S3	920.4283	NA	PeJP	NA	NA
+PJ081329	GSEMRRW 	C38H60N14O11S	920.4287	NA	PeJP	NA	NA
+PJ081330	PPLMMFW 	C46H64N8O8S2	920.4289	NA	PeJP	NA	NA
+PJ081331	STRWWW 	C46H56N12O9	920.4294	NA	PeJP	NA	NA
+PJ081332	GSSTEERR 	C34H60N14O16	920.4312	NA	PeJP	NA	NA
+PJ081333	TLLEEMW 	C42H64N8O13S	920.4314	NA	PeJP	NA	NA
+PJ081334	AQEMMRR 	C35H64N14O11S2	920.4321	NA	PeJP	NA	NA
+PJ081335	PLLMMMW 	C43H68N8O8S3	920.4323	NA	PeJP	NA	NA
+PJ081336	SNDHHRR 	C35H56N18O12	920.4326	NA	PeJP	NA	NA
+PJ081337	DKMRWW 	C43H60N12O9S	920.4327	NA	PeJP	NA	NA
+PJ081338	VHFFWW 	C51H56N10O7	920.4334	NA	PeJP	NA	NA
+PJ081339	STTLLEEE 	C38H64N8O18	920.4339	NA	PeJP	NA	NA
+PJ081340	GVLLEEMM 	C39H68N8O13S2	920.4348	NA	PeJP	NA	NA
+PJ081341	SSKEERW 	C39H60N12O14	920.4352	NA	PeJP	NA	NA
+PJ081342	GGGGGGAPTKY 	C39H60N12O14	920.4353	NA	PeJP	NA	NA
+PJ081343	GLQMMRW 	C40H64N12O9S2	920.4361	NA	PeJP	NA	NA
+PJ081344	GTQHHRW 	C40H56N16O10	920.4366	NA	PeJP	NA	NA
+PJ081345	CLKWWW 	C48H60N10O7S	920.4368	NA	PeJP	NA	NA
+PJ081346	TQKEEMR 	C36H64N12O14S	920.4386	NA	PeJP	NA	NA
+PJ081347	ATTKEWW 	C44H60N10O12	920.4392	NA	PeJP	NA	NA
+PJ081348	GGTTTLWW 	C44H60N10O12	920.4393	NA	PeJP	NA	NA
+PJ081349	PQKMMMR 	C37H68N12O9S3	920.4395	NA	PeJP	NA	NA
+PJ081350	VNQMHHR 	C37H60N16O10S	920.4399	NA	PeJP	NA	NA
+PJ081351	GGVQMHHR 	C37H60N16O10S	920.44	NA	PeJP	NA	NA
+MJ097782	Bryostatin 1; 44-Hydroxy 	C47H68O18	920.440565	NA	MeJP	NA	NA
+PJ081352	QKHHWW 	C45H56N14O8	920.4406	NA	PeJP	NA	NA
+PJ081353	SSSSNQRR 	C33H60N16O15	920.4424	NA	PeJP	NA	NA
+PJ081354	GGGGSSSTRR 	C33H60N16O15	920.4425	NA	PeJP	NA	NA
+PJ081355	AKKEEMW 	C41H64N10O12S	920.4426	NA	PeJP	NA	NA
+PJ081356	VKYYYW 	C49H60N8O10	920.4433	NA	PeJP	NA	NA
+PJ081357	SMRRWW 	C42H60N14O8S	920.444	NA	PeJP	NA	NA
+PJ081358	GTTKKEEE 	C37H64N10O17	920.4451	NA	PeJP	NA	NA
+PJ081359	LLEEMMR 	C38H68N10O12S2	920.446	NA	PeJP	NA	NA
+MJ097783	3,12-Dihydroxyhexadecanoic acid, 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl(1?3)-?-D-glucopyranosyl(1?3)-?-D-glucopyranoside] 	C40H72O23	920.446438	NA	MeJP	NA	NA
+MJ097784	4,12-Dihydroxyhexadecanoic acid; 12-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C40H72O23	920.446438	NA	MeJP	NA	NA
+PJ081360	SSTERRW 	C38H60N14O13	920.4465	NA	PeJP	NA	NA
+PJ081361	GLKMFYY 	C46H64N8O10S	920.4466	NA	PeJP	NA	NA
+PJ081362	PVLEMFW 	C46H64N8O10S	920.4467	NA	PeJP	NA	NA
+PJ081363	AAMMRRW 	C39H64N14O8S2	920.4473	NA	PeJP	NA	NA
+PJ081364	PTHHHHR 	C39H56N18O9	920.4478	NA	PeJP	NA	NA
+PJ081365	PPTTTLEY 	C42H64N8O15	920.4491	NA	PeJP	NA	NA
+PJ081366	GPTLLEEY 	C42H64N8O15	920.4492	NA	PeJP	NA	NA
+PJ081367	SDKEMRR 	C35H64N14O13S	920.4498	NA	PeJP	NA	NA
+PJ081368	GGGGGTTKMR 	C35H64N14O13S	920.4499	NA	PeJP	NA	NA
+PJ081369	VLLEMMW 	C43H68N8O10S2	920.45	NA	PeJP	NA	NA
+PJ081370	SSSLRWW 	C43H60N12O11	920.4505	NA	PeJP	NA	NA
+PJ081371	PCKMMRR 	C36H68N14O8S3	920.4507	NA	PeJP	NA	NA
+PJ081372	GQMHHRR 	C36H60N18O9S	920.4512	NA	PeJP	NA	NA
+PJ081373	SSLLLEEM 	C39H68N8O15S	920.4525	NA	PeJP	NA	NA
+PJ081374	SPVLLMMM 	C40H72N8O10S3	920.4534	NA	PeJP	NA	NA
+PJ081375	STLQMRW 	C40H64N12O11S	920.4538	NA	PeJP	NA	NA
+PJ081376	ATKEMRW 	C40H64N12O11S	920.4539	NA	PeJP	NA	NA
+PJ081377	AAPKYWW 	C48H60N10O9	920.4545	NA	PeJP	NA	NA
+PJ081378	SSSSSPTLR 	C36H64N12O16	920.4563	NA	PeJP	NA	NA
+PJ081379	GTTTKEER 	C36H64N12O16	920.4564	NA	PeJP	NA	NA
+PJ081380	VQKEMMR 	C37H68N12O11S2	920.4572	NA	PeJP	NA	NA
+PJ081381	GGGGGVKKMM 	C37H68N12O11S2	920.4573	NA	PeJP	NA	NA
+PJ081382	GNQQRRY 	C37H60N16O12	920.4577	NA	PeJP	NA	NA
+PJ081383	GTLKMWW 	C45H64N10O9S	920.4579	NA	PeJP	NA	NA
+PJ081384	KFFFFW 	C53H60N8O7	920.4585	NA	PeJP	NA	NA
+PJ081385	TTKKEEW 	C41H64N10O14	920.4604	NA	PeJP	NA	NA
+PJ081386	SSEMRRR 	C34H64N16O12S	920.4611	NA	PeJP	NA	NA
+PJ081387	VVQKMMW 	C42H68N10O9S2	920.4612	NA	PeJP	NA	NA
+PJ081388	PTKKMMW 	C42H68N10O9S2	920.4613	NA	PeJP	NA	NA
+PJ081389	GSPRRYW 	C42H60N14O10	920.4617	NA	PeJP	NA	NA
+PJ081390	GCHHRRR 	C35H60N20O8S	920.4624	NA	PeJP	NA	NA
+PJ081391	SPTTKKEM 	C38H68N10O14S	920.4637	NA	PeJP	NA	NA
+PJ081392	KKKEEEM 	C38H68N10O14S	920.4638	NA	PeJP	NA	NA
+PJ081393	PTLLEYW 	C46H64N8O12	920.4644	NA	PeJP	NA	NA
+PJ081394	GPVKKMMM 	C39H72N10O9S3	920.4646	NA	PeJP	NA	NA
+PJ081395	ATTMRRW 	C39H64N14O10S	920.4651	NA	PeJP	NA	NA
+PJ081396	VQFRWW 	C47H60N12O8	920.4657	NA	PeJP	NA	NA
+PJ081397	GGLFRWW 	C47H60N12O8	920.4658	NA	PeJP	NA	NA
+PJ081398	SSSSLERR 	C35H64N14O15	920.4676	NA	PeJP	NA	NA
+PJ081399	GPVLLEMY 	C43H68N8O12S	920.4678	NA	PeJP	NA	NA
+PJ081400	AKEMMRR 	C36H68N14O10S2	920.4685	NA	PeJP	NA	NA
+PJ081401	STQHHRR 	C36H60N18O11	920.4689	NA	PeJP	NA	NA
+PJ081402	GGGGPQHRR 	C36H60N18O11	920.469	NA	PeJP	NA	NA
+PJ081403	GPKMFRW 	C44H64N12O8S	920.4691	NA	PeJP	NA	NA
+PJ081404	SCILLLEM 	C40H72N8O12S2	920.4711	NA	PeJP	NA	NA
+PJ081405	ATLLLEMM 	C40H72N8O12S2	920.4712	NA	PeJP	NA	NA
+PJ081406	TTTKERW 	C40H64N12O13	920.4716	NA	PeJP	NA	NA
+PJ081407	GGGGGGGPPPVL 	C40H64N12O13	920.4717	NA	PeJP	NA	NA
+PJ081408	GLKMMRW 	C41H68N12O8S2	920.4725	NA	PeJP	NA	NA
+PJ081409	GTKHHRW 	C41H60N16O9	920.473	NA	PeJP	NA	NA
+PJ081410	TKKEEMR 	C37H68N12O13S	920.475	NA	PeJP	NA	NA
+PJ081411	STTLKWW 	C45H64N10O11	920.4756	NA	PeJP	NA	NA
+PJ081412	GGGGVLLYW 	C45H64N10O11	920.4757	NA	PeJP	NA	NA
+PJ081413	PKKMMMR 	C38H72N12O8S3	920.4759	NA	PeJP	NA	NA
+PJ081414	APCRRRY 	C38H64N16O9S	920.4763	NA	PeJP	NA	NA
+MJ097785	Cholesta-5,23-diene-1,3,16,25-tetrol, 1-O-?-D-Glucopyranoside, 16-O-(2-O-(3,4,5-trimethoxybenzoyl)-?-L-arabinopyranoside) 	C48H72O17	920.47695	NA	MeJP	NA	NA
+PJ081415	AFRRWW 	C46H60N14O7	920.477	NA	PeJP	NA	NA
+PJ081416	SSSSNKRR 	C34H64N16O14	920.4788	NA	PeJP	NA	NA
+MJ097786	Lysyl-?-aspartylserylphenylalanylvalyl-3-amino-?-(2-methylpropyl)-2-oxo-1-pyrrolidineacetylmethioninamide 	C42H68N10O11S	920.478973	NA	MeJP	NA	NA
+PJ081417	SLKKEMW 	C42H68N10O11S	920.479	NA	PeJP	NA	NA
+PJ081418	PPVLFYW 	C50H64N8O9	920.4797	NA	PeJP	NA	NA
+PJ081419	SSTLKKEE 	C38H68N10O16	920.4815	NA	PeJP	NA	NA
+PJ081420	AALKKEMM 	C39H72N10O11S2	920.4824	NA	PeJP	NA	NA
+PJ081421	TTTTRRW 	C39H64N14O12	920.4828	NA	PeJP	NA	NA
+PJ081422	GLQERRY 	C39H64N14O12	920.4829	NA	PeJP	NA	NA
+PJ081423	PVLLMYW 	C47H68N8O9S	920.483	NA	PeJP	NA	NA
+PJ081424	VVHHHHR 	C40H60N18O8	920.4842	NA	PeJP	NA	NA
+PJ081425	AALLLEEY 	C43H68N8O14	920.4855	NA	PeJP	NA	NA
+PJ081426	TTKEMRR 	C36H68N14O12S	920.4862	NA	PeJP	NA	NA
+PJ081427	GPLLLMMF 	C44H72N8O9S2	920.4864	NA	PeJP	NA	NA
+PJ081428	APTKRYW 	C44H64N12O10	920.4869	NA	PeJP	NA	NA
+PJ081429	PPCHRRR 	C37H64N18O8S	920.4876	NA	PeJP	NA	NA
+PJ081430	TTTLLLEM 	C40H72N8O14S	920.4889	NA	PeJP	NA	NA
+PJ081431	GLLLLMMM 	C41H76N8O9S3	920.4898	NA	PeJP	NA	NA
+PJ081432	STLKMRW 	C41H68N12O10S	920.4902	NA	PeJP	NA	NA
+PJ081433	GGSKKKMW 	C41H68N12O10S	920.4903	NA	PeJP	NA	NA
+PJ081434	AALKFWW 	C49H64N10O8	920.4909	NA	PeJP	NA	NA
+PJ081435	SSTTLKER 	C37H68N12O15	920.4927	NA	PeJP	NA	NA
+PJ081436	GGSSTKKKE 	C37H68N12O15	920.4928	NA	PeJP	NA	NA
+PJ081437	VKKEMMR 	C38H72N12O10S2	920.4936	NA	PeJP	NA	NA
+PJ081438	AAERRRY 	C38H64N16O11	920.4941	NA	PeJP	NA	NA
+PJ081439	PCLKKFW 	C46H68N10O8S	920.4943	NA	PeJP	NA	NA
+PJ081440	SSSTLLKW 	C42H68N10O13	920.4968	NA	PeJP	NA	NA
+PJ081441	TTTMRRR 	C35H68N16O11S	920.4975	NA	PeJP	NA	NA
+PJ081442	VVKKMMW 	C43H72N10O8S2	920.4976	NA	PeJP	NA	NA
+MJ097787	Furostane-2,3,22,26-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H76O19	920.49808	NA	MeJP	NA	NA
+MJ097788	Furostane-2,3,22,26-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H76O19	920.49808	NA	MeJP	NA	NA
+MJ097789	Furostane-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H76O19	920.49808	NA	MeJP	NA	NA
+MJ097790	Furostane-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H76O19	920.49808	NA	MeJP	NA	NA
+MJ097791	Furostane-3,22,26-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H76O19	920.49808	NA	MeJP	NA	NA
+C08904	Officinalisnin I	C45H76O19	920.4981	NA	KEGG	NA	NA
+PJ081443	LQRRYW 	C43H64N14O9	920.4981	NA	PeJP	NA	NA
+PJ081444	ATTLKKEM 	C39H72N10O13S	920.5001	NA	PeJP	NA	NA
+PJ081445	VVLLEYW 	C47H68N8O11	920.5008	NA	PeJP	NA	NA
+PJ081446	APKMRRY 	C40H68N14O9S	920.5015	NA	PeJP	NA	NA
+PJ081447	VKFRWW 	C48H64N12O7	920.5021	NA	PeJP	NA	NA
+PJ081448	SSTTTLRR 	C36H68N14O14	920.504	NA	PeJP	NA	NA
+PJ081449	APTLLLMY 	C44H72N8O11S	920.5042	NA	PeJP	NA	NA
+PJ081450	SLKMMRR 	C37H72N14O9S2	920.5048	NA	PeJP	NA	NA
+PJ081451	CQKKKMR 	C37H72N14O9S2	920.5049	NA	PeJP	NA	NA
+PJ081452	DRRRRY 	C37H64N18O10	920.5053	NA	PeJP	NA	NA
+PJ081453	STLLLLMM 	C41H76N8O11S2	920.5075	NA	PeJP	NA	NA
+PJ081454	GSSTKKKW 	C41H68N12O12	920.508	NA	PeJP	NA	NA
+PJ081455	TFRRRW 	C42H64N16O8	920.5093	NA	PeJP	NA	NA
+PJ081456	GPLHRRW 	C42H64N16O8	920.5094	NA	PeJP	NA	NA
+PJ081457	SSSLLKMR 	C38H72N12O12S	920.5114	NA	PeJP	NA	NA
+MJ097792	Schistostatin 211-18 	C46H68N10O10	920.511988	NA	MeJP	NA	NA
+PJ081458	SPLKKYW 	C46H68N10O10	920.512	NA	PeJP	NA	NA
+PJ081459	GVMFRRR 	C39H68N16O8S	920.5127	NA	PeJP	NA	NA
+MJ097793	Avermectin B1a; 22,23-Dihydro, 22?,23S-dihydroxy, O5-Me 	C49H76O16	920.513336	NA	MeJP	NA	NA
+MJ097794	Cucurbita-5,24-diene-3,7,16-triol, 16-O-(4,6-Di-O-acetyl-?-D-glucopyranoside), 3-O-(3,4-di-O-acetyl-?-D-xylopyranoside) 	C49H76O16	920.513336	NA	MeJP	NA	NA
+MJ097795	Periplocagenin; 20-O-[?-D-Cymaropyranosyl-(1?5)-3,7-dideoxy-O-methyl-?-D-gluco-2-heptulopyranosyl-(2?4)-dioxy-(1?3)-?-D-canaropyranoside] 	C49H76O16	920.513336	NA	MeJP	NA	NA
+MJ097796	Pregnane-3,8,12,14,17,20-hexol, 12-O-Benzoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H76O16	920.513336	NA	MeJP	NA	NA
+PJ081460	AAPLKKMY 	C43H72N10O10S	920.5154	NA	PeJP	NA	NA
+PJ081461	PVLLFFW 	C51H68N8O8	920.5161	NA	PeJP	NA	NA
+PJ081462	TTTTLKKE 	C39H72N10O15	920.5179	NA	PeJP	NA	NA
+PJ081463	GTLLKKMM 	C40H76N10O10S2	920.5188	NA	PeJP	NA	NA
+PJ081464	GLKERRY 	C40H68N14O11	920.5192	NA	PeJP	NA	NA
+PJ081465	GGGGVKKRY 	C40H68N14O11	920.5193	NA	PeJP	NA	NA
+PJ081466	VLLLMFW 	C48H72N8O8S	920.5194	NA	PeJP	NA	NA
+PJ081467	GTLLLLEY 	C44H72N8O13	920.5219	NA	PeJP	NA	NA
+PJ081468	GSSKKKMR 	C37H72N14O11S	920.5226	NA	PeJP	NA	NA
+MJ097797	Helicokinin III 	C45H68N12O9	920.523221	NA	MeJP	NA	NA
+PJ081469	GVLKRYW 	C45H68N12O9	920.5233	NA	PeJP	NA	NA
+PJ081470	MFRRRR 	C38H68N18O7S	920.524	NA	PeJP	NA	NA
+PJ081471	TCKKKKW 	C42H72N12O9S	920.5266	NA	PeJP	NA	NA
+PJ081472	TTTTTLKR 	C38H72N12O14	920.5291	NA	PeJP	NA	NA
+PJ081473	QKKKKMM 	C39H76N12O9S2	920.53	NA	PeJP	NA	NA
+PJ081474	GTLRRRY 	C39H68N16O10	920.5305	NA	PeJP	NA	NA
+PJ081475	LLQKKEY 	C43H72N10O12	920.5331	NA	PeJP	NA	NA
+PJ081476	GALLKKEY 	C43H72N10O12	920.5332	NA	PeJP	NA	NA
+PJ081477	LKRRYW 	C44H68N14O8	920.5345	NA	PeJP	NA	NA
+PJ081478	STTLLKKM 	C40H76N10O12S	920.5365	NA	PeJP	NA	NA
+PJ081479	TLLLLYW 	C48H72N8O10	920.5372	NA	PeJP	NA	NA
+PJ081480	ALKMFRR 	C41H72N14O8S	920.5379	NA	PeJP	NA	NA
+PJ081481	SSSTKKKR 	C37H72N14O13	920.5404	NA	PeJP	NA	NA
+PJ081482	GVLLLLMY 	C45H76N8O10S	920.5406	NA	PeJP	NA	NA
+PJ081483	CKKKKMR 	C38H76N14O8S2	920.5412	NA	PeJP	NA	NA
+PJ081484	SPLHRRR 	C38H68N18O9	920.5417	NA	PeJP	NA	NA
+PJ081485	VVKKERY 	C42H72N12O11	920.5444	NA	PeJP	NA	NA
+PJ081486	GTTKKKKM 	C39H76N12O11S	920.5478	NA	PeJP	NA	NA
+PJ081487	ALLKKYW 	C47H72N10O9	920.5484	NA	PeJP	NA	NA
+PJ081488	LLLLMRY 	C44H76N10O9S	920.5518	NA	PeJP	NA	NA
+PJ081489	SVLKRRY 	C41H72N14O10	920.5556	NA	PeJP	NA	NA
+PJ081490	SSLLLLLY 	C45H76N8O12	920.5583	NA	PeJP	NA	NA
+PJ081491	GKKKKFW 	C46H72N12O8	920.5597	NA	PeJP	NA	NA
+PJ081492	VLKKMFR 	C43H76N12O8S	920.563	NA	PeJP	NA	NA
+PJ081493	STTTKKKK 	C39H76N12O13	920.5655	NA	PeJP	NA	NA
+PJ081494	KKKKKMM 	C40H80N12O8S2	920.5664	NA	PeJP	NA	NA
+PJ081495	VLLQHRR 	C40H72N16O9	920.5669	NA	PeJP	NA	NA
+PJ081496	LLKKKEY 	C44H76N10O11	920.5695	NA	PeJP	NA	NA
+PJ081497	ALLLLLEH 	C44H76N10O11	920.5696	NA	PeJP	NA	NA
+PJ081498	GVLLLLFF 	C49H76N8O9	920.5736	NA	PeJP	NA	NA
+PJ081499	ALLHRRR 	C39H72N18O8	920.5781	NA	PeJP	NA	NA
+PJ081500	TLLKKRY 	C43H76N12O10	920.5808	NA	PeJP	NA	NA
+PJ081501	LLLLFFR 	C48H76N10O8	920.5848	NA	PeJP	NA	NA
+PJ081502	AKKKKRY 	C42H76N14O9	920.592	NA	PeJP	NA	NA
+PJ081503	VLLKHRR 	C41H76N16O8	920.6032	NA	PeJP	NA	NA
+PJ081504	SLLLLLLH 	C45H80N10O10	920.6059	NA	PeJP	NA	NA
+PJ081505	VKKKKKY 	C44H80N12O9	920.6172	NA	PeJP	NA	NA
+PJ081506	PPLLLLKK 	C46H84N10O9	920.6423	NA	PeJP	NA	NA
+MJ097798	Saccharopolyspora Glycolipid 1 	C49H92O15	920.643622	NA	MeJP	NA	NA
+HMDB10539	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	C61H92O6	920.689392	NA	HMDB2010	NA	NA
+C14120	2-Naphthoyl-CoA	C32H42N7O17P3S	921.1571	NA	KEGG	NA	NA
+C14121	Transferred to D02283	C32H42N7O17P3S	921.1571	NA	KEGG	NA	NA
+PJ081507	GCCCCCCNN 	C28H47N11O12S6	921.173	NA	PeJP	NA	NA
+PJ081508	GGGGGCCCCCC 	C28H47N11O12S6	921.1731	NA	PeJP	NA	NA
+PJ081509	GSCCCCCDE 	C29H47N9O15S5	921.1796	NA	PeJP	NA	NA
+PJ081510	GPCCCCCCM 	C30H51N9O10S7	921.1804	NA	PeJP	NA	NA
+PJ081511	SCCCCCDW 	C33H47N9O12S5	921.1948	NA	PeJP	NA	NA
+PJ081512	SSSCCCCDD 	C29H47N9O17S4	921.1973	NA	PeJP	NA	NA
+PJ081513	CCCCNDMM 	C30H51N9O12S6	921.1982	NA	PeJP	NA	NA
+PJ081514	CCCCCCER 	C29H51N11O11S6	921.2094	NA	PeJP	NA	NA
+PJ081515	CCCCNDDF 	C33H47N9O14S4	921.2126	NA	PeJP	NA	NA
+PJ081516	ACCCCCMW 	C34H51N9O9S6	921.2134	NA	PeJP	NA	NA
+MetaCyc04315	7-methyl-3-oxooctanoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(7-methyl-3-oxo-octanoyl) sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]-phosphinoyl]oxy- phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid;]	C30H50N7O18P3S1	921.214588	NA	metacyc	NA	NA
+C03685	7-Methyl-3-oxooctanoyl-CoA	C30H50N7O18P3S	921.2146	NA	KEGG	NA	NA
+PJ081517	GSSCCCCEM 	C30H51N9O14S5	921.2159	NA	PeJP	NA	NA
+PJ081518	CCCCCNHH 	C31H47N13O10S5	921.2173	NA	PeJP	NA	NA
+PJ081519	SCCCNDDY 	C33H47N9O16S3	921.2303	NA	PeJP	NA	NA
+PJ081520	SSCCCCMW 	C34H51N9O11S5	921.2312	NA	PeJP	NA	NA
+PJ081521	SSSSCCCDM 	C30H51N9O16S4	921.2337	NA	PeJP	NA	NA
+PJ081522	SCCCNMMM 	C31H55N9O11S6	921.2346	NA	PeJP	NA	NA
+PJ081523	GPPCCCCCH 	C33H51N11O10S5	921.2424	NA	PeJP	NA	NA
+PJ081524	TCCCCCMR 	C30H55N11O10S6	921.2458	NA	PeJP	NA	NA
+PJ081525	GCCCNEMY 	C34H51N9O13S4	921.249	NA	PeJP	NA	NA
+HMDB06404	Decanoyl-CoA (n-C10:0CoA)	C31H54N7O17P3S	921.250977	NA	HMDB2010	NA	NA
+HMDB06404	Decanoyl-CoA (n-C10:0CoA)	C31H54N7O17P3S	921.25098	http://www.hmdb.ca/metabolites/HMDB06404	HMDB	NA	NA
+HMDB06404	Decanoyl-CoA (n-C10:0CoA)	C31H54N7O17P3S	921.25098	HMDB06404	PFEM_hmdb_metabocards_official	NA	NA
+C05274	Decanoyl-CoA	C31H54N7O17P3S	921.251	NA	KEGG	NA	NA
+PJ081526	GSSTCCCMM 	C31H55N9O13S5	921.2523	NA	PeJP	NA	NA
+PJ081527	CCCNNNDH 	C31H47N13O14S3	921.2528	NA	PeJP	NA	NA
+PJ081528	SCCNDDEH 	C32H47N11O17S2	921.2593	NA	PeJP	NA	NA
+PJ081529	GCCCCDRY 	C33H51N11O12S4	921.2602	NA	PeJP	NA	NA
+PJ081530	CCCNMYW 	C38H51N9O10S4	921.2642	NA	PeJP	NA	NA
+PJ081531	PCNDDDDE 	C33H47N9O20S	921.2658	NA	PeJP	NA	NA
+PJ081532	GGPCDDDDE 	C33H47N9O20S	921.2659	NA	PeJP	NA	NA
+PJ081533	SSCCNDMY 	C34H51N9O15S3	921.2667	NA	PeJP	NA	NA
+PJ081534	PCCCCCKY 	C35H55N9O10S5	921.2676	NA	PeJP	NA	NA
+PJ081535	CDDDEYY 	C38H47N7O18S	921.2699	NA	PeJP	NA	NA
+PJ081536	SSSSSCCMM 	C31H55N9O15S4	921.2701	NA	PeJP	NA	NA
+PJ081537	TCCCCKMM 	C32H59N9O10S6	921.271	NA	PeJP	NA	NA
+PJ081538	CDEMMMY 	C36H55N7O13S4	921.2741	NA	PeJP	NA	NA
+PJ081539	GSCCDDHW 	C36H47N11O14S2	921.2746	NA	PeJP	NA	NA
+PJ081540	APCCCCHW 	C37H51N11O9S4	921.2755	NA	PeJP	NA	NA
+PJ081541	GSSSCDDDH 	C32H47N11O19S	921.2771	NA	PeJP	NA	NA
+PJ081542	GCNDDMMH 	C33H51N11O14S3	921.278	NA	PeJP	NA	NA
+PJ081543	GCCCCMFR 	C34H55N11O9S5	921.2788	NA	PeJP	NA	NA
+PJ081544	GPCDDDDW 	C37H47N9O17S	921.2811	NA	PeJP	NA	NA
+MetaCyc04316	dihydrocorphinate []	C42H51N6O14NI1	921.281673	NA	metacyc	NA	NA
+PJ081545	GSTCCCYW 	C38H51N9O12S3	921.282	NA	PeJP	NA	NA
+PJ081546	GNDDDEEE 	C33H47N9O22	921.2836	NA	PeJP	NA	NA
+PJ081547	GSSSSCCEY 	C34H51N9O17S2	921.2845	NA	PeJP	NA	NA
+PJ081548	GSCCQMMY 	C35H55N9O12S4	921.2853	NA	PeJP	NA	NA
+PJ081549	GPPPCCCDM 	C35H55N9O12S4	921.2854	NA	PeJP	NA	NA
+PJ081550	CNNNNNDD 	C31H47N13O18S	921.2883	NA	PeJP	NA	NA
+PJ081551	GGGGGGGGGGCDD 	C31H47N13O18S	921.2884	NA	PeJP	NA	NA
+PJ081552	CDDEMFY 	C39H51N7O15S2	921.2885	NA	PeJP	NA	NA
+PJ081553	GCCCDEHR 	C32H51N13O13S3	921.2892	NA	PeJP	NA	NA
+PJ081554	GCNDDDHF 	C36H47N11O16S	921.2923	NA	PeJP	NA	NA
+PJ081555	GGGCDDDHF 	C36H47N11O16S	921.2924	NA	PeJP	NA	NA
+PJ081556	CEMMMMF 	C37H59N7O10S5	921.2927	NA	PeJP	NA	NA
+PJ081557	CCNEMHW 	C37H51N11O11S3	921.2932	NA	PeJP	NA	NA
+PJ081558	SNNNDDDE 	C32H47N11O21	921.2948	NA	PeJP	NA	NA
+PJ081559	GDDDDDDR 	C32H47N11O21	921.2949	NA	PeJP	NA	NA
+PJ081560	SSCNDEMH 	C33H51N11O16S2	921.2957	NA	PeJP	NA	NA
+PJ081561	GSCCCMRY 	C34H55N11O11S4	921.2966	NA	PeJP	NA	NA
+PJ081562	GCCNDHHH 	C34H47N15O12S2	921.2971	NA	PeJP	NA	NA
+PJ081563	CCCNFFW 	C42H51N9O9S3	921.2972	NA	PeJP	NA	NA
+PJ081564	NDDDEEW 	C37H47N9O19	921.2989	NA	PeJP	NA	NA
+PJ081565	SSSSCCYW 	C38H51N9O14S2	921.2997	NA	PeJP	NA	NA
+PJ081566	SSSSSSCDY 	C34H51N9O19S	921.3022	NA	PeJP	NA	NA
+PJ081567	SSSCNMMY 	C35H55N9O14S3	921.3031	NA	PeJP	NA	NA
+PJ081568	GCCCKMMF 	C36H59N9O9S5	921.304	NA	PeJP	NA	NA
+PJ081569	CCCDHRW 	C36H51N13O10S3	921.3044	NA	PeJP	NA	NA
+PJ081570	SDDEMYY 	C39H51N7O17S	921.3062	NA	PeJP	NA	NA
+PJ081571	SSCCDDHR 	C32H51N13O15S2	921.3069	NA	PeJP	NA	NA
+PJ081572	GGGGGSSTCCH 	C32H51N13O15S2	921.307	NA	PeJP	NA	NA
+PJ081573	PCDMMYY 	C40H55N7O12S3	921.3071	NA	PeJP	NA	NA
+PJ081574	PTCCCCHR 	C33H55N13O10S4	921.3078	NA	PeJP	NA	NA
+PJ081575	GCCMHWW 	C41H51N11O8S3	921.3085	NA	PeJP	NA	NA
+PJ081576	EEEEEEE 	C35H51N7O22	921.3088	NA	PeJP	NA	NA
+PJ081577	GSNNDDDW 	C36H47N11O18	921.3101	NA	PeJP	NA	NA
+PJ081578	SEMMMMY 	C37H59N7O12S4	921.3105	NA	PeJP	NA	NA
+PJ081579	GSSCDMHW 	C37H51N11O13S2	921.311	NA	PeJP	NA	NA
+PJ081580	SPCDDDDR 	C33H51N11O18S	921.3135	NA	PeJP	NA	NA
+PJ081581	GDDDEWW 	C41H47N9O16	921.3141	NA	PeJP	NA	NA
+PJ081582	SSTCCCRY 	C34H55N11O13S3	921.3143	NA	PeJP	NA	NA
+PJ081583	GGGGAPPTCCC 	C34H55N11O13S3	921.3144	NA	PeJP	NA	NA
+PJ081584	GCCQYYW 	C42H51N9O11S2	921.315	NA	PeJP	NA	NA
+PJ081585	GSPDDDMW 	C38H51N9O16S	921.3175	NA	PeJP	NA	NA
+PJ081586	CNNMMFY 	C39H55N9O11S3	921.3183	NA	PeJP	NA	NA
+PJ081587	GPPCCEMW 	C39H55N9O11S3	921.3184	NA	PeJP	NA	NA
+PJ081588	GSNEEEEE 	C34H51N9O21	921.32	NA	PeJP	NA	NA
+PJ081589	GSSSSTCMY 	C35H55N9O16S2	921.3208	NA	PeJP	NA	NA
+PJ081590	GPNDEEMM 	C35H55N9O16S2	921.3209	NA	PeJP	NA	NA
+PJ081591	PCDDFYY 	C43H51N7O14S	921.3215	NA	PeJP	NA	NA
+PJ081592	GSCCKMMY 	C36H59N9O11S4	921.3217	NA	PeJP	NA	NA
+PJ081593	GCCNNQHF 	C36H51N13O12S2	921.3222	NA	PeJP	NA	NA
+PJ081594	GCNNDDER 	C32H51N13O17S	921.3247	NA	PeJP	NA	NA
+PJ081595	GEEMMYY 	C40H55N7O14S2	921.3249	NA	PeJP	NA	NA
+PJ081596	GSCCEMHR 	C33H55N13O12S3	921.3256	NA	PeJP	NA	NA
+PJ081597	PCMMMFY 	C41H59N7O9S4	921.3257	NA	PeJP	NA	NA
+PJ081598	STCCHWW 	C41H51N11O10S2	921.3262	NA	PeJP	NA	NA
+PJ081599	SSSSCEHW 	C37H51N11O15S	921.3287	NA	PeJP	NA	NA
+PJ081600	CLMMMMY 	C38H63N7O9S5	921.3291	NA	PeJP	NA	NA
+PJ081601	DDDWWW 	C45H47N9O13	921.3294	NA	PeJP	NA	NA
+PJ081602	SCQMMHW 	C38H55N11O10S3	921.3296	NA	PeJP	NA	NA
+PJ081603	GSDDDEER 	C33H51N11O20	921.3312	NA	PeJP	NA	NA
+PJ081604	GPCDDEMR 	C34H55N11O15S2	921.3321	NA	PeJP	NA	NA
+PJ081605	GNNNDDHH 	C34H47N15O16	921.3326	NA	PeJP	NA	NA
+PJ081606	SPCDEWW 	C42H51N9O13S	921.3327	NA	PeJP	NA	NA
+PJ081607	GGGGCDFFY 	C42H51N9O13S	921.3328	NA	PeJP	NA	NA
+PJ081608	NQMMMMH 	C35H59N11O10S4	921.333	NA	PeJP	NA	NA
+PJ081609	GSCNMHHH 	C35H51N15O11S2	921.3334	NA	PeJP	NA	NA
+PJ081610	PPCCMWW 	C43H55N9O8S3	921.3336	NA	PeJP	NA	NA
+PJ081611	SNEEEEW 	C38H51N9O18	921.3352	NA	PeJP	NA	NA
+PJ081612	GGSEEEEW 	C38H51N9O18	921.3353	NA	PeJP	NA	NA
+PJ081613	PNDEMMW 	C39H55N9O13S2	921.3361	NA	PeJP	NA	NA
+PJ081614	DDDHHHF 	C39H47N13O14	921.3366	NA	PeJP	NA	NA
+PJ081615	SSSSSSSMY 	C35H55N9O18S	921.3386	NA	PeJP	NA	NA
+PJ081616	SPDDYYY 	C43H51N7O16	921.3393	NA	PeJP	NA	NA
+PJ081617	SSTCCKMY 	C36H59N9O13S3	921.3395	NA	PeJP	NA	NA
+PJ081618	GSCNNNQW 	C36H51N13O14S	921.3399	NA	PeJP	NA	NA
+PJ081619	CNNDDRW 	C36H51N13O14S	921.34	NA	PeJP	NA	NA
+PJ081620	EMMYYW 	C44H55N7O11S2	921.3401	NA	PeJP	NA	NA
+PJ081621	SCCMHRW 	C37H55N13O9S3	921.3408	NA	PeJP	NA	NA
+PJ081622	CDHHHHH 	C37H47N17O10S	921.3413	NA	PeJP	NA	NA
+PJ081623	GSSSNNNNE 	C32H51N13O19	921.3424	NA	PeJP	NA	NA
+PJ081624	SSNNDDDR 	C32H51N13O19	921.3425	NA	PeJP	NA	NA
+PJ081625	STEEMYY 	C40H55N7O16S	921.3426	NA	PeJP	NA	NA
+PJ081626	SSSCDMHR 	C33H55N13O14S2	921.3433	NA	PeJP	NA	NA
+PJ081627	GGGGGGGGGQMM 	C33H55N13O14S2	921.3434	NA	PeJP	NA	NA
+PJ081628	SPMMMYY 	C41H59N7O11S3	921.3435	NA	PeJP	NA	NA
+PJ081629	GNNDMWW 	C41H51N11O12S	921.344	NA	PeJP	NA	NA
+PJ081630	CNMMMHR 	C34H59N13O9S4	921.3442	NA	PeJP	NA	NA
+PJ081631	SDDDERW 	C37H51N11O17	921.3465	NA	PeJP	NA	NA
+PJ081632	PCDDMRW 	C38H55N11O12S2	921.3473	NA	PeJP	NA	NA
+PJ081633	GGGSPCQMW 	C38H55N11O12S2	921.3474	NA	PeJP	NA	NA
+PJ081634	NDEEEMR 	C34H55N11O17S	921.3498	NA	PeJP	NA	NA
+PJ081635	GGDEEEMR 	C34H55N11O17S	921.3499	NA	PeJP	NA	NA
+PJ081636	GSEEEWW 	C42H51N9O15	921.3505	NA	PeJP	NA	NA
+PJ081637	SPPCCEMR 	C35H59N11O12S3	921.3507	NA	PeJP	NA	NA
+PJ081638	SSSCQHHH 	C35H51N15O13S	921.3512	NA	PeJP	NA	NA
+PJ081639	GPDMMWW 	C43H55N9O10S2	921.3514	NA	PeJP	NA	NA
+PJ081640	AQEEEMW 	C39H55N9O15S	921.3539	NA	PeJP	NA	NA
+PJ081641	DEFYYW 	C47H51N7O13	921.3545	NA	PeJP	NA	NA
+PJ081642	GCNNNNMR 	C32H55N15O13S2	921.3546	NA	PeJP	NA	NA
+PJ081643	GPPTCMMW 	C40H59N9O10S3	921.3547	NA	PeJP	NA	NA
+PJ081644	GAPPPCCMF 	C40H59N9O10S3	921.3548	NA	PeJP	NA	NA
+PJ081645	PCNEHHW 	C40H51N13O11S	921.3552	NA	PeJP	NA	NA
+PJ081646	GSDKEEEE 	C35H55N9O20	921.3564	NA	PeJP	NA	NA
+PJ081647	GPTQEEMM 	C36H59N9O15S2	921.3572	NA	PeJP	NA	NA
+PJ081648	GGAPTEEMM 	C36H59N9O15S2	921.3573	NA	PeJP	NA	NA
+PJ081649	SSSNNNNW 	C36H51N13O16	921.3577	NA	PeJP	NA	NA
+PJ081650	GGGGGGGGGGGEF 	C36H51N13O16	921.3578	NA	PeJP	NA	NA
+PJ081651	GPEMYYY 	C44H55N7O13S	921.3579	NA	PeJP	NA	NA
+PJ081652	LEMMMMH 	C37H63N9O10S4	921.3581	NA	PeJP	NA	NA
+PJ081653	GSPCCNRW 	C37H55N13O11S2	921.3586	NA	PeJP	NA	NA
+PJ081654	PCMMFFF 	C45H59N7O8S3	921.3588	NA	PeJP	NA	NA
+PJ081655	CNQWWW 	C45H51N11O9S	921.3592	NA	PeJP	NA	NA
+PJ081656	DDDDMRR 	C33H55N13O16S	921.3611	NA	PeJP	NA	NA
+PJ081657	SVEMMYY 	C41H59N7O13S2	921.3613	NA	PeJP	NA	NA
+PJ081658	SSNNEWW 	C41H51N11O14	921.3617	NA	PeJP	NA	NA
+PJ081659	GGGGGGPDYW 	C41H51N11O14	921.3618	NA	PeJP	NA	NA
+PJ081660	GSTCMMHR 	C34H59N13O11S3	921.362	NA	PeJP	NA	NA
+PJ081661	CLMMMFF 	C42H63N7O8S4	921.3621	NA	PeJP	NA	NA
+PJ081662	GNMMHFW 	C42H55N11O9S2	921.3626	NA	PeJP	NA	NA
+PJ081663	GDEEMRW 	C38H55N11O14S	921.3651	NA	PeJP	NA	NA
+PJ081664	NNYYYW 	C46H51N9O12	921.3657	NA	PeJP	NA	NA
+PJ081665	SEEWWW 	C46H51N9O12	921.3658	NA	PeJP	NA	NA
+PJ081666	SCKMMHW 	C39H59N11O9S3	921.366	NA	PeJP	NA	NA
+PJ081667	CNQHHHF 	C39H51N15O10S	921.3664	NA	PeJP	NA	NA
+PJ081668	GGCQHHHF 	C39H51N15O10S	921.3665	NA	PeJP	NA	NA
+PJ081669	GSSEEEER 	C34H55N11O19	921.3676	NA	PeJP	NA	NA
+PJ081670	GSPDEMMR 	C35H59N11O14S2	921.3685	NA	PeJP	NA	NA
+PJ081671	NDDEHHR 	C35H51N15O15	921.3689	NA	PeJP	NA	NA
+PJ081672	GGDDEHHR 	C35H51N15O15	921.369	NA	PeJP	NA	NA
+PJ081673	AAEEMWW 	C43H55N9O12S	921.3691	NA	PeJP	NA	NA
+PJ081674	NKMMMMH 	C36H63N11O9S4	921.3693	NA	PeJP	NA	NA
+PJ081675	GPPCMMMR 	C36H63N11O9S4	921.3694	NA	PeJP	NA	NA
+PJ081676	GTCCKHHH 	C36H55N15O10S2	921.3698	NA	PeJP	NA	NA
+PJ081677	GPCHHWW 	C44H51N13O8S	921.3705	NA	PeJP	NA	NA
+PJ081678	SDKEEEW 	C39H55N9O17	921.3716	NA	PeJP	NA	NA
+PJ081679	GSCNDDRR 	C32H55N15O15S	921.3723	NA	PeJP	NA	NA
+PJ081680	PTQEMMW 	C40H59N9O12S2	921.3725	NA	PeJP	NA	NA
+PJ081681	NNNNNFW 	C40H51N13O13	921.373	NA	PeJP	NA	NA
+PJ081682	PMYYYW 	C48H55N7O10S	921.3731	NA	PeJP	NA	NA
+PJ081683	GPCCCQRR 	C33H59N15O10S3	921.3732	NA	PeJP	NA	NA
+PJ081684	ACCHFRW 	C41H55N13O8S2	921.3738	NA	PeJP	NA	NA
+PJ081685	QKEEEEM 	C36H59N9O17S	921.375	NA	PeJP	NA	NA
+PJ081686	GVEEYYY 	C44H55N7O15	921.3756	NA	PeJP	NA	NA
+PJ081687	GPVQEMMM 	C37H63N9O12S3	921.3759	NA	PeJP	NA	NA
+PJ081688	SNNDMRW 	C37H55N13O13S	921.3763	NA	PeJP	NA	NA
+PJ081689	GGGGSDMRW 	C37H55N13O13S	921.3764	NA	PeJP	NA	NA
+PJ081690	APMMFYY 	C45H59N7O10S2	921.3765	NA	PeJP	NA	NA
+PJ081691	GSSNWWW 	C45H51N11O11	921.377	NA	PeJP	NA	NA
+PJ081692	VMMMHHH 	C38H59N13O8S3	921.3772	NA	PeJP	NA	NA
+PJ081693	SMHHHHH 	C38H51N17O9S	921.3777	NA	PeJP	NA	NA
+MJ097799	Taxol?; N-Debenzoyl, N-tigloyl, 10-de-Ac, 7-O-?-D-xylopyranoside 	C48H59NO17	921.378299	NA	MeJP	NA	NA
+PJ081694	SSSNNEER 	C33H55N13O18	921.3788	NA	PeJP	NA	NA
+PJ081695	GGGGSSSEER 	C33H55N13O18	921.3789	NA	PeJP	NA	NA
+PJ081696	SSSSMMHR 	C34H59N13O13S2	921.3797	NA	PeJP	NA	NA
+PJ081697	ALMMMYY 	C42H63N7O10S3	921.3799	NA	PeJP	NA	NA
+PJ081698	DEMRWW 	C42H55N11O11S	921.3804	NA	PeJP	NA	NA
+PJ081699	ASSSQQEW 	C38H55N11O16	921.3828	NA	PeJP	NA	NA
+PJ081700	SSEEERW 	C38H55N11O16	921.3829	NA	PeJP	NA	NA
+PJ081701	SPDMMRW 	C39H59N11O11S2	921.3837	NA	PeJP	NA	NA
+PJ081702	GGGGGGLMMW 	C39H59N11O11S2	921.3838	NA	PeJP	NA	NA
+PJ081703	GDDHHRW 	C39H51N15O12	921.3842	NA	PeJP	NA	NA
+PJ081704	VDMWWW 	C47H55N9O9S	921.3844	NA	PeJP	NA	NA
+PJ081705	TQEEEMR 	C35H59N11O16S	921.3862	NA	PeJP	NA	NA
+PJ081706	GGGGGTKEEM 	C35H59N11O16S	921.3863	NA	PeJP	NA	NA
+PJ081707	ATTEEWW 	C43H55N9O14	921.3869	NA	PeJP	NA	NA
+PJ081708	PQEMMMR 	C36H63N11O11S3	921.3871	NA	PeJP	NA	NA
+PJ081709	GSPCEHHR 	C36H55N15O12S	921.3876	NA	PeJP	NA	NA
+PJ081710	APTMMWW 	C44H59N9O9S2	921.3877	NA	PeJP	NA	NA
+PJ081711	PVTCMWW 	C44H59N9O9S2	921.3878	NA	PeJP	NA	NA
+PJ081712	QEHHWW 	C44H51N13O10	921.3882	NA	PeJP	NA	NA
+PJ081713	GSSSSNNNR 	C32H55N15O17	921.3901	NA	PeJP	NA	NA
+PJ081714	GSSSKMYY 	C40H59N9O14S	921.3902	NA	PeJP	NA	NA
+PJ081715	AKEEEMW 	C40H59N9O14S	921.3903	NA	PeJP	NA	NA
+PJ081716	VEYYYW 	C48H55N7O12	921.3909	NA	PeJP	NA	NA
+PJ081717	GGCNEMRR 	C33H59N15O12S2	921.391	NA	PeJP	NA	NA
+PJ081718	PVQMMMW 	C41H63N9O9S3	921.3911	NA	PeJP	NA	NA
+PJ081719	GSCQRWW 	C41H55N13O10S	921.3916	NA	PeJP	NA	NA
+PJ081720	STTLDQEE 	C36H59N9O19	921.3927	NA	PeJP	NA	NA
+PJ081721	GTTKEEEE 	C36H59N9O19	921.3928	NA	PeJP	NA	NA
+PJ081722	GPTKEEMM 	C37H63N9O14S2	921.3936	NA	PeJP	NA	NA
+PJ081723	GSSSNERW 	C37H55N13O15	921.3941	NA	PeJP	NA	NA
+PJ081724	SPVMYYY 	C45H59N7O12S	921.3943	NA	PeJP	NA	NA
+PJ081725	GPPKMMMM 	C38H67N9O9S4	921.3945	NA	PeJP	NA	NA
+PJ081726	GNQMMRW 	C38H59N13O10S2	921.395	NA	PeJP	NA	NA
+PJ081727	GSPNHHHH 	C38H51N17O11	921.3954	NA	PeJP	NA	NA
+PJ081728	GGGSPHHHH 	C38H51N17O11	921.3955	NA	PeJP	NA	NA
+PJ081729	CNKWWW 	C46H55N11O8S	921.3956	NA	PeJP	NA	NA
+PJ081730	SDEEMRR 	C34H59N13O15S	921.3975	NA	PeJP	NA	NA
+PJ081731	TTLMMYY 	C42H63N7O12S2	921.3976	NA	PeJP	NA	NA
+PJ081732	SSNDKWW 	C42H55N11O13	921.3981	NA	PeJP	NA	NA
+PJ081733	PCEMMRR 	C35H63N13O10S3	921.3983	NA	PeJP	NA	NA
+PJ081734	GGAPCCKMR 	C35H63N13O10S3	921.3984	NA	PeJP	NA	NA
+PJ081735	NNNMHHR 	C35H55N17O11S	921.3988	NA	PeJP	NA	NA
+PJ081736	ACKMHFW 	C43H59N11O8S2	921.399	NA	PeJP	NA	NA
+PJ081737	ATEEMRW 	C39H59N11O13S	921.4015	NA	PeJP	NA	NA
+PJ081738	AAPEYWW 	C47H55N9O11	921.4021	NA	PeJP	NA	NA
+PJ081739	GGPPDFFW 	C47H55N9O11	921.4022	NA	PeJP	NA	NA
+PJ081740	APMMMRW 	C40H63N11O8S3	921.4024	NA	PeJP	NA	NA
+PJ081741	SPCHHRW 	C40H55N15O9S	921.4028	NA	PeJP	NA	NA
+PJ081742	AHHWWW 	C48H51N13O7	921.4035	NA	PeJP	NA	NA
+PJ081743	GTTTEEER 	C35H59N11O18	921.404	NA	PeJP	NA	NA
+PJ081744	QQQKEMM 	C36H63N11O13S2	921.4048	NA	PeJP	NA	NA
+PJ081745	VQEEMMR 	C36H63N11O13S2	921.4049	NA	PeJP	NA	NA
+PJ081746	NNNNQRY 	C36H55N15O14	921.4053	NA	PeJP	NA	NA
+PJ081747	GGGGGGGGQRY 	C36H55N15O14	921.4054	NA	PeJP	NA	NA
+PJ081748	GTLEMWW 	C44H59N9O11S	921.4055	NA	PeJP	NA	NA
+PJ081749	PFFYYW 	C52H55N7O9	921.4062	NA	PeJP	NA	NA
+PJ081750	TTKEEEW 	C40H59N9O16	921.408	NA	PeJP	NA	NA
+PJ081751	GSSNDMRR 	C33H59N15O14S	921.4087	NA	PeJP	NA	NA
+PJ081752	PTKEMMW 	C41H63N9O11S2	921.4089	NA	PeJP	NA	NA
+PJ081753	SSSNRWW 	C41H55N13O12	921.4093	NA	PeJP	NA	NA
+PJ081754	GGSSSRWW 	C41H55N13O12	921.4094	NA	PeJP	NA	NA
+PJ081755	LMFYYW 	C49H59N7O9S	921.4095	NA	PeJP	NA	NA
+PJ081756	GPCCCKRR 	C34H63N15O9S3	921.4096	NA	PeJP	NA	NA
+PJ081757	AHHHHHF 	C42H51N17O8	921.4107	NA	PeJP	NA	NA
+PJ081758	KKEEEEM 	C37H63N9O16S	921.4114	NA	PeJP	NA	NA
+PJ081759	ATLEYYY 	C45H59N7O14	921.412	NA	PeJP	NA	NA
+PJ081760	SPPTKMMM 	C38H67N9O11S3	921.4122	NA	PeJP	NA	NA
+PJ081761	GPVKEMMM 	C38H67N9O11S3	921.4123	NA	PeJP	NA	NA
+PJ081762	SSQQMRW 	C38H59N13O12S	921.4127	NA	PeJP	NA	NA
+PJ081763	GGGGGGPPVMH 	C38H59N13O12S	921.4128	NA	PeJP	NA	NA
+PJ081764	ALMMFFY 	C46H63N7O9S2	921.4129	NA	PeJP	NA	NA
+PJ081765	PDRYWW 	C46H55N11O10	921.4134	NA	PeJP	NA	NA
+PJ081766	SSSNDKER 	C34H59N13O17	921.4152	NA	PeJP	NA	NA
+PJ081767	AEEMMRR 	C35H63N13O12S2	921.4161	NA	PeJP	NA	NA
+PJ081768	SDDHHRR 	C35H55N17O13	921.4166	NA	PeJP	NA	NA
+PJ081769	GSQKMWW 	C43H59N11O10S	921.4167	NA	PeJP	NA	NA
+PJ081770	GGGTKMWW 	C43H59N11O10S	921.4168	NA	PeJP	NA	NA
+PJ081771	PTFWWW 	C51H55N9O8	921.4174	NA	PeJP	NA	NA
+PJ081772	TTTEERW 	C39H59N11O15	921.4192	NA	PeJP	NA	NA
+PJ081773	GGASSTKEW 	C39H59N11O15	921.4193	NA	PeJP	NA	NA
+PJ081774	GLEMMRW 	C40H63N11O10S2	921.4201	NA	PeJP	NA	NA
+PJ081775	GTEHHRW 	C40H55N15O11	921.4206	NA	PeJP	NA	NA
+PJ081776	TLMWWW 	C48H59N9O8S	921.4208	NA	PeJP	NA	NA
+PJ081777	TKEEEMR 	C36H63N11O15S	921.4226	NA	PeJP	NA	NA
+PJ081778	STTLEWW 	C44H59N9O13	921.4233	NA	PeJP	NA	NA
+PJ081779	PKEMMMR 	C37H67N11O10S3	921.4235	NA	PeJP	NA	NA
+PJ081780	SSCQRRW 	C37H59N15O11S	921.4239	NA	PeJP	NA	NA
+PJ081781	GGSTCRRW 	C37H59N15O11S	921.424	NA	PeJP	NA	NA
+PJ081782	GVLMMWW 	C45H63N9O8S2	921.4241	NA	PeJP	NA	NA
+PJ081783	NNFRWW 	C45H55N13O9	921.4246	NA	PeJP	NA	NA
+PJ081784	SSSSNERR 	C33H59N15O16	921.4265	NA	PeJP	NA	NA
+PJ081785	SLKEEMW 	C41H63N9O13S	921.4266	NA	PeJP	NA	NA
+PJ081786	AAAAPVEMY 	C41H63N9O13S	921.4267	NA	PeJP	NA	NA
+PJ081787	GPLFYYY 	C49H59N7O11	921.4273	NA	PeJP	NA	NA
+PJ081788	GGGGGCCKKR 	C34H63N15O11S2	921.4274	NA	PeJP	NA	NA
+PJ081789	PVKMMMW 	C42H67N9O8S3	921.4275	NA	PeJP	NA	NA
+PJ081790	GSCKRWW 	C42H59N13O9S	921.428	NA	PeJP	NA	NA
+PJ081791	SSTLKEEE 	C37H63N9O18	921.4291	NA	PeJP	NA	NA
+PJ081792	AALKEEMM 	C38H67N9O13S2	921.43	NA	PeJP	NA	NA
+PJ081793	GSSSDKRW 	C38H59N13O14	921.4305	NA	PeJP	NA	NA
+PJ081794	AVLMYYY 	C46H63N7O11S	921.4306	NA	PeJP	NA	NA
+PJ081795	GLLMYYY 	C46H63N7O11S	921.4307	NA	PeJP	NA	NA
+PJ081796	ACQKMRW 	C39H63N13O9S2	921.4313	NA	PeJP	NA	NA
+PJ081797	GNKMMRW 	C39H63N13O9S2	921.4314	NA	PeJP	NA	NA
+PJ081798	VQQHHHH 	C39H55N17O10	921.4318	NA	PeJP	NA	NA
+PJ081799	PMFRWW 	C47H59N11O7S	921.432	NA	PeJP	NA	NA
+PJ081800	TTEEMRR 	C35H63N13O14S	921.4338	NA	PeJP	NA	NA
+PJ081801	GSSQKEMR 	C35H63N13O14S	921.4339	NA	PeJP	NA	NA
+PJ081802	SSTQKWW 	C43H59N11O12	921.4345	NA	PeJP	NA	NA
+PJ081803	PTMMMRR 	C36H67N13O9S3	921.4347	NA	PeJP	NA	NA
+PJ081804	GEMHHRR 	C36H59N17O10S	921.4352	NA	PeJP	NA	NA
+PJ081805	LMMRWW 	C44H63N11O7S2	921.4354	NA	PeJP	NA	NA
+PJ081806	THHRWW 	C44H55N15O8	921.4358	NA	PeJP	NA	NA
+PJ081807	STLEMRW 	C40H63N11O12S	921.4379	NA	PeJP	NA	NA
+PJ081808	GPTLYWW 	C48H59N9O10	921.4385	NA	PeJP	NA	NA
+PJ081809	SCNMRRR 	C33H63N17O10S2	921.4386	NA	PeJP	NA	NA
+PJ081810	GVMHHRW 	C41H59N15O8S	921.4392	NA	PeJP	NA	NA
+PJ081811	SSTTLEER 	C36H63N11O17	921.4404	NA	PeJP	NA	NA
+3133	ester transferases inhibitor	RMWYVPA	921.4404	celiac toxic	Inhouse_peptide	NA	peptide
+PJ081812	VKEEMMR 	C37H67N11O12S2	921.4412	NA	PeJP	NA	NA
+PJ081813	AATLEMMR 	C37H67N11O12S2	921.4413	NA	PeJP	NA	NA
+PJ081814	GSSSSRRW 	C37H59N15O13	921.4417	NA	PeJP	NA	NA
+PJ081815	GGGGGGGGPPPR 	C37H59N15O13	921.4418	NA	PeJP	NA	NA
+PJ081816	SSLLMWW 	C45H63N9O10S	921.4419	NA	PeJP	NA	NA
+PJ081817	LFFFYW 	C53H59N7O8	921.4425	NA	PeJP	NA	NA
+PJ081818	ACCKRRW 	C38H63N15O8S2	921.4426	NA	PeJP	NA	NA
+PJ081819	AQHHHHR 	C38H55N19O9	921.4431	NA	PeJP	NA	NA
+PJ081820	SSSTLLEW 	C41H63N9O15	921.4444	NA	PeJP	NA	NA
+PJ081821	GSSTQMRR 	C34H63N15O13S	921.4451	NA	PeJP	NA	NA
+PJ081822	VVKEMMW 	C42H67N9O10S2	921.4453	NA	PeJP	NA	NA
+PJ081823	AAQQRYW 	C42H59N13O11	921.4457	NA	PeJP	NA	NA
+PJ081824	GGGGGLRYW 	C42H59N13O11	921.4458	NA	PeJP	NA	NA
+PJ081825	ALMFFFF 	C50H63N7O8S	921.4459	NA	PeJP	NA	NA
+PJ081826	ATTLKEEM 	C38H67N9O15S	921.4478	NA	PeJP	NA	NA
+PJ081827	STLLYYY 	C46H63N7O13	921.4484	NA	PeJP	NA	NA
+PJ081828	APTLKMMM 	C39H71N9O10S3	921.4486	NA	PeJP	NA	NA
+PJ081829	GGGLLLMMM 	C39H71N9O10S3	921.4487	NA	PeJP	NA	NA
+PJ081830	SSQKMRW 	C39H63N13O11S	921.4491	NA	PeJP	NA	NA
+PJ081831	VEFRWW 	C47H59N11O9	921.4498	NA	PeJP	NA	NA
+PJ081832	MHHRRW 	C40H59N17O7S	921.4505	NA	PeJP	NA	NA
+PJ081833	SSSTQKER 	C35H63N13O16	921.4516	NA	PeJP	NA	NA
+PJ081834	SLEMMRR 	C36H67N13O11S2	921.4525	NA	PeJP	NA	NA
+PJ081835	STEHHRR 	C36H59N17O12	921.4529	NA	PeJP	NA	NA
+PJ081836	PNNEHRR 	C36H59N17O12	921.453	NA	PeJP	NA	NA
+PJ081837	GSKKMWW 	C44H63N11O9S	921.4531	NA	PeJP	NA	NA
+PJ081838	VVFWWW 	C52H59N9O7	921.4538	NA	PeJP	NA	NA
+PJ081839	GSSTKKEW 	C40H63N11O14	921.4556	NA	PeJP	NA	NA
+PJ081840	GGGGAALKEY 	C40H63N11O14	921.4557	NA	PeJP	NA	NA
+PJ081841	GSSTCRRR 	C33H63N17O12S	921.4563	NA	PeJP	NA	NA
+PJ081842	SVLMMRW 	C41H67N11O9S2	921.4565	NA	PeJP	NA	NA
+PJ081843	NQRRYW 	C41H59N15O10	921.457	NA	PeJP	NA	NA
+PJ081844	SSSLLEMR 	C37H67N11O14S	921.459	NA	PeJP	NA	NA
+PJ081845	SPLKEYW 	C45H63N9O12	921.4596	NA	PeJP	NA	NA
+PJ081846	PVTKEYW 	C45H63N9O12	921.4597	NA	PeJP	NA	NA
+PJ081847	LLQMMMR 	C38H71N11O9S3	921.4599	NA	PeJP	NA	NA
+PJ081848	SSCKRRW 	C38H63N15O10S	921.4603	NA	PeJP	NA	NA
+PJ081849	GGAQMFRR 	C38H63N15O10S	921.4604	NA	PeJP	NA	NA
+PJ081850	APKHHFW 	C46H59N13O8	921.461	NA	PeJP	NA	NA
+PJ081851	SSSSDKRR 	C34H63N15O15	921.4628	NA	PeJP	NA	NA
+PJ081852	GTTTLLMW 	C42H67N9O12S	921.463	NA	PeJP	NA	NA
+PJ081853	GLLFFYY 	C50H63N7O10	921.4637	NA	PeJP	NA	NA
+PJ081854	PPVMHRW 	C43H63N13O8S	921.4644	NA	PeJP	NA	NA
+PJ081855	TTTTLKEE 	C38H67N9O17	921.4655	NA	PeJP	NA	NA
+PJ081856	GTLLKEMM 	C39H71N9O12S2	921.4664	NA	PeJP	NA	NA
+PJ081857	GSSTTKRW 	C39H63N13O13	921.4669	NA	PeJP	NA	NA
+PJ081858	ACKKMRW 	C40H67N13O8S2	921.4677	NA	PeJP	NA	NA
+PJ081859	GPNHRRW 	C40H59N17O9	921.4682	NA	PeJP	NA	NA
+PJ081860	GSSKKEMR 	C36H67N13O13S	921.4702	NA	PeJP	NA	NA
+PJ081861	GGGGSTCKKK 	C36H67N13O13S	921.4703	NA	PeJP	NA	NA
+PJ081862	SSTKKWW 	C44H63N11O11	921.4709	NA	PeJP	NA	NA
+PJ081863	VVMMMRR 	C37H71N13O8S3	921.4711	NA	PeJP	NA	NA
+PJ081864	GCQFRRR 	C37H63N17O9S	921.4716	NA	PeJP	NA	NA
+MJ097800	Candidin 	C47H71NO17	921.472199	NA	MeJP	NA	NA
+MJ097801	Mycoheptin 	C47H71NO17	921.472199	NA	MeJP	NA	NA
+PJ081865	SSSSSRRR 	C33H63N17O14	921.4741	NA	PeJP	NA	NA
+PJ081866	SDKKKMW 	C41H67N11O11S	921.4743	NA	PeJP	NA	NA
+PJ081867	AALLYWW 	C49H63N9O9	921.4749	NA	PeJP	NA	NA
+PJ081868	TCCKRRR 	C34H67N17O9S2	921.475	NA	PeJP	NA	NA
+PJ081869	STTTQKKE 	C37H67N11O16	921.4767	NA	PeJP	NA	NA
+PJ081870	TTTTTLER 	C37H67N11O16	921.4768	NA	PeJP	NA	NA
+PJ081871	GTTLLMMR 	C38H71N11O11S2	921.4776	NA	PeJP	NA	NA
+PJ081872	GNKERRY 	C38H63N15O12	921.4781	NA	PeJP	NA	NA
+PJ081873	PVVKMYW 	C46H67N9O9S	921.4783	NA	PeJP	NA	NA
+PJ081874	AKHHHHR 	C39H59N19O8	921.4795	NA	PeJP	NA	NA
+PJ081875	STTTTLLW 	C42H67N9O14	921.4808	NA	PeJP	NA	NA
+PJ081876	GSSTKMRR 	C35H67N15O12S	921.4815	NA	PeJP	NA	NA
+PJ081877	TLLKMMW 	C43H71N9O9S2	921.4817	NA	PeJP	NA	NA
+PJ081878	LERRYW 	C43H63N13O10	921.4821	NA	PeJP	NA	NA
+PJ081879	ASSSTILLM 	C39H71N9O14S	921.4841	NA	PeJP	NA	NA
+PJ081880	STTLLKEM 	C39H71N9O14S	921.4842	NA	PeJP	NA	NA
+PJ081881	GVLLKMMM 	C40H75N9O9S3	921.485	NA	PeJP	NA	NA
+PJ081882	SSKKMRW 	C40H67N13O10S	921.4855	NA	PeJP	NA	NA
+PJ081883	VLRYWW 	C48H63N11O8	921.4861	NA	PeJP	NA	NA
+PJ081884	GAKKFWW 	C48H63N11O8	921.4862	NA	PeJP	NA	NA
+PJ081885	SSSTKKER 	C36H67N13O15	921.488	NA	PeJP	NA	NA
+PJ081886	TQKKMMR 	C37H71N13O10S2	921.4889	NA	PeJP	NA	NA
+PJ081887	GSQRRRY 	C37H63N17O11	921.4893	NA	PeJP	NA	NA
+PJ081888	GGPDKHRR 	C37H63N17O11	921.4894	NA	PeJP	NA	NA
+PJ081889	GLLMFRW 	C45H67N11O8S	921.4895	NA	PeJP	NA	NA
+PJ081890	SSSSLKKW 	C41H67N11O13	921.492	NA	PeJP	NA	NA
+PJ081891	AKKKMMW 	C42H71N11O8S2	921.4929	NA	PeJP	NA	NA
+PJ081892	NKRRYW 	C42H63N15O9	921.4934	NA	PeJP	NA	NA
+PJ081893	STTTLLMR 	C38H71N11O13S	921.4954	NA	PeJP	NA	NA
+PJ081894	ALLKEYW 	C46H67N9O11	921.496	NA	PeJP	NA	NA
+PJ081895	PPPVVVEW 	C46H67N9O11	921.4961	NA	PeJP	NA	NA
+PJ081896	LLKMMMR 	C39H75N11O8S3	921.4963	NA	PeJP	NA	NA
+PJ081897	GQKMFRR 	C39H67N15O9S	921.4967	NA	PeJP	NA	NA
+PJ081898	SSSTTKRR 	C35H67N15O14	921.4992	NA	PeJP	NA	NA
+PJ081899	GPTLLKMY 	C43H71N9O11S	921.4994	NA	PeJP	NA	NA
+PJ081900	TCKKMRR 	C36H71N15O9S2	921.5001	NA	PeJP	NA	NA
+PJ081901	SPNHRRR 	C36H63N19O10	921.5006	NA	PeJP	NA	NA
+PJ081902	SSSTTTLLL 	C39H71N9O16	921.5019	NA	PeJP	NA	NA
+PJ081903	SSLLLKMM 	C40H75N9O11S2	921.5028	NA	PeJP	NA	NA
+PJ081904	SVLERRY 	C40H67N13O12	921.5032	NA	PeJP	NA	NA
+PJ081905	VVTERRY 	C40H67N13O12	921.5033	NA	PeJP	NA	NA
+PJ081906	GLHHFRR 	C41H63N17O8	921.5046	NA	PeJP	NA	NA
+PJ081907	GTTTKKMR 	C37H71N13O12S	921.5066	NA	PeJP	NA	NA
+PJ081908	ATLLRYW 	C45H67N11O10	921.5073	NA	PeJP	NA	NA
+PJ081909	GCKFRRR 	C38H67N17O8S	921.508	NA	PeJP	NA	NA
+PJ081910	TTKKKMW 	C42H71N11O10S	921.5106	NA	PeJP	NA	NA
+PJ081911	GGLLLMRY 	C42H71N11O10S	921.5107	NA	PeJP	NA	NA
+PJ081912	PVVKFFW 	C50H67N9O8	921.5113	NA	PeJP	NA	NA
+PJ081913	STTTKKKE 	C38H71N11O15	921.5131	NA	PeJP	NA	NA
+PJ081914	KKKKEMM 	C39H75N11O10S2	921.514	NA	PeJP	NA	NA
+PJ081915	GDKKRRY 	C39H67N15O11	921.5145	NA	PeJP	NA	NA
+PJ081916	VVLKMFW 	C47H71N9O8S	921.5147	NA	PeJP	NA	NA
+PJ081917	LLKKEEY 	C43H71N9O13	921.5172	NA	PeJP	NA	NA
+PJ081918	AAKKRYW 	C44H67N13O9	921.5185	NA	PeJP	NA	NA
+PJ081919	ALLMRRY 	C41H71N13O9S	921.5219	NA	PeJP	NA	NA
+PJ081920	KKKFWW 	C49H67N11O7	921.5225	NA	PeJP	NA	NA
+PJ081921	STTTTKKR 	C37H71N13O14	921.5244	NA	PeJP	NA	NA
+PJ081922	TKKKMMR 	C38H75N13O9S2	921.5253	NA	PeJP	NA	NA
+PJ081923	GSKRRRY 	C38H67N17O10	921.5257	NA	PeJP	NA	NA
+MJ097802	Boromycin; N-Ac 	C47H76BNO16	921.525715	NA	MeJP	NA	NA
+PJ081924	TLLKERY 	C42H71N11O12	921.5284	NA	PeJP	NA	NA
+PJ081925	APKKHRW 	C43H67N15O8	921.5297	NA	PeJP	NA	NA
+PJ081926	PPLHFRR 	C43H67N15O8	921.5298	NA	PeJP	NA	NA
+PJ081927	SSTLKKKM 	C39H75N11O12S	921.5318	NA	PeJP	NA	NA
+PJ081928	SLLLKYW 	C47H71N9O10	921.5324	NA	PeJP	NA	NA
+PJ081929	GKKMFRR 	C40H71N15O8S	921.5331	NA	PeJP	NA	NA
+PJ081930	AALLLKMY 	C44H75N9O10S	921.5358	NA	PeJP	NA	NA
+PJ081931	GLQHRRR 	C37H67N19O9	921.537	NA	PeJP	NA	NA
+PJ081932	TTLLRRY 	C41H71N13O11	921.5396	NA	PeJP	NA	NA
+PJ081933	GGGGKKKKY 	C41H71N13O11	921.5397	NA	PeJP	NA	NA
+PJ081934	GLKKKYW 	C46H71N11O9	921.5437	NA	PeJP	NA	NA
+PJ081935	VLLKMRY 	C43H75N11O9S	921.547	NA	PeJP	NA	NA
+PJ081936	AAHRRRR 	C36H67N21O8	921.5482	NA	PeJP	NA	NA
+PJ081937	ATKKRRY 	C40H71N15O10	921.5509	NA	PeJP	NA	NA
+PJ081938	ATTLLLKY 	C44H75N9O12	921.5535	NA	PeJP	NA	NA
+PJ081939	SSVLLLKY 	C44H75N9O12	921.5536	NA	PeJP	NA	NA
+PJ081940	VVLLHRW 	C45H71N13O8	921.5549	NA	PeJP	NA	NA
+PJ081941	CLKKKFR 	C42H75N13O8S	921.5583	NA	PeJP	NA	NA
+PJ081942	PPLQRRR 	C39H71N17O9	921.5621	NA	PeJP	NA	NA
+PJ081943	VKKKKEY 	C43H75N11O11	921.5648	NA	PeJP	NA	NA
+PJ081944	APPLLLLW 	C48H75N9O9	921.5688	NA	PeJP	NA	NA
+PJ081945	GLKHRRR 	C38H71N19O8	921.5734	NA	PeJP	NA	NA
+PJ081946	SLKKKRY 	C42H75N13O10	921.576	NA	PeJP	NA	NA
+PJ081947	VLLKFFR 	C47H75N11O8	921.58	NA	PeJP	NA	NA
+PJ081948	LLLLKHW 	C47H75N11O8	921.5801	NA	PeJP	NA	NA
+PJ081949	LKKKKMF 	C44H79N11O8S	921.5834	NA	PeJP	NA	NA
+PJ081950	GPPVLKRR 	C41H75N15O9	921.5873	NA	PeJP	NA	NA
+PJ081951	ASPPVLLLL 	C45H79N9O11	921.5899	NA	PeJP	NA	NA
+PJ081952	PPLLLLKE 	C45H79N9O11	921.59	NA	PeJP	NA	NA
+MJ097803	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-[[3-(4-Hydroxyphenyl)propanoyl]-(?6)-6-amino-6-deoxy-?-D-glucopyranoside] 	C54H83NO11	921.596612	NA	MeJP	NA	NA
+PJ081953	PPLKRRR 	C40H75N17O8	921.5985	NA	PeJP	NA	NA
+PJ081954	PPTLLLLR 	C44H79N11O10	921.6012	NA	PeJP	NA	NA
+PJ081955	APPLLKKR 	C43H79N13O9	921.6124	NA	PeJP	NA	NA
+PJ081956	LLKKKHR 	C42H79N15O8	921.6236	NA	PeJP	NA	NA
+PJ081957	PLLLLLLQ 	C46H83N9O10	921.6263	NA	PeJP	NA	NA
+PJ081958	PVVLLLLR 	C45H83N11O9	921.6376	NA	PeJP	NA	NA
+PJ081959	PLLLLLLK 	C47H87N9O9	921.6627	NA	PeJP	NA	NA
+HMDB08650	PC(22:4(7Z,10Z,13Z,16Z)/24:0)	C54H100NO8P	921.718628	NA	HMDB2010	NA	NA
+HMDB08778	PC(24:0/22:4(7Z,10Z,13Z,16Z))	C54H100NO8P	921.718628	NA	HMDB2010	NA	NA
+MJ097804	Amarulone 	C40H26O26	922.071231	NA	MeJP	NA	NA
+PJ081960	GCCCCCCND 	C28H46N10O13S6	922.1571	NA	PeJP	NA	NA
+PJ081961	CCCCDDMM 	C30H50N8O13S6	922.1822	NA	PeJP	NA	NA
+PJ081962	GSCCCCCNM 	C29H50N10O12S6	922.1934	NA	PeJP	NA	NA
+MJ097805	3,3',4',5,7-Pentahydroxyflavan(2?7,4?8)-3,3',4',5,7-pentahydroxyflavan(4?8)-3,3',4',5,7-pentahydroxyflavan-4-acetic acid 	C47H38O20	922.195643	NA	MeJP	NA	NA
+PJ081963	CCCCDDDF 	C33H46N8O15S4	922.1966	NA	PeJP	NA	NA
+PJ081964	CCCCCDHH 	C31H46N12O11S5	922.2013	NA	PeJP	NA	NA
+PJ081965	SSSCCCCCQ 	C29H50N10O14S5	922.2112	NA	PeJP	NA	NA
+PJ081966	SCCCDDDY 	C33H46N8O17S3	922.2143	NA	PeJP	NA	NA
+PJ081967	PCCCCCEY 	C34H50N8O12S5	922.2152	NA	PeJP	NA	NA
+PJ081968	SCCCDMMM 	C31H54N8O12S6	922.2186	NA	PeJP	NA	NA
+PJ081969	CCCCCNQF 	C33H50N10O11S5	922.2264	NA	PeJP	NA	NA
+PJ081970	GGCCCCCQF 	C33H50N10O11S5	922.2265	NA	PeJP	NA	NA
+PJ081971	GSSSSSCCCC 	C29H50N10O16S4	922.2289	NA	PeJP	NA	NA
+PJ081972	GTCCCCCCK 	C30H54N10O11S6	922.2298	NA	PeJP	NA	NA
+PJ081973	GCCCDEMY 	C34H50N8O14S4	922.233	NA	PeJP	NA	NA
+PJ081974	CCCNNDDH 	C31H46N12O15S3	922.2368	NA	PeJP	NA	NA
+PJ081975	ACCCMMMM 	C32H58N8O9S7	922.2372	NA	PeJP	NA	NA
+PJ081976	SCCCCMHH 	C32H50N12O10S5	922.2377	NA	PeJP	NA	NA
+PJ081977	SCCDDDEH 	C32H46N10O18S2	922.2433	NA	PeJP	NA	NA
+PJ081978	SCCCCNQY 	C33H50N10O13S4	922.2442	NA	PeJP	NA	NA
+PJ081979	SSSCCCCCK 	C30H54N10O13S5	922.2476	NA	PeJP	NA	NA
+PJ081980	CCCDMYW 	C38H50N8O11S4	922.2482	NA	PeJP	NA	NA
+PJ081981	PCDDDDDE 	C33H46N8O21S	922.2499	NA	PeJP	NA	NA
+PJ081982	SSCCDDMY 	C34H50N8O16S3	922.2507	NA	PeJP	NA	NA
+PJ081983	PTCCCCMY 	C35H54N8O11S5	922.2516	NA	PeJP	NA	NA
+PJ081984	SSCCMMMM 	C32H58N8O11S6	922.255	NA	PeJP	NA	NA
+PJ081985	GSPCCCCNH 	C32H50N12O12S4	922.2554	NA	PeJP	NA	NA
+PJ081986	GGGSPCCCCH 	C32H50N12O12S4	922.2555	NA	PeJP	NA	NA
+PJ081987	GSSSCCCNY 	C33H50N10O15S3	922.262	NA	PeJP	NA	NA
+MJ097806	Caraganaphenol A 	C56H42O13	922.262541	NA	MeJP	NA	NA
+PJ081988	CCCCCNKF 	C34H54N10O10S5	922.2628	NA	PeJP	NA	NA
+PJ081989	GPCCCDYY 	C38H50N8O13S3	922.266	NA	PeJP	NA	NA
+PJ081990	CCCMMFW 	C39H54N8O8S5	922.2669	NA	PeJP	NA	NA
+PJ081991	GDDDDEEE 	C33H46N8O23	922.2676	NA	PeJP	NA	NA
+PJ081992	GSCCEMMY 	C35H54N8O13S4	922.2694	NA	PeJP	NA	NA
+PJ081993	ACCCCHHF 	C36H50N12O9S4	922.2707	NA	PeJP	NA	NA
+PJ081994	CNNNNDDD 	C31H46N12O19S	922.2723	NA	PeJP	NA	NA
+PJ081995	GGGGGGCNDDD 	C31H46N12O19S	922.2724	NA	PeJP	NA	NA
+PJ081996	SCCNNDMH 	C32H50N12O14S3	922.2732	NA	PeJP	NA	NA
+PJ081997	GCDDDDHF 	C36H46N10O17S	922.2764	NA	PeJP	NA	NA
+PJ081998	CCDEMHW 	C37H50N10O12S3	922.2772	NA	PeJP	NA	NA
+PJ081999	SNNDDDDE 	C32H46N10O22	922.2789	NA	PeJP	NA	NA
+PJ082000	SSCDDEMH 	C33H50N10O17S2	922.2797	NA	PeJP	NA	NA
+PJ082001	SCCCCNKY 	C34H54N10O12S4	922.2806	NA	PeJP	NA	NA
+PJ082002	GCCDDHHH 	C34H46N14O13S2	922.2811	NA	PeJP	NA	NA
+PJ082003	CCCDFFW 	C42H50N8O10S3	922.2812	NA	PeJP	NA	NA
+PJ082004	DDDDEEW 	C37H46N8O20	922.2829	NA	PeJP	NA	NA
+PJ082005	CNDDMYY 	C38H50N8O15S2	922.2837	NA	PeJP	NA	NA
+PJ082006	SCCMMYW 	C39H54N8O10S4	922.2846	NA	PeJP	NA	NA
+PJ082007	SPDDDDEM 	C34H50N8O20S	922.2862	NA	PeJP	NA	NA
+PJ082008	PTDDDDDM 	C34H50N8O20S	922.2863	NA	PeJP	NA	NA
+PJ082009	SSSCDMMY 	C35H54N8O15S3	922.2871	NA	PeJP	NA	NA
+PJ082010	CNMMMMY 	C36H58N8O10S5	922.288	NA	PeJP	NA	NA
+PJ082011	GSCCCQHW 	C36H50N12O11S3	922.2885	NA	PeJP	NA	NA
+PJ082012	GSSSCCNEH 	C32H50N12O16S2	922.291	NA	PeJP	NA	NA
+PJ082013	GCCNQMMH 	C33H54N12O11S4	922.2918	NA	PeJP	NA	NA
+PJ082014	GSNDDDDW 	C36H46N10O19	922.2941	NA	PeJP	NA	NA
+PJ082015	GPCCNDEW 	C37H50N10O14S2	922.295	NA	PeJP	NA	NA
+PJ082016	GNNDDEEM 	C33H50N10O19S	922.2975	NA	PeJP	NA	NA
+PJ082017	ASPPCCCNE 	C34H54N10O14S3	922.2983	NA	PeJP	NA	NA
+PJ082018	GSDDMMMH 	C34H54N10O14S3	922.2984	NA	PeJP	NA	NA
+PJ082019	GCCEYYW 	C42H50N8O12S2	922.299	NA	PeJP	NA	NA
+PJ082020	APCCMMMH 	C35H58N10O9S5	922.2992	NA	PeJP	NA	NA
+PJ082021	SPCCCHHH 	C35H50N14O10S3	922.2997	NA	PeJP	NA	NA
+PJ082022	GSSCDEYY 	C38H50N8O17S	922.3015	NA	PeJP	NA	NA
+PJ082023	CCNNNNNQ 	C31H50N14O15S2	922.3022	NA	PeJP	NA	NA
+PJ082024	GSPCCMYY 	C39H54N8O12S3	922.3024	NA	PeJP	NA	NA
+PJ082025	GCCCNMHR 	C32H54N14O10S4	922.3031	NA	PeJP	NA	NA
+PJ082026	GSDEEEEE 	C34H50N8O22	922.304	NA	PeJP	NA	NA
+PJ082027	GPDDEEMM 	C35H54N8O17S2	922.3049	NA	PeJP	NA	NA
+PJ082028	GSTCMMMY 	C36H58N8O12S4	922.3057	NA	PeJP	NA	NA
+PJ082029	SSSCCNHW 	C36H50N12O13S2	922.3062	NA	PeJP	NA	NA
+PJ082030	GCNDDDER 	C32H50N12O18S	922.3087	NA	PeJP	NA	NA
+PJ082031	SSCNNMMH 	C33H54N12O13S3	922.3096	NA	PeJP	NA	NA
+PJ082032	PCCNDWW 	C41H50N10O11S2	922.3102	NA	PeJP	NA	NA
+FL5FABGI0023	Epimedokoreanoside I	C43H54O22	922.31067	130756-11-5	knapsack	NA	NA
+MJ097807	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[2-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C43H54O22	922.310673	NA	MeJP	NA	NA
+MJ097808	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[6-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C43H54O22	922.310673	NA	MeJP	NA	NA
+MJ097809	Sambacolignoside 	C43H54O22	922.310673	NA	MeJP	NA	NA
+PJ082033	NNDDEMW 	C37H50N10O16S	922.3127	NA	PeJP	NA	NA
+PJ082034	GGGGDDEMW 	C37H50N10O16S	922.3128	NA	PeJP	NA	NA
+PJ082035	SCEMMHW 	C38H54N10O11S3	922.3136	NA	PeJP	NA	NA
+PJ082036	CCYYWW 	C46H50N8O9S2	922.3142	NA	PeJP	NA	NA
+PJ082037	SSNNDEEE 	C33H50N10O21	922.3152	NA	PeJP	NA	NA
+PJ082038	GGGGSSDEEE 	C33H50N10O21	922.3153	NA	PeJP	NA	NA
+PJ082039	SSSDEMMH 	C34H54N10O16S2	922.3161	NA	PeJP	NA	NA
+PJ082040	GNNDDDHH 	C34H46N14O17	922.3166	NA	PeJP	NA	NA
+PJ082041	SSCDYYW 	C42H50N8O14S	922.3167	NA	PeJP	NA	NA
+PJ082042	CNDDFFY 	C42H50N8O14S	922.3168	NA	PeJP	NA	NA
+PJ082043	NEMMMMH 	C35H58N10O11S4	922.317	NA	PeJP	NA	NA
+PJ082044	ASCCEHHH 	C35H50N14O12S2	922.3174	NA	PeJP	NA	NA
+PJ082045	GSCDMHHH 	C35H50N14O12S2	922.3175	NA	PeJP	NA	NA
+PJ082046	ACCMFYW 	C43H54N8O9S3	922.3176	NA	PeJP	NA	NA
+PJ082047	SSSSDDYY 	C38H50N8O19	922.3192	NA	PeJP	NA	NA
+PJ082048	SDEEEEW 	C38H50N8O19	922.3193	NA	PeJP	NA	NA
+PJ082049	GSSCNNNNN 	C31H50N14O17S	922.3199	NA	PeJP	NA	NA
+PJ082050	GGGGGSSCNNN 	C31H50N14O17S	922.32	NA	PeJP	NA	NA
+PJ082051	PDDEMMW 	C39H54N8O14S2	922.3201	NA	PeJP	NA	NA
+PJ082052	SSCCCQHR 	C32H54N14O12S3	922.3208	NA	PeJP	NA	NA
+PJ082053	CNMMMFF 	C40H58N8O9S4	922.321	NA	PeJP	NA	NA
+PJ082054	CCNNHFW 	C40H50N12O10S2	922.3215	NA	PeJP	NA	NA
+PJ082055	QEEEEEM 	C35H54N8O19S	922.3226	NA	PeJP	NA	NA
+PJ082056	SSSSMMMY 	C36H58N8O14S3	922.3235	NA	PeJP	NA	NA
+PJ082057	CNDDDRW 	C36H50N12O15S	922.324	NA	PeJP	NA	NA
+PJ082058	GSCCCKHW 	C37H54N12O10S3	922.3248	NA	PeJP	NA	NA
+PJ082059	SSNDDDDR 	C32H50N12O20	922.3265	NA	PeJP	NA	NA
+PJ082060	SPCCNDER 	C33H54N12O15S2	922.3273	NA	PeJP	NA	NA
+PJ082061	GGSPCCDER 	C33H54N12O15S2	922.3274	NA	PeJP	NA	NA
+PJ082062	GNDDMWW 	C41H50N10O13S	922.328	NA	PeJP	NA	NA
+PJ082063	CDMMMHR 	C34H58N12O10S4	922.3282	NA	PeJP	NA	NA
+PJ082064	PCCMHFW 	C42H54N10O8S3	922.3289	NA	PeJP	NA	NA
+PJ082065	GSSNDEEW 	C37H50N10O18	922.3305	NA	PeJP	NA	NA
+PJ082066	GSPCNEMW 	C38H54N10O13S2	922.3314	NA	PeJP	NA	NA
+PJ082067	GMMMMHW 	C39H58N10O8S4	922.3322	NA	PeJP	NA	NA
+PJ082068	TCCHHHW 	C39H50N14O9S2	922.3327	NA	PeJP	NA	NA
+PJ082069	DDEEEMR 	C34H54N10O18S	922.3339	NA	PeJP	NA	NA
+PJ082070	PDDDEFW 	C42H50N8O16	922.3345	NA	PeJP	NA	NA
+PJ082071	GSTEMMMH 	C35H58N10O13S3	922.3347	NA	PeJP	NA	NA
+PJ082072	GGGGGPEMMM 	C35H58N10O13S3	922.3348	NA	PeJP	NA	NA
+PJ082073	SSSCEHHH 	C35H50N14O14S	922.3352	NA	PeJP	NA	NA
+PJ082074	GTCMYYW 	C43H54N8O11S2	922.3354	NA	PeJP	NA	NA
+PJ082075	CQMMHHH 	C36H54N14O9S3	922.3361	NA	PeJP	NA	NA
+PJ082076	AEEEEMW 	C39H54N8O16S	922.3379	NA	PeJP	NA	NA
+PJ082077	GSSSSCCHR 	C32H54N14O14S2	922.3386	NA	PeJP	NA	NA
+PJ082078	GQMMMYY 	C40H58N8O11S3	922.3387	NA	PeJP	NA	NA
+PJ082079	GGAMMMYY 	C40H58N8O11S3	922.3388	NA	PeJP	NA	NA
+PJ082080	SCNNNWW 	C40H50N12O12S	922.3392	NA	PeJP	NA	NA
+PJ082081	ACCCCKHR 	C33H58N14O9S4	922.3395	NA	PeJP	NA	NA
+PJ082082	GTTEEEEE 	C35H54N8O21	922.3404	NA	PeJP	NA	NA
+PJ082083	GPTEEEMM 	C36H58N8O16S2	922.3413	NA	PeJP	NA	NA
+PJ082084	SSSNNNDW 	C36H50N12O17	922.3417	NA	PeJP	NA	NA
+PJ082085	GGGGGGGNDEF 	C36H50N12O17	922.3418	NA	PeJP	NA	NA
+PJ082086	GPPEMMMM 	C37H62N8O11S4	922.3421	NA	PeJP	NA	NA
+PJ082087	GSPCCDRW 	C37H54N12O12S2	922.3426	NA	PeJP	NA	NA
+PJ082088	CNEWWW 	C45H50N10O10S	922.3432	NA	PeJP	NA	NA
+PJ082089	GSNDDEMR 	C33H54N12O17S	922.3451	NA	PeJP	NA	NA
+PJ082090	SSNDEWW 	C41H50N10O15	922.3457	NA	PeJP	NA	NA
+PJ082091	GGSSDEWW 	C41H50N10O15	922.3458	NA	PeJP	NA	NA
+PJ082092	GPCNDMMR 	C34H58N12O12S3	922.346	NA	PeJP	NA	NA
+PJ082093	GCNNNQHH 	C34H50N16O13S	922.3464	NA	PeJP	NA	NA
+PJ082094	GGGGGCNQHH 	C34H50N16O13S	922.3465	NA	PeJP	NA	NA
+PJ082095	SPCNMWW 	C42H54N10O10S2	922.3466	NA	PeJP	NA	NA
+PJ082096	CCMHHHR 	C35H54N16O8S3	922.3473	NA	PeJP	NA	NA
+MJ097810	Precorrin 5 	C45H54N4O17	922.348396	NA	MeJP	NA	NA
+MetaCyc04317	precorrin-5 []	C45H54N4O17	922.348396	NA	metacyc	NA	NA
+C06416	Precorrin 5	C45H54N4O17	922.3484	NA	KEGG	NA	NA
+PJ082097	SNQEEMW 	C38H54N10O15S	922.3491	NA	PeJP	NA	NA
+PJ082098	NDYYYW 	C46H50N8O13	922.3498	NA	PeJP	NA	NA
+PJ082099	STMMMHW 	C39H58N10O10S3	922.35	NA	PeJP	NA	NA
+PJ082100	CNEHHHF 	C39H50N14O11S	922.3505	NA	PeJP	NA	NA
+PJ082101	ACCFFFW 	C47H54N8O8S2	922.3506	NA	PeJP	NA	NA
+PJ082102	SSSQQEEE 	C34H54N10O20	922.3516	NA	PeJP	NA	NA
+PJ082103	SSTTEMMH 	C35H58N10O15S2	922.3525	NA	PeJP	NA	NA
+PJ082104	GNNNNNNY 	C35H50N14O16	922.3529	NA	PeJP	NA	NA
+PJ082105	GGGNNNNNY 	C35H50N14O16	922.353	NA	PeJP	NA	NA
+PJ082106	SSSMYYW 	C43H54N8O13S	922.3531	NA	PeJP	NA	NA
+PJ082107	DKMMMMH 	C36H62N10O10S4	922.3534	NA	PeJP	NA	NA
+PJ082108	CCNNQRW 	C36H54N14O11S2	922.3538	NA	PeJP	NA	NA
+PJ082109	GGGGGACCRW 	C36H54N14O11S2	922.3539	NA	PeJP	NA	NA
+PJ082110	TTEEEEW 	C39H54N8O18	922.3556	NA	PeJP	NA	NA
+PJ082111	GAPEEEEY 	C39H54N8O18	922.3557	NA	PeJP	NA	NA
+PJ082112	GSCDDDRR 	C32H54N14O16S	922.3563	NA	PeJP	NA	NA
+PJ082113	GGGGGGSSCER 	C32H54N14O16S	922.3564	NA	PeJP	NA	NA
+PJ082114	PTEEMMW 	C40H58N8O13S2	922.3565	NA	PeJP	NA	NA
+PJ082115	NNNNDFW 	C40H50N12O14	922.357	NA	PeJP	NA	NA
+PJ082116	GPCCCERR 	C33H58N14O11S3	922.3572	NA	PeJP	NA	NA
+PJ082117	PPMMMMW 	C41H62N8O8S4	922.3574	NA	PeJP	NA	NA
+PJ082118	GCWWWW 	C49H50N10O7S	922.3585	NA	PeJP	NA	NA
+PJ082119	KEEEEEM 	C36H58N8O18S	922.359	NA	PeJP	NA	NA
+PJ082120	GPVEEMMM 	C37H62N8O13S3	922.3599	NA	PeJP	NA	NA
+PJ082121	GSSNNQMW 	C37H54N12O14S	922.3603	NA	PeJP	NA	NA
+PJ082122	SNDDMRW 	C37H54N12O14S	922.3604	NA	PeJP	NA	NA
+PJ082123	GSSDWWW 	C45H50N10O12	922.361	NA	PeJP	NA	NA
+PJ082124	PCCQMRW 	C38H58N12O9S3	922.3612	NA	PeJP	NA	NA
+PJ082125	GSSSSSSSTH 	C33H54N12O19	922.3628	NA	PeJP	NA	NA
+PJ082126	SSSNDEER 	C33H54N12O19	922.3629	NA	PeJP	NA	NA
+PJ082127	NNEEMMR 	C34H58N12O14S2	922.3637	NA	PeJP	NA	NA
+PJ082128	GGGGGGGDKMM 	C34H58N12O14S2	922.3638	NA	PeJP	NA	NA
+PJ082129	SSNNNNHH 	C34H50N16O15	922.3642	NA	PeJP	NA	NA
+PJ082130	GSQEMWW 	C42H54N10O12S	922.3644	NA	PeJP	NA	NA
+PJ082131	SMMMMHR 	C35H62N12O9S4	922.3646	NA	PeJP	NA	NA
+PJ082132	GPCCNHHR 	C35H54N16O10S2	922.3651	NA	PeJP	NA	NA
+PJ082133	GCHHHFW 	C43H50N14O8S	922.3657	NA	PeJP	NA	NA
+PJ082134	GSSTQEEW 	C38H54N10O17	922.3669	NA	PeJP	NA	NA
+PJ082135	AQQEMMW 	C39H58N10O12S2	922.3677	NA	PeJP	NA	NA
+PJ082136	GAAQEMMW 	C39H58N10O12S2	922.3678	NA	PeJP	NA	NA
+PJ082137	SNNEHHW 	C39H50N14O13	922.3682	NA	PeJP	NA	NA
+PJ082138	NMFYYW 	C47H54N8O10S	922.3684	NA	PeJP	NA	NA
+PJ082139	GTTQQEEM 	C35H58N10O17S	922.3702	NA	PeJP	NA	NA
+PJ082140	TEEEEMR 	C35H58N10O17S	922.3703	NA	PeJP	NA	NA
+PJ082141	APEEEYW 	C43H54N8O15	922.3709	NA	PeJP	NA	NA
+PJ082142	PEEMMMR 	C36H62N10O12S3	922.3711	NA	PeJP	NA	NA
+PJ082143	GSSCNNRW 	C36H54N14O13S	922.3716	NA	PeJP	NA	NA
+PJ082144	PPDMMFW 	C44H58N8O10S2	922.3718	NA	PeJP	NA	NA
+PJ082145	EEHHWW 	C44H50N12O11	922.3722	NA	PeJP	NA	NA
+PJ082146	PCCCRRW 	C37H58N14O8S3	922.3725	NA	PeJP	NA	NA
+PJ082147	GSSSSNNDR 	C32H54N14O18	922.3741	NA	PeJP	NA	NA
+PJ082148	SLEEEMW 	C40H58N8O15S	922.3743	NA	PeJP	NA	NA
+PJ082149	SVCCNNQR 	C33H58N14O13S2	922.3749	NA	PeJP	NA	NA
+PJ082150	CNDEMRR 	C33H58N14O13S2	922.375	NA	PeJP	NA	NA
+PJ082151	PVEMMMW 	C41H62N8O10S3	922.3751	NA	PeJP	NA	NA
+PJ082152	GSCERWW 	C41H54N12O11S	922.3756	NA	PeJP	NA	NA
+PJ082153	SSTLEEEE 	C36H58N8O20	922.3768	NA	PeJP	NA	NA
+PJ082154	SSPLEEMM 	C37H62N8O15S2	922.3776	NA	PeJP	NA	NA
+PJ082155	AALEEEMM 	C37H62N8O15S2	922.3777	NA	PeJP	NA	NA
+PJ082156	GSSSDERW 	C37H54N12O16	922.3781	NA	PeJP	NA	NA
+PJ082157	SPPVMMMM 	C38H66N8O10S4	922.3785	NA	PeJP	NA	NA
+PJ082158	GNEMMRW 	C38H58N12O11S2	922.379	NA	PeJP	NA	NA
+PJ082159	GSPDHHHH 	C38H50N16O12	922.3795	NA	PeJP	NA	NA
+PJ082160	SQMWWW 	C46H54N10O9S	922.3796	NA	PeJP	NA	NA
+PJ082161	GSSQEEMR 	C34H58N12O16S	922.3815	NA	PeJP	NA	NA
+PJ082162	SSTQEWW 	C42H54N10O14	922.3821	NA	PeJP	NA	NA
+PJ082163	GGGAAEEFW 	C42H54N10O14	922.3822	NA	PeJP	NA	NA
+PJ082164	GSPNMMMR 	C35H62N12O11S3	922.3824	NA	PeJP	NA	NA
+PJ082165	NNDMHHR 	C35H54N16O12S	922.3828	NA	PeJP	NA	NA
+PJ082166	GGGGGGGCKHH 	C35H54N16O12S	922.3829	NA	PeJP	NA	NA
+PJ082167	AAQMMWW 	C43H58N10O9S2	922.383	NA	PeJP	NA	NA
+MJ097811	Trillenogenin; 24-Epimer, 1-O-[2'',3'',4''-tri-O-acetyl-?-L-rhamnopyranosyl(1?2)-?-L-arabinopyranosyl], 24-O-Ac 	C45H62O20	922.383444	NA	MeJP	NA	NA
+PJ082168	GSNHHWW 	C43H50N14O10	922.3835	NA	PeJP	NA	NA
+PJ082169	SNKEEMW 	C39H58N10O14S	922.3855	NA	PeJP	NA	NA
+PJ082170	TQYYYW 	C47H54N8O12	922.3861	NA	PeJP	NA	NA
+PJ082171	PPDDFFW 	C47H54N8O12	922.3862	NA	PeJP	NA	NA
+PJ082172	PCQKMMW 	C40H62N10O9S3	922.3864	NA	PeJP	NA	NA
+PJ082173	GQQMHHW 	C40H54N14O10S	922.3868	NA	PeJP	NA	NA
+PJ082174	GGAQMHHW 	C40H54N14O10S	922.3869	NA	PeJP	NA	NA
+PJ082175	SSSQKEEE 	C35H58N10O19	922.388	NA	PeJP	NA	NA
+PJ082176	VEEEMMR 	C36H62N10O14S2	922.3889	NA	PeJP	NA	NA
+PJ082177	NNNNERY 	C36H54N14O15	922.3893	NA	PeJP	NA	NA
+PJ082178	GGGGNNERY 	C36H54N14O15	922.3894	NA	PeJP	NA	NA
+PJ082179	PPTEMYW 	C44H58N8O12S	922.3895	NA	PeJP	NA	NA
+PJ082180	GCDMRRW 	C37H58N14O10S2	922.3902	NA	PeJP	NA	NA
+PJ082181	NNQHHHH 	C37H50N18O11	922.3907	NA	PeJP	NA	NA
+PJ082182	SCRWWW 	C45H54N12O8S	922.3909	NA	PeJP	NA	NA
+PJ082183	SSTTTTYY 	C40H58N8O17	922.392	NA	PeJP	NA	NA
+PJ082184	GSSDDMRR 	C33H58N14O15S	922.3927	NA	PeJP	NA	NA
+PJ082185	VVEEMMW 	C41H62N8O12S2	922.3929	NA	PeJP	NA	NA
+PJ082186	SSSDRWW 	C41H54N12O13	922.3934	NA	PeJP	NA	NA
+PJ082187	GPTCCMRR 	C34H62N14O10S3	922.3936	NA	PeJP	NA	NA
+PJ082188	NMMRWW 	C42H58N12O8S2	922.3942	NA	PeJP	NA	NA
+PJ082189	ATTLEEEM 	C37H62N8O17S	922.3954	NA	PeJP	NA	NA
+PJ082190	APTLEMMM 	C38H66N8O12S3	922.3963	NA	PeJP	NA	NA
+PJ082191	SSQEMRW 	C38H58N12O13S	922.3967	NA	PeJP	NA	NA
+PJ082192	GGGGGSSKMW 	C38H58N12O13S	922.3968	NA	PeJP	NA	NA
+PJ082193	GSTTWWW 	C46H54N10O11	922.3974	NA	PeJP	NA	NA
+PJ082194	PCCKMRW 	C39H62N12O8S3	922.3976	NA	PeJP	NA	NA
+PJ082195	GCQHHRW 	C39H54N16O9S	922.3981	NA	PeJP	NA	NA
+PJ082196	SSSTQEER 	C34H58N12O18	922.3992	NA	PeJP	NA	NA
+PJ082197	GGGGGSSSTKE 	C34H58N12O18	922.3993	NA	PeJP	NA	NA
+PJ082198	NDKEMMR 	C35H62N12O13S2	922.4001	NA	PeJP	NA	NA
+PJ082199	GSSNEHHR 	C35H54N16O14	922.4006	NA	PeJP	NA	NA
+PJ082200	ATTQMWW 	C43H58N10O11S	922.4007	NA	PeJP	NA	NA
+MJ097812	Keramamide H; 2'-Debromo, 5'-deoxy 	C43H58N10O11S	922.400723	NA	MeJP	NA	NA
+PJ082201	GSKEMWW 	C43H58N10O11S	922.4008	NA	PeJP	NA	NA
+PJ082202	NFFFYW 	C51H54N8O9	922.4014	NA	PeJP	NA	NA
+PJ082203	SSSSLQEW 	C39H58N10O16	922.4032	NA	PeJP	NA	NA
+PJ082204	GSSTKEEW 	C39H58N10O16	922.4033	NA	PeJP	NA	NA
+PJ082205	SSSCNNRR 	C32H58N16O14S	922.4039	NA	PeJP	NA	NA
+PJ082206	GGSSSCNRR 	C32H58N16O14S	922.404	NA	PeJP	NA	NA
+PJ082207	AQKEMMW 	C40H62N10O11S2	922.4041	NA	PeJP	NA	NA
+PJ082208	GGGGGPLMMF 	C40H62N10O11S2	922.4042	NA	PeJP	NA	NA
+PJ082209	GNNNRYW 	C40H54N14O12	922.4046	NA	PeJP	NA	NA
+PJ082210	GQMFFFF 	C48H58N8O9S	922.4048	NA	PeJP	NA	NA
+PJ082211	GSDKKEEM 	C36H62N10O16S	922.4066	NA	PeJP	NA	NA
+PJ082212	SPLEEYW 	C44H58N8O14	922.4073	NA	PeJP	NA	NA
+PJ082213	GPTQKMMM 	C37H66N10O11S3	922.4075	NA	PeJP	NA	NA
+PJ082214	SSCERRW 	C37H58N14O12S	922.408	NA	PeJP	NA	NA
+PJ082215	PPVMMYW 	C45H62N8O9S2	922.4082	NA	PeJP	NA	NA
+PJ082216	NDFRWW 	C45H54N12O10	922.4086	NA	PeJP	NA	NA
+PJ082217	PCHHHHR 	C38H54N18O8S	922.4093	NA	PeJP	NA	NA
+PJ082218	SSSSDERR 	C33H58N14O17	922.4105	NA	PeJP	NA	NA
+PJ082219	AAPLEEMY 	C41H62N8O14S	922.4107	NA	PeJP	NA	NA
+PJ082220	SNEMMRR 	C34H62N14O12S2	922.4113	NA	PeJP	NA	NA
+PJ082221	GGSEMMRR 	C34H62N14O12S2	922.4114	NA	PeJP	NA	NA
+PJ082222	GPPLMMMF 	C42H66N8O9S3	922.4115	NA	PeJP	NA	NA
+PJ082223	GSTMRWW 	C42H58N12O10S	922.412	NA	PeJP	NA	NA
+PJ082224	AQFWWW 	C50H54N10O8	922.4126	NA	PeJP	NA	NA
+PJ082225	GAAFWWW 	C50H54N10O8	922.4127	NA	PeJP	NA	NA
+PJ082226	TTTTLEEE 	C37H62N8O19	922.4132	NA	PeJP	NA	NA
+PJ082227	GTLLEEMM 	C38H66N8O14S2	922.414	NA	PeJP	NA	NA
+PJ082228	GSSTTERW 	C38H58N12O15	922.4145	NA	PeJP	NA	NA
+PJ082229	GPLLMMMM 	C39H70N8O9S4	922.4149	NA	PeJP	NA	NA
+PJ082230	GDKMMRW 	C39H62N12O10S2	922.4154	NA	PeJP	NA	NA
+PJ082231	SSNHHRW 	C39H54N16O11	922.4158	NA	PeJP	NA	NA
+PJ082232	GGLEHHHH 	C39H54N16O11	922.4159	NA	PeJP	NA	NA
+PJ082233	SKMWWW 	C47H58N10O8S	922.416	NA	PeJP	NA	NA
+PJ082234	GSSKEEMR 	C35H62N12O15S	922.4179	NA	PeJP	NA	NA
+PJ082235	SSTKEWW 	C43H58N10O13	922.4185	NA	PeJP	NA	NA
+PJ082236	VQQMMMR 	C36H66N12O10S3	922.4187	NA	PeJP	NA	NA
+PJ082237	GGGALMMMR 	C36H66N12O10S3	922.4188	NA	PeJP	NA	NA
+PJ082238	CNNNFRR 	C36H58N16O11S	922.4192	NA	PeJP	NA	NA
+PJ082239	AAKMMWW 	C44H62N10O8S2	922.4194	NA	PeJP	NA	NA
+PJ082240	AQHHHFF 	C44H54N14O9	922.4199	NA	PeJP	NA	NA
+PJ082241	SDKKEMW 	C40H62N10O13S	922.4219	NA	PeJP	NA	NA
+PJ082242	TKYYYW 	C48H58N8O11	922.4225	NA	PeJP	NA	NA
+PJ082243	SCDMRRR 	C33H62N16O11S2	922.4226	NA	PeJP	NA	NA
+PJ082244	PCKKMMW 	C41H66N10O8S3	922.4228	NA	PeJP	NA	NA
+PJ082245	PPCQHRW 	C41H58N14O9S	922.4232	NA	PeJP	NA	NA
+PJ082246	SSSKKEEE 	C36H62N10O18	922.4244	NA	PeJP	NA	NA
+PJ082247	ATTLQQMM 	C37H66N10O13S2	922.4252	NA	PeJP	NA	NA
+PJ082248	QKKEEMM 	C37H66N10O13S2	922.4253	NA	PeJP	NA	NA
+PJ082249	GNEERRY 	C37H58N14O14	922.4257	NA	PeJP	NA	NA
+PJ082250	GGGGGGDKRY 	C37H58N14O14	922.4258	NA	PeJP	NA	NA
+PJ082251	PVVEMYW 	C45H62N8O11S	922.4259	NA	PeJP	NA	NA
+PJ082252	GSMMRRW 	C38H62N14O9S2	922.4266	NA	PeJP	NA	NA
+PJ082253	AEHHHHR 	C38H54N18O10	922.4271	NA	PeJP	NA	NA
+PJ082254	MHFFRW 	C46H58N12O7S	922.4273	NA	PeJP	NA	NA
+PJ082255	LLQEEEY 	C41H62N8O16	922.4284	NA	PeJP	NA	NA
+PJ082256	GSSTEMRR 	C34H62N14O14S	922.4291	NA	PeJP	NA	NA
+PJ082257	TLLEMMW 	C42H66N8O11S2	922.4293	NA	PeJP	NA	NA
+PJ082258	SSTTRWW 	C42H58N12O12	922.4297	NA	PeJP	NA	NA
+PJ082259	GVNERYW 	C42H58N12O12	922.4298	NA	PeJP	NA	NA
+PJ082260	AQMMMRR 	C35H66N14O9S3	922.43	NA	PeJP	NA	NA
+PJ082261	SCQHHRR 	C35H58N18O10S	922.4304	NA	PeJP	NA	NA
+PJ082262	GGTCHHRR 	C35H58N18O10S	922.4305	NA	PeJP	NA	NA
+PJ082263	GLHHHHW 	C43H54N16O8	922.4311	NA	PeJP	NA	NA
+PJ082264	STTLLEEM 	C38H66N8O16S	922.4318	NA	PeJP	NA	NA
+PJ082265	GVLLEMMM 	C39H70N8O11S3	922.4327	NA	PeJP	NA	NA
+PJ082266	SSKEMRW 	C39H62N12O12S	922.4331	NA	PeJP	NA	NA
+PJ082267	GGGGGGGVKMF 	C39H62N12O12S	922.4332	NA	PeJP	NA	NA
+PJ082268	GSPKYWW 	C47H58N10O10	922.4338	NA	PeJP	NA	NA
+PJ082269	GCKHHRW 	C40H58N16O8S	922.4345	NA	PeJP	NA	NA
+PJ082270	SSSTKEER 	C35H62N12O17	922.4356	NA	PeJP	NA	NA
+PJ082271	TQKEMMR 	C36H66N12O12S2	922.4365	NA	PeJP	NA	NA
+PJ082272	SNNNRRY 	C36H58N16O13	922.437	NA	PeJP	NA	NA
+PJ082273	ATTKMWW 	C44H62N10O10S	922.4371	NA	PeJP	NA	NA
+PJ082274	GAAPKMYW 	C44H62N10O10S	922.4372	NA	PeJP	NA	NA
+PJ082275	SSSSLKEW 	C40H62N10O15	922.4396	NA	PeJP	NA	NA
+PJ082276	VVEEERY 	C40H62N10O15	922.4397	NA	PeJP	NA	NA
+PJ082277	AKKEMMW 	C41H66N10O10S2	922.4405	NA	PeJP	NA	NA
+PJ082278	NERRYW 	C41H58N14O11	922.441	NA	PeJP	NA	NA
+PJ082279	PPVMFFW 	C49H62N8O8S	922.4412	NA	PeJP	NA	NA
+PJ082280	GTTKKEEM 	C37H66N10O15S	922.443	NA	PeJP	NA	NA
+PJ082281	ALLEEYW 	C45H62N8O13	922.4437	NA	PeJP	NA	NA
+PJ082282	LLEMMMR 	C38H70N10O10S3	922.4439	NA	PeJP	NA	NA
+PJ082283	SPNMRRY 	C38H62N14O11S	922.4443	NA	PeJP	NA	NA
+PJ082284	SSTMRRW 	C38H62N14O11S	922.4444	NA	PeJP	NA	NA
+PJ082285	PVLMMFW 	C46H66N8O8S2	922.4445	NA	PeJP	NA	NA
+PJ082286	VNRYWW 	C46H58N12O9	922.445	NA	PeJP	NA	NA
+PJ082287	ASSSSSNKR 	C34H62N14O16	922.4468	NA	PeJP	NA	NA
+PJ082288	SSSTTERR 	C34H62N14O16	922.4469	NA	PeJP	NA	NA
+PJ082289	GPTLLEMY 	C42H66N8O13S	922.447	NA	PeJP	NA	NA
+PJ082290	AALLEEMF 	C42H66N8O13S	922.4471	NA	PeJP	NA	NA
+PJ082291	SDKMMRR 	C35H66N14O11S2	922.4477	NA	PeJP	NA	NA
+PJ082292	VLLMMMW 	C43H70N8O8S3	922.4479	NA	PeJP	NA	NA
+PJ082293	GSSSHHRR 	C35H58N18O12	922.4482	NA	PeJP	NA	NA
+PJ082294	APCKRYW 	C43H62N12O9S	922.4484	NA	PeJP	NA	NA
+PJ082295	AKFWWW 	C51H58N10O7	922.449	NA	PeJP	NA	NA
+PJ082296	SSLLLEMM 	C39H70N8O13S2	922.4504	NA	PeJP	NA	NA
+PJ082297	SSSSTLRW 	C39H62N12O14	922.4509	NA	PeJP	NA	NA
+PJ082298	ATKMMRW 	C40H66N12O9S2	922.4517	NA	PeJP	NA	NA
+PJ082299	VTCKMRW 	C40H66N12O9S2	922.4518	NA	PeJP	NA	NA
+PJ082300	GPDHRRW 	C40H58N16O10	922.4522	NA	PeJP	NA	NA
+PJ082301	ASTTKEMR 	C36H66N12O14S	922.4542	NA	PeJP	NA	NA
+PJ082302	GTTTKEMR 	C36H66N12O14S	922.4543	NA	PeJP	NA	NA
+PJ082303	TTTTKWW 	C44H62N10O12	922.4549	NA	PeJP	NA	NA
+PJ082304	VQKMMMR 	C37H70N12O9S3	922.4551	NA	PeJP	NA	NA
+PJ082305	GCEFRRR 	C37H62N16O10S	922.4556	NA	PeJP	NA	NA
+PJ082306	GRRYWW 	C45H58N14O8	922.4562	NA	PeJP	NA	NA
+MJ097813	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitalopyranoside], 20-O-[2-O-benzoyl-?-D-glucopyranoside] 	C47H70O18	922.456215	NA	MeJP	NA	NA
+PJ082307	PPLHHHW 	C45H58N14O8	922.4563	NA	PeJP	NA	NA
+PJ082308	TTKKEMW 	C41H66N10O12S	922.4583	NA	PeJP	NA	NA
+PJ082309	PPVVYYW 	C49H62N8O10	922.4589	NA	PeJP	NA	NA
+PJ082310	SSMMRRR 	C34H66N16O10S2	922.459	NA	PeJP	NA	NA
+PJ082311	QMFRRW 	C42H62N14O8S	922.4596	NA	PeJP	NA	NA
+PJ082312	STTTKKEE 	C37H66N10O17	922.4608	NA	PeJP	NA	NA
+PJ082313	SPTTKKMM 	C38H70N10O12S2	922.4616	NA	PeJP	NA	NA
+PJ082314	KKKEEMM 	C38H70N10O12S2	922.4617	NA	PeJP	NA	NA
+PJ082315	GDKERRY 	C38H62N14O13	922.4621	NA	PeJP	NA	NA
+PJ082316	GGGGGGGAALLH 	C38H62N14O13	922.4622	NA	PeJP	NA	NA
+PJ082317	PTLLMYW 	C46H66N8O10S	922.4623	NA	PeJP	NA	NA
+PJ082318	VLMMHHR 	C39H66N14O8S2	922.463	NA	PeJP	NA	NA
+PJ082319	GNHHFRR 	C39H58N18O9	922.4635	NA	PeJP	NA	NA
+PJ082320	LLKEEEY 	C42H66N8O15	922.4648	NA	PeJP	NA	NA
+PJ082321	SSSSLMRR 	C35H66N14O13S	922.4655	NA	PeJP	NA	NA
+PJ082322	GPVLLMMY 	C43H70N8O10S2	922.4657	NA	PeJP	NA	NA
+PJ082323	AAKERYW 	C43H62N12O11	922.4661	NA	PeJP	NA	NA
+PJ082324	GGGGAKKYW 	C43H62N12O11	922.4662	NA	PeJP	NA	NA
+PJ082325	AKMMMRR 	C36H70N14O8S3	922.4664	NA	PeJP	NA	NA
+PJ082326	SCKHHRR 	C36H62N18O9S	922.4668	NA	PeJP	NA	NA
+PJ082327	ATLLLMMM 	C40H74N8O10S3	922.469	NA	PeJP	NA	NA
+PJ082328	TTTKMRW 	C40H66N12O11S	922.4695	NA	PeJP	NA	NA
+PJ082329	LQKYWW 	C48H62N10O9	922.4702	NA	PeJP	NA	NA
+PJ082330	CFRRRW 	C41H62N16O7S	922.4709	NA	PeJP	NA	NA
+PJ082331	STTTTKER 	C36H66N12O16	922.472	NA	PeJP	NA	NA
+PJ082332	TKKEMMR 	C37H70N12O11S2	922.4729	NA	PeJP	NA	NA
+PJ082333	PTQEHRR 	C37H62N16O12	922.4733	NA	PeJP	NA	NA
+PJ082334	GSERRRY 	C37H62N16O12	922.4734	NA	PeJP	NA	NA
+PJ082335	APKKMYW 	C45H66N10O9S	922.4735	NA	PeJP	NA	NA
+PJ082336	SSTTTLKW 	C41H66N10O14	922.476	NA	PeJP	NA	NA
+PJ082337	GGPPPLKEE 	C41H66N10O14	922.4761	NA	PeJP	NA	NA
+PJ082338	SLKKMMW 	C42H70N10O9S2	922.4769	NA	PeJP	NA	NA
+MJ097814	1,6,10,14-Phytatetraene-3,17-diol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 17-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C44H74O20	922.477344	NA	MeJP	NA	NA
+PJ082339	DKRRYW 	C42H62N14O10	922.4774	NA	PeJP	NA	NA
+PJ082340	SSTLKKEM 	C38H70N10O14S	922.4794	NA	PeJP	NA	NA
+PJ082341	SLLLEYW 	C46H66N8O12	922.48	NA	PeJP	NA	NA
+MJ097815	Aselacin A; 9''-Ketone, 17''-hydroxy 	C46H66N8O12	922.480019	NA	MeJP	NA	NA
+PJ082342	TLLLDYW 	C46H66N8O12	922.4801	NA	PeJP	NA	NA
+PJ082343	AALKKMMM 	C39H74N10O9S3	922.4803	NA	PeJP	NA	NA
+PJ082344	GLQMRRY 	C39H66N14O10S	922.4807	NA	PeJP	NA	NA
+PJ082345	GGALMRRY 	C39H66N14O10S	922.4808	NA	PeJP	NA	NA
+PJ082346	TKFRWW 	C47H62N12O8	922.4814	NA	PeJP	NA	NA
+PJ082347	STTTTTRR 	C35H66N14O15	922.4832	NA	PeJP	NA	NA
+PJ082348	AALLLEMY 	C43H70N8O12S	922.4834	NA	PeJP	NA	NA
+PJ082349	TTKMMRR 	C36H70N14O10S2	922.4841	NA	PeJP	NA	NA
+PJ082350	SPDHRRR 	C36H62N18O11	922.4846	NA	PeJP	NA	NA
+PJ082351	GVKMFRW 	C44H66N12O8S	922.4848	NA	PeJP	NA	NA
+PJ082352	TTTLLLMM 	C40H74N8O12S2	922.4868	NA	PeJP	NA	NA
+PJ082353	AKKEERY 	C40H66N12O13	922.4873	NA	PeJP	NA	NA
+PJ082354	CCKKKKW 	C41H70N12O8S2	922.4881	NA	PeJP	NA	NA
+PJ082355	SRRRYW 	C41H62N16O9	922.4886	NA	PeJP	NA	NA
+PJ082356	SSTTLKMR 	C37H70N12O13S	922.4906	NA	PeJP	NA	NA
+PJ082357	GLKKEYW 	C45H66N10O11	922.4913	NA	PeJP	NA	NA
+PJ082358	VKKMMMR 	C38H74N12O8S3	922.4915	NA	PeJP	NA	NA
+PJ082359	AAMRRRY 	C38H66N16O9S	922.492	NA	PeJP	NA	NA
+PJ082360	VLLEMRY 	C42H70N10O11S	922.4947	NA	PeJP	NA	NA
+PJ082361	PVVLFYW 	C50H66N8O9	922.4953	NA	PeJP	NA	NA
+PJ082362	GNQHRRR 	C35H62N20O10	922.4958	NA	PeJP	NA	NA
+PJ082363	KMFRRW 	C43H66N14O7S	922.496	NA	PeJP	NA	NA
+PJ082364	SSSSTTLLK 	C38H70N10O16	922.4971	NA	PeJP	NA	NA
+PJ082365	SSSSTTILK 	C38H70N10O16	922.4972	NA	PeJP	NA	NA
+PJ082366	ATTLKKMM 	C39H74N10O11S2	922.498	NA	PeJP	NA	NA
+PJ082367	ATKERRY 	C39H66N14O12	922.4985	NA	PeJP	NA	NA
+PJ082368	VVLLMYW 	C47H70N8O9S	922.4987	NA	PeJP	NA	NA
+PJ082369	ATTLLLEY 	C43H70N8O14	922.5012	NA	PeJP	NA	NA
+PJ082370	SSSCKKKR 	C36H70N14O12S	922.5019	NA	PeJP	NA	NA
+PJ082371	GVLLLMMF 	C44H74N8O9S2	922.5021	NA	PeJP	NA	NA
+PJ082372	GTLKRYW 	C44H66N12O10	922.5025	NA	PeJP	NA	NA
+PJ082373	APMHRRR 	C37H66N18O8S	922.5032	NA	PeJP	NA	NA
+PJ082374	PTKKMRY 	C41H70N12O10S	922.5059	NA	PeJP	NA	NA
+PJ082375	LKKYWW 	C49H66N10O8	922.5065	NA	PeJP	NA	NA
+PJ082376	PPPLKWW 	C49H66N10O8	922.5066	NA	PeJP	NA	NA
+PJ082377	GSSSTTKKK 	C37H70N12O15	922.5084	NA	PeJP	NA	NA
+PJ082378	GTCKKKKM 	C38H74N12O10S2	922.5093	NA	PeJP	NA	NA
+PJ082379	ATTRRRY 	C38H66N16O11	922.5097	NA	PeJP	NA	NA
+PJ082380	GGVLEHRR 	C38H66N16O11	922.5098	NA	PeJP	NA	NA
+PJ082381	ALKKMFW 	C46H70N10O8S	922.5099	NA	PeJP	NA	NA
+PJ082382	VKKKEEY 	C42H70N10O13	922.5124	NA	PeJP	NA	NA
+PJ082383	LLLMMFR 	C43H74N10O8S2	922.5133	NA	PeJP	NA	NA
+MJ097816	Muricatins; 2'-(S-2-Methylbutanoyl) 	C45H78O19	922.51373	NA	MeJP	NA	NA
+MJ097817	Muricatins; 4''-Epimer, 2'-(S-2-methylbutanoyl) 	C45H78O19	922.51373	NA	MeJP	NA	NA
+MJ097818	Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[3-O-Methyl-?-D-xylopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] 	C45H78O19	922.51373	NA	MeJP	NA	NA
+PJ082384	SPLKHRW 	C43H66N14O9	922.5138	NA	PeJP	NA	NA
+PJ082385	TTTTLKKM 	C39H74N10O13S	922.5158	NA	PeJP	NA	NA
+PJ082386	AAPLLLYY 	C47H70N8O11	922.5164	NA	PeJP	NA	NA
+PJ082387	AALLLEFF 	C47H70N8O11	922.5165	NA	PeJP	NA	NA
+PJ082388	GLKMRRY 	C40H70N14O9S	922.5171	NA	PeJP	NA	NA
+PJ082389	GTLLLLMY 	C44H74N8O11S	922.5198	NA	PeJP	NA	NA
+PJ082390	GLEHRRR 	C37H66N18O10	922.521	NA	PeJP	NA	NA
+PJ082391	SLKKERY 	C41H70N12O12	922.5236	NA	PeJP	NA	NA
+PJ082392	TLDKKRY 	C41H70N12O12	922.5237	NA	PeJP	NA	NA
+PJ082393	GVLHRRW 	C42H66N16O8	922.525	NA	PeJP	NA	NA
+PJ082394	SSSKKKKM 	C38H74N12O12S	922.527	NA	PeJP	NA	NA
+MJ097819	Anabaenopeptin H 	C46H70N10O10	922.527638	NA	MeJP	NA	NA
+PJ082395	SVLKKYW 	C46H70N10O10	922.5277	NA	PeJP	NA	NA
+PJ082396	PVKMHRR 	C39H70N16O8S	922.5284	NA	PeJP	NA	NA
+MJ097820	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranosyl] 	C49H78O16	922.528986	NA	MeJP	NA	NA
+MJ097821	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O16	922.528986	NA	MeJP	NA	NA
+PJ082397	LLQKKMY 	C43H74N10O10S	922.531	NA	PeJP	NA	NA
+PJ082398	GALLKKMY 	C43H74N10O10S	922.5311	NA	PeJP	NA	NA
+PJ082399	VVLLFFW 	C51H70N8O8	922.5317	NA	PeJP	NA	NA
+PJ082400	GNKHRRR 	C36H66N20O9	922.5322	NA	PeJP	NA	NA
+PJ082401	STLKRRY 	C40H70N14O11	922.5349	NA	PeJP	NA	NA
+PJ082402	LHRRRW 	C41H66N18O7	922.5362	NA	PeJP	NA	NA
+PJ082403	STTLLLLY 	C44H74N8O13	922.5376	NA	PeJP	NA	NA
+PJ082404	AAPPLLRW 	C45H70N12O9	922.5389	NA	PeJP	NA	NA
+PJ082405	VVKKMRY 	C42H74N12O9S	922.5423	NA	PeJP	NA	NA
+PJ082406	PPLERRR 	C39H70N16O10	922.5461	NA	PeJP	NA	NA
+PJ082407	GTTLLKKY 	C43H74N10O12	922.5488	NA	PeJP	NA	NA
+PJ082408	VVVKHRW 	C44H70N14O8	922.5501	NA	PeJP	NA	NA
+PJ082409	PPVLRRW 	C44H70N14O8	922.5502	NA	PeJP	NA	NA
+PJ082410	AALLLLFY 	C48H74N8O10	922.5528	NA	PeJP	NA	NA
+PJ082411	SVLHRRR 	C38H70N18O9	922.5574	NA	PeJP	NA	NA
+PJ082412	TQKKKKY 	C42H74N12O11	922.56	NA	PeJP	NA	NA
+PJ082413	APPLLKER 	C42H74N12O11	922.5601	NA	PeJP	NA	NA
+PJ082414	GPPLLLKW 	C47H74N10O9	922.5641	NA	PeJP	NA	NA
+PJ082415	LLKKKMY 	C44H78N10O9S	922.5674	NA	PeJP	NA	NA
+PJ082416	APPTLLRR 	C41H74N14O10	922.5713	NA	PeJP	NA	NA
+PJ082417	VLLKKHW 	C46H74N12O8	922.5753	NA	PeJP	NA	NA
+PJ082418	TLLKHRR 	C40H74N16O9	922.5825	NA	PeJP	NA	NA
+PJ082419	TTLLLLLH 	C44H78N10O11	922.5852	NA	PeJP	NA	NA
+PJ082420	AKKKHRR 	C39H74N18O8	922.5937	NA	PeJP	NA	NA
+PJ082421	TKKKKKY 	C43H78N12O10	922.5964	NA	PeJP	NA	NA
+PJ082422	LLKKKFF 	C48H78N10O8	922.6005	NA	PeJP	NA	NA
+PJ082423	GPVLLLRR 	C42H78N14O9	922.6077	NA	PeJP	NA	NA
+PJ082424	PLLLLLLE 	C46H82N8O11	922.6104	NA	PeJP	NA	NA
+PJ082425	PLLLRRR 	C41H78N16O8	922.6189	NA	PeJP	NA	NA
+PJ082426	PVLLLLQK 	C45H82N10O10	922.6216	NA	PeJP	NA	NA
+PJ082427	APLLLLKR 	C44H82N12O9	922.6328	NA	PeJP	NA	NA
+PJ082428	PVLLLLKK 	C46H86N10O9	922.658	NA	PeJP	NA	NA
+PJ082429	LLLLLLLL 	C48H90N8O9	922.6831	NA	PeJP	NA	NA
+HMDB10512	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C61H94O6	922.705017	NA	HMDB2010	NA	NA
+HMDB10514	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C61H94O6	922.705017	NA	HMDB2010	NA	NA
+HMDB10536	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	C61H94O6	922.705017	NA	HMDB2010	NA	NA
+2683	NA	GGTYSCHFGPATWVCKPQGG	922.93	MH2+	Inhouse_peptide	NA	peptide
+3151	erythropoietin receptor agonist peptide	REGCRRGWVGQCKAWFN	922.9669	MH2+	Inhouse_peptide	NA	peptide
+PJ082430	GCCCCCCDD 	C28H45N9O14S6	923.1411	NA	PeJP	NA	NA
+MetaCyc04318	3-oxopimelyl-CoA [3-oxopimeloyl-CoA;3-ketopimeloyl-CoA;3-ketopimelyl-CoA;]	C28H44N7O20P3S1	923.157467	NA	metacyc	NA	NA
+HMDB12158	3-Oxopimelyl-CoA	C28H44N7O20P3S	923.157471	NA	HMDB2010	NA	NA
+C06715	3-Oxopimeloyl-CoA	C28H44N7O20P3S	923.1575	NA	KEGG	NA	NA
+PJ082431	SPCCCCCCC 	C29H49N9O11S7	923.1597	NA	PeJP	NA	NA
+PJ082432	GSCCCCCDM 	C29H49N9O13S6	923.1775	NA	PeJP	NA	NA
+PJ082433	TCCCCCCW 	C33H49N9O10S6	923.1927	NA	PeJP	NA	NA
+PJ082434	SSSCCCCCE 	C29H49N9O15S5	923.1952	NA	PeJP	NA	NA
+PJ082435	CCCCCQMM 	C30H53N9O10S7	923.1961	NA	PeJP	NA	NA
+PJ082436	CCCCCCMR 	C29H53N11O9S7	923.2073	NA	PeJP	NA	NA
+PJ082437	CCCCCNEF 	C33H49N9O12S5	923.2105	NA	PeJP	NA	NA
+PJ082438	GSSCCCCMM 	C30H53N9O12S6	923.2138	NA	PeJP	NA	NA
+PJ082439	CCCNDDDH 	C31H45N11O16S3	923.2208	NA	PeJP	NA	NA
+PJ082440	GCCCCCFW 	C37H49N9O9S5	923.2257	NA	PeJP	NA	NA
+PJ082441	SCCCCNEY 	C33H49N9O14S4	923.2282	NA	PeJP	NA	NA
+PJ082442	SSSTCCCCM 	C30H53N9O14S5	923.2316	NA	PeJP	NA	NA
+PJ082443	CCCCCKMM 	C31H57N9O9S7	923.2325	NA	PeJP	NA	NA
+PJ082444	GSPCCCCDH 	C32H49N11O13S4	923.2395	NA	PeJP	NA	NA
+PJ082445	GSCCCCYW 	C37H49N9O11S4	923.2435	NA	PeJP	NA	NA
+PJ082446	GSSSCCCDY 	C33H49N9O16S3	923.246	NA	PeJP	NA	NA
+PJ082447	GCCCNMMY 	C34H53N9O11S5	923.2468	NA	PeJP	NA	NA
+PJ082448	GGGCCCMMY 	C34H53N9O11S5	923.2469	NA	PeJP	NA	NA
+PJ082449	CCCCNNQH 	C31H49N13O12S4	923.2507	NA	PeJP	NA	NA
+PJ082450	CNNNDDDD 	C31H45N11O20S	923.2563	NA	PeJP	NA	NA
+PJ082451	GGCNNDDDD 	C31H45N11O20S	923.2564	NA	PeJP	NA	NA
+PJ082452	SCCNDDMH 	C32H49N11O15S3	923.2572	NA	PeJP	NA	NA
+PJ082453	ACCCCCRY 	C33H53N11O10S5	923.2581	NA	PeJP	NA	NA
+PJ082454	GCCCNDFY 	C37H49N9O13S3	923.2612	NA	PeJP	NA	NA
+PJ082455	SNDDDDDE 	C32H45N9O23	923.2629	NA	PeJP	NA	NA
+PJ082456	PCNDDDDM 	C33H49N9O18S2	923.2637	NA	PeJP	NA	NA
+PJ082457	GGPCDDDDM 	C33H49N9O18S2	923.2638	NA	PeJP	NA	NA
+PJ082458	SSCCCQMY 	C34H53N9O13S4	923.2646	NA	PeJP	NA	NA
+PJ082459	CCDEEYY 	C38H49N7O16S2	923.2677	NA	PeJP	NA	NA
+PJ082460	CDDDMYY 	C38H49N7O16S2	923.2678	NA	PeJP	NA	NA
+PJ082461	GSSCCCNNH 	C31H49N13O14S3	923.2684	NA	PeJP	NA	NA
+PJ082462	GGGSSCCCNH 	C31H49N13O14S3	923.2685	NA	PeJP	NA	NA
+PJ082463	PCCCCCHR 	C32H53N13O9S5	923.2693	NA	PeJP	NA	NA
+PJ082464	CDMMMMY 	C36H57N7O11S5	923.272	NA	PeJP	NA	NA
+PJ082465	GSCCCEHW 	C36H49N11O12S3	923.2725	NA	PeJP	NA	NA
+PJ082466	GSSSCCDEH 	C32H49N11O17S2	923.275	NA	PeJP	NA	NA
+PJ082467	SSCCCCRY 	C33H53N11O12S4	923.2758	NA	PeJP	NA	NA
+PJ082468	GGGCCEMMH 	C33H53N11O12S4	923.2759	NA	PeJP	NA	NA
+PJ082469	GSDDDDDW 	C36H45N9O20	923.2781	NA	PeJP	NA	NA
+PJ082470	GPCCDDEW 	C37H49N9O15S2	923.279	NA	PeJP	NA	NA
+PJ082471	GCCCNMFF 	C38H53N9O10S4	923.2799	NA	PeJP	NA	NA
+PJ082472	GNDDDEEM 	C33H49N9O20S	923.2815	NA	PeJP	NA	NA
+PJ082473	GSSSSCCMY 	C34H53N9O15S3	923.2824	NA	PeJP	NA	NA
+PJ082474	ACCCCKMY 	C35H57N9O10S5	923.2832	NA	PeJP	NA	NA
+PJ082475	CCNNNNNE 	C31H49N13O16S2	923.2862	NA	PeJP	NA	NA
+PJ082476	CDDMMFY 	C39H53N7O13S3	923.2864	NA	PeJP	NA	NA
+PJ082477	GCCCDMHR 	C32H53N13O11S4	923.2871	NA	PeJP	NA	NA
+PJ082478	SCCCHWW 	C40H49N11O9S3	923.2877	NA	PeJP	NA	NA
+MJ097822	Cochinmicin I; 2-Epimer, 5''-chloro 	C46H46ClN7O12	923.289297	NA	MeJP	NA	NA
+MJ097823	Cochinmicin I; 5''-Chloro 	C46H46ClN7O12	923.289297	NA	MeJP	NA	NA
+PJ082479	SSSCCDHW 	C36H49N11O14S2	923.2902	NA	PeJP	NA	NA
+PJ082480	CMMMMMF 	C37H61N7O8S6	923.2906	NA	PeJP	NA	NA
+PJ082481	CCNMMHW 	C37H53N11O9S4	923.2911	NA	PeJP	NA	NA
+PJ082482	GCDDDDER 	C32H49N11O19S	923.2927	NA	PeJP	NA	NA
+PJ082483	GGGGGGSDDDM 	C32H49N11O19S	923.2928	NA	PeJP	NA	NA
+PJ082484	SSCNDMMH 	C33H53N11O14S3	923.2936	NA	PeJP	NA	NA
+PJ082485	PCCDDWW 	C41H49N9O12S2	923.2943	NA	PeJP	NA	NA
+PJ082486	PCCCCKMH 	C34H57N11O9S5	923.2945	NA	PeJP	NA	NA
+PJ082487	GCCCQHHH 	C34H49N15O10S3	923.2949	NA	PeJP	NA	NA
+PJ082488	GGACCCHHH 	C34H49N15O10S3	923.295	NA	PeJP	NA	NA
+PJ082489	CNDEEEW 	C37H49N9O17S	923.2967	NA	PeJP	NA	NA
+PJ082490	NDDDEMW 	C37H49N9O17S	923.2968	NA	PeJP	NA	NA
+MetaCyc04319	factor F430 seco-precursor []	C42H53N6O14NI1	923.297323	NA	metacyc	NA	NA
+MetaCyc04320	tetrahydrocorphinate []	C42H53N6O14NI1	923.297323	NA	metacyc	NA	NA
+PJ082491	SPPCCCEW 	C38H53N9O12S3	923.2976	NA	PeJP	NA	NA
+PJ082492	STDDDDQE 	C33H49N9O22	923.2992	NA	PeJP	NA	NA
+PJ082493	SSNDDEEE 	C33H49N9O22	923.2993	NA	PeJP	NA	NA
+PJ082494	SSSSSTCCY 	C34H53N9O17S2	923.3001	NA	PeJP	NA	NA
+PJ082495	GNDDDDHH 	C34H45N13O18	923.3006	NA	PeJP	NA	NA
+PJ082496	CDDDFFY 	C42H49N7O15S	923.3008	NA	PeJP	NA	NA
+PJ082497	SSCCCKMY 	C35H57N9O12S4	923.301	NA	PeJP	NA	NA
+PJ082498	GCCNNNNW 	C35H49N13O13S2	923.3015	NA	PeJP	NA	NA
+PJ082499	GSSCNNNND 	C31H49N13O18S	923.304	NA	PeJP	NA	NA
+PJ082500	SDDMMYY 	C39H53N7O15S2	923.3041	NA	PeJP	NA	NA
+PJ082501	SSCCCEHR 	C32H53N13O13S3	923.3048	NA	PeJP	NA	NA
+PJ082502	GGGGPCCCDR 	C32H53N13O13S3	923.3049	NA	PeJP	NA	NA
+PJ082503	CDMMMFF 	C40H57N7O10S4	923.305	NA	PeJP	NA	NA
+PJ082504	CCNDHFW 	C40H49N11O11S2	923.3055	NA	PeJP	NA	NA
+PJ082505	EEEEEEM 	C35H53N7O20S	923.3066	NA	PeJP	NA	NA
+PJ082506	CDDDDRW 	C36H49N11O16S	923.308	NA	PeJP	NA	NA
+PJ082507	SMMMMMY 	C37H61N7O10S5	923.3084	NA	PeJP	NA	NA
+PJ082508	CCCNRYY 	C37H53N11O11S3	923.3088	NA	PeJP	NA	NA
+PJ082509	GSTCCMHW 	C37H53N11O11S3	923.3089	NA	PeJP	NA	NA
+PJ082510	SSDDDDDR 	C32H49N11O21	923.3105	NA	PeJP	NA	NA
+PJ082511	ASSSTCCEH 	C33H53N11O16S2	923.3113	NA	PeJP	NA	NA
+PJ082512	SPCCDDER 	C33H53N11O16S2	923.3114	NA	PeJP	NA	NA
+PJ082513	GDDDMWW 	C41H49N9O14S	923.312	NA	PeJP	NA	NA
+PJ082514	PPCCCDMR 	C34H57N11O11S4	923.3122	NA	PeJP	NA	NA
+PJ082515	SSCCNHHH 	C34H49N15O12S2	923.3127	NA	PeJP	NA	NA
+PJ082516	GSSDDEEW 	C37H49N9O19	923.3145	NA	PeJP	NA	NA
+PJ082517	GSPCDEMW 	C38H53N9O14S2	923.3154	NA	PeJP	NA	NA
+PJ082518	GPPCCMMW 	C39H57N9O9S4	923.3163	NA	PeJP	NA	NA
+PJ082519	GSNEEEEM 	C34H53N9O19S	923.3179	NA	PeJP	NA	NA
+PJ082520	GDDEYYY 	C42H49N7O17	923.3185	NA	PeJP	NA	NA
+PJ082521	SSPPVCCCE 	C35H57N9O14S3	923.3187	NA	PeJP	NA	NA
+PJ082522	GPNDEMMM 	C35H57N9O14S3	923.3188	NA	PeJP	NA	NA
+PJ082523	SPCNDDHH 	C35H49N13O15S	923.3192	NA	PeJP	NA	NA
+PJ082524	PCCEFYY 	C43H53N7O12S2	923.3194	NA	PeJP	NA	NA
+PJ082525	CEMMHHH 	C36H53N13O10S3	923.3201	NA	PeJP	NA	NA
+PJ082526	GCNNDDMR 	C32H53N13O15S2	923.3226	NA	PeJP	NA	NA
+PJ082527	GEMMMYY 	C40H57N7O12S3	923.3228	NA	PeJP	NA	NA
+PJ082528	SCNNDWW 	C40H49N11O13S	923.3232	NA	PeJP	NA	NA
+PJ082529	GGGGSCDWW 	C40H49N11O13S	923.3233	NA	PeJP	NA	NA
+PJ082530	GSCCMMHR 	C33H57N13O10S4	923.3235	NA	PeJP	NA	NA
+PJ082531	CCMHHFF 	C41H53N11O8S3	923.3241	NA	PeJP	NA	NA
+PJ082532	SSSNNDDW 	C36H49N11O18	923.3257	NA	PeJP	NA	NA
+PJ082533	GGGGSSSDDW 	C36H49N11O18	923.3258	NA	PeJP	NA	NA
+PJ082534	SSSSCMHW 	C37H53N11O13S2	923.3266	NA	PeJP	NA	NA
+PJ082535	CDEWWW 	C45H49N9O11S	923.3273	NA	PeJP	NA	NA
+PJ082536	GSDDDEMR 	C33H53N11O18S	923.3291	NA	PeJP	NA	NA
+PJ082537	SSDDEWW 	C41H49N9O16	923.3298	NA	PeJP	NA	NA
+PJ082538	GPCDDMMR 	C34H57N11O13S3	923.33	NA	PeJP	NA	NA
+PJ082539	GCNNNEHH 	C34H49N15O14S	923.3305	NA	PeJP	NA	NA
+PJ082540	SPCDMWW 	C42H53N9O11S2	923.3306	NA	PeJP	NA	NA
+PJ082541	GCCCKHHH 	C35H53N15O9S3	923.3313	NA	PeJP	NA	NA
+PJ082542	SNEEEMW 	C38H53N9O16S	923.3331	NA	PeJP	NA	NA
+PJ082543	GGGPDDEMF 	C38H53N9O16S	923.3332	NA	PeJP	NA	NA
+PJ082544	DDYYYW 	C46H49N7O14	923.3338	NA	PeJP	NA	NA
+PJ082545	GGGGGGGGSCCR 	C31H53N15O14S2	923.3339	NA	PeJP	NA	NA
+PJ082546	PNDMMMW 	C39H57N9O11S3	923.334	NA	PeJP	NA	NA
+PJ082547	CDEHHHF 	C39H49N13O12S	923.3345	NA	PeJP	NA	NA
+PJ082548	SSSQEEEE 	C34H53N9O21	923.3356	NA	PeJP	NA	NA
+PJ082549	QQEEEMM 	C35H57N9O16S2	923.3365	NA	PeJP	NA	NA
+PJ082550	GNNNNNDY 	C35H49N13O17	923.337	NA	PeJP	NA	NA
+PJ082551	SPCEYYY 	C43H53N7O14S	923.3371	NA	PeJP	NA	NA
+PJ082552	GDEMFYY 	C43H53N7O14S	923.3372	NA	PeJP	NA	NA
+PJ082553	SPPCQMMM 	C36H61N9O11S4	923.3374	NA	PeJP	NA	NA
+PJ082554	CCNNERW 	C36H53N13O12S2	923.3378	NA	PeJP	NA	NA
+PJ082555	GGCCNERW 	C36H53N13O12S2	923.3379	NA	PeJP	NA	NA
+PJ082556	MMMYYW 	C44H57N7O9S3	923.338	NA	PeJP	NA	NA
+PJ082557	PEEEEEY 	C39H53N7O19	923.3397	NA	PeJP	NA	NA
+PJ082558	SSCNNDER 	C32H53N13O17S	923.3403	NA	PeJP	NA	NA
+PJ082559	GGSSCNDER 	C32H53N13O17S	923.3404	NA	PeJP	NA	NA
+PJ082560	STEMMYY 	C40H57N7O14S2	923.3405	NA	PeJP	NA	NA
+PJ082561	NNNDDFW 	C40H49N11O15	923.341	NA	PeJP	NA	NA
+PJ082562	SSTCCMHR 	C33H57N13O12S3	923.3412	NA	PeJP	NA	NA
+PJ082563	AMMMMFY 	C41H61N7O9S4	923.3414	NA	PeJP	NA	NA
+PJ082564	GCNQMWW 	C41H53N11O10S2	923.3419	NA	PeJP	NA	NA
+PJ082565	SDDDMRW 	C37H53N11O15S	923.3444	NA	PeJP	NA	NA
+PJ082566	PCCEMRW 	C38H57N11O10S3	923.3452	NA	PeJP	NA	NA
+PJ082567	GGAPCCCKW 	C38H57N11O10S3	923.3453	NA	PeJP	NA	NA
+PJ082568	CNNNHHW 	C38H49N15O11S	923.3457	NA	PeJP	NA	NA
+PJ082569	SSSDDEER 	C33H53N11O20	923.3469	NA	PeJP	NA	NA
+PJ082570	NDEEMMR 	C34H57N11O15S2	923.3477	NA	PeJP	NA	NA
+PJ082571	GGDEEMMR 	C34H57N11O15S2	923.3478	NA	PeJP	NA	NA
+PJ082572	SSNNNDHH 	C34H49N15O16	923.3482	NA	PeJP	NA	NA
+PJ082573	GSEEMWW 	C42H53N9O13S	923.3484	NA	PeJP	NA	NA
+PJ082574	SPPCCMMR 	C35H61N11O10S4	923.3486	NA	PeJP	NA	NA
+PJ082575	GPCCDHHR 	C35H53N15O11S2	923.3491	NA	PeJP	NA	NA
+PJ082576	APCMMWW 	C43H57N9O8S3	923.3493	NA	PeJP	NA	NA
+MJ097824	Pepticinnamin; Pepticinnamin C 	C49H54ClN5O11	923.350835	NA	MeJP	NA	NA
+PJ082577	GSSTEEEW 	C38H53N9O18	923.3509	NA	PeJP	NA	NA
+PJ082578	AQEEMMW 	C39H57N9O13S2	923.3518	NA	PeJP	NA	NA
+PJ082579	SNDEHHW 	C39H49N13O14	923.3522	NA	PeJP	NA	NA
+PJ082580	DMFYYW 	C47H53N7O11S	923.3524	NA	PeJP	NA	NA
+PJ082581	PMMMMHF 	C40H61N9O8S4	923.3526	NA	PeJP	NA	NA
+PJ082582	GCCNRWW 	C40H53N13O9S2	923.3531	NA	PeJP	NA	NA
+PJ082583	GSDKEEEM 	C35H57N9O18S	923.3543	NA	PeJP	NA	NA
+PJ082584	GTEEYYY 	C43H53N7O16	923.3549	NA	PeJP	NA	NA
+PJ082585	GPTQEMMM 	C36H61N9O13S3	923.3551	NA	PeJP	NA	NA
+PJ082586	GSSCNDRW 	C36H53N13O14S	923.3556	NA	PeJP	NA	NA
+PJ082587	GPMMYYY 	C44H57N7O11S2	923.3558	NA	PeJP	NA	NA
+PJ082588	LMMMMMH 	C37H65N9O8S5	923.356	NA	PeJP	NA	NA
+PJ082589	CCQMHFR 	C37H57N13O9S3	923.3565	NA	PeJP	NA	NA
+PJ082590	GSSSSNDDR 	C32H53N13O19	923.3581	NA	PeJP	NA	NA
+PJ082591	CDDEMRR 	C33H57N13O14S2	923.359	NA	PeJP	NA	NA
+PJ082592	SVMMMYY 	C41H61N7O11S3	923.3591	NA	PeJP	NA	NA
+PJ082593	SSNNMWW 	C41H53N11O12S	923.3596	NA	PeJP	NA	NA
+PJ082594	SSSSNQEW 	C37H53N11O17	923.3621	NA	PeJP	NA	NA
+PJ082595	GGGGGGAAEEY 	C37H53N11O17	923.3622	NA	PeJP	NA	NA
+PJ082596	GDEMMRW 	C38H57N11O12S2	923.363	NA	PeJP	NA	NA
+PJ082597	SEMWWW 	C46H53N9O10S	923.3636	NA	PeJP	NA	NA
+PJ082598	GPCEFWW 	C46H53N9O10S	923.3637	NA	PeJP	NA	NA
+PJ082599	GSSEEEMR 	C34H57N11O17S	923.3655	NA	PeJP	NA	NA
+PJ082600	SSTEEWW 	C42H53N9O15	923.3661	NA	PeJP	NA	NA
+PJ082601	GGSPEEYW 	C42H53N9O15	923.3662	NA	PeJP	NA	NA
+PJ082602	GSPDMMMR 	C35H61N11O12S3	923.3664	NA	PeJP	NA	NA
+PJ082603	NDDMHHR 	C35H53N15O13S	923.3668	NA	PeJP	NA	NA
+PJ082604	GGDDMHHR 	C35H53N15O13S	923.3669	NA	PeJP	NA	NA
+PJ082605	AAEMMWW 	C43H57N9O10S2	923.367	NA	PeJP	NA	NA
+PJ082606	GSDHHWW 	C43H49N13O11	923.3675	NA	PeJP	NA	NA
+PJ082607	CCCHFRR 	C36H57N15O8S3	923.3677	NA	PeJP	NA	NA
+PJ082608	SDKEEMW 	C39H57N9O15S	923.3695	NA	PeJP	NA	NA
+PJ082609	TEYYYW 	C47H53N7O13	923.3702	NA	PeJP	NA	NA
+PJ082610	PTQMMMW 	C40H61N9O10S3	923.3704	NA	PeJP	NA	NA
+PJ082611	GQEMHHW 	C40H53N13O11S	923.3709	NA	PeJP	NA	NA
+PJ082612	MMFFYW 	C48H57N7O8S2	923.371	NA	PeJP	NA	NA
+PJ082613	SSSKEEEE 	C35H57N9O20	923.372	NA	PeJP	NA	NA
+PJ082614	QKEEEMM 	C36H61N9O15S2	923.3729	NA	PeJP	NA	NA
+PJ082615	GSNNNQQY 	C36H53N13O16	923.3733	NA	PeJP	NA	NA
+PJ082616	NNNDERY 	C36H53N13O16	923.3734	NA	PeJP	NA	NA
+PJ082617	GVEMYYY 	C44H57N7O13S	923.3735	NA	PeJP	NA	NA
+PJ082618	GPVQMMMM 	C37H65N9O10S4	923.3738	NA	PeJP	NA	NA
+PJ082619	SCNQMRW 	C37H57N13O11S2	923.3742	NA	PeJP	NA	NA
+PJ082620	GGGGAPCCFR 	C37H57N13O11S2	923.3743	NA	PeJP	NA	NA
+PJ082621	AMMMFFF 	C45H61N7O8S3	923.3744	NA	PeJP	NA	NA
+PJ082622	NNEHHHH 	C37H49N17O12	923.3747	NA	PeJP	NA	NA
+PJ082623	GCQHFFW 	C45H53N11O9S	923.3749	NA	PeJP	NA	NA
+PJ082624	LEEEEEF 	C40H57N7O18	923.376	NA	PeJP	NA	NA
+PJ082625	SSSNNEMR 	C33H57N13O16S	923.3767	NA	PeJP	NA	NA
+PJ082626	GGGGGGGSSTCK 	C33H57N13O16S	923.3768	NA	PeJP	NA	NA
+PJ082627	GSSSSQWW 	C41H53N11O14	923.3774	NA	PeJP	NA	NA
+PJ082628	NNQMMMR 	C34H61N13O11S3	923.3776	NA	PeJP	NA	NA
+PJ082629	GSCNNHHR 	C34H53N17O12S	923.3781	NA	PeJP	NA	NA
+PJ082630	ACCQKWW 	C42H57N11O9S2	923.3782	NA	PeJP	NA	NA
+PJ082631	DMMRWW 	C42H57N11O9S2	923.3783	NA	PeJP	NA	NA
+PJ082632	PCFWWW 	C50H53N9O7S	923.3789	NA	PeJP	NA	NA
+PJ082633	GSSTQQMW 	C38H57N11O14S	923.3807	NA	PeJP	NA	NA
+PJ082634	SSEEMRW 	C38H57N11O14S	923.3808	NA	PeJP	NA	NA
+PJ082635	GSPEYWW 	C46H53N9O12	923.3814	NA	PeJP	NA	NA
+PJ082636	PTCMMRW 	C39H61N11O9S3	923.3816	NA	PeJP	NA	NA
+PJ082637	GCEHHRW 	C39H53N15O10S	923.3821	NA	PeJP	NA	NA
+PJ082638	CLMWWW 	C47H57N9O7S2	923.3823	NA	PeJP	NA	NA
+PJ082639	SSSTEEER 	C34H57N11O19	923.3832	NA	PeJP	NA	NA
+PJ082640	TTTTDDDR 	C34H57N11O19	923.3833	NA	PeJP	NA	NA
+PJ082641	TQEEMMR 	C35H61N11O14S2	923.3841	NA	PeJP	NA	NA
+PJ082642	GSSDEHHR 	C35H53N15O15	923.3846	NA	PeJP	NA	NA
+PJ082643	ATTEMWW 	C43H57N9O12S	923.3848	NA	PeJP	NA	NA
+PJ082644	PQMMMMR 	C36H65N11O9S4	923.385	NA	PeJP	NA	NA
+PJ082645	DFFFYW 	C51H53N7O10	923.3854	NA	PeJP	NA	NA
+PJ082646	SCCNRRW 	C36H57N15O10S2	923.3855	NA	PeJP	NA	NA
+PJ082647	QMHHWW 	C44H53N13O8S	923.3861	NA	PeJP	NA	NA
+PJ082648	SSSSLEEW 	C39H57N9O17	923.3873	NA	PeJP	NA	NA
+8295	Fatty acid synthase inhibitor	RKQEEDEDEEQQRE	923.3879	MH2+	Inhouse_peptide	NA	peptide
+PJ082649	SSSCNDRR 	C32H57N15O15S	923.388	NA	PeJP	NA	NA
+PJ082650	AKEEMMW 	C40H61N9O12S2	923.3881	NA	PeJP	NA	NA
+PJ082651	GGTLEMMW 	C40H61N9O12S2	923.3882	NA	PeJP	NA	NA
+PJ082652	GNNDRYW 	C40H53N13O13	923.3886	NA	PeJP	NA	NA
+PJ082653	VMYYYW 	C48H57N7O10S	923.3888	NA	PeJP	NA	NA
+PJ082654	GGGGCMMRR 	C33H61N15O10S3	923.3889	NA	PeJP	NA	NA
+PJ082655	CLMHHHF 	C41H57N13O8S2	923.3895	NA	PeJP	NA	NA
+PJ082656	GNHHHHW 	C41H49N17O9	923.39	NA	PeJP	NA	NA
+PJ082657	SSTLQEEM 	C36H61N9O17S	923.3906	NA	PeJP	NA	NA
+PJ082658	GTTKEEEM 	C36H61N9O17S	923.3907	NA	PeJP	NA	NA
+PJ082659	SSLEYYY 	C44H57N7O15	923.3913	NA	PeJP	NA	NA
+PJ082660	GPTKEMMM 	C37H65N9O12S3	923.3915	NA	PeJP	NA	NA
+PJ082661	GSSSNMRW 	C37H57N13O13S	923.392	NA	PeJP	NA	NA
+PJ082662	GLMMFYY 	C45H61N7O10S2	923.3922	NA	PeJP	NA	NA
+PJ082663	NQQYWW 	C45H53N11O11	923.3926	NA	PeJP	NA	NA
+PJ082664	GGGGAAYWW 	C45H53N11O11	923.3927	NA	PeJP	NA	NA
+PJ082665	CCKMHFR 	C38H61N13O8S3	923.3929	NA	PeJP	NA	NA
+PJ082666	GSSSSSQER 	C33H57N13O18	923.3945	NA	PeJP	NA	NA
+PJ082667	ASTNNMMR 	C34H61N13O13S2	923.3953	NA	PeJP	NA	NA
+PJ082668	SDEMMRR 	C34H61N13O13S2	923.3954	NA	PeJP	NA	NA
+PJ082669	SSCQKWW 	C42H57N11O11S	923.396	NA	PeJP	NA	NA
+PJ082670	PCMMMRR 	C35H65N13O8S4	923.3962	NA	PeJP	NA	NA
+PJ082671	SPYWWW 	C50H53N9O9	923.3967	NA	PeJP	NA	NA
+PJ082672	CHHRWW 	C43H53N15O7S	923.3974	NA	PeJP	NA	NA
+PJ082673	SSSSNKEW 	C38H57N11O16	923.3985	NA	PeJP	NA	NA
+PJ082674	ATEMMRW 	C39H61N11O11S2	923.3994	NA	PeJP	NA	NA
+PJ082675	SSDHHRW 	C39H53N15O12	923.3998	NA	PeJP	NA	NA
+PJ082676	GGNQQHHF 	C39H53N15O12	923.3999	NA	PeJP	NA	NA
+PJ082677	AAPMYWW 	C47H57N9O9S	923.4	NA	PeJP	NA	NA
+PJ082678	CCCQRRR 	C32H61N17O9S3	923.4001	NA	PeJP	NA	NA
+PJ082679	GTTTEEMR 	C35H61N11O16S	923.4019	NA	PeJP	NA	NA
+PJ082680	TTTTEWW 	C43H57N9O14	923.4025	NA	PeJP	NA	NA
+PJ082681	ASPTMMMR 	C36H65N11O11S3	923.4027	NA	PeJP	NA	NA
+PJ082682	VQEMMMR 	C36H65N11O11S3	923.4028	NA	PeJP	NA	NA
+PJ082683	CNNDFRR 	C36H57N15O12S	923.4032	NA	PeJP	NA	NA
+PJ082684	GTLMMWW 	C44H61N9O9S2	923.4034	NA	PeJP	NA	NA
+PJ082685	GTTHHWW 	C44H53N13O10	923.4039	NA	PeJP	NA	NA
+PJ082686	MFFFFW 	C52H57N7O7S	923.4041	NA	PeJP	NA	NA
+PJ082687	TTKEEMW 	C40H61N9O14S	923.4059	NA	PeJP	NA	NA
+PJ082688	GPVYYYY 	C48H57N7O12	923.4065	NA	PeJP	NA	NA
+PJ082689	GVEFFYY 	C48H57N7O12	923.4066	NA	PeJP	NA	NA
+PJ082690	PTKMMMW 	C41H65N9O9S3	923.4068	NA	PeJP	NA	NA
+PJ082691	GNNMFRW 	C41H57N13O10S	923.4072	NA	PeJP	NA	NA
+PJ082692	GGGNMFRW 	C41H57N13O10S	923.4073	NA	PeJP	NA	NA
+PJ082693	STTTKEEE 	C36H61N9O19	923.4084	NA	PeJP	NA	NA
+PJ082694	KKEEEMM 	C37H65N9O14S2	923.4093	NA	PeJP	NA	NA
+PJ082695	SSSSSQRW 	C37H57N13O15	923.4097	NA	PeJP	NA	NA
+PJ082696	GDEERRY 	C37H57N13O15	923.4098	NA	PeJP	NA	NA
+PJ082697	ATLMYYY 	C45H61N7O12S	923.4099	NA	PeJP	NA	NA
+PJ082698	GPVKMMMM 	C38H69N9O9S4	923.4102	NA	PeJP	NA	NA
+PJ082699	SCNKMRW 	C38H61N13O10S2	923.4106	NA	PeJP	NA	NA
+PJ082700	NDKHHHH 	C38H53N17O11	923.4111	NA	PeJP	NA	NA
+PJ082701	APPMHWW 	C46H57N11O8S	923.4113	NA	PeJP	NA	NA
+PJ082702	LLEEEEY 	C41H61N7O17	923.4124	NA	PeJP	NA	NA
+PJ082703	SSSNDKMR 	C34H61N13O15S	923.4131	NA	PeJP	NA	NA
+PJ082704	GSSSSKWW 	C42H57N11O13	923.4138	NA	PeJP	NA	NA
+PJ082705	AEMMMRR 	C35H65N13O10S3	923.414	NA	PeJP	NA	NA
+PJ082706	SCEHHRR 	C35H57N17O11S	923.4145	NA	PeJP	NA	NA
+PJ082707	ACCKKWW 	C43H61N11O8S2	923.4146	NA	PeJP	NA	NA
+PJ082708	PPNHHHW 	C43H53N15O9	923.4151	NA	PeJP	NA	NA
+PJ082709	TTTEMRW 	C39H61N11O13S	923.4171	NA	PeJP	NA	NA
+PJ082710	GGGGGPTKMY 	C39H61N11O13S	923.4172	NA	PeJP	NA	NA
+PJ082711	LQEYWW 	C47H57N9O11	923.4178	NA	PeJP	NA	NA
+PJ082712	GLMMMRW 	C40H65N11O8S3	923.418	NA	PeJP	NA	NA
+PJ082713	GTMHHRW 	C40H57N15O9S	923.4185	NA	PeJP	NA	NA
+PJ082714	STTTTEER 	C35H61N11O18	923.4196	NA	PeJP	NA	NA
+PJ082715	TKEEMMR 	C36H65N11O13S2	923.4205	NA	PeJP	NA	NA
+PJ082716	SNNDRRY 	C36H57N15O14	923.421	NA	PeJP	NA	NA
+PJ082717	STTLMWW 	C44H61N9O11S	923.4211	NA	PeJP	NA	NA
+PJ082718	APKEMYW 	C44H61N9O11S	923.4212	NA	PeJP	NA	NA
+PJ082719	PKMMMMR 	C37H69N11O8S4	923.4214	NA	PeJP	NA	NA
+PJ082720	VFFYYW 	C52H57N7O9	923.4218	NA	PeJP	NA	NA
+PJ082721	VNMMHHR 	C37H61N15O9S2	923.4219	NA	PeJP	NA	NA
+PJ082722	SNHHHHR 	C37H53N19O10	923.4223	NA	PeJP	NA	NA
+PJ082723	KMHHWW 	C45H57N13O7S	923.4225	NA	PeJP	NA	NA
+PJ082724	SSPTLQEY 	C40H61N9O16	923.4236	NA	PeJP	NA	NA
+PJ082725	SSTTTLEW 	C40H61N9O16	923.4237	NA	PeJP	NA	NA
+PJ082726	SSSSNMRR 	C33H61N15O14S	923.4243	NA	PeJP	NA	NA
+PJ082727	GGSSSSMRR 	C33H61N15O14S	923.4244	NA	PeJP	NA	NA
+PJ082728	SLKEMMW 	C41H65N9O11S2	923.4245	NA	PeJP	NA	NA
+PJ082729	DERRYW 	C41H57N13O12	923.425	NA	PeJP	NA	NA
+PJ082730	GLMFFFY 	C49H61N7O9S	923.4252	NA	PeJP	NA	NA
+3723	NA	WWPKHNG	923.4259	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ082731	SSTLKEEM 	C37H65N9O16S	923.427	NA	PeJP	NA	NA
+PJ082732	TTTLYYY 	C45H61N7O14	923.4277	NA	PeJP	NA	NA
+PJ082733	AALKEMMM 	C38H69N9O11S3	923.4279	NA	PeJP	NA	NA
+PJ082734	GSSTCKRW 	C38H61N13O12S	923.4284	NA	PeJP	NA	NA
+PJ082735	VDRYWW 	C46H57N11O10	923.429	NA	PeJP	NA	NA
+PJ082736	GSSSSSKER 	C34H61N13O17	923.4309	NA	PeJP	NA	NA
+PJ082737	TTEMMRR 	C35H65N13O12S2	923.4317	NA	PeJP	NA	NA
+PJ082738	GGGSTKMMR 	C35H65N13O12S2	923.4318	NA	PeJP	NA	NA
+PJ082739	NNQQQHR 	C35H57N17O13	923.4322	NA	PeJP	NA	NA
+PJ082740	GGGGGGGGGVHR 	C35H57N17O13	923.4323	NA	PeJP	NA	NA
+PJ082741	SSCKKWW 	C43H61N11O10S	923.4324	NA	PeJP	NA	NA
+PJ082742	ALYWWW 	C51H57N9O8	923.433	NA	PeJP	NA	NA
+PJ082743	GMMHHRR 	C36H61N17O8S2	923.4331	NA	PeJP	NA	NA
+PJ082744	SSSSDKKW 	C39H61N11O15	923.4349	NA	PeJP	NA	NA
+PJ082745	STLMMRW 	C40H65N11O10S2	923.4358	NA	PeJP	NA	NA
+PJ082746	STTHHRW 	C40H57N15O11	923.4362	NA	PeJP	NA	NA
+PJ082747	GGGGPTHRW 	C40H57N15O11	923.4363	NA	PeJP	NA	NA
+PJ082748	AALMFWW 	C48H61N9O8S	923.4364	NA	PeJP	NA	NA
+PJ082749	CCCKRRR 	C33H65N17O8S3	923.4365	NA	PeJP	NA	NA
+PJ082750	SSTTLEMR 	C36H65N11O15S	923.4383	NA	PeJP	NA	NA
+PJ082751	GLKEEYW 	C44H61N9O13	923.4389	NA	PeJP	NA	NA
+PJ082752	VKEMMMR 	C37H69N11O10S3	923.4391	NA	PeJP	NA	NA
+PJ082753	GGAAKKMMM 	C37H69N11O10S3	923.4392	NA	PeJP	NA	NA
+PJ082754	GNQMRRY 	C37H61N15O11S	923.4396	NA	PeJP	NA	NA
+PJ082755	PCLKMFW 	C45H65N9O8S2	923.4398	NA	PeJP	NA	NA
+PJ082756	GPNKHWW 	C45H57N13O9	923.4403	NA	PeJP	NA	NA
+PJ082757	GSSSSSTRR 	C33H61N15O16	923.4421	NA	PeJP	NA	NA
+PJ082758	SSSTLLMW 	C41H65N9O13S	923.4423	NA	PeJP	NA	NA
+PJ082759	GVLFYYY 	C49H61N7O11	923.4429	NA	PeJP	NA	NA
+PJ082760	GSSCKMRR 	C34H65N15O11S2	923.443	NA	PeJP	NA	NA
+PJ082761	VVKMMMW 	C42H69N9O8S3	923.4432	NA	PeJP	NA	NA
+PJ082762	NNNNHRR 	C34H57N19O12	923.4434	NA	PeJP	NA	NA
+PJ082763	GGNNNHRR 	C34H57N19O12	923.4435	NA	PeJP	NA	NA
+PJ082764	EMFRRW 	C42H61N13O9S	923.4436	NA	PeJP	NA	NA
+PJ082765	PLHWWW 	C50H57N11O7	923.4443	NA	PeJP	NA	NA
+PJ082766	SSSSTTLLE 	C37H65N9O18	923.4448	NA	PeJP	NA	NA
+PJ082767	STTILQMM 	C38H69N9O13S2	923.4456	NA	PeJP	NA	NA
+PJ082768	ATTLKEMM 	C38H69N9O13S2	923.4457	NA	PeJP	NA	NA
+PJ082769	SSSSSKRW 	C38H61N13O14	923.4461	NA	PeJP	NA	NA
+PJ082770	GGGGGGGSKKY 	C38H61N13O14	923.4462	NA	PeJP	NA	NA
+PJ082771	TCCKKRW 	C39H65N13O9S2	923.447	NA	PeJP	NA	NA
+PJ082772	GDHHFRR 	C39H57N17O10	923.4475	NA	PeJP	NA	NA
+PJ082773	VMFRWW 	C47H61N11O7S	923.4477	NA	PeJP	NA	NA
+PJ082774	SSSTQKMR 	C35H65N13O14S	923.4495	NA	PeJP	NA	NA
+PJ082775	ASLERYW 	C43H61N11O12	923.4501	NA	PeJP	NA	NA
+PJ082776	GTLERYW 	C43H61N11O12	923.4502	NA	PeJP	NA	NA
+PJ082777	SLMMMRR 	C36H69N13O9S3	923.4504	NA	PeJP	NA	NA
+PJ082778	GCNRRRY 	C36H61N17O10S	923.4508	NA	PeJP	NA	NA
+PJ082779	GGGCRRRY 	C36H61N17O10S	923.4509	NA	PeJP	NA	NA
+PJ082780	AAHHFRW 	C44H57N15O8	923.4515	NA	PeJP	NA	NA
+MJ097825	Albopeptin B 	C40H65N11O12S	923.453487	NA	MeJP	NA	NA
+PJ082781	GSSTKKMW 	C40H65N11O12S	923.4535	NA	PeJP	NA	NA
+PJ082782	GGGGAAPPPLM 	C40H65N11O12S	923.4536	NA	PeJP	NA	NA
+PJ082783	LKEYWW 	C48H61N9O10	923.4542	NA	PeJP	NA	NA
+PJ082784	PCKHHFR 	C41H61N15O8S	923.4549	NA	PeJP	NA	NA
+PJ082785	GSSSTTKKE 	C36H65N11O17	923.456	NA	PeJP	NA	NA
+PJ082786	SSSLLMMR 	C37H69N11O12S2	923.4569	NA	PeJP	NA	NA
+PJ082787	SSQQRRY 	C37H61N15O13	923.4574	NA	PeJP	NA	NA
+PJ082788	SPLKMYW 	C45H65N9O10S	923.4575	NA	PeJP	NA	NA
+PJ082789	GAALLMYW 	C45H65N9O10S	923.4576	NA	PeJP	NA	NA
+PJ082790	PPMMHRR 	C38H65N15O8S2	923.4582	NA	PeJP	NA	NA
+PJ082791	TTTTTTLW 	C41H65N9O15	923.46	NA	PeJP	NA	NA
+PJ082792	VKKEEEY 	C41H65N9O15	923.4601	NA	PeJP	NA	NA
+PJ082793	SSSTCKRR 	C34H65N15O13S	923.4607	NA	PeJP	NA	NA
+PJ082794	AAPLKMMY 	C42H69N9O10S2	923.4609	NA	PeJP	NA	NA
+PJ082795	GSQKRYW 	C42H61N13O11	923.4614	NA	PeJP	NA	NA
+PJ082796	CCKKMRR 	C35H69N15O8S3	923.4616	NA	PeJP	NA	NA
+PJ082797	TTTTLKEM 	C38H69N9O15S	923.4634	NA	PeJP	NA	NA
+PJ082798	GTLLKMMM 	C39H73N9O10S3	923.4643	NA	PeJP	NA	NA
+PJ082799	AQQKMRY 	C39H65N13O11S	923.4647	NA	PeJP	NA	NA
+PJ082800	GLEMRRY 	C39H65N13O11S	923.4648	NA	PeJP	NA	NA
+PJ082801	TLRYWW 	C47H61N11O9	923.4654	NA	PeJP	NA	NA
+MJ097826	Ganefromycin ?1; 13-Me ether, 23-O-phenylacetyl, 32-O-(2,6-dideoxy-?-L-galactopyranoside) 	C50H69NO15	923.46672	NA	MeJP	NA	NA
+MJ097827	Ganefromycin ?1; 13-Me ether, 24-O-phenylacetyl, 32-O-(2,6-dideoxy-?-L-galactopyranoside) 	C50H69NO15	923.46672	NA	MeJP	NA	NA
+PJ082802	SSSSSSVKR 	C35H65N13O16	923.4672	NA	PeJP	NA	NA
+PJ082803	GSSSTTTKR 	C35H65N13O16	923.4673	NA	PeJP	NA	NA
+PJ082804	GSSKKMMR 	C36H69N13O11S2	923.4681	NA	PeJP	NA	NA
+PJ082805	AQQEHRR 	C36H61N17O12	923.4686	NA	PeJP	NA	NA
+PJ082806	GVLMRYW 	C44H65N11O9S	923.4688	NA	PeJP	NA	NA
+PJ082807	SSSTTKKW 	C40H65N11O14	923.4713	NA	PeJP	NA	NA
+PJ082808	VLQMMFR 	C41H69N11O9S2	923.4721	NA	PeJP	NA	NA
+PJ082809	TCKKKMW 	C41H69N11O9S2	923.4722	NA	PeJP	NA	NA
+PJ082810	SPNKHRW 	C41H61N15O10	923.4726	NA	PeJP	NA	NA
+PJ082811	TTTTTLMR 	C37H69N11O14S	923.4746	NA	PeJP	NA	NA
+PJ082812	GSSSSLKKM 	C37H69N11O14S	923.4747	NA	PeJP	NA	NA
+PJ082813	SVLKEYW 	C45H65N9O12	923.4753	NA	PeJP	NA	NA
+PJ082814	QKKKMMM 	C38H73N11O9S3	923.4755	NA	PeJP	NA	NA
+PJ082815	GNKMRRY 	C38H65N15O10S	923.476	NA	PeJP	NA	NA
+PJ082816	PFRRYW 	C46H61N13O8	923.4766	NA	PeJP	NA	NA
+PJ082817	GLKHHFW 	C46H61N13O8	923.4767	NA	PeJP	NA	NA
+PJ082818	LLQKEMY 	C42H69N9O12S	923.4787	NA	PeJP	NA	NA
+PJ082819	GNEHRRR 	C35H61N19O11	923.4798	NA	PeJP	NA	NA
+PJ082820	GGGEHRRR 	C35H61N19O11	923.4799	NA	PeJP	NA	NA
+PJ082821	LMRRYW 	C43H65N13O8S	923.48	NA	PeJP	NA	NA
+PJ082822	SSTTTTTLL 	C38H69N9O17	923.4812	NA	PeJP	NA	NA
+PJ082823	STTLLKMM 	C39H73N9O12S2	923.482	NA	PeJP	NA	NA
+PJ082824	STLERRY 	C39H65N13O13	923.4825	NA	PeJP	NA	NA
+PJ082825	GGGGGGGAPPLK 	C39H65N13O13	923.4826	NA	PeJP	NA	NA
+PJ082826	ALMMFRR 	C40H69N13O8S2	923.4834	NA	PeJP	NA	NA
+PJ082827	AAQHRRW 	C40H61N17O9	923.4839	NA	PeJP	NA	NA
+PJ082828	SSSTKKMR 	C36H69N13O13S	923.4859	NA	PeJP	NA	NA
+PJ082829	SSLLRYW 	C44H65N11O11	923.4865	NA	PeJP	NA	NA
+MJ097828	Aedes aegypti Allatostatins; Allatostatin 1 	C44H65N11O11	923.486501	NA	MeJP	NA	NA
+PJ082830	GGLLLEHW 	C44H65N11O11	923.4866	NA	PeJP	NA	NA
+PJ082831	CKKKMMR 	C37H73N13O8S3	923.4868	NA	PeJP	NA	NA
+PJ082832	PCQKHRR 	C37H65N17O9S	923.4872	NA	PeJP	NA	NA
+MJ097829	Amphotericin B 	C47H73NO17	923.487849	NA	MeJP	NA	NA
+C06573	Amphotericin B	C47H73NO17	923.4879	NA	KEGG	NA	NA
+PJ082833	VVKEMRY 	C41H69N11O11S	923.4899	NA	PeJP	NA	NA
+PJ082834	APLKFYW 	C49H65N9O9	923.4906	NA	PeJP	NA	NA
+PJ082835	SSSSSTLKK 	C37H69N11O16	923.4924	NA	PeJP	NA	NA
+PJ082836	GTTKKKMM 	C38H73N11O11S2	923.4933	NA	PeJP	NA	NA
+PJ082837	SSQKRRY 	C38H65N15O12	923.4937	NA	PeJP	NA	NA
+PJ082838	GGSTKRRY 	C38H65N15O12	923.4938	NA	PeJP	NA	NA
+PJ082839	ALLKMYW 	C46H69N9O9S	923.4939	NA	PeJP	NA	NA
+PJ082840	NHRRRW 	C39H61N19O8	923.4951	NA	PeJP	NA	NA
+PJ082841	GTTLLKEY 	C42H69N9O14	923.4964	NA	PeJP	NA	NA
+PJ082842	AAPPVVLEE 	C42H69N9O14	923.4965	NA	PeJP	NA	NA
+PJ082843	AALLKMMF 	C43H73N9O9S2	923.4973	NA	PeJP	NA	NA
+PJ082844	GSKKRYW 	C43H65N13O10	923.4978	NA	PeJP	NA	NA
+MJ097830	Cyanoginosin; Cyanoginosin LAba 	C47H69N7O12	923.50042	NA	MeJP	NA	NA
+PJ082845	SVLMRRY 	C40H69N13O10S	923.5011	NA	PeJP	NA	NA
+PJ082846	GAAKKMRY 	C40H69N13O10S	923.5012	NA	PeJP	NA	NA
+PJ082847	GLLLHWW 	C48H65N11O8	923.5018	NA	PeJP	NA	NA
+PJ082848	PPNERRR 	C37H65N17O11	923.505	NA	PeJP	NA	NA
+8284	antioxidative peptide	HVRETALV	923.505	NA  ;SYN:(S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoate; (S)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid; 2-amino-5-guanidinovalerate; 2-amino-5-guanidinovaleric acid; 5-[(aminoiminomethyl)amino]-L-Norvaline; Arginine; L-(+)-Arginine; L-a-Amino-d-guanidinovalerate; L-a-Amino-d-guanidinovaleric acid; N5-(aminoiminomethyl)-L-Ornithine; L-alpha-Amino-delta-guanidinovalerate; L-alpha-Amino-delta-guanidinovaleric acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-Pentanoic acid; (S)-2-amino-5-[(aminoiminomethyl)amino]-PentanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ082849	GKKKMFW 	C45H69N11O8S	923.5052	NA	PeJP	NA	NA
+PJ082850	GTTTLLRY 	C41H69N11O13	923.5077	NA	PeJP	NA	NA
+PJ082851	VLKMMFR 	C42H73N11O8S2	923.5085	NA	PeJP	NA	NA
+PJ082852	PPVNRRW 	C42H65N15O9	923.509	NA	PeJP	NA	NA
+PJ082853	STTTKKKM 	C38H73N11O13S	923.511	NA	PeJP	NA	NA
+PJ082854	TTLLKYW 	C46H69N9O11	923.5117	NA	PeJP	NA	NA
+PJ082855	KKKKMMM 	C39H77N11O8S3	923.5119	NA	PeJP	NA	NA
+PJ082856	ACKKRRY 	C39H69N15O9S	923.5124	NA	PeJP	NA	NA
+PJ082857	LFFRRW 	C47H65N13O7	923.513	NA	PeJP	NA	NA
+PJ082858	LLKKEMY 	C43H73N9O11S	923.5151	NA	PeJP	NA	NA
+PJ082859	GDKHRRR 	C36H65N19O10	923.5162	NA	PeJP	NA	NA
+PJ082860	SDKKKRY 	C40H69N13O12	923.5189	NA	PeJP	NA	NA
+PJ082861	GPPRRRW 	C41H65N17O8	923.5203	NA	PeJP	NA	NA
+PJ082862	ATKKKYW 	C45H69N11O10	923.5229	NA	PeJP	NA	NA
+PJ082863	PCKKHRR 	C38H69N17O8S	923.5236	NA	PeJP	NA	NA
+PJ082864	TLLKMRY 	C42H73N11O10S	923.5263	NA	PeJP	NA	NA
+PJ082865	ALLKFFW 	C50H69N9O8	923.5269	NA	PeJP	NA	NA
+PJ082866	PPLLLWW 	C50H69N9O8	923.527	NA	PeJP	NA	NA
+PJ082867	GSHRRRR 	C35H65N21O9	923.5275	NA	PeJP	NA	NA
+PJ082868	SSKKRRY 	C39H69N15O11	923.5301	NA	PeJP	NA	NA
+PJ082869	AAPPKERR 	C39H69N15O11	923.5302	NA	PeJP	NA	NA
+PJ082870	SSTLLLKY 	C43H73N9O13	923.5328	NA	PeJP	NA	NA
+PJ082871	SLLLHRW 	C44H69N13O9	923.5342	NA	PeJP	NA	NA
+PJ082872	AKKKMRY 	C41H73N13O9S	923.5375	NA	PeJP	NA	NA
+PJ082873	PPDKRRR 	C38H69N17O10	923.5414	NA	PeJP	NA	NA
+PJ082874	TKKKKEY 	C42H73N11O12	923.544	NA	PeJP	NA	NA
+PJ082875	GSTLKKKY 	C42H73N11O12	923.5441	NA	PeJP	NA	NA
+PJ082876	GLKKHRW 	C43H69N15O8	923.5454	NA	PeJP	NA	NA
+PJ082877	SPPVLLLW 	C47H73N9O10	923.5481	NA	PeJP	NA	NA
+PJ082878	VLLMHRR 	C40H73N15O8S	923.5488	NA	PeJP	NA	NA
+PJ082879	PPLLLLQM 	C44H77N9O10S	923.5515	NA	PeJP	NA	NA
+PJ082880	SPPRRRR 	C37H69N19O9	923.5526	NA	PeJP	NA	NA
+PJ082881	TTKKKRY 	C41H73N13O11	923.5553	NA	PeJP	NA	NA
+PJ082882	GPPVLKKW 	C46H73N11O9	923.5593	NA	PeJP	NA	NA
+PJ082883	VKKKKMY 	C43H77N11O9S	923.5627	NA	PeJP	NA	NA
+PJ082884	GPPTLKRR 	C40H73N15O10	923.5665	NA	PeJP	NA	NA
+PJ082885	PVLLLLQE 	C44H77N9O12	923.5692	NA	PeJP	NA	NA
+PJ082886	AKKKFFR 	C45H73N13O8	923.5705	NA	PeJP	NA	NA
+PJ082887	PPLKKRW 	C45H73N13O8	923.5706	NA	PeJP	NA	NA
+PJ082888	PVLQRRR 	C39H73N17O9	923.5778	NA	PeJP	NA	NA
+PJ082889	APLLLLER 	C43H77N11O11	923.5804	NA	PeJP	NA	NA
+PJ082890	PVVVLLER 	C43H77N11O11	923.5805	NA	PeJP	NA	NA
+PJ082891	GPLLLLLW 	C48H77N9O9	923.5845	NA	PeJP	NA	NA
+PJ082892	PPLLLLKM 	C45H81N9O9S	923.5878	NA	PeJP	NA	NA
+PJ082893	APLRRRR 	C38H73N19O8	923.589	NA	PeJP	NA	NA
+PJ082894	SPPVLKKR 	C42H77N13O10	923.5917	NA	PeJP	NA	NA
+PJ082895	VKKKKFF 	C47H77N11O8	923.5957	NA	PeJP	NA	NA
+PJ082896	AAPLLKRR 	C41H77N15O9	923.6029	NA	PeJP	NA	NA
+PJ082897	PVLLLLKE 	C45H81N9O11	923.6056	NA	PeJP	NA	NA
+PJ082898	PVLKRRR 	C40H77N17O8	923.6142	NA	PeJP	NA	NA
+PJ082899	SPLLLLLR 	C44H81N11O10	923.6168	NA	PeJP	NA	NA
+PJ082900	GPLLLKKR 	C43H81N13O9	923.6281	NA	PeJP	NA	NA
+PJ082901	KKKKKKH 	C42H81N15O8	923.6393	NA	PeJP	NA	NA
+PJ082902	VLLLLLLQ 	C46H85N9O10	923.642	NA	PeJP	NA	NA
+PJ082903	ALLLLLLR 	C45H85N11O9	923.6532	NA	PeJP	NA	NA
+PJ082904	VLLLLLLK 	C47H89N9O9	923.6784	NA	PeJP	NA	NA
+HMDB08618	PC(22:2(13Z,16Z)/24:1(15Z))	C54H102NO8P	923.734314	NA	HMDB2010	NA	NA
+HMDB08810	PC(24:1(15Z)/22:2(13Z,16Z))	C54H102NO8P	923.734314	NA	HMDB2010	NA	NA
+3050	kinases inhibitor	YCQRTLREIQILLRF	924.0295	MH2+	Inhouse_peptide	NA	peptide
+MJ097831	Euphormisin M2 	C40H28O26	924.086881	NA	MeJP	NA	NA
+MJ097832	proto-Quercitol, Pentakis-O-(3,4,5-trihydroxybenzoyl) 	C41H32O25	924.123266	NA	MeJP	NA	NA
+MJ097833	scyllo-Quercitol; Pentakis-O-(3,4,5-trihydroxybenzoyl) 	C41H32O25	924.123266	NA	MeJP	NA	NA
+PJ082905	GCCCCCCCQ 	C28H48N10O11S7	924.1549	NA	PeJP	NA	NA
+PJ082906	GGACCCCCCC 	C28H48N10O11S7	924.155	NA	PeJP	NA	NA
+C15489	S-2-(Indol-3-yl)acetyl-CoA	C31H43N8O17P3S	924.168	NA	KEGG	NA	NA
+PJ082907	SSCCCCCCN 	C28H48N10O13S6	924.1727	NA	PeJP	NA	NA
+PJ082908	CCCCCEMM 	C30H52N8O11S7	924.1801	NA	PeJP	NA	NA
+PJ082909	GCCCCCCCK 	C29H52N10O10S7	924.1913	NA	PeJP	NA	NA
+PJ082910	CCCCCDEF 	C33H48N8O13S5	924.1945	NA	PeJP	NA	NA
+PJ082911	CCCDDDDH 	C31H44N10O17S3	924.2049	NA	PeJP	NA	NA
+PJ082912	CCCCCNNY 	C32H48N10O12S5	924.2057	NA	PeJP	NA	NA
+PJ082913	SCCCCDEY 	C33H48N8O15S4	924.2122	NA	PeJP	NA	NA
+PJ082914	PCCCCCMY 	C34H52N8O10S6	924.2131	NA	PeJP	NA	NA
+PJ082915	TCCCCMMM 	C31H56N8O10S7	924.2165	NA	PeJP	NA	NA
+PJ082916	GCCCDMMY 	C34H52N8O12S5	924.2309	NA	PeJP	NA	NA
+PJ082917	CCCCNNEH 	C31H48N12O13S4	924.2347	NA	PeJP	NA	NA
+PJ082918	CNNDDDDD 	C31H44N10O21S	924.2404	NA	PeJP	NA	NA
+PJ082919	SCCDDDMH 	C32H48N10O16S3	924.2412	NA	PeJP	NA	NA
+PJ082920	PCCCCEMH 	C33H52N10O11S5	924.2421	NA	PeJP	NA	NA
+PJ082921	GCCCDDFY 	C37H48N8O14S3	924.2453	NA	PeJP	NA	NA
+PJ082922	PCCCCCFF 	C38H52N8O9S5	924.2461	NA	PeJP	NA	NA
+PJ082923	SDDDDDDE 	C32H44N8O24	924.2469	NA	PeJP	NA	NA
+PJ082924	PCDDDDDM 	C33H48N8O19S2	924.2478	NA	PeJP	NA	NA
+PJ082925	SSCCCEMY 	C34H52N8O14S4	924.2486	NA	PeJP	NA	NA
+PJ082926	GCCCMMMF 	C35H56N8O9S6	924.2495	NA	PeJP	NA	NA
+PJ082927	GCCCCNHW 	C35H48N12O10S4	924.25	NA	PeJP	NA	NA
+PJ082928	GSSCCCNDH 	C31H48N12O15S3	924.2525	NA	PeJP	NA	NA
+PJ082929	GSPCCNDDD 	C32H48N10O18S2	924.259	NA	PeJP	NA	NA
+PJ082930	GCCDEMMH 	C33H52N10O13S4	924.2599	NA	PeJP	NA	NA
+PJ082931	GSCCDDYY 	C37H48N8O16S2	924.263	NA	PeJP	NA	NA
+PJ082932	APCCCCYY 	C38H52N8O11S4	924.2639	NA	PeJP	NA	NA
+PJ082933	GDDDDEEM 	C33H48N8O21S	924.2655	NA	PeJP	NA	NA
+PJ082934	GSCCMMMY 	C35H56N8O11S5	924.2672	NA	PeJP	NA	NA
+MJ097834	Sucrose; 1'-O-(4-Hydroxy-E-cinnamoyl), 3',6'-bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,6-di-Ac 	C45H48O21	924.268808	NA	MeJP	NA	NA
+PJ082935	CCNNNNDE 	C31H48N12O17S2	924.2702	NA	PeJP	NA	NA
+PJ082936	GGGGGGGGCCDE 	C31H48N12O17S2	924.2703	NA	PeJP	NA	NA
+PJ082937	SCCCNQMH 	C32H52N12O12S4	924.2711	NA	PeJP	NA	NA
+PJ082938	GCCDDEHF 	C36H48N10O15S2	924.2743	NA	PeJP	NA	NA
+PJ082939	CCDMMHW 	C37H52N10O10S4	924.2751	NA	PeJP	NA	NA
+PJ082940	SNNDDDDM 	C32H48N10O20S	924.2767	NA	PeJP	NA	NA
+PJ082941	GGSNDDDDM 	C32H48N10O20S	924.2768	NA	PeJP	NA	NA
+PJ082942	SSCDDMMH 	C33H52N10O15S3	924.2776	NA	PeJP	NA	NA
+MJ097835	Kobophenol A 	C56H44O13	924.278191	NA	MeJP	NA	NA
+PJ082943	PTCCCMMH 	C34H56N10O10S5	924.2785	NA	PeJP	NA	NA
+PJ082944	GCCCEHHH 	C34H48N14O11S3	924.279	NA	PeJP	NA	NA
+PJ082945	DDDDEMW 	C37H48N8O18S	924.2808	NA	PeJP	NA	NA
+PJ082946	CCNEMYY 	C38H52N8O13S3	924.2816	NA	PeJP	NA	NA
+PJ082947	SCCCCNHR 	C31H52N14O11S4	924.2823	NA	PeJP	NA	NA
+PJ082948	SSDDDEEE 	C33H48N8O23	924.2833	NA	PeJP	NA	NA
+PJ082949	SPDDDDMM 	C34H52N8O18S2	924.2841	NA	PeJP	NA	NA
+PJ082950	GDDDDDHH 	C34H44N12O19	924.2846	NA	PeJP	NA	NA
+PJ082951	SSTCCMMY 	C35H56N8O13S4	924.285	NA	PeJP	NA	NA
+MJ097836	Rubroside G; 2'-O-[5-Deoxy-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] 	C43H54Cl2N2O16	924.285039	NA	MeJP	NA	NA
+PJ082952	GCCNNNDW 	C35H48N12O14S2	924.2855	NA	PeJP	NA	NA
+PJ082953	GSSCNNNDD 	C31H48N12O19S	924.288	NA	PeJP	NA	NA
+PJ082954	GSSSCCNMH 	C32H52N12O14S3	924.2888	NA	PeJP	NA	NA
+PJ082955	PCCCNDDR 	C32H52N12O14S3	924.2889	NA	PeJP	NA	NA
+PJ082956	CCDDHFW 	C40H48N10O12S2	924.2895	NA	PeJP	NA	NA
+PJ082957	GSCNDDEW 	C36H48N10O17S	924.292	NA	PeJP	NA	NA
+PJ082958	GPCCNDMW 	C37H52N10O12S3	924.2929	NA	PeJP	NA	NA
+PJ082959	CCCHHHW 	C38H48N14O8S3	924.2942	NA	PeJP	NA	NA
+PJ082960	GSSSNDDDE 	C32H48N10O22	924.2945	NA	PeJP	NA	NA
+PJ082961	GNNDDEMM 	C33H52N10O17S2	924.2954	NA	PeJP	NA	NA
+PJ082962	GSCEMMMH 	C34H56N10O12S4	924.2962	NA	PeJP	NA	NA
+PJ082963	GGGPPTCCCM 	C34H56N10O12S4	924.2963	NA	PeJP	NA	NA
+PJ082964	SSCCDHHH 	C34H48N14O13S2	924.2967	NA	PeJP	NA	NA
+PJ082965	GCCMYYW 	C42H52N8O10S3	924.2969	NA	PeJP	NA	NA
+PJ082966	GPDDDDEY 	C37H48N8O20	924.2985	NA	PeJP	NA	NA
+PJ082967	GSSCDMYY 	C38H52N8O15S2	924.2994	NA	PeJP	NA	NA
+PJ082968	CCQMMFY 	C39H56N8O10S4	924.3003	NA	PeJP	NA	NA
+PJ082969	GSDEEEEM 	C34H52N8O20S	924.3019	NA	PeJP	NA	NA
+PJ082970	GPDDEMMM 	C35H56N8O15S3	924.3028	NA	PeJP	NA	NA
+PJ082971	SPCDDDHH 	C35H48N12O16S	924.3032	NA	PeJP	NA	NA
+PJ082972	GCCNNMHF 	C36H52N12O11S3	924.3041	NA	PeJP	NA	NA
+PJ082973	GCNDDDMR 	C32H52N12O16S2	924.3066	NA	PeJP	NA	NA
+HMDB06692	Disialyllactose	C34H56N2O27	924.307068	NA	HMDB2010	NA	NA
+HMDB06692	Disialyllactose	C34H56N2O27	924.30707	http://www.hmdb.ca/metabolites/HMDB06692	HMDB	NA	NA
+HMDB06692	Disialyllactose	C34H56N2O27	924.30707	HMDB06692	PFEM_hmdb_metabocards_official	NA	NA
+PJ082974	SCNDDWW 	C40H48N10O14S	924.3072	NA	PeJP	NA	NA
+PJ082975	GGSCDDWW 	C40H48N10O14S	924.3073	NA	PeJP	NA	NA
+PJ082976	GSPPCCCCR 	C33H56N12O11S4	924.3075	NA	PeJP	NA	NA
+PJ082977	PCCCQWW 	C41H52N10O9S3	924.3081	NA	PeJP	NA	NA
+PJ082978	SSSNDDDW 	C36H48N10O19	924.3098	NA	PeJP	NA	NA
+PJ082979	NNDDMMW 	C37H52N10O14S2	924.3106	NA	PeJP	NA	NA
+PJ082980	SCMMMHW 	C38H56N10O9S4	924.3115	NA	PeJP	NA	NA
+PJ082981	SSNNDEEM 	C33H52N10O19S	924.3131	NA	PeJP	NA	NA
+PJ082982	PDDDDYW 	C41H48N8O17	924.3138	NA	PeJP	NA	NA
+PJ082983	SSSDMMMH 	C34H56N10O14S3	924.314	NA	PeJP	NA	NA
+PJ082984	GCNNDEHH 	C34H48N14O15S	924.3145	NA	PeJP	NA	NA
+PJ082985	STCCYYW 	C42H52N8O12S2	924.3146	NA	PeJP	NA	NA
+PJ082986	GGCCEFFY 	C42H52N8O12S2	924.3147	NA	PeJP	NA	NA
+PJ082987	NMMMMMH 	C35H60N10O9S5	924.3149	NA	PeJP	NA	NA
+PJ082988	GTCCMHHH 	C35H52N14O10S3	924.3153	NA	PeJP	NA	NA
+PJ082989	SDEEEMW 	C38H52N8O17S	924.3171	NA	PeJP	NA	NA
+PJ082990	TDDEEMW 	C38H52N8O17S	924.3172	NA	PeJP	NA	NA
+PJ082991	SCCNNNDR 	C31H52N14O15S2	924.3178	NA	PeJP	NA	NA
+PJ082992	GGGGSCCNDR 	C31H52N14O15S2	924.3179	NA	PeJP	NA	NA
+PJ082993	PDDMMMW 	C39H56N8O12S3	924.318	NA	PeJP	NA	NA
+PJ082994	SSSEEEEE 	C34H52N8O22	924.3197	NA	PeJP	NA	NA
+PJ082995	QEEEEMM 	C35H56N8O17S2	924.3205	NA	PeJP	NA	NA
+PJ082996	GNNNNDDY 	C35H48N12O18	924.321	NA	PeJP	NA	NA
+PJ082997	SPPCEMMM 	C36H60N8O12S4	924.3214	NA	PeJP	NA	NA
+PJ082998	CCNDERW 	C36H52N12O13S2	924.3219	NA	PeJP	NA	NA
+PJ082999	ASSSCNNNE 	C32H52N12O18S	924.3243	NA	PeJP	NA	NA
+PJ083000	SSCNDDER 	C32H52N12O18S	924.3244	NA	PeJP	NA	NA
+PJ083001	NNDDDFW 	C40H48N10O16	924.325	NA	PeJP	NA	NA
+PJ083002	SPCCNDMR 	C33H56N12O13S3	924.3252	NA	PeJP	NA	NA
+PJ083003	GGGGGGGGGMMM 	C33H56N12O13S3	924.3253	NA	PeJP	NA	NA
+PJ083004	GCNEMWW 	C41H52N10O11S2	924.3259	NA	PeJP	NA	NA
+PJ083005	GSSNDEMW 	C37H52N10O16S	924.3284	NA	PeJP	NA	NA
+PJ083006	SCCMRYY 	C38H56N10O11S3	924.3292	NA	PeJP	NA	NA
+PJ083007	GSPCNMMW 	C38H56N10O11S3	924.3293	NA	PeJP	NA	NA
+PJ083008	CNNDHHW 	C38H48N14O12S	924.3297	NA	PeJP	NA	NA
+PJ083009	GCCFFYW 	C46H52N8O9S2	924.3299	NA	PeJP	NA	NA
+PJ083010	GSSSSNEEE 	C33H52N10O21	924.3309	NA	PeJP	NA	NA
+PJ083011	VTCCDQQE 	C34H56N10O16S2	924.3317	NA	PeJP	NA	NA
+PJ083012	DDEEMMR 	C34H56N10O16S2	924.3318	NA	PeJP	NA	NA
+PJ083013	SSNNDDHH 	C34H48N14O17	924.3322	NA	PeJP	NA	NA
+PJ083014	PDDDMFW 	C42H52N8O14S	924.3324	NA	PeJP	NA	NA
+PJ083015	GSTMMMMH 	C35H60N10O11S4	924.3326	NA	PeJP	NA	NA
+PJ083016	SSSCMHHH 	C35H52N14O12S2	924.3331	NA	PeJP	NA	NA
+PJ083017	CCQMFFF 	C43H56N8O9S3	924.3333	NA	PeJP	NA	NA
+PJ083018	GSPDEEEY 	C38H52N8O19	924.3349	NA	PeJP	NA	NA
+PJ083019	AEEEMMW 	C39H56N8O14S2	924.3358	NA	PeJP	NA	NA
+PJ083020	SDDEHHW 	C39H48N12O15	924.3362	NA	PeJP	NA	NA
+PJ083021	TDDDHHW 	C39H48N12O15	924.3363	NA	PeJP	NA	NA
+PJ083022	GCCNNQMR 	C32H56N14O12S3	924.3365	NA	PeJP	NA	NA
+PJ083023	CCKMMFY 	C40H60N8O9S4	924.3366	NA	PeJP	NA	NA
+PJ083024	PPPCCMMF 	C40H60N8O9S4	924.3367	NA	PeJP	NA	NA
+PJ083025	GCCDRWW 	C40H52N12O10S2	924.3371	NA	PeJP	NA	NA
+PJ083026	GTTEEEEM 	C35H56N8O19S	924.3383	NA	PeJP	NA	NA
+PJ083027	ASPEEMMM 	C36H60N8O14S3	924.3391	NA	PeJP	NA	NA
+PJ083028	GPTEEMMM 	C36H60N8O14S3	924.3392	NA	PeJP	NA	NA
+PJ083029	GSSCDDRW 	C36H52N12O15S	924.3396	NA	PeJP	NA	NA
+PJ083030	GGGGGGGGGDMF 	C36H52N12O15S	924.3397	NA	PeJP	NA	NA
+PJ083031	GPPMMMMM 	C37H64N8O9S5	924.34	NA	PeJP	NA	NA
+PJ083032	GPTCCCRW 	C37H56N12O10S3	924.3405	NA	PeJP	NA	NA
+PJ083033	CNMWWW 	C45H52N10O8S2	924.3411	NA	PeJP	NA	NA
+PJ083034	GSSSSDDDR 	C32H52N12O20	924.3421	NA	PeJP	NA	NA
+PJ083035	GSNDDMMR 	C33H56N12O15S2	924.343	NA	PeJP	NA	NA
+PJ083036	SSNDMWW 	C41H52N10O13S	924.3436	NA	PeJP	NA	NA
+PJ083037	GGGGPCEYW 	C41H52N10O13S	924.3437	NA	PeJP	NA	NA
+PJ083038	GPCCQMMR 	C34H60N12O10S4	924.3439	NA	PeJP	NA	NA
+PJ083039	PCCCKWW 	C42H56N10O8S3	924.3445	NA	PeJP	NA	NA
+PJ083040	SSSSNEEW 	C37H52N10O18	924.3461	NA	PeJP	NA	NA
+PJ083041	GGGGQEEEY 	C37H52N10O18	924.3462	NA	PeJP	NA	NA
+PJ083042	SNQEMMW 	C38H56N10O13S2	924.347	NA	PeJP	NA	NA
+PJ083043	CQYYYW 	C46H52N8O11S	924.3476	NA	PeJP	NA	NA
+PJ083044	GACYYYW 	C46H52N8O11S	924.3477	NA	PeJP	NA	NA
+PJ083045	CNMHHHF 	C39H52N14O9S2	924.3484	NA	PeJP	NA	NA
+PJ083046	SSSQQEEM 	C34H56N10O18S	924.3495	NA	PeJP	NA	NA
+PJ083047	SSNEYYY 	C42H52N8O16	924.3501	NA	PeJP	NA	NA
+PJ083048	SPDEEYW 	C42H52N8O16	924.3502	NA	PeJP	NA	NA
+PJ083049	SSTTMMMH 	C35H60N10O13S3	924.3504	NA	PeJP	NA	NA
+PJ083050	DDDMHHR 	C35H52N14O14S	924.3509	NA	PeJP	NA	NA
+PJ083051	PPCEMYW 	C43H56N8O11S2	924.351	NA	PeJP	NA	NA
+PJ083052	TTEEEMW 	C39H56N8O16S	924.3535	NA	PeJP	NA	NA
+PJ083053	GSCCDERR 	C32H56N14O14S2	924.3542	NA	PeJP	NA	NA
+PJ083054	PTEMMMW 	C40H60N8O11S3	924.3544	NA	PeJP	NA	NA
+PJ083055	CNNNQFW 	C40H52N12O12S	924.3549	NA	PeJP	NA	NA
+PJ083056	GPCCCMRR 	C33H60N14O9S4	924.3551	NA	PeJP	NA	NA
+PJ083057	STTTEEEE 	C35H56N8O21	924.356	NA	PeJP	NA	NA
+PJ083058	KEEEEMM 	C36H60N8O16S2	924.3569	NA	PeJP	NA	NA
+PJ083059	GSSSSSNNW 	C36H52N12O17	924.3574	NA	PeJP	NA	NA
+PJ083060	GPVEMMMM 	C37H64N8O11S4	924.3578	NA	PeJP	NA	NA
+PJ083061	SCNEMRW 	C37H56N12O12S2	924.3582	NA	PeJP	NA	NA
+PJ083062	GGSCEMRW 	C37H56N12O12S2	924.3583	NA	PeJP	NA	NA
+PJ083063	NDEHHHH 	C37H48N16O13	924.3587	NA	PeJP	NA	NA
+PJ083064	GSTCWWW 	C45H52N10O10S	924.3589	NA	PeJP	NA	NA
+PJ083065	SSSNDEMR 	C33H56N12O17S	924.3607	NA	PeJP	NA	NA
+PJ083066	GGSSSDEMR 	C33H56N12O17S	924.3608	NA	PeJP	NA	NA
+PJ083067	GSSSSEWW 	C41H52N10O15	924.3614	NA	PeJP	NA	NA
+PJ083068	NNEMMMR 	C34H60N12O12S3	924.3616	NA	PeJP	NA	NA
+PJ083069	GSCNDHHR 	C34H52N16O13S	924.3621	NA	PeJP	NA	NA
+PJ083070	GSQMMWW 	C42H56N10O10S2	924.3623	NA	PeJP	NA	NA
+PJ083071	GSSTQEMW 	C38H56N10O15S	924.3648	NA	PeJP	NA	NA
+PJ083072	EEEFWW 	C46H52N8O13	924.3654	NA	PeJP	NA	NA
+PJ083073	AQQMMMW 	C39H60N10O10S3	924.3656	NA	PeJP	NA	NA
+PJ083074	GGGGVMMMW 	C39H60N10O10S3	924.3657	NA	PeJP	NA	NA
+PJ083075	SNNMHHW 	C39H52N14O11S	924.3661	NA	PeJP	NA	NA
+PJ083076	GSSSSDKEE 	C34H56N10O20	924.3673	NA	PeJP	NA	NA
+PJ083077	TEEEMMR 	C35H60N10O15S2	924.3681	NA	PeJP	NA	NA
+PJ083078	GGGGSSLEMM 	C35H60N10O15S2	924.3682	NA	PeJP	NA	NA
+PJ083079	GPNDDDHR 	C35H52N14O16	924.3686	NA	PeJP	NA	NA
+PJ083080	APEEMYW 	C43H56N8O13S	924.3688	NA	PeJP	NA	NA
+PJ083081	PEMMMMR 	C36H64N10O10S4	924.369	NA	PeJP	NA	NA
+PJ083082	SCCDRRW 	C36H56N14O11S2	924.3695	NA	PeJP	NA	NA
+PJ083083	CCKMFFF 	C44H60N8O8S3	924.3697	NA	PeJP	NA	NA
+PJ083084	EMHHWW 	C44H52N12O9S	924.3701	NA	PeJP	NA	NA
+PJ083085	VQEEEEY 	C39H56N8O18	924.3713	NA	PeJP	NA	NA
+PJ083086	SSSCDDRR 	C32H56N14O16S	924.372	NA	PeJP	NA	NA
+PJ083087	SLEEMMW 	C40H60N8O13S2	924.3722	NA	PeJP	NA	NA
+PJ083088	GNDDRYW 	C40H52N12O14	924.3726	NA	PeJP	NA	NA
+PJ083089	GGGGGGGGTYW 	C40H52N12O14	924.3727	NA	PeJP	NA	NA
+PJ083090	CNDMMRR 	C33H60N14O11S3	924.3728	NA	PeJP	NA	NA
+PJ083091	GGCDMMRR 	C33H60N14O11S3	924.3729	NA	PeJP	NA	NA
+PJ083092	PVMMMMW 	C41H64N8O8S4	924.373	NA	PeJP	NA	NA
+PJ083093	GSCMRWW 	C41H56N12O9S2	924.3735	NA	PeJP	NA	NA
+PJ083094	GDHHHHW 	C41H48N16O10	924.374	NA	PeJP	NA	NA
+PJ083095	CHFFWW 	C49H52N10O7S	924.3742	NA	PeJP	NA	NA
+PJ083096	SSTLEEEM 	C36H60N8O18S	924.3747	NA	PeJP	NA	NA
+PJ083097	AALEEMMM 	C37H64N8O13S3	924.3755	NA	PeJP	NA	NA
+PJ083098	GSSSDMRW 	C37H56N12O14S	924.376	NA	PeJP	NA	NA
+PJ083099	SSSSWWW 	C45H52N10O12	924.3766	NA	PeJP	NA	NA
+PJ083100	GGQEYWW 	C45H52N10O12	924.3767	NA	PeJP	NA	NA
+PJ083101	GNMMMRW 	C38H60N12O9S3	924.3769	NA	PeJP	NA	NA
+PJ083102	GPTCHHHH 	C38H52N16O10S	924.3774	NA	PeJP	NA	NA
+PJ083103	GSSSSSEER 	C33H56N12O19	924.3785	NA	PeJP	NA	NA
+PJ083104	GSSQEMMR 	C34H60N12O14S2	924.3794	NA	PeJP	NA	NA
+PJ083105	GNNNNQQH 	C34H52N16O15	924.3798	NA	PeJP	NA	NA
+PJ083106	GGGGGNNQQH 	C34H52N16O15	924.3799	NA	PeJP	NA	NA
+PJ083107	SSTQMWW 	C42H56N10O12S	924.38	NA	PeJP	NA	NA
+PJ083108	GPCCKMMR 	C35H64N12O9S4	924.3803	NA	PeJP	NA	NA
+PJ083109	CNQMHHR 	C35H56N16O10S2	924.3807	NA	PeJP	NA	NA
+PJ083110	SSSSDKEW 	C38H56N10O17	924.3825	NA	PeJP	NA	NA
+PJ083111	GGGGPPPEEE 	C38H56N10O17	924.3826	NA	PeJP	NA	NA
+PJ083112	SNKEMMW 	C39H60N10O12S2	924.3834	NA	PeJP	NA	NA
+PJ083113	GSSSQHHW 	C39H52N14O13	924.3839	NA	PeJP	NA	NA
+PJ083114	CKYYYW 	C47H56N8O10S	924.384	NA	PeJP	NA	NA
+PJ083115	PPCEFFW 	C47H56N8O10S	924.3841	NA	PeJP	NA	NA
+PJ083116	SSSQKEEM 	C35H60N10O17S	924.3859	NA	PeJP	NA	NA
+PJ083117	PTTEEYW 	C43H56N8O15	924.3865	NA	PeJP	NA	NA
+PJ083118	GLEEEYW 	C43H56N8O15	924.3866	NA	PeJP	NA	NA
+PJ083119	VEEMMMR 	C36H64N10O12S3	924.3868	NA	PeJP	NA	NA
+PJ083120	NNNNMRY 	C36H56N14O13S	924.3872	NA	PeJP	NA	NA
+PJ083121	GGGGGGNMRY 	C36H56N14O13S	924.3873	NA	PeJP	NA	NA
+PJ083122	PPTMMYW 	C44H60N8O10S2	924.3874	NA	PeJP	NA	NA
+PJ083123	GPNEHWW 	C44H52N12O11	924.3879	NA	PeJP	NA	NA
+PJ083124	ACCMRRW 	C37H60N14O8S3	924.3881	NA	PeJP	NA	NA
+PJ083125	SSSSSSNNR 	C32H56N14O18	924.3897	NA	PeJP	NA	NA
+PJ083126	PKEEEMY 	C40H60N8O15S	924.3899	NA	PeJP	NA	NA
+PJ083127	GSSCEMRR 	C33H60N14O13S2	924.3906	NA	PeJP	NA	NA
+PJ083128	VVEMMMW 	C41H64N8O10S3	924.3908	NA	PeJP	NA	NA
+PJ083129	SSTCRWW 	C41H56N12O11S	924.3912	NA	PeJP	NA	NA
+PJ083130	GGSPCRYW 	C41H56N12O11S	924.3913	NA	PeJP	NA	NA
+PJ083131	GQYWWW 	C49H52N10O9	924.3919	NA	PeJP	NA	NA
+PJ083132	GGCCHHRR 	C34H56N18O9S2	924.392	NA	PeJP	NA	NA
+PJ083133	ATTLEEMM 	C37H64N8O15S2	924.3933	NA	PeJP	NA	NA
+PJ083134	SNQEERY 	C37H56N12O16	924.3937	NA	PeJP	NA	NA
+PJ083135	SSSSSERW 	C37H56N12O16	924.3938	NA	PeJP	NA	NA
+PJ083136	APTLMMMM 	C38H68N8O10S4	924.3942	NA	PeJP	NA	NA
+PJ083137	SSQMMRW 	C38H60N12O11S2	924.3946	NA	PeJP	NA	NA
+PJ083138	GGGAAPPMMH 	C38H60N12O11S2	924.3947	NA	PeJP	NA	NA
+PJ083139	TQEHHHH 	C38H52N16O12	924.3951	NA	PeJP	NA	NA
+PJ083140	QQMFWW 	C46H56N10O9S	924.3953	NA	PeJP	NA	NA
+PJ083141	SSSTQEMR 	C34H60N12O16S	924.3971	NA	PeJP	NA	NA
+PJ083142	GSSTTTWW 	C42H56N10O14	924.3978	NA	PeJP	NA	NA
+PJ083143	NDKMMMR 	C35H64N12O11S3	924.398	NA	PeJP	NA	NA
+PJ083144	GSSNMHHR 	C35H56N16O12S	924.3985	NA	PeJP	NA	NA
+PJ083145	ATCKMWW 	C43H60N10O9S2	924.3986	NA	PeJP	NA	NA
+PJ083146	GSKMMWW 	C43H60N10O9S2	924.3987	NA	PeJP	NA	NA
+PJ083147	GNQHHFW 	C43H52N14O10	924.3991	NA	PeJP	NA	NA
+PJ083148	SSSSLQMW 	C39H60N10O14S	924.4011	NA	PeJP	NA	NA
+PJ083149	GSSTKEMW 	C39H60N10O14S	924.4012	NA	PeJP	NA	NA
+PJ083150	LEEYWW 	C47H56N8O12	924.4018	NA	PeJP	NA	NA
+PJ083151	AQKMMMW 	C40H64N10O9S3	924.402	NA	PeJP	NA	NA
+PJ083152	SCQKHHW 	C40H56N14O10S	924.4025	NA	PeJP	NA	NA
+PJ083153	PNHWWW 	C48H52N12O8	924.4031	NA	PeJP	NA	NA
+PJ083154	GGPHWWW 	C48H52N12O8	924.4032	NA	PeJP	NA	NA
+PJ083155	ASSSSTKEE 	C35H60N10O19	924.4036	NA	PeJP	NA	NA
+PJ083156	GSSSTTKEE 	C35H60N10O19	924.4037	NA	PeJP	NA	NA
+PJ083157	GSDKKEMM 	C36H64N10O14S2	924.4045	NA	PeJP	NA	NA
+PJ083158	SNDDRRY 	C36H56N14O15	924.405	NA	PeJP	NA	NA
+PJ083159	SPLEMYW 	C44H60N8O12S	924.4052	NA	PeJP	NA	NA
+PJ083160	GPCKKMMM 	C37H68N10O9S4	924.4054	NA	PeJP	NA	NA
+PJ083161	SSCMRRW 	C37H60N14O10S2	924.4059	NA	PeJP	NA	NA
+PJ083162	SDHHHHR 	C37H52N18O11	924.4063	NA	PeJP	NA	NA
+PJ083163	CQFRWW 	C45H56N12O8S	924.4065	NA	PeJP	NA	NA
+PJ083164	VKEEEEY 	C40H60N8O17	924.4077	NA	PeJP	NA	NA
+PJ083165	SSSSDMRR 	C33H60N14O15S	924.4084	NA	PeJP	NA	NA
+PJ083166	SSPPLMMY 	C41H64N8O12S2	924.4085	NA	PeJP	NA	NA
+PJ083167	AAPLEMMY 	C41H64N8O12S2	924.4086	NA	PeJP	NA	NA
+PJ083168	GSQERYW 	C41H56N12O13	924.409	NA	PeJP	NA	NA
+PJ083169	GGGGGGGGGVFF 	C41H56N12O13	924.4091	NA	PeJP	NA	NA
+PJ083170	SNMMMRR 	C34H64N14O10S3	924.4092	NA	PeJP	NA	NA
+PJ083171	GGACCCKKR 	C34H64N14O10S3	924.4093	NA	PeJP	NA	NA
+PJ083172	ALMMHHW 	C42H60N12O8S2	924.4099	NA	PeJP	NA	NA
+PJ083173	ATHHHHW 	C42H52N16O9	924.4104	NA	PeJP	NA	NA
+PJ083174	TTTTLEEM 	C37H64N8O17S	924.411	NA	PeJP	NA	NA
+PJ083175	GTLLEMMM 	C38H68N8O12S3	924.4119	NA	PeJP	NA	NA
+PJ083176	GSSTTMRW 	C38H60N12O13S	924.4124	NA	PeJP	NA	NA
+PJ083177	NKEYWW 	C46H56N10O11	924.413	NA	PeJP	NA	NA
+PJ083178	GGPPPEWW 	C46H56N10O11	924.4131	NA	PeJP	NA	NA
+PJ083179	ACKMMRW 	C39H64N12O8S3	924.4133	NA	PeJP	NA	NA
+PJ083180	VQMHHHH 	C39H56N16O9S	924.4137	NA	PeJP	NA	NA
+PJ083181	GSSSTTTER 	C34H60N12O18	924.4149	NA	PeJP	NA	NA
+PJ083182	SSSLNMMR 	C35H64N12O13S2	924.4157	NA	PeJP	NA	NA
+PJ083183	GSSKEMMR 	C35H64N12O13S2	924.4158	NA	PeJP	NA	NA
+PJ083184	SSSSQHHR 	C35H56N16O14	924.4162	NA	PeJP	NA	NA
+PJ083185	GGGGGAQEHR 	C35H56N16O14	924.4163	NA	PeJP	NA	NA
+PJ083186	SSTKMWW 	C43H60N10O11S	924.4164	NA	PeJP	NA	NA
+PJ083187	GPPCCHRR 	C36H60N16O9S2	924.4171	NA	PeJP	NA	NA
+PJ083188	SSSTTKEW 	C39H60N10O16	924.4189	NA	PeJP	NA	NA
+PJ083189	SDKKMMW 	C40H64N10O11S2	924.4198	NA	PeJP	NA	NA
+PJ083190	SPNEHRW 	C40H56N14O12	924.4202	NA	PeJP	NA	NA
+PJ083191	GGSPEHRW 	C40H56N14O12	924.4203	NA	PeJP	NA	NA
+PJ083192	PPCLFYW 	C48H60N8O9S	924.4204	NA	PeJP	NA	NA
+PJ083193	TCCMRRR 	C33H64N16O9S3	924.4205	NA	PeJP	NA	NA
+PJ083194	SSSKKEEM 	C36H64N10O16S	924.4223	NA	PeJP	NA	NA
+PJ083195	SVLEEYW 	C44H60N8O14	924.4229	NA	PeJP	NA	NA
+PJ083196	QKKEMMM 	C37H68N10O11S3	924.4231	NA	PeJP	NA	NA
+PJ083197	GAKKEMMM 	C37H68N10O11S3	924.4232	NA	PeJP	NA	NA
+PJ083198	GNEMRRY 	C37H60N14O12S	924.4236	NA	PeJP	NA	NA
+PJ083199	GGGGGAPPPCR 	C37H60N14O12S	924.4237	NA	PeJP	NA	NA
+PJ083200	PVVMMYW 	C45H64N8O9S2	924.4238	NA	PeJP	NA	NA
+PJ083201	SQRYWW 	C45H56N12O10	924.4243	NA	PeJP	NA	NA
+PJ083202	AMHHHHR 	C38H56N18O8S	924.425	NA	PeJP	NA	NA
+PJ083203	LLQEEMY 	C41H64N8O14S	924.4263	NA	PeJP	NA	NA
+PJ083204	GSSTMMRR 	C34H64N14O12S2	924.427	NA	PeJP	NA	NA
+PJ083205	TLLMMMW 	C42H68N8O9S3	924.4272	NA	PeJP	NA	NA
+PJ083206	NNNDHRR 	C34H56N18O13	924.4275	NA	PeJP	NA	NA
+PJ083207	AAQMRYW 	C42H60N12O10S	924.4276	NA	PeJP	NA	NA
+PJ083208	GGGVMRYW 	C42H60N12O10S	924.4277	NA	PeJP	NA	NA
+PJ083209	GKYWWW 	C50H56N10O8	924.4283	NA	PeJP	NA	NA
+PJ083210	STTLLEMM 	C38H68N8O14S2	924.4297	NA	PeJP	NA	NA
+PJ083211	SSSTTTRW 	C38H60N12O15	924.4301	NA	PeJP	NA	NA
+PJ083212	GGSKEERY 	C38H60N12O15	924.4302	NA	PeJP	NA	NA
+PJ083213	GVLLMMMM 	C39H72N8O9S4	924.4306	NA	PeJP	NA	NA
+PJ083214	SSKMMRW 	C39H64N12O10S2	924.431	NA	PeJP	NA	NA
+PJ083215	GNQQHRW 	C39H56N16O11	924.4315	NA	PeJP	NA	NA
+PJ083216	QKMFWW 	C47H60N10O8S	924.4317	NA	PeJP	NA	NA
+PJ083217	SSSTKEMR 	C35H64N12O15S	924.4335	NA	PeJP	NA	NA
+PJ083218	GDKKEYW 	C43H60N10O13	924.4342	NA	PeJP	NA	NA
+PJ083219	TQKMMMR 	C36H68N12O10S3	924.4344	NA	PeJP	NA	NA
+PJ083220	GCDRRRY 	C36H60N16O11S	924.4349	NA	PeJP	NA	NA
+PJ083221	PPMMFFR 	C44H64N10O8S2	924.435	NA	PeJP	NA	NA
+PJ083222	GSPHRWW 	C44H56N14O9	924.4355	NA	PeJP	NA	NA
+PJ083223	SSSSLKMW 	C40H64N10O13S	924.4375	NA	PeJP	NA	NA
+PJ083224	AAAAAKEMY 	C40H64N10O13S	924.4376	NA	PeJP	NA	NA
+PJ083225	SPPLYYW 	C48H60N8O11	924.4382	NA	PeJP	NA	NA
+PJ083226	AKKMMMW 	C41H68N10O8S3	924.4384	NA	PeJP	NA	NA
+PJ083227	NMRRYW 	C41H60N14O9S	924.4389	NA	PeJP	NA	NA
+PJ083228	LHHFWW 	C49H56N12O7	924.4395	NA	PeJP	NA	NA
+PJ083229	SSSSSTLKE 	C36H64N10O18	924.44	NA	PeJP	NA	NA
+PJ083230	GTTKKEMM 	C37H68N10O13S2	924.4409	NA	PeJP	NA	NA
+PJ083231	SSQERRY 	C37H60N14O14	924.4414	NA	PeJP	NA	NA
+PJ083232	ALLEMYW 	C45H64N8O11S	924.4416	NA	PeJP	NA	NA
+PJ083233	LLMMMMR 	C38H72N10O8S4	924.4418	NA	PeJP	NA	NA
+PJ083234	VCNMFRR 	C38H64N14O9S2	924.4422	NA	PeJP	NA	NA
+PJ083235	PCCKRRY 	C38H64N14O9S2	924.4423	NA	PeJP	NA	NA
+PJ083236	TTHHHHR 	C38H56N18O10	924.4427	NA	PeJP	NA	NA
+PJ083237	CKFRWW 	C46H60N12O7S	924.4429	NA	PeJP	NA	NA
+PJ083238	GTTLLEEY 	C41H64N8O16	924.4441	NA	PeJP	NA	NA
+PJ083239	SSSTTMRR 	C34H64N14O14S	924.4447	NA	PeJP	NA	NA
+PJ083240	GPTLLMMY 	C42H68N8O11S2	924.4449	NA	PeJP	NA	NA
+PJ083241	GSKERYW 	C42H60N12O12	924.4454	NA	PeJP	NA	NA
+PJ083242	TCKMMRR 	C35H68N14O9S3	924.4456	NA	PeJP	NA	NA
+2685	NA	GGTYSCHFGPLTFVCKPQGG	924.448	MH2+	Inhouse_peptide	NA	peptide
+PJ083243	SSLLLMMM 	C39H72N8O11S3	924.4483	NA	PeJP	NA	NA
+PJ083244	AQKEMRY 	C39H64N12O12S	924.4488	NA	PeJP	NA	NA
+PJ083245	DKKYWW 	C47H60N10O10	924.4494	NA	PeJP	NA	NA
+PJ083246	APCHRRW 	C40H60N16O8S	924.4501	NA	PeJP	NA	NA
+PJ083247	SSSSSTTLR 	C35H64N12O17	924.4513	NA	PeJP	NA	NA
+MJ097837	Vindolicine 	C51H64N4O12	924.452073	NA	MeJP	NA	NA
+PJ083248	GTTTKMMR 	C36H68N12O12S2	924.4521	NA	PeJP	NA	NA
+PJ083249	GGSSCKKKM 	C36H68N12O12S2	924.4522	NA	PeJP	NA	NA
+PJ083250	AQEEHRR 	C36H60N16O13	924.4526	NA	PeJP	NA	NA
+PJ083251	GGGGGGGGGKKH 	C36H60N16O13	924.4527	NA	PeJP	NA	NA
+PJ083252	GLQKMYW 	C44H64N10O10S	924.4528	NA	PeJP	NA	NA
+PJ083253	GCMFRRR 	C37H64N16O8S2	924.4535	NA	PeJP	NA	NA
+PJ083254	STTTTTKW 	C40H64N10O15	924.4553	NA	PeJP	NA	NA
+PJ083255	TTKKMMW 	C41H68N10O10S2	924.4562	NA	PeJP	NA	NA
+PJ083256	GSTRRYW 	C41H60N14O11	924.4566	NA	PeJP	NA	NA
+PJ083257	GGALEHRW 	C41H60N14O11	924.4567	NA	PeJP	NA	NA
+PJ083258	PVVMFFW 	C49H64N8O8S	924.4568	NA	PeJP	NA	NA
+PJ083259	STTTKKEM 	C37H68N10O15S	924.4587	NA	PeJP	NA	NA
+PJ083260	TTLLEYW 	C45H64N8O13	924.4593	NA	PeJP	NA	NA
+PJ083261	KKKEMMM 	C38H72N10O10S3	924.4595	NA	PeJP	NA	NA
+PJ083262	GDKMRRY 	C38H64N14O11S	924.46	NA	PeJP	NA	NA
+PJ083263	VVLMMFW 	C46H68N8O8S2	924.4602	NA	PeJP	NA	NA
+PJ083264	SKRYWW 	C46H60N12O9	924.4607	NA	PeJP	NA	NA
+2945	NA	FGGFTGARRPKLWDNQ	924.4609	MH2+	Inhouse_peptide	NA	peptide
+PJ083265	LLKEEMY 	C42H68N8O13S	924.4627	NA	PeJP	NA	NA
+PJ083266	SNQQHRR 	C35H60N18O12	924.4638	NA	PeJP	NA	NA
+PJ083267	GDEHRRR 	C35H60N18O12	924.4639	NA	PeJP	NA	NA
+PJ083268	AAKMRYW 	C43H64N12O9S	924.464	NA	PeJP	NA	NA
+PJ083269	SDKKERY 	C39H64N12O14	924.4665	NA	PeJP	NA	NA
+PJ083270	GAAPPLDER 	C39H64N12O14	924.4666	NA	PeJP	NA	NA
+PJ083271	PCKKMRY 	C40H68N12O9S2	924.4674	NA	PeJP	NA	NA
+PJ083272	AAEHRRW 	C40H60N16O10	924.4679	NA	PeJP	NA	NA
+PJ083273	KKMFWW 	C48H64N10O7S	924.4681	NA	PeJP	NA	NA
+PJ083274	STTTTKMR 	C36H68N12O14S	924.4699	NA	PeJP	NA	NA
+PJ083275	ATKKEYW 	C44H64N10O12	924.4705	NA	PeJP	NA	NA
+PJ083276	GGTTLKYW 	C44H64N10O12	924.4706	NA	PeJP	NA	NA
+PJ083277	TKKMMMR 	C37H72N12O9S3	924.4708	NA	PeJP	NA	NA
+PJ083278	GSMRRRY 	C37H64N16O10S	924.4712	NA	PeJP	NA	NA
+PJ083279	GAPTMHRR 	C37H64N16O10S	924.4713	NA	PeJP	NA	NA
+MJ097838	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-[?-arabino-2-hexulopyranosyl-(1?3)-?-D-glucopyranoside] 	C47H72O18	924.471865	NA	MeJP	NA	NA
+MJ097839	20,24-Epoxy-3,16-dihydroxycucurbita-5,23-diene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-xylopyranoside] 	C47H72O18	924.471865	NA	MeJP	NA	NA
+MJ097840	Cynajapogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-cymaropyranoside] 	C47H72O18	924.471865	NA	MeJP	NA	NA
+MJ097841	Furostane-2,3,5,6,22,26-hexol, 22-Me ether, 3-benzoyl, 2,26-di-O-?-D-glucopyranoside 	C47H72O18	924.471865	NA	MeJP	NA	NA
+MJ097842	Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-(6-O-methylglucuronopyranoside)], 28-?-D-glucopyranosyl ester 	C47H72O18	924.471865	NA	MeJP	NA	NA
+PJ083280	LQHRWW 	C45H60N14O8	924.4719	NA	PeJP	NA	NA
+PJ083281	TLLEMRY 	C41H68N10O12S	924.4739	NA	PeJP	NA	NA
+PJ083282	APLLYYW 	C49H64N8O10	924.4746	NA	PeJP	NA	NA
+PJ083283	APKMHRW 	C42H64N14O8S	924.4753	NA	PeJP	NA	NA
+PJ083284	SSSTTTTLK 	C37H68N10O17	924.4764	NA	PeJP	NA	NA
+PJ083285	SSTLKKMM 	C38H72N10O12S2	924.4773	NA	PeJP	NA	NA
+PJ083286	TTTQRRY 	C38H64N14O13	924.4777	NA	PeJP	NA	NA
+PJ083287	SSKERRY 	C38H64N14O13	924.4778	NA	PeJP	NA	NA
+PJ083288	SLLLMYW 	C46H68N8O10S	924.4779	NA	PeJP	NA	NA
+PJ083289	AAPLLMFY 	C46H68N8O10S	924.478	NA	PeJP	NA	NA
+PJ083290	GKMMFRR 	C39H68N14O8S2	924.4786	NA	PeJP	NA	NA
+PJ083291	DHRRRW 	C39H60N18O9	924.4791	NA	PeJP	NA	NA
+PJ083292	SSTLLLEY 	C42H68N8O15	924.4804	NA	PeJP	NA	NA
+PJ083293	PPVLLEEE 	C42H68N8O15	924.4805	NA	PeJP	NA	NA
+PJ083294	AALLLMMY 	C43H72N8O10S2	924.4813	NA	PeJP	NA	NA
+PJ083295	ATTKRYW 	C43H64N12O11	924.4818	NA	PeJP	NA	NA
+PJ083296	PTCHRRR 	C36H64N18O9S	924.4825	NA	PeJP	NA	NA
+PJ083297	SLQKMRY 	C40H68N12O11S	924.4851	NA	PeJP	NA	NA
+PJ083298	AKKEMRY 	C40H68N12O11S	924.4852	NA	PeJP	NA	NA
+PJ083299	PPVLQWW 	C48H64N10O9	924.4858	NA	PeJP	NA	NA
+PJ083300	SSSSSSKKK 	C36H68N12O16	924.4877	NA	PeJP	NA	NA
+PJ083301	STCCKKKK 	C37H72N12O11S2	924.4885	NA	PeJP	NA	NA
+PJ083302	SSTRRRY 	C37H64N16O12	924.489	NA	PeJP	NA	NA
+PJ083303	GLKKMYW 	C45H68N10O9S	924.4892	NA	PeJP	NA	NA
+PJ083304	TKKKEEY 	C41H68N10O14	924.4917	NA	PeJP	NA	NA
+PJ083305	VLLMMRY 	C42H72N10O9S2	924.4926	NA	PeJP	NA	NA
+MJ097843	Perdeacylorizabin; 2A-(2-Methylpropanoyl) 	C44H76O20	924.492994	NA	MeJP	NA	NA
+PJ083306	PPVDRRW 	C42H64N14O10	924.493	NA	PeJP	NA	NA
+PJ083307	PLLKEYY 	C46H68N8O12	924.4957	NA	PeJP	NA	NA
+PJ083308	ATKMRRY 	C39H68N14O10S	924.4964	NA	PeJP	NA	NA
+PJ083309	APPLRWW 	C47H64N12O8	924.497	NA	PeJP	NA	NA
+PJ083310	GVLKHWW 	C47H64N12O8	924.4971	NA	PeJP	NA	NA
+PJ083311	ATTLLLMY 	C43H72N8O12S	924.4991	NA	PeJP	NA	NA
+PJ083312	ATEHRRR 	C36H64N18O11	924.5002	NA	PeJP	NA	NA
+PJ083313	GGGGTKHRR 	C36H64N18O11	924.5003	NA	PeJP	NA	NA
+PJ083314	PVKKMHW 	C44H68N12O8S	924.5004	NA	PeJP	NA	NA
+PJ083315	TTKKERY 	C40H68N12O13	924.5029	NA	PeJP	NA	NA
+PJ083316	GGGGGGGAPLLL 	C40H68N12O13	924.503	NA	PeJP	NA	NA
+PJ083317	CLKKMFR 	C41H72N12O8S2	924.5038	NA	PeJP	NA	NA
+PJ083318	GTLHRRW 	C41H64N16O9	924.5043	NA	PeJP	NA	NA
+PJ083319	STLKKYW 	C45H68N10O11	924.5069	NA	PeJP	NA	NA
+PJ083320	GPPVLKEW 	C45H68N10O11	924.507	NA	PeJP	NA	NA
+PJ083321	PTKMHRR 	C38H68N16O9S	924.5076	NA	PeJP	NA	NA
+MJ097844	12-Oleanene-3,22-diol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O17	924.508251	NA	MeJP	NA	NA
+MJ097845	27(13?18)-Abeo-3-hydroxy-14-taraxeren-28-oic acid, 3-Ketone, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O17	924.508251	NA	MeJP	NA	NA
+MJ097846	3-Hydroxy-11,13(18)-oleanadien-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O17	924.508251	NA	MeJP	NA	NA
+MJ097847	3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?3)-?-L-fucopyranoside] 	C48H76O17	924.508251	NA	MeJP	NA	NA
+MJ097848	3-Hydroxy-9(11),12-oleanadien-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O17	924.508251	NA	MeJP	NA	NA
+MJ097849	Hederagenin 3-glycosides; Triglycosides, 3-O-[3-O-Acetyl-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C48H76O17	924.508251	NA	MeJP	NA	NA
+MJ097850	Hederagenin 3-glycosides; Triglycosides, 3-O-[4-O-Acetyl-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C48H76O17	924.508251	NA	MeJP	NA	NA
+PJ083322	LKHRWW 	C46H64N14O7	924.5083	NA	PeJP	NA	NA
+PJ083323	VKKKEMY 	C42H72N10O11S	924.5103	NA	PeJP	NA	NA
+PJ083324	ALLLFYW 	C50H68N8O9	924.511	NA	PeJP	NA	NA
+PJ083325	TTTKRRY 	C39H68N14O12	924.5141	NA	PeJP	NA	NA
+PJ083326	GPPTLERR 	C39H68N14O12	924.5142	NA	PeJP	NA	NA
+PJ083327	AALLLMFF 	C47H72N8O9S	924.5143	NA	PeJP	NA	NA
+PJ083328	GPHFRRR 	C40H64N18O8	924.5155	NA	PeJP	NA	NA
+PJ083329	TTTTLLLY 	C43H72N8O14	924.5168	NA	PeJP	NA	NA
+PJ083330	PPLKERW 	C44H68N12O10	924.5182	NA	PeJP	NA	NA
+PJ083331	GLMHRRR 	C37H68N18O8S	924.5189	NA	PeJP	NA	NA
+PJ083332	SLKKMRY 	C41H72N12O10S	924.5215	NA	PeJP	NA	NA
+PJ083333	GACKKKKY 	C41H72N12O10S	924.5216	NA	PeJP	NA	NA
+PJ083334	PPVLKWW 	C49H68N10O8	924.5222	NA	PeJP	NA	NA
+PJ083335	SLKEHRR 	C38H68N16O11	924.5254	NA	PeJP	NA	NA
+PJ083336	LLLLMHW 	C46H72N10O8S	924.5256	NA	PeJP	NA	NA
+PJ083337	SSSLLKKY 	C42H72N10O13	924.5281	NA	PeJP	NA	NA
+PJ083338	LKKKMMF 	C43H76N10O8S2	924.5289	NA	PeJP	NA	NA
+PJ083339	PPTLRRW 	C43H68N14O9	924.5294	NA	PeJP	NA	NA
+PJ083340	LLLLQYY 	C47H72N8O11	924.5321	NA	PeJP	NA	NA
+PJ083341	GPPVLMRR 	C40H72N14O9S	924.5328	NA	PeJP	NA	NA
+PJ083342	PPLLLLEM 	C44H76N8O11S	924.5355	NA	PeJP	NA	NA
+PJ083343	STLHRRR 	C37H68N18O10	924.5366	NA	PeJP	NA	NA
+PJ083344	GSSKKKKY 	C41H72N12O12	924.5393	NA	PeJP	NA	NA
+PJ083345	KFRRRY 	C42H68N16O8	924.5406	NA	PeJP	NA	NA
+PJ083346	PPPFRRR 	C42H68N16O8	924.5407	NA	PeJP	NA	NA
+PJ083347	APPTLLKW 	C46H72N10O10	924.5433	NA	PeJP	NA	NA
+PJ083348	PPLMRRR 	C39H72N16O8S	924.544	NA	PeJP	NA	NA
+PJ083349	SVLLLLMH 	C43H76N10O10S	924.5467	NA	PeJP	NA	NA
+PJ083350	GPQRRRR 	C36H68N20O9	924.5479	NA	PeJP	NA	NA
+PJ083351	AAPLLERR 	C40H72N14O11	924.5505	NA	PeJP	NA	NA
+PJ083352	AAPILERR 	C40H72N14O11	924.5506	NA	PeJP	NA	NA
+PJ083353	PVLLLLEE 	C44H76N8O13	924.5532	NA	PeJP	NA	NA
+PJ083354	PLLLQRW 	C45H72N12O9	924.5546	NA	PeJP	NA	NA
+PJ083355	CKKKKKY 	C42H76N12O9S	924.5579	NA	PeJP	NA	NA
+PJ083356	PVLERRR 	C39H72N16O10	924.5618	NA	PeJP	NA	NA
+PJ083357	PPTLLKKE 	C43H76N10O12	924.5645	NA	PeJP	NA	NA
+PJ083358	PVVLRRW 	C44H72N14O8	924.5658	NA	PeJP	NA	NA
+PJ083359	LLLLKYY 	C48H76N8O10	924.5685	NA	PeJP	NA	NA
+PJ083360	LLKKMHR 	C41H76N14O8S	924.5692	NA	PeJP	NA	NA
+PJ083361	PVNKRRR 	C38H72N18O9	924.573	NA	PeJP	NA	NA
+PJ083362	GPLLLKER 	C42H76N12O11	924.5757	NA	PeJP	NA	NA
+PJ083363	GPVLLLKW 	C47H76N10O9	924.5797	NA	PeJP	NA	NA
+PJ083364	PPVLLKKM 	C44H80N10O9S	924.5831	NA	PeJP	NA	NA
+PJ083365	GPKRRRR 	C37H72N20O8	924.5843	NA	PeJP	NA	NA
+PJ083366	GPTLLLRR 	C41H76N14O10	924.5869	NA	PeJP	NA	NA
+PJ083367	PLLLKRW 	C46H76N12O8	924.591	NA	PeJP	NA	NA
+PJ083368	PLQKKRR 	C40H76N16O9	924.5982	NA	PeJP	NA	NA
+PJ083369	PTLLLLQK 	C44H80N10O11	924.6008	NA	PeJP	NA	NA
+MJ097851	Antibiotic LI-F; Antibiotic LI-F08B 	C44H80N10O11	924.600803	NA	MeJP	NA	NA
+PJ083370	PVVLLKKE 	C44H80N10O11	924.6009	NA	PeJP	NA	NA
+PJ083371	PPLLLLLF 	C49H80N8O9	924.6049	NA	PeJP	NA	NA
+PJ083372	PLLLLLLM 	C46H84N8O9S	924.6082	NA	PeJP	NA	NA
+PJ083373	SPVLLLKR 	C43H80N12O10	924.6121	NA	PeJP	NA	NA
+PJ083374	AALLLLRR 	C42H80N14O9	924.6233	NA	PeJP	NA	NA
+PJ083375	VLLLLLLE 	C46H84N8O11	924.626	NA	PeJP	NA	NA
+PJ083376	PLKKKRR 	C41H80N16O8	924.6345	NA	PeJP	NA	NA
+PJ083377	VLLLRRR 	C41H80N16O8	924.6346	NA	PeJP	NA	NA
+PJ083378	PTLLLLKK 	C45H84N10O10	924.6372	NA	PeJP	NA	NA
+PJ083379	GLLLLLKR 	C44H84N12O9	924.6485	NA	PeJP	NA	NA
+PJ083380	VVLLLLKK 	C46H88N10O9	924.6736	NA	PeJP	NA	NA
+HMDB10510	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C61H96O6	924.720703	NA	HMDB2010	NA	NA
+HMDB10511	TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C61H96O6	924.720703	NA	HMDB2010	NA	NA
+HMDB10528	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	C61H96O6	924.720703	NA	HMDB2010	NA	NA
+HMDB10531	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))[iso3]	C61H96O6	924.720703	NA	HMDB2010	NA	NA
+HMDB10533	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	C61H96O6	924.720703	NA	HMDB2010	NA	NA
+PJ083381	GCCCCCCCE 	C28H47N9O12S7	925.139	NA	PeJP	NA	NA
+PJ083382	CCCCCCCW 	C32H47N9O9S7	925.1542	NA	PeJP	NA	NA
+PJ083383	SSCCCCCCD 	C28H47N9O14S6	925.1567	NA	PeJP	NA	NA
+HMDB12155	3-Hydroxypimelyl-CoA	C28H46N7O20P3S	925.173096	NA	HMDB2010	NA	NA
+C06714	3-Hydroxypimeloyl-CoA	C28H46N7O20P3S	925.1731	NA	KEGG	NA	NA
+MetaCyc04321	3-hydroxypimelyl-CoA [3-hydroxypimeloyl-CoA;]	C28H46N7O20P3S1	925.173117	NA	metacyc	NA	NA
+PJ083384	GTCCCCCCM 	C29H51N9O11S7	925.1753	NA	PeJP	NA	NA
+PJ083385	CCCCCNDY 	C32H47N9O13S5	925.1897	NA	PeJP	NA	NA
+PJ083386	SSSCCCCCM 	C29H51N9O13S6	925.1931	NA	PeJP	NA	NA
+PJ083387	CCCCCNMF 	C33H51N9O10S6	925.2084	NA	PeJP	NA	NA
+PJ083388	CCCCNDEH 	C31H47N11O14S4	925.2187	NA	PeJP	NA	NA
+PJ083389	CNDDDDDD 	C31H43N9O22S	925.2244	NA	PeJP	NA	NA
+PJ083390	SCCCCNMY 	C33H51N9O12S5	925.2261	NA	PeJP	NA	NA
+PJ083391	GCCCCDHW 	C35H47N11O11S4	925.234	NA	PeJP	NA	NA
+PJ083392	GSSCCCDDH 	C31H47N11O16S3	925.2365	NA	PeJP	NA	NA
+PJ083393	ASPCCCCCH 	C32H51N11O11S5	925.2373	NA	PeJP	NA	NA
+PJ083394	GPTCCCCCH 	C32H51N11O11S5	925.2374	NA	PeJP	NA	NA
+PJ083395	GSPCCDDDD 	C32H47N9O19S2	925.243	NA	PeJP	NA	NA
+PJ083396	GSSTCCCCY 	C33H51N9O14S4	925.2439	NA	PeJP	NA	NA
+PJ083397	CCNNNDDE 	C31H47N11O18S2	925.2542	NA	PeJP	NA	NA
+PJ083398	GGGGCCNDDE 	C31H47N11O18S2	925.2543	NA	PeJP	NA	NA
+PJ083399	SCCCNEMH 	C32H51N11O13S4	925.2551	NA	PeJP	NA	NA
+PJ083400	PPCCCCDW 	C37H51N9O11S4	925.2591	NA	PeJP	NA	NA
+PJ083401	SNDDDDDM 	C32H47N9O21S	925.2608	NA	PeJP	NA	NA
+PJ083402	SSSSSCCCY 	C33H51N9O16S3	925.2616	NA	PeJP	NA	NA
+PJ083403	TCCCCCKY 	C34H55N9O11S5	925.2625	NA	PeJP	NA	NA
+PJ083404	CCDEMYY 	C38H51N7O14S3	925.2656	NA	PeJP	NA	NA
+PJ083405	SCCCCDHR 	C31H51N13O12S4	925.2663	NA	PeJP	NA	NA
+PJ083406	GCCNNDDW 	C35H47N11O15S2	925.2695	NA	PeJP	NA	NA
+PJ083407	GSCCCMHW 	C36H51N11O10S4	925.2704	NA	PeJP	NA	NA
+PJ083408	GSSCNNDDD 	C31H47N11O20S	925.272	NA	PeJP	NA	NA
+PJ083409	PCCCDDDR 	C32H51N11O15S3	925.2729	NA	PeJP	NA	NA
+PJ083410	GCCNMMMH 	C33H55N11O10S5	925.2737	NA	PeJP	NA	NA
+PJ083411	GSCDDDEW 	C36H47N9O18S	925.276	NA	PeJP	NA	NA
+PJ083412	GPCCDDMW 	C37H51N9O13S3	925.2769	NA	PeJP	NA	NA
+PJ083413	GSSSDDDDE 	C32H47N9O23	925.2785	NA	PeJP	NA	NA
+PJ083414	GNDDDEMM 	C33H51N9O18S2	925.2794	NA	PeJP	NA	NA
+PJ083415	GSPPCCCEM 	C34H55N9O13S4	925.2803	NA	PeJP	NA	NA
+PJ083416	CCNNNNNM 	C31H51N13O14S3	925.2841	NA	PeJP	NA	NA
+PJ083417	CCEMMFY 	C39H55N7O11S4	925.2843	NA	PeJP	NA	NA
+PJ083418	ACCCCMHR 	C32H55N13O9S5	925.285	NA	PeJP	NA	NA
+PJ083419	SSTCCCHW 	C36H51N11O12S3	925.2881	NA	PeJP	NA	NA
+PJ083420	GCDDDDMR 	C32H51N11O17S2	925.2906	NA	PeJP	NA	NA
+PJ083421	SCDDDWW 	C40H47N9O15S	925.2913	NA	PeJP	NA	NA
+PJ083422	SSCCQMMH 	C33H55N11O12S4	925.2915	NA	PeJP	NA	NA
+PJ083423	PCCCEWW 	C41H51N9O10S3	925.2921	NA	PeJP	NA	NA
+PJ083424	SSSDDDDW 	C36H47N9O20	925.2938	NA	PeJP	NA	NA
+PJ083425	NDDDMMW 	C37H51N9O15S2	925.2946	NA	PeJP	NA	NA
+PJ083426	GGDDDMMW 	C37H51N9O15S2	925.2947	NA	PeJP	NA	NA
+PJ083427	SPPCCCMW 	C38H55N9O10S4	925.2955	NA	PeJP	NA	NA
+PJ083428	SSNDDEEM 	C33H51N9O20S	925.2971	NA	PeJP	NA	NA
+PJ083429	GGSSDDEEM 	C33H51N9O20S	925.2972	NA	PeJP	NA	NA
+PJ083430	SPCNDEMM 	C34H55N9O15S3	925.298	NA	PeJP	NA	NA
+PJ083431	GCNDDEHH 	C34H47N13O16S	925.2985	NA	PeJP	NA	NA
+PJ083432	PCCDYYY 	C42H51N7O13S2	925.2987	NA	PeJP	NA	NA
+PJ083433	DMMMMMH 	C35H59N9O10S5	925.2989	NA	PeJP	NA	NA
+MJ097852	Perdeacylwilfortrine; 26-Benzoyl, 1,2,6,8,9,14-hexa-Ac 	C45H51NO20	925.300443	NA	MeJP	NA	NA
+PJ083434	GSSCCNNNQ 	C31H51N13O16S2	925.3018	NA	PeJP	NA	NA
+PJ083435	SCCNNDDR 	C31H51N13O16S2	925.3019	NA	PeJP	NA	NA
+PJ083436	SCEMMYY 	C39H55N7O13S3	925.302	NA	PeJP	NA	NA
+PJ083437	SSCCCMHR 	C32H55N13O11S4	925.3027	NA	PeJP	NA	NA
+PJ083438	CCCQHFW 	C40H51N11O9S3	925.3034	NA	PeJP	NA	NA
+PJ083439	EEEEEMM 	C35H55N7O18S2	925.3045	NA	PeJP	NA	NA
+PJ083440	GNNNDDDY 	C35H47N11O19	925.305	NA	PeJP	NA	NA
+PJ083441	CCDDERW 	C36H51N11O14S2	925.3059	NA	PeJP	NA	NA
+PJ083442	SSCDDDER 	C32H51N11O19S	925.3084	NA	PeJP	NA	NA
+PJ083443	NDDDDFW 	C40H47N9O17	925.309	NA	PeJP	NA	NA
+PJ083444	PTCCCDER 	C33H55N11O14S3	925.3092	NA	PeJP	NA	NA
+PJ083445	SPCCDDMR 	C33H55N11O14S3	925.3093	NA	PeJP	NA	NA
+PJ083446	GCDEMWW 	C41H51N9O12S2	925.3099	NA	PeJP	NA	NA
+PJ083447	ACCCKMMH 	C34H59N11O9S5	925.3101	NA	PeJP	NA	NA
+PJ083448	GSSDDEMW 	C37H51N9O17S	925.3124	NA	PeJP	NA	NA
+PJ083449	GSPCDMMW 	C38H55N9O12S3	925.3133	NA	PeJP	NA	NA
+PJ083450	CNDDHHW 	C38H47N13O13S	925.3137	NA	PeJP	NA	NA
+PJ083451	GGCDDHHW 	C38H47N13O13S	925.3138	NA	PeJP	NA	NA
+PJ083452	GSSSSDEEE 	C33H51N9O22	925.3149	NA	PeJP	NA	NA
+PJ083453	GSNEEEMM 	C34H55N9O17S2	925.3158	NA	PeJP	NA	NA
+PJ083454	SSNDDDHH 	C34H47N13O18	925.3162	NA	PeJP	NA	NA
+PJ083455	GGSSDDDHH 	C34H47N13O18	925.3163	NA	PeJP	NA	NA
+PJ083456	GDDMYYY 	C42H51N7O15S	925.3164	NA	PeJP	NA	NA
+PJ083457	GPNDMMMM 	C35H59N9O12S4	925.3166	NA	PeJP	NA	NA
+PJ083458	GGGPDMMMM 	C35H59N9O12S4	925.3167	NA	PeJP	NA	NA
+PJ083459	SPCCNEHH 	C35H51N13O13S2	925.3171	NA	PeJP	NA	NA
+PJ083460	PCCMFYY 	C43H55N7O10S3	925.3173	NA	PeJP	NA	NA
+PJ083461	CMMMHHH 	C36H55N13O8S4	925.318	NA	PeJP	NA	NA
+PJ083462	DEEEEEF 	C38H51N7O20	925.3189	NA	PeJP	NA	NA
+PJ083463	SSSSCNNNN 	C31H51N13O18S	925.3196	NA	PeJP	NA	NA
+PJ083464	GCCNNEMR 	C32H55N13O13S3	925.3205	NA	PeJP	NA	NA
+PJ083465	GMMMMYY 	C40H59N7O10S4	925.3207	NA	PeJP	NA	NA
+PJ083466	SCCNQWW 	C40H51N11O11S2	925.3211	NA	PeJP	NA	NA
+PJ083467	SSSCNNEW 	C36H51N11O16S	925.3236	NA	PeJP	NA	NA
+PJ083468	GGGGGGSPCDY 	C36H51N11O16S	925.3237	NA	PeJP	NA	NA
+PJ083469	CNNQMMW 	C37H55N11O11S3	925.3245	NA	PeJP	NA	NA
+PJ083470	CDMWWW 	C45H51N9O9S2	925.3252	NA	PeJP	NA	NA
+PJ083471	SSSSSNNDE 	C32H51N11O21	925.3261	NA	PeJP	NA	NA
+PJ083472	GSDDDMMR 	C33H55N11O16S2	925.327	NA	PeJP	NA	NA
+PJ083473	SCNNYYY 	C41H51N9O14S	925.3276	NA	PeJP	NA	NA
+PJ083474	SSDDMWW 	C41H51N9O14S	925.3277	NA	PeJP	NA	NA
+PJ083475	GPCCEMMR 	C34H59N11O11S4	925.3279	NA	PeJP	NA	NA
+PJ083476	GCNNNMHH 	C34H51N15O12S2	925.3283	NA	PeJP	NA	NA
+PJ083477	GGGCNNMHH 	C34H51N15O12S2	925.3284	NA	PeJP	NA	NA
+PJ083478	PTCCMWW 	C42H55N9O9S3	925.3285	NA	PeJP	NA	NA
+PJ083479	SSPNDDEY 	C37H51N9O19	925.3301	NA	PeJP	NA	NA
+PJ083480	SSSSDEEW 	C37H51N9O19	925.3302	NA	PeJP	NA	NA
+PJ083481	SNEEMMW 	C38H55N9O14S2	925.331	NA	PeJP	NA	NA
+PJ083482	CEYYYW 	C46H51N7O12S	925.3317	NA	PeJP	NA	NA
+PJ083483	PCQMMMW 	C39H59N9O9S4	925.3319	NA	PeJP	NA	NA
+PJ083484	GSPCCHHW 	C39H51N13O10S2	925.3324	NA	PeJP	NA	NA
+PJ083485	SSSQEEEM 	C34H55N9O19S	925.3335	NA	PeJP	NA	NA
+PJ083486	SSDEYYY 	C42H51N7O17	925.3342	NA	PeJP	NA	NA
+PJ083487	QQEEMMM 	C35H59N9O14S3	925.3344	NA	PeJP	NA	NA
+PJ083488	GCNNNNQY 	C35H51N13O15S	925.3349	NA	PeJP	NA	NA
+PJ083489	SPCMYYY 	C43H55N7O12S2	925.335	NA	PeJP	NA	NA
+PJ083490	CCNNMRW 	C36H55N13O10S3	925.3357	NA	PeJP	NA	NA
+PJ083491	GGGGCCMRW 	C36H55N13O10S3	925.3358	NA	PeJP	NA	NA
+PJ083492	PEEEEMY 	C39H55N7O17S	925.3376	NA	PeJP	NA	NA
+PJ083493	SSCNNDMR 	C32H55N13O15S2	925.3382	NA	PeJP	NA	NA
+PJ083494	GGGGSSCDMR 	C32H55N13O15S2	925.3383	NA	PeJP	NA	NA
+PJ083495	STMMMYY 	C40H59N7O12S3	925.3384	NA	PeJP	NA	NA
+PJ083496	GSSSCNWW 	C40H51N11O13S	925.3389	NA	PeJP	NA	NA
+PJ083497	PCCCCNKR 	C33H59N13O10S4	925.3391	NA	PeJP	NA	NA
+PJ083498	CCCKHFW 	C41H55N11O8S3	925.3398	NA	PeJP	NA	NA
+PJ083499	GSSSSSNDW 	C36H51N11O18	925.3414	NA	PeJP	NA	NA
+PJ083500	SCDEMRW 	C37H55N11O13S2	925.3423	NA	PeJP	NA	NA
+PJ083501	DDEHHHH 	C37H47N15O14	925.3427	NA	PeJP	NA	NA
+PJ083502	GPCDYWW 	C45H51N9O11S	925.3429	NA	PeJP	NA	NA
+PJ083503	PCCMMRW 	C38H59N11O8S4	925.3431	NA	PeJP	NA	NA
+PJ083504	GSSTTCNQE 	C33H55N11O18S	925.3447	NA	PeJP	NA	NA
+PJ083505	SSSDDEMR 	C33H55N11O18S	925.3448	NA	PeJP	NA	NA
+PJ083506	GNEEEYW 	C41H51N9O16	925.3454	NA	PeJP	NA	NA
+PJ083507	NDEMMMR 	C34H59N11O13S3	925.3456	NA	PeJP	NA	NA
+PJ083508	GGGGGGATMMM 	C34H59N11O13S3	925.3457	NA	PeJP	NA	NA
+PJ083509	GSCDDHHR 	C34H51N15O14S	925.3461	NA	PeJP	NA	NA
+PJ083510	GSEMMWW 	C42H55N9O11S2	925.3463	NA	PeJP	NA	NA
+PJ083511	APCCCHHR 	C35H55N15O9S3	925.347	NA	PeJP	NA	NA
+PJ083512	GSSTEEMW 	C38H55N9O16S	925.3488	NA	PeJP	NA	NA
+PJ083513	GDDFFYY 	C46H51N7O14	925.3494	NA	PeJP	NA	NA
+PJ083514	AQEMMMW 	C39H59N9O11S3	925.3496	NA	PeJP	NA	NA
+PJ083515	GAAEMMMW 	C39H59N9O11S3	925.3497	NA	PeJP	NA	NA
+PJ083516	SNDMHHW 	C39H51N13O12S	925.3501	NA	PeJP	NA	NA
+PJ083517	PCCFFFY 	C47H55N7O9S2	925.3503	NA	PeJP	NA	NA
+PJ083518	GSSSTTEEE 	C34H55N9O21	925.3513	NA	PeJP	NA	NA
+PJ083519	SSSPTCCLE 	C35H59N9O16S2	925.3521	NA	PeJP	NA	NA
+PJ083520	GSDKEEMM 	C35H59N9O16S2	925.3522	NA	PeJP	NA	NA
+PJ083521	SSNNNNNY 	C35H51N13O17	925.3526	NA	PeJP	NA	NA
+PJ083522	GGGGGGGGGGSSY 	C35H51N13O17	925.3527	NA	PeJP	NA	NA
+PJ083523	GTEMYYY 	C43H55N7O14S	925.3528	NA	PeJP	NA	NA
+PJ083524	GPTQMMMM 	C36H63N9O11S4	925.353	NA	PeJP	NA	NA
+PJ083525	GSSCCQRW 	C36H55N13O12S2	925.3535	NA	PeJP	NA	NA
+PJ083526	GMMMFFY 	C44H59N7O9S3	925.3537	NA	PeJP	NA	NA
+PJ083527	GCNNFWW 	C44H51N11O10S	925.3541	NA	PeJP	NA	NA
+PJ083528	GGGCNFWW 	C44H51N11O10S	925.3542	NA	PeJP	NA	NA
+PJ083529	VEEEEEY 	C39H55N7O19	925.3553	NA	PeJP	NA	NA
+PJ083530	GSSSSCNER 	C32H55N13O17S	925.356	NA	PeJP	NA	NA
+PJ083531	SNNNEYW 	C40H51N11O15	925.3566	NA	PeJP	NA	NA
+PJ083532	GDDDRYW 	C40H51N11O15	925.3567	NA	PeJP	NA	NA
+PJ083533	CDDMMRR 	C33H59N13O12S3	925.3569	NA	PeJP	NA	NA
+PJ083534	SCCNKWW 	C41H55N11O10S2	925.3575	NA	PeJP	NA	NA
+PJ083535	SSSSNQMW 	C37H55N11O15S	925.36	NA	PeJP	NA	NA
+PJ083536	NEEYWW 	C45H51N9O13	925.3607	NA	PeJP	NA	NA
+PJ083537	GDMMMRW 	C38H59N11O10S3	925.3609	NA	PeJP	NA	NA
+PJ083538	SMMWWW 	C46H55N9O8S2	925.3615	NA	PeJP	NA	NA
+PJ083539	SSSSSSQQE 	C33H55N11O20	925.3625	NA	PeJP	NA	NA
+PJ083540	GSSEEMMR 	C34H59N11O15S2	925.3634	NA	PeJP	NA	NA
+PJ083541	GSSSSNNHH 	C34H51N15O16	925.3639	NA	PeJP	NA	NA
+PJ083542	SSTEMWW 	C42H55N9O13S	925.364	NA	PeJP	NA	NA
+PJ083543	GGAEEMFW 	C42H55N9O13S	925.3641	NA	PeJP	NA	NA
+PJ083544	GPTCMMMR 	C35H63N11O10S4	925.3643	NA	PeJP	NA	NA
+PJ083545	CNEMHHR 	C35H55N15O11S2	925.3647	NA	PeJP	NA	NA
+PJ083546	GGGGACCKHH 	C35H55N15O11S2	925.3648	NA	PeJP	NA	NA
+PJ083547	AAMMMWW 	C43H59N9O8S3	925.3649	NA	PeJP	NA	NA
+PJ083548	GTCHHWW 	C43H51N13O9S	925.3654	NA	PeJP	NA	NA
+MJ097853	Pepticinnamin; Pepticinnamin A 	C49H56ClN5O11	925.366485	NA	MeJP	NA	NA
+MJ097854	Pepticinnamin; Pepticinnamin B 	C49H56ClN5O11	925.366485	NA	MeJP	NA	NA
+PJ083549	SSSTTEEW 	C38H55N9O18	925.3665	NA	PeJP	NA	NA
+PJ083550	GGDKEEEY 	C38H55N9O18	925.3666	NA	PeJP	NA	NA
+PJ083551	SDKEMMW 	C39H59N9O13S2	925.3674	NA	PeJP	NA	NA
+PJ083552	GSSSEHHW 	C39H51N13O14	925.3679	NA	PeJP	NA	NA
+PJ083553	TMYYYW 	C47H55N7O11S	925.368	NA	PeJP	NA	NA
+PJ083554	APCFYYY 	C47H55N7O11S	925.3681	NA	PeJP	NA	NA
+PJ083555	PCKMMMW 	C40H63N9O8S4	925.3683	NA	PeJP	NA	NA
+PJ083556	VCNMHHW 	C40H55N13O9S2	925.3687	NA	PeJP	NA	NA
+PJ083557	GQMMHHW 	C40H55N13O9S2	925.3688	NA	PeJP	NA	NA
+PJ083558	SSSKEEEM 	C35H59N9O18S	925.3699	NA	PeJP	NA	NA
+PJ083559	STTEYYY 	C43H55N7O16	925.3705	NA	PeJP	NA	NA
+PJ083560	PPEEEYY 	C43H55N7O16	925.3706	NA	PeJP	NA	NA
+PJ083561	QKEEMMM 	C36H63N9O13S3	925.3708	NA	PeJP	NA	NA
+PJ083562	SSSSCNRW 	C36H55N13O14S	925.3712	NA	PeJP	NA	NA
+PJ083563	GGSSSSCRW 	C36H55N13O14S	925.3713	NA	PeJP	NA	NA
+PJ083564	GVMMYYY 	C44H59N7O11S2	925.3714	NA	PeJP	NA	NA
+PJ083565	GSNNYWW 	C44H51N11O12	925.3719	NA	PeJP	NA	NA
+PJ083566	CCCQKRW 	C37H59N13O9S3	925.3721	NA	PeJP	NA	NA
+PJ083567	NNMHHHH 	C37H51N17O10S	925.3726	NA	PeJP	NA	NA
+MJ097855	Altromycin A; N3'-Me 	C47H59NO18	925.373214	NA	MeJP	NA	NA
+PJ083568	SSSSSSNDR 	C32H55N13O19	925.3737	NA	PeJP	NA	NA
+PJ083569	GGSSSSSSDR 	C32H55N13O19	925.3738	NA	PeJP	NA	NA
+PJ083570	LEEEEMF 	C40H59N7O16S	925.3739	NA	PeJP	NA	NA
+PJ083571	SSSNNMMR 	C33H59N13O14S2	925.3746	NA	PeJP	NA	NA
+PJ083572	SPCDRYW 	C41H55N11O12S	925.3753	NA	PeJP	NA	NA
+PJ083573	GEYWWW 	C49H51N9O10	925.3759	NA	PeJP	NA	NA
+PJ083574	CCDHHRR 	C34H55N17O10S2	925.376	NA	PeJP	NA	NA
+PJ083575	GSSSSSTQW 	C37H55N11O17	925.3778	NA	PeJP	NA	NA
+PJ083576	SSEMMRW 	C38H59N11O12S2	925.3786	NA	PeJP	NA	NA
+PJ083577	GGGSTCKMW 	C38H59N11O12S2	925.3787	NA	PeJP	NA	NA
+PJ083578	NNNNQHW 	C38H51N15O13	925.3791	NA	PeJP	NA	NA
+PJ083579	GGGGGGGGGAHW 	C38H51N15O13	925.3792	NA	PeJP	NA	NA
+PJ083580	GSPMYWW 	C46H55N9O10S	925.3793	NA	PeJP	NA	NA
+PJ083581	GCMHHRW 	C39H55N15O8S2	925.38	NA	PeJP	NA	NA
+PJ083582	SSSTEEMR 	C34H59N11O17S	925.3811	NA	PeJP	NA	NA
+PJ083583	GGGSSSSKEM 	C34H59N11O17S	925.3812	NA	PeJP	NA	NA
+PJ083584	GDKEEYW 	C42H55N9O15	925.3818	NA	PeJP	NA	NA
+PJ083585	TQEMMMR 	C35H63N11O12S3	925.382	NA	PeJP	NA	NA
+PJ083586	GSSDMHHR 	C35H55N15O13S	925.3825	NA	PeJP	NA	NA
+PJ083587	ATTMMWW 	C43H59N9O10S2	925.3827	NA	PeJP	NA	NA
+PJ083588	SSSHHWW 	C43H51N13O11	925.3831	NA	PeJP	NA	NA
+PJ083589	GGGEHHFW 	C43H51N13O11	925.3832	NA	PeJP	NA	NA
+PJ083590	SSSSLEMW 	C39H59N9O15S	925.3852	NA	PeJP	NA	NA
+PJ083591	GPTYYYY 	C47H55N7O13	925.3858	NA	PeJP	NA	NA
+PJ083592	GGSSTCCRR 	C32H59N15O13S2	925.3859	NA	PeJP	NA	NA
+PJ083593	AKEMMMW 	C40H63N9O10S3	925.386	NA	PeJP	NA	NA
+PJ083594	GGGPVMMMF 	C40H63N9O10S3	925.3861	NA	PeJP	NA	NA
+PJ083595	GCNQRYW 	C40H55N13O11S	925.3865	NA	PeJP	NA	NA
+PJ083596	GMMFFFF 	C48H59N7O8S2	925.3867	NA	PeJP	NA	NA
+PJ083597	PDHWWW 	C48H51N11O9	925.3872	NA	PeJP	NA	NA
+PJ083598	SSSSSTLEE 	C35H59N9O20	925.3877	NA	PeJP	NA	NA
+PJ083599	GTTKEEMM 	C36H63N9O15S2	925.3885	NA	PeJP	NA	NA
+PJ083600	SDDDRRY 	C36H55N13O16	925.389	NA	PeJP	NA	NA
+PJ083601	GGGGGGGGGAPPE 	C36H55N13O16	925.3891	NA	PeJP	NA	NA
+PJ083602	SSLMYYY 	C44H59N7O13S	925.3892	NA	PeJP	NA	NA
+PJ083603	GPTKMMMM 	C37H67N9O10S4	925.3894	NA	PeJP	NA	NA
+PJ083604	GSSCCKRW 	C37H59N13O11S2	925.3899	NA	PeJP	NA	NA
+PJ083605	GSSQHHHH 	C37H51N17O12	925.3904	NA	PeJP	NA	NA
+PJ083606	CEFRWW 	C45H55N11O9S	925.3905	NA	PeJP	NA	NA
+PJ083607	YWWWW 	C53H51N9O7	925.3912	NA	PeJP	NA	NA
+PJ083608	GSSSSSQMR 	C33H59N13O16S	925.3924	NA	PeJP	NA	NA
+PJ083609	GSEERYW 	C41H55N11O14	925.393	NA	PeJP	NA	NA
+PJ083610	GGGGSPPPDW 	C41H55N11O14	925.3931	NA	PeJP	NA	NA
+PJ083611	SDMMMRR 	C34H63N13O11S3	925.3932	NA	PeJP	NA	NA
+PJ083612	GSCNKMMR 	C34H63N13O11S3	925.3933	NA	PeJP	NA	NA
+PJ083613	APCMRYW 	C42H59N11O9S2	925.3939	NA	PeJP	NA	NA
+PJ083614	PDHHHHF 	C42H51N15O10	925.3944	NA	PeJP	NA	NA
+PJ083615	AMFWWW 	C50H55N9O7S	925.3946	NA	PeJP	NA	NA
+PJ083616	SSSSNKMW 	C38H59N11O14S	925.3964	NA	PeJP	NA	NA
+PJ083617	SSPTYWW 	C46H55N9O12	925.397	NA	PeJP	NA	NA
+PJ083618	DKEYWW 	C46H55N9O12	925.3971	NA	PeJP	NA	NA
+PJ083619	ATMMMRW 	C39H63N11O9S3	925.3973	NA	PeJP	NA	NA
+PJ083620	STCHHRW 	C39H55N15O10S	925.3977	NA	PeJP	NA	NA
+PJ083621	GGPCNHRW 	C39H55N15O10S	925.3978	NA	PeJP	NA	NA
+PJ083622	NHHFWW 	C47H51N13O8	925.3984	NA	PeJP	NA	NA
+PJ083623	SSSSSSQKE 	C34H59N11O19	925.3989	NA	PeJP	NA	NA
+PJ083624	GTTTEMMR 	C35H63N11O14S2	925.3998	NA	PeJP	NA	NA
+PJ083625	SSSSEHHR 	C35H55N15O15	925.4002	NA	PeJP	NA	NA
+PJ083626	GGNQEEHR 	C35H55N15O15	925.4003	NA	PeJP	NA	NA
+PJ083627	TTTTMWW 	C43H59N9O12S	925.4004	NA	PeJP	NA	NA
+PJ083628	VQMMMMR 	C36H67N11O9S4	925.4006	NA	PeJP	NA	NA
+PJ083629	GGLMMMMR 	C36H67N11O9S4	925.4007	NA	PeJP	NA	NA
+PJ083630	TFFYYW 	C51H55N7O10	925.4011	NA	PeJP	NA	NA
+PJ083631	AMHHHFF 	C44H55N13O8S	925.4018	NA	PeJP	NA	NA
+PJ083632	STTTTTEW 	C39H59N9O17	925.4029	NA	PeJP	NA	NA
+PJ083633	GSSSSSCRR 	C32H59N15O15S	925.4036	NA	PeJP	NA	NA
+PJ083634	TTKEMMW 	C40H63N9O12S2	925.4038	NA	PeJP	NA	NA
+PJ083635	SSNNRYW 	C40H55N13O13	925.4043	NA	PeJP	NA	NA
+PJ083636	GVMFFYY 	C48H59N7O10S	925.4044	NA	PeJP	NA	NA
+PJ083637	GTCCCKRR 	C33H63N15O10S3	925.4045	NA	PeJP	NA	NA
+PJ083638	PPCMHRW 	C41H59N13O8S2	925.4051	NA	PeJP	NA	NA
+PJ083639	STTTKEEM 	C36H63N9O17S	925.4063	NA	PeJP	NA	NA
+PJ083640	PLEEEFY 	C44H59N7O15	925.407	NA	PeJP	NA	NA
+PJ083641	KKEEMMM 	C37H67N9O12S3	925.4072	NA	PeJP	NA	NA
+PJ083642	GDEMRRY 	C37H59N13O13S	925.4076	NA	PeJP	NA	NA
+PJ083643	GGGGGATMRY 	C37H59N13O13S	925.4077	NA	PeJP	NA	NA
+PJ083644	SERYWW 	C45H55N11O11	925.4083	NA	PeJP	NA	NA
+PJ083645	CCCKKRW 	C38H63N13O8S3	925.4085	NA	PeJP	NA	NA
+PJ083646	CQKHHHH 	C38H55N17O9S	925.409	NA	PeJP	NA	NA
+PJ083647	SSSSSSTQR 	C33H59N13O18	925.4101	NA	PeJP	NA	NA
+PJ083648	LLEEEMY 	C41H63N7O15S	925.4103	NA	PeJP	NA	NA
+PJ083649	SSSCQKMR 	C34H63N13O13S2	925.411	NA	PeJP	NA	NA
+PJ083650	NNDDHRR 	C34H55N17O14	925.4115	NA	PeJP	NA	NA
+PJ083651	SSPMRYW 	C42H59N11O11S	925.4116	NA	PeJP	NA	NA
+PJ083652	AAEMRYW 	C42H59N11O11S	925.4117	NA	PeJP	NA	NA
+PJ083653	AMMMMRR 	C35H67N13O8S4	925.4119	NA	PeJP	NA	NA
+PJ083654	SVYWWW 	C50H55N9O9	925.4123	NA	PeJP	NA	NA
+PJ083655	ASSSSSSKW 	C38H59N11O16	925.4141	NA	PeJP	NA	NA
+PJ083656	GSSSSSTKW 	C38H59N11O16	925.4142	NA	PeJP	NA	NA
+PJ083657	TTTMMRW 	C39H63N11O11S2	925.415	NA	PeJP	NA	NA
+PJ083658	GGGGAAKMMF 	C39H63N11O11S2	925.4151	NA	PeJP	NA	NA
+PJ083659	GNQEHRW 	C39H55N15O12	925.4155	NA	PeJP	NA	NA
+PJ083660	LQMYWW 	C47H59N9O9S	925.4157	NA	PeJP	NA	NA
+MJ097856	Liposidomycin; Liposidomycin Y-I, Desulfo 	C42H63N5O18	925.41681	NA	MeJP	NA	NA
+PJ083661	STTTTEMR 	C35H63N11O16S	925.4175	NA	PeJP	NA	NA
+PJ083662	ATKEEYW 	C43H59N9O14	925.4182	NA	PeJP	NA	NA
+PJ083663	TKEMMMR 	C36H67N11O11S3	925.4184	NA	PeJP	NA	NA
+PJ083664	SCNQRRY 	C36H59N15O12S	925.4189	NA	PeJP	NA	NA
+PJ083665	ALQMMFW 	C44H63N9O9S2	925.419	NA	PeJP	NA	NA
+PJ083666	APKMMYW 	C44H63N9O9S2	925.4191	NA	PeJP	NA	NA
+PJ083667	AAQQHWW 	C44H55N13O10	925.4195	NA	PeJP	NA	NA
+C15743	Cyanopeptolin S	C40H63N9O14S	925.4215	NA	KEGG	NA	NA
+PJ083668	SSTTTLMW 	C40H63N9O14S	925.4215	NA	PeJP	NA	NA
+MJ097857	Cyanopeptolin S 	C40H63N9O14S	925.421518	NA	MeJP	NA	NA
+PJ083669	VQKEEMY 	C40H63N9O14S	925.4216	NA	PeJP	NA	NA
+PJ083670	AALYYYY 	C48H59N7O12	925.4222	NA	PeJP	NA	NA
+PJ083671	SLKMMMW 	C41H67N9O9S3	925.4224	NA	PeJP	NA	NA
+PJ083672	DMRRYW 	C41H59N13O10S	925.4229	NA	PeJP	NA	NA
+PJ083673	GPPHFWW 	C49H55N11O8	925.4236	NA	PeJP	NA	NA
+PJ083674	SSSTTTTLE 	C36H63N9O19	925.424	NA	PeJP	NA	NA
+PJ083675	SSTLKEMM 	C37H67N9O14S2	925.4249	NA	PeJP	NA	NA
+PJ083676	SSEERRY 	C37H59N13O15	925.4254	NA	PeJP	NA	NA
+PJ083677	AALKMMMM 	C38H71N9O9S4	925.4258	NA	PeJP	NA	NA
+PJ083678	PTCMRRY 	C38H63N13O10S2	925.4263	NA	PeJP	NA	NA
+PJ083679	PNEHHHR 	C38H55N17O11	925.4267	NA	PeJP	NA	NA
+PJ083680	GGPEHHHR 	C38H55N17O11	925.4268	NA	PeJP	NA	NA
+PJ083681	CLRYWW 	C46H59N11O8S	925.4269	NA	PeJP	NA	NA
+PJ083682	GSSSSSKMR 	C34H63N13O15S	925.4288	NA	PeJP	NA	NA
+PJ083683	ATTERYW 	C42H59N11O13	925.4294	NA	PeJP	NA	NA
+PJ083684	TTMMMRR 	C35H67N13O10S3	925.4296	NA	PeJP	NA	NA
+PJ083685	GSPCNHRR 	C35H59N17O11S	925.4301	NA	PeJP	NA	NA
+PJ083686	GVMMFRW 	C43H63N11O8S2	925.4303	NA	PeJP	NA	NA
+PJ083687	NQHRWW 	C43H55N15O9	925.4308	NA	PeJP	NA	NA
+PJ083688	SSSTCKKW 	C39H63N11O13S	925.4328	NA	PeJP	NA	NA
+PJ083689	GTTLYWW 	C47H59N9O11	925.4334	NA	PeJP	NA	NA
+PJ083690	GGALEFFW 	C47H59N9O11	925.4335	NA	PeJP	NA	NA
+PJ083691	CCKKKMW 	C40H67N11O8S3	925.4337	NA	PeJP	NA	NA
+PJ083692	AQMHHFR 	C40H59N15O9S	925.4341	NA	PeJP	NA	NA
+PJ083693	SSSSSSKKE 	C35H63N11O18	925.4353	NA	PeJP	NA	NA
+PJ083694	SSTTLMMR 	C36H67N11O13S2	925.4362	NA	PeJP	NA	NA
+PJ083695	GSSSNRRY 	C36H59N15O14	925.4366	NA	PeJP	NA	NA
+PJ083696	GGGPPDDRR 	C36H59N15O14	925.4367	NA	PeJP	NA	NA
+PJ083697	GLKEMYW 	C44H63N9O11S	925.4368	NA	PeJP	NA	NA
+PJ083698	VKMMMMR 	C37H71N11O8S4	925.437	NA	PeJP	NA	NA
+PJ083699	GVFFFFY 	C52H59N7O9	925.4375	NA	PeJP	NA	NA
+PJ083700	TKKEEEY 	C40H63N9O16	925.4393	NA	PeJP	NA	NA
+PJ083701	PKKEMMY 	C41H67N9O11S2	925.4402	NA	PeJP	NA	NA
+PJ083702	PTTEHRW 	C41H59N13O12	925.4406	NA	PeJP	NA	NA
+PJ083703	GLEEHRW 	C41H59N13O12	925.4407	NA	PeJP	NA	NA
+PJ083704	MMFRRW 	C42H63N13O7S2	925.4415	NA	PeJP	NA	NA
+PJ083705	GPHHHRW 	C42H55N17O8	925.442	NA	PeJP	NA	NA
+PJ083706	SSSSTTLLM 	C37H67N9O16S	925.4427	NA	PeJP	NA	NA
+PJ083707	PLLEEYY 	C45H63N7O14	925.4433	NA	PeJP	NA	NA
+PJ083708	ATTLKMMM 	C38H71N9O11S3	925.4436	NA	PeJP	NA	NA
+PJ083709	ATEMRRY 	C38H63N13O12S	925.444	NA	PeJP	NA	NA
+PJ083710	GGGGGGALLMH 	C38H63N13O12S	925.4441	NA	PeJP	NA	NA
+PJ083711	GVLEHWW 	C46H59N11O10	925.4447	NA	PeJP	NA	NA
+PJ083712	ACHHFRR 	C39H59N17O8S	925.4454	NA	PeJP	NA	NA
+PJ083713	SSSSSSTKR 	C34H63N13O17	925.4465	NA	PeJP	NA	NA
+PJ083714	SSSCKKMR 	C35H67N13O12S2	925.4474	NA	PeJP	NA	NA
+PJ083715	SNQEHRR 	C35H59N17O13	925.4479	NA	PeJP	NA	NA
+PJ083716	GTLMRYW 	C43H63N11O10S	925.448	NA	PeJP	NA	NA
+PJ083717	GGGKKMYW 	C43H63N11O10S	925.4481	NA	PeJP	NA	NA
+PJ083718	PKFYWW 	C51H59N9O8	925.4487	NA	PeJP	NA	NA
+PJ083719	TTKEERY 	C39H63N11O15	925.4505	NA	PeJP	NA	NA
+PJ083720	GGGSTKKEY 	C39H63N11O15	925.4506	NA	PeJP	NA	NA
+PJ083721	PTKMMRY 	C40H67N11O10S2	925.4514	NA	PeJP	NA	NA
+PJ083722	GNKEHRW 	C40H59N15O11	925.4519	NA	PeJP	NA	NA
+PJ083723	LKMYWW 	C48H63N9O8S	925.4521	NA	PeJP	NA	NA
+PJ083724	GSSSTTKKM 	C36H67N11O15S	925.4539	NA	PeJP	NA	NA
+PJ083725	STLKEYW 	C44H63N9O13	925.4546	NA	PeJP	NA	NA
+PJ083726	GTCKKKMM 	C37H71N11O10S3	925.4548	NA	PeJP	NA	NA
+PJ083727	SCNKRRY 	C37H63N15O11S	925.4552	NA	PeJP	NA	NA
+PJ083728	GGSCKRRY 	C37H63N15O11S	925.4553	NA	PeJP	NA	NA
+PJ083729	ALKMMFW 	C45H67N9O8S2	925.4554	NA	PeJP	NA	NA
+PJ083730	LEHRWW 	C45H59N13O9	925.4559	NA	PeJP	NA	NA
+PJ083731	VKKEEMY 	C41H67N9O13S	925.4579	NA	PeJP	NA	NA
+PJ083732	PPPVKEEM 	C41H67N9O13S	925.458	NA	PeJP	NA	NA
+PJ083733	SPLMHRW 	C42H63N13O9S	925.4593	NA	PeJP	NA	NA
+PJ083734	VLHWWW 	C50H59N11O7	925.4599	NA	PeJP	NA	NA
+PJ083735	STTTTTTTL 	C37H67N9O18	925.4604	NA	PeJP	NA	NA
+PJ083736	TTTTLKMM 	C38H71N9O13S2	925.4613	NA	PeJP	NA	NA
+PJ083737	TTTERRY 	C38H63N13O14	925.4618	NA	PeJP	NA	NA
+PJ083738	GLMMRRY 	C39H67N13O9S2	925.4627	NA	PeJP	NA	NA
+PJ083739	GSQHRRW 	C39H59N17O10	925.4631	NA	PeJP	NA	NA
+PJ083740	STTLRYW 	C43H63N11O12	925.4658	NA	PeJP	NA	NA
+PJ083741	AQQMHRR 	C36H63N17O10S	925.4665	NA	PeJP	NA	NA
+PJ083742	NKHRWW 	C44H59N15O8	925.4671	NA	PeJP	NA	NA
+PJ083743	GGKHRWW 	C44H59N15O8	925.4672	NA	PeJP	NA	NA
+PJ083744	SLKEMRY 	C40H67N11O12S	925.4692	NA	PeJP	NA	NA
+PJ083745	PPVLEWW 	C48H63N9O10	925.4698	NA	PeJP	NA	NA
+PJ083746	AKMHHFR 	C41H63N15O8S	925.4705	NA	PeJP	NA	NA
+PJ083747	SSSSTTTKK 	C36H67N11O17	925.4717	NA	PeJP	NA	NA
+PJ083748	SSSKKKMM 	C37H71N11O12S2	925.4725	NA	PeJP	NA	NA
+PJ083749	SLEEHRR 	C37H63N15O13	925.473	NA	PeJP	NA	NA
+PJ083750	GGGGGGGAAPLR 	C37H63N15O13	925.4731	NA	PeJP	NA	NA
+PJ083751	SVLKMYW 	C45H67N9O10S	925.4732	NA	PeJP	NA	NA
+PJ083752	PVMMHRR 	C38H67N15O8S2	925.4739	NA	PeJP	NA	NA
+PJ083753	SPHHHRR 	C38H59N19O9	925.4744	NA	PeJP	NA	NA
+PJ083754	SSSLLKEY 	C41H67N9O15	925.4757	NA	PeJP	NA	NA
+PJ083755	LLQKMMY 	C42H71N9O10S2	925.4766	NA	PeJP	NA	NA
+PJ083756	SVLEHRW 	C42H63N13O11	925.477	NA	PeJP	NA	NA
+PJ083757	GGPPKERW 	C42H63N13O11	925.4771	NA	PeJP	NA	NA
+PJ083758	GNMHRRR 	C35H63N19O9S	925.4777	NA	PeJP	NA	NA
+PJ083759	LLLEEFY 	C46H67N7O13	925.4797	NA	PeJP	NA	NA
+PJ083760	STLMRRY 	C39H67N13O11S	925.4804	NA	PeJP	NA	NA
+PJ083761	ATLLHWW 	C47H63N11O9	925.4811	NA	PeJP	NA	NA
+PJ083762	TTQQHRR 	C36H63N17O12	925.4842	NA	PeJP	NA	NA
+PJ083763	SNKEHRR 	C36H63N17O12	925.4843	NA	PeJP	NA	NA
+PJ083764	ACKKKYW 	C44H67N11O9S	925.4844	NA	PeJP	NA	NA
+PJ083765	LKFFWW 	C52H63N9O7	925.4851	NA	PeJP	NA	NA
+PJ083766	SSSTLLRY 	C40H67N11O14	925.4869	NA	PeJP	NA	NA
+PJ083767	GAAPPKKEE 	C40H67N11O14	925.487	NA	PeJP	NA	NA
+PJ083768	VVKMMRY 	C41H71N11O9S2	925.4878	NA	PeJP	NA	NA
+PJ083769	SPPQRRW 	C41H63N15O10	925.4883	NA	PeJP	NA	NA
+PJ083770	VLLQQYY 	C45H67N9O12	925.4909	NA	PeJP	NA	NA
+PJ083771	APPTLLEW 	C45H67N9O12	925.491	NA	PeJP	NA	NA
+PJ083772	CLLEHRR 	C38H67N15O10S	925.4916	NA	PeJP	NA	NA
+PJ083773	VVEMHRR 	C38H67N15O10S	925.4917	NA	PeJP	NA	NA
+PJ083774	GPPKRWW 	C46H63N13O8	925.4923	NA	PeJP	NA	NA
+PJ083775	GTTLLKMY 	C42H71N9O12S	925.4943	NA	PeJP	NA	NA
+PJ083776	SSQHRRR 	C35H63N19O11	925.4955	NA	PeJP	NA	NA
+PJ083777	ALLMHRW 	C43H67N13O8S	925.4957	NA	PeJP	NA	NA
+PJ083778	GSSTKKRY 	C39H67N13O13	925.4982	NA	PeJP	NA	NA
+PJ083779	GSKHRRW 	C40H63N17O9	925.4995	NA	PeJP	NA	NA
+PJ083780	SSKKKYW 	C44H67N11O11	925.5022	NA	PeJP	NA	NA
+PJ083781	PPNMRRR 	C37H67N17O9S	925.5029	NA	PeJP	NA	NA
+MJ097858	Amphotericin B; 28,29-Dihydro 	C47H75NO17	925.503499	NA	MeJP	NA	NA
+MJ097859	Nystatin; Nystatin A1 	C47H75NO17	925.503499	NA	MeJP	NA	NA
+C06572	Nystatin	C47H75NO17	925.5035	NA	KEGG	NA	NA
+C12155	Nystatin A1	C47H75NO17	925.5035	NA	KEGG	NA	NA
+PJ083782	TQKKKMY 	C41H71N11O11S	925.5056	NA	PeJP	NA	NA
+PJ083783	GLLKFYW 	C49H67N9O9	925.5062	NA	PeJP	NA	NA
+PJ083784	GSPPKERR 	C38H67N15O12	925.5094	NA	PeJP	NA	NA
+PJ083785	GPPLLLMW 	C46H71N9O9S	925.5096	NA	PeJP	NA	NA
+PJ083786	ALHHHRR 	C39H63N19O8	925.5107	NA	PeJP	NA	NA
+PJ083787	STTTLLKY 	C42H71N9O14	925.5121	NA	PeJP	NA	NA
+PJ083788	LLKKMMY 	C43H75N9O9S2	925.513	NA	PeJP	NA	NA
+PJ083789	TTLLHRW 	C43H67N13O10	925.5134	NA	PeJP	NA	NA
+PJ083790	ACKHRRR 	C36H67N19O8S	925.5141	NA	PeJP	NA	NA
+PJ083791	LLLLEYY 	C47H71N7O12	925.5161	NA	PeJP	NA	NA
+PJ083792	TCKKKRY 	C40H71N13O10S	925.5168	NA	PeJP	NA	NA
+PJ083793	PVLKHFW 	C48H67N11O8	925.5175	NA	PeJP	NA	NA
+PJ083794	PVNERRR 	C37H67N17O11	925.5206	NA	PeJP	NA	NA
+PJ083795	GGPVERRR 	C37H67N17O11	925.5207	NA	PeJP	NA	NA
+PJ083796	VLLKMHW 	C45H71N11O8S	925.5208	NA	PeJP	NA	NA
+PJ083797	GTTTKKKY 	C41H71N11O13	925.5233	NA	PeJP	NA	NA
+PJ083798	SPPKRRW 	C42H67N15O9	925.5247	NA	PeJP	NA	NA
+PJ083799	SPPTLLLW 	C46H71N9O11	925.5273	NA	PeJP	NA	NA
+PJ083800	GPVLLLEW 	C46H71N9O11	925.5274	NA	PeJP	NA	NA
+PJ083801	TLLMHRR 	C39H71N15O9S	925.528	NA	PeJP	NA	NA
+PJ083802	PPVLLKEM 	C43H75N9O11S	925.5307	NA	PeJP	NA	NA
+PJ083803	GPERRRR 	C36H67N19O10	925.5319	NA	PeJP	NA	NA
+PJ083804	SPPTLQKR 	C40H71N13O12	925.5345	NA	PeJP	NA	NA
+PJ083805	SSTLLLHR 	C40H71N13O12	925.5346	NA	PeJP	NA	NA
+PJ083806	GPVRRRW 	C41H67N17O8	925.5359	NA	PeJP	NA	NA
+PJ083807	PLLLERW 	C45H71N11O10	925.5386	NA	PeJP	NA	NA
+PJ083808	AKKMHRR 	C38H71N17O8S	925.5393	NA	PeJP	NA	NA
+PJ083809	TKKKKMY 	C42H75N11O10S	925.5419	NA	PeJP	NA	NA
+PJ083810	SPPLLLMR 	C42H75N11O10S	925.542	NA	PeJP	NA	NA
+PJ083811	PVLLLWW 	C50H71N9O8	925.5426	NA	PeJP	NA	NA
+PJ083812	PLQKERR 	C39H71N15O11	925.5458	NA	PeJP	NA	NA
+PJ083813	LLKKMFF 	C47H75N9O8S	925.546	NA	PeJP	NA	NA
+PJ083814	PRRRRW 	C40H67N19O7	925.5471	NA	PeJP	NA	NA
+PJ083815	PVVLLKEE 	C43H75N9O13	925.5485	NA	PeJP	NA	NA
+PJ083816	PVLQKRW 	C44H71N13O9	925.5498	NA	PeJP	NA	NA
+PJ083817	GPPLKKMR 	C41H75N13O9S	925.5532	NA	PeJP	NA	NA
+PJ083818	PVDKRRR 	C38H71N17O10	925.557	NA	PeJP	NA	NA
+PJ083819	SPVLLLER 	C42H75N11O12	925.5597	NA	PeJP	NA	NA
+PJ083820	VVLHFRR 	C43H71N15O8	925.561	NA	PeJP	NA	NA
+PJ083821	APLKRRW 	C43H71N15O8	925.5611	NA	PeJP	NA	NA
+PJ083822	APTLLLLW 	C47H75N9O10	925.5637	NA	PeJP	NA	NA
+PJ083823	VKKKMHR 	C40H75N15O8S	925.5644	NA	PeJP	NA	NA
+PJ083824	PVLLLLQM 	C44H79N9O10S	925.5671	NA	PeJP	NA	NA
+PJ083825	SPVRRRR 	C37H71N19O9	925.5683	NA	PeJP	NA	NA
+PJ083826	SPPTLKKR 	C41H75N13O11	925.5709	NA	PeJP	NA	NA
+PJ083827	GPVLKKER 	C41H75N13O11	925.571	NA	PeJP	NA	NA
+PJ083828	AAPLLKKW 	C46H75N11O9	925.575	NA	PeJP	NA	NA
+PJ083829	APLLLLMR 	C43H79N11O9S	925.5783	NA	PeJP	NA	NA
+PJ083830	PLKKERR 	C40H75N15O10	925.5822	NA	PeJP	NA	NA
+PJ083831	PTLLLLKE 	C44H79N9O12	925.5849	NA	PeJP	NA	NA
+PJ083832	PVLKKRW 	C45H75N13O8	925.5862	NA	PeJP	NA	NA
+PJ083833	PTLKRRR 	C39H75N17O9	925.5934	NA	PeJP	NA	NA
+PJ083834	GLLLLLER 	C43H79N11O11	925.5961	NA	PeJP	NA	NA
+PJ083835	GVLLLLLW 	C48H79N9O9	925.6001	NA	PeJP	NA	NA
+PJ083836	PVLLLLKM 	C45H83N9O9S	925.6035	NA	PeJP	NA	NA
+PJ083837	AVLRRRR 	C38H75N19O8	925.6046	NA	PeJP	NA	NA
+PJ083838	GLLRRRR 	C38H75N19O8	925.6047	NA	PeJP	NA	NA
+PJ083839	APTLLKKR 	C42H79N13O10	925.6073	NA	PeJP	NA	NA
+PJ083840	LLLLLRW 	C47H79N11O8	925.6113	NA	PeJP	NA	NA
+MJ097860	Dunaimycin D2S 	C50H87NO14	925.612656	NA	MeJP	NA	NA
+PJ083841	LLLQKRR 	C41H79N15O9	925.6186	NA	PeJP	NA	NA
+PJ083842	TLLLLLLQ 	C45H83N9O11	925.6212	NA	PeJP	NA	NA
+PJ083843	VVLLLLKE 	C45H83N9O11	925.6213	NA	PeJP	NA	NA
+PJ083844	VVLKRRR 	C40H79N17O8	925.6298	NA	PeJP	NA	NA
+PJ083845	SVLLLLLR 	C44H83N11O10	925.6325	NA	PeJP	NA	NA
+PJ083846	GVLLLKKR 	C43H83N13O9	925.6437	NA	PeJP	NA	NA
+PJ083847	LLLKKRR 	C42H83N15O8	925.6549	NA	PeJP	NA	NA
+PJ083848	TLLLLLLK 	C46H87N9O10	925.6576	NA	PeJP	NA	NA
+PJ083849	ALLLLKKK 	C45H87N11O9	925.6689	NA	PeJP	NA	NA
+HMDB08585	PC(22:1(13Z)/24:1(15Z))	C54H104NO8P	925.749939	NA	HMDB2010	NA	NA
+HMDB08617	PC(22:2(13Z,16Z)/24:0)	C54H104NO8P	925.749939	NA	HMDB2010	NA	NA
+HMDB08777	PC(24:0/22:2(13Z,16Z))	C54H104NO8P	925.749939	NA	HMDB2010	NA	NA
+HMDB08809	PC(24:1(15Z)/22:1(13Z))	C54H104NO8P	925.749939	NA	HMDB2010	NA	NA
+2943	NA	FGGFTGARKSARKLDNQ	925.97685	MH2+	Inhouse_peptide	NA	peptide
+3936	aurein 3,1	GLFDIVKKIAGHIAGGSIG	926.01995	MH2+	Inhouse_peptide	NA	peptide
+MJ097861	Pelargoniin A 	C40H30O26	926.102531	NA	MeJP	NA	NA
+MJ097862	Phyllanthusiin C 	C40H30O26	926.102531	NA	MeJP	NA	NA
+PJ083850	CCCCCDDY 	C32H46N8O14S5	926.1737	NA	PeJP	NA	NA
+PJ083851	CCCCCMMM 	C30H54N8O9S8	926.178	NA	PeJP	NA	NA
+PJ083852	CCCCCDMF 	C33H50N8O11S6	926.1924	NA	PeJP	NA	NA
+PJ083853	CCCCDDEH 	C31H46N10O15S4	926.2027	NA	PeJP	NA	NA
+PJ083854	CDDDDDDD 	C31H42N8O23S	926.2084	NA	PeJP	NA	NA
+PJ083855	SCCCCDMY 	C33H50N8O13S5	926.2101	NA	PeJP	NA	NA
+PJ083856	ACCCCMMY 	C34H54N8O10S6	926.2288	NA	PeJP	NA	NA
+PJ083857	CCCCNNMH 	C31H50N12O11S5	926.2326	NA	PeJP	NA	NA
+PJ083858	CCNNDDDE 	C31H46N10O19S2	926.2383	NA	PeJP	NA	NA
+PJ083859	SCCCDEMH 	C32H50N10O14S4	926.2391	NA	PeJP	NA	NA
+PJ083860	PCCCCMMH 	C33H54N10O9S6	926.24	NA	PeJP	NA	NA
+PJ083861	GCCCCEFY 	C37H50N8O12S4	926.2431	NA	PeJP	NA	NA
+PJ083862	SDDDDDDM 	C32H46N8O22S	926.2448	NA	PeJP	NA	NA
+PJ083863	PCCDDDEM 	C33H50N8O17S3	926.2457	NA	PeJP	NA	NA
+PJ083864	SSCCCMMY 	C34H54N8O12S5	926.2465	NA	PeJP	NA	NA
+PJ083865	GSSCCCCQH 	C31H50N12O13S4	926.2504	NA	PeJP	NA	NA
+PJ083866	GCCNDDDW 	C35H46N10O16S2	926.2535	NA	PeJP	NA	NA
+PJ083867	PCCCCDHF 	C36H50N10O11S4	926.2544	NA	PeJP	NA	NA
+PJ083868	GSSCNDDDD 	C31H46N10O21S	926.256	NA	PeJP	NA	NA
+PJ083869	GSPCCCNDE 	C32H50N10O16S3	926.2569	NA	PeJP	NA	NA
+PJ083870	GCCDMMMH 	C33H54N10O11S5	926.2578	NA	PeJP	NA	NA
+PJ083871	CCCCFYW 	C41H50N8O9S4	926.2584	NA	PeJP	NA	NA
+PJ083872	GSCCCEYY 	C37H50N8O14S3	926.2609	NA	PeJP	NA	NA
+PJ083873	ACCCCMFF 	C38H54N8O9S5	926.2618	NA	PeJP	NA	NA
+MJ097863	Sucrose; 1',3',6,6'-Tetrakis-O-(4-hydroxy-E-cinnamoyl) 	C48H46O19	926.263329	NA	MeJP	NA	NA
+PJ083874	GDDDDEMM 	C33H50N8O19S2	926.2634	NA	PeJP	NA	NA
+PJ083875	SSSSCCCNH 	C31H50N12O15S3	926.2681	NA	PeJP	NA	NA
+PJ083876	CCCCCQKH 	C32H54N12O10S5	926.269	NA	PeJP	NA	NA
+PJ083877	SPCCCNDW 	C36H50N10O13S3	926.2721	NA	PeJP	NA	NA
+PJ083878	SCNNDDEM 	C32H50N10O18S2	926.2746	NA	PeJP	NA	NA
+PJ083879	GGGGSCDDEM 	C32H50N10O18S2	926.2747	NA	PeJP	NA	NA
+PJ083880	SSCCEMMH 	C33H54N10O13S4	926.2755	NA	PeJP	NA	NA
+PJ083881	SCCCYYW 	C41H50N8O11S3	926.2761	NA	PeJP	NA	NA
+PJ083882	GCCCMHHH 	C34H50N14O9S4	926.2769	NA	PeJP	NA	NA
+PJ083883	GDDDDDEF 	C36H46N8O21	926.2778	NA	PeJP	NA	NA
+PJ083884	SSSCCDYY 	C37H50N8O16S2	926.2786	NA	PeJP	NA	NA
+PJ083885	DDDDMMW 	C37H50N8O16S2	926.2787	NA	PeJP	NA	NA
+PJ083886	CCNMMYY 	C38H54N8O11S4	926.2795	NA	PeJP	NA	NA
+PJ083887	SSDDDEEM 	C33H50N8O21S	926.2812	NA	PeJP	NA	NA
+PJ083888	SPCDDEMM 	C34H54N8O16S3	926.282	NA	PeJP	NA	NA
+PJ083889	GCDDDEHH 	C34H46N12O17S	926.2825	NA	PeJP	NA	NA
+PJ083890	PPCCDMMM 	C35H58N8O11S5	926.2829	NA	PeJP	NA	NA
+PJ083891	GCCCNNQW 	C35H50N12O12S3	926.2834	NA	PeJP	NA	NA
+PJ083892	SCCNDDDR 	C31H50N12O17S2	926.2859	NA	PeJP	NA	NA
+PJ083893	PCCCCNER 	C32H54N12O12S4	926.2867	NA	PeJP	NA	NA
+PJ083894	GAPCCCCDR 	C32H54N12O12S4	926.2868	NA	PeJP	NA	NA
+PJ083895	CCCEHFW 	C40H50N10O10S3	926.2874	NA	PeJP	NA	NA
+PJ083896	GNNDDDDY 	C35H46N10O20	926.289	NA	PeJP	NA	NA
+PJ083897	GSCNDDMW 	C36H50N10O15S2	926.2899	NA	PeJP	NA	NA
+PJ083898	GPCCCQMW 	C37H54N10O10S4	926.2908	NA	PeJP	NA	NA
+PJ083899	GSSSNDDDM 	C32H50N10O20S	926.2924	NA	PeJP	NA	NA
+PJ083900	DDDDDFW 	C40H46N8O18	926.2931	NA	PeJP	NA	NA
+PJ083901	GNNDDMMM 	C33H54N10O15S3	926.2933	NA	PeJP	NA	NA
+PJ083902	CCNDFYY 	C41H50N8O13S2	926.2939	NA	PeJP	NA	NA
+PJ083903	GSCMMMMH 	C34H58N10O10S5	926.2941	NA	PeJP	NA	NA
+PJ083904	STCCCHHH 	C34H50N14O11S3	926.2946	NA	PeJP	NA	NA
+PJ083905	GPDDDDMY 	C37H50N8O18S	926.2964	NA	PeJP	NA	NA
+PJ083906	GSTCCMYY 	C38H54N8O13S3	926.2973	NA	PeJP	NA	NA
+PJ083907	CDDDHHW 	C38H46N12O14S	926.2978	NA	PeJP	NA	NA
+PJ083908	GSDEEEMM 	C34H54N8O18S2	926.2998	NA	PeJP	NA	NA
+PJ083909	SSDDDDHH 	C34H46N12O19	926.3003	NA	PeJP	NA	NA
+PJ083910	GPDDMMMM 	C35H58N8O13S4	926.3007	NA	PeJP	NA	NA
+PJ083911	SSCCNNNW 	C35H50N12O14S2	926.3011	NA	PeJP	NA	NA
+PJ083912	GPCCCCRW 	C36H54N12O9S4	926.302	NA	PeJP	NA	NA
+PJ083913	SSSSCNNND 	C31H50N12O19S	926.3036	NA	PeJP	NA	NA
+PJ083914	GCCNDEMR 	C32H54N12O14S3	926.3045	NA	PeJP	NA	NA
+PJ083915	SCCNEWW 	C40H50N10O12S2	926.3051	NA	PeJP	NA	NA
+PJ083916	GGSCCEWW 	C40H50N10O12S2	926.3052	NA	PeJP	NA	NA
+PJ083917	CCCCCKKH 	C33H58N12O9S5	926.3054	NA	PeJP	NA	NA
+MJ097864	Jaspolyanoside; 3''-Hydroxy, 6'-deacyl, 2'-acyl 	C42H54O23	926.305588	NA	MeJP	NA	NA
+MJ097865	Jaspolyanoside; 3''-Hydroxy, 6'-deacyl, 3'-acyl 	C42H54O23	926.305588	NA	MeJP	NA	NA
+MJ097866	Jaspolyanoside; 3''-Hydroxy, 6'-deacyl, 4'-acyl 	C42H54O23	926.305588	NA	MeJP	NA	NA
+MJ097867	Jaspolyoside 	C42H54O23	926.305588	NA	MeJP	NA	NA
+PJ083918	SSSCNDEW 	C36H50N10O17S	926.3076	NA	PeJP	NA	NA
+PJ083919	GGSSTCDDW 	C36H50N10O17S	926.3077	NA	PeJP	NA	NA
+PJ083920	CNNEMMW 	C37H54N10O12S3	926.3085	NA	PeJP	NA	NA
+PJ083921	SSSSSNDDE 	C32H50N10O22	926.3101	NA	PeJP	NA	NA
+PJ083922	GGSSSSSDDE 	C32H50N10O22	926.3102	NA	PeJP	NA	NA
+PJ083923	SSNNDEMM 	C33H54N10O17S2	926.311	NA	PeJP	NA	NA
+PJ083924	SCNDYYY 	C41H50N8O15S	926.3116	NA	PeJP	NA	NA
+PJ083925	PCDDEYW 	C41H50N8O15S	926.3117	NA	PeJP	NA	NA
+PJ083926	SSTCMMMH 	C34H58N10O12S4	926.3119	NA	PeJP	NA	NA
+PJ083927	GCNNDMHH 	C34H50N14O13S2	926.3124	NA	PeJP	NA	NA
+PJ083928	CCNMFFY 	C42H54N8O10S3	926.3125	NA	PeJP	NA	NA
+PJ083929	NDEEEEY 	C37H50N8O20	926.3142	NA	PeJP	NA	NA
+PJ083930	SDEEMMW 	C38H54N8O15S2	926.315	NA	PeJP	NA	NA
+PJ083931	GPDDDMMF 	C38H54N8O15S2	926.3151	NA	PeJP	NA	NA
+PJ083932	GCCCDDRR 	C31H54N14O13S3	926.3157	NA	PeJP	NA	NA
+PJ083933	GGGGGGTCCCR 	C31H54N14O13S3	926.3158	NA	PeJP	NA	NA
+PJ083934	PCEMMMW 	C39H58N8O10S4	926.3159	NA	PeJP	NA	NA
+PJ083935	SSSEEEEM 	C34H54N8O20S	926.3175	NA	PeJP	NA	NA
+PJ083936	QEEEMMM 	C35H58N8O15S3	926.3184	NA	PeJP	NA	NA
+PJ083937	GCNNNNEY 	C35H50N12O16S	926.3189	NA	PeJP	NA	NA
+PJ083938	SPPCMMMM 	C36H62N8O10S5	926.3193	NA	PeJP	NA	NA
+PJ083939	CCNDMRW 	C36H54N12O11S3	926.3197	NA	PeJP	NA	NA
+PJ083940	GGCCDMRW 	C36H54N12O11S3	926.3198	NA	PeJP	NA	NA
+PJ083941	GSCCWWW 	C44H50N10O9S2	926.3204	NA	PeJP	NA	NA
+PJ083942	GSSSCNNQM 	C32H54N12O16S2	926.3222	NA	PeJP	NA	NA
+PJ083943	SSCNDDMR 	C32H54N12O16S2	926.3223	NA	PeJP	NA	NA
+PJ083944	GSSSCDWW 	C40H50N10O14S	926.3229	NA	PeJP	NA	NA
+PJ083945	SPCCCQMR 	C33H58N12O11S4	926.3231	NA	PeJP	NA	NA
+PJ083946	GCNMMWW 	C41H54N10O9S3	926.3238	NA	PeJP	NA	NA
+PJ083947	GSSSSSDDW 	C36H50N10O19	926.3254	NA	PeJP	NA	NA
+PJ083948	GSSNDMMW 	C37H54N10O14S2	926.3263	NA	PeJP	NA	NA
+PJ083949	CQMMMHF 	C38H58N10O9S4	926.3271	NA	PeJP	NA	NA
+PJ083950	GPCCCKMW 	C38H58N10O9S4	926.3272	NA	PeJP	NA	NA
+PJ083951	CCNQHHW 	C38H50N14O10S2	926.3276	NA	PeJP	NA	NA
+PJ083952	GSSSSNEEM 	C33H54N10O19S	926.3288	NA	PeJP	NA	NA
+PJ083953	GDEEEYW 	C41H50N8O17	926.3294	NA	PeJP	NA	NA
+PJ083954	DDEMMMR 	C34H58N10O14S3	926.3296	NA	PeJP	NA	NA
+PJ083955	GGGGGTEMMM 	C34H58N10O14S3	926.3297	NA	PeJP	NA	NA
+PJ083956	SSCNNEHH 	C34H50N14O15S	926.3301	NA	PeJP	NA	NA
+PJ083957	GGGGGGGGPCDH 	C34H50N14O15S	926.3302	NA	PeJP	NA	NA
+PJ083958	PCDEMFW 	C42H54N8O12S2	926.3303	NA	PeJP	NA	NA
+PJ083959	GSPDEEMY 	C38H54N8O17S	926.3328	NA	PeJP	NA	NA
+PJ083960	GSSSCCNNR 	C31H54N14O15S2	926.3335	NA	PeJP	NA	NA
+PJ083961	AEEMMMW 	C39H58N8O12S3	926.3337	NA	PeJP	NA	NA
+PJ083962	CNNNNYW 	C39H50N12O13S	926.3341	NA	PeJP	NA	NA
+PJ083963	GGGGGGCNYW 	C39H50N12O13S	926.3342	NA	PeJP	NA	NA
+PJ083964	SPCCCCRR 	C32H58N14O10S4	926.3344	NA	PeJP	NA	NA
+PJ083965	ACCCRWW 	C40H54N12O8S3	926.335	NA	PeJP	NA	NA
+PJ083966	GTTEEEMM 	C35H58N8O17S2	926.3362	NA	PeJP	NA	NA
+PJ083967	SSNNNNDY 	C35H50N12O18	926.3366	NA	PeJP	NA	NA
+PJ083968	GGGGGGSSNDY 	C35H50N12O18	926.3367	NA	PeJP	NA	NA
+PJ083969	GPTEMMMM 	C36H62N8O12S4	926.337	NA	PeJP	NA	NA
+PJ083970	GSSCCERW 	C36H54N12O13S2	926.3375	NA	PeJP	NA	NA
+PJ083971	GCNDFWW 	C44H50N10O11S	926.3382	NA	PeJP	NA	NA
+PJ083972	CCMMHFR 	C37H58N12O8S4	926.3384	NA	PeJP	NA	NA
+PJ083973	GPCCHHHH 	C37H50N16O9S2	926.3389	NA	PeJP	NA	NA
+PJ083974	GSSSSCDER 	C32H54N12O18S	926.34	NA	PeJP	NA	NA
+PJ083975	SNDEHYY 	C40H50N10O16	926.3406	NA	PeJP	NA	NA
+PJ083976	SNNDEYW 	C40H50N10O16	926.3407	NA	PeJP	NA	NA
+PJ083977	GSCNEMMR 	C33H58N12O13S3	926.3409	NA	PeJP	NA	NA
+PJ083978	SSCQMWW 	C41H54N10O11S2	926.3415	NA	PeJP	NA	NA
+PJ083979	SSSSNEMW 	C37H54N10O16S	926.344	NA	PeJP	NA	NA
+PJ083980	GGGGGAEEMY 	C37H54N10O16S	926.3441	NA	PeJP	NA	NA
+PJ083981	DEEYWW 	C45H50N8O14	926.3447	NA	PeJP	NA	NA
+PJ083982	SNQMMMW 	C38H58N10O11S3	926.3449	NA	PeJP	NA	NA
+PJ083983	GSSCNHHW 	C38H50N14O12S	926.3454	NA	PeJP	NA	NA
+PJ083984	CCNFFFF 	C46H54N8O9S2	926.3455	NA	PeJP	NA	NA
+PJ083985	GGCCFFFF 	C46H54N8O9S2	926.3456	NA	PeJP	NA	NA
+PJ083986	SSSSSSQEE 	C33H54N10O21	926.3465	NA	PeJP	NA	NA
+PJ083987	SSSQQEMM 	C34H58N10O16S2	926.3474	NA	PeJP	NA	NA
+PJ083988	GSSSSNDHH 	C34H50N14O17	926.3479	NA	PeJP	NA	NA
+PJ083989	SSNMYYY 	C42H54N8O14S	926.348	NA	PeJP	NA	NA
+PJ083990	SPDEMYW 	C42H54N8O14S	926.3481	NA	PeJP	NA	NA
+PJ083991	QQQMMMM 	C35H62N10O11S4	926.3483	NA	PeJP	NA	NA
+PJ083992	GCCNNNFR 	C35H54N14O12S2	926.3487	NA	PeJP	NA	NA
+PJ083993	GGGCCNNFR 	C35H54N14O12S2	926.3488	NA	PeJP	NA	NA
+PJ083994	PPCMMYW 	C43H58N8O9S3	926.3489	NA	PeJP	NA	NA
+PJ083995	TQEEEEY 	C38H54N8O19	926.3506	NA	PeJP	NA	NA
+PJ083996	TTEEMMW 	C39H58N8O14S2	926.3514	NA	PeJP	NA	NA
+PJ083997	GSPNDDHW 	C39H50N12O15	926.3519	NA	PeJP	NA	NA
+PJ083998	GSCCDMRR 	C32H58N14O12S3	926.3521	NA	PeJP	NA	NA
+PJ083999	PTMMMMW 	C40H62N8O9S4	926.3523	NA	PeJP	NA	NA
+PJ084000	SSCCRWW 	C40H54N12O10S2	926.3528	NA	PeJP	NA	NA
+PJ084001	STTTEEEM 	C35H58N8O19S	926.3539	NA	PeJP	NA	NA
+PJ084002	KEEEMMM 	C36H62N8O14S3	926.3548	NA	PeJP	NA	NA
+PJ084003	SSSSCDRW 	C36H54N12O15S	926.3553	NA	PeJP	NA	NA
+PJ084004	GPVMMMMM 	C37H66N8O9S5	926.3557	NA	PeJP	NA	NA
+PJ084005	GSNDYWW 	C44H50N10O13	926.3559	NA	PeJP	NA	NA
+PJ084006	SCNMMRW 	C37H58N12O10S3	926.3561	NA	PeJP	NA	NA
+PJ084007	GGGPCCMFR 	C37H58N12O10S3	926.3562	NA	PeJP	NA	NA
+PJ084008	NDMHHHH 	C37H50N16O11S	926.3566	NA	PeJP	NA	NA
+PJ084009	GCMHFFW 	C45H54N10O8S2	926.3568	NA	PeJP	NA	NA
+PJ084010	SSSSSSDDR 	C32H54N12O20	926.3578	NA	PeJP	NA	NA
+PJ084011	SSSNDMMR 	C33H58N12O15S2	926.3586	NA	PeJP	NA	NA
+PJ084012	GGGGGSSSCKM 	C33H58N12O15S2	926.3587	NA	PeJP	NA	NA
+PJ084013	SNNNNNNH 	C33H50N16O16	926.3591	NA	PeJP	NA	NA
+PJ084014	GGGGGGGGGGGGSH 	C33H50N16O16	926.3592	NA	PeJP	NA	NA
+PJ084015	GSSSSMWW 	C41H54N10O13S	926.3593	NA	PeJP	NA	NA
+PJ084016	NNMMMMR 	C34H62N12O10S4	926.3595	NA	PeJP	NA	NA
+PJ084017	GSCCQHHR 	C34H54N16O11S2	926.36	NA	PeJP	NA	NA
+PJ084018	ACCKMWW 	C42H58N10O8S3	926.3602	NA	PeJP	NA	NA
+PJ084019	GSSSSSTEW 	C37H54N10O18	926.3618	NA	PeJP	NA	NA
+PJ084020	GSSTQMMW 	C38H58N10O13S2	926.3627	NA	PeJP	NA	NA
+PJ084021	NNNNEHW 	C38H50N14O14	926.3631	NA	PeJP	NA	NA
+PJ084022	GGGGGGNEHW 	C38H50N14O14	926.3632	NA	PeJP	NA	NA
+PJ084023	EEMFWW 	C46H54N8O11S	926.3633	NA	PeJP	NA	NA
+PJ084024	CKMMMHF 	C39H62N10O8S4	926.3635	NA	PeJP	NA	NA
+PJ084025	CCNKHHW 	C39H54N14O9S2	926.364	NA	PeJP	NA	NA
+PJ084026	ASSSSTQEM 	C34H58N10O18S	926.3651	NA	PeJP	NA	NA
+PJ084027	GSSSSDKEM 	C34H58N10O18S	926.3652	NA	PeJP	NA	NA
+PJ084028	ATEEEYW 	C42H54N8O16	926.3658	NA	PeJP	NA	NA
+PJ084029	TEEMMMR 	C35H62N10O13S3	926.366	NA	PeJP	NA	NA
+PJ084030	GSCNNNRY 	C35H54N14O14S	926.3665	NA	PeJP	NA	NA
+PJ084031	APEMMYW 	C43H58N8O11S2	926.3667	NA	PeJP	NA	NA
+PJ084032	PMMMMMR 	C36H66N10O8S5	926.3669	NA	PeJP	NA	NA
+PJ084033	GDEHHFW 	C43H50N12O12	926.3672	NA	PeJP	NA	NA
+PJ084034	TCCCRRW 	C36H58N14O9S3	926.3674	NA	PeJP	NA	NA
+PJ084035	MMHHWW 	C44H54N12O7S2	926.368	NA	PeJP	NA	NA
+PJ084036	VQEEEMY 	C39H58N8O16S	926.3692	NA	PeJP	NA	NA
+PJ084037	SSSCCERR 	C32H58N14O14S2	926.3699	NA	PeJP	NA	NA
+PJ084038	SLEMMMW 	C40H62N8O11S3	926.37	NA	PeJP	NA	NA
+PJ084039	VTEMMMW 	C40H62N8O11S3	926.3701	NA	PeJP	NA	NA
+PJ084040	GCNERYW 	C40H54N12O12S	926.3705	NA	PeJP	NA	NA
+PJ084041	CCQMMRR 	C33H62N14O9S4	926.3707	NA	PeJP	NA	NA
+PJ084042	GACCMMRR 	C33H62N14O9S4	926.3708	NA	PeJP	NA	NA
+PJ084043	ACHHHHW 	C41H50N16O8S	926.3719	NA	PeJP	NA	NA
+PJ084044	SSTLEEMM 	C36H62N8O16S2	926.3726	NA	PeJP	NA	NA
+PJ084045	GSSNDERY 	C36H54N12O17	926.373	NA	PeJP	NA	NA
+PJ084046	GGGGGVEEEH 	C36H54N12O17	926.3731	NA	PeJP	NA	NA
+PJ084047	AALEMMMM 	C37H66N8O11S4	926.3734	NA	PeJP	NA	NA
+PJ084048	GSSTCMRW 	C37H58N12O12S2	926.3739	NA	PeJP	NA	NA
+PJ084049	GSSEHHHH 	C37H50N16O13	926.3744	NA	PeJP	NA	NA
+PJ084050	NQMYWW 	C45H54N10O10S	926.3745	NA	PeJP	NA	NA
+PJ084051	GGGAMYWW 	C45H54N10O10S	926.3746	NA	PeJP	NA	NA
+PJ084052	GSSSSSEMR 	C33H58N12O17S	926.3764	NA	PeJP	NA	NA
+PJ084053	SSSSSTWW 	C41H54N10O15	926.377	NA	PeJP	NA	NA
+PJ084054	GGGGTTEYW 	C41H54N10O15	926.3771	NA	PeJP	NA	NA
+PJ084055	GSSQMMMR 	C34H62N12O12S3	926.3773	NA	PeJP	NA	NA
+PJ084056	SSSCNHHR 	C34H54N16O13S	926.3777	NA	PeJP	NA	NA
+PJ084057	SSCKMWW 	C42H58N10O10S2	926.3779	NA	PeJP	NA	NA
+PJ084058	GNNNHWW 	C42H50N14O11	926.3784	NA	PeJP	NA	NA
+PJ084059	SSSSDKMW 	C38H58N10O15S	926.3804	NA	PeJP	NA	NA
+PJ084060	QQYYYY 	C46H54N8O13	926.381	NA	PeJP	NA	NA
+PJ084061	SPPDYYW 	C46H54N8O13	926.3811	NA	PeJP	NA	NA
+PJ084062	SNKMMMW 	C39H62N10O10S3	926.3813	NA	PeJP	NA	NA
+PJ084063	CQQQHHF 	C39H54N14O11S	926.3817	NA	PeJP	NA	NA
+PJ084064	PCNDHRW 	C39H54N14O11S	926.3818	NA	PeJP	NA	NA
+PJ084065	PPCMFFW 	C47H58N8O8S2	926.3819	NA	PeJP	NA	NA
+PJ084066	CCCMRRR 	C32H62N16O8S4	926.382	NA	PeJP	NA	NA
+PJ084067	DHHFWW 	C47H50N12O9	926.3824	NA	PeJP	NA	NA
+PJ084068	SSSSSSKEE 	C34H58N10O20	926.3829	NA	PeJP	NA	NA
+PJ084069	SSSQKEMM 	C35H62N10O15S2	926.3838	NA	PeJP	NA	NA
+PJ084070	ASSSSSQHH 	C35H54N14O16	926.3842	NA	PeJP	NA	NA
+PJ084071	NNEEEHR 	C35H54N14O16	926.3843	NA	PeJP	NA	NA
+PJ084072	GLEEMYW 	C43H58N8O13S	926.3844	NA	PeJP	NA	NA
+PJ084073	GAPEEMFF 	C43H58N8O13S	926.3845	NA	PeJP	NA	NA
+PJ084074	VEMMMMR 	C36H66N10O10S4	926.3847	NA	PeJP	NA	NA
+PJ084075	CCNEFRR 	C36H58N14O11S2	926.3851	NA	PeJP	NA	NA
+PJ084076	PCLMMFW 	C44H62N8O8S3	926.3853	NA	PeJP	NA	NA
+PJ084077	CNRYWW 	C44H54N12O9S	926.3858	NA	PeJP	NA	NA
+PJ084078	TKEEEEY 	C39H58N8O18	926.3869	NA	PeJP	NA	NA
+PJ084079	PPPTEEEE 	C39H58N8O18	926.387	NA	PeJP	NA	NA
+PJ084080	PKEEMMY 	C40H62N8O13S2	926.3878	NA	PeJP	NA	NA
+PJ084081	SSNDRYW 	C40H54N12O14	926.3883	NA	PeJP	NA	NA
+PJ084082	GSSCMMRR 	C33H62N14O11S3	926.3885	NA	PeJP	NA	NA
+PJ084083	VVMMMMW 	C41H66N8O8S4	926.3887	NA	PeJP	NA	NA
+PJ084084	ACNMFRW 	C41H58N12O9S2	926.3891	NA	PeJP	NA	NA
+PJ084085	GCQMFRW 	C41H58N12O9S2	926.3892	NA	PeJP	NA	NA
+PJ084086	SSHHHHW 	C41H50N16O10	926.3896	NA	PeJP	NA	NA
+PJ084087	ATTLEMMM 	C37H66N8O13S3	926.3912	NA	PeJP	NA	NA
+PJ084088	SSSSSMRW 	C37H58N12O14S	926.3916	NA	PeJP	NA	NA
+PJ084089	GGSQEMRY 	C37H58N12O14S	926.3917	NA	PeJP	NA	NA
+PJ084090	GSTQYWW 	C45H54N10O12	926.3923	NA	PeJP	NA	NA
+PJ084091	TCCKMRW 	C38H62N12O9S3	926.3925	NA	PeJP	NA	NA
+PJ084092	CNNHHFR 	C38H54N16O10S	926.393	NA	PeJP	NA	NA
+PJ084093	SSSSSSTER 	C33H58N12O19	926.3941	NA	PeJP	NA	NA
+PJ084094	GGGSSSSSSSK 	C33H58N12O19	926.3942	NA	PeJP	NA	NA
+PJ084095	SSSTQMMR 	C34H62N12O14S2	926.395	NA	PeJP	NA	NA
+PJ084096	NDDDHRR 	C34H54N16O15	926.3955	NA	PeJP	NA	NA
+PJ084097	GNKEMYW 	C42H58N10O12S	926.3957	NA	PeJP	NA	NA
+PJ084098	CQKMMMR 	C35H66N12O9S4	926.3959	NA	PeJP	NA	NA
+PJ084099	PEFYWW 	C50H54N8O10	926.3963	NA	PeJP	NA	NA
+PJ084100	GSCCKHHR 	C35H58N16O10S2	926.3964	NA	PeJP	NA	NA
+PJ084101	SSSSSSSLW 	C38H58N10O17	926.3982	NA	PeJP	NA	NA
+PJ084102	GSSTKMMW 	C39H62N10O12S2	926.399	NA	PeJP	NA	NA
+PJ084103	GGGSPKMMY 	C39H62N10O12S2	926.3991	NA	PeJP	NA	NA
+PJ084104	GNEEHRW 	C39H54N14O13	926.3995	NA	PeJP	NA	NA
+PJ084105	GGGGGGGGAPHF 	C39H54N14O13	926.3996	NA	PeJP	NA	NA
+PJ084106	LEMYWW 	C47H58N8O10S	926.3997	NA	PeJP	NA	NA
+PJ084107	GCCFRRW 	C40H58N14O8S2	926.4004	NA	PeJP	NA	NA
+PJ084108	GSSSTTKEM 	C35H62N10O17S	926.4015	NA	PeJP	NA	NA
+PJ084109	STLEEYW 	C43H58N8O15	926.4022	NA	PeJP	NA	NA
+PJ084110	GSDKKMMM 	C36H66N10O12S3	926.4024	NA	PeJP	NA	NA
+PJ084111	SCNERRY 	C36H58N14O13S	926.4029	NA	PeJP	NA	NA
+PJ084112	SPLMMYW 	C44H62N8O10S2	926.4031	NA	PeJP	NA	NA
+PJ084113	AAQEHWW 	C44H54N12O11	926.4035	NA	PeJP	NA	NA
+PJ084114	GGGVEHWW 	C44H54N12O11	926.4036	NA	PeJP	NA	NA
+PJ084115	CLMMHHR 	C37H62N14O8S3	926.4038	NA	PeJP	NA	NA
+PJ084116	TCHHHHR 	C37H54N18O9S	926.4042	NA	PeJP	NA	NA
+PJ084117	VKEEEMY 	C40H62N8O15S	926.4056	NA	PeJP	NA	NA
+PJ084118	SSSTCMRR 	C33H62N14O13S2	926.4063	NA	PeJP	NA	NA
+PJ084119	AAPLMMMY 	C41H66N8O10S3	926.4064	NA	PeJP	NA	NA
+PJ084120	GSQMRYW 	C41H58N12O11S	926.4069	NA	PeJP	NA	NA
+PJ084121	CCKMMRR 	C34H66N14O8S4	926.4071	NA	PeJP	NA	NA
+PJ084122	NQFFWW 	C49H54N10O9	926.4076	NA	PeJP	NA	NA
+PJ084123	TTTTLEMM 	C37H66N8O15S2	926.4089	NA	PeJP	NA	NA
+PJ084124	GSSTQERY 	C37H58N12O16	926.4094	NA	PeJP	NA	NA
+PJ084125	GTLLMMMM 	C38H70N8O10S4	926.4098	NA	PeJP	NA	NA
+PJ084126	AQQMMRY 	C38H62N12O11S2	926.4103	NA	PeJP	NA	NA
+PJ084127	SNNNHRW 	C38H54N16O12	926.4107	NA	PeJP	NA	NA
+PJ084128	GGSNNHRW 	C38H54N16O12	926.4108	NA	PeJP	NA	NA
+PJ084129	NKMYWW 	C46H58N10O9S	926.4109	NA	PeJP	NA	NA
+PJ084130	GSSSTTTMR 	C34H62N12O16S	926.4128	NA	PeJP	NA	NA
+PJ084131	SSQKEYW 	C42H58N10O14	926.4134	NA	PeJP	NA	NA
+PJ084132	GGGGGALEFY 	C42H58N10O14	926.4135	NA	PeJP	NA	NA
+PJ084133	GSSKMMMR 	C35H66N12O11S3	926.4137	NA	PeJP	NA	NA
+PJ084134	GSPCDHRR 	C35H58N16O12S	926.4141	NA	PeJP	NA	NA
+PJ084135	GGGGGGAAMHR 	C35H58N16O12S	926.4142	NA	PeJP	NA	NA
+PJ084136	PCCKKYW 	C43H62N10O9S2	926.4143	NA	PeJP	NA	NA
+PJ084137	NEHRWW 	C43H54N14O10	926.4148	NA	PeJP	NA	NA
+PJ084138	SSSTTKMW 	C39H62N10O14S	926.4168	NA	PeJP	NA	NA
+PJ084139	PPTTYYW 	C47H58N8O12	926.4174	NA	PeJP	NA	NA
+PJ084140	GPLEYYW 	C47H58N8O12	926.4175	NA	PeJP	NA	NA
+PJ084141	TCKKMMW 	C40H66N10O9S3	926.4177	NA	PeJP	NA	NA
+PJ084142	GSCRRYW 	C40H58N14O10S	926.4181	NA	PeJP	NA	NA
+PJ084143	GGSPMHRW 	C40H58N14O10S	926.4182	NA	PeJP	NA	NA
+PJ084144	VNHWWW 	C48H54N12O8	926.4188	NA	PeJP	NA	NA
+PJ084145	SSSSTTTKE 	C35H62N10O19	926.4193	NA	PeJP	NA	NA
+PJ084146	SSSKKEMM 	C36H66N10O14S2	926.4202	NA	PeJP	NA	NA
+PJ084147	GSSSDRRY 	C36H58N14O15	926.4206	NA	PeJP	NA	NA
+PJ084148	GPPDDDRR 	C36H58N14O15	926.4207	NA	PeJP	NA	NA
+PJ084149	SVLEMYW 	C44H62N8O12S	926.4208	NA	PeJP	NA	NA
+PJ084150	QKKMMMM 	C37H70N10O9S4	926.421	NA	PeJP	NA	NA
+PJ084151	GAKKMMMM 	C37H70N10O9S4	926.4211	NA	PeJP	NA	NA
+PJ084152	GNMMRRY 	C37H62N14O10S2	926.4215	NA	PeJP	NA	NA
+PJ084153	APCKHWW 	C45H58N12O8S	926.4222	NA	PeJP	NA	NA
+PJ084154	SSSLLEEY 	C40H62N8O17	926.4233	NA	PeJP	NA	NA
+PJ084155	LLQEMMY 	C41H66N8O12S2	926.4242	NA	PeJP	NA	NA
+PJ084156	SSTQRYW 	C41H58N12O13	926.4247	NA	PeJP	NA	NA
+PJ084157	CNNQHRR 	C34H58N18O11S	926.4253	NA	PeJP	NA	NA
+PJ084158	GGCNQHRR 	C34H58N18O11S	926.4254	NA	PeJP	NA	NA
+PJ084159	GCKMFRW 	C42H62N12O8S2	926.4255	NA	PeJP	NA	NA
+PJ084160	VNHHHHF 	C42H54N16O9	926.426	NA	PeJP	NA	NA
+PJ084161	STTLLMMM 	C38H70N8O12S3	926.4276	NA	PeJP	NA	NA
+PJ084162	SNKEMRY 	C38H62N12O13S	926.428	NA	PeJP	NA	NA
+PJ084163	GGGGGTCKKY 	C38H62N12O13S	926.4281	NA	PeJP	NA	NA
+PJ084164	GSTKYWW 	C46H58N10O11	926.4287	NA	PeJP	NA	NA
+PJ084165	LKMMMHH 	C39H66N12O8S3	926.4289	NA	PeJP	NA	NA
+PJ084166	TKMHHHH 	C39H58N16O9S	926.4294	NA	PeJP	NA	NA
+PJ084167	GHRWWW 	C47H54N14O7	926.43	NA	PeJP	NA	NA
+PJ084168	SSSSTTTTR 	C34H62N12O18	926.4305	NA	PeJP	NA	NA
+C14539	Krm 1657	C50H62N4O13	926.4313	NA	KEGG	NA	NA
+PJ084169	SSSTKMMR 	C35H66N12O13S2	926.4314	NA	PeJP	NA	NA
+PJ084170	SNEEHRR 	C35H58N16O14	926.4319	NA	PeJP	NA	NA
+PJ084171	ATQKMYW 	C43H62N10O11S	926.432	NA	PeJP	NA	NA
+PJ084172	GDKKMYW 	C43H62N10O11S	926.4321	NA	PeJP	NA	NA
+PJ084173	CKKMMMR 	C36H70N12O8S4	926.4323	NA	PeJP	NA	NA
+PJ084174	PLYYWW 	C51H58N8O9	926.4327	NA	PeJP	NA	NA
+PJ084175	ACCRRRY 	C36H62N16O9S2	926.4328	NA	PeJP	NA	NA
+PJ084176	SSSLNKEY 	C39H62N10O16	926.4345	NA	PeJP	NA	NA
+PJ084177	GSSKKEEY 	C39H62N10O16	926.4346	NA	PeJP	NA	NA
+PJ084178	VVEMMRY 	C40H66N10O11S2	926.4354	NA	PeJP	NA	NA
+PJ084179	GGGAPPPLMM 	C40H66N10O11S2	926.4355	NA	PeJP	NA	NA
+PJ084180	GDKEHRW 	C40H58N14O12	926.4359	NA	PeJP	NA	NA
+PJ084181	APLMFYW 	C48H62N8O9S	926.4361	NA	PeJP	NA	NA
+PJ084182	GHHHHFR 	C41H54N18O8	926.4373	NA	PeJP	NA	NA
+PJ084183	SSSSSTLKM 	C36H66N10O16S	926.4379	NA	PeJP	NA	NA
+PJ084184	PVKEEYY 	C44H62N8O14	926.4386	NA	PeJP	NA	NA
+PJ084185	GTTKKMMM 	C37H70N10O11S3	926.4388	NA	PeJP	NA	NA
+PJ084186	SSQMRRY 	C37H62N14O12S	926.4393	NA	PeJP	NA	NA
+PJ084187	ALLMMYW 	C45H66N8O9S2	926.4394	NA	PeJP	NA	NA
+PJ084188	VVVMMYW 	C45H66N8O9S2	926.4395	NA	PeJP	NA	NA
+PJ084189	GPPERWW 	C45H58N12O10	926.4399	NA	PeJP	NA	NA
+PJ084190	ASTLLEMY 	C41H66N8O14S	926.4419	NA	PeJP	NA	NA
+PJ084191	GTTLLEMY 	C41H66N8O14S	926.442	NA	PeJP	NA	NA
+PJ084192	AALLMMMF 	C42H70N8O9S3	926.4428	NA	PeJP	NA	NA
+PJ084193	GSSNNHRR 	C34H58N18O13	926.4431	NA	PeJP	NA	NA
+PJ084194	GSKMRYW 	C42H62N12O10S	926.4433	NA	PeJP	NA	NA
+PJ084195	NKFFWW 	C50H58N10O8	926.4439	NA	PeJP	NA	NA
+PJ084196	GPPVWWW 	C50H58N10O8	926.444	NA	PeJP	NA	NA
+MJ097868	Keramamide A; 5'-Deoxy 	C49H63ClN8O8	926.445738	NA	MeJP	NA	NA
+PJ084197	GSSTKERY 	C38H62N12O15	926.4458	NA	PeJP	NA	NA
+PJ084198	AQKMMRY 	C39H66N12O10S2	926.4467	NA	PeJP	NA	NA
+PJ084199	GSEHRRW 	C39H58N16O11	926.4471	NA	PeJP	NA	NA
+PJ084200	GGGPTKHHH 	C39H58N16O11	926.4472	NA	PeJP	NA	NA
+PJ084201	PPLMHFW 	C47H62N10O8S	926.4473	NA	PeJP	NA	NA
+PJ084202	SSKKEYW 	C43H62N10O13	926.4498	NA	PeJP	NA	NA
+PJ084203	SCCCKKKK 	C36H70N12O10S3	926.45	NA	PeJP	NA	NA
+PJ084204	SSCRRRY 	C36H62N16O11S	926.4505	NA	PeJP	NA	NA
+PJ084205	GKKMMFW 	C44H66N10O8S2	926.4507	NA	PeJP	NA	NA
+MJ097869	1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-xylopyranosyl-(1?4)]-?-D-glucopyranoside], 1-Ac 	C46H70O19	926.45113	NA	MeJP	NA	NA
+MJ097870	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[1-Carboxy-1-(carboxymethoxy)methyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C46H70O19	926.45113	NA	MeJP	NA	NA
+MJ097871	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[1S-(Carboxymethoxy)carboxymethyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C46H70O19	926.45113	NA	MeJP	NA	NA
+PJ084206	DKHRWW 	C44H58N14O9	926.4512	NA	PeJP	NA	NA
+PJ084207	TQKKEMY 	C40H66N10O13S	926.4532	NA	PeJP	NA	NA
+PJ084208	SPVLYYW 	C48H62N8O11	926.4538	NA	PeJP	NA	NA
+PJ084209	GAPLEFFF 	C48H62N8O11	926.4539	NA	PeJP	NA	NA
+PJ084210	VLMMMFR 	C41H70N10O8S3	926.4541	NA	PeJP	NA	NA
+PJ084211	GLQMHRW 	C41H62N14O9S	926.4545	NA	PeJP	NA	NA
+PJ084212	PPRWWW 	C49H58N12O7	926.4552	NA	PeJP	NA	NA
+PJ084213	SSTTTTTTK 	C36H66N10O18	926.4557	NA	PeJP	NA	NA
+PJ084214	STTTKKMM 	C37H70N10O13S2	926.4565	NA	PeJP	NA	NA
+PJ084215	GSSTTRRY 	C37H62N14O14	926.457	NA	PeJP	NA	NA
+PJ084216	GGGGGPLQER 	C37H62N14O14	926.4571	NA	PeJP	NA	NA
+PJ084217	TTLLMYW 	C45H66N8O11S	926.4572	NA	PeJP	NA	NA
+PJ084218	KKKMMMM 	C38H74N10O8S4	926.4574	NA	PeJP	NA	NA
+PJ084219	ACKMRRY 	C38H66N14O9S2	926.4579	NA	PeJP	NA	NA
+PJ084220	VNQHHHR 	C38H58N18O10	926.4584	NA	PeJP	NA	NA
+PJ084221	STTTLLEY 	C41H66N8O16	926.4597	NA	PeJP	NA	NA
+PJ084222	LLKEMMY 	C42H70N8O11S2	926.4606	NA	PeJP	NA	NA
+PJ084223	SSTKRYW 	C42H62N12O12	926.461	NA	PeJP	NA	NA
+PJ084224	PPDKERW 	C42H62N12O12	926.4611	NA	PeJP	NA	NA
+PJ084225	CNNKHRR 	C35H62N18O10S	926.4617	NA	PeJP	NA	NA
+PJ084226	GDMHRRR 	C35H62N18O10S	926.4618	NA	PeJP	NA	NA
+PJ084227	SHRRWW 	C43H58N16O8	926.4624	NA	PeJP	NA	NA
+PJ084228	SDKKMRY 	C39H66N12O12S	926.4644	NA	PeJP	NA	NA
+PJ084229	GGGGGGPPLKM 	C39H66N12O12S	926.4645	NA	PeJP	NA	NA
+PJ084230	PPVDKWW 	C47H62N10O10	926.4651	NA	PeJP	NA	NA
+PJ084231	AAMHRRW 	C40H62N16O8S	926.4658	NA	PeJP	NA	NA
+PJ084232	SDKEHRR 	C36H62N16O13	926.4683	NA	PeJP	NA	NA
+PJ084233	ATKKMYW 	C44H66N10O10S	926.4684	NA	PeJP	NA	NA
+PJ084234	LLLDMHW 	C44H66N10O10S	926.4685	NA	PeJP	NA	NA
+PJ084235	LLFYWW 	C52H62N8O8	926.4691	NA	PeJP	NA	NA
+PJ084236	GQHHHRR 	C37H58N20O9	926.4696	NA	PeJP	NA	NA
+PJ084237	GTTTKKEY 	C40H66N10O15	926.4709	NA	PeJP	NA	NA
+PJ084238	SSLLLEEH 	C40H66N10O15	926.471	NA	PeJP	NA	NA
+PJ084239	TLLMMRY 	C41H70N10O10S2	926.4718	NA	PeJP	NA	NA
+PJ084240	SPPERRW 	C41H62N14O11	926.4723	NA	PeJP	NA	NA
+PJ084241	ALLMFFW 	C49H66N8O8S	926.4725	NA	PeJP	NA	NA
+7700	ACE inhibitor from human plasma	YLYEIAR	926.474	antioxidative	Inhouse_peptide	NA	peptide
+PJ084242	VLLQEYY 	C45H66N8O13	926.475	NA	PeJP	NA	NA
+PJ084243	SSKMRRY 	C38H66N14O11S	926.4757	NA	PeJP	NA	NA
+PJ084244	SPPVRWW 	C46H62N12O9	926.4763	NA	PeJP	NA	NA
+PJ084245	SSTLLLMY 	C42H70N8O13S	926.4783	NA	PeJP	NA	NA
+PJ084246	PPVLLEEM 	C42H70N8O13S	926.4784	NA	PeJP	NA	NA
+PJ084247	SSEHRRR 	C35H62N18O12	926.4795	NA	PeJP	NA	NA
+PJ084248	PPLQMRW 	C43H66N12O9S	926.4797	NA	PeJP	NA	NA
+PJ084249	SSSSLKRY 	C39H66N12O14	926.4822	NA	PeJP	NA	NA
+PJ084250	AKKMMRY 	C40H70N12O9S2	926.483	NA	PeJP	NA	NA
+PJ084251	APPPKMMR 	C40H70N12O9S2	926.4831	NA	PeJP	NA	NA
+PJ084252	ATTHRRW 	C40H62N16O10	926.4835	NA	PeJP	NA	NA
+PJ084253	TTTKKYW 	C44H66N10O12	926.4862	NA	PeJP	NA	NA
+PJ084254	PPDMRRR 	C37H66N16O10S	926.4869	NA	PeJP	NA	NA
+C17540	Chikusetsusaponin IV	C47H74O18	926.4875	NA	KEGG	NA	NA
+C17545	Chikusetsusaponin Ib	C47H74O18	926.4875	NA	KEGG	NA	NA
+PJ084255	VVLHHHW 	C45H62N14O8	926.4875	NA	PeJP	NA	NA
+MJ097872	12-Oleanene-3,16,21,22,23,28-hexol, 21-O-(2S-Methylbutanoyl), 3-O-[?-arabino-2-hexulopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097873	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097874	12-Oleanene-3,22,24,30-tetrol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097875	3,11,19,20-Tetrahydroxy-13(18)-ursen-28-oic acid, 28?20 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097876	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097877	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?6)]-?-D-glucopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097878	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097879	3,21-Dihydroxy-16-oxo-28-nor-12-oleanen-23-al, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097880	3-Hydroxy-12-ursen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097881	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-L-rhamnopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097882	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-6-deoxy-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097883	3-Hydroxy-18-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097884	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-arabinofuranosyl-(1?4)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097885	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-arabinopyranosyl-(1?4)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097886	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097887	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097888	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097889	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-D-glucuronopyranosyl-(1?3)]-?-D-glucopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097890	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097891	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097892	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-[?-D-glucopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097893	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097894	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?2)-[?-D-glucopyransoyl-(1?3)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097895	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097896	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097897	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097898	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Xylopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097899	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-galactopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097900	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+MJ097901	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O18	926.487515	NA	MeJP	NA	NA
+PJ084256	GPKHFRW 	C45H62N14O8	926.4876	NA	PeJP	NA	NA
+PJ084257	TKKKEMY 	C41H70N10O12S	926.4896	NA	PeJP	NA	NA
+PJ084258	GLLLYYW 	C49H66N8O10	926.4902	NA	PeJP	NA	NA
+PJ084259	PPCLRRW 	C42H66N14O8S	926.4909	NA	PeJP	NA	NA
+PJ084260	PLQEERR 	C38H66N14O13	926.4934	NA	PeJP	NA	NA
+PJ084261	GGGGGGGGPVKK 	C38H66N14O13	926.4935	NA	PeJP	NA	NA
+PJ084262	PLLKMYY 	C46H70N8O10S	926.4936	NA	PeJP	NA	NA
+PJ084263	PKKMMHR 	C39H70N14O8S2	926.4943	NA	PeJP	NA	NA
+PJ084264	PPQHHRR 	C39H62N18O9	926.4948	NA	PeJP	NA	NA
+PJ084265	PVVLLEEE 	C42H70N8O15	926.4961	NA	PeJP	NA	NA
+PJ084266	PVLQERW 	C43H66N12O11	926.4974	NA	PeJP	NA	NA
+PJ084267	GGPLLERW 	C43H66N12O11	926.4975	NA	PeJP	NA	NA
+PJ084268	ATMHRRR 	C36H66N18O9S	926.4981	NA	PeJP	NA	NA
+PJ084269	TTKKMRY 	C40H70N12O11S	926.5008	NA	PeJP	NA	NA
+PJ084270	PPTLKWW 	C48H66N10O9	926.5015	NA	PeJP	NA	NA
+MJ097902	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Cinnamoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H74O15	926.502771	NA	MeJP	NA	NA
+MJ097903	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Cinnamoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranoside] 	C51H74O15	926.502771	NA	MeJP	NA	NA
+PJ084271	TTKEHRR 	C37H66N16O12	926.5046	NA	PeJP	NA	NA
+PJ084272	PVDERRR 	C37H66N16O12	926.5047	NA	PeJP	NA	NA
+PJ084273	GPPVLKMW 	C45H70N10O9S	926.5048	NA	PeJP	NA	NA
+PJ084274	GKHHHRR 	C38H62N20O8	926.506	NA	PeJP	NA	NA
+PJ084275	SSTTLKKY 	C41H70N10O14	926.5073	NA	PeJP	NA	NA
+PJ084276	GGPVVLKEE 	C41H70N10O14	926.5074	NA	PeJP	NA	NA
+PJ084277	VKKKMMY 	C42H74N10O9S2	926.5082	NA	PeJP	NA	NA
+PJ084278	APLERRW 	C42H66N14O10	926.5087	NA	PeJP	NA	NA
+PJ084279	AATIILYY 	C46H70N8O12	926.5113	NA	PeJP	NA	NA
+MJ097904	Nostopeptin B 	C46H70N8O12	926.511319	NA	MeJP	NA	NA
+PJ084280	VLLKEYY 	C46H70N8O12	926.5114	NA	PeJP	NA	NA
+PJ084281	VKKEMHR 	C39H70N14O10S	926.512	NA	PeJP	NA	NA
+PJ084282	GPPTLMRR 	C39H70N14O10S	926.5121	NA	PeJP	NA	NA
+PJ084283	GPLLRWW 	C47H66N12O8	926.5127	NA	PeJP	NA	NA
+PJ084284	TTTHRRR 	C36H66N18O11	926.5159	NA	PeJP	NA	NA
+PJ084285	PPLKMRW 	C44H70N12O8S	926.5161	NA	PeJP	NA	NA
+PJ084286	GPVLKEER 	C40H70N12O13	926.5186	NA	PeJP	NA	NA
+PJ084287	GPQKRRW 	C41H66N16O9	926.5199	NA	PeJP	NA	NA
+PJ084288	AAPLLKEW 	C45H70N10O11	926.5226	NA	PeJP	NA	NA
+PJ084289	SLKMHRR 	C38H70N16O9S	926.5233	NA	PeJP	NA	NA
+C08976	Saikosaponin BK1	C48H78O17	926.5239	NA	KEGG	NA	NA
+MJ097905	12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097906	12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097907	13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-D-fucopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097908	13,28-Epoxy-11-oleanene-3,16-diol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097909	13,28-Epoxy-11-oleanene-3,23-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-D-glucopyranosyl(1?2)]-?-D-fucopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097910	27(13?18)-Abeo-3-hydroxy-13-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097911	27(13?18)-Abeo-3-hydroxy-14-taraxeren-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097912	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097913	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-cymaropyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-digitoxopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097914	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-Cymaropyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-oleandropyranosyl-(1?4)-?-digitoxopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097915	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-oleandropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097916	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097917	3-Hydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097918	3-Hydroxy-20(29)-lupen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097919	Jujubogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-L-rhamnopyranoside 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097920	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097921	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097922	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097923	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O17	926.523901	NA	MeJP	NA	NA
+MJ097924	Oleanolic acid glycosyl esters; Triglycosides, [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O17	926.523901	NA	MeJP	NA	NA
+PJ084290	STLLLLMH 	C42H74N10O11S	926.526	NA	PeJP	NA	NA
+PJ084291	PLLKFFY 	C50H70N8O9	926.5266	NA	PeJP	NA	NA
+MJ097925	Cephalostatin 2 	C54H74N2O11	926.529261	NA	MeJP	NA	NA
+MJ097926	Igercine 	C39H70N14O12	926.529763	NA	MeJP	NA	NA
+PJ084292	PLKEERR 	C39H70N14O12	926.5298	NA	PeJP	NA	NA
+PJ084293	LLLKMFY 	C47H74N8O9S	926.53	NA	PeJP	NA	NA
+3940	aurein 3,3	GLFDIVKKIAGHIVSSIG	926.53045	MH2+	Inhouse_peptide	NA	peptide
+PJ084294	GVHFRRR 	C40H66N18O8	926.5312	NA	PeJP	NA	NA
+PJ084295	PTLLLLEE 	C43H74N8O14	926.5325	NA	PeJP	NA	NA
+PJ084296	PPLLLLMM 	C44H78N8O9S2	926.5334	NA	PeJP	NA	NA
+PJ084297	PVLKERW 	C44H70N12O10	926.5338	NA	PeJP	NA	NA
+MJ097927	Foromacidin A; 3,4''-Di-Ac 	C47H78N2O16	926.535134	NA	MeJP	NA	NA
+PJ084298	SPPVLKMR 	C41H74N12O10S	926.5372	NA	PeJP	NA	NA
+PJ084299	PVVLKWW 	C49H70N10O8	926.5379	NA	PeJP	NA	NA
+PJ084300	PTLERRR 	C38H70N16O11	926.541	NA	PeJP	NA	NA
+PJ084301	GGPKKERR 	C38H70N16O11	926.5411	NA	PeJP	NA	NA
+PJ084302	VKKKMFF 	C46H74N10O8S	926.5412	NA	PeJP	NA	NA
+PJ084303	HFRRRR 	C39H66N20O7	926.5424	NA	PeJP	NA	NA
+8098	ADNF-9	SALLRSIPA	926.543	binding	Inhouse_peptide	NA	peptide
+PJ084304	APLLKKEE 	C42H74N10O13	926.5437	NA	PeJP	NA	NA
+PJ084305	SPLLRRW 	C43H70N14O9	926.5451	NA	PeJP	NA	NA
+PJ084306	PPVLLLEF 	C47H74N8O11	926.5478	NA	PeJP	NA	NA
+PJ084307	AAPLLMRR 	C40H74N14O9S	926.5484	NA	PeJP	NA	NA
+PJ084308	PVLLLLEM 	C44H78N8O11S	926.5511	NA	PeJP	NA	NA
+PJ084309	SPQKRRR 	C37H70N18O10	926.5523	NA	PeJP	NA	NA
+PJ084310	STTILKKH 	C41H74N12O12	926.5549	NA	PeJP	NA	NA
+PJ084311	APTLLKER 	C41H74N12O12	926.555	NA	PeJP	NA	NA
+PJ084312	GPKKRRW 	C42H70N16O8	926.5563	NA	PeJP	NA	NA
+PJ084313	GPTLLLKW 	C46H74N10O10	926.559	NA	PeJP	NA	NA
+PJ084314	PVLMRRR 	C39H74N16O8S	926.5597	NA	PeJP	NA	NA
+PJ084315	PPTLLKKM 	C43H78N10O10S	926.5624	NA	PeJP	NA	NA
+PJ084316	LLLKFFF 	C51H74N8O8	926.563	NA	PeJP	NA	NA
+PJ084317	GVQRRRR 	C36H70N20O9	926.5635	NA	PeJP	NA	NA
+MJ097928	Cephalostatin 8 	C55H78N2O10	926.565646	NA	MeJP	NA	NA
+MJ097929	Ritterazine E 	C55H78N2O10	926.565646	NA	MeJP	NA	NA
+PJ084318	LLLQERR 	C40H74N14O11	926.5662	NA	PeJP	NA	NA
+PJ084319	VVLLLLEE 	C44H78N8O13	926.5689	NA	PeJP	NA	NA
+PJ084320	VLLLQRW 	C45H74N12O9	926.5702	NA	PeJP	NA	NA
+MJ097930	Foromacidin A; 4''-(3-Methylbutanoyl) 	C48H82N2O15	926.571519	NA	MeJP	NA	NA
+PJ084321	GPLLLKMR 	C42H78N12O9S	926.5736	NA	PeJP	NA	NA
+PJ084322	QRRRRR 	C35H70N22O8	926.5747	NA	PeJP	NA	NA
+PJ084323	GARRRRR 	C35H70N22O8	926.5748	NA	PeJP	NA	NA
+PJ084324	VVLERRR 	C39H74N16O10	926.5774	NA	PeJP	NA	NA
+PJ084325	SPLLLKKE 	C43H78N10O12	926.5801	NA	PeJP	NA	NA
+PJ084326	ALLLRRW 	C44H74N14O8	926.5814	NA	PeJP	NA	NA
+PJ084327	PPVLLLLY 	C48H78N8O10	926.5841	NA	PeJP	NA	NA
+PJ084328	KKKKKMH 	C41H78N14O8S	926.5848	NA	PeJP	NA	NA
+PJ084329	SPKKRRR 	C38H74N18O9	926.5887	NA	PeJP	NA	NA
+PJ084330	AVVLLKER 	C42H78N12O11	926.5913	NA	PeJP	NA	NA
+PJ084331	GVLLLKER 	C42H78N12O11	926.5914	NA	PeJP	NA	NA
+PJ084332	AALLLLKW 	C47H78N10O9	926.5954	NA	PeJP	NA	NA
+PJ084333	PVVLLKKM 	C44H82N10O9S	926.5987	NA	PeJP	NA	NA
+PJ084334	GVKRRRR 	C37H74N20O8	926.5999	NA	PeJP	NA	NA
+PJ084335	LLLKERR 	C41H78N14O10	926.6026	NA	PeJP	NA	NA
+PJ084336	TLLLLLLE 	C45H82N8O12	926.6053	NA	PeJP	NA	NA
+PJ084337	VLLLKRW 	C46H78N12O8	926.6066	NA	PeJP	NA	NA
+PJ084338	KRRRRR 	C36H74N22O7	926.6111	NA	PeJP	NA	NA
+PJ084339	TLLLRRR 	C40H78N16O9	926.6138	NA	PeJP	NA	NA
+PJ084340	ALLLLKKE 	C44H82N10O11	926.6165	NA	PeJP	NA	NA
+PJ084341	PVLLLLLF 	C49H82N8O9	926.6205	NA	PeJP	NA	NA
+PJ084342	VLLLLLLM 	C46H86N8O9S	926.6239	NA	PeJP	NA	NA
+PJ084343	ALKKRRR 	C39H78N18O8	926.6251	NA	PeJP	NA	NA
+PJ084344	ATLLLLKR 	C43H82N12O10	926.6277	NA	PeJP	NA	NA
+C04574	di-trans,poly-cis-Undecaprenyl diphosphate	C55H92O7P2	926.6318	NA	KEGG	NA	NA
+MJ097931	Undecaprenyl diphosphate 	C55H92O7P2	926.631828	NA	MeJP	NA	NA
+MetaCyc04322	undecaprenyl diphosphate [undecaprenyl-PP;bactoprenyl pyrophosphate;undecaprenyl pyrophosphate;UPP;di-trans,poly-cis-undecaprenyl diphosphate;]	C55H92O7P2	926.631828	NA	metacyc	NA	NA
+MetaCyc04323	di-trans,poly-cis-undecaprenyl diphosphate [di-trans-poly-cis-undecaprenyl diphosphate;]	C55H92O7P2	926.631828	NA	metacyc	NA	NA
+HMDB01469	Undecaprenyl diphosphate	C55H92O7P2	926.631836	NA	HMDB2010	NA	NA
+HMDB01469	Undecaprenyl diphosphate	C55H92O7P2	926.63184	http://www.hmdb.ca/metabolites/HMDB01469	HMDB	NA	NA
+HMDB01469	Undecaprenyl diphosphate	C55H92O7P2	926.63184	HMDB01469	PFEM_hmdb_metabocards_official	NA	NA
+PJ084345	AALLKKKR 	C42H82N14O9	926.639	NA	PeJP	NA	NA
+PJ084346	VLKKKRR 	C41H82N16O8	926.6502	NA	PeJP	NA	NA
+PJ084347	SLLLLLKK 	C45H86N10O10	926.6529	NA	PeJP	NA	NA
+MJ097932	Zeaxanthin; 3-O-[11-Methyldodecanoyl-(?6)-?-D-glucopyranoside] 	C59H90O8	926.663569	NA	MeJP	NA	NA
+C15956	Thermozeaxanthin-13	C59H90O8	926.6636	NA	KEGG	NA	NA
+PJ084348	GLLLKKKK 	C44H86N12O9	926.6641	NA	PeJP	NA	NA
+MJ097933	Trivernolin 	C57H98O9	926.721084	NA	MeJP	NA	NA
+HMDB05476	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H98O6	926.736328	NA	HMDB2010	NA	NA
+HMDB10496	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C61H98O6	926.736328	NA	HMDB2010	NA	NA
+HMDB10506	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C61H98O6	926.736328	NA	HMDB2010	NA	NA
+HMDB10509	TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C61H98O6	926.736328	NA	HMDB2010	NA	NA
+HMDB10520	TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C61H98O6	926.736328	NA	HMDB2010	NA	NA
+HMDB10524	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	C61H98O6	926.736328	NA	HMDB2010	NA	NA
+HMDB05476	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H98O6	926.73633	http://www.hmdb.ca/metabolites/HMDB05476	HMDB	NA	NA
+HMDB05476	TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H98O6	926.73633	HMDB05476	PFEM_hmdb_metabocards_official	NA	NA
+8231	Antioxidative peptide	PIAAEVYEHTEGSTTSY	926.907	MH2+	Inhouse_peptide	NA	peptide
+3690	NA	VRQWNLTEFVLDTHP	926.9629	MH2+	Inhouse_peptide	NA	peptide
+2595	tachylepsin III from homocytes of horse shoe crab	KWCFRVCYRGICYRRCR~	927.0305	MH2+	Inhouse_peptide	NA	peptide
+PJ084349	GCCCCCCCM 	C28H49N9O10S8	927.1369	NA	PeJP	NA	NA
+PJ084350	STCCCCCCC 	C28H49N9O12S7	927.1546	NA	PeJP	NA	NA
+PJ084351	CCCCCCQY 	C32H49N9O11S6	927.1876	NA	PeJP	NA	NA
+PJ084352	GPCCCCCCH 	C31H49N11O10S6	927.1989	NA	PeJP	NA	NA
+PJ084353	GSSCCCCCY 	C32H49N9O13S5	927.2054	NA	PeJP	NA	NA
+PJ084354	CCCCNDMH 	C31H49N11O12S5	927.2166	NA	PeJP	NA	NA
+PJ084355	CCNDDDDE 	C31H45N9O20S2	927.2223	NA	PeJP	NA	NA
+PJ084356	CCCCCCKY 	C33H53N9O10S6	927.224	NA	PeJP	NA	NA
+PJ084357	ACCCCCHW 	C35H49N11O9S5	927.2319	NA	PeJP	NA	NA
+PJ084358	GSSCCCCEH 	C31H49N11O14S4	927.2344	NA	PeJP	NA	NA
+PJ084359	GCCDDDDW 	C35H45N9O17S2	927.2375	NA	PeJP	NA	NA
+PJ084360	GCCCCNYY 	C36H49N9O12S4	927.2384	NA	PeJP	NA	NA
+PJ084361	GSSCDDDDD 	C31H45N9O22S	927.24	NA	PeJP	NA	NA
+PJ084362	GSPCCCDDE 	C32H49N9O17S3	927.2409	NA	PeJP	NA	NA
+PJ084363	GPPCCCCDM 	C33H53N9O12S5	927.2418	NA	PeJP	NA	NA
+PJ084364	SSCCCCHW 	C35H49N11O11S4	927.2496	NA	PeJP	NA	NA
+PJ084365	SSSSCCCDH 	C31H49N11O16S3	927.2521	NA	PeJP	NA	NA
+PJ084366	GGGGGGCCDDM 	C31H49N11O16S3	927.2522	NA	PeJP	NA	NA
+PJ084367	SCCCNMMH 	C32H53N11O11S5	927.253	NA	PeJP	NA	NA
+PJ084368	SPCCCDDW 	C36H49N9O14S3	927.2562	NA	PeJP	NA	NA
+PJ084369	SCCDDQEE 	C32H49N9O19S2	927.2586	NA	PeJP	NA	NA
+PJ084370	SCNDDDEM 	C32H49N9O19S2	927.2587	NA	PeJP	NA	NA
+PJ084371	PCCNDDMM 	C33H53N9O14S4	927.2595	NA	PeJP	NA	NA
+PJ084372	GSCCCNNNN 	C30H49N13O15S3	927.2634	NA	PeJP	NA	NA
+PJ084373	CCDMMYY 	C38H53N7O12S4	927.2635	NA	PeJP	NA	NA
+PJ084374	TCCCCCHR 	C31H53N13O10S5	927.2642	NA	PeJP	NA	NA
+PJ084375	GCCCNNEW 	C35H49N11O13S3	927.2674	NA	PeJP	NA	NA
+PJ084376	SCCDDDDR 	C31H49N11O18S2	927.2699	NA	PeJP	NA	NA
+PJ084377	PCCCCDER 	C32H53N11O13S4	927.2708	NA	PeJP	NA	NA
+PJ084378	GNDDDDDY 	C35H45N9O21	927.273	NA	PeJP	NA	NA
+PJ084379	GGGDDDDDY 	C35H45N9O21	927.2731	NA	PeJP	NA	NA
+PJ084380	GSCDDDMW 	C36H49N9O16S2	927.2739	NA	PeJP	NA	NA
+PJ084381	GPCCCEMW 	C37H53N9O11S4	927.2748	NA	PeJP	NA	NA
+PJ084382	GSSSDDDDM 	C32H49N9O21S	927.2764	NA	PeJP	NA	NA
+PJ084383	GNDDDMMM 	C33H53N9O16S3	927.2773	NA	PeJP	NA	NA
+PJ084384	CCDDFYY 	C41H49N7O14S2	927.2779	NA	PeJP	NA	NA
+PJ084385	APPTCCCCM 	C34H57N9O11S5	927.2781	NA	PeJP	NA	NA
+PJ084386	GSPPCCCMM 	C34H57N9O11S5	927.2782	NA	PeJP	NA	NA
+PJ084387	PCCCNDHH 	C34H49N13O12S3	927.2786	NA	PeJP	NA	NA
+PJ084388	CCMMMFY 	C39H57N7O9S5	927.2822	NA	PeJP	NA	NA
+PJ084389	CCCNNWW 	C39H49N11O10S3	927.2826	NA	PeJP	NA	NA
+PJ084390	GGGGCCCWW 	C39H49N11O10S3	927.2827	NA	PeJP	NA	NA
+PJ084391	SSCCNNDW 	C35H49N11O15S2	927.2851	NA	PeJP	NA	NA
+PJ084392	GGGGSSCCDW 	C35H49N11O15S2	927.2852	NA	PeJP	NA	NA
+PJ084393	GCCCQMHF 	C36H53N11O10S4	927.286	NA	PeJP	NA	NA
+PJ084394	SSSSCNNDD 	C31H49N11O20S	927.2876	NA	PeJP	NA	NA
+PJ084395	GGGGSSSSCDD 	C31H49N11O20S	927.2877	NA	PeJP	NA	NA
+PJ084396	GCCDDEMR 	C32H53N11O15S3	927.2885	NA	PeJP	NA	NA
+PJ084397	SCCDEWW 	C40H49N9O13S2	927.2892	NA	PeJP	NA	NA
+PJ084398	TCCCCKMH 	C33H57N11O10S5	927.2894	NA	PeJP	NA	NA
+PJ084399	PCCCMWW 	C41H53N9O8S4	927.29	NA	PeJP	NA	NA
+PJ084400	SSSCDDEW 	C36H49N9O18S	927.2917	NA	PeJP	NA	NA
+PJ084401	CNDEMMW 	C37H53N9O13S3	927.2925	NA	PeJP	NA	NA
+PJ084402	SSSSSDDDE 	C32H49N9O23	927.2942	NA	PeJP	NA	NA
+PJ084403	SSNDDEMM 	C33H53N9O18S2	927.295	NA	PeJP	NA	NA
+PJ084404	SCDDYYY 	C41H49N7O16S	927.2957	NA	PeJP	NA	NA
+PJ084405	SPCNDMMM 	C34H57N9O13S4	927.2959	NA	PeJP	NA	NA
+PJ084406	GCNDDMHH 	C34H49N13O14S2	927.2964	NA	PeJP	NA	NA
+PJ084407	CCDMFFY 	C42H53N7O11S3	927.2966	NA	PeJP	NA	NA
+PJ084408	GCCCCHFR 	C35H53N13O9S4	927.2973	NA	PeJP	NA	NA
+PJ084409	DDEEEEY 	C37H49N7O21	927.2982	NA	PeJP	NA	NA
+PJ084410	SCCCNNER 	C31H53N13O14S3	927.2997	NA	PeJP	NA	NA
+PJ084411	GGSCCCNER 	C31H53N13O14S3	927.2998	NA	PeJP	NA	NA
+PJ084412	SCMMMYY 	C39H57N7O11S4	927.2999	NA	PeJP	NA	NA
+PJ084413	EEEEMMM 	C35H57N7O16S3	927.3024	NA	PeJP	NA	NA
+PJ084414	GCNNNDEY 	C35H49N11O17S	927.3029	NA	PeJP	NA	NA
+PJ084415	CCDDMRW 	C36H53N11O12S3	927.3038	NA	PeJP	NA	NA
+PJ084416	SSCDDDMR 	C32H53N11O17S2	927.3063	NA	PeJP	NA	NA
+PJ084417	CNDDEFW 	C40H49N9O15S	927.3069	NA	PeJP	NA	NA
+PJ084418	SPCCCEMR 	C33H57N11O12S4	927.3071	NA	PeJP	NA	NA
+PJ084419	GGGGGCQMMM 	C33H57N11O12S4	927.3072	NA	PeJP	NA	NA
+PJ084420	SCCNNNHH 	C33H49N15O13S2	927.3076	NA	PeJP	NA	NA
+PJ084421	GCDMMWW 	C41H53N9O10S3	927.3078	NA	PeJP	NA	NA
+PJ084422	GSNDDEEY 	C36H49N9O20	927.3094	NA	PeJP	NA	NA
+PJ084423	GSSDDMMW 	C37H53N9O15S2	927.3103	NA	PeJP	NA	NA
+PJ084424	GPTCCMMW 	C38H57N9O10S4	927.3112	NA	PeJP	NA	NA
+PJ084425	CCNEHHW 	C38H49N13O11S2	927.3116	NA	PeJP	NA	NA
+PJ084426	GSSSSDEEM 	C33H53N9O20S	927.3128	NA	PeJP	NA	NA
+PJ084427	GSNEEMMM 	C34H57N9O15S3	927.3137	NA	PeJP	NA	NA
+PJ084428	SSCNDEHH 	C34H49N13O16S	927.3141	NA	PeJP	NA	NA
+PJ084429	GGGGPCNDDH 	C34H49N13O16S	927.3142	NA	PeJP	NA	NA
+PJ084430	GCEMYYY 	C42H53N7O13S2	927.3143	NA	PeJP	NA	NA
+PJ084431	GPCQMMMM 	C35H61N9O10S5	927.3145	NA	PeJP	NA	NA
+PJ084432	GSCCCNRW 	C35H53N13O11S3	927.315	NA	PeJP	NA	NA
+PJ084433	CCMMFFF 	C43H57N7O8S4	927.3152	NA	PeJP	NA	NA
+PJ084434	DEEEEMF 	C38H53N7O18S	927.3168	NA	PeJP	NA	NA
+PJ084435	GSSSCCNDR 	C31H53N13O16S2	927.3175	NA	PeJP	NA	NA
+PJ084436	CNNNDYW 	C39H49N11O14S	927.3181	NA	PeJP	NA	NA
+PJ084437	GGCNNDYW 	C39H49N11O14S	927.3182	NA	PeJP	NA	NA
+PJ084438	GCCNNMMR 	C32H57N13O11S4	927.3184	NA	PeJP	NA	NA
+PJ084439	SSNNNDDY 	C35H49N11O19	927.3206	NA	PeJP	NA	NA
+PJ084440	GGSSNNDDY 	C35H49N11O19	927.3207	NA	PeJP	NA	NA
+PJ084441	SSSCNNMW 	C36H53N11O14S2	927.3215	NA	PeJP	NA	NA
+PJ084442	GGGGGGGCEMF 	C36H53N11O14S2	927.3216	NA	PeJP	NA	NA
+PJ084443	GCDDFWW 	C44H49N9O12S	927.3222	NA	PeJP	NA	NA
+PJ084444	PPCCCCFR 	C37H57N11O9S4	927.3224	NA	PeJP	NA	NA
+PJ084445	SSSSSNNDM 	C32H53N11O19S	927.324	NA	PeJP	NA	NA
+PJ084446	SNDDEYW 	C40H49N9O17	927.3247	NA	PeJP	NA	NA
+PJ084447	GSCDEMMR 	C33H57N11O14S3	927.3249	NA	PeJP	NA	NA
+PJ084448	SSCEMWW 	C41H53N9O12S2	927.3255	NA	PeJP	NA	NA
+PJ084449	GGPCDMYW 	C41H53N9O12S2	927.3256	NA	PeJP	NA	NA
+PJ084450	GPCCMMMR 	C34H61N11O9S5	927.3258	NA	PeJP	NA	NA
+PJ084451	GCCHHWW 	C42H49N13O8S2	927.3269	NA	PeJP	NA	NA
+PJ084452	SSSSDEMW 	C37H53N9O17S	927.328	NA	PeJP	NA	NA
+PJ084453	GGNEEEMY 	C37H53N9O17S	927.3281	NA	PeJP	NA	NA
+PJ084454	SNEMMMW 	C38H57N9O12S3	927.3289	NA	PeJP	NA	NA
+PJ084455	GSSCDHHW 	C38H49N13O13S	927.3294	NA	PeJP	NA	NA
+PJ084456	CMYYYW 	C46H53N7O10S2	927.3296	NA	PeJP	NA	NA
+PJ084457	SSSSSSEEE 	C33H53N9O22	927.3305	NA	PeJP	NA	NA
+PJ084458	SSSQEEMM 	C34H57N9O17S2	927.3314	NA	PeJP	NA	NA
+PJ084459	GSSSSDDHH 	C34H49N13O18	927.3319	NA	PeJP	NA	NA
+PJ084460	SSDMYYY 	C42H53N7O15S	927.3321	NA	PeJP	NA	NA
+PJ084461	QQEMMMM 	C35H61N9O12S4	927.3323	NA	PeJP	NA	NA
+PJ084462	GCCNNDFR 	C35H53N13O13S2	927.3328	NA	PeJP	NA	NA
+PJ084463	ACMMFYY 	C43H57N7O10S3	927.3329	NA	PeJP	NA	NA
+PJ084464	TEEEEEY 	C38H53N7O20	927.3346	NA	PeJP	NA	NA
+PJ084465	PEEEMMY 	C39H57N7O15S2	927.3354	NA	PeJP	NA	NA
+PJ084466	GSPDDDHW 	C39H49N11O16	927.3359	NA	PeJP	NA	NA
+PJ084467	SSCCNQMR 	C32H57N13O13S3	927.3361	NA	PeJP	NA	NA
+PJ084468	CNNNMFW 	C40H53N11O11S2	927.3368	NA	PeJP	NA	NA
+PJ084469	GSSSSSCQW 	C36H53N11O16S	927.3393	NA	PeJP	NA	NA
+PJ084470	GSDDYWW 	C44H49N9O14	927.3399	NA	PeJP	NA	NA
+PJ084471	SCDMMRW 	C37H57N11O11S3	927.3401	NA	PeJP	NA	NA
+PJ084472	TCCEMRW 	C37H57N11O11S3	927.3402	NA	PeJP	NA	NA
+PJ084473	DDMHHHH 	C37H49N15O12S	927.3406	NA	PeJP	NA	NA
+PJ084474	APCCYWW 	C45H53N9O9S2	927.3408	NA	PeJP	NA	NA
+PJ084475	GSSSSSSSNE 	C32H53N11O21	927.3418	NA	PeJP	NA	NA
+PJ084476	GSSSSNQMM 	C33H57N11O16S2	927.3426	NA	PeJP	NA	NA
+PJ084477	SSSDDMMR 	C33H57N11O16S2	927.3427	NA	PeJP	NA	NA
+PJ084478	SNNNNNDH 	C33H49N15O17	927.3431	NA	PeJP	NA	NA
+PJ084479	GGGGGGGGSNDH 	C33H49N15O17	927.3432	NA	PeJP	NA	NA
+PJ084480	GNEEMYW 	C41H53N9O14S	927.3433	NA	PeJP	NA	NA
+PJ084481	NDMMMMR 	C34H61N11O11S4	927.3435	NA	PeJP	NA	NA
+PJ084482	GSCCEHHR 	C34H53N15O12S2	927.344	NA	PeJP	NA	NA
+PJ084483	GSMMMWW 	C42H57N9O9S3	927.3442	NA	PeJP	NA	NA
+PJ084484	GSSQEEEY 	C37H53N9O19	927.3458	NA	PeJP	NA	NA
+PJ084485	GSSTEMMW 	C38H57N9O14S2	927.3467	NA	PeJP	NA	NA
+PJ084486	NNNDEHW 	C38H49N13O15	927.3471	NA	PeJP	NA	NA
+PJ084487	GGNNDEHW 	C38H49N13O15	927.3472	NA	PeJP	NA	NA
+PJ084488	GPCYYYY 	C46H53N7O12S	927.3473	NA	PeJP	NA	NA
+PJ084489	SSCCCNRR 	C31H57N15O12S3	927.3474	NA	PeJP	NA	NA
+PJ084490	AQMMMMW 	C39H61N9O9S4	927.3475	NA	PeJP	NA	NA
+PJ084491	GAAMMMMW 	C39H61N9O9S4	927.3476	NA	PeJP	NA	NA
+PJ084492	SCQMHHW 	C39H53N13O10S2	927.348	NA	PeJP	NA	NA
+PJ084493	GSSSTTEEM 	C34H57N9O19S	927.3492	NA	PeJP	NA	NA
+PJ084494	PDEEEFY 	C42H53N7O17	927.3498	NA	PeJP	NA	NA
+PJ084495	GTTQEMMM 	C35H61N9O14S3	927.35	NA	PeJP	NA	NA
+PJ084496	GSDKEMMM 	C35H61N9O14S3	927.3501	NA	PeJP	NA	NA
+PJ084497	GSCNNDRY 	C35H53N13O15S	927.3505	NA	PeJP	NA	NA
+PJ084498	GTMMYYY 	C43H57N7O12S2	927.3507	NA	PeJP	NA	NA
+PJ084499	GPCKMMMM 	C36H65N9O9S5	927.3509	NA	PeJP	NA	NA
+PJ084500	NQMMMHH 	C36H57N13O10S3	927.3514	NA	PeJP	NA	NA
+PJ084501	GSCNHHHH 	C36H49N17O11S	927.3519	NA	PeJP	NA	NA
+PJ084502	PPCCHWW 	C44H53N11O8S2	927.352	NA	PeJP	NA	NA
+PJ084503	VEEEEMY 	C39H57N7O17S	927.3532	NA	PeJP	NA	NA
+PJ084504	GSSSSCNMR 	C32H57N13O15S2	927.3539	NA	PeJP	NA	NA
+PJ084505	GCDERYW 	C40H53N11O13S	927.3545	NA	PeJP	NA	NA
+PJ084506	GGGGGGSMYW 	C40H53N11O13S	927.3546	NA	PeJP	NA	NA
+PJ084507	CCEMMRR 	C33H61N13O10S4	927.3548	NA	PeJP	NA	NA
+PJ084508	SSSSSSSNW 	C36H53N11O18	927.357	NA	PeJP	NA	NA
+MJ097934	Alterobactin A 	C36H53N11O18	927.357003	NA	MeJP	NA	NA
+PJ084509	GGGGGGSSTEY 	C36H53N11O18	927.3571	NA	PeJP	NA	NA
+PJ084510	SSSCCQKW 	C37H57N11O13S2	927.3579	NA	PeJP	NA	NA
+PJ084511	GPNDDHHH 	C37H49N15O14	927.3584	NA	PeJP	NA	NA
+MJ097935	Cyclo[L-?-aspartyl-2-(2-thienyl)glycyl-L-leucyl-D-tryptophyl-D-?-aspartyl-?-amino-?-oxo-4-phenyl-1-piperazinebutanoyl] 	C45H53N9O11S	927.358524	NA	MeJP	NA	NA
+PJ084512	NEMYWW 	C45H53N9O11S	927.3586	NA	PeJP	NA	NA
+PJ084513	ACMMMRW 	C38H61N11O8S4	927.3588	NA	PeJP	NA	NA
+PJ084514	SCCHHRW 	C38H53N15O9S2	927.3592	NA	PeJP	NA	NA
+PJ084515	SSSSSSQQM 	C33H57N11O18S	927.3604	NA	PeJP	NA	NA
+PJ084516	SSQEEYW 	C41H53N9O16	927.361	NA	PeJP	NA	NA
+PJ084517	GGSTEEYW 	C41H53N9O16	927.3611	NA	PeJP	NA	NA
+PJ084518	GSSEMMMR 	C34H61N11O13S3	927.3613	NA	PeJP	NA	NA
+PJ084519	GNNNNQMH 	C34H53N15O14S	927.3617	NA	PeJP	NA	NA
+PJ084520	SSSCDHHR 	C34H53N15O14S	927.3618	NA	PeJP	NA	NA
+PJ084521	SSTMMWW 	C42H57N9O11S2	927.3619	NA	PeJP	NA	NA
+PJ084522	GNNDHWW 	C42H49N13O12	927.3624	NA	PeJP	NA	NA
+PJ084523	CFFYYW 	C50H53N7O9S	927.3626	NA	PeJP	NA	NA
+PJ084524	SSSTTEMW 	C38H57N9O16S	927.3644	NA	PeJP	NA	NA
+PJ084525	GGPPPDEEM 	C38H57N9O16S	927.3645	NA	PeJP	NA	NA
+PJ084526	QEYYYY 	C46H53N7O14	927.3651	NA	PeJP	NA	NA
+PJ084527	SDKMMMW 	C39H61N9O11S3	927.3653	NA	PeJP	NA	NA
+PJ084528	PCDDHRW 	C39H53N13O12S	927.3658	NA	PeJP	NA	NA
+PJ084529	ACMFFFY 	C47H57N7O9S2	927.3659	NA	PeJP	NA	NA
+PJ084530	GCCCCKRR 	C32H61N15O9S4	927.366	NA	PeJP	NA	NA
+PJ084531	SSSSTTTEE 	C34H57N9O21	927.3669	NA	PeJP	NA	NA
+PJ084532	SSSKEEMM 	C35H61N9O16S2	927.3678	NA	PeJP	NA	NA
+PJ084533	NDEEEHR 	C35H53N13O17	927.3683	NA	PeJP	NA	NA
+PJ084534	STTMYYY 	C43H57N7O14S	927.3684	NA	PeJP	NA	NA
+PJ084535	PPEEMYY 	C43H57N7O14S	927.3685	NA	PeJP	NA	NA
+PJ084536	QKEMMMM 	C36H65N9O11S4	927.3687	NA	PeJP	NA	NA
+PJ084537	CNNQMRY 	C36H57N13O12S2	927.3691	NA	PeJP	NA	NA
+PJ084538	GGGGCQMRY 	C36H57N13O12S2	927.3692	NA	PeJP	NA	NA
+PJ084539	CDRYWW 	C44H53N11O10S	927.3698	NA	PeJP	NA	NA
+PJ084540	SSSSSSCQR 	C32H57N13O17S	927.3716	NA	PeJP	NA	NA
+PJ084541	LEEEMMF 	C40H61N7O14S2	927.3718	NA	PeJP	NA	NA
+PJ084542	SSDDRYW 	C40H53N11O15	927.3723	NA	PeJP	NA	NA
+PJ084543	SSCCNKMR 	C33H61N13O12S3	927.3725	NA	PeJP	NA	NA
+PJ084544	GCNNNNHR 	C33H53N17O13S	927.373	NA	PeJP	NA	NA
+PJ084545	PTCCRYW 	C41H57N11O10S2	927.3732	NA	PeJP	NA	NA
+PJ084546	GMYWWW 	C49H53N9O8S	927.3738	NA	PeJP	NA	NA
+PJ084547	GSSSSSCKW 	C37H57N11O15S	927.3757	NA	PeJP	NA	NA
+PJ084548	GSTEYWW 	C45H53N9O13	927.3763	NA	PeJP	NA	NA
+PJ084549	SSMMMRW 	C38H61N11O10S3	927.3765	NA	PeJP	NA	NA
+PJ084550	GGAPPMMMH 	C38H61N11O10S3	927.3766	NA	PeJP	NA	NA
+PJ084551	CNDHHFR 	C38H53N15O11S	927.377	NA	PeJP	NA	NA
+PJ084552	QMMFWW 	C46H57N9O8S2	927.3772	NA	PeJP	NA	NA
+PJ084553	GSSSSSSSDK 	C33H57N11O20	927.3782	NA	PeJP	NA	NA
+PJ084554	SSSTEMMR 	C34H61N11O15S2	927.379	NA	PeJP	NA	NA
+PJ084555	DDDDHRR 	C34H53N15O16	927.3795	NA	PeJP	NA	NA
+PJ084556	GGGGGGGGGGGGPQ 	C34H53N15O16	927.3796	NA	PeJP	NA	NA
+PJ084557	GDKEMYW 	C42H57N9O13S	927.3797	NA	PeJP	NA	NA
+PJ084558	TQMMMMR 	C35H65N11O10S4	927.3799	NA	PeJP	NA	NA
+PJ084559	AYYYYW 	C50H53N7O11	927.3803	NA	PeJP	NA	NA
+PJ084560	CCNNRRY 	C35H57N15O11S2	927.3804	NA	PeJP	NA	NA
+PJ084561	CLMMHFF 	C43H61N9O8S3	927.3806	NA	PeJP	NA	NA
+PJ084562	GNMHHFW 	C43H53N13O9S	927.381	NA	PeJP	NA	NA
+PJ084563	GSSKEEEY 	C38H57N9O18	927.3822	NA	PeJP	NA	NA
+PJ084564	SSSSLMMW 	C39H61N9O13S2	927.3831	NA	PeJP	NA	NA
+PJ084565	GDEEHRW 	C39H53N13O14	927.3835	NA	PeJP	NA	NA
+PJ084566	GGGGGATEHW 	C39H53N13O14	927.3836	NA	PeJP	NA	NA
+PJ084567	AAMFYYY 	C47H57N7O11S	927.3837	NA	PeJP	NA	NA
+PJ084568	AKMMMMW 	C40H65N9O8S4	927.3839	NA	PeJP	NA	NA
+PJ084569	SCKMHHW 	C40H57N13O9S2	927.3844	NA	PeJP	NA	NA
+PJ084570	SSSSSTLEM 	C35H61N9O18S	927.3855	NA	PeJP	NA	NA
+PJ084571	GSTTTTTEM 	C35H61N9O18S	927.3856	NA	PeJP	NA	NA
+PJ084572	PVEEEYY 	C43H57N7O16	927.3862	NA	PeJP	NA	NA
+PJ084573	GTTKEMMM 	C36H65N9O13S3	927.3864	NA	PeJP	NA	NA
+PJ084574	SCDERRY 	C36H57N13O14S	927.3869	NA	PeJP	NA	NA
+PJ084575	GNNQFYW 	C44H53N11O12	927.3875	NA	PeJP	NA	NA
+PJ084576	AAEEHWW 	C44H53N11O12	927.3876	NA	PeJP	NA	NA
+PJ084577	PCCMRRY 	C37H61N13O9S3	927.3878	NA	PeJP	NA	NA
+PJ084578	CMFRWW 	C45H57N11O7S2	927.3884	NA	PeJP	NA	NA
+PJ084579	GSSSSSSSSR 	C32H57N13O19	927.3894	NA	PeJP	NA	NA
+PJ084580	GSSSTCCKR 	C33H61N13O14S2	927.3903	NA	PeJP	NA	NA
+PJ084581	GSEMRYW 	C41H57N11O12S	927.3909	NA	PeJP	NA	NA
+PJ084582	GGGGGGAAMFF 	C41H57N11O12S	927.391	NA	PeJP	NA	NA
+PJ084583	TCMMMRR 	C34H65N13O9S4	927.3911	NA	PeJP	NA	NA
+PJ084584	GCCCKKMR 	C34H65N13O9S4	927.3912	NA	PeJP	NA	NA
+PJ084585	STYWWW 	C49H53N9O10	927.3916	NA	PeJP	NA	NA
+PJ084586	GSSTEERY 	C37H57N11O17	927.3934	NA	PeJP	NA	NA
+PJ084587	GGGGGAPPTEE 	C37H57N11O17	927.3935	NA	PeJP	NA	NA
+PJ084588	SSSCCKKW 	C38H61N11O12S2	927.3943	NA	PeJP	NA	NA
+PJ084589	SNNDHRW 	C38H53N15O13	927.3948	NA	PeJP	NA	NA
+PJ084590	DKMYWW 	C46H57N9O10S	927.3949	NA	PeJP	NA	NA
+PJ084591	PPPDMWW 	C46H57N9O10S	927.395	NA	PeJP	NA	NA
+PJ084592	VMMHHHH 	C39H57N15O8S2	927.3956	NA	PeJP	NA	NA
+PJ084593	SHHHHHH 	C39H49N19O9	927.3961	NA	PeJP	NA	NA
+PJ084594	SSSSSSQKM 	C34H61N11O17S	927.3968	NA	PeJP	NA	NA
+PJ084595	SSKEEYW 	C42H57N9O15	927.3974	NA	PeJP	NA	NA
+PJ084596	AAPPEEEW 	C42H57N9O15	927.3975	NA	PeJP	NA	NA
+PJ084597	GTTTMMMR 	C35H65N11O12S3	927.3977	NA	PeJP	NA	NA
+PJ084598	SSSSMHHR 	C35H57N15O13S	927.3981	NA	PeJP	NA	NA
+PJ084599	GGGGQEMHR 	C35H57N15O13S	927.3982	NA	PeJP	NA	NA
+PJ084600	GLQMMYW 	C43H61N9O10S2	927.3983	NA	PeJP	NA	NA
+PJ084601	DEHRWW 	C43H53N13O11	927.3988	NA	PeJP	NA	NA
+PJ084602	ACFFFFF 	C51H57N7O8S	927.399	NA	PeJP	NA	NA
+PJ084603	STTTTTMW 	C39H61N9O15S	927.4008	NA	PeJP	NA	NA
+PJ084604	KEYYYY 	C47H57N7O13	927.4015	NA	PeJP	NA	NA
+PJ084605	TTKMMMW 	C40H65N9O10S3	927.4017	NA	PeJP	NA	NA
+PJ084606	AQQQMHW 	C40H57N13O11S	927.4021	NA	PeJP	NA	NA
+PJ084607	SPDMHRW 	C40H57N13O11S	927.4022	NA	PeJP	NA	NA
+PJ084608	VDHWWW 	C48H53N11O9	927.4028	NA	PeJP	NA	NA
+PJ084609	SSTTTTTTE 	C35H61N9O20	927.4033	NA	PeJP	NA	NA
+PJ084610	STTTKEMM 	C36H65N9O15S2	927.4042	NA	PeJP	NA	NA
+PJ084611	SSSSNQRY 	C36H57N13O16	927.4046	NA	PeJP	NA	NA
+PJ084612	GGSSSSQRY 	C36H57N13O16	927.4047	NA	PeJP	NA	NA
+PJ084613	PLEEMFY 	C44H61N7O13S	927.4048	NA	PeJP	NA	NA
+PJ084614	KKEMMMM 	C37H69N9O10S4	927.4051	NA	PeJP	NA	NA
+PJ084615	GDMMRRY 	C37H61N13O11S2	927.4055	NA	PeJP	NA	NA
+PJ084616	GGGGPPPCMR 	C37H61N13O11S2	927.4056	NA	PeJP	NA	NA
+PJ084617	NQQQHHH 	C37H53N17O12	927.406	NA	PeJP	NA	NA
+PJ084618	SMRYWW 	C45H57N11O9S	927.4062	NA	PeJP	NA	NA
+PJ084619	GFFWWW 	C53H53N9O7	927.4068	NA	PeJP	NA	NA
+PJ084620	SSSSSSCKR 	C33H61N13O16S	927.408	NA	PeJP	NA	NA
+PJ084621	LLEEMMY 	C41H65N7O13S2	927.4082	NA	PeJP	NA	NA
+PJ084622	SSTERYW 	C41H57N11O14	927.4087	NA	PeJP	NA	NA
+PJ084623	STCCCKKR 	C34H65N13O11S3	927.4089	NA	PeJP	NA	NA
+PJ084624	CNNEHRR 	C34H57N17O12S	927.4094	NA	PeJP	NA	NA
+PJ084625	AVCMRYW 	C42H61N11O9S2	927.4095	NA	PeJP	NA	NA
+PJ084626	AAMMRYW 	C42H61N11O9S2	927.4096	NA	PeJP	NA	NA
+PJ084627	SPQHHHW 	C42H53N15O10	927.41	NA	PeJP	NA	NA
+PJ084628	TTQEMRY 	C38H61N11O14S	927.412	NA	PeJP	NA	NA
+PJ084629	SDKEMRY 	C38H61N11O14S	927.4121	NA	PeJP	NA	NA
+PJ084630	SSSLYWW 	C46H57N9O12	927.4127	NA	PeJP	NA	NA
+PJ084631	PCKMMRY 	C39H65N11O9S3	927.4129	NA	PeJP	NA	NA
+PJ084632	GNQMHRW 	C39H57N15O10S	927.4134	NA	PeJP	NA	NA
+PJ084633	KMMFWW 	C47H61N9O7S2	927.4136	NA	PeJP	NA	NA
+PJ084634	GHHHFFF 	C47H53N13O8	927.4141	NA	PeJP	NA	NA
+PJ084635	GSSSSSSTTK 	C34H61N11O19	927.4145	NA	PeJP	NA	NA
+PJ084636	STTTTMMR 	C35H65N11O14S2	927.4154	NA	PeJP	NA	NA
+PJ084637	SDEEHRR 	C35H57N15O15	927.4159	NA	PeJP	NA	NA
+PJ084638	ATKEMYW 	C43H61N9O12S	927.4161	NA	PeJP	NA	NA
+PJ084639	TKMMMMR 	C36H69N11O9S4	927.4163	NA	PeJP	NA	NA
+PJ084640	AAFFFYY 	C51H57N7O10	927.4167	NA	PeJP	NA	NA
+PJ084641	PCEMHRR 	C36H61N15O10S2	927.4168	NA	PeJP	NA	NA
+PJ084642	NNNHHHR 	C36H53N19O11	927.4172	NA	PeJP	NA	NA
+PJ084643	GGGGNHHHR 	C36H53N19O11	927.4173	NA	PeJP	NA	NA
+PJ084644	ACKHHFW 	C44H57N13O8S	927.4174	NA	PeJP	NA	NA
+PJ084645	GTTTKEEY 	C39H61N9O17	927.4186	NA	PeJP	NA	NA
+PJ084646	VQKEMMY 	C40H65N9O12S2	927.4194	NA	PeJP	NA	NA
+PJ084647	GGLKEMMY 	C40H65N9O12S2	927.4195	NA	PeJP	NA	NA
+PJ084648	ATEEHRW 	C40H57N13O13	927.4199	NA	PeJP	NA	NA
+PJ084649	GGGGGGGGGPLW 	C40H57N13O13	927.42	NA	PeJP	NA	NA
+PJ084650	APMMHRW 	C41H61N13O8S2	927.4208	NA	PeJP	NA	NA
+PJ084651	SSSTTTTLM 	C36H65N9O17S	927.4219	NA	PeJP	NA	NA
+PJ084652	VLEEEFY 	C44H61N7O15	927.4226	NA	PeJP	NA	NA
+PJ084653	SSTLKMMM 	C37H69N9O12S3	927.4228	NA	PeJP	NA	NA
+PJ084654	SSEMRRY 	C37H61N13O13S	927.4233	NA	PeJP	NA	NA
+PJ084655	GTLEHWW 	C45H57N11O11	927.4239	NA	PeJP	NA	NA
+PJ084656	GGAASPPWW 	C45H57N11O11	927.424	NA	PeJP	NA	NA
+PJ084657	GMMMFRR 	C38H65N13O8S3	927.4242	NA	PeJP	NA	NA
+PJ084658	GCNHRRW 	C38H57N17O9S	927.4246	NA	PeJP	NA	NA
+PJ084659	GSSNDHRR 	C34H57N17O14	927.4271	NA	PeJP	NA	NA
+PJ084660	ATTMRYW 	C42H61N11O11S	927.4273	NA	PeJP	NA	NA
+PJ084661	VQFYWW 	C50H57N9O9	927.428	NA	PeJP	NA	NA
+PJ084662	SSSSLERY 	C38H61N11O16	927.4298	NA	PeJP	NA	NA
+PJ084663	AKEMMRY 	C39H65N11O11S2	927.4307	NA	PeJP	NA	NA
+PJ084664	SSQQHRW 	C39H57N15O12	927.4311	NA	PeJP	NA	NA
+PJ084665	GGSTQHRW 	C39H57N15O12	927.4312	NA	PeJP	NA	NA
+PJ084666	GPKMFYW 	C47H61N9O9S	927.4313	NA	PeJP	NA	NA
+MJ097936	Liposidomycin; Liposidomycin Y-I, 8,9-Dihydro, desulfo 	C42H65N5O18	927.43246	NA	MeJP	NA	NA
+PJ084667	SSSSSSKKM 	C35H65N11O16S	927.4332	NA	PeJP	NA	NA
+PJ084668	TTTKEYW 	C43H61N9O14	927.4338	NA	PeJP	NA	NA
+PJ084669	GGPPPLDEF 	C43H61N9O14	927.4339	NA	PeJP	NA	NA
+PJ084670	STCCKKKM 	C36H69N11O11S3	927.4341	NA	PeJP	NA	NA
+PJ084671	AEEMHRR 	C36H61N15O12S	927.4345	NA	PeJP	NA	NA
+PJ084672	GGGGGGACKKH 	C36H61N15O12S	927.4346	NA	PeJP	NA	NA
+PJ084673	GLKMMYW 	C44H65N9O9S2	927.4347	NA	PeJP	NA	NA
+PJ084674	GSQKHWW 	C44H57N13O10	927.4352	NA	PeJP	NA	NA
+PJ084675	TKKEEMY 	C40H65N9O14S	927.4372	NA	PeJP	NA	NA
+PJ084676	PPLEFYY 	C48H61N7O12	927.4379	NA	PeJP	NA	NA
+PJ084677	PKKMMMY 	C41H69N9O9S3	927.4381	NA	PeJP	NA	NA
+PJ084678	AVEMHRW 	C41H61N13O10S	927.4385	NA	PeJP	NA	NA
+PJ084679	GLEMHRW 	C41H61N13O10S	927.4386	NA	PeJP	NA	NA
+PJ084680	TLHWWW 	C49H57N11O8	927.4392	NA	PeJP	NA	NA
+PJ084681	TTTTTTTTT 	C36H65N9O19	927.4397	NA	PeJP	NA	NA
+PJ084682	SSSSNKRY 	C37H61N13O15	927.441	NA	PeJP	NA	NA
+PJ084683	GSTLEEHR 	C37H61N13O15	927.4411	NA	PeJP	NA	NA
+PJ084684	PLLEMYY 	C45H65N7O12S	927.4412	NA	PeJP	NA	NA
+PJ084685	ATMMRRY 	C38H65N13O10S2	927.4419	NA	PeJP	NA	NA
+PJ084686	VNEHHHR 	C38H57N17O11	927.4424	NA	PeJP	NA	NA
+PJ084687	GVLMHWW 	C46H61N11O8S	927.4426	NA	PeJP	NA	NA
+PJ084688	TTTTRYW 	C42H61N11O13	927.4451	NA	PeJP	NA	NA
+PJ084689	SNQMHRR 	C35H61N17O11S	927.4457	NA	PeJP	NA	NA
+PJ084690	GGSQMHRR 	C35H61N17O11S	927.4458	NA	PeJP	NA	NA
+PJ084691	PVKMMHW 	C43H65N11O8S2	927.4459	NA	PeJP	NA	NA
+PJ084692	SPKHHHW 	C43H57N15O9	927.4464	NA	PeJP	NA	NA
+PJ084693	TTKEMRY 	C39H65N11O13S	927.4484	NA	PeJP	NA	NA
+PJ084694	GPPLEEMR 	C39H65N11O13S	927.4485	NA	PeJP	NA	NA
+PJ084695	PPTLEWW 	C47H61N9O11	927.4491	NA	PeJP	NA	NA
+PJ084696	CLKMMFR 	C40H69N11O8S3	927.4493	NA	PeJP	NA	NA
+PJ084697	PPCNRRW 	C40H61N15O9S	927.4498	NA	PeJP	NA	NA
+PJ084698	PHFRWW 	C48H57N13O7	927.4504	NA	PeJP	NA	NA
+PJ084699	TTEEHRR 	C36H61N15O14	927.4523	NA	PeJP	NA	NA
+PJ084700	STLKMYW 	C44H65N9O11S	927.4524	NA	PeJP	NA	NA
+PJ084701	VTTKMYW 	C44H65N9O11S	927.4525	NA	PeJP	NA	NA
+PJ084702	PTMMHRR 	C37H65N15O9S2	927.4532	NA	PeJP	NA	NA
+PJ084703	GEHHHRR 	C37H57N19O10	927.4536	NA	PeJP	NA	NA
+PJ084704	LMHRWW 	C45H61N13O7S	927.4538	NA	PeJP	NA	NA
+PJ084705	TTTTTLQY 	C40H65N9O16	927.4549	NA	PeJP	NA	NA
+PJ084706	SSTTLKEY 	C40H65N9O16	927.455	NA	PeJP	NA	NA
+PJ084707	VKKEMMY 	C41H69N9O11S2	927.4558	NA	PeJP	NA	NA
+PJ084708	STLEHRW 	C41H61N13O12	927.4563	NA	PeJP	NA	NA
+PJ084709	SCNHRRR 	C34H61N19O10S	927.457	NA	PeJP	NA	NA
+PJ084710	GVHHHRW 	C42H57N17O8	927.4577	NA	PeJP	NA	NA
+PJ084711	VLLEEYY 	C45H65N7O14	927.459	NA	PeJP	NA	NA
+PJ084712	TTTMRRY 	C38H65N13O12S	927.4597	NA	PeJP	NA	NA
+PJ084713	SSLLHWW 	C46H61N11O10	927.4603	NA	PeJP	NA	NA
+PJ084714	PNDDRRR 	C35H61N17O13	927.4635	NA	PeJP	NA	NA
+PJ084715	PPLEMRW 	C43H65N11O10S	927.4637	NA	PeJP	NA	NA
+PJ084716	VKFYWW 	C51H61N9O8	927.4643	NA	PeJP	NA	NA
+PJ084717	PPPVFWW 	C51H61N9O8	927.4644	NA	PeJP	NA	NA
+PJ084718	SSTTTLRY 	C39H65N11O15	927.4662	NA	PeJP	NA	NA
+PJ084719	SLKMMRY 	C40H69N11O10S2	927.4671	NA	PeJP	NA	NA
+PJ084720	GPQERRW 	C40H61N15O11	927.4675	NA	PeJP	NA	NA
+PJ084721	GGAPERRW 	C40H61N15O11	927.4676	NA	PeJP	NA	NA
+PJ084722	PPVLMWW 	C48H65N9O8S	927.4677	NA	PeJP	NA	NA
+8233	Antioxidative peptide	AGWNIPIGT	927.4679	NA  ;SYN:(2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; 2-Amino-3-hydroxybutanoate; 2-Amino-3-hydroxybutanoic acid; 2-Amino-3-hydroxybutyrate; 2-Amino-3-hydroxybutyric acid; L-(-)-Threonine; L-2-Amino-3-hydroxybutyrate; L-2-Amino-3-hydroxybutyric acid; L-alpha-Amino-beta-hydroxybutyrate; L-alpha-Amino-beta-hydroxybutyric acid;  Threonin; Threonine; [R-(R*,S*)]-2-Amino-3-hydroxybutanoate; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoate; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ084723	HHHRRW 	C41H57N19O7	927.4689	NA	PeJP	NA	NA
+PJ084724	AAPLLEEW 	C44H65N9O13	927.4702	NA	PeJP	NA	NA
+PJ084725	SLEMHRR 	C37H65N15O11S	927.4709	NA	PeJP	NA	NA
+PJ084726	PKKMMFF 	C45H69N9O8S2	927.4711	NA	PeJP	NA	NA
+PJ084727	GPVQRWW 	C45H61N13O9	927.4716	NA	PeJP	NA	NA
+PJ084728	SSSLLKMY 	C41H69N9O13S	927.4736	NA	PeJP	NA	NA
+PJ084729	PPLLYYY 	C49H65N7O11	927.4742	NA	PeJP	NA	NA
+PJ084730	LKKMMMF 	C42H73N9O8S3	927.4745	NA	PeJP	NA	NA
+PJ084731	SVLMHRW 	C42H65N13O9S	927.4749	NA	PeJP	NA	NA
+PJ084732	PLEEERR 	C38H65N13O14	927.4774	NA	PeJP	NA	NA
+PJ084733	GGGPLDKER 	C38H65N13O14	927.4775	NA	PeJP	NA	NA
+PJ084734	LLLEMFY 	C46H69N7O11S	927.4776	NA	PeJP	NA	NA
+PJ084735	CCKKKRY 	C39H69N13O9S2	927.4783	NA	PeJP	NA	NA
+PJ084736	GQQHFRR 	C39H61N17O10	927.4788	NA	PeJP	NA	NA
+PJ084737	PLQQKEW 	C43H65N11O12	927.4814	NA	PeJP	NA	NA
+PJ084738	PVLEERW 	C43H65N11O12	927.4815	NA	PeJP	NA	NA
+PJ084739	SNKMHRR 	C36H65N17O10S	927.4821	NA	PeJP	NA	NA
+PJ084740	GSPPCRRR 	C36H65N17O10S	927.4822	NA	PeJP	NA	NA
+PJ084741	PQRRWW 	C44H61N15O8	927.4828	NA	PeJP	NA	NA
+MJ097937	Kabiramide C; 14-De-O-Me 	C47H69N5O14	927.484101	NA	MeJP	NA	NA
+PJ084742	GSSKKKMY 	C40H69N11O12S	927.4848	NA	PeJP	NA	NA
+PJ084743	GGGGGGPLLLM 	C40H69N11O12S	927.4849	NA	PeJP	NA	NA
+PJ084744	PVVLEWW 	C48H65N9O10	927.4855	NA	PeJP	NA	NA
+PJ084745	ACKKHRW 	C41H65N15O8S	927.4862	NA	PeJP	NA	NA
+PJ084746	PNKEERR 	C37H65N15O13	927.4887	NA	PeJP	NA	NA
+PJ084747	PVKKMYY 	C45H69N9O10S	927.4888	NA	PeJP	NA	NA
+PJ084748	APPTLLMW 	C45H69N9O10S	927.4889	NA	PeJP	NA	NA
+PJ084749	VVMMHRR 	C38H69N15O8S2	927.4895	NA	PeJP	NA	NA
+PJ084750	SVHHHRR 	C38H61N19O9	927.49	NA	PeJP	NA	NA
+PJ084751	TTTTTLKY 	C41H69N9O15	927.4913	NA	PeJP	NA	NA
+PJ084752	APLLKEEE 	C41H69N9O15	927.4914	NA	PeJP	NA	NA
+PJ084753	PPVLLQMM 	C42H73N9O10S2	927.4922	NA	PeJP	NA	NA
+PJ084754	PVNKERW 	C42H65N13O11	927.4927	NA	PeJP	NA	NA
+PJ084755	GTTLLMHR 	C39H69N13O11S	927.4961	NA	PeJP	NA	NA
+PJ084756	SPPKKWW 	C47H65N11O9	927.4967	NA	PeJP	NA	NA
+PJ084757	SPQERRR 	C36H65N17O12	927.4999	NA	PeJP	NA	NA
+PJ084758	TLLKMHW 	C44H69N11O9S	927.5001	NA	PeJP	NA	NA
+PJ084759	SSSTKKKY 	C40H69N11O14	927.5026	NA	PeJP	NA	NA
+PJ084760	CKKKKMY 	C41H73N11O9S2	927.5035	NA	PeJP	NA	NA
+PJ084761	GPKERRW 	C41H65N15O10	927.5039	NA	PeJP	NA	NA
+PJ084762	GPTLLLEW 	C45H69N9O12	927.5066	NA	PeJP	NA	NA
+PJ084763	GSPPKMRR 	C38H69N15O10S	927.5073	NA	PeJP	NA	NA
+PJ084764	AVLHFRW 	C46H65N13O8	927.5079	NA	PeJP	NA	NA
+PJ084765	GPVKRWW 	C46H65N13O8	927.508	NA	PeJP	NA	NA
+PJ084766	PPTLLKEM 	C42H73N9O12S	927.51	NA	PeJP	NA	NA
+PJ084767	PLLLFYY 	C50H69N7O10	927.5106	NA	PeJP	NA	NA
+PJ084768	GQQQRRR 	C35H65N19O11	927.5111	NA	PeJP	NA	NA
+PJ084769	GGGAAQRRR 	C35H65N19O11	927.5112	NA	PeJP	NA	NA
+PJ084770	AKKKMHW 	C43H69N13O8S	927.5113	NA	PeJP	NA	NA
+PJ084771	STTTLLHR 	C39H69N13O13	927.5138	NA	PeJP	NA	NA
+PJ084772	GGGGGGGGVLLK 	C39H69N13O13	927.5139	NA	PeJP	NA	NA
+PJ084773	LLLLMYY 	C47H73N7O10S	927.514	NA	PeJP	NA	NA
+PJ084774	LLKMMHR 	C40H73N13O8S2	927.5147	NA	PeJP	NA	NA
+PJ084775	GPTRRRW 	C40H65N17O9	927.5152	NA	PeJP	NA	NA
+PJ084776	PLQKKEW 	C44H69N11O11	927.5178	NA	PeJP	NA	NA
+PJ084777	GAPLKKEW 	C44H69N11O11	927.5179	NA	PeJP	NA	NA
+PJ084778	PVNMRRR 	C37H69N17O9S	927.5185	NA	PeJP	NA	NA
+PJ084779	PKRRWW 	C45H65N15O7	927.5192	NA	PeJP	NA	NA
+PJ084780	GPLLLEMR 	C41H73N11O11S	927.5212	NA	PeJP	NA	NA
+PJ084781	PTLLLWW 	C49H69N9O9	927.5219	NA	PeJP	NA	NA
+PJ084782	GNNRRRR 	C34H65N21O10	927.5224	NA	PeJP	NA	NA
+PJ084783	ASPTLQRR 	C38H69N15O12	927.525	NA	PeJP	NA	NA
+PJ084784	PDKKERR 	C38H69N15O12	927.5251	NA	PeJP	NA	NA
+PJ084785	GPVLLLMW 	C46H73N9O9S	927.5252	NA	PeJP	NA	NA
+PJ084786	SPLLLKEE 	C42H73N9O14	927.5277	NA	PeJP	NA	NA
+PJ084787	GAALLLLEE 	C42H73N9O14	927.5278	NA	PeJP	NA	NA
+PJ084788	PPVLLKMM 	C43H77N9O9S2	927.5286	NA	PeJP	NA	NA
+PJ084789	PVDKKRW 	C43H69N13O10	927.5291	NA	PeJP	NA	NA
+PJ084790	GPMRRRR 	C36H69N19O8S	927.5298	NA	PeJP	NA	NA
+PJ084791	APPTKKMR 	C40H73N13O10S	927.5325	NA	PeJP	NA	NA
+PJ084792	APLKKWW 	C48H69N11O8	927.5331	NA	PeJP	NA	NA
+PJ084793	SPKERRR 	C37H69N17O11	927.5363	NA	PeJP	NA	NA
+PJ084794	PLLLMRW 	C45H73N11O8S	927.5365	NA	PeJP	NA	NA
+PJ084795	GVLLLEER 	C41H73N11O13	927.539	NA	PeJP	NA	NA
+PJ084796	SPVKRRW 	C42H69N15O9	927.5403	NA	PeJP	NA	NA
+PJ084797	AALLLLEW 	C46H73N9O11	927.543	NA	PeJP	NA	NA
+PJ084798	PLQKMRR 	C39H73N15O9S	927.5437	NA	PeJP	NA	NA
+PJ084799	PVVLLKEM 	C43H77N9O11S	927.5464	NA	PeJP	NA	NA
+PJ084800	LLLLFFY 	C51H73N7O9	927.547	NA	PeJP	NA	NA
+PJ084801	GVERRRR 	C36H69N19O10	927.5475	NA	PeJP	NA	NA
+PJ084802	LLLEERR 	C40H73N13O12	927.5502	NA	PeJP	NA	NA
+PJ084803	GKKHFRR 	C41H69N17O8	927.5515	NA	PeJP	NA	NA
+PJ084804	AALRRRW 	C41H69N17O8	927.5516	NA	PeJP	NA	NA
+PJ084805	VLLLERW 	C45H73N11O10	927.5542	NA	PeJP	NA	NA
+PJ084806	PCLKRRR 	C38H73N17O8S	927.5549	NA	PeJP	NA	NA
+PJ084807	SPVLLLMR 	C42H77N11O10S	927.5576	NA	PeJP	NA	NA
+PJ084808	VVLLLWW 	C50H73N9O8	927.5582	NA	PeJP	NA	NA
+PJ084809	ERRRRR 	C35H69N21O9	927.5588	NA	PeJP	NA	NA
+PJ084810	VLQKERR 	C39H73N15O11	927.5614	NA	PeJP	NA	NA
+PJ084811	GGLLKERR 	C39H73N15O11	927.5615	NA	PeJP	NA	NA
+PJ084812	VRRRRW 	C40H69N19O7	927.5628	NA	PeJP	NA	NA
+PJ084813	ALLLLKEE 	C43H77N9O13	927.5641	NA	PeJP	NA	NA
+PJ084814	PTLKKRW 	C44H73N13O9	927.5655	NA	PeJP	NA	NA
+PJ084815	GPVLKKMR 	C41H77N13O9S	927.5688	NA	PeJP	NA	NA
+PJ084816	ALKERRR 	C38H73N17O10	927.5727	NA	PeJP	NA	NA
+PJ084817	ATLLLLER 	C42H77N11O12	927.5754	NA	PeJP	NA	NA
+PJ084818	GLLKRRW 	C43H73N15O8	927.5767	NA	PeJP	NA	NA
+PJ084819	GTLLLLLW 	C47H77N9O10	927.5794	NA	PeJP	NA	NA
+PJ084820	PLKKMRR 	C40H77N15O8S	927.5801	NA	PeJP	NA	NA
+PJ084821	PTLLLLKM 	C44H81N9O10S	927.5828	NA	PeJP	NA	NA
+PJ084822	ATLRRRR 	C37H73N19O9	927.5839	NA	PeJP	NA	NA
+PJ084823	AALLKKER 	C41H77N13O11	927.5866	NA	PeJP	NA	NA
+PJ084824	LLLQKKW 	C46H77N11O9	927.5906	NA	PeJP	NA	NA
+PJ084825	GLLLLLMR 	C43H81N11O9S	927.594	NA	PeJP	NA	NA
+PJ084826	VLKKERR 	C40H77N15O10	927.5978	NA	PeJP	NA	NA
+PJ084827	SLLLLLKE 	C44H81N9O12	927.6005	NA	PeJP	NA	NA
+PJ084828	VVLKKRW 	C45H77N13O8	927.6018	NA	PeJP	NA	NA
+PJ084829	SLLKRRR 	C39H77N17O9	927.6091	NA	PeJP	NA	NA
+PJ084830	STLLLLLR 	C43H81N11O11	927.6117	NA	PeJP	NA	NA
+PJ084831	GLLLKKKE 	C43H81N11O11	927.6118	NA	PeJP	NA	NA
+PJ084832	PVVLLLKF 	C48H81N9O9	927.6158	NA	PeJP	NA	NA
+PJ084833	VVLLLLKM 	C45H85N9O9S	927.6191	NA	PeJP	NA	NA
+PJ084834	GKKKRRR 	C38H77N19O8	927.6203	NA	PeJP	NA	NA
+PJ084835	GTLLLKKR 	C42H81N13O10	927.623	NA	PeJP	NA	NA
+PJ084836	LLLKKKW 	C47H81N11O8	927.627	NA	PeJP	NA	NA
+PJ084837	LQKKKKR 	C41H81N15O9	927.6342	NA	PeJP	NA	NA
+PJ084838	SVLLLKKK 	C44H85N11O10	927.6481	NA	PeJP	NA	NA
+PJ084839	GVLKKKKK 	C43H85N13O9	927.6594	NA	PeJP	NA	NA
+PJ084840	LKKKKKR 	C42H85N15O8	927.6706	NA	PeJP	NA	NA
+HMDB08553	PC(22:0/24:1(15Z))	C54H106NO8P	927.765625	NA	HMDB2010	NA	NA
+HMDB08584	PC(22:1(13Z)/24:0)	C54H106NO8P	927.765625	NA	HMDB2010	NA	NA
+HMDB08776	PC(24:0/22:1(13Z))	C54H106NO8P	927.765625	NA	HMDB2010	NA	NA
+HMDB08808	PC(24:1(15Z)/22:0)	C54H106NO8P	927.765625	NA	HMDB2010	NA	NA
+2888	NA	AEPGADDAEEVEQKQLQ	927.9129	MH2+	Inhouse_peptide	NA	peptide
+MJ097938	Oolonghomobisflavan A 	C45H36O22	928.169822	NA	MeJP	NA	NA
+MJ097939	Oolonghomobisflavan B 	C45H36O22	928.169822	NA	MeJP	NA	NA
+PJ084841	CCCCCCEY 	C32H48N8O12S6	928.1716	NA	PeJP	NA	NA
+MJ097940	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) 	C42H41O24(+)	928.190952	NA	MeJP	NA	NA
+MJ097941	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[3,4-Dihydroxycinnamoyl-(??)-?-D-glucopyranoside], 5-O-(di-O-malonyl-?-D-glucopyranoside) 	C42H41O24(+)	928.190952	NA	MeJP	NA	NA
+PJ084842	CCCCDDMH 	C31H48N10O13S5	928.2006	NA	PeJP	NA	NA
+PJ084843	CCDDDDDE 	C31H44N8O21S2	928.2063	NA	PeJP	NA	NA
+PJ084844	TCCCCCMY 	C33H52N8O11S6	928.208	NA	PeJP	NA	NA
+PJ084845	GSCCCCCNH 	C30H48N12O12S5	928.2119	NA	PeJP	NA	NA
+PJ084846	GPCCCCNDD 	C31H48N10O15S4	928.2184	NA	PeJP	NA	NA
+PJ084847	GCCCCDYY 	C36H48N8O13S4	928.2224	NA	PeJP	NA	NA
+PJ084848	CCNNDDDM 	C31H48N10O17S3	928.2361	NA	PeJP	NA	NA
+PJ084849	GGCCNDDDM 	C31H48N10O17S3	928.2362	NA	PeJP	NA	NA
+PJ084850	SCCCDMMH 	C32H52N10O12S5	928.237	NA	PeJP	NA	NA
+PJ084851	GCCCCMFY 	C37H52N8O10S5	928.241	NA	PeJP	NA	NA
+PJ084852	SCDDDDEM 	C32H48N8O20S2	928.2427	NA	PeJP	NA	NA
+PJ084853	PCCDDDMM 	C33H52N8O15S4	928.2435	NA	PeJP	NA	NA
+PJ084854	GSCCCNNND 	C30H48N12O16S3	928.2474	NA	PeJP	NA	NA
+PJ084855	GCCCNDEW 	C35H48N10O14S3	928.2514	NA	PeJP	NA	NA
+PJ084856	GSSCCNDDE 	C31H48N10O19S2	928.2539	NA	PeJP	NA	NA
+PJ084857	GSPCCCNDM 	C32H52N10O14S4	928.2548	NA	PeJP	NA	NA
+PJ084858	ACCCMMMH 	C33H56N10O9S6	928.2556	NA	PeJP	NA	NA
+PJ084859	SCCCCHHH 	C33H48N14O10S4	928.2561	NA	PeJP	NA	NA
+PJ084860	GDDDDDDY 	C35H44N8O22	928.2571	NA	PeJP	NA	NA
+PJ084861	PCCDDDDF 	C36H48N8O17S2	928.2579	NA	PeJP	NA	NA
+PJ084862	GSCCCMYY 	C37H52N8O12S4	928.2588	NA	PeJP	NA	NA
+PJ084863	GDDDDMMM 	C33H52N8O17S3	928.2613	NA	PeJP	NA	NA
+PJ084864	PCCCDDHH 	C34H48N12O13S3	928.2626	NA	PeJP	NA	NA
+MJ097942	Naamidine A; Zn complex 	C46H44N10O8Zn	928.263505	NA	MeJP	NA	NA
+PJ084865	CCCNNNQM 	C31H52N12O13S4	928.266	NA	PeJP	NA	NA
+PJ084866	CCCNDWW 	C39H48N10O11S3	928.2667	NA	PeJP	NA	NA
+PJ084867	SSCCNDDW 	C35H48N10O16S2	928.2692	NA	PeJP	NA	NA
+PJ084868	SPCCCCQW 	C36H52N10O11S4	928.27	NA	PeJP	NA	NA
+PJ084869	SSSSCNDDD 	C31H48N10O21S	928.2717	NA	PeJP	NA	NA
+PJ084870	SCNNDDMM 	C32H52N10O16S3	928.2725	NA	PeJP	NA	NA
+PJ084871	SSCCMMMH 	C33H56N10O11S5	928.2734	NA	PeJP	NA	NA
+PJ084872	GCCCCFFF 	C41H52N8O9S4	928.2741	NA	PeJP	NA	NA
+PJ084873	SPCDDDDY 	C36H48N8O19S	928.2757	NA	PeJP	NA	NA
+PJ084874	SSTCCCYY 	C37H52N8O14S3	928.2765	NA	PeJP	NA	NA
+PJ084875	CDDEMMW 	C37H52N8O14S3	928.2766	NA	PeJP	NA	NA
+PJ084876	CCCCNNNR 	C30H52N14O12S4	928.2772	NA	PeJP	NA	NA
+PJ084877	GGGGCCCCNR 	C30H52N14O12S4	928.2773	NA	PeJP	NA	NA
+PJ084878	STDDDDMM 	C33H52N8O19S2	928.279	NA	PeJP	NA	NA
+PJ084879	SSDDDEMM 	C33H52N8O19S2	928.2791	NA	PeJP	NA	NA
+PJ084880	SPCDDMMM 	C34H56N8O14S4	928.2799	NA	PeJP	NA	NA
+PJ084881	GCDDDMHH 	C34H48N12O15S2	928.2804	NA	PeJP	NA	NA
+PJ084882	SCCCNDER 	C31H52N12O15S3	928.2838	NA	PeJP	NA	NA
+PJ084883	PCCCCNMR 	C32H56N12O10S5	928.2846	NA	PeJP	NA	NA
+PJ084884	CCCMHFW 	C40H52N10O8S4	928.2853	NA	PeJP	NA	NA
+PJ084885	GCNNDDEY 	C35H48N10O18S	928.2869	NA	PeJP	NA	NA
+PJ084886	GSCCNEMW 	C36H52N10O13S3	928.2878	NA	PeJP	NA	NA
+PJ084887	GSSSCNDEM 	C32H52N10O18S2	928.2903	NA	PeJP	NA	NA
+PJ084888	CDDDEFW 	C40H48N8O16S	928.2909	NA	PeJP	NA	NA
+PJ084889	ACCNQEMM 	C33H56N10O13S4	928.2911	NA	PeJP	NA	NA
+PJ084890	GCNNEMMM 	C33H56N10O13S4	928.2912	NA	PeJP	NA	NA
+PJ084891	SCCNNDHH 	C33H48N14O14S2	928.2916	NA	PeJP	NA	NA
+PJ084892	CCCQFYY 	C41H52N8O11S3	928.2918	NA	PeJP	NA	NA
+PJ084893	GSDDDEEY 	C36H48N8O21	928.2934	NA	PeJP	NA	NA
+PJ084894	GPCDDEMY 	C37H52N8O16S2	928.2943	NA	PeJP	NA	NA
+PJ084895	PPCCCEMF 	C38H56N8O11S4	928.2952	NA	PeJP	NA	NA
+PJ084896	CCDEHHW 	C38H48N12O12S2	928.2957	NA	PeJP	NA	NA
+PJ084897	GSDEEMMM 	C34H56N8O16S3	928.2977	NA	PeJP	NA	NA
+PJ084898	SSCDDEHH 	C34H48N12O17S	928.2982	NA	PeJP	NA	NA
+PJ084899	GPCEMMMM 	C35H60N8O11S5	928.2986	NA	PeJP	NA	NA
+PJ084900	GSCCCDRW 	C35H52N12O12S3	928.299	NA	PeJP	NA	NA
+PJ084901	GSSSCCDDR 	C31H52N12O17S2	928.3015	NA	PeJP	NA	NA
+PJ084902	CNNDDYW 	C39H48N10O15S	928.3022	NA	PeJP	NA	NA
+PJ084903	GCCNDMMR 	C32H56N12O12S4	928.3024	NA	PeJP	NA	NA
+PJ084904	SCCNMWW 	C40H52N10O10S3	928.303	NA	PeJP	NA	NA
+PJ084905	GGGPCCCFW 	C40H52N10O10S3	928.3031	NA	PeJP	NA	NA
+PJ084906	SSNNDDDY 	C35H48N10O20	928.3047	NA	PeJP	NA	NA
+PJ084907	SSSCNDMW 	C36H52N10O15S2	928.3055	NA	PeJP	NA	NA
+PJ084908	GGGGSPCCEY 	C36H52N10O15S2	928.3056	NA	PeJP	NA	NA
+PJ084909	CNNMMMW 	C37H56N10O10S4	928.3064	NA	PeJP	NA	NA
+PJ084910	SSSSSNDDM 	C32H52N10O20S	928.308	NA	PeJP	NA	NA
+PJ084911	SDDDEYW 	C40H48N8O18	928.3087	NA	PeJP	NA	NA
+PJ084912	SSNNDMMM 	C33H56N10O15S3	928.3089	NA	PeJP	NA	NA
+PJ084913	SCCQYYY 	C41H52N8O13S2	928.3095	NA	PeJP	NA	NA
+PJ084914	PCDDMYW 	C41H52N8O13S2	928.3096	NA	PeJP	NA	NA
+PJ084915	PCCCNKMM 	C34H60N10O10S5	928.3098	NA	PeJP	NA	NA
+PJ084916	GCCNQMHH 	C34H52N14O11S3	928.3103	NA	PeJP	NA	NA
+PJ084917	NDEEEMY 	C37H52N8O18S	928.3121	NA	PeJP	NA	NA
+PJ084918	SDEMMMW 	C38H56N8O13S3	928.3129	NA	PeJP	NA	NA
+PJ084919	GCCCCERR 	C31H56N14O11S4	928.3136	NA	PeJP	NA	NA
+PJ084920	PCMMMMW 	C39H60N8O8S5	928.3138	NA	PeJP	NA	NA
+PJ084921	SSSEEEMM 	C34H56N8O18S2	928.3154	NA	PeJP	NA	NA
+PJ084922	GNNDDEEH 	C34H48N12O19	928.3159	NA	PeJP	NA	NA
+PJ084923	QEEMMMM 	C35H60N8O13S4	928.3163	NA	PeJP	NA	NA
+PJ084924	GCNNNNMY 	C35H52N12O14S2	928.3168	NA	PeJP	NA	NA
+PJ084925	CCCQMRW 	C36H56N12O9S4	928.3176	NA	PeJP	NA	NA
+PJ084926	GACCCMRW 	C36H56N12O9S4	928.3177	NA	PeJP	NA	NA
+PJ084927	GSSSSSSCNN 	C31H52N12O19S	928.3193	NA	PeJP	NA	NA
+PJ084928	SSCCNEMR 	C32H56N12O14S3	928.3201	NA	PeJP	NA	NA
+PJ084929	GGSTCCDMR 	C32H56N12O14S3	928.3202	NA	PeJP	NA	NA
+PJ084930	GSSTCCWW 	C40H52N10O12S2	928.3208	NA	PeJP	NA	NA
+PJ084931	GCCCNHHR 	C33H52N16O10S3	928.3215	NA	PeJP	NA	NA
+PJ084932	GSSSSSCEW 	C36H52N10O17S	928.3233	NA	PeJP	NA	NA
+PJ084933	GSSCQMMW 	C37H56N10O12S3	928.3242	NA	PeJP	NA	NA
+PJ084934	GSSSSSSSDE 	C32H52N10O22	928.3258	NA	PeJP	NA	NA
+PJ084935	GSSSSNEMM 	C33H56N10O17S2	928.3267	NA	PeJP	NA	NA
+PJ084936	SNNNNDDH 	C33H48N14O18	928.3271	NA	PeJP	NA	NA
+PJ084937	GGGGSNNDDH 	C33H48N14O18	928.3272	NA	PeJP	NA	NA
+PJ084938	GDEEMYW 	C41H52N8O15S	928.3273	NA	PeJP	NA	NA
+PJ084939	DDMMMMR 	C34H60N10O12S4	928.3275	NA	PeJP	NA	NA
+PJ084940	GGGGGTMMMM 	C34H60N10O12S4	928.3276	NA	PeJP	NA	NA
+PJ084941	SSCNNMHH 	C34H52N14O13S2	928.328	NA	PeJP	NA	NA
+PJ084942	PCDMMFW 	C42H56N8O10S3	928.3282	NA	PeJP	NA	NA
+PJ084943	CCCCRRW 	C35H56N14O8S4	928.3289	NA	PeJP	NA	NA
+PJ084944	GSSEEEEY 	C37H52N8O20	928.3298	NA	PeJP	NA	NA
+PJ084945	GSPDEMMY 	C38H56N8O15S2	928.3307	NA	PeJP	NA	NA
+PJ084946	NNDDEHW 	C38H48N12O16	928.3312	NA	PeJP	NA	NA
+PJ084947	SSCCCDRR 	C31H56N14O13S3	928.3314	NA	PeJP	NA	NA
+PJ084948	AEMMMMW 	C39H60N8O10S4	928.3316	NA	PeJP	NA	NA
+PJ084949	SCEMHHW 	C39H52N12O11S2	928.332	NA	PeJP	NA	NA
+PJ084950	GTTEEMMM 	C35H60N8O15S3	928.3341	NA	PeJP	NA	NA
+PJ084951	GSCNDDRY 	C35H52N12O16S	928.3345	NA	PeJP	NA	NA
+PJ084952	GGGGGGGGSTCY 	C35H52N12O16S	928.3346	NA	PeJP	NA	NA
+PJ084953	GPTMMMMM 	C36H64N8O10S5	928.3349	NA	PeJP	NA	NA
+PJ084954	GSSCCMRW 	C36H56N12O11S3	928.3354	NA	PeJP	NA	NA
+PJ084955	GSCDHHHH 	C36H48N16O12S	928.3359	NA	PeJP	NA	NA
+PJ084956	ACCNFWW 	C44H52N10O9S2	928.336	NA	PeJP	NA	NA
+PJ084957	GCCQFWW 	C44H52N10O9S2	928.3361	NA	PeJP	NA	NA
+PJ084958	GSSSSCDMR 	C32H56N12O16S2	928.3379	NA	PeJP	NA	NA
+PJ084959	SSSSSCWW 	C40H52N10O14S	928.3385	NA	PeJP	NA	NA
+PJ084960	GGSNDMYW 	C40H52N10O14S	928.3386	NA	PeJP	NA	NA
+PJ084961	GSCNMMMR 	C33H60N12O11S4	928.3388	NA	PeJP	NA	NA
+PJ084962	TCCCKWW 	C41H56N10O9S3	928.3394	NA	PeJP	NA	NA
+PJ084963	SSSSSSSDW 	C36H52N10O19	928.341	NA	PeJP	NA	NA
+PJ084964	GGSSSNEEY 	C36H52N10O19	928.3411	NA	PeJP	NA	NA
+PJ084965	SSSSNMMW 	C37H56N10O14S2	928.3419	NA	PeJP	NA	NA
+PJ084966	GPDDDHHH 	C37H48N14O15	928.3424	NA	PeJP	NA	NA
+PJ084967	DEMYWW 	C45H52N8O12S	928.3426	NA	PeJP	NA	NA
+PJ084968	CCQKMMW 	C38H60N10O9S4	928.3428	NA	PeJP	NA	NA
+PJ084969	SSSSSSQEM 	C33H56N10O19S	928.3444	NA	PeJP	NA	NA
+PJ084970	SSEEEYW 	C41H52N8O17	928.3451	NA	PeJP	NA	NA
+PJ084971	SSSQQMMM 	C34H60N10O14S3	928.3453	NA	PeJP	NA	NA
+PJ084972	GSSSSCQHH 	C34H52N14O15S	928.3458	NA	PeJP	NA	NA
+PJ084973	SPDMMYW 	C42H56N8O12S2	928.3459	NA	PeJP	NA	NA
+PJ084974	GPPCDMFY 	C42H56N8O12S2	928.346	NA	PeJP	NA	NA
+PJ084975	GNDDHWW 	C42H48N12O13	928.3464	NA	PeJP	NA	NA
+PJ084976	CDMMHHR 	C35H56N14O10S3	928.3466	NA	PeJP	NA	NA
+PJ084977	GGPPCCCHR 	C35H56N14O10S3	928.3467	NA	PeJP	NA	NA
+PJ084978	PCCHHFW 	C43H52N12O8S2	928.3473	NA	PeJP	NA	NA
+PJ084979	TQEEEMY 	C38H56N8O17S	928.3484	NA	PeJP	NA	NA
+PJ084980	GATEEEMY 	C38H56N8O17S	928.3485	NA	PeJP	NA	NA
+PJ084981	EEYYYY 	C46H52N6O15	928.3491	NA	PeJP	NA	NA
+PJ084982	TTEMMMW 	C39H60N8O12S3	928.3493	NA	PeJP	NA	NA
+PJ084983	GSPCNEHW 	C39H52N12O13S	928.3498	NA	PeJP	NA	NA
+PJ084984	GTCCCMRR 	C32H60N14O10S4	928.35	NA	PeJP	NA	NA
+PJ084985	GMMMHHW 	C40H56N12O8S3	928.3507	NA	PeJP	NA	NA
+PJ084986	STTTEEMM 	C35H60N8O17S2	928.3518	NA	PeJP	NA	NA
+PJ084987	GSSSSNNNY 	C35H52N12O18	928.3523	NA	PeJP	NA	NA
+PJ084988	KEEMMMM 	C36H64N8O12S4	928.3527	NA	PeJP	NA	NA
+PJ084989	SSSTCCRW 	C36H56N12O13S2	928.3532	NA	PeJP	NA	NA
+PJ084990	GSCQYWW 	C44H52N10O11S	928.3538	NA	PeJP	NA	NA
+PJ084991	CCCKMRW 	C37H60N12O8S4	928.354	NA	PeJP	NA	NA
+PJ084992	CQMHHHH 	C37H52N16O9S2	928.3545	NA	PeJP	NA	NA
+PJ084993	SSSSSSCER 	C32H56N12O18S	928.3556	NA	PeJP	NA	NA
+PJ084994	SSSSSTCDR 	C32H56N12O18S	928.3557	NA	PeJP	NA	NA
+PJ084995	GSSSNEYW 	C40H52N10O16	928.3563	NA	PeJP	NA	NA
+PJ084996	SSSCQMMR 	C33H60N12O13S3	928.3565	NA	PeJP	NA	NA
+PJ084997	GCNNNDHR 	C33H52N16O14S	928.357	NA	PeJP	NA	NA
+PJ084998	GNQMMYW 	C41H56N10O11S2	928.3572	NA	PeJP	NA	NA
+MJ097943	Jasmoside 	C43H60O22	928.357623	NA	MeJP	NA	NA
+MJ097944	Jasnudifloside C 	C43H60O22	928.357623	NA	MeJP	NA	NA
+MJ097945	Nudifloside B 	C43H60O22	928.357623	NA	MeJP	NA	NA
+PJ084999	GSSSSSTMW 	C37H56N10O16S	928.3597	NA	PeJP	NA	NA
+PJ085000	GPDEYYW 	C45H52N8O14	928.3603	NA	PeJP	NA	NA
+PJ085001	PCEMMRY 	C38H60N10O11S3	928.3605	NA	PeJP	NA	NA
+PJ085002	GSSCKMMW 	C38H60N10O11S3	928.3606	NA	PeJP	NA	NA
+PJ085003	NNNNMHW 	C38H52N14O12S	928.361	NA	PeJP	NA	NA
+PJ085004	GGGGGGGGMHW 	C38H52N14O12S	928.3611	NA	PeJP	NA	NA
+PJ085005	EMMFWW 	C46H56N8O9S2	928.3612	NA	PeJP	NA	NA
+PJ085006	GSSSSSSTTE 	C33H56N10O21	928.3622	NA	PeJP	NA	NA
+PJ085007	GSSSTTQMM 	C34H60N10O16S2	928.363	NA	PeJP	NA	NA
+PJ085008	GSSSSDKMM 	C34H60N10O16S2	928.3631	NA	PeJP	NA	NA
+PJ085009	GSNDDEHR 	C34H52N14O17	928.3635	NA	PeJP	NA	NA
+PJ085010	GGGGGGGGSTEH 	C34H52N14O17	928.3636	NA	PeJP	NA	NA
+PJ085011	ATEEMYW 	C42H56N8O14S	928.3637	NA	PeJP	NA	NA
+PJ085012	TEMMMMR 	C35H64N10O11S4	928.3639	NA	PeJP	NA	NA
+PJ085013	CCNDRRY 	C35H56N14O12S2	928.3644	NA	PeJP	NA	NA
+PJ085014	APMMMYW 	C43H60N8O9S3	928.3646	NA	PeJP	NA	NA
+PJ085015	SPCNHWW 	C43H52N12O10S	928.365	NA	PeJP	NA	NA
+PJ085016	GGSPCHWW 	C43H52N12O10S	928.3651	NA	PeJP	NA	NA
+PJ085017	CCHHHHR 	C36H52N18O8S2	928.3657	NA	PeJP	NA	NA
+PJ085018	GTTTEEEY 	C38H56N8O19	928.3662	NA	PeJP	NA	NA
+PJ085019	VQEEMMY 	C39H60N8O14S2	928.3671	NA	PeJP	NA	NA
+PJ085020	SNQEEHW 	C39H52N12O15	928.3675	NA	PeJP	NA	NA
+PJ085021	GGSQEEHW 	C39H52N12O15	928.3676	NA	PeJP	NA	NA
+PJ085022	SSSCCMRR 	C32H60N14O12S3	928.3678	NA	PeJP	NA	NA
+PJ085023	SLMMMMW 	C40H64N8O9S4	928.3679	NA	PeJP	NA	NA
+PJ085024	AAPMMMMF 	C40H64N8O9S4	928.368	NA	PeJP	NA	NA
+PJ085025	GCNMRYW 	C40H56N12O10S2	928.3684	NA	PeJP	NA	NA
+PJ085026	SSTLEMMM 	C36H64N8O14S3	928.3704	NA	PeJP	NA	NA
+PJ085027	GSSNDMRY 	C36H56N12O15S	928.3709	NA	PeJP	NA	NA
+PJ085028	GGGGGGGGPPEM 	C36H56N12O15S	928.371	NA	PeJP	NA	NA
+PJ085029	AALMMMMM 	C37H68N8O9S5	928.3713	NA	PeJP	NA	NA
+PJ085030	SSSNYWW 	C44H52N10O13	928.3716	NA	PeJP	NA	NA
+PJ085031	GPCCCKRY 	C37H60N12O10S3	928.3718	NA	PeJP	NA	NA
+PJ085032	GSSMHHHH 	C37H52N16O11S	928.3723	NA	PeJP	NA	NA
+PJ085033	GCCKFWW 	C45H56N10O8S2	928.3724	NA	PeJP	NA	NA
+MJ097946	Antibiotic BA 12100Z1; 4'''-O-(Methylmalonyl) 	C47H60O19	928.372879	NA	MeJP	NA	NA
+MJ097947	Chukrasins; Chukrasin D 	C47H60O19	928.372879	NA	MeJP	NA	NA
+PJ085034	GSSSSSMMR 	C33H60N12O15S2	928.3743	NA	PeJP	NA	NA
+PJ085035	SSQQMYW 	C41H56N10O13S	928.3749	NA	PeJP	NA	NA
+PJ085036	GGSPPPCEW 	C41H56N10O13S	928.375	NA	PeJP	NA	NA
+PJ085037	GTCCKMMR 	C34H64N12O10S4	928.3752	NA	PeJP	NA	NA
+PJ085038	PDYYWW 	C49H52N8O11	928.3756	NA	PeJP	NA	NA
+PJ085039	PPMMMHW 	C42H60N10O8S3	928.3758	NA	PeJP	NA	NA
+PJ085040	SSSSSSTTW 	C37H56N10O18	928.3774	NA	PeJP	NA	NA
+PJ085041	GSLEEEEH 	C37H56N10O18	928.3775	NA	PeJP	NA	NA
+PJ085042	SSSTCKMW 	C38H60N10O13S2	928.3783	NA	PeJP	NA	NA
+PJ085043	SNDDHRW 	C38H52N14O14	928.3788	NA	PeJP	NA	NA
+PJ085044	PPTCYYW 	C46H56N8O11S	928.379	NA	PeJP	NA	NA
+PJ085045	CCKKMMW 	C39H64N10O8S4	928.3792	NA	PeJP	NA	NA
+PJ085046	PCCQHRW 	C39H56N14O9S2	928.3797	NA	PeJP	NA	NA
+PJ085047	SSSSSSKEM 	C34H60N10O18S	928.3808	NA	PeJP	NA	NA
+PJ085048	TTTEEYW 	C42H56N8O16	928.3815	NA	PeJP	NA	NA
+PJ085049	SSSQKMMM 	C35H64N10O13S3	928.3817	NA	PeJP	NA	NA
+PJ085050	GSNQQQMH 	C35H56N14O14S	928.3821	NA	PeJP	NA	NA
+PJ085051	NNEEMHR 	C35H56N14O14S	928.3822	NA	PeJP	NA	NA
+PJ085052	GLEMMYW 	C43H60N8O11S2	928.3823	NA	PeJP	NA	NA
+PJ085053	VMMMMMR 	C36H68N10O8S5	928.3826	NA	PeJP	NA	NA
+PJ085054	GSQEHWW 	C43H52N12O12	928.3828	NA	PeJP	NA	NA
+PJ085055	CCNMFRR 	C36H60N14O9S3	928.383	NA	PeJP	NA	NA
+PJ085056	TKEEEMY 	C39H60N8O16S	928.3848	NA	PeJP	NA	NA
+PJ085057	PKEMMMY 	C40H64N8O11S3	928.3857	NA	PeJP	NA	NA
+PJ085058	SSCQRYW 	C40H56N12O12S	928.3862	NA	PeJP	NA	NA
+PJ085059	NNFYWW 	C48H52N10O10	928.3868	NA	PeJP	NA	NA
+PJ085060	SSSSNERY 	C36H56N12O17	928.3887	NA	PeJP	NA	NA
+PJ085061	ATTLMMMM 	C37H68N8O11S4	928.3891	NA	PeJP	NA	NA
+PJ085062	SNQMMRY 	C37H60N12O12S2	928.3895	NA	PeJP	NA	NA
+PJ085063	GGGGTMMRY 	C37H60N12O12S2	928.3896	NA	PeJP	NA	NA
+PJ085064	SSSTHHHH 	C37H52N16O13	928.39	NA	PeJP	NA	NA
+PJ085065	GSCKYWW 	C45H56N10O10S	928.3902	NA	PeJP	NA	NA
+PJ085066	CKMHHHH 	C38H56N16O8S2	928.3909	NA	PeJP	NA	NA
+PJ085067	SSSSSSTMR 	C33H60N12O17S	928.392	NA	PeJP	NA	NA
+PJ085068	GSSSDKYW 	C41H56N10O15	928.3927	NA	PeJP	NA	NA
+PJ085069	SSSCKMMR 	C34H64N12O12S3	928.3929	NA	PeJP	NA	NA
+PJ085070	CNDEHRR 	C34H56N16O13S	928.3934	NA	PeJP	NA	NA
+PJ085071	GNKMMYW 	C42H60N10O10S2	928.3936	NA	PeJP	NA	NA
+PJ085072	SPEHHHW 	C42H52N14O11	928.394	NA	PeJP	NA	NA
+PJ085073	GGGGNHHFF 	C42H52N14O11	928.3941	NA	PeJP	NA	NA
+PJ085074	PMFYWW 	C50H56N8O8S	928.3942	NA	PeJP	NA	NA
+PJ085075	TTEEMRY 	C38H60N10O15S	928.3961	NA	PeJP	NA	NA
+PJ085076	APTEYYW 	C46H56N8O13	928.3967	NA	PeJP	NA	NA
+PJ085077	PTMMMRY 	C39H64N10O10S3	928.3969	NA	PeJP	NA	NA
+PJ085078	GGGAKMMMF 	C39H64N10O10S3	928.397	NA	PeJP	NA	NA
+PJ085079	GNEMHRW 	C39H56N14O11S	928.3974	NA	PeJP	NA	NA
+PJ085080	LMMYWW 	C47H60N8O8S2	928.3976	NA	PeJP	NA	NA
+PJ085081	SQHWWW 	C47H52N12O9	928.398	NA	PeJP	NA	NA
+PJ085082	TNHWWW 	C47H52N12O9	928.3981	NA	PeJP	NA	NA
+PJ085083	ASSSSSTTTT 	C34H60N10O20	928.3985	NA	PeJP	NA	NA
+PJ085084	SSSSSSSSTL 	C34H60N10O20	928.3986	NA	PeJP	NA	NA
+PJ085085	GSSSTTKMM 	C35H64N10O15S2	928.3994	NA	PeJP	NA	NA
+PJ085086	GSSQEEHR 	C35H56N14O16	928.3999	NA	PeJP	NA	NA
+PJ085087	GGGGGGGGGGAAPT 	C35H56N14O16	928.4	NA	PeJP	NA	NA
+PJ085088	STLEMYW 	C43H60N8O13S	928.4001	NA	PeJP	NA	NA
+PJ085089	GTCKKMMM 	C36H68N10O10S4	928.4003	NA	PeJP	NA	NA
+PJ085090	SCNMRRY 	C36H60N14O11S2	928.4008	NA	PeJP	NA	NA
+PJ085091	ALMMMFW 	C44H64N8O8S3	928.401	NA	PeJP	NA	NA
+PJ085092	NNDHHHR 	C36H52N18O12	928.4012	NA	PeJP	NA	NA
+PJ085093	GGNDHHHR 	C36H52N18O12	928.4013	NA	PeJP	NA	NA
+PJ085094	AAQMHWW 	C44H56N12O9S	928.4014	NA	PeJP	NA	NA
+PJ085095	SSTTLEEY 	C39H60N8O18	928.4026	NA	PeJP	NA	NA
+PJ085096	VKEEMMY 	C40H64N8O13S2	928.4035	NA	PeJP	NA	NA
+PJ085097	GSSSSRYW 	C40H56N12O14	928.4039	NA	PeJP	NA	NA
+PJ085098	GGGGAAPQEW 	C40H56N12O14	928.404	NA	PeJP	NA	NA
+PJ085099	ACCKRYW 	C41H60N12O9S2	928.4048	NA	PeJP	NA	NA
+PJ085100	GQQHHHW 	C41H52N16O10	928.4053	NA	PeJP	NA	NA
+PJ085101	TTTTLMMM 	C37H68N8O13S3	928.4068	NA	PeJP	NA	NA
+PJ085102	GSSTQMRY 	C37H60N12O14S	928.4073	NA	PeJP	NA	NA
+PJ085103	SPPQEWW 	C45H56N10O12	928.4079	NA	PeJP	NA	NA
+PJ085104	PPTNEWW 	C45H56N10O12	928.408	NA	PeJP	NA	NA
+PJ085105	CNKMMFR 	C38H64N12O9S3	928.4082	NA	PeJP	NA	NA
+PJ085106	GCDHRRW 	C38H56N16O10S	928.4087	NA	PeJP	NA	NA
+7686	ACE inhibitor from ovalbumin	FFGRCVSP	928.41	antioxidative	Inhouse_peptide	NA	peptide
+MJ097948	Chromoxymycin 	C49H60N4O14	928.410602	NA	MeJP	NA	NA
+PJ085107	SSSNNQHR 	C34H56N16O15	928.4111	NA	PeJP	NA	NA
+PJ085108	GSSDDHRR 	C34H56N16O15	928.4112	NA	PeJP	NA	NA
+PJ085109	SSQKMYW 	C42H60N10O12S	928.4113	NA	PeJP	NA	NA
+PJ085110	VEFYWW 	C50H56N8O10	928.412	NA	PeJP	NA	NA
+PJ085111	NMHRWW 	C43H56N14O8S	928.4127	NA	PeJP	NA	NA
+PJ085112	SSSTQKEY 	C38H60N10O17	928.4138	NA	PeJP	NA	NA
+PJ085113	GGGAAPLEEE 	C38H60N10O17	928.4139	NA	PeJP	NA	NA
+PJ085114	SLEMMRY 	C39H64N10O12S2	928.4147	NA	PeJP	NA	NA
+PJ085115	SSQEHRW 	C39H56N14O13	928.4152	NA	PeJP	NA	NA
+PJ085116	GPLMYYW 	C47H60N8O10S	928.4153	NA	PeJP	NA	NA
+PJ085117	GLEMFFW 	C47H60N8O10S	928.4154	NA	PeJP	NA	NA
+PJ085118	PCCKHRW 	C40H60N14O8S2	928.416	NA	PeJP	NA	NA
+PJ085119	PQHHHHH 	C40H52N18O9	928.4165	NA	PeJP	NA	NA
+PJ085120	SSSSTTTKM 	C35H64N10O17S	928.4172	NA	PeJP	NA	NA
+PJ085121	PTKEEYY 	C43H60N8O15	928.4178	NA	PeJP	NA	NA
+PJ085122	GGVLEEYY 	C43H60N8O15	928.4179	NA	PeJP	NA	NA
+PJ085123	SSSKKMMM 	C36H68N10O12S3	928.4181	NA	PeJP	NA	NA
+PJ085124	GSSTCRRY 	C36H60N14O13S	928.4185	NA	PeJP	NA	NA
+PJ085125	GPPCDERR 	C36H60N14O13S	928.4186	NA	PeJP	NA	NA
+PJ085126	SVLMMYW 	C44H64N8O10S2	928.4187	NA	PeJP	NA	NA
+PJ085127	GSKEHWW 	C44H56N12O11	928.4192	NA	PeJP	NA	NA
+PJ085128	SSSLLEMY 	C40H64N8O15S	928.4212	NA	PeJP	NA	NA
+PJ085129	LLQMMMY 	C41H68N8O10S3	928.4221	NA	PeJP	NA	NA
+PJ085130	SSCKRYW 	C41H60N12O11S	928.4225	NA	PeJP	NA	NA
+PJ085131	PPNEMRW 	C41H60N12O11S	928.4226	NA	PeJP	NA	NA
+PJ085132	GPPTWWW 	C49H56N10O9	928.4232	NA	PeJP	NA	NA
+PJ085133	SSSTTQRY 	C37H60N12O16	928.425	NA	PeJP	NA	NA
+PJ085134	SSSSDKRY 	C37H60N12O16	928.4251	NA	PeJP	NA	NA
+PJ085135	SNKMMRY 	C38H64N12O11S2	928.4259	NA	PeJP	NA	NA
+PJ085136	GGGGGLLMMH 	C38H64N12O11S2	928.426	NA	PeJP	NA	NA
+PJ085137	NNNQHFR 	C38H56N16O12	928.4264	NA	PeJP	NA	NA
+PJ085138	PPVNMWW 	C46H60N10O9S	928.4266	NA	PeJP	NA	NA
+PJ085139	PFFFWW 	C54H56N8O7	928.4272	NA	PeJP	NA	NA
+PJ085140	GSSTTKYW 	C42H60N10O14	928.4291	NA	PeJP	NA	NA
+PJ085141	SNEMHRR 	C35H60N16O12S	928.4298	NA	PeJP	NA	NA
+PJ085142	ACKKMYW 	C43H64N10O9S2	928.4299	NA	PeJP	NA	NA
+PJ085143	VCCKKYW 	C43H64N10O9S2	928.43	NA	PeJP	NA	NA
+PJ085144	GSTHRWW 	C43H56N14O10	928.4304	NA	PeJP	NA	NA
+PJ085145	LMFFWW 	C51H60N8O7S	928.4306	NA	PeJP	NA	NA
+PJ085146	GTTTQKMY 	C39H64N10O14S	928.4324	NA	PeJP	NA	NA
+PJ085147	GSSKKEMY 	C39H64N10O14S	928.4325	NA	PeJP	NA	NA
+PJ085148	GVLEYYW 	C47H60N8O12	928.4331	NA	PeJP	NA	NA
+PJ085149	VVMMMRY 	C40H68N10O9S3	928.4333	NA	PeJP	NA	NA
+PJ085150	PPCDRRW 	C40H60N14O10S	928.4338	NA	PeJP	NA	NA
+PJ085151	SKHWWW 	C48H56N12O8	928.4344	NA	PeJP	NA	NA
+PJ085152	GVHHFFW 	C48H56N12O8	928.4345	NA	PeJP	NA	NA
+PJ085153	SSSSSRRY 	C36H60N14O15	928.4363	NA	PeJP	NA	NA
+PJ085154	PVKEMYY 	C44H64N8O12S	928.4365	NA	PeJP	NA	NA
+PJ085155	TCCKRRY 	C37H64N14O10S2	928.4372	NA	PeJP	NA	NA
+PJ085156	SQQHHHR 	C37H56N18O11	928.4376	NA	PeJP	NA	NA
+PJ085157	GGGATHHHR 	C37H56N18O11	928.4377	NA	PeJP	NA	NA
+PJ085158	GPPMRWW 	C45H60N12O8S	928.4378	NA	PeJP	NA	NA
+PJ085159	TTTTTLEY 	C40H64N8O17	928.439	NA	PeJP	NA	NA
+PJ085160	GTTLLMMY 	C41H68N8O12S2	928.4398	NA	PeJP	NA	NA
+PJ085161	PVNEERW 	C41H60N12O13	928.4403	NA	PeJP	NA	NA
+PJ085162	GGGGGGGGPPLF 	C41H60N12O13	928.4404	NA	PeJP	NA	NA
+PJ085163	SCDHRRR 	C34H60N18O11S	928.441	NA	PeJP	NA	NA
+PJ085164	PCKKMHW 	C42H64N12O8S2	928.4412	NA	PeJP	NA	NA
+PJ085165	GQKHHHW 	C42H56N16O9	928.4417	NA	PeJP	NA	NA
+PJ085166	GSSTKMRY 	C38H64N12O13S	928.4437	NA	PeJP	NA	NA
+PJ085167	SPPKEWW 	C46H60N10O11	928.4443	NA	PeJP	NA	NA
+PJ085168	GAAPLEWW 	C46H60N10O11	928.4444	NA	PeJP	NA	NA
+PJ085169	GSMHRRW 	C39H60N16O9S	928.445	NA	PeJP	NA	NA
+PJ085170	HHFFRW 	C47H56N14O7	928.4457	NA	PeJP	NA	NA
+PJ085171	PDDDRRR 	C35H60N16O14	928.4475	NA	PeJP	NA	NA
+PJ085172	GGGGGSPERR 	C35H60N16O14	928.4476	NA	PeJP	NA	NA
+PJ085173	SSKKMYW 	C43H64N10O11S	928.4477	NA	PeJP	NA	NA
+PJ085174	VLYYWW 	C51H60N8O9	928.4484	NA	PeJP	NA	NA
+PJ085175	SSSTKKEY 	C39H64N10O16	928.4502	NA	PeJP	NA	NA
+PJ085176	TQKKMMY 	C40H68N10O11S2	928.4511	NA	PeJP	NA	NA
+PJ085177	SSKEHRW 	C40H60N14O12	928.4515	NA	PeJP	NA	NA
+PJ085178	GPEERRW 	C40H60N14O12	928.4516	NA	PeJP	NA	NA
+PJ085179	GLLMFYW 	C48H64N8O9S	928.4517	NA	PeJP	NA	NA
+PJ085180	PKHHHHH 	C41H56N18O8	928.4529	NA	PeJP	NA	NA
+PJ085181	VVKEEYY 	C44H64N8O14	928.4542	NA	PeJP	NA	NA
+PJ085182	GSPPEMRR 	C37H64N14O12S	928.4549	NA	PeJP	NA	NA
+PJ085183	GGGGGGAPLMR 	C37H64N14O12S	928.455	NA	PeJP	NA	NA
+PJ085184	PLKMMFY 	C45H68N8O9S2	928.4551	NA	PeJP	NA	NA
+PJ085185	GPVERWW 	C45H60N12O10	928.4556	NA	PeJP	NA	NA
+PJ085186	STTTLLMY 	C41H68N8O14S	928.4576	NA	PeJP	NA	NA
+PJ085187	LLKMMMY 	C42H72N8O9S3	928.4585	NA	PeJP	NA	NA
+PJ085188	NNNQQRR 	C34H60N18O13	928.4588	NA	PeJP	NA	NA
+PJ085189	ASPPCLRW 	C42H64N12O10S	928.4589	NA	PeJP	NA	NA
+PJ085190	PPDKMRW 	C42H64N12O10S	928.459	NA	PeJP	NA	NA
+PJ085191	AAPLWWW 	C50H60N10O8	928.4596	NA	PeJP	NA	NA
+PJ085192	SSSTTKRY 	C38H64N12O15	928.4614	NA	PeJP	NA	NA
+PJ085193	AAPKEEER 	C38H64N12O15	928.4615	NA	PeJP	NA	NA
+PJ085194	TCKKMRY 	C39H68N12O10S2	928.4623	NA	PeJP	NA	NA
+PJ085195	SSTHRRW 	C39H60N16O11	928.4628	NA	PeJP	NA	NA
+PJ085196	PPCLKWW 	C47H64N10O8S	928.463	NA	PeJP	NA	NA
+PJ085197	PLQKEEW 	C43H64N10O13	928.4655	NA	PeJP	NA	NA
+PJ085198	SDKMHRR 	C36H64N16O11S	928.4662	NA	PeJP	NA	NA
+PJ085199	VLLMMHW 	C44H68N10O8S2	928.4663	NA	PeJP	NA	NA
+MJ097949	2,3,16,21,23-Pentahydroxy-12-oleanen-28-oic acid, 28?21 Lactone, 3-O-[?-D-xylopyranosyl(1?2)-?-L-arabinopyranosyl(1?6)-?-D-glucopyranoside] 	C46H72O19	928.46678	NA	MeJP	NA	NA
+MJ097950	24(23?22)-Abeo-16,23:18,20-diepoxycholesta-5,24-diene-3,18,23-triol, 18-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C46H72O19	928.46678	NA	MeJP	NA	NA
+PJ085200	PERRWW 	C44H60N14O9	928.4668	NA	PeJP	NA	NA
+PJ085201	GTTTKKMY 	C40H68N10O13S	928.4688	NA	PeJP	NA	NA
+PJ085202	APPKKEEM 	C40H68N10O13S	928.4689	NA	PeJP	NA	NA
+PJ085203	ATLLYYW 	C48H64N8O11	928.4695	NA	PeJP	NA	NA
+PJ085204	SPPMRRW 	C41H64N14O9S	928.4702	NA	PeJP	NA	NA
+PJ085205	PVRWWW 	C49H60N12O7	928.4708	NA	PeJP	NA	NA
+PJ085206	PDKEERR 	C37H64N14O14	928.4727	NA	PeJP	NA	NA
+PJ085207	VLLQMYY 	C45H68N8O11S	928.4728	NA	PeJP	NA	NA
+PJ085208	LLLNMYY 	C45H68N8O11S	928.4729	NA	PeJP	NA	NA
+34	Myosin	VFPMNPPK	928.473	celiac toxic	Inhouse_peptide	NA	peptide
+PJ085209	AAPPMMRR 	C38H68N14O9S2	928.4736	NA	PeJP	NA	NA
+PJ085210	SQKHHHR 	C38H60N18O10	928.474	NA	PeJP	NA	NA
+PJ085211	SPLLLEEE 	C41H68N8O16	928.4754	NA	PeJP	NA	NA
+PJ085212	PPVLLEMM 	C42H72N8O11S2	928.4762	NA	PeJP	NA	NA
+PJ085213	PVDKERW 	C42H64N12O12	928.4767	NA	PeJP	NA	NA
+PJ085214	SSMHRRR 	C35H64N18O10S	928.4774	NA	PeJP	NA	NA
+PJ085215	QHFRRW 	C43H60N16O8	928.478	NA	PeJP	NA	NA
+PJ085216	GAHFRRW 	C43H60N16O8	928.4781	NA	PeJP	NA	NA
+PJ085217	APPTKEMR 	C39H68N12O12S	928.4801	NA	PeJP	NA	NA
+PJ085218	APLKEWW 	C47H64N10O10	928.4807	NA	PeJP	NA	NA
+PJ085219	VLMHHHR 	C40H64N16O8S	928.4814	NA	PeJP	NA	NA
+PJ085220	SPEERRR 	C36H64N16O13	928.4839	NA	PeJP	NA	NA
+PJ085221	GGGGGGGGGLKR 	C36H64N16O13	928.484	NA	PeJP	NA	NA
+PJ085222	GPPTLKMW 	C44H68N10O10S	928.4841	NA	PeJP	NA	NA
+PJ085223	GLLFFFW 	C52H64N8O8	928.4848	NA	PeJP	NA	NA
+PJ085224	STTTTKKY 	C40H68N10O15	928.4866	NA	PeJP	NA	NA
+PJ085225	TKKKMMY 	C41H72N10O10S2	928.4875	NA	PeJP	NA	NA
+PJ085226	SPVERRW 	C41H64N14O11	928.4879	NA	PeJP	NA	NA
+PJ085227	GGGAPTKRW 	C41H64N14O11	928.488	NA	PeJP	NA	NA
+PJ085228	PLKMFFF 	C49H68N8O8S	928.4881	NA	PeJP	NA	NA
+PJ085229	TLLKEYY 	C45H68N8O13	928.4906	NA	PeJP	NA	NA
+PJ085230	PLQEMRR 	C38H68N14O11S	928.4913	NA	PeJP	NA	NA
+PJ085231	LLKMMFF 	C46H72N8O8S2	928.4915	NA	PeJP	NA	NA
+PJ085232	APTLRWW 	C46H64N12O9	928.492	NA	PeJP	NA	NA
+PJ085233	PVVLLEEM 	C42H72N8O13S	928.494	NA	PeJP	NA	NA
+PJ085234	NNNQKRR 	C35H64N18O12	928.4951	NA	PeJP	NA	NA
+PJ085235	GQQERRR 	C35H64N18O12	928.4952	NA	PeJP	NA	NA
+PJ085236	PVLQMRW 	C43H68N12O9S	928.4953	NA	PeJP	NA	NA
+PJ085237	GPTLKEER 	C39H68N12O14	928.4978	NA	PeJP	NA	NA
+PJ085238	GGGVLLEER 	C39H68N12O14	928.4979	NA	PeJP	NA	NA
+PJ085239	GPPLKMMR 	C40H72N12O9S2	928.4987	NA	PeJP	NA	NA
+PJ085240	GVQQRRW 	C40H64N16O10	928.4992	NA	PeJP	NA	NA
+PJ085241	LLLQQEW 	C44H68N10O12	928.5018	NA	PeJP	NA	NA
+PJ085242	PLKKEEW 	C44H68N10O12	928.5019	NA	PeJP	NA	NA
+PJ085243	TTKMHRR 	C37H68N16O10S	928.5025	NA	PeJP	NA	NA
+PJ085244	PVDMRRR 	C37H68N16O10S	928.5026	NA	PeJP	NA	NA
+MJ097951	12-Oleanene-3,16,22,28-tetrol, 28-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097952	13,28-Epoxy-3,16,30-oleananetriol, 30-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097953	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22-Lactone, 24-O-[?-L-arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097954	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Arabinopyranosyl-(1?2)-3-O-acetyl-?-D-xylopyranoside], 6-O-?-D-xylopyranoside 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097955	3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097956	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097957	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097958	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097959	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097960	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-D-Xylopyranoside, 28-O-[?-D-allopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097961	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], ?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097962	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranoyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097963	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097964	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097965	3,20-Dihydroxy-30-nor-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097966	3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097967	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097968	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097969	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097970	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097971	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097972	Hederagenin bisdesmosides; Triglycosides, 3-O-?-L-Arabinopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097973	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?2)]-?-L-arabinopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+MJ097974	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-arabinofuranosyl-(1?2)]-?-D-glucopyranoside] 	C47H76O18	928.503165	NA	MeJP	NA	NA
+PJ085245	APPFRRW 	C45H64N14O8	928.5032	NA	PeJP	NA	NA
+PJ085246	TTTLLLMH 	C41H72N10O12S	928.5052	NA	PeJP	NA	NA
+MJ097975	Prenylagaramide B 	C49H68N8O10	928.50584	NA	MeJP	NA	NA
+PJ085247	PVLKFYY 	C49H68N8O10	928.5059	NA	PeJP	NA	NA
+PJ085248	GNDRRRR 	C34H64N20O11	928.5064	NA	PeJP	NA	NA
+PJ085249	APLMRRW 	C42H68N14O8S	928.5066	NA	PeJP	NA	NA
+C07548	Atracurium	C53H72N2O12	928.5085	NA	KEGG	NA	NA
+PJ085250	VLQEERR 	C38H68N14O13	928.5091	NA	PeJP	NA	NA
+PJ085251	VLLKMYY 	C46H72N8O10S	928.5092	NA	PeJP	NA	NA
+PJ085252	PPPVLLMY 	C46H72N8O10S	928.5093	NA	PeJP	NA	NA
+PJ085253	VKKMMHR 	C39H72N14O8S2	928.5099	NA	PeJP	NA	NA
+PJ085254	QQRRRW 	C39H64N18O9	928.5104	NA	PeJP	NA	NA
+PJ085255	ALLLLEEE 	C42H72N8O15	928.5118	NA	PeJP	NA	NA
+PJ085256	PTLKERW 	C43H68N12O11	928.5131	NA	PeJP	NA	NA
+PJ085257	PCNKRRR 	C36H68N18O9S	928.5138	NA	PeJP	NA	NA
+PJ085258	KHFRRW 	C44H64N16O7	928.5144	NA	PeJP	NA	NA
+PJ085259	GPVLKEMR 	C40H72N12O11S	928.5165	NA	PeJP	NA	NA
+PJ085260	SPLLKWW 	C48H68N10O9	928.5171	NA	PeJP	NA	NA
+PJ085261	ALEERRR 	C37H68N16O12	928.5203	NA	PeJP	NA	NA
+PJ085262	AAPLLKMW 	C45H72N10O9S	928.5205	NA	PeJP	NA	NA
+PJ085263	APHHRRR 	C38H64N20O8	928.5217	NA	PeJP	NA	NA
+PJ085264	SPVLKKEE 	C41H72N10O14	928.523	NA	PeJP	NA	NA
+PJ085265	PPVVKKMM 	C42H76N10O9S2	928.5239	NA	PeJP	NA	NA
+PJ085266	GLLERRW 	C42H68N14O10	928.5243	NA	PeJP	NA	NA
+MJ097976	Cyanopeptolin B 	C46H72N8O12	928.526969	NA	MeJP	NA	NA
+PJ085267	PPVVLLEY 	C46H72N8O12	928.527	NA	PeJP	NA	NA
+PJ085268	PLKEMRR 	C39H72N14O10S	928.5277	NA	PeJP	NA	NA
+PJ085269	GVLLRWW 	C47H68N12O8	928.5284	NA	PeJP	NA	NA
+PJ085270	PTLLLLEM 	C43H76N8O12S	928.5304	NA	PeJP	NA	NA
+PJ085271	GQKERRR 	C36H68N18O11	928.5315	NA	PeJP	NA	NA
+PJ085272	GGAKERRR 	C36H68N18O11	928.5316	NA	PeJP	NA	NA
+PJ085273	PVLKMRW 	C44H72N12O8S	928.5317	NA	PeJP	NA	NA
+PJ085274	AALLKEER 	C40H72N12O13	928.5342	NA	PeJP	NA	NA
+PJ085275	GVQKRRW 	C41H68N16O9	928.5356	NA	PeJP	NA	NA
+PJ085276	LLLQKEW 	C45H72N10O11	928.5382	NA	PeJP	NA	NA
+PJ085277	GALLLKEW 	C45H72N10O11	928.5383	NA	PeJP	NA	NA
+PJ085278	PTLMRRR 	C38H72N16O9S	928.5389	NA	PeJP	NA	NA
+MJ097977	12,24:20,24-Diepoxydammarane-3,25-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl(1?3)]-?-D-glucopyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097978	12-Oleanene-3,11,23,28-tetrol, 11-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097979	12-Oleanene-3,16,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097980	12-Oleanene-3,16,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097981	12-Oleanene-3,28-diol, 3-Glycoside 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097982	12-Ursene-3,21,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 21-O-?-D-glucopyranoside 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097983	20,24-Epoxydammarane-3,12,25-triol, 12-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097984	3,14,15,16-Tetrahydroxypregnan-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097985	Eupha-7,24-diene-1,3,23-triol, 1,3-Di-O-?-D-glucopyranoside, 23-O-?-L-rhamnopyranoside 	C48H80O17	928.539551	NA	MeJP	NA	NA
+MJ097986	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Cymaropyranosyl-(1?4)-3-O-methyl-?-D-galactopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H80O17	928.539551	NA	MeJP	NA	NA
+PJ085279	LLRRWW 	C46H68N14O7	928.5396	NA	PeJP	NA	NA
+PJ085280	APLLKKEM 	C42H76N10O11S	928.5416	NA	PeJP	NA	NA
+PJ085281	VLLKFFY 	C50H72N8O9	928.5423	NA	PeJP	NA	NA
+PJ085282	GTQRRRR 	C35H68N20O10	928.5428	NA	PeJP	NA	NA
+MJ097987	Cephalostatin 7 	C54H76N2O11	928.544911	NA	MeJP	NA	NA
+MJ097988	Cephalostatin 9 	C54H76N2O11	928.544911	NA	MeJP	NA	NA
+MJ097989	Ritterazine J 	C54H76N2O11	928.544911	NA	MeJP	NA	NA
+PJ085283	SSPTLLRR 	C39H72N14O12	928.5454	NA	PeJP	NA	NA
+PJ085284	VLKEERR 	C39H72N14O12	928.5455	NA	PeJP	NA	NA
+MJ097990	Patellin 4 	C47H76N8O9S	928.545596	NA	MeJP	NA	NA
+PJ085285	PPVLLLMF 	C47H76N8O9S	928.5456	NA	PeJP	NA	NA
+PJ085286	QKRRRW 	C40H68N18O8	928.5468	NA	PeJP	NA	NA
+PJ085287	SLLLLLEE 	C43H76N8O14	928.5481	NA	PeJP	NA	NA
+PJ085288	PVLLLLMM 	C44H80N8O9S2	928.549	NA	PeJP	NA	NA
+PJ085289	VVLKERW 	C44H72N12O10	928.5495	NA	PeJP	NA	NA
+PJ085290	APTLLKMR 	C41H76N12O10S	928.5529	NA	PeJP	NA	NA
+PJ085291	ALLLKWW 	C49H72N10O8	928.5535	NA	PeJP	NA	NA
+MJ097991	Okadaic acid; 7-Hydroxy-2-methyl-2E,4E-heptadienoyl ester 	C52H80O14	928.554807	NA	MeJP	NA	NA
+PJ085292	SLLERRR 	C38H72N16O11	928.5567	NA	PeJP	NA	NA
+PJ085293	GLLLKKEE 	C42H76N10O13	928.5594	NA	PeJP	NA	NA
+PJ085294	SVLLRRW 	C43H72N14O9	928.5607	NA	PeJP	NA	NA
+PJ085295	PPTLLLLY 	C47H76N8O11	928.5634	NA	PeJP	NA	NA
+PJ085296	LLLQMRR 	C40H76N14O9S	928.5641	NA	PeJP	NA	NA
+PJ085297	VVLLLLEM 	C44H80N8O11S	928.5668	NA	PeJP	NA	NA
+PJ085298	GKKERRR 	C37H72N18O10	928.5679	NA	PeJP	NA	NA
+PJ085299	GTLLLKER 	C41H76N12O12	928.5706	NA	PeJP	NA	NA
+PJ085300	GVKKRRW 	C42H72N16O8	928.572	NA	PeJP	NA	NA
+PJ085301	LLLKKEW 	C46H76N10O10	928.5746	NA	PeJP	NA	NA
+PJ085302	VVLMRRR 	C39H76N16O8S	928.5753	NA	PeJP	NA	NA
+MJ097992	Calyculin A; O-Dephosphono 	C50H80N4O12	928.577274	NA	MeJP	NA	NA
+PJ085303	SPLLLKKM 	C43H80N10O10S	928.578	NA	PeJP	NA	NA
+PJ085304	GTKRRRR 	C36H72N20O9	928.5792	NA	PeJP	NA	NA
+PJ085305	GTTLLLRR 	C40H76N14O11	928.5818	NA	PeJP	NA	NA
+PJ085306	GALKKKER 	C40H76N14O11	928.5819	NA	PeJP	NA	NA
+PJ085307	KKRRRW 	C41H72N18O7	928.5832	NA	PeJP	NA	NA
+MJ097993	Magellanin 	C60H80O8	928.585319	NA	MeJP	NA	NA
+PJ085308	TLLLKRW 	C45H76N12O9	928.5859	NA	PeJP	NA	NA
+PJ085309	GVLLLKMR 	C42H80N12O9S	928.5892	NA	PeJP	NA	NA
+PJ085310	VDKKKRR 	C39H76N16O10	928.5931	NA	PeJP	NA	NA
+PJ085311	SVLLLKKE 	C43H80N10O12	928.5958	NA	PeJP	NA	NA
+PJ085312	ALKKKRW 	C44H76N14O8	928.5971	NA	PeJP	NA	NA
+PJ085313	PVVLLLLY 	C48H80N8O10	928.5998	NA	PeJP	NA	NA
+PJ085314	LLLKMRR 	C41H80N14O8S	928.6005	NA	PeJP	NA	NA
+PJ085315	TLLLLLLM 	C45H84N8O10S	928.6032	NA	PeJP	NA	NA
+PJ085316	SVKKRRR 	C38H76N18O9	928.6043	NA	PeJP	NA	NA
+PJ085317	SSLLLLKR 	C42H80N12O11	928.607	NA	PeJP	NA	NA
+PJ085318	APLLLKKF 	C47H80N10O9	928.611	NA	PeJP	NA	NA
+PJ085319	ALLLLKKM 	C44H84N10O9S	928.6144	NA	PeJP	NA	NA
+PJ085320	LKKKKER 	C41H80N14O10	928.6182	NA	PeJP	NA	NA
+PJ085321	VLKKKKW 	C46H80N12O8	928.6222	NA	PeJP	NA	NA
+PJ085322	TLKKKRR 	C40H80N16O9	928.6295	NA	PeJP	NA	NA
+PJ085323	TTLLLLKK 	C44H84N10O11	928.6321	NA	PeJP	NA	NA
+PJ085324	VVLLLLLF 	C49H84N8O9	928.6362	NA	PeJP	NA	NA
+PJ085325	ATLLKKKK 	C43H84N12O10	928.6434	NA	PeJP	NA	NA
+PJ085326	AAKKKKKK 	C42H84N14O9	928.6546	NA	PeJP	NA	NA
+MJ097994	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-tetracosanoyl 	C60H96O7	928.715605	NA	MeJP	NA	NA
+HMDB05463	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H100O6	928.75201	http://www.hmdb.ca/metabolites/HMDB05463	HMDB	NA	NA
+HMDB05463	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H100O6	928.75201	HMDB05463	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05463	TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H100O6	928.752014	NA	HMDB2010	NA	NA
+HMDB10488	TG(18:2(9Z,12Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C61H100O6	928.752014	NA	HMDB2010	NA	NA
+HMDB10495	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C61H100O6	928.752014	NA	HMDB2010	NA	NA
+HMDB10505	TG(18:3(9Z,12Z,15Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C61H100O6	928.752014	NA	HMDB2010	NA	NA
+HMDB10522	TG(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H100O6	928.752014	NA	HMDB2010	NA	NA
+3868	vespa-like peptide from R, Erythraea	FLPLLFGALSAILPKIF~	929.06645	MH2+	Inhouse_peptide	NA	peptide
+PJ085327	SCCCCCCCC 	C27H47N9O11S8	929.1161	NA	PeJP	NA	NA
+C00323	Caffeoyl-CoA	C30H42N7O19P3S	929.1469	NA	KEGG	NA	NA
+MJ097995	Caffeoyl-CoA 	C30H42N7O19P3S	929.146902	NA	MeJP	NA	NA
+MetaCyc04324	caffeoyl-CoA []	C30H42N7O19P3S1	929.146902	NA	metacyc	NA	NA
+PJ085328	GSCCCCCDH 	C30H47N11O13S5	929.1959	NA	PeJP	NA	NA
+FL7AAAGL0039	Salvianin	C42H41O24	929.19877	128508-42-9	knapsack	NA	NA
+FL7AACGL0056	Cyanidin 3-(6''-p-coumarylglucoside)-5-4''',6'''-dimalonylglucoside)	C42H41O24	929.19877	-	knapsack	NA	NA
+MetaCyc04325	salvianin [pelargonidin 3-O-(6-caffeoyl-&beta;-D-glucoside) 5-O--(4,6-di-O-malonyl-&beta;-D-glucoside);]	C42H41O24	929.198777	NA	metacyc	NA	NA
+C12647	Salvianin	C42H41O24	929.1988	NA	KEGG	NA	NA
+C12648	Transferred to D01221	C42H41O24	929.1988	NA	KEGG	NA	NA
+PJ085329	GPCCCCDDD 	C31H47N9O16S4	929.2024	NA	PeJP	NA	NA
+PJ085330	CCCCCQMH 	C31H51N11O10S6	929.2145	NA	PeJP	NA	NA
+PJ085331	CCNDDDDM 	C31H47N9O18S3	929.2202	NA	PeJP	NA	NA
+PJ085332	SPPCCCCCD 	C32H51N9O13S5	929.221	NA	PeJP	NA	NA
+MJ097996	Guiaflavine 	C40H42N4O22(+)	929.221244	NA	MeJP	NA	NA
+PJ085333	CCCCCCHR 	C30H51N13O9S6	929.2257	NA	PeJP	NA	NA
+PJ085334	GSCCCNNDD 	C30H47N11O17S3	929.2314	NA	PeJP	NA	NA
+PJ085335	GSSCCCCMH 	C31H51N11O12S5	929.2323	NA	PeJP	NA	NA
+PJ085336	GCCCDDEW 	C35H47N9O15S3	929.2354	NA	PeJP	NA	NA
+PJ085337	GSSCCDDDE 	C31H47N9O20S2	929.2379	NA	PeJP	NA	NA
+PJ085338	GSPCCCDDM 	C32H51N9O15S4	929.2388	NA	PeJP	NA	NA
+PJ085339	APPCCCCCM 	C33H55N9O10S6	929.2397	NA	PeJP	NA	NA
+PJ085340	SSSTCCCCH 	C31H51N11O14S4	929.25	NA	PeJP	NA	NA
+PJ085341	CCCDDWW 	C39H47N9O12S3	929.2507	NA	PeJP	NA	NA
+PJ085342	CCCCCKMH 	C32H55N11O9S6	929.2509	NA	PeJP	NA	NA
+PJ085343	SSCCDDDW 	C35H47N9O17S2	929.2532	NA	PeJP	NA	NA
+PJ085344	SPCCCCEW 	C36H51N9O12S4	929.254	NA	PeJP	NA	NA
+PJ085345	SSSSCDDDD 	C31H47N9O22S	929.2557	NA	PeJP	NA	NA
+PJ085346	SCNDDDMM 	C32H51N9O17S3	929.2565	NA	PeJP	NA	NA
+PJ085347	GGSCDDDMM 	C32H51N9O17S3	929.2566	NA	PeJP	NA	NA
+PJ085348	PCCCNEMM 	C33H55N9O12S5	929.2574	NA	PeJP	NA	NA
+PJ085349	CCCCNNDR 	C30H51N13O13S4	929.2613	NA	PeJP	NA	NA
+PJ085350	GCCCNNMW 	C35H51N11O11S4	929.2653	NA	PeJP	NA	NA
+PJ085351	SCCCDDER 	C31H51N11O16S3	929.2678	NA	PeJP	NA	NA
+PJ085352	GPCCCCCNK 	C32H55N11O11S5	929.2686	NA	PeJP	NA	NA
+PJ085353	PCCCCDMR 	C32H55N11O11S5	929.2687	NA	PeJP	NA	NA
+MetaCyc04326	5-formyl-tetrahydrosarcinapterin [5-formyl-H4SPT;]	C36H48N7O20P1	929.269174	NA	metacyc	NA	NA
+PJ085354	GCNDDDEY 	C35H47N9O19S	929.2709	NA	PeJP	NA	NA
+PJ085355	GSCCDEMW 	C36H51N9O14S3	929.2718	NA	PeJP	NA	NA
+PJ085356	GPCCCMMW 	C37H55N9O9S5	929.2727	NA	PeJP	NA	NA
+PJ085357	GSSSCDDEM 	C32H51N9O19S2	929.2743	NA	PeJP	NA	NA
+PJ085358	GCNDEMMM 	C33H55N9O14S4	929.2752	NA	PeJP	NA	NA
+PJ085359	SCCNDDHH 	C33H47N13O15S2	929.2756	NA	PeJP	NA	NA
+PJ085360	GGSCCDDHH 	C33H47N13O15S2	929.2757	NA	PeJP	NA	NA
+PJ085361	CCCEFYY 	C41H51N7O12S3	929.2758	NA	PeJP	NA	NA
+PJ085362	PCCCCQHH 	C34H51N13O10S4	929.2765	NA	PeJP	NA	NA
+PJ085363	PCNDDDDH 	C34H47N11O18S	929.2822	NA	PeJP	NA	NA
+PJ085364	SSCCCNQW 	C35H51N11O13S3	929.283	NA	PeJP	NA	NA
+PJ085365	GGGGGGPCCCY 	C35H51N11O13S3	929.2831	NA	PeJP	NA	NA
+PJ085366	SSSSCCNNE 	C31H51N11O18S2	929.2855	NA	PeJP	NA	NA
+PJ085367	CNDDDYW 	C39H47N9O16S	929.2862	NA	PeJP	NA	NA
+PJ085368	GCCDDMMR 	C32H55N11O13S4	929.2864	NA	PeJP	NA	NA
+PJ085369	SCCDMWW 	C40H51N9O11S3	929.2871	NA	PeJP	NA	NA
+PJ085370	SSNDDDDY 	C35H47N9O21	929.2887	NA	PeJP	NA	NA
+PJ085371	SPCCNDEY 	C36H51N9O16S2	929.2895	NA	PeJP	NA	NA
+PJ085372	SSSCDDMW 	C36H51N9O16S2	929.2896	NA	PeJP	NA	NA
+PJ085373	CNDMMMW 	C37H55N9O11S4	929.2904	NA	PeJP	NA	NA
+PJ085374	SSSSSDDDM 	C32H51N9O21S	929.292	NA	PeJP	NA	NA
+PJ085375	SSNDDMMM 	C33H55N9O16S3	929.2929	NA	PeJP	NA	NA
+PJ085376	SCCEYYY 	C41H51N7O14S2	929.2936	NA	PeJP	NA	NA
+PJ085377	SPCCQMMM 	C34H59N9O11S5	929.2938	NA	PeJP	NA	NA
+PJ085378	GCCNEMHH 	C34H51N13O12S3	929.2943	NA	PeJP	NA	NA
+PJ085379	DDEEEMY 	C37H51N7O19S	929.2961	NA	PeJP	NA	NA
+PJ085380	SCCCNNMR 	C31H55N13O12S4	929.2976	NA	PeJP	NA	NA
+PJ085381	GGGGSCCCMR 	C31H55N13O12S4	929.2977	NA	PeJP	NA	NA
+PJ085382	GCCCNHFF 	C39H51N11O10S3	929.2983	NA	PeJP	NA	NA
+PJ085383	GNDDDEEH 	C34H47N11O20	929.2999	NA	PeJP	NA	NA
+PJ085384	EEEMMMM 	C35H59N7O14S4	929.3003	NA	PeJP	NA	NA
+PJ085385	GSSSSCCNW 	C35H51N11O15S2	929.3008	NA	PeJP	NA	NA
+PJ085386	CCCEMRW 	C36H55N11O10S4	929.3017	NA	PeJP	NA	NA
+PJ085387	GSSSSSSCND 	C31H51N11O20S	929.3033	NA	PeJP	NA	NA
+PJ085388	SSCCDEMR 	C32H55N11O15S3	929.3042	NA	PeJP	NA	NA
+PJ085389	GSPCCDYW 	C40H51N9O13S2	929.3048	NA	PeJP	NA	NA
+PJ085390	SPCCCMMR 	C33H59N11O10S5	929.305	NA	PeJP	NA	NA
+PJ085391	GCCCDHHR 	C33H51N15O11S3	929.3055	NA	PeJP	NA	NA
+PJ085392	ACCMMWW 	C41H55N9O8S4	929.3057	NA	PeJP	NA	NA
+PJ085393	GSNDDEMY 	C36H51N9O18S	929.3073	NA	PeJP	NA	NA
+PJ085394	GSSCEMMW 	C37H55N9O13S3	929.3082	NA	PeJP	NA	NA
+PJ085395	CMMMMHF 	C38H59N9O8S5	929.3091	NA	PeJP	NA	NA
+PJ085396	CCNMHHW 	C38H51N13O9S3	929.3095	NA	PeJP	NA	NA
+MJ097997	Perdeacyleuojaponin; 1,6-Dibenzoyl, 2,8,9,14-tetra-Ac 	C48H51NO18	929.310613	NA	MeJP	NA	NA
+MJ097998	Perdeacyleuojaponin; 1,9-Dibenzoyl, 2,6,8,14-tetra-Ac 	C48H51NO18	929.310613	NA	MeJP	NA	NA
+MJ097999	Perdeacylwilforine; 1,2-Dibenzoyl, 6,8,9,14-tetra-Ac 	C48H51NO18	929.310613	NA	MeJP	NA	NA
+MJ098000	Perdeacylwilforine; 2,6-Dibenzoyl, 1,8,9,14-tetra-Ac 	C48H51NO18	929.310613	NA	MeJP	NA	NA
+PJ085397	GSSSSDEMM 	C33H55N9O18S2	929.3107	NA	PeJP	NA	NA
+PJ085398	SNNNDDDH 	C33H47N13O19	929.3112	NA	PeJP	NA	NA
+PJ085399	ASCQEMMM 	C34H59N9O13S4	929.3115	NA	PeJP	NA	NA
+PJ085400	GSNEMMMM 	C34H59N9O13S4	929.3116	NA	PeJP	NA	NA
+PJ085401	SSCNDMHH 	C34H51N13O14S2	929.312	NA	PeJP	NA	NA
+PJ085402	GGGGGGPCCEH 	C34H51N13O14S2	929.3121	NA	PeJP	NA	NA
+PJ085403	GCMMYYY 	C42H55N7O11S3	929.3122	NA	PeJP	NA	NA
+PJ085404	PCCCCKHH 	C35H55N13O9S4	929.3129	NA	PeJP	NA	NA
+PJ085405	DEEEMMF 	C38H55N7O16S2	929.3147	NA	PeJP	NA	NA
+PJ085406	NDDDEHW 	C38H47N11O17	929.3152	NA	PeJP	NA	NA
+PJ085407	GSSSCCCQR 	C31H55N13O14S3	929.3154	NA	PeJP	NA	NA
+PJ085408	CCNNQYW 	C39H51N11O12S2	929.316	NA	PeJP	NA	NA
+PJ085409	GGGACCNYW 	C39H51N11O12S2	929.3161	NA	PeJP	NA	NA
+PJ085410	SSCNNNEY 	C35H51N11O17S	929.3185	NA	PeJP	NA	NA
+PJ085411	GSCDDDRY 	C35H51N11O17S	929.3186	NA	PeJP	NA	NA
+PJ085412	SSCCCNKW 	C36H55N11O12S3	929.3194	NA	PeJP	NA	NA
+PJ085413	GCCEFWW 	C44H51N9O10S2	929.3201	NA	PeJP	NA	NA
+PJ085414	SSSSSCNQM 	C32H55N11O17S2	929.3219	NA	PeJP	NA	NA
+PJ085415	SNDDMYW 	C40H51N9O15S	929.3226	NA	PeJP	NA	NA
+PJ085416	GSCDMMMR 	C33H59N11O12S4	929.3228	NA	PeJP	NA	NA
+PJ085417	SSCMMWW 	C41H55N9O10S3	929.3234	NA	PeJP	NA	NA
+PJ085418	GGPPCCCFF 	C41H55N9O10S3	929.3235	NA	PeJP	NA	NA
+PJ085419	SSSNDEEY 	C36H51N9O20	929.3251	NA	PeJP	NA	NA
+PJ085420	SSSSDMMW 	C37H55N9O15S2	929.3259	NA	PeJP	NA	NA
+PJ085421	GGGGEEMMY 	C37H55N9O15S2	929.326	NA	PeJP	NA	NA
+PJ085422	GCDFYYY 	C45H51N7O13S	929.3266	NA	PeJP	NA	NA
+PJ085423	SNMMMMW 	C38H59N9O10S4	929.3268	NA	PeJP	NA	NA
+PJ085424	GSTCCHHW 	C38H51N13O11S2	929.3273	NA	PeJP	NA	NA
+PJ085425	SSSSSSEEM 	C33H55N9O20S	929.3284	NA	PeJP	NA	NA
+PJ085426	PDDEEYY 	C41H51N7O18	929.3291	NA	PeJP	NA	NA
+PJ085427	SSSQEMMM 	C34H59N9O15S3	929.3293	NA	PeJP	NA	NA
+PJ085428	GSSSSCEHH 	C34H51N13O16S	929.3298	NA	PeJP	NA	NA
+PJ085429	STCMYYY 	C42H55N7O13S2	929.3299	NA	PeJP	NA	NA
+PJ085430	QQMMMMM 	C35H63N9O10S5	929.3302	NA	PeJP	NA	NA
+PJ085431	GDDDHWW 	C42H47N11O14	929.3304	NA	PeJP	NA	NA
+PJ085432	GCCCNQFR 	C35H55N13O11S3	929.3307	NA	PeJP	NA	NA
+PJ085433	TEEEEMY 	C38H55N7O18S	929.3325	NA	PeJP	NA	NA
+PJ085434	SSSSSCCNR 	C31H55N13O16S2	929.3331	NA	PeJP	NA	NA
+PJ085435	GGSSSSSCCR 	C31H55N13O16S2	929.3332	NA	PeJP	NA	NA
+PJ085436	PEEMMMY 	C39H59N7O13S3	929.3333	NA	PeJP	NA	NA
+PJ085437	GSSCNNYW 	C39H51N11O14S	929.3338	NA	PeJP	NA	NA
+PJ085438	SCCCCQKR 	C32H59N13O11S4	929.334	NA	PeJP	NA	NA
+PJ085439	PCCCRYW 	C40H55N11O9S3	929.3347	NA	PeJP	NA	NA
+PJ085440	CCFWWW 	C48H51N9O7S2	929.3353	NA	PeJP	NA	NA
+PJ085441	GSSSSNNDY 	C35H51N11O19	929.3363	NA	PeJP	NA	NA
+PJ085442	CNDEMRY 	C36H55N11O14S2	929.3372	NA	PeJP	NA	NA
+PJ085443	GSCEYWW 	C44H51N9O12S	929.3378	NA	PeJP	NA	NA
+PJ085444	TCCMMRW 	C37H59N11O9S4	929.338	NA	PeJP	NA	NA
+PJ085445	GCCCCKKW 	C37H59N11O9S4	929.3381	NA	PeJP	NA	NA
+PJ085446	CEMHHHH 	C37H51N15O10S2	929.3385	NA	PeJP	NA	NA
+PJ085447	GSSSSSSSNM 	C32H55N11O19S	929.3397	NA	PeJP	NA	NA
+PJ085448	GSSSDEYW 	C40H51N9O17	929.3403	NA	PeJP	NA	NA
+PJ085449	SSSCEMMR 	C33H59N11O14S3	929.3405	NA	PeJP	NA	NA
+PJ085450	GGGSSTCCKM 	C33H59N11O14S3	929.3406	NA	PeJP	NA	NA
+PJ085451	GCNNDDHR 	C33H51N15O15S	929.341	NA	PeJP	NA	NA
+PJ085452	GGGGGGGGGASCH 	C33H51N15O15S	929.3411	NA	PeJP	NA	NA
+PJ085453	GNEMMYW 	C41H55N9O12S2	929.3412	NA	PeJP	NA	NA
+PJ085454	CQMMMMR 	C34H63N11O9S5	929.3414	NA	PeJP	NA	NA
+PJ085455	GSCCMHHR 	C34H55N15O10S3	929.3419	NA	PeJP	NA	NA
+PJ085456	CCHHHFF 	C42H51N13O8S2	929.3425	NA	PeJP	NA	NA
+PJ085457	GSSQEEMY 	C37H55N9O17S	929.3437	NA	PeJP	NA	NA
+PJ085458	GSDYYYY 	C45H51N7O15	929.3443	NA	PeJP	NA	NA
+PJ085459	GSSTMMMW 	C38H59N9O12S3	929.3446	NA	PeJP	NA	NA
+PJ085460	SSSSCHHW 	C38H51N13O13S	929.345	NA	PeJP	NA	NA
+PJ085461	GGGGNDMHW 	C38H51N13O13S	929.3451	NA	PeJP	NA	NA
+PJ085462	GCMFFYY 	C46H55N7O10S2	929.3452	NA	PeJP	NA	NA
+PJ085463	GSSSTTEMM 	C34H59N9O17S2	929.3471	NA	PeJP	NA	NA
+PJ085464	SSSSSSDHH 	C34H51N13O18	929.3475	NA	PeJP	NA	NA
+PJ085465	GSDDDEHR 	C34H51N13O18	929.3476	NA	PeJP	NA	NA
+PJ085466	PDEEMFY 	C42H55N7O15S	929.3477	NA	PeJP	NA	NA
+PJ085467	GSDKMMMM 	C35H63N9O12S4	929.3479	NA	PeJP	NA	NA
+PJ085468	CCDDRRY 	C35H55N13O13S2	929.3484	NA	PeJP	NA	NA
+PJ085469	SPCDHWW 	C43H51N11O11S	929.3491	NA	PeJP	NA	NA
+PJ085470	VEEEMMY 	C39H59N7O15S2	929.3511	NA	PeJP	NA	NA
+PJ085471	NNNNEYY 	C39H51N11O16	929.3515	NA	PeJP	NA	NA
+PJ085472	SNEEEHW 	C39H51N11O16	929.3516	NA	PeJP	NA	NA
+PJ085473	GSSSCCCKR 	C32H59N13O13S3	929.3518	NA	PeJP	NA	NA
+PJ085474	GCDMRYW 	C40H55N11O11S2	929.3524	NA	PeJP	NA	NA
+PJ085475	GGGGPPPCCW 	C40H55N11O11S2	929.3525	NA	PeJP	NA	NA
+PJ085476	CCMMMRR 	C33H63N13O8S5	929.3527	NA	PeJP	NA	NA
+PJ085477	SCYWWW 	C48H51N9O9S	929.3531	NA	PeJP	NA	NA
+PJ085478	GSSDDMRY 	C36H55N11O16S	929.3549	NA	PeJP	NA	NA
+PJ085479	GGAAEEEMH 	C36H55N11O16S	929.355	NA	PeJP	NA	NA
+PJ085480	SSSDYWW 	C44H51N9O14	929.3556	NA	PeJP	NA	NA
+PJ085481	GPTCCMRY 	C37H59N11O11S3	929.3558	NA	PeJP	NA	NA
+PJ085482	GPCNEHHH 	C37H51N15O12S	929.3563	NA	PeJP	NA	NA
+PJ085483	NMMYWW 	C45H55N9O9S2	929.3564	NA	PeJP	NA	NA
+PJ085484	GGMMYWW 	C45H55N9O9S2	929.3565	NA	PeJP	NA	NA
+PJ085485	SSSSSSSSSQ 	C32H55N11O21	929.3574	NA	PeJP	NA	NA
+PJ085486	SSSSSCNKM 	C33H59N11O16S2	929.3583	NA	PeJP	NA	NA
+PJ085487	GSSSNNNNH 	C33H51N15O17	929.3588	NA	PeJP	NA	NA
+PJ085488	SSQEMYW 	C41H55N9O14S	929.3589	NA	PeJP	NA	NA
+PJ085489	GGSTEMYW 	C41H55N9O14S	929.359	NA	PeJP	NA	NA
+PJ085490	GSSMMMMR 	C34H63N11O11S4	929.3592	NA	PeJP	NA	NA
+PJ085491	SSTCCHHR 	C34H55N15O12S2	929.3596	NA	PeJP	NA	NA
+PJ085492	GGSPCCNHR 	C34H55N15O12S2	929.3597	NA	PeJP	NA	NA
+PJ085493	PCCKMYW 	C42H59N9O9S3	929.3598	NA	PeJP	NA	NA
+PJ085494	GCNQHWW 	C42H51N13O10S	929.3603	NA	PeJP	NA	NA
+PJ085495	SSSTQEEY 	C37H55N9O19	929.3614	NA	PeJP	NA	NA
+PJ085496	GGSSTTEEY 	C37H55N9O19	929.3615	NA	PeJP	NA	NA
+PJ085497	SSSTTMMW 	C38H59N9O14S2	929.3623	NA	PeJP	NA	NA
+PJ085498	SDDDHRW 	C38H51N13O15	929.3628	NA	PeJP	NA	NA
+PJ085499	QMYYYY 	C46H55N7O12S	929.363	NA	PeJP	NA	NA
+PJ085500	TCKMMMW 	C39H63N9O9S4	929.3632	NA	PeJP	NA	NA
+PJ085501	PCCEHRW 	C39H55N13O10S2	929.3637	NA	PeJP	NA	NA
+PJ085502	SSSSTTTEM 	C34H59N9O19S	929.3648	NA	PeJP	NA	NA
+PJ085503	PTEEEYY 	C42H55N7O17	929.3655	NA	PeJP	NA	NA
+PJ085504	SSSKEMMM 	C35H63N9O14S3	929.3657	NA	PeJP	NA	NA
+PJ085505	SSSCNNRY 	C35H55N13O15S	929.3662	NA	PeJP	NA	NA
+PJ085506	PPEMMYY 	C43H59N7O12S2	929.3663	NA	PeJP	NA	NA
+PJ085507	QKMMMMM 	C36H67N9O9S5	929.3666	NA	PeJP	NA	NA
+PJ085508	GSEEHWW 	C43H51N11O13	929.3668	NA	PeJP	NA	NA
+PJ085509	CCDMFRR 	C36H59N13O10S3	929.367	NA	PeJP	NA	NA
+PJ085510	GGGCCCKFR 	C36H59N13O10S3	929.3671	NA	PeJP	NA	NA
+PJ085511	APCMHWW 	C44H55N11O8S2	929.3677	NA	PeJP	NA	NA
+PJ085512	LEEMMMF 	C40H63N7O12S3	929.3697	NA	PeJP	NA	NA
+PJ085513	SSCERYW 	C40H55N11O13S	929.3702	NA	PeJP	NA	NA
+PJ085514	SCCCCKKR 	C33H63N13O10S4	929.3704	NA	PeJP	NA	NA
+PJ085515	NDFYWW 	C48H51N9O11	929.3708	NA	PeJP	NA	NA
+PJ085516	GCMMFRW 	C41H59N11O8S3	929.3711	NA	PeJP	NA	NA
+PJ085517	PCNHHHW 	C41H51N15O9S	929.3715	NA	PeJP	NA	NA
+PJ085518	SSSSDERY 	C36H55N11O18	929.3727	NA	PeJP	NA	NA
+PJ085519	SNEMMRY 	C37H59N11O13S2	929.3736	NA	PeJP	NA	NA
+PJ085520	GNNNNNHF 	C37H51N15O14	929.374	NA	PeJP	NA	NA
+PJ085521	GGGGGGGGGNHF 	C37H51N15O14	929.3741	NA	PeJP	NA	NA
+PJ085522	GSTMYWW 	C45H55N9O11S	929.3742	NA	PeJP	NA	NA
+PJ085523	LMMMMHH 	C38H63N11O8S4	929.3744	NA	PeJP	NA	NA
+PJ085524	CCQHHFR 	C38H55N15O9S2	929.3749	NA	PeJP	NA	NA
+PJ085525	GSSSSSSTCK 	C33H59N11O18S	929.3761	NA	PeJP	NA	NA
+PJ085526	GSSTTEYW 	C41H55N9O16	929.3767	NA	PeJP	NA	NA
+PJ085527	SSSTMMMR 	C34H63N11O13S3	929.3769	NA	PeJP	NA	NA
+PJ085528	CDDEHRR 	C34H55N15O14S	929.3774	NA	PeJP	NA	NA
+PJ085529	GDKMMYW 	C42H59N9O11S2	929.3776	NA	PeJP	NA	NA
+PJ085530	CKMMMMR 	C35H67N11O8S5	929.3778	NA	PeJP	NA	NA
+PJ085531	SSNNHWW 	C42H51N13O12	929.378	NA	PeJP	NA	NA
+PJ085532	GGSSNHWW 	C42H51N13O12	929.3781	NA	PeJP	NA	NA
+PJ085533	GCFFFFY 	C50H55N7O9S	929.3782	NA	PeJP	NA	NA
+PJ085534	GSSKEEMY 	C38H59N9O16S	929.3801	NA	PeJP	NA	NA
+PJ085535	GTTYYYY 	C46H55N7O14	929.3807	NA	PeJP	NA	NA
+PJ085536	VQQMMMY 	C39H63N9O11S3	929.3809	NA	PeJP	NA	NA
+PJ085537	GGLQMMMY 	C39H63N9O11S3	929.381	NA	PeJP	NA	NA
+PJ085538	GDEMHRW 	C39H55N13O12S	929.3814	NA	PeJP	NA	NA
+PJ085539	SEHWWW 	C47H51N11O10	929.3821	NA	PeJP	NA	NA
+PJ085540	SSSSSTLMM 	C35H63N9O16S2	929.3834	NA	PeJP	NA	NA
+PJ085541	GSSEEEHR 	C35H55N13O17	929.3839	NA	PeJP	NA	NA
+PJ085542	GGGGGPDEER 	C35H55N13O17	929.384	NA	PeJP	NA	NA
+PJ085543	PVEEMYY 	C43H59N7O14S	929.3841	NA	PeJP	NA	NA
+PJ085544	GTTKMMMM 	C36H67N9O11S4	929.3843	NA	PeJP	NA	NA
+PJ085545	SCDMRRY 	C36H59N13O12S2	929.3848	NA	PeJP	NA	NA
+PJ085546	NDDHHHR 	C36H51N17O13	929.3853	NA	PeJP	NA	NA
+PJ085547	AAEMHWW 	C44H55N11O10S	929.3854	NA	PeJP	NA	NA
+PJ085548	GVDMHWW 	C44H55N11O10S	929.3855	NA	PeJP	NA	NA
+PJ085549	TTQEEHW 	C40H55N11O15	929.3879	NA	PeJP	NA	NA
+PJ085550	SDKEEHW 	C40H55N11O15	929.388	NA	PeJP	NA	NA
+PJ085551	GSMMRYW 	C41H59N11O10S2	929.3888	NA	PeJP	NA	NA
+PJ085552	GQEHHHW 	C41H51N15O11	929.3893	NA	PeJP	NA	NA
+PJ085553	NMFFWW 	C49H55N9O8S	929.3895	NA	PeJP	NA	NA
+PJ085554	GSSTEMRY 	C37H59N11O15S	929.3913	NA	PeJP	NA	NA
+PJ085555	SSTTYWW 	C45H55N9O13	929.392	NA	PeJP	NA	NA
+PJ085556	AQMMMRY 	C38H63N11O10S3	929.3922	NA	PeJP	NA	NA
+PJ085557	SCNQHRW 	C38H55N15O11S	929.3926	NA	PeJP	NA	NA
+PJ085558	GGSCQHRW 	C38H55N15O11S	929.3927	NA	PeJP	NA	NA
+PJ085559	PCCKFFW 	C46H59N9O8S2	929.3928	NA	PeJP	NA	NA
+PJ085560	SSSSSSSSSK 	C33H59N11O20	929.3938	NA	PeJP	NA	NA
+PJ085561	SSSSTCCKK 	C34H63N11O15S2	929.3947	NA	PeJP	NA	NA
+PJ085562	GNNNQQQQ 	C34H55N15O16	929.3951	NA	PeJP	NA	NA
+PJ085563	SSSNNEHR 	C34H55N15O16	929.3952	NA	PeJP	NA	NA
+PJ085564	SSKEMYW 	C42H59N9O13S	929.3953	NA	PeJP	NA	NA
+PJ085565	GPPVDEMW 	C42H59N9O13S	929.3954	NA	PeJP	NA	NA
+PJ085566	SCCCKKKM 	C35H67N11O10S4	929.3956	NA	PeJP	NA	NA
+PJ085567	QFFYYY 	C50H55N7O11	929.396	NA	PeJP	NA	NA
+PJ085568	GGGGGAMMHR 	C35H59N15O11S2	929.3961	NA	PeJP	NA	NA
+PJ085569	GKMMMFW 	C43H63N9O8S3	929.3962	NA	PeJP	NA	NA
+PJ085570	DMHRWW 	C43H55N13O9S	929.3967	NA	PeJP	NA	NA
+PJ085571	SSSTKEEY 	C38H59N9O18	929.3978	NA	PeJP	NA	NA
+PJ085572	GPLQEEEE 	C38H59N9O18	929.3979	NA	PeJP	NA	NA
+PJ085573	TQKEMMY 	C39H63N9O13S2	929.3987	NA	PeJP	NA	NA
+PJ085574	SSEEHRW 	C39H55N13O14	929.3992	NA	PeJP	NA	NA
+PJ085575	KMYYYY 	C47H59N7O11S	929.3993	NA	PeJP	NA	NA
+PJ085576	PPPMYYY 	C47H59N7O11S	929.3994	NA	PeJP	NA	NA
+PJ085577	PTCMHRW 	C40H59N13O9S2	929.4001	NA	PeJP	NA	NA
+PJ085578	PEHHHHH 	C40H51N17O10	929.4005	NA	PeJP	NA	NA
+PJ085579	CLHWWW 	C48H55N11O7S	929.4007	NA	PeJP	NA	NA
+PJ085580	SSTTTTTTM 	C35H63N9O18S	929.4012	NA	PeJP	NA	NA
+PJ085581	VVEEEYY 	C43H59N7O16	929.4019	NA	PeJP	NA	NA
+PJ085582	STTTKMMM 	C36H67N9O13S3	929.4021	NA	PeJP	NA	NA
+PJ085583	TQEEMHR 	C36H59N13O14S	929.4025	NA	PeJP	NA	NA
+PJ085584	GATEEMHR 	C36H59N13O14S	929.4026	NA	PeJP	NA	NA
+PJ085585	PLEMMFY 	C44H63N7O11S2	929.4027	NA	PeJP	NA	NA
+PJ085586	KKMMMMM 	C37H71N9O8S5	929.403	NA	PeJP	NA	NA
+PJ085587	ATTEHWW 	C44H55N11O12	929.4032	NA	PeJP	NA	NA
+PJ085588	ACMMRRY 	C37H63N13O9S3	929.4034	NA	PeJP	NA	NA
+PJ085589	GSPCHHHR 	C37H55N17O10S	929.4039	NA	PeJP	NA	NA
+PJ085590	QHHHWW 	C45H51N15O8	929.4045	NA	PeJP	NA	NA
+PJ085591	GAHHHWW 	C45H51N15O8	929.4046	NA	PeJP	NA	NA
+PJ085592	LLEMMMY 	C41H67N7O11S3	929.4061	NA	PeJP	NA	NA
+PJ085593	GNNNNNQR 	C33H55N17O15	929.4064	NA	PeJP	NA	NA
+PJ085594	SSTMRYW 	C41H59N11O12S	929.4066	NA	PeJP	NA	NA
+PJ085595	VNYYWW 	C49H55N9O10	929.4072	NA	PeJP	NA	NA
+PJ085596	CNNMHRR 	C34H59N17O10S2	929.4073	NA	PeJP	NA	NA
+PJ085597	CLHHHHF 	C42H55N15O8S	929.4079	NA	PeJP	NA	NA
+PJ085598	SSSTTERY 	C37H59N11O17	929.4091	NA	PeJP	NA	NA
+PJ085599	SDKMMRY 	C38H63N11O12S2	929.4099	NA	PeJP	NA	NA
+PJ085600	GGGSCKKMY 	C38H63N11O12S2	929.41	NA	PeJP	NA	NA
+PJ085601	GSSSNHRW 	C38H55N15O13	929.4104	NA	PeJP	NA	NA
+PJ085602	PPVDMWW 	C46H59N9O10S	929.4106	NA	PeJP	NA	NA
+PJ085603	CCKHHFR 	C39H59N15O8S2	929.4113	NA	PeJP	NA	NA
+PJ085604	SSSSTLYW 	C42H59N9O15	929.4131	NA	PeJP	NA	NA
+PJ085605	SDEMHRR 	C35H59N15O13S	929.4138	NA	PeJP	NA	NA
+PJ085606	ATKMMYW 	C43H63N9O10S2	929.414	NA	PeJP	NA	NA
+PJ085607	GPNDRWW 	C43H55N13O11	929.4144	NA	PeJP	NA	NA
+PJ085608	GGGPDRWW 	C43H55N13O11	929.4145	NA	PeJP	NA	NA
+PJ085609	PCMMHRR 	C36H63N15O8S3	929.4147	NA	PeJP	NA	NA
+PJ085610	GTTTKEMY 	C39H63N9O15S	929.4165	NA	PeJP	NA	NA
+PJ085611	PPVEYYY 	C47H59N7O13	929.4171	NA	PeJP	NA	NA
+PJ085612	VQKMMMY 	C40H67N9O10S3	929.4173	NA	PeJP	NA	NA
+PJ085613	GGPPPLMMM 	C40H67N9O10S3	929.4174	NA	PeJP	NA	NA
+PJ085614	ATEMHRW 	C40H59N13O11S	929.4178	NA	PeJP	NA	NA
+PJ085615	PQQWWW 	C48H55N11O9	929.4185	NA	PeJP	NA	NA
+PJ085616	PDEEERR 	C36H59N13O16	929.4203	NA	PeJP	NA	NA
+PJ085617	GGGGGGGGGGVLE 	C36H59N13O16	929.4204	NA	PeJP	NA	NA
+MJ098001	Nodulapeptin B; S-Oxide 	C44H63N7O13S	929.420455	NA	MeJP	NA	NA
+PJ085618	VLEEMFY 	C44H63N7O13S	929.4205	NA	PeJP	NA	NA
+PJ085619	SSMMRRY 	C37H63N13O11S2	929.4212	NA	PeJP	NA	NA
+PJ085620	SQEHHHR 	C37H55N17O12	929.4216	NA	PeJP	NA	NA
+PJ085621	TNEHHHR 	C37H55N17O12	929.4217	NA	PeJP	NA	NA
+PJ085622	GTLMHWW 	C45H59N11O9S	929.4218	NA	PeJP	NA	NA
+PJ085623	HFFFFW 	C53H55N9O7	929.4225	NA	PeJP	NA	NA
+PJ085624	PVDEERW 	C41H59N11O14	929.4243	NA	PeJP	NA	NA
+PJ085625	GGGGAPVTEW 	C41H59N11O14	929.4244	NA	PeJP	NA	NA
+PJ085626	GSSCQHRR 	C34H59N17O12S	929.425	NA	PeJP	NA	NA
+PJ085627	GGGGGGGPCRR 	C34H59N17O12S	929.4251	NA	PeJP	NA	NA
+PJ085628	PTKMMHW 	C42H63N11O9S2	929.4252	NA	PeJP	NA	NA
+PJ085629	GNNHFRW 	C42H55N15O10	929.4257	NA	PeJP	NA	NA
+PJ085630	SSSSLMRY 	C38H63N11O14S	929.4277	NA	PeJP	NA	NA
+PJ085631	SSPKYYW 	C46H59N9O12	929.4283	NA	PeJP	NA	NA
+PJ085632	APLEEWW 	C46H59N9O12	929.4284	NA	PeJP	NA	NA
+PJ085633	AKMMMRY 	C39H67N11O9S3	929.4286	NA	PeJP	NA	NA
+PJ085634	SCNKHRW 	C39H59N15O10S	929.429	NA	PeJP	NA	NA
+PJ085635	GGSCKHRW 	C39H59N15O10S	929.4291	NA	PeJP	NA	NA
+PJ085636	APPHHWW 	C47H55N13O8	929.4297	NA	PeJP	NA	NA
+PJ085637	ASPNDDRR 	C35H59N15O15	929.4315	NA	PeJP	NA	NA
+PJ085638	GSPNDERR 	C35H59N15O15	929.4316	NA	PeJP	NA	NA
+PJ085639	TTTKMYW 	C43H63N9O12S	929.4317	NA	PeJP	NA	NA
+PJ085640	KFFYYY 	C51H59N7O10	929.4324	NA	PeJP	NA	NA
+PJ085641	CFRRYW 	C44H59N13O8S	929.4331	NA	PeJP	NA	NA
+PJ085642	STTTTKEY 	C39H63N9O17	929.4342	NA	PeJP	NA	NA
+PJ085643	TKKEMMY 	C40H67N9O12S2	929.4351	NA	PeJP	NA	NA
+PJ085644	TTTEHRW 	C40H59N13O13	929.4356	NA	PeJP	NA	NA
+PJ085645	PPLMFYY 	C48H63N7O10S	929.4357	NA	PeJP	NA	NA
+PJ085646	PLEMFFF 	C48H63N7O10S	929.4358	NA	PeJP	NA	NA
+PJ085647	GLMMHRW 	C41H63N13O8S2	929.4364	NA	PeJP	NA	NA
+PJ085648	GTHHHRW 	C41H55N17O9	929.4369	NA	PeJP	NA	NA
+PJ085649	TLLEEYY 	C44H63N7O15	929.4382	NA	PeJP	NA	NA
+PJ085650	TKEEMHR 	C37H63N13O13S	929.4389	NA	PeJP	NA	NA
+PJ085651	AAAAPNEMR 	C37H63N13O13S	929.439	NA	PeJP	NA	NA
+PJ085652	PLLMMYY 	C45H67N7O10S2	929.4391	NA	PeJP	NA	NA
+PJ085653	STTLHWW 	C45H59N11O11	929.4396	NA	PeJP	NA	NA
+PJ085654	PKMMMHR 	C38H67N13O8S3	929.4398	NA	PeJP	NA	NA
+PJ085655	VNMHHHR 	C38H59N17O9S	929.4403	NA	PeJP	NA	NA
+PJ085656	KHHHWW 	C46H55N15O7	929.4409	NA	PeJP	NA	NA
+PJ085657	SSSSNHRR 	C34H59N17O14	929.4428	NA	PeJP	NA	NA
+PJ085658	AVQMRYY 	C42H63N11O11S	929.4429	NA	PeJP	NA	NA
+PJ085659	SLKEMHW 	C42H63N11O11S	929.443	NA	PeJP	NA	NA
+PJ085660	TKFYWW 	C50H59N9O9	929.4436	NA	PeJP	NA	NA
+PJ085661	GACCKHRR 	C35H63N17O9S2	929.4437	NA	PeJP	NA	NA
+PJ085662	STTTTTRY 	C38H63N11O16	929.4454	NA	PeJP	NA	NA
+PJ085663	GSSSSSKKY 	C38H63N11O16	929.4455	NA	PeJP	NA	NA
+PJ085664	TTKMMRY 	C39H67N11O11S2	929.4463	NA	PeJP	NA	NA
+PJ085665	GGGGPPVKMM 	C39H67N11O11S2	929.4464	NA	PeJP	NA	NA
+PJ085666	SPNDRRW 	C39H59N15O12	929.4468	NA	PeJP	NA	NA
+PJ085667	PPTLMWW 	C47H63N9O9S	929.447	NA	PeJP	NA	NA
+MJ098002	Liposidomycin; Liposidomycin B-I, Desulfo 	C42H67N5O18	929.44811	NA	MeJP	NA	NA
+MJ098003	Liposidomycin; Liposidomycin Y-I, 5,6,8,9-Tetrahydro, desulfo 	C42H67N5O18	929.44811	NA	MeJP	NA	NA
+PJ085668	PLKEEEW 	C43H63N9O14	929.4495	NA	PeJP	NA	NA
+PJ085669	TTEMHRR 	C36H63N15O12S	929.4502	NA	PeJP	NA	NA
+PJ085670	VQKMMFF 	C44H67N9O9S2	929.4503	NA	PeJP	NA	NA
+PJ085671	GPPVLMMW 	C44H67N9O9S2	929.4504	NA	PeJP	NA	NA
+PJ085672	GPTQRWW 	C44H59N13O10	929.4508	NA	PeJP	NA	NA
+PJ085673	GMHHHRR 	C37H59N19O8S	929.4515	NA	PeJP	NA	NA
+PJ085674	SSTTLKMY 	C40H67N9O14S	929.4528	NA	PeJP	NA	NA
+PJ085675	SPPLKEEM 	C40H67N9O14S	929.4529	NA	PeJP	NA	NA
+PJ085676	PVLEFYY 	C48H63N7O12	929.4535	NA	PeJP	NA	NA
+PJ085677	VKKMMMY 	C41H71N9O9S3	929.4537	NA	PeJP	NA	NA
+PJ085678	STLMHRW 	C41H63N13O10S	929.4542	NA	PeJP	NA	NA
+PJ085679	PQKWWW 	C49H59N11O8	929.4548	NA	PeJP	NA	NA
+PJ085680	GAPKWWW 	C49H59N11O8	929.4549	NA	PeJP	NA	NA
+PJ085681	SSTTLEHR 	C37H63N13O15	929.4567	NA	PeJP	NA	NA
+PJ085682	VLLEMYY 	C45H67N7O12S	929.4569	NA	PeJP	NA	NA
+PJ085683	VKEMMHR 	C38H67N13O10S2	929.4576	NA	PeJP	NA	NA
+PJ085684	GNNQRRW 	C38H59N17O11	929.458	NA	PeJP	NA	NA
+PJ085685	GGGGGQRRW 	C38H59N17O11	929.4581	NA	PeJP	NA	NA
+PJ085686	KMFRYW 	C46H63N11O8S	929.4582	NA	PeJP	NA	NA
+PJ085687	PTLEERW 	C42H63N11O13	929.4607	NA	PeJP	NA	NA
+PJ085688	PCNERRR 	C35H63N17O11S	929.4614	NA	PeJP	NA	NA
+PJ085689	PPLMMRW 	C43H67N11O8S2	929.4616	NA	PeJP	NA	NA
+7577	ACE inhibitor from chicken muscle	FKGRYYP	929.462	antioxidative	Inhouse_peptide	NA	peptide
+PJ085690	EHFRRW 	C43H59N15O9	929.4621	NA	PeJP	NA	NA
+PJ085691	SSSCKKKY 	C39H67N11O13S	929.4641	NA	PeJP	NA	NA
+PJ085692	SPLLEWW 	C47H63N9O11	929.4647	NA	PeJP	NA	NA
+PJ085693	AAPPLEFW 	C47H63N9O11	929.4648	NA	PeJP	NA	NA
+40	Creatine kinase	FKGRYYP	929.465	celiac toxic	Inhouse_peptide	NA	peptide
+PJ085694	GPQMRRW 	C40H63N15O9S	929.4654	NA	PeJP	NA	NA
+PJ085695	VHFRWW 	C48H59N13O7	929.4661	NA	PeJP	NA	NA
+PJ085696	VNQEERR 	C36H63N15O14	929.4679	NA	PeJP	NA	NA
+PJ085697	AAAAADERR 	C36H63N15O14	929.468	NA	PeJP	NA	NA
+PJ085698	AAPLLEMW 	C44H67N9O11S	929.4681	NA	PeJP	NA	NA
+PJ085699	PPLFFFY 	C52H63N7O9	929.4688	NA	PeJP	NA	NA
+PJ085700	STHHHRR 	C37H59N19O10	929.4693	NA	PeJP	NA	NA
+PJ085701	SPVLKEEE 	C40H67N9O16	929.4706	NA	PeJP	NA	NA
+PJ085702	PPVVKEMM 	C41H71N9O11S2	929.4715	NA	PeJP	NA	NA
+PJ085703	SPQKERW 	C41H63N13O12	929.4719	NA	PeJP	NA	NA
+PJ085704	PTNKERW 	C41H63N13O12	929.472	NA	PeJP	NA	NA
+PJ085705	PLLMFFY 	C49H67N7O9S	929.4721	NA	PeJP	NA	NA
+PJ085706	LLHHHHH 	C42H59N17O8	929.4733	NA	PeJP	NA	NA
+PJ085707	PLEEMRR 	C38H67N13O12S	929.4753	NA	PeJP	NA	NA
+PJ085708	GGGGGAAPKKM 	C38H67N13O12S	929.4754	NA	PeJP	NA	NA
+PJ085709	LLLMMFY 	C46H71N7O9S2	929.4755	NA	PeJP	NA	NA
+PJ085710	GPKKEWW 	C46H63N11O10	929.476	NA	PeJP	NA	NA
+PJ085711	GPCRRRW 	C39H63N17O8S	929.4767	NA	PeJP	NA	NA
+PJ085712	SQQQQRR 	C35H63N17O13	929.4791	NA	PeJP	NA	NA
+PJ085713	GQEERRR 	C35H63N17O13	929.4792	NA	PeJP	NA	NA
+PJ085714	PLQQKMW 	C43H67N11O10S	929.4793	NA	PeJP	NA	NA
+PJ085715	PVLEMRW 	C43H67N11O10S	929.4794	NA	PeJP	NA	NA
+PJ085716	PPVVFWW 	C51H63N9O8	929.48	NA	PeJP	NA	NA
+PJ085717	SSPLLEER 	C39H67N11O15	929.4818	NA	PeJP	NA	NA
+PJ085718	AALLEEER 	C39H67N11O15	929.4819	NA	PeJP	NA	NA
+PJ085719	SPPVLMMR 	C40H71N11O10S2	929.4827	NA	PeJP	NA	NA
+3416	ACE inhibitor	PSKIKWGD	929.4829	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ085720	GVQERRW 	C40H63N15O11	929.4832	NA	PeJP	NA	NA
+PJ085721	PVVLMWW 	C48H67N9O8S	929.4834	NA	PeJP	NA	NA
+PJ085722	LLLQEEW 	C44H67N9O13	929.4859	NA	PeJP	NA	NA
+PJ085723	PNKEMRR 	C37H67N15O11S	929.4866	NA	PeJP	NA	NA
+PJ085724	VKKMMFF 	C45H71N9O8S2	929.4867	NA	PeJP	NA	NA
+PJ085725	GPTKRWW 	C45H63N13O9	929.4872	NA	PeJP	NA	NA
+PJ085726	SPLLLQEM 	C41H71N9O13S	929.4892	NA	PeJP	NA	NA
+PJ085727	APLLKEEM 	C41H71N9O13S	929.4893	NA	PeJP	NA	NA
+MJ098004	Anabaenopeptin G 	C49H67N7O11	929.489856	NA	MeJP	NA	NA
+MJ098005	Oscillamide H 	C49H67N7O11	929.489856	NA	MeJP	NA	NA
+PJ085728	PVLLYYY 	C49H67N7O11	929.4899	NA	PeJP	NA	NA
+PJ085729	GDDRRRR 	C34H63N19O12	929.4904	NA	PeJP	NA	NA
+PJ085730	PVNKMRW 	C42H67N13O9S	929.4906	NA	PeJP	NA	NA
+PJ085731	PKKWWW 	C50H63N11O7	929.4912	NA	PeJP	NA	NA
+PJ085732	VLEEERR 	C38H67N13O14	929.4931	NA	PeJP	NA	NA
+PJ085733	APPCKKMR 	C39H71N13O9S2	929.494	NA	PeJP	NA	NA
+PJ085734	QERRRW 	C39H63N17O10	929.4944	NA	PeJP	NA	NA
+PJ085735	VVLEERW 	C43H67N11O12	929.4971	NA	PeJP	NA	NA
+PJ085736	SPQMRRR 	C36H67N17O10S	929.4978	NA	PeJP	NA	NA
+PJ085737	VQRRWW 	C44H63N15O8	929.4984	NA	PeJP	NA	NA
+PJ085738	GGLRRWW 	C44H63N15O8	929.4985	NA	PeJP	NA	NA
+PJ085739	APTLLEMR 	C40H71N11O12S	929.5005	NA	PeJP	NA	NA
+PJ085740	ALLLEWW 	C48H67N9O10	929.5011	NA	PeJP	NA	NA
+PJ085741	GPKMRRW 	C41H67N15O8S	929.5018	NA	PeJP	NA	NA
+PJ085742	VNKEERR 	C37H67N15O13	929.5043	NA	PeJP	NA	NA
+PJ085743	GGGGGGGGAKKK 	C37H67N15O13	929.5044	NA	PeJP	NA	NA
+PJ085744	GPTLLLMW 	C45H71N9O10S	929.5045	NA	PeJP	NA	NA
+PJ085745	CKKKMHR 	C38H71N15O8S2	929.5052	NA	PeJP	NA	NA
+PJ085746	GLLLKEEE 	C41H71N9O15	929.507	NA	PeJP	NA	NA
+PJ085747	PPTLLKMM 	C42H75N9O10S2	929.5079	NA	PeJP	NA	NA
+PJ085748	SPKKERW 	C42H67N13O11	929.5083	NA	PeJP	NA	NA
+PJ085749	GAALKERW 	C42H67N13O11	929.5084	NA	PeJP	NA	NA
+PJ085750	LLLMFFF 	C50H71N7O8S	929.5085	NA	PeJP	NA	NA
+PJ085751	SPCRRRR 	C35H67N19O9S	929.509	NA	PeJP	NA	NA
+PJ085752	ARRRWW 	C43H63N17O7	929.5097	NA	PeJP	NA	NA
+PJ085753	AAPKKEMR 	C39H71N13O11S	929.5117	NA	PeJP	NA	NA
+PJ085754	SPVKKWW 	C47H67N11O9	929.5124	NA	PeJP	NA	NA
+PJ085755	NNDKKRR 	C36H67N17O12	929.5155	NA	PeJP	NA	NA
+PJ085756	GKEERRR 	C36H67N17O12	929.5156	NA	PeJP	NA	NA
+PJ085757	PLQKKMW 	C44H71N11O9S	929.5157	NA	PeJP	NA	NA
+PJ085758	GTLLLEER 	C40H71N11O14	929.5182	NA	PeJP	NA	NA
+PJ085759	GGGLLKKEE 	C40H71N11O14	929.5183	NA	PeJP	NA	NA
+PJ085760	GPLLLMMR 	C41H75N11O9S2	929.5191	NA	PeJP	NA	NA
+PJ085761	GVKERRW 	C41H67N15O10	929.5196	NA	PeJP	NA	NA
+PJ085762	SPPLLLQY 	C45H71N9O12	929.5222	NA	PeJP	NA	NA
+PJ085763	LLLKEEW 	C45H71N9O12	929.5223	NA	PeJP	NA	NA
+PJ085764	VLQQMRR 	C38H71N15O10S	929.5229	NA	PeJP	NA	NA
+PJ085765	PDKKMRR 	C38H71N15O10S	929.523	NA	PeJP	NA	NA
+PJ085766	AALKRWW 	C46H67N13O8	929.5236	NA	PeJP	NA	NA
+PJ085767	SPLLLKEM 	C42H75N9O12S	929.5256	NA	PeJP	NA	NA
+PJ085768	VLLLFYY 	C50H71N7O10	929.5263	NA	PeJP	NA	NA
+PJ085769	GTERRRR 	C35H67N19O11	929.5268	NA	PeJP	NA	NA
+PJ085770	PCLKKRW 	C43H71N13O8S	929.527	NA	PeJP	NA	NA
+PJ085771	LQKKEER 	C39H71N13O13	929.5295	NA	PeJP	NA	NA
+PJ085772	KKKKMMH 	C40H75N13O8S2	929.5303	NA	PeJP	NA	NA
+PJ085773	KERRRW 	C40H67N17O9	929.5308	NA	PeJP	NA	NA
+PJ085774	TLLLERW 	C44H71N11O11	929.5335	NA	PeJP	NA	NA
+PJ085775	SPKMRRR 	C37H71N17O9S	929.5342	NA	PeJP	NA	NA
+PJ085776	VKRRWW 	C45H67N15O7	929.5348	NA	PeJP	NA	NA
+PJ085777	GVLLLEMR 	C41H75N11O11S	929.5369	NA	PeJP	NA	NA
+PJ085778	SLLLLWW 	C49H71N9O9	929.5375	NA	PeJP	NA	NA
+PJ085779	VDKKERR 	C38H71N15O12	929.5407	NA	PeJP	NA	NA
+PJ085780	AALLLLMW 	C46H75N9O9S	929.5409	NA	PeJP	NA	NA
+PJ085781	TRRRRW 	C39H67N19O8	929.542	NA	PeJP	NA	NA
+PJ085782	SVLLLKEE 	C42H75N9O14	929.5434	NA	PeJP	NA	NA
+PJ085783	PVVLLKMM 	C43H79N9O9S2	929.5443	NA	PeJP	NA	NA
+PJ085784	ALKKERW 	C43H71N13O10	929.5447	NA	PeJP	NA	NA
+PJ085785	GVMRRRR 	C36H71N19O8S	929.5454	NA	PeJP	NA	NA
+PJ085786	LLLEMRR 	C40H75N13O10S	929.5481	NA	PeJP	NA	NA
+PJ085787	AVLKKWW 	C48H71N11O8	929.5487	NA	PeJP	NA	NA
+PJ085788	GLLKKWW 	C48H71N11O8	929.5488	NA	PeJP	NA	NA
+PJ085789	SVKERRR 	C37H71N17O11	929.5519	NA	PeJP	NA	NA
+PJ085790	GGGATKKRR 	C37H71N17O11	929.552	NA	PeJP	NA	NA
+PJ085791	VLLLMRW 	C45H75N11O8S	929.5521	NA	PeJP	NA	NA
+PJ085792	SSLLLLER 	C41H75N11O13	929.5546	NA	PeJP	NA	NA
+PJ085793	ATLKRRW 	C42H71N15O9	929.556	NA	PeJP	NA	NA
+PJ085794	MRRRRR 	C35H71N21O7S	929.5567	NA	PeJP	NA	NA
+PJ085795	ATTLLLLW 	C46H75N9O11	929.5586	NA	PeJP	NA	NA
+PJ085796	GAAPLLLLY 	C46H75N9O11	929.5587	NA	PeJP	NA	NA
+PJ085797	VLQKMRR 	C39H75N15O9S	929.5593	NA	PeJP	NA	NA
+PJ085798	ALLLLKEM 	C43H79N9O11S	929.562	NA	PeJP	NA	NA
+PJ085799	SSLRRRR 	C36H71N19O10	929.5632	NA	PeJP	NA	NA
+PJ085800	ATTILQKR 	C40H75N13O12	929.5658	NA	PeJP	NA	NA
+PJ085801	LKKKEER 	C40H75N13O12	929.5659	NA	PeJP	NA	NA
+PJ085802	APKFRRR 	C41H71N17O8	929.5672	NA	PeJP	NA	NA
+MJ098006	Antibiotic SUAM 20007 	C44H79N7O14	929.5685	NA	MeJP	NA	NA
+PJ085803	VLKKKEW 	C45H75N11O10	929.5699	NA	PeJP	NA	NA
+PJ085804	ALKMRRR 	C38H75N17O8S	929.5706	NA	PeJP	NA	NA
+PJ085805	ATLLLLMR 	C42H79N11O10S	929.5733	NA	PeJP	NA	NA
+MJ098007	Ditekiren 	C50H75N9O8	929.57386	NA	MeJP	NA	NA
+PJ085806	TLKKERR 	C39H75N15O11	929.5771	NA	PeJP	NA	NA
+PJ085807	TTLLLLKE 	C43H79N9O13	929.5798	NA	PeJP	NA	NA
+PJ085808	SLLKKRW 	C44H75N13O9	929.5811	NA	PeJP	NA	NA
+PJ085809	AALLKKMR 	C41H79N13O9S	929.5845	NA	PeJP	NA	NA
+PJ085810	TTLKRRR 	C38H75N17O10	929.5883	NA	PeJP	NA	NA
+PJ085811	TTTLLLLR 	C42H79N11O12	929.591	NA	PeJP	NA	NA
+PJ085812	GKKKKRW 	C43H75N15O8	929.5923	NA	PeJP	NA	NA
+PJ085813	PVKKFRR 	C43H75N15O8	929.5924	NA	PeJP	NA	NA
+MJ098008	Circulocin ? 	C47H79N9O10	929.594989	NA	MeJP	NA	NA
+PJ085814	APLLLLKY 	C47H79N9O10	929.595	NA	PeJP	NA	NA
+PJ085815	VLKKMRR 	C40H79N15O8S	929.5957	NA	PeJP	NA	NA
+PJ085816	SLLLLLKM 	C44H83N9O10S	929.5984	NA	PeJP	NA	NA
+PJ085817	ATTLLKKR 	C41H79N13O11	929.6022	NA	PeJP	NA	NA
+PJ085818	AAKKKKKE 	C41H79N13O11	929.6023	NA	PeJP	NA	NA
+PJ085819	GVLLLLFR 	C46H79N11O9	929.6063	NA	PeJP	NA	NA
+PJ085820	GLLLKKKM 	C43H83N11O9S	929.6096	NA	PeJP	NA	NA
+PJ085821	DKKKKKR 	C40H79N15O10	929.6135	NA	PeJP	NA	NA
+MJ098009	Nephilatoxin 4 	C45H79N13O8	929.617456	NA	MeJP	NA	NA
+PJ085822	LLLLFRR 	C45H79N13O8	929.6175	NA	PeJP	NA	NA
+PJ085823	SKKKKRR 	C39H79N17O9	929.6247	NA	PeJP	NA	NA
+PJ085824	STLLLKKK 	C43H83N11O11	929.6274	NA	PeJP	NA	NA
+PJ085825	ALLLLLKF 	C48H83N9O9	929.6314	NA	PeJP	NA	NA
+PJ085826	GTLKKKKK 	C42H83N13O10	929.6386	NA	PeJP	NA	NA
+MJ098010	Primycin; Primycin A1, 18-De(arabinosyloxy) 	C50H95N3O12	929.691575	NA	MeJP	NA	NA
+HMDB08552	PC(22:0/24:0)	C54H108NO8P	929.78125	NA	HMDB2010	NA	NA
+HMDB08775	PC(24:0/22:0)	C54H108NO8P	929.78125	NA	HMDB2010	NA	NA
+3234	bombolitin III from venom of bumble bee (Megabombu	IKIMDILAKLGKVLAHV~	930.07915	MH2+	Inhouse_peptide	NA	peptide
+PJ085827	CCCCCCMY 	C32H50N8O10S7	930.1695	NA	PeJP	NA	NA
+PJ085828	CCCCCEMH 	C31H50N10O11S6	930.1985	NA	PeJP	NA	NA
+PJ085829	CCCCCCFF 	C36H50N8O9S6	930.2025	NA	PeJP	NA	NA
+PJ085830	CCDDDDDM 	C31H46N8O19S3	930.2042	NA	PeJP	NA	NA
+PJ085831	GSCCCNDDD 	C30H46N10O18S3	930.2154	NA	PeJP	NA	NA
+PJ085832	GPCCCCCNE 	C31H50N10O13S5	930.2163	NA	PeJP	NA	NA
+PJ085833	ACCCCCYY 	C36H50N8O11S5	930.2203	NA	PeJP	NA	NA
+PJ085834	PCCCCCNW 	C35H50N10O10S5	930.2315	NA	PeJP	NA	NA
+PJ085835	CCCNNDEM 	C31H50N10O15S4	930.234	NA	PeJP	NA	NA
+PJ085836	GGGGCCCDEM 	C31H50N10O15S4	930.2341	NA	PeJP	NA	NA
+PJ085837	TCCCCMMH 	C32H54N10O10S6	930.2349	NA	PeJP	NA	NA
+PJ085838	SSCCCCYY 	C36H50N8O13S4	930.238	NA	PeJP	NA	NA
+PJ085839	SCDDDDMM 	C32H50N8O18S3	930.2406	NA	PeJP	NA	NA
+PJ085840	PCCCDEMM 	C33H54N8O13S5	930.2414	NA	PeJP	NA	NA
+PJ085841	CCCCNDDR 	C30H50N12O14S4	930.2453	NA	PeJP	NA	NA
+PJ085842	GCCCNDMW 	C35H50N10O12S4	930.2493	NA	PeJP	NA	NA
+PJ085843	GSSCCNDDM 	C31H50N10O17S3	930.2518	NA	PeJP	NA	NA
+PJ085844	GSPCCCCQM 	C32H54N10O12S5	930.2527	NA	PeJP	NA	NA
+PJ085845	GCDDDDEY 	C35H46N8O20S	930.255	NA	PeJP	NA	NA
+PJ085846	PCCCDDEF 	C36H50N8O15S3	930.2558	NA	PeJP	NA	NA
+PJ085847	GCDDEMMM 	C33H54N8O15S4	930.2592	NA	PeJP	NA	NA
+PJ085848	SCCDDDHH 	C33H46N12O16S2	930.2597	NA	PeJP	NA	NA
+PJ085849	PCCCCEHH 	C34H50N12O11S4	930.2605	NA	PeJP	NA	NA
+PJ085850	SSSCCCNNN 	C30H50N12O16S3	930.263	NA	PeJP	NA	NA
+PJ085851	GSPCCCCCR 	C31H54N12O11S5	930.2639	NA	PeJP	NA	NA
+PJ085852	CCCCQWW 	C39H50N10O9S4	930.2645	NA	PeJP	NA	NA
+PJ085853	GACCCCWW 	C39H50N10O9S4	930.2646	NA	PeJP	NA	NA
+PJ085854	PCDDDDDH 	C34H46N10O19S	930.2662	NA	PeJP	NA	NA
+PJ085855	SSCCCNEW 	C35H50N10O14S3	930.267	NA	PeJP	NA	NA
+PJ085856	GGSSCCCEW 	C35H50N10O14S3	930.2671	NA	PeJP	NA	NA
+PJ085857	GCCCMMHF 	C36H54N10O9S5	930.2679	NA	PeJP	NA	NA
+PJ085858	SSSSCCNDE 	C31H50N10O19S2	930.2695	NA	PeJP	NA	NA
+PJ085859	GGSSSSCCDE 	C31H50N10O19S2	930.2696	NA	PeJP	NA	NA
+PJ085860	CDDDDYW 	C39H46N8O17S	930.2702	NA	PeJP	NA	NA
+PJ085861	SCCNNEMM 	C32H54N10O14S4	930.2704	NA	PeJP	NA	NA
+PJ085862	CCCNYYY 	C40H50N8O12S3	930.2711	NA	PeJP	NA	NA
+PJ085863	SSDDDDDY 	C35H46N8O22	930.2727	NA	PeJP	NA	NA
+PJ085864	SPCCDDEY 	C36H50N8O17S2	930.2736	NA	PeJP	NA	NA
+PJ085865	CDDMMMW 	C37H54N8O12S4	930.2744	NA	PeJP	NA	NA
+PJ085866	SSDDDMMM 	C33H54N8O17S3	930.2769	NA	PeJP	NA	NA
+PJ085867	SPCCEMMM 	C34H58N8O12S5	930.2778	NA	PeJP	NA	NA
+PJ085868	CCCNNNNF 	C34H50N12O13S3	930.2783	NA	PeJP	NA	NA
+MJ098011	6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1,2'-Bis-O-(4-hydroxy-3,5-dimethoxycinnamoyl), 2-O-(4-hydroxy-3-methoxycinnamoyl) 	C44H50O22	930.279373	NA	MeJP	NA	NA
+PJ085869	SCCCCQER 	C31H54N12O13S4	930.2816	NA	PeJP	NA	NA
+PJ085870	SCCCNDMR 	C31H54N12O13S4	930.2817	NA	PeJP	NA	NA
+PJ085871	GSSCCCWW 	C39H50N10O11S3	930.2823	NA	PeJP	NA	NA
+PJ085872	GDDDDEEH 	C34H46N10O21	930.284	NA	PeJP	NA	NA
+PJ085873	GSSSSCCDW 	C35H50N10O16S2	930.2848	NA	PeJP	NA	NA
+PJ085874	GSCCNMMW 	C36H54N10O11S4	930.2857	NA	PeJP	NA	NA
+PJ085875	GSSSSSSCDD 	C31H50N10O21S	930.2873	NA	PeJP	NA	NA
+PJ085876	GSSSCNDMM 	C32H54N10O16S3	930.2882	NA	PeJP	NA	NA
+PJ085877	CDDDMFW 	C40H50N8O14S2	930.2888	NA	PeJP	NA	NA
+PJ085878	GCNNMMMM 	C33H58N10O11S5	930.289	NA	PeJP	NA	NA
+PJ085879	GGGCNMMMM 	C33H58N10O11S5	930.2891	NA	PeJP	NA	NA
+PJ085880	SCCCNQHH 	C33H50N14O12S3	930.2895	NA	PeJP	NA	NA
+PJ085881	GSDDDEMY 	C36H50N8O19S	930.2913	NA	PeJP	NA	NA
+PJ085882	GPCDDMMY 	C37H54N8O14S3	930.2922	NA	PeJP	NA	NA
+PJ085883	PPCCCMMF 	C38H58N8O9S5	930.2931	NA	PeJP	NA	NA
+PJ085884	CCDMHHW 	C38H50N12O10S3	930.2935	NA	PeJP	NA	NA
+PJ085885	SNNDDDDH 	C33H46N12O20	930.2952	NA	PeJP	NA	NA
+PJ085886	GSDEMMMM 	C34H58N8O14S4	930.2956	NA	PeJP	NA	NA
+PJ085887	SCCNNNNY 	C34H50N12O15S2	930.296	NA	PeJP	NA	NA
+PJ085888	GGGGGGSCCNY 	C34H50N12O15S2	930.2961	NA	PeJP	NA	NA
+PJ085889	GPCMMMMM 	C35H62N8O9S6	930.2964	NA	PeJP	NA	NA
+PJ085890	GTCCCCRW 	C35H54N12O10S4	930.2969	NA	PeJP	NA	NA
+PJ085891	DDDDEHW 	C38H46N10O18	930.2992	NA	PeJP	NA	NA
+PJ085892	GSSSCCCER 	C31H54N12O15S3	930.2994	NA	PeJP	NA	NA
+PJ085893	CCNNEYW 	C39H50N10O13S2	930.3001	NA	PeJP	NA	NA
+PJ085894	GCCCQMMR 	C32H58N12O10S5	930.3003	NA	PeJP	NA	NA
+PJ085895	CCCCKWW 	C40H54N10O8S4	930.3009	NA	PeJP	NA	NA
+PJ085896	SSCNNDEY 	C35H50N10O18S	930.3026	NA	PeJP	NA	NA
+PJ085897	SSSCCQMW 	C36H54N10O13S3	930.3034	NA	PeJP	NA	NA
+PJ085898	GGGGGCDMMF 	C36H54N10O13S3	930.3035	NA	PeJP	NA	NA
+MJ098012	Perdeacyleuojaponin; 2-(3-Pyridinecarbonyl), 6-benzoyl, 1,8,9,14-tetra-Ac 	C47H50N2O18	930.305862	NA	MeJP	NA	NA
+MJ098013	Perdeacylwilforine; 6-(3-Pyridinecarbonyl), 2-benzoyl, 1,8,9,14-tetra-Ac 	C47H50N2O18	930.305862	NA	MeJP	NA	NA
+PJ085899	SSSSSCNEM 	C32H54N10O18S2	930.3059	NA	PeJP	NA	NA
+MJ098014	Tamarindose 	C34H58O29	930.306375	NA	MeJP	NA	NA
+PJ085900	SDDDMYW 	C40H50N8O16S	930.3066	NA	PeJP	NA	NA
+PJ085901	SSCNQMMM 	C33H58N10O13S4	930.3068	NA	PeJP	NA	NA
+PJ085902	GSSSCCNHH 	C33H50N14O14S2	930.3073	NA	PeJP	NA	NA
+PJ085903	PCCEMYW 	C41H54N8O11S3	930.3075	NA	PeJP	NA	NA
+PJ085904	SSSDDEEY 	C36H50N8O21	930.3091	NA	PeJP	NA	NA
+PJ085905	DDQEMMY 	C37H54N8O16S2	930.3099	NA	PeJP	NA	NA
+PJ085906	NDEEMMY 	C37H54N8O16S2	930.31	NA	PeJP	NA	NA
+PJ085907	SDMMMMW 	C38H58N8O11S4	930.3108	NA	PeJP	NA	NA
+PJ085908	GPCCNDHW 	C38H50N12O12S2	930.3113	NA	PeJP	NA	NA
+PJ085909	GCCCCMRR 	C31H58N14O9S5	930.3115	NA	PeJP	NA	NA
+PJ085910	SSSEEMMM 	C34H58N8O16S3	930.3133	NA	PeJP	NA	NA
+PJ085911	GNNDDEMH 	C34H50N12O17S	930.3138	NA	PeJP	NA	NA
+PJ085912	QEMMMMM 	C35H62N8O11S5	930.3142	NA	PeJP	NA	NA
+PJ085913	SSSCCCRW 	C35H54N12O12S3	930.3147	NA	PeJP	NA	NA
+PJ085914	GCCNYWW 	C43H50N10O10S2	930.3153	NA	PeJP	NA	NA
+PJ085915	SSSSSCCDR 	C31H54N12O17S2	930.3172	NA	PeJP	NA	NA
+PJ085916	GSSCNDYW 	C39H50N10O15S	930.3178	NA	PeJP	NA	NA
+PJ085917	SSCCNMMR 	C32H58N12O12S4	930.318	NA	PeJP	NA	NA
+PJ085918	CCNQMFW 	C40H54N10O10S3	930.3187	NA	PeJP	NA	NA
+PJ085919	GSSSSNDDY 	C35H50N10O20	930.3203	NA	PeJP	NA	NA
+PJ085920	GSSSSSCMW 	C36H54N10O15S2	930.3212	NA	PeJP	NA	NA
+PJ085921	GTCCCKMW 	C37H58N10O10S4	930.3221	NA	PeJP	NA	NA
+PJ085922	GCCNNHHF 	C37H50N14O11S2	930.3225	NA	PeJP	NA	NA
+PJ085923	GGGGGCCHHF 	C37H50N14O11S2	930.3226	NA	PeJP	NA	NA
+PJ085924	GSSSSSSSDM 	C32H54N10O20S	930.3237	NA	PeJP	NA	NA
+PJ085925	GSPDDDYY 	C40H50N8O18	930.3243	NA	PeJP	NA	NA
+PJ085926	GGDDEEFY 	C40H50N8O18	930.3244	NA	PeJP	NA	NA
+PJ085927	GSSSSNMMM 	C33H58N10O15S3	930.3246	NA	PeJP	NA	NA
+PJ085928	GCNDDDHR 	C33H50N14O16S	930.325	NA	PeJP	NA	NA
+PJ085929	GGGCDDDHR 	C33H50N14O16S	930.3251	NA	PeJP	NA	NA
+PJ085930	GDEMMYW 	C41H54N8O13S2	930.3252	NA	PeJP	NA	NA
+PJ085931	CEMMMMR 	C34H62N10O10S5	930.3254	NA	PeJP	NA	NA
+PJ085932	SCCCNKHH 	C34H54N14O11S3	930.3259	NA	PeJP	NA	NA
+PJ085933	GSSEEEMY 	C37H54N8O18S	930.3277	NA	PeJP	NA	NA
+PJ085934	GSPDMMMY 	C38H58N8O13S3	930.3286	NA	PeJP	NA	NA
+PJ085935	NNDDMHW 	C38H50N12O14S	930.3291	NA	PeJP	NA	NA
+PJ085936	STCCCCRR 	C31H58N14O11S4	930.3293	NA	PeJP	NA	NA
+PJ085937	AMMMMMW 	C39H62N8O8S5	930.3295	NA	PeJP	NA	NA
+PJ085938	CCCNFRW 	C39H54N12O9S3	930.3299	NA	PeJP	NA	NA
+PJ085939	SSNNDEEH 	C34H50N12O19	930.3316	NA	PeJP	NA	NA
+PJ085940	GTTEMMMM 	C35H62N8O13S4	930.332	NA	PeJP	NA	NA
+PJ085941	GSCCNERY 	C35H54N12O14S2	930.3324	NA	PeJP	NA	NA
+PJ085942	NMMMMHH 	C36H58N12O9S4	930.3333	NA	PeJP	NA	NA
+PJ085943	GTCCHHHH 	C36H50N16O10S2	930.3338	NA	PeJP	NA	NA
+PJ085944	SDEEEHW 	C39H50N10O17	930.3356	NA	PeJP	NA	NA
+PJ085945	GSSSTCCMR 	C32H58N12O14S3	930.3358	NA	PeJP	NA	NA
+PJ085946	SCNQMYW 	C40H54N10O12S2	930.3364	NA	PeJP	NA	NA
+PJ085947	GGGGTCMYW 	C40H54N10O12S2	930.3365	NA	PeJP	NA	NA
+PJ085948	GCCCKMMR 	C33H62N12O9S5	930.3367	NA	PeJP	NA	NA
+PJ085949	SSSSSSTCW 	C36H54N10O17S	930.3389	NA	PeJP	NA	NA
+PJ085950	GGGGSSSEMY 	C36H54N10O17S	930.339	NA	PeJP	NA	NA
+PJ085951	GDDEFYW 	C44H50N8O15	930.3396	NA	PeJP	NA	NA
+PJ085952	SSSCCKMW 	C37H58N10O12S3	930.3398	NA	PeJP	NA	NA
+PJ085953	GSCNNNHW 	C37H50N14O13S	930.3403	NA	PeJP	NA	NA
+PJ085954	DMMYWW 	C45H54N8O10S2	930.3405	NA	PeJP	NA	NA
+PJ085955	SSSSSSSSSE 	C32H54N10O22	930.3414	NA	PeJP	NA	NA
+PJ085956	SSSSSSQMM 	C33H58N10O17S2	930.3423	NA	PeJP	NA	NA
+PJ085957	GSSSNNNDH 	C33H50N14O18	930.3428	NA	PeJP	NA	NA
+PJ085958	SSEEMYW 	C41H54N8O15S	930.343	NA	PeJP	NA	NA
+PJ085959	SSCNKMMM 	C34H62N10O12S4	930.3432	NA	PeJP	NA	NA
+PJ085960	SPCCNDHR 	C34H54N14O13S2	930.3437	NA	PeJP	NA	NA
+PJ085961	PTCMMYW 	C42H58N8O10S3	930.3438	NA	PeJP	NA	NA
+PJ085962	GCNEHWW 	C42H50N12O11S	930.3443	NA	PeJP	NA	NA
+PJ085963	SSSTEEEY 	C37H54N8O20	930.3455	NA	PeJP	NA	NA
+PJ085964	TQEEMMY 	C38H58N8O15S2	930.3463	NA	PeJP	NA	NA
+PJ085965	PPPDDEMM 	C38H58N8O15S2	930.3464	NA	PeJP	NA	NA
+PJ085966	GSSNDEHW 	C38H50N12O16	930.3468	NA	PeJP	NA	NA
+PJ085967	EMYYYY 	C46H54N6O13S	930.347	NA	PeJP	NA	NA
+PJ085968	TTMMMMW 	C39H62N8O10S4	930.3472	NA	PeJP	NA	NA
+PJ085969	SCCNRYW 	C39H54N12O11S2	930.3477	NA	PeJP	NA	NA
+PJ085970	STTTEMMM 	C35H62N8O15S3	930.3497	NA	PeJP	NA	NA
+PJ085971	SSSCNDRY 	C35H54N12O16S	930.3502	NA	PeJP	NA	NA
+PJ085972	KEMMMMM 	C36H66N8O10S5	930.3506	NA	PeJP	NA	NA
+PJ085973	GNNDYYW 	C43H50N10O14	930.3508	NA	PeJP	NA	NA
+PJ085974	CNNMMRY 	C36H58N12O11S3	930.351	NA	PeJP	NA	NA
+PJ085975	GGCNMMRY 	C36H58N12O11S3	930.3511	NA	PeJP	NA	NA
+PJ085976	SSSCHHHH 	C36H50N16O12S	930.3515	NA	PeJP	NA	NA
+PJ085977	CCQHFFF 	C44H54N10O9S2	930.3517	NA	PeJP	NA	NA
+PJ085978	SSSSSSCMR 	C32H58N12O16S2	930.3535	NA	PeJP	NA	NA
+PJ085979	NNNNNNNN 	C32H50N16O17	930.354	NA	PeJP	NA	NA
+PJ085980	GGGGGGGGGGNNN 	C32H50N16O17	930.3541	NA	PeJP	NA	NA
+PJ085981	GSSSNMYW 	C40H54N10O14S	930.3542	NA	PeJP	NA	NA
+PJ085982	STCCCKMR 	C33H62N12O11S4	930.3544	NA	PeJP	NA	NA
+PJ085983	DDFYWW 	C48H50N8O12	930.3549	NA	PeJP	NA	NA
+PJ085984	CCNKMFW 	C41H58N10O9S3	930.3551	NA	PeJP	NA	NA
+PJ085985	PCDHHHW 	C41H50N14O10S	930.3555	NA	PeJP	NA	NA
+PJ085986	GSSSSSQEY 	C36H54N10O19	930.3567	NA	PeJP	NA	NA
+PJ085987	SDEMMRY 	C37H58N10O14S2	930.3576	NA	PeJP	NA	NA
+PJ085988	GNNNNDHF 	C37H50N14O15	930.358	NA	PeJP	NA	NA
+PJ085989	GGGNNNDHF 	C37H50N14O15	930.3581	NA	PeJP	NA	NA
+PJ085990	GPDMYYW 	C45H54N8O12S	930.3582	NA	PeJP	NA	NA
+PJ085991	PCMMMRY 	C38H62N10O9S4	930.3584	NA	PeJP	NA	NA
+PJ085992	PCCCCKKF 	C38H62N10O9S4	930.3585	NA	PeJP	NA	NA
+PJ085993	CCEHHFR 	C38H54N14O10S2	930.3589	NA	PeJP	NA	NA
+PJ085994	MMMFWW 	C46H58N8O7S3	930.3591	NA	PeJP	NA	NA
+PJ085995	CNHWWW 	C46H50N12O8S	930.3596	NA	PeJP	NA	NA
+PJ085996	GSSSSSSTTM 	C33H58N10O19S	930.3601	NA	PeJP	NA	NA
+PJ085997	AQEEEYY 	C41H54N8O17	930.3607	NA	PeJP	NA	NA
+PJ085998	GSSSTCKMM 	C34H62N10O14S3	930.3609	NA	PeJP	NA	NA
+PJ085999	GSNDDMHR 	C34H54N14O15S	930.3614	NA	PeJP	NA	NA
+PJ086000	GGGGGGGGGGPNM 	C34H54N14O15S	930.3615	NA	PeJP	NA	NA
+PJ086001	ATEMMYW 	C42H58N8O12S2	930.3616	NA	PeJP	NA	NA
+PJ086002	TMMMMMR 	C35H66N10O9S5	930.3618	NA	PeJP	NA	NA
+PJ086003	SSNDHWW 	C42H50N12O13	930.3621	NA	PeJP	NA	NA
+PJ086004	CCCQRRY 	C35H58N14O10S3	930.3623	NA	PeJP	NA	NA
+PJ086005	ACMHHFW 	C43H54N12O8S2	930.3629	NA	PeJP	NA	NA
+PJ086006	GTTTEEMY 	C38H58N8O17S	930.3641	NA	PeJP	NA	NA
+PJ086007	VQEMMMY 	C39H62N8O12S3	930.365	NA	PeJP	NA	NA
+PJ086008	SNQEMHW 	C39H54N12O13S	930.3654	NA	PeJP	NA	NA
+PJ086009	GGGGTEMHW 	C39H54N12O13S	930.3655	NA	PeJP	NA	NA
+PJ086010	CNHHHHF 	C40H50N16O9S	930.3668	NA	PeJP	NA	NA
+PJ086011	GPDDDQER 	C35H54N12O18	930.3679	NA	PeJP	NA	NA
+PJ086012	GPNDDEER 	C35H54N12O18	930.368	NA	PeJP	NA	NA
+PJ086013	SSTLMMMM 	C36H66N8O12S4	930.3683	NA	PeJP	NA	NA
+PJ086014	GSSCQMRY 	C36H58N12O13S2	930.3688	NA	PeJP	NA	NA
+PJ086015	DDDHHHR 	C36H50N16O14	930.3693	NA	PeJP	NA	NA
+PJ086016	PPCNEWW 	C44H54N10O11S	930.3695	NA	PeJP	NA	NA
+PJ086017	SSSSSQYW 	C40H54N10O16	930.3719	NA	PeJP	NA	NA
+PJ086018	GGSSSSTYW 	C40H54N10O16	930.372	NA	PeJP	NA	NA
+PJ086019	SSCNNNHR 	C33H54N16O14S	930.3726	NA	PeJP	NA	NA
+PJ086020	GGSSCNNHR 	C33H54N16O14S	930.3727	NA	PeJP	NA	NA
+PJ086021	SCNKMYW 	C41H58N10O11S2	930.3728	NA	PeJP	NA	NA
+PJ086022	GGGGGAMMFF 	C41H58N10O11S2	930.3729	NA	PeJP	NA	NA
+PJ086023	GEEHHHW 	C41H50N14O12	930.3733	NA	PeJP	NA	NA
+PJ086024	DMFFWW 	C49H54N8O9S	930.3735	NA	PeJP	NA	NA
+PJ086025	SSSNDKMY 	C37H58N10O16S	930.3753	NA	PeJP	NA	NA
+PJ086026	GGGGPPTEEM 	C37H58N10O16S	930.3754	NA	PeJP	NA	NA
+MJ098015	Microsclerodermin E 	C45H54N8O14	930.375948	NA	MeJP	NA	NA
+PJ086027	AAEEYYW 	C45H54N8O14	930.376	NA	PeJP	NA	NA
+PJ086028	AEMMMRY 	C38H62N10O11S3	930.3762	NA	PeJP	NA	NA
+PJ086029	SCNEHRW 	C38H54N14O12S	930.3767	NA	PeJP	NA	NA
+PJ086030	GPMMFYW 	C46H58N8O9S2	930.3769	NA	PeJP	NA	NA
+PJ086031	SSSSSSSTTT 	C33H58N10O21	930.3778	NA	PeJP	NA	NA
+PJ086032	SSSSSSKMM 	C34H62N10O16S2	930.3787	NA	PeJP	NA	NA
+PJ086033	SSSNDEHR 	C34H54N14O17	930.3792	NA	PeJP	NA	NA
+PJ086034	TTTEMYW 	C42H58N8O14S	930.3793	NA	PeJP	NA	NA
+PJ086035	GAPTEMYY 	C42H58N8O14S	930.3794	NA	PeJP	NA	NA
+PJ086036	STCCKKMM 	C35H66N10O11S4	930.3796	NA	PeJP	NA	NA
+PJ086037	PYYYYY 	C50H54N6O12	930.38	NA	PeJP	NA	NA
+PJ086038	GGNEMMHR 	C35H58N14O12S2	930.3801	NA	PeJP	NA	NA
+PJ086039	GLMMMYW 	C43H62N8O9S3	930.3802	NA	PeJP	NA	NA
+PJ086040	GSQMHWW 	C43H54N12O10S	930.3807	NA	PeJP	NA	NA
+PJ086041	STTTTEEY 	C38H58N8O19	930.3818	NA	PeJP	NA	NA
+PJ086042	GPLEEEEE 	C38H58N8O19	930.3819	NA	PeJP	NA	NA
+PJ086043	TKEEMMY 	C39H62N8O14S2	930.3827	NA	PeJP	NA	NA
+PJ086044	PNDDERW 	C39H54N12O15	930.3832	NA	PeJP	NA	NA
+PJ086045	PKMMMMY 	C40H66N8O9S4	930.3836	NA	PeJP	NA	NA
+PJ086046	AQQMMHW 	C40H58N12O10S2	930.3841	NA	PeJP	NA	NA
+PJ086047	SNNHHHW 	C40H50N16O11	930.3845	NA	PeJP	NA	NA
+PJ086048	GGGGSHHHW 	C40H50N16O11	930.3846	NA	PeJP	NA	NA
+PJ086049	GPPCWWW 	C48H54N10O8S	930.3847	NA	PeJP	NA	NA
+PJ086050	SSSSNMRY 	C36H58N12O15S	930.3866	NA	PeJP	NA	NA
+PJ086051	GPQEEWW 	C44H54N10O13	930.3872	NA	PeJP	NA	NA
+PJ086052	CCQKMRY 	C37H62N12O10S3	930.3874	NA	PeJP	NA	NA
+PJ086053	GAPPPCCMR 	C37H62N12O10S3	930.3875	NA	PeJP	NA	NA
+PJ086054	NQQMHHH 	C37H54N16O11S	930.3879	NA	PeJP	NA	NA
+PJ086055	CCKHFFF 	C45H58N10O8S2	930.3881	NA	PeJP	NA	NA
+PJ086056	EHHHWW 	C45H50N14O9	930.3886	NA	PeJP	NA	NA
+PJ086057	GNNNNNER 	C33H54N16O16	930.3904	NA	PeJP	NA	NA
+PJ086058	GGGGGGGGGGGER 	C33H54N16O16	930.3905	NA	PeJP	NA	NA
+PJ086059	GSSTCKYW 	C41H58N10O13S	930.3906	NA	PeJP	NA	NA
+PJ086060	VDYYWW 	C49H54N8O11	930.3912	NA	PeJP	NA	NA
+PJ086061	CNDMHRR 	C34H58N16O11S2	930.3913	NA	PeJP	NA	NA
+PJ086062	PVMMMHW 	C42H62N10O8S3	930.3915	NA	PeJP	NA	NA
+PJ086063	GSCHRWW 	C42H54N14O9S	930.3919	NA	PeJP	NA	NA
+PJ086064	GSSSSSKEY 	C37H58N10O18	930.3931	NA	PeJP	NA	NA
+PJ086065	TTEMMRY 	C38H62N10O13S2	930.394	NA	PeJP	NA	NA
+PJ086066	GSSSDHRW 	C38H54N14O14	930.3944	NA	PeJP	NA	NA
+PJ086067	GGGGGGGAQQW 	C38H54N14O14	930.3945	NA	PeJP	NA	NA
+PJ086068	APTMYYW 	C46H58N8O11S	930.3946	NA	PeJP	NA	NA
+PJ086069	CLMMMFR 	C39H66N10O8S4	930.3948	NA	PeJP	NA	NA
+PJ086070	GNMMHRW 	C39H58N14O9S2	930.3953	NA	PeJP	NA	NA
+PJ086071	PLEEEEW 	C42H58N8O16	930.3971	NA	PeJP	NA	NA
+PJ086072	GSSQEMHR 	C35H58N14O14S	930.3978	NA	PeJP	NA	NA
+PJ086073	STLMMYW 	C43H62N8O11S2	930.398	NA	PeJP	NA	NA
+PJ086074	SSTQHWW 	C43H54N12O12	930.3984	NA	PeJP	NA	NA
+PJ086075	GPDDRWW 	C43H54N12O12	930.3985	NA	PeJP	NA	NA
+PJ086076	CCCKRRY 	C36H62N14O9S3	930.3987	NA	PeJP	NA	NA
+PJ086077	CNQHHHR 	C36H54N18O10S	930.3991	NA	PeJP	NA	NA
+PJ086078	GGCQHHHR 	C36H54N18O10S	930.3992	NA	PeJP	NA	NA
+PJ086079	SSTTLEMY 	C39H62N8O16S	930.4005	NA	PeJP	NA	NA
+PJ086080	VKEMMMY 	C40H66N8O11S3	930.4013	NA	PeJP	NA	NA
+PJ086081	LDKMMMY 	C40H66N8O11S3	930.4014	NA	PeJP	NA	NA
+PJ086082	GSPPCERW 	C40H58N12O12S	930.4018	NA	PeJP	NA	NA
+PJ086083	GGGGGGGPVMW 	C40H58N12O12S	930.4019	NA	PeJP	NA	NA
+PJ086084	PQEWWW 	C48H54N10O10	930.4025	NA	PeJP	NA	NA
+PJ086085	GSSSSSTRY 	C36H58N12O17	930.4043	NA	PeJP	NA	NA
+PJ086086	GGGGGGALQEE 	C36H58N12O17	930.4044	NA	PeJP	NA	NA
+PJ086087	GSSCKMRY 	C37H62N12O12S2	930.4052	NA	PeJP	NA	NA
+PJ086088	NNNNNRW 	C37H54N16O13	930.4057	NA	PeJP	NA	NA
+PJ086089	SPPQMWW 	C45H58N10O10S	930.4058	NA	PeJP	NA	NA
+PJ086090	GGPPTMWW 	C45H58N10O10S	930.4059	NA	PeJP	NA	NA
+PJ086091	ACCHRRW 	C38H58N16O8S2	930.4065	NA	PeJP	NA	NA
+PJ086092	SSSSSKYW 	C41H58N10O15	930.4083	NA	PeJP	NA	NA
+PJ086093	PNKEEEW 	C41H58N10O15	930.4084	NA	PeJP	NA	NA
+PJ086094	GSSCEHRR 	C34H58N16O13S	930.409	NA	PeJP	NA	NA
+PJ086095	GGGPCNDRR 	C34H58N16O13S	930.4091	NA	PeJP	NA	NA
+PJ086096	TCCKKYW 	C42H62N10O10S2	930.4092	NA	PeJP	NA	NA
+MJ098016	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-?-L-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac 	C44H66O21	930.409659	NA	MeJP	NA	NA
+MJ098017	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac 	C44H66O21	930.409659	NA	MeJP	NA	NA
+PJ086097	GNDHFRW 	C42H54N14O11	930.4097	NA	PeJP	NA	NA
+PJ086098	VMFYWW 	C50H58N8O8S	930.4099	NA	PeJP	NA	NA
+PJ086099	SSSTQKMY 	C38H62N10O15S	930.4117	NA	PeJP	NA	NA
+PJ086100	GTLEYYW 	C46H58N8O13	930.4124	NA	PeJP	NA	NA
+PJ086101	SLMMMRY 	C39H66N10O10S3	930.4126	NA	PeJP	NA	NA
+PJ086102	SSQMHRW 	C39H58N14O11S	930.413	NA	PeJP	NA	NA
+PJ086103	GGSTMHRW 	C39H58N14O11S	930.4131	NA	PeJP	NA	NA
+PJ086104	GLMMFFW 	C47H62N8O8S2	930.4132	NA	PeJP	NA	NA
+PJ086105	QQHFWW 	C47H54N12O9	930.4137	NA	PeJP	NA	NA
+PJ086106	SSSSSSPHR 	C35H58N14O16	930.4155	NA	PeJP	NA	NA
+PJ086107	GSPDDERR 	C35H58N14O16	930.4156	NA	PeJP	NA	NA
+PJ086108	PTKEMYY 	C43H62N8O13S	930.4157	NA	PeJP	NA	NA
+PJ086109	PPPVDEMF 	C43H62N8O13S	930.4158	NA	PeJP	NA	NA
+PJ086110	LFYYYY 	C51H58N6O11	930.4164	NA	PeJP	NA	NA
+PJ086111	GGGGPPCCKR 	C36H62N14O11S2	930.4165	NA	PeJP	NA	NA
+PJ086112	PKMMMFF 	C44H66N8O8S3	930.4166	NA	PeJP	NA	NA
+PJ086113	GSSNHHHR 	C36H54N18O12	930.4169	NA	PeJP	NA	NA
+PJ086114	SPPCRWW 	C44H58N12O9S	930.4171	NA	PeJP	NA	NA
+PJ086115	APWWWW 	C52H54N10O7	930.4177	NA	PeJP	NA	NA
+PJ086116	SPVLEEEE 	C39H62N8O18	930.4183	NA	PeJP	NA	NA
+PJ086117	SSSLLMMY 	C40H66N8O13S2	930.4191	NA	PeJP	NA	NA
+PJ086118	SPQEERW 	C40H58N12O14	930.4196	NA	PeJP	NA	NA
+PJ086119	LKMMMMF 	C41H70N8O8S4	930.42	NA	PeJP	NA	NA
+PJ086120	AQKMMHW 	C41H62N12O9S2	930.4204	NA	PeJP	NA	NA
+PJ086121	PPNMMRW 	C41H62N12O9S2	930.4205	NA	PeJP	NA	NA
+PJ086122	SSSTCKRY 	C37H62N12O14S	930.4229	NA	PeJP	NA	NA
+PJ086123	AAPQEEMR 	C37H62N12O14S	930.423	NA	PeJP	NA	NA
+PJ086124	GPKEEWW 	C45H58N10O12	930.4236	NA	PeJP	NA	NA
+PJ086125	CCKKMRY 	C38H66N12O9S3	930.4238	NA	PeJP	NA	NA
+PJ086126	SSCHRRW 	C38H58N16O10S	930.4243	NA	PeJP	NA	NA
+PJ086127	APHHHFW 	C46H54N14O8	930.4249	NA	PeJP	NA	NA
+PJ086128	SSSSDHRR 	C34H58N16O15	930.4268	NA	PeJP	NA	NA
+PJ086129	GSPPKEMW 	C42H62N10O12S	930.427	NA	PeJP	NA	NA
+PJ086130	TLYYWW 	C50H58N8O10	930.4276	NA	PeJP	NA	NA
+PJ086131	SNMMHRR 	C35H62N16O10S2	930.4277	NA	PeJP	NA	NA
+PJ086132	ALMHHHW 	C43H58N14O8S	930.4283	NA	PeJP	NA	NA
+PJ086133	GSSSTTTKY 	C38H62N10O17	930.4295	NA	PeJP	NA	NA
+PJ086134	GSSKKMMY 	C39H66N10O12S2	930.4303	NA	PeJP	NA	NA
+PJ086135	GTLLEMMH 	C39H66N10O12S2	930.4304	NA	PeJP	NA	NA
+PJ086136	SPDDRRW 	C39H58N14O13	930.4308	NA	PeJP	NA	NA
+PJ086137	GGGGGGGGAAKW 	C39H58N14O13	930.4309	NA	PeJP	NA	NA
+PJ086138	GVLMYYW 	C47H62N8O10S	930.431	NA	PeJP	NA	NA
+PJ086139	ACKMHRW 	C40H62N14O8S2	930.4317	NA	PeJP	NA	NA
+PJ086140	VQHHHHH 	C40H54N18O9	930.4322	NA	PeJP	NA	NA
+PJ086141	SLKEEYY 	C43H62N8O15	930.4335	NA	PeJP	NA	NA
+PJ086142	PNEEMRR 	C36H62N14O13S	930.4342	NA	PeJP	NA	NA
+PJ086143	PVKMMYY 	C44H66N8O10S2	930.4344	NA	PeJP	NA	NA
+PJ086144	GPTERWW 	C44H58N12O11	930.4348	NA	PeJP	NA	NA
+PJ086145	GGGGSPKWW 	C44H58N12O11	930.4349	NA	PeJP	NA	NA
+PJ086146	CNKHHHR 	C37H58N18O9S	930.4355	NA	PeJP	NA	NA
+PJ086147	TTTTTLMY 	C40H66N8O15S	930.4369	NA	PeJP	NA	NA
+PJ086148	GSNNNNRR 	C33H58N18O14	930.438	NA	PeJP	NA	NA
+PJ086149	GGGGGGGSNRR 	C33H58N18O14	930.4381	NA	PeJP	NA	NA
+PJ086150	PVNEMRW 	C41H62N12O11S	930.4382	NA	PeJP	NA	NA
+PJ086151	PKEWWW 	C49H58N10O9	930.4389	NA	PeJP	NA	NA
+PJ086152	GSPKEEER 	C37H62N12O16	930.4407	NA	PeJP	NA	NA
+PJ086153	GPPDKMMR 	C38H66N12O11S2	930.4416	NA	PeJP	NA	NA
+PJ086154	ANDHRRY 	C38H58N16O12	930.442	NA	PeJP	NA	NA
+PJ086155	GNNERRW 	C38H58N16O12	930.4421	NA	PeJP	NA	NA
+PJ086156	SPPKMWW 	C46H62N10O9S	930.4422	NA	PeJP	NA	NA
+PJ086157	VFFFWW 	C54H58N8O7	930.4429	NA	PeJP	NA	NA
+PJ086158	AHHHHHR 	C39H54N20O8	930.4434	NA	PeJP	NA	NA
+PJ086159	PDKKEEW 	C42H62N10O14	930.4447	NA	PeJP	NA	NA
+PJ086160	GGGALLEEW 	C42H62N10O14	930.4448	NA	PeJP	NA	NA
+PJ086161	PCDERRR 	C35H62N16O12S	930.4454	NA	PeJP	NA	NA
+PJ086162	TLLMMHW 	C43H66N10O9S2	930.4456	NA	PeJP	NA	NA
+MJ098018	2,3-Dihydroxyspirost-9(11)-en-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H70O20	930.446044	NA	MeJP	NA	NA
+PJ086163	QQQRWW 	C43H58N14O10	930.4461	NA	PeJP	NA	NA
+PJ086164	SSSTKKMY 	C39H66N10O14S	930.4481	NA	PeJP	NA	NA
+PJ086165	SSLLYYW 	C47H62N8O12	930.4487	NA	PeJP	NA	NA
+PJ086166	GGPVLYYY 	C47H62N8O12	930.4488	NA	PeJP	NA	NA
+PJ086167	CKKKMMY 	C40H70N10O9S3	930.449	NA	PeJP	NA	NA
+PJ086168	SSKMHRW 	C40H62N14O10S	930.4494	NA	PeJP	NA	NA
+PJ086169	GPEMRRW 	C40H62N14O10S	930.4495	NA	PeJP	NA	NA
+PJ086170	PTRWWW 	C48H58N12O8	930.4501	NA	PeJP	NA	NA
+PJ086171	VNEEERR 	C36H62N14O15	930.4519	NA	PeJP	NA	NA
+PJ086172	GGVEEERR 	C36H62N14O15	930.452	NA	PeJP	NA	NA
+PJ086173	VVKEMYY 	C44H66N8O12S	930.4521	NA	PeJP	NA	NA
+PJ086174	GSPPMMRR 	C37H66N14O10S2	930.4528	NA	PeJP	NA	NA
+PJ086175	PNDHHRR 	C37H58N18O11	930.4533	NA	PeJP	NA	NA
+PJ086176	GPVMRWW 	C45H62N12O8S	930.4535	NA	PeJP	NA	NA
+PJ086177	GLLLEEEE 	C40H66N8O17	930.4546	NA	PeJP	NA	NA
+PJ086178	PPTLLEMM 	C41H70N8O12S2	930.4555	NA	PeJP	NA	NA
+PJ086179	SPKEERW 	C41H62N12O13	930.456	NA	PeJP	NA	NA
+PJ086180	AKKMMHW 	C42H66N12O8S2	930.4568	NA	PeJP	NA	NA
+PJ086181	NNRRWW 	C42H58N16O9	930.4573	NA	PeJP	NA	NA
+PJ086182	SSPPKEMR 	C38H66N12O13S	930.4593	NA	PeJP	NA	NA
+PJ086183	AAPKEEMR 	C38H66N12O13S	930.4594	NA	PeJP	NA	NA
+PJ086184	SPVKEWW 	C46H62N10O11	930.46	NA	PeJP	NA	NA
+PJ086185	LLMMMHR 	C39H70N12O8S3	930.4602	NA	PeJP	NA	NA
+PJ086186	GQMHFRR 	C39H62N16O9S	930.4607	NA	PeJP	NA	NA
+PJ086187	GEEERRR 	C35H62N16O14	930.4632	NA	PeJP	NA	NA
+PJ086188	SVLMRYY 	C43H66N10O11S	930.4633	NA	PeJP	NA	NA
+PJ086189	PLQKEMW 	C43H66N10O11S	930.4634	NA	PeJP	NA	NA
+PJ086190	GVLFFYW 	C51H62N8O9	930.464	NA	PeJP	NA	NA
+PJ086191	TCKMHRR 	C36H66N16O9S2	930.4641	NA	PeJP	NA	NA
+PJ086192	PMRRWW 	C44H62N14O7S	930.4647	NA	PeJP	NA	NA
+PJ086193	APTKKEEE 	C39H66N10O16	930.4659	NA	PeJP	NA	NA
+PJ086194	SSLLLMMH 	C40H70N10O11S2	930.4667	NA	PeJP	NA	NA
+PJ086195	GGGGPVLLMM 	C40H70N10O11S2	930.4668	NA	PeJP	NA	NA
+PJ086196	GVEERRW 	C40H62N14O12	930.4672	NA	PeJP	NA	NA
+PJ086197	PVKMFFY 	C48H66N8O9S	930.4674	NA	PeJP	NA	NA
+PJ086198	VKHHHHH 	C41H58N18O8	930.4685	NA	PeJP	NA	NA
+PJ086199	LLLEEEW 	C44H66N8O14	930.4699	NA	PeJP	NA	NA
+PJ086200	PDKEMRR 	C37H66N14O12S	930.4706	NA	PeJP	NA	NA
+PJ086201	VLKMMFY 	C45H70N8O9S2	930.4708	NA	PeJP	NA	NA
+PJ086202	AALERWW 	C45H62N12O10	930.4712	NA	PeJP	NA	NA
+PJ086203	GCHFRRR 	C38H62N18O8S	930.4719	NA	PeJP	NA	NA
+PJ086204	SPLLLEEM 	C41H70N8O14S	930.4733	NA	PeJP	NA	NA
+PJ086205	PPVLLMMM 	C42H74N8O9S3	930.4741	NA	PeJP	NA	NA
+PJ086206	SNNERRR 	C34H62N18O13	930.4744	NA	PeJP	NA	NA
+PJ086207	PVDKMRW 	C42H66N12O10S	930.4746	NA	PeJP	NA	NA
+PJ086208	LLQWWW 	C50H62N10O8	930.4752	NA	PeJP	NA	NA
+PJ086209	GALLWWW 	C50H62N10O8	930.4753	NA	PeJP	NA	NA
+MJ098019	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dicinnamoyl, 3-O-[?-L-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C53H70O14	930.476556	NA	MeJP	NA	NA
+MJ098020	Pregn-5-ene-3,8,12,14,17,20-hexol, 12,20-Dicinnamoyl, 3-O-[?-L-oleandropyranosyl-(1?4)-L-oleandropyranoside] 	C53H70O14	930.476556	NA	MeJP	NA	NA
+PJ086210	LQKEEER 	C38H66N12O15	930.4771	NA	PeJP	NA	NA
+PJ086211	APPTKMMR 	C39H70N12O10S2	930.478	NA	PeJP	NA	NA
+PJ086212	EERRRW 	C39H62N16O11	930.4784	NA	PeJP	NA	NA
+PJ086213	GGGDKRRW 	C39H62N16O11	930.4785	NA	PeJP	NA	NA
+PJ086214	APLKMWW 	C47H66N10O8S	930.4786	NA	PeJP	NA	NA
+PJ086215	VLQKEEW 	C43H66N10O13	930.4811	NA	PeJP	NA	NA
+PJ086216	SPEMRRR 	C36H66N16O11S	930.4818	NA	PeJP	NA	NA
+PJ086217	CKKKMFF 	C44H70N10O8S2	930.482	NA	PeJP	NA	NA
+MJ098021	3,4,22-Trihydroxy-29-norlanosta-8,24-dien-30-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?2)-?-D-galactopyranoside] 	C46H74O19	930.48243	NA	MeJP	NA	NA
+MJ098022	Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C46H74O19	930.48243	NA	MeJP	NA	NA
+MJ098023	Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C46H74O19	930.48243	NA	MeJP	NA	NA
+PJ086218	VERRWW 	C44H62N14O9	930.4825	NA	PeJP	NA	NA
+PJ086219	GPLKKEEM 	C40H70N10O13S	930.4845	NA	PeJP	NA	NA
+PJ086220	PVVKYYY 	C48H66N8O11	930.4851	NA	PeJP	NA	NA
+PJ086221	PPPVVEFF 	C48H66N8O11	930.4852	NA	PeJP	NA	NA
+PJ086222	SPVMRRW 	C41H66N14O9S	930.4858	NA	PeJP	NA	NA
+PJ086223	VVRWWW 	C49H62N12O7	930.4865	NA	PeJP	NA	NA
+PJ086224	VDKEERR 	C37H66N14O14	930.4883	NA	PeJP	NA	NA
+PJ086225	GGAADKKER 	C37H66N14O14	930.4884	NA	PeJP	NA	NA
+PJ086226	TLLKMYY 	C45H70N8O11S	930.4885	NA	PeJP	NA	NA
+PJ086227	PLQMMRR 	C38H70N14O9S2	930.4892	NA	PeJP	NA	NA
+PJ086228	GSNRRRW 	C38H62N18O10	930.4897	NA	PeJP	NA	NA
+PJ086229	SVLLLEEE 	C41H70N8O16	930.491	NA	PeJP	NA	NA
+PJ086230	PVVLLEMM 	C42H74N8O11S2	930.4919	NA	PeJP	NA	NA
+PJ086231	SLLQERW 	C42H66N12O12	930.4923	NA	PeJP	NA	NA
+MJ098024	Leucopyrokinin 	C42H66N12O12	930.492315	NA	MeJP	NA	NA
+PJ086232	ALKEERW 	C42H66N12O12	930.4924	NA	PeJP	NA	NA
+PJ086233	GQQMRRR 	C35H66N18O10S	930.493	NA	PeJP	NA	NA
+PJ086234	GGAQMRRR 	C35H66N18O10S	930.4931	NA	PeJP	NA	NA
+PJ086235	APKHHRW 	C43H62N16O8	930.4937	NA	PeJP	NA	NA
+PJ086236	GPTLKEMR 	C39H70N12O12S	930.4957	NA	PeJP	NA	NA
+PJ086237	GGGGGAALLKM 	C39H70N12O12S	930.4958	NA	PeJP	NA	NA
+PJ086238	GLLKEWW 	C47H66N10O10	930.4964	NA	PeJP	NA	NA
+PJ086239	PPCFRRR 	C40H66N16O8S	930.4971	NA	PeJP	NA	NA
+PJ086240	SVEERRR 	C36H66N16O13	930.4996	NA	PeJP	NA	NA
+PJ086241	LLLQQMW 	C44H70N10O10S	930.4997	NA	PeJP	NA	NA
+PJ086242	PLKKEMW 	C44H70N10O10S	930.4998	NA	PeJP	NA	NA
+PJ086243	PCLMRRR 	C37H70N16O8S2	930.5004	NA	PeJP	NA	NA
+PJ086244	SPTLKKEE 	C40H70N10O15	930.5022	NA	PeJP	NA	NA
+PJ086245	GVLKKEEE 	C40H70N10O15	930.5023	NA	PeJP	NA	NA
+PJ086246	SPPLKKMM 	C41H74N10O10S2	930.5031	NA	PeJP	NA	NA
+PJ086247	ATLERRW 	C41H66N14O11	930.5036	NA	PeJP	NA	NA
+PJ086248	VLKMFFF 	C49H70N8O8S	930.5038	NA	PeJP	NA	NA
+PJ086249	GCQRRRR 	C34H66N20O9S	930.5043	NA	PeJP	NA	NA
+MJ098025	Antibiotic JCM 4274 	C45H70N8O13	930.506234	NA	MeJP	NA	NA
+PJ086250	SPPLLLEY 	C45H70N8O13	930.5063	NA	PeJP	NA	NA
+PJ086251	VLQEMRR 	C38H70N14O11S	930.507	NA	PeJP	NA	NA
+HMDB01036	Angiotensin III	C46H66N12O9	930.507568	NA	HMDB2010	NA	NA
+HMDB01036	Angiotensin III	C46H66N12O9	930.50757	Bile-acid glycine conjugates  ;SYN:Glycolithocholate 3-sulfate; Glycolithocholic acid 3-sulfate; Glycolithocholic acid sulfate; Sulfoglycolithocholate; Sulfoglycolithocholic acid;glycolithocholate sulfate;glycine amidated;LCA-Sul;GLCA-SulH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ086252	GTLLRWW 	C46H66N12O9	930.5076	NA	PeJP	NA	NA
+PJ086253	ALLLLEEM 	C42H74N8O13S	930.5097	NA	PeJP	NA	NA
+MJ098026	Microginin 51A; N3-Me 	C50H70N6O11	930.510257	NA	MeJP	NA	NA
+PJ086254	SNDKRRR 	C35H66N18O12	930.5108	NA	PeJP	NA	NA
+PJ086255	PTLKMRW 	C43H70N12O9S	930.511	NA	PeJP	NA	NA
+PJ086256	LLKWWW 	C51H66N10O7	930.5116	NA	PeJP	NA	NA
+PJ086257	LKKEEER 	C39H70N12O14	930.5135	NA	PeJP	NA	NA
+PJ086258	GPVLKMMR 	C40H74N12O9S2	930.5144	NA	PeJP	NA	NA
+PJ086259	GTQKRRW 	C40H66N16O10	930.5148	NA	PeJP	NA	NA
+PJ086260	VLKKEEW 	C44H70N10O12	930.5175	NA	PeJP	NA	NA
+PJ086261	ALEMRRR 	C37H70N16O10S	930.5182	NA	PeJP	NA	NA
+C08925	Astrasieversianin XVI	C47H78O18	930.5188	NA	KEGG	NA	NA
+C08949	Gypenoside XXV	C47H78O18	930.5188	NA	KEGG	NA	NA
+PJ086262	QKKRWW 	C45H66N14O8	930.5188	NA	PeJP	NA	NA
+MJ098027	12-Oleanene-3,16,21,28-tetrol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098028	12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098029	13,28-Epoxy-3,16,23-oleananetriol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-L-arabinopyranoside] 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098030	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 25-O-?-D-glucopyranoside 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098031	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098032	3,11,16-Trihydroxycycloartan-24-one, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside], 16-O-?-L-arabinopyranoside 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098033	3,20,25,30-Tetrahydroxydammar-23-en-16-one, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 30-O-?-D-glucopyranoside 	C47H78O18	930.518815	NA	MeJP	NA	NA
+MJ098034	3,8,14,15,16-Pentahydroxypregnan-20-one, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C47H78O18	930.518815	NA	MeJP	NA	NA
+PJ086263	GAKKRWW 	C45H66N14O8	930.5189	NA	PeJP	NA	NA
+PJ086264	SPVLKKEM 	C41H74N10O12S	930.5209	NA	PeJP	NA	NA
+MJ098035	Dichotomin I 	C49H70N8O10	930.52149	NA	MeJP	NA	NA
+PJ086265	VVLKFYY 	C49H70N8O10	930.5215	NA	PeJP	NA	NA
+PJ086266	SSNRRRR 	C34H66N20O11	930.522	NA	PeJP	NA	NA
+PJ086267	GLLMRRW 	C42H70N14O8S	930.5222	NA	PeJP	NA	NA
+PJ086268	TLKEERR 	C38H70N14O13	930.5247	NA	PeJP	NA	NA
+PJ086269	PPVVLLMY 	C46H74N8O10S	930.5249	NA	PeJP	NA	NA
+PJ086270	PLKMMRR 	C39H74N14O8S2	930.5256	NA	PeJP	NA	NA
+PJ086271	PTKHHRR 	C39H66N18O9	930.5261	NA	PeJP	NA	NA
+PJ086272	TTLLLLEE 	C42H74N8O15	930.5274	NA	PeJP	NA	NA
+PJ086273	PTLLLLMM 	C43H78N8O10S2	930.5283	NA	PeJP	NA	NA
+PJ086274	SLLKERW 	C43H70N12O11	930.5287	NA	PeJP	NA	NA
+PJ086275	GGVKKKEW 	C43H70N12O11	930.5288	NA	PeJP	NA	NA
+PJ086276	GQKMRRR 	C36H70N18O9S	930.5294	NA	PeJP	NA	NA
+PJ086277	AALLKEMR 	C40H74N12O11S	930.5321	NA	PeJP	NA	NA
+PJ086278	SVLLKWW 	C48H70N10O9	930.5328	NA	PeJP	NA	NA
+PJ086279	AATTQKRR 	C37H70N16O12	930.5359	NA	PeJP	NA	NA
+PJ086280	TTLERRR 	C37H70N16O12	930.536	NA	PeJP	NA	NA
+PJ086281	LLLQKMW 	C45H74N10O9S	930.5361	NA	PeJP	NA	NA
+PJ086282	GLHHRRR 	C38H66N20O8	930.5373	NA	PeJP	NA	NA
+PJ086283	ATLLKKEE 	C41H74N10O14	930.5386	NA	PeJP	NA	NA
+PJ086284	APLLKKMM 	C42H78N10O9S2	930.5395	NA	PeJP	NA	NA
+PJ086285	STLLRRW 	C42H70N14O10	930.54	NA	PeJP	NA	NA
+PJ086286	GCKRRRR 	C35H70N20O8S	930.5407	NA	PeJP	NA	NA
+PJ086287	APLLLLEY 	C46H74N8O12	930.5427	NA	PeJP	NA	NA
+PJ086288	LQQKKMR 	C39H74N14O10S	930.5433	NA	PeJP	NA	NA
+PJ086289	VLKEMRR 	C39H74N14O10S	930.5434	NA	PeJP	NA	NA
+PJ086290	GVKKKWW 	C47H70N12O8	930.544	NA	PeJP	NA	NA
+PJ086291	SLLLLLEM 	C43H78N8O12S	930.546	NA	PeJP	NA	NA
+PJ086292	STQKRRR 	C36H70N18O11	930.5472	NA	PeJP	NA	NA
+PJ086293	VVLKMRW 	C44H74N12O8S	930.5474	NA	PeJP	NA	NA
+PJ086294	ATTLLKER 	C40H74N12O13	930.5499	NA	PeJP	NA	NA
+PJ086295	GTKKRRW 	C41H70N16O9	930.5512	NA	PeJP	NA	NA
+MJ098036	Antibiotic LI-F; Antibiotic LI-F07A 	C45H74N10O11	930.553853	NA	MeJP	NA	NA
+PJ086296	GTTLLLKW 	C45H74N10O11	930.5539	NA	PeJP	NA	NA
+PJ086297	SLLMRRR 	C38H74N16O9S	930.5546	NA	PeJP	NA	NA
+PJ086298	KKKRWW 	C46H70N14O7	930.5552	NA	PeJP	NA	NA
+MJ098037	20,24-Epoxydammarane-3,12,25-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098038	20,24-Epoxydammarane-3,25,26-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098039	Antibiotic X 14868A; O29-Me 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098040	Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098041	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098042	Dammar-24-ene-3,12,20-triol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098043	Dammar-24-ene-3,20-diol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098044	Dammar-24-ene-3,6,12,20-tetrol, Glycoside (2) 	C48H82O17	930.555201	NA	MeJP	NA	NA
+MJ098045	Septamycin; 27R-Hydroxy 	C48H82O17	930.555201	NA	MeJP	NA	NA
+PJ086299	GLLLKKEM 	C42H78N10O11S	930.5573	NA	PeJP	NA	NA
+PJ086300	PPVVLLFF 	C50H74N8O9	930.5579	NA	PeJP	NA	NA
+PJ086301	SSSLLLRR 	C39H74N14O12	930.5611	NA	PeJP	NA	NA
+PJ086302	PVVLLLMF 	C47H78N8O9S	930.5613	NA	PeJP	NA	NA
+PJ086303	VVKHHRR 	C40H70N18O8	930.5624	NA	PeJP	NA	NA
+PJ086304	PPLHRRR 	C40H70N18O8	930.5625	NA	PeJP	NA	NA
+PJ086305	VVLLLLMM 	C44H82N8O9S2	930.5647	NA	PeJP	NA	NA
+PJ086306	VDKKKKW 	C44H74N12O10	930.5651	NA	PeJP	NA	NA
+PJ086307	GKKMRRR 	C37H74N18O8S	930.5658	NA	PeJP	NA	NA
+PJ086308	GTLLLKMR 	C41H78N12O10S	930.5685	NA	PeJP	NA	NA
+PJ086309	PLLKKFW 	C49H74N10O8	930.5692	NA	PeJP	NA	NA
+PJ086310	SKKKERR 	C38H74N16O11	930.5723	NA	PeJP	NA	NA
+PJ086311	LLLKKMW 	C46H78N10O8S	930.5725	NA	PeJP	NA	NA
+PJ086312	STLLLKKE 	C42H78N10O13	930.575	NA	PeJP	NA	NA
+PJ086313	SVKKKRW 	C43H74N14O9	930.5764	NA	PeJP	NA	NA
+PJ086314	SPLLLLLY 	C47H78N8O11	930.579	NA	PeJP	NA	NA
+PJ086315	ALLLLLEF 	C47H78N8O11	930.5791	NA	PeJP	NA	NA
+PJ086316	LQKKKMR 	C40H78N14O9S	930.5797	NA	PeJP	NA	NA
+PJ086317	STKKRRR 	C37H74N18O10	930.5836	NA	PeJP	NA	NA
+PJ086318	STTLLLKR 	C41H78N12O12	930.5862	NA	PeJP	NA	NA
+PJ086319	STTIILKR 	C41H78N12O12	930.5863	NA	PeJP	NA	NA
+PJ086320	ALLFRRR 	C42H74N16O8	930.5876	NA	PeJP	NA	NA
+PJ086321	GPLLLKKY 	C46H78N10O10	930.5903	NA	PeJP	NA	NA
+PJ086322	CLKKKRR 	C39H78N16O8S	930.591	NA	PeJP	NA	NA
+PJ086323	SVLLLKKM 	C43H82N10O10S	930.5937	NA	PeJP	NA	NA
+PJ086324	GTTLKKKR 	C40H78N14O11	930.5975	NA	PeJP	NA	NA
+MJ098046	7,8-Dihydroscutionin àB 	C60H82O8	930.600969	NA	MeJP	NA	NA
+MJ098047	Cangorosin A 	C60H82O8	930.600969	NA	MeJP	NA	NA
+MJ098048	Isocangorosin A 	C60H82O8	930.600969	NA	MeJP	NA	NA
+PJ086325	TLKKKKW 	C45H78N12O9	930.6015	NA	PeJP	NA	NA
+PJ086326	GVLKKKKM 	C42H82N12O9S	930.6049	NA	PeJP	NA	NA
+PJ086327	VLLKFRR 	C44H78N14O8	930.6127	NA	PeJP	NA	NA
+PJ086328	ALLLLLLY 	C48H82N8O10	930.6154	NA	PeJP	NA	NA
+PJ086329	LKKKKMR 	C41H82N14O8S	930.6161	NA	PeJP	NA	NA
+PJ086330	SSLLKKKK 	C42H82N12O11	930.6226	NA	PeJP	NA	NA
+PJ086331	GLLLLKKF 	C47H82N10O9	930.6267	NA	PeJP	NA	NA
+PJ086332	GSKKKKKK 	C41H82N14O10	930.6339	NA	PeJP	NA	NA
+MJ098049	Huratoxin; 5-Deoxy, 6,7-deepoxy, 6,7-didehydro, 20-hexacosanoyl 	C60H98O7	930.731255	NA	MeJP	NA	NA
+HMDB05413	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H102O6	930.767639	NA	HMDB2010	NA	NA
+HMDB10465	TG(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C61H102O6	930.767639	NA	HMDB2010	NA	NA
+HMDB10478	TG(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C61H102O6	930.767639	NA	HMDB2010	NA	NA
+HMDB10487	TG(18:2(9Z,12Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C61H102O6	930.767639	NA	HMDB2010	NA	NA
+HMDB10494	TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso3]	C61H102O6	930.767639	NA	HMDB2010	NA	NA
+HMDB05413	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H102O6	930.76764	http://www.hmdb.ca/metabolites/HMDB05413	HMDB	NA	NA
+HMDB05413	TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C61H102O6	930.76764	HMDB05413	PFEM_hmdb_metabocards_official	NA	NA
+2684	NA	GGTYSCHFGALTWVCKPQGG	930.946	MH2+	Inhouse_peptide	NA	peptide
+3236	bombolitin II from venom of bumble bee (Megabombus	SKITDILAKLGKVLAHVG	931.05895	MH2+	Inhouse_peptide	NA	peptide
+PJ086333	GTCCCCCCH 	C30H49N11O11S6	931.1938	NA	PeJP	NA	NA
+C07160	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetyl-CoA	C31H48N7O18P3S	931.1989	NA	KEGG	NA	NA
+C07161	Transferred to D00386	C31H48N7O18P3S	931.1989	NA	KEGG	NA	NA
+C07162	Transferred to D00387	C31H48N7O18P3S	931.1989	NA	KEGG	NA	NA
+C11935	4-Isopropenyl-2-oxy-cyclohexanecarboxyl-CoA	C31H48N7O18P3S	931.1989	NA	KEGG	NA	NA
+MetaCyc04327	2-oxo-&Delta;3-4,5,5-trimethylcyclopentenylacetyl-CoA []	C31H48N7O18P3S1	931.198938	NA	metacyc	NA	NA
+PJ086334	GSCCCDDDD 	C30H45N9O19S3	931.1994	NA	PeJP	NA	NA
+PJ086335	GPCCCCCDE 	C31H49N9O14S5	931.2003	NA	PeJP	NA	NA
+MJ098050	Simocyclinone D4; 8'-Chloro 	C46H42ClNO18	931.209041	NA	MeJP	NA	NA
+PJ086336	SSSCCCCCH 	C30H49N11O13S5	931.2115	NA	PeJP	NA	NA
+PJ086337	PCCCCCDW 	C35H49N9O11S5	931.2156	NA	PeJP	NA	NA
+PJ086338	CCCNDDEM 	C31H49N9O16S4	931.2181	NA	PeJP	NA	NA
+PJ086339	PPTCCCCCC 	C32H53N9O11S6	931.2189	NA	PeJP	NA	NA
+PJ086340	CCCCCNHF 	C34H49N11O10S5	931.2268	NA	PeJP	NA	NA
+PJ086341	CCCCDDDR 	C30H49N11O15S4	931.2293	NA	PeJP	NA	NA
+PJ086342	GCCCDDMW 	C35H49N9O13S4	931.2333	NA	PeJP	NA	NA
+PJ086343	GSSCCDDDM 	C31H49N9O18S3	931.2358	NA	PeJP	NA	NA
+PJ086344	GSPCCCCEM 	C32H53N9O13S5	931.2367	NA	PeJP	NA	NA
+MJ098051	C-Curarine; 18-Hydroxy 	C40H44N4O22(+)	931.236894	NA	MeJP	NA	NA
+MJ098052	Caracurine II; Nb,Nb'-Di-Me 	C40H44N4O22(+)	931.236894	NA	MeJP	NA	NA
+MJ098053	Pradimicin T1 	C42H45NO23	931.238236	NA	MeJP	NA	NA
+PJ086345	SCCCCNNW 	C34H49N11O12S4	931.2445	NA	PeJP	NA	NA
+PJ086346	GGGGSCCCCW 	C34H49N11O12S4	931.2446	NA	PeJP	NA	NA
+PJ086347	SSSCCCNND 	C30H49N11O17S3	931.247	NA	PeJP	NA	NA
+PJ086348	GGGGSSSCCCD 	C30H49N11O17S3	931.2471	NA	PeJP	NA	NA
+PJ086349	CCCNNNMM 	C31H53N11O12S5	931.2479	NA	PeJP	NA	NA
+PJ086350	CCCCEWW 	C39H49N9O10S4	931.2486	NA	PeJP	NA	NA
+PJ086351	SSCCCDEW 	C35H49N9O15S3	931.2511	NA	PeJP	NA	NA
+PJ086352	SPCCCCMW 	C36H53N9O10S5	931.2519	NA	PeJP	NA	NA
+PJ086353	SSSSCCDDE 	C31H49N9O20S2	931.2536	NA	PeJP	NA	NA
+PJ086354	SCCNDEMM 	C32H53N9O15S4	931.2544	NA	PeJP	NA	NA
+PJ086355	CCCDYYY 	C40H49N7O13S3	931.2551	NA	PeJP	NA	NA
+PJ086356	PCCCNMMM 	C33H57N9O10S6	931.2553	NA	PeJP	NA	NA
+PJ086357	CCCCCNQR 	C30H53N13O11S5	931.2591	NA	PeJP	NA	NA
+PJ086358	GGCCCCCQR 	C30H53N13O11S5	931.2592	NA	PeJP	NA	NA
+PJ086359	CCCNNNDF 	C34H49N11O14S3	931.2623	NA	PeJP	NA	NA
+PJ086360	SCCCDDMR 	C31H53N11O14S4	931.2657	NA	PeJP	NA	NA
+PJ086361	GCNDDDMY 	C35H49N9O17S2	931.2688	NA	PeJP	NA	NA
+PJ086362	GSCCDMMW 	C36H53N9O12S4	931.2697	NA	PeJP	NA	NA
+PJ086363	GSSSCDDMM 	C32H53N9O17S3	931.2722	NA	PeJP	NA	NA
+PJ086364	GCNDMMMM 	C33H57N9O12S5	931.2731	NA	PeJP	NA	NA
+PJ086365	SCCCNEHH 	C33H49N13O13S3	931.2735	NA	PeJP	NA	NA
+PJ086366	CCCMFYY 	C41H53N7O10S4	931.2737	NA	PeJP	NA	NA
+PJ086367	GSSCCCCNR 	C30H53N13O13S4	931.2769	NA	PeJP	NA	NA
+PJ086368	SNDDDDDH 	C33H45N11O21	931.2792	NA	PeJP	NA	NA
+PJ086369	SCCNNNDY 	C34H49N11O16S2	931.28	NA	PeJP	NA	NA
+PJ086370	GGSCCNNDY 	C34H49N11O16S2	931.2801	NA	PeJP	NA	NA
+PJ086371	SSSSCCNNM 	C31H53N11O16S3	931.2834	NA	PeJP	NA	NA
+PJ086372	CCNDEYW 	C39H49N9O14S2	931.2841	NA	PeJP	NA	NA
+PJ086373	GCCCEMMR 	C32H57N11O11S5	931.2843	NA	PeJP	NA	NA
+PJ086374	TCCCMWW 	C40H53N9O9S4	931.2849	NA	PeJP	NA	NA
+PJ086375	APCCCCFW 	C40H53N9O9S4	931.285	NA	PeJP	NA	NA
+PJ086376	SSCNDDEY 	C35H49N9O19S	931.2866	NA	PeJP	NA	NA
+PJ086377	SSSCCEMW 	C36H53N9O14S3	931.2874	NA	PeJP	NA	NA
+PJ086378	GGSPCCDMY 	C36H53N9O14S3	931.2875	NA	PeJP	NA	NA
+PJ086379	CCQMMMW 	C37H57N9O9S5	931.2883	NA	PeJP	NA	NA
+PJ086380	GSCCCHHW 	C37H49N13O10S3	931.2888	NA	PeJP	NA	NA
+PJ086381	SSSSSCDEM 	C32H53N9O19S2	931.2899	NA	PeJP	NA	NA
+PJ086382	SSCNEMMM 	C33H57N9O14S4	931.2908	NA	PeJP	NA	NA
+PJ086383	GSSSCCDHH 	C33H49N13O15S2	931.2913	NA	PeJP	NA	NA
+PJ086384	SCCMYYY 	C41H53N7O12S3	931.2915	NA	PeJP	NA	NA
+PJ086385	GCCNMMHH 	C34H53N13O10S4	931.2922	NA	PeJP	NA	NA
+PJ086386	DDEEMMY 	C37H53N7O17S2	931.294	NA	PeJP	NA	NA
+PJ086387	GPCCDDHW 	C38H49N11O13S2	931.2953	NA	PeJP	NA	NA
+PJ086388	CCCCCNKR 	C31H57N13O10S5	931.2955	NA	PeJP	NA	NA
+PJ086389	GNDDDEMH 	C34H49N11O18S	931.2978	NA	PeJP	NA	NA
+PJ086390	EEMMMMM 	C35H61N7O12S5	931.2982	NA	PeJP	NA	NA
+PJ086391	GCCNNQMY 	C35H53N11O13S3	931.2987	NA	PeJP	NA	NA
+PJ086392	GCCDYWW 	C43H49N9O11S2	931.2993	NA	PeJP	NA	NA
+PJ086393	CCCMMRW 	C36H57N11O8S5	931.2996	NA	PeJP	NA	NA
+PJ086394	GSSSSSSCCQ 	C31H53N11O18S2	931.3012	NA	PeJP	NA	NA
+PJ086395	GSSCDDYW 	C39H49N9O16S	931.3018	NA	PeJP	NA	NA
+PJ086396	GGGCDDDFF 	C39H49N9O16S	931.3019	NA	PeJP	NA	NA
+PJ086397	GTTCCCCNK 	C32H57N11O13S4	931.302	NA	PeJP	NA	NA
+PJ086398	SSCCDMMR 	C32H57N11O13S4	931.3021	NA	PeJP	NA	NA
+PJ086399	CCNNNNNH 	C32H49N15O14S2	931.3025	NA	PeJP	NA	NA
+PJ086400	GGGGGGGGCCNH 	C32H49N15O14S2	931.3026	NA	PeJP	NA	NA
+PJ086401	GPTCCCYW 	C40H53N9O11S3	931.3027	NA	PeJP	NA	NA
+PJ086402	ACCCCHHR 	C33H53N15O9S4	931.3034	NA	PeJP	NA	NA
+PJ086403	GSSSSDDDY 	C35H49N9O21	931.3043	NA	PeJP	NA	NA
+PJ086404	GSPPDDDDD 	C35H49N9O21	931.3044	NA	PeJP	NA	NA
+PJ086405	GSNDDMMY 	C36H53N9O16S2	931.3052	NA	PeJP	NA	NA
+PJ086406	GSSCMMMW 	C37H57N9O11S4	931.3061	NA	PeJP	NA	NA
+PJ086407	GCCNDHHF 	C37H49N13O12S2	931.3066	NA	PeJP	NA	NA
+PJ086408	CCCFFFY 	C45H53N7O9S3	931.3067	NA	PeJP	NA	NA
+PJ086409	DDDEEFY 	C40H49N7O19	931.3084	NA	PeJP	NA	NA
+PJ086410	GSSSSDMMM 	C33H57N9O16S3	931.3086	NA	PeJP	NA	NA
+PJ086411	SCNNNDEH 	C33H49N13O17S	931.309	NA	PeJP	NA	NA
+PJ086412	GCDDDDHR 	C33H49N13O17S	931.3091	NA	PeJP	NA	NA
+PJ086413	GSNMMMMM 	C34H61N9O11S5	931.3094	NA	PeJP	NA	NA
+PJ086414	GGGSMMMMM 	C34H61N9O11S5	931.3095	NA	PeJP	NA	NA
+PJ086415	GCCCNNRY 	C34H53N13O12S3	931.3099	NA	PeJP	NA	NA
+PJ086416	DEEMMMF 	C38H57N7O14S3	931.3126	NA	PeJP	NA	NA
+PJ086417	NDDDMHW 	C38H49N11O15S	931.3131	NA	PeJP	NA	NA
+PJ086418	CCCDFRW 	C39H53N11O10S3	931.3139	NA	PeJP	NA	NA
+PJ086419	SSNDDEEH 	C34H49N11O20	931.3156	NA	PeJP	NA	NA
+PJ086420	GSCCDERY 	C35H53N11O15S2	931.3164	NA	PeJP	NA	NA
+PJ086421	GGGGGGSSCMY 	C35H53N11O15S2	931.3165	NA	PeJP	NA	NA
+PJ086422	GPCCCMRY 	C36H57N11O10S4	931.3173	NA	PeJP	NA	NA
+PJ086423	GCCMFWW 	C44H53N9O8S3	931.318	NA	PeJP	NA	NA
+PJ086424	SSSSSSSSCN 	C31H53N11O20S	931.3189	NA	PeJP	NA	NA
+PJ086425	NNDDEYY 	C39H49N9O18	931.3196	NA	PeJP	NA	NA
+PJ086426	SSSSCCCQK 	C32H57N11O15S3	931.3198	NA	PeJP	NA	NA
+PJ086427	SCNEMYW 	C40H53N9O13S2	931.3205	NA	PeJP	NA	NA
+PJ086428	GTCCMMMR 	C33H61N11O10S5	931.3207	NA	PeJP	NA	NA
+PJ086429	SSCCCHHR 	C33H53N15O11S3	931.3212	NA	PeJP	NA	NA
+PJ086430	SSTCDQEY 	C36H53N9O18S	931.3229	NA	PeJP	NA	NA
+PJ086431	SSSNDEMY 	C36H53N9O18S	931.323	NA	PeJP	NA	NA
+PJ086432	SSSTCMMW 	C37H57N9O13S3	931.3238	NA	PeJP	NA	NA
+PJ086433	GSCNNDHW 	C37H49N13O14S	931.3243	NA	PeJP	NA	NA
+PJ086434	ACCFYYY 	C45H53N7O11S2	931.3245	NA	PeJP	NA	NA
+PJ086435	CCKMMMW 	C38H61N9O8S5	931.3247	NA	PeJP	NA	NA
+PJ086436	SSSSSSEMM 	C33H57N9O18S2	931.3263	NA	PeJP	NA	NA
+PJ086437	GSSSNNDDH 	C33H49N13O19	931.3268	NA	PeJP	NA	NA
+PJ086438	PDDEMYY 	C41H53N7O16S	931.327	NA	PeJP	NA	NA
+PJ086439	SSSQMMMM 	C34H61N9O13S4	931.3272	NA	PeJP	NA	NA
+PJ086440	SPCCDDHR 	C34H53N13O14S2	931.3277	NA	PeJP	NA	NA
+PJ086441	GCDEHWW 	C42H49N11O12S	931.3283	NA	PeJP	NA	NA
+PJ086442	ACCCKMHH 	C35H57N13O9S4	931.3286	NA	PeJP	NA	NA
+PJ086443	TEEEMMY 	C38H57N7O16S2	931.3304	NA	PeJP	NA	NA
+PJ086444	GSSDDEHW 	C38H49N11O17	931.3308	NA	PeJP	NA	NA
+PJ086445	GGGGGPDDDW 	C38H49N11O17	931.3309	NA	PeJP	NA	NA
+PJ086446	PEMMMMY 	C39H61N7O11S4	931.3312	NA	PeJP	NA	NA
+PJ086447	SCCDRYW 	C39H53N11O12S2	931.3317	NA	PeJP	NA	NA
+PJ086448	SSSCDDRY 	C35H53N11O17S	931.3342	NA	PeJP	NA	NA
+PJ086449	GNDDYYW 	C43H49N9O15	931.3348	NA	PeJP	NA	NA
+PJ086450	GGGDDYYW 	C43H49N9O15	931.3349	NA	PeJP	NA	NA
+PJ086451	CNDMMRY 	C36H57N11O12S3	931.3351	NA	PeJP	NA	NA
+PJ086452	GSCMYWW 	C44H53N9O10S2	931.3357	NA	PeJP	NA	NA
+PJ086453	CMMHHHH 	C37H53N15O8S3	931.3364	NA	PeJP	NA	NA
+PJ086454	GSSSSSSCCK 	C32H57N11O17S2	931.3376	NA	PeJP	NA	NA
+PJ086455	NNNNNNND 	C32H49N15O18	931.338	NA	PeJP	NA	NA
+PJ086456	GGGGGGNNNND 	C32H49N15O18	931.3381	NA	PeJP	NA	NA
+PJ086457	GSSSDMYW 	C40H53N9O15S	931.3382	NA	PeJP	NA	NA
+PJ086458	SSSCMMMR 	C33H61N11O12S4	931.3384	NA	PeJP	NA	NA
+PJ086459	GCCNNEHR 	C33H53N15O13S2	931.3389	NA	PeJP	NA	NA
+PJ086460	GNMMMYW 	C41H57N9O10S3	931.3391	NA	PeJP	NA	NA
+PJ086461	GSSSSSEEY 	C36H53N9O20	931.3407	NA	PeJP	NA	NA
+PJ086462	GSSQEMMY 	C37H57N9O15S2	931.3416	NA	PeJP	NA	NA
+PJ086463	GNNNDDHF 	C37H49N13O16	931.3421	NA	PeJP	NA	NA
+PJ086464	GTCYYYY 	C45H53N7O13S	931.3422	NA	PeJP	NA	NA
+PJ086465	NQMMMMF 	C38H61N9O10S4	931.3424	NA	PeJP	NA	NA
+PJ086466	GPCCKMMY 	C38H61N9O10S4	931.3425	NA	PeJP	NA	NA
+PJ086467	CNNQMHW 	C38H53N13O11S2	931.3429	NA	PeJP	NA	NA
+PJ086468	GGGGGACMHW 	C38H53N13O11S2	931.343	NA	PeJP	NA	NA
+PJ086469	CDHWWW 	C46H49N11O9S	931.3436	NA	PeJP	NA	NA
+PJ086470	AEEEEYY 	C41H53N7O18	931.3447	NA	PeJP	NA	NA
+PJ086471	GSSSTTMMM 	C34H61N9O15S3	931.345	NA	PeJP	NA	NA
+PJ086472	GSDDDMHR 	C34H53N13O16S	931.3454	NA	PeJP	NA	NA
+PJ086473	GGGGGGSSEMH 	C34H53N13O16S	931.3455	NA	PeJP	NA	NA
+PJ086474	PDEMMFY 	C42H57N7O13S2	931.3456	NA	PeJP	NA	NA
+PJ086475	GTCKMMMM 	C35H65N9O10S5	931.3458	NA	PeJP	NA	NA
+PJ086476	SSDDHWW 	C42H49N11O14	931.3461	NA	PeJP	NA	NA
+PJ086477	CCCERRY 	C35H57N13O11S3	931.3463	NA	PeJP	NA	NA
+PJ086478	GCNNNHHH 	C35H49N17O12S	931.3468	NA	PeJP	NA	NA
+PJ086479	PTCCHWW 	C43H53N11O9S2	931.347	NA	PeJP	NA	NA
+PJ086480	VEEMMMY 	C39H61N7O13S3	931.349	NA	PeJP	NA	NA
+PJ086481	NNNNMYY 	C39H53N11O14S	931.3494	NA	PeJP	NA	NA
+PJ086482	SNEEMHW 	C39H53N11O14S	931.3495	NA	PeJP	NA	NA
+PJ086483	ACCMRYW 	C40H57N11O9S3	931.3503	NA	PeJP	NA	NA
+PJ086484	CDHHHHF 	C40H49N15O10S	931.3508	NA	PeJP	NA	NA
+PJ086485	SSSSSSNNY 	C35H53N11O19	931.3519	NA	PeJP	NA	NA
+PJ086486	GGGGSSSSSSY 	C35H53N11O19	931.352	NA	PeJP	NA	NA
+PJ086487	GSSCEMRY 	C36H57N11O14S2	931.3528	NA	PeJP	NA	NA
+PJ086488	GGGGGGPPDMM 	C36H57N11O14S2	931.3529	NA	PeJP	NA	NA
+PJ086489	GSNDEHHH 	C36H49N15O15	931.3533	NA	PeJP	NA	NA
+PJ086490	SSTCYWW 	C44H53N9O12S	931.3535	NA	PeJP	NA	NA
+PJ086491	CNMMMFR 	C37H61N11O9S4	931.3537	NA	PeJP	NA	NA
+PJ086492	CCNNHRW 	C37H53N15O10S2	931.3542	NA	PeJP	NA	NA
+PJ086493	SSSSSEYW 	C40H53N9O17	931.356	NA	PeJP	NA	NA
+PJ086494	SSSSCCCKK 	C33H61N11O14S3	931.3562	NA	PeJP	NA	NA
+PJ086495	SSCNNDHR 	C33H53N15O15S	931.3567	NA	PeJP	NA	NA
+PJ086496	SSQMMYW 	C41H57N9O12S2	931.3568	NA	PeJP	NA	NA
+PJ086497	PPPTCCEW 	C41H57N9O12S2	931.3569	NA	PeJP	NA	NA
+PJ086498	SSSTQEMY 	C37H57N9O17S	931.3593	NA	PeJP	NA	NA
+PJ086499	SPPNEEEM 	C37H57N9O17S	931.3594	NA	PeJP	NA	NA
+PJ086500	SSSYYYY 	C45H53N7O15	931.36	NA	PeJP	NA	NA
+PJ086501	NDKMMMY 	C38H61N9O12S3	931.3602	NA	PeJP	NA	NA
+PJ086502	SCDEHRW 	C38H53N13O13S	931.3607	NA	PeJP	NA	NA
+PJ086503	PCCMHRW 	C39H57N13O8S3	931.3616	NA	PeJP	NA	NA
+PJ086504	SSSSTTTMM 	C34H61N9O17S2	931.3627	NA	PeJP	NA	NA
+PJ086505	SSSDDEHR 	C34H53N13O18	931.3632	NA	PeJP	NA	NA
+PJ086506	PTEEMYY 	C42H57N7O15S	931.3634	NA	PeJP	NA	NA
+PJ086507	SSSKMMMM 	C35H65N9O12S4	931.3636	NA	PeJP	NA	NA
+PJ086508	ATNNNMMH 	C35H57N13O13S2	931.364	NA	PeJP	NA	NA
+PJ086509	NDEMMHR 	C35H57N13O13S2	931.3641	NA	PeJP	NA	NA
+PJ086510	PPMMMYY 	C43H61N7O10S3	931.3642	NA	PeJP	NA	NA
+PJ086511	GSEMHWW 	C43H53N11O11S	931.3647	NA	PeJP	NA	NA
+PJ086512	PDDDERW 	C39H53N11O16	931.3672	NA	PeJP	NA	NA
+PJ086513	LEMMMMF 	C40H65N7O10S4	931.3676	NA	PeJP	NA	NA
+PJ086514	SSCMRYW 	C40H57N11O11S2	931.3681	NA	PeJP	NA	NA
+PJ086515	SNDHHHW 	C40H49N15O12	931.3686	NA	PeJP	NA	NA
+PJ086516	CQFYWW 	C48H53N9O9S	931.3687	NA	PeJP	NA	NA
+PJ086517	SSSSDMRY 	C36H57N11O16S	931.3706	NA	PeJP	NA	NA
+PJ086518	GPEEEWW 	C44H53N9O14	931.3712	NA	PeJP	NA	NA
+PJ086519	GGGGDEFFF 	C44H53N9O14	931.3713	NA	PeJP	NA	NA
+PJ086520	SNMMMRY 	C37H61N11O11S3	931.3714	NA	PeJP	NA	NA
+PJ086521	GGSMMMRY 	C37H61N11O11S3	931.3715	NA	PeJP	NA	NA
+PJ086522	NQEMHHH 	C37H53N15O12S	931.3719	NA	PeJP	NA	NA
+PJ086523	GGGGGGPPCHH 	C37H53N15O12S	931.372	NA	PeJP	NA	NA
+PJ086524	GNMMFFW 	C45H57N9O9S2	931.3721	NA	PeJP	NA	NA
+PJ086525	GNNNNDER 	C33H53N15O17	931.3744	NA	PeJP	NA	NA
+PJ086526	GGGGGGGNDER 	C33H53N15O17	931.3745	NA	PeJP	NA	NA
+PJ086527	GSSTTMYW 	C41H57N9O14S	931.3746	NA	PeJP	NA	NA
+PJ086528	NFYYYY 	C49H53N7O12	931.3752	NA	PeJP	NA	NA
+PJ086529	CDDMHRR 	C34H57N15O12S2	931.3753	NA	PeJP	NA	NA
+PJ086530	ACKMMYW 	C42H61N9O9S3	931.3755	NA	PeJP	NA	NA
+PJ086531	CNQHHFF 	C42H53N13O10S	931.3759	NA	PeJP	NA	NA
+PJ086532	GGCQHHFF 	C42H53N13O10S	931.376	NA	PeJP	NA	NA
+PJ086533	GSSSTTTEY 	C37H57N9O19	931.3771	NA	PeJP	NA	NA
+PJ086534	GSSKEMMY 	C38H61N9O14S2	931.378	NA	PeJP	NA	NA
+PJ086535	SSSSNQHW 	C38H53N13O15	931.3784	NA	PeJP	NA	NA
+PJ086536	GGGGSSSTHW 	C38H53N13O15	931.3785	NA	PeJP	NA	NA
+PJ086537	PPDMFYY 	C46H57N7O12S	931.3786	NA	PeJP	NA	NA
+PJ086538	NKMMMMF 	C39H65N9O9S4	931.3788	NA	PeJP	NA	NA
+PJ086539	GGKMMMMF 	C39H65N9O9S4	931.3789	NA	PeJP	NA	NA
+PJ086540	GDMMHRW 	C39H57N13O10S2	931.3793	NA	PeJP	NA	NA
+PJ086541	SMHWWW 	C47H53N11O8S	931.38	NA	PeJP	NA	NA
+PJ086542	SLEEEYY 	C42H57N7O17	931.3811	NA	PeJP	NA	NA
+PJ086543	GSSEEMHR 	C35H57N13O15S	931.3818	NA	PeJP	NA	NA
+PJ086544	GGGGGGGGAASPM 	C35H57N13O15S	931.3819	NA	PeJP	NA	NA
+PJ086545	PVEMMYY 	C43H61N7O12S2	931.382	NA	PeJP	NA	NA
+PJ086546	SSTEHWW 	C43H53N11O13	931.3825	NA	PeJP	NA	NA
+PJ086547	TCCMRRY 	C36H61N13O10S3	931.3827	NA	PeJP	NA	NA
+PJ086548	CNEHHHR 	C36H53N17O11S	931.3832	NA	PeJP	NA	NA
+PJ086549	AAMMHWW 	C44H57N11O8S2	931.3833	NA	PeJP	NA	NA
+PJ086550	SDKEMHW 	C40H57N11O13S	931.3858	NA	PeJP	NA	NA
+PJ086551	GGGAPQEMW 	C40H57N11O13S	931.3859	NA	PeJP	NA	NA
+PJ086552	PEEWWW 	C48H53N9O11	931.3865	NA	PeJP	NA	NA
+PJ086553	PCKMMHW 	C41H61N11O8S3	931.3867	NA	PeJP	NA	NA
+PJ086554	GQMHHHW 	C41H53N15O9S	931.3872	NA	PeJP	NA	NA
+PJ086555	ASPDEEER 	C36H57N11O18	931.3883	NA	PeJP	NA	NA
+PJ086556	GSPEEEER 	C36H57N11O18	931.3884	NA	PeJP	NA	NA
+PJ086557	GSSTMMRY 	C37H61N11O13S2	931.3892	NA	PeJP	NA	NA
+PJ086558	NNNNDRW 	C37H53N15O14	931.3897	NA	PeJP	NA	NA
+PJ086559	SPPEMWW 	C45H57N9O11S	931.3899	NA	PeJP	NA	NA
+PJ086560	APCCKHHH 	C38H57N15O9S2	931.3906	NA	PeJP	NA	NA
+PJ086561	NNHHHHH 	C38H49N19O10	931.391	NA	PeJP	NA	NA
+PJ086562	SSSTTTYW 	C41H57N9O16	931.3923	NA	PeJP	NA	NA
+PJ086563	PDKEEEW 	C41H57N9O16	931.3924	NA	PeJP	NA	NA
+PJ086564	SSSNNMHR 	C34H57N15O14S	931.393	NA	PeJP	NA	NA
+PJ086565	GPCNDDRR 	C34H57N15O14S	931.3931	NA	PeJP	NA	NA
+PJ086566	SSKMMYW 	C42H61N9O11S2	931.3932	NA	PeJP	NA	NA
+PJ086567	GNNQQWW 	C42H53N13O12	931.3937	NA	PeJP	NA	NA
+PJ086568	SSSTKEMY 	C38H61N9O16S	931.3957	NA	PeJP	NA	NA
+PJ086569	GGAPLEEEM 	C38H61N9O16S	931.3958	NA	PeJP	NA	NA
+PJ086570	PPTEYYY 	C46H57N7O14	931.3964	NA	PeJP	NA	NA
+PJ086571	TQKMMMY 	C39H65N9O11S3	931.3966	NA	PeJP	NA	NA
+PJ086572	SSEMHRW 	C39H57N13O12S	931.3971	NA	PeJP	NA	NA
+PJ086573	PPMMFFY 	C47H61N7O9S2	931.3973	NA	PeJP	NA	NA
+PJ086574	GSPNWWW 	C47H53N11O10	931.3977	NA	PeJP	NA	NA
+PJ086575	GCHHHRW 	C40H53N17O8S	931.3984	NA	PeJP	NA	NA
+PJ086576	SSSTEEHR 	C35H57N13O17	931.3996	NA	PeJP	NA	NA
+PJ086577	VVEEMYY 	C43H61N7O14S	931.3998	NA	PeJP	NA	NA
+PJ086578	TQEMMHR 	C36H61N13O12S2	931.4004	NA	PeJP	NA	NA
+PJ086579	GATEMMHR 	C36H61N13O12S2	931.4005	NA	PeJP	NA	NA
+PJ086580	PLMMMFY 	C44H65N7O9S3	931.4006	NA	PeJP	NA	NA
+PJ086581	GSSDHHHR 	C36H53N17O13	931.4009	NA	PeJP	NA	NA
+PJ086582	ATTMHWW 	C44H57N11O10S	931.4011	NA	PeJP	NA	NA
+PJ086583	SPEEERW 	C40H57N11O15	931.4036	NA	PeJP	NA	NA
+PJ086584	LLMMMMY 	C41H69N7O9S4	931.404	NA	PeJP	NA	NA
+PJ086585	PPDMMRW 	C41H61N11O10S2	931.4045	NA	PeJP	NA	NA
+PJ086586	STQHHHW 	C41H53N15O11	931.4049	NA	PeJP	NA	NA
+PJ086587	GGGGPQHHW 	C41H53N15O11	931.405	NA	PeJP	NA	NA
+PJ086588	CKFYWW 	C49H57N9O8S	931.4051	NA	PeJP	NA	NA
+PJ086589	SSSTTMRY 	C37H61N11O15S	931.407	NA	PeJP	NA	NA
+PJ086590	SPVEEWW 	C45H57N9O13	931.4076	NA	PeJP	NA	NA
+PJ086591	TCKMMRY 	C38H65N11O10S3	931.4078	NA	PeJP	NA	NA
+PJ086592	GGGVLMMMH 	C38H65N11O10S3	931.4079	NA	PeJP	NA	NA
+PJ086593	NNNMHFR 	C38H57N15O11S	931.4083	NA	PeJP	NA	NA
+PJ086594	PPCLMWW 	C46H61N9O8S2	931.4085	NA	PeJP	NA	NA
+PJ086595	NNDEERR 	C34H57N15O16	931.4108	NA	PeJP	NA	NA
+PJ086596	GGGGGGGGGGGGTK 	C34H57N15O16	931.4109	NA	PeJP	NA	NA
+PJ086597	PLQEEMW 	C42H61N9O13S	931.411	NA	PeJP	NA	NA
+PJ086598	PPDFFFY 	C50H57N7O11	931.4116	NA	PeJP	NA	NA
+PJ086599	SDMMHRR 	C35H61N15O11S2	931.4117	NA	PeJP	NA	NA
+PJ086600	GPCQRWW 	C43H57N13O9S	931.4123	NA	PeJP	NA	NA
+PJ086601	AHFWWW 	C51H53N11O7	931.413	NA	PeJP	NA	NA
+PJ086602	SSSSSTTLY 	C38H61N9O18	931.4135	NA	PeJP	NA	NA
+PJ086603	GTTTKMMY 	C39H65N9O13S2	931.4144	NA	PeJP	NA	NA
+PJ086604	GQQEERW 	C39H57N13O14	931.4148	NA	PeJP	NA	NA
+PJ086605	GGGAAEERW 	C39H57N13O14	931.4149	NA	PeJP	NA	NA
+PJ086606	PPVMYYY 	C47H61N7O11S	931.415	NA	PeJP	NA	NA
+PJ086607	ATMMHRW 	C40H61N13O9S2	931.4157	NA	PeJP	NA	NA
+PJ086608	VEHHHHH 	C40H53N17O10	931.4162	NA	PeJP	NA	NA
+PJ086609	PDEEMRR 	C36H61N13O14S	931.4182	NA	PeJP	NA	NA
+PJ086610	VLEMMFY 	C44H65N7O11S2	931.4184	NA	PeJP	NA	NA
+PJ086611	TTTTHWW 	C44H57N11O12	931.4188	NA	PeJP	NA	NA
+PJ086612	GVQQEWW 	C44H57N11O12	931.4189	NA	PeJP	NA	NA
+PJ086613	VQMMMHR 	C37H65N13O9S3	931.4191	NA	PeJP	NA	NA
+PJ086614	SQMHHHR 	C37H57N17O10S	931.4195	NA	PeJP	NA	NA
+PJ086615	GGTMHHHR 	C37H57N17O10S	931.4196	NA	PeJP	NA	NA
+PJ086616	AHHHHFF 	C45H53N15O8	931.4202	NA	PeJP	NA	NA
+PJ086617	GSNNNDRR 	C33H57N17O15	931.422	NA	PeJP	NA	NA
+PJ086618	GGGSNNDRR 	C33H57N17O15	931.4221	NA	PeJP	NA	NA
+PJ086619	PVDEMRW 	C41H61N11O12S	931.4222	NA	PeJP	NA	NA
+PJ086620	GGGGGGPPVMF 	C41H61N11O12S	931.4223	NA	PeJP	NA	NA
+PJ086621	SKYYWW 	C49H57N9O10	931.4229	NA	PeJP	NA	NA
+PJ086622	PPCHHRW 	C42H57N15O8S	931.4236	NA	PeJP	NA	NA
+PJ086623	LQEEEER 	C37H61N11O17	931.4247	NA	PeJP	NA	NA
+PJ086624	GGGGGLKEEE 	C37H61N11O17	931.4248	NA	PeJP	NA	NA
+PJ086625	APPTEMMR 	C38H65N11O12S2	931.4256	NA	PeJP	NA	NA
+PJ086626	GNDERRW 	C38H57N15O13	931.4261	NA	PeJP	NA	NA
+PJ086627	APLEMWW 	C46H61N9O10S	931.4262	NA	PeJP	NA	NA
+PJ086628	PVVDMWW 	C46H61N9O10S	931.4263	NA	PeJP	NA	NA
+PJ086629	VLQEEEW 	C42H61N9O15	931.4287	NA	PeJP	NA	NA
+PJ086630	LLNEEEW 	C42H61N9O15	931.4288	NA	PeJP	NA	NA
+PJ086631	GSPNDMRR 	C35H61N15O13S	931.4294	NA	PeJP	NA	NA
+PJ086632	GGGSPDMRR 	C35H61N15O13S	931.4295	NA	PeJP	NA	NA
+PJ086633	GPPTLMMW 	C43H65N9O10S2	931.4296	NA	PeJP	NA	NA
+PJ086634	QQERWW 	C43H57N13O11	931.4301	NA	PeJP	NA	NA
+PJ086635	AMMMHRR 	C36H65N15O8S3	931.4303	NA	PeJP	NA	NA
+PJ086636	SCHHHRR 	C36H57N19O9S	931.4308	NA	PeJP	NA	NA
+PJ086637	STTTTKMY 	C39H65N9O15S	931.4321	NA	PeJP	NA	NA
+PJ086638	PVVEYYY 	C47H61N7O13	931.4328	NA	PeJP	NA	NA
+PJ086639	TKKMMMY 	C40H69N9O10S3	931.433	NA	PeJP	NA	NA
+PJ086640	SPQQMRW 	C40H61N13O11S	931.4334	NA	PeJP	NA	NA
+PJ086641	TTTMHRW 	C40H61N13O11S	931.4335	NA	PeJP	NA	NA
+PJ086642	PLMMFFF 	C48H65N7O8S2	931.4336	NA	PeJP	NA	NA
+PJ086643	VQQWWW 	C48H57N11O9	931.4341	NA	PeJP	NA	NA
+PJ086644	SSPTQQER 	C36H61N13O16	931.4359	NA	PeJP	NA	NA
+PJ086645	VDEEERR 	C36H61N13O16	931.436	NA	PeJP	NA	NA
+PJ086646	TLLEMYY 	C44H65N7O13S	931.4361	NA	PeJP	NA	NA
+PJ086647	TKEMMHR 	C37H65N13O11S2	931.4368	NA	PeJP	NA	NA
+PJ086648	GGGGGPLMMR 	C37H65N13O11S2	931.4369	NA	PeJP	NA	NA
+PJ086649	LLMMMFF 	C45H69N7O8S3	931.437	NA	PeJP	NA	NA
+PJ086650	PDDHHRR 	C37H57N17O12	931.4373	NA	PeJP	NA	NA
+PJ086651	GPQKMWW 	C45H61N11O9S	931.4375	NA	PeJP	NA	NA
+PJ086652	ALEEERW 	C41H61N11O14	931.44	NA	PeJP	NA	NA
+PJ086653	NNNQMRR 	C34H61N17O12S	931.4407	NA	PeJP	NA	NA
+PJ086654	SLKMMHW 	C42H65N11O9S2	931.4408	NA	PeJP	NA	NA
+PJ086655	VTKMMHW 	C42H65N11O9S2	931.4409	NA	PeJP	NA	NA
+PJ086656	NDRRWW 	C42H57N15O10	931.4413	NA	PeJP	NA	NA
+PJ086657	STTLDKMH 	C38H65N11O14S	931.4433	NA	PeJP	NA	NA
+PJ086658	GPTLEEMR 	C38H65N11O14S	931.4434	NA	PeJP	NA	NA
+PJ086659	GLLEEWW 	C46H61N9O12	931.444	NA	PeJP	NA	NA
+PJ086660	GPPLMMMR 	C39H69N11O9S3	931.4442	NA	PeJP	NA	NA
+PJ086661	SPCQRRW 	C39H61N15O10S	931.4447	NA	PeJP	NA	NA
+PJ086662	AQRWWW 	C47H57N13O8	931.4453	NA	PeJP	NA	NA
+PJ086663	GAARWWW 	C47H57N13O8	931.4454	NA	PeJP	NA	NA
+PJ086664	SQQEERR 	C35H61N15O15	931.4472	NA	PeJP	NA	NA
+PJ086665	PLKEEMW 	C43H65N9O12S	931.4474	NA	PeJP	NA	NA
+PJ086666	PPVFFYY 	C51H61N7O10	931.448	NA	PeJP	NA	NA
+PJ086667	TTMMHRR 	C36H65N15O10S2	931.4481	NA	PeJP	NA	NA
+PJ086668	GPCKRWW 	C44H61N13O8S	931.4487	NA	PeJP	NA	NA
+PJ086669	GVLKEEEE 	C39H65N9O17	931.4499	NA	PeJP	NA	NA
+PJ086670	ASPPVVTMM 	C40H69N9O12S2	931.4507	NA	PeJP	NA	NA
+PJ086671	SPPLKEMM 	C40H69N9O12S2	931.4508	NA	PeJP	NA	NA
+PJ086672	GQKEERW 	C40H61N13O13	931.4512	NA	PeJP	NA	NA
+PJ086673	GGGGGGGAAPKF 	C40H61N13O13	931.4513	NA	PeJP	NA	NA
+PJ086674	PVLMFYY 	C48H65N7O10S	931.4514	NA	PeJP	NA	NA
+PJ086675	CNNNRRR 	C33H61N19O11S	931.4519	NA	PeJP	NA	NA
+PJ086676	CCKKKHW 	C41H65N13O8S2	931.4521	NA	PeJP	NA	NA
+PJ086677	AQHHHFR 	C41H57N17O9	931.4526	NA	PeJP	NA	NA
+PJ086678	SSTTLMHR 	C37H65N13O13S	931.4546	NA	PeJP	NA	NA
+PJ086679	VLLMMYY 	C45H69N7O10S2	931.4548	NA	PeJP	NA	NA
+PJ086680	GVQKEWW 	C45H61N11O11	931.4552	NA	PeJP	NA	NA
+PJ086681	GGGLKEWW 	C45H61N11O11	931.4553	NA	PeJP	NA	NA
+PJ086682	VKMMMHR 	C38H69N13O8S3	931.4555	NA	PeJP	NA	NA
+PJ086683	SKMHHHR 	C38H61N17O9S	931.4559	NA	PeJP	NA	NA
+PJ086684	SNDERRR 	C34H61N17O14	931.4584	NA	PeJP	NA	NA
+PJ086685	GGGGGGGTTRR 	C34H61N17O14	931.4585	NA	PeJP	NA	NA
+PJ086686	PTLEMRW 	C42H65N11O11S	931.4586	NA	PeJP	NA	NA
+PJ086687	LLEWWW 	C50H61N9O9	931.4593	NA	PeJP	NA	NA
+PJ086688	MHFRRW 	C43H61N15O7S	931.46	NA	PeJP	NA	NA
+PJ086689	LKEEEER 	C38H65N11O16	931.4611	NA	PeJP	NA	NA
+PJ086690	GPVLEMMR 	C39H69N11O11S2	931.462	NA	PeJP	NA	NA
+PJ086691	ASQERRW 	C39H61N15O12	931.4624	NA	PeJP	NA	NA
+PJ086692	GTQERRW 	C39H61N15O12	931.4625	NA	PeJP	NA	NA
+PJ086693	SPLLMWW 	C47H65N9O9S	931.4626	NA	PeJP	NA	NA
+PJ086694	VLKEEEW 	C43H65N9O14	931.4651	NA	PeJP	NA	NA
+PJ086695	GGAPLLEEF 	C43H65N9O14	931.4652	NA	PeJP	NA	NA
+PJ086696	VNQEMRR 	C36H65N15O12S	931.4658	NA	PeJP	NA	NA
+PJ086697	GGGGGGGVKMR 	C36H65N15O12S	931.4659	NA	PeJP	NA	NA
+PJ086698	AAPLLMMW 	C44H69N9O9S2	931.466	NA	PeJP	NA	NA
+3657	NA	VTKFYFQ	931.466	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ086699	QKERWW 	C44H61N13O10	931.4665	NA	PeJP	NA	NA
+PJ086700	SPVLKEEM 	C40H69N9O14S	931.4685	NA	PeJP	NA	NA
+PJ086701	PTLLYYY 	C48H65N7O12	931.4691	NA	PeJP	NA	NA
+PJ086702	TLLEFFY 	C48H65N7O12	931.4692	NA	PeJP	NA	NA
+PJ086703	PPVVKMMM 	C41H73N9O9S3	931.4694	NA	PeJP	NA	NA
+PJ086704	SPQKMRW 	C41H65N13O10S	931.4698	NA	PeJP	NA	NA
+PJ086705	GGPTKMRW 	C41H65N13O10S	931.4699	NA	PeJP	NA	NA
+PJ086706	VQKWWW 	C49H61N11O8	931.4705	NA	PeJP	NA	NA
+PJ086707	NKKEEER 	C37H65N13O15	931.4723	NA	PeJP	NA	NA
+PJ086708	TLEEERR 	C37H65N13O15	931.4724	NA	PeJP	NA	NA
+PJ086709	PLEMMRR 	C38H69N13O10S2	931.4732	NA	PeJP	NA	NA
+PJ086710	GSDRRRW 	C38H61N17O11	931.4737	NA	PeJP	NA	NA
+PJ086711	GPKKMWW 	C46H65N11O8S	931.4739	NA	PeJP	NA	NA
+PJ086712	SLLEERW 	C42H65N11O13	931.4764	NA	PeJP	NA	NA
+PJ086713	CNQQKRR 	C35H65N17O11S	931.477	NA	PeJP	NA	NA
+PJ086714	GQEMRRR 	C35H65N17O11S	931.4771	NA	PeJP	NA	NA
+PJ086715	PVLMMRW 	C43H69N11O8S2	931.4772	NA	PeJP	NA	NA
+PJ086716	TQRRWW 	C43H61N15O9	931.4777	NA	PeJP	NA	NA
+PJ086717	SSPLLEMR 	C39H69N11O13S	931.4797	NA	PeJP	NA	NA
+PJ086718	AALLEEMR 	C39H69N11O13S	931.4798	NA	PeJP	NA	NA
+MJ098054	Discobahamin A 	C47H65N9O11	931.480353	NA	MeJP	NA	NA
+PJ086719	SVLLEWW 	C47H65N9O11	931.4804	NA	PeJP	NA	NA
+PJ086720	GVQMRRW 	C40H65N15O9S	931.4811	NA	PeJP	NA	NA
+PJ086721	AKRWWW 	C48H61N13O7	931.4817	NA	PeJP	NA	NA
+PJ086722	SQKEERR 	C36H65N15O14	931.4836	NA	PeJP	NA	NA
+PJ086723	SLKKMYY 	C44H69N9O11S	931.4837	NA	PeJP	NA	NA
+PJ086724	LLLQEMW 	C44H69N9O11S	931.4838	NA	PeJP	NA	NA
+PJ086725	PVLFFFY 	C52H65N7O9	931.4844	NA	PeJP	NA	NA
+PJ086726	PNKMMRR 	C37H69N15O9S2	931.4845	NA	PeJP	NA	NA
+PJ086727	AQQHHRR 	C37H61N19O10	931.4849	NA	PeJP	NA	NA
+PJ086728	ATLLKEEE 	C40H69N9O16	931.4863	NA	PeJP	NA	NA
+PJ086729	APLLKEMM 	C41H73N9O11S2	931.4871	NA	PeJP	NA	NA
+PJ086730	GKKEERW 	C41H65N13O12	931.4876	NA	PeJP	NA	NA
+PJ086731	VLLMFFY 	C49H69N7O9S	931.4878	NA	PeJP	NA	NA
+PJ086732	GCERRRR 	C34H65N19O10S	931.4883	NA	PeJP	NA	NA
+PJ086733	AKHHHFR 	C42H61N17O8	931.4889	NA	PeJP	NA	NA
+PJ086734	VLEEMRR 	C38H69N13O12S	931.491	NA	PeJP	NA	NA
+PJ086735	GVKKEWW 	C46H65N11O10	931.4916	NA	PeJP	NA	NA
+PJ086736	QMRRRW 	C39H65N17O8S	931.4923	NA	PeJP	NA	NA
+PJ086737	STQERRR 	C35H65N17O13	931.4948	NA	PeJP	NA	NA
+PJ086738	VVLEMRW 	C43H69N11O10S	931.495	NA	PeJP	NA	NA
+PJ086739	APLLFWW 	C51H65N9O8	931.4957	NA	PeJP	NA	NA
+PJ086740	GNHHRRR 	C36H61N21O9	931.4962	NA	PeJP	NA	NA
+PJ086741	ATTLLEER 	C39H69N11O15	931.4975	NA	PeJP	NA	NA
+PJ086742	APTLLMMR 	C40H73N11O10S2	931.4984	NA	PeJP	NA	NA
+PJ086743	GTKERRW 	C40H65N15O11	931.4988	NA	PeJP	NA	NA
+PJ086744	GGGGSKKRW 	C40H65N15O11	931.4989	NA	PeJP	NA	NA
+2672	synthetic fr, of human beta-CN (122-129) ACE inhibitor	ENLHLPLP	931.4989	NA	Inhouse_peptide	NA	peptide
+PJ086745	ALLLMWW 	C48H69N9O8S	931.499	NA	PeJP	NA	NA
+PJ086746	GTTLLLEW 	C44H69N9O13	931.5015	NA	PeJP	NA	NA
+PJ086747	VNKEMRR 	C37H69N15O11S	931.5022	NA	PeJP	NA	NA
+PJ086748	KKERWW 	C45H65N13O9	931.5029	NA	PeJP	NA	NA
+PJ086749	CRRRRW 	C38H65N19O7S	931.5036	NA	PeJP	NA	NA
+PJ086750	GLLLKEEM 	C41H73N9O13S	931.5049	NA	PeJP	NA	NA
+PJ086751	VVLLYYY 	C49H69N7O11	931.5055	NA	PeJP	NA	NA
+PJ086752	SSDRRRR 	C34H65N19O12	931.5061	NA	PeJP	NA	NA
+PJ086753	SPKKMRW 	C42H69N13O9S	931.5062	NA	PeJP	NA	NA
+PJ086754	VKKWWW 	C50H65N11O7	931.5069	NA	PeJP	NA	NA
+PJ086755	DKKKEER 	C38H69N13O14	931.5087	NA	PeJP	NA	NA
+PJ086756	GGGGATKKKE 	C38H69N13O14	931.5088	NA	PeJP	NA	NA
+PJ086757	AAPKKMMR 	C39H73N13O9S2	931.5096	NA	PeJP	NA	NA
+PJ086758	GTTRRRW 	C39H65N17O10	931.5101	NA	PeJP	NA	NA
+PJ086759	TLQKKEW 	C43H69N11O12	931.5127	NA	PeJP	NA	NA
+PJ086760	VDKKKEW 	C43H69N11O12	931.5128	NA	PeJP	NA	NA
+PJ086761	SVQMRRR 	C36H69N17O10S	931.5134	NA	PeJP	NA	NA
+PJ086762	GKEMRRR 	C36H69N17O10S	931.5135	NA	PeJP	NA	NA
+PJ086763	TKRRWW 	C44H65N15O8	931.5141	NA	PeJP	NA	NA
+PJ086764	GTLLLEMR 	C40H73N11O12S	931.5161	NA	PeJP	NA	NA
+PJ086765	TTLLLWW 	C48H69N9O10	931.5168	NA	PeJP	NA	NA
+PJ086766	GVKMRRW 	C41H69N15O8S	931.5175	NA	PeJP	NA	NA
+PJ086767	SKKEERR 	C37H69N15O13	931.52	NA	PeJP	NA	NA
+PJ086768	LLLKEMW 	C45H73N9O10S	931.5202	NA	PeJP	NA	NA
+PJ086769	VLLFFFF 	C53H69N7O8	931.5208	NA	PeJP	NA	NA
+PJ086770	PPNHRRR 	C38H65N19O9	931.5213	NA	PeJP	NA	NA
+PJ086771	VTTILKEE 	C41H73N9O15	931.5226	NA	PeJP	NA	NA
+PJ086772	STLLLKEE 	C41H73N9O15	931.5227	NA	PeJP	NA	NA
+PJ086773	SPLLLKMM 	C42H77N9O10S2	931.5235	NA	PeJP	NA	NA
+PJ086774	SVKKERW 	C42H69N13O11	931.524	NA	PeJP	NA	NA
+PJ086775	GTMRRRR 	C35H69N19O9S	931.5247	NA	PeJP	NA	NA
+PJ086776	LQKKEMR 	C39H73N13O11S	931.5274	NA	PeJP	NA	NA
+PJ086777	ATLKKWW 	C47H69N11O9	931.528	NA	PeJP	NA	NA
+PJ086778	KMRRRW 	C40H69N17O7S	931.5287	NA	PeJP	NA	NA
+PJ086779	STKERRR 	C36H69N17O12	931.5312	NA	PeJP	NA	NA
+PJ086780	TLLLMRW 	C44H73N11O9S	931.5314	NA	PeJP	NA	NA
+PJ086781	STTLLLER 	C40H73N11O14	931.5339	NA	PeJP	NA	NA
+PJ086782	GVLLLMMR 	C41H77N11O9S2	931.5348	NA	PeJP	NA	NA
+PJ086783	SSLKRRW 	C41H69N15O10	931.5352	NA	PeJP	NA	NA
+PJ086784	SSTLLLLW 	C45H73N9O12	931.5379	NA	PeJP	NA	NA
+PJ086785	VDKKMRR 	C38H73N15O10S	931.5386	NA	PeJP	NA	NA
+PJ086786	VLLKHHW 	C46H69N13O8	931.5392	NA	PeJP	NA	NA
+PJ086787	APKKFRW 	C46H69N13O8	931.5393	NA	PeJP	NA	NA
+PJ086788	SVLLLKEM 	C42H77N9O12S	931.5413	NA	PeJP	NA	NA
+PJ086789	STTRRRR 	C35H69N19O11	931.5424	NA	PeJP	NA	NA
+PJ086790	ALKKMRW 	C43H73N13O8S	931.5426	NA	PeJP	NA	NA
+PJ086791	GTTLKKER 	C39H73N13O13	931.5451	NA	PeJP	NA	NA
+PJ086792	LLLMMRR 	C40H77N13O8S2	931.546	NA	PeJP	NA	NA
+PJ086793	GPKRRRY 	C40H69N17O9	931.5465	NA	PeJP	NA	NA
+PJ086794	TLKKKEW 	C44H73N11O11	931.5491	NA	PeJP	NA	NA
+PJ086795	GGGPLLKKY 	C44H73N11O11	931.5492	NA	PeJP	NA	NA
+PJ086796	SVKMRRR 	C37H73N17O9S	931.5498	NA	PeJP	NA	NA
+PJ086797	SSLLLLMR 	C41H77N11O11S	931.5525	NA	PeJP	NA	NA
+PJ086798	PLLLKYW 	C49H73N9O9	931.5532	NA	PeJP	NA	NA
+PJ086799	GTTTLKRR 	C38H73N15O12	931.5564	NA	PeJP	NA	NA
+PJ086800	APLLLKMF 	C46H77N9O9S	931.5565	NA	PeJP	NA	NA
+PJ086801	AAFRRRR 	C39H69N19O8	931.5577	NA	PeJP	NA	NA
+PJ086802	SSSSLLLLL 	C42H77N9O14	931.559	NA	PeJP	NA	NA
+PJ086803	ALLLLKMM 	C43H81N9O9S2	931.5599	NA	PeJP	NA	NA
+PJ086804	TTLKKRW 	C43H73N13O10	931.5604	NA	PeJP	NA	NA
+PJ086805	LKKKEMR 	C40H77N13O10S	931.5638	NA	PeJP	NA	NA
+PJ086806	VVLLFRW 	C48H73N11O8	931.5644	NA	PeJP	NA	NA
+PJ086807	VLKKKMW 	C45H77N11O8S	931.5678	NA	PeJP	NA	NA
+PJ086808	SSLLKKKE 	C41H77N11O13	931.5703	NA	PeJP	NA	NA
+PJ086809	PTKKFRR 	C42H73N15O9	931.5716	NA	PeJP	NA	NA
+PJ086810	SPVLLLKY 	C46H77N9O11	931.5743	NA	PeJP	NA	NA
+PJ086811	TLKKMRR 	C39H77N15O9S	931.575	NA	PeJP	NA	NA
+PJ086812	TTLLLLKM 	C43H81N9O11S	931.5777	NA	PeJP	NA	NA
+PJ086813	SSTLLKKR 	C40H77N13O12	931.5815	NA	PeJP	NA	NA
+PJ086814	AVKFRRR 	C41H73N17O8	931.5828	NA	PeJP	NA	NA
+PJ086815	GLKFRRR 	C41H73N17O8	931.5829	NA	PeJP	NA	NA
+PJ086816	AALLLLRY 	C45H77N11O10	931.5855	NA	PeJP	NA	NA
+PJ086817	ATLLKKKM 	C42H81N11O10S	931.5889	NA	PeJP	NA	NA
+PJ086818	LLLLKFW 	C50H77N9O8	931.5896	NA	PeJP	NA	NA
+PJ086819	GSTKKKKR 	C39H77N15O11	931.5927	NA	PeJP	NA	NA
+PJ086820	SKKKKKW 	C44H77N13O9	931.5968	NA	PeJP	NA	NA
+PJ086821	AAKKKKKM 	C41H81N13O9S	931.6001	NA	PeJP	NA	NA
+PJ086822	TTTLLKKK 	C42H81N11O12	931.6067	NA	PeJP	NA	NA
+PJ086823	VVKKFRR 	C43H77N15O8	931.608	NA	PeJP	NA	NA
+PJ086824	GLLLLLKY 	C47H81N9O10	931.6107	NA	PeJP	NA	NA
+PJ086825	ATTKKKKK 	C41H81N13O11	931.6179	NA	PeJP	NA	NA
+PJ086826	GVLLKKKF 	C46H81N11O9	931.6219	NA	PeJP	NA	NA
+PJ086827	LLKKKFR 	C45H81N13O8	931.6331	NA	PeJP	NA	NA
+5420	tryptophan-modified human lactoferricin (LFH W8)	TKCFQWQWNMRKVRG	931.97565	MH2+	Inhouse_peptide	NA	peptide
+HMDB01472	Guanosine pentaphosphate adenosine	C20H29N10O23P5	932.00952	http://www.hmdb.ca/metabolites/HMDB01472	HMDB	NA	NA
+HMDB01472	Guanosine pentaphosphate adenosine	C20H29N10O23P5	932.00952	HMDB01472	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01472	Guanosine pentaphosphate adenosine	C20H29N10O23P5	932.009521	NA	HMDB2010	NA	NA
+PJ086828	CCCCCMMH 	C31H52N10O9S7	932.1964	NA	PeJP	NA	NA
+PJ086829	CCCDDDEM 	C31H48N8O17S4	932.2021	NA	PeJP	NA	NA
+PJ086830	GCCCCCNNN 	C29H48N12O13S5	932.2068	NA	PeJP	NA	NA
+MJ098055	Ellagic acid; 3,8-Di-Me ether, 2-O-[?-D-glucuronopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?6)-?-D-glucopyranoside] 	C38H44O27	932.206996	NA	MeJP	NA	NA
+PJ086831	CCCCCDHF 	C34H48N10O11S5	932.2108	NA	PeJP	NA	NA
+PJ086832	GSCCCCNDE 	C30H48N10O16S4	932.2133	NA	PeJP	NA	NA
+PJ086833	GPCCCCCNM 	C31H52N10O11S6	932.2142	NA	PeJP	NA	NA
+PJ086834	SCCCCNDW 	C34H48N10O13S4	932.2286	NA	PeJP	NA	NA
+MJ098056	Rubroside H; 2'-O-[5-Deoxy-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] 	C41H51Cl3N2O16	932.230416	NA	MeJP	NA	NA
+PJ086835	SSSCCCNDD 	C30H48N10O18S3	932.2311	NA	PeJP	NA	NA
+PJ086836	CCCNNDMM 	C31H52N10O13S5	932.2319	NA	PeJP	NA	NA
+PJ086837	PCCCDDDY 	C35H48N8O16S3	932.2351	NA	PeJP	NA	NA
+PJ086838	SCCDDEMM 	C32H52N8O16S4	932.2385	NA	PeJP	NA	NA
+PJ086839	PCCCDMMM 	C33H56N8O11S6	932.2393	NA	PeJP	NA	NA
+PJ086840	CCCCCNER 	C30H52N12O12S5	932.2432	NA	PeJP	NA	NA
+PJ086841	CCCNNDDF 	C34H48N10O15S3	932.2463	NA	PeJP	NA	NA
+PJ086842	GCCCCQMW 	C35H52N10O10S5	932.2472	NA	PeJP	NA	NA
+PJ086843	GSSCCCNEM 	C31H52N10O15S4	932.2497	NA	PeJP	NA	NA
+PJ086844	APCCCCCCK 	C32H56N10O10S6	932.2506	NA	PeJP	NA	NA
+PJ086845	CCCCNNHH 	C32H48N14O11S4	932.251	NA	PeJP	NA	NA
+PJ086846	GCDDDDMY 	C35H48N8O18S2	932.2528	NA	PeJP	NA	NA
+PJ086847	PCCCDDMF 	C36H52N8O13S4	932.2537	NA	PeJP	NA	NA
+PJ086848	GCDDMMMM 	C33H56N8O13S5	932.2571	NA	PeJP	NA	NA
+PJ086849	SCCCDEHH 	C33H48N12O14S3	932.2576	NA	PeJP	NA	NA
+PJ086850	GCCCCCRW 	C34H52N12O9S5	932.2584	NA	PeJP	NA	NA
+FL3FAADS0047	Isovitexin 2''-O-(6'''-(E)-feruloyl)glucoside 4'-O-glucoside	C43H48O23	932.25863	372113-57-0	knapsack	NA	NA
+FL5FAAGL0101	Kaempferol 3-neohesperidoside-7-(2''-ferulylglucoside)	C43H48O23	932.25863	173268-24-1	knapsack	NA	NA
+FL5FAAGS0126	Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinobioside];3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C43H48O23	932.25863	260388-56-5	knapsack	NA	NA
+MJ098057	Astragalin; 7-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] 	C43H48O23	932.258637	NA	MeJP	NA	NA
+MJ098058	Hyperin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(?2)-?-L-rhamnopyranosyl] 	C43H48O23	932.258637	NA	MeJP	NA	NA
+MJ098059	Hyperin; 2''-O-?-L-Rhamnopyranosyl, 6''-O-[(4-hydroxy-3-methoxy-E-cinnamoyl)-(?3)-?-L-rhamnopyranosyl] 	C43H48O23	932.258637	NA	MeJP	NA	NA
+MJ098060	Populnin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-D-glucopyranoside], 2''-O-(4-hydroxy-3-methoxycinnamoyl) 	C43H48O23	932.258637	NA	MeJP	NA	NA
+MJ098061	Trifolin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl], 6''-O-?-L-rhamnopyranosyl 	C43H48O23	932.258637	NA	MeJP	NA	NA
+MJ098062	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C43H49O23(+)	932.258637	NA	MeJP	NA	NA
+MJ098063	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(4-Hydroxycinnamoylsambubioside), 5-O-?-D-glucopyranoside 	C43H49O23(+)	932.258637	NA	MeJP	NA	NA
+MJ098064	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(??)-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside]], 5-O-?-D-glucopyranoside 	C43H49O23(+)	932.258637	NA	MeJP	NA	NA
+MJ098065	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxy-3-methoxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside 	C43H49O23(+)	932.258637	NA	MeJP	NA	NA
+PJ086851	GSSCCCCDR 	C30H52N12O14S4	932.2609	NA	PeJP	NA	NA
+PJ086852	SDDDDDDH 	C33H44N10O22	932.2632	NA	PeJP	NA	NA
+PJ086853	SCCNNDDY 	C34H48N10O17S2	932.2641	NA	PeJP	NA	NA
+PJ086854	SSCCCNMW 	C35H52N10O12S4	932.2649	NA	PeJP	NA	NA
+PJ086855	GGGAPCCCCY 	C35H52N10O12S4	932.265	NA	PeJP	NA	NA
+PJ086856	SSSSCCNDM 	C31H52N10O17S3	932.2674	NA	PeJP	NA	NA
+PJ086857	CCDDEYW 	C39H48N8O15S2	932.2681	NA	PeJP	NA	NA
+PJ086858	SCCNNMMM 	C32H56N10O12S5	932.2683	NA	PeJP	NA	NA
+PJ086859	SSCDDDEY 	C35H48N8O20S	932.2706	NA	PeJP	NA	NA
+PJ086860	SPCCDDMY 	C36H52N8O15S3	932.2715	NA	PeJP	NA	NA
+PJ086861	CCEMMMW 	C37H56N8O10S5	932.2723	NA	PeJP	NA	NA
+PJ086862	SSCDEMMM 	C33H56N8O15S4	932.2748	NA	PeJP	NA	NA
+PJ086863	SPCCMMMM 	C34H60N8O10S6	932.2757	NA	PeJP	NA	NA
+PJ086864	GCCDMMHH 	C34H52N12O11S4	932.2762	NA	PeJP	NA	NA
+PJ086865	SCCCCQMR 	C31H56N12O11S5	932.2795	NA	PeJP	NA	NA
+PJ086866	GGTCCCCMR 	C31H56N12O11S5	932.2796	NA	PeJP	NA	NA
+MJ098066	1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether, 1-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C40H52O25	932.279767	NA	MeJP	NA	NA
+PJ086867	ACCCCHFF 	C39H52N10O9S4	932.2802	NA	PeJP	NA	NA
+PJ086868	GDDDDEMH 	C34H48N10O19S	932.2818	NA	PeJP	NA	NA
+PJ086869	GSSSTCCCW 	C35H52N10O14S3	932.2827	NA	PeJP	NA	NA
+PJ086870	GCCCCKMW 	C36H56N10O9S5	932.2836	NA	PeJP	NA	NA
+PJ086871	GSSSSSSCCE 	C31H52N10O19S2	932.2852	NA	PeJP	NA	NA
+PJ086872	GCDDDDFF 	C39H48N8O17S	932.2859	NA	PeJP	NA	NA
+PJ086873	GSSSCCQMM 	C32H56N10O14S4	932.2861	NA	PeJP	NA	NA
+PJ086874	CCNNNNDH 	C32H48N14O15S2	932.2865	NA	PeJP	NA	NA
+PJ086875	GGGGCCNNDH 	C32H48N14O15S2	932.2866	NA	PeJP	NA	NA
+PJ086876	CCDEMFW 	C40H52N8O12S3	932.2867	NA	PeJP	NA	NA
+PJ086877	GSDDDMMY 	C36H52N8O17S2	932.2892	NA	PeJP	NA	NA
+PJ086878	GPCCEMMY 	C37H56N8O12S4	932.2901	NA	PeJP	NA	NA
+PJ086879	GCCDDHHF 	C37H48N12O13S2	932.2906	NA	PeJP	NA	NA
+PJ086880	SCCCCCRR 	C30H56N14O10S5	932.2908	NA	PeJP	NA	NA
+PJ086881	SCNNDDEH 	C33H48N12O18S	932.2931	NA	PeJP	NA	NA
+PJ086882	GSDMMMMM 	C34H60N8O12S5	932.2935	NA	PeJP	NA	NA
+PJ086883	GCCCNDRY 	C34H52N12O13S3	932.2939	NA	PeJP	NA	NA
+PJ086884	GGGGPCCDMH 	C34H52N12O13S3	932.294	NA	PeJP	NA	NA
+PJ086885	GCCCHHHH 	C35H48N16O9S3	932.2953	NA	PeJP	NA	NA
+PJ086886	DDDDMHW 	C38H48N10O16S	932.2971	NA	PeJP	NA	NA
+PJ086887	GSSSCCCMR 	C31H56N12O13S4	932.2973	NA	PeJP	NA	NA
+PJ086888	CCNNMYW 	C39H52N10O11S3	932.2979	NA	PeJP	NA	NA
+PJ086889	GGCCNMYW 	C39H52N10O11S3	932.298	NA	PeJP	NA	NA
+PJ086890	SSDDDEEH 	C34H48N10O21	932.2996	NA	PeJP	NA	NA
+PJ086891	SSSSSSCCW 	C35H52N10O16S2	932.3004	NA	PeJP	NA	NA
+PJ086892	GGSSCNDMY 	C35H52N10O16S2	932.3005	NA	PeJP	NA	NA
+PJ086893	STCCCCKW 	C36H56N10O11S4	932.3013	NA	PeJP	NA	NA
+PJ086894	SSSSSSSSCD 	C31H52N10O21S	932.3029	NA	PeJP	NA	NA
+PJ086895	NDDDEYY 	C39H48N8O19	932.3036	NA	PeJP	NA	NA
+PJ086896	SSSSSCNMM 	C32H56N10O16S3	932.3038	NA	PeJP	NA	NA
+PJ086897	SCDEMYW 	C40H52N8O14S2	932.3045	NA	PeJP	NA	NA
+PJ086898	SCCCQKMM 	C33H60N10O11S5	932.3047	NA	PeJP	NA	NA
+PJ086899	PCCMMYW 	C41H56N8O9S4	932.3053	NA	PeJP	NA	NA
+PJ086900	SSSDDEMY 	C36H52N8O19S	932.307	NA	PeJP	NA	NA
+PJ086901	NDEMMMY 	C37H56N8O14S3	932.3078	NA	PeJP	NA	NA
+PJ086902	GGDEMMMY 	C37H56N8O14S3	932.3079	NA	PeJP	NA	NA
+PJ086903	GSCNDDHW 	C37H48N12O15S	932.3083	NA	PeJP	NA	NA
+PJ086904	TCMMMMW 	C38H60N8O9S5	932.3087	NA	PeJP	NA	NA
+PJ086905	GPCCCQHW 	C38H52N12O10S3	932.3092	NA	PeJP	NA	NA
+PJ086906	GSSSNDDDH 	C33H48N12O20	932.3108	NA	PeJP	NA	NA
+PJ086907	SSSEMMMM 	C34H60N8O14S4	932.3112	NA	PeJP	NA	NA
+PJ086908	GNNDDMMH 	C34H52N12O15S2	932.3117	NA	PeJP	NA	NA
+PJ086909	QMMMMMM 	C35H64N8O9S6	932.3121	NA	PeJP	NA	NA
+PJ086910	GCCCNMFR 	C35H56N12O10S4	932.3126	NA	PeJP	NA	NA
+PJ086911	GPNDDDDW 	C38H48N10O18	932.3149	NA	PeJP	NA	NA
+PJ086912	SSSSTCCCR 	C31H56N12O15S3	932.3151	NA	PeJP	NA	NA
+PJ086913	GSSCCQYW 	C39H52N10O13S2	932.3157	NA	PeJP	NA	NA
+PJ086914	SCCCCKMR 	C32H60N12O10S5	932.3159	NA	PeJP	NA	NA
+PJ086915	GSSSSCNEY 	C35H52N10O18S	932.3182	NA	PeJP	NA	NA
+PJ086916	GDDDYYW 	C43H48N8O16	932.3189	NA	PeJP	NA	NA
+PJ086917	CDDMMRY 	C36H56N10O13S3	932.3191	NA	PeJP	NA	NA
+PJ086918	PCCDFYW 	C44H52N8O11S2	932.3197	NA	PeJP	NA	NA
+PJ086919	PPCCCHHH 	C37H52N14O9S3	932.3204	NA	PeJP	NA	NA
+PJ086920	GSSSSSSTCM 	C32H56N10O18S2	932.3216	NA	PeJP	NA	NA
+PJ086921	NNNNNNDD 	C32H48N14O19	932.322	NA	PeJP	NA	NA
+PJ086922	GGNNNNNDD 	C32H48N14O19	932.3221	NA	PeJP	NA	NA
+PJ086923	GSPCDEYY 	C40H52N8O16S	932.3222	NA	PeJP	NA	NA
+PJ086924	ASSTCCCKM 	C33H60N10O13S4	932.3224	NA	PeJP	NA	NA
+PJ086925	GSSSCCKMM 	C33H60N10O13S4	932.3225	NA	PeJP	NA	NA
+PJ086926	GCCNDEHR 	C33H52N14O14S2	932.3229	NA	PeJP	NA	NA
+PJ086927	GGGGGGGGSCMH 	C33H52N14O14S2	932.323	NA	PeJP	NA	NA
+PJ086928	GDMMMYW 	C41H56N8O11S3	932.3231	NA	PeJP	NA	NA
+PJ086929	CMMMMMR 	C34H64N10O8S6	932.3233	NA	PeJP	NA	NA
+PJ086930	APDDEEEE 	C36H52N8O21	932.3247	NA	PeJP	NA	NA
+PJ086931	GPDEEEEE 	C36H52N8O21	932.3248	NA	PeJP	NA	NA
+PJ086932	GSSEEMMY 	C37H56N8O16S2	932.3256	NA	PeJP	NA	NA
+PJ086933	GNNDDDHF 	C37H48N12O17	932.3261	NA	PeJP	NA	NA
+PJ086934	GPTCMMMY 	C38H60N8O11S4	932.3265	NA	PeJP	NA	NA
+PJ086935	CNNEMHW 	C38H52N12O12S2	932.3269	NA	PeJP	NA	NA
+PJ086936	GGCNEMHW 	C38H52N12O12S2	932.327	NA	PeJP	NA	NA
+PJ086937	SSNNDEMH 	C34H52N12O17S	932.3294	NA	PeJP	NA	NA
+PJ086938	GGSSNDEMH 	C34H52N12O17S	932.3295	NA	PeJP	NA	NA
+PJ086939	GTTMMMMM 	C35H64N8O11S5	932.3298	NA	PeJP	NA	NA
+PJ086940	GSCCNMRY 	C35H56N12O12S3	932.3303	NA	PeJP	NA	NA
+PJ086941	GCNNDHHH 	C35H48N16O13S	932.3308	NA	PeJP	NA	NA
+PJ086942	CCNNFFW 	C43H52N10O10S2	932.331	NA	PeJP	NA	NA
+PJ086943	SSSSCNYW 	C39H52N10O15S	932.3335	NA	PeJP	NA	NA
+PJ086944	CCCQKYW 	C40H56N10O10S3	932.3343	NA	PeJP	NA	NA
+PJ086945	GAPPPCCCW 	C40H56N10O10S3	932.3344	NA	PeJP	NA	NA
+PJ086946	SSSSSSNDY 	C35H52N10O20	932.336	NA	PeJP	NA	NA
+PJ086947	SSSNNMMY 	C36H56N10O15S2	932.3368	NA	PeJP	NA	NA
+PJ086948	GAEEEMMH 	C36H56N10O15S2	932.3369	NA	PeJP	NA	NA
+PJ086949	GSDDEHHH 	C36H48N14O16	932.3373	NA	PeJP	NA	NA
+PJ086950	SPCDYYW 	C44H52N8O13S	932.3375	NA	PeJP	NA	NA
+PJ086951	CDMMMFR 	C37H60N10O10S4	932.3377	NA	PeJP	NA	NA
+PJ086952	CCNDHRW 	C37H52N14O11S2	932.3382	NA	PeJP	NA	NA
+PJ086953	PCCMFFW 	C45H56N8O8S3	932.3384	NA	PeJP	NA	NA
+PJ086954	SSSSSSSSSM 	C32H56N10O20S	932.3393	NA	PeJP	NA	NA
+PJ086955	PDEEEEW 	C40H52N8O18	932.34	NA	PeJP	NA	NA
+PJ086956	SSSSTCCKM 	C33H60N10O15S3	932.3402	NA	PeJP	NA	NA
+PJ086957	SSCNDDHR 	C33H52N14O16S	932.3407	NA	PeJP	NA	NA
+PJ086958	SSEMMYW 	C41H56N8O13S2	932.3409	NA	PeJP	NA	NA
+PJ086959	SCCCKKMM 	C34H64N10O10S5	932.3411	NA	PeJP	NA	NA
+PJ086960	SPCCCQHR 	C34H56N14O11S3	932.3416	NA	PeJP	NA	NA
+PJ086961	GMMMMFW 	C42H60N8O8S4	932.3417	NA	PeJP	NA	NA
+PJ086962	GCNMHWW 	C42H52N12O9S2	932.3422	NA	PeJP	NA	NA
+PJ086963	SSSTEEMY 	C37H56N8O18S	932.3434	NA	PeJP	NA	NA
+PJ086964	TQEMMMY 	C38H60N8O13S3	932.3442	NA	PeJP	NA	NA
+PJ086965	GSSNDMHW 	C38H52N12O14S	932.3447	NA	PeJP	NA	NA
+PJ086966	MMYYYY 	C46H56N6O11S2	932.3449	NA	PeJP	NA	NA
+PJ086967	GPCCCKHW 	C39H56N12O9S3	932.3456	NA	PeJP	NA	NA
+PJ086968	SPNDDDDR 	C34H52N12O19	932.3472	NA	PeJP	NA	NA
+PJ086969	STTTMMMM 	C35H64N8O13S4	932.3476	NA	PeJP	NA	NA
+PJ086970	SSSCCQRY 	C35H56N12O14S2	932.3481	NA	PeJP	NA	NA
+PJ086971	KMMMMMM 	C36H68N8O8S6	932.3485	NA	PeJP	NA	NA
+PJ086972	GCNQYYW 	C43H52N10O12S	932.3487	NA	PeJP	NA	NA
+PJ086973	ACCCCKFR 	C36H60N12O9S4	932.349	NA	PeJP	NA	NA
+PJ086974	GSPNDEEW 	C39H52N10O17	932.3512	NA	PeJP	NA	NA
+PJ086975	GGGGPPDDDF 	C39H52N10O17	932.3513	NA	PeJP	NA	NA
+PJ086976	GSSCCKYW 	C40H56N10O12S2	932.3521	NA	PeJP	NA	NA
+PJ086977	SDDHHHW 	C40H48N14O13	932.3526	NA	PeJP	NA	NA
+PJ086978	CEFYWW 	C48H52N8O10S	932.3527	NA	PeJP	NA	NA
+PJ086979	GSSSSSQMY 	C36H56N10O17S	932.3546	NA	PeJP	NA	NA
+PJ086980	GSEEYYW 	C44H52N8O15	932.3552	NA	PeJP	NA	NA
+PJ086981	GGPDDFYY 	C44H52N8O15	932.3553	NA	PeJP	NA	NA
+PJ086982	SDMMMRY 	C37H60N10O12S3	932.3555	NA	PeJP	NA	NA
+PJ086983	GCNNNQHF 	C37H52N14O13S	932.3559	NA	PeJP	NA	NA
+PJ086984	GGGGGCNQHF 	C37H52N14O13S	932.356	NA	PeJP	NA	NA
+PJ086985	APCMYYW 	C45H56N8O10S2	932.3561	NA	PeJP	NA	NA
+PJ086986	CCMHHFR 	C38H56N14O8S3	932.3568	NA	PeJP	NA	NA
+PJ086987	GNNNDDER 	C33H52N14O18	932.3584	NA	PeJP	NA	NA
+PJ086988	GGGNNDDER 	C33H52N14O18	932.3585	NA	PeJP	NA	NA
+PJ086989	AQEEMYY 	C41H56N8O15S	932.3586	NA	PeJP	NA	NA
+PJ086990	DFYYYY 	C49H52N6O13	932.3593	NA	PeJP	NA	NA
+PJ086991	ATMMMYW 	C42H60N8O10S3	932.3595	NA	PeJP	NA	NA
+PJ086992	SSCQHWW 	C42H52N12O11S	932.36	NA	PeJP	NA	NA
+PJ086993	APTEEEEE 	C37H56N8O20	932.3611	NA	PeJP	NA	NA
+PJ086994	GTTTEMMY 	C38H60N8O15S2	932.362	NA	PeJP	NA	NA
+PJ086995	NNNQEEW 	C38H52N12O16	932.3624	NA	PeJP	NA	NA
+PJ086996	SSSSNEHW 	C38H52N12O16	932.3625	NA	PeJP	NA	NA
+PJ086997	VQMMMMY 	C39H64N8O10S4	932.3629	NA	PeJP	NA	NA
+PJ086998	GPPCCDRW 	C39H56N12O11S2	932.3633	NA	PeJP	NA	NA
+PJ086999	GGGGAPCMHF 	C39H56N12O11S2	932.3634	NA	PeJP	NA	NA
+PJ087000	GSSSSSCRY 	C35H56N12O16S	932.3658	NA	PeJP	NA	NA
+PJ087001	GGGPDDEMR 	C35H56N12O16S	932.3659	NA	PeJP	NA	NA
+PJ087002	SPNDEWW 	C43H52N10O14	932.3665	NA	PeJP	NA	NA
+PJ087003	GTCCCKRY 	C36H60N12O11S3	932.3667	NA	PeJP	NA	NA
+PJ087004	CDEHHHR 	C36H52N16O12S	932.3672	NA	PeJP	NA	NA
+PJ087005	PPCNMWW 	C44H56N10O9S2	932.3674	NA	PeJP	NA	NA
+PJ087006	SSPPCQEW 	C40H56N10O14S	932.3698	NA	PeJP	NA	NA
+PJ087007	TTEEMHW 	C40H56N10O14S	932.3699	NA	PeJP	NA	NA
+PJ087008	SEYYWW 	C48H52N8O12	932.3705	NA	PeJP	NA	NA
+PJ087009	GSCCDHRR 	C33H56N16O12S2	932.3706	NA	PeJP	NA	NA
+PJ087010	CCCKKYW 	C41H60N10O9S3	932.3707	NA	PeJP	NA	NA
+PJ087011	GEMHHHW 	C41H52N14O10S	932.3712	NA	PeJP	NA	NA
+PJ087012	SSSSSSTQY 	C36H56N10O19	932.3723	NA	PeJP	NA	NA
+PJ087013	STTTEEEH 	C36H56N10O19	932.3724	NA	PeJP	NA	NA
+PJ087014	SSSCQKMY 	C37H60N10O14S2	932.3732	NA	PeJP	NA	NA
+PJ087015	NNNDDRW 	C37H52N14O15	932.3737	NA	PeJP	NA	NA
+PJ087016	AAEMYYW 	C45H56N8O12S	932.3739	NA	PeJP	NA	NA
+PJ087017	AMMMMRY 	C38H64N10O9S4	932.3741	NA	PeJP	NA	NA
+PJ087018	SCNMHRW 	C38H56N14O10S2	932.3746	NA	PeJP	NA	NA
+PJ087019	NDHHHHH 	C38H48N18O11	932.375	NA	PeJP	NA	NA
+PJ087020	GGDHHHHH 	C38H48N18O11	932.3751	NA	PeJP	NA	NA
+PJ087021	GCHHFFW 	C46H52N12O8S	932.3752	NA	PeJP	NA	NA
+PJ087022	SDKEEYY 	C41H56N8O17	932.3764	NA	PeJP	NA	NA
+PJ087023	GPCDDDRR 	C34H56N14O15S	932.3771	NA	PeJP	NA	NA
+PJ087024	TTTMMYW 	C42H60N8O12S2	932.3772	NA	PeJP	NA	NA
+PJ087025	GGVEMMFY 	C42H60N8O12S2	932.3773	NA	PeJP	NA	NA
+PJ087026	GSSSSHWW 	C42H52N12O13	932.3777	NA	PeJP	NA	NA
+PJ087027	MFFYYY 	C50H56N6O10S	932.3779	NA	PeJP	NA	NA
+PJ087028	GGGGMMMHR 	C35H60N14O10S3	932.378	NA	PeJP	NA	NA
+PJ087029	ACCKHWW 	C43H56N12O8S2	932.3786	NA	PeJP	NA	NA
+PJ087030	STTTTEMY 	C38H60N8O17S	932.3797	NA	PeJP	NA	NA
+PJ087031	GPLEEEEM 	C38H60N8O17S	932.3798	NA	PeJP	NA	NA
+PJ087032	TKEMMMY 	C39H64N8O12S3	932.3806	NA	PeJP	NA	NA
+PJ087033	PNDDMRW 	C39H56N12O13S	932.3811	NA	PeJP	NA	NA
+PJ087034	GSPDWWW 	C47H52N10O11	932.3817	NA	PeJP	NA	NA
+PJ087035	CKMMHHF 	C40H60N12O8S3	932.382	NA	PeJP	NA	NA
+PJ087036	NQEEEER 	C35H56N12O18	932.3836	NA	PeJP	NA	NA
+PJ087037	SSSCCKRY 	C36H60N12O13S2	932.3844	NA	PeJP	NA	NA
+PJ087038	TEEMMHR 	C36H60N12O13S2	932.3845	NA	PeJP	NA	NA
+PJ087039	SSSNQHHH 	C36H52N16O14	932.3849	NA	PeJP	NA	NA
+PJ087040	GGGGGGSPNHH 	C36H52N16O14	932.385	NA	PeJP	NA	NA
+PJ087041	GPQEMWW 	C44H56N10O11S	932.3851	NA	PeJP	NA	NA
+PJ087042	PMMMMHR 	C37H64N12O8S4	932.3853	NA	PeJP	NA	NA
+PJ087043	MHHHWW 	C45H52N14O7S	932.3865	NA	PeJP	NA	NA
+PJ087044	VNQEEEW 	C40H56N10O16	932.3876	NA	PeJP	NA	NA
+PJ087045	GNNNNNMR 	C33H56N16O14S	932.3883	NA	PeJP	NA	NA
+PJ087046	SLEMMHW 	C41H60N10O11S2	932.3885	NA	PeJP	NA	NA
+PJ087047	STEHHHW 	C41H52N14O12	932.389	NA	PeJP	NA	NA
+PJ087048	CLYYWW 	C49H56N8O9S	932.3891	NA	PeJP	NA	NA
+PJ087049	CCQMHRR 	C34H60N16O9S3	932.3892	NA	PeJP	NA	NA
+MJ098067	Cephabacin M; Cephabacin M3 	C37H60N10O16S	932.390946	NA	MeJP	NA	NA
+PJ087050	GSSSSSKMY 	C37H60N10O16S	932.391	NA	PeJP	NA	NA
+PJ087051	ATTEYYW 	C45H56N8O14	932.3916	NA	PeJP	NA	NA
+PJ087052	TTMMMRY 	C38H64N10O11S3	932.3918	NA	PeJP	NA	NA
+PJ087053	GTCCKKMY 	C38H64N10O11S3	932.3919	NA	PeJP	NA	NA
+PJ087054	GSSTCHRW 	C38H56N14O12S	932.3923	NA	PeJP	NA	NA
+PJ087055	GGGGGGGCKHF 	C38H56N14O12S	932.3924	NA	PeJP	NA	NA
+PJ087056	GVMMFYW 	C46H60N8O9S2	932.3925	NA	PeJP	NA	NA
+PJ087057	NNQWWW 	C46H52N12O10	932.393	NA	PeJP	NA	NA
+PJ087058	NDDEERR 	C34H56N14O17	932.3948	NA	PeJP	NA	NA
+PJ087059	GGGGGGASEER 	C34H56N14O17	932.3949	NA	PeJP	NA	NA
+PJ087060	PLEEEMW 	C42H60N8O14S	932.395	NA	PeJP	NA	NA
+PJ087061	VYYYYY 	C50H56N6O12	932.3956	NA	PeJP	NA	NA
+PJ087062	SPPCCDRR 	C35H60N14O12S2	932.3957	NA	PeJP	NA	NA
+PJ087063	VQMMMFF 	C43H64N8O9S3	932.3959	NA	PeJP	NA	NA
+PJ087064	APCDRWW 	C43H56N12O10S	932.3963	NA	PeJP	NA	NA
+PJ087065	GPCERWW 	C43H56N12O10S	932.3964	NA	PeJP	NA	NA
+PJ087066	GVLEEEEE 	C38H60N8O19	932.3975	NA	PeJP	NA	NA
+PJ087067	SSTTLMMY 	C39H64N8O14S2	932.3984	NA	PeJP	NA	NA
+PJ087068	VNDDERW 	C39H56N12O15	932.3988	NA	PeJP	NA	NA
+PJ087069	GQEEERW 	C39H56N12O15	932.3989	NA	PeJP	NA	NA
+PJ087070	VKMMMMY 	C40H68N8O9S4	932.3992	NA	PeJP	NA	NA
+PJ087071	PPPVMMMM 	C40H68N8O9S4	932.3993	NA	PeJP	NA	NA
+PJ087072	GSPPCMRW 	C40H60N12O10S2	932.3997	NA	PeJP	NA	NA
+PJ087073	NNQHHHF 	C40H52N16O11	932.4002	NA	PeJP	NA	NA
+PJ087074	PQMWWW 	C48H56N10O8S	932.4004	NA	PeJP	NA	NA
+PJ087075	GSPQEEMR 	C36H60N12O15S	932.4022	NA	PeJP	NA	NA
+PJ087076	GGGGGGGAALEM 	C36H60N12O15S	932.4023	NA	PeJP	NA	NA
+PJ087077	GVQEEWW 	C44H56N10O13	932.4029	NA	PeJP	NA	NA
+PJ087078	VEMMMHR 	C37H64N12O10S3	932.4031	NA	PeJP	NA	NA
+PJ087079	SEMHHHR 	C37H56N16O11S	932.4036	NA	PeJP	NA	NA
+PJ087080	MMFRYW 	C45H60N10O8S2	932.4037	NA	PeJP	NA	NA
+PJ087081	GPNHHWW 	C45H52N14O9	932.4042	NA	PeJP	NA	NA
+PJ087082	SSNNNNQR 	C33H56N16O16	932.406	NA	PeJP	NA	NA
+PJ087083	GSNNDDRR 	C33H56N16O16	932.4061	NA	PeJP	NA	NA
+PJ087084	PNKEEMW 	C41H60N10O13S	932.4062	NA	PeJP	NA	NA
+PJ087085	GGPKEEMW 	C41H60N10O13S	932.4063	NA	PeJP	NA	NA
+PJ087086	AAPYYYW 	C49H56N8O11	932.4069	NA	PeJP	NA	NA
+PJ087087	GGGGAPCCRR 	C34H60N16O11S2	932.407	NA	PeJP	NA	NA
+PJ087088	VVMMMHW 	C42H64N10O8S3	932.4071	NA	PeJP	NA	NA
+PJ087089	GCQHFRW 	C42H56N14O9S	932.4076	NA	PeJP	NA	NA
+PJ087090	SSSSSSTKY 	C37H60N10O18	932.4087	NA	PeJP	NA	NA
+PJ087091	AAQKEEEE 	C37H60N10O18	932.4088	NA	PeJP	NA	NA
+PJ087092	SSSCKKMY 	C38H64N10O13S2	932.4096	NA	PeJP	NA	NA
+PJ087093	GDDERRW 	C38H56N14O14	932.4101	NA	PeJP	NA	NA
+PJ087094	ASLMYYW 	C46H60N8O11S	932.4102	NA	PeJP	NA	NA
+PJ087095	GTLMYYW 	C46H60N8O11S	932.4103	NA	PeJP	NA	NA
+PJ087096	FFFFYY 	C54H56N6O9	932.4109	NA	PeJP	NA	NA
+PJ087097	TCCKHRW 	C39H60N14O9S2	932.411	NA	PeJP	NA	NA
+PJ087098	TQHHHHH 	C39H52N18O10	932.4114	NA	PeJP	NA	NA
+PJ087099	PCRWWW 	C47H56N12O7S	932.4116	NA	PeJP	NA	NA
+PJ087100	SPTTTTYY 	C42H60N8O16	932.4127	NA	PeJP	NA	NA
+PJ087101	VLEEEEW 	C42H60N8O16	932.4128	NA	PeJP	NA	NA
+PJ087102	SSSTQMHR 	C35H60N14O14S	932.4134	NA	PeJP	NA	NA
+PJ087103	GSPDDMRR 	C35H60N14O14S	932.4135	NA	PeJP	NA	NA
+PJ087104	PTKMMYY 	C43H64N8O11S2	932.4136	NA	PeJP	NA	NA
+PJ087105	QEERWW 	C43H56N12O12	932.4141	NA	PeJP	NA	NA
+PJ087106	APPCCMRR 	C36H64N14O9S3	932.4143	NA	PeJP	NA	NA
+PJ087107	SPVLEEEM 	C39H64N8O16S	932.4161	NA	PeJP	NA	NA
+PJ087108	PPVVEMMM 	C40H68N8O11S3	932.417	NA	PeJP	NA	NA
+PJ087109	SPQEMRW 	C40H60N12O12S	932.4175	NA	PeJP	NA	NA
+PJ087110	VQEWWW 	C48H56N10O10	932.4181	NA	PeJP	NA	NA
+PJ087111	PCHHHFR 	C41H56N16O8S	932.4188	NA	PeJP	NA	NA
+PJ087112	NKEEEER 	C36H60N12O17	932.42	NA	PeJP	NA	NA
+PJ087113	SSPPQMMR 	C37H64N12O12S2	932.4208	NA	PeJP	NA	NA
+PJ087114	AAPQEMMR 	C37H64N12O12S2	932.4209	NA	PeJP	NA	NA
+PJ087115	GSPNEHHR 	C37H56N16O13	932.4213	NA	PeJP	NA	NA
+PJ087116	GGGGGGGGALHH 	C37H56N16O13	932.4214	NA	PeJP	NA	NA
+PJ087117	GPKEMWW 	C45H60N10O10S	932.4215	NA	PeJP	NA	NA
+PJ087118	TFFFWW 	C53H56N8O8	932.4221	NA	PeJP	NA	NA
+PJ087119	CLMHHHR 	C38H60N16O8S2	932.4222	NA	PeJP	NA	NA
+PJ087120	VNKEEEW 	C41H60N10O15	932.424	NA	PeJP	NA	NA
+PJ087121	SSSTCHRR 	C34H60N16O13S	932.4247	NA	PeJP	NA	NA
+PJ087122	GSPPKMMW 	C42H64N10O10S2	932.4249	NA	PeJP	NA	NA
+PJ087123	DDRRWW 	C42H56N14O11	932.4253	NA	PeJP	NA	NA
+PJ087124	GGGGGTRWW 	C42H56N14O11	932.4254	NA	PeJP	NA	NA
+PJ087125	GVMFFFW 	C50H60N8O8S	932.4255	NA	PeJP	NA	NA
+PJ087126	CCKMHRR 	C35H64N16O8S3	932.4256	NA	PeJP	NA	NA
+PJ087127	TTTTLEMH 	C38H64N10O15S	932.4274	NA	PeJP	NA	NA
+PJ087128	STTLYYW 	C46H60N8O13	932.428	NA	PeJP	NA	NA
+PJ087129	GTLLMMMH 	C39H68N10O10S3	932.4282	NA	PeJP	NA	NA
+PJ087130	GAAPPKMMM 	C39H68N10O10S3	932.4283	NA	PeJP	NA	NA
+PJ087131	SPCERRW 	C39H60N14O11S	932.4287	NA	PeJP	NA	NA
+PJ087132	AERWWW 	C47H56N12O9	932.4294	NA	PeJP	NA	NA
+PJ087133	SQEEERR 	C35H60N14O16	932.4312	NA	PeJP	NA	NA
+PJ087134	SLKEMYY 	C43H64N8O13S	932.4314	NA	PeJP	NA	NA
+PJ087135	PNEMMRR 	C36H64N14O11S2	932.4321	NA	PeJP	NA	NA
+PJ087136	VKMMMFF 	C44H68N8O8S3	932.4323	NA	PeJP	NA	NA
+PJ087137	NNQQHHR 	C36H56N18O12	932.4325	NA	PeJP	NA	NA
+PJ087138	GGNQQHHR 	C36H56N18O12	932.4326	NA	PeJP	NA	NA
+PJ087139	GPTMRWW 	C44H60N12O9S	932.4327	NA	PeJP	NA	NA
+PJ087140	GLWWWW 	C52H56N10O7	932.4334	NA	PeJP	NA	NA
+PJ087141	ATLLEEEE 	C39H64N8O18	932.4339	NA	PeJP	NA	NA
+PJ087142	APLLEEMM 	C40H68N8O13S2	932.4348	NA	PeJP	NA	NA
+PJ087143	GKEEERW 	C40H60N12O14	932.4352	NA	PeJP	NA	NA
+PJ087144	GGGGGSVKEW 	C40H60N12O14	932.4353	NA	PeJP	NA	NA
+PJ087145	CNNDRRR 	C33H60N18O12S	932.4359	NA	PeJP	NA	NA
+PJ087146	PVNMMRW 	C41H64N12O9S2	932.4361	NA	PeJP	NA	NA
+PJ087147	SPNHHRW 	C41H56N16O10	932.4366	NA	PeJP	NA	NA
+PJ087148	PKMWWW 	C49H60N10O7S	932.4368	NA	PeJP	NA	NA
+PJ087149	GSPKEEMR 	C37H64N12O14S	932.4386	NA	PeJP	NA	NA
+PJ087150	SPTKEWW 	C45H60N10O12	932.4392	NA	PeJP	NA	NA
+PJ087151	GVKEEWW 	C45H60N10O12	932.4393	NA	PeJP	NA	NA
+PJ087152	APPCKMMR 	C38H68N12O9S3	932.4395	NA	PeJP	NA	NA
+PJ087153	GNNMRRW 	C38H60N16O10S	932.4399	NA	PeJP	NA	NA
+PJ087154	GGGNMRRW 	C38H60N16O10S	932.44	NA	PeJP	NA	NA
+PJ087155	GLHHHFW 	C46H56N14O8	932.4406	NA	PeJP	NA	NA
+PJ087156	GSSNQERR 	C34H60N16O15	932.4424	NA	PeJP	NA	NA
+PJ087157	SDDERRR 	C34H60N16O15	932.4425	NA	PeJP	NA	NA
+PJ087158	PDKKEMW 	C42H64N10O12S	932.4426	NA	PeJP	NA	NA
+PJ087159	AALFYYW 	C50H60N8O10	932.4433	NA	PeJP	NA	NA
+PJ087160	GCKHFRW 	C43H60N14O8S	932.444	NA	PeJP	NA	NA
+PJ087161	AAKKEEEE 	C38H64N10O17	932.4451	NA	PeJP	NA	NA
+PJ087162	STTLLMMH 	C39H68N10O12S2	932.446	NA	PeJP	NA	NA
+PJ087163	GTEERRW 	C39H60N14O13	932.4465	NA	PeJP	NA	NA
+PJ087164	PCLKFYY 	C47H64N8O10S	932.4466	NA	PeJP	NA	NA
+PJ087165	GGVLMFFY 	C47H64N8O10S	932.4467	NA	PeJP	NA	NA
+PJ087166	GPMMRRW 	C40H64N14O8S2	932.4473	NA	PeJP	NA	NA
+PJ087167	TKHHHHH 	C40H56N18O9	932.4478	NA	PeJP	NA	NA
+PJ087168	SSSTLLYY 	C43H64N8O15	932.4491	NA	PeJP	NA	NA
+PJ087169	SPPVLEEY 	C43H64N8O15	932.4492	NA	PeJP	NA	NA
+PJ087170	VNEEMRR 	C36H64N14O13S	932.4498	NA	PeJP	NA	NA
+PJ087171	GGVEEMRR 	C36H64N14O13S	932.4499	NA	PeJP	NA	NA
+PJ087172	VVKMMYY 	C44H68N8O10S2	932.45	NA	PeJP	NA	NA
+PJ087173	KEERWW 	C44H60N12O11	932.4505	NA	PeJP	NA	NA
+PJ087174	CKKMMHR 	C37H68N14O8S3	932.4507	NA	PeJP	NA	NA
+PJ087175	PCQHHRR 	C37H60N18O9S	932.4512	NA	PeJP	NA	NA
+PJ087176	GLLLEEEM 	C40H68N8O15S	932.4525	NA	PeJP	NA	NA
+PJ087177	PPTLLMMM 	C41H72N8O10S3	932.4534	NA	PeJP	NA	NA
+PJ087178	VNQQKMW 	C41H64N12O11S	932.4538	NA	PeJP	NA	NA
+PJ087179	SPKEMRW 	C41H64N12O11S	932.4539	NA	PeJP	NA	NA
+PJ087180	VKEWWW 	C49H60N10O9	932.4545	NA	PeJP	NA	NA
+PJ087181	SSSPPTTTR 	C37H64N12O16	932.4563	NA	PeJP	NA	NA
+PJ087182	DKKEEER 	C37H64N12O16	932.4564	NA	PeJP	NA	NA
+PJ087183	AAPKEMMR 	C38H68N12O11S2	932.4572	NA	PeJP	NA	NA
+PJ087184	GGGGAPKKMM 	C38H68N12O11S2	932.4573	NA	PeJP	NA	NA
+PJ087185	SSNQRRW 	C38H60N16O12	932.4577	NA	PeJP	NA	NA
+PJ087186	SPVKMWW 	C46H64N10O9S	932.4579	NA	PeJP	NA	NA
+PJ087187	VDKKEEW 	C42H64N10O14	932.4604	NA	PeJP	NA	NA
+PJ087188	GEEMRRR 	C35H64N16O12S	932.4611	NA	PeJP	NA	NA
+PJ087189	PLQKMMW 	C43H68N10O9S2	932.4613	NA	PeJP	NA	NA
+MJ098068	2,3-Dihydroxyspirostan-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H72O20	932.461694	NA	MeJP	NA	NA
+MJ098069	Furost-25(27)-ene-3,12,22,26-tetrol, 12-Ketone, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H72O20	932.461694	NA	MeJP	NA	NA
+MJ098070	Spirost-5-ene-3,15,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H72O20	932.461694	NA	MeJP	NA	NA
+C17921	Scopoloside I	C45H72O20	932.4617	NA	KEGG	NA	NA
+PJ087190	TERRWW 	C43H60N14O10	932.4617	NA	PeJP	NA	NA
+PJ087191	SPTLQKEM 	C39H68N10O14S	932.4637	NA	PeJP	NA	NA
+PJ087192	APTKKEEM 	C39H68N10O14S	932.4638	NA	PeJP	NA	NA
+PJ087193	PLLEEFW 	C47H64N8O12	932.4644	NA	PeJP	NA	NA
+PJ087194	APPKKMMM 	C40H72N10O9S3	932.4646	NA	PeJP	NA	NA
+PJ087195	GVEMRRW 	C40H64N14O10S	932.4651	NA	PeJP	NA	NA
+PJ087196	SLRWWW 	C48H60N12O8	932.4657	NA	PeJP	NA	NA
+PJ087197	PPLHHFW 	C48H60N12O8	932.4658	NA	PeJP	NA	NA
+PJ087198	SKEEERR 	C36H64N14O15	932.4676	NA	PeJP	NA	NA
+PJ087199	LLLEEMW 	C44H68N8O12S	932.4678	NA	PeJP	NA	NA
+PJ087200	PDKMMRR 	C37H68N14O10S2	932.4685	NA	PeJP	NA	NA
+PJ087201	AQEHHRR 	C37H60N18O11	932.4689	NA	PeJP	NA	NA
+PJ087202	GAAEHHRR 	C37H60N18O11	932.469	NA	PeJP	NA	NA
+PJ087203	AALMRWW 	C45H64N12O8S	932.4691	NA	PeJP	NA	NA
+PJ087204	STLLLEEE 	C40H68N8O17	932.4703	NA	PeJP	NA	NA
+PJ087205	SPLLLEMM 	C41H72N8O12S2	932.4712	NA	PeJP	NA	NA
+PJ087206	SVKEERW 	C41H64N12O13	932.4716	NA	PeJP	NA	NA
+PJ087207	GGGGGGGAALLF 	C41H64N12O13	932.4717	NA	PeJP	NA	NA
+PJ087208	SNNMRRR 	C34H64N18O11S	932.4723	NA	PeJP	NA	NA
+PJ087209	PCLKMRW 	C42H68N12O8S2	932.4725	NA	PeJP	NA	NA
+PJ087210	GLQHHRW 	C42H60N16O9	932.473	NA	PeJP	NA	NA
+PJ087211	LQKEEMR 	C38H68N12O13S	932.475	NA	PeJP	NA	NA
+PJ087212	ATLKEWW 	C46H64N10O11	932.4756	NA	PeJP	NA	NA
+PJ087213	GGGAPLLYW 	C46H64N10O11	932.4757	NA	PeJP	NA	NA
+PJ087214	KKKMMMH 	C39H72N12O8S3	932.4759	NA	PeJP	NA	NA
+PJ087215	EMRRRW 	C39H64N16O9S	932.4763	NA	PeJP	NA	NA
+MJ098071	3,8,11,12,14,17-Hexahydroxypregn-5-en-20-one, 11-O-Benzoyl, 3-O-[?-L-diginopyranosyl-(1?4)-O-?-L-diginopyranosyl-(1?4)-O-?-L-diginopyranoside] 	C49H72O17	932.47695	NA	MeJP	NA	NA
+MJ098072	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(4-Hydroxybenzoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H72O17	932.47695	NA	MeJP	NA	NA
+MJ098073	Bryostatin 12 	C49H72O17	932.47695	NA	MeJP	NA	NA
+PJ087216	STEERRR 	C35H64N16O14	932.4788	NA	PeJP	NA	NA
+PJ087217	VLQKEMW 	C43H68N10O11S	932.479	NA	PeJP	NA	NA
+PJ087218	SPMMRRR 	C36H68N16O9S2	932.4797	NA	PeJP	NA	NA
+PJ087219	GDHHRRR 	C36H60N20O10	932.4802	NA	PeJP	NA	NA
+PJ087220	VMRRWW 	C44H64N14O7S	932.4804	NA	PeJP	NA	NA
+PJ087221	GTLKKEEE 	C39H68N10O16	932.4815	NA	PeJP	NA	NA
+PJ087222	GPLKKEMM 	C40H72N10O11S2	932.4824	NA	PeJP	NA	NA
+PJ087223	SSLERRW 	C40H64N14O12	932.4828	NA	PeJP	NA	NA
+PJ087224	GGSDKKRW 	C40H64N14O12	932.4829	NA	PeJP	NA	NA
+PJ087225	VVKMFFY 	C48H68N8O9S	932.483	NA	PeJP	NA	NA
+PJ087226	AAHHRRW 	C41H60N18O8	932.4842	NA	PeJP	NA	NA
+PJ087227	GPLLLEEY 	C44H68N8O14	932.4855	NA	PeJP	NA	NA
+2807	PEP inhibitor	MPPPLPARVDFSLAGALN	932.4856	MH2+	Inhouse_peptide	NA	peptide
+PJ087228	VDKEMRR 	C37H68N14O12S	932.4862	NA	PeJP	NA	NA
+PJ087229	GGGGGGGKKKM 	C37H68N14O12S	932.4863	NA	PeJP	NA	NA
+PJ087230	PPVVLMMF 	C45H72N8O9S2	932.4864	NA	PeJP	NA	NA
+PJ087231	ATTLRWW 	C45H64N12O10	932.4869	NA	PeJP	NA	NA
+PJ087232	PCKHHRR 	C38H64N18O8S	932.4876	NA	PeJP	NA	NA
+PJ087233	SVLLLEEM 	C41H72N8O14S	932.4889	NA	PeJP	NA	NA
+PJ087234	PVVLLMMM 	C42H76N8O9S3	932.4898	NA	PeJP	NA	NA
+PJ087235	GSSSQRRR 	C34H64N18O13	932.4901	NA	PeJP	NA	NA
+PJ087236	ALKEMRW 	C42H68N12O10S	932.4902	NA	PeJP	NA	NA
+PJ087237	GGTLLMRW 	C42H68N12O10S	932.4903	NA	PeJP	NA	NA
+PJ087238	GPLKFWW 	C50H64N10O8	932.4909	NA	PeJP	NA	NA
+PJ087239	SSVVKEER 	C38H68N12O15	932.4927	NA	PeJP	NA	NA
+PJ087240	GTTLKEER 	C38H68N12O15	932.4928	NA	PeJP	NA	NA
+PJ087241	GPTLKMMR 	C39H72N12O10S2	932.4936	NA	PeJP	NA	NA
+PJ087242	SSNKRRW 	C39H64N16O11	932.4941	NA	PeJP	NA	NA
+PJ087243	GLLKMWW 	C47H68N10O8S	932.4943	NA	PeJP	NA	NA
+PJ087244	TLKKEEW 	C43H68N10O13	932.4968	NA	PeJP	NA	NA
+PJ087245	SQQKMRR 	C36H68N16O11S	932.4974	NA	PeJP	NA	NA
+PJ087246	SVEMRRR 	C36H68N16O11S	932.4975	NA	PeJP	NA	NA
+PJ087247	PLKKMMW 	C44H72N10O8S2	932.4976	NA	PeJP	NA	NA
+MJ098074	Furost-25(27)-ene-1,3,4,22,26-pentol, 22-Me ether, 1-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-fucopyranoside], 26-O-?-D-glucopyranoside 	C46H76O19	932.49808	NA	MeJP	NA	NA
+MJ098075	Furost-5-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C46H76O19	932.49808	NA	MeJP	NA	NA
+PJ087248	GPVRRYW 	C44H64N14O9	932.4981	NA	PeJP	NA	NA
+PJ087249	SPTLKKEM 	C40H72N10O13S	932.5001	NA	PeJP	NA	NA
+PJ087250	GVLKKEEM 	C40H72N10O13S	932.5002	NA	PeJP	NA	NA
+MJ098076	Kahalalide O 	C48H68N8O11	932.500755	NA	MeJP	NA	NA
+PJ087251	PLLLEYW 	C48H68N8O11	932.5008	NA	PeJP	NA	NA
+PJ087252	ATLMRRW 	C41H68N14O9S	932.5015	NA	PeJP	NA	NA
+PJ087253	GTTTLERR 	C37H68N14O14	932.504	NA	PeJP	NA	NA
+PJ087254	SPPLLLMY 	C45H72N8O11S	932.5042	NA	PeJP	NA	NA
+PJ087255	VLQMMRR 	C38H72N14O9S2	932.5048	NA	PeJP	NA	NA
+PJ087256	LLNMMRR 	C38H72N14O9S2	932.5049	NA	PeJP	NA	NA
+PJ087257	GNQFRRR 	C38H64N18O10	932.5053	NA	PeJP	NA	NA
+PJ087258	ALLLLEMM 	C42H76N8O11S2	932.5075	NA	PeJP	NA	NA
+PJ087259	TTLKERW 	C42H68N12O12	932.508	NA	PeJP	NA	NA
+PJ087260	SCQKRRR 	C35H68N18O10S	932.5087	NA	PeJP	NA	NA
+PJ087261	PRRRYW 	C43H64N16O8	932.5093	NA	PeJP	NA	NA
+PJ087262	GLKHHRW 	C43H64N16O8	932.5094	NA	PeJP	NA	NA
+PJ087263	LKKEEMR 	C39H72N12O12S	932.5114	NA	PeJP	NA	NA
+PJ087264	STLLKWW 	C47H68N10O10	932.512	NA	PeJP	NA	NA
+PJ087265	GCKKRRW 	C40H68N16O8S	932.5127	NA	PeJP	NA	NA
+CJneg0657	Androsterone glucuronide [(2M-H)]-	C50H75O16	932.513925	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0657	Androsterone glucuronide [(2M-H)]-	C50H75O16	932.513925	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ087266	GSSDKKRR 	C36H68N16O13	932.5152	NA	PeJP	NA	NA
+PJ087267	VLKKEMW 	C44H72N10O10S	932.5154	NA	PeJP	NA	NA
+PJ087268	ALMMRRR 	C37H72N16O8S2	932.5161	NA	PeJP	NA	NA
+PJ087269	ATHHRRR 	C37H64N20O9	932.5166	NA	PeJP	NA	NA
+PJ087270	SSLLKKEE 	C40H72N10O15	932.5179	NA	PeJP	NA	NA
+PJ087271	SPVLKKMM 	C41H76N10O10S2	932.5188	NA	PeJP	NA	NA
+PJ087272	TTTLRRW 	C41H68N14O11	932.5192	NA	PeJP	NA	NA
+PJ087273	GGGAPKKRY 	C41H68N14O11	932.5193	NA	PeJP	NA	NA
+PJ087274	SPVLLLEY 	C45H72N8O13	932.5219	NA	PeJP	NA	NA
+PJ087275	TLKEMRR 	C38H72N14O11S	932.5226	NA	PeJP	NA	NA
+PJ087276	GTKKKWW 	C46H68N12O9	932.5233	NA	PeJP	NA	NA
+PJ087277	TTLLLLEM 	C42H76N8O13S	932.5253	NA	PeJP	NA	NA
+PJ087278	GSSSKRRR 	C35H68N18O12	932.5265	NA	PeJP	NA	NA
+PJ087279	SLLKMRW 	C43H72N12O9S	932.5266	NA	PeJP	NA	NA
+PJ087280	SSTLLKER 	C39H72N12O14	932.5291	NA	PeJP	NA	NA
+PJ087281	AALLKMMR 	C40H76N12O9S2	932.53	NA	PeJP	NA	NA
+PJ087282	SPVRRRY 	C40H68N16O10	932.5305	NA	PeJP	NA	NA
+PJ087283	ATTTLLKW 	C44H72N10O12	932.5331	NA	PeJP	NA	NA
+PJ087284	SSSLLLKW 	C44H72N10O12	932.5332	NA	PeJP	NA	NA
+PJ087285	TTLMRRR 	C37H72N16O10S	932.5338	NA	PeJP	NA	NA
+PJ087286	GGTKKMRR 	C37H72N16O10S	932.5339	NA	PeJP	NA	NA
+MJ098077	Cycloartane-3,6,16,24,25-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranoside], 24-O-?-D-glucopyranoside 	C47H80O18	932.534465	NA	MeJP	NA	NA
+MJ098078	Dammar-24-ene-2,3,12,20-tetrol, 3-O-?-D-Glycopyranoside, 20-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H80O18	932.534465	NA	MeJP	NA	NA
+MJ098079	Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C47H80O18	932.534465	NA	MeJP	NA	NA
+C08939	Cyclofoetoside B	C47H80O18	932.5345	NA	KEGG	NA	NA
+C08961	Notoginsenoside R1	C47H80O18	932.5345	NA	KEGG	NA	NA
+PJ087287	GVLFRRW 	C45H68N14O8	932.5345	NA	PeJP	NA	NA
+PJ087288	ATLLKKEM 	C41H76N10O12S	932.5365	NA	PeJP	NA	NA
+PJ087289	LLLLEFW 	C49H72N8O10	932.5372	NA	PeJP	NA	NA
+PJ087290	GKKKMRW 	C42H72N14O8S	932.5379	NA	PeJP	NA	NA
+PJ087291	SSTTLLRR 	C38H72N14O13	932.5404	NA	PeJP	NA	NA
+PJ087292	APLLLLMY 	C46H76N8O10S	932.5406	NA	PeJP	NA	NA
+PJ087293	VLKMMRR 	C39H76N14O8S2	932.5412	NA	PeJP	NA	NA
+PJ087294	GNKFRRR 	C39H68N18O9	932.5417	NA	PeJP	NA	NA
+PJ087295	SLLLLLMM 	C43H80N8O10S2	932.5439	NA	PeJP	NA	NA
+PJ087296	SKKKKEW 	C43H72N12O11	932.5444	NA	PeJP	NA	NA
+PJ087297	SCKKRRR 	C36H72N18O9S	932.5451	NA	PeJP	NA	NA
+PJ087298	LFRRRW 	C44H68N16O7	932.5457	NA	PeJP	NA	NA
+PJ087299	ATTLLKMR 	C40H76N12O11S	932.5478	NA	PeJP	NA	NA
+PJ087300	PVLKKYW 	C48H72N10O9	932.5484	NA	PeJP	NA	NA
+MJ098080	Avermectin B1d; 22,23-Dihydro, 23S-hydroxy, O5-Me 	C51H80O15	932.549721	NA	MeJP	NA	NA
+PJ087301	GSTTKKRR 	C37H72N16O12	932.5516	NA	PeJP	NA	NA
+PJ087302	GPLLKKMF 	C45H76N10O9S	932.5518	NA	PeJP	NA	NA
+PJ087303	TTTLLKKE 	C41H76N10O14	932.5543	NA	PeJP	NA	NA
+PJ087304	GLLLKKMM 	C42H80N10O9S2	932.5552	NA	PeJP	NA	NA
+PJ087305	STKKKRW 	C42H72N14O10	932.5556	NA	PeJP	NA	NA
+PJ087306	GLLLLLEY 	C46H76N8O12	932.5583	NA	PeJP	NA	NA
+PJ087307	DKKKKMR 	C39H76N14O10S	932.559	NA	PeJP	NA	NA
+PJ087308	ALLKFRW 	C47H72N12O8	932.5596	NA	PeJP	NA	NA
+PJ087309	VVVKFRW 	C47H72N12O8	932.5597	NA	PeJP	NA	NA
+PJ087310	CLKKKKW 	C44H76N12O8S	932.563	NA	PeJP	NA	NA
+PJ087311	TTTTLLKR 	C40H76N12O13	932.5655	NA	PeJP	NA	NA
+PJ087312	GLLRRRY 	C41H72N16O9	932.5669	NA	PeJP	NA	NA
+PJ087313	APTLLKKY 	C45H76N10O11	932.5695	NA	PeJP	NA	NA
+PJ087314	GGGLLLLKY 	C45H76N10O11	932.5696	NA	PeJP	NA	NA
+PJ087315	SKKKMRR 	C38H76N16O9S	932.5702	NA	PeJP	NA	NA
+MJ098081	Dammarane-3,20,24,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H84O17	932.570851	NA	MeJP	NA	NA
+PJ087316	STLLLKKM 	C42H80N10O11S	932.5729	NA	PeJP	NA	NA
+PJ087317	LLLLLYW 	C50H76N8O9	932.5736	NA	PeJP	NA	NA
+PJ087318	ATTTKKKR 	C39H76N14O12	932.5767	NA	PeJP	NA	NA
+PJ087319	SSSLKKKR 	C39H76N14O12	932.5768	NA	PeJP	NA	NA
+PJ087320	ALLLLLMF 	C47H80N8O9S	932.5769	NA	PeJP	NA	NA
+PJ087321	PVLHRRR 	C40H72N18O8	932.5781	NA	PeJP	NA	NA
+PJ087322	LLLQKRY 	C44H76N12O10	932.5808	NA	PeJP	NA	NA
+MJ098082	Megalomicin A; 4A-Propanoyl 	C47H84N2O16	932.582084	NA	MeJP	NA	NA
+PJ087323	GTLKKKKM 	C41H80N12O10S	932.5842	NA	PeJP	NA	NA
+PJ087324	VLLKKFW 	C49H76N10O8	932.5848	NA	PeJP	NA	NA
+MJ098083	Sphinxolide F; 8-Demethoxy, 10-deoxy, 19-Me ether 	C52H84O14	932.586107	NA	MeJP	NA	NA
+PJ087325	VVLKRRY 	C43H76N14O9	932.592	NA	PeJP	NA	NA
+PJ087326	SVLLLLLY 	C47H80N8O11	932.5947	NA	PeJP	NA	NA
+PJ087327	STTLKKKK 	C41H80N12O12	932.6019	NA	PeJP	NA	NA
+PJ087328	AKKKFRR 	C42H76N16O8	932.6032	NA	PeJP	NA	NA
+PJ087329	GVLLLKKY 	C46H80N10O10	932.6059	NA	PeJP	NA	NA
+MJ098084	Isocangorosin A; 6',7'-Dihydro 	C60H84O8	932.616619	NA	MeJP	NA	NA
+PJ087330	LLLKKRY 	C45H80N12O9	932.6172	NA	PeJP	NA	NA
+PJ087331	VKKKKFR 	C44H80N14O8	932.6284	NA	PeJP	NA	NA
+PJ087332	VLLLLLLH 	C47H84N10O9	932.6423	NA	PeJP	NA	NA
+HMDB05471	TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H104O6	932.78326	http://www.hmdb.ca/metabolites/HMDB05471	HMDB	NA	NA
+HMDB05471	TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H104O6	932.78326	HMDB05471	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05471	TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H104O6	932.783264	NA	HMDB2010	NA	NA
+HMDB10468	TG(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C61H104O6	932.783264	NA	HMDB2010	NA	NA
+HMDB10486	TG(18:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]	C61H104O6	932.783264	NA	HMDB2010	NA	NA
+PJ087333	GCCCCCCCH 	C29H47N11O10S7	933.1553	NA	PeJP	NA	NA
+PJ087334	PPCCCCCCC 	C31H51N9O10S7	933.1804	NA	PeJP	NA	NA
+PJ087335	GCCCCCNND 	C29H47N11O14S5	933.1908	NA	PeJP	NA	NA
+PJ087336	GSCCCCDDE 	C30H47N9O17S4	933.1973	NA	PeJP	NA	NA
+PJ087337	GPCCCCCDM 	C31H51N9O12S6	933.1982	NA	PeJP	NA	NA
+PJ087338	SCCCCDDW 	C34H47N9O14S4	933.2126	NA	PeJP	NA	NA
+C11407	(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA	C31H50N7O18P3S	933.2146	NA	KEGG	NA	NA
+C11421	(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA	C31H50N7O18P3S	933.2146	NA	KEGG	NA	NA
+C11934	2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA	C31H50N7O18P3S	933.2146	NA	KEGG	NA	NA
+C11948	2,6-Dimethyl-5-methylene-3-oxo-heptanoyl-CoA	C31H50N7O18P3S	933.2146	NA	KEGG	NA	NA
+PJ087339	SSSCCCDDD 	C30H47N9O19S3	933.2151	NA	PeJP	NA	NA
+PJ087340	CCCNDDMM 	C31H51N9O14S5	933.2159	NA	PeJP	NA	NA
+PJ087341	GGCCCDDMM 	C31H51N9O14S5	933.216	NA	PeJP	NA	NA
+MetaCyc04328	cobalt-factor III []	C43H46N4O16COBALT1	933.224082	NA	metacyc	NA	NA
+C17401	Cobalt-factor III	C43H46CoN4O16	933.2241	NA	KEGG	NA	NA
+PJ087342	CCCCCDER 	C30H51N11O13S5	933.2272	NA	PeJP	NA	NA
+PJ087343	CCCNDDDF 	C34H47N9O16S3	933.2303	NA	PeJP	NA	NA
+PJ087344	GCCCCEMW 	C35H51N9O11S5	933.2312	NA	PeJP	NA	NA
+PJ087345	GSSCCCDEM 	C31H51N9O16S4	933.2337	NA	PeJP	NA	NA
+PJ087346	GSPCCCCMM 	C32H55N9O11S6	933.2346	NA	PeJP	NA	NA
+PJ087347	CCCCNDHH 	C32H47N13O12S4	933.235	NA	PeJP	NA	NA
+PJ087348	GGCCCCDHH 	C32H47N13O12S4	933.2351	NA	PeJP	NA	NA
+PJ087349	SSSCCCCNQ 	C30H51N11O15S4	933.2449	NA	PeJP	NA	NA
+PJ087350	CCCCMWW 	C39H51N9O8S5	933.2465	NA	PeJP	NA	NA
+PJ087351	SCCNDDDY 	C34H47N9O18S2	933.2481	NA	PeJP	NA	NA
+PJ087352	SSCCCDMW 	C35H51N9O13S4	933.249	NA	PeJP	NA	NA
+PJ087353	SSSTCCCDE 	C31H51N9O18S3	933.2514	NA	PeJP	NA	NA
+PJ087354	SSSSCCDDM 	C31H51N9O18S3	933.2515	NA	PeJP	NA	NA
+PJ087355	SCCNDMMM 	C32H55N9O13S5	933.2523	NA	PeJP	NA	NA
+MJ098085	Caracurine V; Nb,Nb'-Di-Me 	C40H46N4O22(+)	933.252544	NA	MeJP	NA	NA
+MJ098086	Toxiferine I 	C40H46N4O22(+)	933.252544	NA	MeJP	NA	NA
+PJ087356	CCCCNNQF 	C34H51N11O12S4	933.2602	NA	PeJP	NA	NA
+PJ087357	GSSSSSCCCN 	C30H51N11O17S3	933.2627	NA	PeJP	NA	NA
+PJ087358	SCCCCEMR 	C31H55N11O12S5	933.2636	NA	PeJP	NA	NA
+PJ087359	GPCCCCYW 	C39H51N9O10S4	933.2642	NA	PeJP	NA	NA
+FL7AAAGL0057	Pelargonidin 3-O-[2-O-(6-O-(E)-feruloyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelaronidin 3-(2-(6-ferulylglucosyl)glucoside)-5-glucoside	C43H49O23	933.26646	214117-66-5	knapsack	NA	NA
+FL7AAAGL0062	Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside	C43H49O23	933.26646	185027-87-6	knapsack	NA	NA
+FL7AADGL0021	Peonidin 3-p-coumarylsophoroside-5-glucoside	C43H49O23	933.26646	38718-99-9	knapsack	NA	NA
+FL7AADGL0026	Peonidin 3-caffeylrutinoside-5-glucoside	C43H49O23	933.26646	704210-28-6	knapsack	NA	NA
+FL7AAHGL0015	Petanin;Petunidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside	C43H49O23	933.26646	69915-09-9	knapsack	NA	NA
+C16295	Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside	C43H49O23	933.2665	NA	KEGG	NA	NA
+PJ087360	GCCNDEMY 	C35H51N9O15S3	933.2667	NA	PeJP	NA	NA
+PJ087361	GTCCCMMW 	C36H55N9O10S5	933.2676	NA	PeJP	NA	NA
+PJ087362	GSSSCCEMM 	C32H55N9O15S4	933.2701	NA	PeJP	NA	NA
+PJ087363	CCNNNDDH 	C32H47N13O16S2	933.2706	NA	PeJP	NA	NA
+PJ087364	GCCQMMMM 	C33H59N9O10S6	933.271	NA	PeJP	NA	NA
+PJ087365	SCCCNMHH 	C33H51N13O11S4	933.2714	NA	PeJP	NA	NA
+PJ087366	SCNDDDEH 	C33H47N11O19S	933.2771	NA	PeJP	NA	NA
+PJ087367	SCCCNNQY 	C34H51N11O14S3	933.2779	NA	PeJP	NA	NA
+PJ087368	GCCCDDRY 	C34H51N11O14S3	933.278	NA	PeJP	NA	NA
+PJ087369	PCCCCCFR 	C35H55N11O9S5	933.2788	NA	PeJP	NA	NA
+PJ087370	SSSCCCCNK 	C31H55N11O14S4	933.2813	NA	PeJP	NA	NA
+PJ087371	CCNDMYW 	C39H51N9O12S3	933.282	NA	PeJP	NA	NA
+PJ087372	GCCCMMMR 	C32H59N11O9S6	933.2822	NA	PeJP	NA	NA
+PJ087373	PNDDDDDE 	C34H47N9O22	933.2836	NA	PeJP	NA	NA
+PJ087374	SSCNDDMY 	C35H51N9O17S2	933.2845	NA	PeJP	NA	NA
+PJ087375	SSSCCMMW 	C36H55N9O12S4	933.2853	NA	PeJP	NA	NA
+PJ087376	GGGCCEMMF 	C36H55N9O12S4	933.2854	NA	PeJP	NA	NA
+PJ087377	DDDDEYY 	C39H47N7O20	933.2876	NA	PeJP	NA	NA
+PJ087378	SSSSSCDMM 	C32H55N9O17S3	933.2878	NA	PeJP	NA	NA
+PJ087379	SSCNMMMM 	C33H59N9O12S5	933.2887	NA	PeJP	NA	NA
+PJ087380	GSSTCCCHH 	C33H51N13O13S3	933.2892	NA	PeJP	NA	NA
+PJ087381	DDEMMMY 	C37H55N7O15S3	933.2919	NA	PeJP	NA	NA
+PJ087382	GSCDDDHW 	C37H47N11O16S	933.2923	NA	PeJP	NA	NA
+PJ087383	GPCCCEHW 	C38H51N11O11S3	933.2932	NA	PeJP	NA	NA
+PJ087384	GSSSDDDDH 	C33H47N11O21	933.2948	NA	PeJP	NA	NA
+PJ087385	GSSSCCNNY 	C34H51N11O16S2	933.2957	NA	PeJP	NA	NA
+PJ087386	EMMMMMM 	C35H63N7O10S6	933.2961	NA	PeJP	NA	NA
+PJ087387	SPCCCCRY 	C35H55N11O11S4	933.2966	NA	PeJP	NA	NA
+PJ087388	ACCCYWW 	C43H51N9O9S3	933.2972	NA	PeJP	NA	NA
+PJ087389	GPDDDDDW 	C38H47N9O19	933.2989	NA	PeJP	NA	NA
+PJ087390	GSSCCEYW 	C39H51N9O14S2	933.2997	NA	PeJP	NA	NA
+PJ087391	STCCCMMR 	C32H59N11O11S5	933.2999	NA	PeJP	NA	NA
+PJ087392	GSCCCCCKK 	C32H59N11O11S5	933.3	NA	PeJP	NA	NA
+PJ087393	CCNMMFW 	C40H55N9O9S4	933.3006	NA	PeJP	NA	NA
+PJ087394	GSSSSCDEY 	C35H51N9O19S	933.3022	NA	PeJP	NA	NA
+PJ087395	GSCNEMMY 	C36H55N9O14S3	933.3031	NA	PeJP	NA	NA
+PJ087396	GCCYYYY 	C44H51N7O12S2	933.3037	NA	PeJP	NA	NA
+PJ087397	PCCCCKMF 	C37H59N9O9S5	933.304	NA	PeJP	NA	NA
+PJ087398	GCCCQHHF 	C37H51N13O10S3	933.3044	NA	PeJP	NA	NA
+PJ087399	GGACCCHHF 	C37H51N13O10S3	933.3045	NA	PeJP	NA	NA
+PJ087400	NNNNNDDD 	C32H47N13O20	933.3061	NA	PeJP	NA	NA
+PJ087401	DDDEMFY 	C40H51N7O17S	933.3062	NA	PeJP	NA	NA
+PJ087402	GSSSTCMMM 	C33H59N9O14S4	933.3065	NA	PeJP	NA	NA
+PJ087403	SSSSSCCHH 	C33H51N13O15S2	933.3069	NA	PeJP	NA	NA
+PJ087404	GCCDDEHR 	C33H51N13O15S2	933.307	NA	PeJP	NA	NA
+PJ087405	GCCKMMMM 	C34H63N9O9S6	933.3073	NA	PeJP	NA	NA
+PJ087406	TCCCCKHH 	C34H55N13O10S4	933.3078	NA	PeJP	NA	NA
+PJ087407	PCCCHWW 	C42H51N11O8S3	933.3085	NA	PeJP	NA	NA
+PJ087408	GNDDDDHF 	C37H47N11O18	933.3101	NA	PeJP	NA	NA
+PJ087409	DEMMMMF 	C38H59N7O12S4	933.3105	NA	PeJP	NA	NA
+PJ087410	CNDEMHW 	C38H51N11O13S2	933.311	NA	PeJP	NA	NA
+PJ087411	SSNDDEMH 	C34H51N11O18S	933.3135	NA	PeJP	NA	NA
+PJ087412	GSCCDMRY 	C35H55N11O13S3	933.3143	NA	PeJP	NA	NA
+PJ087413	GGGGSPPPCCC 	C35H55N11O13S3	933.3144	NA	PeJP	NA	NA
+PJ087414	GCNDDHHH 	C35H47N15O14S	933.3148	NA	PeJP	NA	NA
+PJ087415	SSCCYWW 	C43H51N9O11S2	933.315	NA	PeJP	NA	NA
+PJ087416	SSSSCDYW 	C39H51N9O16S	933.3175	NA	PeJP	NA	NA
+PJ087417	SCNMMYW 	C40H55N9O11S3	933.3183	NA	PeJP	NA	NA
+PJ087418	GGSCMMYW 	C40H55N9O11S3	933.3184	NA	PeJP	NA	NA
+PJ087419	SSSSSSDDY 	C35H51N9O21	933.32	NA	PeJP	NA	NA
+PJ087420	SSSNDMMY 	C36H55N9O16S2	933.3208	NA	PeJP	NA	NA
+PJ087421	GGSSSDMMY 	C36H55N9O16S2	933.3209	NA	PeJP	NA	NA
+PJ087422	NNMMMMY 	C37H59N9O11S4	933.3217	NA	PeJP	NA	NA
+PJ087423	CCDDHRW 	C37H51N13O12S2	933.3222	NA	PeJP	NA	NA
+PJ087424	SDEEEYY 	C40H51N7O19	933.324	NA	PeJP	NA	NA
+PJ087425	SSSSSSMMM 	C33H59N9O16S3	933.3242	NA	PeJP	NA	NA
+PJ087426	SSCDDDHR 	C33H51N13O17S	933.3247	NA	PeJP	NA	NA
+PJ087427	PDDMMYY 	C41H55N7O14S2	933.3249	NA	PeJP	NA	NA
+PJ087428	STCCKMMM 	C34H63N9O11S5	933.3251	NA	PeJP	NA	NA
+PJ087429	SPCCCEHR 	C34H55N13O12S3	933.3256	NA	PeJP	NA	NA
+PJ087430	GCDMHWW 	C42H51N11O10S2	933.3262	NA	PeJP	NA	NA
+PJ087431	TEEMMMY 	C38H59N7O14S3	933.3282	NA	PeJP	NA	NA
+PJ087432	GSSDDMHW 	C38H51N11O15S	933.3287	NA	PeJP	NA	NA
+PJ087433	PMMMMMY 	C39H63N7O9S5	933.3291	NA	PeJP	NA	NA
+PJ087434	TCCCRYW 	C39H55N11O10S3	933.3296	NA	PeJP	NA	NA
+PJ087435	SPDDDDDR 	C34H51N11O20	933.3312	NA	PeJP	NA	NA
+PJ087436	GGGGGGGEEEE 	C34H51N11O20	933.3313	NA	PeJP	NA	NA
+PJ087437	SSSCCERY 	C35H55N11O15S2	933.3321	NA	PeJP	NA	NA
+PJ087438	GCNEYYW 	C43H51N9O13S	933.3327	NA	PeJP	NA	NA
+PJ087439	CCQMMRY 	C36H59N11O10S4	933.333	NA	PeJP	NA	NA
+PJ087440	SPCCNHHH 	C36H51N15O11S2	933.3334	NA	PeJP	NA	NA
+PJ087441	CCMHFFF 	C44H55N9O8S3	933.3336	NA	PeJP	NA	NA
+PJ087442	GSSNDEYY 	C39H51N9O18	933.3352	NA	PeJP	NA	NA
+PJ087443	GSPDDEEW 	C39H51N9O18	933.3353	NA	PeJP	NA	NA
+PJ087444	CNNNNNNQ 	C32H51N15O16S	933.3359	NA	PeJP	NA	NA
+PJ087445	GGGGGGGGCNNQ 	C32H51N15O16S	933.336	NA	PeJP	NA	NA
+PJ087446	GSSTCMYW 	C40H55N9O13S2	933.3361	NA	PeJP	NA	NA
+PJ087447	GCCNNMHR 	C33H55N15O11S3	933.3368	NA	PeJP	NA	NA
+PJ087448	GSSSSSEMY 	C36H55N9O18S	933.3386	NA	PeJP	NA	NA
+PJ087449	PDDDFYY 	C44H51N7O16	933.3393	NA	PeJP	NA	NA
+PJ087450	GSSQMMMY 	C37H59N9O13S3	933.3395	NA	PeJP	NA	NA
+PJ087451	SSSCNNHW 	C37H51N13O14S	933.3399	NA	PeJP	NA	NA
+PJ087452	GGSSSCNHW 	C37H51N13O14S	933.34	NA	PeJP	NA	NA
+PJ087453	GCCCKHHF 	C38H55N13O9S3	933.3408	NA	PeJP	NA	NA
+PJ087454	SSSSSNNDH 	C33H51N13O19	933.3424	NA	PeJP	NA	NA
+PJ087455	GNNDDDER 	C33H51N13O19	933.3425	NA	PeJP	NA	NA
+PJ087456	AEEEMYY 	C41H55N7O16S	933.3426	NA	PeJP	NA	NA
+PJ087457	GSCDEMHR 	C34H55N13O14S2	933.3433	NA	PeJP	NA	NA
+PJ087458	GGGGGGGGPCQM 	C34H55N13O14S2	933.3434	NA	PeJP	NA	NA
+PJ087459	PDMMMFY 	C42H59N7O11S3	933.3435	NA	PeJP	NA	NA
+PJ087460	SSCEHWW 	C42H51N11O12S	933.344	NA	PeJP	NA	NA
+PJ087461	CCCMRRY 	C35H59N13O9S4	933.3442	NA	PeJP	NA	NA
+PJ087462	SSSSDEHW 	C38H51N11O17	933.3465	NA	PeJP	NA	NA
+PJ087463	VEMMMMY 	C39H63N7O11S4	933.3469	NA	PeJP	NA	NA
+PJ087464	SNEMMHW 	C39H55N11O12S2	933.3473	NA	PeJP	NA	NA
+PJ087465	GGSEMMHW 	C39H55N11O12S2	933.3474	NA	PeJP	NA	NA
+PJ087466	CNYYWW 	C47H51N9O10S	933.348	NA	PeJP	NA	NA
+PJ087467	SSSQEEMH 	C35H55N11O17S	933.3498	NA	PeJP	NA	NA
+PJ087468	GPDDDEMR 	C35H55N11O17S	933.3499	NA	PeJP	NA	NA
+PJ087469	SPDDEWW 	C43H51N9O15	933.3505	NA	PeJP	NA	NA
+PJ087470	GSSCMMRY 	C36H59N11O12S3	933.3507	NA	PeJP	NA	NA
+PJ087471	GSNDMHHH 	C36H51N15O13S	933.3512	NA	PeJP	NA	NA
+PJ087472	PPCDMWW 	C44H55N9O10S2	933.3514	NA	PeJP	NA	NA
+PJ087473	GSSNNNNNN 	C32H51N15O18	933.3537	NA	PeJP	NA	NA
+PJ087474	SSSSSMYW 	C40H55N9O15S	933.3539	NA	PeJP	NA	NA
+PJ087475	SSCCNQHR 	C33H55N15O13S2	933.3545	NA	PeJP	NA	NA
+PJ087476	GGSSCCQHR 	C33H55N15O13S2	933.3546	NA	PeJP	NA	NA
+PJ087477	TCCKMYW 	C41H59N9O10S3	933.3547	NA	PeJP	NA	NA
+PJ087478	GGGGMMMFF 	C41H59N9O10S3	933.3548	NA	PeJP	NA	NA
+PJ087479	CNNNHFW 	C41H51N13O11S	933.3552	NA	PeJP	NA	NA
+PJ087480	SSSSSSTEY 	C36H55N9O20	933.3563	NA	PeJP	NA	NA
+PJ087481	AAQEEEEE 	C36H55N9O20	933.3564	NA	PeJP	NA	NA
+PJ087482	SSSTQMMY 	C37H59N9O15S2	933.3572	NA	PeJP	NA	NA
+PJ087483	GGSPPEEMM 	C37H59N9O15S2	933.3573	NA	PeJP	NA	NA
+PJ087484	NNDDDRW 	C37H51N13O16	933.3577	NA	PeJP	NA	NA
+PJ087485	PPCEYYY 	C45H55N7O13S	933.3579	NA	PeJP	NA	NA
+PJ087486	CQKMMMY 	C38H63N9O10S4	933.3581	NA	PeJP	NA	NA
+PJ087487	SCDMHRW 	C38H55N13O11S2	933.3586	NA	PeJP	NA	NA
+PJ087488	DDHHHHH 	C38H47N17O12	933.3591	NA	PeJP	NA	NA
+PJ087489	TTEEEYY 	C41H55N7O18	933.3604	NA	PeJP	NA	NA
+PJ087490	SSSDDMHR 	C34H55N13O16S	933.3611	NA	PeJP	NA	NA
+PJ087491	PTEMMYY 	C42H59N7O13S2	933.3613	NA	PeJP	NA	NA
+PJ087492	GNNEEWW 	C42H51N11O14	933.3617	NA	PeJP	NA	NA
+PJ087493	GGGGGEEWW 	C42H51N11O14	933.3618	NA	PeJP	NA	NA
+PJ087494	NDMMMHR 	C35H59N13O11S3	933.362	NA	PeJP	NA	NA
+PJ087495	PMMMMFF 	C43H63N7O8S4	933.3621	NA	PeJP	NA	NA
+PJ087496	GSMMHWW 	C43H55N11O9S2	933.3626	NA	PeJP	NA	NA
+PJ087497	PDDDMRW 	C39H55N11O14S	933.3651	NA	PeJP	NA	NA
+PJ087498	LMMMMMF 	C40H67N7O8S5	933.3655	NA	PeJP	NA	NA
+PJ087499	AQMMMHW 	C40H59N11O9S3	933.366	NA	PeJP	NA	NA
+PJ087500	SCQHHHW 	C40H51N15O10S	933.3664	NA	PeJP	NA	NA
+PJ087501	GGTCHHHW 	C40H51N15O10S	933.3665	NA	PeJP	NA	NA
+PJ087502	NEEEEER 	C35H55N11O19	933.3676	NA	PeJP	NA	NA
+PJ087503	SSSTCMRY 	C36H59N11O14S2	933.3685	NA	PeJP	NA	NA
+PJ087504	SSSNEHHH 	C36H51N15O15	933.3689	NA	PeJP	NA	NA
+PJ087505	GGSSSEHHH 	C36H51N15O15	933.369	NA	PeJP	NA	NA
+PJ087506	GPEEMWW 	C44H55N9O12S	933.3691	NA	PeJP	NA	NA
+PJ087507	CCKMMRY 	C37H63N11O9S4	933.3693	NA	PeJP	NA	NA
+PJ087508	PPPCCMMR 	C37H63N11O9S4	933.3694	NA	PeJP	NA	NA
+PJ087509	NQMMHHH 	C37H55N15O10S2	933.3698	NA	PeJP	NA	NA
+PJ087510	VNEEEEW 	C40H55N9O17	933.3716	NA	PeJP	NA	NA
+PJ087511	GSSSSCNHR 	C33H55N15O15S	933.3723	NA	PeJP	NA	NA
+PJ087512	GGGGGGGGGDMR 	C33H55N15O15S	933.3724	NA	PeJP	NA	NA
+PJ087513	GSPPEMMW 	C41H59N9O12S2	933.3725	NA	PeJP	NA	NA
+PJ087514	SNNNNWW 	C41H51N13O13	933.373	NA	PeJP	NA	NA
+PJ087515	CCEMHRR 	C34H59N15O10S3	933.3732	NA	PeJP	NA	NA
+PJ087516	GSSSTTTMY 	C37H59N9O17S	933.375	NA	PeJP	NA	NA
+PJ087517	APEEYYY 	C45H55N7O15	933.3756	NA	PeJP	NA	NA
+PJ087518	AEEEFFY 	C45H55N7O15	933.3757	NA	PeJP	NA	NA
+PJ087519	GSSKMMMY 	C38H63N9O12S3	933.3759	NA	PeJP	NA	NA
+PJ087520	GSPCNDRW 	C38H55N13O13S	933.3763	NA	PeJP	NA	NA
+PJ087521	GGGGGGQQMW 	C38H55N13O13S	933.3764	NA	PeJP	NA	NA
+PJ087522	PDMMFFF 	C46H59N7O10S2	933.3765	NA	PeJP	NA	NA
+PJ087523	NNEWWW 	C46H51N11O11	933.377	NA	PeJP	NA	NA
+PJ087524	ACMMHRW 	C39H59N13O8S3	933.3772	NA	PeJP	NA	NA
+PJ087525	GSNNEEER 	C34H55N13O18	933.3788	NA	PeJP	NA	NA
+PJ087526	DDDEERR 	C34H55N13O18	933.3789	NA	PeJP	NA	NA
+PJ087527	SLEEMYY 	C42H59N7O15S	933.379	NA	PeJP	NA	NA
+PJ087528	GSSEMMHR 	C35H59N13O13S2	933.3797	NA	PeJP	NA	NA
+PJ087529	PVMMMYY 	C43H63N7O10S3	933.3799	NA	PeJP	NA	NA
+PJ087530	GNNNNQHH 	C35H51N17O14	933.3802	NA	PeJP	NA	NA
+PJ087531	SSTMHWW 	C43H55N11O11S	933.3804	NA	PeJP	NA	NA
+PJ087532	CNMHHHR 	C36H55N17O9S2	933.3811	NA	PeJP	NA	NA
+PJ087533	GEEEERW 	C39H55N11O16	933.3829	NA	PeJP	NA	NA
+PJ087534	SDKMMHW 	C40H59N11O11S2	933.3837	NA	PeJP	NA	NA
+PJ087535	GGGGAAPMMW 	C40H59N11O11S2	933.3838	NA	PeJP	NA	NA
+PJ087536	GSSSHHHW 	C40H51N15O12	933.3842	NA	PeJP	NA	NA
+PJ087537	PEMWWW 	C48H55N9O9S	933.3844	NA	PeJP	NA	NA
+PJ087538	GSPEEEMR 	C36H59N11O16S	933.3862	NA	PeJP	NA	NA
+PJ087539	GGGGGLQEEM 	C36H59N11O16S	933.3863	NA	PeJP	NA	NA
+PJ087540	GVEEEWW 	C44H55N9O14	933.3869	NA	PeJP	NA	NA
+PJ087541	GPPDMMMR 	C37H63N11O11S3	933.3871	NA	PeJP	NA	NA
+PJ087542	CNNNQRW 	C37H55N15O12S	933.3876	NA	PeJP	NA	NA
+PJ087543	SPPMMWW 	C45H59N9O9S2	933.3877	NA	PeJP	NA	NA
+PJ087544	GCKMFYW 	C45H59N9O9S2	933.3878	NA	PeJP	NA	NA
+PJ087545	GPDHHWW 	C45H51N13O10	933.3882	NA	PeJP	NA	NA
+PJ087546	GSNDDDRR 	C33H55N15O17	933.3901	NA	PeJP	NA	NA
+PJ087547	SNKEMYY 	C41H59N9O14S	933.3902	NA	PeJP	NA	NA
+PJ087548	PDKEEMW 	C41H59N9O14S	933.3903	NA	PeJP	NA	NA
+PJ087549	APCCNDRR 	C34H59N15O12S2	933.3909	NA	PeJP	NA	NA
+PJ087550	GPCCNERR 	C34H59N15O12S2	933.391	NA	PeJP	NA	NA
+PJ087551	AAPPMMMW 	C42H63N9O9S3	933.3911	NA	PeJP	NA	NA
+PJ087552	GCEHFRW 	C42H55N13O10S	933.3916	NA	PeJP	NA	NA
+PJ087553	GNWWWW 	C50H51N11O8	933.3922	NA	PeJP	NA	NA
+PJ087554	GGGWWWW 	C50H51N11O8	933.3923	NA	PeJP	NA	NA
+PJ087555	SSSSTTTTY 	C37H59N9O19	933.3927	NA	PeJP	NA	NA
+PJ087556	AAKEEEEE 	C37H59N9O19	933.3928	NA	PeJP	NA	NA
+PJ087557	SSSTKMMY 	C38H63N9O14S2	933.3936	NA	PeJP	NA	NA
+PJ087558	SNNEERW 	C38H55N13O15	933.3941	NA	PeJP	NA	NA
+PJ087559	PPTMYYY 	C46H59N7O12S	933.3943	NA	PeJP	NA	NA
+PJ087560	CKKMMMY 	C39H67N9O9S4	933.3945	NA	PeJP	NA	NA
+PJ087561	SSMMHRW 	C39H59N13O10S2	933.395	NA	PeJP	NA	NA
+PJ087562	TEHHHHH 	C39H51N17O11	933.3954	NA	PeJP	NA	NA
+PJ087563	QMHFWW 	C47H55N11O8S	933.3956	NA	PeJP	NA	NA
+PJ087564	SSSTEMHR 	C35H59N13O15S	933.3975	NA	PeJP	NA	NA
+PJ087565	VVEMMYY 	C43H63N7O12S2	933.3976	NA	PeJP	NA	NA
+PJ087566	EEERWW 	C43H55N11O13	933.3981	NA	PeJP	NA	NA
+PJ087567	TQMMMHR 	C36H63N13O10S3	933.3983	NA	PeJP	NA	NA
+PJ087568	GAPPCCCKR 	C36H63N13O10S3	933.3984	NA	PeJP	NA	NA
+PJ087569	GSTCHHHR 	C36H55N17O11S	933.3988	NA	PeJP	NA	NA
+PJ087570	CLMHHFF 	C44H59N11O8S2	933.399	NA	PeJP	NA	NA
+PJ087571	GNHHHFW 	C44H51N15O9	933.3995	NA	PeJP	NA	NA
+PJ087572	SPEEMRW 	C40H59N11O13S	933.4015	NA	PeJP	NA	NA
+PJ087573	VEEWWW 	C48H55N9O11	933.4021	NA	PeJP	NA	NA
+PJ087574	AKMMMHW 	C41H63N11O8S3	933.4024	NA	PeJP	NA	NA
+PJ087575	SCKHHHW 	C41H55N15O9S	933.4028	NA	PeJP	NA	NA
+PJ087576	DKEEEER 	C36H59N11O18	933.404	NA	PeJP	NA	NA
+PJ087577	AAPEEMMR 	C37H63N11O13S2	933.4049	NA	PeJP	NA	NA
+PJ087578	GSSNNNRW 	C37H55N15O14	933.4053	NA	PeJP	NA	NA
+PJ087579	GGGGGGGSSRW 	C37H55N15O14	933.4054	NA	PeJP	NA	NA
+PJ087580	SPVEMWW 	C45H59N9O11S	933.4055	NA	PeJP	NA	NA
+PJ087581	PCCNRRW 	C38H59N15O9S2	933.4062	NA	PeJP	NA	NA
+PJ087582	CHFRWW 	C46H55N13O7S	933.4069	NA	PeJP	NA	NA
+PJ087583	VDKEEEW 	C41H59N9O16	933.408	NA	PeJP	NA	NA
+PJ087584	NNDEMRR 	C34H59N15O14S	933.4087	NA	PeJP	NA	NA
+PJ087585	PLQEMMW 	C42H63N9O11S2	933.4089	NA	PeJP	NA	NA
+PJ087586	ASNDRWW 	C42H55N13O12	933.4093	NA	PeJP	NA	NA
+PJ087587	GSNERWW 	C42H55N13O12	933.4094	NA	PeJP	NA	NA
+PJ087588	TCMMHRR 	C35H63N15O9S3	933.4096	NA	PeJP	NA	NA
+PJ087589	APTKEEEM 	C38H63N9O16S	933.4114	NA	PeJP	NA	NA
+PJ087590	SPLEYYY 	C46H59N7O14	933.412	NA	PeJP	NA	NA
+PJ087591	SPPLQMMM 	C39H67N9O11S3	933.4122	NA	PeJP	NA	NA
+PJ087592	APPKEMMM 	C39H67N9O11S3	933.4123	NA	PeJP	NA	NA
+PJ087593	GQQEMRW 	C39H59N13O12S	933.4127	NA	PeJP	NA	NA
+PJ087594	GGGGGGGAKMW 	C39H59N13O12S	933.4128	NA	PeJP	NA	NA
+PJ087595	PVMMFFY 	C47H63N7O9S2	933.4129	NA	PeJP	NA	NA
+PJ087596	NDKWWW 	C47H55N11O10	933.4134	NA	PeJP	NA	NA
+PJ087597	VMHHHHH 	C40H55N17O8S	933.4141	NA	PeJP	NA	NA
+PJ087598	SEEEERR 	C35H59N13O17	933.4152	NA	PeJP	NA	NA
+PJ087599	GGGGGGGGTTKE 	C35H59N13O17	933.4153	NA	PeJP	NA	NA
+PJ087600	PDEMMRR 	C36H63N13O12S2	933.4161	NA	PeJP	NA	NA
+PJ087601	VLMMMFY 	C44H67N7O9S3	933.4163	NA	PeJP	NA	NA
+PJ087602	SSSSHHHR 	C36H55N17O13	933.4166	NA	PeJP	NA	NA
+PJ087603	GVQQMWW 	C44H59N11O10S	933.4167	NA	PeJP	NA	NA
+PJ087604	GGGLQMWW 	C44H59N11O10S	933.4168	NA	PeJP	NA	NA
+PJ087605	PPYWWW 	C52H55N9O8	933.4174	NA	PeJP	NA	NA
+PJ087606	STTTTTHW 	C40H59N11O15	933.4192	NA	PeJP	NA	NA
+PJ087607	SVEEERW 	C40H59N11O15	933.4193	NA	PeJP	NA	NA
+PJ087608	CNDDRRR 	C33H59N17O13S	933.4199	NA	PeJP	NA	NA
+PJ087609	GGCDDRRR 	C33H59N17O13S	933.42	NA	PeJP	NA	NA
+PJ087610	PVDMMRW 	C41H63N11O10S2	933.4201	NA	PeJP	NA	NA
+PJ087611	SPDHHRW 	C41H55N15O11	933.4206	NA	PeJP	NA	NA
+PJ087612	APPMFWW 	C49H59N9O8S	933.4208	NA	PeJP	NA	NA
+PJ087613	LQEEEMR 	C37H63N11O15S	933.4226	NA	PeJP	NA	NA
+MJ098087	Antibiotic WS 7622; Antibiotic WS 7622D 	C45H59N9O13	933.423233	NA	MeJP	NA	NA
+PJ087614	ATLEEWW 	C45H59N9O13	933.4233	NA	PeJP	NA	NA
+PJ087615	APPTMMMR 	C38H67N11O10S3	933.4235	NA	PeJP	NA	NA
+PJ087616	CNNKHRY 	C38H59N15O11S	933.4239	NA	PeJP	NA	NA
+PJ087617	GNDMRRW 	C38H59N15O11S	933.424	NA	PeJP	NA	NA
+PJ087618	APLMMWW 	C46H63N9O8S2	933.4241	NA	PeJP	NA	NA
+PJ087619	SNRWWW 	C46H55N13O9	933.4246	NA	PeJP	NA	NA
+PJ087620	SSSNQQQR 	C34H59N15O16	933.4264	NA	PeJP	NA	NA
+PJ087621	GSSNEERR 	C34H59N15O16	933.4265	NA	PeJP	NA	NA
+PJ087622	VLQEEMW 	C42H63N9O13S	933.4266	NA	PeJP	NA	NA
+PJ087623	GGLLEEMW 	C42H63N9O13S	933.4267	NA	PeJP	NA	NA
+PJ087624	PPTFFYY 	C50H59N7O11	933.4273	NA	PeJP	NA	NA
+PJ087625	CKKMMFF 	C43H67N9O8S3	933.4275	NA	PeJP	NA	NA
+PJ087626	QQMRWW 	C43H59N13O9S	933.428	NA	PeJP	NA	NA
+PJ087627	PTTTKEEE 	C38H63N9O18	933.4291	NA	PeJP	NA	NA
+PJ087628	GTLKEEEE 	C38H63N9O18	933.4292	NA	PeJP	NA	NA
+PJ087629	GPLKEEMM 	C39H67N9O13S2	933.43	NA	PeJP	NA	NA
+PJ087630	SNDKERW 	C39H59N13O14	933.4305	NA	PeJP	NA	NA
+PJ087631	PCLLYYY 	C47H63N7O11S	933.4306	NA	PeJP	NA	NA
+PJ087632	PVVMYYY 	C47H63N7O11S	933.4307	NA	PeJP	NA	NA
+PJ087633	VNMMHFR 	C40H63N13O9S2	933.4313	NA	PeJP	NA	NA
+PJ087634	PCNKMRW 	C40H63N13O9S2	933.4314	NA	PeJP	NA	NA
+PJ087635	GNQHHRW 	C40H55N17O10	933.4318	NA	PeJP	NA	NA
+PJ087636	KMHFWW 	C48H59N11O7S	933.432	NA	PeJP	NA	NA
+PJ087637	STTTTMHR 	C36H63N13O14S	933.4338	NA	PeJP	NA	NA
+PJ087638	VDEEMRR 	C36H63N13O14S	933.4339	NA	PeJP	NA	NA
+PJ087639	TLLMMYY 	C44H67N7O11S2	933.434	NA	PeJP	NA	NA
+PJ087640	GTQKEWW 	C44H59N11O12	933.4345	NA	PeJP	NA	NA
+PJ087641	TKMMMHR 	C37H67N13O9S3	933.4347	NA	PeJP	NA	NA
+PJ087642	PCEHHRR 	C37H59N17O10S	933.4352	NA	PeJP	NA	NA
+PJ087643	SSSNNNRR 	C33H59N17O15	933.4377	NA	PeJP	NA	NA
+PJ087644	ALEEMRW 	C41H63N11O12S	933.4379	NA	PeJP	NA	NA
+PJ087645	SPPVYWW 	C49H59N9O10	933.4385	NA	PeJP	NA	NA
+PJ087646	GSPCCRRR 	C34H63N17O10S2	933.4386	NA	PeJP	NA	NA
+PJ087647	CQRRWW 	C42H59N15O8S	933.4392	NA	PeJP	NA	NA
+PJ087648	GTTLEEER 	C37H63N11O17	933.4404	NA	PeJP	NA	NA
+PJ087649	PPTTTMMR 	C38H67N11O12S2	933.4412	NA	PeJP	NA	NA
+PJ087650	GPTLEMMR 	C38H67N11O12S2	933.4413	NA	PeJP	NA	NA
+PJ087651	SSNERRW 	C38H59N15O13	933.4417	NA	PeJP	NA	NA
+PJ087652	GGGGGGGGGVFR 	C38H59N15O13	933.4418	NA	PeJP	NA	NA
+PJ087653	GLLEMWW 	C46H63N9O10S	933.4419	NA	PeJP	NA	NA
+PJ087654	GMMHFRR 	C39H63N15O8S2	933.4426	NA	PeJP	NA	NA
+PJ087655	PNHHHHR 	C39H55N19O9	933.4431	NA	PeJP	NA	NA
+PJ087656	TLKEEEW 	C42H63N9O15	933.4444	NA	PeJP	NA	NA
+PJ087657	SQQEMRR 	C35H63N15O13S	933.4451	NA	PeJP	NA	NA
+PJ087658	PLKEMMW 	C43H67N9O10S2	933.4453	NA	PeJP	NA	NA
+PJ087659	GSDKRWW 	C43H59N13O11	933.4457	NA	PeJP	NA	NA
+PJ087660	GGGAAPRYW 	C43H59N13O11	933.4458	NA	PeJP	NA	NA
+PJ087661	PVMFFFF 	C51H63N7O8S	933.4459	NA	PeJP	NA	NA
+PJ087662	GVLKEEEM 	C39H67N9O15S	933.4478	NA	PeJP	NA	NA
+PJ087663	ALLEYYY 	C47H63N7O13	933.4484	NA	PeJP	NA	NA
+PJ087664	SPPLKMMM 	C40H71N9O10S3	933.4486	NA	PeJP	NA	NA
+PJ087665	GAAPLLMMM 	C40H71N9O10S3	933.4487	NA	PeJP	NA	NA
+PJ087666	GQKEMRW 	C40H63N13O11S	933.4491	NA	PeJP	NA	NA
+PJ087667	VLMMFFF 	C48H67N7O8S2	933.4493	NA	PeJP	NA	NA
+PJ087668	TQKWWW 	C48H59N11O9	933.4498	NA	PeJP	NA	NA
+PJ087669	GSTQKEER 	C36H63N13O16	933.4516	NA	PeJP	NA	NA
+PJ087670	GSPQKMMR 	C37H67N13O11S2	933.4525	NA	PeJP	NA	NA
+PJ087671	NNNNFRR 	C37H59N17O12	933.4529	NA	PeJP	NA	NA
+PJ087672	GGNNNFRR 	C37H59N17O12	933.453	NA	PeJP	NA	NA
+PJ087673	GVQKMWW 	C45H63N11O9S	933.4531	NA	PeJP	NA	NA
+PJ087674	PLFWWW 	C53H59N9O7	933.4538	NA	PeJP	NA	NA
+PJ087675	TTLEERW 	C41H63N11O14	933.4556	NA	PeJP	NA	NA
+PJ087676	GGGGGPLKEY 	C41H63N11O14	933.4557	NA	PeJP	NA	NA
+PJ087677	SNDMRRR 	C34H63N17O12S	933.4563	NA	PeJP	NA	NA
+PJ087678	PTLMMRW 	C42H67N11O9S2	933.4565	NA	PeJP	NA	NA
+PJ087679	GSSRRWW 	C42H59N15O10	933.457	NA	PeJP	NA	NA
+PJ087680	LLMWWW 	C50H63N9O7S	933.4572	NA	PeJP	NA	NA
+PJ087681	LKEEEMR 	C38H67N11O14S	933.459	NA	PeJP	NA	NA
+PJ087682	STLLEWW 	C46H63N9O12	933.4596	NA	PeJP	NA	NA
+PJ087683	TTLLDWW 	C46H63N9O12	933.4597	NA	PeJP	NA	NA
+PJ087684	GPVLMMMR 	C39H71N11O9S3	933.4599	NA	PeJP	NA	NA
+PJ087685	GTQMRRW 	C39H63N15O10S	933.4603	NA	PeJP	NA	NA
+PJ087686	GGATMRRW 	C39H63N15O10S	933.4604	NA	PeJP	NA	NA
+PJ087687	GVLHHWW 	C47H59N13O8	933.461	NA	PeJP	NA	NA
+PJ087688	GSTTQERR 	C35H63N15O15	933.4628	NA	PeJP	NA	NA
+PJ087689	GSSDKERR 	C35H63N15O15	933.4629	NA	PeJP	NA	NA
+PJ087690	VLKEEMW 	C43H67N9O12S	933.463	NA	PeJP	NA	NA
+PJ087691	PVVFFYY 	C51H63N7O10	933.4637	NA	PeJP	NA	NA
+PJ087692	SNQHHRR 	C36H59N19O11	933.4642	NA	PeJP	NA	NA
+PJ087693	QKMRWW 	C44H63N13O8S	933.4644	NA	PeJP	NA	NA
+PJ087694	SSLLKEEE 	C39H67N9O17	933.4655	NA	PeJP	NA	NA
+PJ087695	SPVLKEMM 	C40H71N9O12S2	933.4664	NA	PeJP	NA	NA
+PJ087696	STQKERW 	C40H63N13O13	933.4669	NA	PeJP	NA	NA
+PJ087697	VVLMFYY 	C48H67N7O10S	933.467	NA	PeJP	NA	NA
+PJ087698	PPMMFRR 	C41H67N13O8S2	933.4677	NA	PeJP	NA	NA
+PJ087699	GNKHHRW 	C41H59N17O9	933.4682	NA	PeJP	NA	NA
+PJ087700	TLEEMRR 	C37H67N13O13S	933.4702	NA	PeJP	NA	NA
+PJ087701	GGKKEEMR 	C37H67N13O13S	933.4703	NA	PeJP	NA	NA
+PJ087702	GTKKEWW 	C45H63N11O11	933.4709	NA	PeJP	NA	NA
+PJ087703	PLMMMRR 	C38H71N13O8S3	933.4711	NA	PeJP	NA	NA
+PJ087704	GTCRRRW 	C38H63N17O9S	933.4716	NA	PeJP	NA	NA
+PJ087705	LHHRWW 	C46H59N15O7	933.4722	NA	PeJP	NA	NA
+2604	tachykinin family from white shrimp Penaeus vannam	APSGFLGMR~	933.4724	antibacterial	Inhouse_peptide	NA	peptide
+PJ087706	GSSSERRR 	C34H63N17O14	933.4741	NA	PeJP	NA	NA
+PJ087707	SLLEMRW 	C42H67N11O11S	933.4743	NA	PeJP	NA	NA
+PJ087708	GPLLYWW 	C50H63N9O9	933.4749	NA	PeJP	NA	NA
+PJ087709	GQMMRRR 	C35H67N17O9S2	933.475	NA	PeJP	NA	NA
+PJ087710	CKRRWW 	C43H63N15O7S	933.4756	NA	PeJP	NA	NA
+PJ087711	STTLQQKE 	C38H67N11O16	933.4767	NA	PeJP	NA	NA
+PJ087712	SSTLLEER 	C38H67N11O16	933.4768	NA	PeJP	NA	NA
+PJ087713	AALLEMMR 	C39H71N11O11S2	933.4776	NA	PeJP	NA	NA
+PJ087714	GGGGALLKMM 	C39H71N11O11S2	933.4777	NA	PeJP	NA	NA
+PJ087715	SSDKRRW 	C39H63N15O12	933.4781	NA	PeJP	NA	NA
+PJ087716	SVLLMWW 	C47H67N9O9S	933.4783	NA	PeJP	NA	NA
+PJ087717	SSSLLLEW 	C43H67N9O14	933.4808	NA	PeJP	NA	NA
+PJ087718	SQKEMRR 	C36H67N15O12S	933.4815	NA	PeJP	NA	NA
+PJ087719	LLLQMMW 	C44H71N9O9S2	933.4817	NA	PeJP	NA	NA
+PJ087720	GTTKRWW 	C44H63N13O10	933.4821	NA	PeJP	NA	NA
+PJ087721	SSSSPLLLM 	C40H71N9O14S	933.4841	NA	PeJP	NA	NA
+PJ087722	ATLLKEEM 	C40H71N9O14S	933.4842	NA	PeJP	NA	NA
+PJ087723	SLLLYYY 	C48H67N7O12	933.4848	NA	PeJP	NA	NA
+PJ087724	APLLKMMM 	C41H75N9O9S3	933.485	NA	PeJP	NA	NA
+PJ087725	GKKEMRW 	C41H67N13O10S	933.4855	NA	PeJP	NA	NA
+PJ087726	TKKWWW 	C49H63N11O8	933.4861	NA	PeJP	NA	NA
+PJ087727	PPVLHWW 	C49H63N11O8	933.4862	NA	PeJP	NA	NA
+PJ087728	GSTKKEER 	C37H67N13O15	933.488	NA	PeJP	NA	NA
+PJ087729	VLEMMRR 	C38H71N13O10S2	933.4889	NA	PeJP	NA	NA
+PJ087730	SSSRRRW 	C38H63N17O11	933.4893	NA	PeJP	NA	NA
+PJ087731	GGGEFRRR 	C38H63N17O11	933.4894	NA	PeJP	NA	NA
+PJ087732	GVKKMWW 	C46H67N11O8S	933.4895	NA	PeJP	NA	NA
+PJ087733	SKKKEEW 	C42H67N11O13	933.492	NA	PeJP	NA	NA
+PJ087734	STQMRRR 	C35H67N17O11S	933.4927	NA	PeJP	NA	NA
+PJ087735	VVLMMRW 	C43H71N11O8S2	933.4929	NA	PeJP	NA	NA
+PJ087736	AAQFRRW 	C43H63N15O9	933.4934	NA	PeJP	NA	NA
+PJ087737	ATTLLEMR 	C39H71N11O13S	933.4954	NA	PeJP	NA	NA
+PJ087738	PVLKEYW 	C47H67N9O11	933.496	NA	PeJP	NA	NA
+PJ087739	GGLLLEFW 	C47H67N9O11	933.4961	NA	PeJP	NA	NA
+PJ087740	GTKMRRW 	C40H67N15O9S	933.4967	NA	PeJP	NA	NA
+PJ087741	GSTTKERR 	C36H67N15O14	933.4992	NA	PeJP	NA	NA
+PJ087742	GTTLLLMW 	C44H71N9O11S	933.4994	NA	PeJP	NA	NA
+PJ087743	VVLFFFY 	C52H67N7O9	933.5001	NA	PeJP	NA	NA
+PJ087744	SNKHHRR 	C37H63N19O10	933.5006	NA	PeJP	NA	NA
+PJ087745	KKMRWW 	C45H67N13O7S	933.5008	NA	PeJP	NA	NA
+PJ087746	TTTLLKEE 	C40H71N9O16	933.5019	NA	PeJP	NA	NA
+PJ087747	GLLLKEMM 	C41H75N9O11S2	933.5028	NA	PeJP	NA	NA
+PJ087748	STKKERW 	C41H67N13O12	933.5032	NA	PeJP	NA	NA
+PJ087749	TTDKKRW 	C41H67N13O12	933.5033	NA	PeJP	NA	NA
+PJ087750	STCRRRR 	C34H67N19O10S	933.5039	NA	PeJP	NA	NA
+PJ087751	NFRRRW 	C42H63N17O8	933.5046	NA	PeJP	NA	NA
+PJ087752	DKKKEMR 	C38H71N13O12S	933.5066	NA	PeJP	NA	NA
+PJ087753	SSLKKWW 	C46H67N11O10	933.5073	NA	PeJP	NA	NA
+PJ087754	VVMHHRR 	C39H67N17O8S	933.508	NA	PeJP	NA	NA
+PJ087755	GSTTTRRR 	C35H67N17O13	933.5105	NA	PeJP	NA	NA
+PJ087756	TLQKKMW 	C43H71N11O10S	933.5106	NA	PeJP	NA	NA
+PJ087757	VDKKKMW 	C43H71N11O10S	933.5107	NA	PeJP	NA	NA
+PJ087758	GLLLFWW 	C51H67N9O8	933.5113	NA	PeJP	NA	NA
+PJ087759	TTTTLLER 	C39H71N11O15	933.5131	NA	PeJP	NA	NA
+PJ087760	SSLDKKKE 	C39H71N11O15	933.5132	NA	PeJP	NA	NA
+PJ087761	GTLLLMMR 	C40H75N11O10S2	933.514	NA	PeJP	NA	NA
+PJ087762	STTKRRW 	C40H67N15O11	933.5145	NA	PeJP	NA	NA
+PJ087763	PLLKMFW 	C48H71N9O8S	933.5147	NA	PeJP	NA	NA
+PJ087764	STTTLLLW 	C44H71N9O13	933.5172	NA	PeJP	NA	NA
+CJneg0658	Androsterone glucuronide [(2M-H)]- (13C)	C4913CH75O16	933.517225	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0658	Androsterone glucuronide [(2M-H)]- (13C)	C4913CH75O16	933.517225	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ087765	SKKEMRR 	C37H71N15O11S	933.5179	NA	PeJP	NA	NA
+PJ087766	LLLKMMW 	C45H75N9O8S2	933.518	NA	PeJP	NA	NA
+PJ087767	GPKKRYW 	C45H67N13O9	933.5185	NA	PeJP	NA	NA
+PJ087768	STLLLKEM 	C41H75N9O13S	933.5205	NA	PeJP	NA	NA
+PJ087769	SVKKMRW 	C42H71N13O9S	933.5219	NA	PeJP	NA	NA
+PJ087770	SSSLKKER 	C38H71N13O14	933.5244	NA	PeJP	NA	NA
+PJ087771	LQKKMMR 	C39H75N13O9S2	933.5253	NA	PeJP	NA	NA
+PJ087772	GVQRRRY 	C39H67N17O10	933.5257	NA	PeJP	NA	NA
+PJ087773	GTTTLKKW 	C43H71N11O12	933.5284	NA	PeJP	NA	NA
+PJ087774	STKMRRR 	C36H71N17O10S	933.5291	NA	PeJP	NA	NA
+PJ087775	AKKKHHW 	C44H67N15O8	933.5297	NA	PeJP	NA	NA
+PJ087776	AAKFRRW 	C44H67N15O8	933.5298	NA	PeJP	NA	NA
+PJ087777	STTLLLMR 	C40H75N11O12S	933.5318	NA	PeJP	NA	NA
+PJ087778	VLLLQYW 	C48H71N9O10	933.5324	NA	PeJP	NA	NA
+PJ087779	PCKKFRR 	C41H71N15O8S	933.5331	NA	PeJP	NA	NA
+PJ087780	SSSTLKRR 	C37H71N15O13	933.5356	NA	PeJP	NA	NA
+PJ087781	GPLLLKMY 	C45H75N9O10S	933.5358	NA	PeJP	NA	NA
+PJ087782	CLKKMRR 	C38H75N15O8S2	933.5365	NA	PeJP	NA	NA
+PJ087783	QRRRRY 	C38H67N19O9	933.537	NA	PeJP	NA	NA
+PJ087784	SSSTTLLLL 	C41H75N9O15	933.5383	NA	PeJP	NA	NA
+PJ087785	SVLLLKMM 	C42H79N9O10S2	933.5392	NA	PeJP	NA	NA
+PJ087786	VVLERRY 	C42H71N13O11	933.5396	NA	PeJP	NA	NA
+PJ087787	GGGALLKRY 	C42H71N13O11	933.5397	NA	PeJP	NA	NA
+PJ087788	GTTLKKMR 	C39H75N13O11S	933.543	NA	PeJP	NA	NA
+PJ087789	ALLLRYW 	C47H71N11O9	933.5437	NA	PeJP	NA	NA
+PJ087790	TLKKKMW 	C44H75N11O9S	933.547	NA	PeJP	NA	NA
+PJ087791	GPHRRRR 	C37H67N21O8	933.5482	NA	PeJP	NA	NA
+PJ087792	STTLKKKE 	C40H75N11O14	933.5495	NA	PeJP	NA	NA
+3362	NA	LKVGVKQY	933.55	celiac toxic	Inhouse_peptide	NA	peptide
+PJ087793	GVLKKKMM 	C41H79N11O9S2	933.5504	NA	PeJP	NA	NA
+PJ087794	SPKKRRY 	C41H71N15O10	933.5509	NA	PeJP	NA	NA
+PJ087795	ATLLLLQY 	C45H75N9O12	933.5535	NA	PeJP	NA	NA
+PJ087796	GVLLLKEY 	C45H75N9O12	933.5536	NA	PeJP	NA	NA
+PJ087797	GSCKKKKR 	C38H75N15O10S	933.5543	NA	PeJP	NA	NA
+PJ087798	GLKKFRW 	C46H71N13O8	933.5549	NA	PeJP	NA	NA
+PJ087799	VLLMFRR 	C43H75N13O8S	933.5583	NA	PeJP	NA	NA
+PJ087800	STTTLKKR 	C39H75N13O13	933.5608	NA	PeJP	NA	NA
+PJ087801	LKKKMMR 	C40H79N13O8S2	933.5616	NA	PeJP	NA	NA
+3668	NA	KKFDLRK	933.5619	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ087802	GVKRRRY 	C40H71N17O9	933.5621	NA	PeJP	NA	NA
+PJ087803	LLLKERY 	C44H75N11O11	933.5648	NA	PeJP	NA	NA
+PJ087804	SSLLKKKM 	C41H79N11O11S	933.5682	NA	PeJP	NA	NA
+PJ087805	VLLLKYW 	C49H75N9O9	933.5688	NA	PeJP	NA	NA
+PJ087806	GLLLLKMF 	C46H79N9O9S	933.5722	NA	PeJP	NA	NA
+PJ087807	KRRRRY 	C39H71N19O8	933.5733	NA	PeJP	NA	NA
+PJ087808	PPPRRRR 	C39H71N19O8	933.5734	NA	PeJP	NA	NA
+PJ087809	TLLLRRY 	C43H75N13O10	933.576	NA	PeJP	NA	NA
+PJ087810	GSKKKKKM 	C40H79N13O10S	933.5794	NA	PeJP	NA	NA
+PJ087811	VVKKKFW 	C48H75N11O8	933.58	NA	PeJP	NA	NA
+PJ087812	ALKKRRY 	C42H75N15O9	933.5873	NA	PeJP	NA	NA
+PJ087813	ATLLLLKY 	C46H79N9O11	933.5899	NA	PeJP	NA	NA
+PJ087814	SPPPVVLLL 	C46H79N9O11	933.59	NA	PeJP	NA	NA
+PJ087815	SSTKKKKK 	C40H79N13O12	933.5972	NA	PeJP	NA	NA
+PJ087816	PLKKHRR 	C41H75N17O8	933.5985	NA	PeJP	NA	NA
+PJ087817	AALLKKKY 	C45H79N11O10	933.6012	NA	PeJP	NA	NA
+PJ087818	VLKKKRY 	C44H79N13O9	933.6124	NA	PeJP	NA	NA
+PJ087819	GPPVLLLLL 	C47H83N9O10	933.6263	NA	PeJP	NA	NA
+PJ087820	PPLLLLLR 	C46H83N11O9	933.6376	NA	PeJP	NA	NA
+PJ087821	KKKKKKF 	C45H83N13O8	933.6488	NA	PeJP	NA	NA
+MJ098088	Bastadin 4; 16-Debromo 	C34H26Br4N4O8	933.848414	NA	MeJP	NA	NA
+MJ098089	Bastadin 4; 30-Debromo 	C34H26Br4N4O8	933.848414	NA	MeJP	NA	NA
+C10211	Alnusiin	C41H26O26	934.0712	NA	KEGG	NA	NA
+MJ098090	Alnusiin 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098091	Alnusnin B 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098092	Calamansanin; 1,6-Bis-O-degalloyl 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098093	Grandinin; 1-Deglycosyl, 1?-hydroxy 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098094	Grandinin; 1-Deglycosyl, 1?-hydroxy 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098095	Praecoxin C; 1-O-Degalloyl 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098096	Punicalin; 2-O-(3,4,5-Trihydroxybenzoyl) 	C41H26O26	934.071231	NA	MeJP	NA	NA
+MJ098097	Punicalin; 3-O-(3,4,5-Trihydroxybenzoyl) 	C41H26O26	934.071231	NA	MeJP	NA	NA
+PJ087822	GCCCCCNDD 	C29H46N10O15S5	934.1748	NA	PeJP	NA	NA
+MJ098098	Sennidin, 5,5'-Diglucosyl, oxalyl 	C44H38O23	934.180387	NA	MeJP	NA	NA
+PJ087823	SPCCCCCCN 	C30H50N10O12S6	934.1934	NA	PeJP	NA	NA
+PJ087824	CCCDDDMM 	C31H50N8O15S5	934.2	NA	PeJP	NA	NA
+C12450	Pseudoecgonyl-CoA	C30H49N8O18P3S	934.2098	NA	KEGG	NA	NA
+HMDB06403	Pseudoecgonyl-CoA	C30H49N8O18P3S	934.209839	NA	HMDB2010	NA	NA
+HMDB06403	Pseudoecgonyl-CoA	C30H49N8O18P3S	934.20984	http://www.hmdb.ca/metabolites/HMDB06403	HMDB	NA	NA
+HMDB06403	Pseudoecgonyl-CoA	C30H49N8O18P3S	934.20984	HMDB06403	PFEM_hmdb_metabocards_official	NA	NA
+PJ087825	GSCCCCNDM 	C30H50N10O14S5	934.2112	NA	PeJP	NA	NA
+PJ087826	CCCDDDDF 	C34H46N8O17S3	934.2144	NA	PeJP	NA	NA
+PJ087827	CCCCDDHH 	C32H46N12O13S4	934.2191	NA	PeJP	NA	NA
+PJ087828	SCCCCCQW 	C34H50N10O11S5	934.2264	NA	PeJP	NA	NA
+PJ087829	GGTCCCCCW 	C34H50N10O11S5	934.2265	NA	PeJP	NA	NA
+PJ087830	SSSCCCCNE 	C30H50N10O16S4	934.2289	NA	PeJP	NA	NA
+PJ087831	GGSSSCCCCE 	C30H50N10O16S4	934.229	NA	PeJP	NA	NA
+PJ087832	CCCCNQMM 	C31H54N10O11S6	934.2298	NA	PeJP	NA	NA
+PJ087833	SCCDDDDY 	C34H46N8O19S2	934.2321	NA	PeJP	NA	NA
+PJ087834	PCCCCDEY 	C35H50N8O14S4	934.233	NA	PeJP	NA	NA
+PJ087835	SCCDDMMM 	C32H54N8O14S5	934.2363	NA	PeJP	NA	NA
+FL3FACDS0019	Isoorientin 4'-O-glucoside-2''-(4-glucosylcaffeate)	C42H46O24	934.2379	57186-28-4	knapsack	NA	NA
+FL5FAAGL0094	Kaempferol 3-(2'''-(E)-caffeylsophoroside)-7-glucoside	C42H46O24	934.2379	151649-65-9	knapsack	NA	NA
+FL5FACGL0066	Quercetin 3-(6''''-p-coumarylsophorotrioside)	C42H46O24	934.2379	167638-65-5	knapsack	NA	NA
+FL5FACGL0072	Quercetin 3-(2'''-ferulylsambubioside)-7-glucoside	C42H46O24	934.2379	162556-35-6	knapsack	NA	NA
+FL5FACGL0073	Quercetin 3-p-coumarylsophoroside-7-glucoside	C42H46O24	934.2379	162556-36-7	knapsack	NA	NA
+FL5FACGL0079	Quercetin 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside	C42H46O24	934.2379	352644-37-2	knapsack	NA	NA
+FL5FACGS0116	Quercetin 3-(6''-caffeoylsophoroside)-7-rhamnoside;7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5-hydroxy-4H-1-benzopyran-4-one	C42H46O24	934.2379	342620-93-3	knapsack	NA	NA
+FL5FACGS0118	Quercetin 3-[(6''-feruloylglucosyl)-(1->2)-beta-arabinopyranoside]-7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-L-arabinopyranosyl]oxy]-4H-1-benzopyran-4-one	C42H46O24	934.2379	274931-29-2	knapsack	NA	NA
+MJ098099	3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxycinnamoyl-(??)-sophorotrioside] 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098100	Astragalin; 3-O-(3,4-Dihydroxycinnamoylsophoroside), 7-glucoside 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098101	Isoorientin; 2''-O-[?-D-Glucopyranosyl-(1?4)-3,4-dihydroxy-E-cinnamoyl], 4'-O-?-D-glucopyranoside 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098102	Isoquercitrin; 7-O-[3,4-Dihydroxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranoside] (E-) 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098103	Quercimeritrin; 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098104	Quercimeritrin; 3-O-?-L-Rhamnopyranoside, 4'-O-[3,4-dihydroxycinnamoyl-(??)-?-D-galactopyranoside] 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098105	Vincetoxicoside B; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H46O24	934.237902	NA	MeJP	NA	NA
+MJ098106	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,3'-Di-O-?-D-glucopyranoside, 5-O-[4-hydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O24(+)	934.237902	NA	MeJP	NA	NA
+MJ098107	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?3)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C42H47O24(+)	934.237902	NA	MeJP	NA	NA
+MJ098108	3,3',4',5,7-Pentahydroxyflavylium(1+); 7-O-[(3,4-Dihydroxy-E-cinnamoyl)-(?6)-?-D-glucopyranoside], 3,3'-di-O-?-D-glucopyranoside 	C42H47O24(+)	934.237902	NA	MeJP	NA	NA
+PJ087836	CCCCCNMR 	C30H54N12O10S6	934.2411	NA	PeJP	NA	NA
+PJ087837	GSSSCCCCW 	C34H50N10O13S4	934.2442	NA	PeJP	NA	NA
+PJ087838	GSSSSSCCCD 	C30H50N10O18S3	934.2467	NA	PeJP	NA	NA
+PJ087839	GSSCCCNMM 	C31H54N10O13S5	934.2476	NA	PeJP	NA	NA
+PJ087840	GCCDDEMY 	C35H50N8O16S3	934.2507	NA	PeJP	NA	NA
+PJ087841	PCCCCEMF 	C36H54N8O11S5	934.2516	NA	PeJP	NA	NA
+PJ087842	CCNNDDDH 	C32H46N12O17S2	934.2546	NA	PeJP	NA	NA
+PJ087843	GCCEMMMM 	C33H58N8O11S6	934.255	NA	PeJP	NA	NA
+PJ087844	SCCCDMHH 	C33H50N12O12S4	934.2554	NA	PeJP	NA	NA
+PJ087845	GSTCCCCCR 	C30H54N12O12S5	934.2588	NA	PeJP	NA	NA
+FL5FAAGL0054	Kaempferol 3-sophorotrioside-7-glucoside	C39H50O26	934.25903	-	knapsack	NA	NA
+FL5FAAGL0060	Kaempferol 3-gentiobioside-7,4'-diglucoside	C39H50O26	934.25903	106900-15-6	knapsack	NA	NA
+FL5FAAGS0099	Kaempferol 3-sophoroside-7-cellobioside;3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C39H50O26	934.25903	220342-42-7	knapsack	NA	NA
+FL5FACGL0052	Quercetin 3-rutinoside-7,3'-diglucoside	C39H50O26	934.25903	75213-00-2	knapsack	NA	NA
+MJ098109	3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098110	Astragalin; 6''-?-D-Glucopyranosyl, 4',7-di-O-?-D-glucopyranoside 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098111	Populnin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098112	Populnin; 4''-O-?-D-Glucopyranosyl, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098113	Quercimeritrin; 3-O-(Rhamnosylglucosylglucoside) 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098114	Rutin; 3',7-Di-O-?-D-glucopyranoside 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098115	Rutin; 4'-O-[?-D-Glucopyranosyl-(1??)-?-D-glucopyranoside] 	C39H50O26	934.259031	NA	MeJP	NA	NA
+MJ098116	Vincetoxicoside B; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C39H50O26	934.259031	NA	MeJP	NA	NA
+PJ087846	GCCCCNFW 	C38H50N10O10S4	934.2595	NA	PeJP	NA	NA
+PJ087847	SCDDDDEH 	C33H46N10O20S	934.2611	NA	PeJP	NA	NA
+PJ087848	SCCCNNEY 	C34H50N10O15S3	934.262	NA	PeJP	NA	NA
+PJ087849	SCCCCCKW 	C35H54N10O10S5	934.2628	NA	PeJP	NA	NA
+PJ087850	SSSSCCCQM 	C31H54N10O15S4	934.2653	NA	PeJP	NA	NA
+PJ087851	CCDDMYW 	C39H50N8O13S3	934.266	NA	PeJP	NA	NA
+PJ087852	CCCCNKMM 	C32H58N10O10S6	934.2662	NA	PeJP	NA	NA
+PJ087853	PDDDDDDE 	C34H46N8O23	934.2676	NA	PeJP	NA	NA
+PJ087854	SSCDDDMY 	C35H50N8O18S2	934.2685	NA	PeJP	NA	NA
+PJ087855	SPCCCEMY 	C36H54N8O13S4	934.2694	NA	PeJP	NA	NA
+PJ087856	CCMMMMW 	C37H58N8O8S6	934.2702	NA	PeJP	NA	NA
+PJ087857	SSCDMMMM 	C33H58N8O13S5	934.2727	NA	PeJP	NA	NA
+PJ087858	GSPCCCNDH 	C33H50N12O14S3	934.2732	NA	PeJP	NA	NA
+PJ087859	ACCCMMHH 	C34H54N12O9S5	934.2741	NA	PeJP	NA	NA
+PJ087860	SSSSCCCCR 	C30H54N12O14S4	934.2766	NA	PeJP	NA	NA
+PJ087861	GSCCCNYW 	C38H50N10O12S3	934.2772	NA	PeJP	NA	NA
+PJ087862	GSSSCCNDY 	C34H50N10O17S2	934.2797	NA	PeJP	NA	NA
+PJ087863	GCCNNMMY 	C35H54N10O12S4	934.2806	NA	PeJP	NA	NA
+PJ087864	GSSSSSSCCM 	C31H54N10O17S3	934.2831	NA	PeJP	NA	NA
+PJ087865	GPCCDDYY 	C39H50N8O15S2	934.2837	NA	PeJP	NA	NA
+PJ087866	GCCDDEFF 	C39H50N8O15S2	934.2838	NA	PeJP	NA	NA
+PJ087867	GSTCCCCKM 	C32H58N10O12S5	934.284	NA	PeJP	NA	NA
+PJ087868	CCCNNNQH 	C32H50N14O13S3	934.2844	NA	PeJP	NA	NA
+PJ087869	GGGGGGCCCQH 	C32H50N14O13S3	934.2845	NA	PeJP	NA	NA
+PJ087870	CCDMMFW 	C40H54N8O10S4	934.2846	NA	PeJP	NA	NA
+PJ087871	GSCDEMMY 	C36H54N8O15S3	934.2871	NA	PeJP	NA	NA
+PJ087872	GPCCMMMY 	C37H58N8O10S5	934.288	NA	PeJP	NA	NA
+PJ087873	GCCCEHHF 	C37H50N12O11S3	934.2885	NA	PeJP	NA	NA
+PJ087874	NNNNDDDD 	C32H46N12O21	934.2901	NA	PeJP	NA	NA
+PJ087875	SCNNDDMH 	C33H50N12O16S2	934.291	NA	PeJP	NA	NA
+PJ087876	GTCMMMMM 	C34H62N8O10S6	934.2914	NA	PeJP	NA	NA
+PJ087877	GCCCCQRY 	C34H54N12O11S4	934.2918	NA	PeJP	NA	NA
+PJ087878	GDDDDDHF 	C37H46N10O19	934.2941	NA	PeJP	NA	NA
+PJ087879	CDDEMHW 	C38H50N10O14S2	934.295	NA	PeJP	NA	NA
+PJ087880	SSDDDEMH 	C34H50N10O19S	934.2975	NA	PeJP	NA	NA
+PJ087881	SSCCNQMY 	C35H54N10O14S3	934.2983	NA	PeJP	NA	NA
+PJ087882	GGGGSTCCMY 	C35H54N10O14S3	934.2984	NA	PeJP	NA	NA
+PJ087883	GCDDDHHH 	C35H46N14O15S	934.2988	NA	PeJP	NA	NA
+PJ087884	CCDDFFW 	C43H50N8O12S2	934.299	NA	PeJP	NA	NA
+PJ087885	SSSSSSSTCC 	C31H54N10O19S2	934.3008	NA	PeJP	NA	NA
+PJ087886	NDDDMYY 	C39H50N8O17S	934.3015	NA	PeJP	NA	NA
+PJ087887	SSSSCCCKM 	C32H58N10O14S4	934.3017	NA	PeJP	NA	NA
+PJ087888	GSSCCNNNH 	C32H50N14O15S2	934.3022	NA	PeJP	NA	NA
+PJ087889	SCDMMYW 	C40H54N8O12S3	934.3024	NA	PeJP	NA	NA
+PJ087890	PCCCCNHR 	C33H54N14O10S4	934.3031	NA	PeJP	NA	NA
+PJ087891	CCCHHFW 	C41H50N12O8S3	934.3037	NA	PeJP	NA	NA
+PJ087892	SPDDDEEE 	C35H50N8O22	934.304	NA	PeJP	NA	NA
+PJ087893	SSSDDMMY 	C36H54N8O17S2	934.3049	NA	PeJP	NA	NA
+PJ087894	NDMMMMY 	C37H58N8O12S4	934.3057	NA	PeJP	NA	NA
+PJ087895	GSCCNEHW 	C37H50N12O13S2	934.3062	NA	PeJP	NA	NA
+PJ087896	GSSSCNDEH 	C33H50N12O18S	934.3087	NA	PeJP	NA	NA
+PJ087897	SSSMMMMM 	C34H62N8O12S5	934.3091	NA	PeJP	NA	NA
+PJ087898	SSCCCNRY 	C34H54N12O13S3	934.3096	NA	PeJP	NA	NA
+MJ098117	Diospyrol; 8,8'-Di-O-(6-?-D-apiofuranosyl-?-D-glucopyranoside) 	C44H54O22	934.310673	NA	MeJP	NA	NA
+PJ087899	GPCNDDEW 	C38H50N10O16S	934.3127	NA	PeJP	NA	NA
+PJ087900	GGGPCDDEW 	C38H50N10O16S	934.3128	NA	PeJP	NA	NA
+PJ087901	GCCNNMFF 	C39H54N10O11S3	934.3136	NA	PeJP	NA	NA
+PJ087902	GNNDEEEE 	C34H50N10O21	934.3152	NA	PeJP	NA	NA
+PJ087903	GGGNDEEEE 	C34H50N10O21	934.3153	NA	PeJP	NA	NA
+PJ087904	GSSSSCNMY 	C35H54N10O16S2	934.3161	NA	PeJP	NA	NA
+PJ087905	ACDDYYW 	C43H50N8O14S	934.3167	NA	PeJP	NA	NA
+PJ087906	GCDEYYW 	C43H50N8O14S	934.3168	NA	PeJP	NA	NA
+PJ087907	CCEMMRY 	C36H58N10O11S4	934.317	NA	PeJP	NA	NA
+PJ087908	SPCCDHHH 	C36H50N14O12S2	934.3175	NA	PeJP	NA	NA
+PJ087909	GSSDDEYY 	C39H50N8O19	934.3193	NA	PeJP	NA	NA
+PJ087910	CNNNNNNE 	C32H50N14O17S	934.3199	NA	PeJP	NA	NA
+PJ087911	GGGGCNNNNE 	C32H50N14O17S	934.32	NA	PeJP	NA	NA
+PJ087912	GSPCDMYY 	C40H54N8O14S2	934.3201	NA	PeJP	NA	NA
+PJ087913	GCCNDMHR 	C33H54N14O12S3	934.3208	NA	PeJP	NA	NA
+PJ087914	ACMMMYW 	C41H58N8O9S4	934.321	NA	PeJP	NA	NA
+PJ087915	SCCNHWW 	C41H50N12O10S2	934.3215	NA	PeJP	NA	NA
+PJ087916	GPDEEEEM 	C36H54N8O19S	934.3226	NA	PeJP	NA	NA
+PJ087917	GSSEMMMY 	C37H58N8O14S3	934.3235	NA	PeJP	NA	NA
+PJ087918	SSSCNDHW 	C37H50N12O15S	934.324	NA	PeJP	NA	NA
+PJ087919	NMMMMMF 	C38H62N8O9S5	934.3244	NA	PeJP	NA	NA
+PJ087920	CNNMMHW 	C38H54N12O10S3	934.3248	NA	PeJP	NA	NA
+PJ087921	GGGGCMMHW 	C38H54N12O10S3	934.3249	NA	PeJP	NA	NA
+PJ087922	GNDDDDER 	C33H50N12O20	934.3265	NA	PeJP	NA	NA
+PJ087923	SSNNDMMH 	C34H54N12O15S2	934.3273	NA	PeJP	NA	NA
+PJ087924	GGGGSSDMMH 	C34H54N12O15S2	934.3274	NA	PeJP	NA	NA
+PJ087925	PCNDDWW 	C42H50N10O13S	934.328	NA	PeJP	NA	NA
+PJ087926	GCCCCKRY 	C35H58N12O10S4	934.3282	NA	PeJP	NA	NA
+PJ087927	GCCNQHHH 	C35H50N16O11S2	934.3287	NA	PeJP	NA	NA
+PJ087928	NNDEEEW 	C38H50N10O18	934.3305	NA	PeJP	NA	NA
+PJ087929	CNNQMYY 	C39H54N10O13S2	934.3313	NA	PeJP	NA	NA
+PJ087930	SDEMMHW 	C39H54N10O13S2	934.3314	NA	PeJP	NA	NA
+PJ087931	CDYYWW 	C47H50N8O11S	934.332	NA	PeJP	NA	NA
+PJ087932	PCMMMHW 	C40H58N10O8S4	934.3322	NA	PeJP	NA	NA
+PJ087933	SSSSSSCQY 	C35H54N10O18S	934.3338	NA	PeJP	NA	NA
+PJ087934	GGSSSSSTCY 	C35H54N10O18S	934.3339	NA	PeJP	NA	NA
+PJ087935	SSDDYYW 	C43H50N8O16	934.3345	NA	PeJP	NA	NA
+PJ087936	SSCCNKMY 	C36H58N10O13S3	934.3347	NA	PeJP	NA	NA
+PJ087937	GGGGPPCEMM 	C36H58N10O13S3	934.3348	NA	PeJP	NA	NA
+PJ087938	GCNNNNNW 	C36H50N14O14S	934.3352	NA	PeJP	NA	NA
+PJ087939	PTCCYYW 	C44H54N8O11S2	934.3354	NA	PeJP	NA	NA
+PJ087940	CCCQHRW 	C37H54N14O9S3	934.3361	NA	PeJP	NA	NA
+PJ087941	GSSNNNNND 	C32H50N14O19	934.3377	NA	PeJP	NA	NA
+PJ087942	PDEEEMW 	C40H54N8O16S	934.3379	NA	PeJP	NA	NA
+PJ087943	SSCCNEHR 	C33H54N14O14S2	934.3386	NA	PeJP	NA	NA
+PJ087944	SSMMMYW 	C41H58N8O11S3	934.3387	NA	PeJP	NA	NA
+PJ087945	GAPCMMYY 	C41H58N8O11S3	934.3388	NA	PeJP	NA	NA
+PJ087946	CNNDHFW 	C41H50N12O12S	934.3392	NA	PeJP	NA	NA
+PJ087947	AAEEEEEE 	C36H54N8O21	934.3404	NA	PeJP	NA	NA
+PJ087948	SSSTEMMY 	C37H58N8O16S2	934.3412	NA	PeJP	NA	NA
+PJ087949	SPPDEEMM 	C37H58N8O16S2	934.3413	NA	PeJP	NA	NA
+PJ087950	NDDDDRW 	C37H50N12O17	934.3417	NA	PeJP	NA	NA
+PJ087951	GGGGGGGSDEW 	C37H50N12O17	934.3418	NA	PeJP	NA	NA
+PJ087952	TQMMMMY 	C38H62N8O11S4	934.3421	NA	PeJP	NA	NA
+PJ087953	GSSCQMHW 	C38H54N12O12S2	934.3426	NA	PeJP	NA	NA
+PJ087954	SPCNDDER 	C34H54N12O17S	934.3451	NA	PeJP	NA	NA
+PJ087955	ANDDEWW 	C42H50N10O15	934.3457	NA	PeJP	NA	NA
+PJ087956	GNDEEWW 	C42H50N10O15	934.3458	NA	PeJP	NA	NA
+PJ087957	DDMMMHR 	C35H58N12O12S3	934.346	NA	PeJP	NA	NA
+PJ087958	SSCNNHHH 	C35H50N16O13S	934.3464	NA	PeJP	NA	NA
+PJ087959	GGGGSSCHHH 	C35H50N16O13S	934.3465	NA	PeJP	NA	NA
+PJ087960	GSPPCCWW 	C43H54N10O10S2	934.3466	NA	PeJP	NA	NA
+PJ087961	GSPNDEMW 	C39H54N10O15S	934.3491	NA	PeJP	NA	NA
+PJ087962	AEMMMHW 	C40H58N10O10S3	934.35	NA	PeJP	NA	NA
+PJ087963	SCEHHHW 	C40H50N14O11S	934.3505	NA	PeJP	NA	NA
+PJ087964	CMFYWW 	C48H54N8O8S2	934.3506	NA	PeJP	NA	NA
+PJ087965	GSSSSSSSSY 	C35H54N10O20	934.3516	NA	PeJP	NA	NA
+PJ087966	GSSSTCCKY 	C36H58N10O15S2	934.3525	NA	PeJP	NA	NA
+PJ087967	SSSDEHHH 	C36H50N14O16	934.353	NA	PeJP	NA	NA
+PJ087968	GSEMYYW 	C44H54N8O13S	934.3531	NA	PeJP	NA	NA
+PJ087969	GGDDMFFF 	C44H54N8O13S	934.3532	NA	PeJP	NA	NA
+PJ087970	TCMMMRY 	C37H62N10O10S4	934.3534	NA	PeJP	NA	NA
+PJ087971	GSSCCHRW 	C37H54N14O11S2	934.3538	NA	PeJP	NA	NA
+PJ087972	GGGAPPCCHH 	C37H54N14O11S2	934.3539	NA	PeJP	NA	NA
+PJ087973	ACMMFFW 	C45H58N8O8S3	934.354	NA	PeJP	NA	NA
+PJ087974	GSSTEEYY 	C40H54N8O18	934.3556	NA	PeJP	NA	NA
+PJ087975	VDEEEEW 	C40H54N8O18	934.3557	NA	PeJP	NA	NA
+PJ087976	GSSSSCDHR 	C33H54N14O16S	934.3563	NA	PeJP	NA	NA
+PJ087977	GGGGGNDDMR 	C33H54N14O16S	934.3564	NA	PeJP	NA	NA
+PJ087978	AQEMMYY 	C41H58N8O13S2	934.3565	NA	PeJP	NA	NA
+PJ087979	SNNNDWW 	C41H50N12O14	934.357	NA	PeJP	NA	NA
+PJ087980	GSCNMMHR 	C34H58N14O11S3	934.3572	NA	PeJP	NA	NA
+PJ087981	CNMHHFF 	C42H54N12O9S2	934.3579	NA	PeJP	NA	NA
+PJ087982	APTEEEEM 	C37H58N8O18S	934.359	NA	PeJP	NA	NA
+PJ087983	GTTTMMMY 	C38H62N8O13S3	934.3599	NA	PeJP	NA	NA
+PJ087984	SSSSNMHW 	C38H54N12O14S	934.3603	NA	PeJP	NA	NA
+PJ087985	GSPCDDRW 	C38H54N12O14S	934.3604	NA	PeJP	NA	NA
+PJ087986	NDEWWW 	C46H50N10O12	934.361	NA	PeJP	NA	NA
+PJ087987	APPCCCRW 	C39H58N12O9S3	934.3612	NA	PeJP	NA	NA
+MJ098118	Antibiotic PI 085 	C49H58O18	934.362315	NA	MeJP	NA	NA
+MJ098119	Antibiotic PI 087 	C49H58O18	934.362315	NA	MeJP	NA	NA
+MJ098120	Placetin; Placetin A1 	C49H58O18	934.362315	NA	MeJP	NA	NA
+MJ098121	Vineomycin A1 	C49H58O18	934.362315	NA	MeJP	NA	NA
+MJ098122	Vineomycin B2 	C49H58O18	934.362315	NA	MeJP	NA	NA
+PJ087988	SSSSSSQEH 	C34H54N12O19	934.3628	NA	PeJP	NA	NA
+PJ087989	GSNDEEER 	C34H54N12O19	934.3629	NA	PeJP	NA	NA
+PJ087990	GPNDDMMR 	C35H58N12O14S2	934.3637	NA	PeJP	NA	NA
+PJ087991	GGGGGGGGPTMM 	C35H58N12O14S2	934.3638	NA	PeJP	NA	NA
+PJ087992	GNNNNEHH 	C35H50N16O15	934.3642	NA	PeJP	NA	NA
+PJ087993	SPNDMWW 	C43H54N10O12S	934.3644	NA	PeJP	NA	NA
+PJ087994	CDMHHHR 	C36H54N16O10S2	934.3651	NA	PeJP	NA	NA
+PJ087995	SQQEEEW 	C39H54N10O17	934.3669	NA	PeJP	NA	NA
+PJ087996	SCNNNNNR 	C32H54N16O15S	934.3676	NA	PeJP	NA	NA
+PJ087997	TTEMMHW 	C40H58N10O12S2	934.3677	NA	PeJP	NA	NA
+PJ087998	GGPQEMMW 	C40H58N10O12S2	934.3678	NA	PeJP	NA	NA
+PJ087999	NDEHHHF 	C40H50N14O13	934.3682	NA	PeJP	NA	NA
+PJ088000	SMYYWW 	C48H54N8O10S	934.3684	NA	PeJP	NA	NA
+PJ088001	GMMHHHW 	C41H54N14O8S2	934.3691	NA	PeJP	NA	NA
+PJ088002	SSSSSSCKY 	C36H58N10O17S	934.3702	NA	PeJP	NA	NA
+PJ088003	AAQQEEEM 	C36H58N10O17S	934.3703	NA	PeJP	NA	NA
+PJ088004	SSTEYYW 	C44H54N8O15	934.3709	NA	PeJP	NA	NA
+PJ088005	STCCCKKY 	C37H62N10O12S3	934.3711	NA	PeJP	NA	NA
+PJ088006	CNNNERW 	C37H54N14O13S	934.3716	NA	PeJP	NA	NA
+PJ088007	AAMMYYW 	C45H58N8O10S2	934.3718	NA	PeJP	NA	NA
+PJ088008	CCCKHRW 	C38H58N14O8S3	934.3725	NA	PeJP	NA	NA
+PJ088009	CQHHHHH 	C38H50N18O9S	934.3729	NA	PeJP	NA	NA
+PJ088010	GSDDDDRR 	C33H54N14O18	934.3741	NA	PeJP	NA	NA
+PJ088011	SDKEMYY 	C41H58N8O15S	934.3743	NA	PeJP	NA	NA
+PJ088012	TYYYYY 	C49H54N6O13	934.3749	NA	PeJP	NA	NA
+PJ088013	GPCCDERR 	C34H58N14O13S2	934.375	NA	PeJP	NA	NA
+PJ088014	PCKMMYY 	C42H62N8O10S3	934.3751	NA	PeJP	NA	NA
+PJ088015	GNNQMWW 	C42H54N12O11S	934.3756	NA	PeJP	NA	NA
+PJ088016	GDWWWW 	C50H50N10O9	934.3763	NA	PeJP	NA	NA
+PJ088017	GTLEEEEE 	C37H58N8O20	934.3768	NA	PeJP	NA	NA
+PJ088018	STTTTMMY 	C38H62N8O15S2	934.3776	NA	PeJP	NA	NA
+PJ088019	GPLEEEMM 	C38H62N8O15S2	934.3777	NA	PeJP	NA	NA
+PJ088020	SNDEERW 	C38H54N12O16	934.3781	NA	PeJP	NA	NA
+PJ088021	TKMMMMY 	C39H66N8O10S4	934.3785	NA	PeJP	NA	NA
+PJ088022	PCNEMRW 	C39H58N12O11S2	934.379	NA	PeJP	NA	NA
+PJ088023	NNNNHHW 	C39H50N16O12	934.3794	NA	PeJP	NA	NA
+PJ088024	GGNNNHHW 	C39H50N16O12	934.3795	NA	PeJP	NA	NA
+PJ088025	GPTCWWW 	C47H54N10O9S	934.3796	NA	PeJP	NA	NA
+PJ088026	NQEEEMR 	C35H58N12O16S	934.3815	NA	PeJP	NA	NA
+PJ088027	GTQEEWW 	C43H54N10O14	934.3821	NA	PeJP	NA	NA
+PJ088028	GGGGPEEFW 	C43H54N10O14	934.3822	NA	PeJP	NA	NA
+PJ088029	TEMMMHR 	C36H62N12O11S3	934.3824	NA	PeJP	NA	NA
+PJ088030	GPCNDHHR 	C36H54N16O12S	934.3828	NA	PeJP	NA	NA
+PJ088031	GPQMMWW 	C44H58N10O9S2	934.383	NA	PeJP	NA	NA
+PJ088032	GDHHHFW 	C44H50N14O10	934.3835	NA	PeJP	NA	NA
+PJ088033	CFFFWW 	C52H54N8O7S	934.3837	NA	PeJP	NA	NA
+PJ088034	VNQEEMW 	C40H58N10O14S	934.3855	NA	PeJP	NA	NA
+PJ088035	GSPYYYW 	C48H54N8O12	934.3861	NA	PeJP	NA	NA
+PJ088036	GAEFYYW 	C48H54N8O12	934.3862	NA	PeJP	NA	NA
+PJ088037	SLMMMHW 	C41H62N10O9S3	934.3864	NA	PeJP	NA	NA
+PJ088038	GCNNRWW 	C41H54N14O10S	934.3868	NA	PeJP	NA	NA
+PJ088039	GGGCNRWW 	C41H54N14O10S	934.3869	NA	PeJP	NA	NA
+PJ088040	GSQKEEEE 	C36H58N10O19	934.388	NA	PeJP	NA	NA
+PJ088041	SSTLEMMH 	C37H62N10O14S2	934.3889	NA	PeJP	NA	NA
+PJ088042	GSSNNDRW 	C37H54N14O15	934.3893	NA	PeJP	NA	NA
+PJ088043	GGGSSNDRW 	C37H54N14O15	934.3894	NA	PeJP	NA	NA
+PJ088044	ATTMYYW 	C45H58N8O12S	934.3895	NA	PeJP	NA	NA
+PJ088045	AALMMMMH 	C38H66N10O9S4	934.3898	NA	PeJP	NA	NA
+PJ088046	PCCDRRW 	C38H58N14O10S2	934.3902	NA	PeJP	NA	NA
+PJ088047	GSSHHHHH 	C38H50N18O11	934.3907	NA	PeJP	NA	NA
+PJ088048	TLEEEEW 	C41H58N8O17	934.392	NA	PeJP	NA	NA
+PJ088049	NDDEMRR 	C34H58N14O15S	934.3927	NA	PeJP	NA	NA
+PJ088050	GGGGGGGGGGSKM 	C34H58N14O15S	934.3928	NA	PeJP	NA	NA
+PJ088051	PLEEMMW 	C42H62N8O12S2	934.3929	NA	PeJP	NA	NA
+PJ088052	GSDERWW 	C42H54N12O13	934.3934	NA	PeJP	NA	NA
+PJ088053	PPTCCCRR 	C35H62N14O10S3	934.3936	NA	PeJP	NA	NA
+PJ088054	GPCMRWW 	C43H58N12O8S2	934.3942	NA	PeJP	NA	NA
+PJ088055	GVLEEEEM 	C38H62N8O17S	934.3954	NA	PeJP	NA	NA
+PJ088056	SPPLEMMM 	C39H66N8O12S3	934.3963	NA	PeJP	NA	NA
+PJ088057	GQEEMRW 	C39H58N12O13S	934.3967	NA	PeJP	NA	NA
+PJ088058	GGAEEMRW 	C39H58N12O13S	934.3968	NA	PeJP	NA	NA
+PJ088059	TQEWWW 	C47H54N10O11	934.3974	NA	PeJP	NA	NA
+PJ088060	CCKKMHW 	C40H62N12O8S3	934.3976	NA	PeJP	NA	NA
+PJ088061	APPCHHHH 	C40H54N16O9S	934.3981	NA	PeJP	NA	NA
+PJ088062	GSTQEEER 	C35H58N12O18	934.3992	NA	PeJP	NA	NA
+PJ088063	GGGTTEEER 	C35H58N12O18	934.3993	NA	PeJP	NA	NA
+PJ088064	GSPQEMMR 	C36H62N12O13S2	934.4001	NA	PeJP	NA	NA
+PJ088065	NNEEHHR 	C36H54N16O14	934.4006	NA	PeJP	NA	NA
+PJ088066	SPTQMWW 	C44H58N10O11S	934.4007	NA	PeJP	NA	NA
+PJ088067	GVQEMWW 	C44H58N10O11S	934.4008	NA	PeJP	NA	NA
+PJ088068	VMMMMHR 	C37H66N12O8S4	934.401	NA	PeJP	NA	NA
+PJ088069	AFYYWW 	C52H54N8O9	934.4014	NA	PeJP	NA	NA
+PJ088070	CCNHFRR 	C37H58N16O9S2	934.4015	NA	PeJP	NA	NA
+PJ088071	SSPTTQEW 	C40H58N10O16	934.4032	NA	PeJP	NA	NA
+PJ088072	SQKEEEW 	C40H58N10O16	934.4033	NA	PeJP	NA	NA
+PJ088073	CDDDRRR 	C33H58N16O14S	934.404	NA	PeJP	NA	NA
+PJ088074	PNKEMMW 	C41H62N10O11S2	934.4041	NA	PeJP	NA	NA
+PJ088075	GGGAAPPMMF 	C41H62N10O11S2	934.4042	NA	PeJP	NA	NA
+PJ088076	AQQEHHW 	C41H54N14O12	934.4046	NA	PeJP	NA	NA
+PJ088077	AAMFFYW 	C49H58N8O9S	934.4048	NA	PeJP	NA	NA
+PJ088078	LEEEEMR 	C37H62N10O16S	934.4066	NA	PeJP	NA	NA
+PJ088079	GGGVKEEEM 	C37H62N10O16S	934.4067	NA	PeJP	NA	NA
+PJ088080	TTTTYYW 	C45H58N8O14	934.4073	NA	PeJP	NA	NA
+PJ088081	ATTLMMMH 	C38H66N10O11S3	934.4075	NA	PeJP	NA	NA
+PJ088082	GDDMRRW 	C38H58N14O12S	934.408	NA	PeJP	NA	NA
+PJ088083	PCKMFFY 	C46H62N8O9S2	934.4082	NA	PeJP	NA	NA
+PJ088084	SDRWWW 	C46H54N12O10	934.4086	NA	PeJP	NA	NA
+PJ088085	CKHHHHH 	C39H54N18O8S	934.4093	NA	PeJP	NA	NA
+PJ088086	GSSDEERR 	C34H58N14O17	934.4105	NA	PeJP	NA	NA
+PJ088087	TTKEMYY 	C42H62N8O14S	934.4106	NA	PeJP	NA	NA
+PJ088088	VLEEEMW 	C42H62N8O14S	934.4107	NA	PeJP	NA	NA
+PJ088089	SSSCKMHR 	C35H62N14O12S2	934.4113	NA	PeJP	NA	NA
+PJ088090	GSPCEMRR 	C35H62N14O12S2	934.4114	NA	PeJP	NA	NA
+PJ088091	CLKMMFY 	C43H66N8O9S3	934.4115	NA	PeJP	NA	NA
+PJ088092	GSNNNHHR 	C35H54N18O13	934.4118	NA	PeJP	NA	NA
+PJ088093	QEMRWW 	C43H58N12O10S	934.412	NA	PeJP	NA	NA
+PJ088094	ATWWWW 	C51H54N10O8	934.4126	NA	PeJP	NA	NA
+PJ088095	GGPFWWW 	C51H54N10O8	934.4127	NA	PeJP	NA	NA
+PJ088096	SSLLEEEE 	C38H62N8O19	934.4132	NA	PeJP	NA	NA
+PJ088097	SPVLEEMM 	C39H66N8O14S2	934.414	NA	PeJP	NA	NA
+PJ088098	STQEERW 	C39H58N12O15	934.4145	NA	PeJP	NA	NA
+PJ088099	PPVVMMMM 	C40H70N8O9S4	934.4149	NA	PeJP	NA	NA
+PJ088100	SPQMMRW 	C40H62N12O10S2	934.4154	NA	PeJP	NA	NA
+PJ088101	GNEHHRW 	C40H54N16O11	934.4158	NA	PeJP	NA	NA
+PJ088102	GGGEHHRW 	C40H54N16O11	934.4159	NA	PeJP	NA	NA
+PJ088103	VQMWWW 	C48H58N10O8S	934.416	NA	PeJP	NA	NA
+PJ088104	NKEEEMR 	C36H62N12O15S	934.4179	NA	PeJP	NA	NA
+PJ088105	GTKEEWW 	C44H58N10O13	934.4185	NA	PeJP	NA	NA
+PJ088106	AAPQMMMR 	C37H66N12O10S3	934.4187	NA	PeJP	NA	NA
+PJ088107	GGGPVMMMR 	C37H66N12O10S3	934.4188	NA	PeJP	NA	NA
+PJ088108	SCNNRRW 	C37H58N16O11S	934.4192	NA	PeJP	NA	NA
+PJ088109	GPKMMWW 	C45H62N10O8S2	934.4194	NA	PeJP	NA	NA
+MJ098123	Gitaloxigenin; 3-O-[Di-O-formyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-formyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C47H66O19	934.419829	NA	MeJP	NA	NA
+PJ088110	AAQHHWW 	C45H54N14O9	934.4199	NA	PeJP	NA	NA
+PJ088111	SSSNNDRR 	C33H58N16O16	934.4217	NA	PeJP	NA	NA
+PJ088112	VNKEEMW 	C41H62N10O13S	934.4219	NA	PeJP	NA	NA
+PJ088113	LQYYYW 	C49H58N8O11	934.4225	NA	PeJP	NA	NA
+PJ088114	NNNMMRR 	C34H62N16O11S2	934.4226	NA	PeJP	NA	NA
+MJ098124	Petunioside A 	C44H70O19S	934.4232	NA	MeJP	NA	NA
+PJ088115	CERRWW 	C42H58N14O9S	934.4232	NA	PeJP	NA	NA
+PJ088116	GSKKEEEE 	C37H62N10O18	934.4244	NA	PeJP	NA	NA
+PJ088117	TTTTLMMH 	C38H66N10O13S2	934.4253	NA	PeJP	NA	NA
+PJ088118	SSDERRW 	C38H58N14O14	934.4257	NA	PeJP	NA	NA
+PJ088119	GGGGGAQEFR 	C38H58N14O14	934.4258	NA	PeJP	NA	NA
+PJ088120	PPLEMYW 	C46H62N8O11S	934.4259	NA	PeJP	NA	NA
+PJ088121	SPCMRRW 	C39H62N14O9S2	934.4266	NA	PeJP	NA	NA
+PJ088122	PDHHHHR 	C39H54N18O10	934.4271	NA	PeJP	NA	NA
+PJ088123	AMRWWW 	C47H58N12O7S	934.4273	NA	PeJP	NA	NA
+PJ088124	SSTTTLYY 	C42H62N8O16	934.4284	NA	PeJP	NA	NA
+PJ088125	SQEEMRR 	C35H62N14O14S	934.4291	NA	PeJP	NA	NA
+PJ088126	SLKMMYY 	C43H66N8O11S2	934.4293	NA	PeJP	NA	NA
+PJ088127	GTTERWW 	C43H58N12O12	934.4297	NA	PeJP	NA	NA
+PJ088128	GGSSQKWW 	C43H58N12O12	934.4298	NA	PeJP	NA	NA
+PJ088129	PNMMMRR 	C36H66N14O9S3	934.43	NA	PeJP	NA	NA
+PJ088130	NHHRWW 	C44H54N16O8	934.4311	NA	PeJP	NA	NA
+PJ088131	ATLLEEEM 	C39H66N8O16S	934.4318	NA	PeJP	NA	NA
+PJ088132	APLLEMMM 	C40H70N8O11S3	934.4327	NA	PeJP	NA	NA
+PJ088133	GKEEMRW 	C40H62N12O12S	934.4331	NA	PeJP	NA	NA
+PJ088134	GGGGGGAPKMF 	C40H62N12O12S	934.4332	NA	PeJP	NA	NA
+PJ088135	TKEWWW 	C48H58N10O10	934.4338	NA	PeJP	NA	NA
+PJ088136	AMHHHFR 	C41H58N16O8S	934.4345	NA	PeJP	NA	NA
+PJ088137	GSTKEEER 	C36H62N12O17	934.4356	NA	PeJP	NA	NA
+PJ088138	GSPKEMMR 	C37H66N12O12S2	934.4365	NA	PeJP	NA	NA
+PJ088139	NNNDFRR 	C37H58N16O13	934.437	NA	PeJP	NA	NA
+PJ088140	AVDKMWW 	C45H62N10O10S	934.4371	NA	PeJP	NA	NA
+PJ088141	GVKEMWW 	C45H62N10O10S	934.4372	NA	PeJP	NA	NA
+PJ088142	AAFFFFW 	C53H58N8O8	934.4378	NA	PeJP	NA	NA
+PJ088143	SKKEEEW 	C41H62N10O15	934.4396	NA	PeJP	NA	NA
+PJ088144	TDKKEEW 	C41H62N10O15	934.4397	NA	PeJP	NA	NA
+PJ088145	SDDMRRR 	C34H62N16O13S	934.4403	NA	PeJP	NA	NA
+PJ088146	GGGGGSTMRR 	C34H62N16O13S	934.4404	NA	PeJP	NA	NA
+PJ088147	PDKKMMW 	C42H66N10O10S2	934.4405	NA	PeJP	NA	NA
+PJ088148	GNQQFRW 	C42H58N14O11	934.441	NA	PeJP	NA	NA
+PJ088149	PCKFFFF 	C50H62N8O8S	934.4412	NA	PeJP	NA	NA
+PJ088150	AAKKEEEM 	C38H66N10O15S	934.443	NA	PeJP	NA	NA
+MJ098125	Antibiotic YM 47141 	C46H62N8O13	934.443634	NA	MeJP	NA	NA
+PJ088151	PVLEEYW 	C46H62N8O13	934.4437	NA	PeJP	NA	NA
+PJ088152	GPLQKMMM 	C39H70N10O10S3	934.4439	NA	PeJP	NA	NA
+PJ088153	SNNKMRW 	C39H62N14O11S	934.4443	NA	PeJP	NA	NA
+PJ088154	GTEMRRW 	C39H62N14O11S	934.4444	NA	PeJP	NA	NA
+PJ088155	CLKMFFF 	C47H66N8O8S2	934.4445	NA	PeJP	NA	NA
+PJ088156	TTRWWW 	C47H58N12O9	934.445	NA	PeJP	NA	NA
+3268	NA	TAQVTSTEV	934.446	celiac toxic	Inhouse_peptide	NA	peptide
+PJ088157	SSTNNKER 	C35H62N14O16	934.4468	NA	PeJP	NA	NA
+PJ088158	GSTTEERR 	C35H62N14O16	934.4469	NA	PeJP	NA	NA
+PJ088159	SPPVLEMY 	C43H66N8O13S	934.447	NA	PeJP	NA	NA
+PJ088160	GPLLEEMF 	C43H66N8O13S	934.4471	NA	PeJP	NA	NA
+PJ088161	VNEMMRR 	C36H66N14O11S2	934.4477	NA	PeJP	NA	NA
+PJ088162	GGGGAAKMMR 	C36H66N14O11S2	934.4478	NA	PeJP	NA	NA
+PJ088163	SNEHHRR 	C36H58N18O12	934.4482	NA	PeJP	NA	NA
+PJ088164	KEMRWW 	C44H62N12O9S	934.4484	NA	PeJP	NA	NA
+7460	coeliac toxic peptide	LQQPQQPQFQPQQQF	934.449	MH2+	Inhouse_peptide	NA	peptide
+PJ088165	LHFFWW 	C52H58N10O7	934.449	NA	PeJP	NA	NA
+PJ088166	TTTLLEEE 	C39H66N8O18	934.4495	NA	PeJP	NA	NA
+PJ088167	GLLLEEMM 	C40H70N8O13S2	934.4504	NA	PeJP	NA	NA
+PJ088168	STKEERW 	C40H62N12O14	934.4509	NA	PeJP	NA	NA
+PJ088169	GSSCNRRR 	C33H62N18O12S	934.4516	NA	PeJP	NA	NA
+PJ088170	ALQMMRW 	C41H66N12O9S2	934.4517	NA	PeJP	NA	NA
+PJ088171	SPKMMRW 	C41H66N12O9S2	934.4518	NA	PeJP	NA	NA
+PJ088172	GDKHHRW 	C41H58N16O10	934.4522	NA	PeJP	NA	NA
+PJ088173	VKMWWW 	C49H62N10O7S	934.4524	NA	PeJP	NA	NA
+PJ088174	ATTLNEMR 	C37H66N12O14S	934.4542	NA	PeJP	NA	NA
+PJ088175	DKKEEMR 	C37H66N12O14S	934.4543	NA	PeJP	NA	NA
+PJ088176	SSLKEWW 	C45H62N10O12	934.4549	NA	PeJP	NA	NA
+PJ088177	AAPKMMMR 	C38H70N12O9S3	934.4551	NA	PeJP	NA	NA
+PJ088178	VQQMHHR 	C38H62N16O10S	934.4556	NA	PeJP	NA	NA
+PJ088179	AAKHHWW 	C46H58N14O8	934.4562	NA	PeJP	NA	NA
+PJ088180	GPPHRWW 	C46H58N14O8	934.4563	NA	PeJP	NA	NA
+PJ088181	SSSSQQRR 	C34H62N16O15	934.4581	NA	PeJP	NA	NA
+PJ088182	VDKKEMW 	C42H66N10O12S	934.4583	NA	PeJP	NA	NA
+PJ088183	LKYYYW 	C50H62N8O10	934.4589	NA	PeJP	NA	NA
+PJ088184	GEMMRRR 	C35H66N16O10S2	934.459	NA	PeJP	NA	NA
+PJ088185	TMRRWW 	C43H62N14O8S	934.4596	NA	PeJP	NA	NA
+PJ088186	ATTKKEEE 	C38H66N10O17	934.4608	NA	PeJP	NA	NA
+PJ088187	SPTLQKMM 	C39H70N10O12S2	934.4616	NA	PeJP	NA	NA
+PJ088188	APTKKEMM 	C39H70N10O12S2	934.4617	NA	PeJP	NA	NA
+3334	human beta-casein fr, 54-61	QTQSLVYP	934.462	celiac toxic	Inhouse_peptide	NA	peptide
+PJ088189	STTERRW 	C39H62N14O13	934.4621	NA	PeJP	NA	NA
+PJ088190	GGGGGGGGGKKF 	C39H62N14O13	934.4622	NA	PeJP	NA	NA
+PJ088191	PLLEMFW 	C47H66N8O10S	934.4623	NA	PeJP	NA	NA
+PJ088192	GVMMRRW 	C40H66N14O8S2	934.463	NA	PeJP	NA	NA
+PJ088193	GSHHRRW 	C40H58N18O9	934.4635	NA	PeJP	NA	NA
+PJ088194	APTLLEEY 	C43H66N8O15	934.4648	NA	PeJP	NA	NA
+PJ088195	SKEEMRR 	C36H66N14O13S	934.4655	NA	PeJP	NA	NA
+PJ088196	LLLEMMW 	C44H70N8O10S2	934.4657	NA	PeJP	NA	NA
+PJ088197	SSTLRWW 	C44H62N12O11	934.4661	NA	PeJP	NA	NA
+PJ088198	GGALEFRW 	C44H62N12O11	934.4662	NA	PeJP	NA	NA
+PJ088199	AQMHHRR 	C37H62N18O9S	934.4668	NA	PeJP	NA	NA
+PJ088200	STLLLEEM 	C40H70N8O15S	934.4682	NA	PeJP	NA	NA
+PJ088201	SPLLLMMM 	C41H74N8O10S3	934.469	NA	PeJP	NA	NA
+PJ088202	SVKEMRW 	C41H66N12O11S	934.4695	NA	PeJP	NA	NA
+PJ088203	GPVKYWW 	C49H62N10O9	934.4702	NA	PeJP	NA	NA
+PJ088204	SSSLKEER 	C37H66N12O16	934.472	NA	PeJP	NA	NA
+PJ088205	LQKEMMR 	C38H70N12O11S2	934.4729	NA	PeJP	NA	NA
+PJ088206	GQQQRRY 	C38H62N16O12	934.4733	NA	PeJP	NA	NA
+PJ088207	GGAQQRRY 	C38H62N16O12	934.4734	NA	PeJP	NA	NA
+PJ088208	ATLKMWW 	C46H66N10O9S	934.4735	NA	PeJP	NA	NA
+PJ088209	MMRRRW 	C39H66N16O7S2	934.4742	NA	PeJP	NA	NA
+PJ088210	GTTTLKEW 	C42H66N10O14	934.476	NA	PeJP	NA	NA
+PJ088211	GGGGGLLLEY 	C42H66N10O14	934.4761	NA	PeJP	NA	NA
+PJ088212	STEMRRR 	C35H66N16O12S	934.4767	NA	PeJP	NA	NA
+PJ088213	VLQKMMW 	C43H70N10O9S2	934.4769	NA	PeJP	NA	NA
+MJ098126	Furost-25(27)-ene-3,12,22,26-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C45H74O20	934.477344	NA	MeJP	NA	NA
+MJ098127	Spirostane-2,3,5,9-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] 	C45H74O20	934.477344	NA	MeJP	NA	NA
+MJ098128	Spirostane-2,3,6-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?4)-?-D-galactopyranoside] 	C45H74O20	934.477344	NA	MeJP	NA	NA
+PJ088214	GPTRRYW 	C43H62N14O10	934.4774	NA	PeJP	NA	NA
+PJ088215	ACHHRRR 	C36H62N20O8S	934.4781	NA	PeJP	NA	NA
+PJ088216	GTLKKEEM 	C39H70N10O14S	934.4794	NA	PeJP	NA	NA
+PJ088217	SVLKYYY 	C47H66N8O12	934.48	NA	PeJP	NA	NA
+PJ088218	VLLEEFW 	C47H66N8O12	934.4801	NA	PeJP	NA	NA
+PJ088219	GPLKKMMM 	C40H74N10O9S3	934.4803	NA	PeJP	NA	NA
+PJ088220	SSLMRRW 	C40H66N14O10S	934.4807	NA	PeJP	NA	NA
+PJ088221	GGTCKKRW 	C40H66N14O10S	934.4808	NA	PeJP	NA	NA
+PJ088222	PKRYWW 	C48H62N12O8	934.4814	NA	PeJP	NA	NA
+PJ088223	SSSTLERR 	C36H66N14O15	934.4832	NA	PeJP	NA	NA
+PJ088224	GGSSTDKKR 	C36H66N14O15	934.4833	NA	PeJP	NA	NA
+PJ088225	GPLLLEMY 	C44H70N8O12S	934.4834	NA	PeJP	NA	NA
+PJ088226	VDKMMRR 	C37H70N14O10S2	934.4841	NA	PeJP	NA	NA
+PJ088227	GNNRRRY 	C37H62N18O11	934.4846	NA	PeJP	NA	NA
+PJ088228	GCKKKWW 	C45H66N12O8S	934.4848	NA	PeJP	NA	NA
+PJ088229	SVLLLEMM 	C41H74N8O12S2	934.4868	NA	PeJP	NA	NA
+PJ088230	SSSSLLRW 	C41H66N12O13	934.4873	NA	PeJP	NA	NA
+PJ088231	ALKMMRW 	C42H70N12O8S2	934.4881	NA	PeJP	NA	NA
+PJ088232	DFRRRW 	C42H62N16O9	934.4886	NA	PeJP	NA	NA
+PJ088233	GTTLKEMR 	C38H70N12O13S	934.4906	NA	PeJP	NA	NA
+PJ088234	GGATDKKKM 	C38H70N12O13S	934.4907	NA	PeJP	NA	NA
+PJ088235	TTTLKWW 	C46H66N10O11	934.4913	NA	PeJP	NA	NA
+PJ088236	GPMRRRY 	C39H66N16O9S	934.492	NA	PeJP	NA	NA
+MJ098129	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Benzoyl, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H74O17	934.4926	NA	MeJP	NA	NA
+PJ088237	SSSSQKRR 	C35H66N16O14	934.4945	NA	PeJP	NA	NA
+PJ088238	TLKKEMW 	C43H70N10O11S	934.4947	NA	PeJP	NA	NA
+PJ088239	PPLLFYW 	C51H66N8O9	934.4953	NA	PeJP	NA	NA
+PJ088240	SVMMRRR 	C36H70N16O9S2	934.4954	NA	PeJP	NA	NA
+PJ088241	SSHHRRR 	C36H62N20O10	934.4958	NA	PeJP	NA	NA
+PJ088242	SSSSTILLQ 	C39H70N10O16	934.4971	NA	PeJP	NA	NA
+PJ088243	STTLKKEE 	C39H70N10O16	934.4972	NA	PeJP	NA	NA
+PJ088244	GVLKKEMM 	C40H74N10O11S2	934.498	NA	PeJP	NA	NA
+PJ088245	GSSSKKRW 	C40H66N14O12	934.4985	NA	PeJP	NA	NA
+PJ088246	PLLLMYW 	C48H70N8O9S	934.4987	NA	PeJP	NA	NA
+PJ088247	VLHHHHR 	C41H62N18O8	934.4999	NA	PeJP	NA	NA
+PJ088248	GVLLLEEY 	C44H70N8O14	934.5012	NA	PeJP	NA	NA
+PJ088249	GTTTLMRR 	C37H70N14O12S	934.5019	NA	PeJP	NA	NA
+PJ088250	APLLLMMF 	C45H74N8O9S2	934.5021	NA	PeJP	NA	NA
+PJ088251	SPVKRYW 	C45H66N12O10	934.5025	NA	PeJP	NA	NA
+PJ088252	AKMHHRR 	C38H66N18O8S	934.5032	NA	PeJP	NA	NA
+PJ088253	ALLLLMMM 	C42H78N8O9S3	934.5054	NA	PeJP	NA	NA
+PJ088254	TTLKMRW 	C42H70N12O10S	934.5059	NA	PeJP	NA	NA
+PJ088255	GVLKFWW 	C50H66N10O8	934.5066	NA	PeJP	NA	NA
+PJ088256	STTTLKER 	C38H70N12O15	934.5084	NA	PeJP	NA	NA
+PJ088257	LKKEMMR 	C39H74N12O10S2	934.5093	NA	PeJP	NA	NA
+PJ088258	GVERRRY 	C39H66N16O11	934.5097	NA	PeJP	NA	NA
+PJ088259	GGGAAKRRY 	C39H66N16O11	934.5098	NA	PeJP	NA	NA
+PJ088260	PVKKMFW 	C47H70N10O8S	934.5099	NA	PeJP	NA	NA
+PJ088261	SSTTLLKW 	C43H70N10O13	934.5124	NA	PeJP	NA	NA
+PJ088262	GSTCKKRR 	C36H70N16O11S	934.5131	NA	PeJP	NA	NA
+PJ088263	VLKKMMW 	C44H74N10O8S2	934.5133	NA	PeJP	NA	NA
+MJ098130	Furostane-2,3,22,26-tetrol, 22-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C46H78O19	934.51373	NA	MeJP	NA	NA
+MJ098131	Furostane-3,22,26-triol, 22-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C46H78O19	934.51373	NA	MeJP	NA	NA
+MJ098132	Furostane-3,22,26-triol, 22-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C46H78O19	934.51373	NA	MeJP	NA	NA
+MJ098133	Stigmast-22-ene-3,4,6,8,15,16,29-heptol, 29-O-[3-O-Methyl-?-D-xylopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] 	C46H78O19	934.51373	NA	MeJP	NA	NA
+PJ088264	AALRRYW 	C44H66N14O9	934.5138	NA	PeJP	NA	NA
+PJ088265	SSLLKKEM 	C40H74N10O13S	934.5158	NA	PeJP	NA	NA
+PJ088266	VLLLEYW 	C48H70N8O11	934.5164	NA	PeJP	NA	NA
+PJ088267	GPLLLEFF 	C48H70N8O11	934.5165	NA	PeJP	NA	NA
+PJ088268	SCKKKRW 	C41H70N14O9S	934.5171	NA	PeJP	NA	NA
+PJ088269	LKFRWW 	C49H66N12O7	934.5178	NA	PeJP	NA	NA
+CJneg0659	Androsterone glucuronide [(2M-H)]- (18O)	C50H75O1518O	934.518125	C18rt(min)=8.7 Neg identified a,c	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+CJneg0659	Androsterone glucuronide [(2M-H)]- (18O)	C50H75O1518O	934.518125	C18rt(min)=8.7 Neg identified a,c	base_CJunot_PubAnalChem2012_NEG	negative	NA
+PJ088270	STTTTLRR 	C37H70N14O14	934.5196	NA	PeJP	NA	NA
+PJ088271	SPVLLLMY 	C45H74N8O11S	934.5198	NA	PeJP	NA	NA
+PJ088272	TLKMMRR 	C38H74N14O9S2	934.5205	NA	PeJP	NA	NA
+PJ088273	ERRRRY 	C38H66N18O10	934.521	NA	PeJP	NA	NA
+PJ088274	TTLLLLMM 	C42H78N8O11S2	934.5232	NA	PeJP	NA	NA
+PJ088275	VLQKERY 	C42H70N12O12	934.5236	NA	PeJP	NA	NA
+PJ088276	GSTTKKKW 	C42H70N12O12	934.5237	NA	PeJP	NA	NA
+PJ088277	VRRRYW 	C43H66N16O8	934.525	NA	PeJP	NA	NA
+PJ088278	SSTLLKMR 	C39H74N12O12S	934.527	NA	PeJP	NA	NA
+PJ088279	PTLKKYW 	C47H70N10O10	934.5277	NA	PeJP	NA	NA
+PJ088280	GLMFRRR 	C40H70N16O8S	934.5284	NA	PeJP	NA	NA
+MJ098134	3-Hydroxy-11-oxo-12-oleanen-29-oic acid, 3-O-[6-Butyl-?-D-glucuronopyranosyl-(1?2)-6-butyl-?-D-glucuronopyranoside] 	C50H78O16	934.528986	NA	MeJP	NA	NA
+MJ098135	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[6-O-Butyl-?-D-glucuronopyranosyl-(1?2)-6-O-butyl-?-D-glucuronopyranoside] 	C50H78O16	934.528986	NA	MeJP	NA	NA
+PJ088281	SSSSKKRR 	C36H70N16O13	934.5309	NA	PeJP	NA	NA
+PJ088282	GPVLKKMY 	C44H74N10O10S	934.5311	NA	PeJP	NA	NA
+PJ088283	PLLLFFW 	C52H70N8O8	934.5317	NA	PeJP	NA	NA
+PJ088284	SSSSTLLLK 	C40H74N10O15	934.5335	NA	PeJP	NA	NA
+PJ088285	ATLLKKMM 	C41H78N10O10S2	934.5344	NA	PeJP	NA	NA
+PJ088286	ALKERRY 	C41H70N14O11	934.5349	NA	PeJP	NA	NA
+PJ088287	LLLLMFW 	C49H74N8O8S	934.5351	NA	PeJP	NA	NA
+PJ088288	ATLLLLEY 	C45H74N8O13	934.5376	NA	PeJP	NA	NA
+PJ088289	GSTKKKMR 	C38H74N14O11S	934.5383	NA	PeJP	NA	NA
+PJ088290	GLLKRYW 	C46H70N12O9	934.5389	NA	PeJP	NA	NA
+PJ088291	SKKKKMW 	C43H74N12O9S	934.5423	NA	PeJP	NA	NA
+PJ088292	SSTKKKKE 	C39H74N12O14	934.5448	NA	PeJP	NA	NA
+PJ088293	AAKKKKMM 	C40H78N12O9S2	934.5457	NA	PeJP	NA	NA
+PJ088294	ATLRRRY 	C40H70N16O10	934.5461	NA	PeJP	NA	NA
+PJ088295	AALLKKEY 	C44H74N10O12	934.5488	NA	PeJP	NA	NA
+PJ088296	PVLKHRW 	C45H70N14O8	934.5502	NA	PeJP	NA	NA
+PJ088297	TTTLLKKM 	C41H78N10O12S	934.5522	NA	PeJP	NA	NA
+PJ088298	GPLLLLFY 	C49H74N8O10	934.5528	NA	PeJP	NA	NA
+PJ088299	VVKMFRR 	C42H74N14O8S	934.5535	NA	PeJP	NA	NA
+PJ088300	SSTTKKKR 	C38H74N14O13	934.556	NA	PeJP	NA	NA
+PJ088301	GLLLLLMY 	C46H78N8O10S	934.5562	NA	PeJP	NA	NA
+PJ088302	PTLHRRR 	C39H70N18O9	934.5574	NA	PeJP	NA	NA
+PJ088303	VLKKERY 	C43H74N12O11	934.56	NA	PeJP	NA	NA
+PJ088304	GGAALKKKY 	C43H74N12O11	934.5601	NA	PeJP	NA	NA
+PJ088305	ATTKKKKM 	C40H78N12O11S	934.5634	NA	PeJP	NA	NA
+PJ088306	VVLKKYW 	C48H74N10O9	934.5641	NA	PeJP	NA	NA
+PJ088307	GVLLKKMF 	C45H78N10O9S	934.5674	NA	PeJP	NA	NA
+PJ088308	SLLKRRY 	C42H74N14O10	934.5713	NA	PeJP	NA	NA
+PJ088309	STIIIILY 	C46H78N8O12	934.5739	NA	PeJP	NA	NA
+PJ088310	STLLLLLY 	C46H78N8O12	934.574	NA	PeJP	NA	NA
+PJ088311	AKKKKFW 	C47H74N12O8	934.5753	NA	PeJP	NA	NA
+PJ088312	LLKKMFR 	C44H78N12O8S	934.5787	NA	PeJP	NA	NA
+PJ088313	TTTTKKKK 	C40H78N12O13	934.5812	NA	PeJP	NA	NA
+PJ088314	GKKKRRY 	C41H74N16O9	934.5825	NA	PeJP	NA	NA
+PJ088315	GTLLLKKY 	C45H78N10O11	934.5852	NA	PeJP	NA	NA
+PJ088316	GLLLLLFF 	C50H78N8O9	934.5892	NA	PeJP	NA	NA
+PJ088317	VVLHRRR 	C40H74N18O8	934.5938	NA	PeJP	NA	NA
+PJ088318	LQKKKKY 	C44H78N12O10	934.5964	NA	PeJP	NA	NA
+MJ098136	Oleanolic acid bisdesmosides; Diglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-?-D-glucopyranosyl ester, 6'-decyl ester 	C52H86O14	934.601757	NA	MeJP	NA	NA
+PJ088319	APPLLLRR 	C43H78N14O9	934.6077	NA	PeJP	NA	NA
+PJ088320	LLLKHRR 	C42H78N16O8	934.6189	NA	PeJP	NA	NA
+PJ088321	TLLLLLLH 	C46H82N10O10	934.6216	NA	PeJP	NA	NA
+PJ088322	LKKKKKY 	C45H82N12O9	934.6328	NA	PeJP	NA	NA
+MJ098137	Homophleine 	C56H90N2O9	934.664632	NA	MeJP	NA	NA
+MJ098138	Huratoxin; 20-Tetracosanoyl 	C58H94O9	934.689784	NA	MeJP	NA	NA
+HMDB05458	TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H106O6	934.79895	http://www.hmdb.ca/metabolites/HMDB05458	HMDB	NA	NA
+HMDB05469	TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H106O6	934.79895	http://www.hmdb.ca/metabolites/HMDB05469	HMDB	NA	NA
+HMDB05458	TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H106O6	934.79895	HMDB05458	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05469	TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H106O6	934.79895	HMDB05469	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05458	TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H106O6	934.79895	NA	HMDB2010	NA	NA
+HMDB05469	TG(18:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H106O6	934.79895	NA	HMDB2010	NA	NA
+HMDB10467	TG(18:1(9Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso3]	C61H106O6	934.79895	NA	HMDB2010	NA	NA
+MJ098139	20(29)-Lupene-2,3,28-triol, 3,28-Dihexadecanoyl 	C62H110O5	934.835326	NA	MeJP	NA	NA
+PJ088323	GCCCCCDDD 	C29H45N9O16S5	935.1588	NA	PeJP	NA	NA
+PJ088324	SPCCCCCCD 	C30H49N9O13S6	935.1775	NA	PeJP	NA	NA
+PJ088325	GCCCCCCNQ 	C29H49N11O12S6	935.1887	NA	PeJP	NA	NA
+PJ088326	GSCCCCDDM 	C30H49N9O15S5	935.1952	NA	PeJP	NA	NA
+PJ088327	APCCCCCCM 	C31H53N9O10S7	935.1961	NA	PeJP	NA	NA
+PJ088328	SSCCCCCNN 	C29H49N11O14S5	935.2064	NA	PeJP	NA	NA
+PJ088329	GGGGSSCCCCC 	C29H49N11O14S5	935.2065	NA	PeJP	NA	NA
+PJ088330	SCCCCCEW 	C34H49N9O12S5	935.2105	NA	PeJP	NA	NA
+PJ088331	SSSCCCCDE 	C30H49N9O17S4	935.213	NA	PeJP	NA	NA
+PJ088332	CCCCNEMM 	C31H53N9O12S6	935.2138	NA	PeJP	NA	NA
+PJ088333	CCCCCDMR 	C30H53N11O11S6	935.2251	NA	PeJP	NA	NA
+PJ088334	CCCCNDEF 	C34H49N9O14S4	935.2282	NA	PeJP	NA	NA
+PJ088335	GCCCCMMW 	C35H53N9O9S6	935.2291	NA	PeJP	NA	NA
+C05265	3-Oxodecanoyl-CoA	C31H52N7O18P3S	935.2302	NA	KEGG	NA	NA
+C11947	3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA	C31H52N7O18P3S	935.2302	NA	KEGG	NA	NA
+HMDB03939	3-Oxodecanoyl-CoA	C31H52N7O18P3S	935.23022	http://www.hmdb.ca/metabolites/HMDB03939	HMDB	NA	NA
+HMDB04601	3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA	C31H52N7O18P3S	935.23022	http://www.hmdb.ca/metabolites/HMDB04601	HMDB	NA	NA
+HMDB03939	3-Oxodecanoyl-CoA	C31H52N7O18P3S	935.23022	HMDB03939	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04601	3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA	C31H52N7O18P3S	935.23022	HMDB04601	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03939	3-Oxodecanoyl-CoA	C31H52N7O18P3S	935.230225	NA	HMDB2010	NA	NA
+HMDB04601	3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA	C31H52N7O18P3S	935.230225	NA	HMDB2010	NA	NA
+PJ088336	GSSCCCDMM 	C31H53N9O14S5	935.2316	NA	PeJP	NA	NA
+PJ088337	CCCCCQHH 	C32H49N13O10S5	935.2329	NA	PeJP	NA	NA
+PJ088338	CCNDDDDH 	C32H45N11O18S2	935.2386	NA	PeJP	NA	NA
+PJ088339	CCCCNNNY 	C33H49N11O13S4	935.2394	NA	PeJP	NA	NA
+PJ088340	GGCCCCNNY 	C33H49N11O13S4	935.2395	NA	PeJP	NA	NA
+C11539	Cobalt-precorrin 3	C43H48CoN4O16	935.2397	NA	KEGG	NA	NA
+PJ088341	GCCCCDFW 	C38H49N9O11S4	935.2435	NA	PeJP	NA	NA
+FL7AACGL0057	Cyanidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside	C42H47O24	935.24572	-	knapsack	NA	NA
+FL7AACGL0067	Cyanidin 3-(6''-caffeylsophoroside)-5-glucoside	C42H47O24	935.24572	36618-57-2<BR>164864-59-9<BR>81360-21-6	knapsack	NA	NA
+FL7AACGL0108	Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside)	C42H47O24	935.24572	215176-97-9	knapsack	NA	NA
+FL7AAGGL0040	Delphinidin 3,3'-di-glucoside-5-(6-p-coumarylglucoside)	C42H47O24	935.24572	190511-78-5	knapsack	NA	NA
+FL7AAGGL0049	Delphinidin 3-[6-(4-(caffeoylrhamnosyl)glucoside]-5-glucoside	C42H47O24	935.24572	232617-19-5	knapsack	NA	NA
+PJ088342	SCCCNDEY 	C34H49N9O16S3	935.246	NA	PeJP	NA	NA
+PJ088343	STCCCCMW 	C35H53N9O11S5	935.2468	NA	PeJP	NA	NA
+PJ088344	GGPCCCCMY 	C35H53N9O11S5	935.2469	NA	PeJP	NA	NA
+PJ088345	SSSSCCCEM 	C31H53N9O16S4	935.2493	NA	PeJP	NA	NA
+PJ088346	SCCCQMMM 	C32H57N9O11S6	935.2502	NA	PeJP	NA	NA
+PJ088347	GSSCCCCHH 	C32H49N13O12S4	935.2507	NA	PeJP	NA	NA
+PJ088348	GSPCCCDDH 	C33H49N11O15S3	935.2572	NA	PeJP	NA	NA
+PJ088349	APPCCCCCH 	C34H53N11O10S5	935.2581	NA	PeJP	NA	NA
+PJ088350	GSCCCDYW 	C38H49N9O13S3	935.2612	NA	PeJP	NA	NA
+PJ088351	SCCCCMMR 	C31H57N11O10S6	935.2615	NA	PeJP	NA	NA
+PJ088352	GSSSCCDDY 	C34H49N9O18S2	935.2637	NA	PeJP	NA	NA
+PJ088353	GPPCCDDDD 	C34H49N9O18S2	935.2638	NA	PeJP	NA	NA
+PJ088354	GCCNDMMY 	C35H53N9O13S4	935.2646	NA	PeJP	NA	NA
+HMDB11604	4,8-Dimethylnonanoyl-CoA	C32H56N7O17P3S	935.266602	NA	HMDB2010	NA	NA
+PJ088355	GSSSCCMMM 	C32H57N9O13S5	935.268	NA	PeJP	NA	NA
+MJ098140	C-Alkaloid D 	C40H48N4O22(+)	935.268194	NA	MeJP	NA	NA
+MJ098141	Calebassine 	C40H48N4O22(+)	935.268194	NA	MeJP	NA	NA
+PJ088356	CCCNNNEH 	C32H49N13O14S3	935.2684	NA	PeJP	NA	NA
+PJ088357	GGCCCNNEH 	C32H49N13O14S3	935.2685	NA	PeJP	NA	NA
+PJ088358	CCCCCKHH 	C33H53N13O9S5	935.2693	NA	PeJP	NA	NA
+PJ088359	NNNDDDDD 	C32H45N11O22	935.2741	NA	PeJP	NA	NA
+PJ088360	SCNDDDMH 	C33H49N11O17S2	935.275	NA	PeJP	NA	NA
+PJ088361	GCCCCERY 	C34H53N11O12S4	935.2758	NA	PeJP	NA	NA
+PJ088362	GGPCCCEMH 	C34H53N11O12S4	935.2759	NA	PeJP	NA	NA
+PJ088363	GCCNDDFY 	C38H49N9O15S2	935.279	NA	PeJP	NA	NA
+PJ088364	CCCQMYW 	C39H53N9O10S4	935.2799	NA	PeJP	NA	NA
+PJ088365	PNDDDDDM 	C34H49N9O20S	935.2815	NA	PeJP	NA	NA
+PJ088366	SSCCNEMY 	C35H53N9O15S3	935.2824	NA	PeJP	NA	NA
+PJ088367	GCCNMMMF 	C36H57N9O10S5	935.2832	NA	PeJP	NA	NA
+PJ088368	GCCCNNHW 	C36H49N13O11S3	935.2837	NA	PeJP	NA	NA
+PJ088369	DDDDMYY 	C39H49N7O18S	935.2855	NA	PeJP	NA	NA
+PJ088370	SSSSTCCMM 	C32H57N9O15S4	935.2857	NA	PeJP	NA	NA
+PJ088371	GSSCCNNDH 	C32H49N13O16S2	935.2862	NA	PeJP	NA	NA
+PJ088372	SCCCKMMM 	C33H61N9O10S6	935.2866	NA	PeJP	NA	NA
+PJ088373	PCCCCDHR 	C33H53N13O11S4	935.2871	NA	PeJP	NA	NA
+PJ088374	DDMMMMY 	C37H57N7O13S4	935.2898	NA	PeJP	NA	NA
+PJ088375	GSCCDEHW 	C37H49N11O14S2	935.2902	NA	PeJP	NA	NA
+PJ088376	CCCCRYW 	C38H53N11O9S4	935.2911	NA	PeJP	NA	NA
+PJ088377	GSSSCDDEH 	C33H49N11O19S	935.2927	NA	PeJP	NA	NA
+PJ088378	GGGGGSPCDDD 	C33H49N11O19S	935.2928	NA	PeJP	NA	NA
+PJ088379	SSCCCDRY 	C34H53N11O14S3	935.2936	NA	PeJP	NA	NA
+PJ088380	MMMMMMM 	C35H65N7O8S7	935.294	NA	PeJP	NA	NA
+PJ088381	ACCCCMFR 	C35H57N11O9S5	935.2945	NA	PeJP	NA	NA
+PJ088382	GSCNDDYY 	C38H49N9O17S	935.2967	NA	PeJP	NA	NA
+PJ088383	GPCDDDEW 	C38H49N9O17S	935.2968	NA	PeJP	NA	NA
+PJ088384	GSSCCMYW 	C39H53N9O12S3	935.2976	NA	PeJP	NA	NA
+PJ088385	GNDDEEEE 	C34H49N9O22	935.2993	NA	PeJP	NA	NA
+PJ088386	GSSSSCDMY 	C35H53N9O17S2	935.3001	NA	PeJP	NA	NA
+PJ088387	GSCNMMMY 	C36H57N9O12S4	935.301	NA	PeJP	NA	NA
+PJ088388	CNNNNNDE 	C32H49N13O18S	935.304	NA	PeJP	NA	NA
+PJ088389	DDDMMFY 	C40H53N7O15S2	935.3041	NA	PeJP	NA	NA
+PJ088390	GCCDDMHR 	C33H53N13O13S3	935.3048	NA	PeJP	NA	NA
+PJ088391	GGGGGGTCCMH 	C33H53N13O13S3	935.3049	NA	PeJP	NA	NA
+PJ088392	SCCDHWW 	C41H49N11O11S2	935.3055	NA	PeJP	NA	NA
+PJ088393	SSSCDDHW 	C37H49N11O16S	935.308	NA	PeJP	NA	NA
+PJ088394	DMMMMMF 	C38H61N7O10S5	935.3084	NA	PeJP	NA	NA
+PJ088395	CNDMMHW 	C38H53N11O11S3	935.3088	NA	PeJP	NA	NA
+PJ088396	GGCDMMHW 	C38H53N11O11S3	935.3089	NA	PeJP	NA	NA
+PJ088397	GDDDDDER 	C33H49N11O21	935.3105	NA	PeJP	NA	NA
+PJ088398	SSNDDMMH 	C34H53N11O16S2	935.3114	NA	PeJP	NA	NA
+PJ088399	PCDDDWW 	C42H49N9O14S	935.312	NA	PeJP	NA	NA
+PJ088400	GTCCCMRY 	C35H57N11O11S4	935.3122	NA	PeJP	NA	NA
+PJ088401	GCCNEHHH 	C35H49N15O12S2	935.3127	NA	PeJP	NA	NA
+PJ088402	CCCQFFW 	C43H53N9O9S3	935.3129	NA	PeJP	NA	NA
+PJ088403	NDDEEEW 	C38H49N9O19	935.3145	NA	PeJP	NA	NA
+PJ088404	SSSTCCYW 	C39H53N9O14S2	935.3154	NA	PeJP	NA	NA
+PJ088405	SCCCNNHR 	C32H53N15O12S3	935.3161	NA	PeJP	NA	NA
+PJ088406	CCCKMYW 	C40H57N9O9S4	935.3162	NA	PeJP	NA	NA
+PJ088407	PPPCCCMW 	C40H57N9O9S4	935.3163	NA	PeJP	NA	NA
+PJ088408	SSSSSSCEY 	C35H53N9O19S	935.3179	NA	PeJP	NA	NA
+PJ088409	DDDDFFY 	C43H49N7O17	935.3185	NA	PeJP	NA	NA
+PJ088410	SSSCQMMY 	C36H57N9O14S3	935.3187	NA	PeJP	NA	NA
+PJ088411	EEEMMMH 	C36H57N9O14S3	935.3188	NA	PeJP	NA	NA
+PJ088412	GCNNNNDW 	C36H49N13O15S	935.3192	NA	PeJP	NA	NA
+PJ088413	GGGGGGGGGCDW 	C36H49N13O15S	935.3193	NA	PeJP	NA	NA
+PJ088414	ACCCKMMF 	C37H61N9O9S5	935.3196	NA	PeJP	NA	NA
+PJ088415	CCCEHRW 	C37H53N13O10S3	935.3201	NA	PeJP	NA	NA
+PJ088416	GSSNNNNDD 	C32H49N13O20	935.3217	NA	PeJP	NA	NA
+PJ088417	GGGGGGGGGSSDD 	C32H49N13O20	935.3218	NA	PeJP	NA	NA
+PJ088418	SDEEMYY 	C40H53N7O17S	935.3219	NA	PeJP	NA	NA
+PJ088419	SSCCDEHR 	C33H53N13O15S2	935.3226	NA	PeJP	NA	NA
+PJ088420	PCEMMYY 	C41H57N7O12S3	935.3228	NA	PeJP	NA	NA
+PJ088421	CNDDHFW 	C41H49N11O13S	935.3232	NA	PeJP	NA	NA
+PJ088422	GGCDDHFW 	C41H49N11O13S	935.3233	NA	PeJP	NA	NA
+PJ088423	SPCCCMHR 	C34H57N13O10S4	935.3235	NA	PeJP	NA	NA
+PJ088424	ACCMHWW 	C42H53N11O8S3	935.3241	NA	PeJP	NA	NA
+PJ088425	GSNNDDEW 	C37H49N11O18	935.3257	NA	PeJP	NA	NA
+PJ088426	DDDDDRW 	C37H49N11O18	935.3258	NA	PeJP	NA	NA
+PJ088427	TEMMMMY 	C38H61N7O12S4	935.3261	NA	PeJP	NA	NA
+PJ088428	GSSCEMHW 	C38H53N11O13S2	935.3266	NA	PeJP	NA	NA
+PJ088429	CMMMHHF 	C39H57N11O8S4	935.3275	NA	PeJP	NA	NA
+PJ088430	CCNHHHW 	C39H49N15O9S2	935.328	NA	PeJP	NA	NA
+PJ088431	SPCDDDER 	C34H53N11O18S	935.3291	NA	PeJP	NA	NA
+PJ088432	GDDEEWW 	C42H49N9O16	935.3298	NA	PeJP	NA	NA
+PJ088433	SSSCCMRY 	C35H57N11O13S3	935.33	NA	PeJP	NA	NA
+PJ088434	SSCNDHHH 	C35H49N15O14S	935.3305	NA	PeJP	NA	NA
+PJ088435	GCNMYYW 	C43H53N9O11S2	935.3306	NA	PeJP	NA	NA
+PJ088436	GSPDDEMW 	C39H53N9O16S	935.3331	NA	PeJP	NA	NA
+PJ088437	GAPPCDDDF 	C39H53N9O16S	935.3332	NA	PeJP	NA	NA
+PJ088438	GPPCDMMW 	C40H57N9O11S3	935.334	NA	PeJP	NA	NA
+PJ088439	GSQEEEEE 	C35H53N9O21	935.3356	NA	PeJP	NA	NA
+PJ088440	GDDDKEEE 	C35H53N9O21	935.3357	NA	PeJP	NA	NA
+PJ088441	GSSSSSMMY 	C36H57N9O16S2	935.3365	NA	PeJP	NA	NA
+PJ088442	SPNDDDHH 	C36H49N13O17	935.337	NA	PeJP	NA	NA
+PJ088443	PCDEFYY 	C44H53N7O14S	935.3372	NA	PeJP	NA	NA
+PJ088444	GTCCKMMY 	C37H61N9O11S4	935.3374	NA	PeJP	NA	NA
+PJ088445	GCNNNMHF 	C37H53N13O12S2	935.3378	NA	PeJP	NA	NA
+PJ088446	GGGCNNMHF 	C37H53N13O12S2	935.3379	NA	PeJP	NA	NA
+PJ088447	ACNNDDER 	C33H53N13O17S	935.3403	NA	PeJP	NA	NA
+PJ088448	GNNDDDMR 	C33H53N13O17S	935.3404	NA	PeJP	NA	NA
+PJ088449	AEEMMYY 	C41H57N7O14S2	935.3405	NA	PeJP	NA	NA
+PJ088450	SNNDDWW 	C41H49N11O15	935.341	NA	PeJP	NA	NA
+PJ088451	GSCDMMHR 	C34H57N13O12S3	935.3412	NA	PeJP	NA	NA
+PJ088452	SSCMHWW 	C42H53N11O10S2	935.3419	NA	PeJP	NA	NA
+PJ088453	SSSSDMHW 	C38H53N11O15S	935.3444	NA	PeJP	NA	NA
+PJ088454	VMMMMMY 	C39H65N7O9S5	935.3448	NA	PeJP	NA	NA
+PJ088455	DDEWWW 	C46H49N9O13	935.345	NA	PeJP	NA	NA
+PJ088456	SNMMMHW 	C39H57N11O10S3	935.3452	NA	PeJP	NA	NA
+PJ088457	GGGPCMMHF 	C39H57N11O10S3	935.3453	NA	PeJP	NA	NA
+PJ088458	GSDDEEER 	C34H53N11O20	935.3469	NA	PeJP	NA	NA
+PJ088459	GPDDDMMR 	C35H57N11O15S2	935.3477	NA	PeJP	NA	NA
+PJ088460	GPCDEEMR 	C35H57N11O15S2	935.3478	NA	PeJP	NA	NA
+PJ088461	GNNNDEHH 	C35H49N15O16	935.3482	NA	PeJP	NA	NA
+PJ088462	SPDDMWW 	C43H53N9O13S	935.3484	NA	PeJP	NA	NA
+PJ088463	QQMMMMH 	C36H61N11O10S4	935.3486	NA	PeJP	NA	NA
+PJ088464	GSCQMHHH 	C36H53N15O11S2	935.3491	NA	PeJP	NA	NA
+PJ088465	CCCKFFW 	C44H57N9O8S3	935.3493	NA	PeJP	NA	NA
+PJ088466	SQEEEEW 	C39H53N9O18	935.3509	NA	PeJP	NA	NA
+PJ088467	SCNNNNDR 	C32H53N15O16S	935.3516	NA	PeJP	NA	NA
+PJ088468	SNQMMYY 	C40H57N9O13S2	935.3517	NA	PeJP	NA	NA
+PJ088469	PNEEMMW 	C40H57N9O13S2	935.3518	NA	PeJP	NA	NA
+PJ088470	DDEHHHF 	C40H49N13O14	935.3522	NA	PeJP	NA	NA
+PJ088471	GPPCCHHW 	C41H53N13O9S2	935.3531	NA	PeJP	NA	NA
+PJ088472	SSSSSSTMY 	C36H57N9O18S	935.3542	NA	PeJP	NA	NA
+PJ088473	AAQEEEEM 	C36H57N9O18S	935.3543	NA	PeJP	NA	NA
+PJ088474	SPDEYYY 	C44H53N7O16	935.3549	NA	PeJP	NA	NA
+PJ088475	SSSCKMMY 	C37H61N9O13S3	935.3551	NA	PeJP	NA	NA
+PJ088476	CNNDERW 	C37H53N13O14S	935.3556	NA	PeJP	NA	NA
+PJ088477	PPCMYYY 	C45H57N7O11S2	935.3558	NA	PeJP	NA	NA
+PJ088478	TCCMHRW 	C38H57N13O9S3	935.3565	NA	PeJP	NA	NA
+PJ088479	CEHHHHH 	C38H49N17O10S	935.357	NA	PeJP	NA	NA
+PJ088480	SSNNDDER 	C33H53N13O19	935.3581	NA	PeJP	NA	NA
+PJ088481	TTEEMYY 	C41H57N7O16S	935.3583	NA	PeJP	NA	NA
+PJ088482	SSSCEMHR 	C34H57N13O14S2	935.359	NA	PeJP	NA	NA
+PJ088483	PTMMMYY 	C42H61N7O11S3	935.3591	NA	PeJP	NA	NA
+PJ088484	VDMMMFY 	C42H61N7O11S3	935.3592	NA	PeJP	NA	NA
+PJ088485	GNNEMWW 	C42H53N11O12S	935.3596	NA	PeJP	NA	NA
+PJ088486	CQMMMHR 	C35H61N13O9S4	935.3598	NA	PeJP	NA	NA
+PJ088487	GACMMMHR 	C35H61N13O9S4	935.3599	NA	PeJP	NA	NA
+PJ088488	GSCCHHHR 	C35H53N17O10S2	935.3603	NA	PeJP	NA	NA
+PJ088489	SDDEERW 	C38H53N11O17	935.3621	NA	PeJP	NA	NA
+PJ088490	GGGGGGGPEEY 	C38H53N11O17	935.3622	NA	PeJP	NA	NA
+PJ088491	PCDEMRW 	C39H57N11O12S2	935.363	NA	PeJP	NA	NA
+PJ088492	NNNDHHW 	C39H49N15O13	935.3635	NA	PeJP	NA	NA
+PJ088493	GCNFFYW 	C47H53N9O10S	935.3636	NA	PeJP	NA	NA
+PJ088494	GGGCFFYW 	C47H53N9O10S	935.3637	NA	PeJP	NA	NA
+PJ088495	NEEEEMR 	C35H57N11O17S	935.3655	NA	PeJP	NA	NA
+PJ088496	ASEEEWW 	C43H53N9O15	935.3661	NA	PeJP	NA	NA
+PJ088497	GTEEEWW 	C43H53N9O15	935.3662	NA	PeJP	NA	NA
+PJ088498	SPPCDMMR 	C36H61N11O12S3	935.3664	NA	PeJP	NA	NA
+PJ088499	SSSNMHHH 	C36H53N15O13S	935.3668	NA	PeJP	NA	NA
+PJ088500	GPCDDHHR 	C36H53N15O13S	935.3669	NA	PeJP	NA	NA
+PJ088501	GPEMMWW 	C44H57N9O10S2	935.367	NA	PeJP	NA	NA
+PJ088502	VNEEEMW 	C40H57N9O15S	935.3695	NA	PeJP	NA	NA
+PJ088503	EEFYYW 	C48H53N7O13	935.3702	NA	PeJP	NA	NA
+PJ088504	GSPPMMMW 	C41H61N9O10S3	935.3704	NA	PeJP	NA	NA
+PJ088505	GCNDRWW 	C41H53N13O11S	935.3709	NA	PeJP	NA	NA
+PJ088506	CCMMHRR 	C34H61N15O8S4	935.3711	NA	PeJP	NA	NA
+PJ088507	GSKEEEEE 	C36H57N9O20	935.372	NA	PeJP	NA	NA
+PJ088508	GPDKEEMM 	C37H61N9O15S2	935.3729	NA	PeJP	NA	NA
+PJ088509	SSSNNNQW 	C37H53N13O16	935.3733	NA	PeJP	NA	NA
+PJ088510	GSSNDDRW 	C37H53N13O16	935.3734	NA	PeJP	NA	NA
+PJ088511	APEMYYY 	C45H57N7O13S	935.3735	NA	PeJP	NA	NA
+PJ088512	APPQMMMM 	C38H65N9O10S4	935.3738	NA	PeJP	NA	NA
+PJ088513	GSPCCQRW 	C38H57N13O11S2	935.3742	NA	PeJP	NA	NA
+PJ088514	GGGGACCKHF 	C38H57N13O11S2	935.3743	NA	PeJP	NA	NA
+PJ088515	NNMWWW 	C46H53N11O9S	935.3749	NA	PeJP	NA	NA
+PJ088516	DDDEMRR 	C34H57N13O16S	935.3767	NA	PeJP	NA	NA
+PJ088517	GGGGGSEEMR 	C34H57N13O16S	935.3768	NA	PeJP	NA	NA
+PJ088518	SLEMMYY 	C42H61N7O13S2	935.3769	NA	PeJP	NA	NA
+PJ088519	SSNQEWW 	C42H53N11O14	935.3774	NA	PeJP	NA	NA
+PJ088520	GSSMMMHR 	C35H61N13O11S3	935.3776	NA	PeJP	NA	NA
+PJ088521	VMMMMFF 	C43H65N7O8S4	935.3778	NA	PeJP	NA	NA
+PJ088522	PCCNKWW 	C43H57N11O9S2	935.3782	NA	PeJP	NA	NA
+PJ088523	GGPCCKWW 	C43H57N11O9S2	935.3783	NA	PeJP	NA	NA
+PJ088524	SSSTTMHW 	C39H57N11O14S	935.3807	NA	PeJP	NA	NA
+PJ088525	GEEEMRW 	C39H57N11O14S	935.3808	NA	PeJP	NA	NA
+PJ088526	TEEWWW 	C47H53N9O12	935.3814	NA	PeJP	NA	NA
+PJ088527	GGGCCNNRR 	C32H57N17O12S2	935.3815	NA	PeJP	NA	NA
+PJ088528	TCKMMHW 	C40H61N11O9S3	935.3816	NA	PeJP	NA	NA
+PJ088529	NNMHHHF 	C40H53N15O10S	935.3821	NA	PeJP	NA	NA
+PJ088530	PMMWWW 	C48H57N9O7S2	935.3823	NA	PeJP	NA	NA
+PJ088531	SSSSTTTEH 	C35H57N11O19	935.3832	NA	PeJP	NA	NA
+PJ088532	GSTEEEER 	C35H57N11O19	935.3833	NA	PeJP	NA	NA
+PJ088533	GSPEEMMR 	C36H61N11O14S2	935.3841	NA	PeJP	NA	NA
+PJ088534	GGGGGGALEMM 	C36H61N11O14S2	935.3842	NA	PeJP	NA	NA
+PJ088535	NDEEHHR 	C36H53N15O15	935.3846	NA	PeJP	NA	NA
+PJ088536	GVEEMWW 	C44H57N9O12S	935.3848	NA	PeJP	NA	NA
+PJ088537	APPCMMMR 	C37H65N11O9S4	935.385	NA	PeJP	NA	NA
+PJ088538	CCDHFRR 	C37H57N15O10S2	935.3855	NA	PeJP	NA	NA
+PJ088539	APCHHWW 	C45H53N13O8S	935.3861	NA	PeJP	NA	NA
+PJ088540	SKEEEEW 	C40H57N9O17	935.3873	NA	PeJP	NA	NA
+PJ088541	GSCNDERR 	C33H57N15O15S	935.388	NA	PeJP	NA	NA
+PJ088542	PDKEMMW 	C41H61N9O12S2	935.3881	NA	PeJP	NA	NA
+PJ088543	GSPVEMMW 	C41H61N9O12S2	935.3882	NA	PeJP	NA	NA
+PJ088544	NNNNQFW 	C41H53N13O13	935.3886	NA	PeJP	NA	NA
+PJ088545	GGGGGGGGGAFW 	C41H53N13O13	935.3887	NA	PeJP	NA	NA
+PJ088546	PPCFFYY 	C49H57N7O10S	935.3888	NA	PeJP	NA	NA
+PJ088547	GGGPCCMRR 	C34H61N15O10S3	935.3889	NA	PeJP	NA	NA
+PJ088548	GCMHFRW 	C42H57N13O8S2	935.3895	NA	PeJP	NA	NA
+PJ088549	PTTTQEEM 	C37H61N9O17S	935.3906	NA	PeJP	NA	NA
+PJ088550	AAKEEEEM 	C37H61N9O17S	935.3907	NA	PeJP	NA	NA
+PJ088551	GLEEYYY 	C45H57N7O15	935.3913	NA	PeJP	NA	NA
+PJ088552	GPLQEMMM 	C38H65N9O12S3	935.3915	NA	PeJP	NA	NA
+PJ088553	SNNEMRW 	C38H57N13O13S	935.392	NA	PeJP	NA	NA
+PJ088554	PCLMFYY 	C46H61N7O10S2	935.3922	NA	PeJP	NA	NA
+PJ088555	GSSQWWW 	C46H53N11O11	935.3926	NA	PeJP	NA	NA
+PJ088556	GGGGGPYWW 	C46H53N11O11	935.3927	NA	PeJP	NA	NA
+PJ088557	LMMMHHH 	C39H61N13O8S3	935.3929	NA	PeJP	NA	NA
+PJ088558	TMHHHHH 	C39H53N17O9S	935.3933	NA	PeJP	NA	NA
+PJ088559	SSSNQEER 	C34H57N13O18	935.3945	NA	PeJP	NA	NA
+PJ088560	SSSTMMHR 	C35H61N13O13S2	935.3953	NA	PeJP	NA	NA
+PJ088561	NQQEMMR 	C35H61N13O13S2	935.3954	NA	PeJP	NA	NA
+PJ088562	VVMMMYY 	C43H65N7O10S3	935.3955	NA	PeJP	NA	NA
+PJ088563	GSNNDHHR 	C35H53N17O14	935.3958	NA	PeJP	NA	NA
+PJ088564	GGGGGSDHHR 	C35H53N17O14	935.3959	NA	PeJP	NA	NA
+PJ088565	EEMRWW 	C43H57N11O11S	935.396	NA	PeJP	NA	NA
+PJ088566	CKMMMHR 	C36H65N13O8S4	935.3962	NA	PeJP	NA	NA
+PJ088567	PDFWWW 	C51H53N9O9	935.3967	NA	PeJP	NA	NA
+PJ088568	STEEERW 	C39H57N11O16	935.3985	NA	PeJP	NA	NA
+PJ088569	SPEMMRW 	C40H61N11O11S2	935.3994	NA	PeJP	NA	NA
+PJ088570	SNQQHHW 	C40H53N15O12	935.3998	NA	PeJP	NA	NA
+PJ088571	GDEHHRW 	C40H53N15O12	935.3999	NA	PeJP	NA	NA
+PJ088572	VEMWWW 	C48H57N9O9S	935.4	NA	PeJP	NA	NA
+PJ088573	DKEEEMR 	C36H61N11O16S	935.4019	NA	PeJP	NA	NA
+PJ088574	SSLEEWW 	C44H57N9O14	935.4025	NA	PeJP	NA	NA
+PJ088575	AAPEMMMR 	C37H65N11O11S3	935.4028	NA	PeJP	NA	NA
+PJ088576	SCNDRRW 	C37H57N15O12S	935.4032	NA	PeJP	NA	NA
+PJ088577	GGGGGGGLMHH 	C37H57N15O12S	935.4033	NA	PeJP	NA	NA
+PJ088578	SPVMMWW 	C45H61N9O9S2	935.4034	NA	PeJP	NA	NA
+PJ088579	AAEHHWW 	C45H53N13O10	935.4039	NA	PeJP	NA	NA
+PJ088580	SSSNDDRR 	C33H57N15O17	935.4057	NA	PeJP	NA	NA
+PJ088581	VDKEEMW 	C41H61N9O14S	935.4059	NA	PeJP	NA	NA
+PJ088582	LEYYYW 	C49H57N7O12	935.4065	NA	PeJP	NA	NA
+PJ088583	APEFFYY 	C49H57N7O12	935.4066	NA	PeJP	NA	NA
+PJ088584	PLQMMMW 	C42H65N9O9S3	935.4068	NA	PeJP	NA	NA
+PJ088585	GSNMRWW 	C42H57N13O10S	935.4072	NA	PeJP	NA	NA
+PJ088586	GGGSMRWW 	C42H57N13O10S	935.4073	NA	PeJP	NA	NA
+PJ088587	NHFFWW 	C50H53N11O8	935.4079	NA	PeJP	NA	NA
+PJ088588	ATTKEEEE 	C37H61N9O19	935.4084	NA	PeJP	NA	NA
+PJ088589	APTKEEMM 	C38H65N9O14S2	935.4093	NA	PeJP	NA	NA
+PJ088590	GSSSQERW 	C38H57N13O15	935.4097	NA	PeJP	NA	NA
+PJ088591	GGGSSTERW 	C38H57N13O15	935.4098	NA	PeJP	NA	NA
+PJ088592	SPLMYYY 	C46H61N7O12S	935.4099	NA	PeJP	NA	NA
+PJ088593	APPKMMMM 	C39H69N9O9S4	935.4102	NA	PeJP	NA	NA
+PJ088594	GQQMMRW 	C39H61N13O10S2	935.4106	NA	PeJP	NA	NA
+PJ088595	GSPQHHHH 	C39H53N17O11	935.4111	NA	PeJP	NA	NA
+PJ088596	CQKWWW 	C47H57N11O8S	935.4113	NA	PeJP	NA	NA
+PJ088597	SEEEMRR 	C35H61N13O15S	935.4131	NA	PeJP	NA	NA
+PJ088598	SSNKEWW 	C43H57N11O13	935.4138	NA	PeJP	NA	NA
+PJ088599	PDMMMRR 	C36H65N13O10S3	935.414	NA	PeJP	NA	NA
+PJ088600	CQQQHHR 	C36H57N17O11S	935.4144	NA	PeJP	NA	NA
+PJ088601	NNQMHHR 	C36H57N17O11S	935.4145	NA	PeJP	NA	NA
+PJ088602	PPCMFRW 	C44H61N11O8S2	935.4146	NA	PeJP	NA	NA
+PJ088603	DHHRWW 	C44H53N15O9	935.4151	NA	PeJP	NA	NA
+PJ088604	SVEEMRW 	C40H61N11O13S	935.4171	NA	PeJP	NA	NA
+PJ088605	GGGATKEMW 	C40H61N11O13S	935.4172	NA	PeJP	NA	NA
+PJ088606	GPVEYWW 	C48H57N9O11	935.4178	NA	PeJP	NA	NA
+PJ088607	PCLMMRW 	C41H65N11O8S3	935.418	NA	PeJP	NA	NA
+PJ088608	PTCHHRW 	C41H57N15O9S	935.4185	NA	PeJP	NA	NA
+PJ088609	SSSLEEER 	C36H61N11O18	935.4196	NA	PeJP	NA	NA
+PJ088610	GGSSDKKEE 	C36H61N11O18	935.4197	NA	PeJP	NA	NA
+PJ088611	LQEEMMR 	C37H65N11O13S2	935.4205	NA	PeJP	NA	NA
+PJ088612	NNNQQRY 	C37H57N15O14	935.421	NA	PeJP	NA	NA
+PJ088613	ANKMFYY 	C45H61N9O11S	935.4211	NA	PeJP	NA	NA
+PJ088614	ATLEMWW 	C45H61N9O11S	935.4212	NA	PeJP	NA	NA
+PJ088615	KKMMMMH 	C38H69N11O8S4	935.4214	NA	PeJP	NA	NA
+PJ088616	ACNMRRW 	C38H61N15O9S2	935.4218	NA	PeJP	NA	NA
+PJ088617	GCQMRRW 	C38H61N15O9S2	935.4219	NA	PeJP	NA	NA
+PJ088618	SSSTTKYY 	C41H61N9O16	935.4236	NA	PeJP	NA	NA
+PJ088619	GTTTLEEW 	C41H61N9O16	935.4237	NA	PeJP	NA	NA
+PJ088620	ASSCQERR 	C34H61N15O14S	935.4243	NA	PeJP	NA	NA
+PJ088621	GSSNEMRR 	C34H61N15O14S	935.4244	NA	PeJP	NA	NA
+PJ088622	VLQEMMW 	C42H65N9O11S2	935.4245	NA	PeJP	NA	NA
+PJ088623	SSSQRWW 	C42H57N13O12	935.425	NA	PeJP	NA	NA
+PJ088624	PCLFFFY 	C50H61N7O9S	935.4252	NA	PeJP	NA	NA
+PJ088625	CNNHHRR 	C35H57N19O10S	935.4257	NA	PeJP	NA	NA
+PJ088626	GTLKEEEM 	C38H65N9O16S	935.427	NA	PeJP	NA	NA
+PJ088627	SVLEYYY 	C46H61N7O14	935.4277	NA	PeJP	NA	NA
+PJ088628	GPLKEMMM 	C39H69N9O11S3	935.4279	NA	PeJP	NA	NA
+PJ088629	SNDKMRW 	C39H61N13O12S	935.4284	NA	PeJP	NA	NA
+PJ088630	VVMMFFY 	C47H65N7O9S2	935.4286	NA	PeJP	NA	NA
+PJ088631	GSSKWWW 	C47H57N11O10	935.429	NA	PeJP	NA	NA
+PJ088632	SSSNKEER 	C35H61N13O17	935.4309	NA	PeJP	NA	NA
+PJ088633	CLEEMRR 	C36H65N13O12S2	935.4317	NA	PeJP	NA	NA
+PJ088634	VDEMMRR 	C36H65N13O12S2	935.4318	NA	PeJP	NA	NA
+PJ088635	SDEHHRR 	C36H57N17O13	935.4322	NA	PeJP	NA	NA
+PJ088636	GGGGGGGGAPHR 	C36H57N17O13	935.4323	NA	PeJP	NA	NA
+PJ088637	GTQKMWW 	C44H61N11O10S	935.4324	NA	PeJP	NA	NA
+PJ088638	PVYWWW 	C52H57N9O8	935.433	NA	PeJP	NA	NA
+PJ088639	GPPFFWW 	C52H57N9O8	935.4331	NA	PeJP	NA	NA
+PJ088640	GSSDKKEW 	C40H61N11O15	935.4349	NA	PeJP	NA	NA
+PJ088641	GSSCDRRR 	C33H61N17O13S	935.4356	NA	PeJP	NA	NA
+PJ088642	ALEMMRW 	C41H65N11O10S2	935.4358	NA	PeJP	NA	NA
+PJ088643	ATEHHRW 	C41H57N15O11	935.4362	NA	PeJP	NA	NA
+PJ088644	GGGGTKHHW 	C41H57N15O11	935.4363	NA	PeJP	NA	NA
+PJ088645	GPLMFWW 	C49H61N9O8S	935.4364	NA	PeJP	NA	NA
+PJ088646	GTTLEEMR 	C37H65N11O15S	935.4383	NA	PeJP	NA	NA
+PJ088647	TTTLEWW 	C45H61N9O13	935.4389	NA	PeJP	NA	NA
+PJ088648	GPTLMMMR 	C38H69N11O10S3	935.4391	NA	PeJP	NA	NA
+PJ088649	GGGPKKMMM 	C38H69N11O10S3	935.4392	NA	PeJP	NA	NA
+PJ088650	SSNMRRW 	C38H61N15O11S	935.4396	NA	PeJP	NA	NA
+PJ088651	GLLMMWW 	C46H65N9O8S2	935.4398	NA	PeJP	NA	NA
+MJ098142	Hydra RFamides; Hydra RFamide II 	C46H57N13O9	935.44022	NA	MeJP	NA	NA
+PJ088652	NQFRWW 	C46H57N13O9	935.4403	NA	PeJP	NA	NA
+PJ088653	SSSSQERR 	C34H61N15O16	935.4421	NA	PeJP	NA	NA
+PJ088654	TLKEEMW 	C42H65N9O13S	935.4423	NA	PeJP	NA	NA
+PJ088655	APLFYYY 	C50H61N7O11	935.4429	NA	PeJP	NA	NA
+PJ088656	SQQMMRR 	C35H65N15O11S2	935.443	NA	PeJP	NA	NA
+PJ088657	PLKMMMW 	C43H69N9O8S3	935.4432	NA	PeJP	NA	NA
+PJ088658	GTCKRWW 	C43H61N13O9S	935.4436	NA	PeJP	NA	NA
+PJ088659	STTLKEEE 	C38H65N9O18	935.4448	NA	PeJP	NA	NA
+PJ088660	GVLKEEMM 	C39H69N9O13S2	935.4457	NA	PeJP	NA	NA
+PJ088661	GSSSKERW 	C39H61N13O14	935.4461	NA	PeJP	NA	NA
+PJ088662	GGGGGALERY 	C39H61N13O14	935.4462	NA	PeJP	NA	NA
+PJ088663	ALLMYYY 	C47H65N7O11S	935.4463	NA	PeJP	NA	NA
+PJ088664	GQKMMRW 	C40H65N13O9S2	935.447	NA	PeJP	NA	NA
+PJ088665	GSPKHHHH 	C40H57N17O10	935.4475	NA	PeJP	NA	NA
+PJ088666	CKKWWW 	C48H61N11O7S	935.4477	NA	PeJP	NA	NA
+PJ088667	GSTQKEMR 	C36H65N13O14S	935.4495	NA	PeJP	NA	NA
+PJ088668	SSDKKWW 	C44H61N11O12	935.4501	NA	PeJP	NA	NA
+PJ088669	GGTTTKWW 	C44H61N11O12	935.4502	NA	PeJP	NA	NA
+PJ088670	APCCKKMR 	C37H69N13O9S3	935.4504	NA	PeJP	NA	NA
+PJ088671	AEMHHRR 	C37H61N17O10S	935.4508	NA	PeJP	NA	NA
+PJ088672	VCEHHRR 	C37H61N17O10S	935.4509	NA	PeJP	NA	NA
+PJ088673	GPHHFRW 	C45H57N15O8	935.4515	NA	PeJP	NA	NA
+PJ088674	TTLEMRW 	C41H65N11O12S	935.4535	NA	PeJP	NA	NA
+PJ088675	GGGGGGALLMF 	C41H65N11O12S	935.4536	NA	PeJP	NA	NA
+PJ088676	APTLYWW 	C49H61N9O10	935.4542	NA	PeJP	NA	NA
+PJ088677	GLMHHRW 	C42H61N15O8S	935.4549	NA	PeJP	NA	NA
+PJ088678	STTTLEER 	C37H65N11O17	935.456	NA	PeJP	NA	NA
+PJ088679	LKEEMMR 	C38H69N11O12S2	935.4569	NA	PeJP	NA	NA
+PJ088680	NNNQKRY 	C38H61N15O13	935.4573	NA	PeJP	NA	NA
+PJ088681	GSSSTRRW 	C38H61N15O13	935.4574	NA	PeJP	NA	NA
+PJ088682	STLLMWW 	C46H65N9O10S	935.4575	NA	PeJP	NA	NA
+PJ088683	GGPLLMYW 	C46H65N9O10S	935.4576	NA	PeJP	NA	NA
+PJ088684	GCKMRRW 	C39H65N15O8S2	935.4582	NA	PeJP	NA	NA
+PJ088685	VNHHHHR 	C39H57N19O9	935.4587	NA	PeJP	NA	NA
+PJ088686	SSTTLLEW 	C42H65N9O15	935.46	NA	PeJP	NA	NA
+PJ088687	GPTLKEEY 	C42H65N9O15	935.4601	NA	PeJP	NA	NA
+PJ088688	GSSDKMRR 	C35H65N15O13S	935.4607	NA	PeJP	NA	NA
+PJ088689	GGGGSSCKKR 	C35H65N15O13S	935.4608	NA	PeJP	NA	NA
+PJ088690	VLKEMMW 	C43H69N9O10S2	935.4609	NA	PeJP	NA	NA
+PJ088691	SSSKRWW 	C43H61N13O11	935.4614	NA	PeJP	NA	NA
+PJ088692	VVMFFFF 	C51H65N7O8S	935.4616	NA	PeJP	NA	NA
+PJ088693	SSLLKEEM 	C39H69N9O15S	935.4634	NA	PeJP	NA	NA
+PJ088694	TTLLYYY 	C47H65N7O13	935.4641	NA	PeJP	NA	NA
+PJ088695	SPVLKMMM 	C40H73N9O10S3	935.4643	NA	PeJP	NA	NA
+PJ088696	STQKMRW 	C40H65N13O11S	935.4647	NA	PeJP	NA	NA
+PJ088697	TTNKMRW 	C40H65N13O11S	935.4648	NA	PeJP	NA	NA
+PJ088698	LEFRWW 	C48H61N11O9	935.4654	NA	PeJP	NA	NA
+PJ088699	SCCRRRR 	C33H65N19O9S2	935.4655	NA	PeJP	NA	NA
+PJ088700	SSSSSPTKR 	C36H65N13O16	935.4672	NA	PeJP	NA	NA
+PJ088701	SSSDKKER 	C36H65N13O16	935.4673	NA	PeJP	NA	NA
+PJ088702	TLEMMRR 	C37H69N13O11S2	935.4681	NA	PeJP	NA	NA
+PJ088703	GGGGACKKKM 	C37H69N13O11S2	935.4682	NA	PeJP	NA	NA
+PJ088704	GNDRRRY 	C37H61N17O12	935.4686	NA	PeJP	NA	NA
+PJ088705	GTKKMWW 	C45H65N11O9S	935.4688	NA	PeJP	NA	NA
+PJ088706	VLFWWW 	C53H61N9O7	935.4694	NA	PeJP	NA	NA
+PJ088707	GHHHHRR 	C38H57N21O8	935.47	NA	PeJP	NA	NA
+PJ088708	GSTTKKEW 	C41H65N11O14	935.4713	NA	PeJP	NA	NA
+PJ088709	GSSSMRRR 	C34H65N17O12S	935.472	NA	PeJP	NA	NA
+PJ088710	SLLMMRW 	C42H69N11O9S2	935.4721	NA	PeJP	NA	NA
+PJ088711	GGVKKMMW 	C42H69N11O9S2	935.4722	NA	PeJP	NA	NA
+PJ088712	QQRRYW 	C42H61N15O10	935.4726	NA	PeJP	NA	NA
+PJ088713	SSTLLEMR 	C38H69N11O14S	935.4746	NA	PeJP	NA	NA
+PJ088714	SSTILEMR 	C38H69N11O14S	935.4747	NA	PeJP	NA	NA
+PJ088715	PTLKEYW 	C46H65N9O12	935.4753	NA	PeJP	NA	NA
+PJ088716	AALLMMMR 	C39H73N11O9S3	935.4755	NA	PeJP	NA	NA
+PJ088717	STCKRRW 	C39H65N15O10S	935.476	NA	PeJP	NA	NA
+PJ088718	NKFRWW 	C47H61N13O8	935.4766	NA	PeJP	NA	NA
+PJ088719	GGKFRWW 	C47H61N13O8	935.4767	NA	PeJP	NA	NA
+PJ088720	SSSSKERR 	C35H65N15O15	935.4785	NA	PeJP	NA	NA
+PJ088721	SSSLLLMW 	C43H69N9O12S	935.4787	NA	PeJP	NA	NA
+PJ088722	ALLFFYY 	C51H65N7O10	935.4793	NA	PeJP	NA	NA
+PJ088723	SQKMMRR 	C36H69N15O10S2	935.4794	NA	PeJP	NA	NA
+PJ088724	PPLMHRW 	C44H65N13O8S	935.48	NA	PeJP	NA	NA
+PJ088725	SSSSTLLLE 	C39H69N9O17	935.4812	NA	PeJP	NA	NA
+PJ088726	STLLLQMM 	C40H73N9O12S2	935.482	NA	PeJP	NA	NA
+PJ088727	ATLLKEMM 	C40H73N9O12S2	935.4821	NA	PeJP	NA	NA
+PJ088728	GSTTTKRW 	C40H65N13O13	935.4825	NA	PeJP	NA	NA
+PJ088729	GGGGGGGPPPVK 	C40H65N13O13	935.4826	NA	PeJP	NA	NA
+PJ088730	GKKMMRW 	C41H69N13O8S2	935.4834	NA	PeJP	NA	NA
+PJ088731	GPQHRRW 	C41H61N17O9	935.4839	NA	PeJP	NA	NA
+PJ088732	GSTKKEMR 	C37H69N13O13S	935.4859	NA	PeJP	NA	NA
+PJ088733	STTKKWW 	C45H65N11O11	935.4865	NA	PeJP	NA	NA
+PJ088734	GGGGVLKYW 	C45H65N11O11	935.4866	NA	PeJP	NA	NA
+PJ088735	VLMMMRR 	C38H73N13O8S3	935.4868	NA	PeJP	NA	NA
+PJ088736	GNMFRRR 	C38H65N17O9S	935.4872	NA	PeJP	NA	NA
+PJ088737	SSSSTRRR 	C34H65N17O14	935.4897	NA	PeJP	NA	NA
+PJ088738	SKKKEMW 	C42H69N11O11S	935.4899	NA	PeJP	NA	NA
+PJ088739	GVLLYWW 	C50H65N9O9	935.4906	NA	PeJP	NA	NA
+PJ088740	SSTKKKEE 	C38H69N11O16	935.4924	NA	PeJP	NA	NA
+PJ088741	ATTLLMMR 	C39H73N11O11S2	935.4933	NA	PeJP	NA	NA
+PJ088742	ANKERRY 	C39H65N15O12	935.4937	NA	PeJP	NA	NA
+PJ088743	GQKERRY 	C39H65N15O12	935.4938	NA	PeJP	NA	NA
+PJ088744	PVLKMYW 	C47H69N9O9S	935.4939	NA	PeJP	NA	NA
+PJ088745	PPHHHRR 	C40H61N19O8	935.4951	NA	PeJP	NA	NA
+PJ088746	TTTTTLLW 	C43H69N9O14	935.4964	NA	PeJP	NA	NA
+PJ088747	AAPPPILEE 	C43H69N9O14	935.4965	NA	PeJP	NA	NA
+3475	alpha amylase ligand from Hordeum vulgare	TRWLVYFSRPYLVAT	935.497	MH2+	Inhouse_peptide	NA	peptide
+PJ088748	GSTTKMRR 	C36H69N15O12S	935.4971	NA	PeJP	NA	NA
+PJ088749	GPLLKMMF 	C44H73N9O9S2	935.4973	NA	PeJP	NA	NA
+PJ088750	GVQKRYW 	C44H65N13O10	935.4978	NA	PeJP	NA	NA
+PJ088751	TTTLLKEM 	C40H73N9O14S	935.4998	NA	PeJP	NA	NA
+PJ088752	GLLLKMMM 	C41H77N9O9S3	935.5007	NA	PeJP	NA	NA
+PJ088753	STKKMRW 	C41H69N13O10S	935.5011	NA	PeJP	NA	NA
+PJ088754	GGPKKMRY 	C41H69N13O10S	935.5012	NA	PeJP	NA	NA
+PJ088755	LLRYWW 	C49H65N11O8	935.5018	NA	PeJP	NA	NA
+PJ088756	SSTTKKER 	C37H69N13O15	935.5036	NA	PeJP	NA	NA
+PJ088757	GGGSSSTKKK 	C37H69N13O15	935.5037	NA	PeJP	NA	NA
+PJ088758	DKKKMMR 	C38H73N13O10S2	935.5045	NA	PeJP	NA	NA
+PJ088759	GTQRRRY 	C38H65N17O11	935.505	NA	PeJP	NA	NA
+PJ088760	ALLMFRW 	C46H69N11O8S	935.5052	NA	PeJP	NA	NA
+PJ088761	SSSTLKKW 	C42H69N11O13	935.5077	NA	PeJP	NA	NA
+PJ088762	CLKKKMW 	C43H73N11O8S2	935.5085	NA	PeJP	NA	NA
+PJ088763	QKRRYW 	C43H65N15O9	935.509	NA	PeJP	NA	NA
+PJ088764	TTTTLLMR 	C39H73N11O13S	935.511	NA	PeJP	NA	NA
+PJ088765	VVLKEYW 	C47H69N9O11	935.5117	NA	PeJP	NA	NA
+PJ088766	AQKMFRR 	C40H69N15O9S	935.5124	NA	PeJP	NA	NA
+PJ088767	SSTTTKRR 	C36H69N15O14	935.5149	NA	PeJP	NA	NA
+PJ088768	APTLLKMY 	C44H73N9O11S	935.5151	NA	PeJP	NA	NA
+PJ088769	SKKMMRR 	C37H73N15O9S2	935.5157	NA	PeJP	NA	NA
+PJ088770	SPQHRRR 	C37H65N19O10	935.5162	NA	PeJP	NA	NA
+PJ088771	SSTTTTILL 	C40H73N9O16	935.5175	NA	PeJP	NA	NA
+PJ088772	SSTTTTLLL 	C40H73N9O16	935.5176	NA	PeJP	NA	NA
+PJ088773	STLLLKMM 	C41H77N9O11S2	935.5184	NA	PeJP	NA	NA
+PJ088774	SLLERRY 	C41H69N13O12	935.5189	NA	PeJP	NA	NA
+PJ088775	GPKHRRW 	C42H65N17O8	935.5203	NA	PeJP	NA	NA
+PJ088776	SSSLKKMR 	C38H73N13O12S	935.5223	NA	PeJP	NA	NA
+PJ088777	SVLLRYW 	C46H69N11O10	935.5229	NA	PeJP	NA	NA
+PJ088778	ACKFRRR 	C39H69N17O8S	935.5236	NA	PeJP	NA	NA
+PJ088779	LLLQMRY 	C43H73N11O10S	935.5263	NA	PeJP	NA	NA
+PJ088780	PVLKFFW 	C51H69N9O8	935.527	NA	PeJP	NA	NA
+PJ088781	TTTTKKKE 	C39H73N11O15	935.5288	NA	PeJP	NA	NA
+PJ088782	GTLKKKMM 	C40H77N11O10S2	935.5297	NA	PeJP	NA	NA
+PJ088783	GKKERRY 	C40H69N15O11	935.5301	NA	PeJP	NA	NA
+PJ088784	GPPPKERR 	C40H69N15O11	935.5302	NA	PeJP	NA	NA
+PJ088785	VLLKMFW 	C48H73N9O8S	935.5303	NA	PeJP	NA	NA
+PJ088786	GTLLLKEY 	C44H73N9O13	935.5328	NA	PeJP	NA	NA
+PJ088787	GVKKRYW 	C45H69N13O9	935.5342	NA	PeJP	NA	NA
+PJ088788	VVLMRRY 	C42H73N13O9S	935.5375	NA	PeJP	NA	NA
+PJ088789	TTTTTKKR 	C38H73N13O14	935.54	NA	PeJP	NA	NA
+PJ088790	ACCKKKKK 	C39H77N13O9S2	935.5409	NA	PeJP	NA	NA
+PJ088791	GTKRRRY 	C39H69N17O10	935.5414	NA	PeJP	NA	NA
+PJ088792	LQKKKEY 	C43H73N11O12	935.544	NA	PeJP	NA	NA
+PJ088793	GTTLLLRY 	C43H73N11O12	935.5441	NA	PeJP	NA	NA
+PJ088794	KKRRYW 	C44H69N15O8	935.5454	NA	PeJP	NA	NA
+PJ088795	STTLKKKM 	C40H77N11O12S	935.5474	NA	PeJP	NA	NA
+PJ088796	TLLLKYW 	C48H73N9O10	935.5481	NA	PeJP	NA	NA
+PJ088797	AKKMFRR 	C41H73N15O8S	935.5488	NA	PeJP	NA	NA
+PJ088798	GVLLLKMY 	C45H77N9O10S	935.5515	NA	PeJP	NA	NA
+PJ088799	SPKHRRR 	C38H69N19O9	935.5526	NA	PeJP	NA	NA
+PJ088800	VDKKKRY 	C42H73N13O11	935.5553	NA	PeJP	NA	NA
+PJ088801	SSCKKKKK 	C39H77N13O11S	935.5587	NA	PeJP	NA	NA
+PJ088802	ALKKKYW 	C47H73N11O9	935.5593	NA	PeJP	NA	NA
+PJ088803	LLLKMRY 	C44H77N11O9S	935.5627	NA	PeJP	NA	NA
+PJ088804	GVHRRRR 	C37H69N21O8	935.5639	NA	PeJP	NA	NA
+PJ088805	SVKKRRY 	C41H73N15O10	935.5665	NA	PeJP	NA	NA
+PJ088806	SSLLLLKY 	C45H77N9O12	935.5692	NA	PeJP	NA	NA
+PJ088807	VLLLHRW 	C46H73N13O8	935.5706	NA	PeJP	NA	NA
+PJ088808	VKKKMFR 	C43H77N13O8S	935.5739	NA	PeJP	NA	NA
+PJ088809	HRRRRR 	C36H69N23O7	935.5751	NA	PeJP	NA	NA
+PJ088810	AAPPLRRR 	C40H73N17O9	935.5778	NA	PeJP	NA	NA
+PJ088811	LKKKKEY 	C44H77N11O11	935.5804	NA	PeJP	NA	NA
+PJ088812	PPVLLLER 	C44H77N11O11	935.5805	NA	PeJP	NA	NA
+PJ088813	PPVVLLLW 	C49H77N9O9	935.5845	NA	PeJP	NA	NA
+PJ088814	PPVRRRR 	C39H73N19O8	935.589	NA	PeJP	NA	NA
+PJ088815	TLKKKRY 	C43H77N13O10	935.5917	NA	PeJP	NA	NA
+PJ088816	LLLKFFR 	C48H77N11O8	935.5957	NA	PeJP	NA	NA
+3232	bombolitin IV from venom of bumble bee (Megabombus	INIKDILAKLVKVLGHV~	935.5959	MH2+	Inhouse_peptide	NA	peptide
+PJ088817	GPPLLKRR 	C42H77N15O9	935.6029	NA	PeJP	NA	NA
+PJ088818	GPPTLLLLL 	C46H81N9O11	935.6056	NA	PeJP	NA	NA
+PJ088819	VLKKHRR 	C41H77N17O8	935.6141	NA	PeJP	NA	NA
+PJ088820	SLLLLLKH 	C45H81N11O10	935.6168	NA	PeJP	NA	NA
+PJ088821	PPVVLKKR 	C44H81N13O9	935.6281	NA	PeJP	NA	NA
+PJ088822	AAPLLLLLL 	C47H85N9O10	935.642	NA	PeJP	NA	NA
+PJ088823	PVLLLLLR 	C46H85N11O9	935.6532	NA	PeJP	NA	NA
+MJ098143	Bastadin 13 	C34H28Br4N4O8	935.864064	NA	MeJP	NA	NA
+MJ098144	Bastadin 16; 11,30-Bisdebromo, 16-bromo 	C34H28Br4N4O8	935.864064	NA	MeJP	NA	NA
+MJ098145	Bastadin 4; 16-Debromo, 5,6-dihydro 	C34H28Br4N4O8	935.864064	NA	MeJP	NA	NA
+MJ098146	1,2:4,6-Bis(hexahydroxydiphenoyl)glucose; (S)axial-?-D-pyranose-form, 3-O-(3,4,5-Trihydroxybenzoyl) 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098147	2,3:4,6-Bis(hexahydroxydiphenoyl)glucose; (2,3-R:4,6-S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098148	2,3:4,6-Bis(hexahydroxydiphenoyl)glucose; (S,S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098149	2,3:4,6-Bis(hexahydroxydiphenoyl)glucose; (S,S)axial-?-D-pyranose-form, 1-O-(3,4,5-Trihydroxybenzoyl) 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098150	Bixanin 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098151	Casuarinin 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098152	Liquidambin 	C41H28O26	936.086881	NA	MeJP	NA	NA
+MJ098153	Pedunculagin; 1-O-(3,4,5-Trihydroxybenzoyl) (1?-) 	C41H28O26	936.086881	NA	MeJP	NA	NA
+C10212	Casuarictin	C41H28O26	936.0869	NA	KEGG	NA	NA
+C10213	Casuarinin	C41H28O26	936.0869	NA	KEGG	NA	NA
+MJ098154	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3''-Bis-O-(3,4,5-trihydroxybenzoyl) 4'',6''-O-(S)-hexahydroxydiphenoyl 	C42H32O25	936.123266	NA	MeJP	NA	NA
+PJ088824	GCCCCCCNE 	C29H48N10O13S6	936.1727	NA	PeJP	NA	NA
+PJ088825	CCCCCCNW 	C33H48N10O10S6	936.188	NA	PeJP	NA	NA
+PJ088826	SSCCCCCND 	C29H48N10O15S5	936.1905	NA	PeJP	NA	NA
+PJ088827	CCCCDEMM 	C31H52N8O13S6	936.1979	NA	PeJP	NA	NA
+PJ088828	GSCCCCCQM 	C30H52N10O12S6	936.2091	NA	PeJP	NA	NA
+PJ088829	CCCCDDEF 	C34H48N8O15S4	936.2122	NA	PeJP	NA	NA
+PJ088830	CCCCCEHH 	C32H48N12O11S5	936.217	NA	PeJP	NA	NA
+PJ088831	GSCCCCCCR 	C29H52N12O11S6	936.2203	NA	PeJP	NA	NA
+PJ088832	CCDDDDDH 	C32H44N10O19S2	936.2226	NA	PeJP	NA	NA
+PJ088833	CCCCNNDY 	C33H48N10O14S4	936.2235	NA	PeJP	NA	NA
+PJ088834	SSSCCCCNM 	C30H52N10O14S5	936.2268	NA	PeJP	NA	NA
+PJ088835	SCCCDDEY 	C34H48N8O17S3	936.23	NA	PeJP	NA	NA
+PJ088836	PCCCCDMY 	C35H52N8O12S5	936.2309	NA	PeJP	NA	NA
+PJ088837	SCCCEMMM 	C32H56N8O12S6	936.2342	NA	PeJP	NA	NA
+PJ088838	CCCCNNMF 	C34H52N10O11S5	936.2421	NA	PeJP	NA	NA
+PJ088839	GSSSSTCCCC 	C30H52N10O16S4	936.2446	NA	PeJP	NA	NA
+PJ088840	GSCCCCCKM 	C31H56N10O11S6	936.2455	NA	PeJP	NA	NA
+PJ088841	GCCDDMMY 	C35H52N8O14S4	936.2486	NA	PeJP	NA	NA
+PJ088842	PCCCCMMF 	C36H56N8O9S6	936.2495	NA	PeJP	NA	NA
+PJ088843	CCCNNDEH 	C32H48N12O15S3	936.2525	NA	PeJP	NA	NA
+PJ088844	GCCMMMMM 	C33H60N8O9S7	936.2529	NA	PeJP	NA	NA
+PJ088845	TCCCCMHH 	C33H52N12O10S5	936.2533	NA	PeJP	NA	NA
+PJ088846	NNDDDDDD 	C32H44N10O23	936.2581	NA	PeJP	NA	NA
+PJ088847	SCDDDDMH 	C33H48N10O18S2	936.259	NA	PeJP	NA	NA
+PJ088848	SCCCNNMY 	C34H52N10O13S4	936.2598	NA	PeJP	NA	NA
+PJ088849	GGSCCCNMY 	C34H52N10O13S4	936.2599	NA	PeJP	NA	NA
+PJ088850	SSSSSSSCCC 	C30H52N10O18S3	936.2623	NA	PeJP	NA	NA
+PJ088851	GCCDDDFY 	C38H48N8O16S2	936.263	NA	PeJP	NA	NA
+PJ088852	SSTCCCCCK 	C31H56N10O13S5	936.2632	NA	PeJP	NA	NA
+PJ088853	CCCEMYW 	C39H52N8O11S4	936.2639	NA	PeJP	NA	NA
+PJ088854	PDDDDDDM 	C34H48N8O21S	936.2655	NA	PeJP	NA	NA
+PJ088855	SSCCDEMY 	C35H52N8O16S3	936.2664	NA	PeJP	NA	NA
+PJ088856	SPCCCMMY 	C36H56N8O11S5	936.2672	NA	PeJP	NA	NA
+PJ088857	GCCDMMMF 	C36H56N8O11S5	936.2673	NA	PeJP	NA	NA
+PJ088858	GCCCNDHW 	C36H48N12O12S3	936.2677	NA	PeJP	NA	NA
+PJ088859	GSSCCNDDH 	C32H48N12O17S2	936.2702	NA	PeJP	NA	NA
+PJ088860	STCCMMMM 	C33H60N8O11S6	936.2706	NA	PeJP	NA	NA
+PJ088861	GSPCCCCQH 	C33H52N12O12S4	936.2711	NA	PeJP	NA	NA
+PJ088862	GSPCNDDDD 	C33H48N10O20S	936.2768	NA	PeJP	NA	NA
+PJ088863	GSSSCCCQY 	C34H52N10O15S3	936.2776	NA	PeJP	NA	NA
+PJ088864	CCCCCQKF 	C35H56N10O10S5	936.2785	NA	PeJP	NA	NA
+PJ088865	GSCDDDYY 	C38H48N8O18S	936.2808	NA	PeJP	NA	NA
+PJ088866	GPCCCEYY 	C39H52N8O13S3	936.2816	NA	PeJP	NA	NA
+PJ088867	GDDDEEEE 	C34H48N8O23	936.2833	NA	PeJP	NA	NA
+PJ088868	GSCDMMMY 	C36H56N8O13S4	936.285	NA	PeJP	NA	NA
+PJ088869	GCCCMHHF 	C37H52N12O9S4	936.2864	NA	PeJP	NA	NA
+PJ088870	CNNNNDDE 	C32H48N12O19S	936.288	NA	PeJP	NA	NA
+PJ088871	SCCNNEMH 	C33H52N12O14S3	936.2888	NA	PeJP	NA	NA
+PJ088872	GGSCCNEMH 	C33H52N12O14S3	936.2889	NA	PeJP	NA	NA
+PJ088873	GCDDDEHF 	C37H48N10O17S	936.292	NA	PeJP	NA	NA
+PJ088874	CDDMMHW 	C38H52N10O12S3	936.2929	NA	PeJP	NA	NA
+PJ088875	SNNDDDEE 	C33H48N10O22	936.2945	NA	PeJP	NA	NA
+PJ088876	SSSSSCCNY 	C34H52N10O17S2	936.2954	NA	PeJP	NA	NA
+PJ088877	SCCCCQKY 	C35H56N10O12S4	936.2962	NA	PeJP	NA	NA
+PJ088878	GGPPPTCCCC 	C35H56N10O12S4	936.2963	NA	PeJP	NA	NA
+PJ088879	GCCDEHHH 	C35H48N14O13S2	936.2967	NA	PeJP	NA	NA
+PJ088880	PCCCYYW 	C43H52N8O10S3	936.2969	NA	PeJP	NA	NA
+PJ088881	DDDEEEW 	C38H48N8O20	936.2985	NA	PeJP	NA	NA
+PJ088882	CNDEMYY 	C39H52N8O15S2	936.2994	NA	PeJP	NA	NA
+PJ088883	SCCCNDHR 	C32H52N14O13S3	936.3001	NA	PeJP	NA	NA
+PJ088884	TCCMMYW 	C40H56N8O10S4	936.3003	NA	PeJP	NA	NA
+PJ088885	SPDDDEEM 	C35H52N8O20S	936.3019	NA	PeJP	NA	NA
+PJ088886	SSSCEMMY 	C36H56N8O15S3	936.3028	NA	PeJP	NA	NA
+PJ088887	GCNNNDDW 	C36H48N12O16S	936.3032	NA	PeJP	NA	NA
+PJ088888	GGGGGCNDDW 	C36H48N12O16S	936.3033	NA	PeJP	NA	NA
+PJ088889	CQMMMMY 	C37H60N8O10S5	936.3036	NA	PeJP	NA	NA
+PJ088890	GSCCNMHW 	C37H52N12O11S3	936.3041	NA	PeJP	NA	NA
+PJ088891	GSSNNNDDD 	C32H48N12O21	936.3057	NA	PeJP	NA	NA
+PJ088892	GGGGGSSNDDD 	C32H48N12O21	936.3058	NA	PeJP	NA	NA
+PJ088893	PCCNDDDR 	C33H52N12O16S2	936.3066	NA	PeJP	NA	NA
+PJ088894	CDDDHFW 	C41H48N10O14S	936.3073	NA	PeJP	NA	NA
+PJ088895	GCNNMMMH 	C34H56N12O11S4	936.3075	NA	PeJP	NA	NA
+PJ088896	GSNDDDEW 	C37H48N10O19	936.3098	NA	PeJP	NA	NA
+PJ088897	GPCNDDMW 	C38H52N10O14S2	936.3106	NA	PeJP	NA	NA
+PJ088898	PPCCCMHF 	C39H56N10O9S4	936.3115	NA	PeJP	NA	NA
+PJ088899	CCDHHHW 	C39H48N14O10S2	936.312	NA	PeJP	NA	NA
+PJ088900	GNNDEEEM 	C34H52N10O19S	936.3131	NA	PeJP	NA	NA
+PJ088901	GGGGGDEEEM 	C34H52N10O19S	936.3132	NA	PeJP	NA	NA
+PJ088902	GSSSCCCKY 	C35H56N10O14S3	936.314	NA	PeJP	NA	NA
+PJ088903	SSCDDHHH 	C35H48N14O15S	936.3145	NA	PeJP	NA	NA
+PJ088904	GCDMYYW 	C43H52N8O12S2	936.3146	NA	PeJP	NA	NA
+PJ088905	CCMMMRY 	C36H60N10O9S5	936.3149	NA	PeJP	NA	NA
+PJ088906	PTCCCHHH 	C36H52N14O10S3	936.3153	NA	PeJP	NA	NA
+PJ088907	GSSDDMYY 	C39H52N8O17S	936.3171	NA	PeJP	NA	NA
+PJ088908	PPCDDDEF 	C39H52N8O17S	936.3172	NA	PeJP	NA	NA
+PJ088909	CNNNNNNM 	C32H52N14O15S2	936.3178	NA	PeJP	NA	NA
+PJ088910	GGGGGGCNNNM 	C32H52N14O15S2	936.3179	NA	PeJP	NA	NA
+PJ088911	GPTCCMYY 	C40H56N8O12S3	936.318	NA	PeJP	NA	NA
+PJ088912	GCCCQMHR 	C33H56N14O10S4	936.3187	NA	PeJP	NA	NA
+PJ088913	GSEEEEEE 	C35H52N8O22	936.3197	NA	PeJP	NA	NA
+PJ088914	GPDEEEMM 	C36H56N8O17S2	936.3205	NA	PeJP	NA	NA
+PJ088915	SPDDDDHH 	C36H48N12O18	936.321	NA	PeJP	NA	NA
+PJ088916	GSSMMMMY 	C37H60N8O12S4	936.3214	NA	PeJP	NA	NA
+PJ088917	SSSCCQHW 	C37H52N12O13S2	936.3219	NA	PeJP	NA	NA
+PJ088918	SSSSSCNEH 	C33H52N12O18S	936.3243	NA	PeJP	NA	NA
+PJ088919	GNDDDDMR 	C33H52N12O18S	936.3244	NA	PeJP	NA	NA
+PJ088920	SNDDDWW 	C41H48N10O16	936.325	NA	PeJP	NA	NA
+PJ088921	GSPPCCCDR 	C34H56N12O13S3	936.3252	NA	PeJP	NA	NA
+PJ088922	GGGGGGPCNMM 	C34H56N12O13S3	936.3253	NA	PeJP	NA	NA
+PJ088923	PCCNEWW 	C42H52N10O11S2	936.3259	NA	PeJP	NA	NA
+HMDB03325	Bilirubin diglucuronide	C45H52N4O18	936.327637	NA	HMDB2010	NA	NA
+HMDB03325	Bilirubin diglucuronide	C45H52N4O18	936.32764	http://www.hmdb.ca/metabolites/HMDB03325	HMDB	NA	NA
+HMDB03325	Bilirubin diglucuronide	C45H52N4O18	936.32764	HMDB03325	PFEM_hmdb_metabocards_official	NA	NA
+MJ098155	Bilirubin beta-diglucuronide 	C45H52N4O18	936.32766	NA	MeJP	NA	NA
+MetaCyc04329	bilirubin-bisglucuronoside [bilirubin &beta;-diglucuronide;]	C45H52N4O18	936.327661	NA	metacyc	NA	NA
+C05787	Bilirubin beta-diglucuronide	C45H52N4O18	936.3277	NA	KEGG	NA	NA
+C05788	Urobilinogens	C45H52N4O18	936.3277	NA	KEGG	NA	NA
+PJ088924	NNDEEMW 	C38H52N10O16S	936.3284	NA	PeJP	NA	NA
+PJ088925	SDMMMHW 	C39H56N10O11S3	936.3292	NA	PeJP	NA	NA
+PJ088926	SPPCCNMW 	C39H56N10O11S3	936.3293	NA	PeJP	NA	NA
+PJ088927	GCCCCHRR 	C32H56N16O9S4	936.33	NA	PeJP	NA	NA
+PJ088928	SSNNEEEE 	C34H52N10O21	936.3309	NA	PeJP	NA	NA
+PJ088929	SSSEEMMH 	C35H56N10O16S2	936.3318	NA	PeJP	NA	NA
+PJ088930	GNNDDEHH 	C35H48N14O17	936.3322	NA	PeJP	NA	NA
+PJ088931	GGGGGDDEHH 	C35H48N14O17	936.3323	NA	PeJP	NA	NA
+PJ088932	SSCEYYW 	C43H52N8O14S	936.3324	NA	PeJP	NA	NA
+PJ088933	SCCCCKKY 	C36H60N10O11S4	936.3326	NA	PeJP	NA	NA
+PJ088934	GSCEMHHH 	C36H52N14O12S2	936.3331	NA	PeJP	NA	NA
+PJ088935	GCMMFYW 	C44H56N8O9S3	936.3333	NA	PeJP	NA	NA
+PJ088936	SEEEEEW 	C39H52N8O19	936.3349	NA	PeJP	NA	NA
+PJ088937	SCNNNDDR 	C32H52N14O17S	936.3356	NA	PeJP	NA	NA
+PJ088938	PDEEMMW 	C40H56N8O14S2	936.3358	NA	PeJP	NA	NA
+PJ088939	CYYYYY 	C48H52N6O12S	936.3364	NA	PeJP	NA	NA
+PJ088940	SSCCNMHR 	C33H56N14O12S3	936.3365	NA	PeJP	NA	NA
+PJ088941	CQMMMFF 	C41H60N8O9S4	936.3366	NA	PeJP	NA	NA
+PJ088942	GACMMMFF 	C41H60N8O9S4	936.3367	NA	PeJP	NA	NA
+PJ088943	CCNQHFW 	C41H52N12O10S2	936.3371	NA	PeJP	NA	NA
+PJ088944	AAEEEEEM 	C36H56N8O19S	936.3383	NA	PeJP	NA	NA
+PJ088945	SSSTMMMY 	C37H60N8O14S3	936.3391	NA	PeJP	NA	NA
+PJ088946	SPPDEMMM 	C37H60N8O14S3	936.3392	NA	PeJP	NA	NA
+PJ088947	CNDDERW 	C37H52N12O15S	936.3396	NA	PeJP	NA	NA
+PJ088948	GGGGGGGGPCDF 	C37H52N12O15S	936.3397	NA	PeJP	NA	NA
+PJ088949	CKMMMMY 	C38H64N8O9S5	936.34	NA	PeJP	NA	NA
+PJ088950	GTCCCKHW 	C38H56N12O10S3	936.3405	NA	PeJP	NA	NA
+PJ088951	GPCCWWW 	C46H52N10O8S2	936.3411	NA	PeJP	NA	NA
+PJ088952	SSNDDDER 	C33H52N12O20	936.3421	NA	PeJP	NA	NA
+PJ088953	SPCNDDMR 	C34H56N12O15S2	936.343	NA	PeJP	NA	NA
+PJ088954	GNDEMWW 	C42H52N10O13S	936.3436	NA	PeJP	NA	NA
+PJ088955	GGGDEMWW 	C42H52N10O13S	936.3437	NA	PeJP	NA	NA
+PJ088956	CEMMMHR 	C35H60N12O10S4	936.3439	NA	PeJP	NA	NA
+PJ088957	GSSNEEEW 	C38H52N10O18	936.3461	NA	PeJP	NA	NA
+PJ088958	GGGSSEEEW 	C38H52N10O18	936.3462	NA	PeJP	NA	NA
+PJ088959	GSPNDMMW 	C39H56N10O13S2	936.347	NA	PeJP	NA	NA
+PJ088960	NNDDHHW 	C39H48N14O14	936.3475	NA	PeJP	NA	NA
+PJ088961	GCDFFYW 	C47H52N8O11S	936.3477	NA	PeJP	NA	NA
+PJ088962	AMMMMHW 	C40H60N10O8S4	936.3479	NA	PeJP	NA	NA
+PJ088963	SCMHHHW 	C40H52N14O9S2	936.3484	NA	PeJP	NA	NA
+PJ088964	DEEEEMR 	C35H56N10O18S	936.3495	NA	PeJP	NA	NA
+PJ088965	ANDEYYY 	C43H52N8O16	936.3501	NA	PeJP	NA	NA
+PJ088966	PDDEEFW 	C43H52N8O16	936.3502	NA	PeJP	NA	NA
+PJ088967	GTTEMMMH 	C36H60N10O13S3	936.3504	NA	PeJP	NA	NA
+PJ088968	SSSDMHHH 	C36H52N14O14S	936.3509	NA	PeJP	NA	NA
+PJ088969	GSMMYYW 	C44H56N8O11S2	936.351	NA	PeJP	NA	NA
+PJ088970	NMMMHHH 	C37H56N14O9S3	936.3517	NA	PeJP	NA	NA
+PJ088971	SSSSNNNNN 	C32H52N14O19	936.3533	NA	PeJP	NA	NA
+PJ088972	GGGGSSSSNNN 	C32H52N14O19	936.3534	NA	PeJP	NA	NA
+PJ088973	VDEEEMW 	C40H56N8O16S	936.3535	NA	PeJP	NA	NA
+PJ088974	GSSSTCCHR 	C33H56N14O14S2	936.3542	NA	PeJP	NA	NA
+PJ088975	GGGGGGGCEMR 	C33H56N14O14S2	936.3543	NA	PeJP	NA	NA
+PJ088976	AQMMMYY 	C41H60N8O11S3	936.3544	NA	PeJP	NA	NA
+PJ088977	GCDDRWW 	C41H52N12O12S	936.3549	NA	PeJP	NA	NA
+PJ088978	PPCCCCRR 	C34H60N14O9S4	936.3551	NA	PeJP	NA	NA
+PJ088979	ATTEEEEE 	C36H56N8O21	936.356	NA	PeJP	NA	NA
+PJ088980	APTEEEMM 	C37H60N8O16S2	936.3569	NA	PeJP	NA	NA
+PJ088981	GSSDDDRW 	C37H52N12O17	936.3574	NA	PeJP	NA	NA
+PJ088982	APPEMMMM 	C38H64N8O11S4	936.3578	NA	PeJP	NA	NA
+PJ088983	ASPCCDRW 	C38H56N12O12S2	936.3582	NA	PeJP	NA	NA
+PJ088984	GSPCCERW 	C38H56N12O12S2	936.3583	NA	PeJP	NA	NA
+PJ088985	NDMWWW 	C46H52N10O10S	936.3589	NA	PeJP	NA	NA
+PJ088986	SVCNDDER 	C34H56N12O17S	936.3607	NA	PeJP	NA	NA
+PJ088987	GSNDEEMR 	C34H56N12O17S	936.3608	NA	PeJP	NA	NA
+PJ088988	SSNEEWW 	C42H52N10O15	936.3614	NA	PeJP	NA	NA
+PJ088989	GPCNEMMR 	C35H60N12O12S3	936.3616	NA	PeJP	NA	NA
+PJ088990	GNNNNMHH 	C35H52N16O13S	936.3621	NA	PeJP	NA	NA
+PJ088991	SPCQMWW 	C43H56N10O10S2	936.3623	NA	PeJP	NA	NA
+PJ088992	SQQEEMW 	C39H56N10O15S	936.3648	NA	PeJP	NA	NA
+PJ088993	NEYYYW 	C47H52N8O13	936.3654	NA	PeJP	NA	NA
+PJ088994	GCCNNDRR 	C32H56N16O13S2	936.3655	NA	PeJP	NA	NA
+PJ088995	TTMMMHW 	C40H60N10O10S3	936.3656	NA	PeJP	NA	NA
+PJ088996	GGGAPMMMW 	C40H60N10O10S3	936.3657	NA	PeJP	NA	NA
+PJ088997	GSPCNHHW 	C40H52N14O11S	936.3661	NA	PeJP	NA	NA
+PJ088998	GCMFFFW 	C48H56N8O8S2	936.3663	NA	PeJP	NA	NA
+PJ088999	SSNDKEEE 	C35H56N10O20	936.3673	NA	PeJP	NA	NA
+C06504	Cob(II)yrinate a,c diamide	C45H61CoN6O12	936.3679	NA	KEGG	NA	NA
+C06505	Cob(I)yrinate a,c diamide	C45H61CoN6O12	936.3679	NA	KEGG	NA	NA
+HMDB06904	Cob(I)yrinate a,c diamide	C45H61CoN6O12	936.36792	http://www.hmdb.ca/metabolites/HMDB06904	HMDB	NA	NA
+HMDB06904	Cob(I)yrinate a,c diamide	C45H61CoN6O12	936.36792	HMDB06904	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06904	Cob(I)yrinate a,c diamide	C45H61CoN6O12	936.36792	NA	HMDB2010	NA	NA
+MetaCyc04330	cob(I)yrinic acid a,c-diamide []	C45H61N6O12COBALT1	936.367947	NA	metacyc	NA	NA
+MetaCyc04331	cob(II)yrinic acid a,c-diamide []	C45H61N6O12COBALT1	936.367947	NA	metacyc	NA	NA
+PJ089000	STTTEMMH 	C36H60N10O15S2	936.3681	NA	PeJP	NA	NA
+PJ089001	GGGVQEEMM 	C36H60N10O15S2	936.3682	NA	PeJP	NA	NA
+PJ089002	GNNNNNQY 	C36H52N14O16	936.3686	NA	PeJP	NA	NA
+PJ089003	GGGGGGGGGGGGAY 	C36H52N14O16	936.3687	NA	PeJP	NA	NA
+PJ089004	SSTMYYW 	C44H56N8O13S	936.3688	NA	PeJP	NA	NA
+PJ089005	KEMMMMH 	C37H64N10O10S4	936.369	NA	PeJP	NA	NA
+PJ089006	CNNNMRW 	C37H56N14O11S2	936.3695	NA	PeJP	NA	NA
+PJ089007	SSSTTEYY 	C40H56N8O18	936.3713	NA	PeJP	NA	NA
+PJ089008	GSCDDERR 	C33H56N14O16S	936.372	NA	PeJP	NA	NA
+PJ089009	TTQMMYY 	C41H60N8O13S2	936.3721	NA	PeJP	NA	NA
+PJ089010	SDKMMYY 	C41H60N8O13S2	936.3722	NA	PeJP	NA	NA
+PJ089011	GSSSNNWW 	C41H52N12O14	936.3726	NA	PeJP	NA	NA
+PJ089012	GGGGGGNEFW 	C41H52N12O14	936.3727	NA	PeJP	NA	NA
+PJ089013	GPCCDMRR 	C34H60N14O11S3	936.3729	NA	PeJP	NA	NA
+PJ089014	CKMMMFF 	C42H64N8O8S4	936.373	NA	PeJP	NA	NA
+PJ089015	SPCCRWW 	C42H56N12O9S2	936.3735	NA	PeJP	NA	NA
+PJ089016	ACWWWW 	C50H52N10O7S	936.3742	NA	PeJP	NA	NA
+PJ089017	GTLEEEEM 	C37H60N8O18S	936.3747	NA	PeJP	NA	NA
+PJ089018	GPLEEMMM 	C38H64N8O13S3	936.3755	NA	PeJP	NA	NA
+PJ089019	SNDEMRW 	C38H56N12O14S	936.376	NA	PeJP	NA	NA
+PJ089020	GSSEWWW 	C46H52N10O12	936.3767	NA	PeJP	NA	NA
+PJ089021	PCNMMRW 	C39H60N12O9S3	936.3769	NA	PeJP	NA	NA
+PJ089022	MMHFWW 	C47H56N10O7S2	936.3775	NA	PeJP	NA	NA
+PJ089023	SSSNEEER 	C34H56N12O19	936.3785	NA	PeJP	NA	NA
+PJ089024	NQEEMMR 	C35H60N12O14S2	936.3794	NA	PeJP	NA	NA
+PJ089025	SSNNNQHH 	C35H52N16O15	936.3798	NA	PeJP	NA	NA
+PJ089026	GSNDDHHR 	C35H52N16O15	936.3799	NA	PeJP	NA	NA
+PJ089027	GTQEMWW 	C43H56N10O12S	936.38	NA	PeJP	NA	NA
+PJ089028	TMMMMHR 	C36H64N12O9S4	936.3802	NA	PeJP	NA	NA
+PJ089029	PPCCCKMR 	C36H64N12O9S4	936.3803	NA	PeJP	NA	NA
+PJ089030	GYYYWW 	C51H52N8O10	936.3807	NA	PeJP	NA	NA
+PJ089031	ACHHHFW 	C44H52N14O8S	936.3814	NA	PeJP	NA	NA
+PJ089032	GSSDKEEW 	C39H56N10O17	936.3825	NA	PeJP	NA	NA
+PJ089033	GGGGGVEEEF 	C39H56N10O17	936.3826	NA	PeJP	NA	NA
+PJ089034	VNQEMMW 	C40H60N10O12S2	936.3834	NA	PeJP	NA	NA
+PJ089035	SNQEHHW 	C40H52N14O13	936.3839	NA	PeJP	NA	NA
+PJ089036	QMFYYW 	C48H56N8O10S	936.384	NA	PeJP	NA	NA
+PJ089037	GGPCFFFY 	C48H56N8O10S	936.3841	NA	PeJP	NA	NA
+PJ089038	GSQKEEEM 	C36H60N10O17S	936.3859	NA	PeJP	NA	NA
+PJ089039	GDKEYYY 	C44H56N8O15	936.3865	NA	PeJP	NA	NA
+PJ089040	PVDEEYW 	C44H56N8O15	936.3866	NA	PeJP	NA	NA
+PJ089041	SSTLMMMH 	C37H64N10O12S3	936.3868	NA	PeJP	NA	NA
+PJ089042	SCDDRRW 	C37H56N14O13S	936.3872	NA	PeJP	NA	NA
+PJ089043	GGGGGSTCRW 	C37H56N14O13S	936.3873	NA	PeJP	NA	NA
+PJ089044	PPEMMFW 	C45H60N8O10S2	936.3874	NA	PeJP	NA	NA
+PJ089045	GNNNFWW 	C45H52N12O11	936.3879	NA	PeJP	NA	NA
+PJ089046	SSSDDDRR 	C33H56N14O18	936.3897	NA	PeJP	NA	NA
+PJ089047	GGGGGSSSSER 	C33H56N14O18	936.3898	NA	PeJP	NA	NA
+PJ089048	TLEEEMW 	C41H60N8O15S	936.3899	NA	PeJP	NA	NA
+PJ089049	NDDMMRR 	C34H60N14O13S2	936.3906	NA	PeJP	NA	NA
+PJ089050	PLEMMMW 	C42H64N8O10S3	936.3908	NA	PeJP	NA	NA
+PJ089051	SCNNKWW 	C42H56N12O11S	936.3912	NA	PeJP	NA	NA
+PJ089052	GSDMRWW 	C42H56N12O11S	936.3913	NA	PeJP	NA	NA
+PJ089053	SSWWWW 	C50H52N10O9	936.3919	NA	PeJP	NA	NA
+PJ089054	STTLEEEE 	C37H60N8O20	936.3924	NA	PeJP	NA	NA
+PJ089055	GVLEEEMM 	C38H64N8O15S2	936.3933	NA	PeJP	NA	NA
+PJ089056	SSSSQQQW 	C38H56N12O16	936.3937	NA	PeJP	NA	NA
+PJ089057	GSSSEERW 	C38H56N12O16	936.3938	NA	PeJP	NA	NA
+PJ089058	SPPLMMMM 	C39H68N8O10S4	936.3942	NA	PeJP	NA	NA
+PJ089059	GQEMMRW 	C39H60N12O11S2	936.3946	NA	PeJP	NA	NA
+PJ089060	GGGGGGKMMW 	C39H60N12O11S2	936.3947	NA	PeJP	NA	NA
+PJ089061	GSPEHHHH 	C39H52N16O12	936.3951	NA	PeJP	NA	NA
+PJ089062	TQMWWW 	C47H56N10O9S	936.3953	NA	PeJP	NA	NA
+PJ089063	GSTQEEMR 	C35H60N12O16S	936.3971	NA	PeJP	NA	NA
+PJ089064	GGGGGGSTKEM 	C35H60N12O16S	936.3972	NA	PeJP	NA	NA
+PJ089065	SSDKEWW 	C43H56N10O14	936.3978	NA	PeJP	NA	NA
+PJ089066	GSPQMMMR 	C36H64N12O11S3	936.398	NA	PeJP	NA	NA
+PJ089067	NNEMHHR 	C36H56N16O12S	936.3985	NA	PeJP	NA	NA
+PJ089068	SPCKMWW 	C44H60N10O9S2	936.3986	NA	PeJP	NA	NA
+PJ089069	GVQMMWW 	C44H60N10O9S2	936.3987	NA	PeJP	NA	NA
+MJ098156	Azecin 3 	C46H64O20	936.399094	NA	MeJP	NA	NA
+PJ089070	GSQHHWW 	C44H52N14O10	936.3991	NA	PeJP	NA	NA
+PJ089071	SSPTTQMW 	C40H60N10O14S	936.4011	NA	PeJP	NA	NA
+PJ089072	SQKEEMW 	C40H60N10O14S	936.4012	NA	PeJP	NA	NA
+PJ089073	DKYYYW 	C48H56N8O12	936.4018	NA	PeJP	NA	NA
+PJ089074	CCDERRR 	C33H60N16O12S2	936.4019	NA	PeJP	NA	NA
+PJ089075	PNKMMMW 	C41H64N10O9S3	936.402	NA	PeJP	NA	NA
+PJ089076	AQQMHHW 	C41H56N14O10S	936.4025	NA	PeJP	NA	NA
+PJ089077	TTTTQQEE 	C36H60N10O19	936.4036	NA	PeJP	NA	NA
+PJ089078	SSTQKEEE 	C36H60N10O19	936.4037	NA	PeJP	NA	NA
+PJ089079	LEEEMMR 	C37H64N10O14S2	936.4045	NA	PeJP	NA	NA
+PJ089080	SSSSNNRW 	C37H56N14O15	936.405	NA	PeJP	NA	NA
+PJ089081	PVEEMFW 	C45H60N8O12S	936.4052	NA	PeJP	NA	NA
+PJ089082	PPCCKKMM 	C38H68N10O9S4	936.4054	NA	PeJP	NA	NA
+PJ089083	GCEMRRW 	C38H60N14O10S2	936.4059	NA	PeJP	NA	NA
+PJ089084	NQQHHHH 	C38H52N18O11	936.4063	NA	PeJP	NA	NA
+PJ089085	GGGAQHHHH 	C38H52N18O11	936.4064	NA	PeJP	NA	NA
+PJ089086	TCRWWW 	C46H56N12O8S	936.4065	NA	PeJP	NA	NA
+PJ089087	STTTTTYY 	C41H60N8O17	936.4077	NA	PeJP	NA	NA
+PJ089088	GSSDEMRR 	C34H60N14O15S	936.4084	NA	PeJP	NA	NA
+PJ089089	VLEEMMW 	C42H64N8O12S2	936.4085	NA	PeJP	NA	NA
+PJ089090	GPPLEMMY 	C42H64N8O12S2	936.4086	NA	PeJP	NA	NA
+PJ089091	SSSERWW 	C42H56N12O13	936.409	NA	PeJP	NA	NA
+PJ089092	GGGGGGGGAPFF 	C42H56N12O13	936.4091	NA	PeJP	NA	NA
+PJ089093	GSPCMMRR 	C35H64N14O10S3	936.4092	NA	PeJP	NA	NA
+PJ089094	CNDHHRR 	C35H56N18O11S	936.4097	NA	PeJP	NA	NA
+PJ089095	QMMRWW 	C43H60N12O8S2	936.4099	NA	PeJP	NA	NA
+PJ089096	SPHHHHW 	C43H52N16O9	936.4104	NA	PeJP	NA	NA
+PJ089097	SSLLEEEM 	C38H64N8O17S	936.4111	NA	PeJP	NA	NA
+PJ089098	SPVLEMMM 	C39H68N8O12S3	936.4119	NA	PeJP	NA	NA
+PJ089099	STQEMRW 	C39H60N12O13S	936.4124	NA	PeJP	NA	NA
+PJ089100	GTTTWWW 	C47H56N10O11	936.413	NA	PeJP	NA	NA
+PJ089101	GGGVEFWW 	C47H56N10O11	936.4131	NA	PeJP	NA	NA
+PJ089102	CLMMHFR 	C40H64N12O8S3	936.4133	NA	PeJP	NA	NA
+PJ089103	GNMHHRW 	C40H56N16O9S	936.4137	NA	PeJP	NA	NA
+PJ089104	SSSDKEER 	C35H60N12O18	936.4149	NA	PeJP	NA	NA
+PJ089105	SSPTQMMR 	C36H64N12O13S2	936.4157	NA	PeJP	NA	NA
+PJ089106	NKEEMMR 	C36H64N12O13S2	936.4158	NA	PeJP	NA	NA
+PJ089107	GSSQEHHR 	C36H56N16O14	936.4162	NA	PeJP	NA	NA
+PJ089108	GGGGGPNEHR 	C36H56N16O14	936.4163	NA	PeJP	NA	NA
+MJ098157	Keramamide H; 2'-Debromo, 5'-deoxy, N1'-Me 	C44H60N10O11S	936.416373	NA	MeJP	NA	NA
+PJ089109	GTKEMWW 	C44H60N10O11S	936.4164	NA	PeJP	NA	NA
+PJ089110	QFFFYW 	C52H56N8O9	936.4171	NA	PeJP	NA	NA
+PJ089111	GSTTKEEW 	C40H60N10O16	936.4189	NA	PeJP	NA	NA
+PJ089112	SSSCNQRR 	C33H60N16O14S	936.4196	NA	PeJP	NA	NA
+PJ089113	VNKEMMW 	C41H64N10O11S2	936.4198	NA	PeJP	NA	NA
+PJ089114	GNNQRYW 	C41H56N14O12	936.4202	NA	PeJP	NA	NA
+PJ089115	GGGNQRYW 	C41H56N14O12	936.4203	NA	PeJP	NA	NA
+PJ089116	KMFYYW 	C49H60N8O9S	936.4204	NA	PeJP	NA	NA
+PJ089117	CMRRWW 	C42H60N14O7S2	936.4211	NA	PeJP	NA	NA
+PJ089118	GSKKEEEM 	C37H64N10O16S	936.4223	NA	PeJP	NA	NA
+PJ089119	PTLEEYW 	C45H60N8O14	936.4229	NA	PeJP	NA	NA
+PJ089120	APTQKMMM 	C38H68N10O11S3	936.4231	NA	PeJP	NA	NA
+PJ089121	GPDKKMMM 	C38H68N10O11S3	936.4232	NA	PeJP	NA	NA
+PJ089122	SSDMRRW 	C38H60N14O12S	936.4236	NA	PeJP	NA	NA
+PJ089123	GGGGGGAAMFR 	C38H60N14O12S	936.4237	NA	PeJP	NA	NA
+PJ089124	PPLMMYW 	C46H64N8O9S2	936.4238	NA	PeJP	NA	NA
+PJ089125	NEFRWW 	C46H56N12O10	936.4243	NA	PeJP	NA	NA
+PJ089126	SSSSEERR 	C34H60N14O17	936.4261	NA	PeJP	NA	NA
+PJ089127	GPVLEEMY 	C42H64N8O14S	936.4263	NA	PeJP	NA	NA
+PJ089128	SQEMMRR 	C35H64N14O12S2	936.427	NA	PeJP	NA	NA
+PJ089129	APPLMMMF 	C43H68N8O9S3	936.4272	NA	PeJP	NA	NA
+PJ089130	GTTMRWW 	C43H60N12O10S	936.4276	NA	PeJP	NA	NA
+PJ089131	GGAPMRYW 	C43H60N12O10S	936.4277	NA	PeJP	NA	NA
+PJ089132	VNFWWW 	C51H56N10O8	936.4283	NA	PeJP	NA	NA
+PJ089133	ATLLEEMM 	C39H68N8O14S2	936.4297	NA	PeJP	NA	NA
+PJ089134	GSTTTERW 	C39H60N12O15	936.4301	NA	PeJP	NA	NA
+PJ089135	GGGGSSTTKW 	C39H60N12O15	936.4302	NA	PeJP	NA	NA
+PJ089136	APLLMMMM 	C40H72N8O9S4	936.4306	NA	PeJP	NA	NA
+PJ089137	GKEMMRW 	C40H64N12O10S2	936.431	NA	PeJP	NA	NA
+PJ089138	SSQHHRW 	C40H56N16O11	936.4315	NA	PeJP	NA	NA
+PJ089139	TKMWWW 	C48H60N10O8S	936.4317	NA	PeJP	NA	NA
+PJ089140	GSTKEEMR 	C36H64N12O15S	936.4335	NA	PeJP	NA	NA
+PJ089141	STTKEWW 	C44H60N10O13	936.4342	NA	PeJP	NA	NA
+PJ089142	GSPKMMMR 	C37H68N12O10S3	936.4344	NA	PeJP	NA	NA
+PJ089143	CNNQFRR 	C37H60N16O11S	936.4349	NA	PeJP	NA	NA
+PJ089144	GVKMMWW 	C45H64N10O8S2	936.435	NA	PeJP	NA	NA
+PJ089145	GSKHHWW 	C45H56N14O9	936.4355	NA	PeJP	NA	NA
+PJ089146	GSSSSSNRR 	C33H60N16O16	936.4374	NA	PeJP	NA	NA
+PJ089147	SKKEEMW 	C41H64N10O13S	936.4375	NA	PeJP	NA	NA
+PJ089148	GGGPLDKMY 	C41H64N10O13S	936.4376	NA	PeJP	NA	NA
+PJ089149	PPVEFYW 	C49H60N8O11	936.4382	NA	PeJP	NA	NA
+PJ089150	LKMMMHF 	C42H68N10O8S3	936.4384	NA	PeJP	NA	NA
+MJ098158	3,6,20-Trihydroxycholest-9(11)-en-23-one, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-D-xylopyranosyl-(1?3)-6-deoxy-?-D-glucopyranoside], 3-O-sulfate 	C44H72O19S	936.43885	NA	MeJP	NA	NA
+PJ089151	GPCRRYW 	C42H60N14O9S	936.4389	NA	PeJP	NA	NA
+PJ089152	GFRWWW 	C50H56N12O7	936.4395	NA	PeJP	NA	NA
+PJ089153	SSTKKEEE 	C37H64N10O18	936.44	NA	PeJP	NA	NA
+2874	opioid fragment of dermorphin	YIFHLMN	936.4403	antibacterial	Inhouse_peptide	NA	peptide
+PJ089154	AAKKEEMM 	C38H68N10O13S2	936.4409	NA	PeJP	NA	NA
+PJ089155	GQEERRY 	C38H60N14O14	936.4414	NA	PeJP	NA	NA
+PJ089156	AVKMYYY 	C46H64N8O11S	936.4415	NA	PeJP	NA	NA
+PJ089157	PVLEMYW 	C46H64N8O11S	936.4416	NA	PeJP	NA	NA
+PJ089158	SVCMRRW 	C39H64N14O9S2	936.4422	NA	PeJP	NA	NA
+PJ089159	GTMMRRW 	C39H64N14O9S2	936.4423	NA	PeJP	NA	NA
+PJ089160	VDHHHHR 	C39H56N18O10	936.4427	NA	PeJP	NA	NA
+PJ089161	AALLEEEY 	C42H64N8O16	936.4441	NA	PeJP	NA	NA
+PJ089162	SSSCLERR 	C35H64N14O14S	936.4447	NA	PeJP	NA	NA
+PJ089163	GSTTEMRR 	C35H64N14O14S	936.4448	NA	PeJP	NA	NA
+PJ089164	SPPVLMMY 	C43H68N8O11S2	936.4449	NA	PeJP	NA	NA
+PJ089165	STTTRWW 	C43H60N12O12	936.4454	NA	PeJP	NA	NA
+PJ089166	VNMMMRR 	C36H68N14O9S3	936.4456	NA	PeJP	NA	NA
+PJ089167	SNMHHRR 	C36H60N18O10S	936.4461	NA	PeJP	NA	NA
+PJ089168	KMMRWW 	C44H64N12O7S2	936.4463	NA	PeJP	NA	NA
+PJ089169	ALHHHHW 	C44H56N16O8	936.4468	NA	PeJP	NA	NA
+PJ089170	TTTLLEEM 	C39H68N8O16S	936.4474	NA	PeJP	NA	NA
+PJ089171	GLLLEMMM 	C40H72N8O11S3	936.4483	NA	PeJP	NA	NA
+PJ089172	STKEMRW 	C40H64N12O12S	936.4488	NA	PeJP	NA	NA
+PJ089173	GPTKYWW 	C48H60N10O10	936.4494	NA	PeJP	NA	NA
+PJ089174	ACKHHRW 	C41H60N16O8S	936.4501	NA	PeJP	NA	NA
+PJ089175	SSTTKEER 	C36H64N12O17	936.4513	NA	PeJP	NA	NA
+PJ089176	DKKEMMR 	C37H68N12O12S2	936.4521	NA	PeJP	NA	NA
+PJ089177	AATKEMMR 	C37H68N12O12S2	936.4522	NA	PeJP	NA	NA
+PJ089178	GDDRRRY 	C37H60N16O13	936.4526	NA	PeJP	NA	NA
+MJ098159	Deltorphin; 2-L-Isoleucine analogue 	C45H64N10O10S	936.452759	NA	MeJP	NA	NA
+PJ089179	SSLKMWW 	C45H64N10O10S	936.4528	NA	PeJP	NA	NA
+PJ089180	KFFFYW 	C53H60N8O8	936.4534	NA	PeJP	NA	NA
+PJ089181	PPPFFFW 	C53H60N8O8	936.4535	NA	PeJP	NA	NA
+PJ089182	SSSTLKEW 	C41H64N10O15	936.4553	NA	PeJP	NA	NA
+PJ089183	SSSCNKRR 	C34H64N16O13S	936.456	NA	PeJP	NA	NA
+PJ089184	VDKKMMW 	C42H68N10O10S2	936.4562	NA	PeJP	NA	NA
+PJ089185	QERRYW 	C42H60N14O11	936.4566	NA	PeJP	NA	NA
+PJ089186	GGGGGKRYW 	C42H60N14O11	936.4567	NA	PeJP	NA	NA
+PJ089187	PPLMFFW 	C50H64N8O8S	936.4568	NA	PeJP	NA	NA
+PJ089188	GMMMRRR 	C35H68N16O8S3	936.4569	NA	PeJP	NA	NA
+PJ089189	ATTKKEEM 	C38H68N10O15S	936.4587	NA	PeJP	NA	NA
+PJ089190	VVLEEYW 	C46H64N8O13	936.4593	NA	PeJP	NA	NA
+PJ089191	APTKKMMM 	C39H72N10O10S3	936.4595	NA	PeJP	NA	NA
+PJ089192	GGGLLKMMM 	C39H72N10O10S3	936.4596	NA	PeJP	NA	NA
+PJ089193	STTMRRW 	C39H64N14O11S	936.46	NA	PeJP	NA	NA
+PJ089194	PLLMMFW 	C47H68N8O8S2	936.4602	NA	PeJP	NA	NA
+PJ089195	VQRYWW 	C47H60N12O9	936.4607	NA	PeJP	NA	NA
+PJ089196	SSTTTERR 	C35H64N14O16	936.4625	NA	PeJP	NA	NA
+PJ089197	APTLLEMY 	C43H68N8O13S	936.4627	NA	PeJP	NA	NA
+PJ089198	SKEMMRR 	C36H68N14O11S2	936.4634	NA	PeJP	NA	NA
+PJ089199	LLLMMMW 	C44H72N8O8S3	936.4636	NA	PeJP	NA	NA
+PJ089200	GSSTHHRR 	C36H60N18O12	936.4639	NA	PeJP	NA	NA
+PJ089201	GPKMRYW 	C44H64N12O9S	936.464	NA	PeJP	NA	NA
+PJ089202	STLLLEMM 	C40H72N8O13S2	936.4661	NA	PeJP	NA	NA
+PJ089203	SSSTTLRW 	C40H64N12O14	936.4665	NA	PeJP	NA	NA
+PJ089204	GGGGAAKKEY 	C40H64N12O14	936.4666	NA	PeJP	NA	NA
+PJ089205	SVKMMRW 	C41H68N12O9S2	936.4674	NA	PeJP	NA	NA
+PJ089206	GPEHRRW 	C41H60N16O10	936.4679	NA	PeJP	NA	NA
+PJ089207	SSSLKEMR 	C37H68N12O14S	936.4699	NA	PeJP	NA	NA
+PJ089208	SPKKEYW 	C45H64N10O12	936.4705	NA	PeJP	NA	NA
+PJ089209	VVNKEYW 	C45H64N10O12	936.4706	NA	PeJP	NA	NA
+PJ089210	LQKMMMR 	C38H72N12O9S3	936.4708	NA	PeJP	NA	NA
+PJ089211	SPCRRRY 	C38H64N16O10S	936.4712	NA	PeJP	NA	NA
+PJ089212	GDMFRRR 	C38H64N16O10S	936.4713	NA	PeJP	NA	NA
+MJ098160	3,21-Dioxo-9(11),12-oleanadien-28-oic acid; 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H72O18	936.471865	NA	MeJP	NA	NA
+MJ098161	Atratogenin A; 2-Ketone, 3-O-?-D-glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside 	C48H72O18	936.471865	NA	MeJP	NA	NA
+MJ098162	Eupteleogenin; 3-O-[?-L-Rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranosyl-(1?3)-?-D-xylopyranoside] 	C48H72O18	936.471865	NA	MeJP	NA	NA
+MJ098163	Eupteleogenin; Glycoside 	C48H72O18	936.471865	NA	MeJP	NA	NA
+PJ089213	ARRYWW 	C46H60N14O8	936.4719	NA	PeJP	NA	NA
+PJ089214	GTTTLKMW 	C42H68N10O12S	936.4739	NA	PeJP	NA	NA
+PJ089215	PPVLYYW 	C50H64N8O10	936.4746	NA	PeJP	NA	NA
+PJ089216	AAMFRRW 	C43H64N14O8S	936.4753	NA	PeJP	NA	NA
+PJ089217	TTTTKKEE 	C38H68N10O17	936.4764	NA	PeJP	NA	NA
+PJ089218	GTLKKEMM 	C39H72N10O12S2	936.4773	NA	PeJP	NA	NA
+PJ089219	SQQQKRY 	C39H64N14O13	936.4777	NA	PeJP	NA	NA
+PJ089220	GKEERRY 	C39H64N14O13	936.4778	NA	PeJP	NA	NA
+PJ089221	VLLEMFW 	C47H68N8O10S	936.478	NA	PeJP	NA	NA
+PJ089222	PCKMFRR 	C40H68N14O8S2	936.4786	NA	PeJP	NA	NA
+PJ089223	GQHHFRR 	C40H60N18O9	936.4791	NA	PeJP	NA	NA
+PJ089224	SVVVLEEY 	C43H68N8O15	936.4804	NA	PeJP	NA	NA
+PJ089225	GTLLLEEY 	C43H68N8O15	936.4805	NA	PeJP	NA	NA
+PJ089226	SSSTLMRR 	C36H68N14O13S	936.4811	NA	PeJP	NA	NA
+PJ089227	GPLLLMMY 	C44H72N8O10S2	936.4813	NA	PeJP	NA	NA
+PJ089228	GVKERYW 	C44H64N12O11	936.4818	NA	PeJP	NA	NA
+PJ089229	CLKMMRR 	C37H72N14O8S3	936.482	NA	PeJP	NA	NA
+PJ089230	TCKHHRR 	C37H64N18O9S	936.4825	NA	PeJP	NA	NA
+PJ089231	PHRRWW 	C45H60N16O7	936.4831	NA	PeJP	NA	NA
+PJ089232	SVLLLMMM 	C41H76N8O10S3	936.4847	NA	PeJP	NA	NA
+PJ089233	GSTCKKKW 	C41H68N12O11S	936.4852	NA	PeJP	NA	NA
+PJ089234	AALKYWW 	C49H64N10O9	936.4858	NA	PeJP	NA	NA
+MJ098164	Brevetoxin B; 37-Ac 	C52H72O15	936.487121	NA	MeJP	NA	NA
+PJ089235	ASSTTTTLR 	C37H68N12O16	936.4876	NA	PeJP	NA	NA
+PJ089236	TTTTTKER 	C37H68N12O16	936.4877	NA	PeJP	NA	NA
+PJ089237	GTTLKMMR 	C38H72N12O11S2	936.4885	NA	PeJP	NA	NA
+PJ089238	GTERRRY 	C38H64N16O12	936.489	NA	PeJP	NA	NA
+PJ089239	PCLKKYW 	C46H68N10O9S	936.4892	NA	PeJP	NA	NA
+PJ089240	STTTTLKW 	C42H68N10O14	936.4917	NA	PeJP	NA	NA
+PJ089241	TLKKMMW 	C43H72N10O9S2	936.4926	NA	PeJP	NA	NA
+MJ098165	Furostane-2,3,22,26-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H76O20	936.492994	NA	MeJP	NA	NA
+MJ098166	Furostane-2,3,22,26-tetrol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H76O20	936.492994	NA	MeJP	NA	NA
+MJ098167	Perdeacylorizabin; 2A-Tigloyl 	C45H76O20	936.492994	NA	MeJP	NA	NA
+PJ089242	KERRYW 	C43H64N14O10	936.493	NA	PeJP	NA	NA
+PJ089243	SSSVVVTKM 	C39H72N10O14S	936.495	NA	PeJP	NA	NA
+PJ089244	STTLKKEM 	C39H72N10O14S	936.4951	NA	PeJP	NA	NA
+PJ089245	TLLLEYW 	C47H68N8O12	936.4957	NA	PeJP	NA	NA
+PJ089246	GVLKKMMM 	C40H76N10O9S3	936.4959	NA	PeJP	NA	NA
+PJ089247	SPKMRRY 	C40H68N14O10S	936.4964	NA	PeJP	NA	NA
+PJ089248	VKRYWW 	C48H64N12O8	936.497	NA	PeJP	NA	NA
+PJ089249	PPPVRWW 	C48H64N12O8	936.4971	NA	PeJP	NA	NA
+PJ089250	TTTTTTRR 	C36H68N14O15	936.4989	NA	PeJP	NA	NA
+PJ089251	GVLLLEMY 	C44H72N8O12S	936.4991	NA	PeJP	NA	NA
+PJ089252	GSCKKKMR 	C37H72N14O10S2	936.4998	NA	PeJP	NA	NA
+PJ089253	SPEHRRR 	C37H64N18O11	936.5002	NA	PeJP	NA	NA
+PJ089254	GGGGLQHRR 	C37H64N18O11	936.5003	NA	PeJP	NA	NA
+PJ089255	GLKMFRW 	C45H68N12O8S	936.5004	NA	PeJP	NA	NA
+PJ089256	SSSSKKKW 	C41H68N12O13	936.5029	NA	PeJP	NA	NA
+PJ089257	GGGGGGGPPVLL 	C41H68N12O13	936.503	NA	PeJP	NA	NA
+PJ089258	PKKMMFR 	C42H72N12O8S2	936.5038	NA	PeJP	NA	NA
+PJ089259	TRRRYW 	C42H64N16O9	936.5043	NA	PeJP	NA	NA
+PJ089260	STTTLKMR 	C38H72N12O13S	936.5063	NA	PeJP	NA	NA
+PJ089261	ALKKEYW 	C46H68N10O11	936.5069	NA	PeJP	NA	NA
+PJ089262	PPPVVDKW 	C46H68N10O11	936.507	NA	PeJP	NA	NA
+PJ089263	LKKMMMR 	C39H76N12O8S3	936.5072	NA	PeJP	NA	NA
+PJ089264	GVMRRRY 	C39H68N16O9S	936.5076	NA	PeJP	NA	NA
+PJ089265	LLLEMRY 	C43H72N10O11S	936.5103	NA	PeJP	NA	NA
+PJ089266	PVLLFYW 	C51H68N8O9	936.511	NA	PeJP	NA	NA
+PJ089267	GQQHRRR 	C36H64N20O10	936.5115	NA	PeJP	NA	NA
+PJ089268	SSSTTTLLK 	C39H72N10O16	936.5128	NA	PeJP	NA	NA
+PJ089269	SSLLKKMM 	C40H76N10O11S2	936.5137	NA	PeJP	NA	NA
+PJ089270	SVKERRY 	C40H68N14O12	936.5141	NA	PeJP	NA	NA
+PJ089271	VTDKRRY 	C40H68N14O12	936.5142	NA	PeJP	NA	NA
+PJ089272	VLLLMYW 	C48H72N8O9S	936.5143	NA	PeJP	NA	NA
+PJ089273	GKHHFRR 	C41H64N18O8	936.5155	NA	PeJP	NA	NA
+PJ089274	SSLLLLEY 	C44H72N8O14	936.5168	NA	PeJP	NA	NA
+PJ089275	SSTCKKKR 	C37H72N14O12S	936.5175	NA	PeJP	NA	NA
+PJ089276	GLLLLMMF 	C45H76N8O9S2	936.5177	NA	PeJP	NA	NA
+PJ089277	ATLKRYW 	C45H68N12O10	936.5182	NA	PeJP	NA	NA
+PJ089278	MRRRRY 	C38H68N18O8S	936.5189	NA	PeJP	NA	NA
+PJ089279	VLQKMRY 	C42H72N12O10S	936.5215	NA	PeJP	NA	NA
+PJ089280	GGLLKMRY 	C42H72N12O10S	936.5216	NA	PeJP	NA	NA
+PJ089281	VLKHFFF 	C50H68N10O8	936.5222	NA	PeJP	NA	NA
+PJ089282	GSSTTTKKK 	C38H72N12O15	936.524	NA	PeJP	NA	NA
+PJ089283	GSKKKKMM 	C39H76N12O10S2	936.5249	NA	PeJP	NA	NA
+PJ089284	SSLRRRY 	C39H68N16O11	936.5254	NA	PeJP	NA	NA
+PJ089285	VVKKMFW 	C47H72N10O8S	936.5256	NA	PeJP	NA	NA
+PJ089286	LKKKEEY 	C43H72N10O13	936.5281	NA	PeJP	NA	NA
+MJ098168	Stigmastane-3,4,6,8,15,16,29-heptol, 29-O-[3-O-Methyl-?-D-xylopyranosyl-(1?4)-3-O-methyl-?-D-xylopyranosyl-(1?4)-?-D-xylopyranoside] 	C46H80O19	936.52938	NA	MeJP	NA	NA
+PJ089287	PTLKHRW 	C44H68N14O9	936.5294	NA	PeJP	NA	NA
+PJ089288	GPVLLLYY 	C48H72N8O11	936.5321	NA	PeJP	NA	NA
+PJ089289	ALKMRRY 	C41H72N14O9S	936.5328	NA	PeJP	NA	NA
+PJ089290	ATLLLLMY 	C45H76N8O11S	936.5355	NA	PeJP	NA	NA
+PJ089291	ALEHRRR 	C38H68N18O10	936.5366	NA	PeJP	NA	NA
+PJ089292	TLKKERY 	C42H72N12O12	936.5393	NA	PeJP	NA	NA
+PJ089293	GLLHRRW 	C43H68N16O8	936.5407	NA	PeJP	NA	NA
+PJ089294	SSTKKKKM 	C39H76N12O12S	936.5427	NA	PeJP	NA	NA
+PJ089295	SLLKKYW 	C47H72N10O10	936.5433	NA	PeJP	NA	NA
+PJ089296	PLKMHRR 	C40H72N16O8S	936.544	NA	PeJP	NA	NA
+PJ089297	AALLKKMY 	C44H76N10O10S	936.5467	NA	PeJP	NA	NA
+PJ089298	VLLLFFW 	C52H72N8O8	936.5473	NA	PeJP	NA	NA
+PJ089299	GQKHRRR 	C37H68N20O9	936.5479	NA	PeJP	NA	NA
+PJ089300	TTLKRRY 	C41H72N14O11	936.5505	NA	PeJP	NA	NA
+PJ089301	GPPLLERR 	C41H72N14O11	936.5506	NA	PeJP	NA	NA
+PJ089302	FFRRRR 	C42H68N18O7	936.5519	NA	PeJP	NA	NA
+PJ089303	TTTLLLLY 	C45H76N8O13	936.5532	NA	PeJP	NA	NA
+PJ089304	GKKKKYW 	C46H72N12O9	936.5546	NA	PeJP	NA	NA
+PJ089305	VLKKMRY 	C43H76N12O9S	936.5579	NA	PeJP	NA	NA
+PJ089306	VLKEHRR 	C40H72N16O10	936.5618	NA	PeJP	NA	NA
+PJ089307	ATTILKKY 	C44H76N10O12	936.5644	NA	PeJP	NA	NA
+PJ089308	ATTLLKKY 	C44H76N10O12	936.5645	NA	PeJP	NA	NA
+PJ089309	PPLLRRW 	C45H72N14O8	936.5658	NA	PeJP	NA	NA
+PJ089310	GVLLLLFY 	C49H76N8O10	936.5685	NA	PeJP	NA	NA
+PJ089311	CKKKKFR 	C42H76N14O8S	936.5692	NA	PeJP	NA	NA
+PJ089312	SLLHRRR 	C39H72N18O9	936.573	NA	PeJP	NA	NA
+PJ089313	DKKKKKY 	C43H76N12O11	936.5757	NA	PeJP	NA	NA
+PJ089314	APPLLLKW 	C48H76N10O9	936.5797	NA	PeJP	NA	NA
+HMDB11127	1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol	C51H84O15	936.580994	NA	HMDB2010	NA	NA
+MJ098169	1,2-Di-O-acylglycerols; Glycerol 1,2-di-(9Z,12Z,15Z-octadecatrienoate), 3-O-[?-D-Allopyranosyl-(1?6)-?-D-glucopyranoside] 	C51H84O15	936.581022	NA	MeJP	NA	NA
+PJ089315	VVLLLLMH 	C45H80N10O9S	936.5831	NA	PeJP	NA	NA
+PJ089316	GKKHRRR 	C38H72N20O8	936.5843	NA	PeJP	NA	NA
+PJ089317	SKKKKRY 	C42H76N14O10	936.5869	NA	PeJP	NA	NA
+PJ089318	VLKKFFR 	C47H76N12O8	936.5909	NA	PeJP	NA	NA
+PJ089319	LLLKKHW 	C47H76N12O8	936.591	NA	PeJP	NA	NA
+PJ089320	KKKKKMF 	C44H80N12O8S	936.5943	NA	PeJP	NA	NA
+PJ089321	GPPVKKRR 	C41H76N16O9	936.5982	NA	PeJP	NA	NA
+PJ089322	ASPPVLLLK 	C45H80N10O11	936.6008	NA	PeJP	NA	NA
+PJ089323	PPLLLKKE 	C45H80N10O11	936.6009	NA	PeJP	NA	NA
+PJ089324	PPKKRRR 	C40H76N18O8	936.6094	NA	PeJP	NA	NA
+PJ089325	PPTLLLKR 	C44H80N12O10	936.6121	NA	PeJP	NA	NA
+MJ098170	Glycolipid 	C52H88O14	936.617407	NA	MeJP	NA	NA
+PJ089326	GPLLLLRR 	C43H80N14O9	936.6233	NA	PeJP	NA	NA
+PJ089327	LKKKKHR 	C42H80N16O8	936.6345	NA	PeJP	NA	NA
+PJ089328	PLLLLLQK 	C46H84N10O10	936.6372	NA	PeJP	NA	NA
+PJ089329	PVVLLLKR 	C45H84N12O9	936.6485	NA	PeJP	NA	NA
+PJ089330	PLLLLLKK 	C47H88N10O9	936.6736	NA	PeJP	NA	NA
+HMDB10530	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H100O5	936.75708	NA	HMDB2010	NA	NA
+HMDB05408	TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H108O6	936.814575	NA	HMDB2010	NA	NA
+HMDB05451	TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H108O6	936.814575	NA	HMDB2010	NA	NA
+HMDB05408	TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H108O6	936.81458	http://www.hmdb.ca/metabolites/HMDB05408	HMDB	NA	NA
+HMDB05451	TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H108O6	936.81458	http://www.hmdb.ca/metabolites/HMDB05451	HMDB	NA	NA
+HMDB05408	TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H108O6	936.81458	HMDB05408	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05451	TG(18:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H108O6	936.81458	HMDB05451	PFEM_hmdb_metabocards_official	NA	NA
+MJ098171	Araplysillin I; N20-(13-Methyltetradecanoyl) 	C36H51Br4N3O6	937.051136	NA	MeJP	NA	NA
+PJ089331	GCCCCCCDE 	C29H47N9O14S6	937.1567	NA	PeJP	NA	NA
+PJ089332	CCCCCCDW 	C33H47N9O11S6	937.172	NA	PeJP	NA	NA
+PJ089333	SSCCCCCDD 	C29H47N9O16S5	937.1745	NA	PeJP	NA	NA
+PJ089334	PTCCCCCCC 	C30H51N9O11S7	937.1753	NA	PeJP	NA	NA
+PJ089335	GSCCCCCEM 	C30H51N9O13S6	937.1931	NA	PeJP	NA	NA
+PJ089336	CCCCNDDY 	C33H47N9O15S4	937.2075	NA	PeJP	NA	NA
+PJ089337	SCCCCCMW 	C34H51N9O10S6	937.2084	NA	PeJP	NA	NA
+PJ089338	SSTCCCCCE 	C30H51N9O15S5	937.2108	NA	PeJP	NA	NA
+PJ089339	SSSCCCCDM 	C30H51N9O15S5	937.2109	NA	PeJP	NA	NA
+PJ089340	CCCCNMMM 	C31H55N9O10S7	937.2117	NA	PeJP	NA	NA
+PJ089341	GSPCCCCCY 	C34H51N9O12S5	937.2261	NA	PeJP	NA	NA
+PJ089342	GSTCCCCMM 	C31H55N9O12S6	937.2295	NA	PeJP	NA	NA
+PJ089343	CCCNDDEH 	C32H47N11O16S3	937.2365	NA	PeJP	NA	NA
+PJ089344	ACCCCCFW 	C38H51N9O9S5	937.2414	NA	PeJP	NA	NA
+PJ089345	NDDDDDDD 	C32H43N9O24	937.2421	NA	PeJP	NA	NA
+PJ089346	GGDDDDDDD 	C32H43N9O24	937.2422	NA	PeJP	NA	NA
+PJ089347	SCCCNDMY 	C34H51N9O14S4	937.2439	NA	PeJP	NA	NA
+C05264	(S)-Hydroxydecanoyl-CoA	C31H54N7O18P3S	937.2459	NA	KEGG	NA	NA
+HMDB03938	(S)-Hydroxydecanoyl-CoA	C31H54N7O18P3S	937.24591	http://www.hmdb.ca/metabolites/HMDB03938	HMDB	NA	NA
+HMDB03938	(S)-Hydroxydecanoyl-CoA	C31H54N7O18P3S	937.24591	HMDB03938	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03938	(S)-Hydroxydecanoyl-CoA	C31H54N7O18P3S	937.245911	NA	HMDB2010	NA	NA
+PJ089348	SSSSCCCMM 	C31H55N9O14S5	937.2472	NA	PeJP	NA	NA
+PJ089349	GCCCDDHW 	C36H47N11O13S3	937.2517	NA	PeJP	NA	NA
+PJ089350	GSSCCDDDH 	C32H47N11O18S2	937.2542	NA	PeJP	NA	NA
+PJ089351	GSPCCCCEH 	C33H51N11O13S4	937.2551	NA	PeJP	NA	NA
+C16243	Cobalt-precorrin 5B	C43H50CoN4O16	937.2554	NA	KEGG	NA	NA
+PJ089352	GTCCCCYW 	C38H51N9O11S4	937.2591	NA	PeJP	NA	NA
+PJ089353	GSPCDDDDD 	C33H47N9O21S	937.2608	NA	PeJP	NA	NA
+PJ089354	GSSSCCCEY 	C34H51N9O16S3	937.2616	NA	PeJP	NA	NA
+PJ089355	GCCCQMMY 	C35H55N9O11S5	937.2625	NA	PeJP	NA	NA
+PJ089356	CCCNNNMH 	C32H51N13O12S4	937.2663	NA	PeJP	NA	NA
+PJ089357	GGGGCCCNMH 	C32H51N13O12S4	937.2664	NA	PeJP	NA	NA
+PJ089358	SPCCCCHW 	C37H51N11O10S4	937.2704	NA	PeJP	NA	NA
+PJ089359	CNNNDDDE 	C32H47N11O20S	937.272	NA	PeJP	NA	NA
+PJ089360	SCCNDEMH 	C33H51N11O15S3	937.2729	NA	PeJP	NA	NA
+PJ089361	GCCCCMRY 	C34H55N11O10S5	937.2737	NA	PeJP	NA	NA
+PJ089362	SSSCCCYW 	C38H51N9O13S3	937.2769	NA	PeJP	NA	NA
+PJ089363	SNDDDDEE 	C33H47N9O23	937.2785	NA	PeJP	NA	NA
+PJ089364	SSSSSCCDY 	C34H51N9O18S2	937.2794	NA	PeJP	NA	NA
+PJ089365	SSCCNMMY 	C35H55N9O13S4	937.2802	NA	PeJP	NA	NA
+PJ089366	GGSSCCMMY 	C35H55N9O13S4	937.2803	NA	PeJP	NA	NA
+PJ089367	CDDEMYY 	C39H51N7O16S2	937.2834	NA	PeJP	NA	NA
+MJ098172	C-Alkaloid BL 	C40H50N4O22(+)	937.283844	NA	MeJP	NA	NA
+PJ089368	SCCCDDHR 	C32H51N13O14S3	937.2841	NA	PeJP	NA	NA
+PJ089369	GCNNDDDW 	C36H47N11O17S	937.2873	NA	PeJP	NA	NA
+PJ089370	CEMMMMY 	C37H59N7O11S5	937.2876	NA	PeJP	NA	NA
+PJ089371	GSCCDMHW 	C37H51N11O12S3	937.2881	NA	PeJP	NA	NA
+PJ089372	GSSNNDDDD 	C32H47N11O22	937.2898	NA	PeJP	NA	NA
+PJ089373	PCCDDDDR 	C33H51N11O17S2	937.2906	NA	PeJP	NA	NA
+PJ089374	STCCCCRY 	C34H55N11O12S4	937.2915	NA	PeJP	NA	NA
+PJ089375	CCCNFYW 	C42H51N9O10S3	937.2921	NA	PeJP	NA	NA
+PJ089376	GSDDDDEW 	C37H47N9O20	937.2938	NA	PeJP	NA	NA
+PJ089377	GSCCNEYY 	C38H51N9O15S2	937.2946	NA	PeJP	NA	NA
+PJ089378	GPCDDDMW 	C38H51N9O15S2	937.2947	NA	PeJP	NA	NA
+PJ089379	GCCCQMFF 	C39H55N9O10S4	937.2955	NA	PeJP	NA	NA
+PJ089380	GCNEEEEE 	C34H51N9O20S	937.2971	NA	PeJP	NA	NA
+PJ089381	GNDDEEEM 	C34H51N9O20S	937.2972	NA	PeJP	NA	NA
+PJ089382	GSSSTCCMY 	C35H55N9O15S3	937.298	NA	PeJP	NA	NA
+PJ089383	GCCCKMMY 	C36H59N9O10S5	937.2989	NA	PeJP	NA	NA
+PJ089384	SSSSCCNNH 	C32H51N13O16S2	937.3018	NA	PeJP	NA	NA
+PJ089385	GGSSSSCCNH 	C32H51N13O16S2	937.3019	NA	PeJP	NA	NA
+PJ089386	CDEMMFY 	C40H55N7O13S3	937.302	NA	PeJP	NA	NA
+PJ089387	GCCCEMHR 	C33H55N13O11S4	937.3027	NA	PeJP	NA	NA
+PJ089388	TCCCHWW 	C41H51N11O9S3	937.3034	NA	PeJP	NA	NA
+PJ089389	SSSCCEHW 	C37H51N11O14S2	937.3059	NA	PeJP	NA	NA
+PJ089390	CCQMMHW 	C38H55N11O9S4	937.3067	NA	PeJP	NA	NA
+PJ089391	GACCMMHW 	C38H55N11O9S4	937.3068	NA	PeJP	NA	NA
+PJ089392	GDDDDDMR 	C33H51N11O19S	937.3084	NA	PeJP	NA	NA
+PJ089393	SDDDDWW 	C41H47N9O17	937.309	NA	PeJP	NA	NA
+PJ089394	SSCNEMMH 	C34H55N11O14S3	937.3092	NA	PeJP	NA	NA
+PJ089395	GGSSCEMMH 	C34H55N11O14S3	937.3093	NA	PeJP	NA	NA
+PJ089396	PCCDEWW 	C42H51N9O12S2	937.3099	NA	PeJP	NA	NA
+PJ089397	GCCNMHHH 	C35H51N15O10S3	937.3106	NA	PeJP	NA	NA
+PJ089398	NDDEEMW 	C38H51N9O17S	937.3124	NA	PeJP	NA	NA
+PJ089399	SPPCCDMW 	C39H55N9O12S3	937.3133	NA	PeJP	NA	NA
+PJ089400	SSNDEEEE 	C34H51N9O22	937.3149	NA	PeJP	NA	NA
+PJ089401	SSSSTTCCY 	C35H55N9O17S2	937.3157	NA	PeJP	NA	NA
+PJ089402	SSSSSSCMY 	C35H55N9O17S2	937.3158	NA	PeJP	NA	NA
+PJ089403	GNDDDEHH 	C35H47N13O18	937.3163	NA	PeJP	NA	NA
+PJ089404	PCDDYYY 	C43H51N7O15S	937.3164	NA	PeJP	NA	NA
+PJ089405	STCCCKMY 	C36H59N9O12S4	937.3166	NA	PeJP	NA	NA
+PJ089406	GGPPCDMMM 	C36H59N9O12S4	937.3167	NA	PeJP	NA	NA
+PJ089407	GCCNNNQW 	C36H51N13O13S2	937.3171	NA	PeJP	NA	NA
+PJ089408	CCCMHRW 	C37H55N13O8S4	937.318	NA	PeJP	NA	NA
+PJ089409	SCNNDDDR 	C32H51N13O18S	937.3196	NA	PeJP	NA	NA
+PJ089410	SDEMMYY 	C40H55N7O15S2	937.3198	NA	PeJP	NA	NA
+PJ089411	SSCCDMHR 	C33H55N13O13S3	937.3205	NA	PeJP	NA	NA
+PJ089412	PCMMMYY 	C41H59N7O10S4	937.3207	NA	PeJP	NA	NA
+PJ089413	CCNEHFW 	C41H51N11O11S2	937.3211	NA	PeJP	NA	NA
+PJ089414	CDDDERW 	C37H51N11O16S	937.3236	NA	PeJP	NA	NA
+PJ089415	GGGGGSDDMW 	C37H51N11O16S	937.3237	NA	PeJP	NA	NA
+PJ089416	TMMMMMY 	C38H63N7O10S5	937.324	NA	PeJP	NA	NA
+PJ089417	GSSCMMHW 	C38H55N11O11S3	937.3245	NA	PeJP	NA	NA
+PJ089418	SSDDDDER 	C33H51N11O21	937.3261	NA	PeJP	NA	NA
+PJ089419	SPCDDDMR 	C34H55N11O16S2	937.327	NA	PeJP	NA	NA
+PJ089420	CNNDFYY 	C42H51N9O14S	937.3276	NA	PeJP	NA	NA
+PJ089421	GDDEMWW 	C42H51N9O14S	937.3277	NA	PeJP	NA	NA
+PJ089422	PPCCCEMR 	C35H59N11O11S4	937.3279	NA	PeJP	NA	NA
+PJ089423	SSCCQHHH 	C35H51N15O12S2	937.3283	NA	PeJP	NA	NA
+PJ089424	GGSTCCHHH 	C35H51N15O12S2	937.3284	NA	PeJP	NA	NA
+PJ089425	GSSDEEEW 	C38H51N9O19	937.3302	NA	PeJP	NA	NA
+PJ089426	GSPDDMMW 	C39H55N9O14S2	937.331	NA	PeJP	NA	NA
+PJ089427	NDDDHHW 	C39H47N13O15	937.3315	NA	PeJP	NA	NA
+PJ089428	APPCCMMW 	C40H59N9O9S4	937.3319	NA	PeJP	NA	NA
+PJ089429	GSQEEEEM 	C35H55N9O19S	937.3335	NA	PeJP	NA	NA
+PJ089430	GDEEYYY 	C43H51N7O17	937.3342	NA	PeJP	NA	NA
+PJ089431	GPNEEMMM 	C36H59N9O14S3	937.3344	NA	PeJP	NA	NA
+PJ089432	SSCNNNNW 	C36H51N13O15S	937.3349	NA	PeJP	NA	NA
+PJ089433	PCDMFYY 	C44H55N7O12S2	937.335	NA	PeJP	NA	NA
+PJ089434	CDEMFFF 	C44H55N7O12S2	937.3351	NA	PeJP	NA	NA
+PJ089435	GPCCCNRW 	C37H55N13O10S3	937.3357	NA	PeJP	NA	NA
+PJ089436	GGGPCCCRW 	C37H55N13O10S3	937.3358	NA	PeJP	NA	NA
+PJ089437	GCCHFWW 	C45H51N11O8S2	937.3364	NA	PeJP	NA	NA
+PJ089438	SSSSNNNND 	C32H51N13O20	937.3374	NA	PeJP	NA	NA
+PJ089439	GCNNDEMR 	C33H55N13O15S2	937.3382	NA	PeJP	NA	NA
+PJ089440	GGGGGCDEMR 	C33H55N13O15S2	937.3383	NA	PeJP	NA	NA
+PJ089441	AEMMMYY 	C41H59N7O12S3	937.3384	NA	PeJP	NA	NA
+PJ089442	SCNNEWW 	C41H51N11O13S	937.3389	NA	PeJP	NA	NA
+PJ089443	GTCCMMHR 	C34H59N13O10S4	937.3391	NA	PeJP	NA	NA
+PJ089444	SSSNNDEW 	C37H51N11O18	937.3414	NA	PeJP	NA	NA
+PJ089445	SSSTCMHW 	C38H55N11O13S2	937.3423	NA	PeJP	NA	NA
+PJ089446	DDMWWW 	C46H51N9O11S	937.3429	NA	PeJP	NA	NA
+PJ089447	CCKMMHW 	C39H59N11O8S4	937.3431	NA	PeJP	NA	NA
+PJ089448	SSSSPCNQE 	C34H55N11O18S	937.3447	NA	PeJP	NA	NA
+PJ089449	GSDDEEMR 	C34H55N11O18S	937.3448	NA	PeJP	NA	NA
+PJ089450	SSDEEWW 	C42H51N9O16	937.3454	NA	PeJP	NA	NA
+PJ089451	GPCDEMMR 	C35H59N11O13S3	937.3456	NA	PeJP	NA	NA
+PJ089452	GGGGGGSPMMM 	C35H59N11O13S3	937.3457	NA	PeJP	NA	NA
+PJ089453	GSSSSCHHH 	C35H51N15O14S	937.3461	NA	PeJP	NA	NA
+PJ089454	SPCEMWW 	C43H55N9O11S2	937.3463	NA	PeJP	NA	NA
+PJ089455	ACCCKHHH 	C36H55N15O9S3	937.347	NA	PeJP	NA	NA
+PJ089456	SQEEEMW 	C39H55N9O16S	937.3488	NA	PeJP	NA	NA
+PJ089457	DEYYYW 	C47H51N7O14	937.3494	NA	PeJP	NA	NA
+PJ089458	GCCNDDRR 	C32H55N15O14S2	937.3495	NA	PeJP	NA	NA
+PJ089459	SSPPCMMW 	C40H59N9O11S3	937.3496	NA	PeJP	NA	NA
+PJ089460	PNEMMMW 	C40H59N9O11S3	937.3497	NA	PeJP	NA	NA
+PJ089461	GSPCDHHW 	C40H51N13O12S	937.3501	NA	PeJP	NA	NA
+PJ089462	SSTQEEEE 	C35H55N9O21	937.3513	NA	PeJP	NA	NA
+MJ098173	Taxol?; 2',7-Di-Ac 	C51H55NO16	937.352084	NA	MeJP	NA	NA
+PJ089463	SSSSPPDMM 	C36H59N9O16S2	937.3521	NA	PeJP	NA	NA
+PJ089464	AAQEEEMM 	C36H59N9O16S2	937.3522	NA	PeJP	NA	NA
+PJ089465	GNNNNNEY 	C36H51N13O17	937.3526	NA	PeJP	NA	NA
+PJ089466	GGGGGGGGGNEY 	C36H51N13O17	937.3527	NA	PeJP	NA	NA
+PJ089467	SPDMYYY 	C44H55N7O14S	937.3528	NA	PeJP	NA	NA
+PJ089468	SPPNMMMM 	C37H63N9O11S4	937.353	NA	PeJP	NA	NA
+PJ089469	CNNDMRW 	C37H55N13O12S2	937.3535	NA	PeJP	NA	NA
+PJ089470	PCMMFFY 	C45H59N7O9S3	937.3537	NA	PeJP	NA	NA
+PJ089471	GSCNWWW 	C45H51N11O10S	937.3541	NA	PeJP	NA	NA
+PJ089472	GGGSCWWW 	C45H51N11O10S	937.3542	NA	PeJP	NA	NA
+PJ089473	CMHHHHH 	C38H51N17O8S2	937.3548	NA	PeJP	NA	NA
+PJ089474	SSNNDDMR 	C33H55N13O17S	937.356	NA	PeJP	NA	NA
+PJ089475	TTEMMYY 	C41H59N7O14S2	937.3562	NA	PeJP	NA	NA
+PJ089476	GSSSNDWW 	C41H51N11O15	937.3566	NA	PeJP	NA	NA
+PJ089477	GGGSSSDWW 	C41H51N11O15	937.3567	NA	PeJP	NA	NA
+PJ089478	SSSCMMHR 	C34H59N13O12S3	937.3569	NA	PeJP	NA	NA
+PJ089479	CLMMMFY 	C42H63N7O9S4	937.357	NA	PeJP	NA	NA
+PJ089480	GNNMMWW 	C42H55N11O10S2	937.3575	NA	PeJP	NA	NA
+PJ089481	SDDEMRW 	C38H55N11O15S	937.36	NA	PeJP	NA	NA
+PJ089482	GPDDYWW 	C46H51N9O13	937.3607	NA	PeJP	NA	NA
+PJ089483	PCDMMRW 	C39H59N11O10S3	937.3609	NA	PeJP	NA	NA
+PJ089484	CNQHHHY 	C39H51N15O11S	937.3613	NA	PeJP	NA	NA
+PJ089485	CNNQHHW 	C39H51N15O11S	937.3614	NA	PeJP	NA	NA
+PJ089486	PPCCFWW 	C47H55N9O8S2	937.3615	NA	PeJP	NA	NA
+PJ089487	SSSDEEER 	C34H55N11O20	937.3625	NA	PeJP	NA	NA
+PJ089488	NEEEMMR 	C35H59N11O15S2	937.3634	NA	PeJP	NA	NA
+PJ089489	GSDDDHHR 	C35H51N15O16	937.3639	NA	PeJP	NA	NA
+PJ089490	GTEEMWW 	C43H55N9O13S	937.364	NA	PeJP	NA	NA
+PJ089491	GGPDEMFW 	C43H55N9O13S	937.3641	NA	PeJP	NA	NA
+PJ089492	PPTCCMMR 	C36H63N11O10S4	937.3643	NA	PeJP	NA	NA
+PJ089493	GPCCEHHR 	C36H55N15O11S2	937.3647	NA	PeJP	NA	NA
+PJ089494	GPMMMWW 	C44H59N9O8S3	937.3649	NA	PeJP	NA	NA
+PJ089495	GSTTEEEW 	C39H55N9O18	937.3665	NA	PeJP	NA	NA
+PJ089496	GGGPTEEEY 	C39H55N9O18	937.3666	NA	PeJP	NA	NA
+PJ089497	GSSSCNNNR 	C32H55N15O16S	937.3672	NA	PeJP	NA	NA
+PJ089498	GGGGGGGSSSCR 	C32H55N15O16S	937.3673	NA	PeJP	NA	NA
+PJ089499	VNEEMMW 	C40H59N9O13S2	937.3674	NA	PeJP	NA	NA
+PJ089500	NNNNNYW 	C40H51N13O14	937.3679	NA	PeJP	NA	NA
+PJ089501	EMFYYW 	C48H55N7O11S	937.3681	NA	PeJP	NA	NA
+PJ089502	ACCNRWW 	C41H55N13O9S2	937.3687	NA	PeJP	NA	NA
+PJ089503	GCCQRWW 	C41H55N13O9S2	937.3688	NA	PeJP	NA	NA
+PJ089504	GSKEEEEM 	C36H59N9O18S	937.3699	NA	PeJP	NA	NA
+PJ089505	SVDEYYY 	C44H55N7O16	937.3705	NA	PeJP	NA	NA
+PJ089506	ATEEYYY 	C44H55N7O16	937.3706	NA	PeJP	NA	NA
+PJ089507	GPDKEMMM 	C37H63N9O13S3	937.3708	NA	PeJP	NA	NA
+PJ089508	GNNNNQMF 	C37H55N13O14S	937.3712	NA	PeJP	NA	NA
+PJ089509	GSSCNERW 	C37H55N13O14S	937.3713	NA	PeJP	NA	NA
+PJ089510	APMMYYY 	C45H59N7O11S2	937.3714	NA	PeJP	NA	NA
+PJ089511	GNNDFWW 	C45H51N11O12	937.3719	NA	PeJP	NA	NA
+PJ089512	CNMMHFR 	C38H59N13O9S3	937.3721	NA	PeJP	NA	NA
+PJ089513	GPCNHHHH 	C38H51N17O10S	937.3726	NA	PeJP	NA	NA
+PJ089514	SSSSSNNQQ 	C33H55N13O19	937.3737	NA	PeJP	NA	NA
+PJ089515	GSSSSNDER 	C33H55N13O19	937.3738	NA	PeJP	NA	NA
+PJ089516	DDDMMRR 	C34H59N13O14S2	937.3746	NA	PeJP	NA	NA
+PJ089517	GGGGGGGGTCKM 	C34H59N13O14S2	937.3747	NA	PeJP	NA	NA
+PJ089518	SLMMMYY 	C42H63N7O11S3	937.3748	NA	PeJP	NA	NA
+PJ089519	SSNQMWW 	C42H55N11O12S	937.3753	NA	PeJP	NA	NA
+PJ089520	SSSSQQEW 	C38H55N11O17	937.3778	NA	PeJP	NA	NA
+PJ089521	GEEMMRW 	C39H59N11O12S2	937.3786	NA	PeJP	NA	NA
+PJ089522	GGNDKMMW 	C39H59N11O12S2	937.3787	NA	PeJP	NA	NA
+PJ089523	GSSNNHHW 	C39H51N15O13	937.3791	NA	PeJP	NA	NA
+PJ089524	TEMWWW 	C47H55N9O10S	937.3793	NA	PeJP	NA	NA
+PJ089525	PCCHHRW 	C40H55N15O8S2	937.38	NA	PeJP	NA	NA
+PJ089526	SSSSTTTMH 	C35H59N11O17S	937.3811	NA	PeJP	NA	NA
+PJ089527	GSTEEEMR 	C35H59N11O17S	937.3812	NA	PeJP	NA	NA
+PJ089528	STTEEWW 	C43H55N9O15	937.3818	NA	PeJP	NA	NA
+PJ089529	GSPEMMMR 	C36H63N11O12S3	937.382	NA	PeJP	NA	NA
+PJ089530	GCNNNNFR 	C36H55N15O13S	937.3825	NA	PeJP	NA	NA
+PJ089531	GVEMMWW 	C44H59N9O10S2	937.3827	NA	PeJP	NA	NA
+PJ089532	GSEHHWW 	C44H51N13O11	937.3831	NA	PeJP	NA	NA
+PJ089533	SKEEEMW 	C40H59N9O15S	937.3852	NA	PeJP	NA	NA
+PJ089534	GPEFYYY 	C48H55N7O13	937.3858	NA	PeJP	NA	NA
+PJ089535	GSCNDMRR 	C33H59N15O13S2	937.3859	NA	PeJP	NA	NA
+PJ089536	PDKMMMW 	C41H63N9O10S3	937.386	NA	PeJP	NA	NA
+PJ089537	GGAPPMMMF 	C41H63N9O10S3	937.3861	NA	PeJP	NA	NA
+PJ089538	SSCNRWW 	C41H55N13O11S	937.3865	NA	PeJP	NA	NA
+PJ089539	PCMFFFF 	C49H59N7O8S2	937.3867	NA	PeJP	NA	NA
+PJ089540	SSTKEEEE 	C36H59N9O20	937.3877	NA	PeJP	NA	NA
+PJ089541	SSPKEEMM 	C37H63N9O15S2	937.3885	NA	PeJP	NA	NA
+PJ089542	AAKEEEMM 	C37H63N9O15S2	937.3886	NA	PeJP	NA	NA
+PJ089543	SSSSNDRW 	C37H55N13O16	937.389	NA	PeJP	NA	NA
+PJ089544	GGGGGGGGGPPPD 	C37H55N13O16	937.3891	NA	PeJP	NA	NA
+PJ089545	GLEMYYY 	C45H59N7O13S	937.3892	NA	PeJP	NA	NA
+PJ089546	GPLQMMMM 	C38H67N9O10S4	937.3894	NA	PeJP	NA	NA
+PJ089547	SNNMMRW 	C38H59N13O11S2	937.3899	NA	PeJP	NA	NA
+PJ089548	CLMMFFF 	C46H63N7O8S3	937.3901	NA	PeJP	NA	NA
+PJ089549	NQEHHHH 	C38H51N17O12	937.3903	NA	PeJP	NA	NA
+PJ089550	GGQEHHHH 	C38H51N17O12	937.3904	NA	PeJP	NA	NA
+PJ089551	GNMHFFW 	C46H55N11O9S	937.3905	NA	PeJP	NA	NA
+PJ089552	SSSNQEMR 	C34H59N13O16S	937.3924	NA	PeJP	NA	NA
+PJ089553	GSSSTQWW 	C42H55N11O14	937.393	NA	PeJP	NA	NA
+PJ089554	GGGGGGVEYW 	C42H55N11O14	937.3931	NA	PeJP	NA	NA
+PJ089555	NQQMMMR 	C35H63N13O11S3	937.3932	NA	PeJP	NA	NA
+PJ089556	GGQQMMMR 	C35H63N13O11S3	937.3933	NA	PeJP	NA	NA
+PJ089557	CDDHHRR 	C35H55N17O12S	937.3937	NA	PeJP	NA	NA
+PJ089558	EMMRWW 	C43H59N11O9S2	937.3939	NA	PeJP	NA	NA
+PJ089559	STEEMRW 	C39H59N11O14S	937.3964	NA	PeJP	NA	NA
+PJ089560	GNQFFYY 	C47H55N9O12	937.397	NA	PeJP	NA	NA
+PJ089561	GPTEYWW 	C47H55N9O12	937.3971	NA	PeJP	NA	NA
+PJ089562	SPMMMRW 	C40H63N11O9S3	937.3973	NA	PeJP	NA	NA
+PJ089563	ACEHHRW 	C40H55N15O10S	937.3977	NA	PeJP	NA	NA
+PJ089564	GDMHHRW 	C40H55N15O10S	937.3978	NA	PeJP	NA	NA
+PJ089565	VMMWWW 	C48H59N9O7S2	937.3979	NA	PeJP	NA	NA
+PJ089566	SHHWWW 	C48H51N13O8	937.3984	NA	PeJP	NA	NA
+PJ089567	SSTTEEER 	C35H59N11O19	937.3989	NA	PeJP	NA	NA
+PJ089568	DKEEMMR 	C36H63N11O14S2	937.3998	NA	PeJP	NA	NA
+PJ089569	GSNNNNRY 	C36H55N15O15	937.4002	NA	PeJP	NA	NA
+PJ089570	GGGGGSNNRY 	C36H55N15O15	937.4003	NA	PeJP	NA	NA
+PJ089571	SSLEMWW 	C44H59N9O12S	937.4004	NA	PeJP	NA	NA
+PJ089572	AAPMMMMR 	C37H67N11O9S4	937.4007	NA	PeJP	NA	NA
+PJ089573	PFYYYW 	C52H55N7O10	937.4011	NA	PeJP	NA	NA
+PJ089574	AAMHHWW 	C45H55N13O8S	937.4018	NA	PeJP	NA	NA
+PJ089575	SSSTLEEW 	C40H59N9O17	937.4029	NA	PeJP	NA	NA
+PJ089576	SSSCNERR 	C33H59N15O15S	937.4036	NA	PeJP	NA	NA
+PJ089577	VDKEMMW 	C41H63N9O12S2	937.4038	NA	PeJP	NA	NA
+PJ089578	GNNERYW 	C41H55N13O13	937.4043	NA	PeJP	NA	NA
+PJ089579	LMYYYW 	C49H59N7O10S	937.4044	NA	PeJP	NA	NA
+PJ089580	CNQMMRR 	C34H63N15O10S3	937.4045	NA	PeJP	NA	NA
+PJ089581	GCCKRWW 	C42H59N13O8S2	937.4051	NA	PeJP	NA	NA
+PJ089582	GQHHHHW 	C42H51N17O9	937.4056	NA	PeJP	NA	NA
+PJ089583	ATTKEEEM 	C37H63N9O17S	937.4063	NA	PeJP	NA	NA
+PJ089584	STLEYYY 	C45H59N7O15	937.4069	NA	PeJP	NA	NA
+PJ089585	APTKEMMM 	C38H67N9O12S3	937.4072	NA	PeJP	NA	NA
+PJ089586	GSSSQMRW 	C38H59N13O13S	937.4076	NA	PeJP	NA	NA
+PJ089587	GGGGGSPMRY 	C38H59N13O13S	937.4077	NA	PeJP	NA	NA
+PJ089588	ALMMFYY 	C46H63N7O10S2	937.4078	NA	PeJP	NA	NA
+PJ089589	QQQYWW 	C46H55N11O11	937.4083	NA	PeJP	NA	NA
+MJ098174	Taxol?; N-Debenzoyl, N-hexanoyl, 10-de-Ac, 7-O-?-D-xylopyranoside 	C49H63NO17	937.409599	NA	MeJP	NA	NA
+PJ089590	GSSSSTQER 	C34H59N13O18	937.4101	NA	PeJP	NA	NA
+PJ089591	GGGGGGSSSSTK 	C34H59N13O18	937.4102	NA	PeJP	NA	NA
+PJ089592	SEEMMRR 	C35H63N13O13S2	937.411	NA	PeJP	NA	NA
+PJ089593	SSSNNHHR 	C35H55N17O14	937.4115	NA	PeJP	NA	NA
+PJ089594	SSNKMWW 	C43H59N11O11S	937.4116	NA	PeJP	NA	NA
+PJ089595	GGSSKMWW 	C43H59N11O11S	937.4117	NA	PeJP	NA	NA
+PJ089596	PTYWWW 	C51H55N9O9	937.4123	NA	PeJP	NA	NA
+PJ089597	SSSSQKEW 	C39H59N11O16	937.4141	NA	PeJP	NA	NA
+PJ089598	GGSSSTKEW 	C39H59N11O16	937.4142	NA	PeJP	NA	NA
+PJ089599	SVEMMRW 	C40H63N11O11S2	937.415	NA	PeJP	NA	NA
+PJ089600	GGGGGPKMMF 	C40H63N11O11S2	937.4151	NA	PeJP	NA	NA
+PJ089601	SSEHHRW 	C40H55N15O12	937.4155	NA	PeJP	NA	NA
+PJ089602	GPVMYWW 	C48H59N9O9S	937.4157	NA	PeJP	NA	NA
+PJ089603	PHHHHHH 	C41H51N19O8	937.4169	NA	PeJP	NA	NA
+PJ089604	SSSLEEMR 	C36H63N11O16S	937.4175	NA	PeJP	NA	NA
+PJ089605	SPKEEYW 	C44H59N9O14	937.4182	NA	PeJP	NA	NA
+PJ089606	LQEMMMR 	C37H67N11O11S3	937.4184	NA	PeJP	NA	NA
+PJ089607	GSSSCRRW 	C37H59N15O12S	937.4189	NA	PeJP	NA	NA
+PJ089608	ATLMMWW 	C45H63N9O9S2	937.419	NA	PeJP	NA	NA
+PJ089609	SVVMMWW 	C45H63N9O9S2	937.4191	NA	PeJP	NA	NA
+PJ089610	NNRYWW 	C45H55N13O10	937.4195	NA	PeJP	NA	NA
+PJ089611	GSSSSSDRR 	C33H59N15O17	937.4214	NA	PeJP	NA	NA
+PJ089612	PTTTTTMW 	C41H63N9O14S	937.4215	NA	PeJP	NA	NA
+PJ089613	GTTTLEMW 	C41H63N9O14S	937.4216	NA	PeJP	NA	NA
+PJ089614	GPLYYYY 	C49H59N7O12	937.4222	NA	PeJP	NA	NA
+PJ089615	GGGSSMMRR 	C34H63N15O12S2	937.4223	NA	PeJP	NA	NA
+PJ089616	VLQMMMW 	C42H67N9O9S3	937.4224	NA	PeJP	NA	NA
+PJ089617	GNQMFRW 	C42H59N13O10S	937.4229	NA	PeJP	NA	NA
+PJ089618	GHHFFFF 	C50H55N11O8	937.4236	NA	PeJP	NA	NA
+PJ089619	SSSSSLLEE 	C37H63N9O19	937.424	NA	PeJP	NA	NA
+PJ089620	TTTTKEEE 	C37H63N9O19	937.4241	NA	PeJP	NA	NA
+2875	opioid fragment of dermorphin	YIFHLMD	937.4243	antibacterial	Inhouse_peptide	NA	peptide
+PJ089621	GTLKEEMM 	C38H67N9O14S2	937.4249	NA	PeJP	NA	NA
+PJ089622	SSSSTQRW 	C38H59N13O15	937.4254	NA	PeJP	NA	NA
+PJ089623	SVLMYYY 	C46H63N7O12S	937.4256	NA	PeJP	NA	NA
+PJ089624	GPLKMMMM 	C39H71N9O9S4	937.4258	NA	PeJP	NA	NA
+PJ089625	SCQKMRW 	C39H63N13O10S2	937.4263	NA	PeJP	NA	NA
+PJ089626	NNNHHFR 	C39H55N17O11	937.4267	NA	PeJP	NA	NA
+PJ089627	GGGGNHHFR 	C39H55N17O11	937.4268	NA	PeJP	NA	NA
+PJ089628	PMRYWW 	C47H59N11O8S	937.4269	NA	PeJP	NA	NA
+2573	vasopressin	CYFQNCPRGG	937.4269	antibacterial	Inhouse_peptide	NA	peptide
+PJ089629	SSSNKEMR 	C35H63N13O15S	937.4288	NA	PeJP	NA	NA
+PJ089630	GSSSTKWW 	C43H59N11O13	937.4294	NA	PeJP	NA	NA
+PJ089631	VDMMMRR 	C36H67N13O10S3	937.4296	NA	PeJP	NA	NA
+PJ089632	GGGAKMMMR 	C36H67N13O10S3	937.4297	NA	PeJP	NA	NA
+PJ089633	SDMHHRR 	C36H59N17O11S	937.4301	NA	PeJP	NA	NA
+PJ089634	GCKKMWW 	C44H63N11O8S2	937.4303	NA	PeJP	NA	NA
+PJ089635	PPQHHHW 	C44H55N15O9	937.4308	NA	PeJP	NA	NA
+PJ089636	GSSDKKMW 	C40H63N11O13S	937.4328	NA	PeJP	NA	NA
+PJ089637	AALEYWW 	C48H59N9O11	937.4334	NA	PeJP	NA	NA
+PJ089638	GGPVEFFW 	C48H59N9O11	937.4335	NA	PeJP	NA	NA
+PJ089639	ALMMMRW 	C41H67N11O8S3	937.4337	NA	PeJP	NA	NA
+PJ089640	GCNFRRW 	C41H59N15O9S	937.4341	NA	PeJP	NA	NA
+PJ089641	TTTTTEER 	C36H63N11O18	937.4353	NA	PeJP	NA	NA
+PJ089642	GTTLEMMR 	C37H67N11O13S2	937.4362	NA	PeJP	NA	NA
+PJ089643	SNNERRY 	C37H59N15O14	937.4366	NA	PeJP	NA	NA
+PJ089644	GGGGAPTEHR 	C37H59N15O14	937.4367	NA	PeJP	NA	NA
+PJ089645	TTTLMWW 	C45H63N9O11S	937.4368	NA	PeJP	NA	NA
+PJ089646	LFFYYW 	C53H59N7O9	937.4375	NA	PeJP	NA	NA
+PJ089647	SQHHHHR 	C38H55N19O10	937.438	NA	PeJP	NA	NA
+PJ089648	STTTTLEW 	C41H63N9O16	937.4393	NA	PeJP	NA	NA
+PJ089649	SSSSQMRR 	C34H63N15O14S	937.44	NA	PeJP	NA	NA
+PJ089650	TLKEMMW 	C42H67N9O11S2	937.4402	NA	PeJP	NA	NA
+PJ089651	GTQQRYW 	C42H59N13O12	937.4406	NA	PeJP	NA	NA
+PJ089652	EERRYW 	C42H59N13O12	937.4407	NA	PeJP	NA	NA
+PJ089653	ALMFFFY 	C50H63N7O9S	937.4408	NA	PeJP	NA	NA
+PJ089654	CNKMMRR 	C35H67N15O9S3	937.4409	NA	PeJP	NA	NA
+PJ089655	GKHHHHW 	C43H55N17O8	937.442	NA	PeJP	NA	NA
+PJ089656	STTLKEEM 	C38H67N9O16S	937.4427	NA	PeJP	NA	NA
+PJ089657	GVLKEMMM 	C39H71N9O11S3	937.4436	NA	PeJP	NA	NA
+PJ089658	GSSSKMRW 	C39H63N13O12S	937.444	NA	PeJP	NA	NA
+PJ089659	GGGGGGACKKF 	C39H63N13O12S	937.4441	NA	PeJP	NA	NA
+PJ089660	VERYWW 	C47H59N11O10	937.4447	NA	PeJP	NA	NA
+PJ089661	GSSSSTKER 	C35H63N13O17	937.4465	NA	PeJP	NA	NA
+PJ089662	GSTQKMMR 	C36H67N13O12S2	937.4474	NA	PeJP	NA	NA
+PJ089663	GSPNDHRR 	C36H59N17O13	937.4479	NA	PeJP	NA	NA
+PJ089664	STCKKWW 	C44H63N11O10S	937.448	NA	PeJP	NA	NA
+PJ089665	GGPCKKYW 	C44H63N11O10S	937.4481	NA	PeJP	NA	NA
+PJ089666	VVYWWW 	C52H59N9O8	937.4487	NA	PeJP	NA	NA
+PJ089667	SSSSKKEW 	C40H63N11O15	937.4505	NA	PeJP	NA	NA
+PJ089668	VDKEERY 	C40H63N11O15	937.4506	NA	PeJP	NA	NA
+PJ089669	SSSSCRRR 	C33H63N17O13S	937.4512	NA	PeJP	NA	NA
+PJ089670	TTLMMRW 	C41H67N11O10S2	937.4514	NA	PeJP	NA	NA
+PJ089671	GSNRRYW 	C41H59N15O11	937.4519	NA	PeJP	NA	NA
+PJ089672	GVLMFWW 	C49H63N9O8S	937.4521	NA	PeJP	NA	NA
+PJ089673	STTTLEMR 	C37H67N11O15S	937.4539	NA	PeJP	NA	NA
+PJ089674	ALKEEYW 	C45H63N9O13	937.4546	NA	PeJP	NA	NA
+PJ089675	LKEMMMR 	C38H71N11O10S3	937.4548	NA	PeJP	NA	NA
+PJ089676	GQQMRRY 	C38H63N15O11S	937.4553	NA	PeJP	NA	NA
+PJ089677	PVKMMFW 	C46H67N9O8S2	937.4554	NA	PeJP	NA	NA
+PJ089678	GPQKHWW 	C46H59N13O9	937.4559	NA	PeJP	NA	NA
+PJ089679	ASSSSSTRR 	C34H63N15O16	937.4577	NA	PeJP	NA	NA
+PJ089680	GSSSSTTRR 	C34H63N15O16	937.4578	NA	PeJP	NA	NA
+PJ089681	SSTTLLMW 	C42H67N9O13S	937.4579	NA	PeJP	NA	NA
+PJ089682	GGGVLLEMY 	C42H67N9O13S	937.458	NA	PeJP	NA	NA
+PJ089683	GLLFYYY 	C50H63N7O11	937.4586	NA	PeJP	NA	NA
+PJ089684	VLKMMMW 	C43H71N9O8S3	937.4588	NA	PeJP	NA	NA
+PJ089685	NNNQHRR 	C35H59N19O12	937.4591	NA	PeJP	NA	NA
+PJ089686	GNKMFRW 	C43H63N13O9S	937.4593	NA	PeJP	NA	NA
+PJ089687	PFFRWW 	C51H59N11O7	937.4599	NA	PeJP	NA	NA
+PJ089688	SSSTTTLLE 	C38H67N9O18	937.4604	NA	PeJP	NA	NA
+PJ089689	SSLLKEMM 	C39H71N9O13S2	937.4613	NA	PeJP	NA	NA
+PJ089690	SSSSTKRW 	C39H63N13O14	937.4618	NA	PeJP	NA	NA
+PJ089691	SCKKMRW 	C40H67N13O9S2	937.4626	NA	PeJP	NA	NA
+PJ089692	PCLMRRY 	C40H67N13O9S2	937.4627	NA	PeJP	NA	NA
+PJ089693	GEHHFRR 	C40H59N17O10	937.4631	NA	PeJP	NA	NA
+PJ089694	LMFRWW 	C48H63N11O7S	937.4633	NA	PeJP	NA	NA
+PJ089695	SSTTQKMR 	C36H67N13O14S	937.4651	NA	PeJP	NA	NA
+PJ089696	SSSDKKMR 	C36H67N13O14S	937.4652	NA	PeJP	NA	NA
+PJ089697	ATLERYW 	C44H63N11O12	937.4658	NA	PeJP	NA	NA
+PJ089698	TLMMMRR 	C37H71N13O9S3	937.466	NA	PeJP	NA	NA
+PJ089699	GCQRRRY 	C37H63N17O10S	937.4665	NA	PeJP	NA	NA
+PJ089700	GVHHFRW 	C45H59N15O8	937.4672	NA	PeJP	NA	NA
+PJ089701	GSTTKKMW 	C41H67N11O12S	937.4692	NA	PeJP	NA	NA
+PJ089702	GTLLYWW 	C49H63N9O10	937.4698	NA	PeJP	NA	NA
+PJ089703	GSSTTTKKE 	C37H67N11O17	937.4717	NA	PeJP	NA	NA
+PJ089704	SSTLLMMR 	C38H71N11O12S2	937.4725	NA	PeJP	NA	NA
+PJ089705	GSKKKEMM 	C38H71N11O12S2	937.4726	NA	PeJP	NA	NA
+PJ089706	SNDKRRY 	C38H63N15O13	937.473	NA	PeJP	NA	NA
+PJ089707	GGGGGGGGPPLR 	C38H63N15O13	937.4731	NA	PeJP	NA	NA
+PJ089708	PTLKMYW 	C46H67N9O10S	937.4732	NA	PeJP	NA	NA
+PJ089709	VKMMHHR 	C39H67N15O8S2	937.4739	NA	PeJP	NA	NA
+PJ089710	SKHHHHR 	C39H59N19O9	937.4744	NA	PeJP	NA	NA
+PJ089711	LKKEEEY 	C42H67N9O15	937.4757	NA	PeJP	NA	NA
+PJ089712	SSSSKMRR 	C35H67N15O13S	937.4764	NA	PeJP	NA	NA
+PJ089713	GPVLKMMY 	C43H71N9O10S2	937.4766	NA	PeJP	NA	NA
+PJ089714	GTQKRYW 	C43H63N13O11	937.477	NA	PeJP	NA	NA
+3722	NA	WWPKHKG	937.477	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ089715	GGPKKEHW 	C43H63N13O11	937.4771	NA	PeJP	NA	NA
+PJ089716	PCNHRRR 	C36H63N19O9S	937.4777	NA	PeJP	NA	NA
+PJ089717	HHFRRW 	C44H59N17O7	937.4784	NA	PeJP	NA	NA
+PJ089718	SSSSTLLLM 	C39H71N9O15S	937.4791	NA	PeJP	NA	NA
+PJ089719	ATLLKMMM 	C40H75N9O10S3	937.4799	NA	PeJP	NA	NA
+PJ089720	ALEMRRY 	C40H67N13O11S	937.4804	NA	PeJP	NA	NA
+PJ089721	QKKYWW 	C48H63N11O9	937.4811	NA	PeJP	NA	NA
+MJ098175	Phenelfamycin; Phenelfamycin A 	C51H71NO15	937.48237	NA	MeJP	NA	NA
+MJ098176	Phenelfamycin; Phenelfamycin B 	C51H71NO15	937.48237	NA	MeJP	NA	NA
+PJ089722	SSSSSSLKR 	C36H67N13O16	937.4829	NA	PeJP	NA	NA
+PJ089723	GSTKKMMR 	C37H71N13O11S2	937.4838	NA	PeJP	NA	NA
+PJ089724	SSNRRRY 	C37H63N17O12	937.4842	NA	PeJP	NA	NA
+PJ089725	GGSSRRRY 	C37H63N17O12	937.4843	NA	PeJP	NA	NA
+PJ089726	GLLMRYW 	C45H67N11O9S	937.4844	NA	PeJP	NA	NA
+PJ089727	SSTTTKKW 	C41H67N11O14	937.4869	NA	PeJP	NA	NA
+PJ089728	GGALLLEEH 	C41H67N11O14	937.487	NA	PeJP	NA	NA
+PJ089729	SKKKMMW 	C42H71N11O9S2	937.4878	NA	PeJP	NA	NA
+PJ089730	SPQKHRW 	C42H63N15O10	937.4883	NA	PeJP	NA	NA
+PJ089731	SSTKKKEM 	C38H71N11O14S	937.4903	NA	PeJP	NA	NA
+PJ089732	SLLKEYW 	C46H67N9O12	937.4909	NA	PeJP	NA	NA
+PJ089733	TLLDKYW 	C46H67N9O12	937.491	NA	PeJP	NA	NA
+PJ089734	AAKKKMMM 	C39H75N11O9S3	937.4912	NA	PeJP	NA	NA
+PJ089735	GQKMRRY 	C39H67N15O10S	937.4916	NA	PeJP	NA	NA
+PJ089736	GGAKMRRY 	C39H67N15O10S	937.4917	NA	PeJP	NA	NA
+PJ089737	GPKKHWW 	C47H63N13O8	937.4923	NA	PeJP	NA	NA
+PJ089738	AALLKEMY 	C43H71N9O12S	937.4943	NA	PeJP	NA	NA
+PJ089739	GQEHRRR 	C36H63N19O11	937.4955	NA	PeJP	NA	NA
+PJ089740	ACKKFRW 	C44H67N13O8S	937.4957	NA	PeJP	NA	NA
+PJ089741	STTTTTTLL 	C39H71N9O17	937.4968	NA	PeJP	NA	NA
+PJ089742	TTTLLKMM 	C40H75N9O12S2	937.4977	NA	PeJP	NA	NA
+PJ089743	TTLERRY 	C40H67N13O13	937.4982	NA	PeJP	NA	NA
+PJ089744	VVMMFRR 	C41H71N13O8S2	937.499	NA	PeJP	NA	NA
+PJ089745	GVQHRRW 	C41H63N17O9	937.4995	NA	PeJP	NA	NA
+PJ089746	SSTTKKMR 	C37H71N13O13S	937.5015	NA	PeJP	NA	NA
+PJ089747	STLLRYW 	C45H67N11O11	937.5022	NA	PeJP	NA	NA
+PJ089748	GCKRRRY 	C38H67N17O9S	937.5029	NA	PeJP	NA	NA
+MJ098177	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-L-arabinopyranosyl-(1?2)-?-L-arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C48H75NO17	937.503499	NA	MeJP	NA	NA
+MJ098178	Amphotericin B; 13-Me ether 	C48H75NO17	937.503499	NA	MeJP	NA	NA
+PJ089749	VLKEMRY 	C42H71N11O11S	937.5056	NA	PeJP	NA	NA
+MJ098179	Axinellin B 	C50H67N9O9	937.506174	NA	MeJP	NA	NA
+PJ089750	PVVKFYW 	C50H67N9O9	937.5062	NA	PeJP	NA	NA
+PJ089751	SSSSTTLKK 	C38H71N11O16	937.5081	NA	PeJP	NA	NA
+PJ089752	ATTKKKMM 	C39H75N11O11S2	937.5089	NA	PeJP	NA	NA
+PJ089753	STQKRRY 	C39H67N15O12	937.5094	NA	PeJP	NA	NA
+PJ089754	VVLKMYW 	C47H71N9O9S	937.5096	NA	PeJP	NA	NA
+PJ089755	QHRRRW 	C40H63N19O8	937.5107	NA	PeJP	NA	NA
+PJ089756	GAHRRRW 	C40H63N19O8	937.5108	NA	PeJP	NA	NA
+PJ089757	ATTLLKEY 	C43H71N9O14	937.5121	NA	PeJP	NA	NA
+PJ089758	GVLLKMMF 	C44H75N9O9S2	937.513	NA	PeJP	NA	NA
+PJ089759	GTKKRYW 	C44H67N13O10	937.5134	NA	PeJP	NA	NA
+PJ089760	SLLMRRY 	C41H71N13O10S	937.5168	NA	PeJP	NA	NA
+PJ089761	KKKYWW 	C49H67N11O8	937.5174	NA	PeJP	NA	NA
+PJ089762	ALLLHWW 	C49H67N11O8	937.5175	NA	PeJP	NA	NA
+PJ089763	PPQERRR 	C38H67N17O11	937.5206	NA	PeJP	NA	NA
+PJ089764	GAPPERRR 	C38H67N17O11	937.5207	NA	PeJP	NA	NA
+PJ089765	AKKKMFW 	C46H71N11O8S	937.5208	NA	PeJP	NA	NA
+PJ089766	SSSLLLRY 	C42H71N11O13	937.5233	NA	PeJP	NA	NA
+PJ089767	LLKMMFR 	C43H75N11O8S2	937.5242	NA	PeJP	NA	NA
+PJ089768	PPVQRRW 	C43H67N15O9	937.5247	NA	PeJP	NA	NA
+PJ089769	TTTTKKKM 	C39H75N11O13S	937.5267	NA	PeJP	NA	NA
+PJ089770	AAPLLKYY 	C47H71N9O11	937.5273	NA	PeJP	NA	NA
+PJ089771	APPLLLEW 	C47H71N9O11	937.5274	NA	PeJP	NA	NA
+PJ089772	GKKMRRY 	C40H71N15O9S	937.528	NA	PeJP	NA	NA
+PJ089773	GTLLLKMY 	C44H75N9O11S	937.5307	NA	PeJP	NA	NA
+PJ089774	GKEHRRR 	C37H67N19O10	937.5319	NA	PeJP	NA	NA
+PJ089775	SKKKERY 	C41H71N13O12	937.5345	NA	PeJP	NA	NA
+PJ089776	TDKKKRY 	C41H71N13O12	937.5346	NA	PeJP	NA	NA
+PJ089777	APPRRRW 	C42H67N17O8	937.5359	NA	PeJP	NA	NA
+PJ089778	SVKKKYW 	C46H71N11O10	937.5386	NA	PeJP	NA	NA
+PJ089779	LQKKKMY 	C43H75N11O10S	937.5419	NA	PeJP	NA	NA
+PJ089780	GALKKKMY 	C43H75N11O10S	937.542	NA	PeJP	NA	NA
+PJ089781	VVLKFFW 	C51H71N9O8	937.5426	NA	PeJP	NA	NA
+PJ089782	GTHRRRR 	C36H67N21O9	937.5431	NA	PeJP	NA	NA
+PJ089783	STKKRRY 	C40H71N15O11	937.5458	NA	PeJP	NA	NA
+PJ089784	KHRRRW 	C41H67N19O7	937.5471	NA	PeJP	NA	NA
+PJ089785	STTLLLKY 	C44H75N9O13	937.5485	NA	PeJP	NA	NA
+PJ089786	TLLLHRW 	C45H71N13O9	937.5498	NA	PeJP	NA	NA
+PJ089787	CLKKKRY 	C42H75N13O9S	937.5532	NA	PeJP	NA	NA
+PJ089788	PPKERRR 	C39H71N17O10	937.557	NA	PeJP	NA	NA
+PJ089789	GTTLKKKY 	C43H75N11O12	937.5597	NA	PeJP	NA	NA
+PJ089790	PPVKRRW 	C44H71N15O8	937.5611	NA	PeJP	NA	NA
+PJ089791	SPPLLLLW 	C48H75N9O10	937.5637	NA	PeJP	NA	NA
+PJ089792	LLLMHRR 	C41H75N15O8S	937.5644	NA	PeJP	NA	NA
+PJ089793	AAPPLLLLM 	C45H79N9O10S	937.5671	NA	PeJP	NA	NA
+PJ089794	PPTRRRR 	C38H71N19O9	937.5683	NA	PeJP	NA	NA
+PJ089795	SSLLLLHR 	C42H75N13O11	937.5709	NA	PeJP	NA	NA
+PJ089796	APPLKKER 	C42H75N13O11	937.571	NA	PeJP	NA	NA
+PJ089797	GPPLLKKW 	C47H75N11O9	937.575	NA	PeJP	NA	NA
+PJ089798	LKKKKMY 	C44H79N11O9S	937.5783	NA	PeJP	NA	NA
+PJ089799	APPTLKRR 	C41H75N15O10	937.5822	NA	PeJP	NA	NA
+PJ089800	PLLLLLQE 	C45H79N9O12	937.5849	NA	PeJP	NA	NA
+PJ089801	VLKKKHW 	C46H75N13O8	937.5862	NA	PeJP	NA	NA
+PJ089802	PLLQRRR 	C40H75N17O9	937.5934	NA	PeJP	NA	NA
+PJ089803	PVVLLLER 	C44H79N11O11	937.5961	NA	PeJP	NA	NA
+PJ089804	APLLLLLW 	C49H79N9O9	937.6001	NA	PeJP	NA	NA
+PJ089805	PVVRRRR 	C39H75N19O8	937.6047	NA	PeJP	NA	NA
+PJ089806	SPPLLKKR 	C43H79N13O10	937.6073	NA	PeJP	NA	NA
+PJ089807	LKKKKFF 	C48H79N11O8	937.6113	NA	PeJP	NA	NA
+PJ089808	GPVLLKRR 	C42H79N15O9	937.6186	NA	PeJP	NA	NA
+PJ089809	SPVVVVLLL 	C46H83N9O11	937.6212	NA	PeJP	NA	NA
+PJ089810	PLLLLLKE 	C46H83N9O11	937.6213	NA	PeJP	NA	NA
+PJ089811	PLLKRRR 	C41H79N17O8	937.6298	NA	PeJP	NA	NA
+PJ089812	PTLLLLLR 	C45H83N11O10	937.6325	NA	PeJP	NA	NA
+PJ089813	APLLLKKR 	C44H83N13O9	937.6437	NA	PeJP	NA	NA
+PJ089814	LLLLLLLQ 	C47H87N9O10	937.6576	NA	PeJP	NA	NA
+PJ089815	VVLLLLLR 	C46H87N11O9	937.6689	NA	PeJP	NA	NA
+PJ089816	LLLLLLLK 	C48H91N9O9	937.694	NA	PeJP	NA	NA
+MJ098180	Bastadin 1 	C34H30Br4N4O8	937.879714	NA	MeJP	NA	NA
+MJ098181	Bastadin 3 	C34H30Br4N4O8	937.879714	NA	MeJP	NA	NA
+C10224	Eugeniin	C41H30O26	938.1025	NA	KEGG	NA	NA
+MJ098182	1,6-Hexahydroxydiphenoylglucose, 2,3,4-Tris-(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098183	2,3-Hexahydroxydiphenoylglucose; (S)axial-D-Pyranose-form, 1,4,6-Tris(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098184	3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098185	3,6-Hexahydroxydiphenoylglucose; (R)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098186	3,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098187	3,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2,4-Tris-(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098188	4,6-Hexahydroxydiphenoylglucose; (S)axial-?-D-pyranose-form, 1,2,3-Tris-(3,4,5-trihydroxybenzoyl) 	C41H30O26	938.102531	NA	MeJP	NA	NA
+MJ098189	3'-Glucosyl-2',4',6'-trihydroxyacetophenone; 2'',3'',4'',6''-Tetrakis-O-(3,4,5-trihydroxybenzoyl) 	C42H34O25	938.138916	NA	MeJP	NA	NA
+PJ089817	GCCCCCCNM 	C29H50N10O11S7	938.1706	NA	PeJP	NA	NA
+PJ089818	SSCCCCCCQ 	C29H50N10O13S6	938.1883	NA	PeJP	NA	NA
+PJ089819	GGSTCCCCCC 	C29H50N10O13S6	938.1884	NA	PeJP	NA	NA
+PJ089820	CCCCDDDY 	C33H46N8O16S4	938.1915	NA	PeJP	NA	NA
+PJ089821	CCCCDMMM 	C31H54N8O11S7	938.1957	NA	PeJP	NA	NA
+MJ098190	Chestanin 	C40H42O26	938.196431	NA	MeJP	NA	NA
+MJ098191	Isochestanin 	C40H42O26	938.196431	NA	MeJP	NA	NA
+PJ089822	GSSSSCCCCC 	C29H50N10O15S5	938.2061	NA	PeJP	NA	NA
+PJ089823	ACCCCCCCK 	C30H54N10O10S7	938.207	NA	PeJP	NA	NA
+PJ089824	CCCCDDMF 	C34H50N8O13S5	938.2101	NA	PeJP	NA	NA
+PJ089825	CCCCCMHH 	C32H50N12O9S6	938.2148	NA	PeJP	NA	NA
+PJ089826	CCCDDDEH 	C32H46N10O17S3	938.2205	NA	PeJP	NA	NA
+PJ089827	CCCCCNQY 	C33H50N10O12S5	938.2214	NA	PeJP	NA	NA
+PJ089828	SSCCCCCCK 	C30H54N10O12S6	938.2247	NA	PeJP	NA	NA
+PJ089829	DDDDDDDD 	C32H42N8O25	938.2262	NA	PeJP	NA	NA
+PJ089830	SCCCDDMY 	C34H50N8O15S4	938.2279	NA	PeJP	NA	NA
+PJ089831	SCCCMMMM 	C32H58N8O10S7	938.2321	NA	PeJP	NA	NA
+PJ089832	GPCCCCCNH 	C32H50N12O11S5	938.2326	NA	PeJP	NA	NA
+PJ089833	GSSCCCCNY 	C33H50N10O14S4	938.2391	NA	PeJP	NA	NA
+PJ089834	GCCCEMMY 	C35H54N8O12S5	938.2465	NA	PeJP	NA	NA
+PJ089835	CCCNNDMH 	C32H50N12O13S4	938.2504	NA	PeJP	NA	NA
+PJ089836	CNNDDDDE 	C32H46N10O21S	938.256	NA	PeJP	NA	NA
+PJ089837	SCCDDEMH 	C33H50N10O16S3	938.2569	NA	PeJP	NA	NA
+MJ098192	Dibalanocarpol 	C56H42O14	938.257456	NA	MeJP	NA	NA
+PJ089838	CCCCCNKY 	C34H54N10O11S5	938.2577	NA	PeJP	NA	NA
+PJ089839	GGCCCCCKY 	C34H54N10O11S5	938.2578	NA	PeJP	NA	NA
+PJ089840	GCCCDEFY 	C38H50N8O14S3	938.2609	NA	PeJP	NA	NA
+PJ089841	CCCMMYW 	C39H54N8O9S5	938.2618	NA	PeJP	NA	NA
+PJ089842	SDDDDDEE 	C33H46N8O24	938.2625	NA	PeJP	NA	NA
+PJ089843	PCDDDDEM 	C34H50N8O19S2	938.2634	NA	PeJP	NA	NA
+PJ089844	SSCCDMMY 	C35H54N8O14S4	938.2643	NA	PeJP	NA	NA
+PJ089845	ACCCMMMF 	C36H58N8O9S6	938.2651	NA	PeJP	NA	NA
+PJ089846	GCCCCQHW 	C36H50N12O10S4	938.2656	NA	PeJP	NA	NA
+PJ089847	GSSCCCNEH 	C32H50N12O15S3	938.2681	NA	PeJP	NA	NA
+PJ089848	GCNDDDDW 	C36H46N10O18S	938.2713	NA	PeJP	NA	NA
+PJ089849	GCCCNNYY 	C37H50N10O13S3	938.2721	NA	PeJP	NA	NA
+PJ089850	GSSNDDDDD 	C32H46N10O23	938.2738	NA	PeJP	NA	NA
+PJ089851	GSPCCNDDE 	C33H50N10O18S2	938.2746	NA	PeJP	NA	NA
+PJ089852	GGGSPCCDDE 	C33H50N10O18S2	938.2747	NA	PeJP	NA	NA
+PJ089853	GCDDMMMH 	C34H54N10O13S4	938.2755	NA	PeJP	NA	NA
+PJ089854	CCCDFYW 	C42H50N8O11S3	938.2762	NA	PeJP	NA	NA
+PJ089855	PCCCCHHH 	C35H50N14O9S4	938.2769	NA	PeJP	NA	NA
+PJ089856	GSCCDEYY 	C38H50N8O16S2	938.2787	NA	PeJP	NA	NA
+PJ089857	GPCCCMYY 	C39H54N8O11S4	938.2795	NA	PeJP	NA	NA
+PJ089858	GDDDEEEM 	C34H50N8O21S	938.2812	NA	PeJP	NA	NA
+PJ089859	GTCCMMMY 	C36H58N8O11S5	938.2829	NA	PeJP	NA	NA
+PJ089860	SSCCCNHW 	C36H50N12O12S3	938.2834	NA	PeJP	NA	NA
+PJ089861	SSSSCCNDH 	C32H50N12O17S2	938.2859	NA	PeJP	NA	NA
+PJ089862	SCCNNMMH 	C33H54N12O12S4	938.2867	NA	PeJP	NA	NA
+PJ089863	GGGGSCCMMH 	C33H54N12O12S4	938.2868	NA	PeJP	NA	NA
+PJ089864	SPCCNDDW 	C37H50N10O15S2	938.2899	NA	PeJP	NA	NA
+PJ089865	CCEMMHW 	C38H54N10O10S4	938.2908	NA	PeJP	NA	NA
+PJ089866	SNNDDDEM 	C33H50N10O20S	938.2924	NA	PeJP	NA	NA
+PJ089867	SSCDEMMH 	C34H54N10O15S3	938.2933	NA	PeJP	NA	NA
+PJ089868	SCCDYYW 	C42H50N8O13S2	938.2939	NA	PeJP	NA	NA
+PJ089869	SPCCMMMH 	C35H58N10O10S5	938.2941	NA	PeJP	NA	NA
+PJ089870	GCCDMHHH 	C35H50N14O11S3	938.2946	NA	PeJP	NA	NA
+PJ089871	CCCMFFW 	C43H54N8O8S4	938.2948	NA	PeJP	NA	NA
+PJ089872	DDDEEMW 	C38H50N8O18S	938.2964	NA	PeJP	NA	NA
+PJ089873	GSCCNNNNN 	C31H50N14O16S2	938.2971	NA	PeJP	NA	NA
+PJ089874	CNDMMYY 	C39H54N8O13S3	938.2973	NA	PeJP	NA	NA
+PJ089875	SCCCCQHR 	C32H54N14O11S4	938.298	NA	PeJP	NA	NA
+PJ089876	SSDDEEEE 	C34H50N8O23	938.2989	NA	PeJP	NA	NA
+PJ089877	SPDDDEMM 	C35H54N8O18S2	938.2998	NA	PeJP	NA	NA
+PJ089878	GDDDDEHH 	C35H46N12O19	938.3003	NA	PeJP	NA	NA
+PJ089879	SSSCMMMY 	C36H58N8O13S4	938.3006	NA	PeJP	NA	NA
+MJ098193	Rubroside G; 2'-O-[5-Deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] 	C44H56Cl2N2O16	938.300689	NA	MeJP	NA	NA
+PJ089880	PPCDDMMM 	C36H58N8O13S4	938.3007	NA	PeJP	NA	NA
+PJ089881	GCCNNNEW 	C36H50N12O14S2	938.3011	NA	PeJP	NA	NA
+PJ089882	GGGGGGGCCEW 	C36H50N12O14S2	938.3012	NA	PeJP	NA	NA
+PJ089883	GCCCCKHW 	C37H54N12O9S4	938.302	NA	PeJP	NA	NA
+PJ089884	SCNDDDDR 	C32H50N12O19S	938.3036	NA	PeJP	NA	NA
+PJ089885	GGGGGGGSSCDE 	C32H50N12O19S	938.3037	NA	PeJP	NA	NA
+PJ089886	PCCCNDER 	C33H54N12O14S3	938.3045	NA	PeJP	NA	NA
+PJ089887	CCDEHFW 	C41H50N10O12S2	938.3052	NA	PeJP	NA	NA
+MJ098194	Purpureaside C; 3'''-Deoxy, 2,2',3',4'-tetra-Ac 	C43H54O23	938.305588	NA	MeJP	NA	NA
+PJ089888	ASCNDDEW 	C37H50N10O17S	938.3076	NA	PeJP	NA	NA
+PJ089889	GSNDDDMW 	C37H50N10O17S	938.3077	NA	PeJP	NA	NA
+PJ089890	GPCCNEMW 	C38H54N10O12S3	938.3085	NA	PeJP	NA	NA
+PJ089891	ASSSNDDDE 	C33H50N10O22	938.3101	NA	PeJP	NA	NA
+PJ089892	GSSSNDDEE 	C33H50N10O22	938.3102	NA	PeJP	NA	NA
+PJ089893	GNNDEEMM 	C34H54N10O17S2	938.311	NA	PeJP	NA	NA
+PJ089894	CNDDFYY 	C42H50N8O15S	938.3117	NA	PeJP	NA	NA
+PJ089895	GSDMMMMH 	C35H58N10O12S4	938.3119	NA	PeJP	NA	NA
+PJ089896	SSCCEHHH 	C35H50N14O13S2	938.3124	NA	PeJP	NA	NA
+PJ089897	ACCMYYW 	C43H54N8O10S3	938.3125	NA	PeJP	NA	NA
+PJ089898	GPDDDEEY 	C38H50N8O20	938.3142	NA	PeJP	NA	NA
+PJ089899	GSSCEMYY 	C39H54N8O15S2	938.315	NA	PeJP	NA	NA
+PJ089900	PPCDDDMF 	C39H54N8O15S2	938.3151	NA	PeJP	NA	NA
+PJ089901	DDDDHHW 	C39H46N12O16	938.3155	NA	PeJP	NA	NA
+PJ089902	GSSSCCCHR 	C32H54N14O13S3	938.3157	NA	PeJP	NA	NA
+PJ089903	CNMMMFY 	C40H58N8O10S4	938.3159	NA	PeJP	NA	NA
+PJ089904	CCNNNWW 	C40H50N12O11S2	938.3164	NA	PeJP	NA	NA
+PJ089905	ATCEEEEE 	C35H54N8O20S	938.3175	NA	PeJP	NA	NA
+PJ089906	GSEEEEEM 	C35H54N8O20S	938.3176	NA	PeJP	NA	NA
+PJ089907	GPDEEMMM 	C36H58N8O15S3	938.3184	NA	PeJP	NA	NA
+PJ089908	SSCNNNDW 	C36H50N12O16S	938.3189	NA	PeJP	NA	NA
+PJ089909	GPCCCDRW 	C37H54N12O11S3	938.3198	NA	PeJP	NA	NA
+PJ089910	SSSSNNNDD 	C32H50N12O21	938.3214	NA	PeJP	NA	NA
+PJ089911	SSSSSCNMH 	C33H54N12O16S2	938.3222	NA	PeJP	NA	NA
+PJ089912	GCNDDEMR 	C33H54N12O16S2	938.3223	NA	PeJP	NA	NA
+PJ089913	SCNDEWW 	C41H50N10O14S	938.3229	NA	PeJP	NA	NA
+PJ089914	GPPTCCCCR 	C34H58N12O11S4	938.3231	NA	PeJP	NA	NA
+PJ089915	PCCNMWW 	C42H54N10O9S3	938.3238	NA	PeJP	NA	NA
+PJ089916	SSSNDDEW 	C37H50N10O19	938.3254	NA	PeJP	NA	NA
+PJ089917	NNDEMMW 	C38H54N10O14S2	938.3263	NA	PeJP	NA	NA
+PJ089918	TCMMMHW 	C39H58N10O9S4	938.3271	NA	PeJP	NA	NA
+PJ089919	PPCCCCKW 	C39H58N10O9S4	938.3272	NA	PeJP	NA	NA
+PJ089920	SSNNEEEM 	C34H54N10O19S	938.3288	NA	PeJP	NA	NA
+PJ089921	PDDDEYW 	C42H50N8O17	938.3294	NA	PeJP	NA	NA
+PJ089922	SSSEMMMH 	C35H58N10O14S3	938.3296	NA	PeJP	NA	NA
+PJ089923	GGGGSPDMMM 	C35H58N10O14S3	938.3297	NA	PeJP	NA	NA
+PJ089924	GNNDDMHH 	C35H50N14O15S	938.3301	NA	PeJP	NA	NA
+PJ089925	SSCMYYW 	C43H54N8O12S2	938.3303	NA	PeJP	NA	NA
+PJ089926	QMMMMMH 	C36H62N10O9S5	938.3305	NA	PeJP	NA	NA
+PJ089927	GCCCNHFR 	C36H54N14O10S3	938.331	NA	PeJP	NA	NA
+MJ098195	Perdeacylemarginatine; 1-(2-Methyl-2-butenoyl), 6,8,9,14-tetra-Ac 	C46H54N2O19	938.332077	NA	MeJP	NA	NA
+PJ089928	SEEEEMW 	C39H54N8O17S	938.3328	NA	PeJP	NA	NA
+PJ089929	GCCDDDRR 	C32H54N14O15S2	938.3335	NA	PeJP	NA	NA
+PJ089930	PDEMMMW 	C40H58N8O12S3	938.3337	NA	PeJP	NA	NA
+PJ089931	SCCCCKHR 	C33H58N14O10S4	938.3344	NA	PeJP	NA	NA
+PJ089932	SSTEEEEE 	C35H54N8O22	938.3353	NA	PeJP	NA	NA
+C05773	Cobyrinate	C45H59CoN4O14	938.336	NA	KEGG	NA	NA
+C11545	Cobalt-precorrin 8	C45H59CoN4O14	938.336	NA	KEGG	NA	NA
+PJ089933	AAEEEEMM 	C36H58N8O17S2	938.3362	NA	PeJP	NA	NA
+PJ089934	GNNNNDEY 	C36H50N12O18	938.3366	NA	PeJP	NA	NA
+PJ089935	GGGGGNNDEY 	C36H50N12O18	938.3367	NA	PeJP	NA	NA
+PJ089936	SPPDMMMM 	C37H62N8O12S4	938.337	NA	PeJP	NA	NA
+PJ089937	CNDDMRW 	C37H54N12O13S2	938.3375	NA	PeJP	NA	NA
+PJ089938	GSCDWWW 	C45H50N10O11S	938.3382	NA	PeJP	NA	NA
+PJ089939	SSNDDDMR 	C33H54N12O18S	938.34	NA	PeJP	NA	NA
+PJ089940	GSSSDDWW 	C41H50N10O16	938.3407	NA	PeJP	NA	NA
+PJ089941	SPCCNEMR 	C34H58N12O13S3	938.3409	NA	PeJP	NA	NA
+PJ089942	SCNNNNHH 	C34H50N16O14S	938.3413	NA	PeJP	NA	NA
+PJ089943	GGSCNNNHH 	C34H50N16O14S	938.3414	NA	PeJP	NA	NA
+PJ089944	GNDMMWW 	C42H54N10O11S2	938.3415	NA	PeJP	NA	NA
+PJ089945	CMMMMHR 	C35H62N12O8S5	938.3418	NA	PeJP	NA	NA
+MJ098196	Buddlenol E; 5',5''-Dimethoxy, 4'-O-[?-D-apiofuranosyl-(1?2)-?-D-glucopyranoside] 	C44H58O22	938.341973	NA	MeJP	NA	NA
+PJ089946	GSSNEEMW 	C38H54N10O16S	938.344	NA	PeJP	NA	NA
+PJ089947	GGGGGPDEMY 	C38H54N10O16S	938.3441	NA	PeJP	NA	NA
+PJ089948	GSPCQMMW 	C39H58N10O11S3	938.3449	NA	PeJP	NA	NA
+PJ089949	CNNEHHW 	C39H50N14O12S	938.3454	NA	PeJP	NA	NA
+PJ089950	ACCFFYW 	C47H54N8O9S2	938.3455	NA	PeJP	NA	NA
+PJ089951	GSSSSQEEE 	C34H54N10O21	938.3465	NA	PeJP	NA	NA
+PJ089952	DEEEMMR 	C35H58N10O16S2	938.3474	NA	PeJP	NA	NA
+PJ089953	SSNNDEHH 	C35H50N14O17	938.3479	NA	PeJP	NA	NA
+PJ089954	GNEMYYY 	C43H54N8O14S	938.348	NA	PeJP	NA	NA
+PJ089955	PDDEMFW 	C43H54N8O14S	938.3481	NA	PeJP	NA	NA
+PJ089956	GTTMMMMH 	C36H62N10O11S4	938.3483	NA	PeJP	NA	NA
+PJ089957	GSCCNNRW 	C36H54N14O12S2	938.3487	NA	PeJP	NA	NA
+PJ089958	GGGSCCNRW 	C36H54N14O12S2	938.3488	NA	PeJP	NA	NA
+PJ089959	CNMMFFF 	C44H58N8O9S3	938.3489	NA	PeJP	NA	NA
+PJ089960	GSPEEEEY 	C39H54N8O19	938.3506	NA	PeJP	NA	NA
+PJ089961	GSSSCNNDR 	C32H54N14O17S	938.3512	NA	PeJP	NA	NA
+PJ089962	GGGSSSCNDR 	C32H54N14O17S	938.3513	NA	PeJP	NA	NA
+PJ089963	VDEEMMW 	C40H58N8O14S2	938.3514	NA	PeJP	NA	NA
+PJ089964	NNNNDYW 	C40H50N12O15	938.3519	NA	PeJP	NA	NA
+PJ089965	SPCCCDRR 	C33H58N14O12S3	938.3521	NA	PeJP	NA	NA
+PJ089966	GCCERWW 	C41H54N12O10S2	938.3528	NA	PeJP	NA	NA
+PJ089967	ATTEEEEM 	C36H58N8O19S	938.3539	NA	PeJP	NA	NA
+PJ089968	APTEEMMM 	C37H62N8O14S3	938.3548	NA	PeJP	NA	NA
+PJ089969	GSSCDERW 	C37H54N12O15S	938.3553	NA	PeJP	NA	NA
+PJ089970	APPMMMMM 	C38H66N8O9S5	938.3557	NA	PeJP	NA	NA
+PJ089971	GNDDFWW 	C45H50N10O13	938.3559	NA	PeJP	NA	NA
+PJ089972	GSPCCMRW 	C38H58N12O10S3	938.3561	NA	PeJP	NA	NA
+PJ089973	GGPPCCCFR 	C38H58N12O10S3	938.3562	NA	PeJP	NA	NA
+PJ089974	GPCDHHHH 	C38H50N16O11S	938.3566	NA	PeJP	NA	NA
+PJ089975	CQMWWW 	C46H54N10O8S2	938.3568	NA	PeJP	NA	NA
+PJ089976	SSSTTNNND 	C33H54N12O20	938.3577	NA	PeJP	NA	NA
+PJ089977	GSSSSDDER 	C33H54N12O20	938.3578	NA	PeJP	NA	NA
+PJ089978	GSNDEMMR 	C34H58N12O15S2	938.3586	NA	PeJP	NA	NA
+PJ089979	GGGSDEMMR 	C34H58N12O15S2	938.3587	NA	PeJP	NA	NA
+PJ089980	SSNEMWW 	C42H54N10O13S	938.3593	NA	PeJP	NA	NA
+PJ089981	GPCNMMMR 	C35H62N12O10S4	938.3595	NA	PeJP	NA	NA
+PJ089982	GMMMHFW 	C43H58N10O8S3	938.3602	NA	PeJP	NA	NA
+PJ089983	GCNHHWW 	C43H50N14O9S	938.3606	NA	PeJP	NA	NA
+PJ089984	SSSSQEEW 	C38H54N10O18	938.3618	NA	PeJP	NA	NA
+PJ089985	SQQEMMW 	C39H58N10O13S2	938.3627	NA	PeJP	NA	NA
+PJ089986	GSSNDHHW 	C39H50N14O14	938.3631	NA	PeJP	NA	NA
+PJ089987	NMYYYW 	C47H54N8O11S	938.3633	NA	PeJP	NA	NA
+PJ089988	GCCCNQRR 	C32H58N16O11S3	938.3634	NA	PeJP	NA	NA
+PJ089989	CQMHHHF 	C40H54N14O9S2	938.364	NA	PeJP	NA	NA
+PJ089990	SSNDKEEM 	C35H58N10O18S	938.3652	NA	PeJP	NA	NA
+PJ089991	SPEEEYW 	C43H54N8O16	938.3658	NA	PeJP	NA	NA
+PJ089992	STTTMMMH 	C36H62N10O13S3	938.366	NA	PeJP	NA	NA
+PJ089993	GGGGGLEMMM 	C36H62N10O13S3	938.3661	NA	PeJP	NA	NA
+PJ089994	GCNNNDFR 	C36H54N14O14S	938.3665	NA	PeJP	NA	NA
+PJ089995	PPDMMYW 	C44H58N8O11S2	938.3667	NA	PeJP	NA	NA
+PJ089996	KMMMMMH 	C37H66N10O8S5	938.3669	NA	PeJP	NA	NA
+PJ089997	CCRWWW 	C45H54N12O7S2	938.368	NA	PeJP	NA	NA
+PJ089998	SSSTTMYY 	C40H58N8O16S	938.3692	NA	PeJP	NA	NA
+PJ089999	GSCDDMRR 	C33H58N14O14S2	938.3699	NA	PeJP	NA	NA
+PJ090000	TCKMMYY 	C41H62N8O11S3	938.37	NA	PeJP	NA	NA
+PJ090001	PPPTCMMY 	C41H62N8O11S3	938.3701	NA	PeJP	NA	NA
+PJ090002	SSCDRWW 	C41H54N12O12S	938.3705	NA	PeJP	NA	NA
+PJ090003	GGGGGGGGMFW 	C41H54N12O12S	938.3706	NA	PeJP	NA	NA
+PJ090004	APCCCMRR 	C34H62N14O9S4	938.3708	NA	PeJP	NA	NA
+PJ090005	TTTTEEEE 	C36H58N8O21	938.3717	NA	PeJP	NA	NA
+PJ090006	GTLEEEMM 	C37H62N8O16S2	938.3726	NA	PeJP	NA	NA
+PJ090007	SSSSDDRW 	C37H54N12O17	938.373	NA	PeJP	NA	NA
+PJ090008	GGGGGGGGATEY 	C37H54N12O17	938.3731	NA	PeJP	NA	NA
+PJ090009	GPLEMMMM 	C38H66N8O11S4	938.3734	NA	PeJP	NA	NA
+PJ090010	SNDMMRW 	C38H58N12O12S2	938.3739	NA	PeJP	NA	NA
+PJ090011	NEEHHHH 	C38H50N16O13	938.3744	NA	PeJP	NA	NA
+PJ090012	GSSMWWW 	C46H54N10O10S	938.3745	NA	PeJP	NA	NA
+PJ090013	GGAPCYWW 	C46H54N10O10S	938.3746	NA	PeJP	NA	NA
+PJ090014	CCHHHFR 	C39H54N16O8S2	938.3752	NA	PeJP	NA	NA
+PJ090015	SSSNEEMR 	C34H58N12O17S	938.3764	NA	PeJP	NA	NA
+PJ090016	GSSSTEWW 	C42H54N10O15	938.377	NA	PeJP	NA	NA
+PJ090017	GGAQEEYW 	C42H54N10O15	938.3771	NA	PeJP	NA	NA
+PJ090018	NQEMMMR 	C35H62N12O12S3	938.3773	NA	PeJP	NA	NA
+PJ090019	GSCNEHHR 	C35H54N16O13S	938.3777	NA	PeJP	NA	NA
+PJ090020	GGGSCEHHR 	C35H54N16O13S	938.3778	NA	PeJP	NA	NA
+PJ090021	GTQMMWW 	C43H58N10O10S2	938.3779	NA	PeJP	NA	NA
+PJ090022	GSSDKEMW 	C39H58N10O15S	938.3804	NA	PeJP	NA	NA
+PJ090023	GSTYYYW 	C47H54N8O13	938.3811	NA	PeJP	NA	NA
+PJ090024	VNQMMMW 	C40H62N10O10S3	938.3813	NA	PeJP	NA	NA
+PJ090025	SNQMHHW 	C40H54N14O11S	938.3817	NA	PeJP	NA	NA
+PJ090026	GGSQMHHW 	C40H54N14O11S	938.3818	NA	PeJP	NA	NA
+PJ090027	GSSSSKEEE 	C35H58N10O20	938.3829	NA	PeJP	NA	NA
+PJ090028	GSQKEEMM 	C36H62N10O15S2	938.3838	NA	PeJP	NA	NA
+PJ090029	GSNNNDRY 	C36H54N14O16	938.3843	NA	PeJP	NA	NA
+PJ090030	PVDEMYW 	C44H58N8O13S	938.3844	NA	PeJP	NA	NA
+PJ090031	GPPDEMFF 	C44H58N8O13S	938.3845	NA	PeJP	NA	NA
+PJ090032	GPNKMMMM 	C37H66N10O10S4	938.3847	NA	PeJP	NA	NA
+PJ090033	SCCERRW 	C37H58N14O11S2	938.3851	NA	PeJP	NA	NA
+PJ090034	GGGGGVMMHH 	C37H58N14O11S2	938.3852	NA	PeJP	NA	NA
+PJ090035	PPMMMFW 	C45H62N8O8S3	938.3853	NA	PeJP	NA	NA
+PJ090036	GSNNHHHH 	C37H50N18O12	938.3856	NA	PeJP	NA	NA
+PJ090037	PPCNHWW 	C45H54N12O9S	938.3858	NA	PeJP	NA	NA
+PJ090038	LQEEEEY 	C40H58N8O18	938.3869	NA	PeJP	NA	NA
+PJ090039	GALEEEEY 	C40H58N8O18	938.387	NA	PeJP	NA	NA
+PJ090040	SSSCDERR 	C33H58N14O16S	938.3876	NA	PeJP	NA	NA
+PJ090041	TLEEMMW 	C41H62N8O13S2	938.3878	NA	PeJP	NA	NA
+PJ090042	GNDERYW 	C41H54N12O14	938.3883	NA	PeJP	NA	NA
+PJ090043	CNEMMRR 	C34H62N14O11S3	938.3885	NA	PeJP	NA	NA
+PJ090044	PLMMMMW 	C42H66N8O8S4	938.3887	NA	PeJP	NA	NA
+PJ090045	ASCMRWW 	C42H58N12O9S2	938.3891	NA	PeJP	NA	NA
+PJ090046	GTCMRWW 	C42H58N12O9S2	938.3892	NA	PeJP	NA	NA
+PJ090047	GEHHHHW 	C42H50N16O10	938.3896	NA	PeJP	NA	NA
+PJ090048	STTLEEEM 	C37H62N8O18S	938.3903	NA	PeJP	NA	NA
+PJ090049	GVLEEMMM 	C38H66N8O13S3	938.3912	NA	PeJP	NA	NA
+PJ090050	SSSCNQKW 	C38H58N12O14S	938.3916	NA	PeJP	NA	NA
+PJ090051	GSSSEMRW 	C38H58N12O14S	938.3917	NA	PeJP	NA	NA
+PJ090052	SSSTWWW 	C46H54N10O12	938.3923	NA	PeJP	NA	NA
+PJ090053	GQMMMRW 	C39H62N12O9S3	938.3925	NA	PeJP	NA	NA
+PJ090054	SCNHHRW 	C39H54N16O10S	938.393	NA	PeJP	NA	NA
+PJ090055	CKMWWW 	C47H58N10O7S2	938.3932	NA	PeJP	NA	NA
+MJ098197	Vineomycin A1; 2C,3C,2E,3E-Tetrahydro 	C49H62O18	938.393615	NA	MeJP	NA	NA
+PJ090056	ASSSSSEER 	C34H58N12O19	938.3941	NA	PeJP	NA	NA
+PJ090057	GSSSSTEER 	C34H58N12O19	938.3942	NA	PeJP	NA	NA
+PJ090058	GSTQEMMR 	C35H62N12O14S2	938.395	NA	PeJP	NA	NA
+PJ090059	SSSNDHHR 	C35H54N16O15	938.3955	NA	PeJP	NA	NA
+PJ090060	SSDKMWW 	C43H58N10O12S	938.3957	NA	PeJP	NA	NA
+PJ090061	APCCKMMR 	C36H66N12O9S4	938.3959	NA	PeJP	NA	NA
+PJ090062	NFFYYW 	C51H54N8O10	938.3963	NA	PeJP	NA	NA
+PJ090063	NNMMHHR 	C36H58N16O10S2	938.3964	NA	PeJP	NA	NA
+PJ090064	SSSSKEEW 	C39H58N10O17	938.3982	NA	PeJP	NA	NA
+PJ090065	SQKEMMW 	C40H62N10O12S2	938.399	NA	PeJP	NA	NA
+PJ090066	GGTKEMMW 	C40H62N10O12S2	938.3991	NA	PeJP	NA	NA
+PJ090067	PNDDHRW 	C40H54N14O13	938.3995	NA	PeJP	NA	NA
+PJ090068	PPDMFFW 	C48H58N8O10S	938.3997	NA	PeJP	NA	NA
+PJ090069	GGGCCCKRR 	C33H62N16O10S3	938.3998	NA	PeJP	NA	NA
+PJ090070	CKMHHHF 	C41H58N14O8S2	938.4004	NA	PeJP	NA	NA
+PJ090071	SSTQKEEM 	C36H62N10O17S	938.4015	NA	PeJP	NA	NA
+PJ090072	GGSTTKEEM 	C36H62N10O17S	938.4016	NA	PeJP	NA	NA
+PJ090073	ALEEEYW 	C44H58N8O15	938.4022	NA	PeJP	NA	NA
+PJ090074	LEEMMMR 	C37H66N10O12S3	938.4024	NA	PeJP	NA	NA
+PJ090075	NNNQMRY 	C37H58N14O13S	938.4029	NA	PeJP	NA	NA
+PJ090076	PVEMMFW 	C45H62N8O10S2	938.4031	NA	PeJP	NA	NA
+PJ090077	NDRYWW 	C45H54N12O11	938.4035	NA	PeJP	NA	NA
+PJ090078	GGAPEHWW 	C45H54N12O11	938.4036	NA	PeJP	NA	NA
+PJ090079	GCMMRRW 	C38H62N14O8S3	938.4038	NA	PeJP	NA	NA
+PJ090080	HHHHWW 	C46H50N16O7	938.4049	NA	PeJP	NA	NA
+PJ090081	SSSSSSNQR 	C33H58N14O18	938.4054	NA	PeJP	NA	NA
+PJ090082	GPTLEEMY 	C41H62N8O15S	938.4056	NA	PeJP	NA	NA
+PJ090083	GSSDMMRR 	C34H62N14O13S2	938.4063	NA	PeJP	NA	NA
+PJ090084	VLEMMMW 	C42H66N8O10S3	938.4064	NA	PeJP	NA	NA
+PJ090085	GNNNNNHR 	C34H54N18O14	938.4067	NA	PeJP	NA	NA
+PJ090086	GGGGGGGNNHR 	C34H54N18O14	938.4068	NA	PeJP	NA	NA
+PJ090087	SSSMRWW 	C42H58N12O11S	938.4069	NA	PeJP	NA	NA
+PJ090088	AQYWWW 	C50H54N10O9	938.4075	NA	PeJP	NA	NA
+PJ090089	GAAYWWW 	C50H54N10O9	938.4076	NA	PeJP	NA	NA
+PJ090090	SSLLEEMM 	C38H66N8O15S2	938.4089	NA	PeJP	NA	NA
+PJ090091	SSSSTERW 	C38H58N12O16	938.4094	NA	PeJP	NA	NA
+PJ090092	SPVLMMMM 	C39H70N8O10S4	938.4098	NA	PeJP	NA	NA
+PJ090093	STQMMRW 	C39H62N12O11S2	938.4103	NA	PeJP	NA	NA
+PJ090094	NNDHHFR 	C39H54N16O12	938.4108	NA	PeJP	NA	NA
+PJ090095	GPCKYWW 	C47H58N10O9S	938.4109	NA	PeJP	NA	NA
+PJ090096	SSSDKEMR 	C35H62N12O16S	938.4128	NA	PeJP	NA	NA
+PJ090097	SSSSSLWW 	C43H58N10O14	938.4134	NA	PeJP	NA	NA
+PJ090098	GGGGGPLDFY 	C43H58N10O14	938.4135	NA	PeJP	NA	NA
+PJ090099	NKEMMMR 	C36H66N12O11S3	938.4137	NA	PeJP	NA	NA
+PJ090100	CNNNRRY 	C36H58N16O12S	938.4141	NA	PeJP	NA	NA
+PJ090101	GGGGGGGPMHR 	C36H58N16O12S	938.4142	NA	PeJP	NA	NA
+PJ090102	GTKMMWW 	C44H62N10O9S2	938.4143	NA	PeJP	NA	NA
+PJ090103	GQQHHFW 	C44H54N14O10	938.4148	NA	PeJP	NA	NA
+PJ090104	GSTTKEMW 	C40H62N10O14S	938.4168	NA	PeJP	NA	NA
+PJ090105	GVQFYYY 	C48H58N8O12	938.4174	NA	PeJP	NA	NA
+PJ090106	PPVDYYW 	C48H58N8O12	938.4175	NA	PeJP	NA	NA
+PJ090107	VNKMMMW 	C41H66N10O9S3	938.4177	NA	PeJP	NA	NA
+PJ090108	SNKMHHW 	C41H58N14O10S	938.4181	NA	PeJP	NA	NA
+PJ090109	GCDFRRW 	C41H58N14O10S	938.4182	NA	PeJP	NA	NA
+PJ090110	PQHWWW 	C49H54N12O8	938.4188	NA	PeJP	NA	NA
+PJ090111	GSSTTTKEE 	C36H62N10O19	938.4193	NA	PeJP	NA	NA
+PJ090112	GSKKEEMM 	C37H66N10O14S2	938.4202	NA	PeJP	NA	NA
+PJ090113	SNDERRY 	C37H58N14O15	938.4206	NA	PeJP	NA	NA
+PJ090114	GGSDERRY 	C37H58N14O15	938.4207	NA	PeJP	NA	NA
+PJ090115	PTLEMYW 	C45H62N8O12S	938.4208	NA	PeJP	NA	NA
+PJ090116	APCKKMMM 	C38H70N10O9S4	938.4211	NA	PeJP	NA	NA
+PJ090117	STCMRRW 	C38H62N14O10S2	938.4215	NA	PeJP	NA	NA
+PJ090118	SEHHHHR 	C38H54N18O11	938.422	NA	PeJP	NA	NA
+PJ090119	NMFRWW 	C46H58N12O8S	938.4222	NA	PeJP	NA	NA
+PJ090120	LKEEEEY 	C41H62N8O17	938.4233	NA	PeJP	NA	NA
+PJ090121	SSSSEMRR 	C34H62N14O15S	938.424	NA	PeJP	NA	NA
+PJ090122	GPVLEMMY 	C42H66N8O12S2	938.4242	NA	PeJP	NA	NA
+PJ090123	GTQERYW 	C42H58N12O13	938.4247	NA	PeJP	NA	NA
+PJ090124	SQMMMRR 	C35H66N14O10S3	938.4249	NA	PeJP	NA	NA
+PJ090125	GSSCHHRR 	C35H58N18O11S	938.4254	NA	PeJP	NA	NA
+PJ090126	PCCKFRW 	C43H62N12O8S2	938.4255	NA	PeJP	NA	NA
+PJ090127	SVHHHHW 	C43H54N16O9	938.426	NA	PeJP	NA	NA
+PJ090128	ATLLEMMM 	C39H70N8O12S3	938.4276	NA	PeJP	NA	NA
+PJ090129	GSTTTMRW 	C39H62N12O13S	938.428	NA	PeJP	NA	NA
+PJ090130	GGGGLEMRY 	C39H62N12O13S	938.4281	NA	PeJP	NA	NA
+PJ090131	QKEYWW 	C47H58N10O11	938.4287	NA	PeJP	NA	NA
+PJ090132	GKMMMRW 	C40H66N12O8S3	938.4289	NA	PeJP	NA	NA
+PJ090133	LQMHHHH 	C40H58N16O9S	938.4294	NA	PeJP	NA	NA
+PJ090134	SSSSSSLER 	C35H62N12O18	938.4305	NA	PeJP	NA	NA
+PJ090135	GSTKEMMR 	C36H66N12O13S2	938.4314	NA	PeJP	NA	NA
+PJ090136	GSPDDHRR 	C36H58N16O14	938.4319	NA	PeJP	NA	NA
+PJ090137	STTKMWW 	C44H62N10O11S	938.432	NA	PeJP	NA	NA
+PJ090138	PTNKMYW 	C44H62N10O11S	938.4321	NA	PeJP	NA	NA
+PJ090139	GQFFFFF 	C52H58N8O9	938.4327	NA	PeJP	NA	NA
+PJ090140	APPCCHRR 	C37H62N16O9S2	938.4328	NA	PeJP	NA	NA
+PJ090141	TTTTTTQW 	C40H62N10O16	938.4345	NA	PeJP	NA	NA
+PJ090142	SSTTTKEW 	C40H62N10O16	938.4346	NA	PeJP	NA	NA
+PJ090143	SKKEMMW 	C41H66N10O11S2	938.4354	NA	PeJP	NA	NA
+PJ090144	GGGGGLLMMF 	C41H66N10O11S2	938.4355	NA	PeJP	NA	NA
+PJ090145	GSDRRYW 	C41H58N14O12	938.4359	NA	PeJP	NA	NA
+PJ090146	PPVMFYW 	C49H62N8O9S	938.4361	NA	PeJP	NA	NA
+PJ090147	SSTKKEEM 	C37H66N10O16S	938.4379	NA	PeJP	NA	NA
+PJ090148	SLLEEYW 	C45H62N8O14	938.4386	NA	PeJP	NA	NA
+PJ090149	AAKKEMMM 	C38H70N10O11S3	938.4388	NA	PeJP	NA	NA
+PJ090150	GQEMRRY 	C38H62N14O12S	938.4393	NA	PeJP	NA	NA
+PJ090151	PVLMMYW 	C46H66N8O9S2	938.4395	NA	PeJP	NA	NA
+PJ090152	TQRYWW 	C46H58N12O10	938.4399	NA	PeJP	NA	NA
+PJ090153	CLHHHHR 	C39H58N18O8S	938.4406	NA	PeJP	NA	NA
+PJ090154	SSSSSSNKR 	C34H62N14O17	938.4418	NA	PeJP	NA	NA
+PJ090155	PTTCLLEY 	C42H66N8O14S	938.4419	NA	PeJP	NA	NA
+PJ090156	AALLEEMY 	C42H66N8O14S	938.442	NA	PeJP	NA	NA
+PJ090157	GSTTMMRR 	C35H66N14O12S2	938.4426	NA	PeJP	NA	NA
+PJ090158	GGSTCCKKR 	C35H66N14O12S2	938.4427	NA	PeJP	NA	NA
+PJ090159	GPLLMMMF 	C43H70N8O9S3	938.4428	NA	PeJP	NA	NA
+PJ090160	NNNEHRR 	C35H58N18O13	938.4431	NA	PeJP	NA	NA
+PJ090161	GVQMRYW 	C43H62N12O10S	938.4433	NA	PeJP	NA	NA
+PJ090162	AKYWWW 	C51H58N10O8	938.4439	NA	PeJP	NA	NA
+PJ090163	GVHFFFW 	C51H58N10O8	938.444	NA	PeJP	NA	NA
+PJ090164	TTTLLEMM 	C39H70N8O14S2	938.4453	NA	PeJP	NA	NA
+PJ090165	SSTTTTRW 	C39H62N12O15	938.4458	NA	PeJP	NA	NA
+PJ090166	GLLLMMMM 	C40H74N8O9S4	938.4462	NA	PeJP	NA	NA
+PJ090167	STKMMRW 	C40H66N12O10S2	938.4467	NA	PeJP	NA	NA
+PJ090168	GQQQHRW 	C40H58N16O11	938.4471	NA	PeJP	NA	NA
+PJ090169	GGGAAQHRW 	C40H58N16O11	938.4472	NA	PeJP	NA	NA
+PJ090170	AAKMFWW 	C48H62N10O8S	938.4473	NA	PeJP	NA	NA
+PJ090171	SSTTKEMR 	C36H66N12O15S	938.4492	NA	PeJP	NA	NA
+PJ090172	GKKEEYW 	C44H62N10O13	938.4498	NA	PeJP	NA	NA
+PJ090173	DKKMMMR 	C37H70N12O10S3	938.45	NA	PeJP	NA	NA
+PJ090174	GGGCKKKMM 	C37H70N12O10S3	938.4501	NA	PeJP	NA	NA
+PJ090175	GCERRRY 	C37H62N16O11S	938.4505	NA	PeJP	NA	NA
+PJ090176	PCKKMFW 	C45H66N10O8S2	938.4507	NA	PeJP	NA	NA
+MJ098198	Spirosta-5,25(27)-diene-1,3,23-triol, 1-O-[2,3-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H70O19	938.45113	NA	MeJP	NA	NA
+PJ090177	GPTHRWW 	C45H58N14O9	938.4512	NA	PeJP	NA	NA
+PJ090178	SSSTLKMW 	C41H66N10O13S	938.4532	NA	PeJP	NA	NA
+PJ090179	PPTLYYW 	C49H62N8O11	938.4538	NA	PeJP	NA	NA
+PJ090180	GPPVEFFF 	C49H62N8O11	938.4539	NA	PeJP	NA	NA
+PJ090181	CLKKMMW 	C42H70N10O8S3	938.4541	NA	PeJP	NA	NA
+PJ090182	QMRRYW 	C42H62N14O9S	938.4545	NA	PeJP	NA	NA
+PJ090183	PKHWWW 	C50H58N12O7	938.4552	NA	PeJP	NA	NA
+PJ090184	SSSSTTLKE 	C37H66N10O18	938.4557	NA	PeJP	NA	NA
+PJ090185	VTTTQKMM 	C38H70N10O13S2	938.4565	NA	PeJP	NA	NA
+PJ090186	ATTKKEMM 	C38H70N10O13S2	938.4566	NA	PeJP	NA	NA
+PJ090187	STQERRY 	C38H62N14O14	938.457	NA	PeJP	NA	NA
+PJ090188	GGAALEEHR 	C38H62N14O14	938.4571	NA	PeJP	NA	NA
+PJ090189	VVLEMYW 	C46H66N8O11S	938.4572	NA	PeJP	NA	NA
+PJ090190	AQMMFRR 	C39H66N14O9S2	938.4579	NA	PeJP	NA	NA
+PJ090191	GNNHRRW 	C39H58N18O10	938.4584	NA	PeJP	NA	NA
+PJ090192	ATTLLEEY 	C42H66N8O16	938.4597	NA	PeJP	NA	NA
+PJ090193	SSTTTMRR 	C35H66N14O14S	938.4604	NA	PeJP	NA	NA
+PJ090194	APTLLMMY 	C43H70N8O11S2	938.4606	NA	PeJP	NA	NA
+PJ090195	ASKERYW 	C43H62N12O12	938.461	NA	PeJP	NA	NA
+PJ090196	GTKERYW 	C43H62N12O12	938.4611	NA	PeJP	NA	NA
+PJ090197	SKMMMRR 	C36H70N14O9S3	938.4613	NA	PeJP	NA	NA
+PJ090198	PCDHRRR 	C36H62N18O10S	938.4618	NA	PeJP	NA	NA
+PJ090199	PKHHHHF 	C44H58N16O8	938.4624	NA	PeJP	NA	NA
+PJ090200	VTTILMMM 	C40H74N8O11S3	938.4639	NA	PeJP	NA	NA
+PJ090201	STLLLMMM 	C40H74N8O11S3	938.464	NA	PeJP	NA	NA
+PJ090202	VNKEMRY 	C40H66N12O12S	938.4644	NA	PeJP	NA	NA
+PJ090203	GGGGAAPPPKM 	C40H66N12O12S	938.4645	NA	PeJP	NA	NA
+PJ090204	KKEYWW 	C48H62N10O10	938.4651	NA	PeJP	NA	NA
+PJ090205	CRRRYW 	C41H62N16O8S	938.4658	NA	PeJP	NA	NA
+PJ090206	SSSSTTTLR 	C36H66N12O17	938.4669	NA	PeJP	NA	NA
+PJ090207	SSSLKMMR 	C37H70N12O12S2	938.4678	NA	PeJP	NA	NA
+PJ090208	SSDRRRY 	C37H62N16O13	938.4683	NA	PeJP	NA	NA
+PJ090209	SPKKMYW 	C45H66N10O10S	938.4684	NA	PeJP	NA	NA
+PJ090210	GAALKMYW 	C45H66N10O10S	938.4685	NA	PeJP	NA	NA
+PJ090211	PPVFFFW 	C53H62N8O8	938.4691	NA	PeJP	NA	NA
+PJ090212	TTTTTTKW 	C41H66N10O15	938.4709	NA	PeJP	NA	NA
+PJ090213	GSVKKEEY 	C41H66N10O15	938.471	NA	PeJP	NA	NA
+PJ090214	AAPKKMMY 	C42H70N10O10S2	938.4718	NA	PeJP	NA	NA
+MJ098199	1,6,10,14-Phytatetraene-3,17-diol, 17-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside], 3-O-?-D-glucopyranoside 	C44H74O21	938.472259	NA	MeJP	NA	NA
+MJ098200	1-Dodecanol; O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C44H74O21	938.472259	NA	MeJP	NA	NA
+MJ098201	1-Dodecanol; O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C44H74O21	938.472259	NA	MeJP	NA	NA
+MJ098202	Mezzettiaside 7 	C44H74O21	938.472259	NA	MeJP	NA	NA
+PJ090215	GTTRRYW 	C42H62N14O11	938.4723	NA	PeJP	NA	NA
+PJ090216	PVLMFFW 	C50H66N8O8S	938.4725	NA	PeJP	NA	NA
+PJ090217	TTTTKKEM 	C38H70N10O15S	938.4743	NA	PeJP	NA	NA
+PJ090218	AAPLLEYY 	C46H66N8O13	938.475	NA	PeJP	NA	NA
+PJ090219	GTLKKMMM 	C39H74N10O10S3	938.4752	NA	PeJP	NA	NA
+PJ090220	CNQKKRY 	C39H66N14O11S	938.4756	NA	PeJP	NA	NA
+PJ090221	GKEMRRY 	C39H66N14O11S	938.4757	NA	PeJP	NA	NA
+PJ090222	VLLMMFW 	C47H70N8O8S2	938.4758	NA	PeJP	NA	NA
+PJ090223	TKRYWW 	C47H62N12O9	938.4763	NA	PeJP	NA	NA
+PJ090224	GTLLLEMY 	C43H70N8O13S	938.4783	NA	PeJP	NA	NA
+PJ090225	SSCCKKKR 	C36H70N14O11S2	938.479	NA	PeJP	NA	NA
+PJ090226	GEEHRRR 	C36H62N18O12	938.4795	NA	PeJP	NA	NA
+PJ090227	GVKMRYW 	C44H66N12O9S	938.4797	NA	PeJP	NA	NA
+PJ090228	SKKEERY 	C40H66N12O14	938.4822	NA	PeJP	NA	NA
+PJ090229	VQKMMFR 	C41H70N12O9S2	938.483	NA	PeJP	NA	NA
+PJ090230	LNKMMFR 	C41H70N12O9S2	938.4831	NA	PeJP	NA	NA
+PJ090231	GVEHRRW 	C41H62N16O10	938.4835	NA	PeJP	NA	NA
+PJ090232	TTTTTKMR 	C37H70N12O14S	938.4855	NA	PeJP	NA	NA
+PJ090233	GSSSSKKKM 	C37H70N12O14S	938.4856	NA	PeJP	NA	NA
+PJ090234	SVKKEYW 	C45H66N10O12	938.4862	NA	PeJP	NA	NA
+PJ090235	ACCKKKKM 	C38H74N12O9S3	938.4864	NA	PeJP	NA	NA
+PJ090236	GTMRRRY 	C38H66N16O10S	938.4869	NA	PeJP	NA	NA
+3465	angiogenin fragment:108-123	ENGLPVHLDQSIFRRP	938.48745	MH2+	Inhouse_peptide	NA	peptide
+PJ090237	QFFRRW 	C46H62N14O8	938.4875	NA	PeJP	NA	NA
+MJ098203	11,13(18)-Oleanadiene-3,23,28-triol; 3?-form, 28-Carboxylic acid, 23-aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O18	938.487515	NA	MeJP	NA	NA
+MJ098204	12-Oleanene-3,21,22,23,29-pentol, 3-O-?-D-Glucuronopyranoside, 21-O-[2,3,4-tri-O-acetyl-?-L-rhamnopyranoside] 	C48H74O18	938.487515	NA	MeJP	NA	NA
+MJ098205	3,21-Dioxo-9(11),12-oleanadien-28-oic acid; 3?-Alcohol, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O18	938.487515	NA	MeJP	NA	NA
+MJ098206	3,22,24-Trihydroxy-12-oleanen-28-oic acid, 22-O-(2,3-Dihydro-5-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl) ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H74O18	938.487515	NA	MeJP	NA	NA
+MJ098207	3,23-Dihydroxy-9(11),12-oleanadien-28-oic acid; 3?-form, 23-Aldehyde, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O18	938.487515	NA	MeJP	NA	NA
+MJ098208	Atratogenin A; 3-O-?-D-Glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside 	C48H74O18	938.487515	NA	MeJP	NA	NA
+PJ090238	AALHRWW 	C46H62N14O8	938.4876	NA	PeJP	NA	NA
+PJ090239	LQKKEMY 	C42H70N10O12S	938.4896	NA	PeJP	NA	NA
+PJ090240	PVVLYYW 	C50H66N8O10	938.4902	NA	PeJP	NA	NA
+PJ090241	SNNHRRR 	C35H62N20O11	938.4907	NA	PeJP	NA	NA
+PJ090242	GGGGSHRRR 	C35H62N20O11	938.4908	NA	PeJP	NA	NA
+PJ090243	KMRRYW 	C43H66N14O8S	938.4909	NA	PeJP	NA	NA
+PJ090244	SSTTTTTLK 	C38H70N10O17	938.4921	NA	PeJP	NA	NA
+HMDB09931	PIP(16:0/20:4(5Z,8Z,11Z,14Z))	C45H80O16P2	938.492188	NA	HMDB2010	NA	NA
+HMDB09932	PIP(16:0/20:4(8Z,11Z,14Z,17Z))	C45H80O16P2	938.492188	NA	HMDB2010	NA	NA
+HMDB09987	PIP(18:2(9Z,12Z)/18:2(9Z,12Z))	C45H80O16P2	938.492188	NA	HMDB2010	NA	NA
+HMDB10015	PIP(20:4(5Z,8Z,11Z,14Z)/16:0)	C45H80O16P2	938.492188	NA	HMDB2010	NA	NA
+HMDB10019	PIP(20:4(8Z,11Z,14Z,17Z)/16:0)	C45H80O16P2	938.492188	NA	HMDB2010	NA	NA
+PJ090245	STTLKKMM 	C39H74N10O12S2	938.4929	NA	PeJP	NA	NA
+PJ090246	STKERRY 	C39H66N14O13	938.4934	NA	PeJP	NA	NA
+PJ090247	GGGGGGGAPPKK 	C39H66N14O13	938.4935	NA	PeJP	NA	NA
+PJ090248	TLLLMYW 	C47H70N8O10S	938.4936	NA	PeJP	NA	NA
+PJ090249	AKMMFRR 	C40H70N14O8S2	938.4943	NA	PeJP	NA	NA
+PJ090250	EHRRRW 	C40H62N18O9	938.4948	NA	PeJP	NA	NA
+PJ090251	STTLLLEY 	C43H70N8O15	938.4961	NA	PeJP	NA	NA
+PJ090252	GVLLLMMY 	C44H74N8O10S2	938.497	NA	PeJP	NA	NA
+PJ090253	SSLKRYW 	C44H66N12O11	938.4974	NA	PeJP	NA	NA
+PJ090254	AAPPLERW 	C44H66N12O11	938.4975	NA	PeJP	NA	NA
+PJ090255	SPMHRRR 	C37H66N18O9S	938.4981	NA	PeJP	NA	NA
+PJ090256	VHRRWW 	C45H62N16O7	938.4988	NA	PeJP	NA	NA
+PJ090257	VDKKMRY 	C41H70N12O11S	938.5008	NA	PeJP	NA	NA
+PJ090258	PPLLQWW 	C49H66N10O9	938.5015	NA	PeJP	NA	NA
+PJ090259	SSSSSTKKK 	C37H70N12O16	938.5033	NA	PeJP	NA	NA
+PJ090260	SSCKKKKM 	C38H74N12O11S2	938.5042	NA	PeJP	NA	NA
+PJ090261	STTRRRY 	C38H66N16O12	938.5046	NA	PeJP	NA	NA
+PJ090262	PPEERRR 	C38H66N16O12	938.5047	NA	PeJP	NA	NA
+PJ090263	ALKKMYW 	C46H70N10O9S	938.5048	NA	PeJP	NA	NA
+PJ090264	GTTLKKEY 	C42H70N10O14	938.5073	NA	PeJP	NA	NA
+PJ090265	AAPPVVKEE 	C42H70N10O14	938.5074	NA	PeJP	NA	NA
+PJ090266	LLLMMRY 	C43H74N10O9S2	938.5082	NA	PeJP	NA	NA
+MJ098209	Calonyctin A1 	C45H78O20	938.508644	NA	MeJP	NA	NA
+MJ098210	Perdeacylorizabin; 2A-(2S-Methylbutanoyl) 	C45H78O20	938.508644	NA	MeJP	NA	NA
+PJ090267	PPVERRW 	C43H66N14O10	938.5087	NA	PeJP	NA	NA
+PJ090268	ASPIILYY 	C47H70N8O12	938.5113	NA	PeJP	NA	NA
+PJ090269	GPTLLLYY 	C47H70N8O12	938.5114	NA	PeJP	NA	NA
+PJ090270	SVKMRRY 	C40H70N14O10S	938.512	NA	PeJP	NA	NA
+PJ090271	GGCKKKRY 	C40H70N14O10S	938.5121	NA	PeJP	NA	NA
+PJ090272	PPVVRWW 	C48H66N12O8	938.5127	NA	PeJP	NA	NA
+PJ090273	SSLLLLMY 	C44H74N8O12S	938.5147	NA	PeJP	NA	NA
+PJ090274	SVEHRRR 	C37H66N18O11	938.5159	NA	PeJP	NA	NA
+PJ090275	PLKKMHW 	C45H70N12O8S	938.5161	NA	PeJP	NA	NA
+PJ090276	GTTTLKRY 	C41H70N12O13	938.5186	NA	PeJP	NA	NA
+PJ090277	VKKMMFR 	C42H74N12O8S2	938.5194	NA	PeJP	NA	NA
+PJ090278	ATLHRRW 	C42H66N16O9	938.5199	NA	PeJP	NA	NA
+PJ090279	TTLKKYW 	C46H70N10O11	938.5226	NA	PeJP	NA	NA
+PJ090280	VLQMHRR 	C39H70N16O9S	938.5233	NA	PeJP	NA	NA
+PJ090281	KFFRRW 	C47H66N14O7	938.5239	NA	PeJP	NA	NA
+MJ098211	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl (1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C49H78O17	938.523901	NA	MeJP	NA	NA
+MJ098212	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(3-Methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C49H78O17	938.523901	NA	MeJP	NA	NA
+PJ090282	LKKKEMY 	C43H74N10O11S	938.526	NA	PeJP	NA	NA
+PJ090283	VVLLFYW 	C51H70N8O9	938.5266	NA	PeJP	NA	NA
+PJ090284	APPTLERR 	C40H70N14O12	938.5298	NA	PeJP	NA	NA
+2965	maculatin 2,1, from Litoria genimaculata	GFVDFLKKVAGTIANVVT~	938.5299	MH2+	Inhouse_peptide	NA	peptide
+PJ090285	GVLLLMFF 	C48H74N8O9S	938.53	NA	PeJP	NA	NA
+PJ090286	APHFRRR 	C41H66N18O8	938.5312	NA	PeJP	NA	NA
+PJ090287	GPPTLLRW 	C45H70N12O10	938.5338	NA	PeJP	NA	NA
+PJ090288	ALMHRRR 	C38H70N18O8S	938.5345	NA	PeJP	NA	NA
+PJ090289	TLKKMRY 	C42H74N12O10S	938.5372	NA	PeJP	NA	NA
+PJ090290	ALKKFFW 	C50H70N10O8	938.5378	NA	PeJP	NA	NA
+PJ090291	PPLLKWW 	C50H70N10O8	938.5379	NA	PeJP	NA	NA
+PJ090292	TLKEHRR 	C39H70N16O11	938.541	NA	PeJP	NA	NA
+PJ090293	GGAPPTKRR 	C39H70N16O11	938.5411	NA	PeJP	NA	NA
+PJ090294	LLLMFFR 	C47H74N10O8S	938.5412	NA	PeJP	NA	NA
+PJ090295	SSTLLKKY 	C43H74N10O13	938.5437	NA	PeJP	NA	NA
+PJ090296	SLLKHRW 	C44H70N14O9	938.5451	NA	PeJP	NA	NA
+PJ090297	AALLLLYY 	C48H74N8O11	938.5477	NA	PeJP	NA	NA
+PJ090298	GPPLLMRR 	C41H74N14O9S	938.5484	NA	PeJP	NA	NA
+PJ090299	TTLHRRR 	C38H70N18O10	938.5523	NA	PeJP	NA	NA
+PJ090300	GSTKKKKY 	C42H74N12O12	938.555	NA	PeJP	NA	NA
+PJ090301	GKKKHRW 	C43H70N16O8	938.5563	NA	PeJP	NA	NA
+PJ090302	SPPVLLKW 	C47H74N10O10	938.559	NA	PeJP	NA	NA
+PJ090303	VLKMHRR 	C40H74N16O8S	938.5597	NA	PeJP	NA	NA
+PJ090304	SLLLLLMH 	C44H78N10O10S	938.5624	NA	PeJP	NA	NA
+PJ090305	APQRRRR 	C37H70N20O9	938.5635	NA	PeJP	NA	NA
+PJ090306	GPVLLERR 	C41H74N14O11	938.5662	NA	PeJP	NA	NA
+PJ090307	PLLLLLEE 	C45H78N8O13	938.5689	NA	PeJP	NA	NA
+PJ090308	AAPLLLRW 	C46H74N12O9	938.5702	NA	PeJP	NA	NA
+PJ090309	PPVVLKMR 	C43H78N12O9S	938.5736	NA	PeJP	NA	NA
+PJ090310	PLLERRR 	C40H74N16O10	938.5774	NA	PeJP	NA	NA
+PJ090311	PVLLLQKE 	C44H78N10O12	938.5801	NA	PeJP	NA	NA
+PJ090312	PPKKKRW 	C45H74N14O8	938.5814	NA	PeJP	NA	NA
+PJ090313	PVLLRRW 	C45H74N14O8	938.5815	NA	PeJP	NA	NA
+PJ090314	PVQKRRR 	C39H74N18O9	938.5887	NA	PeJP	NA	NA
+PJ090315	APLLLKER 	C43H78N12O11	938.5913	NA	PeJP	NA	NA
+PJ090316	PVVVLKER 	C43H78N12O11	938.5914	NA	PeJP	NA	NA
+PJ090317	GPLLLLKW 	C48H78N10O9	938.5954	NA	PeJP	NA	NA
+PJ090318	PPLLLKKM 	C45H82N10O9S	938.5987	NA	PeJP	NA	NA
+PJ090319	APKRRRR 	C38H74N20O8	938.5999	NA	PeJP	NA	NA
+PJ090320	APTLLLRR 	C42H78N14O10	938.6026	NA	PeJP	NA	NA
+PJ090321	AAPLKKRR 	C41H78N16O9	938.6138	NA	PeJP	NA	NA
+PJ090322	PVLLLKKE 	C45H82N10O11	938.6165	NA	PeJP	NA	NA
+PJ090323	PVKKRRR 	C40H78N18O8	938.6251	NA	PeJP	NA	NA
+PJ090324	SPLLLLKR 	C44H82N12O10	938.6277	NA	PeJP	NA	NA
+PJ090325	GVLLLLRR 	C43H82N14O9	938.639	NA	PeJP	NA	NA
+PJ090326	LLLLLLLE 	C47H86N8O11	938.6417	NA	PeJP	NA	NA
+PJ090327	LLLLRRR 	C42H82N16O8	938.6502	NA	PeJP	NA	NA
+PJ090328	VLLLLLQK 	C46H86N10O10	938.6529	NA	PeJP	NA	NA
+PJ090329	ALLLLLKR 	C45H86N12O9	938.6641	NA	PeJP	NA	NA
+PJ090330	VLLLLLKK 	C47H90N10O9	938.6893	NA	PeJP	NA	NA
+C15955	Thermocryptoxanthin-15	C61H94O7	938.7	NA	KEGG	NA	NA
+HMDB05401	TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H110O6	938.83026	http://www.hmdb.ca/metabolites/HMDB05401	HMDB	NA	NA
+HMDB05470	TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]	C61H110O6	938.83026	http://www.hmdb.ca/metabolites/HMDB05470	HMDB	NA	NA
+HMDB05401	TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H110O6	938.83026	HMDB05401	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05470	TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]	C61H110O6	938.83026	HMDB05470	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05401	TG(18:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]	C61H110O6	938.830261	NA	HMDB2010	NA	NA
+HMDB05470	TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))[iso3]	C61H110O6	938.830261	NA	HMDB2010	NA	NA
+MJ098213	2,4-Dichlorobenzoyl-CoA 	C28H38Cl2N7O17P3S	939.063478	NA	MeJP	NA	NA
+MetaCyc04332	2,4-dichlorobenzoyl-CoA []	C28H38N7O17P3S1CL2	939.063478	NA	metacyc	NA	NA
+C06671	2,4-Dichlorobenzoyl-CoA	C28H38Cl2N7O17P3S	939.0635	NA	KEGG	NA	NA
+PJ090331	PCCCCCCCC 	C29H49N9O10S8	939.1369	NA	PeJP	NA	NA
+PJ090332	GCCCCCCDM 	C29H49N9O12S7	939.1546	NA	PeJP	NA	NA
+PJ090333	SSCCCCCCE 	C29H49N9O14S6	939.1724	NA	PeJP	NA	NA
+PJ090334	GSCCCCCMM 	C30H53N9O11S7	939.191	NA	PeJP	NA	NA
+PJ090335	CCCCCNEY 	C33H49N9O13S5	939.2054	NA	PeJP	NA	NA
+PJ090336	SSTCCCCCM 	C30H53N9O13S6	939.2087	NA	PeJP	NA	NA
+PJ090337	GPCCCCCDH 	C32H49N11O12S5	939.2166	NA	PeJP	NA	NA
+PJ090338	GCCCCCYW 	C37H49N9O10S5	939.2206	NA	PeJP	NA	NA
+PJ090339	GSSCCCCDY 	C33H49N9O15S4	939.2231	NA	PeJP	NA	NA
+PJ090340	CCCCCQMF 	C34H53N9O10S6	939.224	NA	PeJP	NA	NA
+PJ090341	CCCNDDMH 	C32H49N11O14S4	939.2344	NA	PeJP	NA	NA
+PJ090342	CCCCCCFR 	C33H53N11O9S6	939.2352	NA	PeJP	NA	NA
+PJ090343	CNDDDDDE 	C32H45N9O22S	939.24	NA	PeJP	NA	NA
+PJ090344	SCCCCQMY 	C34H53N9O12S5	939.2418	NA	PeJP	NA	NA
+PJ090345	GSCCCCNNH 	C31H49N13O13S4	939.2456	NA	PeJP	NA	NA
+PJ090346	GCCCCEHW 	C36H49N11O11S4	939.2496	NA	PeJP	NA	NA
+PJ090347	GSSCCCDEH 	C32H49N11O16S3	939.2521	NA	PeJP	NA	NA
+PJ090348	GGGGGPCCCDD 	C32H49N11O16S3	939.2522	NA	PeJP	NA	NA
+PJ090349	SCCCCCRY 	C33H53N11O11S5	939.253	NA	PeJP	NA	NA
+PJ090350	GCDDDDDW 	C36H45N9O19S	939.2553	NA	PeJP	NA	NA
+PJ090351	GCCCNDYY 	C37H49N9O14S3	939.2561	NA	PeJP	NA	NA
+PJ090352	GGGCCCDYY 	C37H49N9O14S3	939.2562	NA	PeJP	NA	NA
+PJ090353	GSSDDDDDD 	C32H45N9O24	939.2578	NA	PeJP	NA	NA
+PJ090354	GSPCCDDDE 	C33H49N9O19S2	939.2587	NA	PeJP	NA	NA
+PJ090355	GSSSCCCMY 	C34H53N9O14S4	939.2595	NA	PeJP	NA	NA
+PJ090356	CCCCCKMF 	C35H57N9O9S6	939.2604	NA	PeJP	NA	NA
+PJ090357	CCCCHWW 	C40H49N11O8S4	939.2649	NA	PeJP	NA	NA
+PJ090358	SSCCCDHW 	C36H49N11O13S3	939.2674	NA	PeJP	NA	NA
+PJ090359	SSSSCCDDH 	C32H49N11O18S2	939.2699	NA	PeJP	NA	NA
+PJ090360	SCCNDMMH 	C33H53N11O13S4	939.2708	NA	PeJP	NA	NA
+PJ090361	SPCCDDDW 	C37H49N9O16S2	939.2739	NA	PeJP	NA	NA
+PJ090362	PPCCCCEW 	C38H53N9O11S4	939.2748	NA	PeJP	NA	NA
+PJ090363	SNDDDDEM 	C33H49N9O21S	939.2764	NA	PeJP	NA	NA
+PJ090364	SSSSTCCCY 	C34H53N9O16S3	939.2773	NA	PeJP	NA	NA
+PJ090365	SCCCCKMY 	C35H57N9O11S5	939.2781	NA	PeJP	NA	NA
+PJ090366	SPPPCCCCM 	C35H57N9O11S5	939.2782	NA	PeJP	NA	NA
+PJ090367	GSCCNNNND 	C31H49N13O17S2	939.2811	NA	PeJP	NA	NA
+PJ090368	GGGGGGGGGSCCD 	C31H49N13O17S2	939.2812	NA	PeJP	NA	NA
+PJ090369	CDDMMYY 	C39H53N7O14S3	939.2813	NA	PeJP	NA	NA
+PJ090370	SCCCCEHR 	C32H53N13O12S4	939.282	NA	PeJP	NA	NA
+MJ098214	Cochinmicin I; 2-Epimer, 17-hydroxy, 5''-chloro 	C46H46ClN7O13	939.284212	NA	MeJP	NA	NA
+PJ090371	GCCNNDEW 	C36H49N11O15S2	939.2851	NA	PeJP	NA	NA
+PJ090372	GGGCCNDEW 	C36H49N11O15S2	939.2852	NA	PeJP	NA	NA
+PJ090373	CMMMMMY 	C37H61N7O9S6	939.2855	NA	PeJP	NA	NA
+PJ090374	GTCCCMHW 	C37H53N11O10S4	939.286	NA	PeJP	NA	NA
+PJ090375	GSSCNNDDE 	C32H49N11O20S	939.2876	NA	PeJP	NA	NA
+PJ090376	SCDDDDDR 	C32H49N11O20S	939.2877	NA	PeJP	NA	NA
+PJ090377	PCCCDDER 	C33H53N11O15S3	939.2885	NA	PeJP	NA	NA
+PJ090378	GCCQMMMH 	C34H57N11O10S5	939.2894	NA	PeJP	NA	NA
+PJ090379	SCCCNHHH 	C34H49N15O11S3	939.2899	NA	PeJP	NA	NA
+PJ090380	GSDDDDMW 	C37H49N9O18S	939.2917	NA	PeJP	NA	NA
+PJ090381	GPCCDEMW 	C38H53N9O13S3	939.2925	NA	PeJP	NA	NA
+PJ090382	GSSSDDDEE 	C33H49N9O23	939.2942	NA	PeJP	NA	NA
+PJ090383	GNDDEEMM 	C34H53N9O18S2	939.295	NA	PeJP	NA	NA
+PJ090384	GGGDDEEMM 	C34H53N9O18S2	939.2951	NA	PeJP	NA	NA
+PJ090385	CDDDFYY 	C42H49N7O16S	939.2957	NA	PeJP	NA	NA
+PJ090386	GSPPCCDMM 	C35H57N9O13S4	939.2959	NA	PeJP	NA	NA
+PJ090387	PCCNDDHH 	C35H49N13O14S2	939.2964	NA	PeJP	NA	NA
+PJ090388	CCNNNNQM 	C32H53N13O14S3	939.2997	NA	PeJP	NA	NA
+PJ090389	GGGGCCNNQM 	C32H53N13O14S3	939.2998	NA	PeJP	NA	NA
+PJ090390	CDMMMFY 	C40H57N7O11S4	939.2999	NA	PeJP	NA	NA
+PJ090391	CCNNDWW 	C40H49N11O12S2	939.3004	NA	PeJP	NA	NA
+PJ090392	GCCCMMHR 	C33H57N13O9S5	939.3006	NA	PeJP	NA	NA
+PJ090393	SSCNNDDW 	C36H49N11O17S	939.3029	NA	PeJP	NA	NA
+PJ090394	SSSCCMHW 	C37H53N11O12S3	939.3038	NA	PeJP	NA	NA
+PJ090395	SSSSNNDDD 	C32H49N11O22	939.3054	NA	PeJP	NA	NA
+PJ090396	GCDDDEMR 	C33H53N11O17S2	939.3063	NA	PeJP	NA	NA
+PJ090397	SCDDEWW 	C41H49N9O15S	939.3069	NA	PeJP	NA	NA
+PJ090398	SSCNMMMH 	C34H57N11O12S4	939.3071	NA	PeJP	NA	NA
+PJ090399	GGGGPCCQMM 	C34H57N11O12S4	939.3072	NA	PeJP	NA	NA
+PJ090400	PCCDMWW 	C42H53N9O10S3	939.3078	NA	PeJP	NA	NA
+PJ090401	SSSDDDEW 	C37H49N9O20	939.3094	NA	PeJP	NA	NA
+PJ090402	NDDEMMW 	C38H53N9O15S2	939.3103	NA	PeJP	NA	NA
+PJ090403	CCCNNNNR 	C31H53N15O13S3	939.311	NA	PeJP	NA	NA
+PJ090404	PPTCCCMW 	C39H57N9O10S4	939.3112	NA	PeJP	NA	NA
+PJ090405	SSNDEEEM 	C34H53N9O20S	939.3128	NA	PeJP	NA	NA
+PJ090406	SDDDYYY 	C42H49N7O18	939.3134	NA	PeJP	NA	NA
+PJ090407	SPNDDMMM 	C35H57N9O15S3	939.3137	NA	PeJP	NA	NA
+PJ090408	GNDDDMHH 	C35H49N13O16S	939.3141	NA	PeJP	NA	NA
+PJ090409	GGGDDDMHH 	C35H49N13O16S	939.3142	NA	PeJP	NA	NA
+PJ090410	PCCEYYY 	C43H53N7O13S2	939.3143	NA	PeJP	NA	NA
+PJ090411	EMMMMMH 	C36H61N9O10S5	939.3145	NA	PeJP	NA	NA
+PJ090412	GCCCDHFR 	C36H53N13O11S3	939.315	NA	PeJP	NA	NA
+PJ090413	SCCNNDER 	C32H53N13O16S2	939.3175	NA	PeJP	NA	NA
+PJ090414	SDMMMYY 	C40H57N7O13S3	939.3177	NA	PeJP	NA	NA
+PJ090415	STCCCMHR 	C33H57N13O11S4	939.3184	NA	PeJP	NA	NA
+PJ090416	CMMMMFF 	C41H61N7O8S5	939.3186	NA	PeJP	NA	NA
+PJ090417	CCNMHFW 	C41H53N11O9S3	939.319	NA	PeJP	NA	NA
+PJ090418	GNNNDDEY 	C36H49N11O19	939.3207	NA	PeJP	NA	NA
+PJ090419	CDDDMRW 	C37H53N11O14S2	939.3215	NA	PeJP	NA	NA
+PJ090420	GGGGGGPCCEF 	C37H53N11O14S2	939.3216	NA	PeJP	NA	NA
+PJ090421	PCCCCKHF 	C38H57N11O9S4	939.3224	NA	PeJP	NA	NA
+PJ090422	SSDDDDMR 	C33H53N11O19S	939.324	NA	PeJP	NA	NA
+PJ090423	NDDDEFW 	C41H49N9O17	939.3247	NA	PeJP	NA	NA
+PJ090424	SPCCDEMR 	C34H57N11O14S3	939.3249	NA	PeJP	NA	NA
+PJ090425	SCNNNDHH 	C34H49N15O15S	939.3254	NA	PeJP	NA	NA
+PJ090426	VCCDEWW 	C42H53N9O12S2	939.3255	NA	PeJP	NA	NA
+PJ090427	GDDMMWW 	C42H53N9O12S2	939.3256	NA	PeJP	NA	NA
+PJ090428	PPCCCMMR 	C35H61N11O9S5	939.3258	NA	PeJP	NA	NA
+PJ090429	SSVCDDEW 	C38H53N9O17S	939.328	NA	PeJP	NA	NA
+PJ090430	GSSDEEMW 	C38H53N9O17S	939.3281	NA	PeJP	NA	NA
+PJ090431	GSPCEMMW 	C39H57N9O12S3	939.3289	NA	PeJP	NA	NA
+PJ090432	CNDEHHW 	C39H49N13O13S	939.3294	NA	PeJP	NA	NA
+PJ090433	ASSSSDEEE 	C34H53N9O22	939.3305	NA	PeJP	NA	NA
+PJ090434	GSSSSEEEE 	C34H53N9O22	939.3306	NA	PeJP	NA	NA
+PJ090435	GSQEEEMM 	C35H57N9O17S2	939.3314	NA	PeJP	NA	NA
+PJ090436	SSNDDEHH 	C35H49N13O18	939.3319	NA	PeJP	NA	NA
+PJ090437	GDEMYYY 	C43H53N7O15S	939.3321	NA	PeJP	NA	NA
+PJ090438	GPNEMMMM 	C36H61N9O12S4	939.3323	NA	PeJP	NA	NA
+PJ090439	GSCCNDRW 	C36H53N13O13S2	939.3328	NA	PeJP	NA	NA
+PJ090440	CDMMFFF 	C44H57N7O10S3	939.3329	NA	PeJP	NA	NA
+PJ090441	EEEEEEF 	C39H53N7O20	939.3346	NA	PeJP	NA	NA
+PJ090442	SSSSCNNNQ 	C32H53N13O18S	939.3352	NA	PeJP	NA	NA
+PJ090443	GSSSCNDDR 	C32H53N13O18S	939.3353	NA	PeJP	NA	NA
+PJ090444	NNNDDYW 	C40H49N11O16	939.3359	NA	PeJP	NA	NA
+PJ090445	GCNNDMMR 	C33H57N13O13S3	939.3361	NA	PeJP	NA	NA
+PJ090446	GGGGGCDMMR 	C33H57N13O13S3	939.3362	NA	PeJP	NA	NA
+PJ090447	AMMMMYY 	C41H61N7O10S4	939.3363	NA	PeJP	NA	NA
+PJ090448	SCNNMWW 	C41H53N11O11S2	939.3368	NA	PeJP	NA	NA
+PJ090449	SSSNNDMW 	C37H53N11O16S	939.3393	NA	PeJP	NA	NA
+PJ090450	GDDDFWW 	C45H49N9O14	939.3399	NA	PeJP	NA	NA
+PJ090451	NNNMMMW 	C38H57N11O11S3	939.3401	NA	PeJP	NA	NA
+PJ090452	GGNNMMMW 	C38H57N11O11S3	939.3402	NA	PeJP	NA	NA
+PJ090453	CEMWWW 	C46H53N9O9S2	939.3408	NA	PeJP	NA	NA
+PJ090454	SSSSSNNEE 	C33H53N11O21	939.3418	NA	PeJP	NA	NA
+PJ090455	SSSSSSMMH 	C34H57N11O16S2	939.3426	NA	PeJP	NA	NA
+PJ090456	GSDDEMMR 	C34H57N11O16S2	939.3427	NA	PeJP	NA	NA
+PJ090457	SSDEMWW 	C42H53N9O14S	939.3433	NA	PeJP	NA	NA
+PJ090458	GPCDMMMR 	C35H61N11O11S4	939.3435	NA	PeJP	NA	NA
+PJ090459	GCNNQMHH 	C35H53N15O12S2	939.344	NA	PeJP	NA	NA
+PJ090460	SPCMMWW 	C43H57N9O9S3	939.3442	NA	PeJP	NA	NA
+PJ090461	GCDHHWW 	C43H49N13O10S	939.3447	NA	PeJP	NA	NA
+PJ090462	SSSSEEEW 	C38H53N9O19	939.3458	NA	PeJP	NA	NA
+PJ090463	SQEEMMW 	C39H57N9O14S2	939.3467	NA	PeJP	NA	NA
+PJ090464	GSSDDHHW 	C39H49N13O15	939.3472	NA	PeJP	NA	NA
+PJ090465	DMYYYW 	C47H53N7O12S	939.3473	NA	PeJP	NA	NA
+PJ090466	GCCCNERR 	C32H57N15O12S3	939.3474	NA	PeJP	NA	NA
+PJ090467	PNMMMMW 	C40H61N9O9S4	939.3475	NA	PeJP	NA	NA
+PJ090468	GGPMMMMW 	C40H61N9O9S4	939.3476	NA	PeJP	NA	NA
+PJ090469	GPTCCHHW 	C40H53N13O10S2	939.348	NA	PeJP	NA	NA
+PJ090470	SSTQEEEM 	C35H57N9O19S	939.3492	NA	PeJP	NA	NA
+PJ090471	SSEEYYY 	C43H53N7O17	939.3498	NA	PeJP	NA	NA
+PJ090472	SSPQEMMM 	C36H61N9O14S3	939.35	NA	PeJP	NA	NA
+PJ090473	AAQEEMMM 	C36H61N9O14S3	939.3501	NA	PeJP	NA	NA
+PJ090474	GNNNNNMY 	C36H53N13O15S	939.3505	NA	PeJP	NA	NA
+PJ090475	GGGGGGGGGGGMY 	C36H53N13O15S	939.3506	NA	PeJP	NA	NA
+PJ090476	PTCMYYY 	C44H57N7O12S2	939.3507	NA	PeJP	NA	NA
+PJ090477	PPCCKMMM 	C37H65N9O9S5	939.3509	NA	PeJP	NA	NA
+PJ090478	CCNQMRW 	C37H57N13O10S3	939.3514	NA	PeJP	NA	NA
+PJ090479	CCHHFFF 	C45H53N11O8S2	939.352	NA	PeJP	NA	NA
+PJ090480	GSSSSSSNNN 	C32H53N13O20	939.353	NA	PeJP	NA	NA
+PJ090481	SSCNNEMR 	C33H57N13O15S2	939.3539	NA	PeJP	NA	NA
+PJ090482	TTMMMYY 	C41H61N7O12S3	939.3541	NA	PeJP	NA	NA
+PJ090483	GSSSCQWW 	C41H53N11O13S	939.3545	NA	PeJP	NA	NA
+PJ090484	GGGGGSPCYW 	C41H53N11O13S	939.3546	NA	PeJP	NA	NA
+PJ090485	PCCCCQKR 	C34H61N13O10S4	939.3548	NA	PeJP	NA	NA
+PJ090486	GCCNNHHR 	C34H53N17O11S2	939.3552	NA	PeJP	NA	NA
+PJ090487	GGGGGCCHHR 	C34H53N17O11S2	939.3553	NA	PeJP	NA	NA
+PJ090488	GSSSSSNEW 	C37H53N11O18	939.357	NA	PeJP	NA	NA
+PJ090489	GGDDEERY 	C37H53N11O18	939.3571	NA	PeJP	NA	NA
+PJ090490	SDDMMRW 	C38H57N11O13S2	939.3579	NA	PeJP	NA	NA
+PJ090491	DEEHHHH 	C38H49N15O14	939.3584	NA	PeJP	NA	NA
+PJ090492	GPCEYWW 	C46H53N9O11S	939.3586	NA	PeJP	NA	NA
+PJ090493	SSSDEEMR 	C34H57N11O18S	939.3604	NA	PeJP	NA	NA
+PJ090494	GSSSNYYY 	C42H53N9O16	939.361	NA	PeJP	NA	NA
+PJ090495	GQEEEYW 	C42H53N9O16	939.3611	NA	PeJP	NA	NA
+PJ090496	NEEMMMR 	C35H61N11O13S3	939.3613	NA	PeJP	NA	NA
+PJ090497	SSNNNMHH 	C35H53N15O14S	939.3617	NA	PeJP	NA	NA
+PJ090498	GSCDEHHR 	C35H53N15O14S	939.3618	NA	PeJP	NA	NA
+PJ090499	GTEMMWW 	C43H57N9O11S2	939.3619	NA	PeJP	NA	NA
+PJ090500	CCCNRRW 	C36H57N15O9S3	939.3626	NA	PeJP	NA	NA
+PJ090501	GSTTEEMW 	C39H57N9O16S	939.3644	NA	PeJP	NA	NA
+PJ090502	GGAAEEEMF 	C39H57N9O16S	939.3645	NA	PeJP	NA	NA
+PJ090503	GPDYYYY 	C47H53N7O14	939.3651	NA	PeJP	NA	NA
+PJ090504	VNEMMMW 	C40H61N9O11S3	939.3653	NA	PeJP	NA	NA
+PJ090505	SNEMHHW 	C40H53N13O12S	939.3658	NA	PeJP	NA	NA
+PJ090506	MMFYYW 	C48H57N7O9S2	939.3659	NA	PeJP	NA	NA
+PJ090507	GSSTTTEEE 	C35H57N9O21	939.3669	NA	PeJP	NA	NA
+PJ090508	GSKEEEMM 	C36H61N9O16S2	939.3678	NA	PeJP	NA	NA
+PJ090509	GSNNDDRY 	C36H53N13O17	939.3683	NA	PeJP	NA	NA
+PJ090510	ATEMYYY 	C44H57N7O14S	939.3684	NA	PeJP	NA	NA
+PJ090511	GPDKMMMM 	C37H65N9O11S4	939.3687	NA	PeJP	NA	NA
+PJ090512	GSSCNMRW 	C37H57N13O12S2	939.3691	NA	PeJP	NA	NA
+PJ090513	GGGSSCMRW 	C37H57N13O12S2	939.3692	NA	PeJP	NA	NA
+PJ090514	AMMMFFY 	C45H61N7O9S3	939.3693	NA	PeJP	NA	NA
+PJ090515	GSNDHHHH 	C37H49N17O13	939.3696	NA	PeJP	NA	NA
+PJ090516	GCNQFWW 	C45H53N11O10S	939.3698	NA	PeJP	NA	NA
+PJ090517	LEEEEEY 	C40H57N7O19	939.371	NA	PeJP	NA	NA
+PJ090518	GSSSSNDMR 	C33H57N13O17S	939.3716	NA	PeJP	NA	NA
+PJ090519	GGGSSSSDMR 	C33H57N13O17S	939.3717	NA	PeJP	NA	NA
+PJ090520	SSSSSNWW 	C41H53N11O15	939.3723	NA	PeJP	NA	NA
+PJ090521	CDEMMRR 	C34H61N13O12S3	939.3725	NA	PeJP	NA	NA
+PJ090522	SCCQKWW 	C42H57N11O10S2	939.3732	NA	PeJP	NA	NA
+PJ090523	PCYWWW 	C50H53N9O8S	939.3738	NA	PeJP	NA	NA
+PJ090524	SSSSQQMW 	C38H57N11O15S	939.3757	NA	PeJP	NA	NA
+PJ090525	QEEYWW 	C46H53N9O13	939.3763	NA	PeJP	NA	NA
+PJ090526	GEMMMRW 	C39H61N11O10S3	939.3765	NA	PeJP	NA	NA
+PJ090527	GGGACKMMW 	C39H61N11O10S3	939.3766	NA	PeJP	NA	NA
+PJ090528	SCDHHRW 	C39H53N15O11S	939.377	NA	PeJP	NA	NA
+PJ090529	TMMWWW 	C47H57N9O8S2	939.3772	NA	PeJP	NA	NA
+PJ090530	SSSSSTQQE 	C34H57N11O20	939.3781	NA	PeJP	NA	NA
+PJ090531	SSSSSNDKE 	C34H57N11O20	939.3782	NA	PeJP	NA	NA
+PJ090532	GSTEEMMR 	C35H61N11O15S2	939.379	NA	PeJP	NA	NA
+PJ090533	GGGGSSKEMM 	C35H61N11O15S2	939.3791	NA	PeJP	NA	NA
+PJ090534	SSSDDHHR 	C35H53N15O16	939.3795	NA	PeJP	NA	NA
+PJ090535	GGGGGGGGGAAEH 	C35H53N15O16	939.3796	NA	PeJP	NA	NA
+PJ090536	STTEMWW 	C43H57N9O13S	939.3797	NA	PeJP	NA	NA
+PJ090537	GSPMMMMR 	C36H65N11O10S4	939.3799	NA	PeJP	NA	NA
+PJ090538	DFFYYW 	C51H53N7O11	939.3803	NA	PeJP	NA	NA
+PJ090539	NDMMHHR 	C36H57N15O11S2	939.3804	NA	PeJP	NA	NA
+PJ090540	GVMMMWW 	C44H61N9O8S3	939.3806	NA	PeJP	NA	NA
+PJ090541	GSMHHWW 	C44H53N13O9S	939.381	NA	PeJP	NA	NA
+PJ090542	SSTTTEEW 	C39H57N9O18	939.3822	NA	PeJP	NA	NA
+PJ090543	SKEEMMW 	C40H61N9O13S2	939.3831	NA	PeJP	NA	NA
+PJ090544	PDDDHRW 	C40H53N13O14	939.3835	NA	PeJP	NA	NA
+PJ090545	GGGGGGGNNFF 	C40H53N13O14	939.3836	NA	PeJP	NA	NA
+PJ090546	GPMFYYY 	C48H57N7O11S	939.3837	NA	PeJP	NA	NA
+PJ090547	GSCCQMRR 	C33H61N15O11S3	939.3838	NA	PeJP	NA	NA
+PJ090548	LMMMMHF 	C41H65N9O8S4	939.3839	NA	PeJP	NA	NA
+PJ090549	AQMMHHW 	C41H57N13O9S2	939.3844	NA	PeJP	NA	NA
+PJ090550	SSSPTTTEM 	C36H61N9O18S	939.3855	NA	PeJP	NA	NA
+PJ090551	SSTKEEEM 	C36H61N9O18S	939.3856	NA	PeJP	NA	NA
+PJ090552	TTTEYYY 	C44H57N7O16	939.3862	NA	PeJP	NA	NA
+PJ090553	AAKEEMMM 	C37H65N9O13S3	939.3864	NA	PeJP	NA	NA
+PJ090554	SSSSCQRW 	C37H57N13O14S	939.3869	NA	PeJP	NA	NA
+PJ090555	GLMMYYY 	C45H61N7O11S2	939.3871	NA	PeJP	NA	NA
+PJ090556	GSNQYWW 	C45H53N11O12	939.3875	NA	PeJP	NA	NA
+PJ090557	DDRYWW 	C45H53N11O12	939.3876	NA	PeJP	NA	NA
+PJ090558	CCNKMRW 	C38H61N13O9S3	939.3878	NA	PeJP	NA	NA
+PJ090559	NQMHHHH 	C38H53N17O10S	939.3882	NA	PeJP	NA	NA
+PJ090560	GGQMHHHH 	C38H53N17O10S	939.3883	NA	PeJP	NA	NA
+PJ090561	SSSSSSNER 	C33H57N13O19	939.3894	NA	PeJP	NA	NA
+PJ090562	SSSNQMMR 	C34H61N13O14S2	939.3903	NA	PeJP	NA	NA
+PJ090563	GNNNNDHR 	C34H53N17O15	939.3907	NA	PeJP	NA	NA
+PJ090564	GGGNNNDHR 	C34H53N17O15	939.3908	NA	PeJP	NA	NA
+PJ090565	GSSSCKWW 	C42H57N11O12S	939.3909	NA	PeJP	NA	NA
+PJ090566	GGGGGGGPMFF 	C42H57N11O12S	939.391	NA	PeJP	NA	NA
+PJ090567	PCCCCKKR 	C35H65N13O9S4	939.3912	NA	PeJP	NA	NA
+MJ098215	Cob(I)yrinate a,c diamide 	C45H64CoN6O12	939.391421	NA	MeJP	NA	NA
+MJ098216	Cob(II)yrinate a,c diamide 	C45H64CoN6O12	939.391421	NA	MeJP	NA	NA
+PJ090568	AEYWWW 	C50H53N9O10	939.3916	NA	PeJP	NA	NA
+PJ090569	MMMRWW 	C43H61N11O7S3	939.3918	NA	PeJP	NA	NA
+C04904	N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-	C37H61N7O21	939.3921	NA	KEGG	NA	NA
+PJ090570	GSSSSSDKW 	C38H57N11O17	939.3934	NA	PeJP	NA	NA
+PJ090571	GGGGGSPPPEE 	C38H57N11O17	939.3935	NA	PeJP	NA	NA
+PJ090572	STEMMRW 	C39H61N11O12S2	939.3943	NA	PeJP	NA	NA
+PJ090573	NNNQQHW 	C39H53N15O13	939.3948	NA	PeJP	NA	NA
+PJ090574	GPTMYWW 	C47H57N9O10S	939.3949	NA	PeJP	NA	NA
+PJ090575	GVDMFWW 	C47H57N9O10S	939.395	NA	PeJP	NA	NA
+PJ090576	ACMHHRW 	C40H57N15O8S2	939.3956	NA	PeJP	NA	NA
+PJ090577	SSTTEEMR 	C35H61N11O17S	939.3968	NA	PeJP	NA	NA
+PJ090578	SVQEEYW 	C43H57N9O15	939.3974	NA	PeJP	NA	NA
+PJ090579	GKEEEYW 	C43H57N9O15	939.3975	NA	PeJP	NA	NA
+PJ090580	DKEMMMR 	C36H65N11O12S3	939.3977	NA	PeJP	NA	NA
+PJ090581	CNNDRRY 	C36H57N15O13S	939.3981	NA	PeJP	NA	NA
+PJ090582	GGGGCDRRY 	C36H57N15O13S	939.3982	NA	PeJP	NA	NA
+PJ090583	SSLMMWW 	C44H61N9O10S2	939.3983	NA	PeJP	NA	NA
+PJ090584	SSTHHWW 	C44H53N13O11	939.3988	NA	PeJP	NA	NA
+PJ090585	MFFFYW 	C52H57N7O8S	939.399	NA	PeJP	NA	NA
+PJ090586	CNHHHHR 	C37H53N19O9S	939.3995	NA	PeJP	NA	NA
+PJ090587	SSSTLEMW 	C40H61N9O15S	939.4008	NA	PeJP	NA	NA
+PJ090588	APTYYYY 	C48H57N7O13	939.4015	NA	PeJP	NA	NA
+PJ090589	VDKMMMW 	C41H65N9O10S3	939.4017	NA	PeJP	NA	NA
+PJ090590	ACNQRYW 	C41H57N13O11S	939.4021	NA	PeJP	NA	NA
+PJ090591	GNNMRYW 	C41H57N13O11S	939.4022	NA	PeJP	NA	NA
+PJ090592	AMMFFFF 	C49H61N7O8S2	939.4023	NA	PeJP	NA	NA
+PJ090593	PEHWWW 	C49H53N11O9	939.4028	NA	PeJP	NA	NA
+PJ090594	SSSSTTLEE 	C36H61N9O20	939.4033	NA	PeJP	NA	NA
+PJ090595	ATTKEEMM 	C37H65N9O15S2	939.4042	NA	PeJP	NA	NA
+PJ090596	SSNNNNKY 	C37H57N13O16	939.4046	NA	PeJP	NA	NA
+PJ090597	GSSSSSSRW 	C37H57N13O16	939.4047	NA	PeJP	NA	NA
+PJ090598	STLMYYY 	C45H61N7O13S	939.4048	NA	PeJP	NA	NA
+PJ090599	APTKMMMM 	C38H69N9O10S4	939.4051	NA	PeJP	NA	NA
+PJ090600	GSTCCKRW 	C38H61N13O11S2	939.4055	NA	PeJP	NA	NA
+PJ090601	GGGGGAMMFR 	C38H61N13O11S2	939.4056	NA	PeJP	NA	NA
+PJ090602	GSTQHHHH 	C38H53N17O12	939.406	NA	PeJP	NA	NA
+PJ090603	DMFRWW 	C46H57N11O9S	939.4062	NA	PeJP	NA	NA
+PJ090604	GSSSSTQMR 	C34H61N13O16S	939.408	NA	PeJP	NA	NA
+PJ090605	GTEERYW 	C42H57N11O14	939.4087	NA	PeJP	NA	NA
+PJ090606	SEMMMRR 	C35H65N13O11S3	939.4089	NA	PeJP	NA	NA
+PJ090607	SCCKKWW 	C43H61N11O9S2	939.4095	NA	PeJP	NA	NA
+PJ090608	GPMMRYW 	C43H61N11O9S2	939.4096	NA	PeJP	NA	NA
+PJ090609	PEHHHHF 	C43H53N15O10	939.41	NA	PeJP	NA	NA
+PJ090610	CLFWWW 	C51H57N9O7S	939.4102	NA	PeJP	NA	NA
+PJ090611	SSSSQKMW 	C39H61N11O14S	939.412	NA	PeJP	NA	NA
+PJ090612	GGSSSTKMW 	C39H61N11O14S	939.4121	NA	PeJP	NA	NA
+PJ090613	KEEYWW 	C47H57N9O12	939.4127	NA	PeJP	NA	NA
+PJ090614	SVMMMRW 	C40H65N11O9S3	939.4129	NA	PeJP	NA	NA
+PJ090615	SSMHHRW 	C40H57N15O10S	939.4134	NA	PeJP	NA	NA
+PJ090616	QHHFWW 	C48H53N13O8	939.414	NA	PeJP	NA	NA
+PJ090617	GAHHFWW 	C48H53N13O8	939.4141	NA	PeJP	NA	NA
+PJ090618	SSSSSTQKE 	C35H61N11O19	939.4145	NA	PeJP	NA	NA
+PJ090619	GGSSSSTTKE 	C35H61N11O19	939.4146	NA	PeJP	NA	NA
+PJ090620	SSSLEMMR 	C36H65N11O14S2	939.4154	NA	PeJP	NA	NA
+PJ090621	SSSTEHHR 	C36H57N15O15	939.4159	NA	PeJP	NA	NA
+PJ090622	SPKEMYW 	C44H61N9O12S	939.4161	NA	PeJP	NA	NA
+PJ090623	LQMMMMR 	C37H69N11O9S4	939.4163	NA	PeJP	NA	NA
+PJ090624	VFYYYW 	C52H57N7O10	939.4167	NA	PeJP	NA	NA
+PJ090625	CNNMFRR 	C37H61N15O10S2	939.4168	NA	PeJP	NA	NA
+PJ090626	CLHHHFF 	C45H57N13O8S	939.4174	NA	PeJP	NA	NA
+PJ090627	TTTTTTEW 	C40H61N9O17	939.4186	NA	PeJP	NA	NA
+PJ090628	GSSSSTCRR 	C33H61N15O15S	939.4193	NA	PeJP	NA	NA
+PJ090629	GTTTLMMW 	C41H65N9O12S2	939.4194	NA	PeJP	NA	NA
+PJ090630	AAPKEMMY 	C41H65N9O12S2	939.4195	NA	PeJP	NA	NA
+PJ090631	SSNQRYW 	C41H57N13O13	939.4199	NA	PeJP	NA	NA
+PJ090632	GGGGGGGAAPPW 	C41H57N13O13	939.42	NA	PeJP	NA	NA
+PJ090633	GLMFFYY 	C49H61N7O10S	939.4201	NA	PeJP	NA	NA
+PJ090634	AKMMHHW 	C42H61N13O8S2	939.4208	NA	PeJP	NA	NA
+PJ090635	TTTTKEEM 	C37H65N9O17S	939.4219	NA	PeJP	NA	NA
+PJ090636	GTLKEMMM 	C38H69N9O12S3	939.4228	NA	PeJP	NA	NA
+PJ090637	SSSSCKRW 	C38H61N13O13S	939.4233	NA	PeJP	NA	NA
+PJ090638	TERYWW 	C46H57N11O11	939.4239	NA	PeJP	NA	NA
+PJ090639	GGGSPPPWW 	C46H57N11O11	939.424	NA	PeJP	NA	NA
+PJ090640	PCMMFRR 	C39H65N13O8S3	939.4242	NA	PeJP	NA	NA
+PJ090641	GPPCHHHR 	C39H57N17O9S	939.4246	NA	PeJP	NA	NA
+PJ090642	SSSSSSDKR 	C34H61N13O18	939.4258	NA	PeJP	NA	NA
+PJ090643	SSSNKMMR 	C35H65N13O13S2	939.4267	NA	PeJP	NA	NA
+PJ090644	NNDEHRR 	C35H57N17O14	939.4271	NA	PeJP	NA	NA
+PJ090645	GGGGGGGTQHR 	C35H57N17O14	939.4272	NA	PeJP	NA	NA
+PJ090646	GVEMRYW 	C43H61N11O11S	939.4273	NA	PeJP	NA	NA
+PJ090647	CLMMMRR 	C36H69N13O8S4	939.4275	NA	PeJP	NA	NA
+PJ090648	SLYWWW 	C51H57N9O9	939.4279	NA	PeJP	NA	NA
+PJ090649	VTYWWW 	C51H57N9O9	939.428	NA	PeJP	NA	NA
+PJ090650	GSSSSTTKW 	C39H61N11O16	939.4298	NA	PeJP	NA	NA
+3130	ester transferases inhibitor	WRMWYV	939.4304	celiac toxic	Inhouse_peptide	NA	peptide
+PJ090651	GSTCKKMW 	C40H65N11O11S2	939.4307	NA	PeJP	NA	NA
+PJ090652	GQQEHRW 	C40H57N15O12	939.4311	NA	PeJP	NA	NA
+PJ090653	GGAQEHRW 	C40H57N15O12	939.4312	NA	PeJP	NA	NA
+PJ090654	AALMYWW 	C48H61N9O9S	939.4313	NA	PeJP	NA	NA
+PJ090655	FFFFFW 	C56H57N7O7	939.432	NA	PeJP	NA	NA
+PJ090656	VHHHHHH 	C41H53N19O8	939.4325	NA	PeJP	NA	NA
+PJ090657	TTTTTEMR 	C36H65N11O16S	939.4332	NA	PeJP	NA	NA
+PJ090658	SVKEEYW 	C44H61N9O14	939.4338	NA	PeJP	NA	NA
+PJ090659	GGAALEEFF 	C44H61N9O14	939.4339	NA	PeJP	NA	NA
+PJ090660	GTTLMMMR 	C37H69N11O11S3	939.4341	NA	PeJP	NA	NA
+PJ090661	SNNMRRY 	C37H61N15O12S	939.4345	NA	PeJP	NA	NA
+PJ090662	PCLKMYW 	C45H65N9O9S2	939.4347	NA	PeJP	NA	NA
+PJ090663	GVQQHWW 	C45H57N13O10	939.4352	NA	PeJP	NA	NA
+PJ090664	SSSSSSSRR 	C33H61N15O17	939.437	NA	PeJP	NA	NA
+PJ090665	STTTTLMW 	C41H65N9O14S	939.4372	NA	PeJP	NA	NA
+PJ090666	GVLYYYY 	C49H61N7O12	939.4378	NA	PeJP	NA	NA
+PJ090667	SSTCCKRR 	C34H65N15O12S2	939.4379	NA	PeJP	NA	NA
+PJ090668	TLKMMMW 	C42H69N9O9S3	939.4381	NA	PeJP	NA	NA
+PJ090669	EMRRYW 	C42H61N13O10S	939.4385	NA	PeJP	NA	NA
+PJ090670	GGACKRYW 	C42H61N13O10S	939.4386	NA	PeJP	NA	NA
+PJ090671	APPHFWW 	C50H57N11O8	939.4392	NA	PeJP	NA	NA
+PJ090672	SSTTTTTLE 	C37H65N9O19	939.4397	NA	PeJP	NA	NA
+PJ090673	STTLKEMM 	C38H69N9O14S2	939.4406	NA	PeJP	NA	NA
+PJ090674	STEERRY 	C38H61N13O15	939.441	NA	PeJP	NA	NA
+PJ090675	GGGGSSSLRY 	C38H61N13O15	939.4411	NA	PeJP	NA	NA
+PJ090676	GVLKMMMM 	C39H73N9O9S4	939.4415	NA	PeJP	NA	NA
+PJ090677	SPMMRRY 	C39H65N13O10S2	939.4419	NA	PeJP	NA	NA
+PJ090678	GNDHRRW 	C39H57N17O11	939.4424	NA	PeJP	NA	NA
+PJ090679	VMRYWW 	C47H61N11O8S	939.4426	NA	PeJP	NA	NA
+PJ090680	GSSSSTKMR 	C35H65N13O15S	939.4444	NA	PeJP	NA	NA
+PJ090681	SSLERYW 	C43H61N11O13	939.4451	NA	PeJP	NA	NA
+PJ090682	GSCKKMMR 	C36H69N13O10S3	939.4453	NA	PeJP	NA	NA
+PJ090683	GSPCQHRR 	C36H61N17O11S	939.4458	NA	PeJP	NA	NA
+PJ090684	GLMMFRW 	C44H65N11O8S2	939.4459	NA	PeJP	NA	NA
+PJ090685	QQHRWW 	C44H57N15O9	939.4464	NA	PeJP	NA	NA
+PJ090686	SSSSKKMW 	C40H65N11O13S	939.4484	NA	PeJP	NA	NA
+PJ090687	GGAADKKMY 	C40H65N11O13S	939.4485	NA	PeJP	NA	NA
+PJ090688	ATTLYWW 	C48H61N9O11	939.4491	NA	PeJP	NA	NA
+PJ090689	PKMMMFR 	C41H69N11O8S3	939.4493	NA	PeJP	NA	NA
+PJ090690	PCNKHRW 	C41H61N15O9S	939.4498	NA	PeJP	NA	NA
+PJ090691	KHHFWW 	C49H57N13O7	939.4504	NA	PeJP	NA	NA
+PJ090692	SSSSSTKKE 	C36H65N11O18	939.4509	NA	PeJP	NA	NA
+PJ090693	STTTLMMR 	C37H69N11O13S2	939.4518	NA	PeJP	NA	NA
+PJ090694	GSSSQRRY 	C37H61N15O14	939.4523	NA	PeJP	NA	NA
+PJ090695	SLLQMYW 	C45H65N9O11S	939.4524	NA	PeJP	NA	NA
+PJ090696	ALKEMYW 	C45H65N9O11S	939.4525	NA	PeJP	NA	NA
+PJ090697	LKMMMMR 	C38H73N11O8S4	939.4527	NA	PeJP	NA	NA
+PJ090698	GLFFFFY 	C53H61N7O9	939.4531	NA	PeJP	NA	NA
+PJ090699	CCQKFRR 	C38H65N15O9S2	939.4532	NA	PeJP	NA	NA
+PJ090700	SSSSPVTLY 	C41H65N9O16	939.4549	NA	PeJP	NA	NA
+PJ090701	GTTLKEEY 	C41H65N9O16	939.455	NA	PeJP	NA	NA
+PJ090702	GPTLKMMY 	C42H69N9O11S2	939.4558	NA	PeJP	NA	NA
+PJ090703	SSNKRYW 	C42H61N13O12	939.4563	NA	PeJP	NA	NA
+PJ090704	APHHHRW 	C43H57N17O8	939.4576	NA	PeJP	NA	NA
+PJ090705	SSSTTTLLM 	C38H69N9O16S	939.4583	NA	PeJP	NA	NA
+PJ090706	SSLLKMMM 	C39H73N9O11S3	939.4592	NA	PeJP	NA	NA
+PJ090707	SVEMRRY 	C39H65N13O12S	939.4597	NA	PeJP	NA	NA
+PJ090708	GLLEHWW 	C47H61N11O10	939.4603	NA	PeJP	NA	NA
+PJ090709	GMHHFRR 	C40H61N17O8S	939.461	NA	PeJP	NA	NA
+PJ090710	SSSSSTTKR 	C35H65N13O17	939.4622	NA	PeJP	NA	NA
+PJ090711	SSTCKKMR 	C36H69N13O12S2	939.463	NA	PeJP	NA	NA
+PJ090712	SQQEHRR 	C36H61N17O13	939.4635	NA	PeJP	NA	NA
+PJ090713	ATLMRYW 	C44H65N11O10S	939.4637	NA	PeJP	NA	NA
+PJ090714	AALFFWW 	C52H61N9O8	939.4643	NA	PeJP	NA	NA
+PJ090715	GVVFFWW 	C52H61N9O8	939.4644	NA	PeJP	NA	NA
+PJ090716	GTTTLERY 	C40H65N11O15	939.4662	NA	PeJP	NA	NA
+PJ090717	VLQMMRY 	C41H69N11O10S2	939.4671	NA	PeJP	NA	NA
+PJ090718	PPNDRRW 	C41H61N15O11	939.4675	NA	PeJP	NA	NA
+PJ090719	GGPPDRRW 	C41H61N15O11	939.4676	NA	PeJP	NA	NA
+PJ090720	PCLKFFW 	C49H65N9O8S	939.4677	NA	PeJP	NA	NA
+PJ090721	GSSTTTKKM 	C37H69N11O15S	939.4696	NA	PeJP	NA	NA
+PJ090722	TTLKEYW 	C45H65N9O13	939.4702	NA	PeJP	NA	NA
+PJ090723	GSKKKMMM 	C38H73N11O10S3	939.4704	NA	PeJP	NA	NA
+PJ090724	SCQKRRY 	C38H65N15O11S	939.4709	NA	PeJP	NA	NA
+PJ090725	VVKMMFW 	C46H69N9O8S2	939.4711	NA	PeJP	NA	NA
+PJ090726	APPQRWW 	C46H61N13O9	939.4716	NA	PeJP	NA	NA
+PJ090727	LKKEEMY 	C42H69N9O13S	939.4736	NA	PeJP	NA	NA
+PJ090728	SNDHRRR 	C35H61N19O12	939.4748	NA	PeJP	NA	NA
+PJ090729	GCKKRYW 	C43H65N13O9S	939.4749	NA	PeJP	NA	NA
+PJ090730	LLHWWW 	C51H61N11O7	939.4756	NA	PeJP	NA	NA
+PJ090731	TTTTTTTTL 	C38H69N9O18	939.4761	NA	PeJP	NA	NA
+PJ090732	GSSDKKRY 	C39H65N13O14	939.4774	NA	PeJP	NA	NA
+PJ090733	GAAPPDKER 	C39H65N13O14	939.4775	NA	PeJP	NA	NA
+PJ090734	ALMMRRY 	C40H69N13O9S2	939.4783	NA	PeJP	NA	NA
+PJ090735	GTQHRRW 	C40H61N17O10	939.4788	NA	PeJP	NA	NA
+PJ090736	TTTLRYW 	C44H65N11O12	939.4814	NA	PeJP	NA	NA
+PJ090737	GGTTKKYW 	C44H65N11O12	939.4815	NA	PeJP	NA	NA
+PJ090738	VNQMHRR 	C37H65N17O10S	939.4821	NA	PeJP	NA	NA
+PJ090739	GGVQMHRR 	C37H65N17O10S	939.4822	NA	PeJP	NA	NA
+MJ098217	Tylosin B; 2A,3,4A,4C-Tetra-Ac 	C47H73NO18	939.482764	NA	MeJP	NA	NA
+PJ090740	QKHRWW 	C45H61N15O8	939.4828	NA	PeJP	NA	NA
+PJ090741	TLKEMRY 	C41H69N11O12S	939.4848	NA	PeJP	NA	NA
+PJ090742	GGGGAAPPLLM 	C41H69N11O12S	939.4849	NA	PeJP	NA	NA
+PJ090743	PPLLEWW 	C49H65N9O10	939.4855	NA	PeJP	NA	NA
+PJ090744	PPMHFRR 	C42H65N15O8S	939.4862	NA	PeJP	NA	NA
+PJ090745	SSSTTTTKK 	C37H69N11O17	939.4873	NA	PeJP	NA	NA
+PJ090746	SSTKKKMM 	C38H73N11O12S2	939.4882	NA	PeJP	NA	NA
+PJ090747	GSSSKRRY 	C38H65N15O13	939.4887	NA	PeJP	NA	NA
+PJ090748	SLLKMYW 	C46H69N9O10S	939.4888	NA	PeJP	NA	NA
+PJ090749	SPPPLLMW 	C46H69N9O10S	939.4889	NA	PeJP	NA	NA
+PJ090750	CCKKFRR 	C39H69N15O8S2	939.4895	NA	PeJP	NA	NA
+PJ090751	PTHHHRR 	C39H61N19O9	939.49	NA	PeJP	NA	NA
+PJ090752	SSTLLKEY 	C42H69N9O15	939.4913	NA	PeJP	NA	NA
+PJ090753	PPVLKEEE 	C42H69N9O15	939.4914	NA	PeJP	NA	NA
+PJ090754	AALLKMMY 	C43H73N9O10S2	939.4922	NA	PeJP	NA	NA
+PJ090755	SLLEHRW 	C43H65N13O11	939.4927	NA	PeJP	NA	NA
+PJ090756	GQMHRRR 	C36H65N19O9S	939.4934	NA	PeJP	NA	NA
+PJ090757	SQKKMRY 	C40H69N13O11S	939.496	NA	PeJP	NA	NA
+PJ090758	TTLMRRY 	C40H69N13O11S	939.4961	NA	PeJP	NA	NA
+PJ090759	SVLLHWW 	C48H65N11O9	939.4967	NA	PeJP	NA	NA
+PJ090760	GSPPDRRR 	C37H65N17O12	939.4999	NA	PeJP	NA	NA
+PJ090761	GKKKMYW 	C45H69N11O9S	939.5001	NA	PeJP	NA	NA
+PJ090762	SSTTLLRY 	C41H69N11O14	939.5026	NA	PeJP	NA	NA
+PJ090763	VLKMMRY 	C42H73N11O9S2	939.5035	NA	PeJP	NA	NA
+PJ090764	PPTQRRW 	C42H65N15O10	939.5039	NA	PeJP	NA	NA
+PJ090765	GCHRRRR 	C35H65N21O8S	939.5046	NA	PeJP	NA	NA
+PJ090766	SPPVLLEW 	C46H69N9O12	939.5066	NA	PeJP	NA	NA
+PJ090767	SCKKRRY 	C39H69N15O10S	939.5073	NA	PeJP	NA	NA
+PJ090768	APPKRWW 	C47H65N13O8	939.5079	NA	PeJP	NA	NA
+PJ090769	GVKKHWW 	C47H65N13O8	939.508	NA	PeJP	NA	NA
+PJ090770	ATTLLKMY 	C43H73N9O12S	939.51	NA	PeJP	NA	NA
+PJ090771	STQHRRR 	C36H65N19O11	939.5111	NA	PeJP	NA	NA
+PJ090772	GGGGPQRRR 	C36H65N19O11	939.5112	NA	PeJP	NA	NA
+PJ090773	VVLMHRW 	C44H69N13O8S	939.5113	NA	PeJP	NA	NA
+PJ090774	GSTTKKRY 	C40H69N13O13	939.5138	NA	PeJP	NA	NA
+PJ090775	GGGGGGGAPLLK 	C40H69N13O13	939.5139	NA	PeJP	NA	NA
+PJ090776	CKKKMFR 	C41H73N13O8S2	939.5147	NA	PeJP	NA	NA
+PJ090777	GTKHRRW 	C41H65N17O9	939.5152	NA	PeJP	NA	NA
+PJ090778	STKKKYW 	C45H69N11O11	939.5178	NA	PeJP	NA	NA
+PJ090779	GPPVKKEW 	C45H69N11O11	939.5179	NA	PeJP	NA	NA
+PJ090780	PPQMRRR 	C38H69N17O9S	939.5185	NA	PeJP	NA	NA
+MJ098218	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?6)-?-L-arabinopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C48H77NO17	939.51915	NA	MeJP	NA	NA
+PJ090781	KKHRWW 	C46H65N15O7	939.5192	NA	PeJP	NA	NA
+PJ090782	DKKKKMY 	C42H73N11O11S	939.5212	NA	PeJP	NA	NA
+PJ090783	ALLKFYW 	C50H69N9O9	939.5219	NA	PeJP	NA	NA
+PJ090784	SSPTKKHR 	C39H69N15O12	939.525	NA	PeJP	NA	NA
+PJ090785	GPPTKERR 	C39H69N15O12	939.5251	NA	PeJP	NA	NA
+PJ090786	APPLLLMW 	C47H73N9O9S	939.5252	NA	PeJP	NA	NA
+PJ090787	VVHHHRR 	C40H65N19O8	939.5264	NA	PeJP	NA	NA
+3059	Immunostimulating peptide	YQQPVLGPVRGPFPIIV	939.527	MH2+	Inhouse_peptide	NA	peptide
+PJ090788	TTTTLLKY 	C43H73N9O14	939.5277	NA	PeJP	NA	NA
+PJ090789	GGPLLLLEE 	C43H73N9O14	939.5278	NA	PeJP	NA	NA
+PJ090790	PPKKERW 	C44H69N13O10	939.5291	NA	PeJP	NA	NA
+PJ090791	PPCRRRR 	C37H69N19O8S	939.5298	NA	PeJP	NA	NA
+PJ090792	SKKKMRY 	C41H73N13O10S	939.5324	NA	PeJP	NA	NA
+PJ090793	GTLLLMHR 	C41H73N13O10S	939.5325	NA	PeJP	NA	NA
+PJ090794	PPVKKWW 	C49H69N11O8	939.5331	NA	PeJP	NA	NA
+PJ090795	PVQERRR 	C38H69N17O11	939.5363	NA	PeJP	NA	NA
+PJ090796	LLLKMHW 	C46H73N11O8S	939.5365	NA	PeJP	NA	NA
+PJ090797	SSSLKKKY 	C42H73N11O13	939.539	NA	PeJP	NA	NA
+PJ090798	KKKKMMF 	C43H77N11O8S2	939.5398	NA	PeJP	NA	NA
+PJ090799	PPTKRRW 	C43H69N15O9	939.5403	NA	PeJP	NA	NA
+PJ090800	GPLLLLEW 	C47H73N9O11	939.543	NA	PeJP	NA	NA
+PJ090801	GPPVKMRR 	C40H73N15O9S	939.5437	NA	PeJP	NA	NA
+PJ090802	PPLLLKEM 	C44H77N9O11S	939.5464	NA	PeJP	NA	NA
+PJ090803	APERRRR 	C37H69N19O10	939.5475	NA	PeJP	NA	NA
+PJ090804	STTLLLHR 	C41H73N13O12	939.5502	NA	PeJP	NA	NA
+PJ090805	LLKHHHR 	C42H69N17O8	939.5515	NA	PeJP	NA	NA
+PJ090806	GPLRRRW 	C42H69N17O8	939.5516	NA	PeJP	NA	NA
+PJ090807	APPTLKKW 	C46H73N11O10	939.5542	NA	PeJP	NA	NA
+PJ090808	PPKMRRR 	C39H73N17O8S	939.5549	NA	PeJP	NA	NA
+PJ090809	PPTLLLMR 	C43H77N11O10S	939.5576	NA	PeJP	NA	NA
+PJ090810	PLLLLWW 	C51H73N9O8	939.5583	NA	PeJP	NA	NA
+PJ090811	SSPPLKRR 	C40H73N15O11	939.5614	NA	PeJP	NA	NA
+PJ090812	AAPLKERR 	C40H73N15O11	939.5615	NA	PeJP	NA	NA
+PJ090813	PVLLLKEE 	C44H77N9O13	939.5641	NA	PeJP	NA	NA
+PJ090814	PLLQKRW 	C45H73N13O9	939.5655	NA	PeJP	NA	NA
+PJ090815	APPLKKMR 	C42H77N13O9S	939.5688	NA	PeJP	NA	NA
+PJ090816	PVKERRR 	C39H73N17O10	939.5727	NA	PeJP	NA	NA
+PJ090817	SPLLLLER 	C43H77N11O12	939.5754	NA	PeJP	NA	NA
+PJ090818	PVVKRRW 	C44H73N15O8	939.5767	NA	PeJP	NA	NA
+PJ090819	SPVLLLLW 	C48H77N9O10	939.5794	NA	PeJP	NA	NA
+PJ090820	LKKKMHR 	C41H77N15O8S	939.5801	NA	PeJP	NA	NA
+PJ090821	PLLLLLQM 	C45H81N9O10S	939.5828	NA	PeJP	NA	NA
+PJ090822	SPLRRRR 	C38H73N19O9	939.5839	NA	PeJP	NA	NA
+PJ090823	GPLLKKER 	C42H77N13O11	939.5866	NA	PeJP	NA	NA
+PJ090824	GPVLLKKW 	C47H77N11O9	939.5906	NA	PeJP	NA	NA
+PJ090825	PVVLLLMR 	C44H81N11O9S	939.594	NA	PeJP	NA	NA
+PJ090826	GPTLLKRR 	C41H77N15O10	939.5978	NA	PeJP	NA	NA
+PJ090827	VLLLLLQE 	C45H81N9O12	939.6005	NA	PeJP	NA	NA
+PJ090828	PLLKKRW 	C46H77N13O8	939.6018	NA	PeJP	NA	NA
+PJ090829	VLLQRRR 	C40H77N17O9	939.6091	NA	PeJP	NA	NA
+PJ090830	VVVLLLER 	C44H81N11O11	939.6117	NA	PeJP	NA	NA
+PJ090831	ALLLLLER 	C44H81N11O11	939.6118	NA	PeJP	NA	NA
+PJ090832	GLLLLLLW 	C49H81N9O9	939.6158	NA	PeJP	NA	NA
+PJ090833	PLLLLLKM 	C46H85N9O9S	939.6191	NA	PeJP	NA	NA
+PJ090834	ALLRRRR 	C39H77N19O8	939.6203	NA	PeJP	NA	NA
+PJ090835	SPVLLKKR 	C43H81N13O10	939.623	NA	PeJP	NA	NA
+MJ098219	Dunaimycin D2S; 19-Me ether 	C51H89NO14	939.628306	NA	MeJP	NA	NA
+PJ090836	AALLLKRR 	C42H81N15O9	939.6342	NA	PeJP	NA	NA
+PJ090837	VLLLLLKE 	C46H85N9O11	939.6369	NA	PeJP	NA	NA
+PJ090838	PKKKKRR 	C41H81N17O8	939.6454	NA	PeJP	NA	NA
+PJ090839	VLLKRRR 	C41H81N17O8	939.6455	NA	PeJP	NA	NA
+PJ090840	SLLLLLLR 	C45H85N11O10	939.6481	NA	PeJP	NA	NA
+PJ090841	GLLLLKKR 	C44H85N13O9	939.6594	NA	PeJP	NA	NA
+PJ090842	VVLLLKKK 	C46H89N11O9	939.6845	NA	PeJP	NA	NA
+MJ098220	1,2,3,4,6-Pentagalloylglucose 	C41H32O26	940.118181	NA	MeJP	NA	NA
+MJ098221	1,2,3,6-Tetragalloylglucose; ?-D-Pyranose-form, O-(3,4,5-Trihydroxybenzoyl)(1) 	C41H32O26	940.118181	NA	MeJP	NA	NA
+MJ098222	1,2,3,6-Tetragalloylglucose; ?-D-Pyranose-form, O-(3,4,5-Trihydroxybenzoyl)(2) 	C41H32O26	940.118181	NA	MeJP	NA	NA
+MJ098223	2,3,6-Trigalloylglucose; ?-D-Pyranose-form, Bis-(3,4,5-Trihydroxybenzoyl) 	C41H32O26	940.118181	NA	MeJP	NA	NA
+MetaCyc04333	1,2,3,4,6-pentakis-O-galloyl-&beta;-D-glucose []	C41H32O26	940.118181	14937-32-7	metacyc	NA	NA
+C04576	1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose	C41H32O26	940.1182	NA	KEGG	NA	NA
+PJ090843	SCCCCCCCN 	C28H48N10O12S7	940.1498	NA	PeJP	NA	NA
+PJ090844	GGSCCCCCCC 	C28H48N10O12S7	940.1499	NA	PeJP	NA	NA
+PJ090845	CCCCCDEY 	C33H48N8O14S5	940.1894	NA	PeJP	NA	NA
+PJ090846	CCCCCEMF 	C34H52N8O11S6	940.208	NA	PeJP	NA	NA
+PJ090847	CCCDDDMH 	C32H48N10O15S4	940.2184	NA	PeJP	NA	NA
+PJ090848	CDDDDDDE 	C32H44N8O23S	940.2241	NA	PeJP	NA	NA
+PJ090849	SCCCCEMY 	C34H52N8O13S5	940.2258	NA	PeJP	NA	NA
+PJ090850	GSCCCCNDH 	C31H48N12O14S4	940.2296	NA	PeJP	NA	NA
+PJ090851	GPCCCNDDD 	C32H48N10O17S3	940.2362	NA	PeJP	NA	NA
+PJ090852	GCCCDDYY 	C37H48N8O15S3	940.2402	NA	PeJP	NA	NA
+PJ090853	PCCCCCFY 	C38H52N8O10S5	940.241	NA	PeJP	NA	NA
+PJ090854	GCCCMMMY 	C35H56N8O10S6	940.2444	NA	PeJP	NA	NA
+PJ090855	CCCCNQMH 	C32H52N12O11S5	940.2482	NA	PeJP	NA	NA
+PJ090856	GGCCCCQMH 	C32H52N12O11S5	940.2483	NA	PeJP	NA	NA
+PJ090857	CNNDDDDM 	C32H48N10O19S2	940.2539	NA	PeJP	NA	NA
+PJ090858	SCCDDMMH 	C33H52N10O14S4	940.2548	NA	PeJP	NA	NA
+PJ090859	SPCCCCYY 	C38H52N8O12S4	940.2588	NA	PeJP	NA	NA
+PJ090860	CCCCCNHR 	C31H52N14O10S5	940.2595	NA	PeJP	NA	NA
+PJ090861	SDDDDDEM 	C33H48N8O22S	940.2604	NA	PeJP	NA	NA
+PJ090862	PCDDDDMM 	C34H52N8O17S3	940.2613	NA	PeJP	NA	NA
+PJ090863	STCCCMMY 	C35H56N8O12S5	940.2622	NA	PeJP	NA	NA
+PJ090864	GSCCNNNDD 	C31H48N12O18S2	940.2651	NA	PeJP	NA	NA
+PJ090865	GGGGGSCCNDD 	C31H48N12O18S2	940.2652	NA	PeJP	NA	NA
+PJ090866	GSSCCCNMH 	C32H52N12O13S4	940.266	NA	PeJP	NA	NA
+PJ090867	GCCNDDEW 	C36H48N10O16S2	940.2692	NA	PeJP	NA	NA
+PJ090868	PCCCCEHF 	C37H52N10O11S4	940.27	NA	PeJP	NA	NA
+PJ090869	GSSCNDDDE 	C32H48N10O21S	940.2717	NA	PeJP	NA	NA
+PJ090870	GSPCCNDDM 	C33H52N10O16S3	940.2725	NA	PeJP	NA	NA
+PJ090871	GCCEMMMH 	C34H56N10O11S5	940.2734	NA	PeJP	NA	NA
+PJ090872	SCCCDHHH 	C34H48N14O12S3	940.2739	NA	PeJP	NA	NA
+PJ090873	PCDDDDDF 	C37H48N8O19S	940.2757	NA	PeJP	NA	NA
+PJ090874	GSCCDMYY 	C38H52N8O14S3	940.2765	NA	PeJP	NA	NA
+PJ090875	GCCCMMFF 	C39H56N8O9S5	940.2774	NA	PeJP	NA	NA
+PJ090876	GDDDEEMM 	C34H52N8O19S2	940.2791	NA	PeJP	NA	NA
+PJ090877	PCCDDDHH 	C35H48N12O15S2	940.2804	NA	PeJP	NA	NA
+PJ090878	SSSSCCCQH 	C32H52N12O15S3	940.2838	NA	PeJP	NA	NA
+PJ090879	CCNDDWW 	C40H48N10O13S2	940.2844	NA	PeJP	NA	NA
+PJ090880	GPPCCCCCR 	C33H56N12O10S5	940.2846	NA	PeJP	NA	NA
+PJ090881	SSCNDDDW 	C36H48N10O18S	940.2869	NA	PeJP	NA	NA
+PJ090882	SPCCCNEW 	C37H52N10O13S3	940.2878	NA	PeJP	NA	NA
+PJ090883	CCMMMHW 	C38H56N10O8S5	940.2887	NA	PeJP	NA	NA
+PJ090884	SSSSNDDDD 	C32H48N10O23	940.2894	NA	PeJP	NA	NA
+PJ090885	SNNDDDMM 	C33H52N10O18S2	940.2903	NA	PeJP	NA	NA
+PJ090886	SSCDMMMH 	C34H56N10O13S4	940.2911	NA	PeJP	NA	NA
+PJ090887	TTCCDMMH 	C34H56N10O13S4	940.2912	NA	PeJP	NA	NA
+PJ090888	TCCCYYW 	C42H52N8O11S3	940.2918	NA	PeJP	NA	NA
+PJ090889	ACCCMHHH 	C35H52N14O9S4	940.2925	NA	PeJP	NA	NA
+PJ090890	SPDDDDDY 	C37H48N8O21	940.2934	NA	PeJP	NA	NA
+PJ090891	GDDDDEEF 	C37H48N8O21	940.2935	NA	PeJP	NA	NA
+PJ090892	DDDEMMW 	C38H52N8O16S2	940.2943	NA	PeJP	NA	NA
+PJ090893	CCCNNNDR 	C31H52N14O14S3	940.295	NA	PeJP	NA	NA
+PJ090894	CCQMMYY 	C39H56N8O11S4	940.2952	NA	PeJP	NA	NA
+PJ090895	SSDDEEEM 	C34H52N8O21S	940.2968	NA	PeJP	NA	NA
+PJ090896	SPDDDMMM 	C35H56N8O16S3	940.2977	NA	PeJP	NA	NA
+PJ090897	GDDDDMHH 	C35H48N12O17S	940.2982	NA	PeJP	NA	NA
+PJ090898	PPCCEMMM 	C36H60N8O11S5	940.2986	NA	PeJP	NA	NA
+PJ090899	GCCNNNMW 	C36H52N12O12S3	940.299	NA	PeJP	NA	NA
+PJ090900	SCCNDDER 	C32H52N12O17S2	940.3015	NA	PeJP	NA	NA
+PJ090901	PCCCNDMR 	C33H56N12O12S4	940.3024	NA	PeJP	NA	NA
+PJ090902	GSPCCCWW 	C41H52N10O10S3	940.303	NA	PeJP	NA	NA
+PJ090903	GNNDDDEY 	C36H48N10O20	940.3047	NA	PeJP	NA	NA
+PJ090904	GSCNDEMW 	C37H52N10O15S2	940.3055	NA	PeJP	NA	NA
+PJ090905	GGGSCDEMW 	C37H52N10O15S2	940.3056	NA	PeJP	NA	NA
+PJ090906	GPCCNMMW 	C38H56N10O10S4	940.3064	NA	PeJP	NA	NA
+PJ090907	GSSSNDDEM 	C33H52N10O20S	940.308	NA	PeJP	NA	NA
+PJ090908	GGGSSSDDEM 	C33H52N10O20S	940.3081	NA	PeJP	NA	NA
+PJ090909	DDDDEFW 	C41H48N8O18	940.3087	NA	PeJP	NA	NA
+PJ090910	GNNDEMMM 	C34H56N10O15S3	940.3089	NA	PeJP	NA	NA
+PJ090911	SCNNDDHH 	C34H48N14O16S	940.3094	NA	PeJP	NA	NA
+PJ090912	CCNEFYY 	C42H52N8O13S2	940.3096	NA	PeJP	NA	NA
+PJ090913	GTCMMMMH 	C35H60N10O10S5	940.3098	NA	PeJP	NA	NA
+PJ090914	SSCCMHHH 	C35H52N14O11S3	940.3103	NA	PeJP	NA	NA
+PJ090915	GPDDDEMY 	C38H52N8O18S	940.3121	NA	PeJP	NA	NA
+PJ090916	GSSCMMYY 	C39H56N8O13S3	940.3129	NA	PeJP	NA	NA
+PJ090917	CDDEHHW 	C39H48N12O14S	940.3134	NA	PeJP	NA	NA
+PJ090918	GSEEEEMM 	C35H56N8O18S2	940.3154	NA	PeJP	NA	NA
+PJ090919	SSDDDEHH 	C35H48N12O19	940.3159	NA	PeJP	NA	NA
+PJ090920	GPDEMMMM 	C36H60N8O13S4	940.3163	NA	PeJP	NA	NA
+PJ090921	GSCCDDRW 	C36H52N12O14S2	940.3168	NA	PeJP	NA	NA
+PJ090922	APCCCCRW 	C37H56N12O9S4	940.3177	NA	PeJP	NA	NA
+PJ090923	GSSSCDDDR 	C32H52N12O19S	940.3193	NA	PeJP	NA	NA
+PJ090924	NNDDDYW 	C40H48N10O17	940.3199	NA	PeJP	NA	NA
+PJ090925	ACCNDEMR 	C33H56N12O14S3	940.3201	NA	PeJP	NA	NA
+PJ090926	GCNDDMMR 	C33H56N12O14S3	940.3202	NA	PeJP	NA	NA
+PJ090927	SCNDMWW 	C41H52N10O12S2	940.3208	NA	PeJP	NA	NA
+PJ090928	SSSNDDMW 	C37H52N10O17S	940.3233	NA	PeJP	NA	NA
+PJ090929	NNDMMMW 	C38H56N10O12S3	940.3242	NA	PeJP	NA	NA
+PJ090930	GCCFYYW 	C46H52N8O10S2	940.3248	NA	PeJP	NA	NA
+PJ090931	SSSSSNDEE 	C33H52N10O22	940.3258	NA	PeJP	NA	NA
+PJ090932	SSNNEEMM 	C34H56N10O17S2	940.3267	NA	PeJP	NA	NA
+PJ090933	PDDDMYW 	C42H52N8O15S	940.3273	NA	PeJP	NA	NA
+PJ090934	SSSMMMMH 	C35H60N10O12S4	940.3275	NA	PeJP	NA	NA
+PJ090935	GGGGPTCMMM 	C35H60N10O12S4	940.3276	NA	PeJP	NA	NA
+PJ090936	GCNNEMHH 	C35H52N14O13S2	940.328	NA	PeJP	NA	NA
+PJ090937	CCQMFFY 	C43H56N8O10S3	940.3282	NA	PeJP	NA	NA
+PJ090938	NEEEEEY 	C38H52N8O20	940.3298	NA	PeJP	NA	NA
+PJ090939	SEEEMMW 	C39H56N8O15S2	940.3307	NA	PeJP	NA	NA
+PJ090940	GCCCDERR 	C32H56N14O13S3	940.3314	NA	PeJP	NA	NA
+PJ090941	PDMMMMW 	C40H60N8O10S4	940.3316	NA	PeJP	NA	NA
+PJ090942	GCCNNHFF 	C40H52N12O11S2	940.332	NA	PeJP	NA	NA
+PJ090943	GGGGGCCHFF 	C40H52N12O11S2	940.3321	NA	PeJP	NA	NA
+PJ090944	SSTEEEEM 	C35H56N8O20S	940.3332	NA	PeJP	NA	NA
+PJ090945	AAEEEMMM 	C36H60N8O15S3	940.3341	NA	PeJP	NA	NA
+PJ090946	GSSSSCNNW 	C36H52N12O16S	940.3345	NA	PeJP	NA	NA
+PJ090947	GGGGGGGNDMY 	C36H52N12O16S	940.3346	NA	PeJP	NA	NA
+PJ090948	PPTCMMMM 	C37H64N8O10S5	940.3349	NA	PeJP	NA	NA
+MJ098224	Asperchrome B1 	C37H58FeN9O16	940.335093	NA	MeJP	NA	NA
+PJ090949	CCNEMRW 	C37H56N12O11S3	940.3354	NA	PeJP	NA	NA
+PJ090950	GTCCWWW 	C45H52N10O9S2	940.336	NA	PeJP	NA	NA
+MJ098225	Antibiotic BE 13793X 	C47H56O20	940.336494	NA	MeJP	NA	NA
+MJ098226	Antibiotic FD 594 	C47H56O20	940.336494	NA	MeJP	NA	NA
+MJ098227	Antibiotic MSO 901809 	C47H56O20	940.336494	NA	MeJP	NA	NA
+PJ090951	GSSSSSSNND 	C32H52N12O21	940.337	NA	PeJP	NA	NA
+PJ090952	SSCNDEMR 	C33H56N12O16S2	940.3379	NA	PeJP	NA	NA
+PJ090953	GSSSCEWW 	C41H52N10O14S	940.3386	NA	PeJP	NA	NA
+PJ090954	SPCCNMMR 	C34H60N12O11S4	940.3388	NA	PeJP	NA	NA
+PJ090955	GCCNDHHR 	C34H52N16O12S2	940.3393	NA	PeJP	NA	NA
+PJ090956	GCQMMWW 	C42H56N10O9S3	940.3394	NA	PeJP	NA	NA
+PJ090957	GSSSSSDEW 	C37H52N10O19	940.341	NA	PeJP	NA	NA
+PJ090958	GSSSSTDDW 	C37H52N10O19	940.3411	NA	PeJP	NA	NA
+PJ090959	GSSNEMMW 	C38H56N10O14S2	940.3419	NA	PeJP	NA	NA
+PJ090960	GSCYYYW 	C46H52N8O12S	940.3426	NA	PeJP	NA	NA
+PJ090961	APCCCKMW 	C39H60N10O9S4	940.3428	NA	PeJP	NA	NA
+PJ090962	CNNMHHW 	C39H52N14O10S2	940.3433	NA	PeJP	NA	NA
+PJ090963	GSSSSQEEM 	C34H56N10O19S	940.3444	NA	PeJP	NA	NA
+PJ090964	GEEEEYW 	C42H52N8O17	940.3451	NA	PeJP	NA	NA
+PJ090965	DEEMMMR 	C35H60N10O14S3	940.3453	NA	PeJP	NA	NA
+PJ090966	SSNNDMHH 	C35H52N14O15S	940.3458	NA	PeJP	NA	NA
+PJ090967	PCEEMFW 	C43H56N8O12S2	940.3459	NA	PeJP	NA	NA
+PJ090968	PDDMMFW 	C43H56N8O12S2	940.346	NA	PeJP	NA	NA
+PJ090969	CCCDRRW 	C36H56N14O10S3	940.3466	NA	PeJP	NA	NA
+PJ090970	GGPCCCKHH 	C36H56N14O10S3	940.3467	NA	PeJP	NA	NA
+MJ098228	Hippocrateine III 	C46H56N2O19	940.347727	NA	MeJP	NA	NA
+PJ090971	SPCLDDEY 	C39H56N8O17S	940.3484	NA	PeJP	NA	NA
+PJ090972	GSPEEEMY 	C39H56N8O17S	940.3485	NA	PeJP	NA	NA
+PJ090973	SSCCDDRR 	C32H56N14O15S2	940.3491	NA	PeJP	NA	NA
+PJ090974	GGGGGSSTCCR 	C32H56N14O15S2	940.3492	NA	PeJP	NA	NA
+PJ090975	VDEMMMW 	C40H60N8O12S3	940.3493	NA	PeJP	NA	NA
+PJ090976	CNNNQYW 	C40H52N12O13S	940.3498	NA	PeJP	NA	NA
+PJ090977	PTCCCCRR 	C33H60N14O10S4	940.35	NA	PeJP	NA	NA
+PJ090978	GCCMRWW 	C41H56N12O8S3	940.3507	NA	PeJP	NA	NA
+PJ090979	ATTEEEMM 	C36H60N8O17S2	940.3518	NA	PeJP	NA	NA
+PJ090980	GSNDDDRY 	C36H52N12O18	940.3523	NA	PeJP	NA	NA
+PJ090981	APTEMMMM 	C37H64N8O12S4	940.3527	NA	PeJP	NA	NA
+PJ090982	GSSCDMRW 	C37H56N12O13S2	940.3532	NA	PeJP	NA	NA
+PJ090983	GSDDHHHH 	C37H48N16O14	940.3536	NA	PeJP	NA	NA
+PJ090984	SSSCWWW 	C45H52N10O11S	940.3538	NA	PeJP	NA	NA
+PJ090985	APCCHHHH 	C38H52N16O9S2	940.3545	NA	PeJP	NA	NA
+PJ090986	SSSSSNNQM 	C33H56N12O18S	940.3556	NA	PeJP	NA	NA
+PJ090987	GSSSSDDMR 	C33H56N12O18S	940.3557	NA	PeJP	NA	NA
+PJ090988	SSSSSDWW 	C41H52N10O16	940.3563	NA	PeJP	NA	NA
+PJ090989	GSNDMMMR 	C34H60N12O13S3	940.3565	NA	PeJP	NA	NA
+PJ090990	GGGGGGSCKMM 	C34H60N12O13S3	940.3566	NA	PeJP	NA	NA
+PJ090991	SSNMMWW 	C42H56N10O11S2	940.3572	NA	PeJP	NA	NA
+PJ090992	SSSSQEMW 	C38H56N10O16S	940.3597	NA	PeJP	NA	NA
+PJ090993	EEEYWW 	C46H52N8O14	940.3603	NA	PeJP	NA	NA
+PJ090994	SQQMMMW 	C39H60N10O11S3	940.3605	NA	PeJP	NA	NA
+PJ090995	GGTQMMMW 	C39H60N10O11S3	940.3606	NA	PeJP	NA	NA
+PJ090996	GSSCQHHW 	C39H52N14O12S	940.361	NA	PeJP	NA	NA
+PJ090997	GGGGGGGPCHW 	C39H52N14O12S	940.3611	NA	PeJP	NA	NA
+PJ090998	CCQFFFF 	C47H56N8O9S2	940.3612	NA	PeJP	NA	NA
+PJ090999	SSSSSTQEE 	C34H56N10O21	940.3622	NA	PeJP	NA	NA
+PJ091000	SSTQQEMM 	C35H60N10O16S2	940.363	NA	PeJP	NA	NA
+PJ091001	SSNDKEMM 	C35H60N10O16S2	940.3631	NA	PeJP	NA	NA
+PJ091002	GSSSSNEHH 	C35H52N14O17	940.3635	NA	PeJP	NA	NA
+PJ091003	GGGGGGGQEEH 	C35H52N14O17	940.3636	NA	PeJP	NA	NA
+PJ091004	SPEEMYW 	C43H56N8O14S	940.3637	NA	PeJP	NA	NA
+PJ091005	AAQQMMMM 	C36H64N10O11S4	940.3639	NA	PeJP	NA	NA
+PJ091006	GCCNNQFR 	C36H56N14O12S2	940.3644	NA	PeJP	NA	NA
+PJ091007	CCKMFFY 	C44H60N8O9S3	940.3646	NA	PeJP	NA	NA
+MJ098229	Antibiotic MC 034; 2A-Deoxy 	C49H61ClO16	940.364813	NA	MeJP	NA	NA
+MJ098230	Chlorothricin; O-De-Me 	C49H61ClO16	940.364813	NA	MeJP	NA	NA
+PJ091008	PCDHHFW 	C44H52N12O10S	940.3651	NA	PeJP	NA	NA
+PJ091009	DKEEEEY 	C39H56N8O19	940.3662	NA	PeJP	NA	NA
+PJ091010	SSSSSCNNR 	C32H56N14O17S	940.3669	NA	PeJP	NA	NA
+PJ091011	AAPEEMMY 	C40H60N8O14S2	940.3671	NA	PeJP	NA	NA
+PJ091012	GSSNNNYW 	C40H52N12O15	940.3675	NA	PeJP	NA	NA
+PJ091013	GGGGGSSNYW 	C40H52N12O15	940.3676	NA	PeJP	NA	NA
+PJ091014	GSCCEMRR 	C33H60N14O12S3	940.3678	NA	PeJP	NA	NA
+PJ091015	GPPMMMMF 	C41H64N8O9S4	940.368	NA	PeJP	NA	NA
+PJ091016	STCCRWW 	C41H56N12O10S2	940.3684	NA	PeJP	NA	NA
+PJ091017	CNFWWW 	C49H52N10O8S	940.3691	NA	PeJP	NA	NA
+PJ091018	TTTTEEEM 	C36H60N8O19S	940.3696	NA	PeJP	NA	NA
+PJ091019	ASLEEMMM 	C37H64N8O14S3	940.3704	NA	PeJP	NA	NA
+PJ091020	GTLEEMMM 	C37H64N8O14S3	940.3705	NA	PeJP	NA	NA
+PJ091021	SSSSCERW 	C37H56N12O15S	940.3709	NA	PeJP	NA	NA
+PJ091022	GGGGGGGPPPCE 	C37H56N12O15S	940.371	NA	PeJP	NA	NA
+PJ091023	GPLMMMMM 	C38H68N8O9S5	940.3713	NA	PeJP	NA	NA
+PJ091024	GSNEYWW 	C45H52N10O13	940.3716	NA	PeJP	NA	NA
+PJ091025	SCQMMRW 	C38H60N12O10S3	940.3718	NA	PeJP	NA	NA
+PJ091026	NEMHHHH 	C38H52N16O11S	940.3723	NA	PeJP	NA	NA
+PJ091027	ACMHFFW 	C46H56N10O8S2	940.3724	NA	PeJP	NA	NA
+PJ091028	SSSSSSDER 	C33H56N12O20	940.3734	NA	PeJP	NA	NA
+PJ091029	SSSNEMMR 	C34H60N12O15S2	940.3743	NA	PeJP	NA	NA
+PJ091030	SNNNNNQH 	C34H52N16O16	940.3747	NA	PeJP	NA	NA
+PJ091031	GNNNDDHR 	C34H52N16O16	940.3748	NA	PeJP	NA	NA
+PJ091032	GSSSTMWW 	C42H56N10O13S	940.3749	NA	PeJP	NA	NA
+PJ091033	GGGAAEMYW 	C42H56N10O13S	940.375	NA	PeJP	NA	NA
+PJ091034	NQMMMMR 	C35H64N12O10S4	940.3751	NA	PeJP	NA	NA
+PJ091035	GGQMMMMR 	C35H64N12O10S4	940.3752	NA	PeJP	NA	NA
+PJ091036	GSCNMHHR 	C35H56N16O11S2	940.3756	NA	PeJP	NA	NA
+PJ091037	GCKMMWW 	C43H60N10O8S3	940.3758	NA	PeJP	NA	NA
+PJ091038	CNHHHFF 	C43H52N14O9S	940.3763	NA	PeJP	NA	NA
+PJ091039	GSSSSTTEW 	C38H56N10O18	940.3774	NA	PeJP	NA	NA
+PJ091040	GGGSDKEEY 	C38H56N10O18	940.3775	NA	PeJP	NA	NA
+PJ091041	GSSDKMMW 	C39H60N10O13S2	940.3783	NA	PeJP	NA	NA
+PJ091042	SSSSNHHW 	C39H52N14O14	940.3788	NA	PeJP	NA	NA
+PJ091043	PPCEFYW 	C47H56N8O11S	940.379	NA	PeJP	NA	NA
+PJ091044	CCQKHHW 	C40H56N14O9S2	940.3797	NA	PeJP	NA	NA
+PJ091045	GSSSSKEEM 	C35H60N10O18S	940.3808	NA	PeJP	NA	NA
+PJ091046	GSSTTYYY 	C43H56N8O16	940.3814	NA	PeJP	NA	NA
+PJ091047	SVEEEYW 	C43H56N8O16	940.3815	NA	PeJP	NA	NA
+PJ091048	GSQKEMMM 	C36H64N10O13S3	940.3817	NA	PeJP	NA	NA
+PJ091049	GSCNNQRY 	C36H56N14O14S	940.3821	NA	PeJP	NA	NA
+PJ091050	CNDDRRY 	C36H56N14O14S	940.3822	NA	PeJP	NA	NA
+PJ091051	PVDMMYW 	C44H60N8O11S2	940.3823	NA	PeJP	NA	NA
+PJ091052	SPNDHWW 	C44H52N12O12	940.3828	NA	PeJP	NA	NA
+PJ091053	SCCMRRW 	C37H60N14O9S3	940.383	NA	PeJP	NA	NA
+PJ091054	CDHHHHR 	C37H52N18O10S	940.3835	NA	PeJP	NA	NA
+PJ091055	LQEEEMY 	C40H60N8O16S	940.3848	NA	PeJP	NA	NA
+PJ091056	SSSCDMRR 	C33H60N14O14S2	940.3855	NA	PeJP	NA	NA
+PJ091057	TLEMMMW 	C41H64N8O11S3	940.3857	NA	PeJP	NA	NA
+PJ091058	GNDMRYW 	C41H56N12O12S	940.3862	NA	PeJP	NA	NA
+PJ091059	CNMMMRR 	C34H64N14O9S4	940.3864	NA	PeJP	NA	NA
+PJ091060	SNYWWW 	C49H52N10O10	940.3868	NA	PeJP	NA	NA
+PJ091061	GMHHHHW 	C42H52N16O8S	940.3875	NA	PeJP	NA	NA
+PJ091062	STTLEEMM 	C37H64N8O16S2	940.3882	NA	PeJP	NA	NA
+PJ091063	GSSNEERY 	C37H56N12O17	940.3887	NA	PeJP	NA	NA
+PJ091064	GVLEMMMM 	C38H68N8O11S4	940.3891	NA	PeJP	NA	NA
+PJ091065	GSSSMMRW 	C38H60N12O12S2	940.3895	NA	PeJP	NA	NA
+PJ091066	GGGPTCMRY 	C38H60N12O12S2	940.3896	NA	PeJP	NA	NA
+PJ091067	GSTEHHHH 	C38H52N16O13	940.39	NA	PeJP	NA	NA
+PJ091068	QQMYWW 	C46H56N10O10S	940.3902	NA	PeJP	NA	NA
+PJ091069	GSSSSTEMR 	C34H60N12O17S	940.392	NA	PeJP	NA	NA
+PJ091070	GGGGSSSSSKM 	C34H60N12O17S	940.3921	NA	PeJP	NA	NA
+PJ091071	SSSSTTWW 	C42H56N10O15	940.3927	NA	PeJP	NA	NA
+PJ091072	GSTQMMMR 	C35H64N12O12S3	940.3929	NA	PeJP	NA	NA
+PJ091073	SSSCQHHR 	C35H56N16O13S	940.3934	NA	PeJP	NA	NA
+PJ091074	STCKMWW 	C43H60N10O10S2	940.3936	NA	PeJP	NA	NA
+PJ091075	GNNQHWW 	C43H52N14O11	940.394	NA	PeJP	NA	NA
+PJ091076	GGGGGQHWW 	C43H52N14O11	940.3941	NA	PeJP	NA	NA
+PJ091077	SSSSKEMW 	C39H60N10O15S	940.3961	NA	PeJP	NA	NA
+PJ091078	SPPEYYW 	C47H56N8O13	940.3967	NA	PeJP	NA	NA
+PJ091079	SQKMMMW 	C40H64N10O10S3	940.3969	NA	PeJP	NA	NA
+PJ091080	GGAPCKMMF 	C40H64N10O10S3	940.397	NA	PeJP	NA	NA
+PJ091081	PCNEHRW 	C40H56N14O11S	940.3974	NA	PeJP	NA	NA
+PJ091082	CCKFFFF 	C48H60N8O8S2	940.3976	NA	PeJP	NA	NA
+PJ091083	EHHFWW 	C48H52N12O9	940.3981	NA	PeJP	NA	NA
+PJ091084	SSSTTTTQE 	C35H60N10O20	940.3985	NA	PeJP	NA	NA
+PJ091085	SSSSSTKEE 	C35H60N10O20	940.3986	NA	PeJP	NA	NA
+PJ091086	SSTQKEMM 	C36H64N10O15S2	940.3994	NA	PeJP	NA	NA
+PJ091087	SSSNNNRY 	C36H56N14O16	940.3999	NA	PeJP	NA	NA
+PJ091088	GGGGGGGGGGGPPT 	C36H56N14O16	940.4	NA	PeJP	NA	NA
+PJ091089	ALEEMYW 	C44H60N8O13S	940.4001	NA	PeJP	NA	NA
+PJ091090	LEMMMMR 	C37H68N10O10S4	940.4003	NA	PeJP	NA	NA
+PJ091091	GSPCCRRY 	C37H60N14O11S2	940.4008	NA	PeJP	NA	NA
+PJ091092	PVMMMFW 	C45H64N8O8S3	940.401	NA	PeJP	NA	NA
+PJ091093	CQRYWW 	C45H56N12O9S	940.4014	NA	PeJP	NA	NA
+PJ091094	GTTLEEEY 	C40H60N8O18	940.4026	NA	PeJP	NA	NA
+PJ091095	GPTLEMMY 	C41H64N8O13S2	940.4035	NA	PeJP	NA	NA
+PJ091096	SSNERYW 	C41H56N12O14	940.4039	NA	PeJP	NA	NA
+PJ091097	GGGVVDDHW 	C41H56N12O14	940.404	NA	PeJP	NA	NA
+PJ091098	GSTCMMRR 	C34H64N14O11S3	940.4042	NA	PeJP	NA	NA
+PJ091099	VLMMMMW 	C42H68N8O8S4	940.4043	NA	PeJP	NA	NA
+PJ091100	GNMMFRW 	C42H60N12O9S2	940.4048	NA	PeJP	NA	NA
+PJ091101	STHHHHW 	C42H52N16O10	940.4053	NA	PeJP	NA	NA
+PJ091102	SSLLEMMM 	C38H68N8O13S3	940.4068	NA	PeJP	NA	NA
+PJ091103	SSSSTMRW 	C38H60N12O14S	940.4073	NA	PeJP	NA	NA
+PJ091104	GTTQYWW 	C46H56N10O12	940.4079	NA	PeJP	NA	NA
+PJ091105	GSDKYWW 	C46H56N10O12	940.408	NA	PeJP	NA	NA
+PJ091106	SCKMMRW 	C39H64N12O9S3	940.4082	NA	PeJP	NA	NA
+PJ091107	CNQHHFR 	C39H56N16O10S	940.4086	NA	PeJP	NA	NA
+PJ091108	GGCQHHFR 	C39H56N16O10S	940.4087	NA	PeJP	NA	NA
+PJ091109	SSSSSTTER 	C34H60N12O19	940.4098	NA	PeJP	NA	NA
+PJ091110	SSSDKMMR 	C35H64N12O14S2	940.4107	NA	PeJP	NA	NA
+PJ091111	GSSSSSHHR 	C35H56N16O15	940.4111	NA	PeJP	NA	NA
+PJ091112	NDDEHRR 	C35H56N16O15	940.4112	NA	PeJP	NA	NA
+PJ091113	GQKEMYW 	C43H60N10O12S	940.4113	NA	PeJP	NA	NA
+PJ091114	NKMMMMR 	C36H68N12O9S4	940.4115	NA	PeJP	NA	NA
+PJ091115	GGKMMMMR 	C36H68N12O9S4	940.4116	NA	PeJP	NA	NA
+PJ091116	GNFFFFY 	C51H56N8O10	940.412	NA	PeJP	NA	NA
+PJ091117	GPCHRWW 	C44H56N14O8S	940.4127	NA	PeJP	NA	NA
+PJ091118	SSSSSSTLW 	C39H60N10O17	940.4138	NA	PeJP	NA	NA
+PJ091119	GGGGPPLEEE 	C39H60N10O17	940.4139	NA	PeJP	NA	NA
+PJ091120	GSTTKMMW 	C40H64N10O12S2	940.4147	NA	PeJP	NA	NA
+PJ091121	GQEEHRW 	C40H56N14O13	940.4152	NA	PeJP	NA	NA
+PJ091122	PPCLYYW 	C48H60N8O10S	940.4153	NA	PeJP	NA	NA
+PJ091123	PVDMFFW 	C48H60N8O10S	940.4154	NA	PeJP	NA	NA
+PJ091124	ACCFRRW 	C41H60N14O8S2	940.416	NA	PeJP	NA	NA
+PJ091125	GSSTTTKEM 	C36H64N10O17S	940.4172	NA	PeJP	NA	NA
+PJ091126	TTLEEYW 	C44H60N8O15	940.4178	NA	PeJP	NA	NA
+PJ091127	GAPLEEYY 	C44H60N8O15	940.4179	NA	PeJP	NA	NA
+PJ091128	GSKKEMMM 	C37H68N10O12S3	940.4181	NA	PeJP	NA	NA
+PJ091129	SNDMRRY 	C37H60N14O13S	940.4185	NA	PeJP	NA	NA
+PJ091130	GGGGGSCKRY 	C37H60N14O13S	940.4186	NA	PeJP	NA	NA
+PJ091131	PTLMMYW 	C45H64N8O10S2	940.4187	NA	PeJP	NA	NA
+PJ091132	GSSRYWW 	C45H56N12O11	940.4192	NA	PeJP	NA	NA
+PJ091133	VMMMHHR 	C38H64N14O8S3	940.4194	NA	PeJP	NA	NA
+PJ091134	SMHHHHR 	C38H56N18O9S	940.4199	NA	PeJP	NA	NA
+MJ098231	Rodorubicin 	C48H64N2O17	940.420498	NA	MeJP	NA	NA
+PJ091135	LKEEEMY 	C41H64N8O15S	940.4212	NA	PeJP	NA	NA
+PJ091136	SSSSMMRR 	C34H64N14O13S2	940.4219	NA	PeJP	NA	NA
+PJ091137	GPVLMMMY 	C42H68N8O10S3	940.4221	NA	PeJP	NA	NA
+PJ091138	ASQMRYW 	C42H60N12O11S	940.4225	NA	PeJP	NA	NA
+PJ091139	GTQMRYW 	C42H60N12O11S	940.4226	NA	PeJP	NA	NA
+PJ091140	QQFFWW 	C50H56N10O9	940.4232	NA	PeJP	NA	NA
+PJ091141	ASSSSSPRY 	C38H60N12O16	940.425	NA	PeJP	NA	NA
+PJ091142	GSSDKERY 	C38H60N12O16	940.4251	NA	PeJP	NA	NA
+PJ091143	ATLLMMMM 	C39H72N8O10S4	940.4255	NA	PeJP	NA	NA
+PJ091144	VNQMMRY 	C39H64N12O11S2	940.4259	NA	PeJP	NA	NA
+PJ091145	GGGGGCKKMF 	C39H64N12O11S2	940.426	NA	PeJP	NA	NA
+PJ091146	GDDHRRW 	C39H56N16O12	940.4264	NA	PeJP	NA	NA
+PJ091147	QKMYWW 	C47H60N10O9S	940.4266	NA	PeJP	NA	NA
+PJ091148	SSSSSSLMR 	C35H64N12O16S	940.4284	NA	PeJP	NA	NA
+PJ091149	STQKEYW 	C43H60N10O14	940.4291	NA	PeJP	NA	NA
+PJ091150	GSTKMMMR 	C36H68N12O11S3	940.4293	NA	PeJP	NA	NA
+PJ091151	GSPCEHRR 	C36H60N16O12S	940.4298	NA	PeJP	NA	NA
+PJ091152	AQKMMFW 	C44H64N10O9S2	940.4299	NA	PeJP	NA	NA
+PJ091153	GAAKMMFW 	C44H64N10O9S2	940.43	NA	PeJP	NA	NA
+MJ098232	3-Hydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[(2-Carboxy-1-carboxymethoxy-2-hydroxyethyl)-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C46H68O20	940.430394	NA	MeJP	NA	NA
+PJ091154	QEHRWW 	C44H56N14O10	940.4304	NA	PeJP	NA	NA
+PJ091155	SSTTTKMW 	C40H64N10O14S	940.4324	NA	PeJP	NA	NA
+PJ091156	NKKEEMY 	C40H64N10O14S	940.4325	NA	PeJP	NA	NA
+PJ091157	APLEYYW 	C48H60N8O12	940.4331	NA	PeJP	NA	NA
+PJ091158	SKKMMMW 	C41H68N10O9S3	940.4333	NA	PeJP	NA	NA
+PJ091159	GTCRRYW 	C41H60N14O10S	940.4338	NA	PeJP	NA	NA
+PJ091160	VQHWWW 	C49H56N12O8	940.4344	NA	PeJP	NA	NA
+PJ091161	GGLHWWW 	C49H56N12O8	940.4345	NA	PeJP	NA	NA
+PJ091162	SSSTTTTKE 	C36H64N10O19	940.4349	NA	PeJP	NA	NA
+PJ091163	SSTKKEMM 	C37H68N10O14S2	940.4358	NA	PeJP	NA	NA
+PJ091164	GSSSERRY 	C37H60N14O15	940.4363	NA	PeJP	NA	NA
+PJ091165	SLLEMYW 	C45H64N8O12S	940.4365	NA	PeJP	NA	NA
+PJ091166	AAKKMMMM 	C38H72N10O9S4	940.4367	NA	PeJP	NA	NA
+PJ091167	GQMMRRY 	C38H64N14O10S2	940.4372	NA	PeJP	NA	NA
+PJ091168	GSPNHHHR 	C38H56N18O11	940.4376	NA	PeJP	NA	NA
+PJ091169	GGGSPHHHR 	C38H56N18O11	940.4377	NA	PeJP	NA	NA
+PJ091170	CKRYWW 	C46H60N12O8S	940.4378	NA	PeJP	NA	NA
+PJ091171	SSTLLEEY 	C41H64N8O17	940.439	NA	PeJP	NA	NA
+PJ091172	SSPLLMMY 	C42H68N8O12S2	940.4398	NA	PeJP	NA	NA
+PJ091173	AALLEMMY 	C42H68N8O12S2	940.4399	NA	PeJP	NA	NA
+PJ091174	SSDKRYW 	C42H60N12O13	940.4403	NA	PeJP	NA	NA
+PJ091175	GGGGGGAAPPPF 	C42H60N12O13	940.4404	NA	PeJP	NA	NA
+PJ091176	NNNMHRR 	C35H60N18O11S	940.441	NA	PeJP	NA	NA
+PJ091177	ACKMFRW 	C43H64N12O8S2	940.4412	NA	PeJP	NA	NA
+PJ091178	VQHHHHF 	C43H56N16O9	940.4417	NA	PeJP	NA	NA
+PJ091179	TTTLLMMM 	C39H72N8O12S3	940.4432	NA	PeJP	NA	NA
+PJ091180	SQKEMRY 	C39H64N12O13S	940.4437	NA	PeJP	NA	NA
+PJ091181	GTTKYWW 	C47H60N10O11	940.4443	NA	PeJP	NA	NA
+PJ091182	GGPPLEWW 	C47H60N10O11	940.4444	NA	PeJP	NA	NA
+PJ091183	SPCHRRW 	C40H60N16O9S	940.445	NA	PeJP	NA	NA
+PJ091184	AHRWWW 	C48H56N14O7	940.4457	NA	PeJP	NA	NA
+PJ091185	SSSTTTTTR 	C35H64N12O18	940.4462	NA	PeJP	NA	NA
+MJ098233	Rifalazil 	C51H64N4O13	940.446988	NA	MeJP	NA	NA
+PJ091186	SSTTKMMR 	C36H68N12O13S2	940.4471	NA	PeJP	NA	NA
+PJ091187	SQEEHRR 	C36H60N16O14	940.4475	NA	PeJP	NA	NA
+PJ091188	GGGGGSKEHR 	C36H60N16O14	940.4476	NA	PeJP	NA	NA
+PJ091189	GKKEMYW 	C44H64N10O11S	940.4477	NA	PeJP	NA	NA
+PJ091190	PPTFFFW 	C52H60N8O9	940.4484	NA	PeJP	NA	NA
+PJ091191	GSTKKEEY 	C40H64N10O16	940.4502	NA	PeJP	NA	NA
+PJ091192	VLEMMRY 	C41H68N10O11S2	940.4511	NA	PeJP	NA	NA
+PJ091193	SSSRRYW 	C41H60N14O12	940.4515	NA	PeJP	NA	NA
+PJ091194	PPDDRRW 	C41H60N14O12	940.4516	NA	PeJP	NA	NA
+PJ091195	PVVMFYW 	C49H64N8O9S	940.4517	NA	PeJP	NA	NA
+PJ091196	AHHHHFR 	C42H56N18O8	940.4529	NA	PeJP	NA	NA
+PJ091197	SSSSTTLKM 	C37H68N10O16S	940.4536	NA	PeJP	NA	NA
+PJ091198	PLKEEYY 	C45H64N8O14	940.4542	NA	PeJP	NA	NA
+PJ091199	ATTKKMMM 	C38H72N10O11S3	940.4545	NA	PeJP	NA	NA
+PJ091200	STQMRRY 	C38H64N14O12S	940.4549	NA	PeJP	NA	NA
+PJ091201	GGGGGGPPVMR 	C38H64N14O12S	940.455	NA	PeJP	NA	NA
+PJ091202	VVLMMYW 	C46H68N8O9S2	940.4551	NA	PeJP	NA	NA
+PJ091203	APPERWW 	C46H60N12O10	940.4556	NA	PeJP	NA	NA
+PJ091204	ATTLLEMY 	C42H68N8O14S	940.4576	NA	PeJP	NA	NA
+PJ091205	GVLLMMMF 	C43H72N8O9S3	940.4585	NA	PeJP	NA	NA
+PJ091206	SDDHRRR 	C35H60N18O13	940.4588	NA	PeJP	NA	NA
+PJ091207	GTKMRYW 	C43H64N12O10S	940.4589	NA	PeJP	NA	NA
+PJ091208	GPPPTMRW 	C43H64N12O10S	940.459	NA	PeJP	NA	NA
+PJ091209	GPPLWWW 	C51H60N10O8	940.4596	NA	PeJP	NA	NA
+PJ091210	GSTTKERY 	C39H64N12O15	940.4614	NA	PeJP	NA	NA
+PJ091211	GGGGSSTKKY 	C39H64N12O15	940.4615	NA	PeJP	NA	NA
+2605	synthetic peptide inhibitors of (PEP)	IHPFAQTQ	940.462	NA	Inhouse_peptide	NA	peptide
+PJ091212	VNKMMRY 	C40H68N12O10S2	940.4623	NA	PeJP	NA	NA
+PJ091213	GTEHRRW 	C40H60N16O11	940.4628	NA	PeJP	NA	NA
+PJ091214	KKMYWW 	C48H64N10O8S	940.463	NA	PeJP	NA	NA
+PJ091215	SSSSSCKKK 	C36H68N12O15S	940.4648	NA	PeJP	NA	NA
+PJ091216	STKKEYW 	C44H64N10O13	940.4655	NA	PeJP	NA	NA
+PJ091217	TCCCKKKK 	C37H72N12O10S3	940.4657	NA	PeJP	NA	NA
+PJ091218	STCRRRY 	C37H64N16O11S	940.4662	NA	PeJP	NA	NA
+PJ091219	AKKMMFW 	C45H68N10O8S2	940.4663	NA	PeJP	NA	NA
+MJ098234	2,3-Dihydroxy-30-nor-12,20(29)-oleanadien-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], ?-D-glucopyranosyl ester 	C47H72O19	940.46678	NA	MeJP	NA	NA
+MJ098235	3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C47H72O19	940.46678	NA	MeJP	NA	NA
+MJ098236	Glaucogenin C; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C47H72O19	940.46678	NA	MeJP	NA	NA
+MJ098237	Glaucogenin C; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C47H72O19	940.46678	NA	MeJP	NA	NA
+PJ091220	KEHRWW 	C45H60N14O9	940.4668	NA	PeJP	NA	NA
+PJ091221	DKKKEMY 	C41H68N10O13S	940.4688	NA	PeJP	NA	NA
+PJ091222	GLLLEEMH 	C41H68N10O13S	940.4689	NA	PeJP	NA	NA
+PJ091223	SPLLYYW 	C49H64N8O11	940.4695	NA	PeJP	NA	NA
+PJ091224	LLMMMFR 	C42H72N10O8S3	940.4697	NA	PeJP	NA	NA
+PJ091225	SPKMHRW 	C42H64N14O9S	940.4702	NA	PeJP	NA	NA
+PJ091226	VKHWWW 	C50H60N12O7	940.4708	NA	PeJP	NA	NA
+PJ091227	STTTTTTTK 	C37H68N10O18	940.4713	NA	PeJP	NA	NA
+PJ091228	TTTTKKMM 	C38H72N10O13S2	940.4722	NA	PeJP	NA	NA
+PJ091229	GSTTTRRY 	C38H64N14O14	940.4727	NA	PeJP	NA	NA
+PJ091230	AAPLLMYY 	C46H68N8O11S	940.4729	NA	PeJP	NA	NA
+PJ091231	GKMMRRY 	C39H68N14O9S2	940.4736	NA	PeJP	NA	NA
+PJ091232	VQQHHHR 	C39H60N18O10	940.474	NA	PeJP	NA	NA
+PJ091233	TTTTLLEY 	C42H68N8O16	940.4754	NA	PeJP	NA	NA
+PJ091234	GTLLLMMY 	C43H72N8O11S2	940.4762	NA	PeJP	NA	NA
+PJ091235	STTKRYW 	C43H64N12O12	940.4767	NA	PeJP	NA	NA
+PJ091236	GEMHRRR 	C36H64N18O10S	940.4774	NA	PeJP	NA	NA
+PJ091237	THRRWW 	C44H60N16O8	940.478	NA	PeJP	NA	NA
+PJ091238	VKHHHHF 	C44H60N16O8	940.4781	NA	PeJP	NA	NA
+PJ091239	SKKEMRY 	C40H68N12O12S	940.4801	NA	PeJP	NA	NA
+PJ091240	PPVKEWW 	C48H64N10O10	940.4807	NA	PeJP	NA	NA
+PJ091241	GVMHRRW 	C41H64N16O8S	940.4814	NA	PeJP	NA	NA
+8312	Anticancer peptide	ENLLRFFVAPFPEVFG	940.48295	MH2+	Inhouse_peptide	NA	peptide
+PJ091242	SKEEHRR 	C37H64N16O13	940.4839	NA	PeJP	NA	NA
+PJ091243	GGGGGGGAAPKR 	C37H64N16O13	940.484	NA	PeJP	NA	NA
+PJ091244	SVKKMYW 	C45H68N10O10S	940.4841	NA	PeJP	NA	NA
+PJ091245	PVVFFFW 	C53H64N8O8	940.4848	NA	PeJP	NA	NA
+PJ091246	AQHHHRR 	C38H60N20O9	940.4853	NA	PeJP	NA	NA
+PJ091247	SSSLKKEY 	C41H68N10O15	940.4866	NA	PeJP	NA	NA
+PJ091248	LQKKMMY 	C42H72N10O10S2	940.4875	NA	PeJP	NA	NA
+PJ091249	PPTERRW 	C42H64N14O11	940.4879	NA	PeJP	NA	NA
+PJ091250	GGGAPLQRW 	C42H64N14O11	940.488	NA	PeJP	NA	NA
+PJ091251	VVLMFFW 	C50H68N8O8S	940.4881	NA	PeJP	NA	NA
+PJ091252	LLLQEYY 	C46H68N8O13	940.4906	NA	PeJP	NA	NA
+PJ091253	STKMRRY 	C39H68N14O11S	940.4913	NA	PeJP	NA	NA
+PJ091254	SPPLRWW 	C47H64N12O9	940.492	NA	PeJP	NA	NA
+PJ091255	MHRRRW 	C40H64N18O7S	940.4927	NA	PeJP	NA	NA
+PJ091256	STTLLLMY 	C43H72N8O13S	940.494	NA	PeJP	NA	NA
+PJ091257	STEHRRR 	C36H64N18O12	940.4952	NA	PeJP	NA	NA
+PJ091258	AAPPLMRW 	C44H68N12O9S	940.4953	NA	PeJP	NA	NA
+PJ091259	KKFFWW 	C52H64N10O7	940.496	NA	PeJP	NA	NA
+PJ091260	SSSTLKRY 	C40H68N12O14	940.4978	NA	PeJP	NA	NA
+PJ091261	GGAPLLEER 	C40H68N12O14	940.4979	NA	PeJP	NA	NA
+PJ091262	CLKKMRY 	C41H72N12O9S2	940.4987	NA	PeJP	NA	NA
+7706	pyrokinin TENMO-PK-2	SPPFAPRLG	940.499	antioxidative	Inhouse_peptide	NA	peptide
+PJ091263	SSLHRRW 	C41H64N16O10	940.4992	NA	PeJP	NA	NA
+PJ091264	SPPTLLQW 	C45H68N10O12	940.5018	NA	PeJP	NA	NA
+PJ091265	APPTLKEW 	C45H68N10O12	940.5019	NA	PeJP	NA	NA
+PJ091266	TLQMHRR 	C38H68N16O10S	940.5025	NA	PeJP	NA	NA
+PJ091267	PPEMRRR 	C38H68N16O10S	940.5026	NA	PeJP	NA	NA
+MJ098238	11,13(18)-Oleanadiene-3,23,28-triol; 3?-form, 28-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098239	12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098240	12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098241	12-Oleanene-3,22,24-triol, 22-Ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098242	13,28-Epoxy-11-oleanene-3,16,23-triol, 16-Ketone, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098243	13,28-Epoxy-11-oleanene-3,16,23-triol, 23-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098244	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-fucopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098245	3,21-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 21-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098246	3,22-Dihydroxy-18-oleanen-25-al, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098247	3,23-Dihydroxy-12,21-oleanadien-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098248	3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098249	3,23-Dihydroxy-9(11),12-oleanadien-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl]ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098250	3,26-Dihydroxycucurbita-5,20,24-trien-11-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098251	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098252	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098253	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098254	3-Hydroxycycloart-24-en-26,22-olide, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098255	Jujubogenin; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098256	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098257	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098258	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098259	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098260	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-L-Rhamnosyl-(1??)-[?-D-glucopyranosyl-(1??)]-?-D-glucuronopyranoside] 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098261	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinofuranosyl-(1?4)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098262	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098263	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+MJ098264	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O18	940.503165	NA	MeJP	NA	NA
+C08936	Colubrin	C48H76O18	940.5032	NA	KEGG	NA	NA
+C08962	Olaxoside	C48H76O18	940.5032	NA	KEGG	NA	NA
+C13837	Dehydrosoyasaponin I	C48H76O18	940.5032	NA	KEGG	NA	NA
+PJ091268	APKHFRW 	C46H64N14O8	940.5032	NA	PeJP	NA	NA
+MJ098265	Kabiramide C; 21-De-O-(aminocarbonyl), 21-Ac 	C49H72N4O14	940.504503	NA	MeJP	NA	NA
+PJ091269	GTTLKKMY 	C42H72N10O12S	940.5052	NA	PeJP	NA	NA
+PJ091270	ALLLYYW 	C50H68N8O10	940.5059	NA	PeJP	NA	NA
+PJ091271	PPVMRRW 	C43H68N14O8S	940.5066	NA	PeJP	NA	NA
+HMDB09929	PIP(16:0/20:3(5Z,8Z,11Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09930	PIP(16:0/20:3(8Z,11Z,14Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09952	PIP(18:0/18:3(6Z,9Z,12Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09953	PIP(18:0/18:3(9Z,12Z,15Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09963	PIP(18:1(11Z)/18:2(9Z,12Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09976	PIP(18:1(9Z)/18:2(9Z,12Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09985	PIP(18:2(9Z,12Z)/18:1(11Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09986	PIP(18:2(9Z,12Z)/18:1(9Z))	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09993	PIP(18:3(6Z,9Z,12Z)/18:0)	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB09996	PIP(18:3(9Z,12Z,15Z)/18:0)	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB10005	PIP(20:3(5Z,8Z,11Z)/16:0)	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+HMDB10010	PIP(20:3(8Z,11Z,14Z)/16:0)	C45H82O16P2	940.507812	NA	HMDB2010	NA	NA
+MJ098266	Cephalostatin 2; 9'-Deoxy, 8'-hydroxy, 9',11'-didehydro, 14'?,15'?-epoxide 	C54H72N2O12	940.508525	NA	MeJP	NA	NA
+PJ091272	AAPLEERR 	C39H68N14O13	940.5091	NA	PeJP	NA	NA
+PJ091273	AALLLMFY 	C47H72N8O10S	940.5093	NA	PeJP	NA	NA
+PJ091274	GPNRRRW 	C40H64N18O9	940.5104	NA	PeJP	NA	NA
+PJ091275	PVLLLEEE 	C43H72N8O15	940.5118	NA	PeJP	NA	NA
+PJ091276	PLLQERW 	C44H68N12O11	940.5131	NA	PeJP	NA	NA
+PJ091277	SVMHRRR 	C37H68N18O9S	940.5138	NA	PeJP	NA	NA
+PJ091278	GSCKKKKY 	C41H72N12O11S	940.5165	NA	PeJP	NA	NA
+PJ091279	PVLLQWW 	C49H68N10O9	940.5171	NA	PeJP	NA	NA
+MJ098267	7',8'-Dihydroneoxanthin-20'-al, 3'-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucopyranoside] 	C52H76O15	940.518421	NA	MeJP	NA	NA
+PJ091280	PVEERRR 	C38H68N16O12	940.5203	NA	PeJP	NA	NA
+PJ091281	GPPLLKMW 	C46H72N10O9S	940.5205	NA	PeJP	NA	NA
+PJ091282	AKHHHRR 	C39H64N20O8	940.5216	NA	PeJP	NA	NA
+PJ091283	STTTLKKY 	C42H72N10O14	940.523	NA	PeJP	NA	NA
+PJ091284	LKKKMMY 	C43H76N10O9S2	940.5239	NA	PeJP	NA	NA
+PJ091285	PVVERRW 	C43H68N14O10	940.5243	NA	PeJP	NA	NA
+PJ091286	LLLKEYY 	C47H72N8O12	940.527	NA	PeJP	NA	NA
+PJ091287	APPTLMRR 	C40H72N14O10S	940.5277	NA	PeJP	NA	NA
+PJ091288	APLLRWW 	C48H68N12O8	940.5284	NA	PeJP	NA	NA
+PJ091289	PNDKRRR 	C37H68N18O11	940.5315	NA	PeJP	NA	NA
+PJ091290	GGPDKRRR 	C37H68N18O11	940.5316	NA	PeJP	NA	NA
+PJ091291	VLKKMHW 	C45H72N12O8S	940.5317	NA	PeJP	NA	NA
+PJ091292	GPLLKEER 	C41H72N12O13	940.5342	NA	PeJP	NA	NA
+PJ091293	GGGGGGGALLLL 	C41H72N12O13	940.5343	NA	PeJP	NA	NA
+PJ091294	APQKRRW 	C42H68N16O9	940.5356	NA	PeJP	NA	NA
+PJ091295	SPPTLLKW 	C46H72N10O11	940.5382	NA	PeJP	NA	NA
+PJ091296	GPVLLKEW 	C46H72N10O11	940.5383	NA	PeJP	NA	NA
+PJ091297	TLKMHRR 	C39H72N16O9S	940.5389	NA	PeJP	NA	NA
+MJ098268	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O17	940.539551	NA	MeJP	NA	NA
+MJ098269	Pregn-5-ene-3,11,12,14,20-pentol, 12-O-(3-Methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O17	940.539551	NA	MeJP	NA	NA
+MJ098270	Pregnane-3,12,14,17,20-pentol, 20-Tigloyl, 12-Ac, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O17	940.539551	NA	MeJP	NA	NA
+PJ091298	TTLLLLMH 	C43H76N10O11S	940.5416	NA	PeJP	NA	NA
+PJ091299	AALLLFFF 	C51H72N8O9	940.5423	NA	PeJP	NA	NA
+PJ091300	SPNRRRR 	C36H68N20O10	940.5428	NA	PeJP	NA	NA
+MJ098271	Cephalostatin 2; 1'?-Methoxy, 9'-deoxy 	C55H76N2O11	940.544911	NA	MeJP	NA	NA
+MJ098272	Cephalostatin 2; 1?-Methoxy, 9'-deoxy 	C55H76N2O11	940.544911	NA	MeJP	NA	NA
+MJ098273	Cephalostatin 3 	C55H76N2O11	940.544911	NA	MeJP	NA	NA
+PJ091301	SPPTQKKR 	C40H72N14O12	940.5454	NA	PeJP	NA	NA
+PJ091302	GPTLLERR 	C40H72N14O12	940.5455	NA	PeJP	NA	NA
+PJ091303	GLHFRRR 	C41H68N18O8	940.5468	NA	PeJP	NA	NA
+PJ091304	PLLKERW 	C45H72N12O10	940.5495	NA	PeJP	NA	NA
+MJ098274	Foromacidin A; 3-Propanoyl, 4''-Ac 	C48H80N2O16	940.550784	NA	MeJP	NA	NA
+MJ098275	Foromacidin A; 4''-Propanoyl, 3-Ac 	C48H80N2O16	940.550784	NA	MeJP	NA	NA
+PJ091305	SPPLLKMR 	C42H76N12O10S	940.5529	NA	PeJP	NA	NA
+PJ091306	PVLLKWW 	C50H72N10O8	940.5535	NA	PeJP	NA	NA
+PJ091307	PQKKERR 	C39H72N16O11	940.5567	NA	PeJP	NA	NA
+PJ091308	LKKKMFF 	C47H76N10O8S	940.5569	NA	PeJP	NA	NA
+PJ091309	PVVLKKEE 	C43H76N10O13	940.5594	NA	PeJP	NA	NA
+PJ091310	PTLLRRW 	C44H72N14O9	940.5607	NA	PeJP	NA	NA
+PJ091311	PPLLLLEF 	C48H76N8O11	940.5634	NA	PeJP	NA	NA
+PJ091312	GPVLLMRR 	C41H76N14O9S	940.5641	NA	PeJP	NA	NA
+PJ091313	PLLLLLEM 	C45H80N8O11S	940.5668	NA	PeJP	NA	NA
+PJ091314	PTQKRRR 	C38H72N18O10	940.5679	NA	PeJP	NA	NA
+PJ091315	SPVLLKER 	C42H76N12O12	940.5706	NA	PeJP	NA	NA
+PJ091316	APKKRRW 	C43H72N16O8	940.5719	NA	PeJP	NA	NA
+PJ091317	PPLFRRR 	C43H72N16O8	940.572	NA	PeJP	NA	NA
+PJ091318	APTLLLKW 	C47H76N10O10	940.5746	NA	PeJP	NA	NA
+PJ091319	PLLMRRR 	C40H76N16O8S	940.5753	NA	PeJP	NA	NA
+PJ091320	PVLLLQKM 	C44H80N10O10S	940.578	NA	PeJP	NA	NA
+PJ091321	GLQRRRR 	C37H72N20O9	940.5792	NA	PeJP	NA	NA
+PJ091322	SSPLLLRR 	C41H76N14O11	940.5818	NA	PeJP	NA	NA
+PJ091323	AALLLERR 	C41H76N14O11	940.5819	NA	PeJP	NA	NA
+PJ091324	VLLLLLEE 	C45H80N8O13	940.5845	NA	PeJP	NA	NA
+PJ091325	LLLLQRW 	C46H76N12O9	940.5859	NA	PeJP	NA	NA
+PJ091326	APLLLKMR 	C43H80N12O9S	940.5892	NA	PeJP	NA	NA
+PJ091327	AARRRRR 	C36H72N22O8	940.5904	NA	PeJP	NA	NA
+PJ091328	VLLERRR 	C40H76N16O10	940.5931	NA	PeJP	NA	NA
+PJ091329	PTLLLKKE 	C44H80N10O12	940.5958	NA	PeJP	NA	NA
+PJ091330	VVLLRRW 	C45H76N14O8	940.5971	NA	PeJP	NA	NA
+PJ091331	PPLLLLLY 	C49H80N8O10	940.5998	NA	PeJP	NA	NA
+PJ091332	PTKKRRR 	C39H76N18O9	940.6043	NA	PeJP	NA	NA
+PJ091333	GLLLLKER 	C43H80N12O11	940.607	NA	PeJP	NA	NA
+PJ091334	GVLLLLKW 	C48H80N10O9	940.611	NA	PeJP	NA	NA
+PJ091335	PVLLLKKM 	C45H84N10O9S	940.6144	NA	PeJP	NA	NA
+PJ091336	AVKRRRR 	C38H76N20O8	940.6155	NA	PeJP	NA	NA
+PJ091337	GLKRRRR 	C38H76N20O8	940.6156	NA	PeJP	NA	NA
+PJ091338	GTLLLLRR 	C42H80N14O10	940.6182	NA	PeJP	NA	NA
+PJ091339	LLLLKRW 	C47H80N12O8	940.6222	NA	PeJP	NA	NA
+PJ091340	LLQKKRR 	C41H80N16O9	940.6295	NA	PeJP	NA	NA
+PJ091341	TLLLLLQK 	C45H84N10O11	940.6321	NA	PeJP	NA	NA
+PJ091342	VVLLLKKE 	C45H84N10O11	940.6322	NA	PeJP	NA	NA
+PJ091343	PLLLLLLF 	C50H84N8O9	940.6362	NA	PeJP	NA	NA
+PJ091344	LLLLLLLM 	C47H88N8O9S	940.6395	NA	PeJP	NA	NA
+PJ091345	VVKKRRR 	C40H80N18O8	940.6407	NA	PeJP	NA	NA
+PJ091346	SVLLLLKR 	C44H84N12O10	940.6434	NA	PeJP	NA	NA
+PJ091347	GVLLKKKR 	C43H84N14O9	940.6546	NA	PeJP	NA	NA
+C04150	beta-D-Mannosylphosphodecaprenol	C56H93O9P	940.6557	NA	KEGG	NA	NA
+C04152	rRNA containing N1-methylguanine	C11H16N5O8P	940.6557	NA	KEGG	NA	NA
+C04153	rRNA containing N2-methylguanine	C11H16N5O8P	940.6557	NA	KEGG	NA	NA
+C04154	rRNA containing N6-methyladenine	C11H16N5O7P	940.6557	NA	KEGG	NA	NA
+C04155	tRNA containing 5-methylcytosine	C10H16N3O8P	940.6557	NA	KEGG	NA	NA
+C04156	tRNA containing N1-methyladenine	C11H16N5O7P	940.6557	NA	KEGG	NA	NA
+C04157	tRNA containing N1-methylguanine	C11H16N5O8P	940.6557	NA	KEGG	NA	NA
+C04158	tRNA containing N2-methylguanine	C11H16N5O8P	940.6557	NA	KEGG	NA	NA
+C04159	tRNA containing N6-methyladenine	C11H16N5O7P	940.6557	NA	KEGG	NA	NA
+C04160	tRNA containing N7-methylguanine	C11H16N5O8P	940.6557	NA	KEGG	NA	NA
+C04161	tRNA containing a thionucleotide	C11H16N5O8P	940.6557	NA	KEGG	NA	NA
+MetaCyc04334	&beta;-D-mannosylphosphodecaprenol []	C56H93O9P1	940.655721	NA	metacyc	NA	NA
+PJ091348	LLKKKRR 	C42H84N16O8	940.6658	NA	PeJP	NA	NA
+PJ091349	TLLLLLKK 	C46H88N10O10	940.6685	NA	PeJP	NA	NA
+PJ091350	ALLLKKKK 	C45H88N12O9	940.6798	NA	PeJP	NA	NA
+HMDB05457	TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	C61H112O6	940.845886	NA	HMDB2010	NA	NA
+HMDB05468	TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6]	C61H112O6	940.845886	NA	HMDB2010	NA	NA
+HMDB10466	TG(18:1(9Z)/18:1(9Z)/22:1(13Z))[iso3]	C61H112O6	940.845886	NA	HMDB2010	NA	NA
+HMDB05457	TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	C61H112O6	940.84589	http://www.hmdb.ca/metabolites/HMDB05457	HMDB	NA	NA
+HMDB05468	TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6]	C61H112O6	940.84589	http://www.hmdb.ca/metabolites/HMDB05468	HMDB	NA	NA
+HMDB05457	TG(18:1(9Z)/20:1(11Z)/20:1(11Z))[iso3]	C61H112O6	940.84589	HMDB05457	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05468	TG(18:2(9Z,12Z)/20:0/20:1(11Z))[iso6]	C61H112O6	940.84589	HMDB05468	PFEM_hmdb_metabocards_official	NA	NA
+2944	NA	FGGFTGARKSALKWDNQ	940.9659	MH2+	Inhouse_peptide	NA	peptide
+2598	tachylepsin II from homocytes of horse shoe crab	RWCFRVCYRGICYRRCR~	941.034	MH2+	Inhouse_peptide	NA	peptide
+C00566	(3S)-Citryl-CoA	C27H42N7O22P3S	941.1316	NA	KEGG	NA	NA
+MJ098276	(3S)-Citryl-CoA 	C27H42N7O22P3S	941.131646	NA	MeJP	NA	NA
+MetaCyc04335	(3S)-citryl-CoA [citryl-CoA;]	C27H42N7O22P3S1	941.131646	NA	metacyc	NA	NA
+PJ091351	SCCCCCCCD 	C28H47N9O13S7	941.1339	NA	PeJP	NA	NA
+PJ091352	ACCCCCCCM 	C29H51N9O10S8	941.1525	NA	PeJP	NA	NA
+PJ091353	TTCCCCCCC 	C29H51N9O12S7	941.1702	NA	PeJP	NA	NA
+PJ091354	SSCCCCCCM 	C29H51N9O12S7	941.1703	NA	PeJP	NA	NA
+PJ091355	CCCCCNMY 	C33H51N9O11S6	941.2033	NA	PeJP	NA	NA
+PJ091356	GSCCCCDDH 	C31H47N11O15S4	941.2136	NA	PeJP	NA	NA
+PJ091357	APCCCCCCH 	C32H51N11O10S6	941.2145	NA	PeJP	NA	NA
+PJ091358	GPCCCDDDD 	C32H47N9O18S3	941.2202	NA	PeJP	NA	NA
+PJ091359	GSTCCCCCY 	C33H51N9O13S5	941.221	NA	PeJP	NA	NA
+PJ091360	CCCCNEMH 	C32H51N11O12S5	941.2323	NA	PeJP	NA	NA
+PJ091361	CCCCCNFF 	C37H51N9O10S5	941.2363	NA	PeJP	NA	NA
+PJ091362	CNDDDDDM 	C32H47N9O20S2	941.2379	NA	PeJP	NA	NA
+PJ091363	SSSSCCCCY 	C33H51N9O15S4	941.2388	NA	PeJP	NA	NA
+PJ091364	CCCCCDHR 	C31H51N13O11S5	941.2435	NA	PeJP	NA	NA
+PJ091365	GCCCCMHW 	C36H51N11O9S5	941.2475	NA	PeJP	NA	NA
+PJ091366	GSCCNNDDD 	C31H47N11O19S2	941.2492	NA	PeJP	NA	NA
+PJ091367	GSSCCCDMH 	C32H51N11O14S4	941.25	NA	PeJP	NA	NA
+PJ091368	GCCDDDEW 	C36H47N9O17S2	941.2532	NA	PeJP	NA	NA
+PJ091369	GCCCCQYY 	C37H51N9O12S4	941.254	NA	PeJP	NA	NA
+PJ091370	GSSCDDDDE 	C32H47N9O22S	941.2557	NA	PeJP	NA	NA
+PJ091371	ASPCCCDDE 	C33H51N9O17S3	941.2565	NA	PeJP	NA	NA
+PJ091372	GSPCCDDDM 	C33H51N9O17S3	941.2566	NA	PeJP	NA	NA
+PJ091373	GPPCCCCEM 	C34H55N9O12S5	941.2574	NA	PeJP	NA	NA
+PJ091374	STCCCCHW 	C36H51N11O11S4	941.2653	NA	PeJP	NA	NA
+PJ091375	SSSSCCCEH 	C32H51N11O16S3	941.2678	NA	PeJP	NA	NA
+PJ091376	CCDDDWW 	C40H47N9O14S2	941.2684	NA	PeJP	NA	NA
+PJ091377	SCCCQMMH 	C33H55N11O11S5	941.2686	NA	PeJP	NA	NA
+PJ091378	GGTCCCMMH 	C33H55N11O11S5	941.2687	NA	PeJP	NA	NA
+PJ091379	SSCDDDDW 	C36H47N9O19S	941.2709	NA	PeJP	NA	NA
+PJ091380	SPCCCDEW 	C37H51N9O14S3	941.2718	NA	PeJP	NA	NA
+PJ091381	PPCCCCMW 	C38H55N9O9S5	941.2727	NA	PeJP	NA	NA
+PJ091382	SSSSDDDDD 	C32H47N9O24	941.2734	NA	PeJP	NA	NA
+PJ091383	SNDDDDMM 	C33H51N9O19S2	941.2743	NA	PeJP	NA	NA
+PJ091384	PCCNDEMM 	C34H55N9O14S4	941.2752	NA	PeJP	NA	NA
+PJ091385	CCCNNDDR 	C31H51N13O15S3	941.279	NA	PeJP	NA	NA
+PJ091386	CCEMMYY 	C39H55N7O12S4	941.2792	NA	PeJP	NA	NA
+PJ091387	SCCCCMHR 	C32H55N13O10S5	941.2799	NA	PeJP	NA	NA
+PJ091388	GCCNNDMW 	C36H51N11O13S3	941.283	NA	PeJP	NA	NA
+PJ091389	GGGGGCCDMW 	C36H51N11O13S3	941.2831	NA	PeJP	NA	NA
+PJ091390	SCCDDDER 	C32H51N11O18S2	941.2855	NA	PeJP	NA	NA
+PJ091391	GGGGGSSCDDM 	C32H51N11O18S2	941.2856	NA	PeJP	NA	NA
+PJ091392	PCCCDDMR 	C33H55N11O13S4	941.2864	NA	PeJP	NA	NA
+PJ091393	GNDDDDEY 	C36H47N9O21	941.2887	NA	PeJP	NA	NA
+PJ091394	GSCDDEMW 	C37H51N9O16S2	941.2896	NA	PeJP	NA	NA
+PJ091395	GPCCDMMW 	C38H55N9O11S4	941.2904	NA	PeJP	NA	NA
+PJ091396	GSSSDDDEM 	C33H51N9O21S	941.2921	NA	PeJP	NA	NA
+PJ091397	GNDDEMMM 	C34H55N9O16S3	941.2929	NA	PeJP	NA	NA
+PJ091398	SCNDDDHH 	C34H47N13O17S	941.2934	NA	PeJP	NA	NA
+PJ091399	CCDEFYY 	C42H51N7O14S2	941.2936	NA	PeJP	NA	NA
+PJ091400	GPPTCCCMM 	C35H59N9O11S5	941.2938	NA	PeJP	NA	NA
+PJ091401	PCCCNEHH 	C35H51N13O12S3	941.2943	NA	PeJP	NA	NA
+PJ091402	SSSCCNNNN 	C31H51N13O17S2	941.2968	NA	PeJP	NA	NA
+PJ091403	GSPCCCCNR 	C32H55N13O12S4	941.2976	NA	PeJP	NA	NA
+PJ091404	GGGSPCCCCR 	C32H55N13O12S4	941.2977	NA	PeJP	NA	NA
+PJ091405	CCCNQWW 	C40H51N11O10S3	941.2983	NA	PeJP	NA	NA
+PJ091406	PNDDDDDH 	C35H47N11O20	941.2999	NA	PeJP	NA	NA
+PJ091407	SSCCNNEW 	C36H51N11O15S2	941.3008	NA	PeJP	NA	NA
+PJ091408	GCCNMMHF 	C37H55N11O10S4	941.3017	NA	PeJP	NA	NA
+PJ091409	SSSSCNNDE 	C32H51N11O20S	941.3033	NA	PeJP	NA	NA
+PJ091410	NDDDDYW 	C40H47N9O18	941.3039	NA	PeJP	NA	NA
+PJ091411	GGDDDDYW 	C40H47N9O18	941.304	NA	PeJP	NA	NA
+PJ091412	GCDDDMMR 	C33H55N11O15S3	941.3042	NA	PeJP	NA	NA
+PJ091413	SCDDMWW 	C41H51N9O13S2	941.3048	NA	PeJP	NA	NA
+PJ091414	SCCCKMMH 	C34H59N11O10S5	941.305	NA	PeJP	NA	NA
+PJ091415	SSSDDDMW 	C37H51N9O18S	941.3073	NA	PeJP	NA	NA
+PJ091416	NDDMMMW 	C38H55N9O13S3	941.3082	NA	PeJP	NA	NA
+PJ091417	GPCCCHHW 	C39H51N13O9S3	941.3095	NA	PeJP	NA	NA
+PJ091418	SSSSSDDEE 	C33H51N9O23	941.3098	NA	PeJP	NA	NA
+PJ091419	SSNDEEMM 	C34H55N9O18S2	941.3107	NA	PeJP	NA	NA
+PJ091420	SCDEYYY 	C42H51N7O16S	941.3113	NA	PeJP	NA	NA
+PJ091421	SPCNEMMM 	C35H59N9O13S4	941.3116	NA	PeJP	NA	NA
+PJ091422	CCNNNNNF 	C35H51N13O14S2	941.312	NA	PeJP	NA	NA
+PJ091423	GGGGGGGGCCNF 	C35H51N13O14S2	941.3121	NA	PeJP	NA	NA
+PJ091424	PCCMYYY 	C43H55N7O11S3	941.3122	NA	PeJP	NA	NA
+PJ091425	MMMMMMH 	C36H63N9O8S6	941.3124	NA	PeJP	NA	NA
+PJ091426	ACCCCHFR 	C36H55N13O9S4	941.3129	NA	PeJP	NA	NA
+PJ091427	DEEEEEY 	C38H51N7O21	941.3138	NA	PeJP	NA	NA
+PJ091428	SCCNNDMR 	C32H55N13O14S3	941.3154	NA	PeJP	NA	NA
+PJ091429	TCMMMYY 	C40H59N7O11S4	941.3156	NA	PeJP	NA	NA
+PJ091430	GSSCCNWW 	C40H51N11O12S2	941.316	NA	PeJP	NA	NA
+PJ091431	GGGSSCCWW 	C40H51N11O12S2	941.3161	NA	PeJP	NA	NA
+MJ098277	Pepticinnamin; Pepticinnamin F 	C49H53Cl2N5O10	941.316948	NA	MeJP	NA	NA
+PJ091432	GSSSSCNDW 	C36H51N11O17S	941.3185	NA	PeJP	NA	NA
+PJ091433	GGGSSSSCDW 	C36H51N11O17S	941.3186	NA	PeJP	NA	NA
+PJ091434	CCDEMRW 	C37H55N11O12S3	941.3194	NA	PeJP	NA	NA
+PJ091435	GSSSSSSNDD 	C32H51N11O22	941.321	NA	PeJP	NA	NA
+PJ091436	GGGSSSSSSDD 	C32H51N11O22	941.3211	NA	PeJP	NA	NA
+PJ091437	SSCDDEMR 	C33H55N11O17S2	941.3219	NA	PeJP	NA	NA
+PJ091438	GSPCDDYW 	C41H51N9O15S	941.3226	NA	PeJP	NA	NA
+PJ091439	SPCCDMMR 	C34H59N11O12S4	941.3228	NA	PeJP	NA	NA
+PJ091440	GCCDDHHR 	C34H51N15O13S2	941.3233	NA	PeJP	NA	NA
+PJ091441	GCEMMWW 	C42H55N9O10S3	941.3234	NA	PeJP	NA	NA
+PJ091442	GSNDEEEY 	C37H51N9O20	941.3251	NA	PeJP	NA	NA
+PJ091443	GSSDEMMW 	C38H55N9O15S2	941.3259	NA	PeJP	NA	NA
+PJ091444	GGGPDDMMY 	C38H55N9O15S2	941.326	NA	PeJP	NA	NA
+PJ091445	GSPCMMMW 	C39H59N9O10S4	941.3268	NA	PeJP	NA	NA
+PJ091446	CNDMHHW 	C39H51N13O11S2	941.3273	NA	PeJP	NA	NA
+PJ091447	GSSSSEEEM 	C34H55N9O20S	941.3284	NA	PeJP	NA	NA
+PJ091448	GSQEEMMM 	C35H59N9O15S3	941.3293	NA	PeJP	NA	NA
+PJ091449	SCNNNNNY 	C35H51N13O16S	941.3298	NA	PeJP	NA	NA
+PJ091450	GDMMYYY 	C43H55N7O13S2	941.33	NA	PeJP	NA	NA
+PJ091451	GPNMMMMM 	C36H63N9O10S5	941.3302	NA	PeJP	NA	NA
+PJ091452	GSCCCQRW 	C36H55N13O11S3	941.3307	NA	PeJP	NA	NA
+PJ091453	EEEEEMF 	C39H55N7O18S	941.3325	NA	PeJP	NA	NA
+PJ091454	GSSSCCNER 	C32H55N13O16S2	941.3332	NA	PeJP	NA	NA
+PJ091455	CNNNEYW 	C40H51N11O14S	941.3338	NA	PeJP	NA	NA
+PJ091456	GCCNQMMR 	C33H59N13O11S4	941.334	NA	PeJP	NA	NA
+PJ091457	CCCNKWW 	C41H55N11O9S3	941.3347	NA	PeJP	NA	NA
+PJ091458	GSDDDDRY 	C36H51N11O19	941.3363	NA	PeJP	NA	NA
+PJ091459	SSSCNQMW 	C37H55N11O14S2	941.3372	NA	PeJP	NA	NA
+PJ091460	GCDEFWW 	C45H51N9O12S	941.3378	NA	PeJP	NA	NA
+PJ091461	ACCCKMHF 	C38H59N11O9S4	941.3381	NA	PeJP	NA	NA
+PJ091462	CMMWWW 	C46H55N9O7S3	941.3387	NA	PeJP	NA	NA
+PJ091463	SSSSSNNEM 	C33H55N11O19S	941.3397	NA	PeJP	NA	NA
+PJ091464	SNDEEYW 	C41H51N9O17	941.3403	NA	PeJP	NA	NA
+PJ091465	SVCCDEMR 	C34H59N11O14S3	941.3405	NA	PeJP	NA	NA
+PJ091466	GSDDMMMR 	C34H59N11O14S3	941.3406	NA	PeJP	NA	NA
+PJ091467	GSSSCNNHH 	C34H51N15O15S	941.341	NA	PeJP	NA	NA
+PJ091468	SSDMMWW 	C42H55N9O12S2	941.3412	NA	PeJP	NA	NA
+PJ091469	APCCMMMR 	C35H63N11O9S5	941.3414	NA	PeJP	NA	NA
+PJ091470	SPCCCHHR 	C35H55N15O10S3	941.3419	NA	PeJP	NA	NA
+PJ091471	ACCHHWW 	C43H51N13O8S2	941.3425	NA	PeJP	NA	NA
+PJ091472	SSSSEEMW 	C38H55N9O17S	941.3437	NA	PeJP	NA	NA
+PJ091473	GDDFYYY 	C46H51N7O15	941.3443	NA	PeJP	NA	NA
+PJ091474	SQEMMMW 	C39H59N9O12S3	941.3446	NA	PeJP	NA	NA
+PJ091475	GSSCEHHW 	C39H51N13O13S	941.345	NA	PeJP	NA	NA
+PJ091476	GGGPCNDHW 	C39H51N13O13S	941.3451	NA	PeJP	NA	NA
+PJ091477	PCCFFYY 	C47H55N7O10S2	941.3452	NA	PeJP	NA	NA
+PJ091478	GCCCNMRR 	C32H59N15O10S4	941.3453	NA	PeJP	NA	NA
+PJ091479	CMMHHHF 	C40H55N13O8S3	941.3459	NA	PeJP	NA	NA
+PJ091480	SSSSSTEEE 	C34H55N9O22	941.3462	NA	PeJP	NA	NA
+PJ091481	SSTQEEMM 	C35H59N9O17S2	941.3471	NA	PeJP	NA	NA
+PJ091482	GSSSSDEHH 	C35H51N13O18	941.3475	NA	PeJP	NA	NA
+PJ091483	GGGNNEEEH 	C35H51N13O18	941.3476	NA	PeJP	NA	NA
+PJ091484	SSEMYYY 	C43H55N7O15S	941.3477	NA	PeJP	NA	NA
+PJ091485	AAQEMMMM 	C36H63N9O12S4	941.3479	NA	PeJP	NA	NA
+PJ091486	GGGVEMMMM 	C36H63N9O12S4	941.348	NA	PeJP	NA	NA
+PJ091487	SSSCCNRW 	C36H55N13O13S2	941.3484	NA	PeJP	NA	NA
+PJ091488	GMMMFYY 	C44H59N7O10S3	941.3486	NA	PeJP	NA	NA
+PJ091489	GCNNYWW 	C44H51N11O11S	941.3491	NA	PeJP	NA	NA
+PJ091490	SSSSSCNDR 	C32H55N13O18S	941.3509	NA	PeJP	NA	NA
+PJ091491	GSSNNDYW 	C40H51N11O16	941.3516	NA	PeJP	NA	NA
+PJ091492	SSCNNMMR 	C33H59N13O13S3	941.3518	NA	PeJP	NA	NA
+PJ091493	PCCDRYW 	C41H55N11O11S2	941.3524	NA	PeJP	NA	NA
+PJ091494	GGGGGACMFW 	C41H55N11O11S2	941.3525	NA	PeJP	NA	NA
+PJ091495	CDFWWW 	C49H51N9O9S	941.3531	NA	PeJP	NA	NA
+PJ091496	GSSSSSNMW 	C37H55N11O16S	941.3549	NA	PeJP	NA	NA
+PJ091497	GGGGGGGTEMY 	C37H55N11O16S	941.355	NA	PeJP	NA	NA
+PJ091498	GSDEYWW 	C45H51N9O14	941.3556	NA	PeJP	NA	NA
+PJ091499	SCEMMRW 	C38H59N11O11S3	941.3558	NA	PeJP	NA	NA
+PJ091500	GCNNNHHF 	C38H51N15O12S	941.3563	NA	PeJP	NA	NA
+PJ091501	PTCCFWW 	C46H55N9O9S2	941.3564	NA	PeJP	NA	NA
+PJ091502	GPCMYWW 	C46H55N9O9S2	941.3565	NA	PeJP	NA	NA
+PJ091503	GSSSSSSSQE 	C33H55N11O21	941.3574	NA	PeJP	NA	NA
+PJ091504	SSSDEMMR 	C34H59N11O16S2	941.3583	NA	PeJP	NA	NA
+PJ091505	GNNDDDHR 	C34H51N15O17	941.3588	NA	PeJP	NA	NA
+PJ091506	VCEEHYY 	C42H55N9O14S	941.3589	NA	PeJP	NA	NA
+PJ091507	GQEEMYW 	C42H55N9O14S	941.359	NA	PeJP	NA	NA
+PJ091508	NEMMMMR 	C35H63N11O11S4	941.3592	NA	PeJP	NA	NA
+PJ091509	SCCNNKHH 	C35H55N15O12S2	941.3596	NA	PeJP	NA	NA
+PJ091510	GSCDMHHR 	C35H55N15O12S2	941.3597	NA	PeJP	NA	NA
+PJ091511	GTMMMWW 	C43H59N9O9S3	941.3598	NA	PeJP	NA	NA
+PJ091512	SSCHHWW 	C43H51N13O10S	941.3603	NA	PeJP	NA	NA
+PJ091513	ASSQEEEY 	C38H55N9O19	941.3614	NA	PeJP	NA	NA
+PJ091514	GSTQEEEY 	C38H55N9O19	941.3615	NA	PeJP	NA	NA
+PJ091515	GSTTEMMW 	C39H59N9O14S2	941.3623	NA	PeJP	NA	NA
+PJ091516	SSSSDHHW 	C39H51N13O15	941.3628	NA	PeJP	NA	NA
+PJ091517	APCYYYY 	C47H55N7O12S	941.363	NA	PeJP	NA	NA
+PJ091518	VNMMMMW 	C40H63N9O9S4	941.3632	NA	PeJP	NA	NA
+PJ091519	CCNNFRW 	C40H55N13O10S2	941.3637	NA	PeJP	NA	NA
+PJ091520	GSSTTTEEM 	C35H59N9O19S	941.3648	NA	PeJP	NA	NA
+PJ091521	PEEEEFY 	C43H55N7O17	941.3655	NA	PeJP	NA	NA
+PJ091522	GSKEEMMM 	C36H63N9O14S3	941.3657	NA	PeJP	NA	NA
+PJ091523	CDDDRRY 	C36H55N13O15S	941.3662	NA	PeJP	NA	NA
+PJ091524	ATMMYYY 	C44H59N7O12S2	941.3663	NA	PeJP	NA	NA
+PJ091525	APCKMMMM 	C37H67N9O9S5	941.3666	NA	PeJP	NA	NA
+PJ091526	SPDDHWW 	C44H51N11O13	941.3668	NA	PeJP	NA	NA
+PJ091527	GSCCCKRW 	C37H59N13O10S3	941.367	NA	PeJP	NA	NA
+PJ091528	GGAAMMMHH 	C37H59N13O10S3	941.3671	NA	PeJP	NA	NA
+PJ091529	GSCQHHHH 	C37H51N17O11S	941.3675	NA	PeJP	NA	NA
+PJ091530	LEEEEMY 	C40H59N7O17S	941.3689	NA	PeJP	NA	NA
+PJ091531	GSSSSCQMR 	C33H59N13O15S2	941.3695	NA	PeJP	NA	NA
+PJ091532	GDDMRYW 	C41H55N11O13S	941.3702	NA	PeJP	NA	NA
+PJ091533	CDMMMRR 	C34H63N13O10S4	941.3704	NA	PeJP	NA	NA
+PJ091534	SDYWWW 	C49H51N9O11	941.3708	NA	PeJP	NA	NA
+PJ091535	PCCMFRW 	C42H59N11O8S3	941.3711	NA	PeJP	NA	NA
+PJ091536	SSSSSSSQW 	C37H55N11O18	941.3727	NA	PeJP	NA	NA
+PJ091537	NQQQMMY 	C38H59N11O13S2	941.3735	NA	PeJP	NA	NA
+PJ091538	SSSCNKMW 	C38H59N11O13S2	941.3736	NA	PeJP	NA	NA
+PJ091539	GSNNNNHW 	C38H51N15O14	941.374	NA	PeJP	NA	NA
+PJ091540	GGGGGGGGGSHW 	C38H51N15O14	941.3741	NA	PeJP	NA	NA
+PJ091541	QEMYWW 	C46H55N9O11S	941.3742	NA	PeJP	NA	NA
+PJ091542	GMMMMRW 	C39H63N11O8S4	941.3744	NA	PeJP	NA	NA
+PJ091543	TCCHHRW 	C39H55N15O9S2	941.3749	NA	PeJP	NA	NA
+PJ091544	SSSSSTQQM 	C34H59N11O18S	941.376	NA	PeJP	NA	NA
+PJ091545	SSSSSNDKM 	C34H59N11O18S	941.3761	NA	PeJP	NA	NA
+PJ091546	STQEEYW 	C42H55N9O16	941.3767	NA	PeJP	NA	NA
+PJ091547	GSTEMMMR 	C35H63N11O13S3	941.3769	NA	PeJP	NA	NA
+PJ091548	SSSCEHHR 	C35H55N15O14S	941.3774	NA	PeJP	NA	NA
+PJ091549	STTMMWW 	C43H59N9O11S2	941.3776	NA	PeJP	NA	NA
+PJ091550	GNNEHWW 	C43H51N13O12	941.3781	NA	PeJP	NA	NA
+PJ091551	CQMMHHR 	C36H59N15O9S3	941.3783	NA	PeJP	NA	NA
+PJ091552	SSTTTEMW 	C39H59N9O16S	941.3801	NA	PeJP	NA	NA
+PJ091553	AAEYYYY 	C47H55N7O14	941.3807	NA	PeJP	NA	NA
+PJ091554	GSSSSCCRR 	C32H59N15O14S2	941.3808	NA	PeJP	NA	NA
+PJ091555	SKEMMMW 	C40H63N9O11S3	941.3809	NA	PeJP	NA	NA
+PJ091556	TDKMMMW 	C40H63N9O11S3	941.381	NA	PeJP	NA	NA
+PJ091557	SCNNRYW 	C40H55N13O12S	941.3814	NA	PeJP	NA	NA
+PJ091558	GGGGGGPPCHF 	C40H55N13O12S	941.3815	NA	PeJP	NA	NA
+PJ091559	GMMFFFY 	C48H59N7O9S2	941.3816	NA	PeJP	NA	NA
+PJ091560	ACCCCKRR 	C33H63N15O9S4	941.3817	NA	PeJP	NA	NA
+PJ091561	SSSTTTTEE 	C35H59N9O21	941.3826	NA	PeJP	NA	NA
+PJ091562	TTTTQEMM 	C36H63N9O16S2	941.3834	NA	PeJP	NA	NA
+PJ091563	SSTKEEMM 	C36H63N9O16S2	941.3835	NA	PeJP	NA	NA
+PJ091564	SSSNNDRY 	C36H55N13O17	941.3839	NA	PeJP	NA	NA
+PJ091565	GGGGPPDDDR 	C36H55N13O17	941.384	NA	PeJP	NA	NA
+PJ091566	TTTMYYY 	C44H59N7O14S	941.3841	NA	PeJP	NA	NA
+PJ091567	AAKEMMMM 	C37H67N9O11S4	941.3843	NA	PeJP	NA	NA
+PJ091568	NNNMMRY 	C37H59N13O12S2	941.3848	NA	PeJP	NA	NA
+PJ091569	SSSNHHHH 	C37H51N17O13	941.3853	NA	PeJP	NA	NA
+PJ091570	CERYWW 	C45H55N11O10S	941.3854	NA	PeJP	NA	NA
+PJ091571	GPEMHWW 	C45H55N11O10S	941.3855	NA	PeJP	NA	NA
+PJ091572	SSSSSSNMR 	C33H59N13O17S	941.3873	NA	PeJP	NA	NA
+PJ091573	SSDERYW 	C41H55N11O15	941.3879	NA	PeJP	NA	NA
+PJ091574	GGGGGSTTYW 	C41H55N11O15	941.388	NA	PeJP	NA	NA
+PJ091575	SSCCQKMR 	C34H63N13O12S3	941.3882	NA	PeJP	NA	NA
+PJ091576	GCNNNQHR 	C34H55N17O13S	941.3886	NA	PeJP	NA	NA
+PJ091577	GGGGGCNQHR 	C34H55N17O13S	941.3887	NA	PeJP	NA	NA
+PJ091578	SPCMRYW 	C42H59N11O10S2	941.3888	NA	PeJP	NA	NA
+PJ091579	PNDHHHW 	C42H51N15O11	941.3893	NA	PeJP	NA	NA
+PJ091580	AMYWWW 	C50H55N9O8S	941.3895	NA	PeJP	NA	NA
+PJ091581	GSSSSTCKW 	C38H59N11O15S	941.3913	NA	PeJP	NA	NA
+PJ091582	GTTEYWW 	C46H55N9O13	941.392	NA	PeJP	NA	NA
+PJ091583	STMMMRW 	C39H63N11O10S3	941.3922	NA	PeJP	NA	NA
+PJ091584	CNEHHFR 	C39H55N15O11S	941.3927	NA	PeJP	NA	NA
+PJ091585	AAMMFWW 	C47H59N9O8S2	941.3928	NA	PeJP	NA	NA
+PJ091586	NNHWWW 	C47H51N13O9	941.3933	NA	PeJP	NA	NA
+PJ091587	GSSSSSSSKE 	C34H59N11O20	941.3938	NA	PeJP	NA	NA
+PJ091588	SSTTEMMR 	C35H63N11O15S2	941.3947	NA	PeJP	NA	NA
+PJ091589	SSNNQQQH 	C35H55N15O16	941.3951	NA	PeJP	NA	NA
+PJ091590	DDDEHRR 	C35H55N15O16	941.3952	NA	PeJP	NA	NA
+PJ091591	GKEEMYW 	C43H59N9O13S	941.3953	NA	PeJP	NA	NA
+PJ091592	GPPPEEMW 	C43H59N9O13S	941.3954	NA	PeJP	NA	NA
+PJ091593	DKMMMMR 	C36H67N11O10S4	941.3956	NA	PeJP	NA	NA
+PJ091594	TFYYYW 	C51H55N7O11	941.396	NA	PeJP	NA	NA
+PJ091595	GGGGAPCMHR 	C36H59N15O11S2	941.3961	NA	PeJP	NA	NA
+PJ091596	PCKMMFW 	C44H63N9O8S3	941.3962	NA	PeJP	NA	NA
+PJ091597	GQMHHFW 	C44H55N13O9S	941.3967	NA	PeJP	NA	NA
+PJ091598	GSTKEEEY 	C39H59N9O18	941.3978	NA	PeJP	NA	NA
+PJ091599	PPVNEEEE 	C39H59N9O18	941.3979	NA	PeJP	NA	NA
+PJ091600	SSSTLMMW 	C40H63N9O13S2	941.3987	NA	PeJP	NA	NA
+PJ091601	GEEEHRW 	C40H55N13O14	941.3992	NA	PeJP	NA	NA
+PJ091602	GVMFYYY 	C48H59N7O11S	941.3994	NA	PeJP	NA	NA
+PJ091603	CLKMMMW 	C41H67N9O8S4	941.3996	NA	PeJP	NA	NA
+PJ091604	TCKMHHW 	C41H59N13O9S2	941.4001	NA	PeJP	NA	NA
+PJ091605	NNHHHHF 	C41H51N17O10	941.4005	NA	PeJP	NA	NA
+PJ091606	PMHWWW 	C49H55N11O7S	941.4007	NA	PeJP	NA	NA
+PJ091607	SSSSTTLEM 	C36H63N9O18S	941.4012	NA	PeJP	NA	NA
+PJ091608	PLEEEYY 	C44H59N7O16	941.4019	NA	PeJP	NA	NA
+PJ091609	ATTKEMMM 	C37H67N9O13S3	941.4021	NA	PeJP	NA	NA
+PJ091610	SDDMRRY 	C37H59N13O14S	941.4025	NA	PeJP	NA	NA
+PJ091611	GGGSSQMRY 	C37H59N13O14S	941.4026	NA	PeJP	NA	NA
+PJ091612	GVEEHWW 	C45H55N11O12	941.4032	NA	PeJP	NA	NA
+PJ091613	APPCMMHR 	C38H63N13O9S3	941.4034	NA	PeJP	NA	NA
+PJ091614	GSCKHHHH 	C38H55N17O10S	941.4039	NA	PeJP	NA	NA
+PJ091615	GSSSSSSSTR 	C33H59N13O19	941.405	NA	PeJP	NA	NA
+PJ091616	GSSSSCKMR 	C34H63N13O14S2	941.4059	NA	PeJP	NA	NA
+PJ091617	SSNNNNHR 	C34H55N17O15	941.4064	NA	PeJP	NA	NA
+PJ091618	GTEMRYW 	C42H59N11O12S	941.4066	NA	PeJP	NA	NA
+PJ091619	SMMMMRR 	C35H67N13O9S4	941.4068	NA	PeJP	NA	NA
+PJ091620	TTYWWW 	C50H55N9O10	941.4072	NA	PeJP	NA	NA
+PJ091621	GPCCNHRR 	C35H59N17O10S2	941.4073	NA	PeJP	NA	NA
+PJ091622	GCHHFRW 	C43H55N15O8S	941.4079	NA	PeJP	NA	NA
+PJ091623	SSSSSSSKW 	C38H59N11O17	941.4091	NA	PeJP	NA	NA
+PJ091624	SSTCCKKW 	C39H63N11O12S2	941.4099	NA	PeJP	NA	NA
+PJ091625	GGVEMMRY 	C39H63N11O12S2	941.41	NA	PeJP	NA	NA
+PJ091626	SNNEHRW 	C39H55N15O13	941.4104	NA	PeJP	NA	NA
+PJ091627	KEMYWW 	C47H59N9O10S	941.4106	NA	PeJP	NA	NA
+PJ091628	LMMHHHH 	C40H59N15O8S2	941.4113	NA	PeJP	NA	NA
+PJ091629	THHHHHH 	C40H51N19O9	941.4118	NA	PeJP	NA	NA
+PJ091630	SSSSSTQKM 	C35H63N11O17S	941.4124	NA	PeJP	NA	NA
+PJ091631	STKEEYW 	C43H59N9O15	941.4131	NA	PeJP	NA	NA
+PJ091632	SSSLMMMR 	C36H67N11O12S3	941.4133	NA	PeJP	NA	NA
+PJ091633	GSSCNRRY 	C36H59N15O13S	941.4138	NA	PeJP	NA	NA
+PJ091634	SPKMMYW 	C44H63N9O10S2	941.414	NA	PeJP	NA	NA
+PJ091635	EEHRWW 	C44H55N13O11	941.4144	NA	PeJP	NA	NA
+PJ091636	GGGDKHWW 	C44H55N13O11	941.4145	NA	PeJP	NA	NA
+PJ091637	GMFFFFF 	C52H59N7O8S	941.4146	NA	PeJP	NA	NA
+PJ091638	CKMMHHR 	C37H63N15O8S3	941.4147	NA	PeJP	NA	NA
+PJ091639	TTTTTTMW 	C40H63N9O15S	941.4165	NA	PeJP	NA	NA
+PJ091640	GTLYYYY 	C48H59N7O13	941.4171	NA	PeJP	NA	NA
+PJ091641	AAPKMMMY 	C41H67N9O10S3	941.4173	NA	PeJP	NA	NA
+PJ091642	GGGVLMMMF 	C41H67N9O10S3	941.4174	NA	PeJP	NA	NA
+PJ091643	SPEMHRW 	C41H59N13O11S	941.4178	NA	PeJP	NA	NA
+PJ091644	VEHWWW 	C49H55N11O9	941.4185	NA	PeJP	NA	NA
+PJ091645	STTTTTTTE 	C36H63N9O20	941.4189	NA	PeJP	NA	NA
+PJ091646	TTTTTTTTD 	C36H63N9O20	941.419	NA	PeJP	NA	NA
+PJ091647	TTTTKEMM 	C37H67N9O15S2	941.4198	NA	PeJP	NA	NA
+PJ091648	SSSSQQRY 	C37H59N13O16	941.4203	NA	PeJP	NA	NA
+PJ091649	GGGGGGGGGAPLE 	C37H59N13O16	941.4204	NA	PeJP	NA	NA
+PJ091650	GTLKMMMM 	C38H71N9O10S4	941.4207	NA	PeJP	NA	NA
+PJ091651	GEMMRRY 	C38H63N13O11S2	941.4212	NA	PeJP	NA	NA
+PJ091652	QQQQHHH 	C38H55N17O12	941.4216	NA	PeJP	NA	NA
+PJ091653	GSPDHHHR 	C38H55N17O12	941.4217	NA	PeJP	NA	NA
+PJ091654	TMRYWW 	C46H59N11O9S	941.4218	NA	PeJP	NA	NA
+PJ091655	AFFWWW 	C54H55N9O7	941.4225	NA	PeJP	NA	NA
+PJ091656	SSSSSTCKR 	C34H63N13O16S	941.4237	NA	PeJP	NA	NA
+PJ091657	STTERYW 	C42H59N11O14	941.4243	NA	PeJP	NA	NA
+PJ091658	GGGGSPPVEW 	C42H59N11O14	941.4244	NA	PeJP	NA	NA
+PJ091659	SSCCKKMR 	C35H67N13O11S3	941.4246	NA	PeJP	NA	NA
+PJ091660	NNDMHRR 	C35H59N17O12S	941.425	NA	PeJP	NA	NA
+PJ091661	GGGGGGGCKHR 	C35H59N17O12S	941.4251	NA	PeJP	NA	NA
+PJ091662	GVMMRYW 	C43H63N11O9S2	941.4252	NA	PeJP	NA	NA
+PJ091663	GSNHRWW 	C43H55N15O10	941.4257	NA	PeJP	NA	NA
+PJ091664	SKEEMRY 	C39H63N11O14S	941.4277	NA	PeJP	NA	NA
+PJ091665	SSTLYWW 	C47H59N9O12	941.4283	NA	PeJP	NA	NA
+PJ091666	PPVEEWW 	C47H59N9O12	941.4284	NA	PeJP	NA	NA
+PJ091667	VQMMMFR 	C40H67N11O9S3	941.4286	NA	PeJP	NA	NA
+PJ091668	GQQMHRW 	C40H59N15O10S	941.429	NA	PeJP	NA	NA
+PJ091669	GGAQMHRW 	C40H59N15O10S	941.4291	NA	PeJP	NA	NA
+PJ091670	AHHHFFF 	C48H55N13O8	941.4297	NA	PeJP	NA	NA
+PJ091671	GSSSSSTTTK 	C35H63N11O19	941.4302	NA	PeJP	NA	NA
+PJ091672	TTTTTMMR 	C36H67N11O14S2	941.4311	NA	PeJP	NA	NA
+PJ091673	SEEEHRR 	C36H59N15O15	941.4315	NA	PeJP	NA	NA
+PJ091674	TDEEHRR 	C36H59N15O15	941.4316	NA	PeJP	NA	NA
+PJ091675	SVKEMYW 	C44H63N9O12S	941.4317	NA	PeJP	NA	NA
+PJ091676	ACCKKKMM 	C37H71N11O9S4	941.432	NA	PeJP	NA	NA
+PJ091677	GVFFFYY 	C52H59N7O10	941.4324	NA	PeJP	NA	NA
+PJ091678	NNQHHHR 	C37H55N19O11	941.4329	NA	PeJP	NA	NA
+5477	antibacterial peptide from cathepsin G (human)	HPQYNQR	941.4329	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ091679	PPCHFRW 	C45H59N13O8S	941.4331	NA	PeJP	NA	NA
+PJ091680	SSSLKEEY 	C40H63N9O17	941.4342	NA	PeJP	NA	NA
+PJ091681	LQKEMMY 	C41H67N9O12S2	941.4351	NA	PeJP	NA	NA
+PJ091682	SVEEHRW 	C41H59N13O13	941.4356	NA	PeJP	NA	NA
+PJ091683	MMRRYW 	C42H63N13O8S2	941.4364	NA	PeJP	NA	NA
+PJ091684	SSTTTTTLM 	C37H67N9O17S	941.4376	NA	PeJP	NA	NA
+PJ091685	LLEEEFY 	C45H63N7O15	941.4383	NA	PeJP	NA	NA
+PJ091686	STTLKMMM 	C38H71N9O12S3	941.4385	NA	PeJP	NA	NA
+PJ091687	STEMRRY 	C38H63N13O13S	941.4389	NA	PeJP	NA	NA
+PJ091688	GALEEMHR 	C38H63N13O13S	941.439	NA	PeJP	NA	NA
+PJ091689	ATLEHWW 	C46H59N11O11	941.4396	NA	PeJP	NA	NA
+PJ091690	AMMMFRR 	C39H67N13O8S3	941.4398	NA	PeJP	NA	NA
+PJ091691	GCQHRRW 	C39H59N17O9S	941.4403	NA	PeJP	NA	NA
+PJ091692	GSSNEHRR 	C35H59N17O14	941.4428	NA	PeJP	NA	NA
+PJ091693	SSLMRYW 	C43H63N11O11S	941.4429	NA	PeJP	NA	NA
+PJ091694	TTCLRYW 	C43H63N11O11S	941.443	NA	PeJP	NA	NA
+PJ091695	PKYYWW 	C51H59N9O9	941.4436	NA	PeJP	NA	NA
+PJ091696	SSTTQQKY 	C39H63N11O16	941.4454	NA	PeJP	NA	NA
+PJ091697	SSSTLERY 	C39H63N11O16	941.4455	NA	PeJP	NA	NA
+PJ091698	VDKMMRY 	C40H67N11O11S2	941.4463	NA	PeJP	NA	NA
+PJ091699	GGGAPPPKMM 	C40H67N11O11S2	941.4464	NA	PeJP	NA	NA
+PJ091700	SNDKHRW 	C40H59N15O12	941.4468	NA	PeJP	NA	NA
+PJ091701	APKMFYW 	C48H63N9O9S	941.447	NA	PeJP	NA	NA
+PJ091702	SSSSSTKKM 	C36H67N11O16S	941.4488	NA	PeJP	NA	NA
+PJ091703	SSSSLLYW 	C44H63N9O14	941.4495	NA	PeJP	NA	NA
+PJ091704	SSCKKKMM 	C37H71N11O11S3	941.4497	NA	PeJP	NA	NA
+PJ091705	VDEMHRR 	C37H63N15O12S	941.4502	NA	PeJP	NA	NA
+PJ091706	ALKMMYW 	C45H67N9O9S2	941.4503	NA	PeJP	NA	NA
+PJ091707	APPPLMMW 	C45H67N9O9S2	941.4504	NA	PeJP	NA	NA
+PJ091708	SPPNRWW 	C45H59N13O10	941.4508	NA	PeJP	NA	NA
+PJ091709	PCHHHRR 	C38H59N19O8S	941.4515	NA	PeJP	NA	NA
+PJ091710	ATTLDKMY 	C41H67N9O14S	941.4528	NA	PeJP	NA	NA
+PJ091711	GTTLKEMY 	C41H67N9O14S	941.4529	NA	PeJP	NA	NA
+PJ091712	AALKMMMF 	C42H71N9O9S3	941.4537	NA	PeJP	NA	NA
+PJ091713	ALEMHRW 	C42H63N13O10S	941.4542	NA	PeJP	NA	NA
+PJ091714	TFFRWW 	C50H59N11O8	941.4548	NA	PeJP	NA	NA
+PJ091715	GPLHFWW 	C50H59N11O8	941.4549	NA	PeJP	NA	NA
+PJ091716	SSSSQKRY 	C38H63N13O15	941.4567	NA	PeJP	NA	NA
+PJ091717	SVMMRRY 	C39H67N13O10S2	941.4576	NA	PeJP	NA	NA
+PJ091718	SSNHRRW 	C39H59N17O11	941.458	NA	PeJP	NA	NA
+PJ091719	GGLEHHHR 	C39H59N17O11	941.4581	NA	PeJP	NA	NA
+PJ091720	GLLMHWW 	C47H63N11O8S	941.4582	NA	PeJP	NA	NA
+PJ091721	GSSSKKYW 	C43H63N11O13	941.4607	NA	PeJP	NA	NA
+PJ091722	SQQMHRR 	C36H63N17O11S	941.4614	NA	PeJP	NA	NA
+PJ091723	CCKKKFW 	C44H67N11O8S2	941.4616	NA	PeJP	NA	NA
+PJ091724	PTKHHHW 	C44H59N15O9	941.4621	NA	PeJP	NA	NA
+PJ091725	GTTTLMRY 	C40H67N11O13S	941.4641	NA	PeJP	NA	NA
+PJ091726	SPVKYYW 	C48H63N9O11	941.4647	NA	PeJP	NA	NA
+PJ091727	GPPPLEFW 	C48H63N9O11	941.4648	NA	PeJP	NA	NA
+PJ091728	VKMMMFR 	C41H71N11O8S3	941.465	NA	PeJP	NA	NA
+PJ091729	PPCQRRW 	C41H63N15O9S	941.4654	NA	PeJP	NA	NA
+PJ091730	PQQEERR 	C37H63N15O14	941.4679	NA	PeJP	NA	NA
+PJ091731	AAAAPDDRR 	C37H63N15O14	941.468	NA	PeJP	NA	NA
+PJ091732	TTLKMYW 	C45H67N9O11S	941.4681	NA	PeJP	NA	NA
+PJ091733	APCCKKHR 	C38H67N15O9S2	941.4688	NA	PeJP	NA	NA
+PJ091734	AEHHHRR 	C38H59N19O10	941.4693	NA	PeJP	NA	NA
+PJ091735	MFFRRW 	C46H63N13O7S	941.4695	NA	PeJP	NA	NA
+PJ091736	STTTLKEY 	C41H67N9O16	941.4706	NA	PeJP	NA	NA
+PJ091737	LKKEMMY 	C42H71N9O11S2	941.4715	NA	PeJP	NA	NA
+PJ091738	TTLEHRW 	C42H63N13O12	941.4719	NA	PeJP	NA	NA
+PJ091739	PVQQERW 	C42H63N13O12	941.472	NA	PeJP	NA	NA
+PJ091740	SCQHRRR 	C35H63N19O10S	941.4726	NA	PeJP	NA	NA
+PJ091741	GGTCHRRR 	C35H63N19O10S	941.4727	NA	PeJP	NA	NA
+PJ091742	GLHHHRW 	C43H59N17O8	941.4733	NA	PeJP	NA	NA
+PJ091743	LLLEEYY 	C46H67N7O14	941.4746	NA	PeJP	NA	NA
+PJ091744	GSTCKKRY 	C39H67N13O12S	941.4753	NA	PeJP	NA	NA
+PJ091745	GGGGGGPPKKM 	C39H67N13O12S	941.4754	NA	PeJP	NA	NA
+PJ091746	STLLHWW 	C47H63N11O10	941.476	NA	PeJP	NA	NA
+PJ091747	GCKHRRW 	C40H63N17O8S	941.4767	NA	PeJP	NA	NA
+PJ091748	PNDERRR 	C36H63N17O13	941.4792	NA	PeJP	NA	NA
+PJ091749	SCKKKYW 	C44H67N11O10S	941.4793	NA	PeJP	NA	NA
+PJ091750	LLDKMHW 	C44H67N11O10S	941.4794	NA	PeJP	NA	NA
+PJ091751	LKFYWW 	C52H63N9O8	941.48	NA	PeJP	NA	NA
+PJ091752	STTTTLRY 	C40H67N11O15	941.4818	NA	PeJP	NA	NA
+PJ091753	GPLLEEER 	C40H67N11O15	941.4819	NA	PeJP	NA	NA
+PJ091754	TLKMMRY 	C41H71N11O10S2	941.4827	NA	PeJP	NA	NA
+PJ091755	APQERRW 	C41H63N15O11	941.4832	NA	PeJP	NA	NA
+PJ091756	PPLLMWW 	C49H67N9O8S	941.4834	NA	PeJP	NA	NA
+PJ091757	GPVLLEEW 	C45H67N9O13	941.4859	NA	PeJP	NA	NA
+PJ091758	TLEMHRR 	C38H67N15O11S	941.4866	NA	PeJP	NA	NA
+PJ091759	GPLQRWW 	C46H63N13O9	941.4872	NA	PeJP	NA	NA
+PJ091760	SSTLLKMY 	C42H71N9O13S	941.4892	NA	PeJP	NA	NA
+PJ091761	PPVLKEEM 	C42H71N9O13S	941.4893	NA	PeJP	NA	NA
+PJ091762	GSSSHRRR 	C35H63N19O12	941.4904	NA	PeJP	NA	NA
+PJ091763	SLLMHRW 	C43H67N13O9S	941.4906	NA	PeJP	NA	NA
+PJ091764	SSSSKKRY 	C39H67N13O14	941.4931	NA	PeJP	NA	NA
+PJ091765	AALLMMHR 	C40H71N13O9S2	941.494	NA	PeJP	NA	NA
+PJ091766	GPDRRRW 	C40H63N17O10	941.4944	NA	PeJP	NA	NA
+PJ091767	PLLEERW 	C44H67N11O12	941.4971	NA	PeJP	NA	NA
+PJ091768	GPPTCRRR 	C37H67N17O10S	941.4978	NA	PeJP	NA	NA
+PJ091769	VVKHHHW 	C45H63N15O8	941.4984	NA	PeJP	NA	NA
+PJ091770	AAPRRWW 	C45H63N15O8	941.4985	NA	PeJP	NA	NA
+MJ098278	Kabiramide C 	C48H71N5O14	941.499752	NA	MeJP	NA	NA
+PJ091771	GSTKKKMY 	C41H71N11O12S	941.5005	NA	PeJP	NA	NA
+PJ091772	PVLLEWW 	C49H67N9O10	941.5011	NA	PeJP	NA	NA
+PJ091773	PPCKRRW 	C42H67N15O8S	941.5018	NA	PeJP	NA	NA
+PJ091774	PQKEERR 	C38H67N15O13	941.5043	NA	PeJP	NA	NA
+PJ091775	GGGGGGGAALLR 	C38H67N15O13	941.5044	NA	PeJP	NA	NA
+PJ091776	SPPVLLMW 	C46H71N9O10S	941.5045	NA	PeJP	NA	NA
+PJ091777	VLMMHRR 	C39H71N15O8S2	941.5052	NA	PeJP	NA	NA
+PJ091778	GNHFRRR 	C39H63N19O9	941.5057	NA	PeJP	NA	NA
+PJ091779	PVVLKEEE 	C42H71N9O15	941.507	NA	PeJP	NA	NA
+PJ091780	PPLLLQMM 	C43H75N9O10S2	941.5079	NA	PeJP	NA	NA
+PJ091781	PVQKERW 	C43H67N13O11	941.5083	NA	PeJP	NA	NA
+PJ091782	GGPLKERW 	C43H67N13O11	941.5084	NA	PeJP	NA	NA
+PJ091783	SCKHRRR 	C36H67N19O9S	941.509	NA	PeJP	NA	NA
+5445	tryptophan-modified porcine lactoferricin (LFP W8)	SKCRQWQWKIRRTNP	941.5114	MH2+	Inhouse_peptide	NA	peptide
+PJ091784	ATTLLMHR 	C40H71N13O11S	941.5117	NA	PeJP	NA	NA
+PJ091785	PPTKKWW 	C48H67N11O9	941.5124	NA	PeJP	NA	NA
+PJ091786	VQQQQRR 	C37H67N17O12	941.5155	NA	PeJP	NA	NA
+PJ091787	PTQERRR 	C37H67N17O12	941.5156	NA	PeJP	NA	NA
+PJ091788	GPPVKKMW 	C45H71N11O9S	941.5157	NA	PeJP	NA	NA
+PJ091789	SSTTKKKY 	C41H71N11O14	941.5182	NA	PeJP	NA	NA
+PJ091790	GGPVVKKEE 	C41H71N11O14	941.5183	NA	PeJP	NA	NA
+PJ091791	PPVVLMMR 	C42H75N11O9S2	941.5191	NA	PeJP	NA	NA
+PJ091792	APKERRW 	C42H67N15O10	941.5196	NA	PeJP	NA	NA
+PJ091793	AATLLKYY 	C46H71N9O12	941.5222	NA	PeJP	NA	NA
+PJ091794	APTLLLEW 	C46H71N9O12	941.5223	NA	PeJP	NA	NA
+PJ091795	DKKKMHR 	C39H71N15O10S	941.5229	NA	PeJP	NA	NA
+PJ091796	GPPTKMRR 	C39H71N15O10S	941.523	NA	PeJP	NA	NA
+PJ091797	GPLKRWW 	C47H67N13O8	941.5236	NA	PeJP	NA	NA
+PJ091798	PVLLLQEM 	C43H75N9O12S	941.5256	NA	PeJP	NA	NA
+PJ091799	SPDRRRR 	C36H67N19O11	941.5268	NA	PeJP	NA	NA
+PJ091800	PPKKMRW 	C44H71N13O8S	941.527	NA	PeJP	NA	NA
+PJ091801	TTTTLLHR 	C40H71N13O13	941.5295	NA	PeJP	NA	NA
+PJ091802	APTRRRW 	C41H67N17O9	941.5308	NA	PeJP	NA	NA
+PJ091803	AAPLKKEW 	C45H71N11O11	941.5335	NA	PeJP	NA	NA
+PJ091804	PVQMRRR 	C38H71N17O9S	941.5342	NA	PeJP	NA	NA
+PJ091805	APLLLEMR 	C42H75N11O11S	941.5369	NA	PeJP	NA	NA
+PJ091806	GPPLLLFW 	C50H71N9O9	941.5375	NA	PeJP	NA	NA
+PJ091807	GNQRRRR 	C35H67N21O10	941.538	NA	PeJP	NA	NA
+PJ091808	PKKEERR 	C39H71N15O12	941.5407	NA	PeJP	NA	NA
+PJ091809	GPLLLLMW 	C47H75N9O9S	941.5409	NA	PeJP	NA	NA
+PJ091810	PTLLLKEE 	C43H75N9O14	941.5434	NA	PeJP	NA	NA
+PJ091811	PPLLLKMM 	C44H79N9O9S2	941.5443	NA	PeJP	NA	NA
+PJ091812	PVKKERW 	C44H71N13O10	941.5447	NA	PeJP	NA	NA
+PJ091813	APMRRRR 	C37H71N19O8S	941.5454	NA	PeJP	NA	NA
+PJ091814	SPPVKKMR 	C41H75N13O10S	941.5481	NA	PeJP	NA	NA
+PJ091815	PVVKKWW 	C49H71N11O8	941.5488	NA	PeJP	NA	NA
+PJ091816	PTKERRR 	C38H71N17O11	941.5519	NA	PeJP	NA	NA
+PJ091817	GGVLERRR 	C38H71N17O11	941.552	NA	PeJP	NA	NA
+PJ091818	GLLLLEER 	C42H75N11O13	941.5546	NA	PeJP	NA	NA
+PJ091819	SPLKRRW 	C43H71N15O9	941.556	NA	PeJP	NA	NA
+PJ091820	AVVLLLEW 	C47H75N9O11	941.5586	NA	PeJP	NA	NA
+PJ091821	GVLLLLEW 	C47H75N9O11	941.5587	NA	PeJP	NA	NA
+PJ091822	AAPLKMRR 	C40H75N15O9S	941.5593	NA	PeJP	NA	NA
+PJ091823	PVLLLKEM 	C44H79N9O11S	941.562	NA	PeJP	NA	NA
+PJ091824	GLERRRR 	C37H71N19O10	941.5632	NA	PeJP	NA	NA
+PJ091825	STTLKKKH 	C41H75N13O12	941.5658	NA	PeJP	NA	NA
+PJ091826	APTLKKER 	C41H75N13O12	941.5659	NA	PeJP	NA	NA
+PJ091827	GVLRRRW 	C42H71N17O8	941.5672	NA	PeJP	NA	NA
+PJ091828	LLLLERW 	C46H75N11O10	941.5699	NA	PeJP	NA	NA
+PJ091829	PVKMRRR 	C39H75N17O8S	941.5706	NA	PeJP	NA	NA
+PJ091830	SPLLLLMR 	C43H79N11O10S	941.5733	NA	PeJP	NA	NA
+PJ091831	VLLLLWW 	C51H75N9O8	941.5739	NA	PeJP	NA	NA
+PJ091832	GNKRRRR 	C36H71N21O9	941.5744	NA	PeJP	NA	NA
+PJ091833	LLQKERR 	C40H75N15O11	941.5771	NA	PeJP	NA	NA
+PJ091834	LRRRRW 	C41H71N19O7	941.5784	NA	PeJP	NA	NA
+PJ091835	VVLLLKEE 	C44H79N9O13	941.5798	NA	PeJP	NA	NA
+2923	neuropeptide from eyestalk of Macrobrachium rosenb	APALRLRF~	941.58	antibacterial	Inhouse_peptide	NA	peptide
+PJ091836	VLLQKRW 	C45H75N13O9	941.5811	NA	PeJP	NA	NA
+PJ091837	GPLLKKMR 	C42H79N13O9S	941.5845	NA	PeJP	NA	NA
+PJ091838	VVKERRR 	C39H75N17O10	941.5883	NA	PeJP	NA	NA
+PJ091839	SVLLLLER 	C43H79N11O12	941.591	NA	PeJP	NA	NA
+PJ091840	ALLKRRW 	C44H75N15O8	941.5923	NA	PeJP	NA	NA
+PJ091841	ATLLLLLW 	C48H79N9O10	941.595	NA	PeJP	NA	NA
+PJ091842	VLLLLLQM 	C45H83N9O10S	941.5984	NA	PeJP	NA	NA
+PJ091843	SVLRRRR 	C38H75N19O9	941.5996	NA	PeJP	NA	NA
+PJ091844	AVVLKKER 	C42H79N13O11	941.6022	NA	PeJP	NA	NA
+PJ091845	GVLLKKER 	C42H79N13O11	941.6023	NA	PeJP	NA	NA
+PJ091846	AALLLKKW 	C47H79N11O9	941.6063	NA	PeJP	NA	NA
+PJ091847	ALLLLLMR 	C44H83N11O9S	941.6096	NA	PeJP	NA	NA
+PJ091848	LLKKERR 	C41H79N15O10	941.6135	NA	PeJP	NA	NA
+PJ091849	TLLLLLKE 	C45H83N9O12	941.6162	NA	PeJP	NA	NA
+PJ091850	VLLKKRW 	C46H79N13O8	941.6175	NA	PeJP	NA	NA
+PJ091851	TLLKRRR 	C40H79N17O9	941.6247	NA	PeJP	NA	NA
+PJ091852	TTLLLLLR 	C44H83N11O11	941.6274	NA	PeJP	NA	NA
+PJ091853	PVLLLLKF 	C49H83N9O9	941.6314	NA	PeJP	NA	NA
+PJ091854	VLLLLLKM 	C46H87N9O9S	941.6348	NA	PeJP	NA	NA
+PJ091855	AKKKRRR 	C39H79N19O8	941.636	NA	PeJP	NA	NA
+PJ091856	ATLLLKKR 	C43H83N13O10	941.6386	NA	PeJP	NA	NA
+PJ091857	AALKKKKR 	C42H83N15O9	941.6499	NA	PeJP	NA	NA
+PJ091858	VKKKKRR 	C41H83N17O8	941.6611	NA	PeJP	NA	NA
+PJ091859	SLLLLKKK 	C45H87N11O10	941.6638	NA	PeJP	NA	NA
+PJ091860	GLLKKKKK 	C44H87N13O9	941.675	NA	PeJP	NA	NA
+3913	uperin 3,6	GVIDAAKKVVNVLKNLFG	942.05135	MH2+	Inhouse_peptide	NA	peptide
+3918	uperin 3,6	GVIDAAKKVVNVLKNLFG	942.05135	MH2+	Inhouse_peptide	NA	peptide
+PJ091861	CCCCCDMY 	C33H50N8O12S6	942.1873	NA	PeJP	NA	NA
+PJ091862	CCCCCMMF 	C34H54N8O9S7	942.2059	NA	PeJP	NA	NA
+PJ091863	CCCCDEMH 	C32H50N10O13S5	942.2163	NA	PeJP	NA	NA
+PJ091864	CCCCCDFF 	C37H50N8O11S5	942.2203	NA	PeJP	NA	NA
+PJ091865	CDDDDDDM 	C32H46N8O21S2	942.2219	NA	PeJP	NA	NA
+PJ091866	SCCCCMMY 	C34H54N8O11S6	942.2237	NA	PeJP	NA	NA
+PJ091867	GSCCCCCQH 	C31H50N12O12S5	942.2275	NA	PeJP	NA	NA
+PJ091868	GSCCNDDDD 	C31H46N10O20S2	942.2332	NA	PeJP	NA	NA
+PJ091869	GPCCCCNDE 	C32H50N10O15S4	942.234	NA	PeJP	NA	NA
+PJ091870	GGGPCCCCDE 	C32H50N10O15S4	942.2341	NA	PeJP	NA	NA
+PJ091871	GCCCCEYY 	C37H50N8O13S4	942.2381	NA	PeJP	NA	NA
+PJ091872	SSSCCCCNH 	C31H50N12O14S4	942.2453	NA	PeJP	NA	NA
+PJ091873	PCCCCNDW 	C36H50N10O12S4	942.2493	NA	PeJP	NA	NA
+PJ091874	CCNNDDEM 	C32H50N10O17S3	942.2518	NA	PeJP	NA	NA
+PJ091875	SCCCEMMH 	C33H54N10O12S5	942.2527	NA	PeJP	NA	NA
+PJ091876	CCCCYYW 	C41H50N8O10S4	942.2533	NA	PeJP	NA	NA
+PJ091877	SSCCCDYY 	C37H50N8O15S3	942.2558	NA	PeJP	NA	NA
+PJ091878	ACCCCMFY 	C38H54N8O10S5	942.2567	NA	PeJP	NA	NA
+PJ091879	SDDDDDMM 	C33H50N8O20S2	942.2583	NA	PeJP	NA	NA
+PJ091880	PCCDDEMM 	C34H54N8O15S4	942.2592	NA	PeJP	NA	NA
+PJ091881	CCCCNNHF 	C35H50N12O11S4	942.2605	NA	PeJP	NA	NA
+PJ091882	CCCNDDDR 	C31H50N12O16S3	942.263	NA	PeJP	NA	NA
+PJ091883	GGGGGGGSCCCE 	C31H50N12O16S3	942.2631	NA	PeJP	NA	NA
+PJ091884	GSCCCCCKH 	C32H54N12O11S5	942.2639	NA	PeJP	NA	NA
+PJ091885	GCCNDDMW 	C36H50N10O14S3	942.2671	NA	PeJP	NA	NA
+PJ091886	PCCCCMHF 	C37H54N10O9S5	942.2679	NA	PeJP	NA	NA
+PJ091887	GSSCCDDQE 	C32H50N10O19S2	942.2695	NA	PeJP	NA	NA
+PJ091888	GSSCNDDDM 	C32H50N10O19S2	942.2696	NA	PeJP	NA	NA
+PJ091889	GSPCCCNEM 	C33H54N10O14S4	942.2704	NA	PeJP	NA	NA
+PJ091890	GCCMMMMH 	C34H58N10O9S6	942.2713	NA	PeJP	NA	NA
+PJ091891	TCCCCHHH 	C34H50N14O10S4	942.2718	NA	PeJP	NA	NA
+PJ091892	GDDDDDEY 	C36H46N8O22	942.2727	NA	PeJP	NA	NA
+PJ091893	PCCDDDEF 	C37H50N8O17S2	942.2736	NA	PeJP	NA	NA
+PJ091894	GTCCCMYY 	C38H54N8O12S4	942.2744	NA	PeJP	NA	NA
+PJ091895	GDDDEMMM 	C34H54N8O17S3	942.277	NA	PeJP	NA	NA
+PJ091896	SCDDDDHH 	C34H46N12O18S	942.2774	NA	PeJP	NA	NA
+PJ091897	SCCCNNNW 	C35H50N12O13S3	942.2783	NA	PeJP	NA	NA
+MJ098279	Naamidine A; O11-Me, Zn complex with naamidine A 	C47H46N10O8Zn	942.279155	NA	MeJP	NA	NA
+PJ091898	SSSCCNNND 	C31H50N12O18S2	942.2808	NA	PeJP	NA	NA
+PJ091899	CCNNNNMM 	C32H54N12O13S4	942.2816	NA	PeJP	NA	NA
+PJ091900	GSPCCCCDR 	C32H54N12O13S4	942.2817	NA	PeJP	NA	NA
+PJ091901	CCCNEWW 	C40H50N10O11S3	942.2823	NA	PeJP	NA	NA
+PJ091902	PDDDDDDH 	C35H46N10O21	942.284	NA	PeJP	NA	NA
+PJ091903	SSCCNDEW 	C36H50N10O16S2	942.2848	NA	PeJP	NA	NA
+PJ091904	SPCCCNMW 	C37H54N10O11S4	942.2857	NA	PeJP	NA	NA
+PJ091905	SSSSCNDDE 	C32H50N10O21S	942.2873	NA	PeJP	NA	NA
+PJ091906	DDDDDYW 	C40H46N8O19	942.288	NA	PeJP	NA	NA
+PJ091907	SCNNDEMM 	C33H54N10O16S3	942.2882	NA	PeJP	NA	NA
+PJ091908	CCNDYYY 	C41H50N8O14S2	942.2888	NA	PeJP	NA	NA
+PJ091909	STCCMMMH 	C34H58N10O11S5	942.289	NA	PeJP	NA	NA
+PJ091910	GGPCCNMMM 	C34H58N10O11S5	942.2891	NA	PeJP	NA	NA
+PJ091911	ACCCCFFF 	C42H54N8O9S4	942.2897	NA	PeJP	NA	NA
+PJ091912	SPCDDDEY 	C37H50N8O19S	942.2913	NA	PeJP	NA	NA
+PJ091913	DDDMMMW 	C38H54N8O14S3	942.2922	NA	PeJP	NA	NA
+PJ091914	CCCCNNQR 	C31H54N14O12S4	942.2929	NA	PeJP	NA	NA
+PJ091915	SSDDEEMM 	C34H54N8O19S2	942.2947	NA	PeJP	NA	NA
+PJ091916	SPCDEMMM 	C35H58N8O14S4	942.2956	NA	PeJP	NA	NA
+PJ091917	CCNNNNDF 	C35H50N12O15S2	942.296	NA	PeJP	NA	NA
+PJ091918	GGGGCCNNDF 	C35H50N12O15S2	942.2961	NA	PeJP	NA	NA
+PJ091919	PPCCMMMM 	C36H62N8O9S6	942.2964	NA	PeJP	NA	NA
+PJ091920	GCCCWWW 	C44H50N10O8S3	942.2976	NA	PeJP	NA	NA
+PJ091921	SCCNDDMR 	C32H54N12O15S3	942.2994	NA	PeJP	NA	NA
+PJ091922	GSSCCDWW 	C40H50N10O13S2	942.3001	NA	PeJP	NA	NA
+PJ091923	PCCCCQMR 	C33H58N12O10S5	942.3003	NA	PeJP	NA	NA
+MJ098280	Jasamplexoside A 	C42H54O24	942.300502	NA	MeJP	NA	NA
+PJ091924	GSSSSCDDW 	C36H50N10O18S	942.3026	NA	PeJP	NA	NA
+PJ091925	GSCNDMMW 	C37H54N10O13S3	942.3034	NA	PeJP	NA	NA
+PJ091926	GGGGPCCDMF 	C37H54N10O13S3	942.3035	NA	PeJP	NA	NA
+PJ091927	GCCCHHHF 	C38H50N14O9S3	942.3048	NA	PeJP	NA	NA
+PJ091928	GSSSSSSDDD 	C32H50N10O23	942.3051	NA	PeJP	NA	NA
+PJ091929	GSSSNDDMM 	C33H54N10O18S2	942.3059	NA	PeJP	NA	NA
+PJ091930	DDDDMFW 	C41H50N8O16S	942.3066	NA	PeJP	NA	NA
+PJ091931	GNNDMMMM 	C34H58N10O13S4	942.3068	NA	PeJP	NA	NA
+PJ091932	SCCNNEHH 	C34H50N14O14S2	942.3073	NA	PeJP	NA	NA
+PJ091933	CCNMFYY 	C42H54N8O11S3	942.3074	NA	PeJP	NA	NA
+PJ091934	GGCCMFYY 	C42H54N8O11S3	942.3075	NA	PeJP	NA	NA
+PJ091935	GSDDEEEY 	C37H50N8O21	942.3091	NA	PeJP	NA	NA
+PJ091936	GPDDDMMY 	C38H54N8O16S2	942.31	NA	PeJP	NA	NA
+PJ091937	GSSCCCNNR 	C31H54N14O14S3	942.3106	NA	PeJP	NA	NA
+PJ091938	GGGSSCCCNR 	C31H54N14O14S3	942.3107	NA	PeJP	NA	NA
+PJ091939	PPCCDMMF 	C39H58N8O11S4	942.3108	NA	PeJP	NA	NA
+PJ091940	CDDMHHW 	C39H50N12O12S2	942.3113	NA	PeJP	NA	NA
+PJ091941	PCCCCCRR 	C32H58N14O9S5	942.3115	NA	PeJP	NA	NA
+PJ091942	GSEEEMMM 	C35H58N8O16S3	942.3133	NA	PeJP	NA	NA
+PJ091943	SCNNNNDY 	C35H50N12O17S	942.3138	NA	PeJP	NA	NA
+PJ091944	GPDMMMMM 	C36H62N8O11S5	942.3142	NA	PeJP	NA	NA
+PJ091945	GSCCCERW 	C36H54N12O12S3	942.3147	NA	PeJP	NA	NA
+PJ091946	GSSSCCDER 	C32H54N12O17S2	942.3172	NA	PeJP	NA	NA
+PJ091947	CNNDEYW 	C40H50N10O15S	942.3178	NA	PeJP	NA	NA
+PJ091948	GCCNEMMR 	C33H58N12O12S4	942.318	NA	PeJP	NA	NA
+PJ091949	GGGCCEMMR 	C33H58N12O12S4	942.3181	NA	PeJP	NA	NA
+PJ091950	SCCQMWW 	C41H54N10O10S3	942.3187	NA	PeJP	NA	NA
+PJ091951	SSNNDDEY 	C36H50N10O20	942.3203	NA	PeJP	NA	NA
+PJ091952	SSSCNEMW 	C37H54N10O15S2	942.3212	NA	PeJP	NA	NA
+PJ091953	CNQMMMW 	C38H58N10O10S4	942.322	NA	PeJP	NA	NA
+PJ091954	GGCQMMMW 	C38H58N10O10S4	942.3221	NA	PeJP	NA	NA
+PJ091955	GSCCNHHW 	C38H50N14O11S2	942.3225	NA	PeJP	NA	NA
+PJ091956	SSSSSNDEM 	C33H54N10O20S	942.3237	NA	PeJP	NA	NA
+PJ091957	SDDEEYW 	C41H50N8O18	942.3243	NA	PeJP	NA	NA
+PJ091958	GPDDDDFY 	C41H50N8O18	942.3244	NA	PeJP	NA	NA
+PJ091959	SSNNEMMM 	C34H58N10O15S3	942.3246	NA	PeJP	NA	NA
+PJ091960	GSSSCNDHH 	C34H50N14O16S	942.325	NA	PeJP	NA	NA
+PJ091961	PCDEMYW 	C42H54N8O13S2	942.3252	NA	PeJP	NA	NA
+PJ091962	PCCCQKMM 	C35H62N10O10S5	942.3254	NA	PeJP	NA	NA
+PJ091963	GCNNMMHH 	C35H54N14O11S3	942.3259	NA	PeJP	NA	NA
+PJ091964	NEEEEMY 	C38H54N8O18S	942.3277	NA	PeJP	NA	NA
+PJ091965	SEEMMMW 	C39H58N8O13S3	942.3286	NA	PeJP	NA	NA
+PJ091966	GPCNDDHW 	C39H50N12O14S	942.3291	NA	PeJP	NA	NA
+PJ091967	GCCCDMRR 	C32H58N14O11S4	942.3293	NA	PeJP	NA	NA
+PJ091968	SCCCRWW 	C40H54N12O9S3	942.3299	NA	PeJP	NA	NA
+PJ091969	SSTEEEMM 	C35H58N8O18S2	942.3311	NA	PeJP	NA	NA
+PJ091970	GNNDEEEH 	C35H50N12O19	942.3316	NA	PeJP	NA	NA
+PJ091971	AAEEMMMM 	C36H62N8O13S4	942.332	NA	PeJP	NA	NA
+PJ091972	SSSCCDRW 	C36H54N12O14S2	942.3324	NA	PeJP	NA	NA
+PJ091973	GGGGGGGGACMY 	C36H54N12O14S2	942.3325	NA	PeJP	NA	NA
+PJ091974	GCNDYWW 	C44H50N10O12S	942.3331	NA	PeJP	NA	NA
+PJ091975	CCNMMRW 	C37H58N12O9S4	942.3333	NA	PeJP	NA	NA
+PJ091976	SSSSSCDDR 	C32H54N12O19S	942.3349	NA	PeJP	NA	NA
+PJ091977	GSSNDDYW 	C40H50N10O17	942.3356	NA	PeJP	NA	NA
+PJ091978	SSCNDMMR 	C33H58N12O14S3	942.3358	NA	PeJP	NA	NA
+PJ091979	CNNNNNNH 	C33H50N16O15S	942.3363	NA	PeJP	NA	NA
+PJ091980	GSSSCMWW 	C41H54N10O12S2	942.3364	NA	PeJP	NA	NA
+PJ091981	GGGPTCCYW 	C41H54N10O12S2	942.3365	NA	PeJP	NA	NA
+PJ091982	PCCCCKMR 	C34H62N12O9S5	942.3367	NA	PeJP	NA	NA
+PJ091983	GCCCQHHR 	C34H54N16O10S3	942.3371	NA	PeJP	NA	NA
+PJ091984	GGACCCHHR 	C34H54N16O10S3	942.3372	NA	PeJP	NA	NA
+PJ091985	GSSSSSDMW 	C37H54N10O17S	942.3389	NA	PeJP	NA	NA
+PJ091986	GGGSNEEMY 	C37H54N10O17S	942.339	NA	PeJP	NA	NA
+PJ091987	GSSNMMMW 	C38H58N10O12S3	942.3398	NA	PeJP	NA	NA
+PJ091988	GCNNDHHF 	C38H50N14O13S	942.3403	NA	PeJP	NA	NA
+PJ091989	CCNFFFY 	C46H54N8O10S2	942.3405	NA	PeJP	NA	NA
+PJ091990	GSSSSSSSEE 	C33H54N10O22	942.3414	NA	PeJP	NA	NA
+PJ091991	GSSSSQEMM 	C34H58N10O17S2	942.3423	NA	PeJP	NA	NA
+PJ091992	GNDDDDHR 	C34H50N14O18	942.3428	NA	PeJP	NA	NA
+PJ091993	GEEEMYW 	C42H54N8O15S	942.343	NA	PeJP	NA	NA
+PJ091994	DEMMMMR 	C35H62N10O12S4	942.3432	NA	PeJP	NA	NA
+PJ091995	GCCNNNRY 	C35H54N14O13S2	942.3437	NA	PeJP	NA	NA
+PJ091996	PCEMMFW 	C43H58N8O10S3	942.3438	NA	PeJP	NA	NA
+PJ091997	GSTEEEEY 	C38H54N8O20	942.3455	NA	PeJP	NA	NA
+PJ091998	GSPEEMMY 	C39H58N8O15S2	942.3463	NA	PeJP	NA	NA
+PJ091999	GAEEEMMF 	C39H58N8O15S2	942.3464	NA	PeJP	NA	NA
+PJ092000	NNDEEHW 	C39H50N12O16	942.3468	NA	PeJP	NA	NA
+PJ092001	SSCCCERR 	C32H58N14O13S3	942.347	NA	PeJP	NA	NA
+PJ092002	VDMMMMW 	C40H62N8O10S4	942.3472	NA	PeJP	NA	NA
+PJ092003	CCNDFRW 	C40H54N12O11S2	942.3477	NA	PeJP	NA	NA
+PJ092004	ATTEEMMM 	C36H62N8O15S3	942.3497	NA	PeJP	NA	NA
+PJ092005	GSCNDERY 	C36H54N12O16S	942.3502	NA	PeJP	NA	NA
+PJ092006	APTMMMMM 	C37H66N8O10S5	942.3506	NA	PeJP	NA	NA
+PJ092007	GSTCCMRW 	C37H58N12O11S3	942.3511	NA	PeJP	NA	NA
+PJ092008	GSCEHHHH 	C37H50N16O12S	942.3515	NA	PeJP	NA	NA
+PJ092009	GCNMFWW 	C45H54N10O9S2	942.3517	NA	PeJP	NA	NA
+PJ092010	SSSSSSSSNN 	C32H54N12O21	942.3527	NA	PeJP	NA	NA
+HMDB00869	Uroporphyrin II	C48H54N4O16	942.35345	http://www.hmdb.ca/metabolites/HMDB00869	HMDB	NA	NA
+HMDB00869	Uroporphyrin II	C48H54N4O16	942.35345	HMDB00869	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00869	Uroporphyrin II	C48H54N4O16	942.353455	NA	HMDB2010	NA	NA
+PJ092011	ASSSTCCER 	C33H58N12O16S2	942.3535	NA	PeJP	NA	NA
+PJ092012	GSSSSCEMR 	C33H58N12O16S2	942.3536	NA	PeJP	NA	NA
+PJ092013	SSSSTCWW 	C41H54N10O14S	942.3542	NA	PeJP	NA	NA
+PJ092014	GSCQMMMR 	C34H62N12O11S4	942.3544	NA	PeJP	NA	NA
+PJ092015	SSCCNHHR 	C34H54N16O12S2	942.3549	NA	PeJP	NA	NA
+PJ092016	SCCKMWW 	C42H58N10O9S3	942.3551	NA	PeJP	NA	NA
+PJ092017	SSSSSSSEW 	C37H54N10O19	942.3567	NA	PeJP	NA	NA
+PJ092018	SSSSQMMW 	C38H58N10O14S2	942.3576	NA	PeJP	NA	NA
+PJ092019	GSNNNDHW 	C38H50N14O15	942.358	NA	PeJP	NA	NA
+PJ092020	GGGSNNDHW 	C38H50N14O15	942.3581	NA	PeJP	NA	NA
+PJ092021	EEMYWW 	C46H54N8O12S	942.3582	NA	PeJP	NA	NA
+PJ092022	CNKMMMW 	C39H62N10O9S4	942.3584	NA	PeJP	NA	NA
+PJ092023	GGCKMMMW 	C39H62N10O9S4	942.3585	NA	PeJP	NA	NA
+PJ092024	SSSSSTQEM 	C34H58N10O19S	942.3601	NA	PeJP	NA	NA
+PJ092025	STEEEYW 	C42H54N8O17	942.3607	NA	PeJP	NA	NA
+PJ092026	SSNDKMMM 	C35H62N10O14S3	942.3609	NA	PeJP	NA	NA
+PJ092027	GGSSDKMMM 	C35H62N10O14S3	942.361	NA	PeJP	NA	NA
+PJ092028	SPCNDDHR 	C35H54N14O15S	942.3614	NA	PeJP	NA	NA
+PJ092029	GGGGGGGGAEMH 	C35H54N14O15S	942.3615	NA	PeJP	NA	NA
+PJ092030	SPEMMYW 	C43H58N8O12S2	942.3616	NA	PeJP	NA	NA
+PJ092031	PCCCKKMM 	C36H66N10O9S5	942.3618	NA	PeJP	NA	NA
+PJ092032	GNDEHWW 	C43H50N12O13	942.3621	NA	PeJP	NA	NA
+PJ092033	CEMMHHR 	C36H58N14O10S3	942.3623	NA	PeJP	NA	NA
+PJ092034	DKEEEMY 	C39H58N8O17S	942.3641	NA	PeJP	NA	NA
+PJ092035	AAPEMMMY 	C40H62N8O12S3	942.365	NA	PeJP	NA	NA
+PJ092036	SCNDRYW 	C40H54N12O13S	942.3654	NA	PeJP	NA	NA
+PJ092037	GGGSPDMHW 	C40H54N12O13S	942.3655	NA	PeJP	NA	NA
+PJ092038	GSCCMMRR 	C33H62N14O10S4	942.3657	NA	PeJP	NA	NA
+PJ092039	AMMMHHW 	C41H58N12O8S3	942.3663	NA	PeJP	NA	NA
+PJ092040	SCHHHHW 	C41H50N16O9S	942.3668	NA	PeJP	NA	NA
+PJ092041	TTTTEEMM 	C36H62N8O17S2	942.3675	NA	PeJP	NA	NA
+PJ092042	SSSNDDRY 	C36H54N12O18	942.3679	NA	PeJP	NA	NA
+PJ092043	GGGGGGGSSSTY 	C36H54N12O18	942.368	NA	PeJP	NA	NA
+PJ092044	GTLEMMMM 	C37H66N8O12S4	942.3683	NA	PeJP	NA	NA
+PJ092045	SSSSCMRW 	C37H58N12O13S2	942.3688	NA	PeJP	NA	NA
+PJ092046	SSSDHHHH 	C37H50N16O14	942.3693	NA	PeJP	NA	NA
+PJ092047	GSNMYWW 	C45H54N10O11S	942.3695	NA	PeJP	NA	NA
+PJ092048	NMMHHHH 	C38H54N16O9S2	942.3702	NA	PeJP	NA	NA
+PJ092049	SSSSSSDMR 	C33H58N12O18S	942.3713	NA	PeJP	NA	NA
+PJ092050	GSSSQEYW 	C41H54N10O16	942.372	NA	PeJP	NA	NA
+PJ092051	SSSNMMMR 	C34H62N12O13S3	942.3722	NA	PeJP	NA	NA
+PJ092052	GCNNNEHR 	C34H54N16O14S	942.3727	NA	PeJP	NA	NA
+PJ092053	GQQMMYW 	C42H58N10O11S2	942.3728	NA	PeJP	NA	NA
+PJ092054	GGGGAPCMFF 	C42H58N10O11S2	942.3729	NA	PeJP	NA	NA
+MJ098281	Jaspogeranoside A 	C44H62O22	942.373273	NA	MeJP	NA	NA
+MJ098282	Jaspolinaloside B 	C44H62O22	942.373273	NA	MeJP	NA	NA
+PJ092055	PDDHHHW 	C42H50N14O12	942.3733	NA	PeJP	NA	NA
+PJ092056	GCCCKHHR 	C35H58N16O9S3	942.3735	NA	PeJP	NA	NA
+PJ092057	GSSSSTTMW 	C38H58N10O16S	942.3753	NA	PeJP	NA	NA
+PJ092058	GGGSPPPDEM 	C38H58N10O16S	942.3754	NA	PeJP	NA	NA
+PJ092059	GPEEYYW 	C46H54N8O14	942.376	NA	PeJP	NA	NA
+PJ092060	GSTCKMMW 	C39H62N10O11S3	942.3762	NA	PeJP	NA	NA
+PJ092061	NNNQMHW 	C39H54N14O12S	942.3767	NA	PeJP	NA	NA
+PJ092062	PPCMFYW 	C47H58N8O9S2	942.3769	NA	PeJP	NA	NA
+PJ092063	NDHWWW 	C47H50N12O10	942.3773	NA	PeJP	NA	NA
+PJ092064	GSSSSSTTTE 	C34H58N10O21	942.3778	NA	PeJP	NA	NA
+PJ092065	GSSSSKEMM 	C35H62N10O16S2	942.3787	NA	PeJP	NA	NA
+PJ092066	GSNDEEHR 	C35H54N14O17	942.3792	NA	PeJP	NA	NA
+PJ092067	SVEEMYW 	C43H58N8O14S	942.3794	NA	PeJP	NA	NA
+PJ092068	GSQKMMMM 	C36H66N10O11S4	942.3796	NA	PeJP	NA	NA
+PJ092069	CCNERRY 	C36H58N14O12S2	942.38	NA	PeJP	NA	NA
+PJ092070	GGCCERRY 	C36H58N14O12S2	942.3801	NA	PeJP	NA	NA
+PJ092071	PCLMMYW 	C44H62N8O9S3	942.3802	NA	PeJP	NA	NA
+PJ092072	GNNNNHHH 	C36H50N18O13	942.3805	NA	PeJP	NA	NA
+PJ092073	GGGGGGGGGHHH 	C36H50N18O13	942.3806	NA	PeJP	NA	NA
+PJ092074	SPCQHWW 	C44H54N12O10S	942.3807	NA	PeJP	NA	NA
+PJ092075	SSSLEEEY 	C39H58N8O19	942.3818	NA	PeJP	NA	NA
+PJ092076	ATTTEEEY 	C39H58N8O19	942.3819	NA	PeJP	NA	NA
+PJ092077	LQEEMMY 	C40H62N8O14S2	942.3827	NA	PeJP	NA	NA
+PJ092078	SQQEEHW 	C40H54N12O15	942.3832	NA	PeJP	NA	NA
+PJ092079	SSTCCMRR 	C33H62N14O12S3	942.3834	NA	PeJP	NA	NA
+PJ092080	TLMMMMW 	C41H66N8O9S4	942.3836	NA	PeJP	NA	NA
+PJ092081	GCQMRYW 	C41H58N12O10S2	942.3841	NA	PeJP	NA	NA
+PJ092082	NDHHHHF 	C41H50N16O11	942.3845	NA	PeJP	NA	NA
+PJ092083	GGDHHHHF 	C41H50N16O11	942.3846	NA	PeJP	NA	NA
+PJ092084	GCHFFFW 	C49H54N10O8S	942.3847	NA	PeJP	NA	NA
+PJ092085	STTLEMMM 	C37H66N8O14S3	942.3861	NA	PeJP	NA	NA
+PJ092086	GSSNEMRY 	C37H58N12O15S	942.3866	NA	PeJP	NA	NA
+PJ092087	GVLMMMMM 	C38H70N8O9S5	942.387	NA	PeJP	NA	NA
+PJ092088	SSSQYWW 	C45H54N10O13	942.3872	NA	PeJP	NA	NA
+PJ092089	APCCCKRY 	C38H62N12O10S3	942.3874	NA	PeJP	NA	NA
+PJ092090	GGGGMMMFR 	C38H62N12O10S3	942.3875	NA	PeJP	NA	NA
+PJ092091	CNNNHRW 	C38H54N16O11S	942.3879	NA	PeJP	NA	NA
+PJ092092	ACCKFWW 	C46H58N10O8S2	942.3881	NA	PeJP	NA	NA
+PJ092093	GSSSSTMMR 	C34H62N12O15S2	942.3899	NA	PeJP	NA	NA
+PJ092094	SSNNNDHR 	C34H54N16O16	942.3904	NA	PeJP	NA	NA
+PJ092095	SNDKMYW 	C42H58N10O13S	942.3906	NA	PeJP	NA	NA
+PJ092096	GSCKMMMR 	C35H66N12O10S4	942.3908	NA	PeJP	NA	NA
+PJ092097	PEYYWW 	C50H54N8O11	942.3912	NA	PeJP	NA	NA
+PJ092098	GPCCDHRR 	C35H58N16O11S2	942.3913	NA	PeJP	NA	NA
+PJ092099	CKMMHFF 	C43H62N10O8S3	942.3915	NA	PeJP	NA	NA
+PJ092100	SSSSSTTTW 	C38H58N10O18	942.3931	NA	PeJP	NA	NA
+PJ092101	SSSSKMMW 	C39H62N10O13S2	942.3939	NA	PeJP	NA	NA
+PJ092102	VDEMMRY 	C39H62N10O13S2	942.394	NA	PeJP	NA	NA
+PJ092103	SNDEHRW 	C39H54N14O14	942.3944	NA	PeJP	NA	NA
+PJ092104	GGGGGGGTTHW 	C39H54N14O14	942.3945	NA	PeJP	NA	NA
+PJ092105	SPPMYYW 	C47H58N8O11S	942.3946	NA	PeJP	NA	NA
+PJ092106	PMMMMFR 	C40H66N10O8S4	942.3948	NA	PeJP	NA	NA
+PJ092107	GCCRRYW 	C40H58N14O9S2	942.3953	NA	PeJP	NA	NA
+PJ092108	MHHFWW 	C48H54N12O7S	942.396	NA	PeJP	NA	NA
+PJ092109	SSSSSTKEM 	C35H62N10O18S	942.3964	NA	PeJP	NA	NA
+PJ092110	GSSSSSSTLM 	C35H62N10O18S	942.3965	NA	PeJP	NA	NA
+PJ092111	PDKEEYY 	C43H58N8O16	942.3971	NA	PeJP	NA	NA
+PJ092112	SSTQKMMM 	C36H66N10O13S3	942.3973	NA	PeJP	NA	NA
+PJ092113	GSSCDRRY 	C36H58N14O14S	942.3978	NA	PeJP	NA	NA
+PJ092114	ALEMMYW 	C44H62N8O11S2	942.398	NA	PeJP	NA	NA
+PJ092115	LMMMMMR 	C37H70N10O8S5	942.3982	NA	PeJP	NA	NA
+PJ092116	GTQEHWW 	C44H54N12O12	942.3985	NA	PeJP	NA	NA
+PJ092117	CCQMFRR 	C37H62N14O9S3	942.3987	NA	PeJP	NA	NA
+PJ092118	GTTLEEMY 	C40H62N8O16S	942.4005	NA	PeJP	NA	NA
+PJ092119	GPTLMMMY 	C41H66N8O11S3	942.4014	NA	PeJP	NA	NA
+PJ092120	SSNMRYW 	C41H58N12O12S	942.4018	NA	PeJP	NA	NA
+PJ092121	GGGGGGAPPMW 	C41H58N12O12S	942.4019	NA	PeJP	NA	NA
+PJ092122	GPPDWWW 	C49H54N10O10	942.4025	NA	PeJP	NA	NA
+PJ092123	SSSSQERY 	C37H58N12O17	942.4043	NA	PeJP	NA	NA
+PJ092124	GGGGGGPVQEE 	C37H58N12O17	942.4044	NA	PeJP	NA	NA
+PJ092125	SSLLMMMM 	C38H70N8O11S4	942.4047	NA	PeJP	NA	NA
+PJ092126	SQQMMRY 	C38H62N12O12S2	942.4052	NA	PeJP	NA	NA
+PJ092127	SSTTHHHH 	C38H54N16O13	942.4057	NA	PeJP	NA	NA
+PJ092128	GTCKYWW 	C46H58N10O10S	942.4058	NA	PeJP	NA	NA
+PJ092129	GPPPTCWW 	C46H58N10O10S	942.4059	NA	PeJP	NA	NA
+PJ092130	SSSSSTTMR 	C34H62N12O17S	942.4077	NA	PeJP	NA	NA
+PJ092131	GSSSKEYW 	C42H58N10O15	942.4083	NA	PeJP	NA	NA
+PJ092132	TLEEEHW 	C42H58N10O15	942.4084	NA	PeJP	NA	NA
+PJ092133	SSTCKMMR 	C35H66N12O12S3	942.4086	NA	PeJP	NA	NA
+PJ092134	NDDMHRR 	C35H58N16O13S	942.409	NA	PeJP	NA	NA
+PJ092135	GGDDMHRR 	C35H58N16O13S	942.4091	NA	PeJP	NA	NA
+PJ092136	GQKMMYW 	C43H62N10O10S2	942.4092	NA	PeJP	NA	NA
+PJ092137	GSDHRWW 	C43H54N14O11	942.4097	NA	PeJP	NA	NA
+PJ092138	PPCFFFW 	C51H58N8O8S	942.4099	NA	PeJP	NA	NA
+PJ092139	GSTQKEMY 	C39H62N10O15S	942.4117	NA	PeJP	NA	NA
+PJ092140	SPVEYYW 	C47H58N8O13	942.4124	NA	PeJP	NA	NA
+PJ092141	APCCKKMY 	C40H66N10O10S3	942.4126	NA	PeJP	NA	NA
+PJ092142	NNNKMHW 	C40H58N14O11S	942.413	NA	PeJP	NA	NA
+PJ092143	GQEMHRW 	C40H58N14O11S	942.4131	NA	PeJP	NA	NA
+PJ092144	PCLMFFW 	C48H62N8O8S2	942.4132	NA	PeJP	NA	NA
+PJ092145	TQHWWW 	C48H54N12O9	942.4137	NA	PeJP	NA	NA
+PJ092146	SSSSSSSTTL 	C35H62N10O20	942.4142	NA	PeJP	NA	NA
+PJ092147	GSSTTTKMM 	C36H66N10O15S2	942.4151	NA	PeJP	NA	NA
+PJ092148	SSSSSSKHH 	C36H58N14O16	942.4155	NA	PeJP	NA	NA
+PJ092149	GSTQEEHR 	C36H58N14O16	942.4156	NA	PeJP	NA	NA
+PJ092150	TTLEMYW 	C44H62N8O13S	942.4157	NA	PeJP	NA	NA
+PJ092151	GALEEMFF 	C44H62N8O13S	942.4158	NA	PeJP	NA	NA
+PJ092152	GSKKMMMM 	C37H70N10O10S4	942.416	NA	PeJP	NA	NA
+PJ092153	SCQMRRY 	C37H62N14O11S2	942.4164	NA	PeJP	NA	NA
+PJ092154	GGGGPCCKKH 	C37H62N14O11S2	942.4165	NA	PeJP	NA	NA
+PJ092155	VVMMMFW 	C45H66N8O8S3	942.4166	NA	PeJP	NA	NA
+PJ092156	NNEHHHR 	C37H54N18O12	942.4169	NA	PeJP	NA	NA
+PJ092157	GVQMHWW 	C45H58N12O9S	942.4171	NA	PeJP	NA	NA
+PJ092158	STTTLEEY 	C40H62N8O18	942.4182	NA	PeJP	NA	NA
+PJ092159	PPTLEEEE 	C40H62N8O18	942.4183	NA	PeJP	NA	NA
+PJ092160	LKEEMMY 	C41H66N8O13S2	942.4191	NA	PeJP	NA	NA
+PJ092161	GSSSTRYW 	C41H58N12O14	942.4196	NA	PeJP	NA	NA
+PJ092162	GSCNNHRR 	C34H58N18O12S	942.4203	NA	PeJP	NA	NA
+PJ092163	GCKMRYW 	C42H62N12O9S2	942.4205	NA	PeJP	NA	NA
+PJ092164	AQQHHHW 	C42H54N16O10	942.4209	NA	PeJP	NA	NA
+PJ092165	GSTTQMRY 	C38H62N12O14S	942.4229	NA	PeJP	NA	NA
+PJ092166	GSSDKMRY 	C38H62N12O14S	942.423	NA	PeJP	NA	NA
+PJ092167	SSSKYWW 	C46H58N10O12	942.4236	NA	PeJP	NA	NA
+PJ092168	CQKMMFR 	C39H66N12O9S3	942.4238	NA	PeJP	NA	NA
+PJ092169	GCEHRRW 	C39H58N16O10S	942.4243	NA	PeJP	NA	NA
+PJ092170	GSSDEHRR 	C35H58N16O15	942.4268	NA	PeJP	NA	NA
+PJ092171	STQKMYW 	C43H62N10O12S	942.427	NA	PeJP	NA	NA
+PJ092172	CCCCKKKK 	C36H70N12O9S4	942.4272	NA	PeJP	NA	NA
+MJ098283	Silenin C 	C51H58N8O10	942.42759	NA	MeJP	NA	NA
+PJ092173	LEFYWW 	C51H58N8O10	942.4276	NA	PeJP	NA	NA
+PJ092174	SCCRRRY 	C36H62N16O10S2	942.4277	NA	PeJP	NA	NA
+PJ092175	QMHRWW 	C44H58N14O8S	942.4283	NA	PeJP	NA	NA
+PJ092176	SSSDKKEY 	C39H62N10O17	942.4295	NA	PeJP	NA	NA
+PJ092177	TLEMMRY 	C40H66N10O12S2	942.4303	NA	PeJP	NA	NA
+PJ092178	GGKKEMMY 	C40H66N10O12S2	942.4304	NA	PeJP	NA	NA
+PJ092179	STQEHRW 	C40H58N14O13	942.4308	NA	PeJP	NA	NA
+PJ092180	GGGGGGGGGPKW 	C40H58N14O13	942.4309	NA	PeJP	NA	NA
+PJ092181	APLMYYW 	C48H62N8O10S	942.431	NA	PeJP	NA	NA
+PJ092182	CLMHHFR 	C41H62N14O8S2	942.4317	NA	PeJP	NA	NA
+PJ092183	GNHHHRW 	C41H54N18O9	942.4322	NA	PeJP	NA	NA
+PJ092184	SSSTTTTKM 	C36H66N10O17S	942.4328	NA	PeJP	NA	NA
+PJ092185	VLQEEYY 	C44H62N8O15	942.4335	NA	PeJP	NA	NA
+PJ092186	SSTKKMMM 	C37H70N10O12S3	942.4337	NA	PeJP	NA	NA
+PJ092187	GSSSMRRY 	C37H62N14O13S	942.4342	NA	PeJP	NA	NA
+PJ092188	SLLMMYW 	C45H66N8O10S2	942.4344	NA	PeJP	NA	NA
+PJ092189	SPPDRWW 	C45H58N12O11	942.4348	NA	PeJP	NA	NA
+PJ092190	GGGGPVQWW 	C45H58N12O11	942.4349	NA	PeJP	NA	NA
+PJ092191	CCKMFRR 	C38H66N14O8S3	942.4351	NA	PeJP	NA	NA
+PJ092192	SSTLLEMY 	C41H66N8O15S	942.4369	NA	PeJP	NA	NA
+PJ092193	AALLMMMY 	C42H70N8O10S3	942.4377	NA	PeJP	NA	NA
+PJ092194	STCKRYW 	C42H62N12O11S	942.4382	NA	PeJP	NA	NA
+PJ092195	APPTWWW 	C50H58N10O9	942.4389	NA	PeJP	NA	NA
+PJ092196	CHRRWW 	C43H58N16O7S	942.4396	NA	PeJP	NA	NA
+MJ098284	Keramamide A 	C49H63ClN8O9	942.440653	NA	MeJP	NA	NA
+PJ092197	SSSSKERY 	C38H62N12O16	942.4407	NA	PeJP	NA	NA
+PJ092198	SQKMMRY 	C39H66N12O11S2	942.4416	NA	PeJP	NA	NA
+PJ092199	SSDHRRW 	C39H58N16O12	942.442	NA	PeJP	NA	NA
+PJ092200	GGNQQHFR 	C39H58N16O12	942.4421	NA	PeJP	NA	NA
+PJ092201	PPVQMWW 	C47H62N10O9S	942.4422	NA	PeJP	NA	NA
+PJ092202	GSTTTKYW 	C43H62N10O14	942.4447	NA	PeJP	NA	NA
+PJ092203	GGGPLLDEW 	C43H62N10O14	942.4448	NA	PeJP	NA	NA
+PJ092204	SQEMHRR 	C36H62N16O12S	942.4454	NA	PeJP	NA	NA
+PJ092205	GKKMMYW 	C44H66N10O9S2	942.4456	NA	PeJP	NA	NA
+MJ098285	3,16-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-[?-L-arabinopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C46H70O20	942.446044	NA	MeJP	NA	NA
+PJ092206	GTTHRWW 	C44H58N14O10	942.4461	NA	PeJP	NA	NA
+PJ092207	GSTKKEMY 	C40H66N10O14S	942.4481	NA	PeJP	NA	NA
+PJ092208	AVLEYYW 	C48H62N8O12	942.4487	NA	PeJP	NA	NA
+PJ092209	GLLEYYW 	C48H62N8O12	942.4488	NA	PeJP	NA	NA
+PJ092210	VLMMMRY 	C41H70N10O9S3	942.449	NA	PeJP	NA	NA
+PJ092211	ADKMHRW 	C41H62N14O10S	942.4494	NA	PeJP	NA	NA
+PJ092212	PPCERRW 	C41H62N14O10S	942.4495	NA	PeJP	NA	NA
+PJ092213	TKHWWW 	C49H58N12O8	942.4501	NA	PeJP	NA	NA
+PJ092214	SSSSTRRY 	C37H62N14O15	942.4519	NA	PeJP	NA	NA
+PJ092215	PQEEERR 	C37H62N14O15	942.452	NA	PeJP	NA	NA
+PJ092216	PLKEMYY 	C45H66N8O12S	942.4521	NA	PeJP	NA	NA
+PJ092217	SCKMRRY 	C38H66N14O10S2	942.4528	NA	PeJP	NA	NA
+PJ092218	NDKHHHR 	C38H58N18O11	942.4533	NA	PeJP	NA	NA
+PJ092219	APPMRWW 	C46H62N12O8S	942.4535	NA	PeJP	NA	NA
+PJ092220	PVVLEEEE 	C41H66N8O17	942.4546	NA	PeJP	NA	NA
+PJ092221	ATTLLMMY 	C42H70N8O12S2	942.4555	NA	PeJP	NA	NA
+PJ092222	PVQEERW 	C42H62N12O13	942.456	NA	PeJP	NA	NA
+PJ092223	SCEHRRR 	C35H62N18O11S	942.4567	NA	PeJP	NA	NA
+PJ092224	LKMMHHF 	C43H66N12O8S2	942.4568	NA	PeJP	NA	NA
+PJ092225	PPNHHRW 	C43H58N16O9	942.4573	NA	PeJP	NA	NA
+PJ092226	GSTTKMRY 	C39H66N12O13S	942.4593	NA	PeJP	NA	NA
+PJ092227	GPPKEEMR 	C39H66N12O13S	942.4594	NA	PeJP	NA	NA
+PJ092228	PPTKEWW 	C47H62N10O11	942.46	NA	PeJP	NA	NA
+PJ092229	CKKMMFR 	C40H70N12O8S3	942.4602	NA	PeJP	NA	NA
+PJ092230	GTMHRRW 	C40H62N16O9S	942.4607	NA	PeJP	NA	NA
+PJ092231	PDDERRR 	C36H62N16O14	942.4632	NA	PeJP	NA	NA
+PJ092232	STKKMYW 	C44H66N10O11S	942.4633	NA	PeJP	NA	NA
+PJ092233	GPPVKEMW 	C44H66N10O11S	942.4634	NA	PeJP	NA	NA
+PJ092234	LLYYWW 	C52H62N8O9	942.464	NA	PeJP	NA	NA
+PJ092235	GGVMMHRR 	C37H66N16O9S2	942.4641	NA	PeJP	NA	NA
+PJ092236	SNHHHRR 	C37H58N20O10	942.4645	NA	PeJP	NA	NA
+PJ092237	KMHRWW 	C45H62N14O7S	942.4647	NA	PeJP	NA	NA
+PJ092238	TTTTTQKY 	C40H66N10O16	942.4658	NA	PeJP	NA	NA
+PJ092239	SSTTKKEY 	C40H66N10O16	942.4659	NA	PeJP	NA	NA
+PJ092240	DKKKMMY 	C41H70N10O11S2	942.4667	NA	PeJP	NA	NA
+PJ092241	GGGAPPLLMM 	C41H70N10O11S2	942.4668	NA	PeJP	NA	NA
+PJ092242	APEERRW 	C41H62N14O12	942.4672	NA	PeJP	NA	NA
+PJ092243	ALLMFYW 	C49H66N8O9S	942.4674	NA	PeJP	NA	NA
+PJ092244	VLKEEYY 	C45H66N8O14	942.4699	NA	PeJP	NA	NA
+PJ092245	GPPTEMRR 	C38H66N14O12S	942.4706	NA	PeJP	NA	NA
+PJ092246	AALLMMFF 	C46H70N8O9S2	942.4708	NA	PeJP	NA	NA
+PJ092247	GPLERWW 	C46H62N12O10	942.4712	NA	PeJP	NA	NA
+PJ092248	TTTTLLMY 	C42H70N8O14S	942.4732	NA	PeJP	NA	NA
+PJ092249	NNQQQRR 	C35H62N18O13	942.4744	NA	PeJP	NA	NA
+PJ092250	GGGGGGGGGVRR 	C35H62N18O13	942.4745	NA	PeJP	NA	NA
+PJ092251	PPKEMRW 	C43H66N12O10S	942.4746	NA	PeJP	NA	NA
+PJ092252	APVVWWW 	C51H62N10O8	942.4752	NA	PeJP	NA	NA
+PJ092253	GPVLWWW 	C51H62N10O8	942.4753	NA	PeJP	NA	NA
+PJ092254	SSTTTKRY 	C39H66N12O15	942.4771	NA	PeJP	NA	NA
+PJ092255	SKKMMRY 	C40H70N12O10S2	942.478	NA	PeJP	NA	NA
+PJ092256	STTHRRW 	C40H62N16O11	942.4784	NA	PeJP	NA	NA
+PJ092257	GGGGPTRRW 	C40H62N16O11	942.4785	NA	PeJP	NA	NA
+PJ092258	PPVKMWW 	C48H66N10O8S	942.4786	NA	PeJP	NA	NA
+PJ092259	AAPLKEEW 	C44H66N10O13	942.4811	NA	PeJP	NA	NA
+PJ092260	SKEMHRR 	C37H66N16O11S	942.4818	NA	PeJP	NA	NA
+PJ092261	LLLMMHW 	C45H70N10O8S2	942.482	NA	PeJP	NA	NA
+MJ098286	12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-O-[?-L-arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098287	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098288	28-Nor-12-oleanene-2,3,16,17,23-pentol, 16-Ketone, 3-O-[?-L-arabinopyranosyl-(1?6)-2-O-acetyl-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098289	3,12,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098290	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098291	3,16,29-Trihydroxycycloart-24-en-26,22-olide, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-?-L-arabinopyranoside] 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098292	3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid, 23-Aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098293	3,21-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098294	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside] 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098295	3,23-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098296	Furosta-5,25(27)-diene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-4-O-acetyl-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside 	C47H74O19	942.48243	NA	MeJP	NA	NA
+MJ098297	Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside] 	C47H74O19	942.48243	NA	MeJP	NA	NA
+PJ092262	GPNKRWW 	C45H62N14O9	942.4825	NA	PeJP	NA	NA
+PJ092263	SSSLKKMY 	C41H70N10O13S	942.4845	NA	PeJP	NA	NA
+PJ092264	SVLLYYW 	C49H66N8O11	942.4851	NA	PeJP	NA	NA
+PJ092265	GALLEFFF 	C49H66N8O11	942.4852	NA	PeJP	NA	NA
+PJ092266	KKKMMMF 	C42H74N10O8S3	942.4854	NA	PeJP	NA	NA
+PJ092267	NNNNRRR 	C34H62N20O12	942.4856	NA	PeJP	NA	NA
+PJ092268	GGNNNRRR 	C34H62N20O12	942.4857	NA	PeJP	NA	NA
+PJ092269	PPTMRRW 	C42H66N14O9S	942.4858	NA	PeJP	NA	NA
+PJ092270	PLRWWW 	C50H62N12O7	942.4865	NA	PeJP	NA	NA
+PJ092271	PKEEERR 	C38H66N14O14	942.4883	NA	PeJP	NA	NA
+PJ092272	GGGPDKKER 	C38H66N14O14	942.4884	NA	PeJP	NA	NA
+PJ092273	LLLQMYY 	C46H70N8O11S	942.4885	NA	PeJP	NA	NA
+PJ092274	GPPVMMRR 	C39H70N14O9S2	942.4892	NA	PeJP	NA	NA
+PJ092275	GDHFRRR 	C39H62N18O10	942.4897	NA	PeJP	NA	NA
+PJ092276	PTLLLEEE 	C42H70N8O16	942.491	NA	PeJP	NA	NA
+PJ092277	PPLLLEMM 	C43H74N8O11S2	942.4919	NA	PeJP	NA	NA
+PJ092278	PQQKKEW 	C43H66N12O12	942.4923	NA	PeJP	NA	NA
+PJ092279	PVKEERW 	C43H66N12O12	942.4924	NA	PeJP	NA	NA
+PJ092280	STMHRRR 	C36H66N18O10S	942.493	NA	PeJP	NA	NA
+PJ092281	GGPNMRRR 	C36H66N18O10S	942.4931	NA	PeJP	NA	NA
+PJ092282	AAHFRRW 	C44H62N16O8	942.4937	NA	PeJP	NA	NA
+PJ092283	SPPVKEMR 	C40H70N12O12S	942.4957	NA	PeJP	NA	NA
+PJ092284	GGGGGGPLLKM 	C40H70N12O12S	942.4958	NA	PeJP	NA	NA
+PJ092285	PVVKEWW 	C48H66N10O10	942.4964	NA	PeJP	NA	NA
+PJ092286	PCKHFRR 	C41H66N16O8S	942.4971	NA	PeJP	NA	NA
+PJ092287	PTEERRR 	C37H66N16O13	942.4996	NA	PeJP	NA	NA
+PJ092288	VVLMRYY 	C45H70N10O10S	942.4997	NA	PeJP	NA	NA
+PJ092289	APPTLKMW 	C45H70N10O10S	942.4998	NA	PeJP	NA	NA
+PJ092290	ALLFFFW 	C53H66N8O8	942.5004	NA	PeJP	NA	NA
+PJ092291	TTTTTKKY 	C41H70N10O15	942.5022	NA	PeJP	NA	NA
+PJ092292	APLKKEEE 	C41H70N10O15	942.5023	NA	PeJP	NA	NA
+PJ092293	SVLLLMMH 	C42H74N10O10S2	942.5031	NA	PeJP	NA	NA
+PJ092294	SPLERRW 	C42H66N14O11	942.5036	NA	PeJP	NA	NA
+PJ092295	GTTLLLYY 	C46H70N8O13	942.5063	NA	PeJP	NA	NA
+PJ092296	AAPLEMRR 	C39H70N14O11S	942.507	NA	PeJP	NA	NA
+PJ092297	SPVLRWW 	C47H66N12O9	942.5076	NA	PeJP	NA	NA
+PJ092298	PVLLLEEM 	C43H74N8O13S	942.5097	NA	PeJP	NA	NA
+PJ092299	AQQERRR 	C36H66N18O12	942.5108	NA	PeJP	NA	NA
+PJ092300	PLLQMRW 	C44H70N12O9S	942.511	NA	PeJP	NA	NA
+PJ092301	APTLKEER 	C40H70N12O14	942.5135	NA	PeJP	NA	NA
+PJ092302	APPLKMMR 	C41H74N12O9S2	942.5144	NA	PeJP	NA	NA
+PJ092303	SPNKRRW 	C41H66N16O10	942.5148	NA	PeJP	NA	NA
+PJ092304	GPTLLKEW 	C45H70N10O12	942.5175	NA	PeJP	NA	NA
+PJ092305	PVEMRRR 	C38H70N16O10S	942.5182	NA	PeJP	NA	NA
+C08791	Carnosifloside III	C48H78O18	942.5188	NA	KEGG	NA	NA
+C08923	Arvensoside A	C48H78O18	942.5188	NA	KEGG	NA	NA
+C08958	Lemmatoxin	C48H78O18	942.5188	NA	KEGG	NA	NA
+C08963	Oleanoglycotoxin-A	C48H78O18	942.5188	NA	KEGG	NA	NA
+C08983	Soyasaponin I	C48H78O18	942.5188	NA	KEGG	NA	NA
+PJ092306	AVKHFRW 	C46H66N14O8	942.5188	NA	PeJP	NA	NA
+MJ098298	11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098299	12-Oleanene-2,3,28-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098300	12-Oleanene-3,21,22-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098301	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098302	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098303	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098304	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-galactopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098305	12-Oleanene-3,22,30-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098306	12-Ursene-3,21,28-triol, 28-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 21-O-?-D-glucopyranoside 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098307	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098308	13,28-Epoxy-11-oleanene-3,16,23-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098309	13,28-Epoxy-3,16,22-oleananetriol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-L-arabinopyranoside], 22-Ac 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098310	16,18;16,22-Diepoxydammar-24-ene-3,20-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098311	16,18;16,22-Diepoxydammar-24-ene-3,20-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098312	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098313	20(29)-Lupene-3,23,28-triol, 28-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098314	20(29)-Lupene-3,23,28-triol; 3?-form, 28-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098315	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-3-O-acetyl-?-D-xylopyranoside], 6-O-?-D-xylopyranoside 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098316	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-acetyl-?-D-xylopyranoside], 6-O-?-D-xylopyranoside 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098317	3,11-Dihydroxy-20(29)-lupen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098318	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098319	3,22,30-Trihydroxycycloart-24-en-21-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098320	3,23-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098321	3,29-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098322	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098323	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098324	3-Hydroxy-20(29)-lupen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098325	Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098326	Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098327	Cucurbita-5,24-diene-3,11,26-triol, 11-Ketone, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098328	Hederagenin 28-glycosyl esters; 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098329	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098330	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098331	Jujubogenin; 3-O-[?-D-Glucopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098332	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098333	Oleanolic acid bisdesmosides; Triglycosides, 3-O-?-D-Glucopyranoside, 28-O-[?-D-galactopyranosyl-(1?4)-?-D-glucopyranosyl] ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098334	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098335	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098336	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+MJ098337	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O18	942.518815	NA	MeJP	NA	NA
+PJ092307	GLKHFRW 	C46H66N14O8	942.5189	NA	PeJP	NA	NA
+PJ092308	PPTLKKEM 	C42H74N10O12S	942.5209	NA	PeJP	NA	NA
+PJ092309	PLLKFYY 	C50H70N8O10	942.5215	NA	PeJP	NA	NA
+PJ092310	GNERRRR 	C35H66N20O11	942.522	NA	PeJP	NA	NA
+PJ092311	GGGERRRR 	C35H66N20O11	942.5221	NA	PeJP	NA	NA
+PJ092312	PVVMRRW 	C43H70N14O8S	942.5222	NA	PeJP	NA	NA
+HMDB09928	PIP(16:0/20:2(11Z,14Z))	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB09951	PIP(18:0/18:2(9Z,12Z))	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB09961	PIP(18:1(11Z)/18:1(11Z))	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB09962	PIP(18:1(11Z)/18:1(9Z))	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB09973	PIP(18:1(9Z)/18:1(11Z))	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB09974	PIP(18:1(9Z)/18:1(9Z))	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB09984	PIP(18:2(9Z,12Z)/18:0)	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+HMDB10003	PIP(20:2(11Z,14Z)/16:0)	C45H84O16P2	942.523438	NA	HMDB2010	NA	NA
+MJ098338	Cephalostatin 2; 14'?,15'?-Epoxide 	C54H74N2O12	942.524175	NA	MeJP	NA	NA
+PJ092313	LLQEERR 	C39H70N14O13	942.5247	NA	PeJP	NA	NA
+PJ092314	GGGGGGGGVLKK 	C39H70N14O13	942.5248	NA	PeJP	NA	NA
+PJ092315	LLLKMYY 	C47H74N8O10S	942.5249	NA	PeJP	NA	NA
+PJ092316	LKKMMHR 	C40H74N14O8S2	942.5256	NA	PeJP	NA	NA
+PJ092317	AAQRRRW 	C40H66N18O9	942.5261	NA	PeJP	NA	NA
+PJ092318	VVLLLEEE 	C43H74N8O15	942.5274	NA	PeJP	NA	NA
+PJ092319	VLLQERW 	C44H70N12O11	942.5287	NA	PeJP	NA	NA
+PJ092320	GGLLLERW 	C44H70N12O11	942.5288	NA	PeJP	NA	NA
+PJ092321	PCQKRRR 	C37H70N18O9S	942.5294	NA	PeJP	NA	NA
+PJ092322	GPLLKEMR 	C41H74N12O11S	942.5321	NA	PeJP	NA	NA
+PJ092323	PTLLKWW 	C49H70N10O9	942.5328	NA	PeJP	NA	NA
+PJ092324	ASPTQKRR 	C38H70N16O12	942.5359	NA	PeJP	NA	NA
+PJ092325	VVEERRR 	C38H70N16O12	942.536	NA	PeJP	NA	NA
+PJ092326	GPVLLKMW 	C46H74N10O9S	942.5361	NA	PeJP	NA	NA
+PJ092327	NRRRRW 	C39H66N20O8	942.5373	NA	PeJP	NA	NA
+PJ092328	SPLLKKEE 	C42H74N10O14	942.5386	NA	PeJP	NA	NA
+PJ092329	GAALLLKEE 	C42H74N10O14	942.5387	NA	PeJP	NA	NA
+PJ092330	PPVLKKMM 	C43H78N10O9S2	942.5395	NA	PeJP	NA	NA
+PJ092331	ALLERRW 	C43H70N14O10	942.54	NA	PeJP	NA	NA
+MJ098339	Cyanopeptolin B; 4'-N-Me 	C47H74N8O12	942.542619	NA	MeJP	NA	NA
+PJ092332	PPVLLLEY 	C47H74N8O12	942.5427	NA	PeJP	NA	NA
+PJ092333	GPTLLMRR 	C40H74N14O10S	942.5434	NA	PeJP	NA	NA
+PJ092334	GLLLRWW 	C48H70N12O8	942.544	NA	PeJP	NA	NA
+PJ092335	AQKERRR 	C37H70N18O11	942.5472	NA	PeJP	NA	NA
+PJ092336	PLLKMRW 	C45H74N12O8S	942.5474	NA	PeJP	NA	NA
+PJ092337	GVLLKEER 	C41H74N12O13	942.5499	NA	PeJP	NA	NA
+PJ092338	GLQKRRW 	C42H70N16O9	942.5512	NA	PeJP	NA	NA
+PJ092339	AALLLKEW 	C46H74N10O11	942.5539	NA	PeJP	NA	NA
+PJ092340	PQKKMRR 	C39H74N16O9S	942.5546	NA	PeJP	NA	NA
+PJ092341	PVVLKKEM 	C43H78N10O11S	942.5573	NA	PeJP	NA	NA
+PJ092342	LLLKFFY 	C51H74N8O9	942.5579	NA	PeJP	NA	NA
+PJ092343	GDKRRRR 	C36H70N20O10	942.5584	NA	PeJP	NA	NA
+PJ092344	LLKEERR 	C40H74N14O12	942.5611	NA	PeJP	NA	NA
+MJ098340	Patellin 3 	C48H78N8O9S	942.561246	NA	MeJP	NA	NA
+PJ092345	PPLLLLMF 	C48H78N8O9S	942.5613	NA	PeJP	NA	NA
+PJ092346	AAKRRRW 	C41H70N18O8	942.5625	NA	PeJP	NA	NA
+PJ092347	TLLLLLEE 	C44H78N8O14	942.5638	NA	PeJP	NA	NA
+MJ098341	Rzedowskia bistriterpenoid 	C60H78O9	942.564584	NA	MeJP	NA	NA
+MJ098342	Scutionin àA 	C60H78O9	942.564584	NA	MeJP	NA	NA
+MJ098343	Xuxuarine E? 	C60H78O9	942.564584	NA	MeJP	NA	NA
+PJ092348	PLLLLLMM 	C45H82N8O9S2	942.5647	NA	PeJP	NA	NA
+PJ092349	VLLKERW 	C45H74N12O10	942.5651	NA	PeJP	NA	NA
+PJ092350	PCKKRRR 	C38H74N18O8S	942.5658	NA	PeJP	NA	NA
+MJ098344	Didemnin A 	C49H78N6O12	942.567771	NA	MeJP	NA	NA
+PJ092351	SPVLLKMR 	C42H78N12O10S	942.5685	NA	PeJP	NA	NA
+PJ092352	VVLLKWW 	C50H74N10O8	942.5691	NA	PeJP	NA	NA
+PJ092353	GSRRRRR 	C35H70N22O9	942.5697	NA	PeJP	NA	NA
+MJ098345	Okadaic acid; 7-Hydroxy-2,4-dimethyl-2E,4E-heptadienoyl ester 	C53H82O14	942.570457	NA	MeJP	NA	NA
+MJ098346	Okadaic acid; 7-Hydroxy-4-methyl-2-methylene-4-heptenoyl ester (E-) 	C53H82O14	942.570457	NA	MeJP	NA	NA
+PJ092354	TLLERRR 	C39H74N16O11	942.5723	NA	PeJP	NA	NA
+PJ092355	GGLKKERR 	C39H74N16O11	942.5724	NA	PeJP	NA	NA
+PJ092356	ALLLKKEE 	C43H78N10O13	942.575	NA	PeJP	NA	NA
+PJ092357	SLLLRRW 	C44H74N14O9	942.5764	NA	PeJP	NA	NA
+PJ092358	PVLLLLEF 	C48H78N8O11	942.5791	NA	PeJP	NA	NA
+PJ092359	AALLLMRR 	C41H78N14O9S	942.5797	NA	PeJP	NA	NA
+PJ092360	VLLLLLEM 	C45H82N8O11S	942.5824	NA	PeJP	NA	NA
+PJ092361	AKKERRR 	C38H74N18O10	942.5836	NA	PeJP	NA	NA
+PJ092362	STLLLLQR 	C42H78N12O12	942.5862	NA	PeJP	NA	NA
+PJ092363	ATLLLKER 	C42H78N12O12	942.5863	NA	PeJP	NA	NA
+PJ092364	GLKKRRW 	C43H74N16O8	942.5876	NA	PeJP	NA	NA
+PJ092365	GTLLLLKW 	C47H78N10O10	942.5903	NA	PeJP	NA	NA
+PJ092366	VLLMRRR 	C40H78N16O8S	942.591	NA	PeJP	NA	NA
+MJ098347	Antibiotic CP 82996 	C50H86O16	942.591586	NA	MeJP	NA	NA
+PJ092367	PTLLLKKM 	C44H82N10O10S	942.5937	NA	PeJP	NA	NA
+PJ092368	ATKRRRR 	C37H74N20O9	942.5948	NA	PeJP	NA	NA
+PJ092369	ATTLLLRR 	C41H78N14O11	942.5975	NA	PeJP	NA	NA
+PJ092370	LLQKKKW 	C46H78N12O9	942.6015	NA	PeJP	NA	NA
+PJ092371	GLLLLKMR 	C43H82N12O9S	942.6049	NA	PeJP	NA	NA
+PJ092372	VKKKERR 	C40H78N16O10	942.6087	NA	PeJP	NA	NA
+PJ092373	SLLLLKKE 	C44H82N10O12	942.6114	NA	PeJP	NA	NA
+PJ092374	VVKKKRW 	C45H78N14O8	942.6127	NA	PeJP	NA	NA
+PJ092375	PVLLLLLY 	C49H82N8O10	942.6154	NA	PeJP	NA	NA
+PJ092376	SLKKRRR 	C39H78N18O9	942.62	NA	PeJP	NA	NA
+PJ092377	STLLLLKR 	C43H82N12O11	942.6226	NA	PeJP	NA	NA
+PJ092378	GLLKKKKE 	C43H82N12O11	942.6227	NA	PeJP	NA	NA
+PJ092379	PVVLLKKF 	C48H82N10O9	942.6267	NA	PeJP	NA	NA
+PJ092380	VVLLLKKM 	C45H86N10O9S	942.63	NA	PeJP	NA	NA
+PJ092381	GTLLKKKR 	C42H82N14O10	942.6339	NA	PeJP	NA	NA
+PJ092382	LLKKKKW 	C47H82N12O8	942.6379	NA	PeJP	NA	NA
+PJ092383	QKKKKKR 	C41H82N16O9	942.6451	NA	PeJP	NA	NA
+PJ092384	VLLLLLLF 	C50H86N8O9	942.6518	NA	PeJP	NA	NA
+PJ092385	SVLLKKKK 	C44H86N12O10	942.659	NA	PeJP	NA	NA
+PJ092386	GVKKKKKK 	C43H86N14O9	942.6703	NA	PeJP	NA	NA
+PJ092387	KKKKKKR 	C42H86N16O8	942.6815	NA	PeJP	NA	NA
+HMDB05407	TG(18:0/20:1(11Z)/20:1(11Z))[iso3]	C61H114O6	942.86151	http://www.hmdb.ca/metabolites/HMDB05407	HMDB	NA	NA
+HMDB05450	TG(18:1(9Z)/20:0/20:1(11Z))[iso6]	C61H114O6	942.86151	http://www.hmdb.ca/metabolites/HMDB05450	HMDB	NA	NA
+HMDB05467	TG(18:2(9Z,12Z)/20:0/20:0)[iso3]	C61H114O6	942.86151	http://www.hmdb.ca/metabolites/HMDB05467	HMDB	NA	NA
+HMDB05407	TG(18:0/20:1(11Z)/20:1(11Z))[iso3]	C61H114O6	942.86151	HMDB05407	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05450	TG(18:1(9Z)/20:0/20:1(11Z))[iso6]	C61H114O6	942.86151	HMDB05450	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05467	TG(18:2(9Z,12Z)/20:0/20:0)[iso3]	C61H114O6	942.86151	HMDB05467	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05407	TG(18:0/20:1(11Z)/20:1(11Z))[iso3]	C61H114O6	942.861511	NA	HMDB2010	NA	NA
+HMDB05450	TG(18:1(9Z)/20:0/20:1(11Z))[iso6]	C61H114O6	942.861511	NA	HMDB2010	NA	NA
+HMDB05467	TG(18:2(9Z,12Z)/20:0/20:0)[iso3]	C61H114O6	942.861511	NA	HMDB2010	NA	NA
+PJ092388	TCCCCCCCC 	C28H49N9O11S8	943.1318	NA	PeJP	NA	NA
+MJ098348	Feruloyl-CoA 	C31H44N7O19P3S	943.162552	NA	MeJP	NA	NA
+MetaCyc04336	trans-feruloyl-CoA [feruloyl-CoA;]	C31H44N7O19P3S1	943.162552	NA	metacyc	NA	NA
+MetaCyc04337	feruloyl-CoA []	C31H44N7O19P3S1	943.162552	NA	metacyc	NA	NA
+C00406	Feruloyl-CoA	C31H44N7O19P3S	943.1626	NA	KEGG	NA	NA
+PJ092389	GCCCCCCCF 	C32H49N9O10S7	943.1648	NA	PeJP	NA	NA
+PJ092390	GSCCCCCCY 	C32H49N9O12S6	943.1825	NA	PeJP	NA	NA
+PJ092391	GSCCCCCEH 	C31H49N11O13S5	943.2115	NA	PeJP	NA	NA
+PJ092392	GSCCDDDDD 	C31H45N9O21S2	943.2172	NA	PeJP	NA	NA
+PJ092393	GPCCCCDDE 	C32H49N9O16S4	943.2181	NA	PeJP	NA	NA
+PJ092394	SCCCCCHW 	C35H49N11O10S5	943.2268	NA	PeJP	NA	NA
+PJ092395	SSSCCCCDH 	C31H49N11O15S4	943.2293	NA	PeJP	NA	NA
+PJ092396	CCCCNMMH 	C32H53N11O10S6	943.2302	NA	PeJP	NA	NA
+PJ092397	PCCCCDDW 	C36H49N9O13S4	943.2333	NA	PeJP	NA	NA
+HMDB03712	(2E)-Dodecenoyl-CoA	C33H52N7O17P3S	943.23529	http://www.hmdb.ca/metabolites/HMDB03712	HMDB	NA	NA
+HMDB03712	(2E)-Dodecenoyl-CoA	C33H52N7O17P3S	943.23529	HMDB03712	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03712	(2E)-Dodecenoyl-CoA	C33H52N7O17P3S	943.235352	NA	HMDB2010	NA	NA
+PJ092398	CCNDDDEM 	C32H49N9O18S3	943.2358	NA	PeJP	NA	NA
+PJ092399	SPPCCCCCE 	C33H53N9O13S5	943.2367	NA	PeJP	NA	NA
+PJ092400	GCCCCNNNN 	C30H49N13O14S4	943.2405	NA	PeJP	NA	NA
+PJ092401	GGGGGGGGGCCCC 	C30H49N13O14S4	943.2406	NA	PeJP	NA	NA
+PJ092402	CCCCNDHF 	C35H49N11O12S4	943.2445	NA	PeJP	NA	NA
+PJ092403	GGCCCCDHF 	C35H49N11O12S4	943.2446	NA	PeJP	NA	NA
+PJ092404	GSCCCNNDE 	C31H49N11O17S3	943.247	NA	PeJP	NA	NA
+PJ092405	CCCDDDDR 	C31H49N11O17S3	943.2471	NA	PeJP	NA	NA
+PJ092406	GSTCCCCMH 	C32H53N11O12S5	943.2479	NA	PeJP	NA	NA
+PJ092407	GCCDDDMW 	C36H49N9O15S3	943.2511	NA	PeJP	NA	NA
+PJ092408	GSSCDDDDM 	C32H49N9O20S2	943.2536	NA	PeJP	NA	NA
+PJ092409	GSPCCCDEM 	C33H53N9O15S4	943.2544	NA	PeJP	NA	NA
+PJ092410	GPPCCCCMM 	C34H57N9O10S6	943.2553	NA	PeJP	NA	NA
+PJ092411	SCCCNNDW 	C35H49N11O14S3	943.2623	NA	PeJP	NA	NA
+PJ092412	SSSCCNNDD 	C31H49N11O19S2	943.2648	NA	PeJP	NA	NA
+PJ092413	SSSSCCCMH 	C32H53N11O14S4	943.2657	NA	PeJP	NA	NA
+PJ092414	CCCDEWW 	C40H49N9O12S3	943.2663	NA	PeJP	NA	NA
+PJ092415	SSCCDDEW 	C36H49N9O17S2	943.2688	NA	PeJP	NA	NA
+PJ092416	SPCCCDMW 	C37H53N9O12S4	943.2697	NA	PeJP	NA	NA
+PJ092417	SSSSCDDDE 	C32H49N9O22S	943.2713	NA	PeJP	NA	NA
+PJ092418	SCNDDEMM 	C33H53N9O17S3	943.2722	NA	PeJP	NA	NA
+PJ092419	CCDDYYY 	C41H49N7O15S2	943.2728	NA	PeJP	NA	NA
+PJ092420	PCCNDMMM 	C34H57N9O12S5	943.2731	NA	PeJP	NA	NA
+PJ092421	CCCCNNER 	C31H53N13O13S4	943.2769	NA	PeJP	NA	NA
+PJ092422	CCMMMYY 	C39H57N7O10S5	943.2771	NA	PeJP	NA	NA
+PJ092423	CCNNNDDF 	C35H49N11O16S2	943.2801	NA	PeJP	NA	NA
+PJ092424	GCCCNQMW 	C36H53N11O11S4	943.2809	NA	PeJP	NA	NA
+PJ092425	SCCDDDMR 	C32H53N11O16S3	943.2834	NA	PeJP	NA	NA
+PJ092426	PCCCCEMR 	C33H57N11O11S5	943.2843	NA	PeJP	NA	NA
+PJ092427	CCCNNNHH 	C33H49N15O12S3	943.2848	NA	PeJP	NA	NA
+PJ092428	GNDDDDMY 	C36H49N9O19S	943.2866	NA	PeJP	NA	NA
+PJ092429	GSCDDMMW 	C37H53N9O14S3	943.2875	NA	PeJP	NA	NA
+PJ092430	APCCCMMW 	C38H57N9O9S5	943.2883	NA	PeJP	NA	NA
+PJ092431	ASSSCDDEM 	C33H53N9O19S2	943.2899	NA	PeJP	NA	NA
+PJ092432	GSSSDDDMM 	C33H53N9O19S2	943.29	NA	PeJP	NA	NA
+PJ092433	GNDDMMMM 	C34H57N9O14S4	943.2908	NA	PeJP	NA	NA
+PJ092434	SCCNDEHH 	C34H49N13O15S2	943.2913	NA	PeJP	NA	NA
+PJ092435	CCDMFYY 	C42H53N7O12S3	943.2915	NA	PeJP	NA	NA
+PJ092436	GCCCCNRW 	C35H53N13O10S4	943.2922	NA	PeJP	NA	NA
+PJ092437	GSSCCCNDR 	C31H53N13O15S3	943.2947	NA	PeJP	NA	NA
+PJ092438	SCNNNDDY 	C35H49N11O18S	943.2978	NA	PeJP	NA	NA
+PJ092439	SSCCNNMW 	C36H53N11O13S3	943.2987	NA	PeJP	NA	NA
+PJ092440	SSSSCNNDM 	C32H53N11O18S2	943.3012	NA	PeJP	NA	NA
+PJ092441	CNDDEYW 	C40H49N9O16S	943.3018	NA	PeJP	NA	NA
+PJ092442	SCNNNMMM 	C33H57N11O13S4	943.302	NA	PeJP	NA	NA
+PJ092443	GCCDEMMR 	C33H57N11O13S4	943.3021	NA	PeJP	NA	NA
+PJ092444	SCCEMWW 	C41H53N9O11S3	943.3027	NA	PeJP	NA	NA
+PJ092445	SSNDDDEY 	C36H49N9O21	943.3043	NA	PeJP	NA	NA
+PJ092446	SSSCDEMW 	C37H53N9O16S2	943.3052	NA	PeJP	NA	NA
+PJ092447	CNEMMMW 	C38H57N9O11S4	943.3061	NA	PeJP	NA	NA
+PJ092448	GSCCDHHW 	C38H49N13O12S2	943.3066	NA	PeJP	NA	NA
+PJ092449	SSSSSDDEM 	C33H53N9O21S	943.3077	NA	PeJP	NA	NA
+PJ092450	SSNDEMMM 	C34H57N9O16S3	943.3086	NA	PeJP	NA	NA
+PJ092451	GSSSCDDHH 	C34H49N13O17S	943.3091	NA	PeJP	NA	NA
+PJ092452	SCDMYYY 	C42H53N7O14S2	943.3092	NA	PeJP	NA	NA
+PJ092453	SPCNMMMM 	C35H61N9O11S5	943.3094	NA	PeJP	NA	NA
+PJ092454	GGSPCMMMM 	C35H61N9O11S5	943.3095	NA	PeJP	NA	NA
+PJ092455	GCNDMMHH 	C35H53N13O12S3	943.3099	NA	PeJP	NA	NA
+PJ092456	CCMMFFY 	C43H57N7O9S4	943.3101	NA	PeJP	NA	NA
+PJ092457	DEEEEMY 	C38H53N7O19S	943.3117	NA	PeJP	NA	NA
+PJ092458	GPCDDDHW 	C39H49N11O15S	943.3131	NA	PeJP	NA	NA
+PJ092459	SCCCNQMR 	C32H57N13O12S4	943.3133	NA	PeJP	NA	NA
+PJ092460	GCCCQHFF 	C40H53N11O10S3	943.3139	NA	PeJP	NA	NA
+PJ092461	GGACCCHFF 	C40H53N11O10S3	943.314	NA	PeJP	NA	NA
+PJ092462	GNDDEEEH 	C35H49N11O20	943.3156	NA	PeJP	NA	NA
+PJ092463	GSSSSCCQW 	C36H53N11O15S2	943.3164	NA	PeJP	NA	NA
+PJ092464	GGGGGCNEMY 	C36H53N11O15S2	943.3165	NA	PeJP	NA	NA
+PJ092465	GCDDYWW 	C44H49N9O13S	943.3171	NA	PeJP	NA	NA
+PJ092466	CCDMMRW 	C37H57N11O10S4	943.3173	NA	PeJP	NA	NA
+PJ092467	PCCCFWW 	C45H53N9O8S3	943.318	NA	PeJP	NA	NA
+PJ092468	GSSSSSSCNE 	C32H53N11O20S	943.3189	NA	PeJP	NA	NA
+PJ092469	GSSDDDYW 	C40H49N9O18	943.3196	NA	PeJP	NA	NA
+PJ092470	SSCDDMMR 	C33H57N11O15S3	943.3198	NA	PeJP	NA	NA
+PJ092471	CNNNNNDH 	C33H49N15O16S	943.3203	NA	PeJP	NA	NA
+PJ092472	GSPCCEYW 	C41H53N9O13S2	943.3205	NA	PeJP	NA	NA
+PJ092473	PTCCCMMR 	C34H61N11O10S5	943.3207	NA	PeJP	NA	NA
+PJ092474	GCCCEHHR 	C34H53N15O11S3	943.3212	NA	PeJP	NA	NA
+PJ092475	GCMMMWW 	C42H57N9O8S4	943.3213	NA	PeJP	NA	NA
+PJ092476	GSNDEEMY 	C37H53N9O18S	943.323	NA	PeJP	NA	NA
+PJ092477	GSSDMMMW 	C38H57N9O13S3	943.3238	NA	PeJP	NA	NA
+PJ092478	GCNDDHHF 	C38H49N13O14S	943.3243	NA	PeJP	NA	NA
+PJ092479	CCDFFFY 	C46H53N7O11S2	943.3245	NA	PeJP	NA	NA
+PJ092480	CCQMHHW 	C39H53N13O9S3	943.3252	NA	PeJP	NA	NA
+PJ092481	GSSSSEEMM 	C34H57N9O18S2	943.3263	NA	PeJP	NA	NA
+PJ092482	GDDDDDHR 	C34H49N13O19	943.3268	NA	PeJP	NA	NA
+PJ092483	GSQEMMMM 	C35H61N9O13S4	943.3272	NA	PeJP	NA	NA
+PJ092484	GCCNNDRY 	C35H53N13O14S2	943.3277	NA	PeJP	NA	NA
+PJ092485	ACMMYYY 	C43H57N7O11S3	943.3278	NA	PeJP	NA	NA
+PJ092486	GCCNHHHH 	C36H49N17O10S2	943.329	NA	PeJP	NA	NA
+PJ092487	EEEEMMF 	C39H57N7O16S2	943.3304	NA	PeJP	NA	NA
+PJ092488	NDDEEHW 	C39H49N11O17	943.3308	NA	PeJP	NA	NA
+PJ092489	GSSSCCNMR 	C32H57N13O14S3	943.331	NA	PeJP	NA	NA
+PJ092490	GGGSSSCCMR 	C32H57N13O14S3	943.3311	NA	PeJP	NA	NA
+PJ092491	CNNNMYW 	C40H53N11O12S2	943.3317	NA	PeJP	NA	NA
+PJ092492	SSSSSSCNW 	C36H53N11O17S	943.3342	NA	PeJP	NA	NA
+PJ092493	SSCCCQKW 	C37H57N11O12S3	943.3351	NA	PeJP	NA	NA
+PJ092494	SPCCYWW 	C45H53N9O10S2	943.3357	NA	PeJP	NA	NA
+PJ092495	CCCHHRW 	C38H53N15O8S3	943.3364	NA	PeJP	NA	NA
+PJ092496	SSSSSSSSND 	C32H53N11O22	943.3367	NA	PeJP	NA	NA
+PJ092497	SSTTTCCNQ 	C33H57N11O17S2	943.3375	NA	PeJP	NA	NA
+PJ092498	SSSSSNNMM 	C33H57N11O17S2	943.3376	NA	PeJP	NA	NA
+PJ092499	SNDEMYW 	C41H53N9O15S	943.3382	NA	PeJP	NA	NA
+PJ092500	GSCEMMMR 	C34H61N11O12S4	943.3384	NA	PeJP	NA	NA
+PJ092501	GGGGTCCKMM 	C34H61N11O12S4	943.3385	NA	PeJP	NA	NA
+PJ092502	SSCCDHHR 	C34H53N15O13S2	943.3389	NA	PeJP	NA	NA
+PJ092503	STCMMWW 	C42H57N9O10S3	943.3391	NA	PeJP	NA	NA
+PJ092504	SSSNEEEY 	C37H53N9O20	943.3407	NA	PeJP	NA	NA
+PJ092505	SSSSEMMW 	C38H57N9O15S2	943.3416	NA	PeJP	NA	NA
+PJ092506	GSNNDDHW 	C38H49N13O16	943.3421	NA	PeJP	NA	NA
+PJ092507	GCEFYYY 	C46H53N7O13S	943.3422	NA	PeJP	NA	NA
+PJ092508	SQMMMMW 	C39H61N9O10S4	943.3424	NA	PeJP	NA	NA
+PJ092509	TNMMMMW 	C39H61N9O10S4	943.3425	NA	PeJP	NA	NA
+PJ092510	GSSCMHHW 	C39H53N13O11S2	943.3429	NA	PeJP	NA	NA
+PJ092511	GGGGAPCCHW 	C39H53N13O11S2	943.343	NA	PeJP	NA	NA
+PJ092512	CCMFFFF 	C47H57N7O8S3	943.3431	NA	PeJP	NA	NA
+PJ092513	SSSSSTEEM 	C34H57N9O20S	943.3441	NA	PeJP	NA	NA
+PJ092514	PDEEEYY 	C42H53N7O18	943.3447	NA	PeJP	NA	NA
+PJ092515	DEEEEFF 	C42H53N7O18	943.3448	NA	PeJP	NA	NA
+PJ092516	SSTQEMMM 	C35H61N9O15S3	943.345	NA	PeJP	NA	NA
+PJ092517	SPCDDDHR 	C35H53N13O16S	943.3454	NA	PeJP	NA	NA
+PJ092518	GGGGGNEEMH 	C35H53N13O16S	943.3455	NA	PeJP	NA	NA
+PJ092519	SSMMYYY 	C43H57N7O13S2	943.3456	NA	PeJP	NA	NA
+PJ092520	AAQMMMMM 	C36H65N9O10S5	943.3458	NA	PeJP	NA	NA
+PJ092521	GDDEHWW 	C43H49N11O14	943.3461	NA	PeJP	NA	NA
+PJ092522	GCCNNMFR 	C36H57N13O11S3	943.3463	NA	PeJP	NA	NA
+PJ092523	SSSSSCCQR 	C32H57N13O16S2	943.3488	NA	PeJP	NA	NA
+PJ092524	GSSCNQYW 	C40H53N11O14S	943.3494	NA	PeJP	NA	NA
+PJ092525	SCDDRYW 	C40H53N11O14S	943.3495	NA	PeJP	NA	NA
+PJ092526	SCCCNKMR 	C33H61N13O11S4	943.3497	NA	PeJP	NA	NA
+PJ092527	APPCCMHW 	C41H57N11O9S3	943.3503	NA	PeJP	NA	NA
+PJ092528	GSSSSNNEY 	C36H53N11O19	943.3519	NA	PeJP	NA	NA
+PJ092529	SSSDDDRY 	C36H53N11O19	943.352	NA	PeJP	NA	NA
+PJ092530	GSSSSCCKW 	C37H57N11O14S2	943.3528	NA	PeJP	NA	NA
+PJ092531	GGGGGPPPCDM 	C37H57N11O14S2	943.3529	NA	PeJP	NA	NA
+PJ092532	GSDMYWW 	C45H53N9O12S	943.3535	NA	PeJP	NA	NA
+PJ092533	SCMMMRW 	C38H61N11O9S4	943.3537	NA	PeJP	NA	NA
+PJ092534	DMMHHHH 	C38H53N15O10S2	943.3542	NA	PeJP	NA	NA
+PJ092535	GSSSSSSSQM 	C33H57N11O19S	943.3553	NA	PeJP	NA	NA
+PJ092536	GSSSEEYW 	C41H53N9O17	943.356	NA	PeJP	NA	NA
+PJ092537	SSSDMMMR 	C34H61N11O14S3	943.3562	NA	PeJP	NA	NA
+PJ092538	GCNNDEHR 	C34H53N15O15S	943.3567	NA	PeJP	NA	NA
+PJ092539	GQEMMYW 	C42H57N9O12S2	943.3568	NA	PeJP	NA	NA
+PJ092540	GGAEMMYW 	C42H57N9O12S2	943.3569	NA	PeJP	NA	NA
+PJ092541	NMMMMMR 	C35H65N11O9S5	943.3571	NA	PeJP	NA	NA
+PJ092542	CFYYYW 	C50H53N7O10S	943.3575	NA	PeJP	NA	NA
+PJ092543	GSTQEEMY 	C38H57N9O17S	943.3593	NA	PeJP	NA	NA
+PJ092544	GGGTTEEMY 	C38H57N9O17S	943.3594	NA	PeJP	NA	NA
+PJ092545	GSEYYYY 	C46H53N7O15	943.36	NA	PeJP	NA	NA
+PJ092546	GSTTMMMW 	C39H61N9O12S3	943.3602	NA	PeJP	NA	NA
+PJ092547	SSSTCHHW 	C39H53N13O13S	943.3607	NA	PeJP	NA	NA
+PJ092548	ACMFFYY 	C47H57N7O10S2	943.3609	NA	PeJP	NA	NA
+PJ092549	DDHWWW 	C47H49N11O11	943.3613	NA	PeJP	NA	NA
+PJ092550	CCKMHHW 	C40H57N13O8S3	943.3616	NA	PeJP	NA	NA
+MJ098349	Taxol?; 10-De-Ac, 7-O-?-D-xylopyranoside 	C50H57NO17	943.362649	NA	MeJP	NA	NA
+PJ092551	GSSTTTEMM 	C35H61N9O17S2	943.3627	NA	PeJP	NA	NA
+PJ092552	GSDDEEHR 	C35H53N13O18	943.3632	NA	PeJP	NA	NA
+PJ092553	PEEEMFY 	C43H57N7O15S	943.3634	NA	PeJP	NA	NA
+PJ092554	GSKEMMMM 	C36H65N9O12S4	943.3636	NA	PeJP	NA	NA
+PJ092555	ASCCNQRY 	C36H57N13O13S2	943.364	NA	PeJP	NA	NA
+PJ092556	CCDERRY 	C36H57N13O13S2	943.3641	NA	PeJP	NA	NA
+PJ092557	GNNNDHHH 	C36H49N17O14	943.3645	NA	PeJP	NA	NA
+PJ092558	GGGGGNDHHH 	C36H49N17O14	943.3646	NA	PeJP	NA	NA
+PJ092559	SPCEHWW 	C44H53N11O11S	943.3647	NA	PeJP	NA	NA
+PJ092560	GSSSSSSSCR 	C32H57N13O18S	943.3666	NA	PeJP	NA	NA
+PJ092561	LEEEMMY 	C40H61N7O15S2	943.3667	NA	PeJP	NA	NA
+PJ092562	SSSSNNYW 	C40H53N11O16	943.3672	NA	PeJP	NA	NA
+PJ092563	GSSTCCCKR 	C33H61N13O13S3	943.3674	NA	PeJP	NA	NA
+PJ092564	GCEMRYW 	C41H57N11O11S2	943.3681	NA	PeJP	NA	NA
+PJ092565	DDHHHHF 	C41H49N15O12	943.3686	NA	PeJP	NA	NA
+PJ092566	TCYWWW 	C49H53N9O9S	943.3687	NA	PeJP	NA	NA
+PJ092567	GSSDEMRY 	C37H57N11O16S	943.3706	NA	PeJP	NA	NA
+PJ092568	SSSEYWW 	C45H53N9O14	943.3712	NA	PeJP	NA	NA
+PJ092569	NDMMMFR 	C38H61N11O11S3	943.3714	NA	PeJP	NA	NA
+PJ092570	SSCCCKKW 	C38H61N11O11S3	943.3715	NA	PeJP	NA	NA
+PJ092571	CNNDHRW 	C38H53N15O12S	943.3719	NA	PeJP	NA	NA
+PJ092572	QMMYWW 	C46H57N9O9S2	943.3721	NA	PeJP	NA	NA
+PJ092573	SSSSSSSSTQ 	C33H57N11O21	943.3731	NA	PeJP	NA	NA
+PJ092574	CHHHHHH 	C39H49N19O8S	943.3733	NA	PeJP	NA	NA
+PJ092575	SSSSSCQKM 	C34H61N11O16S2	943.3739	NA	PeJP	NA	NA
+PJ092576	GGSSSSTCKM 	C34H61N11O16S2	943.374	NA	PeJP	NA	NA
+PJ092577	SSNNDDHR 	C34H53N15O17	943.3744	NA	PeJP	NA	NA
+PJ092578	GGGGGGGGGSSTH 	C34H53N15O17	943.3745	NA	PeJP	NA	NA
+PJ092579	STQEMYW 	C42H57N9O14S	943.3746	NA	PeJP	NA	NA
+PJ092580	GSTMMMMR 	C35H65N11O11S4	943.3748	NA	PeJP	NA	NA
+PJ092581	SYYYYW 	C50H53N7O12	943.3752	NA	PeJP	NA	NA
+PJ092582	SSSCMHHR 	C35H57N15O12S2	943.3753	NA	PeJP	NA	NA
+PJ092583	AQMMMFW 	C43H61N9O9S3	943.3755	NA	PeJP	NA	NA
+PJ092584	GNNMHWW 	C43H53N13O10S	943.3759	NA	PeJP	NA	NA
+PJ092585	GGGNMHWW 	C43H53N13O10S	943.376	NA	PeJP	NA	NA
+PJ092586	SSSDKEEY 	C38H57N9O19	943.3771	NA	PeJP	NA	NA
+PJ092587	SSTTTMMW 	C39H61N9O14S2	943.378	NA	PeJP	NA	NA
+PJ092588	GSSNQEHW 	C39H53N13O15	943.3784	NA	PeJP	NA	NA
+PJ092589	SDDEHRW 	C39H53N13O15	943.3785	NA	PeJP	NA	NA
+PJ092590	AAMYYYY 	C47H57N7O12S	943.3786	NA	PeJP	NA	NA
+PJ092591	SKMMMMW 	C40H65N9O9S4	943.3788	NA	PeJP	NA	NA
+PJ092592	GPCKMMMF 	C40H65N9O9S4	943.3789	NA	PeJP	NA	NA
+PJ092593	PCDMHRW 	C40H57N13O10S2	943.3793	NA	PeJP	NA	NA
+PJ092594	SSSTTTTEM 	C35H61N9O19S	943.3805	NA	PeJP	NA	NA
+PJ092595	VEEEEFY 	C43H57N7O17	943.3811	NA	PeJP	NA	NA
+PJ092596	SSTKEMMM 	C36H65N9O14S3	943.3813	NA	PeJP	NA	NA
+PJ092597	SSSCNQRY 	C36H57N13O15S	943.3818	NA	PeJP	NA	NA
+PJ092598	GGGGGGGGGSPPM 	C36H57N13O15S	943.3819	NA	PeJP	NA	NA
+PJ092599	AAKMMMMM 	C37H69N9O9S5	943.3822	NA	PeJP	NA	NA
+PJ092600	GTEEHWW 	C44H53N11O13	943.3825	NA	PeJP	NA	NA
+PJ092601	CCEMFRR 	C37H61N13O10S3	943.3827	NA	PeJP	NA	NA
+PJ092602	CMRYWW 	C45H57N11O8S2	943.3833	NA	PeJP	NA	NA
+PJ092603	SSSSSCCKR 	C33H61N13O15S2	943.3852	NA	PeJP	NA	NA
+PJ092604	SSDMRYW 	C41H57N11O13S	943.3858	NA	PeJP	NA	NA
+PJ092605	GGVEEMHW 	C41H57N11O13S	943.3859	NA	PeJP	NA	NA
+PJ092606	TCCCCKKR 	C34H65N13O10S4	943.3861	NA	PeJP	NA	NA
+PJ092607	NEFYWW 	C49H53N9O11	943.3865	NA	PeJP	NA	NA
+PJ092608	ACMMFRW 	C42H61N11O8S3	943.3867	NA	PeJP	NA	NA
+PJ092609	PCQHHHW 	C42H53N15O9S	943.3872	NA	PeJP	NA	NA
+PJ092610	SSSSEERY 	C37H57N11O18	943.3883	NA	PeJP	NA	NA
+PJ092611	SPPDDEER 	C37H57N11O18	943.3884	NA	PeJP	NA	NA
+PJ092612	SQEMMRY 	C38H61N11O13S2	943.3892	NA	PeJP	NA	NA
+PJ092613	GNNNNQHF 	C38H53N15O14	943.3897	NA	PeJP	NA	NA
+PJ092614	GTTMYWW 	C46H57N9O11S	943.3899	NA	PeJP	NA	NA
+PJ092615	CNMHHFR 	C39H57N15O9S2	943.3906	NA	PeJP	NA	NA
+PJ092616	GSSSSSSSKM 	C34H61N11O18S	943.3917	NA	PeJP	NA	NA
+PJ092617	VNQEEYY 	C42H57N9O16	943.3923	NA	PeJP	NA	NA
+PJ092618	GSTTTEYW 	C42H57N9O16	943.3924	NA	PeJP	NA	NA
+PJ092619	SSTTMMMR 	C35H65N11O13S3	943.3926	NA	PeJP	NA	NA
+PJ092620	ASCNQEHR 	C35H57N15O14S	943.393	NA	PeJP	NA	NA
+PJ092621	DDDMHRR 	C35H57N15O14S	943.3931	NA	PeJP	NA	NA
+PJ092622	GKEMMYW 	C43H61N9O11S2	943.3932	NA	PeJP	NA	NA
+PJ092623	SSNQHWW 	C43H53N13O12	943.3937	NA	PeJP	NA	NA
+PJ092624	ACFFFFY 	C51H57N7O9S	943.3939	NA	PeJP	NA	NA
+PJ092625	GSTKEEMY 	C39H61N9O16S	943.3957	NA	PeJP	NA	NA
+PJ092626	GGPPVEEEM 	C39H61N9O16S	943.3958	NA	PeJP	NA	NA
+PJ092627	ATTYYYY 	C47H57N7O14	943.3964	NA	PeJP	NA	NA
+PJ092628	GSPKMMMY 	C40H65N9O11S3	943.3966	NA	PeJP	NA	NA
+PJ092629	GEEMHRW 	C40H57N13O12S	943.3971	NA	PeJP	NA	NA
+PJ092630	TEHWWW 	C48H53N11O10	943.3977	NA	PeJP	NA	NA
+PJ092631	SSSSTTLMM 	C36H65N9O16S2	943.3991	NA	PeJP	NA	NA
+PJ092632	GSSSSSNRY 	C36H57N13O17	943.3996	NA	PeJP	NA	NA
+PJ092633	PLEEMYY 	C44H61N7O14S	943.3998	NA	PeJP	NA	NA
+PJ092634	ATTKMMMM 	C37H69N9O11S4	943.4	NA	PeJP	NA	NA
+PJ092635	SCEMRRY 	C37H61N13O12S2	943.4004	NA	PeJP	NA	NA
+PJ092636	GGSSCCKFR 	C37H61N13O12S2	943.4005	NA	PeJP	NA	NA
+PJ092637	NDEHHHR 	C37H53N17O13	943.4009	NA	PeJP	NA	NA
+PJ092638	GVEMHWW 	C45H57N11O10S	943.4011	NA	PeJP	NA	NA
+PJ092639	GFYWWW 	C53H53N9O8	943.4017	NA	PeJP	NA	NA
+PJ092640	SKEEEHW 	C41H57N11O15	943.4036	NA	PeJP	NA	NA
+PJ092641	GSCNDHRR 	C34H57N17O13S	943.4043	NA	PeJP	NA	NA
+PJ092642	GTMMRYW 	C42H61N11O10S2	943.4045	NA	PeJP	NA	NA
+PJ092643	AQEHHHW 	C42H53N15O11	943.4049	NA	PeJP	NA	NA
+PJ092644	GAAEHHHW 	C42H53N15O11	943.405	NA	PeJP	NA	NA
+PJ092645	QMFFWW 	C50H57N9O8S	943.4051	NA	PeJP	NA	NA
+PJ092646	GSTTEMRY 	C38H61N11O15S	943.407	NA	PeJP	NA	NA
+PJ092647	STTTYWW 	C46H57N9O13	943.4076	NA	PeJP	NA	NA
+PJ092648	VNMMMRY 	C39H65N11O10S3	943.4078	NA	PeJP	NA	NA
+PJ092649	GGACCKKMF 	C39H65N11O10S3	943.4079	NA	PeJP	NA	NA
+PJ092650	SNNMHRW 	C39H57N15O11S	943.4083	NA	PeJP	NA	NA
+PJ092651	KMMYWW 	C47H61N9O8S2	943.4085	NA	PeJP	NA	NA
+PJ092652	GNHHFFW 	C47H53N13O9	943.409	NA	PeJP	NA	NA
+PJ092653	SSSSSSSSTK 	C34H61N11O20	943.4095	NA	PeJP	NA	NA
+PJ092654	SSSSSCKKM 	C35H65N11O15S2	943.4103	NA	PeJP	NA	NA
+PJ092655	GPNDDDRR 	C35H57N15O16	943.4108	NA	PeJP	NA	NA
+PJ092656	GGGGGGGGGGGGLQ 	C35H57N15O16	943.4109	NA	PeJP	NA	NA
+PJ092657	STKEMYW 	C43H61N9O13S	943.411	NA	PeJP	NA	NA
+PJ092658	TCCCKKKM 	C36H69N11O10S4	943.4112	NA	PeJP	NA	NA
+PJ092659	AAFFYYY 	C51H57N7O11	943.4116	NA	PeJP	NA	NA
+PJ092660	NQQMMHR 	C36H61N15O11S2	943.4117	NA	PeJP	NA	NA
+PJ092661	AKMMMFW 	C44H65N9O8S3	943.4119	NA	PeJP	NA	NA
+PJ092662	EMHRWW 	C44H57N13O9S	943.4123	NA	PeJP	NA	NA
+PJ092663	SSTTKEEY 	C39H61N9O18	943.4135	NA	PeJP	NA	NA
+PJ092664	SSPTKMMY 	C40H65N9O13S2	943.4143	NA	PeJP	NA	NA
+PJ092665	DKKEMMY 	C40H65N9O13S2	943.4144	NA	PeJP	NA	NA
+PJ092666	STEEHRW 	C40H57N13O14	943.4148	NA	PeJP	NA	NA
+PJ092667	GGGGPEERW 	C40H57N13O14	943.4149	NA	PeJP	NA	NA
+PJ092668	SPMMHRW 	C41H61N13O9S2	943.4157	NA	PeJP	NA	NA
+PJ092669	GDHHHRW 	C41H53N17O10	943.4162	NA	PeJP	NA	NA
+PJ092670	VMHWWW 	C49H57N11O7S	943.4164	NA	PeJP	NA	NA
+PJ092671	STTTTTTTM 	C36H65N9O18S	943.4168	NA	PeJP	NA	NA
+PJ092672	VLEEEYY 	C44H61N7O16	943.4175	NA	PeJP	NA	NA
+PJ092673	TTTTKMMM 	C37H69N9O13S3	943.4177	NA	PeJP	NA	NA
+PJ092674	SSSCNKRY 	C37H61N13O14S	943.4182	NA	PeJP	NA	NA
+PJ092675	SSLEHWW 	C45H57N11O12	943.4188	NA	PeJP	NA	NA
+PJ092676	VTTDHWW 	C45H57N11O12	943.4189	NA	PeJP	NA	NA
+PJ092677	GMMMRRY 	C38H65N13O9S3	943.4191	NA	PeJP	NA	NA
+PJ092678	GPTCHHHR 	C38H57N17O10S	943.4196	NA	PeJP	NA	NA
+PJ092679	AAHHHWW 	C46H53N15O8	943.4202	NA	PeJP	NA	NA
+PJ092680	GNNNNQQR 	C34H57N17O15	943.422	NA	PeJP	NA	NA
+PJ092681	GGGGGNNQQR 	C34H57N17O15	943.4221	NA	PeJP	NA	NA
+PJ092682	STTMRYW 	C42H61N11O12S	943.4222	NA	PeJP	NA	NA
+PJ092683	GGGGGAPPPMF 	C42H61N11O12S	943.4223	NA	PeJP	NA	NA
+PJ092684	VQYYWW 	C50H57N9O10	943.4229	NA	PeJP	NA	NA
+PJ092685	PCKHHHW 	C43H57N15O8S	943.4236	NA	PeJP	NA	NA
+PJ092686	SSTTTERY 	C38H61N11O17	943.4247	NA	PeJP	NA	NA
+PJ092687	GGGAAPKEEE 	C38H61N11O17	943.4248	NA	PeJP	NA	NA
+PJ092688	SKEMMRY 	C39H65N11O12S2	943.4256	NA	PeJP	NA	NA
+PJ092689	GSSSQHRW 	C39H57N15O13	943.4261	NA	PeJP	NA	NA
+PJ092690	GPKMYYW 	C47H61N9O10S	943.4262	NA	PeJP	NA	NA
+PJ092691	PPVEMWW 	C47H61N9O10S	943.4263	NA	PeJP	NA	NA
+PJ092692	SSSTTLYW 	C43H61N9O15	943.4287	NA	PeJP	NA	NA
+PJ092693	AAPLEEEW 	C43H61N9O15	943.4288	NA	PeJP	NA	NA
+PJ092694	SEEMHRR 	C36H61N15O13S	943.4294	NA	PeJP	NA	NA
+PJ092695	GGSPPCDRR 	C36H61N15O13S	943.4295	NA	PeJP	NA	NA
+PJ092696	SVKMMYW 	C44H65N9O10S2	943.4296	NA	PeJP	NA	NA
+PJ092697	GPNERWW 	C44H57N13O11	943.4301	NA	PeJP	NA	NA
+PJ092698	SSSLKEMY 	C40H65N9O15S	943.4321	NA	PeJP	NA	NA
+PJ092699	PPLEYYY 	C48H61N7O13	943.4328	NA	PeJP	NA	NA
+PJ092700	LQKMMMY 	C41H69N9O10S3	943.433	NA	PeJP	NA	NA
+PJ092701	SQQKMHW 	C41H61N13O11S	943.4334	NA	PeJP	NA	NA
+PJ092702	SVEMHRW 	C41H61N13O11S	943.4335	NA	PeJP	NA	NA
+PJ092703	AAPQWWW 	C49H57N11O9	943.4341	NA	PeJP	NA	NA
+PJ092704	CCNHRRR 	C34H61N19O9S2	943.4342	NA	PeJP	NA	NA
+PJ092705	SSSSPTNKH 	C37H61N13O16	943.4359	NA	PeJP	NA	NA
+PJ092706	PEEEERR 	C37H61N13O16	943.436	NA	PeJP	NA	NA
+PJ092707	LLEEMFY 	C45H65N7O13S	943.4361	NA	PeJP	NA	NA
+PJ092708	STMMRRY 	C38H65N13O11S2	943.4368	NA	PeJP	NA	NA
+PJ092709	GGGAAPPMMR 	C38H65N13O11S2	943.4369	NA	PeJP	NA	NA
+PJ092710	TQEHHHR 	C38H57N17O12	943.4373	NA	PeJP	NA	NA
+PJ092711	ATLMHWW 	C46H61N11O9S	943.4375	NA	PeJP	NA	NA
+PJ092712	PVEEERW 	C42H61N11O14	943.44	NA	PeJP	NA	NA
+PJ092713	GSSNMHRR 	C35H61N17O12S	943.4407	NA	PeJP	NA	NA
+PJ092714	VLQMMHW 	C43H65N11O9S2	943.4409	NA	PeJP	NA	NA
+PJ092715	GNQHFRW 	C43H57N15O10	943.4413	NA	PeJP	NA	NA
+PJ092716	KMFFWW 	C51H61N9O7S	943.4415	NA	PeJP	NA	NA
+PJ092717	SSSTLMRY 	C39H65N11O14S	943.4433	NA	PeJP	NA	NA
+PJ092718	GGSSSKKMY 	C39H65N11O14S	943.4434	NA	PeJP	NA	NA
+PJ092719	PVVEEWW 	C47H61N9O12	943.444	NA	PeJP	NA	NA
+PJ092720	CLKMMRY 	C40H69N11O9S3	943.4442	NA	PeJP	NA	NA
+PJ092721	SCQKHRW 	C40H61N15O10S	943.4447	NA	PeJP	NA	NA
+PJ092722	PNRWWW 	C48H57N13O8	943.4453	NA	PeJP	NA	NA
+PJ092723	GGPRWWW 	C48H57N13O8	943.4454	NA	PeJP	NA	NA
+PJ092724	GSPNEERR 	C36H61N15O15	943.4472	NA	PeJP	NA	NA
+PJ092725	APPTLEMW 	C44H65N9O12S	943.4474	NA	PeJP	NA	NA
+PJ092726	VDMMHRR 	C37H65N15O10S2	943.4481	NA	PeJP	NA	NA
+PJ092727	SDHHHRR 	C37H57N19O11	943.4485	NA	PeJP	NA	NA
+PJ092728	GCKKHWW 	C45H61N13O8S	943.4487	NA	PeJP	NA	NA
+PJ092729	TTTTTKEY 	C40H65N9O17	943.4499	NA	PeJP	NA	NA
+PJ092730	GTTLKMMY 	C41H69N9O12S2	943.4507	NA	PeJP	NA	NA
+PJ092731	PPVLQEMM 	C41H69N9O12S2	943.4508	NA	PeJP	NA	NA
+PJ092732	PNDKERW 	C41H61N13O13	943.4512	NA	PeJP	NA	NA
+PJ092733	GGGGGGGGGLLW 	C41H61N13O13	943.4513	NA	PeJP	NA	NA
+PJ092734	ALMMHRW 	C42H65N13O8S2	943.4521	NA	PeJP	NA	NA
+PJ092735	ATHHHRW 	C42H57N17O9	943.4526	NA	PeJP	NA	NA
+PJ092736	GTTLEMHR 	C38H65N13O13S	943.4546	NA	PeJP	NA	NA
+PJ092737	TTTLHWW 	C46H61N11O11	943.4552	NA	PeJP	NA	NA
+PJ092738	GAAPKEWW 	C46H61N11O11	943.4553	NA	PeJP	NA	NA
+PJ092739	VQMHHHR 	C39H61N17O9S	943.4559	NA	PeJP	NA	NA
+PJ092740	SSSSQHRR 	C35H61N17O14	943.4584	NA	PeJP	NA	NA
+PJ092741	GGGGGAQERR 	C35H61N17O14	943.4585	NA	PeJP	NA	NA
+PJ092742	TLKEMHW 	C43H65N11O11S	943.4586	NA	PeJP	NA	NA
+PJ092743	VKYYWW 	C51H61N9O9	943.4593	NA	PeJP	NA	NA
+PJ092744	TTTTTTRY 	C39H65N11O16	943.4611	NA	PeJP	NA	NA
+PJ092745	GSCKKKMY 	C40H69N11O11S2	943.462	NA	PeJP	NA	NA
+PJ092746	AQQQQRW 	C40H61N15O12	943.4624	NA	PeJP	NA	NA
+PJ092747	SPNERRW 	C40H61N15O12	943.4625	NA	PeJP	NA	NA
+PJ092748	GLKMFYW 	C48H65N9O9S	943.4626	NA	PeJP	NA	NA
+MJ098350	Liposidomycin; Liposidomycin H-I, Desulfo 	C43H69N5O18	943.46376	NA	MeJP	NA	NA
+PJ092749	GPTLLEEW 	C44H65N9O14	943.4651	NA	PeJP	NA	NA
+PJ092750	GGPPVLEEF 	C44H65N9O14	943.4652	NA	PeJP	NA	NA
+PJ092751	PQQEMRR 	C37H65N15O12S	943.4658	NA	PeJP	NA	NA
+PJ092752	GGGGGGAPKMR 	C37H65N15O12S	943.4659	NA	PeJP	NA	NA
+PJ092753	GPPLLMMW 	C45H69N9O9S2	943.466	NA	PeJP	NA	NA
+PJ092754	GPDKRWW 	C45H61N13O10	943.4665	NA	PeJP	NA	NA
+PJ092755	AMHHHRR 	C38H61N19O8S	943.4672	NA	PeJP	NA	NA
+PJ092756	STTTLKMY 	C41H69N9O14S	943.4685	NA	PeJP	NA	NA
+PJ092757	PLLEFYY 	C49H65N7O12	943.4692	NA	PeJP	NA	NA
+PJ092758	LKKMMMY 	C42H73N9O9S3	943.4694	NA	PeJP	NA	NA
+PJ092759	NNNDRRR 	C34H61N19O13	943.4697	NA	PeJP	NA	NA
+PJ092760	TTLMHRW 	C42H65N13O10S	943.4698	NA	PeJP	NA	NA
+PJ092761	GGPLQMRW 	C42H65N13O10S	943.4699	NA	PeJP	NA	NA
+PJ092762	AAPKWWW 	C50H61N11O8	943.4705	NA	PeJP	NA	NA
+PJ092763	STTTLEHR 	C38H65N13O15	943.4723	NA	PeJP	NA	NA
+PJ092764	ASPQKEER 	C38H65N13O15	943.4724	NA	PeJP	NA	NA
+PJ092765	LLLEMYY 	C46H69N7O12S	943.4725	NA	PeJP	NA	NA
+PJ092766	LKEMMHR 	C39H69N13O10S2	943.4732	NA	PeJP	NA	NA
+PJ092767	GNQQRRW 	C39H61N17O11	943.4737	NA	PeJP	NA	NA
+PJ092768	PPCKKWW 	C47H65N11O8S	943.4739	NA	PeJP	NA	NA
+PJ092769	SSTTLLHW 	C43H65N11O13	943.4764	NA	PeJP	NA	NA
+PJ092770	PNDMRRR 	C36H65N17O11S	943.4771	NA	PeJP	NA	NA
+PJ092771	VLKMMHW 	C44H69N11O8S2	943.4772	NA	PeJP	NA	NA
+PJ092772	GSPRRWW 	C44H61N15O9	943.4777	NA	PeJP	NA	NA
+PJ092773	SSTCKKKY 	C40H69N11O13S	943.4797	NA	PeJP	NA	NA
+PJ092774	GPLLEEMR 	C40H69N11O13S	943.4798	NA	PeJP	NA	NA
+PJ092775	PTLLEWW 	C48H65N9O11	943.4804	NA	PeJP	NA	NA
+PJ092776	APQMRRW 	C41H65N15O9S	943.4811	NA	PeJP	NA	NA
+PJ092777	LHFRWW 	C49H61N13O7	943.4817	NA	PeJP	NA	NA
+PJ092778	VQQEERR 	C37H65N15O14	943.4836	NA	PeJP	NA	NA
+PJ092779	VLQKMYY 	C45H69N9O11S	943.4837	NA	PeJP	NA	NA
+PJ092780	GPVLLEMW 	C45H69N9O11S	943.4838	NA	PeJP	NA	NA
+PJ092781	TLMMHRR 	C38H69N15O9S2	943.4845	NA	PeJP	NA	NA
+PJ092782	TTHHHRR 	C38H61N19O10	943.4849	NA	PeJP	NA	NA
+PJ092783	SPLLKEEE 	C41H69N9O16	943.4863	NA	PeJP	NA	NA
+PJ092784	PPVLKEMM 	C42H73N9O11S2	943.4871	NA	PeJP	NA	NA
+PJ092785	PTQKERW 	C42H65N13O12	943.4876	NA	PeJP	NA	NA
+PJ092786	SSTLLMHR 	C39H69N13O12S	943.491	NA	PeJP	NA	NA
+PJ092787	APKKEWW 	C47H65N11O10	943.4916	NA	PeJP	NA	NA
+PJ092788	APCRRRW 	C40H65N17O8S	943.4923	NA	PeJP	NA	NA
+PJ092789	AQEERRR 	C36H65N17O13	943.4948	NA	PeJP	NA	NA
+PJ092790	GGGGGGGGGKKR 	C36H65N17O13	943.4949	NA	PeJP	NA	NA
+PJ092791	PLLEMRW 	C44H69N11O10S	943.495	NA	PeJP	NA	NA
+PJ092792	PPVLFWW 	C52H65N9O8	943.4957	NA	PeJP	NA	NA
+PJ092793	GVLLEEER 	C40H69N11O15	943.4975	NA	PeJP	NA	NA
+PJ092794	SPPLLMMR 	C41H73N11O10S2	943.4984	NA	PeJP	NA	NA
+PJ092795	GLQERRW 	C41H65N15O11	943.4988	NA	PeJP	NA	NA
+PJ092796	GGALERRW 	C41H65N15O11	943.4989	NA	PeJP	NA	NA
+PJ092797	PVLLMWW 	C49H69N9O8S	943.499	NA	PeJP	NA	NA
+PJ092798	AALLLEEW 	C45H69N9O13	943.5015	NA	PeJP	NA	NA
+PJ092799	PQKEMRR 	C38H69N15O11S	943.5022	NA	PeJP	NA	NA
+PJ092800	LKKMMFF 	C46H73N9O8S2	943.5024	NA	PeJP	NA	NA
+PJ092801	APTKRWW 	C46H65N13O9	943.5029	NA	PeJP	NA	NA
+PJ092802	PVVLKEEM 	C42H73N9O13S	943.5049	NA	PeJP	NA	NA
+PJ092803	PLLLYYY 	C50H69N7O11	943.5055	NA	PeJP	NA	NA
+PJ092804	SNQQRRR 	C35H65N19O12	943.506	NA	PeJP	NA	NA
+PJ092805	GDERRRR 	C35H65N19O12	943.5061	NA	PeJP	NA	NA
+PJ092806	PVQKMRW 	C43H69N13O9S	943.5062	NA	PeJP	NA	NA
+PJ092807	LLEEERR 	C39H69N13O14	943.5087	NA	PeJP	NA	NA
+PJ092808	GGGVLKEER 	C39H69N13O14	943.5088	NA	PeJP	NA	NA
+PJ092809	GPPKKMMR 	C40H73N13O9S2	943.5096	NA	PeJP	NA	NA
+PJ092810	AAERRRW 	C40H65N17O10	943.5101	NA	PeJP	NA	NA
+PJ092811	LLQQKEW 	C44H69N11O12	943.5127	NA	PeJP	NA	NA
+PJ092812	VLLEERW 	C44H69N11O12	943.5128	NA	PeJP	NA	NA
+PJ092813	PTQMRRR 	C37H69N17O10S	943.5134	NA	PeJP	NA	NA
+PJ092814	GAPTMRRR 	C37H69N17O10S	943.5135	NA	PeJP	NA	NA
+MJ098351	Nursimycin 	C47H77NO18	943.514064	NA	MeJP	NA	NA
+PJ092815	LQRRWW 	C45H65N15O8	943.5141	NA	PeJP	NA	NA
+PJ092816	SPVLLEMR 	C41H73N11O12S	943.5161	NA	PeJP	NA	NA
+PJ092817	GGGGGGLLLLM 	C41H73N11O12S	943.5162	NA	PeJP	NA	NA
+PJ092818	VVLLEWW 	C49H69N9O10	943.5168	NA	PeJP	NA	NA
+PJ092819	APKMRRW 	C42H69N15O8S	943.5175	NA	PeJP	NA	NA
+PJ092820	VQKEERR 	C38H69N15O13	943.52	NA	PeJP	NA	NA
+PJ092821	VLKKMYY 	C46H73N9O10S	943.5201	NA	PeJP	NA	NA
+PJ092822	APTLLLMW 	C46H73N9O10S	943.5202	NA	PeJP	NA	NA
+PJ092823	DRRRRW 	C39H65N19O9	943.5213	NA	PeJP	NA	NA
+PJ092824	TLLLLDQE 	C42H73N9O15	943.5226	NA	PeJP	NA	NA
+PJ092825	ALLLKEEE 	C42H73N9O15	943.5227	NA	PeJP	NA	NA
+PJ092826	PVLLLQMM 	C43H77N9O10S2	943.5235	NA	PeJP	NA	NA
+PJ092827	PTKKERW 	C43H69N13O11	943.524	NA	PeJP	NA	NA
+PJ092828	PTCRRRR 	C36H69N19O9S	943.5247	NA	PeJP	NA	NA
+PJ092829	GPVKKEMR 	C40H73N13O11S	943.5274	NA	PeJP	NA	NA
+PJ092830	SPLKKWW 	C48H69N11O9	943.528	NA	PeJP	NA	NA
+PJ092831	AKEERRR 	C37H69N17O12	943.5312	NA	PeJP	NA	NA
+PJ092832	AAPLKKMW 	C45H73N11O9S	943.5314	NA	PeJP	NA	NA
+MJ098352	Dynastin 6 	C41H73N11O14	943.533846	NA	MeJP	NA	NA
+PJ092833	ATLLLEER 	C41H73N11O14	943.5339	NA	PeJP	NA	NA
+PJ092834	APLLLMMR 	C42H77N11O9S2	943.5348	NA	PeJP	NA	NA
+PJ092835	GLKERRW 	C42H69N15O10	943.5352	NA	PeJP	NA	NA
+PJ092836	GTLLLLEW 	C46H73N9O12	943.5379	NA	PeJP	NA	NA
+PJ092837	PKKEMRR 	C39H73N15O10S	943.5386	NA	PeJP	NA	NA
+PJ092838	GVLKRWW 	C47H69N13O8	943.5393	NA	PeJP	NA	NA
+PJ092839	PTLLLKEM 	C43H77N9O12S	943.5413	NA	PeJP	NA	NA
+PJ092840	LLLLFYY 	C51H73N7O10	943.5419	NA	PeJP	NA	NA
+PJ092841	ATERRRR 	C36H69N19O11	943.5424	NA	PeJP	NA	NA
+PJ092842	GGGGTKRRR 	C36H69N19O11	943.5425	NA	PeJP	NA	NA
+PJ092843	PVKKMRW 	C44H73N13O8S	943.5426	NA	PeJP	NA	NA
+PJ092844	AALKKEER 	C40H73N13O13	943.5451	NA	PeJP	NA	NA
+PJ092845	GTLRRRW 	C41H69N17O9	943.5465	NA	PeJP	NA	NA
+PJ092846	LLQKKEW 	C45H73N11O11	943.5491	NA	PeJP	NA	NA
+PJ092847	GALLKKEW 	C45H73N11O11	943.5492	NA	PeJP	NA	NA
+PJ092848	PTKMRRR 	C38H73N17O9S	943.5498	NA	PeJP	NA	NA
+PJ092849	LKRRWW 	C46H69N15O7	943.5505	NA	PeJP	NA	NA
+PJ092850	GLLLLEMR 	C42H77N11O11S	943.5525	NA	PeJP	NA	NA
+PJ092851	TLLLLWW 	C50H73N9O9	943.5532	NA	PeJP	NA	NA
+PJ092852	SSPTLKRR 	C39H73N15O12	943.5563	NA	PeJP	NA	NA
+PJ092853	VKKEERR 	C39H73N15O12	943.5564	NA	PeJP	NA	NA
+PJ092854	GVLLLLMW 	C47H77N9O9S	943.5565	NA	PeJP	NA	NA
+PJ092855	GPFRRRR 	C40H69N19O8	943.5577	NA	PeJP	NA	NA
+PJ092856	SLLLLKEE 	C43H77N9O14	943.559	NA	PeJP	NA	NA
+PJ092857	PVLLLKMM 	C44H81N9O9S2	943.5599	NA	PeJP	NA	NA
+PJ092858	VVKKERW 	C44H73N13O10	943.5604	NA	PeJP	NA	NA
+PJ092859	GLMRRRR 	C37H73N19O8S	943.5611	NA	PeJP	NA	NA
+PJ092860	APTLKKMR 	C41H77N13O10S	943.5638	NA	PeJP	NA	NA
+PJ092861	ALLKKWW 	C49H73N11O8	943.5644	NA	PeJP	NA	NA
+PJ092862	SLKERRR 	C38H73N17O11	943.5676	NA	PeJP	NA	NA
+PJ092863	LLLLMRW 	C46H77N11O8S	943.5678	NA	PeJP	NA	NA
+PJ092864	STLLLLER 	C42H77N11O13	943.5703	NA	PeJP	NA	NA
+PJ092865	SVLKRRW 	C43H73N15O9	943.5716	NA	PeJP	NA	NA
+PJ092866	SSLLLLLW 	C47H77N9O11	943.5743	NA	PeJP	NA	NA
+PJ092867	LLQKMRR 	C40H77N15O9S	943.575	NA	PeJP	NA	NA
+PJ092868	VVLLLKEM 	C44H81N9O11S	943.5777	NA	PeJP	NA	NA
+PJ092869	STLRRRR 	C37H73N19O10	943.5788	NA	PeJP	NA	NA
+PJ092870	GTLLKKER 	C41H77N13O12	943.5815	NA	PeJP	NA	NA
+PJ092871	LLLHHRR 	C42H73N17O8	943.5829	NA	PeJP	NA	NA
+PJ092872	LLKKKEW 	C46H77N11O10	943.5855	NA	PeJP	NA	NA
+PJ092873	VVKMRRR 	C39H77N17O8S	943.5862	NA	PeJP	NA	NA
+PJ092874	SVLLLLMR 	C43H81N11O10S	943.5889	NA	PeJP	NA	NA
+PJ092875	GTTLLKRR 	C40H77N15O11	943.5927	NA	PeJP	NA	NA
+PJ092876	GAKKKKER 	C40H77N15O11	943.5928	NA	PeJP	NA	NA
+PJ092877	GTTTLLLLL 	C44H81N9O13	943.5954	NA	PeJP	NA	NA
+PJ092878	TLLKKRW 	C45H77N13O9	943.5968	NA	PeJP	NA	NA
+PJ092879	GVLLKKMR 	C42H81N13O9S	943.6001	NA	PeJP	NA	NA
+MJ098353	Sphinxolide A; 8-Demethoxy, 10-deoxy 	C53H85NO13	943.602091	NA	MeJP	NA	NA
+PJ092880	TQKKKRR 	C39H77N17O10	943.604	NA	PeJP	NA	NA
+PJ092881	SVLLKKKE 	C43H81N11O12	943.6067	NA	PeJP	NA	NA
+PJ092882	AKKKKRW 	C44H77N15O8	943.608	NA	PeJP	NA	NA
+PJ092883	PVVLLLKY 	C48H81N9O10	943.6107	NA	PeJP	NA	NA
+PJ092884	LLKKMRR 	C41H81N15O8S	943.6114	NA	PeJP	NA	NA
+PJ092885	TLLLLLKM 	C45H85N9O10S	943.6141	NA	PeJP	NA	NA
+PJ092886	SSLLLKKR 	C42H81N13O11	943.6179	NA	PeJP	NA	NA
+PJ092887	GLLLLLFR 	C47H81N11O9	943.6219	NA	PeJP	NA	NA
+PJ092888	ALLLKKKM 	C44H85N11O9S	943.6253	NA	PeJP	NA	NA
+PJ092889	KKKKKER 	C41H81N15O10	943.6291	NA	PeJP	NA	NA
+PJ092890	VKKKKKW 	C46H81N13O8	943.6331	NA	PeJP	NA	NA
+PJ092891	TKKKKRR 	C40H81N17O9	943.6404	NA	PeJP	NA	NA
+PJ092892	TTLLLKKK 	C44H85N11O11	943.643	NA	PeJP	NA	NA
+PJ092893	VVLLLLKF 	C49H85N9O9	943.6471	NA	PeJP	NA	NA
+PJ092894	ATLKKKKK 	C43H85N13O10	943.6543	NA	PeJP	NA	NA
+MJ098354	Primycin; Primycin A2, 18-De(arabinosyloxy) 	C51H97N3O12	943.707225	NA	MeJP	NA	NA
+2678	NA	GGTYSCHFGPLTWVCKPQGG	943.9535	MH2+	Inhouse_peptide	NA	peptide
+7450	coeliac toxic peptide	QQPIQPQQFPQQQFF	943.954	MH2+	Inhouse_peptide	NA	peptide
+MJ098355	Geraniin; O-(3,4,5-Trihydroxybenzoyl) 	C48H32O21	944.143608	NA	MeJP	NA	NA
+FL3FAAGS0072	Apigenin 7-Glucuronosyl-(1->3)-[2''-p-coumaroylglucuronosyl)-(1->2)-glucuronide]	C42H40O25	944.18586	-	knapsack	NA	NA
+FL3FAAGS0073	Apigenin 7-glucuronide-4'-(2'''-E-p-coumaroylglucuronosyl)-(1->2)-glucuronide;4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid	C42H40O25	944.18586	365971-57-9	knapsack	NA	NA
+MJ098356	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[4-Hydroxycinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) 	C42H41O25(+)	944.185866	NA	MeJP	NA	NA
+PJ092895	GCCCCCCNH 	C30H48N12O11S6	944.189	NA	PeJP	NA	NA
+PJ092896	CCCCDMMH 	C32H52N10O11S6	944.2142	NA	PeJP	NA	NA
+PJ092897	CCDDDDEM 	C32H48N8O19S3	944.2198	NA	PeJP	NA	NA
+PJ092898	GCCCCNNND 	C30H48N12O15S4	944.2245	NA	PeJP	NA	NA
+PJ092899	GGGGGCCCCND 	C30H48N12O15S4	944.2246	NA	PeJP	NA	NA
+PJ092900	CCCCDDHF 	C35H48N10O13S4	944.2286	NA	PeJP	NA	NA
+PJ092901	GSCCCNDDE 	C31H48N10O18S3	944.2311	NA	PeJP	NA	NA
+PJ092902	GPCCCCNDM 	C32H52N10O13S5	944.2319	NA	PeJP	NA	NA
+PJ092903	CCCCCHHH 	C33H48N14O9S5	944.2333	NA	PeJP	NA	NA
+MJ098357	Betanidin; 5-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?5)-?-D-apiofuranosyl-(1?2)-6-O-malonyl-?-D-glucopyranoside] 	C42H44N2O23	944.233485	NA	MeJP	NA	NA
+PJ092904	GCCCCMYY 	C37H52N8O11S5	944.2359	NA	PeJP	NA	NA
+PJ092905	SCCCNDDW 	C35H48N10O15S3	944.2463	NA	PeJP	NA	NA
+PJ092906	PCCCCCQW 	C36H52N10O10S5	944.2472	NA	PeJP	NA	NA
+PJ092907	SSSCCNDDD 	C31H48N10O20S2	944.2488	NA	PeJP	NA	NA
+PJ092908	CCNNDDMM 	C32H52N10O15S4	944.2497	NA	PeJP	NA	NA
+PJ092909	SCCCMMMH 	C33H56N10O10S6	944.2506	NA	PeJP	NA	NA
+PJ092910	PCCDDDDY 	C36H48N8O18S2	944.2528	NA	PeJP	NA	NA
+PJ092911	STCCCCYY 	C37H52N8O13S4	944.2537	NA	PeJP	NA	NA
+PJ092912	SCDDDEMM 	C33H52N8O18S3	944.2562	NA	PeJP	NA	NA
+PJ092913	PCCDDMMM 	C34H56N8O13S5	944.2571	NA	PeJP	NA	NA
+PJ092914	CCCCNDER 	C31H52N12O14S4	944.2609	NA	PeJP	NA	NA
+PJ092915	CCNNDDDF 	C35H48N10O17S2	944.2641	NA	PeJP	NA	NA
+PJ092916	GCCCNEMW 	C36H52N10O12S4	944.2649	NA	PeJP	NA	NA
+PJ092917	GGGCCCEMW 	C36H52N10O12S4	944.265	NA	PeJP	NA	NA
+PJ092918	GSSCCNDEM 	C32H52N10O17S3	944.2674	NA	PeJP	NA	NA
+PJ092919	GGGSSCCDEM 	C32H52N10O17S3	944.2675	NA	PeJP	NA	NA
+PJ092920	GSPCCCNMM 	C33H56N10O12S5	944.2683	NA	PeJP	NA	NA
+PJ092921	CCCNNDHH 	C33H48N14O13S3	944.2688	NA	PeJP	NA	NA
+PJ092922	GCCCCFFY 	C41H52N8O10S4	944.269	NA	PeJP	NA	NA
+PJ092923	GDDDDDMY 	C36H48N8O20S	944.2706	NA	PeJP	NA	NA
+PJ092924	PCCDDDMF 	C37H52N8O15S3	944.2715	NA	PeJP	NA	NA
+PJ092925	GDDDMMMM 	C34H56N8O15S4	944.2748	NA	PeJP	NA	NA
+PJ092926	SCCDDEHH 	C34H48N12O16S2	944.2753	NA	PeJP	NA	NA
+PJ092927	GCCCCDRW 	C35H52N12O11S4	944.2762	NA	PeJP	NA	NA
+PJ092928	GSSCCCDDR 	C31H52N12O16S3	944.2787	NA	PeJP	NA	NA
+PJ092929	ASPCCCCCR 	C32H56N12O11S5	944.2795	NA	PeJP	NA	NA
+PJ092930	GPTCCCCCR 	C32H56N12O11S5	944.2796	NA	PeJP	NA	NA
+MJ098358	Sweroside; 4'-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(?3)-2,3-dihydroxybenzoyl], 2',3',6'-tri-Ac 	C41H52O25	944.279767	NA	MeJP	NA	NA
+PJ092931	CCCNMWW 	C40H52N10O9S4	944.2802	NA	PeJP	NA	NA
+PJ092932	SCNNDDDY 	C35H48N10O19S	944.2818	NA	PeJP	NA	NA
+PJ092933	SSCCNDMW 	C36H52N10O14S3	944.2827	NA	PeJP	NA	NA
+PJ092934	PCCCCCKW 	C37H56N10O9S5	944.2836	NA	PeJP	NA	NA
+PJ092935	SSSSCNDDM 	C32H52N10O19S2	944.2852	NA	PeJP	NA	NA
+PJ092936	CDDDEYW 	C40H48N8O17S	944.2859	NA	PeJP	NA	NA
+PJ092937	SCNNDMMM 	C33H56N10O14S4	944.2861	NA	PeJP	NA	NA
+PJ092938	CCCQYYY 	C41H52N8O12S3	944.2867	NA	PeJP	NA	NA
+PJ092939	SSDDDDEY 	C36H48N8O22	944.2884	NA	PeJP	NA	NA
+PJ092940	SPCDDDMY 	C37H52N8O17S2	944.2892	NA	PeJP	NA	NA
+PJ092941	CDEMMMW 	C38H56N8O12S4	944.2901	NA	PeJP	NA	NA
+PJ092942	SSDDEMMM 	C34H56N8O17S3	944.2926	NA	PeJP	NA	NA
+PJ092943	SPCDMMMM 	C35H60N8O12S5	944.2935	NA	PeJP	NA	NA
+PJ092944	CCCNNNQF 	C35H52N12O13S3	944.2939	NA	PeJP	NA	NA
+PJ092945	GGGGGGCCCQF 	C35H52N12O13S3	944.294	NA	PeJP	NA	NA
+PJ092946	GSSSSSCCNN 	C31H52N12O18S2	944.2964	NA	PeJP	NA	NA
+PJ092947	SCCCNEMR 	C32H56N12O13S4	944.2973	NA	PeJP	NA	NA
+PJ092948	GSTCCCWW 	C40H52N10O11S3	944.298	NA	PeJP	NA	NA
+PJ092949	GDDDEEEH 	C35H48N10O21	944.2996	NA	PeJP	NA	NA
+PJ092950	GSSSSCCEW 	C36H52N10O16S2	944.3005	NA	PeJP	NA	NA
+PJ092951	GSCCQMMW 	C37H56N10O11S4	944.3013	NA	PeJP	NA	NA
+PJ092952	GSSSSSSCDE 	C32H52N10O21S	944.303	NA	PeJP	NA	NA
+PJ092953	GDDDDDFF 	C40H48N8O19	944.3036	NA	PeJP	NA	NA
+PJ092954	GSSSCNEMM 	C33H56N10O16S3	944.3038	NA	PeJP	NA	NA
+PJ092955	CNNNNDDH 	C33H48N14O17S	944.3043	NA	PeJP	NA	NA
+PJ092956	CDDEMFW 	C41H52N8O14S2	944.3045	NA	PeJP	NA	NA
+PJ092957	GCNQMMMM 	C34H60N10O11S5	944.3047	NA	PeJP	NA	NA
+PJ092958	SCCNNMHH 	C34H52N14O12S3	944.3052	NA	PeJP	NA	NA
+PJ092959	GSDDEEMY 	C37H52N8O19S	944.307	NA	PeJP	NA	NA
+PJ092960	GPCDEMMY 	C38H56N8O14S3	944.3079	NA	PeJP	NA	NA
+PJ092961	GCDDDHHF 	C38H48N12O15S	944.3083	NA	PeJP	NA	NA
+PJ092962	SCCCCDRR 	C31H56N14O12S4	944.3085	NA	PeJP	NA	NA
+PJ092963	CCEMHHW 	C39H52N12O10S3	944.3092	NA	PeJP	NA	NA
+PJ092964	SNNDDDEH 	C34H48N12O20	944.3108	NA	PeJP	NA	NA
+PJ092965	GSEEMMMM 	C35H60N8O14S4	944.3112	NA	PeJP	NA	NA
+PJ092966	GCCNDDRY 	C35H52N12O15S2	944.3117	NA	PeJP	NA	NA
+PJ092967	APCMMMMM 	C36H64N8O9S6	944.3121	NA	PeJP	NA	NA
+PJ092968	GSCCCMRW 	C36H56N12O10S4	944.3126	NA	PeJP	NA	NA
+PJ092969	GCCDHHHH 	C36H48N16O11S2	944.313	NA	PeJP	NA	NA
+PJ092970	CCCHFFW 	C44H52N10O8S3	944.3132	NA	PeJP	NA	NA
+PJ092971	DDDEEHW 	C39H48N10O18	944.3149	NA	PeJP	NA	NA
+PJ092972	GSSSCCDMR 	C32H56N12O15S3	944.3151	NA	PeJP	NA	NA
+PJ092973	SSSSCCWW 	C40H52N10O13S2	944.3157	NA	PeJP	NA	NA
+PJ092974	GCCNMMMR 	C33H60N12O10S5	944.3159	NA	PeJP	NA	NA
+PJ092975	SSSSSSCDW 	C36H52N10O18S	944.3182	NA	PeJP	NA	NA
+PJ092976	SSSCNMMW 	C37H56N10O13S3	944.3191	NA	PeJP	NA	NA
+PJ092977	SSSSSSSSDD 	C32H52N10O23	944.3207	NA	PeJP	NA	NA
+PJ092978	SSSSSNDMM 	C33H56N10O18S2	944.3216	NA	PeJP	NA	NA
+PJ092979	SDDEMYW 	C41H52N8O16S	944.3222	NA	PeJP	NA	NA
+PJ092980	SSNNMMMM 	C34H60N10O13S4	944.3224	NA	PeJP	NA	NA
+PJ092981	GGSSNMMMM 	C34H60N10O13S4	944.3225	NA	PeJP	NA	NA
+PJ092982	GSSSCCQHH 	C34H52N14O14S2	944.3229	NA	PeJP	NA	NA
+PJ092983	GGGGGGGSPCCH 	C34H52N14O14S2	944.323	NA	PeJP	NA	NA
+PJ092984	PCDMMYW 	C42H56N8O11S3	944.3231	NA	PeJP	NA	NA
+PJ092985	SSSDEEEY 	C37H52N8O21	944.3247	NA	PeJP	NA	NA
+PJ092986	NEEEMMY 	C38H56N8O16S2	944.3256	NA	PeJP	NA	NA
+PJ092987	GSNDDDHW 	C38H48N12O17	944.3261	NA	PeJP	NA	NA
+PJ092988	SEMMMMW 	C39H60N8O11S4	944.3265	NA	PeJP	NA	NA
+PJ092989	APCCNDHW 	C39H52N12O12S2	944.3269	NA	PeJP	NA	NA
+PJ092990	GPCCNEHW 	C39H52N12O12S2	944.327	NA	PeJP	NA	NA
+PJ092991	ACCCCMRR 	C32H60N14O9S5	944.3272	NA	PeJP	NA	NA
+PJ092992	SSTEEMMM 	C35H60N8O16S3	944.329	NA	PeJP	NA	NA
+PJ092993	GSSSCNNNY 	C35H52N12O17S	944.3294	NA	PeJP	NA	NA
+PJ092994	GGGGGSSSCNY 	C35H52N12O17S	944.3295	NA	PeJP	NA	NA
+PJ092995	SSPMMMMM 	C36H64N8O11S5	944.3298	NA	PeJP	NA	NA
+PJ092996	AAEMMMMM 	C36H64N8O11S5	944.3299	NA	PeJP	NA	NA
+PJ092997	SSTCCCRW 	C36H56N12O12S3	944.3303	NA	PeJP	NA	NA
+PJ092998	GCCQYWW 	C44H52N10O10S2	944.331	NA	PeJP	NA	NA
+PJ092999	SSSSSCCER 	C32H56N12O17S2	944.3328	NA	PeJP	NA	NA
+PJ093000	GSSCNEYW 	C40H52N10O15S	944.3335	NA	PeJP	NA	NA
+PJ093001	SSCCQMMR 	C33H60N12O12S4	944.3337	NA	PeJP	NA	NA
+PJ093002	CNNMMFW 	C41H56N10O10S3	944.3343	NA	PeJP	NA	NA
+PJ093003	GGGGCMMFW 	C41H56N10O10S3	944.3344	NA	PeJP	NA	NA
+PJ093004	GSSSSNDEY 	C36H52N10O20	944.336	NA	PeJP	NA	NA
+PJ093005	GSSSSTCMW 	C37H56N10O15S2	944.3368	NA	PeJP	NA	NA
+PJ093006	GGGGGSEMMY 	C37H56N10O15S2	944.3369	NA	PeJP	NA	NA
+PJ093007	PCDDFYW 	C45H52N8O13S	944.3375	NA	PeJP	NA	NA
+PJ093008	GSCCKMMW 	C38H60N10O10S4	944.3377	NA	PeJP	NA	NA
+PJ093009	GCCNQHHF 	C38H52N14O11S2	944.3382	NA	PeJP	NA	NA
+PJ093010	GSSSSSSSEM 	C33H56N10O20S	944.3393	NA	PeJP	NA	NA
+PJ093011	GSPDDEYY 	C41H52N8O18	944.34	NA	PeJP	NA	NA
+PJ093012	GSSSSQMMM 	C34H60N10O15S3	944.3402	NA	PeJP	NA	NA
+PJ093013	GCNDDEHR 	C34H52N14O16S	944.3407	NA	PeJP	NA	NA
+PJ093014	GEEMMYW 	C42H56N8O13S2	944.3409	NA	PeJP	NA	NA
+PJ093015	DMMMMMR 	C35H64N10O10S5	944.3411	NA	PeJP	NA	NA
+PJ093016	SCCCQKHH 	C35H56N14O11S3	944.3416	NA	PeJP	NA	NA
+PJ093017	PCMMMFW 	C43H60N8O8S4	944.3417	NA	PeJP	NA	NA
+PJ093018	PCCNHWW 	C43H52N12O9S2	944.3422	NA	PeJP	NA	NA
+PJ093019	GSTEEEMY 	C38H56N8O18S	944.3434	NA	PeJP	NA	NA
+PJ093020	GSPEMMMY 	C39H60N8O13S3	944.3442	NA	PeJP	NA	NA
+PJ093021	NNDEMHW 	C39H52N12O14S	944.3447	NA	PeJP	NA	NA
+PJ093022	SSCCCMRR 	C32H60N14O11S4	944.3449	NA	PeJP	NA	NA
+PJ093023	CLMMMMW 	C40H64N8O8S5	944.3451	NA	PeJP	NA	NA
+PJ093024	CCCQFRW 	C40H56N12O9S3	944.3456	NA	PeJP	NA	NA
+PJ093025	SSNNEEEH 	C35H52N12O19	944.3472	NA	PeJP	NA	NA
+PJ093026	ATTEMMMM 	C36H64N8O13S4	944.3476	NA	PeJP	NA	NA
+PJ093027	GSCNDMRY 	C36H56N12O14S2	944.3481	NA	PeJP	NA	NA
+PJ093028	GNNDDHHH 	C36H48N16O15	944.3486	NA	PeJP	NA	NA
+PJ093029	SSCNYWW 	C44H52N10O12S	944.3487	NA	PeJP	NA	NA
+PJ093030	QMMMMHH 	C37H60N12O9S4	944.3489	NA	PeJP	NA	NA
+PJ093031	GAMMMMHH 	C37H60N12O9S4	944.349	NA	PeJP	NA	NA
+PJ093032	GSCMHHHH 	C37H52N16O10S2	944.3494	NA	PeJP	NA	NA
+PJ093033	SSSSNDYW 	C40H52N10O17	944.3512	NA	PeJP	NA	NA
+PJ093034	GSSSSCMMR 	C33H60N12O14S3	944.3514	NA	PeJP	NA	NA
+PJ093035	SNNMMYW 	C41H56N10O12S2	944.3521	NA	PeJP	NA	NA
+PJ093036	ACCCKMMR 	C34H64N12O9S5	944.3523	NA	PeJP	NA	NA
+MJ098359	Pulosarioside 	C43H60O23	944.352538	NA	MeJP	NA	NA
+PJ093037	SSSSSSSMW 	C37H56N10O17S	944.3546	NA	PeJP	NA	NA
+PJ093038	SPDDYYW 	C45H52N8O15	944.3552	NA	PeJP	NA	NA
+PJ093039	GDEEFYW 	C45H52N8O15	944.3553	NA	PeJP	NA	NA
+PJ093040	SSTCCKMW 	C38H60N10O12S3	944.3555	NA	PeJP	NA	NA
+PJ093041	CNDDHRW 	C38H52N14O13S	944.3559	NA	PeJP	NA	NA
+PJ093042	GGCDDHRW 	C38H52N14O13S	944.356	NA	PeJP	NA	NA
+PJ093043	EMMYWW 	C46H56N8O10S2	944.3561	NA	PeJP	NA	NA
+PJ093044	SSSSSSSSTE 	C33H56N10O22	944.3571	NA	PeJP	NA	NA
+PJ093045	SSSSSTQMM 	C34H60N10O17S2	944.358	NA	PeJP	NA	NA
+PJ093046	SSNDDDHR 	C34H52N14O18	944.3584	NA	PeJP	NA	NA
+PJ093047	GGSSDDDHR 	C34H52N14O18	944.3585	NA	PeJP	NA	NA
+PJ093048	STEEMYW 	C42H56N8O15S	944.3586	NA	PeJP	NA	NA
+PJ093049	SSCQKMMM 	C35H64N10O12S4	944.3588	NA	PeJP	NA	NA
+PJ093050	SPCCNEHR 	C35H56N14O13S2	944.3593	NA	PeJP	NA	NA
+PJ093051	SPMMMYW 	C43H60N8O10S3	944.3595	NA	PeJP	NA	NA
+PJ093052	GNDMHWW 	C43H52N12O11S	944.36	NA	PeJP	NA	NA
+PJ093053	CMMMHHR 	C36H60N14O8S4	944.3602	NA	PeJP	NA	NA
+PJ093054	SSTTEEEY 	C38H56N8O20	944.3611	NA	PeJP	NA	NA
+PJ093055	DKEEMMY 	C39H60N8O15S2	944.362	NA	PeJP	NA	NA
+PJ093056	GSNNNNYY 	C39H52N12O16	944.3624	NA	PeJP	NA	NA
+PJ093057	GSSNEEHW 	C39H52N12O16	944.3625	NA	PeJP	NA	NA
+PJ093058	AAPMMMMY 	C40H64N8O10S4	944.3629	NA	PeJP	NA	NA
+PJ093059	SCCQRYW 	C40H56N12O11S2	944.3633	NA	PeJP	NA	NA
+PJ093060	GGGAPPCCHF 	C40H56N12O11S2	944.3634	NA	PeJP	NA	NA
+PJ093061	TTTTEMMM 	C36H64N8O15S3	944.3654	NA	PeJP	NA	NA
+PJ093062	SSSCNERY 	C36H56N12O16S	944.3658	NA	PeJP	NA	NA
+PJ093063	GAPPCDDDR 	C36H56N12O16S	944.3659	NA	PeJP	NA	NA
+PJ093064	GTLMMMMM 	C37H68N8O10S5	944.3662	NA	PeJP	NA	NA
+PJ093065	GNNEYYW 	C44H52N10O14	944.3665	NA	PeJP	NA	NA
+PJ093066	CNQMMRY 	C37H60N12O11S3	944.3667	NA	PeJP	NA	NA
+PJ093067	SSTCHHHH 	C37H52N16O12S	944.3672	NA	PeJP	NA	NA
+PJ093068	GCCKYWW 	C45H56N10O9S2	944.3674	NA	PeJP	NA	NA
+PJ093069	SSSSSTCMR 	C33H60N12O16S2	944.3692	NA	PeJP	NA	NA
+PJ093070	NNNNNNNQ 	C33H52N16O17	944.3697	NA	PeJP	NA	NA
+PJ093071	GSSSQMYW 	C41H56N10O14S	944.3698	NA	PeJP	NA	NA
+PJ093072	GGGSSTMYW 	C41H56N10O14S	944.3699	NA	PeJP	NA	NA
+PJ093073	SSCCKMMR 	C34H64N12O11S4	944.3701	NA	PeJP	NA	NA
+PJ093074	DEFYWW 	C49H52N8O12	944.3705	NA	PeJP	NA	NA
+PJ093075	GGGCNNMHR 	C34H56N16O12S2	944.3706	NA	PeJP	NA	NA
+PJ093076	CCQKMFW 	C42H60N10O9S3	944.3707	NA	PeJP	NA	NA
+PJ093077	PCEHHHW 	C42H52N14O10S	944.3712	NA	PeJP	NA	NA
+PJ093078	GSSSSTQEY 	C37H56N10O19	944.3723	NA	PeJP	NA	NA
+PJ093079	GGGSSSTTEY 	C37H56N10O19	944.3724	NA	PeJP	NA	NA
+PJ093080	SEEMMRY 	C38H60N10O14S2	944.3732	NA	PeJP	NA	NA
+PJ093081	SSSNNNHW 	C38H52N14O15	944.3737	NA	PeJP	NA	NA
+PJ093082	GPEMYYW 	C46H56N8O12S	944.3739	NA	PeJP	NA	NA
+PJ093083	APPMMMMH 	C39H64N10O9S4	944.3741	NA	PeJP	NA	NA
+PJ093084	GSPCCHRW 	C39H56N14O10S2	944.3746	NA	PeJP	NA	NA
+PJ093085	CQHWWW 	C47H52N12O8S	944.3752	NA	PeJP	NA	NA
+PJ093086	GSSSSSTTTM 	C34H60N10O19S	944.3757	NA	PeJP	NA	NA
+PJ093087	VNEEEYY 	C42H56N8O17	944.3764	NA	PeJP	NA	NA
+PJ093088	GSSSSKMMM 	C35H64N10O14S3	944.3766	NA	PeJP	NA	NA
+PJ093089	GSNDEMHR 	C35H56N14O15S	944.3771	NA	PeJP	NA	NA
+PJ093090	SVEMMYW 	C43H60N8O12S2	944.3772	NA	PeJP	NA	NA
+PJ093091	GAPEMMFY 	C43H60N8O12S2	944.3773	NA	PeJP	NA	NA
+PJ093092	ACCKKMMM 	C36H68N10O9S5	944.3775	NA	PeJP	NA	NA
+PJ093093	SSNEHWW 	C43H52N12O13	944.3777	NA	PeJP	NA	NA
+PJ093094	CCNMRRY 	C36H60N14O10S3	944.3779	NA	PeJP	NA	NA
+PJ093095	GGGPCMMHR 	C36H60N14O10S3	944.378	NA	PeJP	NA	NA
+PJ093096	GMMHHFW 	C44H56N12O8S2	944.3786	NA	PeJP	NA	NA
+PJ093097	SSSLEEMY 	C39H60N8O17S	944.3797	NA	PeJP	NA	NA
+PJ093098	PPVDEEEM 	C39H60N8O17S	944.3798	NA	PeJP	NA	NA
+PJ093099	LQEMMMY 	C40H64N8O12S3	944.3806	NA	PeJP	NA	NA
+PJ093100	GSSSCRYW 	C40H56N12O13S	944.3811	NA	PeJP	NA	NA
+PJ093101	NNYYWW 	C48H52N10O11	944.3817	NA	PeJP	NA	NA
+PJ093102	CCCKFRW 	C41H60N12O8S3	944.382	NA	PeJP	NA	NA
+PJ093103	CQHHHHF 	C41H52N16O9S	944.3824	NA	PeJP	NA	NA
+PJ093104	GSSSSSDRY 	C36H56N12O18	944.3836	NA	PeJP	NA	NA
+PJ093105	STTLMMMM 	C37H68N8O12S4	944.384	NA	PeJP	NA	NA
+PJ093106	SSVCCQRY 	C37H60N12O13S2	944.3844	NA	PeJP	NA	NA
+PJ093107	GSSNMMRY 	C37H60N12O13S2	944.3845	NA	PeJP	NA	NA
+PJ093108	DDEHHHR 	C37H52N16O14	944.3849	NA	PeJP	NA	NA
+PJ093109	GGGGGTEHHH 	C37H52N16O14	944.385	NA	PeJP	NA	NA
+PJ093110	PPNDMWW 	C45H56N10O11S	944.3851	NA	PeJP	NA	NA
+PJ093111	KMMMMHH 	C38H64N12O8S4	944.3853	NA	PeJP	NA	NA
+PJ093112	SSSSTQYW 	C41H56N10O16	944.3876	NA	PeJP	NA	NA
+PJ093113	GSCDDHRR 	C34H56N16O14S	944.3883	NA	PeJP	NA	NA
+PJ093114	SCQKMYW 	C42H60N10O11S2	944.3885	NA	PeJP	NA	NA
+PJ093115	NNNNHFW 	C42H52N14O12	944.3889	NA	PeJP	NA	NA
+MJ098360	Jaspogeranoside A; 2'',3''-Dihydro 	C44H64O22	944.388923	NA	MeJP	NA	NA
+PJ093116	GGNNNHFW 	C42H52N14O12	944.389	NA	PeJP	NA	NA
+PJ093117	PMYYWW 	C50H56N8O9S	944.3891	NA	PeJP	NA	NA
+PJ093118	APCCCHRR 	C35H60N16O9S3	944.3892	NA	PeJP	NA	NA
+PJ093119	SSSNKEMY 	C38H60N10O16S	944.391	NA	PeJP	NA	NA
+PJ093120	GVEEYYW 	C46H56N8O14	944.3916	NA	PeJP	NA	NA
+PJ093121	NQKMMMY 	C39H64N10O11S3	944.3918	NA	PeJP	NA	NA
+PJ093122	VDMMMRY 	C39H64N10O11S3	944.3919	NA	PeJP	NA	NA
+PJ093123	SNDMHRW 	C39H56N14O12S	944.3923	NA	PeJP	NA	NA
+PJ093124	APMMFYW 	C47H60N8O9S2	944.3925	NA	PeJP	NA	NA
+PJ093125	GSSHWWW 	C47H52N12O10	944.393	NA	PeJP	NA	NA
+PJ093126	SSSSSSTTTT 	C34H60N10O21	944.3935	NA	PeJP	NA	NA
+PJ093127	SSSSSTKMM 	C35H64N10O16S2	944.3943	NA	PeJP	NA	NA
+PJ093128	GPDDDDRR 	C35H56N14O17	944.3948	NA	PeJP	NA	NA
+PJ093129	GGGGGGPTDDR 	C35H56N14O17	944.3949	NA	PeJP	NA	NA
+PJ093130	PDKEMYY 	C43H60N8O14S	944.395	NA	PeJP	NA	NA
+PJ093131	SSCKKMMM 	C36H68N10O11S4	944.3952	NA	PeJP	NA	NA
+PJ093132	GSTCCRRY 	C36H60N14O12S2	944.3957	NA	PeJP	NA	NA
+PJ093133	ALMMMYW 	C44H64N8O9S3	944.3959	NA	PeJP	NA	NA
+PJ093134	GTQMHWW 	C44H56N12O10S	944.3963	NA	PeJP	NA	NA
+PJ093135	GGATMHWW 	C44H56N12O10S	944.3964	NA	PeJP	NA	NA
+PJ093136	TTTTTEEY 	C39H60N8O19	944.3975	NA	PeJP	NA	NA
+PJ093137	GTTLEMMY 	C40H64N8O14S2	944.3984	NA	PeJP	NA	NA
+PJ093138	GSTTQEHW 	C40H56N12O15	944.3988	NA	PeJP	NA	NA
+PJ093139	PNDEERW 	C40H56N12O15	944.3989	NA	PeJP	NA	NA
+PJ093140	AALMMMMF 	C41H68N8O9S4	944.3993	NA	PeJP	NA	NA
+PJ093141	SCCKRYW 	C41H60N12O10S2	944.3997	NA	PeJP	NA	NA
+PJ093142	SNQHHHW 	C41H52N16O11	944.4002	NA	PeJP	NA	NA
+PJ093143	APPCWWW 	C49H56N10O8S	944.4004	NA	PeJP	NA	NA
+PJ093144	SSSSQMRY 	C37H60N12O15S	944.4022	NA	PeJP	NA	NA
+PJ093145	GGGGGGGGPLEM 	C37H60N12O15S	944.4023	NA	PeJP	NA	NA
+PJ093146	APQEEWW 	C45H56N10O13	944.4029	NA	PeJP	NA	NA
+PJ093147	CNKMMRY 	C38H64N12O10S3	944.4031	NA	PeJP	NA	NA
+PJ093148	QQQMHHH 	C38H56N16O11S	944.4036	NA	PeJP	NA	NA
+PJ093149	PPMMHFW 	C46H60N10O8S2	944.4037	NA	PeJP	NA	NA
+PJ093150	NNNNNNNK 	C34H56N16O16	944.406	NA	PeJP	NA	NA
+PJ093151	GSSSSNNHR 	C34H56N16O16	944.4061	NA	PeJP	NA	NA
+PJ093152	GSSSKMYW 	C42H60N10O13S	944.4062	NA	PeJP	NA	NA
+PJ093153	GPPDDKMW 	C42H60N10O13S	944.4063	NA	PeJP	NA	NA
+PJ093154	VEYYWW 	C50H56N8O11	944.4069	NA	PeJP	NA	NA
+PJ093155	GGGGACCKHR 	C35H60N16O11S2	944.407	NA	PeJP	NA	NA
+PJ093156	CCKKMFW 	C43H64N10O8S3	944.4071	NA	PeJP	NA	NA
+PJ093157	GTCHRWW 	C43H56N14O9S	944.4076	NA	PeJP	NA	NA
+PJ093158	GSSSSTKEY 	C38H60N10O18	944.4087	NA	PeJP	NA	NA
+PJ093159	GPQKEEEE 	C38H60N10O18	944.4088	NA	PeJP	NA	NA
+PJ093160	GSTQKMMY 	C39H64N10O13S2	944.4096	NA	PeJP	NA	NA
+PJ093161	GSSSEHRW 	C39H56N14O14	944.4101	NA	PeJP	NA	NA
+PJ093162	SPVMYYW 	C47H60N8O11S	944.4102	NA	PeJP	NA	NA
+PJ093163	PTCLYYW 	C47H60N8O11S	944.4103	NA	PeJP	NA	NA
+PJ093164	VMMMMFR 	C40H68N10O8S4	944.4105	NA	PeJP	NA	NA
+PJ093165	ANMMHRW 	C40H60N14O9S2	944.4109	NA	PeJP	NA	NA
+PJ093166	GQMMHRW 	C40H60N14O9S2	944.411	NA	PeJP	NA	NA
+PJ093167	GSPHHHHH 	C40H52N18O10	944.4114	NA	PeJP	NA	NA
+PJ093168	CKHWWW 	C48H56N12O7S	944.4116	NA	PeJP	NA	NA
+PJ093169	VDKEEYY 	C43H60N8O16	944.4128	NA	PeJP	NA	NA
+PJ093170	SSSSCRRY 	C36H60N14O14S	944.4134	NA	PeJP	NA	NA
+PJ093171	SPPCDDRR 	C36H60N14O14S	944.4135	NA	PeJP	NA	NA
+PJ093172	TTLMMYW 	C44H64N8O11S2	944.4136	NA	PeJP	NA	NA
+PJ093173	GPDERWW 	C44H56N12O12	944.4141	NA	PeJP	NA	NA
+PJ093174	APCCKMHR 	C37H64N14O9S3	944.4143	NA	PeJP	NA	NA
+PJ093175	NNMHHHR 	C37H56N18O10S	944.4148	NA	PeJP	NA	NA
+PJ093176	STTTLEMY 	C40H64N8O16S	944.4161	NA	PeJP	NA	NA
+PJ093177	LKEMMMY 	C41H68N8O11S3	944.417	NA	PeJP	NA	NA
+PJ093178	GSPPDMRW 	C41H60N12O12S	944.4175	NA	PeJP	NA	NA
+PJ093179	AAPEWWW 	C49H56N10O10	944.4181	NA	PeJP	NA	NA
+PJ093180	CCDHRRR 	C34H60N18O10S2	944.4182	NA	PeJP	NA	NA
+PJ093181	CKHHHHF 	C42H56N16O8S	944.4188	NA	PeJP	NA	NA
+PJ093182	GSSSSTTRY 	C37H60N12O17	944.42	NA	PeJP	NA	NA
+PJ093183	GSTCKMRY 	C38H64N12O12S2	944.4208	NA	PeJP	NA	NA
+PJ093184	GPPQEMMR 	C38H64N12O12S2	944.4209	NA	PeJP	NA	NA
+PJ093185	NNNNQRW 	C38H56N16O13	944.4213	NA	PeJP	NA	NA
+PJ093186	GGGGGGGGGARW 	C38H56N16O13	944.4214	NA	PeJP	NA	NA
+PJ093187	PPTQMWW 	C46H60N10O10S	944.4215	NA	PeJP	NA	NA
+PJ093188	PFFYWW 	C54H56N8O8	944.4221	NA	PeJP	NA	NA
+PJ093189	GCMHRRW 	C39H60N16O8S2	944.4222	NA	PeJP	NA	NA
+PJ093190	SSSSTKYW 	C42H60N10O15	944.424	NA	PeJP	NA	NA
+PJ093191	GSSDMHRR 	C35H60N16O13S	944.4247	NA	PeJP	NA	NA
+PJ093192	SCKKMYW 	C43H64N10O10S2	944.4249	NA	PeJP	NA	NA
+PJ093193	SSSHRWW 	C43H56N14O11	944.4253	NA	PeJP	NA	NA
+MJ098361	3,6,8,14-Tetrahydroxybufa-20,22-dienolide, 3-O-[6-Deoxy-3-O-methyl-?-L-glucopyranosyl-(1r4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 6-Ac 	C45H68O21	944.425309	NA	MeJP	NA	NA
+PJ093194	GGGEHFRW 	C43H56N14O11	944.4254	NA	PeJP	NA	NA
+PJ093195	LMFYWW 	C51H60N8O8S	944.4255	NA	PeJP	NA	NA
+PJ093196	SSSDKKMY 	C39H64N10O15S	944.4274	NA	PeJP	NA	NA
+PJ093197	ATLEYYW 	C47H60N8O13	944.428	NA	PeJP	NA	NA
+PJ093198	TLMMMRY 	C40H68N10O10S3	944.4282	NA	PeJP	NA	NA
+PJ093199	GGPPPKMMM 	C40H68N10O10S3	944.4283	NA	PeJP	NA	NA
+PJ093200	STQMHRW 	C40H60N14O11S	944.4287	NA	PeJP	NA	NA
+PJ093201	ALMMFFW 	C48H64N8O8S2	944.4289	NA	PeJP	NA	NA
+PJ093202	PDRWWW 	C48H56N12O9	944.4294	NA	PeJP	NA	NA
+PJ093203	GSPDEERR 	C36H60N14O16	944.4312	NA	PeJP	NA	NA
+PJ093204	GGGGGGGGGGVKE 	C36H60N14O16	944.4313	NA	PeJP	NA	NA
+PJ093205	VLQEMYY 	C44H64N8O13S	944.4314	NA	PeJP	NA	NA
+PJ093206	GPPCEMRR 	C37H64N14O11S2	944.4321	NA	PeJP	NA	NA
+PJ093207	GSSQHHHR 	C37H56N18O12	944.4326	NA	PeJP	NA	NA
+PJ093208	PPTCRWW 	C45H60N12O9S	944.4327	NA	PeJP	NA	NA
+PJ093209	SPLLEEEE 	C40H64N8O18	944.4339	NA	PeJP	NA	NA
+PJ093210	SSTLLMMY 	C41H68N8O13S2	944.4348	NA	PeJP	NA	NA
+PJ093211	PTQEERW 	C41H60N12O14	944.4352	NA	PeJP	NA	NA
+PJ093212	GGGGAALQEW 	C41H60N12O14	944.4353	NA	PeJP	NA	NA
+PJ093213	PPQMMRW 	C42H64N12O9S2	944.4361	NA	PeJP	NA	NA
+PJ093214	SNKHHHW 	C42H56N16O10	944.4366	NA	PeJP	NA	NA
+PJ093215	SSSSKMRY 	C38H64N12O14S	944.4386	NA	PeJP	NA	NA
+PJ093216	SPLQEWW 	C46H60N10O12	944.4392	NA	PeJP	NA	NA
+PJ093217	APKEEWW 	C46H60N10O12	944.4393	NA	PeJP	NA	NA
+PJ093218	APCKKMMH 	C39H68N12O9S3	944.4395	NA	PeJP	NA	NA
+PJ093219	STCHRRW 	C39H60N16O10S	944.4399	NA	PeJP	NA	NA
+PJ093220	GGPCNRRW 	C39H60N16O10S	944.44	NA	PeJP	NA	NA
+PJ093221	NHFRWW 	C47H56N14O8	944.4406	NA	PeJP	NA	NA
+PJ093222	SSSSEHRR 	C35H60N16O15	944.4424	NA	PeJP	NA	NA
+PJ093223	GGNQEERR 	C35H60N16O15	944.4425	NA	PeJP	NA	NA
+PJ093224	GPPTKEMW 	C43H64N10O12S	944.4426	NA	PeJP	NA	NA
+PJ093225	GPLFYYW 	C51H60N8O10	944.4433	NA	PeJP	NA	NA
+PJ093226	VVMHHHW 	C44H60N14O8S	944.444	NA	PeJP	NA	NA
+PJ093227	SSSSSSLKY 	C39H64N10O17	944.4451	NA	PeJP	NA	NA
+PJ093228	GGGAALLEEE 	C39H64N10O17	944.4452	NA	PeJP	NA	NA
+PJ093229	GSTKKMMY 	C40H68N10O12S2	944.446	NA	PeJP	NA	NA
+PJ093230	SPDERRW 	C40H60N14O13	944.4465	NA	PeJP	NA	NA
+PJ093231	GLLMYYW 	C48H64N8O10S	944.4466	NA	PeJP	NA	NA
+PJ093232	GAPLMFFY 	C48H64N8O10S	944.4467	NA	PeJP	NA	NA
+PJ093233	PPCMRRW 	C41H64N14O8S2	944.4473	NA	PeJP	NA	NA
+PJ093234	LQHHHHH 	C41H56N18O9	944.4478	NA	PeJP	NA	NA
+PJ093235	TLKEEYY 	C44H64N8O15	944.4491	NA	PeJP	NA	NA
+PJ093236	PPPTLEEY 	C44H64N8O15	944.4492	NA	PeJP	NA	NA
+PJ093237	PQEEMRR 	C37H64N14O13S	944.4498	NA	PeJP	NA	NA
+PJ093238	GAPEEMRR 	C37H64N14O13S	944.4499	NA	PeJP	NA	NA
+PJ093239	PLKMMYY 	C45H68N8O10S2	944.45	NA	PeJP	NA	NA
+PJ093240	APTERWW 	C45H60N12O11	944.4505	NA	PeJP	NA	NA
+PJ093241	CQKHHHR 	C38H60N18O9S	944.4512	NA	PeJP	NA	NA
+MJ098362	?-Rhodomycin IV 	C48H68N2O17	944.451798	NA	MeJP	NA	NA
+PJ093242	PVVLEEEM 	C41H68N8O15S	944.4525	NA	PeJP	NA	NA
+PJ093243	NNDDRRR 	C34H60N18O14	944.4537	NA	PeJP	NA	NA
+PJ093244	ANKMRYY 	C42H64N12O11S	944.4538	NA	PeJP	NA	NA
+PJ093245	PVQEMRW 	C42H64N12O11S	944.4539	NA	PeJP	NA	NA
+PJ093246	GPTLWWW 	C50H60N10O9	944.4545	NA	PeJP	NA	NA
+PJ093247	SCMHRRR 	C35H64N18O9S2	944.4546	NA	PeJP	NA	NA
+PJ093248	ASTTTTLNH 	C38H64N12O16	944.4563	NA	PeJP	NA	NA
+PJ093249	GPTKEEER 	C38H64N12O16	944.4564	NA	PeJP	NA	NA
+PJ093250	GPPKEMMR 	C39H68N12O11S2	944.4572	NA	PeJP	NA	NA
+PJ093251	GGGAPPCKKM 	C39H68N12O11S2	944.4573	NA	PeJP	NA	NA
+PJ093252	GNQERRW 	C39H60N16O12	944.4577	NA	PeJP	NA	NA
+PJ093253	PPTKMWW 	C47H64N10O9S	944.4579	NA	PeJP	NA	NA
+PJ093254	LFFFWW 	C55H60N8O7	944.4585	NA	PeJP	NA	NA
+PJ093255	PKKEEEW 	C43H64N10O14	944.4604	NA	PeJP	NA	NA
+PJ093256	PDDMRRR 	C36H64N16O12S	944.4611	NA	PeJP	NA	NA
+PJ093257	NKKMMFF 	C44H68N10O9S2	944.4612	NA	PeJP	NA	NA
+PJ093258	GPPVKMMW 	C44H68N10O9S2	944.4613	NA	PeJP	NA	NA
+PJ093259	AAQQRWW 	C44H60N14O10	944.4617	NA	PeJP	NA	NA
+PJ093260	SSTTKKMY 	C40H68N10O14S	944.4637	NA	PeJP	NA	NA
+PJ093261	TTTLLEMH 	C40H68N10O14S	944.4638	NA	PeJP	NA	NA
+PJ093262	STLLYYW 	C48H64N8O12	944.4644	NA	PeJP	NA	NA
+PJ093263	GLLLMMMH 	C41H72N10O9S3	944.4646	NA	PeJP	NA	NA
+PJ093264	APEMRRW 	C41H64N14O10S	944.4651	NA	PeJP	NA	NA
+PJ093265	GPPFRWW 	C49H60N12O8	944.4658	NA	PeJP	NA	NA
+PJ093266	VQEEERR 	C37H64N14O15	944.4676	NA	PeJP	NA	NA
+PJ093267	VLKEMYY 	C45H68N8O12S	944.4678	NA	PeJP	NA	NA
+PJ093268	GPPTMMRR 	C38H68N14O10S2	944.4685	NA	PeJP	NA	NA
+PJ093269	PNEHHRR 	C38H60N18O11	944.4689	NA	PeJP	NA	NA
+PJ093270	GGPEHHRR 	C38H60N18O11	944.469	NA	PeJP	NA	NA
+PJ093271	GPLMRWW 	C46H64N12O8S	944.4691	NA	PeJP	NA	NA
+PJ093272	ALLLEEEE 	C41H68N8O17	944.4703	NA	PeJP	NA	NA
+PJ093273	PTKEERW 	C42H64N12O13	944.4716	NA	PeJP	NA	NA
+PJ093274	GGGGGGGGPLLF 	C42H64N12O13	944.4717	NA	PeJP	NA	NA
+PJ093275	GSPCNRRR 	C35H64N18O11S	944.4723	NA	PeJP	NA	NA
+PJ093276	PPKMMRW 	C43H68N12O8S2	944.4725	NA	PeJP	NA	NA
+PJ093277	NQRRWW 	C43H60N16O9	944.473	NA	PeJP	NA	NA
+PJ093278	GPVKEEMR 	C39H68N12O13S	944.475	NA	PeJP	NA	NA
+PJ093279	SPLKEWW 	C47H64N10O11	944.4756	NA	PeJP	NA	NA
+PJ093280	GAALLEWW 	C47H64N10O11	944.4757	NA	PeJP	NA	NA
+PJ093281	AQMHFRR 	C40H64N16O9S	944.4763	NA	PeJP	NA	NA
+PJ093282	AEEERRR 	C36H64N16O14	944.4788	NA	PeJP	NA	NA
+PJ093283	GGGGGSLERR 	C36H64N16O14	944.4789	NA	PeJP	NA	NA
+PJ093284	AAPLKEMW 	C44H68N10O11S	944.479	NA	PeJP	NA	NA
+PJ093285	GLLFFYW 	C52H64N8O9	944.4797	NA	PeJP	NA	NA
+PJ093286	SPVKKEEE 	C40H68N10O16	944.4815	NA	PeJP	NA	NA
+PJ093287	STLLLMMH 	C41H72N10O11S2	944.4824	NA	PeJP	NA	NA
+PJ093288	AQQKERW 	C41H64N14O12	944.4828	NA	PeJP	NA	NA
+PJ093289	GLEERRW 	C41H64N14O12	944.4829	NA	PeJP	NA	NA
+PJ093290	PLKMFFY 	C49H68N8O9S	944.483	NA	PeJP	NA	NA
+PJ093291	GPHHRRW 	C42H60N18O8	944.4842	NA	PeJP	NA	NA
+PJ093292	SSSLLLYY 	C45H68N8O14	944.4855	NA	PeJP	NA	NA
+PJ093293	PKEEMRR 	C38H68N14O12S	944.4862	NA	PeJP	NA	NA
+PJ093294	GGGGGGALLMR 	C38H68N14O12S	944.4863	NA	PeJP	NA	NA
+PJ093295	LLKMMFY 	C46H72N8O9S2	944.4864	NA	PeJP	NA	NA
+PJ093296	GVLERWW 	C46H64N12O10	944.4869	NA	PeJP	NA	NA
+PJ093297	ACHFRRR 	C39H64N18O8S	944.4876	NA	PeJP	NA	NA
+PJ093298	PTLLLEEM 	C42H72N8O14S	944.4889	NA	PeJP	NA	NA
+PJ093299	PPLLLMMM 	C43H76N8O9S3	944.4898	NA	PeJP	NA	NA
+PJ093300	SNQERRR 	C35H64N18O13	944.4901	NA	PeJP	NA	NA
+PJ093301	PQQKKMW 	C43H68N12O10S	944.4902	NA	PeJP	NA	NA
+PJ093302	PVKEMRW 	C43H68N12O10S	944.4903	NA	PeJP	NA	NA
+PJ093303	AALLWWW 	C51H64N10O8	944.4909	NA	PeJP	NA	NA
+PJ093304	SSPLKEER 	C39H68N12O15	944.4927	NA	PeJP	NA	NA
+PJ093305	AALKEEER 	C39H68N12O15	944.4928	NA	PeJP	NA	NA
+PJ093306	SPPVKMMR 	C40H72N12O10S2	944.4936	NA	PeJP	NA	NA
+PJ093307	GNKERRW 	C40H64N16O11	944.4941	NA	PeJP	NA	NA
+PJ093308	PVVKMWW 	C48H68N10O8S	944.4943	NA	PeJP	NA	NA
+PJ093309	LLQKEEW 	C44H68N10O13	944.4968	NA	PeJP	NA	NA
+PJ093310	VQQQMRR 	C37H68N16O11S	944.4974	NA	PeJP	NA	NA
+PJ093311	PTEMRRR 	C37H68N16O11S	944.4975	NA	PeJP	NA	NA
+MJ098363	12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Galactopyranoside-(1?2)-?-D-glucuronopyranoside], 21-O-?-D-xylopyranoside 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098364	12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-O-?-L-arabinopyranoside 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098365	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Xylopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098366	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Apiofuranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098367	2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098368	3,16,23,28-Tetrahydroxy-11,13(18)-oleanadien-29-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-fucopyranoside], 29-D-ribit-1-yl ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098369	3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098370	3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098371	3,20,23-Trihydroxy-29-nor-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098372	3,20,23-Trihydroxy-30-nor-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098373	3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C47H76O19	944.49808	NA	MeJP	NA	NA
+MJ098374	?-Ilexanolic acid; 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-?-D-glucopyranosyl ester 	C47H76O19	944.49808	NA	MeJP	NA	NA
+PJ093312	LERRWW 	C45H64N14O9	944.4981	NA	PeJP	NA	NA
+PJ093313	SPLLQKEM 	C41H72N10O13S	944.5001	NA	PeJP	NA	NA
+PJ093314	APLKKEEM 	C41H72N10O13S	944.5002	NA	PeJP	NA	NA
+PJ093315	PVLKYYY 	C49H68N8O11	944.5008	NA	PeJP	NA	NA
+PJ093316	SPLMRRW 	C42H68N14O9S	944.5015	NA	PeJP	NA	NA
+PJ093317	VLRWWW 	C50H64N12O7	944.5021	NA	PeJP	NA	NA
+PJ093318	VKEEERR 	C38H68N14O14	944.504	NA	PeJP	NA	NA
+PJ093319	PPVLLEMF 	C46H72N8O11S	944.5042	NA	PeJP	NA	NA
+PJ093320	AAPLMMRR 	C39H72N14O9S2	944.5049	NA	PeJP	NA	NA
+PJ093321	GSQRRRW 	C39H64N18O10	944.5053	NA	PeJP	NA	NA
+PJ093322	SLLLLEEE 	C42H72N8O16	944.5067	NA	PeJP	NA	NA
+PJ093323	PVLLLEMM 	C43H76N8O11S2	944.5075	NA	PeJP	NA	NA
+PJ093324	VVKEERW 	C43H68N12O12	944.508	NA	PeJP	NA	NA
+PJ093325	AQQMRRR 	C36H68N18O10S	944.5087	NA	PeJP	NA	NA
+PJ093326	NKRRWW 	C44H64N16O8	944.5093	NA	PeJP	NA	NA
+PJ093327	GGKRRWW 	C44H64N16O8	944.5094	NA	PeJP	NA	NA
+PJ093328	APTLKEMR 	C40H72N12O12S	944.5114	NA	PeJP	NA	NA
+PJ093329	ALLKEWW 	C48H68N10O10	944.512	NA	PeJP	NA	NA
+PJ093330	AKMHFRR 	C41H68N16O8S	944.5127	NA	PeJP	NA	NA
+MJ098375	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H76O16	944.513336	NA	MeJP	NA	NA
+PJ093331	SLEERRR 	C37H68N16O13	944.5152	NA	PeJP	NA	NA
+PJ093332	GPTLLKMW 	C45H72N10O10S	944.5154	NA	PeJP	NA	NA
+PJ093333	PVMMRRR 	C38H72N16O8S2	944.5161	NA	PeJP	NA	NA
+PJ093334	SPHHRRR 	C38H64N20O9	944.5166	NA	PeJP	NA	NA
+PJ093335	GLLKKEEE 	C41H72N10O15	944.5179	NA	PeJP	NA	NA
+PJ093336	PPTLKKMM 	C42H76N10O10S2	944.5188	NA	PeJP	NA	NA
+PJ093337	SVLERRW 	C42H68N14O11	944.5192	NA	PeJP	NA	NA
+PJ093338	GAAKKERW 	C42H68N14O11	944.5193	NA	PeJP	NA	NA
+PJ093339	LLKMFFF 	C50H72N8O8S	944.5194	NA	PeJP	NA	NA
+PJ093340	GNMRRRR 	C35H68N20O9S	944.5199	NA	PeJP	NA	NA
+MJ098376	Variapeptin 	C46H72N8O13	944.521884	NA	MeJP	NA	NA
+PJ093341	PPTLLLEY 	C46H72N8O13	944.5219	NA	PeJP	NA	NA
+PJ093342	LLQEMRR 	C39H72N14O11S	944.5226	NA	PeJP	NA	NA
+PJ093343	ATLLRWW 	C47H68N12O9	944.5233	NA	PeJP	NA	NA
+PJ093344	VVLLLEEM 	C43H76N8O13S	944.5253	NA	PeJP	NA	NA
+PJ093345	TTQQRRR 	C36H68N18O12	944.5264	NA	PeJP	NA	NA
+PJ093346	SNKERRR 	C36H68N18O12	944.5265	NA	PeJP	NA	NA
+PJ093347	VLLQMRW 	C44H72N12O9S	944.5266	NA	PeJP	NA	NA
+PJ093348	GTLLKEER 	C40H72N12O14	944.5291	NA	PeJP	NA	NA
+PJ093349	GGALDKKKE 	C40H72N12O14	944.5292	NA	PeJP	NA	NA
+PJ093350	GPLLKMMR 	C41H76N12O9S2	944.53	NA	PeJP	NA	NA
+PJ093351	GDKKRRW 	C41H68N16O10	944.5305	NA	PeJP	NA	NA
+PJ093352	ATTLLLQW 	C45H72N10O12	944.5331	NA	PeJP	NA	NA
+PJ093353	LLKKEEW 	C45H72N10O12	944.5332	NA	PeJP	NA	NA
+PJ093354	VQQKMRR 	C38H72N16O10S	944.5338	NA	PeJP	NA	NA
+PJ093355	VVEMRRR 	C38H72N16O10S	944.5339	NA	PeJP	NA	NA
+MJ098377	12,24:20,24-Diepoxydammarane-3,23,25-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl]-(1?3)-?-D-glucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098378	12-Oleanene-3,11,16,23,28-pentol, 11-Me ether, 3-O-[?-D-xylopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098379	12-Oleanene-3,11,16,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098380	12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098381	12-Oleanene-3,22,28-triol, 3-O[?-D-Galactofuranosyl(1?2)-O-[?-D-galactofuranosyl(1?4)]-?-D-mannopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098382	13,28-Epoxy-3,16,23-oleananetriol, 3-O-[?-D-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098383	23,25-Dammaradiene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098384	3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-[?-D-Glucopyranosyl(1?6)-?-D-glucopyranosyl(1?2)-6-deoxy-D-guloside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098385	3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-?-L-Rhamnopyranosyl(1?2)-?-D-glucopyranosyl, 25-O-?-D-glucopyranosyl 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098386	Cucurbita-5,24-diene-3,11,26-triol, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098387	Cucurbita-5,24-diene-3,11,26-triol, 26-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098388	Cucurbita-5,24-diene-3,11,26-triol, 26-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 3-O-?-D-glucopyranoside 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098389	Cucurbita-5,24-diene-3,11,26-triol, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098390	Cucurbita-5,24-diene-3,11,26-triol, 3-O-?-D-Glucopyranoside, 26-O-sophoroside 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098391	Dammar-24-ene-3,19,20-triol, 19-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H80O18	944.534465	NA	MeJP	NA	NA
+MJ098392	Pregn-6-ene-3,17,20-triol, 3-O-[6-Deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-xylohexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-xylohexopyranoside] 	C48H80O18	944.534465	NA	MeJP	NA	NA
+C08792	Carnosifloside VI	C48H80O18	944.5345	NA	KEGG	NA	NA
+PJ093356	AAKKRWW 	C46H68N14O8	944.5345	NA	PeJP	NA	NA
+PJ093357	SPLLKKEM 	C42H76N10O12S	944.5365	NA	PeJP	NA	NA
+PJ093358	VLLKFYY 	C50H72N8O10	944.5372	NA	PeJP	NA	NA
+PJ093359	SSQRRRR 	C35H68N20O11	944.5377	NA	PeJP	NA	NA
+PJ093360	ALLMRRW 	C43H72N14O8S	944.5379	NA	PeJP	NA	NA
+HMDB09927	PIP(16:0/20:1(11Z))	C45H86O16P2	944.539124	NA	HMDB2010	NA	NA
+HMDB09949	PIP(18:0/18:1(11Z))	C45H86O16P2	944.539124	NA	HMDB2010	NA	NA
+HMDB09950	PIP(18:0/18:1(9Z))	C45H86O16P2	944.539124	NA	HMDB2010	NA	NA
+HMDB09960	PIP(18:1(11Z)/18:0)	C45H86O16P2	944.539124	NA	HMDB2010	NA	NA
+HMDB09972	PIP(18:1(9Z)/18:0)	C45H86O16P2	944.539124	NA	HMDB2010	NA	NA
+HMDB09998	PIP(20:1(11Z)/16:0)	C45H86O16P2	944.539124	NA	HMDB2010	NA	NA
+MJ098393	Cephalostatin 13; 1'-Deoxy 	C54H76N2O12	944.539825	NA	MeJP	NA	NA
+PJ093361	GTTLLERR 	C39H72N14O13	944.5404	NA	PeJP	NA	NA
+PJ093362	PPVLLLMY 	C47H76N8O10S	944.5406	NA	PeJP	NA	NA
+PJ093363	GSKRRRW 	C40H68N18O9	944.5417	NA	PeJP	NA	NA
+PJ093364	TLLKERW 	C44H72N12O11	944.5444	NA	PeJP	NA	NA
+PJ093365	AQKMRRR 	C37H72N18O9S	944.5451	NA	PeJP	NA	NA
+PJ093366	GVLLKEMR 	C41H76N12O11S	944.5478	NA	PeJP	NA	NA
+PJ093367	SLLLKWW 	C49H72N10O9	944.5484	NA	PeJP	NA	NA
+PJ093368	TQKKERR 	C38H72N16O12	944.5516	NA	PeJP	NA	NA
+PJ093369	AALLLKMW 	C46H76N10O9S	944.5518	NA	PeJP	NA	NA
+PJ093370	ALHHRRR 	C39H68N20O8	944.5529	NA	PeJP	NA	NA
+PJ093371	SVLLKKEE 	C42H76N10O14	944.5543	NA	PeJP	NA	NA
+PJ093372	PVVLKKMM 	C43H80N10O9S2	944.5552	NA	PeJP	NA	NA
+PJ093373	TTLLRRW 	C43H72N14O10	944.5556	NA	PeJP	NA	NA
+PJ093374	ACKRRRR 	C36H72N20O8S	944.5563	NA	PeJP	NA	NA
+PJ093375	PVVLLLEY 	C47H76N8O12	944.5583	NA	PeJP	NA	NA
+PJ093376	LLKEMRR 	C40H76N14O10S	944.559	NA	PeJP	NA	NA
+PJ093377	AVKKKWW 	C48H72N12O8	944.5596	NA	PeJP	NA	NA
+PJ093378	GLKKKWW 	C48H72N12O8	944.5597	NA	PeJP	NA	NA
+PJ093379	TLLLLLEM 	C44H80N8O12S	944.5617	NA	PeJP	NA	NA
+PJ093380	SDKKRRR 	C37H72N18O11	944.5628	NA	PeJP	NA	NA
+PJ093381	VLLKMRW 	C45H76N12O8S	944.563	NA	PeJP	NA	NA
+PJ093382	SSLLLKER 	C41H76N12O13	944.5655	NA	PeJP	NA	NA
+PJ093383	ATKKRRW 	C42H72N16O9	944.5669	NA	PeJP	NA	NA
+PJ093384	ATTLLLKW 	C46H76N10O11	944.5695	NA	PeJP	NA	NA
+MJ098394	Antibiotic LI-F; Antibiotic LI-F07B 	C46H76N10O11	944.569503	NA	MeJP	NA	NA
+PJ093385	GAAPLLLKY 	C46H76N10O11	944.5696	NA	PeJP	NA	NA
+PJ093386	TLLMRRR 	C39H76N16O9S	944.5702	NA	PeJP	NA	NA
+MJ098395	Antibiotic A 204A 	C49H84O17	944.570851	NA	MeJP	NA	NA
+MJ098396	Martinomycin 	C49H84O17	944.570851	NA	MeJP	NA	NA
+MJ098397	Septamycin; 27S-Methoxy 	C49H84O17	944.570851	NA	MeJP	NA	NA
+PJ093387	ALLLKKEM 	C43H80N10O11S	944.5729	NA	PeJP	NA	NA
+PJ093388	PPVLLLFF 	C51H76N8O9	944.5736	NA	PeJP	NA	NA
+PJ093389	SSKRRRR 	C36H72N20O10	944.5741	NA	PeJP	NA	NA
+PJ093390	SSTLLLRR 	C40H76N14O12	944.5768	NA	PeJP	NA	NA
+PJ093391	PVLLLLMF 	C48H80N8O9S	944.5769	NA	PeJP	NA	NA
+PJ093392	VLKHHRR 	C41H72N18O8	944.5781	NA	PeJP	NA	NA
+MJ098398	7,8-Dihydroisoxuxuarine E? 	C60H80O9	944.580234	NA	MeJP	NA	NA
+PJ093393	VLLLLLMM 	C45H84N8O9S2	944.5803	NA	PeJP	NA	NA
+PJ093394	VKKKKEW 	C45H76N12O10	944.5808	NA	PeJP	NA	NA
+PJ093395	AKKMRRR 	C38H76N18O8S	944.5815	NA	PeJP	NA	NA
+MJ098399	Antibiotic SF 2748; Antibiotic SF 2748C1 	C48H84N2O16	944.582084	NA	MeJP	NA	NA
+PJ093396	ATLLLKMR 	C42H80N12O10S	944.5842	NA	PeJP	NA	NA
+PJ093397	TKKKERR 	C39H76N16O11	944.588	NA	PeJP	NA	NA
+PJ093398	TTLLLKKE 	C43H80N10O13	944.5907	NA	PeJP	NA	NA
+PJ093399	SLKKKRW 	C44H76N14O9	944.592	NA	PeJP	NA	NA
+PJ093400	PTLLLLLY 	C48H80N8O11	944.5947	NA	PeJP	NA	NA
+PJ093401	AALKKKMR 	C41H80N14O9S	944.5954	NA	PeJP	NA	NA
+PJ093402	TTKKRRR 	C38H76N18O10	944.5992	NA	PeJP	NA	NA
+PJ093403	TTTLLLKR 	C42H80N12O12	944.6019	NA	PeJP	NA	NA
+PJ093404	VVLFRRR 	C43H76N16O8	944.6032	NA	PeJP	NA	NA
+PJ093405	APLLLKKY 	C47H80N10O10	944.6059	NA	PeJP	NA	NA
+PJ093406	VKKKMRR 	C40H80N16O8S	944.6066	NA	PeJP	NA	NA
+PJ093407	SLLLLKKM 	C44H84N10O10S	944.6093	NA	PeJP	NA	NA
+PJ093408	ATTLKKKR 	C41H80N14O11	944.6131	NA	PeJP	NA	NA
+PJ093409	GGATKKKKK 	C41H80N14O11	944.6132	NA	PeJP	NA	NA
+PJ093410	GVLLLKFR 	C46H80N12O9	944.6172	NA	PeJP	NA	NA
+PJ093411	GLLKKKKM 	C43H84N12O9S	944.6205	NA	PeJP	NA	NA
+PJ093412	LLLKFRR 	C45H80N14O8	944.6284	NA	PeJP	NA	NA
+PJ093413	VVLLLLLY 	C49H84N8O10	944.6311	NA	PeJP	NA	NA
+PJ093414	STLLKKKK 	C43H84N12O11	944.6383	NA	PeJP	NA	NA
+PJ093415	ALLLLKKF 	C48H84N10O9	944.6423	NA	PeJP	NA	NA
+MJ098400	1,2-Di-O-acylglycerols; Glycerol 2-(9Z,12Z-octadecadienoate) 1-octadecanoate, 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C51H92O15	944.643622	NA	MeJP	NA	NA
+PJ093416	GTKKKKKK 	C42H84N14O10	944.6495	NA	PeJP	NA	NA
+HMDB05400	TG(18:0/20:0/20:1(11Z))[iso6]	C61H116O6	944.877197	NA	HMDB2010	NA	NA
+HMDB05449	TG(18:1(9Z)/20:0/20:0)[iso3]	C61H116O6	944.877197	NA	HMDB2010	NA	NA
+HMDB05400	TG(18:0/20:0/20:1(11Z))[iso6]	C61H116O6	944.8772	http://www.hmdb.ca/metabolites/HMDB05400	HMDB	NA	NA
+HMDB05449	TG(18:1(9Z)/20:0/20:0)[iso3]	C61H116O6	944.8772	http://www.hmdb.ca/metabolites/HMDB05449	HMDB	NA	NA
+HMDB05400	TG(18:0/20:0/20:1(11Z))[iso6]	C61H116O6	944.8772	HMDB05400	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05449	TG(18:1(9Z)/20:0/20:0)[iso3]	C61H116O6	944.8772	HMDB05449	PFEM_hmdb_metabocards_official	NA	NA
+PJ093417	CCCCCCCCC 	C27H47N9O10S9	945.0933	NA	PeJP	NA	NA
+MJ098401	Racophorus Pentapteridinyl skin pigment 	C35H15N25O10	945.143371	NA	MeJP	NA	NA
+PJ093418	GCCCCCCDH 	C30H47N11O12S6	945.173	NA	PeJP	NA	NA
+FL7AAGGL0025	Dimalonylawobanin	C42H41O25	945.19369	128508-49-6	knapsack	NA	NA
+PJ093419	PPCCCCCCD 	C32H51N9O12S6	945.1982	NA	PeJP	NA	NA
+PJ093420	GCCCCNNDD 	C30H47N11O16S4	945.2086	NA	PeJP	NA	NA
+PJ093421	GSCCCCCMH 	C31H51N11O11S6	945.2094	NA	PeJP	NA	NA
+MetaCyc04338	3-(4-methylpent-3-en-1-yl)-pent-2-enedioyl-CoA []	C32H50N7O18P3S1	945.214588	NA	metacyc	NA	NA
+PJ093422	GSCCCDDDE 	C31H47N9O19S3	945.2151	NA	PeJP	NA	NA
+PJ093423	APCCCCCDE 	C32H51N9O14S5	945.2159	NA	PeJP	NA	NA
+PJ093424	GPCCCCDDM 	C32H51N9O14S5	945.216	NA	PeJP	NA	NA
+PJ093425	SSTCCCCCH 	C31H51N11O13S5	945.2272	NA	PeJP	NA	NA
+PJ093426	SCCCDDDW 	C35H47N9O16S3	945.2303	NA	PeJP	NA	NA
+PJ093427	PCCCCCEW 	C36H51N9O11S5	945.2312	NA	PeJP	NA	NA
+PJ093428	SSSCCDDDD 	C31H47N9O21S2	945.2328	NA	PeJP	NA	NA
+PJ093429	CCNDDDMM 	C32H51N9O16S4	945.2337	NA	PeJP	NA	NA
+PJ093430	SPPCCCCCM 	C33H55N9O11S6	945.2346	NA	PeJP	NA	NA
+PJ093431	CCCCCQHF 	C35H51N11O10S5	945.2424	NA	PeJP	NA	NA
+PJ093432	CCCCDDER 	C31H51N11O15S4	945.2449	NA	PeJP	NA	NA
+PJ093433	GGGGGSCCCDM 	C31H51N11O15S4	945.245	NA	PeJP	NA	NA
+PJ093434	CCNDDDDF 	C35H47N9O18S2	945.2481	NA	PeJP	NA	NA
+PJ093435	GCCCDEMW 	C36H51N9O13S4	945.249	NA	PeJP	NA	NA
+MJ098402	cis,cis-3,6-Dodecadienoyl-CoA 	C33H54N7O17P3S	945.250973	NA	MeJP	NA	NA
+HMDB03952	cis,cis-3,6-Dodecadienoyl-CoA	C33H54N7O17P3S	945.250977	NA	HMDB2010	NA	NA
+HMDB11123	trans,cis-Lauro-2,6-dienoyl-CoA	C33H54N7O17P3S	945.250977	NA	HMDB2010	NA	NA
+C05279	trans,cis-Lauro-2,6-dienoyl-CoA	C33H54N7O17P3S	945.251	NA	KEGG	NA	NA
+C05280	cis,cis-3,6-Dodecadienoyl-CoA	C33H54N7O17P3S	945.251	NA	KEGG	NA	NA
+PJ093436	GSSCCDDEM 	C32H51N9O18S3	945.2515	NA	PeJP	NA	NA
+PJ093437	GSPCCCDMM 	C33H55N9O13S5	945.2523	NA	PeJP	NA	NA
+PJ093438	CCCNDDHH 	C33H47N13O14S3	945.2528	NA	PeJP	NA	NA
+PJ093439	SCCCCNQW 	C35H51N11O12S4	945.2602	NA	PeJP	NA	NA
+PJ093440	SSSCCCNNE 	C31H51N11O17S3	945.2627	NA	PeJP	NA	NA
+PJ093441	CCCNNQMM 	C32H55N11O12S5	945.2636	NA	PeJP	NA	NA
+PJ093442	CCCDMWW 	C40H51N9O10S4	945.2642	NA	PeJP	NA	NA
+PJ093443	SCNDDDDY 	C35H47N9O20S	945.2658	NA	PeJP	NA	NA
+PJ093444	GGSCDDDDY 	C35H47N9O20S	945.2659	NA	PeJP	NA	NA
+PJ093445	SSCCDDMW 	C36H51N9O15S3	945.2667	NA	PeJP	NA	NA
+PJ093446	PTCCCCMW 	C37H55N9O10S5	945.2676	NA	PeJP	NA	NA
+PJ093447	SSSSCDDDM 	C32H51N9O20S2	945.2692	NA	PeJP	NA	NA
+PJ093448	SCNDDMMM 	C33H55N9O15S4	945.2701	NA	PeJP	NA	NA
+PJ093449	CCCEYYY 	C41H51N7O13S3	945.2707	NA	PeJP	NA	NA
+PJ093450	PCCCQMMM 	C34H59N9O10S6	945.271	NA	PeJP	NA	NA
+PJ093451	GSPCCCCHH 	C34H51N13O11S4	945.2714	NA	PeJP	NA	NA
+PJ093452	CCCCNNMR 	C31H55N13O11S5	945.2748	NA	PeJP	NA	NA
+PJ093453	GSSSCCCNW 	C35H51N11O14S3	945.2779	NA	PeJP	NA	NA
+PJ093454	GGGSSSCCCW 	C35H51N11O14S3	945.278	NA	PeJP	NA	NA
+PJ093455	CCCCCKHF 	C36H55N11O9S5	945.2788	NA	PeJP	NA	NA
+PJ093456	GSSSSSCCND 	C31H51N11O19S2	945.2804	NA	PeJP	NA	NA
+PJ093457	GGGSSSSSCCD 	C31H51N11O19S2	945.2805	NA	PeJP	NA	NA
+PJ093458	SCCCDEMR 	C32H55N11O14S4	945.2813	NA	PeJP	NA	NA
+PJ093459	GPCCCDYW 	C40H51N9O12S3	945.282	NA	PeJP	NA	NA
+PJ093460	PCCCCMMR 	C33H59N11O9S6	945.2822	NA	PeJP	NA	NA
+PJ093461	GCNDDEMY 	C36H51N9O17S2	945.2845	NA	PeJP	NA	NA
+PJ093462	GSCCEMMW 	C37H55N9O12S4	945.2853	NA	PeJP	NA	NA
+PJ093463	GGPCCCEMF 	C37H55N9O12S4	945.2854	NA	PeJP	NA	NA
+PJ093464	GSSSCDEMM 	C33H55N9O17S3	945.2878	NA	PeJP	NA	NA
+PJ093465	CNNNDDDH 	C33H47N13O18S	945.2883	NA	PeJP	NA	NA
+PJ093466	GCNEMMMM 	C34H59N9O12S5	945.2887	NA	PeJP	NA	NA
+PJ093467	SCCNDMHH 	C34H51N13O13S3	945.2892	NA	PeJP	NA	NA
+PJ093468	ASSCCCCNR 	C31H55N13O13S4	945.2925	NA	PeJP	NA	NA
+PJ093469	GSSCCCCQR 	C31H55N13O13S4	945.2926	NA	PeJP	NA	NA
+PJ093470	GCCCNNFW 	C39H51N11O11S3	945.2932	NA	PeJP	NA	NA
+PJ093471	SNDDDDEH 	C34H47N11O21	945.2948	NA	PeJP	NA	NA
+PJ093472	GGSDDDDEH 	C34H47N11O21	945.2949	NA	PeJP	NA	NA
+PJ093473	GCCDDDRY 	C35H51N11O16S2	945.2957	NA	PeJP	NA	NA
+PJ093474	SCCCCNKW 	C36H55N11O11S4	945.2966	NA	PeJP	NA	NA
+PJ093475	SSSSCCNQM 	C32H55N11O16S3	945.2991	NA	PeJP	NA	NA
+PJ093476	CNDDMYW 	C40H51N9O14S2	945.2997	NA	PeJP	NA	NA
+PJ093477	CCCNNKMM 	C33H59N11O11S5	945.2999	NA	PeJP	NA	NA
+PJ093478	GCCDMMMR 	C33H59N11O11S5	945.3	NA	PeJP	NA	NA
+PJ093479	SCCMMWW 	C41H55N9O9S4	945.3006	NA	PeJP	NA	NA
+PJ093480	SSNDDDMY 	C36H51N9O19S	945.3022	NA	PeJP	NA	NA
+PJ093481	SSSCDMMW 	C37H55N9O14S3	945.3031	NA	PeJP	NA	NA
+PJ093482	CNMMMMW 	C38H59N9O9S5	945.304	NA	PeJP	NA	NA
+PJ093483	GTCCCHHW 	C38H51N13O10S3	945.3044	NA	PeJP	NA	NA
+MJ098403	Perdeacylhypoglaunine; 2,6-Dibenzoyl, 1,8,9,14-tetra-Ac 	C48H51NO19	945.305528	NA	MeJP	NA	NA
+PJ093484	SSSSSDDMM 	C33H55N9O19S2	945.3056	NA	PeJP	NA	NA
+PJ093485	SSNDMMMM 	C34H59N9O14S4	945.3065	NA	PeJP	NA	NA
+PJ093486	GSSSCCEHH 	C34H51N13O15S2	945.3069	NA	PeJP	NA	NA
+PJ093487	GGGSPCCNDH 	C34H51N13O15S2	945.307	NA	PeJP	NA	NA
+PJ093488	TCCMYYY 	C42H55N7O12S3	945.3071	NA	PeJP	NA	NA
+PJ093489	PCCCKMMM 	C35H63N9O9S6	945.3073	NA	PeJP	NA	NA
+PJ093490	GCCQMMHH 	C35H55N13O10S4	945.3078	NA	PeJP	NA	NA
+PJ093491	DEEEMMY 	C38H55N7O17S2	945.3096	NA	PeJP	NA	NA
+PJ093492	GSDDDDHW 	C38H47N11O18	945.3101	NA	PeJP	NA	NA
+PJ093493	SSSSCCCNR 	C31H55N13O15S3	945.3103	NA	PeJP	NA	NA
+PJ093494	GSCCNNYW 	C39H51N11O13S2	945.311	NA	PeJP	NA	NA
+PJ093495	CCCCCQKR 	C32H59N13O10S5	945.3112	NA	PeJP	NA	NA
+PJ093496	GSSSCNNDY 	C35H51N11O18S	945.3135	NA	PeJP	NA	NA
+PJ093497	SPCCCDRY 	C36H55N11O13S3	945.3143	NA	PeJP	NA	NA
+PJ093498	GGGGGGGCMMY 	C36H55N11O13S3	945.3144	NA	PeJP	NA	NA
+PJ093499	GCCEYWW 	C44H51N9O11S2	945.315	NA	PeJP	NA	NA
+PJ093500	GSSSSSSCNM 	C32H55N11O18S2	945.3168	NA	PeJP	NA	NA
+PJ093501	GSSCDEYW 	C40H51N9O16S	945.3175	NA	PeJP	NA	NA
+PJ093502	SSCCEMMR 	C33H59N11O13S4	945.3177	NA	PeJP	NA	NA
+PJ093503	CCNNNNQH 	C33H51N15O14S2	945.3182	NA	PeJP	NA	NA
+PJ093504	CNDMMFW 	C41H55N9O11S3	945.3183	NA	PeJP	NA	NA
+PJ093505	GSPCCMYW 	C41H55N9O11S3	945.3184	NA	PeJP	NA	NA
+PJ093506	GCCCMHHR 	C34H55N15O9S4	945.3191	NA	PeJP	NA	NA
+PJ093507	GSSSSDDEY 	C36H51N9O21	945.32	NA	PeJP	NA	NA
+PJ093508	GSNDEMMY 	C37H55N9O16S2	945.3209	NA	PeJP	NA	NA
+PJ093509	GCDYYYY 	C45H51N7O14S	945.3215	NA	PeJP	NA	NA
+PJ093510	GSTCMMMW 	C38H59N9O11S4	945.3217	NA	PeJP	NA	NA
+PJ093511	SSSCCHHW 	C38H51N13O12S2	945.3222	NA	PeJP	NA	NA
+PJ093512	DDEEEFY 	C41H51N7O19	945.324	NA	PeJP	NA	NA
+PJ093513	GSSSSEMMM 	C34H59N9O16S3	945.3242	NA	PeJP	NA	NA
+PJ093514	GCDDDEHR 	C34H51N13O17S	945.3247	NA	PeJP	NA	NA
+PJ093515	GSQMMMMM 	C35H63N9O11S5	945.3251	NA	PeJP	NA	NA
+PJ093516	GCCCNQRY 	C35H55N13O12S3	945.3256	NA	PeJP	NA	NA
+PJ093517	PCCDHWW 	C43H51N11O10S2	945.3262	NA	PeJP	NA	NA
+MJ098404	Triptonine A 	C45H55NO21	945.326657	NA	MeJP	NA	NA
+PJ093518	EEEMMMF 	C39H59N7O14S3	945.3283	NA	PeJP	NA	NA
+PJ093519	NDDEMHW 	C39H51N11O15S	945.3287	NA	PeJP	NA	NA
+PJ093520	GSSCCCCKR 	C32H59N13O12S4	945.3289	NA	PeJP	NA	NA
+PJ093521	CCCEFRW 	C40H55N11O10S3	945.3296	NA	PeJP	NA	NA
+PJ093522	CCYWWW 	C48H51N9O8S2	945.3302	NA	PeJP	NA	NA
+PJ093523	SSNDEEEH 	C35H51N11O20	945.3312	NA	PeJP	NA	NA
+PJ093524	GGGGGGPDDEE 	C35H51N11O20	945.3313	NA	PeJP	NA	NA
+PJ093525	GSCDDMRY 	C36H55N11O15S2	945.3321	NA	PeJP	NA	NA
+PJ093526	GNDDDHHH 	C36H47N15O16	945.3326	NA	PeJP	NA	NA
+PJ093527	SSCDYWW 	C44H51N9O13S	945.3327	NA	PeJP	NA	NA
+PJ093528	GGCDDFFW 	C44H51N9O13S	945.3328	NA	PeJP	NA	NA
+PJ093529	APCCCMRY 	C37H59N11O10S4	945.333	NA	PeJP	NA	NA
+PJ093530	ACCMFWW 	C45H55N9O8S3	945.3336	NA	PeJP	NA	NA
+PJ093531	SSSSSSSSCQ 	C32H55N11O20S	945.3346	NA	PeJP	NA	NA
+PJ093532	SSSSDDYW 	C40H51N9O18	945.3352	NA	PeJP	NA	NA
+PJ093533	SPPDDDDW 	C40H51N9O18	945.3353	NA	PeJP	NA	NA
+PJ093534	SSSSCCNKM 	C33H59N11O15S3	945.3355	NA	PeJP	NA	NA
+PJ093535	GSSCNNNNH 	C33H51N15O16S	945.3359	NA	PeJP	NA	NA
+PJ093536	GGGGGGGSSCNH 	C33H51N15O16S	945.336	NA	PeJP	NA	NA
+PJ093537	SNDMMYW 	C41H55N9O13S2	945.3361	NA	PeJP	NA	NA
+PJ093538	GSCMMMMR 	C34H63N11O10S5	945.3363	NA	PeJP	NA	NA
+PJ093539	STCCCHHR 	C34H55N15O11S3	945.3368	NA	PeJP	NA	NA
+PJ093540	CMMMHFF 	C42H59N9O8S4	945.337	NA	PeJP	NA	NA
+PJ093541	CCNHHFW 	C42H51N13O9S2	945.3374	NA	PeJP	NA	NA
+PJ093542	GGCCHHFW 	C42H51N13O9S2	945.3375	NA	PeJP	NA	NA
+PJ093543	SSSNEEMY 	C37H55N9O18S	945.3386	NA	PeJP	NA	NA
+PJ093544	SSSSMMMW 	C38H59N9O13S3	945.3395	NA	PeJP	NA	NA
+PJ093545	CDDDHRW 	C38H51N13O14S	945.34	NA	PeJP	NA	NA
+PJ093546	GCMFYYY 	C46H55N7O11S2	945.3401	NA	PeJP	NA	NA
+PJ093547	SSSSSTEMM 	C34H59N9O18S2	945.342	NA	PeJP	NA	NA
+PJ093548	SSDDDDHR 	C34H51N13O19	945.3425	NA	PeJP	NA	NA
+PJ093549	PDEEMYY 	C42H55N7O16S	945.3426	NA	PeJP	NA	NA
+PJ093550	SSTQMMMM 	C35H63N9O13S4	945.3428	NA	PeJP	NA	NA
+PJ093551	GGSTTMMMM 	C35H63N9O13S4	945.3429	NA	PeJP	NA	NA
+PJ093552	SSCCNNRY 	C35H55N13O14S2	945.3433	NA	PeJP	NA	NA
+PJ093553	GGGGGGGEMMH 	C35H55N13O14S2	945.3434	NA	PeJP	NA	NA
+PJ093554	GDDMHWW 	C43H51N11O12S	945.344	NA	PeJP	NA	NA
+PJ093555	PPCCCMHR 	C36H59N13O9S4	945.3442	NA	PeJP	NA	NA
+PJ093556	GSSDEEHW 	C39H51N11O17	945.3465	NA	PeJP	NA	NA
+PJ093557	SCCERYW 	C40H55N11O12S2	945.3473	NA	PeJP	NA	NA
+PJ093558	GSPCEMHW 	C40H55N11O12S2	945.3474	NA	PeJP	NA	NA
+PJ093559	CCCCCKKR 	C33H63N13O9S5	945.3476	NA	PeJP	NA	NA
+PJ093560	SSSCDERY 	C36H55N11O17S	945.3498	NA	PeJP	NA	NA
+PJ093561	GGGGGSSSSMY 	C36H55N11O17S	945.3499	NA	PeJP	NA	NA
+PJ093562	GNDEYYW 	C44H51N9O15	945.3505	NA	PeJP	NA	NA
+PJ093563	CNEMMRY 	C37H59N11O12S3	945.3507	NA	PeJP	NA	NA
+PJ093564	SPCNDHHH 	C37H51N15O13S	945.3512	NA	PeJP	NA	NA
+PJ093565	GTCMYWW 	C45H55N9O10S2	945.3514	NA	PeJP	NA	NA
+PJ093566	GSSSSSSSSSS 	C32H55N11O22	945.3523	NA	PeJP	NA	NA
+PJ093567	GSSSSSTCCK 	C33H59N11O17S2	945.3532	NA	PeJP	NA	NA
+PJ093568	NNNNNNNE 	C33H51N15O18	945.3537	NA	PeJP	NA	NA
+PJ093569	GSSSEMYW 	C41H55N9O15S	945.3539	NA	PeJP	NA	NA
+PJ093570	SSTCMMMR 	C34H63N11O12S4	945.3541	NA	PeJP	NA	NA
+PJ093571	GCNNDMHR 	C34H55N15O13S2	945.3546	NA	PeJP	NA	NA
+PJ093572	GQMMMYW 	C42H59N9O10S3	945.3547	NA	PeJP	NA	NA
+PJ093573	GGGPCMMFF 	C42H59N9O10S3	945.3548	NA	PeJP	NA	NA
+PJ093574	SCNNHWW 	C42H51N13O11S	945.3552	NA	PeJP	NA	NA
+PJ093575	GSSSSTEEY 	C37H55N9O20	945.3564	NA	PeJP	NA	NA
+PJ093576	GSTQEMMY 	C38H59N9O15S2	945.3572	NA	PeJP	NA	NA
+PJ093577	GSPPPDDMM 	C38H59N9O15S2	945.3573	NA	PeJP	NA	NA
+PJ093578	SSSNNDHW 	C38H51N13O16	945.3577	NA	PeJP	NA	NA
+PJ093579	GSMYYYY 	C46H55N7O13S	945.3579	NA	PeJP	NA	NA
+PJ093580	APCCKMMY 	C39H63N9O10S4	945.3581	NA	PeJP	NA	NA
+PJ093581	NNNMMHW 	C39H55N13O11S2	945.3586	NA	PeJP	NA	NA
+PJ093582	CEHWWW 	C47H51N11O9S	945.3592	NA	PeJP	NA	NA
+PJ093583	VDEEEYY 	C42H55N7O18	945.3604	NA	PeJP	NA	NA
+PJ093584	GSSTTTMMM 	C35H63N9O15S3	945.3606	NA	PeJP	NA	NA
+PJ093585	GSDDEMHR 	C35H55N13O16S	945.3611	NA	PeJP	NA	NA
+PJ093586	PEEMMFY 	C43H59N7O13S2	945.3613	NA	PeJP	NA	NA
+PJ093587	GSKMMMMM 	C36H67N9O10S5	945.3615	NA	PeJP	NA	NA
+PJ093588	SSDEHWW 	C43H51N11O14	945.3617	NA	PeJP	NA	NA
+PJ093589	GGGGPDDWW 	C43H51N11O14	945.3618	NA	PeJP	NA	NA
+PJ093590	CCDMRRY 	C36H59N13O11S3	945.362	NA	PeJP	NA	NA
+PJ093591	GCNNQHHH 	C36H51N17O12S	945.3624	NA	PeJP	NA	NA
+PJ093592	GGGGGGACHHH 	C36H51N17O12S	945.3625	NA	PeJP	NA	NA
+PJ093593	SPCMHWW 	C44H55N11O9S2	945.3626	NA	PeJP	NA	NA
+PJ093594	LEEMMMY 	C40H63N7O13S3	945.3646	NA	PeJP	NA	NA
+PJ093595	SQEEMHW 	C40H55N11O14S	945.3651	NA	PeJP	NA	NA
+PJ093596	NDYYWW 	C48H51N9O12	945.3657	NA	PeJP	NA	NA
+PJ093597	GGDYYWW 	C48H51N9O12	945.3658	NA	PeJP	NA	NA
+PJ093598	GCMMRYW 	C41H59N11O9S3	945.366	NA	PeJP	NA	NA
+PJ093599	CEHHHHF 	C41H51N15O10S	945.3664	NA	PeJP	NA	NA
+MJ098405	Alterobactin B 	C36H55N11O19	945.367568	NA	MeJP	NA	NA
+PJ093600	SSSSSSNQY 	C36H55N11O19	945.3676	NA	PeJP	NA	NA
+PJ093601	GSSDMMRY 	C37H59N11O14S2	945.3685	NA	PeJP	NA	NA
+PJ093602	GNNNNNNW 	C37H51N15O15	945.3689	NA	PeJP	NA	NA
+PJ093603	GGGGGNNNNW 	C37H51N15O15	945.369	NA	PeJP	NA	NA
+PJ093604	SSSMYWW 	C45H55N9O12S	945.3691	NA	PeJP	NA	NA
+PJ093605	CQMMMFR 	C38H63N11O9S4	945.3693	NA	PeJP	NA	NA
+PJ093606	GACMMMFR 	C38H63N11O9S4	945.3694	NA	PeJP	NA	NA
+PJ093607	CCNQHRW 	C38H55N15O10S2	945.3698	NA	PeJP	NA	NA
+PJ093608	SSSSSSSSCK 	C33H59N11O19S	945.371	NA	PeJP	NA	NA
+PJ093609	SSSSTEYW 	C41H55N9O17	945.3716	NA	PeJP	NA	NA
+PJ093610	SSSTCCCKK 	C34H63N11O14S3	945.3718	NA	PeJP	NA	NA
+PJ093611	SSCNNEHR 	C34H55N15O15S	945.3723	NA	PeJP	NA	NA
+PJ093612	GGGGGGGGPCDR 	C34H55N15O15S	945.3724	NA	PeJP	NA	NA
+PJ093613	STQMMYW 	C42H59N9O12S2	945.3725	NA	PeJP	NA	NA
+PJ093614	CCCCKKKM 	C35H67N11O9S5	945.3727	NA	PeJP	NA	NA
+PJ093615	NNNDHFW 	C42H51N13O13	945.373	NA	PeJP	NA	NA
+PJ093616	GCFFFYY 	C50H55N7O10S	945.3731	NA	PeJP	NA	NA
+PJ093617	SSSDKEMY 	C38H59N9O17S	945.375	NA	PeJP	NA	NA
+PJ093618	SSTYYYY 	C46H55N7O15	945.3756	NA	PeJP	NA	NA
+PJ093619	PDEEFFY 	C46H55N7O15	945.3757	NA	PeJP	NA	NA
+PJ093620	NKEMMMY 	C39H63N9O12S3	945.3759	NA	PeJP	NA	NA
+PJ093621	SDDMHRW 	C39H55N13O13S	945.3763	NA	PeJP	NA	NA
+PJ093622	GGGGGSTMHW 	C39H55N13O13S	945.3764	NA	PeJP	NA	NA
+PJ093623	SSSTTTTMM 	C35H63N9O17S2	945.3783	NA	PeJP	NA	NA
+PJ093624	STTTTTTCM 	C35H63N9O17S2	945.3784	NA	PeJP	NA	NA
+PJ093625	SSSDEEHR 	C35H55N13O18	945.3788	NA	PeJP	NA	NA
+PJ093626	GGSPNDDER 	C35H55N13O18	945.3789	NA	PeJP	NA	NA
+PJ093627	VEEEMFY 	C43H59N7O15S	945.379	NA	PeJP	NA	NA
+PJ093628	SSTKMMMM 	C36H67N9O12S4	945.3792	NA	PeJP	NA	NA
+PJ093629	NEEMMHR 	C36H59N13O13S2	945.3797	NA	PeJP	NA	NA
+PJ093630	SSNNNHHH 	C36H51N17O14	945.3802	NA	PeJP	NA	NA
+PJ093631	GTEMHWW 	C44H55N11O11S	945.3804	NA	PeJP	NA	NA
+PJ093632	CCMMFRR 	C37H63N13O8S4	945.3806	NA	PeJP	NA	NA
+PJ093633	GPCCHHHR 	C37H55N17O9S2	945.3811	NA	PeJP	NA	NA
+PJ093634	GSSNQQYY 	C40H55N11O16	945.3828	NA	PeJP	NA	NA
+PJ093635	PDDEERW 	C40H55N11O16	945.3829	NA	PeJP	NA	NA
+PJ093636	STCMRYW 	C41H59N11O11S2	945.3837	NA	PeJP	NA	NA
+PJ093637	GGGGGPPMMW 	C41H59N11O11S2	945.3838	NA	PeJP	NA	NA
+PJ093638	SNEHHHW 	C41H51N15O12	945.3842	NA	PeJP	NA	NA
+PJ093639	NMFYWW 	C49H55N9O9S	945.3844	NA	PeJP	NA	NA
+PJ093640	SSSSEMRY 	C37H59N11O16S	945.3862	NA	PeJP	NA	NA
+PJ093641	GGGGGGPVEEM 	C37H59N11O16S	945.3863	NA	PeJP	NA	NA
+PJ093642	APEEEWW 	C45H55N9O14	945.3869	NA	PeJP	NA	NA
+PJ093643	SQMMMRY 	C38H63N11O11S3	945.3871	NA	PeJP	NA	NA
+PJ093644	GSSCNHRW 	C38H55N15O12S	945.3876	NA	PeJP	NA	NA
+PJ093645	VCNMFFW 	C46H59N9O9S2	945.3877	NA	PeJP	NA	NA
+PJ093646	PCCKFYW 	C46H59N9O9S2	945.3878	NA	PeJP	NA	NA
+PJ093647	GSSSSNDHR 	C34H55N15O17	945.3901	NA	PeJP	NA	NA
+PJ093648	GSTTTMYW 	C42H59N9O14S	945.3902	NA	PeJP	NA	NA
+PJ093649	GPPTEEMW 	C42H59N9O14S	945.3903	NA	PeJP	NA	NA
+PJ093650	QFYYYY 	C50H55N7O12	945.3909	NA	PeJP	NA	NA
+PJ093651	GGGSNMMHR 	C35H59N15O12S2	945.391	NA	PeJP	NA	NA
+PJ093652	GKMMMYW 	C43H63N9O9S3	945.3911	NA	PeJP	NA	NA
+PJ093653	NNMHHFF 	C43H55N13O10S	945.3916	NA	PeJP	NA	NA
+PJ093654	SSSSSSLEY 	C38H59N9O19	945.3927	NA	PeJP	NA	NA
+PJ093655	GPKEEEEE 	C38H59N9O19	945.3928	NA	PeJP	NA	NA
+PJ093656	GSTKEMMY 	C39H63N9O14S2	945.3936	NA	PeJP	NA	NA
+PJ093657	GSPNDDRW 	C39H55N13O15	945.3941	NA	PeJP	NA	NA
+PJ093658	PPEMFYY 	C47H59N7O12S	945.3943	NA	PeJP	NA	NA
+PJ093659	QKMMMMF 	C40H67N9O9S4	945.3945	NA	PeJP	NA	NA
+PJ093660	GEMMHRW 	C40H59N13O10S2	945.395	NA	PeJP	NA	NA
+PJ093661	TMHWWW 	C48H55N11O8S	945.3956	NA	PeJP	NA	NA
+PJ093662	TLEEEYY 	C43H59N7O17	945.3968	NA	PeJP	NA	NA
+PJ093663	GSTEEMHR 	C36H59N13O15S	945.3975	NA	PeJP	NA	NA
+PJ093664	PLEMMYY 	C44H63N7O12S2	945.3976	NA	PeJP	NA	NA
+PJ093665	STTEHWW 	C44H55N11O13	945.3981	NA	PeJP	NA	NA
+PJ093666	SCMMRRY 	C37H63N13O10S3	945.3983	NA	PeJP	NA	NA
+PJ093667	GAPCCCKKH 	C37H63N13O10S3	945.3984	NA	PeJP	NA	NA
+PJ093668	NDMHHHR 	C37H55N17O11S	945.3988	NA	PeJP	NA	NA
+PJ093669	GVMMHWW 	C45H59N11O8S2	945.399	NA	PeJP	NA	NA
+PJ093670	GSHHHWW 	C45H51N15O9	945.3995	NA	PeJP	NA	NA
+PJ093671	SNNNNNNR 	C33H55N17O16	945.4013	NA	PeJP	NA	NA
+PJ093672	GGGGGGGGGGGGSR 	C33H55N17O16	945.4014	NA	PeJP	NA	NA
+PJ093673	SKEEMHW 	C41H59N11O13S	945.4015	NA	PeJP	NA	NA
+PJ093674	TQYYWW 	C49H55N9O11	945.4021	NA	PeJP	NA	NA
+PJ093675	GGGEFFFW 	C49H55N9O11	945.4022	NA	PeJP	NA	NA
+PJ093676	LMMMHHF 	C42H63N11O8S3	945.4024	NA	PeJP	NA	NA
+PJ093677	AQMHHHW 	C42H55N15O9S	945.4028	NA	PeJP	NA	NA
+PJ093678	SSSSSSNKY 	C37H59N11O18	945.404	NA	PeJP	NA	NA
+PJ093679	ASSTMMRY 	C38H63N11O13S2	945.4048	NA	PeJP	NA	NA
+PJ093680	GSTTMMRY 	C38H63N11O13S2	945.4049	NA	PeJP	NA	NA
+PJ093681	NNNNERW 	C38H55N15O14	945.4053	NA	PeJP	NA	NA
+PJ093682	GGGGGGNERW 	C38H55N15O14	945.4054	NA	PeJP	NA	NA
+PJ093683	PPTEMWW 	C46H59N9O11S	945.4055	NA	PeJP	NA	NA
+PJ093684	CKMMMFR 	C39H67N11O8S4	945.4057	NA	PeJP	NA	NA
+PJ093685	CCNKHRW 	C39H59N15O9S2	945.4062	NA	PeJP	NA	NA
+PJ093686	NQHHHHH 	C39H51N19O10	945.4067	NA	PeJP	NA	NA
+PJ093687	SSTTTTYW 	C42H59N9O16	945.408	NA	PeJP	NA	NA
+PJ093688	GPCNDERR 	C35H59N15O14S	945.4087	NA	PeJP	NA	NA
+PJ093689	STKMMYW 	C43H63N9O11S2	945.4089	NA	PeJP	NA	NA
+PJ093690	GNQQQWW 	C43H55N13O12	945.4093	NA	PeJP	NA	NA
+PJ093691	GGGQQQWW 	C43H55N13O12	945.4094	NA	PeJP	NA	NA
+PJ093692	MMHRWW 	C44H59N13O7S2	945.4102	NA	PeJP	NA	NA
+PJ093693	SSTTKEMY 	C39H63N9O16S	945.4114	NA	PeJP	NA	NA
+PJ093694	PVEEFYY 	C47H59N7O14	945.412	NA	PeJP	NA	NA
+PJ093695	DKKMMMY 	C40H67N9O11S3	945.4122	NA	PeJP	NA	NA
+PJ093696	AATKMMMY 	C40H67N9O11S3	945.4123	NA	PeJP	NA	NA
+PJ093697	STEMHRW 	C40H59N13O12S	945.4127	NA	PeJP	NA	NA
+PJ093698	GGGGGGAPCKW 	C40H59N13O12S	945.4128	NA	PeJP	NA	NA
+PJ093699	GSPQWWW 	C48H55N11O10	945.4134	NA	PeJP	NA	NA
+PJ093700	ACHHHRW 	C41H55N17O8S	945.4141	NA	PeJP	NA	NA
+PJ093701	SSTTEEHR 	C36H59N13O17	945.4152	NA	PeJP	NA	NA
+PJ093702	GGGGGVEEER 	C36H59N13O17	945.4153	NA	PeJP	NA	NA
+PJ093703	VLEEMYY 	C44H63N7O14S	945.4154	NA	PeJP	NA	NA
+PJ093704	DKEMMHR 	C37H63N13O12S2	945.4161	NA	PeJP	NA	NA
+PJ093705	GSSEHHHR 	C37H55N17O13	945.4166	NA	PeJP	NA	NA
+PJ093706	SSLMHWW 	C45H59N11O10S	945.4167	NA	PeJP	NA	NA
+PJ093707	GAAPQMWW 	C45H59N11O10S	945.4168	NA	PeJP	NA	NA
+PJ093708	NFFFWW 	C53H55N9O8	945.4174	NA	PeJP	NA	NA
+PJ093709	SSSTLEHW 	C41H59N11O15	945.4192	NA	PeJP	NA	NA
+PJ093710	PTEEERW 	C41H59N11O15	945.4193	NA	PeJP	NA	NA
+PJ093711	SSSCNHRR 	C34H59N17O13S	945.4199	NA	PeJP	NA	NA
+PJ093712	PPEMMRW 	C42H63N11O10S2	945.4201	NA	PeJP	NA	NA
+PJ093713	GNNNRWW 	C42H55N15O11	945.4206	NA	PeJP	NA	NA
+PJ093714	AMHFFFF 	C50H59N9O8S	945.4208	NA	PeJP	NA	NA
+PJ093715	SSTTTMRY 	C38H63N11O15S	945.4226	NA	PeJP	NA	NA
+PJ093716	SPLEEWW 	C46H59N9O13	945.4233	NA	PeJP	NA	NA
+PJ093717	SKMMMRY 	C39H67N11O10S3	945.4235	NA	PeJP	NA	NA
+PJ093718	NNQMHFR 	C39H59N15O11S	945.4239	NA	PeJP	NA	NA
+PJ093719	PCNDRRW 	C39H59N15O11S	945.424	NA	PeJP	NA	NA
+PJ093720	PPVMMWW 	C47H63N9O8S2	945.4241	NA	PeJP	NA	NA
+PJ093721	DHFRWW 	C47H55N13O9	945.4246	NA	PeJP	NA	NA
+PJ093722	ASSSSSQHR 	C35H59N15O16	945.4264	NA	PeJP	NA	NA
+PJ093723	NNEEERR 	C35H59N15O16	945.4265	NA	PeJP	NA	NA
+PJ093724	SSPPLEMW 	C43H63N9O13S	945.4266	NA	PeJP	NA	NA
+PJ093725	AAPLEEMW 	C43H63N9O13S	945.4267	NA	PeJP	NA	NA
+PJ093726	KFYYYY 	C51H59N7O11	945.4273	NA	PeJP	NA	NA
+PJ093727	GPNMRWW 	C44H59N13O9S	945.428	NA	PeJP	NA	NA
+PJ093728	SSSSTTTLY 	C39H63N9O18	945.4291	NA	PeJP	NA	NA
+PJ093729	SPVKEEEE 	C39H63N9O18	945.4292	NA	PeJP	NA	NA
+PJ093730	SSSLKMMY 	C40H67N9O13S2	945.43	NA	PeJP	NA	NA
+PJ093731	AQQEERW 	C40H59N13O14	945.4305	NA	PeJP	NA	NA
+PJ093732	PPLMYYY 	C48H63N7O11S	945.4307	NA	PeJP	NA	NA
+PJ093733	KKMMMMF 	C41H71N9O8S4	945.4309	NA	PeJP	NA	NA
+PJ093734	SVMMHRW 	C41H63N13O9S2	945.4313	NA	PeJP	NA	NA
+PJ093735	TCLMHRW 	C41H63N13O9S2	945.4314	NA	PeJP	NA	NA
+PJ093736	SSHHHRW 	C41H55N17O10	945.4318	NA	PeJP	NA	NA
+PJ093737	SSSLEMHR 	C37H63N13O14S	945.4338	NA	PeJP	NA	NA
+PJ093738	PEEEMRR 	C37H63N13O14S	945.4339	NA	PeJP	NA	NA
+PJ093739	LLEMMFY 	C45H67N7O11S2	945.434	NA	PeJP	NA	NA
+PJ093740	SPNKEWW 	C45H59N11O12	945.4345	NA	PeJP	NA	NA
+PJ093741	LQMMMHR 	C38H67N13O9S3	945.4347	NA	PeJP	NA	NA
+PJ093742	CNNHFRR 	C38H59N17O10S	945.4352	NA	PeJP	NA	NA
+MJ098406	Bifloratoxin 	C48H67NO18	945.435814	NA	MeJP	NA	NA
+PJ093743	NDDDRRR 	C34H59N17O15	945.4377	NA	PeJP	NA	NA
+PJ093744	PVEEMRW 	C42H63N11O12S	945.4379	NA	PeJP	NA	NA
+PJ093745	TKYYWW 	C50H59N9O10	945.4385	NA	PeJP	NA	NA
+PJ093746	GSCCKHRR 	C35H63N17O10S2	945.4386	NA	PeJP	NA	NA
+PJ093747	AKMHHHW 	C43H59N15O8S	945.4392	NA	PeJP	NA	NA
+PJ093748	AALEEEER 	C38H63N11O17	945.4404	NA	PeJP	NA	NA
+PJ093749	SSCCKKKY 	C39H67N11O12S2	945.4412	NA	PeJP	NA	NA
+PJ093750	SPPVEMMR 	C39H67N11O12S2	945.4413	NA	PeJP	NA	NA
+PJ093751	GNEERRW 	C39H59N15O13	945.4417	NA	PeJP	NA	NA
+PJ093752	GGGGGGGGAPFR 	C39H59N15O13	945.4418	NA	PeJP	NA	NA
+PJ093753	PVVEMWW 	C47H63N9O10S	945.4419	NA	PeJP	NA	NA
+PJ093754	PCMHFRR 	C40H63N15O8S2	945.4426	NA	PeJP	NA	NA
+PJ093755	NKHHHHH 	C40H55N19O9	945.4431	NA	PeJP	NA	NA
+PJ093756	LLQEEEW 	C43H63N9O15	945.4444	NA	PeJP	NA	NA
+PJ093757	GSPNEMRR 	C36H63N15O13S	945.4451	NA	PeJP	NA	NA
+PJ093758	APPTLMMW 	C44H67N9O10S2	945.4453	NA	PeJP	NA	NA
+PJ093759	AAQERWW 	C44H59N13O11	945.4457	NA	PeJP	NA	NA
+PJ093760	GGGVERWW 	C44H59N13O11	945.4458	NA	PeJP	NA	NA
+PJ093761	CLMMHRR 	C37H67N15O8S3	945.446	NA	PeJP	NA	NA
+PJ093762	TCHHHRR 	C37H59N19O9S	945.4464	NA	PeJP	NA	NA
+PJ093763	TTTTTKMY 	C40H67N9O15S	945.4478	NA	PeJP	NA	NA
+PJ093764	PVLEYYY 	C48H63N7O13	945.4484	NA	PeJP	NA	NA
+PJ093765	PPVLQMMM 	C41H71N9O10S3	945.4486	NA	PeJP	NA	NA
+PJ093766	GGPPLLMMM 	C41H71N9O10S3	945.4487	NA	PeJP	NA	NA
+PJ093767	PNDKMRW 	C41H63N13O11S	945.4491	NA	PeJP	NA	NA
+PJ093768	GSPKWWW 	C49H59N11O9	945.4498	NA	PeJP	NA	NA
+PJ093769	VEEEERR 	C37H63N13O16	945.4516	NA	PeJP	NA	NA
+PJ093770	GTTLMMHR 	C38H67N13O11S2	945.4525	NA	PeJP	NA	NA
+PJ093771	SNNNRRW 	C38H59N17O12	945.4529	NA	PeJP	NA	NA
+PJ093772	GGSNNRRW 	C38H59N17O12	945.453	NA	PeJP	NA	NA
+PJ093773	APQKMWW 	C46H63N11O9S	945.4531	NA	PeJP	NA	NA
+PJ093774	VVEEERW 	C42H63N11O14	945.4556	NA	PeJP	NA	NA
+PJ093775	GGAALDKEW 	C42H63N11O14	945.4557	NA	PeJP	NA	NA
+PJ093776	GSPCDRRR 	C35H63N17O12S	945.4563	NA	PeJP	NA	NA
+PJ093777	GGGGGGAAMRR 	C35H63N17O12S	945.4564	NA	PeJP	NA	NA
+PJ093778	TLKMMHW 	C43H67N11O9S2	945.4565	NA	PeJP	NA	NA
+PJ093779	NERRWW 	C43H59N15O10	945.457	NA	PeJP	NA	NA
+PJ093780	APTLEEMR 	C39H67N11O14S	945.459	NA	PeJP	NA	NA
+PJ093781	SSLKYYW 	C47H63N9O12	945.4596	NA	PeJP	NA	NA
+PJ093782	ALLEEWW 	C47H63N9O12	945.4597	NA	PeJP	NA	NA
+PJ093783	APPLMMMR 	C40H71N11O9S3	945.4599	NA	PeJP	NA	NA
+PJ093784	SPNMRRW 	C40H63N15O10S	945.4603	NA	PeJP	NA	NA
+PJ093785	GGSPMRRW 	C40H63N15O10S	945.4604	NA	PeJP	NA	NA
+PJ093786	VNRWWW 	C48H59N13O8	945.461	NA	PeJP	NA	NA
+PJ093787	NDKEERR 	C36H63N15O15	945.4628	NA	PeJP	NA	NA
+PJ093788	GGDKEERR 	C36H63N15O15	945.4629	NA	PeJP	NA	NA
+PJ093789	GPTLLEMW 	C44H67N9O12S	945.463	NA	PeJP	NA	NA
+PJ093790	PPLFFYY 	C52H63N7O10	945.4637	NA	PeJP	NA	NA
+PJ093791	APCKRWW 	C45H63N13O8S	945.4644	NA	PeJP	NA	NA
+PJ093792	GLLKEEEE 	C40H67N9O17	945.4655	NA	PeJP	NA	NA
+PJ093793	PPTLKEMM 	C41H71N9O12S2	945.4664	NA	PeJP	NA	NA
+PJ093794	AQKEERW 	C41H63N13O13	945.4669	NA	PeJP	NA	NA
+PJ093795	PLLMFYY 	C49H67N7O10S	945.467	NA	PeJP	NA	NA
+PJ093796	LLEMFFF 	C49H67N7O10S	945.4671	NA	PeJP	NA	NA
+PJ093797	CNNQRRR 	C34H63N19O11S	945.4676	NA	PeJP	NA	NA
+PJ093798	PKMMHFR 	C42H67N13O8S2	945.4677	NA	PeJP	NA	NA
+PJ093799	VNHHHFR 	C42H59N17O9	945.4682	NA	PeJP	NA	NA
+PJ093800	STTTLMHR 	C38H67N13O13S	945.4702	NA	PeJP	NA	NA
+PJ093801	GGAPTKEMR 	C38H67N13O13S	945.4703	NA	PeJP	NA	NA
+PJ093802	LLLMMYY 	C46H71N7O10S2	945.4704	NA	PeJP	NA	NA
+PJ093803	GLQKEWW 	C46H63N11O11	945.4709	NA	PeJP	NA	NA
+PJ093804	LKMMMHR 	C39H71N13O8S3	945.4711	NA	PeJP	NA	NA
+PJ093805	TKMHHHR 	C39H63N17O9S	945.4716	NA	PeJP	NA	NA
+PJ093806	GRRWWW 	C47H59N15O7	945.4722	NA	PeJP	NA	NA
+PJ093807	SNEERRR 	C35H63N17O14	945.4741	NA	PeJP	NA	NA
+PJ093808	SVKMRYY 	C43H67N11O11S	945.4742	NA	PeJP	NA	NA
+PJ093809	PQKKEMW 	C43H67N11O11S	945.4743	NA	PeJP	NA	NA
+PJ093810	PPVVYWW 	C51H63N9O9	945.4749	NA	PeJP	NA	NA
+PJ093811	PCQMRRR 	C36H67N17O9S2	945.475	NA	PeJP	NA	NA
+PJ093812	VTTLQQQE 	C39H67N11O16	945.4767	NA	PeJP	NA	NA
+PJ093813	GTLLEEER 	C39H67N11O16	945.4768	NA	PeJP	NA	NA
+PJ093814	GPLLEMMR 	C40H71N11O11S2	945.4776	NA	PeJP	NA	NA
+PJ093815	GGGGPVLKMM 	C40H71N11O11S2	945.4777	NA	PeJP	NA	NA
+PJ093816	GDKERRW 	C40H63N15O12	945.4781	NA	PeJP	NA	NA
+PJ093817	PTLLMWW 	C48H67N9O9S	945.4783	NA	PeJP	NA	NA
+PJ093818	GHHHFRR 	C41H59N19O8	945.4795	NA	PeJP	NA	NA
+PJ093819	LLKEEEW 	C44H67N9O14	945.4808	NA	PeJP	NA	NA
+PJ093820	VQQEMRR 	C37H67N15O12S	945.4815	NA	PeJP	NA	NA
+PJ093821	GPVLLMMW 	C45H71N9O9S2	945.4817	NA	PeJP	NA	NA
+PJ093822	AAKERWW 	C45H63N13O10	945.4821	NA	PeJP	NA	NA
+PJ093823	SSPPTTLLM 	C41H71N9O14S	945.4841	NA	PeJP	NA	NA
+PJ093824	SPLLKEEM 	C41H71N9O14S	945.4842	NA	PeJP	NA	NA
+PJ093825	VLLEFYY 	C49H67N7O12	945.4848	NA	PeJP	NA	NA
+PJ093826	PPVLKMMM 	C42H75N9O9S3	945.485	NA	PeJP	NA	NA
+PJ093827	GSSNNRRR 	C34H63N19O13	945.4853	NA	PeJP	NA	NA
+PJ093828	PTQKMRW 	C42H67N13O10S	945.4855	NA	PeJP	NA	NA
+PJ093829	LQKWWW 	C50H63N11O8	945.4861	NA	PeJP	NA	NA
+PJ093830	GALKWWW 	C50H63N11O8	945.4862	NA	PeJP	NA	NA
+PJ093831	QKKEEER 	C38H67N13O15	945.488	NA	PeJP	NA	NA
+PJ093832	GPVQKMMR 	C39H71N13O10S2	945.4889	NA	PeJP	NA	NA
+PJ093833	GSERRRW 	C39H63N17O11	945.4893	NA	PeJP	NA	NA
+PJ093834	GGGPTKHHR 	C39H63N17O11	945.4894	NA	PeJP	NA	NA
+PJ093835	APKKMWW 	C47H67N11O8S	945.4895	NA	PeJP	NA	NA
+PJ093836	TLLEERW 	C43H67N11O13	945.492	NA	PeJP	NA	NA
+PJ093837	AQEMRRR 	C36H67N17O11S	945.4927	NA	PeJP	NA	NA
+PJ093838	PLLMMRW 	C44H71N11O8S2	945.4929	NA	PeJP	NA	NA
+PJ093839	DKRRWW 	C44H63N15O9	945.4934	NA	PeJP	NA	NA
+PJ093840	GVLLEEMR 	C40H71N11O13S	945.4954	NA	PeJP	NA	NA
+PJ093841	SLLLEWW 	C48H67N9O11	945.496	NA	PeJP	NA	NA
+MJ098407	Discobahamin B 	C48H67N9O11	945.496004	NA	MeJP	NA	NA
+PJ093842	AAPILEFW 	C48H67N9O11	945.4961	NA	PeJP	NA	NA
+PJ093843	GLQMRRW 	C41H67N15O9S	945.4967	NA	PeJP	NA	NA
+PJ093844	TQKEERR 	C37H67N15O14	945.4992	NA	PeJP	NA	NA
+PJ093845	GGGGGTKKER 	C37H67N15O14	945.4993	NA	PeJP	NA	NA
+PJ093846	AALLLEMW 	C45H71N9O11S	945.4994	NA	PeJP	NA	NA
+PJ093847	PLLFFFY 	C53H67N7O9	945.5001	NA	PeJP	NA	NA
+PJ093848	VNQHHRR 	C38H63N19O10	945.5006	NA	PeJP	NA	NA
+MJ098408	Vinfosiltine 	C51H72N5O10P	945.50168	NA	MeJP	NA	NA
+PJ093849	SVLLKEEE 	C41H71N9O16	945.5019	NA	PeJP	NA	NA
+PJ093850	PVVLKEMM 	C42H75N9O11S2	945.5028	NA	PeJP	NA	NA
+PJ093851	SLQKERW 	C42H67N13O12	945.5032	NA	PeJP	NA	NA
+PJ093852	AKKEERW 	C42H67N13O12	945.5033	NA	PeJP	NA	NA
+PJ093853	LLLMFFY 	C50H71N7O9S	945.5034	NA	PeJP	NA	NA
+PJ093854	CNNKRRR 	C35H67N19O10S	945.5039	NA	PeJP	NA	NA
+PJ093855	GDMRRRR 	C35H67N19O10S	945.504	NA	PeJP	NA	NA
+PJ093856	SRRRWW 	C43H63N17O8	945.5046	NA	PeJP	NA	NA
+PJ093857	LLEEMRR 	C39H71N13O12S	945.5066	NA	PeJP	NA	NA
+PJ093858	GGGGGGVVKKM 	C39H71N13O12S	945.5067	NA	PeJP	NA	NA
+PJ093859	GLKKEWW 	C47H67N11O10	945.5073	NA	PeJP	NA	NA
+PJ093860	AAMRRRW 	C40H67N17O8S	945.508	NA	PeJP	NA	NA
+PJ093861	SDKERRR 	C36H67N17O13	945.5105	NA	PeJP	NA	NA
+PJ093862	LLQQKMW 	C44H71N11O10S	945.5106	NA	PeJP	NA	NA
+PJ093863	VLLEMRW 	C44H71N11O10S	945.5107	NA	PeJP	NA	NA
+PJ093864	PVVLFWW 	C52H67N9O8	945.5113	NA	PeJP	NA	NA
+PJ093865	GQHHRRR 	C37H63N21O9	945.5118	NA	PeJP	NA	NA
+PJ093866	VTTILDER 	C40H71N11O15	945.5131	NA	PeJP	NA	NA
+PJ093867	SSLLLEER 	C40H71N11O15	945.5132	NA	PeJP	NA	NA
+PJ093868	SPVLLMMR 	C41H75N11O10S2	945.514	NA	PeJP	NA	NA
+PJ093869	ATKERRW 	C41H67N15O11	945.5145	NA	PeJP	NA	NA
+PJ093870	VVLLMWW 	C49H71N9O8S	945.5147	NA	PeJP	NA	NA
+PJ093871	ATTLLLEW 	C45H71N9O13	945.5172	NA	PeJP	NA	NA
+PJ093872	VQKEMRR 	C38H71N15O11S	945.5179	NA	PeJP	NA	NA
+PJ093873	GTLKRWW 	C46H67N13O9	945.5185	NA	PeJP	NA	NA
+PJ093874	SLLLLQEM 	C42H75N9O13S	945.5205	NA	PeJP	NA	NA
+PJ093875	ALLLKEEM 	C42H75N9O13S	945.5206	NA	PeJP	NA	NA
+PJ093876	VLLLYYY 	C50H71N7O11	945.5212	NA	PeJP	NA	NA
+PJ093877	SSERRRR 	C35H67N19O12	945.5217	NA	PeJP	NA	NA
+PJ093878	PTKKMRW 	C43H71N13O9S	945.5219	NA	PeJP	NA	NA
+PJ093879	LKKWWW 	C51H67N11O7	945.5225	NA	PeJP	NA	NA
+PJ093880	KKKEEER 	C39H71N13O14	945.5244	NA	PeJP	NA	NA
+PJ093881	GPVKKMMR 	C40H75N13O9S2	945.5253	NA	PeJP	NA	NA
+PJ093882	ATTRRRW 	C40H67N17O10	945.5257	NA	PeJP	NA	NA
+PJ093883	VKKKEEW 	C44H71N11O12	945.5284	NA	PeJP	NA	NA
+PJ093884	AKEMRRR 	C37H71N17O10S	945.5291	NA	PeJP	NA	NA
+PJ093885	ALHFFRR 	C45H67N15O8	945.5297	NA	PeJP	NA	NA
+PJ093886	GPKFRRW 	C45H67N15O8	945.5298	NA	PeJP	NA	NA
+PJ093887	ATLLLEMR 	C41H75N11O12S	945.5318	NA	PeJP	NA	NA
+PJ093888	AAPLLLYW 	C49H71N9O10	945.5324	NA	PeJP	NA	NA
+PJ093889	GLKMRRW 	C42H71N15O8S	945.5331	NA	PeJP	NA	NA
+PJ093890	TKKEERR 	C38H71N15O13	945.5356	NA	PeJP	NA	NA
+PJ093891	GTLLLLMW 	C46H75N9O10S	945.5358	NA	PeJP	NA	NA
+PJ093892	PKKMMRR 	C39H75N15O8S2	945.5365	NA	PeJP	NA	NA
+PJ093893	PPQHRRR 	C39H67N19O9	945.537	NA	PeJP	NA	NA
+PJ093894	TTLLLKEE 	C42H75N9O15	945.5383	NA	PeJP	NA	NA
+PJ093895	PTLLLKMM 	C43H79N9O10S2	945.5392	NA	PeJP	NA	NA
+PJ093896	SLKKERW 	C43H71N13O11	945.5396	NA	PeJP	NA	NA
+PJ093897	GGDKKKKW 	C43H71N13O11	945.5397	NA	PeJP	NA	NA
+PJ093898	ATMRRRR 	C36H71N19O9S	945.5403	NA	PeJP	NA	NA
+PJ093899	AALKKEMR 	C40H75N13O11S	945.543	NA	PeJP	NA	NA
+PJ093900	SVLKKWW 	C48H71N11O9	945.5437	NA	PeJP	NA	NA
+PJ093901	TTKERRR 	C37H71N17O12	945.5469	NA	PeJP	NA	NA
+PJ093902	LLQKKMW 	C45H75N11O9S	945.547	NA	PeJP	NA	NA
+PJ093903	GKHHRRR 	C38H67N21O8	945.5482	NA	PeJP	NA	NA
+PJ093904	TTTLLLER 	C41H75N11O14	945.5495	NA	PeJP	NA	NA
+PJ093905	GLLLLMMR 	C42H79N11O9S2	945.5504	NA	PeJP	NA	NA
+PJ093906	STLKRRW 	C42H71N15O10	945.5509	NA	PeJP	NA	NA
+PJ093907	STTILLLW 	C46H75N9O12	945.5535	NA	PeJP	NA	NA
+PJ093908	STTLLLLW 	C46H75N9O12	945.5536	NA	PeJP	NA	NA
+PJ093909	QQKKKMR 	C39H75N15O10S	945.5542	NA	PeJP	NA	NA
+PJ093910	VKKEMRR 	C39H75N15O10S	945.5543	NA	PeJP	NA	NA
+PJ093911	LLLKHHW 	C47H71N13O8	945.5549	NA	PeJP	NA	NA
+PJ093912	SLLLLKEM 	C43H79N9O12S	945.5569	NA	PeJP	NA	NA
+PJ093913	TTTRRRR 	C36H71N19O11	945.5581	NA	PeJP	NA	NA
+PJ093914	VVKKMRW 	C44H75N13O8S	945.5583	NA	PeJP	NA	NA
+PJ093915	ATTLKKER 	C40H75N13O13	945.5608	NA	PeJP	NA	NA
+PJ093916	APKRRRY 	C41H71N17O9	945.5621	NA	PeJP	NA	NA
+PJ093917	GTTLLKKW 	C45H75N11O11	945.5648	NA	PeJP	NA	NA
+PJ093918	SLKMRRR 	C38H75N17O9S	945.5655	NA	PeJP	NA	NA
+PJ093919	STLLLLMR 	C42H79N11O11S	945.5682	NA	PeJP	NA	NA
+PJ093920	AALLLLFW 	C50H75N9O9	945.5688	NA	PeJP	NA	NA
+PJ093921	SSSLLKRR 	C39H75N15O12	945.572	NA	PeJP	NA	NA
+PJ093922	PVVLLKMF 	C47H79N9O9S	945.5722	NA	PeJP	NA	NA
+PJ093923	GVFRRRR 	C40H71N19O8	945.5734	NA	PeJP	NA	NA
+PJ093924	SSSTLLLLL 	C43H79N9O14	945.5747	NA	PeJP	NA	NA
+PJ093925	VVLLLKMM 	C44H83N9O9S2	945.5756	NA	PeJP	NA	NA
+PJ093926	TQKKKKW 	C44H75N13O10	945.576	NA	PeJP	NA	NA
+PJ093927	GTLLKKMR 	C41H79N13O10S	945.5794	NA	PeJP	NA	NA
+PJ093928	VLLLFRW 	C49H75N11O8	945.58	NA	PeJP	NA	NA
+PJ093929	PLKKKFW 	C49H75N11O8	945.5801	NA	PeJP	NA	NA
+PJ093930	GSSKKKRR 	C38H75N17O11	945.5832	NA	PeJP	NA	NA
+PJ093931	LLKKKMW 	C46H79N11O8S	945.5834	NA	PeJP	NA	NA
+PJ093932	FRRRRR 	C39H71N21O7	945.5846	NA	PeJP	NA	NA
+PJ093933	STLLKKKE 	C42H79N11O13	945.5859	NA	PeJP	NA	NA
+PJ093934	PVKKRRY 	C43H75N15O9	945.5873	NA	PeJP	NA	NA
+PJ093935	SPLLLLKY 	C47H79N9O11	945.5899	NA	PeJP	NA	NA
+PJ093936	GAALLLLLY 	C47H79N9O11	945.59	NA	PeJP	NA	NA
+PJ093937	QKKKKMR 	C40H79N15O9S	945.5906	NA	PeJP	NA	NA
+PJ093938	STTILKKR 	C41H79N13O12	945.5971	NA	PeJP	NA	NA
+PJ093939	STTLLKKR 	C41H79N13O12	945.5972	NA	PeJP	NA	NA
+PJ093940	ALKFRRR 	C42H75N17O8	945.5985	NA	PeJP	NA	NA
+PJ093941	GVLLLLRY 	C46H79N11O10	945.6012	NA	PeJP	NA	NA
+PJ093942	CKKKKRR 	C39H79N17O8S	945.6019	NA	PeJP	NA	NA
+PJ093943	SVLLKKKM 	C43H83N11O10S	945.6046	NA	PeJP	NA	NA
+PJ093944	GTTKKKKR 	C40H79N15O11	945.6084	NA	PeJP	NA	NA
+PJ093945	TKKKKKW 	C45H79N13O9	945.6124	NA	PeJP	NA	NA
+PJ093946	GVKKKKKM 	C42H83N13O9S	945.6158	NA	PeJP	NA	NA
+PJ093947	VLKKFRR 	C44H79N15O8	945.6236	NA	PeJP	NA	NA
+PJ093948	ALLLLLKY 	C48H83N9O10	945.6263	NA	PeJP	NA	NA
+PJ093949	KKKKKMR 	C41H83N15O8S	945.627	NA	PeJP	NA	NA
+PJ093950	SSLKKKKK 	C42H83N13O11	945.6335	NA	PeJP	NA	NA
+PJ093951	GLLLKKKF 	C47H83N11O9	945.6376	NA	PeJP	NA	NA
+MJ098409	Primycin; Primycin A1, 18-O-Dearabinosyl 	C50H95N3O13	945.68649	NA	MeJP	NA	NA
+HMDB04836	Galabiosylceramide (d18:1/22:0)	C52H99NO13	945.71167	http://www.hmdb.ca/metabolites/HMDB04836	HMDB	NA	NA
+HMDB04871	Lactosylceramide (d18:1/22:0)	C52H99NO13	945.71167	http://www.hmdb.ca/metabolites/HMDB04871	HMDB	NA	NA
+HMDB04836	Galabiosylceramide (d18:1/22:0)	C52H99NO13	945.71167	HMDB04836	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04871	Lactosylceramide (d18:1/22:0)	C52H99NO13	945.71167	HMDB04871	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04836	Galabiosylceramide (d18:1/22:0)	C52H99NO13	945.71167	NA	HMDB2010	NA	NA
+HMDB11594	Lactosylceramide (d18:1/22:0)	C52H99NO13	945.71167	NA	HMDB2010	NA	NA
+3476	alpha amylase ligand from Hordeum vulgare	IVRHLFLHVYPRVLM	946.0407	MH2+	Inhouse_peptide	NA	peptide
+3238	bombolitin I from venom of bumble bee (Megabombus	IKITTMLAKLGKVLAHVG	946.0732	MH2+	Inhouse_peptide	NA	peptide
+PJ093952	GCCCCNDDD 	C30H46N10O17S4	946.1926	NA	PeJP	NA	NA
+PJ093953	CCCCCCFY 	C36H50N8O10S6	946.1975	NA	PeJP	NA	NA
+PJ093954	SPCCCCCND 	C31H50N10O14S5	946.2112	NA	PeJP	NA	NA
+PJ093955	SCCCCCYY 	C36H50N8O12S5	946.2152	NA	PeJP	NA	NA
+PJ093956	CCDDDDMM 	C32H50N8O17S4	946.2177	NA	PeJP	NA	NA
+PJ093957	GCCCCCNNQ 	C30H50N12O13S5	946.2224	NA	PeJP	NA	NA
+PJ093958	GGGGGGACCCCC 	C30H50N12O13S5	946.2225	NA	PeJP	NA	NA
+PJ093959	CCCCCEHF 	C35H50N10O11S5	946.2265	NA	PeJP	NA	NA
+PJ093960	GSCCCCDQE 	C31H50N10O16S4	946.2289	NA	PeJP	NA	NA
+PJ093961	GSCCCNDDM 	C31H50N10O16S4	946.229	NA	PeJP	NA	NA
+PJ093962	GPCCCCCQM 	C32H54N10O11S6	946.2298	NA	PeJP	NA	NA
+PJ093963	CCDDDDDF 	C35H46N8O19S2	946.2321	NA	PeJP	NA	NA
+PJ093964	CCCDDDHH 	C33H46N12O15S3	946.2368	NA	PeJP	NA	NA
+PJ093965	SSCCCCNNN 	C30H50N12O15S4	946.2402	NA	PeJP	NA	NA
+PJ093966	GPCCCCCCR 	C31H54N12O10S6	946.2411	NA	PeJP	NA	NA
+PJ093967	SCCCCNEW 	C35H50N10O13S4	946.2442	NA	PeJP	NA	NA
+MJ098410	Rubroside H; 2'-O-[5-Deoxy-2-O-methyl-?-D-arabinofuranosyl-(1?4)-?-D-xylopyranosyl] 	C42H53Cl3N2O16	946.246066	NA	MeJP	NA	NA
+PJ093968	SSSCCCNDE 	C31H50N10O18S3	946.2467	NA	PeJP	NA	NA
+PJ093969	CCCNNEMM 	C32H54N10O13S5	946.2476	NA	PeJP	NA	NA
+PJ093970	SCDDDDDY 	C35H46N8O21S	946.2499	NA	PeJP	NA	NA
+PJ093971	PCCCDDEY 	C36H50N8O16S3	946.2507	NA	PeJP	NA	NA
+PJ093972	SCDDDMMM 	C33H54N8O16S4	946.2541	NA	PeJP	NA	NA
+PJ093973	PCCCEMMM 	C34H58N8O11S6	946.255	NA	PeJP	NA	NA
+PJ093974	CCCCNDMR 	C31H54N12O12S5	946.2588	NA	PeJP	NA	NA
+PJ093975	GSCCCCWW 	C39H50N10O10S4	946.2595	NA	PeJP	NA	NA
+PJ093976	GSSSCCCDW 	C35H50N10O15S3	946.262	NA	PeJP	NA	NA
+PJ093977	GCCCNMMW 	C36H54N10O10S5	946.2628	NA	PeJP	NA	NA
+PJ093978	GSSSSSCCDD 	C31H50N10O20S2	946.2645	NA	PeJP	NA	NA
+PJ093979	GSSCCNDMM 	C32H54N10O15S4	946.2653	NA	PeJP	NA	NA
+PJ093980	GPCCCCCKM 	C33H58N10O10S6	946.2662	NA	PeJP	NA	NA
+PJ093981	CCCCNQHH 	C33H50N14O11S4	946.2667	NA	PeJP	NA	NA
+PJ093982	GCDDDEMY 	C36H50N8O18S2	946.2685	NA	PeJP	NA	NA
+PJ093983	PCCCDEMF 	C37H54N8O13S4	946.2694	NA	PeJP	NA	NA
+PJ093984	CNNDDDDH 	C33H46N12O19S	946.2723	NA	PeJP	NA	NA
+PJ093985	GGGGCDDDDH 	C33H46N12O19S	946.2724	NA	PeJP	NA	NA
+PJ093986	GCDEMMMM 	C34H58N8O13S5	946.2727	NA	PeJP	NA	NA
+PJ093987	CCCNNNNY 	C34H50N12O14S3	946.2732	NA	PeJP	NA	NA
+PJ093988	ACCCCCRW 	C35H54N12O9S5	946.2741	NA	PeJP	NA	NA
+MJ098411	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-(O-4-Hydroxycinnamoylrutinoside), 5-O-?-D-glucopyranoside 	C44H51O23(+)	946.274287	NA	MeJP	NA	NA
+MJ098412	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[(4-Hydroxy-Z-cinnamoyl)-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C44H51O23(+)	946.274287	NA	MeJP	NA	NA
+MJ098413	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside, O-4-hydroxycinnamoyl 	C44H51O23(+)	946.274287	NA	MeJP	NA	NA
+PJ093989	GSSCCCCER 	C31H54N12O14S4	946.2766	NA	PeJP	NA	NA
+PJ093990	GCCCNDFW 	C39H50N10O12S3	946.2772	NA	PeJP	NA	NA
+PJ093991	SDDDDDEH 	C34H46N10O22	946.2789	NA	PeJP	NA	NA
+PJ093992	SCCNNDEY 	C35H50N10O17S2	946.2797	NA	PeJP	NA	NA
+PJ093993	SSCCCQMW 	C36H54N10O12S4	946.2806	NA	PeJP	NA	NA
+PJ093994	SSSSCCNEM 	C32H54N10O17S3	946.2831	NA	PeJP	NA	NA
+PJ093995	CDDDMYW 	C40H50N8O15S2	946.2837	NA	PeJP	NA	NA
+PJ093996	SCCNQMMM 	C33H58N10O12S5	946.2839	NA	PeJP	NA	NA
+PJ093997	GGSCCQMMM 	C33H58N10O12S5	946.284	NA	PeJP	NA	NA
+PJ093998	GSSCCCNHH 	C33H50N14O13S3	946.2844	NA	PeJP	NA	NA
+PJ093999	SSDDDDMY 	C36H50N8O20S	946.2862	NA	PeJP	NA	NA
+PJ094000	SPCCDEMY 	C37H54N8O15S3	946.2871	NA	PeJP	NA	NA
+PJ094001	CDMMMMW 	C38H58N8O10S5	946.288	NA	PeJP	NA	NA
+PJ094002	SSDDMMMM 	C34H58N8O15S4	946.2905	NA	PeJP	NA	NA
+PJ094003	GSPCCNDDH 	C34H50N12O16S2	946.291	NA	PeJP	NA	NA
+PJ094004	PTCCMMMM 	C35H62N8O10S6	946.2914	NA	PeJP	NA	NA
+PJ094005	SSCCCCRW 	C35H54N12O11S4	946.2918	NA	PeJP	NA	NA
+PJ094006	SSSSCCCDR 	C31H54N12O16S3	946.2943	NA	PeJP	NA	NA
+PJ094007	GSCCNDYW 	C39H50N10O14S2	946.295	NA	PeJP	NA	NA
+PJ094008	SCCCNMMR 	C32H58N12O11S5	946.2952	NA	PeJP	NA	NA
+PJ094009	GCCCMHFF 	C40H54N10O9S4	946.2959	NA	PeJP	NA	NA
+PJ094010	GSSSCNDDY 	C35H50N10O19S	946.2975	NA	PeJP	NA	NA
+PJ094011	GSSSSCCMW 	C36H54N10O14S3	946.2983	NA	PeJP	NA	NA
+PJ094012	GGGCNDMMY 	C36H54N10O14S3	946.2984	NA	PeJP	NA	NA
+PJ094013	ACCCCKMW 	C37H58N10O9S5	946.2992	NA	PeJP	NA	NA
+PJ094014	GSSSSSSCDM 	C32H54N10O19S2	946.3008	NA	PeJP	NA	NA
+PJ094015	GPCDDDYY 	C40H50N8O17S	946.3015	NA	PeJP	NA	NA
+PJ094016	GSSSCNMMM 	C33H58N10O14S4	946.3017	NA	PeJP	NA	NA
+PJ094017	CCNNNNEH 	C33H50N14O15S2	946.3022	NA	PeJP	NA	NA
+PJ094018	CDDMMFW 	C41H54N8O12S3	946.3024	NA	PeJP	NA	NA
+PJ094019	CCCCNKHH 	C34H54N14O10S4	946.3031	NA	PeJP	NA	NA
+PJ094020	GSDDEMMY 	C37H54N8O17S2	946.3049	NA	PeJP	NA	NA
+PJ094021	GPCDMMMY 	C38H58N8O12S4	946.3057	NA	PeJP	NA	NA
+PJ094022	GCCDEHHF 	C38H50N12O13S2	946.3062	NA	PeJP	NA	NA
+PJ094023	TCCCCCRR 	C31H58N14O10S5	946.3064	NA	PeJP	NA	NA
+PJ094024	CCMMHHW 	C39H54N12O8S4	946.3071	NA	PeJP	NA	NA
+PJ094025	SNNDDDMH 	C34H50N12O18S	946.3087	NA	PeJP	NA	NA
+PJ094026	GSEMMMMM 	C35H62N8O12S5	946.3091	NA	PeJP	NA	NA
+PJ094027	GCCCNERY 	C35H54N12O13S3	946.3096	NA	PeJP	NA	NA
+PJ094028	ACCCHHHH 	C36H50N16O9S3	946.3109	NA	PeJP	NA	NA
+PJ094029	DDDEMHW 	C39H50N10O16S	946.3127	NA	PeJP	NA	NA
+PJ094030	GGGGGCDDFY 	C39H50N10O16S	946.3128	NA	PeJP	NA	NA
+PJ094031	GTTTCCCCR 	C32H58N12O13S4	946.3129	NA	PeJP	NA	NA
+PJ094032	GSSTCCCMR 	C32H58N12O13S4	946.313	NA	PeJP	NA	NA
+PJ094033	CCNQMYW 	C40H54N10O11S3	946.3136	NA	PeJP	NA	NA
+PJ094034	SSDDEEEH 	C35H50N10O21	946.3152	NA	PeJP	NA	NA
+PJ094035	GGPNDDDEE 	C35H50N10O21	946.3153	NA	PeJP	NA	NA
+PJ094036	SSSSSTCCW 	C36H54N10O16S2	946.3161	NA	PeJP	NA	NA
+PJ094037	GDDDDHHH 	C36H46N14O17	946.3166	NA	PeJP	NA	NA
+PJ094038	CDDDFFW 	C44H50N8O14S	946.3168	NA	PeJP	NA	NA
+PJ094039	SSCCCKMW 	C37H58N10O11S4	946.317	NA	PeJP	NA	NA
+PJ094040	GCCNNNHW 	C37H50N14O12S2	946.3174	NA	PeJP	NA	NA
+PJ094041	GGGCCNNHW 	C37H50N14O12S2	946.3175	NA	PeJP	NA	NA
+PJ094042	SSSSSSSSCE 	C32H54N10O21S	946.3186	NA	PeJP	NA	NA
+PJ094043	NDDEEYY 	C40H50N8O19	946.3193	NA	PeJP	NA	NA
+PJ094044	SSSSSCQMM 	C33H58N10O16S3	946.3195	NA	PeJP	NA	NA
+PJ094045	GSSCNNNDH 	C33H50N14O17S	946.3199	NA	PeJP	NA	NA
+PJ094046	GGGSSCNNDH 	C33H50N14O17S	946.32	NA	PeJP	NA	NA
+PJ094047	SDDMMYW 	C41H54N8O14S2	946.3201	NA	PeJP	NA	NA
+PJ094048	SCCNKMMM 	C34H62N10O11S5	946.3203	NA	PeJP	NA	NA
+PJ094049	GGSCCKMMM 	C34H62N10O11S5	946.3204	NA	PeJP	NA	NA
+PJ094050	PCCCNDHR 	C34H54N14O12S3	946.3208	NA	PeJP	NA	NA
+PJ094051	PPCCCMFF 	C42H58N8O9S4	946.321	NA	PeJP	NA	NA
+PJ094052	CCDHHFW 	C42H50N12O10S2	946.3215	NA	PeJP	NA	NA
+PJ094053	SSSDEEMY 	C37H54N8O19S	946.3226	NA	PeJP	NA	NA
+PJ094054	NEEMMMY 	C38H58N8O14S3	946.3235	NA	PeJP	NA	NA
+PJ094055	GSCNDEHW 	C38H50N12O15S	946.324	NA	PeJP	NA	NA
+PJ094056	SMMMMMW 	C39H62N8O9S5	946.3244	NA	PeJP	NA	NA
+PJ094057	CCCNRYW 	C39H54N12O10S3	946.3248	NA	PeJP	NA	NA
+PJ094058	GGGPCCMHW 	C39H54N12O10S3	946.3249	NA	PeJP	NA	NA
+PJ094059	GSSSNDDEH 	C34H50N12O20	946.3265	NA	PeJP	NA	NA
+PJ094060	SSTEMMMM 	C35H62N8O14S4	946.3269	NA	PeJP	NA	NA
+PJ094061	SSCCNDRY 	C35H54N12O15S2	946.3273	NA	PeJP	NA	NA
+PJ094062	GGGNDEMMH 	C35H54N12O15S2	946.3274	NA	PeJP	NA	NA
+PJ094063	AAMMMMMM 	C36H66N8O9S6	946.3277	NA	PeJP	NA	NA
+PJ094064	GCCCQMFR 	C36H58N12O10S4	946.3282	NA	PeJP	NA	NA
+PJ094065	SSCCHHHH 	C36H50N16O11S2	946.3287	NA	PeJP	NA	NA
+PJ094066	GPNDDDEW 	C39H50N10O18	946.3305	NA	PeJP	NA	NA
+PJ094067	SSSSSCCMR 	C32H58N12O15S3	946.3307	NA	PeJP	NA	NA
+PJ094068	GSSCNMYW 	C40H54N10O13S2	946.3314	NA	PeJP	NA	NA
+PJ094069	TCCCCKMR 	C33H62N12O10S5	946.3316	NA	PeJP	NA	NA
+PJ094070	ASSSSCNEY 	C36H54N10O18S	946.3338	NA	PeJP	NA	NA
+PJ094071	GSSSSNDMY 	C36H54N10O18S	946.3339	NA	PeJP	NA	NA
+PJ094072	GDDEYYW 	C44H50N8O16	946.3345	NA	PeJP	NA	NA
+PJ094073	CDEMMRY 	C37H58N10O13S3	946.3347	NA	PeJP	NA	NA
+PJ094074	GGGPPPCCEM 	C37H58N10O13S3	946.3348	NA	PeJP	NA	NA
+PJ094075	SPCDDHHH 	C37H50N14O14S	946.3352	NA	PeJP	NA	NA
+PJ094076	PCCEFYW 	C45H54N8O11S2	946.3354	NA	PeJP	NA	NA
+PJ094077	GSSSSSSSMM 	C33H58N10O18S2	946.3372	NA	PeJP	NA	NA
+PJ094078	NNNNNNDE 	C33H50N14O19	946.3377	NA	PeJP	NA	NA
+PJ094079	GGGGGGGGGGGGDE 	C33H50N14O19	946.3378	NA	PeJP	NA	NA
+PJ094080	GSPDDMYY 	C41H54N8O16S	946.3379	NA	PeJP	NA	NA
+PJ094081	GSSTCCKMM 	C34H62N10O13S4	946.3381	NA	PeJP	NA	NA
+PJ094082	GCNDDMHR 	C34H54N14O14S2	946.3386	NA	PeJP	NA	NA
+PJ094083	ADMMMYW 	C42H58N8O11S3	946.3387	NA	PeJP	NA	NA
+PJ094084	GEMMMYW 	C42H58N8O11S3	946.3388	NA	PeJP	NA	NA
+PJ094085	SCNDHWW 	C42H50N12O12S	946.3392	NA	PeJP	NA	NA
+PJ094086	GCCCCFRR 	C35H58N14O9S4	946.3395	NA	PeJP	NA	NA
+PJ094087	GPEEEEEE 	C37H54N8O21	946.3404	NA	PeJP	NA	NA
+PJ094088	GSTEEMMY 	C38H58N8O16S2	946.3413	NA	PeJP	NA	NA
+PJ094089	SSSNDDHW 	C38H50N12O17	946.3417	NA	PeJP	NA	NA
+PJ094090	GGGGGDDEHF 	C38H50N12O17	946.3418	NA	PeJP	NA	NA
+PJ094091	GSPMMMMY 	C39H62N8O11S4	946.3421	NA	PeJP	NA	NA
+PJ094092	NNDMMHW 	C39H54N12O12S2	946.3426	NA	PeJP	NA	NA
+PJ094093	SSNNEEMH 	C35H54N12O17S	946.3451	NA	PeJP	NA	NA
+PJ094094	ATTMMMMM 	C36H66N8O11S5	946.3455	NA	PeJP	NA	NA
+PJ094095	PNDDDWW 	C43H50N10O15	946.3458	NA	PeJP	NA	NA
+PJ094096	GSCCQMRY 	C36H58N12O12S3	946.346	NA	PeJP	NA	NA
+PJ094097	GCNNEHHH 	C36H50N16O13S	946.3464	NA	PeJP	NA	NA
+PJ094098	GGGCNEHHH 	C36H50N16O13S	946.3465	NA	PeJP	NA	NA
+PJ094099	CCNQFFW 	C44H54N10O10S2	946.3466	NA	PeJP	NA	NA
+PJ094100	SSSSCQYW 	C40H54N10O15S	946.3491	NA	PeJP	NA	NA
+PJ094101	DDYYWW 	C48H50N8O13	946.3498	NA	PeJP	NA	NA
+PJ094102	CCNKMYW 	C41H58N10O10S3	946.35	NA	PeJP	NA	NA
+PJ094103	SSSSSSNEY 	C36H54N10O20	946.3516	NA	PeJP	NA	NA
+PJ094104	SSSNQMMY 	C37H58N10O15S2	946.3525	NA	PeJP	NA	NA
+PJ094105	GNNNNNDW 	C37H50N14O16	946.353	NA	PeJP	NA	NA
+PJ094106	SPCEYYW 	C45H54N8O13S	946.3531	NA	PeJP	NA	NA
+PJ094107	GPCDDFFF 	C45H54N8O13S	946.3532	NA	PeJP	NA	NA
+PJ094108	PCCCCKKY 	C38H62N10O10S4	946.3534	NA	PeJP	NA	NA
+PJ094109	CCNEHRW 	C38H54N14O11S2	946.3538	NA	PeJP	NA	NA
+PJ094110	MMMYWW 	C46H58N8O8S3	946.354	NA	PeJP	NA	NA
+PJ094111	SSSSSSSSTM 	C33H58N10O20S	946.355	NA	PeJP	NA	NA
+PJ094112	PEEEEEW 	C41H54N8O18	946.3556	NA	PeJP	NA	NA
+PJ094113	PPPDDDEY 	C41H54N8O18	946.3557	NA	PeJP	NA	NA
+PJ094114	SSSSSCKMM 	C34H62N10O15S3	946.3559	NA	PeJP	NA	NA
+PJ094115	SSCNDEHR 	C34H54N14O16S	946.3563	NA	PeJP	NA	NA
+PJ094116	GGGGPCNDDR 	C34H54N14O16S	946.3564	NA	PeJP	NA	NA
+PJ094117	STEMMYW 	C42H58N8O13S2	946.3565	NA	PeJP	NA	NA
+PJ094118	TCCCKKMM 	C35H66N10O10S5	946.3567	NA	PeJP	NA	NA
+PJ094119	NNDDHFW 	C42H50N12O14	946.357	NA	PeJP	NA	NA
+PJ094120	GSCCCRRY 	C35H58N14O11S3	946.3572	NA	PeJP	NA	NA
+PJ094121	AMMMMFW 	C43H62N8O8S4	946.3574	NA	PeJP	NA	NA
+PJ094122	ACNMHWW 	C43H54N12O9S2	946.3578	NA	PeJP	NA	NA
+PJ094123	GCQMHWW 	C43H54N12O9S2	946.3579	NA	PeJP	NA	NA
+PJ094124	SSTTEEMY 	C38H58N8O18S	946.359	NA	PeJP	NA	NA
+PJ094125	DKEMMMY 	C39H62N8O13S3	946.3599	NA	PeJP	NA	NA
+PJ094126	CNNDRYY 	C39H54N12O14S	946.3603	NA	PeJP	NA	NA
+PJ094127	GSSNEMHW 	C39H54N12O14S	946.3604	NA	PeJP	NA	NA
+PJ094128	APCCCKHW 	C40H58N12O9S3	946.3612	NA	PeJP	NA	NA
+PJ094129	CNNHHHW 	C40H50N16O10S	946.3617	NA	PeJP	NA	NA
+MJ098414	Cerberalignan H 	C50H58O18	946.362315	NA	MeJP	NA	NA
+MJ098415	Cerberalignan M 	C50H58O18	946.362315	NA	MeJP	NA	NA
+MJ098416	Cerberalignan N 	C50H58O18	946.362315	NA	MeJP	NA	NA
+PJ094130	ASSSSDQEH 	C35H54N12O19	946.3628	NA	PeJP	NA	NA
+PJ094131	SPNDDDER 	C35H54N12O19	946.3629	NA	PeJP	NA	NA
+PJ094132	TTTTMMMM 	C36H66N8O13S4	946.3632	NA	PeJP	NA	NA
+PJ094133	SSSCNMRY 	C36H58N12O14S2	946.3637	NA	PeJP	NA	NA
+PJ094134	GGGGGGGPPTCM 	C36H58N12O14S2	946.3638	NA	PeJP	NA	NA
+PJ094135	SSNNDHHH 	C36H50N16O15	946.3642	NA	PeJP	NA	NA
+PJ094136	GSPPCDWW 	C44H54N10O12S	946.3644	NA	PeJP	NA	NA
+PJ094137	GCCCKMFR 	C37H62N12O9S4	946.3646	NA	PeJP	NA	NA
+PJ094138	GSSSSSSYW 	C40H54N10O17	946.3669	NA	PeJP	NA	NA
+PJ094139	GSTCCKYW 	C41H58N10O12S2	946.3677	NA	PeJP	NA	NA
+PJ094140	LDDMMHW 	C41H58N10O12S2	946.3678	NA	PeJP	NA	NA
+PJ094141	SDEHHHW 	C41H50N14O13	946.3682	NA	PeJP	NA	NA
+PJ094142	DMFYWW 	C49H54N8O10S	946.3684	NA	PeJP	NA	NA
+PJ094143	GCCHRWW 	C42H54N14O8S2	946.3691	NA	PeJP	NA	NA
+PJ094144	GSSSSTQMY 	C37H58N10O17S	946.3702	NA	PeJP	NA	NA
+PJ094145	ATTEEEMH 	C37H58N10O17S	946.3703	NA	PeJP	NA	NA
+PJ094146	GTEEYYW 	C45H54N8O15	946.3709	NA	PeJP	NA	NA
+PJ094147	SEMMMRY 	C38H62N10O12S3	946.3711	NA	PeJP	NA	NA
+PJ094148	GSSCDHRW 	C38H54N14O13S	946.3716	NA	PeJP	NA	NA
+PJ094149	GPMMYYW 	C46H58N8O10S2	946.3718	NA	PeJP	NA	NA
+PJ094150	GSSSSDDHR 	C34H54N14O18	946.3741	NA	PeJP	NA	NA
+PJ094151	VNEEMYY 	C42H58N8O15S	946.3743	NA	PeJP	NA	NA
+PJ094152	EFYYYY 	C50H54N6O13	946.3749	NA	PeJP	NA	NA
+PJ094153	GSNDMMHR 	C35H58N14O13S2	946.375	NA	PeJP	NA	NA
+PJ094154	SVMMMYW 	C43H62N8O10S3	946.3751	NA	PeJP	NA	NA
+PJ094155	SSNMHWW 	C43H54N12O11S	946.3756	NA	PeJP	NA	NA
+PJ094156	SPVEEEEE 	C38H58N8O20	946.3768	NA	PeJP	NA	NA
+PJ094157	SSSLEMMY 	C39H62N8O15S2	946.3776	NA	PeJP	NA	NA
+PJ094158	PPVDEEMM 	C39H62N8O15S2	946.3777	NA	PeJP	NA	NA
+PJ094159	GSPDDDRW 	C39H54N12O16	946.3781	NA	PeJP	NA	NA
+PJ094160	LQMMMMY 	C40H66N8O10S4	946.3785	NA	PeJP	NA	NA
+PJ094161	GPPCCERW 	C40H58N12O11S2	946.379	NA	PeJP	NA	NA
+PJ094162	GSSSSTCRY 	C36H58N12O16S	946.3815	NA	PeJP	NA	NA
+PJ094163	SPNEEWW 	C44H54N10O14	946.3821	NA	PeJP	NA	NA
+PJ094164	GGGPPDDFW 	C44H54N10O14	946.3822	NA	PeJP	NA	NA
+PJ094165	GSCCKMRY 	C37H62N12O11S3	946.3824	NA	PeJP	NA	NA
+PJ094166	DDMHHHR 	C37H54N16O12S	946.3828	NA	PeJP	NA	NA
+PJ094167	PPCQMWW 	C45H58N10O9S2	946.383	NA	PeJP	NA	NA
+PJ094168	SNNNNNDR 	C33H54N16O17	946.3853	NA	PeJP	NA	NA
+PJ094169	GGGGGGGGSNDR 	C33H54N16O17	946.3854	NA	PeJP	NA	NA
+PJ094170	SSSSCKYW 	C41H58N10O14S	946.3855	NA	PeJP	NA	NA
+PJ094171	TEYYWW 	C49H54N8O12	946.3861	NA	PeJP	NA	NA
+PJ094172	GPDFYYW 	C49H54N8O12	946.3862	NA	PeJP	NA	NA
+PJ094173	PCMMFRY 	C42H62N10O9S3	946.3864	NA	PeJP	NA	NA
+PJ094174	AEMHHHW 	C42H54N14O10S	946.3868	NA	PeJP	NA	NA
+PJ094175	CLDHHHW 	C42H54N14O10S	946.3869	NA	PeJP	NA	NA
+PJ094176	MMFFWW 	C50H58N8O7S2	946.387	NA	PeJP	NA	NA
+PJ094177	SSSSSSDKY 	C37H58N10O19	946.388	NA	PeJP	NA	NA
+PJ094178	SSSNKMMY 	C38H62N10O14S2	946.3889	NA	PeJP	NA	NA
+PJ094179	NNNDERW 	C38H54N14O15	946.3893	NA	PeJP	NA	NA
+PJ094180	GGNNDERW 	C38H54N14O15	946.3894	NA	PeJP	NA	NA
+PJ094181	GVEMYYW 	C46H58N8O12S	946.3895	NA	PeJP	NA	NA
+PJ094182	CLMMMRY 	C39H66N10O9S4	946.3897	NA	PeJP	NA	NA
+PJ094183	GCCKKMMF 	C39H66N10O9S4	946.3898	NA	PeJP	NA	NA
+PJ094184	SCQMHRW 	C39H58N14O10S2	946.3902	NA	PeJP	NA	NA
+PJ094185	NEHHHHH 	C39H50N18O11	946.3907	NA	PeJP	NA	NA
+PJ094186	ACHHFFW 	C47H54N12O8S	946.3909	NA	PeJP	NA	NA
+PJ094187	SKEEEYY 	C42H58N8O17	946.392	NA	PeJP	NA	NA
+PJ094188	GPCDDERR 	C35H58N14O15S	946.3927	NA	PeJP	NA	NA
+PJ094189	GGGGGGGGGGVQM 	C35H58N14O15S	946.3928	NA	PeJP	NA	NA
+PJ094190	PDKMMYY 	C43H62N8O12S2	946.3929	NA	PeJP	NA	NA
+PJ094191	GSSSTHWW 	C43H54N12O13	946.3934	NA	PeJP	NA	NA
+PJ094192	NQMMMHR 	C36H62N14O10S3	946.3936	NA	PeJP	NA	NA
+PJ094193	GSCNHHHR 	C36H54N18O11S	946.3941	NA	PeJP	NA	NA
+PJ094194	PPCCRWW 	C44H58N12O8S2	946.3942	NA	PeJP	NA	NA
+PJ094195	TTTTTEMY 	C39H62N8O17S	946.3954	NA	PeJP	NA	NA
+PJ094196	GTTLMMMY 	C40H66N8O12S3	946.3963	NA	PeJP	NA	NA
+PJ094197	PNDEMRW 	C40H58N12O13S	946.3967	NA	PeJP	NA	NA
+PJ094198	GGPDEMRW 	C40H58N12O13S	946.3968	NA	PeJP	NA	NA
+PJ094199	GSPEWWW 	C48H54N10O11	946.3974	NA	PeJP	NA	NA
+PJ094200	SSSSSSSRY 	C36H58N12O18	946.3992	NA	PeJP	NA	NA
+PJ094201	GAQEEEER 	C36H58N12O18	946.3993	NA	PeJP	NA	NA
+PJ094202	SSTCCKRY 	C37H62N12O13S2	946.4001	NA	PeJP	NA	NA
+PJ094203	GPNDDHHR 	C37H54N16O14	946.4006	NA	PeJP	NA	NA
+PJ094204	ACNKYYW 	C45H58N10O11S	946.4007	NA	PeJP	NA	NA
+PJ094205	APQEMWW 	C45H58N10O11S	946.4008	NA	PeJP	NA	NA
+PJ094206	DFFFWW 	C53H54N8O9	946.4014	NA	PeJP	NA	NA
+PJ094207	GSTTQQYY 	C41H58N10O16	946.4032	NA	PeJP	NA	NA
+PJ094208	VQQEEEW 	C41H58N10O16	946.4033	NA	PeJP	NA	NA
+PJ094209	SSSCDHRR 	C34H58N16O14S	946.4039	NA	PeJP	NA	NA
+PJ094210	GGGNNNQMR 	C34H58N16O14S	946.404	NA	PeJP	NA	NA
+PJ094211	TLEMMHW 	C42H62N10O11S2	946.4041	NA	PeJP	NA	NA
+PJ094212	GGGGPPPMMF 	C42H62N10O11S2	946.4042	NA	PeJP	NA	NA
+PJ094213	GNNDRWW 	C42H54N14O12	946.4046	NA	PeJP	NA	NA
+PJ094214	VMYYWW 	C50H58N8O9S	946.4048	NA	PeJP	NA	NA
+PJ094215	GHHHHHW 	C43H50N18O8	946.406	NA	PeJP	NA	NA
+PJ094216	GSSSSTKMY 	C38H62N10O16S	946.4066	NA	PeJP	NA	NA
+PJ094217	GGAPKEEEM 	C38H62N10O16S	946.4067	NA	PeJP	NA	NA
+PJ094218	SSLEYYW 	C46H58N8O14	946.4073	NA	PeJP	NA	NA
+PJ094219	GSCKKMMY 	C39H66N10O11S3	946.4075	NA	PeJP	NA	NA
+PJ094220	PCDDRRW 	C39H58N14O12S	946.408	NA	PeJP	NA	NA
+PJ094221	GLMMFYW 	C47H62N8O9S2	946.4082	NA	PeJP	NA	NA
+PJ094222	NQQWWW 	C47H54N12O10	946.4086	NA	PeJP	NA	NA
+PJ094223	NDEEERR 	C35H58N14O17	946.4105	NA	PeJP	NA	NA
+PJ094224	TLQEMYY 	C43H62N8O14S	946.4106	NA	PeJP	NA	NA
+PJ094225	VDKEMYY 	C43H62N8O14S	946.4107	NA	PeJP	NA	NA
+PJ094226	LYYYYY 	C51H58N6O12	946.4113	NA	PeJP	NA	NA
+PJ094227	PPTCCDRR 	C36H62N14O12S2	946.4114	NA	PeJP	NA	NA
+PJ094228	PKMMMFY 	C44H66N8O9S3	946.4115	NA	PeJP	NA	NA
+PJ094229	GPDMRWW 	C44H58N12O10S	946.412	NA	PeJP	NA	NA
+PJ094230	SPWWWW 	C52H54N10O8	946.4126	NA	PeJP	NA	NA
+PJ094231	GLLEEEEE 	C39H62N8O19	946.4132	NA	PeJP	NA	NA
+PJ094232	STTTLMMY 	C40H66N8O14S2	946.414	NA	PeJP	NA	NA
+PJ094233	AQEEERW 	C40H58N12O15	946.4145	NA	PeJP	NA	NA
+PJ094234	LKMMMMY 	C41H70N8O9S4	946.4149	NA	PeJP	NA	NA
+PJ094235	GCNNNNRR 	C33H58N18O13S	946.4152	NA	PeJP	NA	NA
+PJ094236	GPPTCMRW 	C41H62N12O10S2	946.4154	NA	PeJP	NA	NA
+PJ094237	NQQHHHF 	C41H54N16O11	946.4158	NA	PeJP	NA	NA
+PJ094238	GGGAQHHHF 	C41H54N16O11	946.4159	NA	PeJP	NA	NA
+PJ094239	AAPMWWW 	C49H58N10O8S	946.416	NA	PeJP	NA	NA
+PJ094240	GPTQEEMR 	C37H62N12O15S	946.4179	NA	PeJP	NA	NA
+MJ098417	Nepadutant 	C45H58N10O13	946.418481	NA	MeJP	NA	NA
+PJ094241	GLQEEWW 	C45H58N10O13	946.4185	NA	PeJP	NA	NA
+PJ094242	LEMMMHR 	C38H66N12O10S3	946.4187	NA	PeJP	NA	NA
+PJ094243	GGAPPMMMR 	C38H66N12O10S3	946.4188	NA	PeJP	NA	NA
+PJ094244	CNDHFRR 	C38H58N16O11S	946.4192	NA	PeJP	NA	NA
+PJ094245	PPCKMWW 	C46H62N10O8S2	946.4194	NA	PeJP	NA	NA
+PJ094246	GPQHHWW 	C46H54N14O9	946.4199	NA	PeJP	NA	NA
+PJ094247	DDDDRRR 	C34H58N16O16	946.4217	NA	PeJP	NA	NA
+PJ094248	PQKEEMW 	C42H62N10O13S	946.4219	NA	PeJP	NA	NA
+PJ094249	GPVYYYW 	C50H58N8O11	946.4225	NA	PeJP	NA	NA
+PJ094250	GSTCMHRR 	C35H62N16O11S2	946.4226	NA	PeJP	NA	NA
+PJ094251	VLMMMHW 	C43H66N10O8S3	946.4228	NA	PeJP	NA	NA
+PJ094252	GNMHFRW 	C43H58N14O9S	946.4232	NA	PeJP	NA	NA
+PJ094253	SSSSSTTKY 	C38H62N10O18	946.4244	NA	PeJP	NA	NA
+PJ094254	SSTCKKMY 	C39H66N10O13S2	946.4253	NA	PeJP	NA	NA
+PJ094255	GDEERRW 	C39H58N14O14	946.4257	NA	PeJP	NA	NA
+PJ094256	GGGGGATERW 	C39H58N14O14	946.4258	NA	PeJP	NA	NA
+PJ094257	ATLMYYW 	C47H62N8O11S	946.4259	NA	PeJP	NA	NA
+PJ094258	SCKMHRW 	C40H62N14O9S2	946.4266	NA	PeJP	NA	NA
+PJ094259	DKHHHHH 	C40H54N18O10	946.4271	NA	PeJP	NA	NA
+PJ094260	LLEEEEW 	C43H62N8O16	946.4284	NA	PeJP	NA	NA
+PJ094261	GSPDEMRR 	C36H62N14O14S	946.4291	NA	PeJP	NA	NA
+PJ094262	VLQMMYY 	C44H66N8O11S2	946.4293	NA	PeJP	NA	NA
+PJ094263	SSPERWW 	C44H58N12O12	946.4297	NA	PeJP	NA	NA
+PJ094264	AAEERWW 	C44H58N12O12	946.4298	NA	PeJP	NA	NA
+PJ094265	GPPCMMRR 	C37H66N14O9S3	946.43	NA	PeJP	NA	NA
+PJ094266	PPHHHHW 	C45H54N16O8	946.4311	NA	PeJP	NA	NA
+PJ094267	SPLLEEEM 	C40H66N8O16S	946.4318	NA	PeJP	NA	NA
+PJ094268	PPVLEMMM 	C41H70N8O11S3	946.4327	NA	PeJP	NA	NA
+PJ094269	PTQEMRW 	C41H62N12O12S	946.4331	NA	PeJP	NA	NA
+PJ094270	GGGGGGGVLMW 	C41H62N12O12S	946.4332	NA	PeJP	NA	NA
+PJ094271	LQEWWW 	C49H58N10O10	946.4338	NA	PeJP	NA	NA
+PJ094272	QKEEEER 	C37H62N12O17	946.4356	NA	PeJP	NA	NA
+PJ094273	GGGGGKKEEE 	C37H62N12O17	946.4357	NA	PeJP	NA	NA
+PJ094274	GPVQEMMR 	C38H66N12O12S2	946.4365	NA	PeJP	NA	NA
+PJ094275	SNNDRRW 	C38H58N16O13	946.437	NA	PeJP	NA	NA
+PJ094276	APKEMWW 	C46H62N10O10S	946.4371	NA	PeJP	NA	NA
+PJ094277	GGPTLMWW 	C46H62N10O10S	946.4372	NA	PeJP	NA	NA
+PJ094278	VFFYWW 	C54H58N8O8	946.4378	NA	PeJP	NA	NA
+PJ094279	SHHHHHR 	C39H54N20O9	946.4383	NA	PeJP	NA	NA
+PJ094280	VQKEEEW 	C42H62N10O15	946.4396	NA	PeJP	NA	NA
+PJ094281	LNKEEEW 	C42H62N10O15	946.4397	NA	PeJP	NA	NA
+PJ094282	SSSSMHRR 	C35H62N16O13S	946.4403	NA	PeJP	NA	NA
+PJ094283	GGGGQEMRR 	C35H62N16O13S	946.4404	NA	PeJP	NA	NA
+PJ094284	GPPTKMMW 	C43H66N10O10S2	946.4405	NA	PeJP	NA	NA
+PJ094285	DERRWW 	C43H58N14O11	946.441	NA	PeJP	NA	NA
+3721	NA	WWPKHHG	946.441	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ094286	GLMFFFW 	C51H62N8O8S	946.4412	NA	PeJP	NA	NA
+PJ094287	GPKKEEEM 	C39H66N10O15S	946.443	NA	PeJP	NA	NA
+PJ094288	TTTLYYW 	C47H62N8O13	946.4437	NA	PeJP	NA	NA
+PJ094289	ATLLMMMH 	C40H70N10O10S3	946.4439	NA	PeJP	NA	NA
+PJ094290	AQQQMRW 	C40H62N14O11S	946.4443	NA	PeJP	NA	NA
+PJ094291	SPDMRRW 	C40H62N14O11S	946.4444	NA	PeJP	NA	NA
+PJ094292	PKMMFFF 	C48H66N8O8S2	946.4445	NA	PeJP	NA	NA
+PJ094293	VDRWWW 	C48H58N12O9	946.445	NA	PeJP	NA	NA
+PJ094294	SSSSSSLHR 	C36H62N14O16	946.4468	NA	PeJP	NA	NA
+PJ094295	TQEEERR 	C36H62N14O16	946.4469	NA	PeJP	NA	NA
+PJ094296	TLKEMYY 	C44H66N8O13S	946.447	NA	PeJP	NA	NA
+PJ094297	PPVVEEMF 	C44H66N8O13S	946.4471	NA	PeJP	NA	NA
+PJ094298	PQEMMRR 	C37H66N14O11S2	946.4477	NA	PeJP	NA	NA
+PJ094299	GGGGGPKMMR 	C37H66N14O11S2	946.4478	NA	PeJP	NA	NA
+PJ094300	LKMMMFF 	C45H70N8O8S3	946.4479	NA	PeJP	NA	NA
+PJ094301	NQQQHHR 	C37H58N18O12	946.4482	NA	PeJP	NA	NA
+PJ094302	APTMRWW 	C45H62N12O9S	946.4484	NA	PeJP	NA	NA
+PJ094303	ALWWWW 	C53H58N10O7	946.449	NA	PeJP	NA	NA
+PJ094304	SVLLEEEE 	C40H66N8O18	946.4496	NA	PeJP	NA	NA
+PJ094305	PVVLEEMM 	C41H70N8O13S2	946.4504	NA	PeJP	NA	NA
+PJ094306	AKEEERW 	C41H62N12O14	946.4509	NA	PeJP	NA	NA
+PJ094307	CNNERRR 	C34H62N18O12S	946.4516	NA	PeJP	NA	NA
+PJ094308	SKKMMHW 	C42H66N12O9S2	946.4517	NA	PeJP	NA	NA
+PJ094309	PVQMMRW 	C42H66N12O9S2	946.4518	NA	PeJP	NA	NA
+PJ094310	SPQHHRW 	C42H58N16O10	946.4522	NA	PeJP	NA	NA
+PJ094311	GSPPTTTMR 	C38H66N12O14S	946.4542	NA	PeJP	NA	NA
+PJ094312	GPTKEEMR 	C38H66N12O14S	946.4543	NA	PeJP	NA	NA
+PJ094313	GLKEEWW 	C46H62N10O12	946.4549	NA	PeJP	NA	NA
+PJ094314	GPPKMMMR 	C39H70N12O9S3	946.4551	NA	PeJP	NA	NA
+PJ094315	GNQMRRW 	C39H62N16O10S	946.4556	NA	PeJP	NA	NA
+PJ094316	ALHHHFW 	C47H58N14O8	946.4562	NA	PeJP	NA	NA
+PJ094317	GPKHHWW 	C47H58N14O8	946.4563	NA	PeJP	NA	NA
+PJ094318	SDEERRR 	C35H62N16O15	946.4581	NA	PeJP	NA	NA
+PJ094319	PKKEEMW 	C43H66N10O12S	946.4583	NA	PeJP	NA	NA
+PJ094320	GVLFYYW 	C51H62N8O10	946.4589	NA	PeJP	NA	NA
+PJ094321	PCEMRRR 	C36H66N16O10S2	946.459	NA	PeJP	NA	NA
+PJ094322	NNNHHRR 	C36H58N20O11	946.4594	NA	PeJP	NA	NA
+PJ094323	GGGGNHHRR 	C36H58N20O11	946.4595	NA	PeJP	NA	NA
+PJ094324	ACKHFRW 	C44H62N14O8S	946.4596	NA	PeJP	NA	NA
+PJ094325	GVKKEEEE 	C39H66N10O17	946.4608	NA	PeJP	NA	NA
+PJ094326	TTTLLMMH 	C40H70N10O12S2	946.4616	NA	PeJP	NA	NA
+PJ094327	SPPKKEMM 	C40H70N10O12S2	946.4617	NA	PeJP	NA	NA
+PJ094328	ATEERRW 	C40H62N14O13	946.4621	NA	PeJP	NA	NA
+PJ094329	GGGGGGAAPPLH 	C40H62N14O13	946.4622	NA	PeJP	NA	NA
+PJ094330	PVKMFYY 	C48H66N8O10S	946.4623	NA	PeJP	NA	NA
+PJ094331	APMMRRW 	C41H66N14O8S2	946.463	NA	PeJP	NA	NA
+PJ094332	SSTTLLYY 	C44H66N8O15	946.4648	NA	PeJP	NA	NA
+PJ094333	VQEEMRR 	C37H66N14O13S	946.4655	NA	PeJP	NA	NA
+PJ094334	VLKMMYY 	C45H70N8O10S2	946.4657	NA	PeJP	NA	NA
+PJ094335	GTLERWW 	C45H62N12O11	946.4661	NA	PeJP	NA	NA
+PJ094336	GGGKKEWW 	C45H62N12O11	946.4662	NA	PeJP	NA	NA
+PJ094337	GCNRRRW 	C38H62N18O9S	946.4668	NA	PeJP	NA	NA
+PJ094338	ALLLEEEM 	C41H70N8O15S	946.4682	NA	PeJP	NA	NA
+PJ094339	GSSNDRRR 	C34H62N18O14	946.4693	NA	PeJP	NA	NA
+PJ094340	PTKEMRW 	C42H66N12O11S	946.4695	NA	PeJP	NA	NA
+PJ094341	LKEWWW 	C50H62N10O9	946.4702	NA	PeJP	NA	NA
+PJ094342	KKEEEER 	C38H66N12O16	946.472	NA	PeJP	NA	NA
+PJ094343	GPVKEMMR 	C39H70N12O11S2	946.4729	NA	PeJP	NA	NA
+PJ094344	SSQQRRW 	C39H62N16O12	946.4733	NA	PeJP	NA	NA
+PJ094345	GGSTQRRW 	C39H62N16O12	946.4734	NA	PeJP	NA	NA
+PJ094346	SPLKMWW 	C47H66N10O9S	946.4735	NA	PeJP	NA	NA
+PJ094347	VKKEEEW 	C43H66N10O14	946.476	NA	PeJP	NA	NA
+PJ094348	GGGAAPLLEY 	C43H66N10O14	946.4761	NA	PeJP	NA	NA
+PJ094349	AEEMRRR 	C36H66N16O12S	946.4767	NA	PeJP	NA	NA
+PJ094350	GGGGGGACKKR 	C36H66N16O12S	946.4768	NA	PeJP	NA	NA
+PJ094351	AAPLKMMW 	C44H70N10O9S2	946.4769	NA	PeJP	NA	NA
+MJ098418	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C46H74O20	946.477344	NA	MeJP	NA	NA
+MJ098419	3,4,22,28-Tetrahydroxy-29-norlanosta-8,24-dien-30-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-L-arabinopyranosyl-(1?2)-?-D-galactopyranoside] 	C46H74O20	946.477344	NA	MeJP	NA	NA
+MJ098420	Pregna-5,14-diene-3,20-diol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H74O20	946.477344	NA	MeJP	NA	NA
+PJ094352	GSQKRWW 	C44H62N14O10	946.4774	NA	PeJP	NA	NA
+PJ094353	SPVKKEEM 	C40H70N10O14S	946.4794	NA	PeJP	NA	NA
+PJ094354	PTLKYYY 	C48H66N8O12	946.48	NA	PeJP	NA	NA
+PJ094355	GGVLLYYY 	C48H66N8O12	946.4801	NA	PeJP	NA	NA
+PJ094356	PPCLKKMM 	C41H74N10O9S3	946.4803	NA	PeJP	NA	NA
+PJ094357	AVEMRRW 	C41H66N14O10S	946.4807	NA	PeJP	NA	NA
+PJ094358	GLEMRRW 	C41H66N14O10S	946.4808	NA	PeJP	NA	NA
+PJ094359	TLRWWW 	C49H62N12O8	946.4814	NA	PeJP	NA	NA
+PJ094360	ASSLEERR 	C37H66N14O15	946.4832	NA	PeJP	NA	NA
+PJ094361	TKEEERR 	C37H66N14O15	946.4833	NA	PeJP	NA	NA
+PJ094362	PPVVLEMY 	C45H70N8O12S	946.4834	NA	PeJP	NA	NA
+PJ094363	PKEMMRR 	C38H70N14O10S2	946.4841	NA	PeJP	NA	NA
+PJ094364	VNEHHRR 	C38H62N18O11	946.4846	NA	PeJP	NA	NA
+PJ094365	GVLMRWW 	C46H66N12O8S	946.4848	NA	PeJP	NA	NA
+PJ094366	TTLLLEEE 	C41H70N8O17	946.4859	NA	PeJP	NA	NA
+PJ094367	PTLLLEMM 	C42H74N8O12S2	946.4868	NA	PeJP	NA	NA
+PJ094368	SLKEERW 	C42H66N12O13	946.4873	NA	PeJP	NA	NA
+PJ094369	SNQMRRR 	C35H66N18O11S	946.488	NA	PeJP	NA	NA
+PJ094370	PVKMMRW 	C43H70N12O8S2	946.4881	NA	PeJP	NA	NA
+PJ094371	SPKHHRW 	C43H62N16O9	946.4886	NA	PeJP	NA	NA
+PJ094372	AVVDKEMR 	C39H70N12O13S	946.4906	NA	PeJP	NA	NA
+PJ094373	AALKEEMR 	C39H70N12O13S	946.4907	NA	PeJP	NA	NA
+PJ094374	SVLKEWW 	C47H66N10O11	946.4913	NA	PeJP	NA	NA
+PJ094375	GNKMRRW 	C40H66N16O9S	946.492	NA	PeJP	NA	NA
+PJ094376	PFRRWW 	C48H62N14O7	946.4926	NA	PeJP	NA	NA
+PJ094377	TTEERRR 	C36H66N16O14	946.4945	NA	PeJP	NA	NA
+PJ094378	SKKKMYY 	C44H70N10O11S	946.4946	NA	PeJP	NA	NA
+PJ094379	LLQKEMW 	C44H70N10O11S	946.4947	NA	PeJP	NA	NA
+PJ094380	PVKFFFY 	C52H66N8O9	946.4953	NA	PeJP	NA	NA
+PJ094381	PTMMRRR 	C37H70N16O9S2	946.4954	NA	PeJP	NA	NA
+PJ094382	GEHHRRR 	C37H62N20O10	946.4958	NA	PeJP	NA	NA
+PJ094383	LMRRWW 	C45H66N14O7S	946.496	NA	PeJP	NA	NA
+PJ094384	SSPTTTLLQ 	C40H70N10O16	946.4971	NA	PeJP	NA	NA
+PJ094385	ATLKKEEE 	C40H70N10O16	946.4972	NA	PeJP	NA	NA
+PJ094386	APLKKEMM 	C41H74N10O11S2	946.498	NA	PeJP	NA	NA
+PJ094387	GGGGVLLLMM 	C41H74N10O11S2	946.4981	NA	PeJP	NA	NA
+PJ094388	STLERRW 	C41H66N14O12	946.4985	NA	PeJP	NA	NA
+PJ094389	VLKMFFY 	C49H70N8O9S	946.4987	NA	PeJP	NA	NA
+PJ094390	SCNRRRR 	C34H66N20O10S	946.4992	NA	PeJP	NA	NA
+PJ094391	GVHHRRW 	C42H62N18O8	946.4999	NA	PeJP	NA	NA
+PJ094392	APLLLEEY 	C45H70N8O14	946.5012	NA	PeJP	NA	NA
+PJ094393	VKEEMRR 	C38H70N14O12S	946.5019	NA	PeJP	NA	NA
+PJ094394	PPVLLMMF 	C46H74N8O9S2	946.5021	NA	PeJP	NA	NA
+PJ094395	SSLLRWW 	C46H66N12O10	946.5025	NA	PeJP	NA	NA
+PJ094396	SLLLLEEM 	C42H74N8O14S	946.5046	NA	PeJP	NA	NA
+PJ094397	PVLLLMMM 	C43H78N8O9S3	946.5054	NA	PeJP	NA	NA
+PJ094398	GSSTQRRR 	C35H66N18O13	946.5057	NA	PeJP	NA	NA
+PJ094399	VVKEMRW 	C43H70N12O10S	946.5059	NA	PeJP	NA	NA
+PJ094400	VVLHFFW 	C51H66N10O8	946.5065	NA	PeJP	NA	NA
+PJ094401	APLKFWW 	C51H66N10O8	946.5066	NA	PeJP	NA	NA
+PJ094402	ATTLKEER 	C39H70N12O15	946.5084	NA	PeJP	NA	NA
+PJ094403	APTLKMMR 	C40H74N12O10S2	946.5093	NA	PeJP	NA	NA
+PJ094404	SSQKRRW 	C40H66N16O11	946.5097	NA	PeJP	NA	NA
+PJ094405	GGGGPKRRY 	C40H66N16O11	946.5098	NA	PeJP	NA	NA
+PJ094406	ALLKMWW 	C48H70N10O8S	946.5099	NA	PeJP	NA	NA
+PJ094407	HHRRRW 	C41H62N20O7	946.5111	NA	PeJP	NA	NA
+PJ094408	GTTLLKEW 	C44H70N10O13	946.5124	NA	PeJP	NA	NA
+PJ094409	SLEMRRR 	C37H70N16O11S	946.5131	NA	PeJP	NA	NA
+MJ098421	12-Oleanene-3,16,21,22,28-pentol, 3-O-[?-D-Xylopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C47H78O19	946.51373	NA	MeJP	NA	NA
+MJ098422	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-?-D-Xylopyranoside, 6,25-di-O-?-D-glucopyranoside 	C47H78O19	946.51373	NA	MeJP	NA	NA
+MJ098423	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 25-O-?-D-glucopyranoside 	C47H78O19	946.51373	NA	MeJP	NA	NA
+MJ098424	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside 	C47H78O19	946.51373	NA	MeJP	NA	NA
+MJ098425	20,25-Epoxycycloartane-3,6,16,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-?-D-glucopyranoside 	C47H78O19	946.51373	NA	MeJP	NA	NA
+MJ098426	Furostane-3,17,22,26-tetrol, 22-Me ether, 26-Ac, 3-O-[?-L-arabinopyranosyl-(1?3)[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H78O19	946.51373	NA	MeJP	NA	NA
+PJ094410	GSKKRWW 	C45H66N14O9	946.5138	NA	PeJP	NA	NA
+PJ094411	GLLKKEEM 	C41H74N10O13S	946.5158	NA	PeJP	NA	NA
+PJ094412	VVLKYYY 	C49H70N8O11	946.5164	NA	PeJP	NA	NA
+PJ094413	PPVVLEFF 	C49H70N8O11	946.5165	NA	PeJP	NA	NA
+PJ094414	SVLMRRW 	C42H70N14O9S	946.5171	NA	PeJP	NA	NA
+PJ094415	SSSLLERR 	C38H70N14O14	946.5196	NA	PeJP	NA	NA
+PJ094416	GGGGGGTTKKK 	C38H70N14O14	946.5197	NA	PeJP	NA	NA
+PJ094417	PPTLLLMY 	C46H74N8O11S	946.5198	NA	PeJP	NA	NA
+PJ094418	LLQMMRR 	C39H74N14O9S2	946.5205	NA	PeJP	NA	NA
+PJ094419	GQQFRRR 	C39H66N18O10	946.521	NA	PeJP	NA	NA
+PJ094420	VVLLLEMM 	C43H78N8O11S2	946.5232	NA	PeJP	NA	NA
+PJ094421	TQKKKEW 	C43H70N12O12	946.5236	NA	PeJP	NA	NA
+PJ094422	GTTTLLRW 	C43H70N12O12	946.5237	NA	PeJP	NA	NA
+PJ094423	SNKMRRR 	C36H70N18O10S	946.5243	NA	PeJP	NA	NA
+PJ094424	GGSKMRRR 	C36H70N18O10S	946.5244	NA	PeJP	NA	NA
+PJ094425	PPVHRRW 	C44H66N16O8	946.525	NA	PeJP	NA	NA
+PJ094426	GTLLKEMR 	C40H74N12O12S	946.527	NA	PeJP	NA	NA
+PJ094427	TTLLKWW 	C48H70N10O10	946.5277	NA	PeJP	NA	NA
+PJ094428	ACKKRRW 	C41H70N16O8S	946.5284	NA	PeJP	NA	NA
+MJ098427	Pregnane-3,12,14,17,20-pentol, 20-Benzoyl, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl] 	C51H78O16	946.528986	NA	MeJP	NA	NA
+PJ094429	GSSKKERR 	C37H70N16O13	946.5309	NA	PeJP	NA	NA
+PJ094430	LLKKEMW 	C45H74N10O10S	946.5311	NA	PeJP	NA	NA
+PJ094431	VVMMRRR 	C38H74N16O8S2	946.5317	NA	PeJP	NA	NA
+PJ094432	SVHHRRR 	C38H66N20O9	946.5322	NA	PeJP	NA	NA
+PJ094433	VTTLKKEE 	C41H74N10O15	946.5335	NA	PeJP	NA	NA
+PJ094434	STLLKKEE 	C41H74N10O15	946.5336	NA	PeJP	NA	NA
+PJ094435	SPLLKKMM 	C42H78N10O10S2	946.5344	NA	PeJP	NA	NA
+PJ094436	SDKKKRW 	C42H70N14O11	946.5349	NA	PeJP	NA	NA
+PJ094437	SPLLLLEY 	C46H74N8O13	946.5376	NA	PeJP	NA	NA
+PJ094438	GTTLLMRR 	C39H74N14O11S	946.5383	NA	PeJP	NA	NA
+PJ094439	ATKKKWW 	C47H70N12O9	946.5389	NA	PeJP	NA	NA
+PJ094440	GSSTKRRR 	C36H70N18O12	946.5421	NA	PeJP	NA	NA
+PJ094441	TLLKMRW 	C44H74N12O9S	946.5423	NA	PeJP	NA	NA
+PJ094442	STTLLKER 	C40H74N12O14	946.5448	NA	PeJP	NA	NA
+PJ094443	GVLLKMMR 	C41H78N12O9S2	946.5457	NA	PeJP	NA	NA
+PJ094444	SSKKRRW 	C41H70N16O10	946.5461	NA	PeJP	NA	NA
+MJ098428	Antibiotic LI-F; Antibiotic LI-F03A 	C45H74N10O12	946.548767	NA	MeJP	NA	NA
+PJ094445	SSTLLLKW 	C45H74N10O12	946.5488	NA	PeJP	NA	NA
+PJ094446	TQKKMRR 	C38H74N16O10S	946.5495	NA	PeJP	NA	NA
+C08944	Ginsenoside Re	C48H82O18	946.5501	NA	KEGG	NA	NA
+PJ094447	VLKKHHW 	C46H70N14O8	946.5501	NA	PeJP	NA	NA
+MJ098429	20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098430	20,25-Epoxydammarane-3,12,23,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098431	Antibiotic K 41 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098432	Dammar-24-ene-2,3,12,20-tetrol, 3-O-?-D-Glucopyranoside, 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098433	Dammar-24-ene-3,12,20-triol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098434	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098435	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098436	Dammar-24-ene-3,19,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098437	Dammar-24-ene-3,6,12,20-tetrol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O18	946.550115	NA	MeJP	NA	NA
+MJ098438	Dammarane-3,12,20,24,25-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside], 12-ketone 	C48H82O18	946.550115	NA	MeJP	NA	NA
+PJ094448	GLLFRRW 	C46H70N14O8	946.5502	NA	PeJP	NA	NA
+PJ094449	SVLLKKEM 	C42H78N10O12S	946.5522	NA	PeJP	NA	NA
+PJ094450	PPVVLLFY 	C50H74N8O10	946.5528	NA	PeJP	NA	NA
+PJ094451	AKKKMRW 	C43H74N14O8S	946.5535	NA	PeJP	NA	NA
+PJ094452	STTTLLRR 	C39H74N14O13	946.556	NA	PeJP	NA	NA
+PJ094453	PVVLLLMY 	C47H78N8O10S	946.5562	NA	PeJP	NA	NA
+PJ094454	LLKMMRR 	C40H78N14O8S2	946.5569	NA	PeJP	NA	NA
+PJ094455	GQKFRRR 	C40H70N18O9	946.5574	NA	PeJP	NA	NA
+PJ094456	TLLLLLMM 	C44H82N8O10S2	946.5596	NA	PeJP	NA	NA
+PJ094457	TKKKKEW 	C44H74N12O11	946.56	NA	PeJP	NA	NA
+PJ094458	GGGVLLLRY 	C44H74N12O11	946.5601	NA	PeJP	NA	NA
+PJ094459	TCKKRRR 	C37H74N18O9S	946.5607	NA	PeJP	NA	NA
+PJ094460	SSLLLKMR 	C41H78N12O11S	946.5634	NA	PeJP	NA	NA
+PJ094461	PLLKKYW 	C49H74N10O9	946.5641	NA	PeJP	NA	NA
+PJ094462	GTTTKKRR 	C38H74N16O12	946.5673	NA	PeJP	NA	NA
+PJ094463	APLLKKMF 	C46H78N10O9S	946.5674	NA	PeJP	NA	NA
+PJ094464	SSSSLLLLK 	C42H78N10O14	946.5699	NA	PeJP	NA	NA
+PJ094465	ALLLKKMM 	C43H82N10O9S2	946.5708	NA	PeJP	NA	NA
+PJ094466	TTKKKRW 	C43H74N14O10	946.5713	NA	PeJP	NA	NA
+PJ094467	ALLLLLEY 	C47H78N8O12	946.574	NA	PeJP	NA	NA
+PJ094468	KKKKEMR 	C40H78N14O10S	946.5746	NA	PeJP	NA	NA
+PJ094469	GSLKKKMR 	C40H78N14O10S	946.5747	NA	PeJP	NA	NA
+PJ094470	VVLKFRW 	C48H74N12O8	946.5753	NA	PeJP	NA	NA
+PJ094471	VKKKKMW 	C45H78N12O8S	946.5787	NA	PeJP	NA	NA
+PJ094472	SSLKKKKE 	C41H78N12O13	946.5812	NA	PeJP	NA	NA
+PJ094473	ALLRRRY 	C42H74N16O9	946.5825	NA	PeJP	NA	NA
+PJ094474	SPVLLKKY 	C46H78N10O11	946.5852	NA	PeJP	NA	NA
+PJ094475	TKKKMRR 	C39H78N16O9S	946.5859	NA	PeJP	NA	NA
+PJ094476	TTLLLKKM 	C43H82N10O11S	946.5886	NA	PeJP	NA	NA
+PJ094477	PVVLLLFF 	C51H78N8O9	946.5892	NA	PeJP	NA	NA
+PJ094478	SSTLKKKR 	C40H78N14O12	946.5924	NA	PeJP	NA	NA
+PJ094479	VVLLLLMF 	C48H82N8O9S	946.5926	NA	PeJP	NA	NA
+PJ094480	GKKFRRR 	C41H74N18O8	946.5938	NA	PeJP	NA	NA
+PJ094481	AALLLKRY 	C45H78N12O10	946.5964	NA	PeJP	NA	NA
+PJ094482	ATLKKKKM 	C42H82N12O10S	946.5998	NA	PeJP	NA	NA
+PJ094483	LLLKKFW 	C50H78N10O8	946.6005	NA	PeJP	NA	NA
+PJ094484	VLLKRRY 	C44H78N14O9	946.6077	NA	PeJP	NA	NA
+PJ094485	SLLLLLLY 	C48H82N8O11	946.6103	NA	PeJP	NA	NA
+PJ094486	GCKKKKKK 	C41H82N14O9S	946.611	NA	PeJP	NA	NA
+PJ094487	TTTLKKKK 	C42H82N12O12	946.6176	NA	PeJP	NA	NA
+PJ094488	GLLLLKKY 	C47H82N10O10	946.6216	NA	PeJP	NA	NA
+MJ098439	Pestahivin; Demethoxy 	C52H82N8O8	946.625561	NA	MeJP	NA	NA
+PJ094489	GVLKKKKF 	C46H82N12O9	946.6328	NA	PeJP	NA	NA
+PJ094490	LKKKKFR 	C45H82N14O8	946.644	NA	PeJP	NA	NA
+MJ098440	Aplyronine C 	C53H90N2O12	946.649376	NA	MeJP	NA	NA
+PJ094491	LLLLLLLH 	C48H86N10O9	946.658	NA	PeJP	NA	NA
+HMDB10541	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H94O6	946.705017	NA	HMDB2010	NA	NA
+HMDB05399	TG(18:0/20:0/20:0)[iso3]	C61H118O6	946.89282	http://www.hmdb.ca/metabolites/HMDB05399	HMDB	NA	NA
+HMDB05399	TG(18:0/20:0/20:0)[iso3]	C61H118O6	946.89282	HMDB05399	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05399	TG(18:0/20:0/20:0)[iso3]	C61H118O6	946.892822	NA	HMDB2010	NA	NA
+PJ094492	ACCCCCCCH 	C30H49N11O10S7	947.1709	NA	PeJP	NA	NA
+PJ094493	GCCCCDDDD 	C30H45N9O18S4	947.1766	NA	PeJP	NA	NA
+PJ094494	SSCCCCCCH 	C30H49N11O12S6	947.1887	NA	PeJP	NA	NA
+MetaCyc04339	&Delta;2,5-3,4,4-trimethylpimelyl-CoA []	C31H48N7O19P3S1	947.193853	NA	metacyc	NA	NA
+MetaCyc04340	5-hydroxy-3,4,4-trimethyl-&Delta;2-pimelyl-CoA-&Delta;-lactone [5-hydroxy-3,4,4-trimethyl-&delta;2-pimelyl-CoA-&delta;-lactone;]	C31H48N7O19P3S1	947.193853	NA	metacyc	NA	NA
+PJ094495	SPCCCCCDD 	C31H49N9O15S5	947.1952	NA	PeJP	NA	NA
+PJ094496	GCCCCCNNE 	C30H49N11O14S5	947.2064	NA	PeJP	NA	NA
+PJ094497	GGGCCCCCNE 	C30H49N11O14S5	947.2065	NA	PeJP	NA	NA
+PJ094498	GSCCCDDDM 	C31H49N9O17S4	947.213	NA	PeJP	NA	NA
+PJ094499	GPCCCCCEM 	C32H53N9O12S6	947.2138	NA	PeJP	NA	NA
+PJ094500	CCCCCNNW 	C34H49N11O11S5	947.2217	NA	PeJP	NA	NA
+PJ094501	SSCCCCNND 	C30H49N11O16S4	947.2242	NA	PeJP	NA	NA
+PJ094502	SCCCCDEW 	C35H49N9O14S4	947.2282	NA	PeJP	NA	NA
+PJ094503	PCCCCCMW 	C36H53N9O9S6	947.2291	NA	PeJP	NA	NA
+PJ094504	SSSCCCDDE 	C31H49N9O19S3	947.2307	NA	PeJP	NA	NA
+PJ094505	CCCNDEMM 	C32H53N9O14S5	947.2316	NA	PeJP	NA	NA
+MJ098441	Aesculus hippocastanum Quercetin indoxylacetylglycoside 	C42H45NO24	947.233151	NA	MeJP	NA	NA
+PJ094506	CCCCDDMR 	C31H53N11O13S5	947.2428	NA	PeJP	NA	NA
+PJ094507	CCCNDDEF 	C35H49N9O16S3	947.246	NA	PeJP	NA	NA
+PJ094508	GCCCDMMW 	C36H53N9O11S5	947.2469	NA	PeJP	NA	NA
+PJ094509	ATTCCCCDE 	C32H53N9O16S4	947.2493	NA	PeJP	NA	NA
+PJ094510	GSSCCDDMM 	C32H53N9O16S4	947.2494	NA	PeJP	NA	NA
+PJ094511	GPTCCCCMM 	C33H57N9O11S6	947.2502	NA	PeJP	NA	NA
+PJ094512	CCCCNEHH 	C33H49N13O12S4	947.2507	NA	PeJP	NA	NA
+PJ094513	GSCCCCCNR 	C30H53N13O12S5	947.2541	NA	PeJP	NA	NA
+PJ094514	CNDDDDDH 	C33H45N11O20S	947.2564	NA	PeJP	NA	NA
+PJ094515	CCCNNNDY 	C34H49N11O15S3	947.2572	NA	PeJP	NA	NA
+PJ094516	SSSCCCNNM 	C31H53N11O15S4	947.2606	NA	PeJP	NA	NA
+PJ094517	GCCCDDFW 	C39H49N9O13S3	947.2612	NA	PeJP	NA	NA
+PJ094518	SCCNDDEY 	C35H49N9O18S2	947.2637	NA	PeJP	NA	NA
+PJ094519	SSCCCEMW 	C36H53N9O13S4	947.2646	NA	PeJP	NA	NA
+PJ094520	GCCCCHHW 	C37H49N13O9S4	947.266	NA	PeJP	NA	NA
+HMDB04257	3Z-dodecenoyl-CoA	C33H56N7O17P3S	947.2666	http://www.hmdb.ca/metabolites/HMDB04257	HMDB	NA	NA
+C02944	3-cis-Dodecenoyl-CoA	C33H56N7O17P3S	947.2666	NA	KEGG	NA	NA
+C03221	2-trans-Dodecenoyl-CoA	C33H56N7O17P3S	947.2666	NA	KEGG	NA	NA
+HMDB04257	3Z-dodecenoyl-CoA	C33H56N7O17P3S	947.2666	HMDB04257	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04257	3Z-dodecenoyl-CoA	C33H56N7O17P3S	947.266602	NA	HMDB2010	NA	NA
+HMDB11689	Trans-2,3-dehydrododecanoyl-CoA	C33H56N7O17P3S	947.266602	NA	HMDB2010	NA	NA
+MJ098442	2-trans-Dodecenoyl-CoA 	C33H56N7O17P3S	947.266623	NA	MeJP	NA	NA
+PJ094521	SSSSCCDEM 	C32H53N9O18S3	947.2671	NA	PeJP	NA	NA
+PJ094522	SCCNEMMM 	C33H57N9O13S5	947.268	NA	PeJP	NA	NA
+PJ094523	GSSCCCDHH 	C33H49N13O14S3	947.2685	NA	PeJP	NA	NA
+PJ094524	CCCMYYY 	C41H53N7O11S4	947.2686	NA	PeJP	NA	NA
+PJ094525	GSPCCDDDH 	C34H49N11O17S2	947.275	NA	PeJP	NA	NA
+PJ094526	CCCNNNMF 	C35H53N11O12S4	947.2758	NA	PeJP	NA	NA
+PJ094527	GGGGCCCNMF 	C35H53N11O12S4	947.2759	NA	PeJP	NA	NA
+PJ094528	GSSSSSCCCQ 	C31H53N11O17S3	947.2783	NA	PeJP	NA	NA
+PJ094529	GSCCDDYW 	C39H49N9O15S2	947.279	NA	PeJP	NA	NA
+PJ094530	SCCCDMMR 	C32H57N11O12S5	947.2792	NA	PeJP	NA	NA
+PJ094531	APCCCCYW 	C40H53N9O10S4	947.2799	NA	PeJP	NA	NA
+PJ094532	GSSSCDDDY 	C35H49N9O20S	947.2815	NA	PeJP	NA	NA
+C16296	Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside	C44H51O23	947.2821	NA	KEGG	NA	NA
+FL7AAIGL0022	Negretein	C44H51O23	947.28211	66989-38-6	knapsack	NA	NA
+FL7AAIGL0034	Malvidin 3-O-[6-O-(4-O-Z-p-coumaroyl-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside	C44H51O23	947.28211	226951-59-3	knapsack	NA	NA
+PJ094533	GCNDDMMY 	C36H53N9O15S3	947.2824	NA	PeJP	NA	NA
+PJ094534	GSCCMMMW 	C37H57N9O10S5	947.2832	NA	PeJP	NA	NA
+PJ094535	GSSSCDMMM 	C33H57N9O15S4	947.2857	NA	PeJP	NA	NA
+PJ094536	CCNNNDEH 	C33H49N13O16S2	947.2862	NA	PeJP	NA	NA
+PJ094537	GCNMMMMM 	C34H61N9O10S6	947.2866	NA	PeJP	NA	NA
+PJ094538	SCCCQMHH 	C34H53N13O11S4	947.2871	NA	PeJP	NA	NA
+PJ094539	PPCCCCHW 	C39H53N11O9S4	947.2911	NA	PeJP	NA	NA
+PJ094540	SNDDDDMH 	C34H49N11O19S	947.2927	NA	PeJP	NA	NA
+PJ094541	GCCCDERY 	C35H53N11O14S3	947.2936	NA	PeJP	NA	NA
+PJ094542	SSSSSSSCCN 	C31H53N11O19S2	947.2961	NA	PeJP	NA	NA
+PJ094543	GCNDDDFY 	C39H49N9O17S	947.2968	NA	PeJP	NA	NA
+PJ094544	SSSCCCCQK 	C32H57N11O14S4	947.297	NA	PeJP	NA	NA
+PJ094545	CCNEMYW 	C40H53N9O12S3	947.2976	NA	PeJP	NA	NA
+PJ094546	ACCCMMMR 	C33H61N11O9S6	947.2978	NA	PeJP	NA	NA
+PJ094547	SCCCCHHR 	C33H53N15O10S4	947.2983	NA	PeJP	NA	NA
+PJ094548	PNDDDDEE 	C35H49N9O22	947.2993	NA	PeJP	NA	NA
+PJ094549	SSCNDEMY 	C36H53N9O17S2	947.3001	NA	PeJP	NA	NA
+PJ094550	SSTCCMMW 	C37H57N9O12S4	947.301	NA	PeJP	NA	NA
+PJ094551	GCCNNDHW 	C37H49N13O13S2	947.3015	NA	PeJP	NA	NA
+PJ094552	CCCFFYY 	C45H53N7O10S3	947.3016	NA	PeJP	NA	NA
+PJ094553	DDDEEYY 	C40H49N7O20	947.3033	NA	PeJP	NA	NA
+PJ094554	SSSSSCEMM 	C33H57N9O17S3	947.3035	NA	PeJP	NA	NA
+PJ094555	GSSCNNDDH 	C33H49N13O18S	947.304	NA	PeJP	NA	NA
+PJ094556	SSCQMMMM 	C34H61N9O12S5	947.3044	NA	PeJP	NA	NA
+PJ094557	PCCCDDHR 	C34H53N13O13S3	947.3048	NA	PeJP	NA	NA
+PJ094558	GGGGGPTCCCH 	C34H53N13O13S3	947.3049	NA	PeJP	NA	NA
+PJ094559	DEEMMMY 	C38H57N7O15S3	947.3075	NA	PeJP	NA	NA
+PJ094560	GSCDDEHW 	C38H49N11O16S	947.308	NA	PeJP	NA	NA
+PJ094561	CCCDRYW 	C39H53N11O11S3	947.3088	NA	PeJP	NA	NA
+PJ094562	GPCCDMHW 	C39H53N11O11S3	947.3089	NA	PeJP	NA	NA
+PJ094563	GSSSDDDEH 	C34H49N11O21	947.3105	NA	PeJP	NA	NA
+PJ094564	GSSSCCNQY 	C35H53N11O16S2	947.3113	NA	PeJP	NA	NA
+PJ094565	SSCCDDRY 	C35H53N11O16S2	947.3114	NA	PeJP	NA	NA
+PJ094566	PTCCCCRY 	C36H57N11O11S4	947.3122	NA	PeJP	NA	NA
+PJ094567	GCCMYWW 	C44H53N9O9S3	947.3129	NA	PeJP	NA	NA
+PJ094568	GPDDDDEW 	C39H49N9O19	947.3145	NA	PeJP	NA	NA
+PJ094569	GSSSSSCCCK 	C32H57N11O16S3	947.3147	NA	PeJP	NA	NA
+PJ094570	GSSCDMYW 	C40H53N9O14S2	947.3154	NA	PeJP	NA	NA
+PJ094571	SSCCMMMR 	C33H61N11O11S5	947.3156	NA	PeJP	NA	NA
+PJ094572	CCQMMFW 	C41H57N9O9S4	947.3162	NA	PeJP	NA	NA
+PJ094573	GACCMMFW 	C41H57N9O9S4	947.3163	NA	PeJP	NA	NA
+PJ094574	GSSSSDDMY 	C36H53N9O19S	947.3179	NA	PeJP	NA	NA
+PJ094575	GSNDMMMY 	C37H57N9O14S3	947.3187	NA	PeJP	NA	NA
+PJ094576	GGGSDMMMY 	C37H57N9O14S3	947.3188	NA	PeJP	NA	NA
+PJ094577	ACCYYYY 	C45H53N7O12S2	947.3194	NA	PeJP	NA	NA
+PJ094578	GCCNMHHF 	C38H53N13O10S3	947.3201	NA	PeJP	NA	NA
+PJ094579	NNNNNDDE 	C33H49N13O20	947.3217	NA	PeJP	NA	NA
+PJ094580	GGGGGGGGNDDE 	C33H49N13O20	947.3218	NA	PeJP	NA	NA
+PJ094581	DDEEMFY 	C41H53N7O17S	947.3219	NA	PeJP	NA	NA
+PJ094582	GSSSSMMMM 	C34H61N9O14S4	947.3221	NA	PeJP	NA	NA
+PJ094583	GCDDDMHR 	C34H53N13O15S2	947.3226	NA	PeJP	NA	NA
+PJ094584	ACCKMMMM 	C35H65N9O9S6	947.323	NA	PeJP	NA	NA
+PJ094585	SCDDHWW 	C42H49N11O13S	947.3232	NA	PeJP	NA	NA
+PJ094586	SCCCKMHH 	C35H57N13O10S4	947.3235	NA	PeJP	NA	NA
+PJ094587	SSSDDDHW 	C38H49N11O18	947.3257	NA	PeJP	NA	NA
+PJ094588	GNDDDEHF 	C38H49N11O18	947.3258	NA	PeJP	NA	NA
+PJ094589	EEMMMMF 	C39H61N7O12S4	947.3261	NA	PeJP	NA	NA
+PJ094590	NDDMMHW 	C39H53N11O13S2	947.3266	NA	PeJP	NA	NA
+PJ094591	CCCMFRW 	C40H57N11O8S4	947.3275	NA	PeJP	NA	NA
+PJ094592	SSSSSCNNY 	C35H53N11O18S	947.3291	NA	PeJP	NA	NA
+PJ094593	PDDDDWW 	C43H49N9O16	947.3298	NA	PeJP	NA	NA
+PJ094594	GSCCEMRY 	C36H57N11O13S3	947.33	NA	PeJP	NA	NA
+PJ094595	GCNDEHHH 	C36H49N15O14S	947.3305	NA	PeJP	NA	NA
+PJ094596	STCCYWW 	C44H53N9O11S2	947.3306	NA	PeJP	NA	NA
+PJ094597	MMMMMHH 	C37H61N11O8S5	947.3309	NA	PeJP	NA	NA
+PJ094598	SSSSCEYW 	C40H53N9O16S	947.3331	NA	PeJP	NA	NA
+PJ094599	SSSCCCCKK 	C33H61N11O13S4	947.3333	NA	PeJP	NA	NA
+PJ094600	SCCNNDHR 	C33H53N15O14S2	947.3338	NA	PeJP	NA	NA
+PJ094601	SCQMMYW 	C41H57N9O11S3	947.334	NA	PeJP	NA	NA
+PJ094602	SSSSSSDEY 	C36H53N9O21	947.3356	NA	PeJP	NA	NA
+PJ094603	GAPTDDDEE 	C36H53N9O21	947.3357	NA	PeJP	NA	NA
+PJ094604	SSSNEMMY 	C37H57N9O16S2	947.3365	NA	PeJP	NA	NA
+PJ094605	GNNNNDDW 	C37H49N13O17	947.337	NA	PeJP	NA	NA
+PJ094606	SSCYYYY 	C45H53N7O14S	947.3371	NA	PeJP	NA	NA
+PJ094607	NQMMMMY 	C38H61N9O11S4	947.3374	NA	PeJP	NA	NA
+PJ094608	CCDEHRW 	C38H53N13O12S2	947.3378	NA	PeJP	NA	NA
+PJ094609	GGGSCNMHW 	C38H53N13O12S2	947.3379	NA	PeJP	NA	NA
+PJ094610	SEEEEYY 	C41H53N7O19	947.3396	NA	PeJP	NA	NA
+PJ094611	SSSSSTMMM 	C34H61N9O16S3	947.3399	NA	PeJP	NA	NA
+PJ094612	GSSSNNDMH 	C34H53N13O17S	947.3403	NA	PeJP	NA	NA
+PJ094613	SSCDDEHR 	C34H53N13O17S	947.3404	NA	PeJP	NA	NA
+PJ094614	PDEMMYY 	C42H57N7O14S2	947.3405	NA	PeJP	NA	NA
+PJ094615	SSCKMMMM 	C35H65N9O11S5	947.3407	NA	PeJP	NA	NA
+PJ094616	NDDDHFW 	C42H49N11O15	947.341	NA	PeJP	NA	NA
+PJ094617	SPCCDMHR 	C35H57N13O12S3	947.3412	NA	PeJP	NA	NA
+PJ094618	GCEMHWW 	C43H53N11O10S2	947.3419	NA	PeJP	NA	NA
+PJ094619	GSSDEMHW 	C39H53N11O15S	947.3444	NA	PeJP	NA	NA
+PJ094620	SCCMRYW 	C40H57N11O10S3	947.3452	NA	PeJP	NA	NA
+PJ094621	GGPPCCMHF 	C40H57N11O10S3	947.3453	NA	PeJP	NA	NA
+PJ094622	CNDHHHW 	C40H49N15O11S	947.3457	NA	PeJP	NA	NA
+PJ094623	GCCFFWW 	C48H53N9O8S2	947.3459	NA	PeJP	NA	NA
+PJ094624	SPDDDDER 	C35H53N11O20	947.3469	NA	PeJP	NA	NA
+PJ094625	SSSCDMRY 	C36H57N11O15S2	947.3477	NA	PeJP	NA	NA
+PJ094626	PPCDDDMR 	C36H57N11O15S2	947.3478	NA	PeJP	NA	NA
+PJ094627	SSNDDHHH 	C36H49N15O16	947.3482	NA	PeJP	NA	NA
+PJ094628	GNDMYYW 	C44H53N9O13S	947.3484	NA	PeJP	NA	NA
+PJ094629	CNMMMRY 	C37H61N11O10S4	947.3486	NA	PeJP	NA	NA
+PJ094630	SPCCQHHH 	C37H53N15O11S2	947.3491	NA	PeJP	NA	NA
+PJ094631	GSPDEEEW 	C40H53N9O18	947.3509	NA	PeJP	NA	NA
+PJ094632	NNNNNNNM 	C33H53N15O16S	947.3516	NA	PeJP	NA	NA
+PJ094633	GSSSMMYW 	C41H57N9O13S2	947.3518	NA	PeJP	NA	NA
+PJ094634	GCCNQMHR 	C34H57N15O11S3	947.3525	NA	PeJP	NA	NA
+PJ094635	CCKMMFW 	C42H61N9O8S4	947.3526	NA	PeJP	NA	NA
+PJ094636	GSSSSTEMY 	C37H57N9O18S	947.3543	NA	PeJP	NA	NA
+PJ094637	PDDEFYY 	C45H53N7O16	947.3549	NA	PeJP	NA	NA
+PJ094638	GSTQMMMY 	C38H61N9O13S3	947.3551	NA	PeJP	NA	NA
+PJ094639	SSSCNQHW 	C38H53N13O14S	947.3556	NA	PeJP	NA	NA
+PJ094640	ACCCKHHF 	C39H57N13O9S3	947.3565	NA	PeJP	NA	NA
+PJ094641	CMHWWW 	C47H53N11O7S2	947.3571	NA	PeJP	NA	NA
+PJ094642	GNNDDEER 	C34H53N13O19	947.3581	NA	PeJP	NA	NA
+PJ094643	VDEEMYY 	C42H57N7O16S	947.3583	NA	PeJP	NA	NA
+PJ094644	GSDDMMHR 	C35H57N13O14S2	947.359	NA	PeJP	NA	NA
+PJ094645	PEMMMFY 	C43H61N7O11S3	947.3592	NA	PeJP	NA	NA
+PJ094646	SSDMHWW 	C43H53N11O12S	947.3596	NA	PeJP	NA	NA
+PJ094647	APCCMMHR 	C36H61N13O9S4	947.3599	NA	PeJP	NA	NA
+PJ094648	SSSSEEHW 	C39H53N11O17	947.3621	NA	PeJP	NA	NA
+PJ094649	GGGGGAEEEW 	C39H53N11O17	947.3622	NA	PeJP	NA	NA
+PJ094650	LEMMMMY 	C40H65N7O11S4	947.3625	NA	PeJP	NA	NA
+PJ094651	SQEMMHW 	C40H57N11O12S2	947.363	NA	PeJP	NA	NA
+PJ094652	CQYYWW 	C48H53N9O10S	947.3636	NA	PeJP	NA	NA
+PJ094653	GCCCNHRR 	C33H57N17O10S3	947.3637	NA	PeJP	NA	NA
+PJ094654	CMHHHHF 	C41H53N15O8S2	947.3643	NA	PeJP	NA	NA
+PJ094655	GPDDEEMR 	C36H57N11O17S	947.3655	NA	PeJP	NA	NA
+PJ094656	SPDEEWW 	C44H53N9O15	947.3661	NA	PeJP	NA	NA
+PJ094657	PTDDEWW 	C44H53N9O15	947.3662	NA	PeJP	NA	NA
+PJ094658	GSTCMMRY 	C37H61N11O12S3	947.3664	NA	PeJP	NA	NA
+PJ094659	GSNEMHHH 	C37H53N15O13S	947.3668	NA	PeJP	NA	NA
+PJ094660	GGGSEMHHH 	C37H53N15O13S	947.3669	NA	PeJP	NA	NA
+PJ094661	PPCEMWW 	C45H57N9O10S2	947.367	NA	PeJP	NA	NA
+PJ094662	SNNNNDDR 	C33H53N15O18	947.3693	NA	PeJP	NA	NA
+PJ094663	GGGGSNNDDR 	C33H53N15O18	947.3694	NA	PeJP	NA	NA
+PJ094664	SSSSTMYW 	C41H57N9O15S	947.3695	NA	PeJP	NA	NA
+PJ094665	NYYYYY 	C49H53N7O13	947.3701	NA	PeJP	NA	NA
+PJ094666	GGYYYYY 	C49H53N7O13	947.3702	NA	PeJP	NA	NA
+PJ094667	SCKMMYW 	C42H61N9O10S3	947.3704	NA	PeJP	NA	NA
+PJ094668	CNNQHFW 	C42H53N13O11S	947.3708	NA	PeJP	NA	NA
+PJ094669	GGCNQHFW 	C42H53N13O11S	947.3709	NA	PeJP	NA	NA
+PJ094670	SSSSSTTEY 	C37H57N9O20	947.372	NA	PeJP	NA	NA
+PJ094671	SSSDKMMY 	C38H61N9O15S2	947.3729	NA	PeJP	NA	NA
+PJ094672	NNDDERW 	C38H53N13O16	947.3734	NA	PeJP	NA	NA
+PJ094673	PPDMYYY 	C46H57N7O13S	947.3735	NA	PeJP	NA	NA
+PJ094674	NKMMMMY 	C39H65N9O10S4	947.3738	NA	PeJP	NA	NA
+PJ094675	SCEMHRW 	C39H57N13O11S2	947.3742	NA	PeJP	NA	NA
+PJ094676	DEHHHHH 	C39H49N17O12	947.3747	NA	PeJP	NA	NA
+PJ094677	GPCNWWW 	C47H53N11O9S	947.3749	NA	PeJP	NA	NA
+PJ094678	SSSDEMHR 	C35H57N13O16S	947.3767	NA	PeJP	NA	NA
+PJ094679	GGGGSPDDMR 	C35H57N13O16S	947.3768	NA	PeJP	NA	NA
+PJ094680	VEEMMFY 	C43H61N7O13S2	947.3769	NA	PeJP	NA	NA
+PJ094681	GNQEEWW 	C43H53N11O14	947.3774	NA	PeJP	NA	NA
+PJ094682	NEMMMHR 	C36H61N13O11S3	947.3776	NA	PeJP	NA	NA
+PJ094683	GSCDHHHR 	C36H53N17O12S	947.3781	NA	PeJP	NA	NA
+PJ094684	ASMMHWW 	C44H57N11O9S2	947.3782	NA	PeJP	NA	NA
+PJ094685	GTMMHWW 	C44H57N11O9S2	947.3783	NA	PeJP	NA	NA
+PJ094686	SNDMRYY 	C40H57N11O14S	947.3807	NA	PeJP	NA	NA
+PJ094687	PDDEMRW 	C40H57N11O14S	947.3808	NA	PeJP	NA	NA
+PJ094688	GSSYYWW 	C48H53N9O12	947.3814	NA	PeJP	NA	NA
+PJ094689	VNMMMHW 	C41H61N11O9S3	947.3816	NA	PeJP	NA	NA
+PJ094690	SNMHHHW 	C41H53N15O10S	947.3821	NA	PeJP	NA	NA
+PJ094691	ASSSTTEEH 	C36H57N11O19	947.3832	NA	PeJP	NA	NA
+PJ094692	QEEEEER 	C36H57N11O19	947.3833	NA	PeJP	NA	NA
+PJ094693	SSSSMMRY 	C37H61N11O14S2	947.3841	NA	PeJP	NA	NA
+PJ094694	GGGGGGPVEMM 	C37H61N11O14S2	947.3842	NA	PeJP	NA	NA
+PJ094695	GPDDDHHR 	C37H53N15O15	947.3846	NA	PeJP	NA	NA
+PJ094696	APEEMWW 	C45H57N9O12S	947.3848	NA	PeJP	NA	NA
+PJ094697	APCKMMMH 	C38H65N11O9S4	947.385	NA	PeJP	NA	NA
+PJ094698	QQMMHHH 	C38H57N15O10S2	947.3855	NA	PeJP	NA	NA
+PJ094699	VQEEEEW 	C41H57N9O17	947.3873	NA	PeJP	NA	NA
+PJ094700	GSSSSCQHR 	C34H57N15O15S	947.388	NA	PeJP	NA	NA
+PJ094701	ASPPEMMW 	C42H61N9O12S2	947.3881	NA	PeJP	NA	NA
+PJ094702	GPPTEMMW 	C42H61N9O12S2	947.3882	NA	PeJP	NA	NA
+PJ094703	GNDDRWW 	C42H53N13O13	947.3886	NA	PeJP	NA	NA
+PJ094704	CDMMHRR 	C35H61N15O10S3	947.3888	NA	PeJP	NA	NA
+PJ094705	GGPPCCCRR 	C35H61N15O10S3	947.3889	NA	PeJP	NA	NA
+PJ094706	PCCHFRW 	C43H57N13O8S2	947.3895	NA	PeJP	NA	NA
+PJ094707	SSSSSSLMY 	C38H61N9O17S	947.3906	NA	PeJP	NA	NA
+PJ094708	GPKEEEEM 	C38H61N9O17S	947.3907	NA	PeJP	NA	NA
+PJ094709	PVDEYYY 	C46H57N7O15	947.3913	NA	PeJP	NA	NA
+PJ094710	GSTKMMMY 	C39H65N9O12S3	947.3915	NA	PeJP	NA	NA
+PJ094711	GSPCNERW 	C39H57N13O13S	947.392	NA	PeJP	NA	NA
+PJ094712	PPMMFYY 	C47H61N7O10S2	947.3922	NA	PeJP	NA	NA
+PJ094713	NQEWWW 	C47H53N11O11	947.3926	NA	PeJP	NA	NA
+PJ094714	GGGAEWWW 	C47H53N11O11	947.3927	NA	PeJP	NA	NA
+PJ094715	GMMMHRW 	C40H61N13O8S3	947.3929	NA	PeJP	NA	NA
+PJ094716	DDEEERR 	C35H57N13O18	947.3945	NA	PeJP	NA	NA
+PJ094717	TLEEMYY 	C43H61N7O15S	947.3947	NA	PeJP	NA	NA
+PJ094718	GSTEMMHR 	C36H61N13O13S2	947.3954	NA	PeJP	NA	NA
+PJ094719	PLMMMYY 	C44H65N7O10S3	947.3955	NA	PeJP	NA	NA
+PJ094720	GNNNQQHH 	C36H53N17O14	947.3958	NA	PeJP	NA	NA
+PJ094721	GGGGGGANQHH 	C36H53N17O14	947.3959	NA	PeJP	NA	NA
+PJ094722	STTMHWW 	C44H57N11O11S	947.396	NA	PeJP	NA	NA
+PJ094723	CQMHHHR 	C37H57N17O9S2	947.3967	NA	PeJP	NA	NA
+PJ094724	AEEEERW 	C40H57N11O16	947.3985	NA	PeJP	NA	NA
+PJ094725	GCNNNDRR 	C33H57N17O14S	947.3992	NA	PeJP	NA	NA
+PJ094726	SKEMMHW 	C41H61N11O11S2	947.3994	NA	PeJP	NA	NA
+PJ094727	ASSSHHHW 	C41H53N15O12	947.3998	NA	PeJP	NA	NA
+PJ094728	GSSTHHHW 	C41H53N15O12	947.3999	NA	PeJP	NA	NA
+PJ094729	CKYYWW 	C49H57N9O9S	947.4	NA	PeJP	NA	NA
+PJ094730	GPTEEEMR 	C37H61N11O16S	947.4019	NA	PeJP	NA	NA
+PJ094731	GLEEEWW 	C45H57N9O14	947.4025	NA	PeJP	NA	NA
+PJ094732	GPPEMMMR 	C38H65N11O11S3	947.4028	NA	PeJP	NA	NA
+PJ094733	NNNNMRW 	C38H57N15O12S	947.4032	NA	PeJP	NA	NA
+PJ094734	GGGGGGGGMRW 	C38H57N15O12S	947.4033	NA	PeJP	NA	NA
+PJ094735	PPTMMWW 	C46H61N9O9S2	947.4034	NA	PeJP	NA	NA
+PJ094736	GPEHHWW 	C46H53N13O10	947.4039	NA	PeJP	NA	NA
+PJ094737	GSNDDERR 	C34H57N15O17	947.4057	NA	PeJP	NA	NA
+PJ094738	GGGGGGGGSTER 	C34H57N15O17	947.4058	NA	PeJP	NA	NA
+PJ094739	PKEEEMW 	C42H61N9O14S	947.4059	NA	PeJP	NA	NA
+PJ094740	PPDFFYY 	C50H57N7O12	947.4066	NA	PeJP	NA	NA
+PJ094741	GPPVMMMW 	C43H65N9O9S3	947.4068	NA	PeJP	NA	NA
+PJ094742	SPCNRWW 	C43H57N13O10S	947.4072	NA	PeJP	NA	NA
+PJ094743	GGSPCRWW 	C43H57N13O10S	947.4073	NA	PeJP	NA	NA
+PJ094744	GQWWWW 	C51H53N11O8	947.4079	NA	PeJP	NA	NA
+PJ094745	SSSTTTTTY 	C38H61N9O19	947.4084	NA	PeJP	NA	NA
+PJ094746	SSTTKMMY 	C39H65N9O14S2	947.4093	NA	PeJP	NA	NA
+PJ094747	SNQEERW 	C39H57N13O15	947.4097	NA	PeJP	NA	NA
+PJ094748	GGSQEERW 	C39H57N13O15	947.4098	NA	PeJP	NA	NA
+PJ094749	PVEMFYY 	C47H61N7O12S	947.4099	NA	PeJP	NA	NA
+PJ094750	STMMHRW 	C40H61N13O10S2	947.4106	NA	PeJP	NA	NA
+PJ094751	AAMHFWW 	C48H57N11O8S	947.4113	NA	PeJP	NA	NA
+PJ094752	SSTTEMHR 	C36H61N13O15S	947.4131	NA	PeJP	NA	NA
+PJ094753	GGGGGGGAAKEM 	C36H61N13O15S	947.4132	NA	PeJP	NA	NA
+PJ094754	VLEMMYY 	C44H65N7O12S2	947.4133	NA	PeJP	NA	NA
+PJ094755	GNKEEWW 	C44H57N11O13	947.4138	NA	PeJP	NA	NA
+PJ094756	DKMMMHR 	C37H65N13O10S3	947.414	NA	PeJP	NA	NA
+PJ094757	GSSMHHHR 	C37H57N17O11S	947.4145	NA	PeJP	NA	NA
+PJ094758	PCKMHFW 	C45H61N11O8S2	947.4146	NA	PeJP	NA	NA
+PJ094759	GQHHHFW 	C45H53N15O9	947.4151	NA	PeJP	NA	NA
+PJ094760	PTEEMRW 	C41H61N11O13S	947.4171	NA	PeJP	NA	NA
+PJ094761	AAAAAQEMW 	C41H61N11O13S	947.4172	NA	PeJP	NA	NA
+PJ094762	LEEWWW 	C49H57N9O11	947.4178	NA	PeJP	NA	NA
+PJ094763	PPMMMRW 	C42H65N11O8S3	947.418	NA	PeJP	NA	NA
+PJ094764	TCKHHHW 	C42H57N15O9S	947.4185	NA	PeJP	NA	NA
+PJ094765	PHHWWW 	C50H53N13O7	947.4191	NA	PeJP	NA	NA
+PJ094766	KEEEEER 	C37H61N11O18	947.4196	NA	PeJP	NA	NA
+PJ094767	GSLEEEER 	C37H61N11O18	947.4197	NA	PeJP	NA	NA
+PJ094768	GPVEEMMR 	C38H65N11O13S2	947.4205	NA	PeJP	NA	NA
+PJ094769	SNDDRRW 	C38H57N15O14	947.421	NA	PeJP	NA	NA
+PJ094770	ASKMYYW 	C46H61N9O11S	947.4211	NA	PeJP	NA	NA
+PJ094771	SPLEMWW 	C46H61N9O11S	947.4212	NA	PeJP	NA	NA
+PJ094772	PCCQRRW 	C39H61N15O9S2	947.4219	NA	PeJP	NA	NA
+PJ094773	SSSTLQYY 	C42H61N9O16	947.4236	NA	PeJP	NA	NA
+PJ094774	VKEEEEW 	C42H61N9O16	947.4237	NA	PeJP	NA	NA
+PJ094775	CQQEERR 	C35H61N15O14S	947.4243	NA	PeJP	NA	NA
+PJ094776	NNEEMRR 	C35H61N15O14S	947.4244	NA	PeJP	NA	NA
+PJ094777	AAPLEMMW 	C43H65N9O11S2	947.4245	NA	PeJP	NA	NA
+PJ094778	GSQERWW 	C43H57N13O12	947.425	NA	PeJP	NA	NA
+PJ094779	PPMFFFY 	C51H61N7O9S	947.4252	NA	PeJP	NA	NA
+PJ094780	PHHHHHF 	C44H53N17O8	947.4264	NA	PeJP	NA	NA
+PJ094781	SPVKEEEM 	C39H65N9O16S	947.427	NA	PeJP	NA	NA
+PJ094782	GGAILEEEM 	C39H65N9O16S	947.4271	NA	PeJP	NA	NA
+PJ094783	PTLEYYY 	C47H61N7O14	947.4277	NA	PeJP	NA	NA
+PJ094784	PPVDKMMM 	C40H69N9O11S3	947.4279	NA	PeJP	NA	NA
+PJ094785	AQQEMRW 	C40H61N13O12S	947.4284	NA	PeJP	NA	NA
+PJ094786	PLMMFFY 	C48H65N7O9S2	947.4286	NA	PeJP	NA	NA
+PJ094787	NKEWWW 	C48H57N11O10	947.429	NA	PeJP	NA	NA
+PJ094788	LMHHHHH 	C41H57N17O8S	947.4297	NA	PeJP	NA	NA
+PJ094789	TEEEERR 	C36H61N13O17	947.4309	NA	PeJP	NA	NA
+PJ094790	PEEMMRR 	C37H65N13O12S2	947.4317	NA	PeJP	NA	NA
+PJ094791	GPNDKMMR 	C37H65N13O12S2	947.4318	NA	PeJP	NA	NA
+PJ094792	LLMMMFY 	C45H69N7O9S3	947.4319	NA	PeJP	NA	NA
+PJ094793	SSSTHHHR 	C37H57N17O13	947.4322	NA	PeJP	NA	NA
+PJ094794	GGGGGGGGAKHH 	C37H57N17O13	947.4323	NA	PeJP	NA	NA
+PJ094795	SPNKMWW 	C45H61N11O10S	947.4324	NA	PeJP	NA	NA
+PJ094796	CKMHHHR 	C38H61N17O8S2	947.4331	NA	PeJP	NA	NA
+PJ094797	SLEEERW 	C41H61N11O15	947.4349	NA	PeJP	NA	NA
+PJ094798	CNDERRR 	C34H61N17O13S	947.4356	NA	PeJP	NA	NA
+PJ094799	PVEMMRW 	C42H65N11O10S2	947.4358	NA	PeJP	NA	NA
+PJ094800	SPEHHRW 	C42H57N15O11	947.4362	NA	PeJP	NA	NA
+PJ094801	GGGGLQHHW 	C42H57N15O11	947.4363	NA	PeJP	NA	NA
+PJ094802	PPCLFWW 	C50H61N9O8S	947.4364	NA	PeJP	NA	NA
+3457	PEP inhibitor	SPFWNINA	947.4378	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ094803	AALEEEMR 	C38H65N11O15S	947.4383	NA	PeJP	NA	NA
+PJ094804	SVLEEWW 	C46H61N9O13	947.4389	NA	PeJP	NA	NA
+PJ094805	SPPVMMMR 	C39H69N11O10S3	947.4391	NA	PeJP	NA	NA
+PJ094806	GGPPCKKMM 	C39H69N11O10S3	947.4392	NA	PeJP	NA	NA
+PJ094807	GNEMRRW 	C39H61N15O11S	947.4396	NA	PeJP	NA	NA
+PJ094808	PVVMMWW 	C47H65N9O8S2	947.4398	NA	PeJP	NA	NA
+PJ094809	SQRWWW 	C47H57N13O9	947.4403	NA	PeJP	NA	NA
+PJ094810	GSSQEERR 	C35H61N15O16	947.4421	NA	PeJP	NA	NA
+PJ094811	LLQEEMW 	C43H65N9O13S	947.4423	NA	PeJP	NA	NA
+PJ094812	PPVFYYY 	C51H61N7O11	947.4429	NA	PeJP	NA	NA
+PJ094813	GSPNMMRR 	C36H65N15O11S2	947.443	NA	PeJP	NA	NA
+PJ094814	NNDHHRR 	C36H57N19O12	947.4435	NA	PeJP	NA	NA
+PJ094815	AAQMRWW 	C44H61N13O9S	947.4436	NA	PeJP	NA	NA
+PJ094816	GKWWWW 	C52H57N11O7	947.4443	NA	PeJP	NA	NA
+PJ094817	ATLKEEEE 	C39H65N9O18	947.4448	NA	PeJP	NA	NA
+PJ094818	APLKEEMM 	C40H69N9O13S2	947.4457	NA	PeJP	NA	NA
+PJ094819	SNKEERW 	C40H61N13O14	947.4461	NA	PeJP	NA	NA
+PJ094820	GGGGGSDKKW 	C40H61N13O14	947.4462	NA	PeJP	NA	NA
+PJ094821	PVLMYYY 	C48H65N7O11S	947.4463	NA	PeJP	NA	NA
+PJ094822	PCQKMRW 	C41H65N13O9S2	947.447	NA	PeJP	NA	NA
+PJ094823	GQQHHRW 	C41H57N17O10	947.4475	NA	PeJP	NA	NA
+PJ094824	VEEEMRR 	C37H65N13O14S	947.4495	NA	PeJP	NA	NA
+PJ094825	ATQKEWW 	C45H61N11O12	947.4501	NA	PeJP	NA	NA
+PJ094826	GDKKEWW 	C45H61N11O12	947.4502	NA	PeJP	NA	NA
+PJ094827	ACCKKKMH 	C38H69N13O9S3	947.4504	NA	PeJP	NA	NA
+PJ094828	GCDRRRW 	C38H61N17O10S	947.4509	NA	PeJP	NA	NA
+PJ094829	GKHHHFW 	C46H57N15O8	947.4515	NA	PeJP	NA	NA
+PJ094830	SSSNNQRR 	C34H61N17O15	947.4533	NA	PeJP	NA	NA
+PJ094831	GSSDDRRR 	C34H61N17O15	947.4534	NA	PeJP	NA	NA
+PJ094832	VVEEMRW 	C42H65N11O12S	947.4535	NA	PeJP	NA	NA
+PJ094833	GGGGGGPVLMF 	C42H65N11O12S	947.4536	NA	PeJP	NA	NA
+PJ094834	SPPLYWW 	C50H61N9O10	947.4542	NA	PeJP	NA	NA
+PJ094835	NMRRWW 	C43H61N15O8S	947.4549	NA	PeJP	NA	NA
+PJ094836	ATTLEEER 	C38H65N11O17	947.456	NA	PeJP	NA	NA
+PJ094837	APTLEMMR 	C39H69N11O12S2	947.4569	NA	PeJP	NA	NA
+PJ094838	NQQQQFR 	C39H61N15O13	947.4573	NA	PeJP	NA	NA
+PJ094839	SSQERRW 	C39H61N15O13	947.4574	NA	PeJP	NA	NA
+PJ094840	ALLEMWW 	C47H65N9O10S	947.4575	NA	PeJP	NA	NA
+PJ094841	CLLLDWW 	C47H65N9O10S	947.4576	NA	PeJP	NA	NA
+PJ094842	PCCKRRW 	C40H65N15O8S2	947.4582	NA	PeJP	NA	NA
+PJ094843	PQHHHHR 	C40H57N19O9	947.4587	NA	PeJP	NA	NA
+PJ094844	ATTILDEW 	C43H65N9O15	947.46	NA	PeJP	NA	NA
+PJ094845	GTTLLEEW 	C43H65N9O15	947.4601	NA	PeJP	NA	NA
+PJ094846	NDKEMRR 	C36H65N15O13S	947.4607	NA	PeJP	NA	NA
+PJ094847	GGDKEMRR 	C36H65N15O13S	947.4608	NA	PeJP	NA	NA
+PJ094848	GPTLLMMW 	C44H69N9O10S2	947.4609	NA	PeJP	NA	NA
+PJ094849	GSKERWW 	C44H61N13O11	947.4614	NA	PeJP	NA	NA
+PJ094850	PLMFFFF 	C52H65N7O8S	947.4616	NA	PeJP	NA	NA
+PJ094851	GLLKEEEM 	C40H69N9O15S	947.4634	NA	PeJP	NA	NA
+PJ094852	VVLEYYY 	C48H65N7O13	947.4641	NA	PeJP	NA	NA
+PJ094853	PPTLKMMM 	C41H73N9O10S3	947.4643	NA	PeJP	NA	NA
+PJ094854	SLQQMRW 	C41H65N13O11S	947.4647	NA	PeJP	NA	NA
+PJ094855	AQKEMRW 	C41H65N13O11S	947.4648	NA	PeJP	NA	NA
+PJ094856	LLMMFFF 	C49H69N7O8S2	947.4649	NA	PeJP	NA	NA
+PJ094857	DKKWWW 	C49H61N11O9	947.4654	NA	PeJP	NA	NA
+PJ094858	SSSSPVTQR 	C37H65N13O16	947.4672	NA	PeJP	NA	NA
+PJ094859	GSDKKEER 	C37H65N13O16	947.4673	NA	PeJP	NA	NA
+PJ094860	GPTQKMMR 	C38H69N13O11S2	947.4681	NA	PeJP	NA	NA
+PJ094861	GGGGGLLMMR 	C38H69N13O11S2	947.4682	NA	PeJP	NA	NA
+PJ094862	NNNQFRR 	C38H61N17O12	947.4686	NA	PeJP	NA	NA
+PJ094863	GLQKMWW 	C46H65N11O9S	947.4688	NA	PeJP	NA	NA
+PJ094864	TQKKEEW 	C42H65N11O14	947.4713	NA	PeJP	NA	NA
+PJ094865	SNEMRRR 	C35H65N17O12S	947.472	NA	PeJP	NA	NA
+PJ094866	PQKKMMW 	C43H69N11O9S2	947.4722	NA	PeJP	NA	NA
+PJ094867	GSTRRWW 	C43H61N15O10	947.4726	NA	PeJP	NA	NA
+PJ094868	SPTQKKEM 	C39H69N11O14S	947.4746	NA	PeJP	NA	NA
+PJ094869	GTLLEEMR 	C39H69N11O14S	947.4747	NA	PeJP	NA	NA
+PJ094870	TTLLEWW 	C47H65N9O12	947.4753	NA	PeJP	NA	NA
+PJ094871	GPLLMMMR 	C40H73N11O9S3	947.4755	NA	PeJP	NA	NA
+PJ094872	GDKMRRW 	C40H65N15O10S	947.476	NA	PeJP	NA	NA
+PJ094873	SKRWWW 	C48H61N13O8	947.4766	NA	PeJP	NA	NA
+PJ094874	GLLHHWW 	C48H61N13O8	947.4767	NA	PeJP	NA	NA
+PJ094875	GSSKEERR 	C36H65N15O15	947.4785	NA	PeJP	NA	NA
+PJ094876	LLKEEMW 	C44H69N9O12S	947.4787	NA	PeJP	NA	NA
+PJ094877	PVLFFYY 	C52H65N7O10	947.4793	NA	PeJP	NA	NA
+PJ094878	VQQMMRR 	C37H69N15O10S2	947.4794	NA	PeJP	NA	NA
+PJ094879	SQQHHRR 	C37H61N19O11	947.4798	NA	PeJP	NA	NA
+PJ094880	GGGATHHRR 	C37H61N19O11	947.4799	NA	PeJP	NA	NA
+PJ094881	AAKMRWW 	C45H65N13O8S	947.48	NA	PeJP	NA	NA
+PJ094882	STLLKEEE 	C40H69N9O17	947.4812	NA	PeJP	NA	NA
+PJ094883	VLLLNDMM 	C41H73N9O12S2	947.482	NA	PeJP	NA	NA
+PJ094884	SPLLKEMM 	C41H73N9O12S2	947.4821	NA	PeJP	NA	NA
+PJ094885	SDKKERW 	C41H65N13O13	947.4825	NA	PeJP	NA	NA
+PJ094886	GGGGGGGAALKF 	C41H65N13O13	947.4826	NA	PeJP	NA	NA
+PJ094887	VLLMFYY 	C49H69N7O10S	947.4827	NA	PeJP	NA	NA
+PJ094888	SCDRRRR 	C34H65N19O11S	947.4832	NA	PeJP	NA	NA
+PJ094889	PCKKMRW 	C42H69N13O8S2	947.4834	NA	PeJP	NA	NA
+PJ094890	GQKHHRW 	C42H61N17O9	947.4839	NA	PeJP	NA	NA
+PJ094891	QKKEEMR 	C38H69N13O13S	947.4859	NA	PeJP	NA	NA
+PJ094892	ATKKEWW 	C46H65N11O11	947.4865	NA	PeJP	NA	NA
+PJ094893	GGGAPLKYW 	C46H65N11O11	947.4866	NA	PeJP	NA	NA
+PJ094894	GSMRRRW 	C39H65N17O9S	947.4872	NA	PeJP	NA	NA
+PJ094895	HFFRRW 	C47H61N15O7	947.4879	NA	PeJP	NA	NA
+PJ094896	GSSTERRR 	C35H65N17O14	947.4897	NA	PeJP	NA	NA
+PJ094897	TLLEMRW 	C43H69N11O11S	947.4899	NA	PeJP	NA	NA
+2824	PEP inhibitor	MPPPLPTRVDFSLAGALN	947.4906	MH2+	Inhouse_peptide	NA	peptide
+PJ094898	APLLYWW 	C51H65N9O9	947.4906	NA	PeJP	NA	NA
+PJ094899	STTLLEER 	C39H69N11O16	947.4924	NA	PeJP	NA	NA
+PJ094900	GVLLEMMR 	C40H73N11O11S2	947.4933	NA	PeJP	NA	NA
+PJ094901	SSKERRW 	C40H65N15O12	947.4937	NA	PeJP	NA	NA
+PJ094902	GSSSLRRW 	C40H65N15O12	947.4938	NA	PeJP	NA	NA
+PJ094903	SLLLMWW 	C48H69N9O9S	947.4939	NA	PeJP	NA	NA
+PJ094904	PKHHHHR 	C41H61N19O8	947.4951	NA	PeJP	NA	NA
+PJ094905	SSTLLLEW 	C44H69N9O14	947.4964	NA	PeJP	NA	NA
+PJ094906	GGALLLEEF 	C44H69N9O14	947.4965	NA	PeJP	NA	NA
+PJ094907	TQKEMRR 	C37H69N15O12S	947.4971	NA	PeJP	NA	NA
+PJ094908	AALLLMMW 	C45H73N9O9S2	947.4973	NA	PeJP	NA	NA
+PJ094909	ATTKRWW 	C45H65N13O10	947.4978	NA	PeJP	NA	NA
+PJ094910	SVLLKEEM 	C41H73N9O14S	947.4998	NA	PeJP	NA	NA
+PJ094911	TLLLYYY 	C49H69N7O12	947.5004	NA	PeJP	NA	NA
+PJ094912	PVVLKMMM 	C42H77N9O9S3	947.5007	NA	PeJP	NA	NA
+PJ094913	AKKEMRW 	C42H69N13O10S	947.5011	NA	PeJP	NA	NA
+PJ094914	GGTLKMRW 	C42H69N13O10S	947.5012	NA	PeJP	NA	NA
+PJ094915	GPKKFWW 	C50H65N11O8	947.5018	NA	PeJP	NA	NA
+PJ094916	ASTKKEER 	C38H69N13O15	947.5036	NA	PeJP	NA	NA
+PJ094917	GTTKKEER 	C38H69N13O15	947.5037	NA	PeJP	NA	NA
+PJ094918	LLEMMRR 	C39H73N13O10S2	947.5045	NA	PeJP	NA	NA
+PJ094919	SSTRRRW 	C39H65N17O11	947.505	NA	PeJP	NA	NA
+PJ094920	GLKKMWW 	C47H69N11O8S	947.5052	NA	PeJP	NA	NA
+PJ094921	TKKKEEW 	C43H69N11O13	947.5077	NA	PeJP	NA	NA
+PJ094922	SDKMRRR 	C36H69N17O11S	947.5084	NA	PeJP	NA	NA
+PJ094923	VLLMMRW 	C44H73N11O8S2	947.5085	NA	PeJP	NA	NA
+PJ094924	GVQFRRW 	C44H65N15O9	947.509	NA	PeJP	NA	NA
+PJ094925	SSLLLEMR 	C40H73N11O13S	947.511	NA	PeJP	NA	NA
+PJ094926	GVKKKEEM 	C40H73N11O13S	947.5111	NA	PeJP	NA	NA
+PJ094927	PLLKEYW 	C48H69N9O11	947.5117	NA	PeJP	NA	NA
+PJ094928	ATKMRRW 	C41H69N15O9S	947.5124	NA	PeJP	NA	NA
+PJ094929	GTTTKERR 	C37H69N15O14	947.5149	NA	PeJP	NA	NA
+PJ094930	ATTLLLMW 	C45H73N9O11S	947.5151	NA	PeJP	NA	NA
+PJ094931	VLLFFFY 	C53H69N7O9	947.5157	NA	PeJP	NA	NA
+PJ094932	LNKMMRR 	C38H73N15O9S2	947.5158	NA	PeJP	NA	NA
+PJ094933	SQKHHRR 	C38H65N19O10	947.5162	NA	PeJP	NA	NA
+PJ094934	SSSSLLLLE 	C41H73N9O16	947.5176	NA	PeJP	NA	NA
+PJ094935	ALLLKEMM 	C42H77N9O11S2	947.5184	NA	PeJP	NA	NA
+PJ094936	TTKKERW 	C42H69N13O12	947.5189	NA	PeJP	NA	NA
+PJ094937	SSMRRRR 	C35H69N19O10S	947.5196	NA	PeJP	NA	NA
+PJ094938	QFRRRW 	C43H65N17O8	947.5202	NA	PeJP	NA	NA
+PJ094939	GAFRRRW 	C43H65N17O8	947.5203	NA	PeJP	NA	NA
+PJ094940	KKKEEMR 	C39H73N13O12S	947.5223	NA	PeJP	NA	NA
+PJ094941	STLKKWW 	C47H69N11O10	947.5229	NA	PeJP	NA	NA
+PJ094942	VLMHHRR 	C40H69N17O8S	947.5236	NA	PeJP	NA	NA
+MJ098443	Phenelfamycin; Phenelfamycin C, 23-De(phenylacetoxy) 	C50H77NO16	947.524235	NA	MeJP	NA	NA
+PJ094943	SSSSLRRR 	C36H69N17O13	947.5261	NA	PeJP	NA	NA
+PJ094944	VKKKEMW 	C44H73N11O10S	947.5263	NA	PeJP	NA	NA
+PJ094945	ALLLFWW 	C52H69N9O8	947.5269	NA	PeJP	NA	NA
+PJ094946	VVVLFWW 	C52H69N9O8	947.527	NA	PeJP	NA	NA
+PJ094947	SSLKKKEE 	C40H73N11O15	947.5288	NA	PeJP	NA	NA
+PJ094948	ATLLLMMR 	C41H77N11O10S2	947.5297	NA	PeJP	NA	NA
+PJ094949	TTTKRRW 	C41H69N15O11	947.5301	NA	PeJP	NA	NA
+PJ094950	GGGGLLRRY 	C41H69N15O11	947.5302	NA	PeJP	NA	NA
+PJ094951	TTTTLLLW 	C45H73N9O13	947.5328	NA	PeJP	NA	NA
+PJ094952	TKKEMRR 	C38H73N15O11S	947.5335	NA	PeJP	NA	NA
+PJ094953	APKKRYW 	C46H69N13O9	947.5342	NA	PeJP	NA	NA
+PJ094954	TTLLLKEM 	C42H77N9O13S	947.5362	NA	PeJP	NA	NA
+PJ094955	SLKKMRW 	C43H73N13O9S	947.5375	NA	PeJP	NA	NA
+PJ094956	SSTLKKER 	C39H73N13O14	947.54	NA	PeJP	NA	NA
+PJ094957	AALKKMMR 	C40H77N13O9S2	947.5409	NA	PeJP	NA	NA
+PJ094958	GLQRRRY 	C40H69N17O10	947.5414	NA	PeJP	NA	NA
+PJ094959	ATTTLKKW 	C44H73N11O12	947.544	NA	PeJP	NA	NA
+PJ094960	SSSLLKKW 	C44H73N11O12	947.5441	NA	PeJP	NA	NA
+PJ094961	TTKMRRR 	C37H73N17O10S	947.5447	NA	PeJP	NA	NA
+PJ094962	GVKFRRW 	C45H69N15O8	947.5454	NA	PeJP	NA	NA
+PJ094963	TTTLLLMR 	C41H77N11O12S	947.5474	NA	PeJP	NA	NA
+PJ094964	LLLLQYW 	C49H73N9O10	947.5481	NA	PeJP	NA	NA
+PJ094965	SSTTLKRR 	C38H73N15O13	947.5513	NA	PeJP	NA	NA
+PJ094966	APLLLKMY 	C46H77N9O10S	947.5515	NA	PeJP	NA	NA
+PJ094967	VKKMMRR 	C39H77N15O8S2	947.5521	NA	PeJP	NA	NA
+PJ094968	AARRRRY 	C39H69N19O9	947.5526	NA	PeJP	NA	NA
+PJ094969	SSTTTLLLL 	C42H77N9O15	947.5539	NA	PeJP	NA	NA
+PJ094970	SLLLLKMM 	C43H81N9O10S2	947.5548	NA	PeJP	NA	NA
+PJ094971	GSSKKKKW 	C43H73N13O11	947.5553	NA	PeJP	NA	NA
+PJ094972	KFRRRW 	C44H69N17O7	947.5566	NA	PeJP	NA	NA
+PJ094973	ATTLKKMR 	C40H77N13O11S	947.5587	NA	PeJP	NA	NA
+PJ094974	VVLLRYW 	C48H73N11O9	947.5593	NA	PeJP	NA	NA
+PJ094975	GVLLLMFR 	C45H77N11O9S	947.5627	NA	PeJP	NA	NA
+PJ094976	APHRRRR 	C38H69N21O8	947.5638	NA	PeJP	NA	NA
+PJ094977	TTTLKKKE 	C41H77N11O14	947.5652	NA	PeJP	NA	NA
+PJ094978	GLLKKKMM 	C42H81N11O9S2	947.5661	NA	PeJP	NA	NA
+PJ094979	PTKKRRY 	C42H73N15O10	947.5665	NA	PeJP	NA	NA
+PJ094980	GLLLLKEY 	C46H77N9O12	947.5692	NA	PeJP	NA	NA
+PJ094981	GTCKKKKR 	C39H77N15O10S	947.5699	NA	PeJP	NA	NA
+PJ094982	ALKKFRW 	C47H73N13O8	947.5705	NA	PeJP	NA	NA
+PJ094983	PLLFFRR 	C47H73N13O8	947.5706	NA	PeJP	NA	NA
+PJ094984	CKKKKKW 	C44H77N13O8S	947.5739	NA	PeJP	NA	NA
+PJ094985	TTTTLKKR 	C40H77N13O13	947.5764	NA	PeJP	NA	NA
+PJ094986	GLKRRRY 	C41H73N17O9	947.5778	NA	PeJP	NA	NA
+PJ094987	GTLLLLRY 	C45H77N11O11	947.5804	NA	PeJP	NA	NA
+PJ094988	GGGLLLKKY 	C45H77N11O11	947.5805	NA	PeJP	NA	NA
+PJ094989	STLLKKKM 	C42H81N11O11S	947.5838	NA	PeJP	NA	NA
+PJ094990	LLLLKYW 	C50H77N9O9	947.5845	NA	PeJP	NA	NA
+PJ094991	SSSKKKKR 	C39H77N15O12	947.5877	NA	PeJP	NA	NA
+PJ094992	ALLLLKMF 	C47H81N9O9S	947.5878	NA	PeJP	NA	NA
+PJ094993	PVKHRRR 	C40H73N19O8	947.589	NA	PeJP	NA	NA
+PJ094994	LLQKKRY 	C44H77N13O10	947.5917	NA	PeJP	NA	NA
+PJ094995	SVCKKKKK 	C41H81N13O10S	947.595	NA	PeJP	NA	NA
+PJ094996	GTKKKKKM 	C41H81N13O10S	947.5951	NA	PeJP	NA	NA
+PJ094997	VLKKKFW 	C49H77N11O8	947.5957	NA	PeJP	NA	NA
+PJ094998	VVKKRRY 	C43H77N15O9	947.6029	NA	PeJP	NA	NA
+PJ094999	SVLLLLKY 	C47H81N9O11	947.6056	NA	PeJP	NA	NA
+PJ095000	STTKKKKK 	C41H81N13O12	947.6128	NA	PeJP	NA	NA
+PJ095001	GVLLKKKY 	C46H81N11O10	947.6168	NA	PeJP	NA	NA
+PJ095002	LLKKKRY 	C45H81N13O9	947.6281	NA	PeJP	NA	NA
+PJ095003	GPPLLLLLL 	C48H85N9O10	947.642	NA	PeJP	NA	NA
+PJ095004	VLLLLLKH 	C47H85N11O9	947.6532	NA	PeJP	NA	NA
+MJ098444	Plakoside A 	C57H105NO9	947.778933	NA	MeJP	NA	NA
+HMDB01380	Diguanosine pentaphosphate	C20H29N10O24P5	948.00439	http://www.hmdb.ca/metabolites/HMDB01380	HMDB	NA	NA
+HMDB01380	Diguanosine pentaphosphate	C20H29N10O24P5	948.00439	HMDB01380	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01380	Diguanosine pentaphosphate	C20H29N10O24P5	948.004395	NA	HMDB2010	NA	NA
+PJ095005	GCCCCCNDE 	C30H48N10O15S5	948.1905	NA	PeJP	NA	NA
+PJ095006	CCCCCNDW 	C34H48N10O12S5	948.2057	NA	PeJP	NA	NA
+PJ095007	SSCCCCNDD 	C30H48N10O17S4	948.2082	NA	PeJP	NA	NA
+PJ095008	SPCCCCCCQ 	C31H52N10O12S6	948.2091	NA	PeJP	NA	NA
+PJ095009	CCCDDEMM 	C32H52N8O15S5	948.2156	NA	PeJP	NA	NA
+PJ095010	CCCCCMHF 	C35H52N10O9S6	948.2243	NA	PeJP	NA	NA
+PJ095011	GSCCCCNEM 	C31H52N10O14S5	948.2268	NA	PeJP	NA	NA
+PJ095012	GGGSCCCCEM 	C31H52N10O14S5	948.2269	NA	PeJP	NA	NA
+PJ095013	CCCDDDEF 	C35H48N8O17S3	948.23	NA	PeJP	NA	NA
+PJ095014	CCCCDEHH 	C33H48N12O13S4	948.2347	NA	PeJP	NA	NA
+PJ095015	GSCCCCCDR 	C30H52N12O13S5	948.2381	NA	PeJP	NA	NA
+PJ095016	CDDDDDDH 	C33H44N10O21S	948.2404	NA	PeJP	NA	NA
+PJ095017	CCCNNDDY 	C34H48N10O16S3	948.2412	NA	PeJP	NA	NA
+PJ095018	SCCCCNMW 	C35H52N10O11S5	948.2421	NA	PeJP	NA	NA
+PJ095019	SSSCCCNDM 	C31H52N10O16S4	948.2446	NA	PeJP	NA	NA
+PJ095020	CCCNNMMM 	C32H56N10O11S6	948.2455	NA	PeJP	NA	NA
+PJ095021	SCCDDDEY 	C35H48N8O19S2	948.2477	NA	PeJP	NA	NA
+PJ095022	TCCDDDDY 	C35H48N8O19S2	948.2478	NA	PeJP	NA	NA
+PJ095023	PCCCDDMY 	C36H52N8O14S4	948.2486	NA	PeJP	NA	NA
+PJ095024	SCCDEMMM 	C33H56N8O14S5	948.252	NA	PeJP	NA	NA
+PJ095025	PCCCMMMM 	C34H60N8O9S7	948.2529	NA	PeJP	NA	NA
+FL5FAAGL0095	Kaempferol 3-[2'''-(E)-ferulylsophoroside]-7-glucoside	C43H48O24	948.25355	151649-63-7	knapsack	NA	NA
+FL5FAAGL0096	Kaempferol 3-sophoroside-7-(2''-ferulylglucoside)	C43H48O24	948.25355	87891-34-7	knapsack	NA	NA
+FL5FAAGL0103	Kaempferol 3-(2''-ferulylglucoside)-7,4'-diglucoside	C43H48O24	948.25355	108887-47-4	knapsack	NA	NA
+FL5FAAGL0104	Kaempferol 3,4'-diglucoside-7-(2''-ferulylglucoside)	C43H48O24	948.25355	108887-46-3	knapsack	NA	NA
+MJ098445	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)-[?-D-apiofuranosyl-(1?2)]-?-D-glucopyranoside] 	C43H48O24	948.253552	NA	MeJP	NA	NA
+MJ098446	Astragalin; 2''-O-(4-Hydroxy-3-methoxycinnamoyl), 4',7-di-O-?-D-glucopyranoside 	C43H48O24	948.253552	NA	MeJP	NA	NA
+MJ098447	Astragalin; 2''-O-?-D-Glucopyranosyl, 7-O-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranoside] 	C43H48O24	948.253552	NA	MeJP	NA	NA
+MJ098448	Astragalin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C43H48O24	948.253552	NA	MeJP	NA	NA
+MJ098449	Astragalin; 4'-O-?-D-Glucopyranoside, 7-O-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranoside] 	C43H48O24	948.253552	NA	MeJP	NA	NA
+MJ098450	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[3,4-dihydroxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-?-D-glucopyranoside 	C43H49O24(+)	948.253552	NA	MeJP	NA	NA
+MJ098451	3,4',5,7-Tetrahydroxy-3'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(?3)-3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C43H49O24(+)	948.253552	NA	MeJP	NA	NA
+PJ095026	CCCCCQMR 	C31H56N12O10S6	948.2567	NA	PeJP	NA	NA
+PJ095027	GSSTCCCCW 	C35H52N10O13S4	948.2599	NA	PeJP	NA	NA
+PJ095028	GSSSSSCCCE 	C31H52N10O18S3	948.2624	NA	PeJP	NA	NA
+PJ095029	GSSCCCQMM 	C32H56N10O13S5	948.2632	NA	PeJP	NA	NA
+PJ095030	GCDDDMMY 	C36H52N8O16S3	948.2664	NA	PeJP	NA	NA
+PJ095031	PCCCDMMF 	C37H56N8O11S5	948.2673	NA	PeJP	NA	NA
+PJ095032	CCCCCCRR 	C30H56N14O9S6	948.2679	NA	PeJP	NA	NA
+PJ095033	CCNNDDEH 	C33H48N12O17S2	948.2702	NA	PeJP	NA	NA
+PJ095034	GCDMMMMM 	C34H60N8O11S6	948.2706	NA	PeJP	NA	NA
+PJ095035	SCCCEMHH 	C34H52N12O12S4	948.2711	NA	PeJP	NA	NA
+PJ095036	GSSCCCCMR 	C31H56N12O12S5	948.2745	NA	PeJP	NA	NA
+FL5FADGS0026	Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside;Quercetin 3'-methyl ether 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside	C40H52O26	948.27468	-	knapsack	NA	NA
+MJ098452	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 2''-O-?-L-Rhamnopyranosyl, 6''-O-?-D-glucopyranosyl, 7-O-?-D-glucopyranoside 	C40H52O26	948.274681	NA	MeJP	NA	NA
+MJ098453	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl], 2''-O-?-L-rhamnopyranosyl 	C40H52O26	948.274681	NA	MeJP	NA	NA
+MJ098454	3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside], 3'-O-?-D-glucopyranoside 	C40H53O26(+)	948.274681	NA	MeJP	NA	NA
+PJ095037	GCCCCQFW 	C39H52N10O10S4	948.2751	NA	PeJP	NA	NA
+PJ095038	SDDDDDMH 	C34H48N10O20S	948.2768	NA	PeJP	NA	NA
+PJ095039	SSSSSCCCW 	C35H52N10O15S3	948.2776	NA	PeJP	NA	NA
+PJ095040	TCCCCCKW 	C36H56N10O10S5	948.2785	NA	PeJP	NA	NA
+PJ095041	SSSSSSSCCD 	C31H52N10O20S2	948.2801	NA	PeJP	NA	NA
+PJ095042	GCDDDDFY 	C39H48N8O18S	948.2808	NA	PeJP	NA	NA
+PJ095043	SSSSCCNMM 	C32H56N10O15S4	948.281	NA	PeJP	NA	NA
+PJ095044	CCDEMYW 	C40H52N8O13S3	948.2816	NA	PeJP	NA	NA
+PJ095045	CCCCQKMM 	C33H60N10O10S6	948.2819	NA	PeJP	NA	NA
+PJ095046	PDDDDDEE 	C35H48N8O23	948.2833	NA	PeJP	NA	NA
+PJ095047	SSCDDEMY 	C36H52N8O18S2	948.2841	NA	PeJP	NA	NA
+PJ095048	SPCCDMMY 	C37H56N8O13S4	948.285	NA	PeJP	NA	NA
+PJ095049	GCCNDDHW 	C37H48N12O14S2	948.2855	NA	PeJP	NA	NA
+PJ095050	PCCCCHHF 	C38H52N12O9S4	948.2864	NA	PeJP	NA	NA
+PJ095051	GSSCNDDDH 	C33H48N12O19S	948.288	NA	PeJP	NA	NA
+PJ095052	SSCEMMMM 	C34H60N8O13S5	948.2884	NA	PeJP	NA	NA
+PJ095053	GSPCCCNEH 	C34H52N12O14S3	948.2889	NA	PeJP	NA	NA
+PJ095054	GCCMMMHH 	C35H56N12O9S5	948.2897	NA	PeJP	NA	NA
+PJ095055	SSSTCCCCR 	C31H56N12O14S4	948.2922	NA	PeJP	NA	NA
+PJ095056	GSCCCQYW 	C39H52N10O12S3	948.2929	NA	PeJP	NA	NA
+PJ095057	CCCCCKMR 	C32H60N12O9S6	948.2931	NA	PeJP	NA	NA
+PJ095058	GSPNDDDDD 	C34H48N10O22	948.2945	NA	PeJP	NA	NA
+PJ095059	GSSSCCNEY 	C35H52N10O17S2	948.2954	NA	PeJP	NA	NA
+PJ095060	GCCNQMMY 	C36H56N10O12S4	948.2962	NA	PeJP	NA	NA
+PJ095061	GGGGACCMMY 	C36H56N10O12S4	948.2963	NA	PeJP	NA	NA
+PJ095062	GSDDDDYY 	C39H48N8O20	948.2985	NA	PeJP	NA	NA
+PJ095063	GSSSSSTCCM 	C32H56N10O17S3	948.2987	NA	PeJP	NA	NA
+PJ095064	GPCCDEYY 	C40H52N8O15S2	948.2994	NA	PeJP	NA	NA
+PJ095065	GSSCCCKMM 	C33H60N10O12S5	948.2996	NA	PeJP	NA	NA
+PJ095066	CCNNNNMH 	C33H52N14O13S3	948.3001	NA	PeJP	NA	NA
+PJ095067	CCEMMFW 	C41H56N8O10S4	948.3003	NA	PeJP	NA	NA
+PJ095068	GSDDMMMY 	C37H56N8O15S3	948.3028	NA	PeJP	NA	NA
+PJ095069	APCCMMMY 	C38H60N8O10S5	948.3036	NA	PeJP	NA	NA
+PJ095070	SPCCCNHW 	C38H52N12O11S3	948.3041	NA	PeJP	NA	NA
+PJ095071	NNNNDDDE 	C33H48N12O21	948.3057	NA	PeJP	NA	NA
+PJ095072	GGGGNNDDDE 	C33H48N12O21	948.3058	NA	PeJP	NA	NA
+PJ095073	SCNNDEMH 	C34H52N12O16S2	948.3066	NA	PeJP	NA	NA
+PJ095074	GSMMMMMM 	C35H64N8O10S6	948.307	NA	PeJP	NA	NA
+PJ095075	GCCCNMRY 	C35H56N12O11S4	948.3075	NA	PeJP	NA	NA
+PJ095076	GDDDDEHF 	C38H48N10O19	948.3098	NA	PeJP	NA	NA
+PJ095077	SSSCCNYW 	C39H52N10O14S2	948.3106	NA	PeJP	NA	NA
+MJ098455	Magnoloside A; 6-O-[?-D-Glucopyranosyl(1?4)-?-D-glucopyranosyl] 	C41H56O25	948.311067	NA	MeJP	NA	NA
+C17680	Magnoloside C	C41H56O25	948.3111	NA	KEGG	NA	NA
+PJ095078	GCCCCKFW 	C40H56N10O9S4	948.3115	NA	PeJP	NA	NA
+PJ095079	SSSSSCNDY 	C35H52N10O19S	948.3131	NA	PeJP	NA	NA
+PJ095080	GGGGPDDDEM 	C35H52N10O19S	948.3132	NA	PeJP	NA	NA
+PJ095081	SSCNNMMY 	C36H56N10O14S3	948.314	NA	PeJP	NA	NA
+PJ095082	GCDDEHHH 	C36H48N14O15S	948.3145	NA	PeJP	NA	NA
+PJ095083	PCCDYYW 	C44H52N8O12S2	948.3146	NA	PeJP	NA	NA
+PJ095084	CCDEFFW 	C44H52N8O12S2	948.3147	NA	PeJP	NA	NA
+PJ095085	PPCCMMMH 	C37H60N10O9S5	948.3149	NA	PeJP	NA	NA
+PJ095086	SSSSSSSSCM 	C32H56N10O19S2	948.3165	NA	PeJP	NA	NA
+PJ095087	NDDEMYY 	C40H52N8O17S	948.3171	NA	PeJP	NA	NA
+PJ095088	GGDDEMYY 	C40H52N8O17S	948.3172	NA	PeJP	NA	NA
+PJ095089	SSSTCCCKM 	C33H60N10O14S4	948.3174	NA	PeJP	NA	NA
+PJ095090	SCCNDDHR 	C33H52N14O15S2	948.3178	NA	PeJP	NA	NA
+PJ095091	GGSCCDDHR 	C33H52N14O15S2	948.3179	NA	PeJP	NA	NA
+PJ095092	SCEMMYW 	C41H56N8O12S3	948.318	NA	PeJP	NA	NA
+PJ095093	CCCCKKMM 	C34H64N10O9S6	948.3182	NA	PeJP	NA	NA
+PJ095094	PCCCCQHR 	C34H56N14O10S4	948.3187	NA	PeJP	NA	NA
+PJ095095	SPDDEEEE 	C36H52N8O22	948.3197	NA	PeJP	NA	NA
+PJ095096	SSSDEMMY 	C37H56N8O17S2	948.3205	NA	PeJP	NA	NA
+PJ095097	GNNNDDDW 	C37H48N12O18	948.321	NA	PeJP	NA	NA
+PJ095098	NEMMMMY 	C38H60N8O12S4	948.3214	NA	PeJP	NA	NA
+PJ095099	GSCNDMHW 	C38H52N12O13S2	948.3219	NA	PeJP	NA	NA
+PJ095100	PCNDDDDR 	C34H52N12O18S	948.3244	NA	PeJP	NA	NA
+PJ095101	SSTMMMMM 	C35H64N8O12S5	948.3248	NA	PeJP	NA	NA
+PJ095102	DDDDHFW 	C42H48N10O16	948.325	NA	PeJP	NA	NA
+PJ095103	SSCCCQRY 	C35H56N12O13S3	948.3252	NA	PeJP	NA	NA
+PJ095104	GGGGGDMMMH 	C35H56N12O13S3	948.3253	NA	PeJP	NA	NA
+PJ095105	CCNNFYW 	C43H52N10O11S2	948.3259	NA	PeJP	NA	NA
+PJ095106	GPNDDDMW 	C39H52N10O16S	948.3284	NA	PeJP	NA	NA
+PJ095107	GSCCCKYW 	C40H56N10O11S3	948.3293	NA	PeJP	NA	NA
+PJ095108	CDDHHHW 	C40H48N14O12S	948.3297	NA	PeJP	NA	NA
+PJ095109	GNNEEEEE 	C35H52N10O21	948.3309	NA	PeJP	NA	NA
+PJ095110	GSSSSCQMY 	C36H56N10O16S2	948.3317	NA	PeJP	NA	NA
+PJ095111	GGGSSSTCMY 	C36H56N10O16S2	948.3318	NA	PeJP	NA	NA
+PJ095112	SSDDDHHH 	C36H48N14O17	948.3322	NA	PeJP	NA	NA
+PJ095113	GDDMYYW 	C44H52N8O14S	948.3324	NA	PeJP	NA	NA
+PJ095114	CDMMMRY 	C37H60N10O11S4	948.3326	NA	PeJP	NA	NA
+PJ095115	SPCCEHHH 	C37H52N14O12S2	948.3331	NA	PeJP	NA	NA
+PJ095116	PCCMFYW 	C45H56N8O9S3	948.3333	NA	PeJP	NA	NA
+PJ095117	GSSDEEYY 	C40H52N8O19	948.3349	NA	PeJP	NA	NA
+PJ095118	SSSSCNNNH 	C33H52N14O17S	948.3356	NA	PeJP	NA	NA
+PJ095119	GSPCEMYY 	C41H56N8O14S2	948.3358	NA	PeJP	NA	NA
+PJ095120	GCCNEMHR 	C34H56N14O12S3	948.3365	NA	PeJP	NA	NA
+PJ095121	GMMMMYW 	C42H60N8O9S4	948.3366	NA	PeJP	NA	NA
+PJ095122	APCCMMFF 	C42H60N8O9S4	948.3367	NA	PeJP	NA	NA
+PJ095123	SCCQHWW 	C42H52N12O10S2	948.3371	NA	PeJP	NA	NA
+PJ095124	GPEEEEEM 	C37H56N8O19S	948.3383	NA	PeJP	NA	NA
+PJ095125	GSTEMMMY 	C38H60N8O14S3	948.3391	NA	PeJP	NA	NA
+PJ095126	SSSCNEHW 	C38H52N12O15S	948.3396	NA	PeJP	NA	NA
+PJ095127	QMMMMMF 	C39H64N8O9S5	948.34	NA	PeJP	NA	NA
+PJ095128	CNQMMHW 	C39H56N12O10S3	948.3405	NA	PeJP	NA	NA
+PJ095129	GNDDDEER 	C34H52N12O20	948.3421	NA	PeJP	NA	NA
+PJ095130	GGGGGGGGSEEE 	C34H52N12O20	948.3422	NA	PeJP	NA	NA
+PJ095131	GSSSSCCRY 	C35H56N12O15S2	948.343	NA	PeJP	NA	NA
+PJ095132	PCNDEWW 	C43H52N10O13S	948.3436	NA	PeJP	NA	NA
+PJ095133	GGPCDEWW 	C43H52N10O13S	948.3437	NA	PeJP	NA	NA
+PJ095134	ACCCCKRY 	C36H60N12O10S4	948.3439	NA	PeJP	NA	NA
+PJ095135	GCNNMHHH 	C36H52N16O11S2	948.3443	NA	PeJP	NA	NA
+PJ095136	GGGGGCMHHH 	C36H52N16O11S2	948.3444	NA	PeJP	NA	NA
+PJ095137	NNEEEEW 	C39H52N10O18	948.3461	NA	PeJP	NA	NA
+PJ095138	GGNEEEEW 	C39H52N10O18	948.3462	NA	PeJP	NA	NA
+PJ095139	SEEMMHW 	C40H56N10O13S2	948.347	NA	PeJP	NA	NA
+PJ095140	CEYYWW 	C48H52N8O11S	948.3477	NA	PeJP	NA	NA
+PJ095141	SSSSSSNMY 	C36H56N10O18S	948.3495	NA	PeJP	NA	NA
+PJ095142	SSDEYYW 	C44H52N8O16	948.3502	NA	PeJP	NA	NA
+PJ095143	SSCCQKMY 	C37H60N10O13S3	948.3504	NA	PeJP	NA	NA
+PJ095144	GCNNNNQW 	C37H52N14O14S	948.3508	NA	PeJP	NA	NA
+PJ095145	GGGCNNNQW 	C37H52N14O14S	948.3509	NA	PeJP	NA	NA
+PJ095146	SPCMYYW 	C45H56N8O11S2	948.351	NA	PeJP	NA	NA
+PJ095147	CMMMMFR 	C38H64N10O8S5	948.3513	NA	PeJP	NA	NA
+PJ095148	CCNMHRW 	C38H56N14O9S3	948.3517	NA	PeJP	NA	NA
+PJ095149	GSSNNNNNE 	C33H52N14O19	948.3533	NA	PeJP	NA	NA
+PJ095150	SNNNDDDR 	C33H52N14O19	948.3534	NA	PeJP	NA	NA
+PJ095151	PEEEEMW 	C41H56N8O16S	948.3535	NA	PeJP	NA	NA
+PJ095152	DYYYYY 	C49H52N6O14	948.3542	NA	PeJP	NA	NA
+PJ095153	GGGGGGPCCER 	C34H56N14O14S2	948.3543	NA	PeJP	NA	NA
+PJ095154	STMMMYW 	C42H60N8O11S3	948.3544	NA	PeJP	NA	NA
+PJ095155	GSSSCHWW 	C42H52N12O12S	948.3549	NA	PeJP	NA	NA
+PJ095156	PCCCCKHR 	C35H60N14O9S4	948.3551	NA	PeJP	NA	NA
+PJ095157	GLDEEEEE 	C37H56N8O21	948.356	NA	PeJP	NA	NA
+PJ095158	GVEEEEEE 	C37H56N8O21	948.3561	NA	PeJP	NA	NA
+PJ095159	SSTTEMMY 	C38H60N8O16S2	948.3569	NA	PeJP	NA	NA
+PJ095160	NDDDERW 	C38H52N12O17	948.3574	NA	PeJP	NA	NA
+PJ095161	DKMMMMY 	C39H64N8O11S4	948.3578	NA	PeJP	NA	NA
+PJ095162	GSSNMMHW 	C39H56N12O12S2	948.3582	NA	PeJP	NA	NA
+PJ095163	GGGSSMMHW 	C39H56N12O12S2	948.3583	NA	PeJP	NA	NA
+PJ095164	GPCDWWW 	C47H52N10O10S	948.3589	NA	PeJP	NA	NA
+PJ095165	SPCDDQER 	C35H56N12O17S	948.3607	NA	PeJP	NA	NA
+PJ095166	SPNDDDMR 	C35H56N12O17S	948.3608	NA	PeJP	NA	NA
+PJ095167	GNEEEWW 	C43H52N10O15	948.3614	NA	PeJP	NA	NA
+PJ095168	SSCCCKRY 	C36H60N12O12S3	948.3616	NA	PeJP	NA	NA
+PJ095169	SSCNQHHH 	C36H52N16O13S	948.3621	NA	PeJP	NA	NA
+PJ095170	GPPTCCWW 	C44H56N10O10S2	948.3623	NA	PeJP	NA	NA
+PJ095171	GSPNEEMW 	C40H56N10O15S	948.3648	NA	PeJP	NA	NA
+PJ095172	GDDFFYW 	C48H52N8O13	948.3654	NA	PeJP	NA	NA
+PJ095173	VDMMMHW 	C41H60N10O10S3	948.3656	NA	PeJP	NA	NA
+PJ095174	GGAPPCMMW 	C41H60N10O10S3	948.3657	NA	PeJP	NA	NA
+PJ095175	SDMHHHW 	C41H52N14O11S	948.3661	NA	PeJP	NA	NA
+PJ095176	PCCFFFW 	C49H56N8O8S2	948.3663	NA	PeJP	NA	NA
+PJ095177	GSSSSSSSTY 	C36H56N10O20	948.3673	NA	PeJP	NA	NA
+PJ095178	GSSSSCKMY 	C37H60N10O15S2	948.3681	NA	PeJP	NA	NA
+PJ095179	GGGAAPEEMM 	C37H60N10O15S2	948.3682	NA	PeJP	NA	NA
+PJ095180	SSNNNNNW 	C37H52N14O16	948.3686	NA	PeJP	NA	NA
+PJ095181	GTEMYYW 	C45H56N8O13S	948.3688	NA	PeJP	NA	NA
+PJ095182	SMMMMRY 	C38H64N10O10S4	948.369	NA	PeJP	NA	NA
+PJ095183	GSTCCHRW 	C38H56N14O11S2	948.3695	NA	PeJP	NA	NA
+PJ095184	GMMMFFW 	C46H60N8O8S3	948.3697	NA	PeJP	NA	NA
+PJ095185	GCNHFWW 	C46H52N12O9S	948.3701	NA	PeJP	NA	NA
+PJ095186	VEEEEEW 	C41H56N8O18	948.3713	NA	PeJP	NA	NA
+PJ095187	GSSSSCEHR 	C34H56N14O16S	948.372	NA	PeJP	NA	NA
+PJ095188	VNEMMYY 	C42H60N8O13S2	948.3722	NA	PeJP	NA	NA
+PJ095189	GDDDRWW 	C42H52N12O14	948.3726	NA	PeJP	NA	NA
+PJ095190	GGGGGGSEWW 	C42H52N12O14	948.3727	NA	PeJP	NA	NA
+PJ095191	MFYYYY 	C50H56N6O11S	948.3728	NA	PeJP	NA	NA
+PJ095192	PPCCCDRR 	C35H60N14O11S3	948.3729	NA	PeJP	NA	NA
+PJ095193	SCCKHWW 	C43H56N12O9S2	948.3735	NA	PeJP	NA	NA
+PJ095194	SPVEEEEM 	C38H60N8O18S	948.3747	NA	PeJP	NA	NA
+PJ095195	SSSLMMMY 	C39H64N8O13S3	948.3755	NA	PeJP	NA	NA
+PJ095196	GSPCDERW 	C39H56N12O14S	948.376	NA	PeJP	NA	NA
+PJ095197	KMMMMMF 	C40H68N8O8S5	948.3764	NA	PeJP	NA	NA
+PJ095198	NEEWWW 	C47H52N10O12	948.3767	NA	PeJP	NA	NA
+PJ095199	GPPCCMRW 	C40H60N12O9S3	948.3769	NA	PeJP	NA	NA
+MJ098456	Urdamycin H 	C50H60O18	948.377965	NA	MeJP	NA	NA
+PJ095200	GSNEEEER 	C35H56N12O19	948.3785	NA	PeJP	NA	NA
+PJ095201	GPNDEMMR 	C36H60N12O14S2	948.3794	NA	PeJP	NA	NA
+PJ095202	GSSSSNHHH 	C36H52N16O15	948.3798	NA	PeJP	NA	NA
+PJ095203	GGGSSSSHHH 	C36H52N16O15	948.3799	NA	PeJP	NA	NA
+PJ095204	SPNEMWW 	C44H56N10O12S	948.38	NA	PeJP	NA	NA
+PJ095205	PCCCKKMH 	C37H64N12O9S4	948.3803	NA	PeJP	NA	NA
+PJ095206	CEMHHHR 	C37H56N16O10S2	948.3807	NA	PeJP	NA	NA
+PJ095207	NDKEEEW 	C40H56N10O17	948.3825	NA	PeJP	NA	NA
+PJ095208	GGGGAPEEEF 	C40H56N10O17	948.3826	NA	PeJP	NA	NA
+PJ095209	GCNNDDRR 	C33H56N16O15S	948.3832	NA	PeJP	NA	NA
+PJ095210	GGGGGGGGGGTCR 	C33H56N16O15S	948.3833	NA	PeJP	NA	NA
+PJ095211	PQQEMMW 	C41H60N10O12S2	948.3834	NA	PeJP	NA	NA
+PJ095212	GSPNDHHW 	C41H52N14O13	948.3839	NA	PeJP	NA	NA
+PJ095213	TMYYWW 	C49H56N8O10S	948.384	NA	PeJP	NA	NA
+PJ095214	GDMFFFW 	C49H56N8O10S	948.3841	NA	PeJP	NA	NA
+PJ095215	AMMHHHW 	C42H56N14O8S2	948.3847	NA	PeJP	NA	NA
+PJ095216	SSSSSTCKY 	C37H60N10O17S	948.3859	NA	PeJP	NA	NA
+PJ095217	STTEYYW 	C45H56N8O15	948.3865	NA	PeJP	NA	NA
+PJ095218	PPEEEYW 	C45H56N8O15	948.3866	NA	PeJP	NA	NA
+PJ095219	SSCCKKMY 	C38H64N10O12S3	948.3868	NA	PeJP	NA	NA
+PJ095220	SSSSCHRW 	C38H56N14O13S	948.3872	NA	PeJP	NA	NA
+PJ095221	GGGGNDMRW 	C38H56N14O13S	948.3873	NA	PeJP	NA	NA
+PJ095222	GVMMYYW 	C46H60N8O10S2	948.3874	NA	PeJP	NA	NA
+PJ095223	GSNNWWW 	C46H52N12O11	948.3879	NA	PeJP	NA	NA
+PJ095224	NMHHHHH 	C39H52N18O9S	948.3886	NA	PeJP	NA	NA
+PJ095225	SSSSSSDHR 	C34H56N14O18	948.3897	NA	PeJP	NA	NA
+PJ095226	GSDDDERR 	C34H56N14O18	948.3898	NA	PeJP	NA	NA
+PJ095227	SKEEMYY 	C42H60N8O15S	948.3899	NA	PeJP	NA	NA
+PJ095228	GPCDDMRR 	C35H60N14O13S2	948.3906	NA	PeJP	NA	NA
+PJ095229	VQMMMFY 	C43H64N8O10S3	948.3908	NA	PeJP	NA	NA
+PJ095230	ANNQMWW 	C43H56N12O11S	948.3912	NA	PeJP	NA	NA
+PJ095231	SPCDRWW 	C43H56N12O11S	948.3913	NA	PeJP	NA	NA
+PJ095232	GEWWWW 	C51H52N10O9	948.3919	NA	PeJP	NA	NA
+PJ095233	ATLEEEEE 	C38H60N8O20	948.3924	NA	PeJP	NA	NA
+PJ095234	TTTTTMMY 	C39H64N8O15S2	948.3933	NA	PeJP	NA	NA
+PJ095235	ASSSSSTHW 	C39H56N12O16	948.3937	NA	PeJP	NA	NA
+PJ095236	SNEEERW 	C39H56N12O16	948.3938	NA	PeJP	NA	NA
+PJ095237	PNDMMRW 	C40H60N12O11S2	948.3946	NA	PeJP	NA	NA
+PJ095238	GGGGGPCKMW 	C40H60N12O11S2	948.3947	NA	PeJP	NA	NA
+PJ095239	NNNQHHW 	C40H52N16O12	948.3951	NA	PeJP	NA	NA
+PJ095240	GSPMWWW 	C48H56N10O9S	948.3953	NA	PeJP	NA	NA
+PJ095241	QQEEEMR 	C36H60N12O16S	948.3971	NA	PeJP	NA	NA
+PJ095242	GGGVDEEMR 	C36H60N12O16S	948.3972	NA	PeJP	NA	NA
+PJ095243	GDKEEWW 	C44H56N10O14	948.3978	NA	PeJP	NA	NA
+PJ095244	SPPCQMMR 	C37H64N12O11S3	948.398	NA	PeJP	NA	NA
+PJ095245	GPCNEHHR 	C37H56N16O12S	948.3985	NA	PeJP	NA	NA
+PJ095246	MMRYYW 	C45H60N10O9S2	948.3986	NA	PeJP	NA	NA
+PJ095247	APQMMWW 	C45H60N10O9S2	948.3987	NA	PeJP	NA	NA
+PJ095248	GEHHHFW 	C45H52N14O10	948.3991	NA	PeJP	NA	NA
+PJ095249	GSSSNNNNR 	C33H56N16O17	948.401	NA	PeJP	NA	NA
+PJ095250	STEMRYY 	C41H60N10O14S	948.4011	NA	PeJP	NA	NA
+PJ095251	VQQEEMW 	C41H60N10O14S	948.4012	NA	PeJP	NA	NA
+PJ095252	GPTYYYW 	C49H56N8O12	948.4018	NA	PeJP	NA	NA
+PJ095253	GGSPCCNRR 	C34H60N16O12S2	948.4019	NA	PeJP	NA	NA
+PJ095254	TLMMMHW 	C42H64N10O9S3	948.402	NA	PeJP	NA	NA
+MJ098457	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-sulfo-?-L-arabinopyranoside], 3-O-?-D-glucopyranoside 	C44H68O20S	948.402465	NA	MeJP	NA	NA
+PJ095255	GCNQRWW 	C42H56N14O10S	948.4025	NA	PeJP	NA	NA
+PJ095256	ASSPTTQEE 	C37H60N10O19	948.4036	NA	PeJP	NA	NA
+PJ095257	GTQKEEEE 	C37H60N10O19	948.4037	NA	PeJP	NA	NA
+PJ095258	STTLEMMH 	C38H64N10O14S2	948.4045	NA	PeJP	NA	NA
+PJ095259	SDDDRRW 	C38H56N14O15	948.405	NA	PeJP	NA	NA
+PJ095260	SSLMYYW 	C46H60N8O12S	948.4052	NA	PeJP	NA	NA
+PJ095261	GVLMMMMH 	C39H68N10O9S4	948.4054	NA	PeJP	NA	NA
+PJ095262	FFFYYY 	C54H56N6O10	948.4058	NA	PeJP	NA	NA
+PJ095263	PCCERRW 	C39H60N14O10S2	948.4059	NA	PeJP	NA	NA
+PJ095264	GSTHHHHH 	C39H52N18O11	948.4063	NA	PeJP	NA	NA
+PJ095265	GGGPNHHHH 	C39H52N18O11	948.4064	NA	PeJP	NA	NA
+PJ095266	WWWWW 	C55H52N10O6	948.4072	NA	PeJP	NA	NA
+PJ095267	SSSTLEYY 	C42H60N8O17	948.4077	NA	PeJP	NA	NA
+PJ095268	NDEEMRR 	C35H60N14O15S	948.4084	NA	PeJP	NA	NA
+PJ095269	VDKMMYY 	C43H64N8O12S2	948.4085	NA	PeJP	NA	NA
+PJ095270	PPPVDMMY 	C43H64N8O12S2	948.4086	NA	PeJP	NA	NA
+PJ095271	GSEERWW 	C43H56N12O13	948.409	NA	PeJP	NA	NA
+PJ095272	SPPCCMRR 	C36H64N14O10S3	948.4092	NA	PeJP	NA	NA
+PJ095273	APCMRWW 	C44H60N12O8S2	948.4099	NA	PeJP	NA	NA
+PJ095274	GLLEEEEM 	C39H64N8O17S	948.4111	NA	PeJP	NA	NA
+PJ095275	PPTLEMMM 	C40H68N8O12S3	948.4119	NA	PeJP	NA	NA
+PJ095276	AQEEMRW 	C40H60N12O13S	948.4124	NA	PeJP	NA	NA
+PJ095277	DKEWWW 	C48H56N10O11	948.413	NA	PeJP	NA	NA
+PJ095278	GGAPEFWW 	C48H56N10O11	948.4131	NA	PeJP	NA	NA
+PJ095279	PMMMHFR 	C41H64N12O8S3	948.4133	NA	PeJP	NA	NA
+PJ095280	PCNHHRW 	C41H56N16O9S	948.4137	NA	PeJP	NA	NA
+PJ095281	HHHFWW 	C49H52N14O7	948.4144	NA	PeJP	NA	NA
+PJ095282	GSDKEEER 	C36H60N12O18	948.4149	NA	PeJP	NA	NA
+PJ095283	GPTQEMMR 	C37H64N12O13S2	948.4158	NA	PeJP	NA	NA
+PJ095284	GNNNNNFR 	C37H56N16O14	948.4162	NA	PeJP	NA	NA
+PJ095285	GGGGGGGNNFR 	C37H56N16O14	948.4163	NA	PeJP	NA	NA
+PJ095286	GLQEMWW 	C45H60N10O11S	948.4164	NA	PeJP	NA	NA
+PJ095287	LMMMMHR 	C38H68N12O8S4	948.4166	NA	PeJP	NA	NA
+PJ095288	TFFYWW 	C53H56N8O9	948.4171	NA	PeJP	NA	NA
+PJ095289	TQKEEEW 	C41H60N10O16	948.4189	NA	PeJP	NA	NA
+PJ095290	CDDERRR 	C34H60N16O14S	948.4196	NA	PeJP	NA	NA
+PJ095291	PQKEMMW 	C42H64N10O11S2	948.4198	NA	PeJP	NA	NA
+PJ095292	SSNNRWW 	C42H56N14O12	948.4202	NA	PeJP	NA	NA
+PJ095293	GGSSNRWW 	C42H56N14O12	948.4203	NA	PeJP	NA	NA
+PJ095294	GVMFFYW 	C50H60N8O9S	948.4204	NA	PeJP	NA	NA
+PJ095295	GVQKEEEM 	C38H64N10O16S	948.4223	NA	PeJP	NA	NA
+PJ095296	PLEEEFW 	C46H60N8O14	948.4229	NA	PeJP	NA	NA
+PJ095297	SSLLMMMH 	C39H68N10O11S3	948.4232	NA	PeJP	NA	NA
+PJ095298	GDEMRRW 	C39H60N14O12S	948.4236	NA	PeJP	NA	NA
+PJ095299	GGGGGGGPMFR 	C39H60N14O12S	948.4237	NA	PeJP	NA	NA
+PJ095300	VQMMFFF 	C47H64N8O9S2	948.4238	NA	PeJP	NA	NA
+PJ095301	SERWWW 	C47H56N12O10	948.4243	NA	PeJP	NA	NA
+PJ095302	GSSEEERR 	C35H60N14O17	948.4261	NA	PeJP	NA	NA
+PJ095303	GGGGGGGGGSTTK 	C35H60N14O17	948.4262	NA	PeJP	NA	NA
+PJ095304	LLEEEMW 	C43H64N8O14S	948.4263	NA	PeJP	NA	NA
+PJ095305	GSPDMMRR 	C36H64N14O12S2	948.427	NA	PeJP	NA	NA
+PJ095306	VKMMMFY 	C44H68N8O9S3	948.4272	NA	PeJP	NA	NA
+PJ095307	NDDHHRR 	C36H56N18O13	948.4275	NA	PeJP	NA	NA
+PJ095308	AAEMRWW 	C44H60N12O10S	948.4276	NA	PeJP	NA	NA
+PJ095309	GVDMRWW 	C44H60N12O10S	948.4277	NA	PeJP	NA	NA
+PJ095310	SVWWWW 	C52H56N10O8	948.4283	NA	PeJP	NA	NA
+PJ095311	STLLEEEE 	C39H64N8O19	948.4288	NA	PeJP	NA	NA
+PJ095312	SPLLEEMM 	C40H68N8O14S2	948.4297	NA	PeJP	NA	NA
+PJ095313	TTQEERW 	C40H60N12O15	948.4301	NA	PeJP	NA	NA
+PJ095314	SDKEERW 	C40H60N12O15	948.4302	NA	PeJP	NA	NA
+PJ095315	PPVLMMMM 	C41H72N8O9S4	948.4306	NA	PeJP	NA	NA
+PJ095316	PTQMMRW 	C41H64N12O10S2	948.431	NA	PeJP	NA	NA
+PJ095317	GQEHHRW 	C41H56N16O11	948.4315	NA	PeJP	NA	NA
+PJ095318	LQMWWW 	C49H60N10O8S	948.4317	NA	PeJP	NA	NA
+PJ095319	QKEEEMR 	C37H64N12O15S	948.4335	NA	PeJP	NA	NA
+PJ095320	ATKEEWW 	C45H60N10O13	948.4342	NA	PeJP	NA	NA
+PJ095321	GPVQMMMR 	C38H68N12O10S3	948.4344	NA	PeJP	NA	NA
+PJ095322	SCNQRRW 	C38H60N16O11S	948.4348	NA	PeJP	NA	NA
+PJ095323	GGSCQRRW 	C38H60N16O11S	948.4349	NA	PeJP	NA	NA
+PJ095324	APKMMWW 	C46H64N10O8S2	948.435	NA	PeJP	NA	NA
+PJ095325	GVQHHWW 	C46H56N14O9	948.4355	NA	PeJP	NA	NA
+PJ095326	SSSNNERR 	C34H60N16O16	948.4374	NA	PeJP	NA	NA
+PJ095327	VQKEEMW 	C42H64N10O13S	948.4375	NA	PeJP	NA	NA
+PJ095328	GGLKEEMW 	C42H64N10O13S	948.4376	NA	PeJP	NA	NA
+PJ095329	AALYYYW 	C50H60N8O11	948.4382	NA	PeJP	NA	NA
+PJ095330	GGGGGAMMRR 	C35H64N16O11S2	948.4383	NA	PeJP	NA	NA
+MJ098458	3,6,20-Trihydroxycholest-9(11)-en-23-one, 6-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-6-deoxy-?-D-glucopyranosyl-(1?3)-6-deoxy-?-D-xylo-hexopyranosid-4-uloside], 3-O-sulfate 	C45H72O19S	948.43885	NA	MeJP	NA	NA
+PJ095331	DMRRWW 	C43H60N14O9S	948.4389	NA	PeJP	NA	NA
+PJ095332	SSLQKEEE 	C38H64N10O18	948.44	NA	PeJP	NA	NA
+PJ095333	GTKKEEEE 	C38H64N10O18	948.4401	NA	PeJP	NA	NA
+PJ095334	GPKKEEMM 	C39H68N10O13S2	948.4409	NA	PeJP	NA	NA
+PJ095335	SSEERRW 	C39H60N14O14	948.4414	NA	PeJP	NA	NA
+PJ095336	PCLKYYY 	C47H64N8O11S	948.4415	NA	PeJP	NA	NA
+PJ095337	PTKMFYY 	C47H64N8O11S	948.4416	NA	PeJP	NA	NA
+PJ095338	PTCMRRW 	C40H64N14O9S2	948.4423	NA	PeJP	NA	NA
+PJ095339	PEHHHHR 	C40H56N18O10	948.4427	NA	PeJP	NA	NA
+PJ095340	CLRWWW 	C48H60N12O7S	948.4429	NA	PeJP	NA	NA
+PJ095341	STTTTLYY 	C43H64N8O16	948.444	NA	PeJP	NA	NA
+PJ095342	GPLLEEEY 	C43H64N8O16	948.4441	NA	PeJP	NA	NA
+PJ095343	TQEEMRR 	C36H64N14O14S	948.4447	NA	PeJP	NA	NA
+PJ095344	GATEEMRR 	C36H64N14O14S	948.4448	NA	PeJP	NA	NA
+PJ095345	TLKMMYY 	C44H68N8O11S2	948.4449	NA	PeJP	NA	NA
+PJ095346	ATTERWW 	C44H60N12O12	948.4454	NA	PeJP	NA	NA
+PJ095347	PQMMMRR 	C37H68N14O9S3	948.4456	NA	PeJP	NA	NA
+PJ095348	GSPCHHRR 	C37H60N18O10S	948.4461	NA	PeJP	NA	NA
+PJ095349	QHHRWW 	C45H56N16O8	948.4467	NA	PeJP	NA	NA
+PJ095350	GAHHRWW 	C45H56N16O8	948.4468	NA	PeJP	NA	NA
+PJ095351	SVLLEEEM 	C40H68N8O16S	948.4474	NA	PeJP	NA	NA
+PJ095352	PVVLEMMM 	C41H72N8O11S3	948.4483	NA	PeJP	NA	NA
+PJ095353	AKEEMRW 	C41H64N12O12S	948.4488	NA	PeJP	NA	NA
+PJ095354	GTTLWWW 	C49H60N10O10	948.4494	NA	PeJP	NA	NA
+PJ095355	CNNMRRR 	C34H64N18O10S2	948.4495	NA	PeJP	NA	NA
+PJ095356	CLHHHFR 	C42H60N16O8S	948.4501	NA	PeJP	NA	NA
+PJ095357	GTTKEEER 	C37H64N12O17	948.4513	NA	PeJP	NA	NA
+PJ095358	SSPLQMMR 	C38H68N12O12S2	948.4521	NA	PeJP	NA	NA
+PJ095359	GPTKEMMR 	C38H68N12O12S2	948.4522	NA	PeJP	NA	NA
+PJ095360	GSSSNRRW 	C38H60N16O13	948.4526	NA	PeJP	NA	NA
+PJ095361	GLKEMWW 	C46H64N10O10S	948.4528	NA	PeJP	NA	NA
+PJ095362	GVFFFFW 	C54H60N8O8	948.4535	NA	PeJP	NA	NA
+PJ095363	TKKEEEW 	C42H64N10O15	948.4553	NA	PeJP	NA	NA
+PJ095364	SDEMRRR 	C35H64N16O13S	948.456	NA	PeJP	NA	NA
+PJ095365	PKKEMMW 	C43H68N10O10S2	948.4562	NA	PeJP	NA	NA
+PJ095366	GPDRRYW 	C43H60N14O11	948.4566	NA	PeJP	NA	NA
+PJ095367	GGGAAQFRW 	C43H60N14O11	948.4567	NA	PeJP	NA	NA
+PJ095368	PCMMRRR 	C36H68N16O8S3	948.4569	NA	PeJP	NA	NA
+PJ095369	GVKKEEEM 	C39H68N10O15S	948.4587	NA	PeJP	NA	NA
+PJ095370	PLLEEYW 	C47H64N8O13	948.4593	NA	PeJP	NA	NA
+PJ095371	SPPKKMMM 	C40H72N10O10S3	948.4595	NA	PeJP	NA	NA
+PJ095372	GAAPLKMMM 	C40H72N10O10S3	948.4596	NA	PeJP	NA	NA
+PJ095373	ATEMRRW 	C40H64N14O11S	948.46	NA	PeJP	NA	NA
+PJ095374	VKMMFFF 	C48H68N8O8S2	948.4602	NA	PeJP	NA	NA
+PJ095375	AAPRYWW 	C48H60N12O9	948.4607	NA	PeJP	NA	NA
+PJ095376	GTTTEERR 	C36H64N14O16	948.4625	NA	PeJP	NA	NA
+PJ095377	SPPLLEMY 	C44H68N8O13S	948.4627	NA	PeJP	NA	NA
+PJ095378	VQEMMRR 	C37H68N14O11S2	948.4634	NA	PeJP	NA	NA
+PJ095379	SQEHHRR 	C37H60N18O12	948.4638	NA	PeJP	NA	NA
+PJ095380	GGTEHHRR 	C37H60N18O12	948.4639	NA	PeJP	NA	NA
+PJ095381	GTLMRWW 	C45H64N12O9S	948.464	NA	PeJP	NA	NA
+PJ095382	PKFWWW 	C53H60N10O7	948.4647	NA	PeJP	NA	NA
+PJ095383	ALLLEEMM 	C41H72N8O13S2	948.4661	NA	PeJP	NA	NA
+PJ095384	TTKEERW 	C41H64N12O14	948.4665	NA	PeJP	NA	NA
+PJ095385	GGGGGPKKEY 	C41H64N12O14	948.4666	NA	PeJP	NA	NA
+PJ095386	GSSCQRRR 	C34H64N18O12S	948.4672	NA	PeJP	NA	NA
+PJ095387	PTKMMRW 	C42H68N12O9S2	948.4674	NA	PeJP	NA	NA
+PJ095388	GNNFRRW 	C42H60N16O10	948.4679	NA	PeJP	NA	NA
+PJ095389	LKMWWW 	C50H64N10O7S	948.4681	NA	PeJP	NA	NA
+PJ095390	KKEEEMR 	C38H68N12O14S	948.4699	NA	PeJP	NA	NA
+PJ095391	STLKEWW 	C46H64N10O12	948.4705	NA	PeJP	NA	NA
+PJ095392	TTLDKWW 	C46H64N10O12	948.4706	NA	PeJP	NA	NA
+PJ095393	GPVKMMMR 	C39H72N12O9S3	948.4708	NA	PeJP	NA	NA
+PJ095394	SCNKRRW 	C39H64N16O10S	948.4712	NA	PeJP	NA	NA
+PJ095395	GGSCKRRW 	C39H64N16O10S	948.4713	NA	PeJP	NA	NA
+PJ095396	APPHRWW 	C47H60N14O8	948.4719	NA	PeJP	NA	NA
+PJ095397	SSSNDKRR 	C35H64N16O15	948.4737	NA	PeJP	NA	NA
+PJ095398	GGSSSDKRR 	C35H64N16O15	948.4738	NA	PeJP	NA	NA
+PJ095399	VKKEEMW 	C43H68N10O12S	948.4739	NA	PeJP	NA	NA
+PJ095400	PTKFFFY 	C51H64N8O10	948.4746	NA	PeJP	NA	NA
+PJ095401	GPMFRRW 	C44H64N14O8S	948.4753	NA	PeJP	NA	NA
+PJ095402	SSLKKEEE 	C39H68N10O17	948.4764	NA	PeJP	NA	NA
+PJ095403	SPVKKEMM 	C40H72N10O12S2	948.4773	NA	PeJP	NA	NA
+PJ095404	LNQQQRY 	C40H64N14O13	948.4777	NA	PeJP	NA	NA
+PJ095405	TTTERRW 	C40H64N14O13	948.4778	NA	PeJP	NA	NA
+PJ095406	VVKMFYY 	C48H68N8O10S	948.4779	NA	PeJP	NA	NA
+PJ095407	PPPVVMFY 	C48H68N8O10S	948.478	NA	PeJP	NA	NA
+PJ095408	GLMMRRW 	C41H68N14O8S2	948.4786	NA	PeJP	NA	NA
+PJ095409	GTHHRRW 	C41H60N18O9	948.4791	NA	PeJP	NA	NA
+PJ095410	SPVLLEEY 	C44H68N8O15	948.4804	NA	PeJP	NA	NA
+PJ095411	PVVTLEEY 	C44H68N8O15	948.4805	NA	PeJP	NA	NA
+PJ095412	TKEEMRR 	C37H68N14O13S	948.4811	NA	PeJP	NA	NA
+PJ095413	GGGSKKEMR 	C37H68N14O13S	948.4812	NA	PeJP	NA	NA
+PJ095414	PPVVLMMY 	C45H72N8O10S2	948.4813	NA	PeJP	NA	NA
+PJ095415	STTLRWW 	C45H64N12O11	948.4818	NA	PeJP	NA	NA
+PJ095416	PKMMMRR 	C38H72N14O8S3	948.482	NA	PeJP	NA	NA
+PJ095417	VNMHHRR 	C38H64N18O9S	948.4825	NA	PeJP	NA	NA
+PJ095418	KHHRWW 	C46H60N16O7	948.4831	NA	PeJP	NA	NA
+PJ095419	TTLLLEEM 	C41H72N8O15S	948.4838	NA	PeJP	NA	NA
+PJ095420	PTLLLMMM 	C42H76N8O10S3	948.4847	NA	PeJP	NA	NA
+PJ095421	SSSSNRRR 	C34H64N18O14	948.485	NA	PeJP	NA	NA
+PJ095422	SLKEMRW 	C42H68N12O11S	948.4852	NA	PeJP	NA	NA
+PJ095423	GPLKYWW 	C50H64N10O9	948.4858	NA	PeJP	NA	NA
+PJ095424	CCQKRRR 	C35H68N18O9S2	948.4859	NA	PeJP	NA	NA
+PJ095425	APTTTTTTR 	C38H68N12O16	948.4876	NA	PeJP	NA	NA
+PJ095426	SSTLKEER 	C38H68N12O16	948.4877	NA	PeJP	NA	NA
+PJ095427	AALKEMMR 	C39H72N12O11S2	948.4885	NA	PeJP	NA	NA
+PJ095428	GGGGALKKMM 	C39H72N12O11S2	948.4886	NA	PeJP	NA	NA
+7861	peptide isolated from marine rotifier (Brachionus rotundiformis)	DLGLGLPGAH	948.4889	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ095429	SPDRRRY 	C39H64N16O12	948.489	NA	PeJP	NA	NA
+PJ095430	SVLKMWW 	C47H68N10O9S	948.4892	NA	PeJP	NA	NA
+PJ095431	SSSLLKEW 	C43H68N10O14	948.4917	NA	PeJP	NA	NA
+PJ095432	TTEMRRR 	C36H68N16O12S	948.4924	NA	PeJP	NA	NA
+PJ095433	LLQKMMW 	C44H72N10O9S2	948.4926	NA	PeJP	NA	NA
+MJ098459	3,14-Clerodadiene-6,13-diol, 6-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 13-[?-L-rhamnopyranosyl-(1?4)-?-D-fucopyranoside] 	C46H76O20	948.492994	NA	MeJP	NA	NA
+MJ098460	Furost-25(27)-ene-3,12,22,26-tetrol, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 26-O-?-D-glucopyranoside, 22-Me ether 	C46H76O20	948.492994	NA	MeJP	NA	NA
+PJ095434	APTRRYW 	C44H64N14O10	948.493	NA	PeJP	NA	NA
+PJ095435	GMHHRRR 	C37H64N20O8S	948.4937	NA	PeJP	NA	NA
+PJ095436	SSSSPLLKM 	C40H72N10O14S	948.495	NA	PeJP	NA	NA
+PJ095437	ATLKKEEM 	C40H72N10O14S	948.4951	NA	PeJP	NA	NA
+MJ098461	Cycloheptamycin 	C48H68N8O12	948.495669	NA	MeJP	NA	NA
+PJ095438	LLLEEFW 	C48H68N8O12	948.4957	NA	PeJP	NA	NA
+PJ095439	APLKKMMM 	C41H76N10O9S3	948.4959	NA	PeJP	NA	NA
+PJ095440	STLMRRW 	C41H68N14O10S	948.4964	NA	PeJP	NA	NA
+PJ095441	AALFRWW 	C49H64N12O8	948.4971	NA	PeJP	NA	NA
+PJ095442	SSTTLERR 	C37H68N14O15	948.4989	NA	PeJP	NA	NA
+PJ095443	APLLLEMY 	C45H72N8O12S	948.4991	NA	PeJP	NA	NA
+PJ095444	VKEMMRR 	C38H72N14O10S2	948.4998	NA	PeJP	NA	NA
+PJ095445	GNQRRRY 	C38H64N18O11	948.5002	NA	PeJP	NA	NA
+PJ095446	GGGGARRRY 	C38H64N18O11	948.5003	NA	PeJP	NA	NA
+PJ095447	ACKKKWW 	C46H68N12O8S	948.5004	NA	PeJP	NA	NA
+PJ095448	SLLLLEMM 	C42H76N8O12S2	948.5025	NA	PeJP	NA	NA
+PJ095449	SSSTLLRW 	C42H68N12O13	948.5029	NA	PeJP	NA	NA
+PJ095450	GGGGGGAPPPLL 	C42H68N12O13	948.503	NA	PeJP	NA	NA
+PJ095451	GSSCKRRR 	C35H68N18O11S	948.5036	NA	PeJP	NA	NA
+PJ095452	VVKMMRW 	C43H72N12O8S2	948.5038	NA	PeJP	NA	NA
+PJ095453	EFRRRW 	C43H64N16O9	948.5043	NA	PeJP	NA	NA
+PJ095454	ATTLKEMR 	C39H72N12O13S	948.5063	NA	PeJP	NA	NA
+PJ095455	PVKKEYW 	C47H68N10O11	948.5069	NA	PeJP	NA	NA
+PJ095456	GGGALLLYW 	C47H68N10O11	948.507	NA	PeJP	NA	NA
+PJ095457	APMRRRY 	C40H68N16O9S	948.5076	NA	PeJP	NA	NA
+PJ095458	VFRRWW 	C48H64N14O7	948.5083	NA	PeJP	NA	NA
+PJ095459	SSSTQKRR 	C36H68N16O14	948.5101	NA	PeJP	NA	NA
+PJ095460	GTTLLKMW 	C44H72N10O11S	948.5103	NA	PeJP	NA	NA
+PJ095461	VVKFFFY 	C52H68N8O9	948.511	NA	PeJP	NA	NA
+PJ095462	STHHRRR 	C37H64N20O10	948.5115	NA	PeJP	NA	NA
+PJ095463	TTTLKKEE 	C40H72N10O16	948.5128	NA	PeJP	NA	NA
+PJ095464	GLLKKEMM 	C41H76N10O11S2	948.5137	NA	PeJP	NA	NA
+PJ095465	ASSSKKRW 	C41H68N14O12	948.5141	NA	PeJP	NA	NA
+PJ095466	GSSTKKRW 	C41H68N14O12	948.5142	NA	PeJP	NA	NA
+MJ098462	Patellin 5 	C49H72N8O9S	948.514296	NA	MeJP	NA	NA
+PJ095467	PPVVLMFF 	C49H72N8O9S	948.5143	NA	PeJP	NA	NA
+PJ095468	LLHHHHR 	C42H64N18O8	948.5155	NA	PeJP	NA	NA
+PJ095469	GLLLLEEY 	C45H72N8O14	948.5168	NA	PeJP	NA	NA
+PJ095470	SSSLLMRR 	C38H72N14O12S	948.5175	NA	PeJP	NA	NA
+PJ095471	PVVLLMMF 	C46H76N8O9S2	948.5177	NA	PeJP	NA	NA
+PJ095472	SSKKKWW 	C46H68N12O10	948.5182	NA	PeJP	NA	NA
+PJ095473	PPMHRRR 	C39H68N18O8S	948.5189	NA	PeJP	NA	NA
+PJ095474	VVLLLMMM 	C43H80N8O9S3	948.5211	NA	PeJP	NA	NA
+PJ095475	TQKKKMW 	C43H72N12O10S	948.5215	NA	PeJP	NA	NA
+PJ095476	GATKKKMW 	C43H72N12O10S	948.5216	NA	PeJP	NA	NA
+PJ095477	GLLKFWW 	C51H68N10O8	948.5222	NA	PeJP	NA	NA
+PJ095478	TTTTLKER 	C39H72N12O15	948.524	NA	PeJP	NA	NA
+PJ095479	SSDKKKKE 	C39H72N12O15	948.5241	NA	PeJP	NA	NA
+PJ095480	GTLLKMMR 	C40H76N12O10S2	948.5249	NA	PeJP	NA	NA
+PJ095481	GLERRRY 	C40H68N16O11	948.5254	NA	PeJP	NA	NA
+PJ095482	PLKKMFW 	C48H72N10O8S	948.5256	NA	PeJP	NA	NA
+PJ095483	STTTLLKW 	C44H72N10O13	948.5281	NA	PeJP	NA	NA
+PJ095484	GSSKKMRR 	C37H72N16O11S	948.5288	NA	PeJP	NA	NA
+PJ095485	LLKKMMW 	C45H76N10O8S2	948.5289	NA	PeJP	NA	NA
+MJ098463	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?2)-?-D-glucopyranoside] 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098464	20,24-Epoxydammarane-3,6,12,25-tetrol, 6-O-[?-D-Glucopyranosyl-(1?6)-[?-D-xylopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098465	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098466	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 29-O-?-D-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098467	21-Baccharene-3,18,23,28,29-pentol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098468	Antibiotic YL 02107Q-B 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098469	Cucurbit-5-ene-3,22,23,24,25-pentol, 3-O-[6-O-?-D-Glucopyranosyl-4-O-?-D-xylopyranosyl-?-D-glucopyranoside] 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098470	Cycloartane-3,16,20,24,25-pentol, 16-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside], 20-O-?-L-arabinopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098471	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 16,25-di-O-?-D-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098472	Cycloartane-3,6,16,24,25-pentol, 3-O-?-D-Xylopyranoside, 6,24-di-O-?-D-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098473	Cycloartane-3,6,16,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 6-O-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098474	Dammar-23-ene-3,6,12,20,25-pentol, 6-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+MJ098475	Dammar-24-ene-3,6,12,17,20-pentol, 20-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 6-O-?-D-xylopyranoside 	C47H80O19	948.52938	NA	MeJP	NA	NA
+PJ095486	GVLRRYW 	C45H68N14O9	948.5294	NA	PeJP	NA	NA
+PJ095487	STLLKKEM 	C41H76N10O13S	948.5314	NA	PeJP	NA	NA
+PJ095488	LLLLEYW 	C49H72N8O11	948.5321	NA	PeJP	NA	NA
+PJ095489	TCKKKRW 	C42H72N14O9S	948.5328	NA	PeJP	NA	NA
+PJ095490	TTTTTLRR 	C38H72N14O14	948.5353	NA	PeJP	NA	NA
+PJ095491	SPLLLLMY 	C46H76N8O11S	948.5355	NA	PeJP	NA	NA
+PJ095492	QKKKMMR 	C39H76N14O9S2	948.5362	NA	PeJP	NA	NA
+PJ095493	GNKRRRY 	C39H68N18O10	948.5366	NA	PeJP	NA	NA
+PJ095494	GTTTKKKW 	C43H72N12O12	948.5393	NA	PeJP	NA	NA
+PJ095495	LRRRYW 	C44H68N16O8	948.5406	NA	PeJP	NA	NA
+PJ095496	PVVHRRW 	C44H68N16O8	948.5407	NA	PeJP	NA	NA
+PJ095497	STTLLKMR 	C40H76N12O12S	948.5427	NA	PeJP	NA	NA
+PJ095498	VLLQKYW 	C48H72N10O10	948.5433	NA	PeJP	NA	NA
+PJ095499	ALMFRRR 	C41H72N16O8S	948.544	NA	PeJP	NA	NA
+MJ098476	Actinoplanic acid 	C51H80O16	948.544636	NA	MeJP	NA	NA
+MJ098477	Antibiotic PF 1022; Antibiotic PF 1022A 	C52H76N4O12	948.545973	NA	MeJP	NA	NA
+PJ095500	SSSTKKRR 	C37H72N16O13	948.5465	NA	PeJP	NA	NA
+PJ095501	GPLLKKMY 	C45H76N10O10S	948.5467	NA	PeJP	NA	NA
+PJ095502	CKKKMRR 	C38H76N16O8S2	948.5474	NA	PeJP	NA	NA
+PJ095503	SSSTTLLLK 	C41H76N10O15	948.5492	NA	PeJP	NA	NA
+PJ095504	SVLLKKMM 	C42H80N10O10S2	948.5501	NA	PeJP	NA	NA
+PJ095505	VVKERRY 	C42H72N14O11	948.5505	NA	PeJP	NA	NA
+PJ095506	GGGALKKRY 	C42H72N14O11	948.5506	NA	PeJP	NA	NA
+PJ095507	SVLLLLEY 	C46H76N8O13	948.5532	NA	PeJP	NA	NA
+PJ095508	GTTKKKMR 	C39H76N14O11S	948.5539	NA	PeJP	NA	NA
+PJ095509	ALLKRYW 	C47H72N12O9	948.5546	NA	PeJP	NA	NA
+PJ095510	TKKKKMW 	C44H76N12O9S	948.5579	NA	PeJP	NA	NA
+PJ095511	STTKKKKE 	C40H76N12O14	948.5604	NA	PeJP	NA	NA
+PJ095512	GVKKKKMM 	C41H80N12O9S2	948.5613	NA	PeJP	NA	NA
+PJ095513	SVLRRRY 	C41H72N16O10	948.5618	NA	PeJP	NA	NA
+PJ095514	VTTILQKF 	C45H76N10O12	948.5644	NA	PeJP	NA	NA
+PJ095515	GVLLKKEY 	C45H76N10O12	948.5645	NA	PeJP	NA	NA
+MJ098478	Dammarane-3,12,20,24,25-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H84O18	948.565765	NA	MeJP	NA	NA
+PJ095516	GKKKFRW 	C46H72N14O8	948.5658	NA	PeJP	NA	NA
+PJ095517	APLLLLFY 	C50H76N8O10	948.5685	NA	PeJP	NA	NA
+PJ095518	VLKMFRR 	C43H76N14O8S	948.5692	NA	PeJP	NA	NA
+PJ095519	STTTKKKR 	C39H76N14O13	948.5717	NA	PeJP	NA	NA
+PJ095520	ALLLLLMY 	C47H80N8O10S	948.5719	NA	PeJP	NA	NA
+PJ095521	KKKKMMR 	C40H80N14O8S2	948.5725	NA	PeJP	NA	NA
+PJ095522	PQKKHRR 	C40H72N18O9	948.573	NA	PeJP	NA	NA
+PJ095523	LLKKERY 	C44H76N12O11	948.5757	NA	PeJP	NA	NA
+PJ095524	SSLKKKKM 	C41H80N12O11S	948.5791	NA	PeJP	NA	NA
+PJ095525	VLLKKYW 	C49H76N10O9	948.5797	NA	PeJP	NA	NA
+MJ098479	Sphinxolide F; 8-Demethoxy, 19-Me ether 	C52H84O15	948.581022	NA	MeJP	NA	NA
+PJ095526	GLLLKKMF 	C46H80N10O9S	948.5831	NA	PeJP	NA	NA
+PJ095527	TLLKRRY 	C43H76N14O10	948.5869	NA	PeJP	NA	NA
+PJ095528	TTLLLLLY 	C47H80N8O12	948.5896	NA	PeJP	NA	NA
+PJ095529	AKKKRRY 	C42H76N16O9	948.5982	NA	PeJP	NA	NA
+PJ095530	ATLLLKKY 	C46H80N10O11	948.6008	NA	PeJP	NA	NA
+PJ095531	VLLLLLEH 	C46H80N10O11	948.6009	NA	PeJP	NA	NA
+PJ095532	ALLLLLFF 	C51H80N8O9	948.6049	NA	PeJP	NA	NA
+PJ095533	VLLHRRR 	C41H76N18O8	948.6094	NA	PeJP	NA	NA
+PJ095534	AALKKKKY 	C45H80N12O10	948.6121	NA	PeJP	NA	NA
+PJ095535	VKKKKRY 	C44H80N14O9	948.6233	NA	PeJP	NA	NA
+PJ095536	GPPVLLLLK 	C47H84N10O10	948.6372	NA	PeJP	NA	NA
+PJ095537	PPLLLLKR 	C46H84N12O9	948.6485	NA	PeJP	NA	NA
+MJ098480	Blaberosides; Blaberoside IIa 	C51H96O15	948.674922	NA	MeJP	NA	NA
+HMDB11132	1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol	C51H96O15	948.674927	NA	HMDB2010	NA	NA
+HMDB10516	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H96O6	948.720703	NA	HMDB2010	NA	NA
+HMDB10538	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H96O6	948.720703	NA	HMDB2010	NA	NA
+HMDB10540	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C63H96O6	948.720703	NA	HMDB2010	NA	NA
+HMDB10555	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C63H96O6	948.720703	NA	HMDB2010	NA	NA
+5391	ranalexin	FLGGLIKIVPAMICAVTKKC	949.0807	MH2+	Inhouse_peptide	NA	peptide
+PJ095538	GCCCCCDDE 	C30H47N9O16S5	949.1745	NA	PeJP	NA	NA
+PJ095539	CCCCCDDW 	C34H47N9O13S5	949.1897	NA	PeJP	NA	NA
+PJ095540	SSCCCCDDD 	C30H47N9O18S4	949.1922	NA	PeJP	NA	NA
+PJ095541	SPCCCCCCE 	C31H51N9O13S6	949.1931	NA	PeJP	NA	NA
+PJ095542	GCCCCCNNM 	C30H51N11O12S6	949.2043	NA	PeJP	NA	NA
+PJ095543	GGGGGCCCCCM 	C30H51N11O12S6	949.2044	NA	PeJP	NA	NA
+C11936	3-Isopropenylpimelyl-CoA	C31H50N7O19P3S	949.2095	NA	KEGG	NA	NA
+PJ095544	GSCCCCDEM 	C31H51N9O15S5	949.2109	NA	PeJP	NA	NA
+PJ095545	GPCCCCCMM 	C32H55N9O10S7	949.2117	NA	PeJP	NA	NA
+PJ095546	SSCCCCCNQ 	C30H51N11O14S5	949.2221	NA	PeJP	NA	NA
+PJ095547	CCCNDDDY 	C34H47N9O17S3	949.2252	NA	PeJP	NA	NA
+PJ095548	GGCCCDDDY 	C34H47N9O17S3	949.2253	NA	PeJP	NA	NA
+PJ095549	SCCCCDMW 	C35H51N9O12S5	949.2261	NA	PeJP	NA	NA
+PJ095550	SSSCCCDDM 	C31H51N9O17S4	949.2286	NA	PeJP	NA	NA
+PJ095551	CCCNDMMM 	C32H55N9O12S6	949.2295	NA	PeJP	NA	NA
+PJ095552	GSSSSCCCCN 	C30H51N11O16S4	949.2398	NA	PeJP	NA	NA
+PJ095553	GGGSSSSCCCC 	C30H51N11O16S4	949.2399	NA	PeJP	NA	NA
+PJ095554	CCCCCEMR 	C31H55N11O11S6	949.2407	NA	PeJP	NA	NA
+PJ095555	GSPCCCCDY 	C35H51N9O14S4	949.2439	NA	PeJP	NA	NA
+PJ095556	ACCCCMMW 	C36H55N9O9S6	949.2447	NA	PeJP	NA	NA
+PJ095557	GSSCCCEMM 	C32H55N9O14S5	949.2472	NA	PeJP	NA	NA
+PJ095558	CCCCNMHH 	C33H51N13O10S5	949.2486	NA	PeJP	NA	NA
+PJ095559	CCNDDDEH 	C33H47N11O18S2	949.2542	NA	PeJP	NA	NA
+PJ095560	GGCCDDDEH 	C33H47N11O18S2	949.2543	NA	PeJP	NA	NA
+PJ095561	CCCCNNQY 	C34H51N11O13S4	949.2551	NA	PeJP	NA	NA
+C11540	Cobalt-precorrin 4	C44H50CoN4O16	949.2554	NA	KEGG	NA	NA
+PJ095562	SSCCCCCNK 	C31H55N11O13S5	949.2585	NA	PeJP	NA	NA
+PJ095563	GCCCCEFW 	C39H51N9O11S4	949.2591	NA	PeJP	NA	NA
+FL7AACGA0011	Cyanidin 3-[6-(6-sinapylglucosyl)-2-xylosylgalactoside]	C43H49O24	949.26137	88902-81-2	knapsack	NA	NA
+FL7AACGL0068	Cyanidin 3-(6''-ferulylsophoroside)-5-glucoside	C43H49O24	949.26137	107500-82-3<BR>29013-15-8	knapsack	NA	NA
+FL7AACGL0086	Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) glucoside] 5-O-glucoside	C43H49O24	949.26137	-	knapsack	NA	NA
+FL7AADGL0020	Peonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside	C43H49O24	949.26137	154850-22-3	knapsack	NA	NA
+FL7AADGL0022	Peonidin 3-(6''-caffeylsophoroside)-5-glucoside	C43H49O24	949.26137	140447-88-7	knapsack	NA	NA
+FL7AAGGA0009	Delphinidin 3-robinobioside-5-(6-(E)-ferulylglucoside)	C43H49O24	949.26137	151677-01-9	knapsack	NA	NA
+FL7AAHGL0018	Petunidin 3-O-[6-O-(4-O-(E)-caffeoyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside	C43H49O24	949.26137	232617-23-1	knapsack	NA	NA
+PJ095564	SCCNDDMY 	C35H51N9O16S3	949.2616	NA	PeJP	NA	NA
+PJ095565	SSCCCMMW 	C36H55N9O11S5	949.2625	NA	PeJP	NA	NA
+PJ095566	SSSSCCDMM 	C32H55N9O16S4	949.265	NA	PeJP	NA	NA
+PJ095567	SCCNMMMM 	C33H59N9O11S6	949.2659	NA	PeJP	NA	NA
+PJ095568	GSTCCCCHH 	C33H51N13O12S4	949.2663	NA	PeJP	NA	NA
+PJ095569	GGGPCCCCNH 	C33H51N13O12S4	949.2664	NA	PeJP	NA	NA
+PJ095570	GCCDDDHW 	C37H47N11O15S2	949.2695	NA	PeJP	NA	NA
+PJ095571	GSSCDDDDH 	C33H47N11O20S	949.272	NA	PeJP	NA	NA
+PJ095572	GSSCCCNNY 	C34H51N11O15S3	949.2729	NA	PeJP	NA	NA
+PJ095573	PCCCCCRY 	C35H55N11O10S5	949.2737	NA	PeJP	NA	NA
+PJ095574	CCCCFWW 	C43H51N9O8S4	949.2744	NA	PeJP	NA	NA
+PJ095575	GSCCCEYW 	C39H51N9O13S3	949.2769	NA	PeJP	NA	NA
+PJ095576	TCCCCMMR 	C32H59N11O10S6	949.2771	NA	PeJP	NA	NA
+PJ095577	GSPDDDDDD 	C34H47N9O23	949.2785	NA	PeJP	NA	NA
+PJ095578	GSSSCCDEY 	C35H51N9O18S2	949.2794	NA	PeJP	NA	NA
+PJ095579	GCCNEMMY 	C36H55N9O13S4	949.2803	NA	PeJP	NA	NA
+MJ098481	Lauroyl-CoA 	C33H58N7O17P3S	949.282273	NA	MeJP	NA	NA
+MetaCyc04341	lauroyl-CoA [Dodecanoyl-CoA (n-C12:0CoA);lauroyl coenzyme A;dodecanoyl-CoA;]	C33H58N7O17P3S1	949.282274	6244-92-4	metacyc	NA	NA
+HMDB03571	Lauroyl-CoA	C33H58N7O17P3S	949.282288	NA	HMDB2010	NA	NA
+HMDB03571	Lauroyl-CoA	C33H58N7O17P3S	949.28229	http://www.hmdb.ca/metabolites/HMDB03571	HMDB	NA	NA
+HMDB03571	Lauroyl-CoA	C33H58N7O17P3S	949.28229	HMDB03571	PFEM_hmdb_metabocards_official	NA	NA
+C01832	Lauroyl-CoA	C33H58N7O17P3S	949.2823	NA	KEGG	NA	NA
+FL7AAHGL0007	Ophionin	C40H53O26	949.2825	75041-46-2	knapsack	NA	NA
+PJ095580	GSSTCCMMM 	C33H59N9O13S5	949.2836	NA	PeJP	NA	NA
+PJ095581	SSSSCCCHH 	C33H51N13O14S3	949.2841	NA	PeJP	NA	NA
+PJ095582	SPCCCDHW 	C38H51N11O12S3	949.2881	NA	PeJP	NA	NA
+PJ095583	NNNDDDDE 	C33H47N11O22	949.2898	NA	PeJP	NA	NA
+PJ095584	SCNDDEMH 	C34H51N11O17S2	949.2906	NA	PeJP	NA	NA
+PJ095585	GCCCDMRY 	C35H55N11O12S4	949.2915	NA	PeJP	NA	NA
+PJ095586	SCCCYWW 	C43H51N9O10S3	949.2921	NA	PeJP	NA	NA
+PJ095587	SSSCCDYW 	C39H51N9O15S2	949.2946	NA	PeJP	NA	NA
+PJ095588	PPCCDDDW 	C39H51N9O15S2	949.2947	NA	PeJP	NA	NA
+PJ095589	CCNMMYW 	C40H55N9O10S4	949.2955	NA	PeJP	NA	NA
+PJ095590	SSSSSCDDY 	C35H51N9O20S	949.2971	NA	PeJP	NA	NA
+PJ095591	PNDDDDEM 	C35H51N9O20S	949.2972	NA	PeJP	NA	NA
+PJ095592	SSCNDMMY 	C36H55N9O15S3	949.298	NA	PeJP	NA	NA
+PJ095593	PCCCCKMY 	C37H59N9O10S5	949.2989	NA	PeJP	NA	NA
+PJ095594	GCCCNQHW 	C37H51N13O11S3	949.2994	NA	PeJP	NA	NA
+PJ095595	DDDEMYY 	C40H51N7O18S	949.3012	NA	PeJP	NA	NA
+PJ095596	SSSSSCMMM 	C33H59N9O15S4	949.3014	NA	PeJP	NA	NA
+PJ095597	SCCDDDHR 	C33H51N13O16S2	949.3019	NA	PeJP	NA	NA
+PJ095598	TCCCKMMM 	C34H63N9O10S6	949.3023	NA	PeJP	NA	NA
+PJ095599	PCCCCEHR 	C34H55N13O11S4	949.3027	NA	PeJP	NA	NA
+PJ095600	GNNDDDDW 	C37H47N11O19	949.305	NA	PeJP	NA	NA
+PJ095601	DEMMMMY 	C38H59N7O13S4	949.3054	NA	PeJP	NA	NA
+PJ095602	GSCDDMHW 	C38H51N11O14S2	949.3059	NA	PeJP	NA	NA
+PJ095603	APCCCMHW 	C39H55N11O9S4	949.3068	NA	PeJP	NA	NA
+PJ095604	PCDDDDDR 	C34H51N11O19S	949.3084	NA	PeJP	NA	NA
+PJ095605	SSCCCERY 	C35H55N11O14S3	949.3092	NA	PeJP	NA	NA
+PJ095606	GNDDMMMH 	C35H55N11O14S3	949.3093	NA	PeJP	NA	NA
+PJ095607	CCNDFYW 	C43H51N9O12S2	949.3099	NA	PeJP	NA	NA
+PJ095608	GCCCMMFR 	C36H59N11O9S5	949.3101	NA	PeJP	NA	NA
+PJ095609	PCCCNHHH 	C36H51N15O10S3	949.3106	NA	PeJP	NA	NA
+PJ095610	GPDDDDMW 	C39H51N9O17S	949.3124	NA	PeJP	NA	NA
+PJ095611	GSTCCMYW 	C40H55N9O12S3	949.3133	NA	PeJP	NA	NA
+PJ095612	GNDEEEEE 	C35H51N9O22	949.3149	NA	PeJP	NA	NA
+PJ095613	GSSSSCEMY 	C36H55N9O17S2	949.3158	NA	PeJP	NA	NA
+PJ095614	GSCQMMMY 	C37H59N9O12S4	949.3166	NA	PeJP	NA	NA
+PJ095615	APPPCCCEM 	C37H59N9O12S4	949.3167	NA	PeJP	NA	NA
+PJ095616	SSCCNNHW 	C37H51N13O13S2	949.3171	NA	PeJP	NA	NA
+PJ095617	SSSSCNNDH 	C33H51N13O18S	949.3196	NA	PeJP	NA	NA
+PJ095618	GGGGGGGGGGDDM 	C33H51N13O18S	949.3197	NA	PeJP	NA	NA
+PJ095619	DDEMMFY 	C41H55N7O15S2	949.3198	NA	PeJP	NA	NA
+PJ095620	GCCDEMHR 	C34H55N13O13S3	949.3205	NA	PeJP	NA	NA
+PJ095621	SCCEHWW 	C42H51N11O11S2	949.3211	NA	PeJP	NA	NA
+PJ095622	SSSCDEHW 	C38H51N11O16S	949.3236	NA	PeJP	NA	NA
+PJ095623	GGGGSPCDDW 	C38H51N11O16S	949.3237	NA	PeJP	NA	NA
+PJ095624	EMMMMMF 	C39H63N7O10S5	949.324	NA	PeJP	NA	NA
+PJ095625	CNEMMHW 	C39H55N11O11S3	949.3245	NA	PeJP	NA	NA
+PJ095626	SSSSSDDEH 	C34H51N11O21	949.3261	NA	PeJP	NA	NA
+PJ095627	GDDDDEER 	C34H51N11O21	949.3262	NA	PeJP	NA	NA
+PJ095628	SSNDEMMH 	C35H55N11O16S2	949.327	NA	PeJP	NA	NA
+PJ095629	SCNDYYW 	C43H51N9O14S	949.3276	NA	PeJP	NA	NA
+PJ095630	PCDDEWW 	C43H51N9O14S	949.3277	NA	PeJP	NA	NA
+PJ095631	GSCCMMRY 	C36H59N11O11S4	949.3279	NA	PeJP	NA	NA
+PJ095632	GCNDMHHH 	C36H51N15O12S2	949.3284	NA	PeJP	NA	NA
+PJ095633	CCNMFFW 	C44H55N9O9S3	949.3285	NA	PeJP	NA	NA
+PJ095634	SSSNDDYY 	C39H51N9O19	949.3301	NA	PeJP	NA	NA
+PJ095635	NDEEEEW 	C39H51N9O19	949.3302	NA	PeJP	NA	NA
+PJ095636	GSCNNNNNN 	C32H51N15O17S	949.3308	NA	PeJP	NA	NA
+PJ095637	GGGGGSCNNNN 	C32H51N15O17S	949.3309	NA	PeJP	NA	NA
+PJ095638	SSSSCMYW 	C40H55N9O14S2	949.331	NA	PeJP	NA	NA
+PJ095639	SCCCNQHR 	C33H55N15O12S3	949.3317	NA	PeJP	NA	NA
+PJ095640	PCCCCKFF 	C41H59N9O9S4	949.3319	NA	PeJP	NA	NA
+PJ095641	SSSSSSDMY 	C36H55N9O19S	949.3335	NA	PeJP	NA	NA
+PJ095642	PDDDYYY 	C44H51N7O17	949.3342	NA	PeJP	NA	NA
+PJ095643	SSSNMMMY 	C37H59N9O14S3	949.3344	NA	PeJP	NA	NA
+PJ095644	GCNNNNEW 	C37H51N13O15S	949.3349	NA	PeJP	NA	NA
+PJ095645	GCCKMMMF 	C38H63N9O9S5	949.3353	NA	PeJP	NA	NA
+PJ095646	CCDMHRW 	C38H55N13O10S3	949.3357	NA	PeJP	NA	NA
+PJ095647	GGGCCCKHW 	C38H55N13O10S3	949.3358	NA	PeJP	NA	NA
+PJ095648	SNNDDDDR 	C33H51N13O20	949.3374	NA	PeJP	NA	NA
+PJ095649	SEEEMYY 	C41H55N7O17S	949.3375	NA	PeJP	NA	NA
+PJ095650	SSCDDMHR 	C34H55N13O15S2	949.3382	NA	PeJP	NA	NA
+PJ095651	GGGGPCCDER 	C34H55N13O15S2	949.3383	NA	PeJP	NA	NA
+PJ095652	PDMMMYY 	C42H59N7O12S3	949.3384	NA	PeJP	NA	NA
+PJ095653	CNDEHFW 	C42H51N11O13S	949.3389	NA	PeJP	NA	NA
+PJ095654	PTCCCMHR 	C35H59N13O10S4	949.3391	NA	PeJP	NA	NA
+PJ095655	GCMMHWW 	C43H55N11O8S3	949.3398	NA	PeJP	NA	NA
+PJ095656	DDDDERW 	C38H51N11O18	949.3414	NA	PeJP	NA	NA
+PJ095657	GSSDMMHW 	C39H55N11O13S2	949.3423	NA	PeJP	NA	NA
+PJ095658	CCQHHHW 	C40H51N15O9S2	949.3436	NA	PeJP	NA	NA
+PJ095659	SPDDDDMR 	C35H55N11O18S	949.3448	NA	PeJP	NA	NA
+PJ095660	GDEEEWW 	C43H51N9O16	949.3454	NA	PeJP	NA	NA
+PJ095661	SSTCCMRY 	C36H59N11O13S3	949.3456	NA	PeJP	NA	NA
+PJ095662	GGGGGSPPCMM 	C36H59N11O13S3	949.3457	NA	PeJP	NA	NA
+PJ095663	SSCNEHHH 	C36H51N15O14S	949.3461	NA	PeJP	NA	NA
+PJ095664	GCQMYYW 	C44H55N9O11S2	949.3463	NA	PeJP	NA	NA
+PJ095665	GSPDEEMW 	C40H55N9O16S	949.3488	NA	PeJP	NA	NA
+PJ095666	GSSSCCNHR 	C33H55N15O14S2	949.3495	NA	PeJP	NA	NA
+PJ095667	NNMMMFY 	C41H59N9O11S3	949.3496	NA	PeJP	NA	NA
+PJ095668	GPPCEMMW 	C41H59N9O11S3	949.3497	NA	PeJP	NA	NA
+PJ095669	CNNNNWW 	C41H51N13O12S	949.3501	NA	PeJP	NA	NA
+PJ095670	GGGGGGGGCWW 	C41H51N13O12S	949.3502	NA	PeJP	NA	NA
+PJ095671	GTQEEEEE 	C36H55N9O21	949.3513	NA	PeJP	NA	NA
+PJ095672	GSSSSTMMY 	C37H59N9O16S2	949.3521	NA	PeJP	NA	NA
+PJ095673	GPQEEEMM 	C37H59N9O16S2	949.3522	NA	PeJP	NA	NA
+PJ095674	SSNNNNDW 	C37H51N13O17	949.3526	NA	PeJP	NA	NA
+PJ095675	GGGGGGGGSSDW 	C37H51N13O17	949.3527	NA	PeJP	NA	NA
+PJ095676	PDDMFYY 	C45H55N7O14S	949.3528	NA	PeJP	NA	NA
+PJ095677	GSCKMMMY 	C38H63N9O11S4	949.353	NA	PeJP	NA	NA
+PJ095678	GPCCNDRW 	C38H55N13O12S2	949.3535	NA	PeJP	NA	NA
+PJ095679	GCDHFWW 	C46H51N11O10S	949.3541	NA	PeJP	NA	NA
+PJ095680	GNNDDEMR 	C34H55N13O17S	949.356	NA	PeJP	NA	NA
+PJ095681	VDEMMYY 	C42H59N7O14S2	949.3562	NA	PeJP	NA	NA
+PJ095682	SNNDEWW 	C42H51N11O15	949.3566	NA	PeJP	NA	NA
+PJ095683	GGSNDEWW 	C42H51N11O15	949.3567	NA	PeJP	NA	NA
+PJ095684	GSCEMMHR 	C35H59N13O12S3	949.3569	NA	PeJP	NA	NA
+PJ095685	PMMMMFY 	C43H63N7O9S4	949.357	NA	PeJP	NA	NA
+PJ095686	STCMHWW 	C43H55N11O10S2	949.3575	NA	PeJP	NA	NA
+PJ095687	SSSSEMHW 	C39H55N11O15S	949.36	NA	PeJP	NA	NA
+PJ095688	LMMMMMY 	C40H67N7O9S5	949.3604	NA	PeJP	NA	NA
+PJ095689	DEEWWW 	C47H51N9O13	949.3607	NA	PeJP	NA	NA
+PJ095690	SQMMMHW 	C40H59N11O10S3	949.3609	NA	PeJP	NA	NA
+PJ095691	GSSCHHHW 	C40H51N15O11S	949.3614	NA	PeJP	NA	NA
+PJ095692	CCHFFFF 	C48H55N9O8S2	949.3615	NA	PeJP	NA	NA
+PJ095693	GSDEEEER 	C35H55N11O20	949.3625	NA	PeJP	NA	NA
+MJ098482	2,5-Dibromo-3,6-bis(2,3,5-tribromo-4-hydroxyphenoxy)-1,4-benzenediol 	C18H6Br8O6	949.363139	NA	MeJP	NA	NA
+PJ095694	GPDDEMMR 	C36H59N11O15S2	949.3634	NA	PeJP	NA	NA
+PJ095695	GSSSSDHHH 	C36H51N15O16	949.3639	NA	PeJP	NA	NA
+PJ095696	SPDEMWW 	C44H55N9O13S	949.364	NA	PeJP	NA	NA
+PJ095697	GPPCDEFW 	C44H55N9O13S	949.3641	NA	PeJP	NA	NA
+PJ095698	AAQMMMMH 	C37H63N11O10S4	949.3643	NA	PeJP	NA	NA
+PJ095699	GCCNNHFR 	C37H55N15O11S2	949.3647	NA	PeJP	NA	NA
+PJ095700	GGGGGCCHFR 	C37H55N15O11S2	949.3648	NA	PeJP	NA	NA
+PJ095701	PPCMMWW 	C45H59N9O8S3	949.3649	NA	PeJP	NA	NA
+PJ095702	TQEEEEW 	C40H55N9O18	949.3665	NA	PeJP	NA	NA
+PJ095703	GATEEEEW 	C40H55N9O18	949.3666	NA	PeJP	NA	NA
+PJ095704	GCNDDDRR 	C33H55N15O16S	949.3672	NA	PeJP	NA	NA
+PJ095705	GGGGGGSCNER 	C33H55N15O16S	949.3673	NA	PeJP	NA	NA
+PJ095706	PQEEMMW 	C41H59N9O13S2	949.3674	NA	PeJP	NA	NA
+PJ095707	GSPDDHHW 	C41H51N13O14	949.3679	NA	PeJP	NA	NA
+PJ095708	SCCCNKHR 	C34H59N15O11S3	949.3681	NA	PeJP	NA	NA
+PJ095709	APPCCHHW 	C42H55N13O9S2	949.3688	NA	PeJP	NA	NA
+PJ095710	SSSSSTTMY 	C37H59N9O18S	949.3699	NA	PeJP	NA	NA
+PJ095711	SPEEYYY 	C45H55N7O16	949.3705	NA	PeJP	NA	NA
+PJ095712	PTDEYYY 	C45H55N7O16	949.3706	NA	PeJP	NA	NA
+PJ095713	SSTCKMMY 	C38H63N9O13S3	949.3708	NA	PeJP	NA	NA
+PJ095714	GSNNNQMW 	C38H55N13O14S	949.3712	NA	PeJP	NA	NA
+PJ095715	NNDDMRW 	C38H55N13O14S	949.3713	NA	PeJP	NA	NA
+PJ095716	PDMMFFY 	C46H59N7O11S2	949.3714	NA	PeJP	NA	NA
+PJ095717	GSNDWWW 	C46H51N11O12	949.3719	NA	PeJP	NA	NA
+PJ095718	SCMMHRW 	C39H59N13O9S3	949.3721	NA	PeJP	NA	NA
+PJ095719	DMHHHHH 	C39H51N17O10S	949.3726	NA	PeJP	NA	NA
+PJ095720	GSSSSSSSQH 	C34H55N13O19	949.3737	NA	PeJP	NA	NA
+PJ095721	SSNNDEER 	C34H55N13O19	949.3738	NA	PeJP	NA	NA
+PJ095722	SSSDMMHR 	C35H59N13O14S2	949.3746	NA	PeJP	NA	NA
+PJ095723	GGGGGGGAAQMM 	C35H59N13O14S2	949.3747	NA	PeJP	NA	NA
+PJ095724	VEMMMFY 	C43H63N7O11S3	949.3748	NA	PeJP	NA	NA
+PJ095725	SNNNNNHH 	C35H51N17O15	949.3751	NA	PeJP	NA	NA
+PJ095726	GNQEMWW 	C43H55N11O12S	949.3753	NA	PeJP	NA	NA
+PJ095727	NMMMMHR 	C36H63N13O9S4	949.3755	NA	PeJP	NA	NA
+PJ095728	GTCCHHHR 	C36H55N17O10S2	949.376	NA	PeJP	NA	NA
+PJ095729	SDEEERW 	C39H55N11O17	949.3778	NA	PeJP	NA	NA
+PJ095730	PCEEMRW 	C40H59N11O12S2	949.3786	NA	PeJP	NA	NA
+PJ095731	PDDMMRW 	C40H59N11O12S2	949.3787	NA	PeJP	NA	NA
+PJ095732	NNNEHHW 	C40H51N15O13	949.3791	NA	PeJP	NA	NA
+PJ095733	PPCDFWW 	C48H55N9O10S	949.3793	NA	PeJP	NA	NA
+PJ095734	CCKHHHW 	C41H55N15O8S2	949.38	NA	PeJP	NA	NA
+PJ095735	GSSTTTEMH 	C36H59N11O17S	949.3811	NA	PeJP	NA	NA
+MJ098483	Albomycin; Albomycin ? 	C36H59N11O17S	949.38111	NA	MeJP	NA	NA
+PJ095736	QEEEEMR 	C36H59N11O17S	949.3812	NA	PeJP	NA	NA
+PJ095737	ATEEEWW 	C44H55N9O15	949.3818	NA	PeJP	NA	NA
+PJ095738	SPPCEMMR 	C37H63N11O12S3	949.382	NA	PeJP	NA	NA
+PJ095739	GSCNNNRW 	C37H55N15O13S	949.3825	NA	PeJP	NA	NA
+PJ095740	APEMMWW 	C45H59N9O10S2	949.3827	NA	PeJP	NA	NA
+PJ095741	GSSSNNNDR 	C33H55N15O18	949.385	NA	PeJP	NA	NA
+PJ095742	VQEEEMW 	C41H59N9O15S	949.3852	NA	PeJP	NA	NA
+PJ095743	PDDFFFY 	C49H55N7O13	949.3858	NA	PeJP	NA	NA
+PJ095744	SPCCNDRR 	C34H59N15O13S2	949.3859	NA	PeJP	NA	NA
+PJ095745	GPPTMMMW 	C42H63N9O10S3	949.386	NA	PeJP	NA	NA
+PJ095746	GAPPPCMMF 	C42H63N9O10S3	949.3861	NA	PeJP	NA	NA
+PJ095747	GCNERWW 	C42H55N13O11S	949.3865	NA	PeJP	NA	NA
+PJ095748	GTKEEEEE 	C37H59N9O20	949.3877	NA	PeJP	NA	NA
+PJ095749	SPVQEEMM 	C38H63N9O15S2	949.3885	NA	PeJP	NA	NA
+PJ095750	GPKEEEMM 	C38H63N9O15S2	949.3886	NA	PeJP	NA	NA
+PJ095751	GSSNDERW 	C38H55N13O16	949.389	NA	PeJP	NA	NA
+PJ095752	GGGGGGGGGAAEF 	C38H55N13O16	949.3891	NA	PeJP	NA	NA
+PJ095753	PVDMYYY 	C46H59N7O13S	949.3892	NA	PeJP	NA	NA
+PJ095754	PPVNMMMM 	C39H67N9O10S4	949.3894	NA	PeJP	NA	NA
+PJ095755	GSPCNMRW 	C39H59N13O11S2	949.3899	NA	PeJP	NA	NA
+PJ095756	PMMMFFF 	C47H63N7O8S3	949.3901	NA	PeJP	NA	NA
+PJ095757	GPNDHHHH 	C39H51N17O12	949.3904	NA	PeJP	NA	NA
+PJ095758	NQMWWW 	C47H55N11O9S	949.3905	NA	PeJP	NA	NA
+PJ095759	DDEEMRR 	C35H59N13O16S	949.3924	NA	PeJP	NA	NA
+PJ095760	TLEMMYY 	C43H63N7O13S2	949.3926	NA	PeJP	NA	NA
+PJ095761	SSQQEWW 	C43H55N11O14	949.393	NA	PeJP	NA	NA
+PJ095762	GGGGGAPEYW 	C43H55N11O14	949.3931	NA	PeJP	NA	NA
+PJ095763	GSTMMMHR 	C36H63N13O11S3	949.3933	NA	PeJP	NA	NA
+PJ095764	LMMMMFF 	C44H67N7O8S4	949.3934	NA	PeJP	NA	NA
+PJ095765	SSSCHHHR 	C36H55N17O12S	949.3937	NA	PeJP	NA	NA
+PJ095766	PCCQKWW 	C44H59N11O9S2	949.3939	NA	PeJP	NA	NA
+PJ095767	GNNHHWW 	C44H51N15O10	949.3944	NA	PeJP	NA	NA
+PJ095768	AEEEMRW 	C40H59N11O14S	949.3964	NA	PeJP	NA	NA
+PJ095769	QQYYYW 	C48H55N9O12	949.397	NA	PeJP	NA	NA
+PJ095770	SPPDYWW 	C48H55N9O12	949.3971	NA	PeJP	NA	NA
+PJ095771	SKMMMHW 	C41H63N11O9S3	949.3973	NA	PeJP	NA	NA
+PJ095772	NQMHHHF 	C41H55N15O10S	949.3977	NA	PeJP	NA	NA
+PJ095773	PCDHHRW 	C41H55N15O10S	949.3978	NA	PeJP	NA	NA
+PJ095774	GTTEEEER 	C36H59N11O19	949.3989	NA	PeJP	NA	NA
+PJ095775	GPTEEMMR 	C37H63N11O14S2	949.3998	NA	PeJP	NA	NA
+PJ095776	GNNNNDFR 	C37H55N15O15	949.4002	NA	PeJP	NA	NA
+PJ095777	GGGNNNDFR 	C37H55N15O15	949.4003	NA	PeJP	NA	NA
+PJ095778	GLEEMWW 	C45H59N9O12S	949.4004	NA	PeJP	NA	NA
+PJ095779	GPPMMMMR 	C38H67N11O9S4	949.4007	NA	PeJP	NA	NA
+PJ095780	CCEHFRR 	C38H59N15O10S2	949.4011	NA	PeJP	NA	NA
+PJ095781	CNRWWW 	C46H55N13O8S	949.4018	NA	PeJP	NA	NA
+PJ095782	TKEEEEW 	C41H59N9O17	949.4029	NA	PeJP	NA	NA
+PJ095783	GSNDDMRR 	C34H59N15O15S	949.4036	NA	PeJP	NA	NA
+PJ095784	PKEEMMW 	C42H63N9O12S2	949.4038	NA	PeJP	NA	NA
+PJ095785	SSNDRWW 	C42H55N13O13	949.4043	NA	PeJP	NA	NA
+PJ095786	GPCCQMRR 	C35H63N15O10S3	949.4045	NA	PeJP	NA	NA
+PJ095787	ACMHFRW 	C43H59N13O8S2	949.4051	NA	PeJP	NA	NA
+PJ095788	GVKEEEEM 	C38H63N9O17S	949.4063	NA	PeJP	NA	NA
+PJ095789	ALEEYYY 	C46H59N7O15	949.4069	NA	PeJP	NA	NA
+PJ095790	SPPKEMMM 	C39H67N9O12S3	949.4072	NA	PeJP	NA	NA
+PJ095791	SNQEMRW 	C39H59N13O13S	949.4076	NA	PeJP	NA	NA
+PJ095792	GGGGTEMRW 	C39H59N13O13S	949.4077	NA	PeJP	NA	NA
+PJ095793	PVMMFYY 	C47H63N7O10S2	949.4078	NA	PeJP	NA	NA
+PJ095794	GSTQWWW 	C47H55N11O11	949.4083	NA	PeJP	NA	NA
+PJ095795	CNHHHFR 	C40H55N17O9S	949.409	NA	PeJP	NA	NA
+PJ095796	SSSQQEER 	C35H59N13O18	949.4101	NA	PeJP	NA	NA
+PJ095797	GGGGSTTEER 	C35H59N13O18	949.4102	NA	PeJP	NA	NA
+PJ095798	SSTTMMHR 	C36H63N13O13S2	949.411	NA	PeJP	NA	NA
+PJ095799	VLMMMYY 	C44H67N7O10S3	949.4112	NA	PeJP	NA	NA
+PJ095800	DDDHHRR 	C36H55N17O14	949.4115	NA	PeJP	NA	NA
+PJ095801	ATQQMWW 	C44H59N11O11S	949.4116	NA	PeJP	NA	NA
+PJ095802	GNKEMWW 	C44H59N11O11S	949.4117	NA	PeJP	NA	NA
+PJ095803	PEFWWW 	C52H55N9O9	949.4123	NA	PeJP	NA	NA
+PJ095804	SSSLNQEW 	C40H59N11O16	949.4141	NA	PeJP	NA	NA
+PJ095805	TTEEERW 	C40H59N11O16	949.4142	NA	PeJP	NA	NA
+PJ095806	SSCNNNRR 	C33H59N17O14S	949.4148	NA	PeJP	NA	NA
+PJ095807	GGSSCNNRR 	C33H59N17O14S	949.4149	NA	PeJP	NA	NA
+PJ095808	PTEMMRW 	C41H63N11O11S2	949.415	NA	PeJP	NA	NA
+PJ095809	GGGGAALMMW 	C41H63N11O11S2	949.4151	NA	PeJP	NA	NA
+PJ095810	GEEHHRW 	C41H55N15O12	949.4155	NA	PeJP	NA	NA
+PJ095811	LEMWWW 	C49H59N9O9S	949.4157	NA	PeJP	NA	NA
+PJ095812	KEEEEMR 	C37H63N11O16S	949.4175	NA	PeJP	NA	NA
+PJ095813	GGGDKKEEM 	C37H63N11O16S	949.4176	NA	PeJP	NA	NA
+PJ095814	STLEEWW 	C45H59N9O14	949.4182	NA	PeJP	NA	NA
+PJ095815	GPVEMMMR 	C38H67N11O11S3	949.4184	NA	PeJP	NA	NA
+PJ095816	SCNERRW 	C38H59N15O12S	949.4189	NA	PeJP	NA	NA
+PJ095817	SPLMMWW 	C46H63N9O9S2	949.4191	NA	PeJP	NA	NA
+PJ095818	GVEHHWW 	C46H55N13O10	949.4195	NA	PeJP	NA	NA
+PJ095819	SSSNDERR 	C34H59N15O17	949.4214	NA	PeJP	NA	NA
+PJ095820	GSTTKMYY 	C42H63N9O14S	949.4215	NA	PeJP	NA	NA
+PJ095821	VKEEEMW 	C42H63N9O14S	949.4216	NA	PeJP	NA	NA
+PJ095822	PPTFYYY 	C50H59N7O12	949.4222	NA	PeJP	NA	NA
+PJ095823	GGNEMMRR 	C35H63N15O12S2	949.4223	NA	PeJP	NA	NA
+PJ095824	AAPLMMMW 	C43H67N9O9S3	949.4224	NA	PeJP	NA	NA
+PJ095825	GSQMRWW 	C43H59N13O10S	949.4229	NA	PeJP	NA	NA
+PJ095826	QHFFWW 	C51H55N11O8	949.4235	NA	PeJP	NA	NA
+PJ095827	GAHFFWW 	C51H55N11O8	949.4236	NA	PeJP	NA	NA
+PJ095828	SSSPTTLEE 	C38H63N9O19	949.424	NA	PeJP	NA	NA
+PJ095829	SSLKEEEE 	C38H63N9O19	949.4241	NA	PeJP	NA	NA
+PJ095830	SPVKEEMM 	C39H67N9O14S2	949.4249	NA	PeJP	NA	NA
+PJ095831	GSSTQERW 	C39H59N13O15	949.4254	NA	PeJP	NA	NA
+PJ095832	PTLMYYY 	C47H63N7O12S	949.4256	NA	PeJP	NA	NA
+PJ095833	PPCLKMMM 	C40H71N9O9S4	949.4258	NA	PeJP	NA	NA
+PJ095834	AQQMMRW 	C40H63N13O10S2	949.4263	NA	PeJP	NA	NA
+PJ095835	SNNHHRW 	C40H55N17O11	949.4267	NA	PeJP	NA	NA
+PJ095836	GGGGSHHRW 	C40H55N17O11	949.4268	NA	PeJP	NA	NA
+PJ095837	NKMWWW 	C48H59N11O8S	949.4269	NA	PeJP	NA	NA
+PJ095838	TEEEMRR 	C36H63N13O15S	949.4288	NA	PeJP	NA	NA
+PJ095839	SSQKEWW 	C44H59N11O13	949.4294	NA	PeJP	NA	NA
+PJ095840	PEMMMRR 	C37H67N13O10S3	949.4296	NA	PeJP	NA	NA
+PJ095841	GGAPCKMMR 	C37H67N13O10S3	949.4297	NA	PeJP	NA	NA
+PJ095842	NQQMHHR 	C37H59N17O11S	949.4301	NA	PeJP	NA	NA
+PJ095843	PCCKKWW 	C45H63N11O8S2	949.4303	NA	PeJP	NA	NA
+PJ095844	EHHRWW 	C45H55N15O9	949.4308	NA	PeJP	NA	NA
+PJ095845	SLEEMRW 	C41H63N11O13S	949.4328	NA	PeJP	NA	NA
+PJ095846	GPLEYWW 	C49H59N9O11	949.4334	NA	PeJP	NA	NA
+PJ095847	GAPPEFFW 	C49H59N9O11	949.4335	NA	PeJP	NA	NA
+PJ095848	PVMMMRW 	C42H67N11O8S3	949.4337	NA	PeJP	NA	NA
+PJ095849	GSCRRWW 	C42H59N15O9S	949.4341	NA	PeJP	NA	NA
+PJ095850	VHHWWW 	C50H55N13O7	949.4348	NA	PeJP	NA	NA
+PJ095851	SSTLEEER 	C37H63N11O18	949.4353	NA	PeJP	NA	NA
+PJ095852	AALEEMMR 	C38H67N11O13S2	949.4362	NA	PeJP	NA	NA
+PJ095853	GSSSDRRW 	C38H59N15O14	949.4366	NA	PeJP	NA	NA
+PJ095854	GGGGGGAAQRY 	C38H59N15O14	949.4367	NA	PeJP	NA	NA
+PJ095855	SVLEMWW 	C46H63N9O11S	949.4368	NA	PeJP	NA	NA
+PJ095856	GNMMRRW 	C39H63N15O9S2	949.4375	NA	PeJP	NA	NA
+PJ095857	SSSLLEEW 	C42H63N9O16	949.4393	NA	PeJP	NA	NA
+PJ095858	GSSQEMRR 	C35H63N15O14S	949.44	NA	PeJP	NA	NA
+PJ095859	LLQEMMW 	C43H67N9O11S2	949.4402	NA	PeJP	NA	NA
+PJ095860	SSTQRWW 	C43H59N13O12	949.4406	NA	PeJP	NA	NA
+PJ095861	GGSTTRWW 	C43H59N13O12	949.4407	NA	PeJP	NA	NA
+PJ095862	PVMFFFY 	C51H63N7O9S	949.4408	NA	PeJP	NA	NA
+PJ095863	GPCCKMRR 	C36H67N15O9S3	949.4409	NA	PeJP	NA	NA
+PJ095864	CNQHHRR 	C36H59N19O10S	949.4413	NA	PeJP	NA	NA
+PJ095865	GGCQHHRR 	C36H59N19O10S	949.4414	NA	PeJP	NA	NA
+PJ095866	VHHHHHF 	C44H55N17O8	949.442	NA	PeJP	NA	NA
+PJ095867	ATLKEEEM 	C39H67N9O16S	949.4427	NA	PeJP	NA	NA
+PJ095868	SLLEYYY 	C47H63N7O14	949.4433	NA	PeJP	NA	NA
+PJ095869	APLKEMMM 	C40H71N9O11S3	949.4436	NA	PeJP	NA	NA
+PJ095870	SNKEMRW 	C40H63N13O12S	949.444	NA	PeJP	NA	NA
+PJ095871	GGGGGAPPLMH 	C40H63N13O12S	949.4441	NA	PeJP	NA	NA
+PJ095872	VLMMFFY 	C48H67N7O9S2	949.4442	NA	PeJP	NA	NA
+PJ095873	GSTKWWW 	C48H59N11O10	949.4447	NA	PeJP	NA	NA
+PJ095874	SSSQKEER 	C36H63N13O17	949.4465	NA	PeJP	NA	NA
+PJ095875	VEEMMRR 	C37H67N13O12S2	949.4474	NA	PeJP	NA	NA
+PJ095876	NNNNRRY 	C37H59N17O13	949.4479	NA	PeJP	NA	NA
+PJ095877	ATQKMWW 	C45H63N11O10S	949.448	NA	PeJP	NA	NA
+PJ095878	GDKKMWW 	C45H63N11O10S	949.4481	NA	PeJP	NA	NA
+PJ095879	PLYWWW 	C53H59N9O8	949.4487	NA	PeJP	NA	NA
+PJ095880	GTTTQKEW 	C41H63N11O15	949.4505	NA	PeJP	NA	NA
+PJ095881	GSSKKEEW 	C41H63N11O15	949.4506	NA	PeJP	NA	NA
+PJ095882	GSSCERRR 	C34H63N17O13S	949.4512	NA	PeJP	NA	NA
+PJ095883	VVEMMRW 	C42H67N11O10S2	949.4514	NA	PeJP	NA	NA
+PJ095884	GNDFRRW 	C42H59N15O11	949.4519	NA	PeJP	NA	NA
+PJ095885	APLMFWW 	C50H63N9O8S	949.4521	NA	PeJP	NA	NA
+PJ095886	ATTLEEMR 	C38H67N11O15S	949.4539	NA	PeJP	NA	NA
+PJ095887	PVKEEYW 	C46H63N9O13	949.4546	NA	PeJP	NA	NA
+PJ095888	APTLMMMR 	C39H71N11O10S3	949.4548	NA	PeJP	NA	NA
+PJ095889	STMHRRY 	C39H63N15O11S	949.4552	NA	PeJP	NA	NA
+PJ095890	SSQMRRW 	C39H63N15O11S	949.4553	NA	PeJP	NA	NA
+PJ095891	ALLMMWW 	C47H67N9O8S2	949.4554	NA	PeJP	NA	NA
+PJ095892	QQFRWW 	C47H59N13O9	949.4559	NA	PeJP	NA	NA
+PJ095893	SSSTQERR 	C35H63N15O16	949.4578	NA	PeJP	NA	NA
+PJ095894	GTTLLEMW 	C43H67N9O13S	949.4579	NA	PeJP	NA	NA
+PJ095895	GGAPLLEMY 	C43H67N9O13S	949.458	NA	PeJP	NA	NA
+PJ095896	PVVFYYY 	C51H63N7O11	949.4586	NA	PeJP	NA	NA
+PJ095897	GGGGGCKKMR 	C36H67N15O11S2	949.4587	NA	PeJP	NA	NA
+PJ095898	GSSNHHRR 	C36H59N19O12	949.4591	NA	PeJP	NA	NA
+PJ095899	GSKMRWW 	C44H63N13O9S	949.4593	NA	PeJP	NA	NA
+PJ095900	KHFFWW 	C52H59N11O7	949.4599	NA	PeJP	NA	NA
+PJ095901	TTTLKEEE 	C39H67N9O18	949.4604	NA	PeJP	NA	NA
+PJ095902	GLLKEEMM 	C40H71N9O13S2	949.4613	NA	PeJP	NA	NA
+PJ095903	GSSTKERW 	C40H63N13O14	949.4618	NA	PeJP	NA	NA
+PJ095904	VVLMYYY 	C48H67N7O11S	949.4619	NA	PeJP	NA	NA
+PJ095905	CLLLYYY 	C48H67N7O11S	949.462	NA	PeJP	NA	NA
+PJ095906	AQKMMRW 	C41H67N13O9S2	949.4626	NA	PeJP	NA	NA
+PJ095907	GAAKMMRW 	C41H67N13O9S2	949.4627	NA	PeJP	NA	NA
+PJ095908	GPTKHHHH 	C41H59N17O10	949.4631	NA	PeJP	NA	NA
+PJ095909	ASTQKEMR 	C37H67N13O14S	949.4651	NA	PeJP	NA	NA
+PJ095910	GSDKKEMR 	C37H67N13O14S	949.4652	NA	PeJP	NA	NA
+PJ095911	SSKKEWW 	C45H63N11O12	949.4658	NA	PeJP	NA	NA
+PJ095912	GPCKKMMR 	C38H71N13O9S3	949.466	NA	PeJP	NA	NA
+PJ095913	SSCRRRW 	C38H63N17O10S	949.4665	NA	PeJP	NA	NA
+PJ095914	APHHFRW 	C46H59N15O8	949.4671	NA	PeJP	NA	NA
+PJ095915	SSSSDRRR 	C34H63N17O15	949.469	NA	PeJP	NA	NA
+PJ095916	TQKKEMW 	C42H67N11O12S	949.4692	NA	PeJP	NA	NA
+PJ095917	SPVLYWW 	C50H63N9O10	949.4698	NA	PeJP	NA	NA
+PJ095918	SNMMRRR 	C35H67N17O10S2	949.4699	NA	PeJP	NA	NA
+PJ095919	ALMHHRW 	C43H63N15O8S	949.4705	NA	PeJP	NA	NA
+PJ095920	TTTTLEER 	C38H67N11O17	949.4717	NA	PeJP	NA	NA
+PJ095921	PTTTLMMR 	C39H71N11O12S2	949.4725	NA	PeJP	NA	NA
+PJ095922	GTLLEMMR 	C39H71N11O12S2	949.4726	NA	PeJP	NA	NA
+PJ095923	GSSTTRRW 	C39H63N15O13	949.473	NA	PeJP	NA	NA
+PJ095924	GGGGGGAAPPPR 	C39H63N15O13	949.4731	NA	PeJP	NA	NA
+MJ098484	Cycloleonuripeptide A 	C47H67N9O10S	949.47316	NA	MeJP	NA	NA
+PJ095925	TTLLMWW 	C47H67N9O10S	949.4732	NA	PeJP	NA	NA
+PJ095926	ACKMRRW 	C40H67N15O8S2	949.4739	NA	PeJP	NA	NA
+PJ095927	VQHHHHR 	C40H59N19O9	949.4744	NA	PeJP	NA	NA
+PJ095928	STTTLLEW 	C43H67N9O15	949.4757	NA	PeJP	NA	NA
+PJ095929	GSSKEMRR 	C36H67N15O13S	949.4764	NA	PeJP	NA	NA
+PJ095930	LLKEMMW 	C44H71N9O10S2	949.4766	NA	PeJP	NA	NA
+PJ095931	SSTKRWW 	C44H63N13O11	949.477	NA	PeJP	NA	NA
+PJ095932	GGGAALRYW 	C44H63N13O11	949.4771	NA	PeJP	NA	NA
+PJ095933	VLMFFFF 	C52H67N7O8S	949.4772	NA	PeJP	NA	NA
+PJ095934	CNKHHRR 	C37H63N19O9S	949.4777	NA	PeJP	NA	NA
+PJ095935	STLLKEEM 	C40H71N9O15S	949.4791	NA	PeJP	NA	NA
+PJ095936	SPLLKMMM 	C41H75N9O10S3	949.4799	NA	PeJP	NA	NA
+PJ095937	GAALLLMMM 	C41H75N9O10S3	949.48	NA	PeJP	NA	NA
+PJ095938	SDKKMRW 	C41H67N13O11S	949.4804	NA	PeJP	NA	NA
+PJ095939	GVQKFWW 	C49H63N11O9	949.4811	NA	PeJP	NA	NA
+PJ095940	SSSKKEER 	C37H67N13O16	949.4829	NA	PeJP	NA	NA
+PJ095941	QKKEMMR 	C38H71N13O11S2	949.4838	NA	PeJP	NA	NA
+PJ095942	PQQEHRR 	C38H63N17O12	949.4842	NA	PeJP	NA	NA
+PJ095943	GNERRRY 	C38H63N17O12	949.4843	NA	PeJP	NA	NA
+PJ095944	ATKKMWW 	C46H67N11O9S	949.4844	NA	PeJP	NA	NA
+PJ095945	LLFWWW 	C54H63N9O7	949.4851	NA	PeJP	NA	NA
+PJ095946	AHHHHRR 	C39H59N21O8	949.4856	NA	PeJP	NA	NA
+PJ095947	GTTTKKEW 	C42H67N11O14	949.4869	NA	PeJP	NA	NA
+PJ095948	GGGGGGSLLLY 	C42H67N11O14	949.487	NA	PeJP	NA	NA
+PJ095949	GSSTMRRR 	C35H67N17O12S	949.4876	NA	PeJP	NA	NA
+PJ095950	TLLMMRW 	C43H71N11O9S2	949.4878	NA	PeJP	NA	NA
+PJ095951	AAQRRYW 	C43H63N15O10	949.4883	NA	PeJP	NA	NA
+PJ095952	STTLLEMR 	C39H71N11O14S	949.4903	NA	PeJP	NA	NA
+PJ095953	VLLQEYW 	C47H67N9O12	949.4909	NA	PeJP	NA	NA
+PJ095954	LLLNEYW 	C47H67N9O12	949.491	NA	PeJP	NA	NA
+PJ095955	GVLLMMMR 	C40H75N11O9S3	949.4912	NA	PeJP	NA	NA
+PJ095956	SSKMRRW 	C40H67N15O10S	949.4916	NA	PeJP	NA	NA
+PJ095957	GAPCKRRY 	C40H67N15O10S	949.4917	NA	PeJP	NA	NA
+PJ095958	QKFRWW 	C48H63N13O8	949.4923	NA	PeJP	NA	NA
+PJ095959	SSSTKERR 	C36H67N15O15	949.4941	NA	PeJP	NA	NA
+PJ095960	GGGSSSSKKR 	C36H67N15O15	949.4942	NA	PeJP	NA	NA
+PJ095961	SSTLLLMW 	C44H71N9O12S	949.4943	NA	PeJP	NA	NA
+PJ095962	VVLFFYY 	C52H67N7O10	949.495	NA	PeJP	NA	NA
+PJ095963	PNDHRRR 	C37H63N19O11	949.4955	NA	PeJP	NA	NA
+PJ095964	VLKMHHW 	C45H67N13O8S	949.4957	NA	PeJP	NA	NA
+PJ095965	SSSTTLLLE 	C40H71N9O17	949.4968	NA	PeJP	NA	NA
+PJ095966	SVLLKEMM 	C41H75N9O12S2	949.4977	NA	PeJP	NA	NA
+PJ095967	SSSSLKRW 	C41H67N13O13	949.4982	NA	PeJP	NA	NA
+PJ095968	AKKMMRW 	C42H71N13O8S2	949.499	NA	PeJP	NA	NA
+PJ095969	NRRRYW 	C42H63N17O9	949.4995	NA	PeJP	NA	NA
+PJ095970	GTTKKEMR 	C38H71N13O13S	949.5015	NA	PeJP	NA	NA
+PJ095971	GGGGSTKKKM 	C38H71N13O13S	949.5016	NA	PeJP	NA	NA
+PJ095972	TTTKKWW 	C46H67N11O11	949.5022	NA	PeJP	NA	NA
+PJ095973	LLMMMRR 	C39H75N13O8S3	949.5024	NA	PeJP	NA	NA
+PJ095974	GQMFRRR 	C39H67N17O9S	949.5029	NA	PeJP	NA	NA
+PJ095975	SSSTTRRR 	C35H67N17O14	949.5054	NA	PeJP	NA	NA
+PJ095976	TKKKEMW 	C43H71N11O11S	949.5056	NA	PeJP	NA	NA
+PJ095977	GLLLYWW 	C51H67N9O9	949.5062	NA	PeJP	NA	NA
+PJ095978	TCKMRRR 	C36H71N17O9S2	949.5063	NA	PeJP	NA	NA
+PJ095979	STTKKKEE 	C39H71N11O16	949.5081	NA	PeJP	NA	NA
+PJ095980	SSLLLMMR 	C40H75N11O11S2	949.5089	NA	PeJP	NA	NA
+PJ095981	AQKERRY 	C40H67N15O12	949.5094	NA	PeJP	NA	NA
+PJ095982	PLLKMYW 	C48H71N9O9S	949.5096	NA	PeJP	NA	NA
+PJ095983	VKHHHHR 	C41H63N19O8	949.5108	NA	PeJP	NA	NA
+PJ095984	GVLLKEEY 	C44H71N9O14	949.5121	NA	PeJP	NA	NA
+PJ095985	GTTTKMRR 	C37H71N15O12S	949.5128	NA	PeJP	NA	NA
+PJ095986	APLLKMMF 	C45H75N9O9S2	949.513	NA	PeJP	NA	NA
+PJ095987	GLQKRYW 	C45H67N13O10	949.5134	NA	PeJP	NA	NA
+PJ095988	GCFRRRR 	C38H67N19O8S	949.5141	NA	PeJP	NA	NA
+PJ095989	ASTTTLLLM 	C41H75N9O14S	949.5154	NA	PeJP	NA	NA
+PJ095990	SSSSLLLLM 	C41H75N9O14S	949.5155	NA	PeJP	NA	NA
+PJ095991	ALLLKMMM 	C42H79N9O9S3	949.5163	NA	PeJP	NA	NA
+PJ095992	TTKKMRW 	C42H71N13O10S	949.5168	NA	PeJP	NA	NA
+PJ095993	GVKKFWW 	C50H67N11O8	949.5175	NA	PeJP	NA	NA
+PJ095994	STTTKKER 	C38H71N13O15	949.5193	NA	PeJP	NA	NA
+PJ095995	KKKEMMR 	C39H75N13O10S2	949.5202	NA	PeJP	NA	NA
+PJ095996	GDKRRRY 	C39H67N17O11	949.5206	NA	PeJP	NA	NA
+PJ095997	GPPPDRRR 	C39H67N17O11	949.5207	NA	PeJP	NA	NA
+PJ095998	VVLMFRW 	C47H71N11O8S	949.5208	NA	PeJP	NA	NA
+8301	ACE inhibitor	KRQKYDI	949.5209	Bile-acid glycine conjugates  ;SYN:(23R)-Hydroxychenodeoxycholylglycine; 12-Deoxycholylglycine; 12-Desoxycholylglycine; 3a,7a-Dihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Chenodeoxycholic acid glycine conjugate; Chenodeoxycholylglycine;  Glycine chenodeoxycholate; Glycochenodeoxycholate; Glycochenodeoxycholic acid; Glycylchenodeoxycholate; Glycylchenodeoxycholic acid; N-(3a,7a-dihydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a,7a-dihydroxy-5b-Cholan-24-amideH2Bile; Blood; Urine	Inhouse_peptide	NA	peptide
+PJ095999	SSTTLKKW 	C43H71N11O13	949.5233	NA	PeJP	NA	NA
+PJ096000	VKKKMMW 	C44H75N11O8S2	949.5242	NA	PeJP	NA	NA
+PJ096001	AAKRRYW 	C44H67N15O9	949.5247	NA	PeJP	NA	NA
+PJ096002	SSLKKKEM 	C40H75N11O13S	949.5267	NA	PeJP	NA	NA
+PJ096003	VLLKEYW 	C48H71N9O11	949.5273	NA	PeJP	NA	NA
+PJ096004	PPPVLLEW 	C48H71N9O11	949.5274	NA	PeJP	NA	NA
+PJ096005	PCKKRRY 	C41H71N15O9S	949.528	NA	PeJP	NA	NA
+PJ096006	KKFRWW 	C49H67N13O7	949.5287	NA	PeJP	NA	NA
+PJ096007	STTTTKRR 	C37H71N15O14	949.5305	NA	PeJP	NA	NA
+PJ096008	SPVLLKMY 	C45H75N9O11S	949.5307	NA	PeJP	NA	NA
+PJ096009	TKKMMRR 	C38H75N15O9S2	949.5314	NA	PeJP	NA	NA
+PJ096010	GSRRRRY 	C38H67N19O10	949.5319	NA	PeJP	NA	NA
+PJ096011	STTTTTLLL 	C41H75N9O16	949.5332	NA	PeJP	NA	NA
+PJ096012	TTLLLKMM 	C42H79N9O11S2	949.5341	NA	PeJP	NA	NA
+PJ096013	VQKKERY 	C42H71N13O12	949.5345	NA	PeJP	NA	NA
+PJ096014	TLLERRY 	C42H71N13O12	949.5346	NA	PeJP	NA	NA
+PJ096015	APKHRRW 	C43H67N17O8	949.5359	NA	PeJP	NA	NA
+PJ096016	SSTLKKMR 	C39H75N13O12S	949.5379	NA	PeJP	NA	NA
+PJ096017	SLLLRYW 	C47H71N11O10	949.5386	NA	PeJP	NA	NA
+PJ096018	GKMFRRR 	C40H71N17O8S	949.5393	NA	PeJP	NA	NA
+PJ096019	AALLLMRY 	C44H75N11O10S	949.542	NA	PeJP	NA	NA
+PJ096020	PLLKFFW 	C52H71N9O8	949.5426	NA	PeJP	NA	NA
+PJ096021	SSSSTLLKK 	C40H75N11O15	949.5444	NA	PeJP	NA	NA
+PJ096022	ATLKKKMM 	C41H79N11O10S2	949.5453	NA	PeJP	NA	NA
+PJ096023	AKKERRY 	C41H71N15O11	949.5458	NA	PeJP	NA	NA
+PJ096024	LLLKMFW 	C49H75N9O8S	949.546	NA	PeJP	NA	NA
+PJ096025	ATLLLKEY 	C45H75N9O13	949.5485	NA	PeJP	NA	NA
+PJ096026	GLKKRYW 	C46H71N13O9	949.5498	NA	PeJP	NA	NA
+PJ096027	VLLMRRY 	C43H75N13O9S	949.5532	NA	PeJP	NA	NA
+PJ096028	GSSSTKKKK 	C39H75N13O14	949.5557	NA	PeJP	NA	NA
+PJ096029	GCKKKKKM 	C40H79N13O9S2	949.5566	NA	PeJP	NA	NA
+PJ096030	ATKRRRY 	C40H71N17O10	949.557	NA	PeJP	NA	NA
+PJ096031	ATTLLLRY 	C44H75N11O12	949.5597	NA	PeJP	NA	NA
+PJ096032	PVKKHRW 	C45H71N15O8	949.5611	NA	PeJP	NA	NA
+PJ096033	TTTLKKKM 	C41H79N11O12S	949.5631	NA	PeJP	NA	NA
+PJ096034	GPLLLKFY 	C49H75N9O10	949.5637	NA	PeJP	NA	NA
+PJ096035	CLKKFRR 	C42H75N15O8S	949.5644	NA	PeJP	NA	NA
+PJ096036	GLLLLKMY 	C46H79N9O10S	949.5671	NA	PeJP	NA	NA
+PJ096037	PTKHRRR 	C39H71N19O9	949.5683	NA	PeJP	NA	NA
+PJ096038	VKKKERY 	C43H75N13O11	949.5709	NA	PeJP	NA	NA
+PJ096039	GGAAKKKKY 	C43H75N13O11	949.571	NA	PeJP	NA	NA
+PJ096040	STCKKKKK 	C40H79N13O11S	949.5743	NA	PeJP	NA	NA
+PJ096041	VVKKKYW 	C48H75N11O9	949.575	NA	PeJP	NA	NA
+PJ096042	GVLKKKMF 	C45H79N11O9S	949.5783	NA	PeJP	NA	NA
+PJ096043	GLHRRRR 	C38H71N21O8	949.5795	NA	PeJP	NA	NA
+PJ096044	SLKKRRY 	C42H75N15O10	949.5822	NA	PeJP	NA	NA
+PJ096045	STLLLLKY 	C46H79N9O12	949.5848	NA	PeJP	NA	NA
+PJ096046	STILLLKY 	C46H79N9O12	949.5849	NA	PeJP	NA	NA
+PJ096047	LLLLHRW 	C47H75N13O8	949.5862	NA	PeJP	NA	NA
+PJ096048	LKKKMFR 	C44H79N13O8S	949.5896	NA	PeJP	NA	NA
+PJ096049	GPPVLRRR 	C41H75N17O9	949.5934	NA	PeJP	NA	NA
+PJ096050	GTLLKKKY 	C45H79N11O11	949.5961	NA	PeJP	NA	NA
+PJ096051	PPVLLLLW 	C50H79N9O9	949.6001	NA	PeJP	NA	NA
+PJ096052	PPLRRRR 	C40H75N19O8	949.6047	NA	PeJP	NA	NA
+PJ096053	QKKKKKY 	C44H79N13O10	949.6073	NA	PeJP	NA	NA
+PJ096054	APPLLKRR 	C43H79N15O9	949.6186	NA	PeJP	NA	NA
+PJ096055	SPPVVILLL 	C47H83N9O11	949.6212	NA	PeJP	NA	NA
+PJ096056	APPTLLLLL 	C47H83N9O11	949.6213	NA	PeJP	NA	NA
+PJ096057	LLKKHRR 	C42H79N17O8	949.6298	NA	PeJP	NA	NA
+PJ096058	TLLLLLKH 	C46H83N11O10	949.6325	NA	PeJP	NA	NA
+PJ096059	KKKKKKY 	C45H83N13O9	949.6437	NA	PeJP	NA	NA
+PJ096060	GPVLLLLLL 	C48H87N9O10	949.6576	NA	PeJP	NA	NA
+PJ096061	PLLLLLLR 	C47H87N11O9	949.6689	NA	PeJP	NA	NA
+MJ098485	Acanthalactoside B 	C50H95NO15	949.670171	NA	MeJP	NA	NA
+MJ098486	Lagerstannin B 	C41H26O27	950.066145	NA	MeJP	NA	NA
+PJ096062	PCCCCCCCN 	C30H50N10O11S7	950.1706	NA	PeJP	NA	NA
+PJ096063	ACCCCCCNE 	C30H50N10O13S6	950.1883	NA	PeJP	NA	NA
+PJ096064	GCCCCCNDM 	C30H50N10O13S6	950.1884	NA	PeJP	NA	NA
+MJ098487	3,3',4,4',5,5',7-Heptahydroxyflavan; 3,5-Bis-[3,4,5-trihydroxybenzoyl-(??)-?-D-glucopyranoside] 	C41H42O26	950.196431	NA	MeJP	NA	NA
+PJ096065	CCCCCCQW 	C34H50N10O10S6	950.2036	NA	PeJP	NA	NA
+PJ096066	SSCCCCCNE 	C30H50N10O15S5	950.2061	NA	PeJP	NA	NA
+PJ096067	CCCDDDDY 	C34H46N8O18S3	950.2093	NA	PeJP	NA	NA
+PJ096068	CCCDDMMM 	C32H54N8O13S6	950.2135	NA	PeJP	NA	NA
+PJ096069	GSSCCCCCW 	C34H50N10O12S5	950.2214	NA	PeJP	NA	NA
+PJ096070	GSSSSCCCCD 	C30H50N10O17S4	950.2239	NA	PeJP	NA	NA
+PJ096071	GSCCCCNMM 	C31H54N10O12S6	950.2247	NA	PeJP	NA	NA
+MJ098488	Pradimicin L; 3B-O-Sulfate 	C41H46N2O22S	950.226291	NA	MeJP	NA	NA
+PJ096072	CCCDDDMF 	C35H50N8O15S4	950.2279	NA	PeJP	NA	NA
+PJ096073	CCCCDMHH 	C33H50N12O11S5	950.2326	NA	PeJP	NA	NA
+FL3FACDS0020	Isoorientin 4'-O-glucoside-2''-(4-glucosyloxy-2,5-dihydroxycinnamante)	C42H46O25	950.23281	80749-68-4	knapsack	NA	NA
+FL5FACGL0067	Quercetin 3-(6''''-caffeylsophorotrioside)	C42H46O25	950.23281	167638-64-4	knapsack	NA	NA
+FL5FACGL0074	Quercetin 3-(2'''-(E)-caffeylsophoroside]-7-glucoside	C42H46O25	950.23281	151649-67-1	knapsack	NA	NA
+FL5FACGS0117	Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one	C42H46O25	950.23281	247576-99-4	knapsack	NA	NA
+MJ098489	3,3',4',5,7-Pentahydroxyflavone; 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C42H46O25	950.232817	NA	MeJP	NA	NA
+MJ098490	Isoquercitrin; 2''-O-[3,4-Dihydroxycinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C42H46O25	950.232817	NA	MeJP	NA	NA
+MJ098491	Quercimeritrin; 3-O-(Caffeoylsophoroside) 	C42H46O25	950.232817	NA	MeJP	NA	NA
+MJ098492	Quercimeritrin; 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 6''-O-(3,4-dihydroxy-E-cinnamoyl) 	C42H46O25	950.232817	NA	MeJP	NA	NA
+MJ098493	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3,3'-Di-O-?-D-glucopyranoside, 5-O-[3,4-dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside] 	C42H47O25(+)	950.232817	NA	MeJP	NA	NA
+PJ096074	GTCCCCCCR 	C30H54N12O11S6	950.236	NA	PeJP	NA	NA
+PJ096075	CCDDDDEH 	C33H46N10O19S2	950.2383	NA	PeJP	NA	NA
+PJ096076	CCCCNNEY 	C34H50N10O14S4	950.2391	NA	PeJP	NA	NA
+PJ096077	CCCCCCKW 	C35H54N10O9S6	950.24	NA	PeJP	NA	NA
+PJ096078	SSSCCCCQM 	C31H54N10O14S5	950.2425	NA	PeJP	NA	NA
+PJ096079	SCCDDDMY 	C35H50N8O17S3	950.2456	NA	PeJP	NA	NA
+PJ096080	PCCCCEMY 	C36H54N8O12S5	950.2465	NA	PeJP	NA	NA
+PJ096081	SCCDMMMM 	C33H58N8O12S6	950.2499	NA	PeJP	NA	NA
+PJ096082	GPCCCCNDH 	C33H50N12O13S4	950.2504	NA	PeJP	NA	NA
+PJ096083	SSSCCCCCR 	C30H54N12O13S5	950.2537	NA	PeJP	NA	NA
+PJ096084	GCCCCNYW 	C38H50N10O11S4	950.2544	NA	PeJP	NA	NA
+PJ096085	GSSCCCNDY 	C34H50N10O16S3	950.2569	NA	PeJP	NA	NA
+PJ096086	CCCCNQMF 	C35H54N10O11S5	950.2577	NA	PeJP	NA	NA
+PJ096087	GGCCCCQMF 	C35H54N10O11S5	950.2578	NA	PeJP	NA	NA
+PJ096088	GSSSSSCCCM 	C31H54N10O16S4	950.2602	NA	PeJP	NA	NA
+PJ096089	GTCCCCCKM 	C32H58N10O11S6	950.2611	NA	PeJP	NA	NA
+PJ096090	GCCDEMMY 	C36H54N8O14S4	950.2643	NA	PeJP	NA	NA
+PJ096091	CCNNDDMH 	C33H50N12O15S3	950.2681	NA	PeJP	NA	NA
+PJ096092	ACCMMMMM 	C34H62N8O9S7	950.2685	NA	PeJP	NA	NA
+PJ096093	CCCCCNFR 	C34H54N12O10S5	950.269	NA	PeJP	NA	NA
+PJ096094	NNDDDDDE 	C33H46N10O23	950.2738	NA	PeJP	NA	NA
+PJ096095	SCDDDEMH 	C34H50N10O18S2	950.2746	NA	PeJP	NA	NA
+PJ096096	SCCCNQMY 	C35H54N10O13S4	950.2755	NA	PeJP	NA	NA
+PJ096097	SSSSSSTCCC 	C31H54N10O18S3	950.278	NA	PeJP	NA	NA
+PJ096098	GCCDDEFY 	C39H50N8O16S2	950.2787	NA	PeJP	NA	NA
+PJ096099	SSSCCCCKM 	C32H58N10O13S5	950.2789	NA	PeJP	NA	NA
+PJ096100	GSCCCNNNH 	C32H50N14O14S3	950.2793	NA	PeJP	NA	NA
+PJ096101	GGGSCCCNNH 	C32H50N14O14S3	950.2794	NA	PeJP	NA	NA
+PJ096102	CCDMMYW 	C40H54N8O11S4	950.2795	NA	PeJP	NA	NA
+PJ096103	PDDDDDEM 	C35H50N8O21S	950.2812	NA	PeJP	NA	NA
+PJ096104	SSCDDMMY 	C36H54N8O16S3	950.282	NA	PeJP	NA	NA
+PJ096105	PTCCCMMY 	C37H58N8O11S5	950.2829	NA	PeJP	NA	NA
+PJ096106	GCCCNEHW 	C37H50N12O12S3	950.2834	NA	PeJP	NA	NA
+PJ096107	GSSCCNDEH 	C33H50N12O17S2	950.2859	NA	PeJP	NA	NA
+PJ096108	SSCMMMMM 	C34H62N8O11S6	950.2863	NA	PeJP	NA	NA
+PJ096109	SCCCCNRY 	C34H54N12O12S4	950.2867	NA	PeJP	NA	NA
+PJ096110	GGGSPCCCMH 	C34H54N12O12S4	950.2868	NA	PeJP	NA	NA
+PJ096111	GNDDDDDW 	C37H46N10O20	950.289	NA	PeJP	NA	NA
+PJ096112	GCCNNDYY 	C38H50N10O15S2	950.2899	NA	PeJP	NA	NA
+PJ096113	GSPCNDDDE 	C34H50N10O20S	950.2924	NA	PeJP	NA	NA
+PJ096114	GSSSCCNMY 	C35H54N10O15S3	950.2933	NA	PeJP	NA	NA
+PJ096115	CCDDFYW 	C43H50N8O13S2	950.2939	NA	PeJP	NA	NA
+PJ096116	CCCCNKMF 	C36H58N10O10S5	950.2941	NA	PeJP	NA	NA
+PJ096117	PCCCDHHH 	C36H50N14O11S3	950.2946	NA	PeJP	NA	NA
+PJ096118	GSCDDEYY 	C39H50N8O18S	950.2964	NA	PeJP	NA	NA
+PJ096119	GPCCDMYY 	C40H54N8O13S3	950.2973	NA	PeJP	NA	NA
+PJ096120	CCMMMFW 	C41H58N8O8S5	950.2982	NA	PeJP	NA	NA
+PJ096121	CCCNHWW 	C41H50N12O9S3	950.2986	NA	PeJP	NA	NA
+PJ096122	GDDEEEEE 	C35H50N8O23	950.2989	NA	PeJP	NA	NA
+PJ096123	ASCDMMMY 	C37H58N8O13S4	950.3006	NA	PeJP	NA	NA
+PJ096124	GSCEMMMY 	C37H58N8O13S4	950.3007	NA	PeJP	NA	NA
+PJ096125	SSCCNDHW 	C37H50N12O14S2	950.3011	NA	PeJP	NA	NA
+PJ096126	ACCCMHHF 	C38H54N12O9S4	950.302	NA	PeJP	NA	NA
+PJ096127	SSSSCNDDH 	C33H50N12O19S	950.3036	NA	PeJP	NA	NA
+PJ096128	GGGGGGNDDDM 	C33H50N12O19S	950.3037	NA	PeJP	NA	NA
+PJ096129	SCNNDMMH 	C34H54N12O14S3	950.3045	NA	PeJP	NA	NA
+PJ096130	SPCNDDDW 	C38H50N10O17S	950.3077	NA	PeJP	NA	NA
+PJ096131	CDEMMHW 	C39H54N10O12S3	950.3085	NA	PeJP	NA	NA
+PJ096132	SNNDDEEE 	C34H50N10O22	950.3102	NA	PeJP	NA	NA
+PJ096133	SSSSSCCQY 	C35H54N10O17S2	950.311	NA	PeJP	NA	NA
+PJ096134	SCDDYYW 	C43H50N8O15S	950.3117	NA	PeJP	NA	NA
+PJ096135	SCCCNKMY 	C36H58N10O12S4	950.3119	NA	PeJP	NA	NA
+PJ096136	GCDDMHHH 	C36H50N14O13S2	950.3124	NA	PeJP	NA	NA
+PJ096137	CCDMFFW 	C44H54N8O10S3	950.3125	NA	PeJP	NA	NA
+PJ096138	DDEEEEW 	C39H50N8O20	950.3142	NA	PeJP	NA	NA
+PJ096139	GSCNNNNND 	C32H50N14O18S	950.3149	NA	PeJP	NA	NA
+PJ096140	NDDMMYY 	C40H54N8O15S2	950.315	NA	PeJP	NA	NA
+PJ096141	SCCCNEHR 	C33H54N14O13S3	950.3157	NA	PeJP	NA	NA
+PJ096142	SCMMMYW 	C41H58N8O10S4	950.3159	NA	PeJP	NA	NA
+PJ096143	SPCEEEEE 	C36H54N8O20S	950.3175	NA	PeJP	NA	NA
+PJ096144	SPDDEEEM 	C36H54N8O20S	950.3176	NA	PeJP	NA	NA
+PJ096145	SSSDMMMY 	C37H58N8O15S3	950.3184	NA	PeJP	NA	NA
+PJ096146	GCNNNDEW 	C37H50N12O16S	950.3189	NA	PeJP	NA	NA
+PJ096147	NMMMMMY 	C38H62N8O10S5	950.3193	NA	PeJP	NA	NA
+PJ096148	GSCCQMHW 	C38H54N12O11S3	950.3198	NA	PeJP	NA	NA
+PJ096149	SNDDDDDR 	C33H50N12O21	950.3214	NA	PeJP	NA	NA
+PJ096150	ASSSCCQEH 	C34H54N12O16S2	950.3222	NA	PeJP	NA	NA
+PJ096151	PCCNDDER 	C34H54N12O16S2	950.3223	NA	PeJP	NA	NA
+PJ096152	CDDEHFW 	C42H50N10O14S	950.3229	NA	PeJP	NA	NA
+PJ096153	GCNQMMMH 	C35H58N12O11S4	950.3231	NA	PeJP	NA	NA
+PJ096154	SCCNNHHH 	C35H50N16O12S2	950.3236	NA	PeJP	NA	NA
+PJ096155	GPPCCCWW 	C43H54N10O9S3	950.3238	NA	PeJP	NA	NA
+PJ096156	GSNDDEEW 	C38H50N10O19	950.3254	NA	PeJP	NA	NA
+PJ096157	GPCNDEMW 	C39H54N10O14S2	950.3263	NA	PeJP	NA	NA
+PJ096158	CCEHHHW 	C40H50N14O10S2	950.3276	NA	PeJP	NA	NA
+PJ096159	GSSSSSSSCY 	C35H54N10O19S	950.3288	NA	PeJP	NA	NA
+PJ096160	NDDDFYY 	C43H50N8O17	950.3294	NA	PeJP	NA	NA
+PJ096161	GSSTCCCKY 	C36H58N10O14S3	950.3296	NA	PeJP	NA	NA
+PJ096162	GSEEMMMH 	C36H58N10O14S3	950.3297	NA	PeJP	NA	NA
+PJ096163	SSCDEHHH 	C36H50N14O15S	950.3301	NA	PeJP	NA	NA
+PJ096164	GCEMYYW 	C44H54N8O12S2	950.3303	NA	PeJP	NA	NA
+PJ096165	APCMMMMH 	C37H62N10O9S5	950.3305	NA	PeJP	NA	NA
+PJ096166	GSCCCHRW 	C37H54N14O10S3	950.331	NA	PeJP	NA	NA
+PJ096167	GSSDEMYY 	C40H54N8O17S	950.3328	NA	PeJP	NA	NA
+PJ096168	GSSSCCDHR 	C33H54N14O15S2	950.3335	NA	PeJP	NA	NA
+PJ096169	GSPCMMYY 	C41H58N8O12S3	950.3337	NA	PeJP	NA	NA
+PJ096170	CNNNDWW 	C41H50N12O13S	950.3341	NA	PeJP	NA	NA
+PJ096171	GGGGCNDWW 	C41H50N12O13S	950.3342	NA	PeJP	NA	NA
+PJ096172	GCCNMMHR 	C34H58N14O10S4	950.3344	NA	PeJP	NA	NA
+PJ096173	GTEEEEEE 	C36H54N8O22	950.3353	NA	PeJP	NA	NA
+PJ096174	GPEEEEMM 	C37H58N8O17S2	950.3362	NA	PeJP	NA	NA
+PJ096175	SSNNNDDW 	C37H50N12O18	950.3366	NA	PeJP	NA	NA
+PJ096176	GGGGSSNDDW 	C37H50N12O18	950.3367	NA	PeJP	NA	NA
+PJ096177	GSTMMMMY 	C38H62N8O12S4	950.337	NA	PeJP	NA	NA
+PJ096178	GPCCDDRW 	C38H54N12O13S2	950.3375	NA	PeJP	NA	NA
+PJ096179	GNDDDEMR 	C34H54N12O18S	950.34	NA	PeJP	NA	NA
+PJ096180	SNDDEWW 	C42H50N10O16	950.3407	NA	PeJP	NA	NA
+PJ096181	GSPPCCCER 	C35H58N12O13S3	950.3409	NA	PeJP	NA	NA
+PJ096182	PCNDMWW 	C43H54N10O11S2	950.3415	NA	PeJP	NA	NA
+PJ096183	GGGGGCCFFF 	C43H54N10O11S2	950.3416	NA	PeJP	NA	NA
+PJ096184	NNEEEMW 	C39H54N10O16S	950.344	NA	PeJP	NA	NA
+PJ096185	GGGGEEEMW 	C39H54N10O16S	950.3441	NA	PeJP	NA	NA
+PJ096186	CCNNNNNR 	C32H54N16O14S2	950.3447	NA	PeJP	NA	NA
+PJ096187	GGGGGGGGCCNR 	C32H54N16O14S2	950.3448	NA	PeJP	NA	NA
+PJ096188	SEMMMHW 	C40H58N10O11S3	950.3449	NA	PeJP	NA	NA
+PJ096189	CMYYWW 	C48H54N8O9S2	950.3455	NA	PeJP	NA	NA
+PJ096190	ACCCCHRR 	C33H58N16O9S4	950.3456	NA	PeJP	NA	NA
+PJ096191	SSNQEEEE 	C35H54N10O21	950.3465	NA	PeJP	NA	NA
+PJ096192	GGGGSTEEEE 	C35H54N10O21	950.3466	NA	PeJP	NA	NA
+PJ096193	SSSSSCCKY 	C36H58N10O16S2	950.3474	NA	PeJP	NA	NA
+PJ096194	GNNDEEHH 	C36H50N14O17	950.3479	NA	PeJP	NA	NA
+PJ096195	SSDMYYW 	C44H54N8O14S	950.348	NA	PeJP	NA	NA
+PJ096196	GGPCEYYY 	C44H54N8O14S	950.3481	NA	PeJP	NA	NA
+PJ096197	TCCCCKKY 	C37H62N10O11S4	950.3483	NA	PeJP	NA	NA
+PJ096198	SVCCEHHH 	C37H54N14O12S2	950.3487	NA	PeJP	NA	NA
+PJ096199	GCCNDHFR 	C37H54N14O12S2	950.3488	NA	PeJP	NA	NA
+PJ096200	ACMMFYW 	C45H58N8O9S3	950.3489	NA	PeJP	NA	NA
+PJ096201	SSSSEEYY 	C40H54N8O19	950.3505	NA	PeJP	NA	NA
+PJ096202	TEEEEEW 	C40H54N8O19	950.3506	NA	PeJP	NA	NA
+PJ096203	SCNNNDER 	C33H54N14O17S	950.3512	NA	PeJP	NA	NA
+PJ096204	GCDDDDRR 	C33H54N14O17S	950.3513	NA	PeJP	NA	NA
+PJ096205	PEEEMMW 	C41H58N8O14S2	950.3514	NA	PeJP	NA	NA
+PJ096206	SSCCQMHR 	C34H58N14O12S3	950.3521	NA	PeJP	NA	NA
+PJ096207	NMMMMFF 	C42H62N8O9S4	950.3523	NA	PeJP	NA	NA
+PJ096208	CNNMHFW 	C42H54N12O10S2	950.3528	NA	PeJP	NA	NA
+PJ096209	GVEEEEEM 	C37H58N8O19S	950.3539	NA	PeJP	NA	NA
+PJ096210	SSTTMMMY 	C38H62N8O14S3	950.3548	NA	PeJP	NA	NA
+PJ096211	NDDDMRW 	C38H54N12O15S	950.3553	NA	PeJP	NA	NA
+PJ096212	GSDDWWW 	C46H50N10O13	950.3559	NA	PeJP	NA	NA
+PJ096213	SPPCCCRW 	C39H58N12O10S3	950.3561	NA	PeJP	NA	NA
+PJ096214	GGPCCCKHF 	C39H58N12O10S3	950.3562	NA	PeJP	NA	NA
+PJ096215	APCCWWW 	C47H54N10O8S2	950.3568	NA	PeJP	NA	NA
+PJ096216	SSNDDEER 	C34H54N12O20	950.3578	NA	PeJP	NA	NA
+PJ096217	SPCNDEMR 	C35H58N12O15S2	950.3586	NA	PeJP	NA	NA
+PJ096218	GGSPCDEMR 	C35H58N12O15S2	950.3587	NA	PeJP	NA	NA
+PJ096219	SNNNNDHH 	C35H50N16O16	950.3591	NA	PeJP	NA	NA
+PJ096220	GNEEMWW 	C43H54N10O13S	950.3593	NA	PeJP	NA	NA
+PJ096221	DMMMMHR 	C36H62N12O10S4	950.3595	NA	PeJP	NA	NA
+PJ096222	PCMMHFW 	C44H58N10O8S3	950.3602	NA	PeJP	NA	NA
+PJ096223	GSSQEEEW 	C39H54N10O18	950.3618	NA	PeJP	NA	NA
+PJ096224	GSPNEMMW 	C40H58N10O13S2	950.3627	NA	PeJP	NA	NA
+PJ096225	NNDEHHW 	C40H50N14O14	950.3631	NA	PeJP	NA	NA
+PJ096226	GGGGDEHHW 	C40H50N14O14	950.3632	NA	PeJP	NA	NA
+PJ096227	GPCYYYW 	C48H54N8O11S	950.3633	NA	PeJP	NA	NA
+PJ096228	SSCCCHRR 	C33H58N16O11S3	950.3634	NA	PeJP	NA	NA
+PJ096229	CLMMMHW 	C41H62N10O8S4	950.3635	NA	PeJP	NA	NA
+PJ096230	TCMHHHW 	C41H54N14O9S2	950.364	NA	PeJP	NA	NA
+MJ098494	Albomycin; Albomycin ?1 	C36H58N10O18S	950.365125	NA	MeJP	NA	NA
+PJ096231	EEEEEMR 	C36H58N10O18S	950.3652	NA	PeJP	NA	NA
+PJ096232	PDEEEFW 	C44H54N8O16	950.3658	NA	PeJP	NA	NA
+PJ096233	ATTEMMMH 	C37H62N10O13S3	950.366	NA	PeJP	NA	NA
+PJ096234	GGGAAPEMMM 	C37H62N10O13S3	950.3661	NA	PeJP	NA	NA
+PJ096235	GSCNNDRW 	C37H54N14O14S	950.3665	NA	PeJP	NA	NA
+PJ096236	GTMMYYW 	C45H58N8O11S2	950.3667	NA	PeJP	NA	NA
+PJ096237	QMMMHHH 	C38H58N14O9S3	950.3674	NA	PeJP	NA	NA
+PJ096238	GSCHHHHH 	C38H50N18O10S	950.3679	NA	PeJP	NA	NA
+PJ096239	GSSSNNDDR 	C33H54N14O19	950.369	NA	PeJP	NA	NA
+PJ096240	VEEEEMW 	C41H58N8O16S	950.3692	NA	PeJP	NA	NA
+PJ096241	SPCCDDRR 	C34H58N14O14S2	950.3699	NA	PeJP	NA	NA
+PJ096242	VNMMMYY 	C42H62N8O11S3	950.37	NA	PeJP	NA	NA
+PJ096243	GGVMMMYY 	C42H62N8O11S3	950.3701	NA	PeJP	NA	NA
+PJ096244	GCDERWW 	C42H54N12O12S	950.3705	NA	PeJP	NA	NA
+PJ096245	GGGGGGGPCFW 	C42H54N12O12S	950.3706	NA	PeJP	NA	NA
+PJ096246	ACCCKMHR 	C35H62N14O9S4	950.3708	NA	PeJP	NA	NA
+PJ096247	SSLEEEEE 	C37H58N8O21	950.3717	NA	PeJP	NA	NA
+PJ096248	SPVEEEMM 	C38H62N8O16S2	950.3726	NA	PeJP	NA	NA
+PJ096249	GSSDDERW 	C38H54N12O17	950.373	NA	PeJP	NA	NA
+PJ096250	GGGGGGGGSPEY 	C38H54N12O17	950.3731	NA	PeJP	NA	NA
+PJ096251	PPVDMMMM 	C39H66N8O11S4	950.3734	NA	PeJP	NA	NA
+PJ096252	GSPCDMRW 	C39H58N12O12S2	950.3739	NA	PeJP	NA	NA
+PJ096253	GPDDHHHH 	C39H50N16O13	950.3744	NA	PeJP	NA	NA
+PJ096254	NEMWWW 	C47H54N10O10S	950.3745	NA	PeJP	NA	NA
+PJ096255	GGEMWWW 	C47H54N10O10S	950.3746	NA	PeJP	NA	NA
+PJ096256	GSNEEEMR 	C35H58N12O17S	950.3764	NA	PeJP	NA	NA
+PJ096257	SSQEEWW 	C43H54N10O15	950.377	NA	PeJP	NA	NA
+PJ096258	GGSTEEWW 	C43H54N10O15	950.3771	NA	PeJP	NA	NA
+PJ096259	GPNDMMMR 	C36H62N12O12S3	950.3773	NA	PeJP	NA	NA
+PJ096260	GNNNQMHH 	C36H54N16O13S	950.3777	NA	PeJP	NA	NA
+PJ096261	GGGGGNQMHH 	C36H54N16O13S	950.3778	NA	PeJP	NA	NA
+PJ096262	SPNMMWW 	C44H58N10O10S2	950.3779	NA	PeJP	NA	NA
+PJ096263	GNDHHWW 	C44H50N14O11	950.3784	NA	PeJP	NA	NA
+PJ096264	CFFYWW 	C52H54N8O8S	950.3786	NA	PeJP	NA	NA
+PJ096265	NDKEEMW 	C40H58N10O15S	950.3804	NA	PeJP	NA	NA
+PJ096266	QEYYYW 	C48H54N8O13	950.3811	NA	PeJP	NA	NA
+PJ096267	PQQMMMW 	C41H62N10O10S3	950.3813	NA	PeJP	NA	NA
+PJ096268	GSPCQHHW 	C41H54N14O11S	950.3818	NA	PeJP	NA	NA
+PJ096269	ACMFFFW 	C49H58N8O8S2	950.3819	NA	PeJP	NA	NA
+PJ096270	SSNKEEEE 	C36H58N10O20	950.3829	NA	PeJP	NA	NA
+PJ096271	TTTTEMMH 	C37H62N10O15S2	950.3838	NA	PeJP	NA	NA
+PJ096272	GNNNNQQY 	C37H54N14O16	950.3842	NA	PeJP	NA	NA
+PJ096273	GGGNNNQQY 	C37H54N14O16	950.3843	NA	PeJP	NA	NA
+PJ096274	STTMYYW 	C45H58N8O13S	950.3844	NA	PeJP	NA	NA
+PJ096275	PPPCDEFF 	C45H58N8O13S	950.3845	NA	PeJP	NA	NA
+PJ096276	GTLMMMMH 	C38H66N10O10S4	950.3847	NA	PeJP	NA	NA
+PJ096277	CNNQMRW 	C38H58N14O11S2	950.3851	NA	PeJP	NA	NA
+PJ096278	GGGGGACMRW 	C38H58N14O11S2	950.3852	NA	PeJP	NA	NA
+PJ096279	CDRWWW 	C46H54N12O9S	950.3858	NA	PeJP	NA	NA
+PJ096280	SSTTTEYY 	C41H58N8O18	950.3869	NA	PeJP	NA	NA
+PJ096281	GPVEEEEY 	C41H58N8O18	950.387	NA	PeJP	NA	NA
+PJ096282	GSDDDMRR 	C34H58N14O16S	950.3876	NA	PeJP	NA	NA
+PJ096283	GGGGGGSSEMR 	C34H58N14O16S	950.3877	NA	PeJP	NA	NA
+PJ096284	SKEMMYY 	C42H62N8O13S2	950.3878	NA	PeJP	NA	NA
+PJ096285	SSDDRWW 	C42H54N12O14	950.3883	NA	PeJP	NA	NA
+PJ096286	GPCCEMRR 	C35H62N14O11S3	950.3885	NA	PeJP	NA	NA
+PJ096287	GCNNNHHR 	C35H54N18O12S	950.389	NA	PeJP	NA	NA
+PJ096288	CCQKHFW 	C43H58N12O9S2	950.3891	NA	PeJP	NA	NA
+PJ096289	PTCCRWW 	C43H58N12O9S2	950.3892	NA	PeJP	NA	NA
+PJ096290	GMWWWW 	C51H54N10O7S	950.3898	NA	PeJP	NA	NA
+PJ096291	ATLEEEEM 	C38H62N8O18S	950.3903	NA	PeJP	NA	NA
+PJ096292	APLEEMMM 	C39H66N8O13S3	950.3912	NA	PeJP	NA	NA
+PJ096293	GSSQQQMW 	C39H58N12O14S	950.3916	NA	PeJP	NA	NA
+PJ096294	SNEEMRW 	C39H58N12O14S	950.3917	NA	PeJP	NA	NA
+PJ096295	GSTEWWW 	C47H54N10O12	950.3923	NA	PeJP	NA	NA
+PJ096296	PCQMMRW 	C40H62N12O9S3	950.3925	NA	PeJP	NA	NA
+PJ096297	CDHHHFR 	C40H54N16O10S	950.393	NA	PeJP	NA	NA
+PJ096298	SSSQEEER 	C35H58N12O19	950.3941	NA	PeJP	NA	NA
+PJ096299	GGSSTEEER 	C35H58N12O19	950.3942	NA	PeJP	NA	NA
+PJ096300	QQEEMMR 	C36H62N12O14S2	950.395	NA	PeJP	NA	NA
+PJ096301	GGGGGGAKEMM 	C36H62N12O14S2	950.3951	NA	PeJP	NA	NA
+PJ096302	GSNDEHHR 	C36H54N16O15	950.3955	NA	PeJP	NA	NA
+PJ096303	GDKEMWW 	C44H58N10O12S	950.3957	NA	PeJP	NA	NA
+PJ096304	ACCKKMMH 	C37H66N12O9S4	950.3959	NA	PeJP	NA	NA
+PJ096305	AYYYWW 	C52H54N8O10	950.3963	NA	PeJP	NA	NA
+PJ096306	CCNNRRW 	C37H58N16O10S2	950.3964	NA	PeJP	NA	NA
+PJ096307	GMHHHFW 	C45H54N14O8S	950.397	NA	PeJP	NA	NA
+PJ096308	GSSKEEEW 	C40H58N10O17	950.3982	NA	PeJP	NA	NA
+PJ096309	SSCNNDRR 	C33H58N16O15S	950.3989	NA	PeJP	NA	NA
+PJ096310	VQQEMMW 	C41H62N10O12S2	950.399	NA	PeJP	NA	NA
+PJ096311	GGLQEMMW 	C41H62N10O12S2	950.3991	NA	PeJP	NA	NA
+PJ096312	SQQEHHW 	C41H54N14O13	950.3995	NA	PeJP	NA	NA
+PJ096313	AAMFYYW 	C49H58N8O10S	950.3997	NA	PeJP	NA	NA
+PJ096314	SSLQQEEM 	C37H62N10O17S	950.4015	NA	PeJP	NA	NA
+PJ096315	GTQKEEEM 	C37H62N10O17S	950.4016	NA	PeJP	NA	NA
+PJ096316	PVEEEYW 	C45H58N8O15	950.4022	NA	PeJP	NA	NA
+PJ096317	STTLMMMH 	C38H66N10O12S3	950.4024	NA	PeJP	NA	NA
+PJ096318	SCDERRW 	C38H58N14O13S	950.4029	NA	PeJP	NA	NA
+PJ096319	PCKMFYY 	C46H62N8O10S2	950.4031	NA	PeJP	NA	NA
+PJ096320	GNNQFWW 	C46H54N12O11	950.4035	NA	PeJP	NA	NA
+PJ096321	GGGGGQFWW 	C46H54N12O11	950.4036	NA	PeJP	NA	NA
+PJ096322	PCCMRRW 	C39H62N14O8S3	950.4038	NA	PeJP	NA	NA
+PJ096323	SSSDDERR 	C34H58N14O18	950.4054	NA	PeJP	NA	NA
+PJ096324	SSSTLMYY 	C42H62N8O15S	950.4056	NA	PeJP	NA	NA
+PJ096325	ATNNNMMR 	C35H62N14O13S2	950.4062	NA	PeJP	NA	NA
+PJ096326	NDEMMRR 	C35H62N14O13S2	950.4063	NA	PeJP	NA	NA
+PJ096327	CLKMMYY 	C43H66N8O10S3	950.4064	NA	PeJP	NA	NA
+PJ096328	GSEMRWW 	C43H58N12O11S	950.4069	NA	PeJP	NA	NA
+PJ096329	STWWWW 	C51H54N10O9	950.4075	NA	PeJP	NA	NA
+PJ096330	PNYWWW 	C51H54N10O9	950.4076	NA	PeJP	NA	NA
+PJ096331	TTTLEEEE 	C38H62N8O20	950.4081	NA	PeJP	NA	NA
+PJ096332	AVLEEEMM 	C39H66N8O15S2	950.4089	NA	PeJP	NA	NA
+PJ096333	GLLEEEMM 	C39H66N8O15S2	950.409	NA	PeJP	NA	NA
+PJ096334	GSSTEERW 	C39H58N12O16	950.4094	NA	PeJP	NA	NA
+PJ096335	PPTLMMMM 	C40H70N8O10S4	950.4098	NA	PeJP	NA	NA
+PJ096336	AQEMMRW 	C40H62N12O11S2	950.4103	NA	PeJP	NA	NA
+PJ096337	SNDHHRW 	C40H54N16O12	950.4107	NA	PeJP	NA	NA
+PJ096338	GGSDHHRW 	C40H54N16O12	950.4108	NA	PeJP	NA	NA
+PJ096339	DKMWWW 	C48H58N10O9S	950.4109	NA	PeJP	NA	NA
+PJ096340	GSDKEEMR 	C36H62N12O16S	950.4128	NA	PeJP	NA	NA
+PJ096341	SSKEEWW 	C44H58N10O14	950.4134	NA	PeJP	NA	NA
+PJ096342	GGGVVDDFW 	C44H58N10O14	950.4135	NA	PeJP	NA	NA
+PJ096343	GPTQMMMR 	C37H66N12O11S3	950.4137	NA	PeJP	NA	NA
+PJ096344	NQEMHHR 	C37H58N16O12S	950.4141	NA	PeJP	NA	NA
+PJ096345	GGGGGGPPCHR 	C37H58N16O12S	950.4142	NA	PeJP	NA	NA
+PJ096346	GLQMMWW 	C45H62N10O9S2	950.4143	NA	PeJP	NA	NA
+PJ096347	GTQHHWW 	C45H54N14O10	950.4148	NA	PeJP	NA	NA
+PJ096348	TQKEEMW 	C41H62N10O14S	950.4168	NA	PeJP	NA	NA
+PJ096349	KEYYYW 	C49H58N8O12	950.4174	NA	PeJP	NA	NA
+PJ096350	PPPEYYW 	C49H58N8O12	950.4175	NA	PeJP	NA	NA
+PJ096351	PQKMMMW 	C42H66N10O9S3	950.4177	NA	PeJP	NA	NA
+PJ096352	VNQMHHW 	C42H58N14O10S	950.4181	NA	PeJP	NA	NA
+PJ096353	GGVQMHHW 	C42H58N14O10S	950.4182	NA	PeJP	NA	NA
+PJ096354	SSDKKEEE 	C37H62N10O19	950.4193	NA	PeJP	NA	NA
+PJ096355	GVQKEEMM 	C38H66N10O14S2	950.4202	NA	PeJP	NA	NA
+PJ096356	SSSSNQRW 	C38H58N14O15	950.4206	NA	PeJP	NA	NA
+PJ096357	GGGGSSSTRW 	C38H58N14O15	950.4207	NA	PeJP	NA	NA
+PJ096358	PLEEMFW 	C46H62N8O12S	950.4208	NA	PeJP	NA	NA
+PJ096359	GDMMRRW 	C39H62N14O10S2	950.4215	NA	PeJP	NA	NA
+PJ096360	QQQHHHH 	C39H54N18O11	950.422	NA	PeJP	NA	NA
+PJ096361	SMRWWW 	C47H58N12O8S	950.4222	NA	PeJP	NA	NA
+PJ096362	TTTTTTYY 	C42H62N8O17	950.4233	NA	PeJP	NA	NA
+PJ096363	GSSEEMRR 	C35H62N14O15S	950.424	NA	PeJP	NA	NA
+PJ096364	LLEEMMW 	C43H66N8O12S2	950.4242	NA	PeJP	NA	NA
+PJ096365	SSTERWW 	C43H58N12O13	950.4247	NA	PeJP	NA	NA
+PJ096366	GPTCMMRR 	C36H66N14O10S3	950.4249	NA	PeJP	NA	NA
+PJ096367	CNEHHRR 	C36H58N18O11S	950.4254	NA	PeJP	NA	NA
+PJ096368	AAMMRWW 	C44H62N12O8S2	950.4255	NA	PeJP	NA	NA
+PJ096369	PTHHHHW 	C44H54N16O9	950.426	NA	PeJP	NA	NA
+PJ096370	STLLEEEM 	C39H66N8O17S	950.4267	NA	PeJP	NA	NA
+PJ096371	SPLLEMMM 	C40H70N8O12S3	950.4276	NA	PeJP	NA	NA
+PJ096372	SDKEMRW 	C40H62N12O13S	950.428	NA	PeJP	NA	NA
+PJ096373	GGGGGTTKMW 	C40H62N12O13S	950.4281	NA	PeJP	NA	NA
+PJ096374	SSSLWWW 	C48H58N10O11	950.4287	NA	PeJP	NA	NA
+PJ096375	PCKMMRW 	C41H66N12O8S3	950.4289	NA	PeJP	NA	NA
+PJ096376	GQMHHRW 	C41H58N16O9S	950.4294	NA	PeJP	NA	NA
+PJ096377	SSSKEEER 	C36H62N12O18	950.4305	NA	PeJP	NA	NA
+PJ096378	GGGSSSDKKE 	C36H62N12O18	950.4306	NA	PeJP	NA	NA
+PJ096379	QKEEMMR 	C37H66N12O13S2	950.4314	NA	PeJP	NA	NA
+MJ098495	Cylindramide; 17,29-Didehydro, Mg salt (2:1) 	C54H62MgN4O10	950.431636	NA	MeJP	NA	NA
+PJ096380	NNNDRRY 	C37H58N16O14	950.4319	NA	PeJP	NA	NA
+PJ096381	STLQMWW 	C45H62N10O11S	950.432	NA	PeJP	NA	NA
+PJ096382	ATKEMWW 	C45H62N10O11S	950.4321	NA	PeJP	NA	NA
+PJ096383	AAFFFYW 	C53H58N8O9	950.4327	NA	PeJP	NA	NA
+PJ096384	APCCKHHR 	C38H62N16O9S2	950.4328	NA	PeJP	NA	NA
+PJ096385	NNHHHHR 	C38H54N20O10	950.4332	NA	PeJP	NA	NA
+PJ096386	SSSSSPTLW 	C41H62N10O16	950.4345	NA	PeJP	NA	NA
+PJ096387	GTTTKEEW 	C41H62N10O16	950.4346	NA	PeJP	NA	NA
+PJ096388	SSSNNMRR 	C34H62N16O14S	950.4352	NA	PeJP	NA	NA
+PJ096389	GGSSSNMRR 	C34H62N16O14S	950.4353	NA	PeJP	NA	NA
+PJ096390	VQKEMMW 	C42H66N10O11S2	950.4354	NA	PeJP	NA	NA
+PJ096391	GGGAAPLMMF 	C42H66N10O11S2	950.4355	NA	PeJP	NA	NA
+MJ098496	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-glucopyranoside], ?-D-glucopyranosyl ester 	C44H70O22	950.435873	NA	MeJP	NA	NA
+PJ096392	GNQQRYW 	C42H58N14O12	950.4359	NA	PeJP	NA	NA
+PJ096393	PCKFFFY 	C50H62N8O9S	950.4361	NA	PeJP	NA	NA
+PJ096394	GTKKEEEM 	C38H66N10O16S	950.4379	NA	PeJP	NA	NA
+PJ096395	VLEEEFW 	C46H62N8O14	950.4386	NA	PeJP	NA	NA
+PJ096396	GPKKEMMM 	C39H70N10O11S3	950.4388	NA	PeJP	NA	NA
+PJ096397	SSEMRRW 	C39H62N14O12S	950.4393	NA	PeJP	NA	NA
+PJ096398	CLKMFFY 	C47H66N8O9S2	950.4395	NA	PeJP	NA	NA
+PJ096399	GSPRYWW 	C47H58N12O10	950.4399	NA	PeJP	NA	NA
+PJ096400	GCHHRRW 	C40H58N18O8S	950.4406	NA	PeJP	NA	NA
+PJ096401	SSSTEERR 	C35H62N14O17	950.4418	NA	PeJP	NA	NA
+PJ096402	GPLLEEMY 	C43H66N8O14S	950.442	NA	PeJP	NA	NA
+PJ096403	TQEMMRR 	C36H66N14O12S2	950.4426	NA	PeJP	NA	NA
+PJ096404	GATEMMRR 	C36H66N14O12S2	950.4427	NA	PeJP	NA	NA
+PJ096405	PPVVMMMF 	C44H70N8O9S3	950.4428	NA	PeJP	NA	NA
+PJ096406	GSSDHHRR 	C36H58N18O13	950.4431	NA	PeJP	NA	NA
+PJ096407	ATTMRWW 	C44H62N12O10S	950.4433	NA	PeJP	NA	NA
+PJ096408	VQFWWW 	C52H58N10O8	950.4439	NA	PeJP	NA	NA
+PJ096409	GGLFWWW 	C52H58N10O8	950.444	NA	PeJP	NA	NA
+PJ096410	SVLLEEMM 	C40H70N8O14S2	950.4453	NA	PeJP	NA	NA
+PJ096411	SSSSLERW 	C40H62N12O15	950.4458	NA	PeJP	NA	NA
+PJ096412	PVVLMMMM 	C41H74N8O9S4	950.4462	NA	PeJP	NA	NA
+PJ096413	AKEMMRW 	C41H66N12O10S2	950.4467	NA	PeJP	NA	NA
+PJ096414	STQHHRW 	C41H58N16O11	950.4471	NA	PeJP	NA	NA
+PJ096415	GGGGPQHRW 	C41H58N16O11	950.4472	NA	PeJP	NA	NA
+PJ096416	GPKMFWW 	C49H62N10O8S	950.4473	NA	PeJP	NA	NA
+PJ096417	GTTKEEMR 	C37H66N12O15S	950.4492	NA	PeJP	NA	NA
+PJ096418	TTTKEWW 	C45H62N10O13	950.4498	NA	PeJP	NA	NA
+PJ096419	GPTKMMMR 	C38H70N12O10S3	950.45	NA	PeJP	NA	NA
+PJ096420	GGGVLMMMR 	C38H70N12O10S3	950.4501	NA	PeJP	NA	NA
+PJ096421	NNNMFRR 	C38H62N16O11S	950.4505	NA	PeJP	NA	NA
+PJ096422	GLKMMWW 	C46H66N10O8S2	950.4507	NA	PeJP	NA	NA
+PJ096423	GTKHHWW 	C46H58N14O9	950.4512	NA	PeJP	NA	NA
+PJ096424	GSSSSSQRR 	C34H62N16O16	950.453	NA	PeJP	NA	NA
+PJ096425	TKKEEMW 	C42H66N10O13S	950.4532	NA	PeJP	NA	NA
+PJ096426	PPLEFYW 	C50H62N8O11	950.4538	NA	PeJP	NA	NA
+MJ098497	Stelladelin C 	C50H62N8O11	950.453804	NA	MeJP	NA	NA
+PJ096427	SDMMRRR 	C35H66N16O11S2	950.4539	NA	PeJP	NA	NA
+PJ096428	PKKMMMW 	C43H70N10O8S3	950.4541	NA	PeJP	NA	NA
+PJ096429	APCRRYW 	C43H62N14O9S	950.4545	NA	PeJP	NA	NA
+PJ096430	AFRWWW 	C51H58N12O7	950.4552	NA	PeJP	NA	NA
+PJ096431	STTKKEEE 	C38H66N10O18	950.4557	NA	PeJP	NA	NA
+PJ096432	VTTLQQMM 	C39H70N10O13S2	950.4565	NA	PeJP	NA	NA
+PJ096433	GVKKEEMM 	C39H70N10O13S2	950.4566	NA	PeJP	NA	NA
+PJ096434	SSSSNKRW 	C39H62N14O14	950.457	NA	PeJP	NA	NA
+PJ096435	GGGGGGGTLRY 	C39H62N14O14	950.4571	NA	PeJP	NA	NA
+PJ096436	PLLEMYW 	C47H66N8O11S	950.4572	NA	PeJP	NA	NA
+PJ096437	ATMMRRW 	C40H66N14O9S2	950.4579	NA	PeJP	NA	NA
+PJ096438	VEHHHHR 	C40H58N18O10	950.4584	NA	PeJP	NA	NA
+PJ096439	GVLLEEEY 	C43H66N8O16	950.4597	NA	PeJP	NA	NA
+PJ096440	GTTTEMRR 	C36H66N14O14S	950.4604	NA	PeJP	NA	NA
+PJ096441	SPPLLMMY 	C44H70N8O11S2	950.4606	NA	PeJP	NA	NA
+PJ096442	TTTTRWW 	C44H62N12O12	950.461	NA	PeJP	NA	NA
+PJ096443	GLQERYW 	C44H62N12O12	950.4611	NA	PeJP	NA	NA
+PJ096444	VQMMMRR 	C37H70N14O9S3	950.4613	NA	PeJP	NA	NA
+PJ096445	SQMHHRR 	C37H62N18O10S	950.4617	NA	PeJP	NA	NA
+PJ096446	GGTMHHRR 	C37H62N18O10S	950.4618	NA	PeJP	NA	NA
+PJ096447	VVHHHHW 	C45H58N16O8	950.4624	NA	PeJP	NA	NA
+PJ096448	ALLLEMMM 	C41H74N8O11S3	950.464	NA	PeJP	NA	NA
+PJ096449	TTKEMRW 	C41H66N12O12S	950.4644	NA	PeJP	NA	NA
+PJ096450	GGGGGGALKMF 	C41H66N12O12S	950.4645	NA	PeJP	NA	NA
+PJ096451	APTKYWW 	C49H62N10O10	950.4651	NA	PeJP	NA	NA
+PJ096452	PPCHRRW 	C42H62N16O8S	950.4658	NA	PeJP	NA	NA
+PJ096453	STTTKEER 	C37H66N12O17	950.4669	NA	PeJP	NA	NA
+PJ096454	KKEEMMR 	C38H70N12O12S2	950.4678	NA	PeJP	NA	NA
+PJ096455	GDERRRY 	C38H62N16O13	950.4683	NA	PeJP	NA	NA
+PJ096456	STLKMWW 	C46H66N10O10S	950.4684	NA	PeJP	NA	NA
+PJ096457	GGPLKMYW 	C46H66N10O10S	950.4685	NA	PeJP	NA	NA
+PJ096458	SSTTLKEW 	C42H66N10O15	950.4709	NA	PeJP	NA	NA
+PJ096459	GPTKKEEY 	C42H66N10O15	950.471	NA	PeJP	NA	NA
+PJ096460	SSSCQKRR 	C35H66N16O13S	950.4716	NA	PeJP	NA	NA
+PJ096461	VKKEMMW 	C43H70N10O10S2	950.4718	NA	PeJP	NA	NA
+PJ096462	AAERRYW 	C43H62N14O11	950.4723	NA	PeJP	NA	NA
+PJ096463	AMMMRRR 	C36H70N16O8S3	950.4725	NA	PeJP	NA	NA
+PJ096464	SCHHRRR 	C36H62N20O9S	950.473	NA	PeJP	NA	NA
+PJ096465	SSLKKEEM 	C39H70N10O15S	950.4743	NA	PeJP	NA	NA
+PJ096466	VLLEEYW 	C47H66N8O13	950.475	NA	PeJP	NA	NA
+PJ096467	SPVKKMMM 	C40H74N10O10S3	950.4752	NA	PeJP	NA	NA
+PJ096468	NQQKMFR 	C40H66N14O11S	950.4756	NA	PeJP	NA	NA
+PJ096469	TTTMRRW 	C40H66N14O11S	950.4757	NA	PeJP	NA	NA
+PJ096470	LQRYWW 	C48H62N12O9	950.4763	NA	PeJP	NA	NA
+PJ096471	STTTTERR 	C36H66N14O16	950.4782	NA	PeJP	NA	NA
+PJ096472	SPVLLEMY 	C44H70N8O13S	950.4783	NA	PeJP	NA	NA
+PJ096473	GLLLEEMF 	C44H70N8O13S	950.4784	NA	PeJP	NA	NA
+PJ096474	TKEMMRR 	C37H70N14O11S2	950.479	NA	PeJP	NA	NA
+PJ096475	PDDHRRR 	C37H62N18O12	950.4795	NA	PeJP	NA	NA
+PJ096476	APKMRYW 	C45H66N12O9S	950.4797	NA	PeJP	NA	NA
+PJ096477	VKFWWW 	C53H62N10O7	950.4803	NA	PeJP	NA	NA
+PJ096478	TTLLLEMM 	C41H74N8O13S2	950.4817	NA	PeJP	NA	NA
+PJ096479	SSTTTLRW 	C41H66N12O14	950.4822	NA	PeJP	NA	NA
+PJ096480	SLKMMRW 	C42H70N12O9S2	950.483	NA	PeJP	NA	NA
+PJ096481	CQKKKMW 	C42H70N12O9S2	950.4831	NA	PeJP	NA	NA
+PJ096482	DRRRYW 	C42H62N16O10	950.4835	NA	PeJP	NA	NA
+PJ096483	STTLDKMR 	C38H70N12O14S	950.4855	NA	PeJP	NA	NA
+PJ096484	SSTLKEMR 	C38H70N12O14S	950.4856	NA	PeJP	NA	NA
+PJ096485	PTKKEYW 	C46H66N10O12	950.4862	NA	PeJP	NA	NA
+PJ096486	AALKMMMR 	C39H74N12O9S3	950.4864	NA	PeJP	NA	NA
+PJ096487	PTCRRRY 	C39H66N16O10S	950.4869	NA	PeJP	NA	NA
+PJ096488	TFRRWW 	C47H62N14O8	950.4875	NA	PeJP	NA	NA
+PJ096489	GPLHRWW 	C47H62N14O8	950.4876	NA	PeJP	NA	NA
+PJ096490	GSSSSSKRR 	C35H66N16O15	950.4894	NA	PeJP	NA	NA
+PJ096491	SSSLLKMW 	C43H70N10O12S	950.4896	NA	PeJP	NA	NA
+C11851	Zn-Bacterio-chlorophyll a	C55H74N4O6Zn	950.49	NA	KEGG	NA	NA
+C11852	Transferred to D02390	C55H74N4O6Zn	950.49	NA	KEGG	NA	NA
+PJ096492	PPLLYYW 	C51H66N8O10	950.4902	NA	PeJP	NA	NA
+PJ096493	TTMMRRR 	C36H70N16O10S2	950.4903	NA	PeJP	NA	NA
+PJ096494	GVMFRRW 	C44H66N14O8S	950.4909	NA	PeJP	NA	NA
+PJ096495	SSSSTLLKE 	C39H70N10O17	950.4921	NA	PeJP	NA	NA
+PJ096496	STLLQKMM 	C40H74N10O12S2	950.4929	NA	PeJP	NA	NA
+PJ096497	ATLKKEMM 	C40H74N10O12S2	950.493	NA	PeJP	NA	NA
+PJ096498	AKEERRY 	C40H66N14O13	950.4934	NA	PeJP	NA	NA
+PJ096499	GGGGGGGGLLLH 	C40H66N14O13	950.4935	NA	PeJP	NA	NA
+PJ096500	LLLEMFW 	C48H70N8O10S	950.4936	NA	PeJP	NA	NA
+PJ096501	CCKKKRW 	C41H70N14O8S2	950.4943	NA	PeJP	NA	NA
+PJ096502	AQHHFRR 	C41H62N18O9	950.4948	NA	PeJP	NA	NA
+PJ096503	ATLLLEEY 	C44H70N8O15	950.4961	NA	PeJP	NA	NA
+PJ096504	SSTTLMRR 	C37H70N14O13S	950.4968	NA	PeJP	NA	NA
+PJ096505	APLLLMMY 	C45H74N8O10S2	950.497	NA	PeJP	NA	NA
+PJ096506	GLKERYW 	C45H66N12O11	950.4974	NA	PeJP	NA	NA
+PJ096507	GGGGVKKYW 	C45H66N12O11	950.4975	NA	PeJP	NA	NA
+PJ096508	VKMMMRR 	C38H74N14O8S3	950.4977	NA	PeJP	NA	NA
+PJ096509	SKMHHRR 	C38H66N18O9S	950.4981	NA	PeJP	NA	NA
+PJ096510	SLLLLMMM 	C42H78N8O10S3	950.5003	NA	PeJP	NA	NA
+PJ096511	GSSKKKMW 	C42H70N12O11S	950.5008	NA	PeJP	NA	NA
+PJ096512	GVLKYWW 	C50H66N10O9	950.5015	NA	PeJP	NA	NA
+PJ096513	MFRRRW 	C43H66N16O7S	950.5022	NA	PeJP	NA	NA
+PJ096514	SSSSTTLLR 	C38H70N12O16	950.5033	NA	PeJP	NA	NA
+PJ096515	ATTLKMMR 	C39H74N12O11S2	950.5042	NA	PeJP	NA	NA
+PJ096516	SNQKRRY 	C39H66N16O12	950.5046	NA	PeJP	NA	NA
+PJ096517	ATERRRY 	C39H66N16O12	950.5047	NA	PeJP	NA	NA
+PJ096518	PVKKMYW 	C47H70N10O9S	950.5048	NA	PeJP	NA	NA
+PJ096519	TTTTTLKW 	C43H70N10O14	950.5073	NA	PeJP	NA	NA
+PJ096520	AAPPPLKEE 	C43H70N10O14	950.5074	NA	PeJP	NA	NA
+PJ096521	SSSCKKRR 	C36H70N16O12S	950.508	NA	PeJP	NA	NA
+PJ096522	GPLKKMMF 	C44H74N10O9S2	950.5082	NA	PeJP	NA	NA
+MJ098498	Furostane-2,3,22,26-tetrol, 22-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C46H78O20	950.508644	NA	MeJP	NA	NA
+PJ096523	GTLRRYW 	C44H66N14O10	950.5087	NA	PeJP	NA	NA
+PJ096524	TTTLKKEM 	C40H74N10O14S	950.5107	NA	PeJP	NA	NA
+PJ096525	SPPVLLYY 	C48H70N8O12	950.5114	NA	PeJP	NA	NA
+PJ096526	GLLKKMMM 	C41H78N10O9S3	950.5116	NA	PeJP	NA	NA
+PJ096527	PTKMRRY 	C41H70N14O10S	950.512	NA	PeJP	NA	NA
+PJ096528	GGVLMRRY 	C41H70N14O10S	950.5121	NA	PeJP	NA	NA
+PJ096529	LKRYWW 	C49H66N12O8	950.5127	NA	PeJP	NA	NA
+PJ096530	GSSSTTKKR 	C37H70N14O15	950.5145	NA	PeJP	NA	NA
+PJ096531	GLLLLEMY 	C45H74N8O12S	950.5147	NA	PeJP	NA	NA
+PJ096532	GTCKKKMR 	C38H74N14O10S2	950.5154	NA	PeJP	NA	NA
+PJ096533	PTEHRRR 	C38H66N18O11	950.5159	NA	PeJP	NA	NA
+PJ096534	ALKMFRW 	C46H70N12O8S	950.5161	NA	PeJP	NA	NA
+PJ096535	SSSTKKKW 	C42H70N12O13	950.5186	NA	PeJP	NA	NA
+PJ096536	CKKKKMW 	C43H74N12O8S2	950.5194	NA	PeJP	NA	NA
+PJ096537	SPLHRRW 	C43H66N16O9	950.5199	NA	PeJP	NA	NA
+PJ096538	TTTTLKMR 	C39H74N12O13S	950.5219	NA	PeJP	NA	NA
+PJ096539	VVKKEYW 	C47H70N10O11	950.5226	NA	PeJP	NA	NA
+PJ096540	GLMRRRY 	C40H70N16O9S	950.5233	NA	PeJP	NA	NA
+PJ096541	APTLKKMY 	C44H74N10O11S	950.526	NA	PeJP	NA	NA
+PJ096542	PLLLFYW 	C52H70N8O9	950.5266	NA	PeJP	NA	NA
+PJ096543	AQQHRRR 	C37H66N20O10	950.5271	NA	PeJP	NA	NA
+PJ096544	SSTTTTLLK 	C40H74N10O16	950.5285	NA	PeJP	NA	NA
+PJ096545	STLLKKMM 	C41H78N10O11S2	950.5293	NA	PeJP	NA	NA
+PJ096546	SLKERRY 	C41H70N14O12	950.5298	NA	PeJP	NA	NA
+PJ096547	LLLLMYW 	C49H74N8O9S	950.53	NA	PeJP	NA	NA
+PJ096548	AKHHFRR 	C42H66N18O8	950.5312	NA	PeJP	NA	NA
+PJ096549	STLLLLEY 	C45H74N8O14	950.5325	NA	PeJP	NA	NA
+PJ096550	SSSKKKMR 	C38H74N14O12S	950.5332	NA	PeJP	NA	NA
+PJ096551	ALLLLMMF 	C46H78N8O9S2	950.5334	NA	PeJP	NA	NA
+PJ096552	SVLKRYW 	C46H70N12O10	950.5338	NA	PeJP	NA	NA
+PJ096553	PVMHRRR 	C39H70N18O8S	950.5345	NA	PeJP	NA	NA
+PJ096554	LLQKMRY 	C43H74N12O10S	950.5372	NA	PeJP	NA	NA
+PJ096555	PVKKFFW 	C51H70N10O8	950.5379	NA	PeJP	NA	NA
+PJ096556	GNHRRRR 	C36H66N22O9	950.5384	NA	PeJP	NA	NA
+PJ096557	SSSSSLKKK 	C39H74N12O15	950.5397	NA	PeJP	NA	NA
+PJ096558	GTKKKKMM 	C40H78N12O10S2	950.5406	NA	PeJP	NA	NA
+PJ096559	STLRRRY 	C40H70N16O11	950.541	NA	PeJP	NA	NA
+PJ096560	GALLEHRR 	C40H70N16O11	950.5411	NA	PeJP	NA	NA
+PJ096561	VLKKMFW 	C48H74N10O8S	950.5412	NA	PeJP	NA	NA
+PJ096562	GTLLKKEY 	C44H74N10O13	950.5437	NA	PeJP	NA	NA
+PJ096563	VLLQHRW 	C45H70N14O9	950.5451	NA	PeJP	NA	NA
+PJ096564	GPLLLLYY 	C49H74N8O11	950.5477	NA	PeJP	NA	NA
+PJ096565	GLLLLEFF 	C49H74N8O11	950.5478	NA	PeJP	NA	NA
+PJ096566	VVKMRRY 	C42H74N14O9S	950.5484	NA	PeJP	NA	NA
+PJ096567	SVLLLLMY 	C46H78N8O11S	950.5511	NA	PeJP	NA	NA
+PJ096568	VVEHRRR 	C39H70N18O10	950.5523	NA	PeJP	NA	NA
+PJ096569	QKKKKEY 	C43H74N12O12	950.5549	NA	PeJP	NA	NA
+PJ096570	GTTLLKRY 	C43H74N12O12	950.555	NA	PeJP	NA	NA
+PJ096571	ALLHRRW 	C44H70N16O8	950.5563	NA	PeJP	NA	NA
+PJ096572	STTKKKKM 	C40H78N12O12S	950.5583	NA	PeJP	NA	NA
+PJ096573	TLLKKYW 	C48H74N10O10	950.559	NA	PeJP	NA	NA
+MJ098499	Actinoplanic acid B 	C51H82O16	950.560286	NA	MeJP	NA	NA
+PJ096574	GVLLKKMY 	C45H78N10O10S	950.5624	NA	PeJP	NA	NA
+PJ096575	LLLLFFW 	C53H74N8O8	950.563	NA	PeJP	NA	NA
+PJ096576	PPNRRRR 	C38H70N20O9	950.5635	NA	PeJP	NA	NA
+PJ096577	TQKKKRY 	C42H74N14O11	950.5662	NA	PeJP	NA	NA
+PJ096578	AKKKKYW 	C47H74N12O9	950.5702	NA	PeJP	NA	NA
+PJ096579	LLKKMRY 	C44H78N12O9S	950.5736	NA	PeJP	NA	NA
+PJ096580	LLKEHRR 	C41H74N16O10	950.5774	NA	PeJP	NA	NA
+PJ096581	SSLLLKKY 	C45H78N10O12	950.5801	NA	PeJP	NA	NA
+PJ096582	VLLKHRW 	C46H74N14O8	950.5814	NA	PeJP	NA	NA
+PJ096583	GLLLLLFY 	C50H78N8O10	950.5841	NA	PeJP	NA	NA
+PJ096584	TLLHRRR 	C40H74N18O9	950.5887	NA	PeJP	NA	NA
+PJ096585	KKKKKEY 	C44H78N12O11	950.5913	NA	PeJP	NA	NA
+PJ096586	PPVLLKER 	C44H78N12O11	950.5914	NA	PeJP	NA	NA
+PJ096587	PPVVLLKW 	C49H78N10O9	950.5954	NA	PeJP	NA	NA
+MJ098500	Didemnaketal B 	C52H86O15	950.596672	NA	MeJP	NA	NA
+PJ096588	VLLLLLMH 	C46H82N10O9S	950.5987	NA	PeJP	NA	NA
+PJ096589	AKKHRRR 	C39H74N20O8	950.5999	NA	PeJP	NA	NA
+PJ096590	TKKKKRY 	C43H78N14O10	950.6026	NA	PeJP	NA	NA
+PJ096591	LLKKFFR 	C48H78N12O8	950.6066	NA	PeJP	NA	NA
+PJ096592	GPPLKKRR 	C42H78N16O9	950.6138	NA	PeJP	NA	NA
+PJ096593	GPPTLLLLK 	C46H82N10O11	950.6165	NA	PeJP	NA	NA
+PJ096594	VKKKHRR 	C41H78N18O8	950.625	NA	PeJP	NA	NA
+PJ096595	PVLLLLQR 	C45H82N12O10	950.6277	NA	PeJP	NA	NA
+PJ096596	APLLLLRR 	C44H82N14O9	950.639	NA	PeJP	NA	NA
+PJ096597	AAPLLLLLK 	C47H86N10O10	950.6529	NA	PeJP	NA	NA
+PJ096598	PVLLLLKR 	C46H86N12O9	950.6641	NA	PeJP	NA	NA
+HMDB05478	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C63H98O6	950.736328	NA	HMDB2010	NA	NA
+HMDB10515	TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C63H98O6	950.736328	NA	HMDB2010	NA	NA
+HMDB10535	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H98O6	950.736328	NA	HMDB2010	NA	NA
+HMDB10537	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C63H98O6	950.736328	NA	HMDB2010	NA	NA
+HMDB05478	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C63H98O6	950.73633	http://www.hmdb.ca/metabolites/HMDB05478	HMDB	NA	NA
+HMDB05478	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C63H98O6	950.73633	HMDB05478	PFEM_hmdb_metabocards_official	NA	NA
+3904	Dm-AMP2	EVCEKASKTWSGNCGNTTGHC	950.9339	MH2+	Inhouse_peptide	NA	peptide
+PJ096599	PCCCCCCCD 	C30H49N9O12S7	951.1546	NA	PeJP	NA	NA
+PJ096600	GCCCCCDDM 	C30H49N9O14S6	951.1724	NA	PeJP	NA	NA
+PJ096601	SCCCCCCNN 	C29H49N11O13S6	951.1836	NA	PeJP	NA	NA
+PJ096602	CCCCCCEW 	C34H49N9O11S6	951.1876	NA	PeJP	NA	NA
+PJ096603	SSCCCCCDE 	C30H49N9O16S5	951.1901	NA	PeJP	NA	NA
+PJ096604	SPCCCCCCM 	C31H53N9O11S7	951.191	NA	PeJP	NA	NA
+PJ096605	GSCCCCDMM 	C31H53N9O13S6	951.2087	NA	PeJP	NA	NA
+PJ096606	ASCCCCCEM 	C31H53N9O13S6	951.2088	NA	PeJP	NA	NA
+PJ096607	CCCCNDEY 	C34H49N9O15S4	951.2231	NA	PeJP	NA	NA
+PJ096608	TCCCCCMW 	C35H53N9O10S6	951.224	NA	PeJP	NA	NA
+PJ096609	SSSCCCCEM 	C31H53N9O15S5	951.2265	NA	PeJP	NA	NA
+PJ096610	CCCCQMMM 	C32H57N9O10S7	951.2274	NA	PeJP	NA	NA
+PJ096611	GSCCCCCHH 	C32H49N13O11S5	951.2279	NA	PeJP	NA	NA
+PJ096612	GPCCCCDDH 	C33H49N11O14S4	951.2344	NA	PeJP	NA	NA
+PJ096613	GCCCCDYW 	C38H49N9O12S4	951.2384	NA	PeJP	NA	NA
+PJ096614	CCCCCMMR 	C31H57N11O9S7	951.2386	NA	PeJP	NA	NA
+C16354	Albireodelphin	C42H47O25	951.2406	NA	KEGG	NA	NA
+FL7AAGGL0039	Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside)	C42H47O25	951.24064	198645-07-7	knapsack	NA	NA
+PJ096615	GSSCCCDDY 	C34H49N9O17S3	951.2409	NA	PeJP	NA	NA
+PJ096616	GPTCCCCCY 	C35H53N9O12S5	951.2418	NA	PeJP	NA	NA
+PJ096617	GSSCCCMMM 	C32H57N9O12S6	951.2451	NA	PeJP	NA	NA
+PJ096618	CCNDDDMH 	C33H49N11O16S3	951.2521	NA	PeJP	NA	NA
+PJ096619	CCCCCDFR 	C34H53N11O11S5	951.253	NA	PeJP	NA	NA
+PJ096620	GCCCCMFW 	C39H53N9O9S5	951.257	NA	PeJP	NA	NA
+PJ096621	NDDDDDDE 	C33H45N9O24	951.2578	NA	PeJP	NA	NA
+PJ096622	SCCCNEMY 	C35H53N9O14S4	951.2595	NA	PeJP	NA	NA
+PJ096623	SSSTCCCMM 	C32H57N9O14S5	951.2629	NA	PeJP	NA	NA
+PJ096624	GSCCCNNDH 	C32H49N13O15S3	951.2634	NA	PeJP	NA	NA
+PJ096625	CCCCKMMM 	C33H61N9O9S7	951.2638	NA	PeJP	NA	NA
+PJ096626	GCCCDEHW 	C37H49N11O13S3	951.2674	NA	PeJP	NA	NA
+PJ096627	GSSCCDDEH 	C33H49N11O18S2	951.2699	NA	PeJP	NA	NA
+PJ096628	SCCCCDRY 	C34H53N11O13S4	951.2708	NA	PeJP	NA	NA
+PJ096629	GDDDDDDW 	C37H45N9O21	951.2731	NA	PeJP	NA	NA
+PJ096630	GCCNDDYY 	C38H49N9O16S2	951.2739	NA	PeJP	NA	NA
+PJ096631	GSCCCMYW 	C39H53N9O11S4	951.2748	NA	PeJP	NA	NA
+PJ096632	GSPCDDDDE 	C34H49N9O21S	951.2764	NA	PeJP	NA	NA
+PJ096633	GSSSCCDMY 	C35H53N9O16S3	951.2773	NA	PeJP	NA	NA
+PJ096634	GCCNMMMY 	C36H57N9O11S5	951.2781	NA	PeJP	NA	NA
+PJ096635	GGGCCMMMY 	C36H57N9O11S5	951.2782	NA	PeJP	NA	NA
+PJ096636	CCCNNQMH 	C33H53N13O12S4	951.282	NA	PeJP	NA	NA
+PJ096637	CCCDHWW 	C41H49N11O10S3	951.2826	NA	PeJP	NA	NA
+PJ096638	SSCCDDHW 	C37H49N11O15S2	951.2851	NA	PeJP	NA	NA
+PJ096639	PTCCCCHW 	C38H53N11O10S4	951.286	NA	PeJP	NA	NA
+PJ096640	SSSSCDDDH 	C33H49N11O20S	951.2876	NA	PeJP	NA	NA
+PJ096641	GGNNDDDDM 	C33H49N11O20S	951.2877	NA	PeJP	NA	NA
+PJ096642	SCNDDMMH 	C34H53N11O15S3	951.2885	NA	PeJP	NA	NA
+PJ096643	ACCCCMRY 	C35H57N11O10S5	951.2894	NA	PeJP	NA	NA
+PJ096644	SPCDDDDW 	C38H49N9O18S	951.2917	NA	PeJP	NA	NA
+PJ096645	SSTCCCYW 	C39H53N9O13S3	951.2925	NA	PeJP	NA	NA
+PJ096646	CCCCNNHR 	C32H53N15O11S4	951.2932	NA	PeJP	NA	NA
+PJ096647	SNDDDEEE 	C34H49N9O23	951.2942	NA	PeJP	NA	NA
+PJ096648	SSSSSCCEY 	C35H53N9O18S2	951.295	NA	PeJP	NA	NA
+PJ096649	GGPDDDDMM 	C35H53N9O18S2	951.2951	NA	PeJP	NA	NA
+PJ096650	SSCCQMMY 	C36H57N9O13S4	951.2959	NA	PeJP	NA	NA
+PJ096651	GSCNNNNDD 	C32H49N13O19S	951.2989	NA	PeJP	NA	NA
+PJ096652	DDDMMYY 	C40H53N7O16S2	951.2991	NA	PeJP	NA	NA
+PJ096653	GSSCCNNMH 	C33H53N13O14S3	951.2997	NA	PeJP	NA	NA
+PJ096654	SCCCDEHR 	C33H53N13O14S3	951.2998	NA	PeJP	NA	NA
+PJ096655	PCCCCMHR 	C34H57N13O9S5	951.3006	NA	PeJP	NA	NA
+PJ096656	GCNNDDEW 	C37H49N11O17S	951.3029	NA	PeJP	NA	NA
+PJ096657	DMMMMMY 	C38H61N7O11S5	951.3033	NA	PeJP	NA	NA
+PJ096658	GSCCEMHW 	C38H53N11O12S3	951.3038	NA	PeJP	NA	NA
+PJ096659	SDDDDDDR 	C33H49N11O22	951.3054	NA	PeJP	NA	NA
+PJ096660	PCCDDDER 	C34H53N11O17S2	951.3063	NA	PeJP	NA	NA
+PJ096661	SSCCCMRY 	C35H57N11O12S4	951.3071	NA	PeJP	NA	NA
+PJ096662	GGGCEMMMH 	C35H57N11O12S4	951.3072	NA	PeJP	NA	NA
+PJ096663	SCCNDHHH 	C35H49N15O13S2	951.3076	NA	PeJP	NA	NA
+PJ096664	CCCQFYW 	C43H53N9O10S3	951.3078	NA	PeJP	NA	NA
+PJ096665	GSDDDEEW 	C38H49N9O20	951.3094	NA	PeJP	NA	NA
+PJ096666	GPCDDEMW 	C39H53N9O15S2	951.3103	NA	PeJP	NA	NA
+PJ096667	GCCNMMFF 	C40H57N9O10S4	951.3112	NA	PeJP	NA	NA
+PJ096668	GNDEEEEM 	C35H53N9O20S	951.3128	NA	PeJP	NA	NA
+PJ096669	DDDDFYY 	C43H49N7O18	951.3134	NA	PeJP	NA	NA
+PJ096670	GSSSSCMMY 	C36H57N9O15S3	951.3137	NA	PeJP	NA	NA
+PJ096671	PCNDDDHH 	C36H49N13O16S	951.3141	NA	PeJP	NA	NA
+PJ096672	GGPCDDDHH 	C36H49N13O16S	951.3142	NA	PeJP	NA	NA
+PJ096673	ACCCKMMY 	C37H61N9O10S5	951.3145	NA	PeJP	NA	NA
+PJ096674	SSSSCCNQH 	C33H53N13O16S2	951.3175	NA	PeJP	NA	NA
+PJ096675	DDMMMFY 	C41H57N7O13S3	951.3177	NA	PeJP	NA	NA
+PJ096676	CNNDDWW 	C41H49N11O14S	951.3182	NA	PeJP	NA	NA
+PJ096677	GCCDMMHR 	C34H57N13O11S4	951.3184	NA	PeJP	NA	NA
+PJ096678	SCCMHWW 	C42H53N11O9S3	951.319	NA	PeJP	NA	NA
+PJ096679	SSNNDDDW 	C37H49N11O19	951.3207	NA	PeJP	NA	NA
+PJ096680	SSSCDMHW 	C38H53N11O14S2	951.3215	NA	PeJP	NA	NA
+PJ096681	MMMMMMF 	C39H65N7O8S6	951.3219	NA	PeJP	NA	NA
+PJ096682	CNMMMHW 	C39H57N11O9S4	951.3224	NA	PeJP	NA	NA
+PJ096683	GDDDDEMR 	C34H53N11O19S	951.324	NA	PeJP	NA	NA
+PJ096684	GGGGGGSDEEM 	C34H53N11O19S	951.3241	NA	PeJP	NA	NA
+PJ096685	SDDDEWW 	C42H49N9O17	951.3247	NA	PeJP	NA	NA
+PJ096686	SSNDMMMH 	C35H57N11O14S3	951.3249	NA	PeJP	NA	NA
+PJ096687	SCCQYYW 	C43H53N9O12S2	951.3255	NA	PeJP	NA	NA
+PJ096688	PCDDMWW 	C43H53N9O12S2	951.3256	NA	PeJP	NA	NA
+PJ096689	PCCCKMMH 	C36H61N11O9S5	951.3258	NA	PeJP	NA	NA
+PJ096690	GCCQMHHH 	C36H53N15O10S3	951.3262	NA	PeJP	NA	NA
+PJ096691	GGACCMHHH 	C36H53N15O10S3	951.3263	NA	PeJP	NA	NA
+PJ096692	NDEEEMW 	C39H53N9O17S	951.328	NA	PeJP	NA	NA
+PJ096693	GGDEEEMW 	C39H53N9O17S	951.3281	NA	PeJP	NA	NA
+PJ096694	CCNNNNDR 	C32H53N15O15S2	951.3287	NA	PeJP	NA	NA
+PJ096695	GGGGCCNNDR 	C32H53N15O15S2	951.3288	NA	PeJP	NA	NA
+PJ096696	SPPCCEMW 	C40H57N9O12S3	951.3289	NA	PeJP	NA	NA
+PJ096697	SSNEEEEE 	C35H53N9O22	951.3305	NA	PeJP	NA	NA
+PJ096698	GGSSEEEEE 	C35H53N9O22	951.3306	NA	PeJP	NA	NA
+PJ096699	SSSSSTCMY 	C36H57N9O17S2	951.3314	NA	PeJP	NA	NA
+PJ096700	GNDDEEHH 	C36H49N13O18	951.3319	NA	PeJP	NA	NA
+PJ096701	PCDEYYY 	C44H53N7O15S	951.3321	NA	PeJP	NA	NA
+PJ096702	SSCCKMMY 	C37H61N9O12S4	951.3323	NA	PeJP	NA	NA
+PJ096703	GCNNNNMW 	C37H53N13O13S2	951.3328	NA	PeJP	NA	NA
+PJ096704	ASSCNNNNE 	C33H53N13O18S	951.3352	NA	PeJP	NA	NA
+PJ096705	SCNNDDER 	C33H53N13O18S	951.3353	NA	PeJP	NA	NA
+PJ096706	SEEMMYY 	C41H57N7O15S2	951.3354	NA	PeJP	NA	NA
+PJ096707	SSCCEMHR 	C34H57N13O13S3	951.3361	NA	PeJP	NA	NA
+PJ096708	GGGGPCCDMR 	C34H57N13O13S3	951.3362	NA	PeJP	NA	NA
+PJ096709	DMMMMFF 	C42H61N7O10S4	951.3363	NA	PeJP	NA	NA
+PJ096710	GSPCCNWW 	C42H53N11O11S2	951.3368	NA	PeJP	NA	NA
+PJ096711	GCCCHHHR 	C35H53N17O9S3	951.3375	NA	PeJP	NA	NA
+PJ096712	DDDDMRW 	C38H53N11O16S	951.3393	NA	PeJP	NA	NA
+PJ096713	CCNMRYY 	C39H57N11O11S3	951.3401	NA	PeJP	NA	NA
+PJ096714	GSTCMMHW 	C39H57N11O11S3	951.3402	NA	PeJP	NA	NA
+PJ096715	SSDDDEER 	C34H53N11O21	951.3418	NA	PeJP	NA	NA
+PJ096716	SSSSCCLEH 	C35H57N11O16S2	951.3426	NA	PeJP	NA	NA
+PJ096717	SPCDDEMR 	C35H57N11O16S2	951.3427	NA	PeJP	NA	NA
+PJ096718	SNNNDDHH 	C35H49N15O17	951.3431	NA	PeJP	NA	NA
+PJ096719	GGGGGGSDDHH 	C35H49N15O17	951.3432	NA	PeJP	NA	NA
+PJ096720	GDEEMWW 	C43H53N9O14S	951.3433	NA	PeJP	NA	NA
+PJ096721	PPCCDMMR 	C36H61N11O11S4	951.3435	NA	PeJP	NA	NA
+PJ096722	SSCNMHHH 	C36H53N15O12S2	951.344	NA	PeJP	NA	NA
+PJ096723	CCCKFYW 	C44H57N9O9S3	951.3442	NA	PeJP	NA	NA
+PJ096724	GSSEEEEW 	C39H53N9O19	951.3458	NA	PeJP	NA	NA
+PJ096725	GSPDEMMW 	C40H57N9O14S2	951.3467	NA	PeJP	NA	NA
+PJ096726	NDDEHHW 	C40H49N13O15	951.3471	NA	PeJP	NA	NA
+PJ096727	GGDDEHHW 	C40H49N13O15	951.3472	NA	PeJP	NA	NA
+PJ096728	GPPCMMMW 	C41H61N9O9S4	951.3476	NA	PeJP	NA	NA
+PJ096729	GTQEEEEM 	C36H57N9O19S	951.3492	NA	PeJP	NA	NA
+PJ096730	GEEEYYY 	C44H53N7O17	951.3498	NA	PeJP	NA	NA
+PJ096731	GPPTTCDMM 	C37H61N9O14S3	951.35	NA	PeJP	NA	NA
+PJ096732	GPQEEMMM 	C37H61N9O14S3	951.3501	NA	PeJP	NA	NA
+PJ096733	GSCNDDRW 	C37H53N13O15S	951.3505	NA	PeJP	NA	NA
+PJ096734	GGGGGGGGGGPCY 	C37H53N13O15S	951.3506	NA	PeJP	NA	NA
+PJ096735	PCEMFYY 	C45H57N7O12S2	951.3507	NA	PeJP	NA	NA
+PJ096736	GPCCCQRW 	C38H57N13O10S3	951.3514	NA	PeJP	NA	NA
+PJ096737	ACCHFWW 	C46H53N11O8S2	951.352	NA	PeJP	NA	NA
+PJ096738	GSSSNDDDR 	C33H53N13O20	951.353	NA	PeJP	NA	NA
+PJ096739	GNNDDMMR 	C34H57N13O15S2	951.3539	NA	PeJP	NA	NA
+PJ096740	VDMMMYY 	C42H61N7O12S3	951.3541	NA	PeJP	NA	NA
+PJ096741	SNNDMWW 	C42H53N11O13S	951.3545	NA	PeJP	NA	NA
+PJ096742	GGGGSDMWW 	C42H53N11O13S	951.3546	NA	PeJP	NA	NA
+PJ096743	GSCMMMHR 	C35H61N13O10S4	951.3548	NA	PeJP	NA	NA
+PJ096744	CMMHHFF 	C43H57N11O8S3	951.3554	NA	PeJP	NA	NA
+PJ096745	SSSNNEEW 	C38H53N11O18	951.357	NA	PeJP	NA	NA
+PJ096746	GGGGSSSEEW 	C38H53N11O18	951.3571	NA	PeJP	NA	NA
+PJ096747	SSSSMMHW 	C39H57N11O13S2	951.3579	NA	PeJP	NA	NA
+PJ096748	DEMWWW 	C47H53N9O11S	951.3586	NA	PeJP	NA	NA
+PJ096749	GSDEEEMR 	C35H57N11O18S	951.3604	NA	PeJP	NA	NA
+PJ096750	SNNEYYY 	C43H53N9O16	951.361	NA	PeJP	NA	NA
+PJ096751	SSEEEWW 	C43H53N9O16	951.3611	NA	PeJP	NA	NA
+PJ096752	GPDDMMMR 	C36H61N11O13S3	951.3613	NA	PeJP	NA	NA
+PJ096753	GSSSTCHHH 	C36H53N15O14S	951.3618	NA	PeJP	NA	NA
+PJ096754	SPDMMWW 	C44H57N9O11S2	951.3619	NA	PeJP	NA	NA
+PJ096755	GDDHHWW 	C44H49N13O12	951.3624	NA	PeJP	NA	NA
+PJ096756	PPCCCHHR 	C37H57N15O9S3	951.3626	NA	PeJP	NA	NA
+PJ096757	TQEEEMW 	C40H57N9O16S	951.3644	NA	PeJP	NA	NA
+PJ096758	GGGPEEEMF 	C40H57N9O16S	951.3645	NA	PeJP	NA	NA
+PJ096759	EEYYYW 	C48H53N7O14	951.3651	NA	PeJP	NA	NA
+PJ096760	GGGGGGGGSCMR 	C33H57N15O14S2	951.3652	NA	PeJP	NA	NA
+PJ096761	PQEMMMW 	C41H61N9O11S3	951.3653	NA	PeJP	NA	NA
+PJ096762	GSPCEHHW 	C41H53N13O12S	951.3658	NA	PeJP	NA	NA
+PJ096763	SSDKEEEE 	C36H57N9O21	951.3669	NA	PeJP	NA	NA
+PJ096764	GVQEEEMM 	C37H61N9O16S2	951.3678	NA	PeJP	NA	NA
+PJ096765	GSSSSNNNW 	C37H53N13O17	951.3683	NA	PeJP	NA	NA
+PJ096766	SPEMYYY 	C45H57N7O14S	951.3684	NA	PeJP	NA	NA
+PJ096767	AEEMFYY 	C45H57N7O14S	951.3685	NA	PeJP	NA	NA
+PJ096768	SPPQMMMM 	C38H65N9O11S4	951.3687	NA	PeJP	NA	NA
+PJ096769	CNNEMRW 	C38H57N13O12S2	951.3691	NA	PeJP	NA	NA
+PJ096770	GGCNEMRW 	C38H57N13O12S2	951.3692	NA	PeJP	NA	NA
+PJ096771	GSCQWWW 	C46H53N11O10S	951.3698	NA	PeJP	NA	NA
+PJ096772	SSNNDEMR 	C34H57N13O17S	951.3716	NA	PeJP	NA	NA
+PJ096773	GGSSNDEMR 	C34H57N13O17S	951.3717	NA	PeJP	NA	NA
+PJ096774	GSSSNEWW 	C42H53N11O15	951.3723	NA	PeJP	NA	NA
+PJ096775	SSTCMMHR 	C35H61N13O12S3	951.3725	NA	PeJP	NA	NA
+PJ096776	VMMMMFY 	C43H65N7O9S4	951.3727	NA	PeJP	NA	NA
+PJ096777	GCNNDHHR 	C35H53N17O13S	951.373	NA	PeJP	NA	NA
+PJ096778	GNQMMWW 	C43H57N11O10S2	951.3732	NA	PeJP	NA	NA
+PJ096779	SDEEMRW 	C39H57N11O15S	951.3757	NA	PeJP	NA	NA
+PJ096780	GPDEYWW 	C47H53N9O13	951.3763	NA	PeJP	NA	NA
+PJ096781	PCEMMRW 	C40H61N11O10S3	951.3765	NA	PeJP	NA	NA
+PJ096782	GGAPCCKMW 	C40H61N11O10S3	951.3766	NA	PeJP	NA	NA
+PJ096783	NNNMHHW 	C40H53N15O11S	951.377	NA	PeJP	NA	NA
+PJ096784	SSSEEEER 	C35H57N11O20	951.3782	NA	PeJP	NA	NA
+PJ096785	QEEEMMR 	C36H61N11O15S2	951.379	NA	PeJP	NA	NA
+PJ096786	GAEEEMMR 	C36H61N11O15S2	951.3791	NA	PeJP	NA	NA
+PJ096787	GSDDEHHR 	C36H53N15O16	951.3795	NA	PeJP	NA	NA
+PJ096788	GGGGGGGGGGPEH 	C36H53N15O16	951.3796	NA	PeJP	NA	NA
+PJ096789	ATEEMWW 	C44H57N9O13S	951.3797	NA	PeJP	NA	NA
+PJ096790	SPPCMMMR 	C37H65N11O10S4	951.3799	NA	PeJP	NA	NA
+PJ096791	CCNDRRW 	C37H57N15O11S2	951.3804	NA	PeJP	NA	NA
+PJ096792	APMMMWW 	C45H61N9O8S3	951.3806	NA	PeJP	NA	NA
+PJ096793	SPCHHWW 	C45H53N13O9S	951.381	NA	PeJP	NA	NA
+PJ096794	GTTTEEEW 	C40H57N9O18	951.3822	NA	PeJP	NA	NA
+PJ096795	SSCNDDRR 	C33H57N15O16S	951.3829	NA	PeJP	NA	NA
+PJ096796	VQEEMMW 	C41H61N9O13S2	951.3831	NA	PeJP	NA	NA
+PJ096797	NNNNQYW 	C41H53N13O14	951.3835	NA	PeJP	NA	NA
+PJ096798	GGGGGGGGQYW 	C41H53N13O14	951.3836	NA	PeJP	NA	NA
+PJ096799	PPCFYYY 	C49H57N7O11S	951.3837	NA	PeJP	NA	NA
+PJ096800	SPCCCQRR 	C34H61N15O11S3	951.3838	NA	PeJP	NA	NA
+PJ096801	GCNMRWW 	C42H57N13O9S2	951.3844	NA	PeJP	NA	NA
+PJ096802	GTKEEEEM 	C37H61N9O18S	951.3856	NA	PeJP	NA	NA
+PJ096803	SVEEYYY 	C45H57N7O16	951.3862	NA	PeJP	NA	NA
+PJ096804	GPKEEMMM 	C38H65N9O13S3	951.3864	NA	PeJP	NA	NA
+PJ096805	GSSNDMRW 	C38H57N13O14S	951.3869	NA	PeJP	NA	NA
+PJ096806	PCLMYYY 	C46H61N7O11S2	951.3871	NA	PeJP	NA	NA
+PJ096807	SSSNWWW 	C46H53N11O12	951.3875	NA	PeJP	NA	NA
+PJ096808	GGSSSWWW 	C46H53N11O12	951.3876	NA	PeJP	NA	NA
+PJ096809	GPCCCKRW 	C39H61N13O9S3	951.3878	NA	PeJP	NA	NA
+PJ096810	GPCQHHHH 	C39H53N17O10S	951.3883	NA	PeJP	NA	NA
+PJ096811	GSSSSNEER 	C34H57N13O19	951.3894	NA	PeJP	NA	NA
+PJ096812	DDEMMRR 	C35H61N13O14S2	951.3903	NA	PeJP	NA	NA
+PJ096813	TLMMMYY 	C43H65N7O11S3	951.3904	NA	PeJP	NA	NA
+PJ096814	SSQQMWW 	C43H57N11O12S	951.3909	NA	PeJP	NA	NA
+PJ096815	GGGGGGPPCFF 	C43H57N11O12S	951.391	NA	PeJP	NA	NA
+PJ096816	CCCCKKKH 	C36H65N13O9S4	951.3912	NA	PeJP	NA	NA
+PJ096817	PDYWWW 	C51H53N9O10	951.3916	NA	PeJP	NA	NA
+PJ096818	SSSNDKEW 	C39H57N11O17	951.3934	NA	PeJP	NA	NA
+PJ096819	GGGGGGGLEEY 	C39H57N11O17	951.3935	NA	PeJP	NA	NA
+PJ096820	AEEMMRW 	C40H61N11O12S2	951.3943	NA	PeJP	NA	NA
+PJ096821	SDDHHRW 	C40H53N15O13	951.3948	NA	PeJP	NA	NA
+PJ096822	PPTCYWW 	C48H57N9O10S	951.3949	NA	PeJP	NA	NA
+PJ096823	GPEMFWW 	C48H57N9O10S	951.395	NA	PeJP	NA	NA
+PJ096824	GTTEEEMR 	C36H61N11O17S	951.3968	NA	PeJP	NA	NA
+PJ096825	TTTEEWW 	C44H57N9O15	951.3974	NA	PeJP	NA	NA
+PJ096826	GAPTEEYW 	C44H57N9O15	951.3975	NA	PeJP	NA	NA
+PJ096827	GPTEMMMR 	C37H65N11O12S3	951.3977	NA	PeJP	NA	NA
+PJ096828	GCNNNQFR 	C37H57N15O13S	951.3981	NA	PeJP	NA	NA
+PJ096829	GGGGGCNQFR 	C37H57N15O13S	951.3982	NA	PeJP	NA	NA
+PJ096830	GLEMMWW 	C45H61N9O10S2	951.3983	NA	PeJP	NA	NA
+PJ096831	GTEHHWW 	C45H53N13O11	951.3988	NA	PeJP	NA	NA
+PJ096832	CCMHFRR 	C38H61N15O8S3	951.399	NA	PeJP	NA	NA
+PJ096833	SSSSSNNNR 	C33H57N15O18	951.4006	NA	PeJP	NA	NA
+PJ096834	GGGGGGSSSSSR 	C33H57N15O18	951.4007	NA	PeJP	NA	NA
+PJ096835	TKEEEMW 	C41H61N9O15S	951.4008	NA	PeJP	NA	NA
+PJ096836	SPPYYYY 	C49H57N7O13	951.4015	NA	PeJP	NA	NA
+PJ096837	PKEMMMW 	C42H65N9O10S3	951.4017	NA	PeJP	NA	NA
+PJ096838	SSCQRWW 	C42H57N13O11S	951.4021	NA	PeJP	NA	NA
+PJ096839	GGSTCRWW 	C42H57N13O11S	951.4022	NA	PeJP	NA	NA
+PJ096840	NNFWWW 	C50H53N11O9	951.4028	NA	PeJP	NA	NA
+PJ096841	STTKEEEE 	C37H61N9O20	951.4033	NA	PeJP	NA	NA
+PJ096842	GVKEEEMM 	C38H65N9O15S2	951.4042	NA	PeJP	NA	NA
+PJ096843	GSNQQQQY 	C38H57N13O16	951.4046	NA	PeJP	NA	NA
+PJ096844	SSSSNERW 	C38H57N13O16	951.4047	NA	PeJP	NA	NA
+PJ096845	ALEMYYY 	C46H61N7O13S	951.4048	NA	PeJP	NA	NA
+PJ096846	SPPKMMMM 	C39H69N9O10S4	951.4051	NA	PeJP	NA	NA
+PJ096847	SNQMMRW 	C39H61N13O11S2	951.4055	NA	PeJP	NA	NA
+PJ096848	GGGGGCCKKW 	C39H61N13O11S2	951.4056	NA	PeJP	NA	NA
+PJ096849	VMMMFFF 	C47H65N7O8S3	951.4057	NA	PeJP	NA	NA
+PJ096850	QQEHHHH 	C39H53N17O12	951.406	NA	PeJP	NA	NA
+PJ096851	GSCKWWW 	C47H57N11O9S	951.4062	NA	PeJP	NA	NA
+PJ096852	SSSQQEMR 	C35H61N13O16S	951.408	NA	PeJP	NA	NA
+PJ096853	GGGGGGGSSTKM 	C35H61N13O16S	951.4081	NA	PeJP	NA	NA
+PJ096854	GSSSDKWW 	C43H57N11O14	951.4087	NA	PeJP	NA	NA
+PJ096855	QQQMMMR 	C36H65N13O11S3	951.4089	NA	PeJP	NA	NA
+PJ096856	CDEHHRR 	C36H57N17O12S	951.4094	NA	PeJP	NA	NA
+PJ096857	ACQKMWW 	C44H61N11O9S2	951.4095	NA	PeJP	NA	NA
+PJ096858	GNKMMWW 	C44H61N11O9S2	951.4096	NA	PeJP	NA	NA
+PJ096859	NNHHHFF 	C44H53N15O10	951.41	NA	PeJP	NA	NA
+PJ096860	PMFWWW 	C52H57N9O7S	951.4102	NA	PeJP	NA	NA
+PJ096861	GTTTQQMW 	C40H61N11O14S	951.412	NA	PeJP	NA	NA
+PJ096862	TTEEMRW 	C40H61N11O14S	951.4121	NA	PeJP	NA	NA
+PJ096863	APTEYWW 	C48H57N9O12	951.4127	NA	PeJP	NA	NA
+PJ096864	GSCCDRRR 	C33H61N17O12S2	951.4128	NA	PeJP	NA	NA
+PJ096865	PTMMMRW 	C41H65N11O9S3	951.4129	NA	PeJP	NA	NA
+PJ096866	GEMHHRW 	C41H57N15O10S	951.4134	NA	PeJP	NA	NA
+PJ096867	LMMWWW 	C49H61N9O7S2	951.4136	NA	PeJP	NA	NA
+PJ096868	THHWWW 	C49H53N13O8	951.414	NA	PeJP	NA	NA
+PJ096869	ASSSSQKEE 	C36H61N11O19	951.4145	NA	PeJP	NA	NA
+PJ096870	STTTEEER 	C36H61N11O19	951.4146	NA	PeJP	NA	NA
+PJ096871	KEEEMMR 	C37H65N11O14S2	951.4154	NA	PeJP	NA	NA
+PJ096872	NNDDRRY 	C37H57N15O15	951.4159	NA	PeJP	NA	NA
+PJ096873	STLEMWW 	C45H61N9O12S	951.4161	NA	PeJP	NA	NA
+PJ096874	GPVMMMMR 	C38H69N11O9S4	951.4163	NA	PeJP	NA	NA
+PJ096875	SCNMRRW 	C38H61N15O10S2	951.4168	NA	PeJP	NA	NA
+PJ096876	NDHHHHR 	C38H53N19O11	951.4172	NA	PeJP	NA	NA
+PJ096877	GGDHHHHR 	C38H53N19O11	951.4173	NA	PeJP	NA	NA
+PJ096878	GVMHHWW 	C46H57N13O8S	951.4174	NA	PeJP	NA	NA
+PJ096879	SSTTLEEW 	C41H61N9O17	951.4186	NA	PeJP	NA	NA
+PJ096880	SSSNDMRR 	C34H61N15O15S	951.4193	NA	PeJP	NA	NA
+PJ096881	VKEEMMW 	C42H65N9O12S2	951.4194	NA	PeJP	NA	NA
+PJ096882	AATLEMMW 	C42H65N9O12S2	951.4195	NA	PeJP	NA	NA
+PJ096883	GSSSSRWW 	C42H57N13O13	951.4199	NA	PeJP	NA	NA
+PJ096884	GGGGGGGGPPPW 	C42H57N13O13	951.42	NA	PeJP	NA	NA
+PJ096885	PCLFFYY 	C50H61N7O10S	951.4201	NA	PeJP	NA	NA
+PJ096886	GGGGMMMRR 	C35H65N15O10S3	951.4202	NA	PeJP	NA	NA
+PJ096887	ACCKRWW 	C43H61N13O8S2	951.4208	NA	PeJP	NA	NA
+PJ096888	AQHHHHW 	C43H53N17O9	951.4213	NA	PeJP	NA	NA
+PJ096889	TTTLQEEM 	C38H65N9O17S	951.4219	NA	PeJP	NA	NA
+PJ096890	SSLKEEEM 	C38H65N9O17S	951.422	NA	PeJP	NA	NA
+PJ096891	TTLEYYY 	C46H61N7O15	951.4226	NA	PeJP	NA	NA
+PJ096892	SPVKEMMM 	C39H69N9O12S3	951.4228	NA	PeJP	NA	NA
+PJ096893	GSSTQMRW 	C39H61N13O13S	951.4233	NA	PeJP	NA	NA
+PJ096894	VVMMFYY 	C47H65N7O10S2	951.4235	NA	PeJP	NA	NA
+PJ096895	AAQQYWW 	C47H57N11O11	951.4239	NA	PeJP	NA	NA
+PJ096896	GGGGGLYWW 	C47H57N11O11	951.424	NA	PeJP	NA	NA
+PJ096897	CKMMHFR 	C40H65N13O8S3	951.4242	NA	PeJP	NA	NA
+PJ096898	GPCKHHHH 	C40H57N17O9S	951.4246	NA	PeJP	NA	NA
+PJ096899	GSSSSDKER 	C35H61N13O18	951.4258	NA	PeJP	NA	NA
+PJ096900	TEEMMRR 	C36H65N13O13S2	951.4267	NA	PeJP	NA	NA
+PJ096901	SSSNQHHR 	C36H57N17O14	951.4271	NA	PeJP	NA	NA
+PJ096902	GGGGGGSPNHR 	C36H57N17O14	951.4272	NA	PeJP	NA	NA
+PJ096903	SSQKMWW 	C44H61N11O11S	951.4273	NA	PeJP	NA	NA
+PJ096904	PMMMMRR 	C37H69N13O8S4	951.4275	NA	PeJP	NA	NA
+PJ096905	VEFWWW 	C52H57N9O9	951.428	NA	PeJP	NA	NA
+PJ096906	MHHRWW 	C45H57N15O7S	951.4287	NA	PeJP	NA	NA
+PJ096907	SSSTQKEW 	C40H61N11O16	951.4298	NA	PeJP	NA	NA
+PJ096908	SLEMMRW 	C41H65N11O11S2	951.4307	NA	PeJP	NA	NA
+PJ096909	STEHHRW 	C41H57N15O12	951.4311	NA	PeJP	NA	NA
+PJ096910	PNNEHRW 	C41H57N15O12	951.4312	NA	PeJP	NA	NA
+PJ096911	GPLMYWW 	C49H61N9O9S	951.4313	NA	PeJP	NA	NA
+PJ096912	CCQMRRR 	C34H65N17O9S3	951.4314	NA	PeJP	NA	NA
+MJ098501	Liposidomycin; Liposidomycin A-I, 13,14-Didehydro, desulfo 	C44H65N5O18	951.43246	NA	MeJP	NA	NA
+PJ096913	SSTLEEMR 	C37H65N11O16S	951.4332	NA	PeJP	NA	NA
+PJ096914	PTKEEYW 	C45H61N9O14	951.4338	NA	PeJP	NA	NA
+PJ096915	GGGPLEEFF 	C45H61N9O14	951.4339	NA	PeJP	NA	NA
+PJ096916	AALEMMMR 	C38H69N11O11S3	951.4341	NA	PeJP	NA	NA
+PJ096917	GSSTCRRW 	C38H61N15O12S	951.4345	NA	PeJP	NA	NA
+PJ096918	GGGGGGGCKFR 	C38H61N15O12S	951.4346	NA	PeJP	NA	NA
+PJ096919	SVLMMWW 	C46H65N9O9S2	951.4347	NA	PeJP	NA	NA
+PJ096920	NQRYWW 	C46H57N13O10	951.4352	NA	PeJP	NA	NA
+PJ096921	GSSSSSERR 	C34H61N15O17	951.437	NA	PeJP	NA	NA
+PJ096922	SSSLLEMW 	C42H65N9O14S	951.4372	NA	PeJP	NA	NA
+PJ096923	APLYYYY 	C50H61N7O12	951.4378	NA	PeJP	NA	NA
+MJ098502	Antibiotic Q 6402A 	C50H61N7O12	951.43782	NA	MeJP	NA	NA
+PJ096924	ALEFFYY 	C50H61N7O12	951.4379	NA	PeJP	NA	NA
+PJ096925	LLQMMMW 	C43H69N9O9S3	951.4381	NA	PeJP	NA	NA
+PJ096926	SSCKRWW 	C43H61N13O10S	951.4385	NA	PeJP	NA	NA
+PJ096927	GGAQMFRW 	C43H61N13O10S	951.4386	NA	PeJP	NA	NA
+PJ096928	AHHFFFF 	C51H57N11O8	951.4392	NA	PeJP	NA	NA
+PJ096929	SSSSTLLEE 	C38H65N9O19	951.4397	NA	PeJP	NA	NA
+PJ096930	ATLKEEMM 	C39H69N9O14S2	951.4406	NA	PeJP	NA	NA
+PJ096931	SSSSDKRW 	C39H61N13O15	951.441	NA	PeJP	NA	NA
+PJ096932	LDDDRRY 	C39H61N13O15	951.4411	NA	PeJP	NA	NA
+PJ096933	SLLMYYY 	C47H65N7O12S	951.4412	NA	PeJP	NA	NA
+PJ096934	APLKMMMM 	C40H73N9O9S4	951.4415	NA	PeJP	NA	NA
+PJ096935	SNKMMRW 	C40H65N13O10S2	951.4419	NA	PeJP	NA	NA
+PJ096936	NNQHHFR 	C40H57N17O11	951.4424	NA	PeJP	NA	NA
+PJ096937	PPVMHWW 	C48H61N11O8S	951.4426	NA	PeJP	NA	NA
+PJ096938	SSSQKEMR 	C36H65N13O15S	951.4444	NA	PeJP	NA	NA
+PJ096939	GSSTTKWW 	C44H61N11O13	951.4451	NA	PeJP	NA	NA
+PJ096940	VEMMMRR 	C37H69N13O10S3	951.4453	NA	PeJP	NA	NA
+PJ096941	SEMHHRR 	C37H61N17O11S	951.4458	NA	PeJP	NA	NA
+PJ096942	ACKKMWW 	C45H65N11O8S2	951.4459	NA	PeJP	NA	NA
+PJ096943	GPNHRWW 	C45H57N15O9	951.4464	NA	PeJP	NA	NA
+PJ096944	GSSKKEMW 	C41H65N11O13S	951.4484	NA	PeJP	NA	NA
+PJ096945	GGGPDKKMY 	C41H65N11O13S	951.4485	NA	PeJP	NA	NA
+PJ096946	GVLEYWW 	C49H61N9O11	951.4491	NA	PeJP	NA	NA
+PJ096947	VVMMMRW 	C42H69N11O8S3	951.4493	NA	PeJP	NA	NA
+PJ096948	GCQFRRW 	C42H61N15O9S	951.4498	NA	PeJP	NA	NA
+PJ096949	GSSSTKKEE 	C37H65N11O18	951.4509	NA	PeJP	NA	NA
+PJ096950	ATTLEMMR 	C38H69N11O13S2	951.4518	NA	PeJP	NA	NA
+PJ096951	SSSSSRRW 	C38H61N15O14	951.4523	NA	PeJP	NA	NA
+PJ096952	PVKEMYW 	C46H65N9O11S	951.4525	NA	PeJP	NA	NA
+8239	Antioxidative peptide	LSKAQSDFG	951.4529	NA  ;SYN:(S)-1H-Imidazole-4-alanine; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; (S)-4-(2-Amino-2-carboxyethyl)imidazole; (S)-Histidine; (S)-a-Amino-1H-imidazole-4-propanoate; (S)-a-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propanoate; (S)-alpha-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propionate; (S)-alpha-Amino-1H-imidazole-4-propionic acid; (S)1H-Imidazole-4-alanine; 3-(1H-imidazol-4-yl)-L-Alanine; Glyoxaline-5-alanine; His; Histidine; L-(-)-Histidine; amino-1H-imidazole-4-propanoate; amino-1H-imidazole-4-propanoic acid; amino-4-imidazoleproprionate; amino-4-imidazoleproprionic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+PJ096953	PTFFFFF 	C54H61N7O9	951.4531	NA	PeJP	NA	NA
+PJ096954	TCCKRRW 	C39H65N15O9S2	951.4532	NA	PeJP	NA	NA
+PJ096955	TQHHHHR 	C39H57N19O10	951.4536	NA	PeJP	NA	NA
+PJ096956	SSSPPTTLY 	C42H65N9O16	951.4549	NA	PeJP	NA	NA
+PJ096957	TTTTTLEW 	C42H65N9O16	951.455	NA	PeJP	NA	NA
+PJ096958	SSSTQMRR 	C35H65N15O14S	951.4556	NA	PeJP	NA	NA
+PJ096959	GGSSTTMRR 	C35H65N15O14S	951.4557	NA	PeJP	NA	NA
+PJ096960	GTTLLMMW 	C43H69N9O11S2	951.4558	NA	PeJP	NA	NA
+PJ096961	GNKERYW 	C43H61N13O12	951.4563	NA	PeJP	NA	NA
+PJ096962	VVMFFFY 	C51H65N7O9S	951.4565	NA	PeJP	NA	NA
+PJ096963	AKHHHHW 	C44H57N17O8	951.4577	NA	PeJP	NA	NA
+PJ096964	TTTLKEEM 	C39H69N9O16S	951.4583	NA	PeJP	NA	NA
+PJ096965	GLLKEMMM 	C40H73N9O11S3	951.4592	NA	PeJP	NA	NA
+PJ096966	GSSTKMRW 	C40H65N13O12S	951.4597	NA	PeJP	NA	NA
+PJ096967	LERYWW 	C48H61N11O10	951.4603	NA	PeJP	NA	NA
+PJ096968	PCHHFRR 	C41H61N17O8S	951.461	NA	PeJP	NA	NA
+PJ096969	GSSSTTKER 	C36H65N13O17	951.4622	NA	PeJP	NA	NA
+PJ096970	GTTQKMMR 	C37H69N13O12S2	951.463	NA	PeJP	NA	NA
+PJ096971	GSDKKMMR 	C37H69N13O12S2	951.4631	NA	PeJP	NA	NA
+PJ096972	GSPNEHRR 	C37H61N17O13	951.4635	NA	PeJP	NA	NA
+PJ096973	GGGGGGGGALHR 	C37H61N17O13	951.4636	NA	PeJP	NA	NA
+PJ096974	SSKKMWW 	C45H65N11O10S	951.4637	NA	PeJP	NA	NA
+PJ096975	VLYWWW 	C53H61N9O8	951.4643	NA	PeJP	NA	NA
+PJ096976	GPLFFWW 	C53H61N9O8	951.4644	NA	PeJP	NA	NA
+PJ096977	SSSTKKEW 	C41H65N11O15	951.4662	NA	PeJP	NA	NA
+PJ096978	SSSTCRRR 	C34H65N17O13S	951.4669	NA	PeJP	NA	NA
+PJ096979	TQKKMMW 	C42H69N11O10S2	951.4671	NA	PeJP	NA	NA
+PJ096980	GSQRRYW 	C42H61N15O11	951.4675	NA	PeJP	NA	NA
+PJ096981	GGPDKHRW 	C42H61N15O11	951.4676	NA	PeJP	NA	NA
+PJ096982	GLLMFWW 	C50H65N9O8S	951.4677	NA	PeJP	NA	NA
+PJ096983	CCKMRRR 	C35H69N17O8S3	951.4678	NA	PeJP	NA	NA
+PJ096984	TTTTLEMR 	C38H69N11O15S	951.4696	NA	PeJP	NA	NA
+PJ096985	VVKEEYW 	C46H65N9O13	951.4702	NA	PeJP	NA	NA
+PJ096986	GTLLMMMR 	C39H73N11O10S3	951.4704	NA	PeJP	NA	NA
+PJ096987	GGGLKKMMM 	C39H73N11O10S3	951.4705	NA	PeJP	NA	NA
+PJ096988	AQQMRRY 	C39H65N15O11S	951.4709	NA	PeJP	NA	NA
+PJ096989	PLKMMFW 	C47H69N9O8S2	951.4711	NA	PeJP	NA	NA
+PJ096990	NKRYWW 	C47H61N13O9	951.4716	NA	PeJP	NA	NA
+PJ096991	GSSSTTTRR 	C35H65N15O16	951.4734	NA	PeJP	NA	NA
+PJ096992	STTTLLMW 	C43H69N9O13S	951.4736	NA	PeJP	NA	NA
+PJ096993	ALLFYYY 	C51H65N7O11	951.4742	NA	PeJP	NA	NA
+PJ096994	GSSKMMRR 	C36H69N15O11S2	951.4743	NA	PeJP	NA	NA
+PJ096995	LLKMMMW 	C44H73N9O8S3	951.4745	NA	PeJP	NA	NA
+PJ096996	NNQQHRR 	C36H61N19O12	951.4747	NA	PeJP	NA	NA
+PJ096997	GGNQQHRR 	C36H61N19O12	951.4748	NA	PeJP	NA	NA
+PJ096998	GQKMFRW 	C44H65N13O9S	951.4749	NA	PeJP	NA	NA
+PJ096999	SSTTTTLLE 	C39H69N9O18	951.4761	NA	PeJP	NA	NA
+PJ097000	STLLKEMM 	C40H73N9O13S2	951.477	NA	PeJP	NA	NA
+PJ097001	SSSTTKRW 	C40H65N13O14	951.4774	NA	PeJP	NA	NA
+PJ097002	GGPPPDKER 	C40H65N13O14	951.4775	NA	PeJP	NA	NA
+PJ097003	TCKKMRW 	C41H69N13O9S2	951.4783	NA	PeJP	NA	NA
+PJ097004	SPNHRRW 	C41H61N17O10	951.4788	NA	PeJP	NA	NA
+PJ097005	SSSKKEMR 	C37H69N13O14S	951.4808	NA	PeJP	NA	NA
+PJ097006	SVLERYW 	C45H65N11O12	951.4814	NA	PeJP	NA	NA
+PJ097007	VVTERYW 	C45H65N11O12	951.4815	NA	PeJP	NA	NA
+PJ097008	QKKMMMR 	C38H73N13O9S3	951.4817	NA	PeJP	NA	NA
+PJ097009	GNMRRRY 	C38H65N17O10S	951.4821	NA	PeJP	NA	NA
+PJ097010	GGGMRRRY 	C38H65N17O10S	951.4822	NA	PeJP	NA	NA
+PJ097011	GLHHFRW 	C46H61N15O8	951.4828	NA	PeJP	NA	NA
+PJ097012	GTTTKKMW 	C42H69N11O12S	951.4848	NA	PeJP	NA	NA
+PJ097013	GGGGGPPPILM 	C42H69N11O12S	951.4849	NA	PeJP	NA	NA
+PJ097014	ATLLYWW 	C50H65N9O10	951.4855	NA	PeJP	NA	NA
+PJ097015	GCKFRRW 	C43H65N15O8S	951.4862	NA	PeJP	NA	NA
+PJ097016	SSSSSLKKE 	C38H69N11O17	951.4873	NA	PeJP	NA	NA
+PJ097017	STTLLMMR 	C39H73N11O12S2	951.4882	NA	PeJP	NA	NA
+PJ097018	SNKERRY 	C39H65N15O13	951.4887	NA	PeJP	NA	NA
+PJ097019	VLLQMYW 	C47H69N9O10S	951.4888	NA	PeJP	NA	NA
+PJ097020	GGLLLMYW 	C47H69N9O10S	951.4889	NA	PeJP	NA	NA
+PJ097021	LKMMHHR 	C40H69N15O8S2	951.4895	NA	PeJP	NA	NA
+PJ097022	TKHHHHR 	C40H61N19O9	951.49	NA	PeJP	NA	NA
+PJ097023	ASLLKEEY 	C43H69N9O15	951.4913	NA	PeJP	NA	NA
+PJ097024	GTLLKEEY 	C43H69N9O15	951.4914	NA	PeJP	NA	NA
+PJ097025	SSSTKMRR 	C36H69N15O13S	951.492	NA	PeJP	NA	NA
+PJ097026	GPLLKMMY 	C44H73N9O10S2	951.4922	NA	PeJP	NA	NA
+PJ097027	GDKKRYW 	C44H65N13O11	951.4927	NA	PeJP	NA	NA
+PJ097028	CKKMMRR 	C37H73N15O8S3	951.4929	NA	PeJP	NA	NA
+PJ097029	PCQHRRR 	C37H65N19O9S	951.4934	NA	PeJP	NA	NA
+PJ097030	SSSTTLLLM 	C40H73N9O15S	951.4947	NA	PeJP	NA	NA
+PJ097031	SVLLKMMM 	C41H77N9O10S3	951.4956	NA	PeJP	NA	NA
+PJ097032	VVEMRRY 	C41H69N13O11S	951.4961	NA	PeJP	NA	NA
+PJ097033	AAKKYWW 	C49H65N11O9	951.4967	NA	PeJP	NA	NA
+PJ097034	ASSTTTTKR 	C37H69N13O16	951.4985	NA	PeJP	NA	NA
+PJ097035	SSSSSTLKR 	C37H69N13O16	951.4986	NA	PeJP	NA	NA
+PJ097036	GTTKKMMR 	C38H73N13O11S2	951.4994	NA	PeJP	NA	NA
+PJ097037	SSQRRRY 	C38H65N17O12	951.4999	NA	PeJP	NA	NA
+PJ097038	ALLMRYW 	C46H69N11O9S	951.5001	NA	PeJP	NA	NA
+PJ097039	STTTTKKW 	C42H69N11O14	951.5026	NA	PeJP	NA	NA
+PJ097040	TKKKMMW 	C43H73N11O9S2	951.5035	NA	PeJP	NA	NA
+PJ097041	GSKRRYW 	C43H65N15O10	951.5039	NA	PeJP	NA	NA
+PJ097042	ASSSTLKKM 	C39H73N11O14S	951.5059	NA	PeJP	NA	NA
+PJ097043	STTKKKEM 	C39H73N11O14S	951.506	NA	PeJP	NA	NA
+PJ097044	TLLKEYW 	C47H69N9O12	951.5066	NA	PeJP	NA	NA
+PJ097045	GVKKKMMM 	C40H77N11O9S3	951.5068	NA	PeJP	NA	NA
+PJ097046	AQKMRRY 	C40H69N15O10S	951.5073	NA	PeJP	NA	NA
+PJ097047	APKKHWW 	C48H65N13O8	951.5079	NA	PeJP	NA	NA
+PJ097048	PPLHFRW 	C48H65N13O8	951.508	NA	PeJP	NA	NA
+PJ097049	GVLLKEMY 	C44H73N9O12S	951.51	NA	PeJP	NA	NA
+PJ097050	AQEHRRR 	C37H65N19O11	951.5111	NA	PeJP	NA	NA
+PJ097051	GAAEHRRR 	C37H65N19O11	951.5112	NA	PeJP	NA	NA
+PJ097052	GKKMFRW 	C45H69N13O8S	951.5113	NA	PeJP	NA	NA
+PJ097053	TTTTTTTLL 	C40H73N9O17	951.5125	NA	PeJP	NA	NA
+PJ097054	TQKKERY 	C41H69N13O13	951.5138	NA	PeJP	NA	NA
+PJ097055	GGGGGGGPPVLK 	C41H69N13O13	951.5139	NA	PeJP	NA	NA
+PJ097056	VLMMFRR 	C42H73N13O8S2	951.5147	NA	PeJP	NA	NA
+PJ097057	GLQHRRW 	C42H65N17O9	951.5152	NA	PeJP	NA	NA
+2896	neuropeptide from eyestalk of Macrobrachium rosenb	KNEFIRF~	951.5159	antibacterial	Inhouse_peptide	NA	peptide
+PJ097058	STTTKKMR 	C38H73N13O13S	951.5172	NA	PeJP	NA	NA
+PJ097059	TTLLRYW 	C46H69N11O11	951.5178	NA	PeJP	NA	NA
+PJ097060	AALLLEHW 	C46H69N11O11	951.5179	NA	PeJP	NA	NA
+PJ097061	KKKMMMR 	C39H77N13O8S3	951.5181	NA	PeJP	NA	NA
+PJ097062	ACKRRRY 	C39H69N17O9S	951.5185	NA	PeJP	NA	NA
+MJ098503	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-xylopyranosyl-(1?2)-?-D-fucopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C49H77NO17	951.51915	NA	MeJP	NA	NA
+PJ097063	LLKEMRY 	C43H73N11O11S	951.5212	NA	PeJP	NA	NA
+PJ097064	PVLKFYW 	C51H69N9O9	951.5219	NA	PeJP	NA	NA
+PJ097065	GDHRRRR 	C36H65N21O10	951.5224	NA	PeJP	NA	NA
+PJ097066	SSSTTTLKK 	C39H73N11O16	951.5237	NA	PeJP	NA	NA
+PJ097067	SSLKKKMM 	C40H77N11O11S2	951.5246	NA	PeJP	NA	NA
+PJ097068	SDKKRRY 	C40H69N15O12	951.525	NA	PeJP	NA	NA
+PJ097069	GATTKRRY 	C40H69N15O12	951.5251	NA	PeJP	NA	NA
+PJ097070	VLLKMYW 	C48H73N9O9S	951.5252	NA	PeJP	NA	NA
+PJ097071	AAHRRRW 	C41H65N19O8	951.5264	NA	PeJP	NA	NA
+PJ097072	SSLLLKEY 	C44H73N9O14	951.5277	NA	PeJP	NA	NA
+PJ097073	GPPVVLLEE 	C44H73N9O14	951.5278	NA	PeJP	NA	NA
+PJ097074	GLLLKMMF 	C45H77N9O9S2	951.5286	NA	PeJP	NA	NA
+MJ098504	Peptide AF 1 	C45H69N13O10	951.529035	NA	MeJP	NA	NA
+PJ097075	ATKKRYW 	C45H69N13O10	951.5291	NA	PeJP	NA	NA
+PJ097076	PCKHRRR 	C38H69N19O8S	951.5298	NA	PeJP	NA	NA
+PJ097077	TLLMRRY 	C42H73N13O10S	951.5324	NA	PeJP	NA	NA
+PJ097078	GGLKKMRY 	C42H73N13O10S	951.5325	NA	PeJP	NA	NA
+PJ097079	VVLLHWW 	C50H69N11O8	951.5331	NA	PeJP	NA	NA
+PJ097080	SCCKKKKK 	C39H77N13O10S2	951.5358	NA	PeJP	NA	NA
+PJ097081	SSKRRRY 	C39H69N17O11	951.5363	NA	PeJP	NA	NA
+PJ097082	CLKKKFW 	C47H73N11O8S	951.5365	NA	PeJP	NA	NA
+PJ097083	SSTLLLRY 	C43H73N11O13	951.539	NA	PeJP	NA	NA
+PJ097084	PPLQRRW 	C44H69N15O9	951.5403	NA	PeJP	NA	NA
+PJ097085	PPVVLLEW 	C48H73N9O11	951.543	NA	PeJP	NA	NA
+PJ097086	AKKMRRY 	C41H73N15O9S	951.5437	NA	PeJP	NA	NA
+PJ097087	ATLLLKMY 	C45H77N9O11S	951.5464	NA	PeJP	NA	NA
+PJ097088	PPDRRRR 	C38H69N19O10	951.5475	NA	PeJP	NA	NA
+PJ097089	TKKKERY 	C42H73N13O12	951.5502	NA	PeJP	NA	NA
+PJ097090	GLKHRRW 	C43H69N17O8	951.5515	NA	PeJP	NA	NA
+PJ097091	SLKKKYW 	C47H73N11O10	951.5542	NA	PeJP	NA	NA
+PJ097092	PKKMHRR 	C40H73N17O8S	951.5549	NA	PeJP	NA	NA
+PJ097093	AALKKKMY 	C44H77N11O10S	951.5576	NA	PeJP	NA	NA
+PJ097094	VLLKFFW 	C52H73N9O8	951.5582	NA	PeJP	NA	NA
+PJ097095	ATHRRRR 	C37H69N21O9	951.5588	NA	PeJP	NA	NA
+PJ097096	TTKKRRY 	C41H73N15O11	951.5614	NA	PeJP	NA	NA
+PJ097097	GPPLKERR 	C41H73N15O11	951.5615	NA	PeJP	NA	NA
+PJ097098	TTTLLLKY 	C45H77N9O13	951.5641	NA	PeJP	NA	NA
+PJ097099	GPPVLKRW 	C46H73N13O9	951.5655	NA	PeJP	NA	NA
+PJ097100	VKKKMRY 	C43H77N13O9S	951.5688	NA	PeJP	NA	NA
+PJ097101	GPPTLRRR 	C40H73N17O10	951.5727	NA	PeJP	NA	NA
+PJ097102	ATTLKKKY 	C44H77N11O12	951.5753	NA	PeJP	NA	NA
+PJ097103	SSVLKKKY 	C44H77N11O12	951.5754	NA	PeJP	NA	NA
+PJ097104	PPLKRRW 	C45H73N15O8	951.5767	NA	PeJP	NA	NA
+PJ097105	PPTLLLLW 	C49H77N9O10	951.5794	NA	PeJP	NA	NA
+PJ097106	GPPVLLLLM 	C46H81N9O10S	951.5828	NA	PeJP	NA	NA
+PJ097107	SLKHRRR 	C39H73N19O9	951.5839	NA	PeJP	NA	NA
+PJ097108	STLLLLHR 	C43H77N13O11	951.5866	NA	PeJP	NA	NA
+PJ097109	APPLLKKW 	C48H77N11O9	951.5906	NA	PeJP	NA	NA
+PJ097110	PPLLLLMR 	C45H81N11O9S	951.594	NA	PeJP	NA	NA
+PJ097111	SPPVLKRR 	C42H77N15O10	951.5978	NA	PeJP	NA	NA
+PJ097112	AAPLLLLLE 	C46H81N9O12	951.6005	NA	PeJP	NA	NA
+PJ097113	LLKKKHW 	C47H77N13O8	951.6018	NA	PeJP	NA	NA
+PJ097114	AAPLLRRR 	C41H77N17O9	951.6091	NA	PeJP	NA	NA
+PJ097115	PLLLLQQK 	C45H81N11O11	951.6117	NA	PeJP	NA	NA
+PJ097116	PVLLLLER 	C45H81N11O11	951.6118	NA	PeJP	NA	NA
+PJ097117	PVVLLLLW 	C50H81N9O9	951.6158	NA	PeJP	NA	NA
+PJ097118	PVLRRRR 	C40H77N19O8	951.6203	NA	PeJP	NA	NA
+PJ097119	PPTLLKKR 	C44H81N13O10	951.623	NA	PeJP	NA	NA
+PJ097120	GPLLLKRR 	C43H81N15O9	951.6342	NA	PeJP	NA	NA
+PJ097121	GPTLLLLLL 	C47H85N9O11	951.6369	NA	PeJP	NA	NA
+PJ097122	KKKKKHR 	C42H81N17O8	951.6454	NA	PeJP	NA	NA
+PJ097123	PLLLLQKK 	C46H85N11O10	951.6481	NA	PeJP	NA	NA
+PJ097124	PVVLLKKR 	C45H85N13O9	951.6594	NA	PeJP	NA	NA
+PJ097125	AALLLLLLL 	C48H89N9O10	951.6733	NA	PeJP	NA	NA
+PJ097126	VLLLLLLR 	C47H89N11O9	951.6845	NA	PeJP	NA	NA
+MJ098505	Bastadin 16; 6-Hydroxy, 11-debromo 	C34H28Br4N4O9	951.858979	NA	MeJP	NA	NA
+MJ098506	Bastadin 4; 30-Debromo, 5,6-dihydro, 6S-hydroxy 	C34H28Br4N4O9	951.858979	NA	MeJP	NA	NA
+MJ098507	Alazanine(1+); 2,4,5-Trichlorophenolate, compd. with 2,4,5-trichlorophenol (1:2) 	C39H29Cl9N2O3S2	951.881633	NA	MeJP	NA	NA
+MJ098508	Acalyphidin M2 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098509	Brediatin A 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098510	Carpinusin 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098511	Chinquapinic acid 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098512	Euphorscopin 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098513	Flosin A 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098514	Gemin E 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098515	Geraniin 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098516	Granatin B 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098517	Helioscopinin A 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098518	Hippophaenin A 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098519	Phyllanthusiin A 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098520	Platycariin 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098521	Platycaryanin D; 5''-O-(6-Carboxy-2,3,4-trihydroxyphenyl) 	C41H28O27	952.081795	NA	MeJP	NA	NA
+MJ098522	Rugosin C; 1-Degalloyl 	C41H28O27	952.081795	NA	MeJP	NA	NA
+C10230	Geraniin	C41H28O27	952.0818	NA	KEGG	NA	NA
+PJ097127	SCCCCCCND 	C29H48N10O14S6	952.1676	NA	PeJP	NA	NA
+PJ097128	GCCCCCCQM 	C30H52N10O11S7	952.1862	NA	PeJP	NA	NA
+PJ097129	GGACCCCCCM 	C30H52N10O11S7	952.1863	NA	PeJP	NA	NA
+PJ097130	GCCCCCCCR 	C29H52N12O10S7	952.1975	NA	PeJP	NA	NA
+PJ097131	SSCCCCCNM 	C30H52N10O13S6	952.204	NA	PeJP	NA	NA
+PJ097132	CCCCDDEY 	C34H48N8O16S4	952.2072	NA	PeJP	NA	NA
+PJ097133	CCCCEMMM 	C32H56N8O11S7	952.2114	NA	PeJP	NA	NA
+PJ097134	GSSSTCCCCC 	C30H52N10O15S5	952.2218	NA	PeJP	NA	NA
+PJ097135	GCCCCCCKM 	C31H56N10O10S7	952.2226	NA	PeJP	NA	NA
+PJ097136	CCCCDEMF 	C35H52N8O13S5	952.2258	NA	PeJP	NA	NA
+PJ097137	CCDDDDMH 	C33H48N10O17S3	952.2362	NA	PeJP	NA	NA
+PJ097138	CCCCNNMY 	C34H52N10O12S5	952.237	NA	PeJP	NA	NA
+PJ097139	SSSSSSCCCC 	C30H52N10O17S4	952.2395	NA	PeJP	NA	NA
+PJ097140	STCCCCCCK 	C31H56N10O12S6	952.2404	NA	PeJP	NA	NA
+PJ097141	DDDDDDDE 	C33H44N8O25	952.2418	NA	PeJP	NA	NA
+PJ097142	SCCCDEMY 	C35H52N8O15S4	952.2435	NA	PeJP	NA	NA
+PJ097143	PCCCCMMY 	C36H56N8O10S6	952.2444	NA	PeJP	NA	NA
+PJ097144	GSCCCNDDH 	C32H48N12O16S3	952.2474	NA	PeJP	NA	NA
+PJ097145	TCCCMMMM 	C33H60N8O10S7	952.2478	NA	PeJP	NA	NA
+PJ097146	GPCCCCCQH 	C33H52N12O11S5	952.2482	NA	PeJP	NA	NA
+PJ097147	GGAPCCCCCH 	C33H52N12O11S5	952.2483	NA	PeJP	NA	NA
+PJ097148	GPCCNDDDD 	C33H48N10O19S2	952.2539	NA	PeJP	NA	NA
+PJ097149	GSSCCCCQY 	C34H52N10O14S4	952.2548	NA	PeJP	NA	NA
+PJ097150	GCCDDDYY 	C38H48N8O17S2	952.2579	NA	PeJP	NA	NA
+PJ097151	PCCCCDFY 	C39H52N8O12S4	952.2588	NA	PeJP	NA	NA
+PJ097152	GCCDMMMY 	C36H56N8O12S5	952.2622	NA	PeJP	NA	NA
+PJ097153	CCCNNEMH 	C33H52N12O13S4	952.266	NA	PeJP	NA	NA
+PJ097154	CCCCNNFF 	C38H52N10O11S4	952.27	NA	PeJP	NA	NA
+PJ097155	NNDDDDDM 	C33H48N10O21S	952.2717	NA	PeJP	NA	NA
+PJ097156	SSSSCCCNY 	C34H52N10O16S3	952.2725	NA	PeJP	NA	NA
+PJ097157	CCCCCQKY 	C35H56N10O11S5	952.2734	NA	PeJP	NA	NA
+PJ097158	SPCCCDYY 	C39H52N8O14S3	952.2765	NA	PeJP	NA	NA
+PJ097159	GCCDDMFY 	C39H52N8O14S3	952.2766	NA	PeJP	NA	NA
+PJ097160	CCCCNDHR 	C32H52N14O12S4	952.2772	NA	PeJP	NA	NA
+PJ097161	GGCCCCDHR 	C32H52N14O12S4	952.2773	NA	PeJP	NA	NA
+PJ097162	PCCCCMFF 	C40H56N8O9S5	952.2774	NA	PeJP	NA	NA
+PJ097163	SDDDDEEE 	C34H48N8O24	952.2782	NA	PeJP	NA	NA
+C11542	Cobalt-precorrin 6	C44H53CoN4O16	952.2789	NA	KEGG	NA	NA
+PJ097164	PDDDDDMM 	C35H52N8O19S2	952.2791	NA	PeJP	NA	NA
+PJ097165	SSCCEMMY 	C36H56N8O14S4	952.2799	NA	PeJP	NA	NA
+PJ097166	GCCMMMMF 	C37H60N8O9S6	952.2808	NA	PeJP	NA	NA
+PJ097167	GCCCNMHW 	C37H52N12O10S4	952.2813	NA	PeJP	NA	NA
+PJ097168	GSCNNNDDD 	C32H48N12O20S	952.2829	NA	PeJP	NA	NA
+PJ097169	GSSCCNDMH 	C33H52N12O15S3	952.2838	NA	PeJP	NA	NA
+PJ097170	GPCCCCCKH 	C34H56N12O10S5	952.2846	NA	PeJP	NA	NA
+PJ097171	GCNDDDEW 	C37H48N10O18S	952.2869	NA	PeJP	NA	NA
+PJ097172	GCCCNQYY 	C38H52N10O13S3	952.2878	NA	PeJP	NA	NA
+PJ097173	GSSNDDDDE 	C33H48N10O23	952.2894	NA	PeJP	NA	NA
+PJ097174	GSPCNDDDM 	C34H52N10O18S2	952.2903	NA	PeJP	NA	NA
+PJ097175	GSSCCCCKY 	C35H56N10O13S4	952.2912	NA	PeJP	NA	NA
+PJ097176	SCCDDHHH 	C35H48N14O14S2	952.2916	NA	PeJP	NA	NA
+PJ097177	CCCEFYW 	C43H52N8O11S3	952.2918	NA	PeJP	NA	NA
+PJ097178	PDDDDDDF 	C38H48N8O21	952.2935	NA	PeJP	NA	NA
+PJ097179	GSCDDMYY 	C39H52N8O16S2	952.2943	NA	PeJP	NA	NA
+PJ097180	APCCCMYY 	C40H56N8O11S4	952.2952	NA	PeJP	NA	NA
+PJ097181	GDDEEEEM 	C35H52N8O21S	952.2968	NA	PeJP	NA	NA
+PJ097182	PCDDDDHH 	C36H48N12O17S	952.2982	NA	PeJP	NA	NA
+PJ097183	GSCMMMMY 	C37H60N8O11S5	952.2985	NA	PeJP	NA	NA
+PJ097184	SSCCCQHW 	C37H52N12O12S3	952.299	NA	PeJP	NA	NA
+PJ097185	SSSSCCNEH 	C33H52N12O17S2	952.3015	NA	PeJP	NA	NA
+PJ097186	GGGGGGGGCDEM 	C33H52N12O17S2	952.3016	NA	PeJP	NA	NA
+PJ097187	CNDDDWW 	C41H48N10O15S	952.3022	NA	PeJP	NA	NA
+PJ097188	GPPCCCCDR 	C34H56N12O12S4	952.3024	NA	PeJP	NA	NA
+PJ097189	SSNDDDDW 	C37H48N10O20	952.3047	NA	PeJP	NA	NA
+PJ097190	SPCCNDEW 	C38H52N10O15S2	952.3055	NA	PeJP	NA	NA
+PJ097191	GGSPCCDEW 	C38H52N10O15S2	952.3056	NA	PeJP	NA	NA
+PJ097192	CDMMMHW 	C39H56N10O10S4	952.3064	NA	PeJP	NA	NA
+PJ097193	SNNDDEEM 	C34H52N10O20S	952.308	NA	PeJP	NA	NA
+PJ097194	GGSNDDEEM 	C34H52N10O20S	952.3081	NA	PeJP	NA	NA
+PJ097195	SSDDMMMH 	C35H56N10O15S3	952.3089	NA	PeJP	NA	NA
+PJ097196	SCCEYYW 	C43H52N8O13S2	952.3096	NA	PeJP	NA	NA
+PJ097197	CCCCCKKY 	C36H60N10O10S5	952.3098	NA	PeJP	NA	NA
+PJ097198	GCCEMHHH 	C36H52N14O11S3	952.3103	NA	PeJP	NA	NA
+PJ097199	DDEEEMW 	C39H52N8O18S	952.3121	NA	PeJP	NA	NA
+PJ097200	GSCCNNNNQ 	C32H52N14O16S2	952.3127	NA	PeJP	NA	NA
+PJ097201	CCNNNDDR 	C32H52N14O16S2	952.3128	NA	PeJP	NA	NA
+PJ097202	CNEMMYY 	C40H56N8O13S3	952.3129	NA	PeJP	NA	NA
+PJ097203	SCCCNMHR 	C33H56N14O11S4	952.3136	NA	PeJP	NA	NA
+PJ097204	GCCCHHFF 	C41H52N12O9S3	952.3143	NA	PeJP	NA	NA
+PJ097205	SSDEEEEE 	C35H52N8O23	952.3146	NA	PeJP	NA	NA
+PJ097206	SPDDEEMM 	C36H56N8O18S2	952.3154	NA	PeJP	NA	NA
+PJ097207	GDDDEEHH 	C36H48N12O19	952.3159	NA	PeJP	NA	NA
+PJ097208	SSTCMMMY 	C37H60N8O13S4	952.3163	NA	PeJP	NA	NA
+PJ097209	GSSSSCCHW 	C37H52N12O14S2	952.3168	NA	PeJP	NA	NA
+PJ097210	ACCCCKHW 	C38H56N12O9S4	952.3177	NA	PeJP	NA	NA
+PJ097211	SCNDDDER 	C33H52N12O19S	952.3193	NA	PeJP	NA	NA
+PJ097212	PCCCDQER 	C34H56N12O14S3	952.3201	NA	PeJP	NA	NA
+PJ097213	PCCNDDMR 	C34H56N12O14S3	952.3202	NA	PeJP	NA	NA
+PJ097214	GSPCCDWW 	C42H52N10O12S2	952.3208	NA	PeJP	NA	NA
+MJ098523	Uhdoside A; 3'-O-?-D-Glucopyranosyl, 6'''-O-?-D-glucopyranoside 	C44H56O23	952.321238	NA	MeJP	NA	NA
+MJ098524	Uhdoside A; 6'''-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C44H56O23	952.321238	NA	MeJP	NA	NA
+PJ097215	GSNDDEMW 	C38H52N10O17S	952.3233	NA	PeJP	NA	NA
+PJ097216	GPCNDMMW 	C39H56N10O12S3	952.3242	NA	PeJP	NA	NA
+PJ097217	CCMHHHW 	C40H52N14O8S3	952.3255	NA	PeJP	NA	NA
+PJ097218	GSSSNDEEE 	C34H52N10O22	952.3258	NA	PeJP	NA	NA
+PJ097219	GNNEEEMM 	C35H56N10O17S2	952.3267	NA	PeJP	NA	NA
+PJ097220	SNNDDDHH 	C35H48N14O18	952.3271	NA	PeJP	NA	NA
+PJ097221	GGSNDDDHH 	C35H48N14O18	952.3272	NA	PeJP	NA	NA
+PJ097222	CNDEFYY 	C43H52N8O15S	952.3273	NA	PeJP	NA	NA
+PJ097223	GSEMMMMH 	C36H60N10O12S4	952.3275	NA	PeJP	NA	NA
+PJ097224	GGGPPTCCMM 	C36H60N10O12S4	952.3276	NA	PeJP	NA	NA
+PJ097225	SSCDMHHH 	C36H52N14O13S2	952.328	NA	PeJP	NA	NA
+PJ097226	GCMMYYW 	C44H56N8O10S3	952.3282	NA	PeJP	NA	NA
+PJ097227	GPDDEEEY 	C39H52N8O20	952.3298	NA	PeJP	NA	NA
+PJ097228	SSSCNNNNN 	C32H52N14O18S	952.3305	NA	PeJP	NA	NA
+PJ097229	GSSDMMYY 	C40H56N8O15S2	952.3307	NA	PeJP	NA	NA
+PJ097230	DDDEHHW 	C40H48N12O16	952.3312	NA	PeJP	NA	NA
+PJ097231	GSSTCCCHR 	C33H56N14O13S3	952.3314	NA	PeJP	NA	NA
+PJ097232	CQMMMFY 	C41H60N8O10S4	952.3315	NA	PeJP	NA	NA
+PJ097233	GACMMMFY 	C41H60N8O10S4	952.3316	NA	PeJP	NA	NA
+PJ097234	CCNNQWW 	C41H52N12O11S2	952.332	NA	PeJP	NA	NA
+PJ097235	GGGGGACCWW 	C41H52N12O11S2	952.3321	NA	PeJP	NA	NA
+PJ097236	GTEEEEEM 	C36H56N8O20S	952.3332	NA	PeJP	NA	NA
+PJ097237	GPEEEMMM 	C37H60N8O15S3	952.3341	NA	PeJP	NA	NA
+PJ097238	GSCDDDRW 	C37H52N12O16S	952.3345	NA	PeJP	NA	NA
+PJ097239	GGGGGGSSCEW 	C37H52N12O16S	952.3346	NA	PeJP	NA	NA
+PJ097240	GPCCCERW 	C38H56N12O11S3	952.3354	NA	PeJP	NA	NA
+PJ097241	GSSSDDDDR 	C33H52N12O21	952.337	NA	PeJP	NA	NA
+PJ097242	GGGGGGSSSSDE 	C33H52N12O21	952.3371	NA	PeJP	NA	NA
+PJ097243	GNDDDMMR 	C34H56N12O16S2	952.3379	NA	PeJP	NA	NA
+PJ097244	SCEEHYW 	C42H52N10O14S	952.3385	NA	PeJP	NA	NA
+PJ097245	SNDDMWW 	C42H52N10O14S	952.3386	NA	PeJP	NA	NA
+PJ097246	GSPPCCCMR 	C35H60N12O11S4	952.3388	NA	PeJP	NA	NA
+PJ097247	PCCQMWW 	C43H56N10O9S3	952.3394	NA	PeJP	NA	NA
+PJ097248	SPNNDDEY 	C38H52N10O19	952.341	NA	PeJP	NA	NA
+PJ097249	SSSNDEEW 	C38H52N10O19	952.3411	NA	PeJP	NA	NA
+PJ097250	NNEEMMW 	C39H56N10O14S2	952.3419	NA	PeJP	NA	NA
+PJ097251	GCDFYYW 	C47H52N8O12S	952.3426	NA	PeJP	NA	NA
+PJ097252	SMMMMHW 	C40H60N10O9S4	952.3428	NA	PeJP	NA	NA
+PJ097253	GPCCNHHW 	C40H52N14O10S2	952.3433	NA	PeJP	NA	NA
+PJ097254	SSNQEEEM 	C35H56N10O19S	952.3444	NA	PeJP	NA	NA
+PJ097255	PDDEEYW 	C43H52N8O17	952.3451	NA	PeJP	NA	NA
+PJ097256	SSTEMMMH 	C36H60N10O14S3	952.3453	NA	PeJP	NA	NA
+PJ097257	CNNNNNNF 	C36H52N14O15S	952.3458	NA	PeJP	NA	NA
+PJ097258	STCMYYW 	C44H56N8O12S2	952.3459	NA	PeJP	NA	NA
+PJ097259	GGCEMFFY 	C44H56N8O12S2	952.346	NA	PeJP	NA	NA
+PJ097260	AAMMMMMH 	C37H64N10O9S5	952.3462	NA	PeJP	NA	NA
+PJ097261	GCCCQHFR 	C37H56N14O10S3	952.3466	NA	PeJP	NA	NA
+PJ097262	GGACCCHFR 	C37H56N14O10S3	952.3467	NA	PeJP	NA	NA
+PJ097263	SSSSEMYY 	C40H56N8O17S	952.3484	NA	PeJP	NA	NA
+PJ097264	TEEEEMW 	C40H56N8O17S	952.3485	NA	PeJP	NA	NA
+PJ097265	ACCDDDRR 	C33H56N14O15S2	952.3491	NA	PeJP	NA	NA
+PJ097266	GCCDDERR 	C33H56N14O15S2	952.3492	NA	PeJP	NA	NA
+PJ097267	PEEMMMW 	C41H60N8O12S3	952.3493	NA	PeJP	NA	NA
+PJ097268	GSSCNNWW 	C41H52N12O13S	952.3498	NA	PeJP	NA	NA
+PJ097269	TCCCCKHR 	C34H60N14O10S4	952.35	NA	PeJP	NA	NA
+PJ097270	PCCCRWW 	C42H56N12O8S3	952.3507	NA	PeJP	NA	NA
+PJ097271	STTEEEEE 	C36H56N8O22	952.3509	NA	PeJP	NA	NA
+PJ097272	TTTDEEEE 	C36H56N8O22	952.351	NA	PeJP	NA	NA
+PJ097273	GVEEEEMM 	C37H60N8O17S2	952.3518	NA	PeJP	NA	NA
+PJ097274	GSSSSNNDW 	C37H52N12O18	952.3523	NA	PeJP	NA	NA
+PJ097275	SPPEMMMM 	C38H64N8O12S4	952.3527	NA	PeJP	NA	NA
+PJ097276	CNDEMRW 	C38H56N12O13S2	952.3532	NA	PeJP	NA	NA
+PJ097277	GSCEWWW 	C46H52N10O11S	952.3538	NA	PeJP	NA	NA
+PJ097278	GSSSCQQQE 	C34H56N12O18S	952.3556	NA	PeJP	NA	NA
+PJ097279	SSNDDEMR 	C34H56N12O18S	952.3557	NA	PeJP	NA	NA
+PJ097280	GSSSDEWW 	C42H52N10O16	952.3563	NA	PeJP	NA	NA
+PJ097281	SPCNDMMR 	C35H60N12O13S3	952.3565	NA	PeJP	NA	NA
+PJ097282	GGGGGGAQMMM 	C35H60N12O13S3	952.3566	NA	PeJP	NA	NA
+PJ097283	GCNDDHHR 	C35H52N16O14S	952.357	NA	PeJP	NA	NA
+PJ097284	GNEMMWW 	C43H56N10O11S2	952.3572	NA	PeJP	NA	NA
+PJ097285	GSSQEEMW 	C39H56N10O16S	952.3597	NA	PeJP	NA	NA
+PJ097286	GSDYYYW 	C47H52N8O14	952.3603	NA	PeJP	NA	NA
+PJ097287	SCMMRYY 	C40H60N10O11S3	952.3605	NA	PeJP	NA	NA
+PJ097288	GSPNMMMW 	C40H60N10O11S3	952.3606	NA	PeJP	NA	NA
+PJ097289	NNDMHHW 	C40H52N14O12S	952.361	NA	PeJP	NA	NA
+PJ097290	GCMFFYW 	C48H56N8O9S2	952.3612	NA	PeJP	NA	NA
+PJ097291	GSSSTQEEE 	C35H56N10O21	952.3622	NA	PeJP	NA	NA
+PJ097292	SSSPCCLQE 	C36H60N10O16S2	952.363	NA	PeJP	NA	NA
+PJ097293	EEEEMMR 	C36H60N10O16S2	952.3631	NA	PeJP	NA	NA
+PJ097294	SNNNNNNY 	C36H52N14O17	952.3635	NA	PeJP	NA	NA
+PJ097295	GGGGGGGGGGSNY 	C36H52N14O17	952.3636	NA	PeJP	NA	NA
+PJ097296	PDEEMFW 	C44H56N8O14S	952.3637	NA	PeJP	NA	NA
+PJ097297	ATTMMMMH 	C37H64N10O11S4	952.3639	NA	PeJP	NA	NA
+PJ097298	CCDDRRW 	C37H56N14O12S2	952.3644	NA	PeJP	NA	NA
+PJ097299	CQMMFFF 	C45H60N8O9S3	952.3646	NA	PeJP	NA	NA
+PJ097300	GPTEEEEY 	C40H56N8O19	952.3662	NA	PeJP	NA	NA
+PJ097301	SSCDDDRR 	C33H56N14O17S	952.3669	NA	PeJP	NA	NA
+PJ097302	VEEEMMW 	C41H60N8O14S2	952.3671	NA	PeJP	NA	NA
+PJ097303	NNNNEYW 	C41H52N12O15	952.3675	NA	PeJP	NA	NA
+PJ097304	GGGGNNEYW 	C41H52N12O15	952.3676	NA	PeJP	NA	NA
+PJ097305	SPCCCERR 	C34H60N14O12S3	952.3678	NA	PeJP	NA	NA
+PJ097306	CKMMMFY 	C42H64N8O9S4	952.3679	NA	PeJP	NA	NA
+PJ097307	PPPCMMMF 	C42H64N8O9S4	952.368	NA	PeJP	NA	NA
+PJ097308	GCDMRWW 	C42H56N12O10S2	952.3684	NA	PeJP	NA	NA
+PJ097309	SCWWWW 	C50H52N10O8S	952.3691	NA	PeJP	NA	NA
+PJ097310	SSLEEEEM 	C37H60N8O19S	952.3696	NA	PeJP	NA	NA
+PJ097311	SPVEEMMM 	C38H64N8O14S3	952.3705	NA	PeJP	NA	NA
+PJ097312	GSSDDMRW 	C38H56N12O15S	952.3709	NA	PeJP	NA	NA
+PJ097313	GGGGGGGGAEMF 	C38H56N12O15S	952.371	NA	PeJP	NA	NA
+PJ097314	PPCLMMMM 	C39H68N8O9S5	952.3713	NA	PeJP	NA	NA
+PJ097315	SSSDWWW 	C46H52N10O13	952.3716	NA	PeJP	NA	NA
+PJ097316	GPTCCMRW 	C39H60N12O10S3	952.3718	NA	PeJP	NA	NA
+PJ097317	GPCEHHHH 	C39H52N16O11S	952.3723	NA	PeJP	NA	NA
+PJ097318	NMMWWW 	C47H56N10O8S2	952.3724	NA	PeJP	NA	NA
+MJ098525	Placetin; Placetin A 	C49H60O19	952.372879	NA	MeJP	NA	NA
+PJ097319	GSSSSDEER 	C34H56N12O20	952.3734	NA	PeJP	NA	NA
+PJ097320	GSNEEMMR 	C35H60N12O15S2	952.3743	NA	PeJP	NA	NA
+PJ097321	GSSSNNNHH 	C35H52N16O16	952.3748	NA	PeJP	NA	NA
+PJ097322	SSQEMWW 	C43H56N10O13S	952.3749	NA	PeJP	NA	NA
+PJ097323	GGGGPEMYW 	C43H56N10O13S	952.375	NA	PeJP	NA	NA
+PJ097324	GPCQMMMR 	C36H64N12O10S4	952.3752	NA	PeJP	NA	NA
+PJ097325	SPCCNHHR 	C36H56N16O11S2	952.3756	NA	PeJP	NA	NA
+PJ097326	PCCKMWW 	C44H60N10O8S3	952.3758	NA	PeJP	NA	NA
+PJ097327	GCQHHWW 	C44H52N14O9S	952.3763	NA	PeJP	NA	NA
+PJ097328	SSSTQEEW 	C39H56N10O18	952.3774	NA	PeJP	NA	NA
+PJ097329	GGAAQEEEY 	C39H56N10O18	952.3775	NA	PeJP	NA	NA
+PJ097330	NDKEMMW 	C40H60N10O13S2	952.3783	NA	PeJP	NA	NA
+PJ097331	GSSNEHHW 	C40H52N14O14	952.3788	NA	PeJP	NA	NA
+PJ097332	QMYYYW 	C48H56N8O11S	952.3789	NA	PeJP	NA	NA
+PJ097333	GAMYYYW 	C48H56N8O11S	952.379	NA	PeJP	NA	NA
+PJ097334	NMMHHHF 	C41H56N14O9S2	952.3796	NA	PeJP	NA	NA
+PJ097335	GGMMHHHF 	C41H56N14O9S2	952.3797	NA	PeJP	NA	NA
+PJ097336	SSNKEEEM 	C36H60N10O18S	952.3808	NA	PeJP	NA	NA
+PJ097337	STQEYYY 	C44H56N8O16	952.3814	NA	PeJP	NA	NA
+PJ097338	PTEEEYW 	C44H56N8O16	952.3815	NA	PeJP	NA	NA
+PJ097339	TTTTMMMH 	C37H64N10O13S3	952.3817	NA	PeJP	NA	NA
+PJ097340	SSSCNNRW 	C37H56N14O14S	952.3821	NA	PeJP	NA	NA
+PJ097341	GGSSSCNRW 	C37H56N14O14S	952.3822	NA	PeJP	NA	NA
+MJ098526	Conocurvone 	C60H56O11	952.382262	NA	MeJP	NA	NA
+C10318	Conocurvone	C60H56O11	952.3823	NA	KEGG	NA	NA
+PJ097342	PPEMMYW 	C45H60N8O11S2	952.3823	NA	PeJP	NA	NA
+PJ097343	GNNNYWW 	C45H52N12O12	952.3828	NA	PeJP	NA	NA
+PJ097344	GCCCKHFR 	C38H60N14O9S3	952.383	NA	PeJP	NA	NA
+PJ097345	SSSSSNNDR 	C33H56N14O19	952.3846	NA	PeJP	NA	NA
+PJ097346	GGSSSSSNDR 	C33H56N14O19	952.3847	NA	PeJP	NA	NA
+PJ097347	SSTTTMYY 	C41H60N8O16S	952.3848	NA	PeJP	NA	NA
+PJ097348	GSCDEMRR 	C34H60N14O14S2	952.3855	NA	PeJP	NA	NA
+PJ097349	SKMMMYY 	C42H64N8O11S3	952.3857	NA	PeJP	NA	NA
+PJ097350	SSCERWW 	C42H56N12O12S	952.3862	NA	PeJP	NA	NA
+PJ097351	GPCCMMRR 	C35H64N14O9S4	952.3864	NA	PeJP	NA	NA
+PJ097352	NDFWWW 	C50H52N10O10	952.3868	NA	PeJP	NA	NA
+PJ097353	PCHHHHW 	C43H52N16O8S	952.3875	NA	PeJP	NA	NA
+PJ097354	ATLEEEMM 	C38H64N8O16S2	952.3882	NA	PeJP	NA	NA
+PJ097355	SSSSDERW 	C38H56N12O17	952.3887	NA	PeJP	NA	NA
+PJ097356	APLEMMMM 	C39H68N8O11S4	952.3891	NA	PeJP	NA	NA
+MJ098527	Tremasterol A; 2',3',4',6'-Tetra-Ac 	C43H69O19PS	952.389137	NA	MeJP	NA	NA
+PJ097357	SNEMMRW 	C39H60N12O12S2	952.3895	NA	PeJP	NA	NA
+PJ097358	GGSEMMRW 	C39H60N12O12S2	952.3896	NA	PeJP	NA	NA
+PJ097359	GNNNNHHF 	C39H52N16O13	952.39	NA	PeJP	NA	NA
+PJ097360	GGGGGGGGGHHF 	C39H52N16O13	952.3901	NA	PeJP	NA	NA
+PJ097361	GSTMWWW 	C47H56N10O10S	952.3902	NA	PeJP	NA	NA
+PJ097362	SSSQEEMR 	C35H60N12O17S	952.392	NA	PeJP	NA	NA
+PJ097363	GGSSTEEMR 	C35H60N12O17S	952.3921	NA	PeJP	NA	NA
+PJ097364	GSSTTEWW 	C43H56N10O15	952.3927	NA	PeJP	NA	NA
+PJ097365	QQEMMMR 	C36H64N12O12S3	952.3929	NA	PeJP	NA	NA
+PJ097366	GSNDMHHR 	C36H56N16O13S	952.3934	NA	PeJP	NA	NA
+PJ097367	GDKMMWW 	C44H60N10O10S2	952.3936	NA	PeJP	NA	NA
+PJ097368	SSNHHWW 	C44H52N14O11	952.394	NA	PeJP	NA	NA
+PJ097369	GGDHHHFF 	C44H52N14O11	952.3941	NA	PeJP	NA	NA
+PJ097370	GCFFFFW 	C52H56N8O8S	952.3942	NA	PeJP	NA	NA
+PJ097371	GSSKEEMW 	C40H60N10O15S	952.3961	NA	PeJP	NA	NA
+PJ097372	GTTYYYW 	C48H56N8O13	952.3967	NA	PeJP	NA	NA
+PJ097373	GGSSCCQRR 	C33H60N16O13S2	952.3968	NA	PeJP	NA	NA
+PJ097374	VQQMMMW 	C41H64N10O10S3	952.3969	NA	PeJP	NA	NA
+PJ097375	GGGALMMMW 	C41H64N10O10S3	952.397	NA	PeJP	NA	NA
+PJ097376	CNNNFRW 	C41H56N14O11S	952.3974	NA	PeJP	NA	NA
+PJ097377	GSSSTKEEE 	C36H60N10O20	952.3986	NA	PeJP	NA	NA
+PJ097378	GTQKEEMM 	C37H64N10O15S2	952.3994	NA	PeJP	NA	NA
+PJ097379	GGATKEEMM 	C37H64N10O15S2	952.3995	NA	PeJP	NA	NA
+PJ097380	NDDDRRY 	C37H56N14O16	952.3999	NA	PeJP	NA	NA
+PJ097381	PVEEMYW 	C45H60N8O13S	952.4001	NA	PeJP	NA	NA
+PJ097382	GPQKMMMM 	C38H68N10O10S4	952.4003	NA	PeJP	NA	NA
+PJ097383	SCDMRRW 	C38H60N14O11S2	952.4008	NA	PeJP	NA	NA
+PJ097384	CKMMFFF 	C46H64N8O8S3	952.401	NA	PeJP	NA	NA
+PJ097385	DDHHHHR 	C38H52N18O12	952.4013	NA	PeJP	NA	NA
+PJ097386	PPCQHWW 	C46H56N12O9S	952.4014	NA	PeJP	NA	NA
+PJ097387	AALEEEEY 	C41H60N8O18	952.4026	NA	PeJP	NA	NA
+PJ097388	SSSDDMRR 	C34H60N14O16S	952.4033	NA	PeJP	NA	NA
+PJ097389	SPPVEMMY 	C42H64N8O13S2	952.4035	NA	PeJP	NA	NA
+PJ097390	GNEERYW 	C42H56N12O14	952.4039	NA	PeJP	NA	NA
+PJ097391	GGGGGGDKYW 	C42H56N12O14	952.404	NA	PeJP	NA	NA
+PJ097392	NDMMMRR 	C35H64N14O11S3	952.4041	NA	PeJP	NA	NA
+PJ097393	GGDMMMRR 	C35H64N14O11S3	952.4042	NA	PeJP	NA	NA
+PJ097394	GSMMRWW 	C43H60N12O9S2	952.4048	NA	PeJP	NA	NA
+PJ097395	AEHHHHW 	C43H52N16O10	952.4053	NA	PeJP	NA	NA
+PJ097396	MHFFWW 	C51H56N10O7S	952.4055	NA	PeJP	NA	NA
+PJ097397	TTTLEEEM 	C38H64N8O18S	952.406	NA	PeJP	NA	NA
+PJ097398	GLLEEMMM 	C39H68N8O13S3	952.4068	NA	PeJP	NA	NA
+PJ097399	GSSTEMRW 	C39H60N12O14S	952.4073	NA	PeJP	NA	NA
+PJ097400	SSTTWWW 	C47H56N10O12	952.4079	NA	PeJP	NA	NA
+PJ097401	AAQEYWW 	C47H56N10O12	952.408	NA	PeJP	NA	NA
+PJ097402	AQMMMRW 	C40H64N12O9S3	952.4082	NA	PeJP	NA	NA
+PJ097403	SCQHHRW 	C40H56N16O10S	952.4086	NA	PeJP	NA	NA
+PJ097404	GGTCHHRW 	C40H56N16O10S	952.4087	NA	PeJP	NA	NA
+PJ097405	GSSSTTEER 	C35H60N12O19	952.4098	NA	PeJP	NA	NA
+PJ097406	GSDKEMMR 	C36H64N12O14S2	952.4107	NA	PeJP	NA	NA
+PJ097407	SSSNEHHR 	C36H56N16O15	952.4111	NA	PeJP	NA	NA
+PJ097408	GGSSSEHHR 	C36H56N16O15	952.4112	NA	PeJP	NA	NA
+PJ097409	SSKEMWW 	C44H60N10O12S	952.4113	NA	PeJP	NA	NA
+PJ097410	GPCKMMMR 	C37H68N12O9S4	952.4116	NA	PeJP	NA	NA
+PJ097411	QFFYYW 	C52H56N8O10	952.412	NA	PeJP	NA	NA
+PJ097412	GCKHHWW 	C45H56N14O8S	952.4127	NA	PeJP	NA	NA
+PJ097413	SSSTKEEW 	C40H60N10O17	952.4138	NA	PeJP	NA	NA
+PJ097414	GGAAPPPEEE 	C40H60N10O17	952.4139	NA	PeJP	NA	NA
+PJ097415	GSSSSCNRR 	C33H60N16O15S	952.4145	NA	PeJP	NA	NA
+PJ097416	TQKEMMW 	C41H64N10O12S2	952.4147	NA	PeJP	NA	NA
+PJ097417	SNNNRYW 	C41H56N14O13	952.4152	NA	PeJP	NA	NA
+PJ097418	KMYYYW 	C49H60N8O10S	952.4153	NA	PeJP	NA	NA
+PJ097419	PPEMFFW 	C49H60N8O10S	952.4154	NA	PeJP	NA	NA
+PJ097420	SSDKKEEM 	C37H64N10O17S	952.4172	NA	PeJP	NA	NA
+PJ097421	STKEYYY 	C45H60N8O15	952.4178	NA	PeJP	NA	NA
+PJ097422	VVEEEYW 	C45H60N8O15	952.4179	NA	PeJP	NA	NA
+PJ097423	GVQKEMMM 	C38H68N10O12S3	952.4181	NA	PeJP	NA	NA
+PJ097424	GSPCDRRY 	C38H60N14O13S	952.4185	NA	PeJP	NA	NA
+PJ097425	GGGGGAQMRY 	C38H60N14O13S	952.4186	NA	PeJP	NA	NA
+PJ097426	PLEMMFW 	C46H64N8O10S2	952.4187	NA	PeJP	NA	NA
+PJ097427	NERYWW 	C46H56N12O11	952.4192	NA	PeJP	NA	NA
+PJ097428	ACMMRRW 	C39H64N14O8S3	952.4194	NA	PeJP	NA	NA
+PJ097429	SSSSSSQQR 	C34H60N14O18	952.421	NA	PeJP	NA	NA
+PJ097430	APTLEEMY 	C42H64N8O15S	952.4212	NA	PeJP	NA	NA
+PJ097431	GSSEMMRR 	C35H64N14O13S2	952.4219	NA	PeJP	NA	NA
+PJ097432	LLEMMMW 	C43H68N8O10S3	952.4221	NA	PeJP	NA	NA
+PJ097433	GNNNNQHR 	C35H56N18O14	952.4224	NA	PeJP	NA	NA
+PJ097434	SSTMRWW 	C43H60N12O11S	952.4225	NA	PeJP	NA	NA
+PJ097435	TTTCRWW 	C43H60N12O11S	952.4226	NA	PeJP	NA	NA
+PJ097436	VNYWWW 	C51H56N10O9	952.4232	NA	PeJP	NA	NA
+PJ097437	CNMHHRR 	C36H60N18O9S2	952.4233	NA	PeJP	NA	NA
+PJ097438	STLLEEMM 	C39H68N8O15S2	952.4246	NA	PeJP	NA	NA
+PJ097439	ASSSSSNKW 	C39H60N12O16	952.425	NA	PeJP	NA	NA
+PJ097440	SSSTTERW 	C39H60N12O16	952.4251	NA	PeJP	NA	NA
+PJ097441	SPLLMMMM 	C40H72N8O10S4	952.4255	NA	PeJP	NA	NA
+PJ097442	SDKMMRW 	C40H64N12O11S2	952.4259	NA	PeJP	NA	NA
+PJ097443	GGGGPCCKKF 	C40H64N12O11S2	952.426	NA	PeJP	NA	NA
+PJ097444	GSSSHHRW 	C40H56N16O12	952.4264	NA	PeJP	NA	NA
+PJ097445	APCKYWW 	C48H60N10O9S	952.4266	NA	PeJP	NA	NA
+PJ097446	SSSKEEMR 	C36H64N12O16S	952.4284	NA	PeJP	NA	NA
+PJ097447	SSSSTLWW 	C44H60N10O14	952.4291	NA	PeJP	NA	NA
+PJ097448	QKEMMMR 	C37H68N12O11S3	952.4293	NA	PeJP	NA	NA
+PJ097449	CNNQRRY 	C37H60N16O12S	952.4298	NA	PeJP	NA	NA
+PJ097450	ATKMMWW 	C45H64N10O9S2	952.4299	NA	PeJP	NA	NA
+PJ097451	VTCKMWW 	C45H64N10O9S2	952.43	NA	PeJP	NA	NA
+PJ097452	GPDHRWW 	C45H56N14O10	952.4304	NA	PeJP	NA	NA
+PJ097453	ASTTKEMW 	C41H64N10O14S	952.4324	NA	PeJP	NA	NA
+PJ097454	GTTTKEMW 	C41H64N10O14S	952.4325	NA	PeJP	NA	NA
+PJ097455	PPVEYYW 	C49H60N8O12	952.4331	NA	PeJP	NA	NA
+PJ097456	GGSSCCKRR 	C34H64N16O12S2	952.4332	NA	PeJP	NA	NA
+PJ097457	VQKMMMW 	C42H68N10O9S3	952.4333	NA	PeJP	NA	NA
+PJ097458	GCEFRRW 	C42H60N14O10S	952.4338	NA	PeJP	NA	NA
+PJ097459	GRYWWW 	C50H56N12O8	952.4344	NA	PeJP	NA	NA
+PJ097460	SSSSSLKEE 	C37H64N10O19	952.4349	NA	PeJP	NA	NA
+PJ097461	ASSTTTKEE 	C37H64N10O19	952.435	NA	PeJP	NA	NA
+PJ097462	GTKKEEMM 	C38H68N10O14S2	952.4358	NA	PeJP	NA	NA
+PJ097463	SNEERRY 	C38H60N14O15	952.4363	NA	PeJP	NA	NA
+PJ097464	VLEEMFW 	C46H64N8O12S	952.4365	NA	PeJP	NA	NA
+PJ097465	GPKKMMMM 	C39H72N10O9S4	952.4367	NA	PeJP	NA	NA
+PJ097466	SSMMRRW 	C39H64N14O10S2	952.4372	NA	PeJP	NA	NA
+PJ097467	TEHHHHR 	C39H56N18O11	952.4376	NA	PeJP	NA	NA
+PJ097468	GGGSKHHHH 	C39H56N18O11	952.4377	NA	PeJP	NA	NA
+PJ097469	QMFRWW 	C47H60N12O8S	952.4378	NA	PeJP	NA	NA
+PJ097470	GTLLEEEY 	C42H64N8O17	952.439	NA	PeJP	NA	NA
+PJ097471	SSSTEMRR 	C35H64N14O15S	952.4397	NA	PeJP	NA	NA
+PJ097472	PPTTLMMY 	C43H68N8O12S2	952.4398	NA	PeJP	NA	NA
+PJ097473	GPLLEMMY 	C43H68N8O12S2	952.4399	NA	PeJP	NA	NA
+PJ097474	GDKERYW 	C43H60N12O13	952.4403	NA	PeJP	NA	NA
+PJ097475	GGGGGGGGALFF 	C43H60N12O13	952.4404	NA	PeJP	NA	NA
+PJ097476	TQMMMRR 	C36H68N14O10S3	952.4405	NA	PeJP	NA	NA
+PJ097477	GGACCKKMR 	C36H68N14O10S3	952.4406	NA	PeJP	NA	NA
+PJ097478	GSTCHHRR 	C36H60N18O11S	952.441	NA	PeJP	NA	NA
+PJ097479	VLMMHHW 	C44H64N12O8S2	952.4412	NA	PeJP	NA	NA
+PJ097480	GNHHFRW 	C44H56N16O9	952.4417	NA	PeJP	NA	NA
+PJ097481	SVLLEMMM 	C40H72N8O12S3	952.4432	NA	PeJP	NA	NA
+PJ097482	SSSSLMRW 	C40H64N12O13S	952.4437	NA	PeJP	NA	NA
+PJ097483	AAKEYWW 	C48H60N10O11	952.4443	NA	PeJP	NA	NA
+PJ097484	GPPPVDWW 	C48H60N10O11	952.4444	NA	PeJP	NA	NA
+PJ097485	AKMMMRW 	C41H68N12O8S3	952.4446	NA	PeJP	NA	NA
+PJ097486	SCKHHRW 	C41H60N16O9S	952.445	NA	PeJP	NA	NA
+PJ097487	SSSSSTLER 	C36H64N12O18	952.4462	NA	PeJP	NA	NA
+PJ097488	GTTKEMMR 	C37H68N12O13S2	952.4471	NA	PeJP	NA	NA
+PJ097489	GSSNNRRY 	C37H60N16O14	952.4475	NA	PeJP	NA	NA
+PJ097490	GGGGGVQEHR 	C37H60N16O14	952.4476	NA	PeJP	NA	NA
+PJ097491	TTTKMWW 	C45H64N10O11S	952.4477	NA	PeJP	NA	NA
+PJ097492	KFFYYW 	C53H60N8O9	952.4484	NA	PeJP	NA	NA
+PJ097493	CFRRWW 	C46H60N14O7S	952.4491	NA	PeJP	NA	NA
+PJ097494	STTTTKEW 	C41H64N10O16	952.4502	NA	PeJP	NA	NA
+PJ097495	TKKEMMW 	C42H68N10O11S2	952.4511	NA	PeJP	NA	NA
+PJ097496	PTQEHRW 	C42H60N14O12	952.4515	NA	PeJP	NA	NA
+PJ097497	GSERRYW 	C42H60N14O12	952.4516	NA	PeJP	NA	NA
+PJ097498	PPLMFYW 	C50H64N8O9S	952.4517	NA	PeJP	NA	NA
+PJ097499	TCMMRRR 	C35H68N16O9S3	952.4518	NA	PeJP	NA	NA
+PJ097500	STTKKEEM 	C38H68N10O16S	952.4536	NA	PeJP	NA	NA
+C15691	Anabaenopeptilide 90A	C46H64N8O14	952.4542	NA	KEGG	NA	NA
+PJ097501	TLLEEYW 	C46H64N8O14	952.4542	NA	PeJP	NA	NA
+PJ097502	GVKKEMMM 	C39H72N10O11S3	952.4545	NA	PeJP	NA	NA
+PJ097503	AQEMRRY 	C39H64N14O12S	952.4549	NA	PeJP	NA	NA
+PJ097504	GGGGGAPPPMR 	C39H64N14O12S	952.455	NA	PeJP	NA	NA
+PJ097505	PLLMMYW 	C47H68N8O9S2	952.4551	NA	PeJP	NA	NA
+PJ097506	DKRYWW 	C47H60N12O10	952.4556	NA	PeJP	NA	NA
+PJ097507	VMHHHHR 	C40H60N18O8S	952.4563	NA	PeJP	NA	NA
+PJ097508	SSSSSSQKR 	C35H64N14O17	952.4574	NA	PeJP	NA	NA
+PJ097509	GVLLEEMY 	C43H68N8O14S	952.4576	NA	PeJP	NA	NA
+PJ097510	GTTTMMRR 	C36H68N14O12S2	952.4583	NA	PeJP	NA	NA
+PJ097511	APLLMMMF 	C44H72N8O9S3	952.4585	NA	PeJP	NA	NA
+PJ097512	SSSSHHRR 	C36H60N18O13	952.4588	NA	PeJP	NA	NA
+PJ097513	GLQMRYW 	C44H64N12O10S	952.4589	NA	PeJP	NA	NA
+PJ097514	GGALMRYW 	C44H64N12O10S	952.459	NA	PeJP	NA	NA
+PJ097515	TKFWWW 	C52H60N10O8	952.4596	NA	PeJP	NA	NA
+PJ097516	STTTTTRW 	C40H64N12O15	952.4614	NA	PeJP	NA	NA
+PJ097517	GATKEERY 	C40H64N12O15	952.4615	NA	PeJP	NA	NA
+PJ097518	ALLLMMMM 	C41H76N8O9S4	952.4619	NA	PeJP	NA	NA
+3417	ACE inhibitor	PTHIKWGD	952.4619	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ097519	TTKMMRW 	C41H68N12O10S2	952.4623	NA	PeJP	NA	NA
+PJ097520	SPDHRRW 	C41H60N16O11	952.4628	NA	PeJP	NA	NA
+PJ097521	GVKMFWW 	C49H64N10O8S	952.463	NA	PeJP	NA	NA
+PJ097522	STTTKEMR 	C37H68N12O15S	952.4648	NA	PeJP	NA	NA
+PJ097523	AKKEEYW 	C45H64N10O13	952.4655	NA	PeJP	NA	NA
+PJ097524	KKEMMMR 	C38H72N12O10S3	952.4657	NA	PeJP	NA	NA
+PJ097525	GDMRRRY 	C38H64N16O11S	952.4662	NA	PeJP	NA	NA
+PJ097526	LKMMHFF 	C46H68N10O8S2	952.4663	NA	PeJP	NA	NA
+MJ098528	12-Oleanene-3,22,30-triol, 30-Carboxylic acid, 30?22-lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H72O19	952.46678	NA	MeJP	NA	NA
+MJ098529	16,23-Epoxycholest-24-ene-1,3,11,19,22-pentol, 3-O-(3,4,5-Trimethoxybenzoyl), 22-O-[?-L-arabinopyranosyl-(1?4)-?-D-glucopyranoside] 	C48H72O19	952.46678	NA	MeJP	NA	NA
+MJ098530	Stauntogenin; 3-O-[?-L-Diginopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-thevetopyranoside] 	C48H72O19	952.46678	NA	MeJP	NA	NA
+PJ097527	SRRYWW 	C46H60N14O9	952.4668	NA	PeJP	NA	NA
+PJ097528	SSTTLKMW 	C42H68N10O13S	952.4688	NA	PeJP	NA	NA
+PJ097529	GGGVLKEMY 	C42H68N10O13S	952.4689	NA	PeJP	NA	NA
+PJ097530	PVLEFYW 	C50H64N8O11	952.4695	NA	PeJP	NA	NA
+PJ097531	VKKMMMW 	C43H72N10O8S3	952.4697	NA	PeJP	NA	NA
+PJ097532	AAMRRYW 	C43H64N14O9S	952.4702	NA	PeJP	NA	NA
+PJ097533	SSSTTTLKE 	C38H68N10O18	952.4713	NA	PeJP	NA	NA
+PJ097534	SSLKKEMM 	C39H72N10O13S2	952.4722	NA	PeJP	NA	NA
+PJ097535	SDKERRY 	C39H64N14O14	952.4727	NA	PeJP	NA	NA
+PJ097536	VLLEMYW 	C47H68N8O11S	952.4729	NA	PeJP	NA	NA
+PJ097537	PCKMRRY 	C40H68N14O9S2	952.4736	NA	PeJP	NA	NA
+PJ097538	GNQHRRW 	C40H60N18O10	952.474	NA	PeJP	NA	NA
+PJ097539	KMFRWW 	C48H64N12O7S	952.4742	NA	PeJP	NA	NA
+PJ097540	SSLLLEEY 	C43H68N8O16	952.4754	NA	PeJP	NA	NA
+PJ097541	STTTTMRR 	C36H68N14O14S	952.476	NA	PeJP	NA	NA
+PJ097542	GSSSTCKKR 	C36H68N14O14S	952.4761	NA	PeJP	NA	NA
+PJ097543	SPVLLMMY 	C44H72N8O11S2	952.4762	NA	PeJP	NA	NA
+PJ097544	ATKERYW 	C44H64N12O12	952.4767	NA	PeJP	NA	NA
+PJ097545	TKMMMRR 	C37H72N14O9S3	952.4769	NA	PeJP	NA	NA
+PJ097546	PCEHRRR 	C37H64N18O10S	952.4774	NA	PeJP	NA	NA
+PJ097547	TTLLLMMM 	C41H76N8O11S3	952.4796	NA	PeJP	NA	NA
+PJ097548	SSSCKKKW 	C41H68N12O12S	952.4801	NA	PeJP	NA	NA
+PJ097549	GTLKYWW 	C49H64N10O10	952.4807	NA	PeJP	NA	NA
+PJ097550	APMHRRW 	C42H64N16O8S	952.4814	NA	PeJP	NA	NA
+PJ097551	SSSTTTTLR 	C37H68N12O17	952.4826	NA	PeJP	NA	NA
+7567	ACE inhibitor	KVREGTTY	952.483	antioxidative	Inhouse_peptide	NA	peptide
+PJ097552	SSTLKMMR 	C38H72N12O12S2	952.4834	NA	PeJP	NA	NA
+PJ097553	GGSSKKKMM 	C38H72N12O12S2	952.4835	NA	PeJP	NA	NA
+PJ097554	SSERRRY 	C38H64N16O13	952.4839	NA	PeJP	NA	NA
+PJ097555	GGGGGGGGPPKR 	C38H64N16O13	952.484	NA	PeJP	NA	NA
+PJ097556	PTKKMYW 	C46H68N10O10S	952.4841	NA	PeJP	NA	NA
+PJ097557	PPLFFFW 	C54H64N8O8	952.4848	NA	PeJP	NA	NA
+PJ097558	PNHHHRR 	C39H60N20O9	952.4853	NA	PeJP	NA	NA
+PJ097559	KKKEEEY 	C42H68N10O15	952.4866	NA	PeJP	NA	NA
+PJ097560	GPVKKMMY 	C43H72N10O10S2	952.4875	NA	PeJP	NA	NA
+PJ097561	ATTRRYW 	C43H64N14O11	952.4879	NA	PeJP	NA	NA
+MJ098531	Furostane-2,3,6,22,26-pentol, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C45H76O21	952.487909	NA	MeJP	NA	NA
+PJ097562	GGVLEHRW 	C43H64N14O11	952.488	NA	PeJP	NA	NA
+PJ097563	PLLMFFW 	C51H68N8O8S	952.4881	NA	PeJP	NA	NA
+PJ097564	SSSSTLLKM 	C39H72N10O15S	952.49	NA	PeJP	NA	NA
+PJ097565	GPVLLEYY 	C47H68N8O13	952.4906	NA	PeJP	NA	NA
+PJ097566	ATLKKMMM 	C40H76N10O10S3	952.4908	NA	PeJP	NA	NA
+PJ097567	AKEMRRY 	C40H68N14O11S	952.4913	NA	PeJP	NA	NA
+PJ097568	LLLMMFW 	C48H72N8O8S2	952.4915	NA	PeJP	NA	NA
+PJ097569	SPLKHWW 	C48H64N12O9	952.492	NA	PeJP	NA	NA
+PJ097570	SSSSSSKKR 	C36H68N14O16	952.4938	NA	PeJP	NA	NA
+PJ097571	ATLLLEMY 	C44H72N8O13S	952.494	NA	PeJP	NA	NA
+PJ097572	STCCKKKR 	C37H72N14O11S2	952.4947	NA	PeJP	NA	NA
+PJ097573	TQQQHRR 	C37H64N18O12	952.4951	NA	PeJP	NA	NA
+PJ097574	AEEHRRR 	C37H64N18O12	952.4952	NA	PeJP	NA	NA
+PJ097575	GLKMRYW 	C45H68N12O9S	952.4953	NA	PeJP	NA	NA
+PJ097576	TKKEERY 	C41H68N12O14	952.4978	NA	PeJP	NA	NA
+PJ097577	GGPPVLEER 	C41H68N12O14	952.4979	NA	PeJP	NA	NA
+PJ097578	PKKMMRY 	C42H72N12O9S2	952.4987	NA	PeJP	NA	NA
+PJ097579	GLEHRRW 	C42H64N16O10	952.4992	NA	PeJP	NA	NA
+PJ097580	GSSSTKKKM 	C38H72N12O14S	952.5012	NA	PeJP	NA	NA
+PJ097581	SLKKEYW 	C46H68N10O12	952.5018	NA	PeJP	NA	NA
+MJ098532	Cyanoginosin; Cyanoginosin AR 	C46H68N10O12	952.501817	NA	MeJP	NA	NA
+PJ097582	TLDKKYW 	C46H68N10O12	952.5019	NA	PeJP	NA	NA
+PJ097583	GCKKKKMM 	C39H76N12O9S3	952.5021	NA	PeJP	NA	NA
+PJ097584	ATMRRRY 	C39H68N16O10S	952.5025	NA	PeJP	NA	NA
+PJ097585	PKEMHRR 	C39H68N16O10S	952.5026	NA	PeJP	NA	NA
+MJ098533	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Tigloyl, 11-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H76O18	952.503165	NA	MeJP	NA	NA
+PJ097586	GVLHRWW 	C47H64N14O8	952.5032	NA	PeJP	NA	NA
+PJ097587	AALKKEMY 	C43H72N10O12S	952.5052	NA	PeJP	NA	NA
+PJ097588	PVLLYYW 	C51H68N8O10	952.5059	NA	PeJP	NA	NA
+PJ097589	SNQHRRR 	C36H64N20O11	952.5064	NA	PeJP	NA	NA
+PJ097590	PVKMHRW 	C44H68N14O8S	952.5066	NA	PeJP	NA	NA
+PJ097591	STTTTTTLK 	C39H72N10O17	952.5077	NA	PeJP	NA	NA
+PJ097592	TTTLKKMM 	C40H76N10O12S2	952.5086	NA	PeJP	NA	NA
+PJ097593	TTKERRY 	C40H68N14O13	952.5091	NA	PeJP	NA	NA
+PJ097594	GPLLLMFY 	C48H72N8O10S	952.5093	NA	PeJP	NA	NA
+PJ097595	CLKMFRR 	C41H72N14O8S2	952.5099	NA	PeJP	NA	NA
+PJ097596	GNKHRRW 	C41H64N18O9	952.5104	NA	PeJP	NA	NA
+PJ097597	TTTLLLEY 	C44H72N8O15	952.5117	NA	PeJP	NA	NA
+PJ097598	GLLLLMMY 	C45H76N8O10S2	952.5126	NA	PeJP	NA	NA
+PJ097599	STLKRYW 	C45H68N12O11	952.5131	NA	PeJP	NA	NA
+PJ097600	PTMHRRR 	C38H68N18O9S	952.5138	NA	PeJP	NA	NA
+PJ097601	LHRRWW 	C46H64N16O7	952.5144	NA	PeJP	NA	NA
+3053	indolicidin from bovine granulocytes	ILPWKWPWWPWRR~	952.5155	MH2+	Inhouse_peptide	NA	peptide
+PJ097602	VKKEMRY 	C42H72N12O11S	952.5165	NA	PeJP	NA	NA
+PJ097603	AAPPLLWW 	C50H68N10O9	952.5171	NA	PeJP	NA	NA
+MJ098534	Sorangicin A, O21-?-D-(6-Deoxyglucopyranoside) 	C53H76O15	952.518421	NA	MeJP	NA	NA
+MJ098535	Sorangicin A; 22-Deoxy, O21-?-D-Glucopyranoside 	C53H76O15	952.518421	NA	MeJP	NA	NA
+MJ098536	Sorangicin A; O21-?-D-(6-Deoxyglucopyranoside) 	C53H76O15	952.518421	NA	MeJP	NA	NA
+PJ097604	SSSSTTKKK 	C38H72N12O16	952.5189	NA	PeJP	NA	NA
+PJ097605	STCKKKKM 	C39H76N12O11S2	952.5198	NA	PeJP	NA	NA
+PJ097606	TTTRRRY 	C39H68N16O12	952.5203	NA	PeJP	NA	NA
+PJ097607	VVKKMYW 	C47H72N10O9S	952.5205	NA	PeJP	NA	NA
+PJ097608	ATTLKKEY 	C43H72N10O14	952.523	NA	PeJP	NA	NA
+PJ097609	GVLKKMMF 	C44H76N10O9S2	952.5239	NA	PeJP	NA	NA
+PJ097610	PPLERRW 	C44H68N14O10	952.5243	NA	PeJP	NA	NA
+PJ097611	APTLLLYY 	C48H72N8O12	952.527	NA	PeJP	NA	NA
+PJ097612	SLKMRRY 	C41H72N14O10S	952.5277	NA	PeJP	NA	NA
+PJ097613	VVVKHWW 	C49H68N12O8	952.5283	NA	PeJP	NA	NA
+PJ097614	PPVLRWW 	C49H68N12O8	952.5284	NA	PeJP	NA	NA
+PJ097615	STLLLLMY 	C45H76N8O12S	952.5304	NA	PeJP	NA	NA
+PJ097616	SLEHRRR 	C38H68N18O11	952.5315	NA	PeJP	NA	NA
+PJ097617	GGGPPTRRR 	C38H68N18O11	952.5316	NA	PeJP	NA	NA
+PJ097618	PKKMFFR 	C46H72N12O8S	952.5317	NA	PeJP	NA	NA
+PJ097619	SSSLLKRY 	C42H72N12O13	952.5342	NA	PeJP	NA	NA
+PJ097620	GGGGGGGPVLLL 	C42H72N12O13	952.5343	NA	PeJP	NA	NA
+PJ097621	LKKMMFR 	C43H76N12O8S2	952.5351	NA	PeJP	NA	NA
+PJ097622	SVLHRRW 	C43H68N16O9	952.5356	NA	PeJP	NA	NA
+PJ097623	SPPLLLQW 	C47H72N10O11	952.5382	NA	PeJP	NA	NA
+PJ097624	APPLLKEW 	C47H72N10O11	952.5383	NA	PeJP	NA	NA
+PJ097625	LLQMHRR 	C40H72N16O9S	952.5389	NA	PeJP	NA	NA
+MJ098537	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C50H80O17	952.539551	NA	MeJP	NA	NA
+PJ097626	GTLLKKMY 	C44H76N10O11S	952.5416	NA	PeJP	NA	NA
+PJ097627	VLLLFYW 	C52H72N8O9	952.5423	NA	PeJP	NA	NA
+PJ097628	SNKHRRR 	C37H68N20O10	952.5428	NA	PeJP	NA	NA
+PJ097629	SPPLQQKR 	C41H72N14O12	952.5454	NA	PeJP	NA	NA
+PJ097630	GSSKKKRY 	C41H72N14O12	952.5455	NA	PeJP	NA	NA
+PJ097631	GLLLLMFF 	C49H76N8O9S	952.5456	NA	PeJP	NA	NA
+PJ097632	FRRRRY 	C42H68N18O8	952.5468	NA	PeJP	NA	NA
+MJ098538	Polyoxypeptin A; 4''-Deoxy 	C45H76N8O14	952.548099	NA	MeJP	NA	NA
+PJ097633	APPTLLRW 	C46H72N12O10	952.5495	NA	PeJP	NA	NA
+PJ097634	VVMHRRR 	C39H72N18O8S	952.5502	NA	PeJP	NA	NA
+PJ097635	QKKKKMY 	C43H76N12O10S	952.5528	NA	PeJP	NA	NA
+PJ097636	GAKKKKMY 	C43H76N12O10S	952.5529	NA	PeJP	NA	NA
+PJ097637	VVKKFFW 	C51H72N10O8	952.5535	NA	PeJP	NA	NA
+PJ097638	GTTLLHRR 	C40H72N16O11	952.5567	NA	PeJP	NA	NA
+PJ097639	STTLLKKY 	C44H76N10O13	952.5594	NA	PeJP	NA	NA
+PJ097640	TLLKHRW 	C45H72N14O9	952.5607	NA	PeJP	NA	NA
+PJ097641	GVLLLLYY 	C49H76N8O11	952.5634	NA	PeJP	NA	NA
+PJ097642	CKKKKRY 	C42H76N14O9S	952.5641	NA	PeJP	NA	NA
+PJ097643	GSPPKRRR 	C39H72N18O10	952.5679	NA	PeJP	NA	NA
+PJ097644	GTTKKKKY 	C43H76N12O12	952.5706	NA	PeJP	NA	NA
+PJ097645	AKKKHRW 	C44H72N16O8	952.5719	NA	PeJP	NA	NA
+PJ097646	SPPLLLKW 	C48H76N10O10	952.5746	NA	PeJP	NA	NA
+PJ097647	LLKMHRR 	C41H76N16O8S	952.5753	NA	PeJP	NA	NA
+PJ097648	TLLLLLMH 	C45H80N10O10S	952.578	NA	PeJP	NA	NA
+PJ097649	PVNRRRR 	C38H72N20O9	952.5792	NA	PeJP	NA	NA
+PJ097650	PPTTLLRR 	C42H76N14O11	952.5818	NA	PeJP	NA	NA
+PJ097651	GPLLLERR 	C42H76N14O11	952.5819	NA	PeJP	NA	NA
+PJ097652	GPVLLLRW 	C47H76N12O9	952.5859	NA	PeJP	NA	NA
+PJ097653	KKKKKMY 	C44H80N12O9S	952.5892	NA	PeJP	NA	NA
+PJ097654	GPRRRRR 	C37H72N22O8	952.5904	NA	PeJP	NA	NA
+PJ097655	APPTKKRR 	C41H76N16O10	952.5931	NA	PeJP	NA	NA
+PJ097656	PLLLLQKE 	C45H80N10O12	952.5958	NA	PeJP	NA	NA
+PJ097657	PLLLRRW 	C46H76N14O8	952.5971	NA	PeJP	NA	NA
+PJ097658	PLQKRRR 	C40H76N18O9	952.6043	NA	PeJP	NA	NA
+PJ097659	PVVLLKER 	C44H80N12O11	952.607	NA	PeJP	NA	NA
+PJ097660	APLLLLKW 	C49H80N10O9	952.611	NA	PeJP	NA	NA
+PJ097661	SPVLLLRR 	C43H80N14O10	952.6182	NA	PeJP	NA	NA
+PJ097662	KKKKKFF 	C48H80N12O8	952.6222	NA	PeJP	NA	NA
+PJ097663	GPVLKKRR 	C42H80N16O9	952.6295	NA	PeJP	NA	NA
+PJ097664	SPVVVVLLK 	C46H84N10O11	952.6321	NA	PeJP	NA	NA
+PJ097665	PLLLLKKE 	C46H84N10O11	952.6322	NA	PeJP	NA	NA
+PJ097666	PLKKRRR 	C41H80N18O8	952.6407	NA	PeJP	NA	NA
+PJ097667	PTLLLLKR 	C45H84N12O10	952.6434	NA	PeJP	NA	NA
+PJ097668	GLLLLLRR 	C44H84N14O9	952.6546	NA	PeJP	NA	NA
+PJ097669	LLLLLLQK 	C47H88N10O10	952.6685	NA	PeJP	NA	NA
+PJ097670	VVLLLLKR 	C46H88N12O9	952.6798	NA	PeJP	NA	NA
+PJ097671	LLLLLLKK 	C48H92N10O9	952.7049	NA	PeJP	NA	NA
+HMDB10326	Thyroxine glucuronide	C21H19I4NO10	952.718811	NA	HMDB2010	NA	NA
+HMDB10526	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H100O6	952.752014	NA	HMDB2010	NA	NA
+HMDB10529	TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C63H100O6	952.752014	NA	HMDB2010	NA	NA
+HMDB10534	TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C63H100O6	952.752014	NA	HMDB2010	NA	NA
+HMDB10543	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C63H100O6	952.752014	NA	HMDB2010	NA	NA
+5345	Indolicidin	ILPWKWPWWPWRR	953.0075	MH2+	Inhouse_peptide	NA	peptide
+C15547	1,4-Dihydroxy-2-naphthoyl-CoA	C32H42N7O19P3S	953.1469	NA	KEGG	NA	NA
+PJ097672	SCCCCCCDD 	C29H47N9O15S6	953.1516	NA	PeJP	NA	NA
+PJ097673	GCCCCCCEM 	C30H51N9O12S7	953.1703	NA	PeJP	NA	NA
+PJ097674	CCCCCCMW 	C34H51N9O9S7	953.1855	NA	PeJP	NA	NA
+PJ097675	SSCCCCCDM 	C30H51N9O14S6	953.188	NA	PeJP	NA	NA
+PJ097676	GPCCCCCCY 	C34H51N9O11S6	953.2033	NA	PeJP	NA	NA
+PJ097677	GTCCCCCMM 	C31H55N9O11S7	953.2066	NA	PeJP	NA	NA
+PJ097678	CCCCNDMY 	C34H51N9O13S5	953.221	NA	PeJP	NA	NA
+PJ097679	SSSCCCCMM 	C31H55N9O13S6	953.2244	NA	PeJP	NA	NA
+PJ097680	GSCCCDDDH 	C32H47N11O17S3	953.2314	NA	PeJP	NA	NA
+PJ097681	GPCCCCCEH 	C33H51N11O12S5	953.2323	NA	PeJP	NA	NA
+PJ097682	ACCCCCYW 	C38H51N9O10S5	953.2363	NA	PeJP	NA	NA
+PJ097683	GPCCDDDDD 	C33H47N9O20S2	953.2379	NA	PeJP	NA	NA
+PJ097684	GSSCCCCEY 	C34H51N9O15S4	953.2388	NA	PeJP	NA	NA
+PJ097685	CCCCNMMF 	C35H55N9O10S6	953.2397	NA	PeJP	NA	NA
+PJ097686	PCCCCCHW 	C37H51N11O9S5	953.2475	NA	PeJP	NA	NA
+PJ097687	CCCNDEMH 	C33H51N11O14S4	953.25	NA	PeJP	NA	NA
+PJ097688	SSCCCCYW 	C38H51N9O12S4	953.254	NA	PeJP	NA	NA
+PJ097689	GGCCCCDFF 	C38H51N9O12S4	953.2541	NA	PeJP	NA	NA
+PJ097690	NDDDDDDM 	C33H47N9O22S	953.2557	NA	PeJP	NA	NA
+PJ097691	SSSSCCCDY 	C34H51N9O17S3	953.2565	NA	PeJP	NA	NA
+PJ097692	SPPCCCDDD 	C34H51N9O17S3	953.2566	NA	PeJP	NA	NA
+PJ097693	SCCCNMMY 	C35H55N9O12S5	953.2574	NA	PeJP	NA	NA
+PJ097694	ASCCCCNNH 	C32H51N13O13S4	953.2612	NA	PeJP	NA	NA
+PJ097695	CCCCDDHR 	C32H51N13O13S4	953.2613	NA	PeJP	NA	NA
+PJ097696	GCCCDMHW 	C37H51N11O11S4	953.2653	NA	PeJP	NA	NA
+PJ097697	GSCNNDDDD 	C32H47N11O21S	953.2669	NA	PeJP	NA	NA
+PJ097698	GSSCCDDMH 	C33H51N11O16S3	953.2678	NA	PeJP	NA	NA
+PJ097699	TCCCCCRY 	C34H55N11O11S5	953.2686	NA	PeJP	NA	NA
+PJ097700	GPTCCCCMH 	C34H55N11O11S5	953.2687	NA	PeJP	NA	NA
+MJ098539	Promothiocin B 	C42H43N13O10S2	953.269726	NA	MeJP	NA	NA
+PJ097701	GCDDDDEW 	C37H47N9O19S	953.2709	NA	PeJP	NA	NA
+PJ097702	GCCCNEYY 	C38H51N9O14S3	953.2718	NA	PeJP	NA	NA
+PJ097703	GSSDDDDDE 	C33H47N9O24	953.2734	NA	PeJP	NA	NA
+PJ097704	GSPCDDDDM 	C34H51N9O19S2	953.2743	NA	PeJP	NA	NA
+PJ097705	GSSTCCCMY 	C35H55N9O14S4	953.2752	NA	PeJP	NA	NA
+PJ097706	SSSCCCNNH 	C32H51N13O15S3	953.279	NA	PeJP	NA	NA
+PJ097707	SSCCCEHW 	C37H51N11O13S3	953.283	NA	PeJP	NA	NA
+PJ097708	SSSSCCDEH 	C33H51N11O18S2	953.2855	NA	PeJP	NA	NA
+PJ097709	GGGGCNDDEM 	C33H51N11O18S2	953.2856	NA	PeJP	NA	NA
+PJ097710	CDDDDWW 	C41H47N9O16S	953.2862	NA	PeJP	NA	NA
+PJ097711	SCCNEMMH 	C34H55N11O13S4	953.2864	NA	PeJP	NA	NA
+PJ097712	CCCNYYW 	C42H51N9O11S3	953.287	NA	PeJP	NA	NA
+PJ097713	GGCCCYYW 	C42H51N9O11S3	953.2871	NA	PeJP	NA	NA
+PJ097714	SSDDDDDW 	C37H47N9O21	953.2887	NA	PeJP	NA	NA
+PJ097715	SSCCNDYY 	C38H51N9O16S2	953.2895	NA	PeJP	NA	NA
+PJ097716	SPCCDDEW 	C38H51N9O16S2	953.2896	NA	PeJP	NA	NA
+PJ097717	PPCCCDMW 	C39H55N9O11S4	953.2904	NA	PeJP	NA	NA
+PJ097718	SNDDDEEM 	C34H51N9O21S	953.2921	NA	PeJP	NA	NA
+PJ097719	SSSSSCCMY 	C35H55N9O16S3	953.2929	NA	PeJP	NA	NA
+PJ097720	TCCCCKMY 	C36H59N9O11S5	953.2938	NA	PeJP	NA	NA
+PJ097721	CCCNNNHF 	C36H51N13O12S3	953.2943	NA	PeJP	NA	NA
+PJ097722	CCNNDDDR 	C32H51N13O17S2	953.2968	NA	PeJP	NA	NA
+PJ097723	CDEMMYY 	C40H55N7O14S3	953.2969	NA	PeJP	NA	NA
+PJ097724	SCCCDMHR 	C33H55N13O12S4	953.2976	NA	PeJP	NA	NA
+PJ097725	GCNNDDMW 	C37H51N11O15S2	953.3008	NA	PeJP	NA	NA
+PJ097726	GSCCMMHW 	C38H55N11O10S4	953.3017	NA	PeJP	NA	NA
+PJ097727	SCDDDDER 	C33H51N11O20S	953.3033	NA	PeJP	NA	NA
+PJ097728	PCCDDDMR 	C34H55N11O15S3	953.3042	NA	PeJP	NA	NA
+PJ097729	GCNMMMMH 	C35H59N11O10S5	953.305	NA	PeJP	NA	NA
+PJ097730	SCCCQHHH 	C35H51N15O11S3	953.3055	NA	PeJP	NA	NA
+PJ097731	GSDDDEMW 	C38H51N9O18S	953.3073	NA	PeJP	NA	NA
+PJ097732	GPCDDMMW 	C39H55N9O13S3	953.3082	NA	PeJP	NA	NA
+PJ097733	GSSSDDEEE 	C34H51N9O23	953.3098	NA	PeJP	NA	NA
+PJ097734	GNDEEEMM 	C35H55N9O18S2	953.3107	NA	PeJP	NA	NA
+PJ097735	SNDDDDHH 	C35H47N13O19	953.3112	NA	PeJP	NA	NA
+PJ097736	CDDEFYY 	C43H51N7O16S	953.3113	NA	PeJP	NA	NA
+PJ097737	GSPPCCEMM 	C36H59N9O13S4	953.3116	NA	PeJP	NA	NA
+PJ097738	SCCNNNNW 	C36H51N13O14S2	953.312	NA	PeJP	NA	NA
+PJ097739	GGGGGGGGSCCW 	C36H51N13O14S2	953.3121	NA	PeJP	NA	NA
+PJ097740	SSSCNNNND 	C32H51N13O19S	953.3145	NA	PeJP	NA	NA
+PJ097741	GGGGGGGGSSSCD 	C32H51N13O19S	953.3146	NA	PeJP	NA	NA
+PJ097742	GSPCCCNDR 	C33H55N13O14S3	953.3154	NA	PeJP	NA	NA
+PJ097743	CEMMMFY 	C41H59N7O11S4	953.3156	NA	PeJP	NA	NA
+PJ097744	CCNNEWW 	C41H51N11O12S2	953.316	NA	PeJP	NA	NA
+PJ097745	GGCCNEWW 	C41H51N11O12S2	953.3161	NA	PeJP	NA	NA
+PJ097746	ACCCMMHR 	C34H59N13O9S5	953.3163	NA	PeJP	NA	NA
+PJ097747	SSCNNDEW 	C37H51N11O17S	953.3185	NA	PeJP	NA	NA
+PJ097748	GGSSCNDEW 	C37H51N11O17S	953.3186	NA	PeJP	NA	NA
+PJ097749	SSTCCMHW 	C38H55N11O12S3	953.3194	NA	PeJP	NA	NA
+PJ097750	SSSSNNDDE 	C33H51N11O22	953.321	NA	PeJP	NA	NA
+PJ097751	GGSSSSNDDE 	C33H51N11O22	953.3211	NA	PeJP	NA	NA
+PJ097752	GDDDDMMR 	C34H55N11O17S2	953.3219	NA	PeJP	NA	NA
+PJ097753	SDDDMWW 	C42H51N9O15S	953.3226	NA	PeJP	NA	NA
+PJ097754	SSCQMMMH 	C35H59N11O12S4	953.3228	NA	PeJP	NA	NA
+PJ097755	GSSSCCHHH 	C35H51N15O13S2	953.3233	NA	PeJP	NA	NA
+PJ097756	PCCEMWW 	C43H55N9O10S3	953.3234	NA	PeJP	NA	NA
+PJ097757	GGACCCFFF 	C43H55N9O10S3	953.3235	NA	PeJP	NA	NA
+PJ097758	SSSDDEEW 	C38H51N9O20	953.3251	NA	PeJP	NA	NA
+PJ097759	NDEEMMW 	C39H55N9O15S2	953.3259	NA	PeJP	NA	NA
+PJ097760	GGDEEMMW 	C39H55N9O15S2	953.326	NA	PeJP	NA	NA
+PJ097761	CCCNNNQR 	C32H55N15O13S3	953.3266	NA	PeJP	NA	NA
+PJ097762	GGGGGGCCCQR 	C32H55N15O13S3	953.3267	NA	PeJP	NA	NA
+PJ097763	SPPCCMMW 	C40H59N9O10S4	953.3268	NA	PeJP	NA	NA
+PJ097764	GPCCDHHW 	C40H51N13O11S2	953.3273	NA	PeJP	NA	NA
+PJ097765	SSNEEEEM 	C35H55N9O20S	953.3284	NA	PeJP	NA	NA
+PJ097766	GGSSEEEEM 	C35H55N9O20S	953.3285	NA	PeJP	NA	NA
+PJ097767	SDDEYYY 	C43H51N7O18	953.3291	NA	PeJP	NA	NA
+PJ097768	SPNDEMMM 	C36H59N9O15S3	953.3293	NA	PeJP	NA	NA
+PJ097769	CNNNNNDF 	C36H51N13O16S	953.3298	NA	PeJP	NA	NA
+PJ097770	PCDMYYY 	C44H55N7O13S2	953.33	NA	PeJP	NA	NA
+PJ097771	PPCNMMMM 	C37H63N9O10S5	953.3302	NA	PeJP	NA	NA
+PJ097772	GCCCEHFR 	C37H55N13O11S3	953.3307	NA	PeJP	NA	NA
+PJ097773	GCCNWWW 	C45H51N11O9S2	953.3313	NA	PeJP	NA	NA
+PJ097774	GSSCNNNQM 	C33H55N13O16S2	953.3331	NA	PeJP	NA	NA
+PJ097775	SCNNDDMR 	C33H55N13O16S2	953.3332	NA	PeJP	NA	NA
+PJ097776	SEMMMYY 	C41H59N7O13S3	953.3333	NA	PeJP	NA	NA
+PJ097777	GSSCNDWW 	C41H51N11O14S	953.3338	NA	PeJP	NA	NA
+PJ097778	SSCCMMHR 	C34H59N13O11S4	953.334	NA	PeJP	NA	NA
+PJ097779	CCQMHFW 	C42H55N11O9S3	953.3347	NA	PeJP	NA	NA
+PJ097780	GSSSSNDDW 	C37H51N11O19	953.3363	NA	PeJP	NA	NA
+PJ097781	CDDEMRW 	C38H55N11O14S2	953.3372	NA	PeJP	NA	NA
+PJ097782	GCCNHHHF 	C39H51N15O10S2	953.3385	NA	PeJP	NA	NA
+PJ097783	SSDDDEMR 	C34H55N11O19S	953.3397	NA	PeJP	NA	NA
+PJ097784	GSPDDDYW 	C42H51N9O17	953.3403	NA	PeJP	NA	NA
+PJ097785	SPCDDMMR 	C35H59N11O14S3	953.3405	NA	PeJP	NA	NA
+PJ097786	PTCCDEMR 	C35H59N11O14S3	953.3406	NA	PeJP	NA	NA
+PJ097787	GCDDDHHR 	C35H51N15O15S	953.341	NA	PeJP	NA	NA
+PJ097788	GDEMMWW 	C43H55N9O12S2	953.3412	NA	PeJP	NA	NA
+PJ097789	ACCKMMMH 	C36H63N11O9S5	953.3414	NA	PeJP	NA	NA
+PJ097790	SCCCKHHH 	C36H55N15O10S3	953.3419	NA	PeJP	NA	NA
+PJ097791	GSSEEEMW 	C39H55N9O17S	953.3437	NA	PeJP	NA	NA
+PJ097792	GSSCCNNNR 	C32H55N15O15S2	953.3444	NA	PeJP	NA	NA
+PJ097793	GSPDMMMW 	C40H59N9O12S3	953.3446	NA	PeJP	NA	NA
+PJ097794	NDDMHHW 	C40H51N13O13S	953.345	NA	PeJP	NA	NA
+PJ097795	GGDDMHHW 	C40H51N13O13S	953.3451	NA	PeJP	NA	NA
+PJ097796	PCCCCNRR 	C33H59N15O10S4	953.3453	NA	PeJP	NA	NA
+PJ097797	CCCHFRW 	C41H55N13O8S3	953.3459	NA	PeJP	NA	NA
+PJ097798	GSSSTEEEE 	C35H55N9O22	953.3462	NA	PeJP	NA	NA
+PJ097799	GTQEEEMM 	C36H59N9O17S2	953.3471	NA	PeJP	NA	NA
+PJ097800	SNNNNNDY 	C36H51N13O18	953.3475	NA	PeJP	NA	NA
+PJ097801	GGGGGGSNNDY 	C36H51N13O18	953.3476	NA	PeJP	NA	NA
+PJ097802	GEEMYYY 	C44H55N7O15S	953.3477	NA	PeJP	NA	NA
+PJ097803	GPQEMMMM 	C37H63N9O12S4	953.3479	NA	PeJP	NA	NA
+PJ097804	GGAPEMMMM 	C37H63N9O12S4	953.348	NA	PeJP	NA	NA
+PJ097805	GSCCNERW 	C37H55N13O13S2	953.3484	NA	PeJP	NA	NA
+PJ097806	PCMMFYY 	C45H59N7O10S3	953.3486	NA	PeJP	NA	NA
+PJ097807	MMMMHHH 	C38H59N13O8S4	953.3493	NA	PeJP	NA	NA
+PJ097808	GSSSCNDER 	C33H55N13O18S	953.3509	NA	PeJP	NA	NA
+PJ097809	NNDEHYY 	C41H51N11O16	953.3515	NA	PeJP	NA	NA
+PJ097810	NNNDEYW 	C41H51N11O16	953.3516	NA	PeJP	NA	NA
+PJ097811	GCNNEMMR 	C34H59N13O13S3	953.3518	NA	PeJP	NA	NA
+PJ097812	CLMMMYY 	C42H63N7O10S4	953.3519	NA	PeJP	NA	NA
+PJ097813	TMMMMFY 	C42H63N7O10S4	953.352	NA	PeJP	NA	NA
+PJ097814	SCNQMWW 	C42H55N11O11S2	953.3524	NA	PeJP	NA	NA
+PJ097815	GGGGAPCCFW 	C42H55N11O11S2	953.3525	NA	PeJP	NA	NA
+PJ097816	SSSNNEMW 	C38H55N11O16S	953.3549	NA	PeJP	NA	NA
+PJ097817	GGGGGGSPDMY 	C38H55N11O16S	953.355	NA	PeJP	NA	NA
+PJ097818	GDDEFWW 	C46H51N9O14	953.3556	NA	PeJP	NA	NA
+PJ097819	NNQMMMW 	C39H59N11O11S3	953.3558	NA	PeJP	NA	NA
+PJ097820	GSCNNHHW 	C39H51N15O12S	953.3563	NA	PeJP	NA	NA
+PJ097821	PPCCYWW 	C47H55N9O9S2	953.3564	NA	PeJP	NA	NA
+PJ097822	DMMWWW 	C47H55N9O9S2	953.3565	NA	PeJP	NA	NA
+PJ097823	SSSSSNQEE 	C34H55N11O21	953.3574	NA	PeJP	NA	NA
+PJ097824	GSDEEMMR 	C35H59N11O16S2	953.3583	NA	PeJP	NA	NA
+PJ097825	GSSSNNDHH 	C35H51N15O17	953.3588	NA	PeJP	NA	NA
+PJ097826	SNNMYYY 	C43H55N9O14S	953.3589	NA	PeJP	NA	NA
+PJ097827	SSEEMWW 	C43H55N9O14S	953.359	NA	PeJP	NA	NA
+PJ097828	GPCEMMMR 	C36H63N11O11S4	953.3592	NA	PeJP	NA	NA
+PJ097829	SPCCDHHR 	C36H55N15O12S2	953.3596	NA	PeJP	NA	NA
+PJ097830	GGGNNMMHH 	C36H55N15O12S2	953.3597	NA	PeJP	NA	NA
+PJ097831	PTCMMWW 	C44H59N9O9S3	953.3598	NA	PeJP	NA	NA
+PJ097832	GCEHHWW 	C44H51N13O10S	953.3603	NA	PeJP	NA	NA
+PJ097833	SSSTEEEW 	C39H55N9O19	953.3614	NA	PeJP	NA	NA
+PJ097834	TTTTDDDW 	C39H55N9O19	953.3615	NA	PeJP	NA	NA
+PJ097835	TQEEMMW 	C40H59N9O14S2	953.3623	NA	PeJP	NA	NA
+PJ097836	GSSDEHHW 	C40H51N13O15	953.3628	NA	PeJP	NA	NA
+PJ097837	EMYYYW 	C48H55N7O12S	953.363	NA	PeJP	NA	NA
+PJ097838	PQMMMMW 	C41H63N9O9S4	953.3632	NA	PeJP	NA	NA
+PJ097839	SCCNRWW 	C41H55N13O10S2	953.3637	NA	PeJP	NA	NA
+PJ097840	SSDKEEEM 	C36H59N9O19S	953.3648	NA	PeJP	NA	NA
+PJ097841	STEEYYY 	C44H55N7O17	953.3655	NA	PeJP	NA	NA
+PJ097842	GVQEEMMM 	C37H63N9O14S3	953.3657	NA	PeJP	NA	NA
+PJ097843	SSSCNDRW 	C37H55N13O15S	953.3662	NA	PeJP	NA	NA
+PJ097844	SPMMYYY 	C45H59N7O12S2	953.3663	NA	PeJP	NA	NA
+PJ097845	GNNDYWW 	C45H51N11O13	953.3668	NA	PeJP	NA	NA
+PJ097846	CNNMMRW 	C38H59N13O10S3	953.367	NA	PeJP	NA	NA
+PJ097847	GGGGCMMRW 	C38H59N13O10S3	953.3671	NA	PeJP	NA	NA
+PJ097848	ASSSSSSNNN 	C33H55N13O20	953.3686	NA	PeJP	NA	NA
+PJ097849	SSSSSNDDR 	C33H55N13O20	953.3687	NA	PeJP	NA	NA
+PJ097850	SSNNDMMR 	C34H59N13O15S2	953.3695	NA	PeJP	NA	NA
+PJ097851	GGGGSSDMMR 	C34H59N13O15S2	953.3696	NA	PeJP	NA	NA
+PJ097852	NNNNNNNH 	C34H51N17O16	953.37	NA	PeJP	NA	NA
+PJ097853	GGGGGGGGGGGGNH 	C34H51N17O16	953.3701	NA	PeJP	NA	NA
+PJ097854	GSSSNMWW 	C42H55N11O13S	953.3702	NA	PeJP	NA	NA
+PJ097855	PCCCNKMR 	C35H63N13O10S4	953.3704	NA	PeJP	NA	NA
+PJ097856	DDFWWW 	C50H51N9O11	953.3708	NA	PeJP	NA	NA
+PJ097857	GCCNQHHR 	C35H55N17O11S2	953.3709	NA	PeJP	NA	NA
+PJ097858	CCKMHFW 	C43H59N11O8S3	953.3711	NA	PeJP	NA	NA
+PJ097859	GSSSSSQEW 	C38H55N11O18	953.3727	NA	PeJP	NA	NA
+PJ097860	SDEMMRW 	C39H59N11O13S2	953.3736	NA	PeJP	NA	NA
+PJ097861	GNNNDHHF 	C39H51N15O14	953.374	NA	PeJP	NA	NA
+PJ097862	GGGGGNDHHF 	C39H51N15O14	953.3741	NA	PeJP	NA	NA
+PJ097863	GPDMYWW 	C47H55N9O11S	953.3742	NA	PeJP	NA	NA
+PJ097864	PCMMMRW 	C40H63N11O8S4	953.3744	NA	PeJP	NA	NA
+PJ097865	CHHWWW 	C48H51N13O7S	953.3756	NA	PeJP	NA	NA
+PJ097866	ASSSSQQEM 	C35H59N11O18S	953.376	NA	PeJP	NA	NA
+PJ097867	SSSEEEMR 	C35H59N11O18S	953.3761	NA	PeJP	NA	NA
+PJ097868	AQEEEYW 	C43H55N9O16	953.3767	NA	PeJP	NA	NA
+PJ097869	QEEMMMR 	C36H63N11O13S3	953.3769	NA	PeJP	NA	NA
+PJ097870	GGGGGKEMMM 	C36H63N11O13S3	953.377	NA	PeJP	NA	NA
+PJ097871	GCNNNNRY 	C36H55N15O14S	953.3774	NA	PeJP	NA	NA
+PJ097872	ATEMMWW 	C44H59N9O11S2	953.3776	NA	PeJP	NA	NA
+PJ097873	SSDHHWW 	C44H51N13O12	953.3781	NA	PeJP	NA	NA
+PJ097874	CCCQRRW 	C37H59N15O9S3	953.3783	NA	PeJP	NA	NA
+PJ097875	GTTTEEMW 	C40H59N9O16S	953.3801	NA	PeJP	NA	NA
+PJ097876	GPEYYYY 	C48H55N7O14	953.3807	NA	PeJP	NA	NA
+PJ097877	SSCCNERR 	C33H59N15O14S2	953.3808	NA	PeJP	NA	NA
+PJ097878	ASPTMMMW 	C41H63N9O11S3	953.3809	NA	PeJP	NA	NA
+PJ097879	VQEMMMW 	C41H63N9O11S3	953.381	NA	PeJP	NA	NA
+PJ097880	CNNDFRW 	C41H55N13O12S	953.3814	NA	PeJP	NA	NA
+PJ097881	PCMFFFY 	C49H59N7O9S2	953.3816	NA	PeJP	NA	NA
+PJ097882	SSSSSLEEE 	C36H59N9O21	953.3826	NA	PeJP	NA	NA
+PJ097883	CHHHHHF 	C42H51N17O8S	953.3828	NA	PeJP	NA	NA
+PJ097884	ASPTTTDMM 	C37H63N9O16S2	953.3834	NA	PeJP	NA	NA
+PJ097885	GTKEEEMM 	C37H63N9O16S2	953.3835	NA	PeJP	NA	NA
+PJ097886	DDDDRRY 	C37H55N13O17	953.3839	NA	PeJP	NA	NA
+PJ097887	GGGGGGGGGGTTY 	C37H55N13O17	953.384	NA	PeJP	NA	NA
+PJ097888	SVEMYYY 	C45H59N7O14S	953.3841	NA	PeJP	NA	NA
+PJ097889	GPKEMMMM 	C38H67N9O11S4	953.3843	NA	PeJP	NA	NA
+PJ097890	GSSCQMRW 	C38H59N13O12S2	953.3848	NA	PeJP	NA	NA
+PJ097891	CLMMFFY 	C46H63N7O9S3	953.385	NA	PeJP	NA	NA
+PJ097892	GSNEHHHH 	C38H51N17O13	953.3853	NA	PeJP	NA	NA
+PJ097893	GNNMFWW 	C46H55N11O10S	953.3854	NA	PeJP	NA	NA
+PJ097894	GGGNMFWW 	C46H55N11O10S	953.3855	NA	PeJP	NA	NA
+PJ097895	GSSSSNEMR 	C34H59N13O17S	953.3873	NA	PeJP	NA	NA
+PJ097896	SSSSSQWW 	C42H55N11O15	953.3879	NA	PeJP	NA	NA
+PJ097897	GDEERYW 	C42H55N11O15	953.388	NA	PeJP	NA	NA
+PJ097898	DDMMMRR 	C35H63N13O12S3	953.3882	NA	PeJP	NA	NA
+PJ097899	SSCNNHHR 	C35H55N17O13S	953.3886	NA	PeJP	NA	NA
+PJ097900	GGGGSSCHHR 	C35H55N17O13S	953.3887	NA	PeJP	NA	NA
+PJ097901	SCNKMWW 	C43H59N11O10S2	953.3888	NA	PeJP	NA	NA
+PJ097902	SSSNDKMW 	C39H59N11O15S	953.3913	NA	PeJP	NA	NA
+PJ097903	AAEEYWW 	C47H55N9O13	953.392	NA	PeJP	NA	NA
+PJ097904	AEMMMRW 	C40H63N11O10S3	953.3922	NA	PeJP	NA	NA
+PJ097905	SCEHHRW 	C40H55N15O11S	953.3927	NA	PeJP	NA	NA
+PJ097906	GPMMFWW 	C48H59N9O8S2	953.3928	NA	PeJP	NA	NA
+PJ097907	SSSSSNKEE 	C35H59N11O20	953.3938	NA	PeJP	NA	NA
+PJ097908	GTTEEMMR 	C36H63N11O15S2	953.3947	NA	PeJP	NA	NA
+PJ097909	SSSDEHHR 	C36H55N15O16	953.3952	NA	PeJP	NA	NA
+PJ097910	TTTEMWW 	C44H59N9O13S	953.3953	NA	PeJP	NA	NA
+PJ097911	GGVEEMFW 	C44H59N9O13S	953.3954	NA	PeJP	NA	NA
+PJ097912	GPTMMMMR 	C37H67N11O10S4	953.3956	NA	PeJP	NA	NA
+PJ097913	PYYYYW 	C52H55N7O11	953.396	NA	PeJP	NA	NA
+PJ097914	GGGAPPCCHR 	C37H59N15O11S2	953.3961	NA	PeJP	NA	NA
+PJ097915	GLMMMWW 	C45H63N9O8S3	953.3962	NA	PeJP	NA	NA
+PJ097916	GTMHHWW 	C45H55N13O9S	953.3967	NA	PeJP	NA	NA
+PJ097917	STTTTEEW 	C40H59N9O18	953.3978	NA	PeJP	NA	NA
+PJ097918	GAKEEEEY 	C40H59N9O18	953.3979	NA	PeJP	NA	NA
+PJ097919	GSSSSCDRR 	C33H59N15O16S	953.3985	NA	PeJP	NA	NA
+PJ097920	TKEEMMW 	C41H63N9O13S2	953.3987	NA	PeJP	NA	NA
+PJ097921	SNNDRYW 	C41H55N13O14	953.3992	NA	PeJP	NA	NA
+PJ097922	APMFYYY 	C49H59N7O11S	953.3994	NA	PeJP	NA	NA
+PJ097923	PKMMMMW 	C42H67N9O8S4	953.3996	NA	PeJP	NA	NA
+PJ097924	VNMMHHW 	C42H59N13O9S2	953.4001	NA	PeJP	NA	NA
+PJ097925	SNHHHHW 	C42H51N17O10	953.4005	NA	PeJP	NA	NA
+PJ097926	STTKEEEM 	C37H63N9O18S	953.4012	NA	PeJP	NA	NA
+PJ097927	GVKEEMMM 	C38H67N9O13S3	953.4021	NA	PeJP	NA	NA
+PJ097928	SSSSNMRW 	C38H59N13O14S	953.4025	NA	PeJP	NA	NA
+PJ097929	GGSSSSMRW 	C38H59N13O14S	953.4026	NA	PeJP	NA	NA
+PJ097930	ALMMYYY 	C46H63N7O11S2	953.4027	NA	PeJP	NA	NA
+PJ097931	DERYWW 	C46H55N11O12	953.4032	NA	PeJP	NA	NA
+PJ097932	CCQKMRW 	C39H63N13O9S3	953.4034	NA	PeJP	NA	NA
+PJ097933	QQMHHHH 	C39H55N17O10S	953.4039	NA	PeJP	NA	NA
+PJ097934	SSSSSSQER 	C34H59N13O19	953.405	NA	PeJP	NA	NA
+PJ097935	GGSSSSSTER 	C34H59N13O19	953.4051	NA	PeJP	NA	NA
+PJ097936	SSSQQMMR 	C35H63N13O14S2	953.4059	NA	PeJP	NA	NA
+PJ097937	GNNNNEHR 	C35H55N17O15	953.4064	NA	PeJP	NA	NA
+PJ097938	GSSTCKWW 	C43H59N11O12S	953.4066	NA	PeJP	NA	NA
+PJ097939	VDYWWW 	C51H55N9O10	953.4072	NA	PeJP	NA	NA
+PJ097940	CDMHHRR 	C36H59N17O10S2	953.4073	NA	PeJP	NA	NA
+PJ097941	GSSSSSKEW 	C39H59N11O17	953.4091	NA	PeJP	NA	NA
+PJ097942	TTEMMRW 	C40H63N11O12S2	953.4099	NA	PeJP	NA	NA
+PJ097943	GGGSTKMMW 	C40H63N11O12S2	953.41	NA	PeJP	NA	NA
+PJ097944	NNQQQHW 	C40H55N15O13	953.4104	NA	PeJP	NA	NA
+PJ097945	GGGGGGGGGVHW 	C40H55N15O13	953.4105	NA	PeJP	NA	NA
+PJ097946	APTMYWW 	C48H59N9O10S	953.4106	NA	PeJP	NA	NA
+PJ097947	GMMHHRW 	C41H59N15O8S2	953.4113	NA	PeJP	NA	NA
+PJ097948	STTTEEMR 	C36H63N11O17S	953.4124	NA	PeJP	NA	NA
+PJ097949	GGGSSTTKEM 	C36H63N11O17S	953.4125	NA	PeJP	NA	NA
+PJ097950	AKEEEYW 	C44H59N9O15	953.4131	NA	PeJP	NA	NA
+PJ097951	KEEMMMR 	C37H67N11O12S3	953.4133	NA	PeJP	NA	NA
+PJ097952	CNNERRY 	C37H59N15O13S	953.4138	NA	PeJP	NA	NA
+PJ097953	STLMMWW 	C45H63N9O10S2	953.414	NA	PeJP	NA	NA
+PJ097954	STTHHWW 	C45H55N13O11	953.4144	NA	PeJP	NA	NA
+PJ097955	GGGGPTHWW 	C45H55N13O11	953.4145	NA	PeJP	NA	NA
+PJ097956	PCFFFFF 	C53H59N7O8S	953.4146	NA	PeJP	NA	NA
+PJ097957	CCCKRRW 	C38H63N15O8S3	953.4147	NA	PeJP	NA	NA
+PJ097958	CQHHHHR 	C38H55N19O9S	953.4151	NA	PeJP	NA	NA
+PJ097959	SSTTLEMW 	C41H63N9O15S	953.4165	NA	PeJP	NA	NA
+PJ097960	SPVYYYY 	C49H59N7O13	953.4171	NA	PeJP	NA	NA
+PJ097961	SSSCQMRR 	C34H63N15O13S2	953.4172	NA	PeJP	NA	NA
+PJ097962	VKEMMMW 	C42H67N9O10S3	953.4173	NA	PeJP	NA	NA
+PJ097963	GGAPLMMMF 	C42H67N9O10S3	953.4174	NA	PeJP	NA	NA
+PJ097964	GNQMRYW 	C42H59N13O11S	953.4178	NA	PeJP	NA	NA
+PJ097965	CLMFFFF 	C50H63N7O8S2	953.418	NA	PeJP	NA	NA
+PJ097966	GNHFFFW 	C50H55N11O9	953.4185	NA	PeJP	NA	NA
+PJ097967	SSSTTTLEE 	C37H63N9O20	953.419	NA	PeJP	NA	NA
+PJ097968	SSLKEEMM 	C38H67N9O15S2	953.4198	NA	PeJP	NA	NA
+PJ097969	GSSSSSTRW 	C38H59N13O16	953.4203	NA	PeJP	NA	NA
+PJ097970	GGGGGGGGGPPVE 	C38H59N13O16	953.4204	NA	PeJP	NA	NA
+PJ097971	TTLMYYY 	C46H63N7O13S	953.4205	NA	PeJP	NA	NA
+PJ097972	SPVKMMMM 	C39H71N9O10S4	953.4207	NA	PeJP	NA	NA
+PJ097973	GSSCKMRW 	C39H63N13O11S2	953.4212	NA	PeJP	NA	NA
+PJ097974	NNNNHRW 	C39H55N17O12	953.4216	NA	PeJP	NA	NA
+PJ097975	GGNNNHRW 	C39H55N17O12	953.4217	NA	PeJP	NA	NA
+PJ097976	EMFRWW 	C47H59N11O9S	953.4218	NA	PeJP	NA	NA
+PJ097977	GSSSSDKMR 	C35H63N13O16S	953.4237	NA	PeJP	NA	NA
+PJ097978	SSSSSKWW 	C43H59N11O14	953.4243	NA	PeJP	NA	NA
+PJ097979	GGAASPPPDW 	C43H59N11O14	953.4244	NA	PeJP	NA	NA
+PJ097980	CCCNQKKK 	C36H67N13O11S3	953.4245	NA	PeJP	NA	NA
+PJ097981	TEMMMRR 	C36H67N13O11S3	953.4246	NA	PeJP	NA	NA
+PJ097982	GPCNDHRR 	C36H59N17O12S	953.425	NA	PeJP	NA	NA
+PJ097983	TCCKKWW 	C44H63N11O9S2	953.4252	NA	PeJP	NA	NA
+PJ097984	GDHHFRW 	C44H55N15O10	953.4257	NA	PeJP	NA	NA
+PJ097985	VMFWWW 	C52H59N9O7S	953.4259	NA	PeJP	NA	NA
+PJ097986	SSSTQKMW 	C40H63N11O14S	953.4277	NA	PeJP	NA	NA
+PJ097987	PTTTYWW 	C48H59N9O12	953.4283	NA	PeJP	NA	NA
+PJ097988	GTLEYWW 	C48H59N9O12	953.4284	NA	PeJP	NA	NA
+PJ097989	SLMMMRW 	C41H67N11O9S3	953.4286	NA	PeJP	NA	NA
+PJ097990	GCNRRYW 	C41H59N15O10S	953.429	NA	PeJP	NA	NA
+PJ097991	GGGCRRYW 	C41H59N15O10S	953.4291	NA	PeJP	NA	NA
+PJ097992	AAHHFWW 	C49H55N13O8	953.4297	NA	PeJP	NA	NA
+PJ097993	SSSSSDKKE 	C36H63N11O19	953.4302	NA	PeJP	NA	NA
+PJ097994	SSTLEMMR 	C37H67N11O14S2	953.4311	NA	PeJP	NA	NA
+PJ097995	GSSNDRRY 	C37H59N15O15	953.4315	NA	PeJP	NA	NA
+PJ097996	GGGSSDRRY 	C37H59N15O15	953.4316	NA	PeJP	NA	NA
+PJ097997	PTKEMYW 	C45H63N9O12S	953.4317	NA	PeJP	NA	NA
+PJ097998	AALMMMMR 	C38H71N11O9S4	953.432	NA	PeJP	NA	NA
+PJ097999	LFYYYW 	C53H59N7O10	953.4324	NA	PeJP	NA	NA
+PJ098000	GSSHHHHR 	C38H55N19O11	953.4329	NA	PeJP	NA	NA
+PJ098001	PCKHHFW 	C46H59N13O8S	953.4331	NA	PeJP	NA	NA
+PJ098002	KKEEEEY 	C41H63N9O17	953.4342	NA	PeJP	NA	NA
+PJ098003	GSSSSSMRR 	C34H63N15O15S	953.4349	NA	PeJP	NA	NA
+PJ098004	SSSLLMMW 	C42H67N9O12S2	953.4351	NA	PeJP	NA	NA
+PJ098005	SSQQRYW 	C42H59N13O13	953.4356	NA	PeJP	NA	NA
+PJ098006	ALMFFYY 	C50H63N7O10S	953.4357	NA	PeJP	NA	NA
+PJ098007	GTCCKMRR 	C35H67N15O10S3	953.4358	NA	PeJP	NA	NA
+PJ098008	PPMMHRW 	C43H63N13O8S2	953.4364	NA	PeJP	NA	NA
+PJ098009	SSSSTLLEM 	C38H67N9O17S	953.4376	NA	PeJP	NA	NA
+PJ098010	ATLKEMMM 	C39H71N9O12S3	953.4385	NA	PeJP	NA	NA
+PJ098011	SSSTCKRW 	C39H63N13O13S	953.4389	NA	PeJP	NA	NA
+PJ098012	GGGGKEMRY 	C39H63N13O13S	953.439	NA	PeJP	NA	NA
+PJ098013	GSQKYWW 	C47H59N11O11	953.4396	NA	PeJP	NA	NA
+PJ098014	CCKKMRW 	C40H67N13O8S3	953.4398	NA	PeJP	NA	NA
+PJ098015	APPCHHHR 	C40H59N17O9S	953.4403	NA	PeJP	NA	NA
+PJ098016	SSSSSSKER 	C35H63N13O18	953.4414	NA	PeJP	NA	NA
+PJ098017	SSSQKMMR 	C36H67N13O13S2	953.4423	NA	PeJP	NA	NA
+PJ098018	NNEEHRR 	C36H59N17O14	953.4428	NA	PeJP	NA	NA
+PJ098019	AQQKMYW 	C44H63N11O11S	953.4429	NA	PeJP	NA	NA
+PJ098020	GLEMRYW 	C44H63N11O11S	953.443	NA	PeJP	NA	NA
+PJ098021	VMMMMRR 	C37H71N13O8S4	953.4432	NA	PeJP	NA	NA
+PJ098022	TLYWWW 	C52H59N9O9	953.4436	NA	PeJP	NA	NA
+PJ098023	CCNFRRR 	C37H63N17O9S2	953.4437	NA	PeJP	NA	NA
+PJ098024	SSSSSSVKW 	C40H63N11O16	953.4454	NA	PeJP	NA	NA
+PJ098025	GSSSTTTKW 	C40H63N11O16	953.4455	NA	PeJP	NA	NA
+PJ098026	GSSKKMMW 	C41H67N11O11S2	953.4463	NA	PeJP	NA	NA
+PJ098027	GGGGGLKMMF 	C41H67N11O11S2	953.4464	NA	PeJP	NA	NA
+PJ098028	AQQEHRW 	C41H59N15O12	953.4468	NA	PeJP	NA	NA
+PJ098029	GVLMYWW 	C49H63N9O9S	953.447	NA	PeJP	NA	NA
+MJ098540	Liposidomycin; Liposidomycin A-I, Desulfo 	C44H67N5O18	953.44811	NA	MeJP	NA	NA
+PJ098030	LHHHHHH 	C42H55N19O8	953.4482	NA	PeJP	NA	NA
+PJ098031	GSSSTKKEM 	C37H67N11O16S	953.4488	NA	PeJP	NA	NA
+PJ098032	SLKEEYW 	C45H63N9O14	953.4495	NA	PeJP	NA	NA
+PJ098033	ATTLMMMR 	C38H71N11O11S3	953.4497	NA	PeJP	NA	NA
+PJ098034	SNQMRRY 	C38H63N15O12S	953.4502	NA	PeJP	NA	NA
+PJ098035	VLQMMFW 	C46H67N9O9S2	953.4503	NA	PeJP	NA	NA
+PJ098036	PVKMMYW 	C46H67N9O9S2	953.4504	NA	PeJP	NA	NA
+PJ098037	SPNKHWW 	C46H59N13O10	953.4508	NA	PeJP	NA	NA
+PJ098038	CKHHHHR 	C39H59N19O8S	953.4515	NA	PeJP	NA	NA
+PJ098039	SSSSSSTRR 	C34H63N15O17	953.4527	NA	PeJP	NA	NA
+PJ098040	TTTTTLMW 	C42H67N9O14S	953.4528	NA	PeJP	NA	NA
+PJ098041	AALKEEMY 	C42H67N9O14S	953.4529	NA	PeJP	NA	NA
+PJ098042	GLLYYYY 	C50H63N7O12	953.4535	NA	PeJP	NA	NA
+PJ098043	GPLKMMMF 	C43H71N9O9S3	953.4537	NA	PeJP	NA	NA
+PJ098044	GSNNNHRR 	C35H59N19O13	953.454	NA	PeJP	NA	NA
+PJ098045	GNKMRYW 	C43H63N13O10S	953.4542	NA	PeJP	NA	NA
+PJ098046	PFRYWW 	C51H59N11O8	953.4548	NA	PeJP	NA	NA
+PJ098047	STTTTTTLE 	C38H67N9O19	953.4553	NA	PeJP	NA	NA
+PJ098048	TTTLKEMM 	C39H71N9O14S2	953.4562	NA	PeJP	NA	NA
+PJ098049	TTEERRY 	C39H63N13O15	953.4567	NA	PeJP	NA	NA
+PJ098050	GLLKMMMM 	C40H75N9O9S4	953.4571	NA	PeJP	NA	NA
+PJ098051	PTMMRRY 	C40H67N13O10S2	953.4576	NA	PeJP	NA	NA
+PJ098052	GNEHRRW 	C40H59N17O11	953.458	NA	PeJP	NA	NA
+PJ098053	GGGEHRRW 	C40H59N17O11	953.4581	NA	PeJP	NA	NA
+PJ098054	LMRYWW 	C48H63N11O8S	953.4582	NA	PeJP	NA	NA
+PJ098055	GSSSTTKMR 	C36H67N13O15S	953.4601	NA	PeJP	NA	NA
+PJ098056	STLERYW 	C44H63N11O13	953.4607	NA	PeJP	NA	NA
+PJ098057	GTCKKMMR 	C37H71N13O10S3	953.4609	NA	PeJP	NA	NA
+PJ098058	GGCCCKKKK 	C37H71N13O10S3	953.461	NA	PeJP	NA	NA
+PJ098059	SCNRRRY 	C37H63N17O11S	953.4614	NA	PeJP	NA	NA
+PJ098060	ALMMFRW 	C45H67N11O8S2	953.4616	NA	PeJP	NA	NA
+PJ098061	AAQHRWW 	C45H59N15O9	953.4621	NA	PeJP	NA	NA
+PJ098062	SSSTKKMW 	C41H67N11O13S	953.4641	NA	PeJP	NA	NA
+PJ098063	SSLLYWW 	C49H63N9O11	953.4647	NA	PeJP	NA	NA
+PJ098064	GGVLEFFW 	C49H63N9O11	953.4648	NA	PeJP	NA	NA
+PJ098065	CKKKMMW 	C42H71N11O8S3	953.465	NA	PeJP	NA	NA
+PJ098066	PCQKHRW 	C42H63N15O9S	953.4654	NA	PeJP	NA	NA
+PJ098067	SSSSTTKKE 	C37H67N11O18	953.4666	NA	PeJP	NA	NA
+PJ098068	STTQKKMM 	C38H71N11O13S2	953.4674	NA	PeJP	NA	NA
+PJ098069	TTTTLMMR 	C38H71N11O13S2	953.4675	NA	PeJP	NA	NA
+PJ098070	GSSTQRRY 	C38H63N15O14	953.4679	NA	PeJP	NA	NA
+PJ098071	GGAAKEEHR 	C38H63N15O14	953.468	NA	PeJP	NA	NA
+PJ098072	VVKEMYW 	C46H67N9O11S	953.4681	NA	PeJP	NA	NA
+PJ098073	ALFFFFY 	C54H63N7O9	953.4688	NA	PeJP	NA	NA
+PJ098074	PDHHHRR 	C39H59N19O10	953.4693	NA	PeJP	NA	NA
+PJ098075	ATTLKEEY 	C42H67N9O16	953.4706	NA	PeJP	NA	NA
+PJ098076	APTLKMMY 	C43H71N9O11S2	953.4715	NA	PeJP	NA	NA
+PJ098077	SSQKRYW 	C43H63N13O12	953.4719	NA	PeJP	NA	NA
+PJ098078	GGSTKRYW 	C43H63N13O12	953.472	NA	PeJP	NA	NA
+PJ098079	NHRRWW 	C44H59N17O8	953.4733	NA	PeJP	NA	NA
+PJ098080	SSTTTTLLM 	C39H71N9O16S	953.474	NA	PeJP	NA	NA
+PJ098081	STLLKMMM 	C40H75N9O11S3	953.4749	NA	PeJP	NA	NA
+PJ098082	SLEMRRY 	C40H67N13O12S	953.4753	NA	PeJP	NA	NA
+PJ098083	GGGGGGVLLMH 	C40H67N13O12S	953.4754	NA	PeJP	NA	NA
+PJ098084	GSKKYWW 	C48H63N11O10	953.476	NA	PeJP	NA	NA
+PJ098085	AMHHFRR 	C41H63N17O8S	953.4767	NA	PeJP	NA	NA
+PJ098086	SSSSTTTKR 	C36H67N13O17	953.4778	NA	PeJP	NA	NA
+PJ098087	SSSKKMMR 	C37H71N13O12S2	953.4787	NA	PeJP	NA	NA
+PJ098088	NDKEHRR 	C37H63N17O13	953.4792	NA	PeJP	NA	NA
+PJ098089	SVLMRYW 	C45H67N11O10S	953.4793	NA	PeJP	NA	NA
+PJ098090	GAAKKMYW 	C45H67N11O10S	953.4794	NA	PeJP	NA	NA
+PJ098091	GVLFFWW 	C53H63N9O8	953.48	NA	PeJP	NA	NA
+PJ098092	SSSLLERY 	C41H67N11O15	953.4818	NA	PeJP	NA	NA
+PJ098093	GSDKKKEY 	C41H67N11O15	953.4819	NA	PeJP	NA	NA
+PJ098094	LLQMMRY 	C42H71N11O10S2	953.4827	NA	PeJP	NA	NA
+PJ098095	PPNERRW 	C42H63N15O11	953.4832	NA	PeJP	NA	NA
+PJ098096	PVKMFFW 	C50H67N9O8S	953.4834	NA	PeJP	NA	NA
+PJ098097	SSSSSLKKM 	C38H71N11O15S	953.4852	NA	PeJP	NA	NA
+PJ098098	GTTTLLYW 	C46H67N9O13	953.4859	NA	PeJP	NA	NA
+PJ098099	GTKKKMMM 	C39H75N11O10S3	953.4861	NA	PeJP	NA	NA
+PJ098100	SNKMRRY 	C39H67N15O11S	953.4866	NA	PeJP	NA	NA
+PJ098101	VLKMMFW 	C47H71N9O8S2	953.4867	NA	PeJP	NA	NA
+PJ098102	PPVNRWW 	C47H63N13O9	953.4872	NA	PeJP	NA	NA
+PJ098103	GTLLKEMY 	C43H71N9O13S	953.4892	NA	PeJP	NA	NA
+PJ098104	GPPPTLLEM 	C43H71N9O13S	953.4893	NA	PeJP	NA	NA
+PJ098105	SNEHRRR 	C36H63N19O12	953.4904	NA	PeJP	NA	NA
+PJ098106	ACKKRYW 	C44H67N13O9S	953.4906	NA	PeJP	NA	NA
+PJ098107	LFFRWW 	C52H63N11O7	953.4912	NA	PeJP	NA	NA
+PJ098108	GSSKKERY 	C40H67N13O14	953.4931	NA	PeJP	NA	NA
+PJ098109	NKKMMFR 	C41H71N13O9S2	953.4939	NA	PeJP	NA	NA
+PJ098110	VVMMRRY 	C41H71N13O9S2	953.494	NA	PeJP	NA	NA
+PJ098111	GDKHRRW 	C41H63N17O10	953.4944	NA	PeJP	NA	NA
+PJ098112	SDKKKYW 	C45H67N11O12	953.4971	NA	PeJP	NA	NA
+PJ098113	VQQMHRR 	C38H67N17O10S	953.4978	NA	PeJP	NA	NA
+PJ098114	GPPRRWW 	C46H63N15O8	953.4985	NA	PeJP	NA	NA
+PJ098115	GTTLLMRY 	C42H71N11O12S	953.5005	NA	PeJP	NA	NA
+PJ098116	PVVKYYW 	C50H67N9O10	953.5011	NA	PeJP	NA	NA
+PJ098117	PCKKHRW 	C43H67N15O8S	953.5018	NA	PeJP	NA	NA
+PJ098118	SSTTTTTKK 	C38H71N11O17	953.503	NA	PeJP	NA	NA
+PJ098119	STTKKKMM 	C39H75N11O12S2	953.5038	NA	PeJP	NA	NA
+PJ098120	GSSTKRRY 	C39H67N15O13	953.5043	NA	PeJP	NA	NA
+PJ098121	GGGGGGGGPLLR 	C39H67N15O13	953.5044	NA	PeJP	NA	NA
+PJ098122	TLLKMYW 	C47H71N9O10S	953.5045	NA	PeJP	NA	NA
+PJ098123	GSHRRRW 	C40H63N19O9	953.5057	NA	PeJP	NA	NA
+PJ098124	STTLLKEY 	C43H71N9O15	953.507	NA	PeJP	NA	NA
+PJ098125	GVLLKMMY 	C44H75N9O10S2	953.5079	NA	PeJP	NA	NA
+PJ098126	SSKKRYW 	C44H67N13O11	953.5083	NA	PeJP	NA	NA
+PJ098127	AAPPKERW 	C44H67N13O11	953.5084	NA	PeJP	NA	NA
+PJ098128	AQMHRRR 	C37H67N19O9S	953.509	NA	PeJP	NA	NA
+PJ098129	TQKKMRY 	C41H71N13O11S	953.5117	NA	PeJP	NA	NA
+PJ098130	SLLLHWW 	C49H67N11O9	953.5124	NA	PeJP	NA	NA
+HMDB06968	CDP-DG(16:0/16:0)	C44H81N3O15P2	953.514282	NA	HMDB2010	NA	NA
+PJ098131	TQKEHRR 	C38H67N17O12	953.5155	NA	PeJP	NA	NA
+PJ098132	GSPPERRR 	C38H67N17O12	953.5156	NA	PeJP	NA	NA
+PJ098133	AKKKMYW 	C46H71N11O9S	953.5157	NA	PeJP	NA	NA
+PJ098134	STTTLLRY 	C42H71N11O14	953.5182	NA	PeJP	NA	NA
+PJ098135	GAPPLDKKE 	C42H71N11O14	953.5183	NA	PeJP	NA	NA
+PJ098136	LLKMMRY 	C43H75N11O9S2	953.5191	NA	PeJP	NA	NA
+PJ098137	PPDKRRW 	C43H67N15O10	953.5196	NA	PeJP	NA	NA
+PJ098138	ACHRRRR 	C36H67N21O8S	953.5203	NA	PeJP	NA	NA
+PJ098139	ASPLLKYY 	C47H71N9O12	953.5222	NA	PeJP	NA	NA
+PJ098140	SPPLLLEW 	C47H71N9O12	953.5223	NA	PeJP	NA	NA
+PJ098141	TCKKRRY 	C40H71N15O10S	953.5229	NA	PeJP	NA	NA
+PJ098142	LLEMHRR 	C40H71N15O10S	953.523	NA	PeJP	NA	NA
+PJ098143	GLKKHWW 	C48H67N13O8	953.5236	NA	PeJP	NA	NA
+PJ098144	SSLLLKMY 	C44H75N9O12S	953.5256	NA	PeJP	NA	NA
+PJ098145	SDKHRRR 	C37H67N19O11	953.5268	NA	PeJP	NA	NA
+PJ098146	VLLMHRW 	C45H71N13O8S	953.527	NA	PeJP	NA	NA
+PJ098147	GTTTKKRY 	C41H71N13O13	953.5295	NA	PeJP	NA	NA
+PJ098148	SPPRRRW 	C42H67N17O9	953.5308	NA	PeJP	NA	NA
+PJ098149	TTKKKYW 	C46H71N11O11	953.5335	NA	PeJP	NA	NA
+PJ098150	AAPPMRRR 	C39H71N17O9S	953.5342	NA	PeJP	NA	NA
+MJ098541	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-fucopyranosyl-(1?6)-2-acetamido-2-deoxy-?-D-glucopyranoside] 	C49H79NO17	953.5348	NA	MeJP	NA	NA
+PJ098151	KKKKEMY 	C43H75N11O11S	953.5369	NA	PeJP	NA	NA
+PJ098152	VVLKFYW 	C51H71N9O9	953.5375	NA	PeJP	NA	NA
+PJ098153	SSHRRRR 	C36H67N21O10	953.538	NA	PeJP	NA	NA
+PJ098154	APPTKERR 	C40H71N15O12	953.5407	NA	PeJP	NA	NA
+PJ098155	PPVVLLMW 	C48H75N9O9S	953.5409	NA	PeJP	NA	NA
+PJ098156	VLHHHRR 	C41H67N19O8	953.542	NA	PeJP	NA	NA
+PJ098157	PLLLLQEE 	C44H75N9O14	953.5434	NA	PeJP	NA	NA
+PJ098158	GPPTLKRW 	C45H71N13O10	953.5447	NA	PeJP	NA	NA
+PJ098159	AKMHRRR 	C38H71N19O8S	953.5454	NA	PeJP	NA	NA
+PJ098160	TKKKMRY 	C42H75N13O10S	953.5481	NA	PeJP	NA	NA
+PJ098161	AKKKFFW 	C50H71N11O8	953.5487	NA	PeJP	NA	NA
+PJ098162	PPLKKWW 	C50H71N11O8	953.5488	NA	PeJP	NA	NA
+PJ098163	PLQERRR 	C39H71N17O11	953.5519	NA	PeJP	NA	NA
+PJ098164	GAPLERRR 	C39H71N17O11	953.552	NA	PeJP	NA	NA
+PJ098165	LLKMFFR 	C47H75N11O8S	953.5521	NA	PeJP	NA	NA
+3688	NA	VRRQIVEYKHRLTLP	953.5525	MH2+	Inhouse_peptide	NA	peptide
+PJ098166	SSTLKKKY 	C43H75N11O13	953.5546	NA	PeJP	NA	NA
+PJ098167	PVLQRRW 	C44H71N15O9	953.556	NA	PeJP	NA	NA
+PJ098168	APLLLLEW 	C48H75N9O11	953.5586	NA	PeJP	NA	NA
+PJ098169	PVVVLLEW 	C48H75N9O11	953.5587	NA	PeJP	NA	NA
+PJ098170	GPPLKMRR 	C41H75N15O9S	953.5593	NA	PeJP	NA	NA
+PJ098171	GPPTLLLLM 	C45H79N9O11S	953.562	NA	PeJP	NA	NA
+PJ098172	PVDRRRR 	C38H71N19O10	953.5632	NA	PeJP	NA	NA
+PJ098173	TTTLLLHR 	C42H75N13O12	953.5659	NA	PeJP	NA	NA
+PJ098174	APLRRRW 	C43H71N17O8	953.5672	NA	PeJP	NA	NA
+PJ098175	SPPVLKKW 	C47H75N11O10	953.5699	NA	PeJP	NA	NA
+PJ098176	VKKMHRR 	C40H75N17O8S	953.5706	NA	PeJP	NA	NA
+PJ098177	SLLLLKMH 	C44H79N11O10S	953.5733	NA	PeJP	NA	NA
+MJ098542	Cyclolinopeptide X 	C52H75N9O8	953.57386	NA	MeJP	NA	NA
+PJ098178	GPVLKERR 	C41H75N15O11	953.5771	NA	PeJP	NA	NA
+PJ098179	PLLLLKEE 	C45H79N9O13	953.5798	NA	PeJP	NA	NA
+PJ098180	AAPLLKRW 	C46H75N13O9	953.5811	NA	PeJP	NA	NA
+PJ098181	PPVVKKMR 	C43H79N13O9S	953.5845	NA	PeJP	NA	NA
+PJ098182	PLKERRR 	C40H75N17O10	953.5883	NA	PeJP	NA	NA
+PJ098183	PTLLLLER 	C44H79N11O12	953.591	NA	PeJP	NA	NA
+PJ098184	LLLHFRR 	C45H75N15O8	953.5923	NA	PeJP	NA	NA
+PJ098185	PVLKRRW 	C45H75N15O8	953.5924	NA	PeJP	NA	NA
+PJ098186	SPLLLLLW 	C49H79N9O10	953.595	NA	PeJP	NA	NA
+PJ098187	AAPLLLLLM 	C46H83N9O10S	953.5984	NA	PeJP	NA	NA
+PJ098188	PTLRRRR 	C39H75N19O9	953.5996	NA	PeJP	NA	NA
+PJ098189	APLLKKER 	C43H79N13O11	953.6022	NA	PeJP	NA	NA
+PJ098190	PVVVKKER 	C43H79N13O11	953.6023	NA	PeJP	NA	NA
+PJ098191	GPLLLKKW 	C48H79N11O9	953.6063	NA	PeJP	NA	NA
+PJ098192	PVLLLLMR 	C45H83N11O9S	953.6096	NA	PeJP	NA	NA
+PJ098193	APTLLKRR 	C42H79N15O10	953.6135	NA	PeJP	NA	NA
+PJ098194	LLLLLLQE 	C46H83N9O12	953.6162	NA	PeJP	NA	NA
+PJ098195	LLLQRRR 	C41H79N17O9	953.6247	NA	PeJP	NA	NA
+PJ098196	VVLLLLER 	C45H83N11O11	953.6274	NA	PeJP	NA	NA
+PJ098197	ALLLLLLW 	C50H83N9O9	953.6314	NA	PeJP	NA	NA
+PJ098198	VVLRRRR 	C40H79N19O8	953.6359	NA	PeJP	NA	NA
+PJ098199	SPLLLKKR 	C44H83N13O10	953.6386	NA	PeJP	NA	NA
+PJ098200	GVLLLKRR 	C43H83N15O9	953.6499	NA	PeJP	NA	NA
+PJ098201	GSLLLLLLL 	C47H87N9O11	953.6525	NA	PeJP	NA	NA
+PJ098202	LLLLLLKE 	C47H87N9O11	953.6526	NA	PeJP	NA	NA
+MJ098543	Guanidolide A 	C51H91N3O13	953.65519	NA	MeJP	NA	NA
+PJ098203	LLLKRRR 	C42H83N17O8	953.6611	NA	PeJP	NA	NA
+PJ098204	TLLLLLLR 	C46H87N11O10	953.6638	NA	PeJP	NA	NA
+PJ098205	ALLLLKKR 	C45H87N13O9	953.675	NA	PeJP	NA	NA
+HMDB12237	Inositol-P-ceramide	C50H100NO13P	953.693237	NA	HMDB2010	NA	NA
+PJ098206	VLLLLKKK 	C47H91N11O9	953.7002	NA	PeJP	NA	NA
+HMDB08816	PC(24:1(15Z)/24:1(15Z))	C56H108NO8P	953.78125	NA	HMDB2010	NA	NA
+C10214	Chebulagic acid	C41H30O27	954.0974	NA	KEGG	NA	NA
+C10232	Isoterchebin	C41H30O27	954.0974	NA	KEGG	NA	NA
+MJ098544	Chebulagic acid 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098545	Geraniinic acid A 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098546	Isorugosin B 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098547	Isoterchebin 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098548	Remurin A; 1-O-Degalloyl 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098549	Rugosin A; 1-O-Degalloyl 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098550	Supinanin 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098551	Tamarixellagic acid 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098552	Tanarinin 	C41H30O27	954.097445	NA	MeJP	NA	NA
+MJ098553	Terchebin 	C41H30O27	954.097445	NA	MeJP	NA	NA
+PJ098207	SCCCCCCCQ 	C29H50N10O12S7	954.1655	NA	PeJP	NA	NA
+PJ098208	GSSSCCCCCC 	C29H50N10O14S6	954.1833	NA	PeJP	NA	NA
+PJ098209	GCCCCCCNF 	C33H50N10O11S6	954.1985	NA	PeJP	NA	NA
+PJ098210	SCCCCCCCK 	C30H54N10O11S7	954.2019	NA	PeJP	NA	NA
+PJ098211	CCCCDDMY 	C34H50N8O14S5	954.205	NA	PeJP	NA	NA
+PJ098212	CCCCMMMM 	C32H58N8O9S8	954.2093	NA	PeJP	NA	NA
+PJ098213	GSCCCCCNY 	C33H50N10O13S5	954.2163	NA	PeJP	NA	NA
+PJ098214	CCCCDMMF 	C35H54N8O11S6	954.2237	NA	PeJP	NA	NA
+PJ098215	CCCDDEMH 	C33H50N10O15S4	954.234	NA	PeJP	NA	NA
+PJ098216	CCCCDDFF 	C38H50N8O13S4	954.2381	NA	PeJP	NA	NA
+PJ098217	DDDDDDDM 	C33H46N8O23S	954.2397	NA	PeJP	NA	NA
+PJ098218	SCCCDMMY 	C35H54N8O13S5	954.2414	NA	PeJP	NA	NA
+PJ098219	CCCCCHHF 	C36H50N12O9S5	954.2428	NA	PeJP	NA	NA
+PJ098220	GSCCCCNEH 	C32H50N12O14S4	954.2453	NA	PeJP	NA	NA
+PJ098221	GSCNDDDDD 	C32H46N10O22S	954.2509	NA	PeJP	NA	NA
+PJ098222	GPCCCNDDE 	C33H50N10O17S3	954.2518	NA	PeJP	NA	NA
+PJ098223	GCCCDEYY 	C38H50N8O15S3	954.2558	NA	PeJP	NA	NA
+PJ098224	ACCCMMMY 	C36H58N8O10S6	954.2601	NA	PeJP	NA	NA
+PJ098225	SCCCCNHW 	C36H50N12O11S4	954.2605	NA	PeJP	NA	NA
+PJ098226	SSSCCCNDH 	C32H50N12O16S3	954.263	NA	PeJP	NA	NA
+PJ098227	CCCNNMMH 	C33H54N12O11S5	954.2639	NA	PeJP	NA	NA
+PJ098228	PCCCNDDW 	C37H50N10O14S3	954.2671	NA	PeJP	NA	NA
+PJ098229	CNNDDDEM 	C33H50N10O19S2	954.2696	NA	PeJP	NA	NA
+PJ098230	SCCDEMMH 	C34H54N10O14S4	954.2704	NA	PeJP	NA	NA
+PJ098231	CCCDYYW 	C42H50N8O12S3	954.2711	NA	PeJP	NA	NA
+PJ098232	PCCCMMMH 	C35H58N10O9S6	954.2713	NA	PeJP	NA	NA
+PJ098233	SSCCDDYY 	C38H50N8O17S2	954.2736	NA	PeJP	NA	NA
+PJ098234	GCCCNNNNN 	C31H50N14O15S3	954.2743	NA	PeJP	NA	NA
+PJ098235	PTCCCCYY 	C39H54N8O12S4	954.2744	NA	PeJP	NA	NA
+PJ098236	CCCCCQHR 	C32H54N14O10S5	954.2751	NA	PeJP	NA	NA
+PJ098237	SDDDDEEM 	C34H50N8O22S	954.2761	NA	PeJP	NA	NA
+PJ098238	PCDDDEMM 	C35H54N8O17S3	954.277	NA	PeJP	NA	NA
+PJ098239	SSCCMMMY 	C36H58N8O12S5	954.2778	NA	PeJP	NA	NA
+PJ098240	CCCNNDHF 	C36H50N12O13S3	954.2783	NA	PeJP	NA	NA
+MJ098554	Sucrose; 1',3',6'-Tris-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,6-di-Ac 	C46H50O22	954.279373	NA	MeJP	NA	NA
+PJ098241	CCNDDDDR 	C32H50N12O18S2	954.2808	NA	PeJP	NA	NA
+PJ098242	GTTCCCCQH 	C33H54N12O13S4	954.2816	NA	PeJP	NA	NA
+PJ098243	GSSCCCQMH 	C33H54N12O13S4	954.2817	NA	PeJP	NA	NA
+PJ098244	GCNDDDMW 	C37H50N10O16S2	954.2848	NA	PeJP	NA	NA
+PJ098245	GSPPCCCCW 	C38H54N10O11S4	954.2857	NA	PeJP	NA	NA
+PJ098246	GSSNDDDDM 	C33H50N10O21S	954.2873	NA	PeJP	NA	NA
+PJ098247	GSPCCNDEM 	C34H54N10O16S3	954.2882	NA	PeJP	NA	NA
+PJ098248	APPCCCCQM 	C35H58N10O11S5	954.289	NA	PeJP	NA	NA
+PJ098249	GCDMMMMH 	C35H58N10O11S5	954.2891	NA	PeJP	NA	NA
+PJ098250	SCCCEHHH 	C35H50N14O12S3	954.2895	NA	PeJP	NA	NA
+PJ098251	CCCMFYW 	C43H54N8O9S4	954.2897	NA	PeJP	NA	NA
+PJ098252	PCDDDDEF 	C38H50N8O19S	954.2913	NA	PeJP	NA	NA
+PJ098253	GSCCEMYY 	C39H54N8O14S3	954.2922	NA	PeJP	NA	NA
+PJ098254	GSSCCCCHR 	C32H54N14O12S4	954.2929	NA	PeJP	NA	NA
+PJ098255	ACCCMMFF 	C40H58N8O9S5	954.2931	NA	PeJP	NA	NA
+C11543	Cobalt-dihydro-precorrin 6	C44H55CoN4O16	954.2945	NA	KEGG	NA	NA
+PJ098256	GDDEEEMM 	C35H54N8O19S2	954.2947	NA	PeJP	NA	NA
+PJ098257	SDDDDDHH 	C35H46N12O20	954.2952	NA	PeJP	NA	NA
+PJ098258	SCCNNNDW 	C36H50N12O15S2	954.296	NA	PeJP	NA	NA
+PJ098259	GGGGSCCNDW 	C36H50N12O15S2	954.2961	NA	PeJP	NA	NA
+PJ098260	SSSCNNNDD 	C32H50N12O20S	954.2985	NA	PeJP	NA	NA
+PJ098261	GGGGSSSCNDD 	C32H50N12O20S	954.2986	NA	PeJP	NA	NA
+PJ098262	GSPCCCDDR 	C33H54N12O15S3	954.2994	NA	PeJP	NA	NA
+PJ098263	CCNDEWW 	C41H50N10O13S2	954.3001	NA	PeJP	NA	NA
+PJ098264	APPCCCCCR 	C34H58N12O10S5	954.3003	NA	PeJP	NA	NA
+MJ098555	Purpureaside C; 2,2',3',4'-Tetra-Ac 	C43H54O24	954.300502	NA	MeJP	NA	NA
+PJ098265	SSCNDDEW 	C37H50N10O18S	954.3026	NA	PeJP	NA	NA
+PJ098266	SPCCNDMW 	C38H54N10O13S3	954.3034	NA	PeJP	NA	NA
+PJ098267	GGGPPCCCDF 	C38H54N10O13S3	954.3035	NA	PeJP	NA	NA
+PJ098268	SSSSNDDDE 	C33H50N10O23	954.3051	NA	PeJP	NA	NA
+PJ098269	SNNDDEMM 	C34H54N10O18S2	954.3059	NA	PeJP	NA	NA
+PJ098270	GGGGSDDEMM 	C34H54N10O18S2	954.306	NA	PeJP	NA	NA
+PJ098271	CNDDYYY 	C42H50N8O16S	954.3066	NA	PeJP	NA	NA
+PJ098272	SSCEMMMH 	C35H58N10O13S4	954.3068	NA	PeJP	NA	NA
+PJ098273	SCCMYYW 	C43H54N8O11S3	954.3074	NA	PeJP	NA	NA
+PJ098274	GPCCCFYY 	C43H54N8O11S3	954.3075	NA	PeJP	NA	NA
+PJ098275	GCCMMHHH 	C36H54N14O9S4	954.3082	NA	PeJP	NA	NA
+PJ098276	SPDDDDEY 	C38H50N8O21	954.3091	NA	PeJP	NA	NA
+PJ098277	SSSCDMYY 	C39H54N8O16S2	954.3099	NA	PeJP	NA	NA
+PJ098278	DDEEMMW 	C39H54N8O16S2	954.31	NA	PeJP	NA	NA
+PJ098279	CCCNNNER 	C32H54N14O14S3	954.3106	NA	PeJP	NA	NA
+PJ098280	GGCCCNNER 	C32H54N14O14S3	954.3107	NA	PeJP	NA	NA
+PJ098281	CNMMMYY 	C40H58N8O11S4	954.3108	NA	PeJP	NA	NA
+PJ098282	CCCCCKHR 	C33H58N14O9S5	954.3115	NA	PeJP	NA	NA
+PJ098283	SSDEEEEM 	C35H54N8O21S	954.3125	NA	PeJP	NA	NA
+PJ098284	SPDDEMMM 	C36H58N8O16S3	954.3133	NA	PeJP	NA	NA
+PJ098285	CNNNNDDF 	C36H50N12O17S	954.3138	NA	PeJP	NA	NA
+PJ098286	PPCDMMMM 	C37H62N8O11S5	954.3142	NA	PeJP	NA	NA
+PJ098287	GCCNNQMW 	C37H54N12O12S3	954.3147	NA	PeJP	NA	NA
+PJ098288	GCCDWWW 	C45H50N10O10S2	954.3153	NA	PeJP	NA	NA
+PJ098289	SCNDDDMR 	C33H54N12O17S2	954.3172	NA	PeJP	NA	NA
+PJ098290	GSSCDDWW 	C41H50N10O15S	954.3178	NA	PeJP	NA	NA
+PJ098291	PCCCNEMR 	C34H58N12O12S4	954.318	NA	PeJP	NA	NA
+PJ098292	GGPCCCEMR 	C34H58N12O12S4	954.3181	NA	PeJP	NA	NA
+PJ098293	CCNNNNHH 	C34H50N16O13S2	954.3185	NA	PeJP	NA	NA
+PJ098294	GPTCCCWW 	C42H54N10O10S3	954.3187	NA	PeJP	NA	NA
+PJ098295	GSSSSDDDW 	C37H50N10O20	954.3203	NA	PeJP	NA	NA
+PJ098296	GSNDDMMW 	C38H54N10O15S2	954.3212	NA	PeJP	NA	NA
+PJ098297	GPCCQMMW 	C39H58N10O10S4	954.3221	NA	PeJP	NA	NA
+PJ098298	GCCDHHHF 	C39H50N14O11S2	954.3225	NA	PeJP	NA	NA
+PJ098299	CCCFFFW 	C47H54N8O8S3	954.3227	NA	PeJP	NA	NA
+PJ098300	GSSSNDEEM 	C34H54N10O20S	954.3237	NA	PeJP	NA	NA
+PJ098301	DDDEEFW 	C42H50N8O18	954.3243	NA	PeJP	NA	NA
+PJ098302	GNNEEMMM 	C35H58N10O15S3	954.3246	NA	PeJP	NA	NA
+PJ098303	SCNNDEHH 	C35H50N14O16S	954.325	NA	PeJP	NA	NA
+PJ098304	GGGGSCDEHH 	C35H50N14O16S	954.3251	NA	PeJP	NA	NA
+PJ098305	GSPCCYYY 	C43H54N8O13S2	954.3252	NA	PeJP	NA	NA
+PJ098306	GSMMMMMH 	C36H62N10O10S5	954.3254	NA	PeJP	NA	NA
+PJ098307	GCCCNNRW 	C36H54N14O11S3	954.3259	NA	PeJP	NA	NA
+PJ098308	GPDDEEMY 	C39H54N8O18S	954.3277	NA	PeJP	NA	NA
+PJ098309	GSSCCNNDR 	C32H54N14O16S2	954.3284	NA	PeJP	NA	NA
+PJ098310	GSTCMMYY 	C40H58N8O13S3	954.3286	NA	PeJP	NA	NA
+PJ098311	DDDMHHW 	C40H50N12O14S	954.3291	NA	PeJP	NA	NA
+PJ098312	PCCCCDRR 	C33H58N14O11S4	954.3293	NA	PeJP	NA	NA
+PJ098313	GTEEEEMM 	C36H58N8O18S2	954.3311	NA	PeJP	NA	NA
+PJ098314	SNNNNDDY 	C36H50N12O19	954.3315	NA	PeJP	NA	NA
+PJ098315	GGSNNNDDY 	C36H50N12O19	954.3316	NA	PeJP	NA	NA
+PJ098316	GPEEMMMM 	C37H62N8O13S4	954.332	NA	PeJP	NA	NA
+PJ098317	GSCCDERW 	C37H54N12O14S2	954.3324	NA	PeJP	NA	NA
+PJ098318	GGGGGGGAPCCY 	C37H54N12O14S2	954.3325	NA	PeJP	NA	NA
+PJ098319	GPCCCMRW 	C38H58N12O9S4	954.3333	NA	PeJP	NA	NA
+PJ098320	GSSSCDDER 	C33H54N12O19S	954.3349	NA	PeJP	NA	NA
+PJ098321	NNDDEYW 	C41H50N10O17	954.3356	NA	PeJP	NA	NA
+PJ098322	GCNDEMMR 	C34H58N12O14S3	954.3358	NA	PeJP	NA	NA
+PJ098323	SCNEMWW 	C42H54N10O12S2	954.3364	NA	PeJP	NA	NA
+PJ098324	GGSCEMWW 	C42H54N10O12S2	954.3365	NA	PeJP	NA	NA
+PJ098325	CCCCKKMH 	C35H62N12O9S5	954.3367	NA	PeJP	NA	NA
+PJ098326	SSSNDEMW 	C38H54N10O17S	954.3389	NA	PeJP	NA	NA
+PJ098327	GGSSSDEMW 	C38H54N10O17S	954.339	NA	PeJP	NA	NA
+PJ098328	NNEMMMW 	C39H58N10O12S3	954.3398	NA	PeJP	NA	NA
+PJ098329	GSCNDHHW 	C39H50N14O13S	954.3403	NA	PeJP	NA	NA
+PJ098330	ACCFYYW 	C47H54N8O10S2	954.3405	NA	PeJP	NA	NA
+PJ098331	SSSSSNEEE 	C34H54N10O22	954.3414	NA	PeJP	NA	NA
+PJ098332	GGSSSSSEEE 	C34H54N10O22	954.3415	NA	PeJP	NA	NA
+PJ098333	SSNQEEMM 	C35H58N10O17S2	954.3423	NA	PeJP	NA	NA
+PJ098334	GSSSNDDHH 	C35H50N14O18	954.3428	NA	PeJP	NA	NA
+PJ098335	PDDEMYW 	C43H54N8O15S	954.343	NA	PeJP	NA	NA
+PJ098336	SSTMMMMH 	C36H62N10O12S4	954.3432	NA	PeJP	NA	NA
+PJ098337	GNNDMMHH 	C36H54N14O13S2	954.3437	NA	PeJP	NA	NA
+PJ098338	CNMMFFY 	C44H58N8O10S3	954.3438	NA	PeJP	NA	NA
+PJ098339	QEEEEEY 	C39H54N8O20	954.3455	NA	PeJP	NA	NA
+PJ098340	TEEEMMW 	C40H58N8O15S2	954.3463	NA	PeJP	NA	NA
+PJ098341	GPDEEMMF 	C40H58N8O15S2	954.3464	NA	PeJP	NA	NA
+PJ098342	GPNDDDHW 	C40H50N12O16	954.3468	NA	PeJP	NA	NA
+PJ098343	GCCDDMRR 	C33H58N14O13S3	954.347	NA	PeJP	NA	NA
+PJ098344	GGGGGGTCCMR 	C33H58N14O13S3	954.3471	NA	PeJP	NA	NA
+PJ098345	PEMMMMW 	C41H62N8O10S4	954.3472	NA	PeJP	NA	NA
+PJ098346	SCCDRWW 	C41H54N12O11S2	954.3477	NA	PeJP	NA	NA
+PJ098347	STTEEEEM 	C36H58N8O20S	954.3488	NA	PeJP	NA	NA
+PJ098348	GVEEEMMM 	C37H62N8O15S3	954.3497	NA	PeJP	NA	NA
+PJ098349	SSSCDDRW 	C37H54N12O16S	954.3502	NA	PeJP	NA	NA
+PJ098350	SPPMMMMM 	C38H66N8O10S5	954.3506	NA	PeJP	NA	NA
+PJ098351	GNDDYWW 	C45H50N10O14	954.3508	NA	PeJP	NA	NA
+PJ098352	CNDMMRW 	C38H58N12O11S3	954.351	NA	PeJP	NA	NA
+PJ098353	GGCDMMRW 	C38H58N12O11S3	954.3511	NA	PeJP	NA	NA
+PJ098354	GSCMWWW 	C46H54N10O9S2	954.3517	NA	PeJP	NA	NA
+PJ098355	SSSSSDDDR 	C33H54N12O21	954.3527	NA	PeJP	NA	NA
+PJ098356	GSSSNNQMM 	C34H58N12O16S2	954.3535	NA	PeJP	NA	NA
+PJ098357	SSNDDMMR 	C34H58N12O16S2	954.3536	NA	PeJP	NA	NA
+PJ098358	NNNNNNDH 	C34H50N16O17	954.354	NA	PeJP	NA	NA
+PJ098359	GGGGGGGGNNDH 	C34H50N16O17	954.3541	NA	PeJP	NA	NA
+PJ098360	GSSSDMWW 	C42H54N10O14S	954.3542	NA	PeJP	NA	NA
+PJ098361	SPCCQMMR 	C35H62N12O11S4	954.3544	NA	PeJP	NA	NA
+PJ098362	GCCNEHHR 	C35H54N16O12S2	954.3549	NA	PeJP	NA	NA
+PJ098363	GNMMMWW 	C43H58N10O9S3	954.3551	NA	PeJP	NA	NA
+PJ098364	GSSSSSEEW 	C38H54N10O19	954.3567	NA	PeJP	NA	NA
+PJ098365	GSSQEMMW 	C39H58N10O14S2	954.3576	NA	PeJP	NA	NA
+PJ098366	GNNDDHHF 	C39H50N14O15	954.3581	NA	PeJP	NA	NA
+PJ098367	GTCYYYW 	C47H54N8O12S	954.3582	NA	PeJP	NA	NA
+PJ098368	SCCCNNRR 	C32H58N16O12S3	954.3583	NA	PeJP	NA	NA
+PJ098369	QMMMMHF 	C40H62N10O9S4	954.3584	NA	PeJP	NA	NA
+PJ098370	GPCCKMMW 	C40H62N10O9S4	954.3585	NA	PeJP	NA	NA
+PJ098371	CNQMHHW 	C40H54N14O10S2	954.3589	NA	PeJP	NA	NA
+PJ098372	GSSSTQEEM 	C35H58N10O19S	954.3601	NA	PeJP	NA	NA
+PJ098373	AEEEEYW 	C43H54N8O17	954.3607	NA	PeJP	NA	NA
+PJ098374	EEEMMMR 	C36H62N10O14S3	954.3609	NA	PeJP	NA	NA
+PJ098375	GNDKEMMM 	C36H62N10O14S3	954.361	NA	PeJP	NA	NA
+PJ098376	GCNNNDRY 	C36H54N14O15S	954.3614	NA	PeJP	NA	NA
+PJ098377	GGGGGGGGPDMH 	C36H54N14O15S	954.3615	NA	PeJP	NA	NA
+PJ098378	PDEMMFW 	C44H58N8O12S2	954.3616	NA	PeJP	NA	NA
+PJ098379	CCCERRW 	C37H58N14O10S3	954.3623	NA	PeJP	NA	NA
+PJ098380	GCNNHHHH 	C37H50N18O11S	954.3628	NA	PeJP	NA	NA
+PJ098381	GPTEEEMY 	C40H58N8O17S	954.3641	NA	PeJP	NA	NA
+PJ098382	SSCCDERR 	C33H58N14O15S2	954.3648	NA	PeJP	NA	NA
+PJ098383	VEEMMMW 	C41H62N8O12S3	954.365	NA	PeJP	NA	NA
+PJ098384	NNNNMYW 	C41H54N12O13S	954.3654	NA	PeJP	NA	NA
+PJ098385	GGGGGGNMYW 	C41H54N12O13S	954.3655	NA	PeJP	NA	NA
+PJ098386	SPCCCMRR 	C34H62N14O10S4	954.3657	NA	PeJP	NA	NA
+PJ098387	ACCMRWW 	C42H58N12O8S3	954.3663	NA	PeJP	NA	NA
+PJ098388	SSLEEEMM 	C37H62N8O17S2	954.3675	NA	PeJP	NA	NA
+PJ098389	SSSSSSNNW 	C37H54N12O18	954.3679	NA	PeJP	NA	NA
+PJ098390	GGGTDDDRY 	C37H54N12O18	954.368	NA	PeJP	NA	NA
+PJ098391	SPVEMMMM 	C38H66N8O12S4	954.3683	NA	PeJP	NA	NA
+PJ098392	GSSCEMRW 	C38H58N12O13S2	954.3688	NA	PeJP	NA	NA
+PJ098393	GSDEHHHH 	C38H50N16O14	954.3693	NA	PeJP	NA	NA
+PJ098394	SSTCWWW 	C46H54N10O11S	954.3695	NA	PeJP	NA	NA
+PJ098395	CMMMHFR 	C39H62N12O8S4	954.3697	NA	PeJP	NA	NA
+PJ098396	CCNHHRW 	C39H54N16O9S2	954.3701	NA	PeJP	NA	NA
+PJ098397	GGCCHHRW 	C39H54N16O9S2	954.3702	NA	PeJP	NA	NA
+PJ098398	GSSSSDEMR 	C34H58N12O18S	954.3713	NA	PeJP	NA	NA
+PJ098399	SNQEEYW 	C42H54N10O16	954.3719	NA	PeJP	NA	NA
+PJ098400	SSSSSEWW 	C42H54N10O16	954.372	NA	PeJP	NA	NA
+PJ098401	GSNEMMMR 	C35H62N12O13S3	954.3722	NA	PeJP	NA	NA
+PJ098402	SSCNDHHR 	C35H54N16O14S	954.3727	NA	PeJP	NA	NA
+PJ098403	SSQMMWW 	C43H58N10O11S2	954.3728	NA	PeJP	NA	NA
+PJ098404	GGGAPPCCFF 	C43H58N10O11S2	954.3729	NA	PeJP	NA	NA
+PJ098405	SSSTQEMW 	C39H58N10O16S	954.3753	NA	PeJP	NA	NA
+PJ098406	GGGGGVEEMY 	C39H58N10O16S	954.3754	NA	PeJP	NA	NA
+PJ098407	SSSYYYW 	C47H54N8O14	954.376	NA	PeJP	NA	NA
+PJ098408	NDKMMMW 	C40H62N10O11S3	954.3762	NA	PeJP	NA	NA
+PJ098409	GSSNMHHW 	C40H54N14O12S	954.3767	NA	PeJP	NA	NA
+PJ098410	CNMFFFF 	C48H58N8O9S2	954.3769	NA	PeJP	NA	NA
+PJ098411	SSSSSDKEE 	C35H58N10O21	954.3778	NA	PeJP	NA	NA
+PJ098412	SSNKEEMM 	C36H62N10O16S2	954.3787	NA	PeJP	NA	NA
+PJ098413	SPNDDDHR 	C36H54N14O17	954.3792	NA	PeJP	NA	NA
+PJ098414	STQMYYY 	C44H58N8O14S	954.3793	NA	PeJP	NA	NA
+PJ098415	PTEEMYW 	C44H58N8O14S	954.3794	NA	PeJP	NA	NA
+PJ098416	GVQQMMMM 	C37H66N10O11S4	954.3796	NA	PeJP	NA	NA
+PJ098417	GCNNNMFR 	C37H58N14O12S2	954.38	NA	PeJP	NA	NA
+PJ098418	GGGCNNMFR 	C37H58N14O12S2	954.3801	NA	PeJP	NA	NA
+PJ098419	PPMMMYW 	C45H62N8O9S3	954.3802	NA	PeJP	NA	NA
+MJ098556	Chlorothricin 	C50H63ClO16	954.380463	NA	MeJP	NA	NA
+PJ098420	PCEHHFW 	C45H54N12O10S	954.3807	NA	PeJP	NA	NA
+PJ098421	SPTTEEEY 	C40H58N8O19	954.3818	NA	PeJP	NA	NA
+PJ098422	KEEEEEY 	C40H58N8O19	954.3819	NA	PeJP	NA	NA
+PJ098423	SSSSSCNQR 	C33H58N14O17S	954.3825	NA	PeJP	NA	NA
+PJ098424	GGGGSSSSTCR 	C33H58N14O17S	954.3826	NA	PeJP	NA	NA
+PJ098425	GPVEEMMY 	C41H62N8O14S2	954.3827	NA	PeJP	NA	NA
+PJ098426	SNDDRYW 	C41H54N12O15	954.3832	NA	PeJP	NA	NA
+PJ098427	GSCDMMRR 	C34H62N14O12S3	954.3834	NA	PeJP	NA	NA
+PJ098428	APPMMMMF 	C42H66N8O9S4	954.3836	NA	PeJP	NA	NA
+PJ098429	SSCMRWW 	C42H58N12O10S2	954.3841	NA	PeJP	NA	NA
+PJ098430	SDHHHHW 	C42H50N16O11	954.3845	NA	PeJP	NA	NA
+PJ098431	CQFWWW 	C50H54N10O8S	954.3847	NA	PeJP	NA	NA
+PJ098432	ATLEEMMM 	C38H66N8O14S3	954.3861	NA	PeJP	NA	NA
+PJ098433	SSSSDMRW 	C38H58N12O15S	954.3866	NA	PeJP	NA	NA
+PJ098434	APLMMMMM 	C39H70N8O9S5	954.387	NA	PeJP	NA	NA
+PJ098435	GSQEYWW 	C46H54N10O13	954.3872	NA	PeJP	NA	NA
+PJ098436	SNMMMRW 	C39H62N12O10S3	954.3874	NA	PeJP	NA	NA
+PJ098437	GGACCCKKW 	C39H62N12O10S3	954.3875	NA	PeJP	NA	NA
+PJ098438	QEMHHHH 	C39H54N16O11S	954.3879	NA	PeJP	NA	NA
+PJ098439	GMMHFFW 	C47H58N10O8S2	954.3881	NA	PeJP	NA	NA
+PJ098440	SSSSSSEER 	C34H58N12O20	954.3891	NA	PeJP	NA	NA
+PJ098441	SSSQEMMR 	C35H62N12O15S2	954.3899	NA	PeJP	NA	NA
+PJ098442	GGGGGSSSKMM 	C35H62N12O15S2	954.39	NA	PeJP	NA	NA
+PJ098443	GNNNDEHR 	C35H54N16O16	954.3904	NA	PeJP	NA	NA
+PJ098444	GGGGGGGGGGGATH 	C35H54N16O16	954.3905	NA	PeJP	NA	NA
+PJ098445	GSSTTMWW 	C43H58N10O13S	954.3906	NA	PeJP	NA	NA
+PJ098446	QQMMMMR 	C36H66N12O10S4	954.3908	NA	PeJP	NA	NA
+PJ098447	NFYYYW 	C51H54N8O11	954.3912	NA	PeJP	NA	NA
+PJ098448	GSCQMHHR 	C36H58N16O11S2	954.3913	NA	PeJP	NA	NA
+PJ098449	ACKMMWW 	C44H62N10O8S3	954.3915	NA	PeJP	NA	NA
+PJ098450	CQHHHFF 	C44H54N14O9S	954.3919	NA	PeJP	NA	NA
+PJ098451	GSSSTTTEW 	C39H58N10O18	954.3931	NA	PeJP	NA	NA
+PJ098452	SSSLNMMW 	C40H62N10O13S2	954.3939	NA	PeJP	NA	NA
+PJ098453	GSSKEMMW 	C40H62N10O13S2	954.394	NA	PeJP	NA	NA
+PJ098454	SSSSQHHW 	C40H54N14O14	954.3944	NA	PeJP	NA	NA
+PJ098455	GGGGGAQEHW 	C40H54N14O14	954.3945	NA	PeJP	NA	NA
+PJ098456	PPDMFYW 	C48H58N8O11S	954.3946	NA	PeJP	NA	NA
+PJ098457	KMMMMHF 	C41H66N10O8S4	954.3948	NA	PeJP	NA	NA
+PJ098458	GPPCCHRW 	C41H58N14O9S2	954.3953	NA	PeJP	NA	NA
+PJ098459	SSSSSLQEM 	C36H62N10O18S	954.3964	NA	PeJP	NA	NA
+PJ098460	GSSSTKEEM 	C36H62N10O18S	954.3965	NA	PeJP	NA	NA
+PJ098461	SLEEEYW 	C44H58N8O16	954.3971	NA	PeJP	NA	NA
+PJ098462	GTQKEMMM 	C37H66N10O13S3	954.3973	NA	PeJP	NA	NA
+PJ098463	CNDERRY 	C37H58N14O14S	954.3978	NA	PeJP	NA	NA
+PJ098464	PVEMMYW 	C45H62N8O11S2	954.398	NA	PeJP	NA	NA
+PJ098465	NNNNFFW 	C45H54N12O12	954.3984	NA	PeJP	NA	NA
+PJ098466	SPNEHWW 	C45H54N12O12	954.3985	NA	PeJP	NA	NA
+PJ098467	TCCMRRW 	C38H62N14O9S3	954.3987	NA	PeJP	NA	NA
+PJ098468	CEHHHHR 	C38H54N18O10S	954.3991	NA	PeJP	NA	NA
+PJ098469	GSSSSSSSNR 	C33H58N14O19	954.4003	NA	PeJP	NA	NA
+PJ098470	AALEEEMY 	C41H62N8O16S	954.4005	NA	PeJP	NA	NA
+PJ098471	SSSCEMRR 	C34H62N14O14S2	954.4012	NA	PeJP	NA	NA
+PJ098472	SPPVMMMY 	C42H66N8O11S3	954.4014	NA	PeJP	NA	NA
+PJ098473	GNEMRYW 	C42H58N12O12S	954.4018	NA	PeJP	NA	NA
+PJ098474	GGGGGAPPPCW 	C42H58N12O12S	954.4019	NA	PeJP	NA	NA
+PJ098475	CQMMMRR 	C35H66N14O9S4	954.402	NA	PeJP	NA	NA
+PJ098476	GACMMMRR 	C35H66N14O9S4	954.4021	NA	PeJP	NA	NA
+PJ098477	SQYWWW 	C50H54N10O10	954.4025	NA	PeJP	NA	NA
+PJ098478	AMHHHHW 	C43H54N16O8S	954.4032	NA	PeJP	NA	NA
+PJ098479	TTTLEEMM 	C38H66N8O16S2	954.4039	NA	PeJP	NA	NA
+PJ098480	GSSQEERY 	C38H58N12O17	954.4043	NA	PeJP	NA	NA
+PJ098481	GGGGALEEEH 	C38H58N12O17	954.4044	NA	PeJP	NA	NA
+PJ098482	GLLEMMMM 	C39H70N8O11S4	954.4047	NA	PeJP	NA	NA
+PJ098483	GSSTMMRW 	C39H62N12O12S2	954.4052	NA	PeJP	NA	NA
+PJ098484	NNNDHRW 	C39H54N16O13	954.4057	NA	PeJP	NA	NA
+PJ098485	AAQMYWW 	C47H58N10O10S	954.4058	NA	PeJP	NA	NA
+PJ098486	GGGVMYWW 	C47H58N10O10S	954.4059	NA	PeJP	NA	NA
+PJ098487	NHHHHHH 	C40H50N20O9	954.407	NA	PeJP	NA	NA
+PJ098488	GSSSTTEMR 	C35H62N12O17S	954.4077	NA	PeJP	NA	NA
+PJ098489	SSSTTTWW 	C43H58N10O15	954.4083	NA	PeJP	NA	NA
+PJ098490	GGSKEEYW 	C43H58N10O15	954.4084	NA	PeJP	NA	NA
+PJ098491	GSDKMMMR 	C36H66N12O12S3	954.4086	NA	PeJP	NA	NA
+PJ098492	SSSNMHHR 	C36H58N16O13S	954.409	NA	PeJP	NA	NA
+PJ098493	GPCDDHRR 	C36H58N16O13S	954.4091	NA	PeJP	NA	NA
+C18010	Deltorphin A	C44H62N10O10S2	954.4092	NA	KEGG	NA	NA
+PJ098494	SSKMMWW 	C44H62N10O10S2	954.4092	NA	PeJP	NA	NA
+PJ098495	GNQQHWW 	C44H54N14O11	954.4097	NA	PeJP	NA	NA
+PJ098496	SSSTKEMW 	C40H62N10O15S	954.4117	NA	PeJP	NA	NA
+PJ098497	PPTEYYW 	C48H58N8O13	954.4124	NA	PeJP	NA	NA
+PJ098498	TQKMMMW 	C41H66N10O10S3	954.4126	NA	PeJP	NA	NA
+PJ098499	GCDRRYW 	C41H58N14O11S	954.4131	NA	PeJP	NA	NA
+PJ098500	PPMMFFW 	C49H62N8O8S2	954.4132	NA	PeJP	NA	NA
+PJ098501	CCMMRRR 	C34H66N16O8S4	954.4133	NA	PeJP	NA	NA
+PJ098502	GSPHWWW 	C49H54N12O9	954.4137	NA	PeJP	NA	NA
+PJ098503	SSSSTTKEE 	C36H62N10O20	954.4142	NA	PeJP	NA	NA
+PJ098504	SSDKKEMM 	C37H66N10O15S2	954.4151	NA	PeJP	NA	NA
+PJ098505	SSSNNQRY 	C37H58N14O16	954.4155	NA	PeJP	NA	NA
+PJ098506	GSSDDRRY 	C37H58N14O16	954.4156	NA	PeJP	NA	NA
+PJ098507	VVEEMYW 	C45H62N8O13S	954.4157	NA	PeJP	NA	NA
+PJ098508	GPVEEMFF 	C45H62N8O13S	954.4158	NA	PeJP	NA	NA
+PJ098509	GVQKMMMM 	C38H70N10O10S4	954.416	NA	PeJP	NA	NA
+PJ098510	GPTCCRRY 	C38H62N14O11S2	954.4164	NA	PeJP	NA	NA
+PJ098511	GGGGACCKFR 	C38H62N14O11S2	954.4165	NA	PeJP	NA	NA
+PJ098512	PLMMMFW 	C46H66N8O8S3	954.4166	NA	PeJP	NA	NA
+PJ098513	NMRYWW 	C46H58N12O9S	954.4171	NA	PeJP	NA	NA
+PJ098514	ATTLEEEY 	C41H62N8O18	954.4182	NA	PeJP	NA	NA
+PJ098515	SSSSSCNKR 	C34H62N14O16S	954.4189	NA	PeJP	NA	NA
+PJ098516	APTLEMMY 	C42H66N8O13S2	954.4191	NA	PeJP	NA	NA
+PJ098517	SSQERYW 	C42H58N12O14	954.4196	NA	PeJP	NA	NA
+PJ098518	GSSMMMRR 	C35H66N14O11S3	954.4198	NA	PeJP	NA	NA
+PJ098519	LLMMMMW 	C43H70N8O8S4	954.42	NA	PeJP	NA	NA
+PJ098520	VCNMFRW 	C43H62N12O9S2	954.4204	NA	PeJP	NA	NA
+PJ098521	PCCKRYW 	C43H62N12O9S2	954.4205	NA	PeJP	NA	NA
+PJ098522	TTHHHHW 	C43H54N16O10	954.4209	NA	PeJP	NA	NA
+PJ098523	CKFWWW 	C51H58N10O7S	954.4211	NA	PeJP	NA	NA
+PJ098524	STLLEMMM 	C39H70N8O13S3	954.4225	NA	PeJP	NA	NA
+PJ098525	SSSTTMRW 	C39H62N12O14S	954.4229	NA	PeJP	NA	NA
+PJ098526	GGDKEMRY 	C39H62N12O14S	954.423	NA	PeJP	NA	NA
+PJ098527	GSKEYWW 	C47H58N10O12	954.4236	NA	PeJP	NA	NA
+PJ098528	TCKMMRW 	C40H66N12O9S3	954.4238	NA	PeJP	NA	NA
+PJ098529	NNMHHFR 	C40H58N16O10S	954.4243	NA	PeJP	NA	NA
+PJ098530	SSSSTTTER 	C35H62N12O19	954.4254	NA	PeJP	NA	NA
+PJ098531	GGGSSSSSTTK 	C35H62N12O19	954.4255	NA	PeJP	NA	NA
+PJ098532	SSSKEMMR 	C36H66N12O14S2	954.4263	NA	PeJP	NA	NA
+PJ098533	NDEEHRR 	C36H58N16O15	954.4268	NA	PeJP	NA	NA
+PJ098534	AQKEMYW 	C44H62N10O12S	954.427	NA	PeJP	NA	NA
+PJ098535	QKMMMMR 	C37H70N12O9S4	954.4272	NA	PeJP	NA	NA
+PJ098536	PPDFFFW 	C52H58N8O10	954.4276	NA	PeJP	NA	NA
+PJ098537	CCDFRRR 	C37H62N16O10S2	954.4277	NA	PeJP	NA	NA
+PJ098538	APCHRWW 	C45H58N14O8S	954.4283	NA	PeJP	NA	NA
+PJ098539	SSSSSTTLW 	C40H62N10O17	954.4295	NA	PeJP	NA	NA
+PJ098540	GTTTKMMW 	C41H66N10O12S2	954.4303	NA	PeJP	NA	NA
+PJ098541	GGAPTKMMY 	C41H66N10O12S2	954.4304	NA	PeJP	NA	NA
+PJ098542	AQEEHRW 	C41H58N14O13	954.4308	NA	PeJP	NA	NA
+PJ098543	GGGGGGGGPVHF 	C41H58N14O13	954.4309	NA	PeJP	NA	NA
+PJ098544	PPVMYYW 	C49H62N8O10S	954.431	NA	PeJP	NA	NA
+PJ098545	GCMFRRW 	C42H62N14O8S2	954.4317	NA	PeJP	NA	NA
+PJ098546	GPPHHHHH 	C42H54N18O9	954.4322	NA	PeJP	NA	NA
+PJ098547	SSSSSLKEM 	C37H66N10O17S	954.4328	NA	PeJP	NA	NA
+PJ098548	AAPLEEYY 	C45H62N8O15	954.4335	NA	PeJP	NA	NA
+PJ098549	GTKKEMMM 	C38H70N10O12S3	954.4337	NA	PeJP	NA	NA
+PJ098550	SNEMRRY 	C38H62N14O13S	954.4342	NA	PeJP	NA	NA
+PJ098551	VLEMMFW 	C46H66N8O10S2	954.4344	NA	PeJP	NA	NA
+PJ098552	GSTRYWW 	C46H58N12O11	954.4348	NA	PeJP	NA	NA
+PJ098553	GGALEHWW 	C46H58N12O11	954.4349	NA	PeJP	NA	NA
+PJ098554	LMMMHHR 	C39H66N14O8S3	954.4351	NA	PeJP	NA	NA
+PJ098555	TMHHHHR 	C39H58N18O9S	954.4355	NA	PeJP	NA	NA
+MJ098557	Tetrocarcin E1 	C49H66N2O17	954.436148	NA	MeJP	NA	NA
+MJ098558	Tetrocarcin E2 	C49H66N2O17	954.436148	NA	MeJP	NA	NA
+PJ098556	GTLLEEMY 	C42H66N8O15S	954.4369	NA	PeJP	NA	NA
+PJ098557	SSSTMMRR 	C35H66N14O13S2	954.4375	NA	PeJP	NA	NA
+PJ098558	GSSSCCKKR 	C35H66N14O13S2	954.4376	NA	PeJP	NA	NA
+PJ098559	GPLLMMMY 	C43H70N8O10S3	954.4377	NA	PeJP	NA	NA
+PJ098560	GSNNDHRR 	C35H58N18O14	954.438	NA	PeJP	NA	NA
+PJ098561	GGGGGSDHRR 	C35H58N18O14	954.4381	NA	PeJP	NA	NA
+PJ098562	GDKMRYW 	C43H62N12O11S	954.4382	NA	PeJP	NA	NA
+PJ098563	CKMMMRR 	C36H70N14O8S4	954.4384	NA	PeJP	NA	NA
+PJ098564	SKYWWW 	C51H58N10O9	954.4388	NA	PeJP	NA	NA
+PJ098565	SPPPWWW 	C51H58N10O9	954.4389	NA	PeJP	NA	NA
+PJ098566	GSSKEERY 	C39H62N12O16	954.4407	NA	PeJP	NA	NA
+PJ098567	SVLLMMMM 	C40H74N8O10S4	954.4411	NA	PeJP	NA	NA
+PJ098568	VQQMMRY 	C40H66N12O11S2	954.4416	NA	PeJP	NA	NA
+PJ098569	SNQQHRW 	C40H58N16O12	954.442	NA	PeJP	NA	NA
+PJ098570	GDEHRRW 	C40H58N16O12	954.4421	NA	PeJP	NA	NA
+PJ098571	AAKMYWW 	C48H62N10O9S	954.4422	NA	PeJP	NA	NA
+PJ098572	SSSSSTLMR 	C36H66N12O16S	954.4441	NA	PeJP	NA	NA
+PJ098573	SDKKEYW 	C44H62N10O14	954.4447	NA	PeJP	NA	NA
+PJ098574	GAAPPLDEW 	C44H62N10O14	954.4448	NA	PeJP	NA	NA
+PJ098575	GTTKMMMR 	C37H70N12O11S3	954.445	NA	PeJP	NA	NA
+PJ098576	SCDRRRY 	C37H62N16O12S	954.4454	NA	PeJP	NA	NA
+PJ098577	GGGGGGGLMHR 	C37H62N16O12S	954.4455	NA	PeJP	NA	NA
+PJ098578	PCKKMYW 	C45H66N10O9S2	954.4456	NA	PeJP	NA	NA
+MJ098559	2,3-Dihydroxy-30-nor-23-oxo-12,20(29)-oleanadien-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H70O20	954.446044	NA	MeJP	NA	NA
+MJ098560	Betavulgaroside II; 28-O-?-D-Glucopyranosyl ester 	C47H70O20	954.446044	NA	MeJP	NA	NA
+MJ098561	Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[2,3-Di-O-acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H70O20	954.446044	NA	MeJP	NA	NA
+PJ098579	AAEHRWW 	C45H58N14O10	954.4461	NA	PeJP	NA	NA
+PJ098580	STTTTKMW 	C41H66N10O14S	954.4481	NA	PeJP	NA	NA
+PJ098581	PVVEYYW 	C49H62N8O12	954.4487	NA	PeJP	NA	NA
+PJ098582	PTLEFYW 	C49H62N8O12	954.4488	NA	PeJP	NA	NA
+PJ098583	TKKMMMW 	C42H70N10O9S3	954.449	NA	PeJP	NA	NA
+PJ098584	GSMRRYW 	C42H62N14O10S	954.4494	NA	PeJP	NA	NA
+PJ098585	GAPTMHRW 	C42H62N14O10S	954.4495	NA	PeJP	NA	NA
+PJ098586	LQHWWW 	C50H58N12O8	954.4501	NA	PeJP	NA	NA
+PJ098587	SSTTTTTKE 	C37H66N10O19	954.4506	NA	PeJP	NA	NA
+PJ098588	STTKKEMM 	C38H70N10O14S2	954.4515	NA	PeJP	NA	NA
+PJ098589	GSSTERRY 	C38H62N14O15	954.4519	NA	PeJP	NA	NA
+PJ098590	GGGGSSSKRY 	C38H62N14O15	954.452	NA	PeJP	NA	NA
+PJ098591	TLLEMYW 	C46H66N8O12S	954.4521	NA	PeJP	NA	NA
+PJ098592	GVKKMMMM 	C39H74N10O9S4	954.4524	NA	PeJP	NA	NA
+PJ098593	AQMMRRY 	C39H66N14O10S2	954.4528	NA	PeJP	NA	NA
+PJ098594	GSPQHHHR 	C39H58N18O11	954.4533	NA	PeJP	NA	NA
+PJ098595	APKMHWW 	C47H62N12O8S	954.4535	NA	PeJP	NA	NA
+PJ098596	STTLLEEY 	C42H66N8O17	954.4546	NA	PeJP	NA	NA
+PJ098597	GVLLEMMY 	C43H70N8O12S2	954.4555	NA	PeJP	NA	NA
+PJ098598	SSKERYW 	C43H62N12O13	954.456	NA	PeJP	NA	NA
+PJ098599	SCCCKKKR 	C36H70N14O10S3	954.4562	NA	PeJP	NA	NA
+PJ098600	NNQMHRR 	C36H62N18O11S	954.4566	NA	PeJP	NA	NA
+PJ098601	GGNQMHRR 	C36H62N18O11S	954.4567	NA	PeJP	NA	NA
+PJ098602	GKMMFRW 	C44H66N12O8S2	954.4568	NA	PeJP	NA	NA
+PJ098603	DHRRWW 	C44H58N16O9	954.4573	NA	PeJP	NA	NA
+PJ098604	TQKEMRY 	C40H66N12O13S	954.4593	NA	PeJP	NA	NA
+PJ098605	GGGGGTKKMY 	C40H66N12O13S	954.4594	NA	PeJP	NA	NA
+PJ098606	ATTKYWW 	C48H62N10O11	954.46	NA	PeJP	NA	NA
+PJ098607	PTCHRRW 	C41H62N16O9S	954.4607	NA	PeJP	NA	NA
+PJ098608	SSTTTTTTR 	C36H66N12O18	954.4618	NA	PeJP	NA	NA
+PJ098609	STTTKMMR 	C37H70N12O13S2	954.4627	NA	PeJP	NA	NA
+PJ098610	TQEEHRR 	C37H62N16O14	954.4632	NA	PeJP	NA	NA
+PJ098611	SLQKMYW 	C45H66N10O11S	954.4633	NA	PeJP	NA	NA
+PJ098612	AKKEMYW 	C45H66N10O11S	954.4634	NA	PeJP	NA	NA
+PJ098613	KKMMMMR 	C38H74N12O8S4	954.4636	NA	PeJP	NA	NA
+PJ098614	PPVFFYW 	C53H62N8O9	954.464	NA	PeJP	NA	NA
+PJ098615	ACMRRRY 	C38H66N16O9S2	954.4641	NA	PeJP	NA	NA
+PJ098616	SSSSPVTKY 	C41H66N10O16	954.4658	NA	PeJP	NA	NA
+PJ098617	GTTKKEEY 	C41H66N10O16	954.4659	NA	PeJP	NA	NA
+PJ098618	LLEMMRY 	C42H70N10O11S2	954.4667	NA	PeJP	NA	NA
+PJ098619	GGGPPPVLMM 	C42H70N10O11S2	954.4668	NA	PeJP	NA	NA
+PJ098620	SSTRRYW 	C42H62N14O12	954.4672	NA	PeJP	NA	NA
+PJ098621	PVLMFYW 	C50H66N8O9S	954.4674	NA	PeJP	NA	NA
+PJ098622	CNNHRRR 	C35H62N20O10S	954.4679	NA	PeJP	NA	NA
+PJ098623	SSSTTTLKM 	C38H70N10O16S	954.4692	NA	PeJP	NA	NA
+PJ098624	GPTLLEYY 	C46H66N8O14	954.4699	NA	PeJP	NA	NA
+PJ098625	SSLKKMMM 	C39H74N10O11S3	954.4701	NA	PeJP	NA	NA
+PJ098626	SDKMRRY 	C39H66N14O12S	954.4706	NA	PeJP	NA	NA
+PJ098627	VLLMMYW 	C47H70N8O9S2	954.4708	NA	PeJP	NA	NA
+PJ098628	PPVDRWW 	C47H62N12O10	954.4712	NA	PeJP	NA	NA
+PJ098629	TTCLLLEY 	C43H70N8O14S	954.4732	NA	PeJP	NA	NA
+PJ098630	SSLLLEMY 	C43H70N8O14S	954.4733	NA	PeJP	NA	NA
+PJ098631	GLLLMMMF 	C44H74N8O9S3	954.4741	NA	PeJP	NA	NA
+PJ098632	SDEHRRR 	C36H62N18O13	954.4744	NA	PeJP	NA	NA
+PJ098633	GGGGGGGGAPRR 	C36H62N18O13	954.4745	NA	PeJP	NA	NA
+PJ098634	ATKMRYW 	C44H66N12O10S	954.4746	NA	PeJP	NA	NA
+PJ098635	APPLWWW 	C52H62N10O8	954.4752	NA	PeJP	NA	NA
+PJ098636	PCMHRRR 	C37H66N18O8S2	954.4753	NA	PeJP	NA	NA
+PJ098637	GTTTKERY 	C40H66N12O15	954.4771	NA	PeJP	NA	NA
+PJ098638	VQKMMRY 	C41H70N12O10S2	954.478	NA	PeJP	NA	NA
+PJ098639	ATEHRRW 	C41H62N16O11	954.4784	NA	PeJP	NA	NA
+PJ098640	GGGGTKHRW 	C41H62N16O11	954.4785	NA	PeJP	NA	NA
+PJ098641	PCKKFFW 	C49H66N10O8S	954.4786	NA	PeJP	NA	NA
+PJ098642	SSSSTCKKK 	C37H70N12O15S	954.4805	NA	PeJP	NA	NA
+PJ098643	TTKKEYW 	C45H66N10O13	954.4811	NA	PeJP	NA	NA
+PJ098644	SCCKKKKM 	C38H74N12O10S3	954.4813	NA	PeJP	NA	NA
+PJ098645	SSMRRRY 	C38H66N16O11S	954.4818	NA	PeJP	NA	NA
+PJ098646	CLKKMFW 	C46H70N10O8S2	954.482	NA	PeJP	NA	NA
+MJ098562	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O19	954.48243	NA	MeJP	NA	NA
+MJ098563	27(13?18)-Abeo-3-hydroxy-14-taraxerene-28,29-dioic acid, 3-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O19	954.48243	NA	MeJP	NA	NA
+MJ098564	3,15,22-Trihydroxy-12-oleanen-28-oic acid, 28?22 Lactone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H74O19	954.48243	NA	MeJP	NA	NA
+MJ098565	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucuronopyranoside], 28-Me ester 	C48H74O19	954.48243	NA	MeJP	NA	NA
+MJ098566	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C48H74O19	954.48243	NA	MeJP	NA	NA
+MJ098567	9(11),12-Oleanadiene-3,21,29-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H74O19	954.48243	NA	MeJP	NA	NA
+MJ098568	Chiisanogenin; [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O19	954.48243	NA	MeJP	NA	NA
+PJ098647	GTLHRWW 	C46H62N14O9	954.4825	NA	PeJP	NA	NA
+PJ098648	KKKEEMY 	C42H70N10O13S	954.4845	NA	PeJP	NA	NA
+PJ098649	PTLLYYW 	C50H66N8O11	954.4851	NA	PeJP	NA	NA
+PJ098650	GPVLEFFF 	C50H66N8O11	954.4852	NA	PeJP	NA	NA
+PJ098651	PTKMHRW 	C43H66N14O9S	954.4858	NA	PeJP	NA	NA
+PJ098652	LKHWWW 	C51H62N12O7	954.4865	NA	PeJP	NA	NA
+PJ098653	TTTTTTTTK 	C38H70N10O18	954.487	NA	PeJP	NA	NA
+PJ098654	SSSSLRRY 	C39H66N14O14	954.4883	NA	PeJP	NA	NA
+PJ098655	GGGGPPTKER 	C39H66N14O14	954.4884	NA	PeJP	NA	NA
+PJ098656	GPVLLMYY 	C47H70N8O11S	954.4885	NA	PeJP	NA	NA
+PJ098657	AKMMRRY 	C40H70N14O9S2	954.4892	NA	PeJP	NA	NA
+PJ098658	GSPKHHHR 	C40H62N18O10	954.4897	NA	PeJP	NA	NA
+PJ098659	ATLLLMMY 	C44H74N8O11S2	954.4919	NA	PeJP	NA	NA
+PJ098660	TTTKRYW 	C44H66N12O12	954.4923	NA	PeJP	NA	NA
+PJ098661	GPPTLERW 	C44H66N12O12	954.4924	NA	PeJP	NA	NA
+PJ098662	NNKMHRR 	C37H66N18O10S	954.493	NA	PeJP	NA	NA
+PJ098663	AEMHRRR 	C37H66N18O10S	954.4931	NA	PeJP	NA	NA
+PJ098664	GPHFRRW 	C45H62N16O8	954.4937	NA	PeJP	NA	NA
+PJ098665	TKKEMRY 	C41H70N12O12S	954.4957	NA	PeJP	NA	NA
+PJ098666	GGGGAAPPLKM 	C41H70N12O12S	954.4958	NA	PeJP	NA	NA
+PJ098667	PPLKEWW 	C49H66N10O10	954.4964	NA	PeJP	NA	NA
+PJ098668	GLMHRRW 	C42H66N16O8S	954.4971	NA	PeJP	NA	NA
+PJ098669	TKEEHRR 	C38H66N16O13	954.4996	NA	PeJP	NA	NA
+PJ098670	SLKKMYW 	C46H70N10O10S	954.4997	NA	PeJP	NA	NA
+PJ098671	SPPPLKMW 	C46H70N10O10S	954.4998	NA	PeJP	NA	NA
+PJ098672	PVLFFFW 	C54H66N8O8	954.5004	NA	PeJP	NA	NA
+PJ098673	VNHHHRR 	C39H62N20O9	954.5009	NA	PeJP	NA	NA
+PJ098674	SSTLKKEY 	C42H70N10O15	954.5022	NA	PeJP	NA	NA
+PJ098675	TTLLLEEH 	C42H70N10O15	954.5023	NA	PeJP	NA	NA
+2632	synthetic fr, of human beta-CN (45-52) ACE inhibitor	QPQPLIYP	954.503	NA	Inhouse_peptide	NA	peptide
+PJ098676	AALKKMMY 	C43H74N10O10S2	954.5031	NA	PeJP	NA	NA
+PJ098677	SLKEHRW 	C43H66N14O11	954.5036	NA	PeJP	NA	NA
+PJ098678	VLLMFFW 	C51H70N8O8S	954.5038	NA	PeJP	NA	NA
+PJ098679	AALLLEYY 	C47H70N8O13	954.5063	NA	PeJP	NA	NA
+PJ098680	TTKMRRY 	C40H70N14O11S	954.507	NA	PeJP	NA	NA
+PJ098681	PPTLRWW 	C48H66N12O9	954.5076	NA	PeJP	NA	NA
+PJ098682	TTTLLLMY 	C44H74N8O13S	954.5096	NA	PeJP	NA	NA
+PJ098683	TTEHRRR 	C37H66N18O12	954.5108	NA	PeJP	NA	NA
+PJ098684	GPPVLMRW 	C45H70N12O9S	954.511	NA	PeJP	NA	NA
+PJ098685	GHHHRRR 	C38H62N22O8	954.5122	NA	PeJP	NA	NA
+PJ098686	SSTTLKRY 	C41H70N12O14	954.5135	NA	PeJP	NA	NA
+PJ098687	VKKMMRY 	C42H74N12O9S2	954.5144	NA	PeJP	NA	NA
+PJ098688	STLHRRW 	C42H66N16O10	954.5148	NA	PeJP	NA	NA
+PJ098689	SPPVLKEW 	C46H70N10O12	954.5175	NA	PeJP	NA	NA
+PJ098690	VKEMHRR 	C39H70N16O10S	954.5182	NA	PeJP	NA	NA
+PJ098691	KFRRYW 	C47H66N14O8	954.5188	NA	PeJP	NA	NA
+MJ098569	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 12-(2-Hydroxy-3-methylbutanoyl), 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-?-D-arabino-hexopyranosyl(1?4)-2,6-dideoxy-3-O-methyl-?-D-ribo-hexopyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098570	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-oleandropyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098571	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-(3,4-Dimethyl-2E-pentenoyl), 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098572	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098573	Jujubogenin; 3-O-[2-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098574	Jujubogenin; 3-O-[3-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098575	Jujubogenin; 3-O-[4-O-Acetyl-?-L-rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside] 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098576	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-6-O-ethyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C49H78O18	954.518815	NA	MeJP	NA	NA
+MJ098577	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C49H78O18	954.518815	NA	MeJP	NA	NA
+PJ098692	PPPFRRW 	C47H66N14O8	954.5189	NA	PeJP	NA	NA
+PJ098693	ATTLKKMY 	C43H74N10O12S	954.5209	NA	PeJP	NA	NA
+PJ098694	VVLLYYW 	C51H70N8O10	954.5215	NA	PeJP	NA	NA
+PJ098695	PPLMRRW 	C44H70N14O8S	954.5222	NA	PeJP	NA	NA
+MJ098578	Cephalostatin 3; 9'-Deoxy, 8'-hydroxy, 9',11'-didehydro, 14'?,15'?-epoxide 	C55H74N2O12	954.524175	NA	MeJP	NA	NA
+PJ098696	GPVLEERR 	C40H70N14O13	954.5247	NA	PeJP	NA	NA
+PJ098697	GGGGGGAAPVKK 	C40H70N14O13	954.5248	NA	PeJP	NA	NA
+PJ098698	GVLLLMFY 	C48H74N8O10S	954.5249	NA	PeJP	NA	NA
+PJ098699	GPQRRRW 	C41H66N18O9	954.5261	NA	PeJP	NA	NA
+PJ098700	PLLLLEEE 	C44H74N8O15	954.5274	NA	PeJP	NA	NA
+PJ098701	AAPLLERW 	C45H70N12O11	954.5287	NA	PeJP	NA	NA
+PJ098702	AAPILERW 	C45H70N12O11	954.5288	NA	PeJP	NA	NA
+PJ098703	SLMHRRR 	C38H70N18O9S	954.5294	NA	PeJP	NA	NA
+PJ098704	GTCKKKKY 	C42H74N12O11S	954.5321	NA	PeJP	NA	NA
+PJ098705	PLLLQWW 	C50H70N10O9	954.5328	NA	PeJP	NA	NA
+PJ098706	ATTTLHRR 	C39H70N16O12	954.5359	NA	PeJP	NA	NA
+PJ098707	PLEERRR 	C39H70N16O12	954.536	NA	PeJP	NA	NA
+PJ098708	APPLLKMW 	C47H74N10O9S	954.5361	NA	PeJP	NA	NA
+PJ098709	PPHHRRR 	C40H66N20O8	954.5373	NA	PeJP	NA	NA
+PJ098710	TTTTLKKY 	C43H74N10O14	954.5386	NA	PeJP	NA	NA
+PJ098711	GGPLLLKEE 	C43H74N10O14	954.5387	NA	PeJP	NA	NA
+PJ098712	VVLLLMMH 	C44H78N10O9S2	954.5395	NA	PeJP	NA	NA
+PJ098713	PVLERRW 	C44H70N14O10	954.54	NA	PeJP	NA	NA
+MJ098579	Nostopeptin A 	C48H74N8O12	954.542619	NA	MeJP	NA	NA
+PJ098714	GTLLLLYY 	C48H74N8O12	954.5427	NA	PeJP	NA	NA
+PJ098715	SPPVLMRR 	C41H74N14O10S	954.5434	NA	PeJP	NA	NA
+PJ098716	PVVLRWW 	C49H70N12O8	954.544	NA	PeJP	NA	NA
+PJ098717	PNKERRR 	C38H70N18O11	954.5472	NA	PeJP	NA	NA
+PJ098718	LLKKMHW 	C46H74N12O8S	954.5474	NA	PeJP	NA	NA
+PJ098719	SSSKKKKY 	C42H74N12O13	954.5499	NA	PeJP	NA	NA
+PJ098720	PVNKRRW 	C43H70N16O9	954.5512	NA	PeJP	NA	NA
+PJ098721	GPLLLKEW 	C47H74N10O11	954.5539	NA	PeJP	NA	NA
+PJ098722	APPCKKRR 	C40H74N16O9S	954.5546	NA	PeJP	NA	NA
+MJ098580	Cycloart-24-ene-3,22,26-triol, 3-O-[6-Deoxy-?-D-glucopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?6)-?-D-4-acetylglucopyranoside] 	C50H82O17	954.555201	NA	MeJP	NA	NA
+PJ098723	PPLLKKEM 	C44H78N10O11S	954.5573	NA	PeJP	NA	NA
+PJ098724	GVLLLFFF 	C52H74N8O9	954.5579	NA	PeJP	NA	NA
+PJ098725	SPQRRRR 	C37H70N20O10	954.5584	NA	PeJP	NA	NA
+PJ098726	APTLLERR 	C41H74N14O12	954.5611	NA	PeJP	NA	NA
+PJ098727	LKKHHHR 	C42H70N18O8	954.5624	NA	PeJP	NA	NA
+PJ098728	GPKRRRW 	C42H70N18O8	954.5625	NA	PeJP	NA	NA
+PJ098729	GPTLLLRW 	C46H74N12O10	954.5651	NA	PeJP	NA	NA
+PJ098730	CKKKHRR 	C39H74N18O8S	954.5658	NA	PeJP	NA	NA
+MJ098581	Foromacidin A; 3,4''-Dipropanoyl 	C49H82N2O16	954.566434	NA	MeJP	NA	NA
+MJ098582	Foromacidin A; 4''-(2-Methylpropanoyl), 3-Ac 	C49H82N2O16	954.566434	NA	MeJP	NA	NA
+MJ098583	Foromacidin A; 4''-Butanoyl, 3-Ac 	C49H82N2O16	954.566434	NA	MeJP	NA	NA
+MJ098584	Methylenedidemnin A 	C50H78N6O12	954.567771	NA	MeJP	NA	NA
+PJ098731	PPTLLKMR 	C43H78N12O10S	954.5685	NA	PeJP	NA	NA
+PJ098732	PLLLKWW 	C51H74N10O8	954.5692	NA	PeJP	NA	NA
+PJ098733	AAPKKERR 	C40H74N16O11	954.5723	NA	PeJP	NA	NA
+PJ098734	GPVDKKRR 	C40H74N16O11	954.5724	NA	PeJP	NA	NA
+PJ098735	PVLLKKEE 	C44H78N10O13	954.575	NA	PeJP	NA	NA
+PJ098736	PLQKKRW 	C45H74N14O9	954.5764	NA	PeJP	NA	NA
+PJ098737	GPLLLMRR 	C42H78N14O9S	954.5797	NA	PeJP	NA	NA
+PJ098738	PDKKRRR 	C39H74N18O10	954.5836	NA	PeJP	NA	NA
+PJ098739	VLLLNQQK 	C43H78N12O12	954.5862	NA	PeJP	NA	NA
+PJ098740	SPLLLKER 	C43H78N12O12	954.5863	NA	PeJP	NA	NA
+PJ098741	VLKHFRR 	C44H74N16O8	954.5876	NA	PeJP	NA	NA
+PJ098742	SPVLLLKW 	C48H78N10O10	954.5903	NA	PeJP	NA	NA
+PJ098743	KKKKMHR 	C41H78N16O8S	954.591	NA	PeJP	NA	NA
+PJ098744	PLLLLQKM 	C45H82N10O10S	954.5937	NA	PeJP	NA	NA
+PJ098745	SPKRRRR 	C38H74N20O9	954.5948	NA	PeJP	NA	NA
+PJ098746	GVLLLERR 	C42H78N14O11	954.5975	NA	PeJP	NA	NA
+PJ098747	LLLLLLEE 	C46H82N8O13	954.6002	NA	PeJP	NA	NA
+PJ098748	AALLLLRW 	C47H78N12O9	954.6015	NA	PeJP	NA	NA
+PJ098749	PVVLLKMR 	C44H82N12O9S	954.6049	NA	PeJP	NA	NA
+PJ098750	GVRRRRR 	C37H74N22O8	954.6061	NA	PeJP	NA	NA
+PJ098751	LLLERRR 	C41H78N16O10	954.6087	NA	PeJP	NA	NA
+PJ098752	VLLLLQKE 	C45H82N10O12	954.6114	NA	PeJP	NA	NA
+PJ098753	PLKKKRW 	C46H78N14O8	954.6127	NA	PeJP	NA	NA
+PJ098754	VLLLRRW 	C46H78N14O8	954.6128	NA	PeJP	NA	NA
+PJ098755	RRRRRR 	C36H74N24O7	954.6173	NA	PeJP	NA	NA
+PJ098756	VLQKRRR 	C40H78N18O9	954.62	NA	PeJP	NA	NA
+PJ098757	VVVLLKER 	C44H82N12O11	954.6226	NA	PeJP	NA	NA
+PJ098758	ALLLLKER 	C44H82N12O11	954.6227	NA	PeJP	NA	NA
+PJ098759	GLLLLLKW 	C49H82N10O9	954.6267	NA	PeJP	NA	NA
+PJ098760	PLLLLKKM 	C46H86N10O9S	954.63	NA	PeJP	NA	NA
+PJ098761	ALKRRRR 	C39H78N20O8	954.6312	NA	PeJP	NA	NA
+PJ098762	ATLLLLRR 	C43H82N14O10	954.6339	NA	PeJP	NA	NA
+PJ098763	AALLKKRR 	C42H82N16O9	954.6451	NA	PeJP	NA	NA
+PJ098764	VLLLLKKE 	C46H86N10O11	954.6478	NA	PeJP	NA	NA
+PJ098765	VLKKRRR 	C41H82N18O8	954.6564	NA	PeJP	NA	NA
+PJ098766	SLLLLLKR 	C45H86N12O10	954.659	NA	PeJP	NA	NA
+PJ098767	GLLLKKKR 	C44H86N14O9	954.6703	NA	PeJP	NA	NA
+MJ098585	Zeaxanthin; 3-O-[13-Methyltetradecanoyl-(?6)-?-D-glucopyranoside] 	C61H94O8	954.694869	NA	MeJP	NA	NA
+C15957	Thermozeaxanthin-15	C61H94O8	954.6949	NA	KEGG	NA	NA
+PJ098768	VVLLKKKK 	C46H90N12O9	954.6954	NA	PeJP	NA	NA
+HMDB10525	TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	C63H102O6	954.767639	NA	HMDB2010	NA	NA
+HMDB10542	TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C63H102O6	954.767639	NA	HMDB2010	NA	NA
+3187	cystatin S (94-109)	KKQLCSFEIYEVPWED	954.9645	MH2+	Inhouse_peptide	NA	peptide
+PJ098769	SCCCCCCCE 	C29H49N9O13S7	955.1495	NA	PeJP	NA	NA
+HMDB12223	E-Phenylitaconyl-CoA	C32H44N7O19P3S	955.162537	NA	HMDB2010	NA	NA
+MetaCyc04342	E-phenylitaconyl-CoA [E-phenylitaconyl-CoA;E-benzylidene-succinyl-CoA;]	C32H44N7O19P3S1	955.162552	NA	metacyc	NA	NA
+C09818	E-Phenylitaconyl-CoA	C32H44N7O19P3S	955.1626	NA	KEGG	NA	NA
+C17740	p-Coumaroyl-diketide-CoA	C32H44N7O19P3S	955.1626	NA	KEGG	NA	NA
+PJ098770	GCCCCCCMM 	C30H53N9O10S8	955.1682	NA	PeJP	NA	NA
+PJ098771	GCCCCCCDF 	C33H49N9O12S6	955.1825	NA	PeJP	NA	NA
+PJ098772	STCCCCCCM 	C30H53N9O12S7	955.1859	NA	PeJP	NA	NA
+PJ098773	GSCCCCCDY 	C33H49N9O14S5	955.2003	NA	PeJP	NA	NA
+PJ098774	CCCCCQMY 	C34H53N9O11S6	955.2189	NA	PeJP	NA	NA
+PJ098775	GCCCCCNNH 	C31H49N13O12S5	955.2228	NA	PeJP	NA	NA
+PJ098776	GSCCCCDEH 	C32H49N11O15S4	955.2293	NA	PeJP	NA	NA
+PJ098777	CCCCCCRY 	C33H53N11O10S6	955.2302	NA	PeJP	NA	NA
+PJ098778	GSCDDDDDD 	C32H45N9O23S	955.235	NA	PeJP	NA	NA
+PJ098779	GPCCCDDDE 	C33H49N9O18S3	955.2358	NA	PeJP	NA	NA
+PJ098780	GSSCCCCMY 	C34H53N9O13S5	955.2367	NA	PeJP	NA	NA
+PJ098781	SCCCCDHW 	C36H49N11O12S4	955.2445	NA	PeJP	NA	NA
+PJ098782	SSSCCCDDH 	C32H49N11O17S3	955.247	NA	PeJP	NA	NA
+PJ098783	CCCNDMMH 	C33H53N11O12S5	955.2479	NA	PeJP	NA	NA
+PJ098784	PCCCDDDW 	C37H49N9O15S3	955.2511	NA	PeJP	NA	NA
+PJ098785	CCCCCQFF 	C38H53N9O10S5	955.2519	NA	PeJP	NA	NA
+PJ098786	CNDDDDEM 	C33H49N9O20S2	955.2536	NA	PeJP	NA	NA
+PJ098787	SSSTCCCCY 	C34H53N9O15S4	955.2544	NA	PeJP	NA	NA
+PJ098788	CCCCCKMY 	C35H57N9O10S6	955.2553	NA	PeJP	NA	NA
+PJ098789	GCCCNNNND 	C31H49N13O16S3	955.2583	NA	PeJP	NA	NA
+PJ098790	CCCCCEHR 	C32H53N13O11S5	955.2592	NA	PeJP	NA	NA
+PJ098791	CCCNDDHF 	C36H49N11O14S3	955.2623	NA	PeJP	NA	NA
+PJ098792	ACCCCMHW 	C37H53N11O9S5	955.2632	NA	PeJP	NA	NA
+PJ098793	CCDDDDDR 	C32H49N11O19S2	955.2648	NA	PeJP	NA	NA
+PJ098794	GSSCCCEMH 	C33H53N11O14S4	955.2657	NA	PeJP	NA	NA
+PJ098795	CCCCNHHH 	C34H49N15O10S4	955.267	NA	PeJP	NA	NA
+PJ098796	GCDDDDMW 	C37H49N9O17S2	955.2688	NA	PeJP	NA	NA
+PJ098797	GCCCNMYY 	C38H53N9O12S4	955.2697	NA	PeJP	NA	NA
+PJ098798	GSSDDDDDM 	C33H49N9O22S	955.2713	NA	PeJP	NA	NA
+PJ098799	GSPCCDDEM 	C34H53N9O17S3	955.2722	NA	PeJP	NA	NA
+PJ098800	GPPCCCDMM 	C35H57N9O12S5	955.2731	NA	PeJP	NA	NA
+PJ098801	SCCNNDDW 	C36H49N11O16S2	955.2801	NA	PeJP	NA	NA
+PJ098802	SSCCCMHW 	C37H53N11O11S4	955.2809	NA	PeJP	NA	NA
+PJ098803	SSSCNNDDD 	C32H49N11O21S	955.2825	NA	PeJP	NA	NA
+PJ098804	GGSSSCNDDD 	C32H49N11O21S	955.2826	NA	PeJP	NA	NA
+PJ098805	SSSSCCDMH 	C33H53N11O16S3	955.2834	NA	PeJP	NA	NA
+PJ098806	GGGGGGCDDMM 	C33H53N11O16S3	955.2835	NA	PeJP	NA	NA
+PJ098807	CCDDEWW 	C41H49N9O14S2	955.2841	NA	PeJP	NA	NA
+PJ098808	SCCNMMMH 	C34H57N11O11S5	955.2843	NA	PeJP	NA	NA
+PJ098809	SSCDDDEW 	C37H49N9O19S	955.2866	NA	PeJP	NA	NA
+PJ098810	SSCCCQYY 	C38H53N9O14S3	955.2874	NA	PeJP	NA	NA
+PJ098811	SPCCDDMW 	C38H53N9O14S3	955.2875	NA	PeJP	NA	NA
+PJ098812	CCCCCKFF 	C39H57N9O9S5	955.2883	NA	PeJP	NA	NA
+PJ098813	SSSSDDDDE 	C33H49N9O24	955.2891	NA	PeJP	NA	NA
+PJ098814	SSSPCCDEE 	C34H53N9O19S2	955.2899	NA	PeJP	NA	NA
+PJ098815	SNDDDEMM 	C34H53N9O19S2	955.29	NA	PeJP	NA	NA
+PJ098816	CDDDYYY 	C42H49N7O17S	955.2906	NA	PeJP	NA	NA
+PJ098817	PCNDDMMM 	C35H57N9O14S4	955.2908	NA	PeJP	NA	NA
+PJ098818	GPPCCCCHH 	C36H53N13O10S4	955.2922	NA	PeJP	NA	NA
+PJ098819	CCCNNDER 	C32H53N13O15S3	955.2947	NA	PeJP	NA	NA
+PJ098820	CDMMMYY 	C40H57N7O12S4	955.2948	NA	PeJP	NA	NA
+PJ098821	TCCCCMHR 	C33H57N13O10S5	955.2955	NA	PeJP	NA	NA
+PJ098822	CNNNDDDF 	C36H49N11O18S	955.2978	NA	PeJP	NA	NA
+PJ098823	GCCNNEMW 	C37H53N11O13S3	955.2987	NA	PeJP	NA	NA
+PJ098824	SCDDDDMR 	C33H53N11O18S2	955.3012	NA	PeJP	NA	NA
+PJ098825	GSSTCCMMH 	C34H57N11O13S4	955.302	NA	PeJP	NA	NA
+PJ098826	PCCCDEMR 	C34H57N11O13S4	955.3021	NA	PeJP	NA	NA
+PJ098827	CCNNNDHH 	C34H49N15O14S2	955.3025	NA	PeJP	NA	NA
+PJ098828	GCCCNFFY 	C42H53N9O11S3	955.3027	NA	PeJP	NA	NA
+PJ098829	GNDDDEEY 	C37H49N9O21	955.3043	NA	PeJP	NA	NA
+PJ098830	GGGDDDEEY 	C37H49N9O21	955.3044	NA	PeJP	NA	NA
+PJ098831	GSDDDMMW 	C38H53N9O16S2	955.3052	NA	PeJP	NA	NA
+PJ098832	GPCCEMMW 	C39H57N9O11S4	955.3061	NA	PeJP	NA	NA
+PJ098833	GSSSDDEEM 	C34H53N9O21S	955.3077	NA	PeJP	NA	NA
+PJ098834	GNDEEMMM 	C35H57N9O16S3	955.3086	NA	PeJP	NA	NA
+PJ098835	SCNDDEHH 	C35H49N13O17S	955.309	NA	PeJP	NA	NA
+PJ098836	GGSCDDEHH 	C35H49N13O17S	955.3091	NA	PeJP	NA	NA
+PJ098837	CDDMFYY 	C43H53N7O14S2	955.3092	NA	PeJP	NA	NA
+PJ098838	GSPPCCMMM 	C36H61N9O11S5	955.3094	NA	PeJP	NA	NA
+PJ098839	APPTCCCMM 	C36H61N9O11S5	955.3095	NA	PeJP	NA	NA
+PJ098840	GCCCNDRW 	C36H53N13O12S3	955.3099	NA	PeJP	NA	NA
+PJ098841	GSSCCNDDR 	C32H53N13O17S2	955.3124	NA	PeJP	NA	NA
+PJ098842	GSPCCCCQR 	C33H57N13O12S4	955.3133	NA	PeJP	NA	NA
+PJ098843	CMMMMFY 	C41H61N7O9S5	955.3135	NA	PeJP	NA	NA
+PJ098844	CCNNMWW 	C41H53N11O10S3	955.3139	NA	PeJP	NA	NA
+PJ098845	SNNNDDDY 	C36H49N11O20	955.3156	NA	PeJP	NA	NA
+PJ098846	SSCNNDMW 	C37H53N11O15S2	955.3164	NA	PeJP	NA	NA
+PJ098847	GGGGSSCDMW 	C37H53N11O15S2	955.3165	NA	PeJP	NA	NA
+PJ098848	PCCCCNKW 	C38H57N11O10S4	955.3173	NA	PeJP	NA	NA
+PJ098849	SSSSNNDDM 	C33H53N11O20S	955.3189	NA	PeJP	NA	NA
+PJ098850	GGGGSSSSDDM 	C33H53N11O20S	955.319	NA	PeJP	NA	NA
+PJ098851	NDDDEYW 	C41H49N9O18	955.3196	NA	PeJP	NA	NA
+PJ098852	GCDDEMMR 	C34H57N11O15S3	955.3198	NA	PeJP	NA	NA
+PJ098853	CCNQYYY 	C42H53N9O13S2	955.3204	NA	PeJP	NA	NA
+PJ098854	SCDEMWW 	C42H53N9O13S2	955.3205	NA	PeJP	NA	NA
+PJ098855	TCCCKMMH 	C35H61N11O10S5	955.3207	NA	PeJP	NA	NA
+PJ098856	PCCMMWW 	C43H57N9O8S4	955.3213	NA	PeJP	NA	NA
+PJ098857	SSSDDEMW 	C38H53N9O18S	955.323	NA	PeJP	NA	NA
+PJ098858	NDEMMMW 	C39H57N9O13S3	955.3238	NA	PeJP	NA	NA
+PJ098859	GSCDDHHW 	C39H49N13O14S	955.3243	NA	PeJP	NA	NA
+PJ098860	APCCCHHW 	C40H53N13O9S3	955.3252	NA	PeJP	NA	NA
+PJ098861	SSSSSDEEE 	C34H53N9O23	955.3255	NA	PeJP	NA	NA
+PJ098862	SSNEEEMM 	C35H57N9O18S2	955.3263	NA	PeJP	NA	NA
+PJ098863	GSSSDDDHH 	C35H49N13O19	955.3268	NA	PeJP	NA	NA
+PJ098864	SDDMYYY 	C43H53N7O16S	955.327	NA	PeJP	NA	NA
+PJ098865	SPNDMMMM 	C36H61N9O13S4	955.3272	NA	PeJP	NA	NA
+PJ098866	CCNNNNQF 	C36H53N13O14S2	955.3277	NA	PeJP	NA	NA
+PJ098867	CDMMFFY 	C44H57N7O11S3	955.3278	NA	PeJP	NA	NA
+PJ098868	GCCCMHFR 	C37H57N13O9S4	955.3286	NA	PeJP	NA	NA
+PJ098869	EEEEEEY 	C39H53N7O21	955.3295	NA	PeJP	NA	NA
+PJ098870	GSSSSSCNNN 	C32H53N13O19S	955.3302	NA	PeJP	NA	NA
+PJ098871	GPDDDDHW 	C40H49N11O17	955.3308	NA	PeJP	NA	NA
+PJ098872	SCCNNEMR 	C33H57N13O14S3	955.331	NA	PeJP	NA	NA
+PJ098873	GGGGSCCEMR 	C33H57N13O14S3	955.3311	NA	PeJP	NA	NA
+PJ098874	SMMMMYY 	C41H61N7O11S4	955.3312	NA	PeJP	NA	NA
+PJ098875	GSSCCQWW 	C41H53N11O12S2	955.3317	NA	PeJP	NA	NA
+PJ098876	GSSSSCNEW 	C37H53N11O17S	955.3342	NA	PeJP	NA	NA
+PJ098877	GDDDYWW 	C45H49N9O15	955.3349	NA	PeJP	NA	NA
+PJ098878	CDDMMRW 	C38H57N11O12S3	955.3351	NA	PeJP	NA	NA
+PJ098879	PCCDFWW 	C46H53N9O10S2	955.3357	NA	PeJP	NA	NA
+PJ098880	GSSSSSSNDE 	C33H53N11O22	955.3367	NA	PeJP	NA	NA
+PJ098881	SSDDDMMR 	C34H57N11O17S2	955.3376	NA	PeJP	NA	NA
+PJ098882	NNNNNDDH 	C34H49N15O18	955.338	NA	PeJP	NA	NA
+PJ098883	GGGGNNNDDH 	C34H49N15O18	955.3381	NA	PeJP	NA	NA
+PJ098884	GSPCDEYW 	C42H53N9O15S	955.3382	NA	PeJP	NA	NA
+PJ098885	SPCCEMMR 	C35H61N11O12S4	955.3384	NA	PeJP	NA	NA
+PJ098886	GGGGGQMMMM 	C35H61N11O12S4	955.3385	NA	PeJP	NA	NA
+PJ098887	GCCDEHHR 	C35H53N15O13S2	955.3389	NA	PeJP	NA	NA
+PJ098888	GDMMMWW 	C43H57N9O10S3	955.3391	NA	PeJP	NA	NA
+PJ098889	GSNEEEEY 	C38H53N9O20	955.3407	NA	PeJP	NA	NA
+PJ098890	GSSEEMMW 	C39H57N9O15S2	955.3416	NA	PeJP	NA	NA
+PJ098891	GNDDDHHF 	C39H49N13O16	955.3421	NA	PeJP	NA	NA
+PJ098892	CDDFFFY 	C47H53N7O13S	955.3422	NA	PeJP	NA	NA
+PJ098893	SCCCNDRR 	C32H57N15O13S3	955.3423	NA	PeJP	NA	NA
+PJ098894	GPTCMMMW 	C40H61N9O10S4	955.3425	NA	PeJP	NA	NA
+PJ098895	CNEMHHW 	C40H53N13O11S2	955.3429	NA	PeJP	NA	NA
+PJ098896	GSSSTEEEM 	C35H57N9O20S	955.3441	NA	PeJP	NA	NA
+PJ098897	GTQEEMMM 	C36H61N9O15S3	955.345	NA	PeJP	NA	NA
+PJ098898	GCNNDDRY 	C36H53N13O16S	955.3454	NA	PeJP	NA	NA
+PJ098899	GGGGGCDDRY 	C36H53N13O16S	955.3455	NA	PeJP	NA	NA
+PJ098900	GEMMYYY 	C44H57N7O13S2	955.3456	NA	PeJP	NA	NA
+PJ098901	GPQMMMMM 	C37H65N9O10S5	955.3458	NA	PeJP	NA	NA
+PJ098902	GSCCNMRW 	C37H57N13O11S3	955.3463	NA	PeJP	NA	NA
+PJ098903	CMMMFFF 	C45H61N7O8S4	955.3465	NA	PeJP	NA	NA
+PJ098904	GCNDHHHH 	C37H49N17O12S	955.3468	NA	PeJP	NA	NA
+PJ098905	CCHHFFY 	C45H53N11O9S2	955.3469	NA	PeJP	NA	NA
+PJ098906	CCNHFFW 	C45H53N11O9S2	955.347	NA	PeJP	NA	NA
+PJ098907	GSSSCNDMR 	C33H57N13O16S2	955.3488	NA	PeJP	NA	NA
+PJ098908	SSSSCNWW 	C41H53N11O14S	955.3494	NA	PeJP	NA	NA
+PJ098909	GGSSSSCWW 	C41H53N11O14S	955.3495	NA	PeJP	NA	NA
+PJ098910	GCNNMMMR 	C34H61N13O11S4	955.3497	NA	PeJP	NA	NA
+PJ098911	CCCQKWW 	C42H57N11O9S3	955.3503	NA	PeJP	NA	NA
+PJ098912	SSSSSSNDW 	C37H53N11O19	955.3519	NA	PeJP	NA	NA
+PJ098913	GGSSSSSSDW 	C37H53N11O19	955.352	NA	PeJP	NA	NA
+PJ098914	SSSNNMMW 	C38H57N11O14S2	955.3528	NA	PeJP	NA	NA
+PJ098915	GGGGGGGEMMF 	C38H57N11O14S2	955.3529	NA	PeJP	NA	NA
+PJ098916	SPCDYWW 	C46H53N9O12S	955.3535	NA	PeJP	NA	NA
+PJ098917	PPCCCMFR 	C39H61N11O9S4	955.3537	NA	PeJP	NA	NA
+PJ098918	CCDHHRW 	C39H53N15O10S2	955.3542	NA	PeJP	NA	NA
+PJ098919	SSSSSNQEM 	C34H57N11O19S	955.3553	NA	PeJP	NA	NA
+PJ098920	SNEEEYW 	C42H53N9O17	955.356	NA	PeJP	NA	NA
+PJ098921	GSDEMMMR 	C35H61N11O14S3	955.3562	NA	PeJP	NA	NA
+PJ098922	SSCDDHHR 	C35H53N15O15S	955.3567	NA	PeJP	NA	NA
+PJ098923	SSEMMWW 	C43H57N9O12S2	955.3568	NA	PeJP	NA	NA
+PJ098924	GGPDMMYW 	C43H57N9O12S2	955.3569	NA	PeJP	NA	NA
+PJ098925	GPCMMMMR 	C36H65N11O9S5	955.3571	NA	PeJP	NA	NA
+PJ098926	PTCCCHHR 	C36H57N15O10S3	955.3575	NA	PeJP	NA	NA
+PJ098927	GCMHHWW 	C44H53N13O8S2	955.3582	NA	PeJP	NA	NA
+PJ098928	SSSTEEMW 	C39H57N9O17S	955.3593	NA	PeJP	NA	NA
+PJ098929	GAQEEEMY 	C39H57N9O17S	955.3594	NA	PeJP	NA	NA
+PJ098930	GDEFYYY 	C47H53N7O15	955.36	NA	PeJP	NA	NA
+PJ098931	TQEMMMW 	C40H61N9O12S3	955.3602	NA	PeJP	NA	NA
+PJ098932	GSSDMHHW 	C40H53N13O13S	955.3607	NA	PeJP	NA	NA
+PJ098933	MMYYYW 	C48H57N7O10S2	955.3609	NA	PeJP	NA	NA
+PJ098934	SSSSTTEEE 	C35H57N9O22	955.3618	NA	PeJP	NA	NA
+PJ098935	SSDKEEMM 	C36H61N9O17S2	955.3627	NA	PeJP	NA	NA
+PJ098936	GSSSNNNNY 	C36H53N13O18	955.3632	NA	PeJP	NA	NA
+PJ098937	STEMYYY 	C44H57N7O15S	955.3634	NA	PeJP	NA	NA
+PJ098938	GVQEMMMM 	C37H65N9O12S4	955.3636	NA	PeJP	NA	NA
+PJ098939	SSSCCQRW 	C37H57N13O13S2	955.364	NA	PeJP	NA	NA
+PJ098940	GGSSTCCRW 	C37H57N13O13S2	955.3641	NA	PeJP	NA	NA
+PJ098941	AMMMFYY 	C45H61N7O10S3	955.3642	NA	PeJP	NA	NA
+PJ098942	GCNQYWW 	C45H53N11O11S	955.3647	NA	PeJP	NA	NA
+PJ098943	SSSSSCNER 	C33H57N13O18S	955.3665	NA	PeJP	NA	NA
+PJ098944	GGSSSSSCER 	C33H57N13O18S	955.3666	NA	PeJP	NA	NA
+PJ098945	SDDDRYW 	C41H53N11O16	955.3672	NA	PeJP	NA	NA
+PJ098946	SSCNQMMR 	C34H61N13O13S3	955.3674	NA	PeJP	NA	NA
+PJ098947	GGGGGSCCCKK 	C34H61N13O13S3	955.3675	NA	PeJP	NA	NA
+PJ098948	GSSCCKWW 	C42H57N11O11S2	955.3681	NA	PeJP	NA	NA
+PJ098949	CEFWWW 	C50H53N9O9S	955.3687	NA	PeJP	NA	NA
+PJ098950	GSSSSSQMW 	C38H57N11O16S	955.3706	NA	PeJP	NA	NA
+PJ098951	GSEEYWW 	C46H53N9O14	955.3712	NA	PeJP	NA	NA
+PJ098952	SDMMMRW 	C39H61N11O11S3	955.3714	NA	PeJP	NA	NA
+PJ098953	GSCNKMMW 	C39H61N11O11S3	955.3715	NA	PeJP	NA	NA
+PJ098954	GCNNQHHF 	C39H53N15O12S	955.3719	NA	PeJP	NA	NA
+PJ098955	GGGGGGACHHF 	C39H53N15O12S	955.372	NA	PeJP	NA	NA
+PJ098956	APCMYWW 	C47H57N9O9S2	955.3721	NA	PeJP	NA	NA
+PJ098957	GCCCCRRR 	C32H61N17O9S4	955.3722	NA	PeJP	NA	NA
+PJ098958	GSSSSSSTQE 	C34H57N11O21	955.3731	NA	PeJP	NA	NA
+PJ098959	GSSSTQQMM 	C35H61N11O16S2	955.3739	NA	PeJP	NA	NA
+PJ098960	SSSEEMMR 	C35H61N11O16S2	955.374	NA	PeJP	NA	NA
+PJ098961	GNNDDEHR 	C35H53N15O17	955.3744	NA	PeJP	NA	NA
+PJ098962	GGGGGDDEHR 	C35H53N15O17	955.3745	NA	PeJP	NA	NA
+PJ098963	AQEEMYW 	C43H57N9O14S	955.3746	NA	PeJP	NA	NA
+PJ098964	QEMMMMR 	C36H65N11O11S4	955.3748	NA	PeJP	NA	NA
+PJ098965	DFYYYW 	C51H53N7O12	955.3752	NA	PeJP	NA	NA
+PJ098966	GSCEMHHR 	C36H57N15O12S2	955.3753	NA	PeJP	NA	NA
+PJ098967	ATMMMWW 	C44H61N9O9S3	955.3755	NA	PeJP	NA	NA
+PJ098968	STCHHWW 	C44H53N13O10S	955.3759	NA	PeJP	NA	NA
+PJ098969	GGPCNHWW 	C44H53N13O10S	955.376	NA	PeJP	NA	NA
+PJ098970	GSDKEEEY 	C39H57N9O19	955.3771	NA	PeJP	NA	NA
+PJ098971	GTTTEMMW 	C40H61N9O14S2	955.378	NA	PeJP	NA	NA
+PJ098972	SSSSEHHW 	C40H53N13O15	955.3784	NA	PeJP	NA	NA
+PJ098973	GGNQEEHW 	C40H53N13O15	955.3785	NA	PeJP	NA	NA
+PJ098974	GPMYYYY 	C48H57N7O12S	955.3786	NA	PeJP	NA	NA
+PJ098975	SSCCNMRR 	C33H61N15O12S3	955.3787	NA	PeJP	NA	NA
+PJ098976	VQMMMMW 	C41H65N9O9S4	955.3788	NA	PeJP	NA	NA
+PJ098977	GGLMMMMW 	C41H65N9O9S4	955.3789	NA	PeJP	NA	NA
+PJ098978	CCNQFRW 	C41H57N13O10S2	955.3793	NA	PeJP	NA	NA
+PJ098979	SSSSSLEEM 	C36H61N9O19S	955.3805	NA	PeJP	NA	NA
+PJ098980	ASKEEMMM 	C37H65N9O14S3	955.3813	NA	PeJP	NA	NA
+PJ098981	GTKEEMMM 	C37H65N9O14S3	955.3814	NA	PeJP	NA	NA
+PJ098982	GSSSSSCRW 	C37H57N13O15S	955.3818	NA	PeJP	NA	NA
+PJ098983	GGGGGGGGSPPPC 	C37H57N13O15S	955.3819	NA	PeJP	NA	NA
+PJ098984	SVMMYYY 	C45H61N7O12S2	955.382	NA	PeJP	NA	NA
+PJ098985	GPKMMMMM 	C38H69N9O9S5	955.3822	NA	PeJP	NA	NA
+PJ098986	SSNNYWW 	C45H53N11O13	955.3825	NA	PeJP	NA	NA
+PJ098987	GTCCCKRW 	C38H61N13O10S3	955.3827	NA	PeJP	NA	NA
+PJ098988	GSNMHHHH 	C38H53N17O11S	955.3832	NA	PeJP	NA	NA
+PJ098989	PPCMHWW 	C46H57N11O8S2	955.3833	NA	PeJP	NA	NA
+PJ098990	GSSSSSSSDR 	C33H57N13O20	955.3843	NA	PeJP	NA	NA
+PJ098991	GSSSSNMMR 	C34H61N13O15S2	955.3852	NA	PeJP	NA	NA
+PJ098992	GDEMRYW 	C42H57N11O13S	955.3858	NA	PeJP	NA	NA
+PJ098993	GGGGGATMYW 	C42H57N11O13S	955.3859	NA	PeJP	NA	NA
+PJ098994	CEMMMRR 	C35H65N13O10S4	955.3861	NA	PeJP	NA	NA
+PJ098995	SEYWWW 	C50H53N9O11	955.3865	NA	PeJP	NA	NA
+PJ098996	CCCKKWW 	C43H61N11O8S3	955.3867	NA	PeJP	NA	NA
+PJ098997	SSSSSSTQW 	C38H57N11O18	955.3883	NA	PeJP	NA	NA
+PJ098998	GGGGSSDKEY 	C38H57N11O18	955.3884	NA	PeJP	NA	NA
+PJ098999	SSSCQKMW 	C39H61N11O13S2	955.3892	NA	PeJP	NA	NA
+PJ099000	NNDDHRW 	C39H53N15O14	955.3897	NA	PeJP	NA	NA
+PJ099001	AAEMYWW 	C47H57N9O11S	955.3899	NA	PeJP	NA	NA
+PJ099002	AMMMMRW 	C40H65N11O8S4	955.3901	NA	PeJP	NA	NA
+PJ099003	SCMHHRW 	C40H57N15O9S2	955.3905	NA	PeJP	NA	NA
+PJ099004	GPCCHHFR 	C40H57N15O9S2	955.3906	NA	PeJP	NA	NA
+PJ099005	DHHHHHH 	C40H49N19O10	955.391	NA	PeJP	NA	NA
+PJ099006	SSSSSNKEM 	C35H61N11O18S	955.3917	NA	PeJP	NA	NA
+PJ099007	SDKEEYW 	C43H57N9O16	955.3924	NA	PeJP	NA	NA
+PJ099008	GTTEMMMR 	C36H65N11O13S3	955.3926	NA	PeJP	NA	NA
+PJ099009	SSTCEHHR 	C36H57N15O14S	955.393	NA	PeJP	NA	NA
+PJ099010	SSSDMHHR 	C36H57N15O14S	955.3931	NA	PeJP	NA	NA
+PJ099011	TTTMMWW 	C44H61N9O11S2	955.3932	NA	PeJP	NA	NA
+PJ099012	GNQEHWW 	C44H53N13O12	955.3937	NA	PeJP	NA	NA
+PJ099013	MFFYYW 	C52H57N7O9S	955.3939	NA	PeJP	NA	NA
+PJ099014	STTTTEMW 	C40H61N9O16S	955.3957	NA	PeJP	NA	NA
+PJ099015	GAPPPEEEM 	C40H61N9O16S	955.3958	NA	PeJP	NA	NA
+PJ099016	GVEYYYY 	C48H57N7O14	955.3964	NA	PeJP	NA	NA
+PJ099017	TKEMMMW 	C41H65N9O11S3	955.3966	NA	PeJP	NA	NA
+PJ099018	SCNQRYW 	C41H57N13O12S	955.3971	NA	PeJP	NA	NA
+PJ099019	AMMFFFY 	C49H61N7O9S2	955.3973	NA	PeJP	NA	NA
+PJ099020	SSTTTTTEE 	C36H61N9O21	955.3982	NA	PeJP	NA	NA
+PJ099021	STTKEEMM 	C37H65N9O16S2	955.3991	NA	PeJP	NA	NA
+PJ099022	SSSNNERY 	C37H57N13O17	955.3996	NA	PeJP	NA	NA
+PJ099023	GVKEMMMM 	C38H69N9O11S4	955.4	NA	PeJP	NA	NA
+PJ099024	SSSCCKRW 	C38H61N13O12S2	955.4004	NA	PeJP	NA	NA
+PJ099025	GGGGQMMRY 	C38H61N13O12S2	955.4005	NA	PeJP	NA	NA
+PJ099026	SSSQHHHH 	C38H53N17O13	955.4009	NA	PeJP	NA	NA
+PJ099027	DMRYWW 	C46H57N11O10S	955.4011	NA	PeJP	NA	NA
+PJ099028	SSSSSSQMR 	C34H61N13O17S	955.4029	NA	PeJP	NA	NA
+PJ099029	SSEERYW 	C42H57N11O15	955.4036	NA	PeJP	NA	NA
+PJ099030	SSCNKMMR 	C35H65N13O12S3	955.4038	NA	PeJP	NA	NA
+PJ099031	GNNNNMHR 	C35H57N17O13S	955.4043	NA	PeJP	NA	NA
+PJ099032	PTCMRYW 	C43H61N11O10S2	955.4045	NA	PeJP	NA	NA
+PJ099033	PNEHHHW 	C43H53N15O11	955.4049	NA	PeJP	NA	NA
+PJ099034	GGPEHHHW 	C43H53N15O11	955.405	NA	PeJP	NA	NA
+PJ099035	CLYWWW 	C51H57N9O8S	955.4051	NA	PeJP	NA	NA
+PJ099036	GSSSSSKMW 	C39H61N11O15S	955.407	NA	PeJP	NA	NA
+PJ099037	ATTEYWW 	C47H57N9O13	955.4076	NA	PeJP	NA	NA
+PJ099038	TTMMMRW 	C40H65N11O10S3	955.4078	NA	PeJP	NA	NA
+PJ099039	GAPCCCKKF 	C40H65N11O10S3	955.4079	NA	PeJP	NA	NA
+PJ099040	GSPCNHRW 	C40H57N15O11S	955.4083	NA	PeJP	NA	NA
+PJ099041	GVMMFWW 	C48H61N9O8S2	955.4085	NA	PeJP	NA	NA
+PJ099042	NQHWWW 	C48H53N13O9	955.409	NA	PeJP	NA	NA
+PJ099043	ASSSSSTTTQ 	C35H61N11O20	955.4094	NA	PeJP	NA	NA
+PJ099044	GSSSSSSTKE 	C35H61N11O20	955.4095	NA	PeJP	NA	NA
+PJ099045	STTTEMMR 	C36H65N11O15S2	955.4103	NA	PeJP	NA	NA
+PJ099046	DDEEHRR 	C36H57N15O16	955.4108	NA	PeJP	NA	NA
+PJ099047	GGGGGGGGGGAAPQ 	C36H57N15O16	955.4109	NA	PeJP	NA	NA
+PJ099048	AKEEMYW 	C44H61N9O13S	955.411	NA	PeJP	NA	NA
+PJ099049	KEMMMMR 	C37H69N11O10S4	955.4112	NA	PeJP	NA	NA
+PJ099050	VYYYYW 	C52H57N7O11	955.4116	NA	PeJP	NA	NA
+PJ099051	CNNMRRY 	C37H61N15O11S2	955.4117	NA	PeJP	NA	NA
+PJ099052	LMMMHFF 	C45H65N9O8S3	955.4119	NA	PeJP	NA	NA
+PJ099053	AQMHHFW 	C45H57N13O9S	955.4123	NA	PeJP	NA	NA
+PJ099054	GTTKEEEY 	C40H61N9O18	955.4135	NA	PeJP	NA	NA
+PJ099055	SSSSSSCRR 	C33H61N15O16S	955.4142	NA	PeJP	NA	NA
+PJ099056	SPTLNMMY 	C41H65N9O13S2	955.4143	NA	PeJP	NA	NA
+PJ099057	SSTTLMMW 	C41H65N9O13S2	955.4144	NA	PeJP	NA	NA
+PJ099058	GSSSNRYW 	C41H57N13O14	955.4148	NA	PeJP	NA	NA
+PJ099059	GGGPPDDRW 	C41H57N13O14	955.4149	NA	PeJP	NA	NA
+PJ099060	GLMFYYY 	C49H61N7O11S	955.415	NA	PeJP	NA	NA
+PJ099061	STCCCKRR 	C34H65N15O11S3	955.4151	NA	PeJP	NA	NA
+PJ099062	VKMMMMW 	C42H69N9O8S4	955.4152	NA	PeJP	NA	NA
+PJ099063	CCNKFRW 	C42H61N13O9S2	955.4157	NA	PeJP	NA	NA
+PJ099064	NQHHHHF 	C42H53N17O10	955.4162	NA	PeJP	NA	NA
+PJ099065	ATTTTTTEM 	C37H65N9O18S	955.4168	NA	PeJP	NA	NA
+PJ099066	SSSTTTLEM 	C37H65N9O18S	955.4169	NA	PeJP	NA	NA
+PJ099067	SSLKEMMM 	C38H69N9O13S3	955.4177	NA	PeJP	NA	NA
+PJ099068	SDEMRRY 	C38H61N13O14S	955.4182	NA	PeJP	NA	NA
+PJ099069	PTTEHWW 	C46H57N11O12	955.4188	NA	PeJP	NA	NA
+PJ099070	GLEEHWW 	C46H57N11O12	955.4189	NA	PeJP	NA	NA
+PJ099071	PCMMRRY 	C39H65N13O9S3	955.4191	NA	PeJP	NA	NA
+PJ099072	GTCKHHHH 	C39H57N17O10S	955.4196	NA	PeJP	NA	NA
+PJ099073	MMFRWW 	C47H61N11O7S2	955.4197	NA	PeJP	NA	NA
+PJ099074	GPHHHWW 	C47H53N15O8	955.4202	NA	PeJP	NA	NA
+PJ099075	GSSSSSSTTR 	C34H61N13O19	955.4207	NA	PeJP	NA	NA
+PJ099076	GSSSTCKMR 	C35H65N13O14S2	955.4216	NA	PeJP	NA	NA
+PJ099077	SSNNNQHR 	C35H57N17O15	955.422	NA	PeJP	NA	NA
+PJ099078	GSNDDHRR 	C35H57N17O15	955.4221	NA	PeJP	NA	NA
+PJ099079	ATEMRYW 	C43H61N11O12S	955.4222	NA	PeJP	NA	NA
+PJ099080	GGGGGGGLMFF 	C43H61N11O12S	955.4223	NA	PeJP	NA	NA
+PJ099081	TMMMMRR 	C36H69N13O9S4	955.4224	NA	PeJP	NA	NA
+PJ099082	GCCKKMMR 	C36H69N13O9S4	955.4225	NA	PeJP	NA	NA
+PJ099083	AAPYYWW 	C51H57N9O10	955.4229	NA	PeJP	NA	NA
+PJ099084	ACHHFRW 	C44H57N15O8S	955.4236	NA	PeJP	NA	NA
+PJ099085	SSSSSSTKW 	C39H61N11O17	955.4247	NA	PeJP	NA	NA
+PJ099086	GGGGPPKEEE 	C39H61N11O17	955.4248	NA	PeJP	NA	NA
+PJ099087	SSSCKKMW 	C40H65N11O12S2	955.4256	NA	PeJP	NA	NA
+PJ099088	SNQEHRW 	C40H57N15O13	955.4261	NA	PeJP	NA	NA
+PJ099089	GTLMYWW 	C48H61N9O10S	955.4262	NA	PeJP	NA	NA
+PJ099090	GGPVMFYW 	C48H61N9O10S	955.4263	NA	PeJP	NA	NA
+PJ099091	FFFFYW 	C56H57N7O8	955.4269	NA	PeJP	NA	NA
+PJ099092	SSSSSDKKM 	C36H65N11O17S	955.4281	NA	PeJP	NA	NA
+PJ099093	TTKEEYW 	C44H61N9O15	955.4287	NA	PeJP	NA	NA
+PJ099094	GPPLEEEW 	C44H61N9O15	955.4288	NA	PeJP	NA	NA
+PJ099095	SSTLMMMR 	C37H69N11O12S3	955.429	NA	PeJP	NA	NA
+PJ099096	GSSCQRRY 	C37H61N15O13S	955.4294	NA	PeJP	NA	NA
+PJ099097	GGAAQEMHR 	C37H61N15O13S	955.4295	NA	PeJP	NA	NA
+PJ099098	PTKMMYW 	C45H65N9O10S2	955.4296	NA	PeJP	NA	NA
+PJ099099	GNKEHWW 	C45H57N13O11	955.4301	NA	PeJP	NA	NA
+PJ099100	AMFFFFF 	C53H61N7O8S	955.4303	NA	PeJP	NA	NA
+PJ099101	KKEEEMY 	C41H65N9O15S	955.4321	NA	PeJP	NA	NA
+PJ099102	ATLYYYY 	C49H61N7O13	955.4328	NA	PeJP	NA	NA
+PJ099103	GPVKMMMY 	C42H69N9O10S3	955.433	NA	PeJP	NA	NA
+PJ099104	SCNKRYW 	C42H61N13O11S	955.4334	NA	PeJP	NA	NA
+PJ099105	GGSCKRYW 	C42H61N13O11S	955.4335	NA	PeJP	NA	NA
+PJ099106	LEHWWW 	C50H57N11O9	955.4341	NA	PeJP	NA	NA
+PJ099107	TTTTTTTTE 	C37H65N9O20	955.4346	NA	PeJP	NA	NA
+PJ099108	SSSSTLLMM 	C38H69N9O15S2	955.4355	NA	PeJP	NA	NA
+PJ099109	SSSTQQRY 	C38H61N13O16	955.4359	NA	PeJP	NA	NA
+PJ099110	SSSNDKRY 	C38H61N13O16	955.436	NA	PeJP	NA	NA
+PJ099111	ATLKMMMM 	C39H73N9O10S4	955.4364	NA	PeJP	NA	NA
+PJ099112	AEMMRRY 	C39H65N13O11S2	955.4368	NA	PeJP	NA	NA
+PJ099113	GGGGPPPMMR 	C39H65N13O11S2	955.4369	NA	PeJP	NA	NA
+PJ099114	GSPEHHHR 	C39H57N17O12	955.4373	NA	PeJP	NA	NA
+PJ099115	SPLMHWW 	C47H61N11O9S	955.4375	NA	PeJP	NA	NA
+PJ099116	SSSSSSKMR 	C35H65N13O16S	955.4393	NA	PeJP	NA	NA
+PJ099117	TTTERYW 	C43H61N11O14	955.44	NA	PeJP	NA	NA
+PJ099118	STCCKKMR 	C36H69N13O11S3	955.4402	NA	PeJP	NA	NA
+PJ099119	NNEMHRR 	C36H61N17O12S	955.4407	NA	PeJP	NA	NA
+PJ099120	GLMMRYW 	C44H65N11O9S2	955.4409	NA	PeJP	NA	NA
+PJ099121	GSQHRWW 	C44H57N15O10	955.4413	NA	PeJP	NA	NA
+PJ099122	TKEEMRY 	C40H65N11O14S	955.4433	NA	PeJP	NA	NA
+PJ099123	GSTLEMRY 	C40H65N11O14S	955.4434	NA	PeJP	NA	NA
+PJ099124	STTLYWW 	C48H61N9O12	955.444	NA	PeJP	NA	NA
+PJ099125	PKMMMRY 	C41H69N11O9S3	955.4442	NA	PeJP	NA	NA
+PJ099126	AQQMHRW 	C41H61N15O10S	955.4447	NA	PeJP	NA	NA
+PJ099127	NKHWWW 	C49H57N13O8	955.4453	NA	PeJP	NA	NA
+PJ099128	GGKHWWW 	C49H57N13O8	955.4454	NA	PeJP	NA	NA
+PJ099129	SSSSSSSSLK 	C36H65N11O19	955.4458	NA	PeJP	NA	NA
+PJ099130	GSSSTKKMM 	C37H69N11O14S2	955.4467	NA	PeJP	NA	NA
+PJ099131	SSSSNRRY 	C37H61N15O15	955.4472	NA	PeJP	NA	NA
+PJ099132	SLKEMYW 	C45H65N9O12S	955.4474	NA	PeJP	NA	NA
+PJ099133	GCKKKMMM 	C38H73N11O9S4	955.4476	NA	PeJP	NA	NA
+PJ099134	GLFFFYY 	C53H61N7O10	955.448	NA	PeJP	NA	NA
+PJ099135	CCQKRRY 	C38H65N15O10S2	955.4481	NA	PeJP	NA	NA
+PJ099136	NQQHHHR 	C38H57N19O11	955.4485	NA	PeJP	NA	NA
+PJ099137	GGGAQHHHR 	C38H57N19O11	955.4486	NA	PeJP	NA	NA
+PJ099138	AKMHHFW 	C46H61N13O8S	955.4487	NA	PeJP	NA	NA
+PJ099139	SSTLKEEY 	C41H65N9O17	955.4499	NA	PeJP	NA	NA
+PJ099140	SSPLKMMY 	C42H69N9O12S2	955.4507	NA	PeJP	NA	NA
+PJ099141	AALKEMMY 	C42H69N9O12S2	955.4508	NA	PeJP	NA	NA
+PJ099142	SLEEHRW 	C42H61N13O13	955.4512	NA	PeJP	NA	NA
+PJ099143	GGGGGGGAAPLW 	C42H61N13O13	955.4513	NA	PeJP	NA	NA
+PJ099144	CNDHRRR 	C35H61N19O11S	955.4519	NA	PeJP	NA	NA
+PJ099145	PVMMHRW 	C43H65N13O8S2	955.4521	NA	PeJP	NA	NA
+PJ099146	SPHHHRW 	C43H57N17O9	955.4526	NA	PeJP	NA	NA
+PJ099147	STTTTTTLM 	C38H69N9O17S	955.4532	NA	PeJP	NA	NA
+PJ099148	TTTLKMMM 	C39H73N9O12S3	955.4541	NA	PeJP	NA	NA
+PJ099149	TTEMRRY 	C39H65N13O13S	955.4546	NA	PeJP	NA	NA
+PJ099150	SVLEHWW 	C47H61N11O11	955.4552	NA	PeJP	NA	NA
+PJ099151	GGPPKEWW 	C47H61N11O11	955.4553	NA	PeJP	NA	NA
+PJ099152	CLMMFRR 	C40H69N13O8S3	955.4555	NA	PeJP	NA	NA
+PJ099153	GNMHRRW 	C40H61N17O9S	955.4559	NA	PeJP	NA	NA
+PJ099154	GSSQEHRR 	C36H61N17O14	955.4584	NA	PeJP	NA	NA
+PJ099155	GGGGGPNERR 	C36H61N17O14	955.4585	NA	PeJP	NA	NA
+PJ099156	STLMRYW 	C44H65N11O11S	955.4586	NA	PeJP	NA	NA
+PJ099157	AALFYWW 	C52H61N9O9	955.4593	NA	PeJP	NA	NA
+PJ099158	SSTTLERY 	C40H65N11O16	955.4611	NA	PeJP	NA	NA
+PJ099159	VKEMMRY 	C41H69N11O11S2	955.462	NA	PeJP	NA	NA
+PJ099160	SNKEHRW 	C41H61N15O12	955.4624	NA	PeJP	NA	NA
+PJ099161	GGSKEHRW 	C41H61N15O12	955.4625	NA	PeJP	NA	NA
+PJ099162	PCLKFYW 	C49H65N9O9S	955.4626	NA	PeJP	NA	NA
+MJ098586	Liposidomycin; Liposidomycin A-I, 10,11-Dihydro, desulfo 	C44H69N5O18	955.46376	NA	MeJP	NA	NA
+PJ099163	SSSSTTKKM 	C37H69N11O16S	955.4645	NA	PeJP	NA	NA
+PJ099164	SSSTLLYW 	C45H65N9O14	955.4651	NA	PeJP	NA	NA
+PJ099165	GAPPPLEEF 	C45H65N9O14	955.4652	NA	PeJP	NA	NA
+PJ099166	STCKKKMM 	C38H73N11O11S3	955.4654	NA	PeJP	NA	NA
+PJ099167	GSSCKRRY 	C38H65N15O12S	955.4658	NA	PeJP	NA	NA
+PJ099168	GGGGGAPPCKR 	C38H65N15O12S	955.4659	NA	PeJP	NA	NA
+PJ099169	VVKMMYW 	C46H69N9O9S2	955.466	NA	PeJP	NA	NA
+PJ099170	SPPQRWW 	C46H61N13O10	955.4665	NA	PeJP	NA	NA
+PJ099171	ATTLKEMY 	C42H69N9O14S	955.4685	NA	PeJP	NA	NA
+PJ099172	GVLKMMMF 	C43H73N9O9S3	955.4694	NA	PeJP	NA	NA
+PJ099173	CLLEHRW 	C43H65N13O10S	955.4698	NA	PeJP	NA	NA
+PJ099174	VVEMHRW 	C43H65N13O10S	955.4699	NA	PeJP	NA	NA
+PJ099175	GPPKWWW 	C51H61N11O8	955.4705	NA	PeJP	NA	NA
+PJ099176	SSSTQKRY 	C39H65N13O15	955.4723	NA	PeJP	NA	NA
+PJ099177	VVTTDEHR 	C39H65N13O15	955.4724	NA	PeJP	NA	NA
+PJ099178	SLMMRRY 	C40H69N13O10S2	955.4732	NA	PeJP	NA	NA
+PJ099179	SSQHRRW 	C40H61N17O11	955.4737	NA	PeJP	NA	NA
+PJ099180	ALLMHWW 	C48H65N11O8S	955.4739	NA	PeJP	NA	NA
+PJ099181	GSSTKKYW 	C44H65N11O13	955.4764	NA	PeJP	NA	NA
+PJ099182	GPPCDRRR 	C37H65N17O11S	955.4771	NA	PeJP	NA	NA
+PJ099183	PKMMFFR 	C45H69N11O8S2	955.4772	NA	PeJP	NA	NA
+PJ099184	GSKHRWW 	C45H61N15O9	955.4777	NA	PeJP	NA	NA
+PJ099185	SSSLLMRY 	C41H69N11O13S	955.4797	NA	PeJP	NA	NA
+PJ099186	PPVVEEMR 	C41H69N11O13S	955.4798	NA	PeJP	NA	NA
+PJ099187	SPLKYYW 	C49H65N9O11	955.4804	NA	PeJP	NA	NA
+PJ099188	LKMMMFR 	C42H73N11O8S3	955.4806	NA	PeJP	NA	NA
+PJ099189	PPNMRRW 	C42H65N15O9S	955.4811	NA	PeJP	NA	NA
+PJ099190	AAPQEERR 	C38H65N15O14	955.4836	NA	PeJP	NA	NA
+PJ099191	APPLLEMW 	C46H69N9O11S	955.4838	NA	PeJP	NA	NA
+PJ099192	CCKKRRY 	C39H69N15O9S2	955.4845	NA	PeJP	NA	NA
+PJ099193	VDHHHRR 	C39H61N19O10	955.4849	NA	PeJP	NA	NA
+PJ099194	TTTTLKEY 	C42H69N9O16	955.4863	NA	PeJP	NA	NA
+PJ099195	GTLLKMMY 	C43H73N9O11S2	955.4871	NA	PeJP	NA	NA
+PJ099196	GSPPKERW 	C43H65N13O12	955.4876	NA	PeJP	NA	NA
+PJ099197	SNMHRRR 	C36H65N19O10S	955.4883	NA	PeJP	NA	NA
+PJ099198	ALHHHRW 	C44H61N17O8	955.4889	NA	PeJP	NA	NA
+PJ099199	GHHFFRR 	C44H61N17O8	955.489	NA	PeJP	NA	NA
+PJ099200	GSSKKMRY 	C40H69N13O12S	955.491	NA	PeJP	NA	NA
+PJ099201	TTLLHWW 	C48H65N11O10	955.4916	NA	PeJP	NA	NA
+PJ099202	ACKHRRW 	C41H65N17O8S	955.4923	NA	PeJP	NA	NA
+PJ099203	PNEERRR 	C37H65N17O13	955.4948	NA	PeJP	NA	NA
+PJ099204	TCKKKYW 	C45H69N11O10S	955.495	NA	PeJP	NA	NA
+PJ099205	VLHFFFF 	C53H65N9O8	955.4956	NA	PeJP	NA	NA
+PJ099206	TTTTTLRY 	C41H69N11O15	955.4975	NA	PeJP	NA	NA
+PJ099207	QKKKMMY 	C42H73N11O10S2	955.4984	NA	PeJP	NA	NA
+PJ099208	PVNERRW 	C42H65N15O11	955.4988	NA	PeJP	NA	NA
+PJ099209	GGPVERRW 	C42H65N15O11	955.4989	NA	PeJP	NA	NA
+PJ099210	VVKMFFW 	C50H69N9O8S	955.499	NA	PeJP	NA	NA
+PJ099211	GPLLLEEW 	C46H69N9O13	955.5015	NA	PeJP	NA	NA
+PJ099212	GPPDKMRR 	C39H69N15O11S	955.5022	NA	PeJP	NA	NA
+PJ099213	SPPKRWW 	C47H65N13O9	955.5029	NA	PeJP	NA	NA
+PJ099214	STTLLKMY 	C43H73N9O13S	955.5049	NA	PeJP	NA	NA
+PJ099215	GSSTHRRR 	C36H65N19O12	955.5061	NA	PeJP	NA	NA
+PJ099216	TLLMHRW 	C44H69N13O9S	955.5062	NA	PeJP	NA	NA
+PJ099217	SSSTKKRY 	C40H69N13O14	955.5087	NA	PeJP	NA	NA
+PJ099218	GGAPLKEER 	C40H69N13O14	955.5088	NA	PeJP	NA	NA
+PJ099219	CKKKMRY 	C41H73N13O9S2	955.5096	NA	PeJP	NA	NA
+PJ099220	GPERRRW 	C41H65N17O10	955.5101	NA	PeJP	NA	NA
+PJ099221	SPPTLQKW 	C45H69N11O12	955.5127	NA	PeJP	NA	NA
+PJ099222	SSTLLLHW 	C45H69N11O12	955.5128	NA	PeJP	NA	NA
+PJ099223	TQKMHRR 	C38H69N17O10S	955.5134	NA	PeJP	NA	NA
+PJ099224	GSPPMRRR 	C38H69N17O10S	955.5135	NA	PeJP	NA	NA
+PJ099225	GPVRRWW 	C46H65N15O8	955.5141	NA	PeJP	NA	NA
+PJ099226	GTTKKKMY 	C42H73N11O12S	955.5161	NA	PeJP	NA	NA
+PJ099227	GGGGAAPLLLM 	C42H73N11O12S	955.5162	NA	PeJP	NA	NA
+PJ099228	PLLLEWW 	C50H69N9O10	955.5168	NA	PeJP	NA	NA
+PJ099229	AKKMHRW 	C43H69N15O8S	955.5175	NA	PeJP	NA	NA
+PJ099230	AAPKEERR 	C39H69N15O13	955.52	NA	PeJP	NA	NA
+PJ099231	SPPLLLMW 	C47H73N9O10S	955.5202	NA	PeJP	NA	NA
+PJ099232	LLMMHRR 	C40H73N15O8S2	955.5208	NA	PeJP	NA	NA
+PJ099233	GQHFRRR 	C40H65N19O9	955.5213	NA	PeJP	NA	NA
+PJ099234	SSPPTLLLE 	C43H73N9O15	955.5226	NA	PeJP	NA	NA
+PJ099235	PVLLKEEE 	C43H73N9O15	955.5227	NA	PeJP	NA	NA
+PJ099236	AAPPLLLMM 	C44H77N9O10S2	955.5235	NA	PeJP	NA	NA
+PJ099237	PLQKERW 	C44H69N13O11	955.524	NA	PeJP	NA	NA
+PJ099238	TCKHRRR 	C37H69N19O9S	955.5247	NA	PeJP	NA	NA
+PJ099239	PRRRWW 	C45H65N17O7	955.5253	NA	PeJP	NA	NA
+3985	NA	GMNRRPIL	955.5263	opioid	Inhouse_peptide	NA	peptide
+PJ099240	SSLLLMHR 	C41H73N13O11S	955.5274	NA	PeJP	NA	NA
+PJ099241	PVLQKWW 	C49H69N11O9	955.528	NA	PeJP	NA	NA
+PJ099242	PDKERRR 	C38H69N17O12	955.5312	NA	PeJP	NA	NA
+PJ099243	GPPLKKMW 	C46H73N11O9S	955.5314	NA	PeJP	NA	NA
+PJ099244	STTTKKKY 	C42H73N11O14	955.5339	NA	PeJP	NA	NA
+PJ099245	KKKKMMY 	C43H77N11O9S2	955.5348	NA	PeJP	NA	NA
+PJ099246	PVDKRRW 	C43H69N15O10	955.5352	NA	PeJP	NA	NA
+PJ099247	SPVLLLEW 	C47H73N9O12	955.5379	NA	PeJP	NA	NA
+PJ099248	APPTKMRR 	C40H73N15O10S	955.5386	NA	PeJP	NA	NA
+PJ099249	VVLHFRW 	C48H69N13O8	955.5392	NA	PeJP	NA	NA
+PJ099250	APLKRWW 	C48H69N13O8	955.5393	NA	PeJP	NA	NA
+PJ099251	PLLLLQEM 	C44H77N9O12S	955.5413	NA	PeJP	NA	NA
+PJ099252	SPERRRR 	C37H69N19O11	955.5424	NA	PeJP	NA	NA
+PJ099253	GGGGLQRRR 	C37H69N19O11	955.5425	NA	PeJP	NA	NA
+PJ099254	VKKKMHW 	C45H73N13O8S	955.5426	NA	PeJP	NA	NA
+PJ099255	GPLKKEER 	C41H73N13O13	955.5451	NA	PeJP	NA	NA
+PJ099256	GGGGGGGALLLK 	C41H73N13O13	955.5452	NA	PeJP	NA	NA
+PJ099257	SPVRRRW 	C42H69N17O9	955.5465	NA	PeJP	NA	NA
+PJ099258	SPPTLKKW 	C46H73N11O11	955.5491	NA	PeJP	NA	NA
+PJ099259	GPVLKKEW 	C46H73N11O11	955.5492	NA	PeJP	NA	NA
+PJ099260	PLQMRRR 	C39H73N17O9S	955.5498	NA	PeJP	NA	NA
+PJ099261	PVVLLEMR 	C43H77N11O11S	955.5525	NA	PeJP	NA	NA
+PJ099262	APPLLLFW 	C51H73N9O9	955.5532	NA	PeJP	NA	NA
+PJ099263	GQQRRRR 	C36H69N21O10	955.5537	NA	PeJP	NA	NA
+PJ099264	SSPLLQRR 	C40H73N15O12	955.5563	NA	PeJP	NA	NA
+PJ099265	GPTLKERR 	C40H73N15O12	955.5564	NA	PeJP	NA	NA
+PJ099266	APLLLLMW 	C48H77N9O9S	955.5565	NA	PeJP	NA	NA
+PJ099267	GKHFRRR 	C41H69N19O8	955.5577	NA	PeJP	NA	NA
+PJ099268	VLLLLQEE 	C44H77N9O14	955.559	NA	PeJP	NA	NA
+PJ099269	GGLLLLLEE 	C44H77N9O14	955.5591	NA	PeJP	NA	NA
+PJ099270	PLKKERW 	C45H73N13O10	955.5604	NA	PeJP	NA	NA
+PJ099271	PCLRRRR 	C38H73N19O8S	955.5611	NA	PeJP	NA	NA
+PJ099272	SPPLKKMR 	C42H77N13O10S	955.5638	NA	PeJP	NA	NA
+PJ099273	PVLKKWW 	C50H73N11O8	955.5644	NA	PeJP	NA	NA
+PJ099274	VLQERRR 	C39H73N17O11	955.5676	NA	PeJP	NA	NA
+PJ099275	KKKKMFF 	C47H77N11O8S	955.5678	NA	PeJP	NA	NA
+PJ099276	ALLLLEER 	C43H77N11O13	955.5703	NA	PeJP	NA	NA
+PJ099277	PTLKRRW 	C44H73N15O9	955.5716	NA	PeJP	NA	NA
+PJ099278	GLLLLLEW 	C48H77N9O11	955.5743	NA	PeJP	NA	NA
+PJ099279	GPVLKMRR 	C41H77N15O9S	955.575	NA	PeJP	NA	NA
+PJ099280	PLLLLKEM 	C45H81N9O11S	955.5777	NA	PeJP	NA	NA
+PJ099281	ALERRRR 	C38H73N19O10	955.5788	NA	PeJP	NA	NA
+PJ099282	SPVLKKER 	C42H77N13O12	955.5815	NA	PeJP	NA	NA
+PJ099283	AVLRRRW 	C43H73N17O8	955.5828	NA	PeJP	NA	NA
+PJ099284	GLLRRRW 	C43H73N17O8	955.5829	NA	PeJP	NA	NA
+PJ099285	APTLLKKW 	C47H77N11O10	955.5855	NA	PeJP	NA	NA
+PJ099286	PLKMRRR 	C40H77N17O8S	955.5862	NA	PeJP	NA	NA
+PJ099287	PTLLLLMR 	C44H81N11O10S	955.5889	NA	PeJP	NA	NA
+PJ099288	LLLLLWW 	C52H77N9O8	955.5896	NA	PeJP	NA	NA
+PJ099289	GQKRRRR 	C37H73N21O9	955.5901	NA	PeJP	NA	NA
+PJ099290	SSPLLKRR 	C41H77N15O11	955.5927	NA	PeJP	NA	NA
+PJ099291	AALLKERR 	C41H77N15O11	955.5928	NA	PeJP	NA	NA
+3667	NA	KKFHLRK	955.593	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ099292	VLLLLKEE 	C45H81N9O13	955.5954	NA	PeJP	NA	NA
+PJ099293	LLLQKRW 	C46H77N13O9	955.5968	NA	PeJP	NA	NA
+PJ099294	APLLKKMR 	C43H81N13O9S	955.6001	NA	PeJP	NA	NA
+PJ099295	VLKERRR 	C40H77N17O10	955.604	NA	PeJP	NA	NA
+PJ099296	SLLLLLER 	C44H81N11O12	955.6067	NA	PeJP	NA	NA
+PJ099297	VVLKRRW 	C45H77N15O8	955.608	NA	PeJP	NA	NA
+PJ099298	SVLLLLLW 	C49H81N9O10	955.6107	NA	PeJP	NA	NA
+PJ099299	LLLLLLQM 	C46H85N9O10S	955.6141	NA	PeJP	NA	NA
+PJ099300	SLLRRRR 	C39H77N19O9	955.6152	NA	PeJP	NA	NA
+PJ099301	GLLLKKER 	C43H81N13O11	955.6179	NA	PeJP	NA	NA
+PJ099302	GVLLLKKW 	C48H81N11O9	955.6219	NA	PeJP	NA	NA
+PJ099303	VVLLLLMR 	C45H85N11O9S	955.6253	NA	PeJP	NA	NA
+PJ099304	GKKRRRR 	C38H77N21O8	955.6265	NA	PeJP	NA	NA
+PJ099305	GTLLLKRR 	C42H81N15O10	955.6291	NA	PeJP	NA	NA
+PJ099306	GTTLLLLLL 	C46H85N9O12	955.6318	NA	PeJP	NA	NA
+PJ099307	LLLKKRW 	C47H81N13O8	955.6331	NA	PeJP	NA	NA
+PJ099308	LQKKKRR 	C41H81N17O9	955.6404	NA	PeJP	NA	NA
+PJ099309	VVLLKKKE 	C45H85N11O11	955.643	NA	PeJP	NA	NA
+PJ099310	AAVTIILKK 	C45H85N11O11	955.6431	NA	PeJP	NA	NA
+PJ099311	PLLLLLKF 	C50H85N9O9	955.6471	NA	PeJP	NA	NA
+PJ099312	LLLLLLKM 	C47H89N9O9S	955.6504	NA	PeJP	NA	NA
+PJ099313	SVLLLKKR 	C44H85N13O10	955.6543	NA	PeJP	NA	NA
+PJ099314	GVLKKKKR 	C43H85N15O9	955.6655	NA	PeJP	NA	NA
+PJ099315	LKKKKRR 	C42H85N17O8	955.6767	NA	PeJP	NA	NA
+PJ099316	TLLLLKKK 	C46H89N11O10	955.6794	NA	PeJP	NA	NA
+PJ099317	ALLKKKKK 	C45H89N13O9	955.6907	NA	PeJP	NA	NA
+HMDB08783	PC(24:0/24:1(15Z))	C56H110NO8P	955.796936	NA	HMDB2010	NA	NA
+HMDB08815	PC(24:1(15Z)/24:0)	C56H110NO8P	955.796936	NA	HMDB2010	NA	NA
+2596	tachylepsin III from homocytes of horse shoe crab	KWCFRVCYRGICYRRCRG	956.03295	MH2+	Inhouse_peptide	NA	peptide
+MJ098587	Chebulinic acid 	C41H32O27	956.113095	NA	MeJP	NA	NA
+C10215	Chebulinic acid	C41H32O27	956.1131	NA	KEGG	NA	NA
+PJ099318	CCCCCCCCN 	C28H48N10O11S8	956.127	NA	PeJP	NA	NA
+PJ099319	CCCCCEMY 	C34H52N8O12S6	956.2029	NA	PeJP	NA	NA
+PJ099320	GCCCCCNDH 	C31H48N12O13S5	956.2068	NA	PeJP	NA	NA
+MJ098588	PRE 	C44H44O24	956.222252	NA	MeJP	NA	NA
+MJ098589	Precarthamin 	C44H44O24	956.222252	NA	MeJP	NA	NA
+PJ099321	CCCDDMMH 	C33H52N10O13S5	956.2319	NA	PeJP	NA	NA
+PJ099322	PCCCCCYY 	C38H52N8O11S5	956.2359	NA	PeJP	NA	NA
+PJ099323	CCCCCEFF 	C38H52N8O11S5	956.236	NA	PeJP	NA	NA
+PJ099324	CDDDDDEM 	C33H48N8O21S2	956.2376	NA	PeJP	NA	NA
+PJ099325	TCCCCMMY 	C35H56N8O11S6	956.2393	NA	PeJP	NA	NA
+PJ099326	GCCCNNNDD 	C31H48N12O17S3	956.2423	NA	PeJP	NA	NA
+PJ099327	GSCCCCNMH 	C32H52N12O12S5	956.2432	NA	PeJP	NA	NA
+PJ099328	CCCDDDHF 	C36H48N10O15S3	956.2463	NA	PeJP	NA	NA
+PJ099329	GSCCNDDDE 	C32H48N10O20S2	956.2488	NA	PeJP	NA	NA
+PJ099330	GPCCCNDDM 	C33H52N10O15S4	956.2497	NA	PeJP	NA	NA
+PJ099331	CCCCDHHH 	C34H48N14O11S4	956.251	NA	PeJP	NA	NA
+PJ099332	GCCCDMYY 	C38H52N8O13S4	956.2537	NA	PeJP	NA	NA
+PJ099333	SSSCCCCQH 	C32H52N12O14S4	956.2609	NA	PeJP	NA	NA
+PJ099334	SCCNDDDW 	C36H48N10O17S2	956.2641	NA	PeJP	NA	NA
+PJ099335	PCCCCNEW 	C37H52N10O12S4	956.2649	NA	PeJP	NA	NA
+PJ099336	SSSCNDDDD 	C32H48N10O22S	956.2666	NA	PeJP	NA	NA
+PJ099337	CNNDDDMM 	C33H52N10O17S3	956.2674	NA	PeJP	NA	NA
+PJ099338	GGCNDDDMM 	C33H52N10O17S3	956.2675	NA	PeJP	NA	NA
+PJ099339	SCCDMMMH 	C34H56N10O12S5	956.2683	NA	PeJP	NA	NA
+PJ099340	PCDDDDDY 	C37H48N8O20S	956.2706	NA	PeJP	NA	NA
+PJ099341	SSCCCEYY 	C38H52N8O15S3	956.2715	NA	PeJP	NA	NA
+PJ099342	GCCCMMFY 	C39H56N8O10S5	956.2723	NA	PeJP	NA	NA
+MJ098590	Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',3',6'-tris-O-(4-hydroxy-E-cinnamoyl) 	C49H48O20	956.273893	NA	MeJP	NA	NA
+PJ099343	SDDDDEMM 	C34H52N8O20S2	956.274	NA	PeJP	NA	NA
+PJ099344	PCDDDMMM 	C35H56N8O15S4	956.2748	NA	PeJP	NA	NA
+PJ099345	CCCCNQHF 	C36H52N12O11S4	956.2762	NA	PeJP	NA	NA
+PJ099346	CCCNDDER 	C32H52N12O16S3	956.2787	NA	PeJP	NA	NA
+PJ099347	GTCCCCCKH 	C33H56N12O11S5	956.2795	NA	PeJP	NA	NA
+PJ099348	GPCCCCWW 	C41H52N10O9S4	956.2802	NA	PeJP	NA	NA
+PJ099349	CNNDDDDF 	C36H48N10O19S	956.2818	NA	PeJP	NA	NA
+PJ099350	GGGGCDDDDF 	C36H48N10O19S	956.2819	NA	PeJP	NA	NA
+PJ099351	GCCNDEMW 	C37H52N10O14S3	956.2827	NA	PeJP	NA	NA
+PJ099352	GSSCNDDEM 	C33H52N10O19S2	956.2852	NA	PeJP	NA	NA
+PJ099353	GSPCCNDMM 	C34H56N10O14S4	956.2861	NA	PeJP	NA	NA
+PJ099354	CCNNDDHH 	C34H48N14O15S2	956.2865	NA	PeJP	NA	NA
+PJ099355	GGCCNDDHH 	C34H48N14O15S2	956.2866	NA	PeJP	NA	NA
+PJ099356	GCCCDFFY 	C42H52N8O12S3	956.2867	NA	PeJP	NA	NA
+PJ099357	ACCMMMMH 	C35H60N10O9S6	956.2869	NA	PeJP	NA	NA
+PJ099358	SCCCMHHH 	C35H52N14O10S4	956.2874	NA	PeJP	NA	NA
+PJ099359	GDDDDEEY 	C37H48N8O22	956.2884	NA	PeJP	NA	NA
+PJ099360	PCDDDDMF 	C38H52N8O17S2	956.2892	NA	PeJP	NA	NA
+PJ099361	GSCCMMYY 	C39H56N8O12S4	956.2901	NA	PeJP	NA	NA
+PJ099362	GDDEEMMM 	C35H56N8O17S3	956.2926	NA	PeJP	NA	NA
+PJ099363	SCDDDEHH 	C35H48N12O18S	956.2931	NA	PeJP	NA	NA
+PJ099364	GCCCDDRW 	C36H52N12O13S3	956.2939	NA	PeJP	NA	NA
+PJ099365	GGGGGGTCCCW 	C36H52N12O13S3	956.294	NA	PeJP	NA	NA
+MJ098591	Naamidine A; O11-Me, Zn complex 	C48H48N10O8Zn	956.294805	NA	MeJP	NA	NA
+PJ099366	GSSCCDDDR 	C32H52N12O18S2	956.2964	NA	PeJP	NA	NA
+PJ099367	GGGGGGSSSCCE 	C32H52N12O18S2	956.2965	NA	PeJP	NA	NA
+PJ099368	GSPCCCCER 	C33H56N12O13S4	956.2973	NA	PeJP	NA	NA
+PJ099369	CCNDMWW 	C41H52N10O11S3	956.2979	NA	PeJP	NA	NA
+PJ099370	GGCCDMWW 	C41H52N10O11S3	956.298	NA	PeJP	NA	NA
+PJ099371	SNNDDDDY 	C36H48N10O21	956.2996	NA	PeJP	NA	NA
+PJ099372	SSCNDDMW 	C37H52N10O16S2	956.3005	NA	PeJP	NA	NA
+PJ099373	SPCCCQMW 	C38H56N10O11S4	956.3013	NA	PeJP	NA	NA
+PJ099374	SSSSNDDDM 	C33H52N10O21S	956.3029	NA	PeJP	NA	NA
+PJ099375	GGSSSSDDDM 	C33H52N10O21S	956.303	NA	PeJP	NA	NA
+PJ099376	DDDDEYW 	C41H48N8O19	956.3036	NA	PeJP	NA	NA
+PJ099377	SNNDDMMM 	C34H56N10O16S3	956.3038	NA	PeJP	NA	NA
+PJ099378	CCNEYYY 	C42H52N8O14S2	956.3045	NA	PeJP	NA	NA
+PJ099379	SSCMMMMH 	C35H60N10O11S5	956.3047	NA	PeJP	NA	NA
+PJ099380	GSPCCCNHH 	C35H52N14O12S3	956.3052	NA	PeJP	NA	NA
+PJ099381	GCCCMFFF 	C43H56N8O9S4	956.3054	NA	PeJP	NA	NA
+PJ099382	SPDDDDMY 	C38H52N8O19S	956.307	NA	PeJP	NA	NA
+PJ099383	SSTCCMYY 	C39H56N8O14S3	956.3078	NA	PeJP	NA	NA
+PJ099384	DDEMMMW 	C39H56N8O14S3	956.3079	NA	PeJP	NA	NA
+PJ099385	CCCNNNMR 	C32H56N14O12S4	956.3085	NA	PeJP	NA	NA
+PJ099386	GGGGCCCNMR 	C32H56N14O12S4	956.3086	NA	PeJP	NA	NA
+PJ099387	SSDEEEMM 	C35H56N8O19S2	956.3104	NA	PeJP	NA	NA
+PJ099388	SPDDMMMM 	C36H60N8O14S4	956.3112	NA	PeJP	NA	NA
+PJ099389	GSSSCCNNW 	C36H52N12O15S2	956.3117	NA	PeJP	NA	NA
+PJ099390	SPCCCCRW 	C37H56N12O10S4	956.3126	NA	PeJP	NA	NA
+PJ099391	ACCCWWW 	C45H52N10O8S3	956.3132	NA	PeJP	NA	NA
+PJ099392	GSSSSSCNND 	C32H52N12O20S	956.3142	NA	PeJP	NA	NA
+PJ099393	SCCNDEMR 	C33H56N12O15S3	956.3151	NA	PeJP	NA	NA
+PJ099394	GSSCCEWW 	C41H52N10O13S2	956.3157	NA	PeJP	NA	NA
+PJ099395	PCCCNMMR 	C34H60N12O10S5	956.3159	NA	PeJP	NA	NA
+FL5FAAGI0013	Hexandraside C	C43H56O24	956.31615	137218-01-0	knapsack	NA	NA
+MJ098592	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C43H56O24	956.316152	NA	MeJP	NA	NA
+PJ099396	CCMMHFW 	C42H56N10O8S4	956.3166	NA	PeJP	NA	NA
+PJ099397	GSSSSCDEW 	C37H52N10O18S	956.3182	NA	PeJP	NA	NA
+PJ099398	GSCNEMMW 	C38H56N10O13S3	956.3191	NA	PeJP	NA	NA
+PJ099399	GCCYYYW 	C46H52N8O11S2	956.3197	NA	PeJP	NA	NA
+PJ099400	ACCCHHHF 	C39H52N14O9S3	956.3204	NA	PeJP	NA	NA
+PJ099401	GSSSSSSDDE 	C33H52N10O23	956.3207	NA	PeJP	NA	NA
+PJ099402	GSSSNDEMM 	C34H56N10O18S2	956.3216	NA	PeJP	NA	NA
+PJ099403	NNNNDDDH 	C34H48N14O19	956.3221	NA	PeJP	NA	NA
+PJ099404	DDDEMFW 	C42H52N8O16S	956.3222	NA	PeJP	NA	NA
+PJ099405	ACNQEMMM 	C35H60N10O13S4	956.3224	NA	PeJP	NA	NA
+PJ099406	GNNEMMMM 	C35H60N10O13S4	956.3225	NA	PeJP	NA	NA
+PJ099407	SCNNDMHH 	C35H52N14O14S2	956.3229	NA	PeJP	NA	NA
+PJ099408	CCQMFYY 	C43H56N8O11S3	956.3231	NA	PeJP	NA	NA
+PJ099409	GSDEEEEY 	C38H52N8O21	956.3247	NA	PeJP	NA	NA
+PJ099410	GPDDEMMY 	C39H56N8O16S2	956.3256	NA	PeJP	NA	NA
+PJ099411	GDDDDHHF 	C39H48N12O17	956.3261	NA	PeJP	NA	NA
+PJ099412	SCCCDDRR 	C32H56N14O14S3	956.3263	NA	PeJP	NA	NA
+PJ099413	PPCCEMMF 	C40H60N8O11S4	956.3265	NA	PeJP	NA	NA
+PJ099414	GCCNNNFW 	C40H52N12O12S2	956.3269	NA	PeJP	NA	NA
+PJ099415	GGGCCNNFW 	C40H52N12O12S2	956.327	NA	PeJP	NA	NA
+PJ099416	GTEEEMMM 	C36H60N8O16S3	956.329	NA	PeJP	NA	NA
+PJ099417	SCNNNNEY 	C36H52N12O17S	956.3294	NA	PeJP	NA	NA
+PJ099418	GCNDDDRY 	C36H52N12O17S	956.3295	NA	PeJP	NA	NA
+PJ099419	GPEMMMMM 	C37H64N8O11S5	956.3299	NA	PeJP	NA	NA
+PJ099420	GSCCDMRW 	C37H56N12O12S3	956.3303	NA	PeJP	NA	NA
+PJ099421	GCDDHHHH 	C37H48N16O13S	956.3308	NA	PeJP	NA	NA
+PJ099422	SSCCWWW 	C45H52N10O10S2	956.331	NA	PeJP	NA	NA
+PJ099423	GSSSCDDMR 	C33H56N12O17S2	956.3328	NA	PeJP	NA	NA
+PJ099424	SSSSCDWW 	C41H52N10O15S	956.3335	NA	PeJP	NA	NA
+PJ099425	GCNDMMMR 	C34H60N12O12S4	956.3337	NA	PeJP	NA	NA
+PJ099426	SCNMMWW 	C42H56N10O10S3	956.3343	NA	PeJP	NA	NA
+PJ099427	GGGPCCMFW 	C42H56N10O10S3	956.3344	NA	PeJP	NA	NA
+PJ099428	SSSSSSDDW 	C37H52N10O20	956.336	NA	PeJP	NA	NA
+PJ099429	SSSNDMMW 	C38H56N10O15S2	956.3368	NA	PeJP	NA	NA
+PJ099430	GGGGSPCEMY 	C38H56N10O15S2	956.3369	NA	PeJP	NA	NA
+PJ099431	NNMMMMW 	C39H60N10O10S4	956.3377	NA	PeJP	NA	NA
+PJ099432	GSCCQHHW 	C39H52N14O11S2	956.3382	NA	PeJP	NA	NA
+PJ099433	SSSSSNEEM 	C34H56N10O20S	956.3393	NA	PeJP	NA	NA
+PJ099434	SDEEEYW 	C42H52N8O18	956.34	NA	PeJP	NA	NA
+PJ099435	SSNQEMMM 	C35H60N10O15S3	956.3402	NA	PeJP	NA	NA
+PJ099436	GSSSCNEHH 	C35H52N14O16S	956.3407	NA	PeJP	NA	NA
+PJ099437	SCQMYYY 	C43H56N8O13S2	956.3408	NA	PeJP	NA	NA
+PJ099438	PDDMMYW 	C43H56N8O13S2	956.3409	NA	PeJP	NA	NA
+PJ099439	PCCNKMMM 	C36H64N10O10S5	956.3411	NA	PeJP	NA	NA
+PJ099440	GCNQMMHH 	C36H56N14O11S3	956.3416	NA	PeJP	NA	NA
+PJ099441	QEEEEMY 	C39H56N8O18S	956.3434	NA	PeJP	NA	NA
+PJ099442	SSSSCCNNR 	C32H56N14O16S2	956.344	NA	PeJP	NA	NA
+PJ099443	GGSSSSCCNR 	C32H56N14O16S2	956.3441	NA	PeJP	NA	NA
+PJ099444	TEEMMMW 	C40H60N8O13S3	956.3442	NA	PeJP	NA	NA
+PJ099445	GSCNNNYW 	C40H52N12O14S	956.3447	NA	PeJP	NA	NA
+PJ099446	GCCCEMRR 	C33H60N14O11S4	956.3449	NA	PeJP	NA	NA
+PJ099447	PMMMMMW 	C41H64N8O8S5	956.3451	NA	PeJP	NA	NA
+PJ099448	TCCCRWW 	C41H56N12O9S3	956.3456	NA	PeJP	NA	NA
+PJ099449	STTEEEMM 	C36H60N8O18S2	956.3467	NA	PeJP	NA	NA
+PJ099450	GSSSNNNDY 	C36H52N12O19	956.3472	NA	PeJP	NA	NA
+PJ099451	GVEEMMMM 	C37H64N8O13S4	956.3476	NA	PeJP	NA	NA
+PJ099452	SSSCCERW 	C37H56N12O14S2	956.3481	NA	PeJP	NA	NA
+PJ099453	GCNEYWW 	C45H52N10O12S	956.3487	NA	PeJP	NA	NA
+PJ099454	CCQMMRW 	C38H60N12O9S4	956.3489	NA	PeJP	NA	NA
+PJ099455	GACCMMRW 	C38H60N12O9S4	956.349	NA	PeJP	NA	NA
+PJ099456	SPCCHHHH 	C38H52N16O10S2	956.3494	NA	PeJP	NA	NA
+PJ099457	SSSSSCDER 	C33H56N12O19S	956.3506	NA	PeJP	NA	NA
+PJ099458	GSSNDEYW 	C41H52N10O17	956.3512	NA	PeJP	NA	NA
+PJ099459	GGGGGDDEFF 	C41H52N10O17	956.3513	NA	PeJP	NA	NA
+PJ099460	SSCNEMMR 	C34H60N12O14S3	956.3514	NA	PeJP	NA	NA
+PJ099461	GGSSCEMMR 	C34H60N12O14S3	956.3515	NA	PeJP	NA	NA
+PJ099462	CNNNNNQH 	C34H52N16O15S	956.3519	NA	PeJP	NA	NA
+PJ099463	GGGGGGGGGGCQH 	C34H52N16O15S	956.352	NA	PeJP	NA	NA
+PJ099464	GSSTCMWW 	C42H56N10O12S2	956.3521	NA	PeJP	NA	NA
+PJ099465	GCCNMHHR 	C35H56N16O10S3	956.3528	NA	PeJP	NA	NA
+PJ099466	GSSSSSEMW 	C38H56N10O17S	956.3546	NA	PeJP	NA	NA
+PJ099467	GNDYYYY 	C46H52N8O15	956.3552	NA	PeJP	NA	NA
+PJ099468	PDDDFYW 	C46H52N8O15	956.3553	NA	PeJP	NA	NA
+PJ099469	GSSQMMMW 	C39H60N10O12S3	956.3555	NA	PeJP	NA	NA
+PJ099470	SSSCNHHW 	C39H52N14O13S	956.3559	NA	PeJP	NA	NA
+PJ099471	GGGCNEHHF 	C39H52N14O13S	956.356	NA	PeJP	NA	NA
+PJ099472	CCQFFFY 	C47H56N8O10S2	956.3561	NA	PeJP	NA	NA
+PJ099473	GSSSSSSTEE 	C34H56N10O22	956.3571	NA	PeJP	NA	NA
+PJ099474	GSSSTQEMM 	C35H60N10O17S2	956.358	NA	PeJP	NA	NA
+PJ099475	SSSSSNDHH 	C35H52N14O18	956.3584	NA	PeJP	NA	NA
+PJ099476	GNDDDEHR 	C35H52N14O18	956.3585	NA	PeJP	NA	NA
+PJ099477	AEEEMYW 	C43H56N8O15S	956.3586	NA	PeJP	NA	NA
+PJ099478	EEMMMMR 	C36H64N10O12S4	956.3588	NA	PeJP	NA	NA
+PJ099479	GGGDKMMMM 	C36H64N10O12S4	956.3589	NA	PeJP	NA	NA
+PJ099480	GCCNNQRY 	C36H56N14O13S2	956.3593	NA	PeJP	NA	NA
+PJ099481	PDMMMFW 	C44H60N8O10S3	956.3595	NA	PeJP	NA	NA
+MJ098593	Antibiotic MC 034 	C49H61ClO17	956.359728	NA	MeJP	NA	NA
+MJ098594	Chlorothricin; 2A?-Hydroxy, O-de-Me 	C49H61ClO17	956.359728	NA	MeJP	NA	NA
+PJ099482	PCNDHWW 	C44H52N12O11S	956.36	NA	PeJP	NA	NA
+PJ099483	CCCMRRW 	C37H60N14O8S4	956.3602	NA	PeJP	NA	NA
+PJ099484	GTTEEEEY 	C39H56N8O20	956.3611	NA	PeJP	NA	NA
+PJ099485	GPTEEMMY 	C40H60N8O15S2	956.362	NA	PeJP	NA	NA
+PJ099486	NNEEEHW 	C40H52N12O16	956.3625	NA	PeJP	NA	NA
+PJ099487	SSCCDMRR 	C33H60N14O13S3	956.3627	NA	PeJP	NA	NA
+PJ099488	VEMMMMW 	C41H64N8O10S4	956.3629	NA	PeJP	NA	NA
+PJ099489	CCNEFRW 	C41H56N12O11S2	956.3633	NA	PeJP	NA	NA
+PJ099490	CNYWWW 	C49H52N10O9S	956.364	NA	PeJP	NA	NA
+PJ099491	SSLEEMMM 	C37H64N8O15S3	956.3654	NA	PeJP	NA	NA
+PJ099492	GSNDDMRY 	C37H56N12O16S	956.3658	NA	PeJP	NA	NA
+PJ099493	GGGGGGGGSTMY 	C37H56N12O16S	956.3659	NA	PeJP	NA	NA
+PJ099494	SPVMMMMM 	C38H68N8O10S5	956.3662	NA	PeJP	NA	NA
+PJ099495	SSNDYWW 	C45H52N10O14	956.3665	NA	PeJP	NA	NA
+PJ099496	GSSCMMRW 	C38H60N12O11S3	956.3667	NA	PeJP	NA	NA
+PJ099497	GSDMHHHH 	C38H52N16O12S	956.3672	NA	PeJP	NA	NA
+PJ099498	ACNMFWW 	C46H56N10O9S2	956.3673	NA	PeJP	NA	NA
+PJ099499	GCQMFWW 	C46H56N10O9S2	956.3674	NA	PeJP	NA	NA
+PJ099500	SSSSSSSSNQ 	C33H56N12O21	956.3683	NA	PeJP	NA	NA
+PJ099501	GSSSSDMMR 	C34H60N12O16S2	956.3692	NA	PeJP	NA	NA
+PJ099502	GSSNNNNNH 	C34H52N16O17	956.3697	NA	PeJP	NA	NA
+PJ099503	SSSSSMWW 	C42H56N10O14S	956.3698	NA	PeJP	NA	NA
+PJ099504	GGSQEMYW 	C42H56N10O14S	956.3699	NA	PeJP	NA	NA
+PJ099505	GSNMMMMR 	C35H64N12O11S4	956.3701	NA	PeJP	NA	NA
+PJ099506	SSCCQHHR 	C35H56N16O12S2	956.3705	NA	PeJP	NA	NA
+PJ099507	GGSTCCHHR 	C35H56N16O12S2	956.3706	NA	PeJP	NA	NA
+PJ099508	TCCKMWW 	C43H60N10O9S3	956.3707	NA	PeJP	NA	NA
+PJ099509	CNNHHFW 	C43H52N14O10S	956.3712	NA	PeJP	NA	NA
+PJ099510	SSSSSSTEW 	C38H56N10O19	956.3723	NA	PeJP	NA	NA
+PJ099511	GGSSTQEEY 	C38H56N10O19	956.3724	NA	PeJP	NA	NA
+PJ099512	SSSTQMMW 	C39H60N10O14S2	956.3732	NA	PeJP	NA	NA
+PJ099513	NDDDHRW 	C39H52N14O15	956.3737	NA	PeJP	NA	NA
+PJ099514	PPCEYYW 	C47H56N8O12S	956.3739	NA	PeJP	NA	NA
+PJ099515	CQKMMMW 	C40H64N10O9S4	956.3741	NA	PeJP	NA	NA
+PJ099516	GSCCKHHW 	C40H56N14O10S2	956.3746	NA	PeJP	NA	NA
+PJ099517	SSSSSDKEM 	C35H60N10O19S	956.3757	NA	PeJP	NA	NA
+PJ099518	TTEEEYW 	C43H56N8O17	956.3764	NA	PeJP	NA	NA
+PJ099519	SSNKEMMM 	C36H64N10O14S3	956.3766	NA	PeJP	NA	NA
+PJ099520	SSCNNNRY 	C36H56N14O15S	956.3771	NA	PeJP	NA	NA
+PJ099521	PTEMMYW 	C44H60N8O12S2	956.3772	NA	PeJP	NA	NA
+PJ099522	VDEMMFW 	C44H60N8O12S2	956.3773	NA	PeJP	NA	NA
+PJ099523	GNEEHWW 	C44H52N12O13	956.3777	NA	PeJP	NA	NA
+PJ099524	GPCCCRRY 	C37H60N14O10S3	956.3779	NA	PeJP	NA	NA
+PJ099525	GGPPCCMHR 	C37H60N14O10S3	956.378	NA	PeJP	NA	NA
+PJ099526	GCCFRWW 	C45H56N12O8S2	956.3786	NA	PeJP	NA	NA
+PJ099527	SPTTEEMY 	C40H60N8O17S	956.3797	NA	PeJP	NA	NA
+PJ099528	KEEEEMY 	C40H60N8O17S	956.3798	NA	PeJP	NA	NA
+PJ099529	GPVEMMMY 	C41H64N8O12S3	956.3806	NA	PeJP	NA	NA
+PJ099530	SCNERYW 	C41H56N12O13S	956.3811	NA	PeJP	NA	NA
+PJ099531	GTCCMMRR 	C34H64N14O10S4	956.3813	NA	PeJP	NA	NA
+PJ099532	CLMMHHW 	C42H60N12O8S3	956.382	NA	PeJP	NA	NA
+PJ099533	TCHHHHW 	C42H52N16O9S	956.3824	NA	PeJP	NA	NA
+PJ099534	SSSNDERY 	C37H56N12O18	956.3836	NA	PeJP	NA	NA
+PJ099535	ATLEMMMM 	C38H68N8O12S4	956.384	NA	PeJP	NA	NA
+PJ099536	SSSTCMRW 	C38H60N12O13S2	956.3844	NA	PeJP	NA	NA
+PJ099537	NNEMMRY 	C38H60N12O13S2	956.3845	NA	PeJP	NA	NA
+PJ099538	SSSEHHHH 	C38H52N16O14	956.3849	NA	PeJP	NA	NA
+PJ099539	GGGGSPDHHH 	C38H52N16O14	956.385	NA	PeJP	NA	NA
+PJ099540	GSQMYWW 	C46H56N10O11S	956.3851	NA	PeJP	NA	NA
+PJ099541	CCKMMRW 	C39H64N12O8S4	956.3853	NA	PeJP	NA	NA
+PJ099542	QMMHHHH 	C39H56N16O9S2	956.3858	NA	PeJP	NA	NA
+PJ099543	SSSSSSEMR 	C34H60N12O18S	956.387	NA	PeJP	NA	NA
+PJ099544	GSSTQEYW 	C42H56N10O16	956.3876	NA	PeJP	NA	NA
+PJ099545	SSSQMMMR 	C35H64N12O13S3	956.3878	NA	PeJP	NA	NA
+PJ099546	GSSSSCHHR 	C35H56N16O14S	956.3883	NA	PeJP	NA	NA
+PJ099547	AQQMMYW 	C43H60N10O11S2	956.3885	NA	PeJP	NA	NA
+PJ099548	SNNNHWW 	C43H52N14O12	956.3889	NA	PeJP	NA	NA
+PJ099549	GGSNNHWW 	C43H52N14O12	956.389	NA	PeJP	NA	NA
+PJ099550	ACCCKHHR 	C36H60N16O9S3	956.3892	NA	PeJP	NA	NA
+PJ099551	GSSSTTTMW 	C39H60N10O16S	956.391	NA	PeJP	NA	NA
+PJ099552	APEEYYW 	C47H56N8O14	956.3916	NA	PeJP	NA	NA
+PJ099553	GSSKMMMW 	C40H64N10O11S3	956.3919	NA	PeJP	NA	NA
+PJ099554	GSPCDHRW 	C40H56N14O12S	956.3923	NA	PeJP	NA	NA
+PJ099555	GGGGGGAAMHW 	C40H56N14O12S	956.3924	NA	PeJP	NA	NA
+PJ099556	CCKFFFY 	C48H60N8O9S2	956.3925	NA	PeJP	NA	NA
+PJ099557	NEHWWW 	C48H52N12O10	956.393	NA	PeJP	NA	NA
+PJ099558	SSSSSSSSLE 	C35H60N10O21	956.3935	NA	PeJP	NA	NA
+PJ099559	SSSSSLQMM 	C36H64N10O16S2	956.3943	NA	PeJP	NA	NA
+PJ099560	GSSSTKEMM 	C36H64N10O16S2	956.3944	NA	PeJP	NA	NA
+PJ099561	GSNEEEHR 	C36H56N14O17	956.3948	NA	PeJP	NA	NA
+PJ099562	GGGGGGSDKEH 	C36H56N14O17	956.3949	NA	PeJP	NA	NA
+PJ099563	SLEEMYW 	C44H60N8O14S	956.395	NA	PeJP	NA	NA
+PJ099564	GTQKMMMM 	C37H68N10O11S4	956.3952	NA	PeJP	NA	NA
+PJ099565	CNDMRRY 	C37H60N14O12S2	956.3957	NA	PeJP	NA	NA
+PJ099566	PVMMMYW 	C45H64N8O9S3	956.3959	NA	PeJP	NA	NA
+PJ099567	GNNNQHHH 	C37H52N18O13	956.3962	NA	PeJP	NA	NA
+PJ099568	GSCRYWW 	C45H56N12O10S	956.3963	NA	PeJP	NA	NA
+PJ099569	GGSPMHWW 	C45H56N12O10S	956.3964	NA	PeJP	NA	NA
+PJ099570	CMHHHHR 	C38H56N18O8S2	956.397	NA	PeJP	NA	NA
+PJ099571	SSTLEEEY 	C40H60N8O19	956.3975	NA	PeJP	NA	NA
+PJ099572	AALEEMMY 	C41H64N8O14S2	956.3984	NA	PeJP	NA	NA
+PJ099573	GSSSDRYW 	C41H56N12O15	956.3988	NA	PeJP	NA	NA
+PJ099574	GPPDDDRW 	C41H56N12O15	956.3989	NA	PeJP	NA	NA
+PJ099575	SSSCMMRR 	C34H64N14O12S3	956.3991	NA	PeJP	NA	NA
+PJ099576	GPLMMMMF 	C42H68N8O9S4	956.3993	NA	PeJP	NA	NA
+PJ099577	GNMMRYW 	C42H60N12O10S2	956.3997	NA	PeJP	NA	NA
+PJ099578	NEHHHHF 	C42H52N16O11	956.4002	NA	PeJP	NA	NA
+PJ099579	ACHFFFW 	C50H56N10O8S	956.4004	NA	PeJP	NA	NA
+PJ099580	TTTLEMMM 	C38H68N8O14S3	956.4017	NA	PeJP	NA	NA
+PJ099581	GSSQEMRY 	C38H60N12O15S	956.4022	NA	PeJP	NA	NA
+PJ099582	GGGGGGAAPPEM 	C38H60N12O15S	956.4023	NA	PeJP	NA	NA
+PJ099583	GLLMMMMM 	C39H72N8O9S5	956.4026	NA	PeJP	NA	NA
+PJ099584	SSTQYWW 	C46H56N10O13	956.4029	NA	PeJP	NA	NA
+PJ099585	GPCCKMRY 	C39H64N12O10S3	956.4031	NA	PeJP	NA	NA
+PJ099586	CNNQHRW 	C39H56N16O11S	956.4035	NA	PeJP	NA	NA
+PJ099587	GGCNQHRW 	C39H56N16O11S	956.4036	NA	PeJP	NA	NA
+PJ099588	GCKMFWW 	C47H60N10O8S2	956.4037	NA	PeJP	NA	NA
+MJ098595	Chukrasins; Chukrasin E 	C49H64O19	956.404179	NA	MeJP	NA	NA
+PJ099589	SSSSSSSSNK 	C34H60N12O20	956.4047	NA	PeJP	NA	NA
+PJ099590	GSSSTTMMR 	C35H64N12O15S2	956.4056	NA	PeJP	NA	NA
+PJ099591	GSDDDHRR 	C35H56N16O16	956.4061	NA	PeJP	NA	NA
+PJ099592	SNKEMYW 	C43H60N10O13S	956.4062	NA	PeJP	NA	NA
+PJ099593	GGPPPTDMW 	C43H60N10O13S	956.4063	NA	PeJP	NA	NA
+PJ099594	GTCKMMMR 	C36H68N12O10S4	956.4065	NA	PeJP	NA	NA
+PJ099595	GNFFFYY 	C51H56N8O11	956.4069	NA	PeJP	NA	NA
+PJ099596	GHWWWW 	C52H52N12O7	956.4082	NA	PeJP	NA	NA
+PJ099597	SSSSTTTTW 	C39H60N10O18	956.4087	NA	PeJP	NA	NA
+PJ099598	ATLEEEEH 	C39H60N10O18	956.4088	NA	PeJP	NA	NA
+PJ099599	SSSTKMMW 	C40H64N10O13S2	956.4096	NA	PeJP	NA	NA
+PJ099600	SNEEHRW 	C40H56N14O14	956.4101	NA	PeJP	NA	NA
+PJ099601	ACKFYYY 	C48H60N8O11S	956.4102	NA	PeJP	NA	NA
+PJ099602	PPTMYYW 	C48H60N8O11S	956.4103	NA	PeJP	NA	NA
+PJ099603	CKKMMMW 	C41H68N10O8S4	956.4105	NA	PeJP	NA	NA
+PJ099604	ACCRRYW 	C41H60N14O9S2	956.411	NA	PeJP	NA	NA
+PJ099605	SSSSTTKEM 	C36H64N10O18S	956.4121	NA	PeJP	NA	NA
+PJ099606	PKEEEYY 	C44H60N8O16	956.4128	NA	PeJP	NA	NA
+PJ099607	SSDKKMMM 	C37H68N10O13S3	956.413	NA	PeJP	NA	NA
+PJ099608	QQEEMHR 	C37H60N14O14S	956.4134	NA	PeJP	NA	NA
+PJ099609	GSSCERRY 	C37H60N14O14S	956.4135	NA	PeJP	NA	NA
+PJ099610	VVEMMYW 	C45H64N8O11S2	956.4136	NA	PeJP	NA	NA
+PJ099611	GDKEHWW 	C45H56N12O12	956.4141	NA	PeJP	NA	NA
+PJ099612	CNMMFRR 	C38H64N14O9S3	956.4143	NA	PeJP	NA	NA
+PJ099613	GPCNHHHR 	C38H56N18O10S	956.4148	NA	PeJP	NA	NA
+PJ099614	GHHHHFW 	C46H52N16O8	956.4155	NA	PeJP	NA	NA
+PJ099615	ATTLEEMY 	C41H64N8O16S	956.4161	NA	PeJP	NA	NA
+PJ099616	APTLMMMY 	C42H68N8O11S3	956.417	NA	PeJP	NA	NA
+PJ099617	SSQMRYW 	C42H60N12O12S	956.4175	NA	PeJP	NA	NA
+PJ099618	GPPEWWW 	C50H56N10O10	956.4181	NA	PeJP	NA	NA
+PJ099619	SSSTQERY 	C38H60N12O17	956.42	NA	PeJP	NA	NA
+PJ099620	STLLMMMM 	C39H72N8O11S4	956.4204	NA	PeJP	NA	NA
+PJ099621	NDKMMRY 	C39H64N12O12S2	956.4208	NA	PeJP	NA	NA
+PJ099622	GGDKMMRY 	C39H64N12O12S2	956.4209	NA	PeJP	NA	NA
+PJ099623	GSSNNHRW 	C39H56N16O13	956.4213	NA	PeJP	NA	NA
+PJ099624	GGGGGGGAPPHH 	C39H56N16O13	956.4214	NA	PeJP	NA	NA
+PJ099625	GSKMYWW 	C47H60N10O10S	956.4215	NA	PeJP	NA	NA
+PJ099626	PCCHRRW 	C40H60N16O8S2	956.4222	NA	PeJP	NA	NA
+PJ099627	SSSSTTTMR 	C35H64N12O17S	956.4233	NA	PeJP	NA	NA
+PJ099628	GSSTKEYW 	C43H60N10O15	956.424	NA	PeJP	NA	NA
+PJ099629	SSSKMMMR 	C36H68N12O12S3	956.4242	NA	PeJP	NA	NA
+PJ099630	NDEMHRR 	C36H60N16O13S	956.4247	NA	PeJP	NA	NA
+PJ099631	AQKMMYW 	C44H64N10O10S2	956.4249	NA	PeJP	NA	NA
+PJ099632	GSEHRWW 	C44H56N14O11	956.4253	NA	PeJP	NA	NA
+PJ099633	GGGAQHHFF 	C44H56N14O11	956.4254	NA	PeJP	NA	NA
+PJ099634	GSDKKEMY 	C40H64N10O15S	956.4274	NA	PeJP	NA	NA
+PJ099635	SPLEYYW 	C48H60N8O13	956.428	NA	PeJP	NA	NA
+PJ099636	GPCKKMMY 	C41H68N10O10S3	956.4282	NA	PeJP	NA	NA
+PJ099637	GGGVKMMMF 	C41H68N10O10S3	956.4283	NA	PeJP	NA	NA
+PJ099638	SSCRRYW 	C41H60N14O11S	956.4287	NA	PeJP	NA	NA
+PJ099639	PVMMFFW 	C49H64N8O8S2	956.4289	NA	PeJP	NA	NA
+PJ099640	DKHWWW 	C49H56N12O9	956.4294	NA	PeJP	NA	NA
+PJ099641	SSSSSSTTTL 	C36H64N10O20	956.4298	NA	PeJP	NA	NA
+PJ099642	GSSTTTTTTT 	C36H64N10O20	956.4299	NA	PeJP	NA	NA
+PJ099643	SSSSSLKMM 	C37H68N10O15S2	956.4307	NA	PeJP	NA	NA
+PJ099644	SSSSDRRY 	C37H60N14O16	956.4312	NA	PeJP	NA	NA
+PJ099645	GGGGGGGGGAPKE 	C37H60N14O16	956.4313	NA	PeJP	NA	NA
+PJ099646	AAPLEMYY 	C45H64N8O13S	956.4314	NA	PeJP	NA	NA
+PJ099647	GTKKMMMM 	C38H72N10O10S4	956.4316	NA	PeJP	NA	NA
+PJ099648	SNMMRRY 	C38H64N14O11S2	956.4321	NA	PeJP	NA	NA
+PJ099649	VLMMMFW 	C46H68N8O8S3	956.4323	NA	PeJP	NA	NA
+PJ099650	NQEHHHR 	C38H56N18O12	956.4326	NA	PeJP	NA	NA
+PJ099651	GLQMHWW 	C46H60N12O9S	956.4327	NA	PeJP	NA	NA
+PJ099652	PPWWWW 	C54H56N10O7	956.4334	NA	PeJP	NA	NA
+PJ099653	TTTTLEEY 	C41H64N8O18	956.4339	NA	PeJP	NA	NA
+PJ099654	GTLLEMMY 	C42H68N8O13S2	956.4348	NA	PeJP	NA	NA
+PJ099655	GSSTTRYW 	C42H60N12O14	956.4352	NA	PeJP	NA	NA
+PJ099656	GGGGGPLQEW 	C42H60N12O14	956.4353	NA	PeJP	NA	NA
+PJ099657	CDDHRRR 	C35H60N18O12S	956.4359	NA	PeJP	NA	NA
+PJ099658	ACKMRYW 	C43H64N12O9S2	956.4361	NA	PeJP	NA	NA
+PJ099659	VNQHHHW 	C43H56N16O10	956.4366	NA	PeJP	NA	NA
+PJ099660	GSSKEMRY 	C39H64N12O14S	956.4386	NA	PeJP	NA	NA
+PJ099661	SSTKYWW 	C47H60N10O12	956.4392	NA	PeJP	NA	NA
+PJ099662	PPDKEWW 	C47H60N10O12	956.4393	NA	PeJP	NA	NA
+PJ099663	NKMMMFR 	C40H68N12O9S3	956.4395	NA	PeJP	NA	NA
+PJ099664	ACEHRRW 	C40H60N16O10S	956.4399	NA	PeJP	NA	NA
+PJ099665	GDMHRRW 	C40H60N16O10S	956.44	NA	PeJP	NA	NA
+PJ099666	SHRWWW 	C48H56N14O8	956.4406	NA	PeJP	NA	NA
+PJ099667	SSSSCCKKK 	C36H68N12O14S2	956.442	NA	PeJP	NA	NA
+PJ099668	ASSDEHRR 	C36H60N16O15	956.4424	NA	PeJP	NA	NA
+PJ099669	GSSEEHRR 	C36H60N16O15	956.4425	NA	PeJP	NA	NA
+PJ099670	SDKKMYW 	C44H64N10O12S	956.4426	NA	PeJP	NA	NA
+PJ099671	PPTFFYW 	C52H60N8O10	956.4433	NA	PeJP	NA	NA
+PJ099672	AAMHRWW 	C45H60N14O8S	956.444	NA	PeJP	NA	NA
+PJ099673	SSSKKEEY 	C40H64N10O17	956.4451	NA	PeJP	NA	NA
+PJ099674	GGGGPLLEEE 	C40H64N10O17	956.4452	NA	PeJP	NA	NA
+PJ099675	QKKEMMY 	C41H68N10O12S2	956.446	NA	PeJP	NA	NA
+PJ099676	SDKEHRW 	C41H60N14O13	956.4465	NA	PeJP	NA	NA
+PJ099677	PVVMYYW 	C49H64N8O10S	956.4466	NA	PeJP	NA	NA
+PJ099678	CLLEFFW 	C49H64N8O10S	956.4467	NA	PeJP	NA	NA
+PJ099679	PCKMHRW 	C42H64N14O8S2	956.4473	NA	PeJP	NA	NA
+PJ099680	GQHHHRW 	C42H56N18O9	956.4478	NA	PeJP	NA	NA
+PJ099681	SSTTTTTKM 	C37H68N10O17S	956.4485	NA	PeJP	NA	NA
+PJ099682	LLQEEYY 	C45H64N8O15	956.4491	NA	PeJP	NA	NA
+PJ099683	GALLEEYY 	C45H64N8O15	956.4492	NA	PeJP	NA	NA
+PJ099684	STTKKMMM 	C38H72N10O12S3	956.4494	NA	PeJP	NA	NA
+PJ099685	GSSTMRRY 	C38H64N14O13S	956.4498	NA	PeJP	NA	NA
+PJ099686	GPPDEMRR 	C38H64N14O13S	956.4499	NA	PeJP	NA	NA
+PJ099687	TLLMMYW 	C46H68N8O10S2	956.45	NA	PeJP	NA	NA
+PJ099688	SPPERWW 	C46H60N12O11	956.4505	NA	PeJP	NA	NA
+PJ099689	STTLLEMY 	C42H68N8O15S	956.4525	NA	PeJP	NA	NA
+PJ099690	GVLLMMMY 	C43H72N8O10S3	956.4534	NA	PeJP	NA	NA
+PJ099691	SSSNNHRR 	C35H60N18O14	956.4537	NA	PeJP	NA	NA
+PJ099692	SSKMRYW 	C43H64N12O11S	956.4538	NA	PeJP	NA	NA
+PJ099693	TTCKRYW 	C43H64N12O11S	956.4539	NA	PeJP	NA	NA
+PJ099694	SPPVWWW 	C51H60N10O9	956.4545	NA	PeJP	NA	NA
+PJ099695	STTTTQRY 	C39H64N12O16	956.4563	NA	PeJP	NA	NA
+PJ099696	SSSTKERY 	C39H64N12O16	956.4564	NA	PeJP	NA	NA
+PJ099697	TQKMMRY 	C40H68N12O11S2	956.4572	NA	PeJP	NA	NA
+PJ099698	GGGAALLMMH 	C40H68N12O11S2	956.4573	NA	PeJP	NA	NA
+PJ099699	SSEHRRW 	C40H60N16O12	956.4577	NA	PeJP	NA	NA
+PJ099700	PPLQMWW 	C48H64N10O9S	956.4579	NA	PeJP	NA	NA
+PJ099701	PHHHHHR 	C41H56N20O8	956.4591	NA	PeJP	NA	NA
+PJ099702	SSSSLKYW 	C44H64N10O14	956.4604	NA	PeJP	NA	NA
+PJ099703	TQEMHRR 	C37H64N16O12S	956.4611	NA	PeJP	NA	NA
+PJ099704	AKKMMYW 	C45H68N10O9S2	956.4612	NA	PeJP	NA	NA
+PJ099705	APPPKMMW 	C45H68N10O9S2	956.4613	NA	PeJP	NA	NA
+MJ098596	1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside], 1-Ac 	C47H72O20	956.461694	NA	MeJP	NA	NA
+MJ098597	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H72O20	956.461694	NA	MeJP	NA	NA
+MJ098598	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-glucopyranuronoside], 28-?-D-glucopyranosyl ester 	C47H72O20	956.461694	NA	MeJP	NA	NA
+MJ098599	Glaucogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-L-cymaropyranoside] 	C47H72O20	956.461694	NA	MeJP	NA	NA
+MJ098600	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[2-Carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H72O20	956.461694	NA	MeJP	NA	NA
+PJ099706	ATTHRWW 	C45H60N14O10	956.4617	NA	PeJP	NA	NA
+PJ099707	ASTKKEMY 	C41H68N10O14S	956.4637	NA	PeJP	NA	NA
+PJ099708	GTTKKEMY 	C41H68N10O14S	956.4638	NA	PeJP	NA	NA
+PJ099709	ALLEYYW 	C49H64N8O12	956.4644	NA	PeJP	NA	NA
+PJ099710	LLMMMRY 	C42H72N10O9S3	956.4646	NA	PeJP	NA	NA
+PJ099711	PPDMRRW 	C42H64N14O10S	956.4651	NA	PeJP	NA	NA
+PJ099712	GPKHFWW 	C50H60N12O8	956.4658	NA	PeJP	NA	NA
+PJ099713	SSSTTRRY 	C38H64N14O15	956.4676	NA	PeJP	NA	NA
+PJ099714	GPTLLMYY 	C46H68N8O12S	956.4678	NA	PeJP	NA	NA
+PJ099715	TCKMRRY 	C39H68N14O10S2	956.4685	NA	PeJP	NA	NA
+PJ099716	NNNHFRR 	C39H60N18O11	956.4689	NA	PeJP	NA	NA
+PJ099717	GGGGNHFRR 	C39H60N18O11	956.469	NA	PeJP	NA	NA
+PJ099718	PPCLRWW 	C47H64N12O8S	956.4691	NA	PeJP	NA	NA
+PJ099719	PVLLEEEE 	C42H68N8O17	956.4703	NA	PeJP	NA	NA
+PJ099720	SSLLLMMY 	C43H72N8O12S2	956.4711	NA	PeJP	NA	NA
+PJ099721	PLQEERW 	C43H64N12O13	956.4716	NA	PeJP	NA	NA
+PJ099722	GGGGGGAAPPLF 	C43H64N12O13	956.4717	NA	PeJP	NA	NA
+PJ099723	SDMHRRR 	C36H64N18O11S	956.4723	NA	PeJP	NA	NA
+PJ099724	PKKMMHW 	C44H68N12O8S2	956.4725	NA	PeJP	NA	NA
+PJ099725	PPQHHRW 	C44H60N16O9	956.473	NA	PeJP	NA	NA
+PJ099726	GTTTKMRY 	C40H68N12O13S	956.475	NA	PeJP	NA	NA
+PJ099727	PVLQEWW 	C48H64N10O11	956.4756	NA	PeJP	NA	NA
+PJ099728	GGPLLEWW 	C48H64N10O11	956.4757	NA	PeJP	NA	NA
+PJ099729	ATMHRRW 	C41H64N16O9S	956.4763	NA	PeJP	NA	NA
+PJ099730	PDEERRR 	C37H64N16O14	956.4788	NA	PeJP	NA	NA
+PJ099731	GGGGAPTERR 	C37H64N16O14	956.4789	NA	PeJP	NA	NA
+PJ099732	TTKKMYW 	C45H68N10O11S	956.479	NA	PeJP	NA	NA
+PJ099733	PVVFFYW 	C53H64N8O9	956.4797	NA	PeJP	NA	NA
+PJ099734	SQHHHRR 	C38H60N20O10	956.4802	NA	PeJP	NA	NA
+PJ099735	STTTKKEY 	C41H68N10O16	956.4815	NA	PeJP	NA	NA
+PJ099736	KKKEMMY 	C42H72N10O11S2	956.4824	NA	PeJP	NA	NA
+PJ099737	TTKEHRW 	C42H64N14O12	956.4828	NA	PeJP	NA	NA
+PJ099738	PVDERRW 	C42H64N14O12	956.4829	NA	PeJP	NA	NA
+PJ099739	VVLMFYW 	C50H68N8O9S	956.483	NA	PeJP	NA	NA
+PJ099740	GKHHHRW 	C43H60N18O8	956.4842	NA	PeJP	NA	NA
+PJ099741	LLKEEYY 	C46H68N8O14	956.4855	NA	PeJP	NA	NA
+PJ099742	APPTEMRR 	C39H68N14O12S	956.4862	NA	PeJP	NA	NA
+PJ099743	GGGGGGPVLMR 	C39H68N14O12S	956.4863	NA	PeJP	NA	NA
+PJ099744	GVLLMMFF 	C47H72N8O9S2	956.4864	NA	PeJP	NA	NA
+PJ099745	APLERWW 	C47H64N12O10	956.4869	NA	PeJP	NA	NA
+PJ099746	NQQQQRR 	C36H64N18O13	956.49	NA	PeJP	NA	NA
+PJ099747	GSPNDRRR 	C36H64N18O13	956.4901	NA	PeJP	NA	NA
+PJ099748	VKKEMHW 	C44H68N12O10S	956.4902	NA	PeJP	NA	NA
+PJ099749	GPPTLMRW 	C44H68N12O10S	956.4903	NA	PeJP	NA	NA
+PJ099750	GPLLWWW 	C52H64N10O8	956.4909	NA	PeJP	NA	NA
+PJ099751	STTTTKRY 	C40H68N12O15	956.4927	NA	PeJP	NA	NA
+PJ099752	GPLKEEER 	C40H68N12O15	956.4928	NA	PeJP	NA	NA
+PJ099753	TKKMMRY 	C41H72N12O10S2	956.4936	NA	PeJP	NA	NA
+PJ099754	TTTHRRW 	C41H64N16O11	956.4941	NA	PeJP	NA	NA
+PJ099755	PPLKMWW 	C49H68N10O8S	956.4943	NA	PeJP	NA	NA
+PJ099756	GPVLKEEW 	C45H68N10O13	956.4968	NA	PeJP	NA	NA
+PJ099757	TKEMHRR 	C38H68N16O11S	956.4975	NA	PeJP	NA	NA
+PJ099758	LLMMFFR 	C46H72N10O8S2	956.4976	NA	PeJP	NA	NA
+MJ098601	1,11-Dihydroxy-3-oxo-20(29)-lupen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098602	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 3?-Alcohol, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098603	12-Oleanene-3,22,24-triol, 24-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098604	13,28-Epoxy-11-oleanene-3,16,23,30-tetrol, 30-Aldehyde, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098605	13,28-Epoxy-3,16,23-trihydroxy-9(11)-oleanen-12-one, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098606	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], ?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098607	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?4)-[?-D-fucopyranosyl-(1?2)]-?-L-rhamnopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098608	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098609	2,3-Dihydroxy-23-oxo-12-ursen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098610	20(29)-Lupene-3,23,28-triol, 23,28-Dicarboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098611	20(29)-Lupene-3,23,28-triol, 23,28-Dicarboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098612	20(29)-Lupene-3,23,28-triol, 23,28-Dicarboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098613	20(29)-Lupene-3,23,28-triol; 3?-form, 23,28-Dicarboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098614	20(29)-Lupene-3,23,28-triol; 3?-form, 23,28-Dicarboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098615	3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098616	3,16,21-Trihydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-O-?-D-glucopyranoside 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098617	3,21-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098618	3,22-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098619	3,22-Dihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098620	3,23,29-Trihydroxy-12-oleanen-28-oic acid; 3?-form, 23-Aldehyde, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098621	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-xylopyranoside], 30-Me ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098622	3,23-Dihydroxy-30-oxo-12-oleanen-28-oic acid; 3?-form, 23-Aldehyde, 30-alcohol, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098623	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098624	3-Hydroxy-12-oleanene-23,28-dioic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098625	3-Hydroxy-12-oleanene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl(1?2)-?-L-rhamnopyranosyl(1?4)-?-D-glucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098626	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098627	3-Hydroxy-12-ursene-23,28-dioic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098628	3-Hydroxy-12-ursene-23,28-dioic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098629	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranoside], 27-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098630	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-fucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098631	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?3)-?-L-fucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098632	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-rhamnopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098633	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098634	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098635	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098636	Anatolioside B; 2''''-(6-Hydroxy-2,6-dimethyl-2,7-octadienoyl) 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098637	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098638	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098639	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098640	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranosyl-(1?3)-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098641	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098642	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098643	Oleanolic acid 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-D-galactopyranosyl-(1?3)]-?-D-glucuronopyranoside] 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098644	Oleanolic acid bisdesmosides; Triglycosides, 3-O-?-D-Glucuronopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098645	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098646	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucuronopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098647	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098648	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098649	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+MJ098650	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O19	956.49808	NA	MeJP	NA	NA
+C17543	Chikusetsusaponin V	C48H76O19	956.4981	NA	KEGG	NA	NA
+PJ099759	GPQKRWW 	C46H64N14O9	956.4981	NA	PeJP	NA	NA
+PJ099760	SSTLKKMY 	C42H72N10O13S	956.5001	NA	PeJP	NA	NA
+PJ099761	PPVKKEEM 	C42H72N10O13S	956.5002	NA	PeJP	NA	NA
+PJ099762	SLLLYYW 	C50H68N8O11	956.5008	NA	PeJP	NA	NA
+PJ099763	NNNQRRR 	C35H64N20O12	956.5013	NA	PeJP	NA	NA
+PJ099764	SLKMHRW 	C43H68N14O9S	956.5015	NA	PeJP	NA	NA
+PJ099765	GPTLEERR 	C39H68N14O14	956.504	NA	PeJP	NA	NA
+PJ099766	AALLLMYY 	C47H72N8O11S	956.5042	NA	PeJP	NA	NA
+PJ099767	GPPLMMRR 	C40H72N14O9S2	956.5049	NA	PeJP	NA	NA
+PJ099768	GEHFRRR 	C40H64N18O10	956.5053	NA	PeJP	NA	NA
+PJ099769	PLKEERW 	C44H68N12O12	956.508	NA	PeJP	NA	NA
+PJ099770	TTMHRRR 	C37H68N18O10S	956.5087	NA	PeJP	NA	NA
+PJ099771	GVHFRRW 	C45H64N16O8	956.5094	NA	PeJP	NA	NA
+PJ099772	SPPLKEMR 	C41H72N12O12S	956.5114	NA	PeJP	NA	NA
+PJ099773	PVLKEWW 	C49H68N10O10	956.512	NA	PeJP	NA	NA
+PJ099774	SSTTLHRR 	C38H68N16O13	956.5152	NA	PeJP	NA	NA
+PJ099775	GGGGGGGAALKR 	C38H68N16O13	956.5153	NA	PeJP	NA	NA
+PJ099776	SPPVLKMW 	C46H72N10O10S	956.5154	NA	PeJP	NA	NA
+PJ099777	VVLFFFW 	C54H68N8O8	956.5161	NA	PeJP	NA	NA
+PJ099778	SKHHHRR 	C39H64N20O9	956.5166	NA	PeJP	NA	NA
+PJ099779	PVVKKEEE 	C42H72N10O15	956.5179	NA	PeJP	NA	NA
+PJ099780	SLLLLMMH 	C43H76N10O10S2	956.5188	NA	PeJP	NA	NA
+PJ099781	PTLERRW 	C43H68N14O11	956.5192	NA	PeJP	NA	NA
+PJ099782	GGPKKERW 	C43H68N14O11	956.5193	NA	PeJP	NA	NA
+PJ099783	PCNRRRR 	C36H68N20O9S	956.5199	NA	PeJP	NA	NA
+PJ099784	HFRRRW 	C44H64N18O7	956.5206	NA	PeJP	NA	NA
+PJ099785	ATTLLLYY 	C47H72N8O13	956.5219	NA	PeJP	NA	NA
+PJ099786	GPVLEMRR 	C40H72N14O11S	956.5226	NA	PeJP	NA	NA
+PJ099787	SPLLRWW 	C48H68N12O9	956.5233	NA	PeJP	NA	NA
+PJ099788	PLLLLEEM 	C44H76N8O13S	956.5253	NA	PeJP	NA	NA
+PJ099789	NQQQKRR 	C37H68N18O12	956.5264	NA	PeJP	NA	NA
+PJ099790	VNQERRR 	C37H68N18O12	956.5265	NA	PeJP	NA	NA
+PJ099791	AAPLLMRW 	C45H72N12O9S	956.5266	NA	PeJP	NA	NA
+PJ099792	SPVLKEER 	C41H72N12O14	956.5291	NA	PeJP	NA	NA
+PJ099793	GGALLLEER 	C41H72N12O14	956.5292	NA	PeJP	NA	NA
+PJ099794	PPVVKMMR 	C42H76N12O9S2	956.53	NA	PeJP	NA	NA
+PJ099795	SPQKRRW 	C42H68N16O10	956.5305	NA	PeJP	NA	NA
+C15742	Cyanopeptolin A	C46H72N10O12	956.5331	NA	KEGG	NA	NA
+MJ098651	Cyanopeptolin A 	C46H72N10O12	956.533117	NA	MeJP	NA	NA
+PJ099796	APTLLKEW 	C46H72N10O12	956.5332	NA	PeJP	NA	NA
+PJ099797	PLEMRRR 	C39H72N16O10S	956.5339	NA	PeJP	NA	NA
+MJ098652	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C49H80O18	956.534465	NA	MeJP	NA	NA
+MJ098653	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O18	956.534465	NA	MeJP	NA	NA
+MJ098654	3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O18	956.534465	NA	MeJP	NA	NA
+MJ098655	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O18	956.534465	NA	MeJP	NA	NA
+MJ098656	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 3-O-[?-L-Cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O18	956.534465	NA	MeJP	NA	NA
+PJ099798	GPKKRWW 	C47H68N14O8	956.5345	NA	PeJP	NA	NA
+PJ099799	PVLLQKEM 	C43H76N10O12S	956.5365	NA	PeJP	NA	NA
+PJ099800	AALLLFFY 	C51H72N8O10	956.5372	NA	PeJP	NA	NA
+PJ099801	GQERRRR 	C36H68N20O11	956.5377	NA	PeJP	NA	NA
+PJ099802	PVLMRRW 	C44H72N14O8S	956.5379	NA	PeJP	NA	NA
+3096	fragment of laminin A chain:2091-2108	CSRARKQAASIKVAVSADR	956.53845	MH2+	Inhouse_peptide	NA	peptide
+3092	oxyntomodulin	KRNKNNIA	956.5387	celiac toxic	Inhouse_peptide	NA	peptide
+MJ098657	Cephalostatin 2; 1'?-Methoxy 	C55H76N2O12	956.539825	NA	MeJP	NA	NA
+MJ098658	Cephalostatin 2; 1?-Methoxy 	C55H76N2O12	956.539825	NA	MeJP	NA	NA
+PJ099803	AALLEERR 	C40H72N14O13	956.5404	NA	PeJP	NA	NA
+PJ099804	GVQRRRW 	C41H68N18O9	956.5417	NA	PeJP	NA	NA
+PJ099805	VLLLLEEE 	C44H76N8O15	956.5431	NA	PeJP	NA	NA
+PJ099806	LLLQERW 	C45H72N12O11	956.5444	NA	PeJP	NA	NA
+PJ099807	PNKMRRR 	C38H72N18O9S	956.5451	NA	PeJP	NA	NA
+PJ099808	APLLKEMR 	C42H76N12O11S	956.5478	NA	PeJP	NA	NA
+PJ099809	VLLLQWW 	C50H72N10O9	956.5484	NA	PeJP	NA	NA
+PJ099810	VLEERRR 	C39H72N16O12	956.5516	NA	PeJP	NA	NA
+PJ099811	GPLLLKMW 	C47H76N10O9S	956.5518	NA	PeJP	NA	NA
+PJ099812	QRRRRW 	C40H68N20O8	956.5529	NA	PeJP	NA	NA
+PJ099813	GARRRRW 	C40H68N20O8	956.553	NA	PeJP	NA	NA
+PJ099814	PTLLKKEE 	C43H76N10O14	956.5543	NA	PeJP	NA	NA
+PJ099815	PPLLKKMM 	C44H80N10O9S2	956.5552	NA	PeJP	NA	NA
+PJ099816	VVLERRW 	C44H72N14O10	956.5556	NA	PeJP	NA	NA
+MJ098659	Cyanopeptolin B; 4'-N,N-Di-Me 	C48H76N8O12	956.558269	NA	MeJP	NA	NA
+PJ099817	PPLLLLEY 	C48H76N8O12	956.5583	NA	PeJP	NA	NA
+PJ099818	APTLLMRR 	C41H76N14O10S	956.559	NA	PeJP	NA	NA
+PJ099819	ALLLRWW 	C49H72N12O8	956.5597	NA	PeJP	NA	NA
+PJ099820	VNKERRR 	C38H72N18O11	956.5628	NA	PeJP	NA	NA
+PJ099821	GGVKERRR 	C38H72N18O11	956.5629	NA	PeJP	NA	NA
+PJ099822	GLLLKEER 	C42H76N12O13	956.5655	NA	PeJP	NA	NA
+PJ099823	SPKKRRW 	C43H72N16O9	956.5669	NA	PeJP	NA	NA
+PJ099824	AVVLLKEW 	C47H76N10O11	956.5695	NA	PeJP	NA	NA
+PJ099825	GVLLLKEW 	C47H76N10O11	956.5696	NA	PeJP	NA	NA
+PJ099826	AAPKKMRR 	C40H76N16O9S	956.5702	NA	PeJP	NA	NA
+PJ099827	PVLLKKEM 	C44H80N10O11S	956.5729	NA	PeJP	NA	NA
+PJ099828	GKERRRR 	C37H72N20O10	956.5741	NA	PeJP	NA	NA
+PJ099829	AVQQQKKK 	C41H76N14O12	956.5767	NA	PeJP	NA	NA
+PJ099830	GTLLLERR 	C41H76N14O12	956.5768	NA	PeJP	NA	NA
+PJ099831	GVKRRRW 	C42H72N18O8	956.5781	NA	PeJP	NA	NA
+PJ099832	LLLKERW 	C46H76N12O10	956.5808	NA	PeJP	NA	NA
+PJ099833	SPLLLKMR 	C43H80N12O10S	956.5842	NA	PeJP	NA	NA
+PJ099834	VLLLKWW 	C51H76N10O8	956.5848	NA	PeJP	NA	NA
+PJ099835	GTRRRRR 	C36H72N22O9	956.5853	NA	PeJP	NA	NA
+PJ099836	LQKKERR 	C40H76N16O11	956.588	NA	PeJP	NA	NA
+PJ099837	KRRRRW 	C41H72N20O7	956.5893	NA	PeJP	NA	NA
+PJ099838	VVLLKKEE 	C44H80N10O13	956.5907	NA	PeJP	NA	NA
+PJ099839	TLLLRRW 	C45H76N14O9	956.592	NA	PeJP	NA	NA
+PJ099840	PLLLLLEF 	C49H80N8O11	956.5947	NA	PeJP	NA	NA
+PJ099841	GVLLLMRR 	C42H80N14O9S	956.5954	NA	PeJP	NA	NA
+PJ099842	LLLLLLEM 	C46H84N8O11S	956.5981	NA	PeJP	NA	NA
+PJ099843	VDKKRRR 	C39H76N18O10	956.5992	NA	PeJP	NA	NA
+PJ099844	SVLLLKER 	C43H80N12O12	956.6019	NA	PeJP	NA	NA
+PJ099845	ALKKRRW 	C44H76N16O8	956.6032	NA	PeJP	NA	NA
+PJ099846	PLLFRRR 	C44H76N16O8	956.6033	NA	PeJP	NA	NA
+PJ099847	ATLLLLKW 	C48H80N10O10	956.6059	NA	PeJP	NA	NA
+PJ099848	LLLMRRR 	C41H80N16O8S	956.6066	NA	PeJP	NA	NA
+PJ099849	VLLLLQKM 	C45H84N10O10S	956.6093	NA	PeJP	NA	NA
+PJ099850	SVKRRRR 	C38H76N20O9	956.6105	NA	PeJP	NA	NA
+PJ099851	SSLLLLRR 	C42H80N14O11	956.6131	NA	PeJP	NA	NA
+PJ099852	GAATLLKKR 	C42H80N14O11	956.6132	NA	PeJP	NA	NA
+PJ099853	AALLKKKW 	C47H80N12O9	956.6172	NA	PeJP	NA	NA
+PJ099854	ALLLLKMR 	C44H84N12O9S	956.6205	NA	PeJP	NA	NA
+PJ099855	LKKKERR 	C41H80N16O10	956.6244	NA	PeJP	NA	NA
+PJ099856	TLLLLKKE 	C45H84N10O12	956.6271	NA	PeJP	NA	NA
+PJ099857	VLKKKRW 	C46H80N14O8	956.6284	NA	PeJP	NA	NA
+PJ099858	PLLLLLLY 	C50H84N8O10	956.6311	NA	PeJP	NA	NA
+PJ099859	TLKKRRR 	C40H80N18O9	956.6356	NA	PeJP	NA	NA
+PJ099860	TTLLLLKR 	C44H84N12O11	956.6383	NA	PeJP	NA	NA
+PJ099861	PVLLLKKF 	C49H84N10O9	956.6423	NA	PeJP	NA	NA
+PJ099862	VLLLLKKM 	C46H88N10O9S	956.6457	NA	PeJP	NA	NA
+PJ099863	ATLLKKKR 	C43H84N14O10	956.6495	NA	PeJP	NA	NA
+PJ099864	AAKKKKKR 	C42H84N16O9	956.6608	NA	PeJP	NA	NA
+PJ099865	LLLLLLLF 	C51H88N8O9	956.6675	NA	PeJP	NA	NA
+MJ098660	Officigenin 	C60H92O9	956.674134	NA	MeJP	NA	NA
+PJ099866	SLLLKKKK 	C45H88N12O10	956.6747	NA	PeJP	NA	NA
+PJ099867	GLKKKKKK 	C44H88N14O9	956.6859	NA	PeJP	NA	NA
+MJ098661	34-Ethylhuratoxin; 5-Deoxy, 6,7-deepoxy, 6,7,26,27-tetradehydro, 20-hexacosanoyl 	C62H100O7	956.746905	NA	MeJP	NA	NA
+HMDB05466	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H104O6	956.78326	http://www.hmdb.ca/metabolites/HMDB05466	HMDB	NA	NA
+HMDB05466	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H104O6	956.78326	HMDB05466	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05466	TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H104O6	956.783264	NA	HMDB2010	NA	NA
+PJ099868	CCCCCCCCD 	C28H47N9O12S8	957.111	NA	PeJP	NA	NA
+PJ099869	SCCCCCCCM 	C29H51N9O11S8	957.1474	NA	PeJP	NA	NA
+C09817	Benzylsuccinyl-CoA	C32H46N7O19P3S	957.1782	NA	KEGG	NA	NA
+MetaCyc04343	S-benzylsuccinyl-CoA []	C32H46N7O19P3S1	957.178203	NA	metacyc	NA	NA
+MetaCyc04344	(R)-benzylsuccinyl-CoA [benzylsuccinyl-CoA;(R)-2-benzylsuccinyl-CoA;]	C32H46N7O19P3S1	957.178203	NA	metacyc	NA	NA
+HMDB12129	(R)-Benzylsuccinyl-CoA	C32H46N7O19P3S	957.178223	NA	HMDB2010	NA	NA
+PJ099870	ACCCCCCCF 	C33H51N9O10S7	957.1804	NA	PeJP	NA	NA
+PJ099871	GCCCCCDDH 	C31H47N11O14S5	957.1908	NA	PeJP	NA	NA
+PJ099872	GTCCCCCCY 	C33H51N9O12S6	957.1982	NA	PeJP	NA	NA
+PJ099873	SPCCCCCCH 	C32H51N11O11S6	957.2094	NA	PeJP	NA	NA
+PJ099874	SSSCCCCCY 	C33H51N9O14S5	957.2159	NA	PeJP	NA	NA
+PJ099875	PPCCCCCDD 	C33H51N9O14S5	957.216	NA	PeJP	NA	NA
+PJ099876	GCCCNNDDD 	C31H47N11O18S3	957.2263	NA	PeJP	NA	NA
+PJ099877	GSCCCCDMH 	C32H51N11O13S5	957.2272	NA	PeJP	NA	NA
+PJ099878	CCCCCNFY 	C37H51N9O11S5	957.2312	NA	PeJP	NA	NA
+PJ099879	GSCCDDDDE 	C32H47N9O21S2	957.2328	NA	PeJP	NA	NA
+PJ099880	GPCCCDDDM 	C33H51N9O16S4	957.2337	NA	PeJP	NA	NA
+PJ099881	TCCCCCHW 	C36H51N11O10S5	957.2424	NA	PeJP	NA	NA
+PJ099882	SSSCCCCEH 	C32H51N11O15S4	957.2449	NA	PeJP	NA	NA
+PJ099883	GGGGSPCCCCD 	C32H51N11O15S4	957.245	NA	PeJP	NA	NA
+PJ099884	CCCCQMMH 	C33H55N11O10S6	957.2458	NA	PeJP	NA	NA
+PJ099885	SCCDDDDW 	C36H47N9O18S2	957.2481	NA	PeJP	NA	NA
+PJ099886	SCCCCNYY 	C37H51N9O13S4	957.2489	NA	PeJP	NA	NA
+PJ099887	PCCCCDEW 	C37H51N9O13S4	957.249	NA	PeJP	NA	NA
+PJ099888	SSSCDDDDD 	C32H47N9O23S	957.2506	NA	PeJP	NA	NA
+PJ099889	CNDDDDMM 	C33H51N9O18S3	957.2515	NA	PeJP	NA	NA
+PJ099890	SPPCCCCDM 	C34H55N9O13S5	957.2523	NA	PeJP	NA	NA
+PJ099891	GCCCCNNNQ 	C31H51N13O14S4	957.2562	NA	PeJP	NA	NA
+PJ099892	CCCCCMHR 	C32H55N13O9S6	957.257	NA	PeJP	NA	NA
+PJ099893	CCCCNEHF 	C36H51N11O12S4	957.2602	NA	PeJP	NA	NA
+PJ099894	CCCDDDER 	C32H51N11O17S3	957.2627	NA	PeJP	NA	NA
+PJ099895	GSSCCCMMH 	C33H55N11O12S5	957.2636	NA	PeJP	NA	NA
+PJ099896	CNDDDDDF 	C36H47N9O20S	957.2659	NA	PeJP	NA	NA
+PJ099897	GCCDDEMW 	C37H51N9O15S3	957.2667	NA	PeJP	NA	NA
+PJ099898	GSSCDDDEM 	C33H51N9O20S2	957.2692	NA	PeJP	NA	NA
+PJ099899	GSPCCDDMM 	C34H55N9O15S4	957.2701	NA	PeJP	NA	NA
+PJ099900	CCNDDDHH 	C34H47N13O16S2	957.2706	NA	PeJP	NA	NA
+PJ099901	APPCCCCMM 	C35H59N9O10S6	957.271	NA	PeJP	NA	NA
+PJ099902	SSCCCNNNN 	C31H51N13O16S3	957.2739	NA	PeJP	NA	NA
+PJ099903	GGGGGGGGSSCCC 	C31H51N13O16S3	957.274	NA	PeJP	NA	NA
+PJ099904	GPCCCCCNR 	C32H55N13O11S5	957.2748	NA	PeJP	NA	NA
+PJ099905	GCCCCHFW 	C40H51N11O9S4	957.2755	NA	PeJP	NA	NA
+PJ099906	SCCCNNEW 	C36H51N11O14S3	957.2779	NA	PeJP	NA	NA
+PJ099907	GGSCCCNEW 	C36H51N11O14S3	957.278	NA	PeJP	NA	NA
+PJ099908	SSSCCNNDE 	C32H51N11O19S2	957.2804	NA	PeJP	NA	NA
+PJ099909	GGSSSCCNDE 	C32H51N11O19S2	957.2805	NA	PeJP	NA	NA
+PJ099910	SSSTCCCMH 	C33H55N11O14S4	957.2813	NA	PeJP	NA	NA
+PJ099911	CCDDMWW 	C41H51N9O12S3	957.282	NA	PeJP	NA	NA
+PJ099912	CCCCKMMH 	C34H59N11O9S6	957.2822	NA	PeJP	NA	NA
+PJ099913	SNDDDDDY 	C36H47N9O22	957.2836	NA	PeJP	NA	NA
+PJ099914	SSCDDDMW 	C37H51N9O17S2	957.2845	NA	PeJP	NA	NA
+PJ099915	SPCCCEMW 	C38H55N9O12S4	957.2853	NA	PeJP	NA	NA
+PJ099916	GPPCCCCEF 	C38H55N9O12S4	957.2854	NA	PeJP	NA	NA
+PJ099917	SSSSDDDDM 	C33H51N9O22S	957.287	NA	PeJP	NA	NA
+PJ099918	SNDDDMMM 	C34H55N9O17S3	957.2878	NA	PeJP	NA	NA
+PJ099919	GGSCDEEMM 	C34H55N9O17S3	957.2879	NA	PeJP	NA	NA
+PJ099920	CCDEYYY 	C42H51N7O15S2	957.2885	NA	PeJP	NA	NA
+PJ099921	PCCNEMMM 	C35H59N9O12S5	957.2887	NA	PeJP	NA	NA
+PJ099922	GSPCCCDHH 	C35H51N13O13S3	957.2892	NA	PeJP	NA	NA
+PJ099923	CCCNNDMR 	C32H55N13O13S4	957.2926	NA	PeJP	NA	NA
+PJ099924	GSCCCNWW 	C40H51N11O11S3	957.2932	NA	PeJP	NA	NA
+PJ099925	GSSSCCNDW 	C36H51N11O16S2	957.2957	NA	PeJP	NA	NA
+PJ099926	GCCNNMMW 	C37H55N11O11S4	957.2966	NA	PeJP	NA	NA
+PJ099927	GSSSSSCNDD 	C32H51N11O21S	957.2982	NA	PeJP	NA	NA
+PJ099928	SCCDDEMR 	C33H55N11O16S3	957.2991	NA	PeJP	NA	NA
+PJ099929	GPCCDDYW 	C41H51N9O14S2	957.2997	NA	PeJP	NA	NA
+PJ099930	APCCCCCQK 	C34H59N11O11S5	957.2999	NA	PeJP	NA	NA
+PJ099931	PCCCDMMR 	C34H59N11O11S5	957.3	NA	PeJP	NA	NA
+PJ099932	CCCNNQHH 	C34H51N15O12S3	957.3004	NA	PeJP	NA	NA
+PJ099933	PPCCCCFW 	C42H55N9O9S4	957.3006	NA	PeJP	NA	NA
+PJ099934	GNDDDEMY 	C37H51N9O19S	957.3022	NA	PeJP	NA	NA
+PJ099935	GSCDEMMW 	C38H55N9O14S3	957.3031	NA	PeJP	NA	NA
+PJ099936	GPCCMMMW 	C39H59N9O9S5	957.304	NA	PeJP	NA	NA
+PJ099937	GSSSDDEMM 	C34H55N9O19S2	957.3056	NA	PeJP	NA	NA
+PJ099938	NNNDDDDH 	C34H47N13O20	957.3061	NA	PeJP	NA	NA
+PJ099939	GNDEMMMM 	C35H59N9O14S4	957.3065	NA	PeJP	NA	NA
+PJ099940	CCNNNNNY 	C35H51N13O15S2	957.3069	NA	PeJP	NA	NA
+PJ099941	GGGGGGCCNNY 	C35H51N13O15S2	957.307	NA	PeJP	NA	NA
+PJ099942	CCEMFYY 	C43H55N7O12S3	957.3071	NA	PeJP	NA	NA
+PJ099943	GCCCCQRW 	C36H55N13O10S4	957.3078	NA	PeJP	NA	NA
+MJ098662	Pteroylglutamic acid; Homologue (n = 5) 	C39H47N11O18	957.310053	NA	MeJP	NA	NA
+HMDB06487	Pentaglutamyl folate	C39H47N11O18	957.310059	NA	HMDB2010	NA	NA
+HMDB06487	Pentaglutamyl folate	C39H47N11O18	957.31006	http://www.hmdb.ca/metabolites/HMDB06487	HMDB	NA	NA
+HMDB06487	Pentaglutamyl folate	C39H47N11O18	957.31006	HMDB06487	PFEM_hmdb_metabocards_official	NA	NA
+PJ099944	GSSCCCNER 	C32H55N13O15S3	957.3103	NA	PeJP	NA	NA
+PJ099945	GCCNNDFW 	C40H51N11O13S2	957.311	NA	PeJP	NA	NA
+PJ099946	GCDDDDRY 	C36H51N11O18S	957.3135	NA	PeJP	NA	NA
+PJ099947	SSCCNQMW 	C37H55N11O13S3	957.3143	NA	PeJP	NA	NA
+PJ099948	GGGGGGPCCMY 	C37H55N11O13S3	957.3144	NA	PeJP	NA	NA
+PJ099949	SSSSCNNEM 	C33H55N11O18S2	957.3168	NA	PeJP	NA	NA
+PJ099950	NDDDMYW 	C41H51N9O16S	957.3175	NA	PeJP	NA	NA
+PJ099951	GCDDMMMR 	C34H59N11O13S4	957.3177	NA	PeJP	NA	NA
+PJ099952	GSSCCNNHH 	C34H51N15O14S2	957.3182	NA	PeJP	NA	NA
+PJ099953	SCDMMWW 	C42H55N9O11S3	957.3183	NA	PeJP	NA	NA
+PJ099954	TCCEMWW 	C42H55N9O11S3	957.3184	NA	PeJP	NA	NA
+PJ099955	PCCCCHHR 	C35H55N15O9S4	957.3191	NA	PeJP	NA	NA
+PJ099956	SSNDDEEY 	C37H51N9O21	957.32	NA	PeJP	NA	NA
+PJ099957	SSSDDMMW 	C38H55N9O16S2	957.3209	NA	PeJP	NA	NA
+PJ099958	NDMMMMW 	C39H59N9O11S4	957.3217	NA	PeJP	NA	NA
+PJ099959	GSCCEHHW 	C39H51N13O12S2	957.3222	NA	PeJP	NA	NA
+PJ099960	SSSSSDEEM 	C34H55N9O21S	957.3233	NA	PeJP	NA	NA
+PJ099961	SSSSTDDEM 	C34H55N9O21S	957.3234	NA	PeJP	NA	NA
+PJ099962	SSNEEMMM 	C35H59N9O16S3	957.3242	NA	PeJP	NA	NA
+PJ099963	GSSSCDEHH 	C35H51N13O17S	957.3247	NA	PeJP	NA	NA
+PJ099964	SCEMYYY 	C43H55N7O14S2	957.3249	NA	PeJP	NA	NA
+PJ099965	SPCQMMMM 	C36H63N9O11S5	957.3251	NA	PeJP	NA	NA
+PJ099966	SSCCCNRW 	C36H55N13O12S3	957.3256	NA	PeJP	NA	NA
+PJ099967	EEEEEMY 	C39H55N7O19S	957.3274	NA	PeJP	NA	NA
+PJ099968	SSSSCCNDR 	C32H55N13O17S2	957.3281	NA	PeJP	NA	NA
+PJ099969	GSCNNDYW 	C40H51N11O15S	957.3287	NA	PeJP	NA	NA
+PJ099970	SCCNNMMR 	C33H59N13O12S4	957.3289	NA	PeJP	NA	NA
+PJ099971	GGGGSCCMMR 	C33H59N13O12S4	957.329	NA	PeJP	NA	NA
+PJ099972	GCCNMHFF 	C41H55N11O10S3	957.3296	NA	PeJP	NA	NA
+PJ099973	GSSSNNDDY 	C36H51N11O20	957.3312	NA	PeJP	NA	NA
+PJ099974	GGGGGPPDDDD 	C36H51N11O20	957.3313	NA	PeJP	NA	NA
+PJ099975	GSSSSCNMW 	C37H55N11O15S2	957.3321	NA	PeJP	NA	NA
+PJ099976	GCDEYWW 	C45H51N9O13S	957.3327	NA	PeJP	NA	NA
+PJ099977	CCEMMRW 	C38H59N11O10S4	957.333	NA	PeJP	NA	NA
+PJ099978	GSSSSSSNDM 	C33H55N11O20S	957.3346	NA	PeJP	NA	NA
+PJ099979	GSSDDEYW 	C41H51N9O18	957.3352	NA	PeJP	NA	NA
+PJ099980	GGGPDDDYY 	C41H51N9O18	957.3353	NA	PeJP	NA	NA
+PJ099981	SSCDEMMR 	C34H59N11O15S3	957.3355	NA	PeJP	NA	NA
+PJ099982	CNNNNNEH 	C34H51N15O16S	957.3359	NA	PeJP	NA	NA
+PJ099983	GGGGGGCNNEH 	C34H51N15O16S	957.336	NA	PeJP	NA	NA
+PJ099984	GSPCDMYW 	C42H55N9O13S2	957.3361	NA	PeJP	NA	NA
+PJ099985	SPCCMMMR 	C35H63N11O10S5	957.3363	NA	PeJP	NA	NA
+PJ099986	GCCDMHHR 	C35H55N15O11S3	957.3368	NA	PeJP	NA	NA
+PJ099987	ACMMMWW 	C43H59N9O8S4	957.337	NA	PeJP	NA	NA
+PJ099988	SCCHHWW 	C43H51N13O9S2	957.3374	NA	PeJP	NA	NA
+PJ099989	GSNEEEMY 	C38H55N9O18S	957.3386	NA	PeJP	NA	NA
+PJ099990	GDDYYYY 	C46H51N7O16	957.3393	NA	PeJP	NA	NA
+PJ099991	GSSEMMMW 	C39H59N9O13S3	957.3395	NA	PeJP	NA	NA
+PJ099992	SSSCDHHW 	C39H51N13O14S	957.34	NA	PeJP	NA	NA
+PJ099993	PCCFYYY 	C47H55N7O11S2	957.3401	NA	PeJP	NA	NA
+PJ099994	SCCCCQRR 	C32H59N15O11S4	957.3402	NA	PeJP	NA	NA
+PJ099995	MMMMMHF 	C40H63N9O8S5	957.3404	NA	PeJP	NA	NA
+PJ099996	CNMMHHW 	C40H55N13O9S3	957.3408	NA	PeJP	NA	NA
+PJ099997	GSSSTEEMM 	C35H59N9O18S2	957.342	NA	PeJP	NA	NA
+PJ099998	GDDDDEHR 	C35H51N13O19	957.3425	NA	PeJP	NA	NA
+PJ099999	SVCQEMMM 	C36H63N9O13S4	957.3428	NA	PeJP	NA	NA
+PJ100000	GTQEMMMM 	C36H63N9O13S4	957.3429	NA	PeJP	NA	NA
+PJ100001	GCCNNERY 	C36H55N13O14S2	957.3433	NA	PeJP	NA	NA
+PJ100002	GGGGGGPCEMH 	C36H55N13O14S2	957.3434	NA	PeJP	NA	NA
+PJ100003	GMMMYYY 	C44H59N7O11S3	957.3435	NA	PeJP	NA	NA
+PJ100004	PCDDHWW 	C44H51N11O12S	957.344	NA	PeJP	NA	NA
+PJ100005	GCCCCKRW 	C37H59N13O9S4	957.3442	NA	PeJP	NA	NA
+PJ100006	GCCQHHHH 	C37H51N17O10S2	957.3447	NA	PeJP	NA	NA
+PJ100007	NDEEEHW 	C40H51N11O17	957.3465	NA	PeJP	NA	NA
+PJ100008	GSSSCCQMR 	C33H59N13O14S3	957.3467	NA	PeJP	NA	NA
+PJ100009	CNNQMYW 	C41H55N11O12S2	957.3473	NA	PeJP	NA	NA
+PJ100010	GGGGCQMYW 	C41H55N11O12S2	957.3474	NA	PeJP	NA	NA
+PJ100011	CDYWWW 	C49H51N9O10S	957.348	NA	PeJP	NA	NA
+PJ100012	SSSSSSCQW 	C37H55N11O17S	957.3498	NA	PeJP	NA	NA
+PJ100013	GSDDDMRY 	C37H55N11O17S	957.3499	NA	PeJP	NA	NA
+PJ100014	SSDDYWW 	C45H51N9O15	957.3505	NA	PeJP	NA	NA
+PJ100015	SSCCNKMW 	C38H59N11O12S3	957.3507	NA	PeJP	NA	NA
+PJ100016	GCNNNNHW 	C38H51N15O13S	957.3512	NA	PeJP	NA	NA
+PJ100017	PTCCYWW 	C46H55N9O10S2	957.3514	NA	PeJP	NA	NA
+PJ100018	SSSSSSSSNE 	C33H55N11O22	957.3523	NA	PeJP	NA	NA
+PJ100019	SSSSSNQMM 	C34H59N11O17S2	957.3532	NA	PeJP	NA	NA
+PJ100020	GSSNNNNDH 	C34H51N15O18	957.3537	NA	PeJP	NA	NA
+PJ100021	SNEEMYW 	C42H55N9O15S	957.3539	NA	PeJP	NA	NA
+PJ100022	GSDMMMMR 	C35H63N11O12S4	957.3541	NA	PeJP	NA	NA
+PJ100023	SSCCEHHR 	C35H55N15O13S2	957.3546	NA	PeJP	NA	NA
+PJ100024	SSMMMWW 	C43H59N9O10S3	957.3547	NA	PeJP	NA	NA
+PJ100025	GGPPCCMFF 	C43H59N9O10S3	957.3548	NA	PeJP	NA	NA
+PJ100026	CNDHHFW 	C43H51N13O11S	957.3552	NA	PeJP	NA	NA
+PJ100027	SSSQEEEY 	C38H55N9O20	957.3564	NA	PeJP	NA	NA
+PJ100028	SSSTEMMW 	C39H59N9O15S2	957.3572	NA	PeJP	NA	NA
+PJ100029	GGAAEEMMY 	C39H59N9O15S2	957.3573	NA	PeJP	NA	NA
+PJ100030	DDDDHRW 	C39H51N13O16	957.3577	NA	PeJP	NA	NA
+PJ100031	SPCYYYY 	C47H55N7O13S	957.3579	NA	PeJP	NA	NA
+PJ100032	TQMMMMW 	C40H63N9O10S4	957.3581	NA	PeJP	NA	NA
+PJ100033	CCNNRYW 	C40H55N13O11S2	957.3586	NA	PeJP	NA	NA
+PJ100034	SSSSTTEEM 	C35H59N9O20S	957.3597	NA	PeJP	NA	NA
+PJ100035	PEEEEYY 	C43H55N7O18	957.3604	NA	PeJP	NA	NA
+PJ100036	SSDKEMMM 	C36H63N9O15S3	957.3606	NA	PeJP	NA	NA
+PJ100037	SSCNNDRY 	C36H55N13O16S	957.3611	NA	PeJP	NA	NA
+PJ100038	STMMYYY 	C44H59N7O13S2	957.3612	NA	PeJP	NA	NA
+PJ100039	GVQMMMMM 	C37H67N9O10S5	957.3615	NA	PeJP	NA	NA
+PJ100040	GDEEHWW 	C44H51N11O14	957.3617	NA	PeJP	NA	NA
+PJ100041	GCCNQMFR 	C37H59N13O11S3	957.362	NA	PeJP	NA	NA
+PJ100042	SSCNHHHH 	C37H51N17O12S	957.3624	NA	PeJP	NA	NA
+PJ100043	SSSSSCNMR 	C33H59N13O16S2	957.3644	NA	PeJP	NA	NA
+PJ100044	GGSSSSSCMR 	C33H59N13O16S2	957.3645	NA	PeJP	NA	NA
+PJ100045	SCDERYW 	C41H55N11O14S	957.3651	NA	PeJP	NA	NA
+PJ100046	SCCCQKMR 	C34H63N13O11S4	957.3653	NA	PeJP	NA	NA
+PJ100047	PCCMRYW 	C42H59N11O9S3	957.366	NA	PeJP	NA	NA
+PJ100048	CMFWWW 	C50H55N9O7S2	957.3666	NA	PeJP	NA	NA
+PJ100049	GSSSSSSSSW 	C37H55N11O19	957.3676	NA	PeJP	NA	NA
+PJ100050	GSSSTCCKW 	C38H59N11O14S2	957.3685	NA	PeJP	NA	NA
+PJ100051	SPNDDHHH 	C38H51N15O15	957.369	NA	PeJP	NA	NA
+PJ100052	GSEMYWW 	C46H55N9O12S	957.3691	NA	PeJP	NA	NA
+PJ100053	TCMMMRW 	C39H63N11O9S4	957.3693	NA	PeJP	NA	NA
+PJ100054	GCCCKKMW 	C39H63N11O9S4	957.3694	NA	PeJP	NA	NA
+PJ100055	EMMHHHH 	C39H55N15O10S2	957.3698	NA	PeJP	NA	NA
+PJ100056	GSSSSSSTQM 	C34H59N11O19S	957.371	NA	PeJP	NA	NA
+PJ100057	GSSTEEYW 	C42H55N9O17	957.3716	NA	PeJP	NA	NA
+PJ100058	SSSEMMMR 	C35H63N11O14S3	957.3718	NA	PeJP	NA	NA
+PJ100059	GGGSSTCKMM 	C35H63N11O14S3	957.3719	NA	PeJP	NA	NA
+PJ100060	GNNDDMHR 	C35H55N15O15S	957.3723	NA	PeJP	NA	NA
+PJ100061	GGGGGGGGGGTMH 	C35H55N15O15S	957.3724	NA	PeJP	NA	NA
+PJ100062	AQEMMYW 	C43H59N9O12S2	957.3725	NA	PeJP	NA	NA
+PJ100063	QMMMMMR 	C36H67N11O9S5	957.3727	NA	PeJP	NA	NA
+PJ100064	SNNDHWW 	C43H51N13O13	957.373	NA	PeJP	NA	NA
+PJ100065	GCCCNFRR 	C36H59N15O10S3	957.3732	NA	PeJP	NA	NA
+PJ100066	CMHHHFF 	C44H55N13O8S2	957.3738	NA	PeJP	NA	NA
+PJ100067	GSDKEEMY 	C39H59N9O17S	957.375	NA	PeJP	NA	NA
+PJ100068	GTEYYYY 	C47H55N7O15	957.3756	NA	PeJP	NA	NA
+PJ100069	GTTTMMMW 	C40H63N9O12S3	957.3759	NA	PeJP	NA	NA
+PJ100070	SSSSMHHW 	C40H55N13O13S	957.3763	NA	PeJP	NA	NA
+PJ100071	GGGGQEMHW 	C40H55N13O13S	957.3764	NA	PeJP	NA	NA
+PJ100072	GMMFFYY 	C48H59N7O10S2	957.3765	NA	PeJP	NA	NA
+PJ100073	SCCCCKRR 	C33H63N15O10S4	957.3766	NA	PeJP	NA	NA
+PJ100074	DEHWWW 	C48H51N11O11	957.377	NA	PeJP	NA	NA
+PJ100075	SSSSSLEMM 	C36H63N9O17S2	957.3784	NA	PeJP	NA	NA
+PJ100076	ATDDDEHR 	C36H55N13O18	957.3788	NA	PeJP	NA	NA
+PJ100077	GSDEEEHR 	C36H55N13O18	957.3789	NA	PeJP	NA	NA
+PJ100078	GTKEMMMM 	C37H67N9O12S4	957.3792	NA	PeJP	NA	NA
+PJ100079	CDDMRRY 	C37H59N13O13S2	957.3797	NA	PeJP	NA	NA
+PJ100080	GNNNEHHH 	C37H51N17O14	957.3802	NA	PeJP	NA	NA
+PJ100081	SPDMHWW 	C45H55N11O11S	957.3804	NA	PeJP	NA	NA
+PJ100082	GCCKHHHH 	C38H55N17O9S2	957.3811	NA	PeJP	NA	NA
+PJ100083	GSSSSSSTCR 	C33H59N13O18S	957.3822	NA	PeJP	NA	NA
+PJ100084	SSSSNQYW 	C41H55N11O16	957.3828	NA	PeJP	NA	NA
+PJ100085	GGSSSSQYW 	C41H55N11O16	957.3829	NA	PeJP	NA	NA
+PJ100086	GSSSCCKMR 	C34H63N13O13S3	957.3831	NA	PeJP	NA	NA
+PJ100087	SCNNNNHR 	C34H55N17O14S	957.3835	NA	PeJP	NA	NA
+PJ100088	GGSCNNNHR 	C34H55N17O14S	957.3836	NA	PeJP	NA	NA
+PJ100089	GDMMRYW 	C42H59N11O11S2	957.3837	NA	PeJP	NA	NA
+PJ100090	GGGGPPPCMW 	C42H59N11O11S2	957.3838	NA	PeJP	NA	NA
+PJ100091	CMMMMRR 	C35H67N13O8S5	957.384	NA	PeJP	NA	NA
+PJ100092	DEHHHHF 	C42H51N15O12	957.3842	NA	PeJP	NA	NA
+PJ100093	SMYWWW 	C50H55N9O9S	957.3844	NA	PeJP	NA	NA
+PJ100094	SSSSSSCKW 	C38H59N11O16S	957.3862	NA	PeJP	NA	NA
+PJ100095	GGGLEEEMH 	C38H59N11O16S	957.3863	NA	PeJP	NA	NA
+PJ100096	SSTEYWW 	C46H55N9O14	957.3869	NA	PeJP	NA	NA
+PJ100097	STCCCKKW 	C39H63N11O11S3	957.3871	NA	PeJP	NA	NA
+PJ100098	CNNEHRW 	C39H55N15O12S	957.3876	NA	PeJP	NA	NA
+PJ100099	AVCMYWW 	C47H59N9O9S2	957.3877	NA	PeJP	NA	NA
+PJ100100	AAMMYWW 	C47H59N9O9S2	957.3878	NA	PeJP	NA	NA
+PJ100101	SSSSSSSSDK 	C34H59N11O21	957.3887	NA	PeJP	NA	NA
+PJ100102	SSSSSNKMM 	C35H63N11O16S2	957.3896	NA	PeJP	NA	NA
+PJ100103	SSNNDEHR 	C35H55N15O17	957.3901	NA	PeJP	NA	NA
+PJ100104	TTQEMYW 	C43H59N9O14S	957.3902	NA	PeJP	NA	NA
+PJ100105	SDKEMYW 	C43H59N9O14S	957.3903	NA	PeJP	NA	NA
+PJ100106	GTTMMMMR 	C36H67N11O11S4	957.3905	NA	PeJP	NA	NA
+PJ100107	TYYYYW 	C51H55N7O12	957.3909	NA	PeJP	NA	NA
+PJ100108	GGGSCCRRY 	C36H59N15O12S2	957.391	NA	PeJP	NA	NA
+PJ100109	PCKMMYW 	C44H63N9O9S3	957.3911	NA	PeJP	NA	NA
+PJ100110	GNQMHWW 	C44H55N13O10S	957.3916	NA	PeJP	NA	NA
+PJ100111	SSSKEEEY 	C39H59N9O19	957.3927	NA	PeJP	NA	NA
+PJ100112	GSSSSLEEY 	C39H59N9O19	957.3928	NA	PeJP	NA	NA
+PJ100113	STTTTMMW 	C40H63N9O14S2	957.3936	NA	PeJP	NA	NA
+PJ100114	SDEEHRW 	C40H55N13O15	957.3941	NA	PeJP	NA	NA
+PJ100115	GVMYYYY 	C48H59N7O12S	957.3943	NA	PeJP	NA	NA
+PJ100116	TKMMMMW 	C41H67N9O9S4	957.3945	NA	PeJP	NA	NA
+PJ100117	PCEMHRW 	C41H59N13O10S2	957.395	NA	PeJP	NA	NA
+PJ100118	NNNHHHW 	C41H51N17O11	957.3954	NA	PeJP	NA	NA
+PJ100119	GGGGNHHHW 	C41H51N17O11	957.3955	NA	PeJP	NA	NA
+PJ100120	SSTTTTTEM 	C36H63N9O19S	957.3961	NA	PeJP	NA	NA
+PJ100121	LEEEEFY 	C44H59N7O17	957.3968	NA	PeJP	NA	NA
+PJ100122	STTKEMMM 	C37H67N9O14S3	957.397	NA	PeJP	NA	NA
+PJ100123	SSSNNMRY 	C37H59N13O15S	957.3975	NA	PeJP	NA	NA
+PJ100124	GVKMMMMM 	C38H71N9O9S5	957.3979	NA	PeJP	NA	NA
+PJ100125	ATEEHWW 	C45H55N11O13	957.3981	NA	PeJP	NA	NA
+PJ100126	CDMMFRR 	C38H63N13O10S3	957.3983	NA	PeJP	NA	NA
+PJ100127	GGGCCKMFR 	C38H63N13O10S3	957.3984	NA	PeJP	NA	NA
+PJ100128	GPCDHHHR 	C38H55N17O11S	957.3988	NA	PeJP	NA	NA
+PJ100129	APMMHWW 	C46H59N11O8S2	957.399	NA	PeJP	NA	NA
+PJ100130	SSSSSSSSSR 	C33H59N13O20	957.4	NA	PeJP	NA	NA
+PJ100131	SSSSTCCKR 	C34H63N13O15S2	957.4008	NA	PeJP	NA	NA
+PJ100132	SSEMRYW 	C42H59N11O13S	957.4015	NA	PeJP	NA	NA
+PJ100133	SCCCKKMR 	C35H67N13O10S4	957.4017	NA	PeJP	NA	NA
+PJ100134	GSPYYWW 	C50H55N9O11	957.4021	NA	PeJP	NA	NA
+PJ100135	GMMMFRW 	C43H63N11O8S3	957.4024	NA	PeJP	NA	NA
+PJ100136	GCNHRWW 	C43H55N15O9S	957.4028	NA	PeJP	NA	NA
+PJ100137	SSSTEERY 	C38H59N11O18	957.404	NA	PeJP	NA	NA
+PJ100138	SPTTCMRY 	C39H63N11O13S2	957.4048	NA	PeJP	NA	NA
+PJ100139	TQEMMRY 	C39H63N11O13S2	957.4049	NA	PeJP	NA	NA
+PJ100140	GSSNDHRW 	C39H55N15O14	957.4053	NA	PeJP	NA	NA
+PJ100141	GGGGGGGQQHF 	C39H55N15O14	957.4054	NA	PeJP	NA	NA
+PJ100142	ATTMYWW 	C47H59N9O11S	957.4055	NA	PeJP	NA	NA
+PJ100143	CQMHHFR 	C40H59N15O9S2	957.4062	NA	PeJP	NA	NA
+PJ100144	GSSSSSSTKM 	C35H63N11O18S	957.4074	NA	PeJP	NA	NA
+PJ100145	SSSSLEYW 	C43H59N9O16	957.408	NA	PeJP	NA	NA
+PJ100146	STTTMMMR 	C36H67N11O13S3	957.4082	NA	PeJP	NA	NA
+PJ100147	DDEMHRR 	C36H59N15O14S	957.4087	NA	PeJP	NA	NA
+PJ100148	AKEMMYW 	C44H63N9O11S2	957.4089	NA	PeJP	NA	NA
+PJ100149	KMMMMMR 	C37H71N11O8S5	957.4091	NA	PeJP	NA	NA
+PJ100150	SSQQHWW 	C44H55N13O12	957.4093	NA	PeJP	NA	NA
+PJ100151	GGSTQHWW 	C44H55N13O12	957.4094	NA	PeJP	NA	NA
+PJ100152	GMFFFFY 	C52H59N7O9S	957.4095	NA	PeJP	NA	NA
+PJ100153	GTTKEEMY 	C40H63N9O16S	957.4114	NA	PeJP	NA	NA
+PJ100154	SSLYYYY 	C48H59N7O14	957.412	NA	PeJP	NA	NA
+PJ100155	GPTKMMMY 	C41H67N9O11S3	957.4123	NA	PeJP	NA	NA
+PJ100156	AEEMHRW 	C41H59N13O12S	957.4127	NA	PeJP	NA	NA
+PJ100157	GGGGGAAPMHF 	C41H59N13O12S	957.4128	NA	PeJP	NA	NA
+PJ100158	GPEHFWW 	C49H55N11O10	957.4134	NA	PeJP	NA	NA
+PJ100159	SSSTTTLMM 	C37H67N9O16S2	957.4147	NA	PeJP	NA	NA
+PJ100160	GSSSSSQRY 	C37H59N13O17	957.4152	NA	PeJP	NA	NA
+PJ100161	GGGGAPEEER 	C37H59N13O17	957.4153	NA	PeJP	NA	NA
+PJ100162	SSLKMMMM 	C38H71N9O11S4	957.4156	NA	PeJP	NA	NA
+PJ100163	SDMMRRY 	C38H63N13O12S2	957.4161	NA	PeJP	NA	NA
+PJ100164	NEEHHHR 	C38H55N17O13	957.4166	NA	PeJP	NA	NA
+PJ100165	AVEMHWW 	C46H59N11O10S	957.4167	NA	PeJP	NA	NA
+PJ100166	GLEMHWW 	C46H59N11O10S	957.4168	NA	PeJP	NA	NA
+PJ100167	AFYWWW 	C54H55N9O8	957.4174	NA	PeJP	NA	NA
+PJ100168	SSSSNKYW 	C42H59N11O15	957.4192	NA	PeJP	NA	NA
+PJ100169	TKEEEHW 	C42H59N11O15	957.4193	NA	PeJP	NA	NA
+PJ100170	GSCNEHRR 	C35H59N17O13S	957.4199	NA	PeJP	NA	NA
+PJ100171	GGGSCEHRR 	C35H59N17O13S	957.42	NA	PeJP	NA	NA
+PJ100172	ATMMRYW 	C43H63N11O10S2	957.4201	NA	PeJP	NA	NA
+PJ100173	VNEHHHW 	C43H55N15O11	957.4206	NA	PeJP	NA	NA
+PJ100174	AAMFFWW 	C51H59N9O8S	957.4208	NA	PeJP	NA	NA
+PJ100175	GTTTEMRY 	C39H63N11O15S	957.4226	NA	PeJP	NA	NA
+PJ100176	TTTTYWW 	C47H59N9O13	957.4233	NA	PeJP	NA	NA
+PJ100177	VQMMMRY 	C40H67N11O10S3	957.4235	NA	PeJP	NA	NA
+PJ100178	SNQMHRW 	C40H59N15O11S	957.4239	NA	PeJP	NA	NA
+PJ100179	GGSQMHRW 	C40H59N15O11S	957.424	NA	PeJP	NA	NA
+PJ100180	PCKMFFW 	C48H63N9O8S2	957.4241	NA	PeJP	NA	NA
+PJ100181	GQHHFFW 	C48H55N13O9	957.4246	NA	PeJP	NA	NA
+PJ100182	SSSSSSSTTK 	C35H63N11O20	957.4251	NA	PeJP	NA	NA
+PJ100183	SSSSTCKKM 	C36H67N11O15S2	957.426	NA	PeJP	NA	NA
+PJ100184	GNQQQQQQ 	C36H59N15O16	957.4264	NA	PeJP	NA	NA
+PJ100185	GPNDDERR 	C36H59N15O16	957.4265	NA	PeJP	NA	NA
+PJ100186	TTKEMYW 	C44H63N9O13S	957.4266	NA	PeJP	NA	NA
+PJ100187	GPPLEEMW 	C44H63N9O13S	957.4267	NA	PeJP	NA	NA
+PJ100188	SCCKKKMM 	C37H71N11O10S4	957.4269	NA	PeJP	NA	NA
+PJ100189	GVFFYYY 	C52H59N7O11	957.4273	NA	PeJP	NA	NA
+PJ100190	GGGGGVMMHR 	C37H63N15O11S2	957.4274	NA	PeJP	NA	NA
+PJ100191	CLKMMFW 	C45H67N9O8S3	957.4275	NA	PeJP	NA	NA
+PJ100192	GSNNHHHR 	C37H55N19O12	957.4278	NA	PeJP	NA	NA
+PJ100193	PPCNRWW 	C45H59N13O9S	957.428	NA	PeJP	NA	NA
+PJ100194	PHFWWW 	C53H55N11O7	957.4286	NA	PeJP	NA	NA
+PJ100195	STTTKEEY 	C40H63N9O18	957.4291	NA	PeJP	NA	NA
+PJ100196	PPTKEEEE 	C40H63N9O18	957.4292	NA	PeJP	NA	NA
+PJ100197	KKEEMMY 	C41H67N9O13S2	957.43	NA	PeJP	NA	NA
+PJ100198	TTEEHRW 	C41H59N13O14	957.4305	NA	PeJP	NA	NA
+PJ100199	PTMMHRW 	C42H63N13O9S2	957.4314	NA	PeJP	NA	NA
+PJ100200	GEHHHRW 	C42H55N17O10	957.4318	NA	PeJP	NA	NA
+PJ100201	LMHWWW 	C50H59N11O7S	957.432	NA	PeJP	NA	NA
+PJ100202	TTTTTTTTM 	C37H67N9O18S	957.4325	NA	PeJP	NA	NA
+PJ100203	LLEEEYY 	C45H63N7O16	957.4332	NA	PeJP	NA	NA
+PJ100204	SSSCQKRY 	C38H63N13O14S	957.4338	NA	PeJP	NA	NA
+PJ100205	GGSSTCKRY 	C38H63N13O14S	957.4339	NA	PeJP	NA	NA
+PJ100206	STLEHWW 	C46H59N11O12	957.4345	NA	PeJP	NA	NA
+PJ100207	AMMMRRY 	C39H67N13O9S3	957.4347	NA	PeJP	NA	NA
+PJ100208	SCNHRRW 	C39H59N17O10S	957.4352	NA	PeJP	NA	NA
+PJ100209	GVHHHWW 	C47H55N15O8	957.4359	NA	PeJP	NA	NA
+PJ100210	SSSNDHRR 	C35H59N17O15	957.4377	NA	PeJP	NA	NA
+PJ100211	TTTMRYW 	C43H63N11O12S	957.4379	NA	PeJP	NA	NA
+PJ100212	LQYYWW 	C51H59N9O10	957.4385	NA	PeJP	NA	NA
+PJ100213	NNMMHRR 	C36H63N17O10S2	957.4386	NA	PeJP	NA	NA
+PJ100214	LMHHHHF 	C44H59N15O8S	957.4392	NA	PeJP	NA	NA
+PJ100215	STTTTERY 	C39H63N11O17	957.4404	NA	PeJP	NA	NA
+PJ100216	TKEMMRY 	C40H67N11O12S2	957.4412	NA	PeJP	NA	NA
+PJ100217	GGGSKKMMY 	C40H67N11O12S2	957.4413	NA	PeJP	NA	NA
+PJ100218	PNDDRRW 	C40H59N15O13	957.4417	NA	PeJP	NA	NA
+PJ100219	GGGGGGGGAKHF 	C40H59N15O13	957.4418	NA	PeJP	NA	NA
+PJ100220	PPLEMWW 	C48H63N9O10S	957.4419	NA	PeJP	NA	NA
+PJ100221	CKMHHFR 	C41H63N15O8S2	957.4426	NA	PeJP	NA	NA
+PJ100222	SSTTTLYW 	C44H63N9O15	957.4444	NA	PeJP	NA	NA
+PJ100223	TEEMHRR 	C37H63N15O13S	957.4451	NA	PeJP	NA	NA
+PJ100224	SLKMMYW 	C45H67N9O10S2	957.4453	NA	PeJP	NA	NA
+PJ100225	GPQERWW 	C45H59N13O11	957.4457	NA	PeJP	NA	NA
+PJ100226	GGAPERWW 	C45H59N13O11	957.4458	NA	PeJP	NA	NA
+PJ100227	PMMMHRR 	C38H67N15O8S3	957.446	NA	PeJP	NA	NA
+7659	ACE inhibitor from as2-CN (92-98)	FPQYLQY	957.446	antioxidative	Inhouse_peptide	NA	peptide
+PJ100228	HHHRWW 	C46H55N17O7	957.4471	NA	PeJP	NA	NA
+PJ100229	SSTLKEMY 	C41H67N9O15S	957.4478	NA	PeJP	NA	NA
+PJ100230	AALKMMMY 	C42H71N9O10S3	957.4486	NA	PeJP	NA	NA
+PJ100231	AAPPPLMMM 	C42H71N9O10S3	957.4487	NA	PeJP	NA	NA
+PJ100232	GNNNNNRR 	C34H59N19O14	957.4489	NA	PeJP	NA	NA
+PJ100233	GGGGGGGNNRR 	C34H59N19O14	957.449	NA	PeJP	NA	NA
+PJ100234	SLEMHRW 	C42H63N13O11S	957.4491	NA	PeJP	NA	NA
+PJ100235	GPVQWWW 	C50H59N11O9	957.4498	NA	PeJP	NA	NA
+PJ100236	GSSSSSKRY 	C38H63N13O16	957.4516	NA	PeJP	NA	NA
+PJ100237	GGGGGGGGGALLE 	C38H63N13O16	957.4517	NA	PeJP	NA	NA
+PJ100238	TTMMRRY 	C39H67N13O11S2	957.4525	NA	PeJP	NA	NA
+PJ100239	NNDHFRR 	C39H59N17O12	957.4529	NA	PeJP	NA	NA
+PJ100240	GGNDHFRR 	C39H59N17O12	957.453	NA	PeJP	NA	NA
+PJ100241	SVLMHWW 	C47H63N11O9S	957.4531	NA	PeJP	NA	NA
+PJ100242	PLEEERW 	C43H63N11O14	957.4556	NA	PeJP	NA	NA
+PJ100243	GGGPVKEEW 	C43H63N11O14	957.4557	NA	PeJP	NA	NA
+PJ100244	GSSQMHRR 	C36H63N17O12S	957.4563	NA	PeJP	NA	NA
+PJ100245	GGGGGGGPMRR 	C36H63N17O12S	957.4564	NA	PeJP	NA	NA
+PJ100246	CCKKKYW 	C44H67N11O9S2	957.4565	NA	PeJP	NA	NA
+PJ100247	GQQHFRW 	C44H59N15O10	957.457	NA	PeJP	NA	NA
+PJ100248	SSTTLMRY 	C40H67N11O14S	957.459	NA	PeJP	NA	NA
+PJ100249	AVKEYYW 	C48H63N9O12	957.4596	NA	PeJP	NA	NA
+PJ100250	PVLEEWW 	C48H63N9O12	957.4597	NA	PeJP	NA	NA
+PJ100251	VKMMMRY 	C41H71N11O9S3	957.4599	NA	PeJP	NA	NA
+PJ100252	SNKMHRW 	C41H63N15O10S	957.4603	NA	PeJP	NA	NA
+PJ100253	GSPPCRRW 	C41H63N15O10S	957.4604	NA	PeJP	NA	NA
+PJ100254	PQRWWW 	C49H59N13O8	957.461	NA	PeJP	NA	NA
+PJ100255	GPTDQERR 	C37H63N15O15	957.4628	NA	PeJP	NA	NA
+PJ100256	GSPQEERR 	C37H63N15O15	957.4629	NA	PeJP	NA	NA
+PJ100257	SPPVLEMW 	C45H67N9O12S	957.463	NA	PeJP	NA	NA
+PJ100258	VEMMHRR 	C38H67N15O10S2	957.4637	NA	PeJP	NA	NA
+PJ100259	SEHHHRR 	C38H59N19O11	957.4642	NA	PeJP	NA	NA
+PJ100260	ACKKHWW 	C46H63N13O8S	957.4644	NA	PeJP	NA	NA
+PJ100261	SSSSTTLLY 	C41H67N9O17	957.4655	NA	PeJP	NA	NA
+PJ100262	ATTLKMMY 	C42H71N9O12S2	957.4664	NA	PeJP	NA	NA
+PJ100263	PNKEERW 	C42H63N13O13	957.4669	NA	PeJP	NA	NA
+PJ100264	GSSCHRRR 	C35H63N19O11S	957.4676	NA	PeJP	NA	NA
+PJ100265	VVMMHRW 	C43H67N13O8S2	957.4677	NA	PeJP	NA	NA
+PJ100266	SVHHHRW 	C43H59N17O9	957.4682	NA	PeJP	NA	NA
+PJ100267	SSSCKKRY 	C39H67N13O13S	957.4702	NA	PeJP	NA	NA
+PJ100268	GGSPPKEMR 	C39H67N13O13S	957.4703	NA	PeJP	NA	NA
+PJ100269	PVNKEWW 	C47H63N11O11	957.4709	NA	PeJP	NA	NA
+PJ100270	LQMHHHR 	C40H63N17O9S	957.4716	NA	PeJP	NA	NA
+PJ100271	GSPDDRRR 	C36H63N17O14	957.4741	NA	PeJP	NA	NA
+PJ100272	GTTLLMHW 	C44H67N11O11S	957.4743	NA	PeJP	NA	NA
+PJ100273	LKYYWW 	C52H63N9O9	957.4749	NA	PeJP	NA	NA
+PJ100274	APPCCRRR 	C37H67N17O9S2	957.475	NA	PeJP	NA	NA
+PJ100275	SPTTTTTLH 	C40H67N11O16	957.4767	NA	PeJP	NA	NA
+PJ100276	GSSSTTKKY 	C40H67N11O16	957.4768	NA	PeJP	NA	NA
+PJ100277	GTCKKKMY 	C41H71N11O11S2	957.4776	NA	PeJP	NA	NA
+PJ100278	GGGAPPLKMM 	C41H71N11O11S2	957.4777	NA	PeJP	NA	NA
+PJ100279	SPQERRW 	C41H63N15O12	957.4781	NA	PeJP	NA	NA
+PJ100280	ALKMFYW 	C49H67N9O9S	957.4783	NA	PeJP	NA	NA
+MJ098663	Liposidomycin; Liposidomycin A-I, 7,8,10,11-Tetrahydro, desulfo 	C44H71N5O18	957.47941	NA	MeJP	NA	NA
+MJ098664	Liposidomycin; Liposidomycin L-I, Desulfo 	C44H71N5O18	957.47941	NA	MeJP	NA	NA
+PJ100281	APTLLEEW 	C45H67N9O14	957.4808	NA	PeJP	NA	NA
+PJ100282	AAPQEMRR 	C38H67N15O12S	957.4815	NA	PeJP	NA	NA
+PJ100283	APPLLMMW 	C46H71N9O9S2	957.4817	NA	PeJP	NA	NA
+PJ100284	GPKERWW 	C46H63N13O10	957.4821	NA	PeJP	NA	NA
+PJ100285	CLHHHRR 	C39H63N19O8S	957.4828	NA	PeJP	NA	NA
+PJ100286	TTTTLKMY 	C42H71N9O14S	957.4841	NA	PeJP	NA	NA
+PJ100287	PVLLQEEM 	C42H71N9O14S	957.4842	NA	PeJP	NA	NA
+PJ100288	NNNERRR 	C35H63N19O13	957.4853	NA	PeJP	NA	NA
+PJ100289	GSPPKMRW 	C43H67N13O10S	957.4855	NA	PeJP	NA	NA
+PJ100290	AVLHFWW 	C51H63N11O8	957.4861	NA	PeJP	NA	NA
+PJ100291	GPVKWWW 	C51H63N11O8	957.4862	NA	PeJP	NA	NA
+PJ100292	TTTTLEHR 	C39H67N13O15	957.488	NA	PeJP	NA	NA
+PJ100293	GTLLMMHR 	C40H71N13O10S2	957.4889	NA	PeJP	NA	NA
+PJ100294	GQQQRRW 	C40H63N17O11	957.4893	NA	PeJP	NA	NA
+PJ100295	GGGAAQRRW 	C40H63N17O11	957.4894	NA	PeJP	NA	NA
+PJ100296	PLKMHFW 	C48H67N11O8S	957.4895	NA	PeJP	NA	NA
+PJ100297	STTTLLHW 	C44H67N11O13	957.492	NA	PeJP	NA	NA
+PJ100298	PNEMRRR 	C37H67N17O11S	957.4927	NA	PeJP	NA	NA
+PJ100299	LLKMMHW 	C45H71N11O8S2	957.4929	NA	PeJP	NA	NA
+PJ100300	GPTRRWW 	C45H63N15O9	957.4934	NA	PeJP	NA	NA
+MJ098665	Kabiramide C; 47-Hydroxy 	C48H71N5O15	957.494666	NA	MeJP	NA	NA
+PJ100301	SSSKKKMY 	C41H71N11O13S	957.4954	NA	PeJP	NA	NA
+PJ100302	SVLKYYW 	C49H67N9O11	957.496	NA	PeJP	NA	NA
+PJ100303	GPPLLEFW 	C49H67N9O11	957.4961	NA	PeJP	NA	NA
+PJ100304	PVNMRRW 	C42H67N15O9S	957.4967	NA	PeJP	NA	NA
+PJ100305	PKRWWW 	C50H63N13O7	957.4974	NA	PeJP	NA	NA
+PJ100306	GSPKEERR 	C38H67N15O14	957.4992	NA	PeJP	NA	NA
+PJ100307	GGAALEERR 	C38H67N15O14	957.4993	NA	PeJP	NA	NA
+PJ100308	GPLLLEMW 	C46H71N9O11S	957.4994	NA	PeJP	NA	NA
+PJ100309	APPCKMRR 	C39H71N15O9S2	957.5001	NA	PeJP	NA	NA
+PJ100310	GNNRRRW 	C39H63N19O10	957.5006	NA	PeJP	NA	NA
+PJ100311	PTLLKEEE 	C42H71N9O16	957.5019	NA	PeJP	NA	NA
+PJ100312	PPLLKEMM 	C43H75N9O11S2	957.5028	NA	PeJP	NA	NA
+PJ100313	ASPTLQRW 	C43H67N13O12	957.5032	NA	PeJP	NA	NA
+PJ100314	PDKKERW 	C43H67N13O12	957.5033	NA	PeJP	NA	NA
+PJ100315	PCDRRRR 	C36H67N19O10S	957.504	NA	PeJP	NA	NA
+PJ100316	PKHHHFR 	C44H63N17O8	957.5046	NA	PeJP	NA	NA
+PJ100317	STTLLMHR 	C40H71N13O12S	957.5066	NA	PeJP	NA	NA
+PJ100318	GGGGGGPLKKM 	C40H71N13O12S	957.5067	NA	PeJP	NA	NA
+PJ100319	PVDKKWW 	C48H67N11O10	957.5073	NA	PeJP	NA	NA
+PJ100320	GPMRRRW 	C41H67N17O8S	957.508	NA	PeJP	NA	NA
+PJ100321	VNEERRR 	C37H67N17O13	957.5105	NA	PeJP	NA	NA
+PJ100322	VVKMRYY 	C45H71N11O10S	957.5106	NA	PeJP	NA	NA
+PJ100323	APPTKKMW 	C45H71N11O10S	957.5107	NA	PeJP	NA	NA
+PJ100324	PPLLFWW 	C53H67N9O8	957.5113	NA	PeJP	NA	NA
+PJ100325	PTTILEER 	C41H71N11O15	957.5131	NA	PeJP	NA	NA
+PJ100326	GLLLEEER 	C41H71N11O15	957.5132	NA	PeJP	NA	NA
+PJ100327	PPTLLMMR 	C42H75N11O10S2	957.514	NA	PeJP	NA	NA
+PJ100328	SPKERRW 	C42H67N15O11	957.5145	NA	PeJP	NA	NA
+PJ100329	PLLLMWW 	C50H71N9O8S	957.5147	NA	PeJP	NA	NA
+PJ100330	GVLLLEEW 	C46H71N9O13	957.5172	NA	PeJP	NA	NA
+PJ100331	AAPKEMRR 	C39H71N15O11S	957.5179	NA	PeJP	NA	NA
+PJ100332	SPVKRWW 	C47H67N13O9	957.5185	NA	PeJP	NA	NA
+PJ100333	GSPVLLLEM 	C43H75N9O13S	957.5205	NA	PeJP	NA	NA
+PJ100334	PVLLKEEM 	C43H75N9O13S	957.5206	NA	PeJP	NA	NA
+PJ100335	GEERRRR 	C36H67N19O12	957.5217	NA	PeJP	NA	NA
+PJ100336	PLQKMRW 	C44H71N13O9S	957.5219	NA	PeJP	NA	NA
+PJ100337	APTKKEER 	C40H71N13O14	957.5244	NA	PeJP	NA	NA
+PJ100338	APPKKMMR 	C41H75N13O9S2	957.5253	NA	PeJP	NA	NA
+PJ100339	GVERRRW 	C41H67N17O10	957.5257	NA	PeJP	NA	NA
+PJ100340	LLLEERW 	C45H71N11O12	957.5284	NA	PeJP	NA	NA
+PJ100341	PDKMRRR 	C38H71N17O10S	957.5291	NA	PeJP	NA	NA
+PJ100342	AALRRWW 	C46H67N15O8	957.5298	NA	PeJP	NA	NA
+PJ100343	SPLLLEMR 	C42H75N11O12S	957.5318	NA	PeJP	NA	NA
+PJ100344	VLLLEWW 	C50H71N9O10	957.5324	NA	PeJP	NA	NA
+PJ100345	SNNRRRR 	C35H67N21O11	957.5329	NA	PeJP	NA	NA
+PJ100346	GGGGSRRRR 	C35H67N21O11	957.533	NA	PeJP	NA	NA
+PJ100347	PCLKRRW 	C43H71N15O8S	957.5331	NA	PeJP	NA	NA
+PJ100348	LQKEERR 	C39H71N15O13	957.5356	NA	PeJP	NA	NA
+PJ100349	GGGGGGGGVKKK 	C39H71N15O13	957.5357	NA	PeJP	NA	NA
+PJ100350	SPVLLLMW 	C47H75N9O10S	957.5358	NA	PeJP	NA	NA
+PJ100351	KKKMMHR 	C40H75N15O8S2	957.5365	NA	PeJP	NA	NA
+PJ100352	ERRRRW 	C40H67N19O9	957.537	NA	PeJP	NA	NA
+PJ100353	VVLLKEEE 	C43H75N9O15	957.5383	NA	PeJP	NA	NA
+PJ100354	PLLLLQMM 	C44H79N9O10S2	957.5392	NA	PeJP	NA	NA
+PJ100355	VLQKERW 	C44H71N13O11	957.5396	NA	PeJP	NA	NA
+PJ100356	GGLLKERW 	C44H71N13O11	957.5397	NA	PeJP	NA	NA
+PJ100357	SPMRRRR 	C37H71N19O9S	957.5403	NA	PeJP	NA	NA
+PJ100358	VRRRWW 	C45H67N17O7	957.541	NA	PeJP	NA	NA
+PJ100359	GPLKKEMR 	C41H75N13O11S	957.543	NA	PeJP	NA	NA
+PJ100360	PTLKKWW 	C49H71N11O9	957.5437	NA	PeJP	NA	NA
+PJ100361	AATQQKRR 	C38H71N17O12	957.5468	NA	PeJP	NA	NA
+PJ100362	VDKERRR 	C38H71N17O12	957.5469	NA	PeJP	NA	NA
+PJ100363	GPVLKKMW 	C46H75N11O9S	957.547	NA	PeJP	NA	NA
+PJ100364	SVLLLEER 	C42H75N11O14	957.5495	NA	PeJP	NA	NA
+PJ100365	GGVLLDKKE 	C42H75N11O14	957.5496	NA	PeJP	NA	NA
+PJ100366	PVVLLMMR 	C43H79N11O9S2	957.5504	NA	PeJP	NA	NA
+PJ100367	ALKERRW 	C43H71N15O10	957.5509	NA	PeJP	NA	NA
+PJ100368	ATLLLLEW 	C47H75N9O12	957.5536	NA	PeJP	NA	NA
+PJ100369	GPTLKMRR 	C40H75N15O10S	957.5543	NA	PeJP	NA	NA
+PJ100370	GLLKRWW 	C48H71N13O8	957.5549	NA	PeJP	NA	NA
+PJ100371	VLLLLQEM 	C44H79N9O12S	957.5569	NA	PeJP	NA	NA
+PJ100372	SVERRRR 	C37H71N19O11	957.5581	NA	PeJP	NA	NA
+PJ100373	PLKKMRW 	C45H75N13O8S	957.5583	NA	PeJP	NA	NA
+PJ100374	GVLKKEER 	C41H75N13O13	957.5608	NA	PeJP	NA	NA
+PJ100375	ATLRRRW 	C42H71N17O9	957.5621	NA	PeJP	NA	NA
+PJ100376	AALLKKEW 	C46H75N11O11	957.5648	NA	PeJP	NA	NA
+PJ100377	VLQMRRR 	C39H75N17O9S	957.5655	NA	PeJP	NA	NA
+PJ100378	ALLLLEMR 	C43H79N11O11S	957.5682	NA	PeJP	NA	NA
+PJ100379	GPLLLLFW 	C51H75N9O9	957.5688	NA	PeJP	NA	NA
+PJ100380	LKKEERR 	C40H75N15O12	957.572	NA	PeJP	NA	NA
+PJ100381	GLLLLLMW 	C48H79N9O9S	957.5722	NA	PeJP	NA	NA
+PJ100382	APFRRRR 	C41H71N19O8	957.5734	NA	PeJP	NA	NA
+PJ100383	TLLLLKEE 	C44H79N9O14	957.5747	NA	PeJP	NA	NA
+7735	Led-NPF-II	APSLRLRF~	957.575	antioxidative	Inhouse_peptide	NA	peptide
+PJ100384	PLLLLKMM 	C45H83N9O9S2	957.5756	NA	PeJP	NA	NA
+PJ100385	VLKKERW 	C45H75N13O10	957.576	NA	PeJP	NA	NA
+PJ100386	ALMRRRR 	C38H75N19O8S	957.5767	NA	PeJP	NA	NA
+PJ100387	SPVLKKMR 	C42H79N13O10S	957.5794	NA	PeJP	NA	NA
+PJ100388	VVLKKWW 	C50H75N11O8	957.58	NA	PeJP	NA	NA
+MJ098666	Rapamycin; 42-O-(2-Hydroxyethyl) 	C53H83NO14	957.581356	NA	MeJP	NA	NA
+PJ100389	TLKERRR 	C39H75N17O11	957.5832	NA	PeJP	NA	NA
+PJ100390	GGKKKERR 	C39H75N17O11	957.5833	NA	PeJP	NA	NA
+PJ100391	TTLLLLER 	C43H79N11O13	957.5859	NA	PeJP	NA	NA
+MJ098667	Leptinotarsa decemlineata Peptide NPF 2 	C44H75N15O9	957.587219	NA	MeJP	NA	NA
+PJ100392	SLLKRRW 	C44H75N15O9	957.5873	NA	PeJP	NA	NA
+PJ100393	STLLLLLW 	C48H79N9O11	957.5899	NA	PeJP	NA	NA
+PJ100394	GGPLLLLLY 	C48H79N9O11	957.59	NA	PeJP	NA	NA
+PJ100395	AALLKMRR 	C41H79N15O9S	957.5906	NA	PeJP	NA	NA
+PJ100396	VLLLLKEM 	C45H83N9O11S	957.5933	NA	PeJP	NA	NA
+PJ100397	TTLRRRR 	C38H75N19O10	957.5945	NA	PeJP	NA	NA
+PJ100398	VTTILQKR 	C42H79N13O12	957.5971	NA	PeJP	NA	NA
+PJ100399	ATLLKKER 	C42H79N13O12	957.5972	NA	PeJP	NA	NA
+PJ100400	GKKKRRW 	C43H75N17O8	957.5985	NA	PeJP	NA	NA
+PJ100401	GTLLLKKW 	C47H79N11O10	957.6012	NA	PeJP	NA	NA
+PJ100402	VLKMRRR 	C40H79N17O8S	957.6019	NA	PeJP	NA	NA
+PJ100403	SLLLLLMR 	C44H83N11O10S	957.6046	NA	PeJP	NA	NA
+PJ100404	ATTLLKRR 	C41H79N15O11	957.6084	NA	PeJP	NA	NA
+PJ100405	SSSLLLLLL 	C45H83N9O13	957.6111	NA	PeJP	NA	NA
+PJ100406	LQKKKKW 	C46H79N13O9	957.6124	NA	PeJP	NA	NA
+PJ100407	GLLLKKMR 	C43H83N13O9S	957.6158	NA	PeJP	NA	NA
+MJ098668	Sphinxolide A; 8-Demethoxy, 10-deoxy, 19-Me ether 	C54H87NO13	957.617741	NA	MeJP	NA	NA
+PJ100408	DKKKKRR 	C40H79N17O10	957.6196	NA	PeJP	NA	NA
+PJ100409	SLLLKKKE 	C44H83N11O12	957.6223	NA	PeJP	NA	NA
+PJ100410	PVLLLLKY 	C49H83N9O10	957.6263	NA	PeJP	NA	NA
+PJ100411	SKKKRRR 	C39H79N19O9	957.6309	NA	PeJP	NA	NA
+PJ100412	STLLLKKR 	C43H83N13O11	957.6335	NA	PeJP	NA	NA
+PJ100413	GLKKKKKE 	C43H83N13O11	957.6336	NA	PeJP	NA	NA
+PJ100414	ALLLLLFR 	C48H83N11O9	957.6376	NA	PeJP	NA	NA
+PJ100415	VVLLKKKM 	C45H87N11O9S	957.6409	NA	PeJP	NA	NA
+PJ100416	GTLKKKKR 	C42H83N15O10	957.6448	NA	PeJP	NA	NA
+MJ098669	Nephilatoxin 6 	C47H83N13O8	957.648756	NA	MeJP	NA	NA
+PJ100417	LKKKKKW 	C47H83N13O8	957.6488	NA	PeJP	NA	NA
+PJ100418	VLLLLLKF 	C50H87N9O9	957.6627	NA	PeJP	NA	NA
+PJ100419	SVLKKKKK 	C44H87N13O10	957.6699	NA	PeJP	NA	NA
+MJ098670	Primycin; Primycin A3, 18-De(arabinosyloxy) 	C52H99N3O12	957.722875	NA	MeJP	NA	NA
+HMDB08782	PC(24:0/24:0)	C56H112NO8P	957.812561	NA	HMDB2010	NA	NA
+3869	vespa-like peptide from R, Erythraea	FLPLLFGALSAILPKIFG	958.06895	MH2+	Inhouse_peptide	NA	peptide
+PJ100420	CCCCCMMY 	C34H54N8O10S7	958.2008	NA	PeJP	NA	NA
+PJ100421	GCCCCCCQH 	C31H50N12O11S6	958.2047	NA	PeJP	NA	NA
+PJ100422	GCCCNDDDD 	C31H46N10O19S3	958.2103	NA	PeJP	NA	NA
+PJ100423	CCCCCDFY 	C37H50N8O12S5	958.2152	NA	PeJP	NA	NA
+PJ100424	SSCCCCCNH 	C31H50N12O13S5	958.2224	NA	PeJP	NA	NA
+PJ100425	SPCCCCNDD 	C32H50N10O16S4	958.229	NA	PeJP	NA	NA
+PJ100426	CCCCEMMH 	C33H54N10O11S6	958.2298	NA	PeJP	NA	NA
+PJ100427	SCCCCDYY 	C37H50N8O14S4	958.233	NA	PeJP	NA	NA
+PJ100428	CCCCCMFF 	C38H54N8O9S6	958.2338	NA	PeJP	NA	NA
+PJ100429	CDDDDDMM 	C33H50N8O19S3	958.2355	NA	PeJP	NA	NA
+MJ098671	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C44H47O24(+)	958.237902	NA	MeJP	NA	NA
+PJ100430	GCCCCNNNE 	C31H50N12O15S4	958.2402	NA	PeJP	NA	NA
+PJ100431	GCCCCCCKH 	C32H54N12O10S6	958.2411	NA	PeJP	NA	NA
+PJ100432	CCCCDEHF 	C36H50N10O13S4	958.2442	NA	PeJP	NA	NA
+PJ100433	GSCCNDDDM 	C32H50N10O18S3	958.2467	NA	PeJP	NA	NA
+PJ100434	GPCCCCNEM 	C33H54N10O13S5	958.2476	NA	PeJP	NA	NA
+PJ100435	CDDDDDDF 	C36H46N8O21S	958.2499	NA	PeJP	NA	NA
+PJ100436	ACCCCMYY 	C38H54N8O11S5	958.2516	NA	PeJP	NA	NA
+PJ100437	CCDDDDHH 	C34H46N12O17S2	958.2546	NA	PeJP	NA	NA
+PJ100438	CCCCNNNW 	C35H50N12O12S4	958.2554	NA	PeJP	NA	NA
+PJ100439	GGGGCCCCNW 	C35H50N12O12S4	958.2555	NA	PeJP	NA	NA
+PJ100440	SSCCCNNND 	C31H50N12O17S3	958.2579	NA	PeJP	NA	NA
+PJ100441	GGGGSSCCCND 	C31H50N12O17S3	958.258	NA	PeJP	NA	NA
+PJ100442	GPCCCCCDR 	C32H54N12O12S5	958.2588	NA	PeJP	NA	NA
+PJ100443	SCCCNDEW 	C36H50N10O15S3	958.262	NA	PeJP	NA	NA
+PJ100444	PCCCCNMW 	C37H54N10O10S5	958.2628	NA	PeJP	NA	NA
+PJ100445	SSSCCNDDE 	C32H50N10O20S2	958.2645	NA	PeJP	NA	NA
+PJ100446	CCNNDEMM 	C33H54N10O15S4	958.2653	NA	PeJP	NA	NA
+PJ100447	GGGGCCDEMM 	C33H54N10O15S4	958.2654	NA	PeJP	NA	NA
+PJ100448	TCCCMMMH 	C34H58N10O10S6	958.2662	NA	PeJP	NA	NA
+PJ100449	SDDDDDDY 	C36H46N8O23	958.2676	NA	PeJP	NA	NA
+PJ100450	PCCDDDEY 	C37H50N8O18S2	958.2685	NA	PeJP	NA	NA
+PJ100451	SSCCCMYY 	C38H54N8O13S4	958.2693	NA	PeJP	NA	NA
+PJ100452	SDDDDMMM 	C34H54N8O18S3	958.2719	NA	PeJP	NA	NA
+PJ100453	PCCDEMMM 	C35H58N8O13S5	958.2727	NA	PeJP	NA	NA
+PJ100454	CCCNDDMR 	C32H54N12O14S4	958.2766	NA	PeJP	NA	NA
+PJ100455	GSCCCDWW 	C40H50N10O12S3	958.2772	NA	PeJP	NA	NA
+PJ100456	GSSSCCDDW 	C36H50N10O17S2	958.2797	NA	PeJP	NA	NA
+PJ100457	GCCNDMMW 	C37H54N10O12S4	958.2806	NA	PeJP	NA	NA
+PJ100458	GSSSSSCDDD 	C32H50N10O22S	958.2822	NA	PeJP	NA	NA
+PJ100459	GSSCNDDMM 	C33H54N10O17S3	958.2831	NA	PeJP	NA	NA
+PJ100460	GSPCCCQMM 	C34H58N10O12S5	958.284	NA	PeJP	NA	NA
+PJ100461	CCCNNEHH 	C34H50N14O13S3	958.2844	NA	PeJP	NA	NA
+PJ100462	GGGGCCCEHH 	C34H50N14O13S3	958.2845	NA	PeJP	NA	NA
+PJ100463	ACCCCFFY 	C42H54N8O10S4	958.2846	NA	PeJP	NA	NA
+PJ100464	GDDDDEMY 	C37H50N8O20S	958.2863	NA	PeJP	NA	NA
+PJ100465	PCCDDEMF 	C38H54N8O15S3	958.2871	NA	PeJP	NA	NA
+PJ100466	GSCCCCNNR 	C31H54N14O13S4	958.2878	NA	PeJP	NA	NA
+PJ100467	NNDDDDDH 	C34H46N12O21	958.2901	NA	PeJP	NA	NA
+PJ100468	GDDEMMMM 	C35H58N8O15S4	958.2905	NA	PeJP	NA	NA
+PJ100469	CCNNNNDY 	C35H50N12O16S2	958.2909	NA	PeJP	NA	NA
+PJ100470	GGCCNNNDY 	C35H50N12O16S2	958.291	NA	PeJP	NA	NA
+PJ100471	GCCCCERW 	C36H54N12O11S4	958.2918	NA	PeJP	NA	NA
+PJ100472	GSSCCCDER 	C32H54N12O16S3	958.2943	NA	PeJP	NA	NA
+PJ100473	GCCNDDFW 	C40H50N10O14S2	958.295	NA	PeJP	NA	NA
+PJ100474	GSPCCCCMR 	C33H58N12O11S5	958.2952	NA	PeJP	NA	NA
+FL3FABGS0012	Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)]	C42H54O25	958.29541	109517-74-0	knapsack	NA	NA
+MJ098672	5,7-Dihydroxy-4'-methoxyflavone; 7-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?4)]-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C42H54O25	958.295417	NA	MeJP	NA	NA
+MJ098673	Jasamplexoside A; 3''-Hydroxy 	C42H54O25	958.295417	NA	MeJP	NA	NA
+PJ100475	CCCQMWW 	C41H54N10O9S4	958.2958	NA	PeJP	NA	NA
+PJ100476	GACCCMWW 	C41H54N10O9S4	958.2959	NA	PeJP	NA	NA
+PJ100477	SCNNDDEY 	C36H50N10O19S	958.2975	NA	PeJP	NA	NA
+PJ100478	SSCCNEMW 	C37H54N10O14S3	958.2983	NA	PeJP	NA	NA
+PJ100479	GGSSCCEMW 	C37H54N10O14S3	958.2984	NA	PeJP	NA	NA
+PJ100480	GCCMMMHF 	C38H58N10O9S5	958.2992	NA	PeJP	NA	NA
+PJ100481	GCCCNHHW 	C38H50N14O10S3	958.2997	NA	PeJP	NA	NA
+PJ100482	SSSSCNDEM 	C33H54N10O19S2	958.3008	NA	PeJP	NA	NA
+PJ100483	GGSSSSCDEM 	C33H54N10O19S2	958.3009	NA	PeJP	NA	NA
+PJ100484	DDDDMYW 	C41H50N8O17S	958.3015	NA	PeJP	NA	NA
+PJ100485	SCNNEMMM 	C34H58N10O14S4	958.3017	NA	PeJP	NA	NA
+PJ100486	GSSCCNDHH 	C34H50N14O15S2	958.3022	NA	PeJP	NA	NA
+PJ100487	CCNMYYY 	C42H54N8O12S3	958.3024	NA	PeJP	NA	NA
+PJ100488	SSDDDEEY 	C37H50N8O22	958.304	NA	PeJP	NA	NA
+PJ100489	SPCDDEMY 	C38H54N8O17S2	958.3049	NA	PeJP	NA	NA
+PJ100490	DDMMMMW 	C39H58N8O12S4	958.3057	NA	PeJP	NA	NA
+PJ100491	CCCCRWW 	C40H54N12O8S4	958.3071	NA	PeJP	NA	NA
+PJ100492	SSDEEMMM 	C35H58N8O17S3	958.3082	NA	PeJP	NA	NA
+PJ100493	GSPCNDDDH 	C35H50N12O18S	958.3087	NA	PeJP	NA	NA
+PJ100494	SPCEMMMM 	C36H62N8O12S5	958.3091	NA	PeJP	NA	NA
+PJ100495	SSCCCDRW 	C36H54N12O13S3	958.3096	NA	PeJP	NA	NA
+PJ100496	SSSSCCDDR 	C32H54N12O18S2	958.3121	NA	PeJP	NA	NA
+PJ100497	GSCNDDYW 	C40H50N10O16S	958.3127	NA	PeJP	NA	NA
+PJ100498	SSPTCCCCR 	C33H58N12O13S4	958.3129	NA	PeJP	NA	NA
+PJ100499	SCCNDMMR 	C33H58N12O13S4	958.313	NA	PeJP	NA	NA
+PJ100500	GSSCCMWW 	C41H54N10O11S3	958.3136	NA	PeJP	NA	NA
+PJ100501	GSSSNDDDY 	C36H50N10O21	958.3152	NA	PeJP	NA	NA
+PJ100502	GDDEEEEH 	C36H50N10O21	958.3153	NA	PeJP	NA	NA
+PJ100503	GSSSSCDMW 	C37H54N10O16S2	958.3161	NA	PeJP	NA	NA
+PJ100504	GSCNMMMW 	C38H58N10O11S4	958.317	NA	PeJP	NA	NA
+PJ100505	GSSSSSSDDM 	C33H54N10O21S	958.3186	NA	PeJP	NA	NA
+PJ100506	GPDDDDYY 	C41H50N8O19	958.3193	NA	PeJP	NA	NA
+PJ100507	GSSSNDMMM 	C34H58N10O16S3	958.3195	NA	PeJP	NA	NA
+PJ100508	CNNNNDEH 	C34H50N14O17S	958.3199	NA	PeJP	NA	NA
+PJ100509	GGCNNNDEH 	C34H50N14O17S	958.32	NA	PeJP	NA	NA
+PJ100510	DDDMMFW 	C42H54N8O14S2	958.3201	NA	PeJP	NA	NA
+PJ100511	GNNMMMMM 	C35H62N10O11S5	958.3203	NA	PeJP	NA	NA
+PJ100512	GGGNMMMMM 	C35H62N10O11S5	958.3204	NA	PeJP	NA	NA
+PJ100513	SCCNQMHH 	C35H54N14O12S3	958.3208	NA	PeJP	NA	NA
+PJ100514	GSDEEEMY 	C38H54N8O19S	958.3226	NA	PeJP	NA	NA
+PJ100515	GPDDMMMY 	C39H58N8O14S3	958.3235	NA	PeJP	NA	NA
+PJ100516	GCDDEHHF 	C39H50N12O15S	958.324	NA	PeJP	NA	NA
+PJ100517	SCCCCERR 	C32H58N14O12S4	958.3242	NA	PeJP	NA	NA
+PJ100518	PPCCMMMF 	C40H62N8O9S5	958.3244	NA	PeJP	NA	NA
+PJ100519	CDMMHHW 	C40H54N12O10S3	958.3248	NA	PeJP	NA	NA
+PJ100520	GGPPCCCHW 	C40H54N12O10S3	958.3249	NA	PeJP	NA	NA
+PJ100521	SNNDDEEH 	C35H50N12O20	958.3265	NA	PeJP	NA	NA
+PJ100522	GTEEMMMM 	C36H62N8O14S4	958.3269	NA	PeJP	NA	NA
+PJ100523	GCCNDERY 	C36H54N12O15S2	958.3273	NA	PeJP	NA	NA
+PJ100524	GGGCCDERY 	C36H54N12O15S2	958.3274	NA	PeJP	NA	NA
+PJ100525	GPMMMMMM 	C37H66N8O9S6	958.3277	NA	PeJP	NA	NA
+PJ100526	GTCCCMRW 	C37H58N12O10S4	958.3282	NA	PeJP	NA	NA
+PJ100527	GCCEHHHH 	C37H50N16O11S2	958.3287	NA	PeJP	NA	NA
+PJ100528	SSSSSSSCNN 	C32H54N12O20S	958.3298	NA	PeJP	NA	NA
+PJ100529	DDEEEHW 	C40H50N10O18	958.3305	NA	PeJP	NA	NA
+PJ100530	GSSSCCEMR 	C33H58N12O15S3	958.3307	NA	PeJP	NA	NA
+PJ100531	SSSTCCWW 	C41H54N10O13S2	958.3314	NA	PeJP	NA	NA
+PJ100532	GCCQMMMR 	C34H62N12O10S5	958.3316	NA	PeJP	NA	NA
+PJ100533	SCCCNHHR 	C34H54N16O11S3	958.3321	NA	PeJP	NA	NA
+PJ100534	CCCKMWW 	C42H58N10O8S4	958.3322	NA	PeJP	NA	NA
+PJ100535	SSSSSSCEW 	C37H54N10O18S	958.3338	NA	PeJP	NA	NA
+PJ100536	SSSSSTCDW 	C37H54N10O18S	958.3339	NA	PeJP	NA	NA
+PJ100537	DDDDFFW 	C45H50N8O16	958.3345	NA	PeJP	NA	NA
+PJ100538	SSSCQMMW 	C38H58N10O13S3	958.3347	NA	PeJP	NA	NA
+PJ100539	GGGGGDMMMF 	C38H58N10O13S3	958.3348	NA	PeJP	NA	NA
+PJ100540	GCNNNDHW 	C38H50N14O14S	958.3352	NA	PeJP	NA	NA
+PJ100541	CCNFFYY 	C46H54N8O11S2	958.3354	NA	PeJP	NA	NA
+PJ100542	SSSSSSSSDE 	C33H54N10O23	958.3364	NA	PeJP	NA	NA
+PJ100543	SSSSSNEMM 	C34H58N10O18S2	958.3372	NA	PeJP	NA	NA
+PJ100544	GSSNNNDDH 	C34H50N14O19	958.3377	NA	PeJP	NA	NA
+PJ100545	SDEEMYW 	C42H54N8O16S	958.3379	NA	PeJP	NA	NA
+PJ100546	SSNQMMMM 	C35H62N10O13S4	958.3381	NA	PeJP	NA	NA
+PJ100547	PCCNDDHR 	C35H54N14O14S2	958.3386	NA	PeJP	NA	NA
+PJ100548	PCEMMYW 	C43H58N8O11S3	958.3387	NA	PeJP	NA	NA
+PJ100549	PPCCDMFF 	C43H58N8O11S3	958.3388	NA	PeJP	NA	NA
+PJ100550	CDDHHFW 	C43H50N12O12S	958.3392	NA	PeJP	NA	NA
+PJ100551	SSSEEEEY 	C38H54N8O21	958.3404	NA	PeJP	NA	NA
+PJ100552	QEEEMMY 	C39H58N8O16S2	958.3413	NA	PeJP	NA	NA
+PJ100553	GSNDDEHW 	C39H50N12O17	958.3417	NA	PeJP	NA	NA
+PJ100554	TEMMMMW 	C40H62N8O11S4	958.3421	NA	PeJP	NA	NA
+PJ100555	CCNDRYW 	C40H54N12O12S2	958.3426	NA	PeJP	NA	NA
+PJ100556	GCCCMMRR 	C33H62N14O9S5	958.3428	NA	PeJP	NA	NA
+PJ100557	CCHHHHW 	C41H50N16O8S2	958.3439	NA	PeJP	NA	NA
+PJ100558	STTEEMMM 	C36H62N8O16S3	958.3446	NA	PeJP	NA	NA
+PJ100559	SSCNDDRY 	C36H54N12O17S	958.3451	NA	PeJP	NA	NA
+PJ100560	GVEMMMMM 	C37H66N8O11S5	958.3455	NA	PeJP	NA	NA
+PJ100561	SSSCCMRW 	C37H58N12O12S3	958.346	NA	PeJP	NA	NA
+PJ100562	SSCDHHHH 	C37H50N16O13S	958.3464	NA	PeJP	NA	NA
+PJ100563	GCNMYWW 	C45H54N10O10S2	958.3466	NA	PeJP	NA	NA
+PJ100564	SSSSSCDMR 	C33H58N12O17S2	958.3485	NA	PeJP	NA	NA
+PJ100565	GSSNDMYW 	C41H54N10O15S	958.3491	NA	PeJP	NA	NA
+PJ100566	SSCNMMMR 	C34H62N12O12S4	958.3493	NA	PeJP	NA	NA
+PJ100567	GPCCCKYW 	C42H58N10O10S3	958.35	NA	PeJP	NA	NA
+PJ100568	GSSSSNEEY 	C37H54N10O20	958.3516	NA	PeJP	NA	NA
+PJ100569	GSSSSSMMW 	C38H58N10O15S2	958.3525	NA	PeJP	NA	NA
+PJ100570	SPDDDHHH 	C38H50N14O16	958.353	NA	PeJP	NA	NA
+PJ100571	PCDEFYW 	C46H54N8O13S	958.3531	NA	PeJP	NA	NA
+PJ100572	GTCCKMMW 	C39H62N10O10S4	958.3534	NA	PeJP	NA	NA
+PJ100573	GCNNMHHF 	C39H54N14O11S2	958.3538	NA	PeJP	NA	NA
+PJ100574	GGGGGCMHHF 	C39H54N14O11S2	958.3539	NA	PeJP	NA	NA
+PJ100575	GSSSSSSTEM 	C34H58N10O20S	958.355	NA	PeJP	NA	NA
+PJ100576	GSPDEEYY 	C42H54N8O18	958.3556	NA	PeJP	NA	NA
+PJ100577	GGEEEEFY 	C42H54N8O18	958.3557	NA	PeJP	NA	NA
+PJ100578	GSSSTQMMM 	C35H62N10O15S3	958.3559	NA	PeJP	NA	NA
+PJ100579	GNDDDMHR 	C35H54N14O16S	958.3563	NA	PeJP	NA	NA
+PJ100580	GGGDDDMHR 	C35H54N14O16S	958.3564	NA	PeJP	NA	NA
+PJ100581	AEEMMYW 	C43H58N8O13S2	958.3565	NA	PeJP	NA	NA
+PJ100582	EMMMMMR 	C36H66N10O10S5	958.3567	NA	PeJP	NA	NA
+PJ100583	SNDDHWW 	C43H50N12O14	958.357	NA	PeJP	NA	NA
+PJ100584	GCCCDFRR 	C36H58N14O11S3	958.3572	NA	PeJP	NA	NA
+PJ100585	PCCQHWW 	C44H54N12O9S2	958.3579	NA	PeJP	NA	NA
+PJ100586	GTTEEEMY 	C39H58N8O18S	958.359	NA	PeJP	NA	NA
+PJ100587	GPTEMMMY 	C40H62N8O13S3	958.3599	NA	PeJP	NA	NA
+PJ100588	GCNNNQFY 	C40H54N12O14S	958.3603	NA	PeJP	NA	NA
+PJ100589	NNEEMHW 	C40H54N12O14S	958.3604	NA	PeJP	NA	NA
+PJ100590	STCCCMRR 	C33H62N14O11S4	958.3606	NA	PeJP	NA	NA
+PJ100591	VMMMMMW 	C41H66N8O8S5	958.3608	NA	PeJP	NA	NA
+PJ100592	CCNMFRW 	C41H58N12O9S3	958.3612	NA	PeJP	NA	NA
+PJ100593	SSSSSNNNY 	C36H54N12O19	958.3628	NA	PeJP	NA	NA
+PJ100594	GGGGSSSSSNY 	C36H54N12O19	958.3629	NA	PeJP	NA	NA
+PJ100595	SSLEMMMM 	C37H66N8O13S4	958.3633	NA	PeJP	NA	NA
+PJ100596	GSCNEMRY 	C37H58N12O14S2	958.3637	NA	PeJP	NA	NA
+PJ100597	GGGGGGPPPTCC 	C37H58N12O14S2	958.3638	NA	PeJP	NA	NA
+PJ100598	GNNDEHHH 	C37H50N16O15	958.3642	NA	PeJP	NA	NA
+PJ100599	SSCQYWW 	C45H54N10O12S	958.3644	NA	PeJP	NA	NA
+PJ100600	PCCCCKFR 	C38H62N12O9S4	958.3646	NA	PeJP	NA	NA
+PJ100601	GTCMHHHH 	C38H54N16O10S2	958.3651	NA	PeJP	NA	NA
+PJ100602	SSSSNEYW 	C41H54N10O17	958.3669	NA	PeJP	NA	NA
+PJ100603	GSSSTCMMR 	C34H62N12O14S3	958.3671	NA	PeJP	NA	NA
+PJ100604	SCNNNDHR 	C34H54N16O15S	958.3676	NA	PeJP	NA	NA
+PJ100605	SNQMMYW 	C42H58N10O12S2	958.3677	NA	PeJP	NA	NA
+PJ100606	GGGGTMMYW 	C42H58N10O12S2	958.3678	NA	PeJP	NA	NA
+PJ100607	GCCKMMMR 	C35H66N12O9S5	958.368	NA	PeJP	NA	NA
+MJ098674	Jaspofoliamoside E 	C44H62O23	958.368188	NA	MeJP	NA	NA
+PJ100608	SSSSSSTMW 	C38H58N10O17S	958.3702	NA	PeJP	NA	NA
+PJ100609	GGGGSTTEMY 	C38H58N10O17S	958.3703	NA	PeJP	NA	NA
+PJ100610	SPDEYYW 	C46H54N8O15	958.3709	NA	PeJP	NA	NA
+PJ100611	SSSCKMMW 	C39H62N10O12S3	958.3711	NA	PeJP	NA	NA
+PJ100612	CNDEHRW 	C39H54N14O13S	958.3716	NA	PeJP	NA	NA
+PJ100613	PPCMYYW 	C47H58N8O10S2	958.3718	NA	PeJP	NA	NA
+PJ100614	SSSSSSSTTE 	C34H58N10O22	958.3727	NA	PeJP	NA	NA
+PJ100615	SSSSSDKMM 	C35H62N10O17S2	958.3736	NA	PeJP	NA	NA
+PJ100616	SSNDDEHR 	C35H54N14O18	958.3741	NA	PeJP	NA	NA
+PJ100617	TTEEMYW 	C43H58N8O15S	958.3743	NA	PeJP	NA	NA
+PJ100618	SSNKMMMM 	C36H66N10O12S4	958.3745	NA	PeJP	NA	NA
+PJ100619	GSCCDRRY 	C36H58N14O13S2	958.375	NA	PeJP	NA	NA
+PJ100620	PTMMMYW 	C44H62N8O10S3	958.3751	NA	PeJP	NA	NA
+PJ100621	GNEMHWW 	C44H54N12O11S	958.3756	NA	PeJP	NA	NA
+PJ100622	STTTEEEY 	C39H58N8O20	958.3768	NA	PeJP	NA	NA
+PJ100623	KEEEMMY 	C40H62N8O15S2	958.3776	NA	PeJP	NA	NA
+PJ100624	PPPEEEMM 	C40H62N8O15S2	958.3777	NA	PeJP	NA	NA
+PJ100625	GSSQEEHW 	C40H54N12O16	958.3781	NA	PeJP	NA	NA
+PJ100626	GPVMMMMY 	C41H66N8O10S4	958.3785	NA	PeJP	NA	NA
+PJ100627	SCNMRYW 	C41H58N12O11S2	958.379	NA	PeJP	NA	NA
+PJ100628	NNDHHHW 	C41H50N16O12	958.3794	NA	PeJP	NA	NA
+PJ100629	GGNDHHHW 	C41H50N16O12	958.3795	NA	PeJP	NA	NA
+PJ100630	GCNFFWW 	C49H54N10O9S	958.3796	NA	PeJP	NA	NA
+PJ100631	SSSNDMRY 	C37H58N12O16S	958.3815	NA	PeJP	NA	NA
+PJ100632	ATLMMMMM 	C38H70N8O10S5	958.3819	NA	PeJP	NA	NA
+PJ100633	GSSSSYWW 	C45H54N10O14	958.3821	NA	PeJP	NA	NA
+PJ100634	NNMMMRY 	C38H62N12O11S3	958.3823	NA	PeJP	NA	NA
+PJ100635	GGNMMMRY 	C38H62N12O11S3	958.3824	NA	PeJP	NA	NA
+MJ098675	Acmycin 	C33H68NO30	958.382614	NA	MeJP	NA	NA
+PJ100636	SSSMHHHH 	C38H54N16O12S	958.3828	NA	PeJP	NA	NA
+PJ100637	ACCKYWW 	C46H58N10O9S2	958.383	NA	PeJP	NA	NA
+PJ100638	SSSSSSMMR 	C34H62N12O16S2	958.3848	NA	PeJP	NA	NA
+PJ100639	NNNNNNQQ 	C34H54N16O17	958.3853	NA	PeJP	NA	NA
+PJ100640	GGGGGGGGGGGGQQ 	C34H54N16O17	958.3854	NA	PeJP	NA	NA
+PJ100641	GSSTQMYW 	C42H58N10O14S	958.3855	NA	PeJP	NA	NA
+PJ100642	STCCKMMR 	C35H66N12O11S4	958.3857	NA	PeJP	NA	NA
+PJ100643	EEFYWW 	C50H54N8O12	958.3862	NA	PeJP	NA	NA
+PJ100644	CNKMMFW 	C43H62N10O9S3	958.3864	NA	PeJP	NA	NA
+PJ100645	GCDHRWW 	C43H54N14O10S	958.3869	NA	PeJP	NA	NA
+PJ100646	GSSSSDKEY 	C38H58N10O19	958.388	NA	PeJP	NA	NA
+PJ100647	TEEMMRY 	C39H62N10O14S2	958.3889	NA	PeJP	NA	NA
+PJ100648	SSSNNQHW 	C39H54N14O15	958.3893	NA	PeJP	NA	NA
+PJ100649	GSSDDHRW 	C39H54N14O15	958.3894	NA	PeJP	NA	NA
+PJ100650	APEMYYW 	C47H58N8O12S	958.3895	NA	PeJP	NA	NA
+PJ100651	PMMMMRY 	C40H66N10O9S4	958.3897	NA	PeJP	NA	NA
+PJ100652	PCCCKKMF 	C40H66N10O9S4	958.3898	NA	PeJP	NA	NA
+PJ100653	GPTCCHRW 	C40H58N14O10S2	958.3902	NA	PeJP	NA	NA
+PJ100654	NMHWWW 	C48H54N12O8S	958.3909	NA	PeJP	NA	NA
+PJ100655	SSSSSSSSLM 	C35H62N10O19S	958.3914	NA	PeJP	NA	NA
+PJ100656	VQEEEYY 	C43H58N8O17	958.392	NA	PeJP	NA	NA
+PJ100657	GSSSTKMMM 	C36H66N10O14S3	958.3922	NA	PeJP	NA	NA
+PJ100658	GSNEEMHR 	C36H58N14O15S	958.3927	NA	PeJP	NA	NA
+PJ100659	GGGGGGGGGAPQM 	C36H58N14O15S	958.3928	NA	PeJP	NA	NA
+PJ100660	SLEMMYW 	C44H62N8O12S2	958.3929	NA	PeJP	NA	NA
+PJ100661	GCKKMMMM 	C37H70N10O9S5	958.3931	NA	PeJP	NA	NA
+PJ100662	SSQEHWW 	C44H54N12O13	958.3934	NA	PeJP	NA	NA
+PJ100663	CCQMRRY 	C37H62N14O10S3	958.3936	NA	PeJP	NA	NA
+PJ100664	PCCKHWW 	C45H58N12O8S2	958.3942	NA	PeJP	NA	NA
+PJ100665	SSTLEEMY 	C40H62N8O17S	958.3954	NA	PeJP	NA	NA
+MJ098676	RA-IX; 5''-De-O-Me, 5''-O-?-D-glucopyranoside 	C48H58N6O15	958.396015	NA	MeJP	NA	NA
+PJ100666	AALEMMMY 	C41H66N8O12S3	958.3963	NA	PeJP	NA	NA
+PJ100667	GSSTCRYW 	C41H58N12O13S	958.3967	NA	PeJP	NA	NA
+PJ100668	GPPCDERW 	C41H58N12O13S	958.3968	NA	PeJP	NA	NA
+PJ100669	NQYYWW 	C49H54N10O11	958.3974	NA	PeJP	NA	NA
+PJ100670	GGGGGCCHRR 	C34H58N18O11S2	958.3975	NA	PeJP	NA	NA
+PJ100671	NMHHHHF 	C42H54N16O9S	958.3981	NA	PeJP	NA	NA
+PJ100672	GSSSSSERY 	C37H58N12O18	958.3992	NA	PeJP	NA	NA
+PJ100673	GPNEEEER 	C37H58N12O18	958.3993	NA	PeJP	NA	NA
+PJ100674	TTTLMMMM 	C38H70N8O12S4	958.3996	NA	PeJP	NA	NA
+PJ100675	GSSQMMRY 	C38H62N12O13S2	958.4001	NA	PeJP	NA	NA
+PJ100676	DEEHHHR 	C38H54N16O14	958.4006	NA	PeJP	NA	NA
+PJ100677	SSCKYWW 	C46H58N10O11S	958.4007	NA	PeJP	NA	NA
+PJ100678	PPNEMWW 	C46H58N10O11S	958.4008	NA	PeJP	NA	NA
+PJ100679	SSSTTQYW 	C42H58N10O16	958.4032	NA	PeJP	NA	NA
+PJ100680	SSSSDKYW 	C42H58N10O16	958.4033	NA	PeJP	NA	NA
+PJ100681	SSNNNMHR 	C35H58N16O14S	958.4039	NA	PeJP	NA	NA
+PJ100682	GSCDEHRR 	C35H58N16O14S	958.404	NA	PeJP	NA	NA
+PJ100683	SNKMMYW 	C43H62N10O11S2	958.4041	NA	PeJP	NA	NA
+PJ100684	GGGGGVMMFF 	C43H62N10O11S2	958.4042	NA	PeJP	NA	NA
+PJ100685	NNNQHFW 	C43H54N14O12	958.4046	NA	PeJP	NA	NA
+PJ100686	PPCFFYW 	C51H58N8O9S	958.4048	NA	PeJP	NA	NA
+PJ100687	SSSQKEMY 	C39H62N10O16S	958.4066	NA	PeJP	NA	NA
+PJ100688	GGAAPPTEEM 	C39H62N10O16S	958.4067	NA	PeJP	NA	NA
+PJ100689	GLEEYYW 	C47H58N8O14	958.4073	NA	PeJP	NA	NA
+PJ100690	VEMMMRY 	C40H66N10O11S3	958.4075	NA	PeJP	NA	NA
+PJ100691	SNEMHRW 	C40H58N14O12S	958.408	NA	PeJP	NA	NA
+PJ100692	PCLMFYW 	C48H62N8O9S2	958.4082	NA	PeJP	NA	NA
+PJ100693	GSTHWWW 	C48H54N12O10	958.4086	NA	PeJP	NA	NA
+PJ100694	SSSSSTTTTT 	C35H62N10O21	958.4091	NA	PeJP	NA	NA
+PJ100695	SSSSTTKMM 	C36H66N10O16S2	958.41	NA	PeJP	NA	NA
+PJ100696	GPDDDERR 	C36H58N14O17	958.4105	NA	PeJP	NA	NA
+PJ100697	SPPTTMYY 	C44H62N8O14S	958.4106	NA	PeJP	NA	NA
+PJ100698	PKEEMYY 	C44H62N8O14S	958.4107	NA	PeJP	NA	NA
+PJ100699	STCKKMMM 	C37H70N10O11S4	958.4109	NA	PeJP	NA	NA
+PJ100700	GSSCMRRY 	C37H62N14O12S2	958.4113	NA	PeJP	NA	NA
+PJ100701	GAQEMMHR 	C37H62N14O12S2	958.4114	NA	PeJP	NA	NA
+PJ100702	VVMMMYW 	C45H66N8O9S3	958.4115	NA	PeJP	NA	NA
+PJ100703	GSNDHHHR 	C37H54N18O13	958.4118	NA	PeJP	NA	NA
+PJ100704	PPCDRWW 	C45H58N12O10S	958.412	NA	PeJP	NA	NA
+PJ100705	PVVEEEEE 	C40H62N8O19	958.4132	NA	PeJP	NA	NA
+PJ100706	ATTLEMMY 	C41H66N8O14S2	958.414	NA	PeJP	NA	NA
+PJ100707	SSSSSRYW 	C41H58N12O15	958.4145	NA	PeJP	NA	NA
+PJ100708	GVLMMMMF 	C42H70N8O9S4	958.4149	NA	PeJP	NA	NA
+PJ100709	TCCKRYW 	C42H62N12O10S2	958.4154	NA	PeJP	NA	NA
+PJ100710	SQQHHHW 	C42H54N16O11	958.4158	NA	PeJP	NA	NA
+PJ100711	GGGATHHHW 	C42H54N16O11	958.4159	NA	PeJP	NA	NA
+PJ100712	GPPMWWW 	C50H58N10O8S	958.416	NA	PeJP	NA	NA
+PJ100713	SSSTQMRY 	C38H62N12O15S	958.4179	NA	PeJP	NA	NA
+PJ100714	PVNEEWW 	C46H58N10O13	958.4185	NA	PeJP	NA	NA
+PJ100715	CQKMMRY 	C39H66N12O10S3	958.4187	NA	PeJP	NA	NA
+PJ100716	GAPPPCMMR 	C39H66N12O10S3	958.4188	NA	PeJP	NA	NA
+PJ100717	SCDHRRW 	C39H58N16O11S	958.4192	NA	PeJP	NA	NA
+PJ100718	CKMHFFF 	C47H62N10O8S2	958.4194	NA	PeJP	NA	NA
+PJ100719	SSSDDHRR 	C35H58N16O16	958.4217	NA	PeJP	NA	NA
+PJ100720	GGGGGGGGGAAER 	C35H58N16O16	958.4218	NA	PeJP	NA	NA
+PJ100721	GSSTKMYW 	C43H62N10O13S	958.4219	NA	PeJP	NA	NA
+PJ100722	LEYYWW 	C51H58N8O11	958.4225	NA	PeJP	NA	NA
+PJ100723	NDMMHRR 	C36H62N16O11S2	958.4226	NA	PeJP	NA	NA
+PJ100724	PMMMFFR 	C44H66N10O8S3	958.4228	NA	PeJP	NA	NA
+PJ100725	GSMHRWW 	C44H58N14O9S	958.4232	NA	PeJP	NA	NA
+PJ100726	HHFFWW 	C52H54N12O7	958.4239	NA	PeJP	NA	NA
+PJ100727	GSSSTTKEY 	C39H62N10O18	958.4244	NA	PeJP	NA	NA
+PJ100728	GSDKKMMY 	C40H66N10O13S2	958.4253	NA	PeJP	NA	NA
+PJ100729	PDDDRRW 	C40H58N14O14	958.4257	NA	PeJP	NA	NA
+PJ100730	GGGGGSPERW 	C40H58N14O14	958.4258	NA	PeJP	NA	NA
+PJ100731	SPLMYYW 	C48H62N8O11S	958.4259	NA	PeJP	NA	NA
+PJ100732	LMMMMFR 	C41H70N10O8S4	958.4261	NA	PeJP	NA	NA
+PJ100733	AQMMHRW 	C41H62N14O9S2	958.4266	NA	PeJP	NA	NA
+PJ100734	GPTHHHHH 	C41H54N18O10	958.4271	NA	PeJP	NA	NA
+PJ100735	VKEEEYY 	C44H62N8O16	958.4284	NA	PeJP	NA	NA
+MJ098677	Chitinovorin D 	C37H62N14O14S	958.429063	NA	MeJP	NA	NA
+PJ100736	SSSTCRRY 	C37H62N14O14S	958.4291	NA	PeJP	NA	NA
+PJ100737	AAPLMMYY 	C45H66N8O11S2	958.4293	NA	PeJP	NA	NA
+PJ100738	SSKEHWW 	C45H58N12O12	958.4297	NA	PeJP	NA	NA
+PJ100739	GPEERWW 	C45H58N12O12	958.4298	NA	PeJP	NA	NA
+PJ100740	CCKMRRY 	C38H66N14O9S3	958.43	NA	PeJP	NA	NA
+PJ100741	NQMHHHR 	C38H58N18O10S	958.4304	NA	PeJP	NA	NA
+PJ100742	GGQMHHHR 	C38H58N18O10S	958.4305	NA	PeJP	NA	NA
+PJ100743	TTTTLEMY 	C41H66N8O16S	958.4318	NA	PeJP	NA	NA
+PJ100744	GTLLMMMY 	C42H70N8O11S3	958.4327	NA	PeJP	NA	NA
+PJ100745	GNNNNDRR 	C34H58N18O15	958.4329	NA	PeJP	NA	NA
+PJ100746	GGGNNNDRR 	C34H58N18O15	958.433	NA	PeJP	NA	NA
+PJ100747	GSPPEMRW 	C42H62N12O12S	958.4331	NA	PeJP	NA	NA
+PJ100748	GGGGGGAPLMW 	C42H62N12O12S	958.4332	NA	PeJP	NA	NA
+PJ100749	GPVEWWW 	C50H58N10O10	958.4338	NA	PeJP	NA	NA
+PJ100750	GSSSTTTRY 	C38H62N12O17	958.4356	NA	PeJP	NA	NA
+PJ100751	AAAAAAAANEE 	C38H62N12O17	958.4357	NA	PeJP	NA	NA
+PJ100752	GSSKMMRY 	C39H66N12O12S2	958.4365	NA	PeJP	NA	NA
+PJ100753	NNNQQRW 	C39H58N16O13	958.437	NA	PeJP	NA	NA
+PJ100754	ASPPCLWW 	C47H62N10O10S	958.4371	NA	PeJP	NA	NA
+PJ100755	PPDKMWW 	C47H62N10O10S	958.4372	NA	PeJP	NA	NA
+PJ100756	ACMHRRW 	C40H62N16O8S2	958.4378	NA	PeJP	NA	NA
+PJ100757	SSSTTKYW 	C43H62N10O15	958.4396	NA	PeJP	NA	NA
+PJ100758	AAPKEEEW 	C43H62N10O15	958.4397	NA	PeJP	NA	NA
+PJ100759	GSSEMHRR 	C36H62N16O13S	958.4403	NA	PeJP	NA	NA
+PJ100760	GGGPNDMRR 	C36H62N16O13S	958.4404	NA	PeJP	NA	NA
+PJ100761	TCKKMYW 	C44H66N10O10S2	958.4405	NA	PeJP	NA	NA
+PJ100762	SSTHRWW 	C44H58N14O11	958.441	NA	PeJP	NA	NA
+PJ100763	PCLFFFW 	C52H62N8O8S	958.4412	NA	PeJP	NA	NA
+PJ100764	CNHHHRR 	C37H58N20O9S	958.4417	NA	PeJP	NA	NA
+PJ100765	SSSKKEMY 	C40H66N10O15S	958.443	NA	PeJP	NA	NA
+PJ100766	SVLEYYW 	C48H62N8O13	958.4437	NA	PeJP	NA	NA
+PJ100767	QKKMMMY 	C41H70N10O10S3	958.4439	NA	PeJP	NA	NA
+PJ100768	ACQRRYY 	C41H62N14O11S	958.4443	NA	PeJP	NA	NA
+PJ100769	SDKMHRW 	C41H62N14O11S	958.4444	NA	PeJP	NA	NA
+PJ100770	VVMMFFW 	C49H66N8O8S2	958.4445	NA	PeJP	NA	NA
+PJ100771	PERWWW 	C49H58N12O9	958.445	NA	PeJP	NA	NA
+PJ100772	ATQQQQQQ 	C37H62N14O16	958.4468	NA	PeJP	NA	NA
+PJ100773	GSPEEERR 	C37H62N14O16	958.4469	NA	PeJP	NA	NA
+PJ100774	LLQEMYY 	C45H66N8O13S	958.447	NA	PeJP	NA	NA
+PJ100775	PPPLEEMF 	C45H66N8O13S	958.4471	NA	PeJP	NA	NA
+PJ100776	GPPDMMRR 	C38H66N14O11S2	958.4477	NA	PeJP	NA	NA
+PJ100777	GGGGPPCKMR 	C38H66N14O11S2	958.4478	NA	PeJP	NA	NA
+PJ100778	GSTQHHHR 	C38H58N18O12	958.4482	NA	PeJP	NA	NA
+PJ100779	SPPMRWW 	C46H62N12O9S	958.4484	NA	PeJP	NA	NA
+PJ100780	PVWWWW 	C54H58N10O7	958.449	NA	PeJP	NA	NA
+PJ100781	PTLLEEEE 	C41H66N8O18	958.4496	NA	PeJP	NA	NA
+PJ100782	STTLLMMY 	C42H70N8O13S2	958.4504	NA	PeJP	NA	NA
+PJ100783	PDKEERW 	C42H62N12O14	958.4509	NA	PeJP	NA	NA
+PJ100784	AAPPMMRW 	C43H66N12O9S2	958.4518	NA	PeJP	NA	NA
+PJ100785	SQKHHHW 	C43H58N16O10	958.4522	NA	PeJP	NA	NA
+PJ100786	SSSTKMRY 	C39H66N12O14S	958.4542	NA	PeJP	NA	NA
+PJ100787	GPLQEEMR 	C39H66N12O14S	958.4543	NA	PeJP	NA	NA
+PJ100788	PVDKEWW 	C47H62N10O12	958.4549	NA	PeJP	NA	NA
+PJ100789	CKKMMRY 	C40H70N12O9S3	958.4551	NA	PeJP	NA	NA
+PJ100790	SSMHRRW 	C40H62N16O10S	958.4556	NA	PeJP	NA	NA
+PJ100791	QHFRWW 	C48H58N14O8	958.4562	NA	PeJP	NA	NA
+PJ100792	GAHFRWW 	C48H58N14O8	958.4563	NA	PeJP	NA	NA
+PJ100793	SSSTEHRR 	C36H62N16O15	958.4581	NA	PeJP	NA	NA
+PJ100794	APPTKEMW 	C44H66N10O12S	958.4583	NA	PeJP	NA	NA
+PJ100795	APLFYYW 	C52H62N8O10	958.4589	NA	PeJP	NA	NA
+PJ100796	TQMMHRR 	C37H66N16O10S2	958.459	NA	PeJP	NA	NA
+PJ100797	VLMHHHW 	C45H62N14O8S	958.4596	NA	PeJP	NA	NA
+PJ100798	SSSSSTLKY 	C40H66N10O17	958.4608	NA	PeJP	NA	NA
+PJ100799	GTTKKMMY 	C41H70N10O12S2	958.4616	NA	PeJP	NA	NA
+PJ100800	SVLLEMMH 	C41H70N10O12S2	958.4617	NA	PeJP	NA	NA
+8328	ACE inhibitor	VYNEGLPAP	958.4619	Tripeptides  ;SYN:3-[[2-amino-2-[(carboxymethyl)carbamoyl]ethyl]dithio]-Alanine; L-cysteinyl-Glycine disulfide; Cystinylglycine; Cystinyl-GLY; (R)-N-(3-((2-amino-2-carboxyethyl)dithio)-ala)-GlyH2Blood	Inhouse_peptide	NA	peptide
+PJ100801	SPEERRW 	C41H62N14O13	958.4621	NA	PeJP	NA	NA
+PJ100802	GGGGGGGGGLKW 	C41H62N14O13	958.4622	NA	PeJP	NA	NA
+PJ100803	ALLMYYW 	C49H66N8O10S	958.4623	NA	PeJP	NA	NA
+PJ100804	AKMMHRW 	C42H66N14O8S2	958.463	NA	PeJP	NA	NA
+PJ100805	AALHHHHH 	C42H58N18O9	958.4635	NA	PeJP	NA	NA
+PJ100806	GTTLLEYY 	C45H66N8O15	958.4648	NA	PeJP	NA	NA
+PJ100807	AAPEEMRR 	C38H66N14O13S	958.4655	NA	PeJP	NA	NA
+PJ100808	AALLMMFY 	C46H70N8O10S2	958.4657	NA	PeJP	NA	NA
+PJ100809	SPVERWW 	C46H62N12O11	958.4661	NA	PeJP	NA	NA
+PJ100810	AAAAAVNWW 	C46H62N12O11	958.4662	NA	PeJP	NA	NA
+PJ100811	GPPCHHRR 	C39H62N18O9S	958.4668	NA	PeJP	NA	NA
+PJ100812	PVLLEEEM 	C42H70N8O15S	958.4682	NA	PeJP	NA	NA
+PJ100813	NNDERRR 	C35H62N18O14	958.4693	NA	PeJP	NA	NA
+PJ100814	GGGGDERRR 	C35H62N18O14	958.4694	NA	PeJP	NA	NA
+PJ100815	PLQEMRW 	C43H66N12O11S	958.4695	NA	PeJP	NA	NA
+MJ098678	Napavin 	C51H62N10O9	958.470123	NA	MeJP	NA	NA
+PJ100816	APTLWWW 	C51H62N10O9	958.4702	NA	PeJP	NA	NA
+PJ100817	APTKEEER 	C39H66N12O16	958.472	NA	PeJP	NA	NA
+PJ100818	APPKEMMR 	C40H70N12O11S2	958.4729	NA	PeJP	NA	NA
+PJ100819	ANQERRW 	C40H62N16O12	958.4733	NA	PeJP	NA	NA
+PJ100820	GQQERRW 	C40H62N16O12	958.4734	NA	PeJP	NA	NA
+PJ100821	PVLQMWW 	C48H66N10O9S	958.4735	NA	PeJP	NA	NA
+PJ100822	VHHHHHR 	C41H58N20O8	958.4747	NA	PeJP	NA	NA
+PJ100823	GPTLKEEW 	C44H66N10O14	958.476	NA	PeJP	NA	NA
+PJ100824	AAAALLDEW 	C44H66N10O14	958.4761	NA	PeJP	NA	NA
+PJ100825	PDEMRRR 	C37H66N16O12S	958.4767	NA	PeJP	NA	NA
+PJ100826	GPPLKMMW 	C45H70N10O9S2	958.4769	NA	PeJP	NA	NA
+MJ098679	12-Oleanene-3,21,22,24-tetrol, 3-O-[?-D-Glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-O-?-L-arabinopyranoside 	C47H74O20	958.477344	NA	MeJP	NA	NA
+MJ098680	17,22,24-Trihydroxy-28,29-hopanedioic acid, 28?22 Lactone, 24-O-[?-L-arabinopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C47H74O20	958.477344	NA	MeJP	NA	NA
+PJ100827	GVQQRWW 	C45H62N14O10	958.4774	NA	PeJP	NA	NA
+PJ100828	STTTKKMY 	C41H70N10O14S	958.4794	NA	PeJP	NA	NA
+PJ100829	TTLLYYW 	C49H66N8O12	958.48	NA	PeJP	NA	NA
+PJ100830	GAPLLYYY 	C49H66N8O12	958.4801	NA	PeJP	NA	NA
+PJ100831	KKKMMMY 	C42H74N10O9S3	958.4803	NA	PeJP	NA	NA
+7748	ACE inhibitor from Yellowfish sole frame	MIFPGGPQL	958.4804	antioxidative	Inhouse_peptide	NA	peptide
+PJ100832	TTKMHRW 	C42H66N14O10S	958.4807	NA	PeJP	NA	NA
+PJ100833	PVDMRRW 	C42H66N14O10S	958.4808	NA	PeJP	NA	NA
+PJ100834	APPFRWW 	C50H62N12O8	958.4814	NA	PeJP	NA	NA
+PJ100835	APTTEERR 	C38H66N14O15	958.4832	NA	PeJP	NA	NA
+PJ100836	LQEEERR 	C38H66N14O15	958.4833	NA	PeJP	NA	NA
+PJ100837	LLKEMYY 	C46H70N8O12S	958.4834	NA	PeJP	NA	NA
+8095	peptide derived from rice endosperm protein	FRDEHKK	958.4839	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ100838	APPTMMRR 	C39H70N14O10S2	958.4841	NA	PeJP	NA	NA
+PJ100839	GNDRRRW 	C39H62N18O11	958.4846	NA	PeJP	NA	NA
+PJ100840	APLMRWW 	C47H66N12O8S	958.4848	NA	PeJP	NA	NA
+PJ100841	VVLLEEEE 	C42H70N8O17	958.4859	NA	PeJP	NA	NA
+PJ100842	VLQEERW 	C43H66N12O13	958.4873	NA	PeJP	NA	NA
+PJ100843	GSPCQRRR 	C36H66N18O11S	958.488	NA	PeJP	NA	NA
+PJ100844	VKKMMHW 	C44H70N12O8S2	958.4881	NA	PeJP	NA	NA
+PJ100845	QQRRWW 	C44H62N16O9	958.4886	NA	PeJP	NA	NA
+PJ100846	APLDKEMR 	C40H70N12O13S	958.4906	NA	PeJP	NA	NA
+PJ100847	GPLKEEMR 	C40H70N12O13S	958.4907	NA	PeJP	NA	NA
+PJ100848	PTLKEWW 	C48H66N10O11	958.4913	NA	PeJP	NA	NA
+PJ100849	PCNKRRW 	C41H66N16O9S	958.492	NA	PeJP	NA	NA
+PJ100850	KHFRWW 	C49H62N14O7	958.4926	NA	PeJP	NA	NA
+PJ100851	VDEERRR 	C37H66N16O14	958.4945	NA	PeJP	NA	NA
+PJ100852	VQKKMYY 	C45H70N10O11S	958.4946	NA	PeJP	NA	NA
+PJ100853	GPVLKEMW 	C45H70N10O11S	958.4947	NA	PeJP	NA	NA
+PJ100854	ALLFFYW 	C53H66N8O9	958.4953	NA	PeJP	NA	NA
+PJ100855	TKMMHRR 	C38H70N16O9S2	958.4954	NA	PeJP	NA	NA
+PJ100856	SPLKKEEE 	C41H70N10O16	958.4972	NA	PeJP	NA	NA
+PJ100857	TTLLLMMH 	C42H74N10O11S2	958.498	NA	PeJP	NA	NA
+PJ100858	GGGAPLLLMM 	C42H74N10O11S2	958.4981	NA	PeJP	NA	NA
+PJ100859	ALEERRW 	C42H66N14O12	958.4985	NA	PeJP	NA	NA
+PJ100860	AALLMFFF 	C50H70N8O9S	958.4987	NA	PeJP	NA	NA
+PJ100861	APHHRRW 	C43H62N18O8	958.4999	NA	PeJP	NA	NA
+PJ100862	SSTLLLYY 	C46H70N8O14	958.5012	NA	PeJP	NA	NA
+PJ100863	GPTLEMRR 	C39H70N14O12S	958.5019	NA	PeJP	NA	NA
+MJ098681	Aedes aegypti Allatostatins; Allatostatin 2 	C47H66N12O10	958.502486	NA	MeJP	NA	NA
+PJ100864	GLLERWW 	C47H66N12O10	958.5025	NA	PeJP	NA	NA
+PJ100865	GMHFRRR 	C40H66N18O8S	958.5032	NA	PeJP	NA	NA
+PJ100866	SQQERRR 	C36H66N18O13	958.5057	NA	PeJP	NA	NA
+PJ100867	PLKEMRW 	C44H70N12O10S	958.5059	NA	PeJP	NA	NA
+PJ100868	GVLLWWW 	C52H66N10O8	958.5066	NA	PeJP	NA	NA
+PJ100869	GVLKEEER 	C40H70N12O15	958.5084	NA	PeJP	NA	NA
+PJ100870	SPPLKMMR 	C41H74N12O10S2	958.5093	NA	PeJP	NA	NA
+PJ100871	GQKERRW 	C41H66N16O11	958.5097	NA	PeJP	NA	NA
+PJ100872	GGAKERRW 	C41H66N16O11	958.5098	NA	PeJP	NA	NA
+PJ100873	PVLKMWW 	C49H70N10O8S	958.5099	NA	PeJP	NA	NA
+PJ100874	AALLKEEW 	C45H70N10O13	958.5124	NA	PeJP	NA	NA
+PJ100875	GSPQKMRR 	C38H70N16O11S	958.5131	NA	PeJP	NA	NA
+PJ100876	KKKMMFF 	C46H74N10O8S2	958.5133	NA	PeJP	NA	NA
+C15428	Asiaticoside	C48H78O19	958.5137	NA	KEGG	NA	NA
+MJ098682	11,13(18)-Oleanadiene-3,16,21,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098683	11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098684	11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-fucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098685	11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098686	11,13(18)-Oleanadiene-3,16,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098687	12-Oleanene-3,16,22,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098688	12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-L-rhamnopyranoside 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098689	12-Oleanene-3,16,28-triol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranoside 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098690	12-Oleanene-3,21,22,24-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098691	12-Oleanene-3,21,22,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098692	12-Oleanene-3,22,24,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098693	12-Oleanene-3,22,24,30-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098694	12-Oleanene-3,22,24,30-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098695	12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098696	12-Oleanene-3,22,24-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098697	13,28-Epoxy-11-oleanene-3,16,21,23-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098698	13,28-Epoxy-11-oleanene-3,16,23,29-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098699	13,28-Epoxy-11-oleanene-3,16,23,30-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098700	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098701	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098702	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-L-Rhamnopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098703	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098704	2,3,23-Trihydroxy-12-ursen-28-oic acid, [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098705	2,3,23-Trihydroxy-12-ursen-28-oic acid, [?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098706	2,3,24-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl]ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098707	2,3,24-Trihydroxy-12-ursen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098708	2,3-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098709	2,3-Dihydroxy-12-oleanen-28-oic acid, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098710	21,23-Epoxycycloart-24-ene-3,21,22,29-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 21-O-?-D-glucopyranoside 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098711	3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098712	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098713	3,16-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098714	3,19-Dihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098715	3,23,29-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098716	3,23,29-Trihydroxy-12-oleanen-28-oic acid; 3?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl] ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098717	3,25-Dihydroxycucurbit-5-ene-11,24-dione, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 25-?-D-glucopyranoside 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098718	3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098719	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098720	Hederagenin 3-glycosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-galactopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098721	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098722	Hovenolactone; 3-O-[?-D-Glucopyranosyl(1?3)[?-L-rhamnopyranosyl(1?2)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098723	Hovenolactone; 3-O-[?-L-Rhamnopyranosyl(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098724	Mabiogenin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 15-O-?-D-glucopyranoside 	C48H78O19	958.51373	NA	MeJP	NA	NA
+MJ098725	Mabiogenin; 3-O-[?-L-Rhamnopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C48H78O19	958.51373	NA	MeJP	NA	NA
+PJ100877	GVQKRWW 	C46H66N14O9	958.5138	NA	PeJP	NA	NA
+PJ100878	PVVKKEEM 	C42H74N10O13S	958.5158	NA	PeJP	NA	NA
+PJ100879	PLLKYYY 	C50H70N8O11	958.5164	NA	PeJP	NA	NA
+PJ100880	PPPLLEFF 	C50H70N8O11	958.5165	NA	PeJP	NA	NA
+PJ100881	SNDRRRR 	C35H66N20O12	958.517	NA	PeJP	NA	NA
+PJ100882	PTLMRRW 	C43H70N14O9S	958.5171	NA	PeJP	NA	NA
+PJ100883	LLRWWW 	C51H66N12O7	958.5178	NA	PeJP	NA	NA
+PJ100884	LKEEERR 	C39H70N14O14	958.5196	NA	PeJP	NA	NA
+PJ100885	GGGVKKEER 	C39H70N14O14	958.5197	NA	PeJP	NA	NA
+PJ100886	PPLLLEMF 	C47H74N8O11S	958.5198	NA	PeJP	NA	NA
+PJ100887	GPVLMMRR 	C40H74N14O9S2	958.5205	NA	PeJP	NA	NA
+PJ100888	GTQRRRW 	C40H66N18O10	958.521	NA	PeJP	NA	NA
+PJ100889	TLLLLEEE 	C43H74N8O16	958.5223	NA	PeJP	NA	NA
+PJ100890	PLLLLEMM 	C44H78N8O11S2	958.5232	NA	PeJP	NA	NA
+PJ100891	SSPTLLRW 	C44H70N12O12	958.5236	NA	PeJP	NA	NA
+PJ100892	VLKEERW 	C44H70N12O12	958.5237	NA	PeJP	NA	NA
+PJ100893	VNQMRRR 	C37H70N18O10S	958.5243	NA	PeJP	NA	NA
+PJ100894	GGVQMRRR 	C37H70N18O10S	958.5244	NA	PeJP	NA	NA
+PJ100895	QKRRWW 	C45H66N16O8	958.525	NA	PeJP	NA	NA
+PJ100896	SPVLKEMR 	C41H74N12O12S	958.527	NA	PeJP	NA	NA
+PJ100897	GGGGGGLLLKM 	C41H74N12O12S	958.5271	NA	PeJP	NA	NA
+PJ100898	VVLKEWW 	C49H70N10O10	958.5277	NA	PeJP	NA	NA
+PJ100899	PPMFRRR 	C42H70N16O8S	958.5284	NA	PeJP	NA	NA
+PJ100900	TLEERRR 	C38H70N16O13	958.5309	NA	PeJP	NA	NA
+PJ100901	VKKKMYY 	C46H74N10O10S	958.531	NA	PeJP	NA	NA
+PJ100902	APTLLKMW 	C46H74N10O10S	958.5311	NA	PeJP	NA	NA
+PJ100903	PLMMRRR 	C39H74N16O8S2	958.5317	NA	PeJP	NA	NA
+PJ100904	PTHHRRR 	C39H66N20O9	958.5322	NA	PeJP	NA	NA
+PJ100905	ASPTTLLKE 	C42H74N10O15	958.5335	NA	PeJP	NA	NA
+PJ100906	ALLKKEEE 	C42H74N10O15	958.5336	NA	PeJP	NA	NA
+PJ100907	PVLLQKMM 	C43H78N10O10S2	958.5344	NA	PeJP	NA	NA
+PJ100908	SLLERRW 	C43H70N14O11	958.5349	NA	PeJP	NA	NA
+PJ100909	GQMRRRR 	C36H70N20O9S	958.5356	NA	PeJP	NA	NA
+MJ098726	Micropeptin B 	C47H74N8O13	958.537534	NA	MeJP	NA	NA
+PJ100910	PVLLLEEF 	C47H74N8O13	958.5376	NA	PeJP	NA	NA
+PJ100911	AALLEMRR 	C40H74N14O11S	958.5383	NA	PeJP	NA	NA
+PJ100912	SVLLRWW 	C48H70N12O9	958.5389	NA	PeJP	NA	NA
+PJ100913	VLLLLEEM 	C44H78N8O13S	958.541	NA	PeJP	NA	NA
+PJ100914	SQKERRR 	C37H70N18O12	958.5421	NA	PeJP	NA	NA
+PJ100915	LLLQMRW 	C45H74N12O9S	958.5423	NA	PeJP	NA	NA
+PJ100916	ATLLKEER 	C41H74N12O14	958.5448	NA	PeJP	NA	NA
+PJ100917	APLLKMMR 	C42H78N12O9S2	958.5457	NA	PeJP	NA	NA
+PJ100918	GKKERRW 	C42H70N16O10	958.5461	NA	PeJP	NA	NA
+PJ100919	GCRRRRR 	C35H70N22O8S	958.5468	NA	PeJP	NA	NA
+PJ100920	GTLLLKEW 	C46H74N10O12	958.5488	NA	PeJP	NA	NA
+PJ100921	VLEMRRR 	C39H74N16O10S	958.5495	NA	PeJP	NA	NA
+MJ098727	Pregn-5-ene-3,11,12,14,20-pentol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H82O18	958.550115	NA	MeJP	NA	NA
+MJ098728	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Cymaropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H82O18	958.550115	NA	MeJP	NA	NA
+MJ098729	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[?-D-Oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H82O18	958.550115	NA	MeJP	NA	NA
+PJ100922	GVKKRWW 	C47H70N14O8	958.5502	NA	PeJP	NA	NA
+PJ100923	PTLLKKEM 	C43H78N10O12S	958.5522	NA	PeJP	NA	NA
+PJ100924	LLLKFYY 	C51H74N8O10	958.5528	NA	PeJP	NA	NA
+PJ100925	STQRRRR 	C36H70N20O11	958.5533	NA	PeJP	NA	NA
+PJ100926	VVLMRRW 	C44H74N14O8S	958.5535	NA	PeJP	NA	NA
+PJ100927	ATTLLERR 	C40H74N14O13	958.556	NA	PeJP	NA	NA
+PJ100928	PPLLLLMY 	C48H78N8O10S	958.5562	NA	PeJP	NA	NA
+PJ100929	GTKRRRW 	C41H70N18O9	958.5574	NA	PeJP	NA	NA
+PJ100930	GTTLLLRW 	C45H74N12O11	958.56	NA	PeJP	NA	NA
+PJ100931	GALKKKEW 	C45H74N12O11	958.5601	NA	PeJP	NA	NA
+PJ100932	VNKMRRR 	C38H74N18O9S	958.5607	NA	PeJP	NA	NA
+PJ100933	KKRRWW 	C46H70N16O7	958.5614	NA	PeJP	NA	NA
+PJ100934	GLLLKEMR 	C42H78N12O11S	958.5634	NA	PeJP	NA	NA
+PJ100935	TLLLKWW 	C50H74N10O9	958.5641	NA	PeJP	NA	NA
+MJ098730	1,2-Di-O-acylglycerols; Glycerol 2-(5,8,11,14,17-eicosapentaenoate) 1-(6,9,12,15-octadecatetraenoate), 3-O-[?-D-Galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C53H82O15	958.565371	NA	MeJP	NA	NA
+PJ100936	SSPTKKRR 	C39H74N16O12	958.5672	NA	PeJP	NA	NA
+PJ100937	DKKKERR 	C39H74N16O12	958.5673	NA	PeJP	NA	NA
+PJ100938	GVLLLKMW 	C47H78N10O9S	958.5674	NA	PeJP	NA	NA
+PJ100939	VVHHRRR 	C40H70N20O8	958.5686	NA	PeJP	NA	NA
+PJ100940	SLLLKKEE 	C43H78N10O14	958.5699	NA	PeJP	NA	NA
+PJ100941	PVLLKKMM 	C44H82N10O9S2	958.5708	NA	PeJP	NA	NA
+PJ100942	VDKKKRW 	C44H74N14O10	958.5713	NA	PeJP	NA	NA
+PJ100943	GKMRRRR 	C37H74N20O8S	958.572	NA	PeJP	NA	NA
+PJ100944	PVLLLLEY 	C48H78N8O12	958.574	NA	PeJP	NA	NA
+PJ100945	ASLLLMRR 	C41H78N14O10S	958.5746	NA	PeJP	NA	NA
+PJ100946	GTLLLMRR 	C41H78N14O10S	958.5747	NA	PeJP	NA	NA
+PJ100947	ALKKKWW 	C49H74N12O8	958.5753	NA	PeJP	NA	NA
+PJ100948	SKKERRR 	C38H74N18O11	958.5785	NA	PeJP	NA	NA
+PJ100949	LLLKMRW 	C46H78N12O8S	958.5787	NA	PeJP	NA	NA
+PJ100950	STLLLKER 	C42H78N12O13	958.5812	NA	PeJP	NA	NA
+PJ100951	SVKKRRW 	C43H74N16O9	958.5825	NA	PeJP	NA	NA
+PJ100952	SSLLLLKW 	C47H78N10O11	958.5852	NA	PeJP	NA	NA
+PJ100953	LQKKMRR 	C40H78N16O9S	958.5859	NA	PeJP	NA	NA
+MJ098731	Septamycin; 20-Methyl, 27S-methoxy 	C50H86O17	958.586501	NA	MeJP	NA	NA
+PJ100954	VVLLKKEM 	C44H82N10O11S	958.5886	NA	PeJP	NA	NA
+PJ100955	PPLLLLFF 	C52H78N8O9	958.5892	NA	PeJP	NA	NA
+PJ100956	STKRRRR 	C37H74N20O10	958.5897	NA	PeJP	NA	NA
+PJ100957	STTLLLRR 	C41H78N14O12	958.5924	NA	PeJP	NA	NA
+PJ100958	PLLLLLMF 	C49H82N8O9S	958.5926	NA	PeJP	NA	NA
+PJ100959	LLKHHRR 	C42H74N18O8	958.5938	NA	PeJP	NA	NA
+PJ100960	LLLLLLMM 	C46H86N8O9S2	958.596	NA	PeJP	NA	NA
+PJ100961	LKKKKEW 	C46H78N12O10	958.5964	NA	PeJP	NA	NA
+PJ100962	CLKKRRR 	C39H78N18O8S	958.5971	NA	PeJP	NA	NA
+PJ100963	SVLLLKMR 	C43H82N12O10S	958.5998	NA	PeJP	NA	NA
+PJ100964	GTTLKKRR 	C40H78N16O11	958.6036	NA	PeJP	NA	NA
+PJ100965	GTTTLLLLK 	C44H82N10O13	958.6063	NA	PeJP	NA	NA
+PJ100966	TLKKKRW 	C45H78N14O9	958.6077	NA	PeJP	NA	NA
+PJ100967	VLLLLLEF 	C49H82N8O11	958.6104	NA	PeJP	NA	NA
+PJ100968	GVLKKKMR 	C42H82N14O9S	958.611	NA	PeJP	NA	NA
+PJ100969	SVLKKKKE 	C43H82N12O12	958.6176	NA	PeJP	NA	NA
+PJ100970	VLLFRRR 	C44H78N16O8	958.6189	NA	PeJP	NA	NA
+PJ100971	PVVLLKKY 	C48H82N10O10	958.6216	NA	PeJP	NA	NA
+PJ100972	LKKKMRR 	C41H82N16O8S	958.6223	NA	PeJP	NA	NA
+PJ100973	TLLLLKKM 	C45H86N10O10S	958.625	NA	PeJP	NA	NA
+PJ100974	SSLLKKKR 	C42H82N14O11	958.6288	NA	PeJP	NA	NA
+PJ100975	GLLLLKFR 	C47H82N12O9	958.6328	NA	PeJP	NA	NA
+PJ100976	ALLKKKKM 	C44H86N12O9S	958.6362	NA	PeJP	NA	NA
+PJ100977	GSKKKKKR 	C41H82N16O10	958.64	NA	PeJP	NA	NA
+PJ100978	VLLLLLLY 	C50H86N8O10	958.6467	NA	PeJP	NA	NA
+PJ100979	TTLLKKKK 	C44H86N12O11	958.6539	NA	PeJP	NA	NA
+PJ100980	VVLLLKKF 	C49H86N10O9	958.658	NA	PeJP	NA	NA
+PJ100981	ATKKKKKK 	C43H86N14O10	958.6652	NA	PeJP	NA	NA
+HMDB05420	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H106O6	958.79895	http://www.hmdb.ca/metabolites/HMDB05420	HMDB	NA	NA
+HMDB05420	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H106O6	958.79895	HMDB05420	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05420	TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H106O6	958.79895	NA	HMDB2010	NA	NA
+3235	bombolitin III from venom of bumble bee (Megabombu	IKIMDILAKLGKVLAHVG	959.08165	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04345	5-hydroxy-feruloyl-CoA []	C31H44N7O20P3S1	959.157467	NA	metacyc	NA	NA
+C12203	5-Hydroxyferuloyl-CoA	C31H44N7O20P3S	959.1575	NA	KEGG	NA	NA
+PJ100982	GCCCCCCCY 	C32H49N9O11S7	959.1597	NA	PeJP	NA	NA
+PJ100983	GCCCCCCEH 	C31H49N11O12S6	959.1887	NA	PeJP	NA	NA
+PJ100984	GCCCDDDDD 	C31H45N9O20S3	959.1943	NA	PeJP	NA	NA
+PJ100985	CCCCCCHW 	C35H49N11O9S6	959.2039	NA	PeJP	NA	NA
+PJ100986	SSCCCCCDH 	C31H49N11O14S5	959.2064	NA	PeJP	NA	NA
+PJ100987	SPCCCCDDD 	C32H49N9O17S4	959.213	NA	PeJP	NA	NA
+PJ100988	PPCCCCCCE 	C33H53N9O12S6	959.2138	NA	PeJP	NA	NA
+PJ100989	GCCCCNNDE 	C31H49N11O16S4	959.2242	NA	PeJP	NA	NA
+PJ100990	GTCCCCCMH 	C32H53N11O11S6	959.2251	NA	PeJP	NA	NA
+C16339	(+)-7-Isojasmonic acid CoA	C33H52N7O18P3S	959.2302	NA	KEGG	NA	NA
+PJ100991	GSCCDDDDM 	C32H49N9O19S3	959.2307	NA	PeJP	NA	NA
+PJ100992	GPCCCCDEM 	C33H53N9O14S5	959.2316	NA	PeJP	NA	NA
+PJ100993	CCCCNNDW 	C35H49N11O13S4	959.2395	NA	PeJP	NA	NA
+PJ100994	SSCCCNNDD 	C31H49N11O18S3	959.242	NA	PeJP	NA	NA
+PJ100995	SSSCCCCMH 	C32H53N11O13S5	959.2428	NA	PeJP	NA	NA
+FL7AAAGL0041	Pelargonidin 3-(6''-p-coumarylsambubioside)-5-(6'''-malonylglucoside)	C44H47O24	959.24572	175738-01-9	knapsack	NA	NA
+PJ100996	SCCCDDEW 	C36H49N9O16S3	959.246	NA	PeJP	NA	NA
+PJ100997	PCCCCDMW 	C37H53N9O11S5	959.2469	NA	PeJP	NA	NA
+PJ100998	SSSCCDDDE 	C32H49N9O21S2	959.2485	NA	PeJP	NA	NA
+PJ100999	CCNDDEMM 	C33H53N9O16S4	959.2494	NA	PeJP	NA	NA
+PJ101000	PPTCCCCCM 	C34H57N9O11S6	959.2502	NA	PeJP	NA	NA
+PJ101001	CCCCNMHF 	C36H53N11O10S5	959.2581	NA	PeJP	NA	NA
+PJ101002	CCCDDDMR 	C32H53N11O15S4	959.2606	NA	PeJP	NA	NA
+PJ101003	CCNDDDEF 	C36H49N9O18S2	959.2637	NA	PeJP	NA	NA
+PJ101004	GGCCDDDEF 	C36H49N9O18S2	959.2638	NA	PeJP	NA	NA
+PJ101005	GCCDDMMW 	C37H53N9O13S4	959.2646	NA	PeJP	NA	NA
+PJ101006	GSSCDDDMM 	C33H53N9O18S3	959.2671	NA	PeJP	NA	NA
+PJ101007	GSPCCCEMM 	C34H57N9O13S5	959.268	NA	PeJP	NA	NA
+PJ101008	CCCNDEHH 	C34H49N13O14S3	959.2685	NA	PeJP	NA	NA
+PJ101009	GSCCCCNDR 	C31H53N13O14S4	959.2718	NA	PeJP	NA	NA
+PJ101010	NDDDDDDH 	C34H45N11O22	959.2741	NA	PeJP	NA	NA
+PJ101011	CCNNNDDY 	C35H49N11O17S2	959.275	NA	PeJP	NA	NA
+PJ101012	SCCCNNMW 	C36H53N11O12S4	959.2758	NA	PeJP	NA	NA
+PJ101013	GGGGSCCCMW 	C36H53N11O12S4	959.2759	NA	PeJP	NA	NA
+PJ101014	SSSCCNNDM 	C32H53N11O17S3	959.2783	NA	PeJP	NA	NA
+PJ101015	GGGGSSSCCDM 	C32H53N11O17S3	959.2784	NA	PeJP	NA	NA
+PJ101016	GCCDDDFW 	C40H49N9O15S2	959.279	NA	PeJP	NA	NA
+PJ101017	CCNNNMMM 	C33H57N11O12S5	959.2792	NA	PeJP	NA	NA
+PJ101018	CCCEMWW 	C41H53N9O10S4	959.2799	NA	PeJP	NA	NA
+PJ101019	SCNDDDEY 	C36H49N9O20S	959.2815	NA	PeJP	NA	NA
+PJ101020	SSCCDEMW 	C37H53N9O15S3	959.2824	NA	PeJP	NA	NA
+PJ101021	SPCCCMMW 	C38H57N9O10S5	959.2832	NA	PeJP	NA	NA
+PJ101022	GCCCDHHW 	C38H49N13O11S3	959.2837	NA	PeJP	NA	NA
+PJ101023	SSSSCDDEM 	C33H53N9O20S2	959.2849	NA	PeJP	NA	NA
+PJ101024	SCNDEMMM 	C34H57N9O15S4	959.2857	NA	PeJP	NA	NA
+PJ101025	GSSCCDDHH 	C34H49N13O16S2	959.2862	NA	PeJP	NA	NA
+PJ101026	CCDMYYY 	C42H53N7O13S3	959.2864	NA	PeJP	NA	NA
+PJ101027	PCCNMMMM 	C35H61N9O10S6	959.2866	NA	PeJP	NA	NA
+PJ101028	GPTCCCCHH 	C35H53N13O11S4	959.2871	NA	PeJP	NA	NA
+PJ101029	CCCCNQMR 	C32H57N13O11S5	959.2904	NA	PeJP	NA	NA
+PJ101030	GGCCCCQMR 	C32H57N13O11S5	959.2905	NA	PeJP	NA	NA
+PJ101031	GSPCDDDDH 	C35H49N11O19S	959.2927	NA	PeJP	NA	NA
+PJ101032	GSSSCCCQW 	C36H53N11O14S3	959.2936	NA	PeJP	NA	NA
+PJ101033	GSSSSSCCNE 	C32H53N11O19S2	959.2961	NA	PeJP	NA	NA
+PJ101034	GSCDDDYW 	C40H49N9O17S	959.2968	NA	PeJP	NA	NA
+PJ101035	SCCDDMMR 	C33H57N11O14S4	959.297	NA	PeJP	NA	NA
+PJ101036	GPCCCEYW 	C41H53N9O12S3	959.2976	NA	PeJP	NA	NA
+PJ101037	GSSSDDDDY 	C36H49N9O22	959.2993	NA	PeJP	NA	NA
+PJ101038	GNDDDMMY 	C37H53N9O17S2	959.3001	NA	PeJP	NA	NA
+PJ101039	GSCDMMMW 	C38H57N9O12S4	959.301	NA	PeJP	NA	NA
+PJ101040	CCCCCNRR 	C31H57N15O10S5	959.3017	NA	PeJP	NA	NA
+PJ101041	GSSSDDMMM 	C34H57N9O17S3	959.3035	NA	PeJP	NA	NA
+PJ101042	CNNNDDEH 	C34H49N13O18S	959.304	NA	PeJP	NA	NA
+PJ101043	GNDMMMMM 	C35H61N9O12S5	959.3044	NA	PeJP	NA	NA
+PJ101044	SCCNEMHH 	C35H53N13O13S3	959.3048	NA	PeJP	NA	NA
+PJ101045	CCMMFYY 	C43H57N7O10S4	959.305	NA	PeJP	NA	NA
+PJ101046	GSSCCCNMR 	C32H57N13O13S4	959.3082	NA	PeJP	NA	NA
+PJ101047	GCCCNQFW 	C40H53N11O11S3	959.3089	NA	PeJP	NA	NA
+PJ101048	SNDDDEEH 	C35H49N11O21	959.3105	NA	PeJP	NA	NA
+PJ101049	SSSSSCCNW 	C36H53N11O16S2	959.3113	NA	PeJP	NA	NA
+PJ101050	GCCDDERY 	C36H53N11O16S2	959.3114	NA	PeJP	NA	NA
+PJ101051	SCCCCQKW 	C37H57N11O11S4	959.3122	NA	PeJP	NA	NA
+PJ101052	PCCCYWW 	C45H53N9O9S3	959.3129	NA	PeJP	NA	NA
+PJ101053	SSSSSSSCND 	C32H53N11O21S	959.3138	NA	PeJP	NA	NA
+PJ101054	GGSSSSSSSCD 	C32H53N11O21S	959.3139	NA	PeJP	NA	NA
+PJ101055	GNDDDDFY 	C40H49N9O19	959.3145	NA	PeJP	NA	NA
+PJ101056	SSSSCNNMM 	C33H57N11O16S3	959.3147	NA	PeJP	NA	NA
+PJ101057	CNDEMYW 	C41H53N9O14S2	959.3154	NA	PeJP	NA	NA
+PJ101058	GCCEMMMR 	C34H61N11O11S5	959.3156	NA	PeJP	NA	NA
+PJ101059	SCCCDHHR 	C34H53N15O12S3	959.3161	NA	PeJP	NA	NA
+PJ101060	TCCMMWW 	C42H57N9O9S4	959.3162	NA	PeJP	NA	NA
+PJ101061	APCCCMFW 	C42H57N9O9S4	959.3163	NA	PeJP	NA	NA
+PJ101062	SSNDDEMY 	C37H53N9O19S	959.3179	NA	PeJP	NA	NA
+PJ101063	SSSCEMMW 	C38H57N9O14S3	959.3187	NA	PeJP	NA	NA
+PJ101064	GGSPCDMMY 	C38H57N9O14S3	959.3188	NA	PeJP	NA	NA
+PJ101065	GCNNDDHW 	C38H49N13O15S	959.3192	NA	PeJP	NA	NA
+PJ101066	CCDFFYY 	C46H53N7O12S2	959.3194	NA	PeJP	NA	NA
+PJ101067	CQMMMMW 	C39H61N9O9S5	959.3196	NA	PeJP	NA	NA
+PJ101068	GSCCMHHW 	C39H53N13O10S3	959.3201	NA	PeJP	NA	NA
+PJ101069	SSSSSDEMM 	C34H57N9O19S2	959.3212	NA	PeJP	NA	NA
+PJ101070	GSSNNDDDH 	C34H49N13O20	959.3217	NA	PeJP	NA	NA
+PJ101071	SSNEMMMM 	C35H61N9O14S4	959.3221	NA	PeJP	NA	NA
+PJ101072	PCCDDDHR 	C35H53N13O15S2	959.3226	NA	PeJP	NA	NA
+PJ101073	SCMMYYY 	C43H57N7O12S3	959.3228	NA	PeJP	NA	NA
+PJ101074	GCNMMMHH 	C36H57N13O10S4	959.3235	NA	PeJP	NA	NA
+PJ101075	EEEEMMY 	C39H57N7O17S2	959.3253	NA	PeJP	NA	NA
+PJ101076	GSDDDEHW 	C39H49N11O18	959.3258	NA	PeJP	NA	NA
+PJ101077	SSSSCCCQR 	C32H57N13O15S3	959.326	NA	PeJP	NA	NA
+PJ101078	CCDDRYW 	C40H53N11O13S2	959.3266	NA	PeJP	NA	NA
+PJ101079	CCCCNKMR 	C33H61N13O10S5	959.3268	NA	PeJP	NA	NA
+PJ101080	SSCDDDRY 	C36H53N11O18S	959.3291	NA	PeJP	NA	NA
+PJ101081	GSSSCCCKW 	C37H57N11O13S3	959.33	NA	PeJP	NA	NA
+PJ101082	GCDMYWW 	C45H53N9O11S2	959.3306	NA	PeJP	NA	NA
+PJ101083	CCMMMRW 	C38H61N11O8S5	959.3309	NA	PeJP	NA	NA
+PJ101084	GSSSSSSCQM 	C33H57N11O18S2	959.3325	NA	PeJP	NA	NA
+PJ101085	GSSDDMYW 	C41H53N9O16S	959.3331	NA	PeJP	NA	NA
+PJ101086	GGGDDDMFF 	C41H53N9O16S	959.3332	NA	PeJP	NA	NA
+PJ101087	SSCDMMMR 	C34H61N11O13S4	959.3333	NA	PeJP	NA	NA
+PJ101088	TTCCDMMR 	C34H61N11O13S4	959.3334	NA	PeJP	NA	NA
+PJ101089	CNNNNNMH 	C34H53N15O14S2	959.3338	NA	PeJP	NA	NA
+PJ101090	GGGGGGGGCNMH 	C34H53N15O14S2	959.3339	NA	PeJP	NA	NA
+PJ101091	GPTCCMYW 	C42H57N9O11S3	959.334	NA	PeJP	NA	NA
+PJ101092	ACCCMHHR 	C35H57N15O9S4	959.3347	NA	PeJP	NA	NA
+PJ101093	GSSSSDEEY 	C37H53N9O21	959.3356	NA	PeJP	NA	NA
+PJ101094	GSPPDDDEE 	C37H53N9O21	959.3357	NA	PeJP	NA	NA
+PJ101095	GSNEEMMY 	C38H57N9O16S2	959.3365	NA	PeJP	NA	NA
+PJ101096	GCEYYYY 	C46H53N7O14S	959.3371	NA	PeJP	NA	NA
+PJ101097	GSSMMMMW 	C39H61N9O11S4	959.3374	NA	PeJP	NA	NA
+PJ101098	SSTCCHHW 	C39H53N13O12S2	959.3378	NA	PeJP	NA	NA
+PJ101099	GGSPCCNHW 	C39H53N13O12S2	959.3379	NA	PeJP	NA	NA
+PJ101100	CCMFFFY 	C47H57N7O9S3	959.338	NA	PeJP	NA	NA
+PJ101101	DEEEEFY 	C42H53N7O19	959.3397	NA	PeJP	NA	NA
+PJ101102	GSSSTEMMM 	C35H61N9O16S3	959.3399	NA	PeJP	NA	NA
+PJ101103	SSSSSCEHH 	C35H53N13O17S	959.3403	NA	PeJP	NA	NA
+PJ101104	GDDDDMHR 	C35H53N13O17S	959.3404	NA	PeJP	NA	NA
+PJ101105	GTQMMMMM 	C36H65N9O11S5	959.3407	NA	PeJP	NA	NA
+PJ101106	GGATMMMMM 	C36H65N9O11S5	959.3408	NA	PeJP	NA	NA
+PJ101107	SDDDHWW 	C43H49N11O15	959.341	NA	PeJP	NA	NA
+PJ101108	GCCNNMRY 	C36H57N13O12S3	959.3412	NA	PeJP	NA	NA
+PJ101109	PCCEHWW 	C44H53N11O10S2	959.3419	NA	PeJP	NA	NA
+PJ101110	GSSSSSSCCR 	C32H57N13O17S2	959.3437	NA	PeJP	NA	NA
+PJ101111	SSSCNNYW 	C40H53N11O15S	959.3444	NA	PeJP	NA	NA
+PJ101112	GSTCCCCKR 	C33H61N13O12S4	959.3446	NA	PeJP	NA	NA
+PJ101113	CCDMFRW 	C41H57N11O10S3	959.3452	NA	PeJP	NA	NA
+PJ101114	GGGCCCKFW 	C41H57N11O10S3	959.3453	NA	PeJP	NA	NA
+MJ098732	Supprescin B 	C35H57N7O24	959.345495	NA	MeJP	NA	NA
+PJ101115	SSSSSNNDY 	C36H53N11O20	959.3469	NA	PeJP	NA	NA
+PJ101116	GSCDEMRY 	C37H57N11O15S2	959.3477	NA	PeJP	NA	NA
+PJ101117	GGGGGGTTCMY 	C37H57N11O15S2	959.3478	NA	PeJP	NA	NA
+PJ101118	GNDDEHHH 	C37H49N15O16	959.3482	NA	PeJP	NA	NA
+PJ101119	SSCEYWW 	C45H53N9O13S	959.3484	NA	PeJP	NA	NA
+PJ101120	SCCCCKKW 	C38H61N11O10S4	959.3486	NA	PeJP	NA	NA
+PJ101121	GCMMFWW 	C46H57N9O8S3	959.3493	NA	PeJP	NA	NA
+PJ101122	SSSSSSSSNM 	C33H57N11O20S	959.3502	NA	PeJP	NA	NA
+PJ101123	SSSSDEYW 	C41H53N9O18	959.3509	NA	PeJP	NA	NA
+PJ101124	SSSSCCQKM 	C34H61N11O15S3	959.3511	NA	PeJP	NA	NA
+PJ101125	SCNNDDHR 	C34H53N15O16S	959.3516	NA	PeJP	NA	NA
+PJ101126	SNEMMYW 	C42H57N9O13S2	959.3518	NA	PeJP	NA	NA
+PJ101127	GTCMMMMR 	C35H65N11O10S5	959.352	NA	PeJP	NA	NA
+PJ101128	CYYYYW 	C50H53N7O11S	959.3524	NA	PeJP	NA	NA
+PJ101129	SSCCMHHR 	C35H57N15O11S3	959.3525	NA	PeJP	NA	NA
+PJ101130	CCQHHFW 	C43H53N13O9S2	959.3531	NA	PeJP	NA	NA
+PJ101131	SSSSPTCEY 	C38H57N9O18S	959.3542	NA	PeJP	NA	NA
+PJ101132	SSSQEEMY 	C38H57N9O18S	959.3543	NA	PeJP	NA	NA
+PJ101133	SSDYYYY 	C46H53N7O16	959.3549	NA	PeJP	NA	NA
+PJ101134	SSSTMMMW 	C39H61N9O13S3	959.3551	NA	PeJP	NA	NA
+PJ101135	CDDEHRW 	C39H53N13O14S	959.3556	NA	PeJP	NA	NA
+PJ101136	ACMFYYY 	C47H57N7O11S2	959.3558	NA	PeJP	NA	NA
+PJ101137	CKMMMMW 	C40H65N9O8S5	959.356	NA	PeJP	NA	NA
+PJ101138	SSSSTTEMM 	C35H61N9O18S2	959.3576	NA	PeJP	NA	NA
+PJ101139	SSDDDEHR 	C35H53N13O19	959.3581	NA	PeJP	NA	NA
+PJ101140	PEEEMYY 	C43H57N7O16S	959.3583	NA	PeJP	NA	NA
+PJ101141	SSDKMMMM 	C36H65N9O13S4	959.3585	NA	PeJP	NA	NA
+PJ101142	SSCCNQRY 	C36H57N13O14S2	959.359	NA	PeJP	NA	NA
+PJ101143	GDEMHWW 	C44H53N11O12S	959.3596	NA	PeJP	NA	NA
+PJ101144	ACCKMMHH 	C37H61N13O9S4	959.3599	NA	PeJP	NA	NA
+PJ101145	GSSEEEHW 	C40H53N11O17	959.3621	NA	PeJP	NA	NA
+PJ101146	GGGGGPDEEW 	C40H53N11O17	959.3622	NA	PeJP	NA	NA
+PJ101147	SSSSCCCKR 	C33H61N13O14S3	959.3623	NA	PeJP	NA	NA
+PJ101148	SCDMRYW 	C41H57N11O12S2	959.363	NA	PeJP	NA	NA
+PJ101149	NDDHHHW 	C41H49N15O13	959.3635	NA	PeJP	NA	NA
+PJ101150	GCDFFWW 	C49H53N9O10S	959.3637	NA	PeJP	NA	NA
+PJ101151	SSSDDMRY 	C37H57N11O17S	959.3655	NA	PeJP	NA	NA
+PJ101152	GNEEYYW 	C45H53N9O15	959.3661	NA	PeJP	NA	NA
+PJ101153	GGGEEYYW 	C45H53N9O15	959.3662	NA	PeJP	NA	NA
+PJ101154	NDMMMRY 	C38H61N11O12S3	959.3664	NA	PeJP	NA	NA
+PJ101155	SPCNEHHH 	C38H53N15O13S	959.3668	NA	PeJP	NA	NA
+PJ101156	GGSPCEHHH 	C38H53N15O13S	959.3669	NA	PeJP	NA	NA
+PJ101157	GSMMYWW 	C46H57N9O10S2	959.367	NA	PeJP	NA	NA
+PJ101158	MMMHHHH 	C39H57N15O8S3	959.3677	NA	PeJP	NA	NA
+PJ101159	GSSSSSSSSST 	C33H57N11O22	959.368	NA	PeJP	NA	NA
+PJ101160	GSSSSSSCKM 	C34H61N11O17S2	959.3689	NA	PeJP	NA	NA
+PJ101161	SSSSNNNNH 	C34H53N15O18	959.3693	NA	PeJP	NA	NA
+PJ101162	GGGGGGSSSSNH 	C34H53N15O18	959.3694	NA	PeJP	NA	NA
+PJ101163	GSSTEMYW 	C42H57N9O15S	959.3695	NA	PeJP	NA	NA
+PJ101164	SSSMMMMR 	C35H65N11O12S4	959.3697	NA	PeJP	NA	NA
+PJ101165	GCNNEMHR 	C35H57N15O13S2	959.3702	NA	PeJP	NA	NA
+PJ101166	AQMMMYW 	C43H61N9O10S3	959.3704	NA	PeJP	NA	NA
+PJ101167	SCNQHWW 	C43H53N13O11S	959.3708	NA	PeJP	NA	NA
+PJ101168	GGSCQHWW 	C43H53N13O11S	959.3709	NA	PeJP	NA	NA
+PJ101169	CCFFFFF 	C51H57N7O8S2	959.371	NA	PeJP	NA	NA
+PJ101170	GSSSTTEEY 	C38H57N9O20	959.372	NA	PeJP	NA	NA
+PJ101171	GSDKEMMY 	C39H61N9O15S2	959.3729	NA	PeJP	NA	NA
+PJ101172	SSSNNEHW 	C39H53N13O16	959.3734	NA	PeJP	NA	NA
+PJ101173	GTMYYYY 	C47H57N7O13S	959.3735	NA	PeJP	NA	NA
+PJ101174	GPCKMMMY 	C40H65N9O10S4	959.3738	NA	PeJP	NA	NA
+PJ101175	NNQMMHW 	C40H57N13O11S2	959.3742	NA	PeJP	NA	NA
+PJ101176	GGGGGAMMHW 	C40H57N13O11S2	959.3743	NA	PeJP	NA	NA
+PJ101177	DMHWWW 	C48H53N11O9S	959.3749	NA	PeJP	NA	NA
+PJ101178	VEEEEYY 	C43H57N7O18	959.376	NA	PeJP	NA	NA
+PJ101179	SSSSSLMMM 	C36H65N9O15S3	959.3763	NA	PeJP	NA	NA
+PJ101180	GSSSSCNRY 	C36H57N13O16S	959.3767	NA	PeJP	NA	NA
+PJ101181	GGGSPPCDDR 	C36H57N13O16S	959.3768	NA	PeJP	NA	NA
+PJ101182	GTKMMMMM 	C37H69N9O10S5	959.3771	NA	PeJP	NA	NA
+PJ101183	SSEEHWW 	C44H53N11O14	959.3774	NA	PeJP	NA	NA
+PJ101184	CCEMRRY 	C37H61N13O11S3	959.3776	NA	PeJP	NA	NA
+PJ101185	GNNNMHHH 	C37H53N17O12S	959.3781	NA	PeJP	NA	NA
+PJ101186	PTCMHWW 	C45H57N11O9S2	959.3783	NA	PeJP	NA	NA
+PJ101187	NNQQMYY 	C41H57N11O14S	959.3807	NA	PeJP	NA	NA
+PJ101188	TQEEMHW 	C41H57N11O14S	959.3808	NA	PeJP	NA	NA
+PJ101189	NEYYWW 	C49H53N9O12	959.3814	NA	PeJP	NA	NA
+PJ101190	GCCNDHRR 	C34H57N17O12S2	959.3815	NA	PeJP	NA	NA
+PJ101191	ACMMRYW 	C42H61N11O9S3	959.3816	NA	PeJP	NA	NA
+PJ101192	GSPCHHHW 	C42H53N15O10S	959.3821	NA	PeJP	NA	NA
+PJ101193	SSSSSSQQY 	C37H57N11O19	959.3832	NA	PeJP	NA	NA
+PJ101194	GGGGSSSSTTY 	C37H57N11O19	959.3833	NA	PeJP	NA	NA
+PJ101195	GSSEMMRY 	C38H61N11O14S2	959.3841	NA	PeJP	NA	NA
+PJ101196	GGGGGAPPEMM 	C38H61N11O14S2	959.3842	NA	PeJP	NA	NA
+PJ101197	GNNNNNQW 	C38H53N15O15	959.3846	NA	PeJP	NA	NA
+PJ101198	SSTMYWW 	C46H57N9O12S	959.3848	NA	PeJP	NA	NA
+PJ101199	NMMMMFR 	C39H65N11O9S4	959.385	NA	PeJP	NA	NA
+PJ101200	CNNMHRW 	C39H57N15O10S2	959.3855	NA	PeJP	NA	NA
+PJ101201	SSSSSSSTCK 	C34H61N11O19S	959.3866	NA	PeJP	NA	NA
+PJ101202	SSSTTEYW 	C42H57N9O17	959.3873	NA	PeJP	NA	NA
+PJ101203	SSSSCCKKM 	C35H65N11O14S3	959.3875	NA	PeJP	NA	NA
+PJ101204	SSNNDMHR 	C35H57N15O15S	959.388	NA	PeJP	NA	NA
+PJ101205	SDKMMYW 	C43H61N9O12S2	959.3881	NA	PeJP	NA	NA
+PJ101206	SPPPDMMW 	C43H61N9O12S2	959.3882	NA	PeJP	NA	NA
+PJ101207	GSSSNHWW 	C43H53N13O13	959.3886	NA	PeJP	NA	NA
+PJ101208	ACFFFYY 	C51H57N7O10S	959.3888	NA	PeJP	NA	NA
+PJ101209	GGPCCCKHR 	C36H61N15O10S3	959.3889	NA	PeJP	NA	NA
+PJ101210	CCKHHFW 	C44H57N13O8S2	959.3895	NA	PeJP	NA	NA
+PJ101211	SSSKEEMY 	C39H61N9O17S	959.3906	NA	PeJP	NA	NA
+PJ101212	PPTQEEEM 	C39H61N9O17S	959.3907	NA	PeJP	NA	NA
+PJ101213	STTYYYY 	C47H57N7O15	959.3913	NA	PeJP	NA	NA
+PJ101214	QKEMMMY 	C40H65N9O12S3	959.3915	NA	PeJP	NA	NA
+PJ101215	SDEMHRW 	C40H57N13O13S	959.392	NA	PeJP	NA	NA
+PJ101216	GPNDWWW 	C48H53N11O11	959.3926	NA	PeJP	NA	NA
+PJ101217	GGGPDWWW 	C48H53N11O11	959.3927	NA	PeJP	NA	NA
+PJ101218	PCMMHRW 	C41H61N13O8S3	959.3929	NA	PeJP	NA	NA
+PJ101219	SSTTTTTMM 	C36H65N9O17S2	959.394	NA	PeJP	NA	NA
+PJ101220	SSSEEEHR 	C36H57N13O18	959.3945	NA	PeJP	NA	NA
+PJ101221	LEEEMFY 	C44H61N7O15S	959.3947	NA	PeJP	NA	NA
+PJ101222	STTKMMMM 	C37H69N9O12S4	959.3949	NA	PeJP	NA	NA
+PJ101223	SSCCNKRY 	C37H61N13O13S2	959.3953	NA	PeJP	NA	NA
+PJ101224	GGSSCCKRY 	C37H61N13O13S2	959.3954	NA	PeJP	NA	NA
+PJ101225	GSDDHHHR 	C37H53N17O14	959.3958	NA	PeJP	NA	NA
+PJ101226	GGGGGGPNNHH 	C37H53N17O14	959.3959	NA	PeJP	NA	NA
+PJ101227	ATEMHWW 	C45H57N11O11S	959.396	NA	PeJP	NA	NA
+PJ101228	GYYWWW 	C53H53N9O9	959.3967	NA	PeJP	NA	NA
+PJ101229	PDEEERW 	C41H57N11O16	959.3985	NA	PeJP	NA	NA
+PJ101230	SSMMRYW 	C42H61N11O11S2	959.3994	NA	PeJP	NA	NA
+PJ101231	SQEHHHW 	C42H53N15O12	959.3998	NA	PeJP	NA	NA
+PJ101232	TNEHHHW 	C42H53N15O12	959.3999	NA	PeJP	NA	NA
+PJ101233	QMFYWW 	C50H57N9O9S	959.4	NA	PeJP	NA	NA
+PJ101234	SSSTEMRY 	C38H61N11O16S	959.4019	NA	PeJP	NA	NA
+PJ101235	PVDEEWW 	C46H57N9O14	959.4025	NA	PeJP	NA	NA
+PJ101236	TQMMMRY 	C39H65N11O11S3	959.4027	NA	PeJP	NA	NA
+PJ101237	GATMMMRY 	C39H65N11O11S3	959.4028	NA	PeJP	NA	NA
+PJ101238	GSSCQHRW 	C39H57N15O12S	959.4032	NA	PeJP	NA	NA
+PJ101239	GGGGGGPPMHH 	C39H57N15O12S	959.4033	NA	PeJP	NA	NA
+PJ101240	AQMMFFW 	C47H61N9O9S2	959.4034	NA	PeJP	NA	NA
+PJ101241	GNNHFWW 	C47H53N13O10	959.4039	NA	PeJP	NA	NA
+PJ101242	GSSSSNEHR 	C35H57N15O17	959.4057	NA	PeJP	NA	NA
+PJ101243	GGGGGGGQEER 	C35H57N15O17	959.4058	NA	PeJP	NA	NA
+PJ101244	SSSSLMYW 	C43H61N9O14S	959.4059	NA	PeJP	NA	NA
+PJ101245	AAFYYYY 	C51H57N7O12	959.4065	NA	PeJP	NA	NA
+PJ101246	DDMMHRR 	C36H61N15O12S2	959.4066	NA	PeJP	NA	NA
+3792	peptide from soybean b-conglycinin (Glycine max)	VNPHDHQN	959.4067	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ101247	AKMMMYW 	C44H65N9O9S3	959.4068	NA	PeJP	NA	NA
+PJ101248	SCNKHWW 	C44H57N13O10S	959.4072	NA	PeJP	NA	NA
+PJ101249	GGSCKHWW 	C44H57N13O10S	959.4073	NA	PeJP	NA	NA
+PJ101250	SSSSSTLEY 	C39H61N9O19	959.4084	NA	PeJP	NA	NA
+PJ101251	GTTKEMMY 	C40H65N9O14S2	959.4093	NA	PeJP	NA	NA
+PJ101252	SSSNDKHW 	C40H57N13O15	959.4097	NA	PeJP	NA	NA
+PJ101253	GSPNDERW 	C40H57N13O15	959.4098	NA	PeJP	NA	NA
+PJ101254	AAKMMMMF 	C41H69N9O9S4	959.4102	NA	PeJP	NA	NA
+PJ101255	AEMMHRW 	C41H61N13O10S2	959.4106	NA	PeJP	NA	NA
+PJ101256	CFRYWW 	C49H57N11O8S	959.4113	NA	PeJP	NA	NA
+PJ101257	GTTEEMHR 	C37H61N13O15S	959.4131	NA	PeJP	NA	NA
+PJ101258	GGGGGGGGPKEM 	C37H61N13O15S	959.4132	NA	PeJP	NA	NA
+PJ101259	TTTEHWW 	C45H57N11O13	959.4138	NA	PeJP	NA	NA
+PJ101260	TCMMRRY 	C38H65N13O10S3	959.414	NA	PeJP	NA	NA
+PJ101261	NEMHHHR 	C38H57N17O11S	959.4145	NA	PeJP	NA	NA
+PJ101262	GLMMHWW 	C46H61N11O8S2	959.4146	NA	PeJP	NA	NA
+PJ101263	GTHHHWW 	C46H53N15O9	959.4151	NA	PeJP	NA	NA
+PJ101264	SNNNNNQR 	C34H57N17O16	959.4169	NA	PeJP	NA	NA
+PJ101265	GNNNDDRR 	C34H57N17O16	959.417	NA	PeJP	NA	NA
+PJ101266	TKEEMHW 	C42H61N11O13S	959.4171	NA	PeJP	NA	NA
+PJ101267	AAAAPNEMW 	C42H61N11O13S	959.4172	NA	PeJP	NA	NA
+PJ101268	DKYYWW 	C50H57N9O11	959.4178	NA	PeJP	NA	NA
+PJ101269	PKMMMHW 	C43H65N11O8S3	959.418	NA	PeJP	NA	NA
+PJ101270	VNMHHHW 	C43H57N15O9S	959.4185	NA	PeJP	NA	NA
+PJ101271	SSSSSSQKY 	C38H61N11O18	959.4196	NA	PeJP	NA	NA
+PJ101272	APTEEEER 	C38H61N11O18	959.4197	NA	PeJP	NA	NA
+PJ101273	GTTTMMRY 	C39H65N11O13S2	959.4205	NA	PeJP	NA	NA
+PJ101274	SSSSNHRW 	C39H57N15O14	959.421	NA	PeJP	NA	NA
+PJ101275	AVQMYYW 	C47H61N9O11S	959.4211	NA	PeJP	NA	NA
+PJ101276	GLQMYYW 	C47H61N9O11S	959.4212	NA	PeJP	NA	NA
+PJ101277	CCQKHRW 	C40H61N15O9S2	959.4218	NA	PeJP	NA	NA
+PJ101278	GACCKHRW 	C40H61N15O9S2	959.4219	NA	PeJP	NA	NA
+PJ101279	QQHHHHH 	C40H53N19O10	959.4223	NA	PeJP	NA	NA
+PJ101280	STTTTTYW 	C43H61N9O16	959.4236	NA	PeJP	NA	NA
+PJ101281	GPTLEEEW 	C43H61N9O16	959.4237	NA	PeJP	NA	NA
+PJ101282	SSSQQMHR 	C36H61N15O14S	959.4243	NA	PeJP	NA	NA
+PJ101283	GPNDDMRR 	C36H61N15O14S	959.4244	NA	PeJP	NA	NA
+PJ101284	TTKMMYW 	C44H65N9O11S2	959.4245	NA	PeJP	NA	NA
+PJ101285	SPNDRWW 	C44H57N13O12	959.425	NA	PeJP	NA	NA
+PJ101286	CDHHHRR 	C37H57N19O10S	959.4257	NA	PeJP	NA	NA
+PJ101287	STTTKEMY 	C40H65N9O16S	959.427	NA	PeJP	NA	NA
+PJ101288	AAPILDDDM 	C40H65N9O16S	959.4271	NA	PeJP	NA	NA
+PJ101289	PLEEFYY 	C48H61N7O14	959.4277	NA	PeJP	NA	NA
+PJ101290	KKEMMMY 	C41H69N9O11S3	959.4279	NA	PeJP	NA	NA
+PJ101291	TTEMHRW 	C41H61N13O12S	959.4284	NA	PeJP	NA	NA
+PJ101292	GPTQWWW 	C49H57N11O10	959.429	NA	PeJP	NA	NA
+PJ101293	GMHHHRW 	C42H57N17O8S	959.4297	NA	PeJP	NA	NA
+PJ101294	STTTEEHR 	C37H61N13O17	959.4309	NA	PeJP	NA	NA
+PJ101295	LLEEMYY 	C45H65N7O14S	959.4311	NA	PeJP	NA	NA
+PJ101296	KEEMMHR 	C38H65N13O12S2	959.4317	NA	PeJP	NA	NA
+PJ101297	GSLEMMHR 	C38H65N13O12S2	959.4318	NA	PeJP	NA	NA
+PJ101298	GSTEHHHR 	C38H57N17O13	959.4322	NA	PeJP	NA	NA
+PJ101299	STLMHWW 	C46H61N11O10S	959.4324	NA	PeJP	NA	NA
+PJ101300	QFFFWW 	C54H57N9O8	959.433	NA	PeJP	NA	NA
+PJ101301	GAFFFWW 	C54H57N9O8	959.4331	NA	PeJP	NA	NA
+PJ101302	SSTTLEHW 	C42H61N11O15	959.4349	NA	PeJP	NA	NA
+PJ101303	SSSCQHRR 	C35H61N17O13S	959.4356	NA	PeJP	NA	NA
+PJ101304	VKEMMHW 	C43H65N11O10S2	959.4358	NA	PeJP	NA	NA
+PJ101305	GNNQRWW 	C43H57N15O11	959.4362	NA	PeJP	NA	NA
+PJ101306	GGGGGGARWW 	C43H57N15O11	959.4363	NA	PeJP	NA	NA
+PJ101307	KMFYWW 	C51H61N9O8S	959.4364	NA	PeJP	NA	NA
+PJ101308	STTTTMRY 	C39H65N11O15S	959.4383	NA	PeJP	NA	NA
+PJ101309	PTLEEWW 	C47H61N9O13	959.4389	NA	PeJP	NA	NA
+PJ101310	TKMMMRY 	C40H69N11O10S3	959.4391	NA	PeJP	NA	NA
+PJ101311	AAAVVMMMH 	C40H69N11O10S3	959.4392	NA	PeJP	NA	NA
+PJ101312	PCNERRW 	C40H61N15O11S	959.4396	NA	PeJP	NA	NA
+PJ101313	PPLMMWW 	C48H65N9O8S2	959.4398	NA	PeJP	NA	NA
+PJ101314	EHFRWW 	C48H57N13O9	959.4403	NA	PeJP	NA	NA
+PJ101315	NQEEERR 	C36H61N15O16	959.4421	NA	PeJP	NA	NA
+PJ101316	GGGGGGGGGGDKK 	C36H61N15O16	959.4422	NA	PeJP	NA	NA
+PJ101317	GPVLEEMW 	C44H65N9O13S	959.4423	NA	PeJP	NA	NA
+PJ101318	TEMMHRR 	C37H65N15O11S2	959.443	NA	PeJP	NA	NA
+PJ101319	GPQMRWW 	C45H61N13O9S	959.4436	NA	PeJP	NA	NA
+PJ101320	VHFWWW 	C53H57N11O7	959.4443	NA	PeJP	NA	NA
+PJ101321	SSSTTTTLY 	C40H65N9O18	959.4448	NA	PeJP	NA	NA
+PJ101322	SSTLKMMY 	C41H69N9O13S2	959.4457	NA	PeJP	NA	NA
+PJ101323	VNQEERW 	C41H61N13O14	959.4461	NA	PeJP	NA	NA
+PJ101324	GGGGAAQKEW 	C41H61N13O14	959.4462	NA	PeJP	NA	NA
+PJ101325	SLMMHRW 	C42H65N13O9S2	959.447	NA	PeJP	NA	NA
+PJ101326	STHHHRW 	C42H57N17O10	959.4475	NA	PeJP	NA	NA
+PJ101327	SSTLEMHR 	C38H65N13O14S	959.4495	NA	PeJP	NA	NA
+PJ101328	SPQKEWW 	C46H61N11O12	959.4501	NA	PeJP	NA	NA
+PJ101329	PTNKEWW 	C46H61N11O12	959.4502	NA	PeJP	NA	NA
+PJ101330	AALMMMHR 	C39H69N13O9S3	959.4504	NA	PeJP	NA	NA
+PJ101331	CNQHFRR 	C39H61N17O10S	959.4508	NA	PeJP	NA	NA
+PJ101332	GGCQHFRR 	C39H61N17O10S	959.4509	NA	PeJP	NA	NA
+PJ101333	VHHHHFF 	C47H57N15O8	959.4515	NA	PeJP	NA	NA
+PJ101334	GSSSSSHRR 	C35H61N17O15	959.4533	NA	PeJP	NA	NA
+PJ101335	NDDERRR 	C35H61N17O15	959.4534	NA	PeJP	NA	NA
+PJ101336	PLEEMRW 	C43H65N11O12S	959.4535	NA	PeJP	NA	NA
+PJ101337	GGGGGAPPLMF 	C43H65N11O12S	959.4536	NA	PeJP	NA	NA
+PJ101338	PPVEFWW 	C51H61N9O10	959.4542	NA	PeJP	NA	NA
+PJ101339	GPCRRWW 	C44H61N15O8S	959.4549	NA	PeJP	NA	NA
+PJ101340	SSSSSSKKY 	C39H65N11O17	959.456	NA	PeJP	NA	NA
+PJ101341	GGGAALKEEE 	C39H65N11O17	959.4561	NA	PeJP	NA	NA
+PJ101342	STCCKKKY 	C40H69N11O12S2	959.4569	NA	PeJP	NA	NA
+PJ101343	SQQQQRW 	C40H61N15O13	959.4573	NA	PeJP	NA	NA
+PJ101344	GQEERRW 	C40H61N15O13	959.4574	NA	PeJP	NA	NA
+PJ101345	GLKMYYW 	C48H65N9O10S	959.4575	NA	PeJP	NA	NA
+PJ101346	PVLEMWW 	C48H65N9O10S	959.4576	NA	PeJP	NA	NA
+PJ101347	CCKKHRW 	C41H65N15O8S2	959.4582	NA	PeJP	NA	NA
+PJ101348	QKHHHHH 	C41H57N19O9	959.4587	NA	PeJP	NA	NA
+MJ098733	Technetium furifosmin 	C44H84N2O10P2Tc(+)	959.45951	NA	MeJP	NA	NA
+PJ101349	TKKEEYY 	C44H65N9O15	959.46	NA	PeJP	NA	NA
+PJ101350	AALLEEEW 	C44H65N9O15	959.4601	NA	PeJP	NA	NA
+PJ101351	GSPQEMRR 	C37H65N15O13S	959.4607	NA	PeJP	NA	NA
+PJ101352	GGGPTEMRR 	C37H65N15O13S	959.4608	NA	PeJP	NA	NA
+PJ101353	SPPVLMMW 	C45H69N9O10S2	959.4609	NA	PeJP	NA	NA
+3408	ACE inhibitor	PFFDPQIP	959.4609	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ101354	GVQERWW 	C45H61N13O11	959.4614	NA	PeJP	NA	NA
+PJ101355	VMMMHRR 	C38H69N15O8S3	959.4616	NA	PeJP	NA	NA
+PJ101356	SMHHHRR 	C38H61N19O9S	959.4621	NA	PeJP	NA	NA
+PJ101357	PVVKEEEM 	C41H69N9O15S	959.4634	NA	PeJP	NA	NA
+MJ098734	Cyanoginosin; Cyanoginosin YA 	C49H65N7O13	959.464035	NA	MeJP	NA	NA
+PJ101358	PLLEYYY 	C49H65N7O13	959.4641	NA	PeJP	NA	NA
+PJ101359	PPLLQMMM 	C42H73N9O10S3	959.4643	NA	PeJP	NA	NA
+PJ101360	SCLRRYY 	C42H65N13O11S	959.4647	NA	PeJP	NA	NA
+PJ101361	PNKEMRW 	C42H65N13O11S	959.4648	NA	PeJP	NA	NA
+PJ101362	GPTKWWW 	C50H61N11O9	959.4654	NA	PeJP	NA	NA
+PJ101363	SSSPPTTQR 	C38H65N13O16	959.4672	NA	PeJP	NA	NA
+PJ101364	LEEEERR 	C38H65N13O16	959.4673	NA	PeJP	NA	NA
+PJ101365	ATTLMMHR 	C39H69N13O11S2	959.4681	NA	PeJP	NA	NA
+PJ101366	GGGAAPLMMR 	C39H69N13O11S2	959.4682	NA	PeJP	NA	NA
+PJ101367	GDDRRRW 	C39H61N17O12	959.4686	NA	PeJP	NA	NA
+PJ101368	PVNKMWW 	C47H65N11O9S	959.4688	NA	PeJP	NA	NA
+PJ101369	KFFFWW 	C55H61N9O7	959.4694	NA	PeJP	NA	NA
+PJ101370	VLEEERW 	C43H65N11O14	959.4713	NA	PeJP	NA	NA
+PJ101371	GSPCERRR 	C36H65N17O12S	959.472	NA	PeJP	NA	NA
+PJ101372	APPCKKMW 	C44H69N11O9S2	959.4722	NA	PeJP	NA	NA
+PJ101373	QERRWW 	C44H61N15O10	959.4726	NA	PeJP	NA	NA
+PJ101374	SSSSVLLMH 	C40H69N11O14S	959.4746	NA	PeJP	NA	NA
+PJ101375	SPVLEEMR 	C40H69N11O14S	959.4747	NA	PeJP	NA	NA
+PJ101376	VVLEEWW 	C48H65N9O12	959.4753	NA	PeJP	NA	NA
+PJ101377	PPVVMMMR 	C41H73N11O9S3	959.4755	NA	PeJP	NA	NA
+PJ101378	SPQMRRW 	C41H65N15O10S	959.476	NA	PeJP	NA	NA
+PJ101379	VQRWWW 	C49H61N13O8	959.4766	NA	PeJP	NA	NA
+PJ101380	GGLRWWW 	C49H61N13O8	959.4767	NA	PeJP	NA	NA
+PJ101381	NKEEERR 	C37H65N15O15	959.4785	NA	PeJP	NA	NA
+PJ101382	APTLLEMW 	C45H69N9O12S	959.4787	NA	PeJP	NA	NA
+PJ101383	AAPQMMRR 	C38H69N15O10S2	959.4794	NA	PeJP	NA	NA
+PJ101384	GSPNHHRR 	C38H61N19O11	959.4798	NA	PeJP	NA	NA
+PJ101385	GGGSPHHRR 	C38H61N19O11	959.4799	NA	PeJP	NA	NA
+PJ101386	GPKMRWW 	C46H65N13O8S	959.48	NA	PeJP	NA	NA
+PJ101387	ALLKEEEE 	C41H69N9O17	959.4812	NA	PeJP	NA	NA
+PJ101388	ASPPTLLMM 	C42H73N9O12S2	959.482	NA	PeJP	NA	NA
+PJ101389	PVLLQEMM 	C42H73N9O12S2	959.4821	NA	PeJP	NA	NA
+PJ101390	VNKEERW 	C42H65N13O13	959.4825	NA	PeJP	NA	NA
+PJ101391	GGGGGGGGPLKF 	C42H65N13O13	959.4826	NA	PeJP	NA	NA
+PJ101392	NNNMRRR 	C35H65N19O11S	959.4832	NA	PeJP	NA	NA
+PJ101393	CKKKMHW 	C43H69N13O8S2	959.4834	NA	PeJP	NA	NA
+PJ101394	VQHHHFR 	C43H61N17O9	959.4839	NA	PeJP	NA	NA
+PJ101395	TTTTLMHR 	C39H69N13O13S	959.4859	NA	PeJP	NA	NA
+PJ101396	SPKKEWW 	C47H65N11O11	959.4865	NA	PeJP	NA	NA
+PJ101397	GAALKEWW 	C47H65N11O11	959.4866	NA	PeJP	NA	NA
+PJ101398	SPCRRRW 	C40H65N17O9S	959.4872	NA	PeJP	NA	NA
+PJ101399	ARRWWW 	C48H61N15O7	959.4879	NA	PeJP	NA	NA
+PJ101400	SQEERRR 	C36H65N17O14	959.4897	NA	PeJP	NA	NA
+PJ101401	GGGGGSKERR 	C36H65N17O14	959.4898	NA	PeJP	NA	NA
+PJ101402	AAPKKEMW 	C44H69N11O11S	959.4899	NA	PeJP	NA	NA
+PJ101403	PPVLYWW 	C52H65N9O9	959.4906	NA	PeJP	NA	NA
+PJ101404	ATLLEEER 	C40H69N11O16	959.4924	NA	PeJP	NA	NA
+PJ101405	APLLEMMR 	C41H73N11O11S2	959.4933	NA	PeJP	NA	NA
+PJ101406	SVQERRW 	C41H65N15O12	959.4937	NA	PeJP	NA	NA
+PJ101407	GKEERRW 	C41H65N15O12	959.4938	NA	PeJP	NA	NA
+PJ101408	GPPLLMFW 	C49H69N9O9S	959.4939	NA	PeJP	NA	NA
+PJ101409	AHHHFRR 	C42H61N19O8	959.4951	NA	PeJP	NA	NA
+PJ101410	GTLLLEEW 	C45H69N9O14	959.4964	NA	PeJP	NA	NA
+PJ101411	GGPVLLEEF 	C45H69N9O14	959.4965	NA	PeJP	NA	NA
+2612	synthetic peptide inhibitors of (PEP)	VYPFPGPIA	959.497	NA	Inhouse_peptide	NA	peptide
+PJ101412	GSPKEMRR 	C38H69N15O12S	959.4971	NA	PeJP	NA	NA
+PJ101413	GGGGGGALKMR 	C38H69N15O12S	959.4972	NA	PeJP	NA	NA
+PJ101414	GPLLLMMW 	C46H73N9O9S2	959.4973	NA	PeJP	NA	NA
+PJ101415	GVKERWW 	C46H65N13O10	959.4978	NA	PeJP	NA	NA
+PJ101416	PTLLKEEM 	C42H73N9O14S	959.4998	NA	PeJP	NA	NA
+PJ101417	LLLEFYY 	C50H69N7O12	959.5005	NA	PeJP	NA	NA
+PJ101418	PPLLKMMM 	C43H77N9O9S3	959.5007	NA	PeJP	NA	NA
+PJ101419	SDDRRRR 	C35H65N19O13	959.501	NA	PeJP	NA	NA
+PJ101420	VLQQMRW 	C43H69N13O10S	959.5011	NA	PeJP	NA	NA
+PJ101421	PDKKMRW 	C43H69N13O10S	959.5012	NA	PeJP	NA	NA
+PJ101422	AALKWWW 	C51H65N11O8	959.5018	NA	PeJP	NA	NA
+PJ101423	SSPKKEER 	C39H69N13O15	959.5036	NA	PeJP	NA	NA
+PJ101424	AAKKEEER 	C39H69N13O15	959.5037	NA	PeJP	NA	NA
+PJ101425	GPLQKMMR 	C40H73N13O10S2	959.5045	NA	PeJP	NA	NA
+PJ101426	GTERRRW 	C40H65N17O11	959.505	NA	PeJP	NA	NA
+PJ101427	PCLKKWW 	C48H69N11O8S	959.5052	NA	PeJP	NA	NA
+PJ101428	LQKKEEW 	C44H69N11O13	959.5077	NA	PeJP	NA	NA
+PJ101429	NQQKMRR 	C37H69N17O11S	959.5083	NA	PeJP	NA	NA
+PJ101430	VNEMRRR 	C37H69N17O11S	959.5084	NA	PeJP	NA	NA
+PJ101431	KERRWW 	C45H65N15O9	959.509	NA	PeJP	NA	NA
+PJ101432	PTTLLEMR 	C41H73N11O13S	959.511	NA	PeJP	NA	NA
+PJ101433	GLLLEEMR 	C41H73N11O13S	959.5111	NA	PeJP	NA	NA
+PJ101434	TLLLEWW 	C49H69N9O11	959.5117	NA	PeJP	NA	NA
+PJ101435	SPKMRRW 	C42H69N15O9S	959.5124	NA	PeJP	NA	NA
+PJ101436	VKRWWW 	C50H65N13O7	959.513	NA	PeJP	NA	NA
+PJ101437	DKKEERR 	C38H69N15O14	959.5149	NA	PeJP	NA	NA
+PJ101438	GVLLLEMW 	C46H73N9O11S	959.5151	NA	PeJP	NA	NA
+PJ101439	AAPKMMRR 	C39H73N15O9S2	959.5158	NA	PeJP	NA	NA
+PJ101440	VQQHHRR 	C39H65N19O10	959.5162	NA	PeJP	NA	NA
+PJ101441	SLLLKEEE 	C42H73N9O16	959.5176	NA	PeJP	NA	NA
+PJ101442	PVLLKEMM 	C43H77N9O11S2	959.5184	NA	PeJP	NA	NA
+PJ101443	VDKKERW 	C43H69N13O12	959.5189	NA	PeJP	NA	NA
+PJ101444	GEMRRRR 	C36H69N19O10S	959.5196	NA	PeJP	NA	NA
+PJ101445	TRRRWW 	C44H65N17O8	959.5202	NA	PeJP	NA	NA
+PJ101446	APTKKEMR 	C40H73N13O12S	959.5223	NA	PeJP	NA	NA
+PJ101447	ALKKEWW 	C48H69N11O10	959.5229	NA	PeJP	NA	NA
+PJ101448	GVMRRRW 	C41H69N17O8S	959.5236	NA	PeJP	NA	NA
+PJ101449	SKEERRR 	C37H69N17O13	959.5261	NA	PeJP	NA	NA
+PJ101450	LLLEMRW 	C45H73N11O10S	959.5263	NA	PeJP	NA	NA
+PJ101451	PVLLFWW 	C53H69N9O8	959.527	NA	PeJP	NA	NA
+PJ101452	AQHHRRR 	C38H65N21O9	959.5275	NA	PeJP	NA	NA
+PJ101453	STLLLEER 	C41H73N11O15	959.5288	NA	PeJP	NA	NA
+PJ101454	SPLLLMMR 	C42H77N11O10S2	959.5297	NA	PeJP	NA	NA
+PJ101455	SVKERRW 	C42H69N15O11	959.5301	NA	PeJP	NA	NA
+PJ101456	GGGATKKRW 	C42H69N15O11	959.5302	NA	PeJP	NA	NA
+PJ101457	VLLLMWW 	C50H73N9O8S	959.5303	NA	PeJP	NA	NA
+PJ101458	SSLLLLEW 	C46H73N9O13	959.5328	NA	PeJP	NA	NA
+PJ101459	LQKEMRR 	C39H73N15O11S	959.5335	NA	PeJP	NA	NA
+PJ101460	ATLKRWW 	C47H69N13O9	959.5342	NA	PeJP	NA	NA
+PJ101461	MRRRRW 	C40H69N19O7S	959.5349	NA	PeJP	NA	NA
+PJ101462	VVLLKEEM 	C43H77N9O13S	959.5362	NA	PeJP	NA	NA
+PJ101463	LLLLYYY 	C51H73N7O11	959.5368	NA	PeJP	NA	NA
+PJ101464	STERRRR 	C36H69N19O12	959.5374	NA	PeJP	NA	NA
+PJ101465	VLQKMRW 	C44H73N13O9S	959.5375	NA	PeJP	NA	NA
+PJ101466	GTLKKEER 	C40H73N13O14	959.54	NA	PeJP	NA	NA
+PJ101467	GGGKKKKEE 	C40H73N13O14	959.5401	NA	PeJP	NA	NA
+PJ101468	GPLKKMMR 	C41H77N13O9S2	959.5409	NA	PeJP	NA	NA
+PJ101469	SSLRRRW 	C41H69N17O10	959.5414	NA	PeJP	NA	NA
+PJ101470	ATTILQKW 	C45H73N11O12	959.544	NA	PeJP	NA	NA
+PJ101471	LKKKEEW 	C45H73N11O12	959.5441	NA	PeJP	NA	NA
+PJ101472	TLQMRRR 	C38H73N17O10S	959.5447	NA	PeJP	NA	NA
+PJ101473	VDKMRRR 	C38H73N17O10S	959.5448	NA	PeJP	NA	NA
+PJ101474	APKFRRW 	C46H69N15O8	959.5454	NA	PeJP	NA	NA
+PJ101475	SVLLLEMR 	C42H77N11O12S	959.5474	NA	PeJP	NA	NA
+PJ101476	GPVLLLYW 	C50H73N9O10	959.5481	NA	PeJP	NA	NA
+PJ101477	ALKMRRW 	C43H73N15O8S	959.5488	NA	PeJP	NA	NA
+PJ101478	GTTLKERR 	C39H73N15O13	959.5513	NA	PeJP	NA	NA
+PJ101479	ATLLLLMW 	C47H77N9O10S	959.5515	NA	PeJP	NA	NA
+PJ101480	GPRRRRY 	C40H69N19O9	959.5526	NA	PeJP	NA	NA
+PJ101481	GTTTLLLLE 	C43H77N9O15	959.5539	NA	PeJP	NA	NA
+PJ101482	ASTTIILLE 	C43H77N9O15	959.554	NA	PeJP	NA	NA
+PJ101483	VLLLLQMM 	C44H81N9O10S2	959.5548	NA	PeJP	NA	NA
+PJ101484	TLKKERW 	C44H73N13O11	959.5553	NA	PeJP	NA	NA
+PJ101485	SVMRRRR 	C37H73N19O9S	959.556	NA	PeJP	NA	NA
+PJ101486	GVLKKEMR 	C41H77N13O11S	959.5587	NA	PeJP	NA	NA
+PJ101487	SLLKKWW 	C49H73N11O9	959.5593	NA	PeJP	NA	NA
+PJ101488	GTTTLRRR 	C38H73N17O12	959.5625	NA	PeJP	NA	NA
+PJ101489	AALLKKMW 	C46H77N11O9S	959.5627	NA	PeJP	NA	NA
+PJ101490	AKHHRRR 	C39H69N21O8	959.5638	NA	PeJP	NA	NA
+PJ101491	SVLKKKEE 	C42H77N11O14	959.5652	NA	PeJP	NA	NA
+PJ101492	ALLLLMMR 	C43H81N11O9S2	959.5661	NA	PeJP	NA	NA
+PJ101493	TTLKRRW 	C43H73N15O10	959.5665	NA	PeJP	NA	NA
+PJ101494	TTTLLLLW 	C47H77N9O12	959.5692	NA	PeJP	NA	NA
+PJ101495	LKKEMRR 	C40H77N15O10S	959.5699	NA	PeJP	NA	NA
+PJ101496	GKKKKWW 	C48H73N13O8	959.5706	NA	PeJP	NA	NA
+PJ101497	TLLLLKEM 	C44H81N9O12S	959.5726	NA	PeJP	NA	NA
+PJ101498	VLKKMRW 	C45H77N13O8S	959.5739	NA	PeJP	NA	NA
+PJ101499	SSLLKKER 	C41H77N13O13	959.5764	NA	PeJP	NA	NA
+PJ101500	PTKFRRR 	C42H73N17O9	959.5778	NA	PeJP	NA	NA
+PJ101501	ATTLLKKW 	C46H77N11O11	959.5804	NA	PeJP	NA	NA
+PJ101502	GAAPLLKKY 	C46H77N11O11	959.5805	NA	PeJP	NA	NA
+PJ101503	TLKMRRR 	C39H77N17O9S	959.5811	NA	PeJP	NA	NA
+PJ101504	TTLLLLMR 	C43H81N11O11S	959.5838	NA	PeJP	NA	NA
+PJ101505	GVLLLLFW 	C51H77N9O9	959.5845	NA	PeJP	NA	NA
+PJ101506	ATTQKKKR 	C40H77N15O12	959.5876	NA	PeJP	NA	NA
+PJ101507	SSTLLKRR 	C40H77N15O12	959.5877	NA	PeJP	NA	NA
+PJ101508	PVLLLKMF 	C48H81N9O9S	959.5878	NA	PeJP	NA	NA
+PJ101509	GLFRRRR 	C41H73N19O8	959.589	NA	PeJP	NA	NA
+PJ101510	SSTTLLLLL 	C44H81N9O14	959.5903	NA	PeJP	NA	NA
+PJ101511	VLLLLKMM 	C45H85N9O9S2	959.5912	NA	PeJP	NA	NA
+PJ101512	DKKKKKW 	C45H77N13O10	959.5917	NA	PeJP	NA	NA
+PJ101513	SVVLKKMR 	C42H81N13O10S	959.595	NA	PeJP	NA	NA
+PJ101514	ATLLKKMR 	C42H81N13O10S	959.5951	NA	PeJP	NA	NA
+PJ101515	LLLLFRW 	C50H77N11O8	959.5957	NA	PeJP	NA	NA
+MJ098735	Sphinxolide A; 8-Demethoxy 	C53H85NO14	959.597006	NA	MeJP	NA	NA
+PJ101516	GSTKKKRR 	C39H77N17O11	959.5989	NA	PeJP	NA	NA
+PJ101517	TTLLKKKE 	C43H81N11O13	959.6016	NA	PeJP	NA	NA
+PJ101518	SKKKKRW 	C44H77N15O9	959.6029	NA	PeJP	NA	NA
+PJ101519	PTLLLLKY 	C48H81N9O11	959.6056	NA	PeJP	NA	NA
+PJ101520	AAKKKKMR 	C41H81N15O9S	959.6063	NA	PeJP	NA	NA
+PJ101521	TTTLLKKR 	C42H81N13O12	959.6128	NA	PeJP	NA	NA
+PJ101522	VVKFRRR 	C43H77N17O8	959.6141	NA	PeJP	NA	NA
+PJ101523	GLLLLLRY 	C47H81N11O10	959.6168	NA	PeJP	NA	NA
+PJ101524	SLLLKKKM 	C44H85N11O10S	959.6202	NA	PeJP	NA	NA
+PJ101525	ATTKKKKR 	C41H81N15O11	959.624	NA	PeJP	NA	NA
+PJ101526	GVLLKKFR 	C46H81N13O9	959.6281	NA	PeJP	NA	NA
+PJ101527	GLKKKKKM 	C43H85N13O9S	959.6314	NA	PeJP	NA	NA
+PJ101528	LLKKFRR 	C45H81N15O8	959.6393	NA	PeJP	NA	NA
+PJ101529	VVLLLLKY 	C49H85N9O10	959.642	NA	PeJP	NA	NA
+PJ101530	STLKKKKK 	C43H85N13O11	959.6492	NA	PeJP	NA	NA
+PJ101531	ALLLKKKF 	C48H85N11O9	959.6532	NA	PeJP	NA	NA
+MJ098736	Primycin; Primycin A2, 18-O-Dearabinosyl 	C51H97N3O13	959.70214	NA	MeJP	NA	NA
+MJ098737	1-O-(2-Aminoethylphospho)-2,3-bis(5,9,19-hexacosatrienoyl)glycerol 	C57H102NO8P	959.734305	NA	MeJP	NA	NA
+MJ098738	3,3',4',5,5',7-Hexahydroxyflavylium(1+); 3-O-[3,4-Dihydroxy-E-cinnamoyl-(?6)-?-D-glucopyranoside], 5-O-(4,6-di-O-malonyl-?-D-glucopyranoside) 	C42H41O26(+)	960.180781	NA	MeJP	NA	NA
+PJ101532	GCCCCNDDE 	C31H48N10O17S4	960.2082	NA	PeJP	NA	NA
+PJ101533	CCCCNDDW 	C35H48N10O14S4	960.2235	NA	PeJP	NA	NA
+PJ101534	SSCCCNDDD 	C31H48N10O19S3	960.226	NA	PeJP	NA	NA
+PJ101535	SPCCCCCNE 	C32H52N10O14S5	960.2268	NA	PeJP	NA	NA
+PJ101536	CCCCMMMH 	C33H56N10O9S7	960.2277	NA	PeJP	NA	NA
+PJ101537	TCCCCCYY 	C37H52N8O12S5	960.2309	NA	PeJP	NA	NA
+MJ098739	Agastachin 	C47H44O22	960.232423	NA	MeJP	NA	NA
+PJ101538	CCDDDEMM 	C33H52N8O17S4	960.2334	NA	PeJP	NA	NA
+PJ101539	GCCCCNNNM 	C31H52N12O13S5	960.2381	NA	PeJP	NA	NA
+PJ101540	GSPCCCCCW 	C36H52N10O11S5	960.2421	NA	PeJP	NA	NA
+PJ101541	GSCCCNDEM 	C32H52N10O16S4	960.2446	NA	PeJP	NA	NA
+PJ101542	GPCCCCNMM 	C33H56N10O11S6	960.2455	NA	PeJP	NA	NA
+PJ101543	CCDDDDEF 	C36H48N8O19S2	960.2478	NA	PeJP	NA	NA
+PJ101544	CCCDDEHH 	C34H48N12O15S3	960.2525	NA	PeJP	NA	NA
+PJ101545	GSCCCCDDR 	C31H52N12O15S4	960.2558	NA	PeJP	NA	NA
+PJ101546	GGGGGGSTCCCC 	C31H52N12O15S4	960.2559	NA	PeJP	NA	NA
+PJ101547	APCCCCCCR 	C32H56N12O10S6	960.2567	NA	PeJP	NA	NA
+PJ101548	DDDDDDDH 	C34H44N10O23	960.2581	NA	PeJP	NA	NA
+PJ101549	CCNNDDDY 	C35H48N10O18S2	960.259	NA	PeJP	NA	NA
+PJ101550	SCCCNDMW 	C36H52N10O13S4	960.2599	NA	PeJP	NA	NA
+PJ101551	SSSCCCDQE 	C32H52N10O18S3	960.2623	NA	PeJP	NA	NA
+PJ101552	SSSCCNDDM 	C32H52N10O18S3	960.2624	NA	PeJP	NA	NA
+PJ101553	CCNNDMMM 	C33H56N10O13S5	960.2632	NA	PeJP	NA	NA
+PJ101554	GCCCCFYY 	C41H52N8O11S4	960.2639	NA	PeJP	NA	NA
+PJ101555	SCDDDDEY 	C36H48N8O21S	960.2655	NA	PeJP	NA	NA
+PJ101556	PCCDDDMY 	C37H52N8O16S3	960.2664	NA	PeJP	NA	NA
+PJ101557	SCDDEMMM 	C34H56N8O16S4	960.2698	NA	PeJP	NA	NA
+PJ101558	PCCDMMMM 	C35H60N8O11S6	960.2706	NA	PeJP	NA	NA
+PJ101559	GSSSSCCCNN 	C31H52N12O17S3	960.2736	NA	PeJP	NA	NA
+PJ101560	CCCCNEMR 	C32H56N12O12S5	960.2745	NA	PeJP	NA	NA
+PJ101561	GTCCCCWW 	C40H52N10O10S4	960.2751	NA	PeJP	NA	NA
+PJ101562	GSSSCCCEW 	C36H52N10O15S3	960.2776	NA	PeJP	NA	NA
+PJ101563	GCCCQMMW 	C37H56N10O10S5	960.2785	NA	PeJP	NA	NA
+PJ101564	GSSSSSCCDE 	C32H52N10O20S2	960.2801	NA	PeJP	NA	NA
+PJ101565	GSSCCNEMM 	C33H56N10O15S4	960.281	NA	PeJP	NA	NA
+PJ101566	GSCCCYYY 	C41H52N8O13S3	960.2816	NA	PeJP	NA	NA
+PJ101567	APCCCCCKM 	C34H60N10O10S6	960.2819	NA	PeJP	NA	NA
+PJ101568	CCCNNMHH 	C34H52N14O11S4	960.2823	NA	PeJP	NA	NA
+PJ101569	GDDDDMMY 	C37H52N8O18S2	960.2841	NA	PeJP	NA	NA
+PJ101570	PCCDDMMF 	C38H56N8O13S4	960.285	NA	PeJP	NA	NA
+PJ101571	CCCCCDRR 	C31H56N14O11S5	960.2857	NA	PeJP	NA	NA
+PJ101572	CNNDDDEH 	C34H48N12O19S	960.288	NA	PeJP	NA	NA
+PJ101573	GDDMMMMM 	C35H60N8O13S5	960.2884	NA	PeJP	NA	NA
+PJ101574	CCCNNNQY 	C35H52N12O14S3	960.2888	NA	PeJP	NA	NA
+PJ101575	GGGGCCCNQY 	C35H52N12O14S3	960.2889	NA	PeJP	NA	NA
+PJ101576	GCCCCMRW 	C36H56N12O9S5	960.2897	NA	PeJP	NA	NA
+MJ098740	6-O-?-D-Glucopyranosyl-D-glucose; ?-Pyranose-form, 1,2,2'-Tris-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C45H52O23	960.289937	NA	MeJP	NA	NA
+MJ098741	Sucrose; 3',4',6-Tris-O-(4-hydroxy-3,5-dimethoxycinnamoyl) 	C45H52O23	960.289937	NA	MeJP	NA	NA
+PJ101577	GSSCCCDMR 	C32H56N12O14S4	960.2922	NA	PeJP	NA	NA
+PJ101578	SSSCCCWW 	C40H52N10O12S3	960.2929	NA	PeJP	NA	NA
+PJ101579	SDDDDEEH 	C35H48N10O22	960.2945	NA	PeJP	NA	NA
+PJ101580	SSSSSCCDW 	C36H52N10O17S2	960.2954	NA	PeJP	NA	NA
+PJ101581	SSCCNMMW 	C37H56N10O12S4	960.2962	NA	PeJP	NA	NA
+PJ101582	GGGAPCCCMY 	C37H56N10O12S4	960.2963	NA	PeJP	NA	NA
+PJ101583	SSSSSSSCDD 	C32H52N10O22S	960.2979	NA	PeJP	NA	NA
+PJ101584	GDDDDDFY 	C40H48N8O20	960.2985	NA	PeJP	NA	NA
+PJ101585	SSSSCNDMM 	C33H56N10O17S3	960.2987	NA	PeJP	NA	NA
+PJ101586	CDDEMYW 	C41H52N8O15S2	960.2994	NA	PeJP	NA	NA
+PJ101587	SCNNMMMM 	C34H60N10O12S5	960.2996	NA	PeJP	NA	NA
+PJ101588	GSSCCCQHH 	C34H52N14O13S3	960.3001	NA	PeJP	NA	NA
+PJ101589	SSDDDEMY 	C37H52N8O20S	960.3019	NA	PeJP	NA	NA
+PJ101590	SPCDDMMY 	C38H56N8O15S3	960.3028	NA	PeJP	NA	NA
+PJ101591	GCNDDDHW 	C38H48N12O16S	960.3032	NA	PeJP	NA	NA
+PJ101592	GGGCDDDHW 	C38H48N12O16S	960.3033	NA	PeJP	NA	NA
+PJ101593	CEMMMMW 	C39H60N8O10S5	960.3036	NA	PeJP	NA	NA
+PJ101594	PCCCDHHF 	C39H52N12O11S3	960.3041	NA	PeJP	NA	NA
+PJ101595	GSSNDDDDH 	C34H48N12O21	960.3057	NA	PeJP	NA	NA
+PJ101596	SSDEMMMM 	C35H60N8O15S4	960.3061	NA	PeJP	NA	NA
+PJ101597	GSSCCNNNY 	C35H52N12O16S2	960.3066	NA	PeJP	NA	NA
+PJ101598	SPCMMMMM 	C36H64N8O10S6	960.307	NA	PeJP	NA	NA
+PJ101599	STCCCCRW 	C36H56N12O11S4	960.3075	NA	PeJP	NA	NA
+PJ101600	CCCNFWW 	C44H52N10O9S3	960.3081	NA	PeJP	NA	NA
+PJ101601	SSSSCCCER 	C32H56N12O16S3	960.31	NA	PeJP	NA	NA
+PJ101602	GSCCNEYW 	C40H52N10O14S2	960.3106	NA	PeJP	NA	NA
+PJ101603	SCCCQMMR 	C33H60N12O11S5	960.3108	NA	PeJP	NA	NA
+PJ101604	GGTCCCMMR 	C33H60N12O11S5	960.3109	NA	PeJP	NA	NA
+PJ101605	ACCCMHFF 	C41H56N10O9S4	960.3115	NA	PeJP	NA	NA
+PJ101606	GSSSCNDEY 	C36H52N10O19S	960.3131	NA	PeJP	NA	NA
+PJ101607	GGGPPCDDDE 	C36H52N10O19S	960.3132	NA	PeJP	NA	NA
+PJ101608	GSSSTCCMW 	C37H56N10O14S3	960.314	NA	PeJP	NA	NA
+PJ101609	GCCCKMMW 	C38H60N10O9S5	960.3149	NA	PeJP	NA	NA
+MJ098742	Perdeacylemarginatine; 1-O-Benzoyl, 6,8,9,14-tetra-Ac 	C48H52N2O19	960.316427	NA	MeJP	NA	NA
+MJ098743	Perdeacylemarginatine; 8-Epimer, 9-benzoyl, 1,6,8,14-tetra-Ac 	C48H52N2O19	960.316427	NA	MeJP	NA	NA
+PJ101610	GSSSSSSCEM 	C33H56N10O19S2	960.3165	NA	PeJP	NA	NA
+PJ101611	GPCDDEYY 	C41H52N8O17S	960.3172	NA	PeJP	NA	NA
+PJ101612	GSSSCQMMM 	C34H60N10O14S4	960.3174	NA	PeJP	NA	NA
+PJ101613	SSSSCCNHH 	C34H52N14O15S2	960.3178	NA	PeJP	NA	NA
+PJ101614	GGGGCNNDMH 	C34H52N14O15S2	960.3179	NA	PeJP	NA	NA
+PJ101615	CDEMMFW 	C42H56N8O12S3	960.318	NA	PeJP	NA	NA
+PJ101616	CCCCQKHH 	C35H56N14O10S4	960.3187	NA	PeJP	NA	NA
+PJ101617	GSDEEMMY 	C38H56N8O17S2	960.3205	NA	PeJP	NA	NA
+PJ101618	GPCEMMMY 	C39H60N8O12S4	960.3214	NA	PeJP	NA	NA
+PJ101619	SPCCNDHW 	C39H52N12O13S2	960.3219	NA	PeJP	NA	NA
+PJ101620	SCCCCMRR 	C32H60N14O10S5	960.3221	NA	PeJP	NA	NA
+PJ101621	SNNDDEMH 	C35H52N12O18S	960.3244	NA	PeJP	NA	NA
+PJ101622	GTEMMMMM 	C36H64N8O12S5	960.3248	NA	PeJP	NA	NA
+PJ101623	GCCNDMRY 	C36H56N12O13S3	960.3252	NA	PeJP	NA	NA
+PJ101624	GGGGPCDMMH 	C36H56N12O13S3	960.3253	NA	PeJP	NA	NA
+PJ101625	SCCNYWW 	C44H52N10O11S2	960.3259	NA	PeJP	NA	NA
+PJ101626	GCCMHHHH 	C37H52N16O9S3	960.3266	NA	PeJP	NA	NA
+PJ101627	SSSCNDYW 	C40H52N10O16S	960.3284	NA	PeJP	NA	NA
+PJ101628	GSSSCCMMR 	C33H60N12O13S4	960.3286	NA	PeJP	NA	NA
+PJ101629	CNNMMYW 	C41H56N10O11S3	960.3292	NA	PeJP	NA	NA
+PJ101630	GGCNMMYW 	C41H56N10O11S3	960.3293	NA	PeJP	NA	NA
+PJ101631	SSSSSNDDY 	C36H52N10O21	960.3309	NA	PeJP	NA	NA
+PJ101632	SSSSSSCMW 	C37H56N10O16S2	960.3317	NA	PeJP	NA	NA
+PJ101633	GGSSNDMMY 	C37H56N10O16S2	960.3318	NA	PeJP	NA	NA
+PJ101634	GDDDEHHH 	C37H48N14O17	960.3322	NA	PeJP	NA	NA
+PJ101635	PCDDYYW 	C45H52N8O14S	960.3324	NA	PeJP	NA	NA
+PJ101636	STCCCKMW 	C38H60N10O11S4	960.3326	NA	PeJP	NA	NA
+PJ101637	GCCNNQHW 	C38H52N14O12S2	960.3331	NA	PeJP	NA	NA
+PJ101638	SSSSSSSSDM 	C33H56N10O21S	960.3342	NA	PeJP	NA	NA
+PJ101639	NDEEEYY 	C41H52N8O19	960.3349	NA	PeJP	NA	NA
+PJ101640	SSSSSNMMM 	C34H60N10O16S3	960.3351	NA	PeJP	NA	NA
+PJ101641	SCNDDDHR 	C34H52N14O17S	960.3356	NA	PeJP	NA	NA
+PJ101642	SDEMMYW 	C42H56N8O14S2	960.3358	NA	PeJP	NA	NA
+PJ101643	SCCQKMMM 	C35H64N10O11S5	960.336	NA	PeJP	NA	NA
+PJ101644	PCCCNEHR 	C35H56N14O12S3	960.3365	NA	PeJP	NA	NA
+PJ101645	PCMMMYW 	C43H60N8O9S4	960.3366	NA	PeJP	NA	NA
+PJ101646	CCEHHFW 	C43H52N12O10S2	960.3371	NA	PeJP	NA	NA
+PJ101647	SSSEEEMY 	C38H56N8O19S	960.3383	NA	PeJP	NA	NA
+PJ101648	QEEMMMY 	C39H60N8O14S3	960.3391	NA	PeJP	NA	NA
+PJ101649	GAEEMMMY 	C39H60N8O14S3	960.3392	NA	PeJP	NA	NA
+PJ101650	GSNDDMHW 	C39H52N12O15S	960.3396	NA	PeJP	NA	NA
+PJ101651	TMMMMMW 	C40H64N8O9S5	960.34	NA	PeJP	NA	NA
+PJ101652	CCCQRYW 	C40H56N12O10S3	960.3405	NA	PeJP	NA	NA
+PJ101653	PNDDDDDR 	C35H52N12O20	960.3421	NA	PeJP	NA	NA
+PJ101654	GGGGGGGSPDDE 	C35H52N12O20	960.3422	NA	PeJP	NA	NA
+PJ101655	STTEMMMM 	C36H64N8O14S4	960.3425	NA	PeJP	NA	NA
+PJ101656	SSCCNERY 	C36H56N12O15S2	960.343	NA	PeJP	NA	NA
+PJ101657	GVMMMMMM 	C37H68N8O9S6	960.3434	NA	PeJP	NA	NA
+PJ101658	CNNDFYW 	C44H52N10O13S	960.3436	NA	PeJP	NA	NA
+PJ101659	GGGGCDFYW 	C44H52N10O13S	960.3437	NA	PeJP	NA	NA
+PJ101660	GCCNMMFR 	C37H60N12O10S4	960.3439	NA	PeJP	NA	NA
+PJ101661	STCCHHHH 	C37H52N16O11S2	960.3443	NA	PeJP	NA	NA
+PJ101662	GGGGPCCHHH 	C37H52N16O11S2	960.3444	NA	PeJP	NA	NA
+PJ101663	GPDDDQEW 	C40H52N10O18	960.3461	NA	PeJP	NA	NA
+PJ101664	GPNDDEEW 	C40H52N10O18	960.3462	NA	PeJP	NA	NA
+PJ101665	SSSSTCCMR 	C33H60N12O15S3	960.3464	NA	PeJP	NA	NA
+PJ101666	GSSCQMYW 	C41H56N10O13S2	960.347	NA	PeJP	NA	NA
+PJ101667	SCCCKMMR 	C34H64N12O10S5	960.3472	NA	PeJP	NA	NA
+PJ101668	DDDHHHW 	C41H48N14O14	960.3475	NA	PeJP	NA	NA
+PJ101669	GSSSSNEMY 	C37H56N10O18S	960.3495	NA	PeJP	NA	NA
+PJ101670	GDEEYYW 	C45H52N8O16	960.3502	NA	PeJP	NA	NA
+PJ101671	DDMMMRY 	C38H60N10O13S3	960.3504	NA	PeJP	NA	NA
+PJ101672	SSCNNNHW 	C38H52N14O14S	960.3508	NA	PeJP	NA	NA
+PJ101673	GGSSCNNHW 	C38H52N14O14S	960.3509	NA	PeJP	NA	NA
+PJ101674	PCDMFYW 	C46H56N8O11S2	960.351	NA	PeJP	NA	NA
+PJ101675	GPCCCHRW 	C39H56N14O9S3	960.3517	NA	PeJP	NA	NA
+PJ101676	GSSSSSSTMM 	C34H60N10O18S2	960.3529	NA	PeJP	NA	NA
+PJ101677	SSSSNNNDH 	C34H52N14O19	960.3533	NA	PeJP	NA	NA
+PJ101678	GGSSSSNNDH 	C34H52N14O19	960.3534	NA	PeJP	NA	NA
+PJ101679	GSPDEMYY 	C42H56N8O16S	960.3535	NA	PeJP	NA	NA
+PJ101680	GSSSCKMMM 	C35H64N10O13S4	960.3537	NA	PeJP	NA	NA
+PJ101681	GSTTCCKMM 	C35H64N10O13S4	960.3538	NA	PeJP	NA	NA
+PJ101682	GCNDEMHR 	C35H56N14O14S2	960.3542	NA	PeJP	NA	NA
+PJ101683	GGGGGGGGSMMH 	C35H56N14O14S2	960.3543	NA	PeJP	NA	NA
+PJ101684	AEMMMYW 	C43H60N8O11S3	960.3544	NA	PeJP	NA	NA
+PJ101685	MMMMMMR 	C36H68N10O8S6	960.3546	NA	PeJP	NA	NA
+PJ101686	SCNEHWW 	C43H52N12O12S	960.3549	NA	PeJP	NA	NA
+PJ101687	ACCCCFRR 	C36H60N14O9S4	960.3551	NA	PeJP	NA	NA
+PJ101688	APEEEEEE 	C38H56N8O21	960.356	NA	PeJP	NA	NA
+PJ101689	PVDDEEEE 	C38H56N8O21	960.3561	NA	PeJP	NA	NA
+PJ101690	GTTEEMMY 	C39H60N8O16S2	960.3569	NA	PeJP	NA	NA
+PJ101691	SSSNDEHW 	C39H52N12O17	960.3574	NA	PeJP	NA	NA
+PJ101692	GPTMMMMY 	C40H64N8O11S4	960.3578	NA	PeJP	NA	NA
+PJ101693	GSSCCRYW 	C40H56N12O12S2	960.3582	NA	PeJP	NA	NA
+PJ101694	GGNEMMHW 	C40H56N12O12S2	960.3583	NA	PeJP	NA	NA
+PJ101695	GSSSSCDRY 	C36H56N12O17S	960.3607	NA	PeJP	NA	NA
+PJ101696	GSPPCDDDR 	C36H56N12O17S	960.3608	NA	PeJP	NA	NA
+PJ101697	SSLMMMMM 	C37H68N8O11S5	960.3611	NA	PeJP	NA	NA
+PJ101698	PNDDEWW 	C44H52N10O15	960.3614	NA	PeJP	NA	NA
+PJ101699	GSCNMMRY 	C37H60N12O12S3	960.3616	NA	PeJP	NA	NA
+PJ101700	GNNDMHHH 	C37H52N16O13S	960.3621	NA	PeJP	NA	NA
+PJ101701	CNNMFFW 	C45H56N10O10S2	960.3623	NA	PeJP	NA	NA
+PJ101702	GSNNNNNNN 	C33H52N16O18	960.3646	NA	PeJP	NA	NA
+PJ101703	SSSSNMYW 	C41H56N10O15S	960.3648	NA	PeJP	NA	NA
+PJ101704	DEYYWW 	C49H52N8O13	960.3654	NA	PeJP	NA	NA
+PJ101705	GCCDDHRR 	C34H56N16O13S2	960.3655	NA	PeJP	NA	NA
+PJ101706	CCQKMYW 	C42H60N10O10S3	960.3656	NA	PeJP	NA	NA
+PJ101707	GGPCCCKFF 	C42H60N10O10S3	960.3657	NA	PeJP	NA	NA
+PJ101708	SSSSSSQEY 	C37H56N10O20	960.3672	NA	PeJP	NA	NA
+PJ101709	SSSSSTNEY 	C37H56N10O20	960.3673	NA	PeJP	NA	NA
+PJ101710	SSSQQMMY 	C38H60N10O15S2	960.3681	NA	PeJP	NA	NA
+PJ101711	GVEEEMMH 	C38H60N10O15S2	960.3682	NA	PeJP	NA	NA
+PJ101712	GNNNNNEW 	C38H52N14O16	960.3686	NA	PeJP	NA	NA
+PJ101713	GGGGGGGGGGGEW 	C38H52N14O16	960.3687	NA	PeJP	NA	NA
+PJ101714	SPDMYYW 	C46H56N8O13S	960.3688	NA	PeJP	NA	NA
+PJ101715	DMMMMFR 	C39H64N10O10S4	960.369	NA	PeJP	NA	NA
+PJ101716	CNDMHRW 	C39H56N14O11S2	960.3695	NA	PeJP	NA	NA
+PJ101717	PCMMFFW 	C47H60N8O8S3	960.3697	NA	PeJP	NA	NA
+PJ101718	GSCHWWW 	C47H52N12O9S	960.3701	NA	PeJP	NA	NA
+PJ101719	SSSSSSSTTM 	C34H60N10O20S	960.3706	NA	PeJP	NA	NA
+PJ101720	TQEEEYY 	C42H56N8O18	960.3713	NA	PeJP	NA	NA
+PJ101721	SSSSTCKMM 	C35H64N10O15S3	960.3715	NA	PeJP	NA	NA
+PJ101722	SSNDDMHR 	C35H56N14O16S	960.372	NA	PeJP	NA	NA
+PJ101723	TTEMMYW 	C43H60N8O13S2	960.3722	NA	PeJP	NA	NA
+PJ101724	SCCKKMMM 	C36H68N10O10S5	960.3724	NA	PeJP	NA	NA
+PJ101725	GSSSDHWW 	C43H52N12O14	960.3726	NA	PeJP	NA	NA
+PJ101726	GGGGDEHFW 	C43H52N12O14	960.3727	NA	PeJP	NA	NA
+PJ101727	GTCCCRRY 	C36H60N14O11S3	960.3729	NA	PeJP	NA	NA
+PJ101728	CLMMMFW 	C44H64N8O8S4	960.373	NA	PeJP	NA	NA
+PJ101729	GNMMHWW 	C44H56N12O9S2	960.3735	NA	PeJP	NA	NA
+PJ101730	STTTEEMY 	C39H60N8O18S	960.3747	NA	PeJP	NA	NA
+PJ101731	KEEMMMY 	C40H64N8O13S3	960.3755	NA	PeJP	NA	NA
+PJ101732	GSSQEMHW 	C40H56N12O14S	960.376	NA	PeJP	NA	NA
+PJ101733	GPDDWWW 	C48H52N10O12	960.3767	NA	PeJP	NA	NA
+PJ101734	CCCKRYW 	C41H60N12O9S3	960.3769	NA	PeJP	NA	NA
+PJ101735	CNQHHHW 	C41H52N16O10S	960.3773	NA	PeJP	NA	NA
+PJ101736	GGCQHHHW 	C41H52N16O10S	960.3774	NA	PeJP	NA	NA
+MJ098744	Urdamycin C 	C51H60O18	960.377965	NA	MeJP	NA	NA
+PJ101737	SPNDDEER 	C36H56N12O19	960.3785	NA	PeJP	NA	NA
+PJ101738	SSSCQMRY 	C37H60N12O14S2	960.3794	NA	PeJP	NA	NA
+PJ101739	SSNNEHHH 	C37H52N16O15	960.3798	NA	PeJP	NA	NA
+PJ101740	GGSSNEHHH 	C37H52N16O15	960.3799	NA	PeJP	NA	NA
+PJ101741	GSPPCEWW 	C45H56N10O12S	960.38	NA	PeJP	NA	NA
+PJ101742	ACCCKMFR 	C38H64N12O9S4	960.3803	NA	PeJP	NA	NA
+PJ101743	GSSSSSTYW 	C41H56N10O17	960.3825	NA	PeJP	NA	NA
+PJ101744	GGGGPPDEEF 	C41H56N10O17	960.3826	NA	PeJP	NA	NA
+PJ101745	GSSSCNNHR 	C34H56N16O15S	960.3832	NA	PeJP	NA	NA
+PJ101746	GSSCKMYW 	C42H60N10O12S2	960.3834	NA	PeJP	NA	NA
+MJ098745	Jasnudifloside B; 10-Deacyl 	C44H64O23	960.383838	NA	MeJP	NA	NA
+MJ098746	Jasnudifloside B; 5-Deacyl 	C44H64O23	960.383838	NA	MeJP	NA	NA
+MJ098747	Jasnudifloside B; 7-Deacyl 	C44H64O23	960.383838	NA	MeJP	NA	NA
+MJ098748	Jasuroside B; 9-Deacyl 	C44H64O23	960.383838	NA	MeJP	NA	NA
+MJ098749	Jasuroside G 	C44H64O23	960.383838	NA	MeJP	NA	NA
+MJ098750	Nudifloside A 	C44H64O23	960.383838	NA	MeJP	NA	NA
+PJ101747	NNNNNWW 	C42H52N14O13	960.3839	NA	PeJP	NA	NA
+PJ101748	EMFYWW 	C50H56N8O10S	960.384	NA	PeJP	NA	NA
+PJ101749	PCDFFFW 	C50H56N8O10S	960.3841	NA	PeJP	NA	NA
+PJ101750	ACCHRWW 	C43H56N14O8S2	960.3847	NA	PeJP	NA	NA
+PJ101751	GSSSSDKMY 	C38H60N10O17S	960.3859	NA	PeJP	NA	NA
+PJ101752	ATEEYYW 	C46H56N8O15	960.3865	NA	PeJP	NA	NA
+PJ101753	GGPEEFYY 	C46H56N8O15	960.3866	NA	PeJP	NA	NA
+PJ101754	TEMMMRY 	C39H64N10O12S3	960.3868	NA	PeJP	NA	NA
+PJ101755	GSSCEHRW 	C39H56N14O13S	960.3872	NA	PeJP	NA	NA
+PJ101756	GGGGGPCDRW 	C39H56N14O13S	960.3873	NA	PeJP	NA	NA
+PJ101757	APMMYYW 	C47H60N8O10S2	960.3874	NA	PeJP	NA	NA
+PJ101758	GNDHFWW 	C47H52N12O11	960.3879	NA	PeJP	NA	NA
+PJ101759	CMMHHFR 	C40H60N14O8S3	960.3881	NA	PeJP	NA	NA
+PJ101760	GPCHHHHH 	C40H52N18O9S	960.3886	NA	PeJP	NA	NA
+PJ101761	GSSSSDEHR 	C35H56N14O18	960.3897	NA	PeJP	NA	NA
+PJ101762	GGGNNEEER 	C35H56N14O18	960.3898	NA	PeJP	NA	NA
+PJ101763	VQEEMYY 	C43H60N8O15S	960.3899	NA	PeJP	NA	NA
+PJ101764	SSSCCRRY 	C36H60N14O13S2	960.3906	NA	PeJP	NA	NA
+PJ101765	SLMMMYW 	C44H64N8O10S3	960.3908	NA	PeJP	NA	NA
+PJ101766	SSQMHWW 	C44H56N12O11S	960.3912	NA	PeJP	NA	NA
+PJ101767	GGSTMHWW 	C44H56N12O11S	960.3913	NA	PeJP	NA	NA
+PJ101768	SPLEEEEE 	C39H60N8O20	960.3924	NA	PeJP	NA	NA
+PJ101769	SSTLEMMY 	C40H64N8O15S2	960.3933	NA	PeJP	NA	NA
+PJ101770	SSSSSSPHW 	C40H56N12O16	960.3937	NA	PeJP	NA	NA
+PJ101771	GSPDDERW 	C40H56N12O16	960.3938	NA	PeJP	NA	NA
+PJ101772	AALMMMMY 	C41H68N8O10S4	960.3942	NA	PeJP	NA	NA
+PJ101773	GPPCDMRW 	C41H60N12O11S2	960.3946	NA	PeJP	NA	NA
+PJ101774	GGGGPPCCKW 	C41H60N12O11S2	960.3947	NA	PeJP	NA	NA
+PJ101775	GSSNHHHW 	C41H52N16O12	960.3951	NA	PeJP	NA	NA
+PJ101776	SPPCWWW 	C49H56N10O9S	960.3953	NA	PeJP	NA	NA
+PJ101777	GSSSSSMRY 	C37H60N12O16S	960.3971	NA	PeJP	NA	NA
+PJ101778	GGPVDDDMR 	C37H60N12O16S	960.3972	NA	PeJP	NA	NA
+PJ101779	SPQEEWW 	C45H56N10O14	960.3978	NA	PeJP	NA	NA
+PJ101780	GTCCKMRY 	C38H64N12O11S3	960.398	NA	PeJP	NA	NA
+PJ101781	GCNNNHFR 	C38H56N16O12S	960.3985	NA	PeJP	NA	NA
+PJ101782	PPNMMWW 	C46H60N10O9S2	960.3987	NA	PeJP	NA	NA
+PJ101783	GNNDDDRR 	C34H56N16O17	960.401	NA	PeJP	NA	NA
+PJ101784	SSSTCKYW 	C42H60N10O14S	960.4011	NA	PeJP	NA	NA
+PJ101785	AAPQEEMW 	C42H60N10O14S	960.4012	NA	PeJP	NA	NA
+PJ101786	GPEFYYW 	C50H56N8O12	960.4018	NA	PeJP	NA	NA
+PJ101787	GSCDMHRR 	C35H60N16O12S2	960.4019	NA	PeJP	NA	NA
+PJ101788	CCKKMYW 	C43H64N10O9S3	960.402	NA	PeJP	NA	NA
+PJ101789	SSCHRWW 	C43H56N14O10S	960.4025	NA	PeJP	NA	NA
+PJ101790	SSSSSSKEY 	C38H60N10O19	960.4036	NA	PeJP	NA	NA
+PJ101791	SPNKEEEE 	C38H60N10O19	960.4037	NA	PeJP	NA	NA
+PJ101792	SSSQKMMY 	C39H64N10O14S2	960.4045	NA	PeJP	NA	NA
+PJ101793	SSSSDHRW 	C39H56N14O15	960.405	NA	PeJP	NA	NA
+PJ101794	GLEMYYW 	C47H60N8O12S	960.4052	NA	PeJP	NA	NA
+PJ101795	VMMMMRY 	C40H68N10O9S4	960.4054	NA	PeJP	NA	NA
+PJ101796	SNMMHRW 	C40H60N14O10S2	960.4059	NA	PeJP	NA	NA
+PJ101797	QEHHHHH 	C40H52N18O11	960.4063	NA	PeJP	NA	NA
+PJ101798	GAEHHHHH 	C40H52N18O11	960.4064	NA	PeJP	NA	NA
+PJ101799	GMHHFFW 	C48H56N12O8S	960.4065	NA	PeJP	NA	NA
+PJ101800	TKEEEYY 	C43H60N8O17	960.4077	NA	PeJP	NA	NA
+PJ101801	GPDDDMRR 	C36H60N14O15S	960.4084	NA	PeJP	NA	NA
+PJ101802	PKEMMYY 	C44H64N8O12S2	960.4085	NA	PeJP	NA	NA
+PJ101803	GALEMMFY 	C44H64N8O12S2	960.4086	NA	PeJP	NA	NA
+PJ101804	SPDDRWW 	C44H56N12O13	960.409	NA	PeJP	NA	NA
+PJ101805	QQMMMHR 	C37H64N14O10S3	960.4092	NA	PeJP	NA	NA
+PJ101806	GGAAMMMHR 	C37H64N14O10S3	960.4093	NA	PeJP	NA	NA
+PJ101807	GSCQHHHR 	C37H56N18O11S	960.4097	NA	PeJP	NA	NA
+PJ101808	ACKMHWW 	C45H60N12O8S2	960.4099	NA	PeJP	NA	NA
+PJ101809	PVVEEEEM 	C40H64N8O17S	960.4111	NA	PeJP	NA	NA
+MJ098751	RA-V; 5''-O-(6-O-Acetyl-?-D-glucopyranoside) 	C48H60N6O15	960.411665	NA	MeJP	NA	NA
+PJ101810	ATTLMMMY 	C41H68N8O12S3	960.4119	NA	PeJP	NA	NA
+PJ101811	PNEEMRW 	C41H60N12O13S	960.4124	NA	PeJP	NA	NA
+PJ101812	GPTEWWW 	C49H56N10O11	960.413	NA	PeJP	NA	NA
+PJ101813	GGPPDFWW 	C49H56N10O11	960.4131	NA	PeJP	NA	NA
+PJ101814	KMMMHHF 	C42H64N12O8S3	960.4133	NA	PeJP	NA	NA
+PJ101815	CNKHHHW 	C42H56N16O9S	960.4137	NA	PeJP	NA	NA
+PJ101816	SSSSSSTRY 	C37H60N12O18	960.4149	NA	PeJP	NA	NA
+PJ101817	SSSCKMRY 	C38H64N12O13S2	960.4158	NA	PeJP	NA	NA
+PJ101818	GSNNNNRW 	C38H56N16O14	960.4162	NA	PeJP	NA	NA
+PJ101819	GGGGGGGSNRW 	C38H56N16O14	960.4163	NA	PeJP	NA	NA
+PJ101820	PVNEMWW 	C46H60N10O11S	960.4164	NA	PeJP	NA	NA
+PJ101821	PFYYWW 	C54H56N8O9	960.4171	NA	PeJP	NA	NA
+PJ101822	GSPKEEEW 	C42H60N10O16	960.4189	NA	PeJP	NA	NA
+PJ101823	SSSCEHRR 	C35H60N16O14S	960.4196	NA	PeJP	NA	NA
+PJ101824	GPPDKMMW 	C43H64N10O11S2	960.4198	NA	PeJP	NA	NA
+PJ101825	ANNDRWW 	C43H56N14O12	960.4202	NA	PeJP	NA	NA
+PJ101826	GNNERWW 	C43H56N14O12	960.4203	NA	PeJP	NA	NA
+PJ101827	LMYYWW 	C51H60N8O9S	960.4204	NA	PeJP	NA	NA
+PJ101828	CQMMHRR 	C36H64N16O9S3	960.4205	NA	PeJP	NA	NA
+PJ101829	AHHHHHW 	C44H52N18O8	960.4216	NA	PeJP	NA	NA
+PJ101830	GSSSTTKMY 	C39H64N10O16S	960.4223	NA	PeJP	NA	NA
+PJ101831	STLEYYW 	C47H60N8O14	960.4229	NA	PeJP	NA	NA
+PJ101832	GTCKKMMY 	C40H68N10O11S3	960.4232	NA	PeJP	NA	NA
+PJ101833	PCDERRW 	C40H60N14O12S	960.4236	NA	PeJP	NA	NA
+PJ101834	GGGGGGPPCFR 	C40H60N14O12S	960.4237	NA	PeJP	NA	NA
+PJ101835	ALMMFYW 	C48H64N8O9S2	960.4238	NA	PeJP	NA	NA
+PJ101836	QQQWWW 	C48H56N12O10	960.4243	NA	PeJP	NA	NA
+PJ101837	NEEEERR 	C36H60N14O17	960.4261	NA	PeJP	NA	NA
+PJ101838	GGGGGDKEER 	C36H60N14O17	960.4262	NA	PeJP	NA	NA
+PJ101839	VKEEMYY 	C44H64N8O14S	960.4263	NA	PeJP	NA	NA
+PJ101840	SPPCDMRR 	C37H64N14O12S2	960.427	NA	PeJP	NA	NA
+PJ101841	AALMMMFF 	C45H68N8O9S3	960.4272	NA	PeJP	NA	NA
+PJ101842	SSSNHHHR 	C37H56N18O13	960.4275	NA	PeJP	NA	NA
+PJ101843	APDMRWW 	C45H60N12O10S	960.4276	NA	PeJP	NA	NA
+PJ101844	GPEMRWW 	C45H60N12O10S	960.4277	NA	PeJP	NA	NA
+PJ101845	PTWWWW 	C53H56N10O8	960.4283	NA	PeJP	NA	NA
+PJ101846	ALLEEEEE 	C40H64N8O19	960.4288	NA	PeJP	NA	NA
+PJ101847	TTTTLMMY 	C41H68N8O14S2	960.4297	NA	PeJP	NA	NA
+PJ101848	SSSTKEHW 	C41H60N12O15	960.4301	NA	PeJP	NA	NA
+PJ101849	VNEEERW 	C41H60N12O15	960.4302	NA	PeJP	NA	NA
+PJ101850	GCNNNQRR 	C34H60N18O13S	960.4308	NA	PeJP	NA	NA
+PJ101851	GGGGGCNQRR 	C34H60N18O13S	960.4309	NA	PeJP	NA	NA
+PJ101852	GSPPMMRW 	C42H64N12O10S2	960.431	NA	PeJP	NA	NA
+PJ101853	PNDHHRW 	C42H56N16O11	960.4315	NA	PeJP	NA	NA
+PJ101854	GPVMWWW 	C50H60N10O8S	960.4317	NA	PeJP	NA	NA
+PJ101855	GPDKEEMR 	C38H64N12O15S	960.4335	NA	PeJP	NA	NA
+PJ101856	GGGGGGGGLLEM 	C38H64N12O15S	960.4336	NA	PeJP	NA	NA
+PJ101857	SPKEEWW 	C46H60N10O13	960.4342	NA	PeJP	NA	NA
+PJ101858	APPQMMMR 	C39H68N12O10S3	960.4344	NA	PeJP	NA	NA
+PJ101859	CNEHFRR 	C39H60N16O11S	960.4349	NA	PeJP	NA	NA
+PJ101860	CCKKFFW 	C47H64N10O8S2	960.435	NA	PeJP	NA	NA
+PJ101861	NNRWWW 	C47H56N14O9	960.4355	NA	PeJP	NA	NA
+PJ101862	SSNNQQQR 	C35H60N16O16	960.4373	NA	PeJP	NA	NA
+PJ101863	DDDERRR 	C35H60N16O16	960.4374	NA	PeJP	NA	NA
+PJ101864	SSPPKEMW 	C43H64N10O13S	960.4375	NA	PeJP	NA	NA
+PJ101865	AAPKEEMW 	C43H64N10O13S	960.4376	NA	PeJP	NA	NA
+PJ101866	GPLYYYW 	C51H60N8O11	960.4382	NA	PeJP	NA	NA
+PJ101867	GGGGAPCMRR 	C36H64N16O11S2	960.4383	NA	PeJP	NA	NA
+PJ101868	LLMMMHW 	C44H68N10O8S3	960.4384	NA	PeJP	NA	NA
+PJ101869	GQMHFRW 	C44H60N14O9S	960.4389	NA	PeJP	NA	NA
+PJ101870	SSSSTTTKY 	C39H64N10O18	960.44	NA	PeJP	NA	NA
+PJ101871	GLQKEEEE 	C39H64N10O18	960.4401	NA	PeJP	NA	NA
+PJ101872	SSSKKMMY 	C40H68N10O13S2	960.4409	NA	PeJP	NA	NA
+PJ101873	GEEERRW 	C40H60N14O14	960.4414	NA	PeJP	NA	NA
+PJ101874	SVLMYYW 	C48H64N8O11S	960.4415	NA	PeJP	NA	NA
+PJ101875	VVTMYYW 	C48H64N8O11S	960.4416	NA	PeJP	NA	NA
+PJ101876	TCKMHRW 	C41H64N14O9S2	960.4423	NA	PeJP	NA	NA
+PJ101877	NNHHHFR 	C41H56N18O10	960.4427	NA	PeJP	NA	NA
+PJ101878	PMRWWW 	C49H60N12O7S	960.4429	NA	PeJP	NA	NA
+PJ101879	SSSLLEYY 	C44H64N8O16	960.4441	NA	PeJP	NA	NA
+PJ101880	SSSKEMHR 	C37H64N14O14S	960.4447	NA	PeJP	NA	NA
+PJ101881	GSPEEMRR 	C37H64N14O14S	960.4448	NA	PeJP	NA	NA
+PJ101882	LLQMMYY 	C45H68N8O11S2	960.4449	NA	PeJP	NA	NA
+PJ101883	GVEERWW 	C45H60N12O12	960.4454	NA	PeJP	NA	NA
+PJ101884	APPCMMRR 	C38H68N14O9S3	960.4456	NA	PeJP	NA	NA
+PJ101885	GSCKHHHR 	C38H60N18O10S	960.4461	NA	PeJP	NA	NA
+PJ101886	PTLLEEEM 	C41H68N8O16S	960.4474	NA	PeJP	NA	NA
+PJ101887	PPLLEMMM 	C42H72N8O11S3	960.4483	NA	PeJP	NA	NA
+PJ101888	SSNNNNRR 	C34H60N18O15	960.4486	NA	PeJP	NA	NA
+PJ101889	PDKEMRW 	C42H64N12O12S	960.4488	NA	PeJP	NA	NA
+PJ101890	AALEWWW 	C50H60N10O10	960.4494	NA	PeJP	NA	NA
+PJ101891	GPCCNRRR 	C35H64N18O10S2	960.4495	NA	PeJP	NA	NA
+PJ101892	GCHFRRW 	C43H60N16O8S	960.4501	NA	PeJP	NA	NA
+PJ101893	AAKEEEER 	C38H64N12O17	960.4513	NA	PeJP	NA	NA
+PJ101894	PPTTQMMR 	C39H68N12O12S2	960.4521	NA	PeJP	NA	NA
+PJ101895	GPLQEMMR 	C39H68N12O12S2	960.4522	NA	PeJP	NA	NA
+PJ101896	SNNERRW 	C39H60N16O13	960.4526	NA	PeJP	NA	NA
+PJ101897	GGGGGGGGVLHH 	C39H60N16O13	960.4527	NA	PeJP	NA	NA
+PJ101898	PVDKMWW 	C47H64N10O10S	960.4528	NA	PeJP	NA	NA
+PJ101899	LFFYWW 	C55H60N8O8	960.4534	NA	PeJP	NA	NA
+PJ101900	LMMHHHR 	C40H64N16O8S2	960.4535	NA	PeJP	NA	NA
+PJ101901	THHHHHR 	C40H56N20O9	960.454	NA	PeJP	NA	NA
+PJ101902	LQKEEEW 	C43H64N10O15	960.4553	NA	PeJP	NA	NA
+PJ101903	SSSTMHRR 	C36H64N16O13S	960.456	NA	PeJP	NA	NA
+PJ101904	APPTKMMW 	C44H68N10O10S2	960.4562	NA	PeJP	NA	NA
+PJ101905	EERRWW 	C44H60N14O11	960.4566	NA	PeJP	NA	NA
+PJ101906	GGGDKRWW 	C44H60N14O11	960.4567	NA	PeJP	NA	NA
+PJ101907	ALMFFFW 	C52H64N8O8S	960.4568	NA	PeJP	NA	NA
+PJ101908	CKMMHRR 	C37H68N16O8S3	960.4569	NA	PeJP	NA	NA
+PJ101909	APKKEEEM 	C40H68N10O15S	960.4587	NA	PeJP	NA	NA
+PJ101910	PVKEYYY 	C48H64N8O13	960.4593	NA	PeJP	NA	NA
+PJ101911	SVLLMMMH 	C41H72N10O10S3	960.4595	NA	PeJP	NA	NA
+PJ101912	GGPPLKMMM 	C41H72N10O10S3	960.4596	NA	PeJP	NA	NA
+PJ101913	SPEMRRW 	C41H64N14O11S	960.46	NA	PeJP	NA	NA
+PJ101914	VERWWW 	C49H60N12O9	960.4607	NA	PeJP	NA	NA
+PJ101915	DKEEERR 	C37H64N14O16	960.4625	NA	PeJP	NA	NA
+PJ101916	GTTLLMYY 	C45H68N8O13S	960.4627	NA	PeJP	NA	NA
+PJ101917	AAPEMMRR 	C38H68N14O11S2	960.4634	NA	PeJP	NA	NA
+PJ101918	QQQQHHR 	C38H60N18O12	960.4638	NA	PeJP	NA	NA
+PJ101919	GSPDHHRR 	C38H60N18O12	960.4639	NA	PeJP	NA	NA
+PJ101920	SPVMRWW 	C46H64N12O9S	960.464	NA	PeJP	NA	NA
+PJ101921	VVWWWW 	C54H60N10O7	960.4647	NA	PeJP	NA	NA
+PJ101922	SLLLEEEE 	C41H68N8O18	960.4652	NA	PeJP	NA	NA
+PJ101923	PVLLEEMM 	C42H72N8O13S2	960.4661	NA	PeJP	NA	NA
+PJ101924	VDKEERW 	C42H64N12O14	960.4665	NA	PeJP	NA	NA
+PJ101925	GGAADKKEW 	C42H64N12O14	960.4666	NA	PeJP	NA	NA
+PJ101926	NNDMRRR 	C35H64N18O12S	960.4672	NA	PeJP	NA	NA
+PJ101927	GGGGGGGCKRR 	C35H64N18O12S	960.4673	NA	PeJP	NA	NA
+PJ101928	PLQMMRW 	C43H68N12O9S2	960.4674	NA	PeJP	NA	NA
+PJ101929	GSNRRWW 	C43H60N16O10	960.4679	NA	PeJP	NA	NA
+PJ101930	APTKEEMR 	C39H68N12O14S	960.4699	NA	PeJP	NA	NA
+PJ101931	SLLQEWW 	C47H64N10O12	960.4705	NA	PeJP	NA	NA
+PJ101932	ALKEEWW 	C47H64N10O12	960.4706	NA	PeJP	NA	NA
+PJ101933	APPKMMMR 	C40H72N12O9S3	960.4708	NA	PeJP	NA	NA
+PJ101934	GQQMRRW 	C40H64N16O10S	960.4712	NA	PeJP	NA	NA
+PJ101935	GGAQMRRW 	C40H64N16O10S	960.4713	NA	PeJP	NA	NA
+PJ101936	APKHHWW 	C48H60N14O8	960.4719	NA	PeJP	NA	NA
+PJ101937	SEEERRR 	C36H64N16O15	960.4737	NA	PeJP	NA	NA
+PJ101938	TDEERRR 	C36H64N16O15	960.4738	NA	PeJP	NA	NA
+PJ101939	GPTLKEMW 	C44H68N10O12S	960.4739	NA	PeJP	NA	NA
+PJ101940	GLLFYYW 	C52H64N8O10	960.4746	NA	PeJP	NA	NA
+PJ101941	NNQHHRR 	C37H60N20O11	960.4751	NA	PeJP	NA	NA
+PJ101942	PPCFRRW 	C45H64N14O8S	960.4753	NA	PeJP	NA	NA
+PJ101943	GLKKEEEE 	C40H68N10O17	960.4764	NA	PeJP	NA	NA
+PJ101944	PPTKKEMM 	C41H72N10O12S2	960.4773	NA	PeJP	NA	NA
+PJ101945	SVEERRW 	C41H64N14O13	960.4778	NA	PeJP	NA	NA
+PJ101946	PLKMFYY 	C49H68N8O10S	960.4779	NA	PeJP	NA	NA
+PJ101947	GALLMFFY 	C49H68N8O10S	960.478	NA	PeJP	NA	NA
+PJ101948	PCLMRRW 	C42H68N14O8S2	960.4786	NA	PeJP	NA	NA
+PJ101949	STTTLLYY 	C45H68N8O15	960.4804	NA	PeJP	NA	NA
+PJ101950	PPTLLEEY 	C45H68N8O15	960.4805	NA	PeJP	NA	NA
+2865	NA	YPFVEPIP	960.481	antibacterial	Inhouse_peptide	NA	peptide
+PJ101951	LQEEMRR 	C38H68N14O13S	960.4811	NA	PeJP	NA	NA
+PJ101952	GALEEMRR 	C38H68N14O13S	960.4812	NA	PeJP	NA	NA
+PJ101953	LLKMMYY 	C46H72N8O10S2	960.4813	NA	PeJP	NA	NA
+PJ101954	ATLERWW 	C46H64N12O11	960.4818	NA	PeJP	NA	NA
+PJ101955	KKMMMHR 	C39H72N14O8S3	960.482	NA	PeJP	NA	NA
+PJ101956	GCQRRRW 	C39H64N18O9S	960.4825	NA	PeJP	NA	NA
+PJ101957	VVLLEEEM 	C42H72N8O15S	960.4838	NA	PeJP	NA	NA
+PJ101958	GSSNERRR 	C35H64N18O14	960.485	NA	PeJP	NA	NA
+PJ101959	VLQEMRW 	C43H68N12O11S	960.4852	NA	PeJP	NA	NA
+PJ101960	GTLLWWW 	C51H64N10O9	960.4858	NA	PeJP	NA	NA
+PJ101961	VTTQQQKE 	C39H68N12O16	960.4876	NA	PeJP	NA	NA
+PJ101962	GTLKEEER 	C39H68N12O16	960.4877	NA	PeJP	NA	NA
+PJ101963	GPLKEMMR 	C40H72N12O11S2	960.4885	NA	PeJP	NA	NA
+PJ101964	GGGGPVKKMM 	C40H72N12O11S2	960.4886	NA	PeJP	NA	NA
+PJ101965	SNDKRRW 	C40H64N16O12	960.489	NA	PeJP	NA	NA
+PJ101966	PTLKMWW 	C48H68N10O9S	960.4892	NA	PeJP	NA	NA
+PJ101967	LKKEEEW 	C44H68N10O14	960.4917	NA	PeJP	NA	NA
+PJ101968	VDEMRRR 	C37H68N16O12S	960.4924	NA	PeJP	NA	NA
+PJ101969	GPVLKMMW 	C45H72N10O9S2	960.4926	NA	PeJP	NA	NA
+MJ098752	12-Oleanene-3,15,16,22,28-pentol, 3-O-[?-L-Arabinopyranosyl-[(1?2) or (1?3)]-?-D-glucopyranosyl-(1??)-?-D-glucuronopyranoside] 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098753	12-Oleanene-3,16,21,22,28-pentol, 3-O-[?-D-Xylopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098754	12-Oleanene-3,16,21,22,28-pentol, 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098755	2,3,16,23,24-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098756	2,3,21,23-Tetrahydroxy-12-oleanen-28-oic acid, 21-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 3-O-?-D-xylopyranoside 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098757	2,3,23,30-Tetrahydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], ?-D-glucopyranosyl ester 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098758	2,3,6,16,23-Pentahydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranosyl] ester 	C47H76O20	960.492994	NA	MeJP	NA	NA
+MJ098759	20,24-Epoxy-3,16,25-trihydroxycucurbit-5-ene-11,22-dione, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C47H76O20	960.492994	NA	MeJP	NA	NA
+PJ101970	GTQKRWW 	C45H64N14O10	960.493	NA	PeJP	NA	NA
+PJ101971	PCHHRRR 	C38H64N20O8S	960.4937	NA	PeJP	NA	NA
+PJ101972	SSPPTTLKM 	C41H72N10O14S	960.495	NA	PeJP	NA	NA
+PJ101973	SPLKKEEM 	C41H72N10O14S	960.4951	NA	PeJP	NA	NA
+PJ101974	VLLQYYY 	C49H68N8O12	960.4957	NA	PeJP	NA	NA
+PJ101975	PPVKKMMM 	C42H76N10O9S3	960.4959	NA	PeJP	NA	NA
+PJ101976	ALEMRRW 	C42H68N14O10S	960.4964	NA	PeJP	NA	NA
+PJ101977	QKKWWW 	C50H64N12O8	960.497	NA	PeJP	NA	NA
+PJ101978	GAKKWWW 	C50H64N12O8	960.4971	NA	PeJP	NA	NA
+PJ101979	GTTLEERR 	C38H68N14O15	960.4989	NA	PeJP	NA	NA
+PJ101980	PPVLLEMY 	C46H72N8O12S	960.4991	NA	PeJP	NA	NA
+PJ101981	GPTLMMRR 	C39H72N14O10S2	960.4998	NA	PeJP	NA	NA
+PJ101982	SSNRRRW 	C39H64N18O11	960.5002	NA	PeJP	NA	NA
+PJ101983	GGLEHHRR 	C39H64N18O11	960.5003	NA	PeJP	NA	NA
+PJ101984	GLLMRWW 	C47H68N12O8S	960.5004	NA	PeJP	NA	NA
+PJ101985	TLKEERW 	C43H68N12O13	960.5029	NA	PeJP	NA	NA
+PJ101986	GGGGGGGGLLLF 	C43H68N12O13	960.503	NA	PeJP	NA	NA
+PJ101987	SQQMRRR 	C36H68N18O11S	960.5036	NA	PeJP	NA	NA
+PJ101988	PLKMMRW 	C44H72N12O8S2	960.5038	NA	PeJP	NA	NA
+PJ101989	PTKHHRW 	C44H64N16O9	960.5043	NA	PeJP	NA	NA
+PJ101990	GVLKEEMR 	C40H72N12O13S	960.5063	NA	PeJP	NA	NA
+PJ101991	SLLKEWW 	C48H68N10O11	960.5069	NA	PeJP	NA	NA
+PJ101992	GGGPVLLYW 	C48H68N10O11	960.507	NA	PeJP	NA	NA
+PJ101993	GQKMRRW 	C41H68N16O9S	960.5076	NA	PeJP	NA	NA
+MJ098760	3,11,12,14-Tetrahydroxypregnan-20-one, 11-Benzoyl, 12-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H76O17	960.508251	NA	MeJP	NA	NA
+MJ098761	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H76O17	960.508251	NA	MeJP	NA	NA
+MJ098762	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H76O17	960.508251	NA	MeJP	NA	NA
+PJ101994	GSTQKERR 	C37H68N16O14	960.5101	NA	PeJP	NA	NA
+PJ101995	GGGGGGSTKKR 	C37H68N16O14	960.5102	NA	PeJP	NA	NA
+PJ101996	AALLKEMW 	C45H72N10O11S	960.5103	NA	PeJP	NA	NA
+PJ101997	PLKFFFY 	C53H68N8O9	960.511	NA	PeJP	NA	NA
+PJ101998	AEHHRRR 	C38H64N20O10	960.5115	NA	PeJP	NA	NA
+PJ101999	SVLKKEEE 	C41H72N10O16	960.5128	NA	PeJP	NA	NA
+PJ102000	PVVKKEMM 	C42H76N10O11S2	960.5137	NA	PeJP	NA	NA
+PJ102001	SQKKERW 	C42H68N14O12	960.5141	NA	PeJP	NA	NA
+PJ102002	TTLERRW 	C42H68N14O12	960.5142	NA	PeJP	NA	NA
+PJ102003	LLKMFFY 	C50H72N8O9S	960.5143	NA	PeJP	NA	NA
+PJ102004	SCQRRRR 	C35H68N20O10S	960.5148	NA	PeJP	NA	NA
+PJ102005	GGTCRRRR 	C35H68N20O10S	960.5149	NA	PeJP	NA	NA
+PJ102006	GLHHRRW 	C43H64N18O8	960.5155	NA	PeJP	NA	NA
+PJ102007	PVVLLEEY 	C46H72N8O14	960.5168	NA	PeJP	NA	NA
+PJ102008	LKEEMRR 	C39H72N14O12S	960.5175	NA	PeJP	NA	NA
+PJ102009	GGGGGAAKKKM 	C39H72N14O12S	960.5176	NA	PeJP	NA	NA
+PJ102010	PPLLLMMF 	C47H76N8O9S2	960.5177	NA	PeJP	NA	NA
+2616	synthetic peptide inhibitors of (PEP)	IFPFVEPI	960.518	NA	Inhouse_peptide	NA	peptide
+PJ102011	STLLRWW 	C47H68N12O10	960.5182	NA	PeJP	NA	NA
+PJ102012	GCKRRRW 	C40H68N18O8S	960.5189	NA	PeJP	NA	NA
+PJ102013	TLLLLEEM 	C43H76N8O14S	960.5202	NA	PeJP	NA	NA
+PJ102014	PLLLLMMM 	C44H80N8O9S3	960.5211	NA	PeJP	NA	NA
+PJ102015	GSSDKRRR 	C36H68N18O13	960.5214	NA	PeJP	NA	NA
+PJ102016	LQQKKMW 	C44H72N12O10S	960.5215	NA	PeJP	NA	NA
+PJ102017	VLKEMRW 	C44H72N12O10S	960.5216	NA	PeJP	NA	NA
+PJ102018	PVVKFWW 	C52H68N10O8	960.5222	NA	PeJP	NA	NA
+PJ102019	SSLLKEER 	C40H72N12O15	960.524	NA	PeJP	NA	NA
+PJ102020	VVTTKEER 	C40H72N12O15	960.5241	NA	PeJP	NA	NA
+PJ102021	SPVLKMMR 	C41H76N12O10S2	960.5249	NA	PeJP	NA	NA
+PJ102022	STQKRRW 	C41H68N16O11	960.5254	NA	PeJP	NA	NA
+PJ102023	VVLKMWW 	C49H72N10O8S	960.5256	NA	PeJP	NA	NA
+PJ102024	ATTLLKEW 	C45H72N10O13	960.5281	NA	PeJP	NA	NA
+PJ102025	TLEMRRR 	C38H72N16O11S	960.5288	NA	PeJP	NA	NA
+MJ098763	12-Oleanene-3,11,16,23,28-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098764	12-Oleanene-3,16,23,28-tetrol, 23-O-?-D-glucopyranoside, 28-O-?-gentiobioside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098765	12-Oleanene-3,16,23,28-tetrol, 23-O-?-gentiobioside, 28-O-?-D-glucopyranoside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098766	16,22-Epoxy-24-dammarene-3,15,16,20-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-galactopyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098767	16,22-Epoxy-24-dammarene-3,15,16,20-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098768	3,11,16-Trihydroxycycloartan-24-one, 3-O-[?-D-Glucopyranosyl(1?3)-?-D-glucopyranosyl(1?2)-?-D-glucopyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098769	3,11,25-Trihydroxycucurbit-5-en-24-one, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 25-O-?-D-glucopyranoside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098770	3,11,25-Trihydroxycucurbit-5-en-24-one, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 25-O-?-D-glucopyranoside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098771	3,20,28-Lupanetriol, 28-Carboxylic acid, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098772	3,20,28-Lupanetriol, 28-Carboxylic acid, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098773	3,24,25-Trihydroxycucurbit-5-en-11-one, 3-O-?-D-Glucopyranoside, 25-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098774	Cucurbita-5,24-diene-3,11,26-triol, 5?,6?-Epoxide, 3-O-?-D-glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098775	Cycloart-24-ene-3,16,22,28-tetrol, 3-O-?-D-Galactopyranoside, 22,29-di-O-?-D-glucopyranoside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098776	Dammar-25-ene-3,12,20,24-tetrol, 24-Ketone, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-?-D-glucopyranoside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098777	Dammara-5,24-diene-3,7,12,20-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H80O19	960.52938	NA	MeJP	NA	NA
+MJ098778	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Cymaropyranosyl-(1?4)-3-O-methyl-?-D-glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H80O19	960.52938	NA	MeJP	NA	NA
+PJ102026	GTKKRWW 	C46H68N14O9	960.5294	NA	PeJP	NA	NA
+PJ102027	SLLLQKEM 	C42H76N10O13S	960.5314	NA	PeJP	NA	NA
+PJ102028	ALLKKEEM 	C42H76N10O13S	960.5315	NA	PeJP	NA	NA
+PJ102029	VLLKYYY 	C50H72N8O11	960.5321	NA	PeJP	NA	NA
+PJ102030	GSSSRRRR 	C35H68N20O12	960.5326	NA	PeJP	NA	NA
+PJ102031	SLLMRRW 	C43H72N14O9S	960.5328	NA	PeJP	NA	NA
+PJ102032	KKKWWW 	C51H68N12O7	960.5334	NA	PeJP	NA	NA
+MJ098779	Cephalostatin 13 	C54H76N2O13	960.53474	NA	MeJP	NA	NA
+PJ102033	SSTLLERR 	C39H72N14O14	960.5353	NA	PeJP	NA	NA
+PJ102034	PVLLLEMF 	C47H76N8O11S	960.5355	NA	PeJP	NA	NA
+PJ102035	AALLMMRR 	C40H76N14O9S2	960.5362	NA	PeJP	NA	NA
+PJ102036	AQQFRRR 	C40H68N18O10	960.5366	NA	PeJP	NA	NA
+PJ102037	VLLLLEMM 	C44H80N8O11S2	960.5388	NA	PeJP	NA	NA
+PJ102038	SSSLLLRW 	C44H72N12O12	960.5393	NA	PeJP	NA	NA
+PJ102039	SQKMRRR 	C37H72N18O10S	960.54	NA	PeJP	NA	NA
+PJ102040	AKHFFRR 	C45H68N16O8	960.5406	NA	PeJP	NA	NA
+PJ102041	PPLHRRW 	C45H68N16O8	960.5407	NA	PeJP	NA	NA
+PJ102042	ATLLKEMR 	C41H76N12O12S	960.5427	NA	PeJP	NA	NA
+PJ102043	AAPLLKYW 	C49H72N10O10	960.5433	NA	PeJP	NA	NA
+PJ102044	GKKMRRW 	C42H72N16O8S	960.544	NA	PeJP	NA	NA
+PJ102045	GSTKKERR 	C38H72N16O13	960.5465	NA	PeJP	NA	NA
+PJ102046	GTLLLKMW 	C46H76N10O10S	960.5467	NA	PeJP	NA	NA
+PJ102047	VLMMRRR 	C39H76N16O8S2	960.5474	NA	PeJP	NA	NA
+PJ102048	GNFRRRR 	C39H68N20O9	960.5479	NA	PeJP	NA	NA
+PJ102049	TTLLKKEE 	C42H76N10O15	960.5492	NA	PeJP	NA	NA
+PJ102050	PTLLKKMM 	C43H80N10O10S2	960.5501	NA	PeJP	NA	NA
+PJ102051	SKKKERW 	C43H72N14O11	960.5505	NA	PeJP	NA	NA
+PJ102052	GGGPVKKRY 	C43H72N14O11	960.5506	NA	PeJP	NA	NA
+PJ102053	SCKRRRR 	C36H72N20O9S	960.5512	NA	PeJP	NA	NA
+PJ102054	PTLLLLEY 	C47H76N8O13	960.5532	NA	PeJP	NA	NA
+PJ102055	ATTLLMRR 	C40H76N14O11S	960.5539	NA	PeJP	NA	NA
+PJ102056	SVKKKWW 	C48H72N12O9	960.5546	NA	PeJP	NA	NA
+PJ102057	GSTTKRRR 	C37H72N18O12	960.5578	NA	PeJP	NA	NA
+PJ102058	LQKKKMW 	C45H76N12O9S	960.5579	NA	PeJP	NA	NA
+PJ102059	TTTLLKER 	C41H76N12O14	960.5604	NA	PeJP	NA	NA
+PJ102060	GLLLKMMR 	C42H80N12O9S2	960.5613	NA	PeJP	NA	NA
+PJ102061	STKKRRW 	C42H72N16O10	960.5618	NA	PeJP	NA	NA
+PJ102062	STTLLLKW 	C46H76N10O12	960.5644	NA	PeJP	NA	NA
+MJ098780	Antibiotic LI-F; Antibiotic LIF-03B 	C46H76N10O12	960.564417	NA	MeJP	NA	NA
+PJ102063	STTIILKW 	C46H76N10O12	960.5645	NA	PeJP	NA	NA
+PJ102064	DKKKMRR 	C39H76N16O10S	960.5651	NA	PeJP	NA	NA
+PJ102065	AATKKMRR 	C39H76N16O10S	960.5652	NA	PeJP	NA	NA
+PJ102066	ALLFRRW 	C47H72N14O8	960.5658	NA	PeJP	NA	NA
+PJ102067	SLLLKKEM 	C43H80N10O12S	960.5678	NA	PeJP	NA	NA
+PJ102068	PPVLLLFY 	C51H76N8O10	960.5685	NA	PeJP	NA	NA
+PJ102069	CLKKKRW 	C44H76N14O8S	960.5692	NA	PeJP	NA	NA
+PJ102070	TTTTLLRR 	C40H76N14O13	960.5717	NA	PeJP	NA	NA
+PJ102071	PVLLLLMY 	C48H80N8O10S	960.5719	NA	PeJP	NA	NA
+PJ102072	AQKFRRR 	C41H72N18O9	960.573	NA	PeJP	NA	NA
+PJ102073	GTTLKKKW 	C45H76N12O11	960.5757	NA	PeJP	NA	NA
+PJ102074	SKKMRRR 	C38H76N18O9S	960.5764	NA	PeJP	NA	NA
+MJ098781	Megalomicin A; 3A,4A-Di-Ac 	C48H84N2O17	960.576999	NA	MeJP	NA	NA
+C11987	Megalomicin C1	C48H84N2O17	960.577	NA	KEGG	NA	NA
+MJ098782	Acyclodidemnin A 	C49H80N6O13	960.578336	NA	MeJP	NA	NA
+PJ102075	STLLLKMR 	C42H80N12O11S	960.5791	NA	PeJP	NA	NA
+PJ102076	AALLLKFW 	C50H76N10O9	960.5797	NA	PeJP	NA	NA
+PJ102077	SSSLKKRR 	C39H76N16O12	960.5829	NA	PeJP	NA	NA
+PJ102078	PVVLKKMF 	C47H80N10O9S	960.5831	NA	PeJP	NA	NA
+PJ102079	SSSTLLLLK 	C43H80N10O14	960.5856	NA	PeJP	NA	NA
+PJ102080	VVLLKKMM 	C44H84N10O9S2	960.5865	NA	PeJP	NA	NA
+PJ102081	LLLQRRY 	C44H76N14O10	960.5869	NA	PeJP	NA	NA
+PJ102082	VVLLLLEY 	C48H80N8O12	960.5896	NA	PeJP	NA	NA
+PJ102083	GTLKKKMR 	C41H80N14O10S	960.5903	NA	PeJP	NA	NA
+PJ102084	VLLKFRW 	C49H76N12O8	960.5909	NA	PeJP	NA	NA
+PJ102085	PKKKKFW 	C49H76N12O8	960.591	NA	PeJP	NA	NA
+PJ102086	LKKKKMW 	C46H80N12O8S	960.5943	NA	PeJP	NA	NA
+PJ102087	STLKKKKE 	C42H80N12O13	960.5968	NA	PeJP	NA	NA
+PJ102088	VVLRRRY 	C43H76N16O9	960.5982	NA	PeJP	NA	NA
+PJ102089	SPLLLKKY 	C47H80N10O11	960.6008	NA	PeJP	NA	NA
+PJ102090	GAALLLLKY 	C47H80N10O11	960.6009	NA	PeJP	NA	NA
+PJ102091	PVLLLLFF 	C52H80N8O9	960.6049	NA	PeJP	NA	NA
+PJ102092	STTLKKKR 	C41H80N14O12	960.608	NA	PeJP	NA	NA
+PJ102093	SSQKKKKK 	C41H80N14O12	960.6081	NA	PeJP	NA	NA
+PJ102094	VLLLLLMF 	C49H84N8O9S	960.6082	NA	PeJP	NA	NA
+PJ102095	AKKFRRR 	C42H76N18O8	960.6094	NA	PeJP	NA	NA
+PJ102096	GVLLLKRY 	C46H80N12O10	960.6121	NA	PeJP	NA	NA
+PJ102097	SVLKKKKM 	C43H84N12O10S	960.6155	NA	PeJP	NA	NA
+PJ102098	LLLKRRY 	C45H80N14O9	960.6233	NA	PeJP	NA	NA
+PJ102099	TLLLLLLY 	C49H84N8O11	960.626	NA	PeJP	NA	NA
+PJ102100	ACKKKKKK 	C42H84N14O9S	960.6267	NA	PeJP	NA	NA
+PJ102101	VKKKFRR 	C44H80N16O8	960.6345	NA	PeJP	NA	NA
+PJ102102	ALLLLKKY 	C48H84N10O10	960.6372	NA	PeJP	NA	NA
+PJ102103	SSKKKKKK 	C42H84N14O11	960.6444	NA	PeJP	NA	NA
+PJ102104	GLLKKKKF 	C47H84N12O9	960.6485	NA	PeJP	NA	NA
+C07302	3-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)propionyl-CoA	C31H46N7O20P3S	961.1731	NA	KEGG	NA	NA
+C07303	4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA	C31H46N7O20P3S	961.1731	NA	KEGG	NA	NA
+MetaCyc04346	4-hydroxy-3-methoxyphenyl-&beta;-hydroxypropionyl-CoA [3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA;]	C31H46N7O20P3S1	961.173117	NA	metacyc	NA	NA
+PJ102105	GCCCCCCMH 	C31H51N11O10S7	961.1866	NA	PeJP	NA	NA
+FL7AAGGL0026	Salviadelphin	C42H41O26	961.1886	128508-45-2	knapsack	NA	NA
+PJ102106	GCCCCDDDE 	C31H47N9O18S4	961.1922	NA	PeJP	NA	NA
+PJ102107	STCCCCCCH 	C31H51N11O12S6	961.2043	NA	PeJP	NA	NA
+PJ102108	GGGGPCCCCCC 	C31H51N11O12S6	961.2044	NA	PeJP	NA	NA
+PJ102109	CCCCDDDW 	C35H47N9O15S4	961.2075	NA	PeJP	NA	NA
+C01291	3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA	C32H50N7O19P3S	961.2095	NA	KEGG	NA	NA
+PJ102110	SSCCCDDDD 	C31H47N9O20S3	961.21	NA	PeJP	NA	NA
+PJ102111	SPCCCCCDE 	C32H51N9O15S5	961.2109	NA	PeJP	NA	NA
+PJ102112	PPCCCCCCM 	C33H55N9O10S7	961.2117	NA	PeJP	NA	NA
+PJ102113	GCCCCNNDM 	C31H51N11O14S5	961.2221	NA	PeJP	NA	NA
+PJ102114	GSCCCDDEM 	C32H51N9O17S4	961.2286	NA	PeJP	NA	NA
+PJ102115	GPCCCCDMM 	C33H55N9O12S6	961.2295	NA	PeJP	NA	NA
+PJ102116	CCCCCNQW 	C35H51N11O11S5	961.2373	NA	PeJP	NA	NA
+PJ102117	GGCCCCCQW 	C35H51N11O11S5	961.2374	NA	PeJP	NA	NA
+PJ102118	SSCCCCNNE 	C31H51N11O16S4	961.2398	NA	PeJP	NA	NA
+PJ102119	GGSSCCCCNE 	C31H51N11O16S4	961.2399	NA	PeJP	NA	NA
+PJ102120	CCNDDDDY 	C35H47N9O19S2	961.243	NA	PeJP	NA	NA
+PJ102121	SCCCDDMW 	C36H51N9O14S4	961.2439	NA	PeJP	NA	NA
+PJ102122	SSSCCDDDM 	C32H51N9O19S3	961.2464	NA	PeJP	NA	NA
+PJ102123	CCNDDMMM 	C33H55N9O14S5	961.2472	NA	PeJP	NA	NA
+PJ102124	GGCCDDMMM 	C33H55N9O14S5	961.2473	NA	PeJP	NA	NA
+PJ102125	GPCCCCCHH 	C34H51N13O10S5	961.2486	NA	PeJP	NA	NA
+PJ102126	GSSCCCCNW 	C35H51N11O13S4	961.2551	NA	PeJP	NA	NA
+PJ102127	GSSSSCCCND 	C31H51N11O18S3	961.2576	NA	PeJP	NA	NA
+PJ102128	CCCCDEMR 	C32H55N11O13S5	961.2585	NA	PeJP	NA	NA
+PJ102129	GSPCCCDDY 	C36H51N9O16S3	961.2616	NA	PeJP	NA	NA
+PJ102130	GCCCEMMW 	C37H55N9O11S5	961.2625	NA	PeJP	NA	NA
+PJ102131	GSSCCDEMM 	C33H55N9O16S4	961.265	NA	PeJP	NA	NA
+PJ102132	GSPCCCMMM 	C34H59N9O11S6	961.2659	NA	PeJP	NA	NA
+PJ102133	CCCNDMHH 	C34H51N13O12S4	961.2663	NA	PeJP	NA	NA
+PJ102134	GGCCCDMHH 	C34H51N13O12S4	961.2664	NA	PeJP	NA	NA
+PJ102135	GSCCCCCQR 	C31H55N13O12S5	961.2697	NA	PeJP	NA	NA
+PJ102136	CNDDDDEH 	C34H47N11O20S	961.272	NA	PeJP	NA	NA
+PJ102137	CCCNNNEY 	C35H51N11O15S3	961.2729	NA	PeJP	NA	NA
+PJ102138	CCCCCNKW 	C36H55N11O10S5	961.2737	NA	PeJP	NA	NA
+PJ102139	SSSCCCNQM 	C32H55N11O15S4	961.2762	NA	PeJP	NA	NA
+PJ102140	GCCCDEFW 	C40H51N9O13S3	961.2769	NA	PeJP	NA	NA
+PJ102141	CCCMMWW 	C41H55N9O8S5	961.2778	NA	PeJP	NA	NA
+PJ102142	SCNDDDMY 	C36H51N9O18S2	961.2794	NA	PeJP	NA	NA
+PJ102143	SSCCDMMW 	C37H55N9O13S4	961.2803	NA	PeJP	NA	NA
+PJ102144	ACCCCHHW 	C38H51N13O9S4	961.2816	NA	PeJP	NA	NA
+PJ102145	SSTTCCCEE 	C33H55N9O18S3	961.2827	NA	PeJP	NA	NA
+PJ102146	SSSSCDDMM 	C33H55N9O18S3	961.2828	NA	PeJP	NA	NA
+PJ102147	SCNDMMMM 	C34H59N9O13S5	961.2836	NA	PeJP	NA	NA
+PJ102148	GSSCCCEHH 	C34H51N13O14S3	961.2841	NA	PeJP	NA	NA
+PJ102149	GCDDDDHW 	C38H47N11O17S	961.2873	NA	PeJP	NA	NA
+PJ102150	SSSCCCCNR 	C31H55N13O14S4	961.2875	NA	PeJP	NA	NA
+PJ102151	GCCCNNYW 	C39H51N11O12S3	961.2881	NA	PeJP	NA	NA
+PJ102152	GSSDDDDDH 	C34H47N11O22	961.2898	NA	PeJP	NA	NA
+PJ102153	GSSCCNNDY 	C35H51N11O17S2	961.2906	NA	PeJP	NA	NA
+PJ102154	PCCCCDRY 	C36H55N11O12S4	961.2915	NA	PeJP	NA	NA
+PJ102155	CCCDFWW 	C44H51N9O10S3	961.2921	NA	PeJP	NA	NA
+PJ102156	GSSSSSCCNM 	C32H55N11O17S3	961.294	NA	PeJP	NA	NA
+PJ102157	GSCCDEYW 	C40H51N9O15S2	961.2946	NA	PeJP	NA	NA
+PJ102158	SCCCEMMR 	C33H59N11O12S5	961.2949	NA	PeJP	NA	NA
+PJ102159	GPCCCMYW 	C41H55N9O10S4	961.2955	NA	PeJP	NA	NA
+PJ102160	GSSSCDDEY 	C36H51N9O20S	961.2971	NA	PeJP	NA	NA
+PJ102161	GPPCDDDDE 	C36H51N9O20S	961.2972	NA	PeJP	NA	NA
+PJ102162	GCNDEMMY 	C37H55N9O15S3	961.298	NA	PeJP	NA	NA
+PJ102163	GTCCMMMW 	C38H59N9O10S5	961.2989	NA	PeJP	NA	NA
+PJ102164	SSCCCHHW 	C38H51N13O11S3	961.2994	NA	PeJP	NA	NA
+PJ102165	GSSSCEMMM 	C34H59N9O15S4	961.3014	NA	PeJP	NA	NA
+PJ102166	SSSSCCDHH 	C34H51N13O16S2	961.3019	NA	PeJP	NA	NA
+PJ102167	GCQMMMMM 	C35H63N9O10S6	961.3023	NA	PeJP	NA	NA
+PJ102168	CCCCNNFR 	C35H55N13O11S4	961.3027	NA	PeJP	NA	NA
+PJ102169	SPCCDDHW 	C39H51N11O14S2	961.3059	NA	PeJP	NA	NA
+PJ102170	GSCCCCCKR 	C32H59N13O11S5	961.3061	NA	PeJP	NA	NA
+PJ102171	SNDDDEMH 	C35H51N11O19S	961.3084	NA	PeJP	NA	NA
+PJ102172	SCCNNQMY 	C36H55N11O14S3	961.3092	NA	PeJP	NA	NA
+PJ102173	GCCDDMRY 	C36H55N11O14S3	961.3093	NA	PeJP	NA	NA
+PJ102174	SCCDYWW 	C44H51N9O12S2	961.3099	NA	PeJP	NA	NA
+PJ102175	PCCCCMFR 	C37H59N11O9S5	961.3101	NA	PeJP	NA	NA
+PJ102176	SSSSSSSCCQ 	C32H55N11O19S2	961.3117	NA	PeJP	NA	NA
+PJ102177	SSSCDDYW 	C40H51N9O17S	961.3124	NA	PeJP	NA	NA
+PJ102178	SSSCCCNKM 	C33H59N11O14S4	961.3126	NA	PeJP	NA	NA
+PJ102179	GSCCNNNNH 	C33H51N15O15S2	961.3131	NA	PeJP	NA	NA
+PJ102180	CNDMMYW 	C41H55N9O12S3	961.3133	NA	PeJP	NA	NA
+PJ102181	GCCMMMMR 	C34H63N11O9S6	961.3135	NA	PeJP	NA	NA
+PJ102182	TCCCCHHR 	C34H55N15O10S4	961.314	NA	PeJP	NA	NA
+PJ102183	SSSSSDDDY 	C36H51N9O22	961.3149	NA	PeJP	NA	NA
+PJ102184	SSNDDMMY 	C37H55N9O17S2	961.3158	NA	PeJP	NA	NA
+PJ102185	SSSCMMMW 	C38H59N9O12S4	961.3166	NA	PeJP	NA	NA
+PJ102186	GAACCEMMF 	C38H59N9O12S4	961.3167	NA	PeJP	NA	NA
+PJ102187	GCCNNEHW 	C38H51N13O13S2	961.3171	NA	PeJP	NA	NA
+PJ102188	DDEEEYY 	C41H51N7O20	961.3189	NA	PeJP	NA	NA
+PJ102189	SSSSSDMMM 	C34H59N9O17S3	961.3191	NA	PeJP	NA	NA
+PJ102190	SCDDDDHR 	C34H51N13O18S	961.3196	NA	PeJP	NA	NA
+PJ102191	GGGGGGGGGPCDD 	C34H51N13O18S	961.3197	NA	PeJP	NA	NA
+PJ102192	SSNMMMMM 	C35H63N9O12S5	961.32	NA	PeJP	NA	NA
+PJ102193	SCCCNNRY 	C35H55N13O13S3	961.3205	NA	PeJP	NA	NA
+MJ098783	Triptonine B 	C45H55NO22	961.321572	NA	MeJP	NA	NA
+PJ102194	EEEMMMY 	C39H59N7O15S3	961.3232	NA	PeJP	NA	NA
+PJ102195	GSDDDMHW 	C39H51N11O16S	961.3236	NA	PeJP	NA	NA
+PJ102196	GGGGGGGCDYY 	C39H51N11O16S	961.3237	NA	PeJP	NA	NA
+PJ102197	CCCERYW 	C40H55N11O11S3	961.3245	NA	PeJP	NA	NA
+PJ102198	GSSSDDEEH 	C35H51N11O21	961.3261	NA	PeJP	NA	NA
+PJ102199	PDDDDDDR 	C35H51N11O21	961.3262	NA	PeJP	NA	NA
+PJ102200	SSCCDERY 	C36H55N11O16S2	961.327	NA	PeJP	NA	NA
+PJ102201	CNDDFYW 	C44H51N9O14S	961.3277	NA	PeJP	NA	NA
+PJ102202	SPCCCMRY 	C37H59N11O11S4	961.3279	NA	PeJP	NA	NA
+PJ102203	PCCNDHHH 	C37H51N15O12S2	961.3284	NA	PeJP	NA	NA
+PJ102204	ACCMYWW 	C45H55N9O9S3	961.3285	NA	PeJP	NA	NA
+PJ102205	GSSSSSSSSSC 	C32H55N11O21S	961.3295	NA	PeJP	NA	NA
+PJ102206	GPDDDEEW 	C40H51N9O19	961.3302	NA	PeJP	NA	NA
+PJ102207	GSSSSTCCCK 	C33H59N11O16S3	961.3304	NA	PeJP	NA	NA
+PJ102208	GSSCEMYW 	C41H55N9O14S2	961.331	NA	PeJP	NA	NA
+PJ102209	STCCMMMR 	C34H63N11O11S5	961.3312	NA	PeJP	NA	NA
+PJ102210	CNMMMFW 	C42H59N9O9S4	961.3319	NA	PeJP	NA	NA
+PJ102211	CCNNHWW 	C42H51N13O10S2	961.3324	NA	PeJP	NA	NA
+PJ102212	GSSSSDEMY 	C37H55N9O19S	961.3335	NA	PeJP	NA	NA
+PJ102213	GSNEMMMY 	C38H59N9O14S3	961.3344	NA	PeJP	NA	NA
+PJ102214	SSCNNDHW 	C38H51N13O15S	961.3349	NA	PeJP	NA	NA
+PJ102215	GCMYYYY 	C46H55N7O12S2	961.335	NA	PeJP	NA	NA
+PJ102216	PCCCKMMF 	C39H63N9O9S5	961.3353	NA	PeJP	NA	NA
+PJ102217	GCCQMHHF 	C39H55N13O10S3	961.3357	NA	PeJP	NA	NA
+PJ102218	GGVCCCHHF 	C39H55N13O10S3	961.3358	NA	PeJP	NA	NA
+PJ102219	SSSSNNDDH 	C34H51N13O20	961.3374	NA	PeJP	NA	NA
+PJ102220	DEEEMFY 	C42H55N7O17S	961.3376	NA	PeJP	NA	NA
+PJ102221	GSSSTMMMM 	C35H63N9O14S4	961.3378	NA	PeJP	NA	NA
+PJ102222	ACCDEEHR 	C35H55N13O15S2	961.3382	NA	PeJP	NA	NA
+PJ102223	GCDDEMHR 	C35H55N13O15S2	961.3383	NA	PeJP	NA	NA
+PJ102224	GCKMMMMM 	C36H67N9O9S6	961.3386	NA	PeJP	NA	NA
+PJ102225	SCDEHWW 	C43H51N11O13S	961.3389	NA	PeJP	NA	NA
+PJ102226	TCCCKMHH 	C36H59N13O10S4	961.3391	NA	PeJP	NA	NA
+PJ102227	PCCMHWW 	C44H55N11O8S3	961.3398	NA	PeJP	NA	NA
+PJ102228	SSSDDEHW 	C39H51N11O18	961.3414	NA	PeJP	NA	NA
+PJ102229	NDEMMHW 	C40H55N11O13S2	961.3423	NA	PeJP	NA	NA
+PJ102230	SSSSSCNQY 	C36H55N11O18S	961.3447	NA	PeJP	NA	NA
+PJ102231	GGSSSSSCQY 	C36H55N11O18S	961.3448	NA	PeJP	NA	NA
+PJ102232	PDDDEWW 	C44H51N9O16	961.3454	NA	PeJP	NA	NA
+PJ102233	GSCDMMRY 	C37H59N11O13S3	961.3456	NA	PeJP	NA	NA
+PJ102234	GGGGSPPPCCM 	C37H59N11O13S3	961.3457	NA	PeJP	NA	NA
+PJ102235	GNDDMHHH 	C37H51N15O14S	961.3461	NA	PeJP	NA	NA
+PJ102236	SSCMYWW 	C45H55N9O11S2	961.3463	NA	PeJP	NA	NA
+PJ102237	GCCCHHFR 	C38H55N15O9S3	961.347	NA	PeJP	NA	NA
+PJ102238	SSSSSSSCCK 	C33H59N11O18S2	961.3481	NA	PeJP	NA	NA
+PJ102239	GSNNNNNND 	C33H51N15O19	961.3486	NA	PeJP	NA	NA
+PJ102240	GGGGGGGGGGGGGSD 	C33H51N15O19	961.3487	NA	PeJP	NA	NA
+PJ102241	SSSSDMYW 	C41H55N9O16S	961.3488	NA	PeJP	NA	NA
+PJ102242	SSTCCCCKK 	C34H63N11O13S4	961.349	NA	PeJP	NA	NA
+PJ102243	SCCNNEHR 	C34H55N15O14S2	961.3495	NA	PeJP	NA	NA
+PJ102244	SNMMMYW 	C42H59N9O11S3	961.3496	NA	PeJP	NA	NA
+PJ102245	GGSMMMYW 	C42H59N9O11S3	961.3497	NA	PeJP	NA	NA
+PJ102246	SSSSSSEEY 	C37H55N9O21	961.3513	NA	PeJP	NA	NA
+PJ102247	SSSQEMMY 	C38H59N9O16S2	961.3521	NA	PeJP	NA	NA
+PJ102248	AASSSDMMY 	C38H59N9O16S2	961.3522	NA	PeJP	NA	NA
+PJ102249	GNNNNDEW 	C38H51N13O17	961.3526	NA	PeJP	NA	NA
+PJ102250	GGGGGGGNDEW 	C38H51N13O17	961.3527	NA	PeJP	NA	NA
+PJ102251	STCYYYY 	C46H55N7O14S	961.3528	NA	PeJP	NA	NA
+PJ102252	QQMMMMY 	C39H63N9O11S4	961.353	NA	PeJP	NA	NA
+PJ102253	CDDMHRW 	C39H55N13O12S2	961.3535	NA	PeJP	NA	NA
+PJ102254	TEEEEYY 	C42H55N7O19	961.3553	NA	PeJP	NA	NA
+PJ102255	SSSSTTMMM 	C35H63N9O16S3	961.3555	NA	PeJP	NA	NA
+PJ102256	SSDDDMHR 	C35H55N13O17S	961.356	NA	PeJP	NA	NA
+PJ102257	PEEMMYY 	C43H59N7O14S2	961.3562	NA	PeJP	NA	NA
+PJ102258	STCKMMMM 	C36H67N9O11S5	961.3564	NA	PeJP	NA	NA
+PJ102259	NDDEHFW 	C43H51N11O15	961.3567	NA	PeJP	NA	NA
+PJ102260	SPCCEMHR 	C36H59N13O12S3	961.3569	NA	PeJP	NA	NA
+PJ102261	SCNNNHHH 	C36H51N17O13S	961.3573	NA	PeJP	NA	NA
+PJ102262	GGGGSCNHHH 	C36H51N17O13S	961.3574	NA	PeJP	NA	NA
+PJ102263	GDMMHWW 	C44H55N11O10S2	961.3575	NA	PeJP	NA	NA
+PJ102264	GSSEEMHW 	C40H55N11O15S	961.36	NA	PeJP	NA	NA
+PJ102265	TCCMRYW 	C41H59N11O10S3	961.3609	NA	PeJP	NA	NA
+PJ102266	CNEHHHW 	C41H51N15O11S	961.3614	NA	PeJP	NA	NA
+PJ102267	ACCFFWW 	C49H55N9O8S2	961.3615	NA	PeJP	NA	NA
+PJ102268	GSSSSSSSNY 	C36H55N11O20	961.3625	NA	PeJP	NA	NA
+PJ102269	GGGGGGVDEEE 	C36H55N11O20	961.3626	NA	PeJP	NA	NA
+PJ102270	SSSCEMRY 	C37H59N11O15S2	961.3634	NA	PeJP	NA	NA
+PJ102271	SSNDEHHH 	C37H51N15O16	961.3639	NA	PeJP	NA	NA
+PJ102272	GNEMYYW 	C45H55N9O13S	961.364	NA	PeJP	NA	NA
+PJ102273	CQMMMRY 	C38H63N11O10S4	961.3642	NA	PeJP	NA	NA
+PJ102274	GACMMMRY 	C38H63N11O10S4	961.3643	NA	PeJP	NA	NA
+PJ102275	GSCCNHRW 	C38H55N15O11S2	961.3647	NA	PeJP	NA	NA
+PJ102276	CMMHFFF 	C46H59N9O8S3	961.3649	NA	PeJP	NA	NA
+PJ102277	ASPDEEEW 	C41H55N9O18	961.3665	NA	PeJP	NA	NA
+PJ102278	GSPEEEEW 	C41H55N9O18	961.3666	NA	PeJP	NA	NA
+PJ102279	GSSSCNDHR 	C34H55N15O16S	961.3672	NA	PeJP	NA	NA
+PJ102280	GGGGGGGGNNQM 	C34H55N15O16S	961.3673	NA	PeJP	NA	NA
+PJ102281	GSSTMMYW 	C42H59N9O13S2	961.3674	NA	PeJP	NA	NA
+PJ102282	NNNNDWW 	C42H51N13O14	961.3679	NA	PeJP	NA	NA
+PJ102283	GCFFYYY 	C50H55N7O11S	961.3681	NA	PeJP	NA	NA
+PJ102284	GSSSTTEMY 	C38H59N9O18S	961.3699	NA	PeJP	NA	NA
+PJ102285	PDEEFYY 	C46H55N7O16	961.3706	NA	PeJP	NA	NA
+PJ102286	GSDKMMMY 	C39H63N9O13S3	961.3708	NA	PeJP	NA	NA
+PJ102287	SSSNNMHW 	C39H55N13O14S	961.3712	NA	PeJP	NA	NA
+PJ102288	GPCNDDRW 	C39H55N13O14S	961.3713	NA	PeJP	NA	NA
+PJ102289	GDDHFWW 	C47H51N11O12	961.3719	NA	PeJP	NA	NA
+PJ102290	PPCCCHFR 	C40H59N13O9S3	961.3721	NA	PeJP	NA	NA
+PJ102291	SSSSSNQEH 	C35H55N13O19	961.3737	NA	PeJP	NA	NA
+PJ102292	GNNDEEER 	C35H55N13O19	961.3738	NA	PeJP	NA	NA
+PJ102293	VEEEMYY 	C43H59N7O16S	961.3739	NA	PeJP	NA	NA
+PJ102294	GSDEMMHR 	C36H59N13O14S2	961.3746	NA	PeJP	NA	NA
+PJ102295	GGGGGGGGPQMM 	C36H59N13O14S2	961.3747	NA	PeJP	NA	NA
+PJ102296	SSEMHWW 	C44H55N11O12S	961.3753	NA	PeJP	NA	NA
+PJ102297	CCMMRRY 	C37H63N13O9S4	961.3755	NA	PeJP	NA	NA
+PJ102298	GCHHHWW 	C45H51N15O8S	961.3766	NA	PeJP	NA	NA
+PJ102299	SSSTEEHW 	C40H55N11O17	961.3778	NA	PeJP	NA	NA
+PJ102300	CNNNNNNR 	C33H55N17O15S	961.3785	NA	PeJP	NA	NA
+PJ102301	TQEMMHW 	C41H59N11O12S2	961.3786	NA	PeJP	NA	NA
+PJ102302	GATEMMHW 	C41H59N11O12S2	961.3787	NA	PeJP	NA	NA
+PJ102303	GSSDHHHW 	C41H51N15O13	961.3791	NA	PeJP	NA	NA
+PJ102304	NMYYWW 	C49H55N9O10S	961.3793	NA	PeJP	NA	NA
+PJ102305	GGACCCHRR 	C34H59N17O10S3	961.3794	NA	PeJP	NA	NA
+PJ102306	SSSSSCNKY 	C37H59N11O17S	961.3811	NA	PeJP	NA	NA
+PJ102307	GPDEEEMR 	C37H59N11O17S	961.3812	NA	PeJP	NA	NA
+PJ102308	SPEEEWW 	C45H55N9O15	961.3818	NA	PeJP	NA	NA
+PJ102309	GSSMMMRY 	C38H63N11O12S3	961.382	NA	PeJP	NA	NA
+PJ102310	GCNNDHFR 	C38H55N15O13S	961.3825	NA	PeJP	NA	NA
+PJ102311	PPDMMWW 	C46H59N9O10S2	961.3827	NA	PeJP	NA	NA
+PJ102312	GNDDDDRR 	C34H55N15O18	961.385	NA	PeJP	NA	NA
+MJ098784	Micropeptin 90 	C42H59N9O15S	961.385132	NA	MeJP	NA	NA
+PJ102313	SSSTTMYW 	C42H59N9O15S	961.3852	NA	PeJP	NA	NA
+PJ102314	QYYYYY 	C50H55N7O13	961.3858	NA	PeJP	NA	NA
+PJ102315	SSCNQMHR 	C35H59N15O13S2	961.3859	NA	PeJP	NA	NA
+PJ102316	TCKMMYW 	C43H63N9O10S3	961.386	NA	PeJP	NA	NA
+PJ102317	GGAAMMMFF 	C43H63N9O10S3	961.3861	NA	PeJP	NA	NA
+PJ102318	NNNMHFW 	C43H55N13O11S	961.3865	NA	PeJP	NA	NA
+PJ102319	SSSSTTTEY 	C38H59N9O20	961.3876	NA	PeJP	NA	NA
+PJ102320	GLQEEEEE 	C38H59N9O20	961.3877	NA	PeJP	NA	NA
+PJ102321	SSSKEMMY 	C39H63N9O15S2	961.3885	NA	PeJP	NA	NA
+PJ102322	GAPPTEEMM 	C39H63N9O15S2	961.3886	NA	PeJP	NA	NA
+PJ102323	NNDEERW 	C39H55N13O16	961.389	NA	PeJP	NA	NA
+PJ102324	GGGGGGGGGAPDF 	C39H55N13O16	961.3891	NA	PeJP	NA	NA
+PJ102325	PPEMYYY 	C47H59N7O13S	961.3892	NA	PeJP	NA	NA
+PJ102326	QKMMMMY 	C40H67N9O10S4	961.3894	NA	PeJP	NA	NA
+PJ102327	SDMMHRW 	C40H59N13O11S2	961.3899	NA	PeJP	NA	NA
+PJ102328	EEHHHHH 	C40H51N17O12	961.3904	NA	PeJP	NA	NA
+PJ102329	GPCQWWW 	C48H55N11O9S	961.3905	NA	PeJP	NA	NA
+PJ102330	SSSEEMHR 	C36H59N13O16S	961.3924	NA	PeJP	NA	NA
+PJ102331	LEEMMFY 	C44H63N7O13S2	961.3926	NA	PeJP	NA	NA
+PJ102332	GQQEEWW 	C44H55N11O14	961.393	NA	PeJP	NA	NA
+PJ102333	GGGAAEEWW 	C44H55N11O14	961.3931	NA	PeJP	NA	NA
+PJ102334	QEMMMHR 	C37H63N13O11S3	961.3933	NA	PeJP	NA	NA
+PJ102335	GSCEHHHR 	C37H55N17O12S	961.3937	NA	PeJP	NA	NA
+PJ102336	ATMMHWW 	C45H59N11O9S2	961.3939	NA	PeJP	NA	NA
+PJ102337	PDEEMRW 	C41H59N11O14S	961.3964	NA	PeJP	NA	NA
+PJ102338	GSTYYWW 	C49H55N9O12	961.397	NA	PeJP	NA	NA
+PJ102339	PPDDFWW 	C49H55N9O12	961.3971	NA	PeJP	NA	NA
+PJ102340	VQMMMHW 	C42H63N11O9S3	961.3973	NA	PeJP	NA	NA
+PJ102341	SQMHHHW 	C42H55N15O10S	961.3977	NA	PeJP	NA	NA
+PJ102342	GGTMHHHW 	C42H55N15O10S	961.3978	NA	PeJP	NA	NA
+PJ102343	AAEEEEER 	C37H59N11O19	961.3989	NA	PeJP	NA	NA
+PJ102344	SSSTMMRY 	C38H63N11O14S2	961.3998	NA	PeJP	NA	NA
+PJ102345	GSNNNDRW 	C38H55N15O15	961.4002	NA	PeJP	NA	NA
+PJ102346	GGGGGSNDRW 	C38H55N15O15	961.4003	NA	PeJP	NA	NA
+PJ102347	PVDEMWW 	C46H59N9O12S	961.4004	NA	PeJP	NA	NA
+PJ102348	CKMMMRY 	C39H67N11O9S4	961.4006	NA	PeJP	NA	NA
+PJ102349	PPPCMMMR 	C39H67N11O9S4	961.4007	NA	PeJP	NA	NA
+PJ102350	AAQMMHHH 	C39H59N15O10S2	961.4011	NA	PeJP	NA	NA
+PJ102351	GSNHHHHH 	C39H51N19O11	961.4016	NA	PeJP	NA	NA
+PJ102352	PPCHHWW 	C47H55N13O8S	961.4018	NA	PeJP	NA	NA
+PJ102353	LQEEEEW 	C42H59N9O17	961.4029	NA	PeJP	NA	NA
+PJ102354	SPCNDDRR 	C35H59N15O15S	961.4036	NA	PeJP	NA	NA
+PJ102355	GGGGGGGGAEMR 	C35H59N15O15S	961.4037	NA	PeJP	NA	NA
+PJ102356	APPTEMMW 	C43H63N9O12S2	961.4038	NA	PeJP	NA	NA
+PJ102357	GNDERWW 	C43H55N13O13	961.4043	NA	PeJP	NA	NA
+PJ102358	CEMMHRR 	C36H63N15O10S3	961.4045	NA	PeJP	NA	NA
+PJ102359	SSSSSTLMY 	C39H63N9O17S	961.4063	NA	PeJP	NA	NA
+PJ102360	PVEEYYY 	C47H59N7O15	961.4069	NA	PeJP	NA	NA
+PJ102361	VEEEFFY 	C47H59N7O15	961.407	NA	PeJP	NA	NA
+PJ102362	GTTKMMMY 	C40H67N9O12S3	961.4072	NA	PeJP	NA	NA
+PJ102363	GSPNDMRW 	C40H59N13O13S	961.4076	NA	PeJP	NA	NA
+PJ102364	GGGSPDMRW 	C40H59N13O13S	961.4077	NA	PeJP	NA	NA
+PJ102365	QQEWWW 	C48H55N11O11	961.4083	NA	PeJP	NA	NA
+PJ102366	AMMMHRW 	C41H63N13O8S3	961.4085	NA	PeJP	NA	NA
+PJ102367	SCHHHRW 	C41H55N17O9S	961.409	NA	PeJP	NA	NA
+3109	adrenocorticotropin hormone fr,: 4-10	MEHFRWG	961.4094	celiac toxic	Inhouse_peptide	NA	peptide
+PJ102368	GSQQEEER 	C36H59N13O18	961.4101	NA	PeJP	NA	NA
+PJ102369	DEEEERR 	C36H59N13O18	961.4102	NA	PeJP	NA	NA
+PJ102370	GTTEMMHR 	C37H63N13O13S2	961.411	NA	PeJP	NA	NA
+PJ102371	SSSDHHHR 	C37H55N17O14	961.4115	NA	PeJP	NA	NA
+PJ102372	SPQQMWW 	C45H59N11O11S	961.4116	NA	PeJP	NA	NA
+PJ102373	TTTMHWW 	C45H59N11O11S	961.4117	NA	PeJP	NA	NA
+PJ102374	NFFYWW 	C53H55N9O9	961.4123	NA	PeJP	NA	NA
+PJ102375	GGMMHHHR 	C38H59N17O9S2	961.4124	NA	PeJP	NA	NA
+PJ102376	SSPTQQEW 	C41H59N11O16	961.4141	NA	PeJP	NA	NA
+PJ102377	VDEEERW 	C41H59N11O16	961.4142	NA	PeJP	NA	NA
+PJ102378	GCNNNERR 	C34H59N17O14S	961.4149	NA	PeJP	NA	NA
+PJ102379	TKEMMHW 	C42H63N11O11S2	961.415	NA	PeJP	NA	NA
+PJ102380	GGGGGPLMMW 	C42H63N11O11S2	961.4151	NA	PeJP	NA	NA
+PJ102381	PDDHHRW 	C42H55N15O12	961.4155	NA	PeJP	NA	NA
+PJ102382	GQMFFFW 	C50H59N9O9S	961.4157	NA	PeJP	NA	NA
+PJ102383	APTEEEMR 	C38H63N11O16S	961.4175	NA	PeJP	NA	NA
+PJ102384	GGGGPTKEEM 	C38H63N11O16S	961.4176	NA	PeJP	NA	NA
+PJ102385	ALEEEWW 	C46H59N9O14	961.4182	NA	PeJP	NA	NA
+PJ102386	SCCCKKKY 	C39H67N11O11S3	961.4184	NA	PeJP	NA	NA
+PJ102387	NNNQMRW 	C39H59N15O12S	961.4189	NA	PeJP	NA	NA
+PJ102388	GKMMFYW 	C47H63N9O9S2	961.4191	NA	PeJP	NA	NA
+PJ102389	NDRWWW 	C47H55N13O10	961.4195	NA	PeJP	NA	NA
+PJ102390	GSNDEERR 	C35H59N15O17	961.4214	NA	PeJP	NA	NA
+PJ102391	TQKEMYY 	C43H63N9O14S	961.4215	NA	PeJP	NA	NA
+PJ102392	GPTLEEMW 	C43H63N9O14S	961.4216	NA	PeJP	NA	NA
+PJ102393	KYYYYY 	C51H59N7O12	961.4222	NA	PeJP	NA	NA
+PJ102394	GPCNEMRR 	C36H63N15O12S2	961.4223	NA	PeJP	NA	NA
+PJ102395	GPPLMMMW 	C44H67N9O9S3	961.4224	NA	PeJP	NA	NA
+PJ102396	GNNNNHHR 	C36H55N19O13	961.4227	NA	PeJP	NA	NA
+PJ102397	GGGGGGGGGHHR 	C36H55N19O13	961.4228	NA	PeJP	NA	NA
+PJ102398	SPCQRWW 	C44H59N13O10S	961.4229	NA	PeJP	NA	NA
+PJ102399	AQWWWW 	C52H55N11O8	961.4235	NA	PeJP	NA	NA
+PJ102400	GAAWWWW 	C52H55N11O8	961.4236	NA	PeJP	NA	NA
+PJ102401	SSTTTTTTY 	C39H63N9O19	961.424	NA	PeJP	NA	NA
+PJ102402	GLKEEEEE 	C39H63N9O19	961.4241	NA	PeJP	NA	NA
+PJ102403	STTTKMMY 	C40H67N9O14S2	961.4249	NA	PeJP	NA	NA
+PJ102404	SQQEERW 	C40H59N13O15	961.4254	NA	PeJP	NA	NA
+PJ102405	PLEMFYY 	C48H63N7O12S	961.4256	NA	PeJP	NA	NA
+PJ102406	KKMMMMY 	C41H71N9O9S4	961.4258	NA	PeJP	NA	NA
+PJ102407	TTMMHRW 	C41H63N13O10S2	961.4263	NA	PeJP	NA	NA
+PJ102408	NDHHHFR 	C41H55N17O11	961.4267	NA	PeJP	NA	NA
+PJ102409	GGDHHHFR 	C41H55N17O11	961.4268	NA	PeJP	NA	NA
+PJ102410	GPCKWWW 	C49H59N11O8S	961.4269	NA	PeJP	NA	NA
+PJ102411	STTTEMHR 	C37H63N13O15S	961.4288	NA	PeJP	NA	NA
+PJ102412	LLEMMYY 	C45H67N7O12S2	961.4289	NA	PeJP	NA	NA
+PJ102413	GQKEEWW 	C45H59N11O13	961.4294	NA	PeJP	NA	NA
+PJ102414	KEMMMHR 	C38H67N13O10S3	961.4296	NA	PeJP	NA	NA
+PJ102415	GAPPCCKMR 	C38H67N13O10S3	961.4297	NA	PeJP	NA	NA
+PJ102416	CNNNRRW 	C38H59N17O11S	961.4301	NA	PeJP	NA	NA
+PJ102417	LMMHHFF 	C46H63N11O8S2	961.4303	NA	PeJP	NA	NA
+PJ102418	AQHHHFW 	C46H55N15O9	961.4308	NA	PeJP	NA	NA
+PJ102419	SSNNNDRR 	C34H59N17O16	961.4326	NA	PeJP	NA	NA
+PJ102420	SSTTLMHW 	C42H63N11O13S	961.4328	NA	PeJP	NA	NA
+PJ102421	PPVDYWW 	C50H59N9O11	961.4334	NA	PeJP	NA	NA
+PJ102422	GPPPDFFW 	C50H59N9O11	961.4335	NA	PeJP	NA	NA
+PJ102423	VKMMMHW 	C43H67N11O8S3	961.4337	NA	PeJP	NA	NA
+PJ102424	SKMHHHW 	C43H59N15O9S	961.4341	NA	PeJP	NA	NA
+PJ102425	GTLEEEER 	C38H63N11O18	961.4353	NA	PeJP	NA	NA
+PJ102426	GPLEEMMR 	C39H67N11O13S2	961.4362	NA	PeJP	NA	NA
+PJ102427	SNDERRW 	C39H59N15O14	961.4366	NA	PeJP	NA	NA
+PJ102428	GGGGGGGTTRW 	C39H59N15O14	961.4367	NA	PeJP	NA	NA
+PJ102429	PTLEMWW 	C47H63N9O11S	961.4368	NA	PeJP	NA	NA
+PJ102430	PCNMRRW 	C40H63N15O9S2	961.4375	NA	PeJP	NA	NA
+PJ102431	MHFRWW 	C48H59N13O7S	961.4382	NA	PeJP	NA	NA
+PJ102432	LKEEEEW 	C43H63N9O16	961.4393	NA	PeJP	NA	NA
+PJ102433	NQEEMRR 	C36H63N15O14S	961.44	NA	PeJP	NA	NA
+PJ102434	GPVLEMMW 	C44H67N9O11S2	961.4402	NA	PeJP	NA	NA
+PJ102435	ASQERWW 	C44H59N13O12	961.4406	NA	PeJP	NA	NA
+PJ102436	GTQERWW 	C44H59N13O12	961.4407	NA	PeJP	NA	NA
+PJ102437	TMMMHRR 	C37H67N15O9S3	961.4409	NA	PeJP	NA	NA
+PJ102438	SPLKEEEM 	C40H67N9O16S	961.4427	NA	PeJP	NA	NA
+PJ102439	VLEEFYY 	C48H63N7O14	961.4433	NA	PeJP	NA	NA
+PJ102440	PPVKEMMM 	C41H71N9O11S3	961.4436	NA	PeJP	NA	NA
+PJ102441	VNQEMRW 	C41H63N13O12S	961.444	NA	PeJP	NA	NA
+PJ102442	GGGGGGGVKMW 	C41H63N13O12S	961.4441	NA	PeJP	NA	NA
+PJ102443	QKEWWW 	C49H59N11O10	961.4447	NA	PeJP	NA	NA
+PJ102444	GSQKEEER 	C37H63N13O17	961.4465	NA	PeJP	NA	NA
+PJ102445	GGGGGGSKKEE 	C37H63N13O17	961.4466	NA	PeJP	NA	NA
+PJ102446	SSTLMMHR 	C38H67N13O12S2	961.4474	NA	PeJP	NA	NA
+PJ102447	SSTTHHHR 	C38H59N17O13	961.4479	NA	PeJP	NA	NA
+PJ102448	SPQKMWW 	C46H63N11O10S	961.448	NA	PeJP	NA	NA
+PJ102449	GGPTKMWW 	C46H63N11O10S	961.4481	NA	PeJP	NA	NA
+PJ102450	AHFFFFF 	C54H59N9O8	961.4487	NA	PeJP	NA	NA
+PJ102451	NKKEEEW 	C42H63N11O15	961.4505	NA	PeJP	NA	NA
+PJ102452	TLEEERW 	C42H63N11O15	961.4506	NA	PeJP	NA	NA
+PJ102453	NDDMRRR 	C35H63N17O13S	961.4512	NA	PeJP	NA	NA
+PJ102454	GGDDMRRR 	C35H63N17O13S	961.4513	NA	PeJP	NA	NA
+PJ102455	PLEMMRW 	C43H67N11O10S2	961.4514	NA	PeJP	NA	NA
+PJ102456	GSDRRWW 	C43H59N15O11	961.4519	NA	PeJP	NA	NA
+PJ102457	PPVMFWW 	C51H63N9O8S	961.4521	NA	PeJP	NA	NA
+PJ102458	GVLEEEMR 	C39H67N11O15S	961.4539	NA	PeJP	NA	NA
+MJ098785	Antibiotic WS 7622; Antibiotic WS 7622A 	C47H63N9O13	961.454533	NA	MeJP	NA	NA
+PJ102459	SLLEEWW 	C47H63N9O13	961.4546	NA	PeJP	NA	NA
+PJ102460	SPPLMMMR 	C40H71N11O10S3	961.4548	NA	PeJP	NA	NA
+PJ102461	CNQQKRW 	C40H63N15O11S	961.4552	NA	PeJP	NA	NA
+PJ102462	GQEMRRW 	C40H63N15O11S	961.4553	NA	PeJP	NA	NA
+PJ102463	PVLMMWW 	C48H67N9O8S2	961.4554	NA	PeJP	NA	NA
+PJ102464	TQRWWW 	C48H59N13O9	961.4559	NA	PeJP	NA	NA
+PJ102465	SSSSSSKHR 	C36H63N15O16	961.4577	NA	PeJP	NA	NA
+PJ102466	GSTQEERR 	C36H63N15O16	961.4578	NA	PeJP	NA	NA
+PJ102467	SSPLLEMW 	C44H67N9O13S	961.4579	NA	PeJP	NA	NA
+PJ102468	AALLEEMW 	C44H67N9O13S	961.458	NA	PeJP	NA	NA
+PJ102469	PPLFYYY 	C52H63N7O11	961.4586	NA	PeJP	NA	NA
+PJ102470	GGGGPCCKKR 	C37H67N15O11S2	961.4587	NA	PeJP	NA	NA
+PJ102471	KKMMMFF 	C45H71N9O8S3	961.4588	NA	PeJP	NA	NA
+PJ102472	NNEHHRR 	C37H59N19O12	961.4591	NA	PeJP	NA	NA
+PJ102473	GVQMRWW 	C45H63N13O9S	961.4593	NA	PeJP	NA	NA
+PJ102474	AKWWWW 	C53H59N11O7	961.4599	NA	PeJP	NA	NA
+PJ102475	TTLLQEEE 	C40H67N9O18	961.4604	NA	PeJP	NA	NA
+PJ102476	SVLKEEEE 	C40H67N9O18	961.4605	NA	PeJP	NA	NA
+PJ102477	PVVKEEMM 	C41H71N9O13S2	961.4613	NA	PeJP	NA	NA
+PJ102478	SQKEERW 	C41H63N13O14	961.4618	NA	PeJP	NA	NA
+PJ102479	PLLMYYY 	C49H67N7O11S	961.462	NA	PeJP	NA	NA
+PJ102480	GSCNNRRR 	C34H63N19O12S	961.4625	NA	PeJP	NA	NA
+PJ102481	PNKMMRW 	C42H67N13O9S2	961.4627	NA	PeJP	NA	NA
+PJ102482	AQQHHRW 	C42H59N17O10	961.4631	NA	PeJP	NA	NA
+PJ102483	ASLQQEMR 	C38H67N13O14S	961.4651	NA	PeJP	NA	NA
+PJ102484	LEEEMRR 	C38H67N13O14S	961.4652	NA	PeJP	NA	NA
+PJ102485	GKKEEWW 	C46H63N11O12	961.4658	NA	PeJP	NA	NA
+PJ102486	PPCCKKMR 	C39H71N13O9S3	961.466	NA	PeJP	NA	NA
+PJ102487	GCERRRW 	C39H63N17O10S	961.4665	NA	PeJP	NA	NA
+PJ102488	AKHHHFW 	C47H59N15O8	961.4671	NA	PeJP	NA	NA
+PJ102489	GSSDERRR 	C35H63N17O15	961.469	NA	PeJP	NA	NA
+PJ102490	VLEEMRW 	C43H67N11O12S	961.4692	NA	PeJP	NA	NA
+PJ102491	PPTLYWW 	C51H63N9O10	961.4698	NA	PeJP	NA	NA
+PJ102492	GSPCMRRR 	C36H67N17O10S2	961.4699	NA	PeJP	NA	NA
+PJ102493	QMRRWW 	C44H63N15O8S	961.4705	NA	PeJP	NA	NA
+PJ102494	SSLLEEER 	C39H67N11O17	961.4717	NA	PeJP	NA	NA
+PJ102495	TTTLKMMH 	C40H71N11O12S2	961.4725	NA	PeJP	NA	NA
+PJ102496	SPVLEMMR 	C40H71N11O12S2	961.4726	NA	PeJP	NA	NA
+PJ102497	STQERRW 	C40H63N15O13	961.473	NA	PeJP	NA	NA
+PJ102498	GGGGGGGGALFR 	C40H63N15O13	961.4731	NA	PeJP	NA	NA
+PJ102499	VVLEMWW 	C48H67N9O10S	961.4732	NA	PeJP	NA	NA
+PJ102500	CLMHFRR 	C41H67N15O8S2	961.4739	NA	PeJP	NA	NA
+PJ102501	GNHHRRW 	C41H59N19O9	961.4744	NA	PeJP	NA	NA
+PJ102502	ATTLLEEW 	C44H67N9O15	961.4757	NA	PeJP	NA	NA
+PJ102503	NKEEMRR 	C37H67N15O13S	961.4764	NA	PeJP	NA	NA
+PJ102504	APTLLMMW 	C45H71N9O10S2	961.4766	NA	PeJP	NA	NA
+PJ102505	GTKERWW 	C45H63N13O11	961.477	NA	PeJP	NA	NA
+PJ102506	GGGGSKKWW 	C45H63N13O11	961.4771	NA	PeJP	NA	NA
+PJ102507	ALLKEEEM 	C41H71N9O15S	961.4791	NA	PeJP	NA	NA
+PJ102508	VLLEYYY 	C49H67N7O13	961.4797	NA	PeJP	NA	NA
+PJ102509	PVLLQMMM 	C42H75N9O10S3	961.4799	NA	PeJP	NA	NA
+PJ102510	GGPLLLMMM 	C42H75N9O10S3	961.48	NA	PeJP	NA	NA
+PJ102511	VNKEMRW 	C42H67N13O11S	961.4804	NA	PeJP	NA	NA
+PJ102512	KKEWWW 	C50H63N11O9	961.4811	NA	PeJP	NA	NA
+PJ102513	CRRRWW 	C43H63N17O7S	961.4818	NA	PeJP	NA	NA
+PJ102514	GSKKEEER 	C38H67N13O16	961.4829	NA	PeJP	NA	NA
+PJ102515	GPDKKMMR 	C39H71N13O11S2	961.4838	NA	PeJP	NA	NA
+PJ102516	NNQQFRR 	C39H63N17O12	961.4842	NA	PeJP	NA	NA
+PJ102517	SSDRRRW 	C39H63N17O12	961.4843	NA	PeJP	NA	NA
+PJ102518	SPKKMWW 	C47H67N11O9S	961.4844	NA	PeJP	NA	NA
+PJ102519	DKKKEEW 	C43H67N11O14	961.4869	NA	PeJP	NA	NA
+PJ102520	AAAAAAPKEY 	C43H67N11O14	961.487	NA	PeJP	NA	NA
+PJ102521	SQEMRRR 	C36H67N17O12S	961.4876	NA	PeJP	NA	NA
+PJ102522	AAPKKMMW 	C44H71N11O9S2	961.4878	NA	PeJP	NA	NA
+PJ102523	GTTRRWW 	C44H63N15O10	961.4883	NA	PeJP	NA	NA
+PJ102524	ATLLEEMR 	C40H71N11O14S	961.4903	NA	PeJP	NA	NA
+PJ102525	PTKKYYY 	C48H67N9O12	961.4909	NA	PeJP	NA	NA
+PJ102526	AAPLLEYW 	C48H67N9O12	961.491	NA	PeJP	NA	NA
+PJ102527	APLLMMMR 	C41H75N11O9S3	961.4912	NA	PeJP	NA	NA
+PJ102528	ADKMRRW 	C41H67N15O10S	961.4916	NA	PeJP	NA	NA
+PJ102529	GKEMRRW 	C41H67N15O10S	961.4917	NA	PeJP	NA	NA
+PJ102530	TKRWWW 	C49H63N13O8	961.4923	NA	PeJP	NA	NA
+PJ102531	ASSKEERR 	C37H67N15O15	961.4941	NA	PeJP	NA	NA
+PJ102532	GSTKEERR 	C37H67N15O15	961.4942	NA	PeJP	NA	NA
+PJ102533	GTLLLEMW 	C45H71N9O12S	961.4943	NA	PeJP	NA	NA
+3718	NA	PNGLHTRPA	961.4949	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ102534	PLLFFYY 	C53H67N7O10	961.495	NA	PeJP	NA	NA
+PJ102535	NDKHHRR 	C38H63N19O11	961.4955	NA	PeJP	NA	NA
+PJ102536	GVKMRWW 	C46H67N13O8S	961.4957	NA	PeJP	NA	NA
+PJ102537	TTLLKEEE 	C41H71N9O17	961.4968	NA	PeJP	NA	NA
+PJ102538	PTLLKEMM 	C42H75N9O12S2	961.4977	NA	PeJP	NA	NA
+PJ102539	SKKEERW 	C42H67N13O13	961.4982	NA	PeJP	NA	NA
+PJ102540	LLLMFYY 	C50H71N7O10S	961.4983	NA	PeJP	NA	NA
+PJ102541	SCERRRR 	C35H67N19O11S	961.4989	NA	PeJP	NA	NA
+PJ102542	LKMMHFR 	C43H71N13O8S2	961.499	NA	PeJP	NA	NA
+PJ102543	PPNHRRW 	C43H63N17O9	961.4995	NA	PeJP	NA	NA
+PJ102544	SSPKKEMR 	C39H71N13O13S	961.5015	NA	PeJP	NA	NA
+PJ102545	AAKKEEMR 	C39H71N13O13S	961.5016	NA	PeJP	NA	NA
+PJ102546	SVKKEWW 	C47H67N11O11	961.5022	NA	PeJP	NA	NA
+PJ102547	GTMRRRW 	C40H67N17O9S	961.5029	NA	PeJP	NA	NA
+PJ102548	GSTTERRR 	C36H67N17O14	961.5054	NA	PeJP	NA	NA
+PJ102549	LQKKEMW 	C44H71N11O11S	961.5056	NA	PeJP	NA	NA
+PJ102550	PVVLYWW 	C52H67N9O9	961.5062	NA	PeJP	NA	NA
+PJ102551	VNMMRRR 	C37H71N17O9S2	961.5063	NA	PeJP	NA	NA
+PJ102552	SNHHRRR 	C37H63N21O10	961.5067	NA	PeJP	NA	NA
+PJ102553	KMRRWW 	C45H67N15O7S	961.5069	NA	PeJP	NA	NA
+PJ102554	TTTLLEER 	C40H71N11O16	961.5081	NA	PeJP	NA	NA
+PJ102555	GLLLEMMR 	C41H75N11O11S2	961.5089	NA	PeJP	NA	NA
+PJ102556	GGGGVLLKMM 	C41H75N11O11S2	961.509	NA	PeJP	NA	NA
+PJ102557	STKERRW 	C41H67N15O12	961.5094	NA	PeJP	NA	NA
+PJ102558	TLLLMWW 	C49H71N9O9S	961.5096	NA	PeJP	NA	NA
+PJ102559	STTLLLEW 	C45H71N9O14	961.5121	NA	PeJP	NA	NA
+PJ102560	DKKEMRR 	C38H71N15O12S	961.5128	NA	PeJP	NA	NA
+PJ102561	GVLLLMMW 	C46H75N9O9S2	961.513	NA	PeJP	NA	NA
+PJ102562	SSLKRWW 	C46H67N13O10	961.5134	NA	PeJP	NA	NA
+PJ102563	SSPTTILLM 	C42H75N9O14S	961.5154	NA	PeJP	NA	NA
+PJ102564	SLLLKEEM 	C42H75N9O14S	961.5155	NA	PeJP	NA	NA
+PJ102565	PVLLKMMM 	C43H79N9O9S3	961.5163	NA	PeJP	NA	NA
+PJ102566	VDKKMRW 	C43H71N13O10S	961.5168	NA	PeJP	NA	NA
+PJ102567	VVKHFFW 	C51H67N11O8	961.5174	NA	PeJP	NA	NA
+PJ102568	APKKFWW 	C51H67N11O8	961.5175	NA	PeJP	NA	NA
+PJ102569	ATTKKEER 	C39H71N13O15	961.5193	NA	PeJP	NA	NA
+PJ102570	APTKKMMR 	C40H75N13O10S2	961.5202	NA	PeJP	NA	NA
+PJ102571	STTRRRW 	C40H67N17O11	961.5206	NA	PeJP	NA	NA
+PJ102572	GAAEFRRR 	C40H67N17O11	961.5207	NA	PeJP	NA	NA
+PJ102573	ALKKMWW 	C48H71N11O8S	961.5208	NA	PeJP	NA	NA
+PJ102574	GTTLKKEW 	C44H71N11O13	961.5233	NA	PeJP	NA	NA
+PJ102575	SKEMRRR 	C37H71N17O11S	961.524	NA	PeJP	NA	NA
+PJ102576	LLLMMRW 	C45H75N11O8S2	961.5242	NA	PeJP	NA	NA
+MJ098786	Disodium pentaiodobismuthate(2-); Tetrahydrate 	BiH8I5Na2O4	961.524523	NA	MeJP	NA	NA
+PJ102577	GPKRRYW 	C45H67N15O9	961.5247	NA	PeJP	NA	NA
+PJ102578	STLLLEMR 	C41H75N11O13S	961.5267	NA	PeJP	NA	NA
+PJ102579	GPTLLLYW 	C49H71N9O11	961.5273	NA	PeJP	NA	NA
+PJ102580	AALLLEFW 	C49H71N9O11	961.5274	NA	PeJP	NA	NA
+PJ102581	SVKMRRW 	C42H71N15O9S	961.528	NA	PeJP	NA	NA
+PJ102582	SSSLKERR 	C38H71N15O14	961.5305	NA	PeJP	NA	NA
+PJ102583	SSLLLLMW 	C46H75N9O11S	961.5307	NA	PeJP	NA	NA
+PJ102584	LLLFFFY 	C54H71N7O9	961.5314	NA	PeJP	NA	NA
+PJ102585	GDFRRRR 	C39H67N19O10	961.5319	NA	PeJP	NA	NA
+PJ102586	SSSTLLLLE 	C42H75N9O16	961.5332	NA	PeJP	NA	NA
+PJ102587	VVLLKEMM 	C43H79N9O11S2	961.5341	NA	PeJP	NA	NA
+PJ102588	APTLNKRY 	C43H71N13O12	961.5345	NA	PeJP	NA	NA
+PJ102589	GTTTLKRW 	C43H71N13O12	961.5346	NA	PeJP	NA	NA
+PJ102590	STMRRRR 	C36H71N19O10S	961.5352	NA	PeJP	NA	NA
+PJ102591	AAFRRRW 	C44H67N17O8	961.5359	NA	PeJP	NA	NA
+PJ102592	GTLKKEMR 	C40H75N13O12S	961.5379	NA	PeJP	NA	NA
+PJ102593	TTLKKWW 	C48H71N11O10	961.5386	NA	PeJP	NA	NA
+PJ102594	PCKFRRR 	C41H71N17O8S	961.5393	NA	PeJP	NA	NA
+PJ102595	SSSTLRRR 	C37H71N17O13	961.5418	NA	PeJP	NA	NA
+PJ102596	LKKKEMW 	C45H75N11O10S	961.542	NA	PeJP	NA	NA
+PJ102597	VVLLFWW 	C53H71N9O8	961.5426	NA	PeJP	NA	NA
+PJ102598	VTTKKKEE 	C41H75N11O15	961.5444	NA	PeJP	NA	NA
+PJ102599	STLKKKEE 	C41H75N11O15	961.5445	NA	PeJP	NA	NA
+PJ102600	SVLLLMMR 	C42H79N11O10S2	961.5453	NA	PeJP	NA	NA
+PJ102601	PDKKRRY 	C42H71N15O11	961.5458	NA	PeJP	NA	NA
+PJ102602	SPLLLKEY 	C46H75N9O13	961.5485	NA	PeJP	NA	NA
+PJ102603	GTTLKMRR 	C39H75N15O11S	961.5492	NA	PeJP	NA	NA
+PJ102604	PTKKFRW 	C47H71N13O9	961.5498	NA	PeJP	NA	NA
+PJ102605	GTTTLLLLM 	C43H79N9O13S	961.5518	NA	PeJP	NA	NA
+PJ102606	TLKKMRW 	C44H75N13O9S	961.5532	NA	PeJP	NA	NA
+PJ102607	STTLKKER 	C40H75N13O14	961.5557	NA	PeJP	NA	NA
+PJ102608	GVLKKMMR 	C41H79N13O9S2	961.5566	NA	PeJP	NA	NA
+PJ102609	SPKRRRY 	C41H71N17O10	961.557	NA	PeJP	NA	NA
+PJ102610	SSTLLKKW 	C45H75N11O12	961.5597	NA	PeJP	NA	NA
+PJ102611	GSCKKKRR 	C38H75N17O10S	961.5604	NA	PeJP	NA	NA
+PJ102612	VKKKHHW 	C46H71N15O8	961.561	NA	PeJP	NA	NA
+PJ102613	GLKFRRW 	C46H71N15O8	961.5611	NA	PeJP	NA	NA
+PJ102614	SVLKKKEM 	C42H79N11O12S	961.5631	NA	PeJP	NA	NA
+PJ102615	AALLLLYW 	C50H75N9O10	961.5637	NA	PeJP	NA	NA
+PJ102616	PKKMFRR 	C43H75N15O8S	961.5644	NA	PeJP	NA	NA
+PJ102617	STTTLKRR 	C39H75N15O13	961.5669	NA	PeJP	NA	NA
+PJ102618	PVVLLKMY 	C47H79N9O10S	961.5671	NA	PeJP	NA	NA
+PJ102619	LKKMMRR 	C40H79N15O8S2	961.5678	NA	PeJP	NA	NA
+PJ102620	GVRRRRY 	C40H71N19O9	961.5683	NA	PeJP	NA	NA
+PJ102621	STTTTLLLL 	C43H79N9O15	961.5696	NA	PeJP	NA	NA
+PJ102622	TLLLLKMM 	C44H83N9O10S2	961.5705	NA	PeJP	NA	NA
+PJ102623	GSTKKKKW 	C44H75N13O11	961.5709	NA	PeJP	NA	NA
+PJ102624	GGGVLLKRY 	C44H75N13O11	961.571	NA	PeJP	NA	NA
+PJ102625	SSLLKKMR 	C41H79N13O11S	961.5743	NA	PeJP	NA	NA
+PJ102626	VLLLRYW 	C49H75N11O9	961.575	NA	PeJP	NA	NA
+PJ102627	GLLLLMFR 	C46H79N11O9S	961.5783	NA	PeJP	NA	NA
+PJ102628	RRRRRY 	C39H71N21O8	961.5795	NA	PeJP	NA	NA
+PJ102629	SSSSLLLKK 	C42H79N11O14	961.5808	NA	PeJP	NA	NA
+PJ102630	ALLKKKMM 	C43H83N11O9S2	961.5817	NA	PeJP	NA	NA
+PJ102631	VLQKRRY 	C43H75N15O10	961.5822	NA	PeJP	NA	NA
+PJ102632	ALLLLKEY 	C47H79N9O12	961.5849	NA	PeJP	NA	NA
+PJ102633	ATCKKKKR 	C40H79N15O10S	961.5855	NA	PeJP	NA	NA
+PJ102634	GSKKKKMR 	C40H79N15O10S	961.5856	NA	PeJP	NA	NA
+PJ102635	VVKKFRW 	C48H75N13O8	961.5862	NA	PeJP	NA	NA
+PJ102636	SSKKKKKE 	C41H79N13O13	961.5921	NA	PeJP	NA	NA
+PJ102637	ALKRRRY 	C42H75N17O9	961.5934	NA	PeJP	NA	NA
+PJ102638	ATLLLLRY 	C46H79N11O11	961.5961	NA	PeJP	NA	NA
+PJ102639	TTLLKKKM 	C43H83N11O11S	961.5995	NA	PeJP	NA	NA
+PJ102640	PVVLLKFF 	C51H79N9O9	961.6001	NA	PeJP	NA	NA
+PJ102641	SSTKKKKR 	C40H79N15O12	961.6033	NA	PeJP	NA	NA
+PJ102642	VVLLLKMF 	C48H83N9O9S	961.6035	NA	PeJP	NA	NA
+PJ102643	PLKHRRR 	C41H75N19O8	961.6047	NA	PeJP	NA	NA
+PJ102644	AALLKKRY 	C45H79N13O10	961.6073	NA	PeJP	NA	NA
+PJ102645	ATKKKKKM 	C42H83N13O10S	961.6107	NA	PeJP	NA	NA
+PJ102646	LLKKKFW 	C50H79N11O8	961.6113	NA	PeJP	NA	NA
+PJ102647	VLKKRRY 	C44H79N15O9	961.6186	NA	PeJP	NA	NA
+PJ102648	SLLLLLKY 	C48H83N9O11	961.6212	NA	PeJP	NA	NA
+PJ102649	SPPPLLLLL 	C48H83N9O11	961.6213	NA	PeJP	NA	NA
+PJ102650	TTTKKKKK 	C42H83N13O12	961.6285	NA	PeJP	NA	NA
+PJ102651	GLLLKKKY 	C47H83N11O10	961.6325	NA	PeJP	NA	NA
+PJ102652	VVLLLLHR 	C46H83N13O9	961.6437	NA	PeJP	NA	NA
+PJ102653	KKKKKFR 	C45H83N15O8	961.6549	NA	PeJP	NA	NA
+PJ102654	APPLLLLLL 	C49H87N9O10	961.6576	NA	PeJP	NA	NA
+PJ102655	LLLLLLKH 	C48H87N11O9	961.6689	NA	PeJP	NA	NA
+5515	styelin A	GXFGKAFXSVSNFAKKHKTA	962.0064	MH2+	Inhouse_peptide	NA	peptide
+MJ098787	Grandinin; 1-Deglycosyl, 1?-carboxy 	C42H26O27	962.066145	NA	MeJP	NA	NA
+PJ102656	PCCCCCCND 	C31H50N10O13S6	962.1884	NA	PeJP	NA	NA
+PJ102657	CCCCCCYY 	C36H50N8O11S6	962.1924	NA	PeJP	NA	NA
+PJ102658	GCCCCNDDM 	C31H50N10O15S5	962.2061	NA	PeJP	NA	NA
+PJ102659	SCCCCCNNN 	C30H50N12O14S5	962.2173	NA	PeJP	NA	NA
+PJ102660	GGGGGGSCCCCC 	C30H50N12O14S5	962.2174	NA	PeJP	NA	NA
+PJ102661	CCCCCNEW 	C35H50N10O12S5	962.2214	NA	PeJP	NA	NA
+PJ102662	SSCCCCNDE 	C31H50N10O17S4	962.2239	NA	PeJP	NA	NA
+PJ102663	SPCCCCCNM 	C32H54N10O12S6	962.2247	NA	PeJP	NA	NA
+PJ102664	CCDDDDDY 	C35H46N8O20S2	962.227	NA	PeJP	NA	NA
+PJ102665	CCDDDMMM 	C33H54N8O15S5	962.2313	NA	PeJP	NA	NA
+PJ102666	GCCCCCWW 	C39H50N10O9S5	962.2366	NA	PeJP	NA	NA
+PJ102667	GSSCCCCDW 	C35H50N10O14S4	962.2391	NA	PeJP	NA	NA
+PJ102668	GSSSSCCCDD 	C31H50N10O19S3	962.2416	NA	PeJP	NA	NA
+PJ102669	GSCCCNDMM 	C32H54N10O14S5	962.2425	NA	PeJP	NA	NA
+PJ102670	CCDDDDMF 	C36H50N8O17S3	962.2457	NA	PeJP	NA	NA
+PJ102671	CCCDDMHH 	C34H50N12O13S4	962.2504	NA	PeJP	NA	NA
+PJ102672	GSCCCCCER 	C31H54N12O13S5	962.2537	NA	PeJP	NA	NA
+PJ102673	CDDDDDEH 	C34H46N10O21S	962.256	NA	PeJP	NA	NA
+PJ102674	CCCNNDEY 	C35H50N10O16S3	962.2569	NA	PeJP	NA	NA
+PJ102675	SCCCCQMW 	C36H54N10O11S5	962.2577	NA	PeJP	NA	NA
+PJ102676	CCCCCDKW 	C36H54N10O11S5	962.2578	NA	PeJP	NA	NA
+PJ102677	SSSCCCNEM 	C32H54N10O16S4	962.2602	NA	PeJP	NA	NA
+PJ102678	GGSSSCCCEM 	C32H54N10O16S4	962.2603	NA	PeJP	NA	NA
+PJ102679	CCCNQMMM 	C33H58N10O11S6	962.2611	NA	PeJP	NA	NA
+PJ102680	GSCCCCNHH 	C33H50N14O12S4	962.2616	NA	PeJP	NA	NA
+PJ102681	SCDDDDMY 	C36H50N8O19S2	962.2634	NA	PeJP	NA	NA
+PJ102682	PCCCDEMY 	C37H54N8O14S4	962.2643	NA	PeJP	NA	NA
+PJ102683	SCDDMMMM 	C34H58N8O14S5	962.2676	NA	PeJP	NA	NA
+PJ102684	GPCCCNDDH 	C34H50N12O15S3	962.2681	NA	PeJP	NA	NA
+PJ102685	SCCCCCRW 	C35H54N12O10S5	962.269	NA	PeJP	NA	NA
+MJ098788	Isoscoparin; 2''-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl], 4'-O-?-D-glucopyranoside 	C44H50O24	962.269202	NA	MeJP	NA	NA
+MJ098789	Isovitexin; 7-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-glucopyranoside], 4'-O-?-D-glucopyranoside 	C44H50O24	962.269202	NA	MeJP	NA	NA
+MJ098790	3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium(1+); 3-O-[(3,4-Dihydroxy-E-cinnamoyl)-(?4)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside], 5-O-?-D-glucopyranoside 	C44H51O24(+)	962.269202	NA	MeJP	NA	NA
+PJ102686	SSSCCCCDR 	C31H54N12O15S4	962.2715	NA	PeJP	NA	NA
+PJ102687	GCCCNDYW 	C39H50N10O13S3	962.2721	NA	PeJP	NA	NA
+PJ102688	CCCCNMMR 	C32H58N12O10S6	962.2724	NA	PeJP	NA	NA
+PJ102689	GSSCCNDDY 	C35H50N10O18S2	962.2746	NA	PeJP	NA	NA
+PJ102690	GSSSCCCMW 	C36H54N10O13S4	962.2755	NA	PeJP	NA	NA
+PJ102691	GSSSSSCCDM 	C32H54N10O18S3	962.278	NA	PeJP	NA	NA
+PJ102692	GSSCCNMMM 	C33H58N10O13S5	962.2789	NA	PeJP	NA	NA
+PJ102693	GCDDEMMY 	C37H54N8O16S3	962.282	NA	PeJP	NA	NA
+PJ102694	PCCCEMMF 	C38H58N8O11S5	962.2829	NA	PeJP	NA	NA
+PJ102695	CNNDDDMH 	C34H50N12O17S2	962.2859	NA	PeJP	NA	NA
+PJ102696	GCEMMMMM 	C35H62N8O11S6	962.2863	NA	PeJP	NA	NA
+PJ102697	CCCCNDFR 	C35H54N12O12S4	962.2867	NA	PeJP	NA	NA
+PJ102698	GGCCCCDFR 	C35H54N12O12S4	962.2868	NA	PeJP	NA	NA
+PJ102699	GSTCCCCMR 	C32H58N12O12S5	962.2901	NA	PeJP	NA	NA
+PJ102700	GCCCNMFW 	C40H54N10O10S4	962.2908	NA	PeJP	NA	NA
+PJ102701	SDDDDEMH 	C35H50N10O20S	962.2924	NA	PeJP	NA	NA
+PJ102702	SSSSTCCCW 	C36H54N10O15S3	962.2933	NA	PeJP	NA	NA
+PJ102703	SCCCCKMW 	C37H58N10O10S5	962.2941	NA	PeJP	NA	NA
+PJ102704	SSSSSSSCCE 	C32H54N10O20S2	962.2957	NA	PeJP	NA	NA
+PJ102705	GCDDDEFY 	C40H50N8O18S	962.2964	NA	PeJP	NA	NA
+PJ102706	SSSSCCQMM 	C33H58N10O15S4	962.2966	NA	PeJP	NA	NA
+PJ102707	GSCCNNNDH 	C33H50N14O16S2	962.2971	NA	PeJP	NA	NA
+PJ102708	CDDMMYW 	C41H54N8O13S3	962.2973	NA	PeJP	NA	NA
+PJ102709	CCCNKMMM 	C34H62N10O10S6	962.2975	NA	PeJP	NA	NA
+PJ102710	PDDDDEEE 	C36H50N8O23	962.2989	NA	PeJP	NA	NA
+PJ102711	SSDDDMMY 	C37H54N8O18S2	962.2998	NA	PeJP	NA	NA
+PJ102712	SPCCEMMY 	C38H58N8O13S4	962.3007	NA	PeJP	NA	NA
+PJ102713	GCCNDEHW 	C38H50N12O14S2	962.3011	NA	PeJP	NA	NA
+PJ102714	CMMMMMW 	C39H62N8O8S6	962.3015	NA	PeJP	NA	NA
+PJ102715	GSSCNDDEH 	C34H50N12O19S	962.3036	NA	PeJP	NA	NA
+PJ102716	GGGGGPCNDDD 	C34H50N12O19S	962.3037	NA	PeJP	NA	NA
+PJ102717	SSDMMMMM 	C35H62N8O13S5	962.304	NA	PeJP	NA	NA
+PJ102718	SCCCNDRY 	C35H54N12O14S3	962.3045	NA	PeJP	NA	NA
+PJ102719	ACCMMMHH 	C36H58N12O9S5	962.3054	NA	PeJP	NA	NA
+PJ102720	SCCCHHHH 	C36H50N16O10S3	962.3058	NA	PeJP	NA	NA
+PJ102721	GCNNDDYY 	C39H50N10O17S	962.3076	NA	PeJP	NA	NA
+PJ102722	GGGCNDDYY 	C39H50N10O17S	962.3077	NA	PeJP	NA	NA
+PJ102723	SSSSCCCMR 	C32H58N12O14S4	962.3079	NA	PeJP	NA	NA
+PJ102724	GSCCNMYW 	C40H54N10O12S3	962.3085	NA	PeJP	NA	NA
+PJ102725	GSPNDDDDE 	C35H50N10O22	962.3102	NA	PeJP	NA	NA
+PJ102726	GSSSCNDMY 	C36H54N10O17S2	962.311	NA	PeJP	NA	NA
+PJ102727	CDDDFYW 	C44H50N8O15S	962.3117	NA	PeJP	NA	NA
+PJ102728	GCNNMMMY 	C37H58N10O12S4	962.3119	NA	PeJP	NA	NA
+PJ102729	PCCDDHHH 	C37H50N14O13S2	962.3124	NA	PeJP	NA	NA
+PJ102730	GSDDDEYY 	C40H50N8O20	962.3142	NA	PeJP	NA	NA
+PJ102731	GSSSSSSCMM 	C33H58N10O17S3	962.3144	NA	PeJP	NA	NA
+PJ102732	GPCDDMYY 	C41H54N8O15S2	962.315	NA	PeJP	NA	NA
+PJ102733	GCDDEMFF 	C41H54N8O15S2	962.3151	NA	PeJP	NA	NA
+PJ102734	GSTCCCKMM 	C34H62N10O12S5	962.3153	NA	PeJP	NA	NA
+PJ102735	CCNNNQMH 	C34H54N14O13S3	962.3157	NA	PeJP	NA	NA
+PJ102736	GGGGGGCCQMH 	C34H54N14O13S3	962.3158	NA	PeJP	NA	NA
+PJ102737	CDMMMFW 	C42H58N8O10S4	962.3159	NA	PeJP	NA	NA
+PJ102738	CCNDHWW 	C42H50N12O11S2	962.3164	NA	PeJP	NA	NA
+PJ102739	GSDEMMMY 	C38H58N8O15S3	962.3184	NA	PeJP	NA	NA
+PJ102740	SSCNDDHW 	C38H50N12O16S	962.3189	NA	PeJP	NA	NA
+PJ102741	GPCMMMMY 	C39H62N8O10S5	962.3193	NA	PeJP	NA	NA
+PJ102742	SPCCCQHW 	C39H54N12O11S3	962.3198	NA	PeJP	NA	NA
+PJ102743	SSSSNDDDH 	C34H50N12O21	962.3214	NA	PeJP	NA	NA
+PJ102744	SNNDDMMH 	C35H54N12O16S2	962.3223	NA	PeJP	NA	NA
+PJ102745	GTMMMMMM 	C36H66N8O10S6	962.3227	NA	PeJP	NA	NA
+PJ102746	GCCCQMRY 	C36H58N12O11S4	962.3231	NA	PeJP	NA	NA
+PJ102747	GCCCHFFF 	C44H54N10O9S3	962.3238	NA	PeJP	NA	NA
+PJ102748	SPNDDDDW 	C39H50N10O19	962.3254	NA	PeJP	NA	NA
+PJ102749	SSSCCQYW 	C40H54N10O14S2	962.3263	NA	PeJP	NA	NA
+PJ102750	CCCNNNHR 	C33H54N16O12S3	962.327	NA	PeJP	NA	NA
+PJ102751	ACCCCKFW 	C41H58N10O9S4	962.3272	NA	PeJP	NA	NA
+PJ102752	SSSSSCNEY 	C36H54N10O19S	962.3288	NA	PeJP	NA	NA
+PJ102753	SDDDYYW 	C44H50N8O17	962.3294	NA	PeJP	NA	NA
+PJ102754	SSCNQMMY 	C37H58N10O14S3	962.3296	NA	PeJP	NA	NA
+PJ102755	GGGGSTCMMY 	C37H58N10O14S3	962.3297	NA	PeJP	NA	NA
+PJ102756	GDDDMHHH 	C37H50N14O15S	962.3301	NA	PeJP	NA	NA
+PJ102757	PCCEYYW 	C45H54N8O12S2	962.3303	NA	PeJP	NA	NA
+PJ102758	SSSSSSSTCM 	C33H58N10O19S2	962.3321	NA	PeJP	NA	NA
+PJ102759	GSNNNNNDD 	C33H50N14O20	962.3326	NA	PeJP	NA	NA
+PJ102760	GGGGGGGGGSNDD 	C33H50N14O20	962.3327	NA	PeJP	NA	NA
+PJ102761	NDEEMYY 	C41H54N8O17S	962.3328	NA	PeJP	NA	NA
+PJ102762	SSSSCCKMM 	C34H62N10O14S4	962.333	NA	PeJP	NA	NA
+PJ102763	SCCNDEHR 	C34H54N14O15S2	962.3335	NA	PeJP	NA	NA
+PJ102764	SDMMMYW 	C42H58N8O12S3	962.3337	NA	PeJP	NA	NA
+PJ102765	GCCCCRRY 	C35H58N14O10S4	962.3344	NA	PeJP	NA	NA
+PJ102766	CCMHHFW 	C43H54N12O8S3	962.335	NA	PeJP	NA	NA
+PJ102767	SPDEEEEE 	C37H54N8O22	962.3353	NA	PeJP	NA	NA
+PJ102768	SSSEEMMY 	C38H58N8O17S2	962.3362	NA	PeJP	NA	NA
+PJ102769	GNNNDDEW 	C38H50N12O18	962.3366	NA	PeJP	NA	NA
+PJ102770	GGGNNDDEW 	C38H50N12O18	962.3367	NA	PeJP	NA	NA
+PJ102771	QEMMMMY 	C39H62N8O12S4	962.337	NA	PeJP	NA	NA
+PJ102772	GSCNEMHW 	C39H54N12O13S2	962.3375	NA	PeJP	NA	NA
+PJ102773	PCNDDDER 	C35H54N12O18S	962.34	NA	PeJP	NA	NA
+PJ102774	STTMMMMM 	C36H66N8O12S5	962.3404	NA	PeJP	NA	NA
+PJ102775	DDDEHFW 	C43H50N10O16	962.3407	NA	PeJP	NA	NA
+PJ102776	SSCCNMRY 	C36H58N12O13S3	962.3409	NA	PeJP	NA	NA
+PJ102777	SCNNDHHH 	C36H50N16O14S	962.3414	NA	PeJP	NA	NA
+PJ102778	GPPCCDWW 	C44H54N10O11S2	962.3415	NA	PeJP	NA	NA
+PJ102779	GSSSSSCYW 	C40H54N10O16S	962.344	NA	PeJP	NA	NA
+PJ102780	GGGPDDEMW 	C40H54N10O16S	962.3441	NA	PeJP	NA	NA
+PJ102781	GTCCCKYW 	C41H58N10O11S3	962.3449	NA	PeJP	NA	NA
+PJ102782	CDEHHHW 	C41H50N14O12S	962.3454	NA	PeJP	NA	NA
+PJ102783	GSSSSSSSDY 	C36H54N10O21	962.3465	NA	PeJP	NA	NA
+PJ102784	GGGGAEEEEE 	C36H54N10O21	962.3466	NA	PeJP	NA	NA
+PJ102785	GSSSSNMMY 	C37H58N10O16S2	962.3474	NA	PeJP	NA	NA
+PJ102786	SSDDEHHH 	C37H50N14O17	962.3479	NA	PeJP	NA	NA
+PJ102787	VCDDYYW 	C45H54N8O14S	962.348	NA	PeJP	NA	NA
+PJ102788	GDEMYYW 	C45H54N8O14S	962.3481	NA	PeJP	NA	NA
+PJ102789	CEMMMRY 	C38H62N10O11S4	962.3483	NA	PeJP	NA	NA
+PJ102790	GSCCDHRW 	C38H54N14O12S2	962.3488	NA	PeJP	NA	NA
+PJ102791	PPCCCFFF 	C46H58N8O9S3	962.3489	NA	PeJP	NA	NA
+PJ102792	GSSEEEYY 	C41H54N8O19	962.3506	NA	PeJP	NA	NA
+PJ102793	SSSSCNNQH 	C34H54N14O17S	962.3512	NA	PeJP	NA	NA
+PJ102794	GSSSCDDHR 	C34H54N14O17S	962.3513	NA	PeJP	NA	NA
+PJ102795	GSPDMMYY 	C42H58N8O14S2	962.3514	NA	PeJP	NA	NA
+PJ102796	NNNDDWW 	C42H50N12O15	962.3519	NA	PeJP	NA	NA
+PJ102797	GCNDMMHR 	C35H58N14O12S3	962.3521	NA	PeJP	NA	NA
+PJ102798	AMMMMYW 	C43H62N8O9S4	962.3523	NA	PeJP	NA	NA
+PJ102799	SCNMHWW 	C43H54N12O10S2	962.3528	NA	PeJP	NA	NA
+PJ102800	APEEEEEM 	C38H58N8O19S	962.3539	NA	PeJP	NA	NA
+PJ102801	GTTEMMMY 	C39H62N8O14S3	962.3548	NA	PeJP	NA	NA
+PJ102802	GPCDDDRW 	C39H54N12O15S	962.3553	NA	PeJP	NA	NA
+PJ102803	AAMMMMMF 	C40H66N8O9S5	962.3557	NA	PeJP	NA	NA
+PJ102804	NNMMMHW 	C40H58N12O10S3	962.3561	NA	PeJP	NA	NA
+PJ102805	GGGGMMMHW 	C40H58N12O10S3	962.3562	NA	PeJP	NA	NA
+PJ102806	GNDDEEER 	C35H54N12O20	962.3578	NA	PeJP	NA	NA
+PJ102807	GSSSTCCRY 	C36H58N12O15S2	962.3586	NA	PeJP	NA	NA
+PJ102808	GSPPCCDER 	C36H58N12O15S2	962.3587	NA	PeJP	NA	NA
+PJ102809	PNDDMWW 	C44H54N10O13S	962.3593	NA	PeJP	NA	NA
+PJ102810	GCCCKMRY 	C37H62N12O10S4	962.3595	NA	PeJP	NA	NA
+PJ102811	GCNQMHHH 	C37H54N16O11S2	962.36	NA	PeJP	NA	NA
+PJ102812	NQEEEEW 	C40H54N10O18	962.3618	NA	PeJP	NA	NA
+PJ102813	CNNNNNDR 	C33H54N16O16S	962.3625	NA	PeJP	NA	NA
+PJ102814	NNQMMYY 	C41H58N10O13S2	962.3626	NA	PeJP	NA	NA
+PJ102815	SSSCCKYW 	C41H58N10O13S2	962.3627	NA	PeJP	NA	NA
+PJ102816	DMYYWW 	C49H54N8O11S	962.3633	NA	PeJP	NA	NA
+PJ102817	GCCCEHRR 	C34H58N16O11S3	962.3634	NA	PeJP	NA	NA
+PJ102818	PMMMMHW 	C42H62N10O8S4	962.3635	NA	PeJP	NA	NA
+PJ102819	SSSSSSQMY 	C37H58N10O18S	962.3651	NA	PeJP	NA	NA
+PJ102820	GGSSSSSTMY 	C37H58N10O18S	962.3652	NA	PeJP	NA	NA
+PJ102821	SSEEYYW 	C45H54N8O16	962.3658	NA	PeJP	NA	NA
+PJ102822	SSCNKMMY 	C38H62N10O13S3	962.366	NA	PeJP	NA	NA
+PJ102823	GGGGPPEMMM 	C38H62N10O13S3	962.3661	NA	PeJP	NA	NA
+PJ102824	GNNNNNMW 	C38H54N14O14S	962.3665	NA	PeJP	NA	NA
+PJ102825	PTCMYYW 	C46H58N8O11S2	962.3667	NA	PeJP	NA	NA
+PJ102826	CCQMHRW 	C39H58N14O9S3	962.3674	NA	PeJP	NA	NA
+PJ102827	GDDDDDRR 	C34H54N14O19	962.369	NA	PeJP	NA	NA
+PJ102828	TQEEMYY 	C42H58N8O16S	962.3692	NA	PeJP	NA	NA
+PJ102829	EYYYYY 	C50H54N6O14	962.3698	NA	PeJP	NA	NA
+PJ102830	SSCNEMHR 	C35H58N14O14S2	962.3699	NA	PeJP	NA	NA
+PJ102831	TTMMMYW 	C43H62N8O11S3	962.37	NA	PeJP	NA	NA
+PJ102832	GAPMMMYY 	C43H62N8O11S3	962.3701	NA	PeJP	NA	NA
+PJ102833	GSSTCHWW 	C43H54N12O12S	962.3705	NA	PeJP	NA	NA
+PJ102834	GCCNHHHR 	C36H54N18O10S2	962.3712	NA	PeJP	NA	NA
+PJ102835	GLEEEEEE 	C38H58N8O21	962.3717	NA	PeJP	NA	NA
+PJ102836	STTTEMMY 	C39H62N8O16S2	962.3725	NA	PeJP	NA	NA
+PJ102837	PPTEEEMM 	C39H62N8O16S2	962.3726	NA	PeJP	NA	NA
+PJ102838	NDDEERW 	C39H54N12O17	962.373	NA	PeJP	NA	NA
+PJ102839	GGGGGGGTEEW 	C39H54N12O17	962.3731	NA	PeJP	NA	NA
+PJ102840	KEMMMMY 	C40H66N8O11S4	962.3734	NA	PeJP	NA	NA
+PJ102841	SPPCCDRW 	C40H58N12O12S2	962.3739	NA	PeJP	NA	NA
+PJ102842	APCDWWW 	C48H54N10O10S	962.3745	NA	PeJP	NA	NA
+PJ102843	GPCEWWW 	C48H54N10O10S	962.3746	NA	PeJP	NA	NA
+PJ102844	SSSSSSCRY 	C36H58N12O17S	962.3764	NA	PeJP	NA	NA
+PJ102845	VNDDEWW 	C44H54N10O15	962.377	NA	PeJP	NA	NA
+PJ102846	GQEEEWW 	C44H54N10O15	962.3771	NA	PeJP	NA	NA
+PJ102847	STCCCKRY 	C37H62N12O12S3	962.3773	NA	PeJP	NA	NA
+PJ102848	SSNNMHHH 	C37H54N16O13S	962.3777	NA	PeJP	NA	NA
+PJ102849	GGGGSSMHHH 	C37H54N16O13S	962.3778	NA	PeJP	NA	NA
+PJ102850	GSPPCMWW 	C45H58N10O10S2	962.3779	NA	PeJP	NA	NA
+PJ102851	CCCHRRW 	C38H58N16O8S3	962.3786	NA	PeJP	NA	NA
+PJ102852	GSPQEEMW 	C41H58N10O15S	962.3804	NA	PeJP	NA	NA
+PJ102853	GPDYYYW 	C49H54N8O13	962.3811	NA	PeJP	NA	NA
+PJ102854	VEMMMHW 	C42H62N10O10S3	962.3813	NA	PeJP	NA	NA
+PJ102855	SEMHHHW 	C42H54N14O11S	962.3818	NA	PeJP	NA	NA
+PJ102856	MMFYWW 	C50H58N8O8S2	962.3819	NA	PeJP	NA	NA
+PJ102857	GSSSSSSTTY 	C37H58N10O20	962.3829	NA	PeJP	NA	NA
+PJ102858	GSSSTCKMY 	C38H62N10O15S2	962.3838	NA	PeJP	NA	NA
+PJ102859	SSNNNNQW 	C38H54N14O16	962.3842	NA	PeJP	NA	NA
+PJ102860	GSNNDDRW 	C38H54N14O16	962.3843	NA	PeJP	NA	NA
+PJ102861	ATEMYYW 	C46H58N8O13S	962.3844	NA	PeJP	NA	NA
+PJ102862	GGEEMFFF 	C46H58N8O13S	962.3845	NA	PeJP	NA	NA
+PJ102863	TMMMMRY 	C39H66N10O10S4	962.3847	NA	PeJP	NA	NA
+PJ102864	GSSCMHRW 	C39H58N14O11S2	962.3851	NA	PeJP	NA	NA
+PJ102865	GGGGAPCCRW 	C39H58N14O11S2	962.3852	NA	PeJP	NA	NA
+PJ102866	AMMMFFW 	C47H62N8O8S3	962.3853	NA	PeJP	NA	NA
+PJ102867	GSDHHHHH 	C39H50N18O12	962.3856	NA	PeJP	NA	NA
+PJ102868	GCQHFWW 	C47H54N12O9S	962.3858	NA	PeJP	NA	NA
+PJ102869	LEEEEEW 	C42H58N8O18	962.3869	NA	PeJP	NA	NA
+PJ102870	APPEEEEY 	C42H58N8O18	962.387	NA	PeJP	NA	NA
+PJ102871	SPCDDDRR 	C35H58N14O16S	962.3876	NA	PeJP	NA	NA
+PJ102872	GGGGGNEEMR 	C35H58N14O16S	962.3877	NA	PeJP	NA	NA
+PJ102873	VQEMMYY 	C43H62N8O13S2	962.3878	NA	PeJP	NA	NA
+PJ102874	GDDERWW 	C43H54N12O14	962.3883	NA	PeJP	NA	NA
+PJ102875	PPCCCERR 	C36H62N14O11S3	962.3885	NA	PeJP	NA	NA
+PJ102876	TCCKHWW 	C44H58N12O9S2	962.3892	NA	PeJP	NA	NA
+PJ102877	PCWWWW 	C52H54N10O7S	962.3898	NA	PeJP	NA	NA
+PJ102878	SPLEEEEM 	C39H62N8O18S	962.3903	NA	PeJP	NA	NA
+PJ102879	SSTLMMMY 	C40H66N8O13S3	962.3912	NA	PeJP	NA	NA
+PJ102880	SSSTQMHW 	C40H58N12O14S	962.3916	NA	PeJP	NA	NA
+PJ102881	GSPDDMRW 	C40H58N12O14S	962.3917	NA	PeJP	NA	NA
+PJ102882	QEEWWW 	C48H54N10O12	962.3923	NA	PeJP	NA	NA
+PJ102883	APPCCMRW 	C41H62N12O9S3	962.3925	NA	PeJP	NA	NA
+PJ102884	SSSSSDKEH 	C36H58N12O19	962.3941	NA	PeJP	NA	NA
+PJ102885	GSQEEEER 	C36H58N12O19	962.3942	NA	PeJP	NA	NA
+PJ102886	GPNEEMMR 	C37H62N12O14S2	962.395	NA	PeJP	NA	NA
+PJ102887	GGGGGGPDKMM 	C37H62N12O14S2	962.3951	NA	PeJP	NA	NA
+PJ102888	GSSSSQHHH 	C37H54N16O15	962.3955	NA	PeJP	NA	NA
+PJ102889	SPQEMWW 	C45H58N10O12S	962.3957	NA	PeJP	NA	NA
+PJ102890	DFFYWW 	C53H54N8O10	962.3963	NA	PeJP	NA	NA
+PJ102891	DMMHHHR 	C38H58N16O10S2	962.3964	NA	PeJP	NA	NA
+PJ102892	PCHHHFW 	C46H54N14O8S	962.397	NA	PeJP	NA	NA
+PJ102893	NKEEEEW 	C41H58N10O17	962.3982	NA	PeJP	NA	NA
+PJ102894	GCNNDERR 	C34H58N16O15S	962.3989	NA	PeJP	NA	NA
+PJ102895	SSPPQMMW 	C42H62N10O12S2	962.399	NA	PeJP	NA	NA
+PJ102896	AAPQEMMW 	C42H62N10O12S2	962.3991	NA	PeJP	NA	NA
+PJ102897	GSPNEHHW 	C42H54N14O13	962.3995	NA	PeJP	NA	NA
+PJ102898	GGGGGGGGGHFF 	C42H54N14O13	962.3996	NA	PeJP	NA	NA
+PJ102899	GPMFYYW 	C50H58N8O10S	962.3997	NA	PeJP	NA	NA
+PJ102900	CLMHHHW 	C43H58N14O8S2	962.4004	NA	PeJP	NA	NA
+PJ102901	SSSSSSKMY 	C38H62N10O17S	962.4015	NA	PeJP	NA	NA
+PJ102902	SPNKEEEM 	C38H62N10O17S	962.4016	NA	PeJP	NA	NA
+PJ102903	TTTEYYW 	C46H58N8O15	962.4022	NA	PeJP	NA	NA
+PJ102904	STCCKKMY 	C39H66N10O12S3	962.4024	NA	PeJP	NA	NA
+PJ102905	SSSTCHRW 	C39H58N14O13S	962.4029	NA	PeJP	NA	NA
+PJ102906	GLMMYYW 	C47H62N8O10S2	962.4031	NA	PeJP	NA	NA
+PJ102907	DDRWWW 	C47H54N12O11	962.4035	NA	PeJP	NA	NA
+PJ102908	GGGGGTWWW 	C47H54N12O11	962.4036	NA	PeJP	NA	NA
+PJ102909	CCKMHRW 	C40H62N14O8S3	962.4038	NA	PeJP	NA	NA
+PJ102910	QMHHHHH 	C40H54N18O9S	962.4042	NA	PeJP	NA	NA
+PJ102911	GSDDEERR 	C35H58N14O18	962.4054	NA	PeJP	NA	NA
+PJ102912	TKEEMYY 	C43H62N8O15S	962.4056	NA	PeJP	NA	NA
+PJ102913	SSSQMMHR 	C36H62N14O13S2	962.4062	NA	PeJP	NA	NA
+PJ102914	GPCDEMRR 	C36H62N14O13S2	962.4063	NA	PeJP	NA	NA
+PJ102915	PKMMMYY 	C44H66N8O10S3	962.4064	NA	PeJP	NA	NA
+PJ102916	GNNNDHHR 	C36H54N18O14	962.4067	NA	PeJP	NA	NA
+PJ102917	GGGGGNDHHR 	C36H54N18O14	962.4068	NA	PeJP	NA	NA
+PJ102918	SPCERWW 	C44H58N12O11S	962.4069	NA	PeJP	NA	NA
+PJ102919	AEWWWW 	C52H54N10O9	962.4076	NA	PeJP	NA	NA
+PJ102920	SVLEEEEE 	C39H62N8O20	962.4081	NA	PeJP	NA	NA
+PJ102921	PVVEEEMM 	C40H66N8O15S2	962.409	NA	PeJP	NA	NA
+PJ102922	SQEEERW 	C40H58N12O16	962.4094	NA	PeJP	NA	NA
+PJ102923	PNEMMRW 	C41H62N12O11S2	962.4103	NA	PeJP	NA	NA
+PJ102924	NNQQHHW 	C41H54N16O12	962.4107	NA	PeJP	NA	NA
+PJ102925	GGNQQHHW 	C41H54N16O12	962.4108	NA	PeJP	NA	NA
+PJ102926	GPTMWWW 	C49H58N10O9S	962.4109	NA	PeJP	NA	NA
+PJ102927	AAQEEEMR 	C37H62N12O16S	962.4128	NA	PeJP	NA	NA
+PJ102928	GKEEEWW 	C45H58N10O14	962.4134	NA	PeJP	NA	NA
+PJ102929	SPPNMMMR 	C38H66N12O11S3	962.4137	NA	PeJP	NA	NA
+PJ102930	CNNDRRW 	C38H58N16O12S	962.4141	NA	PeJP	NA	NA
+PJ102931	GGGGGGPCKHH 	C38H58N16O12S	962.4142	NA	PeJP	NA	NA
+PJ102932	PVNMMWW 	C46H62N10O9S2	962.4143	NA	PeJP	NA	NA
+PJ102933	SPNHHWW 	C46H54N14O10	962.4148	NA	PeJP	NA	NA
+PJ102934	MFFFWW 	C54H58N8O7S	962.415	NA	PeJP	NA	NA
+PJ102935	CHHHHHR 	C39H54N20O8S	962.4155	NA	PeJP	NA	NA
+PJ102936	SSNNDDRR 	C34H58N16O17	962.4166	NA	PeJP	NA	NA
+PJ102937	GGGGGGGGGSSTR 	C34H58N16O17	962.4167	NA	PeJP	NA	NA
+PJ102938	GSPKEEMW 	C42H62N10O14S	962.4168	NA	PeJP	NA	NA
+PJ102939	APTYYYW 	C50H58N8O12	962.4174	NA	PeJP	NA	NA
+PJ102940	GVEFYYW 	C50H58N8O12	962.4175	NA	PeJP	NA	NA
+PJ102941	APPCKMMW 	C43H66N10O9S3	962.4177	NA	PeJP	NA	NA
+PJ102942	GNNMRWW 	C43H58N14O10S	962.4181	NA	PeJP	NA	NA
+MJ098791	Spirosta-5,25(27)-diene-1,3-diol, 1-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-sulfo-?-D-fucopyranoside], 3-O-?-D-glucopyranoside 	C45H70O20S	962.418115	NA	MeJP	NA	NA
+PJ102943	GGGNMRWW 	C43H58N14O10S	962.4182	NA	PeJP	NA	NA
+PJ102944	GDKKEEEE 	C38H62N10O19	962.4193	NA	PeJP	NA	NA
+PJ102945	TTTLEMMH 	C39H66N10O14S2	962.4202	NA	PeJP	NA	NA
+PJ102946	GSSNQERW 	C39H58N14O15	962.4206	NA	PeJP	NA	NA
+PJ102947	SDDERRW 	C39H58N14O15	962.4207	NA	PeJP	NA	NA
+PJ102948	STLMYYW 	C47H62N8O12S	962.4208	NA	PeJP	NA	NA
+PJ102949	GLLMMMMH 	C40H70N10O9S4	962.4211	NA	PeJP	NA	NA
+PJ102950	PCDMRRW 	C40H62N14O10S2	962.4215	NA	PeJP	NA	NA
+PJ102951	GTTHHHHH 	C40H54N18O11	962.422	NA	PeJP	NA	NA
+PJ102952	GCKHFWW 	C48H58N12O8S	962.4222	NA	PeJP	NA	NA
+PJ102953	SSTTLEYY 	C43H62N8O17	962.4233	NA	PeJP	NA	NA
+PJ102954	NEEEMRR 	C36H62N14O15S	962.424	NA	PeJP	NA	NA
+MJ098792	Trichostatin A; Fe complex 	C51H66FeN6O9	962.424069	NA	MeJP	NA	NA
+PJ102955	GGGGGGGGGATKM 	C36H62N14O15S	962.4241	NA	PeJP	NA	NA
+PJ102956	VKEMMYY 	C44H66N8O12S2	962.4242	NA	PeJP	NA	NA
+PJ102957	GTEERWW 	C44H58N12O13	962.4247	NA	PeJP	NA	NA
+PJ102958	PPTCCMRR 	C37H66N14O10S3	962.4249	NA	PeJP	NA	NA
+PJ102959	GPMMRWW 	C45H62N12O8S2	962.4255	NA	PeJP	NA	NA
+PJ102960	ALLEEEEM 	C40H66N8O17S	962.4267	NA	PeJP	NA	NA
+PJ102961	VNEEMRW 	C41H62N12O13S	962.428	NA	PeJP	NA	NA
+PJ102962	GGVEEMRW 	C41H62N12O13S	962.4281	NA	PeJP	NA	NA
+PJ102963	KEEWWW 	C49H58N10O11	962.4287	NA	PeJP	NA	NA
+PJ102964	CKKMMHW 	C42H66N12O8S3	962.4289	NA	PeJP	NA	NA
+PJ102965	PCQHHRW 	C42H58N16O9S	962.4294	NA	PeJP	NA	NA
+PJ102966	ATTQEEER 	C37H62N12O18	962.4305	NA	PeJP	NA	NA
+PJ102967	GSKEEEER 	C37H62N12O18	962.4306	NA	PeJP	NA	NA
+PJ102968	GPDKEMMR 	C38H66N12O13S2	962.4314	NA	PeJP	NA	NA
+PJ102969	GNNNNQFR 	C38H58N16O14	962.4319	NA	PeJP	NA	NA
+PJ102970	APMRYYY 	C46H62N10O11S	962.432	NA	PeJP	NA	NA
+PJ102971	SPKEMWW 	C46H62N10O11S	962.4321	NA	PeJP	NA	NA
+PJ102972	VFYYWW 	C54H58N8O9	962.4327	NA	PeJP	NA	NA
+PJ102973	CNMHFRR 	C39H62N16O9S2	962.4328	NA	PeJP	NA	NA
+PJ102974	SSSPPTTTW 	C42H62N10O16	962.4345	NA	PeJP	NA	NA
+PJ102975	DKKEEEW 	C42H62N10O16	962.4346	NA	PeJP	NA	NA
+PJ102976	ASCNQERR 	C35H62N16O14S	962.4352	NA	PeJP	NA	NA
+PJ102977	DDDMRRR 	C35H62N16O14S	962.4353	NA	PeJP	NA	NA
+PJ102978	AAPKEMMW 	C43H66N10O11S2	962.4354	NA	PeJP	NA	NA
+PJ102979	GGGGPPLMMF 	C43H66N10O11S2	962.4355	NA	PeJP	NA	NA
+PJ102980	SSNQRWW 	C43H58N14O12	962.4359	NA	PeJP	NA	NA
+PJ102981	GLMFFYW 	C51H62N8O9S	962.4361	NA	PeJP	NA	NA
+PJ102982	GLQKEEEM 	C39H66N10O16S	962.4379	NA	PeJP	NA	NA
+PJ102983	AAAAASLEEM 	C39H66N10O16S	962.438	NA	PeJP	NA	NA
+PJ102984	PTKEYYY 	C47H62N8O14	962.4386	NA	PeJP	NA	NA
+PJ102985	STLLMMMH 	C40H70N10O11S3	962.4388	NA	PeJP	NA	NA
+PJ102986	GEEMRRW 	C40H62N14O12S	962.4393	NA	PeJP	NA	NA
+PJ102987	PKMMFFY 	C48H66N8O9S2	962.4395	NA	PeJP	NA	NA
+PJ102988	TERWWW 	C48H58N12O10	962.4399	NA	PeJP	NA	NA
+PJ102989	KMHHHHH 	C41H58N18O8S	962.4406	NA	PeJP	NA	NA
+PJ102990	GSTEEERR 	C36H62N14O17	962.4418	NA	PeJP	NA	NA
+PJ102991	SSSLLMYY 	C44H66N8O14S	962.4419	NA	PeJP	NA	NA
+PJ102992	PPVVEEMY 	C44H66N8O14S	962.442	NA	PeJP	NA	NA
+PJ102993	ASPDMMRR 	C37H66N14O12S2	962.4426	NA	PeJP	NA	NA
+PJ102994	GSPEMMRR 	C37H66N14O12S2	962.4427	NA	PeJP	NA	NA
+PJ102995	LKMMMFY 	C45H70N8O9S3	962.4428	NA	PeJP	NA	NA
+PJ102996	NDEHHRR 	C37H58N18O13	962.4431	NA	PeJP	NA	NA
+PJ102997	GVEMRWW 	C45H62N12O10S	962.4433	NA	PeJP	NA	NA
+PJ102998	SLWWWW 	C53H58N10O8	962.4439	NA	PeJP	NA	NA
+PJ102999	TTLLEEEE 	C40H66N8O19	962.4445	NA	PeJP	NA	NA
+PJ103000	PTLLEEMM 	C41H70N8O14S2	962.4453	NA	PeJP	NA	NA
+PJ103001	SKEEERW 	C41H62N12O15	962.4458	NA	PeJP	NA	NA
+PJ103002	PPLLMMMM 	C42H74N8O9S4	962.4462	NA	PeJP	NA	NA
+PJ103003	GSCNDRRR 	C34H62N18O13S	962.4465	NA	PeJP	NA	NA
+PJ103004	PDKMMRW 	C42H66N12O10S2	962.4467	NA	PeJP	NA	NA
+PJ103005	AQEHHRW 	C42H58N16O11	962.4471	NA	PeJP	NA	NA
+PJ103006	GAAEHHRW 	C42H58N16O11	962.4472	NA	PeJP	NA	NA
+PJ103007	AALMWWW 	C50H62N10O8S	962.4473	NA	PeJP	NA	NA
+PJ103008	AAKEEEMR 	C38H66N12O15S	962.4492	NA	PeJP	NA	NA
+PJ103009	SVKEEWW 	C46H62N10O13	962.4498	NA	PeJP	NA	NA
+PJ103010	GPLQMMMR 	C39H70N12O10S3	962.45	NA	PeJP	NA	NA
+PJ103011	GGAPLMMMR 	C39H70N12O10S3	962.4501	NA	PeJP	NA	NA
+PJ103012	SNNMRRW 	C39H62N16O11S	962.4505	NA	PeJP	NA	NA
+PJ103013	PCLKMWW 	C47H66N10O8S2	962.4507	NA	PeJP	NA	NA
+PJ103014	GLQHHWW 	C47H58N14O9	962.4512	NA	PeJP	NA	NA
+PJ103015	SSSNQERR 	C35H62N16O16	962.453	NA	PeJP	NA	NA
+PJ103016	LQKEEMW 	C43H66N10O13S	962.4532	NA	PeJP	NA	NA
+PJ103017	GVLYYYW 	C51H62N8O11	962.4538	NA	PeJP	NA	NA
+PJ103018	NQQMMRR 	C36H66N16O11S2	962.4539	NA	PeJP	NA	NA
+PJ103019	EMRRWW 	C44H62N14O9S	962.4545	NA	PeJP	NA	NA
+PJ103020	ATKKEEEE 	C39H66N10O18	962.4557	NA	PeJP	NA	NA
+PJ103021	APKKEEMM 	C40H70N10O13S2	962.4566	NA	PeJP	NA	NA
+PJ103022	STEERRW 	C40H62N14O14	962.457	NA	PeJP	NA	NA
+PJ103023	GGGGGAAPTRY 	C40H62N14O14	962.4571	NA	PeJP	NA	NA
+PJ103024	PVKMYYY 	C48H66N8O11S	962.4572	NA	PeJP	NA	NA
+PJ103025	SPMMRRW 	C41H66N14O9S2	962.4579	NA	PeJP	NA	NA
+PJ103026	GDHHRRW 	C41H58N18O10	962.4584	NA	PeJP	NA	NA
+PJ103027	VMRWWW 	C49H62N12O7S	962.4586	NA	PeJP	NA	NA
+PJ103028	TTTTTLYY 	C44H66N8O16	962.4597	NA	PeJP	NA	NA
+PJ103029	DKEEMRR 	C37H66N14O14S	962.4604	NA	PeJP	NA	NA
+PJ103030	PPVLEMMF 	C45H70N8O11S2	962.4606	NA	PeJP	NA	NA
+PJ103031	SSLERWW 	C45H62N12O12	962.461	NA	PeJP	NA	NA
+PJ103032	GGSDKKWW 	C45H62N12O12	962.4611	NA	PeJP	NA	NA
+PJ103033	AAPMMMRR 	C38H70N14O9S3	962.4613	NA	PeJP	NA	NA
+PJ103034	GPTCHHRR 	C38H62N18O10S	962.4618	NA	PeJP	NA	NA
+PJ103035	AAHHRWW 	C46H58N16O8	962.4624	NA	PeJP	NA	NA
+PJ103036	SLLLEEEM 	C41H70N8O16S	962.4631	NA	PeJP	NA	NA
+PJ103037	PVLLEMMM 	C42H74N8O11S3	962.464	NA	PeJP	NA	NA
+PJ103038	VDKEMRW 	C42H66N12O12S	962.4644	NA	PeJP	NA	NA
+PJ103039	GGGGGGPVKMF 	C42H66N12O12S	962.4645	NA	PeJP	NA	NA
+PJ103040	ATTLWWW 	C50H62N10O10	962.4651	NA	PeJP	NA	NA
+PJ103041	PCKHHRW 	C43H62N16O8S	962.4658	NA	PeJP	NA	NA
+PJ103042	ATTKEEER 	C38H66N12O17	962.4669	NA	PeJP	NA	NA
+PJ103043	APTKEMMR 	C39H70N12O12S2	962.4678	NA	PeJP	NA	NA
+PJ103044	GSSSQRRW 	C39H62N16O13	962.4683	NA	PeJP	NA	NA
+PJ103045	ALKEMWW 	C47H66N10O10S	962.4684	NA	PeJP	NA	NA
+PJ103046	GGTLLMWW 	C47H66N10O10S	962.4685	NA	PeJP	NA	NA
+PJ103047	GLFFFFW 	C55H62N8O8	962.4691	NA	PeJP	NA	NA
+PJ103048	SSVVKEEW 	C43H66N10O15	962.4709	NA	PeJP	NA	NA
+PJ103049	GTTLKEEW 	C43H66N10O15	962.471	NA	PeJP	NA	NA
+PJ103050	SEEMRRR 	C36H66N16O13S	962.4716	NA	PeJP	NA	NA
+PJ103051	GGGSDKMRR 	C36H66N16O13S	962.4717	NA	PeJP	NA	NA
+PJ103052	GPTLKMMW 	C44H70N10O10S2	962.4718	NA	PeJP	NA	NA
+PJ103053	SSNKRWW 	C44H62N14O11	962.4723	NA	PeJP	NA	NA
+PJ103054	PKMFFFF 	C52H66N8O8S	962.4725	NA	PeJP	NA	NA
+PJ103055	GLKKEEEM 	C40H70N10O15S	962.4743	NA	PeJP	NA	NA
+2947	NA	FGGFTGARKSARKWDNQ	962.47435	MH2+	Inhouse_peptide	NA	peptide
+PJ103056	VVKEYYY 	C48H66N8O13	962.475	NA	PeJP	NA	NA
+PJ103057	PPTKKMMM 	C41H74N10O10S3	962.4752	NA	PeJP	NA	NA
+PJ103058	SQQKMRW 	C41H66N14O11S	962.4756	NA	PeJP	NA	NA
+PJ103059	SVEMRRW 	C41H66N14O11S	962.4757	NA	PeJP	NA	NA
+PJ103060	LKMMFFF 	C49H70N8O8S2	962.4758	NA	PeJP	NA	NA
+PJ103061	GPVRYWW 	C49H62N12O9	962.4763	NA	PeJP	NA	NA
+PJ103062	CCNRRRR 	C34H66N20O9S2	962.4764	NA	PeJP	NA	NA
+PJ103063	SSSSPTNKR 	C37H66N14O16	962.4781	NA	PeJP	NA	NA
+PJ103064	SSSLEERR 	C37H66N14O16	962.4782	NA	PeJP	NA	NA
+PJ103065	PPTLLEMY 	C45H70N8O13S	962.4783	NA	PeJP	NA	NA
+PJ103066	PVVLEEMF 	C45H70N8O13S	962.4784	NA	PeJP	NA	NA
+PJ103067	LQEMMRR 	C38H70N14O11S2	962.479	NA	PeJP	NA	NA
+PJ103068	GGGGGLKMMR 	C38H70N14O11S2	962.4791	NA	PeJP	NA	NA
+PJ103069	TQEHHRR 	C38H62N18O12	962.4795	NA	PeJP	NA	NA
+MJ098793	WWamide 1; 3-L-Glutaminyl analogue 	C46H66N12O9S	962.479642	NA	MeJP	NA	NA
+PJ103070	ATLMRWW 	C46H66N12O9S	962.4797	NA	PeJP	NA	NA
+PJ103071	VVLLEEMM 	C42H74N8O13S2	962.4817	NA	PeJP	NA	NA
+PJ103072	GTTTLERW 	C42H66N12O14	962.4822	NA	PeJP	NA	NA
+PJ103073	GSSNMRRR 	C35H66N18O12S	962.4829	NA	PeJP	NA	NA
+PJ103074	VLQMMRW 	C43H70N12O9S2	962.483	NA	PeJP	NA	NA
+PJ103075	LLNMMRW 	C43H70N12O9S2	962.4831	NA	PeJP	NA	NA
+PJ103076	GNQFRRW 	C43H62N16O10	962.4835	NA	PeJP	NA	NA
+PJ103077	SSLLQEMR 	C39H70N12O14S	962.4855	NA	PeJP	NA	NA
+PJ103078	GTLKEEMR 	C39H70N12O14S	962.4856	NA	PeJP	NA	NA
+PJ103079	TTLKEWW 	C47H66N10O12	962.4862	NA	PeJP	NA	NA
+PJ103080	GPLKMMMR 	C40H74N12O9S3	962.4864	NA	PeJP	NA	NA
+PJ103081	SCQKRRW 	C40H66N16O10S	962.4869	NA	PeJP	NA	NA
+PJ103082	PRRYWW 	C48H62N14O8	962.4875	NA	PeJP	NA	NA
+PJ103083	GLKHHWW 	C48H62N14O8	962.4876	NA	PeJP	NA	NA
+PJ103084	SSSNKERR 	C36H66N16O15	962.4894	NA	PeJP	NA	NA
+PJ103085	LKKEEMW 	C44H70N10O12S	962.4896	NA	PeJP	NA	NA
+PJ103086	PVKFFYY 	C52H66N8O10	962.4902	NA	PeJP	NA	NA
+PJ103087	VDMMRRR 	C37H70N16O10S2	962.4903	NA	PeJP	NA	NA
+PJ103088	SDHHRRR 	C37H62N20O11	962.4907	NA	PeJP	NA	NA
+PJ103089	GCKKRWW 	C45H66N14O8S	962.4909	NA	PeJP	NA	NA
+PJ103090	STLKKEEE 	C40H70N10O17	962.4921	NA	PeJP	NA	NA
+PJ103091	ASPVVTKMM 	C41H74N10O12S2	962.4929	NA	PeJP	NA	NA
+PJ103092	SPLKKEMM 	C41H74N10O12S2	962.493	NA	PeJP	NA	NA
+PJ103093	GSSDKKRW 	C41H66N14O13	962.4934	NA	PeJP	NA	NA
+PJ103094	GGGGGGGAAKKF 	C41H66N14O13	962.4935	NA	PeJP	NA	NA
+PJ103095	VLKMFYY 	C49H70N8O10S	962.4936	NA	PeJP	NA	NA
+PJ103096	ALMMRRW 	C42H70N14O8S2	962.4943	NA	PeJP	NA	NA
+PJ103097	ATHHRRW 	C42H62N18O9	962.4948	NA	PeJP	NA	NA
+PJ103098	SPLLLEEY 	C45H70N8O15	962.4961	NA	PeJP	NA	NA
+PJ103099	GTTLEMRR 	C38H70N14O13S	962.4968	NA	PeJP	NA	NA
+PJ103100	PPVLLMMY 	C46H74N8O10S2	962.497	NA	PeJP	NA	NA
+PJ103101	TTTLRWW 	C46H66N12O11	962.4974	NA	PeJP	NA	NA
+PJ103102	GGGAPKKYW 	C46H66N12O11	962.4975	NA	PeJP	NA	NA
+PJ103103	VQMHHRR 	C39H66N18O9S	962.4981	NA	PeJP	NA	NA
+PJ103104	SSSSQRRR 	C35H66N18O14	962.5006	NA	PeJP	NA	NA
+PJ103105	TLKEMRW 	C43H70N12O11S	962.5008	NA	PeJP	NA	NA
+PJ103106	APLKYWW 	C51H66N10O9	962.5015	NA	PeJP	NA	NA
+PJ103107	STTLKEER 	C39H70N12O16	962.5033	NA	PeJP	NA	NA
+PJ103108	GVLKEMMR 	C40H74N12O11S2	962.5042	NA	PeJP	NA	NA
+PJ103109	VNQQRRY 	C40H66N16O12	962.5046	NA	PeJP	NA	NA
+PJ103110	GSSSKRRW 	C40H66N16O12	962.5047	NA	PeJP	NA	NA
+PJ103111	SLLKMWW 	C48H70N10O9S	962.5048	NA	PeJP	NA	NA
+PJ103112	SSTLLKEW 	C44H70N10O14	962.5073	NA	PeJP	NA	NA
+PJ103113	GGGAALLLEY 	C44H70N10O14	962.5074	NA	PeJP	NA	NA
+PJ103114	GSTQKMRR 	C37H70N16O12S	962.508	NA	PeJP	NA	NA
+PJ103115	AALLKMMW 	C45H74N10O9S2	962.5082	NA	PeJP	NA	NA
+MJ098794	12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-(1?6)-[?-D-glucopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H78O20	962.508644	NA	MeJP	NA	NA
+MJ098795	Furostane-3,14,17,22,26-pentol, 22-Me ether, 26-Ac, 3-O-[?-L-arabinopyranosyl-(1?3)[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C47H78O20	962.508644	NA	MeJP	NA	NA
+PJ103116	SPVRRYW 	C45H66N14O10	962.5087	NA	PeJP	NA	NA
+PJ103117	AMHHRRR 	C38H66N20O8S	962.5094	NA	PeJP	NA	NA
+PJ103118	SVLKKEEM 	C41H74N10O14S	962.5107	NA	PeJP	NA	NA
+PJ103119	TLLKYYY 	C49H70N8O12	962.5113	NA	PeJP	NA	NA
+PJ103120	PPPTLLYY 	C49H70N8O12	962.5114	NA	PeJP	NA	NA
+PJ103121	PVVKKMMM 	C42H78N10O9S3	962.5116	NA	PeJP	NA	NA
+PJ103122	TTLMRRW 	C42H70N14O10S	962.512	NA	PeJP	NA	NA
+PJ103123	GGTKKMRW 	C42H70N14O10S	962.5121	NA	PeJP	NA	NA
+PJ103124	GVLFRWW 	C50H66N12O8	962.5127	NA	PeJP	NA	NA
+PJ103125	STTTLERR 	C38H70N14O15	962.5145	NA	PeJP	NA	NA
+PJ103126	GGSTTKKER 	C38H70N14O15	962.5146	NA	PeJP	NA	NA
+PJ103127	PVVLLEMY 	C46H74N8O12S	962.5147	NA	PeJP	NA	NA
+PJ103128	LKEMMRR 	C39H74N14O10S2	962.5154	NA	PeJP	NA	NA
+PJ103129	GQQRRRY 	C39H66N18O11	962.5159	NA	PeJP	NA	NA
+PJ103130	GKKKMWW 	C47H70N12O8S	962.5161	NA	PeJP	NA	NA
+PJ103131	TLLLLEMM 	C43H78N8O12S2	962.5181	NA	PeJP	NA	NA
+PJ103132	SSTTLLRW 	C43H70N12O13	962.5186	NA	PeJP	NA	NA
+PJ103133	GSTCKRRR 	C36H70N18O11S	962.5193	NA	PeJP	NA	NA
+PJ103134	VLKMMRW 	C44H74N12O8S2	962.5194	NA	PeJP	NA	NA
+PJ103135	GNKFRRW 	C44H66N16O9	962.5199	NA	PeJP	NA	NA
+PJ103136	SSLLKEMR 	C40H74N12O13S	962.5219	NA	PeJP	NA	NA
+PJ103137	GDKKKKEM 	C40H74N12O13S	962.522	NA	PeJP	NA	NA
+PJ103138	PLKKEYW 	C48H70N10O11	962.5226	NA	PeJP	NA	NA
+PJ103139	SCKKRRW 	C41H70N16O9S	962.5233	NA	PeJP	NA	NA
+PJ103140	LFRRWW 	C49H66N14O7	962.5239	NA	PeJP	NA	NA
+MJ098796	Pregnane-3,11,12,14,20-pentol, 12-Benzoyl, 11-Ac, 3-O-[6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H78O17	962.523901	NA	MeJP	NA	NA
+PJ103141	SSSDKKRR 	C37H70N16O14	962.5258	NA	PeJP	NA	NA
+PJ103142	ATTLLKMW 	C45H74N10O11S	962.526	NA	PeJP	NA	NA
+PJ103143	VLKFFFY 	C53H70N8O9	962.5266	NA	PeJP	NA	NA
+PJ103144	TLMMRRR 	C38H74N16O9S2	962.5267	NA	PeJP	NA	NA
+PJ103145	TTHHRRR 	C38H66N20O10	962.5271	NA	PeJP	NA	NA
+PJ103146	SSSSLLLKE 	C41H74N10O16	962.5285	NA	PeJP	NA	NA
+PJ103147	ALLKKEMM 	C42H78N10O11S2	962.5293	NA	PeJP	NA	NA
+PJ103148	GSTTKKRW 	C42H70N14O12	962.5298	NA	PeJP	NA	NA
+MJ098797	Patellin 6 	C50H74N8O9S	962.529946	NA	MeJP	NA	NA
+PJ103149	PPVLLMFF 	C50H74N8O9S	962.53	NA	PeJP	NA	NA
+PJ103150	ALLLLEEY 	C46H74N8O14	962.5325	NA	PeJP	NA	NA
+PJ103151	SSTLLMRR 	C39H74N14O12S	962.5332	NA	PeJP	NA	NA
+PJ103152	PVLLLMMF 	C47H78N8O9S2	962.5334	NA	PeJP	NA	NA
+PJ103153	STKKKWW 	C47H70N12O10	962.5338	NA	PeJP	NA	NA
+PJ103154	VKMHHRR 	C40H70N18O8S	962.5345	NA	PeJP	NA	NA
+PJ103155	VLLLLMMM 	C44H82N8O9S3	962.5367	NA	PeJP	NA	NA
+PJ103156	SSSSKRRR 	C36H70N18O13	962.537	NA	PeJP	NA	NA
+PJ103157	DKKKKMW 	C44H74N12O10S	962.5372	NA	PeJP	NA	NA
+PJ103158	ALLKFWW 	C52H70N10O8	962.5378	NA	PeJP	NA	NA
+PJ103159	VVVKFWW 	C52H70N10O8	962.5379	NA	PeJP	NA	NA
+PJ103160	SSSSTLLLR 	C40H74N12O15	962.5397	NA	PeJP	NA	NA
+PJ103161	ATLLKMMR 	C41H78N12O10S2	962.5406	NA	PeJP	NA	NA
+PJ103162	ALERRRY 	C41H70N16O11	962.541	NA	PeJP	NA	NA
+PJ103163	GGGGLKRRY 	C41H70N16O11	962.5411	NA	PeJP	NA	NA
+PJ103164	TTTTLLKW 	C45H74N10O13	962.5437	NA	PeJP	NA	NA
+PJ103165	GSTKKMRR 	C38H74N16O11S	962.5444	NA	PeJP	NA	NA
+MJ098798	20,24-Epoxydammarane-3,12,23,25,28-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098799	20,24-Epoxydammarane-3,12,23,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098800	21-Baccharene-3,18,23,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098801	Antibiotic YL 02107Q-A 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098802	Cucurbit-5-ene-3,11,24,25-tetrol, 24-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl(1?6)]-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098803	Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-?-D-Glucopyranoside, 24-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098804	Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-?-D-Glucopyranoside, 24-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098805	Cucurbit-5-ene-3,11,24,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside], 24-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098806	Cycloartane-3,11,16,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098807	Cycloartane-3,16,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl(1?2)-?-D-glucopyranoside], 25-O-?-L-rhamnopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098808	Dammar-22-ene-3,12,20,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098809	Dammar-22-ene-3,6,12,20,24-pentol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098810	Dammar-23-ene-3,12,20,25-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098811	Dammar-23-ene-3,6,12,20,25-pentol, 6-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098812	Dammar-24-ene-1,3,12,20-tetrol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098813	Dammar-24-ene-2,3,12,20-tetrol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098814	Dammar-24-ene-2,3,12,20-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098815	Dammar-24-ene-3,12,20,26-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098816	Dammar-24-ene-3,6,12,20-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098817	Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098818	Dammar-24-ene-3,6,12,20-tetrol, 6-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098819	Dammar-24-ene-3,6,20,26-tetrol, 3-O-?-Sophoroside, 26-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+MJ098820	Dammar-25-ene-3,12,20,24-tetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O19	962.54503	NA	MeJP	NA	NA
+PJ103166	GLLRRYW 	C46H70N14O9	962.5451	NA	PeJP	NA	NA
+PJ103167	TTLLKKEM 	C42H78N10O13S	962.5471	NA	PeJP	NA	NA
+PJ103168	PPVVLLYY 	C50H74N8O11	962.5477	NA	PeJP	NA	NA
+PJ103169	PVVLLEFF 	C50H74N8O11	962.5478	NA	PeJP	NA	NA
+PJ103170	SKKKMRW 	C43H74N14O9S	962.5484	NA	PeJP	NA	NA
+PJ103171	SSTKKKER 	C39H74N14O14	962.5509	NA	PeJP	NA	NA
+PJ103172	PTLLLLMY 	C47H78N8O11S	962.5511	NA	PeJP	NA	NA
+PJ103173	AAKKKMMR 	C40H78N14O9S2	962.5518	NA	PeJP	NA	NA
+PJ103174	GQKRRRY 	C40H70N18O10	962.5523	NA	PeJP	NA	NA
+PJ103175	ATTTKKKW 	C44H74N12O12	962.5549	NA	PeJP	NA	NA
+PJ103176	SSSLKKKW 	C44H74N12O12	962.555	NA	PeJP	NA	NA
+PJ103177	PVLHRRW 	C45H70N16O8	962.5563	NA	PeJP	NA	NA
+PJ103178	TTTLLKMR 	C41H78N12O12S	962.5583	NA	PeJP	NA	NA
+PJ103179	LLLQKYW 	C49H74N10O10	962.559	NA	PeJP	NA	NA
+PJ103180	VVMFRRR 	C42H74N16O8S	962.5597	NA	PeJP	NA	NA
+PJ103181	SSTTKKRR 	C38H74N16O13	962.5622	NA	PeJP	NA	NA
+PJ103182	APLLKKMY 	C46H78N10O10S	962.5624	NA	PeJP	NA	NA
+PJ103183	PNKHRRR 	C39H70N20O9	962.5635	NA	PeJP	NA	NA
+PJ103184	SSTTTLLLK 	C42H78N10O15	962.5648	NA	PeJP	NA	NA
+PJ103185	SLLLKKMM 	C43H82N10O10S2	962.5657	NA	PeJP	NA	NA
+PJ103186	VLKERRY 	C43H74N14O11	962.5662	NA	PeJP	NA	NA
+MJ098821	Apramide A; 2'-Demethyl 	C51H78N8O8S	962.566332	NA	MeJP	NA	NA
+PJ103187	SLLLLLEY 	C47H78N8O13	962.5689	NA	PeJP	NA	NA
+PJ103188	ATTKKKMR 	C40H78N14O11S	962.5696	NA	PeJP	NA	NA
+PJ103189	VVLKRYW 	C48H74N12O9	962.5702	NA	PeJP	NA	NA
+PJ103190	GVLLKMFR 	C45H78N12O9S	962.5736	NA	PeJP	NA	NA
+PJ103191	TTTKKKKE 	C41H78N12O14	962.5761	NA	PeJP	NA	NA
+PJ103192	GLKKKKMM 	C42H82N12O9S2	962.577	NA	PeJP	NA	NA
+PJ103193	SLLRRRY 	C42H74N16O10	962.5774	NA	PeJP	NA	NA
+PJ103194	GLLLKKEY 	C46H78N10O12	962.5801	NA	PeJP	NA	NA
+PJ103195	AKKKFRW 	C47H74N14O8	962.5814	NA	PeJP	NA	NA
+PJ103196	PLKFFRR 	C47H74N14O8	962.5815	NA	PeJP	NA	NA
+PJ103197	PVVLLLFY 	C51H78N8O10	962.5841	NA	PeJP	NA	NA
+PJ103198	LLKMFRR 	C44H78N14O8S	962.5848	NA	PeJP	NA	NA
+PJ103199	TTTTKKKR 	C40H78N14O13	962.5873	NA	PeJP	NA	NA
+PJ103200	VVLLLLMY 	C48H82N8O10S	962.5875	NA	PeJP	NA	NA
+PJ103201	GKKRRRY 	C41H74N18O9	962.5887	NA	PeJP	NA	NA
+PJ103202	GTLLLKRY 	C45H78N12O11	962.5913	NA	PeJP	NA	NA
+PJ103203	GPPPTLLLR 	C45H78N12O11	962.5914	NA	PeJP	NA	NA
+PJ103204	STLKKKKM 	C42H82N12O11S	962.5947	NA	PeJP	NA	NA
+PJ103205	LLLKKYW 	C50H78N10O9	962.5954	NA	PeJP	NA	NA
+PJ103206	ALLLKKMF 	C47H82N10O9S	962.5987	NA	PeJP	NA	NA
+PJ103207	LQKKKRY 	C44H78N14O10	962.6026	NA	PeJP	NA	NA
+PJ103208	VKKKKFW 	C49H78N12O8	962.6066	NA	PeJP	NA	NA
+PJ103209	TKKKFRR 	C43H78N16O9	962.6138	NA	PeJP	NA	NA
+PJ103210	SVLLLKKY 	C47H82N10O11	962.6165	NA	PeJP	NA	NA
+PJ103211	VVLLLLFF 	C52H82N8O9	962.6205	NA	PeJP	NA	NA
+PJ103212	LLLHRRR 	C42H78N18O8	962.6251	NA	PeJP	NA	NA
+PJ103213	GVLKKKKY 	C46H82N12O10	962.6277	NA	PeJP	NA	NA
+PJ103214	LKKKKRY 	C45H82N14O9	962.639	NA	PeJP	NA	NA
+PJ103215	GPPLLLLLK 	C48H86N10O10	962.6529	NA	PeJP	NA	NA
+PJ103216	VLLLLKKH 	C47H86N12O9	962.6641	NA	PeJP	NA	NA
+MJ098822	Huratoxin; 20-Hexacosanoyl 	C60H98O9	962.721084	NA	MeJP	NA	NA
+HMDB05465	TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H110O6	962.83026	http://www.hmdb.ca/metabolites/HMDB05465	HMDB	NA	NA
+HMDB05465	TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H110O6	962.83026	HMDB05465	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05465	TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H110O6	962.830261	NA	HMDB2010	NA	NA
+MJ098823	Technetium iodomebrofenin 	C30H34I2N4O10Tc(-)	962.95147	NA	MeJP	NA	NA
+2931	NA	TEPGLEEVGEIEQKQLQ	962.9695	MH2+	Inhouse_peptide	NA	peptide
+7858	NA	TEPGLEEVGEIEQKQLQ	962.9695	MH2+	Inhouse_peptide	NA	peptide
+PJ103217	SCCCCCCCH 	C30H49N11O11S7	963.1658	NA	PeJP	NA	NA
+PJ103218	PCCCCCCDD 	C31H49N9O14S6	963.1724	NA	PeJP	NA	NA
+PJ103219	GCCCCDDDM 	C31H49N9O16S5	963.1901	NA	PeJP	NA	NA
+PJ103220	SCCCCCNND 	C30H49N11O15S5	963.2014	NA	PeJP	NA	NA
+MJ098824	Bis[8-hydroxy-5,7-quinolinedisulfonato(3-)-N1,O8]cuprate(4-) tetrahydrogen; Compd. with diethylamine (1:4) 	C34H56CuN6O14S4	963.203334	NA	MeJP	NA	NA
+PJ103221	CCCCCDEW 	C35H49N9O13S5	963.2054	NA	PeJP	NA	NA
+PJ103222	SSCCCCDDE 	C31H49N9O18S4	963.2079	NA	PeJP	NA	NA
+PJ103223	SPCCCCCDM 	C32H53N9O13S6	963.2087	NA	PeJP	NA	NA
+PJ103224	PTCCCCCCE 	C32H53N9O13S6	963.2088	NA	PeJP	NA	NA
+PJ103225	GCCCCCNQM 	C31H53N11O12S6	963.22	NA	PeJP	NA	NA
+MetaCyc04347	3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-coa []	C32H52N7O19P3S1	963.225153	NA	metacyc	NA	NA
+PJ103226	GSCCCDDMM 	C32H53N9O15S5	963.2265	NA	PeJP	NA	NA
+PJ103227	APCCCCCMM 	C33H57N9O10S7	963.2274	NA	PeJP	NA	NA
+PJ103228	GCCCCCCNR 	C30H53N13O11S6	963.2312	NA	PeJP	NA	NA
+PJ103229	SSCCCCNNM 	C31H53N11O14S5	963.2377	NA	PeJP	NA	NA
+PJ103230	GGGGSSCCCCM 	C31H53N11O14S5	963.2378	NA	PeJP	NA	NA
+FL7AAAGL0072	Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside)	C43H47O25	963.24064	215237-92-6	knapsack	NA	NA
+PJ103231	CCCNDDEY 	C35H49N9O17S3	963.2409	NA	PeJP	NA	NA
+PJ103232	SCCCCEMW 	C36H53N9O12S5	963.2418	NA	PeJP	NA	NA
+PJ103233	SSSCCCDEM 	C32H53N9O17S4	963.2443	NA	PeJP	NA	NA
+PJ103234	CCCNEMMM 	C33H57N9O12S6	963.2451	NA	PeJP	NA	NA
+PJ103235	GSCCCCDHH 	C33H49N13O13S4	963.2456	NA	PeJP	NA	NA
+PJ103236	GPCCCDDDH 	C34H49N11O16S3	963.2521	NA	PeJP	NA	NA
+PJ103237	GSSSSCCCCQ 	C31H53N11O16S4	963.2555	NA	PeJP	NA	NA
+PJ103238	GCCCDDYW 	C39H49N9O14S3	963.2562	NA	PeJP	NA	NA
+PJ103239	CCCCDMMR 	C32H57N11O11S6	963.2564	NA	PeJP	NA	NA
+PJ103240	PCCCCCFW 	C40H53N9O9S5	963.257	NA	PeJP	NA	NA
+PJ103241	GSSCCDDDY 	C35H49N9O19S2	963.2586	NA	PeJP	NA	NA
+PJ103242	GSPCCCCEY 	C36H53N9O14S4	963.2595	NA	PeJP	NA	NA
+PJ103243	GCCCMMMW 	C37H57N9O9S6	963.2604	NA	PeJP	NA	NA
+C05263	3-Oxododecanoyl-CoA	C33H56N7O18P3S	963.2615	NA	KEGG	NA	NA
+HMDB03937	3-Oxododecanoyl-CoA	C33H56N7O18P3S	963.261536	NA	HMDB2010	NA	NA
+MJ098825	3-Oxododecanoyl-CoA 	C33H56N7O18P3S	963.261538	NA	MeJP	NA	NA
+HMDB03937	3-Oxododecanoyl-CoA	C33H56N7O18P3S	963.26154	http://www.hmdb.ca/metabolites/HMDB03937	HMDB	NA	NA
+HMDB03937	3-Oxododecanoyl-CoA	C33H56N7O18P3S	963.26154	HMDB03937	PFEM_hmdb_metabocards_official	NA	NA
+PJ103244	GSSCCDMMM 	C33H57N9O14S5	963.2629	NA	PeJP	NA	NA
+PJ103245	CCCCQMHH 	C34H53N13O10S5	963.2642	NA	PeJP	NA	NA
+PJ103246	CNDDDDMH 	C34H49N11O18S2	963.2699	NA	PeJP	NA	NA
+PJ103247	CCCNNNMY 	C35H53N11O13S4	963.2707	NA	PeJP	NA	NA
+PJ103248	GGCCCNNMY 	C35H53N11O13S4	963.2708	NA	PeJP	NA	NA
+C16242	Cobalt-precorrin 5A	C45H52CoN4O16	963.271	NA	KEGG	NA	NA
+PJ103249	SSSSSSCCCN 	C31H53N11O18S3	963.2732	NA	PeJP	NA	NA
+PJ103250	GGSSSSSSCCC 	C31H53N11O18S3	963.2733	NA	PeJP	NA	NA
+PJ103251	SSCCCCCQK 	C32H57N11O13S5	963.2741	NA	PeJP	NA	NA
+PJ103252	SPCCCCYW 	C40H53N9O11S4	963.2748	NA	PeJP	NA	NA
+PJ103253	CCCCCHHR 	C33H53N15O9S5	963.2755	NA	PeJP	NA	NA
+FL7AADGL0023	Peonidin 3-ferulyldiglucoside-5-glucoside	C44H51O24	963.27702	144093-82-3	knapsack	NA	NA
+FL7AAHGL0023	Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-feruloyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside]	C44H51O24	963.27702	303115-57-3	knapsack	NA	NA
+FL7AAIGL0023	Malvidin 3-caffeylrutinoside-5-glucoside	C44H51O24	963.27702	210050-05-8	knapsack	NA	NA
+PJ103254	SCCNDEMY 	C36H53N9O16S3	963.2773	NA	PeJP	NA	NA
+PJ103255	STCCCMMW 	C37H57N9O11S5	963.2781	NA	PeJP	NA	NA
+PJ103256	GGPCCCMMY 	C37H57N9O11S5	963.2782	NA	PeJP	NA	NA
+PJ103257	SSSSCCEMM 	C33H57N9O16S4	963.2806	NA	PeJP	NA	NA
+PJ103258	GSCCNNDDH 	C33H49N13O17S2	963.2811	NA	PeJP	NA	NA
+PJ103259	SCCQMMMM 	C34H61N9O11S6	963.2815	NA	PeJP	NA	NA
+PJ103260	GSSCCCMHH 	C34H53N13O12S4	963.282	NA	PeJP	NA	NA
+PJ103261	GCCDDEHW 	C38H49N11O15S2	963.2852	NA	PeJP	NA	NA
+PJ103262	GSSCDDDEH 	C34H49N11O20S	963.2876	NA	PeJP	NA	NA
+PJ103263	GGGPCNDDDD 	C34H49N11O20S	963.2877	NA	PeJP	NA	NA
+PJ103264	SCCCDDRY 	C35H53N11O15S3	963.2885	NA	PeJP	NA	NA
+PJ103265	APPCCCCMH 	C36H57N11O10S5	963.2894	NA	PeJP	NA	NA
+PJ103266	GCNDDDYY 	C39H49N9O18S	963.2917	NA	PeJP	NA	NA
+PJ103267	GSSSSCCCCK 	C32H57N11O15S4	963.2919	NA	PeJP	NA	NA
+PJ103268	GSCCDMYW 	C40H53N9O13S3	963.2925	NA	PeJP	NA	NA
+PJ103269	SCCCMMMR 	C33H61N11O10S6	963.2928	NA	PeJP	NA	NA
+PJ103270	GSPDDDDDE 	C35H49N9O23	963.2942	NA	PeJP	NA	NA
+PJ103271	GSSSCDDMY 	C36H53N9O18S2	963.295	NA	PeJP	NA	NA
+PJ103272	GPPCDDDDM 	C36H53N9O18S2	963.2951	NA	PeJP	NA	NA
+PJ103273	GCNDMMMY 	C37H57N9O13S4	963.2959	NA	PeJP	NA	NA
+PJ103274	CCCFYYY 	C45H53N7O11S3	963.2965	NA	PeJP	NA	NA
+PJ103275	GSSSCMMMM 	C34H61N9O13S5	963.2993	NA	PeJP	NA	NA
+PJ103276	SSSTCCCHH 	C34H53N13O14S3	963.2997	NA	PeJP	NA	NA
+PJ103277	GGGGCCNEMH 	C34H53N13O14S3	963.2998	NA	PeJP	NA	NA
+PJ103278	CCDDHWW 	C42H49N11O12S2	963.3004	NA	PeJP	NA	NA
+PJ103279	CCCCKMHH 	C35H57N13O9S5	963.3006	NA	PeJP	NA	NA
+PJ103280	SSCDDDHW 	C38H49N11O17S	963.3029	NA	PeJP	NA	NA
+PJ103281	SPCCCEHW 	C39H53N11O12S3	963.3038	NA	PeJP	NA	NA
+PJ103282	SSSSDDDDH 	C34H49N11O22	963.3054	NA	PeJP	NA	NA
+PJ103283	SSSSCCNNY 	C35H53N11O17S2	963.3063	NA	PeJP	NA	NA
+PJ103284	GCCCEMRY 	C36H57N11O12S4	963.3071	NA	PeJP	NA	NA
+PJ103285	GGGACCCCKY 	C36H57N11O12S4	963.3072	NA	PeJP	NA	NA
+PJ103286	TCCCYWW 	C44H53N9O10S3	963.3078	NA	PeJP	NA	NA
+PJ103287	SPDDDDDW 	C39H49N9O20	963.3094	NA	PeJP	NA	NA
+PJ103288	SSSCCEYW 	C40H53N9O15S2	963.3103	NA	PeJP	NA	NA
+PJ103289	SSCCCCCKK 	C33H61N11O12S5	963.3105	NA	PeJP	NA	NA
+PJ103290	CCCNNDHR 	C33H53N15O13S3	963.311	NA	PeJP	NA	NA
+PJ103291	CCQMMYW 	C41H57N9O10S4	963.3112	NA	PeJP	NA	NA
+PJ103292	SSSSSCDEY 	C36H53N9O20S	963.3128	NA	PeJP	NA	NA
+PJ103293	SSCNEMMY 	C37H57N9O15S3	963.3137	NA	PeJP	NA	NA
+PJ103294	SCCYYYY 	C45H53N7O13S2	963.3143	NA	PeJP	NA	NA
+PJ103295	GCNMMMMF 	C38H61N9O10S5	963.3145	NA	PeJP	NA	NA
+PJ103296	GCCNNMHW 	C38H53N13O11S3	963.315	NA	PeJP	NA	NA
+PJ103297	GSNNNNDDD 	C33H49N13O21	963.3166	NA	PeJP	NA	NA
+PJ103298	GGGGGSNNDDD 	C33H49N13O21	963.3167	NA	PeJP	NA	NA
+PJ103299	DDEEMYY 	C41H53N7O18S	963.3168	NA	PeJP	NA	NA
+PJ103300	SSSSTCMMM 	C34H61N9O15S4	963.317	NA	PeJP	NA	NA
+PJ103301	SCCDDEHR 	C34H53N13O16S2	963.3175	NA	PeJP	NA	NA
+PJ103302	SCCKMMMM 	C35H65N9O10S6	963.3179	NA	PeJP	NA	NA
+PJ103303	PCCCDMHR 	C35H57N13O11S4	963.3184	NA	PeJP	NA	NA
+PJ103304	GNNDDDEW 	C38H49N11O19	963.3207	NA	PeJP	NA	NA
+PJ103305	EEMMMMY 	C39H61N7O13S4	963.3211	NA	PeJP	NA	NA
+PJ103306	GSCDEMHW 	C39H53N11O14S2	963.3215	NA	PeJP	NA	NA
+PJ103307	CCCMRYW 	C40H57N11O9S4	963.3224	NA	PeJP	NA	NA
+PJ103308	PCDDDDER 	C35H53N11O19S	963.324	NA	PeJP	NA	NA
+PJ103309	GGGGGSPDDDM 	C35H53N11O19S	963.3241	NA	PeJP	NA	NA
+PJ103310	SSCCDMRY 	C36H57N11O14S3	963.3249	NA	PeJP	NA	NA
+PJ103311	SCNDDHHH 	C36H49N15O15S	963.3254	NA	PeJP	NA	NA
+PJ103312	CCNEFYW 	C44H53N9O12S2	963.3255	NA	PeJP	NA	NA
+PJ103313	GGCCEFYW 	C44H53N9O12S2	963.3256	NA	PeJP	NA	NA
+PJ103314	ACCCMMFR 	C37H61N11O9S5	963.3258	NA	PeJP	NA	NA
+PJ103315	PCCCQHHH 	C37H53N15O10S3	963.3262	NA	PeJP	NA	NA
+PJ103316	GAPCCCHHH 	C37H53N15O10S3	963.3263	NA	PeJP	NA	NA
+PJ103317	GSNDDMYY 	C40H53N9O17S	963.328	NA	PeJP	NA	NA
+PJ103318	GPDDDEMW 	C40H53N9O17S	963.3281	NA	PeJP	NA	NA
+PJ103319	GSSCMMYW 	C41H57N9O12S3	963.3289	NA	PeJP	NA	NA
+PJ103320	GNEEEEEE 	C36H53N9O22	963.3306	NA	PeJP	NA	NA
+PJ103321	GSSSSDMMY 	C37H57N9O17S2	963.3314	NA	PeJP	NA	NA
+PJ103322	PNDDDDHH 	C37H49N13O18	963.3319	NA	PeJP	NA	NA
+PJ103323	GSNMMMMY 	C38H61N9O12S4	963.3323	NA	PeJP	NA	NA
+PJ103324	SSCCNQHW 	C38H53N13O13S2	963.3328	NA	PeJP	NA	NA
+PJ103325	SSSSCNNEH 	C34H53N13O18S	963.3352	NA	PeJP	NA	NA
+PJ103326	GGSSSSCNEH 	C34H53N13O18S	963.3353	NA	PeJP	NA	NA
+PJ103327	DEEMMFY 	C42H57N7O15S2	963.3354	NA	PeJP	NA	NA
+PJ103328	NNDDDWW 	C42H49N11O16	963.3359	NA	PeJP	NA	NA
+PJ103329	GCDDMMHR 	C35H57N13O13S3	963.3361	NA	PeJP	NA	NA
+PJ103330	GGGPPCCCDR 	C35H57N13O13S3	963.3362	NA	PeJP	NA	NA
+PJ103331	SCDMHWW 	C43H53N11O11S2	963.3368	NA	PeJP	NA	NA
+PJ103332	SSSDDMHW 	C39H53N11O16S	963.3393	NA	PeJP	NA	NA
+PJ103333	NDMMMHW 	C40H57N11O11S3	963.3402	NA	PeJP	NA	NA
+PJ103334	GCCFYWW 	C48H53N9O9S2	963.3408	NA	PeJP	NA	NA
+PJ103335	GDDDEEER 	C35H53N11O21	963.3418	NA	PeJP	NA	NA
+PJ103336	SSPTTCCEH 	C36H57N11O16S2	963.3426	NA	PeJP	NA	NA
+PJ103337	SSNEEMMH 	C36H57N11O16S2	963.3427	NA	PeJP	NA	NA
+PJ103338	PDDDMWW 	C44H53N9O14S	963.3433	NA	PeJP	NA	NA
+PJ103339	GTCCMMRY 	C37H61N11O11S4	963.3435	NA	PeJP	NA	NA
+PJ103340	GCNEMHHH 	C37H53N15O12S2	963.344	NA	PeJP	NA	NA
+PJ103341	CCQMFFW 	C45H57N9O9S3	963.3442	NA	PeJP	NA	NA
+PJ103342	NEEEEEW 	C40H53N9O19	963.3458	NA	PeJP	NA	NA
+PJ103343	CNNNNDDR 	C33H53N15O17S	963.3465	NA	PeJP	NA	NA
+PJ103344	SSSTCMYW 	C41H57N9O14S2	963.3467	NA	PeJP	NA	NA
+PJ103345	SCCNNMHR 	C34H57N15O12S3	963.3474	NA	PeJP	NA	NA
+PJ103346	CCKMMYW 	C42H61N9O9S4	963.3475	NA	PeJP	NA	NA
+PJ103347	PPPCCMMW 	C42H61N9O9S4	963.3476	NA	PeJP	NA	NA
+PJ103348	GCCNHHFF 	C42H53N13O10S2	963.348	NA	PeJP	NA	NA
+PJ103349	SSSSSSEMY 	C37H57N9O19S	963.3492	NA	PeJP	NA	NA
+PJ103350	PDDEYYY 	C45H53N7O17	963.3498	NA	PeJP	NA	NA
+PJ103351	SSSQMMMY 	C38H61N9O14S3	963.35	NA	PeJP	NA	NA
+PJ103352	PPNDEMMM 	C38H61N9O14S3	963.3501	NA	PeJP	NA	NA
+PJ103353	GSSSSCNHW 	C38H53N13O15S	963.3505	NA	PeJP	NA	NA
+PJ103354	GGGGGGGGGDMW 	C38H53N13O15S	963.3506	NA	PeJP	NA	NA
+PJ103355	ACCKMMMF 	C39H65N9O9S5	963.3509	NA	PeJP	NA	NA
+PJ103356	CCEMHRW 	C39H57N13O10S3	963.3514	NA	PeJP	NA	NA
+PJ103357	SNNDDDER 	C34H53N13O20	963.353	NA	PeJP	NA	NA
+PJ103358	GGGGGGGGGSSEE 	C34H53N13O20	963.3531	NA	PeJP	NA	NA
+PJ103359	TEEEMYY 	C42H57N7O17S	963.3532	NA	PeJP	NA	NA
+PJ103360	SSCDEMHR 	C35H57N13O15S2	963.3539	NA	PeJP	NA	NA
+PJ103361	PEMMMYY 	C43H61N7O12S3	963.3541	NA	PeJP	NA	NA
+PJ103362	GSPCNDWW 	C43H53N11O13S	963.3545	NA	PeJP	NA	NA
+PJ103363	GGDDMHFW 	C43H53N11O13S	963.3546	NA	PeJP	NA	NA
+PJ103364	SPCCMMHR 	C36H61N13O10S4	963.3548	NA	PeJP	NA	NA
+PJ103365	GCCDHHHR 	C36H53N17O11S2	963.3552	NA	PeJP	NA	NA
+PJ103366	ACMMHWW 	C44H57N11O8S3	963.3554	NA	PeJP	NA	NA
+PJ103367	DDDEERW 	C39H53N11O18	963.357	NA	PeJP	NA	NA
+PJ103368	GGGSNEEEW 	C39H53N11O18	963.3571	NA	PeJP	NA	NA
+PJ103369	GSSEMMHW 	C40H57N11O13S2	963.3579	NA	PeJP	NA	NA
+PJ103370	GSCYYWW 	C48H53N9O11S	963.3586	NA	PeJP	NA	NA
+PJ103371	MMMMHHF 	C41H61N11O8S4	963.3588	NA	PeJP	NA	NA
+MJ098826	Antibiotic SQ 28504 	C35H61N7O22S	963.359037	NA	MeJP	NA	NA
+PJ103372	CNMHHHW 	C41H53N15O9S2	963.3593	NA	PeJP	NA	NA
+PJ103373	SPDDDEMR 	C36H57N11O18S	963.3604	NA	PeJP	NA	NA
+PJ103374	GEEEEWW 	C44H53N9O16	963.3611	NA	PeJP	NA	NA
+PJ103375	SSSCMMRY 	C37H61N11O13S3	963.3613	NA	PeJP	NA	NA
+PJ103376	SSNDMHHH 	C37H53N15O14S	963.3618	NA	PeJP	NA	NA
+PJ103377	GNMMYYW 	C45H57N9O11S2	963.3619	NA	PeJP	NA	NA
+PJ103378	PCCCKHHH 	C38H57N15O9S3	963.3626	NA	PeJP	NA	NA
+PJ103379	SSSNNNNNN 	C33H53N15O19	963.3642	NA	PeJP	NA	NA
+PJ103380	GGGGSSSNNNN 	C33H53N15O19	963.3643	NA	PeJP	NA	NA
+PJ103381	GSPEEEMW 	C41H57N9O16S	963.3644	NA	PeJP	NA	NA
+PJ103382	GGPPDDEMF 	C41H57N9O16S	963.3645	NA	PeJP	NA	NA
+PJ103383	GSSSCCQHR 	C34H57N15O14S2	963.3651	NA	PeJP	NA	NA
+PJ103384	GGGGGGGSPCCR 	C34H57N15O14S2	963.3652	NA	PeJP	NA	NA
+PJ103385	GPPDMMMW 	C42H61N9O11S3	963.3653	NA	PeJP	NA	NA
+PJ103386	CNNNQWW 	C42H53N13O12S	963.3658	NA	PeJP	NA	NA
+PJ103387	GDKEEEEE 	C37H57N9O21	963.3669	NA	PeJP	NA	NA
+PJ103388	ADDKEEEE 	C37H57N9O21	963.367	NA	PeJP	NA	NA
+PJ103389	GSSSTTMMY 	C38H61N9O16S2	963.3678	NA	PeJP	NA	NA
+PJ103390	GSNDDDRW 	C38H53N13O17	963.3683	NA	PeJP	NA	NA
+PJ103391	PDEMFYY 	C46H57N7O14S	963.3685	NA	PeJP	NA	NA
+PJ103392	GTCKMMMY 	C39H65N9O11S4	963.3687	NA	PeJP	NA	NA
+PJ103393	APCCNDRW 	C39H57N13O12S2	963.3691	NA	PeJP	NA	NA
+PJ103394	GPCCNERW 	C39H57N13O12S2	963.3692	NA	PeJP	NA	NA
+PJ103395	GCEHFWW 	C47H53N11O10S	963.3698	NA	PeJP	NA	NA
+PJ103396	VCNNDDER 	C35H57N13O17S	963.3716	NA	PeJP	NA	NA
+PJ103397	GNNDEEMR 	C35H57N13O17S	963.3717	NA	PeJP	NA	NA
+PJ103398	VEEMMYY 	C43H61N7O14S2	963.3718	NA	PeJP	NA	NA
+PJ103399	SNNEEWW 	C43H53N11O15	963.3723	NA	PeJP	NA	NA
+PJ103400	GSDMMMHR 	C36H61N13O12S3	963.3725	NA	PeJP	NA	NA
+PJ103401	SSMMHWW 	C44H57N11O10S2	963.3732	NA	PeJP	NA	NA
+PJ103402	SSSTEMHW 	C40H57N11O15S	963.3757	NA	PeJP	NA	NA
+PJ103403	EEEWWW 	C48H53N9O13	963.3763	NA	PeJP	NA	NA
+PJ103404	TQMMMHW 	C41H61N11O10S3	963.3765	NA	PeJP	NA	NA
+PJ103405	GAPPCCCKW 	C41H61N11O10S3	963.3766	NA	PeJP	NA	NA
+PJ103406	GSTCHHHW 	C41H53N15O11S	963.377	NA	PeJP	NA	NA
+PJ103407	GSEEEEER 	C36H57N11O20	963.3782	NA	PeJP	NA	NA
+PJ103408	APDDEMMR 	C37H61N11O15S2	963.379	NA	PeJP	NA	NA
+PJ103409	GPDEEMMR 	C37H61N11O15S2	963.3791	NA	PeJP	NA	NA
+PJ103410	NNNNNNNF 	C37H53N15O16	963.3795	NA	PeJP	NA	NA
+PJ103411	GGGGGGGGGGGGNF 	C37H53N15O16	963.3796	NA	PeJP	NA	NA
+PJ103412	SPEEMWW 	C45H57N9O13S	963.3797	NA	PeJP	NA	NA
+PJ103413	GVQMMMMH 	C38H65N11O10S4	963.3799	NA	PeJP	NA	NA
+PJ103414	GCCNQHFR 	C38H57N15O11S2	963.3804	NA	PeJP	NA	NA
+PJ103415	CCKMFFW 	C46H61N9O8S3	963.3806	NA	PeJP	NA	NA
+PJ103416	DKEEEEW 	C41H57N9O18	963.3822	NA	PeJP	NA	NA
+PJ103417	GCNDDERR 	C34H57N15O16S	963.3829	NA	PeJP	NA	NA
+PJ103418	TQQMMYY 	C42H61N9O13S2	963.383	NA	PeJP	NA	NA
+PJ103419	AAPEEMMW 	C42H61N9O13S2	963.3831	NA	PeJP	NA	NA
+PJ103420	GSSNNNWW 	C42H53N13O14	963.3835	NA	PeJP	NA	NA
+PJ103421	GGGGGGGSSWW 	C42H53N13O14	963.3836	NA	PeJP	NA	NA
+PJ103422	SCCCQKHR 	C35H61N15O11S3	963.3838	NA	PeJP	NA	NA
+PJ103423	PCCNRWW 	C43H57N13O9S2	963.3844	NA	PeJP	NA	NA
+PJ103424	CHFWWW 	C51H53N11O7S	963.3851	NA	PeJP	NA	NA
+PJ103425	SSSSTTTMY 	C38H61N9O18S	963.3855	NA	PeJP	NA	NA
+PJ103426	GLQEEEEM 	C38H61N9O18S	963.3856	NA	PeJP	NA	NA
+PJ103427	PTEEYYY 	C46H57N7O16	963.3862	NA	PeJP	NA	NA
+PJ103428	SSSKMMMY 	C39H65N9O13S3	963.3864	NA	PeJP	NA	NA
+PJ103429	NNDEMRW 	C39H57N13O14S	963.3869	NA	PeJP	NA	NA
+PJ103430	PPMMYYY 	C47H61N7O11S2	963.3871	NA	PeJP	NA	NA
+PJ103431	GSNEWWW 	C47H53N11O12	963.3876	NA	PeJP	NA	NA
+PJ103432	TCMMHRW 	C40H61N13O9S3	963.3878	NA	PeJP	NA	NA
+PJ103433	EMHHHHH 	C40H53N17O10S	963.3883	NA	PeJP	NA	NA
+MJ098827	Taxol?; N-Debenzoyl, N-tigloyl, 7-O-?-D-xylopyranoside 	C50H61NO18	963.388864	NA	MeJP	NA	NA
+PJ103434	SSNNEEER 	C35H57N13O19	963.3894	NA	PeJP	NA	NA
+PJ103435	SSSEMMHR 	C36H61N13O14S2	963.3903	NA	PeJP	NA	NA
+PJ103436	LEMMMFY 	C44H65N7O11S3	963.3905	NA	PeJP	NA	NA
+PJ103437	SNNNNQHH 	C36H53N17O15	963.3907	NA	PeJP	NA	NA
+PJ103438	GNNDDHHR 	C36H53N17O15	963.3908	NA	PeJP	NA	NA
+PJ103439	GQQEMWW 	C44H57N11O12S	963.3909	NA	PeJP	NA	NA
+PJ103440	QMMMMHR 	C37H65N13O9S4	963.3911	NA	PeJP	NA	NA
+PJ103441	GAMMMMHR 	C37H65N13O9S4	963.3912	NA	PeJP	NA	NA
+PJ103442	GSCMHHHR 	C37H57N17O10S2	963.3916	NA	PeJP	NA	NA
+PJ103443	CHHHHFF 	C45H53N15O8S	963.3923	NA	PeJP	NA	NA
+PJ103444	SEEEERW 	C40H57N11O17	963.3934	NA	PeJP	NA	NA
+PJ103445	GGGGGAAPEEY 	C40H57N11O17	963.3935	NA	PeJP	NA	NA
+PJ103446	PDEMMRW 	C41H61N11O12S2	963.3943	NA	PeJP	NA	NA
+PJ103447	SSSSHHHW 	C41H53N15O13	963.3948	NA	PeJP	NA	NA
+PJ103448	GNMFFYW 	C49H57N9O10S	963.3949	NA	PeJP	NA	NA
+PJ103449	PPCEFWW 	C49H57N9O10S	963.395	NA	PeJP	NA	NA
+PJ103450	AAEEEEMR 	C37H61N11O17S	963.3968	NA	PeJP	NA	NA
+PJ103451	GSSTTYYW 	C45H57N9O15	963.3974	NA	PeJP	NA	NA
+PJ103452	SVEEEWW 	C45H57N9O15	963.3975	NA	PeJP	NA	NA
+PJ103453	SPPDMMMR 	C38H65N11O12S3	963.3977	NA	PeJP	NA	NA
+PJ103454	CNDDRRW 	C38H57N15O13S	963.3981	NA	PeJP	NA	NA
+PJ103455	GGCDDRRW 	C38H57N15O13S	963.3982	NA	PeJP	NA	NA
+PJ103456	PVDMMWW 	C46H61N9O10S2	963.3983	NA	PeJP	NA	NA
+PJ103457	SPDHHWW 	C46H53N13O11	963.3988	NA	PeJP	NA	NA
+PJ103458	SSNDDDRR 	C34H57N15O18	963.4006	NA	PeJP	NA	NA
+PJ103459	GGSSDDDRR 	C34H57N15O18	963.4007	NA	PeJP	NA	NA
+PJ103460	LQEEEMW 	C42H61N9O15S	963.4008	NA	PeJP	NA	NA
+PJ103461	PPDFYYY 	C50H57N7O13	963.4015	NA	PeJP	NA	NA
+PJ103462	APPTMMMW 	C43H65N9O10S3	963.4017	NA	PeJP	NA	NA
+PJ103463	CNNKHYW 	C43H57N13O11S	963.4021	NA	PeJP	NA	NA
+PJ103464	GNDMRWW 	C43H57N13O11S	963.4022	NA	PeJP	NA	NA
+PJ103465	CMMMHRR 	C36H65N15O8S4	963.4024	NA	PeJP	NA	NA
+PJ103466	SNWWWW 	C51H53N11O9	963.4028	NA	PeJP	NA	NA
+PJ103467	ATKEEEEE 	C38H61N9O20	963.4033	NA	PeJP	NA	NA
+PJ103468	APKEEEMM 	C39H65N9O15S2	963.4042	NA	PeJP	NA	NA
+PJ103469	SSSNQQQW 	C39H57N13O16	963.4046	NA	PeJP	NA	NA
+PJ103470	GSSNEERW 	C39H57N13O16	963.4047	NA	PeJP	NA	NA
+PJ103471	PVEMYYY 	C47H61N7O13S	963.4048	NA	PeJP	NA	NA
+PJ103472	PPVQMMMM 	C40H69N9O10S4	963.4051	NA	PeJP	NA	NA
+PJ103473	GSPCQMRW 	C40H61N13O11S2	963.4055	NA	PeJP	NA	NA
+PJ103474	GGGAPPCCFR 	C40H61N13O11S2	963.4056	NA	PeJP	NA	NA
+PJ103475	GPNEHHHH 	C40H53N17O12	963.406	NA	PeJP	NA	NA
+PJ103476	QQMWWW 	C48H57N11O9S	963.4062	NA	PeJP	NA	NA
+PJ103477	DEEEMRR 	C36H61N13O16S	963.408	NA	PeJP	NA	NA
+PJ103478	GGGGATEEMR 	C36H61N13O16S	963.4081	NA	PeJP	NA	NA
+PJ103479	SNDKEWW 	C44H57N11O14	963.4087	NA	PeJP	NA	NA
+PJ103480	GTTMMMHR 	C37H65N13O11S3	963.4089	NA	PeJP	NA	NA
+PJ103481	SSTCHHHR 	C37H57N17O12S	963.4094	NA	PeJP	NA	NA
+PJ103482	VNMMHFW 	C45H61N11O9S2	963.4095	NA	PeJP	NA	NA
+PJ103483	PCNKMWW 	C45H61N11O9S2	963.4096	NA	PeJP	NA	NA
+PJ103484	GNQHHWW 	C45H53N15O10	963.41	NA	PeJP	NA	NA
+PJ103485	STTTTMHW 	C41H61N11O14S	963.412	NA	PeJP	NA	NA
+PJ103486	VDEEMRW 	C41H61N11O14S	963.4121	NA	PeJP	NA	NA
+MJ098828	Lyciumin; Lyciumin C 	C49H57N9O12	963.412668	NA	MeJP	NA	NA
+PJ103487	SPPEYWW 	C49H57N9O12	963.4127	NA	PeJP	NA	NA
+PJ103488	GGGCNNMRR 	C34H61N17O12S2	963.4128	NA	PeJP	NA	NA
+PJ103489	TKMMMHW 	C42H65N11O9S3	963.4129	NA	PeJP	NA	NA
+PJ103490	PCEHHRW 	C42H57N15O10S	963.4134	NA	PeJP	NA	NA
+PJ103491	SSTTTTTEH 	C37H61N11O19	963.4145	NA	PeJP	NA	NA
+PJ103492	ATTEEEER 	C37H61N11O19	963.4146	NA	PeJP	NA	NA
+PJ103493	APTEEMMR 	C38H65N11O14S2	963.4154	NA	PeJP	NA	NA
+PJ103494	GGGGGGVLEMM 	C38H65N11O14S2	963.4155	NA	PeJP	NA	NA
+PJ103495	SSSNNNRW 	C38H57N15O15	963.4159	NA	PeJP	NA	NA
+PJ103496	ALEEMWW 	C46H61N9O12S	963.4161	NA	PeJP	NA	NA
+PJ103497	APPMMMMR 	C39H69N11O9S4	963.4163	NA	PeJP	NA	NA
+PJ103498	GSPCCRRW 	C39H61N15O10S2	963.4168	NA	PeJP	NA	NA
+PJ103499	CQRWWW 	C47H57N13O8S	963.4174	NA	PeJP	NA	NA
+PJ103500	GTTLEEEW 	C42H61N9O17	963.4186	NA	PeJP	NA	NA
+PJ103501	GSNDEMRR 	C35H61N15O15S	963.4193	NA	PeJP	NA	NA
+PJ103502	PPTTTMMW 	C43H65N9O12S2	963.4194	NA	PeJP	NA	NA
+PJ103503	GPTLEMMW 	C43H65N9O12S2	963.4195	NA	PeJP	NA	NA
+PJ103504	SSNERWW 	C43H57N13O13	963.4199	NA	PeJP	NA	NA
+PJ103505	GGGGGGGGGVFW 	C43H57N13O13	963.42	NA	PeJP	NA	NA
+PJ103506	PPMFFYY 	C51H61N7O10S	963.4201	NA	PeJP	NA	NA
+PJ103507	GGGPCMMRR 	C36H65N15O10S3	963.4202	NA	PeJP	NA	NA
+PJ103508	GMMHFRW 	C44H61N13O8S2	963.4208	NA	PeJP	NA	NA
+PJ103509	PNHHHHW 	C44H53N17O9	963.4213	NA	PeJP	NA	NA
+PJ103510	GSPTTLEEM 	C39H65N9O17S	963.4219	NA	PeJP	NA	NA
+PJ103511	GLKEEEEM 	C39H65N9O17S	963.422	NA	PeJP	NA	NA
+PJ103512	VVEEYYY 	C47H61N7O15	963.4226	NA	PeJP	NA	NA
+PJ103513	PPTKEMMM 	C40H69N9O12S3	963.4228	NA	PeJP	NA	NA
+PJ103514	SQQEMRW 	C40H61N13O13S	963.4233	NA	PeJP	NA	NA
+PJ103515	PLMMFYY 	C48H65N7O10S2	963.4235	NA	PeJP	NA	NA
+PJ103516	GSDKWWW 	C48H57N11O11	963.4239	NA	PeJP	NA	NA
+PJ103517	GGGAAPYWW 	C48H57N11O11	963.424	NA	PeJP	NA	NA
+PJ103518	CQHHHFR 	C41H57N17O9S	963.4246	NA	PeJP	NA	NA
+PJ103519	SSNDKEER 	C36H61N13O18	963.4258	NA	PeJP	NA	NA
+PJ103520	SSPQQMMR 	C37H65N13O13S2	963.4266	NA	PeJP	NA	NA
+PJ103521	STTTMMHR 	C37H65N13O13S2	963.4267	NA	PeJP	NA	NA
+PJ103522	LLMMMYY 	C45H69N7O10S3	963.4268	NA	PeJP	NA	NA
+PJ103523	DDEHHRR 	C37H57N17O14	963.4271	NA	PeJP	NA	NA
+PJ103524	GGGGGTEHHR 	C37H57N17O14	963.4272	NA	PeJP	NA	NA
+PJ103525	GQKEMWW 	C45H61N11O11S	963.4273	NA	PeJP	NA	NA
+PJ103526	KMMMMHR 	C38H69N13O8S4	963.4275	NA	PeJP	NA	NA
+PJ103527	GNFFFFW 	C53H57N9O9	963.428	NA	PeJP	NA	NA
+PJ103528	GSTQKEEW 	C41H61N11O16	963.4298	NA	PeJP	NA	NA
+PJ103529	GSCDDRRR 	C34H61N17O14S	963.4305	NA	PeJP	NA	NA
+PJ103530	GSPQKMMW 	C42H65N11O11S2	963.4307	NA	PeJP	NA	NA
+PJ103531	NNNNFRW 	C42H57N15O12	963.4311	NA	PeJP	NA	NA
+PJ103532	GGNNNFRW 	C42H57N15O12	963.4312	NA	PeJP	NA	NA
+PJ103533	PPCLYWW 	C50H61N9O9S	963.4313	NA	PeJP	NA	NA
+PJ103534	APCCCRRR 	C35H65N17O9S3	963.4314	NA	PeJP	NA	NA
+PJ103535	GTLEEEMR 	C38H65N11O16S	963.4332	NA	PeJP	NA	NA
+PJ103536	TTLEEWW 	C46H61N9O14	963.4338	NA	PeJP	NA	NA
+PJ103537	GAAPPEEFF 	C46H61N9O14	963.4339	NA	PeJP	NA	NA
+PJ103538	GPLEMMMR 	C39H69N11O11S3	963.4341	NA	PeJP	NA	NA
+PJ103539	SNDMRRW 	C39H61N15O12S	963.4345	NA	PeJP	NA	NA
+PJ103540	GGGGGAALMHH 	C39H61N15O12S	963.4346	NA	PeJP	NA	NA
+PJ103541	PTLMMWW 	C47H65N9O9S2	963.4347	NA	PeJP	NA	NA
+PJ103542	GSSRWWW 	C47H57N13O10	963.4352	NA	PeJP	NA	NA
+PJ103543	SSSNEERR 	C35H61N15O17	963.437	NA	PeJP	NA	NA
+PJ103544	LKEEEMW 	C43H65N9O14S	963.4372	NA	PeJP	NA	NA
+PJ103545	PPVYYYY 	C51H61N7O12	963.4378	NA	PeJP	NA	NA
+MJ098829	Antibiotic CBS 154-94A 	C51H61N7O12	963.43782	NA	MeJP	NA	NA
+PJ103546	PVEFFYY 	C51H61N7O12	963.4379	NA	PeJP	NA	NA
+PJ103547	GPVLMMMW 	C44H69N9O9S3	963.4381	NA	PeJP	NA	NA
+PJ103548	GTQMRWW 	C44H61N13O10S	963.4385	NA	PeJP	NA	NA
+PJ103549	GGATMRWW 	C44H61N13O10S	963.4386	NA	PeJP	NA	NA
+PJ103550	AAHFFWW 	C52H57N11O8	963.4392	NA	PeJP	NA	NA
+PJ103551	STLKEEEE 	C39H65N9O19	963.4397	NA	PeJP	NA	NA
+PJ103552	SPLKEEMM 	C40H69N9O14S2	963.4406	NA	PeJP	NA	NA
+PJ103553	GSTTQERW 	C40H61N13O15	963.441	NA	PeJP	NA	NA
+PJ103554	GSSDKERW 	C40H61N13O15	963.4411	NA	PeJP	NA	NA
+PJ103555	VLEMFYY 	C48H65N7O12S	963.4412	NA	PeJP	NA	NA
+PJ103556	PPVKMMMM 	C41H73N9O9S4	963.4415	NA	PeJP	NA	NA
+PJ103557	VNQMMRW 	C41H65N13O10S2	963.4419	NA	PeJP	NA	NA
+PJ103558	SNQHHRW 	C41H57N17O11	963.4424	NA	PeJP	NA	NA
+PJ103559	QKMWWW 	C49H61N11O8S	963.4426	NA	PeJP	NA	NA
+PJ103560	GSQKEEMR 	C37H65N13O15S	963.4444	NA	PeJP	NA	NA
+PJ103561	STQKEWW 	C45H61N11O13	963.4451	NA	PeJP	NA	NA
+PJ103562	GPNKMMMR 	C38H69N13O10S3	963.4453	NA	PeJP	NA	NA
+PJ103563	QQQMHHR 	C38H61N17O11S	963.4458	NA	PeJP	NA	NA
+PJ103564	PPMMFRW 	C46H65N11O8S2	963.4459	NA	PeJP	NA	NA
+PJ103565	GNKHHWW 	C46H57N15O9	963.4464	NA	PeJP	NA	NA
+PJ103566	GSSSSNNRR 	C34H61N17O16	963.4483	NA	PeJP	NA	NA
+PJ103567	TLEEMRW 	C42H65N11O13S	963.4484	NA	PeJP	NA	NA
+PJ103568	GGKKEEMW 	C42H65N11O13S	963.4485	NA	PeJP	NA	NA
+PJ103569	APLEYWW 	C50H61N9O11	963.4491	NA	PeJP	NA	NA
+PJ103570	GGGGACCKRR 	C35H65N17O11S2	963.4492	NA	PeJP	NA	NA
+PJ103571	PLMMMRW 	C43H69N11O8S3	963.4493	NA	PeJP	NA	NA
+PJ103572	GTCRRWW 	C43H61N15O9S	963.4498	NA	PeJP	NA	NA
+PJ103573	LHHWWW 	C51H57N13O7	963.4504	NA	PeJP	NA	NA
+PJ103574	STTLEEER 	C38H65N11O18	963.4509	NA	PeJP	NA	NA
+PJ103575	GGSTKKEEE 	C38H65N11O18	963.451	NA	PeJP	NA	NA
+PJ103576	GVLEEMMR 	C39H69N11O13S2	963.4518	NA	PeJP	NA	NA
+PJ103577	GSSSERRW 	C39H61N15O14	963.4523	NA	PeJP	NA	NA
+PJ103578	PCKKYYY 	C47H65N9O11S	963.4524	NA	PeJP	NA	NA
+PJ103579	SLLEMWW 	C47H65N9O11S	963.4525	NA	PeJP	NA	NA
+PJ103580	VCNMRRW 	C40H65N15O9S2	963.4531	NA	PeJP	NA	NA
+PJ103581	GQMMRRW 	C40H65N15O9S2	963.4532	NA	PeJP	NA	NA
+PJ103582	GSPHHHHR 	C40H57N19O10	963.4536	NA	PeJP	NA	NA
+PJ103583	CKRWWW 	C48H61N13O7S	963.4538	NA	PeJP	NA	NA
+PJ103584	STTTTKYY 	C43H65N9O16	963.4549	NA	PeJP	NA	NA
+PJ103585	SSTLLEEW 	C43H65N9O16	963.455	NA	PeJP	NA	NA
+PJ103586	SSVCQERR 	C36H65N15O14S	963.4556	NA	PeJP	NA	NA
+PJ103587	GSTQEMRR 	C36H65N15O14S	963.4557	NA	PeJP	NA	NA
+PJ103588	AALLEMMW 	C44H69N9O11S2	963.4558	NA	PeJP	NA	NA
+PJ103589	SSDKRWW 	C44H61N13O12	963.4563	NA	PeJP	NA	NA
+PJ103590	PLMFFFY 	C52H65N7O9S	963.4565	NA	PeJP	NA	NA
+PJ103591	NNMHHRR 	C37H61N19O10S	963.457	NA	PeJP	NA	NA
+PJ103592	LHHHHHF 	C45H57N17O8	963.4577	NA	PeJP	NA	NA
+PJ103593	SVLKEEEM 	C40H69N9O16S	963.4583	NA	PeJP	NA	NA
+PJ103594	TLLEYYY 	C48H65N7O14	963.459	NA	PeJP	NA	NA
+PJ103595	PVVKEMMM 	C41H73N9O11S3	963.4592	NA	PeJP	NA	NA
+PJ103596	SQKEMRW 	C41H65N13O12S	963.4597	NA	PeJP	NA	NA
+PJ103597	LLMMFFY 	C49H69N7O9S2	963.4599	NA	PeJP	NA	NA
+PJ103598	GTTKWWW 	C49H61N11O10	963.4603	NA	PeJP	NA	NA
+PJ103599	CCDRRRR 	C34H65N19O10S2	963.4604	NA	PeJP	NA	NA
+PJ103600	CKHHHFR 	C42H61N17O8S	963.461	NA	PeJP	NA	NA
+PJ103601	SSTQKEER 	C37H65N13O17	963.4622	NA	PeJP	NA	NA
+PJ103602	LEEMMRR 	C38H69N13O12S2	963.463	NA	PeJP	NA	NA
+PJ103603	AAQKEMMR 	C38H69N13O12S2	963.4631	NA	PeJP	NA	NA
+PJ103604	NNNQRRY 	C38H61N17O13	963.4635	NA	PeJP	NA	NA
+PJ103605	GGGGGGGGPVHR 	C38H61N17O13	963.4636	NA	PeJP	NA	NA
+MJ098830	WWamide 1 	C46H65N11O10S	963.463658	NA	MeJP	NA	NA
+PJ103606	GKKEMWW 	C46H65N11O10S	963.4637	NA	PeJP	NA	NA
+PJ103607	GCMRRRW 	C39H65N17O8S2	963.4644	NA	PeJP	NA	NA
+PJ103608	GSTKKEEW 	C42H65N11O15	963.4662	NA	PeJP	NA	NA
+PJ103609	GSSDMRRR 	C35H65N17O13S	963.4669	NA	PeJP	NA	NA
+PJ103610	VLEMMRW 	C43H69N11O10S2	963.4671	NA	PeJP	NA	NA
+PJ103611	SSSRRWW 	C43H61N15O11	963.4675	NA	PeJP	NA	NA
+PJ103612	GGGEFRRW 	C43H61N15O11	963.4676	NA	PeJP	NA	NA
+PJ103613	PVVMFWW 	C51H65N9O8S	963.4677	NA	PeJP	NA	NA
+PJ103614	SSLLEEMR 	C39H69N11O15S	963.4696	NA	PeJP	NA	NA
+PJ103615	PLKEEYW 	C47H65N9O13	963.4702	NA	PeJP	NA	NA
+PJ103616	SPVLMMMR 	C40H73N11O10S3	963.4704	NA	PeJP	NA	NA
+PJ103617	GAAPKKMMM 	C40H73N11O10S3	963.4705	NA	PeJP	NA	NA
+PJ103618	STQMRRW 	C40H65N15O11S	963.4709	NA	PeJP	NA	NA
+PJ103619	VVLMMWW 	C48H69N9O8S2	963.4711	NA	PeJP	NA	NA
+PJ103620	AAQFRWW 	C48H61N13O9	963.4716	NA	PeJP	NA	NA
+MJ098831	Roseothricin A 	C36H65N15O16	963.473371	NA	MeJP	NA	NA
+PJ103621	SSSDKERR 	C36H65N15O16	963.4734	NA	PeJP	NA	NA
+PJ103622	ATTLLEMW 	C44H69N9O13S	963.4736	NA	PeJP	NA	NA
+PJ103623	PVLFYYY 	C52H65N7O11	963.4742	NA	PeJP	NA	NA
+PJ103624	NKEMMRR 	C37H69N15O11S2	963.4743	NA	PeJP	NA	NA
+PJ103625	GSSQHHRR 	C37H61N19O12	963.4748	NA	PeJP	NA	NA
+PJ103626	GTKMRWW 	C45H65N13O9S	963.4749	NA	PeJP	NA	NA
+PJ103627	SSSSLLLEE 	C40H69N9O18	963.4761	NA	PeJP	NA	NA
+PJ103628	ALLKEEMM 	C41H73N9O13S2	963.477	NA	PeJP	NA	NA
+PJ103629	GSTTKERW 	C41H65N13O14	963.4774	NA	PeJP	NA	NA
+PJ103630	GGGGGVLERY 	C41H65N13O14	963.4775	NA	PeJP	NA	NA
+PJ103631	VLLMYYY 	C49H69N7O11S	963.4776	NA	PeJP	NA	NA
+PJ103632	VNKMMRW 	C42H69N13O9S2	963.4783	NA	PeJP	NA	NA
+PJ103633	SNKHHRW 	C42H61N17O10	963.4788	NA	PeJP	NA	NA
+PJ103634	KKMWWW 	C50H65N11O7S	963.479	NA	PeJP	NA	NA
+PJ103635	GSKKEEMR 	C38H69N13O14S	963.4808	NA	PeJP	NA	NA
+PJ103636	STKKEWW 	C46H65N11O12	963.4814	NA	PeJP	NA	NA
+PJ103637	TTDKKWW 	C46H65N11O12	963.4815	NA	PeJP	NA	NA
+PJ103638	APCKKMMR 	C39H73N13O9S3	963.4817	NA	PeJP	NA	NA
+PJ103639	STCRRRW 	C39H65N17O10S	963.4821	NA	PeJP	NA	NA
+PJ103640	GGPCRRRY 	C39H65N17O10S	963.4822	NA	PeJP	NA	NA
+PJ103641	NFRRWW 	C47H61N15O8	963.4828	NA	PeJP	NA	NA
+PJ103642	SSSSERRR 	C35H65N17O15	963.4846	NA	PeJP	NA	NA
+PJ103643	DKKKEMW 	C43H69N11O12S	963.4848	NA	PeJP	NA	NA
+PJ103644	GGGGGGVLLMF 	C43H69N11O12S	963.4849	NA	PeJP	NA	NA
+PJ103645	SPLLYWW 	C51H65N9O10	963.4855	NA	PeJP	NA	NA
+PJ103646	VVMHHRW 	C44H65N15O8S	963.4862	NA	PeJP	NA	NA
+PJ103647	SSKKKEEE 	C39H69N11O17	963.4873	NA	PeJP	NA	NA
+PJ103648	ATLLEMMR 	C40H73N11O12S2	963.4882	NA	PeJP	NA	NA
+PJ103649	GSTTTRRW 	C40H65N15O13	963.4887	NA	PeJP	NA	NA
+PJ103650	CLKKFYY 	C48H69N9O10S	963.4888	NA	PeJP	NA	NA
+PJ103651	AAPLLMYW 	C48H69N9O10S	963.4889	NA	PeJP	NA	NA
+PJ103652	GKMMRRW 	C41H69N15O8S2	963.4895	NA	PeJP	NA	NA
+PJ103653	LQHHHHR 	C41H61N19O9	963.49	NA	PeJP	NA	NA
+PJ103654	TTTTLLEW 	C44H69N9O15	963.4913	NA	PeJP	NA	NA
+PJ103655	PVVTKEEY 	C44H69N9O15	963.4914	NA	PeJP	NA	NA
+PJ103656	GSTKEMRR 	C37H69N15O13S	963.492	NA	PeJP	NA	NA
+PJ103657	GGGGSSKKMR 	C37H69N15O13S	963.4921	NA	PeJP	NA	NA
+PJ103658	GTLLLMMW 	C45H73N9O10S2	963.4922	NA	PeJP	NA	NA
+PJ103659	STTKRWW 	C45H65N13O11	963.4927	NA	PeJP	NA	NA
+PJ103660	LLMFFFF 	C53H69N7O8S	963.4929	NA	PeJP	NA	NA
+PJ103661	CQKHHRR 	C38H65N19O9S	963.4934	NA	PeJP	NA	NA
+PJ103662	TTLLKEEM 	C41H73N9O15S	963.4947	NA	PeJP	NA	NA
+PJ103663	PTLLKMMM 	C42H77N9O10S3	963.4956	NA	PeJP	NA	NA
+PJ103664	SKKEMRW 	C42H69N13O11S	963.4961	NA	PeJP	NA	NA
+PJ103665	GPKKYWW 	C50H65N11O9	963.4967	NA	PeJP	NA	NA
+PJ103666	SCMRRRR 	C35H69N19O9S2	963.4968	NA	PeJP	NA	NA
+PJ103667	ASTTTTLNR 	C38H69N13O16	963.4985	NA	PeJP	NA	NA
+PJ103668	SSTKKEER 	C38H69N13O16	963.4986	NA	PeJP	NA	NA
+PJ103669	AAKKEMMR 	C39H73N13O11S2	963.4994	NA	PeJP	NA	NA
+PJ103670	GGGGAKKKMM 	C39H73N13O11S2	963.4995	NA	PeJP	NA	NA
+PJ103671	GQERRRY 	C39H65N17O12	963.4999	NA	PeJP	NA	NA
+PJ103672	SVKKMWW 	C47H69N11O9S	963.5001	NA	PeJP	NA	NA
+PJ103673	SSSLKKEW 	C43H69N11O14	963.5026	NA	PeJP	NA	NA
+PJ103674	GSTTMRRR 	C36H69N17O12S	963.5033	NA	PeJP	NA	NA
+PJ103675	LQKKMMW 	C44H73N11O9S2	963.5035	NA	PeJP	NA	NA
+PJ103676	GVQRRYW 	C44H65N15O10	963.5039	NA	PeJP	NA	NA
+PJ103677	GPTTTTKKM 	C40H73N11O14S	963.5059	NA	PeJP	NA	NA
+PJ103678	TTTLLEMR 	C40H73N11O14S	963.506	NA	PeJP	NA	NA
+PJ103679	LLLQEYW 	C48H69N9O12	963.5066	NA	PeJP	NA	NA
+PJ103680	GLLLMMMR 	C41H77N11O9S3	963.5068	NA	PeJP	NA	NA
+PJ103681	STKMRRW 	C41H69N15O10S	963.5073	NA	PeJP	NA	NA
+PJ103682	AAKFRWW 	C49H65N13O8	963.508	NA	PeJP	NA	NA
+PJ103683	SSTTKERR 	C37H69N15O15	963.5098	NA	PeJP	NA	NA
+PJ103684	STTLLLMW 	C45H73N9O12S	963.51	NA	PeJP	NA	NA
+MJ098832	PD 156252 	C53H69N7O10	963.510591	NA	MeJP	NA	NA
+PJ103685	VLLFFYY 	C53H69N7O10	963.5106	NA	PeJP	NA	NA
+PJ103686	DKKMMRR 	C38H73N15O10S2	963.5107	NA	PeJP	NA	NA
+PJ103687	PNEHRRR 	C38H65N19O11	963.5111	NA	PeJP	NA	NA
+PJ103688	GGPEHRRR 	C38H65N19O11	963.5112	NA	PeJP	NA	NA
+PJ103689	PCKKFRW 	C46H69N13O8S	963.5113	NA	PeJP	NA	NA
+PJ103690	SSTTTLLLE 	C41H73N9O17	963.5125	NA	PeJP	NA	NA
+PJ103691	SVVVVVTMM 	C42H77N9O12S2	963.5133	NA	PeJP	NA	NA
+PJ103692	SLLLKEMM 	C42H77N9O12S2	963.5134	NA	PeJP	NA	NA
+PJ103693	SSSTLKRW 	C42H69N13O13	963.5138	NA	PeJP	NA	NA
+PJ103694	GGGGGGAPPPLK 	C42H69N13O13	963.5139	NA	PeJP	NA	NA
+PJ103695	CLKKMRW 	C43H73N13O8S2	963.5147	NA	PeJP	NA	NA
+PJ103696	QRRRYW 	C43H65N17O9	963.5152	NA	PeJP	NA	NA
+PJ103697	ATTKKEMR 	C39H73N13O13S	963.5172	NA	PeJP	NA	NA
+PJ103698	VVLERYW 	C47H69N11O11	963.5178	NA	PeJP	NA	NA
+PJ103699	GGLKKEFW 	C47H69N11O11	963.5179	NA	PeJP	NA	NA
+PJ103700	AQMFRRR 	C40H69N17O9S	963.5185	NA	PeJP	NA	NA
+MJ098833	Phenelfamycin; Phenelfamycin C, O-De-(phenylacetyl) 	C50H77NO17	963.51915	NA	MeJP	NA	NA
+PJ103701	SSTTTRRR 	C36H69N17O14	963.521	NA	PeJP	NA	NA
+PJ103702	GTTLKKMW 	C44H73N11O11S	963.5212	NA	PeJP	NA	NA
+PJ103703	ALLLYWW 	C52H69N9O9	963.5219	NA	PeJP	NA	NA
+PJ103704	TTTKKKEE 	C40H73N11O16	963.5237	NA	PeJP	NA	NA
+PJ103705	STLLLMMR 	C41H77N11O11S2	963.5246	NA	PeJP	NA	NA
+PJ103706	TLQQRRY 	C41H69N15O12	963.525	NA	PeJP	NA	NA
+PJ103707	VNKERRY 	C41H69N15O12	963.5251	NA	PeJP	NA	NA
+PJ103708	AALLLMFW 	C49H73N9O9S	963.5252	NA	PeJP	NA	NA
+PJ103709	GPHRRRW 	C42H65N19O8	963.5264	NA	PeJP	NA	NA
+PJ103710	GLLLKEEY 	C45H73N9O14	963.5277	NA	PeJP	NA	NA
+PJ103711	PPPVVVVEE 	C45H73N9O14	963.5278	NA	PeJP	NA	NA
+PJ103712	SSSLKMRR 	C38H73N15O12S	963.5284	NA	PeJP	NA	NA
+PJ103713	PVVLKMMF 	C46H77N9O9S2	963.5286	NA	PeJP	NA	NA
+PJ103714	SPKKRYW 	C46H69N13O10	963.5291	NA	PeJP	NA	NA
+PJ103715	ACFRRRR 	C39H69N19O8S	963.5298	NA	PeJP	NA	NA
+PJ103716	SSSTLLLLM 	C42H77N9O14S	963.5311	NA	PeJP	NA	NA
+PJ103717	VVLLKMMM 	C43H81N9O9S3	963.532	NA	PeJP	NA	NA
+PJ103718	GSCKKKKW 	C43H73N13O10S	963.5325	NA	PeJP	NA	NA
+PJ103719	GLKKFWW 	C51H69N11O8	963.5331	NA	PeJP	NA	NA
+PJ103720	TTTTKKER 	C39H73N13O15	963.5349	NA	PeJP	NA	NA
+PJ103721	GGASSTTKKK 	C39H73N13O15	963.535	NA	PeJP	NA	NA
+PJ103722	GTLKKMMR 	C40H77N13O10S2	963.5358	NA	PeJP	NA	NA
+PJ103723	GKERRRY 	C40H69N17O11	963.5363	NA	PeJP	NA	NA
+PJ103724	VLLMFRW 	C48H73N11O8S	963.5365	NA	PeJP	NA	NA
+PJ103725	STTTLKKW 	C44H73N11O13	963.539	NA	PeJP	NA	NA
+PJ103726	LKKKMMW 	C45H77N11O8S2	963.5398	NA	PeJP	NA	NA
+PJ103727	GVKRRYW 	C45H69N15O9	963.5403	NA	PeJP	NA	NA
+PJ103728	STLKKKEM 	C41H77N11O13S	963.5423	NA	PeJP	NA	NA
+PJ103729	LLLKEYW 	C49H73N9O11	963.543	NA	PeJP	NA	NA
+PJ103730	VQKMFRR 	C42H73N15O9S	963.5437	NA	PeJP	NA	NA
+PJ103731	TTTTTKRR 	C38H73N15O14	963.5462	NA	PeJP	NA	NA
+PJ103732	SPLLLKMY 	C46H77N9O11S	963.5464	NA	PeJP	NA	NA
+PJ103733	ACCKKKKR 	C39H77N15O9S2	963.5471	NA	PeJP	NA	NA
+PJ103734	GTRRRRY 	C39H69N19O10	963.5475	NA	PeJP	NA	NA
+PJ103735	TTTTTTILL 	C42H77N9O16	963.5488	NA	PeJP	NA	NA
+PJ103736	TTTTTTLLL 	C42H77N9O16	963.5489	NA	PeJP	NA	NA
+PJ103737	LQKKERY 	C43H73N13O12	963.5502	NA	PeJP	NA	NA
+PJ103738	KRRRYW 	C44H69N17O8	963.5515	NA	PeJP	NA	NA
+PJ103739	PPPRRRW 	C44H69N17O8	963.5516	NA	PeJP	NA	NA
+PJ103740	STTLKKMR 	C40H77N13O12S	963.5536	NA	PeJP	NA	NA
+PJ103741	TLLLRYW 	C48H73N11O10	963.5542	NA	PeJP	NA	NA
+PJ103742	AKMFRRR 	C41H73N17O8S	963.5549	NA	PeJP	NA	NA
+PJ103743	GVLLLMRY 	C45H77N11O10S	963.5576	NA	PeJP	NA	NA
+PJ103744	SPHRRRR 	C38H69N21O9	963.5588	NA	PeJP	NA	NA
+PJ103745	SSSTTLLKK 	C41H77N11O15	963.5601	NA	PeJP	NA	NA
+PJ103746	SVLKKKMM 	C42H81N11O10S2	963.561	NA	PeJP	NA	NA
+PJ103747	VDKKRRY 	C42H73N15O11	963.5614	NA	PeJP	NA	NA
+PJ103748	PPPVDKRR 	C42H73N15O11	963.5615	NA	PeJP	NA	NA
+PJ103749	SVLLLKEY 	C46H77N9O13	963.5641	NA	PeJP	NA	NA
+PJ103750	SSCKKKKR 	C39H77N15O11S	963.5648	NA	PeJP	NA	NA
+PJ103751	ALKKRYW 	C47H73N13O9	963.5655	NA	PeJP	NA	NA
+PJ103752	LLLMRRY 	C44H77N13O9S	963.5688	NA	PeJP	NA	NA
+PJ103753	GSSTTKKKK 	C40H77N13O14	963.5713	NA	PeJP	NA	NA
+PJ103754	ACKKKKKM 	C41H81N13O9S2	963.5722	NA	PeJP	NA	NA
+PJ103755	SVKRRRY 	C41H73N17O10	963.5727	NA	PeJP	NA	NA
+PJ103756	SSLLLLRY 	C45H77N11O12	963.5754	NA	PeJP	NA	NA
+PJ103757	PLKKHRW 	C46H73N15O8	963.5767	NA	PeJP	NA	NA
+PJ103758	APLLLKFY 	C50H77N9O10	963.5794	NA	PeJP	NA	NA
+PJ103759	VKKMFRR 	C43H77N15O8S	963.5801	NA	PeJP	NA	NA
+PJ103760	ALLLLKMY 	C47H81N9O10S	963.5828	NA	PeJP	NA	NA
+PJ103761	VLQHRRR 	C40H73N19O9	963.5839	NA	PeJP	NA	NA
+PJ103762	LKKKERY 	C44H77N13O11	963.5866	NA	PeJP	NA	NA
+PJ103763	SSKKKKKM 	C41H81N13O11S	963.59	NA	PeJP	NA	NA
+PJ103764	VLKKKYW 	C49H77N11O9	963.5906	NA	PeJP	NA	NA
+PJ103765	GLLKKKMF 	C46H81N11O9S	963.594	NA	PeJP	NA	NA
+PJ103766	ALHRRRR 	C39H73N21O8	963.5952	NA	PeJP	NA	NA
+PJ103767	TLKKRRY 	C43H77N15O10	963.5978	NA	PeJP	NA	NA
+PJ103768	TTLLLLKY 	C47H81N9O12	963.6005	NA	PeJP	NA	NA
+PJ103769	LLLFFRR 	C48H77N13O8	963.6019	NA	PeJP	NA	NA
+PJ103770	GPPLLRRR 	C42H77N17O9	963.6091	NA	PeJP	NA	NA
+PJ103771	ATLLKKKY 	C46H81N11O11	963.6117	NA	PeJP	NA	NA
+PJ103772	VLLLLKEH 	C46H81N11O11	963.6118	NA	PeJP	NA	NA
+PJ103773	PPLLLLLW 	C51H81N9O9	963.6158	NA	PeJP	NA	NA
+PJ103774	VLKHRRR 	C41H77N19O8	963.6203	NA	PeJP	NA	NA
+PJ103775	AAKKKKKY 	C45H81N13O10	963.623	NA	PeJP	NA	NA
+PJ103776	PPVVLKRR 	C44H81N15O9	963.6342	NA	PeJP	NA	NA
+PJ103777	SPPVLLLLL 	C48H85N9O11	963.6369	NA	PeJP	NA	NA
+PJ103778	GPPVLLLKK 	C47H85N11O10	963.6481	NA	PeJP	NA	NA
+PJ103779	PPLLLKKR 	C46H85N13O9	963.6594	NA	PeJP	NA	NA
+MJ098834	Peptidolipins; Peptidolipin NA 	C50H89N7O11	963.662006	NA	MeJP	NA	NA
+PJ103780	GPLLLLLLL 	C49H89N9O10	963.6733	NA	PeJP	NA	NA
+MJ098835	1-O-(2-Aminoethylphospho)-2,3-bis(5,9,19-hexacosatrienoyl)glycerol, 19,19',20,20'-Tetrahydro 	C57H106NO8P	963.765605	NA	MeJP	NA	NA
+MJ098836	Mallotannin B 	C40H36O28	964.13931	NA	MeJP	NA	NA
+MJ098837	Rhoipteleanin F 	C40H36O28	964.13931	NA	MeJP	NA	NA
+PJ103781	SCCCCCNDD 	C30H48N10O16S5	964.1854	NA	PeJP	NA	NA
+PJ103782	PCCCCCCCQ 	C31H52N10O11S7	964.1862	NA	PeJP	NA	NA
+PJ103783	GAPCCCCCCC 	C31H52N10O11S7	964.1863	NA	PeJP	NA	NA
+PJ103784	GCCCCCNEM 	C31H52N10O13S6	964.204	NA	PeJP	NA	NA
+PJ103785	GCCCCCCDR 	C30H52N12O12S6	964.2152	NA	PeJP	NA	NA
+PJ103786	CCCCCNMW 	C35H52N10O10S6	964.2193	NA	PeJP	NA	NA
+PJ103787	SSCCCCCQE 	C31H52N10O15S5	964.2217	NA	PeJP	NA	NA
+PJ103788	SSCCCCNDM 	C31H52N10O15S5	964.2218	NA	PeJP	NA	NA
+PJ103789	PCCCCCCCK 	C32H56N10O10S7	964.2226	NA	PeJP	NA	NA
+PJ103790	CCCDDDEY 	C35H48N8O18S3	964.2249	NA	PeJP	NA	NA
+PJ103791	CCCDEMMM 	C33H56N8O13S6	964.2291	NA	PeJP	NA	NA
+PJ103792	GSTCCCCCW 	C35H52N10O12S5	964.237	NA	PeJP	NA	NA
+PJ103793	GSSSSCCCCE 	C31H52N10O17S4	964.2395	NA	PeJP	NA	NA
+PJ103794	GSCCCCQMM 	C32H56N10O12S6	964.2404	NA	PeJP	NA	NA
+PJ103795	CCCDDEMF 	C36H52N8O15S4	964.2435	NA	PeJP	NA	NA
+PJ103796	CCCCEMHH 	C34H52N12O11S5	964.2483	NA	PeJP	NA	NA
+FL5FACGL0068	Quercetin 3-(6''''-ferulylsophorotrioside)	C43H48O25	964.24846	167638-66-6	knapsack	NA	NA
+FL5FACGL0075	Quercetin 3-[2'''-(E)-caffeylsophoroside]-7-glucoside	C43H48O25	964.24846	151649-66-0	knapsack	NA	NA
+FL5FACGS0112	Quercetin 3-(6''''-feruloylglucosyl)-(1->2)-galactosyl-(1->2)-glucoside;3-[[O-6-O-[(2E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C43H48O25	964.24846	197294-29-4	knapsack	NA	NA
+FL5FECGS0059	Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside];Quercetagetin 6-methyl ether 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside];3-[[O-D-Apio-beta-D-furanosyl-(1->2)-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one	C43H48O25	964.24846	195206-61-2	knapsack	NA	NA
+MJ098838	3,3',4',5,7-Pentahydroxy-6-methoxyflavone; 3-O-[?-D-Apiofuranosyl-(1?2)-[4-hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C43H48O25	964.248467	NA	MeJP	NA	NA
+MJ098839	3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-sophorotrioside] 	C43H48O25	964.248467	NA	MeJP	NA	NA
+MJ098840	Isoquercitrin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C43H48O25	964.248467	NA	MeJP	NA	NA
+MJ098841	Isoquercitrin; 2''-O-[4-Hydroxy-3-methoxycinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-galactopyranosyl] 	C43H48O25	964.248467	NA	MeJP	NA	NA
+MJ098842	Isoquercitrin; 4',7-Di-O-?-D-glucopyranoside, O''-(4-hydroxy-3-methoxycinnamoyl) 	C43H48O25	964.248467	NA	MeJP	NA	NA
+PJ103797	GSCCCCCMR 	C31H56N12O11S6	964.2516	NA	PeJP	NA	NA
+PJ103798	CCCCCHFF 	C39H52N10O9S5	964.2523	NA	PeJP	NA	NA
+PJ103799	CDDDDDMH 	C34H48N10O19S2	964.2539	NA	PeJP	NA	NA
+PJ103800	SSSSCCCCW 	C35H52N10O14S4	964.2548	NA	PeJP	NA	NA
+PJ103801	SSSSSSCCCD 	C31H52N10O19S3	964.2573	NA	PeJP	NA	NA
+PJ103802	SSSCCCNMM 	C32H56N10O14S5	964.2581	NA	PeJP	NA	NA
+PJ103803	SCCDDEMY 	C36H52N8O17S3	964.2613	NA	PeJP	NA	NA
+PJ103804	PCCCDMMY 	C37H56N8O12S5	964.2622	NA	PeJP	NA	NA
+PJ103805	GSCCNDDDH 	C33H48N12O18S2	964.2651	NA	PeJP	NA	NA
+PJ103806	GGGSCCDDDH 	C33H48N12O18S2	964.2652	NA	PeJP	NA	NA
+PJ103807	SCCEMMMM 	C34H60N8O12S6	964.2655	NA	PeJP	NA	NA
+PJ103808	GPCCCCNEH 	C34H52N12O13S4	964.266	NA	PeJP	NA	NA
+PJ103809	SSTCCCCCR 	C31H56N12O13S5	964.2694	NA	PeJP	NA	NA
+FL5FADGL0032	Isorhamnetin 3-gentiotrioside-7-glucoside	C40H52O27	964.26959	84534-27-0	knapsack	NA	NA
+MJ098843	3-Glucopyranosyloxy-4',5,7-trihydroxy-3'-methoxyflavone; 6''-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C40H52O27	964.269596	NA	MeJP	NA	NA
+PJ103810	GCCCCQYW 	C39H52N10O11S4	964.27	NA	PeJP	NA	NA
+PJ103811	GPCNDDDDD 	C34H48N10O21S	964.2717	NA	PeJP	NA	NA
+PJ103812	GSSCCCNEY 	C35H52N10O16S3	964.2725	NA	PeJP	NA	NA
+PJ103813	CCCNNMMF 	C36H56N10O11S5	964.2734	NA	PeJP	NA	NA
+PJ103814	GCDDDDYY 	C39H48N8O19S	964.2757	NA	PeJP	NA	NA
+PJ103815	GSSSSTCCCM 	C32H56N10O16S4	964.2759	NA	PeJP	NA	NA
+PJ103816	PCCCDDFY 	C40H52N8O14S3	964.2766	NA	PeJP	NA	NA
+PJ103817	GSCCCCKMM 	C33H60N10O11S6	964.2768	NA	PeJP	NA	NA
+C11541	Cobalt-precorrin 5	C45H53CoN4O16	964.2789	NA	KEGG	NA	NA
+PJ103818	GCDDMMMY 	C37H56N8O14S4	964.2799	NA	PeJP	NA	NA
+PJ103819	PCCCMMMF 	C38H60N8O9S6	964.2808	NA	PeJP	NA	NA
+PJ103820	PCCCCNHW 	C38H52N12O10S4	964.2813	NA	PeJP	NA	NA
+PJ103821	CCNNDEMH 	C34H52N12O15S3	964.2838	NA	PeJP	NA	NA
+PJ103822	GCMMMMMM 	C35H64N8O9S7	964.2842	NA	PeJP	NA	NA
+PJ103823	CCCCCQFR 	C35H56N12O10S5	964.2846	NA	PeJP	NA	NA
+PJ103824	SSCCCNYW 	C39H52N10O13S3	964.2878	NA	PeJP	NA	NA
+PJ103825	NNDDDDEE 	C34H48N10O23	964.2894	NA	PeJP	NA	NA
+PJ103826	SSSSCCNDY 	C35H52N10O18S2	964.2903	NA	PeJP	NA	NA
+PJ103827	SCCNNMMY 	C36H56N10O13S4	964.2911	NA	PeJP	NA	NA
+PJ103828	GGSCCNMMY 	C36H56N10O13S4	964.2912	NA	PeJP	NA	NA
+PJ103829	SSSSSSSCCM 	C32H56N10O18S3	964.2936	NA	PeJP	NA	NA
+PJ103830	SPCCDDYY 	C40H52N8O16S2	964.2943	NA	PeJP	NA	NA
+PJ103831	SSTCCCCKM 	C33H60N10O13S5	964.2945	NA	PeJP	NA	NA
+PJ103832	CCCNDDHR 	C33H52N14O14S3	964.295	NA	PeJP	NA	NA
+PJ103833	CCEMMYW 	C41H56N8O11S4	964.2952	NA	PeJP	NA	NA
+PJ103834	PDDDDEEM 	C36H52N8O21S	964.2968	NA	PeJP	NA	NA
+PJ103835	SSCDEMMY 	C37H56N8O16S3	964.2977	NA	PeJP	NA	NA
+PJ103836	SPCCMMMY 	C38H60N8O11S5	964.2985	NA	PeJP	NA	NA
+PJ103837	GCDMMMMF 	C38H60N8O11S5	964.2986	NA	PeJP	NA	NA
+PJ103838	GCCNDMHW 	C38H52N12O12S3	964.299	NA	PeJP	NA	NA
+PJ103839	GSNNNDDDD 	C33H48N12O22	964.3007	NA	PeJP	NA	NA
+PJ103840	GSSCNDDMH 	C34H52N12O17S2	964.3015	NA	PeJP	NA	NA
+PJ103841	STCMMMMM 	C35H64N8O11S6	964.3019	NA	PeJP	NA	NA
+PJ103842	SCCCCQRY 	C35H56N12O12S4	964.3024	NA	PeJP	NA	NA
+PJ103843	GNDDDDEW 	C38H48N10O20	964.3047	NA	PeJP	NA	NA
+PJ103844	GCCNNEYY 	C39H52N10O15S2	964.3055	NA	PeJP	NA	NA
+PJ103845	GGGGGCCEYY 	C39H52N10O15S2	964.3056	NA	PeJP	NA	NA
+PJ103846	GCCCCKYW 	C40H56N10O10S4	964.3064	NA	PeJP	NA	NA
+PJ103847	ASPCNDDDE 	C35H52N10O20S	964.308	NA	PeJP	NA	NA
+PJ103848	GSPNDDDDM 	C35H52N10O20S	964.3081	NA	PeJP	NA	NA
+PJ103849	GSSSCCQMY 	C36H56N10O15S3	964.3089	NA	PeJP	NA	NA
+PJ103850	SCDDDHHH 	C36H48N14O16S	964.3094	NA	PeJP	NA	NA
+PJ103851	CCDEFYW 	C44H52N8O13S2	964.3096	NA	PeJP	NA	NA
+PJ103852	CCCCQKMF 	C37H60N10O10S5	964.3098	NA	PeJP	NA	NA
+PJ103853	PCCCEHHH 	C37H52N14O11S3	964.3103	NA	PeJP	NA	NA
+PJ103854	GSDDDMYY 	C40H52N8O18S	964.3121	NA	PeJP	NA	NA
+PJ103855	SSSCCNNNH 	C33H52N14O16S2	964.3127	NA	PeJP	NA	NA
+PJ103856	GGSSSCCNNH 	C33H52N14O16S2	964.3128	NA	PeJP	NA	NA
+PJ103857	GPCCEMYY 	C41H56N8O13S3	964.3129	NA	PeJP	NA	NA
+PJ103858	GSPCCCCHR 	C34H56N14O11S4	964.3136	NA	PeJP	NA	NA
+PJ103859	CCCQHWW 	C42H52N12O9S3	964.3143	NA	PeJP	NA	NA
+PJ103860	GDEEEEEE 	C36H52N8O23	964.3146	NA	PeJP	NA	NA
+PJ103861	PDDDDDHH 	C37H48N12O19	964.3159	NA	PeJP	NA	NA
+PJ103862	GSDMMMMY 	C38H60N8O13S4	964.3163	NA	PeJP	NA	NA
+PJ103863	SSCCNEHW 	C38H52N12O14S2	964.3168	NA	PeJP	NA	NA
+PJ103864	GCCMMHHF 	C39H56N12O9S4	964.3177	NA	PeJP	NA	NA
+PJ103865	SSSSCNDEH 	C34H52N12O19S	964.3193	NA	PeJP	NA	NA
+PJ103866	NDDDDWW 	C42H48N10O17	964.3199	NA	PeJP	NA	NA
+PJ103867	GSSSCCCRY 	C35H56N12O14S3	964.3201	NA	PeJP	NA	NA
+PJ103868	GPPCCCDDR 	C35H56N12O14S3	964.3202	NA	PeJP	NA	NA
+PJ103869	CCNNYYW 	C43H52N10O12S2	964.3208	NA	PeJP	NA	NA
+PJ103870	CCCCCKFR 	C36H60N12O9S5	964.321	NA	PeJP	NA	NA
+FL5FABGI0026	Epimedin K;Korepimedoside B8-Prenylkaempferol 4'-methyl ether 3-[2''',6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]-7-glucoside;3-[[4-O-Acetyl-6-deoxy-3-O-(2,6-di-O-acetyl-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C45H56O23	964.32123	174286-13-6	knapsack	NA	NA
+FL5FABGI0027	Caohuoside B;8-Prenylkaempferol 4'-methyl ether 3''-[4''',6'''-diacetylglucosyl-(1->3)-4''-acetylrhamnoside]-7-glucoside;3-[[4-O-Acetyl-6-deoxy-3-O-(4,6-di-O-acetyl-beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one	C45H56O23	964.32123	159650-19-8	knapsack	NA	NA
+MJ098844	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[2,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C45H56O23	964.321238	NA	MeJP	NA	NA
+MJ098845	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[3,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C45H56O23	964.321238	NA	MeJP	NA	NA
+MJ098846	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[4,6-di-O-acetyl-?-D-glucopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranoside], 7-O-?-D-glucopyranoside 	C45H56O23	964.321238	NA	MeJP	NA	NA
+PJ103871	SPCNDDEW 	C39H52N10O17S	964.3233	NA	PeJP	NA	NA
+PJ103872	DDMMMHW 	C40H56N10O12S3	964.3242	NA	PeJP	NA	NA
+PJ103873	SNNDEEEE 	C35H52N10O22	964.3258	NA	PeJP	NA	NA
+PJ103874	SSSSSCNMY 	C36H56N10O17S2	964.3267	NA	PeJP	NA	NA
+PJ103875	SCDEYYW 	C44H52N8O15S	964.3273	NA	PeJP	NA	NA
+PJ103876	SCCCQKMY 	C37H60N10O12S4	964.3275	NA	PeJP	NA	NA
+PJ103877	GGPPPTCCCM 	C37H60N10O12S4	964.3276	NA	PeJP	NA	NA
+PJ103878	CCNNNNHF 	C37H52N14O13S2	964.328	NA	PeJP	NA	NA
+PJ103879	PCCMYYW 	C45H56N8O10S3	964.3282	NA	PeJP	NA	NA
+PJ103880	DEEEEEW 	C40H52N8O20	964.3298	NA	PeJP	NA	NA
+PJ103881	CNNNDDDR 	C33H52N14O18S	964.3305	NA	PeJP	NA	NA
+PJ103882	GGGGGGGGGGGSCE 	C33H52N14O18S	964.3306	NA	PeJP	NA	NA
+PJ103883	NDEMMYY 	C41H56N8O15S2	964.3307	NA	PeJP	NA	NA
+PJ103884	SCCNDMHR 	C34H56N14O13S3	964.3314	NA	PeJP	NA	NA
+PJ103885	TCMMMYW 	C42H60N8O10S4	964.3316	NA	PeJP	NA	NA
+PJ103886	GSSCCHWW 	C42H52N12O11S2	964.332	NA	PeJP	NA	NA
+PJ103887	SPDEEEEM 	C37H56N8O20S	964.3332	NA	PeJP	NA	NA
+PJ103888	SSSEMMMY 	C38H60N8O15S3	964.3341	NA	PeJP	NA	NA
+PJ103889	GSSSSCDHW 	C38H52N12O16S	964.3345	NA	PeJP	NA	NA
+PJ103890	GGGGGNDDMW 	C38H52N12O16S	964.3346	NA	PeJP	NA	NA
+PJ103891	QMMMMMY 	C39H64N8O10S5	964.3349	NA	PeJP	NA	NA
+PJ103892	GSCNMMHW 	C39H56N12O11S3	964.3354	NA	PeJP	NA	NA
+PJ103893	SNDDDDER 	C34H52N12O21	964.337	NA	PeJP	NA	NA
+PJ103894	GGSDDDDER 	C34H52N12O21	964.3371	NA	PeJP	NA	NA
+PJ103895	PCNDDDMR 	C35H56N12O16S2	964.3379	NA	PeJP	NA	NA
+PJ103896	GSPCDDWW 	C43H52N10O14S	964.3386	NA	PeJP	NA	NA
+PJ103897	SCCCCKRY 	C36H60N12O11S4	964.3388	NA	PeJP	NA	NA
+PJ103898	SCCNQHHH 	C36H52N16O12S2	964.3392	NA	PeJP	NA	NA
+PJ103899	GGSCCQHHH 	C36H52N16O12S2	964.3393	NA	PeJP	NA	NA
+PJ103900	APPCCCWW 	C44H56N10O9S3	964.3394	NA	PeJP	NA	NA
+PJ103901	GSNDEEEW 	C39H52N10O19	964.3411	NA	PeJP	NA	NA
+PJ103902	GPNDDMMW 	C40H56N10O14S2	964.3419	NA	PeJP	NA	NA
+PJ103903	PPCCMMHF 	C41H60N10O9S4	964.3428	NA	PeJP	NA	NA
+PJ103904	CDMHHHW 	C41H52N14O10S2	964.3433	NA	PeJP	NA	NA
+PJ103905	GSSSSSSTCY 	C36H56N10O19S	964.3444	NA	PeJP	NA	NA
+PJ103906	GGGGAEEEEM 	C36H56N10O19S	964.3445	NA	PeJP	NA	NA
+PJ103907	NDDEFYY 	C44H52N8O17	964.3451	NA	PeJP	NA	NA
+PJ103908	GSSSCCKMY 	C37H60N10O14S3	964.3453	NA	PeJP	NA	NA
+PJ103909	SCNNNNNW 	C37H52N14O15S	964.3458	NA	PeJP	NA	NA
+PJ103910	GDMMYYW 	C45H56N8O12S2	964.3459	NA	PeJP	NA	NA
+PJ103911	GPCCEFFY 	C45H56N8O12S2	964.346	NA	PeJP	NA	NA
+PJ103912	CMMMMRY 	C38H64N10O9S5	964.3462	NA	PeJP	NA	NA
+PJ103913	GTCCCHRW 	C38H56N14O10S3	964.3466	NA	PeJP	NA	NA
+PJ103914	SSSNNNNND 	C33H52N14O20	964.3483	NA	PeJP	NA	NA
+PJ103915	GSSEEMYY 	C41H56N8O17S	964.3484	NA	PeJP	NA	NA
+PJ103916	PPDDDEMF 	C41H56N8O17S	964.3485	NA	PeJP	NA	NA
+PJ103917	GSSSCCEHR 	C34H56N14O15S2	964.3491	NA	PeJP	NA	NA
+PJ103918	GGGSPCCNDR 	C34H56N14O15S2	964.3492	NA	PeJP	NA	NA
+PJ103919	GPTCMMYY 	C42H60N8O12S3	964.3493	NA	PeJP	NA	NA
+PJ103920	CNNNEWW 	C42H52N12O13S	964.3498	NA	PeJP	NA	NA
+PJ103921	GCCQMMHR 	C35H60N14O10S4	964.35	NA	PeJP	NA	NA
+PJ103922	CCCKHWW 	C43H56N12O8S3	964.3507	NA	PeJP	NA	NA
+PJ103923	ATEEEEEE 	C37H56N8O22	964.351	NA	PeJP	NA	NA
+PJ103924	APEEEEMM 	C38H60N8O17S2	964.3518	NA	PeJP	NA	NA
+PJ103925	GSDDDDRW 	C38H52N12O18	964.3523	NA	PeJP	NA	NA
+PJ103926	GTTMMMMY 	C39H64N8O12S4	964.3527	NA	PeJP	NA	NA
+PJ103927	GPCCDERW 	C39H56N12O13S2	964.3532	NA	PeJP	NA	NA
+PJ103928	SSSPCNNQE 	C35H56N12O18S	964.3556	NA	PeJP	NA	NA
+PJ103929	GNDDEEMR 	C35H56N12O18S	964.3557	NA	PeJP	NA	NA
+PJ103930	SNDEEWW 	C43H52N10O16	964.3563	NA	PeJP	NA	NA
+PJ103931	GSPPCCDMR 	C36H60N12O13S3	964.3565	NA	PeJP	NA	NA
+PJ103932	GGGGGGPNMMM 	C36H60N12O13S3	964.3566	NA	PeJP	NA	NA
+PJ103933	GSSSCNHHH 	C36H52N16O14S	964.357	NA	PeJP	NA	NA
+PJ103934	PCNEMWW 	C44H56N10O11S2	964.3572	NA	PeJP	NA	NA
+PJ103935	NQEEEMW 	C40H56N10O16S	964.3597	NA	PeJP	NA	NA
+PJ103936	GDDFYYW 	C48H52N8O14	964.3603	NA	PeJP	NA	NA
+PJ103937	CCNNNNQR 	C33H56N16O14S2	964.3604	NA	PeJP	NA	NA
+PJ103938	CDMMFRY 	C41H60N10O11S3	964.3605	NA	PeJP	NA	NA
+PJ103939	TEMMMHW 	C41H60N10O11S3	964.3606	NA	PeJP	NA	NA
+PJ103940	GPCNDHHW 	C41H52N14O12S	964.361	NA	PeJP	NA	NA
+PJ103941	PCCFFYW 	C49H56N8O9S2	964.3612	NA	PeJP	NA	NA
+PJ103942	GCCCMHRR 	C34H60N16O9S4	964.3613	NA	PeJP	NA	NA
+PJ103943	SSSSSSSSSY 	C36H56N10O21	964.3622	NA	PeJP	NA	NA
+PJ103944	SSSSTCCKY 	C37H60N10O16S2	964.363	NA	PeJP	NA	NA
+PJ103945	STTEEMMH 	C37H60N10O16S2	964.3631	NA	PeJP	NA	NA
+PJ103946	NNNNNNDF 	C37H52N14O17	964.3635	NA	PeJP	NA	NA
+PJ103947	GGGGGGGGNNDF 	C37H52N14O17	964.3636	NA	PeJP	NA	NA
+PJ103948	SSEMYYW 	C45H56N8O14S	964.3637	NA	PeJP	NA	NA
+PJ103949	SCCCKKMY 	C38H64N10O11S4	964.3639	NA	PeJP	NA	NA
+PJ103950	SSSCCHRW 	C38H56N14O12S2	964.3644	NA	PeJP	NA	NA
+PJ103951	GMMMFYW 	C46H60N8O9S3	964.3646	NA	PeJP	NA	NA
+PJ103952	GCNNWWW 	C46H52N12O10S	964.365	NA	PeJP	NA	NA
+PJ103953	GGGCNWWW 	C46H52N12O10S	964.3651	NA	PeJP	NA	NA
+PJ103954	SSSTEEYY 	C41H56N8O19	964.3662	NA	PeJP	NA	NA
+PJ103955	GCDDDERR 	C34H56N14O17S	964.3669	NA	PeJP	NA	NA
+PJ103956	TQEMMYY 	C42H60N8O14S2	964.3671	NA	PeJP	NA	NA
+PJ103957	GSSNNDWW 	C42H52N12O15	964.3675	NA	PeJP	NA	NA
+PJ103958	GGGSSNDWW 	C42H52N12O15	964.3676	NA	PeJP	NA	NA
+PJ103959	MYYYYY 	C50H56N6O12S	964.3677	NA	PeJP	NA	NA
+PJ103960	SSCNMMHR 	C35H60N14O12S3	964.3678	NA	PeJP	NA	NA
+PJ103961	QMMMMFF 	C43H64N8O9S4	964.3679	NA	PeJP	NA	NA
+PJ103962	GAMMMMFF 	C43H64N8O9S4	964.368	NA	PeJP	NA	NA
+PJ103963	PCCDRWW 	C43H56N12O10S2	964.3684	NA	PeJP	NA	NA
+PJ103964	GLEEEEEM 	C38H60N8O19S	964.3696	NA	PeJP	NA	NA
+PJ103965	STTTMMMY 	C39H64N8O14S3	964.3704	NA	PeJP	NA	NA
+PJ103966	PPTEEMMM 	C39H64N8O14S3	964.3705	NA	PeJP	NA	NA
+PJ103967	NDDEMRW 	C39H56N12O15S	964.3709	NA	PeJP	NA	NA
+PJ103968	GGGGGGGGPDMF 	C39H56N12O15S	964.371	NA	PeJP	NA	NA
+PJ103969	KMMMMMY 	C40H68N8O9S5	964.3713	NA	PeJP	NA	NA
+PJ103970	GSDEWWW 	C47H52N10O13	964.3716	NA	PeJP	NA	NA
+PJ103971	PPTCCCRW 	C40H60N12O10S3	964.3718	NA	PeJP	NA	NA
+PJ103972	GCNNHHHF 	C40H52N16O11S	964.3723	NA	PeJP	NA	NA
+PJ103973	GPCMWWW 	C48H56N10O8S2	964.3724	NA	PeJP	NA	NA
+PJ103974	SSNDEEER 	C35H56N12O20	964.3734	NA	PeJP	NA	NA
+PJ103975	SPNDDMMR 	C36H60N12O15S2	964.3743	NA	PeJP	NA	NA
+PJ103976	GNDDDHHR 	C36H52N16O16	964.3748	NA	PeJP	NA	NA
+PJ103977	GQEEMWW 	C44H56N10O13S	964.3749	NA	PeJP	NA	NA
+PJ103978	GGAEEMWW 	C44H56N10O13S	964.375	NA	PeJP	NA	NA
+PJ103979	EMMMMHR 	C37H64N12O10S4	964.3752	NA	PeJP	NA	NA
+PJ103980	SCCNKHHH 	C37H56N16O11S2	964.3756	NA	PeJP	NA	NA
+PJ103981	GSTQEEEW 	C40H56N10O18	964.3774	NA	PeJP	NA	NA
+PJ103982	GGGTTEEEW 	C40H56N10O18	964.3775	NA	PeJP	NA	NA
+PJ103983	GSSCNNNNR 	C33H56N16O16S	964.3781	NA	PeJP	NA	NA
+PJ103984	GGGGGGGSSCNR 	C33H56N16O16S	964.3782	NA	PeJP	NA	NA
+PJ103985	GSPQEMMW 	C41H60N10O13S2	964.3783	NA	PeJP	NA	NA
+PJ103986	NNEEHHW 	C41H52N14O14	964.3788	NA	PeJP	NA	NA
+PJ103987	APCYYYW 	C49H56N8O11S	964.379	NA	PeJP	NA	NA
+PJ103988	VMMMMHW 	C42H64N10O8S4	964.3792	NA	PeJP	NA	NA
+PJ103989	SMMHHHW 	C42H56N14O9S2	964.3796	NA	PeJP	NA	NA
+PJ103990	CCNHFRW 	C42H56N14O9S2	964.3797	NA	PeJP	NA	NA
+PJ103991	GNKEEEEM 	C37H60N10O18S	964.3808	NA	PeJP	NA	NA
+PJ103992	VNDEYYY 	C45H56N8O16	964.3814	NA	PeJP	NA	NA
+PJ103993	PEEEEFW 	C45H56N8O16	964.3815	NA	PeJP	NA	NA
+PJ103994	SSLEMMMH 	C38H64N10O13S3	964.3817	NA	PeJP	NA	NA
+PJ103995	CDDDRRW 	C38H56N14O14S	964.3822	NA	PeJP	NA	NA
+PJ103996	ATMMYYW 	C46H60N8O11S2	964.3823	NA	PeJP	NA	NA
+PJ103997	AAMMMHHH 	C39H60N14O9S3	964.383	NA	PeJP	NA	NA
+PJ103998	GTCHHHHH 	C39H52N18O10S	964.3835	NA	PeJP	NA	NA
+PJ103999	SSSSNNNQQ 	C34H56N14O19	964.3846	NA	PeJP	NA	NA
+PJ104000	SSDDDDRR 	C34H56N14O19	964.3847	NA	PeJP	NA	NA
+PJ104001	LEEEEMW 	C42H60N8O16S	964.3848	NA	PeJP	NA	NA
+PJ104002	SPCCDERR 	C35H60N14O14S2	964.3855	NA	PeJP	NA	NA
+PJ104003	GGGGGGGEMMR 	C35H60N14O14S2	964.3856	NA	PeJP	NA	NA
+PJ104004	VQMMMYY 	C43H64N8O11S3	964.3857	NA	PeJP	NA	NA
+PJ104005	GDDMRWW 	C43H56N12O12S	964.3862	NA	PeJP	NA	NA
+PJ104006	PPCCCMRR 	C36H64N14O9S4	964.3864	NA	PeJP	NA	NA
+PJ104007	SDWWWW 	C51H52N10O10	964.3868	NA	PeJP	NA	NA
+PJ104008	STLEEEEE 	C38H60N8O21	964.3873	NA	PeJP	NA	NA
+PJ104009	SPLEEEMM 	C39H64N8O16S2	964.3882	NA	PeJP	NA	NA
+PJ104010	GSSDEERW 	C39H56N12O17	964.3887	NA	PeJP	NA	NA
+PJ104011	PPVEMMMM 	C40H68N8O11S4	964.3891	NA	PeJP	NA	NA
+PJ104012	SSSCKMHW 	C40H60N12O12S2	964.3895	NA	PeJP	NA	NA
+PJ104013	GSPCEMRW 	C40H60N12O12S2	964.3896	NA	PeJP	NA	NA
+PJ104014	GSNNNHHW 	C40H52N16O13	964.39	NA	PeJP	NA	NA
+PJ104015	QEMWWW 	C48H56N10O10S	964.3902	NA	PeJP	NA	NA
+PJ104016	SSSSSDKMH 	C36H60N12O17S	964.392	NA	PeJP	NA	NA
+PJ104017	GSQEEEMR 	C36H60N12O17S	964.3921	NA	PeJP	NA	NA
+PJ104018	STQEEWW 	C44H56N10O15	964.3927	NA	PeJP	NA	NA
+PJ104019	GPNEMMMR 	C37H64N12O12S3	964.3929	NA	PeJP	NA	NA
+PJ104020	SPCNDHHR 	C37H56N16O13S	964.3934	NA	PeJP	NA	NA
+PJ104021	SPQMMWW 	C45H60N10O10S2	964.3936	NA	PeJP	NA	NA
+PJ104022	GNEHHWW 	C45H52N14O11	964.394	NA	PeJP	NA	NA
+MJ098847	Trillenogenin; 24-Epimer, 1-O-[2,3,4-tri-O-acetyl-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside], 3,21-di-Ac 	C47H64O21	964.394009	NA	MeJP	NA	NA
+PJ104023	GGGEHHWW 	C45H52N14O11	964.3941	NA	PeJP	NA	NA
+PJ104024	NKEEEMW 	C41H60N10O15S	964.3961	NA	PeJP	NA	NA
+PJ104025	AAEYYYW 	C49H56N8O13	964.3967	NA	PeJP	NA	NA
+PJ104026	GCNNDMRR 	C34H60N16O13S2	964.3968	NA	PeJP	NA	NA
+PJ104027	AAPQMMMW 	C42H64N10O10S3	964.3969	NA	PeJP	NA	NA
+PJ104028	GGGPVMMMW 	C42H64N10O10S3	964.397	NA	PeJP	NA	NA
+PJ104029	SCNNRWW 	C42H56N14O11S	964.3974	NA	PeJP	NA	NA
+PJ104030	GMMFFFW 	C50H60N8O8S2	964.3976	NA	PeJP	NA	NA
+PJ104031	SSQKEEEE 	C37H60N10O20	964.3986	NA	PeJP	NA	NA
+PJ104032	SPNKEEMM 	C38H64N10O15S2	964.3994	NA	PeJP	NA	NA
+PJ104033	GGSPKEEMM 	C38H64N10O15S2	964.3995	NA	PeJP	NA	NA
+PJ104034	SSSNNDRW 	C38H56N14O16	964.3999	NA	PeJP	NA	NA
+PJ104035	GGGGGGGGGGGGVY 	C38H56N14O16	964.4	NA	PeJP	NA	NA
+PJ104036	TTTMYYW 	C46H60N8O13S	964.4001	NA	PeJP	NA	NA
+PJ104037	ATLMMMMH 	C39H68N10O10S4	964.4003	NA	PeJP	NA	NA
+PJ104038	FFYYYY 	C54H56N6O11	964.4007	NA	PeJP	NA	NA
+PJ104039	NNNMMRW 	C39H60N14O11S2	964.4008	NA	PeJP	NA	NA
+PJ104040	SSSHHHHH 	C39H52N18O12	964.4013	NA	PeJP	NA	NA
+PJ104041	CERWWW 	C47H56N12O9S	964.4014	NA	PeJP	NA	NA
+PJ104042	STTTTEYY 	C42H60N8O18	964.4026	NA	PeJP	NA	NA
+PJ104043	GSDDEMRR 	C35H60N14O16S	964.4033	NA	PeJP	NA	NA
+PJ104044	TKEMMYY 	C43H64N8O13S2	964.4035	NA	PeJP	NA	NA
+PJ104045	SSDERWW 	C43H56N12O14	964.4039	NA	PeJP	NA	NA
+PJ104046	GGGGGAQEFW 	C43H56N12O14	964.404	NA	PeJP	NA	NA
+PJ104047	GPCDMMRR 	C36H64N14O11S3	964.4042	NA	PeJP	NA	NA
+PJ104048	KMMMMFF 	C44H68N8O8S4	964.4043	NA	PeJP	NA	NA
+PJ104049	GCNNQHHR 	C36H56N18O12S	964.4046	NA	PeJP	NA	NA
+PJ104050	GGGGGGACHHR 	C36H56N18O12S	964.4047	NA	PeJP	NA	NA
+PJ104051	SPCMRWW 	C44H60N12O9S2	964.4048	NA	PeJP	NA	NA
+PJ104052	PDHHHHW 	C44H52N16O10	964.4053	NA	PeJP	NA	NA
+PJ104053	AMWWWW 	C52H56N10O7S	964.4055	NA	PeJP	NA	NA
+PJ104054	SVLEEEEM 	C39H64N8O18S	964.406	NA	PeJP	NA	NA
+PJ104055	PVVEEMMM 	C40H68N8O13S3	964.4068	NA	PeJP	NA	NA
+PJ104056	SQEEMRW 	C40H60N12O14S	964.4073	NA	PeJP	NA	NA
+PJ104057	DRYYYW 	C48H56N10O12	964.4079	NA	PeJP	NA	NA
+PJ104058	GTTEWWW 	C48H56N10O12	964.408	NA	PeJP	NA	NA
+PJ104059	PNMMMRW 	C41H64N12O9S3	964.4082	NA	PeJP	NA	NA
+PJ104060	CEHHHFR 	C41H56N16O10S	964.4087	NA	PeJP	NA	NA
+PJ104061	NHHWWW 	C49H52N14O8	964.4093	NA	PeJP	NA	NA
+PJ104062	SSTQEEER 	C36H60N12O19	964.4098	NA	PeJP	NA	NA
+PJ104063	AAQEEMMR 	C37H64N12O14S2	964.4107	NA	PeJP	NA	NA
+PJ104064	GNNNNNRY 	C37H56N16O15	964.4111	NA	PeJP	NA	NA
+PJ104065	GGGGGNNNRY 	C37H56N16O15	964.4112	NA	PeJP	NA	NA
+PJ104066	GKEEMWW 	C45H60N10O12S	964.4113	NA	PeJP	NA	NA
+PJ104067	PPCCKMMR 	C38H68N12O9S4	964.4116	NA	PeJP	NA	NA
+PJ104068	TFYYWW 	C53H56N8O10	964.412	NA	PeJP	NA	NA
+PJ104069	AMHHHFW 	C46H56N14O8S	964.4127	NA	PeJP	NA	NA
+PJ104070	GSTKEEEW 	C41H60N10O17	964.4138	NA	PeJP	NA	NA
+PJ104071	GGGGALEEEF 	C41H60N10O17	964.4139	NA	PeJP	NA	NA
+PJ104072	SSCNNERR 	C34H60N16O15S	964.4145	NA	PeJP	NA	NA
+PJ104073	GSPKEMMW 	C42H64N10O12S2	964.4147	NA	PeJP	NA	NA
+PJ104074	NNNDFRW 	C42H56N14O13	964.4152	NA	PeJP	NA	NA
+PJ104075	GVMFYYW 	C50H60N8O10S	964.4153	NA	PeJP	NA	NA
+PJ104076	GGPMFFFY 	C50H60N8O10S	964.4154	NA	PeJP	NA	NA
+PJ104077	NHHHHHF 	C43H52N18O9	964.4165	NA	PeJP	NA	NA
+PJ104078	GDKKEEEM 	C38H64N10O17S	964.4172	NA	PeJP	NA	NA
+PJ104079	AKEEYYY 	C46H60N8O15	964.4178	NA	PeJP	NA	NA
+PJ104080	PLEEEYW 	C46H60N8O15	964.4179	NA	PeJP	NA	NA
+PJ104081	TTTLMMMH 	C39H68N10O12S3	964.4181	NA	PeJP	NA	NA
+PJ104082	SDDMRRW 	C39H60N14O13S	964.4185	NA	PeJP	NA	NA
+PJ104083	GGGGGSTMRW 	C39H60N14O13S	964.4186	NA	PeJP	NA	NA
+PJ104084	VQMMFFY 	C47H64N8O10S2	964.4187	NA	PeJP	NA	NA
+PJ104085	GNQQFWW 	C47H56N12O11	964.4192	NA	PeJP	NA	NA
+PJ104086	SSSDEERR 	C35H60N14O18	964.421	NA	PeJP	NA	NA
+PJ104087	GGGGGSSTTER 	C35H60N14O18	964.4211	NA	PeJP	NA	NA
+PJ104088	SSTTLMYY 	C43H64N8O15S	964.4212	NA	PeJP	NA	NA
+PJ104089	NEEMMRR 	C36H64N14O13S2	964.4219	NA	PeJP	NA	NA
+PJ104090	VKMMMYY 	C44H68N8O10S3	964.4221	NA	PeJP	NA	NA
+PJ104091	SSNNNHHR 	C36H56N18O14	964.4224	NA	PeJP	NA	NA
+PJ104092	SNNKMWW 	C44H60N12O11S	964.4225	NA	PeJP	NA	NA
+PJ104093	GTEMRWW 	C44H60N12O11S	964.4226	NA	PeJP	NA	NA
+PJ104094	TTWWWW 	C52H56N10O9	964.4232	NA	PeJP	NA	NA
+PJ104095	GPCCHHRR 	C37H60N18O9S2	964.4233	NA	PeJP	NA	NA
+PJ104096	ALLEEEMM 	C40H68N8O15S2	964.4246	NA	PeJP	NA	NA
+PJ104097	SSTNNKEW 	C40H60N12O16	964.425	NA	PeJP	NA	NA
+PJ104098	GSTTEERW 	C40H60N12O16	964.4251	NA	PeJP	NA	NA
+PJ104099	VNEMMRW 	C41H64N12O11S2	964.4259	NA	PeJP	NA	NA
+PJ104100	GGGGAAKMMW 	C41H64N12O11S2	964.426	NA	PeJP	NA	NA
+PJ104101	SNEHHRW 	C41H56N16O12	964.4264	NA	PeJP	NA	NA
+PJ104102	KEMWWW 	C49H60N10O9S	964.4266	NA	PeJP	NA	NA
+PJ104103	GSKEEEMR 	C37H64N12O16S	964.4284	NA	PeJP	NA	NA
+PJ104104	GGGGSDKKEM 	C37H64N12O16S	964.4285	NA	PeJP	NA	NA
+PJ104105	STKEEWW 	C45H60N10O14	964.4291	NA	PeJP	NA	NA
+PJ104106	GPDKMMMR 	C38H68N12O11S3	964.4293	NA	PeJP	NA	NA
+PJ104107	GSSCNRRW 	C38H60N16O12S	964.4298	NA	PeJP	NA	NA
+PJ104108	ALQMMWW 	C46H64N10O9S2	964.4299	NA	PeJP	NA	NA
+PJ104109	SPKMMWW 	C46H64N10O9S2	964.43	NA	PeJP	NA	NA
+PJ104110	GDKHHWW 	C46H56N14O10	964.4304	NA	PeJP	NA	NA
+PJ104111	GSSSSNDRR 	C34H60N16O17	964.4323	NA	PeJP	NA	NA
+PJ104112	ATTLNEMW 	C42H64N10O14S	964.4324	NA	PeJP	NA	NA
+PJ104113	DKKEEMW 	C42H64N10O14S	964.4325	NA	PeJP	NA	NA
+PJ104114	GTLYYYW 	C50H60N8O12	964.4331	NA	PeJP	NA	NA
+PJ104115	CDEMRRR 	C35H64N16O12S2	964.4332	NA	PeJP	NA	NA
+PJ104116	AAPKMMMW 	C43H68N10O9S3	964.4333	NA	PeJP	NA	NA
+PJ104117	VQQMHHW 	C43H60N14O10S	964.4338	NA	PeJP	NA	NA
+PJ104118	GPPHWWW 	C51H56N12O8	964.4345	NA	PeJP	NA	NA
+PJ104119	SSSPTTKEE 	C38H64N10O19	964.4349	NA	PeJP	NA	NA
+PJ104120	SSKKEEEE 	C38H64N10O19	964.435	NA	PeJP	NA	NA
+PJ104121	GLQKEEMM 	C39H68N10O14S2	964.4358	NA	PeJP	NA	NA
+PJ104122	SSSSQQRW 	C39H60N14O15	964.4363	NA	PeJP	NA	NA
+PJ104123	PTKMYYY 	C47H64N8O12S	964.4365	NA	PeJP	NA	NA
+PJ104124	PPCKKMMM 	C40H72N10O9S4	964.4367	NA	PeJP	NA	NA
+PJ104125	GEMMRRW 	C40H64N14O10S2	964.4372	NA	PeJP	NA	NA
+PJ104126	AAQQHHHH 	C40H56N18O11	964.4376	NA	PeJP	NA	NA
+PJ104127	GGGVQHHHH 	C40H56N18O11	964.4377	NA	PeJP	NA	NA
+PJ104128	TMRWWW 	C48H60N12O8S	964.4378	NA	PeJP	NA	NA
+PJ104129	SPVLEEEY 	C43H64N8O17	964.439	NA	PeJP	NA	NA
+PJ104130	GSTEEMRR 	C36H64N14O15S	964.4397	NA	PeJP	NA	NA
+PJ104131	PPVVEMMY 	C44H68N8O12S2	964.4399	NA	PeJP	NA	NA
+PJ104132	STTERWW 	C44H60N12O13	964.4403	NA	PeJP	NA	NA
+PJ104133	GGGGGGGGPVFF 	C44H60N12O13	964.4404	NA	PeJP	NA	NA
+PJ104134	GSPMMMRR 	C37H68N14O10S3	964.4405	NA	PeJP	NA	NA
+PJ104135	GAPCCCKKR 	C37H68N14O10S3	964.4406	NA	PeJP	NA	NA
+PJ104136	NDMHHRR 	C37H60N18O11S	964.441	NA	PeJP	NA	NA
+PJ104137	GVMMRWW 	C45H64N12O8S2	964.4412	NA	PeJP	NA	NA
+PJ104138	GSHHRWW 	C45H56N16O9	964.4417	NA	PeJP	NA	NA
+PJ104139	TTLLEEEM 	C40H68N8O17S	964.4424	NA	PeJP	NA	NA
+PJ104140	PTLLEMMM 	C41H72N8O12S3	964.4432	NA	PeJP	NA	NA
+PJ104141	SKEEMRW 	C41H64N12O13S	964.4437	NA	PeJP	NA	NA
+PJ104142	SSTLWWW 	C49H60N10O11	964.4443	NA	PeJP	NA	NA
+PJ104143	GGALEFWW 	C49H60N10O11	964.4444	NA	PeJP	NA	NA
+PJ104144	LMMMHFR 	C42H68N12O8S3	964.4446	NA	PeJP	NA	NA
+PJ104145	AQMHHRW 	C42H60N16O9S	964.445	NA	PeJP	NA	NA
+PJ104146	SSTKEEER 	C37H64N12O18	964.4462	NA	PeJP	NA	NA
+PJ104147	AAKEEMMR 	C38H68N12O13S2	964.4471	NA	PeJP	NA	NA
+PJ104148	NNNERRY 	C38H60N16O14	964.4475	NA	PeJP	NA	NA
+PJ104149	GGGGGGERRY 	C38H60N16O14	964.4476	NA	PeJP	NA	NA
+PJ104150	SVKEMWW 	C46H64N10O11S	964.4477	NA	PeJP	NA	NA
+PJ104151	GVFFFYW 	C54H60N8O9	964.4484	NA	PeJP	NA	NA
+PJ104152	NQHHHHR 	C39H56N20O10	964.4489	NA	PeJP	NA	NA
+PJ104153	SSSLKEEW 	C42H64N10O16	964.4502	NA	PeJP	NA	NA
+PJ104154	SSSNQMRR 	C35H64N16O14S	964.4509	NA	PeJP	NA	NA
+PJ104155	LQKEMMW 	C43H68N10O11S2	964.4511	NA	PeJP	NA	NA
+PJ104156	GQQQRYW 	C43H60N14O12	964.4515	NA	PeJP	NA	NA
+PJ104157	GGAQQRYW 	C43H60N14O12	964.4516	NA	PeJP	NA	NA
+PJ104158	VQMFFFF 	C51H64N8O9S	964.4517	NA	PeJP	NA	NA
+PJ104159	MMRRWW 	C44H64N14O7S2	964.4524	NA	PeJP	NA	NA
+PJ104160	ATKKEEEM 	C39H68N10O16S	964.4536	NA	PeJP	NA	NA
+PJ104161	LLEEEFW 	C47H64N8O14	964.4542	NA	PeJP	NA	NA
+PJ104162	APKKEMMM 	C40H72N10O11S3	964.4545	NA	PeJP	NA	NA
+PJ104163	STEMRRW 	C40H64N14O12S	964.4549	NA	PeJP	NA	NA
+PJ104164	GGGGGGGLMFR 	C40H64N14O12S	964.455	NA	PeJP	NA	NA
+PJ104165	VKMMFFY 	C48H68N8O9S2	964.4551	NA	PeJP	NA	NA
+PJ104166	GPTRYWW 	C48H60N12O10	964.4556	NA	PeJP	NA	NA
+PJ104167	ACHHRRW 	C41H60N18O8S	964.4563	NA	PeJP	NA	NA
+PJ104168	SSTTEERR 	C36H64N14O17	964.4574	NA	PeJP	NA	NA
+PJ104169	APLLEEMY 	C44H68N8O14S	964.4576	NA	PeJP	NA	NA
+PJ104170	DKEMMRR 	C37H68N14O12S2	964.4583	NA	PeJP	NA	NA
+PJ104171	PPVLMMMF 	C45H72N8O9S3	964.4585	NA	PeJP	NA	NA
+PJ104172	GSSEHHRR 	C37H60N18O13	964.4588	NA	PeJP	NA	NA
+PJ104173	SSLMRWW 	C45H64N12O10S	964.4589	NA	PeJP	NA	NA
+PJ104174	GGTCKKWW 	C45H64N12O10S	964.459	NA	PeJP	NA	NA
+PJ104175	PKYWWW 	C53H60N10O8	964.4596	NA	PeJP	NA	NA
+PJ104176	SLLLEEMM 	C41H72N8O14S2	964.461	NA	PeJP	NA	NA
+PJ104177	SSSTLERW 	C41H64N12O15	964.4614	NA	PeJP	NA	NA
+PJ104178	GGGSSSSLKW 	C41H64N12O15	964.4615	NA	PeJP	NA	NA
+PJ104179	PVLLMMMM 	C42H76N8O9S4	964.4619	NA	PeJP	NA	NA
+2649	synthetic fr, of human beta-CN (190-197) ACE inhibitor	NPPHQIYP	964.4619	NA	Inhouse_peptide	NA	peptide
+PJ104180	SSSCNRRR 	C34H64N18O13S	964.4621	NA	PeJP	NA	NA
+PJ104181	VDKMMRW 	C42H68N12O10S2	964.4623	NA	PeJP	NA	NA
+PJ104182	GNNRRYW 	C42H60N16O11	964.4628	NA	PeJP	NA	NA
+PJ104183	APKMFWW 	C50H64N10O8S	964.463	NA	PeJP	NA	NA
+PJ104184	ATTKEEMR 	C38H68N12O15S	964.4648	NA	PeJP	NA	NA
+PJ104185	SSSSLLWW 	C46H64N10O13	964.4655	NA	PeJP	NA	NA
+PJ104186	APTKMMMR 	C39H72N12O10S3	964.4657	NA	PeJP	NA	NA
+PJ104187	CQQQFRR 	C39H64N16O11S	964.4661	NA	PeJP	NA	NA
+PJ104188	PCDRRRY 	C39H64N16O11S	964.4662	NA	PeJP	NA	NA
+PJ104189	ALKMMWW 	C47H68N10O8S2	964.4663	NA	PeJP	NA	NA
+PJ104190	DFRRWW 	C47H60N14O9	964.4668	NA	PeJP	NA	NA
+PJ104191	ASSSSSQRR 	C35H64N16O16	964.4686	NA	PeJP	NA	NA
+PJ104192	GSSSSTQRR 	C35H64N16O16	964.4687	NA	PeJP	NA	NA
+PJ104193	GTTLKEMW 	C43H68N10O13S	964.4688	NA	PeJP	NA	NA
+PJ104194	GGGGPTLLMY 	C43H68N10O13S	964.4689	NA	PeJP	NA	NA
+PJ104195	PTKFFYY 	C51H64N8O11	964.4695	NA	PeJP	NA	NA
+PJ104196	GPMRRYW 	C44H64N14O9S	964.4702	NA	PeJP	NA	NA
+PJ104197	TTTKKEEE 	C39H68N10O18	964.4713	NA	PeJP	NA	NA
+PJ104198	GLKKEEMM 	C40H72N10O13S2	964.4722	NA	PeJP	NA	NA
+PJ104199	SSSSQKRW 	C40H64N14O14	964.4727	NA	PeJP	NA	NA
+PJ104200	VVKMYYY 	C48H68N8O11S	964.4728	NA	PeJP	NA	NA
+PJ104201	CLLKYYY 	C48H68N8O11S	964.4729	NA	PeJP	NA	NA
+PJ104202	SVMMRRW 	C41H68N14O9S2	964.4736	NA	PeJP	NA	NA
+PJ104203	SSHHRRW 	C41H60N18O10	964.474	NA	PeJP	NA	NA
+PJ104204	GLLLEEEY 	C44H68N8O16	964.4754	NA	PeJP	NA	NA
+PJ104205	ATTTEMRR 	C37H68N14O14S	964.476	NA	PeJP	NA	NA
+PJ104206	SSSLEMRR 	C37H68N14O14S	964.4761	NA	PeJP	NA	NA
+PJ104207	PPTLLMMY 	C45H72N8O11S2	964.4762	NA	PeJP	NA	NA
+PJ104208	GSSSKKWW 	C45H64N12O12	964.4767	NA	PeJP	NA	NA
+PJ104209	LQMMMRR 	C38H72N14O9S3	964.4769	NA	PeJP	NA	NA
+PJ104210	CNNFRRR 	C38H64N18O10S	964.4774	NA	PeJP	NA	NA
+PJ104211	VLHHHHW 	C46H60N16O8	964.4781	NA	PeJP	NA	NA
+PJ104212	VVLLEMMM 	C42H76N8O11S3	964.4796	NA	PeJP	NA	NA
+PJ104213	GTTTLMRW 	C42H68N12O12S	964.4801	NA	PeJP	NA	NA
+PJ104214	SPVKYWW 	C50H64N10O10	964.4807	NA	PeJP	NA	NA
+PJ104215	GSCCKRRR 	C35H68N18O10S2	964.4808	NA	PeJP	NA	NA
+PJ104216	AKMHHRW 	C43H64N16O8S	964.4814	NA	PeJP	NA	NA
+PJ104217	TTTTKEER 	C38H68N12O17	964.4826	NA	PeJP	NA	NA
+PJ104218	PTTTKMMR 	C39H72N12O12S2	964.4834	NA	PeJP	NA	NA
+PJ104219	GTLKEMMR 	C39H72N12O12S2	964.4835	NA	PeJP	NA	NA
+PJ104220	GEERRRY 	C39H64N16O13	964.4839	NA	PeJP	NA	NA
+PJ104221	GGGGGGGGPKKH 	C39H64N16O13	964.484	NA	PeJP	NA	NA
+PJ104222	TTLKMWW 	C47H68N10O10S	964.4841	NA	PeJP	NA	NA
+PJ104223	PCMFRRR 	C40H68N16O8S2	964.4848	NA	PeJP	NA	NA
+PJ104224	NKHHHHR 	C40H60N20O9	964.4853	NA	PeJP	NA	NA
+PJ104225	STTTLKEW 	C43H68N10O15	964.4866	NA	PeJP	NA	NA
+PJ104226	SSSNKMRR 	C36H68N16O13S	964.4873	NA	PeJP	NA	NA
+PJ104227	LKKEMMW 	C44H72N10O10S2	964.4875	NA	PeJP	NA	NA
+PJ104228	GVERRYW 	C44H64N14O11	964.4879	NA	PeJP	NA	NA
+MJ098848	Pregn-5-ene-3,14,20-triol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-galactopyranoside], 20-O-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C46H76O21	964.487909	NA	MeJP	NA	NA
+PJ104229	GAPLEHRW 	C44H64N14O11	964.488	NA	PeJP	NA	NA
+PJ104230	VKMFFFF 	C52H68N8O8S	964.4881	NA	PeJP	NA	NA
+PJ104231	CLMMRRR 	C37H72N16O8S3	964.4882	NA	PeJP	NA	NA
+PJ104232	TCHHRRR 	C37H64N20O9S	964.4886	NA	PeJP	NA	NA
+PJ104233	STLKKEEM 	C40H72N10O15S	964.49	NA	PeJP	NA	NA
+PJ104234	LLLEEYW 	C48H68N8O13	964.4906	NA	PeJP	NA	NA
+PJ104235	SPLKKMMM 	C41H76N10O10S3	964.4908	NA	PeJP	NA	NA
+PJ104236	AAAVLKMMM 	C41H76N10O10S3	964.4909	NA	PeJP	NA	NA
+PJ104237	GSTCKKRW 	C41H68N14O11S	964.4913	NA	PeJP	NA	NA
+PJ104238	AALRYWW 	C49H64N12O9	964.492	NA	PeJP	NA	NA
+PJ104239	TTTTTERR 	C37H68N14O16	964.4938	NA	PeJP	NA	NA
+PJ104240	SPLLLEMY 	C45H72N8O13S	964.494	NA	PeJP	NA	NA
+PJ104241	GTTLMMRR 	C38H72N14O11S2	964.4947	NA	PeJP	NA	NA
+PJ104242	SNNRRRY 	C38H64N18O12	964.4951	NA	PeJP	NA	NA
+PJ104243	GGSNRRRY 	C38H64N18O12	964.4952	NA	PeJP	NA	NA
+PJ104244	SCKKKWW 	C46H68N12O9S	964.4953	NA	PeJP	NA	NA
+PJ104245	LKFWWW 	C54H64N10O7	964.496	NA	PeJP	NA	NA
+PJ104246	STTTTLRW 	C42H68N12O14	964.4978	NA	PeJP	NA	NA
+PJ104247	GGGGGLKKEY 	C42H68N12O14	964.4979	NA	PeJP	NA	NA
+PJ104248	TLKMMRW 	C43H72N12O9S2	964.4987	NA	PeJP	NA	NA
+PJ104249	ERRRYW 	C43H64N16O10	964.4992	NA	PeJP	NA	NA
+PJ104250	STTLKEMR 	C39H72N12O14S	964.5012	NA	PeJP	NA	NA
+PJ104251	VLQKEYW 	C47H68N10O12	964.5018	NA	PeJP	NA	NA
+PJ104252	LLNKEYW 	C47H68N10O12	964.5019	NA	PeJP	NA	NA
+PJ104253	GVLKMMMR 	C40H76N12O9S3	964.5021	NA	PeJP	NA	NA
+PJ104254	SPMRRRY 	C40H68N16O10S	964.5025	NA	PeJP	NA	NA
+PJ104255	AEMFRRR 	C40H68N16O10S	964.5026	NA	PeJP	NA	NA
+MJ098849	Tryptophyllin L 5.1 	C48H64N14O8	964.503155	NA	MeJP	NA	NA
+PJ104256	VRRYWW 	C48H64N14O8	964.5032	NA	PeJP	NA	NA
+PJ104257	GSSSSTKRR 	C36H68N16O15	964.505	NA	PeJP	NA	NA
+PJ104258	SSTLLKMW 	C44H72N10O12S	964.5052	NA	PeJP	NA	NA
+PJ104259	VVKFFYY 	C52H68N8O10	964.5059	NA	PeJP	NA	NA
+PJ104260	GLMFRRW 	C45H68N14O8S	964.5066	NA	PeJP	NA	NA
+PJ104261	SSSTTLLKE 	C40H72N10O17	964.5077	NA	PeJP	NA	NA
+HMDB09937	PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09938	PIP(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09945	PIP(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09967	PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09968	PIP(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09980	PIP(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09981	PIP(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09991	PIP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB09992	PIP(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10009	PIP(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10014	PIP(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10017	PIP(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10018	PIP(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10021	PIP(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10022	PIP(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10024	PIP(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10029	PIP(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+HMDB10030	PIP(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	C47H82O16P2	964.507812	NA	HMDB2010	NA	NA
+PJ104262	SVLKKEMM 	C41H76N10O12S2	964.5086	NA	PeJP	NA	NA
+PJ104263	SSSSKKRW 	C41H68N14O13	964.5091	NA	PeJP	NA	NA
+PJ104264	PPVVLMFY 	C49H72N8O10S	964.5093	NA	PeJP	NA	NA
+PJ104265	PKMMFRR 	C42H72N14O8S2	964.5099	NA	PeJP	NA	NA
+PJ104266	VNHHFRR 	C42H64N18O9	964.5104	NA	PeJP	NA	NA
+MJ098850	Plumbomycin B 	C46H78NO20	964.511718	NA	MeJP	NA	NA
+PJ104267	SVLLLEEY 	C45H72N8O15	964.5118	NA	PeJP	NA	NA
+PJ104268	STTTLMRR 	C38H72N14O13S	964.5124	NA	PeJP	NA	NA
+PJ104269	PVVLLMMY 	C46H76N8O10S2	964.5126	NA	PeJP	NA	NA
+PJ104270	ALKERYW 	C46H68N12O11	964.5131	NA	PeJP	NA	NA
+PJ104271	LKMMMRR 	C39H76N14O8S3	964.5133	NA	PeJP	NA	NA
+PJ104272	TKMHHRR 	C39H68N18O9S	964.5138	NA	PeJP	NA	NA
+PJ104273	TLLLLMMM 	C43H80N8O10S3	964.516	NA	PeJP	NA	NA
+PJ104274	GSTKKKMW 	C43H72N12O11S	964.5165	NA	PeJP	NA	NA
+PJ104275	GLLKYWW 	C51H68N10O9	964.5171	NA	PeJP	NA	NA
+PJ104276	SSSTTTLLR 	C39H72N12O16	964.5189	NA	PeJP	NA	NA
+PJ104277	SSSTTTILR 	C39H72N12O16	964.519	NA	PeJP	NA	NA
+PJ104278	SSLLKMMR 	C40H76N12O11S2	964.5198	NA	PeJP	NA	NA
+PJ104279	SVERRRY 	C40H68N16O12	964.5203	NA	PeJP	NA	NA
+PJ104280	PLKKMYW 	C48H72N10O9S	964.5205	NA	PeJP	NA	NA
+PJ104281	GHHFRRR 	C41H64N20O8	964.5217	NA	PeJP	NA	NA
+PJ104282	GVLKKEEY 	C44H72N10O14	964.523	NA	PeJP	NA	NA
+PJ104283	SSTCKKRR 	C37H72N16O12S	964.5237	NA	PeJP	NA	NA
+2894	neuropeptide from eyestalk of Macrobrachium rosenb	NRNFLRF~	964.5238	antibacterial	Inhouse_peptide	NA	peptide
+PJ104284	APLKKMMF 	C45H76N10O9S2	964.5239	NA	PeJP	NA	NA
+PJ104285	ATLRRYW 	C45H68N14O10	964.5243	NA	PeJP	NA	NA
+PJ104286	ASTTTLLKM 	C41H76N10O14S	964.5263	NA	PeJP	NA	NA
+PJ104287	SSSSLLLKM 	C41H76N10O14S	964.5264	NA	PeJP	NA	NA
+PJ104288	SPPLLLYY 	C49H72N8O12	964.527	NA	PeJP	NA	NA
+PJ104289	ALLKKMMM 	C42H80N10O9S3	964.5272	NA	PeJP	NA	NA
+PJ104290	VLQMRRY 	C42H72N14O10S	964.5277	NA	PeJP	NA	NA
+PJ104291	VLHFFFR 	C50H68N12O8	964.5283	NA	PeJP	NA	NA
+PJ104292	PVLKHWW 	C50H68N12O8	964.5284	NA	PeJP	NA	NA
+PJ104293	GSSTTTKKR 	C38H72N14O15	964.5302	NA	PeJP	NA	NA
+PJ104294	ALLLLEMY 	C46H76N8O12S	964.5304	NA	PeJP	NA	NA
+PJ104295	GSKKKMMR 	C39H76N14O10S2	964.5311	NA	PeJP	NA	NA
+PJ104296	GSPQKHRR 	C39H68N18O11	964.5315	NA	PeJP	NA	NA
+PJ104297	GGGPTKHRR 	C39H68N18O11	964.5316	NA	PeJP	NA	NA
+PJ104298	VVKMFRW 	C47H72N12O8S	964.5317	NA	PeJP	NA	NA
+PJ104299	SSTTKKKW 	C43H72N12O13	964.5342	NA	PeJP	NA	NA
+PJ104300	GGGGGGAPPLLL 	C43H72N12O13	964.5343	NA	PeJP	NA	NA
+PJ104301	PTLHRRW 	C44H68N16O9	964.5356	NA	PeJP	NA	NA
+PJ104302	SSKKKKEM 	C40H76N12O13S	964.5376	NA	PeJP	NA	NA
+PJ104303	VLKKEYW 	C48H72N10O11	964.5382	NA	PeJP	NA	NA
+PJ104304	PPPVLKEW 	C48H72N10O11	964.5383	NA	PeJP	NA	NA
+PJ104305	ALMRRRY 	C41H72N16O9S	964.5389	NA	PeJP	NA	NA
+MJ098851	Antibiotic PF 1022; Antiobiotic PF 1022E 	C52H76N4O13	964.540888	NA	MeJP	NA	NA
+PJ104306	SPVLKKMY 	C45H76N10O11S	964.5416	NA	PeJP	NA	NA
+PJ104307	PPVVLFFF 	C53H72N8O9	964.5423	NA	PeJP	NA	NA
+PJ104308	VNQHRRR 	C38H68N20O10	964.5428	NA	PeJP	NA	NA
+PJ104309	STTTTTLLK 	C41H76N10O16	964.5441	NA	PeJP	NA	NA
+PJ104310	TTLLKKMM 	C42H80N10O11S2	964.545	NA	PeJP	NA	NA
+PJ104311	NKKKERY 	C42H72N14O12	964.5454	NA	PeJP	NA	NA
+PJ104312	TLKERRY 	C42H72N14O12	964.5455	NA	PeJP	NA	NA
+PJ104313	PVVLLMFF 	C50H76N8O9S	964.5456	NA	PeJP	NA	NA
+PJ104314	PPHFRRR 	C43H68N18O8	964.5468	NA	PeJP	NA	NA
+PJ104315	TTLLLLEY 	C46H76N8O14	964.5481	NA	PeJP	NA	NA
+PJ104316	SSTKKKMR 	C39H76N14O12S	964.5488	NA	PeJP	NA	NA
+PJ104317	VVLLLMMF 	C47H80N8O9S2	964.549	NA	PeJP	NA	NA
+PJ104318	SLLKRYW 	C47H72N12O10	964.5495	NA	PeJP	NA	NA
+PJ104319	PLMHRRR 	C40H72N18O8S	964.5502	NA	PeJP	NA	NA
+PJ104320	AALLKMRY 	C44H76N12O10S	964.5529	NA	PeJP	NA	NA
+PJ104321	PLKKFFW 	C52H72N10O8	964.5535	NA	PeJP	NA	NA
+PJ104322	GQHRRRR 	C37H68N22O9	964.554	NA	PeJP	NA	NA
+PJ104323	SSSSTLKKK 	C40H76N12O15	964.5553	NA	PeJP	NA	NA
+PJ104324	ATKKKKMM 	C41H80N12O10S2	964.5562	NA	PeJP	NA	NA
+PJ104325	TTLRRRY 	C41H72N16O11	964.5567	NA	PeJP	NA	NA
+PJ104326	LLKKMFW 	C49H76N10O8S	964.5569	NA	PeJP	NA	NA
+PJ104327	ATLLKKEY 	C45H76N10O13	964.5594	NA	PeJP	NA	NA
+MJ098852	Dammarane-3,12,20,24,25,28-hexol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H84O19	964.56068	NA	MeJP	NA	NA
+PJ104328	GKKKRYW 	C46H72N14O9	964.5607	NA	PeJP	NA	NA
+PJ104329	APLLLLYY 	C50H76N8O11	964.5634	NA	PeJP	NA	NA
+PJ104330	VLKMRRY 	C43H76N14O9S	964.5641	NA	PeJP	NA	NA
+PJ104331	SLLLLLMY 	C47H80N8O11S	964.5668	NA	PeJP	NA	NA
+PJ104332	VLEHRRR 	C40H72N18O10	964.5679	NA	PeJP	NA	NA
+PJ104333	ATTLLKRY 	C44H76N12O12	964.5706	NA	PeJP	NA	NA
+PJ104334	ALFFRRR 	C45H72N16O8	964.5719	NA	PeJP	NA	NA
+PJ104335	VVLHRRW 	C45H72N16O8	964.572	NA	PeJP	NA	NA
+MJ098853	BZR-Cotoxin II 	C48H80N6O14	964.573251	NA	MeJP	NA	NA
+PJ104336	TTTKKKKM 	C41H80N12O12S	964.574	NA	PeJP	NA	NA
+PJ104337	PPVLLLQW 	C49H76N10O10	964.5746	NA	PeJP	NA	NA
+PJ104338	CKKKFRR 	C42H76N16O8S	964.5753	NA	PeJP	NA	NA
+MJ098854	Sphinxolide F 	C52H84O16	964.575936	NA	MeJP	NA	NA
+PJ104339	GLLLKKMY 	C46H80N10O10S	964.578	NA	PeJP	NA	NA
+PJ104340	PPQRRRR 	C39H72N20O9	964.5792	NA	PeJP	NA	NA
+PJ104341	DKKKKRY 	C43H76N14O11	964.5818	NA	PeJP	NA	NA
+PJ104342	PPVVLERR 	C43H76N14O11	964.5819	NA	PeJP	NA	NA
+PJ104343	APPLLLRW 	C48H76N12O9	964.5859	NA	PeJP	NA	NA
+PJ104344	GVKKKKMF 	C45H80N12O9S	964.5892	NA	PeJP	NA	NA
+PJ104345	GKHRRRR 	C38H72N22O8	964.5904	NA	PeJP	NA	NA
+PJ104346	SKKKRRY 	C42H76N16O10	964.5931	NA	PeJP	NA	NA
+PJ104347	STLLLKKY 	C46H80N10O12	964.5958	NA	PeJP	NA	NA
+PJ104348	LLLKHRW 	C47H76N14O8	964.5971	NA	PeJP	NA	NA
+3233	bombolitin IV from venom of bumble bee (Megabombus	INIKDILAKLVKVLGHVG	964.5984	MH2+	Inhouse_peptide	NA	peptide
+PJ104349	ALLLLLFY 	C51H80N8O10	964.5998	NA	PeJP	NA	NA
+PJ104350	KKKKMFR 	C44H80N14O8S	964.6005	NA	PeJP	NA	NA
+PJ104351	GPPVKRRR 	C41H76N18O9	964.6043	NA	PeJP	NA	NA
+PJ104352	GTLKKKKY 	C45H80N12O11	964.607	NA	PeJP	NA	NA
+PJ104353	PPVLLLKW 	C50H80N10O9	964.611	NA	PeJP	NA	NA
+PJ104354	LLLLLLMH 	C47H84N10O9S	964.6144	NA	PeJP	NA	NA
+PJ104355	PPKRRRR 	C40H76N20O8	964.6156	NA	PeJP	NA	NA
+PJ104356	PPTLLLRR 	C44H80N14O10	964.6182	NA	PeJP	NA	NA
+PJ104357	APPLKKRR 	C43H80N16O9	964.6295	NA	PeJP	NA	NA
+PJ104358	SPPVVILLK 	C47H84N10O11	964.6321	NA	PeJP	NA	NA
+PJ104359	APPTLLLLK 	C47H84N10O11	964.6322	NA	PeJP	NA	NA
+PJ104360	LKKKHRR 	C42H80N18O8	964.6407	NA	PeJP	NA	NA
+PJ104361	PLLLLLQR 	C46H84N12O10	964.6434	NA	PeJP	NA	NA
+PJ104362	PVVLLLRR 	C45H84N14O9	964.6546	NA	PeJP	NA	NA
+PJ104363	GPVLLLLLK 	C48H88N10O10	964.6685	NA	PeJP	NA	NA
+PJ104364	PLLLLLKR 	C47H88N12O9	964.6798	NA	PeJP	NA	NA
+HMDB05419	TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C63H112O6	964.845886	NA	HMDB2010	NA	NA
+HMDB05419	TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C63H112O6	964.84589	http://www.hmdb.ca/metabolites/HMDB05419	HMDB	NA	NA
+HMDB05419	TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	C63H112O6	964.84589	HMDB05419	PFEM_hmdb_metabocards_official	NA	NA
+PJ104365	SCCCCCDDD 	C30H47N9O17S5	965.1694	NA	PeJP	NA	NA
+PJ104366	PCCCCCCCE 	C31H51N9O12S7	965.1703	NA	PeJP	NA	NA
+PJ104367	GCCCCCDEM 	C31H51N9O14S6	965.188	NA	PeJP	NA	NA
+PJ104368	SCCCCCCNQ 	C30H51N11O13S6	965.1992	NA	PeJP	NA	NA
+PJ104369	GGSCCCCCCQ 	C30H51N11O13S6	965.1993	NA	PeJP	NA	NA
+PJ104370	CCCCCDMW 	C35H51N9O11S6	965.2033	NA	PeJP	NA	NA
+PJ104371	SSCCCCDDM 	C31H51N9O16S5	965.2058	NA	PeJP	NA	NA
+PJ104372	PTCCCCCCM 	C32H55N9O11S7	965.2066	NA	PeJP	NA	NA
+PJ104373	GSSSCCCCCN 	C30H51N11O15S5	965.217	NA	PeJP	NA	NA
+PJ104374	GPCCCCCDY 	C35H51N9O13S5	965.221	NA	PeJP	NA	NA
+PJ104375	GSCCCCEMM 	C32H55N9O13S6	965.2244	NA	PeJP	NA	NA
+PJ104376	GCCCCCNNF 	C34H51N11O12S5	965.2323	NA	PeJP	NA	NA
+PJ104377	SCCCCCCNK 	C31H55N11O12S6	965.2356	NA	PeJP	NA	NA
+PJ104378	CCCNDDMY 	C35H51N9O15S4	965.2388	NA	PeJP	NA	NA
+PJ104379	SCCCCMMW 	C36H55N9O10S6	965.2397	NA	PeJP	NA	NA
+PJ104380	SSSCCCDMM 	C32H55N9O15S5	965.2422	NA	PeJP	NA	NA
+PJ104381	CCCNMMMM 	C33H59N9O10S7	965.243	NA	PeJP	NA	NA
+PJ104382	GTCCCCCHH 	C33H51N13O11S5	965.2435	NA	PeJP	NA	NA
+PJ104383	GSCCDDDDH 	C33H47N11O19S2	965.2492	NA	PeJP	NA	NA
+PJ104384	GSCCCCNNY 	C34H51N11O14S4	965.25	NA	PeJP	NA	NA
+PJ104385	GCCCCEYW 	C39H51N9O12S4	965.254	NA	PeJP	NA	NA
+PJ104386	GPCDDDDDD 	C34H47N9O22S	965.2557	NA	PeJP	NA	NA
+PJ104387	GSSCCCDEY 	C35H51N9O17S3	965.2565	NA	PeJP	NA	NA
+PJ104388	GSPCCCCMY 	C36H55N9O12S5	965.2574	NA	PeJP	NA	NA
+PJ104389	GSTCCCMMM 	C33H59N9O12S6	965.2608	NA	PeJP	NA	NA
+PJ104390	SSSCCCCHH 	C33H51N13O13S4	965.2612	NA	PeJP	NA	NA
+PJ104391	PCCCCDHW 	C38H51N11O11S4	965.2653	NA	PeJP	NA	NA
+PJ104392	CCNDDEMH 	C34H51N11O16S3	965.2678	NA	PeJP	NA	NA
+PJ104393	CCCCCEFR 	C35H55N11O11S5	965.2687	NA	PeJP	NA	NA
+PJ104394	CCCCYWW 	C43H51N9O9S4	965.2693	NA	PeJP	NA	NA
+PJ104395	SSCCCDYW 	C39H51N9O14S3	965.2718	NA	PeJP	NA	NA
+PJ104396	ACCCCMFW 	C40H55N9O9S5	965.2727	NA	PeJP	NA	NA
+PJ104397	NDDDDDEE 	C34H47N9O24	965.2734	NA	PeJP	NA	NA
+PJ104398	GADDDDDDE 	C34H47N9O24	965.2735	NA	PeJP	NA	NA
+PJ104399	SSSSCCDDY 	C35H51N9O19S2	965.2743	NA	PeJP	NA	NA
+PJ104400	SCCNDMMY 	C36H55N9O14S4	965.2752	NA	PeJP	NA	NA
+PJ104401	CCCCNHHF 	C37H51N13O10S4	965.2765	NA	PeJP	NA	NA
+HMDB03936	(S)-3-Hydroxydodecanoyl-CoA	C33H58N7O18P3S	965.27716	http://www.hmdb.ca/metabolites/HMDB03936	HMDB	NA	NA
+HMDB03936	(S)-3-Hydroxydodecanoyl-CoA	C33H58N7O18P3S	965.27716	HMDB03936	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03936	(S)-3-Hydroxydodecanoyl-CoA	C33H58N7O18P3S	965.277161	NA	HMDB2010	NA	NA
+MJ098855	(S)-3-Hydroxydodecanoyl-CoA 	C33H58N7O18P3S	965.277188	NA	MeJP	NA	NA
+C05262	(S)-3-Hydroxydodecanoyl-CoA	C33H58N7O18P3S	965.2772	NA	KEGG	NA	NA
+PJ104402	SSSSCCMMM 	C33H59N9O14S5	965.2785	NA	PeJP	NA	NA
+PJ104403	CCCDDDHR 	C33H51N13O15S3	965.279	NA	PeJP	NA	NA
+PJ104404	GCCDDMHW 	C38H51N11O13S3	965.283	NA	PeJP	NA	NA
+PJ104405	GSNNDDDDD 	C33H47N11O23	965.2847	NA	PeJP	NA	NA
+PJ104406	GSSCDDDMH 	C34H51N11O18S2	965.2855	NA	PeJP	NA	NA
+PJ104407	GGGPCCNDDE 	C34H51N11O18S2	965.2856	NA	PeJP	NA	NA
+PJ104408	SCCCCERY 	C35H55N11O13S4	965.2864	NA	PeJP	NA	NA
+PJ104409	GDDDDDEW 	C38H47N9O21	965.2887	NA	PeJP	NA	NA
+PJ104410	GCCNDEYY 	C39H51N9O16S2	965.2896	NA	PeJP	NA	NA
+PJ104411	GTCCCMYW 	C40H55N9O11S4	965.2904	NA	PeJP	NA	NA
+PJ104412	GSPDDDDDM 	C35H51N9O21S	965.2921	NA	PeJP	NA	NA
+PJ104413	GSSSCCEMY 	C36H55N9O16S3	965.2929	NA	PeJP	NA	NA
+PJ104414	GCCQMMMY 	C37H59N9O11S5	965.2938	NA	PeJP	NA	NA
+PJ104415	SCCCNNHW 	C37H51N13O12S3	965.2943	NA	PeJP	NA	NA
+PJ104416	SSSCCNNDH 	C33H51N13O17S2	965.2968	NA	PeJP	NA	NA
+PJ104417	CCNNNMMH 	C34H55N13O12S4	965.2976	NA	PeJP	NA	NA
+PJ104418	GGGGGGCCMMH 	C34H55N13O12S4	965.2977	NA	PeJP	NA	NA
+PJ104419	CCCEHWW 	C42H51N11O10S3	965.2983	NA	PeJP	NA	NA
+PJ104420	SSCCDEHW 	C38H51N11O15S2	965.3008	NA	PeJP	NA	NA
+PJ104421	SPCCCMHW 	C39H55N11O10S4	965.3017	NA	PeJP	NA	NA
+PJ104422	SSSSCDDEH 	C34H51N11O20S	965.3033	NA	PeJP	NA	NA
+PJ104423	DDDDDWW 	C42H47N9O18	965.304	NA	PeJP	NA	NA
+PJ104424	SCNDEMMH 	C35H55N11O15S3	965.3042	NA	PeJP	NA	NA
+PJ104425	CCNDYYW 	C43H51N9O13S2	965.3048	NA	PeJP	NA	NA
+PJ104426	GCCCMMRY 	C36H59N11O10S5	965.305	NA	PeJP	NA	NA
+PJ104427	SPCDDDEW 	C39H51N9O18S	965.3073	NA	PeJP	NA	NA
+PJ104428	GCCNNNNNN 	C32H51N15O16S2	965.308	NA	PeJP	NA	NA
+PJ104429	GGGGGGGGGGGGGCC 	C32H51N15O16S2	965.3081	NA	PeJP	NA	NA
+PJ104430	SSSCCMYW 	C40H55N9O13S3	965.3082	NA	PeJP	NA	NA
+PJ104431	CCCCNQHR 	C33H55N15O11S4	965.3089	NA	PeJP	NA	NA
+PJ104432	SNDDEEEE 	C35H51N9O23	965.3098	NA	PeJP	NA	NA
+PJ104433	SSSSSCDMY 	C36H55N9O18S2	965.3107	NA	PeJP	NA	NA
+PJ104434	SSCNMMMY 	C37H59N9O13S4	965.3115	NA	PeJP	NA	NA
+PJ104435	GGSSCMMMY 	C37H59N9O13S4	965.3116	NA	PeJP	NA	NA
+PJ104436	CCNNNDHF 	C37H51N13O14S2	965.312	NA	PeJP	NA	NA
+PJ104437	GGGGGGCCDHF 	C37H51N13O14S2	965.3121	NA	PeJP	NA	NA
+PJ104438	CNNDDDDR 	C33H51N13O19S	965.3145	NA	PeJP	NA	NA
+PJ104439	GGGGCDDDDR 	C33H51N13O19S	965.3146	NA	PeJP	NA	NA
+PJ104440	DDEMMYY 	C41H55N7O16S2	965.3147	NA	PeJP	NA	NA
+PJ104441	SCCDDMHR 	C34H55N13O14S3	965.3154	NA	PeJP	NA	NA
+PJ104442	ACNNDDEW 	C38H51N11O17S	965.3185	NA	PeJP	NA	NA
+PJ104443	GNNDDDMW 	C38H51N11O17S	965.3186	NA	PeJP	NA	NA
+PJ104444	EMMMMMY 	C39H63N7O11S5	965.3189	NA	PeJP	NA	NA
+PJ104445	GSCDMMHW 	C39H55N11O12S3	965.3194	NA	PeJP	NA	NA
+PJ104446	GSSNDDDQE 	C34H51N11O22	965.321	NA	PeJP	NA	NA
+PJ104447	SDDDDDER 	C34H51N11O22	965.3211	NA	PeJP	NA	NA
+PJ104448	PCDDDDMR 	C35H55N11O17S2	965.3219	NA	PeJP	NA	NA
+PJ104449	STCCCMRY 	C36H59N11O12S4	965.3228	NA	PeJP	NA	NA
+PJ104450	SCCNEHHH 	C36H51N15O13S2	965.3233	NA	PeJP	NA	NA
+PJ104451	CCNMFYW 	C44H55N9O10S3	965.3234	NA	PeJP	NA	NA
+PJ104452	GSDDEEEW 	C39H51N9O20	965.3251	NA	PeJP	NA	NA
+PJ104453	GSCNEMYY 	C40H55N9O15S2	965.3259	NA	PeJP	NA	NA
+PJ104454	GPDDDMMW 	C40H55N9O15S2	965.326	NA	PeJP	NA	NA
+PJ104455	GSSCCCNHR 	C33H55N15O13S3	965.3266	NA	PeJP	NA	NA
+PJ104456	PCCCCKFY 	C41H59N9O10S4	965.3268	NA	PeJP	NA	NA
+PJ104457	GSSPDDEEM 	C36H55N9O20S	965.3284	NA	PeJP	NA	NA
+PJ104458	GNEEEEEM 	C36H55N9O20S	965.3285	NA	PeJP	NA	NA
+PJ104459	DDDEFYY 	C44H51N7O18	965.3291	NA	PeJP	NA	NA
+PJ104460	GSSSTCMMY 	C37H59N9O15S3	965.3293	NA	PeJP	NA	NA
+PJ104461	SCNNNNDW 	C37H51N13O16S	965.3298	NA	PeJP	NA	NA
+PJ104462	GCCKMMMY 	C38H63N9O10S5	965.3302	NA	PeJP	NA	NA
+PJ104463	SSSNNNNDD 	C33H51N13O21	965.3323	NA	PeJP	NA	NA
+PJ104464	SSSSCNNMH 	C34H55N13O16S2	965.3331	NA	PeJP	NA	NA
+PJ104465	GSPCCNDDR 	C34H55N13O16S2	965.3332	NA	PeJP	NA	NA
+PJ104466	DEMMMFY 	C42H59N7O13S3	965.3333	NA	PeJP	NA	NA
+HMDB06588	Disialosyl galactosyl globoside	C36H59N3O27	965.333618	NA	HMDB2010	NA	NA
+HMDB06588	Disialosyl galactosyl globoside	C36H59N3O27	965.33362	http://www.hmdb.ca/metabolites/HMDB06588	HMDB	NA	NA
+HMDB06588	Disialosyl galactosyl globoside	C36H59N3O27	965.33362	HMDB06588	PFEM_hmdb_metabocards_official	NA	NA
+PJ104467	CNNDEWW 	C42H51N11O14S	965.3338	NA	PeJP	NA	NA
+PJ104468	GCCEMMHR 	C35H59N13O11S4	965.334	NA	PeJP	NA	NA
+PJ104469	TCCMHWW 	C43H55N11O9S3	965.3347	NA	PeJP	NA	NA
+PJ104470	SSNNDDEW 	C38H51N11O19	965.3363	NA	PeJP	NA	NA
+PJ104471	SSSCEMHW 	C39H55N11O14S2	965.3372	NA	PeJP	NA	NA
+PJ104472	CQMMMHW 	C40H59N11O9S4	965.338	NA	PeJP	NA	NA
+PJ104473	GACMMMHW 	C40H59N11O9S4	965.3381	NA	PeJP	NA	NA
+PJ104474	GSCCHHHW 	C40H51N15O10S2	965.3385	NA	PeJP	NA	NA
+PJ104475	GDDDEEMR 	C35H55N11O19S	965.3397	NA	PeJP	NA	NA
+PJ104476	SDDEEWW 	C43H51N9O17	965.3403	NA	PeJP	NA	NA
+PJ104477	SSNEMMMH 	C36H59N11O14S3	965.3405	NA	PeJP	NA	NA
+PJ104478	GGSSEMMMH 	C36H59N11O14S3	965.3406	NA	PeJP	NA	NA
+PJ104479	GSSSCDHHH 	C36H51N15O15S	965.341	NA	PeJP	NA	NA
+PJ104480	PCDEMWW 	C44H55N9O12S2	965.3412	NA	PeJP	NA	NA
+PJ104481	GCNMMHHH 	C37H55N15O10S3	965.3419	NA	PeJP	NA	NA
+PJ104482	NEEEEMW 	C40H55N9O17S	965.3437	NA	PeJP	NA	NA
+PJ104483	CCNNNNER 	C33H55N15O15S2	965.3444	NA	PeJP	NA	NA
+PJ104484	SPPCDMMW 	C41H59N9O12S3	965.3446	NA	PeJP	NA	NA
+PJ104485	GPCDDHHW 	C41H51N13O13S	965.3451	NA	PeJP	NA	NA
+PJ104486	CCCCNKHR 	C34H59N15O10S4	965.3453	NA	PeJP	NA	NA
+PJ104487	SSQEEEEE 	C36H55N9O22	965.3462	NA	PeJP	NA	NA
+PJ104488	SSSSSSMMY 	C37H59N9O17S2	965.347	NA	PeJP	NA	NA
+PJ104489	SSSSTTCMY 	C37H59N9O17S2	965.3471	NA	PeJP	NA	NA
+PJ104490	NNNNNDDF 	C37H51N13O18	965.3475	NA	PeJP	NA	NA
+PJ104491	GGGGNNNDDF 	C37H51N13O18	965.3476	NA	PeJP	NA	NA
+PJ104492	PDDMYYY 	C45H55N7O15S	965.3477	NA	PeJP	NA	NA
+PJ104493	STCCKMMY 	C38H63N9O12S4	965.3479	NA	PeJP	NA	NA
+PJ104494	GGPPDMMMM 	C38H63N9O12S4	965.348	NA	PeJP	NA	NA
+PJ104495	GCNNNQMW 	C38H55N13O13S2	965.3484	NA	PeJP	NA	NA
+PJ104496	GCNDWWW 	C46H51N11O11S	965.3491	NA	PeJP	NA	NA
+PJ104497	CCMMHRW 	C39H59N13O8S4	965.3493	NA	PeJP	NA	NA
+PJ104498	SNNDDDMR 	C34H55N13O18S	965.3509	NA	PeJP	NA	NA
+PJ104499	TEEMMYY 	C42H59N7O15S2	965.3511	NA	PeJP	NA	NA
+PJ104500	GSSNDDWW 	C42H51N11O16	965.3516	NA	PeJP	NA	NA
+PJ104501	SSCDMMHR 	C35H59N13O13S3	965.3518	NA	PeJP	NA	NA
+PJ104502	PMMMMYY 	C43H63N7O10S4	965.352	NA	PeJP	NA	NA
+PJ104503	CNNNNNHH 	C35H51N17O14S	965.3522	NA	PeJP	NA	NA
+PJ104504	GGCNNNNHH 	C35H51N17O14S	965.3523	NA	PeJP	NA	NA
+PJ104505	GSPCCQWW 	C43H55N11O11S2	965.3524	NA	PeJP	NA	NA
+PJ104506	ACCCHHHR 	C36H55N17O9S3	965.3531	NA	PeJP	NA	NA
+PJ104507	DDDEMRW 	C39H55N11O16S	965.3549	NA	PeJP	NA	NA
+PJ104508	GGGGGSEEMW 	C39H55N11O16S	965.355	NA	PeJP	NA	NA
+PJ104509	GSSMMMHW 	C40H59N11O11S3	965.3558	NA	PeJP	NA	NA
+PJ104510	GCNDHHHF 	C40H51N15O12S	965.3563	NA	PeJP	NA	NA
+PJ104511	CCNFFFW 	C48H55N9O9S2	965.3564	NA	PeJP	NA	NA
+PJ104512	GGCCFFFW 	C48H55N9O9S2	965.3565	NA	PeJP	NA	NA
+PJ104513	SSDDEEER 	C35H55N11O21	965.3574	NA	PeJP	NA	NA
+PJ104514	GGGGGSSTEEE 	C35H55N11O21	965.3575	NA	PeJP	NA	NA
+PJ104515	SPDDDMMR 	C36H59N11O16S2	965.3583	NA	PeJP	NA	NA
+PJ104516	GDDDDHHR 	C36H51N15O17	965.3588	NA	PeJP	NA	NA
+PJ104517	GSSTCYYW 	C44H55N9O14S	965.3589	NA	PeJP	NA	NA
+PJ104518	GEEEMWW 	C44H55N9O14S	965.359	NA	PeJP	NA	NA
+PJ104519	PPCCEMMR 	C37H63N11O11S4	965.3592	NA	PeJP	NA	NA
+PJ104520	GCCNNNRW 	C37H55N15O12S2	965.3596	NA	PeJP	NA	NA
+PJ104521	GGGCCNNRW 	C37H55N15O12S2	965.3597	NA	PeJP	NA	NA
+PJ104522	GSSSSSEYY 	C40H55N9O19	965.3614	NA	PeJP	NA	NA
+PJ104523	GSTEEEEW 	C40H55N9O19	965.3615	NA	PeJP	NA	NA
+PJ104524	GSSCNNNDR 	C33H55N15O17S	965.3621	NA	PeJP	NA	NA
+PJ104525	GGGSSCNNDR 	C33H55N15O17S	965.3622	NA	PeJP	NA	NA
+PJ104526	GSPEEMMW 	C41H59N9O14S2	965.3623	NA	PeJP	NA	NA
+PJ104527	NDEEHHW 	C41H51N13O15	965.3628	NA	PeJP	NA	NA
+PJ104528	PCCCNDRR 	C34H59N15O12S3	965.363	NA	PeJP	NA	NA
+PJ104529	APPCMMMW 	C42H63N9O9S4	965.3632	NA	PeJP	NA	NA
+PJ104530	CCDHFRW 	C42H55N13O10S2	965.3637	NA	PeJP	NA	NA
+PJ104531	GDKEEEEM 	C37H59N9O19S	965.3648	NA	PeJP	NA	NA
+PJ104532	AEEEYYY 	C45H55N7O17	965.3655	NA	PeJP	NA	NA
+PJ104533	APQEEMMM 	C38H63N9O14S3	965.3657	NA	PeJP	NA	NA
+PJ104534	GSCNDERW 	C38H55N13O15S	965.3662	NA	PeJP	NA	NA
+PJ104535	PDMMFYY 	C46H59N7O12S2	965.3663	NA	PeJP	NA	NA
+PJ104536	DEMMFFF 	C46H59N7O12S2	965.3664	NA	PeJP	NA	NA
+PJ104537	GPCCNMRW 	C39H59N13O10S3	965.367	NA	PeJP	NA	NA
+PJ104538	GGGPCCMRW 	C39H59N13O10S3	965.3671	NA	PeJP	NA	NA
+PJ104539	GCMHFWW 	C47H55N11O8S2	965.3677	NA	PeJP	NA	NA
+PJ104540	SSTTNNNND 	C34H55N13O20	965.3686	NA	PeJP	NA	NA
+PJ104541	GSSSNDDER 	C34H55N13O20	965.3687	NA	PeJP	NA	NA
+PJ104542	GNNDEMMR 	C35H59N13O15S2	965.3695	NA	PeJP	NA	NA
+PJ104543	GGGNDEMMR 	C35H59N13O15S2	965.3696	NA	PeJP	NA	NA
+PJ104544	VEMMMYY 	C43H63N7O12S3	965.3697	NA	PeJP	NA	NA
+PJ104545	SNNEMWW 	C43H55N11O13S	965.3702	NA	PeJP	NA	NA
+PJ104546	GTCMMMHR 	C36H63N13O10S4	965.3704	NA	PeJP	NA	NA
+PJ104547	SSCCHHHR 	C36H55N17O11S2	965.3709	NA	PeJP	NA	NA
+PJ104548	SSSNQEEW 	C39H55N11O18	965.3727	NA	PeJP	NA	NA
+PJ104549	SSSTMMHW 	C40H59N11O13S2	965.3736	NA	PeJP	NA	NA
+PJ104550	GSNNDHHW 	C40H51N15O14	965.374	NA	PeJP	NA	NA
+PJ104551	GGGGGSDHHW 	C40H51N15O14	965.3741	NA	PeJP	NA	NA
+PJ104552	EEMWWW 	C48H55N9O11S	965.3742	NA	PeJP	NA	NA
+PJ104553	CKMMMHW 	C41H63N11O8S4	965.3744	NA	PeJP	NA	NA
+PJ104554	SSSSTTEMH 	C36H59N11O18S	965.376	NA	PeJP	NA	NA
+PJ104555	GSEEEEMR 	C36H59N11O18S	965.3761	NA	PeJP	NA	NA
+PJ104556	STEEEWW 	C44H55N9O16	965.3767	NA	PeJP	NA	NA
+PJ104557	GPDEMMMR 	C37H63N11O13S3	965.3769	NA	PeJP	NA	NA
+PJ104558	GGGGPCKEMM 	C37H63N11O13S3	965.377	NA	PeJP	NA	NA
+PJ104559	SPCDDHHR 	C37H55N15O14S	965.3774	NA	PeJP	NA	NA
+PJ104560	SPEMMWW 	C45H59N9O11S2	965.3776	NA	PeJP	NA	NA
+PJ104561	GDEHHWW 	C45H51N13O12	965.3781	NA	PeJP	NA	NA
+PJ104562	ACCKMHHH 	C38H59N15O9S3	965.3783	NA	PeJP	NA	NA
+PJ104563	DKEEEMW 	C41H59N9O16S	965.3801	NA	PeJP	NA	NA
+PJ104564	PDDFFYY 	C49H55N7O14	965.3807	NA	PeJP	NA	NA
+PJ104565	GCNDDMRR 	C34H59N15O14S2	965.3808	NA	PeJP	NA	NA
+PJ104566	CQKMMYY 	C42H63N9O11S3	965.3809	NA	PeJP	NA	NA
+PJ104567	AAPEMMMW 	C42H63N9O11S3	965.381	NA	PeJP	NA	NA
+PJ104568	SCNDRWW 	C42H55N13O12S	965.3814	NA	PeJP	NA	NA
+PJ104569	GGGGGGACHFF 	C42H55N13O12S	965.3815	NA	PeJP	NA	NA
+PJ104570	SSKEEEEE 	C37H59N9O21	965.3826	NA	PeJP	NA	NA
+PJ104571	GLQEEEMM 	C38H63N9O16S2	965.3835	NA	PeJP	NA	NA
+PJ104572	SSSNDDRW 	C38H55N13O17	965.3839	NA	PeJP	NA	NA
+PJ104573	GGGGGGGGAQEY 	C38H55N13O17	965.384	NA	PeJP	NA	NA
+PJ104574	PTEMYYY 	C46H59N7O14S	965.3841	NA	PeJP	NA	NA
+PJ104575	PPTQMMMM 	C39H67N9O11S4	965.3843	NA	PeJP	NA	NA
+PJ104576	NNDMMRW 	C39H59N13O12S2	965.3848	NA	PeJP	NA	NA
+PJ104577	PMMMFFY 	C47H63N7O9S3	965.385	NA	PeJP	NA	NA
+PJ104578	GSNMWWW 	C47H55N11O10S	965.3854	NA	PeJP	NA	NA
+PJ104579	GGGSMWWW 	C47H55N11O10S	965.3855	NA	PeJP	NA	NA
+PJ104580	MMHHHHH 	C40H55N17O8S2	965.3861	NA	PeJP	NA	NA
+PJ104581	SSNNEEMR 	C35H59N13O17S	965.3873	NA	PeJP	NA	NA
+PJ104582	GSSSQEWW 	C43H55N11O15	965.3879	NA	PeJP	NA	NA
+PJ104583	GGGSSTEWW 	C43H55N11O15	965.388	NA	PeJP	NA	NA
+PJ104584	SSSMMMHR 	C36H63N13O12S3	965.3882	NA	PeJP	NA	NA
+PJ104585	LMMMMFY 	C44H67N7O9S4	965.3883	NA	PeJP	NA	NA
+PJ104586	GCNNEHHR 	C36H55N17O13S	965.3886	NA	PeJP	NA	NA
+PJ104587	GGGCNEHHR 	C36H55N17O13S	965.3887	NA	PeJP	NA	NA
+PJ104588	GQQMMWW 	C44H59N11O10S2	965.3888	NA	PeJP	NA	NA
+PJ104589	SEEEMRW 	C40H59N11O15S	965.3913	NA	PeJP	NA	NA
+PJ104590	GPEEYWW 	C48H55N9O13	965.392	NA	PeJP	NA	NA
+PJ104591	PDMMMRW 	C41H63N11O10S3	965.3922	NA	PeJP	NA	NA
+PJ104592	CQQQHHW 	C41H55N15O11S	965.3926	NA	PeJP	NA	NA
+PJ104593	NNQMHHW 	C41H55N15O11S	965.3927	NA	PeJP	NA	NA
+PJ104594	PPCMFWW 	C49H59N9O8S2	965.3928	NA	PeJP	NA	NA
+PJ104595	DHHWWW 	C49H51N13O9	965.3933	NA	PeJP	NA	NA
+PJ104596	SSTEEEER 	C36H59N11O20	965.3938	NA	PeJP	NA	NA
+PJ104597	AAEEEMMR 	C37H63N11O15S2	965.3947	NA	PeJP	NA	NA
+PJ104598	GNNNNDRY 	C37H55N15O16	965.3952	NA	PeJP	NA	NA
+PJ104599	SVEEMWW 	C45H59N9O13S	965.3953	NA	PeJP	NA	NA
+PJ104600	GAPEEMFW 	C45H59N9O13S	965.3954	NA	PeJP	NA	NA
+PJ104601	PPTCMMMR 	C38H67N11O10S4	965.3956	NA	PeJP	NA	NA
+PJ104602	CCNERRW 	C38H59N15O11S2	965.396	NA	PeJP	NA	NA
+PJ104603	GGGAPCCKHH 	C38H59N15O11S2	965.3961	NA	PeJP	NA	NA
+PJ104604	PCLMMWW 	C46H63N9O8S3	965.3962	NA	PeJP	NA	NA
+PJ104605	GNNNHHHH 	C38H51N19O12	965.3965	NA	PeJP	NA	NA
+PJ104606	PTCHHWW 	C46H55N13O9S	965.3967	NA	PeJP	NA	NA
+PJ104607	SSSLEEEW 	C41H59N9O18	965.3978	NA	PeJP	NA	NA
+PJ104608	GPDKEEEY 	C41H59N9O18	965.3979	NA	PeJP	NA	NA
+PJ104609	SSCNDERR 	C34H59N15O16S	965.3985	NA	PeJP	NA	NA
+PJ104610	GGGGGGGSSSMR 	C34H59N15O16S	965.3986	NA	PeJP	NA	NA
+PJ104611	LQEEMMW 	C42H63N9O13S2	965.3987	NA	PeJP	NA	NA
+PJ104612	NNNQQYW 	C42H55N13O14	965.3992	NA	PeJP	NA	NA
+PJ104613	PDMFFFY 	C50H59N7O11S	965.3994	NA	PeJP	NA	NA
+PJ104614	ACNMRWW 	C43H59N13O9S2	965.4	NA	PeJP	NA	NA
+PJ104615	GCQMRWW 	C43H59N13O9S2	965.4001	NA	PeJP	NA	NA
+PJ104616	DHHHHHF 	C43H51N17O10	965.4005	NA	PeJP	NA	NA
+PJ104617	ATKEEEEM 	C38H63N9O18S	965.4012	NA	PeJP	NA	NA
+PJ104618	SLEEYYY 	C46H59N7O16	965.4019	NA	PeJP	NA	NA
+PJ104619	APKEEMMM 	C39H67N9O13S3	965.4021	NA	PeJP	NA	NA
+PJ104620	ASSCQERW 	C39H59N13O14S	965.4025	NA	PeJP	NA	NA
+PJ104621	GSSNEMRW 	C39H59N13O14S	965.4026	NA	PeJP	NA	NA
+PJ104622	PVMMYYY 	C47H63N7O11S2	965.4027	NA	PeJP	NA	NA
+PJ104623	SSSQWWW 	C47H55N11O12	965.4032	NA	PeJP	NA	NA
+PJ104624	APCCCKRW 	C40H63N13O9S3	965.4034	NA	PeJP	NA	NA
+PJ104625	CNNHHRW 	C40H55N17O10S	965.4039	NA	PeJP	NA	NA
+PJ104626	ASSSSDQER 	C35H59N13O19	965.405	NA	PeJP	NA	NA
+PJ104627	GSSSSQEER 	C35H59N13O19	965.4051	NA	PeJP	NA	NA
+PJ104628	DEEMMRR 	C36H63N13O14S2	965.4059	NA	PeJP	NA	NA
+PJ104629	GGGGGGGGTKMM 	C36H63N13O14S2	965.406	NA	PeJP	NA	NA
+PJ104630	SSNNDHHR 	C36H55N17O15	965.4064	NA	PeJP	NA	NA
+PJ104631	SNDKMWW 	C44H59N11O12S	965.4066	NA	PeJP	NA	NA
+PJ104632	PEYWWW 	C52H55N9O10	965.4072	NA	PeJP	NA	NA
+PJ104633	SSSNKEEW 	C40H59N11O17	965.4091	NA	PeJP	NA	NA
+PJ104634	CLEEMRW 	C41H63N11O12S2	965.4099	NA	PeJP	NA	NA
+PJ104635	VDEMMRW 	C41H63N11O12S2	965.41	NA	PeJP	NA	NA
+PJ104636	SDEHHRW 	C41H55N15O13	965.4104	NA	PeJP	NA	NA
+PJ104637	GGGGGGGGAPHW 	C41H55N15O13	965.4105	NA	PeJP	NA	NA
+PJ104638	SPPMYWW 	C49H59N9O10S	965.4106	NA	PeJP	NA	NA
+PJ104639	GCCRRWW 	C42H59N15O8S2	965.4113	NA	PeJP	NA	NA
+PJ104640	SSTTTTTMH 	C37H63N11O17S	965.4124	NA	PeJP	NA	NA
+PJ104641	ATTEEEMR 	C37H63N11O17S	965.4125	NA	PeJP	NA	NA
+PJ104642	PDKEEYW 	C45H59N9O15	965.4131	NA	PeJP	NA	NA
+PJ104643	APTEMMMR 	C38H67N11O12S3	965.4133	NA	PeJP	NA	NA
+PJ104644	GSSCDRRW 	C38H59N15O13S	965.4138	NA	PeJP	NA	NA
+PJ104645	ALEMMWW 	C46H63N9O10S2	965.414	NA	PeJP	NA	NA
+PJ104646	ATEHHWW 	C46H55N13O11	965.4144	NA	PeJP	NA	NA
+PJ104647	GGPEHHFW 	C46H55N13O11	965.4145	NA	PeJP	NA	NA
+PJ104648	GSSSSDDRR 	C34H59N15O18	965.4163	NA	PeJP	NA	NA
+PJ104649	GTTLEEMW 	C42H63N9O15S	965.4165	NA	PeJP	NA	NA
+PJ104650	PPTYYYY 	C50H59N7O13	965.4171	NA	PeJP	NA	NA
+PJ104651	GSNDMMRR 	C35H63N15O13S2	965.4172	NA	PeJP	NA	NA
+PJ104652	GPTLMMMW 	C43H67N9O10S3	965.4173	NA	PeJP	NA	NA
+PJ104653	AAAPPMMMF 	C43H67N9O10S3	965.4174	NA	PeJP	NA	NA
+PJ104654	SSNMRWW 	C43H59N13O11S	965.4178	NA	PeJP	NA	NA
+PJ104655	PMMFFFF 	C51H63N7O8S2	965.418	NA	PeJP	NA	NA
+PJ104656	NQFWWW 	C51H55N11O9	965.4185	NA	PeJP	NA	NA
+PJ104657	TTTKEEEE 	C38H63N9O20	965.419	NA	PeJP	NA	NA
+PJ104658	AVKEEEMM 	C39H67N9O15S2	965.4198	NA	PeJP	NA	NA
+PJ104659	GLKEEEMM 	C39H67N9O15S2	965.4199	NA	PeJP	NA	NA
+PJ104660	SSSSQERW 	C39H59N13O16	965.4203	NA	PeJP	NA	NA
+PJ104661	GGGGGGGGAPPPE 	C39H59N13O16	965.4204	NA	PeJP	NA	NA
+PJ104662	VVEMYYY 	C47H63N7O13S	965.4205	NA	PeJP	NA	NA
+PJ104663	PPTKMMMM 	C40H71N9O10S4	965.4207	NA	PeJP	NA	NA
+PJ104664	SQQMMRW 	C40H63N13O11S2	965.4212	NA	PeJP	NA	NA
+PJ104665	LMMMFFF 	C48H67N7O8S3	965.4214	NA	PeJP	NA	NA
+PJ104666	AAQEHHHH 	C40H55N17O12	965.4217	NA	PeJP	NA	NA
+PJ104667	GTCKWWW 	C48H59N11O9S	965.4218	NA	PeJP	NA	NA
+PJ104668	SSNDKEMR 	C36H63N13O16S	965.4237	NA	PeJP	NA	NA
+PJ104669	GSSSKEWW 	C44H59N11O14	965.4243	NA	PeJP	NA	NA
+PJ104670	GGGGGALEYW 	C44H59N11O14	965.4244	NA	PeJP	NA	NA
+PJ104671	AAQQMMMR 	C37H67N13O11S3	965.4246	NA	PeJP	NA	NA
+PJ104672	DDMHHRR 	C37H59N17O12S	965.425	NA	PeJP	NA	NA
+PJ104673	GQKMMWW 	C45H63N11O9S2	965.4252	NA	PeJP	NA	NA
+PJ104674	NQHHHFF 	C45H55N15O10	965.4257	NA	PeJP	NA	NA
+PJ104675	GSTQKEMW 	C41H63N11O14S	965.4277	NA	PeJP	NA	NA
+PJ104676	GSKYYYW 	C49H59N9O12	965.4283	NA	PeJP	NA	NA
+PJ104677	SPVEYWW 	C49H59N9O12	965.4284	NA	PeJP	NA	NA
+PJ104678	APCCKKMW 	C42H67N11O9S3	965.4286	NA	PeJP	NA	NA
+PJ104679	AEMHHRW 	C42H59N15O10S	965.429	NA	PeJP	NA	NA
+PJ104680	VCEHHRW 	C42H59N15O10S	965.4291	NA	PeJP	NA	NA
+PJ104681	GPHHFWW 	C50H55N13O8	965.4297	NA	PeJP	NA	NA
+PJ104682	TTTTEEER 	C37H63N11O19	965.4302	NA	PeJP	NA	NA
+PJ104683	GTLEEMMR 	C38H67N11O14S2	965.4311	NA	PeJP	NA	NA
+PJ104684	NNDERRY 	C38H59N15O15	965.4315	NA	PeJP	NA	NA
+PJ104685	GGNDERRY 	C38H59N15O15	965.4316	NA	PeJP	NA	NA
+PJ104686	TTLEMWW 	C46H63N9O12S	965.4317	NA	PeJP	NA	NA
+PJ104687	GPLMMMMR 	C39H71N11O9S4	965.432	NA	PeJP	NA	NA
+PJ104688	SCQMRRW 	C39H63N15O10S2	965.4324	NA	PeJP	NA	NA
+PJ104689	NEHHHHR 	C39H55N19O11	965.4329	NA	PeJP	NA	NA
+PJ104690	GLMHHWW 	C47H59N13O8S	965.4331	NA	PeJP	NA	NA
+PJ104691	STTTLEEW 	C42H63N9O17	965.4342	NA	PeJP	NA	NA
+PJ104692	SSSNEMRR 	C35H63N15O15S	965.4349	NA	PeJP	NA	NA
+PJ104693	LKEEMMW 	C43H67N9O12S2	965.4351	NA	PeJP	NA	NA
+PJ104694	GSSSTRWW 	C43H59N13O13	965.4356	NA	PeJP	NA	NA
+PJ104695	PVMFFYY 	C51H63N7O10S	965.4357	NA	PeJP	NA	NA
+PJ104696	NQMMMRR 	C36H67N15O10S3	965.4358	NA	PeJP	NA	NA
+PJ104697	GSCNHHRR 	C36H59N19O11S	965.4363	NA	PeJP	NA	NA
+PJ104698	GCKMRWW 	C44H63N13O8S2	965.4364	NA	PeJP	NA	NA
+PJ104699	VNHHHHW 	C44H55N17O9	965.4369	NA	PeJP	NA	NA
+PJ104700	STLKEEEM 	C39H67N9O17S	965.4376	NA	PeJP	NA	NA
+PJ104701	SPLKEMMM 	C40H71N9O12S3	965.4385	NA	PeJP	NA	NA
+PJ104702	GSSDKMRW 	C40H63N13O13S	965.4389	NA	PeJP	NA	NA
+PJ104703	GGGGSSCKKW 	C40H63N13O13S	965.439	NA	PeJP	NA	NA
+PJ104704	VLMMFYY 	C48H67N7O10S2	965.4391	NA	PeJP	NA	NA
+PJ104705	SSSKWWW 	C48H59N11O11	965.4396	NA	PeJP	NA	NA
+PJ104706	APCKHHHH 	C41H59N17O9S	965.4403	NA	PeJP	NA	NA
+PJ104707	GSSSSKEER 	C36H63N13O18	965.4414	NA	PeJP	NA	NA
+PJ104708	GGGGSSSSDKK 	C36H63N13O18	965.4415	NA	PeJP	NA	NA
+PJ104709	GSQKEMMR 	C37H67N13O13S2	965.4423	NA	PeJP	NA	NA
+PJ104710	GPNDDHRR 	C37H59N17O14	965.4428	NA	PeJP	NA	NA
+PJ104711	STQKMWW 	C45H63N11O11S	965.4429	NA	PeJP	NA	NA
+PJ104712	TTNKMWW 	C45H63N11O11S	965.443	NA	PeJP	NA	NA
+PJ104713	LEFWWW 	C53H59N9O9	965.4436	NA	PeJP	NA	NA
+PJ104714	SCCRRRW 	C38H63N17O9S2	965.4437	NA	PeJP	NA	NA
+PJ104715	SSSSSPTKW 	C41H63N11O16	965.4454	NA	PeJP	NA	NA
+PJ104716	SSSDKKEW 	C41H63N11O16	965.4455	NA	PeJP	NA	NA
+PJ104717	SSSCDRRR 	C34H63N17O14S	965.4462	NA	PeJP	NA	NA
+PJ104718	TLEMMRW 	C42H67N11O11S2	965.4463	NA	PeJP	NA	NA
+PJ104719	GGGAAPKMMF 	C42H67N11O11S2	965.4464	NA	PeJP	NA	NA
+PJ104720	GNDRRYW 	C42H59N15O12	965.4468	NA	PeJP	NA	NA
+PJ104721	APLMYWW 	C50H63N9O9S	965.447	NA	PeJP	NA	NA
+PJ104722	GHHHHRW 	C43H55N19O8	965.4482	NA	PeJP	NA	NA
+PJ104723	STTLEEMR 	C38H67N11O16S	965.4488	NA	PeJP	NA	NA
+PJ104724	VLQEEYW 	C46H63N9O14	965.4495	NA	PeJP	NA	NA
+PJ104725	GVLEMMMR 	C39H71N11O11S3	965.4497	NA	PeJP	NA	NA
+PJ104726	GSSSMRRW 	C39H63N15O12S	965.4502	NA	PeJP	NA	NA
+PJ104727	SLLMMWW 	C47H67N9O9S2	965.4503	NA	PeJP	NA	NA
+PJ104728	AAPLMMFW 	C47H67N9O9S2	965.4504	NA	PeJP	NA	NA
+PJ104729	QQRYWW 	C47H59N13O10	965.4508	NA	PeJP	NA	NA
+PJ104730	GSSSSTERR 	C35H63N15O17	965.4527	NA	PeJP	NA	NA
+PJ104731	SSTLLEMW 	C43H67N9O14S	965.4528	NA	PeJP	NA	NA
+PJ104732	SSTILEMW 	C43H67N9O14S	965.4529	NA	PeJP	NA	NA
+MJ098856	Antibiotic Q 6402A; Homologue (n = 4) 	C51H63N7O12	965.45347	NA	MeJP	NA	NA
+PJ104733	PVVYYYY 	C51H63N7O12	965.4535	NA	PeJP	NA	NA
+PJ104734	GGGTTMMRR 	C36H67N15O12S2	965.4536	NA	PeJP	NA	NA
+PJ104735	AALLMMMW 	C44H71N9O9S3	965.4537	NA	PeJP	NA	NA
+PJ104736	STCKRWW 	C44H63N13O10S	965.4542	NA	PeJP	NA	NA
+PJ104737	NKFWWW 	C52H59N11O8	965.4548	NA	PeJP	NA	NA
+PJ104738	GGKFWWW 	C52H59N11O8	965.4549	NA	PeJP	NA	NA
+PJ104739	ATTTTTLEE 	C39H67N9O19	965.4553	NA	PeJP	NA	NA
+PJ104740	SSSTTLLEE 	C39H67N9O19	965.4554	NA	PeJP	NA	NA
+PJ104741	SVLKEEMM 	C40H71N9O14S2	965.4562	NA	PeJP	NA	NA
+PJ104742	SSSSKERW 	C40H63N13O15	965.4567	NA	PeJP	NA	NA
+MJ098857	Somamide A 	C48H67N7O12S	965.456841	NA	MeJP	NA	NA
+PJ104743	TLLMYYY 	C48H67N7O12S	965.4569	NA	PeJP	NA	NA
+PJ104744	PVVKMMMM 	C41H75N9O9S4	965.4571	NA	PeJP	NA	NA
+PJ104745	SQKMMRW 	C41H67N13O10S2	965.4576	NA	PeJP	NA	NA
+PJ104746	NQQHHFR 	C41H59N17O11	965.458	NA	PeJP	NA	NA
+PJ104747	GGGAQHHFR 	C41H59N17O11	965.4581	NA	PeJP	NA	NA
+PJ104748	PPLMHWW 	C49H63N11O8S	965.4582	NA	PeJP	NA	NA
+PJ104749	SSTQKEMR 	C37H67N13O15S	965.4601	NA	PeJP	NA	NA
+PJ104750	GSTTTKWW 	C45H63N11O13	965.4607	NA	PeJP	NA	NA
+PJ104751	LEMMMRR 	C38H71N13O10S3	965.4609	NA	PeJP	NA	NA
+PJ104752	GGGVKMMMR 	C38H71N13O10S3	965.461	NA	PeJP	NA	NA
+PJ104753	CNDFRRR 	C38H63N17O11S	965.4614	NA	PeJP	NA	NA
+PJ104754	GKKMMWW 	C46H67N11O8S2	965.4616	NA	PeJP	NA	NA
+PJ104755	GPQHRWW 	C46H59N15O9	965.4621	NA	PeJP	NA	NA
+PJ104756	GSTKKEMW 	C42H67N11O13S	965.4641	NA	PeJP	NA	NA
+PJ104757	GLLEYWW 	C50H63N9O11	965.4647	NA	PeJP	NA	NA
+PJ104758	GAPLEFFW 	C50H63N9O11	965.4648	NA	PeJP	NA	NA
+PJ104759	VLMMMRW 	C43H71N11O8S3	965.465	NA	PeJP	NA	NA
+PJ104760	GNMFRRW 	C43H63N15O9S	965.4654	NA	PeJP	NA	NA
+PJ104761	GSSTTKKEE 	C38H67N11O18	965.4666	NA	PeJP	NA	NA
+PJ104762	SSLLEMMR 	C39H71N11O13S2	965.4675	NA	PeJP	NA	NA
+PJ104763	SSSSTRRW 	C39H63N15O14	965.4679	NA	PeJP	NA	NA
+PJ104764	GGGGGGASKRY 	C39H63N15O14	965.468	NA	PeJP	NA	NA
+MJ098858	Cycloleonuripeptide A; S-Oxide (1) 	C47H67N9O11S	965.468074	NA	MeJP	NA	NA
+MJ098859	Cycloleonuripeptide A; S-Oxide(2) 	C47H67N9O11S	965.468074	NA	MeJP	NA	NA
+PJ104765	PLKEMYW 	C47H67N9O11S	965.4681	NA	PeJP	NA	NA
+PJ104766	SCKMRRW 	C40H67N15O9S2	965.4688	NA	PeJP	NA	NA
+PJ104767	DKHHHHR 	C40H59N19O10	965.4693	NA	PeJP	NA	NA
+PJ104768	GVLKEEEY 	C43H67N9O16	965.4706	NA	PeJP	NA	NA
+7757	antioxidant from grass carp muscle	PSKYEPFV	965.471	antioxidative	Inhouse_peptide	NA	peptide
+8126	peptide derived from grass carp muscle (Ctenopharyngodon idellus)	PSKYEPFV	965.471	anticancer	Inhouse_peptide	NA	peptide
+PJ104769	SSSDKMRR 	C36H67N15O14S	965.4713	NA	PeJP	NA	NA
+PJ104770	ATTLLMMW 	C44H71N9O11S2	965.4715	NA	PeJP	NA	NA
+PJ104771	ANKERYW 	C44H63N13O12	965.4719	NA	PeJP	NA	NA
+PJ104772	GQKERYW 	C44H63N13O12	965.472	NA	PeJP	NA	NA
+PJ104773	VLMFFFY 	C52H67N7O9S	965.4721	NA	PeJP	NA	NA
+PJ104774	NKMMMRR 	C37H71N15O9S3	965.4722	NA	PeJP	NA	NA
+PJ104775	PPHHHRW 	C45H59N17O8	965.4733	NA	PeJP	NA	NA
+PJ104776	SSSSLLLEM 	C40H71N9O16S	965.474	NA	PeJP	NA	NA
+PJ104777	ALLKEMMM 	C41H75N9O11S3	965.4749	NA	PeJP	NA	NA
+PJ104778	GSTTKMRW 	C41H67N13O12S	965.4753	NA	PeJP	NA	NA
+PJ104779	GGGGGGAKKMF 	C41H67N13O12S	965.4754	NA	PeJP	NA	NA
+PJ104780	GVQKYWW 	C49H63N11O10	965.476	NA	PeJP	NA	NA
+PJ104781	GSSTTTKER 	C37H67N13O17	965.4778	NA	PeJP	NA	NA
+PJ104782	GSKKEMMR 	C38H71N13O12S2	965.4787	NA	PeJP	NA	NA
+PJ104783	SNDRRRY 	C38H63N17O13	965.4792	NA	PeJP	NA	NA
+PJ104784	STKKMWW 	C46H67N11O10S	965.4793	NA	PeJP	NA	NA
+PJ104785	GGPKKMYW 	C46H67N11O10S	965.4794	NA	PeJP	NA	NA
+PJ104786	LLYWWW 	C54H63N9O8	965.48	NA	PeJP	NA	NA
+PJ104787	SHHHHRR 	C39H59N21O9	965.4805	NA	PeJP	NA	NA
+PJ104788	SSTTKKEW 	C42H67N11O15	965.4818	NA	PeJP	NA	NA
+PJ104789	GSLLEERY 	C42H67N11O15	965.4819	NA	PeJP	NA	NA
+PJ104790	SSSSMRRR 	C35H67N17O13S	965.4825	NA	PeJP	NA	NA
+PJ104791	DKKKMMW 	C43H71N11O10S2	965.4827	NA	PeJP	NA	NA
+PJ104792	GTQRRYW 	C43H63N15O11	965.4832	NA	PeJP	NA	NA
+PJ104793	ALLMFWW 	C51H67N9O8S	965.4834	NA	PeJP	NA	NA
+PJ104794	SSKKKEEM 	C39H71N11O15S	965.4852	NA	PeJP	NA	NA
+PJ104795	VLKEEYW 	C47H67N9O13	965.4859	NA	PeJP	NA	NA
+PJ104796	ATLLMMMR 	C40H75N11O10S3	965.4861	NA	PeJP	NA	NA
+PJ104797	VNQMRRY 	C40H67N15O11S	965.4866	NA	PeJP	NA	NA
+PJ104798	QKRYWW 	C48H63N13O9	965.4872	NA	PeJP	NA	NA
+PJ104799	SSSSSSLRR 	C36H67N15O16	965.489	NA	PeJP	NA	NA
+PJ104800	GSSTTTTRR 	C36H67N15O16	965.4891	NA	PeJP	NA	NA
+PJ104801	TTTTLLMW 	C44H71N9O13S	965.4892	NA	PeJP	NA	NA
+PJ104802	GGALLLEMY 	C44H71N9O13S	965.4893	NA	PeJP	NA	NA
+PJ104803	VVLFYYY 	C52H67N7O11	965.4899	NA	PeJP	NA	NA
+PJ104804	NQQQHRR 	C37H63N19O12	965.4904	NA	PeJP	NA	NA
+PJ104805	AQKMFRW 	C45H67N13O9S	965.4906	NA	PeJP	NA	NA
+PJ104806	STTTTTLLE 	C40H71N9O18	965.4917	NA	PeJP	NA	NA
+PJ104807	TTLLKEMM 	C41H75N9O13S2	965.4926	NA	PeJP	NA	NA
+PJ104808	SSTTTKRW 	C41H67N13O14	965.4931	NA	PeJP	NA	NA
+PJ104809	SKKMMRW 	C42H71N13O9S2	965.4939	NA	PeJP	NA	NA
+PJ104810	PLMMRRY 	C42H71N13O9S2	965.494	NA	PeJP	NA	NA
+PJ104811	SPQHRRW 	C42H63N17O10	965.4944	NA	PeJP	NA	NA
+PJ104812	SSTKKEMR 	C38H71N13O14S	965.4964	NA	PeJP	NA	NA
+PJ104813	STTDKKMR 	C38H71N13O14S	965.4965	NA	PeJP	NA	NA
+PJ104814	SLLERYW 	C46H67N11O12	965.4971	NA	PeJP	NA	NA
+PJ104815	AAKKMMMR 	C39H75N13O9S3	965.4973	NA	PeJP	NA	NA
+PJ104816	GQMRRRY 	C39H67N17O10S	965.4978	NA	PeJP	NA	NA
+PJ104817	GPKHRWW 	C47H63N15O8	965.4985	NA	PeJP	NA	NA
+PJ104818	SSSLKKMW 	C43H71N11O12S	965.5005	NA	PeJP	NA	NA
+PJ104819	SVLLYWW 	C51H67N9O10	965.5011	NA	PeJP	NA	NA
+PJ104820	NNNHRRR 	C36H63N21O11	965.5016	NA	PeJP	NA	NA
+PJ104821	GGGGNHRRR 	C36H63N21O11	965.5017	NA	PeJP	NA	NA
+PJ104822	ACKFRRW 	C44H67N15O8S	965.5018	NA	PeJP	NA	NA
+PJ104823	SSSSTLKKE 	C39H71N11O17	965.503	NA	PeJP	NA	NA
+PJ104824	TTTLLMMR 	C40H75N11O12S2	965.5038	NA	PeJP	NA	NA
+PJ104825	ATKKKEMM 	C40H75N11O12S2	965.5039	NA	PeJP	NA	NA
+PJ104826	SQKERRY 	C40H67N15O13	965.5043	NA	PeJP	NA	NA
+PJ104827	GGGGGGAAPPLR 	C40H67N15O13	965.5044	NA	PeJP	NA	NA
+PJ104828	LLLQMYW 	C48H71N9O10S	965.5045	NA	PeJP	NA	NA
+PJ104829	VLFFFFF 	C56H67N7O8	965.5052	NA	PeJP	NA	NA
+PJ104830	ATLLKEEY 	C44H71N9O15	965.507	NA	PeJP	NA	NA
+PJ104831	SSTTKMRR 	C37H71N15O13S	965.5077	NA	PeJP	NA	NA
+2895	neuropeptide from eyestalk of Macrobrachium rosenb	DRNFLRF~	965.5078	antibacterial	Inhouse_peptide	NA	peptide
+PJ104832	APLLKMMY 	C45H75N9O10S2	965.5079	NA	PeJP	NA	NA
+PJ104833	GKKERYW 	C45H67N13O11	965.5083	NA	PeJP	NA	NA
+PJ104834	GPPPKERW 	C45H67N13O11	965.5084	NA	PeJP	NA	NA
+PJ104835	GCRRRRY 	C38H67N19O9S	965.509	NA	PeJP	NA	NA
+PJ104836	SSTTTLLLM 	C41H75N9O15S	965.5104	NA	PeJP	NA	NA
+PJ104837	SLLLKMMM 	C42H79N9O10S3	965.5112	NA	PeJP	NA	NA
+PJ104838	VLEMRRY 	C42H71N13O11S	965.5117	NA	PeJP	NA	NA
+PJ104839	GVKKYWW 	C50H67N11O9	965.5124	NA	PeJP	NA	NA
+PJ104840	SSSSTTLKR 	C38H71N13O16	965.5142	NA	PeJP	NA	NA
+PJ104841	ATTKKMMR 	C39H75N13O11S2	965.5151	NA	PeJP	NA	NA
+PJ104842	STQRRRY 	C39H67N17O12	965.5155	NA	PeJP	NA	NA
+PJ104843	GGTTRRRY 	C39H67N17O12	965.5156	NA	PeJP	NA	NA
+PJ104844	VVLMRYW 	C47H71N11O9S	965.5157	NA	PeJP	NA	NA
+PJ104845	TTTTTKKW 	C43H71N11O14	965.5182	NA	PeJP	NA	NA
+PJ104846	GGVLLLEEH 	C43H71N11O14	965.5183	NA	PeJP	NA	NA
+PJ104847	GVLLMMFR 	C44H75N11O9S2	965.5191	NA	PeJP	NA	NA
+PJ104848	GTKRRYW 	C44H67N15O10	965.5196	NA	PeJP	NA	NA
+PJ104849	TTTKKKEM 	C40H75N11O14S	965.5216	NA	PeJP	NA	NA
+PJ104850	GTTLLLYW 	C48H71N9O12	965.5223	NA	PeJP	NA	NA
+PJ104851	GLKKKMMM 	C41H79N11O9S3	965.5225	NA	PeJP	NA	NA
+PJ104852	VNKMRRY 	C41H71N15O10S	965.5229	NA	PeJP	NA	NA
+PJ104853	GGVKMRRY 	C41H71N15O10S	965.523	NA	PeJP	NA	NA
+PJ104854	KKRYWW 	C49H67N13O8	965.5236	NA	PeJP	NA	NA
+PJ104855	GLLLKEMY 	C45H75N9O12S	965.5256	NA	PeJP	NA	NA
+PJ104856	VNEHRRR 	C38H67N19O11	965.5268	NA	PeJP	NA	NA
+PJ104857	AKKMFRW 	C46H71N13O8S	965.527	NA	PeJP	NA	NA
+PJ104858	DKKKERY 	C42H71N13O13	965.5295	NA	PeJP	NA	NA
+PJ104859	LLMMFRR 	C43H75N13O8S2	965.5303	NA	PeJP	NA	NA
+PJ104860	SPKHRRW 	C43H67N17O9	965.5308	NA	PeJP	NA	NA
+PJ104861	TTTTKKMR 	C39H75N13O13S	965.5328	NA	PeJP	NA	NA
+PJ104862	VDKKKYW 	C47H71N11O11	965.5335	NA	PeJP	NA	NA
+PJ104863	GKMRRRY 	C40H71N17O9S	965.5342	NA	PeJP	NA	NA
+PJ104864	GTLLLMRY 	C44H75N11O11S	965.5369	NA	PeJP	NA	NA
+PJ104865	PLLKFYW 	C52H71N9O9	965.5375	NA	PeJP	NA	NA
+PJ104866	GEHRRRR 	C37H67N21O10	965.538	NA	PeJP	NA	NA
+PJ104867	SSTTTTLKK 	C40H75N11O16	965.5393	NA	PeJP	NA	NA
+PJ104868	STLKKKMM 	C41H79N11O11S2	965.5402	NA	PeJP	NA	NA
+PJ104869	SKKERRY 	C41H71N15O12	965.5407	NA	PeJP	NA	NA
+PJ104870	LLLKMYW 	C49H75N9O9S	965.5409	NA	PeJP	NA	NA
+PJ104871	GVHRRRW 	C42H67N19O8	965.5421	NA	PeJP	NA	NA
+PJ104872	STLLLKEY 	C45H75N9O14	965.5434	NA	PeJP	NA	NA
+PJ104873	ALLLKMMF 	C46H79N9O9S2	965.5443	NA	PeJP	NA	NA
+PJ104874	SVKKRYW 	C46H71N13O10	965.5447	NA	PeJP	NA	NA
+PJ104875	LQKKMRY 	C43H75N13O10S	965.5481	NA	PeJP	NA	NA
+PJ104876	VLLLHWW 	C51H71N11O8	965.5488	NA	PeJP	NA	NA
+PJ104877	SSSSSKKKK 	C39H75N13O15	965.5506	NA	PeJP	NA	NA
+PJ104878	TCCKKKKK 	C40H79N13O10S2	965.5515	NA	PeJP	NA	NA
+PJ104879	STKRRRY 	C40H71N17O11	965.5519	NA	PeJP	NA	NA
+PJ104880	GPPVERRR 	C40H71N17O11	965.552	NA	PeJP	NA	NA
+PJ104881	VKKKMFW 	C48H75N11O8S	965.5521	NA	PeJP	NA	NA
+PJ104882	HRRRRW 	C41H67N21O7	965.5533	NA	PeJP	NA	NA
+PJ104883	STTLLLRY 	C44H75N11O13	965.5546	NA	PeJP	NA	NA
+PJ104884	AAPPLRRW 	C45H71N15O9	965.556	NA	PeJP	NA	NA
+PJ104885	GPLLLKYY 	C49H75N9O11	965.5586	NA	PeJP	NA	NA
+PJ104886	PPVLLLEW 	C49H75N9O11	965.5587	NA	PeJP	NA	NA
+PJ104887	CLKKRRY 	C42H75N15O9S	965.5593	NA	PeJP	NA	NA
+PJ104888	SVLLLKMY 	C46H79N9O11S	965.562	NA	PeJP	NA	NA
+PJ104889	PPERRRR 	C39H71N19O10	965.5632	NA	PeJP	NA	NA
+PJ104890	GTTLKKRY 	C43H75N13O12	965.5659	NA	PeJP	NA	NA
+PJ104891	PPVRRRW 	C44H71N17O8	965.5672	NA	PeJP	NA	NA
+PJ104892	TLKKKYW 	C48H75N11O10	965.5699	NA	PeJP	NA	NA
+PJ104893	GVLKKKMY 	C45H79N11O10S	965.5733	NA	PeJP	NA	NA
+PJ104894	LLLKFFW 	C53H75N9O8	965.5739	NA	PeJP	NA	NA
+PJ104895	SVHRRRR 	C38H71N21O9	965.5744	NA	PeJP	NA	NA
+PJ104896	APPLKERR 	C42H75N15O11	965.5771	NA	PeJP	NA	NA
+PJ104897	APPTLLLLE 	C46H79N9O13	965.5798	NA	PeJP	NA	NA
+PJ104898	GPPLLKRW 	C47H75N13O9	965.5811	NA	PeJP	NA	NA
+PJ104899	LKKKMRY 	C44H79N13O9S	965.5845	NA	PeJP	NA	NA
+PJ104900	APPTLRRR 	C41H75N17O10	965.5883	NA	PeJP	NA	NA
+PJ104901	SSLLKKKY 	C45H79N11O12	965.591	NA	PeJP	NA	NA
+PJ104902	VLKKHRW 	C46H75N15O8	965.5923	NA	PeJP	NA	NA
+PJ104903	GLLLLKFY 	C50H79N9O10	965.595	NA	PeJP	NA	NA
+PJ104904	GPPLLLLLM 	C47H83N9O10S	965.5984	NA	PeJP	NA	NA
+PJ104905	TLKHRRR 	C40H75N19O9	965.5996	NA	PeJP	NA	NA
+PJ104906	GSKKKKKY 	C44H79N13O11	965.6022	NA	PeJP	NA	NA
+PJ104907	PPVLKKER 	C44H79N13O11	965.6023	NA	PeJP	NA	NA
+PJ104908	PPVVLKKW 	C49H79N11O9	965.6063	NA	PeJP	NA	NA
+PJ104909	VLLLLKMH 	C46H83N11O9S	965.6096	NA	PeJP	NA	NA
+PJ104910	SPPLLKRR 	C43H79N15O10	965.6135	NA	PeJP	NA	NA
+PJ104911	GPVLLLLLE 	C47H83N9O12	965.6162	NA	PeJP	NA	NA
+PJ104912	LKKKFFR 	C48H79N13O8	965.6175	NA	PeJP	NA	NA
+PJ104913	GPVLLRRR 	C42H79N17O9	965.6247	NA	PeJP	NA	NA
+PJ104914	PLLLLLER 	C46H83N11O11	965.6274	NA	PeJP	NA	NA
+PJ104915	PVLLLLLW 	C51H83N9O9	965.6314	NA	PeJP	NA	NA
+PJ104916	PLLRRRR 	C41H79N19O8	965.636	NA	PeJP	NA	NA
+PJ104917	PVLLLQKR 	C45H83N13O10	965.6386	NA	PeJP	NA	NA
+PJ104918	APLLLKRR 	C44H83N15O9	965.6499	NA	PeJP	NA	NA
+PJ104919	APTLLLLLL 	C48H87N9O11	965.6525	NA	PeJP	NA	NA
+PJ104920	PVVVTLLLL 	C48H87N9O11	965.6526	NA	PeJP	NA	NA
+PJ104921	AAPLLLLKK 	C47H87N11O10	965.6638	NA	PeJP	NA	NA
+PJ104922	PVLLLKKR 	C46H87N13O9	965.675	NA	PeJP	NA	NA
+PJ104923	GVLLLLLLL 	C49H91N9O10	965.6889	NA	PeJP	NA	NA
+PJ104924	LLLLLLLR 	C48H91N11O9	965.7002	NA	PeJP	NA	NA
+7423	coeliac toxic peptide	PQPFRPQQPYPQPQPQ	965.972	MH2+	Inhouse_peptide	NA	peptide
+MJ098860	Rhoipteleanin H 	C42H30O27	966.097445	NA	MeJP	NA	NA
+MJ098861	Thalistine; O5-Me ether, N2,N2'-di-Me, diiodide 	C42H52I2N2O8	966.181303	NA	MeJP	NA	NA
+PJ104925	SCCCCCCNE 	C30H50N10O14S6	966.1833	NA	PeJP	NA	NA
+PJ104926	GSCCCCCCW 	C34H50N10O11S6	966.1985	NA	PeJP	NA	NA
+PJ104927	GSSSCCCCCD 	C30H50N10O16S5	966.201	NA	PeJP	NA	NA
+PJ104928	GCCCCCNMM 	C31H54N10O11S7	966.2019	NA	PeJP	NA	NA
+PJ104929	ACCCCCCCR 	C30H54N12O10S7	966.2131	NA	PeJP	NA	NA
+PJ104930	GCCCCCNDF 	C34H50N10O13S5	966.2163	NA	PeJP	NA	NA
+PJ104931	SSCCCCCQM 	C31H54N10O13S6	966.2196	NA	PeJP	NA	NA
+PJ104932	GGSTCCCCCM 	C31H54N10O13S6	966.2197	NA	PeJP	NA	NA
+MJ098862	Pradimicin L; 17-Hydroxy, 3B-O-sulfate 	C41H46N2O23S	966.221206	NA	MeJP	NA	NA
+PJ104933	CCCDDDMY 	C35H50N8O16S4	966.2228	NA	PeJP	NA	NA
+PJ104934	CCCDMMMM 	C33H58N8O11S7	966.227	NA	PeJP	NA	NA
+PJ104935	SSCCCCCCR 	C30H54N12O12S6	966.2309	NA	PeJP	NA	NA
+PJ104936	GSCCCCNDY 	C34H50N10O15S4	966.234	NA	PeJP	NA	NA
+PJ104937	GSSSSCCCCM 	C31H54N10O15S5	966.2374	NA	PeJP	NA	NA
+PJ104938	ACCCCCCKM 	C32H58N10O10S7	966.2383	NA	PeJP	NA	NA
+PJ104939	CCCDDMMF 	C36H54N8O13S5	966.2414	NA	PeJP	NA	NA
+PJ104940	CCCCMMHH 	C34H54N12O9S6	966.2461	NA	PeJP	NA	NA
+PJ104941	CCDDDEMH 	C34H50N10O17S3	966.2518	NA	PeJP	NA	NA
+PJ104942	CCCCNQMY 	C35H54N10O12S5	966.2527	NA	PeJP	NA	NA
+PJ104943	SSSSSTCCCC 	C31H54N10O17S4	966.2552	NA	PeJP	NA	NA
+PJ104944	CCCDDDFF 	C39H50N8O15S3	966.2558	NA	PeJP	NA	NA
+PJ104945	SSCCCCCKM 	C32H58N10O12S6	966.256	NA	PeJP	NA	NA
+PJ104946	GCCCCNNNH 	C32H50N14O13S4	966.2565	NA	PeJP	NA	NA
+PJ104947	DDDDDDEE 	C34H46N8O25	966.2575	NA	PeJP	NA	NA
+MJ098863	Stenopalustroside E 	C50H46O20	966.258243	NA	MeJP	NA	NA
+PJ104948	SCCDDMMY 	C36H54N8O15S4	966.2592	NA	PeJP	NA	NA
+PJ104949	CCCCDHHF 	C37H50N12O11S4	966.2605	NA	PeJP	NA	NA
+PJ104950	GSCCCNDEH 	C33H50N12O16S3	966.263	NA	PeJP	NA	NA
+PJ104951	SCCMMMMM 	C34H62N8O10S7	966.2634	NA	PeJP	NA	NA
+PJ104952	CCCCCNRY 	C34H54N12O11S5	966.2639	NA	PeJP	NA	NA
+PJ104953	GSNDDDDDD 	C33H46N10O24	966.2687	NA	PeJP	NA	NA
+PJ104954	GPCCNDDDE 	C34H50N10O19S2	966.2696	NA	PeJP	NA	NA
+PJ104955	GSSCCCNMY 	C35H54N10O14S4	966.2704	NA	PeJP	NA	NA
+PJ104956	GCCDDEYY 	C39H50N8O17S2	966.2736	NA	PeJP	NA	NA
+PJ104957	PCCCCEFY 	C40H54N8O12S4	966.2744	NA	PeJP	NA	NA
+PJ104958	GCCEMMMY 	C37H58N8O12S5	966.2778	NA	PeJP	NA	NA
+PJ104959	SCCCNDHW 	C37H50N12O13S3	966.2783	NA	PeJP	NA	NA
+MJ098864	Sucrose; 1'-O-(4-Hydroxy-E-cinnamoyl), 3',6'-bis-O-(4-hydroxy-3-methoxy-E-cinnamoyl), 2,4,6-tri-Ac 	C47H50O22	966.279373	NA	MeJP	NA	NA
+PJ104960	SSSCCNDDH 	C33H50N12O18S2	966.2808	NA	PeJP	NA	NA
+PJ104961	CCCNQEMH 	C34H54N12O13S4	966.2816	NA	PeJP	NA	NA
+PJ104962	CCNNDMMH 	C34H54N12O13S4	966.2817	NA	PeJP	NA	NA
+PJ104963	PCCNDDDW 	C38H50N10O16S2	966.2848	NA	PeJP	NA	NA
+MJ098865	Neapolitanose; ?-Pyranose-form, Undeca-Ac 	C40H54O27	966.285246	NA	MeJP	NA	NA
+PJ104964	CCCCNQFF 	C39H54N10O11S4	966.2857	NA	PeJP	NA	NA
+PJ104965	NNDDDDEM 	C34H50N10O21S	966.2873	NA	PeJP	NA	NA
+PJ104966	SSSSCCCQY 	C35H54N10O16S3	966.2882	NA	PeJP	NA	NA
+PJ104967	CCDDYYW 	C43H50N8O14S2	966.2888	NA	PeJP	NA	NA
+PJ104968	CCCCNKMY 	C36H58N10O11S5	966.289	NA	PeJP	NA	NA
+PJ104969	GGCCCCKMY 	C36H58N10O11S5	966.2891	NA	PeJP	NA	NA
+PJ104970	SSCDDDYY 	C39H50N8O19S	966.2913	NA	PeJP	NA	NA
+PJ104971	GCCNNNNND 	C32H50N14O17S2	966.292	NA	PeJP	NA	NA
+PJ104972	GGGGGGGGGGGCCD 	C32H50N14O17S2	966.2921	NA	PeJP	NA	NA
+PJ104973	SPCCCEYY 	C40H54N8O14S3	966.2922	NA	PeJP	NA	NA
+PJ104974	CCCCNEHR 	C33H54N14O12S4	966.2929	NA	PeJP	NA	NA
+PJ104975	CCMMMYW 	C41H58N8O9S5	966.2931	NA	PeJP	NA	NA
+PJ104976	SDDDEEEE 	C35H50N8O24	966.2938	NA	PeJP	NA	NA
+PJ104977	PDDDDEMM 	C36H54N8O19S2	966.2947	NA	PeJP	NA	NA
+PJ104978	SSCDMMMY 	C37H58N8O14S4	966.2956	NA	PeJP	NA	NA
+PJ104979	CCNNDDHF 	C37H50N12O15S2	966.296	NA	PeJP	NA	NA
+PJ104980	GGCCNDDHF 	C37H50N12O15S2	966.2961	NA	PeJP	NA	NA
+PJ104981	ACCMMMMF 	C38H62N8O9S6	966.2964	NA	PeJP	NA	NA
+PJ104982	GCCCQMHW 	C38H54N12O10S4	966.2969	NA	PeJP	NA	NA
+PJ104983	GSCNNNDDE 	C33H50N12O20S	966.2985	NA	PeJP	NA	NA
+PJ104984	CNDDDDDR 	C33H50N12O20S	966.2986	NA	PeJP	NA	NA
+PJ104985	GSSCCNEMH 	C34H54N12O15S3	966.2994	NA	PeJP	NA	NA
+PJ104986	APCCCCCKH 	C35H58N12O10S5	966.3003	NA	PeJP	NA	NA
+PJ104987	CCCNNHHH 	C35H50N16O11S3	966.3008	NA	PeJP	NA	NA
+PJ104988	GNDDDDMW 	C38H50N10O18S	966.3026	NA	PeJP	NA	NA
+PJ104989	GSPPCCCDW 	C39H54N10O13S3	966.3034	NA	PeJP	NA	NA
+PJ104990	GSSNDDDEE 	C34H50N10O23	966.3051	NA	PeJP	NA	NA
+PJ104991	GSSSSSSCCY 	C35H54N10O18S2	966.3059	NA	PeJP	NA	NA
+PJ104992	GGGSPCDDEM 	C35H54N10O18S2	966.306	NA	PeJP	NA	NA
+PJ104993	GSTCCCCKY 	C36H58N10O13S4	966.3068	NA	PeJP	NA	NA
+PJ104994	SCCDEHHH 	C36H50N14O14S2	966.3073	NA	PeJP	NA	NA
+PJ104995	CCDMFYW 	C44H54N8O11S3	966.3074	NA	PeJP	NA	NA
+PJ104996	GCCCCHRW 	C37H54N14O9S4	966.3082	NA	PeJP	NA	NA
+PJ104997	PDDDDDEF 	C39H50N8O21	966.3091	NA	PeJP	NA	NA
+PJ104998	GSCDEMYY 	C40H54N8O16S2	966.31	NA	PeJP	NA	NA
+PJ104999	GSSCCCDHR 	C33H54N14O14S3	966.3107	NA	PeJP	NA	NA
+PJ105000	GPCCMMYY 	C41H58N8O11S4	966.3108	NA	PeJP	NA	NA
+PJ105001	GDEEEEEM 	C36H54N8O21S	966.3125	NA	PeJP	NA	NA
+PJ105002	SCNNNDDW 	C37H50N12O17S	966.3138	NA	PeJP	NA	NA
+PJ105003	GTCMMMMY 	C38H62N8O11S5	966.3142	NA	PeJP	NA	NA
+PJ105004	SSCCNMHW 	C38H54N12O12S3	966.3147	NA	PeJP	NA	NA
+PJ105005	SSSNNNDDD 	C33H50N12O22	966.3163	NA	PeJP	NA	NA
+PJ105006	GSPCCDDDR 	C34H54N12O17S2	966.3172	NA	PeJP	NA	NA
+PJ105007	CNDDEWW 	C42H50N10O15S	966.3178	NA	PeJP	NA	NA
+PJ105008	APPCCCCDR 	C35H58N12O12S4	966.318	NA	PeJP	NA	NA
+PJ105009	GPPCCCCER 	C35H58N12O12S4	966.3181	NA	PeJP	NA	NA
+PJ105010	SSNDDDEW 	C38H50N10O20	966.3203	NA	PeJP	NA	NA
+PJ105011	SPCNDDMW 	C39H54N10O15S2	966.3212	NA	PeJP	NA	NA
+PJ105012	CEMMMHW 	C40H58N10O10S4	966.3221	NA	PeJP	NA	NA
+PJ105013	SNNDEEEM 	C35H54N10O20S	966.3237	NA	PeJP	NA	NA
+PJ105014	NDDDYYY 	C43H50N8O18	966.3243	NA	PeJP	NA	NA
+PJ105015	SSSSCCCKY 	C36H58N10O15S3	966.3246	NA	PeJP	NA	NA
+PJ105016	SCDMYYW 	C44H54N8O13S2	966.3252	NA	PeJP	NA	NA
+PJ105017	SPCMMMMH 	C37H62N10O10S5	966.3254	NA	PeJP	NA	NA
+PJ105018	GCDMMHHH 	C37H54N14O11S3	966.3259	NA	PeJP	NA	NA
+PJ105019	CCMMFFW 	C45H58N8O8S4	966.3261	NA	PeJP	NA	NA
+PJ105020	DEEEEMW 	C40H54N8O18S	966.3277	NA	PeJP	NA	NA
+PJ105021	CCNNNDER 	C33H54N14O16S2	966.3284	NA	PeJP	NA	NA
+PJ105022	NDMMMYY 	C41H58N8O13S3	966.3286	NA	PeJP	NA	NA
+PJ105023	SCCCQMHR 	C34H58N14O11S4	966.3293	NA	PeJP	NA	NA
+PJ105024	ACCCHHFF 	C42H54N12O9S3	966.3299	NA	PeJP	NA	NA
+PJ105025	SSEEEEEE 	C36H54N8O23	966.3302	NA	PeJP	NA	NA
+PJ105026	SPDEEEMM 	C37H58N8O18S2	966.3311	NA	PeJP	NA	NA
+PJ105027	NNNNDDDF 	C37H50N12O19	966.3316	NA	PeJP	NA	NA
+PJ105028	SSSMMMMY 	C38H62N8O13S4	966.3319	NA	PeJP	NA	NA
+PJ105029	PPDDMMMM 	C38H62N8O13S4	966.332	NA	PeJP	NA	NA
+PJ105030	GSSSTCCHW 	C38H54N12O14S2	966.3324	NA	PeJP	NA	NA
+PJ105031	GGGGGGGCEMW 	C38H54N12O14S2	966.3325	NA	PeJP	NA	NA
+PJ105032	GCDDWWW 	C46H50N10O12S	966.3331	NA	PeJP	NA	NA
+PJ105033	PPCCCCRW 	C39H58N12O9S4	966.3333	NA	PeJP	NA	NA
+PJ105034	SNDDDDMR 	C34H54N12O19S	966.3349	NA	PeJP	NA	NA
+PJ105035	GGGGGGGSSDEM 	C34H54N12O19S	966.335	NA	PeJP	NA	NA
+PJ105036	GSSDDDWW 	C42H50N10O17	966.3356	NA	PeJP	NA	NA
+PJ105037	PCCNDEMR 	C35H58N12O14S3	966.3358	NA	PeJP	NA	NA
+PJ105038	CNNNNDHH 	C35H50N16O15S	966.3363	NA	PeJP	NA	NA
+PJ105039	ASPCCDWW 	C43H54N10O12S2	966.3364	NA	PeJP	NA	NA
+PJ105040	GSPCCEWW 	C43H54N10O12S2	966.3365	NA	PeJP	NA	NA
+PJ105041	SVCNDDEW 	C39H54N10O17S	966.3389	NA	PeJP	NA	NA
+PJ105042	GSNDEEMW 	C39H54N10O17S	966.339	NA	PeJP	NA	NA
+PJ105043	GPCNEMMW 	C40H58N10O12S3	966.3398	NA	PeJP	NA	NA
+PJ105044	GCDDHHHF 	C40H50N14O13S	966.3403	NA	PeJP	NA	NA
+PJ105045	CCDFFFW 	C48H54N8O10S2	966.3405	NA	PeJP	NA	NA
+PJ105046	ASSSNDEEE 	C35H54N10O22	966.3414	NA	PeJP	NA	NA
+PJ105047	GSSSNEEEE 	C35H54N10O22	966.3415	NA	PeJP	NA	NA
+PJ105048	GNQEEEMM 	C36H58N10O17S2	966.3423	NA	PeJP	NA	NA
+PJ105049	SNNDDEHH 	C36H50N14O18	966.3428	NA	PeJP	NA	NA
+PJ105050	GSPCDYYY 	C44H54N8O15S	966.343	NA	PeJP	NA	NA
+PJ105051	GTEMMMMH 	C37H62N10O12S4	966.3432	NA	PeJP	NA	NA
+PJ105052	GCCNNDRW 	C37H54N14O13S2	966.3437	NA	PeJP	NA	NA
+PJ105053	ACMMYYW 	C45H58N8O10S3	966.3438	NA	PeJP	NA	NA
+PJ105054	GCCHHHHH 	C38H50N18O9S2	966.345	NA	PeJP	NA	NA
+PJ105055	GPDEEEEY 	C40H54N8O20	966.3455	NA	PeJP	NA	NA
+PJ105056	SSSCNNNNQ 	C33H54N14O18S	966.3461	NA	PeJP	NA	NA
+PJ105057	GSSCNNDDR 	C33H54N14O18S	966.3462	NA	PeJP	NA	NA
+PJ105058	GSSEMMYY 	C41H58N8O15S2	966.3463	NA	PeJP	NA	NA
+PJ105059	PPDDDMMF 	C41H58N8O15S2	966.3464	NA	PeJP	NA	NA
+PJ105060	DDEEHHW 	C41H50N12O16	966.3468	NA	PeJP	NA	NA
+PJ105061	PCCCDDRR 	C34H58N14O13S3	966.347	NA	PeJP	NA	NA
+PJ105062	GGGGGPTCCCR 	C34H58N14O13S3	966.3471	NA	PeJP	NA	NA
+PJ105063	NMMMMFY 	C42H62N8O10S4	966.3472	NA	PeJP	NA	NA
+PJ105064	CNNNMWW 	C42H54N12O11S2	966.3477	NA	PeJP	NA	NA
+PJ105065	ATEEEEEM 	C37H58N8O20S	966.3488	NA	PeJP	NA	NA
+PJ105066	SVDEEEEM 	C37H58N8O20S	966.3489	NA	PeJP	NA	NA
+PJ105067	APEEEMMM 	C38H62N8O15S3	966.3497	NA	PeJP	NA	NA
+PJ105068	GSCDDERW 	C38H54N12O16S	966.3502	NA	PeJP	NA	NA
+PJ105069	GPCCDMRW 	C39H58N12O11S3	966.3511	NA	PeJP	NA	NA
+PJ105070	SPCCWWW 	C47H54N10O9S2	966.3517	NA	PeJP	NA	NA
+PJ105071	GSSSDDDER 	C34H54N12O21	966.3527	NA	PeJP	NA	NA
+PJ105072	SSSSSNMMH 	C35H58N12O16S2	966.3535	NA	PeJP	NA	NA
+PJ105073	GNDDEMMR 	C35H58N12O16S2	966.3536	NA	PeJP	NA	NA
+PJ105074	SNDEMWW 	C43H54N10O14S	966.3542	NA	PeJP	NA	NA
+PJ105075	GPPTCCCMR 	C36H62N12O11S4	966.3544	NA	PeJP	NA	NA
+PJ105076	PCNMMWW 	C44H58N10O9S3	966.3551	NA	PeJP	NA	NA
+PJ105077	SSSNEEEW 	C39H54N10O19	966.3567	NA	PeJP	NA	NA
+PJ105078	NQEEMMW 	C40H58N10O14S2	966.3576	NA	PeJP	NA	NA
+PJ105079	GSNDDHHW 	C40H50N14O15	966.3581	NA	PeJP	NA	NA
+PJ105080	GCEFYYW 	C48H54N8O12S	966.3582	NA	PeJP	NA	NA
+PJ105081	TMMMMHW 	C41H62N10O9S4	966.3584	NA	PeJP	NA	NA
+PJ105082	PPCCCKMW 	C41H62N10O9S4	966.3585	NA	PeJP	NA	NA
+PJ105083	GPCCQHHW 	C41H54N14O10S2	966.3589	NA	PeJP	NA	NA
+PJ105084	SSQQEEEM 	C36H58N10O19S	966.3601	NA	PeJP	NA	NA
+PJ105085	PDEEEYW 	C44H54N8O17	966.3607	NA	PeJP	NA	NA
+PJ105086	STTEMMMH 	C37H62N10O14S3	966.3609	NA	PeJP	NA	NA
+PJ105087	GGGGPTEMMM 	C37H62N10O14S3	966.361	NA	PeJP	NA	NA
+PJ105088	CNNNNNQF 	C37H54N14O15S	966.3614	NA	PeJP	NA	NA
+PJ105089	GGGGGGGGGGCQF 	C37H54N14O15S	966.3615	NA	PeJP	NA	NA
+PJ105090	SSMMYYW 	C45H58N8O12S2	966.3616	NA	PeJP	NA	NA
+PJ105091	GVMMMMMH 	C38H66N10O9S5	966.3618	NA	PeJP	NA	NA
+PJ105092	GCCNMHFR 	C38H58N14O10S3	966.3623	NA	PeJP	NA	NA
+PJ105093	GSSSSSNNNN 	C33H54N14O20	966.3639	NA	PeJP	NA	NA
+PJ105094	SSSTEMYY 	C41H58N8O17S	966.3641	NA	PeJP	NA	NA
+PJ105095	GCDDDMRR 	C34H58N14O15S2	966.3648	NA	PeJP	NA	NA
+PJ105096	TQMMMYY 	C42H62N8O12S3	966.365	NA	PeJP	NA	NA
+PJ105097	SCDDRWW 	C42H54N12O13S	966.3654	NA	PeJP	NA	NA
+PJ105098	GGGGGSTCWW 	C42H54N12O13S	966.3655	NA	PeJP	NA	NA
+PJ105099	SCCCKMHR 	C35H62N14O10S4	966.3657	NA	PeJP	NA	NA
+PJ105100	TTTEEEEE 	C37H58N8O22	966.3666	NA	PeJP	NA	NA
+MJ098866	Thielocin B1 	C53H58O17	966.3674	NA	MeJP	NA	NA
+MJ098867	Thielocin B2 	C53H58O17	966.3674	NA	MeJP	NA	NA
+PJ105101	GLEEEEMM 	C38H62N8O17S2	966.3675	NA	PeJP	NA	NA
+PJ105102	SSSDDDRW 	C38H54N12O18	966.3679	NA	PeJP	NA	NA
+PJ105103	GGGGGSSSSEW 	C38H54N12O18	966.368	NA	PeJP	NA	NA
+PJ105104	PPTEMMMM 	C39H66N8O12S4	966.3683	NA	PeJP	NA	NA
+PJ105105	NDDMMRW 	C39H58N12O13S2	966.3688	NA	PeJP	NA	NA
+PJ105106	GSDMWWW 	C47H54N10O11S	966.3695	NA	PeJP	NA	NA
+PJ105107	PPCCHHHH 	C40H54N16O9S2	966.3702	NA	PeJP	NA	NA
+PJ105108	SSNDEEMR 	C35H58N12O18S	966.3713	NA	PeJP	NA	NA
+PJ105109	GSSNNYYY 	C43H54N10O16	966.3719	NA	PeJP	NA	NA
+PJ105110	GSSSEEWW 	C43H54N10O16	966.372	NA	PeJP	NA	NA
+PJ105111	SPCNEMMR 	C36H62N12O13S3	966.3722	NA	PeJP	NA	NA
+PJ105112	SNNNNMHH 	C36H54N16O14S	966.3726	NA	PeJP	NA	NA
+PJ105113	GCNDEHHR 	C36H54N16O14S	966.3727	NA	PeJP	NA	NA
+PJ105114	GQEMMWW 	C44H58N10O11S2	966.3728	NA	PeJP	NA	NA
+PJ105115	MMMMMHR 	C37H66N12O8S5	966.3731	NA	PeJP	NA	NA
+PJ105116	CFYYWW 	C52H54N8O9S	966.3735	NA	PeJP	NA	NA
+PJ105117	GSTQEEMW 	C40H58N10O16S	966.3753	NA	PeJP	NA	NA
+PJ105118	GGGGAPEEMY 	C40H58N10O16S	966.3754	NA	PeJP	NA	NA
+PJ105119	GSEYYYW 	C48H54N8O14	966.376	NA	PeJP	NA	NA
+PJ105120	GSPQMMMW 	C41H62N10O11S3	966.3762	NA	PeJP	NA	NA
+PJ105121	NNEMHHW 	C41H54N14O12S	966.3767	NA	PeJP	NA	NA
+PJ105122	ACMFFYW 	C49H58N8O9S2	966.3768	NA	PeJP	NA	NA
+PJ105123	GPCCFFFF 	C49H58N8O9S2	966.3769	NA	PeJP	NA	NA
+MJ098868	Micropeptin T20 	C46H59N6O15P	966.377601	NA	MeJP	NA	NA
+PJ105124	GSSSDKEEE 	C36H58N10O21	966.3778	NA	PeJP	NA	NA
+PJ105125	GNKEEEMM 	C37H62N10O16S2	966.3787	NA	PeJP	NA	NA
+PJ105126	GNNNDDRY 	C37H54N14O17	966.3792	NA	PeJP	NA	NA
+PJ105127	AQEMYYY 	C45H58N8O14S	966.3793	NA	PeJP	NA	NA
+PJ105128	PEEEMFW 	C45H58N8O14S	966.3794	NA	PeJP	NA	NA
+PJ105129	SSLMMMMH 	C38H66N10O11S4	966.3796	NA	PeJP	NA	NA
+PJ105130	CCDERRW 	C38H58N14O12S2	966.38	NA	PeJP	NA	NA
+PJ105131	GGGGGSCMRW 	C38H58N14O12S2	966.3801	NA	PeJP	NA	NA
+PJ105132	NMMMFFF 	C46H62N8O9S3	966.3802	NA	PeJP	NA	NA
+PJ105133	GNNDHHHH 	C38H50N18O13	966.3805	NA	PeJP	NA	NA
+PJ105134	CNNHFFW 	C46H54N12O10S	966.3807	NA	PeJP	NA	NA
+PJ105135	APTEEEEY 	C41H58N8O19	966.3819	NA	PeJP	NA	NA
+PJ105136	GSSSNNDMR 	C34H58N14O17S	966.3825	NA	PeJP	NA	NA
+PJ105137	SSCDDERR 	C34H58N14O17S	966.3826	NA	PeJP	NA	NA
+PJ105138	LEEEMMW 	C42H62N8O14S2	966.3827	NA	PeJP	NA	NA
+PJ105139	SSSSNNWW 	C42H54N12O15	966.3832	NA	PeJP	NA	NA
+PJ105140	SPCCDMRR 	C35H62N14O12S3	966.3834	NA	PeJP	NA	NA
+PJ105141	GCEMRWW 	C43H58N12O10S2	966.3841	NA	PeJP	NA	NA
+PJ105142	TCWWWW 	C51H54N10O8S	966.3847	NA	PeJP	NA	NA
+PJ105143	STLEEEEM 	C38H62N8O19S	966.3852	NA	PeJP	NA	NA
+PJ105144	SPLEEMMM 	C39H66N8O14S3	966.3861	NA	PeJP	NA	NA
+PJ105145	GSSDEMRW 	C39H58N12O15S	966.3866	NA	PeJP	NA	NA
+PJ105146	PPVMMMMM 	C40H70N8O9S5	966.387	NA	PeJP	NA	NA
+PJ105147	SSSEWWW 	C47H54N10O13	966.3872	NA	PeJP	NA	NA
+PJ105148	GSPCMMRW 	C40H62N12O10S3	966.3874	NA	PeJP	NA	NA
+PJ105149	GGPPCCMFR 	C40H62N12O10S3	966.3875	NA	PeJP	NA	NA
+PJ105150	CNDHHRW 	C40H54N16O11S	966.3879	NA	PeJP	NA	NA
+PJ105151	QMMWWW 	C48H58N10O8S2	966.3881	NA	PeJP	NA	NA
+PJ105152	SSSSSQQQE 	C35H58N12O20	966.389	NA	PeJP	NA	NA
+PJ105153	GSSSSEEER 	C35H58N12O20	966.3891	NA	PeJP	NA	NA
+PJ105154	GSQEEMMR 	C36H62N12O15S2	966.3899	NA	PeJP	NA	NA
+PJ105155	GDDDKMMR 	C36H62N12O15S2	966.39	NA	PeJP	NA	NA
+PJ105156	SSNDDHHR 	C36H54N16O16	966.3904	NA	PeJP	NA	NA
+PJ105157	GGGGGGGGGGGSPH 	C36H54N16O16	966.3905	NA	PeJP	NA	NA
+PJ105158	STQEMWW 	C44H58N10O13S	966.3906	NA	PeJP	NA	NA
+PJ105159	GPNMMMMR 	C37H66N12O10S4	966.3908	NA	PeJP	NA	NA
+PJ105160	SYYYWW 	C52H54N8O11	966.3912	NA	PeJP	NA	NA
+PJ105161	SPCCQHHR 	C37H58N16O11S2	966.3913	NA	PeJP	NA	NA
+PJ105162	CLMMHFW 	C45H62N10O8S3	966.3915	NA	PeJP	NA	NA
+PJ105163	GNMHHWW 	C45H54N14O9S	966.3919	NA	PeJP	NA	NA
+PJ105164	SSSDKEEW 	C40H58N10O18	966.3931	NA	PeJP	NA	NA
+PJ105165	SSPTQMMW 	C41H62N10O13S2	966.3939	NA	PeJP	NA	NA
+PJ105166	NKEEMMW 	C41H62N10O13S2	966.394	NA	PeJP	NA	NA
+PJ105167	GSSQEHHW 	C41H54N14O14	966.3944	NA	PeJP	NA	NA
+PJ105168	GGGGGPNEHW 	C41H54N14O14	966.3945	NA	PeJP	NA	NA
+PJ105169	AAMYYYW 	C49H58N8O11S	966.3946	NA	PeJP	NA	NA
+PJ105170	GCCNQMRR 	C34H62N16O11S3	966.3947	NA	PeJP	NA	NA
+PJ105171	GPCCKHHW 	C42H58N14O9S2	966.3953	NA	PeJP	NA	NA
+PJ105172	SSSPTTQEM 	C37H62N10O18S	966.3964	NA	PeJP	NA	NA
+PJ105173	SSQKEEEM 	C37H62N10O18S	966.3965	NA	PeJP	NA	NA
+PJ105174	VEEEEFW 	C45H58N8O16	966.3971	NA	PeJP	NA	NA
+PJ105175	SPNKEMMM 	C38H66N10O13S3	966.3973	NA	PeJP	NA	NA
+PJ105176	GGGAALEMMM 	C38H66N10O13S3	966.3974	NA	PeJP	NA	NA
+PJ105177	SSSCNQRW 	C38H58N14O14S	966.3978	NA	PeJP	NA	NA
+PJ105178	PCKMYYY 	C46H62N8O11S2	966.398	NA	PeJP	NA	NA
+PJ105179	GNNQYWW 	C46H54N12O12	966.3984	NA	PeJP	NA	NA
+PJ105180	GGGNQYWW 	C46H54N12O12	966.3985	NA	PeJP	NA	NA
+PJ105181	ACCCKHFR 	C39H62N14O9S3	966.3987	NA	PeJP	NA	NA
+PJ105182	CMRWWW 	C47H58N12O7S2	966.3993	NA	PeJP	NA	NA
+PJ105183	SSSSSNNER 	C34H58N14O19	966.4003	NA	PeJP	NA	NA
+PJ105184	STTTTMYY 	C42H62N8O16S	966.4005	NA	PeJP	NA	NA
+PJ105185	GSDDMMRR 	C35H62N14O14S2	966.4012	NA	PeJP	NA	NA
+PJ105186	TKMMMYY 	C43H66N8O11S3	966.4013	NA	PeJP	NA	NA
+PJ105187	PPPTMMMY 	C43H66N8O11S3	966.4014	NA	PeJP	NA	NA
+PJ105188	SSDMRWW 	C43H58N12O12S	966.4018	NA	PeJP	NA	NA
+PJ105189	GGGGGGAAMFW 	C43H58N12O12S	966.4019	NA	PeJP	NA	NA
+PJ105190	APCCMMRR 	C36H66N14O9S4	966.4021	NA	PeJP	NA	NA
+PJ105191	NEFWWW 	C51H54N10O10	966.4025	NA	PeJP	NA	NA
+PJ105192	SVLEEEMM 	C39H66N8O16S2	966.4039	NA	PeJP	NA	NA
+PJ105193	SSSSEERW 	C39H58N12O17	966.4043	NA	PeJP	NA	NA
+PJ105194	GGGGGGGKEEY 	C39H58N12O17	966.4044	NA	PeJP	NA	NA
+PJ105195	PVVEMMMM 	C40H70N8O11S4	966.4047	NA	PeJP	NA	NA
+PJ105196	SQEMMRW 	C40H62N12O12S2	966.4052	NA	PeJP	NA	NA
+PJ105197	GNNNQHHF 	C40H54N16O13	966.4057	NA	PeJP	NA	NA
+PJ105198	GTTMWWW 	C48H58N10O10S	966.4058	NA	PeJP	NA	NA
+PJ105199	GGAPMYWW 	C48H58N10O10S	966.4059	NA	PeJP	NA	NA
+PJ105200	CMHHHFR 	C41H58N16O8S2	966.4065	NA	PeJP	NA	NA
+PJ105201	SSTQEEMR 	C36H62N12O17S	966.4077	NA	PeJP	NA	NA
+PJ105202	GSTTTEWW 	C44H58N10O15	966.4083	NA	PeJP	NA	NA
+PJ105203	GGVQEEYW 	C44H58N10O15	966.4084	NA	PeJP	NA	NA
+PJ105204	AAQEMMMR 	C37H66N12O12S3	966.4086	NA	PeJP	NA	NA
+PJ105205	GSNEMHHR 	C37H58N16O13S	966.409	NA	PeJP	NA	NA
+PJ105206	GGGSEMHHR 	C37H58N16O13S	966.4091	NA	PeJP	NA	NA
+PJ105207	GKEMMWW 	C45H62N10O10S2	966.4092	NA	PeJP	NA	NA
+PJ105208	SSQHHWW 	C45H54N14O11	966.4097	NA	PeJP	NA	NA
+PJ105209	ACFFFFW 	C53H58N8O8S	966.4099	NA	PeJP	NA	NA
+PJ105210	GSTKEEMW 	C41H62N10O15S	966.4117	NA	PeJP	NA	NA
+PJ105211	ATTYYYW 	C49H58N8O13	966.4124	NA	PeJP	NA	NA
+PJ105212	GSPKMMMW 	C42H66N10O10S3	966.4126	NA	PeJP	NA	NA
+PJ105213	CNQHFRY 	C42H58N14O11S	966.413	NA	PeJP	NA	NA
+PJ105214	CNNQFRW 	C42H58N14O11S	966.4131	NA	PeJP	NA	NA
+PJ105215	GSSTTKEEE 	C37H62N10O20	966.4142	NA	PeJP	NA	NA
+PJ105216	GDKKEEMM 	C38H66N10O15S2	966.4151	NA	PeJP	NA	NA
+PJ105217	GSSSSSNRW 	C38H58N14O16	966.4155	NA	PeJP	NA	NA
+PJ105218	GGGSSSSSRW 	C38H58N14O16	966.4156	NA	PeJP	NA	NA
+PJ105219	PLEEMYW 	C46H62N8O13S	966.4157	NA	PeJP	NA	NA
+PJ105220	APPEEMFF 	C46H62N8O13S	966.4158	NA	PeJP	NA	NA
+PJ105221	APQKMMMM 	C39H70N10O10S4	966.416	NA	PeJP	NA	NA
+PJ105222	SCEMRRW 	C39H62N14O11S2	966.4164	NA	PeJP	NA	NA
+PJ105223	GGGGALMMHH 	C39H62N14O11S2	966.4165	NA	PeJP	NA	NA
+PJ105224	DEHHHHR 	C39H54N18O12	966.4169	NA	PeJP	NA	NA
+PJ105225	GPCRYWW 	C47H58N12O9S	966.4171	NA	PeJP	NA	NA
+PJ105226	GFWWWW 	C55H54N10O7	966.4177	NA	PeJP	NA	NA
+PJ105227	SPTLEEEY 	C42H62N8O18	966.4182	NA	PeJP	NA	NA
+PJ105228	GVLEEEEY 	C42H62N8O18	966.4183	NA	PeJP	NA	NA
+PJ105229	SSSDEMRR 	C35H62N14O16S	966.4189	NA	PeJP	NA	NA
+PJ105230	SPPLEMMY 	C43H66N8O13S2	966.4191	NA	PeJP	NA	NA
+PJ105231	GQEERYW 	C43H58N12O14	966.4196	NA	PeJP	NA	NA
+PJ105232	NEMMMRR 	C36H66N14O11S3	966.4198	NA	PeJP	NA	NA
+PJ105233	GSCDHHRR 	C36H58N18O12S	966.4203	NA	PeJP	NA	NA
+PJ105234	SVCMRWW 	C44H62N12O9S2	966.4204	NA	PeJP	NA	NA
+PJ105235	GTMMRWW 	C44H62N12O9S2	966.4205	NA	PeJP	NA	NA
+PJ105236	VDHHHHW 	C44H54N16O10	966.4209	NA	PeJP	NA	NA
+PJ105237	ALLEEMMM 	C40H70N8O13S3	966.4225	NA	PeJP	NA	NA
+PJ105238	ASSTEMRW 	C40H62N12O14S	966.4229	NA	PeJP	NA	NA
+PJ105239	GSTTEMRW 	C40H62N12O14S	966.423	NA	PeJP	NA	NA
+PJ105240	STTTWWW 	C48H58N10O12	966.4236	NA	PeJP	NA	NA
+PJ105241	VNMMMRW 	C41H66N12O9S3	966.4238	NA	PeJP	NA	NA
+PJ105242	SNMHHRW 	C41H58N16O10S	966.4243	NA	PeJP	NA	NA
+PJ105243	KMMWWW 	C49H62N10O7S2	966.4245	NA	PeJP	NA	NA
+PJ105244	GHHHFFW 	C49H54N14O8	966.425	NA	PeJP	NA	NA
+PJ105245	ASSSTTEER 	C36H62N12O19	966.4254	NA	PeJP	NA	NA
+PJ105246	GSSTTTEER 	C36H62N12O19	966.4255	NA	PeJP	NA	NA
+PJ105247	GSKEEMMR 	C37H66N12O14S2	966.4263	NA	PeJP	NA	NA
+PJ105248	GPDDDHRR 	C37H58N16O15	966.4268	NA	PeJP	NA	NA
+PJ105249	STKEMWW 	C45H62N10O12S	966.427	NA	PeJP	NA	NA
+HMDB10034	PIP2(16:0/16:2(9Z,12Z))	C41H77O19P3	966.427185	NA	HMDB2010	NA	NA
+HMDB10052	PIP2(16:1(9Z)/16:1(9Z))	C41H77O19P3	966.427185	NA	HMDB2010	NA	NA
+HMDB10056	PIP2(16:2(9Z,12Z)/16:0)	C41H77O19P3	966.427185	NA	HMDB2010	NA	NA
+PJ105250	APCKMMMR 	C38H70N12O9S4	966.4272	NA	PeJP	NA	NA
+PJ105251	AAFFYYW 	C53H58N8O10	966.4276	NA	PeJP	NA	NA
+PJ105252	QQMMHHR 	C38H62N16O10S2	966.4277	NA	PeJP	NA	NA
+PJ105253	ACKHHWW 	C46H58N14O8S	966.4283	NA	PeJP	NA	NA
+PJ105254	SSTTKEEW 	C41H62N10O17	966.4295	NA	PeJP	NA	NA
+PJ105255	GSSSSCQRR 	C34H62N16O15S	966.4302	NA	PeJP	NA	NA
+PJ105256	DKKEMMW 	C42H66N10O12S2	966.4303	NA	PeJP	NA	NA
+PJ105257	AATKEMMW 	C42H66N10O12S2	966.4304	NA	PeJP	NA	NA
+MJ098869	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], [?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C44H70O23	966.430788	NA	MeJP	NA	NA
+MJ098870	13-Hydroxy-16-kauren-19-oic acid; ent-form, 13-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside], ?-D-glucopyranosyl ester 	C44H70O23	966.430788	NA	MeJP	NA	NA
+PJ105258	GDDRRYW 	C42H58N14O13	966.4308	NA	PeJP	NA	NA
+PJ105259	GGGGGGGAPPHF 	C42H58N14O13	966.4309	NA	PeJP	NA	NA
+PJ105260	PCKFFYY 	C50H62N8O10S	966.431	NA	PeJP	NA	NA
+PJ105261	GGGCCKMRR 	C35H66N16O10S3	966.4311	NA	PeJP	NA	NA
+PJ105262	PCCFRRW 	C43H62N14O8S2	966.4317	NA	PeJP	NA	NA
+PJ105263	TTTQKEEM 	C38H66N10O17S	966.4328	NA	PeJP	NA	NA
+PJ105264	SSKKEEEM 	C38H66N10O17S	966.4329	NA	PeJP	NA	NA
+PJ105265	VLEEEYW 	C46H62N8O15	966.4335	NA	PeJP	NA	NA
+PJ105266	GLQKEMMM 	C39H70N10O12S3	966.4337	NA	PeJP	NA	NA
+PJ105267	SSSCNKRW 	C39H62N14O13S	966.4342	NA	PeJP	NA	NA
+PJ105268	CLKMFYY 	C47H66N8O10S2	966.4344	NA	PeJP	NA	NA
+PJ105269	QERYWW 	C47H58N12O11	966.4348	NA	PeJP	NA	NA
+PJ105270	GGGGGKYWW 	C47H58N12O11	966.4349	NA	PeJP	NA	NA
+PJ105271	GMMMRRW 	C40H66N14O8S3	966.4351	NA	PeJP	NA	NA
+PJ105272	SSSSSNDKR 	C35H62N14O18	966.4367	NA	PeJP	NA	NA
+PJ105273	SPVLEEMY 	C43H66N8O15S	966.4369	NA	PeJP	NA	NA
+PJ105274	GSTEMMRR 	C36H66N14O13S2	966.4376	NA	PeJP	NA	NA
+PJ105275	PPVVMMMY 	C44H70N8O10S3	966.4377	NA	PeJP	NA	NA
+PJ105276	GNNNQQHR 	C36H58N18O14	966.438	NA	PeJP	NA	NA
+PJ105277	GGGGGGGQQHR 	C36H58N18O14	966.4381	NA	PeJP	NA	NA
+PJ105278	STTMRWW 	C44H62N12O11S	966.4382	NA	PeJP	NA	NA
+PJ105279	VQYWWW 	C52H58N10O9	966.4389	NA	PeJP	NA	NA
+PJ105280	TTLLEEMM 	C40H70N8O15S2	966.4402	NA	PeJP	NA	NA
+PJ105281	SSTTTERW 	C40H62N12O16	966.4407	NA	PeJP	NA	NA
+PJ105282	PTLLMMMM 	C41H74N8O10S4	966.4411	NA	PeJP	NA	NA
+PJ105283	SKEMMRW 	C41H66N12O11S2	966.4416	NA	PeJP	NA	NA
+PJ105284	NQEHHFR 	C41H58N16O12	966.442	NA	PeJP	NA	NA
+PJ105285	GSSTHHRW 	C41H58N16O12	966.4421	NA	PeJP	NA	NA
+PJ105286	GPKMYWW 	C49H62N10O9S	966.4422	NA	PeJP	NA	NA
+PJ105287	SSTKEEMR 	C37H66N12O16S	966.4441	NA	PeJP	NA	NA
+PJ105288	SSSTTLWW 	C45H62N10O14	966.4447	NA	PeJP	NA	NA
+PJ105289	GGPPPLDEW 	C45H62N10O14	966.4448	NA	PeJP	NA	NA
+PJ105290	AAKEMMMR 	C38H70N12O11S3	966.445	NA	PeJP	NA	NA
+PJ105291	NNNMRRY 	C38H62N16O12S	966.4454	NA	PeJP	NA	NA
+PJ105292	GGGGGAAPMHR 	C38H62N16O12S	966.4455	NA	PeJP	NA	NA
+PJ105293	SVKMMWW 	C46H66N10O9S2	966.4456	NA	PeJP	NA	NA
+PJ105294	GPEHRWW 	C46H58N14O10	966.4461	NA	PeJP	NA	NA
+PJ105295	SSSSSSNRR 	C34H62N16O17	966.4479	NA	PeJP	NA	NA
+PJ105296	SSSLKEMW 	C42H66N10O14S	966.4481	NA	PeJP	NA	NA
+PJ105297	PPLEYYW 	C50H62N8O12	966.4487	NA	PeJP	NA	NA
+PJ105298	PLEEFFW 	C50H62N8O12	966.4488	NA	PeJP	NA	NA
+PJ105299	LQKMMMW 	C43H70N10O9S3	966.449	NA	PeJP	NA	NA
+PJ105300	SPCRRYW 	C43H62N14O10S	966.4494	NA	PeJP	NA	NA
+PJ105301	GDMFRRW 	C43H62N14O10S	966.4495	NA	PeJP	NA	NA
+PJ105302	ARYWWW 	C51H58N12O8	966.4501	NA	PeJP	NA	NA
+PJ105303	SSSSTLKEE 	C38H66N10O19	966.4506	NA	PeJP	NA	NA
+PJ105304	ATKKEEMM 	C39H70N10O14S2	966.4515	NA	PeJP	NA	NA
+PJ105305	SQEERRY 	C39H62N14O15	966.4519	NA	PeJP	NA	NA
+PJ105306	GGTEERRY 	C39H62N14O15	966.452	NA	PeJP	NA	NA
+PJ105307	LLEEMFW 	C47H66N8O12S	966.4521	NA	PeJP	NA	NA
+PJ105308	APKKMMMM 	C40H74N10O9S4	966.4524	NA	PeJP	NA	NA
+PJ105309	STMMRRW 	C40H66N14O10S2	966.4528	NA	PeJP	NA	NA
+PJ105310	GSQKHHHH 	C40H58N18O11	966.4533	NA	PeJP	NA	NA
+PJ105311	AAMFRWW 	C48H62N12O8S	966.4535	NA	PeJP	NA	NA
+PJ105312	ATLLEEEY 	C43H66N8O17	966.4546	NA	PeJP	NA	NA
+PJ105313	SSTTEMRR 	C36H66N14O15S	966.4553	NA	PeJP	NA	NA
+PJ105314	APLLEMMY 	C44H70N8O12S2	966.4555	NA	PeJP	NA	NA
+PJ105315	GKEERYW 	C44H62N12O13	966.456	NA	PeJP	NA	NA
+PJ105316	DKMMMRR 	C37H70N14O10S3	966.4562	NA	PeJP	NA	NA
+PJ105317	GSSMHHRR 	C37H62N18O11S	966.4567	NA	PeJP	NA	NA
+PJ105318	PCKMFRW 	C45H66N12O8S2	966.4568	NA	PeJP	NA	NA
+PJ105319	GQHHFRW 	C45H58N16O9	966.4573	NA	PeJP	NA	NA
+PJ105320	SLLLEMMM 	C41H74N8O12S3	966.4589	NA	PeJP	NA	NA
+PJ105321	SSSTLMRW 	C41H66N12O13S	966.4593	NA	PeJP	NA	NA
+PJ105322	GGAALEMRY 	C41H66N12O13S	966.4594	NA	PeJP	NA	NA
+PJ105323	GVKEYWW 	C49H62N10O11	966.46	NA	PeJP	NA	NA
+PJ105324	CLKMMRW 	C42H70N12O8S3	966.4602	NA	PeJP	NA	NA
+PJ105325	TCKHHRW 	C42H62N16O9S	966.4607	NA	PeJP	NA	NA
+PJ105326	PHRWWW 	C50H58N14O7	966.4613	NA	PeJP	NA	NA
+PJ105327	SSSSTTLER 	C37H66N12O18	966.4618	NA	PeJP	NA	NA
+PJ105328	ATTKEMMR 	C38H70N12O13S2	966.4627	NA	PeJP	NA	NA
+PJ105329	SDDRRRY 	C38H62N16O14	966.4632	NA	PeJP	NA	NA
+PJ105330	PDKKMYW 	C46H66N10O11S	966.4634	NA	PeJP	NA	NA
+PJ105331	VNFFFFF 	C54H62N8O9	966.464	NA	PeJP	NA	NA
+PJ105332	APPCMHRR 	C39H66N16O9S2	966.4641	NA	PeJP	NA	NA
+PJ105333	ASSTTTTLW 	C42H66N10O16	966.4658	NA	PeJP	NA	NA
+PJ105334	TTTTTKEW 	C42H66N10O16	966.4659	NA	PeJP	NA	NA
+PJ105335	GSSSSCKRR 	C35H66N16O14S	966.4666	NA	PeJP	NA	NA
+PJ105336	GTTLKMMW 	C43H70N10O11S2	966.4667	NA	PeJP	NA	NA
+PJ105337	GGGAALLMMF 	C43H70N10O11S2	966.4668	NA	PeJP	NA	NA
+MJ098871	Spirostane-2,3,5,6,24-pentol, 2-O-?-D-Glucopyranoside, 24-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C45H74O22	966.467174	NA	MeJP	NA	NA
+PJ105338	GTERRYW 	C43H62N14O12	966.4672	NA	PeJP	NA	NA
+PJ105339	CLKFFFY 	C51H66N8O9S	966.4674	NA	PeJP	NA	NA
+PJ105340	PHHHHFR 	C44H58N18O8	966.4686	NA	PeJP	NA	NA
+PJ105341	TTTKKEEM 	C39H70N10O16S	966.4692	NA	PeJP	NA	NA
+PJ105342	SPPVLEYY 	C47H66N8O14	966.4699	NA	PeJP	NA	NA
+PJ105343	GLKKEMMM 	C40H74N10O11S3	966.4701	NA	PeJP	NA	NA
+PJ105344	VNEMRRY 	C40H66N14O12S	966.4706	NA	PeJP	NA	NA
+PJ105345	PPVVMMFF 	C48H70N8O9S2	966.4708	NA	PeJP	NA	NA
+PJ105346	KERYWW 	C48H62N12O10	966.4712	NA	PeJP	NA	NA
+PJ105347	LMHHHHR 	C41H62N18O8S	966.4719	NA	PeJP	NA	NA
+PJ105348	SSSSSTQKR 	C36H66N14O17	966.4731	NA	PeJP	NA	NA
+PJ105349	GLLLEEMY 	C44H70N8O14S	966.4733	NA	PeJP	NA	NA
+PJ105350	SSSLMMRR 	C37H70N14O12S2	966.4739	NA	PeJP	NA	NA
+PJ105351	GGSTCKKMR 	C37H70N14O12S2	966.474	NA	PeJP	NA	NA
+PJ105352	PVVLMMMF 	C45H74N8O9S3	966.4741	NA	PeJP	NA	NA
+PJ105353	SSSTHHRR 	C37H62N18O13	966.4744	NA	PeJP	NA	NA
+PJ105354	GGGGGGGGAKHR 	C37H62N18O13	966.4745	NA	PeJP	NA	NA
+PJ105355	SPKMRYW 	C45H66N12O10S	966.4746	NA	PeJP	NA	NA
+PJ105356	VKYWWW 	C53H62N10O8	966.4752	NA	PeJP	NA	NA
+PJ105357	PPPVWWW 	C53H62N10O8	966.4753	NA	PeJP	NA	NA
+PJ105358	TTTTTTRW 	C41H66N12O15	966.4771	NA	PeJP	NA	NA
+PJ105359	VVLLMMMM 	C42H78N8O9S4	966.4775	NA	PeJP	NA	NA
+PJ105360	GSCKKKMW 	C42H70N12O10S2	966.478	NA	PeJP	NA	NA
+PJ105361	SPEHRRW 	C42H62N16O11	966.4784	NA	PeJP	NA	NA
+PJ105362	GGGGLQHRW 	C42H62N16O11	966.4785	NA	PeJP	NA	NA
+PJ105363	GLKMFWW 	C50H66N10O8S	966.4786	NA	PeJP	NA	NA
+PJ105364	TTTTKEMR 	C38H70N12O15S	966.4805	NA	PeJP	NA	NA
+PJ105365	VDKKEYW 	C46H66N10O13	966.4811	NA	PeJP	NA	NA
+PJ105366	GTLKMMMR 	C39H74N12O10S3	966.4813	NA	PeJP	NA	NA
+PJ105367	GEMRRRY 	C39H66N16O11S	966.4818	NA	PeJP	NA	NA
+PJ105368	PKKMMFW 	C47H70N10O8S2	966.482	NA	PeJP	NA	NA
+PJ105369	TRRYWW 	C47H62N14O9	966.4825	NA	PeJP	NA	NA
+PJ105370	STTTLKMW 	C43H70N10O13S	966.4845	NA	PeJP	NA	NA
+PJ105371	PLLEFYW 	C51H66N8O11	966.4851	NA	PeJP	NA	NA
+PJ105372	SSCCKKRR 	C36H70N16O11S2	966.4852	NA	PeJP	NA	NA
+PJ105373	LKKMMMW 	C44H74N10O8S3	966.4854	NA	PeJP	NA	NA
+PJ105374	NNDHRRR 	C36H62N20O12	966.4857	NA	PeJP	NA	NA
+PJ105375	GVMRRYW 	C44H66N14O9S	966.4858	NA	PeJP	NA	NA
+PJ105376	SSTTTTLKE 	C39H70N10O18	966.487	NA	PeJP	NA	NA
+PJ105377	STLKKEMM 	C40H74N10O13S2	966.4879	NA	PeJP	NA	NA
+PJ105378	SKEERRY 	C40H66N14O14	966.4883	NA	PeJP	NA	NA
+PJ105379	GGGLLEEHR 	C40H66N14O14	966.4884	NA	PeJP	NA	NA
+PJ105380	LLLEMYW 	C48H70N8O11S	966.4885	NA	PeJP	NA	NA
+PJ105381	VQMMFRR 	C41H70N14O9S2	966.4892	NA	PeJP	NA	NA
+PJ105382	GQQHRRW 	C41H62N18O10	966.4897	NA	PeJP	NA	NA
+PJ105383	STLLLEEY 	C44H70N8O16	966.491	NA	PeJP	NA	NA
+PJ105384	TTTTTMRR 	C37H70N14O14S	966.4917	NA	PeJP	NA	NA
+PJ105385	SPLLLMMY 	C45H74N8O11S2	966.4919	NA	PeJP	NA	NA
+PJ105386	SVKERYW 	C45H66N12O12	966.4923	NA	PeJP	NA	NA
+PJ105387	VTDKRYW 	C45H66N12O12	966.4924	NA	PeJP	NA	NA
+PJ105388	ACCKKKMR 	C38H74N14O9S3	966.4926	NA	PeJP	NA	NA
+PJ105389	PDMHRRR 	C38H66N18O10S	966.4931	NA	PeJP	NA	NA
+PJ105390	GKHHFRW 	C46H62N16O8	966.4937	NA	PeJP	NA	NA
+PJ105391	SSTCKKKW 	C42H70N12O12S	966.4957	NA	PeJP	NA	NA
+PJ105392	GGGGGPPPLKM 	C42H70N12O12S	966.4958	NA	PeJP	NA	NA
+PJ105393	ATLKYWW 	C50H66N10O10	966.4964	NA	PeJP	NA	NA
+PJ105394	MRRRYW 	C43H66N16O8S	966.4971	NA	PeJP	NA	NA
+PJ105395	SSTTTTTLR 	C38H70N12O17	966.4982	NA	PeJP	NA	NA
+PJ105396	STTLKMMR 	C39H74N12O12S2	966.4991	NA	PeJP	NA	NA
+PJ105397	STERRRY 	C39H66N16O13	966.4996	NA	PeJP	NA	NA
+PJ105398	VLQKMYW 	C47H70N10O10S	966.4997	NA	PeJP	NA	NA
+PJ105399	GGLLKMYW 	C47H70N10O10S	966.4998	NA	PeJP	NA	NA
+PJ105400	AMMFRRR 	C40H70N16O8S2	966.5004	NA	PeJP	NA	NA
+PJ105401	PQHHHRR 	C40H62N20O9	966.5009	NA	PeJP	NA	NA
+PJ105402	ASLKKEEY 	C43H70N10O15	966.5022	NA	PeJP	NA	NA
+PJ105403	GTLKKEEY 	C43H70N10O15	966.5023	NA	PeJP	NA	NA
+PJ105404	GPLKKMMY 	C44H74N10O10S2	966.5031	NA	PeJP	NA	NA
+PJ105405	SSLRRYW 	C44H66N14O11	966.5036	NA	PeJP	NA	NA
+PJ105406	SSSTTLLKM 	C40H74N10O15S	966.5056	NA	PeJP	NA	NA
+PJ105407	GPLLLEYY 	C48H70N8O13	966.5063	NA	PeJP	NA	NA
+PJ105408	SVLKKMMM 	C41H78N10O10S3	966.5065	NA	PeJP	NA	NA
+PJ105409	VDKMRRY 	C41H70N14O11S	966.507	NA	PeJP	NA	NA
+PJ105410	PTLKHWW 	C49H66N12O9	966.5076	NA	PeJP	NA	NA
+PJ105411	SSSSSTKKR 	C37H70N14O16	966.5094	NA	PeJP	NA	NA
+PJ105412	SVLLLEMY 	C45H74N8O13S	966.5096	NA	PeJP	NA	NA
+PJ105413	SSCKKKMR 	C38H74N14O11S2	966.5103	NA	PeJP	NA	NA
+PJ105414	VDEHRRR 	C38H66N18O12	966.5108	NA	PeJP	NA	NA
+PJ105415	ALKMRYW 	C46H70N12O9S	966.511	NA	PeJP	NA	NA
+PJ105416	GTTLKERY 	C42H70N12O14	966.5135	NA	PeJP	NA	NA
+PJ105417	AALKMMFR 	C43H74N12O9S2	966.5144	NA	PeJP	NA	NA
+PJ105418	ALEHRRW 	C43H66N16O10	966.5148	NA	PeJP	NA	NA
+PJ105419	GSSTTKKKM 	C39H74N12O14S	966.5168	NA	PeJP	NA	NA
+PJ105420	ASSSTKKKM 	C39H74N12O14S	966.5169	NA	PeJP	NA	NA
+PJ105421	TLKKEYW 	C47H70N10O12	966.5175	NA	PeJP	NA	NA
+PJ105422	ACKKKKMM 	C40H78N12O9S3	966.5177	NA	PeJP	NA	NA
+PJ105423	SVMRRRY 	C40H70N16O10S	966.5182	NA	PeJP	NA	NA
+MJ098872	Hederagenin 3-glycosides; Triglycosides, 3-O-[3,4-Di-O-acetyl-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C50H78O18	966.518815	NA	MeJP	NA	NA
+MJ098873	Hederagenin 3-glycosides; Triglycosides, 3-O-[3,4-Di-O-acetyl-?-L-arabinopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-?-L-arabinopyranoside] 	C50H78O18	966.518815	NA	MeJP	NA	NA
+MJ098874	Pfaffic acid; 3-O-[?-D-Xylopyranosyl-(1?2)-?-D-(6-O-butylglucuronopyranoside)], 28-?-D-glucopyranosyl ester 	C50H78O18	966.518815	NA	MeJP	NA	NA
+PJ105424	GLLHRWW 	C48H66N14O8	966.5189	NA	PeJP	NA	NA
+PJ105425	GVLKKEMY 	C44H74N10O12S	966.5209	NA	PeJP	NA	NA
+PJ105426	PLLLYYW 	C52H70N8O10	966.5215	NA	PeJP	NA	NA
+PJ105427	SQQHRRR 	C37H66N20O11	966.522	NA	PeJP	NA	NA
+PJ105428	GGGATHRRR 	C37H66N20O11	966.5221	NA	PeJP	NA	NA
+PJ105429	PLKMHRW 	C45H70N14O8S	966.5222	NA	PeJP	NA	NA
+PJ105430	TTTTTTTLK 	C40H74N10O17	966.5234	NA	PeJP	NA	NA
+HMDB09922	PIP(16:0/22:4(10Z,13Z,16Z,19Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09936	PIP(16:0/22:4(7Z,10Z,13Z,16Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09956	PIP(18:0/20:4(5Z,8Z,11Z,14Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09957	PIP(18:0/20:4(8Z,11Z,14Z,17Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09965	PIP(18:1(11Z)/20:3(5Z,8Z,11Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09966	PIP(18:1(11Z)/20:3(8Z,11Z,14Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09978	PIP(18:1(9Z)/20:3(5Z,8Z,11Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09979	PIP(18:1(9Z)/20:3(8Z,11Z,14Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB09990	PIP(18:2(9Z,12Z)/20:2(11Z,14Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10004	PIP(20:2(11Z,14Z)/18:2(9Z,12Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10007	PIP(20:3(5Z,8Z,11Z)/18:1(11Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10008	PIP(20:3(5Z,8Z,11Z)/18:1(9Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10012	PIP(20:3(8Z,11Z,14Z)/18:1(11Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10013	PIP(20:3(8Z,11Z,14Z)/18:1(9Z))	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10016	PIP(20:4(5Z,8Z,11Z,14Z)/18:0)	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10020	PIP(20:4(8Z,11Z,14Z,17Z)/18:0)	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10027	PIP(22:4(10Z,13Z,16Z,19Z)/16:0)	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+HMDB10028	PIP(22:4(7Z,10Z,13Z,16Z)/16:0)	C47H84O16P2	966.523438	NA	HMDB2010	NA	NA
+PJ105431	GTTTLRRY 	C41H70N14O13	966.5247	NA	PeJP	NA	NA
+PJ105432	GGGGGGGPPVKK 	C41H70N14O13	966.5248	NA	PeJP	NA	NA
+PJ105433	APLLLMFY 	C49H74N8O10S	966.5249	NA	PeJP	NA	NA
+PJ105434	VKMMFRR 	C42H74N14O8S2	966.5256	NA	PeJP	NA	NA
+PJ105435	GQKHRRW 	C42H66N18O9	966.5261	NA	PeJP	NA	NA
+PJ105436	ALLLLMMY 	C46H78N8O10S2	966.5283	NA	PeJP	NA	NA
+PJ105437	TTLKRYW 	C46H70N12O11	966.5287	NA	PeJP	NA	NA
+PJ105438	GPPLLERW 	C46H70N12O11	966.5288	NA	PeJP	NA	NA
+PJ105439	FFRRRW 	C47H66N16O7	966.5301	NA	PeJP	NA	NA
+PJ105440	LKKEMRY 	C43H74N12O11S	966.5321	NA	PeJP	NA	NA
+PJ105441	GPPVLLWW 	C51H70N10O9	966.5328	NA	PeJP	NA	NA
+PJ105442	SSSTTTKKK 	C39H74N12O16	966.5346	NA	PeJP	NA	NA
+PJ105443	SSKKKKMM 	C40H78N12O11S2	966.5355	NA	PeJP	NA	NA
+PJ105444	LKEEHRR 	C40H70N16O12	966.536	NA	PeJP	NA	NA
+PJ105445	VLKKMYW 	C48H74N10O9S	966.5361	NA	PeJP	NA	NA
+PJ105446	PKHHHRR 	C41H66N20O8	966.5373	NA	PeJP	NA	NA
+PJ105447	SSLLKKEY 	C44H74N10O14	966.5386	NA	PeJP	NA	NA
+PJ105448	GPPVVLKEE 	C44H74N10O14	966.5387	NA	PeJP	NA	NA
+PJ105449	GLLKKMMF 	C45H78N10O9S2	966.5395	NA	PeJP	NA	NA
+PJ105450	VLKEHRW 	C45H70N14O10	966.54	NA	PeJP	NA	NA
+PJ105451	SPVLLLYY 	C49H74N8O12	966.5427	NA	PeJP	NA	NA
+PJ105452	TLKMRRY 	C42H74N14O10S	966.5433	NA	PeJP	NA	NA
+PJ105453	GGKKKMRY 	C42H74N14O10S	966.5434	NA	PeJP	NA	NA
+PJ105454	PPLLRWW 	C50H70N12O8	966.544	NA	PeJP	NA	NA
+PJ105455	TTLLLLMY 	C46H78N8O12S	966.546	NA	PeJP	NA	NA
+PJ105456	TLEHRRR 	C39H70N18O11	966.5472	NA	PeJP	NA	NA
+PJ105457	CKKKKFW 	C47H74N12O8S	966.5474	NA	PeJP	NA	NA
+PJ105458	SSTLLKRY 	C43H74N12O13	966.5499	NA	PeJP	NA	NA
+PJ105459	SLLHRRW 	C44H70N16O9	966.5512	NA	PeJP	NA	NA
+PJ105460	PPVVLKEW 	C48H74N10O11	966.5539	NA	PeJP	NA	NA
+PJ105461	AALLMHRR 	C41H74N16O9S	966.5546	NA	PeJP	NA	NA
+MJ098875	3,12,14-Trihydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H82O17	966.555201	NA	MeJP	NA	NA
+PJ105462	ATLLKKMY 	C45H78N10O11S	966.5573	NA	PeJP	NA	NA
+PJ105463	LLLLFYW 	C53H74N8O9	966.5579	NA	PeJP	NA	NA
+PJ105464	SQKHRRR 	C38H70N20O10	966.5584	NA	PeJP	NA	NA
+PJ105465	GSTKKKRY 	C42H74N14O12	966.5611	NA	PeJP	NA	NA
+PJ105466	ALLLLMFF 	C50H78N8O9S	966.5613	NA	PeJP	NA	NA
+PJ105467	GKKHRRW 	C43H70N18O8	966.5624	NA	PeJP	NA	NA
+PJ105468	PVHFRRR 	C43H70N18O8	966.5625	NA	PeJP	NA	NA
+PJ105469	SKKKKYW 	C47H74N12O10	966.5651	NA	PeJP	NA	NA
+PJ105470	VLMHRRR 	C40H74N18O8S	966.5658	NA	PeJP	NA	NA
+PJ105471	AAKKKKMY 	C44H78N12O10S	966.5685	NA	PeJP	NA	NA
+PJ105472	VLKKFFW 	C52H74N10O8	966.5691	NA	PeJP	NA	NA
+PJ105473	ATTLLHRR 	C41H74N16O11	966.5723	NA	PeJP	NA	NA
+PJ105474	GPPKKERR 	C41H74N16O11	966.5724	NA	PeJP	NA	NA
+PJ105475	TTTLLKKY 	C45H78N10O13	966.575	NA	PeJP	NA	NA
+MJ098876	Halymecin A; 3'''-O-?-D-Mannopyranoside 	C48H86O19	966.57633	NA	MeJP	NA	NA
+PJ105476	GPPVKKRW 	C46H74N14O9	966.5764	NA	PeJP	NA	NA
+PJ105477	GLLLLLYY 	C50H78N8O11	966.579	NA	PeJP	NA	NA
+PJ105478	PPVVLMRR 	C43H78N14O9S	966.5797	NA	PeJP	NA	NA
+PJ105479	GPPTKRRR 	C40H74N18O10	966.5836	NA	PeJP	NA	NA
+PJ105480	ATTKKKKY 	C44H78N12O12	966.5863	NA	PeJP	NA	NA
+PJ105481	PPKKRRW 	C45H74N16O8	966.5876	NA	PeJP	NA	NA
+PJ105482	PPTLLLKW 	C49H78N10O10	966.5903	NA	PeJP	NA	NA
+PJ105483	GPPVLLLKM 	C46H82N10O10S	966.5937	NA	PeJP	NA	NA
+PJ105484	PVQRRRR 	C39H74N20O9	966.5948	NA	PeJP	NA	NA
+PJ105485	APLLLERR 	C43H78N14O11	966.5975	NA	PeJP	NA	NA
+PJ105486	GPLLLLRW 	C48H78N12O9	966.6015	NA	PeJP	NA	NA
+PJ105487	PPLLLKMR 	C45H82N12O9S	966.6049	NA	PeJP	NA	NA
+PJ105488	APRRRRR 	C38H74N22O8	966.606	NA	PeJP	NA	NA
+PJ105489	SPPVKKRR 	C42H78N16O10	966.6087	NA	PeJP	NA	NA
+PJ105490	AAPLLLLKE 	C46H82N10O12	966.6114	NA	PeJP	NA	NA
+PJ105491	LKKKKHW 	C47H78N14O8	966.6127	NA	PeJP	NA	NA
+PJ105492	AAPLKRRR 	C41H78N18O9	966.62	NA	PeJP	NA	NA
+PJ105493	AAPTLLLLR 	C45H82N12O11	966.6226	NA	PeJP	NA	NA
+PJ105494	PVLLLKER 	C45H82N12O11	966.6227	NA	PeJP	NA	NA
+PJ105495	PVVLLLKW 	C50H82N10O9	966.6267	NA	PeJP	NA	NA
+PJ105496	PVKRRRR 	C40H78N20O8	966.6312	NA	PeJP	NA	NA
+PJ105497	SPLLLLRR 	C44H82N14O10	966.6339	NA	PeJP	NA	NA
+PJ105498	GPLLKKRR 	C43H82N16O9	966.6451	NA	PeJP	NA	NA
+MJ098877	Circulocin ? 	C47H86N10O11	966.647753	NA	MeJP	NA	NA
+PJ105499	GPTLLLLLK 	C47H86N10O11	966.6478	NA	PeJP	NA	NA
+PJ105500	VLLLLLQR 	C46H86N12O10	966.659	NA	PeJP	NA	NA
+PJ105501	ALLLLLRR 	C45H86N14O9	966.6703	NA	PeJP	NA	NA
+PJ105502	AALLLLLLK 	C48H90N10O10	966.6842	NA	PeJP	NA	NA
+PJ105503	VLLLLLKR 	C47H90N12O9	966.6954	NA	PeJP	NA	NA
+HMDB05416	TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H114O6	966.86151	http://www.hmdb.ca/metabolites/HMDB05416	HMDB	NA	NA
+HMDB05416	TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H114O6	966.86151	HMDB05416	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05416	TG(20:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso3]	C63H114O6	966.861511	NA	HMDB2010	NA	NA
+PJ105504	CCCCCCCNN 	C29H49N11O12S7	967.1608	NA	PeJP	NA	NA
+C02611	(E,E)-Piperoyl-CoA	C33H44N7O19P3S	967.1626	NA	KEGG	NA	NA
+PJ105505	SCCCCCCDE 	C30H49N9O15S6	967.1673	NA	PeJP	NA	NA
+PJ105506	PCCCCCCCM 	C31H53N9O10S8	967.1682	NA	PeJP	NA	NA
+PJ105507	GCCCCCDMM 	C31H53N9O12S7	967.1859	NA	PeJP	NA	NA
+PJ105508	GCCCCCDDF 	C34H49N9O14S5	967.2003	NA	PeJP	NA	NA
+PJ105509	SSCCCCCEM 	C31H53N9O14S6	967.2037	NA	PeJP	NA	NA
+PJ105510	GCCCCCCHH 	C32H49N13O10S6	967.205	NA	PeJP	NA	NA
+PJ105511	GSCCCCDDY 	C34H49N9O16S4	967.2181	NA	PeJP	NA	NA
+PJ105512	APCCCCCCY 	C35H53N9O11S6	967.2189	NA	PeJP	NA	NA
+PJ105513	GSCCCCMMM 	C32H57N9O11S7	967.2223	NA	PeJP	NA	NA
+PJ105514	PPCCCCCCH 	C34H53N11O10S6	967.2302	NA	PeJP	NA	NA
+PJ105515	CCCCNEMY 	C35H53N9O13S5	967.2367	NA	PeJP	NA	NA
+PJ105516	SSTCCCCMM 	C32H57N9O13S6	967.24	NA	PeJP	NA	NA
+PJ105517	GCCCCNNDH 	C32H49N13O14S4	967.2405	NA	PeJP	NA	NA
+PJ105518	GSCCCDDEH 	C33H49N11O17S3	967.2471	NA	PeJP	NA	NA
+PJ105519	CCCCCDRY 	C34H53N11O12S5	967.2479	NA	PeJP	NA	NA
+PJ105520	GCCCCMYW 	C39H53N9O10S5	967.2519	NA	PeJP	NA	NA
+PJ105521	GSDDDDDDD 	C33H45N9O25	967.2527	NA	PeJP	NA	NA
+PJ105522	GPCCDDDDE 	C34H49N9O20S2	967.2536	NA	PeJP	NA	NA
+PJ105523	GSSCCCDMY 	C35H53N9O15S4	967.2544	NA	PeJP	NA	NA
+PJ105524	CCCCQMMF 	C36H57N9O10S6	967.2553	NA	PeJP	NA	NA
+PJ105525	SCCCDDHW 	C37H49N11O14S3	967.2623	NA	PeJP	NA	NA
+PJ105526	SSSCCDDDH 	C33H49N11O19S2	967.2648	NA	PeJP	NA	NA
+PJ105527	CCNDDMMH 	C34H53N11O14S4	967.2657	NA	PeJP	NA	NA
+PJ105528	CCCCCMFR 	C35H57N11O9S6	967.2665	NA	PeJP	NA	NA
+PJ105529	PCCDDDDW 	C38H49N9O17S2	967.2688	NA	PeJP	NA	NA
+PJ105530	STCCCCYW 	C39H53N9O12S4	967.2697	NA	PeJP	NA	NA
+PJ105531	NDDDDDEM 	C34H49N9O22S	967.2713	NA	PeJP	NA	NA
+PJ105532	SSSSCCCEY 	C35H53N9O17S3	967.2722	NA	PeJP	NA	NA
+PJ105533	SCCCQMMY 	C36H57N9O12S5	967.2731	NA	PeJP	NA	NA
+MJ098878	Perdeacylwilfortrine; 2,26-Bis-O-(3-furancarbonyl), 1,6,8,9,14-penta-Ac 	C46H49NO22	967.274622	NA	MeJP	NA	NA
+PJ105534	GCCNNNNDD 	C32H49N13O18S2	967.276	NA	PeJP	NA	NA
+PJ105535	GGGGGCCNNDD 	C32H49N13O18S2	967.2761	NA	PeJP	NA	NA
+PJ105536	CCCCDEHR 	C33H53N13O13S4	967.2769	NA	PeJP	NA	NA
+PJ105537	CCNDDDHF 	C37H49N11O16S2	967.2801	NA	PeJP	NA	NA
+PJ105538	GCCCEMHW 	C38H53N11O11S4	967.2809	NA	PeJP	NA	NA
+PJ105539	CDDDDDDR 	C33H49N11O21S	967.2826	NA	PeJP	NA	NA
+PJ105540	GSSCCDEMH 	C34H53N11O16S3	967.2834	NA	PeJP	NA	NA
+PJ105541	GGGGAPCCCDE 	C34H53N11O16S3	967.2835	NA	PeJP	NA	NA
+PJ105542	SCCCCMRY 	C35H57N11O11S5	967.2843	NA	PeJP	NA	NA
+PJ105543	CCCNDHHH 	C35H49N15O12S3	967.2848	NA	PeJP	NA	NA
+PJ105544	GCCCCFFW 	C43H53N9O9S4	967.285	NA	PeJP	NA	NA
+PJ105545	GDDDDDMW 	C38H49N9O19S	967.2866	NA	PeJP	NA	NA
+PJ105546	GCCNDMYY 	C39H53N9O14S3	967.2874	NA	PeJP	NA	NA
+PJ105547	GGGCCDMYY 	C39H53N9O14S3	967.2875	NA	PeJP	NA	NA
+PJ105548	GSSDDDDEE 	C34H49N9O24	967.2891	NA	PeJP	NA	NA
+PJ105549	GSPCDDDEM 	C35H53N9O19S2	967.29	NA	PeJP	NA	NA
+PJ105550	GSSSCCMMY 	C36H57N9O14S4	967.2908	NA	PeJP	NA	NA
+PJ105551	CCCCKMMF 	C37H61N9O9S6	967.2917	NA	PeJP	NA	NA
+PJ105552	SSSCCCNQH 	C33H53N13O15S3	967.2947	NA	PeJP	NA	NA
+PJ105553	CCCMHWW 	C42H53N11O8S4	967.2962	NA	PeJP	NA	NA
+PJ105554	SCNNDDDW 	C37H49N11O18S	967.2978	NA	PeJP	NA	NA
+PJ105555	SSCCDMHW 	C38H53N11O13S3	967.2987	NA	PeJP	NA	NA
+PJ105556	SSSNNDDDD 	C33H49N11O23	967.3003	NA	PeJP	NA	NA
+PJ105557	SSSSCDDMH 	C34H53N11O18S2	967.3012	NA	PeJP	NA	NA
+PJ105558	CDDDEWW 	C42H49N9O16S	967.3018	NA	PeJP	NA	NA
+PJ105559	SCNDMMMH 	C35H57N11O13S4	967.302	NA	PeJP	NA	NA
+PJ105560	GGSCDMMMH 	C35H57N11O13S4	967.3021	NA	PeJP	NA	NA
+PJ105561	CCCQYYW 	C43H53N9O11S3	967.3027	NA	PeJP	NA	NA
+PJ105562	SSDDDDEW 	C38H49N9O21	967.3043	NA	PeJP	NA	NA
+PJ105563	GGPDDDDDY 	C38H49N9O21	967.3044	NA	PeJP	NA	NA
+PJ105564	SPCDDDMW 	C39H53N9O16S2	967.3052	NA	PeJP	NA	NA
+PJ105565	PPCCCEMW 	C40H57N9O11S4	967.3061	NA	PeJP	NA	NA
+PJ105566	SNDDEEEM 	C35H53N9O21S	967.3077	NA	PeJP	NA	NA
+PJ105567	DDDDYYY 	C43H49N7O19	967.3084	NA	PeJP	NA	NA
+PJ105568	SSSSTCCMY 	C36H57N9O16S3	967.3086	NA	PeJP	NA	NA
+PJ105569	SCCCKMMY 	C37H61N9O11S5	967.3094	NA	PeJP	NA	NA
+PJ105570	CCCNNQHF 	C37H53N13O12S3	967.3099	NA	PeJP	NA	NA
+PJ105571	CCNNDDER 	C33H53N13O17S2	967.3124	NA	PeJP	NA	NA
+PJ105572	GGGGGGGGGSCDM 	C33H53N13O17S2	967.3125	NA	PeJP	NA	NA
+PJ105573	DDMMMYY 	C41H57N7O14S3	967.3126	NA	PeJP	NA	NA
+PJ105574	SCCCEMHR 	C34H57N13O12S4	967.3133	NA	PeJP	NA	NA
+PJ105575	GPCCCNWW 	C42H53N11O10S3	967.3139	NA	PeJP	NA	NA
+PJ105576	NNNDDDDF 	C37H49N11O20	967.3156	NA	PeJP	NA	NA
+PJ105577	GCNNDEMW 	C38H53N11O15S2	967.3164	NA	PeJP	NA	NA
+PJ105578	GGGCNDEMW 	C38H53N11O15S2	967.3165	NA	PeJP	NA	NA
+PJ105579	MMMMMMY 	C39H65N7O9S6	967.3168	NA	PeJP	NA	NA
+PJ105580	GTCCMMHW 	C39H57N11O10S4	967.3173	NA	PeJP	NA	NA
+PJ105581	GSSNNDDEM 	C34H53N11O20S	967.3189	NA	PeJP	NA	NA
+PJ105582	SDDDDDMR 	C34H53N11O20S	967.319	NA	PeJP	NA	NA
+PJ105583	PCCDDEMR 	C35H57N11O15S3	967.3198	NA	PeJP	NA	NA
+PJ105584	CNNNDDHH 	C35H49N15O16S	967.3203	NA	PeJP	NA	NA
+PJ105585	GSSCCYYW 	C43H53N9O13S2	967.3205	NA	PeJP	NA	NA
+PJ105586	GCQMMMMH 	C36H61N11O10S5	967.3207	NA	PeJP	NA	NA
+PJ105587	SCCNMHHH 	C36H53N15O11S3	967.3212	NA	PeJP	NA	NA
+PJ105588	GSSSSCDYY 	C39H53N9O18S	967.3229	NA	PeJP	NA	NA
+PJ105589	GSDDEEMW 	C39H53N9O18S	967.323	NA	PeJP	NA	NA
+PJ105590	GPCDEMMW 	C40H57N9O13S3	967.3238	NA	PeJP	NA	NA
+PJ105591	GSSSDEEEE 	C35H53N9O23	967.3255	NA	PeJP	NA	NA
+PJ105592	GNEEEEMM 	C36H57N9O18S2	967.3263	NA	PeJP	NA	NA
+PJ105593	GGGEEEEMM 	C36H57N9O18S2	967.3264	NA	PeJP	NA	NA
+PJ105594	SNDDDEHH 	C36H49N13O19	967.3268	NA	PeJP	NA	NA
+PJ105595	DDDMFYY 	C44H53N7O16S	967.327	NA	PeJP	NA	NA
+PJ105596	GSPPCDMMM 	C37H61N9O13S4	967.3272	NA	PeJP	NA	NA
+PJ105597	GCCNDDRW 	C37H53N13O14S2	967.3277	NA	PeJP	NA	NA
+PJ105598	PCCCCHFR 	C38H57N13O9S4	967.3286	NA	PeJP	NA	NA
+PJ105599	GSSCNDDDR 	C33H53N13O19S	967.3302	NA	PeJP	NA	NA
+PJ105600	GSPCCCNER 	C34H57N13O14S3	967.331	NA	PeJP	NA	NA
+PJ105601	GGGSPCCCER 	C34H57N13O14S3	967.3311	NA	PeJP	NA	NA
+PJ105602	DMMMMFY 	C42H61N7O11S4	967.3312	NA	PeJP	NA	NA
+PJ105603	CNNDMWW 	C42H53N11O12S2	967.3317	NA	PeJP	NA	NA
+PJ105604	GCCMMMHR 	C35H61N13O9S5	967.3319	NA	PeJP	NA	NA
+PJ105605	SSNNDDMW 	C38H53N11O17S	967.3342	NA	PeJP	NA	NA
+PJ105606	SSSCMMHW 	C39H57N11O12S3	967.3351	NA	PeJP	NA	NA
+PJ105607	SSSSNNDEE 	C34H53N11O22	967.3367	NA	PeJP	NA	NA
+PJ105608	GDDDEMMR 	C35H57N11O17S2	967.3376	NA	PeJP	NA	NA
+PJ105609	SDDEMWW 	C43H53N9O15S	967.3382	NA	PeJP	NA	NA
+PJ105610	SSNMMMMH 	C36H61N11O12S4	967.3384	NA	PeJP	NA	NA
+PJ105611	GGGGPCQMMM 	C36H61N11O12S4	967.3385	NA	PeJP	NA	NA
+PJ105612	GSSTCCHHH 	C36H53N15O13S2	967.3389	NA	PeJP	NA	NA
+PJ105613	PCDMMWW 	C44H57N9O10S3	967.3391	NA	PeJP	NA	NA
+PJ105614	SSSDEEEW 	C39H53N9O20	967.3407	NA	PeJP	NA	NA
+PJ105615	NEEEMMW 	C40H57N9O15S2	967.3416	NA	PeJP	NA	NA
+PJ105616	GSDDDHHW 	C40H49N13O16	967.3421	NA	PeJP	NA	NA
+PJ105617	CCNNNNMR 	C33H57N15O13S3	967.3423	NA	PeJP	NA	NA
+PJ105618	PPTCCMMW 	C41H61N9O10S4	967.3425	NA	PeJP	NA	NA
+PJ105619	GPCCEHHW 	C41H53N13O11S2	967.3429	NA	PeJP	NA	NA
+PJ105620	SSQEEEEM 	C36H57N9O20S	967.3441	NA	PeJP	NA	NA
+PJ105621	SDEEYYY 	C44H53N7O18	967.3447	NA	PeJP	NA	NA
+PJ105622	SPNEEMMM 	C37H61N9O15S3	967.345	NA	PeJP	NA	NA
+PJ105623	GSSSCNNNW 	C37H53N13O16S	967.3454	NA	PeJP	NA	NA
+PJ105624	GGGGGGGSSSCW 	C37H53N13O16S	967.3455	NA	PeJP	NA	NA
+PJ105625	PCEMYYY 	C45H57N7O13S2	967.3456	NA	PeJP	NA	NA
+PJ105626	PPCQMMMM 	C38H65N9O10S5	967.3458	NA	PeJP	NA	NA
+PJ105627	SPCCCNRW 	C38H57N13O11S3	967.3463	NA	PeJP	NA	NA
+PJ105628	ACCNWWW 	C46H53N11O9S2	967.3469	NA	PeJP	NA	NA
+PJ105629	GCCQWWW 	C46H53N11O9S2	967.347	NA	PeJP	NA	NA
+PJ105630	GSSSSSNNND 	C33H53N13O21	967.3479	NA	PeJP	NA	NA
+PJ105631	GGGGGGGSSSSSD 	C33H53N13O21	967.348	NA	PeJP	NA	NA
+PJ105632	SCNNDEMR 	C34H57N13O16S2	967.3488	NA	PeJP	NA	NA
+PJ105633	TEMMMYY 	C42H61N7O13S3	967.349	NA	PeJP	NA	NA
+PJ105634	GSSCNEWW 	C42H53N11O14S	967.3495	NA	PeJP	NA	NA
+PJ105635	STCCMMHR 	C35H61N13O11S4	967.3497	NA	PeJP	NA	NA
+PJ105636	MMMMMFF 	C43H65N7O8S5	967.3499	NA	PeJP	NA	NA
+PJ105637	CNMMHFW 	C43H57N11O9S3	967.3503	NA	PeJP	NA	NA
+PJ105638	GSSSTNDDW 	C38H53N11O19	967.3519	NA	PeJP	NA	NA
+PJ105639	GSSSSNDEW 	C38H53N11O19	967.352	NA	PeJP	NA	NA
+PJ105640	DDDMMRW 	C39H57N11O14S2	967.3528	NA	PeJP	NA	NA
+PJ105641	GGGGGGPCEMF 	C39H57N11O14S2	967.3529	NA	PeJP	NA	NA
+PJ105642	PCDDFWW 	C47H53N9O12S	967.3535	NA	PeJP	NA	NA
+PJ105643	PCCCKMHF 	C40H61N11O9S4	967.3537	NA	PeJP	NA	NA
+PJ105644	GCCQHHHF 	C40H53N15O10S2	967.3542	NA	PeJP	NA	NA
+PJ105645	SSDDEEMR 	C35H57N11O19S	967.3553	NA	PeJP	NA	NA
+PJ105646	GSPDDEYW 	C43H53N9O17	967.356	NA	PeJP	NA	NA
+PJ105647	SPCDEMMR 	C36H61N11O14S3	967.3562	NA	PeJP	NA	NA
+PJ105648	GCDDEHHR 	C36H53N15O15S	967.3567	NA	PeJP	NA	NA
+PJ105649	GEEMMWW 	C44H57N9O12S2	967.3568	NA	PeJP	NA	NA
+PJ105650	GPPCDMYW 	C44H57N9O12S2	967.3569	NA	PeJP	NA	NA
+PJ105651	PPCCMMMR 	C37H65N11O9S5	967.3571	NA	PeJP	NA	NA
+PJ105652	TCCCKHHH 	C37H57N15O10S3	967.3575	NA	PeJP	NA	NA
+PJ105653	PCCHHWW 	C45H53N13O8S2	967.3582	NA	PeJP	NA	NA
+PJ105654	GSSSSSMYY 	C40H57N9O17S	967.3593	NA	PeJP	NA	NA
+PJ105655	GSTEEEMW 	C40H57N9O17S	967.3594	NA	PeJP	NA	NA
+PJ105656	DDDFFFY 	C48H53N7O15	967.36	NA	PeJP	NA	NA
+PJ105657	GGGGGSSCCQR 	C33H57N15O15S2	967.3601	NA	PeJP	NA	NA
+PJ105658	GSPEMMMW 	C41H61N9O12S3	967.3602	NA	PeJP	NA	NA
+PJ105659	GCNNNNFW 	C41H53N13O13S	967.3607	NA	PeJP	NA	NA
+PJ105660	PCCCCQRR 	C34H61N15O10S4	967.3609	NA	PeJP	NA	NA
+PJ105661	GSSTTEEEE 	C36H57N9O22	967.3618	NA	PeJP	NA	NA
+PJ105662	ASSTTDEEE 	C36H57N9O22	967.3619	NA	PeJP	NA	NA
+PJ105663	GDKEEEMM 	C37H61N9O17S2	967.3627	NA	PeJP	NA	NA
+PJ105664	GNNDDDRY 	C37H53N13O18	967.3632	NA	PeJP	NA	NA
+PJ105665	AEEMYYY 	C45H57N7O15S	967.3634	NA	PeJP	NA	NA
+PJ105666	APQEMMMM 	C38H65N9O12S4	967.3636	NA	PeJP	NA	NA
+PJ105667	SCCNNNKW 	C38H57N13O13S2	967.364	NA	PeJP	NA	NA
+PJ105668	GSCNDMRW 	C38H57N13O13S2	967.3641	NA	PeJP	NA	NA
+PJ105669	DMMMFFF 	C46H61N7O10S3	967.3642	NA	PeJP	NA	NA
+PJ105670	GNDDHHHH 	C38H49N17O14	967.3645	NA	PeJP	NA	NA
+PJ105671	SSCNWWW 	C46H53N11O11S	967.3647	NA	PeJP	NA	NA
+PJ105672	SSSSNNNQM 	C34H57N13O18S	967.3665	NA	PeJP	NA	NA
+PJ105673	GSSSNDDMR 	C34H57N13O18S	967.3666	NA	PeJP	NA	NA
+PJ105674	SSSSNDWW 	C42H53N11O16	967.3672	NA	PeJP	NA	NA
+PJ105675	GNNDMMMR 	C35H61N13O13S3	967.3674	NA	PeJP	NA	NA
+PJ105676	GGGGGDMMMR 	C35H61N13O13S3	967.3675	NA	PeJP	NA	NA
+PJ105677	VMMMMYY 	C43H65N7O10S4	967.3676	NA	PeJP	NA	NA
+PJ105678	SNNMMWW 	C43H57N11O11S2	967.3681	NA	PeJP	NA	NA
+PJ105679	SSSNQEMW 	C39H57N11O16S	967.3706	NA	PeJP	NA	NA
+PJ105680	SPDDYWW 	C47H53N9O14	967.3712	NA	PeJP	NA	NA
+PJ105681	NQQMMMW 	C40H61N11O11S3	967.3714	NA	PeJP	NA	NA
+PJ105682	GGQQMMMW 	C40H61N11O11S3	967.3715	NA	PeJP	NA	NA
+PJ105683	CDDHHRW 	C40H53N15O12S	967.3719	NA	PeJP	NA	NA
+PJ105684	EMMWWW 	C48H57N9O9S2	967.3721	NA	PeJP	NA	NA
+PJ105685	SSSSSQQEE 	C35H57N11O21	967.3731	NA	PeJP	NA	NA
+PJ105686	SSSSTTMMH 	C36H61N11O16S2	967.3739	NA	PeJP	NA	NA
+PJ105687	GSEEEMMR 	C36H61N11O16S2	967.374	NA	PeJP	NA	NA
+PJ105688	SSDDDHHR 	C36H53N15O17	967.3744	NA	PeJP	NA	NA
+PJ105689	GGGGGGGSPNDH 	C36H53N15O17	967.3745	NA	PeJP	NA	NA
+PJ105690	STEEMWW 	C44H57N9O14S	967.3746	NA	PeJP	NA	NA
+PJ105691	GPDMMMMR 	C37H65N11O11S4	967.3748	NA	PeJP	NA	NA
+PJ105692	SPCCEHHR 	C37H57N15O12S2	967.3753	NA	PeJP	NA	NA
+PJ105693	SPMMMWW 	C45H61N9O9S3	967.3755	NA	PeJP	NA	NA
+PJ105694	ACEHHWW 	C45H53N13O10S	967.3759	NA	PeJP	NA	NA
+PJ105695	GDMHHWW 	C45H53N13O10S	967.376	NA	PeJP	NA	NA
+PJ105696	SSTTEEEW 	C40H57N9O19	967.3771	NA	PeJP	NA	NA
+PJ105697	SSSSCNNNR 	C33H57N15O17S	967.3778	NA	PeJP	NA	NA
+PJ105698	DKEEMMW 	C41H61N9O14S2	967.378	NA	PeJP	NA	NA
+PJ105699	GSNNNNYW 	C41H53N13O15	967.3784	NA	PeJP	NA	NA
+PJ105700	GGGGGSNNYW 	C41H53N13O15	967.3785	NA	PeJP	NA	NA
+PJ105701	PPCYYYY 	C49H57N7O12S	967.3786	NA	PeJP	NA	NA
+PJ105702	GCCNEMRR 	C34H61N15O12S3	967.3787	NA	PeJP	NA	NA
+PJ105703	AAPMMMMW 	C42H65N9O9S4	967.3789	NA	PeJP	NA	NA
+PJ105704	SCCQRWW 	C42H57N13O10S2	967.3793	NA	PeJP	NA	NA
+PJ105705	SSKEEEEM 	C37H61N9O19S	967.3805	NA	PeJP	NA	NA
+PJ105706	TTEEYYY 	C45H57N7O17	967.3811	NA	PeJP	NA	NA
+PJ105707	AVQEEMMM 	C38H65N9O14S3	967.3813	NA	PeJP	NA	NA
+PJ105708	GLQEEMMM 	C38H65N9O14S3	967.3814	NA	PeJP	NA	NA
+PJ105709	SSSCNERW 	C38H57N13O15S	967.3818	NA	PeJP	NA	NA
+PJ105710	GGGGGGGGGAAMY 	C38H57N13O15S	967.3819	NA	PeJP	NA	NA
+PJ105711	PTMMYYY 	C46H61N7O12S2	967.382	NA	PeJP	NA	NA
+PJ105712	PPCKMMMM 	C39H69N9O9S5	967.3822	NA	PeJP	NA	NA
+PJ105713	GNNEYWW 	C46H53N11O13	967.3825	NA	PeJP	NA	NA
+PJ105714	CNQMMRW 	C39H61N13O10S3	967.3827	NA	PeJP	NA	NA
+PJ105715	SPCNHHHH 	C39H53N17O11S	967.3832	NA	PeJP	NA	NA
+PJ105716	GCCKWWW 	C47H57N11O8S2	967.3833	NA	PeJP	NA	NA
+PJ105717	SSSSSNDER 	C34H57N13O20	967.3843	NA	PeJP	NA	NA
+PJ105718	SSNNEMMR 	C35H61N13O15S2	967.3852	NA	PeJP	NA	NA
+PJ105719	NNNNNNQH 	C35H53N17O16	967.3856	NA	PeJP	NA	NA
+PJ105720	GGGGNNNNQH 	C35H53N17O16	967.3857	NA	PeJP	NA	NA
+PJ105721	GSSSQMWW 	C43H57N11O13S	967.3858	NA	PeJP	NA	NA
+PJ105722	GGGGGSPMYW 	C43H57N11O13S	967.3859	NA	PeJP	NA	NA
+PJ105723	PCCCQKMR 	C36H65N13O10S4	967.3861	NA	PeJP	NA	NA
+PJ105724	DEFWWW 	C51H53N9O11	967.3865	NA	PeJP	NA	NA
+PJ105725	GGGGGCMHHR 	C36H57N17O11S2	967.3866	NA	PeJP	NA	NA
+PJ105726	GSSSSTQEW 	C39H57N11O18	967.3883	NA	PeJP	NA	NA
+PJ105727	GGEEEERY 	C39H57N11O18	967.3884	NA	PeJP	NA	NA
+PJ105728	SEEMMRW 	C40H61N11O13S2	967.3892	NA	PeJP	NA	NA
+PJ105729	SSSNNHHW 	C40H53N15O14	967.3897	NA	PeJP	NA	NA
+PJ105730	GPEMYWW 	C48H57N9O11S	967.3899	NA	PeJP	NA	NA
+PJ105731	GCCKHHHF 	C41H57N15O9S2	967.3906	NA	PeJP	NA	NA
+PJ105732	SSTEEEMR 	C36H61N11O18S	967.3917	NA	PeJP	NA	NA
+PJ105733	GSSTQYYY 	C44H57N9O16	967.3923	NA	PeJP	NA	NA
+PJ105734	VNEEEYW 	C44H57N9O16	967.3924	NA	PeJP	NA	NA
+PJ105735	AAEEMMMR 	C37H65N11O13S3	967.3926	NA	PeJP	NA	NA
+PJ105736	GCNNNQRY 	C37H57N15O14S	967.393	NA	PeJP	NA	NA
+PJ105737	GGGCNNQRY 	C37H57N15O14S	967.3931	NA	PeJP	NA	NA
+PJ105738	SVEMMWW 	C45H61N9O11S2	967.3932	NA	PeJP	NA	NA
+PJ105739	SSEHHWW 	C45H53N13O12	967.3937	NA	PeJP	NA	NA
+PJ105740	CCNMRRW 	C38H61N15O9S3	967.3939	NA	PeJP	NA	NA
+PJ105741	SSSLEEMW 	C41H61N9O16S	967.3957	NA	PeJP	NA	NA
+PJ105742	GGGLEEEMF 	C41H61N9O16S	967.3958	NA	PeJP	NA	NA
+PJ105743	APEYYYY 	C49H57N7O14	967.3964	NA	PeJP	NA	NA
+PJ105744	LQEMMMW 	C42H65N9O11S3	967.3966	NA	PeJP	NA	NA
+PJ105745	GSSSCRWW 	C42H57N13O12S	967.3971	NA	PeJP	NA	NA
+PJ105746	PCCCCKRR 	C35H65N15O9S4	967.3973	NA	PeJP	NA	NA
+PJ105747	NNYWWW 	C50H53N11O10	967.3977	NA	PeJP	NA	NA
+PJ105748	SSSSTLEEE 	C37H61N9O21	967.3982	NA	PeJP	NA	NA
+PJ105749	ATKEEEMM 	C38H65N9O16S2	967.3991	NA	PeJP	NA	NA
+PJ105750	GSSSSSDRW 	C38H57N13O17	967.3996	NA	PeJP	NA	NA
+PJ105751	SLEMYYY 	C46H61N7O14S	967.3997	NA	PeJP	NA	NA
+PJ105752	APKEMMMM 	C39H69N9O11S4	967.4	NA	PeJP	NA	NA
+PJ105753	GSSNMMRW 	C39H61N13O12S2	967.4004	NA	PeJP	NA	NA
+PJ105754	GGGSSMMRW 	C39H61N13O12S2	967.4005	NA	PeJP	NA	NA
+PJ105755	VMMMFFY 	C47H65N7O9S3	967.4006	NA	PeJP	NA	NA
+PJ105756	GSQEHHHH 	C39H53N17O13	967.4009	NA	PeJP	NA	NA
+PJ105757	GNQMFWW 	C47H57N11O10S	967.4011	NA	PeJP	NA	NA
+PJ105758	GSSSSQEMR 	C35H61N13O17S	967.4029	NA	PeJP	NA	NA
+PJ105759	GGGSSSTEMR 	C35H61N13O17S	967.403	NA	PeJP	NA	NA
+PJ105760	SSSSTQWW 	C43H57N11O15	967.4036	NA	PeJP	NA	NA
+PJ105761	DEMMMRR 	C36H65N13O12S3	967.4038	NA	PeJP	NA	NA
+PJ105762	SSCNQHHR 	C36H57N17O13S	967.4043	NA	PeJP	NA	NA
+PJ105763	SCQKMWW 	C44H61N11O10S2	967.4045	NA	PeJP	NA	NA
+PJ105764	NNNHHFW 	C44H53N15O11	967.4049	NA	PeJP	NA	NA
+PJ105765	GGGGNHHFW 	C44H53N15O11	967.405	NA	PeJP	NA	NA
+PJ105766	PMYWWW 	C52H57N9O8S	967.4051	NA	PeJP	NA	NA
+PJ105767	SSSNKEMW 	C40H61N11O15S	967.407	NA	PeJP	NA	NA
+PJ105768	GVEEYWW 	C48H57N9O13	967.4076	NA	PeJP	NA	NA
+PJ105769	VDMMMRW 	C41H65N11O10S3	967.4078	NA	PeJP	NA	NA
+PJ105770	GGGAKMMMW 	C41H65N11O10S3	967.4079	NA	PeJP	NA	NA
+PJ105771	SDMHHRW 	C41H57N15O11S	967.4083	NA	PeJP	NA	NA
+PJ105772	APMMFWW 	C49H61N9O8S2	967.4085	NA	PeJP	NA	NA
+PJ105773	SSTTTTNQE 	C36H61N11O20	967.4094	NA	PeJP	NA	NA
+PJ105774	SSSSSQKEE 	C36H61N11O20	967.4095	NA	PeJP	NA	NA
+PJ105775	ATTEEMMR 	C37H65N11O15S2	967.4103	NA	PeJP	NA	NA
+PJ105776	GGGGTTKEMM 	C37H65N11O15S2	967.4104	NA	PeJP	NA	NA
+PJ105777	SSNNNNRY 	C37H57N15O16	967.4108	NA	PeJP	NA	NA
+PJ105778	GGGGGGGGGGLEH 	C37H57N15O16	967.4109	NA	PeJP	NA	NA
+PJ105779	PDKEMYW 	C45H61N9O13S	967.411	NA	PeJP	NA	NA
+PJ105780	APTMMMMR 	C38H69N11O10S4	967.4112	NA	PeJP	NA	NA
+PJ105781	GSTCCRRW 	C38H61N15O11S2	967.4117	NA	PeJP	NA	NA
+PJ105782	ALMMMWW 	C46H65N9O8S3	967.4119	NA	PeJP	NA	NA
+PJ105783	GCNFRWW 	C46H57N13O9S	967.4123	NA	PeJP	NA	NA
+PJ105784	TTTTTEEW 	C41H61N9O18	967.4135	NA	PeJP	NA	NA
+PJ105785	GSSSSCERR 	C34H61N15O16S	967.4142	NA	PeJP	NA	NA
+PJ105786	GTTLEMMW 	C42H65N9O13S2	967.4144	NA	PeJP	NA	NA
+PJ105787	SNNERYW 	C42H57N13O14	967.4148	NA	PeJP	NA	NA
+PJ105788	GGGGAPTEHW 	C42H57N13O14	967.4149	NA	PeJP	NA	NA
+PJ105789	PCLFYYY 	C50H61N7O11S	967.415	NA	PeJP	NA	NA
+PJ105790	GSCQMMRR 	C35H65N15O11S3	967.4151	NA	PeJP	NA	NA
+PJ105791	SCCKRWW 	C43H61N13O9S2	967.4157	NA	PeJP	NA	NA
+PJ105792	SQHHHHW 	C43H53N17O10	967.4162	NA	PeJP	NA	NA
+PJ105793	TTTKEEEM 	C38H65N9O18S	967.4169	NA	PeJP	NA	NA
+PJ105794	GLKEEMMM 	C39H69N9O13S3	967.4177	NA	PeJP	NA	NA
+PJ105795	SSSSQMRW 	C39H61N13O14S	967.4182	NA	PeJP	NA	NA
+PJ105796	VVMMYYY 	C47H65N7O11S2	967.4184	NA	PeJP	NA	NA
+PJ105797	GTQQYWW 	C47H57N11O12	967.4188	NA	PeJP	NA	NA
+PJ105798	EERYWW 	C47H57N11O12	967.4189	NA	PeJP	NA	NA
+PJ105799	CNKMMRW 	C40H65N13O9S3	967.4191	NA	PeJP	NA	NA
+PJ105800	AAQMHHHH 	C40H57N17O10S	967.4196	NA	PeJP	NA	NA
+PJ105801	SSSSSTQER 	C35H61N13O19	967.4207	NA	PeJP	NA	NA
+PJ105802	SSNDKMMR 	C36H65N13O14S2	967.4216	NA	PeJP	NA	NA
+PJ105803	GSSSSNHHR 	C36H57N17O15	967.422	NA	PeJP	NA	NA
+PJ105804	GGGSSSSHHR 	C36H57N17O15	967.4221	NA	PeJP	NA	NA
+PJ105805	GSSSKMWW 	C44H61N11O12S	967.4222	NA	PeJP	NA	NA
+PJ105806	GGGGGAAPMFF 	C44H61N11O12S	967.4223	NA	PeJP	NA	NA
+PJ105807	PCCCKKMR 	C37H69N13O9S4	967.4225	NA	PeJP	NA	NA
+PJ105808	VEYWWW 	C52H57N9O10	967.4229	NA	PeJP	NA	NA
+PJ105809	GSSSSTKEW 	C40H61N11O17	967.4247	NA	PeJP	NA	NA
+PJ105810	GGGAASPPPEE 	C40H61N11O17	967.4248	NA	PeJP	NA	NA
+PJ105811	GSTQKMMW 	C41H65N11O12S2	967.4256	NA	PeJP	NA	NA
+PJ105812	GSPNDHRW 	C41H57N15O13	967.4261	NA	PeJP	NA	NA
+PJ105813	SPVMYWW 	C49H61N9O10S	967.4262	NA	PeJP	NA	NA
+PJ105814	GLEMFWW 	C49H61N9O10S	967.4263	NA	PeJP	NA	NA
+PJ105815	AMMHHRW 	C42H61N15O8S2	967.4269	NA	PeJP	NA	NA
+PJ105816	TTTTEEMR 	C37H65N11O17S	967.4281	NA	PeJP	NA	NA
+PJ105817	TLQEEYW 	C45H61N9O15	967.4287	NA	PeJP	NA	NA
+PJ105818	VDKEEYW 	C45H61N9O15	967.4288	NA	PeJP	NA	NA
+PJ105819	GTLEMMMR 	C38H69N11O12S3	967.429	NA	PeJP	NA	NA
+PJ105820	SSSSCRRW 	C38H61N15O13S	967.4294	NA	PeJP	NA	NA
+PJ105821	GGGGDMRRY 	C38H61N15O13S	967.4295	NA	PeJP	NA	NA
+PJ105822	TTLMMWW 	C46H65N9O10S2	967.4296	NA	PeJP	NA	NA
+PJ105823	GSNRYWW 	C46H57N13O11	967.4301	NA	PeJP	NA	NA
+PJ105824	NMHHHHR 	C39H57N19O9S	967.4308	NA	PeJP	NA	NA
+PJ105825	SSSSSSDRR 	C34H61N15O18	967.4319	NA	PeJP	NA	NA
+PJ105826	STTTLEMW 	C42H65N9O15S	967.4321	NA	PeJP	NA	NA
+PJ105827	SPLYYYY 	C50H61N7O13	967.4328	NA	PeJP	NA	NA
+PJ105828	LKEMMMW 	C43H69N9O10S3	967.433	NA	PeJP	NA	NA
+PJ105829	ANQMRYW 	C43H61N13O11S	967.4334	NA	PeJP	NA	NA
+PJ105830	GQQMRYW 	C43H61N13O11S	967.4335	NA	PeJP	NA	NA
+PJ105831	VMMFFFF 	C51H65N7O8S2	967.4336	NA	PeJP	NA	NA
+PJ105832	GQHFFFW 	C51H57N11O9	967.4341	NA	PeJP	NA	NA
+PJ105833	SSTTTTLEE 	C38H65N9O20	967.4346	NA	PeJP	NA	NA
+PJ105834	STLKEEMM 	C39H69N9O15S2	967.4355	NA	PeJP	NA	NA
+PJ105835	ASSSSSTRW 	C39H61N13O16	967.4359	NA	PeJP	NA	NA
+PJ105836	GSSSSTTRW 	C39H61N13O16	967.436	NA	PeJP	NA	NA
+PJ105837	SPLKMMMM 	C40H73N9O10S4	967.4364	NA	PeJP	NA	NA
+PJ105838	GSTCKMRW 	C40H65N13O11S2	967.4368	NA	PeJP	NA	NA
+PJ105839	GGGGGVMMFR 	C40H65N13O11S2	967.4369	NA	PeJP	NA	NA
+PJ105840	NNNQHRW 	C40H57N17O12	967.4373	NA	PeJP	NA	NA
+PJ105841	GNKMFWW 	C48H61N11O9S	967.4375	NA	PeJP	NA	NA
+PJ105842	PFFWWW 	C56H57N9O7	967.4381	NA	PeJP	NA	NA
+PJ105843	GSSSSKEMR 	C36H65N13O16S	967.4393	NA	PeJP	NA	NA
+PJ105844	SSSSTKWW 	C44H61N11O14	967.44	NA	PeJP	NA	NA
+PJ105845	GSQKMMMR 	C37H69N13O11S3	967.4402	NA	PeJP	NA	NA
+PJ105846	GPCNEHRR 	C37H61N17O12S	967.4407	NA	PeJP	NA	NA
+PJ105847	SCKKMWW 	C45H65N11O9S2	967.4408	NA	PeJP	NA	NA
+PJ105848	PCLMRYW 	C45H65N11O9S2	967.4409	NA	PeJP	NA	NA
+PJ105849	GEHHFRW 	C45H57N15O10	967.4413	NA	PeJP	NA	NA
+PJ105850	LMFWWW 	C53H61N9O7S	967.4415	NA	PeJP	NA	NA
+PJ105851	SSTTQKMW 	C41H65N11O14S	967.4433	NA	PeJP	NA	NA
+PJ105852	SSSDKKMW 	C41H65N11O14S	967.4434	NA	PeJP	NA	NA
+PJ105853	ATLEYWW 	C49H61N9O12	967.444	NA	PeJP	NA	NA
+PJ105854	TLMMMRW 	C42H69N11O9S3	967.4442	NA	PeJP	NA	NA
+PJ105855	GCQRRYW 	C42H61N15O10S	967.4447	NA	PeJP	NA	NA
+PJ105856	GVHHFWW 	C50H57N13O8	967.4454	NA	PeJP	NA	NA
+PJ105857	SSSSSKKEE 	C37H65N11O19	967.4458	NA	PeJP	NA	NA
+PJ105858	SSSSTDKKE 	C37H65N11O19	967.4459	NA	PeJP	NA	NA
+PJ105859	STTLEMMR 	C38H69N11O14S2	967.4467	NA	PeJP	NA	NA
+PJ105860	GSSNERRY 	C38H61N15O15	967.4472	NA	PeJP	NA	NA
+PJ105861	VLQEMYW 	C46H65N9O12S	967.4474	NA	PeJP	NA	NA
+PJ105862	GVLMMMMR 	C39H73N11O9S4	967.4476	NA	PeJP	NA	NA
+PJ105863	PTFFFFY 	C54H61N7O10	967.448	NA	PeJP	NA	NA
+PJ105864	NNMMFRR 	C39H65N15O10S2	967.4481	NA	PeJP	NA	NA
+PJ105865	GSTHHHHR 	C39H57N19O11	967.4485	NA	PeJP	NA	NA
+PJ105866	GGGPNHHHR 	C39H57N19O11	967.4486	NA	PeJP	NA	NA
+PJ105867	LMHHHFF 	C47H61N13O8S	967.4487	NA	PeJP	NA	NA
+PJ105868	GTLKEEEY 	C42H65N9O17	967.4499	NA	PeJP	NA	NA
+PJ105869	GSSSSTMRR 	C35H65N15O15S	967.4506	NA	PeJP	NA	NA
+PJ105870	SSTLLMMW 	C43H69N9O12S2	967.4507	NA	PeJP	NA	NA
+PJ105871	GPLKEMMY 	C43H69N9O12S2	967.4508	NA	PeJP	NA	NA
+PJ105872	SNDKRYW 	C43H61N13O13	967.4512	NA	PeJP	NA	NA
+PJ105873	GGGGGGGGPPLW 	C43H61N13O13	967.4513	NA	PeJP	NA	NA
+PJ105874	VVMFFYY 	C51H65N7O10S	967.4514	NA	PeJP	NA	NA
+PJ105875	VKMMHHW 	C44H65N13O8S2	967.4521	NA	PeJP	NA	NA
+PJ105876	SKHHHHW 	C44H57N17O9	967.4526	NA	PeJP	NA	NA
+PJ105877	SSSTTLLEM 	C39H69N9O17S	967.4532	NA	PeJP	NA	NA
+PJ105878	SVLKEMMM 	C40H73N9O12S3	967.4541	NA	PeJP	NA	NA
+PJ105879	SSSSKMRW 	C40H65N13O13S	967.4546	NA	PeJP	NA	NA
+PJ105880	GTQKYWW 	C48H61N11O11	967.4552	NA	PeJP	NA	NA
+PJ105881	GGGGPKFYW 	C48H61N11O11	967.4553	NA	PeJP	NA	NA
+PJ105882	PMMMFRR 	C41H69N13O8S3	967.4555	NA	PeJP	NA	NA
+PJ105883	PCNHRRW 	C41H61N17O9S	967.4559	NA	PeJP	NA	NA
+PJ105884	HHFRWW 	C49H57N15O7	967.4566	NA	PeJP	NA	NA
+PJ105885	SSSSSTKER 	C36H65N13O18	967.4571	NA	PeJP	NA	NA
+PJ105886	SSTQKMMR 	C37H69N13O13S2	967.458	NA	PeJP	NA	NA
+PJ105887	NQEEHRR 	C37H61N17O14	967.4584	NA	PeJP	NA	NA
+PJ105888	GGGAEEHRR 	C37H61N17O14	967.4585	NA	PeJP	NA	NA
+PJ105889	ALEMRYW 	C45H65N11O11S	967.4586	NA	PeJP	NA	NA
+PJ105890	LMMMMRR 	C38H73N13O8S4	967.4588	NA	PeJP	NA	NA
+PJ105891	GPLFYWW 	C53H61N9O9	967.4593	NA	PeJP	NA	NA
+PJ105892	SSSSSSLKW 	C41H65N11O16	967.4611	NA	PeJP	NA	NA
+PJ105893	GSTKKMMW 	C42H69N11O11S2	967.462	NA	PeJP	NA	NA
+PJ105894	SSNRRYW 	C42H61N15O12	967.4624	NA	PeJP	NA	NA
+PJ105895	GGSSRRYW 	C42H61N15O12	967.4625	NA	PeJP	NA	NA
+PJ105896	GLLMYWW 	C50H65N9O9S	967.4626	NA	PeJP	NA	NA
+PJ105897	GSSTTKKEM 	C38H69N11O16S	967.4645	NA	PeJP	NA	NA
+PJ105898	TLKEEYW 	C46H65N9O14	967.4651	NA	PeJP	NA	NA
+PJ105899	GGGLLEEFF 	C46H65N9O14	967.4652	NA	PeJP	NA	NA
+PJ105900	SSLLMMMR 	C39H73N11O11S3	967.4654	NA	PeJP	NA	NA
+PJ105901	SQQMRRY 	C39H65N15O12S	967.4658	NA	PeJP	NA	NA
+PJ105902	GGGGGAPCKKH 	C39H65N15O12S	967.4659	NA	PeJP	NA	NA
+PJ105903	PLKMMYW 	C47H69N9O9S2	967.466	NA	PeJP	NA	NA
+PJ105904	SPQKHWW 	C47H61N13O10	967.4665	NA	PeJP	NA	NA
+PJ105905	SSSSSTTRR 	C35H65N15O17	967.4683	NA	PeJP	NA	NA
+PJ105906	GVLKEEMY 	C43H69N9O14S	967.4685	NA	PeJP	NA	NA
+PJ105907	ALLYYYY 	C51H65N7O12	967.4691	NA	PeJP	NA	NA
+PJ105908	SSTCKMRR 	C36H69N15O12S2	967.4692	NA	PeJP	NA	NA
+PJ105909	APLKMMMF 	C44H73N9O9S3	967.4694	NA	PeJP	NA	NA
+PJ105910	NDDHRRR 	C36H61N19O13	967.4697	NA	PeJP	NA	NA
+PJ105911	GQKMRYW 	C44H65N13O10S	967.4698	NA	PeJP	NA	NA
+PJ105912	GGAKMRYW 	C44H65N13O10S	967.4699	NA	PeJP	NA	NA
+PJ105913	PPVHFWW 	C52H61N11O8	967.4705	NA	PeJP	NA	NA
+PJ105914	TTTTTTTLE 	C39H69N9O19	967.471	NA	PeJP	NA	NA
+PJ105915	SSSSLLLMM 	C40H73N9O14S2	967.4719	NA	PeJP	NA	NA
+PJ105916	GSTQKERY 	C40H65N13O15	967.4723	NA	PeJP	NA	NA
+PJ105917	GGGTTKERY 	C40H65N13O15	967.4724	NA	PeJP	NA	NA
+PJ105918	VVVKMMMM 	C41H77N9O9S4	967.4727	NA	PeJP	NA	NA
+PJ105919	ALLKMMMM 	C41H77N9O9S4	967.4728	NA	PeJP	NA	NA
+PJ105920	APCCKKRY 	C41H69N13O10S2	967.4732	NA	PeJP	NA	NA
+PJ105921	GQEHRRW 	C41H61N17O11	967.4737	NA	PeJP	NA	NA
+PJ105922	ACKKFWW 	C49H65N11O8S	967.4739	NA	PeJP	NA	NA
+PJ105923	GSSTTTKMR 	C37H69N13O15S	967.4757	NA	PeJP	NA	NA
+PJ105924	TTLERYW 	C45H65N11O13	967.4764	NA	PeJP	NA	NA
+PJ105925	GSKKMMMR 	C38H73N13O10S3	967.4766	NA	PeJP	NA	NA
+PJ105926	SCQRRRY 	C38H65N17O11S	967.4771	NA	PeJP	NA	NA
+PJ105927	VVMMFRW 	C46H69N11O8S2	967.4772	NA	PeJP	NA	NA
+PJ105928	GVQHRWW 	C46H61N15O9	967.4777	NA	PeJP	NA	NA
+PJ105929	SSTTKKMW 	C42H69N11O13S	967.4797	NA	PeJP	NA	NA
+PJ105930	GGGVKKEMY 	C42H69N11O13S	967.4798	NA	PeJP	NA	NA
+PJ105931	STLLYWW 	C50H65N9O11	967.4804	NA	PeJP	NA	NA
+PJ105932	GCKRRYW 	C43H65N15O9S	967.4811	NA	PeJP	NA	NA
+PJ105933	SSSTTTKKE 	C38H69N11O18	967.4822	NA	PeJP	NA	NA
+PJ105934	SSKKKEMM 	C39H73N11O13S2	967.4831	NA	PeJP	NA	NA
+PJ105935	GSSDKRRY 	C39H65N15O14	967.4836	NA	PeJP	NA	NA
+PJ105936	VLKEMYW 	C47H69N9O11S	967.4838	NA	PeJP	NA	NA
+PJ105937	VVFFFFY 	C55H65N7O9	967.4844	NA	PeJP	NA	NA
+PJ105938	CQKMFRR 	C40H69N15O9S2	967.4845	NA	PeJP	NA	NA
+PJ105939	PEHHHRR 	C40H61N19O10	967.4849	NA	PeJP	NA	NA
+PJ105940	APTTTTTLY 	C43H69N9O16	967.4862	NA	PeJP	NA	NA
+PJ105941	SSLLKEEY 	C43H69N9O16	967.4863	NA	PeJP	NA	NA
+PJ105942	SPVLKMMY 	C44H73N9O11S2	967.4871	NA	PeJP	NA	NA
+PJ105943	STQKRYW 	C44H65N13O12	967.4876	NA	PeJP	NA	NA
+PJ105944	GSPCHRRR 	C37H65N19O10S	967.4883	NA	PeJP	NA	NA
+PJ105945	QHRRWW 	C45H61N17O8	967.4889	NA	PeJP	NA	NA
+PJ105946	GAHRRWW 	C45H61N17O8	967.489	NA	PeJP	NA	NA
+PJ105947	STTTTTLLM 	C40H73N9O16S	967.4896	NA	PeJP	NA	NA
+PJ105948	TTLLKMMM 	C41H77N9O11S3	967.4905	NA	PeJP	NA	NA
+PJ105949	TLEMRRY 	C41H69N13O12S	967.491	NA	PeJP	NA	NA
+PJ105950	GTKKYWW 	C49H65N11O10	967.4916	NA	PeJP	NA	NA
+PJ105951	CLHHFRR 	C42H65N17O8S	967.4923	NA	PeJP	NA	NA
+PJ105952	SSSTTTTKR 	C37H69N13O17	967.4935	NA	PeJP	NA	NA
+PJ105953	SSTKKMMR 	C38H73N13O12S2	967.4943	NA	PeJP	NA	NA
+PJ105954	GSSCCKKKK 	C38H73N13O12S2	967.4944	NA	PeJP	NA	NA
+PJ105955	GSSSRRRY 	C38H65N17O13	967.4948	NA	PeJP	NA	NA
+PJ105956	SLLMRYW 	C46H69N11O10S	967.495	NA	PeJP	NA	NA
+PJ105957	GLLFFWW 	C54H65N9O8	967.4957	NA	PeJP	NA	NA
+PJ105958	SSTLLERY 	C42H69N11O15	967.4975	NA	PeJP	NA	NA
+PJ105959	AALLMMRY 	C43H73N11O10S2	967.4984	NA	PeJP	NA	NA
+PJ105960	PPQERRW 	C43H65N15O11	967.4988	NA	PeJP	NA	NA
+PJ105961	GAPPERRW 	C43H65N15O11	967.4989	NA	PeJP	NA	NA
+PJ105962	PLKMFFW 	C51H69N9O8S	967.499	NA	PeJP	NA	NA
+PJ105963	SSSSTLKKM 	C39H73N11O15S	967.5009	NA	PeJP	NA	NA
+PJ105964	SSSLLLYW 	C47H69N9O13	967.5015	NA	PeJP	NA	NA
+PJ105965	ATKKKMMM 	C40H77N11O10S3	967.5017	NA	PeJP	NA	NA
+PJ105966	SQKMRRY 	C40H69N15O11S	967.5022	NA	PeJP	NA	NA
+PJ105967	LLKMMFW 	C48H73N9O8S2	967.5024	NA	PeJP	NA	NA
+PJ105968	PPVQRWW 	C48H65N13O9	967.5029	NA	PeJP	NA	NA
+PJ105969	ATLLKEMY 	C44H73N9O13S	967.5049	NA	PeJP	NA	NA
+PJ105970	SQEHRRR 	C37H65N19O12	967.5061	NA	PeJP	NA	NA
+PJ105971	GKKMRYW 	C45H69N13O9S	967.5062	NA	PeJP	NA	NA
+PJ105972	GSTKKERY 	C41H69N13O14	967.5087	NA	PeJP	NA	NA
+PJ105973	GGPPVKEER 	C41H69N13O14	967.5088	NA	PeJP	NA	NA
+PJ105974	VLMMRRY 	C42H73N13O9S2	967.5096	NA	PeJP	NA	NA
+PJ105975	GKEHRRW 	C42H65N17O10	967.5101	NA	PeJP	NA	NA
+PJ105976	SKKKEYW 	C46H69N11O12	967.5127	NA	PeJP	NA	NA
+PJ105977	TDKKKYW 	C46H69N11O12	967.5128	NA	PeJP	NA	NA
+PJ105978	CCCKKKKK 	C39H77N13O9S3	967.513	NA	PeJP	NA	NA
+PJ105979	SCKRRRY 	C39H69N17O10S	967.5134	NA	PeJP	NA	NA
+PJ105980	SPPPCRRR 	C39H69N17O10S	967.5135	NA	PeJP	NA	NA
+PJ105981	APPRRWW 	C47H65N15O8	967.5141	NA	PeJP	NA	NA
+PJ105982	ATTLLMRY 	C43H73N11O12S	967.5161	NA	PeJP	NA	NA
+PJ105983	GGGGGPPLLLM 	C43H73N11O12S	967.5162	NA	PeJP	NA	NA
+PJ105984	PVLKYYW 	C51H69N9O10	967.5168	NA	PeJP	NA	NA
+PJ105985	LKMHHFR 	C44H69N15O8S	967.5175	NA	PeJP	NA	NA
+PJ105986	STTTTTTKK 	C39H73N11O17	967.5186	NA	PeJP	NA	NA
+PJ105987	TTTKKKMM 	C40H77N11O12S2	967.5195	NA	PeJP	NA	NA
+PJ105988	GSTTKRRY 	C40H69N15O13	967.52	NA	PeJP	NA	NA
+PJ105989	GPLLKMFY 	C48H73N9O10S	967.5202	NA	PeJP	NA	NA
+PJ105990	CKKMFRR 	C41H73N15O8S2	967.5208	NA	PeJP	NA	NA
+PJ105991	GTHRRRW 	C41H65N19O9	967.5213	NA	PeJP	NA	NA
+PJ105992	TTTLLKEY 	C44H73N9O15	967.5226	NA	PeJP	NA	NA
+PJ105993	GPPTLLLEE 	C44H73N9O15	967.5227	NA	PeJP	NA	NA
+PJ105994	GLLLKMMY 	C45H77N9O10S2	967.5235	NA	PeJP	NA	NA
+PJ105995	STKKRYW 	C45H69N13O11	967.524	NA	PeJP	NA	NA
+PJ105996	VNMHRRR 	C38H69N19O9S	967.5247	NA	PeJP	NA	NA
+PJ105997	KHRRWW 	C46H65N17O7	967.5253	NA	PeJP	NA	NA
+PJ105998	DKKKMRY 	C42H73N13O11S	967.5274	NA	PeJP	NA	NA
+PJ105999	TLLLHWW 	C50H69N11O9	967.528	NA	PeJP	NA	NA
+PJ106000	GPPTERRR 	C39H69N17O12	967.5312	NA	PeJP	NA	NA
+PJ106001	CLKKKYW 	C47H73N11O9S	967.5314	NA	PeJP	NA	NA
+2966	maculatin 2,1, from Litoria genimaculata	GFVDFLKKVAGTIANVVTG	967.5324	MH2+	Inhouse_peptide	NA	peptide
+PJ106002	TTTTLLRY 	C43H73N11O14	967.5339	NA	PeJP	NA	NA
+PJ106003	GVKKKMMF 	C44H77N11O9S2	967.5348	NA	PeJP	NA	NA
+PJ106004	PPKERRW 	C44H69N15O10	967.5352	NA	PeJP	NA	NA
+PJ106005	GMHRRRR 	C37H69N21O8S	967.5359	NA	PeJP	NA	NA
+PJ106006	PPTLLLEW 	C48H73N9O12	967.5379	NA	PeJP	NA	NA
+2848	NA	YGGFLRARKSARKLANQ	967.53795	MH2+	Inhouse_peptide	NA	peptide
+PJ106007	SKKMRRY 	C41H73N15O10S	967.5386	NA	PeJP	NA	NA
+PJ106008	PPVKRWW 	C49H69N13O8	967.5393	NA	PeJP	NA	NA
+PJ106009	STLLLKMY 	C45H77N9O12S	967.5413	NA	PeJP	NA	NA
+PJ106010	SKEHRRR 	C38H69N19O11	967.5424	NA	PeJP	NA	NA
+PJ106011	GGAAPQRRR 	C38H69N19O11	967.5425	NA	PeJP	NA	NA
+PJ106012	LLLMHRW 	C46H73N13O8S	967.5426	NA	PeJP	NA	NA
+PJ106013	SSSLKKRY 	C42H73N13O13	967.5451	NA	PeJP	NA	NA
+PJ106014	GGGGGGGPVLLK 	C42H73N13O13	967.5452	NA	PeJP	NA	NA
+PJ106015	KKKMMFR 	C43H77N13O8S2	967.546	NA	PeJP	NA	NA
+PJ106016	PPTRRRW 	C43H69N17O9	967.5465	NA	PeJP	NA	NA
+PJ106017	SSLLLLHW 	C47H73N11O11	967.5491	NA	PeJP	NA	NA
+PJ106018	APPLKKEW 	C47H73N11O11	967.5492	NA	PeJP	NA	NA
+PJ106019	GPPVMRRR 	C40H73N17O9S	967.5498	NA	PeJP	NA	NA
+PJ106020	GTLKKKMY 	C44H77N11O11S	967.5525	NA	PeJP	NA	NA
+PJ106021	VLLKFYW 	C52H73N9O9	967.5532	NA	PeJP	NA	NA
+PJ106022	STHRRRR 	C37H69N21O10	967.5537	NA	PeJP	NA	NA
+PJ106023	SPPVKERR 	C41H73N15O12	967.5564	NA	PeJP	NA	NA
+PJ106024	PPVLLLMW 	C49H77N9O9S	967.5565	NA	PeJP	NA	NA
+PJ106025	LLHHHRR 	C42H69N19O8	967.5577	NA	PeJP	NA	NA
+PJ106026	AAPLLLLEE 	C45H77N9O14	967.559	NA	PeJP	NA	NA
+PJ106027	AAPILLLEE 	C45H77N9O14	967.5591	NA	PeJP	NA	NA
+PJ106028	APPTLKRW 	C46H73N13O10	967.5604	NA	PeJP	NA	NA
+PJ106029	PPMRRRR 	C39H73N19O8S	967.5611	NA	PeJP	NA	NA
+PJ106030	SVLLLMHR 	C43H77N13O10S	967.5638	NA	PeJP	NA	NA
+PJ106031	AAPLERRR 	C40H73N17O11	967.5676	NA	PeJP	NA	NA
+PJ106032	STTLKKKY 	C44H77N11O13	967.5703	NA	PeJP	NA	NA
+PJ106033	PLLQRRW 	C45H73N15O9	967.5716	NA	PeJP	NA	NA
+PJ106034	PVVLLLEW 	C49H77N9O11	967.5743	NA	PeJP	NA	NA
+PJ106035	APPLKMRR 	C42H77N15O9S	967.575	NA	PeJP	NA	NA
+PJ106036	APPTLLLLM 	C46H81N9O11S	967.5777	NA	PeJP	NA	NA
+PJ106037	PVERRRR 	C39H73N19O10	967.5788	NA	PeJP	NA	NA
+PJ106038	PPTLKKER 	C43H77N13O12	967.5815	NA	PeJP	NA	NA
+PJ106039	PKKHFRR 	C44H73N17O8	967.5828	NA	PeJP	NA	NA
+PJ106040	PVVRRRW 	C44H73N17O8	967.5829	NA	PeJP	NA	NA
+PJ106041	SPPLLKKW 	C48H77N11O10	967.5855	NA	PeJP	NA	NA
+PJ106042	LKKMHRR 	C41H77N17O8S	967.5862	NA	PeJP	NA	NA
+PJ106043	TLLLLKMH 	C45H81N11O10S	967.5889	NA	PeJP	NA	NA
+PJ106044	PPTTLKRR 	C42H77N15O11	967.5927	NA	PeJP	NA	NA
+PJ106045	GPLLKERR 	C42H77N15O11	967.5928	NA	PeJP	NA	NA
+PJ106046	GPTLLLLLE 	C46H81N9O13	967.5954	NA	PeJP	NA	NA
+PJ106047	GPVLLKRW 	C47H77N13O9	967.5968	NA	PeJP	NA	NA
+PJ106048	PPVLKKMR 	C44H81N13O9S	967.6001	NA	PeJP	NA	NA
+PJ106049	GPTLLRRR 	C41H77N17O10	967.604	NA	PeJP	NA	NA
+PJ106050	PLLLQKKE 	C45H81N11O12	967.6067	NA	PeJP	NA	NA
+HMDB04877	Trihexosylceramide (d18:1/12:0)	C48H89NO18	967.607971	NA	HMDB2010	NA	NA
+PJ106051	PLLKRRW 	C46H77N15O8	967.608	NA	PeJP	NA	NA
+PJ106052	PTLLLLLW 	C50H81N9O10	967.6107	NA	PeJP	NA	NA
+PJ106053	GPVLLLLLM 	C47H85N9O10S	967.6141	NA	PeJP	NA	NA
+PJ106054	PQKKRRR 	C40H77N19O9	967.6152	NA	PeJP	NA	NA
+PJ106055	PVVLKKER 	C44H81N13O11	967.6179	NA	PeJP	NA	NA
+MJ098879	BZR-Cotoxin I 	C48H85N7O13	967.620535	NA	MeJP	NA	NA
+PJ106056	APLLLKKW 	C49H81N11O9	967.6219	NA	PeJP	NA	NA
+PJ106057	PLLLLLMR 	C46H85N11O9S	967.6253	NA	PeJP	NA	NA
+PJ106058	SPVLLKRR 	C43H81N15O10	967.6291	NA	PeJP	NA	NA
+PJ106059	AALLLLLLE 	C47H85N9O12	967.6318	NA	PeJP	NA	NA
+PJ106060	AALLLRRR 	C42H81N17O9	967.6404	NA	PeJP	NA	NA
+PJ106061	VLLLLLER 	C46H85N11O11	967.643	NA	PeJP	NA	NA
+PJ106062	LLLLLLDR 	C46H85N11O11	967.6431	NA	PeJP	NA	NA
+PJ106063	VVLLLLLW 	C51H85N9O9	967.6471	NA	PeJP	NA	NA
+PJ106064	VLLRRRR 	C41H81N19O8	967.6516	NA	PeJP	NA	NA
+PJ106065	PTLLLKKR 	C45H85N13O10	967.6543	NA	PeJP	NA	NA
+PJ106066	GLLLLKRR 	C44H85N15O9	967.6655	NA	PeJP	NA	NA
+PJ106067	GTLLLLLLL 	C48H89N9O11	967.6682	NA	PeJP	NA	NA
+PJ106068	LLLLLQKK 	C47H89N11O10	967.6794	NA	PeJP	NA	NA
+PJ106069	VVLLLKKR 	C46H89N13O9	967.6907	NA	PeJP	NA	NA
+PJ106070	LLLLLKKK 	C48H93N11O9	967.7158	NA	PeJP	NA	NA
+3114	adrenocorticotropin hormone fr,: 1-16	SYSMEHFRWGKPVGKK	967.9797	MH2+	Inhouse_peptide	NA	peptide
+MJ098880	Amariin 	C41H28O28	968.07671	NA	MeJP	NA	NA
+MJ098881	Furosinin; 1-O-(3,4,5-Trihydroxybenzoyl) 	C41H28O28	968.07671	NA	MeJP	NA	NA
+PJ106071	CCCCCCCND 	C29H48N10O13S7	968.1448	NA	PeJP	NA	NA
+PJ106072	SCCCCCCNM 	C30H52N10O12S7	968.1812	NA	PeJP	NA	NA
+PJ106073	GSSTCCCCCC 	C30H52N10O14S6	968.1989	NA	PeJP	NA	NA
+PJ106074	GCCCCCCQF 	C34H52N10O11S6	968.2142	NA	PeJP	NA	NA
+PJ106075	SSSSSCCCCC 	C30H52N10O16S5	968.2167	NA	PeJP	NA	NA
+PJ106076	TCCCCCCCK 	C31H56N10O11S7	968.2175	NA	PeJP	NA	NA
+PJ106077	CCCCDEMY 	C35H52N8O14S5	968.2207	NA	PeJP	NA	NA
+PJ106078	GCCCCNDDH 	C32H48N12O15S4	968.2245	NA	PeJP	NA	NA
+PJ106079	GGGCCCCDDH 	C32H48N12O15S4	968.2246	NA	PeJP	NA	NA
+PJ106080	GSCCCCCQY 	C34H52N10O13S5	968.2319	NA	PeJP	NA	NA
+PJ106081	CCCCEMMF 	C36H56N8O11S6	968.2393	NA	PeJP	NA	NA
+PJ106082	SPCCCCCNH 	C33H52N12O12S5	968.2432	NA	PeJP	NA	NA
+PJ106083	SSSCCCCNY 	C34H52N10O15S4	968.2497	NA	PeJP	NA	NA
+PJ106084	GCCCCCCKF 	C35H56N10O10S6	968.2506	NA	PeJP	NA	NA
+PJ106085	PCCCCDYY 	C39H52N8O13S4	968.2537	NA	PeJP	NA	NA
+PJ106086	DDDDDDEM 	C34H48N8O23S	968.2554	NA	PeJP	NA	NA
+PJ106087	SCCCEMMY 	C36H56N8O13S5	968.2571	NA	PeJP	NA	NA
+PJ106088	GCCNNNDDD 	C32H48N12O19S2	968.2601	NA	PeJP	NA	NA
+PJ106089	GSCCCNDMH 	C33H52N12O14S4	968.2609	NA	PeJP	NA	NA
+PJ106090	CCDDDDHF 	C37H48N10O17S2	968.2641	NA	PeJP	NA	NA
+PJ106091	CCCCNNFY 	C38H52N10O12S4	968.2649	NA	PeJP	NA	NA
+PJ106092	GGGGCCCCFY 	C38H52N10O12S4	968.265	NA	PeJP	NA	NA
+PJ106093	GSCNDDDDE 	C33H48N10O22S	968.2666	NA	PeJP	NA	NA
+PJ106094	APCCCNDDE 	C34H52N10O17S3	968.2674	NA	PeJP	NA	NA
+PJ106095	GPCCNDDDM 	C34H52N10O17S3	968.2675	NA	PeJP	NA	NA
+PJ106096	GSCCCCCKY 	C35H56N10O12S5	968.2683	NA	PeJP	NA	NA
+PJ106097	CCCDDHHH 	C35H48N14O13S3	968.2688	NA	PeJP	NA	NA
+PJ106098	GCCDDMYY 	C39H52N8O15S3	968.2715	NA	PeJP	NA	NA
+PJ106099	PCCCCMFY 	C40H56N8O10S5	968.2723	NA	PeJP	NA	NA
+PJ106100	GCCMMMMY 	C37H60N8O10S6	968.2757	NA	PeJP	NA	NA
+PJ106101	SCCCCQHW 	C37H52N12O11S4	968.2762	NA	PeJP	NA	NA
+PJ106102	SSSCCCNEH 	C33H52N12O16S3	968.2787	NA	PeJP	NA	NA
+PJ106103	CCCNQMMH 	C34H56N12O11S5	968.2795	NA	PeJP	NA	NA
+PJ106104	GGGACCCMMH 	C34H56N12O11S5	968.2796	NA	PeJP	NA	NA
+PJ106105	SCNDDDDW 	C37H48N10O19S	968.2818	NA	PeJP	NA	NA
+PJ106106	PCCCNDEW 	C38H52N10O14S3	968.2827	NA	PeJP	NA	NA
+PJ106107	SSSNDDDDD 	C33H48N10O24	968.2843	NA	PeJP	NA	NA
+PJ106108	NNDDDDMM 	C34H52N10O19S2	968.2852	NA	PeJP	NA	NA
+PJ106109	SCDDMMMH 	C35H56N10O14S4	968.2861	NA	PeJP	NA	NA
+PJ106110	CCCEYYW 	C43H52N8O12S3	968.2867	NA	PeJP	NA	NA
+PJ106111	PDDDDDDY 	C38H48N8O22	968.2884	NA	PeJP	NA	NA
+PJ106112	SSCCDEYY 	C39H52N8O17S2	968.2892	NA	PeJP	NA	NA
+PJ106113	GCCCNNNNQ 	C32H52N14O15S3	968.2899	NA	PeJP	NA	NA
+PJ106114	GGGGGGGGGGACCC 	C32H52N14O15S3	968.29	NA	PeJP	NA	NA
+PJ106115	SPCCCMYY 	C40H56N8O12S4	968.2901	NA	PeJP	NA	NA
+PJ106116	CCCCNMHR 	C33H56N14O10S5	968.2908	NA	PeJP	NA	NA
+PJ106117	SDDDEEEM 	C35H52N8O22S	968.2917	NA	PeJP	NA	NA
+PJ106118	PDDDDMMM 	C36H56N8O17S3	968.2926	NA	PeJP	NA	NA
+PJ106119	STCCMMMY 	C37H60N8O12S5	968.2935	NA	PeJP	NA	NA
+PJ106120	GSSSCCCHW 	C37H52N12O13S3	968.2939	NA	PeJP	NA	NA
+PJ106121	GGGGCCCEHF 	C37H52N12O13S3	968.294	NA	PeJP	NA	NA
+PJ106122	CCNDDDER 	C33H52N12O18S2	968.2964	NA	PeJP	NA	NA
+PJ106123	GGCCDDDER 	C33H52N12O18S2	968.2965	NA	PeJP	NA	NA
+PJ106124	GSSCCNMMH 	C34H56N12O13S4	968.2973	NA	PeJP	NA	NA
+PJ106125	GPCCCDWW 	C42H52N10O11S3	968.298	NA	PeJP	NA	NA
+PJ106126	NNDDDDDF 	C37H48N10O21	968.2996	NA	PeJP	NA	NA
+PJ106127	GCNDDEMW 	C38H52N10O16S2	968.3005	NA	PeJP	NA	NA
+PJ106128	GPPTCCCCW 	C39H56N10O11S4	968.3013	NA	PeJP	NA	NA
+PJ106129	GSSNDDDEM 	C34H52N10O21S	968.303	NA	PeJP	NA	NA
+PJ106130	GSPCNDDMM 	C35H56N10O16S3	968.3038	NA	PeJP	NA	NA
+PJ106131	CNNDDDHH 	C35H48N14O17S	968.3043	NA	PeJP	NA	NA
+PJ106132	GCCDDFFY 	C43H52N8O14S2	968.3045	NA	PeJP	NA	NA
+PJ106133	GCEMMMMH 	C36H60N10O11S5	968.3047	NA	PeJP	NA	NA
+PJ106134	SCCDMHHH 	C36H52N14O12S3	968.3052	NA	PeJP	NA	NA
+PJ106135	PCCCCFFF 	C44H56N8O9S4	968.3054	NA	PeJP	NA	NA
+PJ106136	PDDDDDMF 	C39H52N8O19S	968.307	NA	PeJP	NA	NA
+PJ106137	SSCCNNNNN 	C32H52N14O17S2	968.3077	NA	PeJP	NA	NA
+PJ106138	GSCDMMYY 	C40H56N8O14S3	968.3078	NA	PeJP	NA	NA
+PJ106139	GSTCCCCHR 	C33H56N14O12S4	968.3085	NA	PeJP	NA	NA
+PJ106140	GGGPCCCCNR 	C33H56N14O12S4	968.3086	NA	PeJP	NA	NA
+PJ106141	GCCMMMFF 	C41H60N8O9S5	968.3087	NA	PeJP	NA	NA
+PJ106142	GCCCNHFW 	C41H52N12O10S3	968.3092	NA	PeJP	NA	NA
+C16244	Cobalt-precorrin 7	C45H57CoN4O16	968.3102	NA	KEGG	NA	NA
+PJ106143	GDEEEEMM 	C36H56N8O19S2	968.3104	NA	PeJP	NA	NA
+PJ106144	SDDDDEHH 	C36H48N12O20	968.3108	NA	PeJP	NA	NA
+PJ106145	GCCDDDRW 	C37H52N12O15S2	968.3117	NA	PeJP	NA	NA
+PJ106146	SCCCCKHW 	C38H56N12O10S4	968.3126	NA	PeJP	NA	NA
+PJ106147	GSSCDDDDR 	C33H52N12O20S	968.3142	NA	PeJP	NA	NA
+PJ106148	GSPCCCDER 	C34H56N12O15S3	968.3151	NA	PeJP	NA	NA
+PJ106149	CNDDMWW 	C42H52N10O13S2	968.3157	NA	PeJP	NA	NA
+PJ106150	GPPCCCCMR 	C35H60N12O10S5	968.3159	NA	PeJP	NA	NA
+PJ106151	SSNDDDMW 	C38H52N10O18S	968.3182	NA	PeJP	NA	NA
+PJ106152	SPCCNEMW 	C39H56N10O13S3	968.3191	NA	PeJP	NA	NA
+PJ106153	CMMMMHW 	C40H60N10O8S5	968.32	NA	PeJP	NA	NA
+PJ106154	SSSSNDDEE 	C34H52N10O23	968.3207	NA	PeJP	NA	NA
+PJ106155	SNNDEEMM 	C35H56N10O18S2	968.3216	NA	PeJP	NA	NA
+PJ106156	CNDEYYY 	C43H52N8O16S	968.3222	NA	PeJP	NA	NA
+PJ106157	SSDMMMMH 	C36H60N10O13S4	968.3225	NA	PeJP	NA	NA
+PJ106158	GSPCCNDHH 	C36H52N14O14S2	968.3229	NA	PeJP	NA	NA
+PJ106159	TCCMYYW 	C44H56N8O11S3	968.3231	NA	PeJP	NA	NA
+PJ106160	ACCMMHHH 	C37H56N14O9S4	968.3238	NA	PeJP	NA	NA
+PJ106161	SPDDDEEY 	C39H52N8O21	968.3247	NA	PeJP	NA	NA
+PJ106162	GDDEEEEF 	C39H52N8O21	968.3248	NA	PeJP	NA	NA
+PJ106163	DEEEMMW 	C40H56N8O16S2	968.3256	NA	PeJP	NA	NA
+PJ106164	SSSSCCCHR 	C33H56N14O14S3	968.3263	NA	PeJP	NA	NA
+PJ106165	CQMMMYY 	C41H60N8O11S4	968.3265	NA	PeJP	NA	NA
+PJ106166	GSCCNNWW 	C41H52N12O12S2	968.3269	NA	PeJP	NA	NA
+PJ106167	GGGSCCNWW 	C41H52N12O12S2	968.327	NA	PeJP	NA	NA
+PJ106168	SSEEEEEM 	C36H56N8O21S	968.3281	NA	PeJP	NA	NA
+PJ106169	SPDEEMMM 	C37H60N8O16S3	968.329	NA	PeJP	NA	NA
+PJ106170	GSSSCNNDW 	C37H52N12O17S	968.3294	NA	PeJP	NA	NA
+PJ106171	GGGSSSCNDW 	C37H52N12O17S	968.3295	NA	PeJP	NA	NA
+PJ106172	PPCEMMMM 	C38H64N8O11S5	968.3299	NA	PeJP	NA	NA
+PJ106173	SPCCCDRW 	C38H56N12O12S3	968.3303	NA	PeJP	NA	NA
+PJ106174	GCCEWWW 	C46H52N10O10S2	968.331	NA	PeJP	NA	NA
+PJ106175	GSSSSSNNDD 	C33H52N12O22	968.3319	NA	PeJP	NA	NA
+PJ106176	GGGSSSSSNDD 	C33H52N12O22	968.332	NA	PeJP	NA	NA
+PJ106177	SCNDDEMR 	C34H56N12O17S2	968.3328	NA	PeJP	NA	NA
+PJ106178	GSSCDEWW 	C42H52N10O15S	968.3335	NA	PeJP	NA	NA
+PJ106179	PCCNDMMR 	C35H60N12O12S4	968.3337	NA	PeJP	NA	NA
+PJ106180	CCNNNQHH 	C35H52N16O13S2	968.3342	NA	PeJP	NA	NA
+PJ106181	GSPCCMWW 	C43H56N10O10S3	968.3343	NA	PeJP	NA	NA
+PJ106182	GGPPCCCFW 	C43H56N10O10S3	968.3344	NA	PeJP	NA	NA
+PJ106183	GSSSSDDEW 	C38H52N10O20	968.336	NA	PeJP	NA	NA
+PJ106184	GSNDEMMW 	C39H56N10O15S2	968.3368	NA	PeJP	NA	NA
+PJ106185	GGGSDEMMW 	C39H56N10O15S2	968.3369	NA	PeJP	NA	NA
+PJ106186	GCDYYYW 	C47H52N8O13S	968.3375	NA	PeJP	NA	NA
+PJ106187	GPCNMMMW 	C40H60N10O10S4	968.3377	NA	PeJP	NA	NA
+PJ106188	GCCEHHHF 	C40H52N14O11S2	968.3382	NA	PeJP	NA	NA
+PJ106189	GSSSNEEEM 	C35H56N10O20S	968.3393	NA	PeJP	NA	NA
+PJ106190	GGGSSSEEEM 	C35H56N10O20S	968.3394	NA	PeJP	NA	NA
+PJ106191	DDEEEFW 	C43H52N8O18	968.34	NA	PeJP	NA	NA
+PJ106192	GNQEEMMM 	C36H60N10O15S3	968.3402	NA	PeJP	NA	NA
+PJ106193	CNNNNNNY 	C36H52N14O16S	968.3407	NA	PeJP	NA	NA
+PJ106194	GPTCCYYY 	C44H56N8O13S2	968.3409	NA	PeJP	NA	NA
+PJ106195	GTMMMMMH 	C37H64N10O10S5	968.3411	NA	PeJP	NA	NA
+PJ106196	GCCCNQRW 	C37H56N14O11S3	968.3416	NA	PeJP	NA	NA
+PJ106197	GPDEEEMY 	C40H56N8O18S	968.3434	NA	PeJP	NA	NA
+PJ106198	SCCDDDRR 	C33H56N14O16S2	968.3441	NA	PeJP	NA	NA
+PJ106199	GSSMMMYY 	C41H60N8O13S3	968.3442	NA	PeJP	NA	NA
+PJ106200	GCNNNDFW 	C41H52N12O14S	968.3447	NA	PeJP	NA	NA
+PJ106201	PCCCCERR 	C34H60N14O11S4	968.3449	NA	PeJP	NA	NA
+PJ106202	CCWWWW 	C50H52N10O7S2	968.3462	NA	PeJP	NA	NA
+PJ106203	ATEEEEMM 	C37H60N8O18S2	968.3467	NA	PeJP	NA	NA
+PJ106204	GNDDDDRY 	C37H52N12O19	968.3472	NA	PeJP	NA	NA
+PJ106205	APEEMMMM 	C38H64N8O13S4	968.3476	NA	PeJP	NA	NA
+PJ106206	GSCDDMRW 	C38H56N12O14S2	968.3481	NA	PeJP	NA	NA
+PJ106207	GDDDHHHH 	C38H48N16O15	968.3486	NA	PeJP	NA	NA
+PJ106208	SSCDWWW 	C46H52N10O12S	968.3487	NA	PeJP	NA	NA
+PJ106209	APCCCMRW 	C39H60N12O9S4	968.349	NA	PeJP	NA	NA
+PJ106210	GSSSDDDMR 	C34H56N12O19S	968.3506	NA	PeJP	NA	NA
+PJ106211	SSSSDDWW 	C42H52N10O17	968.3512	NA	PeJP	NA	NA
+PJ106212	VCCNDEMR 	C35H60N12O14S3	968.3514	NA	PeJP	NA	NA
+PJ106213	GNDDMMMR 	C35H60N12O14S3	968.3515	NA	PeJP	NA	NA
+PJ106214	GSSCNNNHH 	C35H52N16O15S	968.3519	NA	PeJP	NA	NA
+PJ106215	SNDMMWW 	C43H56N10O12S2	968.3521	NA	PeJP	NA	NA
+PJ106216	PCCCNHHR 	C36H56N16O10S3	968.3528	NA	PeJP	NA	NA
+PJ106217	CCHHHFW 	C44H52N14O8S2	968.3534	NA	PeJP	NA	NA
+PJ106218	SSSNEEMW 	C39H56N10O17S	968.3546	NA	PeJP	NA	NA
+PJ106219	NQEMMMW 	C40H60N10O12S3	968.3555	NA	PeJP	NA	NA
+PJ106220	GSCNEHHW 	C40H52N14O13S	968.3559	NA	PeJP	NA	NA
+PJ106221	GGGSCEHHW 	C40H52N14O13S	968.356	NA	PeJP	NA	NA
+PJ106222	GCMFYYW 	C48H56N8O10S2	968.3561	NA	PeJP	NA	NA
+PJ106223	SSSSSQEEE 	C35H56N10O22	968.3571	NA	PeJP	NA	NA
+PJ106224	SSQQEEMM 	C36H60N10O17S2	968.358	NA	PeJP	NA	NA
+PJ106225	GSSSNDEHH 	C36H52N14O18	968.3584	NA	PeJP	NA	NA
+PJ106226	GGGSSSDEHH 	C36H52N14O18	968.3585	NA	PeJP	NA	NA
+PJ106227	PDEEMYW 	C44H56N8O15S	968.3586	NA	PeJP	NA	NA
+PJ106228	STTMMMMH 	C37H64N10O12S4	968.3588	NA	PeJP	NA	NA
+PJ106229	GGGGPTMMMM 	C37H64N10O12S4	968.3589	NA	PeJP	NA	NA
+PJ106230	SSCCNNRW 	C37H56N14O13S2	968.3593	NA	PeJP	NA	NA
+PJ106231	CQMMFFY 	C45H60N8O10S3	968.3595	NA	PeJP	NA	NA
+PJ106232	AAEEEEEY 	C40H56N8O20	968.3611	NA	PeJP	NA	NA
+PJ106233	SSSSCNNDR 	C33H56N14O18S	968.3618	NA	PeJP	NA	NA
+PJ106234	SSSTMMYY 	C41H60N8O15S2	968.362	NA	PeJP	NA	NA
+PJ106235	GSNNNDYW 	C41H52N12O16	968.3625	NA	PeJP	NA	NA
+PJ106236	GCCDEMRR 	C34H60N14O13S3	968.3627	NA	PeJP	NA	NA
+PJ106237	CKMMMYY 	C42H64N8O10S4	968.3628	NA	PeJP	NA	NA
+PJ106238	PPPCMMMY 	C42H64N8O10S4	968.3629	NA	PeJP	NA	NA
+PJ106239	SCCERWW 	C42H56N12O11S2	968.3633	NA	PeJP	NA	NA
+PJ106240	GGGGGCMHFF 	C42H56N12O11S2	968.3634	NA	PeJP	NA	NA
+PJ106241	TTTEEEEM 	C37H60N8O20S	968.3645	NA	PeJP	NA	NA
+PJ106242	GLEEEMMM 	C38H64N8O15S3	968.3654	NA	PeJP	NA	NA
+PJ106243	SSSCDERW 	C38H56N12O16S	968.3658	NA	PeJP	NA	NA
+PJ106244	GGGGGGGQEMY 	C38H56N12O16S	968.3659	NA	PeJP	NA	NA
+PJ106245	PPTMMMMM 	C39H68N8O10S5	968.3662	NA	PeJP	NA	NA
+PJ106246	GNDEYWW 	C46H52N10O14	968.3665	NA	PeJP	NA	NA
+PJ106247	CNEMMRW 	C39H60N12O11S3	968.3667	NA	PeJP	NA	NA
+PJ106248	SPCDHHHH 	C39H52N16O12S	968.3672	NA	PeJP	NA	NA
+PJ106249	ASCMWWW 	C47H56N10O9S2	968.3673	NA	PeJP	NA	NA
+PJ106250	GTCMWWW 	C47H56N10O9S2	968.3674	NA	PeJP	NA	NA
+PJ106251	SSSSSDDER 	C34H56N12O21	968.3683	NA	PeJP	NA	NA
+PJ106252	SSNDEMMR 	C35H60N12O16S2	968.3692	NA	PeJP	NA	NA
+PJ106253	NNNNNNEH 	C35H52N16O17	968.3697	NA	PeJP	NA	NA
+PJ106254	SCDRYYY 	C43H56N10O14S	968.3698	NA	PeJP	NA	NA
+PJ106255	GSSSEMWW 	C43H56N10O14S	968.3699	NA	PeJP	NA	NA
+PJ106256	SPCNMMMR 	C36H64N12O11S4	968.3701	NA	PeJP	NA	NA
+PJ106257	CCNNNKHH 	C36H56N16O12S2	968.3705	NA	PeJP	NA	NA
+PJ106258	GCNDMHHR 	C36H56N16O12S2	968.3706	NA	PeJP	NA	NA
+PJ106259	GQMMMWW 	C44H60N10O9S3	968.3707	NA	PeJP	NA	NA
+PJ106260	SCNHHWW 	C44H52N14O10S	968.3712	NA	PeJP	NA	NA
+PJ106261	ASSSSSEEW 	C39H56N10O19	968.3723	NA	PeJP	NA	NA
+PJ106262	GSSSSTEEW 	C39H56N10O19	968.3724	NA	PeJP	NA	NA
+PJ106263	GSTQEMMW 	C40H60N10O14S2	968.3732	NA	PeJP	NA	NA
+PJ106264	SSSNDHHW 	C40H52N14O15	968.3737	NA	PeJP	NA	NA
+PJ106265	GSMYYYW 	C48H56N8O12S	968.3739	NA	PeJP	NA	NA
+PJ106266	APCCKMMW 	C41H64N10O9S4	968.3741	NA	PeJP	NA	NA
+PJ106267	NNMMHHW 	C41H56N14O10S2	968.3746	NA	PeJP	NA	NA
+PJ106268	GSSSDKEEM 	C36H60N10O19S	968.3757	NA	PeJP	NA	NA
+PJ106269	VDEEEYW 	C44H56N8O17	968.3764	NA	PeJP	NA	NA
+PJ106270	GNKEEMMM 	C37H64N10O14S3	968.3766	NA	PeJP	NA	NA
+PJ106271	GCNNNERY 	C37H56N14O15S	968.3771	NA	PeJP	NA	NA
+PJ106272	PEEMMFW 	C45H60N8O12S2	968.3772	NA	PeJP	NA	NA
+PJ106273	PPPCDMFY 	C45H60N8O12S2	968.3773	NA	PeJP	NA	NA
+PJ106274	PNDDHWW 	C45H52N12O13	968.3777	NA	PeJP	NA	NA
+PJ106275	CCDMRRW 	C38H60N14O10S3	968.3779	NA	PeJP	NA	NA
+PJ106276	GGGCCCKRW 	C38H60N14O10S3	968.378	NA	PeJP	NA	NA
+PJ106277	GCNQHHHH 	C38H52N18O11S	968.3784	NA	PeJP	NA	NA
+PJ106278	APTEEEMY 	C41H60N8O17S	968.3798	NA	PeJP	NA	NA
+PJ106279	SSCDDMRR 	C34H60N14O15S2	968.3804	NA	PeJP	NA	NA
+PJ106280	GGGGGSSTCMR 	C34H60N14O15S2	968.3805	NA	PeJP	NA	NA
+PJ106281	LEEMMMW 	C42H64N8O12S3	968.3806	NA	PeJP	NA	NA
+PJ106282	NNNQMYW 	C42H56N12O13S	968.3811	NA	PeJP	NA	NA
+PJ106283	PTCCCMRR 	C35H64N14O10S4	968.3813	NA	PeJP	NA	NA
+PJ106284	NDYWWW 	C50H52N10O11	968.3817	NA	PeJP	NA	NA
+PJ106285	GCMMRWW 	C43H60N12O8S3	968.382	NA	PeJP	NA	NA
+PJ106286	STLEEEMM 	C38H64N8O17S2	968.3831	NA	PeJP	NA	NA
+PJ106287	SSSSSSNQW 	C38H56N12O18	968.3836	NA	PeJP	NA	NA
+PJ106288	SPLEMMMM 	C39H68N8O12S4	968.384	NA	PeJP	NA	NA
+PJ106289	GSSDMMRW 	C39H60N12O13S2	968.3845	NA	PeJP	NA	NA
+PJ106290	GNNNNNHW 	C39H52N16O14	968.3849	NA	PeJP	NA	NA
+PJ106291	GGGGGGGNNHW 	C39H52N16O14	968.385	NA	PeJP	NA	NA
+PJ106292	SSSMWWW 	C47H56N10O11S	968.3851	NA	PeJP	NA	NA
+PJ106293	CCQHHRW 	C40H56N16O9S2	968.3858	NA	PeJP	NA	NA
+PJ106294	SSSSSQQQM 	C35H60N12O18S	968.3869	NA	PeJP	NA	NA
+PJ106295	GSSSSEEMR 	C35H60N12O18S	968.387	NA	PeJP	NA	NA
+PJ106296	SSSSTEWW 	C43H56N10O16	968.3876	NA	PeJP	NA	NA
+PJ106297	GSQEMMMR 	C36H64N12O13S3	968.3878	NA	PeJP	NA	NA
+PJ106298	GGGGGGSKMMM 	C36H64N12O13S3	968.3879	NA	PeJP	NA	NA
+PJ106299	SSCNEHHR 	C36H56N16O14S	968.3883	NA	PeJP	NA	NA
+PJ106300	STQMMWW 	C44H60N10O11S2	968.3885	NA	PeJP	NA	NA
+PJ106301	NNDHHFW 	C44H52N14O12	968.389	NA	PeJP	NA	NA
+PJ106302	GCFFFYW 	C52H56N8O9S	968.3891	NA	PeJP	NA	NA
+PJ106303	SSSDKEMW 	C40H60N10O16S	968.391	NA	PeJP	NA	NA
+PJ106304	SSTYYYW 	C48H56N8O14	968.3916	NA	PeJP	NA	NA
+PJ106305	GSSSCCNRR 	C33H60N16O14S2	968.3917	NA	PeJP	NA	NA
+PJ106306	NKEMMMW 	C41H64N10O11S3	968.3919	NA	PeJP	NA	NA
+PJ106307	CNNNRYW 	C41H56N14O12S	968.3923	NA	PeJP	NA	NA
+PJ106308	GGGGGGGPMHW 	C41H56N14O12S	968.3924	NA	PeJP	NA	NA
+PJ106309	CQMFFFF 	C49H60N8O9S2	968.3925	NA	PeJP	NA	NA
+PJ106310	SSSSSKEEE 	C36H60N10O21	968.3935	NA	PeJP	NA	NA
+PJ106311	TTTQQEMM 	C37H64N10O16S2	968.3943	NA	PeJP	NA	NA
+PJ106312	SSQKEEMM 	C37H64N10O16S2	968.3944	NA	PeJP	NA	NA
+PJ106313	SSNNNDRY 	C37H56N14O17	968.3948	NA	PeJP	NA	NA
+PJ106314	GGGGGGVNEEH 	C37H56N14O17	968.3949	NA	PeJP	NA	NA
+PJ106315	VEEEMFW 	C45H60N8O14S	968.395	NA	PeJP	NA	NA
+PJ106316	SPNKMMMM 	C38H68N10O11S4	968.3952	NA	PeJP	NA	NA
+PJ106317	GPCCDRRY 	C38H60N14O12S2	968.3957	NA	PeJP	NA	NA
+PJ106318	CKMMFFY 	C46H64N8O9S3	968.3959	NA	PeJP	NA	NA
+PJ106319	SSNNHHHH 	C38H52N18O13	968.3962	NA	PeJP	NA	NA
+PJ106320	GCDFRWW 	C46H56N12O10S	968.3964	NA	PeJP	NA	NA
+PJ106321	GTLEEEEY 	C41H60N8O19	968.3975	NA	PeJP	NA	NA
+PJ106322	SSSSSNNMR 	C34H60N14O17S	968.3982	NA	PeJP	NA	NA
+PJ106323	GPLEEMMY 	C42H64N8O14S2	968.3984	NA	PeJP	NA	NA
+PJ106324	SNDERYW 	C42H56N12O15	968.3988	NA	PeJP	NA	NA
+PJ106325	GGSDERYW 	C42H56N12O15	968.3989	NA	PeJP	NA	NA
+PJ106326	GSCEMMRR 	C35H64N14O12S3	968.3991	NA	PeJP	NA	NA
+PJ106327	PPCLMMMF 	C43H68N8O9S4	968.3993	NA	PeJP	NA	NA
+PJ106328	STCMRWW 	C43H60N12O10S2	968.3997	NA	PeJP	NA	NA
+PJ106329	SEHHHHW 	C43H52N16O11	968.4002	NA	PeJP	NA	NA
+PJ106330	NMFWWW 	C51H56N10O8S	968.4004	NA	PeJP	NA	NA
+PJ106331	SVLEEMMM 	C39H68N8O14S3	968.4017	NA	PeJP	NA	NA
+PJ106332	VVTEEMMM 	C39H68N8O14S3	968.4018	NA	PeJP	NA	NA
+PJ106333	SSSSEMRW 	C39H60N12O15S	968.4022	NA	PeJP	NA	NA
+PJ106334	GGGGGGGPPPEM 	C39H60N12O15S	968.4023	NA	PeJP	NA	NA
+PJ106335	PVVMMMMM 	C40H72N8O9S5	968.4026	NA	PeJP	NA	NA
+PJ106336	GTQEYWW 	C47H56N10O13	968.4029	NA	PeJP	NA	NA
+PJ106337	SQMMMRW 	C40H64N12O10S3	968.4031	NA	PeJP	NA	NA
+PJ106338	GSSCHHRW 	C40H56N16O11S	968.4036	NA	PeJP	NA	NA
+PJ106339	PCCKFWW 	C48H60N10O8S2	968.4037	NA	PeJP	NA	NA
+MJ098882	Castanopsinin Aa 	C50H64O19	968.404179	NA	MeJP	NA	NA
+MJ098883	Castanopsinin Ab 	C50H64O19	968.404179	NA	MeJP	NA	NA
+MJ098884	Castanopsinin CA 	C50H64O19	968.404179	NA	MeJP	NA	NA
+MJ098885	Castanopsinin Cb 	C50H64O19	968.404179	NA	MeJP	NA	NA
+PJ106340	SSSSSTEER 	C35H60N12O20	968.4047	NA	PeJP	NA	NA
+PJ106341	SSTQEMMR 	C36H64N12O15S2	968.4056	NA	PeJP	NA	NA
+PJ106342	SNNNQQQH 	C36H56N16O16	968.406	NA	PeJP	NA	NA
+PJ106343	GSSSSDHHR 	C36H56N16O16	968.4061	NA	PeJP	NA	NA
+PJ106344	GSTTTMWW 	C44H60N10O13S	968.4062	NA	PeJP	NA	NA
+PJ106345	GGGGLEMYW 	C44H60N10O13S	968.4063	NA	PeJP	NA	NA
+PJ106346	AAQMMMMR 	C37H68N12O10S4	968.4065	NA	PeJP	NA	NA
+PJ106347	QFYYYW 	C52H56N8O11	968.4069	NA	PeJP	NA	NA
+PJ106348	GGGGGCCFRR 	C37H60N16O11S2	968.407	NA	PeJP	NA	NA
+PJ106349	GKMMMWW 	C45H64N10O8S3	968.4071	NA	PeJP	NA	NA
+PJ106350	NMHHHFF 	C45H56N14O9S	968.4076	NA	PeJP	NA	NA
+PJ106351	SSSSSSLEW 	C40H60N10O18	968.4087	NA	PeJP	NA	NA
+PJ106352	GGGTKEEEY 	C40H60N10O18	968.4088	NA	PeJP	NA	NA
+PJ106353	GSTKEMMW 	C41H64N10O13S2	968.4096	NA	PeJP	NA	NA
+PJ106354	GSPDDHRW 	C41H56N14O14	968.4101	NA	PeJP	NA	NA
+PJ106355	AQMFFYY 	C49H60N8O11S	968.4102	NA	PeJP	NA	NA
+PJ106356	PPEMFYW 	C49H60N8O11S	968.4103	NA	PeJP	NA	NA
+PJ106357	APPCCHRW 	C42H60N14O9S2	968.411	NA	PeJP	NA	NA
+PJ106358	GSSTTKEEM 	C37H64N10O18S	968.4121	NA	PeJP	NA	NA
+PJ106359	SSSSLYYY 	C45H60N8O16	968.4127	NA	PeJP	NA	NA
+PJ106360	TLEEEYW 	C45H60N8O16	968.4128	NA	PeJP	NA	NA
+PJ106361	GDKKEMMM 	C38H68N10O13S3	968.413	NA	PeJP	NA	NA
+PJ106362	GSNNQMRY 	C38H60N14O14S	968.4134	NA	PeJP	NA	NA
+PJ106363	NDDMRRY 	C38H60N14O14S	968.4135	NA	PeJP	NA	NA
+PJ106364	PLEMMYW 	C46H64N8O11S2	968.4136	NA	PeJP	NA	NA
+PJ106365	GSDRYWW 	C46H56N12O12	968.4141	NA	PeJP	NA	NA
+PJ106366	SCMMRRW 	C39H64N14O9S3	968.4143	NA	PeJP	NA	NA
+PJ106367	DMHHHHR 	C39H56N18O10S	968.4148	NA	PeJP	NA	NA
+PJ106368	GSSSSSSSQR 	C34H60N14O19	968.4159	NA	PeJP	NA	NA
+PJ106369	GGGSSSSSSTR 	C34H60N14O19	968.416	NA	PeJP	NA	NA
+PJ106370	GVLEEEMY 	C42H64N8O16S	968.4161	NA	PeJP	NA	NA
+PJ106371	SSSDMMRR 	C35H64N14O14S2	968.4168	NA	PeJP	NA	NA
+PJ106372	SPPLMMMY 	C43H68N8O11S3	968.417	NA	PeJP	NA	NA
+PJ106373	SNNNNNHR 	C35H56N18O15	968.4173	NA	PeJP	NA	NA
+PJ106374	GQEMRYW 	C43H60N12O12S	968.4175	NA	PeJP	NA	NA
+PJ106375	NMMMMRR 	C36H68N14O9S4	968.4177	NA	PeJP	NA	NA
+PJ106376	TQYWWW 	C51H56N10O10	968.4181	NA	PeJP	NA	NA
+PJ106377	GTCCHHRR 	C36H60N18O10S2	968.4182	NA	PeJP	NA	NA
+PJ106378	CLHHHHW 	C44H56N16O8S	968.4188	NA	PeJP	NA	NA
+MJ098886	Mahagonin 	C54H64O16	968.419436	NA	MeJP	NA	NA
+PJ106379	SSSSSSNKW 	C39H60N12O17	968.42	NA	PeJP	NA	NA
+PJ106380	ALLEMMMM 	C40H72N8O11S4	968.4204	NA	PeJP	NA	NA
+PJ106381	GSTTMMRW 	C40H64N12O12S2	968.4208	NA	PeJP	NA	NA
+PJ106382	GGSTCCKKW 	C40H64N12O12S2	968.4209	NA	PeJP	NA	NA
+PJ106383	NNNEHRW 	C40H56N16O13	968.4213	NA	PeJP	NA	NA
+PJ106384	GVQMYWW 	C48H60N10O10S	968.4215	NA	PeJP	NA	NA
+PJ106385	CCKHHRW 	C41H60N16O8S2	968.4222	NA	PeJP	NA	NA
+PJ106386	QHHHHHH 	C41H52N20O9	968.4227	NA	PeJP	NA	NA
+PJ106387	GSSTTTEMR 	C36H64N12O17S	968.4233	NA	PeJP	NA	NA
+PJ106388	GGGGSSSTTKM 	C36H64N12O17S	968.4234	NA	PeJP	NA	NA
+PJ106389	SSTTTTWW 	C44H60N10O15	968.424	NA	PeJP	NA	NA
+PJ106390	GSKEMMMR 	C37H68N12O12S3	968.4242	NA	PeJP	NA	NA
+PJ106391	GSCNNRRY 	C37H60N16O13S	968.4247	NA	PeJP	NA	NA
+MJ098887	Kororamide 	C45H64N10O10S2	968.424829	NA	MeJP	NA	NA
+PJ106392	STKMMWW 	C45H64N10O10S2	968.4249	NA	PeJP	NA	NA
+PJ106393	GQQQHWW 	C45H56N14O11	968.4253	NA	PeJP	NA	NA
+PJ106394	GGGAAQHWW 	C45H56N14O11	968.4254	NA	PeJP	NA	NA
+PJ106395	SSTTKEMW 	C41H64N10O15S	968.4274	NA	PeJP	NA	NA
+PJ106396	PVEEFYW 	C49H60N8O13	968.428	NA	PeJP	NA	NA
+PJ106397	DKKMMMW 	C42H68N10O10S3	968.4282	NA	PeJP	NA	NA
+PJ106398	GGAPKMMMF 	C42H68N10O10S3	968.4283	NA	PeJP	NA	NA
+PJ106399	GCERRYW 	C42H60N14O11S	968.4287	NA	PeJP	NA	NA
+PJ106400	CKMFFFF 	C50H64N8O8S2	968.4289	NA	PeJP	NA	NA
+PJ106401	GPTHWWW 	C50H56N12O9	968.4294	NA	PeJP	NA	NA
+PJ106402	STTTTTTQE 	C37H64N10O20	968.4298	NA	PeJP	NA	NA
+PJ106403	SSSTTTKEE 	C37H64N10O20	968.4299	NA	PeJP	NA	NA
+PJ106404	SSKKEEMM 	C38H68N10O15S2	968.4307	NA	PeJP	NA	NA
+PJ106405	GSSDERRY 	C38H60N14O16	968.4312	NA	PeJP	NA	NA
+PJ106406	GGGGGGGGGPPDK 	C38H60N14O16	968.4313	NA	PeJP	NA	NA
+PJ106407	VLEEMYW 	C46H64N8O13S	968.4314	NA	PeJP	NA	NA
+PJ106408	GLQKMMMM 	C39H72N10O10S4	968.4316	NA	PeJP	NA	NA
+PJ106409	GSPCMRRY 	C39H64N14O11S2	968.4321	NA	PeJP	NA	NA
+PJ106410	GPNDHHHR 	C39H56N18O12	968.4326	NA	PeJP	NA	NA
+PJ106411	QMRYWW 	C47H60N12O9S	968.4327	NA	PeJP	NA	NA
+PJ106412	HFFFWW 	C55H56N10O7	968.4334	NA	PeJP	NA	NA
+PJ106413	SSLLEEEY 	C42H64N8O18	968.4339	NA	PeJP	NA	NA
+PJ106414	SSSSSCQKR 	C35H64N14O16S	968.4346	NA	PeJP	NA	NA
+PJ106415	SPVLEMMY 	C43H68N8O13S2	968.4348	NA	PeJP	NA	NA
+PJ106416	STQERYW 	C43H60N12O14	968.4352	NA	PeJP	NA	NA
+PJ106417	GGAALEEHW 	C43H60N12O14	968.4353	NA	PeJP	NA	NA
+PJ106418	GSTMMMRR 	C36H68N14O11S3	968.4355	NA	PeJP	NA	NA
+PJ106419	SSSCHHRR 	C36H60N18O12S	968.4359	NA	PeJP	NA	NA
+PJ106420	AQMMFRW 	C44H64N12O9S2	968.4361	NA	PeJP	NA	NA
+PJ106421	GNNHRWW 	C44H56N16O10	968.4366	NA	PeJP	NA	NA
+PJ106422	TTLLEMMM 	C40H72N8O13S3	968.4381	NA	PeJP	NA	NA
+PJ106423	SSTTTMRW 	C40H64N12O14S	968.4386	NA	PeJP	NA	NA
+PJ106424	GTKEYWW 	C48H60N10O12	968.4392	NA	PeJP	NA	NA
+PJ106425	GGSTLYWW 	C48H60N10O12	968.4393	NA	PeJP	NA	NA
+PJ106426	SKMMMRW 	C41H68N12O9S3	968.4395	NA	PeJP	NA	NA
+PJ106427	NQMHHFR 	C41H60N16O10S	968.4399	NA	PeJP	NA	NA
+PJ106428	PCDHRRW 	C41H60N16O10S	968.44	NA	PeJP	NA	NA
+PJ106429	SSSTTTTER 	C36H64N12O19	968.4411	NA	PeJP	NA	NA
+PJ106430	SSTKEMMR 	C37H68N12O14S2	968.442	NA	PeJP	NA	NA
+PJ106431	NEEEHRR 	C37H60N16O15	968.4424	NA	PeJP	NA	NA
+PJ106432	GGEEEHRR 	C37H60N16O15	968.4425	NA	PeJP	NA	NA
+PJ106433	VNKEMYW 	C45H64N10O12S	968.4426	NA	PeJP	NA	NA
+HMDB10033	PIP2(16:0/16:1(9Z))	C41H79O19P3	968.44281	NA	HMDB2010	NA	NA
+HMDB10051	PIP2(16:1(9Z)/16:0)	C41H79O19P3	968.44281	NA	HMDB2010	NA	NA
+PJ106434	AAKMMMMR 	C38H72N12O9S4	968.4429	NA	PeJP	NA	NA
+PJ106435	KFYYYW 	C53H60N8O10	968.4433	NA	PeJP	NA	NA
+PJ106436	CRRYWW 	C46H60N14O8S	968.444	NA	PeJP	NA	NA
+PJ106437	SSSSTTTLW 	C41H64N10O17	968.4451	NA	PeJP	NA	NA
+PJ106438	GGAAPPLEEE 	C41H64N10O17	968.4452	NA	PeJP	NA	NA
+PJ106439	SSSLKMMW 	C42H68N10O12S2	968.446	NA	PeJP	NA	NA
+PJ106440	SSDRRYW 	C42H60N14O13	968.4465	NA	PeJP	NA	NA
+PJ106441	PPLMYYW 	C50H64N8O10S	968.4466	NA	PeJP	NA	NA
+PJ106442	PLEMFFW 	C50H64N8O10S	968.4467	NA	PeJP	NA	NA
+PJ106443	ACMFRRW 	C43H64N14O8S2	968.4473	NA	PeJP	NA	NA
+PJ106444	APPHHHHH 	C43H56N18O9	968.4478	NA	PeJP	NA	NA
+PJ106445	SSSSTLKEM 	C38H68N10O17S	968.4485	NA	PeJP	NA	NA
+PJ106446	SPPTLEYY 	C46H64N8O15	968.4491	NA	PeJP	NA	NA
+PJ106447	GPVLEEYY 	C46H64N8O15	968.4492	NA	PeJP	NA	NA
+PJ106448	ATKKEMMM 	C39H72N10O12S3	968.4494	NA	PeJP	NA	NA
+PJ106449	SQEMRRY 	C39H64N14O13S	968.4498	NA	PeJP	NA	NA
+PJ106450	GGGGGSKMRY 	C39H64N14O13S	968.4499	NA	PeJP	NA	NA
+PJ106451	LLEMMFW 	C47H68N8O10S2	968.45	NA	PeJP	NA	NA
+PJ106452	GTTRYWW 	C47H60N12O11	968.4505	NA	PeJP	NA	NA
+PJ106453	CNHHFRR 	C40H60N18O9S	968.4512	NA	PeJP	NA	NA
+PJ106454	GSSSSSSSKR 	C35H64N14O18	968.4523	NA	PeJP	NA	NA
+PJ106455	ATLLEEMY 	C43H68N8O15S	968.4525	NA	PeJP	NA	NA
+PJ106456	SSTTMMRR 	C36H68N14O13S2	968.4532	NA	PeJP	NA	NA
+PJ106457	APLLMMMY 	C44H72N8O10S3	968.4534	NA	PeJP	NA	NA
+PJ106458	DDDHRRR 	C36H60N18O14	968.4537	NA	PeJP	NA	NA
+PJ106459	SVQMRYW 	C44H64N12O11S	968.4538	NA	PeJP	NA	NA
+PJ106460	GKEMRYW 	C44H64N12O11S	968.4539	NA	PeJP	NA	NA
+PJ106461	TKYWWW 	C52H60N10O9	968.4545	NA	PeJP	NA	NA
+PJ106462	SSTQQQKY 	C40H64N12O16	968.4563	NA	PeJP	NA	NA
+PJ106463	GSTKEERY 	C40H64N12O16	968.4564	NA	PeJP	NA	NA
+PJ106464	SLLLMMMM 	C41H76N8O10S4	968.4568	NA	PeJP	NA	NA
+PJ106465	SSCCKKKW 	C41H68N12O11S2	968.4572	NA	PeJP	NA	NA
+PJ106466	GGGGGKKMMF 	C41H68N12O11S2	968.4573	NA	PeJP	NA	NA
+PJ106467	GEEHRRW 	C41H60N16O12	968.4577	NA	PeJP	NA	NA
+PJ106468	GVKMYWW 	C49H64N10O9S	968.4579	NA	PeJP	NA	NA
+PJ106469	KHHHHHH 	C42H56N20O8	968.4591	NA	PeJP	NA	NA
+PJ106470	SSSSTTLMR 	C37H68N12O16S	968.4597	NA	PeJP	NA	NA
+PJ106471	SKKEEYW 	C45H64N10O14	968.4604	NA	PeJP	NA	NA
+PJ106472	ATTKMMMR 	C38H72N12O11S3	968.4606	NA	PeJP	NA	NA
+PJ106473	SCERRRY 	C38H64N16O12S	968.4611	NA	PeJP	NA	NA
+PJ106474	VQKMMFW 	C46H68N10O9S2	968.4612	NA	PeJP	NA	NA
+PJ106475	LNKMMFW 	C46H68N10O9S2	968.4613	NA	PeJP	NA	NA
+MJ098888	3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H72O20	968.461694	NA	MeJP	NA	NA
+MJ098889	3,21-Dihydroxy-9(11),12-oleanadien-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronoside] 	C48H72O20	968.461694	NA	MeJP	NA	NA
+MJ098890	Betavulgaroside II; 2''-Me ether, 28-O-?-D-glucopyranosyl ester 	C48H72O20	968.461694	NA	MeJP	NA	NA
+PJ106476	GVEHRWW 	C46H60N14O10	968.4617	NA	PeJP	NA	NA
+PJ106477	TTTTTKMW 	C42H68N10O14S	968.4637	NA	PeJP	NA	NA
+PJ106478	AAKKEEMY 	C42H68N10O14S	968.4638	NA	PeJP	NA	NA
+PJ106479	PVLEYYW 	C50H64N8O12	968.4644	NA	PeJP	NA	NA
+PJ106480	GPKKMMMF 	C43H72N10O9S3	968.4646	NA	PeJP	NA	NA
+PJ106481	GTMRRYW 	C43H64N14O10S	968.4651	NA	PeJP	NA	NA
+PJ106482	QFFRWW 	C51H60N12O8	968.4657	NA	PeJP	NA	NA
+PJ106483	AALHWWW 	C51H60N12O8	968.4658	NA	PeJP	NA	NA
+PJ106484	STTTTTTKE 	C38H68N10O19	968.4662	NA	PeJP	NA	NA
+PJ106485	TTTKKEMM 	C39H72N10O14S2	968.4671	NA	PeJP	NA	NA
+PJ106486	GSTTERRY 	C39H64N14O15	968.4676	NA	PeJP	NA	NA
+PJ106487	SPPVLMYY 	C47H68N8O12S	968.4678	NA	PeJP	NA	NA
+PJ106488	GLKKMMMM 	C40H76N10O9S4	968.468	NA	PeJP	NA	NA
+PJ106489	VNMMRRY 	C40H68N14O10S2	968.4685	NA	PeJP	NA	NA
+PJ106490	SNNHRRW 	C40H60N18O11	968.4689	NA	PeJP	NA	NA
+PJ106491	GGGGSHRRW 	C40H60N18O11	968.469	NA	PeJP	NA	NA
+PJ106492	KMRYWW 	C48H64N12O8S	968.4691	NA	PeJP	NA	NA
+PJ106493	TTTLLEEY 	C43H68N8O17	968.4703	NA	PeJP	NA	NA
+PJ106494	SSSSSCKKR 	C36H68N14O15S	968.471	NA	PeJP	NA	NA
+PJ106495	PTTLLMMY 	C44H72N8O12S2	968.4711	NA	PeJP	NA	NA
+PJ106496	GLLLEMMY 	C44H72N8O12S2	968.4712	NA	PeJP	NA	NA
+PJ106497	STKERYW 	C44H64N12O13	968.4716	NA	PeJP	NA	NA
+PJ106498	GGGGGGGPPPLF 	C44H64N12O13	968.4717	NA	PeJP	NA	NA
+PJ106499	TCCCKKKR 	C37H72N14O10S3	968.4718	NA	PeJP	NA	NA
+PJ106500	NQQMHRR 	C37H64N18O11S	968.4723	NA	PeJP	NA	NA
+PJ106501	AKMMFRW 	C45H68N12O8S2	968.4725	NA	PeJP	NA	NA
+PJ106502	EHRRWW 	C45H60N16O9	968.473	NA	PeJP	NA	NA
+PJ106503	DKKEMRY 	C41H68N12O13S	968.475	NA	PeJP	NA	NA
+PJ106504	SSLKYWW 	C49H64N10O11	968.4756	NA	PeJP	NA	NA
+PJ106505	AAPPLEWW 	C49H64N10O11	968.4757	NA	PeJP	NA	NA
+PJ106506	SPMHRRW 	C42H64N16O9S	968.4763	NA	PeJP	NA	NA
+PJ106507	VHRWWW 	C50H60N14O7	968.477	NA	PeJP	NA	NA
+PJ106508	STTTTTTTR 	C37H68N12O18	968.4775	NA	PeJP	NA	NA
+PJ106509	TTTTKMMR 	C38H72N12O13S2	968.4784	NA	PeJP	NA	NA
+PJ106510	DKEEHRR 	C38H64N16O14	968.4788	NA	PeJP	NA	NA
+PJ106511	GGGGSPPERR 	C38H64N16O14	968.4789	NA	PeJP	NA	NA
+PJ106512	VDKKMYW 	C46H68N10O11S	968.479	NA	PeJP	NA	NA
+PJ106513	PPLFFYW 	C54H64N8O9	968.4797	NA	PeJP	NA	NA
+PJ106514	ATTKKEEY 	C42H68N10O16	968.4815	NA	PeJP	NA	NA
+PJ106515	APTKKMMY 	C43H72N10O11S2	968.4824	NA	PeJP	NA	NA
+PJ106516	STTRRYW 	C43H64N14O12	968.4828	NA	PeJP	NA	NA
+PJ106517	PPEERRW 	C43H64N14O12	968.4829	NA	PeJP	NA	NA
+PJ106518	PLLMFYW 	C51H68N8O9S	968.483	NA	PeJP	NA	NA
+PJ106519	CNQHRRR 	C36H64N20O10S	968.4835	NA	PeJP	NA	NA
+PJ106520	GGCQHRRR 	C36H64N20O10S	968.4836	NA	PeJP	NA	NA
+PJ106521	VHHHHFR 	C44H60N18O8	968.4842	NA	PeJP	NA	NA
+PJ106522	SSTTTTLKM 	C39H72N10O16S	968.4849	NA	PeJP	NA	NA
+PJ106523	APTLLEYY 	C47H68N8O14	968.4855	NA	PeJP	NA	NA
+PJ106524	STLKKMMM 	C40H76N10O11S3	968.4858	NA	PeJP	NA	NA
+PJ106525	SKEMRRY 	C40H68N14O12S	968.4862	NA	PeJP	NA	NA
+PJ106526	GGGGGAPPLMR 	C40H68N14O12S	968.4863	NA	PeJP	NA	NA
+PJ106527	LLLMMYW 	C48H72N8O9S2	968.4864	NA	PeJP	NA	NA
+PJ106528	PPVERWW 	C48H64N12O10	968.4869	NA	PeJP	NA	NA
+PJ106529	STLLLEMY 	C44H72N8O14S	968.4889	NA	PeJP	NA	NA
+PJ106530	ALLLMMMF 	C45H76N8O9S3	968.4898	NA	PeJP	NA	NA
+PJ106531	SEEHRRR 	C37H64N18O13	968.4901	NA	PeJP	NA	NA
+PJ106532	SVKMRYW 	C45H68N12O10S	968.4902	NA	PeJP	NA	NA
+PJ106533	GGCKKKYW 	C45H68N12O10S	968.4903	NA	PeJP	NA	NA
+PJ106534	PPVVWWW 	C53H64N10O8	968.4909	NA	PeJP	NA	NA
+PJ106535	SSSLKERY 	C41H68N12O15	968.4927	NA	PeJP	NA	NA
+PJ106536	GGSSDKKKY 	C41H68N12O15	968.4928	NA	PeJP	NA	NA
+PJ106537	LQKMMRY 	C42H72N12O10S2	968.4936	NA	PeJP	NA	NA
+PJ106538	SVEHRRW 	C42H64N16O11	968.4941	NA	PeJP	NA	NA
+PJ106539	LKMHFFF 	C50H68N10O8S	968.4943	NA	PeJP	NA	NA
+PJ106540	SSSSSKKKM 	C38H72N12O15S	968.4961	NA	PeJP	NA	NA
+PJ106541	GTTTLKYW 	C46H68N10O13	968.4968	NA	PeJP	NA	NA
+PJ106542	TCCKKKKM 	C39H76N12O10S3	968.497	NA	PeJP	NA	NA
+PJ106543	STMRRRY 	C39H68N16O11S	968.4975	NA	PeJP	NA	NA
+PJ106544	VKKMMFW 	C47H72N10O8S2	968.4976	NA	PeJP	NA	NA
+MJ098891	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 11-Me ether, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C49H76O19	968.49808	NA	MeJP	NA	NA
+MJ098892	12-Oleanene-3,16,21,22,23,28-hexol, 21-Tigloyl, 3-O-[?-D-glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-Ac 	C49H76O19	968.49808	NA	MeJP	NA	NA
+MJ098893	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C49H76O19	968.49808	NA	MeJP	NA	NA
+MJ098894	3,14-Dihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-3-O-acetyl-?-D-digitoxopyranoside] 	C49H76O19	968.49808	NA	MeJP	NA	NA
+PJ106545	ATLHRWW 	C47H64N14O9	968.4981	NA	PeJP	NA	NA
+PJ106546	GTLKKEMY 	C43H72N10O13S	968.5001	NA	PeJP	NA	NA
+PJ106547	VVLLEEMH 	C43H72N10O13S	968.5002	NA	PeJP	NA	NA
+PJ106548	VLLEFYW 	C51H68N8O11	968.5008	NA	PeJP	NA	NA
+PJ106549	GSSNHRRR 	C36H64N20O12	968.5013	NA	PeJP	NA	NA
+PJ106550	VLQMHRW 	C44H68N14O9S	968.5015	NA	PeJP	NA	NA
+PJ106551	KFFRWW 	C52H64N12O7	968.5021	NA	PeJP	NA	NA
+7494	ACE inhibitor (from bovine b-CN)	LNVPGEIVE	968.5039	antioxidative	Inhouse_peptide	NA	peptide
+PJ106552	SSSTLRRY 	C40H68N14O14	968.504	NA	PeJP	NA	NA
+PJ106553	GPLLLMYY 	C48H72N8O11S	968.5042	NA	PeJP	NA	NA
+MJ098895	Vintriptol 	C56H68N6O9	968.504777	NA	MeJP	NA	NA
+PJ106554	CLKMRRY 	C41H72N14O9S2	968.5049	NA	PeJP	NA	NA
+PJ106555	GPTKHHHR 	C41H64N18O10	968.5053	NA	PeJP	NA	NA
+PJ106556	SVLLLMMY 	C45H76N8O11S2	968.5075	NA	PeJP	NA	NA
+MJ098896	Allatostatin A4 	C45H68N12O12	968.507965	NA	MeJP	NA	NA
+PJ106557	APPTLERW 	C45H68N12O12	968.508	NA	PeJP	NA	NA
+PJ106558	VDMHRRR 	C38H68N18O10S	968.5087	NA	PeJP	NA	NA
+PJ106559	APHFRRW 	C46H64N16O8	968.5094	NA	PeJP	NA	NA
+PJ106560	GTTLKMRY 	C42H72N12O12S	968.5114	NA	PeJP	NA	NA
+PJ106561	GPPTLLWW 	C50H68N10O10	968.512	NA	PeJP	NA	NA
+PJ106562	ALMHRRW 	C43H68N16O8S	968.5127	NA	PeJP	NA	NA
+MJ098897	Sorangicin A; O21-?-D-Glucopyranoside 	C53H76O16	968.513336	NA	MeJP	NA	NA
+PJ106563	GTTLEHRR 	C39H68N16O13	968.5152	NA	PeJP	NA	NA
+PJ106564	GGGGGGGGPLKR 	C39H68N16O13	968.5153	NA	PeJP	NA	NA
+PJ106565	TLKKMYW 	C47H72N10O10S	968.5154	NA	PeJP	NA	NA
+PJ106566	PLLFFFW 	C55H68N8O8	968.5161	NA	PeJP	NA	NA
+PJ106567	VQHHHRR 	C40H64N20O9	968.5166	NA	PeJP	NA	NA
+PJ106568	STTLKKEY 	C43H72N10O15	968.5179	NA	PeJP	NA	NA
+PJ106569	GVLKKMMY 	C44H76N10O10S2	968.5188	NA	PeJP	NA	NA
+PJ106570	TLKEHRW 	C44H68N14O11	968.5192	NA	PeJP	NA	NA
+PJ106571	GGAPPTKRW 	C44H68N14O11	968.5193	NA	PeJP	NA	NA
+PJ106572	LLLMFFW 	C52H72N8O8S	968.5194	NA	PeJP	NA	NA
+PJ106573	CNKHRRR 	C37H68N20O9S	968.5199	NA	PeJP	NA	NA
+PJ106574	GVLLLEYY 	C48H72N8O13	968.5219	NA	PeJP	NA	NA
+PJ106575	GSCKKKRY 	C41H72N14O11S	968.5226	NA	PeJP	NA	NA
+PJ106576	SLLKHWW 	C49H68N12O9	968.5233	NA	PeJP	NA	NA
+PJ106577	PQQERRR 	C38H68N18O12	968.5265	NA	PeJP	NA	NA
+PJ106578	GPPLLMRW 	C46H72N12O9S	968.5266	NA	PeJP	NA	NA
+PJ106579	AHHHRRR 	C39H64N22O8	968.5278	NA	PeJP	NA	NA
+PJ106580	STTTLKRY 	C42H72N12O14	968.5291	NA	PeJP	NA	NA
+PJ106581	GGPVLLEER 	C42H72N12O14	968.5292	NA	PeJP	NA	NA
+PJ106582	LKKMMRY 	C43H76N12O9S2	968.53	NA	PeJP	NA	NA
+PJ106583	TTLHRRW 	C43H68N16O10	968.5305	NA	PeJP	NA	NA
+PJ106584	SPPLLKEW 	C47H72N10O12	968.5332	NA	PeJP	NA	NA
+PJ106585	LKEMHRR 	C40H72N16O10S	968.5339	NA	PeJP	NA	NA
+MJ098898	12-Oleanene-3,22-diol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyryranoside], 22-Ac 	C50H80O18	968.534465	NA	MeJP	NA	NA
+MJ098899	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-canaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C50H80O18	968.534465	NA	MeJP	NA	NA
+MJ098900	3,8,12,14-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C50H80O18	968.534465	NA	MeJP	NA	NA
+PJ106586	GKKKHWW 	C48H68N14O8	968.5345	NA	PeJP	NA	NA
+PJ106587	SSLLKKMY 	C44H76N10O12S	968.5365	NA	PeJP	NA	NA
+PJ106588	VLLLYYW 	C52H72N8O10	968.5372	NA	PeJP	NA	NA
+PJ106589	PNDRRRR 	C37H68N20O11	968.5377	NA	PeJP	NA	NA
+PJ106590	VLKMHRW 	C45H72N14O8S	968.5379	NA	PeJP	NA	NA
+HMDB09989	PIP(18:2(9Z,12Z)/20:1(11Z))	C47H86O16P2	968.539124	NA	HMDB2010	NA	NA
+HMDB10001	PIP(20:1(11Z)/18:2(9Z,12Z))	C47H86O16P2	968.539124	NA	HMDB2010	NA	NA
+PJ106591	GPLLEERR 	C41H72N14O13	968.5404	NA	PeJP	NA	NA
+PJ106592	GLLLLMFY 	C49H76N8O10S	968.5406	NA	PeJP	NA	NA
+PJ106593	APQRRRW 	C42H68N18O9	968.5417	NA	PeJP	NA	NA
+MJ098901	Polyoxypeptin A 	C45H76N8O15	968.543013	NA	MeJP	NA	NA
+PJ106594	GPVLLERW 	C46H72N12O11	968.5444	NA	PeJP	NA	NA
+PJ106595	TLMHRRR 	C39H72N18O9S	968.5451	NA	PeJP	NA	NA
+PJ106596	GSKKKKMY 	C43H76N12O11S	968.5478	NA	PeJP	NA	NA
+PJ106597	AAPLLLWW 	C51H72N10O9	968.5484	NA	PeJP	NA	NA
+PJ106598	SSTLLHRR 	C40H72N16O12	968.5516	NA	PeJP	NA	NA
+PJ106599	PPVVLKMW 	C48H76N10O9S	968.5518	NA	PeJP	NA	NA
+PJ106600	VKHHHRR 	C41H68N20O8	968.5529	NA	PeJP	NA	NA
+PJ106601	PLLLQKEE 	C44H76N10O14	968.5543	NA	PeJP	NA	NA
+PJ106602	VLLLLMMH 	C45H80N10O9S2	968.5552	NA	PeJP	NA	NA
+PJ106603	PLLERRW 	C45H72N14O10	968.5556	NA	PeJP	NA	NA
+PJ106604	ATLLLLYY 	C49H76N8O12	968.5583	NA	PeJP	NA	NA
+PJ106605	SPPLLMRR 	C42H76N14O10S	968.559	NA	PeJP	NA	NA
+PJ106606	PVLLRWW 	C50H72N12O8	968.5597	NA	PeJP	NA	NA
+PJ106607	PQKERRR 	C39H72N18O11	968.5628	NA	PeJP	NA	NA
+PJ106608	GAPKERRR 	C39H72N18O11	968.5629	NA	PeJP	NA	NA
+PJ106609	LKKMFFR 	C47H76N12O8S	968.563	NA	PeJP	NA	NA
+PJ106610	SSTKKKKY 	C43H76N12O13	968.5655	NA	PeJP	NA	NA
+PJ106611	GGGGGGGVLLLL 	C43H76N12O13	968.5656	NA	PeJP	NA	NA
+PJ106612	PVQKRRW 	C44H72N16O9	968.5669	NA	PeJP	NA	NA
+PJ106613	APLLLKEW 	C48H76N10O11	968.5695	NA	PeJP	NA	NA
+PJ106614	PVVVLKEW 	C48H76N10O11	968.5696	NA	PeJP	NA	NA
+PJ106615	GPPKKMRR 	C41H76N16O9S	968.5702	NA	PeJP	NA	NA
+PJ106616	GPPTLLLKM 	C45H80N10O11S	968.5729	NA	PeJP	NA	NA
+PJ106617	GLLLLFFF 	C53H76N8O9	968.5736	NA	PeJP	NA	NA
+PJ106618	PTQRRRR 	C38H72N20O10	968.5741	NA	PeJP	NA	NA
+PJ106619	SPVLLERR 	C42H76N14O12	968.5768	NA	PeJP	NA	NA
+PJ106620	APKRRRW 	C43H72N18O8	968.5781	NA	PeJP	NA	NA
+PJ106621	APTLLLRW 	C47H76N12O10	968.5808	NA	PeJP	NA	NA
+MJ098902	Foromacidin A; 4''-(2-Methylpropanoyl), 3-propanoyl 	C50H84N2O16	968.582084	NA	MeJP	NA	NA
+MJ098903	Foromacidin A; 4''-(3-Methylbutanoyl), 3-Ac 	C50H84N2O16	968.582084	NA	MeJP	NA	NA
+MJ098904	Foromacidin A; 4''-Butanoyl, 3-propanoyl 	C50H84N2O16	968.582084	NA	MeJP	NA	NA
+PJ106622	PVLLLQMR 	C44H80N12O10S	968.5842	NA	PeJP	NA	NA
+PJ106623	GPVKKERR 	C41H76N16O11	968.588	NA	PeJP	NA	NA
+PJ106624	PLLLKKEE 	C45H80N10O13	968.5907	NA	PeJP	NA	NA
+PJ106625	AAPLKKRW 	C46H76N14O9	968.592	NA	PeJP	NA	NA
+MJ098905	Dolastatin 12 	C50H80N8O11	968.594655	NA	MeJP	NA	NA
+PJ106626	APLLLMRR 	C43H80N14O9S	968.5954	NA	PeJP	NA	NA
+PJ106627	PKKERRR 	C40H76N18O10	968.5992	NA	PeJP	NA	NA
+PJ106628	PTLLLKER 	C44H80N12O12	968.6019	NA	PeJP	NA	NA
+PJ106629	LLKHFRR 	C45H76N16O8	968.6032	NA	PeJP	NA	NA
+PJ106630	PVKKRRW 	C45H76N16O8	968.6033	NA	PeJP	NA	NA
+PJ106631	SPLLLLKW 	C49H80N10O10	968.6059	NA	PeJP	NA	NA
+PJ106632	AAPLLLLKM 	C46H84N10O10S	968.6093	NA	PeJP	NA	NA
+PJ106633	PTKRRRR 	C39H76N20O9	968.6105	NA	PeJP	NA	NA
+PJ106634	GLLLLERR 	C43H80N14O11	968.6131	NA	PeJP	NA	NA
+PJ106635	AVLLLERR 	C43H80N14O11	968.6132	NA	PeJP	NA	NA
+PJ106636	GVLLLLRW 	C48H80N12O9	968.6172	NA	PeJP	NA	NA
+PJ106637	PVLLLKMR 	C45H84N12O9S	968.6205	NA	PeJP	NA	NA
+PJ106638	GLRRRRR 	C38H76N22O8	968.6217	NA	PeJP	NA	NA
+PJ106639	APTLKKRR 	C42H80N16O10	968.6244	NA	PeJP	NA	NA
+PJ106640	LLLLLQKE 	C46H84N10O12	968.6271	NA	PeJP	NA	NA
+PJ106641	LLLLRRW 	C47H80N14O8	968.6284	NA	PeJP	NA	NA
+PJ106642	LLQKRRR 	C41H80N18O9	968.6356	NA	PeJP	NA	NA
+PJ106643	VVLLLKER 	C45H84N12O11	968.6383	NA	PeJP	NA	NA
+PJ106644	ALLLLLKW 	C50H84N10O9	968.6423	NA	PeJP	NA	NA
+PJ106645	VVKRRRR 	C40H80N20O8	968.6468	NA	PeJP	NA	NA
+PJ106646	SVLLLLRR 	C44H84N14O10	968.6495	NA	PeJP	NA	NA
+PJ106647	GVLLKKRR 	C43H84N16O9	968.6608	NA	PeJP	NA	NA
+PJ106648	GSLLLLLLK 	C47H88N10O11	968.6634	NA	PeJP	NA	NA
+PJ106649	LLLLLKKE 	C47H88N10O11	968.6635	NA	PeJP	NA	NA
+PJ106650	LLKKRRR 	C42H84N18O8	968.672	NA	PeJP	NA	NA
+PJ106651	TLLLLLKR 	C46H88N12O10	968.6747	NA	PeJP	NA	NA
+PJ106652	ALLLKKKR 	C45H88N14O9	968.6859	NA	PeJP	NA	NA
+MJ098906	Plectaniaxanthin, 1'-O-(Hexadecanoyl-?-D-glucopyranoside) 	C62H96O8	968.71052	NA	MeJP	NA	NA
+PJ106653	VLLLKKKK 	C47H92N12O9	968.7111	NA	PeJP	NA	NA
+HMDB05464	TG(20:1(11Z)/20:1(11Z)/20:1(11Z))	C63H116O6	968.877197	NA	HMDB2010	NA	NA
+HMDB05464	TG(20:1(11Z)/20:1(11Z)/20:1(11Z))	C63H116O6	968.8772	http://www.hmdb.ca/metabolites/HMDB05464	HMDB	NA	NA
+HMDB05464	TG(20:1(11Z)/20:1(11Z)/20:1(11Z))	C63H116O6	968.8772	HMDB05464	PFEM_hmdb_metabocards_official	NA	NA
+PJ106654	CCCCCCCDD 	C29H47N9O14S7	969.1288	NA	PeJP	NA	NA
+PJ106655	SCCCCCCDM 	C30H51N9O13S7	969.1652	NA	PeJP	NA	NA
+MetaCyc04348	(3-methylphenyl)itaconyl-CoA [3-methylphenylitaconyl-CoA;]	C33H46N7O19P3S1	969.178203	NA	metacyc	NA	NA
+PJ106656	ACCCCCCMM 	C31H55N9O10S8	969.1838	NA	PeJP	NA	NA
+PJ106657	GCCCCCCEF 	C34H51N9O12S6	969.1982	NA	PeJP	NA	NA
+PJ106658	SSCCCCCMM 	C31H55N9O12S7	969.2015	NA	PeJP	NA	NA
+PJ106659	TTCCCCCCM 	C31H55N9O12S7	969.2016	NA	PeJP	NA	NA
+PJ106660	GCCCCDDDH 	C32H47N11O16S4	969.2086	NA	PeJP	NA	NA
+PJ106661	CCCCCCFW 	C38H51N9O9S6	969.2134	NA	PeJP	NA	NA
+PJ106662	GSCCCCCEY 	C34H51N9O14S5	969.2159	NA	PeJP	NA	NA
+PJ106663	SPCCCCCDH 	C33H51N11O13S5	969.2272	NA	PeJP	NA	NA
+PJ106664	SCCCCCYW 	C38H51N9O11S5	969.2312	NA	PeJP	NA	NA
+PJ106665	SSSCCCCDY 	C34H51N9O16S4	969.2337	NA	PeJP	NA	NA
+PJ106666	CCCCNMMY 	C35H55N9O11S6	969.2346	NA	PeJP	NA	NA
+PJ106667	GCCCCCNQH 	C32H51N13O12S5	969.2384	NA	PeJP	NA	NA
+PJ106668	GCCNNDDDD 	C32H47N11O20S2	969.2441	NA	PeJP	NA	NA
+PJ106669	GSCCCDDMH 	C33H51N11O15S4	969.2449	NA	PeJP	NA	NA
+PJ106670	APCCCCCMH 	C34H55N11O10S6	969.2458	NA	PeJP	NA	NA
+PJ106671	CCCCNDFY 	C38H51N9O13S4	969.249	NA	PeJP	NA	NA
+PJ106672	GSCDDDDDE 	C33H47N9O23S	969.2506	NA	PeJP	NA	NA
+PJ106673	GPCCDDDDM 	C34H51N9O18S3	969.2515	NA	PeJP	NA	NA
+PJ106674	GSTCCCCMY 	C35H55N9O13S5	969.2523	NA	PeJP	NA	NA
+PJ106675	SSCCCCNNH 	C32H51N13O14S4	969.2562	NA	PeJP	NA	NA
+PJ106676	SCCCCEHW 	C37H51N11O12S4	969.2602	NA	PeJP	NA	NA
+PJ106677	SSSCCCDEH 	C33H51N11O17S3	969.2627	NA	PeJP	NA	NA
+PJ106678	CCCNEMMH 	C34H55N11O12S5	969.2636	NA	PeJP	NA	NA
+PJ106679	SCDDDDDW 	C37H47N9O20S	969.2659	NA	PeJP	NA	NA
+PJ106680	PCCCDDEW 	C38H51N9O15S3	969.2667	NA	PeJP	NA	NA
+PJ106681	CCCCNMFF 	C39H55N9O10S5	969.2676	NA	PeJP	NA	NA
+PJ106682	SSSDDDDDD 	C33H47N9O25	969.2684	NA	PeJP	NA	NA
+PJ106683	NDDDDDMM 	C34H51N9O20S2	969.2692	NA	PeJP	NA	NA
+PJ106684	SSSSCCCMY 	C35H55N9O15S4	969.2701	NA	PeJP	NA	NA
+MJ098907	Antibiotic SP 969 	C44H49Cl2N7O14	969.271454	NA	MeJP	NA	NA
+PJ106685	GCCCNNNNE 	C32H51N13O16S3	969.2739	NA	PeJP	NA	NA
+PJ106686	GGGGGGGCCCNE 	C32H51N13O16S3	969.274	NA	PeJP	NA	NA
+PJ106687	CCCCDMHR 	C33H55N13O11S5	969.2748	NA	PeJP	NA	NA
+PJ106688	CCCNDEHF 	C37H51N11O14S3	969.278	NA	PeJP	NA	NA
+PJ106689	GCCCMMHW 	C38H55N11O9S5	969.2788	NA	PeJP	NA	NA
+PJ106690	GSCCNNDEE 	C33H51N11O19S2	969.2804	NA	PeJP	NA	NA
+PJ106691	CCDDDDER 	C33H51N11O19S2	969.2805	NA	PeJP	NA	NA
+PJ106692	GSSCCDMMH 	C34H55N11O14S4	969.2813	NA	PeJP	NA	NA
+PJ106693	CCCCQHHH 	C35H51N15O10S4	969.2827	NA	PeJP	NA	NA
+PJ106694	NDDDDDDF 	C37H47N9O22	969.2836	NA	PeJP	NA	NA
+PJ106695	GCDDDEMW 	C38H51N9O17S2	969.2845	NA	PeJP	NA	NA
+PJ106696	GCCCQMYY 	C39H55N9O12S4	969.2853	NA	PeJP	NA	NA
+PJ106697	GSSDDDDEM 	C34H51N9O22S	969.287	NA	PeJP	NA	NA
+PJ106698	GSPCCDEEM 	C35H55N9O17S3	969.2878	NA	PeJP	NA	NA
+PJ106699	GSPCDDDMM 	C35H55N9O17S3	969.2879	NA	PeJP	NA	NA
+PJ106700	CNDDDDHH 	C35H47N13O18S	969.2883	NA	PeJP	NA	NA
+PJ106701	GPPCCCEMM 	C36H59N9O12S5	969.2887	NA	PeJP	NA	NA
+PJ106702	CCCNNNNW 	C36H51N13O13S3	969.2892	NA	PeJP	NA	NA
+PJ106703	SSCCNNNND 	C32H51N13O18S2	969.2917	NA	PeJP	NA	NA
+PJ106704	GPCCCCNDR 	C33H55N13O13S4	969.2926	NA	PeJP	NA	NA
+PJ106705	GCCCDHFW 	C41H51N11O11S3	969.2932	NA	PeJP	NA	NA
+PJ106706	SCCNNDEW 	C37H51N11O16S2	969.2957	NA	PeJP	NA	NA
+PJ106707	STCCCMHW 	C38H55N11O11S4	969.2966	NA	PeJP	NA	NA
+PJ106708	SSSCNNDDE 	C33H51N11O21S	969.2982	NA	PeJP	NA	NA
+PJ106709	SSSSCCEMH 	C34H55N11O16S3	969.2991	NA	PeJP	NA	NA
+PJ106710	CDDDMWW 	C42H51N9O14S2	969.2997	NA	PeJP	NA	NA
+PJ106711	SCCQMMMH 	C35H59N11O11S5	969.2999	NA	PeJP	NA	NA
+PJ106712	GGTCCMMMH 	C35H59N11O11S5	969.3	NA	PeJP	NA	NA
+PJ106713	GSSCCCHHH 	C35H51N15O12S3	969.3004	NA	PeJP	NA	NA
+PJ106714	SSDDDDMW 	C38H51N9O19S	969.3022	NA	PeJP	NA	NA
+PJ106715	SPCCDEMW 	C39H55N9O14S3	969.3031	NA	PeJP	NA	NA
+PJ106716	PPCCCMMW 	C40H59N9O9S5	969.304	NA	PeJP	NA	NA
+PJ106717	SSSSDDDEE 	C34H51N9O24	969.3047	NA	PeJP	NA	NA
+PJ106718	SNDDEEMM 	C35H55N9O19S2	969.3056	NA	PeJP	NA	NA
+PJ106719	CDDEYYY 	C43H51N7O17S	969.3062	NA	PeJP	NA	NA
+PJ106720	PCNDEMMM 	C36H59N9O14S4	969.3065	NA	PeJP	NA	NA
+PJ106721	GSPCCDDHH 	C36H51N13O15S2	969.307	NA	PeJP	NA	NA
+PJ106722	APPCCCCHH 	C37H55N13O10S4	969.3078	NA	PeJP	NA	NA
+PJ106723	CCNNDDMR 	C33H55N13O15S3	969.3103	NA	PeJP	NA	NA
+PJ106724	CEMMMYY 	C41H59N7O12S4	969.3105	NA	PeJP	NA	NA
+PJ106725	GSCCNDWW 	C41H51N11O13S2	969.311	NA	PeJP	NA	NA
+PJ106726	SCCCMMHR 	C34H59N13O10S5	969.3112	NA	PeJP	NA	NA
+PJ106727	GSSSCNDDW 	C37H51N11O18S	969.3135	NA	PeJP	NA	NA
+PJ106728	GCNNDMMW 	C38H55N11O13S3	969.3143	NA	PeJP	NA	NA
+PJ106729	GGGGGCDMMW 	C38H55N11O13S3	969.3144	NA	PeJP	NA	NA
+PJ106730	GSSSSSNDDD 	C33H51N11O23	969.316	NA	PeJP	NA	NA
+PJ106731	SCDDDEMR 	C34H55N11O18S2	969.3168	NA	PeJP	NA	NA
+PJ106732	GGGGGSSDDMM 	C34H55N11O18S2	969.3169	NA	PeJP	NA	NA
+PJ106733	GPCDDDYW 	C42H51N9O16S	969.3175	NA	PeJP	NA	NA
+PJ106734	PCCDDMMR 	C35H59N11O13S4	969.3177	NA	PeJP	NA	NA
+PJ106735	CCNNNEHH 	C35H51N15O14S2	969.3182	NA	PeJP	NA	NA
+PJ106736	PPCCCDFW 	C43H55N9O11S3	969.3184	NA	PeJP	NA	NA
+PJ106737	CCCCKHHH 	C36H55N15O9S4	969.3191	NA	PeJP	NA	NA
+PJ106738	GNDDEEEY 	C38H51N9O21	969.32	NA	PeJP	NA	NA
+PJ106739	GSSSTCCYY 	C39H55N9O16S2	969.3208	NA	PeJP	NA	NA
+PJ106740	GSDDEMMW 	C39H55N9O16S2	969.3209	NA	PeJP	NA	NA
+PJ106741	GSCCCNNNR 	C32H55N15O14S3	969.3215	NA	PeJP	NA	NA
+PJ106742	GGGSCCCNNR 	C32H55N15O14S3	969.3216	NA	PeJP	NA	NA
+PJ106743	GPCDMMMW 	C40H59N9O11S4	969.3217	NA	PeJP	NA	NA
+PJ106744	GSSSDEEEM 	C35H55N9O21S	969.3234	NA	PeJP	NA	NA
+PJ106745	GNEEEMMM 	C36H59N9O16S3	969.3242	NA	PeJP	NA	NA
+PJ106746	CNNNNNDY 	C36H51N13O17S	969.3247	NA	PeJP	NA	NA
+PJ106747	CDEMFYY 	C44H55N7O14S2	969.3249	NA	PeJP	NA	NA
+PJ106748	GPPTCCMMM 	C37H63N9O11S5	969.3251	NA	PeJP	NA	NA
+PJ106749	GCCCNERW 	C37H55N13O12S3	969.3256	NA	PeJP	NA	NA
+PJ106750	GSSCCNDER 	C33H55N13O17S2	969.3281	NA	PeJP	NA	NA
+PJ106751	GCNNDDFW 	C41H51N11O15S	969.3287	NA	PeJP	NA	NA
+PJ106752	GSPCCCNMR 	C34H59N13O12S4	969.3289	NA	PeJP	NA	NA
+PJ106753	GGGSPCCCMR 	C34H59N13O12S4	969.329	NA	PeJP	NA	NA
+PJ106754	CCNQMWW 	C42H55N11O10S3	969.3296	NA	PeJP	NA	NA
+PJ106755	GDDDDDRY 	C37H51N11O20	969.3312	NA	PeJP	NA	NA
+PJ106756	SSCNNEMW 	C38H55N11O15S2	969.3321	NA	PeJP	NA	NA
+PJ106757	PCCCCQKW 	C39H59N11O10S4	969.333	NA	PeJP	NA	NA
+PJ106758	GCCNNHHW 	C39H51N15O11S2	969.3334	NA	PeJP	NA	NA
+PJ106759	GGGGGCCHHW 	C39H51N15O11S2	969.3335	NA	PeJP	NA	NA
+PJ106760	SSSSNNDEM 	C34H55N11O20S	969.3346	NA	PeJP	NA	NA
+PJ106761	NDDEEYW 	C42H51N9O18	969.3352	NA	PeJP	NA	NA
+PJ106762	GGDDEEYW 	C42H51N9O18	969.3353	NA	PeJP	NA	NA
+PJ106763	GDDDMMMR 	C35H59N11O15S3	969.3355	NA	PeJP	NA	NA
+PJ106764	GSSCNNDHH 	C35H51N15O16S	969.3359	NA	PeJP	NA	NA
+PJ106765	GGGGGSSCDHH 	C35H51N15O16S	969.336	NA	PeJP	NA	NA
+PJ106766	SDDMMWW 	C43H55N9O13S2	969.3361	NA	PeJP	NA	NA
+PJ106767	SCCKMMMH 	C36H63N11O10S5	969.3363	NA	PeJP	NA	NA
+PJ106768	PCCCDHHR 	C36H55N15O11S3	969.3368	NA	PeJP	NA	NA
+PJ106769	SSSDEEMW 	C39H55N9O18S	969.3386	NA	PeJP	NA	NA
+PJ106770	NEEMMMW 	C40H59N9O13S3	969.3395	NA	PeJP	NA	NA
+PJ106771	GSCDEHHW 	C40H51N13O14S	969.34	NA	PeJP	NA	NA
+PJ106772	CCCNRWW 	C41H55N13O9S3	969.3408	NA	PeJP	NA	NA
+PJ106773	SSSSSEEEE 	C35H55N9O23	969.3411	NA	PeJP	NA	NA
+PJ106774	SSQEEEMM 	C36H59N9O18S2	969.342	NA	PeJP	NA	NA
+PJ106775	GSSSDDEHH 	C36H51N13O19	969.3425	NA	PeJP	NA	NA
+PJ106776	SDEMYYY 	C44H55N7O16S	969.3426	NA	PeJP	NA	NA
+PJ106777	SSSPPCMMM 	C37H63N9O13S4	969.3428	NA	PeJP	NA	NA
+PJ106778	SPNEMMMM 	C37H63N9O13S4	969.3429	NA	PeJP	NA	NA
+PJ106779	SSCCNDRW 	C37H55N13O14S2	969.3433	NA	PeJP	NA	NA
+PJ106780	GGGGGGGGCNMF 	C37H55N13O14S2	969.3434	NA	PeJP	NA	NA
+PJ106781	PCMMYYY 	C45H59N7O11S3	969.3435	NA	PeJP	NA	NA
+PJ106782	ACCCMHFR 	C38H59N13O9S4	969.3442	NA	PeJP	NA	NA
+PJ106783	SSSSCNDDR 	C33H55N13O19S	969.3458	NA	PeJP	NA	NA
+PJ106784	GSNNDDYW 	C41H51N11O17	969.3465	NA	PeJP	NA	NA
+PJ106785	SCNNDMMR 	C34H59N13O14S3	969.3467	NA	PeJP	NA	NA
+PJ106786	TMMMMYY 	C42H63N7O11S4	969.3469	NA	PeJP	NA	NA
+PJ106787	GSSCNMWW 	C42H55N11O12S2	969.3473	NA	PeJP	NA	NA
+PJ106788	GGGSSCMWW 	C42H55N11O12S2	969.3474	NA	PeJP	NA	NA
+PJ106789	GSSSSNDMW 	C38H55N11O17S	969.3498	NA	PeJP	NA	NA
+PJ106790	GGGSSSSDMW 	C38H55N11O17S	969.3499	NA	PeJP	NA	NA
+PJ106791	GDDEYWW 	C46H51N9O15	969.3505	NA	PeJP	NA	NA
+PJ106792	CDEMMRW 	C39H59N11O12S3	969.3507	NA	PeJP	NA	NA
+PJ106793	PCCEFWW 	C47H55N9O10S2	969.3514	NA	PeJP	NA	NA
+PJ106794	GSSSSSSNEE 	C34H55N11O22	969.3523	NA	PeJP	NA	NA
+PJ106795	GGGSSSSSSEE 	C34H55N11O22	969.3524	NA	PeJP	NA	NA
+PJ106796	SSDDEMMR 	C35H59N11O17S2	969.3532	NA	PeJP	NA	NA
+MJ098908	Trestatin B 	C37H63NO28	969.35366	NA	MeJP	NA	NA
+PJ106797	NNNNNDEH 	C35H51N15O18	969.3537	NA	PeJP	NA	NA
+PJ106798	GSPDDMYW 	C43H55N9O15S	969.3539	NA	PeJP	NA	NA
+PJ106799	SPCDMMMR 	C36H63N11O12S4	969.3541	NA	PeJP	NA	NA
+PJ106800	GCDDMHHR 	C36H55N15O13S2	969.3546	NA	PeJP	NA	NA
+PJ106801	GEMMMWW 	C44H59N9O10S3	969.3547	NA	PeJP	NA	NA
+PJ106802	GPPPCCCFF 	C44H59N9O10S3	969.3548	NA	PeJP	NA	NA
+PJ106803	SCDHHWW 	C44H51N13O11S	969.3552	NA	PeJP	NA	NA
+PJ106804	GSQEEEEY 	C39H55N9O20	969.3564	NA	PeJP	NA	NA
+PJ106805	GSTEEMMW 	C40H59N9O15S2	969.3572	NA	PeJP	NA	NA
+PJ106806	GGGPEEMMY 	C40H59N9O15S2	969.3573	NA	PeJP	NA	NA
+PJ106807	SSSDDHHW 	C40H51N13O16	969.3577	NA	PeJP	NA	NA
+PJ106808	PCDFYYY 	C48H55N7O13S	969.3579	NA	PeJP	NA	NA
+PJ106809	GSPMMMMW 	C41H63N9O10S4	969.3581	NA	PeJP	NA	NA
+PJ106810	NDMMHHW 	C41H55N13O11S2	969.3586	NA	PeJP	NA	NA
+PJ106811	GSSTTEEEM 	C36H59N9O20S	969.3597	NA	PeJP	NA	NA
+PJ106812	GDKEEMMM 	C37H63N9O15S3	969.3606	NA	PeJP	NA	NA
+PJ106813	GCNNDERY 	C37H55N13O16S	969.3611	NA	PeJP	NA	NA
+PJ106814	AEMMYYY 	C45H59N7O13S2	969.3613	NA	PeJP	NA	NA
+PJ106815	APQMMMMM 	C38H67N9O10S5	969.3615	NA	PeJP	NA	NA
+PJ106816	PDDDHWW 	C45H51N11O14	969.3617	NA	PeJP	NA	NA
+PJ106817	GSCCQMRW 	C38H59N13O11S3	969.362	NA	PeJP	NA	NA
+PJ106818	GCNEHHHH 	C38H51N17O12S	969.3624	NA	PeJP	NA	NA
+PJ106819	CCQHFFW 	C46H55N11O9S2	969.3626	NA	PeJP	NA	NA
+PJ106820	SSSSSSSNNN 	C33H55N13O21	969.3636	NA	PeJP	NA	NA
+PJ106821	ASSSCCQER 	C34H59N13O16S2	969.3644	NA	PeJP	NA	NA
+PJ106822	GSSSCNEMR 	C34H59N13O16S2	969.3645	NA	PeJP	NA	NA
+PJ106823	SSSSCQWW 	C42H55N11O14S	969.3651	NA	PeJP	NA	NA
+PJ106824	GCNQMMMR 	C35H63N13O11S4	969.3653	NA	PeJP	NA	NA
+PJ106825	DDYWWW 	C50H51N9O12	969.3658	NA	PeJP	NA	NA
+PJ106826	CCNKMWW 	C43H59N11O9S3	969.366	NA	PeJP	NA	NA
+PJ106827	SSSSSSNEW 	C38H55N11O19	969.3676	NA	PeJP	NA	NA
+PJ106828	SSSNQMMW 	C39H59N11O14S2	969.3685	NA	PeJP	NA	NA
+PJ106829	GNNNNDHW 	C39H51N15O15	969.3689	NA	PeJP	NA	NA
+PJ106830	GGGNNNDHW 	C39H51N15O15	969.369	NA	PeJP	NA	NA
+PJ106831	SPCEYWW 	C47H55N9O12S	969.3691	NA	PeJP	NA	NA
+PJ106832	PCCCCKKW 	C40H63N11O9S4	969.3694	NA	PeJP	NA	NA
+PJ106833	CCEHHRW 	C40H55N15O10S2	969.3698	NA	PeJP	NA	NA
+PJ106834	MMMWWW 	C48H59N9O7S3	969.37	NA	PeJP	NA	NA
+PJ106835	SSSSSQQEM 	C35H59N11O19S	969.371	NA	PeJP	NA	NA
+PJ106836	SQEEEYW 	C43H55N9O17	969.3716	NA	PeJP	NA	NA
+PJ106837	ASDEMMMR 	C36H63N11O14S3	969.3718	NA	PeJP	NA	NA
+PJ106838	GSEEMMMR 	C36H63N11O14S3	969.3719	NA	PeJP	NA	NA
+PJ106839	SSCDEHHR 	C36H55N15O15S	969.3723	NA	PeJP	NA	NA
+PJ106840	GGGGGGGGGPTCH 	C36H55N15O15S	969.3724	NA	PeJP	NA	NA
+PJ106841	STEMMWW 	C44H59N9O12S2	969.3725	NA	PeJP	NA	NA
+PJ106842	APCMMMMR 	C37H67N11O9S5	969.3727	NA	PeJP	NA	NA
+PJ106843	NDDHHFW 	C44H51N13O13	969.373	NA	PeJP	NA	NA
+PJ106844	GSCCCRRW 	C37H59N15O10S3	969.3732	NA	PeJP	NA	NA
+PJ106845	ACMHHWW 	C45H55N13O8S2	969.3738	NA	PeJP	NA	NA
+PJ106846	SSTTEEMW 	C40H59N9O17S	969.375	NA	PeJP	NA	NA
+PJ106847	SPDYYYY 	C48H55N7O15	969.3756	NA	PeJP	NA	NA
+PJ106848	GSSSCCDRR 	C33H59N15O15S2	969.3757	NA	PeJP	NA	NA
+PJ106849	DKEMMMW 	C41H63N9O12S3	969.3759	NA	PeJP	NA	NA
+PJ106850	CNNDRYW 	C41H55N13O13S	969.3763	NA	PeJP	NA	NA
+PJ106851	GGGGCDRYW 	C41H55N13O13S	969.3764	NA	PeJP	NA	NA
+PJ106852	PCMFFYY 	C49H59N7O10S2	969.3765	NA	PeJP	NA	NA
+PJ106853	GCCNMMRR 	C34H63N15O10S4	969.3766	NA	PeJP	NA	NA
+PJ106854	MMMHHHF 	C42H59N13O8S3	969.3772	NA	PeJP	NA	NA
+PJ106855	SSSTTTEEE 	C36H59N9O22	969.3775	NA	PeJP	NA	NA
+PJ106856	CNHHHHW 	C42H51N17O9S	969.3777	NA	PeJP	NA	NA
+PJ106857	SSKEEEMM 	C37H63N9O17S2	969.3784	NA	PeJP	NA	NA
+PJ106858	SSNNDDRY 	C37H55N13O18	969.3788	NA	PeJP	NA	NA
+PJ106859	GGGGSSDDRY 	C37H55N13O18	969.3789	NA	PeJP	NA	NA
+PJ106860	TTEMYYY 	C45H59N7O15S	969.379	NA	PeJP	NA	NA
+PJ106861	GLQEMMMM 	C38H67N9O12S4	969.3792	NA	PeJP	NA	NA
+PJ106862	GGALEMMMM 	C38H67N9O12S4	969.3793	NA	PeJP	NA	NA
+PJ106863	SSSCNMRW 	C38H59N13O13S2	969.3797	NA	PeJP	NA	NA
+PJ106864	CLMMFYY 	C46H63N7O10S3	969.3799	NA	PeJP	NA	NA
+PJ106865	SSNDHHHH 	C38H51N17O14	969.3802	NA	PeJP	NA	NA
+PJ106866	GNNMYWW 	C46H55N11O11S	969.3804	NA	PeJP	NA	NA
+PJ106867	SSSSSNDMR 	C34H59N13O18S	969.3822	NA	PeJP	NA	NA
+PJ106868	GSSSSSSWW 	C42H55N11O16	969.3829	NA	PeJP	NA	NA
+PJ106869	SSNNMMMR 	C35H63N13O13S3	969.3831	NA	PeJP	NA	NA
+PJ106870	GSTCCKWW 	C43H59N11O11S2	969.3837	NA	PeJP	NA	NA
+PJ106871	GGGGGAMMFW 	C43H59N11O11S2	969.3838	NA	PeJP	NA	NA
+PJ106872	DMFWWW 	C51H55N9O9S	969.3844	NA	PeJP	NA	NA
+PJ106873	GSSSSTQMW 	C39H59N11O16S	969.3862	NA	PeJP	NA	NA
+PJ106874	GGGGGAATEMY 	C39H59N11O16S	969.3863	NA	PeJP	NA	NA
+PJ106875	GTEEYWW 	C47H55N9O14	969.3869	NA	PeJP	NA	NA
+PJ106876	SEMMMRW 	C40H63N11O11S3	969.3871	NA	PeJP	NA	NA
+PJ106877	GNNNMHHF 	C40H55N15O12S	969.3876	NA	PeJP	NA	NA
+PJ106878	GPMMYWW 	C48H59N9O9S2	969.3878	NA	PeJP	NA	NA
+PJ106879	GSSSSSSDKE 	C35H59N11O21	969.3887	NA	PeJP	NA	NA
+PJ106880	SSTEEMMR 	C36H63N11O16S2	969.3896	NA	PeJP	NA	NA
+PJ106881	GNNDEEHR 	C36H55N15O17	969.3901	NA	PeJP	NA	NA
+PJ106882	GSSCKYYY 	C44H59N9O14S	969.3902	NA	PeJP	NA	NA
+PJ106883	VNEEMYW 	C44H59N9O14S	969.3903	NA	PeJP	NA	NA
+PJ106884	AAEMMMMR 	C37H67N11O11S4	969.3905	NA	PeJP	NA	NA
+PJ106885	EFYYYW 	C52H55N7O12	969.3909	NA	PeJP	NA	NA
+PJ106886	GCCNDFRR 	C37H59N15O12S2	969.391	NA	PeJP	NA	NA
+PJ106887	SVMMMWW 	C45H63N9O9S3	969.3911	NA	PeJP	NA	NA
+PJ106888	SSMHHWW 	C45H55N13O10S	969.3916	NA	PeJP	NA	NA
+PJ106889	ASSSPTEEY 	C40H59N9O19	969.3927	NA	PeJP	NA	NA
+PJ106890	GSKEEEEY 	C40H59N9O19	969.3928	NA	PeJP	NA	NA
+PJ106891	SSSLEMMW 	C41H63N9O14S2	969.3936	NA	PeJP	NA	NA
+PJ106892	SSSTEHHW 	C41H55N13O15	969.3941	NA	PeJP	NA	NA
+PJ106893	APMYYYY 	C49H59N7O12S	969.3943	NA	PeJP	NA	NA
+PJ106894	LQMMMMW 	C42H67N9O9S4	969.3945	NA	PeJP	NA	NA
+PJ106895	CNNMFRW 	C42H59N13O10S2	969.395	NA	PeJP	NA	NA
+PJ106896	SSSSTLEEM 	C37H63N9O19S	969.3961	NA	PeJP	NA	NA
+PJ106897	ATKEEMMM 	C38H67N9O14S3	969.397	NA	PeJP	NA	NA
+PJ106898	GSSSSTCRW 	C38H59N13O15S	969.3975	NA	PeJP	NA	NA
+PJ106899	SLMMYYY 	C46H63N7O12S2	969.3976	NA	PeJP	NA	NA
+PJ106900	APKMMMMM 	C39H71N9O9S5	969.3979	NA	PeJP	NA	NA
+PJ106901	SSNQYWW 	C46H55N11O13	969.3981	NA	PeJP	NA	NA
+PJ106902	GSCCKMRW 	C39H63N13O10S3	969.3983	NA	PeJP	NA	NA
+PJ106903	GGPCCCKFR 	C39H63N13O10S3	969.3984	NA	PeJP	NA	NA
+PJ106904	GSQMHHHH 	C39H55N17O11S	969.3988	NA	PeJP	NA	NA
+PJ106905	CCKHFFW 	C47H59N11O8S2	969.399	NA	PeJP	NA	NA
+PJ106906	GSSSSSSSER 	C34H59N13O20	969.4	NA	PeJP	NA	NA
+PJ106907	GSSSSQMMR 	C35H63N13O15S2	969.4008	NA	PeJP	NA	NA
+PJ106908	GGGGSSSCCKK 	C35H63N13O15S2	969.4009	NA	PeJP	NA	NA
+PJ106909	SNNNNDHR 	C35H55N17O16	969.4013	NA	PeJP	NA	NA
+PJ106910	SSSSCKWW 	C43H59N11O13S	969.4015	NA	PeJP	NA	NA
+PJ106911	DMMMMRR 	C36H67N13O10S4	969.4017	NA	PeJP	NA	NA
+PJ106912	TEYWWW 	C51H55N9O11	969.4021	NA	PeJP	NA	NA
+PJ106913	PCMMFRW 	C44H63N11O8S3	969.4024	NA	PeJP	NA	NA
+PJ106914	GPPCHHHW 	C44H55N15O9S	969.4028	NA	PeJP	NA	NA
+PJ106915	SSSSSSDKW 	C39H59N11O18	969.404	NA	PeJP	NA	NA
+PJ106916	SSSKMMHY 	C40H63N11O13S2	969.4048	NA	PeJP	NA	NA
+PJ106917	SSSNKMMW 	C40H63N11O13S2	969.4049	NA	PeJP	NA	NA
+PJ106918	NNDEHRW 	C40H55N15O14	969.4053	NA	PeJP	NA	NA
+PJ106919	GGGGGGGTQHW 	C40H55N15O14	969.4054	NA	PeJP	NA	NA
+PJ106920	GVEMYWW 	C48H59N9O11S	969.4055	NA	PeJP	NA	NA
+PJ106921	SSCCCRRR 	C33H63N17O11S3	969.4056	NA	PeJP	NA	NA
+PJ106922	CLMMMRW 	C41H67N11O8S4	969.4057	NA	PeJP	NA	NA
+PJ106923	TCMHHRW 	C41H59N15O9S2	969.4062	NA	PeJP	NA	NA
+PJ106924	EHHHHHH 	C41H51N19O10	969.4067	NA	PeJP	NA	NA
+PJ106925	SSSSSQKEM 	C36H63N11O18S	969.4073	NA	PeJP	NA	NA
+PJ106926	GGSSSSTKEM 	C36H63N11O18S	969.4074	NA	PeJP	NA	NA
+PJ106927	SKEEEYW 	C44H59N9O16	969.408	NA	PeJP	NA	NA
+PJ106928	ATTEMMMR 	C37H67N11O13S3	969.4082	NA	PeJP	NA	NA
+PJ106929	GSCNDRRY 	C37H59N15O14S	969.4087	NA	PeJP	NA	NA
+PJ106930	PDKMMYW 	C45H63N9O11S2	969.4089	NA	PeJP	NA	NA
+PJ106931	GQQEHWW 	C45H55N13O12	969.4093	NA	PeJP	NA	NA
+PJ106932	GGAQEHWW 	C45H55N13O12	969.4094	NA	PeJP	NA	NA
+PJ106933	PCFFFFY 	C53H59N7O9S	969.4095	NA	PeJP	NA	NA
+PJ106934	QMMMHHR 	C38H63N15O9S3	969.4096	NA	PeJP	NA	NA
+PJ106935	GSCHHHHR 	C38H55N19O10S	969.4101	NA	PeJP	NA	NA
+PJ106936	TTTTTEMW 	C41H63N9O16S	969.4114	NA	PeJP	NA	NA
+PJ106937	GLEYYYY 	C49H59N7O14	969.412	NA	PeJP	NA	NA
+PJ106938	GSSSSCMRR 	C34H63N15O14S2	969.4121	NA	PeJP	NA	NA
+PJ106939	GTTLMMMW 	C42H67N9O11S3	969.4123	NA	PeJP	NA	NA
+PJ106940	SNNMRYW 	C42H59N13O12S	969.4127	NA	PeJP	NA	NA
+PJ106941	GGGGGGPPMHF 	C42H59N13O12S	969.4128	NA	PeJP	NA	NA
+PJ106942	CLMFFFY 	C50H63N7O9S2	969.4129	NA	PeJP	NA	NA
+PJ106943	ACCCKMRR 	C35H67N15O9S4	969.413	NA	PeJP	NA	NA
+PJ106944	GNNFFWW 	C50H55N11O10	969.4134	NA	PeJP	NA	NA
+PJ106945	STTTTTTEE 	C37H63N9O21	969.4139	NA	PeJP	NA	NA
+PJ106946	SSSSLLDMM 	C38H67N9O16S2	969.4147	NA	PeJP	NA	NA
+PJ106947	TTTKEEMM 	C38H67N9O16S2	969.4148	NA	PeJP	NA	NA
+PJ106948	SSSSSSSRW 	C38H59N13O17	969.4152	NA	PeJP	NA	NA
+PJ106949	GGGGPPDEER 	C38H59N13O17	969.4153	NA	PeJP	NA	NA
+PJ106950	GLKEMMMM 	C39H71N9O11S4	969.4156	NA	PeJP	NA	NA
+PJ106951	SSTCCKRW 	C39H63N13O12S2	969.4161	NA	PeJP	NA	NA
+PJ106952	GPDDHHHR 	C39H55N17O13	969.4166	NA	PeJP	NA	NA
+PJ106953	EMRYWW 	C47H59N11O10S	969.4167	NA	PeJP	NA	NA
+PJ106954	GGACKYWW 	C47H59N11O10S	969.4168	NA	PeJP	NA	NA
+PJ106955	SSSSSTQMR 	C35H63N13O17S	969.4186	NA	PeJP	NA	NA
+PJ106956	STEERYW 	C43H59N11O15	969.4192	NA	PeJP	NA	NA
+PJ106957	GGGSSKEYW 	C43H59N11O15	969.4193	NA	PeJP	NA	NA
+PJ106958	SSCQKMMR 	C36H67N13O12S3	969.4195	NA	PeJP	NA	NA
+PJ106959	GNNNQMHR 	C36H59N17O13S	969.4199	NA	PeJP	NA	NA
+PJ106960	GGGGGNQMHR 	C36H59N17O13S	969.42	NA	PeJP	NA	NA
+PJ106961	SPMMRYW 	C44H63N11O10S2	969.4201	NA	PeJP	NA	NA
+PJ106962	GNDHRWW 	C44H55N15O11	969.4206	NA	PeJP	NA	NA
+PJ106963	VMYWWW 	C52H59N9O8S	969.4208	NA	PeJP	NA	NA
+PJ106964	GSSSSTKMW 	C40H63N11O15S	969.4226	NA	PeJP	NA	NA
+PJ106965	SSLEYWW 	C48H59N9O13	969.4233	NA	PeJP	NA	NA
+PJ106966	GSCKKMMW 	C41H67N11O10S3	969.4235	NA	PeJP	NA	NA
+PJ106967	GSPCQHRW 	C41H59N15O11S	969.424	NA	PeJP	NA	NA
+PJ106968	GLMMFWW 	C49H63N9O8S2	969.4241	NA	PeJP	NA	NA
+PJ106969	QQHWWW 	C49H55N13O9	969.4246	NA	PeJP	NA	NA
+PJ106970	GSSSSSTTKE 	C36H63N11O20	969.4251	NA	PeJP	NA	NA
+PJ106971	TTTTEMMR 	C37H67N11O15S2	969.426	NA	PeJP	NA	NA
+PJ106972	SSQQQQQH 	C37H59N15O16	969.4264	NA	PeJP	NA	NA
+PJ106973	DEEEHRR 	C37H59N15O16	969.4265	NA	PeJP	NA	NA
+PJ106974	VDKEMYW 	C45H63N9O13S	969.4266	NA	PeJP	NA	NA
+PJ106975	PPPVDEMW 	C45H63N9O13S	969.4267	NA	PeJP	NA	NA
+PJ106976	GTLMMMMR 	C38H71N11O10S4	969.4269	NA	PeJP	NA	NA
+PJ106977	LYYYYW 	C53H59N7O11	969.4273	NA	PeJP	NA	NA
+PJ106978	GGGGAPMMHR 	C38H63N15O11S2	969.4274	NA	PeJP	NA	NA
+PJ106979	PKMMMFW 	C46H67N9O8S3	969.4275	NA	PeJP	NA	NA
+PJ106980	PCNKHWW 	C46H59N13O9S	969.428	NA	PeJP	NA	NA
+PJ106981	ATTKEEEY 	C41H63N9O18	969.4291	NA	PeJP	NA	NA
+PJ106982	PPLQEEEE 	C41H63N9O18	969.4292	NA	PeJP	NA	NA
+PJ106983	SSSSSTCRR 	C34H63N15O16S	969.4298	NA	PeJP	NA	NA
+PJ106984	STTTLMMW 	C42H67N9O13S2	969.43	NA	PeJP	NA	NA
+PJ106985	GSSSQRYW 	C42H59N13O14	969.4305	NA	PeJP	NA	NA
+PJ106986	ALMFYYY 	C50H63N7O11S	969.4306	NA	PeJP	NA	NA
+PJ106987	VCLFYYY 	C50H63N7O11S	969.4307	NA	PeJP	NA	NA
+PJ106988	LKMMMMW 	C43H71N9O8S4	969.4309	NA	PeJP	NA	NA
+PJ106989	GCNNNHRR 	C35H59N19O12S	969.4312	NA	PeJP	NA	NA
+PJ106990	CCQKFRW 	C43H63N13O9S2	969.4314	NA	PeJP	NA	NA
+PJ106991	QQHHHHF 	C43H55N17O10	969.4318	NA	PeJP	NA	NA
+PJ106992	SSTTTTLEM 	C38H67N9O18S	969.4325	NA	PeJP	NA	NA
+PJ106993	STLKEMMM 	C39H71N9O13S3	969.4334	NA	PeJP	NA	NA
+PJ106994	GSTQQMRY 	C39H63N13O14S	969.4338	NA	PeJP	NA	NA
+PJ106995	SEEMRRY 	C39H63N13O14S	969.4339	NA	PeJP	NA	NA
+PJ106996	SSNKYWW 	C47H59N11O12	969.4345	NA	PeJP	NA	NA
+PJ106997	APPMMMHR 	C40H67N13O9S3	969.4347	NA	PeJP	NA	NA
+PJ106998	CDHHFRR 	C40H59N17O10S	969.4352	NA	PeJP	NA	NA
+PJ106999	APHHHWW 	C48H55N15O8	969.4358	NA	PeJP	NA	NA
+PJ107000	GSSSSSTTTR 	C35H63N13O19	969.4363	NA	PeJP	NA	NA
+PJ107001	GSSSSKMMR 	C36H67N13O14S2	969.4372	NA	PeJP	NA	NA
+PJ107002	GSNDEHRR 	C36H59N17O15	969.4377	NA	PeJP	NA	NA
+PJ107003	SVEMRYW 	C44H63N11O12S	969.4379	NA	PeJP	NA	NA
+PJ107004	ACCKKMMR 	C37H71N13O9S4	969.4381	NA	PeJP	NA	NA
+PJ107005	GPVYYWW 	C52H59N9O10	969.4385	NA	PeJP	NA	NA
+PJ107006	CCNRRRY 	C37H63N17O10S2	969.4386	NA	PeJP	NA	NA
+PJ107007	GMHHFRW 	C45H59N15O8S	969.4392	NA	PeJP	NA	NA
+PJ107008	SSSSSTTKW 	C40H63N11O17	969.4404	NA	PeJP	NA	NA
+PJ107009	SSTCKKMW 	C41H67N11O12S2	969.4412	NA	PeJP	NA	NA
+PJ107010	GALEMMRY 	C41H67N11O12S2	969.4413	NA	PeJP	NA	NA
+PJ107011	SQQEHRW 	C41H59N15O13	969.4417	NA	PeJP	NA	NA
+PJ107012	ATLMYWW 	C49H63N9O10S	969.4419	NA	PeJP	NA	NA
+PJ107013	SSSSSKKEM 	C37H67N11O17S	969.4437	NA	PeJP	NA	NA
+PJ107014	GTTTLEYW 	C45H63N9O15	969.4444	NA	PeJP	NA	NA
+PJ107015	STTLMMMR 	C38H71N11O12S3	969.4446	NA	PeJP	NA	NA
+PJ107016	GSSNMRRY 	C38H63N15O13S	969.4451	NA	PeJP	NA	NA
+PJ107017	VLQMMYW 	C46H67N9O10S2	969.4453	NA	PeJP	NA	NA
+PJ107018	PPNDRWW 	C46H59N13O11	969.4457	NA	PeJP	NA	NA
+PJ107019	GGPPDRWW 	C46H59N13O11	969.4458	NA	PeJP	NA	NA
+PJ107020	CLFFFFF 	C54H63N7O8S	969.4459	NA	PeJP	NA	NA
+PJ107021	KMMMHHR 	C39H67N15O8S3	969.446	NA	PeJP	NA	NA
+PJ107022	GTLKEEMY 	C42H67N9O15S	969.4478	NA	PeJP	NA	NA
+PJ107023	SVLYYYY 	C50H63N7O13	969.4484	NA	PeJP	NA	NA
+PJ107024	GPLKMMMY 	C43H71N9O10S3	969.4486	NA	PeJP	NA	NA
+PJ107025	GGALLMMMF 	C43H71N9O10S3	969.4487	NA	PeJP	NA	NA
+PJ107026	SCQKRYW 	C43H63N13O11S	969.4491	NA	PeJP	NA	NA
+PJ107027	APPQWWW 	C51H59N11O9	969.4498	NA	PeJP	NA	NA
+PJ107028	SSSTTLLMM 	C39H71N9O15S2	969.4511	NA	PeJP	NA	NA
+PJ107029	SSSNKERY 	C39H63N13O16	969.4516	NA	PeJP	NA	NA
+PJ107030	GGGGGGGGAPVVE 	C39H63N13O16	969.4517	NA	PeJP	NA	NA
+PJ107031	SVLKMMMM 	C40H75N9O10S4	969.452	NA	PeJP	NA	NA
+PJ107032	VDMMRRY 	C40H67N13O11S2	969.4525	NA	PeJP	NA	NA
+PJ107033	SNDHRRW 	C40H59N17O12	969.4529	NA	PeJP	NA	NA
+PJ107034	GGSDHRRW 	C40H59N17O12	969.453	NA	PeJP	NA	NA
+PJ107035	GCKKYWW 	C48H63N11O9S	969.4531	NA	PeJP	NA	NA
+PJ107036	VFFWWW 	C56H59N9O7	969.4538	NA	PeJP	NA	NA
+PJ107037	SSSSSTKMR 	C36H67N13O16S	969.455	NA	PeJP	NA	NA
+PJ107038	GSSDKKYW 	C44H63N11O14	969.4556	NA	PeJP	NA	NA
+PJ107039	GGAPPKEEW 	C44H63N11O14	969.4557	NA	PeJP	NA	NA
+PJ107040	SSCKKMMR 	C37H71N13O11S3	969.4559	NA	PeJP	NA	NA
+PJ107041	NQEMHRR 	C37H63N17O12S	969.4563	NA	PeJP	NA	NA
+PJ107042	GGGGGGPPCRR 	C37H63N17O12S	969.4564	NA	PeJP	NA	NA
+PJ107043	ALMMRYW 	C45H67N11O9S2	969.4565	NA	PeJP	NA	NA
+PJ107044	GTQHRWW 	C45H59N15O10	969.457	NA	PeJP	NA	NA
+PJ107045	GTTLEMRY 	C41H67N11O14S	969.459	NA	PeJP	NA	NA
+PJ107046	TTTLYWW 	C49H63N9O12	969.4596	NA	PeJP	NA	NA
+PJ107047	GAPTLYYW 	C49H63N9O12	969.4597	NA	PeJP	NA	NA
+PJ107048	AALMMMFR 	C42H71N11O9S3	969.4599	NA	PeJP	NA	NA
+PJ107049	VNQMHRW 	C42H63N15O10S	969.4603	NA	PeJP	NA	NA
+PJ107050	GGVQMHRW 	C42H63N15O10S	969.4604	NA	PeJP	NA	NA
+PJ107051	QKHWWW 	C50H59N13O8	969.461	NA	PeJP	NA	NA
+PJ107052	SSSSSSSTLK 	C37H67N11O19	969.4615	NA	PeJP	NA	NA
+PJ107053	GSSTTKKMM 	C38H71N11O14S2	969.4624	NA	PeJP	NA	NA
+PJ107054	SSSSQRRY 	C38H63N15O15	969.4628	NA	PeJP	NA	NA
+PJ107055	GGSPPDERR 	C38H63N15O15	969.4629	NA	PeJP	NA	NA
+PJ107056	TLKEMYW 	C46H67N9O12S	969.463	NA	PeJP	NA	NA
+PJ107057	ACKKKMMM 	C39H75N11O9S4	969.4632	NA	PeJP	NA	NA
+PJ107058	VCCKKKMM 	C39H75N11O9S4	969.4633	NA	PeJP	NA	NA
+PJ107059	ALFFFYY 	C54H63N7O10	969.4637	NA	PeJP	NA	NA
+PJ107060	QQQHHHR 	C39H59N19O11	969.4642	NA	PeJP	NA	NA
+PJ107061	PPMHFRW 	C47H63N13O8S	969.4644	NA	PeJP	NA	NA
+PJ107062	STTLKEEY 	C42H67N9O17	969.4655	NA	PeJP	NA	NA
+PJ107063	GVLKEMMY 	C43H71N9O12S2	969.4664	NA	PeJP	NA	NA
+PJ107064	GSSSKRYW 	C43H63N13O13	969.4669	NA	PeJP	NA	NA
+PJ107065	CNEHRRR 	C36H63N19O11S	969.4676	NA	PeJP	NA	NA
+PJ107066	CCKKFRW 	C44H67N13O8S2	969.4677	NA	PeJP	NA	NA
+PJ107067	PTHHHRW 	C44H59N17O9	969.4682	NA	PeJP	NA	NA
+PJ107068	TTTTTTTLM 	C39H71N9O17S	969.4689	NA	PeJP	NA	NA
+PJ107069	GSTQKMRY 	C40H67N13O13S	969.4702	NA	PeJP	NA	NA
+PJ107070	GVLEEMHR 	C40H67N13O13S	969.4703	NA	PeJP	NA	NA
+PJ107071	SLLEHWW 	C48H63N11O11	969.4709	NA	PeJP	NA	NA
+PJ107072	VMMMFRR 	C41H71N13O8S3	969.4711	NA	PeJP	NA	NA
+PJ107073	GQMHRRW 	C41H63N17O9S	969.4716	NA	PeJP	NA	NA
+PJ107074	GSTQEHRR 	C37H63N17O14	969.4741	NA	PeJP	NA	NA
+PJ107075	SQKKMYW 	C45H67N11O11S	969.4742	NA	PeJP	NA	NA
+PJ107076	TTLMRYW 	C45H67N11O11S	969.4743	NA	PeJP	NA	NA
+PJ107077	GVLFYWW 	C53H63N9O9	969.4749	NA	PeJP	NA	NA
+PJ107078	APCCKHRR 	C38H67N17O9S2	969.475	NA	PeJP	NA	NA
+PJ107079	NNHHHRR 	C38H59N21O10	969.4754	NA	PeJP	NA	NA
+PJ107080	TTTTQQKY 	C41H67N11O16	969.4767	NA	PeJP	NA	NA
+PJ107081	STTTLERY 	C41H67N11O16	969.4768	NA	PeJP	NA	NA
+PJ107082	LKEMMRY 	C42H71N11O11S2	969.4776	NA	PeJP	NA	NA
+PJ107083	GGGPPPVKMM 	C42H71N11O11S2	969.4777	NA	PeJP	NA	NA
+PJ107084	GSPPDRRW 	C42H63N15O12	969.4781	NA	PeJP	NA	NA
+PJ107085	PVKMFYW 	C50H67N9O9S	969.4783	NA	PeJP	NA	NA
+PJ107086	SSSTTTKKM 	C38H71N11O16S	969.4801	NA	PeJP	NA	NA
+PJ107087	SSTTLLYW 	C46H67N9O14	969.4808	NA	PeJP	NA	NA
+PJ107088	SSKKKMMM 	C39H75N11O11S3	969.481	NA	PeJP	NA	NA
+3394	ACE inhibitor	FPFEVFGK	969.481	celiac toxic	Inhouse_peptide	NA	peptide
+PJ107089	GSTCKRRY 	C39H67N15O12S	969.4815	NA	PeJP	NA	NA
+PJ107090	VLKMMYW 	C47H71N9O9S2	969.4817	NA	PeJP	NA	NA
+PJ107091	PPTQRWW 	C47H63N13O10	969.4821	NA	PeJP	NA	NA
+PJ107092	GCHRRRW 	C40H63N19O8S	969.4828	NA	PeJP	NA	NA
+PJ107093	SSLLKEMY 	C43H71N9O14S	969.4841	NA	PeJP	NA	NA
+PJ107094	VVTTKEMY 	C43H71N9O14S	969.4842	NA	PeJP	NA	NA
+PJ107095	GLLKMMMF 	C44H75N9O9S3	969.485	NA	PeJP	NA	NA
+PJ107096	GSSDHRRR 	C36H63N19O13	969.4853	NA	PeJP	NA	NA
+PJ107097	SCKKRYW 	C44H67N13O10S	969.4855	NA	PeJP	NA	NA
+PJ107098	APPKWWW 	C52H63N11O8	969.4861	NA	PeJP	NA	NA
+PJ107099	PVVHFWW 	C52H63N11O8	969.4862	NA	PeJP	NA	NA
+PJ107100	SSSDKKRY 	C40H67N13O15	969.488	NA	PeJP	NA	NA
+PJ107101	TLMMRRY 	C41H71N13O10S2	969.4889	NA	PeJP	NA	NA
+PJ107102	STQHRRW 	C41H63N17O11	969.4893	NA	PeJP	NA	NA
+PJ107103	GGGGPQRRW 	C41H63N17O11	969.4894	NA	PeJP	NA	NA
+PJ107104	VVLMHWW 	C49H67N11O8S	969.4895	NA	PeJP	NA	NA
+PJ107105	GSTTKKYW 	C45H67N11O13	969.492	NA	PeJP	NA	NA
+PJ107106	GPPCERRR 	C38H67N17O11S	969.4927	NA	PeJP	NA	NA
+PJ107107	CKKKMFW 	C46H71N11O8S2	969.4929	NA	PeJP	NA	NA
+PJ107108	GTKHRWW 	C46H63N15O9	969.4934	NA	PeJP	NA	NA
+2941	NA	FGGFTGARKSKLKWDNQ	969.4944	MH2+	Inhouse_peptide	NA	peptide
+PJ107109	SSTLLMRY 	C42H71N11O13S	969.4954	NA	PeJP	NA	NA
+PJ107110	PTLKYYW 	C50H67N9O11	969.496	NA	PeJP	NA	NA
+PJ107111	PPPVVEFW 	C50H67N9O11	969.4961	NA	PeJP	NA	NA
+PJ107112	PPQMRRW 	C43H67N15O9S	969.4967	NA	PeJP	NA	NA
+PJ107113	KKHWWW 	C51H63N13O7	969.4974	NA	PeJP	NA	NA
+PJ107114	SSSSKRRY 	C39H67N15O14	969.4992	NA	PeJP	NA	NA
+PJ107115	GGGPLEERR 	C39H67N15O14	969.4993	NA	PeJP	NA	NA
+PJ107116	PPVVLEMW 	C47H71N9O11S	969.4994	NA	PeJP	NA	NA
+PJ107117	APCKKMHR 	C40H71N15O9S2	969.5001	NA	PeJP	NA	NA
+PJ107118	VEHHHRR 	C40H63N19O10	969.5006	NA	PeJP	NA	NA
+PJ107119	SSSSTLLLY 	C43H71N9O16	969.5019	NA	PeJP	NA	NA
+2589	tenecin-1 (17-27)	DAACAAHCLFR~	969.5019	NA	Inhouse_peptide	NA	peptide
+PJ107120	ATLLKMMY 	C44H75N9O11S2	969.5028	NA	PeJP	NA	NA
+PJ107121	SSPTKKHW 	C44H67N13O12	969.5032	NA	PeJP	NA	NA
+PJ107122	GPPTKERW 	C44H67N13O12	969.5033	NA	PeJP	NA	NA
+PJ107123	SQMHRRR 	C37H67N19O10S	969.5039	NA	PeJP	NA	NA
+PJ107124	GGTMHRRR 	C37H67N19O10S	969.504	NA	PeJP	NA	NA
+PJ107125	VVHHHRW 	C45H63N17O8	969.5046	NA	PeJP	NA	NA
+PJ107126	GSTKKMRY 	C41H71N13O12S	969.5066	NA	PeJP	NA	NA
+PJ107127	GGGGAAPPKKM 	C41H71N13O12S	969.5067	NA	PeJP	NA	NA
+5436	bovine lactoferrin (LFb 17-30)	FKCRRWQWRMKKLG	969.5072	MH2+	Inhouse_peptide	NA	peptide
+PJ107128	PPKKEWW 	C49H67N11O10	969.5073	NA	PeJP	NA	NA
+PJ107129	PPCRRRW 	C42H67N17O8S	969.508	NA	PeJP	NA	NA
+PJ107130	PQEERRR 	C38H67N17O13	969.5105	NA	PeJP	NA	NA
+PJ107131	SKKKMYW 	C46H71N11O10S	969.5106	NA	PeJP	NA	NA
+PJ107132	GTLLLMHW 	C46H71N11O10S	969.5107	NA	PeJP	NA	NA
+PJ107133	PVKFFFW 	C54H67N9O8	969.5113	NA	PeJP	NA	NA
+3977	ACE inhibitor	LDAQSAPLR	969.5119	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ107134	SSTKKKEY 	C42H71N11O15	969.5131	NA	PeJP	NA	NA
+PJ107135	PVVLEEER 	C42H71N11O15	969.5132	NA	PeJP	NA	NA
+PJ107136	AAKKKMMY 	C43H75N11O10S2	969.514	NA	PeJP	NA	NA
+PJ107137	PVQERRW 	C43H67N15O11	969.5145	NA	PeJP	NA	NA
+PJ107138	VLKMFFW 	C51H71N9O8S	969.5147	NA	PeJP	NA	NA
+PJ107139	SCHRRRR 	C36H67N21O9S	969.5152	NA	PeJP	NA	NA
+PJ107140	APLLLEEW 	C47H71N9O13	969.5172	NA	PeJP	NA	NA
+PJ107141	GPPKEMRR 	C40H71N15O11S	969.5179	NA	PeJP	NA	NA
+PJ107142	PPTKRWW 	C48H67N13O9	969.5185	NA	PeJP	NA	NA
+PJ107143	TTTLLKMY 	C44H75N9O13S	969.5205	NA	PeJP	NA	NA
+PJ107144	ASPPLLLEM 	C44H75N9O13S	969.5206	NA	PeJP	NA	NA
+PJ107145	PDDRRRR 	C37H67N19O12	969.5217	NA	PeJP	NA	NA
+PJ107146	GPPVKMRW 	C45H71N13O9S	969.5219	NA	PeJP	NA	NA
+PJ107147	SSTTKKRY 	C41H71N13O14	969.5244	NA	PeJP	NA	NA
+PJ107148	GLLLMMHR 	C42H75N13O9S2	969.5253	NA	PeJP	NA	NA
+PJ107149	APERRRW 	C42H67N17O10	969.5257	NA	PeJP	NA	NA
+PJ107150	STTLLLHW 	C46H71N11O12	969.5284	NA	PeJP	NA	NA
+PJ107151	GPPTMRRR 	C39H71N17O10S	969.5291	NA	PeJP	NA	NA
+PJ107152	GPLRRWW 	C47H67N15O8	969.5298	NA	PeJP	NA	NA
+PJ107153	ATTKKKMY 	C43H75N11O12S	969.5318	NA	PeJP	NA	NA
+PJ107154	VVLKYYW 	C51H71N9O10	969.5324	NA	PeJP	NA	NA
+PJ107155	PPKMRRW 	C44H71N15O8S	969.5331	NA	PeJP	NA	NA
+PJ107156	GPVKEERR 	C40H71N15O13	969.5356	NA	PeJP	NA	NA
+PJ107157	GGGGGGGGLLLR 	C40H71N15O13	969.5357	NA	PeJP	NA	NA
+PJ107158	PPTLLLMW 	C48H75N9O10S	969.5358	NA	PeJP	NA	NA
+PJ107159	AQHFRRR 	C41H67N19O9	969.537	NA	PeJP	NA	NA
+PJ107160	PLLLKEEE 	C44H75N9O15	969.5383	NA	PeJP	NA	NA
+PJ107161	GPPVLLLMM 	C45H79N9O10S2	969.5392	NA	PeJP	NA	NA
+PJ107162	SSPPLKRW 	C45H71N13O11	969.5396	NA	PeJP	NA	NA
+PJ107163	AAPLKERW 	C45H71N13O11	969.5397	NA	PeJP	NA	NA
+PJ107164	SKMHRRR 	C38H71N19O9S	969.5403	NA	PeJP	NA	NA
+PJ107165	STLLLMHR 	C42H75N13O11S	969.543	NA	PeJP	NA	NA
+PJ107166	PLLQKWW 	C50H71N11O9	969.5437	NA	PeJP	NA	NA
+PJ107167	ATTTKHRR 	C39H71N17O12	969.5468	NA	PeJP	NA	NA
+PJ107168	PKEERRR 	C39H71N17O12	969.5469	NA	PeJP	NA	NA
+PJ107169	APPLKKMW 	C47H75N11O9S	969.547	NA	PeJP	NA	NA
+8334	f(30-37) of alpha S1 casein	VLNENLLR	969.5488	NA  ;SYN:(2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid; (4R)-4-hydroxy-L-proline; 4-Hydroxy-2-pyrrolidinecarboxylic acid; 4-Hydroxy-L-proline; 4-Hydroxyproline; 4-L-Hydroxyproline; Hydroxy-l-proline; hydroxy-proline; Hydroxyproline; hydroxiproline; L-4-Hydroxyproline; L-hydroxyproline; L-threo-4-hydroxyproline; LS-hydroxyproline; Oxaceprol; Trans-hydroxyproline; Trans-l-hydroxyproline; delta-hydroxyproline; trans-4-Hydroxy-L-proline; trans-4-HydroxyprolineH2Blood; Urine	Inhouse_peptide	NA	peptide
+PJ107170	TTTTKKKY 	C43H75N11O14	969.5495	NA	PeJP	NA	NA
+PJ107171	AAPVVKKEE 	C43H75N11O14	969.5496	NA	PeJP	NA	NA
+PJ107172	PPLLLMMR 	C44H79N11O9S2	969.5504	NA	PeJP	NA	NA
+PJ107173	PVKERRW 	C44H71N15O10	969.5509	NA	PeJP	NA	NA
+PJ107174	SPLLLLEW 	C48H75N9O12	969.5536	NA	PeJP	NA	NA
+PJ107175	SPPVKMRR 	C41H75N15O10S	969.5543	NA	PeJP	NA	NA
+PJ107176	PVVKRWW 	C49H71N13O8	969.5549	NA	PeJP	NA	NA
+PJ107177	AAPLLLLEM 	C45H79N9O12S	969.5569	NA	PeJP	NA	NA
+PJ107178	PTERRRR 	C38H71N19O11	969.5581	NA	PeJP	NA	NA
+PJ107179	LKKKMHW 	C46H75N13O8S	969.5583	NA	PeJP	NA	NA
+PJ107180	APLKKEER 	C42H75N13O13	969.5608	NA	PeJP	NA	NA
+PJ107181	SPLRRRW 	C43H71N17O9	969.5621	NA	PeJP	NA	NA
+PJ107182	GPLLKKEW 	C47H75N11O11	969.5648	NA	PeJP	NA	NA
+PJ107183	AAPLMRRR 	C40H75N17O9S	969.5655	NA	PeJP	NA	NA
+PJ107184	PVLLLEMR 	C44H79N11O11S	969.5682	NA	PeJP	NA	NA
+PJ107185	PPVVLLFW 	C52H75N9O9	969.5688	NA	PeJP	NA	NA
+PJ107186	AQQRRRR 	C37H71N21O10	969.5693	NA	PeJP	NA	NA
+PJ107187	APTLKERR 	C41H75N15O12	969.572	NA	PeJP	NA	NA
+PJ107188	PVVLLLMW 	C49H79N9O9S	969.5722	NA	PeJP	NA	NA
+PJ107189	KKKHHHR 	C42H71N19O8	969.5733	NA	PeJP	NA	NA
+PJ107190	AKHFRRR 	C42H71N19O8	969.5734	NA	PeJP	NA	NA
+PJ107191	LLLLLQEE 	C45H79N9O14	969.5747	NA	PeJP	NA	NA
+PJ107192	GPTLLKRW 	C46H75N13O10	969.576	NA	PeJP	NA	NA
+PJ107193	PVMRRRR 	C39H75N19O8S	969.5767	NA	PeJP	NA	NA
+PJ107194	PPTLKKMR 	C43H79N13O10S	969.5794	NA	PeJP	NA	NA
+PJ107195	PLLKKWW 	C51H75N11O8	969.5801	NA	PeJP	NA	NA
+PJ107196	GNRRRRR 	C36H71N23O9	969.5806	NA	PeJP	NA	NA
+PJ107197	LLQERRR 	C40H75N17O11	969.5832	NA	PeJP	NA	NA
+PJ107198	GALLERRR 	C40H75N17O11	969.5833	NA	PeJP	NA	NA
+PJ107199	VVLLLEER 	C44H79N11O13	969.5859	NA	PeJP	NA	NA
+PJ107200	VLLQRRW 	C45H75N15O9	969.5873	NA	PeJP	NA	NA
+PJ107201	VVVLLLEW 	C49H79N9O11	969.5899	NA	PeJP	NA	NA
+PJ107202	ALLLLLEW 	C49H79N9O11	969.59	NA	PeJP	NA	NA
+PJ107203	GPLLKMRR 	C42H79N15O9S	969.5906	NA	PeJP	NA	NA
+PJ107204	GPTLLLLLM 	C46H83N9O11S	969.5933	NA	PeJP	NA	NA
+PJ107205	VVERRRR 	C39H75N19O10	969.5945	NA	PeJP	NA	NA
+PJ107206	SPLLKKER 	C43H79N13O12	969.5972	NA	PeJP	NA	NA
+PJ107207	ALLRRRW 	C44H75N17O8	969.5985	NA	PeJP	NA	NA
+PJ107208	SPVLLKKW 	C48H79N11O10	969.6012	NA	PeJP	NA	NA
+PJ107209	PLLLQKKM 	C45H83N11O10S	969.6046	NA	PeJP	NA	NA
+PJ107210	AQKRRRR 	C38H75N21O9	969.6057	NA	PeJP	NA	NA
+PJ107211	GVLLKERR 	C42H79N15O11	969.6084	NA	PeJP	NA	NA
+PJ107212	LLLLLKEE 	C46H83N9O13	969.6111	NA	PeJP	NA	NA
+PJ107213	AALLLKRW 	C47H79N13O9	969.6124	NA	PeJP	NA	NA
+PJ107214	PVVLKKMR 	C44H83N13O9S	969.6158	NA	PeJP	NA	NA
+PJ107215	LLKERRR 	C41H79N17O10	969.6196	NA	PeJP	NA	NA
+PJ107216	TLLLLLER 	C45H83N11O12	969.6223	NA	PeJP	NA	NA
+PJ107217	PKKKKRW 	C46H79N15O8	969.6236	NA	PeJP	NA	NA
+PJ107218	VLLKRRW 	C46H79N15O8	969.6237	NA	PeJP	NA	NA
+PJ107219	SLLLLLLW 	C50H83N9O10	969.6263	NA	PeJP	NA	NA
+PJ107220	AALLLLLLM 	C47H87N9O10S	969.6297	NA	PeJP	NA	NA
+PJ107221	TLLRRRR 	C40H79N19O9	969.6309	NA	PeJP	NA	NA
+PJ107222	ALLLKKER 	C44H83N13O11	969.6335	NA	PeJP	NA	NA
+PJ107223	VVLLDKKR 	C44H83N13O11	969.6336	NA	PeJP	NA	NA
+PJ107224	GLLLLKKW 	C49H83N11O9	969.6376	NA	PeJP	NA	NA
+PJ107225	VLLLLLMR 	C46H87N11O9S	969.6409	NA	PeJP	NA	NA
+PJ107226	AKKRRRR 	C39H79N21O8	969.6421	NA	PeJP	NA	NA
+PJ107227	ATLLLKRR 	C43H83N15O10	969.6448	NA	PeJP	NA	NA
+PJ107228	ATTLLLLLL 	C47H87N9O12	969.6475	NA	PeJP	NA	NA
+PJ107229	AALKKKRR 	C42H83N17O9	969.656	NA	PeJP	NA	NA
+PJ107230	VLLLKKKE 	C46H87N11O11	969.6587	NA	PeJP	NA	NA
+PJ107231	VKKKRRR 	C41H83N19O8	969.6673	NA	PeJP	NA	NA
+PJ107232	SLLLLKKR 	C45H87N13O10	969.6699	NA	PeJP	NA	NA
+PJ107233	GLLKKKKR 	C44H87N15O9	969.6812	NA	PeJP	NA	NA
+PJ107234	VVLKKKKK 	C46H91N13O9	969.7063	NA	PeJP	NA	NA
+2679	NA	GGDYHCRMGPLTWVCKPLGG	969.97715	MH2+	Inhouse_peptide	NA	peptide
+2597	tachylepsin II from homocytes of horse shoe crab	RWCFRVCYRGICYRRCRG	970.0365	MH2+	Inhouse_peptide	NA	peptide
+MJ098909	Amariinic acid 	C41H30O28	970.09236	NA	MeJP	NA	NA
+MJ098910	Mallotinin 	C41H30O28	970.09236	NA	MeJP	NA	NA
+MJ098911	Phyllanthusiin B 	C41H30O28	970.09236	NA	MeJP	NA	NA
+MJ098912	Repandusinic acid A 	C41H30O28	970.09236	NA	MeJP	NA	NA
+MJ098913	Valolaginic acid 	C41H30O28	970.09236	NA	MeJP	NA	NA
+PJ107235	CCCCCCCCQ 	C29H50N10O11S8	970.1427	NA	PeJP	NA	NA
+PJ107236	GSSCCCCCCC 	C29H50N10O13S7	970.1604	NA	PeJP	NA	NA
+PJ107237	CCCCCCCCK 	C30H54N10O10S8	970.1791	NA	PeJP	NA	NA
+PJ107238	GCCCCCCNY 	C33H50N10O12S6	970.1934	NA	PeJP	NA	NA
+PJ107239	CCCCDMMY 	C35H54N8O12S6	970.2186	NA	PeJP	NA	NA
+PJ107240	GCCCCCNEH 	C32H50N12O13S5	970.2224	NA	PeJP	NA	NA
+PJ107241	GCCNDDDDD 	C32H46N10O21S2	970.2281	NA	PeJP	NA	NA
+PJ107242	CCCCDDFY 	C38H50N8O14S4	970.233	NA	PeJP	NA	NA
+PJ107243	CCCCMMMF 	C36H58N8O9S7	970.2372	NA	PeJP	NA	NA
+PJ107244	CCCCCNHW 	C36H50N12O10S5	970.2377	NA	PeJP	NA	NA
+PJ107245	SSCCCCNDH 	C32H50N12O15S4	970.2402	NA	PeJP	NA	NA
+PJ107246	SPCCCNDDD 	C33H50N10O18S3	970.2467	NA	PeJP	NA	NA
+PJ107247	CCCDEMMH 	C34H54N10O13S5	970.2476	NA	PeJP	NA	NA
+PJ107248	SCCCDDYY 	C38H50N8O16S3	970.2507	NA	PeJP	NA	NA
+PJ107249	CCCCDMFF 	C39H54N8O11S5	970.2516	NA	PeJP	NA	NA
+PJ107250	DDDDDDMM 	C34H50N8O21S2	970.2532	NA	PeJP	NA	NA
+PJ107251	SCCCMMMY 	C36H58N8O11S6	970.255	NA	PeJP	NA	NA
+PJ107252	GCCCNNNDE 	C32H50N12O17S3	970.2579	NA	PeJP	NA	NA
+PJ107253	GGGCCCNNDE 	C32H50N12O17S3	970.258	NA	PeJP	NA	NA
+PJ107254	GSCCCCQMH 	C33H54N12O12S5	970.2588	NA	PeJP	NA	NA
+PJ107255	CCCDDEHF 	C37H50N10O15S3	970.262	NA	PeJP	NA	NA
+PJ107256	GPPCCCCCW 	C38H54N10O10S5	970.2628	NA	PeJP	NA	NA
+PJ107257	GSCNDDDDM 	C33H50N10O20S2	970.2645	NA	PeJP	NA	NA
+PJ107258	GPCCCNDEM 	C34H54N10O15S4	970.2653	NA	PeJP	NA	NA
+PJ107259	GGGPCCCDEM 	C34H54N10O15S4	970.2654	NA	PeJP	NA	NA
+PJ107260	CCCCEHHH 	C35H50N14O11S4	970.2667	NA	PeJP	NA	NA
+PJ107261	DDDDDDDF 	C37H46N8O23	970.2676	NA	PeJP	NA	NA
+PJ107262	GCCCEMYY 	C39H54N8O13S4	970.2694	NA	PeJP	NA	NA
+PJ107263	GSCCCCCHR 	C32H54N14O11S5	970.2701	NA	PeJP	NA	NA
+PJ107264	CDDDDDHH 	C35H46N12O19S	970.2723	NA	PeJP	NA	NA
+PJ107265	CCCNNNDW 	C36H50N12O14S3	970.2732	NA	PeJP	NA	NA
+PJ107266	SSCCNNNDD 	C32H50N12O19S2	970.2757	NA	PeJP	NA	NA
+PJ107267	GPCCCCDDR 	C33H54N12O14S4	970.2766	NA	PeJP	NA	NA
+PJ107268	SCCNDDEW 	C37H50N10O17S2	970.2797	NA	PeJP	NA	NA
+PJ107269	PCCCNDMW 	C38H54N10O12S4	970.2806	NA	PeJP	NA	NA
+PJ107270	SSSCNDDDE 	C33H50N10O22S	970.2822	NA	PeJP	NA	NA
+PJ107271	CNNDDEMM 	C34H54N10O17S3	970.2831	NA	PeJP	NA	NA
+PJ107272	SCCEMMMH 	C35H58N10O12S5	970.284	NA	PeJP	NA	NA
+PJ107273	CCCMYYW 	C43H54N8O10S4	970.2846	NA	PeJP	NA	NA
+PJ107274	PCDDDDEY 	C38H50N8O20S	970.2863	NA	PeJP	NA	NA
+PJ107275	SSCCDMYY 	C39H54N8O15S3	970.2871	NA	PeJP	NA	NA
+PJ107276	ACCCMMFY 	C40H58N8O10S5	970.288	NA	PeJP	NA	NA
+C11502	Mycothione	C34H58N4O24S2	970.2882	NA	KEGG	NA	NA
+MJ098914	2-(N-Acetylcysteinyl)amido-2-deoxy-?-D-glucopyranosyl-D-myo-inositol disulfide 	C34H58N4O24S2	970.28824	NA	MeJP	NA	NA
+MetaCyc04349	mycothione [mycothione;2-acetylamino-3-[2-acetylamino-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]-propanamide;MSSM;mycothiol disulfide;]	C34H58N4O24S2	970.28824	NA	metacyc	NA	NA
+PJ107277	SDDDEEMM 	C35H54N8O20S2	970.2896	NA	PeJP	NA	NA
+PJ107278	PCDDEMMM 	C36H58N8O15S4	970.2905	NA	PeJP	NA	NA
+PJ107279	CCCNNMHF 	C37H54N12O11S4	970.2918	NA	PeJP	NA	NA
+PJ107280	CCNDDDMR 	C33H54N12O16S3	970.2943	NA	PeJP	NA	NA
+PJ107281	GGGGGGGSCCEM 	C33H54N12O16S3	970.2944	NA	PeJP	NA	NA
+PJ107282	GSCCDDWW 	C41H50N10O14S2	970.295	NA	PeJP	NA	NA
+PJ107283	SPPCCCCCR 	C34H58N12O11S5	970.2952	NA	PeJP	NA	NA
+PJ107284	APCCCCWW 	C42H54N10O9S4	970.2959	NA	PeJP	NA	NA
+PJ107285	GSSSCDDDW 	C37H50N10O19S	970.2975	NA	PeJP	NA	NA
+PJ107286	ASSPCCCDW 	C38H54N10O14S3	970.2983	NA	PeJP	NA	NA
+PJ107287	GCNDDMMW 	C38H54N10O14S3	970.2984	NA	PeJP	NA	NA
+PJ107288	PCCCMMHF 	C39H58N10O9S5	970.2992	NA	PeJP	NA	NA
+PJ107289	GSSSSSDDDD 	C33H50N10O24	970.3	NA	PeJP	NA	NA
+PJ107290	ASSCNDDEM 	C34H54N10O19S2	970.3008	NA	PeJP	NA	NA
+PJ107291	GSSNDDDMM 	C34H54N10O19S2	970.3009	NA	PeJP	NA	NA
+PJ107292	GSPCCNEMM 	C35H58N10O14S4	970.3017	NA	PeJP	NA	NA
+PJ107293	CCNNDEHH 	C35H50N14O15S2	970.3022	NA	PeJP	NA	NA
+PJ107294	GPCCCYYY 	C43H54N8O12S3	970.3024	NA	PeJP	NA	NA
+PJ107295	GCMMMMMH 	C36H62N10O9S6	970.3026	NA	PeJP	NA	NA
+PJ107296	TCCCMHHH 	C36H54N14O10S4	970.3031	NA	PeJP	NA	NA
+PJ107297	GDDDEEEY 	C38H50N8O22	970.304	NA	PeJP	NA	NA
+PJ107298	PCDDDEMF 	C39H54N8O17S2	970.3049	NA	PeJP	NA	NA
+PJ107299	GSCCCNNDR 	C32H54N14O15S3	970.3056	NA	PeJP	NA	NA
+PJ107300	GTCCMMYY 	C40H58N8O12S4	970.3057	NA	PeJP	NA	NA
+PJ107301	GDEEEMMM 	C36H58N8O17S3	970.3083	NA	PeJP	NA	NA
+PJ107302	CNNNNDDY 	C36H50N12O18S	970.3087	NA	PeJP	NA	NA
+PJ107303	GCCCDERW 	C37H54N12O13S3	970.3096	NA	PeJP	NA	NA
+PJ107304	GSSCCDDER 	C33H54N12O18S2	970.3121	NA	PeJP	NA	NA
+PJ107305	GCNDDDFW 	C41H50N10O16S	970.3127	NA	PeJP	NA	NA
+PJ107306	GGGCDDDFW 	C41H50N10O16S	970.3128	NA	PeJP	NA	NA
+PJ107307	CNNNNMMM 	C34H58N12O13S4	970.3129	NA	PeJP	NA	NA
+PJ107308	GSPCCCDMR 	C34H58N12O13S4	970.313	NA	PeJP	NA	NA
+PJ107309	CCNEMWW 	C42H54N10O11S3	970.3136	NA	PeJP	NA	NA
+PJ107310	SNNDDDEY 	C37H50N10O21	970.3152	NA	PeJP	NA	NA
+PJ107311	GGGGSDDDEY 	C37H50N10O21	970.3153	NA	PeJP	NA	NA
+PJ107312	SSCNDEMW 	C38H54N10O16S2	970.3161	NA	PeJP	NA	NA
+PJ107313	SPCCNMMW 	C39H58N10O11S4	970.317	NA	PeJP	NA	NA
+PJ107314	GCCNDHHW 	C39H50N14O12S2	970.3175	NA	PeJP	NA	NA
+PJ107315	CCCFFYW 	C47H54N8O9S3	970.3176	NA	PeJP	NA	NA
+PJ107316	SSSSNDDEM 	C34H54N10O21S	970.3186	NA	PeJP	NA	NA
+PJ107317	DDDEEYW 	C42H50N8O19	970.3193	NA	PeJP	NA	NA
+PJ107318	SNNDEMMM 	C35H58N10O16S3	970.3195	NA	PeJP	NA	NA
+PJ107319	GSSCNDDHH 	C35H50N14O17S	970.32	NA	PeJP	NA	NA
+PJ107320	CNDMYYY 	C43H54N8O14S2	970.3201	NA	PeJP	NA	NA
+PJ107321	STCMMMMH 	C36H62N10O11S5	970.3203	NA	PeJP	NA	NA
+PJ107322	GGPCNMMMM 	C36H62N10O11S5	970.3204	NA	PeJP	NA	NA
+PJ107323	GSPCCCQHH 	C36H54N14O12S3	970.3208	NA	PeJP	NA	NA
+PJ107324	ACCCMFFF 	C44H58N8O9S4	970.321	NA	PeJP	NA	NA
+PJ107325	SPDDDEMY 	C39H54N8O19S	970.3226	NA	PeJP	NA	NA
+PJ107326	DEEMMMW 	C40H58N8O14S3	970.3235	NA	PeJP	NA	NA
+PJ107327	CCCNNQMR 	C33H58N14O12S4	970.3242	NA	PeJP	NA	NA
+PJ107328	CCCDRWW 	C41H54N12O10S3	970.3248	NA	PeJP	NA	NA
+PJ107329	SSEEEEMM 	C36H58N8O19S2	970.326	NA	PeJP	NA	NA
+PJ107330	GSPNDDDDH 	C36H50N12O20	970.3265	NA	PeJP	NA	NA
+PJ107331	SPDEMMMM 	C37H62N8O14S4	970.3269	NA	PeJP	NA	NA
+PJ107332	SSCCDDRW 	C37H54N12O15S2	970.3273	NA	PeJP	NA	NA
+PJ107333	GGGGGSSTCCW 	C37H54N12O15S2	970.3274	NA	PeJP	NA	NA
+PJ107334	PPCMMMMM 	C38H66N8O9S6	970.3277	NA	PeJP	NA	NA
+PJ107335	PTCCCCRW 	C38H58N12O10S4	970.3282	NA	PeJP	NA	NA
+PJ107336	GCCMWWW 	C46H54N10O8S3	970.3289	NA	PeJP	NA	NA
+PJ107337	SSSSCDDDR 	C33H54N12O20S	970.3298	NA	PeJP	NA	NA
+PJ107338	GGGGGSSSSSCE 	C33H54N12O20S	970.3299	NA	PeJP	NA	NA
+PJ107339	GSNDDDYW 	C41H50N10O18	970.3305	NA	PeJP	NA	NA
+PJ107340	SCNDDMMR 	C34H58N12O15S3	970.3307	NA	PeJP	NA	NA
+PJ107341	GSSCDMWW 	C42H54N10O13S2	970.3314	NA	PeJP	NA	NA
+PJ107342	PCCCQMMR 	C35H62N12O10S5	970.3316	NA	PeJP	NA	NA
+PJ107343	GSSSSDDMW 	C38H54N10O18S	970.3339	NA	PeJP	NA	NA
+PJ107344	GSNDMMMW 	C39H58N10O13S3	970.3347	NA	PeJP	NA	NA
+PJ107345	GGGGPCDMMF 	C39H58N10O13S3	970.3348	NA	PeJP	NA	NA
+PJ107346	ACCYYYW 	C47H54N8O11S2	970.3354	NA	PeJP	NA	NA
+PJ107347	GCCMHHHF 	C40H54N14O9S3	970.3361	NA	PeJP	NA	NA
+PJ107348	GSSSSSSDEE 	C34H54N10O23	970.3364	NA	PeJP	NA	NA
+PJ107349	GSSSNEEMM 	C35H58N10O18S2	970.3372	NA	PeJP	NA	NA
+PJ107350	NNNNDDEH 	C35H50N14O19	970.3377	NA	PeJP	NA	NA
+PJ107351	DDEEMFW 	C43H54N8O16S	970.3379	NA	PeJP	NA	NA
+PJ107352	GNQEMMMM 	C36H62N10O13S4	970.3381	NA	PeJP	NA	NA
+PJ107353	SCNNEMHH 	C36H54N14O14S2	970.3386	NA	PeJP	NA	NA
+PJ107354	CNMMFYY 	C44H58N8O11S3	970.3387	NA	PeJP	NA	NA
+PJ107355	GGCMMFYY 	C44H58N8O11S3	970.3388	NA	PeJP	NA	NA
+PJ107356	GSEEEEEY 	C39H54N8O21	970.3404	NA	PeJP	NA	NA
+PJ107357	GPDEEMMY 	C40H58N8O16S2	970.3413	NA	PeJP	NA	NA
+PJ107358	GDDDEHHF 	C40H50N12O17	970.3417	NA	PeJP	NA	NA
+PJ107359	GSSCCNNMR 	C33H58N14O14S3	970.3419	NA	PeJP	NA	NA
+PJ107360	SCCCDERR 	C33H58N14O14S3	970.342	NA	PeJP	NA	NA
+PJ107361	PPCDMMMF 	C41H62N8O11S4	970.3421	NA	PeJP	NA	NA
+PJ107362	GCCNNQFW 	C41H54N12O12S2	970.3426	NA	PeJP	NA	NA
+PJ107363	PCCCCMRR 	C34H62N14O9S5	970.3428	NA	PeJP	NA	NA
+PJ107364	ATEEEMMM 	C37H62N8O16S3	970.3446	NA	PeJP	NA	NA
+PJ107365	SSSSSCNNW 	C37H54N12O17S	970.3451	NA	PeJP	NA	NA
+PJ107366	APEMMMMM 	C38H66N8O11S5	970.3455	NA	PeJP	NA	NA
+PJ107367	GSCCEMRW 	C38H58N12O12S3	970.346	NA	PeJP	NA	NA
+PJ107368	ACDDHHHH 	C38H50N16O13S	970.3464	NA	PeJP	NA	NA
+PJ107369	GCDEHHHH 	C38H50N16O13S	970.3465	NA	PeJP	NA	NA
+PJ107370	STCCWWW 	C46H54N10O10S2	970.3466	NA	PeJP	NA	NA
+PJ107371	SSSSSSSNND 	C33H54N12O22	970.3476	NA	PeJP	NA	NA
+PJ107372	SSSTCCQQQ 	C34H58N12O17S2	970.3484	NA	PeJP	NA	NA
+PJ107373	GSSSCDEMR 	C34H58N12O17S2	970.3485	NA	PeJP	NA	NA
+PJ107374	SSSSCEWW 	C42H54N10O15S	970.3491	NA	PeJP	NA	NA
+PJ107375	GCNEMMMR 	C35H62N12O12S4	970.3493	NA	PeJP	NA	NA
+PJ107376	GGGCEMMMR 	C35H62N12O12S4	970.3494	NA	PeJP	NA	NA
+PJ107377	SCCNDHHR 	C35H54N16O13S2	970.3498	NA	PeJP	NA	NA
+PJ107378	SCQMMWW 	C43H58N10O10S3	970.35	NA	PeJP	NA	NA
+PJ107379	SSSSSSDEW 	C38H54N10O20	970.3516	NA	PeJP	NA	NA
+PJ107380	SSSNEMMW 	C39H58N10O15S2	970.3525	NA	PeJP	NA	NA
+PJ107381	GNNNDDHW 	C39H50N14O16	970.353	NA	PeJP	NA	NA
+PJ107382	SSCYYYW 	C47H54N8O13S	970.3531	NA	PeJP	NA	NA
+PJ107383	NQMMMMW 	C40H62N10O10S4	970.3533	NA	PeJP	NA	NA
+PJ107384	GGQMMMMW 	C40H62N10O10S4	970.3534	NA	PeJP	NA	NA
+PJ107385	GSCNMHHW 	C40H54N14O11S2	970.3538	NA	PeJP	NA	NA
+PJ107386	GGGGPCCHHF 	C40H54N14O11S2	970.3539	NA	PeJP	NA	NA
+PJ107387	SSSSSQEEM 	C35H58N10O20S	970.355	NA	PeJP	NA	NA
+PJ107388	SEEEEYW 	C43H54N8O18	970.3556	NA	PeJP	NA	NA
+PJ107389	GPDDEEFY 	C43H54N8O18	970.3557	NA	PeJP	NA	NA
+PJ107390	SSQQEMMM 	C36H62N10O15S3	970.3559	NA	PeJP	NA	NA
+PJ107391	PCNDDDHR 	C36H54N14O16S	970.3563	NA	PeJP	NA	NA
+PJ107392	GGPCDDDHR 	C36H54N14O16S	970.3564	NA	PeJP	NA	NA
+PJ107393	PDEMMYW 	C44H58N8O13S2	970.3565	NA	PeJP	NA	NA
+PJ107394	PCCQKMMM 	C37H66N10O10S5	970.3567	NA	PeJP	NA	NA
+PJ107395	DDDHHFW 	C44H50N12O14	970.357	NA	PeJP	NA	NA
+PJ107396	GNNMMMHH 	C37H58N14O11S3	970.3572	NA	PeJP	NA	NA
+PJ107397	AAEEEEMY 	C40H58N8O18S	970.359	NA	PeJP	NA	NA
+PJ107398	SSSSCCNQR 	C33H58N14O16S2	970.3597	NA	PeJP	NA	NA
+PJ107399	SPPDMMMY 	C41H62N8O13S3	970.3599	NA	PeJP	NA	NA
+PJ107400	GSCNNQYW 	C41H54N12O14S	970.3603	NA	PeJP	NA	NA
+PJ107401	CNDDRYW 	C41H54N12O14S	970.3604	NA	PeJP	NA	NA
+PJ107402	GCCDMMRR 	C34H62N14O11S4	970.3606	NA	PeJP	NA	NA
+PJ107403	SCCMRWW 	C42H58N12O9S3	970.3612	NA	PeJP	NA	NA
+PJ107404	CDHHHHW 	C42H50N16O10S	970.3617	NA	PeJP	NA	NA
+PJ107405	TTTEEEMM 	C37H62N8O18S2	970.3624	NA	PeJP	NA	NA
+PJ107406	GSSSNNNEY 	C37H54N12O19	970.3628	NA	PeJP	NA	NA
+PJ107407	SSNDDDRY 	C37H54N12O19	970.3629	NA	PeJP	NA	NA
+PJ107408	GLEEMMMM 	C38H66N8O13S4	970.3633	NA	PeJP	NA	NA
+PJ107409	SSSCDMRW 	C38H58N12O14S2	970.3637	NA	PeJP	NA	NA
+PJ107410	GGGGGGGGAMMY 	C38H58N12O14S2	970.3638	NA	PeJP	NA	NA
+PJ107411	SSDDHHHH 	C38H50N16O15	970.3642	NA	PeJP	NA	NA
+PJ107412	GNDMYWW 	C46H54N10O12S	970.3644	NA	PeJP	NA	NA
+PJ107413	CNMMMRW 	C39H62N12O9S4	970.3646	NA	PeJP	NA	NA
+PJ107414	PTCCHHHH 	C39H54N16O10S2	970.3651	NA	PeJP	NA	NA
+PJ107415	SSSSSDDMR 	C34H58N12O19S	970.3662	NA	PeJP	NA	NA
+PJ107416	GSSNEEYW 	C42H54N10O17	970.3669	NA	PeJP	NA	NA
+PJ107417	SSNDMMMR 	C35H62N12O14S3	970.3671	NA	PeJP	NA	NA
+PJ107418	NNNNNNMH 	C35H54N16O15S	970.3676	NA	PeJP	NA	NA
+PJ107419	GSSSMMWW 	C43H58N10O12S2	970.3677	NA	PeJP	NA	NA
+PJ107420	GGGPTCMYW 	C43H58N10O12S2	970.3678	NA	PeJP	NA	NA
+PJ107421	PCCCKMMR 	C36H66N12O9S5	970.368	NA	PeJP	NA	NA
+PJ107422	GCCQMHHR 	C36H58N16O10S3	970.3684	NA	PeJP	NA	NA
+PJ107423	GGACCMHHR 	C36H58N16O10S3	970.3685	NA	PeJP	NA	NA
+PJ107424	GSSSSTEMW 	C39H58N10O17S	970.3702	NA	PeJP	NA	NA
+PJ107425	DEEEMRY 	C39H58N10O17S	970.3703	NA	PeJP	NA	NA
+PJ107426	PDDEFYW 	C47H54N8O15	970.3709	NA	PeJP	NA	NA
+PJ107427	GSTQMMMW 	C40H62N10O12S3	970.3711	NA	PeJP	NA	NA
+PJ107428	SSSCQHHW 	C40H54N14O13S	970.3716	NA	PeJP	NA	NA
+PJ107429	CNMFFFY 	C48H58N8O10S2	970.3718	NA	PeJP	NA	NA
+PJ107430	GSSSSSTTEE 	C35H58N10O22	970.3727	NA	PeJP	NA	NA
+PJ107431	GSSSDKEMM 	C36H62N10O17S2	970.3736	NA	PeJP	NA	NA
+PJ107432	GNDDEEHR 	C36H54N14O18	970.3741	NA	PeJP	NA	NA
+PJ107433	VDEEMYW 	C44H58N8O15S	970.3743	NA	PeJP	NA	NA
+PJ107434	GNKEMMMM 	C37H66N10O12S4	970.3745	NA	PeJP	NA	NA
+PJ107435	ACCNNQRY 	C37H58N14O13S2	970.3749	NA	PeJP	NA	NA
+PJ107436	GCNNNMRY 	C37H58N14O13S2	970.375	NA	PeJP	NA	NA
+PJ107437	PEMMMFW 	C45H62N8O10S3	970.3751	NA	PeJP	NA	NA
+MJ098915	Chlorothricin; 2A?-Hydroxy 	C50H63ClO17	970.375378	NA	MeJP	NA	NA
+PJ107438	PCNEHWW 	C45H54N12O11S	970.3756	NA	PeJP	NA	NA
+PJ107439	ATTEEEEY 	C40H58N8O20	970.3768	NA	PeJP	NA	NA
+PJ107440	GSSSSSSCNR 	C33H58N14O18S	970.3775	NA	PeJP	NA	NA
+PJ107441	APTEEMMY 	C41H62N8O15S2	970.3776	NA	PeJP	NA	NA
+PJ107442	GVEEEMMF 	C41H62N8O15S2	970.3777	NA	PeJP	NA	NA
+PJ107443	SSSNNNYW 	C41H54N12O16	970.3781	NA	PeJP	NA	NA
+PJ107444	SSCCEMRR 	C34H62N14O13S3	970.3783	NA	PeJP	NA	NA
+PJ107445	LEMMMMW 	C42H66N8O10S4	970.3785	NA	PeJP	NA	NA
+PJ107446	GSPCCRYW 	C42H58N12O11S2	970.379	NA	PeJP	NA	NA
+PJ107447	CQYWWW 	C50H54N10O9S	970.3796	NA	PeJP	NA	NA
+PJ107448	GCCCHHRR 	C35H58N18O9S3	970.3797	NA	PeJP	NA	NA
+PJ107449	STLEEMMM 	C38H66N8O15S3	970.381	NA	PeJP	NA	NA
+PJ107450	GSNDEMRY 	C38H58N12O16S	970.3815	NA	PeJP	NA	NA
+PJ107451	SPLMMMMM 	C39H70N8O10S5	970.3819	NA	PeJP	NA	NA
+PJ107452	SSNEYWW 	C46H54N10O14	970.3821	NA	PeJP	NA	NA
+PJ107453	GGGGDEFFW 	C46H54N10O14	970.3822	NA	PeJP	NA	NA
+PJ107454	GSTCMMRW 	C39H62N12O11S3	970.3824	NA	PeJP	NA	NA
+PJ107455	GSEMHHHH 	C39H54N16O12S	970.3828	NA	PeJP	NA	NA
+PJ107456	GNMMFWW 	C47H58N10O9S2	970.383	NA	PeJP	NA	NA
+PJ107457	SSSSSSSSQQ 	C34H58N12O21	970.384	NA	PeJP	NA	NA
+PJ107458	SSSSCCLER 	C35H62N12O16S2	970.3848	NA	PeJP	NA	NA
+PJ107459	GSSSSEMMR 	C35H62N12O16S2	970.3849	NA	PeJP	NA	NA
+PJ107460	SNNNDDHR 	C35H54N16O17	970.3853	NA	PeJP	NA	NA
+PJ107461	GGGGGGSDDHR 	C35H54N16O17	970.3854	NA	PeJP	NA	NA
+PJ107462	SSSSTMWW 	C43H58N10O14S	970.3855	NA	PeJP	NA	NA
+PJ107463	GSQMMMMR 	C36H66N12O11S4	970.3857	NA	PeJP	NA	NA
+PJ107464	NYYYYW 	C51H54N8O12	970.3861	NA	PeJP	NA	NA
+PJ107465	SSCNMHHR 	C36H58N16O12S2	970.3862	NA	PeJP	NA	NA
+PJ107466	SCKMMWW 	C44H62N10O9S3	970.3864	NA	PeJP	NA	NA
+PJ107467	CNQHHFW 	C44H54N14O10S	970.3868	NA	PeJP	NA	NA
+PJ107468	GGCQHHFW 	C44H54N14O10S	970.3869	NA	PeJP	NA	NA
+PJ107469	SSSSSTTEW 	C39H58N10O19	970.388	NA	PeJP	NA	NA
+PJ107470	SSSDKMMW 	C40H62N10O14S2	970.3889	NA	PeJP	NA	NA
+PJ107471	GSSSSSHHW 	C40H54N14O15	970.3893	NA	PeJP	NA	NA
+PJ107472	NDDEHRW 	C40H54N14O15	970.3894	NA	PeJP	NA	NA
+PJ107473	PPDMYYW 	C48H58N8O12S	970.3895	NA	PeJP	NA	NA
+PJ107474	NKMMMMW 	C41H66N10O9S4	970.3897	NA	PeJP	NA	NA
+PJ107475	GGKMMMMW 	C41H66N10O9S4	970.3898	NA	PeJP	NA	NA
+PJ107476	GTCCKHHW 	C41H58N14O10S2	970.3902	NA	PeJP	NA	NA
+PJ107477	GPCHWWW 	C49H54N12O8S	970.3909	NA	PeJP	NA	NA
+PJ107478	SSSSSKEEM 	C36H62N10O19S	970.3914	NA	PeJP	NA	NA
+PJ107479	SSSTTYYY 	C44H58N8O17	970.392	NA	PeJP	NA	NA
+PJ107480	SSQKEMMM 	C37H66N10O14S3	970.3922	NA	PeJP	NA	NA
+PJ107481	GGSTKEMMM 	C37H66N10O14S3	970.3923	NA	PeJP	NA	NA
+PJ107482	GSCDDRRY 	C37H58N14O15S	970.3927	NA	PeJP	NA	NA
+PJ107483	GGGGGGGGVEMH 	C37H58N14O15S	970.3928	NA	PeJP	NA	NA
+PJ107484	VEEMMFW 	C45H62N8O12S2	970.3929	NA	PeJP	NA	NA
+PJ107485	PCCKKMMM 	C38H70N10O9S5	970.3931	NA	PeJP	NA	NA
+PJ107486	GQEEHWW 	C45H54N12O13	970.3934	NA	PeJP	NA	NA
+PJ107487	APCCCRRY 	C38H62N14O10S3	970.3936	NA	PeJP	NA	NA
+PJ107488	ACCFRWW 	C46H58N12O8S2	970.3942	NA	PeJP	NA	NA
+PJ107489	GTLEEEMY 	C41H62N8O17S	970.3954	NA	PeJP	NA	NA
+PJ107490	SSSSCCNKR 	C34H62N14O15S2	970.3961	NA	PeJP	NA	NA
+PJ107491	GPLEMMMY 	C42H66N8O12S3	970.3963	NA	PeJP	NA	NA
+PJ107492	SNDMRYW 	C42H58N12O13S	970.3967	NA	PeJP	NA	NA
+PJ107493	GGGGGSCKYW 	C42H58N12O13S	970.3968	NA	PeJP	NA	NA
+PJ107494	GSCMMMRR 	C35H66N14O10S4	970.397	NA	PeJP	NA	NA
+PJ107495	GSSYWWW 	C50H54N10O11	970.3974	NA	PeJP	NA	NA
+PJ107496	VMMMHHW 	C43H62N12O8S3	970.3976	NA	PeJP	NA	NA
+PJ107497	SMHHHHW 	C43H54N16O9S	970.3981	NA	PeJP	NA	NA
+PJ107498	SSSNEERY 	C38H58N12O18	970.3992	NA	PeJP	NA	NA
+PJ107499	GGGGGSSSDKY 	C38H58N12O18	970.3993	NA	PeJP	NA	NA
+PJ107500	SVLEMMMM 	C39H70N8O12S4	970.3996	NA	PeJP	NA	NA
+PJ107501	SSSSMMRW 	C39H62N12O13S2	970.4001	NA	PeJP	NA	NA
+PJ107502	SSTEHHHH 	C39H54N16O14	970.4006	NA	PeJP	NA	NA
+PJ107503	ASQMYWW 	C47H58N10O11S	970.4007	NA	PeJP	NA	NA
+PJ107504	GTQMYWW 	C47H58N10O11S	970.4008	NA	PeJP	NA	NA
+PJ107505	AAMMHHHH 	C40H58N16O9S2	970.4015	NA	PeJP	NA	NA
+PJ107506	SSSSSTEMR 	C35H62N12O18S	970.4026	NA	PeJP	NA	NA
+PJ107507	ASSSSSPYW 	C43H58N10O16	970.4032	NA	PeJP	NA	NA
+PJ107508	GSSDKEYW 	C43H58N10O16	970.4033	NA	PeJP	NA	NA
+PJ107509	SSTQMMMR 	C36H66N12O13S3	970.4035	NA	PeJP	NA	NA
+PJ107510	ASSSSCHHR 	C36H58N16O14S	970.4039	NA	PeJP	NA	NA
+PJ107511	GSSSTCHHR 	C36H58N16O14S	970.404	NA	PeJP	NA	NA
+PJ107512	VNQMMYW 	C44H62N10O11S2	970.4041	NA	PeJP	NA	NA
+PJ107513	GGGGAPMMFF 	C44H62N10O11S2	970.4042	NA	PeJP	NA	NA
+PJ107514	GDDHRWW 	C44H54N14O12	970.4046	NA	PeJP	NA	NA
+PJ107515	PPCCCHRR 	C37H62N16O9S3	970.4048	NA	PeJP	NA	NA
+PJ107516	SSSSSSLMW 	C40H62N10O16S	970.4066	NA	PeJP	NA	NA
+PJ107517	GGGPPPTEEM 	C40H62N10O16S	970.4067	NA	PeJP	NA	NA
+PJ107518	PVDEYYW 	C48H58N8O14	970.4073	NA	PeJP	NA	NA
+PJ107519	GSTKMMMW 	C41H66N10O11S3	970.4075	NA	PeJP	NA	NA
+PJ107520	GSPCEHRW 	C41H58N14O12S	970.408	NA	PeJP	NA	NA
+PJ107521	PPMMFYW 	C49H62N8O9S2	970.4082	NA	PeJP	NA	NA
+PJ107522	QEHWWW 	C49H54N12O10	970.4086	NA	PeJP	NA	NA
+PJ107523	SSSSSSSTLE 	C36H62N10O21	970.4091	NA	PeJP	NA	NA
+PJ107524	GSSTTKEMM 	C37H66N10O16S2	970.41	NA	PeJP	NA	NA
+PJ107525	GSSSSNNRY 	C37H58N14O17	970.4105	NA	PeJP	NA	NA
+PJ107526	TLEEMYW 	C45H62N8O14S	970.4107	NA	PeJP	NA	NA
+PJ107527	GDKKMMMM 	C38H70N10O11S4	970.4109	NA	PeJP	NA	NA
+PJ107528	CNEMRRY 	C38H62N14O12S2	970.4113	NA	PeJP	NA	NA
+PJ107529	GGCEMRRY 	C38H62N14O12S2	970.4114	NA	PeJP	NA	NA
+PJ107530	PLMMMYW 	C46H66N8O9S3	970.4115	NA	PeJP	NA	NA
+PJ107531	GNNQQHHH 	C38H54N18O13	970.4118	NA	PeJP	NA	NA
+PJ107532	GGGGGGGAAHHH 	C38H54N18O13	970.4119	NA	PeJP	NA	NA
+PJ107533	GTCRYWW 	C46H58N12O10S	970.412	NA	PeJP	NA	NA
+PJ107534	STTLEEEY 	C41H62N8O19	970.4132	NA	PeJP	NA	NA
+PJ107535	GVLEEMMY 	C42H66N8O14S2	970.414	NA	PeJP	NA	NA
+PJ107536	GSSSERYW 	C42H58N12O15	970.4145	NA	PeJP	NA	NA
+PJ107537	SSTCMMRR 	C35H66N14O12S3	970.4147	NA	PeJP	NA	NA
+PJ107538	APLMMMMF 	C43H70N8O9S4	970.4149	NA	PeJP	NA	NA
+PJ107539	GCNNDHRR 	C35H58N18O13S	970.4152	NA	PeJP	NA	NA
+PJ107540	GQMMRYW 	C43H62N12O10S2	970.4154	NA	PeJP	NA	NA
+PJ107541	GSPNHHHW 	C43H54N16O11	970.4158	NA	PeJP	NA	NA
+PJ107542	GGGSPHHHW 	C43H54N16O11	970.4159	NA	PeJP	NA	NA
+PJ107543	CKYWWW 	C51H58N10O8S	970.416	NA	PeJP	NA	NA
+PJ107544	GSTQEMRY 	C39H62N12O15S	970.4179	NA	PeJP	NA	NA
+PJ107545	ALLMMMMM 	C40H74N8O9S5	970.4183	NA	PeJP	NA	NA
+PJ107546	SSDKYWW 	C47H58N10O13	970.4185	NA	PeJP	NA	NA
+PJ107547	APCCKMRY 	C40H66N12O10S3	970.4187	NA	PeJP	NA	NA
+PJ107548	GGAAMMMFR 	C40H66N12O10S3	970.4188	NA	PeJP	NA	NA
+PJ107549	NNNMHRW 	C40H58N16O11S	970.4192	NA	PeJP	NA	NA
+PJ107550	ACKMFWW 	C48H62N10O8S2	970.4194	NA	PeJP	NA	NA
+PJ107551	SSSSSSSSQK 	C35H62N12O20	970.4204	NA	PeJP	NA	NA
+PJ107552	GSSTTTMMR 	C36H66N12O15S2	970.4212	NA	PeJP	NA	NA
+PJ107553	GSDDEHRR 	C36H58N16O16	970.4217	NA	PeJP	NA	NA
+PJ107554	GGGGGGGGGAPDR 	C36H58N16O16	970.4218	NA	PeJP	NA	NA
+PJ107555	SQKEMYW 	C44H62N10O13S	970.4219	NA	PeJP	NA	NA
+PJ107556	GSKMMMMR 	C37H70N12O10S4	970.4221	NA	PeJP	NA	NA
+PJ107557	PPDFFYW 	C52H58N8O11	970.4225	NA	PeJP	NA	NA
+PJ107558	CCDRRRY 	C37H62N16O11S2	970.4226	NA	PeJP	NA	NA
+PJ107559	KMMMHFF 	C45H66N10O8S3	970.4228	NA	PeJP	NA	NA
+PJ107560	SPCHRWW 	C45H58N14O9S	970.4232	NA	PeJP	NA	NA
+PJ107561	AHWWWW 	C53H54N12O7	970.4239	NA	PeJP	NA	NA
+PJ107562	SSSTTTTTW 	C40H62N10O18	970.4244	NA	PeJP	NA	NA
+PJ107563	SSTTKMMW 	C41H66N10O13S2	970.4253	NA	PeJP	NA	NA
+PJ107564	SQEEHRW 	C41H58N14O14	970.4257	NA	PeJP	NA	NA
+PJ107565	GGGGGSKEHW 	C41H58N14O14	970.4258	NA	PeJP	NA	NA
+PJ107566	PVEMFYW 	C49H62N8O11S	970.4259	NA	PeJP	NA	NA
+PJ107567	GCMRRYW 	C42H62N14O9S2	970.4266	NA	PeJP	NA	NA
+PJ107568	STTTTTTQM 	C37H66N10O18S	970.4277	NA	PeJP	NA	NA
+PJ107569	SSSTTTKEM 	C37H66N10O18S	970.4278	NA	PeJP	NA	NA
+PJ107570	GPTLEEYY 	C45H62N8O16	970.4284	NA	PeJP	NA	NA
+PJ107571	SSKKEMMM 	C38H70N10O13S3	970.4286	NA	PeJP	NA	NA
+PJ107572	GSSDMRRY 	C38H62N14O14S	970.4291	NA	PeJP	NA	NA
+PJ107573	VLEMMYW 	C46H66N8O11S2	970.4293	NA	PeJP	NA	NA
+PJ107574	SSSRYWW 	C46H58N12O12	970.4297	NA	PeJP	NA	NA
+PJ107575	PPDDRWW 	C46H58N12O12	970.4298	NA	PeJP	NA	NA
+PJ107576	CQMMFRR 	C39H66N14O9S3	970.43	NA	PeJP	NA	NA
+PJ107577	GPCQHHHR 	C39H58N18O10S	970.4305	NA	PeJP	NA	NA
+PJ107578	AHHHHFW 	C47H54N16O8	970.4311	NA	PeJP	NA	NA
+PJ107579	SSLLEEMY 	C42H66N8O16S	970.4318	NA	PeJP	NA	NA
+PJ107580	SPVLMMMY 	C43H70N8O11S3	970.4327	NA	PeJP	NA	NA
+PJ107581	STQMRYW 	C43H62N12O12S	970.4331	NA	PeJP	NA	NA
+PJ107582	GGGGGGPPVMW 	C43H62N12O12S	970.4332	NA	PeJP	NA	NA
+PJ107583	CCCCKKKR 	C36H70N14O9S4	970.4333	NA	PeJP	NA	NA
+PJ107584	APPEWWW 	C51H58N10O10	970.4338	NA	PeJP	NA	NA
+PJ107585	SSSDKERY 	C39H62N12O17	970.4356	NA	PeJP	NA	NA
+PJ107586	GGGGGGAAPLEE 	C39H62N12O17	970.4357	NA	PeJP	NA	NA
+PJ107587	TTLLMMMM 	C40H74N8O11S4	970.436	NA	PeJP	NA	NA
+PJ107588	NKEMMRY 	C40H66N12O12S2	970.4365	NA	PeJP	NA	NA
+PJ107589	SDDHRRW 	C40H58N16O13	970.437	NA	PeJP	NA	NA
+PJ107590	GTKMYWW 	C48H62N10O10S	970.4371	NA	PeJP	NA	NA
+PJ107591	GPPPTMWW 	C48H62N10O10S	970.4372	NA	PeJP	NA	NA
+PJ107592	SSSTTTTMR 	C36H66N12O17S	970.439	NA	PeJP	NA	NA
+PJ107593	GSTTKEYW 	C44H62N10O15	970.4396	NA	PeJP	NA	NA
+PJ107594	GPPKEEEW 	C44H62N10O15	970.4397	NA	PeJP	NA	NA
+PJ107595	SSTKMMMR 	C37H70N12O12S3	970.4399	NA	PeJP	NA	NA
+PJ107596	NEEMHRR 	C37H62N16O13S	970.4403	NA	PeJP	NA	NA
+PJ107597	GGEEMHRR 	C37H62N16O13S	970.4404	NA	PeJP	NA	NA
+PJ107598	VNKMMYW 	C45H66N10O10S2	970.4405	NA	PeJP	NA	NA
+PJ107599	GTEHRWW 	C45H58N14O11	970.441	NA	PeJP	NA	NA
+PJ107600	PPMFFFW 	C53H62N8O8S	970.4412	NA	PeJP	NA	NA
+PJ107601	GSKKEEMY 	C41H66N10O15S	970.443	NA	PeJP	NA	NA
+PJ107602	PTLEYYW 	C49H62N8O13	970.4437	NA	PeJP	NA	NA
+PJ107603	APCKKMMY 	C42H70N10O10S3	970.4439	NA	PeJP	NA	NA
+PJ107604	STCRRYW 	C42H62N14O11S	970.4443	NA	PeJP	NA	NA
+PJ107605	VNEMHRW 	C42H62N14O11S	970.4444	NA	PeJP	NA	NA
+PJ107606	PLMMFFW 	C50H66N8O8S2	970.4445	NA	PeJP	NA	NA
+PJ107607	KEHWWW 	C50H58N12O9	970.445	NA	PeJP	NA	NA
+PJ107608	SSSSSTTTTL 	C37H66N10O20	970.4455	NA	PeJP	NA	NA
+PJ107609	SSSSTLKMM 	C38H70N10O15S2	970.4464	NA	PeJP	NA	NA
+PJ107610	TTTQQQQH 	C38H62N14O16	970.4468	NA	PeJP	NA	NA
+PJ107611	SSSSERRY 	C38H62N14O16	970.4469	NA	PeJP	NA	NA
+PJ107612	GPVLEMYY 	C46H66N8O13S	970.447	NA	PeJP	NA	NA
+PJ107613	GVLEEMFF 	C46H66N8O13S	970.4471	NA	PeJP	NA	NA
+PJ107614	ATKKMMMM 	C39H74N10O10S4	970.4473	NA	PeJP	NA	NA
+PJ107615	SQMMRRY 	C39H66N14O11S2	970.4477	NA	PeJP	NA	NA
+PJ107616	GGGPPPCCKR 	C39H66N14O11S2	970.4478	NA	PeJP	NA	NA
+PJ107617	LLMMMFW 	C47H70N8O8S3	970.4479	NA	PeJP	NA	NA
+PJ107618	QQEHHHR 	C39H58N18O12	970.4482	NA	PeJP	NA	NA
+PJ107619	SPKMHWW 	C47H62N12O9S	970.4484	NA	PeJP	NA	NA
+PJ107620	ATLLEMMY 	C43H70N8O13S2	970.4504	NA	PeJP	NA	NA
+PJ107621	GSTTTRYW 	C43H62N12O14	970.4509	NA	PeJP	NA	NA
+PJ107622	CDEHRRR 	C36H62N18O12S	970.4516	NA	PeJP	NA	NA
+PJ107623	GKMMRYW 	C44H66N12O9S2	970.4518	NA	PeJP	NA	NA
+PJ107624	VQQHHHW 	C44H58N16O10	970.4522	NA	PeJP	NA	NA
+PJ107625	ASSKEMRY 	C40H66N12O14S	970.4542	NA	PeJP	NA	NA
+PJ107626	GSTKEMRY 	C40H66N12O14S	970.4543	NA	PeJP	NA	NA
+PJ107627	STTKYWW 	C48H62N10O12	970.4549	NA	PeJP	NA	NA
+PJ107628	QKMMMFR 	C41H70N12O9S3	970.4551	NA	PeJP	NA	NA
+PJ107629	GEMHRRW 	C41H62N16O10S	970.4556	NA	PeJP	NA	NA
+PJ107630	THRWWW 	C49H58N14O8	970.4562	NA	PeJP	NA	NA
+PJ107631	SSSSSSSSKK 	C36H66N12O19	970.4567	NA	PeJP	NA	NA
+PJ107632	SSSTCCKKK 	C37H70N12O14S2	970.4576	NA	PeJP	NA	NA
+PJ107633	GSTEEHRR 	C37H62N16O15	970.4581	NA	PeJP	NA	NA
+PJ107634	SKKEMYW 	C45H66N10O12S	970.4583	NA	PeJP	NA	NA
+HMDB10032	PIP2(16:0/16:0)	C41H81O19P3	970.458496	NA	HMDB2010	NA	NA
+PJ107635	CCCKKKKM 	C38H74N12O9S4	970.4585	NA	PeJP	NA	NA
+PJ107636	PPVFYYW 	C53H62N8O10	970.4589	NA	PeJP	NA	NA
+PJ107637	SCMRRRY 	C38H66N16O10S2	970.459	NA	PeJP	NA	NA
+PJ107638	NDHHHRR 	C38H58N20O11	970.4594	NA	PeJP	NA	NA
+PJ107639	GGDHHHRR 	C38H58N20O11	970.4595	NA	PeJP	NA	NA
+PJ107640	GVMHRWW 	C46H62N14O8S	970.4596	NA	PeJP	NA	NA
+PJ107641	SSTKKEEY 	C41H66N10O17	970.4608	NA	PeJP	NA	NA
+PJ107642	SSPKKMMY 	C42H70N10O12S2	970.4616	NA	PeJP	NA	NA
+PJ107643	AAKKEMMY 	C42H70N10O12S2	970.4617	NA	PeJP	NA	NA
+MJ098916	3,16,17-Kauranetriol, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside], 16-O-?-D-glucopyranoside 	C44H74O23	970.462088	NA	MeJP	NA	NA
+PJ107644	SKEEHRW 	C42H62N14O13	970.4621	NA	PeJP	NA	NA
+PJ107645	GGGGGGGAAPKW 	C42H62N14O13	970.4622	NA	PeJP	NA	NA
+PJ107646	PVLMYYW 	C50H66N8O10S	970.4623	NA	PeJP	NA	NA
+PJ107647	LMMHHFR 	C43H66N14O8S2	970.463	NA	PeJP	NA	NA
+PJ107648	AQHHHRW 	C43H58N18O9	970.4635	NA	PeJP	NA	NA
+PJ107649	STTTTTTKM 	C38H70N10O17S	970.4641	NA	PeJP	NA	NA
+PJ107650	AALLEEYY 	C46H66N8O15	970.4648	NA	PeJP	NA	NA
+PJ107651	TTTKKMMM 	C39H74N10O12S3	970.465	NA	PeJP	NA	NA
+PJ107652	GSTTMRRY 	C39H66N14O13S	970.4655	NA	PeJP	NA	NA
+PJ107653	GPLLMMFY 	C47H70N8O10S2	970.4657	NA	PeJP	NA	NA
+PJ107654	PPTERWW 	C47H62N12O11	970.4661	NA	PeJP	NA	NA
+PJ107655	AAAAAPQWW 	C47H62N12O11	970.4662	NA	PeJP	NA	NA
+PJ107656	CKMMFRR 	C40H70N14O8S3	970.4664	NA	PeJP	NA	NA
+PJ107657	GPCKHHHR 	C40H62N18O9S	970.4668	NA	PeJP	NA	NA
+PJ107658	TTTLLEMY 	C43H70N8O15S	970.4682	NA	PeJP	NA	NA
+PJ107659	GLLLMMMY 	C44H74N8O10S3	970.469	NA	PeJP	NA	NA
+PJ107660	SSSNQHRR 	C36H62N18O14	970.4693	NA	PeJP	NA	NA
+PJ107661	GGGGGGSPNRR 	C36H62N18O14	970.4694	NA	PeJP	NA	NA
+PJ107662	STKMRYW 	C44H66N12O11S	970.4695	NA	PeJP	NA	NA
+PJ107663	SPPLWWW 	C52H62N10O9	970.4702	NA	PeJP	NA	NA
+PJ107664	MHRRWW 	C45H62N16O7S	970.4709	NA	PeJP	NA	NA
+PJ107665	SSTTKERY 	C40H66N12O16	970.472	NA	PeJP	NA	NA
+PJ107666	DKKMMRY 	C41H70N12O11S2	970.4729	NA	PeJP	NA	NA
+PJ107667	QQQQHFR 	C41H62N16O12	970.4733	NA	PeJP	NA	NA
+PJ107668	STEHRRW 	C41H62N16O12	970.4734	NA	PeJP	NA	NA
+PJ107669	AAPPLMWW 	C49H66N10O9S	970.4735	NA	PeJP	NA	NA
+PJ107670	SSSTLKYW 	C45H66N10O14	970.476	NA	PeJP	NA	NA
+PJ107671	AAAPVVEEW 	C45H66N10O14	970.4761	NA	PeJP	NA	NA
+PJ107672	DKEMHRR 	C38H66N16O12S	970.4767	NA	PeJP	NA	NA
+PJ107673	CLKKMYW 	C46H70N10O9S2	970.4769	NA	PeJP	NA	NA
+MJ098917	1,22-Dihydroxy-3,4-seco-4(23),20(29)-lupadien-3,11-olid-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098918	12-Oleanene-3,22,24,30-tetrol, 30-Carboxylic acid, 22-ketone, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098919	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098920	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-D-glucuronopyranoside], Me ester 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098921	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-[?-D-galactopyranosyl-(1?2)]-?-D-glucuronopyranoside] 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098922	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-?-D-glucopyranosyl ester, 30-Me ester 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098923	3-Hydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-galactopyranosyl ester 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098924	Gitaloxigenin; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098925	Glaucogenin A; 3-O-[?-D-Glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-L-cymaropyranoside] 	C48H74O20	970.477344	NA	MeJP	NA	NA
+MJ098926	Glaucogenin C; 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] 	C48H74O20	970.477344	NA	MeJP	NA	NA
+PJ107674	SSLHRWW 	C46H62N14O10	970.4774	NA	PeJP	NA	NA
+PJ107675	ATTKKEMY 	C42H70N10O14S	970.4794	NA	PeJP	NA	NA
+PJ107676	VVLEYYW 	C50H66N8O12	970.48	NA	PeJP	NA	NA
+PJ107677	TLLEFYW 	C50H66N8O12	970.4801	NA	PeJP	NA	NA
+PJ107678	GVKKMMMF 	C43H74N10O9S3	970.4803	NA	PeJP	NA	NA
+PJ107679	TLQMHRW 	C43H66N14O10S	970.4807	NA	PeJP	NA	NA
+PJ107680	PPEMRRW 	C43H66N14O10S	970.4808	NA	PeJP	NA	NA
+PJ107681	APKHFWW 	C51H62N12O8	970.4814	NA	PeJP	NA	NA
+PJ107682	SSTTTRRY 	C39H66N14O15	970.4832	NA	PeJP	NA	NA
+PJ107683	GPVEEERR 	C39H66N14O15	970.4833	NA	PeJP	NA	NA
+PJ107684	APTLLMYY 	C47H70N8O12S	970.4834	NA	PeJP	NA	NA
+PJ107685	SKMMRRY 	C40H70N14O10S2	970.4841	NA	PeJP	NA	NA
+PJ107686	NNQHFRR 	C40H62N18O11	970.4846	NA	PeJP	NA	NA
+PJ107687	PPVMRWW 	C48H66N12O8S	970.4848	NA	PeJP	NA	NA
+PJ107688	PLLLEEEE 	C43H70N8O17	970.4859	NA	PeJP	NA	NA
+PJ107689	STLLLMMY 	C44H74N8O12S2	970.4868	NA	PeJP	NA	NA
+PJ107690	NQQKKYY 	C44H66N12O13	970.4872	NA	PeJP	NA	NA
+PJ107691	AAPLEERW 	C44H66N12O13	970.4873	NA	PeJP	NA	NA
+PJ107692	SEMHRRR 	C37H66N18O11S	970.488	NA	PeJP	NA	NA
+PJ107693	GPNRRWW 	C45H62N16O9	970.4886	NA	PeJP	NA	NA
+PJ107694	SSSLKMRY 	C41H70N12O13S	970.4906	NA	PeJP	NA	NA
+PJ107695	PPVDKEMR 	C41H70N12O13S	970.4907	NA	PeJP	NA	NA
+PJ107696	PLLQEWW 	C49H66N10O11	970.4913	NA	PeJP	NA	NA
+PJ107697	KKMMMFR 	C42H74N12O8S3	970.4915	NA	PeJP	NA	NA
+PJ107698	SVMHRRW 	C42H66N16O9S	970.492	NA	PeJP	NA	NA
+PJ107699	PEEERRR 	C38H66N16O14	970.4945	NA	PeJP	NA	NA
+PJ107700	APPLKEMW 	C46H70N10O11S	970.4947	NA	PeJP	NA	NA
+PJ107701	PVLFFYW 	C54H66N8O9	970.4953	NA	PeJP	NA	NA
+PJ107702	LQMMHRR 	C39H70N16O9S2	970.4954	NA	PeJP	NA	NA
+PJ107703	TQHHHRR 	C39H62N20O10	970.4958	NA	PeJP	NA	NA
+PJ107704	GSTTTTLKY 	C42H70N10O16	970.4971	NA	PeJP	NA	NA
+PJ107705	TTTTKKEY 	C42H70N10O16	970.4972	NA	PeJP	NA	NA
+PJ107706	GTLKKMMY 	C43H74N10O11S2	970.498	NA	PeJP	NA	NA
+PJ107707	GGGPPVLLMM 	C43H74N10O11S2	970.4981	NA	PeJP	NA	NA
+PJ107708	PVEERRW 	C43H66N14O12	970.4985	NA	PeJP	NA	NA
+PJ107709	VLLMFYW 	C51H70N8O9S	970.4987	NA	PeJP	NA	NA
+PJ107710	AKHHHRW 	C44H62N18O8	970.4998	NA	PeJP	NA	NA
+PJ107711	GTLLLEYY 	C47H70N8O14	970.5012	NA	PeJP	NA	NA
+PJ107712	SPPVEMRR 	C40H70N14O12S	970.5019	NA	PeJP	NA	NA
+PJ107713	GLLLMMFF 	C48H74N8O9S2	970.5021	NA	PeJP	NA	NA
+PJ107714	PVVERWW 	C48H66N12O10	970.5025	NA	PeJP	NA	NA
+PJ107715	PCHFRRR 	C41H66N18O8S	970.5032	NA	PeJP	NA	NA
+PJ107716	GSPNERRR 	C37H66N18O13	970.5057	NA	PeJP	NA	NA
+PJ107717	GGGGGGGGALRR 	C37H66N18O13	970.5058	NA	PeJP	NA	NA
+PJ107718	APPTLMRW 	C45H70N12O10S	970.5059	NA	PeJP	NA	NA
+PJ107719	VKHFFFF 	C53H66N10O8	970.5065	NA	PeJP	NA	NA
+PJ107720	APLLWWW 	C53H66N10O8	970.5066	NA	PeJP	NA	NA
+PJ107721	TTTTTKRY 	C41H70N12O15	970.5084	NA	PeJP	NA	NA
+PJ107722	ACCKKKKY 	C42H74N12O10S2	970.5093	NA	PeJP	NA	NA
+PJ107723	PNDKRRW 	C42H66N16O11	970.5097	NA	PeJP	NA	NA
+PJ107724	GGPDKRRW 	C42H66N16O11	970.5098	NA	PeJP	NA	NA
+PJ107725	CLKKFFW 	C50H70N10O8S	970.5099	NA	PeJP	NA	NA
+PJ107726	GPLLKEEW 	C46H70N10O13	970.5124	NA	PeJP	NA	NA
+PJ107727	GTTLMHRR 	C39H70N16O11S	970.5131	NA	PeJP	NA	NA
+MJ098927	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 21?-Alcohol, 11-Me ether, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098928	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 3?-Alcohol, 11-Me ether, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098929	17,22,24-Trihydroxy-28-hopanoic acid; 17?-form, 28?22 Lactone, 24-O-[?-L-5-O-acetylarabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098930	3,19-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098931	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098932	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 30-Me ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098933	Hederagenin bisdesmosides; Triglycosides, 3-O-(2-O-Acetyl-?-L-arabinopyranoside), 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098934	Hederagenin bisdesmosides; Triglycosides, 3-O-(4-O-Acetyl-?-L-arabinopyranoside), 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+MJ098935	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?3)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C49H78O19	970.51373	NA	MeJP	NA	NA
+PJ107728	APQKRWW 	C47H66N14O9	970.5138	NA	PeJP	NA	NA
+PJ107729	STTLKKMY 	C43H74N10O13S	970.5158	NA	PeJP	NA	NA
+PJ107730	TLLLYYW 	C51H70N8O11	970.5164	NA	PeJP	NA	NA
+PJ107731	GVLLEFFF 	C51H70N8O11	970.5165	NA	PeJP	NA	NA
+PJ107732	NNQQRRR 	C36H66N20O12	970.5169	NA	PeJP	NA	NA
+PJ107733	GGNQQRRR 	C36H66N20O12	970.517	NA	PeJP	NA	NA
+PJ107734	TLKMHRW 	C44H70N14O9S	970.5171	NA	PeJP	NA	NA
+PJ107735	APTLEERR 	C40H70N14O14	970.5196	NA	PeJP	NA	NA
+PJ107736	GGAPKKEER 	C40H70N14O14	970.5197	NA	PeJP	NA	NA
+PJ107737	GVLLLMYY 	C48H74N8O11S	970.5198	NA	PeJP	NA	NA
+PJ107738	APPLMMRR 	C41H74N14O9S2	970.5205	NA	PeJP	NA	NA
+PJ107739	SPNRRRW 	C41H66N18O10	970.521	NA	PeJP	NA	NA
+PJ107740	SPPTQKKW 	C45H70N12O12	970.5236	NA	PeJP	NA	NA
+PJ107741	GPTLLERW 	C45H70N12O12	970.5237	NA	PeJP	NA	NA
+PJ107742	PQQMRRR 	C38H70N18O10S	970.5243	NA	PeJP	NA	NA
+PJ107743	GAPQMRRR 	C38H70N18O10S	970.5244	NA	PeJP	NA	NA
+PJ107744	GLHFRRW 	C46H66N16O8	970.525	NA	PeJP	NA	NA
+PJ107745	SSCKKKKY 	C42H74N12O12S	970.527	NA	PeJP	NA	NA
+PJ107746	GGGGAAPLLKM 	C42H74N12O12S	970.5271	NA	PeJP	NA	NA
+PJ107747	PLLKEWW 	C50H70N10O10	970.5277	NA	PeJP	NA	NA
+PJ107748	PKMHFRR 	C43H70N16O8S	970.5284	NA	PeJP	NA	NA
+PJ107749	STTTLHRR 	C39H70N16O13	970.5309	NA	PeJP	NA	NA
+PJ107750	LLLMRYY 	C47H74N10O10S	970.531	NA	PeJP	NA	NA
+PJ107751	SPPLLKMW 	C47H74N10O10S	970.5311	NA	PeJP	NA	NA
+PJ107752	VLLFFFW 	C55H70N8O8	970.5317	NA	PeJP	NA	NA
+PJ107753	TKHHHRR 	C40H66N20O9	970.5322	NA	PeJP	NA	NA
+PJ107754	SSPPTLLKE 	C43H74N10O15	970.5335	NA	PeJP	NA	NA
+PJ107755	PVLKKEEE 	C43H74N10O15	970.5336	NA	PeJP	NA	NA
+PJ107756	TLLLLMMH 	C44H78N10O10S2	970.5344	NA	PeJP	NA	NA
+PJ107757	PQKKERW 	C44H70N14O11	970.5349	NA	PeJP	NA	NA
+PJ107758	PCQRRRR 	C37H70N20O9S	970.5356	NA	PeJP	NA	NA
+PJ107759	SSLLLLYY 	C48H74N8O13	970.5376	NA	PeJP	NA	NA
+PJ107760	GPLLEMRR 	C41H74N14O11S	970.5383	NA	PeJP	NA	NA
+PJ107761	PTLLRWW 	C49H70N12O9	970.5389	NA	PeJP	NA	NA
+PJ107762	VQQERRR 	C38H70N18O12	970.5421	NA	PeJP	NA	NA
+PJ107763	GPVLLMRW 	C46H74N12O9S	970.5423	NA	PeJP	NA	NA
+PJ107764	SPLLKEER 	C42H74N12O14	970.5448	NA	PeJP	NA	NA
+PJ107765	PPVLKMMR 	C43H78N12O9S2	970.5457	NA	PeJP	NA	NA
+PJ107766	PTQKRRW 	C43H70N16O10	970.5461	NA	PeJP	NA	NA
+PJ107767	SPVLLKEW 	C47H74N10O12	970.5488	NA	PeJP	NA	NA
+PJ107768	GPVQKMRR 	C40H74N16O10S	970.5495	NA	PeJP	NA	NA
+PJ107769	VVKHFRW 	C48H70N14O8	970.5501	NA	PeJP	NA	NA
+MJ098936	Eupha-7,24-diene-1,3,23-triol, 1-O-?-D-Glucopyranoside, 3-O-[2-O-acetyl-?-D-glucopyranoside], 23-O-?-L-rhamnopyranoside 	C50H82O18	970.550115	NA	MeJP	NA	NA
+PJ107770	APKKRWW 	C48H70N14O8	970.5502	NA	PeJP	NA	NA
+PJ107771	PLLLQKEM 	C44H78N10O12S	970.5522	NA	PeJP	NA	NA
+PJ107772	GVLLLFFY 	C52H74N8O10	970.5528	NA	PeJP	NA	NA
+PJ107773	AQERRRR 	C37H70N20O11	970.5533	NA	PeJP	NA	NA
+PJ107774	GAAERRRR 	C37H70N20O11	970.5534	NA	PeJP	NA	NA
+PJ107775	PLLMRRW 	C45H74N14O8S	970.5535	NA	PeJP	NA	NA
+HMDB09933	PIP(16:0/22:2(13Z,16Z))	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB09969	PIP(18:1(15Z)/20:1(11Z))	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB09977	PIP(18:1(9Z)/20:1(11Z))	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB09988	PIP(18:2(9Z,12Z)/20:0)	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB09997	PIP(20:0/18:2(9Z,12Z))	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB09999	PIP(20:1(11Z)/18:1(11Z))	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB10000	PIP(20:1(11Z)/18:1(9Z))	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB10002	PIP(20:2(11Z,14Z)/18:0)	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+HMDB10023	PIP(22:2(13Z,16Z)/16:0)	C47H88O16P2	970.554749	NA	HMDB2010	NA	NA
+PJ107776	GVLLEERR 	C41H74N14O13	970.556	NA	PeJP	NA	NA
+PJ107777	GGGGGGGALLKK 	C41H74N14O13	970.5561	NA	PeJP	NA	NA
+PJ107778	GLQRRRW 	C42H70N18O9	970.5574	NA	PeJP	NA	NA
+PJ107779	LLLLLEEE 	C45H78N8O15	970.5587	NA	PeJP	NA	NA
+PJ107780	SSPLLLRW 	C46H74N12O11	970.56	NA	PeJP	NA	NA
+PJ107781	AALLLERW 	C46H74N12O11	970.5601	NA	PeJP	NA	NA
+PJ107782	PQKMRRR 	C39H74N18O9S	970.5607	NA	PeJP	NA	NA
+MJ098937	Didemnin G 	C50H78N6O13	970.562686	NA	MeJP	NA	NA
+PJ107783	PVVLKEMR 	C43H78N12O11S	970.5634	NA	PeJP	NA	NA
+PJ107784	LLLLQWW 	C51H74N10O9	970.5641	NA	PeJP	NA	NA
+PJ107785	GDRRRRR 	C36H70N22O10	970.5646	NA	PeJP	NA	NA
+PJ107786	SPTLNKRR 	C40H74N16O12	970.5672	NA	PeJP	NA	NA
+PJ107787	LLEERRR 	C40H74N16O12	970.5673	NA	PeJP	NA	NA
+PJ107788	APLLLKMW 	C48H78N10O9S	970.5674	NA	PeJP	NA	NA
+PJ107789	AARRRRW 	C41H70N20O8	970.5686	NA	PeJP	NA	NA
+PJ107790	VLLLQKEE 	C44H78N10O14	970.5699	NA	PeJP	NA	NA
+PJ107791	GGILLLKEE 	C44H78N10O14	970.57	NA	PeJP	NA	NA
+PJ107792	VLLERRW 	C45H74N14O10	970.5713	NA	PeJP	NA	NA
+PJ107793	PCKRRRR 	C38H74N20O8S	970.572	NA	PeJP	NA	NA
+PJ107794	PTCLLLRR 	C42H78N14O10S	970.5746	NA	PeJP	NA	NA
+PJ107795	SPVLLMRR 	C42H78N14O10S	970.5747	NA	PeJP	NA	NA
+PJ107796	VVLLRWW 	C50H74N12O8	970.5753	NA	PeJP	NA	NA
+PJ107797	VQKERRR 	C39H74N18O11	970.5785	NA	PeJP	NA	NA
+PJ107798	ALLLKEER 	C43H78N12O13	970.5812	NA	PeJP	NA	NA
+PJ107799	PTKKRRW 	C44H74N16O9	970.5825	NA	PeJP	NA	NA
+PJ107800	GLLLLKEW 	C48H78N10O11	970.5852	NA	PeJP	NA	NA
+PJ107801	GPVKKMRR 	C41H78N16O9S	970.5859	NA	PeJP	NA	NA
+PJ107802	PLLLKKEM 	C45H82N10O11S	970.5886	NA	PeJP	NA	NA
+PJ107803	AKERRRR 	C38H74N20O10	970.5897	NA	PeJP	NA	NA
+PJ107804	ATLLLERR 	C42H78N14O12	970.5924	NA	PeJP	NA	NA
+PJ107805	AVKRRRW 	C43H74N18O8	970.5937	NA	PeJP	NA	NA
+PJ107806	GLKRRRW 	C43H74N18O8	970.5938	NA	PeJP	NA	NA
+PJ107807	GTLLLLRW 	C47H78N12O10	970.5964	NA	PeJP	NA	NA
+PJ107808	PKKMRRR 	C40H78N18O8S	970.5971	NA	PeJP	NA	NA
+PJ107809	PTLLLKMR 	C44H82N12O10S	970.5998	NA	PeJP	NA	NA
+PJ107810	LLLLKWW 	C52H78N10O8	970.6005	NA	PeJP	NA	NA
+PJ107811	ATRRRRR 	C37H74N22O9	970.601	NA	PeJP	NA	NA
+PJ107812	AALKKERR 	C41H78N16O11	970.6036	NA	PeJP	NA	NA
+PJ107813	GVVKKERR 	C41H78N16O11	970.6037	NA	PeJP	NA	NA
+PJ107814	VLLLKKEE 	C45H82N10O13	970.6063	NA	PeJP	NA	NA
+PJ107815	LLQKKRW 	C46H78N14O9	970.6077	NA	PeJP	NA	NA
+PJ107816	GLLLLMRR 	C43H82N14O9S	970.611	NA	PeJP	NA	NA
+PJ107817	VKKERRR 	C40H78N18O10	970.6149	NA	PeJP	NA	NA
+PJ107818	SLLLLKER 	C44H82N12O12	970.6176	NA	PeJP	NA	NA
+PJ107819	VVKKRRW 	C45H78N16O8	970.6189	NA	PeJP	NA	NA
+PJ107820	SVLLLLKW 	C49H82N10O10	970.6216	NA	PeJP	NA	NA
+PJ107821	LLLLLQKM 	C46H86N10O10S	970.625	NA	PeJP	NA	NA
+PJ107822	SLKRRRR 	C39H78N20O9	970.6261	NA	PeJP	NA	NA
+PJ107823	STLLLLRR 	C43H82N14O11	970.6288	NA	PeJP	NA	NA
+PJ107824	GVLLKKKW 	C48H82N12O9	970.6328	NA	PeJP	NA	NA
+PJ107825	VVLLLKMR 	C45H86N12O9S	970.6362	NA	PeJP	NA	NA
+PJ107826	GTLLKKRR 	C42H82N16O10	970.64	NA	PeJP	NA	NA
+PJ107827	GTTLLLLLK 	C46H86N10O12	970.6427	NA	PeJP	NA	NA
+PJ107828	LLKKKRW 	C47H82N14O8	970.644	NA	PeJP	NA	NA
+PJ107829	QKKKKRR 	C41H82N18O9	970.6513	NA	PeJP	NA	NA
+PJ107830	VVLKKKKE 	C45H86N12O11	970.6539	NA	PeJP	NA	NA
+PJ107831	GATLLLKKK 	C45H86N12O11	970.654	NA	PeJP	NA	NA
+PJ107832	PLLLLKKF 	C50H86N10O9	970.658	NA	PeJP	NA	NA
+PJ107833	LLLLLKKM 	C47H90N10O9S	970.6613	NA	PeJP	NA	NA
+PJ107834	SVLLKKKR 	C44H86N14O10	970.6652	NA	PeJP	NA	NA
+PJ107835	GVKKKKKR 	C43H86N16O9	970.6764	NA	PeJP	NA	NA
+PJ107836	KKKKKRR 	C42H86N18O8	970.6876	NA	PeJP	NA	NA
+PJ107837	TLLLKKKK 	C46H90N12O10	970.6903	NA	PeJP	NA	NA
+PJ107838	ALKKKKKK 	C45H90N14O9	970.7016	NA	PeJP	NA	NA
+HMDB05181	Dolichol-14	C70H114O	970.886963	NA	HMDB2010	NA	NA
+HMDB05418	TG(20:0/20:1(11Z)/20:1(11Z))[iso3]	C63H118O6	970.89282	http://www.hmdb.ca/metabolites/HMDB05418	HMDB	NA	NA
+HMDB05418	TG(20:0/20:1(11Z)/20:1(11Z))[iso3]	C63H118O6	970.89282	HMDB05418	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05418	TG(20:0/20:1(11Z)/20:1(11Z))[iso3]	C63H118O6	970.892822	NA	HMDB2010	NA	NA
+2689	NA	GGLYLCRFGPVTWDCGYKGG	970.97795	MH2+	Inhouse_peptide	NA	peptide
+PJ107839	CCCCCCCCE 	C29H49N9O12S8	971.1267	NA	PeJP	NA	NA
+MJ098938	2-Succinylbenzoyl-CoA 	C32H44N7O20P3S	971.157467	NA	MeJP	NA	NA
+MetaCyc04350	4-(2'-carboxyphenyl)-4-oxobutyryl-CoA []	C32H44N7O20P3S1	971.157467	NA	metacyc	NA	NA
+MetaCyc04351	benzoylsuccinyl-CoA []	C32H44N7O20P3S1	971.157467	NA	metacyc	NA	NA
+MetaCyc04352	O-succinylbenzoyl-CoA [2-Succinylbenzoyl-CoA;Succinylbenzoyl-CoA;2-(3'-carboxypropionyl)benzoyl-CoA;]	C32H44N7O20P3S1	971.157467	NA	metacyc	NA	NA
+C03160	2-Succinylbenzoyl-CoA	C32H44N7O20P3S	971.1575	NA	KEGG	NA	NA
+C03161	Oxidized flavoprotein	C32H44N7O20P3S	971.1575	NA	KEGG	NA	NA
+C03162	Oxidized plastocyanin	C32H44N7O20P3S	971.1575	NA	KEGG	NA	NA
+C09820	Benzoylsuccinyl-CoA	C32H44N7O20P3S	971.1575	NA	KEGG	NA	NA
+PJ107840	TCCCCCCCM 	C30H53N9O11S8	971.1631	NA	PeJP	NA	NA
+PJ107841	GCCCCCCDY 	C33H49N9O13S6	971.1775	NA	PeJP	NA	NA
+MetaCyc04353	(3-methylbenzyl)succinyl-CoA [3-methylbenzylsuccinyl-CoA;]	C33H48N7O19P3S1	971.193853	NA	metacyc	NA	NA
+PJ107842	GCCCCCCMF 	C34H53N9O10S7	971.1961	NA	PeJP	NA	NA
+PJ107843	GCCCCCDEH 	C32H49N11O14S5	971.2064	NA	PeJP	NA	NA
+PJ107844	GCCDDDDDD 	C32H45N9O22S2	971.2121	NA	PeJP	NA	NA
+PJ107845	GSCCCCCMY 	C34H53N9O12S6	971.2138	NA	PeJP	NA	NA
+PJ107846	CCCCCDHW 	C36H49N11O11S5	971.2217	NA	PeJP	NA	NA
+PJ107847	SSCCCCDDH 	C32H49N11O16S4	971.2242	NA	PeJP	NA	NA
+PJ107848	PTCCCCCCH 	C33H53N11O11S6	971.2251	NA	PeJP	NA	NA
+PJ107849	SPCCCDDDD 	C33H49N9O19S3	971.2307	NA	PeJP	NA	NA
+PJ107850	SSTCCCCCY 	C34H53N9O14S5	971.2316	NA	PeJP	NA	NA
+PJ107851	GCCCNNDDE 	C32H49N11O18S3	971.242	NA	PeJP	NA	NA
+PJ107852	GSCCCCEMH 	C33H53N11O13S5	971.2428	NA	PeJP	NA	NA
+PJ107853	CCCCCQFY 	C38H53N9O11S5	971.2468	NA	PeJP	NA	NA
+PJ107854	GACCCCCFY 	C38H53N9O11S5	971.2469	NA	PeJP	NA	NA
+PJ107855	GSCDDDDDM 	C33H49N9O21S2	971.2485	NA	PeJP	NA	NA
+PJ107856	GPCCCDDEM 	C34H53N9O16S4	971.2494	NA	PeJP	NA	NA
+PJ107857	CCCNNDDW 	C36H49N11O15S3	971.2572	NA	PeJP	NA	NA
+PJ107858	SCCCCMHW 	C37H53N11O10S5	971.2581	NA	PeJP	NA	NA
+PJ107859	SSCCNNDDD 	C32H49N11O20S2	971.2597	NA	PeJP	NA	NA
+PJ107860	SSSCCCDMH 	C33H53N11O15S4	971.2606	NA	PeJP	NA	NA
+PJ107861	CCCNMMMH 	C34H57N11O10S6	971.2615	NA	PeJP	NA	NA
+PJ107862	SCCDDDEW 	C37H49N9O18S2	971.2637	NA	PeJP	NA	NA
+PJ107863	PCCCDDMW 	C38H53N9O13S4	971.2646	NA	PeJP	NA	NA
+PJ107864	SSSCDDDDE 	C33H49N9O23S	971.2662	NA	PeJP	NA	NA
+PJ107865	CNDDDEMM 	C34H53N9O18S3	971.2671	NA	PeJP	NA	NA
+PJ107866	SPPCCCCEM 	C35H57N9O13S5	971.268	NA	PeJP	NA	NA
+PJ107867	GCCCNNNNM 	C32H53N13O14S4	971.2718	NA	PeJP	NA	NA
+PJ107868	GGGGGGGGGCCCM 	C32H53N13O14S4	971.2719	NA	PeJP	NA	NA
+PJ107869	GSPCCCCNW 	C37H53N11O12S4	971.2758	NA	PeJP	NA	NA
+PJ107870	GGGSPCCCCW 	C37H53N11O12S4	971.2759	NA	PeJP	NA	NA
+PJ107871	GSCCNNDEM 	C33H53N11O17S3	971.2783	NA	PeJP	NA	NA
+PJ107872	CCDDDDMR 	C33H53N11O17S3	971.2784	NA	PeJP	NA	NA
+PJ107873	GSTCCCMMH 	C34H57N11O12S5	971.2792	NA	PeJP	NA	NA
+PJ107874	CNDDDDEF 	C37H49N9O20S	971.2815	NA	PeJP	NA	NA
+PJ107875	GCDDDMMW 	C38H53N9O15S3	971.2824	NA	PeJP	NA	NA
+PJ107876	CCCCCKFY 	C39H57N9O10S5	971.2832	NA	PeJP	NA	NA
+PJ107877	GSSDDDDMM 	C34H53N9O20S2	971.2849	NA	PeJP	NA	NA
+PJ107878	GSPCCDEMM 	C35H57N9O15S4	971.2857	NA	PeJP	NA	NA
+PJ107879	CCNDDEHH 	C35H49N13O16S2	971.2862	NA	PeJP	NA	NA
+PJ107880	GPPCCCMMM 	C36H61N9O10S6	971.2866	NA	PeJP	NA	NA
+PJ107881	GSCCCNDDR 	C32H53N13O16S3	971.2896	NA	PeJP	NA	NA
+PJ107882	GPCCCCCQR 	C33H57N13O11S5	971.2904	NA	PeJP	NA	NA
+PJ107883	APCCCCCNR 	C33H57N13O11S5	971.2905	NA	PeJP	NA	NA
+PJ107884	ACCCCHFW 	C41H53N11O9S4	971.2911	NA	PeJP	NA	NA
+PJ107885	CNNNDDDY 	C36H49N11O19S	971.2927	NA	PeJP	NA	NA
+PJ107886	GGGGGGCDDDY 	C36H49N11O19S	971.2928	NA	PeJP	NA	NA
+PJ107887	SCCNNDMW 	C37H53N11O14S3	971.2936	NA	PeJP	NA	NA
+PJ107888	SSSCNNDDM 	C33H53N11O19S2	971.2961	NA	PeJP	NA	NA
+PJ107889	GCDDDDFW 	C41H49N9O17S	971.2968	NA	PeJP	NA	NA
+PJ107890	SSSSCCMMH 	C34H57N11O14S4	971.297	NA	PeJP	NA	NA
+PJ107891	CCDEMWW 	C42H53N9O12S3	971.2976	NA	PeJP	NA	NA
+PJ107892	SNDDDDEY 	C37H49N9O22	971.2993	NA	PeJP	NA	NA
+PJ107893	SSCDDEMW 	C38H53N9O17S2	971.3001	NA	PeJP	NA	NA
+PJ107894	SPCCDMMW 	C39H57N9O12S4	971.301	NA	PeJP	NA	NA
+PJ107895	GCCDDHHW 	C39H49N13O13S2	971.3015	NA	PeJP	NA	NA
+PJ107896	SSSSDDDEM 	C34H53N9O22S	971.3026	NA	PeJP	NA	NA
+PJ107897	SNDDEMMM 	C35H57N9O17S3	971.3035	NA	PeJP	NA	NA
+PJ107898	GSSCDDDHH 	C35H49N13O18S	971.304	NA	PeJP	NA	NA
+PJ107899	CDDMYYY 	C43H53N7O15S2	971.3041	NA	PeJP	NA	NA
+PJ107900	PCNDMMMM 	C36H61N9O12S5	971.3044	NA	PeJP	NA	NA
+PJ107901	GSPCCCEHH 	C36H53N13O13S3	971.3048	NA	PeJP	NA	NA
+PJ107902	GSSSSCCNNN 	C32H53N13O18S2	971.3073	NA	PeJP	NA	NA
+PJ107903	GGGGGGGSSSSCC 	C32H53N13O18S2	971.3074	NA	PeJP	NA	NA
+PJ107904	CCCNNEMR 	C33H57N13O13S4	971.3082	NA	PeJP	NA	NA
+PJ107905	CMMMMYY 	C41H61N7O10S5	971.3084	NA	PeJP	NA	NA
+PJ107906	GSCCCQWW 	C41H53N11O11S3	971.3089	NA	PeJP	NA	NA
+PJ107907	GSPDDDDDH 	C36H49N11O21	971.3105	NA	PeJP	NA	NA
+PJ107908	GSSSCCNEW 	C37H53N11O16S2	971.3114	NA	PeJP	NA	NA
+PJ107909	GCCNQMMW 	C38H57N11O11S4	971.3122	NA	PeJP	NA	NA
+PJ107910	GSSSSSCNDE 	C33H53N11O21S	971.3139	NA	PeJP	NA	NA
+PJ107911	GSDDDDYW 	C41H49N9O19	971.3145	NA	PeJP	NA	NA
+PJ107912	SCDDDMMR 	C34H57N11O16S3	971.3147	NA	PeJP	NA	NA
+PJ107913	GPCCDEYW 	C42H53N9O14S2	971.3154	NA	PeJP	NA	NA
+PJ107914	PCCCEMMR 	C35H61N11O11S5	971.3156	NA	PeJP	NA	NA
+PJ107915	CCNNNMHH 	C35H53N15O12S3	971.3161	NA	PeJP	NA	NA
+PJ107916	GNDDEEMY 	C38H53N9O19S	971.3179	NA	PeJP	NA	NA
+PJ107917	ASPPCCCEY 	C39H57N9O14S3	971.3187	NA	PeJP	NA	NA
+PJ107918	GSDDMMMW 	C39H57N9O14S3	971.3188	NA	PeJP	NA	NA
+PJ107919	CCCCNDRR 	C32H57N15O12S4	971.3194	NA	PeJP	NA	NA
+PJ107920	GGCCCCDRR 	C32H57N15O12S4	971.3195	NA	PeJP	NA	NA
+PJ107921	APCCMMMW 	C40H61N9O9S5	971.3196	NA	PeJP	NA	NA
+PJ107922	SPCCCHHW 	C40H53N13O10S3	971.3201	NA	PeJP	NA	NA
+PJ107923	GSSTCEEEM 	C35H57N9O19S2	971.3212	NA	PeJP	NA	NA
+PJ107924	GSSSDEEMM 	C35H57N9O19S2	971.3213	NA	PeJP	NA	NA
+PJ107925	NNNDDDEH 	C35H49N13O20	971.3217	NA	PeJP	NA	NA
+PJ107926	GGGGGGDDDEH 	C35H49N13O20	971.3218	NA	PeJP	NA	NA
+PJ107927	GNEEMMMM 	C36H61N9O14S4	971.3221	NA	PeJP	NA	NA
+PJ107928	CCNNNNQY 	C36H53N13O15S2	971.3226	NA	PeJP	NA	NA
+PJ107929	CDMMFYY 	C44H57N7O12S3	971.3228	NA	PeJP	NA	NA
+PJ107930	GCCCNMRW 	C37H57N13O10S4	971.3235	NA	PeJP	NA	NA
+PJ107931	GSSCCNDMR 	C33H57N13O15S3	971.326	NA	PeJP	NA	NA
+PJ107932	SSSCCNWW 	C41H53N11O13S2	971.3266	NA	PeJP	NA	NA
+PJ107933	GPCCCCCKR 	C34H61N13O10S5	971.3268	NA	PeJP	NA	NA
+PJ107934	SSSSSCNDW 	C37H53N11O18S	971.3291	NA	PeJP	NA	NA
+PJ107935	SSCNNMMW 	C38H57N11O13S3	971.33	NA	PeJP	NA	NA
+PJ107936	PCCDYWW 	C46H53N9O11S2	971.3306	NA	PeJP	NA	NA
+PJ107937	SSSSSSSNDD 	C33H53N11O23	971.3316	NA	PeJP	NA	NA
+PJ107938	SSSSNNDMM 	C34H57N11O18S2	971.3325	NA	PeJP	NA	NA
+PJ107939	NDDEMYW 	C42H53N9O16S	971.3331	NA	PeJP	NA	NA
+PJ107940	GGPCDDDFF 	C42H53N9O16S	971.3332	NA	PeJP	NA	NA
+PJ107941	SNNNMMMM 	C35H61N11O13S4	971.3333	NA	PeJP	NA	NA
+PJ107942	GCDEMMMR 	C35H61N11O13S4	971.3334	NA	PeJP	NA	NA
+PJ107943	SCCDDHHR 	C35H53N15O14S2	971.3338	NA	PeJP	NA	NA
+PJ107944	GGGGGGGPCCNH 	C35H53N15O14S2	971.3339	NA	PeJP	NA	NA
+PJ107945	SCEMMWW 	C43H57N9O11S3	971.334	NA	PeJP	NA	NA
+PJ107946	SSNDEEEY 	C38H53N9O21	971.3356	NA	PeJP	NA	NA
+PJ107947	SSSDEMMW 	C39H57N9O16S2	971.3365	NA	PeJP	NA	NA
+PJ107948	GNNDDDHW 	C39H49N13O17	971.337	NA	PeJP	NA	NA
+PJ107949	CDDFFYY 	C47H53N7O14S	971.3372	NA	PeJP	NA	NA
+PJ107950	NEMMMMW 	C40H61N9O11S4	971.3374	NA	PeJP	NA	NA
+PJ107951	GSCDMHHW 	C40H53N13O12S2	971.3379	NA	PeJP	NA	NA
+PJ107952	SSSSSEEEM 	C35H57N9O21S	971.339	NA	PeJP	NA	NA
+PJ107953	SSQEEMMM 	C36H61N9O16S3	971.3399	NA	PeJP	NA	NA
+PJ107954	GSSCNNNNY 	C36H53N13O17S	971.3403	NA	PeJP	NA	NA
+PJ107955	GGGGGSSCNNY 	C36H53N13O17S	971.3404	NA	PeJP	NA	NA
+PJ107956	SDMMYYY 	C44H57N7O14S2	971.3405	NA	PeJP	NA	NA
+PJ107957	SPNMMMMM 	C37H65N9O11S5	971.3407	NA	PeJP	NA	NA
+PJ107958	GGSPMMMMM 	C37H65N9O11S5	971.3408	NA	PeJP	NA	NA
+PJ107959	SSCCCQRW 	C37H57N13O12S3	971.3412	NA	PeJP	NA	NA
+PJ107960	CMMMFFY 	C45H61N7O9S4	971.3414	NA	PeJP	NA	NA
+PJ107961	CCNNFWW 	C45H53N11O10S2	971.3419	NA	PeJP	NA	NA
+MJ098939	Antibiotic A 2121; Antibiotic A 2121-1, 12a-O-Deglycosyl 	C47H57NO21	971.342307	NA	MeJP	NA	NA
+PJ107962	SSSSCCNER 	C33H57N13O17S2	971.3437	NA	PeJP	NA	NA
+PJ107963	CDDDRYW 	C41H53N11O15S	971.3444	NA	PeJP	NA	NA
+PJ107964	SCCNQMMR 	C34H61N13O12S4	971.3446	NA	PeJP	NA	NA
+PJ107965	GSCCCKWW 	C42H57N11O10S3	971.3452	NA	PeJP	NA	NA
+PJ107966	GGACCMHFF 	C42H57N11O10S3	971.3453	NA	PeJP	NA	NA
+PJ107967	SSDDDDRY 	C37H53N11O20	971.3469	NA	PeJP	NA	NA
+PJ107968	GSSSSCQMW 	C38H57N11O15S2	971.3477	NA	PeJP	NA	NA
+PJ107969	GGGGGNEMMY 	C38H57N11O15S2	971.3478	NA	PeJP	NA	NA
+PJ107970	GDDMYWW 	C46H53N9O13S	971.3484	NA	PeJP	NA	NA
+PJ107971	CDMMMRW 	C39H61N11O10S4	971.3486	NA	PeJP	NA	NA
+PJ107972	PCCMFWW 	C47H57N9O8S3	971.3493	NA	PeJP	NA	NA
+PJ107973	GSSSSSSNEM 	C34H57N11O20S	971.3502	NA	PeJP	NA	NA
+PJ107974	GSSDEEYW 	C42H53N9O18	971.3509	NA	PeJP	NA	NA
+PJ107975	SSDDMMMR 	C35H61N11O15S3	971.3511	NA	PeJP	NA	NA
+PJ107976	SSSSCNNHH 	C35H53N15O16S	971.3516	NA	PeJP	NA	NA
+PJ107977	GSPCEMYW 	C43H57N9O13S2	971.3518	NA	PeJP	NA	NA
+PJ107978	PTCCMMMR 	C36H65N11O10S5	971.352	NA	PeJP	NA	NA
+PJ107979	GCCEMHHR 	C36H57N15O11S3	971.3525	NA	PeJP	NA	NA
+PJ107980	GMMMMWW 	C44H61N9O8S4	971.3526	NA	PeJP	NA	NA
+PJ107981	TCCHHWW 	C44H53N13O9S2	971.3531	NA	PeJP	NA	NA
+PJ107982	GSQEEEMY 	C39H57N9O18S	971.3543	NA	PeJP	NA	NA
+PJ107983	GDEYYYY 	C47H53N7O16	971.3549	NA	PeJP	NA	NA
+PJ107984	GSTEMMMW 	C40H61N9O13S3	971.3551	NA	PeJP	NA	NA
+PJ107985	SSSCEHHW 	C40H53N13O14S	971.3556	NA	PeJP	NA	NA
+PJ107986	CDMFFFY 	C48H57N7O11S2	971.3558	NA	PeJP	NA	NA
+PJ107987	CQMMHHW 	C41H57N13O9S3	971.3565	NA	PeJP	NA	NA
+PJ107988	GSSTTEEMM 	C36H61N9O18S2	971.3576	NA	PeJP	NA	NA
+PJ107989	GDDDEEHR 	C36H53N13O19	971.3581	NA	PeJP	NA	NA
+PJ107990	GDKEMMMM 	C37H65N9O13S4	971.3585	NA	PeJP	NA	NA
+PJ107991	GSSSSCCRW 	C37H57N13O14S2	971.359	NA	PeJP	NA	NA
+PJ107992	AMMMYYY 	C45H61N7O11S3	971.3591	NA	PeJP	NA	NA
+PJ107993	SCNNYWW 	C45H53N11O12S	971.3596	NA	PeJP	NA	NA
+PJ107994	ACCCCKRW 	C38H61N13O9S4	971.3599	NA	PeJP	NA	NA
+PJ107995	GCNMHHHH 	C38H53N17O10S2	971.3603	NA	PeJP	NA	NA
+PJ107996	GSSSSSSCDR 	C33H57N13O19S	971.3615	NA	PeJP	NA	NA
+PJ107997	SSSNNDYW 	C41H53N11O17	971.3621	NA	PeJP	NA	NA
+PJ107998	GGGGPPDDDW 	C41H53N11O17	971.3622	NA	PeJP	NA	NA
+PJ107999	GSSSCNMMR 	C34H61N13O14S3	971.3623	NA	PeJP	NA	NA
+PJ108000	GGGSSSCMMR 	C34H61N13O14S3	971.3624	NA	PeJP	NA	NA
+PJ108001	NNNMMYW 	C42H57N11O12S2	971.363	NA	PeJP	NA	NA
+PJ108002	CEYWWW 	C50H53N9O10S	971.3636	NA	PeJP	NA	NA
+PJ108003	SSSSSSNMW 	C38H57N11O17S	971.3655	NA	PeJP	NA	NA
+PJ108004	SSDEYWW 	C46H53N9O15	971.3661	NA	PeJP	NA	NA
+PJ108005	GGPDDYYW 	C46H53N9O15	971.3662	NA	PeJP	NA	NA
+PJ108006	SSCCQKMW 	C39H61N11O12S3	971.3664	NA	PeJP	NA	NA
+PJ108007	GCNNNQHW 	C39H53N15O13S	971.3668	NA	PeJP	NA	NA
+PJ108008	GGGGGCNQHW 	C39H53N15O13S	971.3669	NA	PeJP	NA	NA
+PJ108009	SPCMYWW 	C47H57N9O10S2	971.367	NA	PeJP	NA	NA
+PJ108010	CCMHHRW 	C40H57N15O8S3	971.3677	NA	PeJP	NA	NA
+PJ108011	SSSSSSSSQE 	C34H57N11O22	971.368	NA	PeJP	NA	NA
+PJ108012	SSSSSQQMM 	C35H61N11O17S2	971.3689	NA	PeJP	NA	NA
+PJ108013	SNNDDDHR 	C35H53N15O18	971.3693	NA	PeJP	NA	NA
+MJ098940	Oligostatin D 	C37H65NO28	971.36931	NA	MeJP	NA	NA
+PJ108014	GGSNDDDHR 	C35H53N15O18	971.3694	NA	PeJP	NA	NA
+PJ108015	SQEEMYW 	C43H57N9O15S	971.3695	NA	PeJP	NA	NA
+PJ108016	GSEMMMMR 	C36H65N11O12S4	971.3697	NA	PeJP	NA	NA
+PJ108017	GGGGTCKMMM 	C36H65N11O12S4	971.3698	NA	PeJP	NA	NA
+PJ108018	DYYYYW 	C51H53N7O13	971.3702	NA	PeJP	NA	NA
+PJ108019	STMMMWW 	C44H61N9O10S3	971.3704	NA	PeJP	NA	NA
+PJ108020	CNEHHFW 	C44H53N13O11S	971.3709	NA	PeJP	NA	NA
+PJ108021	SSTQEEEY 	C39H57N9O20	971.372	NA	PeJP	NA	NA
+PJ108022	SSTTEMMW 	C40H61N9O15S2	971.3729	NA	PeJP	NA	NA
+PJ108023	GNNNNNYY 	C40H53N13O16	971.3733	NA	PeJP	NA	NA
+PJ108024	DDDEHRW 	C40H53N13O16	971.3734	NA	PeJP	NA	NA
+PJ108025	PTCYYYY 	C48H57N7O13S	971.3735	NA	PeJP	NA	NA
+PJ108026	GSSTCCCRR 	C33H61N15O13S3	971.3736	NA	PeJP	NA	NA
+PJ108027	DKMMMMW 	C41H65N9O10S4	971.3738	NA	PeJP	NA	NA
+PJ108028	CCNQRYW 	C41H57N13O11S2	971.3742	NA	PeJP	NA	NA
+PJ108029	GGGGAPCMHW 	C41H57N13O11S2	971.3743	NA	PeJP	NA	NA
+PJ108030	CMMFFFF 	C49H61N7O8S3	971.3744	NA	PeJP	NA	NA
+PJ108031	SSSTTTEEM 	C36H61N9O20S	971.3754	NA	PeJP	NA	NA
+PJ108032	SSKEEMMM 	C37H65N9O15S3	971.3763	NA	PeJP	NA	NA
+PJ108033	SSCNNERY 	C37H57N13O16S	971.3767	NA	PeJP	NA	NA
+PJ108034	GGGGAQEEMH 	C37H57N13O16S	971.3768	NA	PeJP	NA	NA
+PJ108035	TTMMYYY 	C45H61N7O13S2	971.3769	NA	PeJP	NA	NA
+PJ108036	GLQMMMMM 	C38H69N9O10S5	971.3771	NA	PeJP	NA	NA
+PJ108037	GEEEHWW 	C45H53N11O14	971.3774	NA	PeJP	NA	NA
+PJ108038	SSCCCKRW 	C38H61N13O11S3	971.3776	NA	PeJP	NA	NA
+PJ108039	SSCQHHHH 	C38H53N17O12S	971.3781	NA	PeJP	NA	NA
+PJ108040	SSSSSCQMR 	C34H61N13O16S2	971.3801	NA	PeJP	NA	NA
+PJ108041	GSSNQMYW 	C42H57N11O14S	971.3807	NA	PeJP	NA	NA
+PJ108042	SDDMRYW 	C42H57N11O14S	971.3808	NA	PeJP	NA	NA
+PJ108043	SCCNKMMR 	C35H65N13O11S4	971.381	NA	PeJP	NA	NA
+PJ108044	GDDFFWW 	C50H53N9O12	971.3814	NA	PeJP	NA	NA
+PJ108045	APPCMMHW 	C43H61N11O9S3	971.3816	NA	PeJP	NA	NA
+PJ108046	GSSSSSSSTW 	C38H57N11O19	971.3832	NA	PeJP	NA	NA
+PJ108047	SSSDEERY 	C38H57N11O19	971.3833	NA	PeJP	NA	NA
+PJ108048	GSSSSCKMW 	C39H61N11O14S2	971.3841	NA	PeJP	NA	NA
+PJ108049	GGGGAPPPCEM 	C39H61N11O14S2	971.3842	NA	PeJP	NA	NA
+PJ108050	SSNNNNHW 	C39H53N15O15	971.3846	NA	PeJP	NA	NA
+PJ108051	GTEMYWW 	C47H57N9O12S	971.3848	NA	PeJP	NA	NA
+PJ108052	SMMMMRW 	C40H65N11O9S4	971.385	NA	PeJP	NA	NA
+PJ108053	GPCCNHRW 	C40H57N15O10S2	971.3855	NA	PeJP	NA	NA
+PJ108054	GCHHFWW 	C48H53N13O8S	971.3861	NA	PeJP	NA	NA
+PJ108055	GSSSSSSDKM 	C35H61N11O19S	971.3866	NA	PeJP	NA	NA
+PJ108056	GSTTEEYW 	C43H57N9O17	971.3873	NA	PeJP	NA	NA
+PJ108057	SSTEMMMR 	C36H65N11O14S3	971.3875	NA	PeJP	NA	NA
+PJ108058	GNNDEMHR 	C36H57N15O15S	971.388	NA	PeJP	NA	NA
+PJ108059	VNEMMYW 	C44H61N9O12S2	971.3881	NA	PeJP	NA	NA
+PJ108060	GGVEMMYW 	C44H61N9O12S2	971.3882	NA	PeJP	NA	NA
+PJ108061	AAMMMMMR 	C37H69N11O9S5	971.3884	NA	PeJP	NA	NA
+PJ108062	SNNEHWW 	C44H53N13O13	971.3886	NA	PeJP	NA	NA
+PJ108063	MFYYYW 	C52H57N7O10S	971.3888	NA	PeJP	NA	NA
+PJ108064	GGACCCFRR 	C37H61N15O10S3	971.3889	NA	PeJP	NA	NA
+PJ108065	ATTQEEMY 	C40H61N9O17S	971.3906	NA	PeJP	NA	NA
+PJ108066	GSKEEEMY 	C40H61N9O17S	971.3907	NA	PeJP	NA	NA
+PJ108067	ATEYYYY 	C48H57N7O15	971.3913	NA	PeJP	NA	NA
+PJ108068	SSSLMMMW 	C41H65N9O12S3	971.3915	NA	PeJP	NA	NA
+PJ108069	GSSCNRYW 	C41H57N13O13S	971.392	NA	PeJP	NA	NA
+PJ108070	AMMFFYY 	C49H61N7O10S2	971.3922	NA	PeJP	NA	NA
+PJ108071	EEHWWW 	C49H53N11O11	971.3926	NA	PeJP	NA	NA
+PJ108072	CKMMHHW 	C42H61N13O8S3	971.3929	NA	PeJP	NA	NA
+PJ108073	SSSSTLEMM 	C37H65N9O17S2	971.394	NA	PeJP	NA	NA
+PJ108074	GSSSSNDRY 	C37H57N13O18	971.3945	NA	PeJP	NA	NA
+PJ108075	ATKEMMMM 	C38H69N9O12S4	971.3949	NA	PeJP	NA	NA
+PJ108076	SVCCNQRY 	C38H61N13O13S2	971.3953	NA	PeJP	NA	NA
+PJ108077	CDEMRRY 	C38H61N13O13S2	971.3954	NA	PeJP	NA	NA
+PJ108078	GSSSSHHHH 	C38H53N17O14	971.3958	NA	PeJP	NA	NA
+PJ108079	GGGGGQEHHH 	C38H53N17O14	971.3959	NA	PeJP	NA	NA
+PJ108080	SPEMHWW 	C46H57N11O11S	971.396	NA	PeJP	NA	NA
+PJ108081	ACCKHHHH 	C39H57N17O9S2	971.3967	NA	PeJP	NA	NA
+PJ108082	GSSSSSSSMR 	C34H61N13O18S	971.3979	NA	PeJP	NA	NA
+PJ108083	SSSSQQYW 	C42H57N11O16	971.3985	NA	PeJP	NA	NA
+PJ108084	GSSTCCKMR 	C35H65N13O13S3	971.3987	NA	PeJP	NA	NA
+PJ108085	GCNDDHRR 	C35H57N17O14S	971.3992	NA	PeJP	NA	NA
+PJ108086	GEMMRYW 	C43H61N11O11S2	971.3994	NA	PeJP	NA	NA
+PJ108087	GSPDHHHW 	C43H53N15O12	971.3999	NA	PeJP	NA	NA
+PJ108088	TMYWWW 	C51H57N9O9S	971.4	NA	PeJP	NA	NA
+PJ108089	SSSSSTCKW 	C39H61N11O16S	971.4019	NA	PeJP	NA	NA
+PJ108090	STTEYWW 	C47H57N9O14	971.4025	NA	PeJP	NA	NA
+PJ108091	SSCCKKMW 	C40H65N11O11S3	971.4028	NA	PeJP	NA	NA
+PJ108092	NNDMHRW 	C40H57N15O12S	971.4032	NA	PeJP	NA	NA
+PJ108093	GVMMYWW 	C48H61N9O9S2	971.4034	NA	PeJP	NA	NA
+PJ108094	GSNHWWW 	C48H53N13O10	971.4039	NA	PeJP	NA	NA
+PJ108095	SSSSSSSSKE 	C35H61N11O21	971.4044	NA	PeJP	NA	NA
+PJ108096	MHHHHHH 	C41H53N19O8S	971.4046	NA	PeJP	NA	NA
+PJ108097	SSSSSQKMM 	C36H65N11O16S2	971.4052	NA	PeJP	NA	NA
+PJ108098	GGSSSSTKMM 	C36H65N11O16S2	971.4053	NA	PeJP	NA	NA
+PJ108099	SSNNEEHR 	C36H57N15O17	971.4057	NA	PeJP	NA	NA
+PJ108100	GGGGGGPNDER 	C36H57N15O17	971.4058	NA	PeJP	NA	NA
+PJ108101	SKEEMYW 	C44H61N9O14S	971.4059	NA	PeJP	NA	NA
+PJ108102	ATTMMMMR 	C37H69N11O11S4	971.4061	NA	PeJP	NA	NA
+PJ108103	GPFYYYY 	C52H57N7O12	971.4065	NA	PeJP	NA	NA
+PJ108104	GEFFFYY 	C52H57N7O12	971.4066	NA	PeJP	NA	NA
+PJ108105	VQMMMFW 	C45H65N9O9S3	971.4068	NA	PeJP	NA	NA
+PJ108106	GQQMHWW 	C45H57N13O10S	971.4072	NA	PeJP	NA	NA
+PJ108107	GGAQMHWW 	C45H57N13O10S	971.4073	NA	PeJP	NA	NA
+PJ108108	SSTKEEEY 	C40H61N9O19	971.4084	NA	PeJP	NA	NA
+PJ108109	TTTTTMMW 	C41H65N9O14S2	971.4093	NA	PeJP	NA	NA
+PJ108110	SEEEHRW 	C41H57N13O15	971.4097	NA	PeJP	NA	NA
+PJ108111	TDEEHRW 	C41H57N13O15	971.4098	NA	PeJP	NA	NA
+PJ108112	GLMYYYY 	C49H61N7O12S	971.4099	NA	PeJP	NA	NA
+PJ108113	GPKMMMMF 	C42H69N9O9S4	971.4102	NA	PeJP	NA	NA
+PJ108114	CCNKRYW 	C42H61N13O10S2	971.4106	NA	PeJP	NA	NA
+PJ108115	NNQHHHW 	C42H53N17O11	971.4111	NA	PeJP	NA	NA
+PJ108116	PPCHFWW 	C50H57N11O8S	971.4113	NA	PeJP	NA	NA
+PJ108117	STTTTTTEM 	C37H65N9O19S	971.4118	NA	PeJP	NA	NA
+PJ108118	TTTKEMMM 	C38H69N9O14S3	971.4126	NA	PeJP	NA	NA
+PJ108119	SSSNQMRY 	C38H61N13O15S	971.4131	NA	PeJP	NA	NA
+PJ108120	GGGGGGGGAPPTM 	C38H61N13O15S	971.4132	NA	PeJP	NA	NA
+PJ108121	GLKMMMMM 	C39H73N9O9S5	971.4135	NA	PeJP	NA	NA
+PJ108122	SVEEHWW 	C46H57N11O13	971.4138	NA	PeJP	NA	NA
+PJ108123	CEMMFRR 	C39H65N13O10S3	971.414	NA	PeJP	NA	NA
+PJ108124	GPCEHHHR 	C39H57N17O11S	971.4145	NA	PeJP	NA	NA
+PJ108125	MMRYWW 	C47H61N11O8S2	971.4146	NA	PeJP	NA	NA
+PJ108126	SSSSSSSSTR 	C34H61N13O20	971.4156	NA	PeJP	NA	NA
+PJ108127	SSSSSCKMR 	C35H65N13O15S2	971.4165	NA	PeJP	NA	NA
+PJ108128	GSSSNNNHR 	C35H57N17O16	971.417	NA	PeJP	NA	NA
+PJ108129	STEMRYW 	C43H61N11O13S	971.4171	NA	PeJP	NA	NA
+PJ108130	GALEEMHW 	C43H61N11O13S	971.4172	NA	PeJP	NA	NA
+PJ108131	TCCCKKMR 	C36H69N13O10S4	971.4174	NA	PeJP	NA	NA
+PJ108132	GPTYYWW 	C51H57N9O11	971.4178	NA	PeJP	NA	NA
+PJ108133	AMMMFRW 	C44H65N11O8S3	971.418	NA	PeJP	NA	NA
+PJ108134	GCQHRWW 	C44H57N15O9S	971.4185	NA	PeJP	NA	NA
+PJ108135	SSTTEERY 	C39H61N11O18	971.4196	NA	PeJP	NA	NA
+PJ108136	SPPEEEER 	C39H61N11O18	971.4197	NA	PeJP	NA	NA
+PJ108137	DKEMMRY 	C40H65N11O13S2	971.4205	NA	PeJP	NA	NA
+PJ108138	GSSNEHRW 	C40H57N15O14	971.421	NA	PeJP	NA	NA
+PJ108139	SSLMYWW 	C48H61N9O11S	971.4211	NA	PeJP	NA	NA
+PJ108140	PVNMYYW 	C48H61N9O11S	971.4212	NA	PeJP	NA	NA
+PJ108141	FFFYYW 	C56H57N7O9	971.4218	NA	PeJP	NA	NA
+PJ108142	NMMHHFR 	C41H61N15O9S2	971.4219	NA	PeJP	NA	NA
+PJ108143	GPNHHHHH 	C41H53N19O10	971.4223	NA	PeJP	NA	NA
+PJ108144	GSSSSSTTKM 	C36H65N11O18S	971.423	NA	PeJP	NA	NA
+PJ108145	GSSPPTTYY 	C44H61N9O16	971.4236	NA	PeJP	NA	NA
+PJ108146	SSSTLEYW 	C44H61N9O16	971.4237	NA	PeJP	NA	NA
+PJ108147	TTTTMMMR 	C37H69N11O13S3	971.4239	NA	PeJP	NA	NA
+PJ108148	SSSCNRRY 	C37H61N15O14S	971.4243	NA	PeJP	NA	NA
+PJ108149	DEEMHRR 	C37H61N15O14S	971.4244	NA	PeJP	NA	NA
+PJ108150	VDKMMYW 	C45H65N9O11S2	971.4245	NA	PeJP	NA	NA
+PJ108151	SNDKHWW 	C45H57N13O12	971.425	NA	PeJP	NA	NA
+PJ108152	AMFFFFY 	C53H61N7O9S	971.4252	NA	PeJP	NA	NA
+PJ108153	ATTKEEMY 	C41H65N9O16S	971.427	NA	PeJP	NA	NA
+PJ108154	APPVVDDEM 	C41H65N9O16S	971.4271	NA	PeJP	NA	NA
+PJ108155	STLYYYY 	C49H61N7O14	971.4277	NA	PeJP	NA	NA
+PJ108156	APTKMMMY 	C42H69N9O11S3	971.4279	NA	PeJP	NA	NA
+PJ108157	VDEMHRW 	C42H61N13O12S	971.4284	NA	PeJP	NA	NA
+PJ108158	SPPNWWW 	C50H57N11O10	971.429	NA	PeJP	NA	NA
+PJ108159	PCHHHRW 	C43H57N17O8S	971.4297	NA	PeJP	NA	NA
+PJ108160	SSTTTTLMM 	C38H69N9O16S2	971.4304	NA	PeJP	NA	NA
+PJ108161	GSSSSTQRY 	C38H61N13O17	971.4309	NA	PeJP	NA	NA
+PJ108162	STLKMMMM 	C39H73N9O11S4	971.4313	NA	PeJP	NA	NA
+PJ108163	SEMMRRY 	C39H65N13O12S2	971.4317	NA	PeJP	NA	NA
+PJ108164	GCCDKKRY 	C39H65N13O12S2	971.4318	NA	PeJP	NA	NA
+PJ108165	GNNNNHFR 	C39H57N17O13	971.4322	NA	PeJP	NA	NA
+PJ108166	GGGGGGGGGHFR 	C39H57N17O13	971.4323	NA	PeJP	NA	NA
+PJ108167	ALEMHWW 	C47H61N11O10S	971.4324	NA	PeJP	NA	NA
+PJ108168	TFFWWW 	C55H57N9O8	971.433	NA	PeJP	NA	NA
+PJ108169	SSSSQKYW 	C43H61N11O15	971.4349	NA	PeJP	NA	NA
+PJ108170	GSNDMHRR 	C36H61N17O13S	971.4356	NA	PeJP	NA	NA
+PJ108171	SVMMRYW 	C44H65N11O10S2	971.4358	NA	PeJP	NA	NA
+PJ108172	SSNHRWW 	C44H57N15O11	971.4362	NA	PeJP	NA	NA
+PJ108173	GGLEHHHW 	C44H57N15O11	971.4363	NA	PeJP	NA	NA
+PJ108174	GVMFFWW 	C52H61N9O8S	971.4364	NA	PeJP	NA	NA
+PJ108175	SSSLEMRY 	C40H65N11O15S	971.4383	NA	PeJP	NA	NA
+PJ108176	SPKEYYW 	C48H61N9O13	971.4389	NA	PeJP	NA	NA
+PJ108177	LQMMMRY 	C41H69N11O10S3	971.4391	NA	PeJP	NA	NA
+PJ108178	GGACKKMMF 	C41H69N11O10S3	971.4392	NA	PeJP	NA	NA
+PJ108179	SQQMHRW 	C41H61N15O11S	971.4396	NA	PeJP	NA	NA
+PJ108180	LMMHFFF 	C49H65N9O8S2	971.4398	NA	PeJP	NA	NA
+PJ108181	AQHHFFW 	C49H57N13O9	971.4403	NA	PeJP	NA	NA
+PJ108182	SSSSSSTTTK 	C36H65N11O20	971.4407	NA	PeJP	NA	NA
+PJ108183	SSSSSKKMM 	C37H69N11O15S2	971.4416	NA	PeJP	NA	NA
+PJ108184	GPNDEERR 	C37H61N15O16	971.4421	NA	PeJP	NA	NA
+PJ108185	GGGGGGGGGGGPTK 	C37H61N15O16	971.4422	NA	PeJP	NA	NA
+PJ108186	GTTTLMYW 	C45H65N9O13S	971.4423	NA	PeJP	NA	NA
+PJ108187	TCCKKKMM 	C38H73N11O10S4	971.4425	NA	PeJP	NA	NA
+PJ108188	GLFFYYY 	C53H61N7O11	971.4429	NA	PeJP	NA	NA
+PJ108189	GSCCKRRY 	C38H65N15O11S2	971.443	NA	PeJP	NA	NA
+PJ108190	VKMMMFW 	C46H69N9O8S3	971.4432	NA	PeJP	NA	NA
+PJ108191	DDHHHRR 	C38H57N19O12	971.4435	NA	PeJP	NA	NA
+PJ108192	PPCQRWW 	C46H61N13O9S	971.4436	NA	PeJP	NA	NA
+PJ108193	TTTTKEEY 	C41H65N9O18	971.4448	NA	PeJP	NA	NA
+PJ108194	GTLKEMMY 	C42H69N9O13S2	971.4457	NA	PeJP	NA	NA
+PJ108195	PQQEERW 	C42H61N13O14	971.4461	NA	PeJP	NA	NA
+PJ108196	AAAAPDDRW 	C42H61N13O14	971.4462	NA	PeJP	NA	NA
+PJ108197	APCCKKHW 	C43H65N13O9S2	971.447	NA	PeJP	NA	NA
+PJ108198	AEHHHRW 	C43H57N17O10	971.4475	NA	PeJP	NA	NA
+PJ108199	MFFRWW 	C51H61N11O7S	971.4477	NA	PeJP	NA	NA
+PJ108200	SSSNKMRY 	C39H65N13O14S	971.4495	NA	PeJP	NA	NA
+PJ108201	TTLEHWW 	C47H61N11O12	971.4501	NA	PeJP	NA	NA
+PJ108202	PVQQEWW 	C47H61N11O12	971.4502	NA	PeJP	NA	NA
+PJ108203	CLMMRRY 	C40H69N13O9S3	971.4504	NA	PeJP	NA	NA
+PJ108204	SCQHRRW 	C40H61N17O10S	971.4508	NA	PeJP	NA	NA
+PJ108205	GGTCHRRW 	C40H61N17O10S	971.4509	NA	PeJP	NA	NA
+PJ108206	GLHHHWW 	C48H57N15O8	971.4515	NA	PeJP	NA	NA
+PJ108207	SSSNEHRR 	C36H61N17O15	971.4533	NA	PeJP	NA	NA
+PJ108208	GGSSSEHRR 	C36H61N17O15	971.4534	NA	PeJP	NA	NA
+PJ108209	GSTCKKYW 	C44H65N11O12S	971.4535	NA	PeJP	NA	NA
+PJ108210	GGGGGPPPVMF 	C44H65N11O12S	971.4536	NA	PeJP	NA	NA
+PJ108211	AALYYWW 	C52H61N9O10	971.4542	NA	PeJP	NA	NA
+PJ108212	GCKHRWW 	C45H61N15O8S	971.4549	NA	PeJP	NA	NA
+PJ108213	TTTTTERY 	C40H65N11O17	971.456	NA	PeJP	NA	NA
+PJ108214	GGGGPLKEEE 	C40H65N11O17	971.4561	NA	PeJP	NA	NA
+PJ108215	GTTLMMRY 	C41H69N11O12S2	971.4569	NA	PeJP	NA	NA
+PJ108216	SNNRRYY 	C41H61N15O13	971.4573	NA	PeJP	NA	NA
+PJ108217	PNDERRW 	C41H61N15O13	971.4574	NA	PeJP	NA	NA
+PJ108218	PCLKYYW 	C49H65N9O10S	971.4575	NA	PeJP	NA	NA
+PJ108219	GGVLMFYW 	C49H65N9O10S	971.4576	NA	PeJP	NA	NA
+PJ108220	AFFFFFF 	C57H61N7O8	971.4582	NA	PeJP	NA	NA
+PJ108221	STTTTLYW 	C45H65N9O15	971.46	NA	PeJP	NA	NA
+PJ108222	GPLLEEEW 	C45H65N9O15	971.4601	NA	PeJP	NA	NA
+PJ108223	SPPNDMRR 	C38H65N15O13S	971.4607	NA	PeJP	NA	NA
+PJ108224	GGSPPDMRR 	C38H65N15O13S	971.4608	NA	PeJP	NA	NA
+PJ108225	TLKMMYW 	C46H69N9O10S2	971.4609	NA	PeJP	NA	NA
+PJ108226	APQERWW 	C46H61N13O11	971.4614	NA	PeJP	NA	NA
+PJ108227	STTLKEMY 	C42H69N9O15S	971.4634	NA	PeJP	NA	NA
+PJ108228	GVLKMMMY 	C43H73N9O10S3	971.4643	NA	PeJP	NA	NA
+PJ108229	GNNNNQRR 	C35H61N19O14	971.4646	NA	PeJP	NA	NA
+PJ108230	SPMRRYY 	C43H65N13O11S	971.4647	NA	PeJP	NA	NA
+PJ108231	TLEMHRW 	C43H65N13O11S	971.4648	NA	PeJP	NA	NA
+PJ108232	GPLQWWW 	C51H61N11O9	971.4654	NA	PeJP	NA	NA
+PJ108233	CNMHRRR 	C36H65N19O9S2	971.4655	NA	PeJP	NA	NA
+PJ108234	GSSSSTKRY 	C39H65N13O16	971.4672	NA	PeJP	NA	NA
+PJ108235	ASSSSSKRY 	C39H65N13O16	971.4673	NA	PeJP	NA	NA
+PJ108236	GSCKKMRY 	C40H69N13O11S2	971.4681	NA	PeJP	NA	NA
+PJ108237	GGGGPPLMMR 	C40H69N13O11S2	971.4682	NA	PeJP	NA	NA
+PJ108238	GSSSHRRW 	C40H61N17O12	971.4686	NA	PeJP	NA	NA
+PJ108239	SLLMHWW 	C48H65N11O9S	971.4688	NA	PeJP	NA	NA
+PJ108240	SSSSKKYW 	C44H65N11O14	971.4713	NA	PeJP	NA	NA
+PJ108241	GSTQMHRR 	C37H65N17O12S	971.472	NA	PeJP	NA	NA
+PJ108242	AALLMMHW 	C45H69N11O9S2	971.4722	NA	PeJP	NA	NA
+PJ108243	GPDRRWW 	C45H61N15O10	971.4726	NA	PeJP	NA	NA
+PJ108244	STTTLMRY 	C41H69N11O14S	971.4746	NA	PeJP	NA	NA
+PJ108245	GGSTTKKMY 	C41H69N11O14S	971.4747	NA	PeJP	NA	NA
+PJ108246	PLLEEWW 	C49H65N9O12	971.4753	NA	PeJP	NA	NA
+PJ108247	LKMMMRY 	C42H73N11O9S3	971.4755	NA	PeJP	NA	NA
+PJ108248	GPPTCRRW 	C42H65N15O10S	971.476	NA	PeJP	NA	NA
+PJ108249	AAPRWWW 	C50H61N13O8	971.4767	NA	PeJP	NA	NA
+PJ108250	GPTQEERR 	C38H65N15O15	971.4785	NA	PeJP	NA	NA
+PJ108251	SPPLLEMW 	C46H69N9O12S	971.4787	NA	PeJP	NA	NA
+PJ108252	LEMMHRR 	C39H69N15O10S2	971.4794	NA	PeJP	NA	NA
+PJ108253	TEHHHRR 	C39H61N19O11	971.4798	NA	PeJP	NA	NA
+PJ108254	GGGSKHHHR 	C39H61N19O11	971.4799	NA	PeJP	NA	NA
+PJ108255	PPCKRWW 	C47H65N13O8S	971.48	NA	PeJP	NA	NA
+PJ108256	SSSTTTLLY 	C42H69N9O17	971.4812	NA	PeJP	NA	NA
+PJ108257	SSLLKMMY 	C43H73N9O12S2	971.482	NA	PeJP	NA	NA
+PJ108258	AAPPLLEMM 	C43H73N9O12S2	971.4821	NA	PeJP	NA	NA
+PJ108259	PQKEERW 	C43H65N13O13	971.4825	NA	PeJP	NA	NA
+PJ108260	GGGGGGGAALLW 	C43H65N13O13	971.4826	NA	PeJP	NA	NA
+PJ108261	GSTCHRRR 	C36H65N19O11S	971.4832	NA	PeJP	NA	NA
+PJ108262	VLMMHRW 	C44H69N13O8S2	971.4834	NA	PeJP	NA	NA
+PJ108263	GNHFRRW 	C44H61N17O9	971.4839	NA	PeJP	NA	NA
+PJ108264	SSTCKKRY 	C40H69N13O13S	971.4859	NA	PeJP	NA	NA
+PJ108265	PVQKEWW 	C48H65N11O11	971.4865	NA	PeJP	NA	NA
+PJ108266	GGPLKEWW 	C48H65N11O11	971.4866	NA	PeJP	NA	NA
+PJ108267	SCKHRRW 	C41H65N17O9S	971.4872	NA	PeJP	NA	NA
+PJ108268	GSPDERRR 	C37H65N17O14	971.4897	NA	PeJP	NA	NA
+PJ108269	GGGGGVQERR 	C37H65N17O14	971.4898	NA	PeJP	NA	NA
+PJ108270	ATTLLMHW 	C45H69N11O11S	971.4899	NA	PeJP	NA	NA
+PJ108271	PTKFFFW 	C53H65N9O9	971.4906	NA	PeJP	NA	NA
+PJ108272	GSSTTTKKY 	C41H69N11O16	971.4924	NA	PeJP	NA	NA
+PJ108273	GSKKKMMY 	C42H73N11O11S2	971.4933	NA	PeJP	NA	NA
+PJ108274	VQQQQRW 	C42H65N15O12	971.4937	NA	PeJP	NA	NA
+PJ108275	PTQERRW 	C42H65N15O12	971.4938	NA	PeJP	NA	NA
+PJ108276	VVKMFYW 	C50H69N9O9S	971.4939	NA	PeJP	NA	NA
+PJ108277	SPVLLEEW 	C46H69N9O14	971.4964	NA	PeJP	NA	NA
+PJ108278	GPPVVVEEF 	C46H69N9O14	971.4965	NA	PeJP	NA	NA
+PJ108279	GPVQEMRR 	C39H69N15O12S	971.4971	NA	PeJP	NA	NA
+PJ108280	GGGGGGPVKMR 	C39H69N15O12S	971.4972	NA	PeJP	NA	NA
+PJ108281	PPVVLMMW 	C47H73N9O9S2	971.4973	NA	PeJP	NA	NA
+PJ108282	APKERWW 	C47H65N13O10	971.4978	NA	PeJP	NA	NA
+PJ108283	VMHHHRR 	C40H65N19O8S	971.4985	NA	PeJP	NA	NA
+PJ108284	PLLLQEEM 	C43H73N9O14S	971.4998	NA	PeJP	NA	NA
+PJ108285	SSSSHRRR 	C36H65N19O13	971.501	NA	PeJP	NA	NA
+PJ108286	DKKKMHW 	C44H69N13O10S	971.5011	NA	PeJP	NA	NA
+PJ108287	GPPTKMRW 	C44H69N13O10S	971.5012	NA	PeJP	NA	NA
+PJ108288	GPLKWWW 	C52H65N11O8	971.5018	NA	PeJP	NA	NA
+PJ108289	AVLQQEER 	C40H69N13O15	971.5036	NA	PeJP	NA	NA
+PJ108290	GPKKEEER 	C40H69N13O15	971.5037	NA	PeJP	NA	NA
+PJ108291	ATLLMMHR 	C41H73N13O10S2	971.5045	NA	PeJP	NA	NA
+PJ108292	SPDRRRW 	C41H65N17O11	971.505	NA	PeJP	NA	NA
+PJ108293	PPKKMWW 	C49H69N11O8S	971.5052	NA	PeJP	NA	NA
+PJ108294	TTTTLLHW 	C45H69N11O13	971.5077	NA	PeJP	NA	NA
+PJ108295	PQEMRRR 	C38H69N17O11S	971.5084	NA	PeJP	NA	NA
+PJ108296	LKMMFFR 	C46H73N11O8S2	971.5085	NA	PeJP	NA	NA
+PJ108297	APTRRWW 	C46H65N15O9	971.509	NA	PeJP	NA	NA
+PJ108298	SSTKKKMY 	C42H73N11O13S	971.511	NA	PeJP	NA	NA
+PJ108299	PVVLEEMR 	C42H73N11O13S	971.5111	NA	PeJP	NA	NA
+PJ108300	SLLKYYW 	C50H69N9O11	971.5117	NA	PeJP	NA	NA
+PJ108301	PVQMRRW 	C43H69N15O9S	971.5124	NA	PeJP	NA	NA
+PJ108302	GPTKEERR 	C39H69N15O14	971.5149	NA	PeJP	NA	NA
+PJ108303	APLLLEMW 	C47H73N9O11S	971.5151	NA	PeJP	NA	NA
+PJ108304	GPPKMMRR 	C40H73N15O9S2	971.5158	NA	PeJP	NA	NA
+PJ108305	GNQRRRW 	C40H65N19O10	971.5162	NA	PeJP	NA	NA
+PJ108306	VLLLQEEE 	C43H73N9O16	971.5176	NA	PeJP	NA	NA
+PJ108307	GPPTLLLMM 	C44H77N9O11S2	971.5184	NA	PeJP	NA	NA
+PJ108308	PKKEERW 	C44H69N13O12	971.5189	NA	PeJP	NA	NA
+PJ108309	PCERRRR 	C37H69N19O10S	971.5196	NA	PeJP	NA	NA
+PJ108310	TTTLLMHR 	C41H73N13O12S	971.5223	NA	PeJP	NA	NA
+PJ108311	PVKKEWW 	C49H69N11O10	971.5229	NA	PeJP	NA	NA
+PJ108312	APMRRRW 	C42H69N17O8S	971.5236	NA	PeJP	NA	NA
+PJ108313	VQEERRR 	C38H69N17O13	971.5261	NA	PeJP	NA	NA
+PJ108314	GGGGGGGAAKKR 	C38H69N17O13	971.5262	NA	PeJP	NA	NA
+PJ108315	SPPVKKMW 	C46H73N11O10S	971.5263	NA	PeJP	NA	NA
+PJ108316	VVKFFFW 	C54H69N9O8	971.527	NA	PeJP	NA	NA
+PJ108317	PNHHRRR 	C39H65N21O9	971.5275	NA	PeJP	NA	NA
+PJ108318	ALLLEEER 	C42H73N11O15	971.5288	NA	PeJP	NA	NA
+PJ108319	SLLLKMMH 	C43H77N11O10S2	971.5297	NA	PeJP	NA	NA
+PJ108320	PTKERRW 	C43H69N15O11	971.5301	NA	PeJP	NA	NA
+PJ108321	GGVLERRW 	C43H69N15O11	971.5302	NA	PeJP	NA	NA
+PJ108322	GLLLLEEW 	C47H73N9O13	971.5328	NA	PeJP	NA	NA
+PJ108323	GPVKEMRR 	C40H73N15O11S	971.5335	NA	PeJP	NA	NA
+PJ108324	SPLKRWW 	C48H69N13O9	971.5342	NA	PeJP	NA	NA
+PJ108325	PLLLKEEM 	C44H77N9O13S	971.5362	NA	PeJP	NA	NA
+PJ108326	TQQQRRR 	C37H69N19O12	971.5373	NA	PeJP	NA	NA
+PJ108327	AEERRRR 	C37H69N19O12	971.5374	NA	PeJP	NA	NA
+PJ108328	AAPLKMRW 	C45H73N13O9S	971.5375	NA	PeJP	NA	NA
+PJ108329	SPVKKEER 	C41H73N13O14	971.54	NA	PeJP	NA	NA
+PJ108330	GGALLKEER 	C41H73N13O14	971.5401	NA	PeJP	NA	NA
+PJ108331	PPCLKKMR 	C42H77N13O9S2	971.5409	NA	PeJP	NA	NA
+PJ108332	GLERRRW 	C42H69N17O10	971.5414	NA	PeJP	NA	NA
+PJ108333	APTLKKEW 	C46H73N11O12	971.5441	NA	PeJP	NA	NA
+PJ108334	PKEMRRR 	C39H73N17O10S	971.5448	NA	PeJP	NA	NA
+PJ108335	GVLRRWW 	C47H69N15O8	971.5454	NA	PeJP	NA	NA
+PJ108336	PTLLLEMR 	C43H77N11O12S	971.5474	NA	PeJP	NA	NA
+PJ108337	GGGGAALLLLM 	C43H77N11O12S	971.5475	NA	PeJP	NA	NA
+PJ108338	LLLLEWW 	C51H73N9O10	971.5481	NA	PeJP	NA	NA
+PJ108339	SNQRRRR 	C36H69N21O11	971.5486	NA	PeJP	NA	NA
+PJ108340	PVKMRRW 	C44H73N15O8S	971.5488	NA	PeJP	NA	NA
+PJ108341	AALKEERR 	C40H73N15O13	971.5513	NA	PeJP	NA	NA
+PJ108342	SPLLLLMW 	C48H77N9O10S	971.5515	NA	PeJP	NA	NA
+PJ108343	GNKRRRW 	C41H69N19O9	971.5526	NA	PeJP	NA	NA
+PJ108344	SSPTLLLLE 	C44H77N9O15	971.5539	NA	PeJP	NA	NA
+PJ108345	VLLLKEEE 	C44H77N9O15	971.554	NA	PeJP	NA	NA
+PJ108346	AAPLLLLMM 	C45H81N9O10S2	971.5548	NA	PeJP	NA	NA
+PJ108347	LLQKERW 	C45H73N13O11	971.5553	NA	PeJP	NA	NA
+PJ108348	PTMRRRR 	C38H73N19O9S	971.556	NA	PeJP	NA	NA
+PJ108349	LRRRWW 	C46H69N17O7	971.5566	NA	PeJP	NA	NA
+PJ108350	APLKKEMR 	C42H77N13O11S	971.5587	NA	PeJP	NA	NA
+PJ108351	VLLQKWW 	C50H73N11O9	971.5593	NA	PeJP	NA	NA
+PJ108352	VKEERRR 	C39H73N17O12	971.5625	NA	PeJP	NA	NA
+PJ108353	GPLLKKMW 	C47H77N11O9S	971.5627	NA	PeJP	NA	NA
+PJ108354	SLLLLEER 	C43H77N11O14	971.5652	NA	PeJP	NA	NA
+PJ108355	PVLLLMMR 	C44H81N11O9S2	971.5661	NA	PeJP	NA	NA
+PJ108356	VVKERRW 	C44H73N15O10	971.5665	NA	PeJP	NA	NA
+PJ108357	SVLLLLEW 	C48H77N9O12	971.5692	NA	PeJP	NA	NA
+PJ108358	APTLKMRR 	C41H77N15O10S	971.5699	NA	PeJP	NA	NA
+PJ108359	ALLKRWW 	C49H73N13O8	971.5706	NA	PeJP	NA	NA
+PJ108360	LLLLLQEM 	C45H81N9O12S	971.5726	NA	PeJP	NA	NA
+PJ108361	SLERRRR 	C38H73N19O11	971.5737	NA	PeJP	NA	NA
+PJ108362	GGDKKRRR 	C38H73N19O11	971.5738	NA	PeJP	NA	NA
+PJ108363	GLLKKEER 	C42H77N13O13	971.5764	NA	PeJP	NA	NA
+PJ108364	SVLRRRW 	C43H73N17O9	971.5778	NA	PeJP	NA	NA
+PJ108365	AVVLKKEW 	C47H77N11O11	971.5804	NA	PeJP	NA	NA
+PJ108366	GVLLKKEW 	C47H77N11O11	971.5805	NA	PeJP	NA	NA
+PJ108367	LLQMRRR 	C40H77N17O9S	971.5811	NA	PeJP	NA	NA
+PJ108368	VVLLLEMR 	C44H81N11O11S	971.5838	NA	PeJP	NA	NA
+PJ108369	APLLLLFW 	C52H77N9O9	971.5845	NA	PeJP	NA	NA
+PJ108370	SNKRRRR 	C37H73N21O10	971.585	NA	PeJP	NA	NA
+PJ108371	GTLLKERR 	C41H77N15O12	971.5877	NA	PeJP	NA	NA
+PJ108372	ALLLLLMW 	C49H81N9O9S	971.5878	NA	PeJP	NA	NA
+PJ108373	GTTLLLLLE 	C45H81N9O14	971.5903	NA	PeJP	NA	NA
+PJ108374	LLKKERW 	C46H77N13O10	971.5917	NA	PeJP	NA	NA
+PJ108375	VVMRRRR 	C39H77N19O8S	971.5924	NA	PeJP	NA	NA
+PJ108376	SPLLKKMR 	C43H81N13O10S	971.595	NA	PeJP	NA	NA
+PJ108377	PVTLKKMR 	C43H81N13O10S	971.5951	NA	PeJP	NA	NA
+PJ108378	VLLKKWW 	C51H77N11O8	971.5957	NA	PeJP	NA	NA
+PJ108379	GTTLLRRR 	C40H77N17O11	971.5989	NA	PeJP	NA	NA
+PJ108380	VVLKKKEE 	C44H81N11O13	971.6016	NA	PeJP	NA	NA
+PJ108381	TLLKRRW 	C45H77N15O9	971.6029	NA	PeJP	NA	NA
+PJ108382	TTLLLLLW 	C49H81N9O11	971.6056	NA	PeJP	NA	NA
+PJ108383	GVLLKMRR 	C42H81N15O9S	971.6063	NA	PeJP	NA	NA
+PJ108384	LLLLLKEM 	C46H85N9O11S	971.609	NA	PeJP	NA	NA
+PJ108385	TQKKRRR 	C39H77N19O10	971.6101	NA	PeJP	NA	NA
+PJ108386	SVLLKKER 	C43H81N13O12	971.6128	NA	PeJP	NA	NA
+PJ108387	AKKKRRW 	C44H77N17O8	971.6141	NA	PeJP	NA	NA
+PJ108388	PLKFRRR 	C44H77N17O8	971.6142	NA	PeJP	NA	NA
+PJ108389	ATLLLKKW 	C48H81N11O10	971.6168	NA	PeJP	NA	NA
+PJ108390	LLKMRRR 	C41H81N17O8S	971.6175	NA	PeJP	NA	NA
+PJ108391	TLLLLLMR 	C45H85N11O10S	971.6202	NA	PeJP	NA	NA
+PJ108392	SSLLLKRR 	C42H81N15O11	971.624	NA	PeJP	NA	NA
+PJ108393	GAATLKKKR 	C42H81N15O11	971.6241	NA	PeJP	NA	NA
+PJ108394	SSTLLLLLL 	C46H85N9O13	971.6267	NA	PeJP	NA	NA
+PJ108395	AALKKKKW 	C47H81N13O9	971.6281	NA	PeJP	NA	NA
+PJ108396	ALLLKKMR 	C44H85N13O9S	971.6314	NA	PeJP	NA	NA
+PJ108397	KKKKERR 	C41H81N17O10	971.6353	NA	PeJP	NA	NA
+PJ108398	TLLLKKKE 	C45H85N11O12	971.638	NA	PeJP	NA	NA
+PJ108399	VKKKKRW 	C46H81N15O8	971.6393	NA	PeJP	NA	NA
+PJ108400	PLLLLLKY 	C50H85N9O10	971.642	NA	PeJP	NA	NA
+PJ108401	TKKKRRR 	C40H81N19O9	971.6465	NA	PeJP	NA	NA
+PJ108402	TTLLLKKR 	C44H85N13O11	971.6492	NA	PeJP	NA	NA
+PJ108403	VVLLLLFR 	C49H85N11O9	971.6532	NA	PeJP	NA	NA
+PJ108404	VLLLKKKM 	C46H89N11O9S	971.6566	NA	PeJP	NA	NA
+PJ108405	ATLKKKKR 	C43H85N15O10	971.6604	NA	PeJP	NA	NA
+MJ098941	Copiamycin; 21-O-Demalonyl 	C51H93N3O14	971.665754	NA	MeJP	NA	NA
+PJ108406	LLLLLLKF 	C51H89N9O9	971.6784	NA	PeJP	NA	NA
+PJ108407	SLLKKKKK 	C45H89N13O10	971.6856	NA	PeJP	NA	NA
+PJ108408	GKKKKKKK 	C44H89N15O9	971.6968	NA	PeJP	NA	NA
+HMDB04837	Galabiosylceramide (d18:1/24:1(15Z))	C54H101NO13	971.72729	http://www.hmdb.ca/metabolites/HMDB04837	HMDB	NA	NA
+HMDB04872	Lactosylceramide (d18:1/24:1(15Z))	C54H101NO13	971.72729	http://www.hmdb.ca/metabolites/HMDB04872	HMDB	NA	NA
+HMDB04837	Galabiosylceramide (d18:1/24:1(15Z))	C54H101NO13	971.72729	HMDB04837	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04872	Lactosylceramide (d18:1/24:1(15Z))	C54H101NO13	971.72729	HMDB04872	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04837	Galabiosylceramide (d18:1/24:1(15Z))	C54H101NO13	971.727295	NA	HMDB2010	NA	NA
+HMDB04872	Lactosylceramide (d18:1/24:1(15Z))	C54H101NO13	971.727295	NA	HMDB2010	NA	NA
+2680	NA	VGNYMCHFGPITWVCRPGGG	971.96415	MH2+	Inhouse_peptide	NA	peptide
+MJ098942	Eumaculin E 	C41H32O28	972.10801	NA	MeJP	NA	NA
+MJ098943	Neochebulagic acid 	C41H32O28	972.10801	NA	MeJP	NA	NA
+PJ108409	GCCCCCNMH 	C32H52N12O11S6	972.2203	NA	PeJP	NA	NA
+PJ108410	GCCCNDDDE 	C32H48N10O19S3	972.226	NA	PeJP	NA	NA
+PJ108411	CCCCCEFY 	C38H52N8O12S5	972.2309	NA	PeJP	NA	NA
+PJ108412	SSCCCCCQH 	C32H52N12O13S5	972.2381	NA	PeJP	NA	NA
+PJ108413	CCCNDDDW 	C36H48N10O16S3	972.2412	NA	PeJP	NA	NA
+PJ108414	SSCCNDDDD 	C32H48N10O21S2	972.2437	NA	PeJP	NA	NA
+PJ108415	SPCCCCNDE 	C33H52N10O16S4	972.2446	NA	PeJP	NA	NA
+PJ108416	CCCDMMMH 	C34H56N10O11S6	972.2455	NA	PeJP	NA	NA
+PJ108417	SCCCCEYY 	C38H52N8O14S4	972.2486	NA	PeJP	NA	NA
+PJ108418	CDDDDEMM 	C34H52N8O19S3	972.2511	NA	PeJP	NA	NA
+PJ108419	GSSSSCCCCH 	C32H52N12O15S4	972.2558	NA	PeJP	NA	NA
+PJ108420	GGGGGCCCNDM 	C32H52N12O15S4	972.2559	NA	PeJP	NA	NA
+PJ108421	ACCCCCCKH 	C33H56N12O10S6	972.2567	NA	PeJP	NA	NA
+PJ108422	GSPCCCCDW 	C37H52N10O13S4	972.2599	NA	PeJP	NA	NA
+PJ108423	GSCCNDDEM 	C33H52N10O18S3	972.2624	NA	PeJP	NA	NA
+PJ108424	GPCCCNDMM 	C34H56N10O13S5	972.2632	NA	PeJP	NA	NA
+PJ108425	CCCCMHHH 	C35H52N14O9S5	972.2646	NA	PeJP	NA	NA
+PJ108426	CDDDDDEF 	C37H48N8O21S	972.2655	NA	PeJP	NA	NA
+PJ108427	GCCCMMYY 	C39H56N8O11S5	972.2672	NA	PeJP	NA	NA
+PJ108428	CCDDDEHH 	C35H48N12O17S2	972.2702	NA	PeJP	NA	NA
+PJ108429	CCCCNNQW 	C36H52N12O12S4	972.2711	NA	PeJP	NA	NA
+PJ108430	GSCCCDDDR 	C32H52N12O17S3	972.2736	NA	PeJP	NA	NA
+PJ108431	GPCCCCCER 	C33H56N12O12S5	972.2745	NA	PeJP	NA	NA
+PJ108432	CNNDDDDY 	C36H48N10O20S	972.2767	NA	PeJP	NA	NA
+PJ108433	GGCNDDDDY 	C36H48N10O20S	972.2768	NA	PeJP	NA	NA
+PJ108434	SCCNDDMW 	C37H52N10O15S3	972.2776	NA	PeJP	NA	NA
+PJ108435	PCCCCQMW 	C38H56N10O10S5	972.2785	NA	PeJP	NA	NA
+PJ108436	SSSCNDDDM 	C33H52N10O20S2	972.2801	NA	PeJP	NA	NA
+PJ108437	CNNDDMMM 	C34H56N10O15S4	972.281	NA	PeJP	NA	NA
+PJ108438	GCCCDFYY 	C42H52N8O13S3	972.2816	NA	PeJP	NA	NA
+PJ108439	SCCMMMMH 	C35H60N10O10S6	972.2819	NA	PeJP	NA	NA
+PJ108440	GPCCCCNHH 	C35H52N14O11S4	972.2823	NA	PeJP	NA	NA
+PJ108441	SDDDDDEY 	C37H48N8O23	972.2833	NA	PeJP	NA	NA
+PJ108442	PCDDDDMY 	C38H52N8O18S2	972.2841	NA	PeJP	NA	NA
+PJ108443	STCCCMYY 	C39H56N8O13S4	972.285	NA	PeJP	NA	NA
+PJ108444	SDDDEMMM 	C35H56N8O18S3	972.2875	NA	PeJP	NA	NA
+PJ108445	PCDDMMMM 	C36H60N8O13S5	972.2884	NA	PeJP	NA	NA
+PJ108446	GSSCCCNNW 	C36H52N12O14S3	972.2888	NA	PeJP	NA	NA
+PJ108447	GGGSSCCCNW 	C36H52N12O14S3	972.2889	NA	PeJP	NA	NA
+PJ108448	PCCCCCRW 	C37H56N12O9S5	972.2897	NA	PeJP	NA	NA
+PJ108449	GSSSSCCNND 	C32H52N12O19S2	972.2913	NA	PeJP	NA	NA
+PJ108450	GGGSSSSCCND 	C32H52N12O19S2	972.2914	NA	PeJP	NA	NA
+PJ108451	CCCNDEMR 	C33H56N12O14S4	972.2922	NA	PeJP	NA	NA
+PJ108452	GSCCCEWW 	C41H52N10O12S3	972.2929	NA	PeJP	NA	NA
+PJ108453	GSSSCCDEW 	C37H52N10O17S2	972.2954	NA	PeJP	NA	NA
+PJ108454	GCCNEMMW 	C38H56N10O12S4	972.2962	NA	PeJP	NA	NA
+PJ108455	GGGCCEMMW 	C38H56N10O12S4	972.2963	NA	PeJP	NA	NA
+PJ108456	GSSSSSCDDE 	C33H52N10O22S	972.2979	NA	PeJP	NA	NA
+PJ108457	GSSCNDEMM 	C34H56N10O17S3	972.2987	NA	PeJP	NA	NA
+PJ108458	GGGSSCDEMM 	C34H56N10O17S3	972.2988	NA	PeJP	NA	NA
+PJ108459	GSCCDYYY 	C42H52N8O15S2	972.2994	NA	PeJP	NA	NA
+PJ108460	GSPCCNMMM 	C35H60N10O12S5	972.2996	NA	PeJP	NA	NA
+PJ108461	CCNNDMHH 	C35H52N14O13S3	972.3001	NA	PeJP	NA	NA
+PJ108462	GCCCMFFY 	C43H56N8O10S4	972.3003	NA	PeJP	NA	NA
+PJ108463	GDDDEEMY 	C38H52N8O20S	972.3019	NA	PeJP	NA	NA
+PJ108464	PCDDDMMF 	C39H56N8O15S3	972.3028	NA	PeJP	NA	NA
+PJ108465	ASCCCCNNR 	C32H56N14O13S4	972.3034	NA	PeJP	NA	NA
+PJ108466	CCCCDDRR 	C32H56N14O13S4	972.3035	NA	PeJP	NA	NA
+PJ108467	NNDDDDEH 	C35H48N12O21	972.3057	NA	PeJP	NA	NA
+PJ108468	GGNDDDDEH 	C35H48N12O21	972.3058	NA	PeJP	NA	NA
+PJ108469	GDEEMMMM 	C36H60N8O15S4	972.3061	NA	PeJP	NA	NA
+PJ108470	CCNNNNEY 	C36H52N12O16S2	972.3066	NA	PeJP	NA	NA
+PJ108471	GCCCDMRW 	C37H56N12O11S4	972.3075	NA	PeJP	NA	NA
+PJ108472	SCCCWWW 	C45H52N10O9S3	972.3081	NA	PeJP	NA	NA
+PJ108473	GSSCCDDMR 	C33H56N12O16S3	972.31	NA	PeJP	NA	NA
+PJ108474	SSSCCDWW 	C41H52N10O14S2	972.3106	NA	PeJP	NA	NA
+PJ108475	GPTCCCCMR 	C34H60N12O11S5	972.3109	NA	PeJP	NA	NA
+PJ108476	CCNMMWW 	C42H56N10O9S4	972.3115	NA	PeJP	NA	NA
+PJ108477	SSSSSCDDW 	C37H52N10O19S	972.3131	NA	PeJP	NA	NA
+PJ108478	SSCNDMMW 	C38H56N10O14S3	972.314	NA	PeJP	NA	NA
+PJ108479	PCCCCKMW 	C39H60N10O9S5	972.3149	NA	PeJP	NA	NA
+PJ108480	GCCCQHHW 	C39H52N14O10S3	972.3153	NA	PeJP	NA	NA
+PJ108481	GGACCCHHW 	C39H52N14O10S3	972.3154	NA	PeJP	NA	NA
+PJ108482	SSSSSSSDDD 	C33H52N10O24	972.3156	NA	PeJP	NA	NA
+PJ108483	SSSSNDDMM 	C34H56N10O19S2	972.3165	NA	PeJP	NA	NA
+MJ098944	?-Cyclodextrin 	C36H60O30	972.31694	NA	MeJP	NA	NA
+MetaCyc04354	&alpha;-cyclodextrin [alfadex;cyclohexaamylose;cyclomaltohexaose;cyclomaltohexose;&alpha;-cycloamylose;cyclohexapentylose;&alpha;-dextrin;]	C36H60O30	972.316941	10016-20-3	metacyc	NA	NA
+PJ108484	DDDEMYW 	C42H52N8O17S	972.3171	NA	PeJP	NA	NA
+PJ108485	PCDDDDFF 	C42H52N8O17S	972.3172	NA	PeJP	NA	NA
+PJ108486	SNNDMMMM 	C35H60N10O14S4	972.3174	NA	PeJP	NA	NA
+PJ108487	GSSCCNEHH 	C35H52N14O15S2	972.3178	NA	PeJP	NA	NA
+PJ108488	GGGSSCCEHH 	C35H52N14O15S2	972.3179	NA	PeJP	NA	NA
+PJ108489	CCQMYYY 	C43H56N8O12S3	972.318	NA	PeJP	NA	NA
+PJ108490	SSDDEEEY 	C38H52N8O22	972.3197	NA	PeJP	NA	NA
+PJ108491	SPDDDMMY 	C39H56N8O17S2	972.3205	NA	PeJP	NA	NA
+PJ108492	GNDDDDHW 	C39H48N12O18	972.321	NA	PeJP	NA	NA
+PJ108493	SSSCCCNNR 	C32H56N14O15S3	972.3212	NA	PeJP	NA	NA
+PJ108494	DEMMMMW 	C40H60N8O12S4	972.3214	NA	PeJP	NA	NA
+PJ108495	GCCNNNYW 	C40H52N12O13S2	972.3219	NA	PeJP	NA	NA
+PJ108496	SSEEEMMM 	C36H60N8O17S3	972.3239	NA	PeJP	NA	NA
+PJ108497	GSSCNNNDY 	C36H52N12O18S	972.3244	NA	PeJP	NA	NA
+PJ108498	SPDMMMMM 	C37H64N8O12S5	972.3248	NA	PeJP	NA	NA
+PJ108499	SSCCCERW 	C37H56N12O13S3	972.3252	NA	PeJP	NA	NA
+PJ108500	GGGGGGCCQMF 	C37H56N12O13S3	972.3253	NA	PeJP	NA	NA
+PJ108501	CCNDFWW 	C45H52N10O11S2	972.3259	NA	PeJP	NA	NA
+PJ108502	PCCCHHHH 	C38H52N16O9S3	972.3266	NA	PeJP	NA	NA
+PJ108503	SSSSCCDER 	C33H56N12O18S2	972.3277	NA	PeJP	NA	NA
+PJ108504	GSCNDEYW 	C41H52N10O16S	972.3284	NA	PeJP	NA	NA
+PJ108505	SCCNEMMR 	C34H60N12O13S4	972.3286	NA	PeJP	NA	NA
+PJ108506	CCCRYYY 	C42H56N10O11S3	972.3292	NA	PeJP	NA	NA
+PJ108507	GSTCCMWW 	C42H56N10O11S3	972.3293	NA	PeJP	NA	NA
+PJ108508	GSSSNDDEY 	C37H52N10O21	972.3309	NA	PeJP	NA	NA
+PJ108509	ASSSTCCEW 	C38H56N10O16S2	972.3317	NA	PeJP	NA	NA
+PJ108510	GSSSSCEMW 	C38H56N10O16S2	972.3318	NA	PeJP	NA	NA
+PJ108511	GSCQMMMW 	C39H60N10O11S4	972.3326	NA	PeJP	NA	NA
+PJ108512	SSCCNHHW 	C39H52N14O12S2	972.3331	NA	PeJP	NA	NA
+PJ108513	GCCCFFFF 	C47H56N8O9S3	972.3333	NA	PeJP	NA	NA
+PJ108514	ASSSSSSDDM 	C34H56N10O21S	972.3342	NA	PeJP	NA	NA
+PJ108515	GSSSSSSDEM 	C34H56N10O21S	972.3343	NA	PeJP	NA	NA
+PJ108516	GPDDDEYY 	C42H52N8O19	972.3349	NA	PeJP	NA	NA
+PJ108517	GSSSNEMMM 	C35H60N10O16S3	972.3351	NA	PeJP	NA	NA
+PJ108518	SSSSCNDHH 	C35H52N14O17S	972.3356	NA	PeJP	NA	NA
+PJ108519	DDEMMFW 	C43H56N8O14S2	972.3358	NA	PeJP	NA	NA
+PJ108520	GNQMMMMM 	C36H64N10O11S5	972.336	NA	PeJP	NA	NA
+PJ108521	CCCNNNFR 	C36H56N14O12S3	972.3365	NA	PeJP	NA	NA
+PJ108522	GSEEEEMY 	C39H56N8O19S	972.3383	NA	PeJP	NA	NA
+PJ108523	GPDEMMMY 	C40H60N8O14S3	972.3392	NA	PeJP	NA	NA
+PJ108524	SPCNDDHW 	C40H52N12O15S	972.3396	NA	PeJP	NA	NA
+PJ108525	SCCCDMRR 	C33H60N14O12S4	972.3398	NA	PeJP	NA	NA
+PJ108526	GGGSCCCCKR 	C33H60N14O12S4	972.3399	NA	PeJP	NA	NA
+PJ108527	CEMMHHW 	C41H56N12O10S3	972.3405	NA	PeJP	NA	NA
+PJ108528	SNNDEEEH 	C36H52N12O20	972.3421	NA	PeJP	NA	NA
+PJ108529	ATEEMMMM 	C37H64N8O14S4	972.3425	NA	PeJP	NA	NA
+PJ108530	GCNDDMRY 	C37H56N12O15S2	972.343	NA	PeJP	NA	NA
+PJ108531	APMMMMMM 	C38H68N8O9S6	972.3434	NA	PeJP	NA	NA
+PJ108532	SCNDYWW 	C45H52N10O13S	972.3436	NA	PeJP	NA	NA
+PJ108533	GSCCMMRW 	C38H60N12O10S4	972.3439	NA	PeJP	NA	NA
+PJ108534	GCDMHHHH 	C38H52N16O11S2	972.3443	NA	PeJP	NA	NA
+PJ108535	CCMHFFW 	C46H56N10O8S3	972.3445	NA	PeJP	NA	NA
+PJ108536	SSSSSSSCNQ 	C33H56N12O20S	972.3455	NA	PeJP	NA	NA
+PJ108537	SSSNDDYW 	C41H52N10O18	972.3461	NA	PeJP	NA	NA
+PJ108538	PPNDDDDW 	C41H52N10O18	972.3462	NA	PeJP	NA	NA
+PJ108539	GSSSCDMMR 	C34H60N12O15S3	972.3464	NA	PeJP	NA	NA
+PJ108540	GSCNNNNNH 	C34H52N16O16S	972.3468	NA	PeJP	NA	NA
+PJ108541	GGGGGGGSCNNH 	C34H52N16O16S	972.3469	NA	PeJP	NA	NA
+PJ108542	SSSSCMWW 	C42H56N10O13S2	972.347	NA	PeJP	NA	NA
+PJ108543	GCNMMMMR 	C35H64N12O10S5	972.3472	NA	PeJP	NA	NA
+PJ108544	SCCCQHHR 	C35H56N16O11S3	972.3477	NA	PeJP	NA	NA
+PJ108545	SSSSSSDMW 	C38H56N10O18S	972.3495	NA	PeJP	NA	NA
+PJ108546	PDDDYYW 	C46H52N8O16	972.3502	NA	PeJP	NA	NA
+PJ108547	SSSNMMMW 	C39H60N10O13S3	972.3504	NA	PeJP	NA	NA
+PJ108548	GCNNNEHW 	C39H52N14O14S	972.3509	NA	PeJP	NA	NA
+PJ108549	CCQFFYY 	C47H56N8O11S2	972.351	NA	PeJP	NA	NA
+PJ108550	GCCCKHHW 	C40H56N14O9S3	972.3517	NA	PeJP	NA	NA
+PJ108551	SSSSSSSSEE 	C34H56N10O23	972.352	NA	PeJP	NA	NA
+PJ108552	SSSSSQEMM 	C35H60N10O18S2	972.3529	NA	PeJP	NA	NA
+PJ108553	SNDDDDHR 	C35H52N14O19	972.3534	NA	PeJP	NA	NA
+PJ108554	SEEEMYW 	C43H56N8O16S	972.3535	NA	PeJP	NA	NA
+PJ108555	SSQQMMMM 	C36H64N10O13S4	972.3537	NA	PeJP	NA	NA
+PJ108556	AASSNMMMM 	C36H64N10O13S4	972.3538	NA	PeJP	NA	NA
+PJ108557	SCCNNNRY 	C36H56N14O14S2	972.3542	NA	PeJP	NA	NA
+PJ108558	GGGGGGGSPCMH 	C36H56N14O14S2	972.3543	NA	PeJP	NA	NA
+PJ108559	PDMMMYW 	C44H60N8O11S3	972.3544	NA	PeJP	NA	NA
+PJ108560	CDEHHFW 	C44H52N12O12S	972.3549	NA	PeJP	NA	NA
+PJ108561	SSTEEEEY 	C39H56N8O21	972.356	NA	PeJP	NA	NA
+PJ108562	PPDEEEEE 	C39H56N8O21	972.3561	NA	PeJP	NA	NA
+PJ108563	AAEEEMMY 	C40H60N8O16S2	972.3569	NA	PeJP	NA	NA
+PJ108564	GSNDEEHW 	C40H52N12O17	972.3574	NA	PeJP	NA	NA
+PJ108565	PPTCMMMY 	C41H64N8O11S4	972.3578	NA	PeJP	NA	NA
+PJ108566	CCNERYW 	C41H56N12O12S2	972.3582	NA	PeJP	NA	NA
+PJ108567	GGCCERYW 	C41H56N12O12S2	972.3583	NA	PeJP	NA	NA
+PJ108568	ACCCMMRR 	C34H64N14O9S5	972.3585	NA	PeJP	NA	NA
+PJ108569	TTTEEMMM 	C37H64N8O16S3	972.3603	NA	PeJP	NA	NA
+PJ108570	SSCNDERY 	C37H56N12O17S	972.3607	NA	PeJP	NA	NA
+PJ108571	GGSSCDERY 	C37H56N12O17S	972.3608	NA	PeJP	NA	NA
+PJ108572	PTTMMMMM 	C38H68N8O11S5	972.3611	NA	PeJP	NA	NA
+PJ108573	GLEMMMMM 	C38H68N8O11S5	972.3612	NA	PeJP	NA	NA
+PJ108574	NNDDFYW 	C45H52N10O15	972.3614	NA	PeJP	NA	NA
+PJ108575	SSTCCMRW 	C38H60N12O12S3	972.3616	NA	PeJP	NA	NA
+PJ108576	SSCEHHHH 	C38H52N16O13S	972.3621	NA	PeJP	NA	NA
+PJ108577	GCQMYWW 	C46H56N10O10S2	972.3623	NA	PeJP	NA	NA
+PJ108578	GSSSSSSSSSN 	C33H56N12O22	972.3632	NA	PeJP	NA	NA
+PJ108579	SSSSSCEMR 	C34H60N12O17S2	972.3641	NA	PeJP	NA	NA
+PJ108580	GSSNEMYW 	C42H56N10O15S	972.3648	NA	PeJP	NA	NA
+PJ108581	SSCQMMMR 	C35H64N12O12S4	972.365	NA	PeJP	NA	NA
+PJ108582	GSSSCCHHR 	C35H56N16O13S2	972.3655	NA	PeJP	NA	NA
+PJ108583	APCCCKYW 	C43H60N10O10S3	972.3656	NA	PeJP	NA	NA
+PJ108584	GGGCCLMFW 	C43H60N10O10S3	972.3657	NA	PeJP	NA	NA
+PJ108585	CNNNHWW 	C43H52N14O11S	972.3661	NA	PeJP	NA	NA
+PJ108586	GSSSSQEEY 	C38H56N10O20	972.3673	NA	PeJP	NA	NA
+PJ108587	GSSSSTMMW 	C39H60N10O15S2	972.3681	NA	PeJP	NA	NA
+PJ108588	GGGGATEMMY 	C39H60N10O15S2	972.3682	NA	PeJP	NA	NA
+PJ108589	SSNNNDHW 	C39H52N14O16	972.3686	NA	PeJP	NA	NA
+PJ108590	PDDMFYW 	C47H56N8O13S	972.3688	NA	PeJP	NA	NA
+PJ108591	GSCKMMMW 	C40H64N10O10S4	972.369	NA	PeJP	NA	NA
+PJ108592	GPCCDHRW 	C40H56N14O11S2	972.3695	NA	PeJP	NA	NA
+PJ108593	GSSSSSTTEM 	C35H60N10O20S	972.3706	NA	PeJP	NA	NA
+PJ108594	GSPEEEYY 	C43H56N8O18	972.3713	NA	PeJP	NA	NA
+PJ108595	GSSSDKMMM 	C36H64N10O15S3	972.3715	NA	PeJP	NA	NA
+PJ108596	GNDDEMHR 	C36H56N14O16S	972.372	NA	PeJP	NA	NA
+PJ108597	VDEMMYW 	C44H60N8O13S2	972.3722	NA	PeJP	NA	NA
+PJ108598	GNKMMMMM 	C37H68N10O10S5	972.3724	NA	PeJP	NA	NA
+PJ108599	SNDEHWW 	C44H52N12O14	972.3726	NA	PeJP	NA	NA
+PJ108600	GCCCEFRR 	C37H60N14O11S3	972.3729	NA	PeJP	NA	NA
+PJ108601	PMMMMFW 	C45H64N8O8S4	972.373	NA	PeJP	NA	NA
+PJ108602	GCCRYWW 	C45H56N12O9S2	972.3735	NA	PeJP	NA	NA
+PJ108603	ATTEEEMY 	C40H60N8O18S	972.3747	NA	PeJP	NA	NA
+PJ108604	APTEMMMY 	C41H64N8O13S3	972.3755	NA	PeJP	NA	NA
+PJ108605	GSSCDRYW 	C41H56N12O14S	972.376	NA	PeJP	NA	NA
+PJ108606	SSCCMMRR 	C34H64N14O11S4	972.3762	NA	PeJP	NA	NA
+PJ108607	LMMMMMW 	C42H68N8O8S5	972.3764	NA	PeJP	NA	NA
+PJ108608	CCQMFRW 	C42H60N12O9S3	972.3769	NA	PeJP	NA	NA
+PJ108609	GSSSSDDRY 	C37H56N12O19	972.3785	NA	PeJP	NA	NA
+PJ108610	STLEMMMM 	C38H68N8O13S4	972.3789	NA	PeJP	NA	NA
+PJ108611	GSNDMMRY 	C38H60N12O14S2	972.3794	NA	PeJP	NA	NA
+PJ108612	GNNEEHHH 	C38H52N16O15	972.3799	NA	PeJP	NA	NA
+PJ108613	SSNMYWW 	C46H56N10O12S	972.38	NA	PeJP	NA	NA
+PJ108614	GVMMMMHH 	C39H64N12O9S4	972.3803	NA	PeJP	NA	NA
+PJ108615	GCCNHHFR 	C39H56N16O10S2	972.3807	NA	PeJP	NA	NA
+PJ108616	SSSSSSSCNK 	C34H60N12O19S	972.3819	NA	PeJP	NA	NA
+PJ108617	SSSSQEYW 	C42H56N10O17	972.3825	NA	PeJP	NA	NA
+PJ108618	GGGPPPDDDF 	C42H56N10O17	972.3826	NA	PeJP	NA	NA
+PJ108619	GSSSSMMMR 	C35H64N12O14S3	972.3827	NA	PeJP	NA	NA
+PJ108620	GGSSTCCCKK 	C35H64N12O14S3	972.3828	NA	PeJP	NA	NA
+PJ108621	GCDDDHRR 	C35H56N16O15S	972.3832	NA	PeJP	NA	NA
+PJ108622	SQQMMYW 	C43H60N10O12S2	972.3834	NA	PeJP	NA	NA
+PJ108623	ACCKMMMR 	C36H68N12O9S5	972.3836	NA	PeJP	NA	NA
+PJ108624	SCCCKHHR 	C36H60N16O10S3	972.3841	NA	PeJP	NA	NA
+PJ108625	SSSSSTTMW 	C39H60N10O17S	972.3859	NA	PeJP	NA	NA
+PJ108626	SPEEYYW 	C47H56N8O15	972.3865	NA	PeJP	NA	NA
+PJ108627	AEEEFYW 	C47H56N8O15	972.3866	NA	PeJP	NA	NA
+PJ108628	SSTCKMMW 	C40H64N10O12S3	972.3868	NA	PeJP	NA	NA
+PJ108629	NDDMHRW 	C40H56N14O13S	972.3872	NA	PeJP	NA	NA
+PJ108630	GGDDMHRW 	C40H56N14O13S	972.3873	NA	PeJP	NA	NA
+PJ108631	PDMMFFW 	C48H60N8O10S2	972.3874	NA	PeJP	NA	NA
+PJ108632	GSDHWWW 	C48H52N12O11	972.3879	NA	PeJP	NA	NA
+PJ108633	CCCFRRW 	C41H60N14O8S3	972.3881	NA	PeJP	NA	NA
+PJ108634	SSSSSSTTTE 	C35H60N10O22	972.3884	NA	PeJP	NA	NA
+PJ108635	SSTTTTNMM 	C36H64N10O17S2	972.3892	NA	PeJP	NA	NA
+PJ108636	SSSSSKEMM 	C36H64N10O17S2	972.3893	NA	PeJP	NA	NA
+PJ108637	SSNDEEHR 	C36H56N14O18	972.3897	NA	PeJP	NA	NA
+PJ108638	GGSSDEEHR 	C36H56N14O18	972.3898	NA	PeJP	NA	NA
+PJ108639	AAPEEMYY 	C44H60N8O15S	972.3899	NA	PeJP	NA	NA
+PJ108640	SSQKMMMM 	C37H68N10O12S4	972.3901	NA	PeJP	NA	NA
+PJ108641	GSCCERRY 	C37H60N14O13S2	972.3906	NA	PeJP	NA	NA
+PJ108642	VEMMMFW 	C45H64N8O10S3	972.3908	NA	PeJP	NA	NA
+PJ108643	SNNNNHHH 	C37H52N18O14	972.3911	NA	PeJP	NA	NA
+PJ108644	GQEMHWW 	C45H56N12O11S	972.3913	NA	PeJP	NA	NA
+MJ098945	Dotriacolide 	C40H76O18S4	972.391448	NA	MeJP	NA	NA
+MJ098946	Izumenolide; 38,39-Dihydro, 39-sulfooxy 	C40H76O18S4	972.391448	NA	MeJP	NA	NA
+PJ108645	MMMMHHR 	C38H64N14O8S4	972.3915	NA	PeJP	NA	NA
+PJ108646	TTTTEEEY 	C40H60N8O20	972.3924	NA	PeJP	NA	NA
+PJ108647	GTLEEMMY 	C41H64N8O15S2	972.3933	NA	PeJP	NA	NA
+PJ108648	GSNNQQYY 	C41H56N12O16	972.3937	NA	PeJP	NA	NA
+PJ108649	GSTQEEHW 	C41H56N12O16	972.3938	NA	PeJP	NA	NA
+PJ108650	GPLMMMMY 	C42H68N8O10S4	972.3942	NA	PeJP	NA	NA
+PJ108651	SCQMRYW 	C42H60N12O11S2	972.3946	NA	PeJP	NA	NA
+PJ108652	GGGAPPCMHF 	C42H60N12O11S2	972.3947	NA	PeJP	NA	NA
+PJ108653	NNEHHHW 	C42H52N16O12	972.3951	NA	PeJP	NA	NA
+PJ108654	GCQFFWW 	C50H56N10O9S	972.3953	NA	PeJP	NA	NA
+PJ108655	SSSNEMRY 	C38H60N12O16S	972.3971	NA	PeJP	NA	NA
+PJ108656	GGGGSLEEMH 	C38H60N12O16S	972.3972	NA	PeJP	NA	NA
+PJ108657	SVLMMMMM 	C39H72N8O10S5	972.3975	NA	PeJP	NA	NA
+PJ108658	GSSSTYWW 	C46H56N10O14	972.3978	NA	PeJP	NA	NA
+PJ108659	NQMMMRY 	C39H64N12O11S3	972.398	NA	PeJP	NA	NA
+PJ108660	GSCNNHRW 	C39H56N16O12S	972.3985	NA	PeJP	NA	NA
+PJ108661	NMMHFFF 	C47H60N10O9S2	972.3986	NA	PeJP	NA	NA
+PJ108662	GCKMYWW 	C47H60N10O9S2	972.3987	NA	PeJP	NA	NA
+MJ098947	Landomycin A; 3E-Deglycosyl 	C49H64O20	972.399094	NA	MeJP	NA	NA
+C15692	Anabaenopeptilide 90B	C45H61ClN8O14	972.3996	NA	KEGG	NA	NA
+PJ108663	SSSSSTMMR 	C35H64N12O16S2	972.4005	NA	PeJP	NA	NA
+PJ108664	GSSSNNDHR 	C35H56N16O17	972.401	NA	PeJP	NA	NA
+PJ108665	GSTTQMYW 	C43H60N10O14S	972.4011	NA	PeJP	NA	NA
+PJ108666	GSSDKMYW 	C43H60N10O14S	972.4012	NA	PeJP	NA	NA
+PJ108667	SSCKMMMR 	C36H68N12O11S4	972.4014	NA	PeJP	NA	NA
+PJ108668	PDDFFFW 	C51H56N8O12	972.4018	NA	PeJP	NA	NA
+PJ108669	SPCCDHRR 	C36H60N16O12S2	972.4019	NA	PeJP	NA	NA
+PJ108670	CQKMMFW 	C44H64N10O9S3	972.402	NA	PeJP	NA	NA
+PJ108671	GCEHRWW 	C44H56N14O10S	972.4025	NA	PeJP	NA	NA
+PJ108672	GSSSSKEEY 	C39H60N10O19	972.4036	NA	PeJP	NA	NA
+PJ108673	ASSSSDKEY 	C39H60N10O19	972.4037	NA	PeJP	NA	NA
+PJ108674	GSQKEMMY 	C40H64N10O14S2	972.4045	NA	PeJP	NA	NA
+PJ108675	GSSDEHRW 	C40H56N14O15	972.405	NA	PeJP	NA	NA
+PJ108676	PVDMYYW 	C48H60N8O12S	972.4052	NA	PeJP	NA	NA
+PJ108677	PPVMMMMH 	C41H68N10O9S4	972.4054	NA	PeJP	NA	NA
+PJ108678	SCCRRYW 	C41H60N14O10S2	972.4059	NA	PeJP	NA	NA
+PJ108679	GPDHHHHH 	C41H52N18O11	972.4064	NA	PeJP	NA	NA
+PJ108680	QMHWWW 	C49H56N12O8S	972.4065	NA	PeJP	NA	NA
+PJ108681	SSSSSSSTLM 	C36H64N10O19S	972.407	NA	PeJP	NA	NA
+PJ108682	LQEEEYY 	C44H60N8O17	972.4077	NA	PeJP	NA	NA
+PJ108683	GSSTTKMMM 	C37H68N10O14S3	972.4079	NA	PeJP	NA	NA
+PJ108684	SSSCDRRY 	C37H60N14O15S	972.4084	NA	PeJP	NA	NA
+PJ108685	TLEMMYW 	C45H64N8O12S2	972.4085	NA	PeJP	NA	NA
+PJ108686	GPVEMMFY 	C45H64N8O12S2	972.4086	NA	PeJP	NA	NA
+PJ108687	ACKKMMMM 	C38H72N10O9S5	972.4088	NA	PeJP	NA	NA
+PJ108688	STQEHWW 	C45H56N12O13	972.409	NA	PeJP	NA	NA
+PJ108689	GGGGGGGGGFFF 	C45H56N12O13	972.4091	NA	PeJP	NA	NA
+PJ108690	CNMMRRY 	C38H64N14O10S3	972.4092	NA	PeJP	NA	NA
+PJ108691	GGGPMMMHR 	C38H64N14O10S3	972.4093	NA	PeJP	NA	NA
+PJ108692	CLMHHFW 	C46H60N12O8S2	972.4099	NA	PeJP	NA	NA
+PJ108693	GNHHHWW 	C46H52N16O9	972.4104	NA	PeJP	NA	NA
+PJ108694	STTLEEMY 	C41H64N8O17S	972.411	NA	PeJP	NA	NA
+PJ108695	PPLEEEEM 	C41H64N8O17S	972.4111	NA	PeJP	NA	NA
+PJ108696	GVLEMMMY 	C42H68N8O12S3	972.4119	NA	PeJP	NA	NA
+PJ108697	NNNNNNNR 	C34H56N18O16	972.4122	NA	PeJP	NA	NA
+PJ108698	GGGGGGGGGGGGNR 	C34H56N18O16	972.4123	NA	PeJP	NA	NA
+PJ108699	GSSSMRYW 	C42H60N12O13S	972.4124	NA	PeJP	NA	NA
+PJ108700	SPPDWWW 	C50H56N10O11	972.413	NA	PeJP	NA	NA
+PJ108701	GCCNQHRR 	C35H60N18O11S2	972.4131	NA	PeJP	NA	NA
+PJ108702	CCKMFRW 	C43H64N12O8S3	972.4133	NA	PeJP	NA	NA
+PJ108703	QMHHHHF 	C43H56N16O9S	972.4137	NA	PeJP	NA	NA
+PJ108704	GSSSSTERY 	C38H60N12O18	972.4149	NA	PeJP	NA	NA
+PJ108705	ASSQMMRY 	C39H64N12O13S2	972.4157	NA	PeJP	NA	NA
+PJ108706	GSTQMMRY 	C39H64N12O13S2	972.4158	NA	PeJP	NA	NA
+PJ108707	GNNNDHFR 	C39H56N16O14	972.4162	NA	PeJP	NA	NA
+PJ108708	GGGGGNDHFR 	C39H56N16O14	972.4163	NA	PeJP	NA	NA
+PJ108709	STCKYWW 	C47H60N10O11S	972.4164	NA	PeJP	NA	NA
+PJ108710	CHRWWW 	C48H56N14O7S	972.4178	NA	PeJP	NA	NA
+PJ108711	SSSSKEYW 	C43H60N10O16	972.4189	NA	PeJP	NA	NA
+PJ108712	SSSCCCKKK 	C36H68N12O13S3	972.4191	NA	PeJP	NA	NA
+PJ108713	GSDDMHRR 	C36H60N16O14S	972.4196	NA	PeJP	NA	NA
+PJ108714	SQKMMYW 	C44H64N10O11S2	972.4198	NA	PeJP	NA	NA
+PJ108715	SSDHRWW 	C44H56N14O12	972.4202	NA	PeJP	NA	NA
+PJ108716	GGNQQHFW 	C44H56N14O12	972.4203	NA	PeJP	NA	NA
+PJ108717	APCCMHRR 	C37H64N16O9S3	972.4205	NA	PeJP	NA	NA
+PJ108718	SSTQKEMY 	C40H64N10O16S	972.4223	NA	PeJP	NA	NA
+PJ108719	ALEEYYW 	C48H60N8O14	972.4229	NA	PeJP	NA	NA
+PJ108720	LEMMMRY 	C41H68N10O11S3	972.4232	NA	PeJP	NA	NA
+PJ108721	SQEMHRW 	C41H60N14O12S	972.4236	NA	PeJP	NA	NA
+PJ108722	GGGGGGPCKHF 	C41H60N14O12S	972.4237	NA	PeJP	NA	NA
+PJ108723	PVMMFYW 	C49H64N8O9S2	972.4238	NA	PeJP	NA	NA
+PJ108724	GTTHWWW 	C49H56N12O10	972.4243	NA	PeJP	NA	NA
+PJ108725	SSSSTTTTTT 	C36H64N10O21	972.4248	NA	PeJP	NA	NA
+PJ108726	CHHHHFR 	C42H56N18O8S	972.425	NA	PeJP	NA	NA
+PJ108727	SSSTTTKMM 	C37H68N10O16S2	972.4256	NA	PeJP	NA	NA
+PJ108728	GPDDEERR 	C37H60N14O17	972.4261	NA	PeJP	NA	NA
+PJ108729	GGGGGGPTEER 	C37H60N14O17	972.4262	NA	PeJP	NA	NA
+PJ108730	GPTLEMYY 	C45H64N8O14S	972.4263	NA	PeJP	NA	NA
+PJ108731	SSKKMMMM 	C38H72N10O11S4	972.4265	NA	PeJP	NA	NA
+PJ108732	GSTCMRRY 	C38H64N14O12S2	972.427	NA	PeJP	NA	NA
+PJ108733	VLMMMYW 	C46H68N8O9S3	972.4272	NA	PeJP	NA	NA
+PJ108734	GSNEHHHR 	C38H56N18O13	972.4275	NA	PeJP	NA	NA
+PJ108735	ADKMHWW 	C46H60N12O10S	972.4276	NA	PeJP	NA	NA
+PJ108736	PPCERWW 	C46H60N12O10S	972.4277	NA	PeJP	NA	NA
+PJ108737	PVLEEEEE 	C41H64N8O19	972.4288	NA	PeJP	NA	NA
+PJ108738	SSLLEMMY 	C42H68N8O14S2	972.4297	NA	PeJP	NA	NA
+PJ108739	SSSSTRYW 	C42H60N12O15	972.4301	NA	PeJP	NA	NA
+PJ108740	PQEEERW 	C42H60N12O15	972.4302	NA	PeJP	NA	NA
+PJ108741	GLLMMMMF 	C43H72N8O9S4	972.4306	NA	PeJP	NA	NA
+PJ108742	SSCNNHRR 	C35H60N18O13S	972.4308	NA	PeJP	NA	NA
+PJ108743	GGGGSSCHRR 	C35H60N18O13S	972.4309	NA	PeJP	NA	NA
+PJ108744	SCKMRYW 	C43H64N12O10S2	972.431	NA	PeJP	NA	NA
+PJ108745	NDKHHHW 	C43H56N16O11	972.4315	NA	PeJP	NA	NA
+PJ108746	APPMWWW 	C51H60N10O8S	972.4317	NA	PeJP	NA	NA
+PJ108747	SSSDKMRY 	C39H64N12O15S	972.4335	NA	PeJP	NA	NA
+PJ108748	GGGGGGAAPLEM 	C39H64N12O15S	972.4336	NA	PeJP	NA	NA
+PJ108749	PVQEEWW 	C47H60N10O13	972.4342	NA	PeJP	NA	NA
+PJ108750	NKMMMRY 	C40H68N12O10S3	972.4344	NA	PeJP	NA	NA
+PJ108751	SCEHRRW 	C40H60N16O11S	972.4349	NA	PeJP	NA	NA
+PJ108752	PPNHHWW 	C48H56N14O9	972.4355	NA	PeJP	NA	NA
+PJ108753	NNNNNQQK 	C36H60N16O16	972.4373	NA	PeJP	NA	NA
+PJ108754	SSSDEHRR 	C36H60N16O16	972.4374	NA	PeJP	NA	NA
+PJ108755	GSTTKMYW 	C44H64N10O13S	972.4375	NA	PeJP	NA	NA
+PJ108756	GPPKEEMW 	C44H64N10O13S	972.4376	NA	PeJP	NA	NA
+PJ108757	PPTFYYW 	C52H60N8O11	972.4382	NA	PeJP	NA	NA
+PJ108758	GGGAPPCCRR 	C37H64N16O11S2	972.4383	NA	PeJP	NA	NA
+PJ108759	CKKMMFW 	C45H68N10O8S3	972.4384	NA	PeJP	NA	NA
+PJ108760	GTMHRWW 	C45H60N14O9S	972.4389	NA	PeJP	NA	NA
+PJ108761	GSSTTTKEY 	C40H64N10O18	972.44	NA	PeJP	NA	NA
+PJ108762	PVNKEEEE 	C40H64N10O18	972.4401	NA	PeJP	NA	NA
+PJ108763	GSKKEMMY 	C41H68N10O13S2	972.4409	NA	PeJP	NA	NA
+PJ108764	PDDERRW 	C41H60N14O14	972.4414	NA	PeJP	NA	NA
+PJ108765	PTLMYYW 	C49H64N8O11S	972.4416	NA	PeJP	NA	NA
+PJ108766	VNMMHRW 	C42H64N14O9S2	972.4422	NA	PeJP	NA	NA
+PJ108767	GGVMMHRW 	C42H64N14O9S2	972.4423	NA	PeJP	NA	NA
+PJ108768	SNHHHRW 	C42H56N18O10	972.4427	NA	PeJP	NA	NA
+PJ108769	KMHWWW 	C50H60N12O7S	972.4429	NA	PeJP	NA	NA
+PJ108770	LKEEEYY 	C45H64N8O16	972.4441	NA	PeJP	NA	NA
+PJ108771	SSSSMRRY 	C38H64N14O14S	972.4447	NA	PeJP	NA	NA
+PJ108772	SPPDDMRR 	C38H64N14O14S	972.4448	NA	PeJP	NA	NA
+MJ098948	3-O-?-D-Mannopyranosyl-D-mannose; ?-Pyranose-form, Benzyl glycoside, hexabenzyl 	C61H64O11	972.444862	NA	MeJP	NA	NA
+PJ108773	GPVLMMYY 	C46H68N8O11S2	972.4449	NA	PeJP	NA	NA
+MJ098949	Periplanetin CC1 	C46H60N12O12	972.445365	NA	MeJP	NA	NA
+PJ108774	APEERWW 	C46H60N12O12	972.4454	NA	PeJP	NA	NA
+PJ108775	APCKMMHR 	C39H68N14O9S3	972.4456	NA	PeJP	NA	NA
+PJ108776	QQMHHHR 	C39H60N18O10S	972.4461	NA	PeJP	NA	NA
+PJ108777	ATLLMMMY 	C43H72N8O11S3	972.4483	NA	PeJP	NA	NA
+PJ108778	GNNNNERR 	C35H60N18O15	972.4486	NA	PeJP	NA	NA
+PJ108779	GPPTEMRW 	C43H64N12O12S	972.4488	NA	PeJP	NA	NA
+PJ108780	GPLEWWW 	C51H60N10O10	972.4494	NA	PeJP	NA	NA
+PJ108781	CDMHRRR 	C36H64N18O10S2	972.4495	NA	PeJP	NA	NA
+PJ108782	KMHHHHF 	C44H60N16O8S	972.4501	NA	PeJP	NA	NA
+PJ108783	SSSSSSLRY 	C39H64N12O17	972.4513	NA	PeJP	NA	NA
+PJ108784	GSTKMMRY 	C40H68N12O12S2	972.4521	NA	PeJP	NA	NA
+PJ108785	GGSCCKKKY 	C40H68N12O12S2	972.4522	NA	PeJP	NA	NA
+PJ108786	NNQQQRW 	C40H60N16O13	972.4526	NA	PeJP	NA	NA
+PJ108787	GGGGGGGGGVRW 	C40H60N16O13	972.4527	NA	PeJP	NA	NA
+PJ108788	PPKEMWW 	C48H64N10O10S	972.4528	NA	PeJP	NA	NA
+PJ108789	GMMHRRW 	C41H64N16O8S2	972.4535	NA	PeJP	NA	NA
+PJ108790	SSTTTKYW 	C44H64N10O15	972.4553	NA	PeJP	NA	NA
+PJ108791	GSTEMHRR 	C37H64N16O13S	972.456	NA	PeJP	NA	NA
+PJ108792	SKKMMYW 	C45H68N10O10S2	972.4562	NA	PeJP	NA	NA
+PJ108793	STTHRWW 	C45H60N14O11	972.4566	NA	PeJP	NA	NA
+MJ098950	2,16,20,25-Tetrahydroxycucurbita-5,23-diene-3,11,22-trione, [?-D-Glucopyranosyl-(1?4)-?-D-glucopyranosyl-(1?4)-D-arabinoside] 	C47H72O21	972.456609	NA	MeJP	NA	NA
+MJ098951	Glaucogenin A; 11?-Hydroxy, 3-O-[?-D-glucopyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-oleandropyranoside] 	C47H72O21	972.456609	NA	MeJP	NA	NA
+MJ098952	Hederagenin bisdesmosides; Triglycosides, 3-O-[(2-Carboxy-1-carboxymethoxy-2-hydroxyethyl)-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H72O21	972.456609	NA	MeJP	NA	NA
+PJ108794	GGGGPTRWW 	C45H60N14O11	972.4567	NA	PeJP	NA	NA
+PJ108795	PVMFFFW 	C53H64N8O8S	972.4568	NA	PeJP	NA	NA
+PJ108796	CQHHHRR 	C38H60N20O9S	972.4573	NA	PeJP	NA	NA
+PJ108797	SSTKKEMY 	C41H68N10O15S	972.4587	NA	PeJP	NA	NA
+PJ108798	SLLEYYW 	C49H64N8O13	972.4593	NA	PeJP	NA	NA
+PJ108799	AAKKMMMY 	C42H72N10O10S3	972.4595	NA	PeJP	NA	NA
+PJ108800	GPPPCLKMM 	C42H72N10O10S3	972.4596	NA	PeJP	NA	NA
+PJ108801	SKEMHRW 	C42H64N14O11S	972.46	NA	PeJP	NA	NA
+PJ108802	VLMMFFW 	C50H68N8O8S2	972.4602	NA	PeJP	NA	NA
+PJ108803	GPNKWWW 	C50H60N12O9	972.4607	NA	PeJP	NA	NA
+PJ108804	GPTEEERR 	C38H64N14O16	972.4625	NA	PeJP	NA	NA
+PJ108805	GGGGGGGGGALKE 	C38H64N14O16	972.4626	NA	PeJP	NA	NA
+PJ108806	AALLEMYY 	C46H68N8O13S	972.4627	NA	PeJP	NA	NA
+PJ108807	GPPEMMRR 	C39H68N14O11S2	972.4634	NA	PeJP	NA	NA
+PJ108808	NNNNRRW 	C39H60N18O12	972.4638	NA	PeJP	NA	NA
+PJ108809	GGNNNRRW 	C39H60N18O12	972.4639	NA	PeJP	NA	NA
+PJ108810	PPTMRWW 	C47H64N12O9S	972.464	NA	PeJP	NA	NA
+PJ108811	PLWWWW 	C55H60N10O7	972.4647	NA	PeJP	NA	NA
+PJ108812	TTTLLMMY 	C43H72N8O13S2	972.4661	NA	PeJP	NA	NA
+PJ108813	PKEEERW 	C43H64N12O14	972.4665	NA	PeJP	NA	NA
+PJ108814	GGGPDKKEW 	C43H64N12O14	972.4666	NA	PeJP	NA	NA
+PJ108815	GPCNDRRR 	C36H64N18O12S	972.4672	NA	PeJP	NA	NA
+PJ108816	GPPVMMRW 	C44H68N12O9S2	972.4674	NA	PeJP	NA	NA
+PJ108817	GDHFRRW 	C44H60N16O10	972.4679	NA	PeJP	NA	NA
+PJ108818	SSTTKMRY 	C40H68N12O14S	972.4699	NA	PeJP	NA	NA
+PJ108819	ADKKYYW 	C48H64N10O12	972.4705	NA	PeJP	NA	NA
+PJ108820	PVKEEWW 	C48H64N10O12	972.4706	NA	PeJP	NA	NA
+PJ108821	APKKMMMH 	C41H72N12O9S3	972.4708	NA	PeJP	NA	NA
+PJ108822	STMHRRW 	C41H64N16O10S	972.4712	NA	PeJP	NA	NA
+PJ108823	GGPNMRRW 	C41H64N16O10S	972.4713	NA	PeJP	NA	NA
+PJ108824	AAHFRWW 	C49H60N14O8	972.4719	NA	PeJP	NA	NA
+PJ108825	SSTTEHRR 	C37H64N16O15	972.4737	NA	PeJP	NA	NA
+PJ108826	GAQQEERR 	C37H64N16O15	972.4738	NA	PeJP	NA	NA
+PJ108827	SPPVKEMW 	C45H68N10O12S	972.4739	NA	PeJP	NA	NA
+PJ108828	PVVFYYW 	C53H64N8O10	972.4746	NA	PeJP	NA	NA
+PJ108829	GSSHHHRR 	C38H60N20O11	972.4751	NA	PeJP	NA	NA
+PJ108830	PCKHFRW 	C46H64N14O8S	972.4753	NA	PeJP	NA	NA
+PJ108831	SSSSTTLKY 	C41H68N10O17	972.4764	NA	PeJP	NA	NA
+PJ108832	GGGGLLLEEE 	C41H68N10O17	972.4765	NA	PeJP	NA	NA
+PJ108833	ATTKKMMY 	C42H72N10O12S2	972.4773	NA	PeJP	NA	NA
+PJ108834	PTEERRW 	C42H64N14O13	972.4778	NA	PeJP	NA	NA
+PJ108835	VVLMYYW 	C50H68N8O10S	972.4779	NA	PeJP	NA	NA
+PJ108836	GPVLMFFY 	C50H68N8O10S	972.478	NA	PeJP	NA	NA
+PJ108837	PPMMRRW 	C43H68N14O8S2	972.4786	NA	PeJP	NA	NA
+PJ108838	GVLHHHHH 	C43H60N18O9	972.4791	NA	PeJP	NA	NA
+PJ108839	ATTLLEYY 	C46H68N8O15	972.4804	NA	PeJP	NA	NA
+PJ108840	PPLLEEEF 	C46H68N8O15	972.4805	NA	PeJP	NA	NA
+PJ108841	SPPTEMRR 	C39H68N14O13S	972.4811	NA	PeJP	NA	NA
+PJ108842	GPVEEMRR 	C39H68N14O13S	972.4812	NA	PeJP	NA	NA
+PJ108843	GVLLMMFY 	C47H72N8O10S2	972.4813	NA	PeJP	NA	NA
+PJ108844	SPLERWW 	C47H64N12O11	972.4818	NA	PeJP	NA	NA
+PJ108845	APPCHHRR 	C40H64N18O9S	972.4825	NA	PeJP	NA	NA
+PJ108846	PLLLEEEM 	C43H72N8O15S	972.4838	NA	PeJP	NA	NA
+PJ108847	NNEERRR 	C36H64N18O14	972.485	NA	PeJP	NA	NA
+PJ108848	AAPLEMRW 	C44H68N12O11S	972.4852	NA	PeJP	NA	NA
+PJ108849	SPVLWWW 	C52H64N10O9	972.4858	NA	PeJP	NA	NA
+PJ108850	SMMHRRR 	C37H68N18O9S2	972.4859	NA	PeJP	NA	NA
+PJ108851	SPTTTTTKH 	C40H68N12O16	972.4876	NA	PeJP	NA	NA
+PJ108852	SPVKEEER 	C40H68N12O16	972.4877	NA	PeJP	NA	NA
+PJ108853	PPVDKMMR 	C41H72N12O11S2	972.4885	NA	PeJP	NA	NA
+PJ108854	GGGAPPKKMM 	C41H72N12O11S2	972.4886	NA	PeJP	NA	NA
+PJ108855	AQQERRW 	C41H64N16O12	972.489	NA	PeJP	NA	NA
+PJ108856	PLLQMWW 	C49H68N10O9S	972.4892	NA	PeJP	NA	NA
+PJ108857	LHHHHHR 	C42H60N20O8	972.4904	NA	PeJP	NA	NA
+PJ108858	APTLKEEW 	C45H68N10O14	972.4917	NA	PeJP	NA	NA
+PJ108859	PEEMRRR 	C38H68N16O12S	972.4924	NA	PeJP	NA	NA
+PJ108860	APPLKMMW 	C46H72N10O9S2	972.4926	NA	PeJP	NA	NA
+MJ098953	1,4-Epoxy-11-hydroxy-3,4-seco-20(29)-lupene-3,28-dioic acid, 28-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1r6)-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098954	11,13(18)-Oleanadiene-3,16,23,28,30-pentol, 30-Carboxylic acid, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?3)-fucopyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098955	12-Oleanene-3,21,22,29-tetrol, 29-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098956	12-Oleanene-3,22,24,30-tetrol, 22-Ketone, 3-O-[?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 30-O-?-D-glucopyranoside 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098957	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Arabinopyranosyl-(1?4)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098958	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098959	2,3-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], ?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098960	3,11,23-Trihydroxy-20(29)-lupen-28-oic acid, 23-Carboxylic acid, 28-O-[?-L-rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098961	3,16,21,30-Tetrahydroxy-12-oleanen-28-oic acid, 28?21-Lactone, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-glucopyranoside], 16-O-?-D-glucopyranoside 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098962	3,16-Dihydroxy-23-oxo-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-[?-D-galactopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098963	3,21-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098964	3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098965	3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098966	3,22,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?4)-?-D-glucuronopyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098967	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-xylopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098968	3,24-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098969	3,29-Dihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranoside-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098970	3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098971	3-Hydroxy-12-oleanene-23,28-dioic acid, 28-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098972	3-Hydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098973	3-Hydroxy-12-ursene-27,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098974	3-Hydroxy-3,4-seco-4(24),12-oleanadiene-23,28-dioic acid; 28-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098975	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098976	Hirundigenin; 2?-Hydroxy, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-sarmentopyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+MJ098977	Spirost-5-ene-3,17,26-triol, 26-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[6-O-acetyl-?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H76O20	972.492994	NA	MeJP	NA	NA
+PJ108861	SPNKRWW 	C46H64N14O10	972.493	NA	PeJP	NA	NA
+PJ108862	CKHHHRR 	C39H64N20O8S	972.4937	NA	PeJP	NA	NA
+PJ108863	TTTTKKMY 	C42H72N10O14S	972.495	NA	PeJP	NA	NA
+PJ108864	PVLQKEEM 	C42H72N10O14S	972.4951	NA	PeJP	NA	NA
+PJ108865	AAPLLYYY 	C50H68N8O12	972.4957	NA	PeJP	NA	NA
+PJ108866	VVLLMMMH 	C43H76N10O9S3	972.4959	NA	PeJP	NA	NA
+PJ108867	GSNNNRRR 	C35H64N20O13	972.4962	NA	PeJP	NA	NA
+PJ108868	PVEMRRW 	C43H68N14O10S	972.4964	NA	PeJP	NA	NA
+PJ108869	AVKHFWW 	C51H64N12O8	972.497	NA	PeJP	NA	NA
+PJ108870	GLKHFWW 	C51H64N12O8	972.4971	NA	PeJP	NA	NA
+PJ108871	AALEEERR 	C39H68N14O15	972.4989	NA	PeJP	NA	NA
+PJ108872	GTLLLMYY 	C47H72N8O12S	972.4991	NA	PeJP	NA	NA
+PJ108873	SPPVMMRR 	C40H72N14O10S2	972.4998	NA	PeJP	NA	NA
+PJ108874	GNERRRW 	C40H64N18O11	972.5002	NA	PeJP	NA	NA
+PJ108875	GGGERRRW 	C40H64N18O11	972.5003	NA	PeJP	NA	NA
+PJ108876	PVVMRWW 	C48H68N12O8S	972.5004	NA	PeJP	NA	NA
+PJ108877	VLLLEEEE 	C43H72N8O17	972.5016	NA	PeJP	NA	NA
+PJ108878	LLQEERW 	C44H68N12O13	972.5029	NA	PeJP	NA	NA
+PJ108879	GGGGGGAAPLLF 	C44H68N12O13	972.503	NA	PeJP	NA	NA
+PJ108880	GSPNMRRR 	C37H68N18O11S	972.5036	NA	PeJP	NA	NA
+PJ108881	LKKMMHW 	C45H72N12O8S2	972.5038	NA	PeJP	NA	NA
+PJ108882	AAQRRWW 	C45H64N16O9	972.5043	NA	PeJP	NA	NA
+PJ108883	APLKEEMR 	C41H72N12O13S	972.5063	NA	PeJP	NA	NA
+PJ108884	VLLQEWW 	C49H68N10O11	972.5069	NA	PeJP	NA	NA
+PJ108885	GGLLLEWW 	C49H68N10O11	972.507	NA	PeJP	NA	NA
+PJ108886	PCQKRRW 	C42H68N16O9S	972.5076	NA	PeJP	NA	NA
+PJ108887	VEEERRR 	C38H68N16O14	972.5101	NA	PeJP	NA	NA
+PJ108888	GGAAKEERR 	C38H68N16O14	972.5102	NA	PeJP	NA	NA
+PJ108889	GPLLKEMW 	C46H72N10O11S	972.5103	NA	PeJP	NA	NA
+PJ108890	VVLFFYW 	C54H68N8O9	972.511	NA	PeJP	NA	NA
+PJ108891	PDHHRRR 	C39H64N20O10	972.5115	NA	PeJP	NA	NA
+PJ108892	PTLKKEEE 	C42H72N10O16	972.5128	NA	PeJP	NA	NA
+PJ108893	PPLKKEMM 	C43H76N10O11S2	972.5137	NA	PeJP	NA	NA
+PJ108894	ASPTQKRW 	C43H68N14O12	972.5141	NA	PeJP	NA	NA
+PJ108895	VVEERRW 	C43H68N14O12	972.5142	NA	PeJP	NA	NA
+PJ108896	GVLLMFFF 	C51H72N8O9S	972.5143	NA	PeJP	NA	NA
+PJ108897	NRRRWW 	C44H64N18O8	972.5155	NA	PeJP	NA	NA
+PJ108898	STTLLLYY 	C47H72N8O14	972.5168	NA	PeJP	NA	NA
+PJ108899	APTLEMRR 	C40H72N14O12S	972.5175	NA	PeJP	NA	NA
+PJ108900	GGGGGGVLLMR 	C40H72N14O12S	972.5176	NA	PeJP	NA	NA
+PJ108901	ALLERWW 	C48H68N12O10	972.5182	NA	PeJP	NA	NA
+PJ108902	AMHFRRR 	C41H68N18O8S	972.5189	NA	PeJP	NA	NA
+PJ108903	NDKERRR 	C37H68N18O13	972.5214	NA	PeJP	NA	NA
+PJ108904	CLKKRYY 	C45H72N12O10S	972.5215	NA	PeJP	NA	NA
+PJ108905	GPTLLMRW 	C45H72N12O10S	972.5216	NA	PeJP	NA	NA
+PJ108906	GLLLWWW 	C53H68N10O8	972.5222	NA	PeJP	NA	NA
+PJ108907	SVLLQEER 	C41H72N12O15	972.524	NA	PeJP	NA	NA
+PJ108908	GLLKEEER 	C41H72N12O15	972.5241	NA	PeJP	NA	NA
+PJ108909	PPTLKMMR 	C42H76N12O10S2	972.5249	NA	PeJP	NA	NA
+PJ108910	AQKERRW 	C42H68N16O11	972.5254	NA	PeJP	NA	NA
+PJ108911	PLLKMWW 	C50H72N10O8S	972.5256	NA	PeJP	NA	NA
+PJ108912	GVLLKEEW 	C46H72N10O13	972.5281	NA	PeJP	NA	NA
+PJ108913	GPTQKMRR 	C39H72N16O11S	972.5288	NA	PeJP	NA	NA
+MJ098978	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-3-O-acetyl-?-D-xylopyranoside], 25-O-?-D-glucopyranoside 	C49H80O19	972.52938	NA	MeJP	NA	NA
+MJ098979	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-4-O-acetyl-?-D-xylopyranoside], 25-O-?-D-glucopyranoside 	C49H80O19	972.52938	NA	MeJP	NA	NA
+MJ098980	21,23-Epoxycycloart-25-ene-3,21,22,24,29-pentol, 21-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C49H80O19	972.52938	NA	MeJP	NA	NA
+MJ098981	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O19	972.52938	NA	MeJP	NA	NA
+MJ098982	3,8,12,14,15-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H80O19	972.52938	NA	MeJP	NA	NA
+PJ108914	GLQKRWW 	C47H68N14O9	972.5294	NA	PeJP	NA	NA
+PJ108915	GSPVLLKEM 	C43H76N10O13S	972.5314	NA	PeJP	NA	NA
+PJ108916	PVLKKEEM 	C43H76N10O13S	972.5315	NA	PeJP	NA	NA
+PJ108917	AALLLFYY 	C51H72N8O11	972.5321	NA	PeJP	NA	NA
+PJ108918	SNERRRR 	C36H68N20O12	972.5326	NA	PeJP	NA	NA
+PJ108919	PQKKMRW 	C44H72N14O9S	972.5328	NA	PeJP	NA	NA
+PJ108920	GTLLEERR 	C40H72N14O14	972.5353	NA	PeJP	NA	NA
+PJ108921	GPLLMMRR 	C41H76N14O9S2	972.5362	NA	PeJP	NA	NA
+PJ108922	GDKRRRW 	C41H68N18O10	972.5366	NA	PeJP	NA	NA
+PJ108923	LLKEERW 	C45H72N12O12	972.5393	NA	PeJP	NA	NA
+PJ108924	VQQMRRR 	C38H72N18O10S	972.54	NA	PeJP	NA	NA
+PJ108925	AAKRRWW 	C46H68N16O8	972.5407	NA	PeJP	NA	NA
+PJ108926	SPLLKEMR 	C42H76N12O12S	972.5427	NA	PeJP	NA	NA
+PJ108927	VLLKEWW 	C50H72N10O10	972.5433	NA	PeJP	NA	NA
+PJ108928	PCKKRRW 	C43H72N16O8S	972.544	NA	PeJP	NA	NA
+PJ108929	QKKEERR 	C39H72N16O13	972.5465	NA	PeJP	NA	NA
+PJ108930	SPVLLKMW 	C47H76N10O10S	972.5467	NA	PeJP	NA	NA
+PJ108931	GSRRRRW 	C40H68N20O9	972.5479	NA	PeJP	NA	NA
+PJ108932	VVLKKEEE 	C43H76N10O15	972.5492	NA	PeJP	NA	NA
+PJ108933	PLLLQKMM 	C44H80N10O10S2	972.5501	NA	PeJP	NA	NA
+PJ108934	TLLERRW 	C44H72N14O11	972.5505	NA	PeJP	NA	NA
+PJ108935	GGLKKERW 	C44H72N14O11	972.5506	NA	PeJP	NA	NA
+PJ108936	AQMRRRR 	C37H72N20O9S	972.5512	NA	PeJP	NA	NA
+PJ108937	PLLLLEEF 	C48H76N8O13	972.5532	NA	PeJP	NA	NA
+PJ108938	GVLLEMRR 	C41H76N14O11S	972.5539	NA	PeJP	NA	NA
+PJ108939	SLLLRWW 	C49H72N12O9	972.5546	NA	PeJP	NA	NA
+PJ108940	LLLLLEEM 	C45H80N8O13S	972.5566	NA	PeJP	NA	NA
+PJ108941	TQKERRR 	C38H72N18O12	972.5578	NA	PeJP	NA	NA
+PJ108942	AALLLMRW 	C46H76N12O9S	972.5579	NA	PeJP	NA	NA
+PJ108943	SVLLKEER 	C42H76N12O14	972.5604	NA	PeJP	NA	NA
+PJ108944	GAALKKKEE 	C42H76N12O14	972.5605	NA	PeJP	NA	NA
+PJ108945	PVVLKMMR 	C43H80N12O9S2	972.5613	NA	PeJP	NA	NA
+PJ108946	AKKERRW 	C43H72N16O10	972.5618	NA	PeJP	NA	NA
+PJ108947	ACRRRRR 	C36H72N22O8S	972.5625	NA	PeJP	NA	NA
+PJ108948	STLLLLQW 	C47H76N10O12	972.5644	NA	PeJP	NA	NA
+PJ108949	ATLLLKEW 	C47H76N10O12	972.5645	NA	PeJP	NA	NA
+PJ108950	SPVCKKRR 	C40H76N16O10S	972.5651	NA	PeJP	NA	NA
+PJ108951	LLEMRRR 	C40H76N16O10S	972.5652	NA	PeJP	NA	NA
+MJ098983	Antibiotic CP 91243 	C50H84O18	972.565765	NA	MeJP	NA	NA
+PJ108952	GLKKRWW 	C48H72N14O8	972.5658	NA	PeJP	NA	NA
+PJ108953	VLLLQKEM 	C44H80N10O12S	972.5678	NA	PeJP	NA	NA
+PJ108954	SDKRRRR 	C37H72N20O11	972.569	NA	PeJP	NA	NA
+PJ108955	VLLMRRW 	C45H76N14O8S	972.5692	NA	PeJP	NA	NA
+PJ108956	SSLLLERR 	C41H76N14O13	972.5717	NA	PeJP	NA	NA
+PJ108957	ATKRRRW 	C42H72N18O9	972.573	NA	PeJP	NA	NA
+PJ108958	ATTLLLRW 	C46H76N12O11	972.5757	NA	PeJP	NA	NA
+PJ108959	VQKMRRR 	C39H76N18O9S	972.5764	NA	PeJP	NA	NA
+PJ108960	ALLLKEMR 	C43H80N12O11S	972.5791	NA	PeJP	NA	NA
+PJ108961	GPLLLKFW 	C51H76N10O9	972.5797	NA	PeJP	NA	NA
+PJ108962	SSRRRRR 	C36H72N22O10	972.5802	NA	PeJP	NA	NA
+PJ108963	KKKEERR 	C40H76N16O12	972.5829	NA	PeJP	NA	NA
+PJ108964	GLLLLKMW 	C48H80N10O9S	972.5831	NA	PeJP	NA	NA
+PJ108965	VLHHRRR 	C41H72N20O8	972.5842	NA	PeJP	NA	NA
+PJ108966	TLLLKKEE 	C44H80N10O14	972.5856	NA	PeJP	NA	NA
+PJ108967	PLLLKKMM 	C45H84N10O9S2	972.5865	NA	PeJP	NA	NA
+PJ108968	VKKKERW 	C45H76N14O10	972.5869	NA	PeJP	NA	NA
+PJ108969	AKMRRRR 	C38H76N20O8S	972.5876	NA	PeJP	NA	NA
+PJ108970	PLLLLLEY 	C49H80N8O12	972.5896	NA	PeJP	NA	NA
+PJ108971	ATLLLMRR 	C42H80N14O10S	972.5903	NA	PeJP	NA	NA
+PJ108972	VVKKKWW 	C50H76N12O8	972.5909	NA	PeJP	NA	NA
+PJ108973	TKKERRR 	C39H76N18O11	972.5941	NA	PeJP	NA	NA
+PJ108974	GGGSKKKRR 	C39H76N18O11	972.5942	NA	PeJP	NA	NA
+PJ108975	TTLLLKER 	C43H80N12O13	972.5968	NA	PeJP	NA	NA
+PJ108976	SLKKRRW 	C44H76N16O9	972.5982	NA	PeJP	NA	NA
+PJ108977	STLLLLKW 	C48H80N10O11	972.6008	NA	PeJP	NA	NA
+PJ108978	GGPLLLLKY 	C48H80N10O11	972.6009	NA	PeJP	NA	NA
+PJ108979	AALKKMRR 	C41H80N16O9S	972.6015	NA	PeJP	NA	NA
+PJ108980	VLLLKKEM 	C45H84N10O11S	972.6042	NA	PeJP	NA	NA
+PJ108981	TTKRRRR 	C38H76N20O10	972.6054	NA	PeJP	NA	NA
+PJ108982	TTTLLLRR 	C42H80N14O12	972.6081	NA	PeJP	NA	NA
+PJ108983	GTLLKKKW 	C47H80N12O10	972.6121	NA	PeJP	NA	NA
+PJ108984	VKKMRRR 	C40H80N18O8S	972.6128	NA	PeJP	NA	NA
+PJ108985	CLLLQKKK 	C44H84N12O10S	972.6154	NA	PeJP	NA	NA
+PJ108986	SLLLLKMR 	C44H84N12O10S	972.6155	NA	PeJP	NA	NA
+PJ108987	ATTLKKRR 	C41H80N16O11	972.6193	NA	PeJP	NA	NA
+PJ108988	SSSLLLLLK 	C45H84N10O13	972.622	NA	PeJP	NA	NA
+PJ108989	QKKKKKW 	C46H80N14O9	972.6233	NA	PeJP	NA	NA
+PJ108990	LLLLLLEF 	C50H84N8O11	972.626	NA	PeJP	NA	NA
+PJ108991	GLLKKKMR 	C43H84N14O9S	972.6267	NA	PeJP	NA	NA
+PJ108992	SLLKKKKE 	C44H84N12O12	972.6332	NA	PeJP	NA	NA
+PJ108993	LLLFRRR 	C45H80N16O8	972.6346	NA	PeJP	NA	NA
+PJ108994	PVLLLKKY 	C49H84N10O10	972.6372	NA	PeJP	NA	NA
+PJ108995	STLLKKKR 	C43H84N14O11	972.6444	NA	PeJP	NA	NA
+PJ108996	GKKKKKKE 	C43H84N14O11	972.6445	NA	PeJP	NA	NA
+PJ108997	ALLLLKFR 	C48H84N12O9	972.6485	NA	PeJP	NA	NA
+PJ108998	VVLKKKKM 	C45H88N12O9S	972.6518	NA	PeJP	NA	NA
+PJ108999	GTKKKKKR 	C42H84N16O10	972.6557	NA	PeJP	NA	NA
+PJ109000	KKKKKKW 	C47H84N14O8	972.6597	NA	PeJP	NA	NA
+PJ109001	LLLLLLLY 	C51H88N8O10	972.6624	NA	PeJP	NA	NA
+PJ109002	VLLLLKKF 	C50H88N10O9	972.6736	NA	PeJP	NA	NA
+PJ109003	SVKKKKKK 	C44H88N14O10	972.6808	NA	PeJP	NA	NA
+MJ098984	Trixol 	C54H100O14	972.711307	NA	MeJP	NA	NA
+HMDB10558	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C65H96O6	972.720703	NA	HMDB2010	NA	NA
+HMDB05415	TG(20:0/20:0/20:1(11Z))[iso3]	C63H120O6	972.908508	NA	HMDB2010	NA	NA
+HMDB05415	TG(20:0/20:0/20:1(11Z))[iso3]	C63H120O6	972.90851	http://www.hmdb.ca/metabolites/HMDB05415	HMDB	NA	NA
+HMDB05415	TG(20:0/20:0/20:1(11Z))[iso3]	C63H120O6	972.90851	HMDB05415	PFEM_hmdb_metabocards_official	NA	NA
+PJ109004	CCCCCCCCM 	C29H51N9O10S9	973.1246	NA	PeJP	NA	NA
+HMDB12145	2-Carboxymethyl-3-hydroxyphenylpropionyl-CoA	C32H46N7O20P3S	973.173096	NA	HMDB2010	NA	NA
+C00411	Sinapoyl-CoA	C32H46N7O20P3S	973.1731	NA	KEGG	NA	NA
+C09819	(Hydroxymethylphenyl)succinyl-CoA	C32H46N7O20P3S	973.1731	NA	KEGG	NA	NA
+MJ098985	Sinapoyl-CoA 	C32H46N7O20P3S	973.173117	NA	MeJP	NA	NA
+MetaCyc04355	sinapoyl-CoA []	C32H46N7O20P3S1	973.173117	NA	metacyc	NA	NA
+MetaCyc04356	2-carboxymethyl-3-hydroxyphenylpropionyl-CoA []	C32H46N7O20P3S1	973.173117	NA	metacyc	NA	NA
+PJ109005	ACCCCCCCY 	C33H51N9O11S7	973.1753	NA	PeJP	NA	NA
+PJ109006	PCCCCCCCH 	C32H51N11O10S7	973.1866	NA	PeJP	NA	NA
+PJ109007	SSCCCCCCY 	C33H51N9O13S6	973.1931	NA	PeJP	NA	NA
+PJ109008	GCCCCCDMH 	C32H51N11O12S6	973.2043	NA	PeJP	NA	NA
+PJ109009	GCCCDDDDE 	C32H47N9O20S3	973.21	NA	PeJP	NA	NA
+PJ109010	SSCCCCCEH 	C32H51N11O14S5	973.2221	NA	PeJP	NA	NA
+FL7AAIGL0021	Malvidin 3-(6''-p-coumarylglucoside)-5-dimalonylglucoside	C44H45O25	973.22499	144940-57-8<BR>144993-57-7	knapsack	NA	NA
+PJ109011	CCCDDDDW 	C36H47N9O17S3	973.2253	NA	PeJP	NA	NA
+PJ109012	CCCCCNYY 	C37H51N9O12S5	973.2261	NA	PeJP	NA	NA
+PJ109013	SSCCDDDDD 	C32H47N9O22S2	973.2277	NA	PeJP	NA	NA
+PJ109014	SPCCCCDDE 	C33H51N9O17S4	973.2286	NA	PeJP	NA	NA
+PJ109015	PPCCCCCDM 	C34H55N9O12S6	973.2295	NA	PeJP	NA	NA
+PJ109016	GCCCCNDQE 	C32H51N11O16S4	973.2398	NA	PeJP	NA	NA
+PJ109017	GCCCNNDDM 	C32H51N11O16S4	973.2399	NA	PeJP	NA	NA
+PJ109018	GSCCCCMMH 	C33H55N11O11S6	973.2407	NA	PeJP	NA	NA
+FL7AAIGL0029	Malvidin 3-O-(6-O-(4-O-malonyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside)	C41H49O27	973.24612	-	knapsack	NA	NA
+PJ109019	GSCCDDDEM 	C33H51N9O19S3	973.2464	NA	PeJP	NA	NA
+PJ109020	APCCCCDEM 	C34H55N9O14S5	973.2472	NA	PeJP	NA	NA
+PJ109021	GPCCCDDMM 	C34H55N9O14S5	973.2473	NA	PeJP	NA	NA
+PJ109022	SCCCCNNNN 	C31H51N13O15S4	973.2511	NA	PeJP	NA	NA
+PJ109023	CCCCNNEW 	C36H51N11O13S4	973.2551	NA	PeJP	NA	NA
+PJ109024	SSCCCNNDE 	C32H51N11O18S3	973.2576	NA	PeJP	NA	NA
+PJ109025	SSTCCCCMH 	C33H55N11O13S5	973.2585	NA	PeJP	NA	NA
+PJ109026	CNDDDDDY 	C36H47N9O21S	973.2608	NA	PeJP	NA	NA
+PJ109027	SCCDDDMW 	C37H51N9O16S3	973.2616	NA	PeJP	NA	NA
+PJ109028	PCCCCEMW 	C38H55N9O11S5	973.2625	NA	PeJP	NA	NA
+PJ109029	SSSCDDDDM 	C33H51N9O21S2	973.2641	NA	PeJP	NA	NA
+PJ109030	CNDDDMMM 	C34H55N9O16S4	973.265	NA	PeJP	NA	NA
+PJ109031	SPPCCCCMM 	C35H59N9O11S6	973.2659	NA	PeJP	NA	NA
+PJ109032	GPCCCCDHH 	C35H51N13O12S4	973.2664	NA	PeJP	NA	NA
+PJ109033	GCCCCNWW 	C40H51N11O10S4	973.2704	NA	PeJP	NA	NA
+PJ109034	GSSCCCNDW 	C36H51N11O15S3	973.2729	NA	PeJP	NA	NA
+PJ109035	CCCCQMHF 	C37H55N11O10S5	973.2737	NA	PeJP	NA	NA
+PJ109036	GSSSSCCNDD 	C32H51N11O20S2	973.2754	NA	PeJP	NA	NA
+PJ109037	CCCDDEMR 	C33H55N11O15S4	973.2762	NA	PeJP	NA	NA
+PJ109038	GGGGGSCCDMM 	C33H55N11O15S4	973.2763	NA	PeJP	NA	NA
+PJ109039	GSPCCDDDY 	C37H51N9O18S2	973.2794	NA	PeJP	NA	NA
+PJ109040	GCCDEMMW 	C38H55N9O13S4	973.2803	NA	PeJP	NA	NA
+HMDB02288	5-cis-8-cis-Tetradecadienoyl-CoA	C35H58N7O17P3S	973.282288	NA	HMDB2010	NA	NA
+HMDB02288	5-cis-8-cis-Tetradecadienoyl-CoA	C35H58N7O17P3S	973.28229	http://www.hmdb.ca/metabolites/HMDB02288	HMDB	NA	NA
+HMDB02288	5-cis-8-cis-Tetradecadienoyl-CoA	C35H58N7O17P3S	973.28229	HMDB02288	PFEM_hmdb_metabocards_official	NA	NA
+PJ109041	GSSCDDEMM 	C34H55N9O18S3	973.2828	NA	PeJP	NA	NA
+PJ109042	GSPCCDMMM 	C35H59N9O13S5	973.2836	NA	PeJP	NA	NA
+PJ109043	CCNDDMHH 	C35H51N13O14S3	973.2841	NA	PeJP	NA	NA
+PJ109044	CCCCCHFR 	C36H55N13O9S5	973.285	NA	PeJP	NA	NA
+PJ109045	GSCCCCNER 	C32H55N13O14S4	973.2875	NA	PeJP	NA	NA
+PJ109046	NDDDDDEH 	C35H47N11O22	973.2898	NA	PeJP	NA	NA
+PJ109047	CCNNNDEY 	C36H51N11O17S2	973.2906	NA	PeJP	NA	NA
+PJ109048	SCCCNQMW 	C37H55N11O12S4	973.2915	NA	PeJP	NA	NA
+PJ109049	SSSCCNNEM 	C33H55N11O17S3	973.294	NA	PeJP	NA	NA
+PJ109050	GCCDDEFW 	C41H51N9O15S2	973.2947	NA	PeJP	NA	NA
+PJ109051	CCNNQMMM 	C34H59N11O12S5	973.2949	NA	PeJP	NA	NA
+PJ109052	GSCCCNNHH 	C34H51N15O13S3	973.2953	NA	PeJP	NA	NA
+PJ109053	GGGGGSCCCHH 	C34H51N15O13S3	973.2954	NA	PeJP	NA	NA
+PJ109054	CCDMMWW 	C42H55N9O10S4	973.2955	NA	PeJP	NA	NA
+PJ109055	SNDDDDMY 	C37H51N9O20S	973.2971	NA	PeJP	NA	NA
+PJ109056	GGSDDDDMY 	C37H51N9O20S	973.2972	NA	PeJP	NA	NA
+PJ109057	SSCDDMMW 	C38H55N9O15S3	973.298	NA	PeJP	NA	NA
+PJ109058	PTCCCMMW 	C39H59N9O10S5	973.2989	NA	PeJP	NA	NA
+PJ109059	GCCCEHHW 	C39H51N13O11S3	973.2994	NA	PeJP	NA	NA
+PJ109060	SSSSDDDMM 	C34H55N9O20S2	973.3005	NA	PeJP	NA	NA
+PJ109061	SNDDMMMM 	C35H59N9O15S4	973.3014	NA	PeJP	NA	NA
+PJ109062	GSSCCDEHH 	C35H51N13O16S2	973.3019	NA	PeJP	NA	NA
+PJ109063	CCEMYYY 	C43H55N7O13S3	973.302	NA	PeJP	NA	NA
+PJ109064	PCCQMMMM 	C36H63N9O10S6	973.3023	NA	PeJP	NA	NA
+PJ109065	SCCCCNRW 	C36H55N13O11S4	973.3027	NA	PeJP	NA	NA
+PJ109066	GDDDDDHW 	C39H47N11O19	973.305	NA	PeJP	NA	NA
+PJ109067	SSSCCCNDR 	C32H55N13O16S3	973.3052	NA	PeJP	NA	NA
+PJ109068	GCCNNDYW 	C40H51N11O14S2	973.3059	NA	PeJP	NA	NA
+PJ109069	CCCNNMMR 	C33H59N13O11S5	973.3061	NA	PeJP	NA	NA
+PJ109070	GSSCNNDDY 	C36H51N11O19S	973.3084	NA	PeJP	NA	NA
+PJ109071	GSSSCCNMW 	C37H55N11O14S3	973.3092	NA	PeJP	NA	NA
+PJ109072	GGGSSSCCMW 	C37H55N11O14S3	973.3093	NA	PeJP	NA	NA
+PJ109073	CCDDFWW 	C45H51N9O12S2	973.3099	NA	PeJP	NA	NA
+PJ109074	CCCCKMHF 	C38H59N11O9S5	973.3101	NA	PeJP	NA	NA
+PJ109075	GSSSSSCNDM 	C33H55N11O19S2	973.3117	NA	PeJP	NA	NA
+PJ109076	GGGSSSSSCDM 	C33H55N11O19S2	973.3118	NA	PeJP	NA	NA
+PJ109077	GSCDDEYW 	C41H51N9O17S	973.3124	NA	PeJP	NA	NA
+PJ109078	SCCDEMMR 	C34H59N11O14S4	973.3126	NA	PeJP	NA	NA
+PJ109079	GPCCDMYW 	C42H55N9O12S3	973.3133	NA	PeJP	NA	NA
+PJ109080	PCCCMMMR 	C35H63N11O9S6	973.3135	NA	PeJP	NA	NA
+PJ109081	CCCHHWW 	C43H51N13O8S3	973.3146	NA	PeJP	NA	NA
+PJ109082	GSSSDDDEY 	C37H51N9O22	973.3149	NA	PeJP	NA	NA
+PJ109083	GNDDEMMY 	C38H55N9O17S2	973.3158	NA	PeJP	NA	NA
+PJ109084	GSCEMMMW 	C39H59N9O12S4	973.3166	NA	PeJP	NA	NA
+PJ109085	GGPCCEMMF 	C39H59N9O12S4	973.3167	NA	PeJP	NA	NA
+PJ109086	SSCCDHHW 	C39H51N13O13S2	973.3171	NA	PeJP	NA	NA
+PJ109087	CCCCCQRR 	C32H59N15O10S5	973.3173	NA	PeJP	NA	NA
+PJ109088	GSSSDEMMM 	C35H59N9O17S3	973.3191	NA	PeJP	NA	NA
+PJ109089	SSSSCDDHH 	C35H51N13O18S	973.3196	NA	PeJP	NA	NA
+PJ109090	GNEMMMMM 	C36H63N9O12S5	973.32	NA	PeJP	NA	NA
+PJ109091	CCCNNDFR 	C36H55N13O13S3	973.3205	NA	PeJP	NA	NA
+PJ109092	SPCDDDHW 	C40H51N11O16S	973.3236	NA	PeJP	NA	NA
+PJ109093	GTTCCCCQR 	C33H59N13O13S4	973.3238	NA	PeJP	NA	NA
+PJ109094	GSSCCCQMR 	C33H59N13O13S4	973.3239	NA	PeJP	NA	NA
+PJ109095	GCCNNMFW 	C41H55N11O11S3	973.3245	NA	PeJP	NA	NA
+PJ109096	SNDDEEEH 	C36H51N11O21	973.3261	NA	PeJP	NA	NA
+PJ109097	GGSDDEEEH 	C36H51N11O21	973.3262	NA	PeJP	NA	NA
+PJ109098	SSSSSCCQW 	C37H55N11O16S2	973.327	NA	PeJP	NA	NA
+PJ109099	SCDDYWW 	C45H51N9O14S	973.3277	NA	PeJP	NA	NA
+PJ109100	SCCCNKMW 	C38H59N11O11S4	973.3279	NA	PeJP	NA	NA
+PJ109101	SSSSSSSCNE 	C33H55N11O21S	973.3295	NA	PeJP	NA	NA
+PJ109102	SSSDDDYW 	C41H51N9O19	973.3302	NA	PeJP	NA	NA
+PJ109103	SSSSCNQMM 	C34H59N11O16S3	973.3304	NA	PeJP	NA	NA
+PJ109104	GSCNNNNDH 	C34H51N15O17S	973.3308	NA	PeJP	NA	NA
+PJ109105	GGGSCNNNDH 	C34H51N15O17S	973.3309	NA	PeJP	NA	NA
+PJ109106	NDDMMYW 	C42H55N9O14S2	973.331	NA	PeJP	NA	NA
+PJ109107	CCNNKMMM 	C35H63N11O11S5	973.3312	NA	PeJP	NA	NA
+PJ109108	GCDMMMMR 	C35H63N11O11S5	973.3313	NA	PeJP	NA	NA
+PJ109109	SCCCEHHR 	C35H55N15O12S3	973.3317	NA	PeJP	NA	NA
+PJ109110	SCMMMWW 	C43H59N9O9S4	973.3319	NA	PeJP	NA	NA
+PJ109111	SSNDEEMY 	C38H55N9O19S	973.3335	NA	PeJP	NA	NA
+PJ109112	SSSDMMMW 	C39H59N9O14S3	973.3344	NA	PeJP	NA	NA
+PJ109113	GCNNDEHW 	C39H51N13O15S	973.3349	NA	PeJP	NA	NA
+PJ109114	PCCYYYY 	C47H55N7O12S2	973.335	NA	PeJP	NA	NA
+PJ109115	GSSCCCCRR 	C32H59N15O12S4	973.3351	NA	PeJP	NA	NA
+PJ109116	NMMMMMW 	C40H63N9O9S5	973.3353	NA	PeJP	NA	NA
+PJ109117	GTCCMHHW 	C40H55N13O10S3	973.3357	NA	PeJP	NA	NA
+PJ109118	SSSSSEEMM 	C35H59N9O19S2	973.3369	NA	PeJP	NA	NA
+PJ109119	SDDDDDHR 	C35H51N13O20	973.3374	NA	PeJP	NA	NA
+PJ109120	SSQEMMMM 	C36H63N9O14S4	973.3378	NA	PeJP	NA	NA
+PJ109121	SCCNNDRY 	C36H55N13O15S2	973.3382	NA	PeJP	NA	NA
+PJ109122	GGGGSCCDRY 	C36H55N13O15S2	973.3383	NA	PeJP	NA	NA
+PJ109123	TCMMYYY 	C44H59N7O12S3	973.3384	NA	PeJP	NA	NA
+PJ109124	PCCKMMMM 	C37H67N9O9S6	973.3386	NA	PeJP	NA	NA
+PJ109125	GCQMMMHH 	C37H59N13O10S4	973.3391	NA	PeJP	NA	NA
+PJ109126	SCCNHHHH 	C37H51N17O11S2	973.3396	NA	PeJP	NA	NA
+PJ109127	GSDDEEHW 	C40H51N11O18	973.3414	NA	PeJP	NA	NA
+PJ109128	SSSSCCNMR 	C33H59N13O15S3	973.3416	NA	PeJP	NA	NA
+PJ109129	CCDERYW 	C41H55N11O13S2	973.3423	NA	PeJP	NA	NA
+PJ109130	CCCCQKMR 	C34H63N13O10S5	973.3425	NA	PeJP	NA	NA
+PJ109131	GSSSCNQEY 	C37H55N11O18S	973.3447	NA	PeJP	NA	NA
+PJ109132	GSSSSSSSCW 	C37H55N11O18S	973.3448	NA	PeJP	NA	NA
+PJ109133	NDDDFYW 	C45H51N9O16	973.3454	NA	PeJP	NA	NA
+PJ109134	GSSTCCCKW 	C38H59N11O13S3	973.3456	NA	PeJP	NA	NA
+PJ109135	GGGGGGGMMMY 	C38H59N11O13S3	973.3457	NA	PeJP	NA	NA
+PJ109136	PCNDDHHH 	C38H51N15O14S	973.3461	NA	PeJP	NA	NA
+PJ109137	GCEMYWW 	C46H55N9O11S2	973.3463	NA	PeJP	NA	NA
+PJ109138	GSSSSSSSSSD 	C33H55N11O23	973.3473	NA	PeJP	NA	NA
+PJ109139	GSSSSSSNMM 	C34H59N11O18S2	973.3481	NA	PeJP	NA	NA
+PJ109140	GSSDEMYW 	C42H55N9O16S	973.3488	NA	PeJP	NA	NA
+PJ109141	SSCEMMMR 	C35H63N11O13S4	973.349	NA	PeJP	NA	NA
+PJ109142	CNNNNQMH 	C35H55N15O14S2	973.3495	NA	PeJP	NA	NA
+PJ109143	NDMMMFW 	C43H59N9O11S3	973.3496	NA	PeJP	NA	NA
+PJ109144	GSPCMMYW 	C43H59N9O11S3	973.3497	NA	PeJP	NA	NA
+PJ109145	CNNDHWW 	C43H51N13O12S	973.3501	NA	PeJP	NA	NA
+PJ109146	GCCMMHHR 	C36H59N15O9S4	973.3504	NA	PeJP	NA	NA
+PJ109147	GSSSSEEEY 	C38H55N9O21	973.3513	NA	PeJP	NA	NA
+PJ109148	GSSSPDMMY 	C39H59N9O16S2	973.3521	NA	PeJP	NA	NA
+PJ109149	GSQEEMMY 	C39H59N9O16S2	973.3522	NA	PeJP	NA	NA
+PJ109150	SSNNDDHW 	C39H51N13O17	973.3526	NA	PeJP	NA	NA
+PJ109151	GDMYYYY 	C47H55N7O14S	973.3528	NA	PeJP	NA	NA
+PJ109152	GSTMMMMW 	C40H63N9O11S4	973.353	NA	PeJP	NA	NA
+PJ109153	SSSCMHHW 	C40H55N13O12S2	973.3535	NA	PeJP	NA	NA
+PJ109154	CCCCCKRR 	C33H63N15O9S5	973.3537	NA	PeJP	NA	NA
+PJ109155	EEEEEFY 	C43H55N7O19	973.3553	NA	PeJP	NA	NA
+PJ109156	GSSTTEMMM 	C36H63N9O16S3	973.3555	NA	PeJP	NA	NA
+PJ109157	GDDDEMHR 	C36H55N13O17S	973.356	NA	PeJP	NA	NA
+PJ109158	GDKMMMMM 	C37H67N9O11S5	973.3564	NA	PeJP	NA	NA
+PJ109159	SDDEHWW 	C44H51N11O15	973.3567	NA	PeJP	NA	NA
+PJ109160	GCCNQMRY 	C37H59N13O12S3	973.3569	NA	PeJP	NA	NA
+PJ109161	PCDMHWW 	C45H55N11O10S2	973.3575	NA	PeJP	NA	NA
+PJ109162	GSSSSSTCCR 	C33H59N13O17S2	973.3594	NA	PeJP	NA	NA
+PJ109163	SSSCNQYW 	C41H55N11O15S	973.36	NA	PeJP	NA	NA
+PJ109164	GSSCCCKMR 	C34H63N13O12S4	973.3602	NA	PeJP	NA	NA
+PJ109165	CCNNNNHR 	C34H55N17O13S2	973.3607	NA	PeJP	NA	NA
+PJ109166	CCEMFRW 	C42H59N11O10S3	973.3609	NA	PeJP	NA	NA
+PJ109167	CMYWWW 	C50H55N9O8S2	973.3615	NA	PeJP	NA	NA
+PJ109168	SSSSSNNEY 	C37H55N11O20	973.3625	NA	PeJP	NA	NA
+PJ109169	GGGGGGPEEEE 	C37H55N11O20	973.3626	NA	PeJP	NA	NA
+PJ109170	SSSSSCCKW 	C38H59N11O15S2	973.3634	NA	PeJP	NA	NA
+PJ109171	GNDEEHHH 	C38H51N15O16	973.3639	NA	PeJP	NA	NA
+PJ109172	SSDMYWW 	C46H55N9O13S	973.364	NA	PeJP	NA	NA
+PJ109173	GGDDMFFW 	C46H55N9O13S	973.3641	NA	PeJP	NA	NA
+PJ109174	TCCCCKKW 	C39H63N11O10S4	973.3643	NA	PeJP	NA	NA
+PJ109175	GCCDHHFR 	C39H55N15O11S2	973.3647	NA	PeJP	NA	NA
+PJ109176	ACMMFWW 	C47H59N9O8S3	973.3649	NA	PeJP	NA	NA
+PJ109177	SSSSSSSSQM 	C34H59N11O20S	973.3659	NA	PeJP	NA	NA
+PJ109178	SSSSEEYW 	C42H55N9O18	973.3665	NA	PeJP	NA	NA
+PJ109179	SPPDDEEW 	C42H55N9O18	973.3666	NA	PeJP	NA	NA
+PJ109180	SSSSCNKMM 	C35H63N11O15S3	973.3668	NA	PeJP	NA	NA
+PJ109181	SCNNDEHR 	C35H55N15O16S	973.3672	NA	PeJP	NA	NA
+PJ109182	GGGGSCDEHR 	C35H55N15O16S	973.3673	NA	PeJP	NA	NA
+PJ109183	SQEMMYW 	C43H59N9O13S2	973.3674	NA	PeJP	NA	NA
+PJ109184	GSMMMMMR 	C36H67N11O10S5	973.3676	NA	PeJP	NA	NA
+PJ109185	GCCCNRRY 	C36H59N15O11S3	973.3681	NA	PeJP	NA	NA
+PJ109186	MMMMHFF 	C44H63N9O8S4	973.3683	NA	PeJP	NA	NA
+PJ109187	CNMHHFW 	C44H55N13O9S2	973.3688	NA	PeJP	NA	NA
+PJ109188	SSTQEEMY 	C39H59N9O18S	973.3699	NA	PeJP	NA	NA
+PJ109189	SSEYYYY 	C47H55N7O16	973.3705	NA	PeJP	NA	NA
+PJ109190	SSTTMMMW 	C40H63N9O13S3	973.3708	NA	PeJP	NA	NA
+PJ109191	DDDMHRW 	C40H55N13O14S	973.3713	NA	PeJP	NA	NA
+PJ109192	GMMFYYY 	C48H59N7O11S2	973.3714	NA	PeJP	NA	NA
+PJ109193	PCCCKHHF 	C41H59N13O9S3	973.3721	NA	PeJP	NA	NA
+PJ109194	SSSTTTEMM 	C36H63N9O18S2	973.3733	NA	PeJP	NA	NA
+PJ109195	GSSSNQEEH 	C36H55N13O19	973.3737	NA	PeJP	NA	NA
+PJ109196	SSDDEEHR 	C36H55N13O19	973.3738	NA	PeJP	NA	NA
+PJ109197	TTTQMMMM 	C37H67N9O13S4	973.3741	NA	PeJP	NA	NA
+PJ109198	SSKEMMMM 	C37H67N9O13S4	973.3742	NA	PeJP	NA	NA
+PJ109199	SSCNNMRY 	C37H59N13O14S2	973.3746	NA	PeJP	NA	NA
+PJ109200	GGGGGAAEMMH 	C37H59N13O14S2	973.3747	NA	PeJP	NA	NA
+PJ109201	SNNNDHHH 	C37H51N17O15	973.3751	NA	PeJP	NA	NA
+PJ109202	GEEMHWW 	C45H55N11O12S	973.3753	NA	PeJP	NA	NA
+PJ109203	PPCCMMHR 	C38H63N13O9S4	973.3755	NA	PeJP	NA	NA
+PJ109204	SSSSSSSSCR 	C33H59N13O19S	973.3771	NA	PeJP	NA	NA
+PJ109205	GSSSSSNYW 	C41H55N11O17	973.3778	NA	PeJP	NA	NA
+PJ109206	SSSTCCCKR 	C34H63N13O14S3	973.378	NA	PeJP	NA	NA
+PJ109207	SCEMRYW 	C42H59N11O12S2	973.3786	NA	PeJP	NA	NA
+PJ109208	GGSSCCKFW 	C42H59N11O12S2	973.3787	NA	PeJP	NA	NA
+PJ109209	CCCCKKMR 	C35H67N13O9S5	973.3789	NA	PeJP	NA	NA
+PJ109210	NDEHHHW 	C42H51N15O13	973.3791	NA	PeJP	NA	NA
+PJ109211	GPCYYWW 	C50H55N9O10S	973.3793	NA	PeJP	NA	NA
+PJ109212	SSSDEMRY 	C38H59N11O17S	973.3811	NA	PeJP	NA	NA
+PJ109213	GGGGGSSTTMY 	C38H59N11O17S	973.3812	NA	PeJP	NA	NA
+PJ109214	GQEEYYW 	C46H55N9O15	973.3818	NA	PeJP	NA	NA
+PJ109215	NEMMMRY 	C39H63N11O12S3	973.382	NA	PeJP	NA	NA
+PJ109216	GSCNDHRW 	C39H55N15O13S	973.3825	NA	PeJP	NA	NA
+PJ109217	GTMMYWW 	C47H59N9O10S2	973.3827	NA	PeJP	NA	NA
+PJ109218	GSSSSSSSSTT 	C34H59N11O22	973.3836	NA	PeJP	NA	NA
+PJ109219	GSSSSSTCKM 	C35H63N11O17S2	973.3845	NA	PeJP	NA	NA
+PJ109220	GSSSNDDHR 	C35H55N15O18	973.385	NA	PeJP	NA	NA
+PJ109221	GSTTEMYW 	C43H59N9O15S	973.3852	NA	PeJP	NA	NA
+PJ109222	SSTMMMMR 	C36H67N11O12S4	973.3854	NA	PeJP	NA	NA
+PJ109223	GDFFYYY 	C51H55N7O13	973.3858	NA	PeJP	NA	NA
+PJ109224	GNNDMMHR 	C36H59N15O13S2	973.3859	NA	PeJP	NA	NA
+PJ109225	VNMMMYW 	C44H63N9O10S3	973.386	NA	PeJP	NA	NA
+PJ109226	GGGPMMMFF 	C44H63N9O10S3	973.3861	NA	PeJP	NA	NA
+PJ109227	SNNMHWW 	C44H55N13O11S	973.3865	NA	PeJP	NA	NA
+PJ109228	GSSTTTEEY 	C39H59N9O20	973.3877	NA	PeJP	NA	NA
+PJ109229	GSKEEMMY 	C40H63N9O15S2	973.3885	NA	PeJP	NA	NA
+PJ109230	GSPPPEEMM 	C40H63N9O15S2	973.3886	NA	PeJP	NA	NA
+PJ109231	GPNDDDRW 	C40H55N13O16	973.389	NA	PeJP	NA	NA
+PJ109232	ATMYYYY 	C48H59N7O13S	973.3892	NA	PeJP	NA	NA
+PJ109233	APCKMMMY 	C41H67N9O10S4	973.3894	NA	PeJP	NA	NA
+PJ109234	NQQMMHW 	C41H59N13O11S2	973.3899	NA	PeJP	NA	NA
+PJ109235	EMHWWW 	C49H55N11O9S	973.3905	NA	PeJP	NA	NA
+PJ109236	LEEEEYY 	C44H59N7O18	973.3917	NA	PeJP	NA	NA
+PJ109237	SSSSTLMMM 	C37H67N9O15S3	973.3919	NA	PeJP	NA	NA
+PJ109238	GSSSSCQRY 	C37H59N13O16S	973.3924	NA	PeJP	NA	NA
+PJ109239	ATKMMMMM 	C38H71N9O10S5	973.3928	NA	PeJP	NA	NA
+PJ109240	STEEHWW 	C45H55N11O14	973.393	NA	PeJP	NA	NA
+PJ109241	GGGGPEEWW 	C45H55N11O14	973.3931	NA	PeJP	NA	NA
+PJ109242	CDMMRRY 	C38H63N13O11S3	973.3933	NA	PeJP	NA	NA
+PJ109243	GNNQMHHH 	C38H55N17O12S	973.3937	NA	PeJP	NA	NA
+PJ109244	GGGGGGAMHHH 	C38H55N17O12S	973.3938	NA	PeJP	NA	NA
+PJ109245	SPMMHWW 	C46H59N11O9S2	973.3939	NA	PeJP	NA	NA
+PJ109246	GDHHHWW 	C46H51N15O10	973.3944	NA	PeJP	NA	NA
+PJ109247	CFFWWW 	C54H55N9O7S	973.3946	NA	PeJP	NA	NA
+PJ109248	NNNNNNDR 	C34H55N17O17	973.3962	NA	PeJP	NA	NA
+PJ109249	GGGGGGGGNNDR 	C34H55N17O17	973.3963	NA	PeJP	NA	NA
+PJ109250	SSSCNKYW 	C42H59N11O14S	973.3964	NA	PeJP	NA	NA
+PJ109251	QEYYWW 	C50H55N9O12	973.397	NA	PeJP	NA	NA
+PJ109252	GAEYYWW 	C50H55N9O12	973.3971	NA	PeJP	NA	NA
+PJ109253	GMMMRYW 	C43H63N11O9S3	973.3973	NA	PeJP	NA	NA
+PJ109254	GPTCHHHW 	C43H55N15O10S	973.3978	NA	PeJP	NA	NA
+PJ109255	SSSSSNDKY 	C38H59N11O19	973.3989	NA	PeJP	NA	NA
+PJ109256	GSTEMMRY 	C39H63N11O14S2	973.3998	NA	PeJP	NA	NA
+PJ109257	GNNNNQQW 	C39H55N15O15	973.4002	NA	PeJP	NA	NA
+PJ109258	GGGGGNNQQW 	C39H55N15O15	973.4003	NA	PeJP	NA	NA
+PJ109259	STTMYWW 	C47H59N9O12S	973.4004	NA	PeJP	NA	NA
+PJ109260	QMMMMFR 	C40H67N11O9S4	973.4006	NA	PeJP	NA	NA
+PJ109261	GAMMMMFR 	C40H67N11O9S4	973.4007	NA	PeJP	NA	NA
+PJ109262	CNQMHRW 	C40H59N15O10S2	973.4011	NA	PeJP	NA	NA
+PJ109263	CHHHFFF 	C48H55N13O8S	973.4018	NA	PeJP	NA	NA
+PJ109264	SSSSSSSSKM 	C35H63N11O19S	973.4023	NA	PeJP	NA	NA
+PJ109265	SSTTTEYW 	C43H59N9O17	973.4029	NA	PeJP	NA	NA
+PJ109266	SSSTCCKKM 	C36H67N11O14S3	973.4031	NA	PeJP	NA	NA
+PJ109267	SSNNEMHR 	C36H59N15O15S	973.4036	NA	PeJP	NA	NA
+PJ109268	GGGGGGGGPDMR 	C36H59N15O15S	973.4037	NA	PeJP	NA	NA
+PJ109269	SKEMMYW 	C44H63N9O12S2	973.4038	NA	PeJP	NA	NA
+PJ109270	CCCKKKMM 	C37H71N11O9S5	973.404	NA	PeJP	NA	NA
+PJ109271	GSSSQHWW 	C44H55N13O13	973.4043	NA	PeJP	NA	NA
+PJ109272	GMFFFYY 	C52H59N7O10S	973.4044	NA	PeJP	NA	NA
+PJ109273	PCCCQKHR 	C37H63N15O10S3	973.4045	NA	PeJP	NA	NA
+PJ109274	GCNNHHHR 	C37H55N19O11S	973.405	NA	PeJP	NA	NA
+PJ109275	SSTKEEMY 	C40H63N9O17S	973.4063	NA	PeJP	NA	NA
+PJ109276	TTTYYYY 	C48H59N7O15	973.4069	NA	PeJP	NA	NA
+PJ109277	AAKEMMMY 	C41H67N9O12S3	973.4072	NA	PeJP	NA	NA
+PJ109278	SEEMHRW 	C41H59N13O13S	973.4076	NA	PeJP	NA	NA
+PJ109279	GGSPPCDRW 	C41H59N13O13S	973.4077	NA	PeJP	NA	NA
+PJ109280	GPNEWWW 	C49H55N11O11	973.4083	NA	PeJP	NA	NA
+PJ109281	STTTTTTMM 	C37H67N9O17S2	973.4097	NA	PeJP	NA	NA
+PJ109282	SSSSSSNRY 	C37H59N13O18	973.4101	NA	PeJP	NA	NA
+PJ109283	GGSPNEEER 	C37H59N13O18	973.4102	NA	PeJP	NA	NA
+PJ109284	TTTKMMMM 	C38H71N9O12S4	973.4105	NA	PeJP	NA	NA
+PJ109285	SSCCQKRY 	C38H63N13O13S2	973.411	NA	PeJP	NA	NA
+PJ109286	GSDEHHHR 	C38H55N17O14	973.4115	NA	PeJP	NA	NA
+PJ109287	SPCRYYW 	C46H59N11O11S	973.4116	NA	PeJP	NA	NA
+PJ109288	SVEMHWW 	C46H59N11O11S	973.4117	NA	PeJP	NA	NA
+PJ109289	CMMMFRR 	C39H67N13O8S4	973.4119	NA	PeJP	NA	NA
+PJ109290	AYYWWW 	C54H55N9O9	973.4123	NA	PeJP	NA	NA
+PJ109291	CCNHRRW 	C39H59N17O9S2	973.4124	NA	PeJP	NA	NA
+PJ109292	GSTQQQYY 	C42H59N11O16	973.4141	NA	PeJP	NA	NA
+PJ109293	PEEEERW 	C42H59N11O16	973.4142	NA	PeJP	NA	NA
+PJ109294	SSCNDHRR 	C35H59N17O14S	973.4148	NA	PeJP	NA	NA
+PJ109295	GGSSCDHRR 	C35H59N17O14S	973.4149	NA	PeJP	NA	NA
+PJ109296	STMMRYW 	C43H63N11O11S2	973.415	NA	PeJP	NA	NA
+PJ109297	GGGAAPPMMW 	C43H63N11O11S2	973.4151	NA	PeJP	NA	NA
+PJ109298	TQEHHHW 	C43H55N15O12	973.4155	NA	PeJP	NA	NA
+PJ109299	AAMFYWW 	C51H59N9O9S	973.4157	NA	PeJP	NA	NA
+PJ109300	SSTTEMRY 	C39H63N11O16S	973.4175	NA	PeJP	NA	NA
+PJ109301	GGGGPLQEEM 	C39H63N11O16S	973.4176	NA	PeJP	NA	NA
+PJ109302	PVEEEWW 	C47H59N9O14	973.4182	NA	PeJP	NA	NA
+PJ109303	DKMMMRY 	C40H67N11O11S3	973.4184	NA	PeJP	NA	NA
+PJ109304	GSSNMHRW 	C40H59N15O12S	973.4189	NA	PeJP	NA	NA
+PJ109305	PCKMFYW 	C48H63N9O9S2	973.4191	NA	PeJP	NA	NA
+PJ109306	GNQHFWW 	C48H55N13O10	973.4195	NA	PeJP	NA	NA
+PJ109307	SPNDDDRR 	C36H59N15O17	973.4214	NA	PeJP	NA	NA
+PJ109308	SSSTLMYW 	C44H63N9O14S	973.4215	NA	PeJP	NA	NA
+PJ109309	SPPVEEMW 	C44H63N9O14S	973.4216	NA	PeJP	NA	NA
+PJ109310	GVFYYYY 	C52H59N7O12	973.4222	NA	PeJP	NA	NA
+PJ109311	DEMMHRR 	C37H63N15O12S2	973.4223	NA	PeJP	NA	NA
+PJ109312	CLKMMYW 	C45H67N9O9S3	973.4224	NA	PeJP	NA	NA
+PJ109313	SCQKHWW 	C45H59N13O10S	973.4229	NA	PeJP	NA	NA
+PJ109314	PNWWWW 	C53H55N11O8	973.4235	NA	PeJP	NA	NA
+PJ109315	GGPWWWW 	C53H55N11O8	973.4236	NA	PeJP	NA	NA
+PJ109316	SSSSTTLEY 	C40H63N9O19	973.424	NA	PeJP	NA	NA
+PJ109317	PVDKEEEE 	C40H63N9O19	973.4241	NA	PeJP	NA	NA
+PJ109318	ATTKEMMY 	C41H67N9O14S2	973.4249	NA	PeJP	NA	NA
+PJ109319	GSPNEERW 	C41H59N13O15	973.4254	NA	PeJP	NA	NA
+PJ109320	GVKMMMMF 	C42H71N9O9S4	973.4258	NA	PeJP	NA	NA
+PJ109321	VDMMHRW 	C42H63N13O10S2	973.4263	NA	PeJP	NA	NA
+PJ109322	SDHHHRW 	C42H55N17O11	973.4267	NA	PeJP	NA	NA
+PJ109323	APMHFWW 	C50H59N11O8S	973.4269	NA	PeJP	NA	NA
+PJ109324	GSSSSCKRY 	C38H63N13O15S	973.4288	NA	PeJP	NA	NA
+PJ109325	PNDKEWW 	C46H59N11O13	973.4294	NA	PeJP	NA	NA
+PJ109326	SMMMRRY 	C39H67N13O10S3	973.4296	NA	PeJP	NA	NA
+PJ109327	GAPCCKKMH 	C39H67N13O10S3	973.4297	NA	PeJP	NA	NA
+PJ109328	QEMHHHR 	C39H59N17O11S	973.4301	NA	PeJP	NA	NA
+PJ109329	ALMMHWW 	C47H63N11O8S2	973.4303	NA	PeJP	NA	NA
+PJ109330	ATHHHWW 	C47H55N15O9	973.4308	NA	PeJP	NA	NA
+PJ109331	GNNNDERR 	C35H59N17O16	973.4326	NA	PeJP	NA	NA
+PJ109332	GGGGGGGGGGGATR 	C35H59N17O16	973.4327	NA	PeJP	NA	NA
+PJ109333	GTTLEMHW 	C43H63N11O13S	973.4328	NA	PeJP	NA	NA
+PJ109334	KEYYWW 	C51H59N9O11	973.4334	NA	PeJP	NA	NA
+PJ109335	GAAEFFFW 	C51H59N9O11	973.4335	NA	PeJP	NA	NA
+PJ109336	VQMHHHW 	C44H59N15O9S	973.4341	NA	PeJP	NA	NA
+PJ109337	SSSSSTQKY 	C39H63N11O18	973.4353	NA	PeJP	NA	NA
+PJ109338	SSSLMMRY 	C40H67N11O13S2	973.4361	NA	PeJP	NA	NA
+PJ109339	ATTTMMRY 	C40H67N11O13S2	973.4362	NA	PeJP	NA	NA
+PJ109340	SSSSQHRW 	C40H59N15O14	973.4366	NA	PeJP	NA	NA
+PJ109341	GGGGGAQERW 	C40H59N15O14	973.4367	NA	PeJP	NA	NA
+PJ109342	SPKMYYW 	C48H63N9O11S	973.4368	NA	PeJP	NA	NA
+PJ109343	KMMMMFR 	C41H71N11O8S4	973.437	NA	PeJP	NA	NA
+PJ109344	GPPCCRRW 	C41H63N15O9S2	973.4375	NA	PeJP	NA	NA
+PJ109345	AAQHHHHH 	C41H55N19O10	973.438	NA	PeJP	NA	NA
+PJ109346	TTTTTTYW 	C44H63N9O16	973.4393	NA	PeJP	NA	NA
+PJ109347	GPNDEMRR 	C37H63N15O14S	973.44	NA	PeJP	NA	NA
+PJ109348	APPLEMMW 	C45H67N9O11S2	973.4402	NA	PeJP	NA	NA
+PJ109349	SPNERWW 	C45H59N13O12	973.4406	NA	PeJP	NA	NA
+PJ109350	GGSPERWW 	C45H59N13O12	973.4407	NA	PeJP	NA	NA
+PJ109351	PCCCKKHR 	C38H67N15O9S3	973.4409	NA	PeJP	NA	NA
+PJ109352	CEHHHRR 	C38H59N19O10S	973.4414	NA	PeJP	NA	NA
+PJ109353	TTTTKEMY 	C41H67N9O16S	973.4427	NA	PeJP	NA	NA
+PJ109354	GTLKMMMY 	C42H71N9O11S3	973.4436	NA	PeJP	NA	NA
+PJ109355	PQQEMRW 	C42H63N13O12S	973.444	NA	PeJP	NA	NA
+PJ109356	GGGGGGAPKMW 	C42H63N13O12S	973.4441	NA	PeJP	NA	NA
+PJ109357	GPDKWWW 	C50H59N11O10	973.4447	NA	PeJP	NA	NA
+PJ109358	AMHHHRW 	C43H59N17O8S	973.4454	NA	PeJP	NA	NA
+PJ109359	TTTTEEHR 	C38H63N13O17	973.4465	NA	PeJP	NA	NA
+PJ109360	GGGGALEEER 	C38H63N13O17	973.4466	NA	PeJP	NA	NA
+PJ109361	SSCCKKRY 	C39H67N13O12S2	973.4474	NA	PeJP	NA	NA
+PJ109362	NNNDRRW 	C39H59N17O13	973.4479	NA	PeJP	NA	NA
+PJ109363	TTLMHWW 	C47H63N11O10S	973.448	NA	PeJP	NA	NA
+PJ109364	GGPLQMWW 	C47H63N11O10S	973.4481	NA	PeJP	NA	NA
+PJ109365	AAFFFWW 	C55H59N9O8	973.4487	NA	PeJP	NA	NA
+PJ109366	NHHHHHR 	C40H55N21O9	973.4492	NA	PeJP	NA	NA
+PJ109367	STTTLEHW 	C43H63N11O15	973.4505	NA	PeJP	NA	NA
+PJ109368	GPTQKEEW 	C43H63N11O15	973.4506	NA	PeJP	NA	NA
+PJ109369	SSSNMHRR 	C36H63N17O13S	973.4512	NA	PeJP	NA	NA
+PJ109370	GPCDDRRR 	C36H63N17O13S	973.4513	NA	PeJP	NA	NA
+PJ109371	LKEMMHW 	C44H67N11O10S2	973.4514	NA	PeJP	NA	NA
+PJ109372	GNQQRWW 	C44H59N15O11	973.4519	NA	PeJP	NA	NA
+PJ109373	PCKFFFW 	C52H63N9O8S	973.4521	NA	PeJP	NA	NA
+PJ109374	TTTTTMRY 	C40H67N11O15S	973.4539	NA	PeJP	NA	NA
+PJ109375	SVKEYYW 	C48H63N9O13	973.4546	NA	PeJP	NA	NA
+PJ109376	ACCKKKMY 	C41H71N11O10S3	973.4548	NA	PeJP	NA	NA
+PJ109377	PNDMRRW 	C41H63N15O11S	973.4553	NA	PeJP	NA	NA
+PJ109378	CLKMFFW 	C49H67N9O8S2	973.4554	NA	PeJP	NA	NA
+PJ109379	GSPRWWW 	C49H59N13O9	973.4559	NA	PeJP	NA	NA
+PJ109380	VTNNNQER 	C37H63N15O16	973.4577	NA	PeJP	NA	NA
+PJ109381	QQEEERR 	C37H63N15O16	973.4578	NA	PeJP	NA	NA
+PJ109382	PPTTLEMW 	C45H67N9O13S	973.4579	NA	PeJP	NA	NA
+PJ109383	GPLLEEMW 	C45H67N9O13S	973.458	NA	PeJP	NA	NA
+PJ109384	SPPCQMRR 	C38H67N15O11S2	973.4586	NA	PeJP	NA	NA
+PJ109385	GGGGCCKKKH 	C38H67N15O11S2	973.4587	NA	PeJP	NA	NA
+PJ109386	APQMRWW 	C46H63N13O9S	973.4593	NA	PeJP	NA	NA
+PJ109387	LHFWWW 	C54H59N11O7	973.4599	NA	PeJP	NA	NA
+PJ109388	SSTTTTTLY 	C41H67N9O18	973.4604	NA	PeJP	NA	NA
+PJ109389	PTLKEEEE 	C41H67N9O18	973.4605	NA	PeJP	NA	NA
+PJ109390	STTLKMMY 	C42H71N9O13S2	973.4613	NA	PeJP	NA	NA
+PJ109391	VQQEERW 	C42H63N13O14	973.4618	NA	PeJP	NA	NA
+PJ109392	TLMMHRW 	C43H67N13O9S2	973.4627	NA	PeJP	NA	NA
+PJ109393	TTHHHRW 	C43H59N17O10	973.4631	NA	PeJP	NA	NA
+PJ109394	STTLEMHR 	C39H67N13O14S	973.4651	NA	PeJP	NA	NA
+PJ109395	VTTTEMHR 	C39H67N13O14S	973.4652	NA	PeJP	NA	NA
+PJ109396	PTQKEWW 	C47H63N11O12	973.4658	NA	PeJP	NA	NA
+PJ109397	GVLMMMHR 	C40H71N13O9S3	973.466	NA	PeJP	NA	NA
+PJ109398	NNMHFRR 	C40H63N17O10S	973.4665	NA	PeJP	NA	NA
+PJ109399	LHHHHFF 	C48H59N15O8	973.4672	NA	PeJP	NA	NA
+PJ109400	NDEERRR 	C36H63N17O15	973.469	NA	PeJP	NA	NA
+PJ109401	SSTLLMHW 	C44H67N11O12S	973.4692	NA	PeJP	NA	NA
+PJ109402	PPLEFWW 	C52H63N9O10	973.4698	NA	PeJP	NA	NA
+PJ109403	SPPCCRRR 	C37H67N17O10S2	973.4699	NA	PeJP	NA	NA
+PJ109404	APCRRWW 	C45H63N15O8S	973.4705	NA	PeJP	NA	NA
+PJ109405	SSSSSTKKY 	C40H67N11O17	973.4717	NA	PeJP	NA	NA
+PJ109406	SSCKKKMY 	C41H71N11O12S2	973.4725	NA	PeJP	NA	NA
+PJ109407	PPTLEMMR 	C41H71N11O12S2	973.4726	NA	PeJP	NA	NA
+PJ109408	AQEERRW 	C41H63N15O13	973.473	NA	PeJP	NA	NA
+PJ109409	GGGGGGGGGKKW 	C41H63N15O13	973.4731	NA	PeJP	NA	NA
+PJ109410	PLLEMWW 	C49H67N9O10S	973.4732	NA	PeJP	NA	NA
+PJ109411	PMMHFRR 	C42H67N15O8S2	973.4739	NA	PeJP	NA	NA
+PJ109412	GPPHHHHR 	C42H59N19O9	973.4744	NA	PeJP	NA	NA
+PJ109413	GVLLEEEW 	C45H67N9O15	973.4757	NA	PeJP	NA	NA
+PJ109414	GPTQEMRR 	C38H67N15O13S	973.4764	NA	PeJP	NA	NA
+PJ109415	SPPLLMMW 	C46H71N9O10S2	973.4766	NA	PeJP	NA	NA
+PJ109416	GLQERWW 	C46H63N13O11	973.477	NA	PeJP	NA	NA
+PJ109417	GGALERWW 	C46H63N13O11	973.4771	NA	PeJP	NA	NA
+PJ109418	LMMMHRR 	C39H71N15O8S3	973.4773	NA	PeJP	NA	NA
+PJ109419	TMHHHRR 	C39H63N19O9S	973.4777	NA	PeJP	NA	NA
+PJ109420	PVLKEEEM 	C42H71N9O15S	973.4791	NA	PeJP	NA	NA
+PJ109421	AAPPLLMMM 	C43H75N9O10S3	973.4799	NA	PeJP	NA	NA
+PJ109422	GPPVVLMMM 	C43H75N9O10S3	973.48	NA	PeJP	NA	NA
+8300	ACE inhibitor	EKERERQ	973.48	Bile-acid glycine conjugates  ;SYN:(23R)-Hydroxychenodeoxycholylglycine; 12-Deoxycholylglycine; 12-Desoxycholylglycine; 3a,7a-Dihydroxy-N-(carboxymethyl)-5b-cholan-24-amide; Chenodeoxycholic acid glycine conjugate; Chenodeoxycholylglycine;  Glycine chenodeoxycholate; Glycochenodeoxycholate; Glycochenodeoxycholic acid; Glycylchenodeoxycholate; Glycylchenodeoxycholic acid; N-(3a,7a-dihydroxy-5b-cholan-24-oyl)-Glycine; N-(carboxymethyl)-3a,7a-dihydroxy-5b-Cholan-24-amideH2Bile; Blood; Urine	Inhouse_peptide	NA	peptide
+PJ109423	GSNNDRRR 	C35H63N19O14	973.4802	NA	PeJP	NA	NA
+PJ109424	GGGGGSDRRR 	C35H63N19O14	973.4803	NA	PeJP	NA	NA
+PJ109425	PQKEMRW 	C43H67N13O11S	973.4804	NA	PeJP	NA	NA
+PJ109426	APTKWWW 	C51H63N11O9	973.4811	NA	PeJP	NA	NA
+PJ109427	GVQKEEER 	C39H67N13O16	973.4829	NA	PeJP	NA	NA
+PJ109428	SSLLMMHR 	C40H71N13O11S2	973.4838	NA	PeJP	NA	NA
+PJ109429	SNQQRRW 	C40H63N17O12	973.4842	NA	PeJP	NA	NA
+PJ109430	GDERRRW 	C40H63N17O12	973.4843	NA	PeJP	NA	NA
+PJ109431	PVQKMWW 	C48H67N11O9S	973.4844	NA	PeJP	NA	NA
+PJ109432	LLEEERW 	C44H67N11O14	973.4869	NA	PeJP	NA	NA
+PJ109433	GGGVLKEEW 	C44H67N11O14	973.487	NA	PeJP	NA	NA
+PJ109434	GSPDMRRR 	C37H67N17O12S	973.4876	NA	PeJP	NA	NA
+PJ109435	GGGGGGGLMRR 	C37H67N17O12S	973.4877	NA	PeJP	NA	NA
+PJ109436	GPPKKMMW 	C45H71N11O9S2	973.4878	NA	PeJP	NA	NA
+PJ109437	AAERRWW 	C45H63N15O10	973.4883	NA	PeJP	NA	NA
+PJ109438	SPLLEEMR 	C41H71N11O14S	973.4903	NA	PeJP	NA	NA
+PJ109439	TTLKYYW 	C49H67N9O12	973.4909	NA	PeJP	NA	NA
+PJ109440	VLLEEWW 	C49H67N9O12	973.491	NA	PeJP	NA	NA
+PJ109441	PPVLMMMR 	C42H75N11O9S3	973.4912	NA	PeJP	NA	NA
+PJ109442	PTQMRRW 	C42H67N15O10S	973.4916	NA	PeJP	NA	NA
+PJ109443	GAPTMRRW 	C42H67N15O10S	973.4917	NA	PeJP	NA	NA
+PJ109444	LQRWWW 	C50H63N13O8	973.4923	NA	PeJP	NA	NA
+PJ109445	ASVQEERR 	C38H67N15O15	973.4941	NA	PeJP	NA	NA
+PJ109446	QKEEERR 	C38H67N15O15	973.4942	NA	PeJP	NA	NA
+PJ109447	SPVLLEMW 	C46H71N9O12S	973.4943	NA	PeJP	NA	NA
+PJ109448	GPVQMMRR 	C39H71N15O10S2	973.495	NA	PeJP	NA	NA
+PJ109449	GSPQHHRR 	C39H63N19O11	973.4955	NA	PeJP	NA	NA
+PJ109450	APKMRWW 	C47H67N13O8S	973.4957	NA	PeJP	NA	NA
+MJ098986	Glomosporin 	C42H71N9O17	973.496791	NA	MeJP	NA	NA
+PJ109451	VVLKEEEE 	C42H71N9O17	973.4968	NA	PeJP	NA	NA
+PJ109452	PLLLQEMM 	C43H75N9O12S2	973.4977	NA	PeJP	NA	NA
+PJ109453	VQKEERW 	C43H67N13O13	973.4982	NA	PeJP	NA	NA
+PJ109454	NNQMRRR 	C36H67N19O11S	973.4989	NA	PeJP	NA	NA
+PJ109455	DRRRWW 	C44H63N17O9	973.4995	NA	PeJP	NA	NA
+PJ109456	APDKKEMR 	C40H71N13O13S	973.5015	NA	PeJP	NA	NA
+PJ109457	GPKKEEMR 	C40H71N13O13S	973.5016	NA	PeJP	NA	NA
+PJ109458	PTKKEWW 	C48H67N11O11	973.5022	NA	PeJP	NA	NA
+PJ109459	PTCRRRW 	C41H67N17O9S	973.5029	NA	PeJP	NA	NA
+PJ109460	TQEERRR 	C37H67N17O14	973.5054	NA	PeJP	NA	NA
+PJ109461	NKKKMYY 	C45H71N11O11S	973.5055	NA	PeJP	NA	NA
+PJ109462	GPVKKEMW 	C45H71N11O11S	973.5056	NA	PeJP	NA	NA
+MJ098987	Phakellistatin 11 	C53H67N9O9	973.506174	NA	MeJP	NA	NA
+PJ109463	PPLLYWW 	C53H67N9O9	973.5062	NA	PeJP	NA	NA
+PJ109464	PQMMRRR 	C38H71N17O9S2	973.5063	NA	PeJP	NA	NA
+PJ109465	SVLLEEER 	C41H71N11O16	973.5081	NA	PeJP	NA	NA
+PJ109466	PVVLEMMR 	C42H75N11O11S2	973.5089	NA	PeJP	NA	NA
+PJ109467	GGGAPLLKMM 	C42H75N11O11S2	973.509	NA	PeJP	NA	NA
+PJ109468	AKEERRW 	C42H67N15O12	973.5094	NA	PeJP	NA	NA
+PJ109469	APPLLMFW 	C50H71N9O9S	973.5096	NA	PeJP	NA	NA
+PJ109470	CNNRRRR 	C35H67N21O10S	973.5101	NA	PeJP	NA	NA
+PJ109471	ATLLLEEW 	C46H71N9O14	973.5121	NA	PeJP	NA	NA
+PJ109472	GPTKEMRR 	C39H71N15O12S	973.5128	NA	PeJP	NA	NA
+PJ109473	APLLLMMW 	C47H75N9O9S2	973.513	NA	PeJP	NA	NA
+PJ109474	GLKERWW 	C47H67N13O10	973.5134	NA	PeJP	NA	NA
+PJ109475	VLLLQEEM 	C43H75N9O14S	973.5155	NA	PeJP	NA	NA
+PJ109476	SDERRRR 	C36H67N19O13	973.5166	NA	PeJP	NA	NA
+PJ109477	PKKEMRW 	C44H71N13O10S	973.5168	NA	PeJP	NA	NA
+PJ109478	GVLKWWW 	C52H67N11O8	973.5175	NA	PeJP	NA	NA
+PJ109479	GVKKEEER 	C40H71N13O15	973.5193	NA	PeJP	NA	NA
+PJ109480	SPPKKMMR 	C41H75N13O10S2	973.5202	NA	PeJP	NA	NA
+PJ109481	ATERRRW 	C41H67N17O11	973.5206	NA	PeJP	NA	NA
+PJ109482	GGGGTKRRW 	C41H67N17O11	973.5207	NA	PeJP	NA	NA
+PJ109483	PVKKMWW 	C49H71N11O8S	973.5208	NA	PeJP	NA	NA
+PJ109484	AALKKEEW 	C45H71N11O13	973.5233	NA	PeJP	NA	NA
+PJ109485	VQEMRRR 	C38H71N17O11S	973.524	NA	PeJP	NA	NA
+PJ109486	GTLRRWW 	C46H67N15O9	973.5247	NA	PeJP	NA	NA
+PJ109487	ALLLEEMR 	C42H75N11O13S	973.5267	NA	PeJP	NA	NA
+PJ109488	SPPVLLYW 	C50H71N9O11	973.5273	NA	PeJP	NA	NA
+PJ109489	GPLLLEFW 	C50H71N9O11	973.5274	NA	PeJP	NA	NA
+PJ109490	PTKMRRW 	C43H71N15O9S	973.528	NA	PeJP	NA	NA
+PJ109491	LKRWWW 	C51H67N13O7	973.5287	NA	PeJP	NA	NA
+PJ109492	KKEEERR 	C39H71N15O14	973.5305	NA	PeJP	NA	NA
+PJ109493	GGGAATKKER 	C39H71N15O14	973.5306	NA	PeJP	NA	NA
+PJ109494	GLLLLEMW 	C47H75N9O11S	973.5307	NA	PeJP	NA	NA
+PJ109495	GPVKMMRR 	C40H75N15O9S2	973.5314	NA	PeJP	NA	NA
+PJ109496	GSPKHHRR 	C40H67N19O10	973.5319	NA	PeJP	NA	NA
+PJ109497	TLLLKEEE 	C43H75N9O16	973.5332	NA	PeJP	NA	NA
+PJ109498	PLLLKEMM 	C44H79N9O11S2	973.5341	NA	PeJP	NA	NA
+PJ109499	SSPTLKRW 	C44H71N13O12	973.5345	NA	PeJP	NA	NA
+PJ109500	VKKEERW 	C44H71N13O12	973.5346	NA	PeJP	NA	NA
+PJ109501	AEMRRRR 	C37H71N19O10S	973.5352	NA	PeJP	NA	NA
+PJ109502	CLDRRRR 	C37H71N19O10S	973.5353	NA	PeJP	NA	NA
+PJ109503	GPFRRRW 	C45H67N17O8	973.5359	NA	PeJP	NA	NA
+PJ109504	SPVKKEMR 	C41H75N13O12S	973.5379	NA	PeJP	NA	NA
+PJ109505	GGGGGGLLKKM 	C41H75N13O12S	973.538	NA	PeJP	NA	NA
+PJ109506	VVKKEWW 	C49H71N11O10	973.5386	NA	PeJP	NA	NA
+PJ109507	GLMRRRW 	C42H71N17O8S	973.5393	NA	PeJP	NA	NA
+PJ109508	TKEERRR 	C38H71N17O13	973.5418	NA	PeJP	NA	NA
+PJ109509	APTLKKMW 	C46H75N11O10S	973.542	NA	PeJP	NA	NA
+PJ109510	PLLLFWW 	C54H71N9O8	973.5426	NA	PeJP	NA	NA
+PJ109511	VNHHRRR 	C39H67N21O9	973.5431	NA	PeJP	NA	NA
+PJ109512	ASPTTLKKE 	C42H75N11O15	973.5444	NA	PeJP	NA	NA
+PJ109513	TTLLLEER 	C42H75N11O15	973.5445	NA	PeJP	NA	NA
+PJ109514	PTLLLMMR 	C43H79N11O10S2	973.5453	NA	PeJP	NA	NA
+PJ109515	SLKERRW 	C43H71N15O11	973.5458	NA	PeJP	NA	NA
+PJ109516	LLLLMWW 	C51H75N9O8S	973.546	NA	PeJP	NA	NA
+PJ109517	STLLLLEW 	C47H75N9O13	973.5485	NA	PeJP	NA	NA
+PJ109518	AALKEMRR 	C40H75N15O11S	973.5492	NA	PeJP	NA	NA
+PJ109519	SVLKRWW 	C48H71N13O9	973.5498	NA	PeJP	NA	NA
+PJ109520	AATLLLLEM 	C44H79N9O13S	973.5518	NA	PeJP	NA	NA
+PJ109521	VLLLKEEM 	C44H79N9O13S	973.5519	NA	PeJP	NA	NA
+PJ109522	TTERRRR 	C37H71N19O12	973.553	NA	PeJP	NA	NA
+PJ109523	LLQKMRW 	C45H75N13O9S	973.5532	NA	PeJP	NA	NA
+PJ109524	GHHRRRR 	C38H67N23O8	973.5544	NA	PeJP	NA	NA
+PJ109525	ATLKKEER 	C41H75N13O14	973.5557	NA	PeJP	NA	NA
+PJ109526	APLKKMMR 	C42H79N13O9S2	973.5566	NA	PeJP	NA	NA
+PJ109527	STLRRRW 	C42H71N17O10	973.557	NA	PeJP	NA	NA
+PJ109528	GTLLKKEW 	C46H75N11O12	973.5597	NA	PeJP	NA	NA
+PJ109529	VKEMRRR 	C39H75N17O10S	973.5604	NA	PeJP	NA	NA
+PJ109530	VLHFFRR 	C47H71N15O8	973.561	NA	PeJP	NA	NA
+PJ109531	LLLHHRW 	C47H71N15O8	973.5611	NA	PeJP	NA	NA
+PJ109532	SLLLLEMR 	C43H79N11O12S	973.5631	NA	PeJP	NA	NA
+PJ109533	GPLLLLYW 	C51H75N9O10	973.5637	NA	PeJP	NA	NA
+PJ109534	VVKMRRW 	C44H75N15O8S	973.5644	NA	PeJP	NA	NA
+PJ109535	ATTLKERR 	C40H75N15O13	973.5669	NA	PeJP	NA	NA
+PJ109536	SVLLLLMW 	C48H79N9O10S	973.5671	NA	PeJP	NA	NA
+PJ109537	APRRRRY 	C41H71N19O9	973.5683	NA	PeJP	NA	NA
+PJ109538	SSSLLLLLE 	C44H79N9O15	973.5696	NA	PeJP	NA	NA
+PJ109539	LLLLLQMM 	C45H83N9O10S2	973.5705	NA	PeJP	NA	NA
+PJ109540	GTTLLKRW 	C45H75N13O11	973.5709	NA	PeJP	NA	NA
+PJ109541	GAKKKKEW 	C45H75N13O11	973.571	NA	PeJP	NA	NA
+PJ109542	SLMRRRR 	C38H75N19O9S	973.5716	NA	PeJP	NA	NA
+PJ109543	GLLKKEMR 	C42H79N13O11S	973.5743	NA	PeJP	NA	NA
+PJ109544	TLLKKWW 	C50H75N11O9	973.575	NA	PeJP	NA	NA
+PJ109545	SSSLLRRR 	C39H75N17O12	973.5782	NA	PeJP	NA	NA
+PJ109546	GVLLKKMW 	C47H79N11O9S	973.5783	NA	PeJP	NA	NA
+PJ109547	PPHRRRR 	C40H71N21O8	973.5795	NA	PeJP	NA	NA
+PJ109548	SLLKKKEE 	C43H79N11O14	973.5808	NA	PeJP	NA	NA
+PJ109549	VVLLLMMR 	C44H83N11O9S2	973.5817	NA	PeJP	NA	NA
+PJ109550	TQKKKRW 	C44H75N15O10	973.5822	NA	PeJP	NA	NA
+PJ109551	PVLLLKEY 	C48H79N9O12	973.5849	NA	PeJP	NA	NA
+PJ109552	ASLLKMRR 	C41H79N15O10S	973.5855	NA	PeJP	NA	NA
+PJ109553	GTLLKMRR 	C41H79N15O10S	973.5856	NA	PeJP	NA	NA
+PJ109554	AKKKKWW 	C49H75N13O8	973.5862	NA	PeJP	NA	NA
+PJ109555	GTTLLLLLM 	C45H83N9O12S	973.5882	NA	PeJP	NA	NA
+PJ109556	GSSKKRRR 	C38H75N19O11	973.5894	NA	PeJP	NA	NA
+PJ109557	LLKKMRW 	C46H79N13O8S	973.5896	NA	PeJP	NA	NA
+PJ109558	STLLKKER 	C42H79N13O13	973.5921	NA	PeJP	NA	NA
+PJ109559	PVKRRRY 	C43H75N17O9	973.5934	NA	PeJP	NA	NA
+PJ109560	SSLLLKKW 	C47H79N11O11	973.5961	NA	PeJP	NA	NA
+PJ109561	QKKKMRR 	C40H79N17O9S	973.5968	NA	PeJP	NA	NA
+PJ109562	VVLKKKEM 	C44H83N11O11S	973.5995	NA	PeJP	NA	NA
+PJ109563	GLLLLLFW 	C52H79N9O9	973.6001	NA	PeJP	NA	NA
+PJ109564	STTLLKRR 	C41H79N15O12	973.6033	NA	PeJP	NA	NA
+PJ109565	PLLLLKMF 	C49H83N9O9S	973.6035	NA	PeJP	NA	NA
+PJ109566	ALFRRRR 	C42H75N19O8	973.6046	NA	PeJP	NA	NA
+PJ109567	LKKHHRR 	C42H75N19O8	973.6047	NA	PeJP	NA	NA
+PJ109568	STTTLLLLL 	C45H83N9O14	973.606	NA	PeJP	NA	NA
+PJ109569	LLLLLKMM 	C46H87N9O9S2	973.6069	NA	PeJP	NA	NA
+PJ109570	KKKKKEW 	C46H79N13O10	973.6073	NA	PeJP	NA	NA
+PJ109571	CKKKRRR 	C39H79N19O8S	973.608	NA	PeJP	NA	NA
+PJ109572	SVLLKKMR 	C43H83N13O10S	973.6107	NA	PeJP	NA	NA
+MJ098988	Sphinxolide A; 8-Demethoxy, 19-Me ether 	C54H87NO14	973.612656	NA	MeJP	NA	NA
+PJ109573	GTTKKKRR 	C40H79N17O11	973.6145	NA	PeJP	NA	NA
+PJ109574	GTTTLLLKK 	C44H83N11O13	973.6172	NA	PeJP	NA	NA
+PJ109575	TKKKKRW 	C45H79N15O9	973.6186	NA	PeJP	NA	NA
+PJ109576	VLLLLLQY 	C49H83N9O11	973.6212	NA	PeJP	NA	NA
+PJ109577	GGILLLLLY 	C49H83N9O11	973.6213	NA	PeJP	NA	NA
+PJ109578	GVKKKKMR 	C42H83N15O9S	973.6219	NA	PeJP	NA	NA
+PJ109579	SVKKKKKE 	C43H83N13O12	973.6285	NA	PeJP	NA	NA
+PJ109580	VLKFRRR 	C44H79N17O8	973.6298	NA	PeJP	NA	NA
+PJ109581	ALLLLLRY 	C48H83N11O10	973.6325	NA	PeJP	NA	NA
+PJ109582	KKKKMRR 	C41H83N17O8S	973.6332	NA	PeJP	NA	NA
+PJ109583	TLLLKKKM 	C45H87N11O10S	973.6359	NA	PeJP	NA	NA
+PJ109584	SSLKKKKR 	C42H83N15O11	973.6397	NA	PeJP	NA	NA
+PJ109585	GLLLKKFR 	C47H83N13O9	973.6437	NA	PeJP	NA	NA
+PJ109586	ALKKKKKM 	C44H87N13O9S	973.6471	NA	PeJP	NA	NA
+PJ109587	VLLLLLKY 	C50H87N9O10	973.6576	NA	PeJP	NA	NA
+PJ109588	TTLKKKKK 	C44H87N13O11	973.6648	NA	PeJP	NA	NA
+PJ109589	VVLLKKKF 	C49H87N11O9	973.6689	NA	PeJP	NA	NA
+MJ098989	Iantheran A 	C32H18Br4O12S2	973.697318	NA	MeJP	NA	NA
+MJ098990	Primycin; Primycin A3, 18-O-Dearabinosyl 	C52H99N3O13	973.71779	NA	MeJP	NA	NA
+HMDB04840	Galabiosylceramide (d18:1/24:0)	C54H103NO13	973.74292	http://www.hmdb.ca/metabolites/HMDB04840	HMDB	NA	NA
+HMDB04875	Lactosylceramide (d18:1/24:0)	C54H103NO13	973.74292	http://www.hmdb.ca/metabolites/HMDB04875	HMDB	NA	NA
+HMDB04840	Galabiosylceramide (d18:1/24:0)	C54H103NO13	973.74292	HMDB04840	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04875	Lactosylceramide (d18:1/24:0)	C54H103NO13	973.74292	HMDB04875	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04840	Galabiosylceramide (d18:1/24:0)	C54H103NO13	973.74292	NA	HMDB2010	NA	NA
+HMDB11595	Lactosylceramide (d18:1/24:0)	C54H103NO13	973.74292	NA	HMDB2010	NA	NA
+MJ098991	Cytolipin H 	C54H103NO13	973.742942	NA	MeJP	NA	NA
+MJ098992	Plakoside B 	C59H107NO9	973.794584	NA	MeJP	NA	NA
+PJ109590	SCCCCCCNH 	C31H50N12O12S6	974.1996	NA	PeJP	NA	NA
+PJ109591	PCCCCCNDD 	C32H50N10O15S5	974.2061	NA	PeJP	NA	NA
+PJ109592	CCCCCDYY 	C37H50N8O13S5	974.2101	NA	PeJP	NA	NA
+PJ109593	GCCCNDDDM 	C32H50N10O17S4	974.2239	NA	PeJP	NA	NA
+PJ109594	GSPPCCCCCC 	C33H54N10O12S6	974.2247	NA	PeJP	NA	NA
+PJ109595	CCCCCMFY 	C38H54N8O10S6	974.2288	NA	PeJP	NA	NA
+PJ109596	SCCCCNNND 	C31H50N12O16S4	974.2351	NA	PeJP	NA	NA
+PJ109597	CCCCNDEW 	C36H50N10O14S4	974.2391	NA	PeJP	NA	NA
+PJ109598	SSCCCNDDE 	C32H50N10O19S3	974.2416	NA	PeJP	NA	NA
+PJ109599	SPCCCCNDM 	C33H54N10O14S5	974.2425	NA	PeJP	NA	NA
+PJ109600	CDDDDDDY 	C36H46N8O22S	974.2448	NA	PeJP	NA	NA
+PJ109601	SCCCCMYY 	C38H54N8O12S5	974.2465	NA	PeJP	NA	NA
+PJ109602	CDDDDMMM 	C34H54N8O17S4	974.249	NA	PeJP	NA	NA
+PJ109603	GCCCCNNQM 	C32H54N12O13S5	974.2537	NA	PeJP	NA	NA
+PJ109604	GGGGGGACCCCM 	C32H54N12O13S5	974.2538	NA	PeJP	NA	NA
+PJ109605	GCCCCDWW 	C40H50N10O11S4	974.2544	NA	PeJP	NA	NA
+PJ109606	GSSCCCDDW 	C36H50N10O16S3	974.2569	NA	PeJP	NA	NA
+PJ109607	GPTCCCCCW 	C37H54N10O11S5	974.2577	NA	PeJP	NA	NA
+PJ109608	ASPCCCCCW 	C37H54N10O11S5	974.2578	NA	PeJP	NA	NA
+PJ109609	GSSSSCCDDD 	C32H50N10O21S2	974.2594	NA	PeJP	NA	NA
+PJ109610	ATCCCCDQE 	C33H54N10O16S4	974.2602	NA	PeJP	NA	NA
+PJ109611	GSCCNDDMM 	C33H54N10O16S4	974.2603	NA	PeJP	NA	NA
+PJ109612	GPCCCCQMM 	C34H58N10O11S6	974.2611	NA	PeJP	NA	NA
+PJ109613	CCCCCFFF 	C42H54N8O9S5	974.2618	NA	PeJP	NA	NA
+PJ109614	CDDDDDMF 	C37H50N8O19S2	974.2634	NA	PeJP	NA	NA
+PJ109615	GCCCCCNNR 	C31H54N14O12S5	974.265	NA	PeJP	NA	NA
+PJ109616	CCDDDMHH 	C35H50N12O15S3	974.2681	NA	PeJP	NA	NA
+PJ109617	GSCCCCDER 	C32H54N12O15S4	974.2715	NA	PeJP	NA	NA
+PJ109618	GPCCCCCMR 	C33H58N12O10S6	974.2724	NA	PeJP	NA	NA
+PJ109619	DDDDDDEH 	C35H46N10O23	974.2738	NA	PeJP	NA	NA
+PJ109620	CCNNDDEY 	C36H50N10O18S2	974.2746	NA	PeJP	NA	NA
+PJ109621	GGGGCCDDEY 	C36H50N10O18S2	974.2747	NA	PeJP	NA	NA
+PJ109622	SCCCNEMW 	C37H54N10O13S4	974.2755	NA	PeJP	NA	NA
+PJ109623	SSSCCNDEM 	C33H54N10O18S3	974.278	NA	PeJP	NA	NA
+PJ109624	CCNNEMMM 	C34H58N10O13S5	974.2789	NA	PeJP	NA	NA
+PJ109625	GSCCCNDHH 	C34H50N14O14S3	974.2794	NA	PeJP	NA	NA
+PJ109626	ACCCCFYY 	C42H54N8O11S4	974.2795	NA	PeJP	NA	NA
+PJ109627	SDDDDDMY 	C37H50N8O21S	974.2812	NA	PeJP	NA	NA
+PJ109628	PCCDDEMY 	C38H54N8O16S3	974.282	NA	PeJP	NA	NA
+PJ109629	SDDDMMMM 	C35H58N8O16S4	974.2854	NA	PeJP	NA	NA
+PJ109630	GPCCNDDDH 	C35H50N12O17S2	974.2859	NA	PeJP	NA	NA
+PJ109631	PCCEMMMM 	C36H62N8O11S6	974.2863	NA	PeJP	NA	NA
+PJ109632	SCCCCDRW 	C36H54N12O12S4	974.2867	NA	PeJP	NA	NA
+PJ109633	SSSCCCDDR 	C32H54N12O17S3	974.2892	NA	PeJP	NA	NA
+PJ109634	GGGGGSSSTCCC 	C32H54N12O17S3	974.2893	NA	PeJP	NA	NA
+PJ109635	GCCNDDYW 	C40H50N10O15S2	974.2899	NA	PeJP	NA	NA
+PJ109636	CCCNDMMR 	C33H58N12O12S5	974.2901	NA	PeJP	NA	NA
+PJ109637	GSCCCMWW 	C41H54N10O10S4	974.2908	NA	PeJP	NA	NA
+PJ109638	GSSCNDDDY 	C36H50N10O20S	974.2924	NA	PeJP	NA	NA
+PJ109639	GSSSCCDMW 	C37H54N10O15S3	974.2933	NA	PeJP	NA	NA
+PJ109640	GCCNMMMW 	C38H58N10O10S5	974.2941	NA	PeJP	NA	NA
+PJ109641	GSSSSSCDDM 	C33H54N10O20S2	974.2958	NA	PeJP	NA	NA
+PJ109642	GSSCNDMMM 	C34H58N10O15S4	974.2966	NA	PeJP	NA	NA
+PJ109643	GTCCCYYY 	C42H54N8O13S3	974.2973	NA	PeJP	NA	NA
+PJ109644	GPCCCCKMM 	C35H62N10O10S6	974.2975	NA	PeJP	NA	NA
+PJ109645	CCCNQMHH 	C35H54N14O11S4	974.298	NA	PeJP	NA	NA
+PJ109646	GDDDEMMY 	C38H54N8O18S2	974.2998	NA	PeJP	NA	NA
+PJ109647	PCCDEMMF 	C39H58N8O13S4	974.3007	NA	PeJP	NA	NA
+PJ109648	CCCCCERR 	C32H58N14O11S5	974.3014	NA	PeJP	NA	NA
+PJ109649	NNDDDDMH 	C35H50N12O19S	974.3036	NA	PeJP	NA	NA
+PJ109650	GGGGDDDDMH 	C35H50N12O19S	974.3037	NA	PeJP	NA	NA
+PJ109651	GDEMMMMM 	C36H62N8O13S5	974.304	NA	PeJP	NA	NA
+PJ109652	CCNNNNMY 	C36H54N12O14S3	974.3045	NA	PeJP	NA	NA
+PJ109653	ACCCCMRW 	C37H58N12O9S5	974.3054	NA	PeJP	NA	NA
+PJ109654	SSSSSSCCNN 	C32H54N12O19S2	974.307	NA	PeJP	NA	NA
+PJ109655	GSSCCCEMR 	C33H58N12O14S4	974.3079	NA	PeJP	NA	NA
+PJ109656	SSTCCCWW 	C41H54N10O12S3	974.3085	NA	PeJP	NA	NA
+PJ109657	CCCCNHHR 	C34H54N16O10S4	974.3092	NA	PeJP	NA	NA
+PJ109658	SDDDEEEH 	C36H50N10O22	974.3102	NA	PeJP	NA	NA
+PJ109659	SSSSSCCEW 	C37H54N10O17S2	974.311	NA	PeJP	NA	NA
+PJ109660	SSCCQMMW 	C38H58N10O12S4	974.3119	NA	PeJP	NA	NA
+PJ109661	SSSSSSSCDE 	C33H54N10O22S	974.3135	NA	PeJP	NA	NA
+PJ109662	GDDDDEFY 	C41H50N8O20	974.3142	NA	PeJP	NA	NA
+PJ109663	SSSSCNEMM 	C34H58N10O17S3	974.3144	NA	PeJP	NA	NA
+PJ109664	GSCNNNDDH 	C34H50N14O18S	974.3149	NA	PeJP	NA	NA
+PJ109665	DDDMMYW 	C42H54N8O15S2	974.315	NA	PeJP	NA	NA
+PJ109666	PCCDDEFF 	C42H54N8O15S2	974.3151	NA	PeJP	NA	NA
+PJ109667	SCNQMMMM 	C35H62N10O12S5	974.3153	NA	PeJP	NA	NA
+PJ109668	GSSCCNMHH 	C35H54N14O13S3	974.3157	NA	PeJP	NA	NA
+PJ109669	GGGGGPCCCQH 	C35H54N14O13S3	974.3158	NA	PeJP	NA	NA
+PJ109670	SSDDEEMY 	C38H54N8O20S	974.3175	NA	PeJP	NA	NA
+PJ109671	SPCDEMMY 	C39H58N8O15S3	974.3184	NA	PeJP	NA	NA
+PJ109672	GCNDDEHW 	C39H50N12O16S	974.3189	NA	PeJP	NA	NA
+PJ109673	DMMMMMW 	C40H62N8O10S5	974.3193	NA	PeJP	NA	NA
+PJ109674	PCCCEHHF 	C40H54N12O11S3	974.3198	NA	PeJP	NA	NA
+PJ109675	GSSNDDDEH 	C35H50N12O21	974.3214	NA	PeJP	NA	NA
+PJ109676	SSEEMMMM 	C36H62N8O15S4	974.3218	NA	PeJP	NA	NA
+PJ109677	GSSCCNNQY 	C36H54N12O16S2	974.3222	NA	PeJP	NA	NA
+PJ109678	SCCNDDRY 	C36H54N12O16S2	974.3223	NA	PeJP	NA	NA
+PJ109679	PTCMMMMM 	C37H66N8O10S6	974.3227	NA	PeJP	NA	NA
+PJ109680	SSCCCMRW 	C37H58N12O11S4	974.3231	NA	PeJP	NA	NA
+PJ109681	SCCDHHHH 	C37H50N16O12S2	974.3236	NA	PeJP	NA	NA
+PJ109682	CCCQFWW 	C45H54N10O9S3	974.3238	NA	PeJP	NA	NA
+PJ109683	GNNDDDYY 	C40H50N10O19	974.3254	NA	PeJP	NA	NA
+PJ109684	SSSSCCDMR 	C33H58N12O16S3	974.3256	NA	PeJP	NA	NA
+PJ109685	GSCNDMYW 	C41H54N10O14S2	974.3263	NA	PeJP	NA	NA
+PJ109686	SCCNMMMR 	C34H62N12O11S5	974.3265	NA	PeJP	NA	NA
+PJ109687	GCCMMHFF 	C42H58N10O9S4	974.3272	NA	PeJP	NA	NA
+PJ109688	GSSSNDDMY 	C37H54N10O19S	974.3288	NA	PeJP	NA	NA
+PJ109689	DDDDFYW 	C45H50N8O17	974.3294	NA	PeJP	NA	NA
+PJ109690	GSSSSCMMW 	C38H58N10O14S3	974.3296	NA	PeJP	NA	NA
+PJ109691	GGGNDMMMY 	C38H58N10O14S3	974.3297	NA	PeJP	NA	NA
+PJ109692	PCDDDHHH 	C38H50N14O15S	974.3301	NA	PeJP	NA	NA
+MJ098993	Derpanicate 	C46H54N8O12S2	974.33026	NA	MeJP	NA	NA
+PJ109693	CCNFYYY 	C46H54N8O12S2	974.3303	NA	PeJP	NA	NA
+PJ109694	ACCCKMMW 	C39H62N10O9S5	974.3305	NA	PeJP	NA	NA
+PJ109695	GSSSSSSDMM 	C34H58N10O19S2	974.3321	NA	PeJP	NA	NA
+PJ109696	GPDDDMYY 	C42H54N8O17S	974.3328	NA	PeJP	NA	NA
+PJ109697	GSSSNMMMM 	C35H62N10O14S4	974.333	NA	PeJP	NA	NA
+PJ109698	SSSSCCQHH 	C35H54N14O15S2	974.3335	NA	PeJP	NA	NA
+PJ109699	DDMMMFW 	C43H58N8O12S3	974.3337	NA	PeJP	NA	NA
+PJ109700	CNDDHWW 	C43H50N12O13S	974.3341	NA	PeJP	NA	NA
+PJ109701	GGCDDHWW 	C43H50N12O13S	974.3342	NA	PeJP	NA	NA
+PJ109702	GPPCCCCHR 	C36H58N14O10S4	974.3344	NA	PeJP	NA	NA
+PJ109703	GSEEEMMY 	C39H58N8O17S2	974.3362	NA	PeJP	NA	NA
+PJ109704	SSNDDDHW 	C39H50N12O18	974.3366	NA	PeJP	NA	NA
+PJ109705	GPDMMMMY 	C40H62N8O12S4	974.337	NA	PeJP	NA	NA
+PJ109706	SPCCNEHW 	C40H54N12O13S2	974.3375	NA	PeJP	NA	NA
+PJ109707	TCCCCMRR 	C33H62N14O10S5	974.3377	NA	PeJP	NA	NA
+PJ109708	CMMMHHW 	C41H58N12O8S4	974.3384	NA	PeJP	NA	NA
+PJ109709	SSSSCNNNY 	C36H54N12O18S	974.34	NA	PeJP	NA	NA
+PJ109710	ATEMMMMM 	C37H66N8O12S5	974.3404	NA	PeJP	NA	NA
+PJ109711	GCCNEMRY 	C37H58N12O13S3	974.3409	NA	PeJP	NA	NA
+PJ109712	SCCQYWW 	C45H54N10O11S2	974.3415	NA	PeJP	NA	NA
+PJ109713	ACCMHHHH 	C38H54N16O9S3	974.3422	NA	PeJP	NA	NA
+PJ109714	SSSCNEYW 	C41H54N10O16S	974.344	NA	PeJP	NA	NA
+PJ109715	GGGGGDDMFY 	C41H54N10O16S	974.3441	NA	PeJP	NA	NA
+PJ109716	ASSSCCMMR 	C34H62N12O13S4	974.3442	NA	PeJP	NA	NA
+PJ109717	GSSTCCMMR 	C34H62N12O13S4	974.3443	NA	PeJP	NA	NA
+PJ109718	CCNNNDHR 	C34H54N16O14S2	974.3447	NA	PeJP	NA	NA
+PJ109719	GGGGGGCCDHR 	C34H54N16O14S2	974.3448	NA	PeJP	NA	NA
+PJ109720	CNQMMYW 	C42H58N10O11S3	974.3449	NA	PeJP	NA	NA
+PJ109721	SSSSSNDEY 	C37H54N10O21	974.3465	NA	PeJP	NA	NA
+PJ109722	GGGGPDEEEE 	C37H54N10O21	974.3466	NA	PeJP	NA	NA
+PJ109723	SSSSSTCMW 	C38H58N10O16S2	974.3474	NA	PeJP	NA	NA
+PJ109724	GDDEEHHH 	C38H50N14O17	974.3479	NA	PeJP	NA	NA
+PJ109725	SCNYYYY 	C46H54N8O14S	974.348	NA	PeJP	NA	NA
+PJ109726	PCDEYYW 	C46H54N8O14S	974.3481	NA	PeJP	NA	NA
+PJ109727	SSCCKMMW 	C39H62N10O11S4	974.3483	NA	PeJP	NA	NA
+PJ109728	GCNNNMHW 	C39H54N14O12S2	974.3487	NA	PeJP	NA	NA
+PJ109729	GGGCNNMHW 	C39H54N14O12S2	974.3488	NA	PeJP	NA	NA
+PJ109730	SSSSSSSSEM 	C34H58N10O21S	974.3499	NA	PeJP	NA	NA
+PJ109731	NEEEEYY 	C42H54N8O19	974.3505	NA	PeJP	NA	NA
+PJ109732	GGEEEEYY 	C42H54N8O19	974.3506	NA	PeJP	NA	NA
+PJ109733	SSSSSQMMM 	C35H62N10O16S3	974.3508	NA	PeJP	NA	NA
+PJ109734	SCNDDEHR 	C35H54N14O17S	974.3512	NA	PeJP	NA	NA
+PJ109735	GGSCDDEHR 	C35H54N14O17S	974.3513	NA	PeJP	NA	NA
+PJ109736	SEEMMYW 	C43H58N8O14S2	974.3514	NA	PeJP	NA	NA
+PJ109737	SCNKMMMM 	C36H66N10O11S5	974.3516	NA	PeJP	NA	NA
+PJ109738	GGSCKMMMM 	C36H66N10O11S5	974.3517	NA	PeJP	NA	NA
+PJ109739	GCCCDRRY 	C36H58N14O12S3	974.3521	NA	PeJP	NA	NA
+PJ109740	PPCCMMFF 	C44H62N8O9S4	974.3523	NA	PeJP	NA	NA
+PJ109741	GSPCCHWW 	C44H54N12O10S2	974.3528	NA	PeJP	NA	NA
+PJ109742	SSTEEEMY 	C39H58N8O19S	974.3539	NA	PeJP	NA	NA
+PJ109743	AAEEMMMY 	C40H62N8O14S3	974.3548	NA	PeJP	NA	NA
+PJ109744	GSNDEMHW 	C40H54N12O15S	974.3553	NA	PeJP	NA	NA
+PJ109745	GPMMMMMF 	C41H66N8O9S5	974.3557	NA	PeJP	NA	NA
+PJ109746	CCNMRYW 	C41H58N12O10S3	974.3561	NA	PeJP	NA	NA
+PJ109747	GGGPCMMHW 	C41H58N12O10S3	974.3562	NA	PeJP	NA	NA
+PJ109748	PNDDDDER 	C36H54N12O20	974.3578	NA	PeJP	NA	NA
+PJ109749	TTTEMMMM 	C37H66N8O14S4	974.3582	NA	PeJP	NA	NA
+PJ109750	SSCNDMRY 	C37H58N12O15S2	974.3586	NA	PeJP	NA	NA
+PJ109751	GGGGGSSCCKY 	C37H58N12O15S2	974.3587	NA	PeJP	NA	NA
+PJ109752	GLMMMMMM 	C38H70N8O9S6	974.359	NA	PeJP	NA	NA
+PJ109753	SNNDDHHH 	C37H50N16O16	974.3591	NA	PeJP	NA	NA
+PJ109754	GSSSCYWW 	C45H54N10O13S	974.3593	NA	PeJP	NA	NA
+PJ109755	PCCCCKRY 	C38H62N12O10S4	974.3595	NA	PeJP	NA	NA
+PJ109756	SSCMHHHH 	C38H54N16O11S2	974.36	NA	PeJP	NA	NA
+PJ109757	CCCKFWW 	C46H58N10O8S3	974.3602	NA	PeJP	NA	NA
+PJ109758	GSSSSSDYW 	C41H54N10O18	974.3618	NA	PeJP	NA	NA
+PJ109759	SSSSSCMMR 	C34H62N12O15S3	974.362	NA	PeJP	NA	NA
+PJ109760	GSSNMMYW 	C42H58N10O13S2	974.3627	NA	PeJP	NA	NA
+PJ109761	TCCCKMMR 	C35H66N12O10S5	974.3629	NA	PeJP	NA	NA
+PJ109762	DDEHHHW 	C42H50N14O14	974.3631	NA	PeJP	NA	NA
+PJ109763	ASSSSNEMY 	C38H58N10O18S	974.3651	NA	PeJP	NA	NA
+PJ109764	GSSSSQEMY 	C38H58N10O18S	974.3652	NA	PeJP	NA	NA
+PJ109765	GEEEYYW 	C46H54N8O16	974.3658	NA	PeJP	NA	NA
+PJ109766	DEMMMRY 	C39H62N10O13S3	974.366	NA	PeJP	NA	NA
+PJ109767	GGGPPPCEMM 	C39H62N10O13S3	974.3661	NA	PeJP	NA	NA
+PJ109768	GSCDDHRW 	C39H54N14O14S	974.3665	NA	PeJP	NA	NA
+PJ109769	PCEMFYW 	C47H58N8O11S2	974.3667	NA	PeJP	NA	NA
+PJ109770	APCCCHRW 	C40H58N14O9S3	974.3674	NA	PeJP	NA	NA
+PJ109771	GSSSSSTTMM 	C35H62N10O18S2	974.3685	NA	PeJP	NA	NA
+PJ109772	GSSSDDDHR 	C35H54N14O19	974.369	NA	PeJP	NA	NA
+PJ109773	GGGGGGGGGGGAEE 	C35H54N14O19	974.3691	NA	PeJP	NA	NA
+PJ109774	GSPEEMYY 	C43H58N8O16S	974.3692	NA	PeJP	NA	NA
+PJ109775	GSSTCKMMM 	C36H66N10O13S4	974.3694	NA	PeJP	NA	NA
+PJ109776	GNDDMMHR 	C36H58N14O14S2	974.3699	NA	PeJP	NA	NA
+PJ109777	VDMMMYW 	C44H62N8O11S3	974.3701	NA	PeJP	NA	NA
+PJ109778	SNDMHWW 	C44H54N12O12S	974.3705	NA	PeJP	NA	NA
+PJ109779	GCCCMFRR 	C37H62N14O9S4	974.3708	NA	PeJP	NA	NA
+PJ109780	PVDEEEEE 	C39H58N8O21	974.3717	NA	PeJP	NA	NA
+PJ109781	ATTEEMMY 	C40H62N8O16S2	974.3726	NA	PeJP	NA	NA
+PJ109782	GPDDDDRW 	C40H54N12O17	974.373	NA	PeJP	NA	NA
+PJ109783	GGGGGGSPDEW 	C40H54N12O17	974.3731	NA	PeJP	NA	NA
+PJ109784	APTMMMMY 	C41H66N8O11S4	974.3734	NA	PeJP	NA	NA
+PJ109785	GSTCCRYW 	C41H58N12O12S2	974.3739	NA	PeJP	NA	NA
+PJ109786	GCNFYWW 	C49H54N10O10S	974.3745	NA	PeJP	NA	NA
+PJ109787	GGGCFYWW 	C49H54N10O10S	974.3746	NA	PeJP	NA	NA
+PJ109788	GSSSSCERY 	C37H58N12O17S	974.3764	NA	PeJP	NA	NA
+PJ109789	STLMMMMM 	C38H70N8O11S5	974.3768	NA	PeJP	NA	NA
+PJ109790	SNNEYYW 	C45H54N10O15	974.377	NA	PeJP	NA	NA
+PJ109791	PNDEEWW 	C45H54N10O15	974.3771	NA	PeJP	NA	NA
+PJ109792	GSCQMMRY 	C38H62N12O12S3	974.3773	NA	PeJP	NA	NA
+PJ109793	GNNEMHHH 	C38H54N16O13S	974.3777	NA	PeJP	NA	NA
+PJ109794	GGGNEMHHH 	C38H54N16O13S	974.3778	NA	PeJP	NA	NA
+PJ109795	SCCKYWW 	C46H58N10O10S2	974.3779	NA	PeJP	NA	NA
+PJ109796	NNNNNDDR 	C34H54N16O18	974.3802	NA	PeJP	NA	NA
+PJ109797	GGGGNNNDDR 	C34H54N16O18	974.3803	NA	PeJP	NA	NA
+PJ109798	SSSSQMYW 	C42H58N10O15S	974.3804	NA	PeJP	NA	NA
+PJ109799	EEYYWW 	C50H54N8O13	974.3811	NA	PeJP	NA	NA
+PJ109800	CNKMMYW 	C43H62N10O10S3	974.3813	NA	PeJP	NA	NA
+PJ109801	GCNNHHFF 	C43H54N14O11S	974.3818	NA	PeJP	NA	NA
+PJ109802	SSSSSTQEY 	C38H58N10O20	974.3829	NA	PeJP	NA	NA
+PJ109803	SSNDKMMY 	C39H62N10O15S2	974.3838	NA	PeJP	NA	NA
+PJ109804	GSSSSNNHW 	C39H54N14O16	974.3843	NA	PeJP	NA	NA
+PJ109805	SPEMYYW 	C47H58N8O13S	974.3844	NA	PeJP	NA	NA
+PJ109806	GPDDMFFF 	C47H58N8O13S	974.3845	NA	PeJP	NA	NA
+PJ109807	PCCCKKMY 	C40H66N10O10S4	974.3847	NA	PeJP	NA	NA
+PJ109808	CNEMHRW 	C40H58N14O11S2	974.3851	NA	PeJP	NA	NA
+PJ109809	GGGGACCKHW 	C40H58N14O11S2	974.3852	NA	PeJP	NA	NA
+PJ109810	GTCHWWW 	C48H54N12O9S	974.3858	NA	PeJP	NA	NA
+PJ109811	SSSSSSTTTM 	C35H62N10O20S	974.3863	NA	PeJP	NA	NA
+PJ109812	DKEEEYY 	C43H58N8O18	974.3869	NA	PeJP	NA	NA
+PJ109813	PPPDEEEY 	C43H58N8O18	974.387	NA	PeJP	NA	NA
+PJ109814	SSSSSKMMM 	C36H66N10O15S3	974.3871	NA	PeJP	NA	NA
+PJ109815	SSNDEMHR 	C36H58N14O16S	974.3876	NA	PeJP	NA	NA
+PJ109816	GGGGPNDDMR 	C36H58N14O16S	974.3877	NA	PeJP	NA	NA
+PJ109817	AAPEMMYY 	C44H62N8O13S2	974.3878	NA	PeJP	NA	NA
+PJ109818	TCCKKMMM 	C37H70N10O10S5	974.388	NA	PeJP	NA	NA
+PJ109819	GSSSEHWW 	C44H54N12O14	974.3883	NA	PeJP	NA	NA
+PJ109820	GSCCMRRY 	C37H62N14O11S3	974.3885	NA	PeJP	NA	NA
+PJ109821	VMMMMFW 	C45H66N8O8S4	974.3887	NA	PeJP	NA	NA
+PJ109822	GCNDHHHR 	C37H54N18O12S	974.389	NA	PeJP	NA	NA
+PJ109823	ANMMHWW 	C45H58N12O9S2	974.3891	NA	PeJP	NA	NA
+PJ109824	GQMMHWW 	C45H58N12O9S2	974.3892	NA	PeJP	NA	NA
+PJ109825	TTTTEEMY 	C40H62N8O18S	974.3903	NA	PeJP	NA	NA
+PJ109826	GTLEMMMY 	C41H66N8O13S3	974.3912	NA	PeJP	NA	NA
+PJ109827	SSSSCRYW 	C41H58N12O14S	974.3916	NA	PeJP	NA	NA
+PJ109828	SPPCDDRW 	C41H58N12O14S	974.3917	NA	PeJP	NA	NA
+PJ109829	GPDEWWW 	C49H54N10O12	974.3923	NA	PeJP	NA	NA
+PJ109830	APCCKMHW 	C42H62N12O9S3	974.3925	NA	PeJP	NA	NA
+PJ109831	NNMHHHW 	C42H54N16O10S	974.393	NA	PeJP	NA	NA
+PJ109832	SSSSSSDRY 	C37H58N12O19	974.3941	NA	PeJP	NA	NA
+PJ109833	SPNDEEER 	C37H58N12O19	974.3942	NA	PeJP	NA	NA
+PJ109834	SSSNMMRY 	C38H62N12O14S2	974.395	NA	PeJP	NA	NA
+PJ109835	GGGGGGGPPTMM 	C38H62N12O14S2	974.3951	NA	PeJP	NA	NA
+PJ109836	SSNQEHHH 	C38H54N16O15	974.3955	NA	PeJP	NA	NA
+PJ109837	GSPPDMWW 	C46H58N10O12S	974.3957	NA	PeJP	NA	NA
+PJ109838	GCCKMMFR 	C39H66N12O9S4	974.3959	NA	PeJP	NA	NA
+PJ109839	CCDHRRW 	C39H58N16O10S2	974.3964	NA	PeJP	NA	NA
+PJ109840	GSSSSTTYW 	C42H58N10O17	974.3982	NA	PeJP	NA	NA
+PJ109841	SSCDDHRR 	C35H58N16O15S	974.3989	NA	PeJP	NA	NA
+PJ109842	GSTCKMYW 	C43H62N10O12S2	974.399	NA	PeJP	NA	NA
+PJ109843	GPPQEMMW 	C43H62N10O12S2	974.3991	NA	PeJP	NA	NA
+PJ109844	NNNNQWW 	C43H54N14O13	974.3995	NA	PeJP	NA	NA
+PJ109845	GGGGGGGGGAWW 	C43H54N14O13	974.3996	NA	PeJP	NA	NA
+PJ109846	PPCFYYW 	C51H58N8O10S	974.3997	NA	PeJP	NA	NA
+PJ109847	GCMHRWW 	C44H58N14O8S2	974.4004	NA	PeJP	NA	NA
+PJ109848	GSSSSKEMY 	C39H62N10O17S	974.4015	NA	PeJP	NA	NA
+PJ109849	STLEEEMH 	C39H62N10O17S	974.4016	NA	PeJP	NA	NA
+PJ109850	SVEEYYW 	C47H58N8O15	974.4022	NA	PeJP	NA	NA
+PJ109851	GSQKMMMY 	C40H66N10O12S3	974.4024	NA	PeJP	NA	NA
+PJ109852	GSSDMHRW 	C40H58N14O13S	974.4029	NA	PeJP	NA	NA
+PJ109853	PCLMYYW 	C48H62N8O10S2	974.4031	NA	PeJP	NA	NA
+PJ109854	SSSHWWW 	C48H54N12O11	974.4035	NA	PeJP	NA	NA
+PJ109855	GGGEHFWW 	C48H54N12O11	974.4036	NA	PeJP	NA	NA
+PJ109856	APCHHHHH 	C41H54N18O9S	974.4042	NA	PeJP	NA	NA
+PJ109857	SPDDDDRR 	C36H58N14O18	974.4054	NA	PeJP	NA	NA
+PJ109858	LQEEMYY 	C44H62N8O15S	974.4056	NA	PeJP	NA	NA
+PJ109859	SSTCCRRY 	C37H62N14O13S2	974.4063	NA	PeJP	NA	NA
+PJ109860	TLMMMYW 	C45H66N8O10S3	974.4064	NA	PeJP	NA	NA
+PJ109861	STQMHWW 	C45H58N12O11S	974.4069	NA	PeJP	NA	NA
+MJ098994	Dotriacolide; 3,4-Dihydro 	C40H78O18S4	974.407098	NA	MeJP	NA	NA
+MJ098995	Izumenolide; 2,3,38,39-Tetrahydro, 39-sulfooxy 	C40H78O18S4	974.407098	NA	MeJP	NA	NA
+PJ109862	PDWWWW 	C53H54N10O9	974.4076	NA	PeJP	NA	NA
+PJ109863	PTLEEEEE 	C40H62N8O20	974.4081	NA	PeJP	NA	NA
+PJ109864	STTLEMMY 	C41H66N8O15S2	974.4089	NA	PeJP	NA	NA
+PJ109865	PPLEEEMM 	C41H66N8O15S2	974.409	NA	PeJP	NA	NA
+PJ109866	GSPDEERW 	C41H58N12O16	974.4094	NA	PeJP	NA	NA
+PJ109867	GVLMMMMY 	C42H70N8O10S4	974.4098	NA	PeJP	NA	NA
+PJ109868	GPPCEMRW 	C42H62N12O11S2	974.4103	NA	PeJP	NA	NA
+PJ109869	GSSQHHHW 	C42H54N16O12	974.4108	NA	PeJP	NA	NA
+PJ109870	PPTCWWW 	C50H58N10O9S	974.4109	NA	PeJP	NA	NA
+PJ109871	GSSSSTMRY 	C38H62N12O16S	974.4128	NA	PeJP	NA	NA
+PJ109872	PTQEEWW 	C46H58N10O14	974.4134	NA	PeJP	NA	NA
+PJ109873	GGGGGTEFFF 	C46H58N10O14	974.4135	NA	PeJP	NA	NA
+PJ109874	GSCKMMRY 	C39H66N12O11S3	974.4137	NA	PeJP	NA	NA
+PJ109875	GCNNQHFR 	C39H58N16O12S	974.4141	NA	PeJP	NA	NA
+PJ109876	GGGGGGACHFR 	C39H58N16O12S	974.4142	NA	PeJP	NA	NA
+PJ109877	PPQMMWW 	C47H62N10O9S2	974.4143	NA	PeJP	NA	NA
+PJ109878	PDHHHFW 	C47H54N14O10	974.4148	NA	PeJP	NA	NA
+PJ109879	GNNDDERR 	C35H58N16O17	974.4166	NA	PeJP	NA	NA
+PJ109880	GGGGGDDERR 	C35H58N16O17	974.4167	NA	PeJP	NA	NA
+PJ109881	SSSSKMYW 	C43H62N10O14S	974.4168	NA	PeJP	NA	NA
+PJ109882	SPPYYYW 	C51H58N8O12	974.4174	NA	PeJP	NA	NA
+PJ109883	APEFYYW 	C51H58N8O12	974.4175	NA	PeJP	NA	NA
+PJ109884	PMMMFRY 	C44H66N10O9S3	974.4177	NA	PeJP	NA	NA
+PJ109885	STCHRWW 	C44H58N14O10S	974.4181	NA	PeJP	NA	NA
+PJ109886	GGPCNRWW 	C44H58N14O10S	974.4182	NA	PeJP	NA	NA
+PJ109887	NHFWWW 	C52H54N12O8	974.4188	NA	PeJP	NA	NA
+PJ109888	SSSSSTKEY 	C39H62N10O19	974.4193	NA	PeJP	NA	NA
+PJ109889	SSTQKMMY 	C40H66N10O14S2	974.4202	NA	PeJP	NA	NA
+PJ109890	SSSSEHRW 	C40H58N14O15	974.4206	NA	PeJP	NA	NA
+PJ109891	GGNQEERW 	C40H58N14O15	974.4207	NA	PeJP	NA	NA
+PJ109892	ALEMYYW 	C48H62N8O12S	974.4208	NA	PeJP	NA	NA
+PJ109893	LMMMMRY 	C41H70N10O9S4	974.421	NA	PeJP	NA	NA
+PJ109894	GCKKMMMF 	C41H70N10O9S4	974.4211	NA	PeJP	NA	NA
+PJ109895	SQMMHRW 	C41H62N14O10S2	974.4215	NA	PeJP	NA	NA
+PJ109896	AAEHHHHH 	C41H54N18O11	974.422	NA	PeJP	NA	NA
+PJ109897	AMHHFFW 	C49H58N12O8S	974.4222	NA	PeJP	NA	NA
+PJ109898	GTTLEEYY 	C44H62N8O17	974.4233	NA	PeJP	NA	NA
+PJ109899	GPDDEMRR 	C37H62N14O15S	974.424	NA	PeJP	NA	NA
+PJ109900	GGGGGGGGGSPKM 	C37H62N14O15S	974.4241	NA	PeJP	NA	NA
+PJ109901	GPTLMMYY 	C45H66N8O12S2	974.4242	NA	PeJP	NA	NA
+PJ109902	SPDERWW 	C45H58N12O13	974.4247	NA	PeJP	NA	NA
+PJ109903	AAQMMMHR 	C38H66N14O10S3	974.4249	NA	PeJP	NA	NA
+PJ109904	GSNMHHHR 	C38H58N18O11S	974.4254	NA	PeJP	NA	NA
+PJ109905	PPCMRWW 	C46H62N12O8S2	974.4255	NA	PeJP	NA	NA
+PJ109906	NHHHHFF 	C46H54N16O9	974.426	NA	PeJP	NA	NA
+PJ109907	PVLEEEEM 	C41H66N8O17S	974.4267	NA	PeJP	NA	NA
+PJ109908	SSLLMMMY 	C42H70N8O12S3	974.4276	NA	PeJP	NA	NA
+PJ109909	PQEEMRW 	C42H62N12O13S	974.428	NA	PeJP	NA	NA
+PJ109910	GAPEEMRW 	C42H62N12O13S	974.4281	NA	PeJP	NA	NA
+PJ109911	APTEWWW 	C50H58N10O11	974.4287	NA	PeJP	NA	NA
+PJ109912	CQKHHHW 	C43H58N16O9S	974.4294	NA	PeJP	NA	NA
+PJ109913	SSSSSTTRY 	C38H62N12O18	974.4305	NA	PeJP	NA	NA
+PJ109914	GVQEEEER 	C38H62N12O18	974.4306	NA	PeJP	NA	NA
+PJ109915	SSTCKMRY 	C39H66N12O13S2	974.4314	NA	PeJP	NA	NA
+PJ109916	NNDDRRW 	C39H58N16O14	974.4319	NA	PeJP	NA	NA
+PJ109917	ANKMYYW 	C47H62N10O11S	974.432	NA	PeJP	NA	NA
+PJ109918	PVQEMWW 	C47H62N10O11S	974.4321	NA	PeJP	NA	NA
+PJ109919	SCMHRRW 	C40H62N16O9S2	974.4328	NA	PeJP	NA	NA
+PJ109920	DHHHHHR 	C40H54N20O10	974.4332	NA	PeJP	NA	NA
+PJ109921	SSSLQQYY 	C43H62N10O16	974.4345	NA	PeJP	NA	NA
+PJ109922	GPTKEEEW 	C43H62N10O16	974.4346	NA	PeJP	NA	NA
+PJ109923	GNNQQQMR 	C36H62N16O14S	974.4352	NA	PeJP	NA	NA
+PJ109924	SSSDMHRR 	C36H62N16O14S	974.4353	NA	PeJP	NA	NA
+PJ109925	GPPKEMMW 	C44H66N10O11S2	974.4354	NA	PeJP	NA	NA
+PJ109926	GGAAPPPMMF 	C44H66N10O11S2	974.4355	NA	PeJP	NA	NA
+PJ109927	GNQERWW 	C44H58N14O12	974.4359	NA	PeJP	NA	NA
+PJ109928	PCLFFYW 	C52H62N8O9S	974.4361	NA	PeJP	NA	NA
+PJ109929	GSSTTTKMY 	C40H66N10O16S	974.4379	NA	PeJP	NA	NA
+PJ109930	AAAASPVEEM 	C40H66N10O16S	974.438	NA	PeJP	NA	NA
+PJ109931	TTLEYYW 	C48H62N8O14	974.4386	NA	PeJP	NA	NA
+PJ109932	GSKKMMMY 	C41H70N10O11S3	974.4388	NA	PeJP	NA	NA
+PJ109933	PDDMRRW 	C41H62N14O12S	974.4393	NA	PeJP	NA	NA
+PJ109934	VVMMFYW 	C49H66N8O9S2	974.4395	NA	PeJP	NA	NA
+PJ109935	AAQQWWW 	C49H58N12O10	974.4399	NA	PeJP	NA	NA
+PJ109936	QEEEERR 	C37H62N14O17	974.4418	NA	PeJP	NA	NA
+PJ109937	LKEEMYY 	C45H66N8O14S	974.4419	NA	PeJP	NA	NA
+PJ109938	GSLLEMYY 	C45H66N8O14S	974.442	NA	PeJP	NA	NA
+PJ109939	ATTQMMHR 	C38H66N14O12S2	974.4426	NA	PeJP	NA	NA
+PJ109940	SPPCEMRR 	C38H66N14O12S2	974.4427	NA	PeJP	NA	NA
+PJ109941	GVLMMMFF 	C46H70N8O9S3	974.4428	NA	PeJP	NA	NA
+PJ109942	SSSQHHHR 	C38H58N18O13	974.4431	NA	PeJP	NA	NA
+PJ109943	APEMRWW 	C46H62N12O10S	974.4433	NA	PeJP	NA	NA
+PJ109944	GPPFWWW 	C54H58N10O8	974.444	NA	PeJP	NA	NA
+PJ109945	VVLEEEEE 	C41H66N8O19	974.4445	NA	PeJP	NA	NA
+PJ109946	VQEEERW 	C42H62N12O15	974.4458	NA	PeJP	NA	NA
+PJ109947	GNNNNMRR 	C35H62N18O13S	974.4465	NA	PeJP	NA	NA
+PJ109948	GPPTMMRW 	C43H66N12O10S2	974.4467	NA	PeJP	NA	NA
+PJ109949	PNEHHRW 	C43H58N16O11	974.4471	NA	PeJP	NA	NA
+PJ109950	GGPEHHRW 	C43H58N16O11	974.4472	NA	PeJP	NA	NA
+PJ109951	GPLMWWW 	C51H62N10O8S	974.4473	NA	PeJP	NA	NA
+PJ109952	GPKEEEMR 	C39H66N12O15S	974.4492	NA	PeJP	NA	NA
+PJ109953	PTKEEWW 	C47H62N10O13	974.4498	NA	PeJP	NA	NA
+PJ109954	PPVNMMMR 	C40H70N12O10S3	974.45	NA	PeJP	NA	NA
+PJ109955	GGPPVMMMR 	C40H70N12O10S3	974.4501	NA	PeJP	NA	NA
+PJ109956	GSPCNRRW 	C40H62N16O11S	974.4505	NA	PeJP	NA	NA
+PJ109957	PPKMMWW 	C48H66N10O8S2	974.4507	NA	PeJP	NA	NA
+PJ109958	NQRWWW 	C48H58N14O9	974.4512	NA	PeJP	NA	NA
+PJ109959	DDEERRR 	C36H62N16O16	974.453	NA	PeJP	NA	NA
+PJ109960	GPVKEEMW 	C44H66N10O13S	974.4532	NA	PeJP	NA	NA
+PJ109961	APLYYYW 	C52H62N8O11	974.4538	NA	PeJP	NA	NA
+PJ109962	GSTMMHRR 	C37H66N16O11S2	974.4539	NA	PeJP	NA	NA
+PJ109963	LMMMFFR 	C45H70N10O8S3	974.4541	NA	PeJP	NA	NA
+PJ109964	AQMHFRW 	C45H62N14O9S	974.4545	NA	PeJP	NA	NA
+PJ109965	SSSTTTTKY 	C40H66N10O18	974.4557	NA	PeJP	NA	NA
+PJ109966	SSTKKMMY 	C41H70N10O13S2	974.4566	NA	PeJP	NA	NA
+PJ109967	AEEERRW 	C41H62N14O14	974.457	NA	PeJP	NA	NA
+PJ109968	GGGGGSLERW 	C41H62N14O14	974.4571	NA	PeJP	NA	NA
+PJ109969	SLLMYYW 	C49H66N8O11S	974.4572	NA	PeJP	NA	NA
+PJ109970	SKMMHRW 	C42H66N14O9S2	974.4579	NA	PeJP	NA	NA
+PJ109971	NQHHHFR 	C42H58N18O10	974.4584	NA	PeJP	NA	NA
+PJ109972	SSTLLEYY 	C45H66N8O16	974.4597	NA	PeJP	NA	NA
+PJ109973	GPTEEMRR 	C38H66N14O14S	974.4604	NA	PeJP	NA	NA
+PJ109974	AALLMMYY 	C46H70N8O11S2	974.4606	NA	PeJP	NA	NA
+PJ109975	PTTERWW 	C46H62N12O12	974.461	NA	PeJP	NA	NA
+PJ109976	GLEERWW 	C46H62N12O12	974.4611	NA	PeJP	NA	NA
+PJ109977	GPPMMMRR 	C39H70N14O9S3	974.4613	NA	PeJP	NA	NA
+PJ109978	GTCKHHHR 	C39H62N18O10S	974.4618	NA	PeJP	NA	NA
+PJ109979	GPHHRWW 	C47H58N16O8	974.4624	NA	PeJP	NA	NA
+PJ109980	SSNNNQRR 	C35H62N18O15	974.4642	NA	PeJP	NA	NA
+PJ109981	GSNDDRRR 	C35H62N18O15	974.4643	NA	PeJP	NA	NA
+PJ109982	PKEEMRW 	C43H66N12O12S	974.4644	NA	PeJP	NA	NA
+PJ109983	GGGGGGALLMW 	C43H66N12O12S	974.4645	NA	PeJP	NA	NA
+PJ109984	GVLEWWW 	C51H62N10O10	974.4651	NA	PeJP	NA	NA
+PJ109985	ACHFRRW 	C44H62N16O8S	974.4658	NA	PeJP	NA	NA
+PJ109986	GVKEEEER 	C39H66N12O17	974.4669	NA	PeJP	NA	NA
+PJ109987	GGGAAKKEEE 	C39H66N12O17	974.467	NA	PeJP	NA	NA
+PJ109988	SPPKEMMR 	C40H70N12O12S2	974.4678	NA	PeJP	NA	NA
+PJ109989	SNQERRW 	C40H62N16O13	974.4683	NA	PeJP	NA	NA
+PJ109990	GSPVLMWW 	C48H66N10O10S	974.4684	NA	PeJP	NA	NA
+PJ109991	PVKEMWW 	C48H66N10O10S	974.4685	NA	PeJP	NA	NA
+PJ109992	SSPLKEEW 	C44H66N10O15	974.4709	NA	PeJP	NA	NA
+PJ109993	AALKEEEW 	C44H66N10O15	974.471	NA	PeJP	NA	NA
+PJ109994	SSTTMHRR 	C37H66N16O13S	974.4716	NA	PeJP	NA	NA
+PJ109995	GGAAQEMRR 	C37H66N16O13S	974.4717	NA	PeJP	NA	NA
+PJ109996	SPPVKMMW 	C45H70N10O10S2	974.4718	NA	PeJP	NA	NA
+MJ098996	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranosyl-(1?4)-?-D-glucopyranoside] 	C47H74O21	974.472259	NA	MeJP	NA	NA
+PJ109997	GNKERWW 	C45H62N14O11	974.4723	NA	PeJP	NA	NA
+PJ109998	VVMFFFW 	C53H66N8O8S	974.4725	NA	PeJP	NA	NA
+PJ109999	PVDKKEEM 	C41H70N10O15S	974.4743	NA	PeJP	NA	NA
+PJ110000	PLKEYYY 	C49H66N8O13	974.475	NA	PeJP	NA	NA
+PJ110001	SLLLMMMH 	C42H74N10O10S3	974.4752	NA	PeJP	NA	NA
+PJ110002	VQQQMRW 	C42H66N14O11S	974.4756	NA	PeJP	NA	NA
+PJ110003	PTEMRRW 	C42H66N14O11S	974.4757	NA	PeJP	NA	NA
+PJ110004	LERWWW 	C50H62N12O9	974.4763	NA	PeJP	NA	NA
+PJ110005	SSSPVTNQR 	C38H66N14O16	974.4781	NA	PeJP	NA	NA
+PJ110006	KEEEERR 	C38H66N14O16	974.4782	NA	PeJP	NA	NA
+PJ110007	ATTLLMYY 	C46H70N8O13S	974.4783	NA	PeJP	NA	NA
+PJ110008	PPLLEEMF 	C46H70N8O13S	974.4784	NA	PeJP	NA	NA
+PJ110009	GPVEMMRR 	C39H70N14O11S2	974.479	NA	PeJP	NA	NA
+PJ110010	GGGAAPKMMR 	C39H70N14O11S2	974.4791	NA	PeJP	NA	NA
+PJ110011	GSPEHHRR 	C39H62N18O12	974.4795	NA	PeJP	NA	NA
+PJ110012	SPLMRWW 	C47H66N12O9S	974.4797	NA	PeJP	NA	NA
+PJ110013	VLWWWW 	C55H62N10O7	974.4803	NA	PeJP	NA	NA
+PJ110014	TLLLEEEE 	C42H70N8O18	974.4809	NA	PeJP	NA	NA
+PJ110015	PLLLEEMM 	C43H74N8O13S2	974.4817	NA	PeJP	NA	NA
+PJ110016	VKEEERW 	C43H66N12O14	974.4822	NA	PeJP	NA	NA
+PJ110017	NNEMRRR 	C36H66N18O12S	974.4829	NA	PeJP	NA	NA
+PJ110018	AAPLMMRW 	C44H70N12O9S2	974.4831	NA	PeJP	NA	NA
+PJ110019	GSQRRWW 	C44H62N16O10	974.4835	NA	PeJP	NA	NA
+PJ110020	APPTTTTMR 	C40H70N12O14S	974.4855	NA	PeJP	NA	NA
+PJ110021	SPVKEEMR 	C40H70N12O14S	974.4856	NA	PeJP	NA	NA
+PJ110022	VVKEEWW 	C48H66N10O12	974.4862	NA	PeJP	NA	NA
+PJ110023	PPCLKMMR 	C41H74N12O9S3	974.4864	NA	PeJP	NA	NA
+PJ110024	AQQMRRW 	C41H66N16O10S	974.4869	NA	PeJP	NA	NA
+PJ110025	NKRWWW 	C49H62N14O8	974.4875	NA	PeJP	NA	NA
+MJ098997	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 12-Benzoyl, 11-Ac, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H74O18	974.487515	NA	MeJP	NA	NA
+PJ110026	GGKRWWW 	C49H62N14O8	974.4876	NA	PeJP	NA	NA
+PJ110027	TEEERRR 	C37H66N16O15	974.4894	NA	PeJP	NA	NA
+PJ110028	APTLKEMW 	C45H70N10O12S	974.4896	NA	PeJP	NA	NA
+PJ110029	ALLFYYW 	C53H66N8O10	974.4902	NA	PeJP	NA	NA
+PJ110030	PEMMRRR 	C38H70N16O10S2	974.4903	NA	PeJP	NA	NA
+PJ110031	NQQHHRR 	C38H62N20O11	974.4907	NA	PeJP	NA	NA
+PJ110032	GGGAQHHRR 	C38H62N20O11	974.4908	NA	PeJP	NA	NA
+PJ110033	AKMHFRW 	C46H66N14O8S	974.4909	NA	PeJP	NA	NA
+PJ110034	ALKKEEEE 	C41H70N10O17	974.4921	NA	PeJP	NA	NA
+PJ110035	ASPVLLNMM 	C42H74N10O12S2	974.4929	NA	PeJP	NA	NA
+PJ110036	PVLQKEMM 	C42H74N10O12S2	974.493	NA	PeJP	NA	NA
+PJ110037	SLEERRW 	C42H66N14O13	974.4934	NA	PeJP	NA	NA
+PJ110038	GGGGGGGGPKKF 	C42H66N14O13	974.4935	NA	PeJP	NA	NA
+PJ110039	AALLMFFY 	C50H70N8O10S	974.4936	NA	PeJP	NA	NA
+PJ110040	CNDRRRR 	C35H66N20O11S	974.4941	NA	PeJP	NA	NA
+PJ110041	PVMMRRW 	C43H70N14O8S2	974.4943	NA	PeJP	NA	NA
+PJ110042	SPHHRRW 	C43H62N18O9	974.4948	NA	PeJP	NA	NA
+PJ110043	TTTTLLYY 	C46H70N8O15	974.4961	NA	PeJP	NA	NA
+PJ110044	AALEEMRR 	C39H70N14O13S	974.4968	NA	PeJP	NA	NA
+PJ110045	SVLERWW 	C47H66N12O11	974.4974	NA	PeJP	NA	NA
+PJ110046	GAAKKEWW 	C47H66N12O11	974.4975	NA	PeJP	NA	NA
+PJ110047	GNMRRRW 	C40H66N18O9S	974.4981	NA	PeJP	NA	NA
+PJ110048	VLLLEEEM 	C43H74N8O15S	974.4995	NA	PeJP	NA	NA
+PJ110049	GSSQERRR 	C36H66N18O14	974.5006	NA	PeJP	NA	NA
+PJ110050	GGGGGGSSKRR 	C36H66N18O14	974.5007	NA	PeJP	NA	NA
+PJ110051	LLQEMRW 	C44H70N12O11S	974.5008	NA	PeJP	NA	NA
+PJ110052	ATLLWWW 	C52H66N10O9	974.5015	NA	PeJP	NA	NA
+PJ110053	ATLKEEER 	C40H70N12O16	974.5033	NA	PeJP	NA	NA
+PJ110054	APLKEMMR 	C41H74N12O11S2	974.5042	NA	PeJP	NA	NA
+PJ110055	SNKERRW 	C41H66N16O12	974.5046	NA	PeJP	NA	NA
+PJ110056	GGSKERRW 	C41H66N16O12	974.5047	NA	PeJP	NA	NA
+PJ110057	VLLQMWW 	C49H70N10O9S	974.5048	NA	PeJP	NA	NA
+PJ110058	GTLLKEEW 	C45H70N10O14	974.5073	NA	PeJP	NA	NA
+PJ110059	GGGGPLLLEY 	C45H70N10O14	974.5074	NA	PeJP	NA	NA
+PJ110060	VEEMRRR 	C38H70N16O12S	974.508	NA	PeJP	NA	NA
+PJ110061	GGGGGGAKKMR 	C38H70N16O12S	974.5081	NA	PeJP	NA	NA
+PJ110062	GPLLKMMW 	C46H74N10O9S2	974.5082	NA	PeJP	NA	NA
+MJ098998	12-Oleanene-3,16,22,28-tetrol, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-L-glucopyranoside 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ098999	12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099000	12-Oleanene-3,21,22,24,29-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099001	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099002	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099003	2,3,24-Trihydroxy-12-oleanen-28-oic acid, 28-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl] ester 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099004	2,3,6,23-Tetrahydroxy-12-oleanen-28-oic acid, 28-O-[?-L-Rhamnopyranosyl-(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099005	3,11,12,14-Tetrahydroxypregn-5-en-20-one, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H78O20	974.508644	NA	MeJP	NA	NA
+MJ099006	Furost-5-ene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-6-O-acetyl-?-D-galactopyranoside], 26-O-?-D-glucopyranoside 	C48H78O20	974.508644	NA	MeJP	NA	NA
+PJ110063	GDKKRWW 	C46H66N14O10	974.5087	NA	PeJP	NA	NA
+PJ110064	PTLKKEEM 	C42H74N10O14S	974.5107	NA	PeJP	NA	NA
+PJ110065	LLLQYYY 	C50H70N8O12	974.5113	NA	PeJP	NA	NA
+PJ110066	GALLLYYY 	C50H70N8O12	974.5114	NA	PeJP	NA	NA
+PJ110067	PPLKKMMM 	C43H78N10O9S3	974.5116	NA	PeJP	NA	NA
+PJ110068	VVEMRRW 	C43H70N14O10S	974.512	NA	PeJP	NA	NA
+PJ110069	CLLERRW 	C43H70N14O10S	974.5121	NA	PeJP	NA	NA
+PJ110070	AAKKWWW 	C51H66N12O8	974.5127	NA	PeJP	NA	NA
+PJ110071	SSVLEERR 	C39H70N14O15	974.5145	NA	PeJP	NA	NA
+PJ110072	ATTLEERR 	C39H70N14O15	974.5146	NA	PeJP	NA	NA
+PJ110073	PPLLLEMY 	C47H74N8O12S	974.5147	NA	PeJP	NA	NA
+PJ110074	APTLMMRR 	C40H74N14O10S2	974.5154	NA	PeJP	NA	NA
+PJ110075	SSQRRRW 	C40H66N18O11	974.5159	NA	PeJP	NA	NA
+PJ110076	ALLMRWW 	C48H70N12O8S	974.5161	NA	PeJP	NA	NA
+PJ110077	GTTLLERW 	C44H70N12O13	974.5186	NA	PeJP	NA	NA
+PJ110078	NDKMRRR 	C37H70N18O11S	974.5193	NA	PeJP	NA	NA
+PJ110079	GSKRRWW 	C45H66N16O9	974.5199	NA	PeJP	NA	NA
+PJ110080	VVVDKEMR 	C41H74N12O13S	974.5219	NA	PeJP	NA	NA
+PJ110081	GLLKEEMR 	C41H74N12O13S	974.522	NA	PeJP	NA	NA
+PJ110082	TLLKEWW 	C49H70N10O11	974.5226	NA	PeJP	NA	NA
+PJ110083	AQKMRRW 	C42H70N16O9S	974.5233	NA	PeJP	NA	NA
+PJ110084	GSDKKERR 	C38H70N16O14	974.5258	NA	PeJP	NA	NA
+PJ110085	GVLLKEMW 	C46H74N10O11S	974.526	NA	PeJP	NA	NA
+PJ110086	AALLFFFF 	C54H70N8O9	974.5266	NA	PeJP	NA	NA
+PJ110087	GPCKKMRR 	C39H74N16O9S2	974.5267	NA	PeJP	NA	NA
+PJ110088	VDHHRRR 	C39H66N20O10	974.5271	NA	PeJP	NA	NA
+PJ110089	SLLKKEEE 	C42H74N10O16	974.5285	NA	PeJP	NA	NA
+PJ110090	PVLKKEMM 	C43H78N10O11S2	974.5293	NA	PeJP	NA	NA
+PJ110091	GGGALLLLMM 	C43H78N10O11S2	974.5294	NA	PeJP	NA	NA
+PJ110092	TQKKERW 	C43H70N14O12	974.5298	NA	PeJP	NA	NA
+PJ110093	SNMRRRR 	C36H70N20O10S	974.5305	NA	PeJP	NA	NA
+PJ110094	ALHHRRW 	C44H66N18O8	974.5312	NA	PeJP	NA	NA
+PJ110095	PVLLLEEY 	C47H74N8O14	974.5325	NA	PeJP	NA	NA
+PJ110096	GTLLEMRR 	C40H74N14O12S	974.5332	NA	PeJP	NA	NA
+PJ110097	TTLLRWW 	C48H70N12O10	974.5338	NA	PeJP	NA	NA
+PJ110098	ACKRRRW 	C41H70N18O8S	974.5345	NA	PeJP	NA	NA
+PJ110099	GSSKERRR 	C37H70N18O13	974.537	NA	PeJP	NA	NA
+PJ110100	LLKEMRW 	C45H74N12O10S	974.5372	NA	PeJP	NA	NA
+PJ110101	PVLKFWW 	C53H70N10O8	974.5379	NA	PeJP	NA	NA
+PJ110102	STLLKEER 	C41H74N12O15	974.5397	NA	PeJP	NA	NA
+PJ110103	SPLLKMMR 	C42H78N12O10S2	974.5406	NA	PeJP	NA	NA
+PJ110104	SDKKRRW 	C42H70N16O11	974.541	NA	PeJP	NA	NA
+PJ110105	GGAAPKRRY 	C42H70N16O11	974.5411	NA	PeJP	NA	NA
+PJ110106	VLLKMWW 	C50H74N10O8S	974.5412	NA	PeJP	NA	NA
+PJ110107	SSLLLKEW 	C46H74N10O13	974.5437	NA	PeJP	NA	NA
+PJ110108	QKKEMRR 	C39H74N16O11S	974.5444	NA	PeJP	NA	NA
+MJ099007	12-Oleanene-3,11,16,23,28-pentol, 11-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C49H82O19	974.54503	NA	MeJP	NA	NA
+MJ099008	Pregn-5-ene-3,8,12,14,17,20-hexol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H82O19	974.54503	NA	MeJP	NA	NA
+PJ110109	ATKKRWW 	C47H70N14O9	974.5451	NA	PeJP	NA	NA
+PJ110110	VVLKKEEM 	C43H78N10O13S	974.5471	NA	PeJP	NA	NA
+PJ110111	LLLKYYY 	C51H74N8O11	974.5477	NA	PeJP	NA	NA
+PJ110112	PPLLLEFF 	C51H74N8O11	974.5478	NA	PeJP	NA	NA
+PJ110113	GSSTRRRR 	C36H70N20O12	974.5483	NA	PeJP	NA	NA
+PJ110114	TLLMRRW 	C44H74N14O9S	974.5484	NA	PeJP	NA	NA
+PJ110115	STTLLERR 	C40H74N14O14	974.5509	NA	PeJP	NA	NA
+PJ110116	GGGGSKKKKE 	C40H74N14O14	974.551	NA	PeJP	NA	NA
+PJ110117	PLLLLEMF 	C48H78N8O11S	974.5511	NA	PeJP	NA	NA
+PJ110118	GVLLMMRR 	C41H78N14O9S2	974.5518	NA	PeJP	NA	NA
+PJ110119	SSKRRRW 	C41H70N18O10	974.5523	NA	PeJP	NA	NA
+PJ110120	LLLLLEMM 	C45H82N8O11S2	974.5545	NA	PeJP	NA	NA
+PJ110121	SPPQKKKY 	C45H74N12O12	974.5549	NA	PeJP	NA	NA
+PJ110122	SSTLLLRW 	C45H74N12O12	974.555	NA	PeJP	NA	NA
+PJ110123	TQKMRRR 	C38H74N18O10S	974.5556	NA	PeJP	NA	NA
+PJ110124	GATKMRRR 	C38H74N18O10S	974.5557	NA	PeJP	NA	NA
+PJ110125	VLKHHRW 	C46H70N16O8	974.5563	NA	PeJP	NA	NA
+PJ110126	SVLLKEMR 	C42H78N12O12S	974.5583	NA	PeJP	NA	NA
+PJ110127	GPVLLKYW 	C50H74N10O10	974.559	NA	PeJP	NA	NA
+PJ110128	AKKMRRW 	C43H74N16O8S	974.5597	NA	PeJP	NA	NA
+PJ110129	GTTKKERR 	C39H74N16O13	974.5622	NA	PeJP	NA	NA
+PJ110130	ATLLLKMW 	C47H78N10O10S	974.5624	NA	PeJP	NA	NA
+PJ110131	LLMMRRR 	C40H78N16O8S2	974.563	NA	PeJP	NA	NA
+PJ110132	GQFRRRR 	C40H70N20O9	974.5635	NA	PeJP	NA	NA
+PJ110133	GTTTLLLKE 	C43H78N10O15	974.5648	NA	PeJP	NA	NA
+PJ110134	ASTTIILKE 	C43H78N10O15	974.5649	NA	PeJP	NA	NA
+PJ110135	VLLLQKMM 	C44H82N10O10S2	974.5657	NA	PeJP	NA	NA
+PJ110136	TKKKERW 	C44H74N14O11	974.5662	NA	PeJP	NA	NA
+PJ110137	TCKRRRR 	C37H74N20O9S	974.5669	NA	PeJP	NA	NA
+PJ110138	VLLLLEEF 	C48H78N8O13	974.5689	NA	PeJP	NA	NA
+PJ110139	SSLLLMRR 	C41H78N14O11S	974.5696	NA	PeJP	NA	NA
+PJ110140	SLKKKWW 	C49H74N12O9	974.5702	NA	PeJP	NA	NA
+PJ110141	GTTTKRRR 	C38H74N18O12	974.5734	NA	PeJP	NA	NA
+PJ110142	AALKKKMW 	C46H78N12O9S	974.5736	NA	PeJP	NA	NA
+PJ110143	SSSSLLLLR 	C42H78N12O14	974.5761	NA	PeJP	NA	NA
+PJ110144	ALLLKMMR 	C43H82N12O9S2	974.577	NA	PeJP	NA	NA
+PJ110145	TTKKRRW 	C43H74N16O10	974.5774	NA	PeJP	NA	NA
+PJ110146	TTTLLLKW 	C47H78N10O12	974.5801	NA	PeJP	NA	NA
+PJ110147	KKKEMRR 	C40H78N16O10S	974.5808	NA	PeJP	NA	NA
+PJ110148	VVLFRRW 	C48H74N14O8	974.5814	NA	PeJP	NA	NA
+PJ110149	TLLLKKEM 	C44H82N10O12S	974.5835	NA	PeJP	NA	NA
+PJ110150	PPLLLLFY 	C52H78N8O10	974.5841	NA	PeJP	NA	NA
+PJ110151	VKKKMRW 	C45H78N14O8S	974.5848	NA	PeJP	NA	NA
+PJ110152	SSLKKKER 	C41H78N14O13	974.5873	NA	PeJP	NA	NA
+PJ110153	PLLLLLMY 	C49H82N8O10S	974.5875	NA	PeJP	NA	NA
+PJ110154	VNKFRRR 	C42H74N18O9	974.5887	NA	PeJP	NA	NA
+PJ110155	ATTLKKKW 	C46H78N12O11	974.5913	NA	PeJP	NA	NA
+PJ110156	AAAVVLLRY 	C46H78N12O11	974.5914	NA	PeJP	NA	NA
+PJ110157	TKKMRRR 	C39H78N18O9S	974.592	NA	PeJP	NA	NA
+C11988	Megalomicin C2	C49H86N2O17	974.5926	NA	KEGG	NA	NA
+MJ099009	Megalomicin A; 3A-Ac, 4A-propanoyl 	C49H86N2O17	974.592649	NA	MeJP	NA	NA
+PJ110158	TTLLLKMR 	C43H82N12O11S	974.5947	NA	PeJP	NA	NA
+PJ110159	GVLLLKFW 	C51H78N10O9	974.5954	NA	PeJP	NA	NA
+PJ110160	SSTLKKRR 	C40H78N16O12	974.5986	NA	PeJP	NA	NA
+PJ110161	PVLLKKMF 	C48H82N10O9S	974.5987	NA	PeJP	NA	NA
+PJ110162	GKFRRRR 	C41H74N20O8	974.5999	NA	PeJP	NA	NA
+PJ110163	SSTTLLLLK 	C44H82N10O14	974.6012	NA	PeJP	NA	NA
+PJ110164	VLLLKKMM 	C45H86N10O9S2	974.6021	NA	PeJP	NA	NA
+PJ110165	AALLLRRY 	C45H78N14O10	974.6026	NA	PeJP	NA	NA
+PJ110166	VLLLLLEY 	C49H82N8O12	974.6053	NA	PeJP	NA	NA
+PJ110167	SVVKKKMR 	C42H82N14O10S	974.6059	NA	PeJP	NA	NA
+PJ110168	ATLKKKMR 	C42H82N14O10S	974.606	NA	PeJP	NA	NA
+PJ110169	LLLKFRW 	C50H78N12O8	974.6066	NA	PeJP	NA	NA
+PJ110170	TTLKKKKE 	C43H82N12O13	974.6125	NA	PeJP	NA	NA
+PJ110171	VLLRRRY 	C44H78N16O9	974.6138	NA	PeJP	NA	NA
+PJ110172	PTLLLKKY 	C48H82N10O11	974.6165	NA	PeJP	NA	NA
+PJ110173	GCKKKKKR 	C41H82N16O9S	974.6172	NA	PeJP	NA	NA
+PJ110174	PLLLLLFF 	C53H82N8O9	974.6205	NA	PeJP	NA	NA
+PJ110175	TTTLKKKR 	C42H82N14O12	974.6237	NA	PeJP	NA	NA
+PJ110176	LLLLLLMF 	C50H86N8O9S	974.6239	NA	PeJP	NA	NA
+PJ110177	GLLLLKRY 	C47H82N12O10	974.6277	NA	PeJP	NA	NA
+PJ110178	SLLKKKKM 	C44H86N12O10S	974.6311	NA	PeJP	NA	NA
+PJ110179	GVLKKKFR 	C46H82N14O9	974.639	NA	PeJP	NA	NA
+PJ110180	GKKKKKKM 	C43H86N14O9S	974.6423	NA	PeJP	NA	NA
+PJ110181	LKKKFRR 	C45H82N16O8	974.6502	NA	PeJP	NA	NA
+PJ110182	VVLLLKKY 	C49H86N10O10	974.6529	NA	PeJP	NA	NA
+PJ110183	STKKKKKK 	C43H86N14O11	974.6601	NA	PeJP	NA	NA
+PJ110184	ALLKKKKF 	C48H86N12O9	974.6641	NA	PeJP	NA	NA
+MJ099010	Blaberosides; Blaberoside IIb 	C53H98O15	974.690572	NA	MeJP	NA	NA
+HMDB10532	TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C65H98O6	974.736328	NA	HMDB2010	NA	NA
+HMDB10549	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C65H98O6	974.736328	NA	HMDB2010	NA	NA
+HMDB10557	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C65H98O6	974.736328	NA	HMDB2010	NA	NA
+HMDB05414	TG(20:0/20:0/20:0)	C63H122O6	974.92413	http://www.hmdb.ca/metabolites/HMDB05414	HMDB	NA	NA
+HMDB05414	TG(20:0/20:0/20:0)	C63H122O6	974.92413	HMDB05414	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05414	TG(20:0/20:0/20:0)	C63H122O6	974.924133	NA	HMDB2010	NA	NA
+PJ110185	SCCCCCCDH 	C31H49N11O13S6	975.1836	NA	PeJP	NA	NA
+PJ110186	PCCCCCDDD 	C32H49N9O16S5	975.1901	NA	PeJP	NA	NA
+PJ110187	ACCCCCCMH 	C32H53N11O10S7	975.2022	NA	PeJP	NA	NA
+PJ110188	GCCCDDDDM 	C32H49N9O18S4	975.2079	NA	PeJP	NA	NA
+PJ110189	SCCCCNNDD 	C31H49N11O17S4	975.2191	NA	PeJP	NA	NA
+PJ110190	SSCCCCCMH 	C32H53N11O12S6	975.22	NA	PeJP	NA	NA
+PJ110191	CCCCDDEW 	C36H49N9O15S4	975.2231	NA	PeJP	NA	NA
+PJ110192	SSCCCDDDE 	C32H49N9O20S3	975.2256	NA	PeJP	NA	NA
+PJ110193	SPCCCCDDM 	C33H53N9O15S5	975.2265	NA	PeJP	NA	NA
+PJ110194	GCCCCNNEM 	C32H53N11O14S5	975.2377	NA	PeJP	NA	NA
+PJ110195	GGGCCCCNEM 	C32H53N11O14S5	975.2378	NA	PeJP	NA	NA
+FL7AACGL0087	Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-coumaroyl) glucoside] 5-O-malonylglucoside	C44H47O25	975.24064	-	knapsack	NA	NA
+PJ110196	GSCCDDDMM 	C33H53N9O17S4	975.2443	NA	PeJP	NA	NA
+PJ110197	GPCCCCEMM 	C34H57N9O12S6	975.2451	NA	PeJP	NA	NA
+PJ110198	GCCCCCNDR 	C31H53N13O13S5	975.249	NA	PeJP	NA	NA
+PJ110199	CCCCNNMW 	C36H53N11O11S5	975.253	NA	PeJP	NA	NA
+PJ110200	SSCCCNNDM 	C32H53N11O16S4	975.2555	NA	PeJP	NA	NA
+PJ110201	PCCCCCCNK 	C33H57N11O11S6	975.2564	NA	PeJP	NA	NA
+PJ110202	CCNDDDEY 	C36H49N9O19S2	975.2587	NA	PeJP	NA	NA
+PJ110203	SCCCDEMW 	C37H53N9O14S4	975.2595	NA	PeJP	NA	NA
+PJ110204	PCCCCMMW 	C38H57N9O9S6	975.2604	NA	PeJP	NA	NA
+PJ110205	SSSCCDDEM 	C33H53N9O19S3	975.262	NA	PeJP	NA	NA
+PJ110206	CCNDEMMM 	C34H57N9O14S5	975.2629	NA	PeJP	NA	NA
+PJ110207	GSCCCDDHH 	C34H49N13O15S3	975.2634	NA	PeJP	NA	NA
+PJ110208	APCCCCCHH 	C35H53N13O10S5	975.2642	NA	PeJP	NA	NA
+PJ110209	GPCCDDDDH 	C35H49N11O18S2	975.2699	NA	PeJP	NA	NA
+PJ110210	GSSCCCCQW 	C36H53N11O13S4	975.2708	NA	PeJP	NA	NA
+PJ110211	GSSSSCCCNE 	C32H53N11O18S3	975.2733	NA	PeJP	NA	NA
+PJ110212	GCCDDDYW 	C40H49N9O16S2	975.2739	NA	PeJP	NA	NA
+PJ110213	CCCDDMMR 	C33H57N11O13S5	975.2741	NA	PeJP	NA	NA
+PJ110214	PCCCCDFW 	C41H53N9O11S4	975.2748	NA	PeJP	NA	NA
+PJ110215	GSSCDDDDY 	C36H49N9O21S	975.2764	NA	PeJP	NA	NA
+PJ110216	GSPCCCDEY 	C37H53N9O16S3	975.2773	NA	PeJP	NA	NA
+PJ110217	GCCDMMMW 	C38H57N9O11S5	975.2782	NA	PeJP	NA	NA
+PJ110218	GSSCDDMMM 	C34H57N9O16S4	975.2806	NA	PeJP	NA	NA
+PJ110219	GSSCCEEMM 	C34H57N9O16S4	975.2807	NA	PeJP	NA	NA
+PJ110220	GPTCCCMMM 	C35H61N9O11S6	975.2815	NA	PeJP	NA	NA
+PJ110221	CCCNEMHH 	C35H53N13O12S4	975.282	NA	PeJP	NA	NA
+PJ110222	GSCCCCNMR 	C32H57N13O12S5	975.2854	NA	PeJP	NA	NA
+PJ110223	CCCCNHFF 	C40H53N11O10S4	975.286	NA	PeJP	NA	NA
+PJ110224	NDDDDDMH 	C35H49N11O20S	975.2877	NA	PeJP	NA	NA
+PJ110225	SSSSCCCNW 	C36H53N11O15S3	975.2885	NA	PeJP	NA	NA
+PJ110226	CCCCCQKW 	C37H57N11O10S5	975.2894	NA	PeJP	NA	NA
+PJ110227	SSSSSSCCND 	C32H53N11O20S2	975.291	NA	PeJP	NA	NA
+PJ110228	SSSCCNNMM 	C33H57N11O15S4	975.2919	NA	PeJP	NA	NA
+PJ110229	SPCCCDYW 	C41H53N9O13S3	975.2925	NA	PeJP	NA	NA
+PJ110230	CCCCDHHR 	C34H53N15O11S4	975.2932	NA	PeJP	NA	NA
+PJ110231	SCNDDEMY 	C37H53N9O18S2	975.295	NA	PeJP	NA	NA
+PJ110232	PPPCCDDDD 	C37H53N9O18S2	975.2951	NA	PeJP	NA	NA
+PJ110233	SSCCEMMW 	C38H57N9O13S4	975.2959	NA	PeJP	NA	NA
+PJ110234	GCCCMHHW 	C39H53N13O9S4	975.2973	NA	PeJP	NA	NA
+C05273	trans-Tetradec-2-enoyl-CoA	C35H60N7O17P3S	975.2979	NA	KEGG	NA	NA
+C06736	(E)-11-Tetradecenoyl-CoA	C35H60N7O17P3S	975.2979	NA	KEGG	NA	NA
+C06737	(Z)-11-Tetradecenoyl-CoA	C35H60N7O17P3S	975.2979	NA	KEGG	NA	NA
+HMDB03946	(2E)-Tetradecenoyl-CoA	C35H60N7O17P3S	975.29791	http://www.hmdb.ca/metabolites/HMDB03946	HMDB	NA	NA
+HMDB03946	(2E)-Tetradecenoyl-CoA	C35H60N7O17P3S	975.29791	HMDB03946	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03946	(2E)-Tetradecenoyl-CoA	C35H60N7O17P3S	975.297913	NA	HMDB2010	NA	NA
+MetaCyc04357	(Z)-11-tetradecenoyl-CoA []	C35H60N7O17P3S1	975.297924	NA	metacyc	NA	NA
+PJ110235	SSSSCDEMM 	C34H57N9O18S3	975.2984	NA	PeJP	NA	NA
+PJ110236	GSCNNDDDH 	C34H49N13O19S	975.2989	NA	PeJP	NA	NA
+PJ110237	SCNEMMMM 	C35H61N9O13S5	975.2993	NA	PeJP	NA	NA
+PJ110238	ASSCCCEHH 	C35H53N13O14S3	975.2997	NA	PeJP	NA	NA
+PJ110239	GSSCCDMHH 	C35H53N13O14S3	975.2998	NA	PeJP	NA	NA
+PJ110240	CCMMYYY 	C43H57N7O11S4	975.2999	NA	PeJP	NA	NA
+PJ110241	GCDDDEHW 	C39H49N11O17S	975.3029	NA	PeJP	NA	NA
+PJ110242	SSSCCCCQR 	C32H57N13O14S4	975.3031	NA	PeJP	NA	NA
+PJ110243	GCCCNQYW 	C40H53N11O12S3	975.3038	NA	PeJP	NA	NA
+PJ110244	GSSDDDDEH 	C35H49N11O22	975.3054	NA	PeJP	NA	NA
+PJ110245	SCCDDDRY 	C36H53N11O17S2	975.3063	NA	PeJP	NA	NA
+PJ110246	GSSCCCCKW 	C37H57N11O12S4	975.3071	NA	PeJP	NA	NA
+PJ110247	GGGGCCNMMF 	C37H57N11O12S4	975.3072	NA	PeJP	NA	NA
+PJ110248	CCCEFWW 	C45H53N9O10S3	975.3078	NA	PeJP	NA	NA
+PJ110249	GNDDDDYY 	C40H49N9O20	975.3094	NA	PeJP	NA	NA
+PJ110250	GSSSSSCCQM 	C33H57N11O17S3	975.3096	NA	PeJP	NA	NA
+PJ110251	GSCDDMYW 	C41H53N9O15S2	975.3103	NA	PeJP	NA	NA
+PJ110252	SCCDMMMR 	C34H61N11O12S5	975.3105	NA	PeJP	NA	NA
+PJ110253	APCCCMYW 	C42H57N9O10S4	975.3112	NA	PeJP	NA	NA
+PJ110254	GSSSDDDMY 	C37H53N9O20S	975.3128	NA	PeJP	NA	NA
+PJ110255	GNDDMMMY 	C38H57N9O15S3	975.3137	NA	PeJP	NA	NA
+PJ110256	CCDFYYY 	C46H53N7O13S2	975.3143	NA	PeJP	NA	NA
+PJ110257	GSCMMMMW 	C39H61N9O10S5	975.3145	NA	PeJP	NA	NA
+PJ110258	STCCCHHW 	C39H53N13O11S3	975.315	NA	PeJP	NA	NA
+PJ110259	GSSSDMMMM 	C35H61N9O15S4	975.317	NA	PeJP	NA	NA
+PJ110260	SSSSCCEHH 	C35H53N13O16S2	975.3175	NA	PeJP	NA	NA
+PJ110261	GNMMMMMM 	C36H65N9O10S6	975.3179	NA	PeJP	NA	NA
+PJ110262	CDDDHWW 	C43H49N11O14S	975.3182	NA	PeJP	NA	NA
+PJ110263	CCCCNQFR 	C36H57N13O11S4	975.3184	NA	PeJP	NA	NA
+PJ110264	SSDDDDHW 	C39H49N11O19	975.3207	NA	PeJP	NA	NA
+PJ110265	GSSSSSCCCR 	C32H57N13O16S3	975.3209	NA	PeJP	NA	NA
+PJ110266	SSCCNNYW 	C40H53N11O14S2	975.3215	NA	PeJP	NA	NA
+PJ110267	GGGGGGCCDFF 	C40H53N11O14S2	975.3216	NA	PeJP	NA	NA
+PJ110268	ASCCCCCKR 	C33H61N13O11S5	975.3217	NA	PeJP	NA	NA
+PJ110269	GTCCCCCKR 	C33H61N13O11S5	975.3218	NA	PeJP	NA	NA
+PJ110270	PPCCCMHW 	C41H57N11O9S4	975.3224	NA	PeJP	NA	NA
+PJ110271	SSSSCNNDY 	C36H53N11O19S	975.324	NA	PeJP	NA	NA
+PJ110272	GGGGSPPCDDD 	C36H53N11O19S	975.3241	NA	PeJP	NA	NA
+PJ110273	GCCDEMRY 	C37H57N11O14S3	975.3249	NA	PeJP	NA	NA
+PJ110274	SCCEYWW 	C45H53N9O12S2	975.3255	NA	PeJP	NA	NA
+PJ110275	CCCCCKKW 	C38H61N11O9S5	975.3258	NA	PeJP	NA	NA
+PJ110276	SSSSSSSCNM 	C33H57N11O19S2	975.3274	NA	PeJP	NA	NA
+PJ110277	SSSCDEYW 	C41H53N9O17S	975.328	NA	PeJP	NA	NA
+PJ110278	PPCDDDEW 	C41H53N9O17S	975.3281	NA	PeJP	NA	NA
+PJ110279	SSSCCCQKM 	C34H61N11O14S4	975.3283	NA	PeJP	NA	NA
+PJ110280	CCNNDDHR 	C34H53N15O15S2	975.3287	NA	PeJP	NA	NA
+PJ110281	GGCCNDDHR 	C34H53N15O15S2	975.3288	NA	PeJP	NA	NA
+PJ110282	CNEMMYW 	C42H57N9O12S3	975.3289	NA	PeJP	NA	NA
+PJ110283	ACCMMMMR 	C35H65N11O9S6	975.3291	NA	PeJP	NA	NA
+PJ110284	SCCCMHHR 	C35H57N15O10S4	975.3296	NA	PeJP	NA	NA
+PJ110285	SSSSSDDEY 	C37H53N9O22	975.3305	NA	PeJP	NA	NA
+PJ110286	PNDDEEEE 	C37H53N9O22	975.3306	NA	PeJP	NA	NA
+PJ110287	SSNDEMMY 	C38H57N9O17S2	975.3314	NA	PeJP	NA	NA
+PJ110288	SCDYYYY 	C46H53N7O15S	975.3321	NA	PeJP	NA	NA
+PJ110289	SSTCMMMW 	C39H61N9O12S4	975.3323	NA	PeJP	NA	NA
+PJ110290	GCNNDMHW 	C39H53N13O13S2	975.3328	NA	PeJP	NA	NA
+PJ110291	CCMFFYY 	C47H57N7O10S3	975.3329	NA	PeJP	NA	NA
+PJ110292	DEEEEYY 	C42H53N7O20	975.3346	NA	PeJP	NA	NA
+PJ110293	SSSSSEMMM 	C35H61N9O17S3	975.3348	NA	PeJP	NA	NA
+PJ110294	SCDDDEHR 	C35H53N13O18S	975.3353	NA	PeJP	NA	NA
+PJ110295	SSQMMMMM 	C36H65N9O12S5	975.3357	NA	PeJP	NA	NA
+PJ110296	SCCCNQRY 	C36H57N13O13S3	975.3361	NA	PeJP	NA	NA
+PJ110297	GGGGGPTCCMH 	C36H57N13O13S3	975.3362	NA	PeJP	NA	NA
+PJ110298	GSDDEMHW 	C40H53N11O16S	975.3393	NA	PeJP	NA	NA
+PJ110299	SSSCCCCKR 	C33H61N13O13S4	975.3395	NA	PeJP	NA	NA
+PJ110300	CCDMRYW 	C41H57N11O11S3	975.3401	NA	PeJP	NA	NA
+PJ110301	GCCCNKYW 	C41H57N11O11S3	975.3402	NA	PeJP	NA	NA
+PJ110302	PDDDDDER 	C36H53N11O21	975.3418	NA	PeJP	NA	NA
+PJ110303	GSSSCNQMY 	C37H57N11O16S2	975.3426	NA	PeJP	NA	NA
+PJ110304	SSCDDMRY 	C37H57N11O16S2	975.3427	NA	PeJP	NA	NA
+PJ110305	SNDDDHHH 	C37H49N15O17	975.3431	NA	PeJP	NA	NA
+PJ110306	CNDEFYW 	C45H53N9O14S	975.3433	NA	PeJP	NA	NA
+PJ110307	PTCCCMRY 	C38H61N11O11S4	975.3435	NA	PeJP	NA	NA
+PJ110308	PCCNEHHH 	C38H53N15O12S2	975.344	NA	PeJP	NA	NA
+PJ110309	GCMMYWW 	C46H57N9O9S3	975.3442	NA	PeJP	NA	NA
+PJ110310	GSSSSSSSSTC 	C33H57N11O21S	975.3451	NA	PeJP	NA	NA
+PJ110311	GPDDEEEW 	C41H53N9O19	975.3458	NA	PeJP	NA	NA
+PJ110312	GSSSSSCCKM 	C34H61N11O16S3	975.346	NA	PeJP	NA	NA
+PJ110313	SSSCNNNNH 	C34H53N15O17S	975.3465	NA	PeJP	NA	NA
+PJ110314	GSSDMMYW 	C42H57N9O14S2	975.3467	NA	PeJP	NA	NA
+PJ110315	SSCMMMMR 	C35H65N11O11S5	975.3469	NA	PeJP	NA	NA
+PJ110316	GSPCCCNHR 	C35H57N15O12S3	975.3474	NA	PeJP	NA	NA
+PJ110317	CQMMMFW 	C43H61N9O9S4	975.3475	NA	PeJP	NA	NA
+PJ110318	GACMMMFW 	C43H61N9O9S4	975.3476	NA	PeJP	NA	NA
+PJ110319	CCNQHWW 	C43H53N13O10S2	975.348	NA	PeJP	NA	NA
+PJ110320	GSSSSEEMY 	C38H57N9O19S	975.3492	NA	PeJP	NA	NA
+PJ110321	GSQEMMMY 	C39H61N9O14S3	975.35	NA	PeJP	NA	NA
+PJ110322	GGGTEMMMY 	C39H61N9O14S3	975.3501	NA	PeJP	NA	NA
+PJ110323	SSCNNEHW 	C39H53N13O15S	975.3505	NA	PeJP	NA	NA
+PJ110324	GGGGGGGGPCDW 	C39H53N13O15S	975.3506	NA	PeJP	NA	NA
+PJ110325	ACMYYYY 	C47H57N7O12S2	975.3507	NA	PeJP	NA	NA
+PJ110326	GCNMMHHF 	C40H57N13O10S3	975.3514	NA	PeJP	NA	NA
+PJ110327	SSSSNNDEH 	C35H53N13O20	975.353	NA	PeJP	NA	NA
+PJ110328	GGGGGGGGNEEE 	C35H53N13O20	975.3531	NA	PeJP	NA	NA
+PJ110329	EEEEMFY 	C43H57N7O17S	975.3532	NA	PeJP	NA	NA
+PJ110330	GSSTTMMMM 	C36H65N9O14S4	975.3534	NA	PeJP	NA	NA
+PJ110331	GSSSCCNRY 	C36H57N13O15S2	975.3539	NA	PeJP	NA	NA
+PJ110332	ACKMMMMM 	C37H69N9O9S6	975.3543	NA	PeJP	NA	NA
+PJ110333	SDDMHWW 	C44H53N11O13S	975.3545	NA	PeJP	NA	NA
+PJ110334	GGGGGGCYYW 	C44H53N11O13S	975.3546	NA	PeJP	NA	NA
+PJ110335	CCCCNKFR 	C37H61N13O10S4	975.3548	NA	PeJP	NA	NA
+HMDB02148	5-Methyltetrahydropteroylpentaglutamate	C40H53N11O18	975.35699	http://www.hmdb.ca/metabolites/HMDB02148	HMDB	NA	NA
+HMDB02148	5-Methyltetrahydropteroylpentaglutamate	C40H53N11O18	975.35699	HMDB02148	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02148	5-Methyltetrahydropteroylpentaglutamate	C40H53N11O18	975.356995	NA	HMDB2010	NA	NA
+PJ110336	SSSDEEHW 	C40H53N11O18	975.357	NA	PeJP	NA	NA
+PJ110337	GGSPNDDEW 	C40H53N11O18	975.3571	NA	PeJP	NA	NA
+PJ110338	NEEMMHW 	C41H57N11O13S2	975.3579	NA	PeJP	NA	NA
+PJ110339	GCDFYWW 	C49H53N9O11S	975.3586	NA	PeJP	NA	NA
+PJ110340	CCMMFRW 	C42H61N11O8S4	975.3588	NA	PeJP	NA	NA
+PJ110341	GPCCHHHW 	C42H53N15O9S2	975.3593	NA	PeJP	NA	NA
+PJ110342	SSSSSNNMY 	C37H57N11O18S	975.3604	NA	PeJP	NA	NA
+PJ110343	PDDEEWW 	C45H53N9O16	975.3611	NA	PeJP	NA	NA
+PJ110344	GSCEMMRY 	C38H61N11O13S3	975.3613	NA	PeJP	NA	NA
+PJ110345	CNNNNNHF 	C38H53N15O14S	975.3617	NA	PeJP	NA	NA
+PJ110346	GGCNNNNHF 	C38H53N15O14S	975.3618	NA	PeJP	NA	NA
+PJ110347	STCMYWW 	C46H57N9O11S2	975.3619	NA	PeJP	NA	NA
+PJ110348	ACCCHHFR 	C39H57N15O9S3	975.3626	NA	PeJP	NA	NA
+PJ110349	SSSSSSSSSSS 	C33H57N11O23	975.3629	NA	PeJP	NA	NA
+PJ110350	SSSSSSTCCK 	C34H61N11O18S2	975.3638	NA	PeJP	NA	NA
+PJ110351	GSNNNNNNE 	C34H53N15O19	975.3642	NA	PeJP	NA	NA
+PJ110352	NNNNDDDR 	C34H53N15O19	975.3643	NA	PeJP	NA	NA
+PJ110353	SSSSEMYW 	C42H57N9O16S	975.3644	NA	PeJP	NA	NA
+PJ110354	GPPPCDDEF 	C42H57N9O16S	975.3645	NA	PeJP	NA	NA
+PJ110355	STTCCCCKK 	C35H65N11O13S4	975.3646	NA	PeJP	NA	NA
+PJ110356	SSSCCCKKM 	C35H65N11O13S4	975.3647	NA	PeJP	NA	NA
+PJ110357	SCNNDMHR 	C35H57N15O14S2	975.3651	NA	PeJP	NA	NA
+PJ110358	SQMMMYW 	C43H61N9O11S3	975.3653	NA	PeJP	NA	NA
+PJ110359	GSSCNHWW 	C43H53N13O12S	975.3658	NA	PeJP	NA	NA
+PJ110360	CCFFFFY 	C51H57N7O9S2	975.366	NA	PeJP	NA	NA
+PJ110361	SSSSSTEEY 	C38H57N9O21	975.3669	NA	PeJP	NA	NA
+PJ110362	GAPTDEEEE 	C38H57N9O21	975.367	NA	PeJP	NA	NA
+PJ110363	SSTQEMMY 	C39H61N9O16S2	975.3678	NA	PeJP	NA	NA
+PJ110364	GSSSSNDHW 	C39H53N13O17	975.3683	NA	PeJP	NA	NA
+PJ110365	SSMYYYY 	C47H57N7O14S	975.3684	NA	PeJP	NA	NA
+PJ110366	AAQMMMMY 	C40H65N9O11S4	975.3687	NA	PeJP	NA	NA
+PJ110367	CDEMHRW 	C40H57N13O12S2	975.3691	NA	PeJP	NA	NA
+PJ110368	GGGSNMMHW 	C40H57N13O12S2	975.3692	NA	PeJP	NA	NA
+PJ110369	SSSTTTMMM 	C36H65N9O16S3	975.3712	NA	PeJP	NA	NA
+PJ110370	GSSSNQEMH 	C36H57N13O17S	975.3716	NA	PeJP	NA	NA
+PJ110371	SSDDEMHR 	C36H57N13O17S	975.3717	NA	PeJP	NA	NA
+PJ110372	SSKMMMMM 	C37H69N9O11S5	975.372	NA	PeJP	NA	NA
+PJ110373	GSPNDDWW 	C44H53N11O15	975.3723	NA	PeJP	NA	NA
+PJ110374	SCCCNKRY 	C37H61N13O12S3	975.3725	NA	PeJP	NA	NA
+PJ110375	GCDDHHHR 	C37H53N17O13S	975.373	NA	PeJP	NA	NA
+PJ110376	GEMMHWW 	C45H57N11O10S2	975.3732	NA	PeJP	NA	NA
+PJ110377	GSTEEMHW 	C41H57N11O15S	975.3757	NA	PeJP	NA	NA
+PJ110378	GSDYYWW 	C49H53N9O13	975.3763	NA	PeJP	NA	NA
+PJ110379	SCMMRYW 	C42H61N11O10S3	975.3765	NA	PeJP	NA	NA
+PJ110380	GGPPCMMHF 	C42H61N11O10S3	975.3766	NA	PeJP	NA	NA
+PJ110381	NDMHHHW 	C42H53N15O11S	975.377	NA	PeJP	NA	NA
+PJ110382	GCMFFWW 	C50H57N9O8S2	975.3772	NA	PeJP	NA	NA
+MJ099011	Micropeptin 478A 	C40H62ClN9O15S	975.37746	NA	MeJP	NA	NA
+PJ110383	GSSSSSSSQY 	C37H57N11O20	975.3781	NA	PeJP	NA	NA
+PJ110384	ASSSSSSSNY 	C37H57N11O20	975.3782	NA	PeJP	NA	NA
+PJ110385	SSSDMMRY 	C38H61N11O15S2	975.379	NA	PeJP	NA	NA
+PJ110386	PPCDEEMR 	C38H61N11O15S2	975.3791	NA	PeJP	NA	NA
+PJ110387	SNNNNNNW 	C38H53N15O16	975.3795	NA	PeJP	NA	NA
+PJ110388	GGGGGGGGGGGGSW 	C38H53N15O16	975.3796	NA	PeJP	NA	NA
+PJ110389	GQEMYYW 	C46H57N9O13S	975.3797	NA	PeJP	NA	NA
+PJ110390	NMMMMRY 	C39H65N11O10S4	975.3799	NA	PeJP	NA	NA
+PJ110391	GSCCQHRW 	C39H57N15O11S2	975.3804	NA	PeJP	NA	NA
+PJ110392	GPTEEEEW 	C42H57N9O18	975.3822	NA	PeJP	NA	NA
+PJ110393	GSSSCNEHR 	C35H57N15O16S	975.3829	NA	PeJP	NA	NA
+PJ110394	GSTTMMYW 	C43H61N9O13S2	975.3831	NA	PeJP	NA	NA
+PJ110395	NNNNEWW 	C43H53N13O14	975.3835	NA	PeJP	NA	NA
+PJ110396	GGGGGGNEWW 	C43H53N13O14	975.3836	NA	PeJP	NA	NA
+PJ110397	ACFFYYY 	C51H57N7O11S	975.3837	NA	PeJP	NA	NA
+PJ110398	GCNQMMHR 	C36H61N15O11S3	975.3838	NA	PeJP	NA	NA
+PJ110399	CKMMMFW 	C44H65N9O8S4	975.3839	NA	PeJP	NA	NA
+PJ110400	CCNKHWW 	C44H57N13O9S2	975.3844	NA	PeJP	NA	NA
+PJ110401	ASSSTTEMY 	C39H61N9O18S	975.3855	NA	PeJP	NA	NA
+PJ110402	GSSTTTEMY 	C39H61N9O18S	975.3856	NA	PeJP	NA	NA
+PJ110403	PEEEFYY 	C47H57N7O16	975.3862	NA	PeJP	NA	NA
+PJ110404	GSKEMMMY 	C40H65N9O13S3	975.3864	NA	PeJP	NA	NA
+PJ110405	GPCNDERW 	C40H57N13O14S	975.3869	NA	PeJP	NA	NA
+PJ110406	GDEHFWW 	C48H53N11O12	975.3876	NA	PeJP	NA	NA
+PJ110407	ACCKMHHF 	C41H61N13O9S3	975.3878	NA	PeJP	NA	NA
+PJ110408	MMHWWW 	C49H57N11O7S2	975.3884	NA	PeJP	NA	NA
+PJ110409	GNNEEEER 	C36H57N13O19	975.3894	NA	PeJP	NA	NA
+PJ110410	LEEEMYY 	C44H61N7O16S	975.3896	NA	PeJP	NA	NA
+PJ110411	GSEEMMHR 	C37H61N13O14S2	975.3903	NA	PeJP	NA	NA
+PJ110412	GSSSNNHHH 	C37H53N17O15	975.3907	NA	PeJP	NA	NA
+PJ110413	GGGSSSNHHH 	C37H53N17O15	975.3908	NA	PeJP	NA	NA
+PJ110414	STEMHWW 	C45H57N11O12S	975.3909	NA	PeJP	NA	NA
+PJ110415	GGGGGGACFFF 	C45H57N11O12S	975.391	NA	PeJP	NA	NA
+PJ110416	APCMMMHR 	C38H65N13O9S4	975.3912	NA	PeJP	NA	NA
+PJ110417	SPCCHHHR 	C38H57N17O10S2	975.3916	NA	PeJP	NA	NA
+PJ110418	ACHHHWW 	C46H53N15O8S	975.3923	NA	PeJP	NA	NA
+PJ110419	SSTTEEHW 	C41H57N11O17	975.3934	NA	PeJP	NA	NA
+PJ110420	GGGGGVEEEW 	C41H57N11O17	975.3935	NA	PeJP	NA	NA
+PJ110421	CNNNNNQR 	C34H57N17O15S	975.3941	NA	PeJP	NA	NA
+PJ110422	GGGGGGGGGGCQR 	C34H57N17O15S	975.3942	NA	PeJP	NA	NA
+PJ110423	DKEMMHW 	C42H61N11O12S2	975.3943	NA	PeJP	NA	NA
+PJ110424	GSSEHHHW 	C42H53N15O13	975.3948	NA	PeJP	NA	NA
+PJ110425	QMYYWW 	C50H57N9O10S	975.3949	NA	PeJP	NA	NA
+PJ110426	GCCNMHRR 	C35H61N17O10S3	975.395	NA	PeJP	NA	NA
+PJ110427	MMHHHHF 	C43H57N15O8S2	975.3956	NA	PeJP	NA	NA
+PJ110428	SSSSSCQKY 	C38H61N11O17S	975.3968	NA	PeJP	NA	NA
+PJ110429	STQEYYW 	C46H57N9O15	975.3974	NA	PeJP	NA	NA
+PJ110430	PTEEEWW 	C46H57N9O15	975.3975	NA	PeJP	NA	NA
+PJ110431	GSTMMMRY 	C39H65N11O12S3	975.3977	NA	PeJP	NA	NA
+PJ110432	SSSCNHRW 	C39H57N15O13S	975.3981	NA	PeJP	NA	NA
+PJ110433	GGGCNEHFR 	C39H57N15O13S	975.3982	NA	PeJP	NA	NA
+PJ110434	PPEMMWW 	C47H61N9O10S2	975.3983	NA	PeJP	NA	NA
+PJ110435	GNNNWWW 	C47H53N13O11	975.3988	NA	PeJP	NA	NA
+PJ110436	SSSSSNDHR 	C35H57N15O18	975.4006	NA	PeJP	NA	NA
+PJ110437	GNDDDERR 	C35H57N15O18	975.4007	NA	PeJP	NA	NA
+PJ110438	SSTTTMYW 	C43H61N9O15S	975.4008	NA	PeJP	NA	NA
+PJ110439	AAYYYYY 	C51H57N7O13	975.4015	NA	PeJP	NA	NA
+PJ110440	SKMMMYW 	C44H65N9O10S3	975.4017	NA	PeJP	NA	NA
+PJ110441	NNQMHFW 	C44H57N13O11S	975.4021	NA	PeJP	NA	NA
+PJ110442	PCNDRWW 	C44H57N13O11S	975.4022	NA	PeJP	NA	NA
+PJ110443	DHFWWW 	C52H53N11O9	975.4028	NA	PeJP	NA	NA
+PJ110444	SSSTTTTEY 	C39H61N9O20	975.4033	NA	PeJP	NA	NA
+PJ110445	SSTKEMMY 	C40H65N9O15S2	975.4042	NA	PeJP	NA	NA
+PJ110446	ASSSSSQHW 	C40H57N13O16	975.4046	NA	PeJP	NA	NA
+PJ110447	NNEEERW 	C40H57N13O16	975.4047	NA	PeJP	NA	NA
+PJ110448	AAKMMMMY 	C41H69N9O10S4	975.4051	NA	PeJP	NA	NA
+PJ110449	SEMMHRW 	C41H61N13O11S2	975.4055	NA	PeJP	NA	NA
+PJ110450	GNNNHHHF 	C41H53N17O12	975.406	NA	PeJP	NA	NA
+PJ110451	GPNMWWW 	C49H57N11O9S	975.4062	NA	PeJP	NA	NA
+PJ110452	SSTEEMHR 	C37H61N13O16S	975.408	NA	PeJP	NA	NA
+PJ110453	GGGGSPEEMR 	C37H61N13O16S	975.4081	NA	PeJP	NA	NA
+PJ110454	AQQEEWW 	C45H57N11O14	975.4087	NA	PeJP	NA	NA
+PJ110455	AAEMMMHR 	C38H65N13O11S3	975.4089	NA	PeJP	NA	NA
+PJ110456	GSDMHHHR 	C38H57N17O12S	975.4094	NA	PeJP	NA	NA
+PJ110457	SVMMHWW 	C46H61N11O9S2	975.4095	NA	PeJP	NA	NA
+PJ110458	TCLMHWW 	C46H61N11O9S2	975.4096	NA	PeJP	NA	NA
+PJ110459	SSHHHWW 	C46H53N15O10	975.41	NA	PeJP	NA	NA
+PJ110460	GSSNNNNNR 	C34H57N17O17	975.4119	NA	PeJP	NA	NA
+PJ110461	SQEMRYY 	C42H61N11O14S	975.412	NA	PeJP	NA	NA
+PJ110462	PEEEMRW 	C42H61N11O14S	975.4121	NA	PeJP	NA	NA
+PJ110463	GTTYYWW 	C50H57N9O12	975.4127	NA	PeJP	NA	NA
+PJ110464	GGSTCCHRR 	C35H61N17O12S2	975.4128	NA	PeJP	NA	NA
+PJ110465	LQMMMHW 	C43H65N11O9S3	975.4129	NA	PeJP	NA	NA
+PJ110466	CNNHFRW 	C43H57N15O10S	975.4134	NA	PeJP	NA	NA
+PJ110467	GSSSSSSSKY 	C38H61N11O19	975.4145	NA	PeJP	NA	NA
+PJ110468	GVEEEEER 	C38H61N11O19	975.4146	NA	PeJP	NA	NA
+PJ110469	SSTTMMRY 	C39H65N11O14S2	975.4154	NA	PeJP	NA	NA
+PJ110470	GGGGGAPLEMM 	C39H65N11O14S2	975.4155	NA	PeJP	NA	NA
+PJ110471	NDDDRRW 	C39H57N15O15	975.4159	NA	PeJP	NA	NA
+PJ110472	PVEEMWW 	C47H61N9O12S	975.4161	NA	PeJP	NA	NA
+PJ110473	APKMMMMH 	C40H69N11O9S4	975.4163	NA	PeJP	NA	NA
+PJ110474	GSCCKHRW 	C40H61N15O10S2	975.4168	NA	PeJP	NA	NA
+PJ110475	GSQHHHHH 	C40H53N19O11	975.4172	NA	PeJP	NA	NA
+PJ110476	GGGTHHHHH 	C40H53N19O11	975.4173	NA	PeJP	NA	NA
+PJ110477	AALEEEEW 	C43H61N9O17	975.4186	NA	PeJP	NA	NA
+PJ110478	SPCNDERR 	C36H61N15O15S	975.4193	NA	PeJP	NA	NA
+PJ110479	SPPLDMMW 	C44H65N9O12S2	975.4194	NA	PeJP	NA	NA
+PJ110480	SPPVEMMW 	C44H65N9O12S2	975.4195	NA	PeJP	NA	NA
+PJ110481	GNEERWW 	C44H57N13O13	975.4199	NA	PeJP	NA	NA
+PJ110482	GGGGGGGGAPFW 	C44H57N13O13	975.42	NA	PeJP	NA	NA
+PJ110483	DMMMHRR 	C37H65N15O10S3	975.4201	NA	PeJP	NA	NA
+PJ110484	GGPPCCMRR 	C37H65N15O10S3	975.4202	NA	PeJP	NA	NA
+PJ110485	PCMHFRW 	C45H61N13O8S2	975.4208	NA	PeJP	NA	NA
+PJ110486	SSSSTTLMY 	C40H65N9O17S	975.4219	NA	PeJP	NA	NA
+PJ110487	PVDKEEEM 	C40H65N9O17S	975.422	NA	PeJP	NA	NA
+PJ110488	PLEEYYY 	C48H61N7O15	975.4226	NA	PeJP	NA	NA
+PJ110489	ATTKMMMY 	C41H69N9O12S3	975.4228	NA	PeJP	NA	NA
+PJ110490	GSPNEMRW 	C41H61N13O13S	975.4233	NA	PeJP	NA	NA
+PJ110491	AAQEWWW 	C49H57N11O11	975.4239	NA	PeJP	NA	NA
+PJ110492	GGGVEWWW 	C49H57N11O11	975.424	NA	PeJP	NA	NA
+PJ110493	CLMMHRW 	C42H65N13O8S3	975.4242	NA	PeJP	NA	NA
+PJ110494	TCHHHRW 	C42H57N17O9S	975.4246	NA	PeJP	NA	NA
+PJ110495	EEEEERR 	C37H61N13O18	975.4258	NA	PeJP	NA	NA
+PJ110496	ATTEMMHR 	C38H65N13O13S2	975.4267	NA	PeJP	NA	NA
+PJ110497	SSSEHHHR 	C38H57N17O14	975.4271	NA	PeJP	NA	NA
+PJ110498	GGGGSPDHHR 	C38H57N17O14	975.4272	NA	PeJP	NA	NA
+PJ110499	PNDKMWW 	C46H61N11O11S	975.4273	NA	PeJP	NA	NA
+PJ110500	QFFYWW 	C54H57N9O9	975.428	NA	PeJP	NA	NA
+PJ110501	VEEEERW 	C42H61N11O16	975.4298	NA	PeJP	NA	NA
+PJ110502	GSSSSCHRR 	C35H61N17O14S	975.4305	NA	PeJP	NA	NA
+PJ110503	GTTLMMHW 	C43H65N11O11S2	975.4307	NA	PeJP	NA	NA
+PJ110504	SNNNRWW 	C43H57N15O12	975.4311	NA	PeJP	NA	NA
+PJ110505	GGGGSNRWW 	C43H57N15O12	975.4312	NA	PeJP	NA	NA
+PJ110506	KMYYWW 	C51H61N9O9S	975.4313	NA	PeJP	NA	NA
+PJ110507	ACCCKHRR 	C36H65N17O9S3	975.4314	NA	PeJP	NA	NA
+PJ110508	SSSSSCKKY 	C39H65N11O16S	975.4332	NA	PeJP	NA	NA
+PJ110509	VVEEEWW 	C47H61N9O14	975.4338	NA	PeJP	NA	NA
+PJ110510	GGPPPEEFF 	C47H61N9O14	975.4339	NA	PeJP	NA	NA
+PJ110511	TCCCKKKY 	C40H69N11O11S3	975.4341	NA	PeJP	NA	NA
+PJ110512	GSPCDRRW 	C40H61N15O12S	975.4345	NA	PeJP	NA	NA
+PJ110513	GGGGGGAAMRW 	C40H61N15O12S	975.4346	NA	PeJP	NA	NA
+PJ110514	AKMMFYW 	C48H65N9O9S2	975.4347	NA	PeJP	NA	NA
+PJ110515	NERWWW 	C48H57N13O10	975.4352	NA	PeJP	NA	NA
+PJ110516	GSNEEERR 	C36H61N15O17	975.437	NA	PeJP	NA	NA
+PJ110517	GGGGGGSDKER 	C36H61N15O17	975.4371	NA	PeJP	NA	NA
+PJ110518	APTLEEMW 	C44H65N9O14S	975.4372	NA	PeJP	NA	NA
+PJ110519	GPNDMMRR 	C37H65N15O12S2	975.4379	NA	PeJP	NA	NA
+PJ110520	APPLMMMW 	C45H69N9O9S3	975.4381	NA	PeJP	NA	NA
+PJ110521	GNNNQHHR 	C37H57N19O13	975.4384	NA	PeJP	NA	NA
+PJ110522	SPNMRWW 	C45H61N13O10S	975.4385	NA	PeJP	NA	NA
+PJ110523	AASPCRWW 	C45H61N13O10S	975.4386	NA	PeJP	NA	NA
+PJ110524	VNWWWW 	C53H57N11O8	975.4392	NA	PeJP	NA	NA
+PJ110525	STTTTTTTY 	C40H65N9O19	975.4397	NA	PeJP	NA	NA
+PJ110526	TTTTKMMY 	C41H69N9O14S2	975.4406	NA	PeJP	NA	NA
+PJ110527	NDKEERW 	C41H61N13O15	975.441	NA	PeJP	NA	NA
+PJ110528	GGDKEERW 	C41H61N13O15	975.4411	NA	PeJP	NA	NA
+PJ110529	PQQMMRW 	C42H65N13O10S2	975.4419	NA	PeJP	NA	NA
+PJ110530	NEHHHFR 	C42H57N17O11	975.4424	NA	PeJP	NA	NA
+PJ110531	APCKWWW 	C50H61N11O8S	975.4426	NA	PeJP	NA	NA
+PJ110532	TTTTEMHR 	C38H65N13O15S	975.4444	NA	PeJP	NA	NA
+PJ110533	GGGGGGGGLKEM 	C38H65N13O15S	975.4445	NA	PeJP	NA	NA
+PJ110534	AQKEEWW 	C46H61N11O13	975.4451	NA	PeJP	NA	NA
+PJ110535	GTLMMMHR 	C39H69N13O10S3	975.4453	NA	PeJP	NA	NA
+PJ110536	CNNQRRW 	C39H61N17O11S	975.4458	NA	PeJP	NA	NA
+PJ110537	PKMMHFW 	C47H65N11O8S2	975.4459	NA	PeJP	NA	NA
+PJ110538	VNHHHFW 	C47H57N15O9	975.4464	NA	PeJP	NA	NA
+PJ110539	GSDDDRRR 	C35H61N17O16	975.4483	NA	PeJP	NA	NA
+PJ110540	STTTLMHW 	C43H65N11O13S	975.4484	NA	PeJP	NA	NA
+PJ110541	GGAPTKEMW 	C43H65N11O13S	975.4485	NA	PeJP	NA	NA
+PJ110542	PPVEYWW 	C51H61N9O11	975.4491	NA	PeJP	NA	NA
+PJ110543	LKMMMHW 	C44H69N11O8S3	975.4493	NA	PeJP	NA	NA
+PJ110544	TKMHHHW 	C44H61N15O9S	975.4498	NA	PeJP	NA	NA
+PJ110545	GRWWWW 	C52H57N13O7	975.4504	NA	PeJP	NA	NA
+PJ110546	SSTTTTLEH 	C39H65N11O18	975.4509	NA	PeJP	NA	NA
+PJ110547	ATLEEEER 	C39H65N11O18	975.451	NA	PeJP	NA	NA
+PJ110548	APLEEMMR 	C40H69N11O13S2	975.4518	NA	PeJP	NA	NA
+PJ110549	SNEERRW 	C40H61N15O14	975.4523	NA	PeJP	NA	NA
+PJ110550	SVKMYYW 	C48H65N9O11S	975.4524	NA	PeJP	NA	NA
+PJ110551	TCLKYYW 	C48H65N9O11S	975.4525	NA	PeJP	NA	NA
+PJ110552	PCQMRRW 	C41H65N15O9S2	975.4532	NA	PeJP	NA	NA
+PJ110553	GSKHHHHH 	C41H57N19O10	975.4536	NA	PeJP	NA	NA
+PJ110554	STTTLQYY 	C44H65N9O16	975.4549	NA	PeJP	NA	NA
+PJ110555	GTLLEEEW 	C44H65N9O16	975.455	NA	PeJP	NA	NA
+PJ110556	QQEEMRR 	C37H65N15O14S	975.4556	NA	PeJP	NA	NA
+PJ110557	GAQEEMRR 	C37H65N15O14S	975.4557	NA	PeJP	NA	NA
+PJ110558	GPLLEMMW 	C45H69N9O11S2	975.4558	NA	PeJP	NA	NA
+PJ110559	GDKERWW 	C45H61N13O12	975.4563	NA	PeJP	NA	NA
+PJ110560	ACCKKMHR 	C38H69N15O9S3	975.4565	NA	PeJP	NA	NA
+PJ110561	GPCNHHRR 	C38H61N19O10S	975.457	NA	PeJP	NA	NA
+PJ110562	GHHHFRW 	C46H57N17O8	975.4577	NA	PeJP	NA	NA
+PJ110563	PTLKEEEM 	C41H69N9O16S	975.4583	NA	PeJP	NA	NA
+PJ110564	GGVLLEEEM 	C41H69N9O16S	975.4584	NA	PeJP	NA	NA
+PJ110565	LLEEFYY 	C49H65N7O14	975.459	NA	PeJP	NA	NA
+PJ110566	PPLKEMMM 	C42H73N9O11S3	975.4592	NA	PeJP	NA	NA
+PJ110567	VQQEMRW 	C42H65N13O12S	975.4597	NA	PeJP	NA	NA
+PJ110568	AAKEWWW 	C50H61N11O10	975.4603	NA	PeJP	NA	NA
+PJ110569	GTQKEEER 	C38H65N13O17	975.4622	NA	PeJP	NA	NA
+PJ110570	STTLMMHR 	C39H69N13O12S2	975.463	NA	PeJP	NA	NA
+PJ110571	GPQKEMMR 	C39H69N13O12S2	975.4631	NA	PeJP	NA	NA
+PJ110572	GSSNNRRW 	C39H61N17O13	975.4635	NA	PeJP	NA	NA
+PJ110573	GGGGGGGAPPHR 	C39H61N17O13	975.4636	NA	PeJP	NA	NA
+PJ110574	PTQKMWW 	C47H65N11O10S	975.4637	NA	PeJP	NA	NA
+PJ110575	KFFYWW 	C55H61N9O8	975.4643	NA	PeJP	NA	NA
+PJ110576	PPPFFWW 	C55H61N9O8	975.4644	NA	PeJP	NA	NA
+PJ110577	QKKEEEW 	C43H65N11O15	975.4662	NA	PeJP	NA	NA
+PJ110578	NDEMRRR 	C36H65N17O13S	975.4669	NA	PeJP	NA	NA
+PJ110579	GPVQKMMW 	C44H69N11O10S2	975.4671	NA	PeJP	NA	NA
+PJ110580	GSERRWW 	C44H61N15O11	975.4675	NA	PeJP	NA	NA
+PJ110581	GGGPTKHHW 	C44H61N15O11	975.4676	NA	PeJP	NA	NA
+PJ110582	PPLMFWW 	C52H65N9O8S	975.4677	NA	PeJP	NA	NA
+PJ110583	GLLEEEMR 	C40H69N11O15S	975.4696	NA	PeJP	NA	NA
+PJ110584	TLLEEWW 	C48H65N9O13	975.4702	NA	PeJP	NA	NA
+PJ110585	PPTLMMMR 	C41H73N11O10S3	975.4704	NA	PeJP	NA	NA
+PJ110586	GGPPKKMMM 	C41H73N11O10S3	975.4705	NA	PeJP	NA	NA
+PJ110587	AQEMRRW 	C41H65N15O11S	975.4709	NA	PeJP	NA	NA
+PJ110588	PLLMMWW 	C49H69N9O8S2	975.4711	NA	PeJP	NA	NA
+PJ110589	DKRWWW 	C49H61N13O9	975.4716	NA	PeJP	NA	NA
+PJ110590	GSDKEERR 	C37H65N15O16	975.4734	NA	PeJP	NA	NA
+PJ110591	GVLLEEMW 	C45H69N9O13S	975.4736	NA	PeJP	NA	NA
+PJ110592	GPTQMMRR 	C38H69N15O11S2	975.4743	NA	PeJP	NA	NA
+PJ110593	NQEHHRR 	C38H61N19O12	975.4747	NA	PeJP	NA	NA
+PJ110594	GGQEHHRR 	C38H61N19O12	975.4748	NA	PeJP	NA	NA
+PJ110595	GLQMRWW 	C46H65N13O9S	975.4749	NA	PeJP	NA	NA
+PJ110596	SLLKEEEE 	C41H69N9O18	975.4761	NA	PeJP	NA	NA
+PJ110597	PVLKEEMM 	C42H73N9O13S2	975.477	NA	PeJP	NA	NA
+PJ110598	TQKEERW 	C42H65N13O14	975.4774	NA	PeJP	NA	NA
+PJ110599	GGGGGTKKEW 	C42H65N13O14	975.4775	NA	PeJP	NA	NA
+PJ110600	CDDRRRR 	C35H65N19O12S	975.4781	NA	PeJP	NA	NA
+PJ110601	PQKMMRW 	C43H69N13O9S2	975.4783	NA	PeJP	NA	NA
+PJ110602	VNQHHRW 	C43H61N17O10	975.4788	NA	PeJP	NA	NA
+PJ110603	GVQKEEMR 	C39H69N13O14S	975.4808	NA	PeJP	NA	NA
+PJ110604	SLQKEWW 	C47H65N11O12	975.4814	NA	PeJP	NA	NA
+PJ110605	AKKEEWW 	C47H65N11O12	975.4815	NA	PeJP	NA	NA
+PJ110606	ACKKKMMH 	C40H73N13O9S3	975.4817	NA	PeJP	NA	NA
+PJ110607	CNNKRRW 	C40H65N17O10S	975.4821	NA	PeJP	NA	NA
+PJ110608	GDMRRRW 	C40H65N17O10S	975.4822	NA	PeJP	NA	NA
+PJ110609	SRRWWW 	C48H61N15O8	975.4828	NA	PeJP	NA	NA
+PJ110610	SSNNDKRR 	C36H65N17O15	975.4846	NA	PeJP	NA	NA
+PJ110611	GSSEERRR 	C36H65N17O15	975.4847	NA	PeJP	NA	NA
+PJ110612	LLEEMRW 	C44H69N11O12S	975.4848	NA	PeJP	NA	NA
+PJ110613	GGGGGAPLLMF 	C44H69N11O12S	975.4849	NA	PeJP	NA	NA
+PJ110614	PVLEFWW 	C52H65N9O10	975.4855	NA	PeJP	NA	NA
+PJ110615	AAMRRWW 	C45H65N15O8S	975.4862	NA	PeJP	NA	NA
+PJ110616	STLLEEER 	C40H69N11O17	975.4873	NA	PeJP	NA	NA
+PJ110617	SPLLEMMR 	C41H73N11O12S2	975.4882	NA	PeJP	NA	NA
+PJ110618	SDKERRW 	C41H65N15O13	975.4887	NA	PeJP	NA	NA
+PJ110619	PKKMFYY 	C49H69N9O10S	975.4888	NA	PeJP	NA	NA
+PJ110620	VLLEMWW 	C49H69N9O10S	975.4889	NA	PeJP	NA	NA
+PJ110621	PCKMRRW 	C42H69N15O8S2	975.4895	NA	PeJP	NA	NA
+PJ110622	GQHHRRW 	C42H61N19O9	975.49	NA	PeJP	NA	NA
+PJ110623	VTTILDEW 	C45H69N9O15	975.4913	NA	PeJP	NA	NA
+PJ110624	SSLLLEEW 	C45H69N9O15	975.4914	NA	PeJP	NA	NA
+PJ110625	QKEEMRR 	C38H69N15O13S	975.492	NA	PeJP	NA	NA
+PJ110626	GAKEEMRR 	C38H69N15O13S	975.4921	NA	PeJP	NA	NA
+PJ110627	SPVLLMMW 	C46H73N9O10S2	975.4922	NA	PeJP	NA	NA
+PJ110628	ATKERWW 	C46H65N13O11	975.4927	NA	PeJP	NA	NA
+PJ110629	VVLKEEEM 	C42H73N9O15S	975.4947	NA	PeJP	NA	NA
+PJ110630	LLLEYYY 	C50H69N7O13	975.4954	NA	PeJP	NA	NA
+PJ110631	PLLLQMMM 	C43H77N9O10S3	975.4956	NA	PeJP	NA	NA
+PJ110632	SSSNNRRR 	C35H65N19O14	975.4959	NA	PeJP	NA	NA
+PJ110633	VQKEMRW 	C43H69N13O11S	975.4961	NA	PeJP	NA	NA
+PJ110634	GTLKWWW 	C51H65N11O9	975.4967	NA	PeJP	NA	NA
+PJ110635	APTTTTTQR 	C39H69N13O16	975.4985	NA	PeJP	NA	NA
+PJ110636	GTKKEEER 	C39H69N13O16	975.4986	NA	PeJP	NA	NA
+PJ110637	GPKKEMMR 	C40H73N13O11S2	975.4994	NA	PeJP	NA	NA
+PJ110638	GGGAALLMMR 	C40H73N13O11S2	975.4995	NA	PeJP	NA	NA
+PJ110639	SSERRRW 	C40H65N17O12	975.4999	NA	PeJP	NA	NA
+PJ110640	PTKKMWW 	C48H69N11O9S	975.5001	NA	PeJP	NA	NA
+PJ110641	PHHHHRR 	C41H61N21O8	975.5013	NA	PeJP	NA	NA
+PJ110642	KKKEEEW 	C44H69N11O14	975.5026	NA	PeJP	NA	NA
+PJ110643	TQEMRRR 	C37H69N17O12S	975.5033	NA	PeJP	NA	NA
+PJ110644	GPVKKMMW 	C45H73N11O9S2	975.5035	NA	PeJP	NA	NA
+PJ110645	ATTRRWW 	C45H65N15O10	975.5039	NA	PeJP	NA	NA
+PJ110646	SSPPTTKKM 	C41H73N11O14S	975.5059	NA	PeJP	NA	NA
+PJ110647	SVLLEEMR 	C41H73N11O14S	975.506	NA	PeJP	NA	NA
+PJ110648	GPVLLEYW 	C49H69N9O12	975.5066	NA	PeJP	NA	NA
+PJ110649	PVVLMMMR 	C42H77N11O9S3	975.5068	NA	PeJP	NA	NA
+PJ110650	AKEMRRW 	C42H69N15O10S	975.5073	NA	PeJP	NA	NA
+PJ110651	ALHFFRW 	C50H65N13O8	975.5079	NA	PeJP	NA	NA
+PJ110652	GPKFRWW 	C50H65N13O8	975.508	NA	PeJP	NA	NA
+PJ110653	GTTKEERR 	C38H69N15O15	975.5098	NA	PeJP	NA	NA
+PJ110654	ATLLLEMW 	C46H73N9O12S	975.51	NA	PeJP	NA	NA
+PJ110655	GPTKMMRR 	C39H73N15O10S2	975.5107	NA	PeJP	NA	NA
+PJ110656	NNNFRRR 	C39H65N19O11	975.5111	NA	PeJP	NA	NA
+PJ110657	GGGGNFRRR 	C39H65N19O11	975.5112	NA	PeJP	NA	NA
+PJ110658	GLKMRWW 	C47H69N13O8S	975.5113	NA	PeJP	NA	NA
+PJ110659	GTTTLLLEE 	C42H73N9O17	975.5125	NA	PeJP	NA	NA
+PJ110660	SSPVVLLMM 	C43H77N9O12S2	975.5133	NA	PeJP	NA	NA
+PJ110661	VLLLQEMM 	C43H77N9O12S2	975.5134	NA	PeJP	NA	NA
+PJ110662	TKKEERW 	C43H69N13O13	975.5138	NA	PeJP	NA	NA
+PJ110663	GGGGGGGGLLKF 	C43H69N13O13	975.5139	NA	PeJP	NA	NA
+PJ110664	SDMRRRR 	C36H69N19O11S	975.5145	NA	PeJP	NA	NA
+PJ110665	PKKMMRW 	C44H73N13O8S2	975.5147	NA	PeJP	NA	NA
+PJ110666	PPQHRRW 	C44H65N17O9	975.5152	NA	PeJP	NA	NA
+PJ110667	GVKKEEMR 	C40H73N13O13S	975.5172	NA	PeJP	NA	NA
+PJ110668	SLKKEWW 	C48H69N11O11	975.5178	NA	PeJP	NA	NA
+PJ110669	AAAAPVKYW 	C48H69N11O11	975.5179	NA	PeJP	NA	NA
+PJ110670	ATMRRRW 	C41H69N17O9S	975.5185	NA	PeJP	NA	NA
+PJ110671	GTTTERRR 	C37H69N17O14	975.521	NA	PeJP	NA	NA
+PJ110672	AALKKEMW 	C45H73N11O11S	975.5212	NA	PeJP	NA	NA
+PJ110673	PVLLYWW 	C53H69N9O9	975.5219	NA	PeJP	NA	NA
+PJ110674	SQHHRRR 	C38H65N21O10	975.5224	NA	PeJP	NA	NA
+PJ110675	SVKKKEEE 	C41H73N11O16	975.5237	NA	PeJP	NA	NA
+PJ110676	ALLLEMMR 	C42H77N11O11S2	975.5246	NA	PeJP	NA	NA
+8112	peptide derived from lecithin-free egg yolk	LELHKLRSSHWFSRR	975.525	MH2+	Inhouse_peptide	NA	peptide
+PJ110677	APTTQFRR 	C42H69N15O12	975.525	NA	PeJP	NA	NA
+PJ110678	TTKERRW 	C42H69N15O12	975.5251	NA	PeJP	NA	NA
+PJ110679	GPLLLMFW 	C50H73N9O9S	975.5252	NA	PeJP	NA	NA
+PJ110680	GKHHRRW 	C43H65N19O8	975.5264	NA	PeJP	NA	NA
+PJ110681	TTTLLLEW 	C46H73N9O14	975.5277	NA	PeJP	NA	NA
+PJ110682	AAALLLEEF 	C46H73N9O14	975.5278	NA	PeJP	NA	NA
+PJ110683	KKEEMRR 	C39H73N15O12S	975.5284	NA	PeJP	NA	NA
+PJ110684	GGGGGGCKKKK 	C39H73N15O12S	975.5285	NA	PeJP	NA	NA
+PJ110685	GLLLLMMW 	C47H77N9O9S2	975.5286	NA	PeJP	NA	NA
+PJ110686	STLKRWW 	C47H69N13O10	975.5291	NA	PeJP	NA	NA
+PJ110687	TLLLKEEM 	C43H77N9O14S	975.5311	NA	PeJP	NA	NA
+PJ110688	PLLLKMMM 	C44H81N9O9S3	975.532	NA	PeJP	NA	NA
+PJ110689	QQKKKMW 	C44H73N13O10S	975.5324	NA	PeJP	NA	NA
+PJ110690	VKKEMRW 	C44H73N13O10S	975.5325	NA	PeJP	NA	NA
+PJ110691	VLKHFFW 	C52H69N11O8	975.5331	NA	PeJP	NA	NA
+PJ110692	SSLKKEER 	C40H73N13O15	975.5349	NA	PeJP	NA	NA
+PJ110693	STLDKKER 	C40H73N13O15	975.535	NA	PeJP	NA	NA
+PJ110694	SPVKKMMR 	C41H77N13O10S2	975.5358	NA	PeJP	NA	NA
+PJ110695	TTTRRRW 	C41H69N17O11	975.5363	NA	PeJP	NA	NA
+PJ110696	VVKKMWW 	C49H73N11O8S	975.5365	NA	PeJP	NA	NA
+PJ110697	ATTLKKEW 	C45H73N11O13	975.539	NA	PeJP	NA	NA
+PJ110698	TKEMRRR 	C38H73N17O11S	975.5397	NA	PeJP	NA	NA
+PJ110699	APKRRYW 	C46H69N15O9	975.5403	NA	PeJP	NA	NA
+PJ110700	TTLLLEMR 	C42H77N11O13S	975.5423	NA	PeJP	NA	NA
+PJ110701	ALKKKEEM 	C42H77N11O13S	975.5424	NA	PeJP	NA	NA
+PJ110702	APTLLLYW 	C50H73N9O11	975.543	NA	PeJP	NA	NA
+PJ110703	SLKMRRW 	C43H73N15O9S	975.5437	NA	PeJP	NA	NA
+PJ110704	SSTLKERR 	C39H73N15O14	975.5462	NA	PeJP	NA	NA
+PJ110705	STLLLLMW 	C47H77N9O11S	975.5464	NA	PeJP	NA	NA
+PJ110706	AALKMMRR 	C40H77N15O9S2	975.5471	NA	PeJP	NA	NA
+PJ110707	GEFRRRR 	C40H69N19O10	975.5475	NA	PeJP	NA	NA
+PJ110708	SSTTLLLLE 	C43H77N9O16	975.5489	NA	PeJP	NA	NA
+PJ110709	VLLLKEMM 	C44H81N9O11S2	975.5497	NA	PeJP	NA	NA
+PJ110710	SSSLLKRW 	C44H73N13O12	975.5502	NA	PeJP	NA	NA
+PJ110711	TTMRRRR 	C37H73N19O10S	975.5509	NA	PeJP	NA	NA
+PJ110712	GVFRRRW 	C45H69N17O8	975.5516	NA	PeJP	NA	NA
+PJ110713	ATLKKEMR 	C41H77N13O12S	975.5536	NA	PeJP	NA	NA
+PJ110714	AAPLKKYW 	C49H73N11O10	975.5542	NA	PeJP	NA	NA
+PJ110715	SSTTLRRR 	C38H73N17O13	975.5574	NA	PeJP	NA	NA
+PJ110716	GTLLKKMW 	C46H77N11O10S	975.5576	NA	PeJP	NA	NA
+PJ110717	VLLLFWW 	C54H73N9O8	975.5582	NA	PeJP	NA	NA
+PJ110718	VKMMRRR 	C39H77N17O8S2	975.5583	NA	PeJP	NA	NA
+PJ110719	SKHHRRR 	C39H69N21O9	975.5588	NA	PeJP	NA	NA
+PJ110720	TTLKKKEE 	C42H77N11O15	975.5601	NA	PeJP	NA	NA
+PJ110721	SLLLLMMR 	C43H81N11O10S2	975.561	NA	PeJP	NA	NA
+PJ110722	GSSKKKRW 	C43H73N15O11	975.5614	NA	PeJP	NA	NA
+PJ110723	AAAAVVRRY 	C43H73N15O11	975.5615	NA	PeJP	NA	NA
+PJ110724	FRRRRW 	C44H69N19O7	975.5628	NA	PeJP	NA	NA
+PJ110725	PTLLLKEY 	C47H77N9O13	975.5641	NA	PeJP	NA	NA
+PJ110726	ATTLKMRR 	C40H77N15O11S	975.5648	NA	PeJP	NA	NA
+PJ110727	PVKKRYW 	C48H73N13O9	975.5655	NA	PeJP	NA	NA
+PJ110728	SSSLLLLLM 	C44H81N9O13S	975.5675	NA	PeJP	NA	NA
+PJ110729	QKKKKMW 	C45H77N13O9S	975.5688	NA	PeJP	NA	NA
+PJ110730	TTTLKKER 	C41H77N13O14	975.5713	NA	PeJP	NA	NA
+PJ110731	GLLKKMMR 	C42H81N13O9S2	975.5722	NA	PeJP	NA	NA
+PJ110732	PTKRRRY 	C42H73N17O10	975.5727	NA	PeJP	NA	NA
+PJ110733	STTILKKW 	C46H77N11O12	975.5753	NA	PeJP	NA	NA
+PJ110734	STTLLKKW 	C46H77N11O12	975.5754	NA	PeJP	NA	NA
+PJ110735	GTCKKKRR 	C39H77N17O10S	975.576	NA	PeJP	NA	NA
+PJ110736	ASCKKKRR 	C39H77N17O10S	975.5761	NA	PeJP	NA	NA
+PJ110737	ALKFRRW 	C47H73N15O8	975.5767	NA	PeJP	NA	NA
+PJ110738	SLLKKKEM 	C43H81N11O12S	975.5787	NA	PeJP	NA	NA
+PJ110739	GVLLLLYW 	C51H77N9O10	975.5794	NA	PeJP	NA	NA
+PJ110740	CKKKKRW 	C44H77N15O8S	975.5801	NA	PeJP	NA	NA
+PJ110741	TTTTLKRR 	C40H77N15O13	975.5826	NA	PeJP	NA	NA
+PJ110742	PVLLLKMY 	C48H81N9O10S	975.5828	NA	PeJP	NA	NA
+PJ110743	GLRRRRY 	C41H73N19O9	975.5839	NA	PeJP	NA	NA
+PJ110744	TTTTTLLLL 	C44H81N9O15	975.5852	NA	PeJP	NA	NA
+PJ110745	GTTKKKKW 	C45H77N13O11	975.5866	NA	PeJP	NA	NA
+PJ110746	STLLKKMR 	C42H81N13O11S	975.59	NA	PeJP	NA	NA
+PJ110747	LLLLRYW 	C50H77N11O9	975.5906	NA	PeJP	NA	NA
+PJ110748	SSSKKKRR 	C39H77N17O12	975.5938	NA	PeJP	NA	NA
+PJ110749	ALLLLMFR 	C47H81N11O9S	975.594	NA	PeJP	NA	NA
+PJ110750	PVHRRRR 	C40H73N21O8	975.5952	NA	PeJP	NA	NA
+PJ110751	SSSTLLLKK 	C43H81N11O14	975.5965	NA	PeJP	NA	NA
+PJ110752	VVLKKKMM 	C44H85N11O9S2	975.5974	NA	PeJP	NA	NA
+PJ110753	LLQKRRY 	C44H77N15O10	975.5978	NA	PeJP	NA	NA
+PJ110754	VVLLLKEY 	C48H81N9O12	975.6005	NA	PeJP	NA	NA
+PJ110755	GTKKKKMR 	C41H81N15O10S	975.6012	NA	PeJP	NA	NA
+PJ110756	VLKKFRW 	C49H77N13O8	975.6018	NA	PeJP	NA	NA
+PJ110757	KKKKKMW 	C46H81N13O8S	975.6052	NA	PeJP	NA	NA
+PJ110758	STKKKKKE 	C42H81N13O13	975.6077	NA	PeJP	NA	NA
+PJ110759	VVKRRRY 	C43H77N17O9	975.6091	NA	PeJP	NA	NA
+PJ110760	SVLLLLRY 	C47H81N11O11	975.6117	NA	PeJP	NA	NA
+PJ110761	GAALLLKKY 	C47H81N11O11	975.6118	NA	PeJP	NA	NA
+PJ110762	PVLLLKFF 	C52H81N9O9	975.6158	NA	PeJP	NA	NA
+PJ110763	STTKKKKR 	C41H81N15O12	975.619	NA	PeJP	NA	NA
+PJ110764	VLLLLKMF 	C49H85N9O9S	975.6191	NA	PeJP	NA	NA
+PJ110765	GVLLKKRY 	C46H81N13O10	975.623	NA	PeJP	NA	NA
+PJ110766	SVKKKKKM 	C43H85N13O10S	975.6264	NA	PeJP	NA	NA
+PJ110767	LLKKRRY 	C45H81N15O9	975.6342	NA	PeJP	NA	NA
+PJ110768	TLLLLLKY 	C49H85N9O11	975.6369	NA	PeJP	NA	NA
+PJ110769	ALLLKKKY 	C48H85N11O10	975.6481	NA	PeJP	NA	NA
+PJ110770	VLLLLLHR 	C47H85N13O9	975.6594	NA	PeJP	NA	NA
+PJ110771	PPVVLLLLL 	C50H89N9O10	975.6733	NA	PeJP	NA	NA
+PJ110772	SCCCCNDDD 	C31H48N10O18S4	976.2031	NA	PeJP	NA	NA
+PJ110773	PCCCCCCNE 	C32H52N10O13S6	976.204	NA	PeJP	NA	NA
+MJ099012	3',4',5,7-Tetrahydroxyflavone; 3'-O-[4-Hydroxy-3-methoxycinnamoyl-(??)-?-D-glucopyranoside], 4',7-di-O-?-D-glucuronopyranoside 	C43H44O26	976.212081	NA	MeJP	NA	NA
+PJ110774	GPCCCCCCW 	C36H52N10O10S6	976.2193	NA	PeJP	NA	NA
+PJ110775	GCCCCNDEM 	C32H52N10O15S5	976.2218	NA	PeJP	NA	NA
+PJ110776	GCCCCCDDR 	C31H52N12O14S5	976.233	NA	PeJP	NA	NA
+PJ110777	CCCCNDMW 	C36H52N10O12S5	976.237	NA	PeJP	NA	NA
+PJ110778	SSCCCNDDM 	C32H52N10O17S4	976.2395	NA	PeJP	NA	NA
+PJ110779	SPCCCCCQM 	C33H56N10O12S6	976.2404	NA	PeJP	NA	NA
+PJ110780	CCDDDDEY 	C36H48N8O20S2	976.2427	NA	PeJP	NA	NA
+PJ110781	CCDDEMMM 	C34H56N8O15S5	976.2469	NA	PeJP	NA	NA
+PJ110782	GSSSCCCCNN 	C31H52N12O16S4	976.2507	NA	PeJP	NA	NA
+PJ110783	GGGSSSCCCCN 	C31H52N12O16S4	976.2508	NA	PeJP	NA	NA
+PJ110784	SPCCCCCCR 	C32H56N12O11S6	976.2516	NA	PeJP	NA	NA
+PJ110785	ACCCCCWW 	C40H52N10O9S5	976.2523	NA	PeJP	NA	NA
+PJ110786	GSSCCCCEW 	C36H52N10O14S4	976.2548	NA	PeJP	NA	NA
+PJ110787	CCCCMMHF 	C37H56N10O9S6	976.2556	NA	PeJP	NA	NA
+PJ110788	GSSSSCCCDE 	C32H52N10O19S3	976.2573	NA	PeJP	NA	NA
+PJ110789	GSCCCNEMM 	C33H56N10O14S5	976.2581	NA	PeJP	NA	NA
+PJ110790	GGGSCCCEMM 	C33H56N10O14S5	976.2582	NA	PeJP	NA	NA
+PJ110791	GCCCCYYY 	C41H52N8O12S4	976.2588	NA	PeJP	NA	NA
+PJ110792	CCDDDEMF 	C37H52N8O17S3	976.2613	NA	PeJP	NA	NA
+PJ110793	GCCCCNNNF 	C35H52N12O13S4	976.266	NA	PeJP	NA	NA
+PJ110794	GSCCCCDMR 	C32H56N12O13S5	976.2694	NA	PeJP	NA	NA
+PJ110795	SSCCCCWW 	C40H52N10O11S4	976.27	NA	PeJP	NA	NA
+PJ110796	DDDDDDMH 	C35H48N10O21S	976.2717	NA	PeJP	NA	NA
+PJ110797	SSSSCCCDW 	C36H52N10O16S3	976.2725	NA	PeJP	NA	NA
+PJ110798	SCCCNMMW 	C37H56N10O11S5	976.2734	NA	PeJP	NA	NA
+PJ110799	SSSSSSCCDD 	C32H52N10O21S2	976.275	NA	PeJP	NA	NA
+PJ110800	SSSCCNDMM 	C33H56N10O16S4	976.2759	NA	PeJP	NA	NA
+PJ110801	CCNNMMMM 	C34H60N10O11S6	976.2768	NA	PeJP	NA	NA
+PJ110802	GSCCCCQHH 	C34H52N14O12S4	976.2772	NA	PeJP	NA	NA
+PJ110803	GGGTCCCCHH 	C34H52N14O12S4	976.2773	NA	PeJP	NA	NA
+PJ110804	SCDDDEMY 	C37H52N8O19S2	976.2791	NA	PeJP	NA	NA
+PJ110805	PCCDDMMY 	C38H56N8O14S4	976.2799	NA	PeJP	NA	NA
+PJ110806	GSCNDDDDH 	C34H48N12O20S	976.2829	NA	PeJP	NA	NA
+PJ110807	SCDEMMMM 	C35H60N8O14S5	976.2833	NA	PeJP	NA	NA
+PJ110808	GSCCCNNNY 	C35H52N12O15S3	976.2838	NA	PeJP	NA	NA
+PJ110809	PCCMMMMM 	C36H64N8O9S7	976.2842	NA	PeJP	NA	NA
+PJ110810	TCCCCCRW 	C36H56N12O10S5	976.2846	NA	PeJP	NA	NA
+FL5FCAGS0014	Kaempferol 7-methyl ether 3-(6-(E)-3,5-dimethoxy-4-hydroxycinnamoylglucosyl)-(1->2)-[rhamnosyl-(1->6)-glucoside];3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	C45H52O24	976.28485	319481-52-2	knapsack	NA	NA
+MJ099013	3,4',5-Trihydroxy-7-methoxyflavone; 3-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)[?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C45H52O24	976.284852	NA	MeJP	NA	NA
+PJ110811	SSSCCCCER 	C32H56N12O15S4	976.2871	NA	PeJP	NA	NA
+PJ110812	GCCCNEYW 	C40H52N10O13S3	976.2878	NA	PeJP	NA	NA
+PJ110813	CCCCQMMR 	C33H60N12O10S6	976.288	NA	PeJP	NA	NA
+PJ110814	GPNDDDDDD 	C35H48N10O23	976.2894	NA	PeJP	NA	NA
+PJ110815	GSSCCNDEY 	C36H52N10O18S2	976.2903	NA	PeJP	NA	NA
+PJ110816	GTTTCCCCW 	C37H56N10O13S4	976.2911	NA	PeJP	NA	NA
+PJ110817	GSSTCCCMW 	C37H56N10O13S4	976.2912	NA	PeJP	NA	NA
+PJ110818	GDDDDDYY 	C40H48N8O21	976.2934	NA	PeJP	NA	NA
+PJ110819	ASSSSSCCDM 	C33H56N10O18S3	976.2936	NA	PeJP	NA	NA
+PJ110820	GSSSSSCCEM 	C33H56N10O18S3	976.2937	NA	PeJP	NA	NA
+PJ110821	PCCDDDFY 	C41H52N8O16S2	976.2943	NA	PeJP	NA	NA
+PJ110822	GSSCCQMMM 	C34H60N10O13S5	976.2945	NA	PeJP	NA	NA
+PJ110823	SSSCCCNHH 	C34H52N14O14S3	976.295	NA	PeJP	NA	NA
+PJ110824	GDDDMMMY 	C38H56N8O16S3	976.2977	NA	PeJP	NA	NA
+PJ110825	PCCDMMMF 	C39H60N8O11S5	976.2986	NA	PeJP	NA	NA
+PJ110826	PCCCNDHW 	C39H52N12O12S3	976.299	NA	PeJP	NA	NA
+PJ110827	CCCCCMRR 	C32H60N14O9S6	976.2992	NA	PeJP	NA	NA
+PJ110828	CNNDDEMH 	C35H52N12O17S2	976.3015	NA	PeJP	NA	NA
+PJ110829	GDMMMMMM 	C36H64N8O11S6	976.3019	NA	PeJP	NA	NA
+PJ110830	CCCCNEFR 	C36H56N12O12S4	976.3024	NA	PeJP	NA	NA
+PJ110831	CCCNYWW 	C44H52N10O10S3	976.303	NA	PeJP	NA	NA
+PJ110832	SSCCNDYW 	C40H52N10O15S2	976.3055	NA	PeJP	NA	NA
+PJ110833	GGCCNDDFF 	C40H52N10O15S2	976.3056	NA	PeJP	NA	NA
+PJ110834	GSSCCCMMR 	C33H60N12O12S5	976.3058	NA	PeJP	NA	NA
+PJ110835	GCCCQMFW 	C41H56N10O10S4	976.3064	NA	PeJP	NA	NA
+PJ110836	SSSSCNDDY 	C36H52N10O20S	976.308	NA	PeJP	NA	NA
+PJ110837	SDDDEEMH 	C36H52N10O20S	976.3081	NA	PeJP	NA	NA
+PJ110838	SSSSSCCMW 	C37H56N10O15S3	976.3089	NA	PeJP	NA	NA
+PJ110839	TCCCCKMW 	C38H60N10O10S5	976.3098	NA	PeJP	NA	NA
+PJ110840	CCCNNHHF 	C38H52N14O11S3	976.3103	NA	PeJP	NA	NA
+PJ110841	SSSSSSSCDM 	C33H56N10O20S2	976.3114	NA	PeJP	NA	NA
+PJ110842	SPCDDDYY 	C41H52N8O18S	976.3121	NA	PeJP	NA	NA
+PJ110843	SSSSCNMMM 	C34H60N10O15S4	976.3123	NA	PeJP	NA	NA
+PJ110844	ASCCNNNDH 	C34H52N14O16S2	976.3127	NA	PeJP	NA	NA
+PJ110845	CCNDDDHR 	C34H52N14O16S2	976.3128	NA	PeJP	NA	NA
+PJ110846	CDEMMYW 	C42H56N8O13S3	976.3129	NA	PeJP	NA	NA
+PJ110847	CCCQKMMM 	C35H64N10O10S6	976.3132	NA	PeJP	NA	NA
+PJ110848	GSCCCCKHH 	C35H56N14O11S4	976.3136	NA	PeJP	NA	NA
+PJ110849	PDDDEEEE 	C37H52N8O23	976.3146	NA	PeJP	NA	NA
+PJ110850	SSDDEMMY 	C38H56N8O18S2	976.3154	NA	PeJP	NA	NA
+PJ110851	SPCDMMMY 	C39H60N8O13S4	976.3163	NA	PeJP	NA	NA
+PJ110852	GCNDDMHW 	C39H52N12O14S2	976.3168	NA	PeJP	NA	NA
+PJ110853	GCCCCFRW 	C40H56N12O9S4	976.3177	NA	PeJP	NA	NA
+PJ110854	GSSNDDDMH 	C35H52N12O19S	976.3193	NA	PeJP	NA	NA
+PJ110855	SSEMMMMM 	C36H64N8O13S5	976.3197	NA	PeJP	NA	NA
+PJ110856	SCCCNERY 	C36H56N12O14S3	976.3201	NA	PeJP	NA	NA
+PJ110857	GGSCCCERY 	C36H56N12O14S3	976.3202	NA	PeJP	NA	NA
+PJ110858	GCMMMMHH 	C37H60N12O9S5	976.321	NA	PeJP	NA	NA
+PJ110859	TCCCHHHH 	C37H52N16O10S3	976.3215	NA	PeJP	NA	NA
+PJ110860	GCNNDEYY 	C40H52N10O17S	976.3233	NA	PeJP	NA	NA
+PJ110861	SSSTCCCMR 	C33H60N12O14S4	976.3235	NA	PeJP	NA	NA
+PJ110862	GSCCQMYW 	C41H56N10O12S3	976.3242	NA	PeJP	NA	NA
+PJ110863	CCCCKMMR 	C34H64N12O9S6	976.3244	NA	PeJP	NA	NA
+PJ110864	GSPNDDDEE 	C36H52N10O22	976.3258	NA	PeJP	NA	NA
+PJ110865	GSSSCNEMY 	C37H56N10O17S2	976.3267	NA	PeJP	NA	NA
+PJ110866	SDDDDHHH 	C37H48N14O18	976.3272	NA	PeJP	NA	NA
+PJ110867	CDDEFYW 	C45H52N8O15S	976.3273	NA	PeJP	NA	NA
+PJ110868	GCNQMMMY 	C38H60N10O12S4	976.3275	NA	PeJP	NA	NA
+PJ110869	GGGACCCLMY 	C38H60N10O12S4	976.3276	NA	PeJP	NA	NA
+PJ110870	SCCNNNHW 	C38H52N14O13S2	976.328	NA	PeJP	NA	NA
+PJ110871	GSDDEEYY 	C41H52N8O20	976.3298	NA	PeJP	NA	NA
+PJ110872	GSSSSSTCMM 	C34H60N10O17S3	976.33	NA	PeJP	NA	NA
+PJ110873	SSSCNNNDH 	C34H52N14O18S	976.3305	NA	PeJP	NA	NA
+PJ110874	GPCDEMYY 	C42H56N8O15S2	976.3307	NA	PeJP	NA	NA
+PJ110875	GSSCCKMMM 	C35H64N10O12S5	976.3309	NA	PeJP	NA	NA
+PJ110876	GSPCCCDHR 	C35H56N14O13S3	976.3314	NA	PeJP	NA	NA
+PJ110877	CEMMMFW 	C43H60N8O10S4	976.3316	NA	PeJP	NA	NA
+PJ110878	CCNEHWW 	C43H52N12O11S2	976.332	NA	PeJP	NA	NA
+PJ110879	GSEEMMMY 	C39H60N8O15S3	976.3341	NA	PeJP	NA	NA
+PJ110880	SSCNDEHW 	C39H52N12O16S	976.3345	NA	PeJP	NA	NA
+PJ110881	GGGGPCNDDW 	C39H52N12O16S	976.3346	NA	PeJP	NA	NA
+PJ110882	APCMMMMY 	C40H64N8O10S5	976.3349	NA	PeJP	NA	NA
+PJ110883	GSCCCRYW 	C40H56N12O11S3	976.3354	NA	PeJP	NA	NA
+PJ110884	SSSSNDDEH 	C35H52N12O21	976.337	NA	PeJP	NA	NA
+PJ110885	GGGGNNDEEE 	C35H52N12O21	976.3371	NA	PeJP	NA	NA
+PJ110886	GSSSCCDRY 	C36H56N12O16S2	976.3379	NA	PeJP	NA	NA
+PJ110887	ATMMMMMM 	C37H68N8O10S6	976.3383	NA	PeJP	NA	NA
+PJ110888	CNNDYYW 	C44H52N10O14S	976.3385	NA	PeJP	NA	NA
+PJ110889	GGCNDYYW 	C44H52N10O14S	976.3386	NA	PeJP	NA	NA
+PJ110890	GCCNMMRY 	C37H60N12O11S4	976.3388	NA	PeJP	NA	NA
+PJ110891	ACCCHFFF 	C45H56N10O9S3	976.3394	NA	PeJP	NA	NA
+PJ110892	SSNNDDYY 	C40H52N10O19	976.341	NA	PeJP	NA	NA
+PJ110893	SPNDDDEW 	C40H52N10O19	976.3411	NA	PeJP	NA	NA
+PJ110894	GCNNNNNNN 	C33H52N16O17S	976.3417	NA	PeJP	NA	NA
+PJ110895	GGGGGCNNNNN 	C33H52N16O17S	976.3418	NA	PeJP	NA	NA
+PJ110896	SSSCNMYW 	C41H56N10O14S2	976.3419	NA	PeJP	NA	NA
+PJ110897	CCCNNQHR 	C34H56N16O12S3	976.3426	NA	PeJP	NA	NA
+PJ110898	GCCCKMFW 	C42H60N10O9S4	976.3428	NA	PeJP	NA	NA
+PJ110899	SSSSSNDMY 	C37H56N10O19S	976.3444	NA	PeJP	NA	NA
+PJ110900	GGGGPDEEEM 	C37H56N10O19S	976.3445	NA	PeJP	NA	NA
+PJ110901	SDDEYYW 	C45H52N8O17	976.3451	NA	PeJP	NA	NA
+PJ110902	SSNNMMMY 	C38H60N10O14S3	976.3453	NA	PeJP	NA	NA
+PJ110903	CNNNNDHF 	C38H52N14O15S	976.3458	NA	PeJP	NA	NA
+PJ110904	PCDMYYW 	C46H56N8O12S2	976.3459	NA	PeJP	NA	NA
+PJ110905	PPCMMMMH 	C39H64N10O9S5	976.3462	NA	PeJP	NA	NA
+PJ110906	GCCHWWW 	C47H52N12O8S2	976.3473	NA	PeJP	NA	NA
+PJ110907	SSSSSSSSMM 	C34H60N10O19S2	976.3478	NA	PeJP	NA	NA
+PJ110908	NNNDDDDR 	C34H52N14O20	976.3483	NA	PeJP	NA	NA
+PJ110909	NEEEMYY 	C42H56N8O17S	976.3484	NA	PeJP	NA	NA
+PJ110910	GGEEEMYY 	C42H56N8O17S	976.3485	NA	PeJP	NA	NA
+PJ110911	SSSTCCKMM 	C35H64N10O14S4	976.3487	NA	PeJP	NA	NA
+PJ110912	SCNDDMHR 	C35H56N14O15S2	976.3491	NA	PeJP	NA	NA
+PJ110913	GGSCDDMHR 	C35H56N14O15S2	976.3492	NA	PeJP	NA	NA
+PJ110914	SEMMMYW 	C43H60N8O12S3	976.3493	NA	PeJP	NA	NA
+PJ110915	CCCKKMMM 	C36H68N10O9S6	976.3495	NA	PeJP	NA	NA
+PJ110916	GSSCDHWW 	C43H52N12O13S	976.3498	NA	PeJP	NA	NA
+PJ110917	ACCCCRRY 	C36H60N14O10S4	976.35	NA	PeJP	NA	NA
+PJ110918	SPEEEEEE 	C38H56N8O22	976.351	NA	PeJP	NA	NA
+PJ110919	SSTEEMMY 	C39H60N8O17S2	976.3518	NA	PeJP	NA	NA
+PJ110920	GSSSSDDHW 	C39H52N12O18	976.3523	NA	PeJP	NA	NA
+PJ110921	AAEMMMMY 	C40H64N8O12S4	976.3527	NA	PeJP	NA	NA
+PJ110922	GSNDMMHW 	C40H56N12O13S2	976.3532	NA	PeJP	NA	NA
+PJ110923	GCCHHHHF 	C41H52N16O9S2	976.3545	NA	PeJP	NA	NA
+PJ110924	PNDDDDMR 	C36H56N12O18S	976.3557	NA	PeJP	NA	NA
+PJ110925	TTTMMMMM 	C37H68N8O12S5	976.3561	NA	PeJP	NA	NA
+PJ110926	GSPDDDWW 	C44H52N10O16	976.3563	NA	PeJP	NA	NA
+PJ110927	SSCCQMRY 	C37H60N12O13S3	976.3565	NA	PeJP	NA	NA
+PJ110928	AAAAACCEMH 	C37H60N12O13S3	976.3566	NA	PeJP	NA	NA
+PJ110929	SCNNEHHH 	C37H52N16O14S	976.357	NA	PeJP	NA	NA
+PJ110930	GPPCCEWW 	C45H56N10O11S2	976.3572	NA	PeJP	NA	NA
+PJ110931	GSSSSTCYW 	C41H56N10O16S	976.3597	NA	PeJP	NA	NA
+PJ110932	GSSCCNNHR 	C34H56N16O14S2	976.3604	NA	PeJP	NA	NA
+PJ110933	GSCCKMYW 	C42H60N10O11S3	976.3605	NA	PeJP	NA	NA
+PJ110934	ATCCCKYW 	C42H60N10O11S3	976.3606	NA	PeJP	NA	NA
+PJ110935	DDMHHHW 	C42H52N14O12S	976.361	NA	PeJP	NA	NA
+PJ110936	PCCCCHRR 	C35H60N16O9S4	976.3613	NA	PeJP	NA	NA
+PJ110937	GSSSSSSSEY 	C37H56N10O21	976.3622	NA	PeJP	NA	NA
+PJ110938	GSSSSQMMY 	C38H60N10O16S2	976.363	NA	PeJP	NA	NA
+PJ110939	GGASSSSMMY 	C38H60N10O16S2	976.3631	NA	PeJP	NA	NA
+PJ110940	SNNNNNDW 	C38H52N14O17	976.3635	NA	PeJP	NA	NA
+PJ110941	GGGGGGGGSNDW 	C38H52N14O17	976.3636	NA	PeJP	NA	NA
+PJ110942	GEEMYYW 	C46H56N8O14S	976.3637	NA	PeJP	NA	NA
+PJ110943	DMMMMRY 	C39H64N10O11S4	976.3639	NA	PeJP	NA	NA
+PJ110944	GSCCEHRW 	C39H56N14O12S2	976.3644	NA	PeJP	NA	NA
+PJ110945	PCMMFYW 	C47H60N8O9S3	976.3646	NA	PeJP	NA	NA
+PJ110946	GSTEEEYY 	C42H56N8O19	976.3662	NA	PeJP	NA	NA
+PJ110947	GSSSCDEHR 	C35H56N14O17S	976.3669	NA	PeJP	NA	NA
+PJ110948	GSPEMMYY 	C43H60N8O14S2	976.3671	NA	PeJP	NA	NA
+PJ110949	NNNDEWW 	C43H52N12O15	976.3675	NA	PeJP	NA	NA
+PJ110950	GGNNDEWW 	C43H52N12O15	976.3676	NA	PeJP	NA	NA
+PJ110951	SSCCCRRY 	C36H60N14O12S3	976.3678	NA	PeJP	NA	NA
+PJ110952	CLMMMYW 	C44H64N8O9S4	976.3679	NA	PeJP	NA	NA
+PJ110953	APCMMMFF 	C44H64N8O9S4	976.368	NA	PeJP	NA	NA
+PJ110954	SCQMHWW 	C44H56N12O10S2	976.3684	NA	PeJP	NA	NA
+PJ110955	PVDEEEEM 	C39H60N8O19S	976.3696	NA	PeJP	NA	NA
+PJ110956	ATTEMMMY 	C40H64N8O14S3	976.3704	NA	PeJP	NA	NA
+PJ110957	GPCDDERW 	C40H56N12O15S	976.3709	NA	PeJP	NA	NA
+PJ110958	GGGGGGGPPCDF 	C40H56N12O15S	976.371	NA	PeJP	NA	NA
+PJ110959	GVMMMMMF 	C41H68N8O9S5	976.3713	NA	PeJP	NA	NA
+PJ110960	NQMMMHW 	C41H60N12O10S3	976.3718	NA	PeJP	NA	NA
+PJ110961	GSCNHHHW 	C41H52N16O11S	976.3723	NA	PeJP	NA	NA
+PJ110962	PPCCWWW 	C49H56N10O8S2	976.3724	NA	PeJP	NA	NA
+PJ110963	GNDEEEER 	C36H56N12O20	976.3734	NA	PeJP	NA	NA
+PJ110964	GGGGGGGATEEE 	C36H56N12O20	976.3735	NA	PeJP	NA	NA
+PJ110965	GSSSSCMRY 	C37H60N12O15S2	976.3743	NA	PeJP	NA	NA
+PJ110966	GSSSNDHHH 	C37H52N16O16	976.3748	NA	PeJP	NA	NA
+PJ110967	PNDEMWW 	C45H56N10O13S	976.3749	NA	PeJP	NA	NA
+PJ110968	AAPCDEWW 	C45H56N10O13S	976.375	NA	PeJP	NA	NA
+PJ110969	ACCCKMRY 	C38H64N12O10S4	976.3752	NA	PeJP	NA	NA
+PJ110970	GNNMMHHH 	C38H56N16O11S2	976.3756	NA	PeJP	NA	NA
+PJ110971	GGGGGMMHHH 	C38H56N16O11S2	976.3757	NA	PeJP	NA	NA
+PJ110972	SSSSSSSYW 	C41H56N10O18	976.3774	NA	PeJP	NA	NA
+PJ110973	GAQEEEEW 	C41H56N10O18	976.3775	NA	PeJP	NA	NA
+PJ110974	CNNNNNER 	C34H56N16O16S	976.3781	NA	PeJP	NA	NA
+PJ110975	GGGGGGCNNER 	C34H56N16O16S	976.3782	NA	PeJP	NA	NA
+PJ110976	SSTCCKYW 	C42H60N10O13S2	976.3783	NA	PeJP	NA	NA
+HMDB02398	Crocin	C44H64O24	976.37872	http://www.hmdb.ca/metabolites/HMDB02398	HMDB	NA	NA
+HMDB02398	Crocin	C44H64O24	976.37872	HMDB02398	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02398	Crocin	C44H64O24	976.378723	NA	HMDB2010	NA	NA
+MJ099014	Crocetin, [?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl] diester 	C44H64O24	976.378752	NA	MeJP	NA	NA
+MJ099015	Jasuroside B; 10-Hydroxy, 9-deacyl 	C44H64O24	976.378752	NA	MeJP	NA	NA
+MJ099016	Sambacoside A; 10''-Deacyl 	C44H64O24	976.378752	NA	MeJP	NA	NA
+MJ099017	Sambacoside A; 5''-Deacyl 	C44H64O24	976.378752	NA	MeJP	NA	NA
+MJ099018	Sambacoside A; 7''-Deacyl 	C44H64O24	976.378752	NA	MeJP	NA	NA
+MJ099019	Sambacoside A; 8''-Epimer, 5''-deacyl 	C44H64O24	976.378752	NA	MeJP	NA	NA
+C08589	Crocin	C44H64O24	976.3788	NA	KEGG	NA	NA
+PJ110977	GPNDDHHW 	C42H52N14O14	976.3788	NA	PeJP	NA	NA
+PJ110978	EMYYWW 	C50H56N8O11S	976.379	NA	PeJP	NA	NA
+PJ110979	SCCHRWW 	C43H56N14O9S2	976.3796	NA	PeJP	NA	NA
+PJ110980	PPCCHHHF 	C43H56N14O9S2	976.3797	NA	PeJP	NA	NA
+PJ110981	SSSSSTQMY 	C38H60N10O18S	976.3808	NA	PeJP	NA	NA
+PJ110982	STEEYYW 	C46H56N8O16	976.3814	NA	PeJP	NA	NA
+PJ110983	TTDEYYW 	C46H56N8O16	976.3815	NA	PeJP	NA	NA
+PJ110984	SSCQKMMY 	C39H64N10O13S3	976.3817	NA	PeJP	NA	NA
+PJ110985	GNNNNQMW 	C39H56N14O14S	976.3821	NA	PeJP	NA	NA
+PJ110986	SSSCDHRW 	C39H56N14O14S	976.3822	NA	PeJP	NA	NA
+PJ110987	SPMMYYW 	C47H60N8O11S2	976.3823	NA	PeJP	NA	NA
+PJ110988	MMMMMFR 	C40H68N10O8S5	976.3826	NA	PeJP	NA	NA
+PJ110989	GNNDWWW 	C47H52N12O12	976.3828	NA	PeJP	NA	NA
+PJ110990	CNMMHRW 	C40H60N14O9S3	976.383	NA	PeJP	NA	NA
+PJ110991	GSSSSSSNQH 	C35H56N14O19	976.3846	NA	PeJP	NA	NA
+PJ110992	GDDDDERR 	C35H56N14O19	976.3847	NA	PeJP	NA	NA
+PJ110993	DKEEMYY 	C43H60N8O16S	976.3848	NA	PeJP	NA	NA
+PJ110994	SSNDMMHR 	C36H60N14O14S2	976.3855	NA	PeJP	NA	NA
+PJ110995	GGGGGGPCEMR 	C36H60N14O14S2	976.3856	NA	PeJP	NA	NA
+PJ110996	AAPMMMYY 	C44H64N8O11S3	976.3857	NA	PeJP	NA	NA
+PJ110997	NNNNNNHH 	C36H52N18O15	976.386	NA	PeJP	NA	NA
+PJ110998	PCDDRWW 	C44H56N12O12S	976.3862	NA	PeJP	NA	NA
+PJ110999	PCCCKMHR 	C37H64N14O9S4	976.3864	NA	PeJP	NA	NA
+PJ111000	GCCQHHHR 	C37H56N18O10S2	976.3869	NA	PeJP	NA	NA
+PJ111001	ALEEEEEE 	C39H60N8O21	976.3873	NA	PeJP	NA	NA
+PJ111002	VVDEEEEE 	C39H60N8O21	976.3874	NA	PeJP	NA	NA
+PJ111003	TTTTEMMY 	C40H64N8O16S2	976.3882	NA	PeJP	NA	NA
+PJ111004	NDEEERW 	C40H56N12O17	976.3887	NA	PeJP	NA	NA
+PJ111005	GTLMMMMY 	C41H68N8O11S4	976.3891	NA	PeJP	NA	NA
+PJ111006	SPPCCERW 	C41H60N12O12S2	976.3895	NA	PeJP	NA	NA
+PJ111007	PPTCCDRW 	C41H60N12O12S2	976.3896	NA	PeJP	NA	NA
+PJ111008	GNNDHHHF 	C41H52N16O13	976.39	NA	PeJP	NA	NA
+PJ111009	GPDMWWW 	C49H56N10O10S	976.3902	NA	PeJP	NA	NA
+PJ111010	SSSSSTCRY 	C37H60N12O17S	976.392	NA	PeJP	NA	NA
+PJ111011	SPNDEEMR 	C37H60N12O17S	976.3921	NA	PeJP	NA	NA
+PJ111012	AQEEEWW 	C45H56N10O15	976.3927	NA	PeJP	NA	NA
+PJ111013	SSCCKMRY 	C38H64N12O12S3	976.3929	NA	PeJP	NA	NA
+PJ111014	GCNNNNRW 	C38H56N16O13S	976.3934	NA	PeJP	NA	NA
+PJ111015	GPPTCMWW 	C46H60N10O10S2	976.3936	NA	PeJP	NA	NA
+MJ099020	Chromocyclomycin 	C48H64O21	976.394009	NA	MeJP	NA	NA
+PJ111016	GSSNNNNDR 	C34H56N16O18	976.3959	NA	PeJP	NA	NA
+PJ111017	GPTQEEMW 	C42H60N10O15S	976.3961	NA	PeJP	NA	NA
+PJ111018	GPEYYYW 	C50H56N8O13	976.3967	NA	PeJP	NA	NA
+PJ111019	SSCCEHRR 	C35H60N16O13S2	976.3968	NA	PeJP	NA	NA
+PJ111020	LEMMMHW 	C43H64N10O10S3	976.3969	NA	PeJP	NA	NA
+PJ111021	GGAPPMMMW 	C43H64N10O10S3	976.397	NA	PeJP	NA	NA
+PJ111022	CNDHFRW 	C43H56N14O11S	976.3974	NA	PeJP	NA	NA
+PJ111023	PCMFFFW 	C51H60N8O8S2	976.3976	NA	PeJP	NA	NA
+PJ111024	ASSSSSSTTY 	C38H60N10O20	976.3985	NA	PeJP	NA	NA
+PJ111025	GSSSSSTTTY 	C38H60N10O20	976.3986	NA	PeJP	NA	NA
+PJ111026	GSSSSKMMY 	C39H64N10O15S2	976.3994	NA	PeJP	NA	NA
+PJ111027	GGPVQEEMM 	C39H64N10O15S2	976.3995	NA	PeJP	NA	NA
+PJ111028	DDDDRRW 	C39H56N14O16	976.3999	NA	PeJP	NA	NA
+PJ111029	GGGGGGGGGGGAPY 	C39H56N14O16	976.4	NA	PeJP	NA	NA
+MJ099021	N-[[4-(Sulfooxy)phenyl]acetyl]norleucylglycyltryptophylnorleucyl-N-methyl-?-aspartylphenylalaninamide 	C47H60N8O13S	976.400054	NA	MeJP	NA	NA
+PJ111030	SVEMYYW 	C47H60N8O13S	976.4001	NA	PeJP	NA	NA
+PJ111031	ACCKKMMY 	C40H68N10O10S4	976.4003	NA	PeJP	NA	NA
+PJ111032	GSTCMHRW 	C40H60N14O11S2	976.4008	NA	PeJP	NA	NA
+PJ111033	CLMMFFW 	C48H64N8O8S3	976.401	NA	PeJP	NA	NA
+PJ111034	GSEHHHHH 	C40H52N18O12	976.4013	NA	PeJP	NA	NA
+PJ111035	GNMHFWW 	C48H56N12O9S	976.4014	NA	PeJP	NA	NA
+PJ111036	SSSLEEYY 	C43H60N8O18	976.4026	NA	PeJP	NA	NA
+PJ111037	SPCDDERR 	C36H60N14O16S	976.4033	NA	PeJP	NA	NA
+PJ111038	LQEMMYY 	C44H64N8O13S2	976.4035	NA	PeJP	NA	NA
+PJ111039	GDEERWW 	C44H56N12O14	976.4039	NA	PeJP	NA	NA
+PJ111040	GGGGGATEWW 	C44H56N12O14	976.404	NA	PeJP	NA	NA
+PJ111041	PPCCDMRR 	C37H64N14O11S3	976.4042	NA	PeJP	NA	NA
+PJ111042	SSCNHHHR 	C37H56N18O12S	976.4046	NA	PeJP	NA	NA
+PJ111043	SCKMHWW 	C45H60N12O9S2	976.4048	NA	PeJP	NA	NA
+PJ111044	PTLEEEEM 	C40H64N8O18S	976.406	NA	PeJP	NA	NA
+MJ099022	RA-V; 1''S-Acetoxy, 5''-O-?-D-glucopyranoside 	C48H60N6O16	976.406579	NA	MeJP	NA	NA
+MJ099023	RA-X; 5''-De-O-Me, 5''-O-?-D-glucopyranoside 	C48H60N6O16	976.406579	NA	MeJP	NA	NA
+PJ111045	STTLMMMY 	C41H68N8O13S3	976.4068	NA	PeJP	NA	NA
+PJ111046	GSPDEMRW 	C41H60N12O14S	976.4073	NA	PeJP	NA	NA
+PJ111047	GNQFYYW 	C49H56N10O12	976.4079	NA	PeJP	NA	NA
+PJ111048	AAEEWWW 	C49H56N10O12	976.408	NA	PeJP	NA	NA
+PJ111049	GPPCMMRW 	C42H64N12O9S3	976.4082	NA	PeJP	NA	NA
+PJ111050	GTQEEEER 	C37H60N12O19	976.4098	NA	PeJP	NA	NA
+PJ111051	GPQEEMMR 	C38H64N12O14S2	976.4107	NA	PeJP	NA	NA
+PJ111052	GSSSTQHHH 	C38H56N16O15	976.4111	NA	PeJP	NA	NA
+PJ111053	SPNDDHHR 	C38H56N16O15	976.4112	NA	PeJP	NA	NA
+PJ111054	PTQEMWW 	C46H60N10O12S	976.4113	NA	PeJP	NA	NA
+PJ111055	PCCKKMMH 	C39H68N12O9S4	976.4116	NA	PeJP	NA	NA
+PJ111056	PYYYWW 	C54H56N8O10	976.412	NA	PeJP	NA	NA
+PJ111057	QKEEEEW 	C42H60N10O17	976.4138	NA	PeJP	NA	NA
+PJ111058	GGGGPVEEEF 	C42H60N10O17	976.4139	NA	PeJP	NA	NA
+PJ111059	GNNDDMRR 	C35H60N16O15S	976.4145	NA	PeJP	NA	NA
+PJ111060	GGGGGGGGGGTMR 	C35H60N16O15S	976.4146	NA	PeJP	NA	NA
+PJ111061	GPVQEMMW 	C43H64N10O12S2	976.4147	NA	PeJP	NA	NA
+PJ111062	SNNDRWW 	C43H56N14O13	976.4152	NA	PeJP	NA	NA
+PJ111063	APMFYYW 	C51H60N8O10S	976.4153	NA	PeJP	NA	NA
+PJ111064	VCEFFFW 	C51H60N8O10S	976.4154	NA	PeJP	NA	NA
+PJ111065	VMMHHHW 	C44H60N14O8S2	976.416	NA	PeJP	NA	NA
+PJ111066	SHHHHHW 	C44H52N18O9	976.4165	NA	PeJP	NA	NA
+PJ111067	SSSSSTKMY 	C39H64N10O17S	976.4172	NA	PeJP	NA	NA
+PJ111068	PDKEYYY 	C47H60N8O15	976.4178	NA	PeJP	NA	NA
+PJ111069	GGLEEFYY 	C47H60N8O15	976.4179	NA	PeJP	NA	NA
+PJ111070	SSCKKMMY 	C40H68N10O12S3	976.4181	NA	PeJP	NA	NA
+PJ111071	SSSSMHRW 	C40H60N14O13S	976.4185	NA	PeJP	NA	NA
+PJ111072	GGGGQEMRW 	C40H60N14O13S	976.4186	NA	PeJP	NA	NA
+PJ111073	ALMMYYW 	C48H64N8O10S2	976.4187	NA	PeJP	NA	NA
+PJ111074	DERWWW 	C48H56N12O11	976.4192	NA	PeJP	NA	NA
+PJ111075	AAMHHHHH 	C41H56N18O9S	976.4199	NA	PeJP	NA	NA
+PJ111076	ATDDDERR 	C36H60N14O18	976.421	NA	PeJP	NA	NA
+PJ111077	GSDEEERR 	C36H60N14O18	976.4211	NA	PeJP	NA	NA
+PJ111078	GTTLEMYY 	C44H64N8O15S	976.4212	NA	PeJP	NA	NA
+PJ111079	GPDDMMRR 	C37H64N14O13S2	976.4219	NA	PeJP	NA	NA
+PJ111080	AALMMMFY 	C45H68N8O10S3	976.4221	NA	PeJP	NA	NA
+PJ111081	GNNNEHHR 	C37H56N18O14	976.4224	NA	PeJP	NA	NA
+PJ111082	AQQQMWW 	C45H60N12O11S	976.4225	NA	PeJP	NA	NA
+PJ111083	SPDMRWW 	C45H60N12O11S	976.4226	NA	PeJP	NA	NA
+PJ111084	VDWWWW 	C53H56N10O9	976.4232	NA	PeJP	NA	NA
+PJ111085	GCCKHHHR 	C38H60N18O9S2	976.4233	NA	PeJP	NA	NA
+PJ111086	SLLEEEEE 	C40H64N8O20	976.4237	NA	PeJP	NA	NA
+PJ111087	PVLEEEMM 	C41H68N8O15S2	976.4246	NA	PeJP	NA	NA
+PJ111088	SSSSSSLHW 	C41H60N12O16	976.425	NA	PeJP	NA	NA
+PJ111089	TQEEERW 	C41H60N12O16	976.4251	NA	PeJP	NA	NA
+PJ111090	SCNNNNRR 	C34H60N18O14S	976.4257	NA	PeJP	NA	NA
+PJ111091	GGSCNNNRR 	C34H60N18O14S	976.4258	NA	PeJP	NA	NA
+PJ111092	PQEMMRW 	C42H64N12O11S2	976.4259	NA	PeJP	NA	NA
+PJ111093	GGGGGPKMMW 	C42H64N12O11S2	976.426	NA	PeJP	NA	NA
+PJ111094	NQQQHHW 	C42H56N16O12	976.4264	NA	PeJP	NA	NA
+PJ111095	APTMWWW 	C50H60N10O9S	976.4266	NA	PeJP	NA	NA
+PJ111096	GVQEEEMR 	C38H64N12O16S	976.4284	NA	PeJP	NA	NA
+PJ111097	GGGLEEEMR 	C38H64N12O16S	976.4285	NA	PeJP	NA	NA
+PJ111098	AKEEEWW 	C46H60N10O14	976.4291	NA	PeJP	NA	NA
+PJ111099	SPPQMMMR 	C39H68N12O11S3	976.4293	NA	PeJP	NA	NA
+PJ111100	CNNERRW 	C39H60N16O12S	976.4298	NA	PeJP	NA	NA
+PJ111101	PVQMMWW 	C47H64N10O9S2	976.43	NA	PeJP	NA	NA
+PJ111102	SPQHHWW 	C47H56N14O10	976.4304	NA	PeJP	NA	NA
+PJ111103	SSNNDERR 	C35H60N16O17	976.4323	NA	PeJP	NA	NA
+PJ111104	GSPPTTTMW 	C43H64N10O14S	976.4324	NA	PeJP	NA	NA
+PJ111105	GPTKEEMW 	C43H64N10O14S	976.4325	NA	PeJP	NA	NA
+PJ111106	SPVYYYW 	C51H60N8O12	976.4331	NA	PeJP	NA	NA
+PJ111107	GGSPCNMRR 	C36H64N16O12S2	976.4332	NA	PeJP	NA	NA
+PJ111108	GPPKMMMW 	C44H68N10O9S3	976.4333	NA	PeJP	NA	NA
+PJ111109	GNQMRWW 	C44H60N14O10S	976.4338	NA	PeJP	NA	NA
+PJ111110	GHHFFFW 	C52H56N12O8	976.4345	NA	PeJP	NA	NA
+3104	fragment of beta-amyloid protein:1-16	DAEFRHDSGYQVHHQK	976.4349	MH2+	Inhouse_peptide	NA	peptide
+PJ111111	SSSPTLQEE 	C39H64N10O19	976.4349	NA	PeJP	NA	NA
+PJ111112	GKKEEEEE 	C39H64N10O19	976.435	NA	PeJP	NA	NA
+PJ111113	PVNKEEMM 	C40H68N10O14S2	976.4358	NA	PeJP	NA	NA
+PJ111114	SDEERRW 	C40H60N14O15	976.4363	NA	PeJP	NA	NA
+PJ111115	TTLMYYW 	C48H64N8O12S	976.4365	NA	PeJP	NA	NA
+PJ111116	ALLMMMMH 	C41H72N10O9S4	976.4367	NA	PeJP	NA	NA
+PJ111117	PCEMRRW 	C41H64N14O10S2	976.4372	NA	PeJP	NA	NA
+PJ111118	NNNHHRW 	C41H56N18O11	976.4376	NA	PeJP	NA	NA
+PJ111119	GGGGNHHRW 	C41H56N18O11	976.4377	NA	PeJP	NA	NA
+PJ111120	ACKHFWW 	C49H60N12O8S	976.4378	NA	PeJP	NA	NA
+PJ111121	STTTLEYY 	C44H64N8O17	976.439	NA	PeJP	NA	NA
+PJ111122	QEEEMRR 	C37H64N14O15S	976.4397	NA	PeJP	NA	NA
+PJ111123	LKEMMYY 	C45H68N8O12S2	976.4398	NA	PeJP	NA	NA
+PJ111124	PPPLEMMY 	C45H68N8O12S2	976.4399	NA	PeJP	NA	NA
+PJ111125	ATEERWW 	C45H60N12O13	976.4403	NA	PeJP	NA	NA
+PJ111126	GGGGGGGAPPFF 	C45H60N12O13	976.4404	NA	PeJP	NA	NA
+PJ111127	SPPCMMRR 	C38H68N14O10S3	976.4405	NA	PeJP	NA	NA
+PJ111128	GACCCKKKH 	C38H68N14O10S3	976.4406	NA	PeJP	NA	NA
+PJ111129	GPCDHHRR 	C38H60N18O11S	976.441	NA	PeJP	NA	NA
+PJ111130	APMMRWW 	C46H64N12O8S2	976.4412	NA	PeJP	NA	NA
+PJ111131	VVLEEEEM 	C41H68N8O17S	976.4424	NA	PeJP	NA	NA
+PJ111132	VQEEMRW 	C42H64N12O13S	976.4437	NA	PeJP	NA	NA
+PJ111133	GTLEWWW 	C50H60N10O11	976.4443	NA	PeJP	NA	NA
+PJ111134	GGPVEFWW 	C50H60N10O11	976.4444	NA	PeJP	NA	NA
+PJ111135	GCNRRWW 	C43H60N16O9S	976.445	NA	PeJP	NA	NA
+PJ111136	GTKEEEER 	C38H64N12O18	976.4462	NA	PeJP	NA	NA
+PJ111137	GPKEEMMR 	C39H68N12O13S2	976.4471	NA	PeJP	NA	NA
+PJ111138	GSSNDRRW 	C39H60N16O14	976.4475	NA	PeJP	NA	NA
+PJ111139	GGGGGGGQQFR 	C39H60N16O14	976.4476	NA	PeJP	NA	NA
+PJ111140	PTKEMWW 	C47H64N10O11S	976.4477	NA	PeJP	NA	NA
+PJ111141	LFYYWW 	C55H60N8O9	976.4484	NA	PeJP	NA	NA
+PJ111142	KKEEEEW 	C43H64N10O16	976.4502	NA	PeJP	NA	NA
+PJ111143	DDEMRRR 	C36H64N16O14S	976.4509	NA	PeJP	NA	NA
+PJ111144	GPVKEMMW 	C44H68N10O11S2	976.4511	NA	PeJP	NA	NA
+PJ111145	SSQQRWW 	C44H60N14O12	976.4515	NA	PeJP	NA	NA
+PJ111146	GGSTQRWW 	C44H60N14O12	976.4516	NA	PeJP	NA	NA
+PJ111147	ALMFFYW 	C52H64N8O9S	976.4517	NA	PeJP	NA	NA
+PJ111148	SPKKEEEM 	C40H68N10O16S	976.4536	NA	PeJP	NA	NA
+PJ111149	VLQEYYY 	C48H64N8O14	976.4542	NA	PeJP	NA	NA
+PJ111150	TTLLMMMH 	C41H72N10O11S3	976.4545	NA	PeJP	NA	NA
+PJ111151	AEEMRRW 	C41H64N14O12S	976.4549	NA	PeJP	NA	NA
+PJ111152	GGGGGGACKKW 	C41H64N14O12S	976.455	NA	PeJP	NA	NA
+PJ111153	AALMMFFF 	C49H68N8O9S2	976.4551	NA	PeJP	NA	NA
+PJ111154	GSQKWWW 	C49H60N12O10	976.4556	NA	PeJP	NA	NA
+PJ111155	GTTEEERR 	C37H64N14O17	976.4574	NA	PeJP	NA	NA
+PJ111156	GGGGGGGSSKKE 	C37H64N14O17	976.4575	NA	PeJP	NA	NA
+PJ111157	SSTLLMYY 	C45H68N8O14S	976.4576	NA	PeJP	NA	NA
+PJ111158	GPTEMMRR 	C38H68N14O12S2	976.4583	NA	PeJP	NA	NA
+PJ111159	NEEHHRR 	C38H60N18O13	976.4588	NA	PeJP	NA	NA
+PJ111160	AVEMRWW 	C46H64N12O10S	976.4589	NA	PeJP	NA	NA
+PJ111161	GLEMRWW 	C46H64N12O10S	976.459	NA	PeJP	NA	NA
+PJ111162	TLWWWW 	C54H60N10O8	976.4596	NA	PeJP	NA	NA
+PJ111163	TKEEERW 	C42H64N12O15	976.4614	NA	PeJP	NA	NA
+PJ111164	GSTLEERW 	C42H64N12O15	976.4615	NA	PeJP	NA	NA
+PJ111165	GSCNERRR 	C35H64N18O13S	976.4621	NA	PeJP	NA	NA
+PJ111166	GGGSCERRR 	C35H64N18O13S	976.4622	NA	PeJP	NA	NA
+PJ111167	PKEMMRW 	C43H68N12O10S2	976.4623	NA	PeJP	NA	NA
+PJ111168	VNEHHRW 	C43H60N16O11	976.4628	NA	PeJP	NA	NA
+PJ111169	GVLMWWW 	C51H64N10O8S	976.463	NA	PeJP	NA	NA
+PJ111170	GVKEEEMR 	C39H68N12O15S	976.4648	NA	PeJP	NA	NA
+PJ111171	SLKEEWW 	C47H64N10O13	976.4655	NA	PeJP	NA	NA
+PJ111172	SPPKMMMR 	C40H72N12O10S3	976.4657	NA	PeJP	NA	NA
+PJ111173	SQMHRRY 	C40H64N16O11S	976.4661	NA	PeJP	NA	NA
+PJ111174	SNQMRRW 	C40H64N16O11S	976.4662	NA	PeJP	NA	NA
+PJ111175	PVKMMWW 	C48H68N10O8S2	976.4663	NA	PeJP	NA	NA
+PJ111176	SPKHHWW 	C48H60N14O9	976.4668	NA	PeJP	NA	NA
+PJ111177	SSSQQERR 	C36H64N16O16	976.4687	NA	PeJP	NA	NA
+PJ111178	AVVDKEMW 	C44H68N10O13S	976.4688	NA	PeJP	NA	NA
+PJ111179	AALKEEMW 	C44H68N10O13S	976.4689	NA	PeJP	NA	NA
+PJ111180	GLLYYYW 	C52H64N8O11	976.4695	NA	PeJP	NA	NA
+PJ111181	GGGGGVMMRR 	C37H68N16O11S2	976.4696	NA	PeJP	NA	NA
+PJ111182	GSNNHHRR 	C37H60N20O12	976.47	NA	PeJP	NA	NA
+PJ111183	GNKMRWW 	C45H64N14O9S	976.4702	NA	PeJP	NA	NA
+PJ111184	PFRWWW 	C53H60N12O7	976.4708	NA	PeJP	NA	NA
+PJ111185	TTLQKEEE 	C40H68N10O18	976.4713	NA	PeJP	NA	NA
+PJ111186	SVKKEEEE 	C40H68N10O18	976.4714	NA	PeJP	NA	NA
+PJ111187	PVDKKEMM 	C41H72N10O13S2	976.4722	NA	PeJP	NA	NA
+PJ111188	TTEERRW 	C41H64N14O14	976.4727	NA	PeJP	NA	NA
+PJ111189	PLKMYYY 	C49H68N8O11S	976.4729	NA	PeJP	NA	NA
+PJ111190	PTMMRRW 	C42H68N14O9S2	976.4736	NA	PeJP	NA	NA
+PJ111191	GEHHRRW 	C42H60N18O10	976.474	NA	PeJP	NA	NA
+PJ111192	LMRWWW 	C50H64N12O7S	976.4742	NA	PeJP	NA	NA
+PJ111193	PVVLEEEY 	C45H68N8O16	976.4754	NA	PeJP	NA	NA
+PJ111194	ASQQKEMR 	C38H68N14O14S	976.476	NA	PeJP	NA	NA
+PJ111195	KEEEMRR 	C38H68N14O14S	976.4761	NA	PeJP	NA	NA
+PJ111196	PPLLEMMF 	C46H72N8O11S2	976.4762	NA	PeJP	NA	NA
+PJ111197	STLERWW 	C46H64N12O12	976.4767	NA	PeJP	NA	NA
+PJ111198	GPVMMMRR 	C39H72N14O9S3	976.4769	NA	PeJP	NA	NA
+PJ111199	SCNRRRW 	C39H64N18O10S	976.4774	NA	PeJP	NA	NA
+PJ111200	GVHHRWW 	C47H60N16O8	976.4781	NA	PeJP	NA	NA
+PJ111201	TLLLEEEM 	C42H72N8O16S	976.4787	NA	PeJP	NA	NA
+PJ111202	PLLLEMMM 	C43H76N8O11S3	976.4796	NA	PeJP	NA	NA
+PJ111203	SSSNDRRR 	C35H64N18O15	976.4799	NA	PeJP	NA	NA
+PJ111204	VKEEMRW 	C43H68N12O12S	976.4801	NA	PeJP	NA	NA
+PJ111205	SSLLWWW 	C51H64N10O10	976.4807	NA	PeJP	NA	NA
+PJ111206	NNMMRRR 	C36H68N18O10S2	976.4808	NA	PeJP	NA	NA
+PJ111207	LMHHHFR 	C44H64N16O8S	976.4814	NA	PeJP	NA	NA
+PJ111208	SSLKEEER 	C39H68N12O17	976.4826	NA	PeJP	NA	NA
+PJ111209	PTTLQMMR 	C40H72N12O12S2	976.4834	NA	PeJP	NA	NA
+PJ111210	SPVKEMMR 	C40H72N12O12S2	976.4835	NA	PeJP	NA	NA
+PJ111211	GSSTQRRW 	C40H64N16O13	976.4839	NA	PeJP	NA	NA
+PJ111212	GGGGGGGGAKFR 	C40H64N16O13	976.484	NA	PeJP	NA	NA
+PJ111213	VVKEMWW 	C48H68N10O10S	976.4841	NA	PeJP	NA	NA
+PJ111214	ALFFFFW 	C56H64N8O8	976.4848	NA	PeJP	NA	NA
+PJ111215	ATTLKEEW 	C44H68N10O15	976.4866	NA	PeJP	NA	NA
+PJ111216	TEEMRRR 	C37H68N16O13S	976.4873	NA	PeJP	NA	NA
+PJ111217	APTLKMMW 	C45H72N10O10S2	976.4875	NA	PeJP	NA	NA
+PJ111218	SSQKRWW 	C45H64N14O11	976.4879	NA	PeJP	NA	NA
+MJ099024	12-Oleanene-3,15,16,21,22,28-hexol, 3-O-[?-L-Arabinopyranosyl-[(1?2) or (1?3)]-?-D-glucopyranosyl-[(1?3) or (1?2)]-?-D-glucopyranosiduronate] 	C47H76O21	976.487909	NA	MeJP	NA	NA
+PJ111219	AAAAANFRW 	C45H64N14O11	976.488	NA	PeJP	NA	NA
+PJ111220	PMMMRRR 	C38H72N16O8S3	976.4882	NA	PeJP	NA	NA
+PJ111221	HHRRWW 	C46H60N18O7	976.4893	NA	PeJP	NA	NA
+PJ111222	ALKKEEEM 	C41H72N10O15S	976.49	NA	PeJP	NA	NA
+PJ111223	VLKEYYY 	C49H68N8O13	976.4906	NA	PeJP	NA	NA
+PJ111224	PVLQKMMM 	C42H76N10O10S3	976.4908	NA	PeJP	NA	NA
+PJ111225	AAPVVKMMM 	C42H76N10O10S3	976.4909	NA	PeJP	NA	NA
+PJ111226	SLEMRRW 	C42H68N14O11S	976.4913	NA	PeJP	NA	NA
+PJ111227	GSKKWWW 	C50H64N12O9	976.492	NA	PeJP	NA	NA
+PJ111228	SSTLEERR 	C38H68N14O16	976.4938	NA	PeJP	NA	NA
+PJ111229	PVLLEEMF 	C46H72N8O13S	976.494	NA	PeJP	NA	NA
+PJ111230	AALEMMRR 	C39H72N14O11S2	976.4947	NA	PeJP	NA	NA
+PJ111231	NNDFRRR 	C39H64N18O12	976.4952	NA	PeJP	NA	NA
+PJ111232	SVLMRWW 	C47H68N12O9S	976.4953	NA	PeJP	NA	NA
+PJ111233	VLLLEEMM 	C43H76N8O13S2	976.4974	NA	PeJP	NA	NA
+PJ111234	SSSLLERW 	C43H68N12O14	976.4978	NA	PeJP	NA	NA
+PJ111235	GGGAAPKKEY 	C43H68N12O14	976.4979	NA	PeJP	NA	NA
+PJ111236	GSSQMRRR 	C36H68N18O12S	976.4985	NA	PeJP	NA	NA
+PJ111237	LLQMMRW 	C44H72N12O9S2	976.4987	NA	PeJP	NA	NA
+PJ111238	GQQFRRW 	C44H64N16O10	976.4992	NA	PeJP	NA	NA
+PJ111239	ATLKEEMR 	C40H72N12O14S	976.5012	NA	PeJP	NA	NA
+PJ111240	ASPLLQYW 	C48H68N10O12	976.5018	NA	PeJP	NA	NA
+PJ111241	GTTTLLWW 	C48H68N10O12	976.5019	NA	PeJP	NA	NA
+PJ111242	APLKMMMR 	C41H76N12O9S3	976.5021	NA	PeJP	NA	NA
+PJ111243	SNKMRRW 	C41H68N16O10S	976.5025	NA	PeJP	NA	NA
+PJ111244	GGSKMRRW 	C41H68N16O10S	976.5026	NA	PeJP	NA	NA
+MJ099025	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-Benzoyl, 12-Ac, 3-O-[?-D-thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H76O18	976.503165	NA	MeJP	NA	NA
+PJ111245	PPVHRWW 	C49H64N14O8	976.5032	NA	PeJP	NA	NA
+PJ111246	SSSQKERR 	C37H68N16O15	976.505	NA	PeJP	NA	NA
+PJ111247	AASSSDKRR 	C37H68N16O15	976.5051	NA	PeJP	NA	NA
+PJ111248	GTLLKEMW 	C45H72N10O12S	976.5052	NA	PeJP	NA	NA
+PJ111249	PLKFFYY 	C53H68N8O10	976.5059	NA	PeJP	NA	NA
+PJ111250	SEHHRRR 	C38H64N20O11	976.5064	NA	PeJP	NA	NA
+PJ111251	ACKKRWW 	C46H68N14O8S	976.5066	NA	PeJP	NA	NA
+PJ111252	TTLKKEEE 	C41H72N10O17	976.5077	NA	PeJP	NA	NA
+PJ111253	PTLKKEMM 	C42H76N10O12S2	976.5086	NA	PeJP	NA	NA
+PJ111254	GSSKKERW 	C42H68N14O13	976.5091	NA	PeJP	NA	NA
+PJ111255	LLKMFYY 	C50H72N8O10S	976.5092	NA	PeJP	NA	NA
+PJ111256	PPPLLMFY 	C50H72N8O10S	976.5093	NA	PeJP	NA	NA
+PJ111257	GSSCRRRR 	C35H68N20O11S	976.5098	NA	PeJP	NA	NA
+PJ111258	VVMMRRW 	C43H72N14O8S2	976.5099	NA	PeJP	NA	NA
+PJ111259	SVHHRRW 	C43H64N18O9	976.5104	NA	PeJP	NA	NA
+PJ111260	PTLLLEEY 	C46H72N8O15	976.5118	NA	PeJP	NA	NA
+PJ111261	ATTLEMRR 	C39H72N14O13S	976.5124	NA	PeJP	NA	NA
+PJ111262	GDDKKKMR 	C39H72N14O13S	976.5125	NA	PeJP	NA	NA
+PJ111263	PPLLLMMY 	C47H76N8O10S2	976.5126	NA	PeJP	NA	NA
+2607	synthetic peptide inhibitors of (PEP)	LYPFVEPI	976.513	NA	Inhouse_peptide	NA	peptide
+PJ111264	SDKKKWW 	C47H68N12O11	976.5131	NA	PeJP	NA	NA
+PJ111265	LQMHHRR 	C40H68N18O9S	976.5138	NA	PeJP	NA	NA
+PJ111266	SSSTQRRR 	C36H68N18O14	976.5163	NA	PeJP	NA	NA
+PJ111267	GTTLLMRW 	C44H72N12O11S	976.5165	NA	PeJP	NA	NA
+PJ111268	PVVKYWW 	C52H68N10O9	976.5171	NA	PeJP	NA	NA
+PJ111269	CQKMRRR 	C37H72N18O9S2	976.5172	NA	PeJP	NA	NA
+PJ111270	SPTTTTTLR 	C40H72N12O16	976.5189	NA	PeJP	NA	NA
+PJ111271	TTTLKEER 	C40H72N12O16	976.519	NA	PeJP	NA	NA
+PJ111272	GLLKEMMR 	C41H76N12O11S2	976.5198	NA	PeJP	NA	NA
+PJ111273	GGGGVLKKMM 	C41H76N12O11S2	976.5199	NA	PeJP	NA	NA
+PJ111274	GSSTKRRW 	C41H68N16O12	976.5203	NA	PeJP	NA	NA
+PJ111275	TLLKMWW 	C49H72N10O9S	976.5205	NA	PeJP	NA	NA
+PJ111276	STTLLKEW 	C45H72N10O14	976.523	NA	PeJP	NA	NA
+PJ111277	GSDKKMRR 	C38H72N16O12S	976.5237	NA	PeJP	NA	NA
+PJ111278	GVLLKMMW 	C46H76N10O9S2	976.5239	NA	PeJP	NA	NA
+MJ099026	3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one, 3-O-[?-L-Rhamnopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranoside] 	C48H80O20	976.524295	NA	MeJP	NA	NA
+MJ099027	Furostane-3,17,22,26-tetrol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H80O20	976.524295	NA	MeJP	NA	NA
+PJ111279	SSKKRWW 	C46H68N14O10	976.5243	NA	PeJP	NA	NA
+PJ111280	CLHHRRR 	C39H68N20O8S	976.525	NA	PeJP	NA	NA
+PJ111281	ASTTLLLQM 	C42H76N10O14S	976.5263	NA	PeJP	NA	NA
+PJ111282	SLLKKEEM 	C42H76N10O14S	976.5264	NA	PeJP	NA	NA
+PJ111283	PPVLLEFY 	C50H72N8O12	976.527	NA	PeJP	NA	NA
+PJ111284	PVLKKMMM 	C43H80N10O9S3	976.5272	NA	PeJP	NA	NA
+PJ111285	TQKKMRW 	C43H72N14O10S	976.5277	NA	PeJP	NA	NA
+PJ111286	GLLFRWW 	C51H68N12O8	976.5284	NA	PeJP	NA	NA
+PJ111287	TTTTLERR 	C39H72N14O15	976.5302	NA	PeJP	NA	NA
+PJ111288	PVLLLEMY 	C47H76N8O12S	976.5304	NA	PeJP	NA	NA
+PJ111289	GTLLMMRR 	C40H76N14O10S2	976.5311	NA	PeJP	NA	NA
+PJ111290	AQQRRRY 	C40H68N18O11	976.5315	NA	PeJP	NA	NA
+PJ111291	GGGGVRRRY 	C40H68N18O11	976.5316	NA	PeJP	NA	NA
+PJ111292	AKKKMWW 	C48H72N12O8S	976.5317	NA	PeJP	NA	NA
+PJ111293	STTTLLRW 	C44H72N12O13	976.5342	NA	PeJP	NA	NA
+PJ111294	GGGGGGPPPVLL 	C44H72N12O13	976.5343	NA	PeJP	NA	NA
+PJ111295	GSSKMRRR 	C37H72N18O11S	976.5349	NA	PeJP	NA	NA
+PJ111296	LLKMMRW 	C45H76N12O8S2	976.5351	NA	PeJP	NA	NA
+PJ111297	GQKFRRW 	C45H68N16O9	976.5356	NA	PeJP	NA	NA
+PJ111298	STLLKEMR 	C41H76N12O13S	976.5376	NA	PeJP	NA	NA
+PJ111299	GPTLLKYW 	C49H72N10O11	976.5382	NA	PeJP	NA	NA
+PJ111300	GGGVLLLYW 	C49H72N10O11	976.5383	NA	PeJP	NA	NA
+PJ111301	TCKKRRW 	C42H72N16O9S	976.5389	NA	PeJP	NA	NA
+PJ111302	SSSKKERR 	C38H72N16O14	976.5414	NA	PeJP	NA	NA
+PJ111303	SSLLLKMW 	C46H76N10O11S	976.5416	NA	PeJP	NA	NA
+PJ111304	LLKFFFY 	C54H72N8O9	976.5423	NA	PeJP	NA	NA
+PJ111305	GNRRRRY 	C39H68N20O10	976.5428	NA	PeJP	NA	NA
+PJ111306	SSSTLLLKE 	C42H76N10O16	976.5441	NA	PeJP	NA	NA
+PJ111307	VVLKKEMM 	C43H80N10O11S2	976.545	NA	PeJP	NA	NA
+PJ111308	SPTTLFRR 	C43H72N14O12	976.5454	NA	PeJP	NA	NA
+PJ111309	GTTTKKRW 	C43H72N14O12	976.5455	NA	PeJP	NA	NA
+MJ099028	Cyclolinopeptide E 	C51H76N8O9S	976.545596	NA	MeJP	NA	NA
+PJ111310	PPLLLMFF 	C51H76N8O9S	976.5456	NA	PeJP	NA	NA
+PJ111311	PKHHFRR 	C44H68N18O8	976.5468	NA	PeJP	NA	NA
+MJ099029	Antibiotic A 83586C 	C47H76N8O14	976.548099	NA	MeJP	NA	NA
+PJ111312	VVLLLEEY 	C47H76N8O14	976.5481	NA	PeJP	NA	NA
+PJ111313	STTLLMRR 	C40H76N14O12S	976.5488	NA	PeJP	NA	NA
+PJ111314	PLLLLMMF 	C48H80N8O9S2	976.549	NA	PeJP	NA	NA
+PJ111315	TTKKKWW 	C48H72N12O10	976.5495	NA	PeJP	NA	NA
+PJ111316	LKMHHRR 	C41H72N18O8S	976.5502	NA	PeJP	NA	NA
+PJ111317	LLLLLMMM 	C45H84N8O9S3	976.5524	NA	PeJP	NA	NA
+PJ111318	SSSTKRRR 	C37H72N18O13	976.5527	NA	PeJP	NA	NA
+PJ111319	KKKKEMW 	C45H76N12O10S	976.5529	NA	PeJP	NA	NA
+PJ111320	VVLKFWW 	C53H72N10O8	976.5535	NA	PeJP	NA	NA
+PJ111321	SSSTTLLLR 	C41H76N12O15	976.5553	NA	PeJP	NA	NA
+PJ111322	GSSTLKKKE 	C41H76N12O15	976.5554	NA	PeJP	NA	NA
+PJ111323	SVLLKMMR 	C42H80N12O10S2	976.5562	NA	PeJP	NA	NA
+PJ111324	VVERRRY 	C42H72N16O11	976.5567	NA	PeJP	NA	NA
+PJ111325	SPLLKKEY 	C46H76N10O13	976.5594	NA	PeJP	NA	NA
+PJ111326	GTTKKMRR 	C39H76N16O11S	976.5601	NA	PeJP	NA	NA
+PJ111327	ALLRRYW 	C47H72N14O9	976.5607	NA	PeJP	NA	NA
+PJ111328	GTTTLLLKM 	C43H80N10O13S	976.5627	NA	PeJP	NA	NA
+PJ111329	PPVLLLYY 	C51H76N8O11	976.5634	NA	PeJP	NA	NA
+PJ111330	TKKKMRW 	C44H76N14O9S	976.5641	NA	PeJP	NA	NA
+PJ111331	STTKKKER 	C40H76N14O14	976.5666	NA	PeJP	NA	NA
+PJ111332	VLLLLEMF 	C48H80N8O11S	976.5668	NA	PeJP	NA	NA
+PJ111333	GVKKKMMR 	C41H80N14O9S2	976.5675	NA	PeJP	NA	NA
+PJ111334	AQKRRRY 	C41H72N18O10	976.5679	NA	PeJP	NA	NA
+PJ111335	SSTLKKKW 	C45H76N12O12	976.5706	NA	PeJP	NA	NA
+PJ111336	PLLHRRW 	C46H72N16O8	976.5719	NA	PeJP	NA	NA
+PJ111337	GKKFRRW 	C46H72N16O8	976.572	NA	PeJP	NA	NA
+MJ099030	Crellastatin L 	C57H84O11S	976.573434	NA	MeJP	NA	NA
+PJ111338	SVKKKKEM 	C42H80N12O12S	976.574	NA	PeJP	NA	NA
+PJ111339	AALLLKYW 	C50H76N10O10	976.5746	NA	PeJP	NA	NA
+PJ111340	VLMFRRR 	C43H76N16O8S	976.5753	NA	PeJP	NA	NA
+PJ111341	STTTKKRR 	C39H76N16O13	976.5778	NA	PeJP	NA	NA
+PJ111342	PVVLKKMY 	C47H80N10O10S	976.578	NA	PeJP	NA	NA
+PJ111343	KKKMMRR 	C40H80N16O8S2	976.5787	NA	PeJP	NA	NA
+PJ111344	PQKHRRR 	C40H72N20O9	976.5792	NA	PeJP	NA	NA
+PJ111345	STTTTLLLK 	C43H80N10O15	976.5805	NA	PeJP	NA	NA
+PJ111346	TLLLKKMM 	C44H84N10O10S2	976.5814	NA	PeJP	NA	NA
+PJ111347	LLKERRY 	C44H76N14O11	976.5818	NA	PeJP	NA	NA
+PJ111348	GGGVLKKRY 	C44H76N14O11	976.5819	NA	PeJP	NA	NA
+MJ099031	Apramide A 	C52H80N8O8S	976.581982	NA	MeJP	NA	NA
+PJ111349	TLLLLLEY 	C48H80N8O13	976.5845	NA	PeJP	NA	NA
+PJ111350	SSLKKKMR 	C41H80N14O11S	976.5852	NA	PeJP	NA	NA
+PJ111351	VLLKRYW 	C49H76N12O9	976.5859	NA	PeJP	NA	NA
+PJ111352	GLLLKMFR 	C46H80N12O9S	976.5892	NA	PeJP	NA	NA
+PJ111353	SSSSLLKKK 	C42H80N12O14	976.5917	NA	PeJP	NA	NA
+PJ111354	ALKKKKMM 	C43H84N12O9S2	976.5926	NA	PeJP	NA	NA
+PJ111355	TLLRRRY 	C43H76N16O10	976.5931	NA	PeJP	NA	NA
+PJ111356	ALLLKKEY 	C47H80N10O12	976.5958	NA	PeJP	NA	NA
+PJ111357	PVLLLLFY 	C52H80N8O10	976.5998	NA	PeJP	NA	NA
+PJ111358	GSSSKKKKK 	C41H80N14O13	976.603	NA	PeJP	NA	NA
+PJ111359	VLLLLLMY 	C49H84N8O10S	976.6032	NA	PeJP	NA	NA
+PJ111360	AKKRRRY 	C42H76N18O9	976.6043	NA	PeJP	NA	NA
+PJ111361	ATLLLKRY 	C46H80N12O11	976.607	NA	PeJP	NA	NA
+PJ111362	TTLKKKKM 	C43H84N12O11S	976.6104	NA	PeJP	NA	NA
+PJ111363	PVVLKKFF 	C51H80N10O9	976.611	NA	PeJP	NA	NA
+PJ111364	VVLLKKMF 	C48H84N10O9S	976.6144	NA	PeJP	NA	NA
+PJ111365	PKKHRRR 	C41H76N20O8	976.6156	NA	PeJP	NA	NA
+PJ111366	AALKKKRY 	C45H80N14O10	976.6182	NA	PeJP	NA	NA
+PJ111367	SCKKKKKK 	C42H84N14O10S	976.6216	NA	PeJP	NA	NA
+PJ111368	LKKKKFW 	C50H80N12O8	976.6222	NA	PeJP	NA	NA
+PJ111369	VKKKRRY 	C44H80N16O9	976.6295	NA	PeJP	NA	NA
+PJ111370	SLLLLKKY 	C48H84N10O11	976.6321	NA	PeJP	NA	NA
+PJ111371	PPPVTLLLK 	C48H84N10O11	976.6322	NA	PeJP	NA	NA
+MJ099032	Pestahivin 	C53H84N8O9	976.636126	NA	MeJP	NA	NA
+PJ111372	VLLLLLFF 	C53H84N8O9	976.6362	NA	PeJP	NA	NA
+PJ111373	GLLKKKKY 	C47H84N12O10	976.6434	NA	PeJP	NA	NA
+PJ111374	PPLLLLRR 	C46H84N14O9	976.6546	NA	PeJP	NA	NA
+PJ111375	APPLLLLLK 	C49H88N10O10	976.6685	NA	PeJP	NA	NA
+PJ111376	LLLLLKKH 	C48H88N12O9	976.6798	NA	PeJP	NA	NA
+HMDB10547	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C65H100O6	976.752014	NA	HMDB2010	NA	NA
+HMDB10548	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C65H100O6	976.752014	NA	HMDB2010	NA	NA
+MJ099033	Archaeol; 1-O-[?-D-Galactofuranosyl-(1?6)-?-D-galactofuranoside] 	C55H108O13	976.778993	NA	MeJP	NA	NA
+MJ099034	Archaeol; 1-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C55H108O13	976.778993	NA	MeJP	NA	NA
+MJ099035	Archaeol; 1-O-[?-D-Glucopyranosyl-(1?2)-?-D-galactofuranoside] 	C55H108O13	976.778993	NA	MeJP	NA	NA
+MJ099036	Archaeol; 1-O-[?-D-Mannopyranosyl-(1?2)-?-D-glucopyranoside] 	C55H108O13	976.778993	NA	MeJP	NA	NA
+MJ099037	Archaeol; 1-O-[?-D-Mannopyranosyl-(1?3)-?-D-galactopyranoside] 	C55H108O13	976.778993	NA	MeJP	NA	NA
+3102	fragment of beta-amyloid protein:12-28	VHHQKLVFFAEDVGSNK	976.9939	MH2+	Inhouse_peptide	NA	peptide
+PJ111377	TCCCCCCCH 	C31H51N11O11S7	977.1815	NA	PeJP	NA	NA
+PJ111378	SCCCCDDDD 	C31H47N9O19S4	977.1871	NA	PeJP	NA	NA
+PJ111379	PCCCCCCDE 	C32H51N9O14S6	977.188	NA	PeJP	NA	NA
+PJ111380	GCCCCDDEM 	C32H51N9O16S5	977.2058	NA	PeJP	NA	NA
+PJ111381	GCCCCCCHF 	C35H51N11O10S6	977.2145	NA	PeJP	NA	NA
+PJ111382	SCCCCCNNE 	C31H51N11O15S5	977.217	NA	PeJP	NA	NA
+PJ111383	CCCCDDMW 	C36H51N9O13S5	977.221	NA	PeJP	NA	NA
+PJ111384	SSCCCDDDM 	C32H51N9O18S4	977.2235	NA	PeJP	NA	NA
+PJ111385	SPCCCCCEM 	C33H55N9O13S6	977.2244	NA	PeJP	NA	NA
+PJ111386	GSCCCCCNW 	C35H51N11O12S5	977.2323	NA	PeJP	NA	NA
+PJ111387	GSSSCCCCND 	C31H51N11O17S4	977.2348	NA	PeJP	NA	NA
+PJ111388	GCCCCNNMM 	C32H55N11O12S6	977.2356	NA	PeJP	NA	NA
+PJ111389	GGGGGCCCCMM 	C32H55N11O12S6	977.2357	NA	PeJP	NA	NA
+PJ111390	GPCCCCDDY 	C36H51N9O15S4	977.2388	NA	PeJP	NA	NA
+PJ111391	PPCCCCCCF 	C37H55N9O10S6	977.2397	NA	PeJP	NA	NA
+PJ111392	GSCCCDEMM 	C33H55N9O15S5	977.2422	NA	PeJP	NA	NA
+PJ111393	GPCCCCMMM 	C34H59N9O10S7	977.243	NA	PeJP	NA	NA
+PJ111394	GCCCCCCQR 	C31H55N13O11S6	977.2469	NA	PeJP	NA	NA
+PJ111395	GCCCCNNDF 	C35H51N11O14S4	977.25	NA	PeJP	NA	NA
+PJ111396	SSCCCCNQM 	C32H55N11O14S5	977.2534	NA	PeJP	NA	NA
+PJ111397	CCNDDDMY 	C36H51N9O17S3	977.2565	NA	PeJP	NA	NA
+PJ111398	GGCCDDDMY 	C36H51N9O17S3	977.2566	NA	PeJP	NA	NA
+PJ111399	SCCCDMMW 	C37H55N9O12S5	977.2574	NA	PeJP	NA	NA
+PJ111400	SSSCCDDMM 	C33H55N9O17S4	977.2599	NA	PeJP	NA	NA
+PJ111401	CCNDMMMM 	C34H59N9O12S6	977.2608	NA	PeJP	NA	NA
+PJ111402	GSCCCCEHH 	C34H51N13O13S4	977.2613	NA	PeJP	NA	NA
+PJ111403	SSCCCCCNR 	C31H55N13O13S5	977.2646	NA	PeJP	NA	NA
+PJ111404	GSCDDDDDH 	C34H47N11O21S	977.2669	NA	PeJP	NA	NA
+PJ111405	GSCCCNNDY 	C35H51N11O16S3	977.2678	NA	PeJP	NA	NA
+PJ111406	GSSSSCCCNM 	C32H55N11O16S4	977.2711	NA	PeJP	NA	NA
+PJ111407	GGGSSSSCCCM 	C32H55N11O16S4	977.2712	NA	PeJP	NA	NA
+PJ111408	GCCCDEYW 	C40H51N9O14S3	977.2718	NA	PeJP	NA	NA
+PJ111409	CCCCEMMR 	C33H59N11O11S6	977.272	NA	PeJP	NA	NA
+PJ111410	GPDDDDDDD 	C35H47N9O24	977.2735	NA	PeJP	NA	NA
+PJ111411	GSSCCDDEY 	C36H51N9O19S2	977.2743	NA	PeJP	NA	NA
+PJ111412	GSPCCCDMY 	C37H55N9O14S4	977.2752	NA	PeJP	NA	NA
+PJ111413	ACCCMMMW 	C38H59N9O9S6	977.276	NA	PeJP	NA	NA
+PJ111414	SCCCCHHW 	C38H51N13O10S4	977.2765	NA	PeJP	NA	NA
+PJ111415	GSSCCEMMM 	C34H59N9O14S5	977.2785	NA	PeJP	NA	NA
+PJ111416	SSSCCCDHH 	C34H51N13O15S3	977.279	NA	PeJP	NA	NA
+PJ111417	CCCNMMHH 	C35H55N13O10S5	977.2799	NA	PeJP	NA	NA
+PJ111418	PCCCDDHW 	C39H51N11O13S3	977.283	NA	PeJP	NA	NA
+PJ111419	GCCCCCCKR 	C32H59N13O10S6	977.2833	NA	PeJP	NA	NA
+PJ111420	CNDDDEMH 	C35H51N11O18S2	977.2855	NA	PeJP	NA	NA
+PJ111421	GGCDDDEMH 	C35H51N11O18S2	977.2856	NA	PeJP	NA	NA
+PJ111422	CCCNNQMY 	C36H55N11O13S4	977.2864	NA	PeJP	NA	NA
+PJ111423	CCCDYWW 	C44H51N9O11S3	977.2871	NA	PeJP	NA	NA
+PJ111424	SSSSSSCCCQ 	C32H55N11O18S3	977.2889	NA	PeJP	NA	NA
+PJ111425	SSCCDDYW 	C40H51N9O16S2	977.2896	NA	PeJP	NA	NA
+PJ111426	SSCCCCNKM 	C33H59N11O13S5	977.2898	NA	PeJP	NA	NA
+PJ111427	GCCCNNNNH 	C33H51N15O14S3	977.2902	NA	PeJP	NA	NA
+PJ111428	GGGCCCNNNH 	C33H51N15O14S3	977.2903	NA	PeJP	NA	NA
+PJ111429	PTCCCCYW 	C41H55N9O11S4	977.2904	NA	PeJP	NA	NA
+PJ111430	SSSSCDDDY 	C36H51N9O21S	977.292	NA	PeJP	NA	NA
+PJ111431	SPPCDDDDD 	C36H51N9O21S	977.2921	NA	PeJP	NA	NA
+FL7AAIGL0038	Malvidin 3-O-(6-O-(4-O-feruloyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-beta-glucopyranoside	C45H53O24	977.29267	303115-58-4	knapsack	NA	NA
+PJ111432	SCNDDMMY 	C37H55N9O16S3	977.2929	NA	PeJP	NA	NA
+PJ111433	SSCCMMMW 	C38H59N9O11S5	977.2938	NA	PeJP	NA	NA
+PJ111434	CCCNDHHF 	C38H51N13O12S3	977.2943	NA	PeJP	NA	NA
+MJ099038	Perdeacylwilfortrine; 2-O-(3-Furancarbonyl), 26-O-benzoyl, 1,6,8,9,14-penta-Ac 	C48H51NO21	977.295357	NA	MeJP	NA	NA
+PJ111435	SSSSCDMMM 	C34H59N9O16S4	977.2963	NA	PeJP	NA	NA
+PJ111436	CCDDDDHR 	C34H51N13O17S2	977.2968	NA	PeJP	NA	NA
+PJ111437	SCNMMMMM 	C35H63N9O11S6	977.2972	NA	PeJP	NA	NA
+PJ111438	CCCCNNRY 	C35H55N13O12S4	977.2976	NA	PeJP	NA	NA
+PJ111439	GGGPCCCNMH 	C35H55N13O12S4	977.2977	NA	PeJP	NA	NA
+PJ111440	GCDDDMHW 	C39H51N11O15S2	977.3008	NA	PeJP	NA	NA
+PJ111441	GSSDDDDMH 	C35H51N11O20S	977.3033	NA	PeJP	NA	NA
+PJ111442	SCCCDERY 	C36H55N11O15S3	977.3042	NA	PeJP	NA	NA
+PJ111443	PCCCCMRY 	C37H59N11O10S5	977.305	NA	PeJP	NA	NA
+PJ111444	CCCMFWW 	C45H55N9O8S4	977.3057	NA	PeJP	NA	NA
+PJ111445	GSSSSSSSSCC 	C32H55N11O20S2	977.3067	NA	PeJP	NA	NA
+PJ111446	GCNDDEYY 	C40H51N9O18S	977.3073	NA	PeJP	NA	NA
+PJ111447	GSSSTCCCCK 	C33H59N11O15S4	977.3075	NA	PeJP	NA	NA
+PJ111448	GSCCEMYW 	C41H55N9O13S3	977.3082	NA	PeJP	NA	NA
+PJ111449	TCCCMMMR 	C34H63N11O10S6	977.3084	NA	PeJP	NA	NA
+PJ111450	GSPDDDDEE 	C36H51N9O23	977.3098	NA	PeJP	NA	NA
+PJ111451	GSSSCDEMY 	C37H55N9O18S2	977.3107	NA	PeJP	NA	NA
+PJ111452	GCNEMMMY 	C38H59N9O13S4	977.3115	NA	PeJP	NA	NA
+PJ111453	GGGCEMMMY 	C38H59N9O13S4	977.3116	NA	PeJP	NA	NA
+PJ111454	SCCNNDHW 	C38H51N13O14S2	977.312	NA	PeJP	NA	NA
+MJ099039	Tetradecanoyl-CoA 	C35H62N7O17P3S	977.313573	NA	MeJP	NA	NA
+MetaCyc04358	myristoyl-CoA [Tetradecanoyl-CoA (n-C14:0CoA);tetradecanoyl-CoA;]	C35H62N7O17P3S1	977.313574	NA	metacyc	NA	NA
+HMDB01521	Tetradecanoyl-CoA	C35H62N7O17P3S	977.313599	NA	HMDB2010	NA	NA
+HMDB01521	Tetradecanoyl-CoA  (n-C14:0CoA)	C35H62N7O17P3S	977.3136	http://www.hmdb.ca/metabolites/HMDB01521	HMDB	NA	NA
+C02593	Tetradecanoyl-CoA	C35H62N7O17P3S	977.3136	NA	KEGG	NA	NA
+HMDB01521	Tetradecanoyl-CoA  (n-C14:0CoA)	C35H62N7O17P3S	977.3136	HMDB01521	PFEM_hmdb_metabocards_official	NA	NA
+PJ111455	SSSCNNDDH 	C34H51N13O19S	977.3145	NA	PeJP	NA	NA
+PJ111456	GSSTCMMMM 	C35H63N9O13S5	977.3149	NA	PeJP	NA	NA
+PJ111457	SSSSCCMHH 	C35H55N13O14S3	977.3154	NA	PeJP	NA	NA
+PJ111458	CCDEHWW 	C43H51N11O12S2	977.316	NA	PeJP	NA	NA
+PJ111459	SSCDDEHW 	C39H51N11O17S	977.3186	NA	PeJP	NA	NA
+PJ111460	SPCCDMHW 	C40H55N11O12S3	977.3194	NA	PeJP	NA	NA
+PJ111461	SSSSDDDEH 	C35H51N11O22	977.321	NA	PeJP	NA	NA
+PJ111462	NNNDDEEE 	C35H51N11O22	977.3211	NA	PeJP	NA	NA
+PJ111463	SSSSCCNQY 	C36H55N11O17S2	977.3219	NA	PeJP	NA	NA
+PJ111464	CNDDYYW 	C44H51N9O15S	977.3226	NA	PeJP	NA	NA
+PJ111465	GCCDMMRY 	C37H59N11O12S4	977.3228	NA	PeJP	NA	NA
+PJ111466	SCCMYWW 	C45H55N9O10S3	977.3234	NA	PeJP	NA	NA
+PJ111467	SPDDDDEW 	C40H51N9O20	977.3251	NA	PeJP	NA	NA
+PJ111468	SSSSSSCCCK 	C33H59N11O17S3	977.3253	NA	PeJP	NA	NA
+PJ111469	GCNNNNNND 	C33H51N15O18S	977.3258	NA	PeJP	NA	NA
+PJ111470	SSSCDMYW 	C41H55N9O15S2	977.3259	NA	PeJP	NA	NA
+PJ111471	PPCDDDMW 	C41H55N9O15S2	977.326	NA	PeJP	NA	NA
+PJ111472	STCCCCCKK 	C34H63N11O12S5	977.3262	NA	PeJP	NA	NA
+PJ111473	CCCNNEHR 	C34H55N15O13S3	977.3266	NA	PeJP	NA	NA
+PJ111474	GGGGCCCEHR 	C34H55N15O13S3	977.3267	NA	PeJP	NA	NA
+PJ111475	CNMMMYW 	C42H59N9O10S4	977.3268	NA	PeJP	NA	NA
+PJ111476	SSSSSDDMY 	C37H55N9O20S	977.3284	NA	PeJP	NA	NA
+PJ111477	PNDDEEEM 	C37H55N9O20S	977.3285	NA	PeJP	NA	NA
+PJ111478	SSNDMMMY 	C38H59N9O15S3	977.3293	NA	PeJP	NA	NA
+PJ111479	CNNNDDHF 	C38H51N13O16S	977.3298	NA	PeJP	NA	NA
+PJ111480	TCCYYYY 	C46H55N7O13S2	977.3299	NA	PeJP	NA	NA
+PJ111481	PCCCKMMY 	C39H63N9O10S5	977.3302	NA	PeJP	NA	NA
+PJ111482	GCCNQMHW 	C39H55N13O11S3	977.3306	NA	PeJP	NA	NA
+PJ111483	GGGCCQMHW 	C39H55N13O11S3	977.3307	NA	PeJP	NA	NA
+PJ111484	NNDDDDDR 	C34H51N13O21	977.3323	NA	PeJP	NA	NA
+PJ111485	DEEEMYY 	C42H55N7O18S	977.3325	NA	PeJP	NA	NA
+PJ111486	SSSSSMMMM 	C35H63N9O15S4	977.3327	NA	PeJP	NA	NA
+PJ111487	ASSCCNQEH 	C35H55N13O16S2	977.3331	NA	PeJP	NA	NA
+PJ111488	SCDDDMHR 	C35H55N13O16S2	977.3332	NA	PeJP	NA	NA
+PJ111489	TCCKMMMM 	C36H67N9O10S6	977.3336	NA	PeJP	NA	NA
+PJ111490	PCCCEMHR 	C36H59N13O11S4	977.334	NA	PeJP	NA	NA
+PJ111491	CCNNNHHH 	C36H51N17O12S2	977.3345	NA	PeJP	NA	NA
+PJ111492	GNNDDEEW 	C39H51N11O19	977.3363	NA	PeJP	NA	NA
+PJ111493	GSDDMMHW 	C40H55N11O14S2	977.3372	NA	PeJP	NA	NA
+PJ111494	APCCMMHW 	C41H59N11O9S4	977.3381	NA	PeJP	NA	NA
+PJ111495	GSSSSSSCNY 	C36H55N11O19S	977.3397	NA	PeJP	NA	NA
+PJ111496	SSCCEMRY 	C37H59N11O14S3	977.3405	NA	PeJP	NA	NA
+PJ111497	GGGSTCCCKY 	C37H59N11O14S3	977.3406	NA	PeJP	NA	NA
+PJ111498	SCNDEHHH 	C37H51N15O15S	977.341	NA	PeJP	NA	NA
+PJ111499	GSPCCYYW 	C45H55N9O12S2	977.3412	NA	PeJP	NA	NA
+PJ111500	GCCMMMFR 	C38H63N11O9S5	977.3414	NA	PeJP	NA	NA
+PJ111501	GCCCNHRW 	C38H55N15O10S3	977.3419	NA	PeJP	NA	NA
+PJ111502	GPDDEEMW 	C41H55N9O17S	977.3437	NA	PeJP	NA	NA
+PJ111503	GSSCCNDHR 	C34H55N15O15S2	977.3444	NA	PeJP	NA	NA
+PJ111504	GSTCMMYW 	C42H59N9O12S3	977.3446	NA	PeJP	NA	NA
+PJ111505	GQEEEEEE 	C37H55N9O22	977.3462	NA	PeJP	NA	NA
+PJ111506	GSSSSEMMY 	C38H59N9O17S2	977.3471	NA	PeJP	NA	NA
+PJ111507	SNNNNDDW 	C38H51N13O18	977.3475	NA	PeJP	NA	NA
+PJ111508	GGGGSNNDDW 	C38H51N13O18	977.3476	NA	PeJP	NA	NA
+PJ111509	GSQMMMMY 	C39H63N9O12S4	977.3479	NA	PeJP	NA	NA
+PJ111510	GPPPCDMMM 	C39H63N9O12S4	977.348	NA	PeJP	NA	NA
+PJ111511	SSCNNMHW 	C39H55N13O13S2	977.3484	NA	PeJP	NA	NA
+PJ111512	GSPCNDDDR 	C35H55N13O18S	977.3509	NA	PeJP	NA	NA
+PJ111513	GGGGGGGGGADEM 	C35H55N13O18S	977.351	NA	PeJP	NA	NA
+PJ111514	EEEMMFY 	C43H59N7O15S2	977.3511	NA	PeJP	NA	NA
+PJ111515	NNDDEWW 	C43H51N11O16	977.3516	NA	PeJP	NA	NA
+PJ111516	GCDEMMHR 	C36H59N13O13S3	977.3518	NA	PeJP	NA	NA
+PJ111517	SCEMHWW 	C44H55N11O11S2	977.3524	NA	PeJP	NA	NA
+PJ111518	SSSDEMHW 	C40H55N11O16S	977.3549	NA	PeJP	NA	NA
+PJ111519	GGGGSPDDMW 	C40H55N11O16S	977.355	NA	PeJP	NA	NA
+PJ111520	NEMMMHW 	C41H59N11O11S3	977.3558	NA	PeJP	NA	NA
+PJ111521	GSCDHHHW 	C41H51N15O12S	977.3563	NA	PeJP	NA	NA
+PJ111522	ACCFYWW 	C49H55N9O9S2	977.3564	NA	PeJP	NA	NA
+PJ111523	ADDDEEER 	C36H55N11O21	977.3574	NA	PeJP	NA	NA
+PJ111524	GDDEEEER 	C36H55N11O21	977.3575	NA	PeJP	NA	NA
+PJ111525	SSSSCCNKY 	C37H59N11O16S2	977.3583	NA	PeJP	NA	NA
+PJ111526	GSSSDDHHH 	C37H51N15O17	977.3588	NA	PeJP	NA	NA
+PJ111527	SNDMYYW 	C45H55N9O14S	977.3589	NA	PeJP	NA	NA
+PJ111528	PDDEMWW 	C45H55N9O14S	977.359	NA	PeJP	NA	NA
+PJ111529	GSCMMMRY 	C38H63N11O11S4	977.3592	NA	PeJP	NA	NA
+PJ111530	GNDMMHHH 	C38H55N15O12S2	977.3596	NA	PeJP	NA	NA
+PJ111531	GGGDMMHHH 	C38H55N15O12S2	977.3597	NA	PeJP	NA	NA
+PJ111532	CNMMFFW 	C46H59N9O9S3	977.3598	NA	PeJP	NA	NA
+PJ111533	SSSNEEYY 	C41H55N9O19	977.3614	NA	PeJP	NA	NA
+PJ111534	QEEEEEW 	C41H55N9O19	977.3615	NA	PeJP	NA	NA
+PJ111535	CNNNNDER 	C34H55N15O17S	977.3621	NA	PeJP	NA	NA
+PJ111536	GGCNNNDER 	C34H55N15O17S	977.3622	NA	PeJP	NA	NA
+PJ111537	SSSSMMYW 	C42H59N9O14S2	977.3623	NA	PeJP	NA	NA
+PJ111538	GPDDDHHW 	C42H51N13O15	977.3628	NA	PeJP	NA	NA
+PJ111539	GCFYYYY 	C50H55N7O12S	977.363	NA	PeJP	NA	NA
+PJ111540	PCCCKMFF 	C43H63N9O9S4	977.3632	NA	PeJP	NA	NA
+PJ111541	GCCQHHFF 	C43H55N13O10S2	977.3637	NA	PeJP	NA	NA
+PJ111542	SSSSSTEMY 	C38H59N9O19S	977.3648	NA	PeJP	NA	NA
+PJ111543	PDEEYYY 	C46H55N7O17	977.3655	NA	PeJP	NA	NA
+PJ111544	SSTQMMMY 	C39H63N9O14S3	977.3657	NA	PeJP	NA	NA
+PJ111545	GSSSSCQHW 	C39H55N13O15S	977.3662	NA	PeJP	NA	NA
+PJ111546	GCKMMMMF 	C40H67N9O9S5	977.3666	NA	PeJP	NA	NA
+PJ111547	GNDDWWW 	C47H51N11O13	977.3668	NA	PeJP	NA	NA
+PJ111548	CDMMHRW 	C40H59N13O10S3	977.367	NA	PeJP	NA	NA
+PJ111549	GGPPCCCRW 	C40H59N13O10S3	977.3671	NA	PeJP	NA	NA
+PJ111550	PCCHFWW 	C48H55N11O8S2	977.3677	NA	PeJP	NA	NA
+PJ111551	SNNDDEER 	C35H55N13O20	977.3687	NA	PeJP	NA	NA
+PJ111552	SSDDMMHR 	C36H59N13O15S2	977.3695	NA	PeJP	NA	NA
+PJ111553	GGPCNDEMR 	C36H59N13O15S2	977.3696	NA	PeJP	NA	NA
+PJ111554	NNNNNDHH 	C36H51N17O16	977.37	NA	PeJP	NA	NA
+PJ111555	GSPCNEWW 	C44H55N11O13S	977.3702	NA	PeJP	NA	NA
+PJ111556	PTCCMMHR 	C37H63N13O10S4	977.3704	NA	PeJP	NA	NA
+PJ111557	GCCEHHHR 	C37H55N17O11S2	977.3709	NA	PeJP	NA	NA
+PJ111558	GMMMHWW 	C45H59N11O8S3	977.3711	NA	PeJP	NA	NA
+PJ111559	DDEEERW 	C40H55N11O18	977.3727	NA	PeJP	NA	NA
+PJ111560	GSTEMMHW 	C41H59N11O13S2	977.3736	NA	PeJP	NA	NA
+PJ111561	GNDDHHHF 	C41H51N15O14	977.374	NA	PeJP	NA	NA
+PJ111562	GGGDDHHHF 	C41H51N15O14	977.3741	NA	PeJP	NA	NA
+PJ111563	GTCYYWW 	C49H55N9O11S	977.3742	NA	PeJP	NA	NA
+PJ111564	SCCCNHRR 	C34H59N17O11S3	977.3743	NA	PeJP	NA	NA
+PJ111565	CQMHHHW 	C42H55N15O9S2	977.3749	NA	PeJP	NA	NA
+PJ111566	SPDDEEMR 	C37H59N11O18S	977.3761	NA	PeJP	NA	NA
+PJ111567	AEEEEWW 	C45H55N9O16	977.3767	NA	PeJP	NA	NA
+PJ111568	SSTCMMRY 	C38H63N11O13S3	977.3769	NA	PeJP	NA	NA
+PJ111569	GGGGAPPTCMM 	C38H63N11O13S3	977.377	NA	PeJP	NA	NA
+PJ111570	GCNNNDRW 	C38H55N15O14S	977.3774	NA	PeJP	NA	NA
+PJ111571	GQMMYYW 	C46H59N9O11S2	977.3776	NA	PeJP	NA	NA
+PJ111572	GCNHHHHH 	C39H51N19O10S	977.3788	NA	PeJP	NA	NA
+PJ111573	GSSNNNDDR 	C34H55N15O19	977.3799	NA	PeJP	NA	NA
+PJ111574	GPTEEEMW 	C42H59N9O16S	977.3801	NA	PeJP	NA	NA
+PJ111575	GSYYYYY 	C50H55N7O14	977.3807	NA	PeJP	NA	NA
+PJ111576	PCCNDDRR 	C35H59N15O14S2	977.3808	NA	PeJP	NA	NA
+PJ111577	QQMMMFY 	C43H63N9O11S3	977.3809	NA	PeJP	NA	NA
+PJ111578	GPPEMMMW 	C43H63N9O11S3	977.381	NA	PeJP	NA	NA
+PJ111579	NNNNMWW 	C43H55N13O12S	977.3814	NA	PeJP	NA	NA
+PJ111580	GGGGGGGGMWW 	C43H55N13O12S	977.3815	NA	PeJP	NA	NA
+PJ111581	GKEEEEEE 	C38H59N9O21	977.3826	NA	PeJP	NA	NA
+PJ111582	GSSTTTMMY 	C39H63N9O16S2	977.3834	NA	PeJP	NA	NA
+PJ111583	PVNEEEMM 	C39H63N9O16S2	977.3835	NA	PeJP	NA	NA
+PJ111584	GSNDDERW 	C39H55N13O17	977.3839	NA	PeJP	NA	NA
+PJ111585	GGGGGGGGSTEW 	C39H55N13O17	977.384	NA	PeJP	NA	NA
+PJ111586	PEEMFYY 	C47H59N7O14S	977.3841	NA	PeJP	NA	NA
+PJ111587	GSKMMMMY 	C40H67N9O11S4	977.3843	NA	PeJP	NA	NA
+PJ111588	GPCNDMRW 	C40H59N13O12S2	977.3848	NA	PeJP	NA	NA
+PJ111589	SPCNWWW 	C48H55N11O10S	977.3854	NA	PeJP	NA	NA
+PJ111590	GGSPCWWW 	C48H55N11O10S	977.3855	NA	PeJP	NA	NA
+PJ111591	CCHHHRW 	C41H55N17O8S2	977.3861	NA	PeJP	NA	NA
+PJ111592	GNNEEEMR 	C36H59N13O17S	977.3873	NA	PeJP	NA	NA
+PJ111593	LEEMMYY 	C44H63N7O14S2	977.3875	NA	PeJP	NA	NA
+PJ111594	SNQEEWW 	C44H55N11O15	977.3879	NA	PeJP	NA	NA
+PJ111595	GGSQEEWW 	C44H55N11O15	977.388	NA	PeJP	NA	NA
+PJ111596	GSEMMMHR 	C37H63N13O12S3	977.3882	NA	PeJP	NA	NA
+PJ111597	SSCDHHHR 	C37H55N17O13S	977.3886	NA	PeJP	NA	NA
+PJ111598	STMMHWW 	C45H59N11O10S2	977.3888	NA	PeJP	NA	NA
+PJ111599	SSTTEMHW 	C41H59N11O15S	977.3913	NA	PeJP	NA	NA
+PJ111600	SSSYYWW 	C49H55N9O13	977.392	NA	PeJP	NA	NA
+PJ111601	DKMMMHW 	C42H63N11O10S3	977.3922	NA	PeJP	NA	NA
+PJ111602	GSSMHHHW 	C42H55N15O11S	977.3927	NA	PeJP	NA	NA
+PJ111603	CMHFFFF 	C50H59N9O8S2	977.3928	NA	PeJP	NA	NA
+PJ111604	GTEEEEER 	C37H59N11O20	977.3938	NA	PeJP	NA	NA
+PJ111605	GPEEEMMR 	C38H63N11O15S2	977.3947	NA	PeJP	NA	NA
+PJ111606	NNNNNNQF 	C38H55N15O16	977.3951	NA	PeJP	NA	NA
+PJ111607	SPDDDHHR 	C38H55N15O16	977.3952	NA	PeJP	NA	NA
+PJ111608	PTEEMWW 	C46H59N9O13S	977.3953	NA	PeJP	NA	NA
+PJ111609	GPPDEMFW 	C46H59N9O13S	977.3954	NA	PeJP	NA	NA
+PJ111610	CCCCKKKY 	C39H67N11O10S4	977.3956	NA	PeJP	NA	NA
+PJ111611	GCNNMHFR 	C39H59N15O11S2	977.396	NA	PeJP	NA	NA
+PJ111612	GGGGGCMHFR 	C39H59N15O11S2	977.3961	NA	PeJP	NA	NA
+PJ111613	PPMMMWW 	C47H63N9O8S3	977.3962	NA	PeJP	NA	NA
+PJ111614	KEEEEEW 	C42H59N9O18	977.3978	NA	PeJP	NA	NA
+PJ111615	GSLEEEEW 	C42H59N9O18	977.3979	NA	PeJP	NA	NA
+PJ111616	GNDDDMRR 	C35H59N15O16S	977.3985	NA	PeJP	NA	NA
+PJ111617	GGGDDDMRR 	C35H59N15O16S	977.3986	NA	PeJP	NA	NA
+PJ111618	GPVEEMMW 	C43H63N9O13S2	977.3987	NA	PeJP	NA	NA
+PJ111619	SNDDRWW 	C43H55N13O14	977.3992	NA	PeJP	NA	NA
+PJ111620	GSPPCCCRR 	C36H63N15O11S3	977.3994	NA	PeJP	NA	NA
+PJ111621	PCCQRWW 	C44H59N13O9S2	977.4001	NA	PeJP	NA	NA
+PJ111622	SSSTTTTMY 	C39H63N9O18S	977.4012	NA	PeJP	NA	NA
+PJ111623	VEEEFYY 	C47H59N7O16	977.4019	NA	PeJP	NA	NA
+PJ111624	SSTKMMMY 	C40H67N9O13S3	977.4021	NA	PeJP	NA	NA
+PJ111625	CQQEERW 	C40H59N13O14S	977.4025	NA	PeJP	NA	NA
+PJ111626	NNEEMRW 	C40H59N13O14S	977.4026	NA	PeJP	NA	NA
+MJ099040	Ferrimycin A1 	C41H65FeN10O14	977.403113	NA	MeJP	NA	NA
+PJ111627	GSQEWWW 	C48H55N11O12	977.4032	NA	PeJP	NA	NA
+PJ111628	SMMMHRW 	C41H63N13O9S3	977.4034	NA	PeJP	NA	NA
+PJ111629	PPCNHHHH 	C41H55N17O10S	977.4039	NA	PeJP	NA	NA
+PJ111630	STDDQQER 	C36H59N13O19	977.405	NA	PeJP	NA	NA
+PJ111631	SSNQEEER 	C36H59N13O19	977.4051	NA	PeJP	NA	NA
+PJ111632	SSTEMMHR 	C37H63N13O14S2	977.4059	NA	PeJP	NA	NA
+PJ111633	GGGGGGGGLQMM 	C37H63N13O14S2	977.406	NA	PeJP	NA	NA
+PJ111634	GNNDEHHR 	C37H55N17O15	977.4064	NA	PeJP	NA	NA
+PJ111635	AQQEMWW 	C45H59N11O12S	977.4066	NA	PeJP	NA	NA
+PJ111636	AAMMMMHR 	C38H67N13O9S4	977.4068	NA	PeJP	NA	NA
+PJ111637	NFYYWW 	C53H55N9O10	977.4072	NA	PeJP	NA	NA
+PJ111638	GTCMHHHR 	C38H59N17O10S2	977.4073	NA	PeJP	NA	NA
+PJ111639	TEEEERW 	C41H59N11O17	977.4091	NA	PeJP	NA	NA
+PJ111640	SCNNNDRR 	C34H59N17O15S	977.4098	NA	PeJP	NA	NA
+PJ111641	PEEMMRW 	C42H63N11O12S2	977.4099	NA	PeJP	NA	NA
+PJ111642	GPNDKMMW 	C42H63N11O12S2	977.41	NA	PeJP	NA	NA
+PJ111643	SSSTHHHW 	C42H55N15O13	977.4104	NA	PeJP	NA	NA
+PJ111644	PPDMFWW 	C50H59N9O10S	977.4106	NA	PeJP	NA	NA
+PJ111645	CKMHHHW 	C43H59N15O8S2	977.4113	NA	PeJP	NA	NA
+PJ111646	SSSSTLEMH 	C38H63N11O17S	977.4124	NA	PeJP	NA	NA
+PJ111647	GVEEEEMR 	C38H63N11O17S	977.4125	NA	PeJP	NA	NA
+PJ111648	SLEEEWW 	C46H59N9O15	977.4131	NA	PeJP	NA	NA
+PJ111649	SPPEMMMR 	C39H67N11O12S3	977.4133	NA	PeJP	NA	NA
+PJ111650	CNDERRW 	C39H59N15O13S	977.4138	NA	PeJP	NA	NA
+PJ111651	PVEMMWW 	C47H63N9O10S2	977.414	NA	PeJP	NA	NA
+PJ111652	SPEHHWW 	C47H55N13O11	977.4144	NA	PeJP	NA	NA
+PJ111653	GGGGGGHFFW 	C47H55N13O11	977.4145	NA	PeJP	NA	NA
+PJ111654	SSNDDERR 	C35H59N15O18	977.4163	NA	PeJP	NA	NA
+PJ111655	AALEEEMW 	C43H63N9O15S	977.4165	NA	PeJP	NA	NA
+PJ111656	PPEFYYY 	C51H59N7O13	977.4171	NA	PeJP	NA	NA
+PJ111657	SPCNDMRR 	C36H63N15O13S2	977.4172	NA	PeJP	NA	NA
+PJ111658	SPPVMMMW 	C44H67N9O10S3	977.4173	NA	PeJP	NA	NA
+PJ111659	GPPPVCMMF 	C44H67N9O10S3	977.4174	NA	PeJP	NA	NA
+PJ111660	GNEMRWW 	C44H59N13O11S	977.4178	NA	PeJP	NA	NA
+PJ111661	SQWWWW 	C52H55N11O9	977.4185	NA	PeJP	NA	NA
+PJ111662	SVKEEEEE 	C39H63N9O20	977.419	NA	PeJP	NA	NA
+PJ111663	PTLQEEMM 	C40H67N9O15S2	977.4198	NA	PeJP	NA	NA
+PJ111664	PVDKEEMM 	C40H67N9O15S2	977.4199	NA	PeJP	NA	NA
+PJ111665	GSSQEERW 	C40H59N13O16	977.4203	NA	PeJP	NA	NA
+PJ111666	GGGGGGGGGGLEF 	C40H59N13O16	977.4204	NA	PeJP	NA	NA
+PJ111667	PLEMYYY 	C48H63N7O13S	977.4205	NA	PeJP	NA	NA
+PJ111668	PPLQMMMM 	C41H71N9O10S4	977.4207	NA	PeJP	NA	NA
+PJ111669	GSPNMMRW 	C41H63N13O11S2	977.4212	NA	PeJP	NA	NA
+PJ111670	NNDHHRW 	C41H55N17O12	977.4217	NA	PeJP	NA	NA
+PJ111671	AAQMWWW 	C49H59N11O9S	977.4218	NA	PeJP	NA	NA
+PJ111672	HHHHHHH 	C42H51N21O8	977.423	NA	PeJP	NA	NA
+PJ111673	EEEEMRR 	C37H63N13O16S	977.4237	NA	PeJP	NA	NA
+PJ111674	SNKEEWW 	C45H59N11O14	977.4243	NA	PeJP	NA	NA
+PJ111675	GGGGGPVEYW 	C45H59N11O14	977.4244	NA	PeJP	NA	NA
+PJ111676	ATTMMMHR 	C38H67N13O11S3	977.4246	NA	PeJP	NA	NA
+PJ111677	SSSMHHHR 	C38H59N17O12S	977.425	NA	PeJP	NA	NA
+PJ111678	PCQKMWW 	C46H63N11O9S2	977.4252	NA	PeJP	NA	NA
+PJ111679	GQQHHWW 	C46H55N15O10	977.4257	NA	PeJP	NA	NA
+PJ111680	VEEEMRW 	C42H63N11O14S	977.4277	NA	PeJP	NA	NA
+PJ111681	GVQYYYW 	C50H59N9O12	977.4283	NA	PeJP	NA	NA
+PJ111682	PPTEYWW 	C50H59N9O12	977.4284	NA	PeJP	NA	NA
+PJ111683	CKMMFRY 	C43H67N11O9S3	977.4286	NA	PeJP	NA	NA
+PJ111684	GCDRRWW 	C43H59N15O10S	977.4291	NA	PeJP	NA	NA
+PJ111685	SSLEEEER 	C38H63N11O19	977.4302	NA	PeJP	NA	NA
+PJ111686	SPVEEMMR 	C39H67N11O14S2	977.4311	NA	PeJP	NA	NA
+PJ111687	SSSNNQRW 	C39H59N15O15	977.4315	NA	PeJP	NA	NA
+PJ111688	GSSDDRRW 	C39H59N15O15	977.4316	NA	PeJP	NA	NA
+PJ111689	VVEEMWW 	C47H63N9O12S	977.4317	NA	PeJP	NA	NA
+PJ111690	PPCLMMMR 	C40H71N11O9S4	977.432	NA	PeJP	NA	NA
+PJ111691	GPTCCRRW 	C40H63N15O10S2	977.4324	NA	PeJP	NA	NA
+PJ111692	NMRWWW 	C48H59N13O8S	977.4331	NA	PeJP	NA	NA
+PJ111693	ATTLEEEW 	C43H63N9O17	977.4342	NA	PeJP	NA	NA
+PJ111694	GSNEEMRR 	C36H63N15O15S	977.4349	NA	PeJP	NA	NA
+PJ111695	GGGGGGGGGSCKK 	C36H63N15O15S	977.435	NA	PeJP	NA	NA
+PJ111696	APTLEMMW 	C44H67N9O12S2	977.4351	NA	PeJP	NA	NA
+PJ111697	SSQERWW 	C44H59N13O13	977.4356	NA	PeJP	NA	NA
+PJ111698	GPCQMMRR 	C37H67N15O10S3	977.4358	NA	PeJP	NA	NA
+PJ111699	PCCKRWW 	C45H63N13O8S2	977.4364	NA	PeJP	NA	NA
+PJ111700	PQHHHHW 	C45H55N17O9	977.4369	NA	PeJP	NA	NA
+PJ111701	ALKEEEEM 	C40H67N9O17S	977.4376	NA	PeJP	NA	NA
+PJ111702	VLEEYYY 	C48H63N7O15	977.4382	NA	PeJP	NA	NA
+PJ111703	PVLQEMMM 	C41H71N9O12S3	977.4385	NA	PeJP	NA	NA
+PJ111704	NDKEMRW 	C41H63N13O13S	977.4389	NA	PeJP	NA	NA
+PJ111705	GGDKEMRW 	C41H63N13O13S	977.439	NA	PeJP	NA	NA
+PJ111706	GSKEWWW 	C49H59N11O11	977.4396	NA	PeJP	NA	NA
+PJ111707	GGGGGCCRRR 	C34H63N19O11S2	977.4397	NA	PeJP	NA	NA
+PJ111708	NMHHHFR 	C42H59N17O9S	977.4403	NA	PeJP	NA	NA
+PJ111709	SSNKEEER 	C37H63N13O18	977.4414	NA	PeJP	NA	NA
+PJ111710	GGSSKEEER 	C37H63N13O18	977.4415	NA	PeJP	NA	NA
+PJ111711	TTTTMMHR 	C38H67N13O13S2	977.4423	NA	PeJP	NA	NA
+PJ111712	DEEHHRR 	C38H59N17O14	977.4428	NA	PeJP	NA	NA
+PJ111713	SLQQMWW 	C46H63N11O11S	977.4429	NA	PeJP	NA	NA
+PJ111714	AQKEMWW 	C46H63N11O11S	977.443	NA	PeJP	NA	NA
+PJ111715	GQFFFFW 	C54H59N9O9	977.4436	NA	PeJP	NA	NA
+PJ111716	SSSSPVTQW 	C42H63N11O16	977.4454	NA	PeJP	NA	NA
+PJ111717	GSDKKEEW 	C42H63N11O16	977.4455	NA	PeJP	NA	NA
+PJ111718	SSNNNMRR 	C35H63N17O14S	977.4461	NA	PeJP	NA	NA
+PJ111719	GSCDERRR 	C35H63N17O14S	977.4462	NA	PeJP	NA	NA
+PJ111720	GPTQKMMW 	C43H67N11O11S2	977.4463	NA	PeJP	NA	NA
+PJ111721	GGGGGLLMMW 	C43H67N11O11S2	977.4464	NA	PeJP	NA	NA
+PJ111722	NNNQFRW 	C43H59N15O12	977.4468	NA	PeJP	NA	NA
+PJ111723	PPVMYWW 	C51H63N9O9S	977.447	NA	PeJP	NA	NA
+PJ111724	ATLEEEMR 	C39H67N11O16S	977.4488	NA	PeJP	NA	NA
+PJ111725	AAAAASKEEM 	C39H67N11O16S	977.4489	NA	PeJP	NA	NA
+PJ111726	AAPLEEYW 	C47H63N9O14	977.4495	NA	PeJP	NA	NA
+PJ111727	APLEMMMR 	C40H71N11O11S3	977.4497	NA	PeJP	NA	NA
+PJ111728	SNEMRRW 	C40H63N15O12S	977.4502	NA	PeJP	NA	NA
+PJ111729	GPPLMMFW 	C48H67N9O9S2	977.4504	NA	PeJP	NA	NA
+PJ111730	GSTRWWW 	C48H59N13O10	977.4508	NA	PeJP	NA	NA
+PJ111731	SSSQEERR 	C36H63N15O17	977.4527	NA	PeJP	NA	NA
+PJ111732	SSSLKMYY 	C44H67N9O14S	977.4528	NA	PeJP	NA	NA
+PJ111733	GTLLEEMW 	C44H67N9O14S	977.4529	NA	PeJP	NA	NA
+MJ099041	Antibiotic CBS 154-94B 	C52H63N7O12	977.45347	NA	MeJP	NA	NA
+PJ111734	PPLYYYY 	C52H63N7O12	977.4535	NA	PeJP	NA	NA
+PJ111735	GAQEMMRR 	C37H67N15O12S2	977.4536	NA	PeJP	NA	NA
+PJ111736	GPLLMMMW 	C45H71N9O9S3	977.4537	NA	PeJP	NA	NA
+PJ111737	GSNDHHRR 	C37H59N19O13	977.454	NA	PeJP	NA	NA
+PJ111738	GDKMRWW 	C45H63N13O10S	977.4542	NA	PeJP	NA	NA
+PJ111739	SKWWWW 	C53H59N11O8	977.4548	NA	PeJP	NA	NA
+PJ111740	GVHFFWW 	C53H59N11O8	977.4549	NA	PeJP	NA	NA
+PJ111741	TTLKEEEE 	C40H67N9O19	977.4554	NA	PeJP	NA	NA
+PJ111742	PTLKEEMM 	C41H71N9O14S2	977.4562	NA	PeJP	NA	NA
+PJ111743	GSSKEERW 	C41H63N13O15	977.4567	NA	PeJP	NA	NA
+PJ111744	LLEMFYY 	C49H67N7O12S	977.4569	NA	PeJP	NA	NA
+PJ111745	PPLKMMMM 	C42H75N9O9S4	977.4571	NA	PeJP	NA	NA
+PJ111746	VQQMMRW 	C42H67N13O10S2	977.4576	NA	PeJP	NA	NA
+PJ111747	SQQHHRW 	C42H59N17O11	977.458	NA	PeJP	NA	NA
+PJ111748	GGGPNHHFR 	C42H59N17O11	977.4581	NA	PeJP	NA	NA
+PJ111749	AAKMWWW 	C50H63N11O8S	977.4582	NA	PeJP	NA	NA
+PJ111750	GTQKEEMR 	C38H67N13O15S	977.4601	NA	PeJP	NA	NA
+PJ111751	SDKKEWW 	C46H63N11O13	977.4607	NA	PeJP	NA	NA
+PJ111752	GPQKMMMR 	C39H71N13O10S3	977.4609	NA	PeJP	NA	NA
+PJ111753	GGAPKMMMR 	C39H71N13O10S3	977.461	NA	PeJP	NA	NA
+PJ111754	SCDRRRW 	C39H63N17O11S	977.4614	NA	PeJP	NA	NA
+PJ111755	PCKKMWW 	C47H67N11O8S2	977.4616	NA	PeJP	NA	NA
+PJ111756	GQKHHWW 	C47H59N15O9	977.4621	NA	PeJP	NA	NA
+PJ111757	SSSDDRRR 	C35H63N17O16	977.4639	NA	PeJP	NA	NA
+PJ111758	QKKEEMW 	C43H67N11O13S	977.4641	NA	PeJP	NA	NA
+PJ111759	PVVEYWW 	C51H63N9O11	977.4647	NA	PeJP	NA	NA
+PJ111760	GPPVEFFW 	C51H63N9O11	977.4648	NA	PeJP	NA	NA
+PJ111761	GSMRRWW 	C44H63N15O9S	977.4654	NA	PeJP	NA	NA
+PJ111762	HFFRWW 	C52H59N13O7	977.4661	NA	PeJP	NA	NA
+PJ111763	TTTLEEER 	C39H67N11O18	977.4666	NA	PeJP	NA	NA
+PJ111764	GLLEEMMR 	C40H71N11O13S2	977.4675	NA	PeJP	NA	NA
+PJ111765	GSSTERRW 	C40H63N15O14	977.4679	NA	PeJP	NA	NA
+PJ111766	GGGGGGGLQRY 	C40H63N15O14	977.468	NA	PeJP	NA	NA
+PJ111767	TLLEMWW 	C48H67N9O11S	977.4681	NA	PeJP	NA	NA
+PJ111768	AQMMRRW 	C41H67N15O9S2	977.4688	NA	PeJP	NA	NA
+PJ111769	GPTHHHHR 	C41H59N19O10	977.4693	NA	PeJP	NA	NA
+PJ111770	STTLLEEW 	C44H67N9O16	977.4706	NA	PeJP	NA	NA
+PJ111771	GSDKEMRR 	C37H67N15O14S	977.4713	NA	PeJP	NA	NA
+PJ111772	GVLLEMMW 	C45H71N9O11S2	977.4715	NA	PeJP	NA	NA
+PJ111773	SSKERWW 	C45H63N13O12	977.4719	NA	PeJP	NA	NA
+PJ111774	GSSSLRWW 	C45H63N13O12	977.472	NA	PeJP	NA	NA
+PJ111775	GPCKMMRR 	C38H71N15O9S3	977.4722	NA	PeJP	NA	NA
+PJ111776	NQMHHRR 	C38H63N19O10S	977.4726	NA	PeJP	NA	NA
+PJ111777	GGQMHHRR 	C38H63N19O10S	977.4727	NA	PeJP	NA	NA
+PJ111778	PKHHHHW 	C46H59N17O8	977.4733	NA	PeJP	NA	NA
+PJ111779	SLLKEEEM 	C41H71N9O16S	977.474	NA	PeJP	NA	NA
+PJ111780	PVLKEMMM 	C42H75N9O11S3	977.4749	NA	PeJP	NA	NA
+PJ111781	TQKEMRW 	C42H67N13O12S	977.4753	NA	PeJP	NA	NA
+PJ111782	GGGGGAPCKKF 	C42H67N13O12S	977.4754	NA	PeJP	NA	NA
+PJ111783	ATTKWWW 	C50H63N11O10	977.476	NA	PeJP	NA	NA
+PJ111784	SSDKKEER 	C38H67N13O17	977.4778	NA	PeJP	NA	NA
+PJ111785	GVQKEMMR 	C39H71N13O12S2	977.4787	NA	PeJP	NA	NA
+PJ111786	NNQQRRY 	C39H63N17O13	977.4792	NA	PeJP	NA	NA
+PJ111787	AKKEMWW 	C47H67N11O10S	977.4793	NA	PeJP	NA	NA
+PJ111788	GGTLKMWW 	C47H67N11O10S	977.4794	NA	PeJP	NA	NA
+PJ111789	PPVFFWW 	C55H63N9O8	977.48	NA	PeJP	NA	NA
+PJ111790	ASTKKEEW 	C43H67N11O15	977.4818	NA	PeJP	NA	NA
+PJ111791	GTTKKEEW 	C43H67N11O15	977.4819	NA	PeJP	NA	NA
+PJ111792	GSSEMRRR 	C36H67N17O13S	977.4825	NA	PeJP	NA	NA
+PJ111793	GGGGSTCKRR 	C36H67N17O13S	977.4826	NA	PeJP	NA	NA
+PJ111794	LLEMMRW 	C44H71N11O10S2	977.4827	NA	PeJP	NA	NA
+PJ111795	SSTRRWW 	C44H63N15O11	977.4832	NA	PeJP	NA	NA
+PJ111796	PVLMFWW 	C52H67N9O8S	977.4834	NA	PeJP	NA	NA
+PJ111797	CNHHRRR 	C37H63N21O9S	977.4839	NA	PeJP	NA	NA
+PJ111798	STLLEEMR 	C40H71N11O15S	977.4852	NA	PeJP	NA	NA
+PJ111799	GPTLLEYW 	C48H67N9O13	977.4859	NA	PeJP	NA	NA
+PJ111800	SPLLMMMR 	C41H75N11O10S3	977.4861	NA	PeJP	NA	NA
+PJ111801	SDKMRRW 	C41H67N15O11S	977.4866	NA	PeJP	NA	NA
+PJ111802	VLLMMWW 	C49H71N9O8S2	977.4867	NA	PeJP	NA	NA
+PJ111803	GVQFRWW 	C49H63N13O9	977.4872	NA	PeJP	NA	NA
+PJ111804	STTTQERR 	C37H67N15O16	977.489	NA	PeJP	NA	NA
+PJ111805	SSSKEERR 	C37H67N15O16	977.4891	NA	PeJP	NA	NA
+PJ111806	SSLLLEMW 	C45H71N9O13S	977.4892	NA	PeJP	NA	NA
+PJ111807	GGPVLLEMY 	C45H71N9O13S	977.4893	NA	PeJP	NA	NA
+PJ111808	PLLFYYY 	C53H67N7O11	977.4899	NA	PeJP	NA	NA
+PJ111809	GGGGGKKMMR 	C38H71N15O11S2	977.49	NA	PeJP	NA	NA
+PJ111810	GSTQHHRR 	C38H63N19O12	977.4904	NA	PeJP	NA	NA
+PJ111811	ATKMRWW 	C46H67N13O9S	977.4906	NA	PeJP	NA	NA
+PJ111812	SSSTLLLEE 	C41H71N9O18	977.4917	NA	PeJP	NA	NA
+PJ111813	VVLKEEMM 	C42H75N9O13S2	977.4926	NA	PeJP	NA	NA
+PJ111814	GTTTKERW 	C42H67N13O14	977.4931	NA	PeJP	NA	NA
+PJ111815	LLLMYYY 	C50H71N7O11S	977.4933	NA	PeJP	NA	NA
+PJ111816	VQKMMRW 	C43H71N13O9S2	977.4939	NA	PeJP	NA	NA
+3659	NA	ITDFQILE	977.4939	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ111817	LNKMMRW 	C43H71N13O9S2	977.494	NA	PeJP	NA	NA
+PJ111818	SQKHHRW 	C43H63N17O10	977.4944	NA	PeJP	NA	NA
+PJ111819	SSLQKEMR 	C39H71N13O14S	977.4964	NA	PeJP	NA	NA
+PJ111820	GTKKEEMR 	C39H71N13O14S	977.4965	NA	PeJP	NA	NA
+PJ111821	TTKKEWW 	C47H67N11O12	977.4971	NA	PeJP	NA	NA
+PJ111822	GPKKMMMR 	C40H75N13O9S3	977.4973	NA	PeJP	NA	NA
+PJ111823	SSMRRRW 	C40H67N17O10S	977.4978	NA	PeJP	NA	NA
+PJ111824	QFRRWW 	C48H63N15O8	977.4984	NA	PeJP	NA	NA
+PJ111825	GAFRRWW 	C48H63N15O8	977.4985	NA	PeJP	NA	NA
+PJ111826	SSSTERRR 	C36H67N17O15	977.5003	NA	PeJP	NA	NA
+PJ111827	KKKEEMW 	C44H71N11O12S	977.5005	NA	PeJP	NA	NA
+PJ111828	PTLLYWW 	C52H67N9O10	977.5011	NA	PeJP	NA	NA
+PJ111829	TQMMRRR 	C37H71N17O10S2	977.5012	NA	PeJP	NA	NA
+PJ111830	VLMHHRW 	C45H67N15O8S	977.5018	NA	PeJP	NA	NA
+PJ111831	STKKKEEE 	C40H71N11O17	977.503	NA	PeJP	NA	NA
+PJ111832	AAPTTKKMM 	C41H75N11O12S2	977.5038	NA	PeJP	NA	NA
+PJ111833	SVLLEMMR 	C41H75N11O12S2	977.5039	NA	PeJP	NA	NA
+PJ111834	SSSSLRRW 	C41H67N15O13	977.5043	NA	PeJP	NA	NA
+PJ111835	GGGGGGGPPPLR 	C41H67N15O13	977.5044	NA	PeJP	NA	NA
+PJ111836	GPVLLMYW 	C49H71N9O10S	977.5045	NA	PeJP	NA	NA
+PJ111837	AKMMRRW 	C42H71N15O8S2	977.5052	NA	PeJP	NA	NA
+PJ111838	AALHHHHR 	C42H63N19O9	977.5057	NA	PeJP	NA	NA
+PJ111839	SPLLKEEY 	C45H71N9O15	977.507	NA	PeJP	NA	NA
+PJ111840	GTTKEMRR 	C38H71N15O13S	977.5077	NA	PeJP	NA	NA
+PJ111841	ATLLLMMW 	C46H75N9O10S2	977.5079	NA	PeJP	NA	NA
+PJ111842	TTTKRWW 	C46H67N13O11	977.5083	NA	PeJP	NA	NA
+PJ111843	GGGGLLRYW 	C46H67N13O11	977.5084	NA	PeJP	NA	NA
+PJ111844	GPPCHRRR 	C39H67N19O9S	977.509	NA	PeJP	NA	NA
+PJ111845	GTTTLLLEM 	C42H75N9O15S	977.5104	NA	PeJP	NA	NA
+PJ111846	VLLLQMMM 	C43H79N9O10S3	977.5112	NA	PeJP	NA	NA
+PJ111847	GGILLLMMM 	C43H79N9O10S3	977.5113	NA	PeJP	NA	NA
+PJ111848	TKKEMRW 	C43H71N13O11S	977.5117	NA	PeJP	NA	NA
+PJ111849	APKKYWW 	C51H67N11O9	977.5124	NA	PeJP	NA	NA
+PJ111850	STTKKEER 	C39H71N13O16	977.5142	NA	PeJP	NA	NA
+HMDB06972	CDP-DG(16:0/18:2(9Z,12Z))	C46H81N3O15P2	977.514282	NA	HMDB2010	NA	NA
+PJ111851	GVKKEMMR 	C40H75N13O11S2	977.5151	NA	PeJP	NA	NA
+PJ111852	NNQKRRY 	C40H67N17O12	977.5155	NA	PeJP	NA	NA
+PJ111853	AQERRRY 	C40H67N17O12	977.5156	NA	PeJP	NA	NA
+PJ111854	SLKKMWW 	C48H71N11O9S	977.5157	NA	PeJP	NA	NA
+PJ111855	VHHHHRR 	C41H63N21O8	977.5169	NA	PeJP	NA	NA
+PJ111856	SSTLKKEW 	C44H71N11O14	977.5182	NA	PeJP	NA	NA
+PJ111857	GGGAALLKEY 	C44H71N11O14	977.5183	NA	PeJP	NA	NA
+PJ111858	GTTTMRRR 	C37H71N17O12S	977.5189	NA	PeJP	NA	NA
+PJ111859	AALKKMMW 	C45H75N11O9S2	977.5191	NA	PeJP	NA	NA
+PJ111860	GLQRRYW 	C45H67N15O10	977.5196	NA	PeJP	NA	NA
+PJ111861	SVKKKEEM 	C41H75N11O14S	977.5216	NA	PeJP	NA	NA
+PJ111862	SSPIILYW 	C49H71N9O12	977.5222	NA	PeJP	NA	NA
+PJ111863	AALLLEYW 	C49H71N9O12	977.5223	NA	PeJP	NA	NA
+PJ111864	ALLLMMMR 	C42H79N11O9S3	977.5225	NA	PeJP	NA	NA
+PJ111865	TTKMRRW 	C42H71N15O10S	977.5229	NA	PeJP	NA	NA
+PJ111866	GAPKMRRY 	C42H71N15O10S	977.523	NA	PeJP	NA	NA
+PJ111867	GVKFRWW 	C50H67N13O8	977.5236	NA	PeJP	NA	NA
+PJ111868	STTTKERR 	C38H71N15O15	977.5254	NA	PeJP	NA	NA
+PJ111869	GGGSSTTKKR 	C38H71N15O15	977.5255	NA	PeJP	NA	NA
+PJ111870	TTTLLLMW 	C46H75N9O12S	977.5256	NA	PeJP	NA	NA
+PJ111871	LLLFFYY 	C54H71N7O10	977.5263	NA	PeJP	NA	NA
+PJ111872	GDRRRRY 	C39H67N19O11	977.5268	NA	PeJP	NA	NA
+PJ111873	LKMHFFR 	C47H71N13O8S	977.527	NA	PeJP	NA	NA
+PJ111874	STTTTLLLE 	C42H75N9O17	977.5281	NA	PeJP	NA	NA
+PJ111875	TLLLKEMM 	C43H79N9O12S2	977.529	NA	PeJP	NA	NA
+PJ111876	SSTTLKRW 	C43H71N13O13	977.5295	NA	PeJP	NA	NA
+PJ111877	VKKMMRW 	C44H75N13O8S2	977.5303	NA	PeJP	NA	NA
+PJ111878	AARRRYW 	C44H67N17O9	977.5308	NA	PeJP	NA	NA
+PJ111879	SSLKKEMR 	C40H75N13O13S	977.5328	NA	PeJP	NA	NA
+PJ111880	GGSDKKKKM 	C40H75N13O13S	977.5329	NA	PeJP	NA	NA
+PJ111881	VLLERYW 	C48H71N11O11	977.5335	NA	PeJP	NA	NA
+PJ111882	PCKRRRY 	C41H71N17O9S	977.5342	NA	PeJP	NA	NA
+PJ111883	KFRRWW 	C49H67N15O7	977.5348	NA	PeJP	NA	NA
+PJ111884	STTTTRRR 	C37H71N17O14	977.5367	NA	PeJP	NA	NA
+PJ111885	ATTLKKMW 	C45H75N11O11S	977.5369	NA	PeJP	NA	NA
+PJ111886	VVLLYWW 	C53H71N9O9	977.5375	NA	PeJP	NA	NA
+PJ111887	TKMMRRR 	C38H75N17O9S2	977.5376	NA	PeJP	NA	NA
+PJ111888	PTTTTTTKK 	C41H75N11O16	977.5393	NA	PeJP	NA	NA
+PJ111889	SSSSLLKKE 	C41H75N11O16	977.5394	NA	PeJP	NA	NA
+PJ111890	TTLLLMMR 	C42H79N11O11S2	977.5402	NA	PeJP	NA	NA
+PJ111891	VQKERRY 	C42H71N15O12	977.5407	NA	PeJP	NA	NA
+PJ111892	GVLLLMFW 	C50H75N9O9S	977.5409	NA	PeJP	NA	NA
+PJ111893	APHRRRW 	C43H67N19O8	977.542	NA	PeJP	NA	NA
+PJ111894	ALLLKEEY 	C46H75N9O14	977.5434	NA	PeJP	NA	NA
+PJ111895	SSTLKMRR 	C39H75N15O12S	977.5441	NA	PeJP	NA	NA
+PJ111896	PVLLKMMF 	C47H79N9O9S2	977.5443	NA	PeJP	NA	NA
+PJ111897	PTKKRYW 	C47H71N13O10	977.5447	NA	PeJP	NA	NA
+PJ111898	GMFRRRR 	C40H71N19O8S	977.5454	NA	PeJP	NA	NA
+PJ111899	SSTTLLLLM 	C43H79N9O14S	977.5467	NA	PeJP	NA	NA
+PJ111900	SSTTIILLM 	C43H79N9O14S	977.5468	NA	PeJP	NA	NA
+PJ111901	VLLLKMMM 	C44H83N9O9S3	977.5476	NA	PeJP	NA	NA
+PJ111902	GTCKKKKW 	C44H75N13O10S	977.5481	NA	PeJP	NA	NA
+PJ111903	ALKKFWW 	C52H71N11O8	977.5487	NA	PeJP	NA	NA
+PJ111904	PLLFFRW 	C52H71N11O8	977.5488	NA	PeJP	NA	NA
+PJ111905	SSSSTLLKR 	C40H75N13O15	977.5506	NA	PeJP	NA	NA
+PJ111906	ATLKKMMR 	C41H79N13O10S2	977.5515	NA	PeJP	NA	NA
+PJ111907	AKERRRY 	C41H71N17O11	977.5519	NA	PeJP	NA	NA
+PJ111908	GGGGKKRRY 	C41H71N17O11	977.552	NA	PeJP	NA	NA
+PJ111909	LLLMFRW 	C49H75N11O8S	977.5521	NA	PeJP	NA	NA
+PJ111910	TTTTLKKW 	C45H75N11O13	977.5546	NA	PeJP	NA	NA
+PJ111911	GLKRRYW 	C46H71N15O9	977.556	NA	PeJP	NA	NA
+PJ111912	TTLKKKEM 	C42H79N11O13S	977.558	NA	PeJP	NA	NA
+PJ111913	GTLLLLYW 	C50H75N9O11	977.5586	NA	PeJP	NA	NA
+PJ111914	GGPVLLLFY 	C50H75N9O11	977.5587	NA	PeJP	NA	NA
+PJ111915	PKKMRRY 	C43H75N15O9S	977.5593	NA	PeJP	NA	NA
+PJ111916	GSSSTKKKR 	C39H75N15O14	977.5618	NA	PeJP	NA	NA
+PJ111917	PTLLLKMY 	C47H79N9O11S	977.562	NA	PeJP	NA	NA
+PJ111918	GCKKKKMR 	C40H79N15O9S2	977.5627	NA	PeJP	NA	NA
+PJ111919	ATRRRRY 	C40H71N19O10	977.5632	NA	PeJP	NA	NA
+PJ111920	SSSKKKKW 	C44H75N13O12	977.5659	NA	PeJP	NA	NA
+PJ111921	PVKHRRW 	C45H71N17O8	977.5672	NA	PeJP	NA	NA
+PJ111922	TTTLKKMR 	C41H79N13O12S	977.5692	NA	PeJP	NA	NA
+PJ111923	LLQKKYW 	C49H75N11O10	977.5699	NA	PeJP	NA	NA
+PJ111924	CLKFRRR 	C42H75N17O8S	977.5706	NA	PeJP	NA	NA
+PJ111925	GLLLLMRY 	C46H79N11O10S	977.5733	NA	PeJP	NA	NA
+PJ111926	PTHRRRR 	C39H71N21O9	977.5744	NA	PeJP	NA	NA
+PJ111927	SSTTTLLKK 	C42H79N11O15	977.5757	NA	PeJP	NA	NA
+PJ111928	SLLKKKMM 	C43H83N11O10S2	977.5766	NA	PeJP	NA	NA
+PJ111929	VKKERRY 	C43H75N15O11	977.5771	NA	PeJP	NA	NA
+PJ111930	SLLLLKEY 	C47H79N9O13	977.5798	NA	PeJP	NA	NA
+PJ111931	STCKKKKR 	C40H79N15O11S	977.5805	NA	PeJP	NA	NA
+PJ111932	VVKKRYW 	C48H75N13O9	977.5811	NA	PeJP	NA	NA
+PJ111933	GVLKKMFR 	C45H79N13O9S	977.5845	NA	PeJP	NA	NA
+PJ111934	GSTTTKKKK 	C41H79N13O14	977.587	NA	PeJP	NA	NA
+PJ111935	GKKKKKMM 	C42H83N13O9S2	977.5879	NA	PeJP	NA	NA
+PJ111936	SLKRRRY 	C42H75N17O10	977.5883	NA	PeJP	NA	NA
+PJ111937	STLLLLRY 	C46H79N11O12	977.591	NA	PeJP	NA	NA
+PJ111938	PKKFFRR 	C47H75N15O8	977.5924	NA	PeJP	NA	NA
+PJ111939	PVVLLKFY 	C51H79N9O10	977.595	NA	PeJP	NA	NA
+PJ111940	LKKMFRR 	C44H79N15O8S	977.5957	NA	PeJP	NA	NA
+PJ111941	VVLLLKMY 	C48H83N9O10S	977.5984	NA	PeJP	NA	NA
+PJ111942	LLQHRRR 	C41H75N19O9	977.5996	NA	PeJP	NA	NA
+PJ111943	GTLLKKRY 	C45H79N13O11	977.6022	NA	PeJP	NA	NA
+PJ111944	GGGLKKKKY 	C45H79N13O11	977.6023	NA	PeJP	NA	NA
+PJ111945	STKKKKKM 	C42H83N13O11S	977.6056	NA	PeJP	NA	NA
+PJ111946	LLKKKYW 	C50H79N11O9	977.6063	NA	PeJP	NA	NA
+PJ111947	ALLKKKMF 	C47H83N11O9S	977.6096	NA	PeJP	NA	NA
+PJ111948	VVHRRRR 	C40H75N21O8	977.6108	NA	PeJP	NA	NA
+PJ111949	QKKKKRY 	C44H79N15O10	977.6135	NA	PeJP	NA	NA
+PJ111950	APPLLLLLE 	C48H83N9O12	977.6162	NA	PeJP	NA	NA
+PJ111951	APPLLRRR 	C43H79N17O9	977.6247	NA	PeJP	NA	NA
+PJ111952	SVLLKKKY 	C47H83N11O11	977.6274	NA	PeJP	NA	NA
+PJ111953	VVLLLKFF 	C52H83N9O9	977.6314	NA	PeJP	NA	NA
+PJ111954	LLKHRRR 	C42H79N19O8	977.636	NA	PeJP	NA	NA
+PJ111955	GVKKKKKY 	C46H83N13O10	977.6386	NA	PeJP	NA	NA
+PJ111956	KKKKKRY 	C45H83N15O9	977.6499	NA	PeJP	NA	NA
+PJ111957	SPPLLLLLL 	C49H87N9O11	977.6525	NA	PeJP	NA	NA
+PJ111958	PPVTLLLLL 	C49H87N9O11	977.6526	NA	PeJP	NA	NA
+PJ111959	GPPLLLLKK 	C48H87N11O10	977.6638	NA	PeJP	NA	NA
+PJ111960	VLLLKKKH 	C47H87N13O9	977.675	NA	PeJP	NA	NA
+PJ111961	APLLLLLLL 	C50H91N9O10	977.6889	NA	PeJP	NA	NA
+C16157	Undecaprenyl phosphate alpha-L-Ara4N	C60H100NO7P	977.7237	NA	KEGG	NA	NA
+C16158	Exendin-2	C60H100NO7P	977.7237	NA	KEGG	NA	NA
+PJ111962	CCCCCCNNN 	C30H50N12O13S6	978.1945	NA	PeJP	NA	NA
+PJ111963	SCCCCCNDE 	C31H50N10O16S5	978.201	NA	PeJP	NA	NA
+PJ111964	PCCCCCCNM 	C32H54N10O11S7	978.2019	NA	PeJP	NA	NA
+PJ111965	GSCCCCCDW 	C35H50N10O13S5	978.2163	NA	PeJP	NA	NA
+PJ111966	GSSSCCCCDD 	C31H50N10O18S4	978.2188	NA	PeJP	NA	NA
+PJ111967	GCCCCNDMM 	C32H54N10O13S6	978.2196	NA	PeJP	NA	NA
+PJ111968	GGGCCCCDMM 	C32H54N10O13S6	978.2197	NA	PeJP	NA	NA
+PJ111969	GCCCCCCER 	C31H54N12O12S6	978.2309	NA	PeJP	NA	NA
+PJ111970	GCCCCNDDF 	C35H50N10O15S4	978.234	NA	PeJP	NA	NA
+PJ111971	GGGCCCCDDF 	C35H50N10O15S4	978.2341	NA	PeJP	NA	NA
+PJ111972	CCCCCQMW 	C36H54N10O10S6	978.2349	NA	PeJP	NA	NA
+PJ111973	SSCCCCNEM 	C32H54N10O15S5	978.2374	NA	PeJP	NA	NA
+PJ111974	GCCCCCNHH 	C33H50N14O11S5	978.2388	NA	PeJP	NA	NA
+PJ111975	CCDDDDMY 	C36H50N8O18S3	978.2406	NA	PeJP	NA	NA
+PJ111976	CCDDMMMM 	C34H58N8O13S6	978.2448	NA	PeJP	NA	NA
+PJ111977	CCCCCCRW 	C35H54N12O9S6	978.2461	NA	PeJP	NA	NA
+PJ111978	SSCCCCCDR 	C31H54N12O14S5	978.2486	NA	PeJP	NA	NA
+PJ111979	GSCCCNDDY 	C35H50N10O17S3	978.2518	NA	PeJP	NA	NA
+PJ111980	GSSCCCCMW 	C36H54N10O12S5	978.2527	NA	PeJP	NA	NA
+PJ111981	GSSSSCCCDM 	C32H54N10O17S4	978.2552	NA	PeJP	NA	NA
+PJ111982	GSCCCNMMM 	C33H58N10O12S6	978.256	NA	PeJP	NA	NA
+PJ111983	CCDDDMMF 	C37H54N8O15S4	978.2592	NA	PeJP	NA	NA
+PJ111984	CCCDMMHH 	C35H54N12O11S5	978.2639	NA	PeJP	NA	NA
+FL5FAAGA0037	Kaempferol 3-glucosyl-(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside	C44H50O25	978.26411	168781-60-0	knapsack	NA	NA
+FL5FAAGL0097	Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside	C44H50O25	978.26411	82540-86-1<BR>112294-86-7	knapsack	NA	NA
+FL5FAAGL0102	Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside	C44H50O25	978.26411	112208-89-6	knapsack	NA	NA
+FL5FACGS0119	Quercetin 3-(6''-(E)-sinapoylsophoroside)-7-rhamnoside;7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C44H50O25	978.26411	404843-89-6	knapsack	NA	NA
+MJ099042	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxy-E-cinnamoyl-(?2)-?-D-xylopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C44H50O25	978.264117	NA	MeJP	NA	NA
+MJ099043	3,4',5,7-Tetrahydroxy-3',6-dimethoxyflavone; 3-O-[4-Hydroxy-3-methoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?6)-[?-D-apiofuranosyl-(1?2)]-?-D-glucopyranoside] 	C44H50O25	978.264117	NA	MeJP	NA	NA
+MJ099044	Astragalin; 2''-O-(4-Hydroxy-3,5-dimethoxycinnamoyl), 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H50O25	978.264117	NA	MeJP	NA	NA
+MJ099045	Astragalin; 2''-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?2)-?-D-glucopyranosyl], 7-O-?-D-glucopyranoside 	C44H50O25	978.264117	NA	MeJP	NA	NA
+MJ099046	Populnin; 3-O-[4-Hydroxy-3,5-dimethoxycinnamoyl-(?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H50O25	978.264117	NA	MeJP	NA	NA
+MJ099047	Trifolin; 2''-O-[?-D-Glucopyranosyl-(1?4)-[(4-hydroxy-3,5-dimethoxycinnamoyl)-(?6)]-?-D-glucopyranosyl] 	C44H50O25	978.264117	NA	MeJP	NA	NA
+PJ111985	GTCCCCCMR 	C32H58N12O11S6	978.2673	NA	PeJP	NA	NA
+PJ111986	CDDDDEMH 	C35H50N10O19S2	978.2696	NA	PeJP	NA	NA
+PJ111987	SSSTCCCCW 	C36H54N10O14S4	978.2704	NA	PeJP	NA	NA
+PJ111988	CCCCCKMW 	C37H58N10O9S6	978.2713	NA	PeJP	NA	NA
+PJ111989	SSSSSSCCCE 	C32H54N10O19S3	978.2729	NA	PeJP	NA	NA
+PJ111990	CCDDDDFF 	C40H50N8O17S2	978.2736	NA	PeJP	NA	NA
+PJ111991	SSSCCCQMM 	C33H58N10O14S5	978.2738	NA	PeJP	NA	NA
+PJ111992	GCCCNNNDH 	C33H50N14O15S3	978.2743	NA	PeJP	NA	NA
+PJ111993	SCDDDMMY 	C37H54N8O17S3	978.2769	NA	PeJP	NA	NA
+PJ111994	PCCCEMMY 	C38H58N8O12S5	978.2778	NA	PeJP	NA	NA
+PJ111995	CCCDDHHF 	C38H50N12O13S3	978.2783	NA	PeJP	NA	NA
+MJ099048	Oxanthromicin; 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-galactopyranoside] 	C48H50O22	978.279373	NA	MeJP	NA	NA
+PJ111996	GSCCNDDEH 	C34H50N12O18S2	978.2808	NA	PeJP	NA	NA
+PJ111997	SCDMMMMM 	C35H62N8O12S6	978.2812	NA	PeJP	NA	NA
+PJ111998	CCCCNDRY 	C35H54N12O13S4	978.2817	NA	PeJP	NA	NA
+PJ111999	CCCCHHHH 	C36H50N16O9S4	978.283	NA	PeJP	NA	NA
+PJ112000	SSSCCCCMR 	C32H58N12O13S5	978.285	NA	PeJP	NA	NA
+PJ112001	GCCCNMYW 	C40H54N10O11S4	978.2857	NA	PeJP	NA	NA
+PJ112002	GPCNDDDDE 	C35H50N10O21S	978.2873	NA	PeJP	NA	NA
+PJ112003	GSSCCNDMY 	C36H54N10O16S3	978.2882	NA	PeJP	NA	NA
+PJ112004	CCCNQMMF 	C37H58N10O11S5	978.289	NA	PeJP	NA	NA
+PJ112005	GPCCCCCKY 	C37H58N10O11S5	978.2891	NA	PeJP	NA	NA
+PJ112006	GCDDDEYY 	C40H50N8O19S	978.2913	NA	PeJP	NA	NA
+PJ112007	GSSSSSCCMM 	C33H58N10O16S4	978.2915	NA	PeJP	NA	NA
+PJ112008	PCCCDEFY 	C41H54N8O14S3	978.2922	NA	PeJP	NA	NA
+PJ112009	GTCCCCKMM 	C34H62N10O11S6	978.2924	NA	PeJP	NA	NA
+PJ112010	GCDEMMMY 	C38H58N8O14S4	978.2956	NA	PeJP	NA	NA
+PJ112011	SCCNDDHW 	C38H50N12O15S2	978.296	NA	PeJP	NA	NA
+PJ112012	GGSCCDDHW 	C38H50N12O15S2	978.2961	NA	PeJP	NA	NA
+PJ112013	PCCCCQHW 	C39H54N12O10S4	978.2969	NA	PeJP	NA	NA
+PJ112014	SSSCNDDDH 	C34H50N12O20S	978.2985	NA	PeJP	NA	NA
+PJ112015	CNNDDMMH 	C35H54N12O15S3	978.2994	NA	PeJP	NA	NA
+PJ112016	ACMMMMMM 	C36H66N8O9S7	978.2998	NA	PeJP	NA	NA
+PJ112017	CCCCNMFR 	C36H58N12O10S5	978.3003	NA	PeJP	NA	NA
+PJ112018	PCNDDDDW 	C39H50N10O18S	978.3026	NA	PeJP	NA	NA
+PJ112019	SSCCCQYW 	C40H54N10O13S3	978.3034	NA	PeJP	NA	NA
+PJ112020	GGGGCCCEFF 	C40H54N10O13S3	978.3035	NA	PeJP	NA	NA
+PJ112021	NNDDDEEE 	C35H50N10O23	978.3051	NA	PeJP	NA	NA
+PJ112022	SSSSCCNEY 	C36H54N10O18S2	978.3059	NA	PeJP	NA	NA
+PJ112023	GGSPPCCDDE 	C36H54N10O18S2	978.306	NA	PeJP	NA	NA
+PJ112024	CDDDYYW 	C44H50N8O16S	978.3066	NA	PeJP	NA	NA
+PJ112025	SCCNQMMY 	C37H58N10O13S4	978.3068	NA	PeJP	NA	NA
+PJ112026	SSDDDDYY 	C40H50N8O21	978.3091	NA	PeJP	NA	NA
+PJ112027	SSSSSSTCCM 	C33H58N10O18S3	978.3093	NA	PeJP	NA	NA
+PJ112028	GCNNNNNDD 	C33H50N14O19S	978.3098	NA	PeJP	NA	NA
+PJ112029	SPCCDEYY 	C41H54N8O16S2	978.31	NA	PeJP	NA	NA
+PJ112030	SSSCCCKMM 	C34H62N10O13S5	978.3102	NA	PeJP	NA	NA
+PJ112031	CCCNDEHR 	C34H54N14O14S3	978.3106	NA	PeJP	NA	NA
+PJ112032	GGCCCDEHR 	C34H54N14O14S3	978.3107	NA	PeJP	NA	NA
+PJ112033	CDMMMYW 	C42H58N8O11S4	978.3108	NA	PeJP	NA	NA
+PJ112034	PDDDEEEM 	C37H54N8O21S	978.3125	NA	PeJP	NA	NA
+PJ112035	SSDDMMMY 	C38H58N8O16S3	978.3133	NA	PeJP	NA	NA
+PJ112036	CNNDDDHF 	C38H50N12O17S	978.3138	NA	PeJP	NA	NA
+PJ112037	PTCCMMMY 	C39H62N8O11S5	978.3142	NA	PeJP	NA	NA
+PJ112038	GCCNEMHW 	C39H54N12O12S3	978.3147	NA	PeJP	NA	NA
+PJ112039	NDDDDDDR 	C34H50N12O22	978.3163	NA	PeJP	NA	NA
+PJ112040	GSSCNDEMH 	C35H54N12O17S2	978.3172	NA	PeJP	NA	NA
+PJ112041	SSMMMMMM 	C36H66N8O11S6	978.3176	NA	PeJP	NA	NA
+PJ112042	SCCCNMRY 	C36H58N12O12S4	978.318	NA	PeJP	NA	NA
+PJ112043	GGGSPCCMMH 	C36H58N12O12S4	978.3181	NA	PeJP	NA	NA
+PJ112044	CCNNDHHH 	C36H50N16O13S2	978.3185	NA	PeJP	NA	NA
+PJ112045	GCCCNFFW 	C44H54N10O10S3	978.3187	NA	PeJP	NA	NA
+PJ112046	GNDDDEEW 	C39H50N10O20	978.3203	NA	PeJP	NA	NA
+PJ112047	GSSSSCCYW 	C40H54N10O15S2	978.3212	NA	PeJP	NA	NA
+PJ112048	ACCCCKYW 	C41H58N10O10S4	978.3221	NA	PeJP	NA	NA
+PJ112049	GSSSSSSCDY 	C36H54N10O20S	978.3237	NA	PeJP	NA	NA
+PJ112050	GSSSCNMMY 	C37H58N10O15S3	978.3246	NA	PeJP	NA	NA
+PJ112051	SCDDEHHH 	C37H50N14O16S	978.325	NA	PeJP	NA	NA
+PJ112052	CDDMFYW 	C45H54N8O13S2	978.3252	NA	PeJP	NA	NA
+PJ112053	CCCNKMMF 	C38H62N10O10S5	978.3254	NA	PeJP	NA	NA
+PJ112054	GCCCDHRW 	C38H54N14O11S3	978.3259	NA	PeJP	NA	NA
+PJ112055	GSDDEMYY 	C41H54N8O18S	978.3277	NA	PeJP	NA	NA
+PJ112056	GSSCCDDHR 	C34H54N14O16S2	978.3284	NA	PeJP	NA	NA
+PJ112057	GPCDMMYY 	C42H58N8O13S3	978.3286	NA	PeJP	NA	NA
+PJ112058	GPTCCCCHR 	C35H58N14O11S4	978.3293	NA	PeJP	NA	NA
+PJ112059	CMMMMFW 	C43H62N8O8S5	978.3295	NA	PeJP	NA	NA
+PJ112060	CCNMHWW 	C43H54N12O9S3	978.3299	NA	PeJP	NA	NA
+PJ112061	GEEEEEEE 	C37H54N8O23	978.3302	NA	PeJP	NA	NA
+PJ112062	SNNNDDDW 	C38H50N12O19	978.3316	NA	PeJP	NA	NA
+PJ112063	SVCDMMMY 	C39H62N8O13S4	978.3319	NA	PeJP	NA	NA
+PJ112064	GSEMMMMY 	C39H62N8O13S4	978.332	NA	PeJP	NA	NA
+PJ112065	SSCNDMHW 	C39H54N12O14S2	978.3324	NA	PeJP	NA	NA
+PJ112066	GGGGGGPCCEW 	C39H54N12O14S2	978.3325	NA	PeJP	NA	NA
+PJ112067	PCCCCKHW 	C40H58N12O9S4	978.3333	NA	PeJP	NA	NA
+PJ112068	GSPCDDDDR 	C35H54N12O19S	978.3349	NA	PeJP	NA	NA
+PJ112069	GGGGGGNDEEM 	C35H54N12O19S	978.335	NA	PeJP	NA	NA
+PJ112070	NDDDEWW 	C43H50N10O17	978.3356	NA	PeJP	NA	NA
+PJ112071	GSSTCCCRY 	C36H58N12O14S3	978.3358	NA	PeJP	NA	NA
+PJ112072	CCNQYYW 	C44H54N10O12S2	978.3364	NA	PeJP	NA	NA
+PJ112073	SPCDDQEW 	C40H54N10O17S	978.3389	NA	PeJP	NA	NA
+PJ112074	SPNDDDMW 	C40H54N10O17S	978.339	NA	PeJP	NA	NA
+PJ112075	SSCCCKYW 	C41H58N10O12S3	978.3398	NA	PeJP	NA	NA
+PJ112076	SNNEEEEE 	C36H54N10O22	978.3414	NA	PeJP	NA	NA
+PJ112077	GGSNEEEEE 	C36H54N10O22	978.3415	NA	PeJP	NA	NA
+PJ112078	SSSSSCQMY 	C37H58N10O17S2	978.3423	NA	PeJP	NA	NA
+PJ112079	SDDMYYW 	C45H54N8O15S	978.343	NA	PeJP	NA	NA
+PJ112080	SCCNKMMY 	C38H62N10O12S4	978.3432	NA	PeJP	NA	NA
+PJ112081	CCNNNQHF 	C38H54N14O13S2	978.3437	NA	PeJP	NA	NA
+PJ112082	CDMMFFW 	C46H58N8O10S3	978.3438	NA	PeJP	NA	NA
+PJ112083	EEEEEEW 	C41H54N8O20	978.3455	NA	PeJP	NA	NA
+PJ112084	ASCNNNNNE 	C34H54N14O18S	978.3461	NA	PeJP	NA	NA
+PJ112085	CNNNDDER 	C34H54N14O18S	978.3462	NA	PeJP	NA	NA
+PJ112086	NEEMMYY 	C42H58N8O15S2	978.3463	NA	PeJP	NA	NA
+PJ112087	SCCNEMHR 	C35H58N14O13S3	978.347	NA	PeJP	NA	NA
+PJ112088	SMMMMYW 	C43H62N8O10S4	978.3472	NA	PeJP	NA	NA
+PJ112089	GSTCCHWW 	C43H54N12O11S2	978.3477	NA	PeJP	NA	NA
+PJ112090	SPEEEEEM 	C38H58N8O20S	978.3488	NA	PeJP	NA	NA
+PJ112091	PTDEEEEM 	C38H58N8O20S	978.3489	NA	PeJP	NA	NA
+PJ112092	SSTEMMMY 	C39H62N8O15S3	978.3497	NA	PeJP	NA	NA
+PJ112093	GSSSSCEHW 	C39H54N12O16S	978.3502	NA	PeJP	NA	NA
+PJ112094	AAMMMMMY 	C40H66N8O10S5	978.3506	NA	PeJP	NA	NA
+PJ112095	GDDDWWW 	C47H50N10O14	978.3508	NA	PeJP	NA	NA
+PJ112096	PPCCCDRW 	C40H58N12O11S3	978.3511	NA	PeJP	NA	NA
+PJ112097	SNDDDEER 	C35H54N12O21	978.3527	NA	PeJP	NA	NA
+PJ112098	SSSSSCCRY 	C36H58N12O16S2	978.3535	NA	PeJP	NA	NA
+PJ112099	PCNDDEMR 	C36H58N12O16S2	978.3536	NA	PeJP	NA	NA
+PJ112100	NNNNDDHH 	C36H50N16O17	978.354	NA	PeJP	NA	NA
+PJ112101	GGGGGGNDDHH 	C36H50N16O17	978.3541	NA	PeJP	NA	NA
+PJ112102	GSPCDEWW 	C44H54N10O14S	978.3542	NA	PeJP	NA	NA
+PJ112103	TCCCCKRY 	C37H62N12O11S4	978.3544	NA	PeJP	NA	NA
+PJ112104	SCNNMHHH 	C37H54N16O12S2	978.3549	NA	PeJP	NA	NA
+PJ112105	GPPCCMWW 	C45H58N10O9S3	978.3551	NA	PeJP	NA	NA
+PJ112106	GSNEEEEW 	C40H54N10O19	978.3567	NA	PeJP	NA	NA
+PJ112107	GPNDEMMW 	C41H58N10O14S2	978.3576	NA	PeJP	NA	NA
+PJ112108	GDDDHHHF 	C41H50N14O15	978.3581	NA	PeJP	NA	NA
+PJ112109	CDDFFFW 	C49H54N8O12S	978.3582	NA	PeJP	NA	NA
+PJ112110	SCCCDHRR 	C34H58N16O12S3	978.3583	NA	PeJP	NA	NA
+PJ112111	CEMHHHW 	C42H54N14O10S2	978.3589	NA	PeJP	NA	NA
+PJ112112	GSSSSSSSMY 	C37H58N10O19S	978.3601	NA	PeJP	NA	NA
+PJ112113	GSPDDYYY 	C45H54N8O17	978.3607	NA	PeJP	NA	NA
+PJ112114	GSSTCCKMY 	C38H62N10O14S3	978.3609	NA	PeJP	NA	NA
+PJ112115	ATEEMMMH 	C38H62N10O14S3	978.361	NA	PeJP	NA	NA
+PJ112116	GCNNDDRW 	C38H54N14O15S	978.3614	NA	PeJP	NA	NA
+PJ112117	GGGGGGGGGGTCW 	C38H54N14O15S	978.3615	NA	PeJP	NA	NA
+PJ112118	GEMMYYW 	C46H58N8O12S2	978.3616	NA	PeJP	NA	NA
+PJ112119	APMMMMMH 	C39H66N10O9S5	978.3618	NA	PeJP	NA	NA
+PJ112120	GSCCMHRW 	C39H58N14O10S3	978.3623	NA	PeJP	NA	NA
+PJ112121	GCDHHHHH 	C39H50N18O11S	978.3628	NA	PeJP	NA	NA
+PJ112122	CCHHFFW 	C47H54N12O8S2	978.3629	NA	PeJP	NA	NA
+PJ112123	GSSNNDDDR 	C34H54N14O20	978.3639	NA	PeJP	NA	NA
+PJ112124	GGGGGGGGGGSSSE 	C34H54N14O20	978.364	NA	PeJP	NA	NA
+PJ112125	GSTEEMYY 	C42H58N8O17S	978.3641	NA	PeJP	NA	NA
+PJ112126	PCCDDDRR 	C35H58N14O15S2	978.3648	NA	PeJP	NA	NA
+PJ112127	GSPMMMYY 	C43H62N8O12S3	978.365	NA	PeJP	NA	NA
+PJ112128	SSSSCHWW 	C43H54N12O13S	978.3654	NA	PeJP	NA	NA
+PJ112129	GGGGGGDMWW 	C43H54N12O13S	978.3655	NA	PeJP	NA	NA
+PJ112130	GCNMMMHR 	C36H62N14O10S4	978.3657	NA	PeJP	NA	NA
+PJ112131	SVEEEEEE 	C38H58N8O22	978.3666	NA	PeJP	NA	NA
+PJ112132	PVDEEEMM 	C39H62N8O17S2	978.3675	NA	PeJP	NA	NA
+PJ112133	GTDDDDRW 	C39H54N12O18	978.3679	NA	PeJP	NA	NA
+PJ112134	GSDDDERW 	C39H54N12O18	978.368	NA	PeJP	NA	NA
+PJ112135	ATTMMMMY 	C40H66N8O12S4	978.3683	NA	PeJP	NA	NA
+PJ112136	GPCDDMRW 	C40H58N12O13S2	978.3688	NA	PeJP	NA	NA
+PJ112137	SPCDWWW 	C48H54N10O11S	978.3695	NA	PeJP	NA	NA
+MJ099049	Albomycin; Albomycin ?2, N-De-Me 	C36H58N12O18S	978.371273	NA	MeJP	NA	NA
+PJ112138	GNDEEEMR 	C36H58N12O18S	978.3713	NA	PeJP	NA	NA
+PJ112139	NNNEYYY 	C44H54N10O16	978.3719	NA	PeJP	NA	NA
+PJ112140	SNEEEWW 	C44H54N10O16	978.372	NA	PeJP	NA	NA
+PJ112141	GSPPCCEMR 	C37H62N12O13S3	978.3722	NA	PeJP	NA	NA
+PJ112142	GSSSCQHHH 	C37H54N16O14S	978.3727	NA	PeJP	NA	NA
+PJ112143	PNDMMWW 	C45H58N10O11S2	978.3728	NA	PeJP	NA	NA
+PJ112144	GGGGGCMFFF 	C45H58N10O11S2	978.3729	NA	PeJP	NA	NA
+PJ112145	QQEEEMW 	C41H58N10O16S	978.3753	NA	PeJP	NA	NA
+PJ112146	GGAAEEEMW 	C41H58N10O16S	978.3754	NA	PeJP	NA	NA
+PJ112147	GDEFYYW 	C49H54N8O14	978.376	NA	PeJP	NA	NA
+PJ112148	GGGGGGGGCNMR 	C34H58N16O14S2	978.3761	NA	PeJP	NA	NA
+PJ112149	SPPCQMMW 	C42H62N10O11S3	978.3762	NA	PeJP	NA	NA
+PJ112150	GPCNEHHW 	C42H54N14O12S	978.3767	NA	PeJP	NA	NA
+PJ112151	MMYYWW 	C50H58N8O9S2	978.3768	NA	PeJP	NA	NA
+PJ112152	ACCCMHRR 	C35H62N16O9S4	978.3769	NA	PeJP	NA	NA
+PJ112153	SSSSSSSSTY 	C37H58N10O21	978.3778	NA	PeJP	NA	NA
+PJ112154	GGSDKEEEE 	C37H58N10O21	978.3779	NA	PeJP	NA	NA
+PJ112155	SSSSSCKMY 	C38H62N10O16S2	978.3787	NA	PeJP	NA	NA
+PJ112156	GSSSNNNNW 	C38H54N14O17	978.3792	NA	PeJP	NA	NA
+PJ112157	STEMYYW 	C46H58N8O14S	978.3793	NA	PeJP	NA	NA
+PJ112158	GGPEMYYY 	C46H58N8O14S	978.3794	NA	PeJP	NA	NA
+PJ112159	TCCCKKMY 	C39H66N10O11S4	978.3796	NA	PeJP	NA	NA
+PJ112160	SSTCCHRW 	C39H58N14O12S2	978.38	NA	PeJP	NA	NA
+PJ112161	GGGGSPCCRW 	C39H58N14O12S2	978.3801	NA	PeJP	NA	NA
+PJ112162	AMMMFYW 	C47H62N8O9S3	978.3802	NA	PeJP	NA	NA
+PJ112163	GCNQWWW 	C47H54N12O10S	978.3807	NA	PeJP	NA	NA
+PJ112164	SSTTEEYY 	C42H58N8O19	978.3818	NA	PeJP	NA	NA
+PJ112165	SPPEEEEY 	C42H58N8O19	978.3819	NA	PeJP	NA	NA
+PJ112166	SSSSSCEHR 	C35H58N14O17S	978.3825	NA	PeJP	NA	NA
+PJ112167	GDDDDMRR 	C35H58N14O17S	978.3826	NA	PeJP	NA	NA
+PJ112168	DKEMMYY 	C43H62N8O14S2	978.3827	NA	PeJP	NA	NA
+PJ112169	SDDDRWW 	C43H54N12O15	978.3832	NA	PeJP	NA	NA
+PJ112170	SSCQMMHR 	C36H62N14O12S3	978.3834	NA	PeJP	NA	NA
+PJ112171	AAMMMMFF 	C44H66N8O9S4	978.3836	NA	PeJP	NA	NA
+PJ112172	PCCERWW 	C44H58N12O10S2	978.3841	NA	PeJP	NA	NA
+PJ112173	ALEEEEEM 	C39H62N8O19S	978.3852	NA	PeJP	NA	NA
+PJ112174	TTTTMMMY 	C40H66N8O14S3	978.3861	NA	PeJP	NA	NA
+PJ112175	NDEEMRW 	C40H58N12O15S	978.3866	NA	PeJP	NA	NA
+PJ112176	GSEEWWW 	C48H54N10O13	978.3872	NA	PeJP	NA	NA
+PJ112177	SPPCCMRW 	C41H62N12O10S3	978.3874	NA	PeJP	NA	NA
+PJ112178	GPPPCCCFR 	C41H62N12O10S3	978.3875	NA	PeJP	NA	NA
+PJ112179	GCNQHHHF 	C41H54N16O11S	978.3879	NA	PeJP	NA	NA
+PJ112180	APCMWWW 	C49H58N10O8S2	978.3881	NA	PeJP	NA	NA
+PJ112181	SSNEEEER 	C36H58N12O20	978.3891	NA	PeJP	NA	NA
+PJ112182	SPNDEMMR 	C37H62N12O15S2	978.3899	NA	PeJP	NA	NA
+PJ112183	PCDDDKMR 	C37H62N12O15S2	978.39	NA	PeJP	NA	NA
+PJ112184	GNDDEHHR 	C37H54N16O16	978.3904	NA	PeJP	NA	NA
+PJ112185	AQEEMWW 	C45H58N10O13S	978.3906	NA	PeJP	NA	NA
+PJ112186	PPCNMMMR 	C38H66N12O10S4	978.3908	NA	PeJP	NA	NA
+PJ112187	DFYYWW 	C53H54N8O11	978.3912	NA	PeJP	NA	NA
+PJ112188	SCCQKHHH 	C38H58N16O11S2	978.3913	NA	PeJP	NA	NA
+PJ112189	PMMMHFW 	C46H62N10O8S3	978.3915	NA	PeJP	NA	NA
+PJ112190	PCNHHWW 	C46H54N14O9S	978.3919	NA	PeJP	NA	NA
+PJ112191	GSDKEEEW 	C41H58N10O18	978.3931	NA	PeJP	NA	NA
+PJ112192	SCNNDDRR 	C34H58N16O16S	978.3938	NA	PeJP	NA	NA
+PJ112193	SEMMRYY 	C42H62N10O13S2	978.3939	NA	PeJP	NA	NA
+PJ112194	GPTQEMMW 	C42H62N10O13S2	978.394	NA	PeJP	NA	NA
+PJ112195	GNNNNNFW 	C42H54N14O14	978.3944	NA	PeJP	NA	NA
+PJ112196	GGGGGGGNNFW 	C42H54N14O14	978.3945	NA	PeJP	NA	NA
+PJ112197	GPMYYYW 	C50H58N8O11S	978.3946	NA	PeJP	NA	NA
+PJ112198	SSCCMHRR 	C35H62N16O11S3	978.3947	NA	PeJP	NA	NA
+PJ112199	LMMMMHW 	C43H66N10O8S4	978.3948	NA	PeJP	NA	NA
+PJ112200	CCQHFRW 	C43H58N14O9S2	978.3953	NA	PeJP	NA	NA
+PJ112201	GQKEEEEM 	C38H62N10O18S	978.3965	NA	PeJP	NA	NA
+PJ112202	VNEEYYY 	C46H58N8O16	978.3971	NA	PeJP	NA	NA
+PJ112203	STLEMMMH 	C39H66N10O13S3	978.3973	NA	PeJP	NA	NA
+PJ112204	GGGGPLEMMM 	C39H66N10O13S3	978.3974	NA	PeJP	NA	NA
+PJ112205	CDDERRW 	C39H58N14O14S	978.3978	NA	PeJP	NA	NA
+PJ112206	SVMMYYW 	C47H62N8O11S2	978.398	NA	PeJP	NA	NA
+PJ112207	SSNNWWW 	C47H54N12O12	978.3984	NA	PeJP	NA	NA
+PJ112208	GGSSNWWW 	C47H54N12O12	978.3985	NA	PeJP	NA	NA
+PJ112209	GVMMMHHH 	C40H62N14O9S3	978.3987	NA	PeJP	NA	NA
+PJ112210	GSMHHHHH 	C40H54N18O10S	978.3992	NA	PeJP	NA	NA
+PJ112211	SSDDDERR 	C35H58N14O19	978.4003	NA	PeJP	NA	NA
+PJ112212	SSSLEMYY 	C43H62N8O16S	978.4005	NA	PeJP	NA	NA
+PJ112213	SPCDDMRR 	C36H62N14O14S2	978.4012	NA	PeJP	NA	NA
+PJ112214	LQMMMYY 	C44H66N8O11S3	978.4013	NA	PeJP	NA	NA
+PJ112215	GALMMMYY 	C44H66N8O11S3	978.4014	NA	PeJP	NA	NA
+PJ112216	GDEMRWW 	C44H58N12O12S	978.4018	NA	PeJP	NA	NA
+PJ112217	GGGGGGGPMFW 	C44H58N12O12S	978.4019	NA	PeJP	NA	NA
+PJ112218	ACCKMMHR 	C37H66N14O9S4	978.4021	NA	PeJP	NA	NA
+PJ112219	SEWWWW 	C52H54N10O10	978.4025	NA	PeJP	NA	NA
+PJ112220	TTLEEEEE 	C39H62N8O21	978.403	NA	PeJP	NA	NA
+PJ112221	PTLEEEMM 	C40H66N8O16S2	978.4039	NA	PeJP	NA	NA
+PJ112222	GSSEEERW 	C40H58N12O17	978.4043	NA	PeJP	NA	NA
+PJ112223	GGGGGGGAPTEY 	C40H58N12O17	978.4044	NA	PeJP	NA	NA
+PJ112224	PPLEMMMM 	C41H70N8O11S4	978.4047	NA	PeJP	NA	NA
+PJ112225	GSPDMMRW 	C41H62N12O12S2	978.4052	NA	PeJP	NA	NA
+PJ112226	NDDHHRW 	C41H54N16O13	978.4057	NA	PeJP	NA	NA
+PJ112227	AAEMWWW 	C49H58N10O10S	978.4058	NA	PeJP	NA	NA
+PJ112228	GVDMWWW 	C49H58N10O10S	978.4059	NA	PeJP	NA	NA
+PJ112229	GTQEEEMR 	C37H62N12O17S	978.4077	NA	PeJP	NA	NA
+PJ112230	TTQEEWW 	C45H58N10O15	978.4083	NA	PeJP	NA	NA
+PJ112231	SDKEEWW 	C45H58N10O15	978.4084	NA	PeJP	NA	NA
+PJ112232	GPQEMMMR 	C38H66N12O12S3	978.4086	NA	PeJP	NA	NA
+PJ112233	SPCNEHHR 	C38H58N16O13S	978.409	NA	PeJP	NA	NA
+PJ112234	GGGGAQQMHH 	C38H58N16O13S	978.4091	NA	PeJP	NA	NA
+PJ112235	PTQMMWW 	C46H62N10O10S2	978.4092	NA	PeJP	NA	NA
+PJ112236	GQEHHWW 	C46H54N14O11	978.4097	NA	PeJP	NA	NA
+PJ112237	MFFYWW 	C54H58N8O8S	978.4099	NA	PeJP	NA	NA
+PJ112238	SSSSNNNNR 	C34H58N16O18	978.4115	NA	PeJP	NA	NA
+PJ112239	GGGGGGSSSSNR 	C34H58N16O18	978.4116	NA	PeJP	NA	NA
+PJ112240	QKEEEMW 	C42H62N10O15S	978.4117	NA	PeJP	NA	NA
+PJ112241	GVEYYYW 	C50H58N8O13	978.4124	NA	PeJP	NA	NA
+PJ112242	GPVQMMMW 	C43H66N10O10S3	978.4126	NA	PeJP	NA	NA
+PJ112243	SCNQRWW 	C43H58N14O11S	978.413	NA	PeJP	NA	NA
+PJ112244	GGSCQRWW 	C43H58N14O11S	978.4131	NA	PeJP	NA	NA
+PJ112245	AMMFFFW 	C51H62N8O8S2	978.4132	NA	PeJP	NA	NA
+PJ112246	STQKEEEE 	C38H62N10O20	978.4142	NA	PeJP	NA	NA
+PJ112247	SPQKEEMM 	C39H66N10O15S2	978.4151	NA	PeJP	NA	NA
+PJ112248	GNNQQQQY 	C39H58N14O16	978.4155	NA	PeJP	NA	NA
+PJ112249	SSSNNERW 	C39H58N14O16	978.4156	NA	PeJP	NA	NA
+PJ112250	PDKMYYY 	C47H62N8O13S	978.4157	NA	PeJP	NA	NA
+PJ112251	PPPDEMFF 	C47H62N8O13S	978.4158	NA	PeJP	NA	NA
+PJ112252	SVLMMMMH 	C40H70N10O10S4	978.416	NA	PeJP	NA	NA
+PJ112253	NNQMMRW 	C40H62N14O11S2	978.4164	NA	PeJP	NA	NA
+PJ112254	GGGGGAMMRW 	C40H62N14O11S2	978.4165	NA	PeJP	NA	NA
+PJ112255	SSTHHHHH 	C40H54N18O12	978.4169	NA	PeJP	NA	NA
+PJ112256	DMRWWW 	C48H58N12O9S	978.4171	NA	PeJP	NA	NA
+PJ112257	TTTTTEYY 	C43H62N8O18	978.4182	NA	PeJP	NA	NA
+PJ112258	APLEEEEY 	C43H62N8O18	978.4183	NA	PeJP	NA	NA
+PJ112259	GSDEEMRR 	C36H62N14O16S	978.4189	NA	PeJP	NA	NA
+PJ112260	GGGGGGTTEMR 	C36H62N14O16S	978.419	NA	PeJP	NA	NA
+PJ112261	GTTLMMYY 	C44H66N8O13S2	978.4191	NA	PeJP	NA	NA
+PJ112262	SSEERWW 	C44H58N12O14	978.4196	NA	PeJP	NA	NA
+PJ112263	GPCEMMRR 	C37H66N14O11S3	978.4198	NA	PeJP	NA	NA
+PJ112264	GNNNMHHR 	C37H58N18O12S	978.4203	NA	PeJP	NA	NA
+PJ112265	PTCMRWW 	C45H62N12O9S2	978.4205	NA	PeJP	NA	NA
+PJ112266	PEHHHHW 	C45H54N16O10	978.4209	NA	PeJP	NA	NA
+PJ112267	CLWWWW 	C53H58N10O7S	978.4211	NA	PeJP	NA	NA
+PJ112268	SLLEEEEM 	C40H66N8O18S	978.4216	NA	PeJP	NA	NA
+PJ112269	PVLEEMMM 	C41H70N8O13S3	978.4225	NA	PeJP	NA	NA
+PJ112270	TQEEMRW 	C41H62N12O14S	978.4229	NA	PeJP	NA	NA
+PJ112271	GATEEMRW 	C41H62N12O14S	978.423	NA	PeJP	NA	NA
+PJ112272	ATTEWWW 	C49H58N10O12	978.4236	NA	PeJP	NA	NA
+PJ112273	GCCNDRRR 	C34H62N18O12S2	978.4237	NA	PeJP	NA	NA
+PJ112274	PQMMMRW 	C42H66N12O9S3	978.4238	NA	PeJP	NA	NA
+PJ112275	GSPCHHRW 	C42H58N16O10S	978.4243	NA	PeJP	NA	NA
+PJ112276	QHHWWW 	C50H54N14O8	978.4249	NA	PeJP	NA	NA
+PJ112277	GAHHWWW 	C50H54N14O8	978.425	NA	PeJP	NA	NA
+PJ112278	SSSSPTEER 	C37H62N12O19	978.4254	NA	PeJP	NA	NA
+PJ112279	SSDKEEER 	C37H62N12O19	978.4255	NA	PeJP	NA	NA
+PJ112280	GVQEEMMR 	C38H66N12O14S2	978.4263	NA	PeJP	NA	NA
+PJ112281	GGGGGGVKEMM 	C38H66N12O14S2	978.4264	NA	PeJP	NA	NA
+PJ112282	GNNNNQRY 	C38H58N16O15	978.4268	NA	PeJP	NA	NA
+PJ112283	AKEEMWW 	C46H62N10O12S	978.427	NA	PeJP	NA	NA
+PJ112284	ACKKMMMH 	C39H70N12O9S4	978.4272	NA	PeJP	NA	NA
+PJ112285	VYYYWW 	C54H58N8O10	978.4276	NA	PeJP	NA	NA
+PJ112286	CNNMRRW 	C39H62N16O10S2	978.4277	NA	PeJP	NA	NA
+PJ112287	CLHHHFW 	C47H58N14O8S	978.4283	NA	PeJP	NA	NA
+PJ112288	GTTKEEEW 	C42H62N10O17	978.4295	NA	PeJP	NA	NA
+PJ112289	SSNNDMRR 	C35H62N16O15S	978.4302	NA	PeJP	NA	NA
+PJ112290	SSPLQMMW 	C43H66N10O12S2	978.4303	NA	PeJP	NA	NA
+PJ112291	GPTKEMMW 	C43H66N10O12S2	978.4304	NA	PeJP	NA	NA
+PJ112292	GSSSNRWW 	C43H58N14O13	978.4308	NA	PeJP	NA	NA
+PJ112293	GLMFYYW 	C51H62N8O10S	978.431	NA	PeJP	NA	NA
+PJ112294	GGPCCCKRR 	C36H66N16O10S3	978.4311	NA	PeJP	NA	NA
+PJ112295	CCKHFRW 	C44H62N14O8S2	978.4317	NA	PeJP	NA	NA
+PJ112296	QHHHHHF 	C44H54N18O9	978.4322	NA	PeJP	NA	NA
+PJ112297	GSPTTKEEM 	C39H66N10O17S	978.4328	NA	PeJP	NA	NA
+PJ112298	GKKEEEEM 	C39H66N10O17S	978.4329	NA	PeJP	NA	NA
+MJ099050	Microsclerodermin A; 46-Deoxy 	C47H62N8O15	978.433463	NA	MeJP	NA	NA
+PJ112299	VDKEYYY 	C47H62N8O15	978.4335	NA	PeJP	NA	NA
+PJ112300	PVNKEMMM 	C40H70N10O12S3	978.4337	NA	PeJP	NA	NA
+PJ112301	SDEMRRW 	C40H62N14O13S	978.4342	NA	PeJP	NA	NA
+PJ112302	PKMMFYY 	C48H66N8O10S2	978.4344	NA	PeJP	NA	NA
+PJ112303	GPDRYWW 	C48H58N12O11	978.4348	NA	PeJP	NA	NA
+PJ112304	GGGAAQFWW 	C48H58N12O11	978.4349	NA	PeJP	NA	NA
+PJ112305	PCMMRRW 	C41H66N14O8S3	978.4351	NA	PeJP	NA	NA
+PJ112306	SSSEEERR 	C36H62N14O18	978.4367	NA	PeJP	NA	NA
+PJ112307	STTTLMYY 	C44H66N8O15S	978.4369	NA	PeJP	NA	NA
+PJ112308	VTNNNMMR 	C37H66N14O13S2	978.4375	NA	PeJP	NA	NA
+PJ112309	QEEMMRR 	C37H66N14O13S2	978.4376	NA	PeJP	NA	NA
+PJ112310	LKMMMYY 	C45H70N8O10S3	978.4377	NA	PeJP	NA	NA
+PJ112311	GSDDHHRR 	C37H58N18O14	978.438	NA	PeJP	NA	NA
+PJ112312	GGGGGGSTHHR 	C37H58N18O14	978.4381	NA	PeJP	NA	NA
+PJ112313	ATEMRWW 	C45H62N12O11S	978.4382	NA	PeJP	NA	NA
+PJ112314	AAPYWWW 	C53H58N10O9	978.4389	NA	PeJP	NA	NA
+PJ112315	VVLEEEMM 	C41H70N8O15S2	978.4402	NA	PeJP	NA	NA
+PJ112316	LLLDDEMM 	C41H70N8O15S2	978.4403	NA	PeJP	NA	NA
+PJ112317	GTTTEERW 	C41H62N12O16	978.4407	NA	PeJP	NA	NA
+PJ112318	VQEMMRW 	C42H66N12O11S2	978.4416	NA	PeJP	NA	NA
+PJ112319	SQEHHRW 	C42H58N16O12	978.442	NA	PeJP	NA	NA
+PJ112320	GGTEHHRW 	C42H58N16O12	978.4421	NA	PeJP	NA	NA
+PJ112321	GTLMWWW 	C50H62N10O9S	978.4422	NA	PeJP	NA	NA
+PJ112322	FFFFWW 	C58H58N8O7	978.4429	NA	PeJP	NA	NA
+PJ112323	GTKEEEMR 	C38H66N12O16S	978.4441	NA	PeJP	NA	NA
+PJ112324	TTKEEWW 	C46H62N10O14	978.4447	NA	PeJP	NA	NA
+PJ112325	GGAALEEFW 	C46H62N10O14	978.4448	NA	PeJP	NA	NA
+PJ112326	GPKEMMMR 	C39H70N12O11S3	978.445	NA	PeJP	NA	NA
+PJ112327	GSSCQRRW 	C39H62N16O12S	978.4454	NA	PeJP	NA	NA
+PJ112328	GGGGGGPPMHR 	C39H62N16O12S	978.4455	NA	PeJP	NA	NA
+PJ112329	PTKMMWW 	C47H66N10O9S2	978.4456	NA	PeJP	NA	NA
+PJ112330	GNNFRWW 	C47H58N14O10	978.4461	NA	PeJP	NA	NA
+PJ112331	GSSSSNERR 	C35H62N16O17	978.4479	NA	PeJP	NA	NA
+PJ112332	KKEEEMW 	C43H66N10O14S	978.4481	NA	PeJP	NA	NA
+PJ112333	ATLYYYW 	C51H62N8O12	978.4487	NA	PeJP	NA	NA
+PJ112334	GGPLFYYY 	C51H62N8O12	978.4488	NA	PeJP	NA	NA
+PJ112335	GPVKMMMW 	C44H70N10O9S3	978.449	NA	PeJP	NA	NA
+PJ112336	SCNKRWW 	C44H62N14O10S	978.4494	NA	PeJP	NA	NA
+PJ112337	GGSCKRWW 	C44H62N14O10S	978.4495	NA	PeJP	NA	NA
+PJ112338	APPHWWW 	C52H58N12O8	978.4501	NA	PeJP	NA	NA
+PJ112339	STKKEEEE 	C39H66N10O19	978.4506	NA	PeJP	NA	NA
+PJ112340	SPKKEEMM 	C40H70N10O14S2	978.4515	NA	PeJP	NA	NA
+PJ112341	SSSNDKRW 	C40H62N14O15	978.4519	NA	PeJP	NA	NA
+PJ112342	GGSSSDKRW 	C40H62N14O15	978.452	NA	PeJP	NA	NA
+PJ112343	VLQMYYY 	C48H66N8O12S	978.4521	NA	PeJP	NA	NA
+PJ112344	AEMMRRW 	C41H66N14O10S2	978.4528	NA	PeJP	NA	NA
+PJ112345	GVQQHHHH 	C41H58N18O11	978.4533	NA	PeJP	NA	NA
+PJ112346	GPMFRWW 	C49H62N12O8S	978.4535	NA	PeJP	NA	NA
+PJ112347	SPLLEEEY 	C44H66N8O17	978.4546	NA	PeJP	NA	NA
+PJ112348	GTTEEMRR 	C37H66N14O15S	978.4553	NA	PeJP	NA	NA
+PJ112349	PPVLEMMY 	C45H70N8O12S2	978.4555	NA	PeJP	NA	NA
+PJ112350	TTTERWW 	C45H62N12O13	978.456	NA	PeJP	NA	NA
+PJ112351	GPTMMMRR 	C38H70N14O10S3	978.4562	NA	PeJP	NA	NA
+PJ112352	NEMHHRR 	C38H62N18O11S	978.4567	NA	PeJP	NA	NA
+PJ112353	GLMMRWW 	C46H66N12O8S2	978.4568	NA	PeJP	NA	NA
+PJ112354	GTHHRWW 	C46H58N16O9	978.4573	NA	PeJP	NA	NA
+PJ112355	TKEEMRW 	C42H66N12O13S	978.4593	NA	PeJP	NA	NA
+PJ112356	GGGSKKEMW 	C42H66N12O13S	978.4594	NA	PeJP	NA	NA
+PJ112357	STTLWWW 	C50H62N10O11	978.46	NA	PeJP	NA	NA
+PJ112358	PKMMMRW 	C43H70N12O8S3	978.4602	NA	PeJP	NA	NA
+PJ112359	VNMHHRW 	C43H62N16O9S	978.4607	NA	PeJP	NA	NA
+PJ112360	KHHWWW 	C51H58N14O7	978.4613	NA	PeJP	NA	NA
+PJ112361	STTKEEER 	C38H66N12O18	978.4618	NA	PeJP	NA	NA
+PJ112362	GGGSSTKKEE 	C38H66N12O18	978.4619	NA	PeJP	NA	NA
+PJ112363	GVKEEMMR 	C39H70N12O13S2	978.4627	NA	PeJP	NA	NA
+PJ112364	SSSSNRRW 	C39H62N16O14	978.4632	NA	PeJP	NA	NA
+PJ112365	ALMRYYY 	C47H66N10O11S	978.4633	NA	PeJP	NA	NA
+PJ112366	SLKEMWW 	C47H66N10O11S	978.4634	NA	PeJP	NA	NA
+PJ112367	GLFFFYW 	C55H62N8O9	978.464	NA	PeJP	NA	NA
+PJ112368	CCQKRRW 	C40H66N16O9S2	978.4641	NA	PeJP	NA	NA
+PJ112369	QQHHHHR 	C40H58N20O10	978.4645	NA	PeJP	NA	NA
+PJ112370	APTTTTTTW 	C43H66N10O16	978.4658	NA	PeJP	NA	NA
+PJ112371	SSTLKEEW 	C43H66N10O16	978.4659	NA	PeJP	NA	NA
+PJ112372	SSSQQMRR 	C36H66N16O14S	978.4665	NA	PeJP	NA	NA
+PJ112373	GGSSTQMRR 	C36H66N16O14S	978.4666	NA	PeJP	NA	NA
+PJ112374	AALKEMMW 	C44H70N10O11S2	978.4667	NA	PeJP	NA	NA
+PJ112375	GGGGPLLMMF 	C44H70N10O11S2	978.4668	NA	PeJP	NA	NA
+PJ112376	SPDRRYW 	C44H62N14O12	978.4672	NA	PeJP	NA	NA
+PJ112377	PKMFFFY 	C52H66N8O9S	978.4674	NA	PeJP	NA	NA
+PJ112378	CDHHRRR 	C37H62N20O10S	978.4679	NA	PeJP	NA	NA
+PJ112379	KHHHHHF 	C45H58N18O8	978.4686	NA	PeJP	NA	NA
+PJ112380	SVKKEEEM 	C40H70N10O16S	978.4692	NA	PeJP	NA	NA
+PJ112381	TLKEYYY 	C48H66N8O14	978.4699	NA	PeJP	NA	NA
+PJ112382	PVDKKMMM 	C41H74N10O11S3	978.4701	NA	PeJP	NA	NA
+PJ112383	TTEMRRW 	C41H66N14O12S	978.4706	NA	PeJP	NA	NA
+PJ112384	LKMMFFY 	C49H70N8O9S2	978.4708	NA	PeJP	NA	NA
+PJ112385	APTRYWW 	C49H62N12O10	978.4712	NA	PeJP	NA	NA
+PJ112386	GMHHRRW 	C42H62N18O8S	978.4719	NA	PeJP	NA	NA
+PJ112387	STTTEERR 	C37H66N14O17	978.4731	NA	PeJP	NA	NA
+PJ112388	PVVLEEMY 	C45H70N8O14S	978.4733	NA	PeJP	NA	NA
+PJ112389	KEEMMRR 	C38H70N14O12S2	978.4739	NA	PeJP	NA	NA
+PJ112390	GSLEMMRR 	C38H70N14O12S2	978.474	NA	PeJP	NA	NA
+PJ112391	PPLLMMMF 	C46H74N8O9S3	978.4741	NA	PeJP	NA	NA
+PJ112392	GSTEHHRR 	C38H62N18O13	978.4744	NA	PeJP	NA	NA
+PJ112393	STLMRWW 	C46H66N12O10S	978.4746	NA	PeJP	NA	NA
+PJ112394	AALFWWW 	C54H62N10O8	978.4752	NA	PeJP	NA	NA
+PJ112395	GVVFWWW 	C54H62N10O8	978.4753	NA	PeJP	NA	NA
+PJ112396	TLLLEEMM 	C42H74N8O14S2	978.4766	NA	PeJP	NA	NA
+PJ112397	SSTTLERW 	C42H66N12O15	978.4771	NA	PeJP	NA	NA
+PJ112398	PLLLMMMM 	C43H78N8O9S4	978.4775	NA	PeJP	NA	NA
+PJ112399	SSSCQRRR 	C35H66N18O13S	978.4778	NA	PeJP	NA	NA
+PJ112400	VKEMMRW 	C43H70N12O10S2	978.478	NA	PeJP	NA	NA
+PJ112401	GNQRRYW 	C43H62N16O11	978.4784	NA	PeJP	NA	NA
+PJ112402	GGGGARRYW 	C43H62N16O11	978.4785	NA	PeJP	NA	NA
+PJ112403	PCLKFWW 	C51H66N10O8S	978.4786	NA	PeJP	NA	NA
+PJ112404	SSLKEEMR 	C39H70N12O15S	978.4805	NA	PeJP	NA	NA
+PJ112405	SSSTLLWW 	C47H66N10O13	978.4811	NA	PeJP	NA	NA
+PJ112406	SPVKMMMR 	C40H74N12O10S3	978.4813	NA	PeJP	NA	NA
+PJ112407	AAAVVMMMR 	C40H74N12O10S3	978.4814	NA	PeJP	NA	NA
+PJ112408	GSSCKRRW 	C40H66N16O11S	978.4818	NA	PeJP	NA	NA
+PJ112409	VVKMMWW 	C48H70N10O8S2	978.482	NA	PeJP	NA	NA
+PJ112410	EFRRWW 	C48H62N14O9	978.4825	NA	PeJP	NA	NA
+PJ112411	GSSSSDKRR 	C36H66N16O16	978.4843	NA	PeJP	NA	NA
+PJ112412	ATTLKEMW 	C44H70N10O13S	978.4845	NA	PeJP	NA	NA
+PJ112413	PVKFYYY 	C52H66N8O11	978.4851	NA	PeJP	NA	NA
+PJ112414	TEMMRRR 	C37H70N16O11S2	978.4852	NA	PeJP	NA	NA
+PJ112415	APMRRYW 	C45H66N14O9S	978.4858	NA	PeJP	NA	NA
+PJ112416	VFRWWW 	C53H62N12O7	978.4865	NA	PeJP	NA	NA
+PJ112417	SSSSLLKEE 	C40H70N10O18	978.487	NA	PeJP	NA	NA
+PJ112418	ALKKEEMM 	C41H74N10O13S2	978.4879	NA	PeJP	NA	NA
+8274	Antioxidative peptide	LPTSEAAKY	978.488	NA  ;SYN:(2S,5R)-2,6-diamino-5-hydroxyhexanoic acid; (2S,5R)-5-hydroxylysine; 5-hydroxy-L-lysine; Alpha,epsilon-diamino-delta-hydroxycaproic acid; Delta-DL-hydroxylysine; erythro-5-hydroxy-L-lysine; Hydroxylysine; hydroxy-Lysine; L-normal-5-hydroxylysine; procollagen 5-hydroxy-L-lysine; Procollagen L-erythro-5-hydroxy-L-lysine; (5R)-5-hydroxy-L-lysine; L-d-Hydroxylysine; 5-hydroxy-Lysine; d-Hydroxy-L-lysine; d-Hydroxylysine; L-delta-Hydroxylysine; delta-Hydroxy-L-lysine; delta-Hydroxylysine; (2S,5R)-2,6-diamino-5-hydroxyhexanoate; Alpha,epsilon-diamino-delta-hydroxycaproateH2Blood; Urine	Inhouse_peptide	NA	peptide
+8277	Anticancer peptide	LPTSEAAKY	978.488	NA  ;SYN:(-)-2-Aminobutyric acid; (2S)-2-aminobutanoic acid; (S)-2-Aminobutanoate; (S)-2-Aminobutanoic acid; (S)-2-Aminobutyric acid; 2S-amino-butanoic acid; 2-Aminobutanoic acid; Alpha-aminobutyric acid; L-(+)-2-aminobutyric acid; L-2-Aminobuttersaeure; L-2-Aminobutyric acid; L-alpha-amino-n-butyric acid; L-alpha-aminobutyrate; L-butyrine; S-Butyrine; (S)-2-amino-Butanoic acid; (+)-2-Aminobutanoic acid; (+)-2-Aminobutyric acid; (+)-alpha-Aminobutyric acid; (S)-(+)-alpha-Aminobutyric acid; L-2-Amino-n-butyric acid; L-a-aminobutyric acid; L-Ethylglycine; (2S)-2-aminobutanoate; 2S-amino-butanoate; 2-Aminobutanoate; (S)-2-amino-Butanoate; (+)-2-Aminobutanoate; L-alpha-aminobutyric acid; 2-aminobutyrateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ112419	SSSTQKRW 	C41H66N14O14	978.4883	NA	PeJP	NA	NA
+PJ112420	GGGGGVKERY 	C41H66N14O14	978.4884	NA	PeJP	NA	NA
+PJ112421	VLKMYYY 	C49H70N8O11S	978.4885	NA	PeJP	NA	NA
+PJ112422	SLMMRRW 	C42H70N14O9S2	978.4892	NA	PeJP	NA	NA
+PJ112423	STHHRRW 	C42H62N18O10	978.4897	NA	PeJP	NA	NA
+PJ112424	ALLLEEEY 	C45H70N8O16	978.491	NA	PeJP	NA	NA
+PJ112425	SSTLEMRR 	C38H70N14O14S	978.4917	NA	PeJP	NA	NA
+PJ112426	PVLLEMMF 	C46H74N8O11S2	978.4919	NA	PeJP	NA	NA
+PJ112427	ASSSKKWW 	C46H66N12O12	978.4923	NA	PeJP	NA	NA
+PJ112428	GSSTKKWW 	C46H66N12O12	978.4924	NA	PeJP	NA	NA
+PJ112429	AALMMMRR 	C39H74N14O9S3	978.4926	NA	PeJP	NA	NA
+PJ112430	CNQFRRR 	C39H66N18O10S	978.493	NA	PeJP	NA	NA
+PJ112431	GGCQFRRR 	C39H66N18O10S	978.4931	NA	PeJP	NA	NA
+PJ112432	LLHHHHW 	C47H62N16O8	978.4937	NA	PeJP	NA	NA
+PJ112433	VLLLEMMM 	C43H78N8O11S3	978.4953	NA	PeJP	NA	NA
+PJ112434	GSSSSSRRR 	C35H66N18O15	978.4955	NA	PeJP	NA	NA
+PJ112435	SSSLLMRW 	C43H70N12O12S	978.4957	NA	PeJP	NA	NA
+PJ112436	GGGGGGVLKMF 	C43H70N12O12S	978.4958	NA	PeJP	NA	NA
+PJ112437	SPLKYWW 	C51H66N10O10	978.4964	NA	PeJP	NA	NA
+PJ112438	PPMHRRW 	C44H66N16O8S	978.4971	NA	PeJP	NA	NA
+PJ112439	SSSSTLLER 	C39H70N12O17	978.4982	NA	PeJP	NA	NA
+PJ112440	ATLKEMMR 	C40H74N12O12S2	978.4991	NA	PeJP	NA	NA
+PJ112441	AEERRRY 	C40H66N16O13	978.4996	NA	PeJP	NA	NA
+PJ112442	CKKKFYY 	C48H70N10O10S	978.4997	NA	PeJP	NA	NA
+PJ112443	AAPLKMYW 	C48H70N10O10S	978.4998	NA	PeJP	NA	NA
+PJ112444	CCKKRRW 	C41H70N16O8S2	978.5004	NA	PeJP	NA	NA
+PJ112445	QKHHHHR 	C41H62N20O9	978.5009	NA	PeJP	NA	NA
+PJ112446	TTTTLKEW 	C44H70N10O15	978.5022	NA	PeJP	NA	NA
+PJ112447	SPVKKEEY 	C44H70N10O15	978.5023	NA	PeJP	NA	NA
+PJ112448	SSSQKMRR 	C37H70N16O13S	978.5029	NA	PeJP	NA	NA
+PJ112449	GTLLKMMW 	C45H74N10O10S2	978.5031	NA	PeJP	NA	NA
+PJ112450	GLERRYW 	C45H66N14O11	978.5036	NA	PeJP	NA	NA
+PJ112451	VMMMRRR 	C38H74N16O8S3	978.5038	NA	PeJP	NA	NA
+PJ112452	SMHHRRR 	C38H66N20O9S	978.5043	NA	PeJP	NA	NA
+PJ112453	TTLKKEEM 	C41H74N10O15S	978.5056	NA	PeJP	NA	NA
+PJ112454	PPVVLEYY 	C49H70N8O13	978.5063	NA	PeJP	NA	NA
+PJ112455	PTLKKMMM 	C42H78N10O10S3	978.5065	NA	PeJP	NA	NA
+PJ112456	GSSKKMRW 	C42H70N14O11S	978.507	NA	PeJP	NA	NA
+PJ112457	GVLRYWW 	C50H66N12O9	978.5076	NA	PeJP	NA	NA
+PJ112458	SSSSSLQKR 	C38H70N14O16	978.5094	NA	PeJP	NA	NA
+PJ112459	GSSSTKKER 	C38H70N14O16	978.5095	NA	PeJP	NA	NA
+PJ112460	PTLLLEMY 	C46H74N8O13S	978.5096	NA	PeJP	NA	NA
+PJ112461	VVLLEEMF 	C46H74N8O13S	978.5097	NA	PeJP	NA	NA
+PJ112462	ATTLMMRR 	C39H74N14O11S2	978.5103	NA	PeJP	NA	NA
+PJ112463	SNQRRRY 	C39H66N18O12	978.5108	NA	PeJP	NA	NA
+PJ112464	TCKKKWW 	C47H70N12O9S	978.511	NA	PeJP	NA	NA
+PJ112465	TTTTTLRW 	C43H70N12O14	978.5135	NA	PeJP	NA	NA
+PJ112466	SSSCKRRR 	C36H70N18O12S	978.5142	NA	PeJP	NA	NA
+PJ112467	QKKKMMW 	C44H74N12O9S2	978.5144	NA	PeJP	NA	NA
+PJ112468	GNKRRYW 	C44H66N16O10	978.5148	NA	PeJP	NA	NA
+PJ112469	SSSSVLLMR 	C40H74N12O14S	978.5168	NA	PeJP	NA	NA
+PJ112470	TTTLKEMR 	C40H74N12O14S	978.5169	NA	PeJP	NA	NA
+PJ112471	LLQKEYW 	C48H70N10O12	978.5175	NA	PeJP	NA	NA
+PJ112472	GLLKMMMR 	C41H78N12O9S3	978.5177	NA	PeJP	NA	NA
+PJ112473	PTMRRRY 	C41H70N16O10S	978.5182	NA	PeJP	NA	NA
+PJ112474	LRRYWW 	C49H66N14O8	978.5188	NA	PeJP	NA	NA
+PJ112475	PVVHRWW 	C49H66N14O8	978.5189	NA	PeJP	NA	NA
+PJ112476	GSSSTTKRR 	C37H70N16O15	978.5207	NA	PeJP	NA	NA
+PJ112477	STTLLKMW 	C45H74N10O12S	978.5209	NA	PeJP	NA	NA
+PJ112478	VLKFFYY 	C53H70N8O10	978.5215	NA	PeJP	NA	NA
+PJ112479	GTCKKMRR 	C38H74N16O10S2	978.5216	NA	PeJP	NA	NA
+PJ112480	GSPNHRRR 	C38H66N20O11	978.522	NA	PeJP	NA	NA
+PJ112481	GGGSPHRRR 	C38H66N20O11	978.5221	NA	PeJP	NA	NA
+PJ112482	ALMFRRW 	C46H70N14O8S	978.5222	NA	PeJP	NA	NA
+PJ112483	SSTTTLLKE 	C41H74N10O17	978.5234	NA	PeJP	NA	NA
+PJ112484	SSCCLLLLK 	C42H78N10O12S2	978.5242	NA	PeJP	NA	NA
+PJ112485	SLLKKEMM 	C42H78N10O12S2	978.5243	NA	PeJP	NA	NA
+PJ112486	SSSTKKRW 	C42H70N14O13	978.5247	NA	PeJP	NA	NA
+PJ112487	GGGGGGAALLLH 	C42H70N14O13	978.5248	NA	PeJP	NA	NA
+PJ112488	PPVLLMFY 	C50H74N8O10S	978.5249	NA	PeJP	NA	NA
+PJ112489	CKKKMRW 	C43H74N14O8S2	978.5256	NA	PeJP	NA	NA
+PJ112490	VQHHFRR 	C43H66N18O9	978.5261	NA	PeJP	NA	NA
+PJ112491	SLLLLEEY 	C46H74N8O15	978.5274	NA	PeJP	NA	NA
+PJ112492	TTTTLMRR 	C39H74N14O13S	978.5281	NA	PeJP	NA	NA
+PJ112493	PVLLLMMY 	C47H78N8O10S2	978.5283	NA	PeJP	NA	NA
+PJ112494	VVKERYW 	C47H70N12O11	978.5287	NA	PeJP	NA	NA
+PJ112495	GGGALKKYW 	C47H70N12O11	978.5288	NA	PeJP	NA	NA
+PJ112496	CNKFRRR 	C40H70N18O9S	978.5294	NA	PeJP	NA	NA
+PJ112497	GTTKKKMW 	C44H74N12O11S	978.5321	NA	PeJP	NA	NA
+PJ112498	ALLKYWW 	C52H70N10O9	978.5328	NA	PeJP	NA	NA
+PJ112499	SSTTTTLLR 	C40H74N12O16	978.5346	NA	PeJP	NA	NA
+PJ112500	STLLKMMR 	C41H78N12O11S2	978.5355	NA	PeJP	NA	NA
+PJ112501	TQQKRRY 	C41H70N16O12	978.5359	NA	PeJP	NA	NA
+PJ112502	SLERRRY 	C41H70N16O12	978.536	NA	PeJP	NA	NA
+PJ112503	AALLKMFW 	C49H74N10O9S	978.5361	NA	PeJP	NA	NA
+PJ112504	AHHFRRR 	C42H66N20O8	978.5373	NA	PeJP	NA	NA
+PJ112505	GLLKKEEY 	C45H74N10O14	978.5386	NA	PeJP	NA	NA
+PJ112506	GPPPLLKEE 	C45H74N10O14	978.5387	NA	PeJP	NA	NA
+PJ112507	SSSKKMRR 	C38H74N16O12S	978.5393	NA	PeJP	NA	NA
+PJ112508	PVVKKMMF 	C46H78N10O9S2	978.5395	NA	PeJP	NA	NA
+MJ099051	20,24-Epoxydammarane-3,12,23,25,28-pentol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside] 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099052	21,28-Epoxy-3,18,23,29-baccharanetetrol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099053	21-Baccharene-3,18,23,28,29-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 23-O-?-D-glucopyranoside 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099054	Antibiotic CP 63693 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099055	Antibiotic YL 02107Q-A; 6-Hydroxy 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099056	Cucurbit-5-ene-3,11,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 25-O-?-D-glucopyranoside 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099057	Cycloartane-3,6,16,24,25-pentol, 3,6,24-Tri-O-?-D-glucopyranoside 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099058	Dammar-23-ene-3,12,20,25-tetrol, 25-Hydroperoxide, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099059	Dammar-24-ene-1,3,12,20,26-pentol, 3-O-?-D-Glucopyranoside, 20-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranoside] 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099060	Dammar-25-ene-3,12,20,24-tetrol, 24-Hydroperoxide, 3-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099061	Mammoside I; 1?3''-Lactone, 2''',4''''-bis(2-methylpropanoyl) 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099062	Merremoside I; 1?3'' Lactone, 2''',4''''-bis(2-methylpropanoyl) 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099063	Merremoside I; 1?3'' Lactone, 3''',3''''-bis(2-methylpropanoyl) 	C48H82O20	978.539945	NA	MeJP	NA	NA
+MJ099064	Merremoside I; 1?3'' Lactone, 3''',4''''-bis(2-methylpropanoyl) 	C48H82O20	978.539945	NA	MeJP	NA	NA
+PJ112509	SVLRRYW 	C46H70N14O10	978.54	NA	PeJP	NA	NA
+7658	ACE inhibitor from as2-CN (174-811)	FALPQYLK	978.54	antioxidative	Inhouse_peptide	NA	peptide
+8151	peptide derived from bovine aS2-casein (174û181)	FALPQYLK	978.54	stimulating	Inhouse_peptide	NA	peptide
+PJ112510	SSSTLLLKM 	C42H78N10O14S	978.542	NA	PeJP	NA	NA
+PJ112511	PPTLLLYY 	C50H74N8O12	978.5427	NA	PeJP	NA	NA
+PJ112512	VVLKKMMM 	C43H82N10O9S3	978.5429	NA	PeJP	NA	NA
+PJ112513	LLQMRRY 	C43H74N14O10S	978.5433	NA	PeJP	NA	NA
+PJ112514	GALLMRRY 	C43H74N14O10S	978.5434	NA	PeJP	NA	NA
+PJ112515	GKKKFWW 	C51H70N12O8	978.544	NA	PeJP	NA	NA
+PJ112516	SSSSSLKKR 	C39H74N14O15	978.5458	NA	PeJP	NA	NA
+PJ112517	VVLLLEMY 	C47H78N8O12S	978.546	NA	PeJP	NA	NA
+PJ112518	GTKKKMMR 	C40H78N14O10S2	978.5467	NA	PeJP	NA	NA
+PJ112519	SNKRRRY 	C40H70N18O11	978.5472	NA	PeJP	NA	NA
+PJ112520	VLKMFRW 	C48H74N12O8S	978.5474	NA	PeJP	NA	NA
+PJ112521	STTTKKKW 	C44H74N12O13	978.5499	NA	PeJP	NA	NA
+PJ112522	KKKKMMW 	C45H78N12O8S2	978.5507	NA	PeJP	NA	NA
+PJ112523	PQKKHRW 	C45H70N16O9	978.5512	NA	PeJP	NA	NA
+PJ112524	STKKKKEM 	C41H78N12O13S	978.5532	NA	PeJP	NA	NA
+PJ112525	LLKKEYW 	C49H74N10O11	978.5539	NA	PeJP	NA	NA
+PJ112526	VVMRRRY 	C42H74N16O9S	978.5546	NA	PeJP	NA	NA
+PJ112527	SPLLKKMY 	C46H78N10O11S	978.5573	NA	PeJP	NA	NA
+PJ112528	PPVLLFFF 	C54H74N8O9	978.5579	NA	PeJP	NA	NA
+PJ112529	VQQHRRR 	C39H70N20O10	978.5584	NA	PeJP	NA	NA
+PJ112530	TTTTTTLLK 	C42H78N10O16	978.5598	NA	PeJP	NA	NA
+PJ112531	GTTLLRRY 	C43H74N14O12	978.5611	NA	PeJP	NA	NA
+PJ112532	PVLLLMFF 	C51H78N8O9S	978.5613	NA	PeJP	NA	NA
+PJ112533	VKHHFRR 	C44H70N18O8	978.5624	NA	PeJP	NA	NA
+PJ112534	STTKKKMR 	C40H78N14O12S	978.5645	NA	PeJP	NA	NA
+PJ112535	VLLLLMMF 	C48H82N8O9S2	978.5647	NA	PeJP	NA	NA
+PJ112536	TLLKRYW 	C48H74N12O10	978.5651	NA	PeJP	NA	NA
+PJ112537	GVLLKMRY 	C45H78N12O10S	978.5685	NA	PeJP	NA	NA
+PJ112538	AQHRRRR 	C38H70N22O9	978.5697	NA	PeJP	NA	NA
+PJ112539	SSSTTLKKK 	C41H78N12O15	978.571	NA	PeJP	NA	NA
+PJ112540	SVKKKKMM 	C42H82N12O10S2	978.5719	NA	PeJP	NA	NA
+PJ112541	TQKKRRY 	C42H74N16O11	978.5723	NA	PeJP	NA	NA
+PJ112542	GVLLEHRR 	C42H74N16O11	978.5724	NA	PeJP	NA	NA
+PJ112543	SVLLKKEY 	C46H78N10O13	978.575	NA	PeJP	NA	NA
+PJ112544	AKKKRYW 	C47H74N14O9	978.5764	NA	PeJP	NA	NA
+PJ112545	PVVLLLYY 	C51H78N8O11	978.579	NA	PeJP	NA	NA
+PJ112546	VVLLLEFF 	C51H78N8O11	978.5791	NA	PeJP	NA	NA
+PJ112547	LLKMRRY 	C44H78N14O9S	978.5797	NA	PeJP	NA	NA
+PJ112548	TLLLLLMY 	C48H82N8O11S	978.5824	NA	PeJP	NA	NA
+PJ112549	LLEHRRR 	C41H74N18O10	978.5836	NA	PeJP	NA	NA
+PJ112550	VTTQKKKF 	C45H78N12O12	978.5862	NA	PeJP	NA	NA
+PJ112551	SSLLLKRY 	C45H78N12O12	978.5863	NA	PeJP	NA	NA
+PJ112552	VLLHRRW 	C46H74N16O8	978.5876	NA	PeJP	NA	NA
+PJ112553	PPLLLLQW 	C50H78N10O10	978.5903	NA	PeJP	NA	NA
+PJ112554	ALLLKKMY 	C47H82N10O10S	978.5937	NA	PeJP	NA	NA
+PJ112555	AAPPRRRR 	C40H74N20O9	978.5948	NA	PeJP	NA	NA
+PJ112556	KKKKERY 	C44H78N14O11	978.5975	NA	PeJP	NA	NA
+MJ099065	Apramide A; 7',8'-Dihydro 	C52H82N8O8S	978.597632	NA	MeJP	NA	NA
+PJ112557	VKKKKYW 	C49H78N12O9	978.6015	NA	PeJP	NA	NA
+PJ112558	GLKKKKMF 	C46H82N12O9S	978.6049	NA	PeJP	NA	NA
+PJ112559	AKHRRRR 	C39H74N22O8	978.6061	NA	PeJP	NA	NA
+PJ112560	TKKKRRY 	C43H78N16O10	978.6087	NA	PeJP	NA	NA
+PJ112561	TTLLLKKY 	C47H82N10O12	978.6114	NA	PeJP	NA	NA
+PJ112562	LLKFFRR 	C48H78N14O8	978.6128	NA	PeJP	NA	NA
+PJ112563	VVLLLLFY 	C52H82N8O10	978.6154	NA	PeJP	NA	NA
+PJ112564	GPPLKRRR 	C42H78N18O9	978.62	NA	PeJP	NA	NA
+PJ112565	ATLKKKKY 	C46H82N12O11	978.6226	NA	PeJP	NA	NA
+PJ112566	GPPTLLLLR 	C46H82N12O11	978.6227	NA	PeJP	NA	NA
+PJ112567	PPLLLLKW 	C51H82N10O9	978.6267	NA	PeJP	NA	NA
+PJ112568	VKKHRRR 	C41H78N20O8	978.6312	NA	PeJP	NA	NA
+PJ112569	SLLLLKHR 	C45H82N14O10	978.6339	NA	PeJP	NA	NA
+PJ112570	PPVVKKRR 	C44H82N16O9	978.6451	NA	PeJP	NA	NA
+PJ112571	SPPVLLLLK 	C48H86N10O11	978.6478	NA	PeJP	NA	NA
+PJ112572	AAPLLLLLR 	C47H86N12O10	978.659	NA	PeJP	NA	NA
+PJ112573	PVLLLLRR 	C46H86N14O9	978.6703	NA	PeJP	NA	NA
+PJ112574	GPLLLLLLK 	C49H90N10O10	978.6842	NA	PeJP	NA	NA
+HMDB10545	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C65H102O6	978.767639	NA	HMDB2010	NA	NA
+HMDB10546	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C65H102O6	978.767639	NA	HMDB2010	NA	NA
+HMDB10556	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C65H102O6	978.767639	NA	HMDB2010	NA	NA
+PJ112575	CCCCCCCCH 	C30H49N11O10S8	979.143	NA	PeJP	NA	NA
+PJ112576	CCCCCCNND 	C30H49N11O14S6	979.1785	NA	PeJP	NA	NA
+PJ112577	SCCCCCDDE 	C31H49N9O17S5	979.185	NA	PeJP	NA	NA
+PJ112578	PCCCCCCDM 	C32H53N9O12S7	979.1859	NA	PeJP	NA	NA
+PJ112579	GCCCCDDMM 	C32H53N9O14S6	979.2037	NA	PeJP	NA	NA
+PJ112580	SCCCCCNNM 	C31H53N11O13S6	979.2149	NA	PeJP	NA	NA
+PJ112581	GCCCCDDDF 	C35H49N9O16S4	979.2181	NA	PeJP	NA	NA
+PJ112582	CCCCCEMW 	C36H53N9O11S6	979.2189	NA	PeJP	NA	NA
+C04675	3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA	C32H52N7O20P3S	979.2201	NA	KEGG	NA	NA
+PJ112583	SSCCCCDEM 	C32H53N9O16S5	979.2214	NA	PeJP	NA	NA
+PJ112584	SPCCCCCMM 	C33H57N9O11S7	979.2223	NA	PeJP	NA	NA
+PJ112585	GCCCCCDHH 	C33H49N13O12S5	979.2228	NA	PeJP	NA	NA
+PJ112586	GSSSCCCCCQ 	C31H53N11O15S5	979.2327	NA	PeJP	NA	NA
+PJ112587	GSCCCDDDY 	C35H49N9O18S3	979.2358	NA	PeJP	NA	NA
+PJ112588	GPCCCCCEY 	C36H53N9O13S5	979.2367	NA	PeJP	NA	NA
+PJ112589	ASCCCCEMM 	C33H57N9O13S6	979.24	NA	PeJP	NA	NA
+PJ112590	GSCCCDMMM 	C33H57N9O13S6	979.2401	NA	PeJP	NA	NA
+PJ112591	GCCCCCNQF 	C35H53N11O12S5	979.2479	NA	PeJP	NA	NA
+PJ112592	SSSSSCCCCN 	C31H53N11O17S4	979.2504	NA	PeJP	NA	NA
+PJ112593	SCCCCCCQK 	C32H57N11O12S6	979.2513	NA	PeJP	NA	NA
+PJ112594	PCCCCCYW 	C40H53N9O10S5	979.2519	NA	PeJP	NA	NA
+PJ112595	CCCNDEMY 	C36H53N9O15S4	979.2544	NA	PeJP	NA	NA
+PJ112596	TCCCCMMW 	C37H57N9O10S6	979.2553	NA	PeJP	NA	NA
+PJ112597	SSSCCCEMM 	C33H57N9O15S5	979.2578	NA	PeJP	NA	NA
+PJ112598	GCCCNNDDH 	C33H49N13O16S3	979.2583	NA	PeJP	NA	NA
+PJ112599	CCCQMMMM 	C34H61N9O10S7	979.2587	NA	PeJP	NA	NA
+PJ112600	ATCCCCCHH 	C34H53N13O11S5	979.2591	NA	PeJP	NA	NA
+PJ112601	GSCCCCMHH 	C34H53N13O11S5	979.2592	NA	PeJP	NA	NA
+PJ112602	GSCCDDDEH 	C34H49N11O19S2	979.2648	NA	PeJP	NA	NA
+PJ112603	CCCCDDRY 	C35H53N11O14S4	979.2657	NA	PeJP	NA	NA
+PJ112604	GSSSCCCCCK 	C32H57N11O14S5	979.269	NA	PeJP	NA	NA
+PJ112605	GCCCDMYW 	C40H53N9O12S4	979.2697	NA	PeJP	NA	NA
+PJ112606	CCCCMMMR 	C33H61N11O9S7	979.2699	NA	PeJP	NA	NA
+PJ112607	GPCDDDDDE 	C35H49N9O22S	979.2713	NA	PeJP	NA	NA
+FL7AACGL0069	Cyanidin 3-(6''-sinapylsophoroside)-5-glucoside	C44H51O25	979.27194	119818-02-9<BR>107480-91-1<BR>63003-10-1	knapsack	NA	NA
+PJ112608	GSSCCDDMY 	C36H53N9O17S3	979.2722	NA	PeJP	NA	NA
+PJ112609	GPTCCCCMY 	C37H57N9O12S5	979.2731	NA	PeJP	NA	NA
+PJ112610	GSSCCMMMM 	C34H61N9O12S6	979.2764	NA	PeJP	NA	NA
+PJ112611	SSTCCCCHH 	C34H53N13O13S4	979.2769	NA	PeJP	NA	NA
+PJ112612	SCCDDDHW 	C38H49N11O16S2	979.2801	NA	PeJP	NA	NA
+PJ112613	PCCCCEHW 	C39H53N11O11S4	979.2809	NA	PeJP	NA	NA
+PJ112614	SSSCDDDDH 	C34H49N11O21S	979.2826	NA	PeJP	NA	NA
+PJ112615	SSSCCCNNY 	C35H53N11O16S3	979.2834	NA	PeJP	NA	NA
+PJ112616	CCCCDMFR 	C36H57N11O11S5	979.2843	NA	PeJP	NA	NA
+PJ112617	PCDDDDDW 	C39H49N9O19S	979.2866	NA	PeJP	NA	NA
+PJ112618	SSCCCEYW 	C40H53N9O14S3	979.2874	NA	PeJP	NA	NA
+PJ112619	GGPCCCDYY 	C40H53N9O14S3	979.2875	NA	PeJP	NA	NA
+PJ112620	SCCCCCCKK 	C33H61N11O11S6	979.2877	NA	PeJP	NA	NA
+PJ112621	GCCCMMFW 	C41H57N9O9S5	979.2883	NA	PeJP	NA	NA
+PJ112622	NDDDDEEE 	C35H49N9O24	979.2891	NA	PeJP	NA	NA
+PJ112623	SSSSCCDEY 	C36H53N9O19S2	979.2899	NA	PeJP	NA	NA
+PJ112624	SPPCCDDDE 	C36H53N9O19S2	979.29	NA	PeJP	NA	NA
+PJ112625	SCCNEMMY 	C37H57N9O14S4	979.2908	NA	PeJP	NA	NA
+PJ112626	CCCYYYY 	C45H53N7O12S3	979.2915	NA	PeJP	NA	NA
+PJ112627	CCCCQHHF 	C38H53N13O10S4	979.2922	NA	PeJP	NA	NA
+PJ112628	GCNNNNDDD 	C33H49N13O20S	979.2938	NA	PeJP	NA	NA
+PJ112629	SSSTCCMMM 	C34H61N9O14S5	979.2942	NA	PeJP	NA	NA
+PJ112630	CCCDDEHR 	C34H53N13O15S3	979.2947	NA	PeJP	NA	NA
+PJ112631	CCCKMMMM 	C35H65N9O9S7	979.2951	NA	PeJP	NA	NA
+PJ112632	CNDDDDHF 	C38H49N11O18S	979.2978	NA	PeJP	NA	NA
+PJ112633	GCCDEMHW 	C39H53N11O13S3	979.2987	NA	PeJP	NA	NA
+PJ112634	DDDDDDDR 	C34H49N11O23	979.3003	NA	PeJP	NA	NA
+PJ112635	GSSCDDEMH 	C35H53N11O18S2	979.3012	NA	PeJP	NA	NA
+PJ112636	GSCCCCNKY 	C36H57N11O13S4	979.302	NA	PeJP	NA	NA
+PJ112637	SCCCDMRY 	C36H57N11O13S4	979.3021	NA	PeJP	NA	NA
+PJ112638	CCNDDHHH 	C36H49N15O14S2	979.3025	NA	PeJP	NA	NA
+PJ112639	GCCCDFFW 	C44H53N9O11S3	979.3027	NA	PeJP	NA	NA
+PJ112640	GDDDDEEW 	C39H49N9O21	979.3043	NA	PeJP	NA	NA
+PJ112641	ADDDDDEW 	C39H49N9O21	979.3044	NA	PeJP	NA	NA
+PJ112642	GCNDDMYY 	C40H53N9O16S2	979.3052	NA	PeJP	NA	NA
+PJ112643	GSCCMMYW 	C41H57N9O11S4	979.3061	NA	PeJP	NA	NA
+PJ112644	GSPDDDDEM 	C36H53N9O21S	979.3077	NA	PeJP	NA	NA
+PJ112645	GSSSCDMMY 	C37H57N9O16S3	979.3086	NA	PeJP	NA	NA
+PJ112646	GCNMMMMY 	C38H61N9O11S5	979.3094	NA	PeJP	NA	NA
+PJ112647	AACCCCLMY 	C38H61N9O11S5	979.3095	NA	PeJP	NA	NA
+PJ112648	SCCCNQHW 	C38H53N13O12S3	979.3099	NA	PeJP	NA	NA
+PJ112649	SSSCCNNEH 	C34H53N13O17S2	979.3124	NA	PeJP	NA	NA
+PJ112650	GGGGGGGGSPCCD 	C34H53N13O17S2	979.3125	NA	PeJP	NA	NA
+PJ112651	CCNNQMMH 	C35H57N13O12S4	979.3133	NA	PeJP	NA	NA
+PJ112652	CCDMHWW 	C43H53N11O10S3	979.3139	NA	PeJP	NA	NA
+PJ112653	SNNDDDDW 	C38H49N11O20	979.3156	NA	PeJP	NA	NA
+PJ112654	SSCDDMHW 	C39H53N11O15S2	979.3164	NA	PeJP	NA	NA
+PJ112655	GGPCCNDEW 	C39H53N11O15S2	979.3165	NA	PeJP	NA	NA
+PJ112656	PTCCCMHW 	C40H57N11O10S4	979.3173	NA	PeJP	NA	NA
+PJ112657	SSSSDDDMH 	C35H53N11O20S	979.3189	NA	PeJP	NA	NA
+PJ112658	GGNNDDEEM 	C35H53N11O20S	979.319	NA	PeJP	NA	NA
+PJ112659	DDDDEWW 	C43H49N9O18	979.3196	NA	PeJP	NA	NA
+PJ112660	SNDDMMMH 	C36H57N11O15S3	979.3198	NA	PeJP	NA	NA
+PJ112661	CCNEYYW 	C44H53N9O13S2	979.3205	NA	PeJP	NA	NA
+PJ112662	ACCCMMRY 	C37H61N11O10S5	979.3207	NA	PeJP	NA	NA
+PJ112663	GSPCCCHHH 	C37H53N15O11S3	979.3212	NA	PeJP	NA	NA
+PJ112664	SPDDDDMW 	C40H53N9O18S	979.323	NA	PeJP	NA	NA
+PJ112665	GCCNNNNNQ 	C33H53N15O16S2	979.3236	NA	PeJP	NA	NA
+PJ112666	GGGCCNNNNQ 	C33H53N15O16S2	979.3237	NA	PeJP	NA	NA
+PJ112667	SSTCCMYW 	C41H57N9O13S3	979.3238	NA	PeJP	NA	NA
+PJ112668	CCCNNMHR 	C34H57N15O11S4	979.3245	NA	PeJP	NA	NA
+PJ112669	SNDEEEEE 	C36H53N9O23	979.3255	NA	PeJP	NA	NA
+PJ112670	SSSSSCEMY 	C37H57N9O18S2	979.3263	NA	PeJP	NA	NA
+PJ112671	GGPDDEEMM 	C37H57N9O18S2	979.3264	NA	PeJP	NA	NA
+PJ112672	SSCQMMMY 	C38H61N9O13S4	979.3272	NA	PeJP	NA	NA
+PJ112673	GSSSCCNHW 	C38H53N13O14S2	979.3277	NA	PeJP	NA	NA
+PJ112674	CCCCKHHF 	C39H57N13O9S4	979.3286	NA	PeJP	NA	NA
+PJ112675	CNNDDDER 	C34H53N13O19S	979.3302	NA	PeJP	NA	NA
+PJ112676	DEEMMYY 	C42H57N7O16S2	979.3304	NA	PeJP	NA	NA
+PJ112677	SCCDEMHR 	C35H57N13O14S3	979.331	NA	PeJP	NA	NA
+PJ112678	TCCDDMHR 	C35H57N13O14S3	979.3311	NA	PeJP	NA	NA
+PJ112679	GPCCNDWW 	C43H53N11O12S2	979.3317	NA	PeJP	NA	NA
+PJ112680	PCCCMMHR 	C36H61N13O9S5	979.3319	NA	PeJP	NA	NA
+MJ099066	Gadolinium hexaphyrin 	C42H58GdN6O11(+)	979.332632	NA	MeJP	NA	NA
+PJ112681	GNNDDEMW 	C39H53N11O17S	979.3342	NA	PeJP	NA	NA
+PJ112682	GSCEMMHW 	C40H57N11O12S3	979.3351	NA	PeJP	NA	NA
+PJ112683	GCCYYWW 	C48H53N9O10S2	979.3357	NA	PeJP	NA	NA
+PJ112684	SDDDDEER 	C35H53N11O22	979.3367	NA	PeJP	NA	NA
+PJ112685	PCDDDEMR 	C36H57N11O17S2	979.3376	NA	PeJP	NA	NA
+PJ112686	NNNDDDHH 	C36H49N15O18	979.338	NA	PeJP	NA	NA
+PJ112687	GGNNDDDHH 	C36H49N15O18	979.3381	NA	PeJP	NA	NA
+PJ112688	GSSCDYYW 	C44H53N9O15S	979.3382	NA	PeJP	NA	NA
+PJ112689	SSCCMMRY 	C37H61N11O12S4	979.3384	NA	PeJP	NA	NA
+PJ112690	AAACDMMMH 	C37H61N11O12S4	979.3385	NA	PeJP	NA	NA
+PJ112691	SCNDMHHH 	C37H53N15O13S2	979.3389	NA	PeJP	NA	NA
+PJ112692	CCQMFYW 	C45H57N9O10S3	979.3391	NA	PeJP	NA	NA
+PJ112693	GSDEEEEW 	C40H53N9O20	979.3407	NA	PeJP	NA	NA
+PJ112694	SSCNNNNNN 	C33H53N15O18S	979.3414	NA	PeJP	NA	NA
+PJ112695	GPDDEMMW 	C41H57N9O15S2	979.3416	NA	PeJP	NA	NA
+PJ112696	GSSCCCQHR 	C34H57N15O13S3	979.3423	NA	PeJP	NA	NA
+PJ112697	GCNMMMFF 	C42H61N9O10S4	979.3425	NA	PeJP	NA	NA
+PJ112698	GCCNNHFW 	C42H53N13O11S2	979.3429	NA	PeJP	NA	NA
+PJ112699	GGGGGCCHFW 	C42H53N13O11S2	979.343	NA	PeJP	NA	NA
+PJ112700	GQEEEEEM 	C37H57N9O20S	979.3441	NA	PeJP	NA	NA
+PJ112701	DDEEFYY 	C45H53N7O18	979.3447	NA	PeJP	NA	NA
+PJ112702	GSSSSMMMY 	C38H61N9O15S3	979.3449	NA	PeJP	NA	NA
+PJ112703	ASSSTCMMY 	C38H61N9O15S3	979.345	NA	PeJP	NA	NA
+PJ112704	GCNDDDRW 	C38H53N13O16S	979.3454	NA	PeJP	NA	NA
+PJ112705	GGGCDDDRW 	C38H53N13O16S	979.3455	NA	PeJP	NA	NA
+PJ112706	ACCKMMMY 	C39H65N9O10S5	979.3458	NA	PeJP	NA	NA
+PJ112707	SCCCNKHW 	C39H57N13O11S3	979.3463	NA	PeJP	NA	NA
+PJ112708	GSSNDDDDR 	C34H53N13O21	979.3479	NA	PeJP	NA	NA
+PJ112709	GGGSSDDDDR 	C34H53N13O21	979.348	NA	PeJP	NA	NA
+PJ112710	GSPCCNDER 	C35H57N13O16S2	979.3488	NA	PeJP	NA	NA
+PJ112711	EEMMMFY 	C43H61N7O13S3	979.349	NA	PeJP	NA	NA
+PJ112712	NNDDMWW 	C43H53N11O14S	979.3495	NA	PeJP	NA	NA
+PJ112713	GCDMMMHR 	C36H61N13O11S4	979.3497	NA	PeJP	NA	NA
+PJ112714	SCMMHWW 	C44H57N11O9S3	979.3503	NA	PeJP	NA	NA
+PJ112715	SSNNDEEW 	C39H53N11O19	979.352	NA	PeJP	NA	NA
+PJ112716	SSSDMMHW 	C40H57N11O14S2	979.3528	NA	PeJP	NA	NA
+PJ112717	GGGGGPPCCEF 	C40H57N11O14S2	979.3529	NA	PeJP	NA	NA
+PJ112718	NMMMMHW 	C41H61N11O9S4	979.3537	NA	PeJP	NA	NA
+PJ112719	GTCCHHHW 	C41H53N15O10S2	979.3542	NA	PeJP	NA	NA
+PJ112720	GDDEEEMR 	C36H57N11O19S	979.3553	NA	PeJP	NA	NA
+PJ112721	GGGGGGTEEEM 	C36H57N11O19S	979.3554	NA	PeJP	NA	NA
+PJ112722	SDEEEWW 	C44H53N9O17	979.356	NA	PeJP	NA	NA
+PJ112723	SSQEMMMH 	C37H61N11O14S3	979.3562	NA	PeJP	NA	NA
+PJ112724	GSSSCEHHH 	C37H53N15O15S	979.3567	NA	PeJP	NA	NA
+PJ112725	PCEEMWW 	C45H57N9O12S2	979.3568	NA	PeJP	NA	NA
+PJ112726	PDDMMWW 	C45H57N9O12S2	979.3569	NA	PeJP	NA	NA
+PJ112727	PCCKMMMH 	C38H65N11O9S5	979.3571	NA	PeJP	NA	NA
+PJ112728	GCQMMHHH 	C38H57N15O10S3	979.3575	NA	PeJP	NA	NA
+PJ112729	GGVCCMHHH 	C38H57N15O10S3	979.3576	NA	PeJP	NA	NA
+PJ112730	SSSNEMYY 	C41H57N9O17S	979.3593	NA	PeJP	NA	NA
+PJ112731	QEEEEMW 	C41H57N9O17S	979.3594	NA	PeJP	NA	NA
+PJ112732	SSSSCCNHR 	C34H57N15O15S2	979.36	NA	PeJP	NA	NA
+PJ112733	GGGGCNNDMR 	C34H57N15O15S2	979.3601	NA	PeJP	NA	NA
+PJ112734	SPPCEMMW 	C42H61N9O12S3	979.3602	NA	PeJP	NA	NA
+PJ112735	GSCNNNWW 	C42H53N13O13S	979.3607	NA	PeJP	NA	NA
+PJ112736	CCCCQKHR 	C35H61N15O10S4	979.3609	NA	PeJP	NA	NA
+PJ112737	STQEEEEE 	C37H57N9O22	979.3618	NA	PeJP	NA	NA
+PJ112738	TTNEEEEE 	C37H57N9O22	979.3619	NA	PeJP	NA	NA
+PJ112739	SSSSSTMMY 	C38H61N9O17S2	979.3627	NA	PeJP	NA	NA
+PJ112740	GSSSNNNDW 	C38H53N13O18	979.3632	NA	PeJP	NA	NA
+PJ112741	PDEMYYY 	C46H57N7O15S	979.3634	NA	PeJP	NA	NA
+PJ112742	SSCKMMMY 	C39H65N9O12S4	979.3636	NA	PeJP	NA	NA
+PJ112743	VCCNNNQW 	C39H57N13O13S2	979.364	NA	PeJP	NA	NA
+PJ112744	SPCCNDRW 	C39H57N13O13S2	979.3641	NA	PeJP	NA	NA
+PJ112745	GCNEWWW 	C47H53N11O11S	979.3647	NA	PeJP	NA	NA
+PJ112746	SSVCNNNNE 	C35H57N13O18S	979.3665	NA	PeJP	NA	NA
+PJ112747	SNNDDEMR 	C35H57N13O18S	979.3666	NA	PeJP	NA	NA
+PJ112748	GSSNDEWW 	C43H53N11O16	979.3672	NA	PeJP	NA	NA
+PJ112749	SSCEMMHR 	C36H61N13O13S3	979.3674	NA	PeJP	NA	NA
+PJ112750	GGGGPCDMMR 	C36H61N13O13S3	979.3675	NA	PeJP	NA	NA
+PJ112751	CNNNNQHH 	C36H53N17O14S	979.3679	NA	PeJP	NA	NA
+PJ112752	GSPCNMWW 	C44H57N11O11S2	979.3681	NA	PeJP	NA	NA
+PJ112753	GCCMHHHR 	C37H57N17O9S3	979.3688	NA	PeJP	NA	NA
+PJ112754	DDEEMRW 	C40H57N11O16S	979.3706	NA	PeJP	NA	NA
+PJ112755	PDDDFWW 	C48H53N9O14	979.3712	NA	PeJP	NA	NA
+PJ112756	CNMMRYY 	C41H61N11O11S3	979.3714	NA	PeJP	NA	NA
+PJ112757	GSTMMMHW 	C41H61N11O11S3	979.3715	NA	PeJP	NA	NA
+PJ112758	SSSCHHHW 	C41H53N15O12S	979.3719	NA	PeJP	NA	NA
+PJ112759	CCQFFFW 	C49H57N9O9S2	979.3721	NA	PeJP	NA	NA
+PJ112760	SSDEEEER 	C36H57N11O21	979.3731	NA	PeJP	NA	NA
+PJ112761	GSSTTEMMH 	C37H61N11O16S2	979.3739	NA	PeJP	NA	NA
+PJ112762	SPDDEMMR 	C37H61N11O16S2	979.374	NA	PeJP	NA	NA
+PJ112763	NNNNNNNY 	C37H53N15O17	979.3744	NA	PeJP	NA	NA
+PJ112764	GGGGGGGGGGNNY 	C37H53N15O17	979.3745	NA	PeJP	NA	NA
+PJ112765	AEEEMWW 	C45H57N9O14S	979.3746	NA	PeJP	NA	NA
+PJ112766	PPCDMMMR 	C38H65N11O11S4	979.3748	NA	PeJP	NA	NA
+PJ112767	GCCNNQRW 	C38H57N15O12S2	979.3753	NA	PeJP	NA	NA
+PJ112768	CCKMFYW 	C46H61N9O9S3	979.3755	NA	PeJP	NA	NA
+PJ112769	PCDHHWW 	C46H53N13O10S	979.376	NA	PeJP	NA	NA
+PJ112770	GTTEEEEW 	C41H57N9O19	979.3771	NA	PeJP	NA	NA
+PJ112771	SCNDDDRR 	C34H57N15O17S	979.3778	NA	PeJP	NA	NA
+PJ112772	GPTEEMMW 	C42H61N9O14S2	979.378	NA	PeJP	NA	NA
+PJ112773	GNNNNDFW 	C42H53N13O15	979.3784	NA	PeJP	NA	NA
+PJ112774	GGGNNNDFW 	C42H53N13O15	979.3785	NA	PeJP	NA	NA
+PJ112775	PCCCNERR 	C35H61N15O12S3	979.3787	NA	PeJP	NA	NA
+PJ112776	GPPMMMMW 	C43H65N9O9S4	979.3789	NA	PeJP	NA	NA
+PJ112777	CCEHFRW 	C43H57N13O10S2	979.3793	NA	PeJP	NA	NA
+PJ112778	CNWWWW 	C51H53N11O8S	979.38	NA	PeJP	NA	NA
+MJ099067	Orbiculamide A 	C46H62BrN9O10	979.380301	NA	MeJP	NA	NA
+PJ112779	GKEEEEEM 	C38H61N9O19S	979.3805	NA	PeJP	NA	NA
+PJ112780	VDEEYYY 	C46H57N7O17	979.3811	NA	PeJP	NA	NA
+PJ112781	GSPPTEMMM 	C39H65N9O14S3	979.3813	NA	PeJP	NA	NA
+PJ112782	PVNEEMMM 	C39H65N9O14S3	979.3814	NA	PeJP	NA	NA
+PJ112783	GSNDDMRW 	C39H57N13O15S	979.3818	NA	PeJP	NA	NA
+PJ112784	GGGGGGGGGGPMY 	C39H57N13O15S	979.3819	NA	PeJP	NA	NA
+PJ112785	PEMMFYY 	C47H61N7O12S2	979.382	NA	PeJP	NA	NA
+PJ112786	SSNDWWW 	C47H53N11O13	979.3825	NA	PeJP	NA	NA
+PJ112787	GPCCQMRW 	C40H61N13O10S3	979.3827	NA	PeJP	NA	NA
+PJ112788	ACMHFWW 	C48H57N11O8S2	979.3833	NA	PeJP	NA	NA
+PJ112789	GSSSNDEER 	C35H57N13O20	979.3843	NA	PeJP	NA	NA
+PJ112790	GNNEEMMR 	C36H61N13O15S2	979.3852	NA	PeJP	NA	NA
+PJ112791	LEMMMYY 	C44H65N7O12S3	979.3854	NA	PeJP	NA	NA
+PJ112792	GSSNNNNHH 	C36H53N17O16	979.3857	NA	PeJP	NA	NA
+PJ112793	SNQEMWW 	C44H57N11O13S	979.3858	NA	PeJP	NA	NA
+PJ112794	GGGGTEMWW 	C44H57N11O13S	979.3859	NA	PeJP	NA	NA
+PJ112795	GSMMMMHR 	C37H65N13O10S4	979.3861	NA	PeJP	NA	NA
+PJ112796	STCCHHHR 	C37H57N17O11S2	979.3865	NA	PeJP	NA	NA
+PJ112797	GGGGPCCHHR 	C37H57N17O11S2	979.3866	NA	PeJP	NA	NA
+PJ112798	MMMHHFF 	C45H61N11O8S3	979.3867	NA	PeJP	NA	NA
+PJ112799	CNHHHFW 	C45H53N15O9S	979.3872	NA	PeJP	NA	NA
+PJ112800	SSSQQEEW 	C40H57N11O18	979.3883	NA	PeJP	NA	NA
+PJ112801	GGGGSTTEEW 	C40H57N11O18	979.3884	NA	PeJP	NA	NA
+PJ112802	SSTTMMHW 	C41H61N11O13S2	979.3892	NA	PeJP	NA	NA
+PJ112803	DDDHHRW 	C41H53N15O14	979.3897	NA	PeJP	NA	NA
+PJ112804	PPCEYWW 	C49H57N9O11S	979.3899	NA	PeJP	NA	NA
+PJ112805	GTEEEEMR 	C37H61N11O18S	979.3917	NA	PeJP	NA	NA
+PJ112806	SSSSTYYW 	C45H57N9O16	979.3923	NA	PeJP	NA	NA
+PJ112807	TTEEEWW 	C45H57N9O16	979.3924	NA	PeJP	NA	NA
+PJ112808	GPEEMMMR 	C38H65N11O13S3	979.3926	NA	PeJP	NA	NA
+PJ112809	SSCNNNRW 	C38H57N15O14S	979.393	NA	PeJP	NA	NA
+PJ112810	GGSSCNNRW 	C38H57N15O14S	979.3931	NA	PeJP	NA	NA
+PJ112811	PTEMMWW 	C46H61N9O11S2	979.3932	NA	PeJP	NA	NA
+PJ112812	GEEHHWW 	C46H53N13O12	979.3937	NA	PeJP	NA	NA
+PJ112813	GPCCCRRW 	C39H61N15O9S3	979.3939	NA	PeJP	NA	NA
+PJ112814	SSSSNNNDR 	C34H57N15O19	979.3955	NA	PeJP	NA	NA
+PJ112815	GGSSSSNNDR 	C34H57N15O19	979.3956	NA	PeJP	NA	NA
+PJ112816	KEEEEMW 	C42H61N9O16S	979.3957	NA	PeJP	NA	NA
+PJ112817	GAAPEEEMF 	C42H61N9O16S	979.3958	NA	PeJP	NA	NA
+PJ112818	PPDYYYY 	C50H57N7O14	979.3964	NA	PeJP	NA	NA
+PJ112819	GGGGGGGGSMMR 	C35H61N15O14S2	979.3965	NA	PeJP	NA	NA
+PJ112820	GPVEMMMW 	C43H65N9O11S3	979.3966	NA	PeJP	NA	NA
+PJ112821	SCNERWW 	C43H57N13O12S	979.3971	NA	PeJP	NA	NA
+PJ112822	CCCCKKHR 	C36H65N15O9S4	979.3973	NA	PeJP	NA	NA
+PJ112823	STKEEEEE 	C38H61N9O21	979.3982	NA	PeJP	NA	NA
+PJ112824	SPKEEEMM 	C39H65N9O16S2	979.3991	NA	PeJP	NA	NA
+PJ112825	SSSNDERW 	C39H57N13O17	979.3996	NA	PeJP	NA	NA
+PJ112826	VEEMFYY 	C47H61N7O14S	979.3998	NA	PeJP	NA	NA
+PJ112827	PPDKMMMM 	C40H69N9O11S4	979.4	NA	PeJP	NA	NA
+PJ112828	NNEMMRW 	C40H61N13O12S2	979.4004	NA	PeJP	NA	NA
+PJ112829	GGNEMMRW 	C40H61N13O12S2	979.4005	NA	PeJP	NA	NA
+PJ112830	SPNDHHHH 	C40H53N17O13	979.4009	NA	PeJP	NA	NA
+PJ112831	GSQMWWW 	C48H57N11O10S	979.4011	NA	PeJP	NA	NA
+PJ112832	SSNQEEMR 	C36H61N13O17S	979.4029	NA	PeJP	NA	NA
+PJ112833	GGSSQEEMR 	C36H61N13O17S	979.403	NA	PeJP	NA	NA
+PJ112834	GSSTQEWW 	C44H57N11O15	979.4036	NA	PeJP	NA	NA
+PJ112835	SSTMMMHR 	C37H65N13O12S3	979.4038	NA	PeJP	NA	NA
+PJ112836	GNNDMHHR 	C37H57N17O13S	979.4043	NA	PeJP	NA	NA
+PJ112837	AQQMMWW 	C45H61N11O10S2	979.4045	NA	PeJP	NA	NA
+PJ112838	SNNHHWW 	C45H53N15O11	979.4049	NA	PeJP	NA	NA
+PJ112839	GGGGSHHWW 	C45H53N15O11	979.405	NA	PeJP	NA	NA
+PJ112840	TEEEMRW 	C41H61N11O15S	979.407	NA	PeJP	NA	NA
+PJ112841	APEEYWW 	C49H57N9O13	979.4076	NA	PeJP	NA	NA
+PJ112842	GCCDDRRR 	C34H61N17O13S2	979.4077	NA	PeJP	NA	NA
+PJ112843	PEMMMRW 	C42H65N11O10S3	979.4078	NA	PeJP	NA	NA
+PJ112844	GGAPCKMMW 	C42H65N11O10S3	979.4079	NA	PeJP	NA	NA
+PJ112845	NQQMHHW 	C42H57N15O11S	979.4083	NA	PeJP	NA	NA
+PJ112846	CCKFFFW 	C50H61N9O8S2	979.4085	NA	PeJP	NA	NA
+PJ112847	EHHWWW 	C50H53N13O9	979.409	NA	PeJP	NA	NA
+PJ112848	STTEEEER 	C37H61N11O20	979.4095	NA	PeJP	NA	NA
+PJ112849	SPTEEMMR 	C38H65N11O15S2	979.4103	NA	PeJP	NA	NA
+PJ112850	GVEEEMMR 	C38H65N11O15S2	979.4104	NA	PeJP	NA	NA
+PJ112851	GNNNNERY 	C38H57N15O16	979.4108	NA	PeJP	NA	NA
+PJ112852	GGGGGGGGAAPEH 	C38H57N15O16	979.4109	NA	PeJP	NA	NA
+PJ112853	SLEEMWW 	C46H61N9O13S	979.411	NA	PeJP	NA	NA
+PJ112854	SPPMMMMR 	C39H69N11O10S4	979.4112	NA	PeJP	NA	NA
+PJ112855	CNDMRRW 	C39H61N15O11S2	979.4117	NA	PeJP	NA	NA
+PJ112856	PVMMMWW 	C47H65N9O8S3	979.4119	NA	PeJP	NA	NA
+PJ112857	GNNQHHHH 	C39H53N19O12	979.4122	NA	PeJP	NA	NA
+PJ112858	GSCRWWW 	C47H57N13O9S	979.4123	NA	PeJP	NA	NA
+PJ112859	SSTLEEEW 	C42H61N9O18	979.4135	NA	PeJP	NA	NA
+PJ112860	SSNDDMRR 	C35H61N15O16S	979.4142	NA	PeJP	NA	NA
+PJ112861	ASSKMMYY 	C43H65N9O13S2	979.4143	NA	PeJP	NA	NA
+PJ112862	AALEEMMW 	C43H65N9O13S2	979.4144	NA	PeJP	NA	NA
+PJ112863	GSSSDRWW 	C43H57N13O14	979.4148	NA	PeJP	NA	NA
+PJ112864	GGGGGGAAQYW 	C43H57N13O14	979.4149	NA	PeJP	NA	NA
+PJ112865	PPMFYYY 	C51H61N7O11S	979.415	NA	PeJP	NA	NA
+PJ112866	SPCCQMRR 	C36H65N15O11S3	979.4151	NA	PeJP	NA	NA
+PJ112867	GNMMRWW 	C44H61N13O9S2	979.4157	NA	PeJP	NA	NA
+PJ112868	EHHHHHF 	C44H53N17O10	979.4162	NA	PeJP	NA	NA
+PJ112869	SVKEEEEM 	C39H65N9O18S	979.4169	NA	PeJP	NA	NA
+PJ112870	TLEEYYY 	C47H61N7O16	979.4175	NA	PeJP	NA	NA
+PJ112871	PVDKEMMM 	C40H69N9O13S3	979.4177	NA	PeJP	NA	NA
+PJ112872	GSSQEMRW 	C40H61N13O14S	979.4182	NA	PeJP	NA	NA
+PJ112873	PLMMYYY 	C48H65N7O11S2	979.4184	NA	PeJP	NA	NA
+PJ112874	SSTQWWW 	C48H57N11O12	979.4188	NA	PeJP	NA	NA
+PJ112875	GGSTTWWW 	C48H57N11O12	979.4189	NA	PeJP	NA	NA
+PJ112876	GPCCKMRW 	C41H65N13O9S3	979.4191	NA	PeJP	NA	NA
+PJ112877	CNQHHRW 	C41H57N17O10S	979.4195	NA	PeJP	NA	NA
+PJ112878	GGCQHHRW 	C41H57N17O10S	979.4196	NA	PeJP	NA	NA
+MJ099068	Taxol?; N-Debenzoyl, N-hexanoyl, 7-O-?-D-xylopyranoside 	C51H65NO18	979.420164	NA	MeJP	NA	NA
+PJ112879	GSSSTQEER 	C36H61N13O19	979.4207	NA	PeJP	NA	NA
+PJ112880	EEEMMRR 	C37H65N13O14S2	979.4216	NA	PeJP	NA	NA
+PJ112881	SSNNEHHR 	C37H57N17O15	979.422	NA	PeJP	NA	NA
+PJ112882	GGSSNEHHR 	C37H57N17O15	979.4221	NA	PeJP	NA	NA
+PJ112883	SNKEMWW 	C45H61N11O12S	979.4222	NA	PeJP	NA	NA
+PJ112884	GGGGGGPPMFF 	C45H61N11O12S	979.4223	NA	PeJP	NA	NA
+PJ112885	CCCKKKMH 	C38H69N13O9S4	979.4225	NA	PeJP	NA	NA
+PJ112886	GNFFFYW 	C53H57N9O10	979.4229	NA	PeJP	NA	NA
+PJ112887	SSSQKEEW 	C41H61N11O17	979.4247	NA	PeJP	NA	NA
+PJ112888	GGGGGGVVEEY 	C41H61N11O17	979.4248	NA	PeJP	NA	NA
+PJ112889	GSSSCNNRR 	C34H61N17O15S	979.4254	NA	PeJP	NA	NA
+MJ099069	4-L-Threonineoxytocin 	C42H65N11O12S2	979.425557	NA	MeJP	NA	NA
+MJ099070	Seritocin 	C42H65N11O12S2	979.425557	NA	MeJP	NA	NA
+PJ112890	VEEMMRW 	C42H65N11O12S2	979.4256	NA	PeJP	NA	NA
+PJ112891	NNNNRYW 	C42H57N15O13	979.4261	NA	PeJP	NA	NA
+PJ112892	PPTMYWW 	C50H61N9O10S	979.4262	NA	PeJP	NA	NA
+PJ112893	PVDMFWW 	C50H61N9O10S	979.4263	NA	PeJP	NA	NA
+PJ112894	ACCRRWW 	C43H61N15O8S2	979.4269	NA	PeJP	NA	NA
+PJ112895	SSLEEEMR 	C38H65N11O17S	979.4281	NA	PeJP	NA	NA
+PJ112896	SPPTTEYW 	C46H61N9O15	979.4287	NA	PeJP	NA	NA
+PJ112897	PKEEEYW 	C46H61N9O15	979.4288	NA	PeJP	NA	NA
+PJ112898	SPVEMMMR 	C39H69N11O12S3	979.429	NA	PeJP	NA	NA
+PJ112899	GSSCERRW 	C39H61N15O13S	979.4294	NA	PeJP	NA	NA
+PJ112900	GGGGGNQMFR 	C39H61N15O13S	979.4295	NA	PeJP	NA	NA
+PJ112901	VVEMMWW 	C47H65N9O10S2	979.4296	NA	PeJP	NA	NA
+PJ112902	GNDFRWW 	C47H57N13O11	979.4301	NA	PeJP	NA	NA
+PJ112903	CMMHFRR 	C40H65N15O8S3	979.4303	NA	PeJP	NA	NA
+PJ112904	GPCHHHHR 	C40H57N19O9S	979.4308	NA	PeJP	NA	NA
+PJ112905	GSSSSDERR 	C35H61N15O18	979.4319	NA	PeJP	NA	NA
+PJ112906	GGGGGGSSSTTR 	C35H61N15O18	979.432	NA	PeJP	NA	NA
+PJ112907	ATTLEEMW 	C43H65N9O15S	979.4321	NA	PeJP	NA	NA
+PJ112908	PVEFYYY 	C51H61N7O13	979.4328	NA	PeJP	NA	NA
+PJ112909	APTLMMMW 	C44H69N9O10S3	979.433	NA	PeJP	NA	NA
+PJ112910	SSQMRWW 	C44H61N13O11S	979.4334	NA	PeJP	NA	NA
+PJ112911	GGSTMRWW 	C44H61N13O11S	979.4335	NA	PeJP	NA	NA
+PJ112912	QQFWWW 	C52H57N11O9	979.4341	NA	PeJP	NA	NA
+PJ112913	SSSSLLEEE 	C39H65N9O20	979.4346	NA	PeJP	NA	NA
+PJ112914	ALKEEEMM 	C40H69N9O15S2	979.4355	NA	PeJP	NA	NA
+PJ112915	SSSSSSPRW 	C40H61N13O16	979.4359	NA	PeJP	NA	NA
+PJ112916	SSSTQERW 	C40H61N13O16	979.436	NA	PeJP	NA	NA
+PJ112917	VLEMYYY 	C48H65N7O13S	979.4361	NA	PeJP	NA	NA
+PJ112918	PVLQMMMM 	C41H73N9O10S4	979.4364	NA	PeJP	NA	NA
+PJ112919	NDKMMRW 	C41H65N13O11S2	979.4368	NA	PeJP	NA	NA
+PJ112920	GGGGGCKKMW 	C41H65N13O11S2	979.4369	NA	PeJP	NA	NA
+PJ112921	GSSNHHRW 	C41H57N17O12	979.4373	NA	PeJP	NA	NA
+PJ112922	GSKMWWW 	C49H61N11O9S	979.4375	NA	PeJP	NA	NA
+PJ112923	SSNKEEMR 	C37H65N13O16S	979.4393	NA	PeJP	NA	NA
+PJ112924	GGGGGGGTTTKM 	C37H65N13O16S	979.4394	NA	PeJP	NA	NA
+PJ112925	GSSTKEWW 	C45H61N11O14	979.44	NA	PeJP	NA	NA
+PJ112926	GVQQMMMR 	C38H69N13O11S3	979.4402	NA	PeJP	NA	NA
+PJ112927	GCNNNFRR 	C38H61N17O12S	979.4407	NA	PeJP	NA	NA
+PJ112928	AQKMMWW 	C46H65N11O9S2	979.4408	NA	PeJP	NA	NA
+PJ112929	GAAKMMWW 	C46H65N11O9S2	979.4409	NA	PeJP	NA	NA
+PJ112930	QQHHHFF 	C46H57N15O10	979.4413	NA	PeJP	NA	NA
+PJ112931	ASTQKEMW 	C42H65N11O14S	979.4433	NA	PeJP	NA	NA
+PJ112932	GSDKKEMW 	C42H65N11O14S	979.4434	NA	PeJP	NA	NA
+PJ112933	SPLEYWW 	C50H61N9O12	979.444	NA	PeJP	NA	NA
+PJ112934	GSCDMRRR 	C35H65N17O12S2	979.4441	NA	PeJP	NA	NA
+PJ112935	GPCKKMMW 	C43H69N11O9S3	979.4442	NA	PeJP	NA	NA
+PJ112936	SSCRRWW 	C43H61N15O10S	979.4447	NA	PeJP	NA	NA
+PJ112937	APHHFWW 	C51H57N13O8	979.4453	NA	PeJP	NA	NA
+PJ112938	ASSTTQKEE 	C38H65N11O19	979.4458	NA	PeJP	NA	NA
+PJ112939	GSSSKKEEE 	C38H65N11O19	979.4459	NA	PeJP	NA	NA
+PJ112940	ATLEEMMR 	C39H69N11O14S2	979.4467	NA	PeJP	NA	NA
+PJ112941	SSSSDRRW 	C39H61N15O15	979.4472	NA	PeJP	NA	NA
+PJ112942	AAPLEMYW 	C47H65N9O12S	979.4474	NA	PeJP	NA	NA
+PJ112943	APLMMMMR 	C40H73N11O9S4	979.4476	NA	PeJP	NA	NA
+PJ112944	PPFFFYY 	C55H61N7O10	979.448	NA	PeJP	NA	NA
+PJ112945	SNMMRRW 	C40H65N15O10S2	979.4481	NA	PeJP	NA	NA
+PJ112946	QEHHHHR 	C40H57N19O11	979.4485	NA	PeJP	NA	NA
+PJ112947	GAEHHHHR 	C40H57N19O11	979.4486	NA	PeJP	NA	NA
+PJ112948	ALMHHWW 	C48H61N13O8S	979.4487	NA	PeJP	NA	NA
+PJ112949	TTTTLEEW 	C43H65N9O17	979.4499	NA	PeJP	NA	NA
+3401	NA	YPVQPFTE	979.45	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ112950	SSSQEMRR 	C36H65N15O15S	979.4506	NA	PeJP	NA	NA
+PJ112951	PTTTLMMW 	C44H69N9O12S2	979.4507	NA	PeJP	NA	NA
+PJ112952	GTLLEMMW 	C44H69N9O12S2	979.4508	NA	PeJP	NA	NA
+PJ112953	GSSTTRWW 	C44H61N13O13	979.4512	NA	PeJP	NA	NA
+PJ112954	GGGGGGAAPPPW 	C44H61N13O13	979.4513	NA	PeJP	NA	NA
+PJ112955	PLMFFYY 	C52H65N7O10S	979.4514	NA	PeJP	NA	NA
+PJ112956	GGAAMMMRR 	C37H69N15O10S3	979.4515	NA	PeJP	NA	NA
+PJ112957	GSCQHHRR 	C37H61N19O11S	979.4519	NA	PeJP	NA	NA
+PJ112958	ACKMRWW 	C45H65N13O8S2	979.4521	NA	PeJP	NA	NA
+PJ112959	VQHHHHW 	C45H57N17O9	979.4526	NA	PeJP	NA	NA
+PJ112960	ASSTLLEEM 	C40H69N9O17S	979.4532	NA	PeJP	NA	NA
+PJ112961	TTLKEEEM 	C40H69N9O17S	979.4533	NA	PeJP	NA	NA
+PJ112962	PTLKEMMM 	C41H73N9O12S3	979.4541	NA	PeJP	NA	NA
+PJ112963	GSSKEMRW 	C41H65N13O13S	979.4546	NA	PeJP	NA	NA
+PJ112964	LLMMFYY 	C49H69N7O10S2	979.4548	NA	PeJP	NA	NA
+PJ112965	SSTKWWW 	C49H61N11O11	979.4552	NA	PeJP	NA	NA
+PJ112966	GGGAALYWW 	C49H61N11O11	979.4553	NA	PeJP	NA	NA
+PJ112967	KMMMHFR 	C42H69N13O8S3	979.4555	NA	PeJP	NA	NA
+PJ112968	CNKHHRW 	C42H61N17O9S	979.4559	NA	PeJP	NA	NA
+PJ112969	GSSSTKEER 	C37H65N13O18	979.4571	NA	PeJP	NA	NA
+PJ112970	GTQKEMMR 	C38H69N13O13S2	979.458	NA	PeJP	NA	NA
+PJ112971	GSNNNRRY 	C38H61N17O14	979.4584	NA	PeJP	NA	NA
+PJ112972	GGGGGGGSRRY 	C38H61N17O14	979.4585	NA	PeJP	NA	NA
+PJ112973	SDKKMWW 	C46H65N11O11S	979.4586	NA	PeJP	NA	NA
+PJ112974	PPTFFWW 	C54H61N9O9	979.4593	NA	PeJP	NA	NA
+PJ112975	SSSKKEEW 	C42H65N11O16	979.4611	NA	PeJP	NA	NA
+PJ112976	SSSCERRR 	C35H65N17O14S	979.4618	NA	PeJP	NA	NA
+PJ112977	QKKEMMW 	C43H69N11O11S2	979.462	NA	PeJP	NA	NA
+PJ112978	PQQEHRW 	C43H61N15O12	979.4624	NA	PeJP	NA	NA
+PJ112979	GNERRYW 	C43H61N15O12	979.4625	NA	PeJP	NA	NA
+PJ112980	PVVMYWW 	C51H65N9O9S	979.4626	NA	PeJP	NA	NA
+PJ112981	CQMMRRR 	C36H69N17O9S3	979.4627	NA	PeJP	NA	NA
+PJ112982	AHHHHRW 	C44H57N19O8	979.4638	NA	PeJP	NA	NA
+PJ112983	TTTLEEMR 	C39H69N11O16S	979.4645	NA	PeJP	NA	NA
+PJ112984	LLQEEYW 	C47H65N9O14	979.4651	NA	PeJP	NA	NA
+PJ112985	GGPVVEEFF 	C47H65N9O14	979.4652	NA	PeJP	NA	NA
+PJ112986	GLLEMMMR 	C40H73N11O11S3	979.4654	NA	PeJP	NA	NA
+PJ112987	GSSTMRRW 	C40H65N15O12S	979.4658	NA	PeJP	NA	NA
+PJ112988	GGGGGGGKMFR 	C40H65N15O12S	979.4659	NA	PeJP	NA	NA
+PJ112989	TLLMMWW 	C48H69N9O9S2	979.466	NA	PeJP	NA	NA
+PJ112990	AAQRYWW 	C48H61N13O10	979.4665	NA	PeJP	NA	NA
+PJ112991	GSSSTTERR 	C36H65N15O17	979.4683	NA	PeJP	NA	NA
+PJ112992	STTLLEMW 	C44H69N9O14S	979.4685	NA	PeJP	NA	NA
+PJ112993	PVLYYYY 	C52H65N7O12	979.4691	NA	PeJP	NA	NA
+PJ112994	GSDKMMRR 	C37H69N15O12S2	979.4692	NA	PeJP	NA	NA
+PJ112995	GVLLMMMW 	C45H73N9O9S3	979.4694	NA	PeJP	NA	NA
+PJ112996	SSSNHHRR 	C37H61N19O13	979.4697	NA	PeJP	NA	NA
+PJ112997	SSKMRWW 	C45H65N13O10S	979.4698	NA	PeJP	NA	NA
+PJ112998	GAPCKRYW 	C45H65N13O10S	979.4699	NA	PeJP	NA	NA
+PJ112999	QKFWWW 	C53H61N11O8	979.4705	NA	PeJP	NA	NA
+PJ113000	SSTTTLLEE 	C40H69N9O19	979.471	NA	PeJP	NA	NA
+PJ113001	SLLKEEMM 	C41H73N9O14S2	979.4719	NA	PeJP	NA	NA
+PJ113002	SSSTKERW 	C41H65N13O15	979.4723	NA	PeJP	NA	NA
+PJ113003	VEEERRY 	C41H65N13O15	979.4724	NA	PeJP	NA	NA
+PJ113004	PVLKMMMM 	C42H77N9O9S4	979.4728	NA	PeJP	NA	NA
+PJ113005	TQKMMRW 	C42H69N13O10S2	979.4732	NA	PeJP	NA	NA
+PJ113006	PNDHRRW 	C42H61N17O11	979.4737	NA	PeJP	NA	NA
+PJ113007	PPMFFRW 	C50H65N11O8S	979.4739	NA	PeJP	NA	NA
+PJ113008	SSDKKEMR 	C38H69N13O15S	979.4757	NA	PeJP	NA	NA
+PJ113009	SSSSLKWW 	C46H65N11O13	979.4764	NA	PeJP	NA	NA
+PJ113010	GVQKMMMR 	C39H73N13O10S3	979.4766	NA	PeJP	NA	NA
+PJ113011	CNEFRRR 	C39H65N17O11S	979.4771	NA	PeJP	NA	NA
+PJ113012	AKKMMWW 	C47H69N11O8S2	979.4772	NA	PeJP	NA	NA
+PJ113013	NRRYWW 	C47H61N15O9	979.4777	NA	PeJP	NA	NA
+PJ113014	GTTKKEMW 	C43H69N11O13S	979.4797	NA	PeJP	NA	NA
+PJ113015	GGAPKKEMY 	C43H69N11O13S	979.4798	NA	PeJP	NA	NA
+PJ113016	ALLEYWW 	C51H65N9O11	979.4804	NA	PeJP	NA	NA
+PJ113017	LLMMMRW 	C44H73N11O8S3	979.4806	NA	PeJP	NA	NA
+PJ113018	GQMFRRW 	C44H65N15O9S	979.4811	NA	PeJP	NA	NA
+PJ113019	GSTTTKKEE 	C39H69N11O18	979.4822	NA	PeJP	NA	NA
+PJ113020	STLLEMMR 	C40H73N11O13S2	979.4831	NA	PeJP	NA	NA
+PJ113021	SSSTTRRW 	C40H65N15O14	979.4836	NA	PeJP	NA	NA
+PJ113022	GPTLLMYW 	C48H69N9O11S	979.4838	NA	PeJP	NA	NA
+PJ113023	PLFFFFY 	C56H65N7O9	979.4844	NA	PeJP	NA	NA
+PJ113024	TCKMRRW 	C41H69N15O9S2	979.4845	NA	PeJP	NA	NA
+PJ113025	NNHHFRR 	C41H61N19O10	979.4849	NA	PeJP	NA	NA
+PJ113026	GLLKEEEY 	C44H69N9O16	979.4863	NA	PeJP	NA	NA
+PJ113027	STTTQMRR 	C37H69N15O14S	979.4869	NA	PeJP	NA	NA
+PJ113028	SSSKEMRR 	C37H69N15O14S	979.487	NA	PeJP	NA	NA
+PJ113029	SSLLLMMW 	C45H73N9O11S2	979.4871	NA	PeJP	NA	NA
+PJ113030	AQKERYW 	C45H65N13O12	979.4876	NA	PeJP	NA	NA
+PJ113031	LLMFFFY 	C53H69N7O9S	979.4878	NA	PeJP	NA	NA
+PJ113032	GSCKHHRR 	C38H65N19O10S	979.4883	NA	PeJP	NA	NA
+PJ113033	VKHHHHW 	C46H61N17O8	979.489	NA	PeJP	NA	NA
+PJ113034	SSSTLLLEM 	C41H73N9O16S	979.4896	NA	PeJP	NA	NA
+PJ113035	VVLKEMMM 	C42H77N9O11S3	979.4905	NA	PeJP	NA	NA
+PJ113036	GTTTKMRW 	C42H69N13O12S	979.491	NA	PeJP	NA	NA
+PJ113037	GLQKYWW 	C50H65N11O10	979.4916	NA	PeJP	NA	NA
+PJ113038	GCFRRRW 	C43H65N17O8S	979.4923	NA	PeJP	NA	NA
+PJ113039	SSSSSLKER 	C38H69N13O17	979.4935	NA	PeJP	NA	NA
+PJ113040	SSLQKMMR 	C39H73N13O12S2	979.4943	NA	PeJP	NA	NA
+PJ113041	GTKKEMMR 	C39H73N13O12S2	979.4944	NA	PeJP	NA	NA
+PJ113042	SNERRRY 	C39H65N17O13	979.4948	NA	PeJP	NA	NA
+PJ113043	GGGGGGGGVLHR 	C39H65N17O13	979.4949	NA	PeJP	NA	NA
+PJ113044	TTKKMWW 	C47H69N11O10S	979.495	NA	PeJP	NA	NA
+PJ113045	PVVFFWW 	C55H65N9O8	979.4957	NA	PeJP	NA	NA
+PJ113046	THHHHRR 	C40H61N21O9	979.4962	NA	PeJP	NA	NA
+PJ113047	STTTKKEW 	C43H69N11O15	979.4975	NA	PeJP	NA	NA
+PJ113048	SSSTMRRR 	C36H69N17O13S	979.4982	NA	PeJP	NA	NA
+PJ113049	KKKEMMW 	C44H73N11O10S2	979.4984	NA	PeJP	NA	NA
+PJ113050	GDKRRYW 	C44H65N15O11	979.4988	NA	PeJP	NA	NA
+PJ113051	GPPPDRRW 	C44H65N15O11	979.4989	NA	PeJP	NA	NA
+PJ113052	VVLMFWW 	C52H69N9O8S	979.499	NA	PeJP	NA	NA
+PJ113053	CKMMRRR 	C37H73N17O8S3	979.4991	NA	PeJP	NA	NA
+PJ113054	STKKKEEM 	C40H73N11O15S	979.5009	NA	PeJP	NA	NA
+PJ113055	LLKEEYW 	C48H69N9O13	979.5015	NA	PeJP	NA	NA
+PJ113056	SVLLMMMR 	C41H77N11O10S3	979.5017	NA	PeJP	NA	NA
+PJ113057	GAALKKMMM 	C41H77N11O10S3	979.5018	NA	PeJP	NA	NA
+PJ113058	VQQMRRY 	C41H69N15O11S	979.5022	NA	PeJP	NA	NA
+PJ113059	AAKRYWW 	C49H65N13O9	979.5029	NA	PeJP	NA	NA
+PJ113060	SSSSSTLRR 	C37H69N15O16	979.5047	NA	PeJP	NA	NA
+PJ113061	SPLLKEMY 	C45H73N9O13S	979.5049	NA	PeJP	NA	NA
+PJ113062	VLLFYYY 	C53H69N7O11	979.5055	NA	PeJP	NA	NA
+PJ113063	GTTKMMRR 	C38H73N15O11S2	979.5056	NA	PeJP	NA	NA
+PJ113064	QQQQHRR 	C38H65N19O12	979.506	NA	PeJP	NA	NA
+PJ113065	GSPDHRRR 	C38H65N19O12	979.5061	NA	PeJP	NA	NA
+PJ113066	PCKKRYW 	C46H69N13O9S	979.5062	NA	PeJP	NA	NA
+PJ113067	KKFWWW 	C54H65N11O7	979.5069	NA	PeJP	NA	NA
+PJ113068	TTTTTTLLE 	C41H73N9O18	979.5074	NA	PeJP	NA	NA
+PJ113069	GTTTLLLMM 	C42H77N9O13S2	979.5083	NA	PeJP	NA	NA
+PJ113070	STTTTKRW 	C42H69N13O14	979.5087	NA	PeJP	NA	NA
+PJ113071	GGGGGGSLKKY 	C42H69N13O14	979.5088	NA	PeJP	NA	NA
+PJ113072	TKKMMRW 	C43H73N13O9S2	979.5096	NA	PeJP	NA	NA
+PJ113073	GSRRRYW 	C43H65N17O10	979.5101	NA	PeJP	NA	NA
+PJ113074	STTKKEMR 	C39H73N13O14S	979.5121	NA	PeJP	NA	NA
+PJ113075	VQKKEYW 	C47H69N11O12	979.5127	NA	PeJP	NA	NA
+PJ113076	TLLERYW 	C47H69N11O12	979.5128	NA	PeJP	NA	NA
+PJ113077	GVKKMMMR 	C40H77N13O9S3	979.513	NA	PeJP	NA	NA
+PJ113078	AQMRRRY 	C40H69N17O10S	979.5134	NA	PeJP	NA	NA
+PJ113079	GAAMRRRY 	C40H69N17O10S	979.5135	NA	PeJP	NA	NA
+PJ113080	APKHRWW 	C48H65N15O8	979.5141	NA	PeJP	NA	NA
+PJ113081	SSTLKKMW 	C44H73N11O12S	979.5161	NA	PeJP	NA	NA
+PJ113082	GGGAAPPPLLM 	C44H73N11O12S	979.5162	NA	PeJP	NA	NA
+PJ113083	SLLLYWW 	C52H69N9O10	979.5168	NA	PeJP	NA	NA
+PJ113084	NNQHRRR 	C37H65N21O11	979.5173	NA	PeJP	NA	NA
+PJ113085	GKMFRRW 	C45H69N15O8S	979.5175	NA	PeJP	NA	NA
+PJ113086	SSSTTLKKE 	C40H73N11O17	979.5186	NA	PeJP	NA	NA
+PJ113087	SVKKKEMM 	C41H77N11O12S2	979.5195	NA	PeJP	NA	NA
+PJ113088	TQKERRY 	C41H69N15O13	979.52	NA	PeJP	NA	NA
+PJ113089	GCILLLYW 	C49H73N9O10S	979.5201	NA	PeJP	NA	NA
+PJ113090	AALLLMYW 	C49H73N9O10S	979.5202	NA	PeJP	NA	NA
+PJ113091	LLFFFFF 	C57H69N7O8	979.5208	NA	PeJP	NA	NA
+PJ113092	SVLLKEEY 	C45H73N9O15	979.5226	NA	PeJP	NA	NA
+PJ113093	SLLLDKEY 	C45H73N9O15	979.5227	NA	PeJP	NA	NA
+PJ113094	STTTKMRR 	C38H73N15O13S	979.5233	NA	PeJP	NA	NA
+PJ113095	PVVLKMMY 	C46H77N9O10S2	979.5235	NA	PeJP	NA	NA
+MJ099071	Callitachykinin I 	C46H69N13O11	979.52395	NA	MeJP	NA	NA
+PJ113096	AKKERYW 	C46H69N13O11	979.524	NA	PeJP	NA	NA
+PJ113097	KKMMMRR 	C39H77N15O8S3	979.5242	NA	PeJP	NA	NA
+PJ113098	ACRRRRY 	C39H69N19O9S	979.5247	NA	PeJP	NA	NA
+PJ113099	STTTTLLLM 	C42H77N9O15S	979.526	NA	PeJP	NA	NA
+PJ113100	TLLLKMMM 	C43H81N9O10S3	979.5269	NA	PeJP	NA	NA
+PJ113101	LLEMRRY 	C43H73N13O11S	979.5274	NA	PeJP	NA	NA
+PJ113102	GLKKYWW 	C51H69N11O9	979.528	NA	PeJP	NA	NA
+PJ113103	ATTTTTTKR 	C39H73N13O16	979.5298	NA	PeJP	NA	NA
+C13892	1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-	C46H83N3O15P2	979.5299	NA	KEGG	NA	NA
+C13893	Transferred to D02155	C46H83N3O15P2	979.5299	NA	KEGG	NA	NA
+PJ113104	SSSTTTLKR 	C39H73N13O16	979.5299	NA	PeJP	NA	NA
+HMDB06970	CDP-DG(16:0/18:1(11Z))	C46H83N3O15P2	979.529968	NA	HMDB2010	NA	NA
+HMDB06971	CDP-DG(16:0/18:1(9Z))	C46H83N3O15P2	979.529968	NA	HMDB2010	NA	NA
+HMDB06986	CDP-DG(18:1(11Z)/16:0)	C46H83N3O15P2	979.529968	NA	HMDB2010	NA	NA
+HMDB06995	CDP-DG(18:1(9Z)/16:0)	C46H83N3O15P2	979.529968	NA	HMDB2010	NA	NA
+PJ113105	SSLKKMMR 	C40H77N13O11S2	979.5307	NA	PeJP	NA	NA
+PJ113106	SDKRRRY 	C40H69N17O12	979.5312	NA	PeJP	NA	NA
+PJ113107	VLLMRYW 	C48H73N11O9S	979.5314	NA	PeJP	NA	NA
+PJ113108	SSLLLERY 	C44H73N11O14	979.5339	NA	PeJP	NA	NA
+PJ113109	GLLLMMFR 	C45H77N11O9S2	979.5348	NA	PeJP	NA	NA
+PJ113110	ATKRRYW 	C45H69N15O10	979.5352	NA	PeJP	NA	NA
+PJ113111	PCHRRRR 	C38H69N21O8S	979.5359	NA	PeJP	NA	NA
+PJ113112	SSSSLLKKM 	C41H77N11O14S	979.5372	NA	PeJP	NA	NA
+PJ113113	GTTTTLKKM 	C41H77N11O14S	979.5373	NA	PeJP	NA	NA
+PJ113114	ATTLLLYW 	C49H73N9O12	979.5379	NA	PeJP	NA	NA
+PJ113115	ALKKKMMM 	C42H81N11O9S3	979.5381	NA	PeJP	NA	NA
+PJ113116	VQKMRRY 	C42H73N15O10S	979.5386	NA	PeJP	NA	NA
+PJ113117	VKHFFFR 	C50H69N13O8	979.5392	NA	PeJP	NA	NA
+PJ113118	PVKKHWW 	C50H69N13O8	979.5393	NA	PeJP	NA	NA
+PJ113119	ALLLKEMY 	C46H77N9O12S	979.5413	NA	PeJP	NA	NA
+PJ113120	SCCKKKKR 	C39H77N15O10S2	979.542	NA	PeJP	NA	NA
+PJ113121	SSRRRRY 	C39H69N19O11	979.5424	NA	PeJP	NA	NA
+PJ113122	GGLEHRRR 	C39H69N19O11	979.5425	NA	PeJP	NA	NA
+PJ113123	CLKKFRW 	C47H73N13O8S	979.5426	NA	PeJP	NA	NA
+PJ113124	KKKEERY 	C43H73N13O13	979.5451	NA	PeJP	NA	NA
+PJ113125	GGGGGGAPPLLK 	C43H73N13O13	979.5452	NA	PeJP	NA	NA
+PJ113126	PTKHRRW 	C44H69N17O9	979.5465	NA	PeJP	NA	NA
+PJ113127	GSSSKKKKM 	C40H77N13O13S	979.5485	NA	PeJP	NA	NA
+PJ113128	VKKKEYW 	C48H73N11O11	979.5491	NA	PeJP	NA	NA
+PJ113129	AVLLLEHW 	C48H73N11O11	979.5492	NA	PeJP	NA	NA
+PJ113130	AKMRRRY 	C41H73N17O9S	979.5498	NA	PeJP	NA	NA
+PJ113131	ATLLLMRY 	C45H77N11O11S	979.5525	NA	PeJP	NA	NA
+PJ113132	AALLLFFW 	C53H73N9O9	979.5532	NA	PeJP	NA	NA
+PJ113133	AEHRRRR 	C38H69N21O10	979.5537	NA	PeJP	NA	NA
+PJ113134	STTTTTLKK 	C41H77N11O16	979.555	NA	PeJP	NA	NA
+PJ113135	TTLKKKMM 	C42H81N11O11S2	979.5559	NA	PeJP	NA	NA
+PJ113136	GSNKKKRY 	C42H73N15O12	979.5563	NA	PeJP	NA	NA
+PJ113137	TKKERRY 	C42H73N15O12	979.5564	NA	PeJP	NA	NA
+PJ113138	PVVLKMFF 	C50H77N9O9S	979.5565	NA	PeJP	NA	NA
+PJ113139	GLHRRRW 	C43H69N19O8	979.5577	NA	PeJP	NA	NA
+PJ113140	TTLLLKEY 	C46H77N9O14	979.559	NA	PeJP	NA	NA
+PJ113141	GPPLLLLEE 	C46H77N9O14	979.5591	NA	PeJP	NA	NA
+PJ113142	VVLLKMMF 	C47H81N9O9S2	979.5599	NA	PeJP	NA	NA
+PJ113143	SLKKRYW 	C47H73N13O10	979.5604	NA	PeJP	NA	NA
+PJ113144	PKMHRRR 	C40H73N19O8S	979.5611	NA	PeJP	NA	NA
+PJ113145	GCLLKKRY 	C44H77N13O10S	979.5637	NA	PeJP	NA	NA
+PJ113146	AALKKMRY 	C44H77N13O10S	979.5638	NA	PeJP	NA	NA
+PJ113147	LLLLHWW 	C52H73N11O8	979.5644	NA	PeJP	NA	NA
+PJ113148	SSSSTKKKK 	C40H77N13O15	979.5662	NA	PeJP	NA	NA
+PJ113149	SCKKKKKM 	C41H81N13O10S2	979.5671	NA	PeJP	NA	NA
+PJ113150	TTKRRRY 	C41H73N17O11	979.5676	NA	PeJP	NA	NA
+PJ113151	LKKKMFW 	C49H77N11O8S	979.5678	NA	PeJP	NA	NA
+PJ113152	TTTLLLRY 	C45H77N11O13	979.5703	NA	PeJP	NA	NA
+PJ113153	GPPVLRRW 	C46H73N15O9	979.5716	NA	PeJP	NA	NA
+PJ113154	PPLLLLEW 	C50H77N9O11	979.5743	NA	PeJP	NA	NA
+PJ113155	VKKMRRY 	C43H77N15O9S	979.575	NA	PeJP	NA	NA
+PJ113156	SLLLLKMY 	C47H81N9O11S	979.5777	NA	PeJP	NA	NA
+PJ113157	VKEHRRR 	C40H73N19O10	979.5788	NA	PeJP	NA	NA
+PJ113158	ATTLKKRY 	C44H77N13O12	979.5815	NA	PeJP	NA	NA
+PJ113159	AKFFRRR 	C45H73N17O8	979.5828	NA	PeJP	NA	NA
+PJ113160	PPLRRRW 	C45H73N17O8	979.5829	NA	PeJP	NA	NA
+PJ113161	SVLLLLHW 	C49H77N11O10	979.5855	NA	PeJP	NA	NA
+PJ113162	GLLKKKMY 	C46H81N11O10S	979.5889	NA	PeJP	NA	NA
+PJ113163	SLHRRRR 	C39H73N21O9	979.5901	NA	PeJP	NA	NA
+PJ113164	PPTLLQRR 	C43H77N15O11	979.5927	NA	PeJP	NA	NA
+PJ113165	PPVVKERR 	C43H77N15O11	979.5928	NA	PeJP	NA	NA
+PJ113166	SPPVLLLLE 	C47H81N9O13	979.5954	NA	PeJP	NA	NA
+PJ113167	APPLLKRW 	C48H77N13O9	979.5968	NA	PeJP	NA	NA
+PJ113168	VVLLLMHR 	C45H81N13O9S	979.6001	NA	PeJP	NA	NA
+MJ099072	Prorocentrolide 	C56H85NO13	979.602091	NA	MeJP	NA	NA
+PJ113169	SPPVLRRR 	C42H77N17O10	979.604	NA	PeJP	NA	NA
+PJ113170	STLLKKKY 	C46H81N11O12	979.6067	NA	PeJP	NA	NA
+PJ113171	LLKKHRW 	C47H77N15O8	979.608	NA	PeJP	NA	NA
+PJ113172	ALLLLKFY 	C51H81N9O10	979.6107	NA	PeJP	NA	NA
+PJ113173	APPLLLLLM 	C48H85N9O10S	979.6141	NA	PeJP	NA	NA
+PJ113174	QKKKHRR 	C41H77N19O9	979.6152	NA	PeJP	NA	NA
+PJ113175	GTKKKKKY 	C45H81N13O11	979.6179	NA	PeJP	NA	NA
+PJ113176	PPVLLKKW 	C50H81N11O9	979.6219	NA	PeJP	NA	NA
+PJ113177	LLLLLKMH 	C47H85N11O9S	979.6253	NA	PeJP	NA	NA
+PJ113178	PPTLLKRR 	C44H81N15O10	979.6291	NA	PeJP	NA	NA
+PJ113179	GPLLLLLLE 	C48H85N9O12	979.6318	NA	PeJP	NA	NA
+PJ113180	GPLLLRRR 	C43H81N17O9	979.6404	NA	PeJP	NA	NA
+PJ113181	APPTLLLKK 	C47H85N11O11	979.643	NA	PeJP	NA	NA
+PJ113182	PPVVVTLKK 	C47H85N11O11	979.6431	NA	PeJP	NA	NA
+PJ113183	PLLLLLLW 	C52H85N9O9	979.6471	NA	PeJP	NA	NA
+PJ113184	KKKKHRR 	C42H81N19O8	979.6516	NA	PeJP	NA	NA
+PJ113185	PLLLLQKR 	C46H85N13O10	979.6543	NA	PeJP	NA	NA
+PJ113186	PVVLLKRR 	C45H85N15O9	979.6655	NA	PeJP	NA	NA
+PJ113187	SPVLLLLLL 	C49H89N9O11	979.6682	NA	PeJP	NA	NA
+PJ113188	GPVLLLLKK 	C48H89N11O10	979.6794	NA	PeJP	NA	NA
+PJ113189	PLLLLKKR 	C47H89N13O9	979.6907	NA	PeJP	NA	NA
+PJ113190	GLLLLLLLL 	C50H93N9O10	979.7046	NA	PeJP	NA	NA
+MJ099073	2-Amino-1,3,4-hexadecanetriol, N-(2R-Hydroxytetracosanoyl), 1-O-[?-D-galactofuranosyl-(1?3)-?-D-galactopyranoside] 	C52H101NO15	979.717121	NA	MeJP	NA	NA
+MJ099074	Acanthalactoside A 	C52H101NO15	979.717121	NA	MeJP	NA	NA
+PJ113191	CCCCCCNDD 	C30H48N10O15S6	980.1625	NA	PeJP	NA	NA
+PJ113192	GSPCCCCCCC 	C31H52N10O12S7	980.1812	NA	PeJP	NA	NA
+PJ113193	SCCCCCNDM 	C31H52N10O14S6	980.1989	NA	PeJP	NA	NA
+PJ113194	GTCCCCCCW 	C35H52N10O11S6	980.2142	NA	PeJP	NA	NA
+PJ113195	GSSSCCCCCE 	C31H52N10O16S5	980.2167	NA	PeJP	NA	NA
+PJ113196	GCCCCCQMM 	C32H56N10O11S7	980.2175	NA	PeJP	NA	NA
+PJ113197	GGACCCCCMM 	C32H56N10O11S7	980.2176	NA	PeJP	NA	NA
+PJ113198	GCCCCCCMR 	C31H56N12O10S7	980.2288	NA	PeJP	NA	NA
+PJ113199	SSSCCCCCW 	C35H52N10O13S5	980.2319	NA	PeJP	NA	NA
+PJ113200	SSSSSCCCCD 	C31H52N10O18S4	980.2344	NA	PeJP	NA	NA
+PJ113201	SSCCCCNMM 	C32H56N10O13S6	980.2353	NA	PeJP	NA	NA
+PJ113202	CCCDDEMY 	C36H52N8O16S4	980.2385	NA	PeJP	NA	NA
+PJ113203	GCCCNDDDH 	C33H48N12O17S3	980.2423	NA	PeJP	NA	NA
+PJ113204	CCCEMMMM 	C34H60N8O11S7	980.2427	NA	PeJP	NA	NA
+PJ113205	STCCCCCCR 	C31H56N12O12S6	980.2465	NA	PeJP	NA	NA
+PJ113206	CCCCCNFW 	C39H52N10O10S5	980.2472	NA	PeJP	NA	NA
+PJ113207	GSCCCCNEY 	C35H52N10O15S4	980.2497	NA	PeJP	NA	NA
+PJ113208	GSSSTCCCCM 	C32H56N10O15S5	980.2531	NA	PeJP	NA	NA
+PJ113209	GCCCCCKMM 	C33H60N10O10S7	980.2539	NA	PeJP	NA	NA
+PJ113210	CCCDEMMF 	C37H56N8O13S5	980.2571	NA	PeJP	NA	NA
+MJ099075	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[4-Hydroxybenzoyl-(??)-[4-hydroxybenzoyl-(??)]-[?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside]], 7-O-?-D-glucopyranoside 	C47H49O23(+)	980.258637	NA	MeJP	NA	NA
+PJ113211	SPCCCCNDH 	C34H52N12O14S4	980.2609	NA	PeJP	NA	NA
+PJ113212	SCCCCNYW 	C39H52N10O12S4	980.2649	NA	PeJP	NA	NA
+PJ113213	SSSCCCNDY 	C35H52N10O17S3	980.2674	NA	PeJP	NA	NA
+PJ113214	CDDDDMMH 	C35H52N10O17S3	980.2675	NA	PeJP	NA	NA
+PJ113215	CCCNNMMY 	C36H56N10O12S5	980.2683	NA	PeJP	NA	NA
+PJ113216	SSSSSSCCCM 	C32H56N10O17S4	980.2708	NA	PeJP	NA	NA
+PJ113217	PCCCDDYY 	C40H52N8O15S3	980.2715	NA	PeJP	NA	NA
+PJ113218	STCCCCCKM 	C33H60N10O12S6	980.2717	NA	PeJP	NA	NA
+PJ113219	GCCCCNNQH 	C33H52N14O13S4	980.2721	NA	PeJP	NA	NA
+PJ113220	GGGCCCCNQH 	C33H52N14O13S4	980.2722	NA	PeJP	NA	NA
+PJ113221	DDDDDEEE 	C35H48N8O25	980.2731	NA	PeJP	NA	NA
+PJ113222	SCCDEMMY 	C37H56N8O15S4	980.2748	NA	PeJP	NA	NA
+PJ113223	PCCCMMMY 	C38H60N8O10S6	980.2757	NA	PeJP	NA	NA
+PJ113224	CCCCEHHF 	C38H52N12O11S4	980.2762	NA	PeJP	NA	NA
+PJ113225	GCNNNDDDD 	C33H48N12O21S	980.2778	NA	PeJP	NA	NA
+PJ113226	GSCCNDDMH 	C34H52N12O16S3	980.2787	NA	PeJP	NA	NA
+PJ113227	TCCMMMMM 	C35H64N8O10S7	980.2791	NA	PeJP	NA	NA
+PJ113228	CCCCCQRY 	C35H56N12O11S5	980.2795	NA	PeJP	NA	NA
+PJ113229	GSCCCCCFR 	C35H56N12O11S5	980.2796	NA	PeJP	NA	NA
+MJ099076	3,4,7a,8,11-Pentahydroxy-1,13-dimethyl-7aH-dibenzo[c,kl]xanthen-12-one; 4,8-Bis-O-[?-D-xylopyranosyl-(1?6)-?-D-glucopyranoside] 	C44H52O25	980.279767	NA	MeJP	NA	NA
+PJ113230	CDDDDDHF 	C38H48N10O19S	980.2818	NA	PeJP	NA	NA
+PJ113231	CCCNNDFY 	C39H52N10O14S3	980.2827	NA	PeJP	NA	NA
+PJ113232	GSNDDDDDE 	C34H48N10O24	980.2843	NA	PeJP	NA	NA
+PJ113233	GGGSDDDDDE 	C34H48N10O24	980.2844	NA	PeJP	NA	NA
+PJ113234	GPCNDDDDM 	C35H52N10O19S2	980.2852	NA	PeJP	NA	NA
+PJ113235	GSSCCCQMY 	C36H56N10O14S4	980.2861	NA	PeJP	NA	NA
+PJ113236	CCDDDHHH 	C36H48N14O15S2	980.2866	NA	PeJP	NA	NA
+PJ113237	GCDDDMYY 	C40H52N8O17S2	980.2892	NA	PeJP	NA	NA
+PJ113238	SSCCCNNNH 	C33H52N14O15S3	980.2899	NA	PeJP	NA	NA
+PJ113239	PCCCDMFY 	C41H56N8O12S4	980.2901	NA	PeJP	NA	NA
+PJ113240	GPCCCCCHR 	C34H56N14O10S5	980.2908	NA	PeJP	NA	NA
+PJ113241	GCDMMMMY 	C38H60N8O12S5	980.2935	NA	PeJP	NA	NA
+PJ113242	SCCCNEHW 	C38H52N12O13S3	980.2939	NA	PeJP	NA	NA
+PJ113243	SSSCCNDEH 	C34H52N12O18S2	980.2964	NA	PeJP	NA	NA
+PJ113244	GGGGSPCCNDD 	C34H52N12O18S2	980.2965	NA	PeJP	NA	NA
+PJ113245	GSSCCCCRY 	C35H56N12O13S4	980.2973	NA	PeJP	NA	NA
+PJ113246	SNDDDDDW 	C38H48N10O21	980.2996	NA	PeJP	NA	NA
+PJ113247	SCCNNDYY 	C39H52N10O16S2	980.3004	NA	PeJP	NA	NA
+PJ113248	PCCNDDEW 	C39H52N10O16S2	980.3005	NA	PeJP	NA	NA
+PJ113249	CCCNNMFF 	C40H56N10O11S4	980.3013	NA	PeJP	NA	NA
+PJ113250	NNDDDEEM 	C35H52N10O21S	980.303	NA	PeJP	NA	NA
+PJ113251	SSSSCCNMY 	C36H56N10O16S3	980.3038	NA	PeJP	NA	NA
+PJ113252	CCDEYYW 	C44H52N8O14S2	980.3045	NA	PeJP	NA	NA
+PJ113253	CCCCQKMY 	C37H60N10O11S5	980.3047	NA	PeJP	NA	NA
+PJ113254	SSCDDEYY 	C40H52N8O19S	980.307	NA	PeJP	NA	NA
+PJ113255	GCCNNNNNE 	C33H52N14O17S2	980.3077	NA	PeJP	NA	NA
+PJ113256	SPCCDMYY 	C41H56N8O14S3	980.3078	NA	PeJP	NA	NA
+PJ113257	GCDDMMFY 	C41H56N8O14S3	980.3079	NA	PeJP	NA	NA
+PJ113258	CCCNDMHR 	C34H56N14O12S4	980.3085	NA	PeJP	NA	NA
+PJ113259	GGCCCDMHR 	C34H56N14O12S4	980.3086	NA	PeJP	NA	NA
+PJ113260	PCCCMMFF 	C42H60N8O9S5	980.3087	NA	PeJP	NA	NA
+PJ113261	GSCCCHWW 	C42H52N12O10S3	980.3092	NA	PeJP	NA	NA
+PJ113262	SDDEEEEE 	C36H52N8O24	980.3095	NA	PeJP	NA	NA
+PJ113263	PDDDEEMM 	C37H56N8O19S2	980.3104	NA	PeJP	NA	NA
+PJ113264	SSCEMMMY 	C38H60N8O14S4	980.3112	NA	PeJP	NA	NA
+PJ113265	GSSSCCDHW 	C38H52N12O15S2	980.3117	NA	PeJP	NA	NA
+PJ113266	GCMMMMMF 	C39H64N8O9S6	980.3121	NA	PeJP	NA	NA
+PJ113267	GCCNMMHW 	C39H56N12O10S4	980.3126	NA	PeJP	NA	NA
+PJ113268	CNDDDDER 	C34H52N12O20S	980.3142	NA	PeJP	NA	NA
+PJ113269	GSSCNDMMH 	C35H56N12O15S3	980.3151	NA	PeJP	NA	NA
+PJ113270	GPCCDDWW 	C43H52N10O13S2	980.3157	NA	PeJP	NA	NA
+PJ113271	CCCCCKRY 	C36H60N12O10S5	980.3159	NA	PeJP	NA	NA
+PJ113272	CCCNQHHH 	C36H52N16O11S3	980.3164	NA	PeJP	NA	NA
+PJ113273	GNDDDEMW 	C39H52N10O18S	980.3182	NA	PeJP	NA	NA
+PJ113274	GSPPCCCEW 	C40H56N10O13S3	980.3191	NA	PeJP	NA	NA
+PJ113275	GSSNDDEEE 	C35H52N10O23	980.3207	NA	PeJP	NA	NA
+PJ113276	GSSSSSTCCY 	C36H56N10O18S2	980.3216	NA	PeJP	NA	NA
+PJ113277	NNDDDDHH 	C36H48N14O19	980.3221	NA	PeJP	NA	NA
+PJ113278	GCDDDFFY 	C44H52N8O16S	980.3222	NA	PeJP	NA	NA
+PJ113279	GTTCCCCKY 	C37H60N10O13S4	980.3224	NA	PeJP	NA	NA
+PJ113280	GSSCCCKMY 	C37H60N10O13S4	980.3225	NA	PeJP	NA	NA
+PJ113281	CCNNNNNW 	C37H52N14O14S2	980.3229	NA	PeJP	NA	NA
+PJ113282	GGGGGGGGCCNW 	C37H52N14O14S2	980.323	NA	PeJP	NA	NA
+PJ113283	CCEMFYW 	C45H56N8O11S3	980.3231	NA	PeJP	NA	NA
+PJ113284	ACCCCHRW 	C38H56N14O9S4	980.3238	NA	PeJP	NA	NA
+PJ113285	PDDDDEEF 	C40H52N8O21	980.3248	NA	PeJP	NA	NA
+PJ113286	SSCNNNNND 	C33H52N14O19S	980.3254	NA	PeJP	NA	NA
+PJ113287	GGGGGGGGSSCND 	C33H52N14O19S	980.3255	NA	PeJP	NA	NA
+PJ113288	GSDDMMYY 	C41H56N8O16S2	980.3256	NA	PeJP	NA	NA
+PJ113289	GSSCCCEHR 	C34H56N14O14S3	980.3263	NA	PeJP	NA	NA
+PJ113290	APCCMMYY 	C42H60N8O11S4	980.3265	NA	PeJP	NA	NA
+PJ113291	GCCNDHFW 	C42H52N12O12S2	980.327	NA	PeJP	NA	NA
+PJ113292	GEEEEEEM 	C37H56N8O21S	980.3281	NA	PeJP	NA	NA
+PJ113293	SCNNNDEW 	C38H52N12O17S	980.3294	NA	PeJP	NA	NA
+PJ113294	GCDDDDRW 	C38H52N12O17S	980.3295	NA	PeJP	NA	NA
+PJ113295	GSMMMMMY 	C39H64N8O11S5	980.3298	NA	PeJP	NA	NA
+PJ113296	SSCCQMHW 	C39H56N12O12S3	980.3303	NA	PeJP	NA	NA
+PJ113297	SSSNNNDDE 	C34H52N12O22	980.3319	NA	PeJP	NA	NA
+PJ113298	GSSDDDDDR 	C34H52N12O22	980.332	NA	PeJP	NA	NA
+PJ113299	GSPCCDDER 	C35H56N12O17S2	980.3328	NA	PeJP	NA	NA
+PJ113300	GGGGGGGGDEMM 	C35H56N12O17S2	980.3329	NA	PeJP	NA	NA
+PJ113301	NDDDMWW 	C43H52N10O15S	980.3335	NA	PeJP	NA	NA
+PJ113302	GPPCCCDMR 	C36H60N12O12S4	980.3337	NA	PeJP	NA	NA
+PJ113303	GSSCCNHHH 	C36H52N16O13S2	980.3342	NA	PeJP	NA	NA
+PJ113304	SPPCCCWW 	C44H56N10O10S3	980.3343	NA	PeJP	NA	NA
+PJ113305	SSNDDEEW 	C39H52N10O20	980.336	NA	PeJP	NA	NA
+PJ113306	SPCNDEMW 	C40H56N10O15S2	980.3368	NA	PeJP	NA	NA
+PJ113307	GGSPCDEMW 	C40H56N10O15S2	980.3369	NA	PeJP	NA	NA
+PJ113308	DMMMMHW 	C41H60N10O10S4	980.3377	NA	PeJP	NA	NA
+PJ113309	SSSSSSSSCY 	C36H56N10O20S	980.3393	NA	PeJP	NA	NA
+PJ113310	GGGGSEEEEM 	C36H56N10O20S	980.3394	NA	PeJP	NA	NA
+PJ113311	NDDEYYY 	C44H52N8O18	980.34	NA	PeJP	NA	NA
+PJ113312	SSSTCCCKY 	C37H60N10O15S3	980.3402	NA	PeJP	NA	NA
+PJ113313	GSPCNDDHH 	C37H52N14O16S	980.3407	NA	PeJP	NA	NA
+PJ113314	SCEMYYW 	C45H56N8O13S2	980.3409	NA	PeJP	NA	NA
+PJ113315	CCCCKKMY 	C38H64N10O10S5	980.3411	NA	PeJP	NA	NA
+PJ113316	SSCCCHRW 	C38H56N14O11S3	980.3416	NA	PeJP	NA	NA
+PJ113317	EEEEEMW 	C41H56N8O18S	980.3434	NA	PeJP	NA	NA
+PJ113318	GSCNNNNQM 	C34H56N14O16S2	980.344	NA	PeJP	NA	NA
+PJ113319	SSSSCCDHR 	C34H56N14O16S2	980.3441	NA	PeJP	NA	NA
+PJ113320	NEMMMYY 	C42H60N8O13S3	980.3442	NA	PeJP	NA	NA
+PJ113321	GSCNNDWW 	C42H52N12O14S	980.3447	NA	PeJP	NA	NA
+PJ113322	SCCNMMHR 	C35H60N14O11S4	980.3449	NA	PeJP	NA	NA
+PJ113323	GCCMHHFF 	C43H56N12O9S3	980.3456	NA	PeJP	NA	NA
+PJ113324	STEEEEEE 	C37H56N8O23	980.3459	NA	PeJP	NA	NA
+PJ113325	SPEEEEMM 	C38H60N8O18S2	980.3467	NA	PeJP	NA	NA
+PJ113326	GSSSNNDDW 	C38H52N12O19	980.3472	NA	PeJP	NA	NA
+PJ113327	SSTMMMMY 	C39H64N8O13S4	980.3476	NA	PeJP	NA	NA
+PJ113328	SPCCDDRW 	C39H56N12O14S2	980.3481	NA	PeJP	NA	NA
+PJ113329	GCDEWWW 	C47H52N10O12S	980.3487	NA	PeJP	NA	NA
+PJ113330	ACCCKMHW 	C40H60N12O9S4	980.349	NA	PeJP	NA	NA
+PJ113331	SNDDDEMR 	C35H56N12O19S	980.3506	NA	PeJP	NA	NA
+PJ113332	GSSDDEWW 	C43H52N10O17	980.3512	NA	PeJP	NA	NA
+PJ113333	SSPPCCCER 	C36H60N12O14S3	980.3514	NA	PeJP	NA	NA
+PJ113334	PCNDDMMR 	C36H60N12O14S3	980.3515	NA	PeJP	NA	NA
+PJ113335	CNNNNEHH 	C36H52N16O15S	980.3519	NA	PeJP	NA	NA
+PJ113336	GGGGGGGGCEHH 	C36H52N16O15S	980.352	NA	PeJP	NA	NA
+PJ113337	GSPCDMWW 	C44H56N10O12S2	980.3521	NA	PeJP	NA	NA
+PJ113338	CCCNKHHH 	C37H56N16O10S3	980.3528	NA	PeJP	NA	NA
+PJ113339	GSNEEEMW 	C40H56N10O17S	980.3546	NA	PeJP	NA	NA
+PJ113340	GDDYYYW 	C48H52N8O15	980.3552	NA	PeJP	NA	NA
+PJ113341	GSCCNNNNR 	C33H56N16O15S2	980.3553	NA	PeJP	NA	NA
+PJ113342	GPNDMMMW 	C41H60N10O12S3	980.3555	NA	PeJP	NA	NA
+PJ113343	GCDEHHHF 	C41H52N14O13S	980.356	NA	PeJP	NA	NA
+PJ113344	PCCFYYW 	C49H56N8O10S2	980.3561	NA	PeJP	NA	NA
+PJ113345	TCCCCHRR 	C34H60N16O10S4	980.3562	NA	PeJP	NA	NA
+PJ113346	CMMHHHW 	C42H56N14O8S3	980.3568	NA	PeJP	NA	NA
+PJ113347	GSSSQEEEE 	C36H56N10O22	980.3571	NA	PeJP	NA	NA
+PJ113348	GQQEEEMM 	C37H60N10O17S2	980.358	NA	PeJP	NA	NA
+PJ113349	NNNNNNDY 	C37H52N14O18	980.3584	NA	PeJP	NA	NA
+PJ113350	GGGGGGNNNDY 	C37H52N14O18	980.3585	NA	PeJP	NA	NA
+PJ113351	GSPCEYYY 	C45H56N8O15S	980.3586	NA	PeJP	NA	NA
+PJ113352	ATEMMMMH 	C38H64N10O12S4	980.3588	NA	PeJP	NA	NA
+PJ113353	GGGPPTCMMM 	C38H64N10O12S4	980.3589	NA	PeJP	NA	NA
+PJ113354	GCCNNERW 	C38H56N14O13S2	980.3593	NA	PeJP	NA	NA
+PJ113355	GMMMYYW 	C46H60N8O10S3	980.3595	NA	PeJP	NA	NA
+PJ113356	ACCHHHHH 	C39H52N18O9S2	980.3607	NA	PeJP	NA	NA
+PJ113357	GPEEEEEY 	C41H56N8O20	980.3611	NA	PeJP	NA	NA
+PJ113358	SCDDDDRR 	C34H56N14O18S	980.3618	NA	PeJP	NA	NA
+PJ113359	GSTEMMYY 	C42H60N8O15S2	980.362	NA	PeJP	NA	NA
+PJ113360	GNNNDDFW 	C42H52N12O16	980.3625	NA	PeJP	NA	NA
+PJ113361	PCCCDERR 	C35H60N14O13S3	980.3627	NA	PeJP	NA	NA
+PJ113362	QMMMMFY 	C43H64N8O10S4	980.3629	NA	PeJP	NA	NA
+PJ113363	CNNQMWW 	C43H56N12O11S2	980.3633	NA	PeJP	NA	NA
+PJ113364	GGGGGACMWW 	C43H56N12O11S2	980.3634	NA	PeJP	NA	NA
+PJ113365	CDWWWW 	C51H52N10O9S	980.364	NA	PeJP	NA	NA
+PJ113366	SVEEEEEM 	C38H60N8O20S	980.3645	NA	PeJP	NA	NA
+PJ113367	PVDEEMMM 	C39H64N8O15S3	980.3654	NA	PeJP	NA	NA
+PJ113368	GSDDDMRW 	C39H56N12O16S	980.3658	NA	PeJP	NA	NA
+PJ113369	GGGGGGSSEMW 	C39H56N12O16S	980.3659	NA	PeJP	NA	NA
+PJ113370	SSDDWWW 	C47H52N10O14	980.3665	NA	PeJP	NA	NA
+PJ113371	GPCCEMRW 	C40H60N12O11S3	980.3667	NA	PeJP	NA	NA
+PJ113372	GCNNNHHW 	C40H52N16O12S	980.3672	NA	PeJP	NA	NA
+PJ113373	PTCCWWW 	C48H56N10O9S2	980.3673	NA	PeJP	NA	NA
+PJ113374	GSSSDDEER 	C35H56N12O21	980.3683	NA	PeJP	NA	NA
+PJ113375	GGGGGGSSSTEE 	C35H56N12O21	980.3684	NA	PeJP	NA	NA
+PJ113376	GNDEEMMR 	C36H60N12O16S2	980.3692	NA	PeJP	NA	NA
+PJ113377	GSSNNNDHH 	C36H52N16O17	980.3697	NA	PeJP	NA	NA
+PJ113378	NNNMYYY 	C44H56N10O14S	980.3698	NA	PeJP	NA	NA
+PJ113379	SNEEMWW 	C44H56N10O14S	980.3699	NA	PeJP	NA	NA
+PJ113380	GSPPCCMMR 	C37H64N12O11S4	980.3701	NA	PeJP	NA	NA
+PJ113381	PCCNDHHR 	C37H56N16O12S2	980.3706	NA	PeJP	NA	NA
+PJ113382	PCQMMWW 	C45H60N10O9S3	980.3707	NA	PeJP	NA	NA
+PJ113383	CDHHHFW 	C45H52N14O10S	980.3712	NA	PeJP	NA	NA
+PJ113384	SSSQEEEW 	C40H56N10O19	980.3723	NA	PeJP	NA	NA
+PJ113385	GGSSTEEEW 	C40H56N10O19	980.3724	NA	PeJP	NA	NA
+PJ113386	QQEEMMW 	C41H60N10O14S2	980.3732	NA	PeJP	NA	NA
+PJ113387	GSNDEHHW 	C41H52N14O15	980.3737	NA	PeJP	NA	NA
+PJ113388	SPCYYYW 	C49H56N8O12S	980.3739	NA	PeJP	NA	NA
+PJ113389	CMMMFRY 	C42H64N10O9S4	980.3741	NA	PeJP	NA	NA
+PJ113390	CCNNRWW 	C42H56N14O10S2	980.3746	NA	PeJP	NA	NA
+PJ113391	SNDKEEEM 	C37H60N10O19S	980.3757	NA	PeJP	NA	NA
+PJ113392	PEEEEYW 	C45H56N8O17	980.3764	NA	PeJP	NA	NA
+PJ113393	TTTEMMMH 	C38H64N10O14S3	980.3766	NA	PeJP	NA	NA
+PJ113394	SSCNNDRW 	C38H56N14O15S	980.3771	NA	PeJP	NA	NA
+PJ113395	STMMYYW 	C46H60N8O12S2	980.3772	NA	PeJP	NA	NA
+PJ113396	GGEMMFFY 	C46H60N8O12S2	980.3773	NA	PeJP	NA	NA
+PJ113397	GLMMMMMH 	C39H68N10O9S5	980.3775	NA	PeJP	NA	NA
+PJ113398	GCCQMHFR 	C39H60N14O10S3	980.3779	NA	PeJP	NA	NA
+PJ113399	GGACCMHFR 	C39H60N14O10S3	980.378	NA	PeJP	NA	NA
+PJ113400	SSCHHHHH 	C39H52N18O11S	980.3784	NA	PeJP	NA	NA
+PJ113401	SSSSNNDDR 	C34H56N14O20	980.3796	NA	PeJP	NA	NA
+PJ113402	SSTTEMYY 	C42H60N8O17S	980.3797	NA	PeJP	NA	NA
+PJ113403	SPPEEEMY 	C42H60N8O17S	980.3798	NA	PeJP	NA	NA
+PJ113404	VCCDDDRR 	C35H60N14O15S2	980.3804	NA	PeJP	NA	NA
+PJ113405	GCDDEMRR 	C35H60N14O15S2	980.3805	NA	PeJP	NA	NA
+PJ113406	DKMMMYY 	C43H64N8O12S3	980.3806	NA	PeJP	NA	NA
+PJ113407	SCDERWW 	C43H56N12O13S	980.3811	NA	PeJP	NA	NA
+PJ113408	TCCCKMHR 	C36H64N14O10S4	980.3813	NA	PeJP	NA	NA
+PJ113409	PCCMRWW 	C44H60N12O8S3	980.382	NA	PeJP	NA	NA
+PJ113410	ALEEEEMM 	C39H64N8O17S2	980.3831	NA	PeJP	NA	NA
+PJ113411	SSSDDERW 	C39H56N12O18	980.3836	NA	PeJP	NA	NA
+PJ113412	ATNNNMMW 	C40H60N12O13S2	980.3844	NA	PeJP	NA	NA
+PJ113413	NDEMMRW 	C40H60N12O13S2	980.3845	NA	PeJP	NA	NA
+PJ113414	SPDDHHHH 	C40H52N16O14	980.3849	NA	PeJP	NA	NA
+PJ113415	GSEMWWW 	C48H56N10O11S	980.3851	NA	PeJP	NA	NA
+PJ113416	ASSSNQQEM 	C36H60N12O18S	980.3869	NA	PeJP	NA	NA
+PJ113417	SSNEEEMR 	C36H60N12O18S	980.387	NA	PeJP	NA	NA
+PJ113418	GSSTEEWW 	C44H56N10O16	980.3876	NA	PeJP	NA	NA
+PJ113419	SPNDMMMR 	C37H64N12O13S3	980.3878	NA	PeJP	NA	NA
+PJ113420	GGGGGGVQMMM 	C37H64N12O13S3	980.3879	NA	PeJP	NA	NA
+PJ113421	GNDDMHHR 	C37H56N16O14S	980.3883	NA	PeJP	NA	NA
+PJ113422	AQEMMWW 	C45H60N10O11S2	980.3885	NA	PeJP	NA	NA
+PJ113423	SNDHHWW 	C45H52N14O12	980.389	NA	PeJP	NA	NA
+PJ113424	GCCCHFRR 	C38H60N16O9S3	980.3892	NA	PeJP	NA	NA
+PJ113425	GSDKEEMW 	C41H60N10O16S	980.391	NA	PeJP	NA	NA
+PJ113426	GTEYYYW 	C49H56N8O14	980.3916	NA	PeJP	NA	NA
+PJ113427	SCCNNERR 	C34H60N16O14S2	980.3917	NA	PeJP	NA	NA
+PJ113428	SMMMRYY 	C42H64N10O11S3	980.3918	NA	PeJP	NA	NA
+PJ113429	GPTQMMMW 	C42H64N10O11S3	980.3919	NA	PeJP	NA	NA
+PJ113430	NQEMHHW 	C42H56N14O12S	980.3923	NA	PeJP	NA	NA
+PJ113431	GGGGGGPPCHW 	C42H56N14O12S	980.3924	NA	PeJP	NA	NA
+PJ113432	GMMFFYW 	C50H60N8O9S2	980.3925	NA	PeJP	NA	NA
+PJ113433	GSSSKEEEE 	C37H60N10O21	980.3935	NA	PeJP	NA	NA
+PJ113434	APTTTNDMM 	C38H64N10O16S2	980.3943	NA	PeJP	NA	NA
+PJ113435	GQKEEEMM 	C38H64N10O16S2	980.3944	NA	PeJP	NA	NA
+PJ113436	GNNNDERY 	C38H56N14O17	980.3948	NA	PeJP	NA	NA
+PJ113437	GGGGGGGDERY 	C38H56N14O17	980.3949	NA	PeJP	NA	NA
+PJ113438	VNEMYYY 	C46H60N8O14S	980.395	NA	PeJP	NA	NA
+PJ113439	STLMMMMH 	C39H68N10O11S4	980.3952	NA	PeJP	NA	NA
+PJ113440	FYYYYY 	C54H56N6O12	980.3956	NA	PeJP	NA	NA
+PJ113441	CDDMRRW 	C39H60N14O12S2	980.3957	NA	PeJP	NA	NA
+PJ113442	QMMMFFF 	C47H64N8O9S3	980.3959	NA	PeJP	NA	NA
+PJ113443	GNNEHHHH 	C39H52N18O13	980.3962	NA	PeJP	NA	NA
+PJ113444	CNQHFFW 	C47H56N12O10S	980.3963	NA	PeJP	NA	NA
+PJ113445	GGCQHFFW 	C47H56N12O10S	980.3964	NA	PeJP	NA	NA
+PJ113446	SPVEEEEY 	C42H60N8O19	980.3975	NA	PeJP	NA	NA
+PJ113447	SSDDDMRR 	C35H60N14O17S	980.3982	NA	PeJP	NA	NA
+PJ113448	SSSLMMYY 	C43H64N8O14S2	980.3984	NA	PeJP	NA	NA
+PJ113449	SSSSNQWW 	C43H56N12O15	980.3988	NA	PeJP	NA	NA
+PJ113450	GGGGSSSTWW 	C43H56N12O15	980.3989	NA	PeJP	NA	NA
+PJ113451	SPCCEMRR 	C36H64N14O12S3	980.3991	NA	PeJP	NA	NA
+PJ113452	KMMMMFY 	C44H68N8O9S4	980.3992	NA	PeJP	NA	NA
+PJ113453	PPPMMMMF 	C44H68N8O9S4	980.3993	NA	PeJP	NA	NA
+PJ113454	SCNNNHHR 	C36H56N18O13S	980.3995	NA	PeJP	NA	NA
+PJ113455	GGGGSCNHHR 	C36H56N18O13S	980.3996	NA	PeJP	NA	NA
+PJ113456	GDMMRWW 	C44H60N12O10S2	980.3997	NA	PeJP	NA	NA
+PJ113457	SMWWWW 	C52H56N10O8S	980.4004	NA	PeJP	NA	NA
+PJ113458	TTLEEEEM 	C39H64N8O19S	980.4009	NA	PeJP	NA	NA
+PJ113459	PTLEEMMM 	C40H68N8O14S3	980.4018	NA	PeJP	NA	NA
+PJ113460	GSSEEMRW 	C40H60N12O15S	980.4022	NA	PeJP	NA	NA
+PJ113461	GGGGGGGGVEMF 	C40H60N12O15S	980.4023	NA	PeJP	NA	NA
+PJ113462	PPLMMMMM 	C41H72N8O9S5	980.4026	NA	PeJP	NA	NA
+PJ113463	SSTEWWW 	C48H56N10O13	980.4029	NA	PeJP	NA	NA
+PJ113464	GPTCMMRW 	C41H64N12O10S3	980.4031	NA	PeJP	NA	NA
+PJ113465	CNEHHRW 	C41H56N16O11S	980.4036	NA	PeJP	NA	NA
+PJ113466	AAMMWWW 	C49H60N10O8S2	980.4037	NA	PeJP	NA	NA
+PJ113467	GSSSTEEER 	C36H60N12O20	980.4047	NA	PeJP	NA	NA
+PJ113468	GTQEEMMR 	C37H64N12O15S2	980.4056	NA	PeJP	NA	NA
+PJ113469	ASSTNNNHH 	C37H56N16O16	980.406	NA	PeJP	NA	NA
+PJ113470	SSNDEHHR 	C37H56N16O16	980.4061	NA	PeJP	NA	NA
+PJ113471	SDKEMWW 	C45H60N10O13S	980.4062	NA	PeJP	NA	NA
+PJ113472	GGAAPEMYW 	C45H60N10O13S	980.4063	NA	PeJP	NA	NA
+PJ113473	GPQMMMMR 	C38H68N12O10S4	980.4065	NA	PeJP	NA	NA
+PJ113474	TYYYWW 	C53H56N8O11	980.4069	NA	PeJP	NA	NA
+PJ113475	PCKMMWW 	C46H64N10O8S3	980.4071	NA	PeJP	NA	NA
+PJ113476	GQMHHWW 	C46H56N14O9S	980.4076	NA	PeJP	NA	NA
+PJ113477	SSSKEEEW 	C41H60N10O18	980.4087	NA	PeJP	NA	NA
+PJ113478	GGGLQEEEY 	C41H60N10O18	980.4088	NA	PeJP	NA	NA
+PJ113479	GSSSCNDRR 	C34H60N16O16S	980.4094	NA	PeJP	NA	NA
+PJ113480	QKEEMMW 	C42H64N10O13S2	980.4096	NA	PeJP	NA	NA
+PJ113481	NNNDRYW 	C42H56N14O14	980.4101	NA	PeJP	NA	NA
+PJ113482	ACLYYYW 	C50H60N8O11S	980.4102	NA	PeJP	NA	NA
+PJ113483	GVMYYYW 	C50H60N8O11S	980.4103	NA	PeJP	NA	NA
+PJ113484	APCCKHHW 	C43H60N14O9S2	980.411	NA	PeJP	NA	NA
+PJ113485	NNHHHHW 	C43H52N18O10	980.4114	NA	PeJP	NA	NA
+PJ113486	STQKEEEM 	C38H64N10O18S	980.4121	NA	PeJP	NA	NA
+PJ113487	SSPTTYYY 	C46H60N8O16	980.4127	NA	PeJP	NA	NA
+PJ113488	LEEEEFW 	C46H60N8O16	980.4128	NA	PeJP	NA	NA
+PJ113489	SPQKEMMM 	C39H68N10O13S3	980.413	NA	PeJP	NA	NA
+PJ113490	SSSNNMRW 	C39H60N14O14S	980.4134	NA	PeJP	NA	NA
+PJ113491	GGSSSNMRW 	C39H60N14O14S	980.4135	NA	PeJP	NA	NA
+PJ113492	VQMMFYY 	C47H64N8O11S2	980.4136	NA	PeJP	NA	NA
+PJ113493	GNQQYWW 	C47H56N12O12	980.4141	NA	PeJP	NA	NA
+PJ113494	PPCCCFRR 	C40H64N14O9S3	980.4143	NA	PeJP	NA	NA
+PJ113495	SSSSSNQER 	C35H60N14O19	980.4159	NA	PeJP	NA	NA
+PJ113496	GGSSSSSQER 	C35H60N14O19	980.416	NA	PeJP	NA	NA
+PJ113497	TTTTTMYY 	C43H64N8O16S	980.4161	NA	PeJP	NA	NA
+PJ113498	GSDEMMRR 	C36H64N14O14S2	980.4168	NA	PeJP	NA	NA
+PJ113499	GGGGGGASCCKK 	C36H64N14O14S2	980.4169	NA	PeJP	NA	NA
+PJ113500	PPVEMMMF 	C44H68N8O11S3	980.417	NA	PeJP	NA	NA
+PJ113501	SSEMRWW 	C44H60N12O12S	980.4175	NA	PeJP	NA	NA
+PJ113502	GPCMMMRR 	C37H68N14O9S4	980.4177	NA	PeJP	NA	NA
+PJ113503	GSPYWWW 	C52H56N10O10	980.4181	NA	PeJP	NA	NA
+PJ113504	GCHHRWW 	C45H56N16O8S	980.4188	NA	PeJP	NA	NA
+PJ113505	SLLEEEMM 	C40H68N8O16S2	980.4195	NA	PeJP	NA	NA
+PJ113506	SSSTEERW 	C40H60N12O17	980.42	NA	PeJP	NA	NA
+PJ113507	PVLEMMMM 	C41H72N8O11S4	980.4204	NA	PeJP	NA	NA
+PJ113508	TQEMMRW 	C41H64N12O12S2	980.4208	NA	PeJP	NA	NA
+PJ113509	GATEMMRW 	C41H64N12O12S2	980.4209	NA	PeJP	NA	NA
+PJ113510	GSSDHHRW 	C41H56N16O13	980.4213	NA	PeJP	NA	NA
+PJ113511	GGGGGGGAAHHF 	C41H56N16O13	980.4214	NA	PeJP	NA	NA
+PJ113512	ATTMWWW 	C49H60N10O10S	980.4215	NA	PeJP	NA	NA
+PJ113513	GGACCCRRR 	C34H64N18O10S3	980.4216	NA	PeJP	NA	NA
+PJ113514	STTQEEMR 	C37H64N12O17S	980.4233	NA	PeJP	NA	NA
+PJ113515	SSDKEEMR 	C37H64N12O17S	980.4234	NA	PeJP	NA	NA
+PJ113516	SSSSLEWW 	C45H60N10O15	980.424	NA	PeJP	NA	NA
+PJ113517	GVQEMMMR 	C38H68N12O12S3	980.4242	NA	PeJP	NA	NA
+PJ113518	GCNNDFRR 	C38H60N16O13S	980.4247	NA	PeJP	NA	NA
+PJ113519	AKEMMWW 	C46H64N10O10S2	980.4249	NA	PeJP	NA	NA
+PJ113520	STQHHWW 	C46H56N14O11	980.4253	NA	PeJP	NA	NA
+PJ113521	GGGGPQHWW 	C46H56N14O11	980.4254	NA	PeJP	NA	NA
+PJ113522	GMFFFFW 	C54H60N8O8S	980.4255	NA	PeJP	NA	NA
+PJ113523	GTTKEEMW 	C42H64N10O15S	980.4274	NA	PeJP	NA	NA
+PJ113524	SSLYYYW 	C50H60N8O13	980.428	NA	PeJP	NA	NA
+PJ113525	SSCNQMRR 	C35H64N16O13S2	980.4281	NA	PeJP	NA	NA
+PJ113526	GPTKMMMW 	C43H68N10O10S3	980.4282	NA	PeJP	NA	NA
+PJ113527	GGGVLMMMW 	C43H68N10O10S3	980.4283	NA	PeJP	NA	NA
+MJ099077	Furosta-5,25(27)-diene-1,3,22,26-tetrol, 22-Me ether, 1-O-[?-L-rhamnopyranosyl-(1?2)-4-O-sulfo-?-L-arabinopyranoside], 26-O-?-D-glucopyranoside 	C45H72O21S	980.42868	NA	MeJP	NA	NA
+PJ113528	NNNMFRW 	C43H60N14O11S	980.4287	NA	PeJP	NA	NA
+PJ113529	GSTTTKEEE 	C38H64N10O20	980.4299	NA	PeJP	NA	NA
+PJ113530	ADKKEEMM 	C39H68N10O15S2	980.4307	NA	PeJP	NA	NA
+PJ113531	GKKEEEMM 	C39H68N10O15S2	980.4308	NA	PeJP	NA	NA
+PJ113532	GSSSSSQRW 	C39H60N14O16	980.4312	NA	PeJP	NA	NA
+PJ113533	GGGGGGGGGGPPPT 	C39H60N14O16	980.4313	NA	PeJP	NA	NA
+PJ113534	VDKMYYY 	C47H64N8O13S	980.4314	NA	PeJP	NA	NA
+PJ113535	PVNKMMMM 	C40H72N10O10S4	980.4316	NA	PeJP	NA	NA
+PJ113536	SDMMRRW 	C40H64N14O11S2	980.4321	NA	PeJP	NA	NA
+PJ113537	KMMMFFF 	C48H68N8O8S3	980.4323	NA	PeJP	NA	NA
+PJ113538	EEHHHHR 	C40H56N18O12	980.4326	NA	PeJP	NA	NA
+PJ113539	APCRYWW 	C48H60N12O9S	980.4327	NA	PeJP	NA	NA
+PJ113540	AFWWWW 	C56H56N10O7	980.4334	NA	PeJP	NA	NA
+PJ113541	GLLEEEEY 	C43H64N8O18	980.4339	NA	PeJP	NA	NA
+PJ113542	SSSEEMRR 	C36H64N14O16S	980.4346	NA	PeJP	NA	NA
+PJ113543	PPTLEMMY 	C44H68N8O13S2	980.4348	NA	PeJP	NA	NA
+PJ113544	SSSSNKWW 	C44H60N12O14	980.4352	NA	PeJP	NA	NA
+PJ113545	GGGGGGGTLYW 	C44H60N12O14	980.4353	NA	PeJP	NA	NA
+PJ113546	QEMMMRR 	C37H68N14O11S3	980.4355	NA	PeJP	NA	NA
+PJ113547	GSCEHHRR 	C37H60N18O12S	980.4359	NA	PeJP	NA	NA
+PJ113548	ATMMRWW 	C45H64N12O9S2	980.4361	NA	PeJP	NA	NA
+PJ113549	VEHHHHW 	C45H56N16O10	980.4366	NA	PeJP	NA	NA
+PJ113550	VVLEEMMM 	C41H72N8O13S3	980.4381	NA	PeJP	NA	NA
+PJ113551	GTTTEMRW 	C41H64N12O14S	980.4386	NA	PeJP	NA	NA
+PJ113552	TTTTWWW 	C49H60N10O12	980.4392	NA	PeJP	NA	NA
+PJ113553	GGALEYWW 	C49H60N10O12	980.4393	NA	PeJP	NA	NA
+PJ113554	VQMMMRW 	C42H68N12O9S3	980.4395	NA	PeJP	NA	NA
+PJ113555	SQMHHRW 	C42H60N16O10S	980.4399	NA	PeJP	NA	NA
+PJ113556	GGTMHHRW 	C42H60N16O10S	980.44	NA	PeJP	NA	NA
+PJ113557	AHHHFFW 	C50H56N14O8	980.4406	NA	PeJP	NA	NA
+PJ113558	SSSSSLEER 	C37H64N12O19	980.4411	NA	PeJP	NA	NA
+PJ113559	GTKEEMMR 	C38H68N12O14S2	980.442	NA	PeJP	NA	NA
+PJ113560	GSNNDRRY 	C38H60N16O15	980.4424	NA	PeJP	NA	NA
+PJ113561	GGGSNDRRY 	C38H60N16O15	980.4425	NA	PeJP	NA	NA
+PJ113562	TTKEMWW 	C46H64N10O12S	980.4426	NA	PeJP	NA	NA
+PJ113563	GPKMMMMR 	C39H72N12O9S4	980.4429	NA	PeJP	NA	NA
+PJ113564	GVFFYYW 	C54H60N8O10	980.4433	NA	PeJP	NA	NA
+PJ113565	GSNHHHHR 	C39H56N20O11	980.4438	NA	PeJP	NA	NA
+PJ113566	PPCHRWW 	C47H60N14O8S	980.444	NA	PeJP	NA	NA
+PJ113567	STTTKEEW 	C42H64N10O17	980.4451	NA	PeJP	NA	NA
+PJ113568	GGGPPPLEEE 	C42H64N10O17	980.4452	NA	PeJP	NA	NA
+PJ113569	GSSSSNMRR 	C35H64N16O15S	980.4458	NA	PeJP	NA	NA
+PJ113570	KKEEMMW 	C43H68N10O12S2	980.446	NA	PeJP	NA	NA
+PJ113571	GDERRYW 	C43H60N14O13	980.4465	NA	PeJP	NA	NA
+PJ113572	VQMFFFY 	C51H64N8O10S	980.4466	NA	PeJP	NA	NA
+PJ113573	GGLMFFFY 	C51H64N8O10S	980.4467	NA	PeJP	NA	NA
+PJ113574	STKKEEEM 	C39H68N10O17S	980.4485	NA	PeJP	NA	NA
+PJ113575	GTTTLYYY 	C47H64N8O15	980.4491	NA	PeJP	NA	NA
+PJ113576	LLEEEYW 	C47H64N8O15	980.4492	NA	PeJP	NA	NA
+PJ113577	SPKKEMMM 	C40H72N10O12S3	980.4494	NA	PeJP	NA	NA
+PJ113578	SSSCQKRW 	C40H64N14O13S	980.4498	NA	PeJP	NA	NA
+PJ113579	GGGGGVQMRY 	C40H64N14O13S	980.4499	NA	PeJP	NA	NA
+PJ113580	VKMMFYY 	C48H68N8O10S2	980.45	NA	PeJP	NA	NA
+PJ113581	AAERYWW 	C48H60N12O11	980.4505	NA	PeJP	NA	NA
+PJ113582	AMMMRRW 	C41H68N14O8S3	980.4507	NA	PeJP	NA	NA
+PJ113583	SCHHRRW 	C41H60N18O9S	980.4512	NA	PeJP	NA	NA
+PJ113584	SSSSSNKER 	C36H64N14O18	980.4523	NA	PeJP	NA	NA
+PJ113585	SPLLEEMY 	C44H68N8O15S	980.4525	NA	PeJP	NA	NA
+PJ113586	GTTEMMRR 	C37H68N14O13S2	980.4532	NA	PeJP	NA	NA
+PJ113587	PPVLMMMY 	C45H72N8O10S3	980.4534	NA	PeJP	NA	NA
+PJ113588	SSSDHHRR 	C37H60N18O14	980.4537	NA	PeJP	NA	NA
+PJ113589	NQQKMFW 	C45H64N12O11S	980.4538	NA	PeJP	NA	NA
+PJ113590	TTTMRWW 	C45H64N12O11S	980.4539	NA	PeJP	NA	NA
+PJ113591	LQYWWW 	C53H60N10O9	980.4545	NA	PeJP	NA	NA
+PJ113592	NMMHHRR 	C38H64N18O9S2	980.4546	NA	PeJP	NA	NA
+PJ113593	SSSSPPTRY 	C41H64N12O16	980.4563	NA	PeJP	NA	NA
+MJ099078	Pheganomycin DGPT 	C41H64N12O16	980.456324	NA	MeJP	NA	NA
+PJ113594	STTTTERW 	C41H64N12O16	980.4564	NA	PeJP	NA	NA
+PJ113595	TKEMMRW 	C42H68N12O11S2	980.4572	NA	PeJP	NA	NA
+PJ113596	GGGGPCKKMF 	C42H68N12O11S2	980.4573	NA	PeJP	NA	NA
+PJ113597	PDDHRRW 	C42H60N16O12	980.4577	NA	PeJP	NA	NA
+PJ113598	APKMYWW 	C50H64N10O9S	980.4579	NA	PeJP	NA	NA
+PJ113599	STTKEEMR 	C38H68N12O16S	980.4597	NA	PeJP	NA	NA
+PJ113600	SSTTTLWW 	C46H64N10O14	980.4604	NA	PeJP	NA	NA
+PJ113601	GVKEMMMR 	C39H72N12O11S3	980.4606	NA	PeJP	NA	NA
+PJ113602	NNQMRRY 	C39H64N16O12S	980.4611	NA	PeJP	NA	NA
+PJ113603	SLKMMWW 	C47H68N10O9S2	980.4612	NA	PeJP	NA	NA
+PJ113604	AAPKMMFW 	C47H68N10O9S2	980.4613	NA	PeJP	NA	NA
+PJ113605	DRRYWW 	C47H60N14O10	980.4617	NA	PeJP	NA	NA
+PJ113606	SSSSSSQRR 	C35H64N16O17	980.4636	NA	PeJP	NA	NA
+PJ113607	STTLDKMW 	C43H68N10O14S	980.4637	NA	PeJP	NA	NA
+PJ113608	SSTLKEMW 	C43H68N10O14S	980.4638	NA	PeJP	NA	NA
+PJ113609	PTKFYYY 	C51H64N8O12	980.4644	NA	PeJP	NA	NA
+PJ113610	GGSSCKMRR 	C36H68N16O12S2	980.4645	NA	PeJP	NA	NA
+PJ113611	AALKMMMW 	C44H72N10O9S3	980.4646	NA	PeJP	NA	NA
+PJ113612	GNNNNHRR 	C36H60N20O13	980.4649	NA	PeJP	NA	NA
+PJ113613	GGGGGGGGGHRR 	C36H60N20O13	980.465	NA	PeJP	NA	NA
+PJ113614	PTCRRYW 	C44H64N14O10S	980.4651	NA	PeJP	NA	NA
+PJ113615	TFRWWW 	C52H60N12O8	980.4657	NA	PeJP	NA	NA
+PJ113616	GPLHWWW 	C52H60N12O8	980.4658	NA	PeJP	NA	NA
+PJ113617	ATTTTTKEE 	C39H68N10O19	980.4662	NA	PeJP	NA	NA
+PJ113618	SSSTTLKEE 	C39H68N10O19	980.4663	NA	PeJP	NA	NA
+PJ113619	SVKKEEMM 	C40H72N10O14S2	980.4671	NA	PeJP	NA	NA
+PJ113620	GSSSSSKRW 	C40H64N14O15	980.4676	NA	PeJP	NA	NA
+PJ113621	TLKMYYY 	C48H68N8O12S	980.4678	NA	PeJP	NA	NA
+PJ113622	PCLKKMMM 	C41H76N10O9S4	980.468	NA	PeJP	NA	NA
+PJ113623	TTMMRRW 	C41H68N14O10S2	980.4685	NA	PeJP	NA	NA
+PJ113624	NDHHFRR 	C41H60N18O11	980.4689	NA	PeJP	NA	NA
+PJ113625	GGDHHFRR 	C41H60N18O11	980.469	NA	PeJP	NA	NA
+PJ113626	GVMFRWW 	C49H64N12O8S	980.4691	NA	PeJP	NA	NA
+PJ113627	SVLLEEEY 	C44H68N8O17	980.4703	NA	PeJP	NA	NA
+PJ113628	STTTEMRR 	C37H68N14O15S	980.471	NA	PeJP	NA	NA
+PJ113629	PVVLEMMY 	C45H72N8O12S2	980.4712	NA	PeJP	NA	NA
+PJ113630	AKEERYW 	C45H64N12O13	980.4716	NA	PeJP	NA	NA
+PJ113631	GGGGGGGGVLFF 	C45H64N12O13	980.4717	NA	PeJP	NA	NA
+PJ113632	KEMMMRR 	C38H72N14O10S3	980.4718	NA	PeJP	NA	NA
+PJ113633	GGACKKMMR 	C38H72N14O10S3	980.4719	NA	PeJP	NA	NA
+PJ113634	CNNRRRY 	C38H64N18O11S	980.4723	NA	PeJP	NA	NA
+PJ113635	CCKKKWW 	C46H68N12O8S2	980.4725	NA	PeJP	NA	NA
+PJ113636	AQHHFRW 	C46H60N16O9	980.473	NA	PeJP	NA	NA
+PJ113637	TLLLEMMM 	C42H76N8O12S3	980.4745	NA	PeJP	NA	NA
+PJ113638	SSTTLMRW 	C42H68N12O13S	980.475	NA	PeJP	NA	NA
+PJ113639	GLKEYWW 	C50H64N10O11	980.4756	NA	PeJP	NA	NA
+PJ113640	APPPVEWW 	C50H64N10O11	980.4757	NA	PeJP	NA	NA
+PJ113641	VKMMMRW 	C43H72N12O8S3	980.4759	NA	PeJP	NA	NA
+PJ113642	SKMHHRW 	C43H64N16O9S	980.4763	NA	PeJP	NA	NA
+PJ113643	SSSTTTLER 	C38H68N12O18	980.4775	NA	PeJP	NA	NA
+PJ113644	SSLKEMMR 	C39H72N12O13S2	980.4784	NA	PeJP	NA	NA
+PJ113645	SDERRRY 	C39H64N16O14	980.4788	NA	PeJP	NA	NA
+PJ113646	GGGGSPKEHR 	C39H64N16O14	980.4789	NA	PeJP	NA	NA
+PJ113647	PKKEMYW 	C47H68N10O11S	980.479	NA	PeJP	NA	NA
+PJ113648	PCMRRRY 	C40H68N16O9S2	980.4797	NA	PeJP	NA	NA
+3150	erythropoietin receptor agonist peptide	DREGCRRGWVGQCKAWFN	980.4804	MH2+	Inhouse_peptide	NA	peptide
+PJ113649	MFRRWW 	C48H64N14O7S	980.4804	NA	PeJP	NA	NA
+PJ113650	SSSSTTLLW 	C43H68N10O16	980.4815	NA	PeJP	NA	NA
+PJ113651	GSSSTCKRR 	C36H68N16O14S	980.4822	NA	PeJP	NA	NA
+PJ113652	ATTLKMMW 	C44H72N10O11S2	980.4824	NA	PeJP	NA	NA
+PJ113653	ATERRYW 	C44H64N14O12	980.4828	NA	PeJP	NA	NA
+MJ099079	1-Dodecanol; O-[2,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C46H76O22	980.482824	NA	MeJP	NA	NA
+MJ099080	1-Dodecanol; O-[3,4-Di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-2,4-di-O-acetyl-?-L-rhamnopyranosyl-(1?3)-4-O-acetyl-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranoside] 	C46H76O22	980.482824	NA	MeJP	NA	NA
+MJ099081	Mezzettiaside 7; 2'''-Ac 	C46H76O22	980.482824	NA	MeJP	NA	NA
+MJ099082	Mezzettiaside 7; 3'''-Ac 	C46H76O22	980.482824	NA	MeJP	NA	NA
+PJ113654	SVDRRYW 	C44H64N14O12	980.4829	NA	PeJP	NA	NA
+PJ113655	VKMFFFY 	C52H68N8O9S	980.483	NA	PeJP	NA	NA
+PJ113656	TMMMRRR 	C37H72N16O9S3	980.4831	NA	PeJP	NA	NA
+PJ113657	SSSSLLKEM 	C40H72N10O16S	980.4849	NA	PeJP	NA	NA
+PJ113658	SPPLLEYY 	C48H68N8O14	980.4855	NA	PeJP	NA	NA
+PJ113659	ALKKEMMM 	C41H76N10O11S3	980.4858	NA	PeJP	NA	NA
+PJ113660	SSSCKKRW 	C41H68N14O12S	980.4862	NA	PeJP	NA	NA
+PJ113661	GGGGGPPPVMR 	C41H68N14O12S	980.4863	NA	PeJP	NA	NA
+PJ113662	PPVLMMFF 	C49H72N8O9S2	980.4864	NA	PeJP	NA	NA
+PJ113663	GTLRYWW 	C49H64N12O10	980.4869	NA	PeJP	NA	NA
+PJ113664	SSSSSDKKR 	C37H68N14O17	980.4887	NA	PeJP	NA	NA
+PJ113665	ALLLEEMY 	C45H72N8O14S	980.4889	NA	PeJP	NA	NA
+PJ113666	SSTLMMRR 	C38H72N14O12S2	980.4896	NA	PeJP	NA	NA
+PJ113667	PVLLMMMF 	C46H76N8O9S3	980.4898	NA	PeJP	NA	NA
+PJ113668	SSTTHHRR 	C38H64N18O13	980.4901	NA	PeJP	NA	NA
+PJ113669	PTKMRYW 	C46H68N12O10S	980.4902	NA	PeJP	NA	NA
+PJ113670	GGVLMRYW 	C46H68N12O10S	980.4903	NA	PeJP	NA	NA
+PJ113671	LKYWWW 	C54H64N10O8	980.4909	NA	PeJP	NA	NA
+PJ113672	GSSSTTKKW 	C42H68N12O15	980.4927	NA	PeJP	NA	NA
+PJ113673	GGSSLLERY 	C42H68N12O15	980.4928	NA	PeJP	NA	NA
+PJ113674	VLLLMMMM 	C43H80N8O9S4	980.4932	NA	PeJP	NA	NA
+PJ113675	GTCKKKMW 	C43H72N12O10S2	980.4936	NA	PeJP	NA	NA
+PJ113676	PTEHRRW 	C43H64N16O11	980.4941	NA	PeJP	NA	NA
+PJ113677	ALKMFWW 	C51H68N10O8S	980.4943	NA	PeJP	NA	NA
+PJ113678	SSSSTLLMR 	C39H72N12O15S	980.4961	NA	PeJP	NA	NA
+PJ113679	VKKEEYW 	C47H68N10O13	980.4968	NA	PeJP	NA	NA
+PJ113680	ATLKMMMR 	C40H76N12O10S3	980.497	NA	PeJP	NA	NA
+PJ113681	AEMRRRY 	C40H68N16O11S	980.4975	NA	PeJP	NA	NA
+PJ113682	SPLHRWW 	C48H64N14O9	980.4981	NA	PeJP	NA	NA
+PJ113683	SSSSSSKRR 	C36H68N16O16	980.4999	NA	PeJP	NA	NA
+PJ113684	TTTTLKMW 	C44H72N10O13S	980.5001	NA	PeJP	NA	NA
+PJ113685	GGALLKEMY 	C44H72N10O13S	980.5002	NA	PeJP	NA	NA
+PJ113686	VVKFYYY 	C52H68N8O11	980.5008	NA	PeJP	NA	NA
+PJ113687	NNEHRRR 	C37H64N20O12	980.5013	NA	PeJP	NA	NA
+PJ113688	GLMRRYW 	C45H68N14O9S	980.5015	NA	PeJP	NA	NA
+PJ113689	STTTTTLKE 	C40H72N10O18	980.5026	NA	PeJP	NA	NA
+PJ113690	TTLKKEMM 	C41H76N10O13S2	980.5035	NA	PeJP	NA	NA
+PJ113691	TKEERRY 	C41H68N14O14	980.504	NA	PeJP	NA	NA
+PJ113692	PPVVLMYY 	C49H72N8O11S	980.5042	NA	PeJP	NA	NA
+PJ113693	PKMMRRY 	C42H72N14O9S2	980.5049	NA	PeJP	NA	NA
+PJ113694	AQQHRRW 	C42H64N18O10	980.5053	NA	PeJP	NA	NA
+PJ113695	TTLLLEEY 	C45H72N8O16	980.5067	NA	PeJP	NA	NA
+PJ113696	ASSSSKKMR 	C38H72N14O14S	980.5073	NA	PeJP	NA	NA
+PJ113697	GSSSTKKMR 	C38H72N14O14S	980.5074	NA	PeJP	NA	NA
+PJ113698	PTLLLMMY 	C46H76N8O11S2	980.5075	NA	PeJP	NA	NA
+PJ113699	SLKERYW 	C46H68N12O12	980.508	NA	PeJP	NA	NA
+PJ113700	GCKKKMMR 	C39H76N14O9S3	980.5082	NA	PeJP	NA	NA
+PJ113701	PEMHRRR 	C39H68N18O10S	980.5087	NA	PeJP	NA	NA
+PJ113702	AKHHFRW 	C47H64N16O8	980.5094	NA	PeJP	NA	NA
+PJ113703	SSSKKKMW 	C43H72N12O12S	980.5114	NA	PeJP	NA	NA
+PJ113704	SVLKYWW 	C51H68N10O10	980.512	NA	PeJP	NA	NA
+PJ113705	PVMHRRW 	C44H68N16O8S	980.5127	NA	PeJP	NA	NA
+PJ113706	STTTTTTLR 	C39H72N12O17	980.5139	NA	PeJP	NA	NA
+PJ113707	TTTLKMMR 	C40H76N12O12S2	980.5147	NA	PeJP	NA	NA
+PJ113708	GGTTKKKMM 	C40H76N12O12S2	980.5148	NA	PeJP	NA	NA
+PJ113709	TTERRRY 	C40H68N16O13	980.5152	NA	PeJP	NA	NA
+PJ113710	GGGGGGAAPPKR 	C40H68N16O13	980.5153	NA	PeJP	NA	NA
+PJ113711	LLQKMYW 	C48H72N10O10S	980.5154	NA	PeJP	NA	NA
+PJ113712	CLMFRRR 	C41H72N16O8S2	980.5161	NA	PeJP	NA	NA
+PJ113713	GNHRRRW 	C41H64N20O9	980.5166	NA	PeJP	NA	NA
+PJ113714	ATLKKEEY 	C44H72N10O15	980.5179	NA	PeJP	NA	NA
+PJ113715	APLKKMMY 	C45H76N10O10S2	980.5188	NA	PeJP	NA	NA
+PJ113716	STLRRYW 	C45H68N14O11	980.5192	NA	PeJP	NA	NA
+PJ113717	GALLEHRW 	C45H68N14O11	980.5193	NA	PeJP	NA	NA
+PJ113718	SSTTTLLKM 	C41H76N10O15S	980.5213	NA	PeJP	NA	NA
+PJ113719	APLLLEYY 	C49H72N8O13	980.5219	NA	PeJP	NA	NA
+PJ113720	SLLKKMMM 	C42H80N10O10S3	980.5221	NA	PeJP	NA	NA
+PJ113721	VKEMRRY 	C42H72N14O11S	980.5226	NA	PeJP	NA	NA
+PJ113722	VLLQHWW 	C50H68N12O9	980.5233	NA	PeJP	NA	NA
+PJ113723	SSSSTTKKR 	C38H72N14O16	980.5251	NA	PeJP	NA	NA
+PJ113724	SLLLLEMY 	C46H76N8O13S	980.5253	NA	PeJP	NA	NA
+PJ113725	STCKKKMR 	C39H76N14O11S2	980.526	NA	PeJP	NA	NA
+PJ113726	QQKEHRR 	C39H68N18O12	980.5264	NA	PeJP	NA	NA
+PJ113727	VEEHRRR 	C39H68N18O12	980.5265	NA	PeJP	NA	NA
+PJ113728	VVKMRYW 	C47H72N12O9S	980.5266	NA	PeJP	NA	NA
+PJ113729	ATTLKERY 	C43H72N12O14	980.5291	NA	PeJP	NA	NA
+PJ113730	GAPPLLEER 	C43H72N12O14	980.5292	NA	PeJP	NA	NA
+PJ113731	GVLKMMFR 	C44H76N12O9S2	980.53	NA	PeJP	NA	NA
+PJ113732	VVEHRRW 	C44H68N16O10	980.5305	NA	PeJP	NA	NA
+PJ113733	GSTTTKKKM 	C40H76N12O14S	980.5325	NA	PeJP	NA	NA
+MJ099083	MA Toxin II 	C48H72N10O12	980.533117	NA	MeJP	NA	NA
+MJ099084	[D-Asp3,ADMAdda5,Dhb7]Microcystins; [D-Asp3,ADMAdda5,Dhb7]Microcystin LR, 2''Z-Isomer, 9'-O-de-Ac, O9'-Me 	C48H72N10O12	980.533117	NA	MeJP	NA	NA
+PJ113734	GTTLLKYW 	C48H72N10O12	980.5332	NA	PeJP	NA	NA
+PJ113735	GKKKKMMM 	C41H80N12O9S3	980.5334	NA	PeJP	NA	NA
+PJ113736	SLMRRRY 	C41H72N16O10S	980.5338	NA	PeJP	NA	NA
+PJ113737	GACKKRRY 	C41H72N16O10S	980.5339	NA	PeJP	NA	NA
+MJ099085	Jujubogenin; 3-O-[?-L-Rhamnopyranosyl-(1?4)-?-L-arabinopyranoside], 20-O-(2,3-di-O-acetyl-?-L-rhamnopyranoside) 	C51H80O18	980.534465	NA	MeJP	NA	NA
+C08991	Ziziphin	C51H80O18	980.5345	NA	KEGG	NA	NA
+PJ113738	ALLHRWW 	C49H68N14O8	980.5345	NA	PeJP	NA	NA
+PJ113739	GLLKKEMY 	C45H76N10O12S	980.5365	NA	PeJP	NA	NA
+PJ113740	PPVVLFFY 	C53H72N8O10	980.5372	NA	PeJP	NA	NA
+PJ113741	NDKHRRR 	C38H68N20O11	980.5377	NA	PeJP	NA	NA
+PJ113742	PKMFFRR 	C46H72N14O8S	980.5379	NA	PeJP	NA	NA
+PJ113743	SSSLLRRY 	C42H72N14O13	980.5404	NA	PeJP	NA	NA
+PJ113744	PVVLLMFY 	C50H76N8O10S	980.5406	NA	PeJP	NA	NA
+PJ113745	LKMMFRR 	C43H76N14O8S2	980.5412	NA	PeJP	NA	NA
+PJ113746	PPNRRRW 	C43H68N18O9	980.5417	NA	PeJP	NA	NA
+PJ113747	VVLLLMMY 	C47H80N8O10S2	980.5439	NA	PeJP	NA	NA
+PJ113748	TQKKKYW 	C47H72N12O11	980.5444	NA	PeJP	NA	NA
+PJ113749	GPCKKHRR 	C40H72N18O9S	980.5451	NA	PeJP	NA	NA
+PJ113750	GTLLKMRY 	C44H76N12O11S	980.5478	NA	PeJP	NA	NA
+PJ113751	GPPLLLWW 	C52H72N10O9	980.5484	NA	PeJP	NA	NA
+PJ113752	SNHRRRR 	C37H68N22O10	980.5489	NA	PeJP	NA	NA
+PJ113753	SSTTTTKKK 	C40H76N12O16	980.5502	NA	PeJP	NA	NA
+PJ113754	STKKKKMM 	C41H80N12O11S2	980.5511	NA	PeJP	NA	NA
+PJ113755	GSSKKRRY 	C41H72N16O12	980.5516	NA	PeJP	NA	NA
+PJ113756	LLKKMYW 	C49H76N10O9S	980.5518	NA	PeJP	NA	NA
+PJ113757	STLLKKEY 	C45H76N10O14	980.5543	NA	PeJP	NA	NA
+PJ113758	ALLKKMMF 	C46H80N10O9S2	980.5552	NA	PeJP	NA	NA
+MJ099086	Peptide PH-8P 	C46H72N14O10	980.555584	NA	MeJP	NA	NA
+MJ099087	Dammarane-3,12,20,24,25-pentol, 3-O-[?-D-Glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C48H84O20	980.555595	NA	MeJP	NA	NA
+PJ113759	LLKEHRW 	C46H72N14O10	980.5556	NA	PeJP	NA	NA
+PJ113760	SPLLLLYY 	C50H76N8O12	980.5583	NA	PeJP	NA	NA
+PJ113761	QKKKMRY 	C43H76N14O10S	980.559	NA	PeJP	NA	NA
+PJ113762	VLLKHWW 	C51H72N12O8	980.5597	NA	PeJP	NA	NA
+PJ113763	APPTQRRR 	C40H72N18O11	980.5628	NA	PeJP	NA	NA
+PJ113764	GPPDKRRR 	C40H72N18O11	980.5629	NA	PeJP	NA	NA
+PJ113765	STTLLKRY 	C44H76N12O13	980.5655	NA	PeJP	NA	NA
+PJ113766	GGGGGGAPLLLL 	C44H76N12O13	980.5656	NA	PeJP	NA	NA
+PJ113767	TLLHRRW 	C45H72N16O9	980.5669	NA	PeJP	NA	NA
+PJ113768	GSPPVLLLW 	C49H76N10O11	980.5695	NA	PeJP	NA	NA
+PJ113769	PPVLLKEW 	C49H76N10O11	980.5696	NA	PeJP	NA	NA
+PJ113770	CKKKRRY 	C42H76N16O9S	980.5702	NA	PeJP	NA	NA
+PJ113771	SVLLKKMY 	C46H80N10O11S	980.5729	NA	PeJP	NA	NA
+PJ113772	PVVLLFFF 	C54H76N8O9	980.5736	NA	PeJP	NA	NA
+PJ113773	GSPPRRRR 	C39H72N20O10	980.5741	NA	PeJP	NA	NA
+PJ113774	GTTKKKRY 	C43H76N14O12	980.5768	NA	PeJP	NA	NA
+PJ113775	VVLLLMFF 	C51H80N8O9S	980.5769	NA	PeJP	NA	NA
+PJ113776	AKKHRRW 	C44H72N18O8	980.5781	NA	PeJP	NA	NA
+PJ113777	TKKKKYW 	C48H76N12O10	980.5808	NA	PeJP	NA	NA
+PJ113778	LLMHRRR 	C41H76N18O8S	980.5815	NA	PeJP	NA	NA
+PJ113779	GVKKKKMY 	C45H80N12O10S	980.5842	NA	PeJP	NA	NA
+PJ113780	LLKKFFW 	C53H76N10O8	980.5848	NA	PeJP	NA	NA
+PJ113781	SSLLLHRR 	C42H76N16O11	980.588	NA	PeJP	NA	NA
+PJ113782	APPTLLLKE 	C46H80N10O13	980.5907	NA	PeJP	NA	NA
+PJ113783	GPPLKKRW 	C47H76N14O9	980.592	NA	PeJP	NA	NA
+PJ113784	ALLLLLYY 	C51H80N8O11	980.5947	NA	PeJP	NA	NA
+PJ113785	KKKKMRY 	C44H80N14O9S	980.5954	NA	PeJP	NA	NA
+PJ113786	APPTKRRR 	C41H76N18O10	980.5992	NA	PeJP	NA	NA
+PJ113787	SSLKKKKY 	C45H80N12O12	980.6019	NA	PeJP	NA	NA
+PJ113788	VKKKHRW 	C46H76N16O8	980.6032	NA	PeJP	NA	NA
+PJ113789	PVLLLLQW 	C50H80N10O10	980.6059	NA	PeJP	NA	NA
+PJ113790	GPPLLLLKM 	C47H84N10O10S	980.6093	NA	PeJP	NA	NA
+PJ113791	PLQRRRR 	C40H76N20O9	980.6105	NA	PeJP	NA	NA
+PJ113792	TTLLLKHR 	C44H80N14O11	980.6131	NA	PeJP	NA	NA
+PJ113793	PVVLLERR 	C44H80N14O11	980.6132	NA	PeJP	NA	NA
+PJ113794	APLLLLRW 	C49H80N12O9	980.6172	NA	PeJP	NA	NA
+PJ113795	VLLLKKMH 	C46H84N12O9S	980.6205	NA	PeJP	NA	NA
+PJ113796	SPPLKKRR 	C43H80N16O10	980.6244	NA	PeJP	NA	NA
+PJ113797	GPVLLLLKE 	C47H84N10O12	980.6271	NA	PeJP	NA	NA
+PJ113798	KKKKFFR 	C48H80N14O8	980.6284	NA	PeJP	NA	NA
+MJ099088	Galantin I 	C41H84N14O13	980.634228	NA	MeJP	NA	NA
+PJ113799	GPVLKRRR 	C42H80N18O9	980.6356	NA	PeJP	NA	NA
+PJ113800	PLLLLKER 	C46H84N12O11	980.6383	NA	PeJP	NA	NA
+PJ113801	PVLLLLKW 	C51H84N10O9	980.6423	NA	PeJP	NA	NA
+PJ113802	PLKRRRR 	C41H80N20O8	980.6469	NA	PeJP	NA	NA
+PJ113803	PTLLLLRR 	C45H84N14O10	980.6495	NA	PeJP	NA	NA
+PJ113804	APLLKKRR 	C44H84N16O9	980.6608	NA	PeJP	NA	NA
+PJ113805	APTILLLLK 	C48H88N10O11	980.6634	NA	PeJP	NA	NA
+PJ113806	APTLLLLLK 	C48H88N10O11	980.6635	NA	PeJP	NA	NA
+PJ113807	LLLLLLQR 	C47H88N12O10	980.6747	NA	PeJP	NA	NA
+PJ113808	VVLLLLRR 	C46H88N14O9	980.6859	NA	PeJP	NA	NA
+PJ113809	GVLLLLLLK 	C49H92N10O10	980.6998	NA	PeJP	NA	NA
+PJ113810	LLLLLLKR 	C48H92N12O9	980.7111	NA	PeJP	NA	NA
+HMDB10544	TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C65H104O6	980.783264	NA	HMDB2010	NA	NA
+PJ113811	CCCCCCDDD 	C30H47N9O16S6	981.1466	NA	PeJP	NA	NA
+PJ113812	CCCCCCCNQ 	C30H51N11O12S7	981.1764	NA	PeJP	NA	NA
+PJ113813	SCCCCCDDM 	C31H51N9O15S6	981.1829	NA	PeJP	NA	NA
+PJ113814	GSSCCCCCCN 	C30H51N11O14S6	981.1942	NA	PeJP	NA	NA
+PJ113815	GCCCCCEMM 	C32H55N9O12S7	981.2016	NA	PeJP	NA	NA
+PJ113816	CCCCCCCNK 	C31H55N11O11S7	981.2128	NA	PeJP	NA	NA
+PJ113817	GCCCCCDEF 	C35H51N9O14S5	981.216	NA	PeJP	NA	NA
+PJ113818	CCCCCMMW 	C36H55N9O9S7	981.2168	NA	PeJP	NA	NA
+PJ113819	SSCCCCDMM 	C32H55N9O14S6	981.2193	NA	PeJP	NA	NA
+PJ113820	ACCCCCCHH 	C33H51N13O10S6	981.2207	NA	PeJP	NA	NA
+PJ113821	GCCCDDDDH 	C33H47N11O18S3	981.2263	NA	PeJP	NA	NA
+PJ113822	GCCCCCNNY 	C34H51N11O13S5	981.2272	NA	PeJP	NA	NA
+PJ113823	CCCCCDFW 	C39H51N9O11S5	981.2312	NA	PeJP	NA	NA
+PJ113824	GSCCCCDEY 	C35H51N9O16S4	981.2337	NA	PeJP	NA	NA
+PJ113825	GPCCCCCMY 	C36H55N9O11S6	981.2346	NA	PeJP	NA	NA
+PJ113826	GTCCCCMMM 	C33H59N9O11S7	981.2379	NA	PeJP	NA	NA
+PJ113827	SSCCCCCHH 	C33H51N13O12S5	981.2384	NA	PeJP	NA	NA
+PJ113828	SPCCCCDDH 	C34H51N11O15S4	981.2449	NA	PeJP	NA	NA
+PJ113829	SCCCCDYW 	C39H51N9O13S4	981.249	NA	PeJP	NA	NA
+PJ113830	SSSCCCDDY 	C35H51N9O18S3	981.2515	NA	PeJP	NA	NA
+PJ113831	CCCNDMMY 	C36H55N9O13S5	981.2523	NA	PeJP	NA	NA
+PJ113832	SSSCCCMMM 	C33H59N9O13S6	981.2557	NA	PeJP	NA	NA
+PJ113833	GCCCCNNEH 	C33H51N13O14S4	981.2562	NA	PeJP	NA	NA
+PJ113834	GCNNDDDDD 	C33H47N11O22S	981.2618	NA	PeJP	NA	NA
+PJ113835	GSCCDDDMH 	C34H51N11O17S3	981.2627	NA	PeJP	NA	NA
+PJ113836	CCCCCERY 	C35H55N11O12S5	981.2636	NA	PeJP	NA	NA
+PJ113837	CCCNDDFY 	C39H51N9O15S3	981.2667	NA	PeJP	NA	NA
+PJ113838	ACCCCMYW 	C40H55N9O10S5	981.2676	NA	PeJP	NA	NA
+PJ113839	GSDDDDDDE 	C34H47N9O25	981.2684	NA	PeJP	NA	NA
+PJ113840	GPCDDDDDM 	C35H51N9O20S2	981.2692	NA	PeJP	NA	NA
+PJ113841	GSSCCCEMY 	C36H55N9O15S4	981.2701	NA	PeJP	NA	NA
+PJ113842	CCCNMMMF 	C37H59N9O10S6	981.271	NA	PeJP	NA	NA
+PJ113843	CCCCNNHW 	C37H51N13O11S4	981.2714	NA	PeJP	NA	NA
+PJ113844	SSCCCNNDH 	C33H51N13O16S3	981.2739	NA	PeJP	NA	NA
+PJ113845	SCCCDEHW 	C38H51N11O14S3	981.278	NA	PeJP	NA	NA
+PJ113846	PCCCCMHW 	C39H55N11O9S5	981.2788	NA	PeJP	NA	NA
+PJ113847	SSSCCDDEH 	C34H51N11O19S2	981.2805	NA	PeJP	NA	NA
+PJ113848	CCNDEMMH 	C35H55N11O14S4	981.2813	NA	PeJP	NA	NA
+PJ113849	SDDDDDDW 	C38H47N9O22	981.2836	NA	PeJP	NA	NA
+PJ113850	PCCDDDEW 	C39H51N9O17S2	981.2845	NA	PeJP	NA	NA
+PJ113851	SSCCCMYW 	C40H55N9O12S4	981.2853	NA	PeJP	NA	NA
+PJ113852	GGCCCDMFF 	C40H55N9O12S4	981.2854	NA	PeJP	NA	NA
+PJ113853	NDDDDEEM 	C35H51N9O22S	981.287	NA	PeJP	NA	NA
+PJ113854	SSSSCCDMY 	C36H55N9O17S3	981.2878	NA	PeJP	NA	NA
+PJ113855	SPPCCDDDM 	C36H55N9O17S3	981.2879	NA	PeJP	NA	NA
+PJ113856	SCCNMMMY 	C37H59N9O12S5	981.2887	NA	PeJP	NA	NA
+PJ113857	GCCNNNNDE 	C33H51N13O18S2	981.2917	NA	PeJP	NA	NA
+PJ113858	ASCCCNNMH 	C34H55N13O13S4	981.2925	NA	PeJP	NA	NA
+PJ113859	CCCDDMHR 	C34H55N13O13S4	981.2926	NA	PeJP	NA	NA
+PJ113860	CCNDDEHF 	C38H51N11O16S2	981.2957	NA	PeJP	NA	NA
+PJ113861	GCCDMMHW 	C39H55N11O11S4	981.2966	NA	PeJP	NA	NA
+PJ113862	CDDDDDER 	C34H51N11O21S	981.2982	NA	PeJP	NA	NA
+PJ113863	GSSCDDMMH 	C35H55N11O16S3	981.2991	NA	PeJP	NA	NA
+PJ113864	TCCCCMRY 	C36H59N11O11S5	981.2999	NA	PeJP	NA	NA
+PJ113865	GPTCCCMMH 	C36H59N11O11S5	981.3	NA	PeJP	NA	NA
+PJ113866	CCCNEHHH 	C36H51N15O12S3	981.3004	NA	PeJP	NA	NA
+PJ113867	ACCCCFFW 	C44H55N9O9S4	981.3006	NA	PeJP	NA	NA
+PJ113868	GDDDDEMW 	C39H51N9O19S	981.3022	NA	PeJP	NA	NA
+PJ113869	GCCNEMYY 	C40H55N9O14S3	981.3031	NA	PeJP	NA	NA
+PJ113870	GSCCCCNHR 	C33H55N15O12S4	981.3038	NA	PeJP	NA	NA
+PJ113871	GSSDDDEEE 	C35H51N9O24	981.3047	NA	PeJP	NA	NA
+PJ113872	GSPDDDDMM 	C36H55N9O19S2	981.3056	NA	PeJP	NA	NA
+PJ113873	NDDDDDHH 	C36H47N13O20	981.3061	NA	PeJP	NA	NA
+PJ113874	GSSTCCMMY 	C37H59N9O14S4	981.3065	NA	PeJP	NA	NA
+PJ113875	CCNNNNDW 	C37H51N13O15S2	981.3069	NA	PeJP	NA	NA
+PJ113876	GGGGCCNNDW 	C37H51N13O15S2	981.307	NA	PeJP	NA	NA
+PJ113877	SSCNNNNDD 	C33H51N13O20S	981.3094	NA	PeJP	NA	NA
+PJ113878	GGGGSSCNNDD 	C33H51N13O20S	981.3095	NA	PeJP	NA	NA
+PJ113879	GPCCCNDDR 	C34H55N13O15S3	981.3103	NA	PeJP	NA	NA
+PJ113880	GCCDDHFW 	C42H51N11O13S2	981.311	NA	PeJP	NA	NA
+PJ113881	SCNNDDEW 	C38H51N11O18S	981.3135	NA	PeJP	NA	NA
+PJ113882	SSCCEMHW 	C39H55N11O13S3	981.3143	NA	PeJP	NA	NA
+PJ113883	GGGGPCCDMW 	C39H55N11O13S3	981.3144	NA	PeJP	NA	NA
+PJ113884	GCCCHHHW 	C40H51N15O9S3	981.3157	NA	PeJP	NA	NA
+PJ113885	SSSNNDDDE 	C34H51N11O23	981.316	NA	PeJP	NA	NA
+PJ113886	SSSSCDEMH 	C35H55N11O18S2	981.3168	NA	PeJP	NA	NA
+PJ113887	GGGGNDDEMM 	C35H55N11O18S2	981.3169	NA	PeJP	NA	NA
+PJ113888	DDDDMWW 	C43H51N9O16S	981.3175	NA	PeJP	NA	NA
+PJ113889	SCNEMMMH 	C36H59N11O13S4	981.3177	NA	PeJP	NA	NA
+PJ113890	GSSCCDHHH 	C36H51N15O14S2	981.3182	NA	PeJP	NA	NA
+PJ113891	CCNMYYW 	C44H55N9O11S3	981.3183	NA	PeJP	NA	NA
+PJ113892	GGCCMYYW 	C44H55N9O11S3	981.3184	NA	PeJP	NA	NA
+PJ113893	SSDDDEEW 	C39H51N9O21	981.32	NA	PeJP	NA	NA
+PJ113894	SSCNDMYY 	C40H55N9O16S2	981.3208	NA	PeJP	NA	NA
+PJ113895	SPCDDEMW 	C40H55N9O16S2	981.3209	NA	PeJP	NA	NA
+PJ113896	PPCCDMMW 	C41H59N9O11S4	981.3217	NA	PeJP	NA	NA
+PJ113897	SNDEEEEM 	C36H55N9O21S	981.3234	NA	PeJP	NA	NA
+PJ113898	DDDEYYY 	C44H51N7O19	981.324	NA	PeJP	NA	NA
+PJ113899	SSSSSCMMY 	C37H59N9O16S3	981.3242	NA	PeJP	NA	NA
+PJ113900	GSPCDDDHH 	C37H51N13O17S	981.3247	NA	PeJP	NA	NA
+PJ113901	TCCCKMMY 	C38H63N9O11S5	981.3251	NA	PeJP	NA	NA
+PJ113902	CCNNNMHF 	C38H55N13O12S3	981.3256	NA	PeJP	NA	NA
+PJ113903	CNNDDDMR 	C34H55N13O17S2	981.3281	NA	PeJP	NA	NA
+PJ113904	DEMMMYY 	C42H59N7O14S3	981.3282	NA	PeJP	NA	NA
+PJ113905	GSCNDDWW 	C42H51N11O15S	981.3287	NA	PeJP	NA	NA
+PJ113906	SCCDMMHR 	C35H59N13O12S4	981.3289	NA	PeJP	NA	NA
+PJ113907	GGSPPCCCCR 	C35H59N13O12S4	981.329	NA	PeJP	NA	NA
+PJ113908	GPCCCQWW 	C43H55N11O10S3	981.3296	NA	PeJP	NA	NA
+PJ113909	GSSSNDDDW 	C38H51N11O20	981.3312	NA	PeJP	NA	NA
+PJ113910	GGGGGGDDDEF 	C38H51N11O20	981.3313	NA	PeJP	NA	NA
+PJ113911	GNNDDMMW 	C39H55N11O15S2	981.3321	NA	PeJP	NA	NA
+PJ113912	GSCMMMHW 	C40H59N11O10S4	981.333	NA	PeJP	NA	NA
+PJ113913	SDDDDEMR 	C35H55N11O20S	981.3346	NA	PeJP	NA	NA
+PJ113914	GPDDDDYW 	C43H51N9O18	981.3353	NA	PeJP	NA	NA
+PJ113915	PCDDDMMR 	C36H59N11O15S3	981.3355	NA	PeJP	NA	NA
+PJ113916	CNNNDEHH 	C36H51N15O16S	981.3359	NA	PeJP	NA	NA
+PJ113917	GGGGCNDEHH 	C36H51N15O16S	981.336	NA	PeJP	NA	NA
+PJ113918	GSTCCYYW 	C44H55N9O13S2	981.3361	NA	PeJP	NA	NA
+PJ113919	GNMMMMMH 	C37H63N11O10S5	981.3363	NA	PeJP	NA	NA
+PJ113920	SCCQMHHH 	C37H55N15O11S3	981.3368	NA	PeJP	NA	NA
+PJ113921	GSDEEEMW 	C40H55N9O18S	981.3386	NA	PeJP	NA	NA
+PJ113922	GSCCNNNDR 	C33H55N15O16S2	981.3393	NA	PeJP	NA	NA
+PJ113923	GPDDMMMW 	C41H59N9O13S3	981.3395	NA	PeJP	NA	NA
+PJ113924	PPCCCHHW 	C42H55N13O9S3	981.3408	NA	PeJP	NA	NA
+PJ113925	GSSSEEEEE 	C36H55N9O23	981.3411	NA	PeJP	NA	NA
+PJ113926	GQEEEEMM 	C37H59N9O18S2	981.342	NA	PeJP	NA	NA
+PJ113927	NNNNNDDY 	C37H51N13O19	981.3424	NA	PeJP	NA	NA
+PJ113928	GGNNNNDDY 	C37H51N13O19	981.3425	NA	PeJP	NA	NA
+PJ113929	DDEMFYY 	C45H55N7O16S	981.3426	NA	PeJP	NA	NA
+PJ113930	GSPPCEMMM 	C38H63N9O13S4	981.3429	NA	PeJP	NA	NA
+PJ113931	GCCNDERW 	C38H55N13O14S2	981.3433	NA	PeJP	NA	NA
+PJ113932	GGGGGGGGSCMW 	C38H55N13O14S2	981.3434	NA	PeJP	NA	NA
+PJ113933	GSSCNDDER 	C34H55N13O19S	981.3458	NA	PeJP	NA	NA
+PJ113934	GGGGGGGGSSSDM 	C34H55N13O19S	981.3459	NA	PeJP	NA	NA
+PJ113935	GNNDDDFW 	C42H51N11O17	981.3465	NA	PeJP	NA	NA
+PJ113936	GSPCCNDMR 	C35H59N13O14S3	981.3467	NA	PeJP	NA	NA
+PJ113937	EMMMMFY 	C43H63N7O11S4	981.3469	NA	PeJP	NA	NA
+PJ113938	CNNEMWW 	C43H55N11O12S2	981.3473	NA	PeJP	NA	NA
+PJ113939	GGCNEMWW 	C43H55N11O12S2	981.3474	NA	PeJP	NA	NA
+PJ113940	ACCMMMHR 	C36H63N13O9S5	981.3476	NA	PeJP	NA	NA
+PJ113941	SCCCHHHR 	C36H55N17O10S3	981.348	NA	PeJP	NA	NA
+PJ113942	SSNNDEMW 	C39H55N11O17S	981.3498	NA	PeJP	NA	NA
+PJ113943	GGSSNDEMW 	C39H55N11O17S	981.3499	NA	PeJP	NA	NA
+PJ113944	SSTCMMHW 	C40H59N11O12S3	981.3507	NA	PeJP	NA	NA
+PJ113945	GCNNDHHW 	C40H51N15O13S	981.3512	NA	PeJP	NA	NA
+PJ113946	CCNFFYW 	C48H55N9O10S2	981.3514	NA	PeJP	NA	NA
+PJ113947	SSSSNNEEE 	C35H55N11O22	981.3523	NA	PeJP	NA	NA
+PJ113948	GGSSSSNEEE 	C35H55N11O22	981.3524	NA	PeJP	NA	NA
+PJ113949	GDDEEMMR 	C36H59N11O17S2	981.3532	NA	PeJP	NA	NA
+PJ113950	GSSNNDDHH 	C36H51N15O18	981.3537	NA	PeJP	NA	NA
+PJ113951	SDEEMWW 	C44H55N9O15S	981.3539	NA	PeJP	NA	NA
+PJ113952	SSQMMMMH 	C37H63N11O12S4	981.3541	NA	PeJP	NA	NA
+PJ113953	PCCDDHHR 	C37H55N15O13S2	981.3546	NA	PeJP	NA	NA
+PJ113954	PCEMMWW 	C45H59N9O10S3	981.3547	NA	PeJP	NA	NA
+PJ113955	GGACCMFFF 	C45H59N9O10S3	981.3548	NA	PeJP	NA	NA
+PJ113956	SSSSSSDYY 	C40H55N9O20	981.3563	NA	PeJP	NA	NA
+PJ113957	SSSEEEEW 	C40H55N9O20	981.3564	NA	PeJP	NA	NA
+PJ113958	QEEEMMW 	C41H59N9O15S2	981.3572	NA	PeJP	NA	NA
+PJ113959	GAEEEMMW 	C41H59N9O15S2	981.3573	NA	PeJP	NA	NA
+PJ113960	GSDDEHHW 	C41H51N13O16	981.3577	NA	PeJP	NA	NA
+PJ113961	CCNNNQMR 	C34H59N15O13S3	981.3579	NA	PeJP	NA	NA
+PJ113962	GGGGGGCCQMR 	C34H59N15O13S3	981.358	NA	PeJP	NA	NA
+PJ113963	SPPCMMMW 	C42H63N9O10S4	981.3581	NA	PeJP	NA	NA
+PJ113964	CCNDRWW 	C42H55N13O11S2	981.3586	NA	PeJP	NA	NA
+PJ113965	STQEEEEM 	C37H59N9O20S	981.3597	NA	PeJP	NA	NA
+PJ113966	GGTTEEEEM 	C37H59N9O20S	981.3598	NA	PeJP	NA	NA
+PJ113967	SEEEYYY 	C45H55N7O18	981.3604	NA	PeJP	NA	NA
+PJ113968	SPQEEMMM 	C38H63N9O15S3	981.3606	NA	PeJP	NA	NA
+PJ113969	SSCNDDRW 	C38H55N13O16S	981.3611	NA	PeJP	NA	NA
+PJ113970	PDMMYYY 	C46H59N7O13S2	981.3613	NA	PeJP	NA	NA
+PJ113971	PPNMMMMM 	C39H67N9O10S5	981.3615	NA	PeJP	NA	NA
+PJ113972	SPCCCQRW 	C39H59N13O11S3	981.362	NA	PeJP	NA	NA
+PJ113973	GCNMWWW 	C47H55N11O9S2	981.3626	NA	PeJP	NA	NA
+PJ113974	SSSSNDDDR 	C34H55N13O21	981.3636	NA	PeJP	NA	NA
+PJ113975	GSSNNNQMM 	C35H59N13O16S2	981.3644	NA	PeJP	NA	NA
+PJ113976	SNNDDMMR 	C35H59N13O16S2	981.3645	NA	PeJP	NA	NA
+PJ113977	GSSNDMWW 	C43H55N11O14S	981.3651	NA	PeJP	NA	NA
+PJ113978	SSCMMMHR 	C36H63N13O11S4	981.3653	NA	PeJP	NA	NA
+PJ113979	GPCCCKWW 	C44H59N11O9S3	981.366	NA	PeJP	NA	NA
+PJ113980	GSSSSNEEW 	C39H55N11O19	981.3676	NA	PeJP	NA	NA
+PJ113981	DDEMMRW 	C40H59N11O14S2	981.3685	NA	PeJP	NA	NA
+PJ113982	PCDEFWW 	C48H55N9O12S	981.3691	NA	PeJP	NA	NA
+PJ113983	CCCNNNRR 	C33H59N17O12S3	981.3692	NA	PeJP	NA	NA
+PJ113984	GCNMHHHF 	C41H55N15O10S2	981.3698	NA	PeJP	NA	NA
+PJ113985	SSDEEEMR 	C36H59N11O19S	981.371	NA	PeJP	NA	NA
+PJ113986	GSPDEEYW 	C44H55N9O17	981.3716	NA	PeJP	NA	NA
+PJ113987	GSSTTMMMH 	C37H63N11O14S3	981.3718	NA	PeJP	NA	NA
+PJ113988	SPDDMMMR 	C37H63N11O14S3	981.3719	NA	PeJP	NA	NA
+PJ113989	GDDDMHHR 	C37H55N15O15S	981.3723	NA	PeJP	NA	NA
+PJ113990	AEEMMWW 	C45H59N9O12S2	981.3725	NA	PeJP	NA	NA
+PJ113991	ACKMMMMH 	C38H67N11O9S5	981.3727	NA	PeJP	NA	NA
+PJ113992	SDDHHWW 	C45H51N13O13	981.373	NA	PeJP	NA	NA
+PJ113993	SCCKMHHH 	C38H59N15O10S3	981.3732	NA	PeJP	NA	NA
+PJ113994	GTTEEEMW 	C41H59N9O17S	981.375	NA	PeJP	NA	NA
+PJ113995	PDDFYYY 	C49H55N7O15	981.3756	NA	PeJP	NA	NA
+PJ113996	DDEFFFY 	C49H55N7O15	981.3757	NA	PeJP	NA	NA
+PJ113997	GPTEMMMW 	C42H63N9O12S3	981.3759	NA	PeJP	NA	NA
+PJ113998	GCNNNQFW 	C42H55N13O13S	981.3763	NA	PeJP	NA	NA
+PJ113999	GGGGGCNQFW 	C42H55N13O13S	981.3764	NA	PeJP	NA	NA
+PJ114000	PCCCNMRR 	C35H63N15O10S4	981.3766	NA	PeJP	NA	NA
+PJ114001	CCMHFRW 	C43H59N13O8S3	981.3772	NA	PeJP	NA	NA
+PJ114002	GSTTTEEEE 	C37H59N9O22	981.3775	NA	PeJP	NA	NA
+PJ114003	GKEEEEMM 	C38H63N9O17S2	981.3784	NA	PeJP	NA	NA
+PJ114004	SSSSSNNNW 	C38H55N13O18	981.3788	NA	PeJP	NA	NA
+PJ114005	GGGGGGSSSSSW 	C38H55N13O18	981.3789	NA	PeJP	NA	NA
+PJ114006	VDEMYYY 	C46H59N7O15S	981.379	NA	PeJP	NA	NA
+PJ114007	PVNEMMMM 	C39H67N9O12S4	981.3792	NA	PeJP	NA	NA
+PJ114008	GGPVEMMMM 	C39H67N9O12S4	981.3793	NA	PeJP	NA	NA
+PJ114009	GSCNEMRW 	C39H59N13O13S2	981.3797	NA	PeJP	NA	NA
+PJ114010	PMMMFYY 	C47H63N7O10S3	981.3799	NA	PeJP	NA	NA
+PJ114011	GNDEHHHH 	C39H51N17O14	981.3802	NA	PeJP	NA	NA
+PJ114012	SSCQWWW 	C47H55N11O11S	981.3804	NA	PeJP	NA	NA
+PJ114013	GSSSNDEMR 	C35H59N13O18S	981.3822	NA	PeJP	NA	NA
+PJ114014	SSSSNEWW 	C43H55N11O16	981.3829	NA	PeJP	NA	NA
+PJ114015	GNNEMMMR 	C36H63N13O13S3	981.3831	NA	PeJP	NA	NA
+PJ114016	LMMMMYY 	C44H67N7O10S4	981.3833	NA	PeJP	NA	NA
+PJ114017	SCNNDHHR 	C36H55N17O14S	981.3836	NA	PeJP	NA	NA
+PJ114018	SNQMMWW 	C44H59N11O11S2	981.3837	NA	PeJP	NA	NA
+PJ114019	GGGGAPCMFW 	C44H59N11O11S2	981.3838	NA	PeJP	NA	NA
+PJ114020	SSSQQEMW 	C40H59N11O16S	981.3862	NA	PeJP	NA	NA
+PJ114021	GGGGGGPTEMY 	C40H59N11O16S	981.3863	NA	PeJP	NA	NA
+PJ114022	SPDEYWW 	C48H55N9O14	981.3869	NA	PeJP	NA	NA
+PJ114023	QQQMMMW 	C41H63N11O11S3	981.3871	NA	PeJP	NA	NA
+PJ114024	CDEHHRW 	C41H55N15O12S	981.3876	NA	PeJP	NA	NA
+PJ114025	PPCMYWW 	C49H59N9O9S2	981.3878	NA	PeJP	NA	NA
+PJ114026	SSSSNDKEE 	C36H59N11O21	981.3887	NA	PeJP	NA	NA
+PJ114027	GTEEEMMR 	C37H63N11O16S2	981.3896	NA	PeJP	NA	NA
+PJ114028	SSDDEHHR 	C37H55N15O17	981.3901	NA	PeJP	NA	NA
+PJ114029	SQQMYYY 	C45H59N9O14S	981.3902	NA	PeJP	NA	NA
+PJ114030	TTEEMWW 	C45H59N9O14S	981.3903	NA	PeJP	NA	NA
+PJ114031	GPEMMMMR 	C38H67N11O11S4	981.3905	NA	PeJP	NA	NA
+PJ114032	GNQQMMHH 	C38H59N15O12S2	981.3909	NA	PeJP	NA	NA
+PJ114033	GSCCDRRW 	C38H59N15O12S2	981.391	NA	PeJP	NA	NA
+PJ114034	PTMMMWW 	C46H63N9O9S3	981.3911	NA	PeJP	NA	NA
+PJ114035	GEMHHWW 	C46H55N13O10S	981.3916	NA	PeJP	NA	NA
+PJ114036	SSSSSTTYY 	C41H59N9O19	981.3927	NA	PeJP	NA	NA
+PJ114037	STTTEEEW 	C41H59N9O19	981.3928	NA	PeJP	NA	NA
+PJ114038	SSSSCNNQR 	C34H59N15O17S	981.3934	NA	PeJP	NA	NA
+PJ114039	GSSSCDDRR 	C34H59N15O17S	981.3935	NA	PeJP	NA	NA
+PJ114040	KEEEMMW 	C42H63N9O14S2	981.3936	NA	PeJP	NA	NA
+PJ114041	NNDDRYW 	C42H55N13O15	981.3941	NA	PeJP	NA	NA
+PJ114042	PDMFFYY 	C50H59N7O12S	981.3943	NA	PeJP	NA	NA
+PJ114043	GPVMMMMW 	C43H67N9O9S4	981.3945	NA	PeJP	NA	NA
+PJ114044	SCNMRWW 	C43H59N13O10S2	981.395	NA	PeJP	NA	NA
+PJ114045	NDHHHHW 	C43H51N17O11	981.3954	NA	PeJP	NA	NA
+PJ114046	GGDHHHHW 	C43H51N17O11	981.3955	NA	PeJP	NA	NA
+PJ114047	GCHFFWW 	C51H55N11O8S	981.3956	NA	PeJP	NA	NA
+PJ114048	STKEEEEM 	C38H63N9O19S	981.3961	NA	PeJP	NA	NA
+MJ099089	Aeruginoguanidines; Aeruginoguanidine 98A 	C39H67N9O14S3	981.396959	NA	MeJP	NA	NA
+PJ114049	SPKEEMMM 	C39H67N9O14S3	981.397	NA	PeJP	NA	NA
+PJ114050	SSSNDMRW 	C39H59N13O15S	981.3975	NA	PeJP	NA	NA
+PJ114051	VEMMFYY 	C47H63N7O12S2	981.3976	NA	PeJP	NA	NA
+PJ114052	GSSSSWWW 	C47H55N11O13	981.3981	NA	PeJP	NA	NA
+PJ114053	NNMMMRW 	C40H63N13O10S3	981.3983	NA	PeJP	NA	NA
+PJ114054	GGGGMMMRW 	C40H63N13O10S3	981.3984	NA	PeJP	NA	NA
+PJ114055	SPCQHHHH 	C40H55N17O11S	981.3988	NA	PeJP	NA	NA
+PJ114056	ACCKWWW 	C48H59N11O8S2	981.399	NA	PeJP	NA	NA
+MJ099090	Kanglemycin A 	C50H63NO19	981.399428	NA	MeJP	NA	NA
+PJ114057	GSSSSSTNQQ 	C35H59N13O20	981.3999	NA	PeJP	NA	NA
+PJ114058	SSSSSNEER 	C35H59N13O20	981.4	NA	PeJP	NA	NA
+PJ114059	SSNQEMMR 	C36H63N13O15S2	981.4008	NA	PeJP	NA	NA
+PJ114060	GGGGSTEMMR 	C36H63N13O15S2	981.4009	NA	PeJP	NA	NA
+PJ114061	NNNNNQQH 	C36H55N17O16	981.4013	NA	PeJP	NA	NA
+PJ114062	GGGGGGGGGGGAQH 	C36H55N17O16	981.4014	NA	PeJP	NA	NA
+PJ114063	GSSTQMWW 	C44H59N11O13S	981.4015	NA	PeJP	NA	NA
+PJ114064	PCCNKMMR 	C37H67N13O10S4	981.4017	NA	PeJP	NA	NA
+PJ114065	EEFWWW 	C52H55N9O11	981.4021	NA	PeJP	NA	NA
+PJ114066	GCNQMHHR 	C37H59N17O11S2	981.4022	NA	PeJP	NA	NA
+PJ114067	CKMMHFW 	C45H63N11O8S3	981.4024	NA	PeJP	NA	NA
+PJ114068	GSSSSDKEW 	C40H59N11O18	981.404	NA	PeJP	NA	NA
+PJ114069	GPQQQMMY 	C41H63N11O13S2	981.4048	NA	PeJP	NA	NA
+PJ114070	TEEMMRW 	C41H63N11O13S2	981.4049	NA	PeJP	NA	NA
+PJ114071	SSSNQHHW 	C41H55N15O14	981.4053	NA	PeJP	NA	NA
+PJ114072	GGGGGGSPNHW 	C41H55N15O14	981.4054	NA	PeJP	NA	NA
+PJ114073	APEMYWW 	C49H59N9O11S	981.4055	NA	PeJP	NA	NA
+PJ114074	GCCCERRR 	C34H63N17O11S3	981.4056	NA	PeJP	NA	NA
+PJ114075	PMMMMRW 	C42H67N11O8S4	981.4057	NA	PeJP	NA	NA
+PJ114076	ACCKHHHF 	C42H59N15O9S2	981.4062	NA	PeJP	NA	NA
+PJ114077	MHHWWW 	C50H55N13O7S	981.4069	NA	PeJP	NA	NA
+PJ114078	SSSSVQQEM 	C37H63N11O18S	981.4073	NA	PeJP	NA	NA
+PJ114079	STTEEEMR 	C37H63N11O18S	981.4074	NA	PeJP	NA	NA
+PJ114080	VQEEEYW 	C45H59N9O16	981.408	NA	PeJP	NA	NA
+PJ114081	GVEEMMMR 	C38H67N11O13S3	981.4082	NA	PeJP	NA	NA
+PJ114082	GGGGGATLMMM 	C38H67N11O13S3	981.4083	NA	PeJP	NA	NA
+PJ114083	GNNNNMRY 	C38H59N15O14S	981.4087	NA	PeJP	NA	NA
+PJ114084	SLEMMWW 	C46H63N9O11S2	981.4089	NA	PeJP	NA	NA
+PJ114085	STEHHWW 	C46H55N13O12	981.4093	NA	PeJP	NA	NA
+PJ114086	PNNEHWW 	C46H55N13O12	981.4094	NA	PeJP	NA	NA
+PJ114087	CCQMRRW 	C39H63N15O9S3	981.4096	NA	PeJP	NA	NA
+PJ114088	GSSSSSSNNR 	C34H59N15O19	981.4112	NA	PeJP	NA	NA
+PJ114089	SSTLEEMW 	C42H63N9O16S	981.4114	NA	PeJP	NA	NA
+PJ114090	PVDYYYY 	C50H59N7O14	981.412	NA	PeJP	NA	NA
+PJ114091	SSCNEMRR 	C35H63N15O14S2	981.4121	NA	PeJP	NA	NA
+PJ114092	AALEMMMW 	C43H67N9O11S3	981.4123	NA	PeJP	NA	NA
+PJ114093	GSSTCRWW 	C43H59N13O12S	981.4127	NA	PeJP	NA	NA
+PJ114094	GGGGGGGCKFW 	C43H59N13O12S	981.4128	NA	PeJP	NA	NA
+PJ114095	PMMFFFY 	C51H63N7O9S2	981.4129	NA	PeJP	NA	NA
+PJ114096	NQYWWW 	C51H55N11O10	981.4134	NA	PeJP	NA	NA
+PJ114097	SSSTTLEEE 	C38H63N9O21	981.4139	NA	PeJP	NA	NA
+PJ114098	MHHHHHF 	C44H55N17O8S	981.4141	NA	PeJP	NA	NA
+PJ114099	SSPTTLDMM 	C39H67N9O16S2	981.4147	NA	PeJP	NA	NA
+PJ114100	SVKEEEMM 	C39H67N9O16S2	981.4148	NA	PeJP	NA	NA
+PJ114101	GSSSSSERW 	C39H59N13O17	981.4152	NA	PeJP	NA	NA
+PJ114102	GGGGGGGGSKEY 	C39H59N13O17	981.4153	NA	PeJP	NA	NA
+PJ114103	TLEMYYY 	C47H63N7O14S	981.4154	NA	PeJP	NA	NA
+PJ114104	PVDKMMMM 	C40H71N9O11S4	981.4156	NA	PeJP	NA	NA
+PJ114105	GSSQMMRW 	C40H63N13O12S2	981.4161	NA	PeJP	NA	NA
+PJ114106	LMMMFFY 	C48H67N7O9S3	981.4163	NA	PeJP	NA	NA
+PJ114107	GTQEHHHH 	C40H55N17O13	981.4166	NA	PeJP	NA	NA
+PJ114108	SSCKWWW 	C48H59N11O10S	981.4167	NA	PeJP	NA	NA
+PJ114109	GGAQMFWW 	C48H59N11O10S	981.4168	NA	PeJP	NA	NA
+PJ114110	GSSSTQEMR 	C36H63N13O17S	981.4186	NA	PeJP	NA	NA
+PJ114111	SSSSDKWW 	C44H59N11O15	981.4192	NA	PeJP	NA	NA
+PJ114112	AEEERYW 	C44H59N11O15	981.4193	NA	PeJP	NA	NA
+PJ114113	EEMMMRR 	C37H67N13O12S3	981.4195	NA	PeJP	NA	NA
+PJ114114	SSNNMHHR 	C37H59N17O13S	981.4199	NA	PeJP	NA	NA
+PJ114115	GGGGSSMHHR 	C37H59N17O13S	981.42	NA	PeJP	NA	NA
+PJ114116	SNKMMWW 	C45H63N11O10S2	981.4201	NA	PeJP	NA	NA
+PJ114117	NNQHHFW 	C45H55N15O11	981.4206	NA	PeJP	NA	NA
+PJ114118	PPCFFWW 	C53H59N9O8S	981.4208	NA	PeJP	NA	NA
+PJ114119	SSSQKEMW 	C41H63N11O15S	981.4226	NA	PeJP	NA	NA
+PJ114120	GLEEYWW 	C49H59N9O13	981.4233	NA	PeJP	NA	NA
+PJ114121	VEMMMRW 	C42H67N11O10S3	981.4235	NA	PeJP	NA	NA
+PJ114122	SEMHHRW 	C42H59N15O11S	981.424	NA	PeJP	NA	NA
+PJ114123	PCLMFWW 	C50H63N9O8S2	981.4241	NA	PeJP	NA	NA
+PJ114124	GPNHWWW 	C50H55N13O9	981.4246	NA	PeJP	NA	NA
+PJ114125	SSSSTQKEE 	C37H63N11O20	981.4251	NA	PeJP	NA	NA
+PJ114126	SSLEEMMR 	C38H67N11O15S2	981.426	NA	PeJP	NA	NA
+PJ114127	SSNNNQRY 	C38H59N15O16	981.4264	NA	PeJP	NA	NA
+PJ114128	GSNDDRRY 	C38H59N15O16	981.4265	NA	PeJP	NA	NA
+PJ114129	PKEEMYW 	C46H63N9O13S	981.4266	NA	PeJP	NA	NA
+PJ114130	GALEEMFW 	C46H63N9O13S	981.4267	NA	PeJP	NA	NA
+PJ114131	SPVMMMMR 	C39H71N11O10S4	981.4269	NA	PeJP	NA	NA
+PJ114132	GSSCMRRW 	C39H63N15O11S2	981.4273	NA	PeJP	NA	NA
+PJ114133	GGGAPPCMHR 	C39H63N15O11S2	981.4274	NA	PeJP	NA	NA
+PJ114134	VVMMMWW 	C47H67N9O8S3	981.4275	NA	PeJP	NA	NA
+PJ114135	GSDHHHHR 	C39H55N19O12	981.4278	NA	PeJP	NA	NA
+PJ114136	GCQFRWW 	C47H59N13O9S	981.428	NA	PeJP	NA	NA
+PJ114137	SPTKEEEY 	C42H63N9O18	981.4291	NA	PeJP	NA	NA
+PJ114138	GVKEEEEY 	C42H63N9O18	981.4292	NA	PeJP	NA	NA
+PJ114139	GSSSSDMRR 	C35H63N15O16S	981.4298	NA	PeJP	NA	NA
+PJ114140	ATTLEMMW 	C43H67N9O13S2	981.43	NA	PeJP	NA	NA
+PJ114141	SSSSSRWW 	C43H59N13O14	981.4305	NA	PeJP	NA	NA
+PJ114142	PVMFYYY 	C51H63N7O11S	981.4307	NA	PeJP	NA	NA
+PJ114143	NMMHFFR 	C44H63N13O9S2	981.4313	NA	PeJP	NA	NA
+PJ114144	TCCKRWW 	C44H63N13O9S2	981.4314	NA	PeJP	NA	NA
+PJ114145	TQHHHHW 	C44H55N17O10	981.4318	NA	PeJP	NA	NA
+PJ114146	SSSSLLEEM 	C39H67N9O18S	981.4325	NA	PeJP	NA	NA
+PJ114147	ALKEEMMM 	C40H71N9O13S3	981.4334	NA	PeJP	NA	NA
+PJ114148	SSSTQMRW 	C40H63N13O14S	981.4338	NA	PeJP	NA	NA
+PJ114149	GGSSTTMRW 	C40H63N13O14S	981.4339	NA	PeJP	NA	NA
+PJ114150	VLMMYYY 	C48H67N7O11S2	981.434	NA	PeJP	NA	NA
+PJ114151	GNKEYWW 	C48H59N11O12	981.4345	NA	PeJP	NA	NA
+PJ114152	CQKMMRW 	C41H67N13O9S3	981.4347	NA	PeJP	NA	NA
+PJ114153	GVQMHHHH 	C41H59N17O10S	981.4352	NA	PeJP	NA	NA
+PJ114154	SSSSSDKER 	C36H63N13O19	981.4363	NA	PeJP	NA	NA
+PJ114155	GGSSSTTTER 	C36H63N13O19	981.4364	NA	PeJP	NA	NA
+PJ114156	SSNKEMMR 	C37H67N13O14S2	981.4372	NA	PeJP	NA	NA
+PJ114157	GSSSSQHHR 	C37H59N17O15	981.4377	NA	PeJP	NA	NA
+PJ114158	GSSTKMWW 	C45H63N11O12S	981.4379	NA	PeJP	NA	NA
+PJ114159	LEYWWW 	C53H59N9O10	981.4385	NA	PeJP	NA	NA
+PJ114160	DMMHHRR 	C38H63N17O10S2	981.4386	NA	PeJP	NA	NA
+PJ114161	PCHHFRW 	C46H59N15O8S	981.4392	NA	PeJP	NA	NA
+PJ114162	GSSSTTKEW 	C41H63N11O17	981.4404	NA	PeJP	NA	NA
+PJ114163	GTTQKMMW 	C42H67N11O12S2	981.4412	NA	PeJP	NA	NA
+PJ114164	GSDKKMMW 	C42H67N11O12S2	981.4413	NA	PeJP	NA	NA
+PJ114165	GSPNEHRW 	C42H59N15O13	981.4417	NA	PeJP	NA	NA
+PJ114166	GGGGGGGGALHW 	C42H59N15O13	981.4418	NA	PeJP	NA	NA
+PJ114167	SPLMYWW 	C50H63N9O10S	981.4419	NA	PeJP	NA	NA
+PJ114168	CLMHHRW 	C43H63N15O8S2	981.4426	NA	PeJP	NA	NA
+PJ114169	GSSSKKEEM 	C38H67N11O17S	981.4437	NA	PeJP	NA	NA
+PJ114170	GSSTDKKEM 	C38H67N11O17S	981.4438	NA	PeJP	NA	NA
+PJ114171	VKEEEYW 	C46H63N9O15	981.4444	NA	PeJP	NA	NA
+PJ114172	ATLEMMMR 	C39H71N11O12S3	981.4446	NA	PeJP	NA	NA
+PJ114173	SSSTCRRW 	C39H63N15O13S	981.4451	NA	PeJP	NA	NA
+PJ114174	AAPLMMYW 	C47H67N9O10S2	981.4453	NA	PeJP	NA	NA
+PJ114175	GSQRYWW 	C47H59N13O11	981.4457	NA	PeJP	NA	NA
+PJ114176	GGPDKHWW 	C47H59N13O11	981.4458	NA	PeJP	NA	NA
+PJ114177	PMFFFFF 	C55H63N7O8S	981.4459	NA	PeJP	NA	NA
+PJ114178	CCKMRRW 	C40H67N15O8S3	981.446	NA	PeJP	NA	NA
+PJ114179	QMHHHHR 	C40H59N19O9S	981.4464	NA	PeJP	NA	NA
+PJ114180	SSSSSSERR 	C35H63N15O18	981.4476	NA	PeJP	NA	NA
+PJ114181	TTTTLEMW 	C43H67N9O15S	981.4478	NA	PeJP	NA	NA
+PJ114182	PTLYYYY 	C51H63N7O13	981.4484	NA	PeJP	NA	NA
+PJ114183	GGSSTMMRR 	C36H67N15O13S2	981.4485	NA	PeJP	NA	NA
+PJ114184	GTLLMMMW 	C44H71N9O10S3	981.4486	NA	PeJP	NA	NA
+PJ114185	GGPVLMMMF 	C44H71N9O10S3	981.4487	NA	PeJP	NA	NA
+PJ114186	GNNNDHRR 	C36H59N19O14	981.4489	NA	PeJP	NA	NA
+PJ114187	GGGGGNDHRR 	C36H59N19O14	981.449	NA	PeJP	NA	NA
+PJ114188	AQQMRYW 	C44H63N13O11S	981.4491	NA	PeJP	NA	NA
+PJ114189	LMMFFFF 	C52H67N7O8S2	981.4493	NA	PeJP	NA	NA
+PJ114190	NKYWWW 	C52H59N11O9	981.4498	NA	PeJP	NA	NA
+PJ114191	STTTTTLEE 	C39H67N9O20	981.4503	NA	PeJP	NA	NA
+PJ114192	TTLKEEMM 	C40H71N9O15S2	981.4511	NA	PeJP	NA	NA
+PJ114193	GSSSTTTRW 	C40H63N13O16	981.4516	NA	PeJP	NA	NA
+PJ114194	GGGGGGGGAPPLE 	C40H63N13O16	981.4517	NA	PeJP	NA	NA
+PJ114195	PTLKMMMM 	C41H75N9O10S4	981.452	NA	PeJP	NA	NA
+PJ114196	GSSKMMRW 	C41H67N13O11S2	981.4525	NA	PeJP	NA	NA
+PJ114197	NNQQHRW 	C41H59N17O12	981.4529	NA	PeJP	NA	NA
+PJ114198	GGNQQHRW 	C41H59N17O12	981.453	NA	PeJP	NA	NA
+PJ114199	GQKMFWW 	C49H63N11O9S	981.4531	NA	PeJP	NA	NA
+PJ114200	GSSSTKEMR 	C37H67N13O16S	981.455	NA	PeJP	NA	NA
+PJ114201	SSSTTKWW 	C45H63N11O14	981.4556	NA	PeJP	NA	NA
+PJ114202	GGPPPDKEW 	C45H63N11O14	981.4557	NA	PeJP	NA	NA
+PJ114203	GTQKMMMR 	C38H71N13O11S3	981.4559	NA	PeJP	NA	NA
+PJ114204	CNDRRRY 	C38H63N17O12S	981.4563	NA	PeJP	NA	NA
+PJ114205	GGGGGGPCKHR 	C38H63N17O12S	981.4564	NA	PeJP	NA	NA
+PJ114206	TCKKMWW 	C46H67N11O9S2	981.4565	NA	PeJP	NA	NA
+PJ114207	SPNHRWW 	C46H59N15O10	981.457	NA	PeJP	NA	NA
+PJ114208	CHHHHRR 	C39H59N21O8S	981.4577	NA	PeJP	NA	NA
+MJ099091	Cupolamide A 	C42H67N11O14S	981.458966	NA	MeJP	NA	NA
+PJ114209	SSSKKEMW 	C42H67N11O14S	981.459	NA	PeJP	NA	NA
+PJ114210	SVLEYWW 	C50H63N9O12	981.4596	NA	PeJP	NA	NA
+PJ114211	VVTEYWW 	C50H63N9O12	981.4597	NA	PeJP	NA	NA
+PJ114212	QKKMMMW 	C43H71N11O9S3	981.4599	NA	PeJP	NA	NA
+PJ114213	GNMRRYW 	C43H63N15O10S	981.4603	NA	PeJP	NA	NA
+PJ114214	GGGMRRYW 	C43H63N15O10S	981.4604	NA	PeJP	NA	NA
+PJ114215	GLHHFWW 	C51H59N13O8	981.461	NA	PeJP	NA	NA
+PJ114216	SSSSTKKEE 	C38H67N11O19	981.4615	NA	PeJP	NA	NA
+PJ114217	TTTLEMMR 	C39H71N11O14S2	981.4624	NA	PeJP	NA	NA
+PJ114218	GSSQERRY 	C39H63N15O15	981.4628	NA	PeJP	NA	NA
+PJ114219	GGGSTERRY 	C39H63N15O15	981.4629	NA	PeJP	NA	NA
+PJ114220	LLQEMYW 	C47H67N9O12S	981.463	NA	PeJP	NA	NA
+PJ114221	AVLMMMMR 	C40H75N11O9S4	981.4632	NA	PeJP	NA	NA
+PJ114222	GLLMMMMR 	C40H75N11O9S4	981.4633	NA	PeJP	NA	NA
+PJ114223	PVFFFYY 	C55H63N7O10	981.4637	NA	PeJP	NA	NA
+PJ114224	GTTHHHHR 	C40H59N19O11	981.4642	NA	PeJP	NA	NA
+PJ114225	GCKFRWW 	C48H63N13O8S	981.4644	NA	PeJP	NA	NA
+PJ114226	ATLKEEEY 	C43H67N9O17	981.4655	NA	PeJP	NA	NA
+PJ114227	GSSSTTMRR 	C36H67N15O15S	981.4662	NA	PeJP	NA	NA
+PJ114228	STTLLMMW 	C44H71N9O12S2	981.4664	NA	PeJP	NA	NA
+PJ114229	SNKERYW 	C44H63N13O13	981.4669	NA	PeJP	NA	NA
+PJ114230	VLMFFYY 	C52H67N7O10S	981.467	NA	PeJP	NA	NA
+PJ114231	GTCKMMRR 	C37H71N15O10S3	981.4671	NA	PeJP	NA	NA
+PJ114232	LKMMHHW 	C45H67N13O8S2	981.4677	NA	PeJP	NA	NA
+PJ114233	TKHHHHW 	C45H59N17O9	981.4682	NA	PeJP	NA	NA
+PJ114234	SSTTTLLEM 	C40H71N9O17S	981.4689	NA	PeJP	NA	NA
+PJ114235	SLLKEMMM 	C41H75N9O12S3	981.4698	NA	PeJP	NA	NA
+PJ114236	SSSTKMRW 	C41H67N13O13S	981.4702	NA	PeJP	NA	NA
+PJ114237	GGAAKEMRY 	C41H67N13O13S	981.4703	NA	PeJP	NA	NA
+PJ114238	GDKKYWW 	C49H63N11O11	981.4709	NA	PeJP	NA	NA
+PJ114239	CKKMMRW 	C42H71N13O8S3	981.4711	NA	PeJP	NA	NA
+PJ114240	PCQHRRW 	C42H63N17O9S	981.4716	NA	PeJP	NA	NA
+PJ114241	SSSSTTKER 	C37H67N13O18	981.4727	NA	PeJP	NA	NA
+PJ114242	SSDKKMMR 	C38H71N13O13S2	981.4736	NA	PeJP	NA	NA
+PJ114243	QQEEHRR 	C38H63N17O14	981.4741	NA	PeJP	NA	NA
+PJ114244	VVEMRYW 	C46H67N11O11S	981.4743	NA	PeJP	NA	NA
+PJ114245	APLFYWW 	C54H63N9O9	981.4749	NA	PeJP	NA	NA
+PJ114246	CNMFRRR 	C39H67N17O9S2	981.475	NA	PeJP	NA	NA
+PJ114247	ASSTTTTKW 	C42H67N11O16	981.4767	NA	PeJP	NA	NA
+PJ114248	SSSSSTLKW 	C42H67N11O16	981.4768	NA	PeJP	NA	NA
+PJ114249	GTTKKMMW 	C43H71N11O11S2	981.4776	NA	PeJP	NA	NA
+PJ114250	GGGAALKMMF 	C43H71N11O11S2	981.4777	NA	PeJP	NA	NA
+PJ114251	SSQRRYW 	C43H63N15O12	981.4781	NA	PeJP	NA	NA
+PJ114252	ALLMYWW 	C51H67N9O9S	981.4783	NA	PeJP	NA	NA
+MJ099092	Liposidomycin; Liposidomycin K-I, Desulfo 	C46H71N5O18	981.47941	NA	MeJP	NA	NA
+PJ114253	GSTTTKKEM 	C39H71N11O16S	981.4801	NA	PeJP	NA	NA
+PJ114254	GTTLLEYW 	C47H67N9O14	981.4808	NA	PeJP	NA	NA
+PJ114255	STLLMMMR 	C40H75N11O11S3	981.481	NA	PeJP	NA	NA
+PJ114256	NDKMRRY 	C40H67N15O12S	981.4815	NA	PeJP	NA	NA
+PJ114257	AALLMMFW 	C48H71N9O9S2	981.4817	NA	PeJP	NA	NA
+PJ114258	GSKRYWW 	C48H63N13O10	981.4821	NA	PeJP	NA	NA
+PJ114259	KMHHHHR 	C41H63N19O8S	981.4828	NA	PeJP	NA	NA
+PJ114260	SSSSTTTRR 	C36H67N15O17	981.484	NA	PeJP	NA	NA
+PJ114261	SVLLQEMY 	C44H71N9O14S	981.4841	NA	PeJP	NA	NA
+PJ114262	GLLKEEMY 	C44H71N9O14S	981.4842	NA	PeJP	NA	NA
+PJ114263	VVLYYYY 	C52H67N7O12	981.4848	NA	PeJP	NA	NA
+PJ114264	PVVKMMMF 	C45H75N9O9S3	981.485	NA	PeJP	NA	NA
+PJ114265	NDEHRRR 	C37H63N19O13	981.4853	NA	PeJP	NA	NA
+PJ114266	AQKMRYW 	C45H67N13O10S	981.4855	NA	PeJP	NA	NA
+PJ114267	AKHFFFW 	C53H63N11O8	981.4861	NA	PeJP	NA	NA
+PJ114268	PPLHFWW 	C53H63N11O8	981.4862	NA	PeJP	NA	NA
+PJ114269	SSSTLLLMM 	C41H75N9O14S2	981.4875	NA	PeJP	NA	NA
+PJ114270	GSDKKERY 	C41H67N13O15	981.488	NA	PeJP	NA	NA
+PJ114271	VVLKMMMM 	C42H79N9O9S4	981.4884	NA	PeJP	NA	NA
+PJ114272	GPCKKMRY 	C42H71N13O10S2	981.4889	NA	PeJP	NA	NA
+PJ114273	AQEHRRW 	C42H63N17O11	981.4893	NA	PeJP	NA	NA
+PJ114274	GAAEHRRW 	C42H63N17O11	981.4894	NA	PeJP	NA	NA
+PJ114275	GKKMFWW 	C50H67N11O8S	981.4895	NA	PeJP	NA	NA
+PJ114276	SSSSSLKMR 	C38H71N13O15S	981.4914	NA	PeJP	NA	NA
+PJ114277	TQKKEYW 	C46H67N11O13	981.492	NA	PeJP	NA	NA
+PJ114278	GTKKMMMR 	C39H75N13O10S3	981.4922	NA	PeJP	NA	NA
+PJ114279	AACCCKKKK 	C39H75N13O10S3	981.4923	NA	PeJP	NA	NA
+PJ114280	SNMRRRY 	C39H67N17O11S	981.4927	NA	PeJP	NA	NA
+PJ114281	VLMMFRW 	C47H71N11O8S2	981.4929	NA	PeJP	NA	NA
+PJ114282	GLQHRWW 	C47H63N15O9	981.4934	NA	PeJP	NA	NA
+PJ114283	STTTKKMW 	C43H71N11O13S	981.4954	NA	PeJP	NA	NA
+PJ114284	TTLLYWW 	C51H67N9O11	981.496	NA	PeJP	NA	NA
+PJ114285	GALLEFFW 	C51H67N9O11	981.4961	NA	PeJP	NA	NA
+PJ114286	KKKMMMW 	C44H75N11O8S3	981.4963	NA	PeJP	NA	NA
+PJ114287	ACKRRYW 	C44H67N15O9S	981.4967	NA	PeJP	NA	NA
+PJ114288	SSTTTTKKE 	C39H71N11O18	981.4979	NA	PeJP	NA	NA
+PJ114289	STKKKEMM 	C40H75N11O13S2	981.4988	NA	PeJP	NA	NA
+PJ114290	GSSKERRY 	C40H67N15O14	981.4992	NA	PeJP	NA	NA
+PJ114291	GAAPPEERR 	C40H67N15O14	981.4993	NA	PeJP	NA	NA
+PJ114292	LLKEMYW 	C48H71N9O11S	981.4994	NA	PeJP	NA	NA
+PJ114293	VLFFFFY 	C56H67N7O9	981.5001	NA	PeJP	NA	NA
+PJ114294	GDHRRRW 	C41H63N19O10	981.5006	NA	PeJP	NA	NA
+PJ114295	STLLKEEY 	C44H71N9O16	981.5019	NA	PeJP	NA	NA
+PJ114296	SPLLKMMY 	C45H75N9O11S2	981.5028	NA	PeJP	NA	NA
+PJ114297	SDKKRYW 	C45H67N13O12	981.5032	NA	PeJP	NA	NA
+PJ114298	GATTKRYW 	C45H67N13O12	981.5033	NA	PeJP	NA	NA
+PJ114299	GPTCHRRR 	C38H67N19O10S	981.504	NA	PeJP	NA	NA
+PJ114300	AAHRRWW 	C46H63N17O8	981.5046	NA	PeJP	NA	NA
+PJ114301	TTTTTTLLM 	C41H75N9O16S	981.5053	NA	PeJP	NA	NA
+PJ114302	QKKEMRY 	C42H71N13O12S	981.5066	NA	PeJP	NA	NA
+PJ114303	GGGGGALLLMH 	C42H71N13O12S	981.5067	NA	PeJP	NA	NA
+PJ114304	ATKKYWW 	C50H67N11O10	981.5073	NA	PeJP	NA	NA
+PJ114305	PCKHRRW 	C43H67N17O8S	981.508	NA	PeJP	NA	NA
+PJ114306	SSTTTTTKR 	C38H71N13O17	981.5091	NA	PeJP	NA	NA
+PJ114307	STTKKMMR 	C39H75N13O12S2	981.51	NA	PeJP	NA	NA
+PJ114308	GSSTRRRY 	C39H67N17O13	981.5105	NA	PeJP	NA	NA
+PJ114309	TLLMRYW 	C47H71N11O10S	981.5106	NA	PeJP	NA	NA
+PJ114310	GGLKKMYW 	C47H71N11O10S	981.5107	NA	PeJP	NA	NA
+PJ114311	ALLFFWW 	C55H67N9O8	981.5113	NA	PeJP	NA	NA
+PJ114312	STTLLERY 	C43H71N11O15	981.5131	NA	PeJP	NA	NA
+PJ114313	GTKKKEEY 	C43H71N11O15	981.5132	NA	PeJP	NA	NA
+PJ114314	GVLLMMRY 	C44H75N11O10S2	981.514	NA	PeJP	NA	NA
+PJ114315	SSKRRYW 	C44H67N15O11	981.5145	NA	PeJP	NA	NA
+PJ114316	SSSTTLKKM 	C40H75N11O15S	981.5165	NA	PeJP	NA	NA
+PJ114317	SSTLLLYW 	C48H71N9O13	981.5172	NA	PeJP	NA	NA
+PJ114318	SVKKKMMM 	C41H79N11O10S3	981.5174	NA	PeJP	NA	NA
+PJ114319	TQKMRRY 	C41H71N15O11S	981.5179	NA	PeJP	NA	NA
+PJ114320	PPLQRWW 	C49H67N13O9	981.5185	NA	PeJP	NA	NA
+PJ114321	SVLLKEMY 	C45H75N9O13S	981.5205	NA	PeJP	NA	NA
+PJ114322	PPPVVTLEM 	C45H75N9O13S	981.5206	NA	PeJP	NA	NA
+PJ114323	TQEHRRR 	C38H67N19O12	981.5217	NA	PeJP	NA	NA
+PJ114324	AKKMRYW 	C46H71N13O9S	981.5219	NA	PeJP	NA	NA
+PJ114325	GTTKKERY 	C42H71N13O14	981.5244	NA	PeJP	NA	NA
+PJ114326	LLMMRRY 	C43H75N13O9S2	981.5253	NA	PeJP	NA	NA
+PJ114327	PPDRRRW 	C43H67N17O10	981.5257	NA	PeJP	NA	NA
+PJ114328	SSSSCKKKK 	C39H75N13O14S	981.5277	NA	PeJP	NA	NA
+PJ114329	TKKKEYW 	C47H71N11O12	981.5284	NA	PeJP	NA	NA
+PJ114330	TCKRRRY 	C40H71N17O10S	981.5291	NA	PeJP	NA	NA
+PJ114331	GLKHRWW 	C48H67N15O8	981.5298	NA	PeJP	NA	NA
+PJ114332	SSLLLMRY 	C44H75N11O12S	981.5318	NA	PeJP	NA	NA
+PJ114333	PLLKYYW 	C52H71N9O10	981.5324	NA	PeJP	NA	NA
+PJ114334	SDHRRRR 	C37H67N21O11	981.5329	NA	PeJP	NA	NA
+PJ114335	PKKMHRW 	C45H71N15O8S	981.5331	NA	PeJP	NA	NA
+PJ114336	TTTTTTTKK 	C40H75N11O17	981.5343	NA	PeJP	NA	NA
+3569	NA	IQSEPKAIP	981.535	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ114337	GTTTKRRY 	C41H71N15O13	981.5356	NA	PeJP	NA	NA
+PJ114338	GGGGGGAAPLLR 	C41H71N15O13	981.5357	NA	PeJP	NA	NA
+PJ114339	APLLKMFY 	C49H75N9O10S	981.5358	NA	PeJP	NA	NA
+PJ114340	ATHRRRW 	C42H67N19O9	981.537	NA	PeJP	NA	NA
+PJ114341	SSSSLLLLY 	C45H75N9O15	981.5383	NA	PeJP	NA	NA
+PJ114342	ALLLKMMY 	C46H79N9O10S2	981.5392	NA	PeJP	NA	NA
+PJ114343	TTKKRYW 	C46H71N13O11	981.5396	NA	PeJP	NA	NA
+PJ114344	GPPLKERW 	C46H71N13O11	981.5397	NA	PeJP	NA	NA
+PJ114345	VQMHRRR 	C39H71N19O9S	981.5403	NA	PeJP	NA	NA
+PJ114346	KKKEMRY 	C43H75N13O11S	981.543	NA	PeJP	NA	NA
+PJ114347	GPPVLKWW 	C51H71N11O9	981.5437	NA	PeJP	NA	NA
+MJ099093	Antibiotic LL-BM 782?1 	C39H75N13O16	981.545473	NA	MeJP	NA	NA
+MJ099094	Antibiotic LL-BM 782?1 	C39H75N13O16	981.545473	NA	MeJP	NA	NA
+HMDB06969	CDP-DG(16:0/18:0)	C46H85N3O15P2	981.545593	NA	HMDB2010	NA	NA
+HMDB06977	CDP-DG(18:0/16:0)	C46H85N3O15P2	981.545593	NA	HMDB2010	NA	NA
+PJ114348	APPTERRR 	C40H71N17O12	981.5469	NA	PeJP	NA	NA
+PJ114349	VKKKMYW 	C48H75N11O9S	981.547	NA	PeJP	NA	NA
+PJ114350	SSLKKKEY 	C44H75N11O14	981.5495	NA	PeJP	NA	NA
+PJ114351	AAPPLKKEE 	C44H75N11O14	981.5496	NA	PeJP	NA	NA
+PJ114352	GLKKKMMF 	C45H79N11O9S2	981.5504	NA	PeJP	NA	NA
+PJ114353	GPPTLRRW 	C45H71N15O10	981.5509	NA	PeJP	NA	NA
+PJ114354	AMHRRRR 	C38H71N21O8S	981.5516	NA	PeJP	NA	NA
+PJ114355	SPVLLKYY 	C49H75N9O12	981.5536	NA	PeJP	NA	NA
+PJ114356	TKKMRRY 	C42H75N15O10S	981.5542	NA	PeJP	NA	NA
+PJ114357	PPPTKMRR 	C42H75N15O10S	981.5543	NA	PeJP	NA	NA
+PJ114358	PPLKRWW 	C50H71N13O8	981.5549	NA	PeJP	NA	NA
+PJ114359	TTLLLKMY 	C46H79N9O12S	981.5569	NA	PeJP	NA	NA
+PJ114360	TKEHRRR 	C39H71N19O11	981.5581	NA	PeJP	NA	NA
+PJ114361	LLMFFRR 	C47H75N13O8S	981.5583	NA	PeJP	NA	NA
+PJ114362	SSTLKKRY 	C43H75N13O13	981.5608	NA	PeJP	NA	NA
+PJ114363	SLKHRRW 	C44H71N17O9	981.5621	NA	PeJP	NA	NA
+PJ114364	STLLLLHW 	C48H75N11O11	981.5648	NA	PeJP	NA	NA
+PJ114365	GPPLMRRR 	C41H75N17O9S	981.5655	NA	PeJP	NA	NA
+PJ114366	ATLKKKMY 	C45H79N11O11S	981.5682	NA	PeJP	NA	NA
+PJ114367	LLLKFYW 	C53H75N9O9	981.5688	NA	PeJP	NA	NA
+PJ114368	TTHRRRR 	C38H71N21O10	981.5693	NA	PeJP	NA	NA
+PJ114369	SPPLKERR 	C42H75N15O12	981.572	NA	PeJP	NA	NA
+PJ114370	PPLLLLMW 	C50H79N9O9S	981.5722	NA	PeJP	NA	NA
+PJ114371	GPVLLLLEE 	C46H79N9O14	981.5747	NA	PeJP	NA	NA
+PJ114372	SPPVLKRW 	C47H75N13O10	981.576	NA	PeJP	NA	NA
+PJ114373	VKMHRRR 	C40H75N19O8S	981.5767	NA	PeJP	NA	NA
+PJ114374	GCKKKKKY 	C44H79N13O10S	981.5794	NA	PeJP	NA	NA
+PJ114375	VKKKFFW 	C52H75N11O8	981.58	NA	PeJP	NA	NA
+PJ114376	SPPTLRRR 	C41H75N17O11	981.5832	NA	PeJP	NA	NA
+PJ114377	GPVLERRR 	C41H75N17O11	981.5833	NA	PeJP	NA	NA
+PJ114378	TTTLKKKY 	C45H79N11O13	981.5859	NA	PeJP	NA	NA
+PJ114379	AAPLLRRW 	C46H75N15O9	981.5873	NA	PeJP	NA	NA
+PJ114380	GLLLLKYY 	C50H79N9O11	981.5899	NA	PeJP	NA	NA
+PJ114381	PVLLLLEW 	C50H79N9O11	981.59	NA	PeJP	NA	NA
+PJ114382	PPVVKMRR 	C43H79N15O9S	981.5906	NA	PeJP	NA	NA
+PJ114383	SPPVLLLLM 	C47H83N9O11S	981.5933	NA	PeJP	NA	NA
+PJ114384	PLERRRR 	C40H75N19O10	981.5945	NA	PeJP	NA	NA
+PJ114385	PVLLQKER 	C44H79N13O12	981.5972	NA	PeJP	NA	NA
+PJ114386	PVLRRRW 	C45H75N17O8	981.5985	NA	PeJP	NA	NA
+PJ114387	PPTLLKKW 	C49H79N11O10	981.6012	NA	PeJP	NA	NA
+PJ114388	GPPVLLKKM 	C46H83N11O10S	981.6046	NA	PeJP	NA	NA
+PJ114389	PNKRRRR 	C39H75N21O9	981.6057	NA	PeJP	NA	NA
+PJ114390	APLLKERR 	C43H79N15O11	981.6084	NA	PeJP	NA	NA
+PJ114391	APTLLLLLE 	C47H83N9O13	981.6111	NA	PeJP	NA	NA
+PJ114392	GPLLLKRW 	C48H79N13O9	981.6124	NA	PeJP	NA	NA
+PJ114393	PPLLKKMR 	C45H83N13O9S	981.6158	NA	PeJP	NA	NA
+MJ099095	Prorocentrolide; 9,54-Dihydro 	C56H87NO13	981.617741	NA	MeJP	NA	NA
+PJ114394	APTLLRRR 	C42H79N17O10	981.6196	NA	PeJP	NA	NA
+PJ114395	AAPLLLKKE 	C46H83N11O12	981.6223	NA	PeJP	NA	NA
+PJ114396	KKKKKHW 	C47H79N15O8	981.6236	NA	PeJP	NA	NA
+PJ114397	GPPLLLLLF 	C51H83N9O10	981.6263	NA	PeJP	NA	NA
+PJ114398	GPLLLLLLM 	C48H87N9O10S	981.6297	NA	PeJP	NA	NA
+PJ114399	AAPKKRRR 	C41H79N19O9	981.6309	NA	PeJP	NA	NA
+PJ114400	PVLLKKER 	C45H83N13O11	981.6335	NA	PeJP	NA	NA
+PJ114401	PLLLDKKR 	C45H83N13O11	981.6336	NA	PeJP	NA	NA
+PJ114402	PVVLLKKW 	C50H83N11O9	981.6376	NA	PeJP	NA	NA
+PJ114403	SPLLLKRR 	C44H83N15O10	981.6448	NA	PeJP	NA	NA
+PJ114404	GVLLLLLLE 	C48H87N9O12	981.6475	NA	PeJP	NA	NA
+PJ114405	GVLLLRRR 	C43H83N17O9	981.656	NA	PeJP	NA	NA
+PJ114406	LLLLLLER 	C47H87N11O11	981.6587	NA	PeJP	NA	NA
+PJ114407	VLLLLLLW 	C52H87N9O9	981.6627	NA	PeJP	NA	NA
+PJ114408	LLLRRRR 	C42H83N19O8	981.6673	NA	PeJP	NA	NA
+PJ114409	VLLLLQKR 	C46H87N13O10	981.6699	NA	PeJP	NA	NA
+PJ114410	ALLLLKRR 	C45H87N15O9	981.6812	NA	PeJP	NA	NA
+PJ114411	ATLLLLLLL 	C49H91N9O11	981.6838	NA	PeJP	NA	NA
+PJ114412	SVVILLLLL 	C49H91N9O11	981.6839	NA	PeJP	NA	NA
+PJ114413	AALLLLLKK 	C48H91N11O10	981.6951	NA	PeJP	NA	NA
+PJ114414	VLLLLKKR 	C47H91N13O9	981.7063	NA	PeJP	NA	NA
+MJ099096	Sucrosofate 	C12H22O35S8	981.770727	NA	MeJP	NA	NA
+PJ114415	CCCCCCCNE 	C30H50N10O13S7	982.1604	NA	PeJP	NA	NA
+PJ114416	GCCCCCCCW 	C34H50N10O10S7	982.1757	NA	PeJP	NA	NA
+PJ114417	GSSCCCCCCD 	C30H50N10O15S6	982.1782	NA	PeJP	NA	NA
+PJ114418	SCCCCCCQM 	C31H54N10O12S7	982.1968	NA	PeJP	NA	NA
+PJ114419	SCCCCCCCR 	C30H54N12O11S7	982.208	NA	PeJP	NA	NA
+PJ114420	GCCCCCNDY 	C34H50N10O14S5	982.2112	NA	PeJP	NA	NA
+PJ114421	GSSSCCCCCM 	C31H54N10O14S6	982.2146	NA	PeJP	NA	NA
+PJ114422	GCCCCCNMF 	C35H54N10O11S6	982.2298	NA	PeJP	NA	NA
+PJ114423	SSSSTCCCCC 	C31H54N10O16S5	982.2323	NA	PeJP	NA	NA
+PJ114424	SCCCCCCKM 	C32H58N10O11S7	982.2332	NA	PeJP	NA	NA
+PJ114425	CCCDDMMY 	C36H54N8O14S5	982.2363	NA	PeJP	NA	NA
+PJ114426	GCCCCNDEH 	C33H50N12O15S4	982.2402	NA	PeJP	NA	NA
+PJ114427	CCCMMMMM 	C34H62N8O9S8	982.2406	NA	PeJP	NA	NA
+PJ114428	GCNDDDDDD 	C33H46N10O23S	982.2458	NA	PeJP	NA	NA
+PJ114429	GGGCDDDDDD 	C33H46N10O23S	982.2459	NA	PeJP	NA	NA
+PJ114430	GSCCCCNMY 	C35H54N10O13S5	982.2476	NA	PeJP	NA	NA
+PJ114431	CCCDDDFY 	C39H50N8O16S3	982.2507	NA	PeJP	NA	NA
+PJ114432	CCCDMMMF 	C37H58N8O11S6	982.255	NA	PeJP	NA	NA
+PJ114433	CCCCNDHW 	C37H50N12O12S4	982.2554	NA	PeJP	NA	NA
+PJ114434	GGCCCCDHW 	C37H50N12O12S4	982.2555	NA	PeJP	NA	NA
+PJ114435	SSCCCNDDH 	C33H50N12O17S3	982.2579	NA	PeJP	NA	NA
+PJ114436	GGSSCCCDDH 	C33H50N12O17S3	982.258	NA	PeJP	NA	NA
+PJ114437	SPCCCCCQH 	C34H54N12O12S5	982.2588	NA	PeJP	NA	NA
+PJ114438	SPCCNDDDD 	C34H50N10O20S2	982.2645	NA	PeJP	NA	NA
+PJ114439	SSSCCCCQY 	C35H54N10O15S4	982.2653	NA	PeJP	NA	NA
+PJ114440	GGPPCCCCDE 	C35H54N10O15S4	982.2654	NA	PeJP	NA	NA
+PJ114441	ACCCCCCKF 	C36H58N10O10S6	982.2662	NA	PeJP	NA	NA
+PJ114442	SCCDDDYY 	C39H50N8O18S2	982.2685	NA	PeJP	NA	NA
+PJ114443	PCCCCEYY 	C40H54N8O13S4	982.2694	NA	PeJP	NA	NA
+PJ114444	DDDDDEEM 	C35H50N8O23S	982.271	NA	PeJP	NA	NA
+PJ114445	SCCDMMMY 	C37H58N8O13S5	982.2727	NA	PeJP	NA	NA
+PJ114446	CCCCMHHF 	C38H54N12O9S5	982.2741	NA	PeJP	NA	NA
+MJ099097	Rubradirin; N-Deoxy 	C48H46N4O19	982.275625	NA	MeJP	NA	NA
+PJ114447	GCCNNNDDE 	C33H50N12O19S2	982.2757	NA	PeJP	NA	NA
+PJ114448	GSCCCNEMH 	C34H54N12O14S4	982.2766	NA	PeJP	NA	NA
+PJ114449	CCDDDEHF 	C38H50N10O17S2	982.2797	NA	PeJP	NA	NA
+PJ114450	GPPCCCCDW 	C39H54N10O12S4	982.2806	NA	PeJP	NA	NA
+PJ114451	GSNDDDDDM 	C34H50N10O22S	982.2822	NA	PeJP	NA	NA
+PJ114452	GSSSSSCCCY 	C35H54N10O17S3	982.2831	NA	PeJP	NA	NA
+PJ114453	GTCCCCCKY 	C36H58N10O12S5	982.284	NA	PeJP	NA	NA
+PJ114454	CCCDEHHH 	C36H50N14O13S3	982.2844	NA	PeJP	NA	NA
+PJ114455	GCCDEMYY 	C40H54N8O15S3	982.2871	NA	PeJP	NA	NA
+PJ114456	GSCCCCDHR 	C33H54N14O13S4	982.2878	NA	PeJP	NA	NA
+PJ114457	DDDDDDHH 	C36H46N12O21	982.2901	NA	PeJP	NA	NA
+PJ114458	CCNNNDDW 	C37H50N12O16S2	982.291	NA	PeJP	NA	NA
+PJ114459	ACCMMMMY 	C38H62N8O10S6	982.2914	NA	PeJP	NA	NA
+PJ114460	SCCCNMHW 	C38H54N12O11S4	982.2918	NA	PeJP	NA	NA
+PJ114461	SSCNNNDDD 	C33H50N12O21S	982.2934	NA	PeJP	NA	NA
+PJ114462	GGSSCNNDDD 	C33H50N12O21S	982.2935	NA	PeJP	NA	NA
+PJ114463	GPCCCDDDR 	C34H54N12O16S3	982.2943	NA	PeJP	NA	NA
+PJ114464	GGGGGGSPCCCE 	C34H54N12O16S3	982.2944	NA	PeJP	NA	NA
+PJ114465	CCNNMMMH 	C35H58N12O11S5	982.2952	NA	PeJP	NA	NA
+PJ114466	SCNDDDEW 	C38H50N10O19S	982.2975	NA	PeJP	NA	NA
+PJ114467	SCCCNQYY 	C39H54N10O14S3	982.2983	NA	PeJP	NA	NA
+PJ114468	PCCNDDMW 	C39H54N10O14S3	982.2984	NA	PeJP	NA	NA
+PJ114469	SSSNDDDDE 	C34H50N10O24	982.3	NA	PeJP	NA	NA
+PJ114470	NNDDDEMM 	C35H54N10O19S2	982.3009	NA	PeJP	NA	NA
+PJ114471	SSSCCCCKY 	C36H58N10O14S4	982.3017	NA	PeJP	NA	NA
+PJ114472	CCDMYYW 	C44H54N8O12S3	982.3024	NA	PeJP	NA	NA
+PJ114473	PCCMMMMH 	C37H62N10O9S6	982.3026	NA	PeJP	NA	NA
+PJ114474	PDDDDDEY 	C39H50N8O22	982.304	NA	PeJP	NA	NA
+PJ114475	SSCDDMYY 	C40H54N8O17S2	982.3049	NA	PeJP	NA	NA
+PJ114476	GCCNNNNNM 	C33H54N14O15S3	982.3056	NA	PeJP	NA	NA
+PJ114477	PTCCCMYY 	C41H58N8O12S4	982.3057	NA	PeJP	NA	NA
+PJ114478	CCCCQMHR 	C34H58N14O10S5	982.3064	NA	PeJP	NA	NA
+PJ114479	SDDEEEEM 	C36H54N8O22S	982.3074	NA	PeJP	NA	NA
+PJ114480	PDDDEMMM 	C37H58N8O17S3	982.3083	NA	PeJP	NA	NA
+PJ114481	SSCMMMMY 	C38H62N8O12S5	982.3091	NA	PeJP	NA	NA
+PJ114482	GSSTCCCHW 	C38H54N12O13S3	982.3096	NA	PeJP	NA	NA
+PJ114483	CNDDDDMR 	C34H54N12O18S2	982.3121	NA	PeJP	NA	NA
+PJ114484	GSCDDDWW 	C42H50N10O16S	982.3127	NA	PeJP	NA	NA
+PJ114485	ASSCCNMMH 	C35H58N12O13S4	982.3129	NA	PeJP	NA	NA
+PJ114486	SPPCCCCDR 	C35H58N12O13S4	982.313	NA	PeJP	NA	NA
+PJ114487	GPCCCEWW 	C43H54N10O11S3	982.3136	NA	PeJP	NA	NA
+PJ114488	GSSSDDDDW 	C38H50N10O21	982.3152	NA	PeJP	NA	NA
+PJ114489	GGNDDDDEF 	C38H50N10O21	982.3153	NA	PeJP	NA	NA
+PJ114490	GNDDDMMW 	C39H54N10O16S2	982.3161	NA	PeJP	NA	NA
+PJ114491	GSPPCCCMW 	C40H58N10O11S4	982.317	NA	PeJP	NA	NA
+PJ114492	CCCCCHRR 	C33H58N16O9S5	982.3177	NA	PeJP	NA	NA
+PJ114493	GSSNDDEEM 	C35H54N10O21S	982.3186	NA	PeJP	NA	NA
+PJ114494	GSPCNDEMM 	C36H58N10O16S3	982.3195	NA	PeJP	NA	NA
+PJ114495	CNNDDEHH 	C36H50N14O17S	982.32	NA	PeJP	NA	NA
+PJ114496	GPCCDYYY 	C44H54N8O14S2	982.3201	NA	PeJP	NA	NA
+PJ114497	GDMMMMMH 	C37H62N10O11S5	982.3204	NA	PeJP	NA	NA
+PJ114498	SCCEMHHH 	C37H54N14O12S3	982.3208	NA	PeJP	NA	NA
+PJ114499	CCMMFYW 	C45H58N8O9S4	982.321	NA	PeJP	NA	NA
+PJ114500	PDDDDEMF 	C40H54N8O19S	982.3226	NA	PeJP	NA	NA
+PJ114501	GSCCNNDDR 	C33H54N14O17S2	982.3233	NA	PeJP	NA	NA
+PJ114502	GGGGGGGGGGSTCC 	C33H54N14O17S2	982.3234	NA	PeJP	NA	NA
+PJ114503	GSCEMMYY 	C41H58N8O14S3	982.3235	NA	PeJP	NA	NA
+PJ114504	GSSCCCMHR 	C34H58N14O12S4	982.3242	NA	PeJP	NA	NA
+PJ114505	ACCMMMFF 	C42H62N8O9S5	982.3244	NA	PeJP	NA	NA
+PJ114506	GCCCQHFW 	C42H54N12O10S3	982.3248	NA	PeJP	NA	NA
+PJ114507	GGACCCHFW 	C42H54N12O10S3	982.3249	NA	PeJP	NA	NA
+PJ114508	GEEEEEMM 	C37H58N8O19S2	982.326	NA	PeJP	NA	NA
+PJ114509	NNNNDDDY 	C37H50N12O20	982.3265	NA	PeJP	NA	NA
+PJ114510	SSSSSCCHW 	C38H54N12O15S2	982.3273	NA	PeJP	NA	NA
+PJ114511	GCCDDERW 	C38H54N12O15S2	982.3274	NA	PeJP	NA	NA
+PJ114512	TCCCCKHW 	C39H58N12O10S4	982.3282	NA	PeJP	NA	NA
+PJ114513	PCCCWWW 	C47H54N10O8S3	982.3289	NA	PeJP	NA	NA
+PJ114514	ASSCDDDDR 	C34H54N12O20S	982.3298	NA	PeJP	NA	NA
+PJ114515	GSSCDDDER 	C34H54N12O20S	982.3299	NA	PeJP	NA	NA
+PJ114516	GNDDDDFW 	C42H50N10O18	982.3305	NA	PeJP	NA	NA
+PJ114517	GSPCCDDMR 	C35H58N12O15S3	982.3307	NA	PeJP	NA	NA
+PJ114518	CNDEMWW 	C43H54N10O13S2	982.3314	NA	PeJP	NA	NA
+PJ114519	APPCCCCMR 	C36H62N12O10S5	982.3316	NA	PeJP	NA	NA
+MJ099098	Premcoryoside 	C45H58O24	982.331802	NA	MeJP	NA	NA
+PJ114520	SSNDDEMW 	C39H54N10O18S	982.3339	NA	PeJP	NA	NA
+PJ114521	SPCNDMMW 	C40H58N10O13S3	982.3347	NA	PeJP	NA	NA
+PJ114522	GGGPPCCDMF 	C40H58N10O13S3	982.3348	NA	PeJP	NA	NA
+PJ114523	GCNDDHHW 	C40H50N14O14S	982.3352	NA	PeJP	NA	NA
+PJ114524	CCDFFYW 	C48H54N8O11S2	982.3354	NA	PeJP	NA	NA
+PJ114525	PCCCHHHF 	C41H54N14O9S3	982.3361	NA	PeJP	NA	NA
+PJ114526	SSSSNDEEE 	C35H54N10O23	982.3364	NA	PeJP	NA	NA
+PJ114527	SNNEEEMM 	C36H58N10O18S2	982.3372	NA	PeJP	NA	NA
+PJ114528	GGGGSEEEMM 	C36H58N10O18S2	982.3373	NA	PeJP	NA	NA
+PJ114529	GSSNDDDHH 	C36H50N14O19	982.3377	NA	PeJP	NA	NA
+PJ114530	NDDMYYY 	C44H54N8O16S	982.3379	NA	PeJP	NA	NA
+PJ114531	SSEMMMMH 	C37H62N10O13S4	982.3381	NA	PeJP	NA	NA
+PJ114532	GSPCCNEHH 	C37H54N14O14S2	982.3386	NA	PeJP	NA	NA
+PJ114533	SCMMYYW 	C45H58N8O11S3	982.3387	NA	PeJP	NA	NA
+PJ114534	PTCCCFFY 	C45H58N8O11S3	982.3388	NA	PeJP	NA	NA
+PJ114535	GCMMMHHH 	C38H58N14O9S4	982.3395	NA	PeJP	NA	NA
+PJ114536	SPDDEEEY 	C40H54N8O21	982.3404	NA	PeJP	NA	NA
+PJ114537	GSSSSCNNNN 	C33H54N14O19S	982.3411	NA	PeJP	NA	NA
+PJ114538	SSSDMMYY 	C41H58N8O16S2	982.3412	NA	PeJP	NA	NA
+PJ114539	EEEEMMW 	C41H58N8O16S2	982.3413	NA	PeJP	NA	NA
+PJ114540	SSSTCCCHR 	C34H58N14O14S3	982.3419	NA	PeJP	NA	NA
+PJ114541	GGGGCCNEMR 	C34H58N14O14S3	982.342	NA	PeJP	NA	NA
+PJ114542	NMMMMYY 	C42H62N8O11S4	982.3421	NA	PeJP	NA	NA
+PJ114543	CCDDRWW 	C42H54N12O12S2	982.3426	NA	PeJP	NA	NA
+PJ114544	CCCCKMHR 	C35H62N14O9S5	982.3428	NA	PeJP	NA	NA
+PJ114545	STEEEEEM 	C37H58N8O21S	982.3438	NA	PeJP	NA	NA
+PJ114546	SPEEEMMM 	C38H62N8O16S3	982.3446	NA	PeJP	NA	NA
+PJ114547	SSCDDDRW 	C38H54N12O17S	982.3451	NA	PeJP	NA	NA
+PJ114548	PPDMMMMM 	C39H66N8O11S5	982.3455	NA	PeJP	NA	NA
+PJ114549	SPCCCERW 	C39H58N12O12S3	982.346	NA	PeJP	NA	NA
+PJ114550	GCDMWWW 	C47H54N10O10S2	982.3466	NA	PeJP	NA	NA
+PJ114551	SSSSDDDDR 	C34H54N12O22	982.3476	NA	PeJP	NA	NA
+PJ114552	SNDDDMMR 	C35H58N12O17S2	982.3485	NA	PeJP	NA	NA
+HMDB06627	Sialyl Lex tetra	C37H62N2O28	982.348938	NA	HMDB2010	NA	NA
+HMDB06633	Sialyl Lea tetra	C37H62N2O28	982.348938	NA	HMDB2010	NA	NA
+HMDB06627	Sialyl Lex tetra	C37H62N2O28	982.34894	http://www.hmdb.ca/metabolites/HMDB06627	HMDB	NA	NA
+HMDB06633	Sialyl Lea tetra	C37H62N2O28	982.34894	http://www.hmdb.ca/metabolites/HMDB06633	HMDB	NA	NA
+HMDB06627	Sialyl Lex tetra	C37H62N2O28	982.34894	HMDB06627	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06633	Sialyl Lea tetra	C37H62N2O28	982.34894	HMDB06633	PFEM_hmdb_metabocards_official	NA	NA
+PJ114553	GSSDDMWW 	C43H54N10O15S	982.3491	NA	PeJP	NA	NA
+PJ114554	PCCNEMMR 	C36H62N12O12S4	982.3493	NA	PeJP	NA	NA
+PJ114555	GGPCCEMMR 	C36H62N12O12S4	982.3494	NA	PeJP	NA	NA
+PJ114556	CNNNNMHH 	C36H54N16O13S2	982.3498	NA	PeJP	NA	NA
+PJ114557	GPTCCMWW 	C44H58N10O10S3	982.35	NA	PeJP	NA	NA
+PJ114558	GSSSSDEEW 	C39H54N10O20	982.3516	NA	PeJP	NA	NA
+PJ114559	GSNEEMMW 	C40H58N10O15S2	982.3525	NA	PeJP	NA	NA
+PJ114560	GCEYYYW 	C48H54N8O13S	982.3531	NA	PeJP	NA	NA
+PJ114561	CCCNNDRR 	C33H58N16O13S3	982.3532	NA	PeJP	NA	NA
+PJ114562	GPCQMMMW 	C41H62N10O10S4	982.3534	NA	PeJP	NA	NA
+PJ114563	SPCCNHHW 	C41H54N14O11S2	982.3538	NA	PeJP	NA	NA
+PJ114564	CCMFFFW 	C49H58N8O8S3	982.354	NA	PeJP	NA	NA
+PJ114565	GSSSQEEEM 	C36H58N10O20S	982.355	NA	PeJP	NA	NA
+PJ114566	GSSDEYYY 	C44H54N8O18	982.3556	NA	PeJP	NA	NA
+PJ114567	DEEEEFW 	C44H54N8O18	982.3557	NA	PeJP	NA	NA
+PJ114568	GQQEEMMM 	C37H62N10O15S3	982.3559	NA	PeJP	NA	NA
+PJ114569	CNNNNNQY 	C37H54N14O16S	982.3563	NA	PeJP	NA	NA
+PJ114570	GGGGGGGGCNQY 	C37H54N14O16S	982.3564	NA	PeJP	NA	NA
+PJ114571	GSPCMYYY 	C45H58N8O13S2	982.3565	NA	PeJP	NA	NA
+PJ114572	ATMMMMMH 	C38H66N10O10S5	982.3567	NA	PeJP	NA	NA
+PJ114573	GCCNNMRW 	C38H58N14O11S3	982.3572	NA	PeJP	NA	NA
+PJ114574	GPEEEEMY 	C41H58N8O18S	982.359	NA	PeJP	NA	NA
+PJ114575	SCCDDERR 	C34H58N14O16S2	982.3597	NA	PeJP	NA	NA
+PJ114576	GSTMMMYY 	C42H62N8O13S3	982.3599	NA	PeJP	NA	NA
+PJ114577	SSSCNNWW 	C42H54N12O14S	982.3603	NA	PeJP	NA	NA
+PJ114578	GGSSSCNWW 	C42H54N12O14S	982.3604	NA	PeJP	NA	NA
+PJ114579	PCCCDMRR 	C35H62N14O11S4	982.3606	NA	PeJP	NA	NA
+PJ114580	GCCCKHFW 	C43H58N12O9S3	982.3612	NA	PeJP	NA	NA
+PJ114581	SVEEEEMM 	C38H62N8O18S2	982.3624	NA	PeJP	NA	NA
+PJ114582	SSSSSNNDW 	C38H54N12O19	982.3628	NA	PeJP	NA	NA
+PJ114583	GGGGSSSSSDW 	C38H54N12O19	982.3629	NA	PeJP	NA	NA
+PJ114584	PVDEMMMM 	C39H66N8O13S4	982.3633	NA	PeJP	NA	NA
+PJ114585	GSCDEMRW 	C39H58N12O14S2	982.3637	NA	PeJP	NA	NA
+PJ114586	GGGGGGGAPCMY 	C39H58N12O14S2	982.3638	NA	PeJP	NA	NA
+PJ114587	GDDEHHHH 	C39H50N16O15	982.3642	NA	PeJP	NA	NA
+PJ114588	SSCEWWW 	C47H54N10O12S	982.3644	NA	PeJP	NA	NA
+PJ114589	GPCCMMRW 	C40H62N12O9S4	982.3646	NA	PeJP	NA	NA
+PJ114590	GSSSDDEMR 	C35H58N12O19S	982.3662	NA	PeJP	NA	NA
+PJ114591	SSSSDEWW 	C43H54N10O17	982.3669	NA	PeJP	NA	NA
+PJ114592	GNDEMMMR 	C36H62N12O14S3	982.3671	NA	PeJP	NA	NA
+PJ114593	SCNDDHHR 	C36H54N16O15S	982.3676	NA	PeJP	NA	NA
+PJ114594	SNEMMWW 	C44H58N10O12S2	982.3677	NA	PeJP	NA	NA
+PJ114595	GGSEMMWW 	C44H58N10O12S2	982.3678	NA	PeJP	NA	NA
+PJ114596	CCCKKMMH 	C37H66N12O9S5	982.368	NA	PeJP	NA	NA
+PJ114597	CYYYWW 	C52H54N8O10S	982.3684	NA	PeJP	NA	NA
+PJ114598	GAPCCCHHR 	C37H58N16O10S3	982.3685	NA	PeJP	NA	NA
+PJ114599	SSSQEEMW 	C40H58N10O17S	982.3702	NA	PeJP	NA	NA
+PJ114600	GGSSTEEMW 	C40H58N10O17S	982.3703	NA	PeJP	NA	NA
+PJ114601	SSDYYYW 	C48H54N8O15	982.3709	NA	PeJP	NA	NA
+PJ114602	QQEMMMW 	C41H62N10O12S3	982.3711	NA	PeJP	NA	NA
+PJ114603	GSNDMHHW 	C41H54N14O13S	982.3716	NA	PeJP	NA	NA
+PJ114604	ACMFYYW 	C49H58N8O10S2	982.3718	NA	PeJP	NA	NA
+PJ114605	SSSSTQEEE 	C36H58N10O22	982.3727	NA	PeJP	NA	NA
+PJ114606	GGSSSTTEEE 	C36H58N10O22	982.3728	NA	PeJP	NA	NA
+PJ114607	SNDKEEMM 	C37H62N10O17S2	982.3736	NA	PeJP	NA	NA
+PJ114608	GSSNNNNNY 	C37H54N14O18	982.3741	NA	PeJP	NA	NA
+PJ114609	PEEEMYW 	C45H58N8O15S	982.3743	NA	PeJP	NA	NA
+PJ114610	TTTMMMMH 	C38H66N10O12S4	982.3745	NA	PeJP	NA	NA
+PJ114611	SSCCNQRW 	C38H58N14O13S2	982.3749	NA	PeJP	NA	NA
+PJ114612	GGSSCCQRW 	C38H58N14O13S2	982.375	NA	PeJP	NA	NA
+PJ114613	NMMMFFY 	C46H62N8O10S3	982.3751	NA	PeJP	NA	NA
+PJ114614	CNNNFWW 	C46H54N12O11S	982.3756	NA	PeJP	NA	NA
+PJ114615	GVEEEEEY 	C41H58N8O20	982.3768	NA	PeJP	NA	NA
+PJ114616	SSSSCNNER 	C34H58N14O18S	982.3774	NA	PeJP	NA	NA
+PJ114617	GGSSSSCNER 	C34H58N14O18S	982.3775	NA	PeJP	NA	NA
+PJ114618	SSTTMMYY 	C42H62N8O15S2	982.3776	NA	PeJP	NA	NA
+PJ114619	APEEEMMF 	C42H62N8O15S2	982.3777	NA	PeJP	NA	NA
+PJ114620	NDDDRYW 	C42H54N12O16	982.3781	NA	PeJP	NA	NA
+PJ114621	GCDDMMRR 	C35H62N14O13S3	982.3783	NA	PeJP	NA	NA
+PJ114622	GGGGGGTCMMR 	C35H62N14O13S3	982.3784	NA	PeJP	NA	NA
+PJ114623	SCDMRWW 	C43H58N12O11S2	982.379	NA	PeJP	NA	NA
+PJ114624	DDHHHHW 	C43H50N16O12	982.3795	NA	PeJP	NA	NA
+PJ114625	ALEEEMMM 	C39H66N8O15S3	982.381	NA	PeJP	NA	NA
+PJ114626	SSSDDMRW 	C39H58N12O16S	982.3815	NA	PeJP	NA	NA
+PJ114627	GNEEYWW 	C47H54N10O14	982.3821	NA	PeJP	NA	NA
+PJ114628	NDMMMRW 	C40H62N12O11S3	982.3823	NA	PeJP	NA	NA
+PJ114629	GGDMMMRW 	C40H62N12O11S3	982.3824	NA	PeJP	NA	NA
+PJ114630	SPCEHHHH 	C40H54N16O12S	982.3828	NA	PeJP	NA	NA
+PJ114631	GSMMWWW 	C48H58N10O9S2	982.383	NA	PeJP	NA	NA
+PJ114632	SSSSSDEER 	C35H58N12O21	982.384	NA	PeJP	NA	NA
+PJ114633	SSPTTCCER 	C36H62N12O16S2	982.3848	NA	PeJP	NA	NA
+PJ114634	SSNEEMMR 	C36H62N12O16S2	982.3849	NA	PeJP	NA	NA
+PJ114635	SSSSNNNHH 	C36H54N16O17	982.3853	NA	PeJP	NA	NA
+PJ114636	GGGGGGGGNQEH 	C36H54N16O17	982.3854	NA	PeJP	NA	NA
+PJ114637	GSSTEMWW 	C44H58N10O14S	982.3855	NA	PeJP	NA	NA
+PJ114638	SPCQMMMR 	C37H66N12O11S4	982.3857	NA	PeJP	NA	NA
+PJ114639	GCNEMHHR 	C37H58N16O12S2	982.3862	NA	PeJP	NA	NA
+PJ114640	AQMMMWW 	C45H62N10O9S3	982.3864	NA	PeJP	NA	NA
+PJ114641	SCQHHWW 	C45H54N14O10S	982.3868	NA	PeJP	NA	NA
+PJ114642	GGTCHHWW 	C45H54N14O10S	982.3869	NA	PeJP	NA	NA
+PJ114643	GSSSTTEEW 	C40H58N10O19	982.388	NA	PeJP	NA	NA
+PJ114644	GSDKEMMW 	C41H62N10O14S2	982.3889	NA	PeJP	NA	NA
+PJ114645	SSSNEHHW 	C41H54N14O15	982.3893	NA	PeJP	NA	NA
+PJ114646	GGSSSEHHW 	C41H54N14O15	982.3894	NA	PeJP	NA	NA
+PJ114647	GTMYYYW 	C49H58N8O12S	982.3895	NA	PeJP	NA	NA
+PJ114648	SCCNNMRR 	C34H62N16O12S3	982.3896	NA	PeJP	NA	NA
+PJ114649	GPCKMMMW 	C42H66N10O9S4	982.3898	NA	PeJP	NA	NA
+PJ114650	NQMMHHW 	C42H58N14O10S2	982.3902	NA	PeJP	NA	NA
+PJ114651	GSSSKEEEM 	C37H62N10O19S	982.3914	NA	PeJP	NA	NA
+PJ114652	VEEEEYW 	C45H58N8O17	982.392	NA	PeJP	NA	NA
+PJ114653	GQKEEMMM 	C38H66N10O14S3	982.3922	NA	PeJP	NA	NA
+PJ114654	GGAKEEMMM 	C38H66N10O14S3	982.3923	NA	PeJP	NA	NA
+PJ114655	GSSSSCNRW 	C38H58N14O15S	982.3927	NA	PeJP	NA	NA
+PJ114656	GGGGGGGAPEMH 	C38H58N14O15S	982.3928	NA	PeJP	NA	NA
+PJ114657	VNMMYYY 	C46H62N8O12S2	982.3929	NA	PeJP	NA	NA
+PJ114658	SNNNYWW 	C46H54N12O13	982.3934	NA	PeJP	NA	NA
+PJ114659	CCEMRRW 	C39H62N14O10S3	982.3936	NA	PeJP	NA	NA
+PJ114660	GNNMHHHH 	C39H54N18O11S	982.3941	NA	PeJP	NA	NA
+PJ114661	GSSSSSSNDR 	C34H58N14O20	982.3952	NA	PeJP	NA	NA
+PJ114662	SPVEEEMY 	C42H62N8O17S	982.3954	NA	PeJP	NA	NA
+PJ114663	SSCDEMRR 	C35H62N14O15S2	982.3961	NA	PeJP	NA	NA
+PJ114664	PPVDMMMY 	C43H66N8O12S3	982.3963	NA	PeJP	NA	NA
+PJ114665	GSPCDRYW 	C43H58N12O13S	982.3967	NA	PeJP	NA	NA
+PJ114666	GGGGGAQMYW 	C43H58N12O13S	982.3968	NA	PeJP	NA	NA
+PJ114667	SPCCMMRR 	C36H66N14O10S4	982.397	NA	PeJP	NA	NA
+PJ114668	NEYWWW 	C51H54N10O11	982.3974	NA	PeJP	NA	NA
+PJ114669	ACMMRWW 	C44H62N12O8S3	982.3976	NA	PeJP	NA	NA
+PJ114670	TTLEEEMM 	C39H66N8O17S2	982.3988	NA	PeJP	NA	NA
+PJ114671	SSSSSSQQW 	C39H58N12O18	982.3992	NA	PeJP	NA	NA
+PJ114672	GGGSEEERY 	C39H58N12O18	982.3993	NA	PeJP	NA	NA
+PJ114673	PTLEMMMM 	C40H70N8O12S4	982.3996	NA	PeJP	NA	NA
+PJ114674	GSSEMMRW 	C40H62N12O13S2	982.4001	NA	PeJP	NA	NA
+PJ114675	GNNNNQHW 	C40H54N16O14	982.4006	NA	PeJP	NA	NA
+PJ114676	SSTMWWW 	C48H58N10O11S	982.4007	NA	PeJP	NA	NA
+PJ114677	TTTCWWW 	C48H58N10O11S	982.4008	NA	PeJP	NA	NA
+PJ114678	MMMMHFR 	C41H66N12O8S4	982.401	NA	PeJP	NA	NA
+PJ114679	CNMHHRW 	C41H58N16O9S2	982.4015	NA	PeJP	NA	NA
+PJ114680	GSSSTEEMR 	C36H62N12O18S	982.4026	NA	PeJP	NA	NA
+PJ114681	SSSTTEWW 	C44H58N10O16	982.4033	NA	PeJP	NA	NA
+PJ114682	GTQEMMMR 	C37H66N12O13S3	982.4035	NA	PeJP	NA	NA
+PJ114683	SSCQEHHR 	C37H58N16O14S	982.4039	NA	PeJP	NA	NA
+PJ114684	SSNDMHHR 	C37H58N16O14S	982.404	NA	PeJP	NA	NA
+PJ114685	SDKMMWW 	C45H62N10O11S2	982.4041	NA	PeJP	NA	NA
+PJ114686	GGGAPPCMFF 	C45H62N10O11S2	982.4042	NA	PeJP	NA	NA
+MJ099099	Olivomycin D 	C47H66O22	982.404573	NA	MeJP	NA	NA
+PJ114687	GSSSHHWW 	C45H54N14O12	982.4046	NA	PeJP	NA	NA
+PJ114688	ACFFFYW 	C53H58N8O9S	982.4048	NA	PeJP	NA	NA
+PJ114689	SSSKEEMW 	C41H62N10O16S	982.4066	NA	PeJP	NA	NA
+PJ114690	GGGGALEEMY 	C41H62N10O16S	982.4067	NA	PeJP	NA	NA
+PJ114691	STTYYYW 	C49H58N8O14	982.4073	NA	PeJP	NA	NA
+PJ114692	QKEMMMW 	C42H66N10O11S3	982.4075	NA	PeJP	NA	NA
+PJ114693	CNNQRYW 	C42H58N14O12S	982.408	NA	PeJP	NA	NA
+PJ114694	NMMFFFF 	C50H62N8O9S2	982.4082	NA	PeJP	NA	NA
+PJ114695	GPDHWWW 	C50H54N12O10	982.4086	NA	PeJP	NA	NA
+PJ114696	SSSSTKEEE 	C37H62N10O21	982.4091	NA	PeJP	NA	NA
+PJ114697	STQKEEMM 	C38H66N10O16S2	982.41	NA	PeJP	NA	NA
+PJ114698	GSDDDRRY 	C38H58N14O17	982.4105	NA	PeJP	NA	NA
+PJ114699	SKEMYYY 	C46H62N8O14S	982.4106	NA	PeJP	NA	NA
+PJ114700	LEEEMFW 	C46H62N8O14S	982.4107	NA	PeJP	NA	NA
+PJ114701	SPQKMMMM 	C39H70N10O11S4	982.4109	NA	PeJP	NA	NA
+PJ114702	SSCCNKRW 	C39H62N14O12S2	982.4113	NA	PeJP	NA	NA
+PJ114703	GGSSCCKRW 	C39H62N14O12S2	982.4114	NA	PeJP	NA	NA
+PJ114704	SSNQHHHH 	C39H54N18O13	982.4118	NA	PeJP	NA	NA
+PJ114705	GGGGGGGGPHHH 	C39H54N18O13	982.4119	NA	PeJP	NA	NA
+PJ114706	GCEFRWW 	C47H58N12O10S	982.412	NA	PeJP	NA	NA
+PJ114707	GYWWWW 	C55H54N10O8	982.4126	NA	PeJP	NA	NA
+PJ114708	ATLEEEEY 	C42H62N8O19	982.4132	NA	PeJP	NA	NA
+PJ114709	SSSSSNQMR 	C35H62N14O17S	982.4138	NA	PeJP	NA	NA
+PJ114710	GGGGSSSSTMR 	C35H62N14O17S	982.4139	NA	PeJP	NA	NA
+PJ114711	APLEEMMY 	C43H66N8O14S2	982.414	NA	PeJP	NA	NA
+PJ114712	SNEERYW 	C43H58N12O15	982.4145	NA	PeJP	NA	NA
+PJ114713	GSDMMMRR 	C36H66N14O12S3	982.4147	NA	PeJP	NA	NA
+PJ114714	PPVMMMMF 	C44H70N8O9S4	982.4149	NA	PeJP	NA	NA
+PJ114715	SSMMRWW 	C44H62N12O10S2	982.4154	NA	PeJP	NA	NA
+PJ114716	TEHHHHW 	C44H54N16O11	982.4158	NA	PeJP	NA	NA
+PJ114717	GPDHHHHF 	C44H54N16O11	982.4159	NA	PeJP	NA	NA
+PJ114718	QMFWWW 	C52H58N10O8S	982.416	NA	PeJP	NA	NA
+PJ114719	SLLEEMMM 	C40H70N8O14S3	982.4174	NA	PeJP	NA	NA
+PJ114720	SSSTEMRW 	C40H62N12O15S	982.4179	NA	PeJP	NA	NA
+PJ114721	PVLMMMMM 	C41H74N8O9S5	982.4183	NA	PeJP	NA	NA
+PJ114722	GDKEYWW 	C48H58N10O13	982.4185	NA	PeJP	NA	NA
+PJ114723	TQMMMRW 	C41H66N12O10S3	982.4187	NA	PeJP	NA	NA
+PJ114724	GGACCKKMW 	C41H66N12O10S3	982.4188	NA	PeJP	NA	NA
+PJ114725	GSTCHHRW 	C41H58N16O11S	982.4192	NA	PeJP	NA	NA
+PJ114726	CLMHFFW 	C49H62N10O8S2	982.4194	NA	PeJP	NA	NA
+PJ114727	GNHHFWW 	C49H54N14O9	982.4199	NA	PeJP	NA	NA
+PJ114728	ASSSSSTTQQ 	C36H62N12O20	982.4203	NA	PeJP	NA	NA
+PJ114729	SSSSTTEER 	C36H62N12O20	982.4204	NA	PeJP	NA	NA
+PJ114730	SSDKEMMR 	C37H66N12O15S2	982.4212	NA	PeJP	NA	NA
+PJ114731	GGGGGSTTKMM 	C37H66N12O15S2	982.4213	NA	PeJP	NA	NA
+PJ114732	GSSSSEHHR 	C37H58N16O16	982.4217	NA	PeJP	NA	NA
+PJ114733	GGGGGGGGGGGSLH 	C37H58N16O16	982.4218	NA	PeJP	NA	NA
+PJ114734	SSSSLMWW 	C45H62N10O13S	982.4219	NA	PeJP	NA	NA
+PJ114735	GVQMMMMR 	C38H70N12O10S4	982.4221	NA	PeJP	NA	NA
+PJ114736	AAFYYYW 	C53H58N8O11	982.4225	NA	PeJP	NA	NA
+PJ114737	GCCNQFRR 	C38H62N16O11S2	982.4226	NA	PeJP	NA	NA
+PJ114738	AKMMMWW 	C46H66N10O8S3	982.4228	NA	PeJP	NA	NA
+PJ114739	SCKHHWW 	C46H58N14O9S	982.4232	NA	PeJP	NA	NA
+PJ114740	SSSSSTLEW 	C41H62N10O18	982.4244	NA	PeJP	NA	NA
+PJ114741	SSSSSCNRR 	C34H62N16O16S	982.4251	NA	PeJP	NA	NA
+PJ114742	GTTKEMMW 	C42H66N10O13S2	982.4253	NA	PeJP	NA	NA
+PJ114743	GSSNNRYW 	C42H58N14O14	982.4257	NA	PeJP	NA	NA
+PJ114744	GGGGGVQEHW 	C42H58N14O14	982.4258	NA	PeJP	NA	NA
+PJ114745	PCKFYYY 	C50H62N8O11S	982.4259	NA	PeJP	NA	NA
+PJ114746	SCCCQKRR 	C35H66N16O11S3	982.426	NA	PeJP	NA	NA
+PJ114747	PCCRRYW 	C43H62N14O9S2	982.4266	NA	PeJP	NA	NA
+PJ114748	CFRWWW 	C51H58N12O7S	982.4273	NA	PeJP	NA	NA
+PJ114749	ATTTTTQEM 	C38H66N10O18S	982.4277	NA	PeJP	NA	NA
+PJ114750	GSTTTKEEM 	C38H66N10O18S	982.4278	NA	PeJP	NA	NA
+PJ114751	SSSTLYYY 	C46H62N8O16	982.4284	NA	PeJP	NA	NA
+PJ114752	GKKEEMMM 	C39H70N10O13S3	982.4286	NA	PeJP	NA	NA
+PJ114753	NDEMRRY 	C39H62N14O14S	982.4291	NA	PeJP	NA	NA
+PJ114754	CLKMYYY 	C47H66N8O11S2	982.4293	NA	PeJP	NA	NA
+PJ114755	ASDRYWW 	C47H58N12O12	982.4297	NA	PeJP	NA	NA
+PJ114756	GSERYWW 	C47H58N12O12	982.4298	NA	PeJP	NA	NA
+PJ114757	TCMMRRW 	C40H66N14O9S3	982.43	NA	PeJP	NA	NA
+PJ114758	EMHHHHR 	C40H58N18O10S	982.4305	NA	PeJP	NA	NA
+PJ114759	GSSSSSSTQR 	C35H62N14O19	982.4316	NA	PeJP	NA	NA
+PJ114760	GLLEEEMY 	C43H66N8O16S	982.4318	NA	PeJP	NA	NA
+PJ114761	SSSEMMRR 	C36H66N14O14S2	982.4325	NA	PeJP	NA	NA
+PJ114762	PPTLMMMY 	C44H70N8O11S3	982.4327	NA	PeJP	NA	NA
+PJ114763	SNNNNQHR 	C36H58N18O15	982.4329	NA	PeJP	NA	NA
+PJ114764	GNNDDHRR 	C36H58N18O15	982.433	NA	PeJP	NA	NA
+PJ114765	AQEMRYW 	C44H62N12O12S	982.4331	NA	PeJP	NA	NA
+PJ114766	GGGGGAPPPMW 	C44H62N12O12S	982.4332	NA	PeJP	NA	NA
+PJ114767	QMMMMRR 	C37H70N14O9S4	982.4333	NA	PeJP	NA	NA
+PJ114768	GAMMMMRR 	C37H70N14O9S4	982.4334	NA	PeJP	NA	NA
+PJ114769	DKYWWW 	C52H58N10O10	982.4338	NA	PeJP	NA	NA
+PJ114770	VMHHHHW 	C45H58N16O8S	982.4345	NA	PeJP	NA	NA
+PJ114771	SSSSSSQKW 	C40H62N12O17	982.4356	NA	PeJP	NA	NA
+PJ114772	GGGGVLEEEH 	C40H62N12O17	982.4357	NA	PeJP	NA	NA
+PJ114773	VVLEMMMM 	C41H74N8O11S4	982.436	NA	PeJP	NA	NA
+PJ114774	GTTTMMRW 	C41H66N12O12S2	982.4365	NA	PeJP	NA	NA
+PJ114775	SSSSHHRW 	C41H58N16O13	982.437	NA	PeJP	NA	NA
+PJ114776	GLQMYWW 	C49H62N10O10S	982.4371	NA	PeJP	NA	NA
+PJ114777	GGALMYWW 	C49H62N10O10S	982.4372	NA	PeJP	NA	NA
+PJ114778	AAHHHHHH 	C42H54N20O9	982.4383	NA	PeJP	NA	NA
+PJ114779	SSSSSLEMR 	C37H66N12O17S	982.439	NA	PeJP	NA	NA
+PJ114780	STTTTTWW 	C45H62N10O15	982.4396	NA	PeJP	NA	NA
+PJ114781	GATKEEYW 	C45H62N10O15	982.4397	NA	PeJP	NA	NA
+PJ114782	GTKEMMMR 	C38H70N12O12S3	982.4399	NA	PeJP	NA	NA
+PJ114783	CDDRRRY 	C38H62N16O13S	982.4403	NA	PeJP	NA	NA
+PJ114784	GGGGGTCRRY 	C38H62N16O13S	982.4404	NA	PeJP	NA	NA
+PJ114785	TTKMMWW 	C46H66N10O10S2	982.4405	NA	PeJP	NA	NA
+PJ114786	SPDHRWW 	C46H58N14O11	982.441	NA	PeJP	NA	NA
+PJ114787	STTTKEMW 	C42H66N10O15S	982.443	NA	PeJP	NA	NA
+PJ114788	PLEEFYW 	C50H62N8O13	982.4437	NA	PeJP	NA	NA
+PJ114789	KKEMMMW 	C43H70N10O10S3	982.4439	NA	PeJP	NA	NA
+PJ114790	GDMRRYW 	C43H62N14O11S	982.4444	NA	PeJP	NA	NA
+PJ114791	CMMMRRR 	C36H70N16O8S4	982.4446	NA	PeJP	NA	NA
+PJ114792	SRYWWW 	C51H58N12O9	982.445	NA	PeJP	NA	NA
+PJ114793	SSTTTTKEE 	C38H66N10O20	982.4455	NA	PeJP	NA	NA
+PJ114794	STKKEEMM 	C39H70N10O15S2	982.4464	NA	PeJP	NA	NA
+PJ114795	SSSQQQRY 	C39H62N14O16	982.4468	NA	PeJP	NA	NA
+PJ114796	GSSEERRY 	C39H62N14O16	982.4469	NA	PeJP	NA	NA
+PJ114797	LLEEMYW 	C47H66N8O13S	982.447	NA	PeJP	NA	NA
+PJ114798	APLEEMFF 	C47H66N8O13S	982.4471	NA	PeJP	NA	NA
+PJ114799	SPKKMMMM 	C40H74N10O10S4	982.4473	NA	PeJP	NA	NA
+PJ114800	GPTCMRRY 	C40H66N14O11S2	982.4477	NA	PeJP	NA	NA
+PJ114801	GGGGACKMFR 	C40H66N14O11S2	982.4478	NA	PeJP	NA	NA
+PJ114802	GPNEHHHR 	C40H58N18O12	982.4482	NA	PeJP	NA	NA
+PJ114803	AAMRYWW 	C48H62N12O9S	982.4484	NA	PeJP	NA	NA
+PJ114804	STLLEEEY 	C43H66N8O18	982.4495	NA	PeJP	NA	NA
+PJ114805	SSSSSNKMR 	C36H66N14O16S	982.4502	NA	PeJP	NA	NA
+PJ114806	SPLLEMMY 	C44H70N8O13S2	982.4504	NA	PeJP	NA	NA
+PJ114807	SDKERYW 	C44H62N12O14	982.4509	NA	PeJP	NA	NA
+PJ114808	GTTMMMRR 	C37H70N14O11S3	982.4511	NA	PeJP	NA	NA
+PJ114809	SSTCHHRR 	C37H62N18O12S	982.4516	NA	PeJP	NA	NA
+PJ114810	PCKMRYW 	C45H66N12O9S2	982.4518	NA	PeJP	NA	NA
+PJ114811	GNQHRWW 	C45H58N16O10	982.4522	NA	PeJP	NA	NA
+PJ114812	KMFWWW 	C53H62N10O7S	982.4524	NA	PeJP	NA	NA
+PJ114813	STTTTMRW 	C41H66N12O14S	982.4542	NA	PeJP	NA	NA
+PJ114814	ASSSSCKKW 	C41H66N12O14S	982.4543	NA	PeJP	NA	NA
+PJ114815	ATKEYWW 	C49H62N10O12	982.4549	NA	PeJP	NA	NA
+PJ114816	TKMMMRW 	C42H70N12O9S3	982.4551	NA	PeJP	NA	NA
+PJ114817	PCEHRRW 	C42H62N16O10S	982.4556	NA	PeJP	NA	NA
+MJ099100	Antibiotic PA 46101A 	C52H70O18	982.456215	NA	MeJP	NA	NA
+PJ114818	SSTTTTTER 	C37H66N12O19	982.4567	NA	PeJP	NA	NA
+PJ114819	GSSSSSSKKE 	C37H66N12O19	982.4568	NA	PeJP	NA	NA
+PJ114820	STTKEMMR 	C38H70N12O14S2	982.4576	NA	PeJP	NA	NA
+PJ114821	SSSNNRRY 	C38H62N16O15	982.4581	NA	PeJP	NA	NA
+PJ114822	VQKEMYW 	C46H66N10O12S	982.4583	NA	PeJP	NA	NA
+PJ114823	GVKMMMMR 	C39H74N12O9S4	982.4585	NA	PeJP	NA	NA
+PJ114824	VNFFFFY 	C54H62N8O10	982.4589	NA	PeJP	NA	NA
+PJ114825	CDMFRRR 	C39H66N16O10S2	982.459	NA	PeJP	NA	NA
+PJ114826	APMHRWW 	C47H62N14O8S	982.4596	NA	PeJP	NA	NA
+PJ114827	SSSTTTTLW 	C42H66N10O17	982.4608	NA	PeJP	NA	NA
+PJ114828	SSTLKMMW 	C43H70N10O12S2	982.4616	NA	PeJP	NA	NA
+PJ114829	GPKKEMMY 	C43H70N10O12S2	982.4617	NA	PeJP	NA	NA
+PJ114830	SSERRYW 	C43H62N14O13	982.4621	NA	PeJP	NA	NA
+PJ114831	GGGGGGGGPPKW 	C43H62N14O13	982.4622	NA	PeJP	NA	NA
+PJ114832	CLKFFYY 	C51H66N8O10S	982.4623	NA	PeJP	NA	NA
+PJ114833	GMMFRRW 	C44H66N14O8S2	982.463	NA	PeJP	NA	NA
+PJ114834	PNHHHRW 	C44H58N18O9	982.4635	NA	PeJP	NA	NA
+PJ114835	SSSTTLKEM 	C39H70N10O17S	982.4641	NA	PeJP	NA	NA
+PJ114836	GPLLEEYY 	C47H66N8O15	982.4648	NA	PeJP	NA	NA
+PJ114837	SVKKEMMM 	C40H74N10O12S3	982.465	NA	PeJP	NA	NA
+PJ114838	TQEMRRY 	C40H66N14O13S	982.4655	NA	PeJP	NA	NA
+PJ114839	PPVVMMFY 	C48H70N8O10S2	982.4657	NA	PeJP	NA	NA
+PJ114840	ATTRYWW 	C48H62N12O11	982.4661	NA	PeJP	NA	NA
+PJ114841	GGVLEHWW 	C48H62N12O11	982.4662	NA	PeJP	NA	NA
+PJ114842	CQHHFRR 	C41H62N18O9S	982.4668	NA	PeJP	NA	NA
+PJ114843	GSSSSSSTKR 	C36H66N14O18	982.468	NA	PeJP	NA	NA
+PJ114844	SVLLEEMY 	C44H70N8O15S	982.4682	NA	PeJP	NA	NA
+PJ114845	STTTMMRR 	C37H70N14O13S2	982.4689	NA	PeJP	NA	NA
+PJ114846	PVVLMMMY 	C45H74N8O10S3	982.469	NA	PeJP	NA	NA
+PJ114847	DDEHRRR 	C37H62N18O14	982.4693	NA	PeJP	NA	NA
+PJ114848	GGGGGTEHRR 	C37H62N18O14	982.4694	NA	PeJP	NA	NA
+PJ114849	AKEMRYW 	C45H66N12O11S	982.4695	NA	PeJP	NA	NA
+PJ114850	KMMMMRR 	C38H74N14O8S4	982.4697	NA	PeJP	NA	NA
+PJ114851	GPKFYWW 	C53H62N10O9	982.4702	NA	PeJP	NA	NA
+PJ114852	SSSSSSKKW 	C41H66N12O16	982.472	NA	PeJP	NA	NA
+PJ114853	TLLLMMMM 	C42H78N8O10S4	982.4724	NA	PeJP	NA	NA
+PJ114854	STCCKKKW 	C42H70N12O11S2	982.4729	NA	PeJP	NA	NA
+PJ114855	TQQQHRW 	C42H62N16O12	982.4733	NA	PeJP	NA	NA
+PJ114856	AEEHRRW 	C42H62N16O12	982.4734	NA	PeJP	NA	NA
+PJ114857	GLKMYWW 	C50H66N10O9S	982.4735	NA	PeJP	NA	NA
+PJ114858	SSSTTTLMR 	C38H70N12O16S	982.4754	NA	PeJP	NA	NA
+PJ114859	TKKEEYW 	C46H66N10O14	982.476	NA	PeJP	NA	NA
+PJ114860	AAAPPLEEW 	C46H66N10O14	982.4761	NA	PeJP	NA	NA
+PJ114861	SSLKMMMR 	C39H74N12O11S3	982.4763	NA	PeJP	NA	NA
+PJ114862	SDMRRRY 	C39H66N16O12S	982.4767	NA	PeJP	NA	NA
+PJ114863	GGGGGAALMHR 	C39H66N16O12S	982.4768	NA	PeJP	NA	NA
+PJ114864	PKKMMYW 	C47H70N10O9S2	982.4769	NA	PeJP	NA	NA
+PJ114865	GLEHRWW 	C47H62N14O10	982.4774	NA	PeJP	NA	NA
+PJ114866	GVKKEEMY 	C43H70N10O14S	982.4794	NA	PeJP	NA	NA
+PJ114867	ALKYYYY 	C51H66N8O12	982.48	NA	PeJP	NA	NA
+PJ114868	PLLEYYW 	C51H66N8O12	982.4801	NA	PeJP	NA	NA
+PJ114869	APKKMMMF 	C44H74N10O9S3	982.4803	NA	PeJP	NA	NA
+PJ114870	ATMRRYW 	C44H66N14O10S	982.4807	NA	PeJP	NA	NA
+MJ099101	Urechistachykinin II 	C44H66N14O10S	982.480705	NA	MeJP	NA	NA
+PJ114871	PKEMHRW 	C44H66N14O10S	982.4808	NA	PeJP	NA	NA
+PJ114872	GVLHWWW 	C52H62N12O8	982.4814	NA	PeJP	NA	NA
+PJ114873	TTTTTTTKE 	C39H70N10O19	982.4819	NA	PeJP	NA	NA
+PJ114874	SSSSLLKMM 	C40H74N10O14S2	982.4828	NA	PeJP	NA	NA
+PJ114875	GTTTERRY 	C40H66N14O15	982.4832	NA	PeJP	NA	NA
+PJ114876	GGGGSTTKRY 	C40H66N14O15	982.4833	NA	PeJP	NA	NA
+PJ114877	SPPLLMYY 	C48H70N8O12S	982.4834	NA	PeJP	NA	NA
+PJ114878	VCLKKMMM 	C41H78N10O9S4	982.4836	NA	PeJP	NA	NA
+PJ114879	ALKKMMMM 	C41H78N10O9S4	982.4837	NA	PeJP	NA	NA
+PJ114880	VQMMRRY 	C41H70N14O10S2	982.4841	NA	PeJP	NA	NA
+PJ114881	SNQHRRW 	C41H62N18O11	982.4846	NA	PeJP	NA	NA
+PJ114882	PVKMHWW 	C49H66N12O8S	982.4848	NA	PeJP	NA	NA
+PJ114883	SSSSTCKKR 	C37H70N14O15S	982.4866	NA	PeJP	NA	NA
+PJ114884	ALLLEMMY 	C45H74N8O12S2	982.4868	NA	PeJP	NA	NA
+PJ114885	TTKERYW 	C45H66N12O13	982.4873	NA	PeJP	NA	NA
+PJ114886	SCCKKKMR 	C38H74N14O10S3	982.4875	NA	PeJP	NA	NA
+PJ114887	QQQMHRR 	C38H66N18O11S	982.488	NA	PeJP	NA	NA
+PJ114888	CLKMFRW 	C46H70N12O8S2	982.4881	NA	PeJP	NA	NA
+PJ114889	GNKHRWW 	C46H62N16O9	982.4886	NA	PeJP	NA	NA
+PJ114890	KKEEMRY 	C42H70N12O13S	982.4906	NA	PeJP	NA	NA
+PJ114891	GGGAATKKMY 	C42H70N12O13S	982.4907	NA	PeJP	NA	NA
+PJ114892	STLKYWW 	C50H66N10O11	982.4913	NA	PeJP	NA	NA
+PJ114893	PTMHRRW 	C43H66N16O9S	982.492	NA	PeJP	NA	NA
+PJ114894	LHRWWW 	C51H62N14O7	982.4926	NA	PeJP	NA	NA
+PJ114895	TTTTTTTTR 	C38H70N12O18	982.4931	NA	PeJP	NA	NA
+PJ114896	GSSSKKKMM 	C39H74N12O13S2	982.494	NA	PeJP	NA	NA
+PJ114897	KEEEHRR 	C39H66N16O14	982.4945	NA	PeJP	NA	NA
+PJ114898	VKKEMYW 	C47H70N10O11S	982.4947	NA	PeJP	NA	NA
+PJ114899	TKFFFFF 	C55H66N8O9	982.4953	NA	PeJP	NA	NA
+PJ114900	AMMRRRY 	C40H70N16O9S2	982.4954	NA	PeJP	NA	NA
+PJ114901	GSPHHHRR 	C40H62N20O10	982.4958	NA	PeJP	NA	NA
+PJ114902	GSTTTLLQY 	C43H70N10O16	982.4971	NA	PeJP	NA	NA
+PJ114903	SSLKKEEY 	C43H70N10O16	982.4972	NA	PeJP	NA	NA
+PJ114904	SPVKKMMY 	C44H74N10O11S2	982.498	NA	PeJP	NA	NA
+PJ114905	GGAPPPLLMM 	C44H74N10O11S2	982.4981	NA	PeJP	NA	NA
+PJ114906	TTTRRYW 	C44H66N14O12	982.4985	NA	PeJP	NA	NA
+PJ114907	PPVVMFFF 	C52H70N8O9S	982.4987	NA	PeJP	NA	NA
+PJ114908	NNMHRRR 	C37H66N20O10S	982.4992	NA	PeJP	NA	NA
+PJ114909	LHHHHFR 	C45H62N18O8	982.4999	NA	PeJP	NA	NA
+PJ114910	STTTTTLKM 	C40H74N10O16S	982.5005	NA	PeJP	NA	NA
+PJ114911	SPVLLEYY 	C48H70N8O14	982.5012	NA	PeJP	NA	NA
+PJ114912	TTLKKMMM 	C41H78N10O11S3	982.5014	NA	PeJP	NA	NA
+PJ114913	TKEMRRY 	C41H70N14O12S	982.5019	NA	PeJP	NA	NA
+PJ114914	PVVLMMFF 	C49H74N8O9S2	982.5021	NA	PeJP	NA	NA
+PJ114915	PPLERWW 	C49H66N12O10	982.5025	NA	PeJP	NA	NA
+PJ114916	CKHHFRR 	C42H66N18O8S	982.5032	NA	PeJP	NA	NA
+PJ114917	TTLLLEMY 	C45H74N8O14S	982.5046	NA	PeJP	NA	NA
+PJ114918	VVLLMMMF 	C46H78N8O9S3	982.5054	NA	PeJP	NA	NA
+PJ114919	TEEHRRR 	C38H66N18O13	982.5057	NA	PeJP	NA	NA
+PJ114920	GGGGGGGGPVRR 	C38H66N18O13	982.5058	NA	PeJP	NA	NA
+PJ114921	SLKMRYW 	C46H70N12O10S	982.5059	NA	PeJP	NA	NA
+PJ114922	PPVLWWW 	C54H66N10O8	982.5066	NA	PeJP	NA	NA
+PJ114923	SSTLKERY 	C42H70N12O15	982.5084	NA	PeJP	NA	NA
+PJ114924	AALKMMRY 	C43H74N12O10S2	982.5093	NA	PeJP	NA	NA
+PJ114925	SLEHRRW 	C43H66N16O11	982.5097	NA	PeJP	NA	NA
+PJ114926	GGGPPTRRW 	C43H66N16O11	982.5098	NA	PeJP	NA	NA
+PJ114927	PKKMFFW 	C51H70N10O8S	982.5099	NA	PeJP	NA	NA
+PJ114928	SSSSTKKKM 	C39H74N12O15S	982.5118	NA	PeJP	NA	NA
+PJ114929	SSSLLKYW 	C47H70N10O13	982.5124	NA	PeJP	NA	NA
+PJ114930	SCKKKKMM 	C40H78N12O10S3	982.5126	NA	PeJP	NA	NA
+PJ114931	TTMRRRY 	C40H70N16O11S	982.5131	NA	PeJP	NA	NA
+PJ114932	LKKMMFW 	C48H74N10O8S2	982.5133	NA	PeJP	NA	NA
+C08937	Colubrinoside	C50H78O19	982.5137	NA	KEGG	NA	NA
+MJ099102	3,21-Dihydroxy-12-oleanen-28-oic acid; 3?-form, 21-Ketone, 28-O-[?-L-rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C50H78O19	982.51373	NA	MeJP	NA	NA
+MJ099103	Jujubogenin; 3-O-[?-D-Xylopyranosyl-(1?2)-3-O-acetyl-?-D-glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside] 	C50H78O19	982.51373	NA	MeJP	NA	NA
+PJ114933	SVLHRWW 	C48H66N14O9	982.5138	NA	PeJP	NA	NA
+PJ114934	ATLKKEMY 	C44H74N10O13S	982.5158	NA	PeJP	NA	NA
+PJ114935	LLLEFYW 	C52H70N8O11	982.5164	NA	PeJP	NA	NA
+PJ114936	APLLEFFF 	C52H70N8O11	982.5165	NA	PeJP	NA	NA
+PJ114937	GSSQHRRR 	C37H66N20O12	982.517	NA	PeJP	NA	NA
+PJ114938	LLQMHRW 	C45H70N14O9S	982.5171	NA	PeJP	NA	NA
+PJ114939	SSTTLRRY 	C41H70N14O14	982.5196	NA	PeJP	NA	NA
+PJ114940	GGGGPLLQER 	C41H70N14O14	982.5197	NA	PeJP	NA	NA
+PJ114941	APLLLMYY 	C49H74N8O11S	982.5198	NA	PeJP	NA	NA
+PJ114942	VKMMRRY 	C42H74N14O9S2	982.5205	NA	PeJP	NA	NA
+PJ114943	SNKHRRW 	C42H66N18O10	982.521	NA	PeJP	NA	NA
+PJ114944	SLLLLMMY 	C46H78N8O11S2	982.5232	NA	PeJP	NA	NA
+PJ114945	SPPLQQKW 	C46H70N12O12	982.5236	NA	PeJP	NA	NA
+PJ114946	GSSKKKYW 	C46H70N12O12	982.5237	NA	PeJP	NA	NA
+PJ114947	QQKMHRR 	C39H70N18O10S	982.5243	NA	PeJP	NA	NA
+PJ114948	VEMHRRR 	C39H70N18O10S	982.5244	NA	PeJP	NA	NA
+PJ114949	FRRRYW 	C47H66N16O8	982.525	NA	PeJP	NA	NA
+PJ114950	ATTLKMRY 	C43H74N12O12S	982.527	NA	PeJP	NA	NA
+PJ114951	GGGGGPPLLKM 	C43H74N12O12S	982.5271	NA	PeJP	NA	NA
+PJ114952	APPTLLWW 	C51H70N10O10	982.5277	NA	PeJP	NA	NA
+PJ114953	VVMHRRW 	C44H70N16O8S	982.5284	NA	PeJP	NA	NA
+PJ114954	ATTLEHRR 	C40H70N16O13	982.5309	NA	PeJP	NA	NA
+PJ114955	PPVLLQMW 	C48H74N10O10S	982.5311	NA	PeJP	NA	NA
+2829	PEP inhibitor	APPTPPPLPP	982.532	NA	Inhouse_peptide	NA	peptide
+PJ114956	LQHHHRR 	C41H66N20O9	982.5322	NA	PeJP	NA	NA
+PJ114957	TTTLKKEY 	C44H74N10O15	982.5335	NA	PeJP	NA	NA
+PJ114958	GPPTLLKEE 	C44H74N10O15	982.5336	NA	PeJP	NA	NA
+PJ114959	GLLKKMMY 	C45H78N10O10S2	982.5344	NA	PeJP	NA	NA
+PJ114960	GTTLLHRW 	C45H70N14O11	982.5349	NA	PeJP	NA	NA
+PJ114961	CQKHRRR 	C38H70N20O9S	982.5356	NA	PeJP	NA	NA
+PJ114962	GLLLLEYY 	C49H74N8O13	982.5376	NA	PeJP	NA	NA
+PJ114963	GTCKKKRY 	C42H74N14O11S	982.5383	NA	PeJP	NA	NA
+PJ114964	TLLKHWW 	C50H70N12O9	982.5389	NA	PeJP	NA	NA
+PJ114965	AAPQERRR 	C39H70N18O12	982.5421	NA	PeJP	NA	NA
+PJ114966	CKKKKYW 	C47H74N12O9S	982.5423	NA	PeJP	NA	NA
+PJ114967	TTTTLKRY 	C43H74N12O14	982.5448	NA	PeJP	NA	NA
+PJ114968	ACKKKKMF 	C44H78N12O9S2	982.5457	NA	PeJP	NA	NA
+PJ114969	GSPPKRRW 	C44H70N16O10	982.5461	NA	PeJP	NA	NA
+PJ114970	PPTLLKEW 	C48H74N10O12	982.5488	NA	PeJP	NA	NA
+PJ114971	GTLLMHRR 	C41H74N16O10S	982.5495	NA	PeJP	NA	NA
+MJ099104	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H82O18	982.550115	NA	MeJP	NA	NA
+MJ099105	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-oleandropyranoside] 	C51H82O18	982.550115	NA	MeJP	NA	NA
+MJ099106	3,12,14,17-Tetrahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H82O18	982.550115	NA	MeJP	NA	NA
+MJ099107	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-L-Arabinopyranosyl-(1?4)-6-O-butyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C51H82O18	982.550115	NA	MeJP	NA	NA
+PJ114972	AKKKHWW 	C49H70N14O8	982.5502	NA	PeJP	NA	NA
+PJ114973	STLLKKMY 	C45H78N10O12S	982.5522	NA	PeJP	NA	NA
+PJ114974	LLLLYYW 	C53H74N8O10	982.5528	NA	PeJP	NA	NA
+PJ114975	PNERRRR 	C38H70N20O11	982.5533	NA	PeJP	NA	NA
+PJ114976	GGPERRRR 	C38H70N20O11	982.5534	NA	PeJP	NA	NA
+PJ114977	LLKMHRW 	C46H74N14O8S	982.5535	NA	PeJP	NA	NA
+PJ114978	SSSKKKRY 	C42H74N14O13	982.556	NA	PeJP	NA	NA
+PJ114979	GGGGGGGPVLKK 	C42H74N14O13	982.5561	NA	PeJP	NA	NA
+PJ114980	ALLLLMFY 	C50H78N8O10S	982.5562	NA	PeJP	NA	NA
+PJ114981	PVNRRRW 	C43H70N18O9	982.5574	NA	PeJP	NA	NA
+PJ114982	PPTTLLRW 	C47H74N12O11	982.56	NA	PeJP	NA	NA
+PJ114983	GPLLLERW 	C47H74N12O11	982.5601	NA	PeJP	NA	NA
+PJ114984	APPCKRRR 	C40H74N18O9S	982.5607	NA	PeJP	NA	NA
+PJ114985	GTKKKKMY 	C44H78N12O11S	982.5634	NA	PeJP	NA	NA
+PJ114986	GPVLLLWW 	C52H74N10O9	982.5641	NA	PeJP	NA	NA
+PJ114987	STTILHRR 	C41H74N16O12	982.5672	NA	PeJP	NA	NA
+PJ114988	STTLLHRR 	C41H74N16O12	982.5673	NA	PeJP	NA	NA
+PJ114989	PPVLLKMW 	C49H78N10O9S	982.5674	NA	PeJP	NA	NA
+PJ114990	GPRRRRW 	C42H70N20O8	982.5686	NA	PeJP	NA	NA
+PJ114991	AAPLLLKEE 	C45H78N10O14	982.5699	NA	PeJP	NA	NA
+PJ114992	GPVVLLKEE 	C45H78N10O14	982.57	NA	PeJP	NA	NA
+PJ114993	LLLLLMMH 	C46H82N10O9S2	982.5708	NA	PeJP	NA	NA
+PJ114994	APPTKKRW 	C46H74N14O10	982.5713	NA	PeJP	NA	NA
+PJ114995	CKKHRRR 	C39H74N20O8S	982.572	NA	PeJP	NA	NA
+PJ114996	SVLLLLYY 	C50H78N8O12	982.574	NA	PeJP	NA	NA
+PJ114997	PPTILMRR 	C43H78N14O10S	982.5746	NA	PeJP	NA	NA
+PJ114998	PPTLLMRR 	C43H78N14O10S	982.5747	NA	PeJP	NA	NA
+PJ114999	PLLLRWW 	C51H74N12O8	982.5753	NA	PeJP	NA	NA
+PJ115000	AAPKERRR 	C40H74N18O11	982.5785	NA	PeJP	NA	NA
+PJ115001	STTKKKKY 	C44H78N12O13	982.5812	NA	PeJP	NA	NA
+PJ115002	PLQKRRW 	C45H74N16O9	982.5825	NA	PeJP	NA	NA
+PJ115003	PVVLLKEW 	C49H78N10O11	982.5852	NA	PeJP	NA	NA
+PJ115004	APPKKMRR 	C42H78N16O9S	982.5859	NA	PeJP	NA	NA
+PJ115005	APPTLLLKM 	C46H82N10O11S	982.5886	NA	PeJP	NA	NA
+PJ115006	ALLLLFFF 	C54H78N8O9	982.5892	NA	PeJP	NA	NA
+PJ115007	PDKRRRR 	C39H74N20O10	982.5897	NA	PeJP	NA	NA
+PJ115008	SPLLLERR 	C43H78N14O12	982.5924	NA	PeJP	NA	NA
+PJ115009	VLHFRRR 	C44H74N18O8	982.5938	NA	PeJP	NA	NA
+PJ115010	SPVLLLRW 	C48H78N12O10	982.5964	NA	PeJP	NA	NA
+PJ115011	KKKMHRR 	C41H78N18O8S	982.5971	NA	PeJP	NA	NA
+MJ099108	Foromacidin A; 4''-(3-Methylbutanoyl), 3-propanoyl 	C51H86N2O16	982.597734	NA	MeJP	NA	NA
+PJ115012	PLLLLQMR 	C45H82N12O10S	982.5998	NA	PeJP	NA	NA
+PJ115013	SPRRRRR 	C38H74N22O9	982.601	NA	PeJP	NA	NA
+PJ115014	APVKKERR 	C42H78N16O11	982.6036	NA	PeJP	NA	NA
+PJ115015	GPLKKERR 	C42H78N16O11	982.6037	NA	PeJP	NA	NA
+PJ115016	GPTLLLLKE 	C46H82N10O13	982.6063	NA	PeJP	NA	NA
+PJ115017	GPVLKKRW 	C47H78N14O9	982.6077	NA	PeJP	NA	NA
+PJ115018	PVVLLMRR 	C44H82N14O9S	982.611	NA	PeJP	NA	NA
+PJ115019	GPTLKRRR 	C41H78N18O10	982.6149	NA	PeJP	NA	NA
+PJ115020	VLLLLQER 	C45H82N12O12	982.6176	NA	PeJP	NA	NA
+PJ115021	PLKKRRW 	C46H78N16O8	982.6189	NA	PeJP	NA	NA
+PJ115022	PTLLLLKW 	C50H82N10O10	982.6216	NA	PeJP	NA	NA
+PJ115023	GPVLLLLKM 	C47H86N10O10S	982.625	NA	PeJP	NA	NA
+PJ115024	VLQRRRR 	C40H78N20O9	982.6261	NA	PeJP	NA	NA
+PJ115025	ALLLLERR 	C44H82N14O11	982.6288	NA	PeJP	NA	NA
+PJ115026	GLLLLLRW 	C49H82N12O9	982.6328	NA	PeJP	NA	NA
+PJ115027	PLLLLKMR 	C46H86N12O9S	982.6362	NA	PeJP	NA	NA
+PJ115028	ALRRRRR 	C39H78N22O8	982.6373	NA	PeJP	NA	NA
+PJ115029	SPVLKKRR 	C43H82N16O10	982.64	NA	PeJP	NA	NA
+PJ115030	AALLLLLKE 	C47H86N10O12	982.6427	NA	PeJP	NA	NA
+PJ115031	AALLKRRR 	C42H82N18O9	982.6513	NA	PeJP	NA	NA
+PJ115032	VLLLLKER 	C46H86N12O11	982.6539	NA	PeJP	NA	NA
+PJ115033	GSVLLLLLR 	C46H86N12O11	982.654	NA	PeJP	NA	NA
+PJ115034	VVLLLLKW 	C51H86N10O9	982.658	NA	PeJP	NA	NA
+PJ115035	VLKRRRR 	C41H82N20O8	982.6625	NA	PeJP	NA	NA
+PJ115036	SLLLLLRR 	C45H86N14O10	982.6652	NA	PeJP	NA	NA
+PJ115037	GLLLKKRR 	C44H86N16O9	982.6764	NA	PeJP	NA	NA
+PJ115038	GTLLLLLLK 	C48H90N10O11	982.6791	NA	PeJP	NA	NA
+PJ115039	LLLLQKKK 	C47H90N12O10	982.6903	NA	PeJP	NA	NA
+PJ115040	VVLLKKKR 	C46H90N14O9	982.7016	NA	PeJP	NA	NA
+MJ099109	Zeaxanthin; 3-O-[15-Methylhexadecanoyl-(?6)-?-D-glucopyranoside] 	C63H98O8	982.72617	NA	MeJP	NA	NA
+C15958	Thermozeaxanthin-17	C63H98O8	982.7262	NA	KEGG	NA	NA
+PJ115041	LLLLKKKK 	C48H94N12O9	982.7267	NA	PeJP	NA	NA
+2815	PEP inhibitor	MTPPPLPARVDFSLAGALN	983.0091	MH2+	Inhouse_peptide	NA	peptide
+PJ115042	CCCCCCCDE 	C30H49N9O14S7	983.1444	NA	PeJP	NA	NA
+PJ115043	SCCCCCCEM 	C31H53N9O13S7	983.1808	NA	PeJP	NA	NA
+PJ115044	GCCCCCDDY 	C34H49N9O15S5	983.1952	NA	PeJP	NA	NA
+PJ115045	PCCCCCCCF 	C35H53N9O10S7	983.1961	NA	PeJP	NA	NA
+PJ115046	GCCCCCMMM 	C32H57N9O10S8	983.1995	NA	PeJP	NA	NA
+PJ115047	SPCCCCCCY 	C35H53N9O12S6	983.2138	NA	PeJP	NA	NA
+PJ115048	STCCCCCMM 	C32H57N9O12S7	983.2172	NA	PeJP	NA	NA
+PJ115049	GCCCCDDEH 	C33H49N11O16S4	983.2242	NA	PeJP	NA	NA
+PJ115050	GCDDDDDDD 	C33H45N9O24S	983.2299	NA	PeJP	NA	NA
+PJ115051	GSCCCCDMY 	C35H53N9O14S5	983.2316	NA	PeJP	NA	NA
+PJ115052	CCCCDDHW 	C37H49N11O13S4	983.2395	NA	PeJP	NA	NA
+PJ115053	SSCCCDDDH 	C33H49N11O18S3	983.242	NA	PeJP	NA	NA
+PJ115054	SPCCCCCEH 	C34H53N11O13S5	983.2428	NA	PeJP	NA	NA
+PJ115055	TCCCCCYW 	C39H53N9O11S5	983.2468	NA	PeJP	NA	NA
+PJ115056	SPCCDDDDD 	C34H49N9O21S2	983.2485	NA	PeJP	NA	NA
+PJ115057	SSSCCCCEY 	C35H53N9O16S4	983.2493	NA	PeJP	NA	NA
+PJ115058	PPCCCCDDE 	C35H53N9O16S4	983.2494	NA	PeJP	NA	NA
+PJ115059	CCCCQMMY 	C36H57N9O11S6	983.2502	NA	PeJP	NA	NA
+PJ115060	GCCCCNNMH 	C33H53N13O12S5	983.2541	NA	PeJP	NA	NA
+PJ115061	GCCNNDDDE 	C33H49N11O20S2	983.2597	NA	PeJP	NA	NA
+PJ115062	GSCCCDEMH 	C34H53N11O15S4	983.2606	NA	PeJP	NA	NA
+PJ115063	CCCCCMRY 	C35H57N11O10S6	983.2615	NA	PeJP	NA	NA
+PJ115064	CCCCNEFY 	C39H53N9O13S4	983.2646	NA	PeJP	NA	NA
+PJ115065	GSCDDDDEE 	C34H49N9O23S	983.2662	NA	PeJP	NA	NA
+PJ115066	GSDDDDDDM 	C34H49N9O23S	983.2663	NA	PeJP	NA	NA
+PJ115067	GPCCDDDEM 	C35H53N9O18S3	983.2671	NA	PeJP	NA	NA
+PJ115068	GSSCCCMMY 	C36H57N9O13S5	983.268	NA	PeJP	NA	NA
+PJ115069	SSCCCCNQH 	C33H53N13O14S4	983.2718	NA	PeJP	NA	NA
+PJ115070	GGGGGGGGPCCCC 	C33H53N13O14S4	983.2719	NA	PeJP	NA	NA
+PJ115071	CCNNDDDW 	C37H49N11O17S2	983.275	NA	PeJP	NA	NA
+PJ115072	SCCCDMHW 	C38H53N11O12S4	983.2758	NA	PeJP	NA	NA
+PJ115073	GPCCCCDHF 	C38H53N11O12S4	983.2759	NA	PeJP	NA	NA
+PJ115074	SSCNNDDDD 	C33H49N11O22S	983.2775	NA	PeJP	NA	NA
+PJ115075	SSSCCDDMH 	C34H53N11O17S3	983.2783	NA	PeJP	NA	NA
+PJ115076	GGSPCCCNDE 	C34H53N11O17S3	983.2784	NA	PeJP	NA	NA
+PJ115077	CCNDMMMH 	C35H57N11O12S5	983.2792	NA	PeJP	NA	NA
+PJ115078	GCCCCFYW 	C43H53N9O10S4	983.2799	NA	PeJP	NA	NA
+PJ115079	SCDDDDEW 	C38H49N9O20S	983.2815	NA	PeJP	NA	NA
+PJ115080	PCCDDDMW 	C39H53N9O15S3	983.2824	NA	PeJP	NA	NA
+PJ115081	CCCCQMFF 	C40H57N9O10S5	983.2832	NA	PeJP	NA	NA
+PJ115082	SSSDDDDDE 	C34H49N9O25	983.284	NA	PeJP	NA	NA
+PJ115083	NDDDDEMM 	C35H53N9O20S2	983.2849	NA	PeJP	NA	NA
+PJ115084	SSSTCCCMY 	C36H57N9O15S4	983.2857	NA	PeJP	NA	NA
+PJ115085	CCCCKMMY 	C37H61N9O10S6	983.2866	NA	PeJP	NA	NA
+PJ115086	GSSSSCCCNH 	C33H53N13O16S3	983.2896	NA	PeJP	NA	NA
+PJ115087	ACCCCCNKH 	C34H57N13O11S5	983.2904	NA	PeJP	NA	NA
+PJ115088	CCCCEMHR 	C34H57N13O11S5	983.2905	NA	PeJP	NA	NA
+PJ115089	GSPCCCNDW 	C38H53N11O14S3	983.2936	NA	PeJP	NA	NA
+PJ115090	ACCCMMHW 	C39H57N11O9S5	983.2945	NA	PeJP	NA	NA
+PJ115091	CDDDDDMR 	C34H53N11O19S2	983.2961	NA	PeJP	NA	NA
+PJ115092	GSSCCEMMH 	C35H57N11O14S4	983.297	NA	PeJP	NA	NA
+PJ115093	GSCCCYYW 	C43H53N9O12S3	983.2976	NA	PeJP	NA	NA
+PJ115094	CCCNMHHH 	C36H53N15O10S4	983.2983	NA	PeJP	NA	NA
+PJ115095	NDDDDDEF 	C38H49N9O22	983.2993	NA	PeJP	NA	NA
+PJ115096	GDDDDMMW 	C39H53N9O17S2	983.3001	NA	PeJP	NA	NA
+PJ115097	GCCNMMYY 	C40H57N9O12S4	983.301	NA	PeJP	NA	NA
+PJ115098	GSSDDDEEM 	C35H53N9O22S	983.3026	NA	PeJP	NA	NA
+PJ115099	GSPCDDEMM 	C36H57N9O17S3	983.3035	NA	PeJP	NA	NA
+PJ115100	CNDDDEHH 	C36H49N13O18S	983.304	NA	PeJP	NA	NA
+PJ115101	GPPCCDMMM 	C37H61N9O12S5	983.3044	NA	PeJP	NA	NA
+PJ115102	CCCNNNQW 	C37H53N13O13S3	983.3048	NA	PeJP	NA	NA
+PJ115103	GGGGGGCCCQW 	C37H53N13O13S3	983.3049	NA	PeJP	NA	NA
+PJ115104	GSCCNDDDR 	C33H53N13O18S2	983.3073	NA	PeJP	NA	NA
+PJ115105	GGGSCCDDDR 	C33H53N13O18S2	983.3074	NA	PeJP	NA	NA
+PJ115106	GPCCCCNER 	C34H57N13O13S4	983.3082	NA	PeJP	NA	NA
+PJ115107	GCCCEHFW 	C42H53N11O11S3	983.3089	NA	PeJP	NA	NA
+PJ115108	NNNDDDDY 	C37H49N11O21	983.3105	NA	PeJP	NA	NA
+MetaCyc04359	glycoprotein-phospho-D-mannose []	C34H58N5O26P1	983.310764	NA	metacyc	NA	NA
+PJ115109	SCNNDDMW 	C38H53N11O16S2	983.3114	NA	PeJP	NA	NA
+PJ115110	SSCCMMHW 	C39H57N11O11S4	983.3122	NA	PeJP	NA	NA
+PJ115111	SSSCNNDEE 	C34H53N11O21S	983.3138	NA	PeJP	NA	NA
+PJ115112	SSSNNDDDM 	C34H53N11O21S	983.3139	NA	PeJP	NA	NA
+PJ115113	GDDDDDFW 	C42H49N9O19	983.3145	NA	PeJP	NA	NA
+PJ115114	SSSSCDMMH 	C35H57N11O16S3	983.3147	NA	PeJP	NA	NA
+PJ115115	GGGGGGDDMMM 	C35H57N11O16S3	983.3148	NA	PeJP	NA	NA
+PJ115116	CDDEMWW 	C43H53N9O14S2	983.3154	NA	PeJP	NA	NA
+PJ115117	SCNMMMMH 	C36H61N11O11S5	983.3156	NA	PeJP	NA	NA
+PJ115118	GSTCCCHHH 	C36H53N15O12S3	983.3161	NA	PeJP	NA	NA
+PJ115119	SSDDDEMW 	C39H53N9O19S	983.3179	NA	PeJP	NA	NA
+PJ115120	SSCCQMYY 	C40H57N9O14S3	983.3187	NA	PeJP	NA	NA
+PJ115121	SPCDDMMW 	C40H57N9O14S3	983.3188	NA	PeJP	NA	NA
+PJ115122	GCDDDHHW 	C40H49N13O15S	983.3192	NA	PeJP	NA	NA
+PJ115123	CCCCKMFF 	C41H61N9O9S5	983.3196	NA	PeJP	NA	NA
+PJ115124	SSSSDDEEE 	C35H53N9O24	983.3204	NA	PeJP	NA	NA
+PJ115125	SSSPDDDMM 	C36H57N9O19S2	983.3212	NA	PeJP	NA	NA
+PJ115126	SNDEEEMM 	C36H57N9O19S2	983.3213	NA	PeJP	NA	NA
+PJ115127	GSSDDDDHH 	C36H49N13O20	983.3217	NA	PeJP	NA	NA
+PJ115128	DDDMYYY 	C44H53N7O17S	983.3219	NA	PeJP	NA	NA
+PJ115129	PNDDMMMM 	C37H61N9O14S4	983.3221	NA	PeJP	NA	NA
+PJ115130	GSSCCNNNW 	C37H53N13O15S2	983.3226	NA	PeJP	NA	NA
+PJ115131	PCCCCNRW 	C38H57N13O10S4	983.3235	NA	PeJP	NA	NA
+PJ115132	CCCHFWW 	C46H53N11O8S3	983.3241	NA	PeJP	NA	NA
+PJ115133	GSSSSCNNND 	C33H53N13O20S	983.3251	NA	PeJP	NA	NA
+PJ115134	CCNNDEMR 	C34H57N13O15S3	983.326	NA	PeJP	NA	NA
+PJ115135	DMMMMYY 	C42H61N7O12S4	983.3261	NA	PeJP	NA	NA
+PJ115136	GSCCNEWW 	C42H53N11O13S2	983.3266	NA	PeJP	NA	NA
+PJ115137	TCCCMMHR 	C35H61N13O10S5	983.3268	NA	PeJP	NA	NA
+PJ115138	GSSSCNDEW 	C38H53N11O18S	983.3291	NA	PeJP	NA	NA
+PJ115139	GCNNEMMW 	C39H57N11O13S3	983.33	NA	PeJP	NA	NA
+PJ115140	GSSSSSNDDE 	C34H53N11O23	983.3316	NA	PeJP	NA	NA
+PJ115141	SDDDDMMR 	C35H57N11O18S2	983.3325	NA	PeJP	NA	NA
+PJ115142	GPCDDEYW 	C43H53N9O16S	983.3331	NA	PeJP	NA	NA
+PJ115143	ASSSCMMMH 	C36H61N11O13S4	983.3333	NA	PeJP	NA	NA
+PJ115144	PCCDEMMR 	C36H61N11O13S4	983.3334	NA	PeJP	NA	NA
+PJ115145	SSSSCCHHH 	C36H53N15O14S2	983.3338	NA	PeJP	NA	NA
+PJ115146	GGGGGGCDMHH 	C36H53N15O14S2	983.3339	NA	PeJP	NA	NA
+PJ115147	PPCCCEFW 	C44H57N9O11S3	983.334	NA	PeJP	NA	NA
+PJ115148	GNDEEEEY 	C39H53N9O21	983.3356	NA	PeJP	NA	NA
+PJ115149	GGGDEEEEY 	C39H53N9O21	983.3357	NA	PeJP	NA	NA
+PJ115150	GSDEEMMW 	C40H57N9O16S2	983.3365	NA	PeJP	NA	NA
+PJ115151	CCCNDDRR 	C33H57N15O14S3	983.3372	NA	PeJP	NA	NA
+PJ115152	GPCEMMMW 	C41H61N9O11S4	983.3374	NA	PeJP	NA	NA
+PJ115153	SPCCDHHW 	C41H53N13O12S2	983.3378	NA	PeJP	NA	NA
+PJ115154	GSSSEEEEM 	C36H57N9O21S	983.339	NA	PeJP	NA	NA
+PJ115155	GQEEEMMM 	C37H61N9O16S3	983.3399	NA	PeJP	NA	NA
+PJ115156	CNNNNNEY 	C37H53N13O17S	983.3403	NA	PeJP	NA	NA
+PJ115157	GGGGGGCNNEY 	C37H53N13O17S	983.3404	NA	PeJP	NA	NA
+PJ115158	DDMMFYY 	C45H57N7O14S2	983.3405	NA	PeJP	NA	NA
+PJ115159	APPTCCMMM 	C38H65N9O11S5	983.3407	NA	PeJP	NA	NA
+PJ115160	GSPPCMMMM 	C38H65N9O11S5	983.3408	NA	PeJP	NA	NA
+PJ115161	GCCNDMRW 	C38H57N13O12S3	983.3412	NA	PeJP	NA	NA
+PJ115162	SCCNWWW 	C46H53N11O10S2	983.3419	NA	PeJP	NA	NA
+PJ115163	GSSCNDDMR 	C34H57N13O17S2	983.3437	NA	PeJP	NA	NA
+PJ115164	SSSCNDWW 	C42H53N11O15S	983.3444	NA	PeJP	NA	NA
+PJ115165	GSPCCCQMR 	C35H61N13O12S4	983.3446	NA	PeJP	NA	NA
+PJ115166	MMMMMFY 	C43H65N7O9S5	983.3448	NA	PeJP	NA	NA
+PJ115167	CNNMMWW 	C43H57N11O10S3	983.3452	NA	PeJP	NA	NA
+PJ115168	GGGGCMMWW 	C43H57N11O10S3	983.3453	NA	PeJP	NA	NA
+PJ115169	SSSSSNDDW 	C38H53N11O20	983.3469	NA	PeJP	NA	NA
+PJ115170	SSNNDMMW 	C39H57N11O15S2	983.3477	NA	PeJP	NA	NA
+PJ115171	GGGGSSDMMW 	C39H57N11O15S2	983.3478	NA	PeJP	NA	NA
+PJ115172	PCDDYWW 	C47H53N9O13S	983.3484	NA	PeJP	NA	NA
+PJ115173	PCCCNKMW 	C40H61N11O10S4	983.3486	NA	PeJP	NA	NA
+PJ115174	GCCNQHHW 	C40H53N15O11S2	983.3491	NA	PeJP	NA	NA
+PJ115175	SSSSNNEEM 	C35H57N11O20S	983.3502	NA	PeJP	NA	NA
+PJ115176	GGGGSSSSEEM 	C35H57N11O20S	983.3503	NA	PeJP	NA	NA
+PJ115177	NDEEEYW 	C43H53N9O18	983.3509	NA	PeJP	NA	NA
+PJ115178	GDDEMMMR 	C36H61N11O15S3	983.3511	NA	PeJP	NA	NA
+PJ115179	SCDDDHHR 	C36H53N15O16S	983.3516	NA	PeJP	NA	NA
+PJ115180	CNQMYYY 	C44H57N9O13S2	983.3517	NA	PeJP	NA	NA
+PJ115181	SDEMMWW 	C44H57N9O13S2	983.3518	NA	PeJP	NA	NA
+PJ115182	TCCKMMMH 	C37H65N11O10S5	983.352	NA	PeJP	NA	NA
+PJ115183	PCCCEHHR 	C37H57N15O11S3	983.3525	NA	PeJP	NA	NA
+PJ115184	PCMMMWW 	C45H61N9O8S4	983.3526	NA	PeJP	NA	NA
+PJ115185	SSSSSTCYY 	C40H57N9O18S	983.3542	NA	PeJP	NA	NA
+PJ115186	SSSEEEMW 	C40H57N9O18S	983.3543	NA	PeJP	NA	NA
+PJ115187	DDDFFYY 	C48H53N7O16	983.3549	NA	PeJP	NA	NA
+PJ115188	GGSSSCCNNR 	C33H57N15O16S2	983.355	NA	PeJP	NA	NA
+PJ115189	QEEMMMW 	C41H61N9O13S3	983.3551	NA	PeJP	NA	NA
+PJ115190	GCNNNNYW 	C41H53N13O14S	983.3556	NA	PeJP	NA	NA
+PJ115191	GSPCCCCRR 	C34H61N15O11S4	983.3558	NA	PeJP	NA	NA
+PJ115192	CCCQRWW 	C42H57N13O9S3	983.3565	NA	PeJP	NA	NA
+PJ115193	SSSSTEEEE 	C36H57N9O23	983.3568	NA	PeJP	NA	NA
+PJ115194	STQEEEMM 	C37H61N9O18S2	983.3576	NA	PeJP	NA	NA
+PJ115195	GSSNNNNDY 	C37H53N13O19	983.3581	NA	PeJP	NA	NA
+PJ115196	SEEMYYY 	C45H57N7O16S	983.3583	NA	PeJP	NA	NA
+PJ115197	SPQEMMMM 	C38H65N9O13S4	983.3585	NA	PeJP	NA	NA
+PJ115198	SSCCNERW 	C38H57N13O14S2	983.359	NA	PeJP	NA	NA
+PJ115199	DMMMFFY 	C46H61N7O11S3	983.3592	NA	PeJP	NA	NA
+PJ115200	CNNDFWW 	C46H53N11O12S	983.3596	NA	PeJP	NA	NA
+PJ115201	GCCMMHFR 	C39H61N13O9S4	983.3599	NA	PeJP	NA	NA
+PJ115202	PCCNHHHH 	C39H53N17O10S2	983.3603	NA	PeJP	NA	NA
+PJ115203	SSSSCNDER 	C34H57N13O19S	983.3615	NA	PeJP	NA	NA
+PJ115204	DDDDRYW 	C42H53N11O17	983.3621	NA	PeJP	NA	NA
+PJ115205	SCNNEMMR 	C35H61N13O14S3	983.3623	NA	PeJP	NA	NA
+PJ115206	GGSCNEMMR 	C35H61N13O14S3	983.3624	NA	PeJP	NA	NA
+PJ115207	GSSCQMWW 	C43H57N11O12S2	983.363	NA	PeJP	NA	NA
+PJ115208	GSSSSNEMW 	C39H57N11O17S	983.3655	NA	PeJP	NA	NA
+PJ115209	SDDEFWW 	C47H53N9O15	983.3661	NA	PeJP	NA	NA
+PJ115210	GDEEYWW 	C47H53N9O15	983.3662	NA	PeJP	NA	NA
+PJ115211	DDMMMRW 	C40H61N11O12S3	983.3664	NA	PeJP	NA	NA
+PJ115212	SSCNNHHW 	C40H53N15O13S	983.3668	NA	PeJP	NA	NA
+PJ115213	GGGGSSCHHW 	C40H53N15O13S	983.3669	NA	PeJP	NA	NA
+PJ115214	PCDMFWW 	C48H57N9O10S2	983.367	NA	PeJP	NA	NA
+PJ115215	GSSSSSSQEE 	C35H57N11O22	983.368	NA	PeJP	NA	NA
+PJ115216	SSDEEMMR 	C36H61N11O17S2	983.3689	NA	PeJP	NA	NA
+PJ115217	SSSSNNDHH 	C36H53N15O18	983.3693	NA	PeJP	NA	NA
+PJ115218	GGGGSSSSDHH 	C36H53N15O18	983.3694	NA	PeJP	NA	NA
+PJ115219	GSPDEMYW 	C44H57N9O15S	983.3695	NA	PeJP	NA	NA
+PJ115220	SPCEMMMR 	C37H65N11O12S4	983.3697	NA	PeJP	NA	NA
+PJ115221	GGGAAQMMMM 	C37H65N11O12S4	983.3698	NA	PeJP	NA	NA
+PJ115222	CCNNNNFR 	C37H57N15O13S2	983.3702	NA	PeJP	NA	NA
+PJ115223	AEMMMWW 	C45H61N9O10S3	983.3704	NA	PeJP	NA	NA
+PJ115224	SCEHHWW 	C45H53N13O11S	983.3709	NA	PeJP	NA	NA
+PJ115225	GTQEEEEY 	C40H57N9O20	983.372	NA	PeJP	NA	NA
+PJ115226	GTTEEMMW 	C41H61N9O15S2	983.3729	NA	PeJP	NA	NA
+PJ115227	SSSDEHHW 	C41H53N13O16	983.3734	NA	PeJP	NA	NA
+PJ115228	PCEFYYY 	C49H57N7O13S	983.3735	NA	PeJP	NA	NA
+PJ115229	SCCNDMRR 	C34H61N15O13S3	983.3736	NA	PeJP	NA	NA
+PJ115230	GPTMMMMW 	C42H65N9O10S4	983.3738	NA	PeJP	NA	NA
+PJ115231	GSSCCRWW 	C42H57N13O11S2	983.3742	NA	PeJP	NA	NA
+PJ115232	GGGAPPCCHW 	C42H57N13O11S2	983.3743	NA	PeJP	NA	NA
+PJ115233	GSTTTEEEM 	C37H61N9O20S	983.3754	NA	PeJP	NA	NA
+PJ115234	GKEEEMMM 	C38H65N9O15S3	983.3763	NA	PeJP	NA	NA
+PJ115235	GSSSSCDRW 	C38H57N13O16S	983.3767	NA	PeJP	NA	NA
+PJ115236	GGGGGDDMRY 	C38H57N13O16S	983.3768	NA	PeJP	NA	NA
+PJ115237	VDMMYYY 	C46H61N7O13S2	983.3769	NA	PeJP	NA	NA
+PJ115238	PVNMMMMM 	C39H69N9O10S5	983.3771	NA	PeJP	NA	NA
+PJ115239	SNNDYWW 	C46H53N11O14	983.3774	NA	PeJP	NA	NA
+PJ115240	GSCNMMRW 	C39H61N13O11S3	983.3776	NA	PeJP	NA	NA
+PJ115241	MMMMFFF 	C47H65N7O8S4	983.3778	NA	PeJP	NA	NA
+PJ115242	GNDMHHHH 	C39H53N17O12S	983.3781	NA	PeJP	NA	NA
+PJ115243	CNMHFFW 	C47H57N11O9S2	983.3783	NA	PeJP	NA	NA
+PJ115244	GSSSSSSDDR 	C34H57N13O21	983.3792	NA	PeJP	NA	NA
+PJ115245	GSSSNDMMR 	C35H61N13O16S2	983.3801	NA	PeJP	NA	NA
+PJ115246	GSNNNNNNH 	C35H53N17O17	983.3806	NA	PeJP	NA	NA
+PJ115247	SSSSNMWW 	C43H57N11O14S	983.3807	NA	PeJP	NA	NA
+PJ115248	GGSSSSMWW 	C43H57N11O14S	983.3808	NA	PeJP	NA	NA
+PJ115249	GNNMMMMR 	C36H65N13O11S4	983.381	NA	PeJP	NA	NA
+PJ115250	DEYWWW 	C51H53N9O12	983.3814	NA	PeJP	NA	NA
+PJ115251	GGSCCQHHR 	C36H57N17O12S2	983.3815	NA	PeJP	NA	NA
+PJ115252	CCQKMWW 	C44H61N11O9S3	983.3816	NA	PeJP	NA	NA
+PJ115253	SSSSSSQEW 	C39H57N11O19	983.3832	NA	PeJP	NA	NA
+PJ115254	GGSSSSSTEW 	C39H57N11O19	983.3833	NA	PeJP	NA	NA
+PJ115255	SSSQQMMW 	C40H61N11O14S2	983.3841	NA	PeJP	NA	NA
+PJ115256	GGGGGAAEMMF 	C40H61N11O14S2	983.3842	NA	PeJP	NA	NA
+PJ115257	GNNNNEHW 	C40H53N15O15	983.3846	NA	PeJP	NA	NA
+PJ115258	SPDMYWW 	C48H57N9O12S	983.3848	NA	PeJP	NA	NA
+PJ115259	PPCCMMFR 	C41H65N11O9S4	983.385	NA	PeJP	NA	NA
+PJ115260	CDMHHRW 	C41H57N15O10S2	983.3855	NA	PeJP	NA	NA
+PJ115261	SSSSNDKEM 	C36H61N11O19S	983.3866	NA	PeJP	NA	NA
+PJ115262	TQEEEYW 	C44H57N9O17	983.3873	NA	PeJP	NA	NA
+PJ115263	GTEEMMMR 	C37H65N11O14S3	983.3875	NA	PeJP	NA	NA
+PJ115264	SCNNNNRY 	C37H57N15O15S	983.388	NA	PeJP	NA	NA
+PJ115265	TTEMMWW 	C45H61N9O12S2	983.3881	NA	PeJP	NA	NA
+PJ115266	GAPEMMYW 	C45H61N9O12S2	983.3882	NA	PeJP	NA	NA
+PJ115267	GPMMMMMR 	C38H69N11O9S5	983.3884	NA	PeJP	NA	NA
+PJ115268	NDEHHFW 	C45H53N13O13	983.3886	NA	PeJP	NA	NA
+PJ115269	GTCCCRRW 	C38H61N15O10S3	983.3888	NA	PeJP	NA	NA
+PJ115270	GMMHHWW 	C46H57N13O8S2	983.3895	NA	PeJP	NA	NA
+PJ115271	STTTEEMW 	C41H61N9O17S	983.3906	NA	PeJP	NA	NA
+PJ115272	GVQEEEMY 	C41H61N9O17S	983.3907	NA	PeJP	NA	NA
+PJ115273	SPEYYYY 	C49H57N7O15	983.3913	NA	PeJP	NA	NA
+PJ115274	KEEMMMW 	C42H65N9O12S3	983.3915	NA	PeJP	NA	NA
+PJ115275	CNNERYW 	C42H57N13O13S	983.392	NA	PeJP	NA	NA
+PJ115276	GCCQMMRR 	C35H65N15O10S4	983.3922	NA	PeJP	NA	NA
+PJ115277	CCCKRWW 	C43H61N13O8S3	983.3929	NA	PeJP	NA	NA
+PJ115278	SSTTTTEEE 	C37H61N9O22	983.3931	NA	PeJP	NA	NA
+PJ115279	CQHHHHW 	C43H53N17O9S	983.3933	NA	PeJP	NA	NA
+PJ115280	STKEEEMM 	C38H65N9O17S2	983.394	NA	PeJP	NA	NA
+PJ115281	SSNNDERY 	C38H57N13O18	983.3945	NA	PeJP	NA	NA
+PJ115282	SPKEMMMM 	C39H69N9O12S4	983.3949	NA	PeJP	NA	NA
+PJ115283	SPCCQQRY 	C39H61N13O13S2	983.3953	NA	PeJP	NA	NA
+PJ115284	SSSCQMRW 	C39H61N13O13S2	983.3954	NA	PeJP	NA	NA
+PJ115285	VMMMFYY 	C47H65N7O10S3	983.3955	NA	PeJP	NA	NA
+PJ115286	SSNEHHHH 	C39H53N17O14	983.3958	NA	PeJP	NA	NA
+PJ115287	GGGGPNDHHH 	C39H53N17O14	983.3959	NA	PeJP	NA	NA
+PJ115288	GNQMYWW 	C47H57N11O11S	983.396	NA	PeJP	NA	NA
+PJ115289	SSSSSNEMR 	C35H61N13O18S	983.3979	NA	PeJP	NA	NA
+PJ115290	GSSSSSTWW 	C43H57N11O16	983.3985	NA	PeJP	NA	NA
+PJ115291	SSNQMMMR 	C36H65N13O13S3	983.3987	NA	PeJP	NA	NA
+PJ115292	GGGGGSCCKKM 	C36H65N13O13S3	983.3988	NA	PeJP	NA	NA
+PJ115293	GSSSCNHHR 	C36H57N17O14S	983.3992	NA	PeJP	NA	NA
+PJ115294	GSSCKMWW 	C44H61N11O11S2	983.3994	NA	PeJP	NA	NA
+PJ115295	NNNNHWW 	C44H53N15O12	983.3998	NA	PeJP	NA	NA
+PJ115296	GGNNNHWW 	C44H53N15O12	983.3999	NA	PeJP	NA	NA
+PJ115297	EMFWWW 	C52H57N9O9S	983.4	NA	PeJP	NA	NA
+PJ115298	GSSSSDKMW 	C40H61N11O16S	983.4019	NA	PeJP	NA	NA
+PJ115299	ATEEYWW 	C48H57N9O14	983.4025	NA	PeJP	NA	NA
+PJ115300	TEMMMRW 	C41H65N11O11S3	983.4028	NA	PeJP	NA	NA
+PJ115301	GPCNDHRW 	C41H57N15O12S	983.4032	NA	PeJP	NA	NA
+PJ115302	GGGGGGAMHHF 	C41H57N15O12S	983.4033	NA	PeJP	NA	NA
+PJ115303	APMMYWW 	C49H61N9O9S2	983.4034	NA	PeJP	NA	NA
+PJ115304	GCCCMRRR 	C34H65N17O9S4	983.4035	NA	PeJP	NA	NA
+PJ115305	GDHHFWW 	C49H53N13O10	983.4039	NA	PeJP	NA	NA
+PJ115306	GSSSSSSKEE 	C36H61N11O21	983.4044	NA	PeJP	NA	NA
+PJ115307	GSTTTQQMM 	C37H65N11O16S2	983.4052	NA	PeJP	NA	NA
+PJ115308	STTEEMMR 	C37H65N11O16S2	983.4053	NA	PeJP	NA	NA
+PJ115309	GNNEEEHR 	C37H57N15O17	983.4057	NA	PeJP	NA	NA
+PJ115310	GGGGGEEEHR 	C37H57N15O17	983.4058	NA	PeJP	NA	NA
+PJ115311	VQEEMYW 	C45H61N9O14S	983.4059	NA	PeJP	NA	NA
+PJ115312	GVEMMMMR 	C38H69N11O11S4	983.4061	NA	PeJP	NA	NA
+PJ115313	SSSCCRRW 	C38H61N15O12S2	983.4066	NA	PeJP	NA	NA
+PJ115314	SLMMMWW 	C46H65N9O9S3	983.4068	NA	PeJP	NA	NA
+PJ115315	GCNRYWW 	C46H57N13O10S	983.4072	NA	PeJP	NA	NA
+PJ115316	GGGCRYWW 	C46H57N13O10S	983.4073	NA	PeJP	NA	NA
+PJ115317	GTKEEEEY 	C41H61N9O19	983.4084	NA	PeJP	NA	NA
+PJ115318	SSSSSCDRR 	C34H61N15O17S	983.4091	NA	PeJP	NA	NA
+PJ115319	SSTLEMMW 	C42H65N9O14S2	983.4093	NA	PeJP	NA	NA
+PJ115320	GSSNDRYW 	C42H57N13O15	983.4097	NA	PeJP	NA	NA
+PJ115321	GGGSSDRYW 	C42H57N13O15	983.4098	NA	PeJP	NA	NA
+PJ115322	PCLYYYY 	C50H61N7O12S	983.4099	NA	PeJP	NA	NA
+PJ115323	SSCNMMRR 	C35H65N15O12S3	983.41	NA	PeJP	NA	NA
+PJ115324	AALMMMMW 	C43H69N9O9S4	983.4102	NA	PeJP	NA	NA
+PJ115325	CNQMFRW 	C43H61N13O10S2	983.4106	NA	PeJP	NA	NA
+PJ115326	GSSHHHHW 	C43H53N17O11	983.4111	NA	PeJP	NA	NA
+PJ115327	CHHFFFF 	C51H57N11O8S	983.4113	NA	PeJP	NA	NA
+PJ115328	SSSTTLEEM 	C38H65N9O19S	983.4118	NA	PeJP	NA	NA
+PJ115329	SVKEEMMM 	C39H69N9O14S3	983.4126	NA	PeJP	NA	NA
+PJ115330	VTDKEMMM 	C39H69N9O14S3	983.4127	NA	PeJP	NA	NA
+PJ115331	GSSSSSMRW 	C39H61N13O15S	983.4131	NA	PeJP	NA	NA
+PJ115332	GGGGGGGGSPPPM 	C39H61N13O15S	983.4132	NA	PeJP	NA	NA
+PJ115333	TLMMYYY 	C47H65N7O12S2	983.4133	NA	PeJP	NA	NA
+PJ115334	PCLKMMMM 	C40H73N9O9S5	983.4135	NA	PeJP	NA	NA
+MJ099110	Onitis Adipokinetic peptide CC I 	C47H57N11O13	983.41373	NA	MeJP	NA	NA
+PJ115335	SSQQYWW 	C47H57N11O13	983.4138	NA	PeJP	NA	NA
+PJ115336	GTCCKMRW 	C40H65N13O10S3	983.414	NA	PeJP	NA	NA
+PJ115337	GCNNHHFR 	C40H57N17O11S	983.4145	NA	PeJP	NA	NA
+PJ115338	PPMMHWW 	C48H61N11O8S2	983.4146	NA	PeJP	NA	NA
+PJ115339	GSSSSSSTER 	C35H61N13O20	983.4156	NA	PeJP	NA	NA
+PJ115340	GSSSTQMMR 	C36H65N13O15S2	983.4165	NA	PeJP	NA	NA
+PJ115341	GNDDDHRR 	C36H57N17O16	983.417	NA	PeJP	NA	NA
+PJ115342	SSSTCKWW 	C44H61N11O13S	983.4171	NA	PeJP	NA	NA
+PJ115343	GGGGGSLMYW 	C44H61N11O13S	983.4172	NA	PeJP	NA	NA
+PJ115344	EMMMMRR 	C37H69N13O10S4	983.4174	NA	PeJP	NA	NA
+PJ115345	GPEFYWW 	C52H57N9O11	983.4178	NA	PeJP	NA	NA
+PJ115346	CCKKMWW 	C45H65N11O8S3	983.418	NA	PeJP	NA	NA
+PJ115347	APPCHHHW 	C45H57N15O9S	983.4185	NA	PeJP	NA	NA
+PJ115348	SSSSSSKEW 	C40H61N11O18	983.4196	NA	PeJP	NA	NA
+PJ115349	GGGGSTKEEY 	C40H61N11O18	983.4197	NA	PeJP	NA	NA
+PJ115350	SSSQKMMW 	C41H65N11O13S2	983.4205	NA	PeJP	NA	NA
+PJ115351	NNEEHRW 	C41H57N15O14	983.421	NA	PeJP	NA	NA
+PJ115352	GLEMYWW 	C49H61N9O11S	983.4212	NA	PeJP	NA	NA
+PJ115353	VMMMMRW 	C42H69N11O8S4	983.4214	NA	PeJP	NA	NA
+PJ115354	CCNFRRW 	C42H61N15O9S2	983.4219	NA	PeJP	NA	NA
+PJ115355	SSSSTQKEM 	C37H65N11O18S	983.423	NA	PeJP	NA	NA
+PJ115356	SSSSKYYY 	C45H61N9O16	983.4236	NA	PeJP	NA	NA
+PJ115357	TKEEEYW 	C45H61N9O16	983.4237	NA	PeJP	NA	NA
+PJ115358	SSLEMMMR 	C38H69N11O13S3	983.4239	NA	PeJP	NA	NA
+PJ115359	SPCQQEHR 	C38H61N15O14S	983.4243	NA	PeJP	NA	NA
+PJ115360	GSCNERRY 	C38H61N15O14S	983.4244	NA	PeJP	NA	NA
+PJ115361	PKEMMYW 	C46H65N9O11S2	983.4245	NA	PeJP	NA	NA
+PJ115362	AQQEHWW 	C46H57N13O12	983.425	NA	PeJP	NA	NA
+PJ115363	AAMMMHHR 	C39H65N15O9S3	983.4252	NA	PeJP	NA	NA
+PJ115364	GTCHHHHR 	C39H57N19O10S	983.4257	NA	PeJP	NA	NA
+PJ115365	GVKEEEMY 	C42H65N9O16S	983.427	NA	PeJP	NA	NA
+PJ115366	PPPVVDDDM 	C42H65N9O16S	983.4271	NA	PeJP	NA	NA
+PJ115367	ALEYYYY 	C50H61N7O14	983.4277	NA	PeJP	NA	NA
+PJ115368	ATTLMMMW 	C43H69N9O11S3	983.4279	NA	PeJP	NA	NA
+PJ115369	SNQMRYW 	C43H61N13O12S	983.4284	NA	PeJP	NA	NA
+PJ115370	VMMFFFY 	C51H65N7O9S2	983.4286	NA	PeJP	NA	NA
+PJ115371	GNQFFWW 	C51H57N11O10	983.429	NA	PeJP	NA	NA
+PJ115372	TTTTTTTEE 	C38H65N9O21	983.4295	NA	PeJP	NA	NA
+PJ115373	CKHHHHW 	C44H57N17O8S	983.4297	NA	PeJP	NA	NA
+PJ115374	SSSSLLEMM 	C39H69N9O16S2	983.4304	NA	PeJP	NA	NA
+PJ115375	SSSSSSTRW 	C39H61N13O17	983.4309	NA	PeJP	NA	NA
+PJ115376	ALKEMMMM 	C40H73N9O11S4	983.4313	NA	PeJP	NA	NA
+PJ115377	SSSCKMRW 	C40H65N13O12S2	983.4317	NA	PeJP	NA	NA
+PJ115378	GGGGGVMMRY 	C40H65N13O12S2	983.4318	NA	PeJP	NA	NA
+PJ115379	GSNNNHRW 	C40H57N17O13	983.4322	NA	PeJP	NA	NA
+PJ115380	GNKMYWW 	C48H61N11O10S	983.4324	NA	PeJP	NA	NA
+PJ115381	PFYWWW 	C56H57N9O8	983.433	NA	PeJP	NA	NA
+PJ115382	SSSSSDKMR 	C36H65N13O17S	983.4342	NA	PeJP	NA	NA
+PJ115383	GGGSSSSSCKK 	C36H65N13O17S	983.4343	NA	PeJP	NA	NA
+PJ115384	TTEERYW 	C44H61N11O15	983.4349	NA	PeJP	NA	NA
+PJ115385	SSNKMMMR 	C37H69N13O12S3	983.4351	NA	PeJP	NA	NA
+PJ115386	SPCNDHRR 	C37H61N17O13S	983.4356	NA	PeJP	NA	NA
+PJ115387	PTMMRYW 	C45H65N11O10S2	983.4358	NA	PeJP	NA	NA
+PJ115388	GNEHRWW 	C45H57N15O11	983.4362	NA	PeJP	NA	NA
+PJ115389	GGGEHRWW 	C45H57N15O11	983.4363	NA	PeJP	NA	NA
+PJ115390	LMYWWW 	C53H61N9O8S	983.4364	NA	PeJP	NA	NA
+PJ115391	GSSSTTKMW 	C41H65N11O15S	983.4383	NA	PeJP	NA	NA
+MJ099111	Desglugastrin 	C49H61N9O13	983.438883	NA	MeJP	NA	NA
+PJ115392	STLEYWW 	C49H61N9O13	983.4389	NA	PeJP	NA	NA
+PJ115393	GTCKKMMW 	C42H69N11O10S3	983.4391	NA	PeJP	NA	NA
+PJ115394	GAPCCKKMF 	C42H69N11O10S3	983.4392	NA	PeJP	NA	NA
+PJ115395	SCNRRYW 	C42H61N15O11S	983.4396	NA	PeJP	NA	NA
+PJ115396	ALMMFWW 	C50H65N9O8S2	983.4398	NA	PeJP	NA	NA
+PJ115397	AAQHWWW 	C50H57N13O9	983.4403	NA	PeJP	NA	NA
+PJ115398	SSSSVTTTTN 	C37H65N11O20	983.4407	NA	PeJP	NA	NA
+PJ115399	GSSSSTTTKE 	C37H65N11O20	983.4408	NA	PeJP	NA	NA
+PJ115400	GSSSKKEMM 	C38H69N11O15S2	983.4416	NA	PeJP	NA	NA
+PJ115401	SSSNDRRY 	C38H61N15O16	983.4421	NA	PeJP	NA	NA
+PJ115402	GGGGGGGGGGGPLQ 	C38H61N15O16	983.4422	NA	PeJP	NA	NA
+PJ115403	VKEEMYW 	C46H65N9O13S	983.4423	NA	PeJP	NA	NA
+PJ115404	ATLMMMMR 	C39H73N11O10S4	983.4425	NA	PeJP	NA	NA
+PJ115405	PTFFFYY 	C54H61N7O11	983.4429	NA	PeJP	NA	NA
+PJ115406	NNMMRRY 	C39H65N15O11S2	983.443	NA	PeJP	NA	NA
+PJ115407	SSSHHHHR 	C39H57N19O12	983.4435	NA	PeJP	NA	NA
+PJ115408	PCQKHWW 	C47H61N13O9S	983.4436	NA	PeJP	NA	NA
+PJ115409	SSLKEEEY 	C42H65N9O18	983.4448	NA	PeJP	NA	NA
+PJ115410	SSSSSSMRR 	C35H65N15O16S	983.4455	NA	PeJP	NA	NA
+PJ115411	TTTTLMMW 	C43H69N9O13S2	983.4457	NA	PeJP	NA	NA
+PJ115412	GSSTQRYW 	C43H61N13O14	983.4461	NA	PeJP	NA	NA
+PJ115413	GGGGATLEHW 	C43H61N13O14	983.4462	NA	PeJP	NA	NA
+PJ115414	VVMFYYY 	C51H65N7O11S	983.4463	NA	PeJP	NA	NA
+PJ115415	STCCKMRR 	C36H69N15O11S3	983.4464	NA	PeJP	NA	NA
+PJ115416	GCNNQHRR 	C36H61N19O12S	983.4468	NA	PeJP	NA	NA
+PJ115417	GGGGGGACHRR 	C36H61N19O12S	983.4469	NA	PeJP	NA	NA
+PJ115418	CNKMFRW 	C44H65N13O9S2	983.447	NA	PeJP	NA	NA
+PJ115419	PDHHHRW 	C44H57N17O10	983.4475	NA	PeJP	NA	NA
+PJ115420	STTTTTLEM 	C39H69N9O18S	983.4481	NA	PeJP	NA	NA
+PJ115421	VTTTTTTEM 	C39H69N9O18S	983.4482	NA	PeJP	NA	NA
+PJ115422	TTLKEMMM 	C40H73N9O13S3	983.449	NA	PeJP	NA	NA
+PJ115423	TEEMRRY 	C40H65N13O14S	983.4495	NA	PeJP	NA	NA
+PJ115424	SSQKYWW 	C48H61N11O12	983.4501	NA	PeJP	NA	NA
+PJ115425	GGSTKYWW 	C48H61N11O12	983.4502	NA	PeJP	NA	NA
+PJ115426	PMMMRRY 	C41H69N13O9S3	983.4504	NA	PeJP	NA	NA
+PJ115427	CEHHFRR 	C41H61N17O10S	983.4508	NA	PeJP	NA	NA
+PJ115428	PPTCHHHR 	C41H61N17O10S	983.4509	NA	PeJP	NA	NA
+PJ115429	NHRWWW 	C49H57N15O8	983.4515	NA	PeJP	NA	NA
+PJ115430	SSSSSSSSLR 	C36H65N13O19	983.452	NA	PeJP	NA	NA
+PJ115431	GSSSTKMMR 	C37H69N13O14S2	983.4529	NA	PeJP	NA	NA
+PJ115432	SNNNDKHR 	C37H61N17O15	983.4533	NA	PeJP	NA	NA
+PJ115433	GSNEEHRR 	C37H61N17O15	983.4534	NA	PeJP	NA	NA
+PJ115434	SLEMRYW 	C45H65N11O12S	983.4535	NA	PeJP	NA	NA
+PJ115435	GGGGGAALMFF 	C45H65N11O12S	983.4536	NA	PeJP	NA	NA
+PJ115436	GCKKMMMR 	C38H73N13O9S4	983.4537	NA	PeJP	NA	NA
+PJ115437	CCCLKKMR 	C38H73N13O9S4	983.4538	NA	PeJP	NA	NA
+PJ115438	GPLYYWW 	C53H61N9O10	983.4542	NA	PeJP	NA	NA
+PJ115439	AMHHFRW 	C46H61N15O8S	983.4549	NA	PeJP	NA	NA
+PJ115440	SSSSTTTKW 	C41H65N11O17	983.456	NA	PeJP	NA	NA
+PJ115441	GGAAPPKEEE 	C41H65N11O17	983.4561	NA	PeJP	NA	NA
+PJ115442	SSSKKMMW 	C42H69N11O12S2	983.4569	NA	PeJP	NA	NA
+PJ115443	NDKEHRW 	C42H61N15O13	983.4574	NA	PeJP	NA	NA
+PJ115444	SVLMYWW 	C50H65N9O10S	983.4575	NA	PeJP	NA	NA
+PJ115445	GAPLMFYW 	C50H65N9O10S	983.4576	NA	PeJP	NA	NA
+PJ115446	NHHHHFR 	C43H57N19O9	983.4587	NA	PeJP	NA	NA
+PJ115447	SSSSTKKEM 	C38H69N11O17S	983.4594	NA	PeJP	NA	NA
+PJ115448	SSSLLEYW 	C46H65N9O15	983.46	NA	PeJP	NA	NA
+PJ115449	PPVVEEEW 	C46H65N9O15	983.4601	NA	PeJP	NA	NA
+PJ115450	TTTLMMMR 	C39H73N11O12S3	983.4603	NA	PeJP	NA	NA
+PJ115451	GSSQMRRY 	C39H65N15O13S	983.4607	NA	PeJP	NA	NA
+PJ115452	GSPPPCDRR 	C39H65N15O13S	983.4608	NA	PeJP	NA	NA
+PJ115453	LLQMMYW 	C47H69N9O10S2	983.4609	NA	PeJP	NA	NA
+PJ115454	PPNERWW 	C47H61N13O11	983.4614	NA	PeJP	NA	NA
+PJ115455	VMFFFFF 	C55H65N7O8S	983.4616	NA	PeJP	NA	NA
+PJ115456	ATLKEEMY 	C43H69N9O15S	983.4634	NA	PeJP	NA	NA
+PJ115457	SLLYYYY 	C51H65N7O13	983.4641	NA	PeJP	NA	NA
+PJ115458	APLKMMMY 	C44H73N9O10S3	983.4643	NA	PeJP	NA	NA
+PJ115459	SSNNNHRR 	C36H61N19O14	983.4646	NA	PeJP	NA	NA
+PJ115460	SNKMRYW 	C44H65N13O11S	983.4647	NA	PeJP	NA	NA
+PJ115461	GGSKMRYW 	C44H65N13O11S	983.4648	NA	PeJP	NA	NA
+PJ115462	PPVNWWW 	C52H61N11O9	983.4654	NA	PeJP	NA	NA
+PJ115463	GPCCHRRR 	C37H65N19O9S2	983.4655	NA	PeJP	NA	NA
+PJ115464	SSTTTLLMM 	C40H73N9O15S2	983.4668	NA	PeJP	NA	NA
+PJ115465	STTTQQRY 	C40H65N13O16	983.4672	NA	PeJP	NA	NA
+PJ115466	SSSQKERY 	C40H65N13O16	983.4673	NA	PeJP	NA	NA
+PJ115467	SLLKMMMM 	C41H77N9O10S4	983.4677	NA	PeJP	NA	NA
+PJ115468	VEMMRRY 	C41H69N13O11S2	983.4681	NA	PeJP	NA	NA
+PJ115469	GGAAPPPMMR 	C41H69N13O11S2	983.4682	NA	PeJP	NA	NA
+PJ115470	SNEHRRW 	C41H61N17O12	983.4686	NA	PeJP	NA	NA
+PJ115471	ACKKYWW 	C49H65N11O9S	983.4688	NA	PeJP	NA	NA
+PJ115472	LFFWWW 	C57H61N9O7	983.4694	NA	PeJP	NA	NA
+PJ115473	SSSSTTKMR 	C37H69N13O16S	983.4706	NA	PeJP	NA	NA
+PJ115474	GSSKKEYW 	C45H65N11O14	983.4713	NA	PeJP	NA	NA
+PJ115475	STCKKMMR 	C38H73N13O11S3	983.4715	NA	PeJP	NA	NA
+PJ115476	GSSCRRRY 	C38H65N17O12S	983.472	NA	PeJP	NA	NA
+PJ115477	NKKMMFW 	C46H69N11O9S2	983.4721	NA	PeJP	NA	NA
+PJ115478	VVMMRYW 	C46H69N11O9S2	983.4722	NA	PeJP	NA	NA
+PJ115479	GDKHRWW 	C46H61N15O10	983.4726	NA	PeJP	NA	NA
+PJ115480	ATTLEMRY 	C42H69N11O14S	983.4746	NA	PeJP	NA	NA
+PJ115481	SSVLEMRY 	C42H69N11O14S	983.4747	NA	PeJP	NA	NA
+PJ115482	PVKEYYW 	C50H65N9O12	983.4753	NA	PeJP	NA	NA
+PJ115483	GVLMMMFR 	C43H73N11O9S3	983.4755	NA	PeJP	NA	NA
+PJ115484	VQQMHRW 	C43H65N15O10S	983.476	NA	PeJP	NA	NA
+PJ115485	GPPRWWW 	C51H61N13O8	983.4767	NA	PeJP	NA	NA
+PJ115486	SSSSSSTTLK 	C38H69N11O19	983.4771	NA	PeJP	NA	NA
+PJ115487	GSTTTKKMM 	C39H73N11O14S2	983.478	NA	PeJP	NA	NA
+PJ115488	SSSTQRRY 	C39H65N15O15	983.4785	NA	PeJP	NA	NA
+PJ115489	GTTLLMYW 	C47H69N9O12S	983.4787	NA	PeJP	NA	NA
+PJ115490	GKKKMMMM 	C40H77N11O9S4	983.4789	NA	PeJP	NA	NA
+PJ115491	VVFFFYY 	C55H65N7O10	983.4793	NA	PeJP	NA	NA
+PJ115492	CQKMRRY 	C40H69N15O10S2	983.4794	NA	PeJP	NA	NA
+PJ115493	AAQQHHHR 	C40H61N19O11	983.4798	NA	PeJP	NA	NA
+PJ115494	GGGVQHHHR 	C40H61N19O11	983.4799	NA	PeJP	NA	NA
+PJ115495	PCKKHWW 	C48H65N13O8S	983.48	NA	PeJP	NA	NA
+PJ115496	TTTLKEEY 	C43H69N9O17	983.4812	NA	PeJP	NA	NA
+PJ115497	PTTLKMMY 	C44H73N9O12S2	983.482	NA	PeJP	NA	NA
+PJ115498	GLLKEMMY 	C44H73N9O12S2	983.4821	NA	PeJP	NA	NA
+PJ115499	GSSTKRYW 	C44H65N13O13	983.4825	NA	PeJP	NA	NA
+PJ115500	GGGGGGGGPLLW 	C44H65N13O13	983.4826	NA	PeJP	NA	NA
+PJ115501	NDMHRRR 	C37H65N19O11S	983.4832	NA	PeJP	NA	NA
+PJ115502	PMMFFRR 	C45H69N13O8S2	983.4834	NA	PeJP	NA	NA
+PJ115503	GSHRRWW 	C45H61N17O9	983.4839	NA	PeJP	NA	NA
+PJ115504	GSDKKMRY 	C41H69N13O13S	983.4859	NA	PeJP	NA	NA
+PJ115505	SSKKYWW 	C49H65N11O11	983.4865	NA	PeJP	NA	NA
+PJ115506	AAPPKEWW 	C49H65N11O11	983.4866	NA	PeJP	NA	NA
+PJ115507	LMMMFRR 	C42H73N13O8S3	983.4868	NA	PeJP	NA	NA
+PJ115508	AQMHRRW 	C42H65N17O9S	983.4872	NA	PeJP	NA	NA
+PJ115509	GSDKEHRR 	C38H65N17O14	983.4897	NA	PeJP	NA	NA
+PJ115510	GGGGAPQERR 	C38H65N17O14	983.4898	NA	PeJP	NA	NA
+PJ115511	TQKKMYW 	C46H69N11O11S	983.4899	NA	PeJP	NA	NA
+PJ115512	GLLFYWW 	C54H65N9O9	983.4906	NA	PeJP	NA	NA
+PJ115513	NQHHHRR 	C39H61N21O10	983.4911	NA	PeJP	NA	NA
+PJ115514	TTTTLERY 	C42H69N11O16	983.4924	NA	PeJP	NA	NA
+PJ115515	GTLLMMRY 	C43H73N11O11S2	983.4933	NA	PeJP	NA	NA
+PJ115516	TQKEHRW 	C43H65N15O12	983.4937	NA	PeJP	NA	NA
+PJ115517	GSPPERRW 	C43H65N15O12	983.4938	NA	PeJP	NA	NA
+PJ115518	PLKMFYW 	C51H69N9O9S	983.4939	NA	PeJP	NA	NA
+MJ099112	Liposidomycin; Liposidomycin K-I, 12,13-Dihydro, desulfo 	C46H73N5O18	983.49506	NA	MeJP	NA	NA
+PJ115519	SSTTTTKKM 	C39H73N11O16S	983.4958	NA	PeJP	NA	NA
+PJ115520	STTTLLYW 	C47H69N9O14	983.4964	NA	PeJP	NA	NA
+PJ115521	GPPPLLDEF 	C47H69N9O14	983.4965	NA	PeJP	NA	NA
+PJ115522	STKKKMMM 	C40H77N11O11S3	983.4967	NA	PeJP	NA	NA
+PJ115523	GSSKMRRY 	C40H69N15O12S	983.4971	NA	PeJP	NA	NA
+PJ115524	GGGGGAPPKMR 	C40H69N15O12S	983.4972	NA	PeJP	NA	NA
+PJ115525	LLKMMYW 	C48H73N9O9S2	983.4973	NA	PeJP	NA	NA
+PJ115526	PPDKRWW 	C48H65N13O10	983.4978	NA	PeJP	NA	NA
+PJ115527	ACHRRRW 	C41H65N19O8S	983.4985	NA	PeJP	NA	NA
+7854	NA	YGGFMRRV~	983.4994	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ115528	STLLKEMY 	C44H73N9O14S	983.4998	NA	PeJP	NA	NA
+PJ115529	ALLKMMMF 	C45H77N9O9S3	983.5007	NA	PeJP	NA	NA
+PJ115530	GSSEHRRR 	C37H65N19O13	983.501	NA	PeJP	NA	NA
+PJ115531	TCKKRYW 	C45H69N13O10S	983.5011	NA	PeJP	NA	NA
+PJ115532	LLEMHRW 	C45H69N13O10S	983.5012	NA	PeJP	NA	NA
+PJ115533	PVLHFWW 	C53H65N11O8	983.5018	NA	PeJP	NA	NA
+PJ115534	SSSKKERY 	C41H69N13O15	983.5036	NA	PeJP	NA	NA
+PJ115535	STLLEEHR 	C41H69N13O15	983.5037	NA	PeJP	NA	NA
+PJ115536	QKKMMRY 	C42H73N13O10S2	983.5045	NA	PeJP	NA	NA
+PJ115537	SDKHRRW 	C42H65N17O11	983.505	NA	PeJP	NA	NA
+PJ115538	VLLMHWW 	C50H69N11O8S	983.5052	NA	PeJP	NA	NA
+PJ115539	GTTTKKYW 	C46H69N11O13	983.5077	NA	PeJP	NA	NA
+PJ115540	GPPDMRRR 	C39H69N17O11S	983.5084	NA	PeJP	NA	NA
+MJ099113	N-Acetylnorleucylglutaminylhistidyl-D-phenylalanylarginyl-D-tryptophylglycinamide 	C47H65N15O9	983.508968	NA	MeJP	NA	NA
+PJ115541	SPPRRWW 	C47H65N15O9	983.509	NA	PeJP	NA	NA
+PJ115542	STTLLMRY 	C43H73N11O13S	983.511	NA	PeJP	NA	NA
+PJ115543	PPLLEEMR 	C43H73N11O13S	983.5111	NA	PeJP	NA	NA
+PJ115544	VLLQYYW 	C51H69N9O11	983.5117	NA	PeJP	NA	NA
+MJ099114	Adrenorphin 	C44H69N15O9S	983.512339	NA	MeJP	NA	NA
+PJ115545	AAPPMRRW 	C44H69N15O9S	983.5124	NA	PeJP	NA	NA
+PJ115546	SSSTKRRY 	C40H69N15O14	983.5149	NA	PeJP	NA	NA
+PJ115547	PPVLLEMW 	C48H73N9O11S	983.5151	NA	PeJP	NA	NA
+PJ115548	CKKMRRY 	C41H73N15O9S2	983.5158	NA	PeJP	NA	NA
+PJ115549	SSHRRRW 	C41H65N19O10	983.5162	NA	PeJP	NA	NA
+PJ115550	ATTTTTLLY 	C44H73N9O16	983.5175	NA	PeJP	NA	NA
+PJ115551	SSSTTLLLY 	C44H73N9O16	983.5176	NA	PeJP	NA	NA
+PJ115552	SVLLKMMY 	C45H77N9O11S2	983.5184	NA	PeJP	NA	NA
+PJ115553	APPTKERW 	C45H69N13O12	983.5189	NA	PeJP	NA	NA
+PJ115554	TQMHRRR 	C38H69N19O10S	983.5196	NA	PeJP	NA	NA
+PJ115555	VLHHHRW 	C46H65N17O8	983.5202	NA	PeJP	NA	NA
+PJ115556	GTTKKMRY 	C42H73N13O12S	983.5223	NA	PeJP	NA	NA
+PJ115557	GPPTLKWW 	C50H69N11O10	983.5229	NA	PeJP	NA	NA
+PJ115558	AKMHRRW 	C43H69N17O8S	983.5236	NA	PeJP	NA	NA
+PJ115559	AAPEERRR 	C39H69N17O13	983.5261	NA	PeJP	NA	NA
+PJ115560	GGGGGGGGPKKR 	C39H69N17O13	983.5262	NA	PeJP	NA	NA
+PJ115561	TKKKMYW 	C47H73N11O10S	983.5263	NA	PeJP	NA	NA
+PJ115562	PLKFFFW 	C55H69N9O8	983.527	NA	PeJP	NA	NA
+PJ115563	NKHHHRR 	C40H65N21O9	983.5275	NA	PeJP	NA	NA
+PJ115564	STTKKKEY 	C43H73N11O15	983.5288	NA	PeJP	NA	NA
+PJ115565	GVKKKMMY 	C44H77N11O10S2	983.5297	NA	PeJP	NA	NA
+PJ115566	PLQERRW 	C44H69N15O11	983.5301	NA	PeJP	NA	NA
+PJ115567	GAPLERRW 	C44H69N15O11	983.5302	NA	PeJP	NA	NA
+PJ115568	LLKMFFW 	C52H73N9O8S	983.5303	NA	PeJP	NA	NA
+PJ115569	TCHRRRR 	C37H69N21O9S	983.5308	NA	PeJP	NA	NA
+PJ115570	PVVLLEEW 	C48H73N9O13	983.5328	NA	PeJP	NA	NA
+PJ115571	APPKEMRR 	C41H73N15O11S	983.5335	NA	PeJP	NA	NA
+PJ115572	PVLQRWW 	C49H69N13O9	983.5342	NA	PeJP	NA	NA
+PJ115573	APPTLLLEM 	C45H77N9O13S	983.5362	NA	PeJP	NA	NA
+PJ115574	PDERRRR 	C38H69N19O12	983.5374	NA	PeJP	NA	NA
+PJ115575	GPPLKMRW 	C46H73N13O9S	983.5375	NA	PeJP	NA	NA
+PJ115576	STTTKKRY 	C42H73N13O14	983.54	NA	PeJP	NA	NA
+PJ115577	GGPVLKEER 	C42H73N13O14	983.5401	NA	PeJP	NA	NA
+PJ115578	KKKMMRY 	C43H77N13O9S2	983.5409	NA	PeJP	NA	NA
+PJ115579	PVDRRRW 	C43H69N17O10	983.5414	NA	PeJP	NA	NA
+PJ115580	TTTLLLHW 	C47H73N11O12	983.5441	NA	PeJP	NA	NA
+PJ115581	APPTMRRR 	C40H73N17O10S	983.5448	NA	PeJP	NA	NA
+PJ115582	APLRRWW 	C48H69N15O8	983.5454	NA	PeJP	NA	NA
+PJ115583	SSLKKKMY 	C44H77N11O12S	983.5474	NA	PeJP	NA	NA
+PJ115584	GGGGGPLLLLM 	C44H77N11O12S	983.5475	NA	PeJP	NA	NA
+PJ115585	VLLKYYW 	C52H73N9O10	983.5481	NA	PeJP	NA	NA
+PJ115586	VKKMHRW 	C45H73N15O8S	983.5488	NA	PeJP	NA	NA
+PJ115587	GPLKEERR 	C41H73N15O13	983.5513	NA	PeJP	NA	NA
+PJ115588	GLLLKMFY 	C49H77N9O10S	983.5515	NA	PeJP	NA	NA
+PJ115589	VNHFRRR 	C42H69N19O9	983.5526	NA	PeJP	NA	NA
+PJ115590	GPTLLLLEE 	C45H77N9O15	983.554	NA	PeJP	NA	NA
+PJ115591	GPPLLLLMM 	C46H81N9O10S2	983.5548	NA	PeJP	NA	NA
+PJ115592	GPVLKERW 	C46H73N13O11	983.5553	NA	PeJP	NA	NA
+PJ115593	TKMHRRR 	C39H73N19O9S	983.556	NA	PeJP	NA	NA
+PJ115594	TTLLLMHR 	C43H77N13O11S	983.5587	NA	PeJP	NA	NA
+PJ115595	AAPLLKWW 	C51H73N11O9	983.5593	NA	PeJP	NA	NA
+PJ115596	GPTLERRR 	C40H73N17O12	983.5625	NA	PeJP	NA	NA
+PJ115597	PPVVKKMW 	C48H77N11O9S	983.5627	NA	PeJP	NA	NA
+PJ115598	GHFRRRR 	C41H69N21O8	983.5639	NA	PeJP	NA	NA
+PJ115599	SSTTLLLLH 	C44H77N11O14	983.5652	NA	PeJP	NA	NA
+PJ115600	VLLLKMMH 	C45H81N11O9S2	983.5661	NA	PeJP	NA	NA
+MJ099115	Plumbomycin A 	C47H85NO20	983.566494	NA	MeJP	NA	NA
+PJ115601	PLKERRW 	C45H73N15O10	983.5665	NA	PeJP	NA	NA
+PJ115602	PTLLLLEW 	C49H77N9O12	983.5692	NA	PeJP	NA	NA
+PJ115603	SPPLKMRR 	C42H77N15O10S	983.5699	NA	PeJP	NA	NA
+PJ115604	PVLKRWW 	C50H73N13O8	983.5706	NA	PeJP	NA	NA
+PJ115605	GPVLLLLEM 	C46H81N9O12S	983.5726	NA	PeJP	NA	NA
+PJ115606	GSPQKRRR 	C39H73N19O11	983.5737	NA	PeJP	NA	NA
+PJ115607	GGGPTKRRR 	C39H73N19O11	983.5738	NA	PeJP	NA	NA
+PJ115608	KKKMFFR 	C47H77N13O8S	983.5739	NA	PeJP	NA	NA
+PJ115609	PVVKKEER 	C43H77N13O13	983.5764	NA	PeJP	NA	NA
+PJ115610	GGGGGGGVLLLK 	C43H77N13O13	983.5765	NA	PeJP	NA	NA
+PJ115611	PTLRRRW 	C44H73N17O9	983.5778	NA	PeJP	NA	NA
+PJ115612	APLLKKEW 	C48H77N11O11	983.5804	NA	PeJP	NA	NA
+PJ115613	PVVVKKEW 	C48H77N11O11	983.5805	NA	PeJP	NA	NA
+PJ115614	GPVLMRRR 	C41H77N17O9S	983.5811	NA	PeJP	NA	NA
+PJ115615	PLLLLEMR 	C45H81N11O11S	983.5838	NA	PeJP	NA	NA
+PJ115616	PPVLLLFW 	C53H77N9O9	983.5845	NA	PeJP	NA	NA
+PJ115617	VNQRRRR 	C38H73N21O10	983.585	NA	PeJP	NA	NA
+PJ115618	SPVLKERR 	C42H77N15O12	983.5877	NA	PeJP	NA	NA
+PJ115619	PVLLLLMW 	C50H81N9O9S	983.5878	NA	PeJP	NA	NA
+PJ115620	PPFRRRR 	C43H73N19O8	983.589	NA	PeJP	NA	NA
+PJ115621	AAILLLLEE 	C46H81N9O14	983.5903	NA	PeJP	NA	NA
+PJ115622	AALLLLLEE 	C46H81N9O14	983.5904	NA	PeJP	NA	NA
+PJ115623	APTLLKRW 	C47H77N13O10	983.5917	NA	PeJP	NA	NA
+PJ115624	PLMRRRR 	C40H77N19O8S	983.5924	NA	PeJP	NA	NA
+PJ115625	PVLLQKMR 	C44H81N13O10S	983.5951	NA	PeJP	NA	NA
+2958	maiganin related peptide PGLA	GMASKAGAIAGKIAKVALKAL~	983.5952	MH2+	Inhouse_peptide	NA	peptide
+PJ115626	GQRRRRR 	C37H73N23O9	983.5962	NA	PeJP	NA	NA
+PJ115627	AALLERRR 	C41H77N17O11	983.5989	NA	PeJP	NA	NA
+PJ115628	VLLLLEER 	C45H81N11O13	983.6016	NA	PeJP	NA	NA
+PJ115629	LLLQRRW 	C46H77N15O9	983.6029	NA	PeJP	NA	NA
+PJ115630	VVLLLLEW 	C50H81N9O11	983.6056	NA	PeJP	NA	NA
+PJ115631	APLLKMRR 	C43H81N15O9S	983.6063	NA	PeJP	NA	NA
+PJ115632	APTLLLLLM 	C47H85N9O11S	983.609	NA	PeJP	NA	NA
+PJ115633	VLERRRR 	C40H77N19O10	983.6101	NA	PeJP	NA	NA
+PJ115634	PTLLKKER 	C44H81N13O12	983.6128	NA	PeJP	NA	NA
+PJ115635	VVLRRRW 	C45H77N17O8	983.6141	NA	PeJP	NA	NA
+PJ115636	SPLLLKKW 	C49H81N11O10	983.6168	NA	PeJP	NA	NA
+PJ115637	AAPLLLKKM 	C46H85N11O10S	983.6202	NA	PeJP	NA	NA
+PJ115638	VNKRRRR 	C39H77N21O9	983.6214	NA	PeJP	NA	NA
+PJ115639	GLLLKERR 	C43H81N15O11	983.624	NA	PeJP	NA	NA
+PJ115640	ALLLDKRR 	C43H81N15O11	983.6241	NA	PeJP	NA	NA
+PJ115641	GTLLLLLLE 	C47H85N9O13	983.6267	NA	PeJP	NA	NA
+PJ115642	GVLLLKRW 	C48H81N13O9	983.6281	NA	PeJP	NA	NA
+PJ115643	PVLLKKMR 	C45H85N13O9S	983.6314	NA	PeJP	NA	NA
+PJ115644	GKRRRRR 	C38H77N23O8	983.6326	NA	PeJP	NA	NA
+PJ115645	GTLLLRRR 	C42H81N17O10	983.6353	NA	PeJP	NA	NA
+PJ115646	LLLLQKKE 	C46H85N11O12	983.638	NA	PeJP	NA	NA
+PJ115647	LLLKRRW 	C47H81N15O8	983.6393	NA	PeJP	NA	NA
+PJ115648	TLLLLLLW 	C51H85N9O10	983.642	NA	PeJP	NA	NA
+PJ115649	GVLLLLLLM 	C48H89N9O10S	983.6454	NA	PeJP	NA	NA
+PJ115650	LQKKRRR 	C41H81N19O9	983.6465	NA	PeJP	NA	NA
+PJ115651	VVLLKKER 	C45H85N13O11	983.6492	NA	PeJP	NA	NA
+PJ115652	ALLLLKKW 	C50H85N11O9	983.6532	NA	PeJP	NA	NA
+PJ115653	LLLLLLMR 	C47H89N11O9S	983.6566	NA	PeJP	NA	NA
+3056	NA	GKVLKKRR	983.657	celiac toxic	Inhouse_peptide	NA	peptide
+7772	ACTH-like peptide	GKVLKKRR	983.657	antioxidative	Inhouse_peptide	NA	peptide
+PJ115654	SVLLLKRR 	C44H85N15O10	983.6604	NA	PeJP	NA	NA
+PJ115655	SSLLLLLLL 	C48H89N9O12	983.6631	NA	PeJP	NA	NA
+PJ115656	GVLKKKRR 	C43H85N17O9	983.6717	NA	PeJP	NA	NA
+PJ115657	GSLLLLLKK 	C47H89N11O11	983.6743	NA	PeJP	NA	NA
+PJ115658	LLLLKKKE 	C47H89N11O11	983.6744	NA	PeJP	NA	NA
+PJ115659	LKKKRRR 	C42H85N19O8	983.6829	NA	PeJP	NA	NA
+PJ115660	TLLLLKKR 	C46H89N13O10	983.6856	NA	PeJP	NA	NA
+PJ115661	ALLKKKKR 	C45H89N15O9	983.6968	NA	PeJP	NA	NA
+PJ115662	VLLKKKKK 	C47H93N13O9	983.722	NA	PeJP	NA	NA
+MJ099116	Hydrargaphen 	C33H24Hg2O6S2	984.042681	NA	MeJP	NA	NA
+C11448	3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-	C32H43N8O20P3S	984.1527	NA	KEGG	NA	NA
+C11449	3-Amino-3-(5-chloro-3,4-dihydroxyphenyl)propanoyl-[pcp]	C9H9ClNO3SR	984.1527	NA	KEGG	NA	NA
+PJ115663	CCCCCCCNM 	C30H52N10O11S8	984.1583	NA	PeJP	NA	NA
+PJ115664	GSTCCCCCCC 	C30H52N10O13S7	984.1761	NA	PeJP	NA	NA
+PJ115665	SSSSCCCCCC 	C30H52N10O15S6	984.1938	NA	PeJP	NA	NA
+PJ115666	GCCCCCCQY 	C34H52N10O12S6	984.2091	NA	PeJP	NA	NA
+PJ115667	PCCCCCCNH 	C33H52N12O11S6	984.2203	NA	PeJP	NA	NA
+PJ115668	SSCCCCCNY 	C34H52N10O14S5	984.2268	NA	PeJP	NA	NA
+PJ115669	CCCCEMMY 	C36H56N8O12S6	984.2342	NA	PeJP	NA	NA
+PJ115670	GCCCCNDMH 	C33H52N12O13S5	984.2381	NA	PeJP	NA	NA
+PJ115671	GCCNDDDDE 	C33H48N10O21S2	984.2437	NA	PeJP	NA	NA
+PJ115672	GGGCCDDDDE 	C33H48N10O21S2	984.2438	NA	PeJP	NA	NA
+PJ115673	GCCCCCCKY 	C35H56N10O11S6	984.2455	NA	PeJP	NA	NA
+PJ115674	CCCCDEFY 	C39H52N8O14S4	984.2486	NA	PeJP	NA	NA
+PJ115675	CCCCCQHW 	C37H52N12O10S5	984.2533	NA	PeJP	NA	NA
+PJ115676	SSCCCCNEH 	C33H52N12O15S4	984.2558	NA	PeJP	NA	NA
+PJ115677	GGGGPCCCCND 	C33H52N12O15S4	984.2559	NA	PeJP	NA	NA
+PJ115678	CCNDDDDW 	C37H48N10O18S2	984.259	NA	PeJP	NA	NA
+PJ115679	CCCCNNYY 	C38H52N10O13S4	984.2598	NA	PeJP	NA	NA
+PJ115680	GGCCCCNYY 	C38H52N10O13S4	984.2599	NA	PeJP	NA	NA
+PJ115681	SSCNDDDDD 	C33H48N10O23S	984.2615	NA	PeJP	NA	NA
+PJ115682	SPCCCNDDE 	C34H52N10O18S3	984.2624	NA	PeJP	NA	NA
+PJ115683	CCDDMMMH 	C35H56N10O13S5	984.2632	NA	PeJP	NA	NA
+PJ115684	SCCCDEYY 	C39H52N8O16S3	984.2664	NA	PeJP	NA	NA
+PJ115685	PCCCCMYY 	C40H56N8O11S5	984.2672	NA	PeJP	NA	NA
+PJ115686	CCCCEMFF 	C40H56N8O11S5	984.2673	NA	PeJP	NA	NA
+PJ115687	DDDDDEMM 	C35H52N8O21S2	984.2689	NA	PeJP	NA	NA
+PJ115688	TCCCMMMY 	C37H60N8O11S6	984.2706	NA	PeJP	NA	NA
+PJ115689	GSSCCCCHW 	C37H52N12O12S4	984.2711	NA	PeJP	NA	NA
+PJ115690	GSSSSCCCDH 	C33H52N12O17S3	984.2736	NA	PeJP	NA	NA
+PJ115691	GSCCCNMMH 	C34H56N12O12S5	984.2745	NA	PeJP	NA	NA
+PJ115692	GSPCCCDDW 	C38H52N10O15S3	984.2776	NA	PeJP	NA	NA
+PJ115693	APPCCCCCW 	C39H56N10O10S5	984.2785	NA	PeJP	NA	NA
+PJ115694	GSCNDDDEM 	C34H52N10O20S2	984.2801	NA	PeJP	NA	NA
+PJ115695	GPCCNDDMM 	C35H56N10O15S4	984.281	NA	PeJP	NA	NA
+PJ115696	CCCDMHHH 	C36H52N14O11S4	984.2823	NA	PeJP	NA	NA
+PJ115697	DDDDDDEF 	C38H48N8O23	984.2833	NA	PeJP	NA	NA
+PJ115698	SCCCNNNNN 	C32H52N14O16S3	984.2848	NA	PeJP	NA	NA
+PJ115699	GGGGGGGGSCCCN 	C32H52N14O16S3	984.2849	NA	PeJP	NA	NA
+PJ115700	GCCDMMYY 	C40H56N8O13S4	984.285	NA	PeJP	NA	NA
+PJ115701	GTCCCCCHR 	C33H56N14O11S5	984.2857	NA	PeJP	NA	NA
+PJ115702	CDDDDEHH 	C36H48N12O19S	984.288	NA	PeJP	NA	NA
+PJ115703	CCCNNNEW 	C37H52N12O14S3	984.2888	NA	PeJP	NA	NA
+PJ115704	GGCCCNNEW 	C37H52N12O14S3	984.2889	NA	PeJP	NA	NA
+PJ115705	CCCCCKHW 	C38H56N12O9S5	984.2897	NA	PeJP	NA	NA
+PJ115706	SSCCNNNDE 	C33H52N12O19S2	984.2913	NA	PeJP	NA	NA
+PJ115707	GSCCDDDDR 	C33H52N12O19S2	984.2914	NA	PeJP	NA	NA
+PJ115708	GPCCCCDER 	C34H56N12O14S4	984.2922	NA	PeJP	NA	NA
+PJ115709	NNDDDDDY 	C37H48N10O22	984.2945	NA	PeJP	NA	NA
+PJ115710	SCNDDDMW 	C38H52N10O17S2	984.2954	NA	PeJP	NA	NA
+PJ115711	PCCCNEMW 	C39H56N10O12S4	984.2962	NA	PeJP	NA	NA
+PJ115712	GGPCCCEMW 	C39H56N10O12S4	984.2963	NA	PeJP	NA	NA
+PJ115713	SSSNDDDDM 	C34H52N10O22S	984.2979	NA	PeJP	NA	NA
+PJ115714	NNDDDMMM 	C35H56N10O17S3	984.2987	NA	PeJP	NA	NA
+PJ115715	GGNDDDMMM 	C35H56N10O17S3	984.2988	NA	PeJP	NA	NA
+PJ115716	GCCDDFYY 	C43H52N8O15S2	984.2994	NA	PeJP	NA	NA
+PJ115717	SCDMMMMH 	C36H60N10O12S5	984.2996	NA	PeJP	NA	NA
+PJ115718	GPCCCNDHH 	C36H52N14O13S3	984.3001	NA	PeJP	NA	NA
+PJ115719	PCCCCFFY 	C44H56N8O10S4	984.3003	NA	PeJP	NA	NA
+PJ115720	PDDDDDMY 	C39H52N8O20S	984.3019	NA	PeJP	NA	NA
+PJ115721	SSCCEMYY 	C40H56N8O15S3	984.3028	NA	PeJP	NA	NA
+PJ115722	SSSCCCCHR 	C33H56N14O13S4	984.3034	NA	PeJP	NA	NA
+PJ115723	GCCMMMFY 	C41H60N8O10S5	984.3036	NA	PeJP	NA	NA
+PJ115724	GCCCNNWW 	C41H52N12O11S3	984.3041	NA	PeJP	NA	NA
+PJ115725	SDDEEEMM 	C36H56N8O20S2	984.3053	NA	PeJP	NA	NA
+PJ115726	PDDDMMMM 	C37H60N8O15S4	984.3061	NA	PeJP	NA	NA
+PJ115727	GSSCCNNDW 	C37H52N12O16S2	984.3066	NA	PeJP	NA	NA
+PJ115728	PCCCCDRW 	C38H56N12O11S4	984.3075	NA	PeJP	NA	NA
+PJ115729	GSSSSCNNDD 	C33H52N12O21S	984.3091	NA	PeJP	NA	NA
+PJ115730	CCNDDEMR 	C34H56N12O16S3	984.31	NA	PeJP	NA	NA
+PJ115731	GSCCDEWW 	C42H52N10O14S2	984.3106	NA	PeJP	NA	NA
+PJ115732	SVCCCCCKH 	C35H60N12O11S5	984.3108	NA	PeJP	NA	NA
+PJ115733	PPTCCCCCR 	C35H60N12O11S5	984.3109	NA	PeJP	NA	NA
+PJ115734	GPCCCMWW 	C43H56N10O9S4	984.3115	NA	PeJP	NA	NA
+PJ115735	GSSSCDDEW 	C38H52N10O19S	984.3131	NA	PeJP	NA	NA
+PJ115736	GGGGDDDDMF 	C38H52N10O19S	984.3132	NA	PeJP	NA	NA
+PJ115737	GCNDEMMW 	C39H56N10O14S3	984.314	NA	PeJP	NA	NA
+PJ115738	GSSSSSDDDE 	C34H52N10O24	984.3156	NA	PeJP	NA	NA
+PJ115739	GSSNDDEMM 	C35H56N10O19S2	984.3165	NA	PeJP	NA	NA
+PJ115740	GSCDDYYY 	C43H52N8O17S	984.3171	NA	PeJP	NA	NA
+PJ115741	GSPCNDMMM 	C36H60N10O14S4	984.3174	NA	PeJP	NA	NA
+PJ115742	CNNDDMHH 	C36H52N14O15S2	984.3178	NA	PeJP	NA	NA
+PJ115743	GGCNDDMHH 	C36H52N14O15S2	984.3179	NA	PeJP	NA	NA
+PJ115744	APCCCYYY 	C44H56N8O12S3	984.318	NA	PeJP	NA	NA
+PJ115745	ACMMMMMH 	C37H64N10O9S6	984.3182	NA	PeJP	NA	NA
+PJ115746	CCCCNHFR 	C37H56N14O10S4	984.3187	NA	PeJP	NA	NA
+PJ115747	GDDEEEEY 	C39H52N8O22	984.3197	NA	PeJP	NA	NA
+PJ115748	PDDDDMMF 	C40H56N8O17S2	984.3205	NA	PeJP	NA	NA
+PJ115749	CCCDDDRR 	C33H56N14O15S3	984.3212	NA	PeJP	NA	NA
+PJ115750	GSCMMMYY 	C41H60N8O12S4	984.3214	NA	PeJP	NA	NA
+PJ115751	GEEEEMMM 	C37H60N8O17S3	984.3239	NA	PeJP	NA	NA
+PJ115752	CNNNNDEY 	C37H52N12O18S	984.3244	NA	PeJP	NA	NA
+PJ115753	GCCDDMRW 	C38H56N12O13S3	984.3252	NA	PeJP	NA	NA
+PJ115754	GGGGGGTCCMW 	C38H56N12O13S3	984.3253	NA	PeJP	NA	NA
+PJ115755	SCCDWWW 	C46H52N10O11S2	984.3259	NA	PeJP	NA	NA
+PJ115756	GSSCDDDMR 	C34H56N12O18S2	984.3277	NA	PeJP	NA	NA
+PJ115757	GGGGGGSSSCEM 	C34H56N12O18S2	984.3278	NA	PeJP	NA	NA
+PJ115758	SSSCDDWW 	C42H52N10O16S	984.3284	NA	PeJP	NA	NA
+PJ115759	GSPCCCEMR 	C35H60N12O13S4	984.3286	NA	PeJP	NA	NA
+PJ115760	GSCCNNNHH 	C35H52N16O14S2	984.3291	NA	PeJP	NA	NA
+PJ115761	CNDMMWW 	C43H56N10O11S3	984.3292	NA	PeJP	NA	NA
+PJ115762	GGCDMMWW 	C43H56N10O11S3	984.3293	NA	PeJP	NA	NA
+PJ115763	SSSSSDDDW 	C38H52N10O21	984.3309	NA	PeJP	NA	NA
+PJ115764	SSNDDMMW 	C39H56N10O16S2	984.3318	NA	PeJP	NA	NA
+PJ115765	SPCCQMMW 	C40H60N10O11S4	984.3326	NA	PeJP	NA	NA
+PJ115766	GCCNEHHW 	C40H52N14O12S2	984.3331	NA	PeJP	NA	NA
+PJ115767	SSSSNDEEM 	C35H56N10O21S	984.3342	NA	PeJP	NA	NA
+PJ115768	GGSSSSDEEM 	C35H56N10O21S	984.3343	NA	PeJP	NA	NA
+PJ115769	DDEEEYW 	C43H52N8O19	984.3349	NA	PeJP	NA	NA
+PJ115770	SNNEEMMM 	C36H60N10O16S3	984.3351	NA	PeJP	NA	NA
+PJ115771	GSSCNDEHH 	C36H52N14O17S	984.3356	NA	PeJP	NA	NA
+PJ115772	CNEMYYY 	C44H56N8O14S2	984.3358	NA	PeJP	NA	NA
+PJ115773	SSMMMMMH 	C37H64N10O11S5	984.336	NA	PeJP	NA	NA
+PJ115774	SCCCNNRW 	C37H56N14O12S3	984.3365	NA	PeJP	NA	NA
+PJ115775	GCCMMFFF 	C45H60N8O9S4	984.3367	NA	PeJP	NA	NA
+PJ115776	SPDDEEMY 	C40H56N8O19S	984.3383	NA	PeJP	NA	NA
+PJ115777	SSSCCNNDR 	C33H56N14O17S2	984.339	NA	PeJP	NA	NA
+PJ115778	EEEMMMW 	C41H60N8O14S3	984.3391	NA	PeJP	NA	NA
+PJ115779	PPCDEMMY 	C41H60N8O14S3	984.3392	NA	PeJP	NA	NA
+PJ115780	GCNNNDYW 	C41H52N12O15S	984.3396	NA	PeJP	NA	NA
+PJ115781	CCNNNMMR 	C34H60N14O12S4	984.3398	NA	PeJP	NA	NA
+PJ115782	GGGGCCNMMR 	C34H60N14O12S4	984.3399	NA	PeJP	NA	NA
+PJ115783	CCCERWW 	C42H56N12O10S3	984.3405	NA	PeJP	NA	NA
+PJ115784	STEEEEMM 	C37H60N8O19S2	984.3416	NA	PeJP	NA	NA
+PJ115785	TTDEEEMM 	C37H60N8O19S2	984.3417	NA	PeJP	NA	NA
+PJ115786	GSSNNNDDY 	C37H52N12O20	984.3421	NA	PeJP	NA	NA
+PJ115787	SPEEMMMM 	C38H64N8O14S4	984.3425	NA	PeJP	NA	NA
+PJ115788	SSCCDERW 	C38H56N12O15S2	984.343	NA	PeJP	NA	NA
+PJ115789	CNDDFWW 	C46H52N10O13S	984.3436	NA	PeJP	NA	NA
+PJ115790	GGCDDFWW 	C46H52N10O13S	984.3437	NA	PeJP	NA	NA
+PJ115791	SPCCCMRW 	C39H60N12O10S4	984.3439	NA	PeJP	NA	NA
+PJ115792	PCCDHHHH 	C39H52N16O11S2	984.3443	NA	PeJP	NA	NA
+PJ115793	ACCMWWW 	C47H56N10O8S3	984.3445	NA	PeJP	NA	NA
+PJ115794	SSSSCDDER 	C34H56N12O20S	984.3455	NA	PeJP	NA	NA
+PJ115795	GSNDDEYW 	C42H52N10O18	984.3461	NA	PeJP	NA	NA
+PJ115796	GGGSDDEYW 	C42H52N10O18	984.3462	NA	PeJP	NA	NA
+PJ115797	ASTCCNQQM 	C35H60N12O15S3	984.3463	NA	PeJP	NA	NA
+PJ115798	SCNDEMMR 	C35H60N12O15S3	984.3464	NA	PeJP	NA	NA
+PJ115799	GSSCEMWW 	C43H56N10O13S2	984.347	NA	PeJP	NA	NA
+PJ115800	PCCNMMMR 	C36H64N12O10S5	984.3472	NA	PeJP	NA	NA
+FL5FABGI0015	Acuminatoside	C45H60O24	984.34745	142735-71-5	knapsack	NA	NA
+MJ099117	3,4',5,7-Tetrahydroxy-8-prenylflavone; 4'-Me ether, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C45H60O24	984.347452	NA	MeJP	NA	NA
+PJ115801	CMMMHFW 	C44H60N10O8S4	984.3479	NA	PeJP	NA	NA
+PJ115802	CCNHHWW 	C44H52N14O9S2	984.3483	NA	PeJP	NA	NA
+PJ115803	GGCCHHWW 	C44H52N14O9S2	984.3484	NA	PeJP	NA	NA
+PJ115804	GSSSSDEMW 	C39H56N10O18S	984.3495	NA	PeJP	NA	NA
+PJ115805	GSNEMMMW 	C40H60N10O13S3	984.3504	NA	PeJP	NA	NA
+PJ115806	SSCNDHHW 	C40H52N14O14S	984.3509	NA	PeJP	NA	NA
+PJ115807	GCMYYYW 	C48H56N8O11S2	984.351	NA	PeJP	NA	NA
+PJ115808	CCCCNQRR 	C33H60N16O11S4	984.3511	NA	PeJP	NA	NA
+PJ115809	ACCMHHHF 	C41H56N14O9S3	984.3517	NA	PeJP	NA	NA
+PJ115810	GSSSSSSEEE 	C35H56N10O23	984.352	NA	PeJP	NA	NA
+PJ115811	GSSSQEEMM 	C36H60N10O18S2	984.3529	NA	PeJP	NA	NA
+PJ115812	SSSSNDDHH 	C36H52N14O19	984.3534	NA	PeJP	NA	NA
+PJ115813	DEEEMFW 	C44H56N8O16S	984.3535	NA	PeJP	NA	NA
+PJ115814	GSSPNMMMM 	C37H64N10O13S4	984.3537	NA	PeJP	NA	NA
+PJ115815	GQQEMMMM 	C37H64N10O13S4	984.3538	NA	PeJP	NA	NA
+PJ115816	CCNNNDFR 	C37H56N14O14S2	984.3542	NA	PeJP	NA	NA
+PJ115817	GGGGGGCCDFR 	C37H56N14O14S2	984.3543	NA	PeJP	NA	NA
+PJ115818	CQMMFYY 	C45H60N8O11S3	984.3544	NA	PeJP	NA	NA
+PJ115819	GTEEEEEY 	C40H56N8O21	984.356	NA	PeJP	NA	NA
+PJ115820	GPEEEMMY 	C41H60N8O16S2	984.3569	NA	PeJP	NA	NA
+PJ115821	SPNDDDHW 	C41H52N12O17	984.3574	NA	PeJP	NA	NA
+PJ115822	SCCDDMRR 	C34H60N14O14S3	984.3576	NA	PeJP	NA	NA
+PJ115823	PPCEMMMF 	C42H64N8O11S4	984.3578	NA	PeJP	NA	NA
+PJ115824	GCNNNMFW 	C42H56N12O12S2	984.3582	NA	PeJP	NA	NA
+PJ115825	GGGCNNMFW 	C42H56N12O12S2	984.3583	NA	PeJP	NA	NA
+PJ115826	SVEEEMMM 	C38H64N8O16S3	984.3603	NA	PeJP	NA	NA
+PJ115827	SSSSSCNQW 	C38H56N12O17S	984.3607	NA	PeJP	NA	NA
+PJ115828	GGGGSSSSTCW 	C38H56N12O17S	984.3608	NA	PeJP	NA	NA
+PJ115829	PVDMMMMM 	C39H68N8O11S5	984.3612	NA	PeJP	NA	NA
+PJ115830	SNDDYWW 	C46H52N10O15	984.3614	NA	PeJP	NA	NA
+PJ115831	GSCDMMRW 	C39H60N12O12S3	984.3616	NA	PeJP	NA	NA
+PJ115832	GDDMHHHH 	C39H52N16O13S	984.3621	NA	PeJP	NA	NA
+PJ115833	SSCMWWW 	C47H56N10O10S2	984.3623	NA	PeJP	NA	NA
+PJ115834	SSSSSSSNNE 	C34H56N12O22	984.3632	NA	PeJP	NA	NA
+PJ115835	GGGGSSSSSSSE 	C34H56N12O22	984.3633	NA	PeJP	NA	NA
+PJ115836	GSSSDDMMR 	C35H60N12O17S2	984.3641	NA	PeJP	NA	NA
+PJ115837	GSNNNNNDH 	C35H52N16O18	984.3646	NA	PeJP	NA	NA
+PJ115838	SSSSDMWW 	C43H56N10O15S	984.3648	NA	PeJP	NA	NA
+PJ115839	GNDMMMMR 	C36H64N12O12S4	984.365	NA	PeJP	NA	NA
+PJ115840	SCCNEHHR 	C36H56N16O13S2	984.3655	NA	PeJP	NA	NA
+PJ115841	SNMMMWW 	C44H60N10O10S3	984.3656	NA	PeJP	NA	NA
+PJ115842	GGPCCCLFW 	C44H60N10O10S3	984.3657	NA	PeJP	NA	NA
+PJ115843	SSSSSSEEW 	C39H56N10O20	984.3673	NA	PeJP	NA	NA
+PJ115844	SSSQEMMW 	C40H60N10O15S2	984.3681	NA	PeJP	NA	NA
+PJ115845	GGGGSPEMMY 	C40H60N10O15S2	984.3682	NA	PeJP	NA	NA
+PJ115846	GNNNDEHW 	C40H52N14O16	984.3686	NA	PeJP	NA	NA
+PJ115847	STCYYYW 	C48H56N8O13S	984.3688	NA	PeJP	NA	NA
+PJ115848	QQMMMMW 	C41H64N10O10S4	984.369	NA	PeJP	NA	NA
+PJ115849	GSCQMHHW 	C41H56N14O11S2	984.3695	NA	PeJP	NA	NA
+PJ115850	SSSSTQEEM 	C36H60N10O20S	984.3706	NA	PeJP	NA	NA
+PJ115851	TEEEEYW 	C44H56N8O18	984.3713	NA	PeJP	NA	NA
+PJ115852	SNDKEMMM 	C37H64N10O15S3	984.3715	NA	PeJP	NA	NA
+PJ115853	SCNNNDRY 	C37H56N14O16S	984.372	NA	PeJP	NA	NA
+PJ115854	SQMMYYY 	C45H60N8O13S2	984.3721	NA	PeJP	NA	NA
+PJ115855	PEEMMYW 	C45H60N8O13S2	984.3722	NA	PeJP	NA	NA
+PJ115856	PCNKMMMM 	C38H68N10O10S5	984.3724	NA	PeJP	NA	NA
+PJ115857	DDEHHFW 	C45H52N12O14	984.3726	NA	PeJP	NA	NA
+PJ115858	GNQMMMHH 	C38H60N14O11S3	984.3729	NA	PeJP	NA	NA
+PJ115859	SCNNHHHH 	C38H52N18O12S	984.3733	NA	PeJP	NA	NA
+PJ115860	GPPCCHWW 	C46H56N12O9S2	984.3735	NA	PeJP	NA	NA
+PJ115861	GVEEEEMY 	C41H60N8O18S	984.3747	NA	PeJP	NA	NA
+PJ115862	SSSSCNNMR 	C34H60N14O16S2	984.3753	NA	PeJP	NA	NA
+PJ115863	GGSSSSCNMR 	C34H60N14O16S2	984.3754	NA	PeJP	NA	NA
+PJ115864	SPPEMMMY 	C42H64N8O13S3	984.3755	NA	PeJP	NA	NA
+PJ115865	CNDERYW 	C42H56N12O14S	984.376	NA	PeJP	NA	NA
+PJ115866	GCCEMMRR 	C35H64N14O11S4	984.3762	NA	PeJP	NA	NA
+PJ115867	TCCMRWW 	C43H60N12O9S3	984.3769	NA	PeJP	NA	NA
+PJ115868	CEHHHHW 	C43H52N16O10S	984.3773	NA	PeJP	NA	NA
+PJ115869	GSSSSSSSNW 	C38H56N12O19	984.3785	NA	PeJP	NA	NA
+PJ115870	ALEEMMMM 	C39H68N8O13S4	984.3789	NA	PeJP	NA	NA
+PJ115871	SSSCEMRW 	C39H60N12O14S2	984.3794	NA	PeJP	NA	NA
+PJ115872	SSDEHHHH 	C39H52N16O15	984.3799	NA	PeJP	NA	NA
+PJ115873	GNEMYWW 	C47H56N10O12S	984.38	NA	PeJP	NA	NA
+PJ115874	CQMMMRW 	C40H64N12O9S4	984.3802	NA	PeJP	NA	NA
+PJ115875	GACMMMRW 	C40H64N12O9S4	984.3803	NA	PeJP	NA	NA
+PJ115876	GSCCHHRW 	C40H56N16O10S2	984.3807	NA	PeJP	NA	NA
+PJ115877	SSSSSDEMR 	C35H60N12O19S	984.3819	NA	PeJP	NA	NA
+PJ115878	GSSQEEYW 	C43H56N10O17	984.3825	NA	PeJP	NA	NA
+PJ115879	GGGGGEEEFF 	C43H56N10O17	984.3826	NA	PeJP	NA	NA
+PJ115880	SSNEMMMR 	C36H64N12O14S3	984.3827	NA	PeJP	NA	NA
+PJ115881	AASSCEMMR 	C36H64N12O14S3	984.3828	NA	PeJP	NA	NA
+PJ115882	GSSSCDHHR 	C36H56N16O15S	984.3832	NA	PeJP	NA	NA
+PJ115883	GGGGGGGGGGQMH 	C36H56N16O15S	984.3833	NA	PeJP	NA	NA
+PJ115884	GSSTMMWW 	C44H60N10O12S2	984.3834	NA	PeJP	NA	NA
+PJ115885	NNNDHWW 	C44H52N14O13	984.3839	NA	PeJP	NA	NA
+PJ115886	GCFFYYW 	C52H56N8O10S	984.384	NA	PeJP	NA	NA
+PJ115887	GCNMMHHR 	C37H60N16O10S3	984.3841	NA	PeJP	NA	NA
+PJ115888	GSSSTTEMW 	C40H60N10O17S	984.3859	NA	PeJP	NA	NA
+PJ115889	GQEYYYY 	C48H56N8O15	984.3865	NA	PeJP	NA	NA
+PJ115890	PDEEFYW 	C48H56N8O15	984.3866	NA	PeJP	NA	NA
+PJ115891	GSDKMMMW 	C41H64N10O12S3	984.3868	NA	PeJP	NA	NA
+PJ115892	SSSNMHHW 	C41H56N14O13S	984.3872	NA	PeJP	NA	NA
+PJ115893	GPCDDHRW 	C41H56N14O13S	984.3873	NA	PeJP	NA	NA
+PJ115894	CQMFFFY 	C49H60N8O10S2	984.3874	NA	PeJP	NA	NA
+PJ115895	CCCCNKRR 	C34H64N16O10S4	984.3875	NA	PeJP	NA	NA
+PJ115896	GSSSSTTTEE 	C36H60N10O22	984.3884	NA	PeJP	NA	NA
+PJ115897	GSSSKEEMM 	C37H64N10O17S2	984.3893	NA	PeJP	NA	NA
+PJ115898	ADDDQEHR 	C37H56N14O18	984.3897	NA	PeJP	NA	NA
+PJ115899	GNDEEEHR 	C37H56N14O18	984.3898	NA	PeJP	NA	NA
+PJ115900	VEEEMYW 	C45H60N8O15S	984.3899	NA	PeJP	NA	NA
+PJ115901	GQKEMMMM 	C38H68N10O12S4	984.3901	NA	PeJP	NA	NA
+PJ115902	GGAKEMMMM 	C38H68N10O12S4	984.3902	NA	PeJP	NA	NA
+PJ115903	GCNNQMRY 	C38H60N14O13S2	984.3906	NA	PeJP	NA	NA
+PJ115904	CKMMFYY 	C46H64N8O10S3	984.3908	NA	PeJP	NA	NA
+PJ115905	GCDRYWW 	C46H56N12O11S	984.3913	NA	PeJP	NA	NA
+PJ115906	CCMMRRW 	C39H64N14O8S4	984.3915	NA	PeJP	NA	NA
+PJ115907	SSLEEEEY 	C41H60N8O20	984.3924	NA	PeJP	NA	NA
+PJ115908	GSSSSSSCQR 	C34H60N14O18S	984.3931	NA	PeJP	NA	NA
+PJ115909	SPVEEMMY 	C42H64N8O15S2	984.3933	NA	PeJP	NA	NA
+PJ115910	SSSNNQYW 	C42H56N12O16	984.3937	NA	PeJP	NA	NA
+PJ115911	GSSDDRYW 	C42H56N12O16	984.3938	NA	PeJP	NA	NA
+PJ115912	SSCDMMRR 	C35H64N14O13S3	984.394	NA	PeJP	NA	NA
+PJ115913	PPCLMMMY 	C43H68N8O10S4	984.3942	NA	PeJP	NA	NA
+PJ115914	CNNNNNHR 	C35H56N18O14S	984.3944	NA	PeJP	NA	NA
+PJ115915	GGCNNNNHR 	C35H56N18O14S	984.3945	NA	PeJP	NA	NA
+PJ115916	GPTCCRYW 	C43H60N12O11S2	984.3946	NA	PeJP	NA	NA
+PJ115917	GGGGACCKFW 	C43H60N12O11S2	984.3947	NA	PeJP	NA	NA
+PJ115918	NMYWWW 	C51H56N10O9S	984.3953	NA	PeJP	NA	NA
+PJ115919	TTLEEMMM 	C39H68N8O15S3	984.3967	NA	PeJP	NA	NA
+PJ115920	SSSSSCNKW 	C39H60N12O16S	984.3971	NA	PeJP	NA	NA
+PJ115921	GGGGGGSDKMY 	C39H60N12O16S	984.3972	NA	PeJP	NA	NA
+PJ115922	PTLMMMMM 	C40H72N8O10S5	984.3975	NA	PeJP	NA	NA
+PJ115923	SSQEYWW 	C47H56N10O14	984.3978	NA	PeJP	NA	NA
+PJ115924	GSSMMMRW 	C40H64N12O11S3	984.398	NA	PeJP	NA	NA
+PJ115925	GCNDHHFR 	C40H56N16O12S	984.3985	NA	PeJP	NA	NA
+PJ115926	VCNMFWW 	C48H60N10O9S2	984.3986	NA	PeJP	NA	NA
+PJ115927	PCCKYWW 	C48H60N10O9S2	984.3987	NA	PeJP	NA	NA
+PJ115928	SSSSSSSNDK 	C35H60N12O21	984.3996	NA	PeJP	NA	NA
+PJ115929	GSSSTEMMR 	C36H64N12O16S2	984.4005	NA	PeJP	NA	NA
+PJ115930	GDDDDHRR 	C36H56N16O17	984.401	NA	PeJP	NA	NA
+PJ115931	SSSTTMWW 	C44H60N10O14S	984.4011	NA	PeJP	NA	NA
+PJ115932	NDKEMYW 	C44H60N10O14S	984.4012	NA	PeJP	NA	NA
+PJ115933	GTQMMMMR 	C37H68N12O11S4	984.4014	NA	PeJP	NA	NA
+PJ115934	QYYYYW 	C52H56N8O12	984.4018	NA	PeJP	NA	NA
+PJ115935	GGGGGCCRRY 	C37H60N16O12S2	984.4019	NA	PeJP	NA	NA
+PJ115936	TCKMMWW 	C45H64N10O9S3	984.402	NA	PeJP	NA	NA
+PJ115937	NNMHHFW 	C45H56N14O10S	984.4025	NA	PeJP	NA	NA
+PJ115938	SSSSTTTEW 	C40H60N10O19	984.4036	NA	PeJP	NA	NA
+PJ115939	SSNKEEEY 	C40H60N10O19	984.4037	NA	PeJP	NA	NA
+PJ115940	SSSKEMMW 	C41H64N10O14S2	984.4045	NA	PeJP	NA	NA
+PJ115941	NDEEHRW 	C41H56N14O15	984.405	NA	PeJP	NA	NA
+PJ115942	PPEMYYW 	C49H60N8O12S	984.4052	NA	PeJP	NA	NA
+PJ115943	QKMMMMW 	C42H68N10O9S4	984.4054	NA	PeJP	NA	NA
+PJ115944	CCDFRRW 	C42H60N14O10S2	984.4059	NA	PeJP	NA	NA
+PJ115945	APCHWWW 	C50H56N12O8S	984.4065	NA	PeJP	NA	NA
+PJ115946	SSSSTKEEM 	C37H64N10O19S	984.407	NA	PeJP	NA	NA
+PJ115947	SSTTTYYY 	C45H60N8O17	984.4077	NA	PeJP	NA	NA
+PJ115948	STQKEMMM 	C38H68N10O14S3	984.4079	NA	PeJP	NA	NA
+PJ115949	GSCDERRY 	C38H60N14O15S	984.4084	NA	PeJP	NA	NA
+PJ115950	LEEMMFW 	C46H64N8O12S2	984.4085	NA	PeJP	NA	NA
+PJ115951	PPVCEMFY 	C46H64N8O12S2	984.4086	NA	PeJP	NA	NA
+PJ115952	AQEEHWW 	C46H56N12O13	984.409	NA	PeJP	NA	NA
+PJ115953	GPCCMRRY 	C39H64N14O10S3	984.4092	NA	PeJP	NA	NA
+PJ115954	GGPPCMMHR 	C39H64N14O10S3	984.4093	NA	PeJP	NA	NA
+PJ115955	GCMFRWW 	C47H60N12O8S2	984.4099	NA	PeJP	NA	NA
+PJ115956	SSSSSSSSNR 	C34H60N14O20	984.4109	NA	PeJP	NA	NA
+PJ115957	ATLEEEMY 	C42H64N8O17S	984.4111	NA	PeJP	NA	NA
+PJ115958	SSSSCCQKR 	C35H64N14O15S2	984.4117	NA	PeJP	NA	NA
+PJ115959	APLEMMMY 	C43H68N8O12S3	984.4119	NA	PeJP	NA	NA
+PJ115960	SNEMRYW 	C43H60N12O13S	984.4124	NA	PeJP	NA	NA
+PJ115961	GTCMMMRR 	C36H68N14O10S4	984.4126	NA	PeJP	NA	NA
+PJ115962	GSTYWWW 	C51H56N10O11	984.413	NA	PeJP	NA	NA
+PJ115963	GGGEFFWW 	C51H56N10O11	984.4131	NA	PeJP	NA	NA
+PJ115964	LMMMHHW 	C44H64N12O8S3	984.4133	NA	PeJP	NA	NA
+PJ115965	TMHHHHW 	C44H56N16O9S	984.4137	NA	PeJP	NA	NA
+PJ115966	SSSQEERY 	C39H60N12O18	984.4149	NA	PeJP	NA	NA
+PJ115967	SLLEMMMM 	C40H72N8O12S4	984.4153	NA	PeJP	NA	NA
+PJ115968	SSSTMMRW 	C40H64N12O13S2	984.4157	NA	PeJP	NA	NA
+PJ115969	GSSSCCKKW 	C40H64N12O13S2	984.4158	NA	PeJP	NA	NA
+PJ115970	GSNNDHRW 	C40H56N16O14	984.4162	NA	PeJP	NA	NA
+PJ115971	GGGGGSDHRW 	C40H56N16O14	984.4163	NA	PeJP	NA	NA
+PJ115972	GDKMYWW 	C48H60N10O11S	984.4164	NA	PeJP	NA	NA
+PJ115973	CKMMMRW 	C41H68N12O8S4	984.4166	NA	PeJP	NA	NA
+PJ115974	GVMMHHHH 	C41H60N16O9S2	984.4171	NA	PeJP	NA	NA
+PJ115975	GSHHHHHH 	C41H52N20O10	984.4176	NA	PeJP	NA	NA
+PJ115976	SSSSTTEMR 	C36H64N12O18S	984.4182	NA	PeJP	NA	NA
+PJ115977	SSSTTTDMR 	C36H64N12O18S	984.4183	NA	PeJP	NA	NA
+PJ115978	GSSKEEYW 	C44H60N10O16	984.4189	NA	PeJP	NA	NA
+PJ115979	SSDKMMMR 	C37H68N12O13S3	984.4191	NA	PeJP	NA	NA
+PJ115980	SPCDDHRR 	C37H60N16O14S	984.4196	NA	PeJP	NA	NA
+PJ115981	VQQMMYW 	C45H64N10O11S2	984.4198	NA	PeJP	NA	NA
+PJ115982	SNQQHWW 	C45H56N14O12	984.4202	NA	PeJP	NA	NA
+PJ115983	GDEHRWW 	C45H56N14O12	984.4203	NA	PeJP	NA	NA
+PJ115984	CQFFFFF 	C53H60N8O9S	984.4204	NA	PeJP	NA	NA
+PJ115985	ACCKMHHR 	C38H64N16O9S3	984.4205	NA	PeJP	NA	NA
+PJ115986	SSSSSTLMW 	C41H64N10O16S	984.4223	NA	PeJP	NA	NA
+PJ115987	PVEEYYW 	C49H60N8O14	984.4229	NA	PeJP	NA	NA
+PJ115988	GTTKMMMW 	C42H68N10O11S3	984.4232	NA	PeJP	NA	NA
+PJ115989	SCDRRYW 	C42H60N14O12S	984.4236	NA	PeJP	NA	NA
+PJ115990	GGGGGGGLMHW 	C42H60N14O12S	984.4237	NA	PeJP	NA	NA
+PJ115991	CKMFFFY 	C50H64N8O9S2	984.4238	NA	PeJP	NA	NA
+PJ115992	AAEHWWW 	C50H56N12O10	984.4243	NA	PeJP	NA	NA
+PJ115993	SSSSSSTTLE 	C37H64N10O21	984.4248	NA	PeJP	NA	NA
+PJ115994	ASSTTKEMM 	C38H68N10O16S2	984.4256	NA	PeJP	NA	NA
+PJ115995	GSTTTKEMM 	C38H68N10O16S2	984.4257	NA	PeJP	NA	NA
+PJ115996	SSSDDRRY 	C38H60N14O17	984.4261	NA	PeJP	NA	NA
+PJ115997	GGGGGSPPDER 	C38H60N14O17	984.4262	NA	PeJP	NA	NA
+PJ115998	SPPVEMYY 	C46H64N8O14S	984.4263	NA	PeJP	NA	NA
+PJ115999	GKKEMMMM 	C39H72N10O11S4	984.4265	NA	PeJP	NA	NA
+PJ116000	NDMMRRY 	C39H64N14O12S2	984.427	NA	PeJP	NA	NA
+PJ116001	PPCLMMFF 	C47H68N8O9S3	984.4272	NA	PeJP	NA	NA
+PJ116002	GNQQQHHH 	C39H56N18O13	984.4275	NA	PeJP	NA	NA
+PJ116003	GSMRYWW 	C47H60N12O10S	984.4276	NA	PeJP	NA	NA
+PJ116004	GAPTMHWW 	C47H60N12O10S	984.4277	NA	PeJP	NA	NA
+PJ116005	NFFWWW 	C55H56N10O8	984.4283	NA	PeJP	NA	NA
+PJ116006	TTTLEEEY 	C42H64N8O19	984.4288	NA	PeJP	NA	NA
+PJ116007	GSSSSSSCKR 	C35H64N14O17S	984.4295	NA	PeJP	NA	NA
+PJ116008	GLLEEMMY 	C43H68N8O14S2	984.4297	NA	PeJP	NA	NA
+PJ116009	GSSTERYW 	C43H60N12O15	984.4301	NA	PeJP	NA	NA
+PJ116010	GGGGSSSKYW 	C43H60N12O15	984.4302	NA	PeJP	NA	NA
+PJ116011	SSSMMMRR 	C36H68N14O12S3	984.4304	NA	PeJP	NA	NA
+PJ116012	PVVMMMMF 	C44H72N8O9S4	984.4306	NA	PeJP	NA	NA
+PJ116013	GCNNEHRR 	C36H60N18O13S	984.4308	NA	PeJP	NA	NA
+PJ116014	GGGCNEHRR 	C36H60N18O13S	984.4309	NA	PeJP	NA	NA
+PJ116015	AQMMRYW 	C44H64N12O10S2	984.431	NA	PeJP	NA	NA
+PJ116016	GSPQHHHW 	C44H56N16O11	984.4315	NA	PeJP	NA	NA
+PJ116017	AMHFFFW 	C52H60N10O8S	984.4317	NA	PeJP	NA	NA
+PJ116018	GSDKEMRY 	C40H64N12O15S	984.4335	NA	PeJP	NA	NA
+PJ116019	GGGGGGGPPLEM 	C40H64N12O15S	984.4336	NA	PeJP	NA	NA
+PJ116020	VVLMMMMM 	C41H76N8O9S5	984.4339	NA	PeJP	NA	NA
+PJ116021	SSKEYWW 	C48H60N10O13	984.4342	NA	PeJP	NA	NA
+PJ116022	SCCCKKKW 	C41H68N12O10S3	984.4344	NA	PeJP	NA	NA
+PJ116023	NNQMHRW 	C41H60N16O11S	984.4348	NA	PeJP	NA	NA
+PJ116024	GGNQMHRW 	C41H60N16O11S	984.4349	NA	PeJP	NA	NA
+PJ116025	GKMMFWW 	C49H64N10O8S2	984.435	NA	PeJP	NA	NA
+PJ116026	DHRWWW 	C49H56N14O9	984.4355	NA	PeJP	NA	NA
+PJ116027	SSSSSSSTQK 	C36H64N12O20	984.436	NA	PeJP	NA	NA
+PJ116028	SSSSSLMMR 	C37H68N12O15S2	984.4369	NA	PeJP	NA	NA
+PJ116029	GSTNNNNKH 	C37H60N16O16	984.4373	NA	PeJP	NA	NA
+PJ116030	GSDEEHRR 	C37H60N16O16	984.4374	NA	PeJP	NA	NA
+PJ116031	TQKEMYW 	C45H64N10O13S	984.4375	NA	PeJP	NA	NA
+PJ116032	GAPPPTEMW 	C45H64N10O13S	984.4376	NA	PeJP	NA	NA
+PJ116033	GTKMMMMR 	C38H72N12O10S4	984.4378	NA	PeJP	NA	NA
+PJ116034	KYYYYW 	C53H60N8O11	984.4382	NA	PeJP	NA	NA
+PJ116035	GGGAPCCKHR 	C38H64N16O11S2	984.4383	NA	PeJP	NA	NA
+PJ116036	GNNNHHHR 	C38H56N20O12	984.4387	NA	PeJP	NA	NA
+PJ116037	PTCHRWW 	C46H60N14O9S	984.4389	NA	PeJP	NA	NA
+PJ116038	SSTTTTTTW 	C41H64N10O18	984.44	NA	PeJP	NA	NA
+PJ116039	SLLEEEEH 	C41H64N10O18	984.4401	NA	PeJP	NA	NA
+PJ116040	STTTKMMW 	C42H68N10O13S2	984.4409	NA	PeJP	NA	NA
+PJ116041	TQEEHRW 	C42H60N14O14	984.4414	NA	PeJP	NA	NA
+PJ116042	AKMFYYY 	C50H64N8O11S	984.4415	NA	PeJP	NA	NA
+PJ116043	PLEMFYW 	C50H64N8O11S	984.4416	NA	PeJP	NA	NA
+PJ116044	KKMMMMW 	C43H72N10O8S4	984.4418	NA	PeJP	NA	NA
+PJ116045	ACMRRYW 	C43H64N14O9S2	984.4423	NA	PeJP	NA	NA
+PJ116046	DHHHHFR 	C43H56N18O10	984.4427	NA	PeJP	NA	NA
+PJ116047	SSTTTTKEM 	C38H68N10O18S	984.4434	NA	PeJP	NA	NA
+PJ116048	APTLEEYY 	C46H64N8O16	984.4441	NA	PeJP	NA	NA
+PJ116049	STKKEMMM 	C39H72N10O13S3	984.4443	NA	PeJP	NA	NA
+PJ116050	SSCNQKRY 	C39H64N14O14S	984.4447	NA	PeJP	NA	NA
+PJ116051	GSSEMRRY 	C39H64N14O14S	984.4448	NA	PeJP	NA	NA
+PJ116052	LLEMMYW 	C47H68N8O11S2	984.4449	NA	PeJP	NA	NA
+PJ116053	SSTRYWW 	C47H60N12O12	984.4454	NA	PeJP	NA	NA
+PJ116054	NMMMFRR 	C40H68N14O9S3	984.4456	NA	PeJP	NA	NA
+PJ116055	CNNHRRW 	C40H60N18O10S	984.4461	NA	PeJP	NA	NA
+PJ116056	STLLEEMY 	C43H68N8O16S	984.4474	NA	PeJP	NA	NA
+PJ116057	SSSSCCKKR 	C36H68N14O14S2	984.4481	NA	PeJP	NA	NA
+PJ116058	SPLLMMMY 	C44H72N8O11S3	984.4483	NA	PeJP	NA	NA
+PJ116059	SSNNDHRR 	C36H60N18O15	984.4486	NA	PeJP	NA	NA
+PJ116060	SDKMRYW 	C44H64N12O12S	984.4488	NA	PeJP	NA	NA
+PJ116061	PPVDWWW 	C52H60N10O10	984.4494	NA	PeJP	NA	NA
+PJ116062	SSSKEERY 	C40H64N12O17	984.4513	NA	PeJP	NA	NA
+PJ116063	QKEMMRY 	C41H68N12O12S2	984.4521	NA	PeJP	NA	NA
+PJ116064	GAKEMMRY 	C41H68N12O12S2	984.4522	NA	PeJP	NA	NA
+PJ116065	SDEHRRW 	C41H60N16O13	984.4526	NA	PeJP	NA	NA
+PJ116066	GGGGGGGGAPRW 	C41H60N16O13	984.4527	NA	PeJP	NA	NA
+PJ116067	ATKMYWW 	C49H64N10O10S	984.4528	NA	PeJP	NA	NA
+PJ116068	PCMHRRW 	C42H64N16O8S2	984.4535	NA	PeJP	NA	NA
+PJ116069	SSTTTTTMR 	C37H68N12O17S	984.4546	NA	PeJP	NA	NA
+PJ116070	GTTTKEYW 	C45H64N10O15	984.4553	NA	PeJP	NA	NA
+PJ116071	STTKMMMR 	C38H72N12O12S3	984.4555	NA	PeJP	NA	NA
+PJ116072	QEEMHRR 	C38H64N16O13S	984.456	NA	PeJP	NA	NA
+PJ116073	VQKMMYW 	C46H68N10O10S2	984.4562	NA	PeJP	NA	NA
+PJ116074	ATEHRWW 	C46H60N14O11	984.4566	NA	PeJP	NA	NA
+MJ099118	3,24-Dihydroxy-22-oxo-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H72O21	984.456609	NA	MeJP	NA	NA
+MJ099119	3-Hydroxy-11-oxo-12-oleanen-30-oic acid, 3-O-[?-D-Glucopyranuronosyl-(1?2)-?-D-glucuronopyranoside], ?-D-ucopyranosyl ester 	C48H72O21	984.456609	NA	MeJP	NA	NA
+PJ116075	GGGGTKHWW 	C46H60N14O11	984.4567	NA	PeJP	NA	NA
+PJ116076	CKFFFFF 	C54H64N8O8S	984.4568	NA	PeJP	NA	NA
+PJ116077	GTKKEEMY 	C42H68N10O15S	984.4587	NA	PeJP	NA	NA
+PJ116078	VLEEFYW 	C50H64N8O13	984.4593	NA	PeJP	NA	NA
+PJ116079	GPKKMMMY 	C43H72N10O10S3	984.4595	NA	PeJP	NA	NA
+PJ116080	GGALKMMMF 	C43H72N10O10S3	984.4596	NA	PeJP	NA	NA
+PJ116081	SSMRRYW 	C43H64N14O11S	984.46	NA	PeJP	NA	NA
+PJ116082	GTLHWWW 	C51H60N12O9	984.4607	NA	PeJP	NA	NA
+PJ116083	ASTTTTTTTT 	C38H68N10O20	984.4611	NA	PeJP	NA	NA
+PJ116084	SSSSTTTTTL 	C38H68N10O20	984.4612	NA	PeJP	NA	NA
+PJ116085	SSSTTLKMM 	C39H72N10O15S2	984.462	NA	PeJP	NA	NA
+PJ116086	SSSTERRY 	C39H64N14O16	984.4625	NA	PeJP	NA	NA
+PJ116087	GGGGGGGGAPVDK 	C39H64N14O16	984.4626	NA	PeJP	NA	NA
+PJ116088	GPLLEMYY 	C47H68N8O13S	984.4627	NA	PeJP	NA	NA
+PJ116089	SVKKMMMM 	C40H76N10O10S4	984.4629	NA	PeJP	NA	NA
+PJ116090	TQMMRRY 	C40H68N14O11S2	984.4634	NA	PeJP	NA	NA
+PJ116091	AAQEHHHR 	C40H60N18O12	984.4639	NA	PeJP	NA	NA
+PJ116092	PTKMHWW 	C48H64N12O9S	984.464	NA	PeJP	NA	NA
+PJ116093	SVLLEMMY 	C44H72N8O13S2	984.4661	NA	PeJP	NA	NA
+PJ116094	SSSSLRYW 	C44H64N12O14	984.4665	NA	PeJP	NA	NA
+PJ116095	GGGGPPTKEW 	C44H64N12O14	984.4666	NA	PeJP	NA	NA
+PJ116096	DDMHRRR 	C37H64N18O12S	984.4672	NA	PeJP	NA	NA
+PJ116097	AKMMRYW 	C45H68N12O9S2	984.4674	NA	PeJP	NA	NA
+PJ116098	GSPKHHHW 	C45H60N16O10	984.4679	NA	PeJP	NA	NA
+PJ116099	GTTKEMRY 	C41H68N12O14S	984.4699	NA	PeJP	NA	NA
+PJ116100	TTTKYWW 	C49H64N10O12	984.4705	NA	PeJP	NA	NA
+PJ116101	GPPTLEWW 	C49H64N10O12	984.4706	NA	PeJP	NA	NA
+PJ116102	AAKMMMFR 	C42H72N12O9S3	984.4708	NA	PeJP	NA	NA
+PJ116103	VCEHRRW 	C42H64N16O10S	984.4712	NA	PeJP	NA	NA
+PJ116104	AEMHRRW 	C42H64N16O10S	984.4713	NA	PeJP	NA	NA
+PJ116105	GPHFRWW 	C50H60N14O8	984.4719	NA	PeJP	NA	NA
+PJ116106	SSSSSSSTKK 	C37H68N12O19	984.4724	NA	PeJP	NA	NA
+PJ116107	SSSSCKKKM 	C38H72N12O14S2	984.4733	NA	PeJP	NA	NA
+PJ116108	SSVDEHRR 	C38H64N16O15	984.4737	NA	PeJP	NA	NA
+PJ116109	GTTEEHRR 	C38H64N16O15	984.4738	NA	PeJP	NA	NA
+PJ116110	TKKEMYW 	C46H68N10O12S	984.4739	NA	PeJP	NA	NA
+PJ116111	PPLFYYW 	C54H64N8O10	984.4746	NA	PeJP	NA	NA
+PJ116112	NEHHHRR 	C39H60N20O11	984.4751	NA	PeJP	NA	NA
+PJ116113	GLMHRWW 	C47H64N14O8S	984.4753	NA	PeJP	NA	NA
+PJ116114	STTKKEEY 	C42H68N10O17	984.4764	NA	PeJP	NA	NA
+PJ116115	GGAAPLLEEE 	C42H68N10O17	984.4765	NA	PeJP	NA	NA
+PJ116116	GVKKEMMY 	C43H72N10O12S2	984.4773	NA	PeJP	NA	NA
+PJ116117	TKEEHRW 	C43H64N14O13	984.4778	NA	PeJP	NA	NA
+PJ116118	PLLMYYW 	C51H68N8O10S	984.4779	NA	PeJP	NA	NA
+PJ116119	LLEMFFW 	C51H68N8O10S	984.478	NA	PeJP	NA	NA
+PJ116120	GSCNHRRR 	C36H64N20O11S	984.4785	NA	PeJP	NA	NA
+PJ116121	PKMMHRW 	C44H68N14O8S2	984.4786	NA	PeJP	NA	NA
+PJ116122	VNHHHRW 	C44H60N18O9	984.4791	NA	PeJP	NA	NA
+PJ116123	TTTTTTTKM 	C39H72N10O17S	984.4798	NA	PeJP	NA	NA
+PJ116124	AVVLEEYY 	C47H68N8O15	984.4804	NA	PeJP	NA	NA
+PJ116125	GVLLEEYY 	C47H68N8O15	984.4805	NA	PeJP	NA	NA
+PJ116126	GTTTMRRY 	C40H68N14O13S	984.4811	NA	PeJP	NA	NA
+PJ116127	APPEEMRR 	C40H68N14O13S	984.4812	NA	PeJP	NA	NA
+PJ116128	APLLMMFY 	C48H72N8O10S2	984.4813	NA	PeJP	NA	NA
+PJ116129	SLKEHWW 	C48H64N12O11	984.4818	NA	PeJP	NA	NA
+PJ116130	APCKHHHR 	C41H64N18O9S	984.4825	NA	PeJP	NA	NA
+PJ116131	ALLLMMMY 	C45H76N8O10S3	984.4847	NA	PeJP	NA	NA
+PJ116132	GPNDDRRR 	C37H64N18O14	984.485	NA	PeJP	NA	NA
+PJ116133	TTKMRYW 	C45H68N12O11S	984.4852	NA	PeJP	NA	NA
+PJ116134	PPTLWWW 	C53H64N10O9	984.4858	NA	PeJP	NA	NA
+PJ116135	ASSSTTLRY 	C41H68N12O16	984.4876	NA	PeJP	NA	NA
+PJ116136	STTTKERY 	C41H68N12O16	984.4877	NA	PeJP	NA	NA
+PJ116137	KKEMMRY 	C42H72N12O11S2	984.4885	NA	PeJP	NA	NA
+PJ116138	GGGGLLLMMH 	C42H72N12O11S2	984.4886	NA	PeJP	NA	NA
+PJ116139	TTEHRRW 	C42H64N16O12	984.489	NA	PeJP	NA	NA
+PJ116140	GPPVLMWW 	C50H68N10O9S	984.4892	NA	PeJP	NA	NA
+PJ116141	GHHHRRW 	C43H60N20O8	984.4904	NA	PeJP	NA	NA
+PJ116142	SSTTLKYW 	C46H68N10O14	984.4917	NA	PeJP	NA	NA
+PJ116143	KEEMHRR 	C39H68N16O12S	984.4924	NA	PeJP	NA	NA
+PJ116144	VKKMMYW 	C47H72N10O9S2	984.4926	NA	PeJP	NA	NA
+MJ099120	12-Oleanene-3,22,24,30-tetrol, 30-Carboxylic acid, 3-O-[?-L-rhamnopyranosyl-(1?2)-?-D-xylopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-Ac 	C49H76O20	984.492994	NA	MeJP	NA	NA
+MJ099121	3,12,14-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C49H76O20	984.492994	NA	MeJP	NA	NA
+MJ099122	3,14,16-Trihydroxycard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C49H76O20	984.492994	NA	MeJP	NA	NA
+MJ099123	Jujubogenin; 3-O-[5-O-(Carboxyacetyl)-?-L-arabinofuranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C49H76O20	984.492994	NA	MeJP	NA	NA
+MJ099124	Spirost-5-ene-1,3-diol, 1-O-[?-D-Glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?2)-4,6-di-O-acetyl-?-D-galactopyranoside] 	C49H76O20	984.492994	NA	MeJP	NA	NA
+PJ116145	STLHRWW 	C47H64N14O10	984.493	NA	PeJP	NA	NA
+PJ116146	SSLKKEMY 	C43H72N10O14S	984.495	NA	PeJP	NA	NA
+PJ116147	STLDKKMY 	C43H72N10O14S	984.4951	NA	PeJP	NA	NA
+PJ116148	VLLEYYW 	C51H68N8O12	984.4957	NA	PeJP	NA	NA
+PJ116149	GLKKMMMF 	C44H76N10O9S3	984.4959	NA	PeJP	NA	NA
+PJ116150	VKEMHRW 	C44H68N14O10S	984.4964	NA	PeJP	NA	NA
+PJ116151	KFRYWW 	C52H64N12O8	984.497	NA	PeJP	NA	NA
+PJ116152	PPPFRWW 	C52H64N12O8	984.4971	NA	PeJP	NA	NA
+PJ116153	STTTTRRY 	C40H68N14O15	984.4989	NA	PeJP	NA	NA
+PJ116154	SPVLLMYY 	C48H72N8O12S	984.4991	NA	PeJP	NA	NA
+PJ116155	TKMMRRY 	C41H72N14O10S2	984.4998	NA	PeJP	NA	NA
+PJ116156	NQQHFRR 	C41H64N18O11	984.5002	NA	PeJP	NA	NA
+PJ116157	GGGAQHFRR 	C41H64N18O11	984.5003	NA	PeJP	NA	NA
+PJ116158	PPLMRWW 	C49H68N12O8S	984.5004	NA	PeJP	NA	NA
+PJ116159	TTLLLMMY 	C45H76N8O12S2	984.5024	NA	PeJP	NA	NA
+PJ116160	GPVLEERW 	C45H68N12O13	984.5029	NA	PeJP	NA	NA
+PJ116161	GGGGGGGPPLLF 	C45H68N12O13	984.503	NA	PeJP	NA	NA
+PJ116162	TEMHRRR 	C38H68N18O11S	984.5036	NA	PeJP	NA	NA
+PJ116163	GPQRRWW 	C46H64N16O9	984.5043	NA	PeJP	NA	NA
+PJ116164	SSTLKMRY 	C42H72N12O13S	984.5063	NA	PeJP	NA	NA
+PJ116165	AAPLLEWW 	C50H68N10O11	984.5069	NA	PeJP	NA	NA
+PJ116166	AAPILEWW 	C50H68N10O11	984.507	NA	PeJP	NA	NA
+PJ116167	SLMHRRW 	C43H68N16O9S	984.5076	NA	PeJP	NA	NA
+PJ116168	SSTLEHRR 	C39H68N16O14	984.5101	NA	PeJP	NA	NA
+PJ116169	GGGPKEERR 	C39H68N16O14	984.5102	NA	PeJP	NA	NA
+PJ116170	PPVVKEMW 	C47H72N10O11S	984.5103	NA	PeJP	NA	NA
+PJ116171	PLLFFYW 	C55H68N8O9	984.511	NA	PeJP	NA	NA
+PJ116172	DKHHHRR 	C40H64N20O10	984.5115	NA	PeJP	NA	NA
+PJ116173	SSSSTLLKY 	C43H72N10O16	984.5128	NA	PeJP	NA	NA
+PJ116174	ATLKKMMY 	C44H76N10O11S2	984.5137	NA	PeJP	NA	NA
+PJ116175	ATTTLHRW 	C44H68N14O12	984.5141	NA	PeJP	NA	NA
+PJ116176	PLEERRW 	C44H68N14O12	984.5142	NA	PeJP	NA	NA
+PJ116177	LLLMFYW 	C52H72N8O9S	984.5143	NA	PeJP	NA	NA
+PJ116178	PPHHRRW 	C45H64N18O8	984.5155	NA	PeJP	NA	NA
+PJ116179	ATLLLEYY 	C48H72N8O14	984.5168	NA	PeJP	NA	NA
+PJ116180	SPPLEMRR 	C41H72N14O12S	984.5175	NA	PeJP	NA	NA
+PJ116181	GGGGGAPLLMR 	C41H72N14O12S	984.5176	NA	PeJP	NA	NA
+PJ116182	ALLLMMFF 	C49H76N8O9S2	984.5177	NA	PeJP	NA	NA
+PJ116183	PVLERWW 	C49H68N12O10	984.5182	NA	PeJP	NA	NA
+PJ116184	GSPQERRR 	C38H68N18O13	984.5214	NA	PeJP	NA	NA
+PJ116185	PKKMRYY 	C46H72N12O10S	984.5215	NA	PeJP	NA	NA
+PJ116186	SPPVLMRW 	C46H72N12O10S	984.5216	NA	PeJP	NA	NA
+PJ116187	PVVLWWW 	C54H68N10O8	984.5222	NA	PeJP	NA	NA
+PJ116188	SHHHRRR 	C39H64N22O9	984.5227	NA	PeJP	NA	NA
+PJ116189	GSSSTKKKY 	C42H72N12O15	984.524	NA	PeJP	NA	NA
+PJ116190	PVVKEEER 	C42H72N12O15	984.5241	NA	PeJP	NA	NA
+PJ116191	GCKKKKMY 	C43H76N12O10S2	984.5249	NA	PeJP	NA	NA
+PJ116192	PNKERRW 	C43H68N16O11	984.5254	NA	PeJP	NA	NA
+PJ116193	VKKMFFW 	C51H72N10O8S	984.5256	NA	PeJP	NA	NA
+PJ116194	APLLKEEW 	C47H72N10O13	984.5281	NA	PeJP	NA	NA
+PJ116195	ATTLMHRR 	C40H72N16O11S	984.5288	NA	PeJP	NA	NA
+MJ099125	12-Oleanene-3,22,24-triol, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside], 22-Ac 	C50H80O19	984.52938	NA	MeJP	NA	NA
+MJ099126	13,28-Epoxy-11-oleanene-3,16,23-triol, 23-Ac, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C50H80O19	984.52938	NA	MeJP	NA	NA
+MJ099127	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C50H80O19	984.52938	NA	MeJP	NA	NA
+MJ099128	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester 	C50H80O19	984.52938	NA	MeJP	NA	NA
+PJ116196	PVNKRWW 	C48H68N14O9	984.5294	NA	PeJP	NA	NA
+PJ116197	TTTLKKMY 	C44H76N10O13S	984.5314	NA	PeJP	NA	NA
+PJ116198	ASPPLLKEM 	C44H76N10O13S	984.5315	NA	PeJP	NA	NA
+PJ116199	GPLLLFYY 	C52H72N8O11	984.5321	NA	PeJP	NA	NA
+PJ116200	NQQQRRR 	C37H68N20O12	984.5326	NA	PeJP	NA	NA
+PJ116201	APPCKKRW 	C45H72N14O9S	984.5328	NA	PeJP	NA	NA
+PJ116202	SPVLEERR 	C41H72N14O14	984.5353	NA	PeJP	NA	NA
+PJ116203	GLLLLMYY 	C49H76N8O11S	984.5355	NA	PeJP	NA	NA
+PJ116204	PPVVMMRR 	C42H76N14O9S2	984.5362	NA	PeJP	NA	NA
+PJ116205	SPQRRRW 	C42H68N18O10	984.5366	NA	PeJP	NA	NA
+PJ116206	APTLLERW 	C46H72N12O12	984.5393	NA	PeJP	NA	NA
+PJ116207	AAPQMRRR 	C39H72N18O10S	984.54	NA	PeJP	NA	NA
+PJ116208	GPKRRWW 	C47H68N16O8	984.5407	NA	PeJP	NA	NA
+PJ116209	STCKKKKY 	C43H76N12O12S	984.5427	NA	PeJP	NA	NA
+PJ116210	GPTLLLWW 	C51H72N10O10	984.5433	NA	PeJP	NA	NA
+PJ116211	NNNRRRR 	C36H68N22O11	984.5438	NA	PeJP	NA	NA
+PJ116212	GGGGNRRRR 	C36H68N22O11	984.5439	NA	PeJP	NA	NA
+PJ116213	CKKKHRW 	C44H72N16O8S	984.544	NA	PeJP	NA	NA
+PJ116214	TTTTLHRR 	C40H72N16O13	984.5465	NA	PeJP	NA	NA
+PJ116215	GGGGGGGGLLKR 	C40H72N16O13	984.5466	NA	PeJP	NA	NA
+PJ116216	PPTLLKMW 	C48H76N10O10S	984.5467	NA	PeJP	NA	NA
+MJ099129	Fungisporin 	C56H72N8O8	984.547311	NA	MeJP	NA	NA
+PJ116217	LLLFFFW 	C56H72N8O8	984.5474	NA	PeJP	NA	NA
+PJ116218	PLLKKEEE 	C44H76N10O15	984.5492	NA	PeJP	NA	NA
+PJ116219	GPPVLLKMM 	C45H80N10O10S2	984.5501	NA	PeJP	NA	NA
+PJ116220	AAPKKERW 	C45H72N14O11	984.5505	NA	PeJP	NA	NA
+PJ116221	GPVDKKRW 	C45H72N14O11	984.5506	NA	PeJP	NA	NA
+PJ116222	PNMRRRR 	C38H72N20O9S	984.5512	NA	PeJP	NA	NA
+PJ116223	STLLLLYY 	C49H76N8O13	984.5532	NA	PeJP	NA	NA
+PJ116224	APLLEMRR 	C42H76N14O11S	984.5539	NA	PeJP	NA	NA
+PJ116225	PLQKKWW 	C50H72N12O9	984.5546	NA	PeJP	NA	NA
+PJ116226	AAQQQKRR 	C39H72N18O12	984.5577	NA	PeJP	NA	NA
+PJ116227	GSPKERRR 	C39H72N18O12	984.5578	NA	PeJP	NA	NA
+PJ116228	GPLLLMRW 	C47H76N12O9S	984.5579	NA	PeJP	NA	NA
+PJ116229	PTLLKEER 	C43H76N12O14	984.5604	NA	PeJP	NA	NA
+PJ116230	GGVLLLEER 	C43H76N12O14	984.5605	NA	PeJP	NA	NA
+PJ116231	PPLLKMMR 	C44H80N12O9S2	984.5613	NA	PeJP	NA	NA
+PJ116232	PDKKRRW 	C44H72N16O10	984.5618	NA	PeJP	NA	NA
+PJ116233	SPLLLKEW 	C48H76N10O12	984.5645	NA	PeJP	NA	NA
+PJ116234	ASKKKMHR 	C41H76N16O10S	984.5651	NA	PeJP	NA	NA
+PJ116235	GPLQKMRR 	C41H76N16O10S	984.5652	NA	PeJP	NA	NA
+PJ116236	VLKHFRW 	C49H72N14O8	984.5658	NA	PeJP	NA	NA
+PJ116237	AAPLLLKEM 	C45H80N10O12S	984.5678	NA	PeJP	NA	NA
+PJ116238	GLLLLFFY 	C53H76N8O10	984.5685	NA	PeJP	NA	NA
+PJ116239	VNERRRR 	C38H72N20O11	984.569	NA	PeJP	NA	NA
+PJ116240	KKKKMHW 	C46H76N14O8S	984.5692	NA	PeJP	NA	NA
+PJ116241	GLLLEERR 	C42H76N14O13	984.5717	NA	PeJP	NA	NA
+PJ116242	SPKRRRW 	C43H72N18O9	984.573	NA	PeJP	NA	NA
+PJ116243	GVLLLERW 	C47H76N12O11	984.5757	NA	PeJP	NA	NA
+PJ116244	AAPKMRRR 	C40H76N18O9S	984.5764	NA	PeJP	NA	NA
+PJ116245	PVLLKEMR 	C44H80N12O11S	984.5791	NA	PeJP	NA	NA
+PJ116246	AALLLLWW 	C52H76N10O9	984.5797	NA	PeJP	NA	NA
+PJ116247	GERRRRR 	C37H72N22O10	984.5802	NA	PeJP	NA	NA
+PJ116248	APTKKERR 	C41H76N16O12	984.5829	NA	PeJP	NA	NA
+PJ116249	PVVLLKMW 	C49H80N10O9S	984.5831	NA	PeJP	NA	NA
+PJ116250	GVRRRRW 	C42H72N20O8	984.5843	NA	PeJP	NA	NA
+PJ116251	LLLLQKEE 	C45H80N10O14	984.5856	NA	PeJP	NA	NA
+PJ116252	LLLERRW 	C46H76N14O10	984.5869	NA	PeJP	NA	NA
+MJ099130	Dolastatin 11 	C50H80N8O12	984.58957	NA	MeJP	NA	NA
+MJ099131	Majusculamide C 	C50H80N8O12	984.58957	NA	MeJP	NA	NA
+PJ116253	SPLLLMRR 	C43H80N14O10S	984.5903	NA	PeJP	NA	NA
+PJ116254	VLLLRWW 	C51H76N12O8	984.591	NA	PeJP	NA	NA
+PJ116255	LQKERRR 	C40H76N18O11	984.5941	NA	PeJP	NA	NA
+PJ116256	AAVKERRR 	C40H76N18O11	984.5942	NA	PeJP	NA	NA
+PJ116257	RRRRRW 	C41H72N22O7	984.5955	NA	PeJP	NA	NA
+PJ116258	VVLLKEER 	C44H80N12O13	984.5968	NA	PeJP	NA	NA
+PJ116259	VLQKRRW 	C45H76N16O9	984.5982	NA	PeJP	NA	NA
+PJ116260	VVVLLKEW 	C49H80N10O11	984.6008	NA	PeJP	NA	NA
+PJ116261	ALLLLKEW 	C49H80N10O11	984.6009	NA	PeJP	NA	NA
+PJ116262	GPLKKMRR 	C42H80N16O9S	984.6015	NA	PeJP	NA	NA
+PJ116263	GPTLLLLKM 	C46H84N10O11S	984.6042	NA	PeJP	NA	NA
+PJ116264	VDKRRRR 	C39H76N20O10	984.6054	NA	PeJP	NA	NA
+PJ116265	VVQQQKKK 	C43H80N14O12	984.608	NA	PeJP	NA	NA
+PJ116266	SVLLLERR 	C43H80N14O12	984.6081	NA	PeJP	NA	NA
+PJ116267	ALKRRRW 	C44H76N18O8	984.6094	NA	PeJP	NA	NA
+PJ116268	ATLLLLRW 	C48H80N12O10	984.6121	NA	PeJP	NA	NA
+PJ116269	VLLLLQMR 	C45H84N12O10S	984.6155	NA	PeJP	NA	NA
+PJ116270	SVRRRRR 	C38H76N22O9	984.6166	NA	PeJP	NA	NA
+PJ116271	GVLKKERR 	C42H80N16O11	984.6193	NA	PeJP	NA	NA
+PJ116272	LLLLKKEE 	C46H84N10O13	984.622	NA	PeJP	NA	NA
+PJ116273	AALLKKRW 	C47H80N14O9	984.6233	NA	PeJP	NA	NA
+PJ116274	ALLLLMRR 	C44H84N14O9S	984.6267	NA	PeJP	NA	NA
+PJ116275	LKKERRR 	C41H80N18O10	984.6305	NA	PeJP	NA	NA
+PJ116276	TLLLLKER 	C45H84N12O12	984.6332	NA	PeJP	NA	NA
+PJ116277	VLKKRRW 	C46H80N16O8	984.6346	NA	PeJP	NA	NA
+PJ116278	SLLLLLKW 	C50H84N10O10	984.6372	NA	PeJP	NA	NA
+PJ116279	AALLLLLKM 	C47H88N10O10S	984.6406	NA	PeJP	NA	NA
+PJ116280	TLKRRRR 	C40H80N20O9	984.6418	NA	PeJP	NA	NA
+PJ116281	TTLLLLRR 	C44H84N14O11	984.6444	NA	PeJP	NA	NA
+PJ116282	VVLDKKKR 	C44H84N14O11	984.6445	NA	PeJP	NA	NA
+PJ116283	GLLLKKKW 	C49H84N12O9	984.6485	NA	PeJP	NA	NA
+PJ116284	VLLLLKMR 	C46H88N12O9S	984.6518	NA	PeJP	NA	NA
+PJ116285	ATLLKKRR 	C43H84N16O10	984.6557	NA	PeJP	NA	NA
+PJ116286	ATTLLLLLK 	C47H88N10O12	984.6584	NA	PeJP	NA	NA
+PJ116287	AAKKKKRR 	C42H84N18O9	984.6669	NA	PeJP	NA	NA
+PJ116288	VLLKKKKE 	C46H88N12O11	984.6696	NA	PeJP	NA	NA
+PJ116289	SLLLKKKR 	C45H88N14O10	984.6808	NA	PeJP	NA	NA
+PJ116290	GLKKKKKR 	C44H88N16O9	984.6921	NA	PeJP	NA	NA
+PJ116291	VVKKKKKK 	C46H92N14O9	984.7172	NA	PeJP	NA	NA
+PJ116292	CCCCCCCDM 	C30H51N9O12S8	985.1423	NA	PeJP	NA	NA
+C17741	Feruloyl-diketide-CoA	C33H46N7O20P3S	985.1731	NA	KEGG	NA	NA
+PJ116293	SCCCCCCMM 	C31H55N9O11S8	985.1787	NA	PeJP	NA	NA
+PJ116294	GCCCCCCEY 	C34H51N9O13S6	985.1931	NA	PeJP	NA	NA
+PJ116295	PCCCCCCDH 	C33H51N11O12S6	985.2043	NA	PeJP	NA	NA
+PJ116296	CCCCCCYW 	C38H51N9O10S6	985.2084	NA	PeJP	NA	NA
+PJ116297	SSCCCCCDY 	C34H51N9O15S5	985.2108	NA	PeJP	NA	NA
+PJ116298	ACCCCCCMF 	C35H55N9O10S7	985.2117	NA	PeJP	NA	NA
+PJ116299	GCCCCDDMH 	C33H51N11O14S5	985.2221	NA	PeJP	NA	NA
+PJ116300	GCCDDDDDE 	C33H47N9O22S2	985.2278	NA	PeJP	NA	NA
+PJ116301	GTCCCCCMY 	C35H55N9O12S6	985.2295	NA	PeJP	NA	NA
+PJ116302	SCCCCCNNH 	C32H51N13O13S5	985.2333	NA	PeJP	NA	NA
+PJ116303	CCCCCEHW 	C37H51N11O11S5	985.2374	NA	PeJP	NA	NA
+PJ116304	SSCCCCDEH 	C33H51N11O16S4	985.2398	NA	PeJP	NA	NA
+PJ116305	PCCCCNNDD 	C33H51N11O16S4	985.2399	NA	PeJP	NA	NA
+PJ116306	SPCCCCCMH 	C34H55N11O11S6	985.2407	NA	PeJP	NA	NA
+PJ116307	CCDDDDDW 	C37H47N9O19S2	985.243	NA	PeJP	NA	NA
+PJ116308	CCCCNDYY 	C38H51N9O14S4	985.2439	NA	PeJP	NA	NA
+PJ116309	SSCDDDDDD 	C33H47N9O24S	985.2455	NA	PeJP	NA	NA
+C16336	trans-2-Enoyl-OPC4-CoA	C35H54N7O18P3S	985.2459	NA	KEGG	NA	NA
+HMDB11120	trans-2-Enoyl-OPC4-CoA	C35H54N7O18P3S	985.245911	NA	HMDB2010	NA	NA
+PJ116310	SPCCCDDDE 	C34H51N9O19S3	985.2464	NA	PeJP	NA	NA
+PJ116311	SSSCCCCMY 	C35H55N9O14S5	985.2472	NA	PeJP	NA	NA
+PJ116312	PPCCCCDDM 	C35H55N9O14S5	985.2473	NA	PeJP	NA	NA
+PJ116313	GCCNNDDDM 	C33H51N11O18S3	985.2576	NA	PeJP	NA	NA
+PJ116314	GSCCCDMMH 	C34H55N11O13S5	985.2585	NA	PeJP	NA	NA
+PJ116315	CCCCNMFY 	C39H55N9O11S5	985.2625	NA	PeJP	NA	NA
+PJ116316	GSCDDDDEM 	C34H51N9O21S2	985.2641	NA	PeJP	NA	NA
+PJ116317	GPCCDDDMM 	C35H55N9O16S4	985.265	NA	PeJP	NA	NA
+PJ116318	SCCCNNNND 	C32H51N13O17S3	985.2688	NA	PeJP	NA	NA
+PJ116319	GGGGSCCCNND 	C32H51N13O17S3	985.2689	NA	PeJP	NA	NA
+PJ116320	CCCNNDEW 	C37H51N11O15S3	985.2729	NA	PeJP	NA	NA
+PJ116321	TCCCCMHW 	C38H55N11O10S5	985.2737	NA	PeJP	NA	NA
+PJ116322	SSCCNNDDE 	C33H51N11O20S2	985.2754	NA	PeJP	NA	NA
+PJ116323	SSSCCCEMH 	C34H55N11O15S4	985.2762	NA	PeJP	NA	NA
+PJ116324	CCCQMMMH 	C35H59N11O10S6	985.2771	NA	PeJP	NA	NA
+PJ116325	GSCCCCHHH 	C35H51N15O11S4	985.2776	NA	PeJP	NA	NA
+PJ116326	NDDDDDDY 	C37H47N9O23	985.2785	NA	PeJP	NA	NA
+PJ116327	SCDDDDMW 	C38H51N9O18S2	985.2794	NA	PeJP	NA	NA
+PJ116328	SCCCNMYY 	C39H55N9O13S4	985.2802	NA	PeJP	NA	NA
+PJ116329	PCCCDEMW 	C39H55N9O13S4	985.2803	NA	PeJP	NA	NA
+PJ116330	SSSDDDDDM 	C34H51N9O23S	985.2819	NA	PeJP	NA	NA
+C02030	Farnesoyl-CoA	C36H58N7O17P3S	985.2823	NA	KEGG	NA	NA
+C02031	G(5')pppR-RNA	C20H31N5O23P4R2	985.2823	NA	KEGG	NA	NA
+PJ116331	NDDDDMMM 	C35H55N9O18S3	985.2828	NA	PeJP	NA	NA
+PJ116332	SPPCCCDMM 	C36H59N9O13S5	985.2836	NA	PeJP	NA	NA
+PJ116333	GPCCCDDHH 	C36H51N13O14S3	985.2841	NA	PeJP	NA	NA
+PJ116334	GCCCNNNQM 	C33H55N13O14S4	985.2875	NA	PeJP	NA	NA
+PJ116335	GCCCNDWW 	C41H51N11O12S3	985.2881	NA	PeJP	NA	NA
+PJ116336	CCCCMMHR 	C34H59N13O9S6	985.2883	NA	PeJP	NA	NA
+PJ116337	GSSCCNDDW 	C37H51N11O17S2	985.2906	NA	PeJP	NA	NA
+PJ116338	GSPCCCCQW 	C38H55N11O12S4	985.2915	NA	PeJP	NA	NA
+PJ116339	GSSSSCNDDD 	C33H51N11O22S	985.2931	NA	PeJP	NA	NA
+PJ116340	CCDDDEMR 	C34H55N11O17S3	985.294	NA	PeJP	NA	NA
+PJ116341	GSSCCMMMH 	C35H59N11O12S5	985.2949	NA	PeJP	NA	NA
+PJ116342	CCCCNFFF 	C43H55N9O10S4	985.2955	NA	PeJP	NA	NA
+PJ116343	GSPCDDDDY 	C38H51N9O20S	985.2972	NA	PeJP	NA	NA
+PJ116344	GCDDEMMW 	C39H55N9O15S3	985.298	NA	PeJP	NA	NA
+PJ116345	GCCCCNNNR 	C32H55N15O13S4	985.2987	NA	PeJP	NA	NA
+PJ116346	GSSDDDEMM 	C35H55N9O20S2	985.3005	NA	PeJP	NA	NA
+PJ116347	GSPCDDMMM 	C36H59N9O15S4	985.3014	NA	PeJP	NA	NA
+PJ116348	CNDDDMHH 	C36H51N13O16S2	985.3019	NA	PeJP	NA	NA
+PJ116349	APPCCCMMM 	C37H63N9O10S6	985.3023	NA	PeJP	NA	NA
+PJ116350	CCCCDHFR 	C37H55N13O11S4	985.3027	NA	PeJP	NA	NA
+HMDB06485	10-formyldihydrofolate	C40H47N11O19	985.30499	http://www.hmdb.ca/metabolites/HMDB06485	HMDB	NA	NA
+HMDB06485	10-formyldihydrofolate	C40H47N11O19	985.30499	HMDB06485	PFEM_hmdb_metabocards_official	NA	NA
+PJ116351	GSCCCNDER 	C33H55N13O16S3	985.3052	NA	PeJP	NA	NA
+PJ116352	GGGGGGGGSSCCM 	C33H55N13O16S3	985.3053	NA	PeJP	NA	NA
+PJ116353	GPCCCCNMR 	C34H59N13O11S5	985.3061	NA	PeJP	NA	NA
+PJ116354	GCCCMHFW 	C42H55N11O9S4	985.3068	NA	PeJP	NA	NA
+PJ116355	CNNNDDEY 	C37H51N11O19S	985.3084	NA	PeJP	NA	NA
+PJ116356	SCCNNEMW 	C38H55N11O14S3	985.3092	NA	PeJP	NA	NA
+PJ116357	GGGGSCCEMW 	C38H55N11O14S3	985.3093	NA	PeJP	NA	NA
+PJ116358	SSSCNNDEM 	C34H55N11O19S2	985.3117	NA	PeJP	NA	NA
+PJ116359	GGSSSCNDEM 	C34H55N11O19S2	985.3118	NA	PeJP	NA	NA
+PJ116360	GCDDDEFW 	C42H51N9O17S	985.3124	NA	PeJP	NA	NA
+PJ116361	SSSTCCMMH 	C35H59N11O14S4	985.3126	NA	PeJP	NA	NA
+PJ116362	GSCCNNDHH 	C35H51N15O15S2	985.3131	NA	PeJP	NA	NA
+PJ116363	CDDMMWW 	C43H55N9O12S3	985.3133	NA	PeJP	NA	NA
+PJ116364	CCCKMMMH 	C36H63N11O9S6	985.3135	NA	PeJP	NA	NA
+PJ116365	SNDDDEEY 	C38H51N9O22	985.3149	NA	PeJP	NA	NA
+PJ116366	SSDDDMMW 	C39H55N9O17S2	985.3158	NA	PeJP	NA	NA
+PJ116367	SPCCEMMW 	C40H59N9O12S4	985.3166	NA	PeJP	NA	NA
+PJ116368	GPPCCCEMF 	C40H59N9O12S4	985.3167	NA	PeJP	NA	NA
+PJ116369	GCCDEHHW 	C40H51N13O13S2	985.3171	NA	PeJP	NA	NA
+PJ116370	SSSSDDEEM 	C35H55N9O22S	985.3183	NA	PeJP	NA	NA
+PJ116371	SNDEEMMM 	C36H59N9O17S3	985.3191	NA	PeJP	NA	NA
+PJ116372	GGSDEEMMM 	C36H59N9O17S3	985.3192	NA	PeJP	NA	NA
+PJ116373	GSSCDDEHH 	C36H51N13O18S	985.3196	NA	PeJP	NA	NA
+PJ116374	CDEMYYY 	C44H55N7O15S2	985.3198	NA	PeJP	NA	NA
+PJ116375	PCNEMMMM 	C37H63N9O12S5	985.32	NA	PeJP	NA	NA
+PJ116376	SCCCNDRW 	C37H55N13O13S3	985.3205	NA	PeJP	NA	NA
+PJ116377	SSSCCNDDR 	C33H55N13O18S2	985.323	NA	PeJP	NA	NA
+PJ116378	GCNNDDYW 	C41H51N11O16S	985.3236	NA	PeJP	NA	NA
+PJ116379	GGGGGCDDYW 	C41H51N11O16S	985.3237	NA	PeJP	NA	NA
+PJ116380	CCCNQEMR 	C34H59N13O13S4	985.3238	NA	PeJP	NA	NA
+PJ116381	CCNNDMMR 	C34H59N13O13S4	985.3239	NA	PeJP	NA	NA
+PJ116382	GSCCNMWW 	C42H55N11O11S3	985.3245	NA	PeJP	NA	NA
+PJ116383	GSSNNDDDY 	C37H51N11O21	985.3261	NA	PeJP	NA	NA
+PJ116384	GSPDDDDEH 	C37H51N11O21	985.3262	NA	PeJP	NA	NA
+PJ116385	GSSSCNDMW 	C38H55N11O16S2	985.327	NA	PeJP	NA	NA
+PJ116386	CDDDFWW 	C46H51N9O14S	985.3277	NA	PeJP	NA	NA
+PJ116387	GCNNMMMW 	C39H59N11O11S4	985.3279	NA	PeJP	NA	NA
+PJ116388	GSSSSSNDDM 	C34H55N11O21S	985.3295	NA	PeJP	NA	NA
+PJ116389	GSDDDEYW 	C42H51N9O19	985.3302	NA	PeJP	NA	NA
+PJ116390	SCDDEMMR 	C35H59N11O16S3	985.3304	NA	PeJP	NA	NA
+PJ116391	GPCDDMYW 	C43H55N9O14S2	985.331	NA	PeJP	NA	NA
+PJ116392	PCCDMMMR 	C36H63N11O11S5	985.3313	NA	PeJP	NA	NA
+PJ116393	CCNNQMHH 	C36H55N15O12S3	985.3317	NA	PeJP	NA	NA
+PJ116394	PPCCCMFW 	C44H59N9O9S4	985.3319	NA	PeJP	NA	NA
+PJ116395	CCDHHWW 	C44H51N13O10S2	985.3324	NA	PeJP	NA	NA
+PJ116396	GNDEEEMY 	C39H55N9O19S	985.3335	NA	PeJP	NA	NA
+PJ116397	GSDEMMMW 	C40H59N9O14S3	985.3344	NA	PeJP	NA	NA
+PJ116398	SSCDDHHW 	C40H51N13O15S	985.3349	NA	PeJP	NA	NA
+PJ116399	CCCCNERR 	C33H59N15O12S4	985.3351	NA	PeJP	NA	NA
+PJ116400	GPCMMMMW 	C41H63N9O9S5	985.3353	NA	PeJP	NA	NA
+PJ116401	PTCCCHHW 	C41H55N13O10S3	985.3357	NA	PeJP	NA	NA
+PJ116402	GSSSEEEMM 	C36H59N9O19S2	985.3369	NA	PeJP	NA	NA
+PJ116403	SSSSDDDHH 	C36H51N13O20	985.3374	NA	PeJP	NA	NA
+PJ116404	GQEEMMMM 	C37H63N9O14S4	985.3378	NA	PeJP	NA	NA
+PJ116405	CNNNNNMY 	C37H55N13O15S2	985.3382	NA	PeJP	NA	NA
+PJ116406	GGGGGGCNNMY 	C37H55N13O15S2	985.3383	NA	PeJP	NA	NA
+PJ116407	CEMMFYY 	C45H59N7O12S3	985.3384	NA	PeJP	NA	NA
+PJ116408	GCCCQMRW 	C38H59N13O10S4	985.3391	NA	PeJP	NA	NA
+PJ116409	SSSSSSCNNN 	C33H55N13O20S	985.3407	NA	PeJP	NA	NA
+PJ116410	GGGGGGSSSSSSC 	C33H55N13O20S	985.3408	NA	PeJP	NA	NA
+PJ116411	SPDDDDHW 	C41H51N11O18	985.3414	NA	PeJP	NA	NA
+PJ116412	GSSCCNEMR 	C34H59N13O15S3	985.3416	NA	PeJP	NA	NA
+PJ116413	SSSCCQWW 	C42H55N11O13S2	985.3423	NA	PeJP	NA	NA
+PJ116414	APCCCCCKR 	C35H63N13O10S5	985.3425	NA	PeJP	NA	NA
+PJ116415	CCCNNHHR 	C35H55N17O11S3	985.343	NA	PeJP	NA	NA
+PJ116416	SSSSSCNEW 	C38H55N11O18S	985.3447	NA	PeJP	NA	NA
+PJ116417	GGSSSSSCEW 	C38H55N11O18S	985.3448	NA	PeJP	NA	NA
+PJ116418	SDDDYWW 	C46H51N9O16	985.3454	NA	PeJP	NA	NA
+PJ116419	SSCNQMMW 	C39H59N11O13S3	985.3456	NA	PeJP	NA	NA
+PJ116420	GGGGGGPCMMY 	C39H59N11O13S3	985.3457	NA	PeJP	NA	NA
+PJ116421	PCCEYWW 	C47H55N9O11S2	985.3463	NA	PeJP	NA	NA
+PJ116422	SSSSSSSNDE 	C34H55N11O23	985.3473	NA	PeJP	NA	NA
+PJ116423	SSSSNNEMM 	C35H59N11O18S2	985.3481	NA	PeJP	NA	NA
+MJ099132	NS Antibiotic complex; NS6 	C37H63NO29	985.348575	NA	MeJP	NA	NA
+MJ099133	NS Antibiotic complex; NS7 	C37H63NO29	985.348575	NA	MeJP	NA	NA
+PJ116424	GSNNNNDDH 	C35H51N15O19	985.3486	NA	PeJP	NA	NA
+PJ116425	NDEEMYW 	C43H55N9O16S	985.3488	NA	PeJP	NA	NA
+PJ116426	GDDMMMMR 	C36H63N11O13S4	985.349	NA	PeJP	NA	NA
+PJ116427	SCCDEHHR 	C36H55N15O14S2	985.3495	NA	PeJP	NA	NA
+PJ116428	SDMMMWW 	C44H59N9O11S3	985.3496	NA	PeJP	NA	NA
+PJ116429	SPPCCMYW 	C44H59N9O11S3	985.3497	NA	PeJP	NA	NA
+PJ116430	GCCCCRRW 	C37H59N15O9S4	985.3504	NA	PeJP	NA	NA
+PJ116431	SSNEEEEY 	C39H55N9O21	985.3513	NA	PeJP	NA	NA
+PJ116432	SSSEEMMW 	C40H59N9O16S2	985.3522	NA	PeJP	NA	NA
+PJ116433	GNNDDEHW 	C40H51N13O17	985.3526	NA	PeJP	NA	NA
+PJ116434	GGGGGDDEHW 	C40H51N13O17	985.3527	NA	PeJP	NA	NA
+PJ116435	PCDYYYY 	C48H55N7O14S	985.3528	NA	PeJP	NA	NA
+PJ116436	GSSCCCDRR 	C33H59N15O14S3	985.3529	NA	PeJP	NA	NA
+PJ116437	QEMMMMW 	C41H63N9O11S4	985.353	NA	PeJP	NA	NA
+PJ116438	GSCEMHHW 	C41H55N13O12S2	985.3535	NA	PeJP	NA	NA
+PJ116439	SSSSTEEEM 	C36H59N9O21S	985.3546	NA	PeJP	NA	NA
+PJ116440	STQEEMMM 	C37H63N9O16S3	985.3555	NA	PeJP	NA	NA
+PJ116441	SCNNDDRY 	C37H55N13O17S	985.356	NA	PeJP	NA	NA
+PJ116442	SEMMYYY 	C45H59N7O14S2	985.3562	NA	PeJP	NA	NA
+PJ116443	SPQMMMMM 	C38H67N9O11S5	985.3564	NA	PeJP	NA	NA
+PJ116444	SSCCNMRW 	C38H59N13O12S3	985.3569	NA	PeJP	NA	NA
+PJ116445	SCNDHHHH 	C38H51N17O13S	985.3573	NA	PeJP	NA	NA
+PJ116446	CCNQFWW 	C46H55N11O10S2	985.3575	NA	PeJP	NA	NA
+MJ099134	Antibiotic A 2121; Antibiotic A 2121-2-form, 12a-O-Deglycosyl 	C48H59NO21	985.357957	NA	MeJP	NA	NA
+PJ116447	SSSSCNDMR 	C34H59N13O17S2	985.3594	NA	PeJP	NA	NA
+PJ116448	GSSSSSCWW 	C42H55N11O15S	985.36	NA	PeJP	NA	NA
+PJ116449	SCNNMMMR 	C35H63N13O12S4	985.3602	NA	PeJP	NA	NA
+PJ116450	GGGGSCMMMR 	C35H63N13O12S4	985.3603	NA	PeJP	NA	NA
+PJ116451	GTCCCKWW 	C43H59N11O10S3	985.3609	NA	PeJP	NA	NA
+PJ116452	GSSSSSSSDW 	C38H55N11O20	985.3625	NA	PeJP	NA	NA
+PJ116453	GGGGAPPDDDE 	C38H55N11O20	985.3626	NA	PeJP	NA	NA
+PJ116454	GSSSSNMMW 	C39H59N11O15S2	985.3634	NA	PeJP	NA	NA
+PJ116455	PNDDDHHH 	C39H51N15O16	985.3639	NA	PeJP	NA	NA
+PJ116456	GDEMYWW 	C47H55N9O13S	985.364	NA	PeJP	NA	NA
+PJ116457	GPCDDFFW 	C47H55N9O13S	985.3641	NA	PeJP	NA	NA
+PJ116458	CEMMMRW 	C40H63N11O10S4	985.3643	NA	PeJP	NA	NA
+PJ116459	GSSSSSSQEM 	C35H59N11O20S	985.3659	NA	PeJP	NA	NA
+PJ116460	GSSEEEYW 	C43H55N9O18	985.3665	NA	PeJP	NA	NA
+PJ116461	GNDEEEFF 	C43H55N9O18	985.3666	NA	PeJP	NA	NA
+PJ116462	GSSSQQMMM 	C36H63N11O15S3	985.3667	NA	PeJP	NA	NA
+PJ116463	SSDEMMMR 	C36H63N11O15S3	985.3668	NA	PeJP	NA	NA
+PJ116464	SSSSCNQHH 	C36H55N15O16S	985.3672	NA	PeJP	NA	NA
+PJ116465	GGGGGGNNEMH 	C36H55N15O16S	985.3673	NA	PeJP	NA	NA
+PJ116466	GSPDMMYW 	C44H59N9O13S2	985.3674	NA	PeJP	NA	NA
+PJ116467	SPCMMMMR 	C37H67N11O10S5	985.3676	NA	PeJP	NA	NA
+PJ116468	NNDDHWW 	C44H51N13O14	985.3679	NA	PeJP	NA	NA
+PJ116469	GCDMMHHR 	C37H59N15O11S3	985.3681	NA	PeJP	NA	NA
+PJ116470	AMMMMWW 	C45H63N9O8S4	985.3683	NA	PeJP	NA	NA
+PJ116471	SCMHHWW 	C45H55N13O9S2	985.3687	NA	PeJP	NA	NA
+PJ116472	GPCCHHFW 	C45H55N13O9S2	985.3688	NA	PeJP	NA	NA
+PJ116473	GTQEEEMY 	C40H59N9O18S	985.3699	NA	PeJP	NA	NA
+PJ116474	SDEFYYY 	C48H55N7O16	985.3705	NA	PeJP	NA	NA
+PJ116475	GEEYYYY 	C48H55N7O16	985.3706	NA	PeJP	NA	NA
+PJ116476	GTTEMMMW 	C41H63N9O13S3	985.3708	NA	PeJP	NA	NA
+PJ116477	CNNNNNFF 	C41H55N13O14S	985.3712	NA	PeJP	NA	NA
+PJ116478	SSSDMHHW 	C41H55N13O14S	985.3713	NA	PeJP	NA	NA
+PJ116479	PCMFYYY 	C49H59N7O11S2	985.3714	NA	PeJP	NA	NA
+PJ116480	SCCCQMRR 	C34H63N15O11S4	985.3715	NA	PeJP	NA	NA
+PJ116481	NMMMHHW 	C42H59N13O9S3	985.3721	NA	PeJP	NA	NA
+MJ099135	Taxol?; 7-O-?-D-Xylopyranoside 	C52H59NO18	985.373214	NA	MeJP	NA	NA
+PJ116482	GSTTTEEMM 	C37H63N9O18S2	985.3733	NA	PeJP	NA	NA
+PJ116483	SSSSNNNNY 	C37H55N13O19	985.3737	NA	PeJP	NA	NA
+PJ116484	GGGGSSSSNNY 	C37H55N13O19	985.3738	NA	PeJP	NA	NA
+PJ116485	ASSPTMMMM 	C38H67N9O13S4	985.3741	NA	PeJP	NA	NA
+PJ116486	GKEEMMMM 	C38H67N9O13S4	985.3742	NA	PeJP	NA	NA
+PJ116487	GSSSTCCRW 	C38H59N13O14S2	985.3746	NA	PeJP	NA	NA
+PJ116488	GGGGGGGACCKY 	C38H59N13O14S2	985.3747	NA	PeJP	NA	NA
+PJ116489	CLMMYYY 	C46H63N7O11S3	985.3748	NA	PeJP	NA	NA
+PJ116490	SCNQYWW 	C46H55N11O12S	985.3753	NA	PeJP	NA	NA
+PJ116491	GCCCKMRW 	C39H63N13O9S4	985.3755	NA	PeJP	NA	NA
+PJ116492	GCQMHHHH 	C39H55N17O10S2	985.376	NA	PeJP	NA	NA
+PJ116493	GSSSSSSCER 	C34H59N13O19S	985.3771	NA	PeJP	NA	NA
+PJ116494	SSSNNEYW 	C42H55N11O17	985.3778	NA	PeJP	NA	NA
+PJ116495	GSSSCQMMR 	C35H63N13O14S3	985.378	NA	PeJP	NA	NA
+PJ116496	CNNNNDHR 	C35H55N17O15S	985.3785	NA	PeJP	NA	NA
+PJ116497	SSSCCKWW 	C43H59N11O12S2	985.3786	NA	PeJP	NA	NA
+PJ116498	GGGGQMMYW 	C43H59N11O12S2	985.3787	NA	PeJP	NA	NA
+PJ116499	DMYWWW 	C51H55N9O10S	985.3793	NA	PeJP	NA	NA
+PJ116500	SSSSSSQMW 	C39H59N11O17S	985.3811	NA	PeJP	NA	NA
+PJ116501	GSDEEMRY 	C39H59N11O17S	985.3812	NA	PeJP	NA	NA
+PJ116502	SSEEYWW 	C47H55N9O15	985.3818	NA	PeJP	NA	NA
+PJ116503	SSCNKMMW 	C40H63N11O12S3	985.382	NA	PeJP	NA	NA
+PJ116504	GNNNNMHW 	C40H55N15O13S	985.3825	NA	PeJP	NA	NA
+PJ116505	PTCMYWW 	C48H59N9O10S2	985.3827	NA	PeJP	NA	NA
+PJ116506	SSSSSSSTQE 	C35H59N11O22	985.3836	NA	PeJP	NA	NA
+PJ116507	SSSSNDKMM 	C36H63N11O17S2	985.3845	NA	PeJP	NA	NA
+PJ116508	SNNDDEHR 	C36H55N15O18	985.385	NA	PeJP	NA	NA
+PJ116509	TQEEMYW 	C44H59N9O15S	985.3852	NA	PeJP	NA	NA
+PJ116510	GTEMMMMR 	C37H67N11O12S4	985.3854	NA	PeJP	NA	NA
+PJ116511	EYYYYW 	C52H55N7O13	985.3858	NA	PeJP	NA	NA
+PJ116512	GCCNDRRY 	C37H59N15O13S2	985.3859	NA	PeJP	NA	NA
+PJ116513	TTMMMWW 	C45H63N9O10S3	985.386	NA	PeJP	NA	NA
+PJ116514	GGPPCMMFF 	C45H63N9O10S3	985.3861	NA	PeJP	NA	NA
+PJ116515	GSPCNHWW 	C45H55N13O11S	985.3865	NA	PeJP	NA	NA
+PJ116516	GCCHHHHR 	C38H55N19O9S2	985.3872	NA	PeJP	NA	NA
+PJ116517	SSDKEEEY 	C40H59N9O20	985.3877	NA	PeJP	NA	NA
+PJ116518	STTTEMMW 	C41H63N9O15S2	985.3885	NA	PeJP	NA	NA
+PJ116519	GGALDEMMY 	C41H63N9O15S2	985.3886	NA	PeJP	NA	NA
+PJ116520	DDEEHRW 	C41H55N13O16	985.389	NA	PeJP	NA	NA
+PJ116521	SPMYYYY 	C49H59N7O13S	985.3892	NA	PeJP	NA	NA
+PJ116522	KEMMMMW 	C42H67N9O10S4	985.3894	NA	PeJP	NA	NA
+PJ116523	CNNMRYW 	C42H59N13O11S2	985.3899	NA	PeJP	NA	NA
+PJ116524	SSTTTTEEM 	C37H63N9O20S	985.391	NA	PeJP	NA	NA
+PJ116525	STKEEMMM 	C38H67N9O15S3	985.3919	NA	PeJP	NA	NA
+PJ116526	SSSSSSCRW 	C38H59N13O16S	985.3924	NA	PeJP	NA	NA
+PJ116527	SPKMMMMM 	C39H71N9O10S5	985.3928	NA	PeJP	NA	NA
+PJ116528	GSSSNYWW 	C46H55N11O14	985.393	NA	PeJP	NA	NA
+PJ116529	GGGPPDDWW 	C46H55N11O14	985.3931	NA	PeJP	NA	NA
+PJ116530	STCCCKRW 	C39H63N13O11S3	985.3933	NA	PeJP	NA	NA
+PJ116531	SSNMHHHH 	C39H55N17O12S	985.3937	NA	PeJP	NA	NA
+PJ116532	GGGGGAPCHHH 	C39H55N17O12S	985.3938	NA	PeJP	NA	NA
+PJ116533	CCNKFWW 	C47H59N11O9S2	985.3939	NA	PeJP	NA	NA
+PJ116534	SSSSSSSSDR 	C34H59N13O21	985.3949	NA	PeJP	NA	NA
+PJ116535	SSSSSNMMR 	C35H63N13O16S2	985.3957	NA	PeJP	NA	NA
+PJ116536	GGSSSSSMMR 	C35H63N13O16S2	985.3958	NA	PeJP	NA	NA
+PJ116537	SDEMRYW 	C43H59N11O14S	985.3964	NA	PeJP	NA	NA
+PJ116538	SCCQKMMR 	C36H67N13O11S4	985.3966	NA	PeJP	NA	NA
+PJ116539	GPDYYWW 	C51H55N9O12	985.3971	NA	PeJP	NA	NA
+PJ116540	PCMMRYW 	C44H63N11O9S3	985.3973	NA	PeJP	NA	NA
+PJ116541	MMFWWW 	C52H59N9O7S2	985.3979	NA	PeJP	NA	NA
+PJ116542	GSSSSSSTTW 	C39H59N11O19	985.3989	NA	PeJP	NA	NA
+PJ116543	GSSSTCKMW 	C40H63N11O14S2	985.3998	NA	PeJP	NA	NA
+PJ116544	SSNNNQHW 	C40H55N15O15	985.4002	NA	PeJP	NA	NA
+PJ116545	GSNDDHRW 	C40H55N15O15	985.4003	NA	PeJP	NA	NA
+PJ116546	ATEMYWW 	C48H59N9O12S	985.4004	NA	PeJP	NA	NA
+PJ116547	TMMMMRW 	C41H67N11O9S4	985.4006	NA	PeJP	NA	NA
+PJ116548	GCCKKMMW 	C41H67N11O9S4	985.4007	NA	PeJP	NA	NA
+PJ116549	GPCCQHRW 	C41H59N15O10S2	985.4011	NA	PeJP	NA	NA
+PJ116550	ACHHFWW 	C49H55N13O8S	985.4018	NA	PeJP	NA	NA
+PJ116551	GSSSSSSKEM 	C36H63N11O19S	985.4023	NA	PeJP	NA	NA
+PJ116552	GTTTEEYW 	C44H59N9O17	985.4029	NA	PeJP	NA	NA
+PJ116553	STTEMMMR 	C37H67N11O14S3	985.4031	NA	PeJP	NA	NA
+PJ116554	GGGSSTKMMM 	C37H67N11O14S3	985.4032	NA	PeJP	NA	NA
+PJ116555	GNNEEMHR 	C37H59N15O15S	985.4036	NA	PeJP	NA	NA
+PJ116556	GGGGGGGPPCDR 	C37H59N15O15S	985.4037	NA	PeJP	NA	NA
+PJ116557	VQEMMYW 	C45H63N9O12S2	985.4038	NA	PeJP	NA	NA
+PJ116558	GVMMMMMR 	C38H71N11O9S5	985.404	NA	PeJP	NA	NA
+PJ116559	SNQEHWW 	C45H55N13O13	985.4043	NA	PeJP	NA	NA
+PJ116560	PCFFFYY 	C53H59N7O10S	985.4044	NA	PeJP	NA	NA
+PJ116561	GCCNMFRR 	C38H63N15O10S3	985.4045	NA	PeJP	NA	NA
+PJ116562	MMHHHFF 	C46H59N13O8S2	985.4051	NA	PeJP	NA	NA
+PJ116563	GTKEEEMY 	C41H63N9O17S	985.4063	NA	PeJP	NA	NA
+PJ116564	SVEYYYY 	C49H59N7O15	985.4069	NA	PeJP	NA	NA
+PJ116565	SSSSTCCRR 	C34H63N15O15S2	985.407	NA	PeJP	NA	NA
+PJ116566	SSTLMMMW 	C42H67N9O12S3	985.4072	NA	PeJP	NA	NA
+PJ116567	GSSCQRYW 	C42H59N13O13S	985.4076	NA	PeJP	NA	NA
+PJ116568	GGAAQEMHW 	C42H59N13O13S	985.4077	NA	PeJP	NA	NA
+PJ116569	CLMFFYY 	C50H63N7O10S2	985.4078	NA	PeJP	NA	NA
+PJ116570	SCCCKMRR 	C35H67N15O10S4	985.4079	NA	PeJP	NA	NA
+PJ116571	GNNFYWW 	C50H55N11O11	985.4083	NA	PeJP	NA	NA
+PJ116572	SSSTTLEMM 	C38H67N9O17S2	985.4097	NA	PeJP	NA	NA
+PJ116573	GSSSSNERY 	C38H59N13O18	985.4101	NA	PeJP	NA	NA
+PJ116574	GTEEEEHR 	C38H59N13O18	985.4102	NA	PeJP	NA	NA
+PJ116575	SVKEMMMM 	C39H71N9O12S4	985.4105	NA	PeJP	NA	NA
+PJ116576	DDMMRRY 	C39H63N13O13S2	985.411	NA	PeJP	NA	NA
+PJ116577	GSSSTHHHH 	C39H55N17O14	985.4115	NA	PeJP	NA	NA
+PJ116578	SCNKYWW 	C47H59N11O11S	985.4116	NA	PeJP	NA	NA
+PJ116579	GGSCKYWW 	C47H59N11O11S	985.4117	NA	PeJP	NA	NA
+PJ116580	DFFWWW 	C55H55N9O9	985.4123	NA	PeJP	NA	NA
+PJ116581	PPCCHHHR 	C40H59N17O9S2	985.4124	NA	PeJP	NA	NA
+PJ116582	GSSSSSSTMR 	C35H63N13O18S	985.4135	NA	PeJP	NA	NA
+PJ116583	SSSTQQYW 	C43H59N11O16	985.4141	NA	PeJP	NA	NA
+PJ116584	SSSNDKYW 	C43H59N11O16	985.4142	NA	PeJP	NA	NA
+PJ116585	GSSSCKMMR 	C36H67N13O13S3	985.4144	NA	PeJP	NA	NA
+PJ116586	SNNNNMHR 	C36H59N17O14S	985.4148	NA	PeJP	NA	NA
+PJ116587	GCNDEHRR 	C36H59N17O14S	985.4149	NA	PeJP	NA	NA
+PJ116588	AEMMRYW 	C44H63N11O11S2	985.415	NA	PeJP	NA	NA
+PJ116589	GGGGPPPMMW 	C44H63N11O11S2	985.4151	NA	PeJP	NA	NA
+PJ116590	MMMMMRR 	C37H71N13O8S5	985.4153	NA	PeJP	NA	NA
+PJ116591	GSPEHHHW 	C44H55N15O12	985.4155	NA	PeJP	NA	NA
+PJ116592	GPMFYWW 	C52H59N9O9S	985.4157	NA	PeJP	NA	NA
+PJ116593	SSSSSSKMW 	C40H63N11O16S	985.4175	NA	PeJP	NA	NA
+PJ116594	GGVVEEEMH 	C40H63N11O16S	985.4176	NA	PeJP	NA	NA
+PJ116595	TTTEYWW 	C48H59N9O14	985.4182	NA	PeJP	NA	NA
+PJ116596	STCCKKMW 	C41H67N11O11S3	985.4184	NA	PeJP	NA	NA
+PJ116597	NNEMHRW 	C41H59N15O12S	985.4189	NA	PeJP	NA	NA
+PJ116598	AVMMYWW 	C49H63N9O9S2	985.419	NA	PeJP	NA	NA
+PJ116599	GLMMYWW 	C49H63N9O9S2	985.4191	NA	PeJP	NA	NA
+PJ116600	GSQHWWW 	C49H55N13O10	985.4195	NA	PeJP	NA	NA
+PJ116601	SSSSSSSTKE 	C36H63N11O21	985.42	NA	PeJP	NA	NA
+PJ116602	SSSSTQKMM 	C37H67N11O16S2	985.4209	NA	PeJP	NA	NA
+PJ116603	SSNQEEHR 	C37H59N15O17	985.4214	NA	PeJP	NA	NA
+PJ116604	SPTTTMYW 	C45H63N9O14S	985.4215	NA	PeJP	NA	NA
+PJ116605	TKEEMYW 	C45H63N9O14S	985.4216	NA	PeJP	NA	NA
+PJ116606	SSLMMMMR 	C38H71N11O11S4	985.4218	NA	PeJP	NA	NA
+PJ116607	APFYYYY 	C53H59N7O12	985.4222	NA	PeJP	NA	NA
+PJ116608	GGGSCMRRY 	C38H63N15O12S2	985.4223	NA	PeJP	NA	NA
+PJ116609	PKMMMYW 	C46H67N9O9S3	985.4224	NA	PeJP	NA	NA
+PJ116610	GNNDHHHR 	C38H55N19O13	985.4227	NA	PeJP	NA	NA
+PJ116611	AQQMHWW 	C46H59N13O10S	985.4229	NA	PeJP	NA	NA
+PJ116612	ASSSTLEEY 	C41H63N9O19	985.424	NA	PeJP	NA	NA
+PJ116613	STTKEEEY 	C41H63N9O19	985.4241	NA	PeJP	NA	NA
+PJ116614	GVKEEMMY 	C42H67N9O14S2	985.4249	NA	PeJP	NA	NA
+PJ116615	SSSSNRYW 	C42H59N13O15	985.4254	NA	PeJP	NA	NA
+PJ116616	ALMYYYY 	C50H63N7O12S	985.4256	NA	PeJP	NA	NA
+PJ116617	APKMMMMF 	C43H71N9O9S4	985.4258	NA	PeJP	NA	NA
+PJ116618	CCQKRYW 	C43H63N13O10S2	985.4263	NA	PeJP	NA	NA
+PJ116619	NQQHHHW 	C43H55N17O11	985.4267	NA	PeJP	NA	NA
+PJ116620	GGGAQHHHW 	C43H55N17O11	985.4268	NA	PeJP	NA	NA
+PJ116621	TTTTTTTEM 	C38H67N9O19S	985.4274	NA	PeJP	NA	NA
+PJ116622	SSSSLLMMM 	C39H71N9O14S3	985.4283	NA	PeJP	NA	NA
+PJ116623	SSSQQMRY 	C39H63N13O15S	985.4288	NA	PeJP	NA	NA
+PJ116624	ALKMMMMM 	C40H75N9O9S5	985.4292	NA	PeJP	NA	NA
+PJ116625	SLEEHWW 	C47H59N11O13	985.4294	NA	PeJP	NA	NA
+PJ116626	DMMMFRR 	C40H67N13O10S3	985.4296	NA	PeJP	NA	NA
+PJ116627	GGGCKMMFR 	C40H67N13O10S3	985.4297	NA	PeJP	NA	NA
+PJ116628	CNDHRRW 	C40H59N17O11S	985.4301	NA	PeJP	NA	NA
+PJ116629	PVMMHWW 	C48H63N11O8S2	985.4303	NA	PeJP	NA	NA
+PJ116630	SPHHHWW 	C48H55N15O9	985.4308	NA	PeJP	NA	NA
+PJ116631	SSSSSSSTTR 	C35H63N13O20	985.4313	NA	PeJP	NA	NA
+PJ116632	SSSSTCKMR 	C36H67N13O15S2	985.4321	NA	PeJP	NA	NA
+PJ116633	SSNDDHRR 	C36H59N17O16	985.4326	NA	PeJP	NA	NA
+PJ116634	GGGGGGGGGGGSPR 	C36H59N17O16	985.4327	NA	PeJP	NA	NA
+PJ116635	TTEMRYW 	C44H63N11O13S	985.4328	NA	PeJP	NA	NA
+PJ116636	SCCKKMMR 	C37H71N13O10S4	985.433	NA	PeJP	NA	NA
+PJ116637	APTYYWW 	C52H59N9O11	985.4334	NA	PeJP	NA	NA
+PJ116638	GGPEFFFW 	C52H59N9O11	985.4335	NA	PeJP	NA	NA
+PJ116639	CLMMFRW 	C45H67N11O8S3	985.4337	NA	PeJP	NA	NA
+PJ116640	GNMHRWW 	C45H59N15O9S	985.4341	NA	PeJP	NA	NA
+PJ116641	STTTEERY 	C40H63N11O18	985.4353	NA	PeJP	NA	NA
+PJ116642	SPTTMMRY 	C41H67N11O13S2	985.4361	NA	PeJP	NA	NA
+PJ116643	KEEMMRY 	C41H67N11O13S2	985.4362	NA	PeJP	NA	NA
+PJ116644	GSSQEHRW 	C41H59N15O14	985.4366	NA	PeJP	NA	NA
+PJ116645	GGGGGPNERW 	C41H59N15O14	985.4367	NA	PeJP	NA	NA
+PJ116646	STLMYWW 	C49H63N9O11S	985.4368	NA	PeJP	NA	NA
+PJ116647	GPCCKHRW 	C42H63N15O9S2	985.4375	NA	PeJP	NA	NA
+PJ116648	GPQHHHHH 	C42H55N19O10	985.438	NA	PeJP	NA	NA
+PJ116649	GSSSSTTTKM 	C37H67N11O18S	985.4387	NA	PeJP	NA	NA
+PJ116650	SSTTLEYW 	C45H63N9O16	985.4393	NA	PeJP	NA	NA
+PJ116651	GSSSKKMMM 	C38H71N11O13S3	985.4395	NA	PeJP	NA	NA
+PJ116652	SSSCQRRY 	C38H63N15O14S	985.44	NA	PeJP	NA	NA
+PJ116653	VKEMMYW 	C46H67N9O11S2	985.4402	NA	PeJP	NA	NA
+PJ116654	SNKEHWW 	C46H59N13O12	985.4406	NA	PeJP	NA	NA
+PJ116655	GGSKEHWW 	C46H59N13O12	985.4407	NA	PeJP	NA	NA
+PJ116656	CLFFFFY 	C54H63N7O9S	985.4408	NA	PeJP	NA	NA
+PJ116657	ACCCKFRR 	C39H67N15O9S3	985.4409	NA	PeJP	NA	NA
+PJ116658	SSLKEEMY 	C42H67N9O16S	985.4427	NA	PeJP	NA	NA
+PJ116659	TTLYYYY 	C50H63N7O14	985.4433	NA	PeJP	NA	NA
+PJ116660	SPVKMMMY 	C43H71N9O11S3	985.4436	NA	PeJP	NA	NA
+PJ116661	GSSCKRYW 	C43H63N13O12S	985.444	NA	PeJP	NA	NA
+PJ116662	GGGGGAPPCKW 	C43H63N13O12S	985.4441	NA	PeJP	NA	NA
+PJ116663	SPPQWWW 	C51H59N11O10	985.4447	NA	PeJP	NA	NA
+PJ116664	STTTTTLMM 	C39H71N9O16S2	985.446	NA	PeJP	NA	NA
+PJ116665	GSSSSDKRY 	C39H63N13O17	985.4465	NA	PeJP	NA	NA
+PJ116666	GGGGPVEEER 	C39H63N13O17	985.4466	NA	PeJP	NA	NA
+PJ116667	TTLKMMMM 	C40H75N9O11S4	985.4469	NA	PeJP	NA	NA
+PJ116668	TEMMRRY 	C40H67N13O12S2	985.4474	NA	PeJP	NA	NA
+PJ116669	GNNNQHFR 	C40H59N17O13	985.4479	NA	PeJP	NA	NA
+PJ116670	CLLEHWW 	C48H63N11O10S	985.448	NA	PeJP	NA	NA
+PJ116671	VVEMHWW 	C48H63N11O10S	985.4481	NA	PeJP	NA	NA
+PJ116672	VFYWWW 	C56H59N9O8	985.4487	NA	PeJP	NA	NA
+PJ116673	SSSTQKYW 	C44H63N11O15	985.4505	NA	PeJP	NA	NA
+PJ116674	ATTLEEHW 	C44H63N11O15	985.4506	NA	PeJP	NA	NA
+PJ116675	GSNEMHRR 	C37H63N17O13S	985.4512	NA	PeJP	NA	NA
+PJ116676	GGGSEMHRR 	C37H63N17O13S	985.4513	NA	PeJP	NA	NA
+PJ116677	SLMMRYW 	C45H67N11O10S2	985.4514	NA	PeJP	NA	NA
+PJ116678	SSQHRWW 	C45H59N15O11	985.4519	NA	PeJP	NA	NA
+PJ116679	GLMFFWW 	C53H63N9O8S	985.4521	NA	PeJP	NA	NA
+PJ116680	SSTLEMRY 	C41H67N11O15S	985.4539	NA	PeJP	NA	NA
+PJ116681	PTKEYYW 	C49H63N9O13	985.4546	NA	PeJP	NA	NA
+PJ116682	AALMMMRY 	C42H71N11O10S3	985.4548	NA	PeJP	NA	NA
+PJ116683	GPPCDRRW 	C42H63N15O11S	985.4553	NA	PeJP	NA	NA
+PJ116684	PKMMFFW 	C50H67N9O8S2	985.4554	NA	PeJP	NA	NA
+PJ116685	GSKHWWW 	C50H59N13O9	985.4559	NA	PeJP	NA	NA
+PJ116686	SSSSSTTTTK 	C37H67N11O20	985.4564	NA	PeJP	NA	NA
+PJ116687	SSSSTKKMM 	C38H71N11O15S2	985.4573	NA	PeJP	NA	NA
+PJ116688	ASSSNQQKH 	C38H63N15O16	985.4577	NA	PeJP	NA	NA
+PJ116689	GSSSSSRRY 	C38H63N15O16	985.4578	NA	PeJP	NA	NA
+PJ116690	SSSLLMYW 	C46H67N9O13S	985.4579	NA	PeJP	NA	NA
+PJ116691	PPVVEEMW 	C46H67N9O13S	985.458	NA	PeJP	NA	NA
+PJ116692	SCKKKMMM 	C39H75N11O10S4	985.4582	NA	PeJP	NA	NA
+PJ116693	ALFFYYY 	C54H63N7O11	985.4586	NA	PeJP	NA	NA
+PJ116694	GGGGALMMHR 	C39H67N15O11S2	985.4587	NA	PeJP	NA	NA
+PJ116695	LKMMMFW 	C47H71N9O8S3	985.4588	NA	PeJP	NA	NA
+PJ116696	DEHHHRR 	C39H59N19O12	985.4591	NA	PeJP	NA	NA
+PJ116697	PPNMRWW 	C47H63N13O9S	985.4593	NA	PeJP	NA	NA
+PJ116698	SSSSTLLEY 	C42H67N9O18	985.4604	NA	PeJP	NA	NA
+PJ116699	PLLQEEEE 	C42H67N9O18	985.4605	NA	PeJP	NA	NA
+PJ116700	ATLKEMMY 	C43H71N9O13S2	985.4613	NA	PeJP	NA	NA
+PJ116701	AAPQEERW 	C43H63N13O14	985.4618	NA	PeJP	NA	NA
+PJ116702	GSCDHRRR 	C36H63N19O12S	985.4625	NA	PeJP	NA	NA
+PJ116703	CCKKRYW 	C44H67N13O9S2	985.4627	NA	PeJP	NA	NA
+PJ116704	VDHHHRW 	C44H59N17O10	985.4631	NA	PeJP	NA	NA
+PJ116705	SSSQKMRY 	C40H67N13O14S	985.4651	NA	PeJP	NA	NA
+PJ116706	GGSSTKMRY 	C40H67N13O14S	985.4652	NA	PeJP	NA	NA
+PJ116707	GSPPKEWW 	C48H63N11O12	985.4658	NA	PeJP	NA	NA
+PJ116708	VMMMRRY 	C41H71N13O9S3	985.466	NA	PeJP	NA	NA
+PJ116709	SNMHRRW 	C41H63N17O10S	985.4665	NA	PeJP	NA	NA
+PJ116710	ALHHHWW 	C49H59N15O8	985.4671	NA	PeJP	NA	NA
+PJ116711	GHHFFRW 	C49H59N15O8	985.4672	NA	PeJP	NA	NA
+PJ116712	GPDDDRRR 	C37H63N17O15	985.469	NA	PeJP	NA	NA
+PJ116713	GSSKKMYW 	C45H67N11O12S	985.4692	NA	PeJP	NA	NA
+PJ116714	GVLYYWW 	C53H63N9O10	985.4698	NA	PeJP	NA	NA
+PJ116715	QQMMHRR 	C38H67N17O10S2	985.4699	NA	PeJP	NA	NA
+PJ116716	ACKHRWW 	C46H63N15O8S	985.4705	NA	PeJP	NA	NA
+PJ116717	GSSSTKKEY 	C41H67N11O17	985.4717	NA	PeJP	NA	NA
+PJ116718	ATTLMMRY 	C42H71N11O12S2	985.4725	NA	PeJP	NA	NA
+PJ116719	GGATKKMMY 	C42H71N11O12S2	985.4726	NA	PeJP	NA	NA
+PJ116720	PNEERRW 	C42H63N15O13	985.473	NA	PeJP	NA	NA
+PJ116721	GGGGGGGAPPFR 	C42H63N15O13	985.4731	NA	PeJP	NA	NA
+PJ116722	PVKMYYW 	C50H67N9O10S	985.4732	NA	PeJP	NA	NA
+PJ116723	KMMHHFR 	C43H67N15O8S2	985.4739	NA	PeJP	NA	NA
+PJ116724	GPKHHHHH 	C43H59N19O9	985.4744	NA	PeJP	NA	NA
+PJ116725	TTTTTLYW 	C46H67N9O15	985.4757	NA	PeJP	NA	NA
+PJ116726	SSSCKRRY 	C39H67N15O13S	985.4764	NA	PeJP	NA	NA
+PJ116727	GPLKMMFY 	C47H71N9O10S2	985.4766	NA	PeJP	NA	NA
+PJ116728	PVNERWW 	C47H63N13O11	985.477	NA	PeJP	NA	NA
+PJ116729	GGPVERWW 	C47H63N13O11	985.4771	NA	PeJP	NA	NA
+PJ116730	TTTLKEMY 	C43H71N9O15S	985.4791	NA	PeJP	NA	NA
+PJ116731	GLLKMMMY 	C44H75N9O10S3	985.4799	NA	PeJP	NA	NA
+PJ116732	GPPPLLMMM 	C44H75N9O10S3	985.48	NA	PeJP	NA	NA
+PJ116733	GNNNQQRR 	C36H63N19O14	985.4802	NA	PeJP	NA	NA
+PJ116734	GGGGGGGQQRR 	C36H63N19O14	985.4803	NA	PeJP	NA	NA
+PJ116735	GPPDKMRW 	C44H67N13O11S	985.4804	NA	PeJP	NA	NA
+PJ116736	SPPKWWW 	C52H63N11O9	985.4811	NA	PeJP	NA	NA
+PJ116737	GSSSTTKRY 	C40H67N13O16	985.4829	NA	PeJP	NA	NA
+PJ116738	GGGGGGGGGVLLE 	C40H67N13O16	985.483	NA	PeJP	NA	NA
+PJ116739	GTCKKMRY 	C41H71N13O11S2	985.4838	NA	PeJP	NA	NA
+PJ116740	GSSTHRRW 	C41H63N17O12	985.4843	NA	PeJP	NA	NA
+PJ116741	TLLMHWW 	C49H67N11O9S	985.4844	NA	PeJP	NA	NA
+PJ116742	SSSTKKYW 	C45H67N11O14	985.4869	NA	PeJP	NA	NA
+PJ116743	GGAPLKEEW 	C45H67N11O14	985.487	NA	PeJP	NA	NA
+PJ116744	SPPCDRRR 	C38H67N17O12S	985.4876	NA	PeJP	NA	NA
+PJ116745	GGGGGAAPMRR 	C38H67N17O12S	985.4877	NA	PeJP	NA	NA
+PJ116746	CKKKMYW 	C46H71N11O9S2	985.4878	NA	PeJP	NA	NA
+PJ116747	GPERRWW 	C46H63N15O10	985.4883	NA	PeJP	NA	NA
+PJ116748	TTTTLMRY 	C42H71N11O14S	985.4903	NA	PeJP	NA	NA
+PJ116749	VVKEYYW 	C50H67N9O12	985.4909	NA	PeJP	NA	NA
+PJ116750	AASLLYYW 	C50H67N9O12	985.491	NA	PeJP	NA	NA
+PJ116751	ACKKKMMF 	C43H75N11O9S3	985.4912	NA	PeJP	NA	NA
+PJ116752	TQKMHRW 	C43H67N15O10S	985.4916	NA	PeJP	NA	NA
+PJ116753	GSPPMRRW 	C43H67N15O10S	985.4917	NA	PeJP	NA	NA
+PJ116754	GPVRWWW 	C51H63N13O8	985.4923	NA	PeJP	NA	NA
+PJ116755	APTQEERR 	C39H67N15O15	985.4941	NA	PeJP	NA	NA
+PJ116756	GPDKEERR 	C39H67N15O15	985.4942	NA	PeJP	NA	NA
+PJ116757	PPTLLEMW 	C47H71N9O12S	985.4943	NA	PeJP	NA	NA
+PJ116758	APPQMMRR 	C40H71N15O10S2	985.495	NA	PeJP	NA	NA
+PJ116759	GSQKHHHR 	C40H63N19O11	985.4955	NA	PeJP	NA	NA
+PJ116760	AKKMHWW 	C48H67N13O8S	985.4957	NA	PeJP	NA	NA
+PJ116761	SSTTTTLLY 	C43H71N9O17	985.4968	NA	PeJP	NA	NA
+PJ116762	STLLKMMY 	C44H75N9O12S2	985.4977	NA	PeJP	NA	NA
+5525	hepcidin 25 ( LEAP-1)	DTHFPICIFCCGCCHRSKCGMCCKT	985.4981	MH2+	Inhouse_peptide	NA	peptide
+PJ116763	AAPKEERW 	C44H67N13O13	985.4982	NA	PeJP	NA	NA
+PJ116764	GSSMHRRR 	C37H67N19O11S	985.4989	NA	PeJP	NA	NA
+PJ116765	LLMMHRW 	C45H71N13O8S2	985.499	NA	PeJP	NA	NA
+PJ116766	GQHFRRW 	C45H63N17O9	985.4995	NA	PeJP	NA	NA
+PJ116767	SSSKKMRY 	C41H71N13O13S	985.5015	NA	PeJP	NA	NA
+PJ116768	AASPPKEMR 	C41H71N13O13S	985.5016	NA	PeJP	NA	NA
+PJ116769	PLQKEWW 	C49H67N11O11	985.5022	NA	PeJP	NA	NA
+PJ116770	TCKHRRW 	C42H67N17O9S	985.5029	NA	PeJP	NA	NA
+PJ116771	PRRWWW 	C50H63N15O7	985.5035	NA	PeJP	NA	NA
+PJ116772	GSPEERRR 	C38H67N17O14	985.5054	NA	PeJP	NA	NA
+MJ099136	Nacartocin 	C46H71N11O11S	985.505522	NA	MeJP	NA	NA
+PJ116773	SSLLLMHW 	C46H71N11O11S	985.5056	NA	PeJP	NA	NA
+PJ116774	PVKFFYW 	C54H67N9O9	985.5062	NA	PeJP	NA	NA
+PJ116775	APPCMRRR 	C39H71N17O9S2	985.5063	NA	PeJP	NA	NA
+PJ116776	SSSSSLKKY 	C42H71N11O16	985.508	NA	PeJP	NA	NA
+PJ116777	GSTTTTKKY 	C42H71N11O16	985.5081	NA	PeJP	NA	NA
+PJ116778	GTKKKMMY 	C43H75N11O11S2	985.5089	NA	PeJP	NA	NA
+PJ116779	GGGPPVLKMM 	C43H75N11O11S2	985.509	NA	PeJP	NA	NA
+PJ116780	PDKERRW 	C43H67N15O12	985.5094	NA	PeJP	NA	NA
+PJ116781	VLKMFYW 	C51H71N9O9S	985.5096	NA	PeJP	NA	NA
+PJ116782	PHHHFRR 	C44H63N19O8	985.5108	NA	PeJP	NA	NA
+2613	synthetic peptide inhibitors of (PEP)	VYPFPGPIP	985.512	NA	Inhouse_peptide	NA	peptide
+PJ116783	SPLLLEEW 	C47H71N9O14	985.5121	NA	PeJP	NA	NA
+PJ116784	GPLQEMRR 	C40H71N15O12S	985.5128	NA	PeJP	NA	NA
+PJ116785	PPVLLMMW 	C48H75N9O9S2	985.513	NA	PeJP	NA	NA
+PJ116786	PVDKRWW 	C48H67N13O10	985.5134	NA	PeJP	NA	NA
+PJ116787	LMHHHRR 	C41H67N19O8S	985.5141	NA	PeJP	NA	NA
+PJ116788	AAPLLLEEM 	C44H75N9O14S	985.5155	NA	PeJP	NA	NA
+PJ116789	SSSTHRRR 	C37H67N19O13	985.5166	NA	PeJP	NA	NA
+PJ116790	GGGGGGGGAKRR 	C37H67N19O13	985.5167	NA	PeJP	NA	NA
+PJ116791	APPTKMRW 	C45H71N13O10S	985.5168	NA	PeJP	NA	NA
+PJ116792	VVLHFWW 	C53H67N11O8	985.5174	NA	PeJP	NA	NA
+PJ116793	APLKWWW 	C53H67N11O8	985.5175	NA	PeJP	NA	NA
+PJ116794	APKKEEER 	C41H71N13O15	985.5193	NA	PeJP	NA	NA
+PJ116795	SVLLMMHR 	C42H75N13O10S2	985.5202	NA	PeJP	NA	NA
+PJ116796	SPERRRW 	C42H67N17O11	985.5206	NA	PeJP	NA	NA
+PJ116797	GGGGLQRRW 	C42H67N17O11	985.5207	NA	PeJP	NA	NA
+PJ116798	CKKKFFW 	C50H71N11O8S	985.5208	NA	PeJP	NA	NA
+3405	ACE inhibitor	YANPAVVRP	985.5209	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ116799	GPLKKEEW 	C46H71N11O13	985.5233	NA	PeJP	NA	NA
+PJ116800	AAPEMRRR 	C39H71N17O11S	985.524	NA	PeJP	NA	NA
+PJ116801	SPVRRWW 	C47H67N15O9	985.5247	NA	PeJP	NA	NA
+PJ116802	STTKKKMY 	C43H75N11O13S	985.5267	NA	PeJP	NA	NA
+PJ116803	TLLKYYW 	C51H71N9O11	985.5273	NA	PeJP	NA	NA
+PJ116804	PPVVLEFW 	C51H71N9O11	985.5274	NA	PeJP	NA	NA
+PJ116805	NNDRRRR 	C36H67N21O12	985.5279	NA	PeJP	NA	NA
+PJ116806	PLQMRRW 	C44H71N15O9S	985.528	NA	PeJP	NA	NA
+PJ116807	APTKEERR 	C40H71N15O14	985.5305	NA	PeJP	NA	NA
+PJ116808	GGGLLEERR 	C40H71N15O14	985.5306	NA	PeJP	NA	NA
+PJ116809	PVVLLEMW 	C48H75N9O11S	985.5307	NA	PeJP	NA	NA
+PJ116810	APPKMMRR 	C41H75N15O9S2	985.5314	NA	PeJP	NA	NA
+PJ116811	GQQRRRW 	C41H67N19O10	985.5319	NA	PeJP	NA	NA
+PJ116812	LLLLQEEE 	C44H75N9O16	985.5332	NA	PeJP	NA	NA
+PJ116813	APPTLLLMM 	C45H79N9O11S2	985.5341	NA	PeJP	NA	NA
+PJ116814	SSPLLQRW 	C45H71N13O12	985.5345	NA	PeJP	NA	NA
+PJ116815	GPTLKERW 	C45H71N13O12	985.5346	NA	PeJP	NA	NA
+PJ116816	GPCNKRRR 	C38H71N19O10S	985.5352	NA	PeJP	NA	NA
+PJ116817	PDMRRRR 	C38H71N19O10S	985.5353	NA	PeJP	NA	NA
+PJ116818	GKHFRRW 	C46H67N17O8	985.5359	NA	PeJP	NA	NA
+PJ116819	PPTKKEMR 	C42H75N13O12S	985.5379	NA	PeJP	NA	NA
+PJ116820	GGGGAAPLKKM 	C42H75N13O12S	985.538	NA	PeJP	NA	NA
+PJ116821	PLKKEWW 	C50H71N11O10	985.5386	NA	PeJP	NA	NA
+PJ116822	PCLRRRW 	C43H71N17O8S	985.5393	NA	PeJP	NA	NA
+PJ116823	LQEERRR 	C39H71N17O13	985.5418	NA	PeJP	NA	NA
+PJ116824	LLKMRYY 	C47H75N11O10S	985.5419	NA	PeJP	NA	NA
+PJ116825	SPPLKKMW 	C47H75N11O10S	985.542	NA	PeJP	NA	NA
+PJ116826	VLKFFFW 	C55H71N9O8	985.5426	NA	PeJP	NA	NA
+PJ116827	PQHHRRR 	C40H67N21O9	985.5431	NA	PeJP	NA	NA
+PJ116828	STTTTLLLH 	C43H75N11O15	985.5444	NA	PeJP	NA	NA
+PJ116829	VVLLEEER 	C43H75N11O15	985.5445	NA	PeJP	NA	NA
+PJ116830	TLLLKMMH 	C44H79N11O10S2	985.5453	NA	PeJP	NA	NA
+PJ116831	VLQERRW 	C44H71N15O11	985.5458	NA	PeJP	NA	NA
+PJ116832	ALLLLEEW 	C48H75N9O13	985.5485	NA	PeJP	NA	NA
+PJ116833	GPLKEMRR 	C41H75N15O11S	985.5492	NA	PeJP	NA	NA
+PJ116834	PTLKRWW 	C49H71N13O9	985.5498	NA	PeJP	NA	NA
+PJ116835	ASPLLLLEM 	C45H79N9O13S	985.5518	NA	PeJP	NA	NA
+PJ116836	GPTLLLLEM 	C45H79N9O13S	985.5519	NA	PeJP	NA	NA
+PJ116837	VDERRRR 	C38H71N19O12	985.553	NA	PeJP	NA	NA
+PJ116838	GPVLKMRW 	C46H75N13O9S	985.5532	NA	PeJP	NA	NA
+PJ116839	SPLKKEER 	C42H75N13O14	985.5557	NA	PeJP	NA	NA
+PJ116840	PPVKKMMR 	C43H79N13O9S2	985.5566	NA	PeJP	NA	NA
+PJ116841	ALERRRW 	C43H71N17O10	985.557	NA	PeJP	NA	NA
+PJ116842	SPVLKKEW 	C47H75N11O12	985.5597	NA	PeJP	NA	NA
+PJ116843	GPTLMRRR 	C40H75N17O10S	985.5604	NA	PeJP	NA	NA
+PJ116844	GLLRRWW 	C48H71N15O8	985.5611	NA	PeJP	NA	NA
+PJ116845	PLLQKKEM 	C44H79N11O12S	985.5631	NA	PeJP	NA	NA
+PJ116846	PPVVLLYW 	C52H75N9O10	985.5637	NA	PeJP	NA	NA
+PJ116847	SQQRRRR 	C37H71N21O11	985.5642	NA	PeJP	NA	NA
+PJ116848	GGGATRRRR 	C37H71N21O11	985.5643	NA	PeJP	NA	NA
+PJ116849	PLKMRRW 	C45H75N15O8S	985.5644	NA	PeJP	NA	NA
+PJ116850	GVLKEERR 	C41H75N15O13	985.5669	NA	PeJP	NA	NA
+PJ116851	GGGGGGAAVKKK 	C41H75N15O13	985.567	NA	PeJP	NA	NA
+PJ116852	PTLLLLMW 	C49H79N9O10S	985.5671	NA	PeJP	NA	NA
+PJ116853	GQKRRRW 	C42H71N19O9	985.5683	NA	PeJP	NA	NA
+PJ116854	LLLLKEEE 	C45H79N9O15	985.5696	NA	PeJP	NA	NA
+PJ116855	GPVLLLLMM 	C46H83N9O10S2	985.5705	NA	PeJP	NA	NA
+PJ116856	SSPLLKRW 	C46H75N13O11	985.5709	NA	PeJP	NA	NA
+PJ116857	AALLKERW 	C46H75N13O11	985.571	NA	PeJP	NA	NA
+PJ116858	PVVKKEMR 	C43H79N13O11S	985.5743	NA	PeJP	NA	NA
+PJ116859	LLLQKWW 	C51H75N11O9	985.575	NA	PeJP	NA	NA
+PJ116860	LKEERRR 	C40H75N17O12	985.5782	NA	PeJP	NA	NA
+PJ116861	APLLKKMW 	C48H79N11O9S	985.5783	NA	PeJP	NA	NA
+PJ116862	PKHHRRR 	C41H71N21O8	985.5795	NA	PeJP	NA	NA
+MJ099137	Dynastin 2 	C44H79N11O14	985.580796	NA	MeJP	NA	NA
+PJ116863	TLLLLEER 	C44H79N11O14	985.5808	NA	PeJP	NA	NA
+PJ116864	GGLLLKKEE 	C44H79N11O14	985.5809	NA	PeJP	NA	NA
+PJ116865	PLLLLMMR 	C45H83N11O9S2	985.5817	NA	PeJP	NA	NA
+PJ116866	VLKERRW 	C45H75N15O10	985.5822	NA	PeJP	NA	NA
+PJ116867	SLLLLLEW 	C49H79N9O12	985.5849	NA	PeJP	NA	NA
+PJ116868	AVLLQMRR 	C42H79N15O10S	985.5855	NA	PeJP	NA	NA
+PJ116869	SPVLKMRR 	C42H79N15O10S	985.5856	NA	PeJP	NA	NA
+PJ116870	VVLKRWW 	C50H75N13O8	985.5862	NA	PeJP	NA	NA
+PJ116871	AALLLLLEM 	C46H83N9O12S	985.5882	NA	PeJP	NA	NA
+PJ116872	TLERRRR 	C39H75N19O11	985.5894	NA	PeJP	NA	NA
+PJ116873	ALLKKEER 	C43H79N13O13	985.5921	NA	PeJP	NA	NA
+PJ116874	SLLRRRW 	C44H75N17O9	985.5934	NA	PeJP	NA	NA
+PJ116875	GLLLKKEW 	C48H79N11O11	985.5961	NA	PeJP	NA	NA
+PJ116876	AALLMRRR 	C41H79N17O9S	985.5968	NA	PeJP	NA	NA
+PJ116877	VLLLLEMR 	C45H83N11O11S	985.5995	NA	PeJP	NA	NA
+PJ116878	PVVLLLFW 	C53H79N9O9	985.6001	NA	PeJP	NA	NA
+PJ116879	SQKRRRR 	C38H75N21O10	985.6006	NA	PeJP	NA	NA
+PJ116880	ATLLKERR 	C42H79N15O12	985.6033	NA	PeJP	NA	NA
+PJ116881	VVLLLLMW 	C50H83N9O9S	985.6035	NA	PeJP	NA	NA
+PJ116882	GKKRRRW 	C43H75N19O8	985.6047	NA	PeJP	NA	NA
+PJ116883	ATTLLLLLE 	C46H83N9O14	985.606	NA	PeJP	NA	NA
+PJ116884	GTLLLKRW 	C47H79N13O10	985.6073	NA	PeJP	NA	NA
+PJ116885	VLMRRRR 	C40H79N19O8S	985.608	NA	PeJP	NA	NA
+PJ116886	PTLLKKMR 	C44H83N13O10S	985.6107	NA	PeJP	NA	NA
+PJ116887	LLLKKWW 	C52H79N11O8	985.6113	NA	PeJP	NA	NA
+PJ116888	ATTLLRRR 	C41H79N17O11	985.6145	NA	PeJP	NA	NA
+PJ116889	GVDKKKRR 	C41H79N17O11	985.6146	NA	PeJP	NA	NA
+PJ116890	VLLKKKEE 	C45H83N11O13	985.6172	NA	PeJP	NA	NA
+PJ116891	LQKKKRW 	C46H79N15O9	985.6186	NA	PeJP	NA	NA
+PJ116892	GPVVLLLLY 	C50H83N9O11	985.6212	NA	PeJP	NA	NA
+PJ116893	AAPLLLLLY 	C50H83N9O11	985.6213	NA	PeJP	NA	NA
+PJ116894	GLLLKMRR 	C43H83N15O9S	985.6219	NA	PeJP	NA	NA
+PJ116895	GTLLLLLLM 	C47H87N9O11S	985.6246	NA	PeJP	NA	NA
+PJ116896	DKKKRRR 	C40H79N19O10	985.6258	NA	PeJP	NA	NA
+PJ116897	SLLLKKER 	C44H83N13O12	985.6285	NA	PeJP	NA	NA
+PJ116898	SVLLLKKW 	C49H83N11O10	985.6325	NA	PeJP	NA	NA
+PJ116899	LLLLQKKM 	C46H87N11O10S	985.6359	NA	PeJP	NA	NA
+PJ116900	SKKRRRR 	C39H79N21O9	985.637	NA	PeJP	NA	NA
+PJ116901	STLLLKRR 	C43H83N15O11	985.6397	NA	PeJP	NA	NA
+PJ116902	STTLLLLLL 	C47H87N9O13	985.6424	NA	PeJP	NA	NA
+PJ116903	GVLKKKKW 	C48H83N13O9	985.6437	NA	PeJP	NA	NA
+PJ116904	VVLLKKMR 	C45H87N13O9S	985.6471	NA	PeJP	NA	NA
+PJ116905	GTLKKKRR 	C42H83N17O10	985.6509	NA	PeJP	NA	NA
+PJ116906	GTTLLLLKK 	C46H87N11O12	985.6536	NA	PeJP	NA	NA
+PJ116907	LKKKKRW 	C47H83N15O8	985.6549	NA	PeJP	NA	NA
+PJ116908	AALLLLLLF 	C51H87N9O10	985.6576	NA	PeJP	NA	NA
+PJ116909	VVKKKKKE 	C45H87N13O11	985.6648	NA	PeJP	NA	NA
+PJ116910	GATILKKKK 	C45H87N13O11	985.6649	NA	PeJP	NA	NA
+PJ116911	VLLLLLFR 	C50H87N11O9	985.6689	NA	PeJP	NA	NA
+PJ116912	LLLLKKKM 	C47H91N11O9S	985.6722	NA	PeJP	NA	NA
+PJ116913	SVLKKKKR 	C44H87N15O10	985.6761	NA	PeJP	NA	NA
+MJ099138	Copiamycin; 21-O-Demalonyl, 15-Me ether 	C52H95N3O14	985.681404	NA	MeJP	NA	NA
+PJ116914	TLLKKKKK 	C46H91N13O10	985.7012	NA	PeJP	NA	NA
+PJ116915	AKKKKKKK 	C45H91N15O9	985.7125	NA	PeJP	NA	NA
+PJ116916	GSCCCCCCCC 	C29H50N10O12S8	986.1376	NA	PeJP	NA	NA
+PJ116917	SCCCCCNDH 	C32H50N12O14S5	986.2173	NA	PeJP	NA	NA
+PJ116918	GGSCCCCCDH 	C32H50N12O14S5	986.2174	NA	PeJP	NA	NA
+PJ116919	PCCCCNDDD 	C33H50N10O17S4	986.2239	NA	PeJP	NA	NA
+PJ116920	CCCCDDYY 	C38H50N8O15S4	986.2279	NA	PeJP	NA	NA
+PJ116921	CCCCMMMY 	C36H58N8O10S7	986.2321	NA	PeJP	NA	NA
+PJ116922	GCCCCCQMH 	C33H54N12O11S6	986.236	NA	PeJP	NA	NA
+PJ116923	GCCNDDDDM 	C33H50N10O19S3	986.2416	NA	PeJP	NA	NA
+PJ116924	GSPPCCCCCD 	C34H54N10O14S5	986.2425	NA	PeJP	NA	NA
+PJ116925	CCCCDMFY 	C39H54N8O12S5	986.2465	NA	PeJP	NA	NA
+PJ116926	GCCCCCCHR 	C32H54N14O10S6	986.2472	NA	PeJP	NA	NA
+PJ116927	SCCCNNNDD 	C32H50N12O18S3	986.2529	NA	PeJP	NA	NA
+PJ116928	SSCCCCNMH 	C33H54N12O13S5	986.2537	NA	PeJP	NA	NA
+PJ116929	GGGGGAPCCCCC 	C33H54N12O13S5	986.2538	NA	PeJP	NA	NA
+PJ116930	CCCNDDEW 	C37H50N10O16S3	986.2569	NA	PeJP	NA	NA
+PJ116931	SSCCNDDDE 	C33H50N10O21S2	986.2594	NA	PeJP	NA	NA
+PJ116932	SPCCCNDDM 	C34H54N10O16S4	986.2603	NA	PeJP	NA	NA
+PJ116933	CCCEMMMH 	C35H58N10O11S6	986.2611	NA	PeJP	NA	NA
+PJ116934	DDDDDDDY 	C37H46N8O24	986.2625	NA	PeJP	NA	NA
+PJ116935	SCCCDMYY 	C39H54N8O14S4	986.2643	NA	PeJP	NA	NA
+PJ116936	CCCCMMFF 	C40H58N8O9S6	986.2651	NA	PeJP	NA	NA
+PJ116937	DDDDDMMM 	C35H54N8O19S3	986.2668	NA	PeJP	NA	NA
+PJ116938	GSSSTCCCCH 	C33H54N12O15S4	986.2715	NA	PeJP	NA	NA
+PJ116939	GCCCDDWW 	C41H50N10O13S3	986.2721	NA	PeJP	NA	NA
+PJ116940	PPCCCCCCR 	C34H58N12O10S6	986.2724	NA	PeJP	NA	NA
+PJ116941	GSSCCDDDW 	C37H50N10O18S2	986.2746	NA	PeJP	NA	NA
+PJ116942	GSPCCCCEW 	C38H54N10O13S4	986.2755	NA	PeJP	NA	NA
+PJ116943	GSSSSCDDDD 	C33H50N10O23S	986.2771	NA	PeJP	NA	NA
+PJ116944	GSCNDDDMM 	C34H54N10O18S3	986.278	NA	PeJP	NA	NA
+PJ116945	GPCCCNEMM 	C35H58N10O13S5	986.2789	NA	PeJP	NA	NA
+PJ116946	CCCCDFFF 	C43H54N8O11S4	986.2795	NA	PeJP	NA	NA
+PJ116947	DDDDDDMF 	C38H50N8O21S	986.2812	NA	PeJP	NA	NA
+PJ116948	GCCCCNNDR 	C32H54N14O14S4	986.2827	NA	PeJP	NA	NA
+PJ116949	ACCCMMYY 	C40H58N8O11S5	986.2829	NA	PeJP	NA	NA
+PJ116950	CDDDDMHH 	C36H50N12O17S2	986.2859	NA	PeJP	NA	NA
+PJ116951	CCCNNNMW 	C37H54N12O12S4	986.2867	NA	PeJP	NA	NA
+PJ116952	GGGGCCCNMW 	C37H54N12O12S4	986.2868	NA	PeJP	NA	NA
+PJ116953	SSSSSSCCCH 	C33H54N12O17S3	986.2892	NA	PeJP	NA	NA
+PJ116954	GSCCCDDER 	C33H54N12O17S3	986.2893	NA	PeJP	NA	NA
+PJ116955	GPCCCCDMR 	C34H58N12O12S5	986.2901	NA	PeJP	NA	NA
+PJ116956	SPCCCCWW 	C42H54N10O10S4	986.2908	NA	PeJP	NA	NA
+PJ116957	CNNDDDEY 	C37H50N10O20S	986.2924	NA	PeJP	NA	NA
+PJ116958	SCCNDEMW 	C38H54N10O15S3	986.2933	NA	PeJP	NA	NA
+PJ116959	PCCCNMMW 	C39H58N10O10S5	986.2941	NA	PeJP	NA	NA
+PJ116960	SSSCNDDEM 	C34H54N10O20S2	986.2958	NA	PeJP	NA	NA
+PJ116961	CNNDEMMM 	C35H58N10O15S4	986.2966	NA	PeJP	NA	NA
+PJ116962	GGGGCDEMMM 	C35H58N10O15S4	986.2967	NA	PeJP	NA	NA
+PJ116963	GSCCNDDHH 	C35H50N14O16S2	986.2971	NA	PeJP	NA	NA
+PJ116964	GCCCEFYY 	C43H54N8O13S3	986.2973	NA	PeJP	NA	NA
+PJ116965	TCCMMMMH 	C36H62N10O10S6	986.2975	NA	PeJP	NA	NA
+PJ116966	GPCCCCQHH 	C36H54N14O11S4	986.298	NA	PeJP	NA	NA
+PJ116967	SDDDDEEY 	C38H50N8O23	986.2989	NA	PeJP	NA	NA
+PJ116968	PCDDDEMY 	C39H54N8O18S2	986.2998	NA	PeJP	NA	NA
+PJ116969	SSCCMMYY 	C40H58N8O13S4	986.3006	NA	PeJP	NA	NA
+PJ116970	SDDEEMMM 	C36H58N8O18S3	986.3032	NA	PeJP	NA	NA
+PJ116971	GPCNDDDDH 	C36H50N12O19S	986.3036	NA	PeJP	NA	NA
+PJ116972	GGGPCDDDDH 	C36H50N12O19S	986.3037	NA	PeJP	NA	NA
+PJ116973	PCDEMMMM 	C37H62N8O13S5	986.304	NA	PeJP	NA	NA
+PJ116974	SCCCDDRW 	C37H54N12O14S3	986.3045	NA	PeJP	NA	NA
+PJ116975	SSSCCDDDR 	C33H54N12O19S2	986.307	NA	PeJP	NA	NA
+PJ116976	GCNDDDYW 	C41H50N10O17S	986.3077	NA	PeJP	NA	NA
+PJ116977	CCNDDMMR 	C34H58N12O14S4	986.3079	NA	PeJP	NA	NA
+PJ116978	GSCCDMWW 	C42H54N10O12S3	986.3085	NA	PeJP	NA	NA
+PJ116979	GSSNDDDDY 	C37H50N10O22	986.3102	NA	PeJP	NA	NA
+PJ116980	GSSSCDDMW 	C38H54N10O17S2	986.311	NA	PeJP	NA	NA
+PJ116981	GCNDMMMW 	C39H58N10O12S4	986.3119	NA	PeJP	NA	NA
+PJ116982	CCCFYYW 	C47H54N8O10S3	986.3125	NA	PeJP	NA	NA
+PJ116983	GSSSSSDDDM 	C34H54N10O22S	986.3135	NA	PeJP	NA	NA
+PJ116984	GSSNDDMMM 	C35H58N10O17S3	986.3144	NA	PeJP	NA	NA
+PJ116985	GSCCEYYY 	C43H54N8O15S2	986.315	NA	PeJP	NA	NA
+PJ116986	GSPCCQMMM 	C36H62N10O12S5	986.3153	NA	PeJP	NA	NA
+PJ116987	CCNNEMHH 	C36H54N14O13S3	986.3157	NA	PeJP	NA	NA
+PJ116988	GGGGCCEMHH 	C36H54N14O13S3	986.3158	NA	PeJP	NA	NA
+PJ116989	ACCCMFFY 	C44H58N8O10S4	986.3159	NA	PeJP	NA	NA
+PJ116990	GDDEEEMY 	C39H54N8O20S	986.3176	NA	PeJP	NA	NA
+PJ116991	PCDDEMMF 	C40H58N8O15S3	986.3184	NA	PeJP	NA	NA
+PJ116992	CCCCDERR 	C33H58N14O13S4	986.3191	NA	PeJP	NA	NA
+PJ116993	CCCNNHFF 	C41H54N12O11S3	986.3198	NA	PeJP	NA	NA
+PJ116994	NNDDDEEH 	C36H50N12O21	986.3214	NA	PeJP	NA	NA
+PJ116995	GEEEMMMM 	C37H62N8O15S4	986.3218	NA	PeJP	NA	NA
+PJ116996	SSSSCCNNW 	C37H54N12O16S2	986.3222	NA	PeJP	NA	NA
+PJ116997	GGSSSSCCNW 	C37H54N12O16S2	986.3223	NA	PeJP	NA	NA
+PJ116998	GCCCEMRW 	C38H58N12O11S4	986.3231	NA	PeJP	NA	NA
+PJ116999	TCCCWWW 	C46H54N10O9S3	986.3238	NA	PeJP	NA	NA
+PJ117000	SSSSSSCNND 	C33H54N12O21S	986.3247	NA	PeJP	NA	NA
+PJ117001	GGSSSSSSCND 	C33H54N12O21S	986.3248	NA	PeJP	NA	NA
+PJ117002	GSSCCDEMR 	C34H58N12O16S3	986.3256	NA	PeJP	NA	NA
+PJ117003	SSSCCEWW 	C42H54N10O14S2	986.3263	NA	PeJP	NA	NA
+PJ117004	GSPCCCMMR 	C35H62N12O11S5	986.3265	NA	PeJP	NA	NA
+FL5FAAGI0014	Diphylloside C	C44H58O25	986.32671	125028-59-3	knapsack	NA	NA
+MJ099139	3,4',5,7-Tetrahydroxy-8-prenylflavone; 3-O-[?-D-Glucopyranosyl-(1?2)-?-L-rhamnopyranoside], 7-O-[?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H58O25	986.326717	NA	MeJP	NA	NA
+PJ117005	CCCNDHHR 	C35H54N16O12S3	986.327	NA	PeJP	NA	NA
+PJ117006	CCQMMWW 	C43H58N10O9S4	986.3271	NA	PeJP	NA	NA
+PJ117007	GACCMMWW 	C43H58N10O9S4	986.3272	NA	PeJP	NA	NA
+PJ117008	SSSSSCDEW 	C38H54N10O19S	986.3288	NA	PeJP	NA	NA
+PJ117009	SSCNEMMW 	C39H58N10O14S3	986.3296	NA	PeJP	NA	NA
+PJ117010	GGSSCEMMW 	C39H58N10O14S3	986.3297	NA	PeJP	NA	NA
+PJ117011	SCCYYYW 	C47H54N8O12S2	986.3303	NA	PeJP	NA	NA
+PJ117012	GCMMMMHF 	C40H62N10O9S5	986.3305	NA	PeJP	NA	NA
+PJ117013	GCCNMHHW 	C40H54N14O10S3	986.331	NA	PeJP	NA	NA
+PJ117014	SSSSSSSDDE 	C34H54N10O24	986.3313	NA	PeJP	NA	NA
+PJ117015	SSSSNDEMM 	C35H58N10O19S2	986.3321	NA	PeJP	NA	NA
+PJ117016	GGSSSSDEMM 	C35H58N10O19S2	986.3322	NA	PeJP	NA	NA
+PJ117017	GSNNNDDDH 	C35H50N14O20	986.3326	NA	PeJP	NA	NA
+PJ117018	GGGGGGGSDDDH 	C35H50N14O20	986.3327	NA	PeJP	NA	NA
+PJ117019	DDEEMYW 	C43H54N8O17S	986.3328	NA	PeJP	NA	NA
+PJ117020	SNNEMMMM 	C36H62N10O14S4	986.333	NA	PeJP	NA	NA
+PJ117021	GSSCNDMHH 	C36H54N14O15S2	986.3335	NA	PeJP	NA	NA
+PJ117022	CNMMYYY 	C44H58N8O12S3	986.3337	NA	PeJP	NA	NA
+PJ117023	GPCCCCKHH 	C37H58N14O10S4	986.3344	NA	PeJP	NA	NA
+PJ117024	SSDEEEEY 	C39H54N8O22	986.3353	NA	PeJP	NA	NA
+PJ117025	SPDDEMMY 	C40H58N8O17S2	986.3362	NA	PeJP	NA	NA
+PJ117026	GNDDDEHW 	C40H50N12O18	986.3367	NA	PeJP	NA	NA
+PJ117027	SSSCCCNQR 	C33H58N14O15S3	986.3369	NA	PeJP	NA	NA
+PJ117028	EEMMMMW 	C41H62N8O12S4	986.337	NA	PeJP	NA	NA
+PJ117029	GCCNNQYW 	C41H54N12O13S2	986.3375	NA	PeJP	NA	NA
+PJ117030	CCCMRWW 	C42H58N12O8S4	986.3384	NA	PeJP	NA	NA
+PJ117031	STEEEMMM 	C37H62N8O17S3	986.3395	NA	PeJP	NA	NA
+PJ117032	SCNDDDRY 	C37H54N12O18S	986.34	NA	PeJP	NA	NA
+PJ117033	SPEMMMMM 	C38H66N8O12S5	986.3404	NA	PeJP	NA	NA
+PJ117034	SSCCDMRW 	C38H58N12O13S3	986.3409	NA	PeJP	NA	NA
+PJ117035	SCDDHHHH 	C38H50N16O14S	986.3414	NA	PeJP	NA	NA
+PJ117036	CCNEFWW 	C46H54N10O11S2	986.3415	NA	PeJP	NA	NA
+PJ117037	SSSSCDDMR 	C34H58N12O18S2	986.3434	NA	PeJP	NA	NA
+PJ117038	GSNDDMYW 	C42H54N10O16S	986.344	NA	PeJP	NA	NA
+PJ117039	GGGGPCDDFY 	C42H54N10O16S	986.3441	NA	PeJP	NA	NA
+PJ117040	SCNDMMMR 	C35H62N12O13S4	986.3442	NA	PeJP	NA	NA
+PJ117041	GGSCDMMMR 	C35H62N12O13S4	986.3443	NA	PeJP	NA	NA
+PJ117042	GSSCMMWW 	C43H58N10O11S3	986.3449	NA	PeJP	NA	NA
+PJ117043	GSSSNDEEY 	C38H54N10O21	986.3465	NA	PeJP	NA	NA
+PJ117044	GEEEEEEH 	C38H54N10O21	986.3466	NA	PeJP	NA	NA
+PJ117045	GSSSSDMMW 	C39H58N10O16S2	986.3474	NA	PeJP	NA	NA
+PJ117046	PDDDDHHH 	C39H50N14O17	986.3479	NA	PeJP	NA	NA
+PJ117047	CNDFYYY 	C47H54N8O14S	986.348	NA	PeJP	NA	NA
+PJ117048	GGCDFYYY 	C47H54N8O14S	986.3481	NA	PeJP	NA	NA
+PJ117049	GSNMMMMW 	C40H62N10O11S4	986.3483	NA	PeJP	NA	NA
+PJ117050	SSCCQHHW 	C40H54N14O12S2	986.3487	NA	PeJP	NA	NA
+PJ117051	GGSTCCHHW 	C40H54N14O12S2	986.3488	NA	PeJP	NA	NA
+PJ117052	ACCCFFFF 	C48H58N8O9S3	986.3489	NA	PeJP	NA	NA
+PJ117053	GSSSSSSEEM 	C35H58N10O21S	986.3499	NA	PeJP	NA	NA
+PJ117054	GPDDEEYY 	C43H54N8O19	986.3506	NA	PeJP	NA	NA
+PJ117055	GSSSQEMMM 	C36H62N10O16S3	986.3508	NA	PeJP	NA	NA
+PJ117056	SSSSCNEHH 	C36H54N14O17S	986.3512	NA	PeJP	NA	NA
+PJ117057	GGSSSSCEHH 	C36H54N14O17S	986.3513	NA	PeJP	NA	NA
+PJ117058	DEEMMFW 	C44H58N8O14S2	986.3514	NA	PeJP	NA	NA
+PJ117059	GQQMMMMM 	C37H66N10O11S5	986.3516	NA	PeJP	NA	NA
+PJ117060	GGAQMMMMM 	C37H66N10O11S5	986.3517	NA	PeJP	NA	NA
+PJ117061	NDDDHWW 	C44H50N12O15	986.3519	NA	PeJP	NA	NA
+PJ117062	CCCNNQFR 	C37H58N14O12S3	986.3521	NA	PeJP	NA	NA
+PJ117063	GTEEEEMY 	C40H58N8O19S	986.3539	NA	PeJP	NA	NA
+PJ117064	GSSSSSCCNR 	C33H58N14O17S2	986.3546	NA	PeJP	NA	NA
+PJ117065	GPEEMMMY 	C41H62N8O14S3	986.3548	NA	PeJP	NA	NA
+PJ117066	SSCNNNYW 	C41H54N12O15S	986.3553	NA	PeJP	NA	NA
+PJ117067	SCCCEMRR 	C34H62N14O12S4	986.3555	NA	PeJP	NA	NA
+PJ117068	PPCMMMMF 	C42H66N8O9S5	986.3557	NA	PeJP	NA	NA
+PJ117069	GPCCCRYW 	C42H58N12O10S3	986.3561	NA	PeJP	NA	NA
+PJ117070	GGPPCCMHW 	C42H58N12O10S3	986.3562	NA	PeJP	NA	NA
+PJ117071	GCCFWWW 	C50H54N10O8S2	986.3568	NA	PeJP	NA	NA
+PJ117072	SSSSNNNDY 	C37H54N12O20	986.3578	NA	PeJP	NA	NA
+PJ117073	SVEEMMMM 	C38H66N8O14S4	986.3582	NA	PeJP	NA	NA
+PJ117074	GCNDEMRY 	C38H58N12O15S2	986.3586	NA	PeJP	NA	NA
+PJ117075	GGGCDEMRY 	C38H58N12O15S2	986.3587	NA	PeJP	NA	NA
+PJ117076	PCLMMMMM 	C39H70N8O9S6	986.359	NA	PeJP	NA	NA
+PJ117077	SCNEYWW 	C46H54N10O13S	986.3593	NA	PeJP	NA	NA
+PJ117078	GTCCMMRW 	C39H62N12O10S4	986.3595	NA	PeJP	NA	NA
+PJ117079	GCEMHHHH 	C39H54N16O11S2	986.36	NA	PeJP	NA	NA
+PJ117080	SSSSSSSNNM 	C34H58N12O20S	986.3611	NA	PeJP	NA	NA
+PJ117081	SSSNDEYW 	C42H54N10O18	986.3618	NA	PeJP	NA	NA
+PJ117082	GSSSCEMMR 	C35H62N12O15S3	986.362	NA	PeJP	NA	NA
+PJ117083	CNNNDDHR 	C35H54N16O16S	986.3625	NA	PeJP	NA	NA
+PJ117084	SSSTCMWW 	C43H58N10O13S2	986.3627	NA	PeJP	NA	NA
+PJ117085	GCQMMMMR 	C36H66N12O10S5	986.3629	NA	PeJP	NA	NA
+PJ117086	SCCNMHHR 	C36H58N16O11S3	986.3634	NA	PeJP	NA	NA
+PJ117087	CCKMMWW 	C44H62N10O8S4	986.3635	NA	PeJP	NA	NA
+PJ117088	GCCHHHFF 	C44H54N14O9S2	986.364	NA	PeJP	NA	NA
+PJ117089	SSSSSSEMW 	C39H58N10O18S	986.3652	NA	PeJP	NA	NA
+PJ117090	PDDEYYW 	C47H54N8O16	986.3658	NA	PeJP	NA	NA
+PJ117091	SSSQMMMW 	C40H62N10O13S3	986.366	NA	PeJP	NA	NA
+PJ117092	GGGGAEMMMF 	C40H62N10O13S3	986.3661	NA	PeJP	NA	NA
+PJ117093	GSSSSCHHW 	C40H54N14O14S	986.3665	NA	PeJP	NA	NA
+PJ117094	CNMFFYY 	C48H58N8O11S2	986.3667	NA	PeJP	NA	NA
+PJ117095	ACCCKHHW 	C41H58N14O9S3	986.3674	NA	PeJP	NA	NA
+PJ117096	SSSSSSSTEE 	C35H58N10O23	986.3676	NA	PeJP	NA	NA
+PJ117097	SSSSSSTTDE 	C35H58N10O23	986.3677	NA	PeJP	NA	NA
+PJ117098	SSSSTQEMM 	C36H62N10O18S2	986.3685	NA	PeJP	NA	NA
+PJ117099	SNDDDEHR 	C36H54N14O19	986.369	NA	PeJP	NA	NA
+PJ117100	GGGGGGGGGGGPDE 	C36H54N14O19	986.3691	NA	PeJP	NA	NA
+PJ117101	TEEEMYW 	C44H58N8O16S	986.3692	NA	PeJP	NA	NA
+PJ117102	SNDKMMMM 	C37H66N10O13S4	986.3694	NA	PeJP	NA	NA
+PJ117103	GCCDDRRY 	C37H58N14O14S2	986.3699	NA	PeJP	NA	NA
+PJ117104	PEMMMYW 	C45H62N8O11S3	986.3701	NA	PeJP	NA	NA
+PJ117105	GSPCDHWW 	C45H54N12O12S	986.3705	NA	PeJP	NA	NA
+PJ117106	PCCCCFRR 	C38H62N14O9S4	986.3708	NA	PeJP	NA	NA
+PJ117107	STTEEEEY 	C40H58N8O21	986.3717	NA	PeJP	NA	NA
+PJ117108	GVEEEMMY 	C41H62N8O16S2	986.3726	NA	PeJP	NA	NA
+PJ117109	GSNEEEHW 	C41H54N12O17	986.373	NA	PeJP	NA	NA
+PJ117110	GGGGGGGGGEYY 	C41H54N12O17	986.3731	NA	PeJP	NA	NA
+PJ117111	SSSCCCNKR 	C34H62N14O14S3	986.3732	NA	PeJP	NA	NA
+PJ117112	GGSSSCCCKR 	C34H62N14O14S3	986.3733	NA	PeJP	NA	NA
+PJ117113	SPPMMMMY 	C42H66N8O11S4	986.3734	NA	PeJP	NA	NA
+PJ117114	CNDMRYW 	C42H58N12O12S2	986.3739	NA	PeJP	NA	NA
+PJ117115	GCCMMMRR 	C35H66N14O9S5	986.3741	NA	PeJP	NA	NA
+PJ117116	GSCYWWW 	C50H54N10O10S	986.3745	NA	PeJP	NA	NA
+PJ117117	CMHHHHW 	C43H54N16O8S2	986.3752	NA	PeJP	NA	NA
+PJ117118	SSNDDMRY 	C38H58N12O17S	986.3764	NA	PeJP	NA	NA
+PJ117119	ALEMMMMM 	C39H70N8O11S5	986.3768	NA	PeJP	NA	NA
+PJ117120	GSSSDYWW 	C46H54N10O15	986.377	NA	PeJP	NA	NA
+PJ117121	GPPDDDWW 	C46H54N10O15	986.3771	NA	PeJP	NA	NA
+PJ117122	SSSCMMRW 	C39H62N12O12S3	986.3773	NA	PeJP	NA	NA
+PJ117123	SSDMHHHH 	C39H54N16O13S	986.3777	NA	PeJP	NA	NA
+PJ117124	GGPCNEHHH 	C39H54N16O13S	986.3778	NA	PeJP	NA	NA
+PJ117125	GNMMYWW 	C47H58N10O10S2	986.3779	NA	PeJP	NA	NA
+PJ117126	GSSSSSSSSSQ 	C34H58N12O22	986.3789	NA	PeJP	NA	NA
+PJ117127	SSSSSDMMR 	C35H62N12O17S2	986.3798	NA	PeJP	NA	NA
+PJ117128	SSSNNNNNH 	C35H54N16O18	986.3802	NA	PeJP	NA	NA
+PJ117129	GGGGGGSSSNNH 	C35H54N16O18	986.3803	NA	PeJP	NA	NA
+PJ117130	GSSQEMYW 	C43H58N10O15S	986.3804	NA	PeJP	NA	NA
+PJ117131	SSNMMMMR 	C36H66N12O12S4	986.3806	NA	PeJP	NA	NA
+PJ117132	GGGTCCCKKM 	C36H66N12O12S4	986.3807	NA	PeJP	NA	NA
+PJ117133	GSSTCCHHR 	C36H58N16O13S2	986.3811	NA	PeJP	NA	NA
+PJ117134	GPCCKMYW 	C44H62N10O10S3	986.3813	NA	PeJP	NA	NA
+PJ117135	CNNQHWW 	C44H54N14O11S	986.3817	NA	PeJP	NA	NA
+PJ117136	GGCNQHWW 	C44H54N14O11S	986.3818	NA	PeJP	NA	NA
+PJ117137	GSSSTQEEY 	C39H58N10O20	986.3829	NA	PeJP	NA	NA
+PJ117138	GSSSTTMMW 	C40H62N10O15S2	986.3838	NA	PeJP	NA	NA
+PJ117139	GSDDDHRW 	C40H54N14O16	986.3843	NA	PeJP	NA	NA
+PJ117140	PDEMFYW 	C48H58N8O13S	986.3844	NA	PeJP	NA	NA
+PJ117141	PPCDDFFF 	C48H58N8O13S	986.3845	NA	PeJP	NA	NA
+PJ117142	GTCKMMMW 	C41H66N10O10S4	986.3847	NA	PeJP	NA	NA
+PJ117143	GPCCEHRW 	C41H58N14O11S2	986.3851	NA	PeJP	NA	NA
+PJ117144	GGGGGMMHHF 	C41H58N14O11S2	986.3852	NA	PeJP	NA	NA
+PJ117145	GSSSSTTTEM 	C36H62N10O20S	986.3863	NA	PeJP	NA	NA
+PJ117146	GPTEEEYY 	C44H58N8O18	986.3869	NA	PeJP	NA	NA
+PJ117147	AAEEEEFY 	C44H58N8O18	986.387	NA	PeJP	NA	NA
+PJ117148	ASSTTQMMM 	C37H66N10O15S3	986.3871	NA	PeJP	NA	NA
+PJ117149	GSSSKEMMM 	C37H66N10O15S3	986.3872	NA	PeJP	NA	NA
+PJ117150	GSSSCNNRY 	C37H58N14O16S	986.3876	NA	PeJP	NA	NA
+PJ117151	GGGDEEMHR 	C37H58N14O16S	986.3877	NA	PeJP	NA	NA
+PJ117152	VEEMMYW 	C45H62N8O13S2	986.3878	NA	PeJP	NA	NA
+PJ117153	GQKMMMMM 	C38H70N10O10S5	986.388	NA	PeJP	NA	NA
+PJ117154	SNEEHWW 	C45H54N12O14	986.3883	NA	PeJP	NA	NA
+PJ117155	SPCCCRRY 	C38H62N14O11S3	986.3885	NA	PeJP	NA	NA
+PJ117156	ACCRYWW 	C46H58N12O9S2	986.3891	NA	PeJP	NA	NA
+PJ117157	PCQMHWW 	C46H58N12O9S2	986.3892	NA	PeJP	NA	NA
+PJ117158	SSLEEEMY 	C41H62N8O18S	986.3903	NA	PeJP	NA	NA
+PJ117159	SPVEMMMY 	C42H66N8O13S3	986.3912	NA	PeJP	NA	NA
+PJ117160	GNNNQMFY 	C42H58N12O14S	986.3916	NA	PeJP	NA	NA
+PJ117161	GSSCERYW 	C42H58N12O14S	986.3917	NA	PeJP	NA	NA
+PJ117162	STCCMMRR 	C35H66N14O11S4	986.3919	NA	PeJP	NA	NA
+PJ117163	GNDFYWW 	C50H54N10O12	986.3923	NA	PeJP	NA	NA
+PJ117164	CNMMFRW 	C43H62N12O9S3	986.3925	NA	PeJP	NA	NA
+PJ117165	GPCNHHHW 	C43H54N16O10S	986.393	NA	PeJP	NA	NA
+PJ117166	GSSSSDERY 	C38H58N12O19	986.3941	NA	PeJP	NA	NA
+PJ117167	GSSSTDDRY 	C38H58N12O19	986.3942	NA	PeJP	NA	NA
+PJ117168	TTLEMMMM 	C39H70N8O13S4	986.3946	NA	PeJP	NA	NA
+PJ117169	GSNEMMRY 	C39H62N12O14S2	986.395	NA	PeJP	NA	NA
+PJ117170	GGGGGGPPPTCM 	C39H62N12O14S2	986.3951	NA	PeJP	NA	NA
+PJ117171	NNNNNNHF 	C39H54N16O15	986.3955	NA	PeJP	NA	NA
+PJ117172	SSQMYWW 	C47H58N10O12S	986.3957	NA	PeJP	NA	NA
+PJ117173	PCCCKMFR 	C40H66N12O9S4	986.3959	NA	PeJP	NA	NA
+PJ117174	GCCQHHFR 	C40H58N16O10S2	986.3964	NA	PeJP	NA	NA
+PJ117175	SSSSSSSCQK 	C35H62N12O19S	986.3975	NA	PeJP	NA	NA
+PJ117176	SSSTQEYW 	C43H58N10O17	986.3982	NA	PeJP	NA	NA
+PJ117177	GSSSTMMMR 	C36H66N12O14S3	986.3984	NA	PeJP	NA	NA
+PJ117178	GCDDEHRR 	C36H58N16O15S	986.3989	NA	PeJP	NA	NA
+PJ117179	NDKMMYW 	C44H62N10O12S2	986.399	NA	PeJP	NA	NA
+PJ117180	GGDKMMYW 	C44H62N10O12S2	986.3991	NA	PeJP	NA	NA
+PJ117181	GCKMMMMR 	C37H70N12O9S5	986.3993	NA	PeJP	NA	NA
+PJ117182	GSSNNHWW 	C44H54N14O13	986.3995	NA	PeJP	NA	NA
+PJ117183	CNFFFFY 	C52H58N8O10S	986.3997	NA	PeJP	NA	NA
+PJ117184	PCCHRWW 	C45H58N14O8S2	986.4004	NA	PeJP	NA	NA
+PJ117185	SSSSTTTMW 	C40H62N10O17S	986.4015	NA	PeJP	NA	NA
+PJ117186	GGSSKEEMY 	C40H62N10O17S	986.4016	NA	PeJP	NA	NA
+PJ117187	PTEEYYW 	C48H58N8O15	986.4022	NA	PeJP	NA	NA
+PJ117188	SSSKMMMW 	C41H66N10O12S3	986.4024	NA	PeJP	NA	NA
+PJ117189	NDEMHRW 	C41H58N14O13S	986.4029	NA	PeJP	NA	NA
+PJ117190	PPMMYYW 	C49H62N8O10S2	986.4031	NA	PeJP	NA	NA
+PJ117191	GSEHWWW 	C49H54N12O11	986.4035	NA	PeJP	NA	NA
+PJ117192	SSSSSTTTTE 	C36H62N10O22	986.404	NA	PeJP	NA	NA
+PJ117193	SSSSTKEMM 	C37H66N10O17S2	986.4049	NA	PeJP	NA	NA
+PJ117194	SSNEEEHR 	C37H58N14O18	986.4054	NA	PeJP	NA	NA
+PJ117195	GPVEEMYY 	C45H62N8O15S	986.4056	NA	PeJP	NA	NA
+PJ117196	STQKMMMM 	C38H70N10O12S4	986.4058	NA	PeJP	NA	NA
+PJ117197	SCCNNKRY 	C38H62N14O13S2	986.4062	NA	PeJP	NA	NA
+PJ117198	GSCDMRRY 	C38H62N14O13S2	986.4063	NA	PeJP	NA	NA
+PJ117199	LEMMMFW 	C46H66N8O10S3	986.4064	NA	PeJP	NA	NA
+PJ117200	GNDDHHHR 	C38H54N18O14	986.4067	NA	PeJP	NA	NA
+PJ117201	GGGDDHHHR 	C38H54N18O14	986.4068	NA	PeJP	NA	NA
+PJ117202	SSCRYWW 	C46H58N12O11S	986.4069	NA	PeJP	NA	NA
+PJ117203	ATLEEMMY 	C42H66N8O15S2	986.4089	NA	PeJP	NA	NA
+PJ117204	SSSSDRYW 	C42H58N12O16	986.4094	NA	PeJP	NA	NA
+PJ117205	APLMMMMY 	C43H70N8O10S4	986.4098	NA	PeJP	NA	NA
+PJ117206	SNMMRYW 	C43H62N12O11S2	986.4103	NA	PeJP	NA	NA
+PJ117207	QEHHHHY 	C43H54N16O12	986.4107	NA	PeJP	NA	NA
+PJ117208	NQEHHHW 	C43H54N16O12	986.4108	NA	PeJP	NA	NA
+PJ117209	GNMFFWW 	C51H58N10O9S	986.4109	NA	PeJP	NA	NA
+PJ117210	SSSQEMRY 	C39H62N12O16S	986.4128	NA	PeJP	NA	NA
+PJ117211	SLLMMMMM 	C40H74N8O10S5	986.4132	NA	PeJP	NA	NA
+PJ117212	GSSTTYWW 	C47H58N10O14	986.4134	NA	PeJP	NA	NA
+PJ117213	GGGGSPDFFF 	C47H58N10O14	986.4135	NA	PeJP	NA	NA
+PJ117214	QQMMMRY 	C40H66N12O11S3	986.4136	NA	PeJP	NA	NA
+PJ117215	GAQMMMRY 	C40H66N12O11S3	986.4137	NA	PeJP	NA	NA
+PJ117216	CDDHRRW 	C40H58N16O12S	986.4141	NA	PeJP	NA	NA
+PJ117217	ACKMYWW 	C48H62N10O9S2	986.4143	NA	PeJP	NA	NA
+PJ117218	GSSSSSSSSSK 	C35H62N12O21	986.4153	NA	PeJP	NA	NA
+PJ117219	SSSSTTMMR 	C36H66N12O16S2	986.4161	NA	PeJP	NA	NA
+PJ117220	ASSSSSCCKK 	C36H66N12O16S2	986.4162	NA	PeJP	NA	NA
+PJ117221	SSDDDHRR 	C36H58N16O17	986.4166	NA	PeJP	NA	NA
+PJ117222	GGGGGGGSPNDR 	C36H58N16O17	986.4167	NA	PeJP	NA	NA
+PJ117223	GSSKEMYW 	C44H62N10O14S	986.4168	NA	PeJP	NA	NA
+PJ117224	STCKMMMR 	C37H70N12O11S4	986.417	NA	PeJP	NA	NA
+PJ117225	GQFFYYY 	C52H58N8O12	986.4174	NA	PeJP	NA	NA
+PJ117226	PPDFYYW 	C52H58N8O12	986.4175	NA	PeJP	NA	NA
+PJ117227	NKMMMFW 	C45H66N10O9S3	986.4177	NA	PeJP	NA	NA
+PJ117228	ACEHRWW 	C45H58N14O10S	986.4181	NA	PeJP	NA	NA
+PJ117229	GDMHRWW 	C45H58N14O10S	986.4182	NA	PeJP	NA	NA
+PJ117230	SHWWWW 	C53H54N12O8	986.4188	NA	PeJP	NA	NA
+PJ117231	GSSSTKEEY 	C40H62N10O19	986.4193	NA	PeJP	NA	NA
+PJ117232	GTQKEMMY 	C41H66N10O14S2	986.4202	NA	PeJP	NA	NA
+PJ117233	SSNNDKHW 	C41H58N14O15	986.4206	NA	PeJP	NA	NA
+PJ117234	GSSEEHRW 	C41H58N14O15	986.4207	NA	PeJP	NA	NA
+PJ117235	PVEMYYW 	C49H62N8O12S	986.4208	NA	PeJP	NA	NA
+PJ117236	PCCKKMMF 	C42H70N10O9S4	986.4211	NA	PeJP	NA	NA
+PJ117237	TCCRRYW 	C42H62N14O10S2	986.4215	NA	PeJP	NA	NA
+PJ117238	GPEHHHHH 	C42H54N18O11	986.422	NA	PeJP	NA	NA
+PJ117239	AAMHWWW 	C50H58N12O8S	986.4222	NA	PeJP	NA	NA
+PJ117240	SSSSSSTTLM 	C37H66N10O19S	986.4227	NA	PeJP	NA	NA
+PJ117241	AALEEEYY 	C45H62N8O17	986.4233	NA	PeJP	NA	NA
+PJ117242	GSTTTKMMM 	C38H70N10O14S3	986.4235	NA	PeJP	NA	NA
+PJ117243	SSSCERRY 	C38H62N14O15S	986.424	NA	PeJP	NA	NA
+PJ117244	GGGGGGGGGPVQM 	C38H62N14O15S	986.4241	NA	PeJP	NA	NA
+PJ117245	SPPVMMYY 	C46H66N8O12S2	986.4242	NA	PeJP	NA	NA
+PJ117246	GKKMMMMM 	C39H74N10O9S5	986.4244	NA	PeJP	NA	NA
+PJ117247	SDKEHWW 	C46H58N12O13	986.4247	NA	PeJP	NA	NA
+PJ117248	CQMMRRY 	C39H66N14O10S3	986.4249	NA	PeJP	NA	NA
+PJ117249	SPCNHHHR 	C39H58N18O11S	986.4254	NA	PeJP	NA	NA
+PJ117250	PCKMHWW 	C47H62N12O8S2	986.4255	NA	PeJP	NA	NA
+PJ117251	GQHHHWW 	C47H54N16O9	986.426	NA	PeJP	NA	NA
+PJ117252	TTTLEEMY 	C42H66N8O17S	986.4267	NA	PeJP	NA	NA
+PJ117253	GLLEMMMY 	C43H70N8O12S3	986.4276	NA	PeJP	NA	NA
+PJ117254	NNNNNNQR 	C35H58N18O16	986.4278	NA	PeJP	NA	NA
+PJ117255	GGNNNNNQR 	C35H58N18O16	986.4279	NA	PeJP	NA	NA
+PJ117256	GSSTMRYW 	C43H62N12O13S	986.428	NA	PeJP	NA	NA
+PJ117257	GPPDEMRW 	C43H62N12O13S	986.4281	NA	PeJP	NA	NA
+PJ117258	SPPEWWW 	C51H58N10O11	986.4287	NA	PeJP	NA	NA
+PJ117259	GGGGGCMHRR 	C36H62N18O11S2	986.4288	NA	PeJP	NA	NA
+PJ117260	AAMHHHHF 	C44H58N16O9S	986.4294	NA	PeJP	NA	NA
+PJ117261	GSSSTTERY 	C39H62N12O18	986.4305	NA	PeJP	NA	NA
+PJ117262	APQEEEER 	C39H62N12O18	986.4306	NA	PeJP	NA	NA
+PJ117263	GSDKMMRY 	C40H66N12O13S2	986.4314	NA	PeJP	NA	NA
+PJ117264	SSSNNHRW 	C40H58N16O14	986.4319	NA	PeJP	NA	NA
+PJ117265	SSKMYWW 	C48H62N10O11S	986.432	NA	PeJP	NA	NA
+PJ117266	AAPPEMWW 	C48H62N10O11S	986.4321	NA	PeJP	NA	NA
+PJ117267	GCCKHHFR 	C41H62N16O9S2	986.4328	NA	PeJP	NA	NA
+PJ117268	SSSSSSSCKK 	C36H66N12O18S	986.4339	NA	PeJP	NA	NA
+PJ117269	STTTTQYW 	C44H62N10O16	986.4345	NA	PeJP	NA	NA
+PJ117270	SSSTKEYW 	C44H62N10O16	986.4346	NA	PeJP	NA	NA
+PJ117271	SSTCCCKKK 	C37H70N12O13S3	986.4348	NA	PeJP	NA	NA
+PJ117272	SSNQQMHR 	C37H62N16O14S	986.4352	NA	PeJP	NA	NA
+PJ117273	GSDEMHRR 	C37H62N16O14S	986.4353	NA	PeJP	NA	NA
+PJ117274	TQKMMYW 	C45H66N10O11S2	986.4354	NA	PeJP	NA	NA
+PJ117275	GGGGALMMFF 	C45H66N10O11S2	986.4355	NA	PeJP	NA	NA
+PJ117276	SSEHRWW 	C45H58N14O12	986.4359	NA	PeJP	NA	NA
+PJ117277	PPMFFYW 	C53H62N8O9S	986.4361	NA	PeJP	NA	NA
+PJ117278	PHHHHHW 	C46H54N18O8	986.4373	NA	PeJP	NA	NA
+PJ117279	SSDKKEMY 	C41H66N10O16S	986.4379	NA	PeJP	NA	NA
+PJ117280	GGAPPTLDEM 	C41H66N10O16S	986.438	NA	PeJP	NA	NA
+PJ117281	VVEEYYW 	C49H62N8O14	986.4386	NA	PeJP	NA	NA
+PJ117282	GVQKMMMY 	C42H70N10O11S3	986.4388	NA	PeJP	NA	NA
+PJ117283	TQEMHRW 	C42H62N14O12S	986.4393	NA	PeJP	NA	NA
+PJ117284	PLMMFYW 	C50H66N8O9S2	986.4395	NA	PeJP	NA	NA
+PJ117285	ATTHWWW 	C50H58N12O10	986.4399	NA	PeJP	NA	NA
+PJ117286	SSSTTTTTTT 	C37H66N10O21	986.4404	NA	PeJP	NA	NA
+PJ117287	SSTTTTKMM 	C38H70N10O16S2	986.4413	NA	PeJP	NA	NA
+PJ117288	GPDEEERR 	C38H62N14O17	986.4418	NA	PeJP	NA	NA
+PJ117289	SPCLLEYY 	C46H66N8O14S	986.4419	NA	PeJP	NA	NA
+PJ117290	APTLEMYY 	C46H66N8O14S	986.442	NA	PeJP	NA	NA
+PJ117291	STKKMMMM 	C39H74N10O11S4	986.4422	NA	PeJP	NA	NA
+PJ117292	GSSMMRRY 	C39H66N14O12S2	986.4426	NA	PeJP	NA	NA
+PJ117293	GVQEMMHR 	C39H66N14O12S2	986.4427	NA	PeJP	NA	NA
+PJ117294	LLMMMYW 	C47H70N8O9S3	986.4428	NA	PeJP	NA	NA
+PJ117295	GSQEHHHR 	C39H58N18O13	986.4431	NA	PeJP	NA	NA
+PJ117296	PPDMRWW 	C47H62N12O10S	986.4433	NA	PeJP	NA	NA
+PJ117297	GHFFFFW 	C55H58N10O8	986.444	NA	PeJP	NA	NA
+PJ117298	PLLEEEEE 	C42H66N8O19	986.4445	NA	PeJP	NA	NA
+PJ117299	STLLEMMY 	C43H70N8O14S2	986.4453	NA	PeJP	NA	NA
+PJ117300	SSSTTRYW 	C43H62N12O15	986.4458	NA	PeJP	NA	NA
+PJ117301	ALLMMMMF 	C44H74N8O9S4	986.4462	NA	PeJP	NA	NA
+PJ117302	SSCNQHRR 	C36H62N18O13S	986.4465	NA	PeJP	NA	NA
+PJ117303	TCKMRYW 	C44H66N12O10S2	986.4467	NA	PeJP	NA	NA
+PJ117304	NNNHFRW 	C44H58N16O11	986.4471	NA	PeJP	NA	NA
+PJ117305	GGGGNHFRW 	C44H58N16O11	986.4472	NA	PeJP	NA	NA
+PJ117306	PPCLWWW 	C52H62N10O8S	986.4473	NA	PeJP	NA	NA
+PJ117307	SSSKEMRY 	C40H66N12O15S	986.4492	NA	PeJP	NA	NA
+PJ117308	PLQEEWW 	C48H62N10O13	986.4498	NA	PeJP	NA	NA
+PJ117309	QKMMMRY 	C41H70N12O10S3	986.45	NA	PeJP	NA	NA
+PJ117310	GAPPPMMMR 	C41H70N12O10S3	986.4501	NA	PeJP	NA	NA
+PJ117311	SDMHRRW 	C41H62N16O11S	986.4505	NA	PeJP	NA	NA
+PJ117312	KMMHFFF 	C49H66N10O8S2	986.4507	NA	PeJP	NA	NA
+PJ117313	PPQHHWW 	C49H58N14O9	986.4512	NA	PeJP	NA	NA
+PJ117314	SSSEEHRR 	C37H62N16O16	986.453	NA	PeJP	NA	NA
+PJ117315	GGGGGGGGGGLER 	C37H62N16O16	986.4531	NA	PeJP	NA	NA
+PJ117316	GTTTKMYW 	C45H66N10O13S	986.4532	NA	PeJP	NA	NA
+PJ117317	PPVYYYW 	C53H62N8O11	986.4538	NA	PeJP	NA	NA
+PJ117318	QEMMHRR 	C38H66N16O11S2	986.4539	NA	PeJP	NA	NA
+PJ117319	ATMHRWW 	C46H62N14O9S	986.4545	NA	PeJP	NA	NA
+PJ117320	SSSSSLKEY 	C41H66N10O18	986.4557	NA	PeJP	NA	NA
+PJ117321	GTKKEMMY 	C42H70N10O13S2	986.4566	NA	PeJP	NA	NA
+PJ117322	PDEERRW 	C42H62N14O14	986.457	NA	PeJP	NA	NA
+PJ117323	GGGGAPTERW 	C42H62N14O14	986.4571	NA	PeJP	NA	NA
+PJ117324	VLEMFYW 	C50H66N8O11S	986.4572	NA	PeJP	NA	NA
+PJ117325	VQMMHRW 	C43H66N14O9S2	986.4579	NA	PeJP	NA	NA
+PJ117326	SQHHHRW 	C43H58N18O10	986.4584	NA	PeJP	NA	NA
+PJ117327	GTLLEEYY 	C46H66N8O16	986.4597	NA	PeJP	NA	NA
+PJ117328	SSSTMRRY 	C39H66N14O14S	986.4604	NA	PeJP	NA	NA
+PJ117329	GPLLMMYY 	C47H70N8O11S2	986.4606	NA	PeJP	NA	NA
+PJ117330	TTKEHWW 	C47H62N12O12	986.461	NA	PeJP	NA	NA
+PJ117331	PVDERWW 	C47H62N12O12	986.4611	NA	PeJP	NA	NA
+PJ117332	CKMMRRY 	C40H70N14O9S3	986.4613	NA	PeJP	NA	NA
+PJ117333	AAQMHHHR 	C40H62N18O10S	986.4618	NA	PeJP	NA	NA
+PJ117334	GKHHHWW 	C48H58N16O8	986.4624	NA	PeJP	NA	NA
+PJ117335	SVLLMMMY 	C44H74N8O11S3	986.464	NA	PeJP	NA	NA
+PJ117336	GSSSSNHRR 	C36H62N18O15	986.4642	NA	PeJP	NA	NA
+PJ117337	GGGSSSSHRR 	C36H62N18O15	986.4643	NA	PeJP	NA	NA
+PJ117338	APPTEMRW 	C44H66N12O12S	986.4644	NA	PeJP	NA	NA
+PJ117339	GGGGGGPVLMW 	C44H66N12O12S	986.4645	NA	PeJP	NA	NA
+PJ117340	APLEWWW 	C52H62N10O10	986.4651	NA	PeJP	NA	NA
+PJ117341	SSSSSTLRY 	C40H66N12O17	986.4669	NA	PeJP	NA	NA
+PJ117342	GGGGPKKEEE 	C40H66N12O17	986.467	NA	PeJP	NA	NA
+PJ117343	GTTKMMRY 	C41H70N12O12S2	986.4678	NA	PeJP	NA	NA
+PJ117344	NQQQQRW 	C41H62N16O13	986.4682	NA	PeJP	NA	NA
+PJ117345	GSPNDRRW 	C41H62N16O13	986.4683	NA	PeJP	NA	NA
+PJ117346	GPPTLMWW 	C49H66N10O10S	986.4684	NA	PeJP	NA	NA
+PJ117347	ASPPLMWW 	C49H66N10O10S	986.4685	NA	PeJP	NA	NA
+PJ117348	AMMHRRW 	C42H66N16O8S2	986.4691	NA	PeJP	NA	NA
+PJ117349	STTTTKYW 	C45H66N10O15	986.4709	NA	PeJP	NA	NA
+PJ117350	GPLKEEEW 	C45H66N10O15	986.471	NA	PeJP	NA	NA
+PJ117351	GTTEMHRR 	C38H66N16O13S	986.4716	NA	PeJP	NA	NA
+PJ117352	GGGPQEMRR 	C38H66N16O13S	986.4717	NA	PeJP	NA	NA
+PJ117353	TKKMMYW 	C46H70N10O10S2	986.4718	NA	PeJP	NA	NA
+MJ099140	1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside], 1-Ac 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099141	1,3,20-Trihydroxywitha-5,24-dienolide, 3-O-[?-D-Glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside], 1-Ac 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099142	2,3,16-Trihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucuronopyranoside, 28-O-[?-L-rhamnopyranosyl-(1?2)-?-L-rhamnopyranosyl] ester 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099143	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, Glycoside 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099144	3,21,24-Trihydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-glucuronopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099145	3,23-Dihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099146	Glaucogenin C; 7-Hydroxy, 3-O-[?-D-glucopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-thevetopyranoside] 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099147	Oleanolic acid bisdesmosides; Triglycosides, 3-O-[[2-Carboxy-1-(carboxymethoxy)-2,3-dihydroxypropyl]-(?3)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H74O21	986.472259	NA	MeJP	NA	NA
+MJ099148	Tubocapsigenin A; 1-Ac, 3-O-[[?-D-glucopyranosyl(1?6)-?-D-glucopyranosyl(1?2)]-?-D-glucopyranoside] 	C48H74O21	986.472259	NA	MeJP	NA	NA
+PJ117354	TTTHRWW 	C46H62N14O11	986.4723	NA	PeJP	NA	NA
+PJ117355	PLMFFFW 	C54H66N8O8S	986.4725	NA	PeJP	NA	NA
+PJ117356	NMHHHRR 	C39H62N20O9S	986.473	NA	PeJP	NA	NA
+PJ117357	STTKKEMY 	C42H70N10O15S	986.4743	NA	PeJP	NA	NA
+PJ117358	TLLEYYW 	C50H66N8O13	986.475	NA	PeJP	NA	NA
+PJ117359	GVKKMMMY 	C43H74N10O10S3	986.4752	NA	PeJP	NA	NA
+PJ117360	VCQRRYY 	C43H66N14O11S	986.4756	NA	PeJP	NA	NA
+PJ117361	TKEMHRW 	C43H66N14O11S	986.4757	NA	PeJP	NA	NA
+PJ117362	LLMMFFW 	C51H70N8O8S2	986.4758	NA	PeJP	NA	NA
+PJ117363	GPQKWWW 	C51H62N12O9	986.4763	NA	PeJP	NA	NA
+PJ117364	SSPPTTNQR 	C39H66N14O16	986.4781	NA	PeJP	NA	NA
+PJ117365	APTEEERR 	C39H66N14O16	986.4782	NA	PeJP	NA	NA
+PJ117366	GVLLEMYY 	C47H70N8O13S	986.4783	NA	PeJP	NA	NA
+PJ117367	APPEMMRR 	C40H70N14O11S2	986.479	NA	PeJP	NA	NA
+PJ117368	GGGGPPKMMR 	C40H70N14O11S2	986.4791	NA	PeJP	NA	NA
+PJ117369	NNNQRRW 	C40H62N18O12	986.4795	NA	PeJP	NA	NA
+PJ117370	SLKMHWW 	C48H66N12O9S	986.4797	NA	PeJP	NA	NA
+PJ117371	GPTLEERW 	C44H66N12O14	986.4822	NA	PeJP	NA	NA
+PJ117372	GPCNERRR 	C37H66N18O12S	986.4829	NA	PeJP	NA	NA
+PJ117373	GPPLMMRW 	C45H70N12O9S2	986.4831	NA	PeJP	NA	NA
+PJ117374	GEHFRRW 	C45H62N16O10	986.4835	NA	PeJP	NA	NA
+PJ117375	STTTKMRY 	C41H70N12O14S	986.4855	NA	PeJP	NA	NA
+PJ117376	GSSSCKKKY 	C41H70N12O14S	986.4856	NA	PeJP	NA	NA
+PJ117377	PLKEEWW 	C49H66N10O12	986.4862	NA	PeJP	NA	NA
+PJ117378	KKMMMRY 	C42H74N12O9S3	986.4864	NA	PeJP	NA	NA
+PJ117379	TTMHRRW 	C42H66N16O10S	986.4869	NA	PeJP	NA	NA
+PJ117380	GVHFRWW 	C50H62N14O8	986.4876	NA	PeJP	NA	NA
+PJ117381	STTTEHRR 	C38H66N16O15	986.4894	NA	PeJP	NA	NA
+PJ117382	SPPLKEMW 	C46H70N10O12S	986.4896	NA	PeJP	NA	NA
+PJ117383	PVLFYYW 	C54H66N8O10	986.4902	NA	PeJP	NA	NA
+PJ117384	KEMMHRR 	C39H70N16O10S2	986.4903	NA	PeJP	NA	NA
+PJ117385	GSTHHHRR 	C39H62N20O11	986.4907	NA	PeJP	NA	NA
+PJ117386	GGGPNHHRR 	C39H62N20O11	986.4908	NA	PeJP	NA	NA
+PJ117387	LMHHFFR 	C47H66N14O8S	986.4909	NA	PeJP	NA	NA
+PJ117388	SSSTTTLKY 	C42H70N10O17	986.4921	NA	PeJP	NA	NA
+PJ117389	SSLKKMMY 	C43H74N10O12S2	986.4929	NA	PeJP	NA	NA
+PJ117390	TLLLEMMH 	C43H74N10O12S2	986.493	NA	PeJP	NA	NA
+PJ117391	SSTTLHRW 	C43H66N14O13	986.4934	NA	PeJP	NA	NA
+PJ117392	GGGGGGGAALKW 	C43H66N14O13	986.4935	NA	PeJP	NA	NA
+PJ117393	VLLMYYW 	C51H70N8O10S	986.4936	NA	PeJP	NA	NA
+PJ117394	VKMMHRW 	C44H70N14O8S2	986.4943	NA	PeJP	NA	NA
+PJ117395	SKHHHRW 	C44H62N18O9	986.4948	NA	PeJP	NA	NA
+PJ117396	SSLLLEYY 	C47H70N8O15	986.4961	NA	PeJP	NA	NA
+PJ117397	GPLEEMRR 	C40H70N14O13S	986.4968	NA	PeJP	NA	NA
+PJ117398	GLLLMMFY 	C48H74N8O10S2	986.497	NA	PeJP	NA	NA
+PJ117399	PTLERWW 	C48H66N12O11	986.4974	NA	PeJP	NA	NA
+PJ117400	GGPKKEWW 	C48H66N12O11	986.4975	NA	PeJP	NA	NA
+PJ117401	PCNRRRW 	C41H66N18O9S	986.4981	NA	PeJP	NA	NA
+PJ117402	HFRRWW 	C49H62N16O7	986.4988	NA	PeJP	NA	NA
+PJ117403	NQEERRR 	C37H66N18O14	986.5006	NA	PeJP	NA	NA
+PJ117404	GGGAEERRR 	C37H66N18O14	986.5007	NA	PeJP	NA	NA
+PJ117405	GPVLEMRW 	C45H70N12O11S	986.5008	NA	PeJP	NA	NA
+PJ117406	SPLLWWW 	C53H66N10O9	986.5015	NA	PeJP	NA	NA
+PJ117407	SPLKEEER 	C41H70N12O16	986.5033	NA	PeJP	NA	NA
+PJ117408	SCCKKKKY 	C42H74N12O11S2	986.5042	NA	PeJP	NA	NA
+PJ117409	VNQERRW 	C42H66N16O12	986.5046	NA	PeJP	NA	NA
+PJ117410	GGVQERRW 	C42H66N16O12	986.5047	NA	PeJP	NA	NA
+PJ117411	AAPLLMWW 	C50H70N10O9S	986.5048	NA	PeJP	NA	NA
+PJ117412	SPVLKEEW 	C46H70N10O14	986.5073	NA	PeJP	NA	NA
+PJ117413	GGALLLEEW 	C46H70N10O14	986.5074	NA	PeJP	NA	NA
+PJ117414	SSTLMHRR 	C39H70N16O12S	986.508	NA	PeJP	NA	NA
+PJ117415	GGGGGAPCKKR 	C39H70N16O12S	986.5081	NA	PeJP	NA	NA
+PJ117416	PPVVKMMW 	C47H74N10O9S2	986.5082	NA	PeJP	NA	NA
+MJ099149	Moroidin 	C47H66N14O10	986.508634	NA	MeJP	NA	NA
+MJ099150	1,4-Epoxy-11-hydroxy-3,4-seco-20(29)-lupene-3,28-dioic acid, 28-[?-L-Rhamnopyranosyl(1?4)-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester, 3-Me ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099151	3,19,21-Trihydroxy-12-ursen-28-oic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-2-O-acetyl-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099152	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?2)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099153	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?3)-?-D-glucopyranoside], 28-O-?-D-glucopyranosyl ester, 30-Me ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099154	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-[?-D-glucopyranosyl-(1?3)]-?-D-glucopyranoside], 30-Me ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099155	3-Hydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?3)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside], 30-Me ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099156	Hederagenin bisdesmosides; Triglycosides, 3-O-[?-D-Galactopyranosyl-(1?4)-6-O-methyl-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C49H78O20	986.508644	NA	MeJP	NA	NA
+MJ099157	Peruvianoside A 	C49H78O20	986.508644	NA	MeJP	NA	NA
+PJ117417	SPQKRWW 	C47H66N14O10	986.5087	NA	PeJP	NA	NA
+PJ117418	PLLQKEEM 	C43H74N10O14S	986.5107	NA	PeJP	NA	NA
+PJ117419	APTILFYY 	C51H70N8O12	986.5113	NA	PeJP	NA	NA
+PJ117420	GPVLLYYY 	C51H70N8O12	986.5114	NA	PeJP	NA	NA
+PJ117421	VLLLMMMH 	C44H78N10O9S3	986.5116	NA	PeJP	NA	NA
+PJ117422	NDDRRRR 	C36H66N20O13	986.5119	NA	PeJP	NA	NA
+PJ117423	GTCKKKHW 	C44H70N14O10S	986.512	NA	PeJP	NA	NA
+PJ117424	PLEMRRW 	C44H70N14O10S	986.5121	NA	PeJP	NA	NA
+PJ117425	GPKKWWW 	C52H66N12O8	986.5127	NA	PeJP	NA	NA
+PJ117426	SPTLEERR 	C40H70N14O15	986.5145	NA	PeJP	NA	NA
+PJ117427	GVLEEERR 	C40H70N14O15	986.5146	NA	PeJP	NA	NA
+PJ117428	ATLLLMYY 	C48H74N8O12S	986.5147	NA	PeJP	NA	NA
+PJ117429	SPPLMMRR 	C41H74N14O10S2	986.5154	NA	PeJP	NA	NA
+PJ117430	GQERRRW 	C41H66N18O11	986.5159	NA	PeJP	NA	NA
+PJ117431	PVLMRWW 	C49H70N12O8S	986.5161	NA	PeJP	NA	NA
+PJ117432	LLLLEEEE 	C44H74N8O17	986.5172	NA	PeJP	NA	NA
+PJ117433	AALLEERW 	C45H70N12O13	986.5186	NA	PeJP	NA	NA
+7052	bovine hexapeptide derived from lactoferricin B (B	RRWQWR	986.519	antioxidative	Inhouse_peptide	NA	peptide
+PJ117434	GSPQMRRR 	C38H70N18O11S	986.5193	NA	PeJP	NA	NA
+PJ117435	KKMMFFR 	C46H74N12O8S2	986.5194	NA	PeJP	NA	NA
+PJ117436	GVQRRWW 	C46H66N16O9	986.5199	NA	PeJP	NA	NA
+PJ117437	PTLLQEMR 	C42H74N12O13S	986.5219	NA	PeJP	NA	NA
+PJ117438	PVVKEEMR 	C42H74N12O13S	986.522	NA	PeJP	NA	NA
+PJ117439	LLLQEWW 	C50H70N10O11	986.5226	NA	PeJP	NA	NA
+PJ117440	PNKMRRW 	C43H70N16O9S	986.5233	NA	PeJP	NA	NA
+C17553	Condurango glycoside A	C53H78O17	986.5239	NA	KEGG	NA	NA
+C17554	3-Polyprenyl-4,5-dihydroxybenzoate	C12H14O4	986.5239	NA	KEGG	NA	NA
+PJ117441	LEEERRR 	C39H70N16O14	986.5258	NA	PeJP	NA	NA
+PJ117442	APLLKEMW 	C47H74N10O11S	986.526	NA	PeJP	NA	NA
+PJ117443	VLLFFYW 	C55H70N8O9	986.5266	NA	PeJP	NA	NA
+PJ117444	PPCCKKRR 	C40H74N16O9S2	986.5267	NA	PeJP	NA	NA
+PJ117445	PEHHRRR 	C40H66N20O10	986.5271	NA	PeJP	NA	NA
+PJ117446	VLLQKEEE 	C43H74N10O16	986.5285	NA	PeJP	NA	NA
+PJ117447	GPPTLLKMM 	C44H78N10O11S2	986.5293	NA	PeJP	NA	NA
+PJ117448	GGGPVLLLMM 	C44H78N10O11S2	986.5294	NA	PeJP	NA	NA
+PJ117449	VLEERRW 	C44H70N14O12	986.5298	NA	PeJP	NA	NA
+PJ117450	GLLLMFFF 	C52H74N8O9S	986.53	NA	PeJP	NA	NA
+PJ117451	GSPCRRRR 	C37H70N20O10S	986.5305	NA	PeJP	NA	NA
+PJ117452	QRRRWW 	C45H66N18O8	986.5311	NA	PeJP	NA	NA
+PJ117453	GARRRWW 	C45H66N18O8	986.5312	NA	PeJP	NA	NA
+PJ117454	TTTLLLYY 	C48H74N8O14	986.5325	NA	PeJP	NA	NA
+PJ117455	SPVLEMRR 	C41H74N14O12S	986.5332	NA	PeJP	NA	NA
+PJ117456	VVLERWW 	C49H70N12O10	986.5338	NA	PeJP	NA	NA
+PJ117457	CLHFRRR 	C42H70N18O8S	986.5345	NA	PeJP	NA	NA
+PJ117458	NKEERRR 	C38H70N18O13	986.537	NA	PeJP	NA	NA
+PJ117459	APTLLMRW 	C46H74N12O10S	986.5372	NA	PeJP	NA	NA
+PJ117460	ALLLWWW 	C54H70N10O8	986.5378	NA	PeJP	NA	NA
+PJ117461	VVVLWWW 	C54H70N10O8	986.5379	NA	PeJP	NA	NA
+PJ117462	ALLKEEER 	C42H74N12O15	986.5397	NA	PeJP	NA	NA
+PJ117463	PVLLQMMR 	C43H78N12O10S2	986.5406	NA	PeJP	NA	NA
+PJ117464	VNKERRW 	C43H70N16O11	986.541	NA	PeJP	NA	NA
+PJ117465	GGVKERRW 	C43H70N16O11	986.5411	NA	PeJP	NA	NA
+PJ117466	GLLLKEEW 	C47H74N10O13	986.5437	NA	PeJP	NA	NA
+PJ117467	GPDKKMRR 	C40H74N16O11S	986.5444	NA	PeJP	NA	NA
+PJ117468	SPKKRWW 	C48H70N14O9	986.5451	NA	PeJP	NA	NA
+PJ117469	PLLKKEEM 	C44H78N10O13S	986.5471	NA	PeJP	NA	NA
+PJ117470	GVLLLFYY 	C52H74N8O11	986.5477	NA	PeJP	NA	NA
+PJ117471	SQERRRR 	C37H70N20O12	986.5483	NA	PeJP	NA	NA
+PJ117472	AAPKKMRW 	C45H74N14O9S	986.5484	NA	PeJP	NA	NA
+PJ117473	ATLLEERR 	C41H74N14O14	986.5509	NA	PeJP	NA	NA
+PJ117474	GGALKKEER 	C41H74N14O14	986.551	NA	PeJP	NA	NA
+PJ117475	APLLMMRR 	C42H78N14O9S2	986.5518	NA	PeJP	NA	NA
+PJ117476	GKERRRW 	C42H70N18O10	986.5523	NA	PeJP	NA	NA
+PJ117477	GTLLLERW 	C46H74N12O12	986.555	NA	PeJP	NA	NA
+PJ117478	LQQMRRR 	C39H74N18O10S	986.5556	NA	PeJP	NA	NA
+PJ117479	GSPKMRRR 	C39H74N18O10S	986.5557	NA	PeJP	NA	NA
+PJ117480	GVKRRWW 	C47H70N16O8	986.5563	NA	PeJP	NA	NA
+PJ117481	PTLLKEMR 	C43H78N12O12S	986.5583	NA	PeJP	NA	NA
+PJ117482	GGGGAALLLKM 	C43H78N12O12S	986.5584	NA	PeJP	NA	NA
+PJ117483	LLLKEWW 	C51H74N10O10	986.559	NA	PeJP	NA	NA
+PJ117484	LKMHFRR 	C44H74N16O8S	986.5597	NA	PeJP	NA	NA
+PJ117485	AAKKEERR 	C40H74N16O13	986.5622	NA	PeJP	NA	NA
+PJ117486	SPLLLKMW 	C48H78N10O10S	986.5624	NA	PeJP	NA	NA
+PJ117487	GTRRRRW 	C41H70N20O9	986.5635	NA	PeJP	NA	NA
+PJ117488	SSPTLLLKE 	C44H78N10O15	986.5648	NA	PeJP	NA	NA
+PJ117489	VLLKKEEE 	C44H78N10O15	986.5649	NA	PeJP	NA	NA
+PJ117490	AAPLLLKMM 	C45H82N10O10S2	986.5657	NA	PeJP	NA	NA
+PJ117491	LQKKERW 	C45H74N14O11	986.5662	NA	PeJP	NA	NA
+PJ117492	VNMRRRR 	C38H74N20O9S	986.5669	NA	PeJP	NA	NA
+PJ117493	KRRRWW 	C46H70N18O7	986.5675	NA	PeJP	NA	NA
+MJ099158	Micropeptin A 	C49H78N8O13	986.568834	NA	MeJP	NA	NA
+PJ117494	GLLLEMRR 	C42H78N14O11S	986.5696	NA	PeJP	NA	NA
+PJ117495	TLLLRWW 	C50H74N12O9	986.5702	NA	PeJP	NA	NA
+PJ117496	DKKERRR 	C39H74N18O12	986.5734	NA	PeJP	NA	NA
+PJ117497	GVLLLMRW 	C47H78N12O9S	986.5736	NA	PeJP	NA	NA
+PJ117498	SLLLKEER 	C43H78N12O14	986.5761	NA	PeJP	NA	NA
+PJ117499	PVLLKMMR 	C44H82N12O9S2	986.577	NA	PeJP	NA	NA
+PJ117500	VDKKRRW 	C44H74N16O10	986.5774	NA	PeJP	NA	NA
+PJ117501	GMRRRRR 	C37H74N22O8S	986.5781	NA	PeJP	NA	NA
+PJ117502	SVLLLKEW 	C48H78N10O12	986.5801	NA	PeJP	NA	NA
+PJ117503	APTKKMRR 	C41H78N16O10S	986.5808	NA	PeJP	NA	NA
+PJ117504	ALKKRWW 	C49H74N14O8	986.5814	NA	PeJP	NA	NA
+MJ099159	Antibiotic CP 91243; 4B-Methyl ether 	C51H86O18	986.581415	NA	MeJP	NA	NA
+PJ117505	PLLFRRW 	C49H74N14O8	986.5815	NA	PeJP	NA	NA
+PJ117506	LLLLQKEM 	C45H82N10O12S	986.5835	NA	PeJP	NA	NA
+PJ117507	SKERRRR 	C38H74N20O11	986.5846	NA	PeJP	NA	NA
+PJ117508	LLLMRRW 	C46H78N14O8S	986.5848	NA	PeJP	NA	NA
+PJ117509	STLLLERR 	C42H78N14O13	986.5873	NA	PeJP	NA	NA
+PJ117510	SVKRRRW 	C43H74N18O9	986.5887	NA	PeJP	NA	NA
+PJ117511	SSLLLLRW 	C47H78N12O11	986.5913	NA	PeJP	NA	NA
+PJ117512	GVLKKKEW 	C47H78N12O11	986.5914	NA	PeJP	NA	NA
+PJ117513	LQKMRRR 	C40H78N18O9S	986.592	NA	PeJP	NA	NA
+PJ117514	VVLLKEMR 	C44H82N12O11S	986.5947	NA	PeJP	NA	NA
+PJ117515	APLLLKFW 	C52H78N10O9	986.5954	NA	PeJP	NA	NA
+PJ117516	STRRRRR 	C37H74N22O10	986.5959	NA	PeJP	NA	NA
+PJ117517	GTLKKERR 	C41H78N16O12	986.5986	NA	PeJP	NA	NA
+PJ117518	ALLLLKMW 	C49H82N10O9S	986.5987	NA	PeJP	NA	NA
+PJ117519	LLHHRRR 	C42H74N20O8	986.5999	NA	PeJP	NA	NA
+PJ117520	GTTLLLLKE 	C45H82N10O14	986.6012	NA	PeJP	NA	NA
+PJ117521	LKKKERW 	C46H78N14O10	986.6026	NA	PeJP	NA	NA
+PJ117522	CLKRRRR 	C39H78N20O8S	986.6033	NA	PeJP	NA	NA
+PJ117523	SVLLLMRR 	C43H82N14O10S	986.6059	NA	PeJP	NA	NA
+PJ117524	TCLLLLRR 	C43H82N14O10S	986.606	NA	PeJP	NA	NA
+PJ117525	VLKKKWW 	C51H78N12O8	986.6066	NA	PeJP	NA	NA
+PJ117526	GTTLKRRR 	C40H78N18O11	986.6098	NA	PeJP	NA	NA
+PJ117527	GTTTLLLLR 	C44H82N12O13	986.6125	NA	PeJP	NA	NA
+PJ117528	TLKKRRW 	C45H78N16O9	986.6138	NA	PeJP	NA	NA
+PJ117529	TTLLLLKW 	C49H82N10O11	986.6165	NA	PeJP	NA	NA
+PJ117530	GVLKKMRR 	C42H82N16O9S	986.6172	NA	PeJP	NA	NA
+PJ117531	LLLLKKEM 	C46H86N10O11S	986.6199	NA	PeJP	NA	NA
+PJ117532	SVLKKKER 	C43H82N14O12	986.6237	NA	PeJP	NA	NA
+PJ117533	PKKFRRR 	C44H78N18O8	986.6251	NA	PeJP	NA	NA
+PJ117534	ATLLKKKW 	C48H82N12O10	986.6277	NA	PeJP	NA	NA
+PJ117535	LKKMRRR 	C41H82N18O8S	986.6284	NA	PeJP	NA	NA
+PJ117536	TLLLLKMR 	C45H86N12O10S	986.6311	NA	PeJP	NA	NA
+PJ117537	SSLLKKRR 	C42H82N16O11	986.6349	NA	PeJP	NA	NA
+PJ117538	GDKKKKKR 	C42H82N16O11	986.635	NA	PeJP	NA	NA
+PJ117539	SSTLLLLLK 	C46H86N10O13	986.6376	NA	PeJP	NA	NA
+PJ117540	AAKKKKKW 	C47H82N14O9	986.639	NA	PeJP	NA	NA
+PJ117541	ALLKKKMR 	C44H86N14O9S	986.6423	NA	PeJP	NA	NA
+PJ117542	GSKKKKRR 	C41H82N18O10	986.6462	NA	PeJP	NA	NA
+PJ117543	TLLKKKKE 	C45H86N12O12	986.6489	NA	PeJP	NA	NA
+PJ117544	PLLLLKKY 	C50H86N10O10	986.6529	NA	PeJP	NA	NA
+PJ117545	TTLLKKKR 	C44H86N14O11	986.6601	NA	PeJP	NA	NA
+PJ117546	VVLLLKFR 	C49H86N12O9	986.6641	NA	PeJP	NA	NA
+PJ117547	VLLKKKKM 	C46H90N12O9S	986.6675	NA	PeJP	NA	NA
+PJ117548	ATKKKKKR 	C43H86N16O10	986.6713	NA	PeJP	NA	NA
+PJ117549	LLLLLKKF 	C51H90N10O9	986.6893	NA	PeJP	NA	NA
+PJ117550	SLKKKKKK 	C45H90N14O10	986.6965	NA	PeJP	NA	NA
+2970	maculatin 1,1,1 from Litoria genimaculata	FVGLAKVAAHVVPAIAEHF~	987.05105	MH2+	Inhouse_peptide	NA	peptide
+PJ117551	GCCCCCCMY 	C34H53N9O11S7	987.191	NA	PeJP	NA	NA
+PJ117552	SCCCCCDDH 	C32H49N11O15S5	987.2014	NA	PeJP	NA	NA
+PJ117553	PCCCCDDDD 	C33H49N9O18S4	987.2079	NA	PeJP	NA	NA
+PJ117554	STCCCCCCY 	C34H53N9O13S6	987.2087	NA	PeJP	NA	NA
+PJ117555	GCCCCCEMH 	C33H53N11O12S6	987.22	NA	PeJP	NA	NA
+PJ117556	GCCCCCCFF 	C38H53N9O10S6	987.224	NA	PeJP	NA	NA
+PJ117557	ACCCDDDDE 	C33H49N9O20S3	987.2256	NA	PeJP	NA	NA
+PJ117558	GCCDDDDDM 	C33H49N9O20S3	987.2257	NA	PeJP	NA	NA
+PJ117559	CCCCCMHW 	C37H53N11O9S6	987.2352	NA	PeJP	NA	NA
+PJ117560	SCCCNNDDD 	C32H49N11O19S3	987.2369	NA	PeJP	NA	NA
+PJ117561	SSCCCCDMH 	C33H53N11O14S5	987.2377	NA	PeJP	NA	NA
+PJ117562	GGPCCCCCNE 	C33H53N11O14S5	987.2378	NA	PeJP	NA	NA
+PJ117563	CCCDDDEW 	C37H49N9O17S3	987.2409	NA	PeJP	NA	NA
+PJ117564	CCCCCQYY 	C38H53N9O12S5	987.2418	NA	PeJP	NA	NA
+PJ117565	SSCCDDDDE 	C33H49N9O22S2	987.2434	NA	PeJP	NA	NA
+PJ117566	SPCCCDDDM 	C34H53N9O17S4	987.2443	NA	PeJP	NA	NA
+PJ117567	PPCCCCCEM 	C35H57N9O12S6	987.2451	NA	PeJP	NA	NA
+PJ117568	GPCCCCCNW 	C37H53N11O11S5	987.253	NA	PeJP	NA	NA
+PJ117569	GCCCNNDEM 	C33H53N11O16S4	987.2555	NA	PeJP	NA	NA
+PJ117570	GTCCCCMMH 	C34H57N11O11S6	987.2564	NA	PeJP	NA	NA
+PJ117571	GSSCCCCYY 	C38H53N9O14S4	987.2595	NA	PeJP	NA	NA
+C16335	OPC4-CoA	C35H56N7O18P3S	987.2615	NA	KEGG	NA	NA
+HMDB11113	OPC4-CoA	C35H56N7O18P3S	987.261536	NA	HMDB2010	NA	NA
+PJ117572	GSCDDDDMM 	C34H53N9O19S3	987.262	NA	PeJP	NA	NA
+PJ117573	GPCCCDEMM 	C35H57N9O14S5	987.2629	NA	PeJP	NA	NA
+PJ117574	GCCCCNDDR 	C32H53N13O15S4	987.2667	NA	PeJP	NA	NA
+PJ117575	GGGCCCCDDR 	C32H53N13O15S4	987.2668	NA	PeJP	NA	NA
+PJ117576	CCCNNDMW 	C37H53N11O13S4	987.2708	NA	PeJP	NA	NA
+PJ117577	SSCCNNDDM 	C33H53N11O18S3	987.2732	NA	PeJP	NA	NA
+PJ117578	GGSSCCNDDM 	C33H53N11O18S3	987.2733	NA	PeJP	NA	NA
+PJ117579	SSSCCCMMH 	C34H57N11O13S5	987.2741	NA	PeJP	NA	NA
+PJ117580	CNDDDDEY 	C37H49N9O21S	987.2764	NA	PeJP	NA	NA
+PJ117581	SCCDDEMW 	C38H53N9O16S3	987.2773	NA	PeJP	NA	NA
+PJ117582	CCCCCKYY 	C39H57N9O11S5	987.2781	NA	PeJP	NA	NA
+PJ117583	PCCCDMMW 	C39H57N9O11S5	987.2782	NA	PeJP	NA	NA
+PJ117584	SSSCDDDEM 	C34H53N9O21S2	987.2798	NA	PeJP	NA	NA
+PJ117585	SSPCCCEEM 	C35H57N9O16S4	987.2806	NA	PeJP	NA	NA
+PJ117586	CNDDEMMM 	C35H57N9O16S4	987.2807	NA	PeJP	NA	NA
+PJ117587	GSCCDDDHH 	C35H49N13O17S2	987.2811	NA	PeJP	NA	NA
+PJ117588	PPTCCCCMM 	C36H61N9O11S6	987.2815	NA	PeJP	NA	NA
+PJ117589	GPCCCCEHH 	C36H53N13O12S4	987.282	NA	PeJP	NA	NA
+PJ117590	GSSSCCCNNN 	C32H53N13O17S3	987.2845	NA	PeJP	NA	NA
+PJ117591	SPCCCCCNR 	C33H57N13O12S5	987.2854	NA	PeJP	NA	NA
+PJ117592	GCCCCQWW 	C41H53N11O10S4	987.286	NA	PeJP	NA	NA
+PJ117593	GPCDDDDDH 	C36H49N11O20S	987.2877	NA	PeJP	NA	NA
+PJ117594	GSSCCCNEW 	C37H53N11O15S3	987.2885	NA	PeJP	NA	NA
+PJ117595	CCCNMMHF 	C38H57N11O10S5	987.2894	NA	PeJP	NA	NA
+PJ117596	GSSSSCCNDE 	C33H53N11O20S2	987.291	NA	PeJP	NA	NA
+PJ117597	GCDDDDYW 	C41H49N9O18S	987.2917	NA	PeJP	NA	NA
+PJ117598	CCDDDMMR 	C34H57N11O15S4	987.2919	NA	PeJP	NA	NA
+PJ117599	PCCCDDFW 	C42H53N9O13S3	987.2925	NA	PeJP	NA	NA
+PJ117600	GSSDDDDDY 	C37H49N9O23	987.2942	NA	PeJP	NA	NA
+PJ117601	GSPCCDDEY 	C38H53N9O18S2	987.295	NA	PeJP	NA	NA
+PJ117602	GGCDDDEMF 	C38H53N9O18S2	987.2951	NA	PeJP	NA	NA
+PJ117603	GCDDMMMW 	C39H57N9O13S4	987.2959	NA	PeJP	NA	NA
+PJ117604	PCCCCHHW 	C40H53N13O9S4	987.2973	NA	PeJP	NA	NA
+PJ117605	GSSDDDMMM 	C35H57N9O18S3	987.2984	NA	PeJP	NA	NA
+PJ117606	GSPCCEMMM 	C36H61N9O13S5	987.2993	NA	PeJP	NA	NA
+PJ117607	GCCCNNNNF 	C36H53N13O14S3	987.2997	NA	PeJP	NA	NA
+PJ117608	GGGCCCNNNF 	C36H53N13O14S3	987.2998	NA	PeJP	NA	NA
+PJ117609	GSCCCNDMR 	C33H57N13O14S4	987.3031	NA	PeJP	NA	NA
+PJ117610	SSCCCNWW 	C41H53N11O12S3	987.3038	NA	PeJP	NA	NA
+PJ117611	NDDDDEEH 	C36H49N11O22	987.3054	NA	PeJP	NA	NA
+PJ117612	SSSSCCNDW 	C37H53N11O17S2	987.3063	NA	PeJP	NA	NA
+PJ117613	SCCNNMMW 	C38H57N11O12S4	987.3071	NA	PeJP	NA	NA
+PJ117614	GGGGSCCMMW 	C38H57N11O12S4	987.3072	NA	PeJP	NA	NA
+PJ117615	SSSSSSCNDD 	C33H53N11O22S	987.3088	NA	PeJP	NA	NA
+PJ117616	SSSCNNDMM 	C34H57N11O17S3	987.3096	NA	PeJP	NA	NA
+PJ117617	GGGGSSSCDMM 	C34H57N11O17S3	987.3097	NA	PeJP	NA	NA
+PJ117618	SPCCDDYW 	C42H53N9O15S2	987.3103	NA	PeJP	NA	NA
+PJ117619	CNNNMMMM 	C35H61N11O12S5	987.3105	NA	PeJP	NA	NA
+PJ117620	CCCDDHHR 	C35H53N15O13S3	987.311	NA	PeJP	NA	NA
+PJ117621	CCEMMWW 	C43H57N9O10S4	987.3112	NA	PeJP	NA	NA
+PJ117622	SNDDDEMY 	C38H53N9O20S	987.3128	NA	PeJP	NA	NA
+PJ117623	SSCDEMMW 	C39H57N9O15S3	987.3137	NA	PeJP	NA	NA
+PJ117624	SPCCMMMW 	C40H61N9O10S5	987.3145	NA	PeJP	NA	NA
+PJ117625	GCCDMHHW 	C40H53N13O11S3	987.315	NA	PeJP	NA	NA
+MJ099160	Perdeacylwilfortrine; 6,26-Dibenzoyl, 1,2,8,9,14-penta-Ac 	C50H53NO20	987.316093	NA	MeJP	NA	NA
+PJ117626	SSSSDDEMM 	C35H57N9O20S2	987.3162	NA	PeJP	NA	NA
+PJ117627	GSNNDDDDH 	C35H49N13O21	987.3166	NA	PeJP	NA	NA
+PJ117628	GGGSNDDDDH 	C35H49N13O21	987.3167	NA	PeJP	NA	NA
+PJ117629	SNDEMMMM 	C36H61N9O15S4	987.317	NA	PeJP	NA	NA
+PJ117630	GSCCNNNNY 	C36H53N13O16S2	987.3175	NA	PeJP	NA	NA
+PJ117631	CDMMYYY 	C44H57N7O13S3	987.3177	NA	PeJP	NA	NA
+PJ117632	PCNMMMMM 	C37H65N9O10S6	987.3179	NA	PeJP	NA	NA
+PJ117633	SCCCCQRW 	C37H57N13O11S4	987.3184	NA	PeJP	NA	NA
+PJ117634	GDDDDEHW 	C40H49N11O19	987.3207	NA	PeJP	NA	NA
+PJ117635	SSSCCCNER 	C33H57N13O16S3	987.3209	NA	PeJP	NA	NA
+PJ117636	GCCNNEYW 	C41H53N11O14S2	987.3215	NA	PeJP	NA	NA
+PJ117637	CCCNQMMR 	C34H61N13O11S5	987.3217	NA	PeJP	NA	NA
+PJ117638	GGCCCQMMR 	C34H61N13O11S5	987.3218	NA	PeJP	NA	NA
+PJ117639	GCCCCKWW 	C42H57N11O9S4	987.3224	NA	PeJP	NA	NA
+PJ117640	SCDDDDRY 	C37H53N11O19S	987.324	NA	PeJP	NA	NA
+PJ117641	GSSSCCQMW 	C38H57N11O14S3	987.3249	NA	PeJP	NA	NA
+PJ117642	CCDEFWW 	C46H53N9O12S2	987.3256	NA	PeJP	NA	NA
+PJ117643	GSSSSSCNEM 	C34H57N11O19S2	987.3274	NA	PeJP	NA	NA
+PJ117644	GSDDDMYW 	C42H53N9O17S	987.3281	NA	PeJP	NA	NA
+PJ117645	SCDDMMMR 	C35H61N11O14S4	987.3283	NA	PeJP	NA	NA
+PJ117646	SSSCCNNHH 	C35H53N15O15S2	987.3287	NA	PeJP	NA	NA
+PJ117647	GGGGSSSCCHH 	C35H53N15O15S2	987.3288	NA	PeJP	NA	NA
+PJ117648	GPCCEMYW 	C43H57N9O12S3	987.3289	NA	PeJP	NA	NA
+PJ117649	GSSTDDDEY 	C38H53N9O22	987.3305	NA	PeJP	NA	NA
+PJ117650	GSSSDDEEY 	C38H53N9O22	987.3306	NA	PeJP	NA	NA
+PJ117651	GNDEEMMY 	C39H57N9O17S2	987.3314	NA	PeJP	NA	NA
+PJ117652	CDDFYYY 	C47H53N7O15S	987.3321	NA	PeJP	NA	NA
+PJ117653	GSDMMMMW 	C40H61N9O12S4	987.3323	NA	PeJP	NA	NA
+PJ117654	SSCCEHHW 	C40H53N13O13S2	987.3328	NA	PeJP	NA	NA
+PJ117655	CCCCNMRR 	C33H61N15O10S5	987.333	NA	PeJP	NA	NA
+PJ117656	GSSSEEMMM 	C36H61N9O17S3	987.3348	NA	PeJP	NA	NA
+PJ117657	SSSSCDEHH 	C36H53N13O18S	987.3353	NA	PeJP	NA	NA
+PJ117658	GQEMMMMM 	C37H65N9O12S5	987.3357	NA	PeJP	NA	NA
+PJ117659	DDDDHWW 	C44H49N11O16	987.3359	NA	PeJP	NA	NA
+PJ117660	GSSSCCCRW 	C37H57N13O13S3	987.3361	NA	PeJP	NA	NA
+PJ117661	GGGGCCCEFR 	C37H57N13O13S3	987.3362	NA	PeJP	NA	NA
+PJ117662	CMMMFYY 	C45H61N7O10S4	987.3363	NA	PeJP	NA	NA
+PJ117663	CCNNYWW 	C45H53N11O11S2	987.3368	NA	PeJP	NA	NA
+PJ117664	GSSSSSCCDR 	C33H57N13O18S2	987.3386	NA	PeJP	NA	NA
+PJ117665	SSCNNDYW 	C41H53N11O16S	987.3393	NA	PeJP	NA	NA
+PJ117666	GSSCCNMMR 	C34H61N13O13S4	987.3395	NA	PeJP	NA	NA
+PJ117667	GCCNQMFW 	C42H57N11O11S3	987.3402	NA	PeJP	NA	NA
+PJ117668	SSSSNNDDY 	C37H53N11O21	987.3418	NA	PeJP	NA	NA
+PJ117669	SSSSSCNMW 	C38H57N11O16S2	987.3426	NA	PeJP	NA	NA
+PJ117670	GGSSSSSCMW 	C38H57N11O16S2	987.3427	NA	PeJP	NA	NA
+PJ117671	SCDEYWW 	C46H53N9O14S	987.3433	NA	PeJP	NA	NA
+PJ117672	SCCCQKMW 	C39H61N11O11S4	987.3435	NA	PeJP	NA	NA
+PJ117673	CCNNNHHF 	C39H53N15O12S2	987.344	NA	PeJP	NA	NA
+PJ117674	PCCMYWW 	C47H57N9O9S3	987.3442	NA	PeJP	NA	NA
+PJ117675	SSSSSSSNDM 	C34H57N11O21S	987.3451	NA	PeJP	NA	NA
+PJ117676	GASSSSSSSCE 	C34H57N11O21S	987.3452	NA	PeJP	NA	NA
+PJ117677	SSSDDEYW 	C42H53N9O19	987.3458	NA	PeJP	NA	NA
+PJ117678	SSSSNNMMM 	C35H61N11O16S3	987.346	NA	PeJP	NA	NA
+PJ117679	CNNDDDHR 	C35H53N15O17S	987.3465	NA	PeJP	NA	NA
+PJ117680	NDEMMYW 	C43H57N9O14S2	987.3467	NA	PeJP	NA	NA
+PJ117681	GCEMMMMR 	C36H65N11O11S5	987.3469	NA	PeJP	NA	NA
+PJ117682	SCCDMHHR 	C36H57N15O12S3	987.3474	NA	PeJP	NA	NA
+PJ117683	TCMMMWW 	C44H61N9O9S4	987.3475	NA	PeJP	NA	NA
+PJ117684	APCCMMFW 	C44H61N9O9S4	987.3476	NA	PeJP	NA	NA
+PJ117685	SSNEEEMY 	C39H57N9O19S	987.3492	NA	PeJP	NA	NA
+PJ117686	SDDYYYY 	C47H53N7O17	987.3498	NA	PeJP	NA	NA
+PJ117687	SSSEMMMW 	C40H61N9O14S3	987.35	NA	PeJP	NA	NA
+PJ117688	GGSPDMMMY 	C40H61N9O14S3	987.3501	NA	PeJP	NA	NA
+PJ117689	GNNDDMHW 	C40H53N13O15S	987.3505	NA	PeJP	NA	NA
+PJ117690	CDMFFYY 	C48H57N7O12S2	987.3507	NA	PeJP	NA	NA
+PJ117691	QMMMMMW 	C41H65N9O9S5	987.3509	NA	PeJP	NA	NA
+PJ117692	GCCCNFRW 	C41H57N13O10S3	987.3514	NA	PeJP	NA	NA
+PJ117693	SSSSTEEMM 	C36H61N9O19S2	987.3525	NA	PeJP	NA	NA
+PJ117694	SDDDDEHR 	C36H53N13O20	987.353	NA	PeJP	NA	NA
+PJ117695	GGGGGGGPNDDE 	C36H53N13O20	987.3531	NA	PeJP	NA	NA
+PJ117696	STQEMMMM 	C37H65N9O14S4	987.3534	NA	PeJP	NA	NA
+PJ117697	SCCNNERY 	C37H57N13O15S2	987.3539	NA	PeJP	NA	NA
+PJ117698	SMMMYYY 	C45H61N7O12S3	987.3541	NA	PeJP	NA	NA
+PJ117699	SCCCCKRW 	C38H61N13O10S4	987.3548	NA	PeJP	NA	NA
+PJ117700	SCCQHHHH 	C38H53N17O11S2	987.3552	NA	PeJP	NA	NA
+PJ117701	ATDDDEHW 	C41H53N11O18	987.357	NA	PeJP	NA	NA
+PJ117702	GSDEEEHW 	C41H53N11O18	987.3571	NA	PeJP	NA	NA
+PJ117703	SSSSCCQMR 	C34H61N13O15S3	987.3573	NA	PeJP	NA	NA
+PJ117704	CDDMRYW 	C42H57N11O13S2	987.3579	NA	PeJP	NA	NA
+PJ117705	CCCNKMMR 	C35H65N13O10S5	987.3581	NA	PeJP	NA	NA
+PJ117706	GSSSSSSTCW 	C38H57N11O18S	987.3604	NA	PeJP	NA	NA
+PJ117707	NDDEFYW 	C46H53N9O16	987.3611	NA	PeJP	NA	NA
+PJ117708	GSSSCCKMW 	C39H61N11O13S3	987.3613	NA	PeJP	NA	NA
+PJ117709	SCNNNNHW 	C39H53N15O14S	987.3617	NA	PeJP	NA	NA
+PJ117710	GGSCNNNHW 	C39H53N15O14S	987.3618	NA	PeJP	NA	NA
+PJ117711	GDMMYWW 	C47H57N9O11S2	987.3619	NA	PeJP	NA	NA
+PJ117712	CMMMMRW 	C40H65N11O8S5	987.3622	NA	PeJP	NA	NA
+PJ117713	GSSSSSSSSSE 	C34H57N11O23	987.3629	NA	PeJP	NA	NA
+PJ117714	GSSSSSSQMM 	C35H61N11O18S2	987.3638	NA	PeJP	NA	NA
+PJ117715	SSSNNNNDH 	C35H53N15O19	987.3642	NA	PeJP	NA	NA
+PJ117716	GGSSSNNNDH 	C35H53N15O19	987.3643	NA	PeJP	NA	NA
+PJ117717	GSSEEMYW 	C43H57N9O16S	987.3644	NA	PeJP	NA	NA
+PJ117718	GGGDEEMFF 	C43H57N9O16S	987.3645	NA	PeJP	NA	NA
+PJ117719	SSDMMMMR 	C36H65N11O13S4	987.3647	NA	PeJP	NA	NA
+PJ117720	GSPCCNDHR 	C36H57N15O14S2	987.3651	NA	PeJP	NA	NA
+PJ117721	GGGGGGGGNMMH 	C36H57N15O14S2	987.3652	NA	PeJP	NA	NA
+PJ117722	GPTCMMYW 	C44H61N9O11S3	987.3653	NA	PeJP	NA	NA
+PJ117723	CNNEHWW 	C44H53N13O12S	987.3658	NA	PeJP	NA	NA
+PJ117724	ACCMMHHR 	C37H61N15O9S4	987.366	NA	PeJP	NA	NA
+PJ117725	GSSSTEEEY 	C39H57N9O21	987.3669	NA	PeJP	NA	NA
+PJ117726	GSPPDEEEE 	C39H57N9O21	987.367	NA	PeJP	NA	NA
+PJ117727	GTQEEMMY 	C40H61N9O16S2	987.3678	NA	PeJP	NA	NA
+PJ117728	SSNNDEHW 	C40H53N13O17	987.3683	NA	PeJP	NA	NA
+PJ117729	GEMYYYY 	C48H57N7O14S	987.3684	NA	PeJP	NA	NA
+PJ117730	SSSSCCCRR 	C33H61N15O14S3	987.3685	NA	PeJP	NA	NA
+PJ117731	GTTMMMMW 	C41H65N9O11S4	987.3687	NA	PeJP	NA	NA
+PJ117732	GSCCNRYW 	C41H57N13O12S2	987.3691	NA	PeJP	NA	NA
+PJ117733	GGGSCCRYW 	C41H57N13O12S2	987.3692	NA	PeJP	NA	NA
+PJ117734	CMMFFFY 	C49H61N7O9S3	987.3693	NA	PeJP	NA	NA
+PJ117735	GSTTTEMMM 	C37H65N9O16S3	987.3712	NA	PeJP	NA	NA
+PJ117736	GSSSCNDRY 	C37H57N13O17S	987.3716	NA	PeJP	NA	NA
+PJ117737	GGGSSSCDRY 	C37H57N13O17S	987.3717	NA	PeJP	NA	NA
+PJ117738	SVQMMMMM 	C38H69N9O11S5	987.372	NA	PeJP	NA	NA
+PJ117739	GKEMMMMM 	C38H69N9O11S5	987.3721	NA	PeJP	NA	NA
+PJ117740	SDEEHWW 	C45H53N11O15	987.3723	NA	PeJP	NA	NA
+PJ117741	GCNNMMRY 	C38H61N13O12S3	987.3725	NA	PeJP	NA	NA
+PJ117742	GSSSCHHHH 	C38H53N17O13S	987.373	NA	PeJP	NA	NA
+PJ117743	PCEMHWW 	C46H57N11O10S2	987.3732	NA	PeJP	NA	NA
+PJ117744	GSSSSSSCMR 	C34H61N13O17S2	987.375	NA	PeJP	NA	NA
+PJ117745	GNNNNNNNN 	C34H53N17O18	987.3755	NA	PeJP	NA	NA
+PJ117746	GGGGGGGGGGGGGGGGG 	C34H53N17O18	987.3756	NA	PeJP	NA	NA
+PJ117747	SSSNNMYW 	C42H57N11O15S	987.3757	NA	PeJP	NA	NA
+PJ117748	GSTCCCKMR 	C35H65N13O12S4	987.3759	NA	PeJP	NA	NA
+PJ117749	GDDFYWW 	C50H53N9O13	987.3763	NA	PeJP	NA	NA
+PJ117750	CCNNNQHR 	C35H57N17O13S2	987.3764	NA	PeJP	NA	NA
+PJ117751	CDMMFRW 	C43H61N11O10S3	987.3765	NA	PeJP	NA	NA
+PJ117752	GGGCCKMFW 	C43H61N11O10S3	987.3766	NA	PeJP	NA	NA
+PJ117753	GPCDHHHW 	C43H53N15O11S	987.377	NA	PeJP	NA	NA
+PJ117754	PCCFFWW 	C51H57N9O8S2	987.3772	NA	PeJP	NA	NA
+PJ117755	SSSSSNQEY 	C38H57N11O20	987.3781	NA	PeJP	NA	NA
+PJ117756	SSSSSSSSSW 	C38H57N11O20	987.3782	NA	PeJP	NA	NA
+PJ117757	SSSSTCCKW 	C39H61N11O15S2	987.379	NA	PeJP	NA	NA
+PJ117758	GGGGGGTTMMY 	C39H61N11O15S2	987.3791	NA	PeJP	NA	NA
+PJ117759	NNNNNDHF 	C39H53N15O16	987.3795	NA	PeJP	NA	NA
+PJ117760	GGGGGGGGGGDHF 	C39H53N15O16	987.3796	NA	PeJP	NA	NA
+PJ117761	SSEMYWW 	C47H57N9O13S	987.3797	NA	PeJP	NA	NA
+PJ117762	SCCCKKMW 	C40H65N11O10S4	987.3799	NA	PeJP	NA	NA
+PJ117763	GCCEHHFR 	C40H57N15O11S2	987.3804	NA	PeJP	NA	NA
+PJ117764	GMMMFWW 	C48H61N9O8S3	987.3806	NA	PeJP	NA	NA
+PJ117765	GCNHWWW 	C48H53N13O9S	987.381	NA	PeJP	NA	NA
+PJ117766	SSSSSSSTQM 	C35H61N11O20S	987.3815	NA	PeJP	NA	NA
+PJ117767	SSSTEEYW 	C43H57N9O18	987.3822	NA	PeJP	NA	NA
+PJ117768	SSSSCQKMM 	C36H65N11O15S3	987.3824	NA	PeJP	NA	NA
+PJ117769	SNNDDMHR 	C36H57N15O16S	987.3829	NA	PeJP	NA	NA
+PJ117770	TQEMMYW 	C44H61N9O13S2	987.3831	NA	PeJP	NA	NA
+PJ117771	GTMMMMMR 	C37H69N11O10S5	987.3833	NA	PeJP	NA	NA
+PJ117772	GSSNDHWW 	C44H53N13O14	987.3835	NA	PeJP	NA	NA
+PJ117773	GGGDDHHFF 	C44H53N13O14	987.3836	NA	PeJP	NA	NA
+PJ117774	MYYYYW 	C52H57N7O11S	987.3837	NA	PeJP	NA	NA
+PJ117775	GCCCQRRY 	C37H61N15O11S3	987.3838	NA	PeJP	NA	NA
+PJ117776	CQMHHFW 	C45H57N13O9S2	987.3844	NA	PeJP	NA	NA
+PJ117777	SSSSPTEMY 	C40H61N9O18S	987.3855	NA	PeJP	NA	NA
+PJ117778	SSDKEEMY 	C40H61N9O18S	987.3856	NA	PeJP	NA	NA
+PJ117779	STEYYYY 	C48H57N7O16	987.3862	NA	PeJP	NA	NA
+PJ117780	STTTMMMW 	C41H65N9O13S3	987.3864	NA	PeJP	NA	NA
+PJ117781	DDEMHRW 	C41H57N13O14S	987.3869	NA	PeJP	NA	NA
+PJ117782	AMMFYYY 	C49H61N7O11S2	987.3871	NA	PeJP	NA	NA
+PJ117783	KMMMMMW 	C42H69N9O8S5	987.3873	NA	PeJP	NA	NA
+PJ117784	GCNHHHHF 	C42H53N17O10S	987.3883	NA	PeJP	NA	NA
+PJ117785	SSTTTTEMM 	C37H65N9O18S2	987.3889	NA	PeJP	NA	NA
+PJ117786	SSDEEEHR 	C37H57N13O19	987.3894	NA	PeJP	NA	NA
+PJ117787	STKEMMMM 	C38H69N9O13S4	987.3898	NA	PeJP	NA	NA
+PJ117788	SSCNQMRY 	C38H61N13O14S2	987.3903	NA	PeJP	NA	NA
+PJ117789	SNNNEHHH 	C38H53N17O15	987.3907	NA	PeJP	NA	NA
+PJ117790	GDDDHHHR 	C38H53N17O15	987.3908	NA	PeJP	NA	NA
+PJ117791	AEEMHWW 	C46H57N11O12S	987.3909	NA	PeJP	NA	NA
+PJ117792	ACKMMMHH 	C39H65N13O9S4	987.3912	NA	PeJP	NA	NA
+PJ117793	SCCKHHHH 	C39H57N17O10S2	987.3916	NA	PeJP	NA	NA
+PJ117794	SSSSSSSTCR 	C34H61N13O19S	987.3928	NA	PeJP	NA	NA
+PJ117795	GSSSSSQYW 	C42H57N11O17	987.3934	NA	PeJP	NA	NA
+PJ117796	GGGGAPEEEW 	C42H57N11O17	987.3935	NA	PeJP	NA	NA
+PJ117797	SSSSCCKMR 	C35H65N13O14S3	987.3936	NA	PeJP	NA	NA
+PJ117798	GSSCNNNHR 	C35H57N17O15S	987.3941	NA	PeJP	NA	NA
+PJ117799	SDMMRYW 	C43H61N11O12S2	987.3943	NA	PeJP	NA	NA
+PJ117800	NEEHHHW 	C43H53N15O13	987.3948	NA	PeJP	NA	NA
+PJ117801	APCYYWW 	C51H57N9O10S	987.3949	NA	PeJP	NA	NA
+PJ117802	GDMFFWW 	C51H57N9O10S	987.395	NA	PeJP	NA	NA
+PJ117803	CCHHFRW 	C44H57N15O8S2	987.3956	NA	PeJP	NA	NA
+PJ117804	SSSEEMRY 	C39H61N11O17S	987.3968	NA	PeJP	NA	NA
+PJ117805	AQEEYYW 	C47H57N9O15	987.3974	NA	PeJP	NA	NA
+PJ117806	GAAEEYYW 	C47H57N9O15	987.3975	NA	PeJP	NA	NA
+PJ117807	QEMMMRY 	C40H65N11O12S3	987.3977	NA	PeJP	NA	NA
+PJ117808	GSCNEHRW 	C40H57N15O13S	987.3981	NA	PeJP	NA	NA
+PJ117809	GGGSCEHRW 	C40H57N15O13S	987.3982	NA	PeJP	NA	NA
+PJ117810	ATMMYWW 	C48H61N9O10S2	987.3983	NA	PeJP	NA	NA
+PJ117811	GSSSSSSSTTT 	C35H61N11O22	987.3993	NA	PeJP	NA	NA
+PJ117812	GSSSSSSKMM 	C36H65N11O17S2	987.4002	NA	PeJP	NA	NA
+PJ117813	GSSSNDEHR 	C36H57N15O18	987.4006	NA	PeJP	NA	NA
+PJ117814	GGGSSSDEHR 	C36H57N15O18	987.4007	NA	PeJP	NA	NA
+PJ117815	GTTTEMYW 	C44H61N9O15S	987.4008	NA	PeJP	NA	NA
+PJ117816	STTMMMMR 	C37H69N11O12S4	987.401	NA	PeJP	NA	NA
+PJ117817	GPYYYYY 	C52H57N7O13	987.4015	NA	PeJP	NA	NA
+PJ117818	VQMMMYW 	C45H65N9O10S3	987.4017	NA	PeJP	NA	NA
+PJ117819	SNQMHWW 	C45H57N13O11S	987.4021	NA	PeJP	NA	NA
+PJ117820	GGSQMHWW 	C45H57N13O11S	987.4022	NA	PeJP	NA	NA
+PJ117821	CMFFFFF 	C53H61N7O8S2	987.4023	NA	PeJP	NA	NA
+PJ117822	SSSSSLEEY 	C40H61N9O20	987.4033	NA	PeJP	NA	NA
+PJ117823	GTKEEMMY 	C41H65N9O15S2	987.4042	NA	PeJP	NA	NA
+PJ117824	SSSSSPNHW 	C41H57N13O16	987.4046	NA	PeJP	NA	NA
+PJ117825	GPNDDERW 	C41H57N13O16	987.4047	NA	PeJP	NA	NA
+PJ117826	SVMYYYY 	C49H61N7O13S	987.4048	NA	PeJP	NA	NA
+PJ117827	GPKMMMMY 	C42H69N9O10S4	987.4051	NA	PeJP	NA	NA
+PJ117828	QQQMMHW 	C42H61N13O11S2	987.4055	NA	PeJP	NA	NA
+PJ117829	GGGGGVMMHW 	C42H61N13O11S2	987.4056	NA	PeJP	NA	NA
+PJ117830	GSNNHHHW 	C42H53N17O12	987.406	NA	PeJP	NA	NA
+PJ117831	PPCNWWW 	C50H57N11O9S	987.4062	NA	PeJP	NA	NA
+PJ117832	SSSTTLMMM 	C38H69N9O15S3	987.4075	NA	PeJP	NA	NA
+PJ117833	STTTTCLMM 	C38H69N9O15S3	987.4076	NA	PeJP	NA	NA
+PJ117834	GSSSSNMRY 	C38H61N13O16S	987.408	NA	PeJP	NA	NA
+PJ117835	GGGSPPDDMR 	C38H61N13O16S	987.4081	NA	PeJP	NA	NA
+PJ117836	SVKMMMMM 	C39H73N9O10S5	987.4084	NA	PeJP	NA	NA
+PJ117837	TTEEHWW 	C46H57N11O14	987.4087	NA	PeJP	NA	NA
+PJ117838	CEMMRRY 	C39H65N13O11S3	987.4089	NA	PeJP	NA	NA
+PJ117839	SPCDHHHR 	C39H57N17O12S	987.4094	NA	PeJP	NA	NA
+PJ117840	PTMMHWW 	C47H61N11O9S2	987.4096	NA	PeJP	NA	NA
+PJ117841	GEHHHWW 	C47H53N15O10	987.41	NA	PeJP	NA	NA
+PJ117842	NNNNNNER 	C35H57N17O17	987.4119	NA	PeJP	NA	NA
+PJ117843	SSSCQKYW 	C43H61N11O14S	987.412	NA	PeJP	NA	NA
+PJ117844	GGSSTCKYW 	C43H61N11O14S	987.4121	NA	PeJP	NA	NA
+PJ117845	AAEYYWW 	C51H57N9O12	987.4127	NA	PeJP	NA	NA
+PJ117846	GCNDMHRR 	C36H61N17O12S2	987.4128	NA	PeJP	NA	NA
+PJ117847	AMMMRYW 	C44H65N11O9S3	987.4129	NA	PeJP	NA	NA
+PJ117848	SCNHRWW 	C44H57N15O10S	987.4134	NA	PeJP	NA	NA
+PJ117849	SSSSSNKEY 	C39H61N11O19	987.4145	NA	PeJP	NA	NA
+PJ117850	GGGSSSSSSLY 	C39H61N11O19	987.4146	NA	PeJP	NA	NA
+PJ117851	GTTEMMRY 	C40H65N11O14S2	987.4154	NA	PeJP	NA	NA
+PJ117852	GGGGGPPVEMM 	C40H65N11O14S2	987.4155	NA	PeJP	NA	NA
+PJ117853	SSSNDHRW 	C40H57N15O15	987.4159	NA	PeJP	NA	NA
+PJ117854	TTTMYWW 	C48H61N9O12S	987.4161	NA	PeJP	NA	NA
+PJ117855	AAMMMMFR 	C41H69N11O9S4	987.4163	NA	PeJP	NA	NA
+PJ117856	FFYYYW 	C56H57N7O10	987.4167	NA	PeJP	NA	NA
+PJ117857	NNMMHRW 	C41H61N15O10S2	987.4168	NA	PeJP	NA	NA
+PJ117858	SSSSSSSTKM 	C36H65N11O19S	987.4179	NA	PeJP	NA	NA
+PJ117859	STTTTEYW 	C44H61N9O17	987.4186	NA	PeJP	NA	NA
+PJ117860	SSSSCKKMM 	C37H69N11O14S3	987.4188	NA	PeJP	NA	NA
+PJ117861	SSNQEMHR 	C37H61N15O15S	987.4193	NA	PeJP	NA	NA
+PJ117862	TKEMMYW 	C45H65N9O12S2	987.4194	NA	PeJP	NA	NA
+PJ117863	PPPTEMMW 	C45H65N9O12S2	987.4195	NA	PeJP	NA	NA
+PJ117864	PNDDRWW 	C45H57N13O13	987.4199	NA	PeJP	NA	NA
+PJ117865	AMFFFYY 	C53H61N7O10S	987.4201	NA	PeJP	NA	NA
+PJ117866	GPPPCCCRR 	C38H65N15O10S3	987.4202	NA	PeJP	NA	NA
+PJ117867	GCNQHHHR 	C38H57N19O11S	987.4206	NA	PeJP	NA	NA
+PJ117868	CKMHHFW 	C46H61N13O8S2	987.4208	NA	PeJP	NA	NA
+PJ117869	STTKEEMY 	C41H65N9O17S	987.4219	NA	PeJP	NA	NA
+PJ117870	PPKEEEEM 	C41H65N9O17S	987.422	NA	PeJP	NA	NA
+PJ117871	GVKEMMMY 	C42H69N9O12S3	987.4228	NA	PeJP	NA	NA
+PJ117872	TEEMHRW 	C42H61N13O13S	987.4233	NA	PeJP	NA	NA
+PJ117873	GPQEWWW 	C50H57N11O11	987.4239	NA	PeJP	NA	NA
+PJ117874	GGGGNFFFW 	C50H57N11O11	987.424	NA	PeJP	NA	NA
+PJ117875	PMMMHRW 	C43H65N13O8S3	987.4242	NA	PeJP	NA	NA
+PJ117876	HHHWWW 	C51H53N15O7	987.4253	NA	PeJP	NA	NA
+PJ117877	SSSSSSQRY 	C38H61N13O18	987.4258	NA	PeJP	NA	NA
+PJ117878	SSCNKMRY 	C39H65N13O13S2	987.4267	NA	PeJP	NA	NA
+PJ117879	GNNNNNRW 	C39H57N17O14	987.4271	NA	PeJP	NA	NA
+PJ117880	GGGGGGGNNRW 	C39H57N17O14	987.4272	NA	PeJP	NA	NA
+PJ117881	SLEMHWW 	C47H61N11O11S	987.4273	NA	PeJP	NA	NA
+PJ117882	TFYWWW 	C55H57N9O9	987.428	NA	PeJP	NA	NA
+PJ117883	GSSSSSKYW 	C43H61N11O16	987.4298	NA	PeJP	NA	NA
+PJ117884	SSCNEHRR 	C36H61N17O14S	987.4305	NA	PeJP	NA	NA
+PJ117885	TTMMRYW 	C44H65N11O11S2	987.4307	NA	PeJP	NA	NA
+PJ117886	NNDHFRW 	C44H57N15O12	987.4311	NA	PeJP	NA	NA
+PJ117887	GGNDHFRW 	C44H57N15O12	987.4312	NA	PeJP	NA	NA
+PJ117888	GVMFYWW 	C52H61N9O9S	987.4313	NA	PeJP	NA	NA
+PJ117889	HHHHHHF 	C45H53N19O8	987.4325	NA	PeJP	NA	NA
+PJ117890	STTTEMRY 	C40H65N11O16S	987.4332	NA	PeJP	NA	NA
+PJ117891	PLEEEWW 	C48H61N9O14	987.4338	NA	PeJP	NA	NA
+PJ117892	GGGVEEFFF 	C48H61N9O14	987.4339	NA	PeJP	NA	NA
+PJ117893	GSLMMMRY 	C41H69N11O11S3	987.434	NA	PeJP	NA	NA
+PJ117894	KEMMMRY 	C41H69N11O11S3	987.4341	NA	PeJP	NA	NA
+PJ117895	GSSQMHRW 	C41H61N15O12S	987.4345	NA	PeJP	NA	NA
+PJ117896	GGGGGGGPMRW 	C41H61N15O12S	987.4346	NA	PeJP	NA	NA
+PJ117897	VQMMFFW 	C49H65N9O9S2	987.4347	NA	PeJP	NA	NA
+PJ117898	GQQHFWW 	C49H57N13O10	987.4352	NA	PeJP	NA	NA
+PJ117899	SPNDDERR 	C37H61N15O17	987.437	NA	PeJP	NA	NA
+PJ117900	GGGGGAAQEER 	C37H61N15O17	987.4371	NA	PeJP	NA	NA
+PJ117901	SSTTLMYW 	C45H65N9O14S	987.4372	NA	PeJP	NA	NA
+PJ117902	GLFYYYY 	C53H61N7O12	987.4378	NA	PeJP	NA	NA
+PJ117903	EEMMHRR 	C38H65N15O12S2	987.4379	NA	PeJP	NA	NA
+PJ117904	VKMMMYW 	C46H69N9O9S3	987.4381	NA	PeJP	NA	NA
+PJ117905	SSNNHHHR 	C38H57N19O13	987.4384	NA	PeJP	NA	NA
+PJ117906	GSPPCRWW 	C46H61N13O10S	987.4385	NA	PeJP	NA	NA
+PJ117907	GGSKMHWW 	C46H61N13O10S	987.4386	NA	PeJP	NA	NA
+PJ117908	PQWWWW 	C54H57N11O8	987.4392	NA	PeJP	NA	NA
+PJ117909	SSSTTTLEY 	C41H65N9O19	987.4397	NA	PeJP	NA	NA
+PJ117910	SSLKEMMY 	C42H69N9O14S2	987.4406	NA	PeJP	NA	NA
+PJ117911	GSPQEERW 	C42H61N13O15	987.441	NA	PeJP	NA	NA
+PJ117912	ASPNEERW 	C42H61N13O15	987.4411	NA	PeJP	NA	NA
+PJ117913	GLKMMMMF 	C43H73N9O9S4	987.4415	NA	PeJP	NA	NA
+PJ117914	VEMMHRW 	C43H65N13O10S2	987.4419	NA	PeJP	NA	NA
+PJ117915	SEHHHRW 	C43H57N17O11	987.4424	NA	PeJP	NA	NA
+PJ117916	MFRYWW 	C51H61N11O8S	987.4426	NA	PeJP	NA	NA
+PJ117917	GSSSTCKRY 	C39H65N13O15S	987.4444	NA	PeJP	NA	NA
+PJ117918	GGGGGGAAPKEM 	C39H65N13O15S	987.4445	NA	PeJP	NA	NA
+PJ117919	PNKEEWW 	C47H61N11O13	987.4451	NA	PeJP	NA	NA
+PJ117920	TMMMRRY 	C40H69N13O10S3	987.4453	NA	PeJP	NA	NA
+PJ117921	GSSCHRRW 	C40H61N17O11S	987.4458	NA	PeJP	NA	NA
+PJ117922	VVMMHWW 	C48H65N11O8S2	987.4459	NA	PeJP	NA	NA
+PJ117923	SVHHHWW 	C48H57N15O9	987.4464	NA	PeJP	NA	NA
+PJ117924	SNNNQQQR 	C36H61N17O16	987.4482	NA	PeJP	NA	NA
+PJ117925	GSSSSDHRR 	C36H61N17O16	987.4483	NA	PeJP	NA	NA
+PJ117926	SSSCKKYW 	C44H65N11O13S	987.4484	NA	PeJP	NA	NA
+PJ117927	GGSPPKEMW 	C44H65N11O13S	987.4485	NA	PeJP	NA	NA
+PJ117928	GTLYYWW 	C52H61N9O11	987.4491	NA	PeJP	NA	NA
+PJ117929	LQMHHHW 	C45H61N15O9S	987.4498	NA	PeJP	NA	NA
+PJ117930	SSSSSDKKY 	C40H65N11O18	987.4509	NA	PeJP	NA	NA
+PJ117931	SPLEEEER 	C40H65N11O18	987.451	NA	PeJP	NA	NA
+PJ117932	SSTLMMRY 	C41H69N11O13S2	987.4518	NA	PeJP	NA	NA
+PJ117933	GSPDDRRW 	C41H61N15O14	987.4523	NA	PeJP	NA	NA
+PJ117934	CLLQYYW 	C49H65N9O11S	987.4524	NA	PeJP	NA	NA
+PJ117935	PTKMYYW 	C49H65N9O11S	987.4525	NA	PeJP	NA	NA
+PJ117936	AFFFFFY 	C57H61N7O9	987.4531	NA	PeJP	NA	NA
+PJ117937	APPCCRRW 	C42H65N15O9S2	987.4532	NA	PeJP	NA	NA
+PJ117938	GVQHHHHH 	C42H57N19O10	987.4536	NA	PeJP	NA	NA
+PJ117939	ASSSPTLYY 	C45H65N9O16	987.4549	NA	PeJP	NA	NA
+PJ117940	SPVLEEEW 	C45H65N9O16	987.455	NA	PeJP	NA	NA
+PJ117941	STTQQMHR 	C38H65N15O14S	987.4556	NA	PeJP	NA	NA
+PJ117942	GPNEEMRR 	C38H65N15O14S	987.4557	NA	PeJP	NA	NA
+PJ117943	PPVVEMMW 	C46H69N9O11S2	987.4558	NA	PeJP	NA	NA
+PJ117944	SPQERWW 	C46H61N13O12	987.4563	NA	PeJP	NA	NA
+PJ117945	DMHHHRR 	C39H61N19O10S	987.457	NA	PeJP	NA	NA
+PJ117946	SSSSTLLMY 	C42H69N9O16S	987.4583	NA	PeJP	NA	NA
+PJ117947	GAPLLEEEM 	C42H69N9O16S	987.4584	NA	PeJP	NA	NA
+PJ117948	ATLKMMMY 	C43H73N9O11S3	987.4592	NA	PeJP	NA	NA
+PJ117949	SNNNNNRR 	C35H61N19O15	987.4595	NA	PeJP	NA	NA
+PJ117950	AAPQEMRW 	C43H65N13O12S	987.4597	NA	PeJP	NA	NA
+PJ117951	GPKEWWW 	C51H61N11O10	987.4603	NA	PeJP	NA	NA
+PJ117952	GTCCHRRR 	C36H65N19O10S2	987.4604	NA	PeJP	NA	NA
+PJ117953	CLHHHRW 	C44H61N17O8S	987.461	NA	PeJP	NA	NA
+PJ117954	SSSSSSKRY 	C39H65N13O17	987.4622	NA	PeJP	NA	NA
+PJ117955	STCCKKRY 	C40H69N13O12S2	987.463	NA	PeJP	NA	NA
+PJ117956	ATLEMMHR 	C40H69N13O12S2	987.4631	NA	PeJP	NA	NA
+PJ117957	NNNERRW 	C40H61N17O13	987.4635	NA	PeJP	NA	NA
+PJ117958	GGGGGGGAPKHH 	C40H61N17O13	987.4636	NA	PeJP	NA	NA
+PJ117959	GSPPKMWW 	C48H65N11O10S	987.4637	NA	PeJP	NA	NA
+PJ117960	GVFFFWW 	C56H61N9O8	987.4644	NA	PeJP	NA	NA
+PJ117961	QHHHHHR 	C41H57N21O9	987.4649	NA	PeJP	NA	NA
+PJ117962	TTTTLEHW 	C44H65N11O15	987.4662	NA	PeJP	NA	NA
+PJ117963	GPCDERRR 	C37H65N17O13S	987.4669	NA	PeJP	NA	NA
+PJ117964	GTLLMMHW 	C45H69N11O10S2	987.4671	NA	PeJP	NA	NA
+PJ117965	GQQQRWW 	C45H61N15O11	987.4675	NA	PeJP	NA	NA
+PJ117966	GGGAAQRWW 	C45H61N15O11	987.4676	NA	PeJP	NA	NA
+PJ117967	LMHFFFF 	C53H65N9O8S	987.4677	NA	PeJP	NA	NA
+MJ099161	Cephabacin M; Cephabacin M4 	C41H69N11O15S	987.469531	NA	MeJP	NA	NA
+PJ117968	GSSSTKKMY 	C41H69N11O15S	987.4696	NA	PeJP	NA	NA
+PJ117969	SLKEYYW 	C49H65N9O13	987.4702	NA	PeJP	NA	NA
+PJ117970	GCKKKMMY 	C42H73N11O10S3	987.4704	NA	PeJP	NA	NA
+PJ117971	GGVLLMMMH 	C42H73N11O10S3	987.4705	NA	PeJP	NA	NA
+PJ117972	PNEMRRW 	C42H65N15O11S	987.4709	NA	PeJP	NA	NA
+PJ117973	VKMMFFW 	C50H69N9O8S2	987.4711	NA	PeJP	NA	NA
+PJ117974	GPTRWWW 	C50H61N13O9	987.4716	NA	PeJP	NA	NA
+PJ117975	AAQEEERR 	C38H65N15O16	987.4734	NA	PeJP	NA	NA
+PJ117976	GGGGGGGGGAKKE 	C38H65N15O16	987.4735	NA	PeJP	NA	NA
+PJ117977	APLLEEMW 	C46H69N9O13S	987.4736	NA	PeJP	NA	NA
+PJ117978	SPPNMMRR 	C39H69N15O11S2	987.4743	NA	PeJP	NA	NA
+PJ117979	GPNDHHRR 	C39H61N19O12	987.4748	NA	PeJP	NA	NA
+PJ117980	PVNMRWW 	C47H65N13O9S	987.4749	NA	PeJP	NA	NA
+PJ117981	PKWWWW 	C55H61N11O7	987.4756	NA	PeJP	NA	NA
+PJ117982	STTTTTTLY 	C42H69N9O18	987.4761	NA	PeJP	NA	NA
+PJ117983	TTTLKMMY 	C43H73N9O13S2	987.477	NA	PeJP	NA	NA
+PJ117984	GSPKEERW 	C43H65N13O14	987.4774	NA	PeJP	NA	NA
+PJ117985	GGAALEERW 	C43H65N13O14	987.4775	NA	PeJP	NA	NA
+PJ117986	SSSCHRRR 	C36H65N19O12S	987.4781	NA	PeJP	NA	NA
+PJ117987	APPCKMRW 	C44H69N13O9S2	987.4783	NA	PeJP	NA	NA
+PJ117988	GNNRRWW 	C44H61N17O10	987.4788	NA	PeJP	NA	NA
+PJ117989	TTTLEMHR 	C40H69N13O14S	987.4808	NA	PeJP	NA	NA
+PJ117990	ASPTLQWW 	C48H65N11O12	987.4814	NA	PeJP	NA	NA
+MJ099162	Periplanetin CC2 	C48H65N11O12	987.481416	NA	MeJP	NA	NA
+PJ117991	PDKKEWW 	C48H65N11O12	987.4815	NA	PeJP	NA	NA
+PJ117992	GLLMMMHR 	C41H73N13O9S3	987.4817	NA	PeJP	NA	NA
+PJ117993	NQMHFRR 	C41H65N17O10S	987.4821	NA	PeJP	NA	NA
+PJ117994	PCDRRRW 	C41H65N17O10S	987.4822	NA	PeJP	NA	NA
+PJ117995	PKHHHFW 	C49H61N15O8	987.4828	NA	PeJP	NA	NA
+PJ117996	NEEERRR 	C37H65N17O15	987.4846	NA	PeJP	NA	NA
+PJ117997	GGEEERRR 	C37H65N17O15	987.4847	NA	PeJP	NA	NA
+MJ099163	Carbetocin 	C45H69N11O12S	987.484787	NA	MeJP	NA	NA
+PJ117998	STTLLMHW 	C45H69N11O12S	987.4848	NA	PeJP	NA	NA
+PJ117999	GGGGGPPVLMF 	C45H69N11O12S	987.4849	NA	PeJP	NA	NA
+PJ118000	PTKFFYW 	C53H65N9O10	987.4855	NA	PeJP	NA	NA
+PJ118001	GPMRRWW 	C46H65N15O8S	987.4862	NA	PeJP	NA	NA
+PJ118002	SSSSTTKKY 	C41H69N11O17	987.4873	NA	PeJP	NA	NA
+PJ118003	GGGGLLKEEE 	C41H69N11O17	987.4874	NA	PeJP	NA	NA
+PJ118004	STCKKKMY 	C42H73N11O12S2	987.4882	NA	PeJP	NA	NA
+PJ118005	VNEERRW 	C42H65N15O13	987.4887	NA	PeJP	NA	NA
+PJ118006	VVKMYYW 	C50H69N9O10S	987.4888	NA	PeJP	NA	NA
+PJ118007	PPPVVMYW 	C50H69N9O10S	987.4889	NA	PeJP	NA	NA
+PJ118008	CKKMHRW 	C43H69N15O8S2	987.4895	NA	PeJP	NA	NA
+PJ118009	APPHHHHR 	C43H61N19O9	987.49	NA	PeJP	NA	NA
+PJ118010	PTTILEEW 	C46H69N9O15	987.4913	NA	PeJP	NA	NA
+PJ118011	GLLLEEEW 	C46H69N9O15	987.4914	NA	PeJP	NA	NA
+PJ118012	APTQEMRR 	C39H69N15O13S	987.492	NA	PeJP	NA	NA
+PJ118013	GPDKEMRR 	C39H69N15O13S	987.4921	NA	PeJP	NA	NA
+PJ118014	PPTLLMMW 	C47H73N9O10S2	987.4922	NA	PeJP	NA	NA
+PJ118015	SPKERWW 	C47H65N13O11	987.4927	NA	PeJP	NA	NA
+PJ118016	CNHFRRR 	C40H65N19O9S	987.4934	NA	PeJP	NA	NA
+PJ118017	PLLKEEEM 	C43H73N9O15S	987.4947	NA	PeJP	NA	NA
+PJ118018	GPPVLLMMM 	C44H77N9O10S3	987.4956	NA	PeJP	NA	NA
+PJ118019	DDDRRRR 	C36H65N19O14	987.4959	NA	PeJP	NA	NA
+PJ118020	AAPKEMRW 	C44H69N13O11S	987.4961	NA	PeJP	NA	NA
+PJ118021	SPVKWWW 	C52H65N11O9	987.4967	NA	PeJP	NA	NA
+PJ118022	VTQQQQKE 	C40H69N13O16	987.4985	NA	PeJP	NA	NA
+PJ118023	GLQKEEER 	C40H69N13O16	987.4986	NA	PeJP	NA	NA
+PJ118024	STLLMMHR 	C41H73N13O11S2	987.4994	NA	PeJP	NA	NA
+PJ118025	GGGGPLLMMR 	C41H73N13O11S2	987.4995	NA	PeJP	NA	NA
+PJ118026	GEERRRW 	C41H65N17O12	987.4999	NA	PeJP	NA	NA
+PJ118027	PLQKMWW 	C49H69N11O9S	987.5001	NA	PeJP	NA	NA
+PJ118028	KHHHHHR 	C42H61N21O8	987.5013	NA	PeJP	NA	NA
+PJ118029	APTKKEEW 	C45H69N11O14	987.5026	NA	PeJP	NA	NA
+PJ118030	GSPEMRRR 	C38H69N17O12S	987.5033	NA	PeJP	NA	NA
+PJ118031	APPKKMMW 	C46H73N11O9S2	987.5035	NA	PeJP	NA	NA
+PJ118032	GVERRWW 	C46H65N15O10	987.5039	NA	PeJP	NA	NA
+PJ118033	STTTCLLLH 	C42H73N11O14S	987.5059	NA	PeJP	NA	NA
+PJ118034	PTLLEEMR 	C42H73N11O14S	987.506	NA	PeJP	NA	NA
+PJ118035	LLLEEWW 	C50H69N9O12	987.5066	NA	PeJP	NA	NA
+PJ118036	PPLLMMMR 	C43H77N11O9S3	987.5068	NA	PeJP	NA	NA
+PJ118037	PDKMRRW 	C43H69N15O10S	987.5073	NA	PeJP	NA	NA
+PJ118038	AALRWWW 	C51H65N13O8	987.508	NA	PeJP	NA	NA
+PJ118039	AAKEEERR 	C39H69N15O15	987.5098	NA	PeJP	NA	NA
+PJ118040	SPLLLEMW 	C47H73N9O12S	987.51	NA	PeJP	NA	NA
+PJ118041	GPLQMMRR 	C40H73N15O10S2	987.5107	NA	PeJP	NA	NA
+PJ118042	SNNRRRW 	C40H65N19O11	987.5111	NA	PeJP	NA	NA
+PJ118043	GGGGSRRRW 	C40H65N19O11	987.5112	NA	PeJP	NA	NA
+PJ118044	PCLKRWW 	C48H69N13O8S	987.5113	NA	PeJP	NA	NA
+PJ118045	VLLKEEEE 	C43H73N9O17	987.5125	NA	PeJP	NA	NA
+PJ118046	SSPPLLLMM 	C44H77N9O12S2	987.5133	NA	PeJP	NA	NA
+PJ118047	AAPLLLEMM 	C44H77N9O12S2	987.5134	NA	PeJP	NA	NA
+PJ118048	LQKEERW 	C44H69N13O13	987.5138	NA	PeJP	NA	NA
+PJ118049	GGGGGGAAPLKF 	C44H69N13O13	987.5139	NA	PeJP	NA	NA
+PJ118050	NQQMRRR 	C37H69N19O11S	987.5145	NA	PeJP	NA	NA
+PJ118051	KKKMMHW 	C45H73N13O8S2	987.5147	NA	PeJP	NA	NA
+PJ118052	ERRRWW 	C45H65N17O9	987.5152	NA	PeJP	NA	NA
+PJ118053	APKKEEMR 	C41H73N13O13S	987.5172	NA	PeJP	NA	NA
+PJ118054	VLQKEWW 	C49H69N11O11	987.5178	NA	PeJP	NA	NA
+PJ118055	GGLLKEWW 	C49H69N11O11	987.5179	NA	PeJP	NA	NA
+PJ118056	SPMRRRW 	C42H69N17O9S	987.5185	NA	PeJP	NA	NA
+PJ118057	VRRWWW 	C50H65N15O7	987.5192	NA	PeJP	NA	NA
+PJ118058	DKEERRR 	C38H69N17O14	987.521	NA	PeJP	NA	NA
+PJ118059	GGGGATKERR 	C38H69N17O14	987.5211	NA	PeJP	NA	NA
+PJ118060	GPLKKEMW 	C46H73N11O11S	987.5212	NA	PeJP	NA	NA
+PJ118061	VVKFFYW 	C54H69N9O9	987.5219	NA	PeJP	NA	NA
+PJ118062	SLLLEEER 	C42H73N11O16	987.5237	NA	PeJP	NA	NA
+PJ118063	PVLLEMMR 	C43H77N11O11S2	987.5246	NA	PeJP	NA	NA
+PJ118064	APTTTRRW 	C43H69N15O12	987.525	NA	PeJP	NA	NA
+PJ118065	VDKERRW 	C43H69N15O12	987.5251	NA	PeJP	NA	NA
+PJ118066	PPVVLMFW 	C51H73N9O9S	987.5252	NA	PeJP	NA	NA
+PJ118067	CNQRRRR 	C36H69N21O10S	987.5257	NA	PeJP	NA	NA
+PJ118068	GGCQRRRR 	C36H69N21O10S	987.5258	NA	PeJP	NA	NA
+PJ118069	VHHHFRR 	C44H65N19O8	987.5264	NA	PeJP	NA	NA
+PJ118070	SVLLLEEW 	C47H73N9O14	987.5277	NA	PeJP	NA	NA
+PJ118071	AAPVLLEEF 	C47H73N9O14	987.5278	NA	PeJP	NA	NA
+PJ118072	APTKEMRR 	C40H73N15O12S	987.5284	NA	PeJP	NA	NA
+PJ118073	GGGGGGVLKMR 	C40H73N15O12S	987.5285	NA	PeJP	NA	NA
+PJ118074	PVVLLMMW 	C48H77N9O9S2	987.5286	NA	PeJP	NA	NA
+PJ118075	ALKERWW 	C48H69N13O10	987.5291	NA	PeJP	NA	NA
+PJ118076	LLLLQEEM 	C44H77N9O14S	987.5311	NA	PeJP	NA	NA
+PJ118077	SEERRRR 	C37H69N19O13	987.5323	NA	PeJP	NA	NA
+PJ118078	ASPLKMRW 	C45H73N13O10S	987.5324	NA	PeJP	NA	NA
+PJ118079	GPTLKMRW 	C45H73N13O10S	987.5325	NA	PeJP	NA	NA
+PJ118080	GLLKWWW 	C53H69N11O8	987.5331	NA	PeJP	NA	NA
+PJ118081	SVLQKEER 	C41H73N13O15	987.5349	NA	PeJP	NA	NA
+PJ118082	GLKKEEER 	C41H73N13O15	987.535	NA	PeJP	NA	NA
+PJ118083	PPTKKMMR 	C42H77N13O10S2	987.5358	NA	PeJP	NA	NA
+PJ118084	SVERRRW 	C42H69N17O11	987.5363	NA	PeJP	NA	NA
+PJ118085	PLKKMWW 	C50H73N11O8S	987.5365	NA	PeJP	NA	NA
+PJ118086	GVLKKEEW 	C46H73N11O13	987.539	NA	PeJP	NA	NA
+PJ118087	LQEMRRR 	C39H73N17O11S	987.5397	NA	PeJP	NA	NA
+PJ118088	ATLRRWW 	C47H69N15O9	987.5403	NA	PeJP	NA	NA
+PJ118089	GSPVLKKEM 	C43H77N11O13S	987.5423	NA	PeJP	NA	NA
+PJ118090	VVLLEEMR 	C43H77N11O13S	987.5424	NA	PeJP	NA	NA
+PJ118091	SPPLLLYW 	C51H73N9O11	987.543	NA	PeJP	NA	NA
+PJ118092	GSSNRRRR 	C36H69N21O12	987.5435	NA	PeJP	NA	NA
+PJ118093	VLQMRRW 	C44H73N15O9S	987.5437	NA	PeJP	NA	NA
+PJ118094	GTLKEERR 	C40H73N15O14	987.5462	NA	PeJP	NA	NA
+PJ118095	ALLLLEMW 	C48H77N9O11S	987.5464	NA	PeJP	NA	NA
+PJ118096	GPLKMMRR 	C41H77N15O9S2	987.5471	NA	PeJP	NA	NA
+PJ118097	GPTKHHRR 	C41H69N19O10	987.5475	NA	PeJP	NA	NA
+PJ118098	GTTLLLLEE 	C44H77N9O16	987.5489	NA	PeJP	NA	NA
+PJ118099	GPTLLLLMM 	C45H81N9O11S2	987.5497	NA	PeJP	NA	NA
+PJ118100	LKKEERW 	C45H73N13O12	987.5502	NA	PeJP	NA	NA
+PJ118101	VDMRRRR 	C38H73N19O10S	987.5509	NA	PeJP	NA	NA
+PJ118102	PKKHHRW 	C46H69N17O8	987.5515	NA	PeJP	NA	NA
+PJ118103	APFRRRW 	C46H69N17O8	987.5516	NA	PeJP	NA	NA
+PJ118104	SPLKKEMR 	C42H77N13O12S	987.5536	NA	PeJP	NA	NA
+PJ118105	VLKKEWW 	C50H73N11O10	987.5542	NA	PeJP	NA	NA
+PJ118106	ALMRRRW 	C43H73N17O8S	987.5549	NA	PeJP	NA	NA
+PJ118107	GTTLERRR 	C39H73N17O13	987.5574	NA	PeJP	NA	NA
+PJ118108	SPVLKKMW 	C47H77N11O10S	987.5576	NA	PeJP	NA	NA
+PJ118109	VQHHRRR 	C40H69N21O9	987.5588	NA	PeJP	NA	NA
+PJ118110	VVKKKEEE 	C43H77N11O15	987.5601	NA	PeJP	NA	NA
+PJ118111	PLLQKKMM 	C44H81N11O10S2	987.561	NA	PeJP	NA	NA
+PJ118112	TLKERRW 	C44H73N15O11	987.5614	NA	PeJP	NA	NA
+PJ118113	GGKKKERW 	C44H73N15O11	987.5615	NA	PeJP	NA	NA
+PJ118114	CNKRRRR 	C37H73N21O9S	987.5621	NA	PeJP	NA	NA
+PJ118115	TTLLLLEW 	C48H77N9O13	987.5641	NA	PeJP	NA	NA
+PJ118116	GVLKEMRR 	C41H77N15O11S	987.5648	NA	PeJP	NA	NA
+PJ118117	SLLKRWW 	C49H73N13O9	987.5655	NA	PeJP	NA	NA
+PJ118118	LLLLKEEM 	C45H81N9O13S	987.5675	NA	PeJP	NA	NA
+PJ118119	GSTQKRRR 	C38H73N19O12	987.5687	NA	PeJP	NA	NA
+PJ118120	AALLKMRW 	C46H77N13O9S	987.5688	NA	PeJP	NA	NA
+PJ118121	AHHRRRR 	C39H69N23O8	987.57	NA	PeJP	NA	NA
+PJ118122	SVLKKEER 	C42H77N13O14	987.5713	NA	PeJP	NA	NA
+PJ118123	AAADKKKKE 	C42H77N13O14	987.5714	NA	PeJP	NA	NA
+PJ118124	PVVKKMMR 	C43H81N13O9S2	987.5722	NA	PeJP	NA	NA
+PJ118125	TTLRRRW 	C43H73N17O10	987.5727	NA	PeJP	NA	NA
+PJ118126	VTTILQKW 	C47H77N11O12	987.5753	NA	PeJP	NA	NA
+PJ118127	ATLLKKEW 	C47H77N11O12	987.5754	NA	PeJP	NA	NA
+PJ118128	GCLQKKRR 	C40H77N17O10S	987.576	NA	PeJP	NA	NA
+PJ118129	LKEMRRR 	C40H77N17O10S	987.5761	NA	PeJP	NA	NA
+PJ118130	GKKKRWW 	C48H73N15O8	987.5767	NA	PeJP	NA	NA
+PJ118131	TLLLLEMR 	C44H81N11O12S	987.5787	NA	PeJP	NA	NA
+PJ118132	APLLLLYW 	C52H77N9O10	987.5794	NA	PeJP	NA	NA
+PJ118133	VLKMRRW 	C45H77N15O8S	987.5801	NA	PeJP	NA	NA
+PJ118134	SSLLKERR 	C41H77N15O13	987.5826	NA	PeJP	NA	NA
+PJ118135	SLLLLLMW 	C49H81N9O10S	987.5828	NA	PeJP	NA	NA
+PJ118136	PTFRRRR 	C42H73N19O9	987.5839	NA	PeJP	NA	NA
+PJ118137	SSTIILLLE 	C45H81N9O15	987.5852	NA	PeJP	NA	NA
+PJ118138	SSTLLLLLE 	C45H81N9O15	987.5853	NA	PeJP	NA	NA
+PJ118139	AALLLLLMM 	C46H85N9O10S2	987.5861	NA	PeJP	NA	NA
+PJ118140	ATTLLKRW 	C46H77N13O11	987.5866	NA	PeJP	NA	NA
+PJ118141	TLMRRRR 	C39H77N19O9S	987.5873	NA	PeJP	NA	NA
+PJ118142	ALLKKEMR 	C43H81N13O11S	987.59	NA	PeJP	NA	NA
+PJ118143	GPLLKKFW 	C51H77N11O9	987.5906	NA	PeJP	NA	NA
+PJ118144	SSTLLRRR 	C40H77N17O12	987.5938	NA	PeJP	NA	NA
+PJ118145	GLLLKKMW 	C48H81N11O9S	987.594	NA	PeJP	NA	NA
+PJ118146	VKHHRRR 	C41H73N21O8	987.5951	NA	PeJP	NA	NA
+PJ118147	TLLKKKEE 	C44H81N11O14	987.5965	NA	PeJP	NA	NA
+PJ118148	VLLLLMMR 	C45H85N11O9S2	987.5974	NA	PeJP	NA	NA
+PJ118149	DKKKKRW 	C45H77N15O10	987.5978	NA	PeJP	NA	NA
+PJ118150	PLLLLKEY 	C49H81N9O12	987.6005	NA	PeJP	NA	NA
+PJ118151	ATLLKMRR 	C42H81N15O10S	987.6012	NA	PeJP	NA	NA
+PJ118152	ATTLLLLLM 	C46H85N9O12S	987.6039	NA	PeJP	NA	NA
+PJ118153	GSTKKRRR 	C39H77N19O11	987.605	NA	PeJP	NA	NA
+PJ118154	TTLLKKER 	C43H81N13O13	987.6077	NA	PeJP	NA	NA
+PJ118155	SKKKRRW 	C44H77N17O9	987.6091	NA	PeJP	NA	NA
+PJ118156	STLLLKKW 	C48H81N11O11	987.6117	NA	PeJP	NA	NA
+PJ118157	GGPLLLKKY 	C48H81N11O11	987.6118	NA	PeJP	NA	NA
+PJ118158	AAKKKMRR 	C41H81N17O9S	987.6124	NA	PeJP	NA	NA
+PJ118159	VLLKKKEM 	C45H85N11O11S	987.6151	NA	PeJP	NA	NA
+PJ118160	ALLLLLFW 	C53H81N9O9	987.6158	NA	PeJP	NA	NA
+PJ118161	VTTQKKKR 	C42H81N15O12	987.6189	NA	PeJP	NA	NA
+PJ118162	TTTLLKRR 	C42H81N15O12	987.619	NA	PeJP	NA	NA
+PJ118163	VVFRRRR 	C43H77N19O8	987.6203	NA	PeJP	NA	NA
+PJ118164	TTTTLLLLL 	C46H85N9O14	987.6216	NA	PeJP	NA	NA
+PJ118165	GTLKKKKW 	C47H81N13O10	987.623	NA	PeJP	NA	NA
+PJ118166	CLLQKKKK 	C44H85N13O10S	987.6263	NA	PeJP	NA	NA
+PJ118167	SLLLKKMR 	C44H85N13O10S	987.6264	NA	PeJP	NA	NA
+PJ118168	ATTKKKRR 	C41H81N17O11	987.6302	NA	PeJP	NA	NA
+PJ118169	SSSLLLLKK 	C45H85N11O13	987.6329	NA	PeJP	NA	NA
+PJ118170	GVLLKFRR 	C46H81N15O9	987.6342	NA	PeJP	NA	NA
+PJ118171	LLLLLLQY 	C50H85N9O11	987.6369	NA	PeJP	NA	NA
+PJ118172	GLKKKKMR 	C43H85N15O9S	987.6376	NA	PeJP	NA	NA
+PJ118173	SLKKKKKE 	C44H85N13O12	987.6441	NA	PeJP	NA	NA
+PJ118174	LLKFRRR 	C45H81N17O8	987.6455	NA	PeJP	NA	NA
+PJ118175	VVLLLLRY 	C49H85N11O10	987.6481	NA	PeJP	NA	NA
+PJ118176	STLKKKKR 	C43H85N15O11	987.6553	NA	PeJP	NA	NA
+PJ118177	ALLLKKFR 	C48H85N13O9	987.6594	NA	PeJP	NA	NA
+PJ118178	VVKKKKKM 	C45H89N13O9S	987.6627	NA	PeJP	NA	NA
+PJ118179	LLLLLLKY 	C51H89N9O10	987.6733	NA	PeJP	NA	NA
+PJ118180	VLLLKKKF 	C50H89N11O9	987.6845	NA	PeJP	NA	NA
+HMDB04841	Galabiosylceramide (d18:1/25:0)	C55H105NO13	987.758606	NA	HMDB2010	NA	NA
+HMDB04876	Lactosylceramide (d18:1/25:0)	C55H105NO13	987.758606	NA	HMDB2010	NA	NA
+HMDB04841	Galabiosylceramide (d18:1/25:0)	C55H105NO13	987.75861	http://www.hmdb.ca/metabolites/HMDB04841	HMDB	NA	NA
+HMDB04876	Lactosylceramide (d18:1/25:0)	C55H105NO13	987.75861	http://www.hmdb.ca/metabolites/HMDB04876	HMDB	NA	NA
+HMDB04841	Galabiosylceramide (d18:1/25:0)	C55H105NO13	987.75861	HMDB04841	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04876	Lactosylceramide (d18:1/25:0)	C55H105NO13	987.75861	HMDB04876	PFEM_hmdb_metabocards_official	NA	NA
+PJ118181	SCCCCCCQH 	C32H52N12O12S6	988.2152	NA	PeJP	NA	NA
+PJ118182	SCCCNDDDD 	C32H48N10O20S3	988.2209	NA	PeJP	NA	NA
+PJ118183	PCCCCCNDE 	C33H52N10O15S5	988.2218	NA	PeJP	NA	NA
+PJ118184	CCCCCEYY 	C38H52N8O13S5	988.2258	NA	PeJP	NA	NA
+PJ118185	GSSSCCCCCH 	C32H52N12O14S5	988.233	NA	PeJP	NA	NA
+PJ118186	GPCCCCCDW 	C37H52N10O12S5	988.237	NA	PeJP	NA	NA
+PJ118187	GCCCNDDEM 	C33H52N10O17S4	988.2395	NA	PeJP	NA	NA
+PJ118188	GPPTCCCCCC 	C34H56N10O12S6	988.2404	NA	PeJP	NA	NA
+PJ118189	GCCCCCNHF 	C36H52N12O11S5	988.2483	NA	PeJP	NA	NA
+MJ099164	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Glucopyranosyl-(1?2)-[4-hydroxycinnamoyl-(?6)]-?-D-glucopyranoside](E-), 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C45H49O25(+)	988.248467	NA	MeJP	NA	NA
+MJ099165	3,4',5,7-Tetrahydroxyflavylium(1+); 3-O-[?-D-Xylopyranosyl-(1?2)-[4-hydroxy-3-methoxycinnamoyl-(?6)]-?-D-glucopyranoside], 5-O-(6-O-malonyl-?-D-glucopyranoside) 	C45H49O25(+)	988.248467	NA	MeJP	NA	NA
+PJ118190	SCCCCNNNE 	C32H52N12O16S4	988.2507	NA	PeJP	NA	NA
+PJ118191	GCCCCDDDR 	C32H52N12O16S4	988.2508	NA	PeJP	NA	NA
+PJ118192	SCCCCCCKH 	C33H56N12O11S6	988.2516	NA	PeJP	NA	NA
+PJ118193	CCCNDDMW 	C37H52N10O14S4	988.2548	NA	PeJP	NA	NA
+PJ118194	SSCCNDDDM 	C33H52N10O19S3	988.2573	NA	PeJP	NA	NA
+PJ118195	SPCCCCNEM 	C34H56N10O14S5	988.2581	NA	PeJP	NA	NA
+PJ118196	GGSPCCCCEM 	C34H56N10O14S5	988.2582	NA	PeJP	NA	NA
+PJ118197	CCCMMMMH 	C35H60N10O9S7	988.259	NA	PeJP	NA	NA
+PJ118198	CDDDDDEY 	C37H48N8O22S	988.2604	NA	PeJP	NA	NA
+PJ118199	TCCCCMYY 	C39H56N8O12S5	988.2622	NA	PeJP	NA	NA
+PJ118200	CDDDEMMM 	C35H56N8O17S4	988.2647	NA	PeJP	NA	NA
+PJ118201	GSCCCCNNW 	C36H52N12O13S4	988.266	NA	PeJP	NA	NA
+PJ118202	GSSSCCCNND 	C32H52N12O18S3	988.2685	NA	PeJP	NA	NA
+PJ118203	SPCCCCCDR 	C33H56N12O13S5	988.2694	NA	PeJP	NA	NA
+PJ118204	GCCCCEWW 	C41H52N10O11S4	988.27	NA	PeJP	NA	NA
+PJ118205	GSSCCCDEW 	C37H52N10O16S3	988.2725	NA	PeJP	NA	NA
+PJ118206	GSPCCCCMW 	C38H56N10O11S5	988.2734	NA	PeJP	NA	NA
+PJ118207	GSSSSCCDDE 	C33H52N10O21S2	988.275	NA	PeJP	NA	NA
+PJ118208	GSCCNDEMM 	C34H56N10O16S4	988.2759	NA	PeJP	NA	NA
+PJ118209	GCCCDYYY 	C42H52N8O14S3	988.2765	NA	PeJP	NA	NA
+PJ118210	GPCCCNMMM 	C35H60N10O11S6	988.2768	NA	PeJP	NA	NA
+PJ118211	CDDDDEMF 	C38H52N8O19S2	988.2791	NA	PeJP	NA	NA
+PJ118212	GCCCCCNQR 	C32H56N14O12S5	988.2806	NA	PeJP	NA	NA
+PJ118213	GCCCNNNDF 	C36H52N12O15S3	988.2838	NA	PeJP	NA	NA
+PJ118214	CCCCWWW 	C45H52N10O8S4	988.2853	NA	PeJP	NA	NA
+PJ118215	GSCCCDDMR 	C33H56N12O15S4	988.2871	NA	PeJP	NA	NA
+PJ118216	GGGGGGSTCCCM 	C33H56N12O15S4	988.2872	NA	PeJP	NA	NA
+PJ118217	SSCCCDWW 	C41H52N10O13S3	988.2878	NA	PeJP	NA	NA
+PJ118218	APCCCCCMR 	C34H60N12O10S6	988.288	NA	PeJP	NA	NA
+PJ118219	DDDDDEEH 	C36H48N10O23	988.2894	NA	PeJP	NA	NA
+PJ118220	SSSSCCDDW 	C37H52N10O18S2	988.2903	NA	PeJP	NA	NA
+PJ118221	SSPTCCCCW 	C38H56N10O13S4	988.2911	NA	PeJP	NA	NA
+PJ118222	SCCNDMMW 	C38H56N10O13S4	988.2912	NA	PeJP	NA	NA
+PJ118223	CCCCHHHF 	C39H52N14O9S4	988.2925	NA	PeJP	NA	NA
+PJ118224	SSSSSSCDDD 	C33H52N10O23S	988.2928	NA	PeJP	NA	NA
+PJ118225	SSSCNDDMM 	C34H56N10O18S3	988.2937	NA	PeJP	NA	NA
+PJ118226	CNNDMMMM 	C35H60N10O13S5	988.2945	NA	PeJP	NA	NA
+PJ118227	GSCCCNEHH 	C35H52N14O14S3	988.295	NA	PeJP	NA	NA
+PJ118228	GCCCMFYY 	C43H56N8O11S4	988.2952	NA	PeJP	NA	NA
+PJ118229	SDDDDEMY 	C38H52N8O21S	988.2968	NA	PeJP	NA	NA
+PJ118230	PCDDDMMY 	C39H56N8O16S3	988.2977	NA	PeJP	NA	NA
+PJ118231	SSCCCCNNR 	C32H56N14O14S4	988.2984	NA	PeJP	NA	NA
+PJ118232	GSNDDDDDH 	C35H48N12O22	988.3007	NA	PeJP	NA	NA
+PJ118233	SDDEMMMM 	C36H60N8O16S4	988.3011	NA	PeJP	NA	NA
+PJ118234	GSCCNNNDY 	C36H52N12O17S2	988.3015	NA	PeJP	NA	NA
+PJ118235	PCDMMMMM 	C37H64N8O11S6	988.3019	NA	PeJP	NA	NA
+PJ118236	SCCCCERW 	C37H56N12O12S4	988.3024	NA	PeJP	NA	NA
+PJ118237	SSSCCCDER 	C33H56N12O17S3	988.3049	NA	PeJP	NA	NA
+PJ118238	GCCNDEYW 	C41H52N10O15S2	988.3055	NA	PeJP	NA	NA
+PJ118239	GGGCCDEYW 	C41H52N10O15S2	988.3056	NA	PeJP	NA	NA
+PJ118240	CCCNEMMR 	C34H60N12O12S5	988.3058	NA	PeJP	NA	NA
+PJ118241	GTCCCMWW 	C42H56N10O10S4	988.3064	NA	PeJP	NA	NA
+PJ118242	GSSCNDDEY 	C37H52N10O20S	988.308	NA	PeJP	NA	NA
+PJ118243	GGGSSCDDEY 	C37H52N10O20S	988.3081	NA	PeJP	NA	NA
+PJ118244	GSSSCCEMW 	C38H56N10O15S3	988.3089	NA	PeJP	NA	NA
+PJ118245	GCCQMMMW 	C39H60N10O10S5	988.3098	NA	PeJP	NA	NA
+PJ118246	SCCCNHHW 	C39H52N14O11S3	988.3103	NA	PeJP	NA	NA
+PJ118247	GSSSSSCDEM 	C34H56N10O20S2	988.3114	NA	PeJP	NA	NA
+PJ118248	PCDDDDFY 	C42H52N8O18S	988.3121	NA	PeJP	NA	NA
+PJ118249	GSSCNEMMM 	C35H60N10O15S4	988.3123	NA	PeJP	NA	NA
+PJ118250	SSSCCNDHH 	C35H52N14O16S2	988.3128	NA	PeJP	NA	NA
+PJ118251	GSCCMYYY 	C43H56N8O13S3	988.3129	NA	PeJP	NA	NA
+PJ118252	APCCCCKMM 	C36H64N10O10S6	988.3132	NA	PeJP	NA	NA
+PJ118253	CCNNMMHH 	C36H56N14O11S4	988.3136	NA	PeJP	NA	NA
+PJ118254	GDDEEMMY 	C39H56N8O18S2	988.3154	NA	PeJP	NA	NA
+PJ118255	PCDDMMMF 	C40H60N8O13S4	988.3163	NA	PeJP	NA	NA
+PJ118256	PCCNDDHW 	C40H52N12O14S2	988.3168	NA	PeJP	NA	NA
+PJ118257	CCCCDMRR 	C33H60N14O11S5	988.317	NA	PeJP	NA	NA
+PJ118258	NNDDDEMH 	C36H52N12O19S	988.3193	NA	PeJP	NA	NA
+PJ118259	GEEMMMMM 	C37H64N8O13S5	988.3197	NA	PeJP	NA	NA
+PJ118260	CCNNNQMY 	C37H56N12O14S3	988.3201	NA	PeJP	NA	NA
+PJ118261	GGGGGGCCQMY 	C37H56N12O14S3	988.3202	NA	PeJP	NA	NA
+PJ118262	CCNDYWW 	C45H52N10O12S2	988.3208	NA	PeJP	NA	NA
+PJ118263	GCCCMMRW 	C38H60N12O9S5	988.321	NA	PeJP	NA	NA
+PJ118264	SSSSSSCCNQ 	C33H56N12O19S2	988.3226	NA	PeJP	NA	NA
+PJ118265	GGGGSSSSSTCC 	C33H56N12O19S2	988.3227	NA	PeJP	NA	NA
+PJ118266	SSCNDDYW 	C41H52N10O17S	988.3233	NA	PeJP	NA	NA
+PJ118267	GSSCCDMMR 	C34H60N12O14S4	988.3235	NA	PeJP	NA	NA
+PJ118268	GCCNNNNNH 	C34H52N16O15S2	988.324	NA	PeJP	NA	NA
+PJ118269	SSSCCMWW 	C42H56N10O12S3	988.3242	NA	PeJP	NA	NA
+PJ118270	CCCCQHHR 	C35H56N16O10S4	988.3249	NA	PeJP	NA	NA
+PJ118271	SSSSNDDDY 	C37H52N10O22	988.3258	NA	PeJP	NA	NA
+PJ118272	SSSSSCDMW 	C38H56N10O17S2	988.3267	NA	PeJP	NA	NA
+PJ118273	SSCNMMMW 	C39H60N10O12S4	988.3275	NA	PeJP	NA	NA
+PJ118274	GGGPVCCCMY 	C39H60N10O12S4	988.3276	NA	PeJP	NA	NA
+PJ118275	CCNNDHHF 	C39H52N14O13S2	988.328	NA	PeJP	NA	NA
+PJ118276	GCCCFFFY 	C47H56N8O10S3	988.3282	NA	PeJP	NA	NA
+PJ118277	SSSSSSSDDM 	C34H56N10O22S	988.3292	NA	PeJP	NA	NA
+PJ118278	SPDDDDYY 	C42H52N8O20	988.3298	NA	PeJP	NA	NA
+PJ118279	SSSSNDMMM 	C35H60N10O17S3	988.33	NA	PeJP	NA	NA
+PJ118280	CNDDDDHR 	C35H52N14O18S	988.3305	NA	PeJP	NA	NA
+PJ118281	DDEMMYW 	C43H56N8O15S2	988.3307	NA	PeJP	NA	NA
+PJ118282	SNNMMMMM 	C36H64N10O12S5	988.3309	NA	PeJP	NA	NA
+PJ118283	CCCNNNRY 	C36H56N14O13S3	988.3314	NA	PeJP	NA	NA
+PJ118284	SSDEEEMY 	C39H56N8O20S	988.3332	NA	PeJP	NA	NA
+PJ118285	SPDDMMMY 	C40H60N8O15S3	988.3341	NA	PeJP	NA	NA
+PJ118286	GNDDDMHW 	C40H52N12O16S	988.3345	NA	PeJP	NA	NA
+PJ118287	GGGDDDMHW 	C40H52N12O16S	988.3346	NA	PeJP	NA	NA
+PJ118288	EMMMMMW 	C41H64N8O10S5	988.3349	NA	PeJP	NA	NA
+PJ118289	GCCCDFRW 	C41H56N12O11S3	988.3354	NA	PeJP	NA	NA
+PJ118290	GSSNDDEEH 	C36H52N12O21	988.337	NA	PeJP	NA	NA
+PJ118291	GGGSSDDEEH 	C36H52N12O21	988.3371	NA	PeJP	NA	NA
+PJ118292	STEEMMMM 	C37H64N8O15S4	988.3374	NA	PeJP	NA	NA
+PJ118293	SCCNDERY 	C37H56N12O16S2	988.3379	NA	PeJP	NA	NA
+PJ118294	SPMMMMMM 	C38H68N8O10S6	988.3383	NA	PeJP	NA	NA
+PJ118295	STCCCMRW 	C38H60N12O11S4	988.3388	NA	PeJP	NA	NA
+PJ118296	SCCEHHHH 	C38H52N16O12S2	988.3393	NA	PeJP	NA	NA
+PJ118297	CCNMFWW 	C46H56N10O9S3	988.3394	NA	PeJP	NA	NA
+PJ118298	GSSSSSSSSCN 	C33H56N12O21S	988.3404	NA	PeJP	NA	NA
+PJ118299	GNNDDEYY 	C41H52N10O19	988.3411	NA	PeJP	NA	NA
+PJ118300	SSSSCCEMR 	C34H60N12O16S3	988.3413	NA	PeJP	NA	NA
+PJ118301	GSCNEMYW 	C42H56N10O14S2	988.3419	NA	PeJP	NA	NA
+PJ118302	SCCQMMMR 	C35H64N12O11S5	988.3421	NA	PeJP	NA	NA
+PJ118303	GGTCCMMMR 	C35H64N12O11S5	988.3422	NA	PeJP	NA	NA
+PJ118304	GSSCCCHHR 	C35H56N16O12S3	988.3426	NA	PeJP	NA	NA
+PJ118305	PCCCCKFW 	C43H60N10O9S4	988.3428	NA	PeJP	NA	NA
+PJ118306	GSSSNDEMY 	C38H56N10O19S	988.3444	NA	PeJP	NA	NA
+PJ118307	GGGPPDDDEM 	C38H56N10O19S	988.3445	NA	PeJP	NA	NA
+PJ118308	DDDEFYW 	C46H52N8O17	988.3451	NA	PeJP	NA	NA
+PJ118309	GSSSTCMMW 	C39H60N10O14S3	988.3453	NA	PeJP	NA	NA
+PJ118310	SCNNNDHW 	C39H52N14O15S	988.3458	NA	PeJP	NA	NA
+PJ118311	CCQFYYY 	C47H56N8O12S2	988.3459	NA	PeJP	NA	NA
+PJ118312	GCCKMMMW 	C40H64N10O9S5	988.3462	NA	PeJP	NA	NA
+PJ118313	GSSSSSSEMM 	C35H60N10O19S2	988.3478	NA	PeJP	NA	NA
+PJ118314	SSSNNNDDH 	C35H52N14O20	988.3483	NA	PeJP	NA	NA
+PJ118315	GPDDEMYY 	C43H56N8O17S	988.3485	NA	PeJP	NA	NA
+PJ118316	GSSSQMMMM 	C36H64N10O14S4	988.3487	NA	PeJP	NA	NA
+PJ118317	SSSSCNMHH 	C36H56N14O15S2	988.3491	NA	PeJP	NA	NA
+PJ118318	GSPCCDDHR 	C36H56N14O15S2	988.3492	NA	PeJP	NA	NA
+PJ118319	DEMMMFW 	C44H60N8O12S3	988.3493	NA	PeJP	NA	NA
+PJ118320	CNDEHWW 	C44H52N12O13S	988.3498	NA	PeJP	NA	NA
+PJ118321	APPCCCCHR 	C37H60N14O10S4	988.35	NA	PeJP	NA	NA
+PJ118322	GTEEEMMY 	C40H60N8O17S2	988.3518	NA	PeJP	NA	NA
+PJ118323	SSNDDEHW 	C40H52N12O18	988.3523	NA	PeJP	NA	NA
+PJ118324	GPEMMMMY 	C41H64N8O12S4	988.3527	NA	PeJP	NA	NA
+PJ118325	GSCCDRYW 	C41H56N12O13S2	988.3532	NA	PeJP	NA	NA
+PJ118326	SCCCMMRR 	C34H64N14O10S5	988.3534	NA	PeJP	NA	NA
+PJ118327	SSSSCNNQY 	C37H56N12O18S	988.3556	NA	PeJP	NA	NA
+PJ118328	GSSSCDDRY 	C37H56N12O18S	988.3557	NA	PeJP	NA	NA
+PJ118329	SVEMMMMM 	C38H68N8O12S5	988.3561	NA	PeJP	NA	NA
+PJ118330	NNDDYYW 	C45H52N10O16	988.3563	NA	PeJP	NA	NA
+PJ118331	GCNDMMRY 	C38H60N12O13S3	988.3565	NA	PeJP	NA	NA
+PJ118332	GGGGGGCCKMY 	C38H60N12O13S3	988.3566	NA	PeJP	NA	NA
+PJ118333	SCNMYWW 	C46H56N10O11S2	988.3572	NA	PeJP	NA	NA
+PJ118334	GCMMHHHH 	C39H56N16O9S3	988.3579	NA	PeJP	NA	NA
+PJ118335	SSSSSSCCNK 	C34H60N12O18S2	988.359	NA	PeJP	NA	NA
+PJ118336	GNNNNNNND 	C34H52N16O19	988.3595	NA	PeJP	NA	NA
+PJ118337	GGGGGGGGGGGGGGGD 	C34H52N16O19	988.3596	NA	PeJP	NA	NA
+PJ118338	SSSNDMYW 	C42H56N10O16S	988.3597	NA	PeJP	NA	NA
+PJ118339	GSSSCMMMR 	C35H64N12O13S4	988.3599	NA	PeJP	NA	NA
+PJ118340	CCNNNEHR 	C35H56N16O14S2	988.3604	NA	PeJP	NA	NA
+PJ118341	NNMMMYW 	C43H60N10O11S3	988.3605	NA	PeJP	NA	NA
+PJ118342	GGGGMMMYW 	C43H60N10O11S3	988.3606	NA	PeJP	NA	NA
+PJ118343	CCCCKHHR 	C36H60N16O9S4	988.3613	NA	PeJP	NA	NA
+PJ118344	SSSSSNEEY 	C38H56N10O21	988.3622	NA	PeJP	NA	NA
+PJ118345	SSSSSSMMW 	C39H60N10O16S2	988.363	NA	PeJP	NA	NA
+PJ118346	GGSSQEMMY 	C39H60N10O16S2	988.3631	NA	PeJP	NA	NA
+PJ118347	NNNNDDHF 	C39H52N14O17	988.3635	NA	PeJP	NA	NA
+PJ118348	GGGGGGNDDHF 	C39H52N14O17	988.3636	NA	PeJP	NA	NA
+PJ118349	PDDMYYW 	C47H56N8O14S	988.3637	NA	PeJP	NA	NA
+PJ118350	STCCKMMW 	C40H64N10O11S4	988.3639	NA	PeJP	NA	NA
+PJ118351	GCNNQMHW 	C40H56N14O12S2	988.3644	NA	PeJP	NA	NA
+PJ118352	GCDHWWW 	C48H52N12O10S	988.365	NA	PeJP	NA	NA
+PJ118353	SSSSSSSTEM 	C35H60N10O21S	988.3655	NA	PeJP	NA	NA
+PJ118354	QEEEEYY 	C43H56N8O19	988.3662	NA	PeJP	NA	NA
+PJ118355	SSSSTQMMM 	C36H64N10O16S3	988.3664	NA	PeJP	NA	NA
+PJ118356	SNDDDMHR 	C36H56N14O17S	988.3669	NA	PeJP	NA	NA
+PJ118357	TEEMMYW 	C44H60N8O14S2	988.3671	NA	PeJP	NA	NA
+PJ118358	SCQKMMMM 	C37H68N10O11S5	988.3673	NA	PeJP	NA	NA
+PJ118359	GSSDDHWW 	C44H52N12O15	988.3676	NA	PeJP	NA	NA
+PJ118360	GCCCERRY 	C37H60N14O12S3	988.3678	NA	PeJP	NA	NA
+PJ118361	PMMMMYW 	C45H64N8O9S4	988.3679	NA	PeJP	NA	NA
+PJ118362	CNNNNHHH 	C37H52N18O13S	988.3682	NA	PeJP	NA	NA
+PJ118363	GGGGGGCNHHH 	C37H52N18O13S	988.3683	NA	PeJP	NA	NA
+PJ118364	GPTCCHWW 	C45H56N12O10S2	988.3684	NA	PeJP	NA	NA
+PJ118365	STTEEEMY 	C40H60N8O19S	988.3696	NA	PeJP	NA	NA
+PJ118366	GVEEMMMY 	C41H64N8O14S3	988.3704	NA	PeJP	NA	NA
+PJ118367	AVDEMMMY 	C41H64N8O14S3	988.3705	NA	PeJP	NA	NA
+PJ118368	GSNEEMHW 	C41H56N12O15S	988.3709	NA	PeJP	NA	NA
+PJ118369	APMMMMMF 	C42H68N8O9S5	988.3713	NA	PeJP	NA	NA
+PJ118370	CCQMRYW 	C42H60N12O10S3	988.3718	NA	PeJP	NA	NA
+PJ118371	GCDHHHHF 	C42H52N16O11S	988.3723	NA	PeJP	NA	NA
+PJ118372	CCHFFFW 	C50H56N10O8S2	988.3724	NA	PeJP	NA	NA
+PJ118373	GSSSSSSNNY 	C37H56N12O20	988.3734	NA	PeJP	NA	NA
+PJ118374	GGGGGGGSPEEE 	C37H56N12O20	988.3735	NA	PeJP	NA	NA
+PJ118375	SSCNEMRY 	C38H60N12O15S2	988.3743	NA	PeJP	NA	NA
+PJ118376	ALMMMMMM 	C39H72N8O9S6	988.3747	NA	PeJP	NA	NA
+PJ118377	SNNDEHHH 	C38H52N16O16	988.3748	NA	PeJP	NA	NA
+PJ118378	GSSTCYWW 	C46H56N10O13S	988.3749	NA	PeJP	NA	NA
+PJ118379	APPCDDWW 	C46H56N10O13S	988.375	NA	PeJP	NA	NA
+PJ118380	GCNMMMFR 	C39H64N12O10S4	988.3752	NA	PeJP	NA	NA
+PJ118381	GCCNNHRW 	C39H56N16O11S2	988.3756	NA	PeJP	NA	NA
+PJ118382	GGGGGCCHRW 	C39H56N16O11S2	988.3757	NA	PeJP	NA	NA
+PJ118383	GSSSSSEYW 	C42H56N10O18	988.3774	NA	PeJP	NA	NA
+PJ118384	GPNEEEEW 	C42H56N10O18	988.3775	NA	PeJP	NA	NA
+PJ118385	SSSSTCMMR 	C35H64N12O15S3	988.3777	NA	PeJP	NA	NA
+PJ118386	GSSCNNDHR 	C35H56N16O16S	988.3781	NA	PeJP	NA	NA
+PJ118387	GGGGGSSCDHR 	C35H56N16O16S	988.3782	NA	PeJP	NA	NA
+PJ118388	GSSQMMYW 	C43H60N10O13S2	988.3783	NA	PeJP	NA	NA
+PJ118389	SCCKMMMR 	C36H68N12O10S5	988.3785	NA	PeJP	NA	NA
+PJ118390	DEEHHHW 	C43H52N14O14	988.3788	NA	PeJP	NA	NA
+PJ118391	PCCCDHRR 	C36H60N16O11S3	988.379	NA	PeJP	NA	NA
+PJ118392	GSSSTQEMY 	C39H60N10O18S	988.3808	NA	PeJP	NA	NA
+PJ118393	GSSSYYYY 	C47H56N8O16	988.3814	NA	PeJP	NA	NA
+PJ118394	AEEEYYW 	C47H56N8O16	988.3815	NA	PeJP	NA	NA
+PJ118395	EEMMMRY 	C40H64N10O13S3	988.3817	NA	PeJP	NA	NA
+PJ118396	SSNNNMHW 	C40H56N14O14S	988.3821	NA	PeJP	NA	NA
+PJ118397	GSCDEHRW 	C40H56N14O14S	988.3822	NA	PeJP	NA	NA
+PJ118398	PDMMFYW 	C48H60N8O11S2	988.3823	NA	PeJP	NA	NA
+PJ118399	CCCRRYW 	C41H60N14O9S3	988.383	NA	PeJP	NA	NA
+PJ118400	GSSSSTTTMM 	C36H64N10O18S2	988.3842	NA	PeJP	NA	NA
+PJ118401	SSSSSSSSHH 	C36H56N14O19	988.3846	NA	PeJP	NA	NA
+PJ118402	GSSSDDEHR 	C36H56N14O19	988.3847	NA	PeJP	NA	NA
+PJ118403	GPTEEMYY 	C44H60N8O16S	988.3848	NA	PeJP	NA	NA
+PJ118404	ASSTCKMMM 	C37H68N10O13S4	988.385	NA	PeJP	NA	NA
+PJ118405	GSSSKMMMM 	C37H68N10O13S4	988.3851	NA	PeJP	NA	NA
+PJ118406	SSCCDRRY 	C37H60N14O14S2	988.3855	NA	PeJP	NA	NA
+PJ118407	GGGGGPPCCER 	C37H60N14O14S2	988.3856	NA	PeJP	NA	NA
+PJ118408	VEMMMYW 	C45H64N8O11S3	988.3857	NA	PeJP	NA	NA
+PJ118409	SNEMHWW 	C45H56N12O12S	988.3862	NA	PeJP	NA	NA
+PJ118410	ACCCMFRR 	C38H64N14O9S4	988.3864	NA	PeJP	NA	NA
+PJ118411	PLDEEEEE 	C40H60N8O21	988.3873	NA	PeJP	NA	NA
+PJ118412	PVEEEEEE 	C40H60N8O21	988.3874	NA	PeJP	NA	NA
+PJ118413	SSLEEMMY 	C41H64N8O16S2	988.3882	NA	PeJP	NA	NA
+PJ118414	GPDDDERW 	C41H56N12O17	988.3887	NA	PeJP	NA	NA
+PJ118415	SPVMMMMY 	C42H68N8O11S4	988.3891	NA	PeJP	NA	NA
+PJ118416	GSSCMRYW 	C42H60N12O12S2	988.3895	NA	PeJP	NA	NA
+PJ118417	AANEMMHW 	C42H60N12O12S2	988.3896	NA	PeJP	NA	NA
+PJ118418	GSNDHHHW 	C42H52N16O13	988.39	NA	PeJP	NA	NA
+PJ118419	PPCDWWW 	C50H56N10O10S	988.3902	NA	PeJP	NA	NA
+PJ118420	GSSSSDMRY 	C38H60N12O17S	988.392	NA	PeJP	NA	NA
+PJ118421	GGGGSSSSCKY 	C38H60N12O17S	988.3921	NA	PeJP	NA	NA
+PJ118422	TTLMMMMM 	C39H72N8O11S5	988.3924	NA	PeJP	NA	NA
+PJ118423	SSSSSYWW 	C46H56N10O15	988.3927	NA	PeJP	NA	NA
+PJ118424	GSNMMMRY 	C39H64N12O12S3	988.3929	NA	PeJP	NA	NA
+PJ118425	GNQEMHHH 	C39H56N16O13S	988.3934	NA	PeJP	NA	NA
+PJ118426	TCCKYWW 	C47H60N10O10S2	988.3936	NA	PeJP	NA	NA
+PJ118427	NNNNNDER 	C35H56N16O18	988.3959	NA	PeJP	NA	NA
+PJ118428	SSSTQMYW 	C43H60N10O15S	988.3961	NA	PeJP	NA	NA
+PJ118429	SSCCCCKKK 	C36H68N12O12S4	988.3963	NA	PeJP	NA	NA
+PJ118430	PDDFFYW 	C51H56N8O13	988.3967	NA	PeJP	NA	NA
+PJ118431	GCDDMHRR 	C36H60N16O13S2	988.3968	NA	PeJP	NA	NA
+PJ118432	CQKMMYW 	C44H64N10O10S3	988.3969	NA	PeJP	NA	NA
+PJ118433	GAPPPCMMW 	C44H64N10O10S3	988.397	NA	PeJP	NA	NA
+PJ118434	SCDHRWW 	C44H56N14O11S	988.3974	NA	PeJP	NA	NA
+PJ118435	SSSSTTQEY 	C39H60N10O20	988.3985	NA	PeJP	NA	NA
+PJ118436	SSSSSDKEY 	C39H60N10O20	988.3986	NA	PeJP	NA	NA
+PJ118437	SSNKEMMY 	C40H64N10O15S2	988.3994	NA	PeJP	NA	NA
+PJ118438	ALEEEMMH 	C40H64N10O15S2	988.3995	NA	PeJP	NA	NA
+PJ118439	SSSDDHRW 	C40H56N14O16	988.3999	NA	PeJP	NA	NA
+PJ118440	GGGGGGGGGAAEW 	C40H56N14O16	988.4	NA	PeJP	NA	NA
+PJ118441	PTEMYYW 	C48H60N8O13S	988.4001	NA	PeJP	NA	NA
+PJ118442	GNKMMMMF 	C41H68N10O10S4	988.4003	NA	PeJP	NA	NA
+PJ118443	NDMMHRW 	C41H60N14O11S2	988.4008	NA	PeJP	NA	NA
+PJ118444	PMMMFFW 	C49H64N8O8S3	988.401	NA	PeJP	NA	NA
+PJ118445	GSMHWWW 	C49H56N12O9S	988.4014	NA	PeJP	NA	NA
+PJ118446	SSSSSTTTTM 	C36H64N10O20S	988.4019	NA	PeJP	NA	NA
+PJ118447	KEEEEYY 	C44H60N8O18	988.4026	NA	PeJP	NA	NA
+PJ118448	SSSSTKMMM 	C37H68N10O15S3	988.4028	NA	PeJP	NA	NA
+PJ118449	SSNEEMHR 	C37H60N14O16S	988.4033	NA	PeJP	NA	NA
+PJ118450	GPVEMMYY 	C45H64N8O13S2	988.4035	NA	PeJP	NA	NA
+PJ118451	SCKKMMMM 	C38H72N10O10S5	988.4037	NA	PeJP	NA	NA
+PJ118452	PDDDRWW 	C45H56N12O14	988.4039	NA	PeJP	NA	NA
+PJ118453	GGGGGSPEWW 	C45H56N12O14	988.404	NA	PeJP	NA	NA
+PJ118454	GTCCMRRY 	C38H64N14O11S3	988.4041	NA	PeJP	NA	NA
+PJ118455	ASCCMRRY 	C38H64N14O11S3	988.4042	NA	PeJP	NA	NA
+PJ118456	LMMMMFW 	C46H68N8O8S4	988.4043	NA	PeJP	NA	NA
+PJ118457	GCNEHHHR 	C38H56N18O12S	988.4046	NA	PeJP	NA	NA
+PJ118458	AQMMHWW 	C46H60N12O9S2	988.4048	NA	PeJP	NA	NA
+PJ118459	ATLEMMMY 	C42H68N8O13S3	988.4068	NA	PeJP	NA	NA
+PJ118460	SSSTCRYW 	C42H60N12O14S	988.4073	NA	PeJP	NA	NA
+PJ118461	GSQYYWW 	C50H56N10O12	988.4079	NA	PeJP	NA	NA
+PJ118462	GPEEWWW 	C50H56N10O12	988.408	NA	PeJP	NA	NA
+PJ118463	CCKMRYW 	C43H64N12O9S3	988.4082	NA	PeJP	NA	NA
+PJ118464	NQMHHHW 	C43H56N16O10S	988.4086	NA	PeJP	NA	NA
+PJ118465	GGQMHHHW 	C43H56N16O10S	988.4087	NA	PeJP	NA	NA
+PJ118466	SSSSSSERY 	C38H60N12O19	988.4098	NA	PeJP	NA	NA
+PJ118467	SSSQMMRY 	C39H64N12O14S2	988.4107	NA	PeJP	NA	NA
+PJ118468	GNNNNDRW 	C39H56N16O15	988.4111	NA	PeJP	NA	NA
+PJ118469	GGGNNNDRW 	C39H56N16O15	988.4112	NA	PeJP	NA	NA
+PJ118470	GSPPEMWW 	C47H60N10O12S	988.4113	NA	PeJP	NA	NA
+PJ118471	ACCKMMFR 	C40H68N12O9S4	988.4116	NA	PeJP	NA	NA
+PJ118472	CCEHRRW 	C40H60N16O10S2	988.412	NA	PeJP	NA	NA
+PJ118473	GNNHHHHH 	C40H52N20O11	988.4125	NA	PeJP	NA	NA
+PJ118474	GSSSTTTYW 	C43H60N10O17	988.4138	NA	PeJP	NA	NA
+PJ118475	GGGAPPEEEF 	C43H60N10O17	988.4139	NA	PeJP	NA	NA
+PJ118476	SSCDEHRR 	C36H60N16O15S	988.4145	NA	PeJP	NA	NA
+PJ118477	GGGGGGGGGPTCR 	C36H60N16O15S	988.4146	NA	PeJP	NA	NA
+PJ118478	GSSKMMYW 	C44H64N10O12S2	988.4147	NA	PeJP	NA	NA
+PJ118479	NNNQQWW 	C44H56N14O13	988.4152	NA	PeJP	NA	NA
+PJ118480	PDMFFFW 	C52H60N8O10S	988.4154	NA	PeJP	NA	NA
+PJ118481	ACMHRWW 	C45H60N14O8S2	988.416	NA	PeJP	NA	NA
+PJ118482	GSSSTKEMY 	C40H64N10O17S	988.4172	NA	PeJP	NA	NA
+PJ118483	SLEEYYW 	C48H60N8O15	988.4178	NA	PeJP	NA	NA
+MJ099166	Phenylalanyltyrosylglutamylglycylaspartylvalylprolyltyrosine 	C48H60N8O15	988.417813	NA	MeJP	NA	NA
+PJ118484	AAPEEFYY 	C48H60N8O15	988.4179	NA	PeJP	NA	NA
+PJ118485	GTQKMMMY 	C41H68N10O12S3	988.4181	NA	PeJP	NA	NA
+PJ118486	GSSEMHRW 	C41H60N14O13S	988.4185	NA	PeJP	NA	NA
+PJ118487	GGGPNDMRW 	C41H60N14O13S	988.4186	NA	PeJP	NA	NA
+PJ118488	PVMMYYW 	C49H64N8O10S2	988.4187	NA	PeJP	NA	NA
+PJ118489	SSTHWWW 	C49H56N12O11	988.4192	NA	PeJP	NA	NA
+PJ118490	MMMHHFR 	C42H64N14O8S3	988.4194	NA	PeJP	NA	NA
+PJ118491	CNHHHRW 	C42H56N18O9S	988.4199	NA	PeJP	NA	NA
+PJ118492	GSSSTEEHR 	C37H60N14O18	988.421	NA	PeJP	NA	NA
+PJ118493	SPDDDERR 	C37H60N14O18	988.4211	NA	PeJP	NA	NA
+PJ118494	AALEEMYY 	C45H64N8O15S	988.4212	NA	PeJP	NA	NA
+PJ118495	SSSCMRRY 	C38H64N14O13S2	988.4219	NA	PeJP	NA	NA
+PJ118496	GPLMMMFY 	C46H68N8O10S3	988.4221	NA	PeJP	NA	NA
+PJ118497	SSNDHHHR 	C38H56N18O14	988.4224	NA	PeJP	NA	NA
+PJ118498	ACQRYYW 	C46H60N12O11S	988.4225	NA	PeJP	NA	NA
+PJ118499	SDKMHWW 	C46H60N12O11S	988.4226	NA	PeJP	NA	NA
+PJ118500	PEWWWW 	C54H56N10O9	988.4232	NA	PeJP	NA	NA
+PJ118501	TTTLEMMY 	C42H68N8O15S2	988.4246	NA	PeJP	NA	NA
+PJ118502	SSNNNKYY 	C42H60N12O16	988.425	NA	PeJP	NA	NA
+PJ118503	GSPEEERW 	C42H60N12O16	988.4251	NA	PeJP	NA	NA
+PJ118504	GLLMMMMY 	C43H72N8O10S4	988.4255	NA	PeJP	NA	NA
+PJ118505	GPPDMMRW 	C43H64N12O11S2	988.4259	NA	PeJP	NA	NA
+PJ118506	GGGGPPCKMW 	C43H64N12O11S2	988.426	NA	PeJP	NA	NA
+PJ118507	GSTQHHHW 	C43H56N16O12	988.4264	NA	PeJP	NA	NA
+PJ118508	SPPMWWW 	C51H60N10O9S	988.4266	NA	PeJP	NA	NA
+PJ118509	GSSSTTMRY 	C39H64N12O16S	988.4284	NA	PeJP	NA	NA
+PJ118510	GAAPEEEMR 	C39H64N12O16S	988.4285	NA	PeJP	NA	NA
+PJ118511	PDKEEWW 	C47H60N10O14	988.4291	NA	PeJP	NA	NA
+PJ118512	GTCKMMRY 	C40H68N12O11S3	988.4293	NA	PeJP	NA	NA
+PJ118513	GNNNMHFR 	C40H60N16O12S	988.4298	NA	PeJP	NA	NA
+PJ118514	AAPPMMWW 	C48H64N10O9S2	988.43	NA	PeJP	NA	NA
+PJ118515	PEHHHFW 	C48H56N14O10	988.4304	NA	PeJP	NA	NA
+PJ118516	GNNDEERR 	C36H60N16O17	988.4323	NA	PeJP	NA	NA
+PJ118517	SSSTKMYW 	C44H64N10O14S	988.4324	NA	PeJP	NA	NA
+PJ118518	GPLQEEMW 	C44H64N10O14S	988.4325	NA	PeJP	NA	NA
+PJ118519	PPTYYYW 	C52H60N8O12	988.4331	NA	PeJP	NA	NA
+PJ118520	GSDMMHRR 	C37H64N16O12S2	988.4332	NA	PeJP	NA	NA
+PJ118521	CKKMMYW 	C45H68N10O9S3	988.4333	NA	PeJP	NA	NA
+PJ118522	SSMHRWW 	C45H60N14O10S	988.4338	NA	PeJP	NA	NA
+PJ118523	QHFWWW 	C53H56N12O8	988.4344	NA	PeJP	NA	NA
+PJ118524	GAHFWWW 	C53H56N12O8	988.4345	NA	PeJP	NA	NA
+PJ118525	SSSSTTKEY 	C40H64N10O19	988.4349	NA	PeJP	NA	NA
+PJ118526	PTQKEEEE 	C40H64N10O19	988.435	NA	PeJP	NA	NA
+PJ118527	SSDKKMMY 	C41H68N10O14S2	988.4358	NA	PeJP	NA	NA
+PJ118528	SSSTEHRW 	C41H60N14O15	988.4363	NA	PeJP	NA	NA
+PJ118529	VVEMYYW 	C49H64N8O12S	988.4365	NA	PeJP	NA	NA
+PJ118530	ACKKMMMF 	C42H72N10O9S4	988.4367	NA	PeJP	NA	NA
+PJ118531	TQMMHRW 	C42H64N14O10S2	988.4372	NA	PeJP	NA	NA
+PJ118532	SPTHHHHH 	C42H56N18O11	988.4376	NA	PeJP	NA	NA
+PJ118533	GVEHHHHH 	C42H56N18O11	988.4377	NA	PeJP	NA	NA
+PJ118534	CLHHFFW 	C50H60N12O8S	988.4378	NA	PeJP	NA	NA
+PJ118535	ATTLEEYY 	C45H64N8O17	988.439	NA	PeJP	NA	NA
+PJ118536	GPDEEMRR 	C38H64N14O15S	988.4397	NA	PeJP	NA	NA
+PJ118537	APTLMMYY 	C46H68N8O12S2	988.4398	NA	PeJP	NA	NA
+PJ118538	GVLEMMFY 	C46H68N8O12S2	988.4399	NA	PeJP	NA	NA
+PJ118539	SPEERWW 	C46H60N12O13	988.4403	NA	PeJP	NA	NA
+PJ118540	GVQMMMHR 	C39H68N14O10S3	988.4405	NA	PeJP	NA	NA
+PJ118541	GGGLMMMHR 	C39H68N14O10S3	988.4406	NA	PeJP	NA	NA
+PJ118542	GSQMHHHR 	C39H60N18O11S	988.441	NA	PeJP	NA	NA
+PJ118543	AKMMHWW 	C47H64N12O8S2	988.4412	NA	PeJP	NA	NA
+PJ118544	QHHHHFF 	C47H56N16O9	988.4417	NA	PeJP	NA	NA
+PJ118545	PLLEEEEM 	C42H68N8O17S	988.4424	NA	PeJP	NA	NA
+PJ118546	STLLMMMY 	C43H72N8O12S3	988.4432	NA	PeJP	NA	NA
+PJ118547	SNNNNDRR 	C35H60N18O16	988.4435	NA	PeJP	NA	NA
+PJ118548	AAPEEMRW 	C43H64N12O13S	988.4437	NA	PeJP	NA	NA
+PJ118549	SPVEWWW 	C51H60N10O11	988.4443	NA	PeJP	NA	NA
+PJ118550	GAPPEFWW 	C51H60N10O11	988.4444	NA	PeJP	NA	NA
+PJ118551	GPPCHHRW 	C44H60N16O9S	988.445	NA	PeJP	NA	NA
+PJ118552	SSSSTTTRY 	C39H64N12O18	988.4462	NA	PeJP	NA	NA
+PJ118553	SSSKMMRY 	C40H68N12O13S2	988.447	NA	PeJP	NA	NA
+PJ118554	STTCKMRY 	C40H68N12O13S2	988.4471	NA	PeJP	NA	NA
+PJ118555	NNDERRW 	C40H60N16O14	988.4475	NA	PeJP	NA	NA
+PJ118556	GGGGDERRW 	C40H60N16O14	988.4476	NA	PeJP	NA	NA
+PJ118557	PLQEMWW 	C48H64N10O11S	988.4477	NA	PeJP	NA	NA
+PJ118558	TCMHRRW 	C41H64N16O9S2	988.4484	NA	PeJP	NA	NA
+PJ118559	EHHHHHR 	C41H56N20O10	988.4489	NA	PeJP	NA	NA
+PJ118560	APTKEEEW 	C44H64N10O16	988.4502	NA	PeJP	NA	NA
+PJ118561	SSSEMHRR 	C37H64N16O14S	988.4509	NA	PeJP	NA	NA
+PJ118562	APPKEMMW 	C45H68N10O11S2	988.4511	NA	PeJP	NA	NA
+PJ118563	ANQERWW 	C45H60N14O12	988.4515	NA	PeJP	NA	NA
+MJ099167	2,3,23-Trihydroxy-11-oxo-12-oleanene-28,30-dioic acid, 28-O-?-D-Glucopyranoside, 3-O-[?-D-glucopyranosyl(1?4)-?-D-xylopyranoside] 	C47H72O22	988.451523	NA	MeJP	NA	NA
+PJ118564	GQQERWW 	C45H60N14O12	988.4516	NA	PeJP	NA	NA
+PJ118565	PVMFFYW 	C53H64N8O9S	988.4517	NA	PeJP	NA	NA
+PJ118566	QMMMHRR 	C38H68N16O9S3	988.4518	NA	PeJP	NA	NA
+PJ118567	GSCHHHRR 	C38H60N20O10S	988.4523	NA	PeJP	NA	NA
+PJ118568	VHHHHHW 	C46H56N18O8	988.4529	NA	PeJP	NA	NA
+PJ118569	SSSSSLKMY 	C41H68N10O16S	988.4536	NA	PeJP	NA	NA
+PJ118570	AAPLEYYY 	C49H64N8O14	988.4542	NA	PeJP	NA	NA
+PJ118571	ASKKMMMY 	C42H72N10O11S3	988.4544	NA	PeJP	NA	NA
+PJ118572	GTKKMMMY 	C42H72N10O11S3	988.4545	NA	PeJP	NA	NA
+PJ118573	PDEMRRW 	C42H64N14O12S	988.4549	NA	PeJP	NA	NA
+PJ118574	GGGGGGPPMFR 	C42H64N14O12S	988.455	NA	PeJP	NA	NA
+PJ118575	VLMMFYW 	C50H68N8O9S2	988.4551	NA	PeJP	NA	NA
+PJ118576	GVQQWWW 	C50H60N12O10	988.4556	NA	PeJP	NA	NA
+PJ118577	AAEEEERR 	C38H64N14O17	988.4574	NA	PeJP	NA	NA
+PJ118578	GGGGAKEEER 	C38H64N14O17	988.4575	NA	PeJP	NA	NA
+PJ118579	GTLLEMYY 	C46H68N8O14S	988.4576	NA	PeJP	NA	NA
+PJ118580	SPPDMMRR 	C39H68N14O12S2	988.4583	NA	PeJP	NA	NA
+PJ118581	GLLMMMFF 	C47H72N8O9S3	988.4585	NA	PeJP	NA	NA
+PJ118582	GPDDHHRR 	C39H60N18O13	988.4588	NA	PeJP	NA	NA
+PJ118583	TTKMHWW 	C47H64N12O10S	988.4589	NA	PeJP	NA	NA
+PJ118584	PVDMRWW 	C47H64N12O10S	988.459	NA	PeJP	NA	NA
+PJ118585	APPFWWW 	C55H60N10O8	988.4596	NA	PeJP	NA	NA
+PJ118586	VLLEEEEE 	C42H68N8O19	988.4601	NA	PeJP	NA	NA
+PJ118587	LQEEERW 	C43H64N12O15	988.4614	NA	PeJP	NA	NA
+PJ118588	GALEEERW 	C43H64N12O15	988.4615	NA	PeJP	NA	NA
+PJ118589	GNNNQMRR 	C36H64N18O13S	988.4621	NA	PeJP	NA	NA
+PJ118590	GGGGGNQMRR 	C36H64N18O13S	988.4622	NA	PeJP	NA	NA
+PJ118591	APPTMMRW 	C44H68N12O10S2	988.4623	NA	PeJP	NA	NA
+PJ118592	GNDRRWW 	C44H60N16O11	988.4628	NA	PeJP	NA	NA
+PJ118593	APLMWWW 	C52H64N10O8S	988.463	NA	PeJP	NA	NA
+PJ118594	APKEEEMR 	C40H68N12O15S	988.4648	NA	PeJP	NA	NA
+PJ118595	GGGGGGAALLEM 	C40H68N12O15S	988.4649	NA	PeJP	NA	NA
+PJ118596	VLQEEWW 	C48H64N10O13	988.4655	NA	PeJP	NA	NA
+PJ118597	PPVQMMMR 	C41H72N12O10S3	988.4657	NA	PeJP	NA	NA
+PJ118598	GSPCQRRW 	C41H64N16O11S	988.4662	NA	PeJP	NA	NA
+PJ118599	CKKMFFW 	C49H68N10O8S2	988.4663	NA	PeJP	NA	NA
+PJ118600	QQRWWW 	C49H60N14O9	988.4668	NA	PeJP	NA	NA
+PJ118601	SSQQQQQR 	C37H64N16O16	988.4686	NA	PeJP	NA	NA
+PJ118602	DEEERRR 	C37H64N16O16	988.4687	NA	PeJP	NA	NA
+PJ118603	APVKEEMW 	C45H68N10O13S	988.4688	NA	PeJP	NA	NA
+PJ118604	GPLKEEMW 	C45H68N10O13S	988.4689	NA	PeJP	NA	NA
+PJ118605	PVVYYYW 	C53H64N8O11	988.4695	NA	PeJP	NA	NA
+PJ118606	GGGGAPMMRR 	C38H68N16O11S2	988.4696	NA	PeJP	NA	NA
+PJ118607	PCNKRWW 	C46H64N14O9S	988.4702	NA	PeJP	NA	NA
+PJ118608	KHFWWW 	C54H60N12O7	988.4708	NA	PeJP	NA	NA
+PJ118609	SSTTTTTKY 	C41H68N10O18	988.4713	NA	PeJP	NA	NA
+PJ118610	PTKKEEEE 	C41H68N10O18	988.4714	NA	PeJP	NA	NA
+PJ118611	STTKKMMY 	C42H72N10O13S2	988.4722	NA	PeJP	NA	NA
+PJ118612	VDEERRW 	C42H64N14O14	988.4727	NA	PeJP	NA	NA
+PJ118613	TLLMYYW 	C50H68N8O11S	988.4729	NA	PeJP	NA	NA
+PJ118614	GCNNNRRR 	C35H64N20O12S	988.4734	NA	PeJP	NA	NA
+PJ118615	TKMMHRW 	C43H68N14O9S2	988.4736	NA	PeJP	NA	NA
+PJ118616	QQHHHFR 	C43H60N18O10	988.474	NA	PeJP	NA	NA
+PJ118617	STTLLEYY 	C46H68N8O16	988.4754	NA	PeJP	NA	NA
+PJ118618	STTKEMHR 	C39H68N14O14S	988.476	NA	PeJP	NA	NA
+PJ118619	APTEEMRR 	C39H68N14O14S	988.4761	NA	PeJP	NA	NA
+PJ118620	GVLLMMYY 	C47H72N8O11S2	988.4762	NA	PeJP	NA	NA
+PJ118621	ALEERWW 	C47H64N12O12	988.4767	NA	PeJP	NA	NA
+PJ118622	APPMMMRR 	C40H72N14O9S3	988.4769	NA	PeJP	NA	NA
+PJ118623	CDHFRRR 	C40H64N18O10S	988.4774	NA	PeJP	NA	NA
+PJ118624	APHHRWW 	C48H60N16O8	988.4781	NA	PeJP	NA	NA
+PJ118625	GSNDERRR 	C36H64N18O15	988.4799	NA	PeJP	NA	NA
+PJ118626	GPTLEMRW 	C44H68N12O12S	988.4801	NA	PeJP	NA	NA
+PJ118627	GLLEWWW 	C52H64N10O10	988.4807	NA	PeJP	NA	NA
+PJ118628	GPCNMRRR 	C37H68N18O10S2	988.4808	NA	PeJP	NA	NA
+PJ118629	GMHFRRW 	C45H64N16O8S	988.4814	NA	PeJP	NA	NA
+PJ118630	GLKEEEER 	C40H68N12O17	988.4826	NA	PeJP	NA	NA
+PJ118631	SSPPVCLMR 	C41H72N12O12S2	988.4834	NA	PeJP	NA	NA
+PJ118632	PPTKEMMR 	C41H72N12O12S2	988.4835	NA	PeJP	NA	NA
+PJ118633	SQQERRW 	C41H64N16O13	988.4839	NA	PeJP	NA	NA
+PJ118634	GGGGGGGALLHH 	C41H64N16O13	988.484	NA	PeJP	NA	NA
+PJ118635	PLKEMWW 	C49H68N10O10S	988.4841	NA	PeJP	NA	NA
+PJ118636	PVFFFFW 	C57H64N8O8	988.4848	NA	PeJP	NA	NA
+PJ118637	GVLKEEEW 	C45H68N10O15	988.4866	NA	PeJP	NA	NA
+PJ118638	STTTMHRR 	C38H68N16O13S	988.4873	NA	PeJP	NA	NA
+PJ118639	SPPLKMMW 	C46H72N10O10S2	988.4875	NA	PeJP	NA	NA
+C08959	Medicagenic acid 3-O-triglucoside	C48H76O21	988.4879	NA	KEGG	NA	NA
+PJ118640	GQKERWW 	C46H64N14O11	988.4879	NA	PeJP	NA	NA
+MJ099168	1,3,22-Trihydroxyergosta-5,24-dien-26-oic acid, 3-O-?-D-Glucopyranoside, 26-O-[?-D-glucopyranosyl-(1?2)-6-acetyl-?-D-glucopyranosyl] ester 	C48H76O21	988.487909	NA	MeJP	NA	NA
+MJ099169	2,3,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-[?-D-Galactopyranosyl-(1?4)-?-D-glucuronopyranoside], 28-O-?-D-glucopyranosyl ester 	C48H76O21	988.487909	NA	MeJP	NA	NA
+MJ099170	2,3,23-Trihydroxy-12-oleanene-28,30-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?4)-?-D-xylopyranoside], 28-?-D-glucopyranosyl ester, 30-Me ester 	C48H76O21	988.487909	NA	MeJP	NA	NA
+MJ099171	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-?-D-Glucopyranoside, 28-O-[?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C48H76O21	988.487909	NA	MeJP	NA	NA
+MJ099172	2,3-Dihydroxy-12-oleanene-23,28-dioic acid, 3-O-[?-D-Glucopyranosyl-(1?6)-?-D-glucopyranosyl-(1?3)-?-D-glucopyranoside] 	C48H76O21	988.487909	NA	MeJP	NA	NA
+MJ099173	3,21,22,24-Tetrahydroxy-12-oleanen-29-oic acid, 3-O-[?-L-Rhamnopyranosyl-(1?2)-?-D-galactopyranosyl-(1?2)-?-D-glucuronopyranoside] 	C48H76O21	988.487909	NA	MeJP	NA	NA
+MJ099174	3,23,29-Trihydroxy-12-oleanen-28-oic acid, 23-Carboxylic acid, 28-[?-D-glucopyranosyl-(1?3)-[?-D-glucopyranosyl-(1?6)]-?-D-glucopyranosyl] ester 	C48H76O21	988.487909	NA	MeJP	NA	NA
+PJ118641	GGAKERWW 	C46H64N14O11	988.488	NA	PeJP	NA	NA
+PJ118642	VLMFFFW 	C54H68N8O8S	988.4881	NA	PeJP	NA	NA
+PJ118643	KMMMHRR 	C39H72N16O8S3	988.4882	NA	PeJP	NA	NA
+PJ118644	PVKKEEEM 	C42H72N10O15S	988.49	NA	PeJP	NA	NA
+PJ118645	GPTLLYYY 	C50H68N8O13	988.4906	NA	PeJP	NA	NA
+PJ118646	TLLLMMMH 	C43H76N10O10S3	988.4908	NA	PeJP	NA	NA
+PJ118647	AAPPLKMMM 	C43H76N10O10S3	988.4909	NA	PeJP	NA	NA
+PJ118648	GSPQKMRW 	C43H68N14O11S	988.4913	NA	PeJP	NA	NA
+PJ118649	GVQKWWW 	C51H64N12O9	988.492	NA	PeJP	NA	NA
+PJ118650	GTLEEERR 	C39H68N14O16	988.4938	NA	PeJP	NA	NA
+PJ118651	SSLLLMYY 	C47H72N8O13S	988.494	NA	PeJP	NA	NA
+PJ118652	GPLEMMRR 	C40H72N14O11S2	988.4947	NA	PeJP	NA	NA
+PJ118653	SNDRRRW 	C40H64N18O12	988.4952	NA	PeJP	NA	NA
+PJ118654	PTLMRWW 	C48H68N12O9S	988.4953	NA	PeJP	NA	NA
+PJ118655	LLWWWW 	C56H64N10O7	988.496	NA	PeJP	NA	NA
+PJ118656	LKEEERW 	C44H68N12O14	988.4978	NA	PeJP	NA	NA
+PJ118657	GGGAATLKEW 	C44H68N12O14	988.4979	NA	PeJP	NA	NA
+PJ118658	NQEMRRR 	C37H68N18O12S	988.4985	NA	PeJP	NA	NA
+PJ118659	GGGGGGGKMRR 	C37H68N18O12S	988.4986	NA	PeJP	NA	NA
+PJ118660	GPVLMMRW 	C45H72N12O9S2	988.4987	NA	PeJP	NA	NA
+PJ118661	GTQRRWW 	C45H64N16O10	988.4992	NA	PeJP	NA	NA
+PJ118662	SPLKEEMR 	C41H72N12O14S	988.5012	NA	PeJP	NA	NA
+PJ118663	SSPTLLWW 	C49H68N10O12	988.5018	NA	PeJP	NA	NA
+PJ118664	VLKEEWW 	C49H68N10O12	988.5019	NA	PeJP	NA	NA
+PJ118665	PPVKMMMR 	C42H76N12O9S3	988.5021	NA	PeJP	NA	NA
+PJ118666	VNQMRRW 	C42H68N16O10S	988.5025	NA	PeJP	NA	NA
+PJ118667	GGVQMRRW 	C42H68N16O10S	988.5026	NA	PeJP	NA	NA
+MJ099175	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Cinnamoyl, 20-Ac, 3-glycoside 	C52H76O18	988.503165	NA	MeJP	NA	NA
+PJ118668	QKRWWW 	C50H64N14O8	988.5032	NA	PeJP	NA	NA
+PJ118669	ASNKEERR 	C38H68N16O15	988.505	NA	PeJP	NA	NA
+PJ118670	GSQKEERR 	C38H68N16O15	988.5051	NA	PeJP	NA	NA
+PJ118671	SPVLKEMW 	C46H72N10O12S	988.5052	NA	PeJP	NA	NA
+PJ118672	VVLFYYW 	C54H68N8O10	988.5059	NA	PeJP	NA	NA
+PJ118673	QQQHHRR 	C39H64N20O11	988.5064	NA	PeJP	NA	NA
+PJ118674	PPMFRRW 	C47H68N14O8S	988.5066	NA	PeJP	NA	NA
+PJ118675	VVKKEEEE 	C42H72N10O17	988.5077	NA	PeJP	NA	NA
+2946	NA	FGGFTGARRPKLKWDNQ	988.50785	MH2+	Inhouse_peptide	NA	peptide
+PJ118676	PLLQKEMM 	C43H76N10O12S2	988.5086	NA	PeJP	NA	NA
+PJ118677	TLEERRW 	C43H68N14O13	988.5091	NA	PeJP	NA	NA
+PJ118678	GVLLMFFY 	C51H72N8O10S	988.5093	NA	PeJP	NA	NA
+PJ118679	CNERRRR 	C36H68N20O11S	988.5098	NA	PeJP	NA	NA
+PJ118680	PLMMRRW 	C44H72N14O8S2	988.5099	NA	PeJP	NA	NA
+PJ118681	PTHHRRW 	C44H64N18O9	988.5104	NA	PeJP	NA	NA
+PJ118682	PLLLEEEF 	C47H72N8O15	988.5118	NA	PeJP	NA	NA
+PJ118683	SPTLEMRR 	C40H72N14O13S	988.5124	NA	PeJP	NA	NA
+PJ118684	GVLEEMRR 	C40H72N14O13S	988.5125	NA	PeJP	NA	NA
+PJ118685	SLLERWW 	C48H68N12O11	988.5131	NA	PeJP	NA	NA
+PJ118686	GQMRRRW 	C41H68N18O9S	988.5138	NA	PeJP	NA	NA
+PJ118687	LLLLEEEM 	C44H76N8O15S	988.5151	NA	PeJP	NA	NA
+PJ118688	GSTQERRR 	C37H68N18O14	988.5163	NA	PeJP	NA	NA
+PJ118689	AALLEMRW 	C45H72N12O11S	988.5165	NA	PeJP	NA	NA
+PJ118690	SVLLWWW 	C53H68N10O9	988.5171	NA	PeJP	NA	NA
+PJ118691	APCCKRRR 	C38H72N18O9S2	988.5172	NA	PeJP	NA	NA
+PJ118692	NNHHRRR 	C38H64N22O10	988.5176	NA	PeJP	NA	NA
+PJ118693	VTTTTTTKH 	C41H72N12O16	988.5189	NA	PeJP	NA	NA
+PJ118694	SVLKEEER 	C41H72N12O16	988.519	NA	PeJP	NA	NA
+PJ118695	PVVKEMMR 	C42H76N12O11S2	988.5198	NA	PeJP	NA	NA
+PJ118696	GGGAPLKKMM 	C42H76N12O11S2	988.5199	NA	PeJP	NA	NA
+PJ118697	SQKERRW 	C42H68N16O12	988.5203	NA	PeJP	NA	NA
+PJ118698	LLLQMWW 	C50H72N10O9S	988.5205	NA	PeJP	NA	NA
+PJ118699	ATLLKEEW 	C46H72N10O14	988.523	NA	PeJP	NA	NA
+PJ118700	LEEMRRR 	C39H72N16O12S	988.5237	NA	PeJP	NA	NA
+PJ118701	APLLKMMW 	C47H76N10O9S2	988.5239	NA	PeJP	NA	NA
+MJ099176	20,24-Epoxycycloartane-3,6,16,25-tetrol, 3-O-(2-O-Acetyl-?-D-xylopyranoside), 6,25-di-O-?-D-glucopyranoside 	C49H80O20	988.524295	NA	MeJP	NA	NA
+PJ118702	GKKERWW 	C47H68N14O10	988.5243	NA	PeJP	NA	NA
+PJ118703	GCRRRRW 	C40H68N20O8S	988.525	NA	PeJP	NA	NA
+PJ118704	PTTTCLLLQ 	C43H76N10O14S	988.5263	NA	PeJP	NA	NA
+PJ118705	VLLQKEEM 	C43H76N10O14S	988.5264	NA	PeJP	NA	NA
+PJ118706	AALLLYYY 	C51H72N8O12	988.527	NA	PeJP	NA	NA
+PJ118707	GSSDRRRR 	C36H68N20O13	988.5275	NA	PeJP	NA	NA
+PJ118708	VLEMRRW 	C44H72N14O10S	988.5277	NA	PeJP	NA	NA
+PJ118709	GVKKWWW 	C52H68N12O8	988.5284	NA	PeJP	NA	NA
+PJ118710	SSLLEERR 	C40H72N14O15	988.5302	NA	PeJP	NA	NA
+PJ118711	SPVLMMRR 	C41H76N14O10S2	988.5311	NA	PeJP	NA	NA
+PJ118712	STQRRRW 	C41H68N18O11	988.5315	NA	PeJP	NA	NA
+PJ118713	GGGAPRRRY 	C41H68N18O11	988.5316	NA	PeJP	NA	NA
+PJ118714	VVLMRWW 	C49H72N12O8S	988.5317	NA	PeJP	NA	NA
+PJ118715	ATTLLERW 	C45H72N12O13	988.5342	NA	PeJP	NA	NA
+PJ118716	GGGGGGAALLLF 	C45H72N12O13	988.5343	NA	PeJP	NA	NA
+PJ118717	NKEMRRR 	C38H72N18O11S	988.5349	NA	PeJP	NA	NA
+PJ118718	GTKRRWW 	C46H68N16O9	988.5356	NA	PeJP	NA	NA
+PJ118719	ALLKEEMR 	C42H76N12O13S	988.5376	NA	PeJP	NA	NA
+PJ118720	GTTLLLWW 	C50H72N10O11	988.5382	NA	PeJP	NA	NA
+PJ118721	GGAPLLLYW 	C50H72N10O11	988.5383	NA	PeJP	NA	NA
+PJ118722	VNKMRRW 	C43H72N16O9S	988.5389	NA	PeJP	NA	NA
+PJ118723	KKRWWW 	C51H68N14O7	988.5396	NA	PeJP	NA	NA
+PJ118724	GSKKEERR 	C39H72N16O14	988.5414	NA	PeJP	NA	NA
+PJ118725	GGGGSDKKKR 	C39H72N16O14	988.5415	NA	PeJP	NA	NA
+PJ118726	GLLLKEMW 	C47H76N10O11S	988.5416	NA	PeJP	NA	NA
+PJ118727	APCKKMRR 	C40H76N16O9S2	988.5423	NA	PeJP	NA	NA
+PJ118728	VEHHRRR 	C40H68N20O10	988.5428	NA	PeJP	NA	NA
+PJ118729	TLLKKEEE 	C43H76N10O16	988.5441	NA	PeJP	NA	NA
+PJ118730	PLLKKEMM 	C44H80N10O11S2	988.545	NA	PeJP	NA	NA
+PJ118731	SSPTKKRW 	C44H72N14O12	988.5454	NA	PeJP	NA	NA
+PJ118732	DKKKERW 	C44H72N14O12	988.5455	NA	PeJP	NA	NA
+PJ118733	SQMRRRR 	C37H72N20O10S	988.5461	NA	PeJP	NA	NA
+PJ118734	GGTMRRRR 	C37H72N20O10S	988.5462	NA	PeJP	NA	NA
+PJ118735	VVHHRRW 	C45H68N18O8	988.5468	NA	PeJP	NA	NA
+PJ118736	PLLLLEEY 	C48H76N8O14	988.5481	NA	PeJP	NA	NA
+PJ118737	ATLLEMRR 	C41H76N14O12S	988.5488	NA	PeJP	NA	NA
+PJ118738	GGGGGVVCKKK 	C41H76N14O12S	988.5489	NA	PeJP	NA	NA
+PJ118739	VDKKKWW 	C49H72N12O10	988.5495	NA	PeJP	NA	NA
+PJ118740	GKMRRRW 	C42H72N18O8S	988.5502	NA	PeJP	NA	NA
+PJ118741	GSTKERRR 	C38H72N18O13	988.5527	NA	PeJP	NA	NA
+PJ118742	GTLLLMRW 	C46H76N12O10S	988.5529	NA	PeJP	NA	NA
+PJ118743	PLLKFWW 	C54H72N10O8	988.5535	NA	PeJP	NA	NA
+PJ118744	ASSTLLLER 	C42H76N12O15	988.5553	NA	PeJP	NA	NA
+PJ118745	TTLLKEER 	C42H76N12O15	988.5554	NA	PeJP	NA	NA
+PJ118746	PTLLKMMR 	C43H80N12O10S2	988.5562	NA	PeJP	NA	NA
+PJ118747	SKKERRW 	C43H72N16O11	988.5567	NA	PeJP	NA	NA
+PJ118748	LLLKMWW 	C51H76N10O8S	988.5569	NA	PeJP	NA	NA
+PJ118749	SCRRRRR 	C36H72N22O9S	988.5574	NA	PeJP	NA	NA
+PJ118750	STLLLKEW 	C47H76N10O13	988.5594	NA	PeJP	NA	NA
+PJ118751	AAKKEMRR 	C40H76N16O11S	988.5601	NA	PeJP	NA	NA
+MJ099177	Dammar-24-ene-3,12,20-triol, 3-O-[6-O-Acetyl-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C50H84O19	988.56068	NA	MeJP	NA	NA
+MJ099178	Dammar-24-ene-3,12,20-triol, 3-O-[?-D-Glucopyranosyl-(1?2)-6-O-acetyl-?-D-glucopyranoside], 20-O-?-D-glucopyranoside 	C50H84O19	988.56068	NA	MeJP	NA	NA
+PJ118752	SVKKRWW 	C48H72N14O9	988.5607	NA	PeJP	NA	NA
+2856	NA	YGGFLRRIKSARKLANQ	988.56145	MH2+	Inhouse_peptide	NA	peptide
+PJ118753	AATLLLKEM 	C44H80N10O13S	988.5627	NA	PeJP	NA	NA
+PJ118754	VLLKKEEM 	C44H80N10O13S	988.5628	NA	PeJP	NA	NA
+PJ118755	GSTTRRRR 	C37H72N20O12	988.5639	NA	PeJP	NA	NA
+PJ118756	LQKKMRW 	C45H76N14O9S	988.5641	NA	PeJP	NA	NA
+PJ118757	TTTLLERR 	C41H76N14O14	988.5666	NA	PeJP	NA	NA
+PJ118758	GLLLMMRR 	C42H80N14O9S2	988.5675	NA	PeJP	NA	NA
+PJ118759	STKRRRW 	C42H72N18O10	988.5679	NA	PeJP	NA	NA
+PJ118760	STTLLLRW 	C46H76N12O12	988.5706	NA	PeJP	NA	NA
+PJ118761	DKKMRRR 	C39H76N18O10S	988.5713	NA	PeJP	NA	NA
+PJ118762	LLKHHRW 	C47H72N16O8	988.5719	NA	PeJP	NA	NA
+PJ118763	SLLLKEMR 	C43H80N12O12S	988.574	NA	PeJP	NA	NA
+PJ118764	GPLLLKYW 	C51H76N10O10	988.5746	NA	PeJP	NA	NA
+PJ118765	CLKKRRW 	C44H76N16O8S	988.5753	NA	PeJP	NA	NA
+PJ118766	ATTKKERR 	C40H76N16O13	988.5778	NA	PeJP	NA	NA
+PJ118767	SVLLLKMW 	C48H80N10O10S	988.578	NA	PeJP	NA	NA
+PJ118768	AQFRRRR 	C41H72N20O9	988.5792	NA	PeJP	NA	NA
+PJ118769	SSSLLLLKE 	C44H80N10O15	988.5805	NA	PeJP	NA	NA
+PJ118770	LLLLQKMM 	C45H84N10O10S2	988.5814	NA	PeJP	NA	NA
+PJ118771	GTTLKKRW 	C45H76N14O11	988.5818	NA	PeJP	NA	NA
+PJ118772	GGGTKKKKW 	C45H76N14O11	988.5819	NA	PeJP	NA	NA
+MJ099179	Apramide D; 2'-Demethyl 	C53H80N8O8S	988.581982	NA	MeJP	NA	NA
+PJ118773	SKMRRRR 	C38H76N20O9S	988.5825	NA	PeJP	NA	NA
+PJ118774	LLLLLEEF 	C49H80N8O13	988.5845	NA	PeJP	NA	NA
+PJ118775	STLLLMRR 	C42H80N14O11S	988.5852	NA	PeJP	NA	NA
+PJ118776	TLKKKWW 	C50H76N12O9	988.5859	NA	PeJP	NA	NA
+PJ118777	SSSLKRRR 	C39H76N18O12	988.5891	NA	PeJP	NA	NA
+PJ118778	GVLKKKMW 	C47H80N12O9S	988.5892	NA	PeJP	NA	NA
+PJ118779	SSSTLLLLR 	C43H80N12O14	988.5917	NA	PeJP	NA	NA
+PJ118780	VVLLKMMR 	C44H84N12O9S2	988.5926	NA	PeJP	NA	NA
+PJ118781	AAPKKRRY 	C44H76N16O10	988.5931	NA	PeJP	NA	NA
+PJ118782	PVLLKKEY 	C48H80N10O12	988.5958	NA	PeJP	NA	NA
+PJ118783	ASLKKMRR 	C41H80N16O10S	988.5964	NA	PeJP	NA	NA
+PJ118784	GTLKKMRR 	C41H80N16O10S	988.5965	NA	PeJP	NA	NA
+PJ118785	VLLFRRW 	C49H76N14O8	988.5971	NA	PeJP	NA	NA
+PJ118786	GTTLLLLKM 	C45H84N10O12S	988.5991	NA	PeJP	NA	NA
+PJ118787	LKKKMRW 	C46H80N14O8S	988.6005	NA	PeJP	NA	NA
+PJ118788	STLKKKER 	C42H80N14O13	988.603	NA	PeJP	NA	NA
+PJ118789	VQKFRRR 	C43H76N18O9	988.6043	NA	PeJP	NA	NA
+PJ118790	SSLLKKKW 	C47H80N12O11	988.607	NA	PeJP	NA	NA
+PJ118791	VVKKKKEM 	C44H84N12O11S	988.6104	NA	PeJP	NA	NA
+PJ118792	GLLLLKFW 	C52H80N10O9	988.611	NA	PeJP	NA	NA
+PJ118793	STTLKKRR 	C41H80N16O12	988.6142	NA	PeJP	NA	NA
+PJ118794	PLLLKKMF 	C49H84N10O9S	988.6144	NA	PeJP	NA	NA
+PJ118795	AKFRRRR 	C42H76N20O8	988.6155	NA	PeJP	NA	NA
+PJ118796	KKKHHRR 	C42H76N20O8	988.6156	NA	PeJP	NA	NA
+PJ118797	STTTLLLLK 	C45H84N10O14	988.6169	NA	PeJP	NA	NA
+PJ118798	LLLLKKMM 	C46H88N10O9S2	988.6178	NA	PeJP	NA	NA
+PJ118799	GSKKKKKW 	C46H80N14O10	988.6182	NA	PeJP	NA	NA
+PJ118800	LLLLLLEY 	C50H84N8O12	988.6209	NA	PeJP	NA	NA
+PJ118801	SVLKKKMR 	C43H84N14O10S	988.6216	NA	PeJP	NA	NA
+PJ118802	GTTTLLKKK 	C44H84N12O13	988.6281	NA	PeJP	NA	NA
+PJ118803	LLLRRRY 	C45H80N16O9	988.6295	NA	PeJP	NA	NA
+PJ118804	VLLLLQKY 	C49H84N10O11	988.6321	NA	PeJP	NA	NA
+PJ118805	GGLLLLLKY 	C49H84N10O11	988.6322	NA	PeJP	NA	NA
+PJ118806	ACKKKKKR 	C42H84N16O9S	988.6328	NA	PeJP	NA	NA
+PJ118807	SDKKKKKK 	C43H84N14O12	988.6394	NA	PeJP	NA	NA
+PJ118808	VKKFRRR 	C44H80N18O8	988.6407	NA	PeJP	NA	NA
+PJ118809	ALLLLKRY 	C48H84N12O10	988.6434	NA	PeJP	NA	NA
+PJ118810	TLLKKKKM 	C45H88N12O10S	988.6468	NA	PeJP	NA	NA
+PJ118811	SSKKKKKR 	C42H84N16O11	988.6506	NA	PeJP	NA	NA
+PJ118812	GLLKKKFR 	C47H84N14O9	988.6546	NA	PeJP	NA	NA
+PJ118813	AKKKKKKM 	C44H88N14O9S	988.658	NA	PeJP	NA	NA
+PJ118814	VLLLLKKY 	C50H88N10O10	988.6685	NA	PeJP	NA	NA
+PJ118815	TTKKKKKK 	C44H88N14O11	988.6757	NA	PeJP	NA	NA
+PJ118816	VVLKKKKF 	C49H88N12O9	988.6798	NA	PeJP	NA	NA
+PJ118817	CCCCCCCCF 	C33H51N9O10S8	989.1525	NA	PeJP	NA	NA
+PJ118818	SCCCCCCCY 	C33H51N9O12S7	989.1703	NA	PeJP	NA	NA
+PJ118819	SCCCCCCEH 	C32H51N11O13S6	989.1993	NA	PeJP	NA	NA
+PJ118820	SCCCDDDDD 	C32H47N9O21S3	989.2049	NA	PeJP	NA	NA
+PJ118821	PCCCCCDDE 	C33H51N9O16S5	989.2058	NA	PeJP	NA	NA
+PJ118822	GCCCCCMMH 	C33H55N11O10S7	989.2179	NA	PeJP	NA	NA
+PJ118823	GCCCDDDEM 	C33H51N9O18S4	989.2235	NA	PeJP	NA	NA
+PJ118824	CCCCCNNNN 	C31H51N13O14S5	989.2282	NA	PeJP	NA	NA
+PJ118825	GGGGCCCCCNN 	C31H51N13O14S5	989.2283	NA	PeJP	NA	NA
+PJ118826	GCCCCCDHF 	C36H51N11O12S5	989.2323	NA	PeJP	NA	NA
+PJ118827	SCCCCNNDE 	C32H51N11O17S4	989.2348	NA	PeJP	NA	NA
+PJ118828	STCCCCCMH 	C33H55N11O12S6	989.2356	NA	PeJP	NA	NA
+PJ118829	GGGGPCCCCCM 	C33H55N11O12S6	989.2357	NA	PeJP	NA	NA
+PJ118830	CCCDDDMW 	C37H51N9O15S4	989.2388	NA	PeJP	NA	NA
+PJ118831	SSCCDDDDM 	C33H51N9O20S3	989.2413	NA	PeJP	NA	NA
+PJ118832	SPCCCCDEM 	C34H55N9O15S5	989.2422	NA	PeJP	NA	NA
+PJ118833	PPCCCCCMM 	C35H59N9O10S7	989.243	NA	PeJP	NA	NA
+PJ118834	GSCCCCNDW 	C36H51N11O14S4	989.25	NA	PeJP	NA	NA
+PJ118835	GSSSCCCNDD 	C32H51N11O19S3	989.2525	NA	PeJP	NA	NA
+PJ118836	GCCCNNDMM 	C33H55N11O14S5	989.2534	NA	PeJP	NA	NA
+FL7AAAGL0042	Pelargonidin 3-(6''-ferulylsambubioside)-5-(6'''-malonylglucoside)	C45H49O25	989.25629	175738-00-8	knapsack	NA	NA
+PJ118837	GPCCCDDDY 	C37H51N9O17S3	989.2566	NA	PeJP	NA	NA
+PJ118838	PPCCCCCDF 	C38H55N9O12S5	989.2574	NA	PeJP	NA	NA
+PJ118839	GSCCDDEMM 	C34H55N9O17S4	989.2599	NA	PeJP	NA	NA
+PJ118840	GPCCCDMMM 	C35H59N9O12S6	989.2608	NA	PeJP	NA	NA
+PJ118841	GCCCCCNER 	C32H55N13O13S5	989.2646	NA	PeJP	NA	NA
+PJ118842	GCCCNNDDF 	C36H51N11O16S3	989.2678	NA	PeJP	NA	NA
+PJ118843	CCCCNQMW 	C37H55N11O11S5	989.2686	NA	PeJP	NA	NA
+PJ118844	GGCCCCQMW 	C37H55N11O11S5	989.2687	NA	PeJP	NA	NA
+PJ118845	SSCCCNNEM 	C33H55N11O16S4	989.2711	NA	PeJP	NA	NA
+PJ118846	GGSSCCCNEM 	C33H55N11O16S4	989.2712	NA	PeJP	NA	NA
+PJ118847	PCCCCCCQK 	C34H59N11O11S6	989.272	NA	PeJP	NA	NA
+PJ118848	GCCCCNNHH 	C34H51N15O12S4	989.2725	NA	PeJP	NA	NA
+PJ118849	CNDDDDMY 	C37H51N9O19S2	989.2743	NA	PeJP	NA	NA
+PJ118850	SCCDDMMW 	C38H55N9O14S4	989.2752	NA	PeJP	NA	NA
+PJ118851	SSSCDDDMM 	C34H55N9O19S3	989.2777	NA	PeJP	NA	NA
+PJ118852	CNDDMMMM 	C35H59N9O14S5	989.2785	NA	PeJP	NA	NA
+PJ118853	GGCDDMMMM 	C35H59N9O14S5	989.2786	NA	PeJP	NA	NA
+PJ118854	GSCCCDEHH 	C35H51N13O15S3	989.279	NA	PeJP	NA	NA
+PJ118855	CCCCCNRW 	C36H55N13O10S5	989.2799	NA	PeJP	NA	NA
+PJ118856	SSCCCCNDR 	C32H55N13O15S4	989.2824	NA	PeJP	NA	NA
+PJ118857	GSDDDDDDH 	C35H47N11O23	989.2847	NA	PeJP	NA	NA
+PJ118858	GSCCNNDDY 	C36H51N11O18S2	989.2855	NA	PeJP	NA	NA
+PJ118859	GGGGGSCCDDY 	C36H51N11O18S2	989.2856	NA	PeJP	NA	NA
+PJ118860	GSSCCCNMW 	C37H55N11O13S4	989.2864	NA	PeJP	NA	NA
+PJ118861	GSSSSCCNDM 	C33H55N11O18S3	989.2889	NA	PeJP	NA	NA
+PJ118862	GCCDDEYW 	C41H51N9O16S2	989.2896	NA	PeJP	NA	NA
+PJ118863	CCCDEMMR 	C34H59N11O13S5	989.2898	NA	PeJP	NA	NA
+PJ118864	PCCCCEFW 	C42H55N9O11S4	989.2904	NA	PeJP	NA	NA
+PJ118865	GSSCDDDEY 	C37H51N9O21S	989.2921	NA	PeJP	NA	NA
+PJ118866	GSPCCDDMY 	C38H55N9O16S3	989.2929	NA	PeJP	NA	NA
+PJ118867	GCCEMMMW 	C39H59N9O11S5	989.2938	NA	PeJP	NA	NA
+PJ118868	SCCCDHHW 	C39H51N13O12S3	989.2943	NA	PeJP	NA	NA
+PJ118869	GSSCDEMMM 	C35H59N9O16S4	989.2963	NA	PeJP	NA	NA
+PJ118870	SSSCCDDHH 	C35H51N13O17S2	989.2968	NA	PeJP	NA	NA
+PJ118871	GSPCCMMMM 	C36H63N9O11S6	989.2972	NA	PeJP	NA	NA
+PJ118872	CCNDMMHH 	C36H55N13O12S4	989.2976	NA	PeJP	NA	NA
+PJ118873	GGCCDMMHH 	C36H55N13O12S4	989.2977	NA	PeJP	NA	NA
+PJ118874	PCCDDDHW 	C40H51N11O15S2	989.3008	NA	PeJP	NA	NA
+PJ118875	GSCCCCQMR 	C33H59N13O12S5	989.301	NA	PeJP	NA	NA
+PJ118876	CCCCQHFF 	C41H55N11O10S4	989.3017	NA	PeJP	NA	NA
+PJ118877	NDDDDEMH 	C36H51N11O20S	989.3033	NA	PeJP	NA	NA
+PJ118878	SSSTCCCNW 	C37H55N11O15S3	989.3041	NA	PeJP	NA	NA
+PJ118879	SSSSCCCQW 	C37H55N11O15S3	989.3042	NA	PeJP	NA	NA
+PJ118880	CCDDYWW 	C45H51N9O13S2	989.3048	NA	PeJP	NA	NA
+PJ118881	CCCCNKMW 	C38H59N11O10S5	989.305	NA	PeJP	NA	NA
+PJ118882	SSSSSSCCNE 	C33H55N11O20S2	989.3066	NA	PeJP	NA	NA
+PJ118883	GGSSSSSSCCE 	C33H55N11O20S2	989.3067	NA	PeJP	NA	NA
+PJ118884	SSCDDDYW 	C41H51N9O18S	989.3073	NA	PeJP	NA	NA
+PJ118885	SSSCCNQMM 	C34H59N11O15S4	989.3075	NA	PeJP	NA	NA
+PJ118886	GCCNNNNDH 	C34H51N15O16S2	989.308	NA	PeJP	NA	NA
+PJ118887	SPCCCEYW 	C42H55N9O13S3	989.3082	NA	PeJP	NA	NA
+PJ118888	PCCCCCCKK 	C35H63N11O10S6	989.3084	NA	PeJP	NA	NA
+PJ118889	CCCCEHHR 	C35H55N15O11S4	989.3089	NA	PeJP	NA	NA
+PJ118890	CCMMMWW 	C43H59N9O8S5	989.3091	NA	PeJP	NA	NA
+PJ118891	SSSSDDDDY 	C37H51N9O23	989.3098	NA	PeJP	NA	NA
+PJ118892	SNDDDMMY 	C38H55N9O18S2	989.3107	NA	PeJP	NA	NA
+PJ118893	SSCDMMMW 	C39H59N9O13S4	989.3115	NA	PeJP	NA	NA
+PJ118894	TTCCDMMW 	C39H59N9O13S4	989.3116	NA	PeJP	NA	NA
+PJ118895	CCNDDHHF 	C39H51N13O14S2	989.312	NA	PeJP	NA	NA
+PJ118896	GSCCCCCRR 	C32H59N15O11S5	989.3123	NA	PeJP	NA	NA
+PJ118897	ACCCMHHW 	C40H55N13O9S4	989.3129	NA	PeJP	NA	NA
+HMDB06499	pentadecanoyl Coenzyme A	C36H62N7O17P3S	989.3136	http://www.hmdb.ca/metabolites/HMDB06499	HMDB	NA	NA
+HMDB06499	pentadecanoyl Coenzyme A	C36H62N7O17P3S	989.3136	HMDB06499	PFEM_hmdb_metabocards_official	NA	NA
+PJ118898	SSSSDDMMM 	C35H59N9O18S3	989.314	NA	PeJP	NA	NA
+PJ118899	TTTTCCDDM 	C35H59N9O18S3	989.3141	NA	PeJP	NA	NA
+PJ118900	CDDDDDHR 	C35H51N13O19S	989.3145	NA	PeJP	NA	NA
+PJ118901	GGGGGSCDDEH 	C35H51N13O19S	989.3146	NA	PeJP	NA	NA
+PJ118902	SNDMMMMM 	C36H63N9O13S5	989.3149	NA	PeJP	NA	NA
+PJ118903	CCCNNDRY 	C36H55N13O14S3	989.3154	NA	PeJP	NA	NA
+PJ118904	CCCNHHHH 	C37H51N17O10S3	989.3167	NA	PeJP	NA	NA
+PJ118905	GGCCCHHHH 	C37H51N17O10S3	989.3168	NA	PeJP	NA	NA
+PJ118906	GDDDDMHW 	C40H51N11O17S	989.3186	NA	PeJP	NA	NA
+PJ118907	SSSCCCNMR 	C33H59N13O14S4	989.3188	NA	PeJP	NA	NA
+PJ118908	GCCNNMYW 	C41H55N11O12S3	989.3194	NA	PeJP	NA	NA
+PJ118909	GSSDDDEEH 	C36H51N11O22	989.3211	NA	PeJP	NA	NA
+PJ118910	GSSSSSSCCW 	C37H55N11O17S2	989.3219	NA	PeJP	NA	NA
+PJ118911	GSTCCCCKW 	C38H59N11O12S4	989.3228	NA	PeJP	NA	NA
+PJ118912	CCDMFWW 	C46H55N9O10S3	989.3234	NA	PeJP	NA	NA
+PJ118913	GSSSSSSSSCD 	C33H55N11O22S	989.3244	NA	PeJP	NA	NA
+PJ118914	GNDDDEYY 	C41H51N9O20	989.3251	NA	PeJP	NA	NA
+PJ118915	GSSSSSCNMM 	C34H59N11O17S3	989.3253	NA	PeJP	NA	NA
+PJ118916	GSCDEMYW 	C42H55N9O15S2	989.3259	NA	PeJP	NA	NA
+PJ118917	GGPCCDEFY 	C42H55N9O15S2	989.326	NA	PeJP	NA	NA
+PJ118918	SCCEMMMR 	C35H63N11O12S5	989.3262	NA	PeJP	NA	NA
+PJ118919	GPCCMMYW 	C43H59N9O10S4	989.3268	NA	PeJP	NA	NA
+PJ118920	GSSSDDEMY 	C38H55N9O20S	989.3284	NA	PeJP	NA	NA
+PJ118921	GPPDDDDEM 	C38H55N9O20S	989.3285	NA	PeJP	NA	NA
+PJ118922	GNDEMMMY 	C39H59N9O15S3	989.3293	NA	PeJP	NA	NA
+PJ118923	SCNNDDHW 	C39H51N13O16S	989.3298	NA	PeJP	NA	NA
+PJ118924	CCEFYYY 	C47H55N7O13S2	989.33	NA	PeJP	NA	NA
+PJ118925	GTCMMMMW 	C40H63N9O10S5	989.3302	NA	PeJP	NA	NA
+PJ118926	SSCCMHHW 	C40H55N13O11S3	989.3307	NA	PeJP	NA	NA
+PJ118927	SSSNNDDDH 	C35H51N13O21	989.3323	NA	PeJP	NA	NA
+PJ118928	GSSSEMMMM 	C36H63N9O15S4	989.3327	NA	PeJP	NA	NA
+PJ118929	SSSSCDMHH 	C36H55N13O16S2	989.3331	NA	PeJP	NA	NA
+PJ118930	NNNDDMMH 	C36H55N13O16S2	989.3332	NA	PeJP	NA	NA
+PJ118931	GQMMMMMM 	C37H67N9O10S6	989.3336	NA	PeJP	NA	NA
+PJ118932	CDDEHWW 	C44H51N11O14S	989.3338	NA	PeJP	NA	NA
+PJ118933	CCCNNMFR 	C37H59N13O11S4	989.334	NA	PeJP	NA	NA
+PJ118934	SSDDDEHW 	C40H51N11O19	989.3363	NA	PeJP	NA	NA
+PJ118935	GSSSSTCCCR 	C33H59N13O16S3	989.3365	NA	PeJP	NA	NA
+PJ118936	SSCCNQYW 	C41H55N11O14S2	989.3372	NA	PeJP	NA	NA
+PJ118937	GSCCCCKMR 	C34H63N13O11S5	989.3374	NA	PeJP	NA	NA
+PJ118938	CCCCKHFF 	C42H59N11O9S4	989.3381	NA	PeJP	NA	NA
+PJ118939	SSSSCNNEY 	C37H55N11O19S	989.3397	NA	PeJP	NA	NA
+PJ118940	NDDDYYW 	C45H51N9O17	989.3403	NA	PeJP	NA	NA
+PJ118941	SSSSCCCKW 	C38H59N11O14S3	989.3405	NA	PeJP	NA	NA
+PJ118942	ACCDEMRY 	C38H59N11O14S3	989.3406	NA	PeJP	NA	NA
+PJ118943	SCDMYWW 	C46H55N9O12S2	989.3412	NA	PeJP	NA	NA
+PJ118944	PCCCMMFR 	C39H63N11O9S5	989.3414	NA	PeJP	NA	NA
+PJ118945	GPPCCCHHH 	C39H55N15O10S3	989.3419	NA	PeJP	NA	NA
+PJ118946	SSSSSSSCQM 	C34H59N11O19S2	989.343	NA	PeJP	NA	NA
+PJ118947	GNNNNNNDD 	C34H51N15O20	989.3435	NA	PeJP	NA	NA
+PJ118948	GGGGGGGGGNNDD 	C34H51N15O20	989.3436	NA	PeJP	NA	NA
+PJ118949	SSSDDMYW 	C42H55N9O17S	989.3437	NA	PeJP	NA	NA
+PJ118950	SSSCCNKMM 	C35H63N11O14S4	989.3439	NA	PeJP	NA	NA
+PJ118951	CCNNDEHR 	C35H55N15O15S2	989.3444	NA	PeJP	NA	NA
+PJ118952	NDMMMYW 	C43H59N9O12S3	989.3446	NA	PeJP	NA	NA
+PJ118953	GCMMMMMR 	C36H67N11O9S6	989.3448	NA	PeJP	NA	NA
+PJ118954	TCCCMHHR 	C36H59N15O10S4	989.3453	NA	PeJP	NA	NA
+PJ118955	SSSSSDEEY 	C38H55N9O22	989.3462	NA	PeJP	NA	NA
+PJ118956	SSNEEMMY 	C39H59N9O17S2	989.3471	NA	PeJP	NA	NA
+PJ118957	NNNDDDHF 	C39H51N13O18	989.3475	NA	PeJP	NA	NA
+PJ118958	GGNNDDDHF 	C39H51N13O18	989.3476	NA	PeJP	NA	NA
+PJ118959	SCEYYYY 	C47H55N7O15S	989.3477	NA	PeJP	NA	NA
+PJ118960	SSSMMMMW 	C40H63N9O12S4	989.3479	NA	PeJP	NA	NA
+PJ118961	GGGEMMMMF 	C40H63N9O12S4	989.348	NA	PeJP	NA	NA
+PJ118962	GCNNEMHW 	C40H55N13O13S2	989.3484	NA	PeJP	NA	NA
+PJ118963	EEEEEYY 	C43H55N7O20	989.3502	NA	PeJP	NA	NA
+PJ118964	SSSSTEMMM 	C36H63N9O17S3	989.3504	NA	PeJP	NA	NA
+PJ118965	SDDDDMHR 	C36H55N13O18S	989.3509	NA	PeJP	NA	NA
+PJ118966	GGGGGGGGAPCDE 	C36H55N13O18S	989.351	NA	PeJP	NA	NA
+PJ118967	STQMMMMM 	C37H67N9O12S5	989.3513	NA	PeJP	NA	NA
+PJ118968	SCCNNMRY 	C37H59N13O13S3	989.3518	NA	PeJP	NA	NA
+PJ118969	CNNNDHHH 	C37H51N17O14S	989.3523	NA	PeJP	NA	NA
+PJ118970	GCCNNFFW 	C45H55N11O11S2	989.3524	NA	PeJP	NA	NA
+PJ118971	GGGGGCCFFW 	C45H55N11O11S2	989.3525	NA	PeJP	NA	NA
+PJ118972	SSSSSSSCCR 	C33H59N13O18S2	989.3543	NA	PeJP	NA	NA
+PJ118973	GSSSSCNYW 	C41H55N11O16S	989.3549	NA	PeJP	NA	NA
+PJ118974	GGGSPPCDDW 	C41H55N11O16S	989.355	NA	PeJP	NA	NA
+PJ118975	SSTCCCCKR 	C34H63N13O13S4	989.3552	NA	PeJP	NA	NA
+PJ118976	CCEMRYW 	C42H59N11O11S3	989.3558	NA	PeJP	NA	NA
+PJ118977	GSSSSSSNDY 	C37H55N11O21	989.3574	NA	PeJP	NA	NA
+PJ118978	PDDDDEER 	C37H55N11O21	989.3575	NA	PeJP	NA	NA
+PJ118979	SSCDEMRY 	C38H59N11O16S2	989.3583	NA	PeJP	NA	NA
+PJ118980	SNDDEHHH 	C38H51N15O17	989.3588	NA	PeJP	NA	NA
+PJ118981	GSPCDYYW 	C46H55N9O14S	989.359	NA	PeJP	NA	NA
+PJ118982	SPCCMMRY 	C39H63N11O11S4	989.3592	NA	PeJP	NA	NA
+PJ118983	GCCNDHRW 	C39H55N15O12S2	989.3596	NA	PeJP	NA	NA
+PJ118984	GGGCCDHRW 	C39H55N15O12S2	989.3597	NA	PeJP	NA	NA
+PJ118985	ACMMYWW 	C47H59N9O9S3	989.3598	NA	PeJP	NA	NA
+PJ118986	GSSSSSSSSSM 	C34H59N11O21S	989.3608	NA	PeJP	NA	NA
+PJ118987	GPDEEEEW 	C42H55N9O19	989.3615	NA	PeJP	NA	NA
+PJ118988	GSSSSTCCKM 	C35H63N11O16S3	989.3617	NA	PeJP	NA	NA
+PJ118989	SSSCNNNQH 	C35H55N15O17S	989.3621	NA	PeJP	NA	NA
+PJ118990	GSSCNDDHR 	C35H55N15O17S	989.3622	NA	PeJP	NA	NA
+PJ118991	GSSEMMYW 	C43H59N9O14S2	989.3623	NA	PeJP	NA	NA
+PJ118992	STCMMMMR 	C36H67N11O11S5	989.3625	NA	PeJP	NA	NA
+PJ118993	GSCCCKKMM 	C36H67N11O11S5	989.3626	NA	PeJP	NA	NA
+PJ118994	GSPCCCQHR 	C36H59N15O12S3	989.363	NA	PeJP	NA	NA
+PJ118995	NMMMMFW 	C44H63N9O9S4	989.3632	NA	PeJP	NA	NA
+PJ118996	CNNMHWW 	C44H55N13O10S2	989.3637	NA	PeJP	NA	NA
+PJ118997	GSSSTEEMY 	C39H59N9O19S	989.3648	NA	PeJP	NA	NA
+PJ118998	GTQEMMMY 	C40H63N9O14S3	989.3657	NA	PeJP	NA	NA
+PJ118999	SSNNDMHW 	C40H55N13O15S	989.3662	NA	PeJP	NA	NA
+PJ119000	GMMYYYY 	C48H59N7O12S2	989.3663	NA	PeJP	NA	NA
+PJ119001	PCCKMMMF 	C41H67N9O9S5	989.3666	NA	PeJP	NA	NA
+PJ119002	PCCCNKHW 	C41H59N13O10S3	989.367	NA	PeJP	NA	NA
+PJ119003	GGPCCCKHW 	C41H59N13O10S3	989.3671	NA	PeJP	NA	NA
+PJ119004	GSPNDDDDR 	C36H55N13O20	989.3687	NA	PeJP	NA	NA
+PJ119005	GSTTTMMMM 	C37H67N9O14S4	989.3691	NA	PeJP	NA	NA
+PJ119006	GSSSCCQRY 	C37H59N13O15S2	989.3695	NA	PeJP	NA	NA
+PJ119007	GDDEMMHR 	C37H59N13O15S2	989.3696	NA	PeJP	NA	NA
+PJ119008	GKMMMMMM 	C38H71N9O9S6	989.3699	NA	PeJP	NA	NA
+PJ119009	SDEMHWW 	C45H55N11O13S	989.3702	NA	PeJP	NA	NA
+PJ119010	CCCCQKFR 	C38H63N13O10S4	989.3704	NA	PeJP	NA	NA
+PJ119011	PCMMHWW 	C46H59N11O8S3	989.3711	NA	PeJP	NA	NA
+PJ119012	SSSEEEHW 	C41H55N11O18	989.3727	NA	PeJP	NA	NA
+PJ119013	SSCCNKYW 	C42H59N11O13S2	989.3736	NA	PeJP	NA	NA
+PJ119014	GSDDHHHW 	C42H51N15O14	989.374	NA	PeJP	NA	NA
+PJ119015	GCEFYWW 	C50H55N9O11S	989.3742	NA	PeJP	NA	NA
+PJ119016	APCCHHHW 	C43H55N15O9S2	989.3749	NA	PeJP	NA	NA
+PJ119017	SSSSSNQMY 	C38H59N11O18S	989.376	NA	PeJP	NA	NA
+PJ119018	GGSSSSSQMY 	C38H59N11O18S	989.3761	NA	PeJP	NA	NA
+PJ119019	PDEEEWW 	C46H55N9O16	989.3767	NA	PeJP	NA	NA
+PJ119020	GSDMMMRY 	C39H63N11O13S3	989.3769	NA	PeJP	NA	NA
+PJ119021	GGGGSPPPCMM 	C39H63N11O13S3	989.377	NA	PeJP	NA	NA
+PJ119022	CNNNNQHF 	C39H55N15O14S	989.3774	NA	PeJP	NA	NA
+PJ119023	SSMMYWW 	C47H59N9O11S2	989.3776	NA	PeJP	NA	NA
+PJ119024	GCCMHHFR 	C40H59N15O9S3	989.3783	NA	PeJP	NA	NA
+PJ119025	SSSSSSSSSST 	C34H59N11O23	989.3785	NA	PeJP	NA	NA
+PJ119026	SSSSSSSCKM 	C35H63N11O18S2	989.3794	NA	PeJP	NA	NA
+PJ119027	NNNNDDER 	C35H55N15O19	989.3799	NA	PeJP	NA	NA
+PJ119028	GGGGGGGGGGGGGTE 	C35H55N15O19	989.38	NA	PeJP	NA	NA
+PJ119029	SSSTEMYW 	C43H59N9O16S	989.3801	NA	PeJP	NA	NA
+PJ119030	SSTCCCKKM 	C36H67N11O13S4	989.3803	NA	PeJP	NA	NA
+PJ119031	GDFYYYY 	C51H55N7O14	989.3807	NA	PeJP	NA	NA
+PJ119032	SCNNEMHR 	C36H59N15O14S2	989.3808	NA	PeJP	NA	NA
+PJ119033	TQMMMYW 	C44H63N9O11S3	989.3809	NA	PeJP	NA	NA
+PJ119034	GATMMMYW 	C44H63N9O11S3	989.381	NA	PeJP	NA	NA
+PJ119035	GSSCQHWW 	C44H55N13O12S	989.3814	NA	PeJP	NA	NA
+PJ119036	SSSSTTEEY 	C39H59N9O21	989.3826	NA	PeJP	NA	NA
+PJ119037	STTQEMMY 	C40H63N9O16S2	989.3834	NA	PeJP	NA	NA
+PJ119038	SSDKEMMY 	C40H63N9O16S2	989.3835	NA	PeJP	NA	NA
+PJ119039	GSSSSNEHW 	C40H55N13O17	989.3839	NA	PeJP	NA	NA
+PJ119040	GGGGGGGQEEW 	C40H55N13O17	989.384	NA	PeJP	NA	NA
+PJ119041	STMYYYY 	C48H59N7O14S	989.3841	NA	PeJP	NA	NA
+PJ119042	GVQMMMMY 	C41H67N9O11S4	989.3843	NA	PeJP	NA	NA
+PJ119043	DDMMHRW 	C41H59N13O12S2	989.3848	NA	PeJP	NA	NA
+PJ119044	PCDHFWW 	C49H55N11O10S	989.3854	NA	PeJP	NA	NA
+PJ119045	SSTTTTMMM 	C37H67N9O16S3	989.3868	NA	PeJP	NA	NA
+PJ119046	SSSSSCNRY 	C37H59N13O17S	989.3873	NA	PeJP	NA	NA
+PJ119047	STKMMMMM 	C38H71N9O11S5	989.3877	NA	PeJP	NA	NA
+PJ119048	GSSNNYYW 	C45H55N11O15	989.3879	NA	PeJP	NA	NA
+PJ119049	GSPNDEWW 	C45H55N11O15	989.388	NA	PeJP	NA	NA
+PJ119050	SCCCQKRY 	C38H63N13O12S3	989.3882	NA	PeJP	NA	NA
+PJ119051	SNNNMHHH 	C38H55N17O13S	989.3886	NA	PeJP	NA	NA
+PJ119052	GCDEHHHR 	C38H55N17O13S	989.3887	NA	PeJP	NA	NA
+PJ119053	AEMMHWW 	C46H59N11O10S2	989.3888	NA	PeJP	NA	NA
+PJ119054	CFYWWW 	C54H55N9O8S	989.3895	NA	PeJP	NA	NA
+PJ119055	GTTEEMHW 	C42H59N11O15S	989.3913	NA	PeJP	NA	NA
+PJ119056	GSEYYWW 	C50H55N9O13	989.392	NA	PeJP	NA	NA
+PJ119057	TCMMRYW 	C43H63N11O10S3	989.3922	NA	PeJP	NA	NA
+PJ119058	NEMHHHW 	C43H55N15O11S	989.3927	NA	PeJP	NA	NA
+PJ119059	ACMFFWW 	C51H59N9O8S2	989.3928	NA	PeJP	NA	NA
+PJ119060	GSSSSSSTQY 	C38H59N11O20	989.3938	NA	PeJP	NA	NA
+PJ119061	GGGGGGLEEEE 	C38H59N11O20	989.3939	NA	PeJP	NA	NA
+PJ119062	SSSEMMRY 	C39H63N11O15S2	989.3947	NA	PeJP	NA	NA
+PJ119063	SNNNNNQW 	C39H55N15O16	989.3951	NA	PeJP	NA	NA
+PJ119064	GNNNDDRW 	C39H55N15O16	989.3952	NA	PeJP	NA	NA
+PJ119065	AQEMYYW 	C47H59N9O13S	989.3953	NA	PeJP	NA	NA
+PJ119066	PPPCDEFW 	C47H59N9O13S	989.3954	NA	PeJP	NA	NA
+PJ119067	QMMMMRY 	C40H67N11O10S4	989.3956	NA	PeJP	NA	NA
+PJ119068	GSCNMHRW 	C40H59N15O11S2	989.396	NA	PeJP	NA	NA
+PJ119069	GGGGPCCHFR 	C40H59N15O11S2	989.3961	NA	PeJP	NA	NA
+PJ119070	MMMHFFF 	C48H63N9O8S3	989.3962	NA	PeJP	NA	NA
+PJ119071	GNDHHHHH 	C40H51N19O12	989.3965	NA	PeJP	NA	NA
+PJ119072	CNHHFFW 	C48H55N13O9S	989.3967	NA	PeJP	NA	NA
+PJ119073	GSDKEEYY 	C43H59N9O18	989.3978	NA	PeJP	NA	NA
+PJ119074	APTEEEEW 	C43H59N9O18	989.3979	NA	PeJP	NA	NA
+PJ119075	PCNDDDRR 	C36H59N15O16S	989.3985	NA	PeJP	NA	NA
+PJ119076	GGPCDDDRR 	C36H59N15O16S	989.3986	NA	PeJP	NA	NA
+PJ119077	GTTTMMYW 	C44H63N9O13S2	989.3987	NA	PeJP	NA	NA
+PJ119078	SSSSNHWW 	C44H55N13O14	989.3992	NA	PeJP	NA	NA
+PJ119079	GMFFYYY 	C52H59N7O11S	989.3994	NA	PeJP	NA	NA
+PJ119080	CCQKHWW 	C45H59N13O9S2	989.4	NA	PeJP	NA	NA
+PJ119081	GACCKHWW 	C45H59N13O9S2	989.4001	NA	PeJP	NA	NA
+PJ119082	SSSSSLEMY 	C40H63N9O18S	989.4012	NA	PeJP	NA	NA
+PJ119083	GTKEMMMY 	C41H67N9O13S3	989.4021	NA	PeJP	NA	NA
+PJ119084	SSSQQMHW 	C41H59N13O14S	989.4025	NA	PeJP	NA	NA
+PJ119085	GPNDDMRW 	C41H59N13O14S	989.4026	NA	PeJP	NA	NA
+PJ119086	SPNDWWW 	C49H55N11O12	989.4032	NA	PeJP	NA	NA
+PJ119087	PPCCMHFR 	C42H63N13O9S3	989.4034	NA	PeJP	NA	NA
+PJ119088	CDHHHRW 	C42H55N17O10S	989.4039	NA	PeJP	NA	NA
+PJ119089	SSSSNDKEH 	C37H59N13O19	989.405	NA	PeJP	NA	NA
+PJ119090	GNQEEEER 	C37H59N13O19	989.4051	NA	PeJP	NA	NA
+PJ119091	GSSSCCKRY 	C38H63N13O14S2	989.4059	NA	PeJP	NA	NA
+PJ119092	GGGGGGAAPQMM 	C38H63N13O14S2	989.406	NA	PeJP	NA	NA
+PJ119093	SSDDHHHR 	C38H55N17O15	989.4064	NA	PeJP	NA	NA
+PJ119094	TTEMHWW 	C46H59N11O12S	989.4066	NA	PeJP	NA	NA
+PJ119095	CMMMRRY 	C39H67N13O9S4	989.4068	NA	PeJP	NA	NA
+PJ119096	SYYWWW 	C54H55N9O10	989.4072	NA	PeJP	NA	NA
+PJ119097	PTCCHHHR 	C39H59N17O10S2	989.4073	NA	PeJP	NA	NA
+PJ119098	GMHHHWW 	C47H55N15O8S	989.4079	NA	PeJP	NA	NA
+MJ099180	Pseudobactin B 	C42H59N11O17	989.409039	NA	MeJP	NA	NA
+PJ119099	STTTEEHW 	C42H59N11O17	989.4091	NA	PeJP	NA	NA
+PJ119100	NNNNNNMR 	C35H59N17O15S	989.4098	NA	PeJP	NA	NA
+PJ119101	KEEMMHW 	C43H63N11O12S2	989.4099	NA	PeJP	NA	NA
+PJ119102	GSLEMMHW 	C43H63N11O12S2	989.41	NA	PeJP	NA	NA
+PJ119103	GSTEHHHW 	C43H55N15O13	989.4104	NA	PeJP	NA	NA
+PJ119104	AAMYYWW 	C51H59N9O10S	989.4106	NA	PeJP	NA	NA
+PJ119105	GGACCMHRR 	C36H63N17O10S3	989.4107	NA	PeJP	NA	NA
+PJ119106	SSSSSNKMY 	C39H63N11O17S	989.4124	NA	PeJP	NA	NA
+PJ119107	APEEEEMR 	C39H63N11O17S	989.4125	NA	PeJP	NA	NA
+PJ119108	SDKEYYW 	C47H59N9O15	989.4131	NA	PeJP	NA	NA
+PJ119109	GTTMMMRY 	C40H67N11O12S3	989.4133	NA	PeJP	NA	NA
+PJ119110	SSSCQHRW 	C40H59N15O13S	989.4138	NA	PeJP	NA	NA
+PJ119111	PCKMYYW 	C48H63N9O10S2	989.414	NA	PeJP	NA	NA
+PJ119112	GNNQWWW 	C48H55N13O11	989.4144	NA	PeJP	NA	NA
+PJ119113	GGGGGGAWWW 	C48H55N13O11	989.4145	NA	PeJP	NA	NA
+PJ119114	GNDDEERR 	C36H59N15O18	989.4163	NA	PeJP	NA	NA
+PJ119115	STTTTMYW 	C44H63N9O15S	989.4165	NA	PeJP	NA	NA
+PJ119116	GVYYYYY 	C52H59N7O13	989.4171	NA	PeJP	NA	NA
+PJ119117	GSPPCCDRR 	C37H63N15O13S2	989.4172	NA	PeJP	NA	NA
+PJ119118	TKMMMYW 	C45H67N9O10S3	989.4173	NA	PeJP	NA	NA
+PJ119119	AAAAMMMFF 	C45H67N9O10S3	989.4174	NA	PeJP	NA	NA
+PJ119120	PCNERWW 	C45H59N13O11S	989.4178	NA	PeJP	NA	NA
+PJ119121	EHFWWW 	C53H55N11O9	989.4185	NA	PeJP	NA	NA
+PJ119122	STTTTTTDY 	C40H63N9O20	989.4189	NA	PeJP	NA	NA
+PJ119123	SSTTTTTEY 	C40H63N9O20	989.419	NA	PeJP	NA	NA
+PJ119124	STTKEMMY 	C41H67N9O15S2	989.4198	NA	PeJP	NA	NA
+PJ119125	PPKEEEMM 	C41H67N9O15S2	989.4199	NA	PeJP	NA	NA
+PJ119126	NQEEERW 	C41H59N13O16	989.4203	NA	PeJP	NA	NA
+PJ119127	GGGGGGGGAAPEF 	C41H59N13O16	989.4204	NA	PeJP	NA	NA
+PJ119128	GVKMMMMY 	C42H71N9O10S4	989.4207	NA	PeJP	NA	NA
+PJ119129	TEMMHRW 	C42H63N13O11S2	989.4212	NA	PeJP	NA	NA
+PJ119130	ANNNHHHF 	C42H55N17O12	989.4216	NA	PeJP	NA	NA
+PJ119131	GNNQHHHF 	C42H55N17O12	989.4217	NA	PeJP	NA	NA
+PJ119132	GPQMWWW 	C50H59N11O9S	989.4218	NA	PeJP	NA	NA
+PJ119133	GCCCHRRR 	C35H63N19O9S3	989.4219	NA	PeJP	NA	NA
+PJ119134	STTEEMHR 	C38H63N13O16S	989.4237	NA	PeJP	NA	NA
+PJ119135	VNQEEWW 	C46H59N11O14	989.4243	NA	PeJP	NA	NA
+PJ119136	AAAAADEWW 	C46H59N11O14	989.4244	NA	PeJP	NA	NA
+PJ119137	ANQKMMMH 	C39H67N13O11S3	989.4245	NA	PeJP	NA	NA
+PJ119138	SCCCKKRY 	C39H67N13O11S3	989.4246	NA	PeJP	NA	NA
+PJ119139	GSEMHHHR 	C39H59N17O12S	989.425	NA	PeJP	NA	NA
+PJ119140	SLMMHWW 	C47H63N11O9S2	989.4252	NA	PeJP	NA	NA
+PJ119141	STHHHWW 	C47H55N15O10	989.4257	NA	PeJP	NA	NA
+PJ119142	SNNNDDRR 	C35H59N17O17	989.4275	NA	PeJP	NA	NA
+PJ119143	GGGGGGSDDRR 	C35H59N17O17	989.4276	NA	PeJP	NA	NA
+PJ119144	SSTLEMHW 	C43H63N11O14S	989.4277	NA	PeJP	NA	NA
+PJ119145	ATTYYWW 	C51H59N9O12	989.4283	NA	PeJP	NA	NA
+PJ119146	PPEEFWW 	C51H59N9O12	989.4284	NA	PeJP	NA	NA
+PJ119147	AALMMMHW 	C44H67N11O9S3	989.4286	NA	PeJP	NA	NA
+PJ119148	CNQHFRW 	C44H59N15O10S	989.429	NA	PeJP	NA	NA
+PJ119149	GGCQHFRW 	C44H59N15O10S	989.4291	NA	PeJP	NA	NA
+PJ119150	GSSSSSSTKY 	C39H63N11O19	989.4302	NA	PeJP	NA	NA
+PJ119151	STTTMMRY 	C40H67N11O14S2	989.4311	NA	PeJP	NA	NA
+PJ119152	GSSSSSHRW 	C40H59N15O15	989.4315	NA	PeJP	NA	NA
+PJ119153	NDDERRW 	C40H59N15O15	989.4316	NA	PeJP	NA	NA
+PJ119154	PLEEMWW 	C48H63N9O12S	989.4317	NA	PeJP	NA	NA
+PJ119155	KMMMMRY 	C41H71N11O9S4	989.4319	NA	PeJP	NA	NA
+PJ119156	PPPMMMMR 	C41H71N11O9S4	989.432	NA	PeJP	NA	NA
+PJ119157	GTCCKHRW 	C41H63N15O10S2	989.4324	NA	PeJP	NA	NA
+PJ119158	GTQHHHHH 	C41H55N19O11	989.4329	NA	PeJP	NA	NA
+PJ119159	GPCRWWW 	C49H59N13O8S	989.4331	NA	PeJP	NA	NA
+PJ119160	GVLEEEEW 	C44H63N9O17	989.4342	NA	PeJP	NA	NA
+PJ119161	SPNDDMRR 	C37H63N15O15S	989.4349	NA	PeJP	NA	NA
+PJ119162	GGGGGGGGVEMR 	C37H63N15O15S	989.435	NA	PeJP	NA	NA
+PJ119163	SPPLEMMW 	C45H67N9O12S2	989.4351	NA	PeJP	NA	NA
+PJ119164	GQEERWW 	C45H59N13O13	989.4356	NA	PeJP	NA	NA
+PJ119165	EMMMHRR 	C38H67N15O10S3	989.4358	NA	PeJP	NA	NA
+PJ119166	CCKKHWW 	C46H63N13O8S2	989.4364	NA	PeJP	NA	NA
+PJ119167	SSSTTTLMY 	C41H67N9O17S	989.4376	NA	PeJP	NA	NA
+PJ119168	SSLKMMMY 	C42H71N9O12S3	989.4385	NA	PeJP	NA	NA
+PJ119169	GSPQEMRW 	C42H63N13O13S	989.4389	NA	PeJP	NA	NA
+PJ119170	GPCDKERW 	C42H63N13O13S	989.439	NA	PeJP	NA	NA
+PJ119171	GVQEWWW 	C50H59N11O11	989.4396	NA	PeJP	NA	NA
+PJ119172	VMMMHRW 	C43H67N13O8S3	989.4398	NA	PeJP	NA	NA
+PJ119173	SMHHHRW 	C43H59N17O9S	989.4403	NA	PeJP	NA	NA
+PJ119174	ATQQEEER 	C38H63N13O18	989.4414	NA	PeJP	NA	NA
+PJ119175	GNKEEEER 	C38H63N13O18	989.4415	NA	PeJP	NA	NA
+PJ119176	SSLEMMHR 	C39H67N13O13S2	989.4423	NA	PeJP	NA	NA
+PJ119177	SSTEHHHR 	C39H59N17O14	989.4428	NA	PeJP	NA	NA
+PJ119178	ATMRYYW 	C47H63N11O11S	989.4429	NA	PeJP	NA	NA
+PJ119179	PNKEMWW 	C47H63N11O11S	989.443	NA	PeJP	NA	NA
+PJ119180	AAFFYWW 	C55H59N9O9	989.4436	NA	PeJP	NA	NA
+PJ119181	AAMMHHHR 	C40H63N17O9S2	989.4437	NA	PeJP	NA	NA
+PJ119182	SSSPPTTQW 	C43H63N11O16	989.4454	NA	PeJP	NA	NA
+PJ119183	LEEEERW 	C43H63N11O16	989.4455	NA	PeJP	NA	NA
+PJ119184	ACNNQERR 	C36H63N17O14S	989.4461	NA	PeJP	NA	NA
+PJ119185	GSSSTCHRR 	C36H63N17O14S	989.4462	NA	PeJP	NA	NA
+PJ119186	ATTLMMHW 	C44H67N11O11S2	989.4463	NA	PeJP	NA	NA
+PJ119187	GGGAAPLMMW 	C44H67N11O11S2	989.4464	NA	PeJP	NA	NA
+PJ119188	GDDRRWW 	C44H59N15O12	989.4468	NA	PeJP	NA	NA
+PJ119189	PCKFFYW 	C52H63N9O9S	989.447	NA	PeJP	NA	NA
+PJ119190	SSSSTCKKY 	C40H67N11O16S	989.4488	NA	PeJP	NA	NA
+PJ119191	AAAAAVQEEM 	C40H67N11O16S	989.4489	NA	PeJP	NA	NA
+PJ119192	VLEEEWW 	C48H63N9O14	989.4495	NA	PeJP	NA	NA
+PJ119193	SCCKKKMY 	C41H71N11O11S3	989.4497	NA	PeJP	NA	NA
+PJ119194	GSPCERRW 	C41H63N15O12S	989.4502	NA	PeJP	NA	NA
+PJ119195	CLKMFYW 	C49H67N9O9S2	989.4504	NA	PeJP	NA	NA
+PJ119196	QERWWW 	C49H59N13O10	989.4508	NA	PeJP	NA	NA
+7406	celiac sprue gluten epitope found in secalin	QQHPQQPQ	989.452	antioxidative	Inhouse_peptide	NA	peptide
+PJ119197	GSQEEERR 	C37H63N15O17	989.4527	NA	PeJP	NA	NA
+PJ119198	KKEEMYY 	C45H67N9O14S	989.4528	NA	PeJP	NA	NA
+PJ119199	SPVLEEMW 	C45H67N9O14S	989.4529	NA	PeJP	NA	NA
+PJ119200	SSNKMMHR 	C38H67N15O12S2	989.4535	NA	PeJP	NA	NA
+PJ119201	GPNEMMRR 	C38H67N15O12S2	989.4536	NA	PeJP	NA	NA
+PJ119202	PPVVMMMW 	C46H71N9O9S3	989.4537	NA	PeJP	NA	NA
+PJ119203	GNNQQHHR 	C38H59N19O13	989.454	NA	PeJP	NA	NA
+PJ119204	GGGGGGGAAHHR 	C38H59N19O13	989.4541	NA	PeJP	NA	NA
+PJ119205	SPQMRWW 	C46H63N13O10S	989.4542	NA	PeJP	NA	NA
+PJ119206	VQWWWW 	C54H59N11O8	989.4548	NA	PeJP	NA	NA
+PJ119207	GGLWWWW 	C54H59N11O8	989.4549	NA	PeJP	NA	NA
+PJ119208	TTTTTTTTY 	C41H67N9O19	989.4553	NA	PeJP	NA	NA
+PJ119209	VVKEEEEE 	C41H67N9O19	989.4554	NA	PeJP	NA	NA
+PJ119210	PLLQEEMM 	C42H71N9O14S2	989.4562	NA	PeJP	NA	NA
+PJ119211	NKEEERW 	C42H63N13O15	989.4567	NA	PeJP	NA	NA
+PJ119212	GCNNDRRR 	C35H63N19O13S	989.4574	NA	PeJP	NA	NA
+PJ119213	AAPQMMRW 	C43H67N13O10S2	989.4576	NA	PeJP	NA	NA
+PJ119214	GSPNHHRW 	C43H59N17O11	989.458	NA	PeJP	NA	NA
+PJ119215	GAEHHHFR 	C43H59N17O11	989.4581	NA	PeJP	NA	NA
+PJ119216	GPKMWWW 	C51H63N11O8S	989.4582	NA	PeJP	NA	NA
+PJ119217	SPNKEEMR 	C39H67N13O15S	989.4601	NA	PeJP	NA	NA
+PJ119218	VNKEEWW 	C47H63N11O13	989.4607	NA	PeJP	NA	NA
+PJ119219	ATLMMMHR 	C40H71N13O10S3	989.4609	NA	PeJP	NA	NA
+PJ119220	GAPPCKMMR 	C40H71N13O10S3	989.461	NA	PeJP	NA	NA
+PJ119221	NNNMRRW 	C40H63N17O11S	989.4614	NA	PeJP	NA	NA
+PJ119222	VQHHHFW 	C48H59N15O9	989.4621	NA	PeJP	NA	NA
+PJ119223	GSDDERRR 	C36H63N17O16	989.4639	NA	PeJP	NA	NA
+PJ119224	TTTTLMHW 	C44H67N11O13S	989.4641	NA	PeJP	NA	NA
+PJ119225	PPLEYWW 	C52H63N9O11	989.4647	NA	PeJP	NA	NA
+PJ119226	APPPEFFW 	C52H63N9O11	989.4648	NA	PeJP	NA	NA
+PJ119227	KMMMFFR 	C45H71N11O8S3	989.465	NA	PeJP	NA	NA
+PJ119228	SPCRRWW 	C45H63N15O9S	989.4654	NA	PeJP	NA	NA
+PJ119229	ARWWWW 	C53H59N13O7	989.4661	NA	PeJP	NA	NA
+PJ119230	SVLEEEER 	C40H67N11O18	989.4666	NA	PeJP	NA	NA
+PJ119231	PVVEEMMR 	C41H71N11O13S2	989.4675	NA	PeJP	NA	NA
+PJ119232	SQEERRW 	C41H63N15O14	989.4679	NA	PeJP	NA	NA
+PJ119233	GGGGGSKERW 	C41H63N15O14	989.468	NA	PeJP	NA	NA
+PJ119234	SLKMYYW 	C49H67N9O11S	989.4681	NA	PeJP	NA	NA
+PJ119235	PNMMRRW 	C42H67N15O9S2	989.4688	NA	PeJP	NA	NA
+PJ119236	GTKHHHHH 	C42H59N19O10	989.4693	NA	PeJP	NA	NA
+PJ119237	ATLLEEEW 	C45H67N9O16	989.4706	NA	PeJP	NA	NA
+PJ119238	AAQEEMRR 	C38H67N15O14S	989.4713	NA	PeJP	NA	NA
+PJ119239	APLLEMMW 	C46H71N9O11S2	989.4715	NA	PeJP	NA	NA
+PJ119240	SVQERWW 	C46H63N13O12	989.4719	NA	PeJP	NA	NA
+PJ119241	GKEERWW 	C46H63N13O12	989.472	NA	PeJP	NA	NA
+PJ119242	PPCCKMRR 	C39H71N15O9S3	989.4722	NA	PeJP	NA	NA
+PJ119243	GPCQHHRR 	C39H63N19O10S	989.4727	NA	PeJP	NA	NA
+PJ119244	AHHHFRW 	C47H59N17O8	989.4733	NA	PeJP	NA	NA
+PJ119245	VLLQEEEM 	C42H71N9O16S	989.474	NA	PeJP	NA	NA
+PJ119246	GPPTLLMMM 	C43H75N9O11S3	989.4749	NA	PeJP	NA	NA
+PJ119247	GSPKEMRW 	C43H67N13O12S	989.4753	NA	PeJP	NA	NA
+PJ119248	GGGGGGALKMW 	C43H67N13O12S	989.4754	NA	PeJP	NA	NA
+PJ119249	GVKEWWW 	C51H63N11O10	989.476	NA	PeJP	NA	NA
+PJ119250	GDKKEEER 	C39H67N13O17	989.4778	NA	PeJP	NA	NA
+PJ119251	GGGGGATKKEE 	C39H67N13O17	989.4779	NA	PeJP	NA	NA
+PJ119252	TTTLMMHR 	C40H71N13O12S2	989.4787	NA	PeJP	NA	NA
+PJ119253	SDDRRRW 	C40H63N17O13	989.4792	NA	PeJP	NA	NA
+PJ119254	VLQQMWW 	C48H67N11O10S	989.4793	NA	PeJP	NA	NA
+PJ119255	PDKKMWW 	C48H67N11O10S	989.4794	NA	PeJP	NA	NA
+PJ119256	VHFFFFF 	C56H63N9O8	989.48	NA	PeJP	NA	NA
+PJ119257	SSPKKEEW 	C44H67N11O15	989.4818	NA	PeJP	NA	NA
+PJ119258	AAKKEEEW 	C44H67N11O15	989.4819	NA	PeJP	NA	NA
+PJ119259	NEEMRRR 	C37H67N17O13S	989.4825	NA	PeJP	NA	NA
+PJ119260	GGEEMRRR 	C37H67N17O13S	989.4826	NA	PeJP	NA	NA
+PJ119261	GPLQKMMW 	C45H71N11O10S2	989.4827	NA	PeJP	NA	NA
+PJ119262	GTERRWW 	C45H63N15O11	989.4832	NA	PeJP	NA	NA
+PJ119263	CLKFFFW 	C53H67N9O8S	989.4834	NA	PeJP	NA	NA
+PJ119264	ALLEEEMR 	C41H71N11O15S	989.4852	NA	PeJP	NA	NA
+PJ119265	SPPVLEYW 	C49H67N9O13	989.4859	NA	PeJP	NA	NA
+PJ119266	SLLKMMMH 	C42H75N11O10S3	989.4861	NA	PeJP	NA	NA
+PJ119267	NQQKMRW 	C42H67N15O11S	989.4865	NA	PeJP	NA	NA
+PJ119268	VNEMRRW 	C42H67N15O11S	989.4866	NA	PeJP	NA	NA
+PJ119269	KERWWW 	C50H63N13O9	989.4872	NA	PeJP	NA	NA
+PJ119270	SSQQQKER 	C38H67N15O16	989.489	NA	PeJP	NA	NA
+PJ119271	GSKEEERR 	C38H67N15O16	989.4891	NA	PeJP	NA	NA
+PJ119272	PTTLLEMW 	C46H71N9O13S	989.4892	NA	PeJP	NA	NA
+PJ119273	GLLLEEMW 	C46H71N9O13S	989.4893	NA	PeJP	NA	NA
+C05774	Cobinamide	C48H72CoN11O8	989.4897	NA	KEGG	NA	NA
+MetaCyc04360	cobinamide [Cbi;cobyrinic acid a,c-diamide;]	C48H72N11O8COBALT1	989.489734	1867-62-5	metacyc	NA	NA
+HMDB06902	Cobinamide	C48H72CoN11O8	989.489746	NA	HMDB2010	NA	NA
+HMDB06902	Cobinamide	C48H72CoN11O8	989.48975	http://www.hmdb.ca/metabolites/HMDB06902	HMDB	NA	NA
+HMDB06902	Cobinamide	C48H72CoN11O8	989.48975	HMDB06902	PFEM_hmdb_metabocards_official	NA	NA
+PJ119274	GPDKMMRR 	C39H71N15O11S2	989.4899	NA	PeJP	NA	NA
+PJ119275	GGGGPCKKMR 	C39H71N15O11S2	989.49	NA	PeJP	NA	NA
+PJ119276	QQEHHRR 	C39H63N19O12	989.4904	NA	PeJP	NA	NA
+PJ119277	SPKMRWW 	C47H67N13O9S	989.4906	NA	PeJP	NA	NA
+PJ119278	VKWWWW 	C55H63N11O7	989.4912	NA	PeJP	NA	NA
+PJ119279	SVVVVTEEE 	C42H71N9O18	989.4917	NA	PeJP	NA	NA
+PJ119280	TLLKEEEE 	C42H71N9O18	989.4918	NA	PeJP	NA	NA
+PJ119281	PLLKEEMM 	C43H75N9O13S2	989.4926	NA	PeJP	NA	NA
+PJ119282	DKKEERW 	C43H67N13O14	989.4931	NA	PeJP	NA	NA
+PJ119283	CDERRRR 	C36H67N19O12S	989.4938	NA	PeJP	NA	NA
+PJ119284	AAPKMMRW 	C44H71N13O9S2	989.494	NA	PeJP	NA	NA
+PJ119285	VQQHHRW 	C44H63N17O10	989.4944	NA	PeJP	NA	NA
+PJ119286	SVLQQEMR 	C40H71N13O14S	989.4964	NA	PeJP	NA	NA
+PJ119287	GLQKEEMR 	C40H71N13O14S	989.4965	NA	PeJP	NA	NA
+PJ119288	VDKKEWW 	C48H67N11O12	989.4971	NA	PeJP	NA	NA
+PJ119289	PPCKKMMR 	C41H75N13O9S3	989.4973	NA	PeJP	NA	NA
+PJ119290	GEMRRRW 	C41H67N17O10S	989.4978	NA	PeJP	NA	NA
+PJ119291	TRRWWW 	C49H63N15O8	989.4984	NA	PeJP	NA	NA
+PJ119292	GSTEERRR 	C37H67N17O15	989.5003	NA	PeJP	NA	NA
+PJ119293	APTKKEMW 	C45H71N11O12S	989.5005	NA	PeJP	NA	NA
+PJ119294	PLLEFWW 	C53H67N9O10	989.5011	NA	PeJP	NA	NA
+PJ119295	GSPMMRRR 	C38H71N17O10S2	989.5012	NA	PeJP	NA	NA
+PJ119296	NDHHRRR 	C38H63N21O11	989.5016	NA	PeJP	NA	NA
+PJ119297	GGDHHRRR 	C38H63N21O11	989.5017	NA	PeJP	NA	NA
+PJ119298	GVMRRWW 	C46H67N15O8S	989.5018	NA	PeJP	NA	NA
+PJ119299	TTLLEEER 	C41H71N11O17	989.503	NA	PeJP	NA	NA
+7442	coeliac toxic peptide	PLVQQQFLGQQQPFPPQ	989.5035	MH2+	Inhouse_peptide	NA	peptide
+PJ119300	ASPPTKKMM 	C42H75N11O12S2	989.5038	NA	PeJP	NA	NA
+PJ119301	PTLLEMMR 	C42H75N11O12S2	989.5039	NA	PeJP	NA	NA
+PJ119302	SKEERRW 	C42H67N15O13	989.5043	NA	PeJP	NA	NA
+PJ119303	GGGGGGGGVLFR 	C42H67N15O13	989.5044	NA	PeJP	NA	NA
+PJ119304	LLLEMWW 	C50H71N9O10S	989.5045	NA	PeJP	NA	NA
+PJ119305	LMMHFRR 	C43H71N15O8S2	989.5052	NA	PeJP	NA	NA
+PJ119306	AQHHRRW 	C43H63N19O9	989.5057	NA	PeJP	NA	NA
+PJ119307	STLLLEEW 	C46H71N9O15	989.507	NA	PeJP	NA	NA
+PJ119308	AAKEEMRR 	C39H71N15O13S	989.5077	NA	PeJP	NA	NA
+PJ119309	SPLLLMMW 	C47H75N9O10S2	989.5079	NA	PeJP	NA	NA
+PJ119310	SVKERWW 	C47H67N13O11	989.5083	NA	PeJP	NA	NA
+PJ119311	GGGATKKWW 	C47H67N13O11	989.5084	NA	PeJP	NA	NA
+PJ119312	GPCKHHRR 	C40H67N19O9S	989.509	NA	PeJP	NA	NA
+PJ119313	VLLKEEEM 	C43H75N9O15S	989.5104	NA	PeJP	NA	NA
+PJ119314	AAPLLLMMM 	C44H79N9O10S3	989.5112	NA	PeJP	NA	NA
+PJ119315	GPVVLLMMM 	C44H79N9O10S3	989.5113	NA	PeJP	NA	NA
+PJ119316	SSSNQRRR 	C36H67N19O14	989.5115	NA	PeJP	NA	NA
+PJ119317	LQKEMRW 	C44H71N13O11S	989.5117	NA	PeJP	NA	NA
+PJ119318	ATLKWWW 	C52H67N11O9	989.5124	NA	PeJP	NA	NA
+PJ119319	MRRRWW 	C45H67N17O7S	989.5131	NA	PeJP	NA	NA
+PJ119320	ATKKEEER 	C40H71N13O16	989.5142	NA	PeJP	NA	NA
+PJ119321	APKKEMMR 	C41H75N13O11S2	989.5151	NA	PeJP	NA	NA
+PJ119322	QQQQFRR 	C41H67N17O12	989.5155	NA	PeJP	NA	NA
+PJ119323	STERRRW 	C41H67N17O12	989.5156	NA	PeJP	NA	NA
+PJ119324	VLQKMWW 	C49H71N11O9S	989.5157	NA	PeJP	NA	NA
+MJ099181	Glysperin A 	C44H75N7O18	989.516858	NA	MeJP	NA	NA
+PJ119325	GTLKKEEW 	C45H71N11O14	989.5182	NA	PeJP	NA	NA
+PJ119326	GGGGPLLKEY 	C45H71N11O14	989.5183	NA	PeJP	NA	NA
+PJ119327	DKEMRRR 	C38H71N17O12S	989.5189	NA	PeJP	NA	NA
+PJ119328	GPLKKMMW 	C46H75N11O9S2	989.5191	NA	PeJP	NA	NA
+PJ119329	SSLRRWW 	C46H67N15O10	989.5196	NA	PeJP	NA	NA
+PJ119330	SLLLEEMR 	C42H75N11O14S	989.5216	NA	PeJP	NA	NA
+PJ119331	LLQKYYY 	C50H71N9O12	989.5222	NA	PeJP	NA	NA
+PJ119332	GPLLLEYW 	C50H71N9O12	989.5223	NA	PeJP	NA	NA
+PJ119333	PVLLMMMR 	C43H79N11O9S3	989.5225	NA	PeJP	NA	NA
+PJ119334	VDKMRRW 	C43H71N15O10S	989.5229	NA	PeJP	NA	NA
+PJ119335	GATLMRRW 	C43H71N15O10S	989.523	NA	PeJP	NA	NA
+PJ119336	APKFRWW 	C51H67N13O8	989.5236	NA	PeJP	NA	NA
+PJ119337	SSVKEERR 	C39H71N15O15	989.5254	NA	PeJP	NA	NA
+PJ119338	ATTKEERR 	C39H71N15O15	989.5255	NA	PeJP	NA	NA
+PJ119339	SVLLLEMW 	C47H75N9O12S	989.5256	NA	PeJP	NA	NA
+PJ119340	APTKMMRR 	C40H75N15O10S2	989.5263	NA	PeJP	NA	NA
+PJ119341	NNQFRRR 	C40H67N19O11	989.5268	NA	PeJP	NA	NA
+PJ119342	ALKMRWW 	C48H71N13O8S	989.527	NA	PeJP	NA	NA
+PJ119343	SSSLLLLEE 	C43H75N9O17	989.5281	NA	PeJP	NA	NA
+PJ119344	LLLLQEMM 	C44H79N9O12S2	989.529	NA	PeJP	NA	NA
+PJ119345	GTTLKERW 	C44H71N13O13	989.5295	NA	PeJP	NA	NA
+PJ119346	SEMRRRR 	C37H71N19O11S	989.5302	NA	PeJP	NA	NA
+PJ119347	GPRRRYW 	C45H67N17O9	989.5308	NA	PeJP	NA	NA
+PJ119348	PTTKKEMR 	C41H75N13O13S	989.5328	NA	PeJP	NA	NA
+PJ119349	GLKKEEMR 	C41H75N13O13S	989.5329	NA	PeJP	NA	NA
+PJ119350	TLKKEWW 	C49H71N11O11	989.5335	NA	PeJP	NA	NA
+PJ119351	SVMRRRW 	C42H71N17O9S	989.5342	NA	PeJP	NA	NA
+MJ099182	Pregn-5-ene-3,8,12,14,17,20-hexol, 20-O-(2-Methylaminobenzoyl), 12-Ac, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C52H79NO17	989.5348	NA	MeJP	NA	NA
+PJ119352	SSSLERRR 	C38H71N17O14	989.5367	NA	PeJP	NA	NA
+PJ119353	GVLKKEMW 	C46H75N11O11S	989.5369	NA	PeJP	NA	NA
+PJ119354	PLLLYWW 	C54H71N9O9	989.5375	NA	PeJP	NA	NA
+PJ119355	LQMMRRR 	C39H75N17O9S2	989.5376	NA	PeJP	NA	NA
+PJ119356	TQHHRRR 	C39H67N21O10	989.538	NA	PeJP	NA	NA
+PJ119357	SSTTLLLQQ 	C42H75N11O16	989.5393	NA	PeJP	NA	NA
+PJ119358	SLKKKEEE 	C42H75N11O16	989.5394	NA	PeJP	NA	NA
+PJ119359	VVLLEMMR 	C43H79N11O11S2	989.5402	NA	PeJP	NA	NA
+PJ119360	GGGALLLKMM 	C43H79N11O11S2	989.5403	NA	PeJP	NA	NA
+PJ119361	GTTTLRRW 	C43H71N15O12	989.5407	NA	PeJP	NA	NA
+PJ119362	APLLLMFW 	C51H75N9O9S	989.5409	NA	PeJP	NA	NA
+PJ119363	AKHHRRW 	C44H67N19O8	989.542	NA	PeJP	NA	NA
+PJ119364	PVLLKEEY 	C47H75N9O14	989.5434	NA	PeJP	NA	NA
+PJ119365	GTLKEMRR 	C40H75N15O12S	989.5441	NA	PeJP	NA	NA
+PJ119366	ALLLLMMW 	C48H79N9O9S2	989.5443	NA	PeJP	NA	NA
+PJ119367	TTLKRWW 	C48H71N13O10	989.5447	NA	PeJP	NA	NA
+PJ119368	PCFRRRR 	C41H71N19O8S	989.5454	NA	PeJP	NA	NA
+PJ119369	GTTLLLLEM 	C44H79N9O14S	989.5468	NA	PeJP	NA	NA
+PJ119370	SSSNKRRR 	C37H71N19O13	989.5479	NA	PeJP	NA	NA
+PJ119371	LKKEMRW 	C45H75N13O10S	989.5481	NA	PeJP	NA	NA
+PJ119372	PVKKFWW 	C53H71N11O8	989.5488	NA	PeJP	NA	NA
+PJ119373	STLKKEER 	C41H75N13O15	989.5506	NA	PeJP	NA	NA
+PJ119374	SPLKKMMR 	C42H79N13O10S2	989.5515	NA	PeJP	NA	NA
+PJ119375	PDKRRRY 	C42H71N17O11	989.5519	NA	PeJP	NA	NA
+PJ119376	GGLEFRRR 	C42H71N17O11	989.552	NA	PeJP	NA	NA
+PJ119377	VLKKMWW 	C50H75N11O8S	989.5521	NA	PeJP	NA	NA
+PJ119378	SSLLKKEW 	C46H75N11O13	989.5546	NA	PeJP	NA	NA
+PJ119379	GTTLMRRR 	C39H75N17O11S	989.5553	NA	PeJP	NA	NA
+PJ119380	PTKFRRW 	C47H71N15O9	989.556	NA	PeJP	NA	NA
+PJ119381	VVKKKEEM 	C43H79N11O13S	989.558	NA	PeJP	NA	NA
+PJ119382	SPVLLLYW 	C51H75N9O11	989.5586	NA	PeJP	NA	NA
+PJ119383	GLLLLEFW 	C51H75N9O11	989.5587	NA	PeJP	NA	NA
+PJ119384	TLKMRRW 	C44H75N15O9S	989.5593	NA	PeJP	NA	NA
+PJ119385	STTLKERR 	C40H75N15O14	989.5618	NA	PeJP	NA	NA
+PJ119386	GGGGGSSKKKK 	C40H75N15O14	989.5619	NA	PeJP	NA	NA
+PJ119387	TTLLLLMW 	C48H79N9O11S	989.562	NA	PeJP	NA	NA
+PJ119388	GVLKMMRR 	C41H79N15O9S2	989.5627	NA	PeJP	NA	NA
+C15183	AP 23573	C53H84NO14P	989.5629	NA	KEGG	NA	NA
+PJ119389	SPRRRRY 	C41H71N19O10	989.5632	NA	PeJP	NA	NA
+PJ119390	STTTLLLLE 	C44H79N9O16	989.5645	NA	PeJP	NA	NA
+PJ119391	LLLLKEMM 	C45H83N9O11S2	989.5654	NA	PeJP	NA	NA
+PJ119392	ATTQKKKW 	C45H75N13O12	989.5658	NA	PeJP	NA	NA
+PJ119393	SSTLLKRW 	C45H75N13O12	989.5659	NA	PeJP	NA	NA
+PJ119394	GSCKKRRR 	C38H75N19O10S	989.5666	NA	PeJP	NA	NA
+PJ119395	GLFRRRW 	C46H71N17O8	989.5672	NA	PeJP	NA	NA
+PJ119396	SVLKKEMR 	C42H79N13O12S	989.5692	NA	PeJP	NA	NA
+PJ119397	GPVLKKYW 	C50H75N11O10	989.5699	NA	PeJP	NA	NA
+PJ119398	PKMFRRR 	C43H75N17O8S	989.5706	NA	PeJP	NA	NA
+PJ119399	STTTLRRR 	C39H75N17O13	989.5731	NA	PeJP	NA	NA
+PJ119400	ATLLKKMW 	C47H79N11O10S	989.5733	NA	PeJP	NA	NA
+PJ119401	LLLLFWW 	C55H75N9O8	989.5739	NA	PeJP	NA	NA
+PJ119402	TKHHRRR 	C40H71N21O9	989.5744	NA	PeJP	NA	NA
+2586	tenecin-1 (33-43)	YCNGKRVCVCR~	989.5749	NA	Inhouse_peptide	NA	peptide
+PJ119403	GTTTLLKKE 	C43H79N11O15	989.5757	NA	PeJP	NA	NA
+PJ119404	ASTTLLKKE 	C43H79N11O15	989.5758	NA	PeJP	NA	NA
+PJ119405	TLLLLMMR 	C44H83N11O10S2	989.5766	NA	PeJP	NA	NA
+PJ119406	GSTKKKRW 	C44H75N15O11	989.5771	NA	PeJP	NA	NA
+PJ119407	VLLLLQEY 	C48H79N9O13	989.5798	NA	PeJP	NA	NA
+PJ119408	SSLLKMRR 	C41H79N15O11S	989.5805	NA	PeJP	NA	NA
+PJ119409	SKKKKWW 	C49H75N13O9	989.5811	NA	PeJP	NA	NA
+PJ119410	SSTLLLLLM 	C45H83N9O13S	989.5831	NA	PeJP	NA	NA
+PJ119411	AAKKKKMW 	C46H79N13O9S	989.5845	NA	PeJP	NA	NA
+PJ119412	SSSSLLLKR 	C42H79N13O14	989.587	NA	PeJP	NA	NA
+PJ119413	ALLKKMMR 	C43H83N13O9S2	989.5879	NA	PeJP	NA	NA
+PJ119414	VLQRRRY 	C43H75N17O10	989.5883	NA	PeJP	NA	NA
+PJ119415	TTTLLKKW 	C47H79N11O12	989.591	NA	PeJP	NA	NA
+PJ119416	GSKKKMRR 	C40H79N17O10S	989.5917	NA	PeJP	NA	NA
+PJ119417	VVKFRRW 	C48H75N15O8	989.5923	NA	PeJP	NA	NA
+PJ119418	TLLKKKEM 	C44H83N11O12S	989.5944	NA	PeJP	NA	NA
+PJ119419	GLLLLLYW 	C52H79N9O10	989.595	NA	PeJP	NA	NA
+PJ119420	SSKKKKER 	C41H79N15O13	989.5982	NA	PeJP	NA	NA
+PJ119421	PLLLLKMY 	C49H83N9O10S	989.5984	NA	PeJP	NA	NA
+PJ119422	ALRRRRY 	C42H75N19O9	989.5996	NA	PeJP	NA	NA
+PJ119423	ATTKKKKW 	C46H79N13O11	989.6022	NA	PeJP	NA	NA
+PJ119424	GGALLLKRY 	C46H79N13O11	989.6023	NA	PeJP	NA	NA
+PJ119425	TTLLKKMR 	C43H83N13O11S	989.6056	NA	PeJP	NA	NA
+PJ119426	GVLLKKFW 	C51H79N11O9	989.6063	NA	PeJP	NA	NA
+MJ099183	Sphinxolide A 	C54H87NO15	989.607571	NA	MeJP	NA	NA
+PJ119427	SSTKKKRR 	C40H79N17O12	989.6095	NA	PeJP	NA	NA
+PJ119428	VVLLLMFR 	C48H83N11O9S	989.6096	NA	PeJP	NA	NA
+PJ119429	PLHRRRR 	C41H75N21O8	989.6108	NA	PeJP	NA	NA
+PJ119430	SSTTLLLKK 	C44H83N11O14	989.6121	NA	PeJP	NA	NA
+PJ119431	VLLKKKMM 	C45H87N11O9S2	989.613	NA	PeJP	NA	NA
+PJ119432	AALLKRRY 	C45H79N15O10	989.6135	NA	PeJP	NA	NA
+PJ119433	VLLLLKEY 	C49H83N9O12	989.6162	NA	PeJP	NA	NA
+PJ119434	SCLKKKKR 	C42H83N15O10S	989.6168	NA	PeJP	NA	NA
+PJ119435	ATKKKKMR 	C42H83N15O10S	989.6169	NA	PeJP	NA	NA
+PJ119436	LLKKFRW 	C50H79N13O8	989.6175	NA	PeJP	NA	NA
+PJ119437	TTKKKKKE 	C43H83N13O13	989.6234	NA	PeJP	NA	NA
+PJ119438	VLKRRRY 	C44H79N17O9	989.6247	NA	PeJP	NA	NA
+PJ119439	SLLLLLRY 	C48H83N11O11	989.6274	NA	PeJP	NA	NA
+PJ119440	PLLLLKFF 	C53H83N9O9	989.6314	NA	PeJP	NA	NA
+PJ119441	TTTKKKKR 	C42H83N15O12	989.6346	NA	PeJP	NA	NA
+PJ119442	LLLLLKMF 	C50H87N9O9S	989.6348	NA	PeJP	NA	NA
+PJ119443	GLLLKKRY 	C47H83N13O10	989.6386	NA	PeJP	NA	NA
+PJ119444	SLKKKKKM 	C44H87N13O10S	989.642	NA	PeJP	NA	NA
+PJ119445	GVKKKKFR 	C46H83N15O9	989.6499	NA	PeJP	NA	NA
+PJ119446	KKKKFRR 	C45H83N17O8	989.6611	NA	PeJP	NA	NA
+PJ119447	VVLLKKKY 	C49H87N11O10	989.6638	NA	PeJP	NA	NA
+PJ119448	LLLLLLHR 	C48H87N13O9	989.675	NA	PeJP	NA	NA
+PJ119449	PPVLLLLLL 	C51H91N9O10	989.6889	NA	PeJP	NA	NA
+PJ119450	CCCCCCCNH 	C31H50N12O11S7	990.1767	NA	PeJP	NA	NA
+PJ119451	GGCCCCCCCH 	C31H50N12O11S7	990.1768	NA	PeJP	NA	NA
+FL3FACGS0085	Luteorin 7-(2''-feruloylglucuronosyl)-(1->2)-glucuronide-4'-glucuronide;2-[4-(beta-D-Glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranuronosyl]-beta-D-glucopyranosiduronic acid	C43H42O27	990.19134	332422-35-2	knapsack	NA	NA
+PJ119452	GPPCCCCCCC 	C33H54N10O11S7	990.2019	NA	PeJP	NA	NA
+PJ119453	CCCCCNNND 	C31H50N12O15S5	990.2123	NA	PeJP	NA	NA
+PJ119454	SCCCCNDDE 	C32H50N10O18S4	990.2188	NA	PeJP	NA	NA
+PJ119455	PCCCCCNDM 	C33H54N10O13S6	990.2197	NA	PeJP	NA	NA
+PJ119456	CCCCCMYY 	C38H54N8O11S6	990.2237	NA	PeJP	NA	NA
+PJ119457	GSCCCCDDW 	C36H50N10O15S4	990.234	NA	PeJP	NA	NA
+PJ119458	APCCCCCCW 	C37H54N10O10S6	990.2349	NA	PeJP	NA	NA
+PJ119459	GSSSCCCDDD 	C32H50N10O20S3	990.2365	NA	PeJP	NA	NA
+PJ119460	GCCCNDDMM 	C33H54N10O15S5	990.2374	NA	PeJP	NA	NA
+PJ119461	GCCCCCDER 	C32H54N12O14S5	990.2486	NA	PeJP	NA	NA
+PJ119462	ACCCCCDDR 	C32H54N12O14S5	990.2487	NA	PeJP	NA	NA
+PJ119463	GCCCNDDDF 	C36H50N10O17S3	990.2518	NA	PeJP	NA	NA
+PJ119464	CCCCNEMW 	C37H54N10O12S5	990.2527	NA	PeJP	NA	NA
+PJ119465	SSCCCNDEM 	C33H54N10O17S4	990.2552	NA	PeJP	NA	NA
+PJ119466	SPCCCCNMM 	C34H58N10O12S6	990.256	NA	PeJP	NA	NA
+PJ119467	GCCCCNDHH 	C34H50N14O13S4	990.2565	NA	PeJP	NA	NA
+PJ119468	CCCCCFFY 	C42H54N8O10S5	990.2567	NA	PeJP	NA	NA
+PJ119469	CDDDDDMY 	C37H50N8O20S2	990.2583	NA	PeJP	NA	NA
+PJ119470	CDDDMMMM 	C35H58N8O15S5	990.2626	NA	PeJP	NA	NA
+PJ119471	CCCCCDRW 	C36H54N12O11S5	990.2639	NA	PeJP	NA	NA
+PJ119472	SSCCCCDDR 	C32H54N12O16S4	990.2664	NA	PeJP	NA	NA
+PJ119473	PTCCCCCCR 	C33H58N12O11S6	990.2673	NA	PeJP	NA	NA
+PJ119474	GCCCCMWW 	C41H54N10O9S5	990.2679	NA	PeJP	NA	NA
+PJ119475	GSCCNDDDY 	C36H50N10O19S2	990.2696	NA	PeJP	NA	NA
+PJ119476	GSSCCCDMW 	C37H54N10O14S4	990.2704	NA	PeJP	NA	NA
+PJ119477	GSSSSCCDDM 	C33H54N10O19S3	990.2729	NA	PeJP	NA	NA
+PJ119478	GSCCNDMMM 	C34H58N10O14S5	990.2738	NA	PeJP	NA	NA
+PJ119479	ACCCCYYY 	C42H54N8O12S4	990.2744	NA	PeJP	NA	NA
+PJ119480	CDDDDMMF 	C38H54N8O17S3	990.277	NA	PeJP	NA	NA
+MJ099184	Namenamicin 	C43H62N2O14S5	990.280458	NA	MeJP	NA	NA
+PJ119481	ACCCCNNNF 	C36H54N12O13S4	990.2816	NA	PeJP	NA	NA
+PJ119482	GCCCCNNQF 	C36H54N12O13S4	990.2817	NA	PeJP	NA	NA
+PJ119483	SSSSSCCCNN 	C32H54N12O18S3	990.2841	NA	PeJP	NA	NA
+PJ119484	GGSSSSSCCCN 	C32H54N12O18S3	990.2842	NA	PeJP	NA	NA
+PJ119485	GSCCCCEMR 	C33H58N12O13S5	990.285	NA	PeJP	NA	NA
+PJ119486	STCCCCWW 	C41H54N10O11S4	990.2857	NA	PeJP	NA	NA
+PJ119487	DDDDDEMH 	C36H50N10O21S	990.2873	NA	PeJP	NA	NA
+PJ119488	SSSSCCCEW 	C37H54N10O16S3	990.2882	NA	PeJP	NA	NA
+PJ119489	SCCCQMMW 	C38H58N10O11S5	990.289	NA	PeJP	NA	NA
+PJ119490	GGTCCCMMW 	C38H58N10O11S5	990.2891	NA	PeJP	NA	NA
+PJ119491	SSSSSSCCDE 	C33H54N10O21S2	990.2907	NA	PeJP	NA	NA
+PJ119492	CDDDDDFF 	C41H50N8O19S	990.2913	NA	PeJP	NA	NA
+PJ119493	SSSCCNEMM 	C34H58N10O16S4	990.2915	NA	PeJP	NA	NA
+PJ119494	GGSSSCCEMM 	C34H58N10O16S4	990.2916	NA	PeJP	NA	NA
+PJ119495	GCCNNNDDH 	C34H50N14O17S2	990.292	NA	PeJP	NA	NA
+PJ119496	GGGGGGGCCDDH 	C34H50N14O17S2	990.2921	NA	PeJP	NA	NA
+PJ119497	SSCCCYYY 	C42H54N8O14S3	990.2922	NA	PeJP	NA	NA
+PJ119498	CCNQMMMM 	C35H62N10O11S6	990.2924	NA	PeJP	NA	NA
+PJ119499	GSCCCNMHH 	C35H54N14O12S4	990.2929	NA	PeJP	NA	NA
+PJ119500	SDDDDMMY 	C38H54N8O19S2	990.2947	NA	PeJP	NA	NA
+PJ119501	PCCDEMMY 	C39H58N8O14S4	990.2956	NA	PeJP	NA	NA
+PJ119502	CCDDDHHF 	C39H50N12O15S2	990.2961	NA	PeJP	NA	NA
+PJ119503	ASCNDDDDH 	C35H50N12O20S	990.2985	NA	PeJP	NA	NA
+PJ119504	GSCNDDDEH 	C35H50N12O20S	990.2986	NA	PeJP	NA	NA
+PJ119505	SDDMMMMM 	C36H62N8O14S5	990.2989	NA	PeJP	NA	NA
+PJ119506	CCCNDDRY 	C36H54N12O15S3	990.2994	NA	PeJP	NA	NA
+PJ119507	SCCCCMRW 	C37H58N12O10S5	990.3003	NA	PeJP	NA	NA
+PJ119508	CCCDHHHH 	C37H50N16O11S3	990.3008	NA	PeJP	NA	NA
+PJ119509	SSSCCCDMR 	C33H58N12O15S4	990.3028	NA	PeJP	NA	NA
+PJ119510	GCCNDMYW 	C41H54N10O13S3	990.3034	NA	PeJP	NA	NA
+PJ119511	CCCNMMMR 	C34H62N12O10S6	990.3037	NA	PeJP	NA	NA
+PJ119512	GPNDDDDDE 	C36H50N10O23	990.3051	NA	PeJP	NA	NA
+PJ119513	GSSCNDDMY 	C37H54N10O18S2	990.3059	NA	PeJP	NA	NA
+PJ119514	GSSSCCMMW 	C38H58N10O13S4	990.3068	NA	PeJP	NA	NA
+PJ119515	GDDDDEYY 	C41H50N8O21	990.3091	NA	PeJP	NA	NA
+PJ119516	GSSSSSCDMM 	C34H58N10O18S3	990.3093	NA	PeJP	NA	NA
+PJ119517	PCCDDEFY 	C42H54N8O16S2	990.31	NA	PeJP	NA	NA
+PJ119518	GSSCNMMMM 	C35H62N10O13S5	990.3102	NA	PeJP	NA	NA
+PJ119519	SSSCCCQHH 	C35H54N14O14S3	990.3106	NA	PeJP	NA	NA
+PJ119520	GGSSTCCCHH 	C35H54N14O14S3	990.3107	NA	PeJP	NA	NA
+PJ119521	GDDEMMMY 	C39H58N8O16S3	990.3133	NA	PeJP	NA	NA
+PJ119522	SCNDDDHW 	C39H50N12O17S	990.3138	NA	PeJP	NA	NA
+PJ119523	PCCEMMMF 	C40H62N8O11S5	990.3142	NA	PeJP	NA	NA
+PJ119524	PCCCNEHW 	C40H54N12O12S3	990.3147	NA	PeJP	NA	NA
+PJ119525	SSSNDDDDH 	C35H50N12O22	990.3163	NA	PeJP	NA	NA
+PJ119526	SSSCCNNNY 	C36H54N12O17S2	990.3172	NA	PeJP	NA	NA
+PJ119527	GEMMMMMM 	C37H66N8O11S6	990.3176	NA	PeJP	NA	NA
+PJ119528	GSPCCCCRY 	C37H58N12O12S4	990.318	NA	PeJP	NA	NA
+PJ119529	GGCCCDMFR 	C37H58N12O12S4	990.3181	NA	PeJP	NA	NA
+PJ119530	CCCQYWW 	C45H54N10O10S3	990.3187	NA	PeJP	NA	NA
+PJ119531	PNDDDDDW 	C40H50N10O20	990.3203	NA	PeJP	NA	NA
+PJ119532	SSCCNEYW 	C41H54N10O15S2	990.3212	NA	PeJP	NA	NA
+PJ119533	GSTCCCMMR 	C34H62N12O12S5	990.3214	NA	PeJP	NA	NA
+PJ119534	GCCNMMFW 	C42H58N10O10S4	990.3221	NA	PeJP	NA	NA
+PJ119535	SSSSCNDEY 	C37H54N10O20S	990.3237	NA	PeJP	NA	NA
+PJ119536	DDDDYYW 	C45H50N8O18	990.3243	NA	PeJP	NA	NA
+PJ119537	SSSSTCCMW 	C38H58N10O15S3	990.3246	NA	PeJP	NA	NA
+PJ119538	CCNYYYY 	C46H54N8O13S2	990.3252	NA	PeJP	NA	NA
+PJ119539	SCCCKMMW 	C39H62N10O10S5	990.3254	NA	PeJP	NA	NA
+PJ119540	CCCNQHHF 	C39H54N14O11S3	990.3259	NA	PeJP	NA	NA
+PJ119541	SSSSSSSCEM 	C34H58N10O20S2	990.3271	NA	PeJP	NA	NA
+C01936	Maltohexaose	C36H62O31	990.3275	NA	KEGG	NA	NA
+C06217	Cellohexaose	C36H62O31	990.3275	NA	KEGG	NA	NA
+C08238	alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-	C36H62O31	990.3275	NA	KEGG	NA	NA
+PJ119542	GNNNNNDDD 	C34H50N14O21	990.3275	NA	PeJP	NA	NA
+MJ099185	Ajugose 	C36H62O31	990.327505	NA	MeJP	NA	NA
+MJ099186	Cellohexaose 	C36H62O31	990.327505	NA	MeJP	NA	NA
+MJ099187	Kojihexaose 	C36H62O31	990.327505	NA	MeJP	NA	NA
+MJ099188	Lasiose 	C36H62O31	990.327505	NA	MeJP	NA	NA
+MJ099189	Cellohexaose 	C36H62O31	990.327505	NA	MeJP	NA	NA
+MetaCyc04361	maltohexaose []	C36H62O31	990.327505	34620-77-4	metacyc	NA	NA
+HMDB12253	Maltohexaose	C36H62O31	990.327515	NA	HMDB2010	NA	NA
+PJ119543	GGGGGNNNDDD 	C34H50N14O21	990.3276	NA	PeJP	NA	NA
+PJ119544	SPCDDEYY 	C42H54N8O18S	990.3277	NA	PeJP	NA	NA
+PJ119545	SSSSCQMMM 	C35H62N10O15S4	990.3279	NA	PeJP	NA	NA
+PJ119546	CCNDDEHR 	C35H54N14O16S2	990.3284	NA	PeJP	NA	NA
+PJ119547	DDMMMYW 	C43H58N8O13S3	990.3286	NA	PeJP	NA	NA
+PJ119548	CCNKMMMM 	C36H66N10O10S6	990.3288	NA	PeJP	NA	NA
+PJ119549	GTCCCCKHH 	C36H58N14O11S4	990.3293	NA	PeJP	NA	NA
+PJ119550	GPCCCHWW 	C44H54N12O9S3	990.3299	NA	PeJP	NA	NA
+PJ119551	PDDEEEEE 	C38H54N8O23	990.3302	NA	PeJP	NA	NA
+PJ119552	SSDEEMMY 	C39H58N8O18S2	990.3311	NA	PeJP	NA	NA
+PJ119553	NNDDDDHF 	C39H50N12O19	990.3316	NA	PeJP	NA	NA
+PJ119554	SPCEMMMY 	C40H62N8O13S4	990.3319	NA	PeJP	NA	NA
+PJ119555	PTCDMMMY 	C40H62N8O13S4	990.332	NA	PeJP	NA	NA
+PJ119556	GCNDEMHW 	C40H54N12O14S2	990.3324	NA	PeJP	NA	NA
+PJ119557	GGGGGGGGCCFY 	C40H54N12O14S2	990.3325	NA	PeJP	NA	NA
+PJ119558	MMMMMMW 	C41H66N8O8S6	990.3328	NA	PeJP	NA	NA
+PJ119559	ACCCCFRW 	C41H58N12O9S4	990.3333	NA	PeJP	NA	NA
+PJ119560	GSSNDDEMH 	C36H54N12O19S	990.3349	NA	PeJP	NA	NA
+PJ119561	GGGGGPNDDDM 	C36H54N12O19S	990.335	NA	PeJP	NA	NA
+PJ119562	STEMMMMM 	C37H66N8O13S5	990.3353	NA	PeJP	NA	NA
+PJ119563	SCCNDMRY 	C37H58N12O14S3	990.3358	NA	PeJP	NA	NA
+PJ119564	CNNDDHHH 	C37H50N16O15S	990.3363	NA	PeJP	NA	NA
+PJ119565	GSSCCYWW 	C45H54N10O12S2	990.3364	NA	PeJP	NA	NA
+PJ119566	GCCNDFFW 	C45H54N10O12S2	990.3365	NA	PeJP	NA	NA
+PJ119567	ACMMMMHH 	C38H62N12O9S5	990.3367	NA	PeJP	NA	NA
+PJ119568	SCCMHHHH 	C38H54N16O10S3	990.3371	NA	PeJP	NA	NA
+PJ119569	GSSSSCDYW 	C41H54N10O17S	990.3389	NA	PeJP	NA	NA
+PJ119570	GSPPCDDDW 	C41H54N10O17S	990.339	NA	PeJP	NA	NA
+PJ119571	SSSSCCMMR 	C34H62N12O14S4	990.3392	NA	PeJP	NA	NA
+PJ119572	GSCNMMYW 	C42H58N10O12S3	990.3398	NA	PeJP	NA	NA
+PJ119573	GSSSSSSDDY 	C37H54N10O22	990.3414	NA	PeJP	NA	NA
+PJ119574	GSPNDDEEE 	C37H54N10O22	990.3415	NA	PeJP	NA	NA
+PJ119575	GSSSNDMMY 	C38H58N10O17S2	990.3423	NA	PeJP	NA	NA
+PJ119576	SDDDEHHH 	C38H50N14O18	990.3428	NA	PeJP	NA	NA
+PJ119577	DDDMFYW 	C46H54N8O15S	990.343	NA	PeJP	NA	NA
+PJ119578	GNNMMMMY 	C39H62N10O12S4	990.3432	NA	PeJP	NA	NA
+PJ119579	GCCDDHRW 	C39H54N14O13S2	990.3437	NA	PeJP	NA	NA
+PJ119580	GSDEEEYY 	C42H54N8O20	990.3455	NA	PeJP	NA	NA
+PJ119581	GSSSSSSMMM 	C35H62N10O17S3	990.3457	NA	PeJP	NA	NA
+PJ119582	SSSCNNNEH 	C35H54N14O18S	990.3461	NA	PeJP	NA	NA
+PJ119583	GSSCDDDHR 	C35H54N14O18S	990.3462	NA	PeJP	NA	NA
+PJ119584	GPDDMMYY 	C43H58N8O15S2	990.3463	NA	PeJP	NA	NA
+PJ119585	GDDEMMFF 	C43H58N8O15S2	990.3464	NA	PeJP	NA	NA
+PJ119586	GSTCCKMMM 	C36H66N10O12S5	990.3466	NA	PeJP	NA	NA
+PJ119587	GSPCCCEHR 	C36H58N14O13S3	990.347	NA	PeJP	NA	NA
+PJ119588	GGGGGGGACMMH 	C36H58N14O13S3	990.3471	NA	PeJP	NA	NA
+PJ119589	DMMMMFW 	C44H62N8O10S4	990.3472	NA	PeJP	NA	NA
+PJ119590	CNDMHWW 	C44H54N12O11S2	990.3477	NA	PeJP	NA	NA
+PJ119591	GTEEMMMY 	C40H62N8O15S3	990.3497	NA	PeJP	NA	NA
+PJ119592	SSNDDMHW 	C40H54N12O16S	990.3502	NA	PeJP	NA	NA
+PJ119593	GPMMMMMY 	C41H66N8O10S5	990.3506	NA	PeJP	NA	NA
+PJ119594	ASCCCRYW 	C41H58N12O11S3	990.351	NA	PeJP	NA	NA
+PJ119595	GTCCCRYW 	C41H58N12O11S3	990.3511	NA	PeJP	NA	NA
+PJ119596	GSPDDDDDR 	C36H54N12O21	990.3527	NA	PeJP	NA	NA
+PJ119597	SSSPCNEMH 	C37H58N12O16S2	990.3535	NA	PeJP	NA	NA
+PJ119598	GSSSCCERY 	C37H58N12O16S2	990.3536	NA	PeJP	NA	NA
+PJ119599	SVMMMMMM 	C38H70N8O10S6	990.354	NA	PeJP	NA	NA
+PJ119600	CNNEYYW 	C45H54N10O14S	990.3542	NA	PeJP	NA	NA
+PJ119601	GCCQMMRY 	C38H62N12O11S4	990.3544	NA	PeJP	NA	NA
+PJ119602	GSPCCNHHH 	C38H54N16O12S2	990.3549	NA	PeJP	NA	NA
+PJ119603	CCCKYWW 	C46H58N10O9S3	990.3551	NA	PeJP	NA	NA
+PJ119604	SPNDDEEW 	C41H54N10O19	990.3567	NA	PeJP	NA	NA
+PJ119605	GCNNNNNNQ 	C34H54N16O17S	990.3574	NA	PeJP	NA	NA
+PJ119606	SSSCQMYW 	C42H58N10O14S2	990.3576	NA	PeJP	NA	NA
+PJ119607	CCNNNMHR 	C35H58N16O12S3	990.3583	NA	PeJP	NA	NA
+PJ119608	ACCCKMFW 	C43H62N10O9S4	990.3584	NA	PeJP	NA	NA
+PJ119609	VCCCCKFW 	C43H62N10O9S4	990.3585	NA	PeJP	NA	NA
+PJ119610	SSSSSNEMY 	C38H58N10O19S	990.3601	NA	PeJP	NA	NA
+PJ119611	SDEEYYW 	C46H54N8O17	990.3607	NA	PeJP	NA	NA
+PJ119612	SSNQMMMY 	C39H62N10O14S3	990.3609	NA	PeJP	NA	NA
+PJ119613	GGGGSTMMMY 	C39H62N10O14S3	990.361	NA	PeJP	NA	NA
+PJ119614	GSSSCNNHW 	C39H54N14O15S	990.3614	NA	PeJP	NA	NA
+PJ119615	GGGGGGGGCEHF 	C39H54N14O15S	990.3615	NA	PeJP	NA	NA
+PJ119616	PCEMYYW 	C47H58N8O12S2	990.3616	NA	PeJP	NA	NA
+PJ119617	SPCCCHRW 	C40H58N14O10S3	990.3623	NA	PeJP	NA	NA
+PJ119618	ACCHWWW 	C48H54N12O8S2	990.3629	NA	PeJP	NA	NA
+PJ119619	SSSSSSSTMM 	C35H62N10O19S2	990.3634	NA	PeJP	NA	NA
+PJ119620	NNNDDDER 	C35H54N14O20	990.3639	NA	PeJP	NA	NA
+PJ119621	GGGGGGDDDER 	C35H54N14O20	990.364	NA	PeJP	NA	NA
+PJ119622	QEEEMYY 	C43H58N8O17S	990.3641	NA	PeJP	NA	NA
+PJ119623	SSSSCKMMM 	C36H66N10O14S4	990.3643	NA	PeJP	NA	NA
+PJ119624	SCNDEMHR 	C36H58N14O15S2	990.3648	NA	PeJP	NA	NA
+PJ119625	TEMMMYW 	C44H62N8O12S3	990.365	NA	PeJP	NA	NA
+PJ119626	GSSCEHWW 	C44H54N12O13S	990.3654	NA	PeJP	NA	NA
+PJ119627	GGGGGPCDWW 	C44H54N12O13S	990.3655	NA	PeJP	NA	NA
+PJ119628	GCCCMRRY 	C37H62N14O10S4	990.3657	NA	PeJP	NA	NA
+PJ119629	CMMHHFW 	C45H58N12O8S3	990.3663	NA	PeJP	NA	NA
+PJ119630	PTEEEEEE 	C39H58N8O22	990.3666	NA	PeJP	NA	NA
+PJ119631	STTEEMMY 	C40H62N8O17S2	990.3675	NA	PeJP	NA	NA
+PJ119632	GSSSSDEHW 	C40H54N12O18	990.3679	NA	PeJP	NA	NA
+PJ119633	GGGNNEEEW 	C40H54N12O18	990.368	NA	PeJP	NA	NA
+PJ119634	GVEMMMMY 	C41H66N8O12S4	990.3683	NA	PeJP	NA	NA
+PJ119635	SSSCCRYW 	C41H58N12O13S2	990.3688	NA	PeJP	NA	NA
+PJ119636	GCNYYWW 	C49H54N10O11S	990.3695	NA	PeJP	NA	NA
+PJ119637	ACCHHHHF 	C42H54N16O9S2	990.3702	NA	PeJP	NA	NA
+PJ119638	SSSSSCDRY 	C37H58N12O18S	990.3713	NA	PeJP	NA	NA
+PJ119639	GSPDDEWW 	C45H54N10O16	990.372	NA	PeJP	NA	NA
+PJ119640	SSCNMMRY 	C38H62N12O13S3	990.3722	NA	PeJP	NA	NA
+PJ119641	SNNDMHHH 	C38H54N16O14S	990.3727	NA	PeJP	NA	NA
+PJ119642	GPPCDMWW 	C46H58N10O11S2	990.3728	NA	PeJP	NA	NA
+PJ119643	GGGGPCCFFF 	C46H58N10O11S2	990.3729	NA	PeJP	NA	NA
+PJ119644	SSNNNNNNN 	C34H54N16O19	990.3751	NA	PeJP	NA	NA
+PJ119645	GGGGSSNNNNN 	C34H54N16O19	990.3752	NA	PeJP	NA	NA
+PJ119646	GSSSSSMYW 	C42H58N10O16S	990.3753	NA	PeJP	NA	NA
+PJ119647	GGGPEEEMW 	C42H58N10O16S	990.3754	NA	PeJP	NA	NA
+PJ119648	DDDFFFW 	C50H54N8O14	990.376	NA	PeJP	NA	NA
+PJ119649	GGGGGGGPCCNR 	C35H58N16O14S2	990.3761	NA	PeJP	NA	NA
+PJ119650	GTCCKMYW 	C43H62N10O11S3	990.3762	NA	PeJP	NA	NA
+PJ119651	GCNNNHFW 	C43H54N14O12S	990.3767	NA	PeJP	NA	NA
+PJ119652	GSSSSSSTEY 	C38H58N10O21	990.3778	NA	PeJP	NA	NA
+PJ119653	GAAQEEEEE 	C38H58N10O21	990.3779	NA	PeJP	NA	NA
+PJ119654	GSSSTQMMY 	C39H62N10O16S2	990.3787	NA	PeJP	NA	NA
+PJ119655	GNNDDDRW 	C39H54N14O17	990.3792	NA	PeJP	NA	NA
+PJ119656	AEEMYYW 	C47H58N8O14S	990.3794	NA	PeJP	NA	NA
+PJ119657	EMMMMRY 	C40H66N10O11S4	990.3796	NA	PeJP	NA	NA
+PJ119658	ASCCEHRW 	C40H58N14O12S2	990.38	NA	PeJP	NA	NA
+PJ119659	GSCDMHRW 	C40H58N14O12S2	990.3801	NA	PeJP	NA	NA
+PJ119660	PPCCMFFF 	C48H62N8O9S3	990.3802	NA	PeJP	NA	NA
+PJ119661	GDDHHHHH 	C40H50N18O13	990.3805	NA	PeJP	NA	NA
+PJ119662	SSCHWWW 	C48H54N12O10S	990.3807	NA	PeJP	NA	NA
+PJ119663	ASTEEEYY 	C43H58N8O19	990.3818	NA	PeJP	NA	NA
+PJ119664	GTTEEEYY 	C43H58N8O19	990.3819	NA	PeJP	NA	NA
+PJ119665	SSSSNNQMH 	C36H58N14O17S	990.3825	NA	PeJP	NA	NA
+PJ119666	PCDDDDRR 	C36H58N14O17S	990.3826	NA	PeJP	NA	NA
+PJ119667	GPTEMMYY 	C44H62N8O14S2	990.3827	NA	PeJP	NA	NA
+PJ119668	SSSSDHWW 	C44H54N12O15	990.3832	NA	PeJP	NA	NA
+PJ119669	STCCCRRY 	C37H62N14O12S3	990.3834	NA	PeJP	NA	NA
+PJ119670	VMMMMYW 	C45H66N8O9S4	990.3836	NA	PeJP	NA	NA
+PJ119671	SNMMHWW 	C45H58N12O10S2	990.3841	NA	PeJP	NA	NA
+PJ119672	PVEEEEEM 	C40H62N8O19S	990.3852	NA	PeJP	NA	NA
+PJ119673	SSLEMMMY 	C41H66N8O14S3	990.3861	NA	PeJP	NA	NA
+PJ119674	GPDDDMRW 	C41H58N12O15S	990.3866	NA	PeJP	NA	NA
+PJ119675	GLMMMMMF 	C42H70N8O9S5	990.387	NA	PeJP	NA	NA
+PJ119676	SPDDWWW 	C49H54N10O13	990.3872	NA	PeJP	NA	NA
+PJ119677	QQMMMHW 	C42H62N12O10S3	990.3874	NA	PeJP	NA	NA
+PJ119678	AAAACMMHW 	C42H62N12O10S3	990.3875	NA	PeJP	NA	NA
+PJ119679	GSCQHHHW 	C42H54N16O11S	990.3879	NA	PeJP	NA	NA
+PJ119680	GNEEEEER 	C37H58N12O20	990.3891	NA	PeJP	NA	NA
+PJ119681	GSSSTCMRY 	C38H62N12O15S2	990.3899	NA	PeJP	NA	NA
+PJ119682	ASPPCDDMR 	C38H62N12O15S2	990.39	NA	PeJP	NA	NA
+PJ119683	GSSSNEHHH 	C38H54N16O16	990.3904	NA	PeJP	NA	NA
+PJ119684	PNEEMWW 	C46H58N10O13S	990.3906	NA	PeJP	NA	NA
+PJ119685	GCCKMMRY 	C39H66N12O10S4	990.3908	NA	PeJP	NA	NA
+PJ119686	GNQMMHHH 	C39H58N16O11S2	990.3913	NA	PeJP	NA	NA
+PJ119687	SSSSSSTYW 	C42H58N10O18	990.3931	NA	PeJP	NA	NA
+PJ119688	SSSSCNNHR 	C35H58N16O16S	990.3938	NA	PeJP	NA	NA
+PJ119689	QQQMMYY 	C43H62N10O13S2	990.3939	NA	PeJP	NA	NA
+PJ119690	SSSCKMYW 	C43H62N10O13S2	990.394	NA	PeJP	NA	NA
+PJ119691	GSNNNNWW 	C43H54N14O14	990.3944	NA	PeJP	NA	NA
+PJ119692	GGGGGGGSNWW 	C43H54N14O14	990.3945	NA	PeJP	NA	NA
+PJ119693	PPCYYYW 	C51H58N8O11S	990.3946	NA	PeJP	NA	NA
+PJ119694	GCCEMHRR 	C36H62N16O11S3	990.3947	NA	PeJP	NA	NA
+PJ119695	TCCHRWW 	C44H58N14O9S2	990.3953	NA	PeJP	NA	NA
+PJ119696	SSSSTTQMY 	C39H62N10O18S	990.3964	NA	PeJP	NA	NA
+PJ119697	SSSSSDKMY 	C39H62N10O18S	990.3965	NA	PeJP	NA	NA
+PJ119698	TTEEYYW 	C47H58N8O16	990.3971	NA	PeJP	NA	NA
+PJ119699	SSNKMMMY 	C40H66N10O13S3	990.3973	NA	PeJP	NA	NA
+PJ119700	GGAAPPEMMM 	C40H66N10O13S3	990.3974	NA	PeJP	NA	NA
+PJ119701	SSSCEHRW 	C40H58N14O14S	990.3978	NA	PeJP	NA	NA
+PJ119702	PTMMYYW 	C48H62N8O11S2	990.398	NA	PeJP	NA	NA
+PJ119703	GNNEWWW 	C48H54N12O12	990.3985	NA	PeJP	NA	NA
+PJ119704	CQMMHRW 	C41H62N14O9S3	990.3987	NA	PeJP	NA	NA
+PJ119705	SPCHHHHH 	C41H54N18O10S	990.3992	NA	PeJP	NA	NA
+PJ119706	GDDDEERR 	C36H58N14O19	990.4003	NA	PeJP	NA	NA
+PJ119707	KEEEMYY 	C44H62N8O16S	990.4005	NA	PeJP	NA	NA
+PJ119708	SSNEMMHR 	C37H62N14O14S2	990.4012	NA	PeJP	NA	NA
+PJ119709	GPVMMMYY 	C45H66N8O11S3	990.4014	NA	PeJP	NA	NA
+PJ119710	NNNNNQHH 	C37H54N18O15	990.4016	NA	PeJP	NA	NA
+PJ119711	GGGGNNNQHH 	C37H54N18O15	990.4017	NA	PeJP	NA	NA
+PJ119712	PCDERWW 	C45H58N12O12S	990.4018	NA	PeJP	NA	NA
+PJ119713	GGGGGGPPCFW 	C45H58N12O12S	990.4019	NA	PeJP	NA	NA
+PJ119714	GCNMHHHR 	C38H58N18O10S2	990.4025	NA	PeJP	NA	NA
+PJ119715	VVEEEEEE 	C40H62N8O21	990.403	NA	PeJP	NA	NA
+PJ119716	NEEEERW 	C41H58N12O17	990.4043	NA	PeJP	NA	NA
+PJ119717	GGGGGDKEEW 	C41H58N12O17	990.4044	NA	PeJP	NA	NA
+PJ119718	ATLMMMMY 	C42H70N8O11S4	990.4047	NA	PeJP	NA	NA
+PJ119719	SPPCDMRW 	C42H62N12O12S2	990.4052	NA	PeJP	NA	NA
+PJ119720	SSSNHHHW 	C42H54N16O13	990.4057	NA	PeJP	NA	NA
+PJ119721	APDMWWW 	C50H58N10O10S	990.4058	NA	PeJP	NA	NA
+PJ119722	GPEMWWW 	C50H58N10O10S	990.4059	NA	PeJP	NA	NA
+PJ119723	SSSSSSMRY 	C38H62N12O17S	990.4077	NA	PeJP	NA	NA
+PJ119724	ASSPEEWW 	C46H58N10O15	990.4083	NA	PeJP	NA	NA
+PJ119725	VNEEEWW 	C46H58N10O15	990.4084	NA	PeJP	NA	NA
+PJ119726	STCCKMRY 	C39H66N12O12S3	990.4086	NA	PeJP	NA	NA
+PJ119727	GCNNNQRW 	C39H58N16O13S	990.409	NA	PeJP	NA	NA
+PJ119728	GGGGGCNQRW 	C39H58N16O13S	990.4091	NA	PeJP	NA	NA
+PJ119729	GSPPMMWW 	C47H62N10O10S2	990.4092	NA	PeJP	NA	NA
+PJ119730	PNDHHWW 	C47H54N14O11	990.4097	NA	PeJP	NA	NA
+PJ119731	CCMHRRW 	C40H62N16O8S3	990.4099	NA	PeJP	NA	NA
+PJ119732	SNNDDDRR 	C35H58N16O18	990.4115	NA	PeJP	NA	NA
+PJ119733	GGSNDDDRR 	C35H58N16O18	990.4116	NA	PeJP	NA	NA
+PJ119734	GPDKEEMW 	C43H62N10O15S	990.4117	NA	PeJP	NA	NA
+PJ119735	APEYYYW 	C51H58N8O13	990.4124	NA	PeJP	NA	NA
+PJ119736	APPQMMMW 	C44H66N10O10S3	990.4126	NA	PeJP	NA	NA
+PJ119737	CNEHFRW 	C44H58N14O11S	990.4131	NA	PeJP	NA	NA
+PJ119738	NNWWWW 	C52H54N12O9	990.4137	NA	PeJP	NA	NA
+PJ119739	SSSSSSSSLY 	C39H62N10O20	990.4142	NA	PeJP	NA	NA
+PJ119740	GSSSTKMMY 	C40H66N10O15S2	990.4151	NA	PeJP	NA	NA
+PJ119741	SSNNQQQW 	C40H58N14O16	990.4155	NA	PeJP	NA	NA
+PJ119742	DDDERRW 	C40H58N14O16	990.4156	NA	PeJP	NA	NA
+PJ119743	SLEMYYW 	C48H62N8O13S	990.4157	NA	PeJP	NA	NA
+PJ119744	AAEEMFFF 	C48H62N8O13S	990.4158	NA	PeJP	NA	NA
+PJ119745	GCKKMMMY 	C41H70N10O10S4	990.416	NA	PeJP	NA	NA
+PJ119746	GSSMMHRW 	C41H62N14O11S2	990.4164	NA	PeJP	NA	NA
+PJ119747	GGGGAPCMRW 	C41H62N14O11S2	990.4165	NA	PeJP	NA	NA
+PJ119748	VMMMFFW 	C49H66N8O8S3	990.4166	NA	PeJP	NA	NA
+PJ119749	GTEHHHHH 	C41H54N18O12	990.4169	NA	PeJP	NA	NA
+PJ119750	GQMHFWW 	C49H58N12O9S	990.4171	NA	PeJP	NA	NA
+PJ119751	SSTLEEYY 	C44H62N8O18	990.4182	NA	PeJP	NA	NA
+PJ119752	PPVEEEEY 	C44H62N8O18	990.4183	NA	PeJP	NA	NA
+PJ119753	SPDDDMRR 	C37H62N14O16S	990.4189	NA	PeJP	NA	NA
+PJ119754	GGGGAQEEMR 	C37H62N14O16S	990.419	NA	PeJP	NA	NA
+PJ119755	AALEMMYY 	C45H66N8O13S2	990.4191	NA	PeJP	NA	NA
+PJ119756	GEEERWW 	C45H58N12O14	990.4196	NA	PeJP	NA	NA
+PJ119757	PPCCEMRR 	C38H66N14O11S3	990.4198	NA	PeJP	NA	NA
+PJ119758	SSCQHHHR 	C38H58N18O12S	990.4203	NA	PeJP	NA	NA
+PJ119759	TCKMHWW 	C46H62N12O9S2	990.4205	NA	PeJP	NA	NA
+MJ099190	Antibiotic P 371A1 	C48H66N2O20	990.420892	NA	MeJP	NA	NA
+PJ119760	NNHHHFW 	C46H54N16O10	990.4209	NA	PeJP	NA	NA
+PJ119761	PMWWWW 	C54H58N10O7S	990.4211	NA	PeJP	NA	NA
+PJ119762	TTTLMMMY 	C42H70N8O13S3	990.4225	NA	PeJP	NA	NA
+PJ119763	SSSKEMHW 	C42H62N12O14S	990.4229	NA	PeJP	NA	NA
+PJ119764	GSPEEMRW 	C42H62N12O14S	990.423	NA	PeJP	NA	NA
+PJ119765	GVEEWWW 	C50H58N10O12	990.4236	NA	PeJP	NA	NA
+PJ119766	APPCMMRW 	C43H66N12O9S3	990.4238	NA	PeJP	NA	NA
+PJ119767	GSCKHHHW 	C43H58N16O10S	990.4243	NA	PeJP	NA	NA
+PJ119768	SSSSTKEEH 	C38H62N12O19	990.4254	NA	PeJP	NA	NA
+PJ119769	GDKEEEER 	C38H62N12O19	990.4255	NA	PeJP	NA	NA
+PJ119770	APQEEMMR 	C39H66N12O14S2	990.4263	NA	PeJP	NA	NA
+PJ119771	GGGGGAPKEMM 	C39H66N12O14S2	990.4264	NA	PeJP	NA	NA
+PJ119772	SSNNNNRW 	C39H58N16O15	990.4268	NA	PeJP	NA	NA
+PJ119773	PDKEMWW 	C47H62N10O12S	990.427	NA	PeJP	NA	NA
+PJ119774	GPCCNRRW 	C40H62N16O10S2	990.4277	NA	PeJP	NA	NA
+PJ119775	GCHFRWW 	C48H58N14O8S	990.4283	NA	PeJP	NA	NA
+PJ119776	AAKEEEEW 	C43H62N10O17	990.4295	NA	PeJP	NA	NA
+PJ119777	GNNDEMRR 	C36H62N16O15S	990.4302	NA	PeJP	NA	NA
+PJ119778	PPTTQMMW 	C44H66N10O12S2	990.4303	NA	PeJP	NA	NA
+PJ119779	GPLQEMMW 	C44H66N10O12S2	990.4304	NA	PeJP	NA	NA
+PJ119780	SNNERWW 	C44H58N14O13	990.4308	NA	PeJP	NA	NA
+PJ119781	GGGGGGGAAHFF 	C44H58N14O13	990.4309	NA	PeJP	NA	NA
+PJ119782	PCLFYYW 	C52H62N8O10S	990.431	NA	PeJP	NA	NA
+PJ119783	GGCCCKKHR 	C37H66N16O10S3	990.4311	NA	PeJP	NA	NA
+PJ119784	LMMHHHW 	C45H62N14O8S2	990.4317	NA	PeJP	NA	NA
+PJ119785	THHHHHW 	C45H54N18O9	990.4322	NA	PeJP	NA	NA
+PJ119786	SSSSTTKMY 	C40H66N10O17S	990.4328	NA	PeJP	NA	NA
+PJ119787	PTQKEEEM 	C40H66N10O17S	990.4329	NA	PeJP	NA	NA
+PJ119788	PKEEYYY 	C48H62N8O15	990.4335	NA	PeJP	NA	NA
+PJ119789	STCKKMMY 	C41H70N10O12S3	990.4337	NA	PeJP	NA	NA
+PJ119790	SSSTMHRW 	C41H62N14O13S	990.4342	NA	PeJP	NA	NA
+PJ119791	VVMMYYW 	C49H66N8O10S2	990.4344	NA	PeJP	NA	NA
+PJ119792	EERWWW 	C49H58N12O11	990.4348	NA	PeJP	NA	NA
+PJ119793	GGGDKWWW 	C49H58N12O11	990.4349	NA	PeJP	NA	NA
+PJ119794	CKMMHRW 	C42H66N14O8S3	990.4351	NA	PeJP	NA	NA
+PJ119795	GVMHHHHH 	C42H58N18O9S	990.4355	NA	PeJP	NA	NA
+PJ119796	GSEEEERR 	C37H62N14O18	990.4367	NA	PeJP	NA	NA
+PJ119797	ATTLEMYY 	C45H66N8O15S	990.4369	NA	PeJP	NA	NA
+PJ119798	GPDEMMRR 	C38H66N14O13S2	990.4376	NA	PeJP	NA	NA
+PJ119799	GVLMMMFY 	C46H70N8O10S3	990.4377	NA	PeJP	NA	NA
+PJ119800	GSSSSHHHR 	C38H58N18O14	990.438	NA	PeJP	NA	NA
+PJ119801	GGGGGQEHHR 	C38H58N18O14	990.4381	NA	PeJP	NA	NA
+PJ119802	SPEMRWW 	C46H62N12O11S	990.4382	NA	PeJP	NA	NA
+PJ119803	VEWWWW 	C54H58N10O9	990.4389	NA	PeJP	NA	NA
+PJ119804	TLLEEEEE 	C41H66N8O20	990.4394	NA	PeJP	NA	NA
+PJ119805	PLLEEEMM 	C42H70N8O15S2	990.4403	NA	PeJP	NA	NA
+MJ099191	Pseudobactin B; 5,6-Dihydro, 5'-amide 	C42H62N12O16	990.440673	NA	MeJP	NA	NA
+PJ119806	DKEEERW 	C42H62N12O16	990.4407	NA	PeJP	NA	NA
+PJ119807	GCNDDRRR 	C35H62N18O14S	990.4414	NA	PeJP	NA	NA
+PJ119808	AAPEMMRW 	C43H66N12O11S2	990.4416	NA	PeJP	NA	NA
+PJ119809	QQQQHHW 	C43H58N16O12	990.442	NA	PeJP	NA	NA
+PJ119810	GSPDHHRW 	C43H58N16O12	990.4421	NA	PeJP	NA	NA
+PJ119811	SPVMWWW 	C51H62N10O9S	990.4422	NA	PeJP	NA	NA
+PJ119812	GLQEEEMR 	C39H66N12O16S	990.4441	NA	PeJP	NA	NA
+PJ119813	VDKEEWW 	C47H62N10O14	990.4447	NA	PeJP	NA	NA
+PJ119814	GGGPLEEFW 	C47H62N10O14	990.4448	NA	PeJP	NA	NA
+PJ119815	PPTQMMMR 	C40H70N12O11S3	990.445	NA	PeJP	NA	NA
+PJ119816	NNDMRRW 	C40H62N16O12S	990.4454	NA	PeJP	NA	NA
+PJ119817	GGGGGGGCKRW 	C40H62N16O12S	990.4455	NA	PeJP	NA	NA
+PJ119818	PLQMMWW 	C48H66N10O9S2	990.4456	NA	PeJP	NA	NA
+PJ119819	GSNRWWW 	C48H58N14O10	990.4461	NA	PeJP	NA	NA
+PJ119820	MHHHHHR 	C41H58N20O8S	990.4468	NA	PeJP	NA	NA
+PJ119821	SSNNEERR 	C36H62N16O17	990.4479	NA	PeJP	NA	NA
+PJ119822	GGGGGGGSSDKR 	C36H62N16O17	990.448	NA	PeJP	NA	NA
+PJ119823	APTKEEMW 	C44H66N10O14S	990.4481	NA	PeJP	NA	NA
+PJ119824	SPLYYYW 	C52H62N8O12	990.4487	NA	PeJP	NA	NA
+PJ119825	VVDFYYW 	C52H62N8O12	990.4488	NA	PeJP	NA	NA
+PJ119826	APPKMMMW 	C45H70N10O9S3	990.449	NA	PeJP	NA	NA
+PJ119827	GQQMRWW 	C45H62N14O10S	990.4494	NA	PeJP	NA	NA
+PJ119828	GGAQMRWW 	C45H62N14O10S	990.4495	NA	PeJP	NA	NA
+PJ119829	AHHFFFW 	C53H58N12O8	990.4501	NA	PeJP	NA	NA
+PJ119830	AKKEEEEE 	C40H66N10O19	990.4506	NA	PeJP	NA	NA
+PJ119831	PVQKEEMM 	C41H70N10O14S2	990.4515	NA	PeJP	NA	NA
+PJ119832	SEEERRW 	C41H62N14O15	990.4519	NA	PeJP	NA	NA
+PJ119833	GGGSDKERW 	C41H62N14O15	990.452	NA	PeJP	NA	NA
+PJ119834	AAPLMYYY 	C49H66N8O12S	990.4521	NA	PeJP	NA	NA
+PJ119835	VVLMMMMH 	C42H74N10O9S4	990.4524	NA	PeJP	NA	NA
+PJ119836	PDMMRRW 	C42H66N14O10S2	990.4528	NA	PeJP	NA	NA
+PJ119837	NNQHHRW 	C42H58N18O11	990.4533	NA	PeJP	NA	NA
+PJ119838	PPCFRWW 	C50H62N12O8S	990.4535	NA	PeJP	NA	NA
+PJ119839	TTTTLEYY 	C45H66N8O17	990.4546	NA	PeJP	NA	NA
+PJ119840	AAEEEMRR 	C38H66N14O15S	990.4553	NA	PeJP	NA	NA
+PJ119841	GGGGGGGGKKEM 	C38H66N14O15S	990.4554	NA	PeJP	NA	NA
+PJ119842	GTLLMMYY 	C46H70N8O12S2	990.4555	NA	PeJP	NA	NA
+PJ119843	SVEERWW 	C46H62N12O13	990.456	NA	PeJP	NA	NA
+PJ119844	PPTCMMRR 	C39H70N14O10S3	990.4562	NA	PeJP	NA	NA
+PJ119845	GPCEHHRR 	C39H62N18O11S	990.4567	NA	PeJP	NA	NA
+PJ119846	PCLMRWW 	C47H66N12O8S2	990.4568	NA	PeJP	NA	NA
+PJ119847	VLLEEEEM 	C42H70N8O17S	990.458	NA	PeJP	NA	NA
+PJ119848	GSSSNNNRR 	C35H62N18O16	990.4592	NA	PeJP	NA	NA
+PJ119849	LQEEMRW 	C43H66N12O13S	990.4593	NA	PeJP	NA	NA
+PJ119850	GALEEMRW 	C43H66N12O13S	990.4594	NA	PeJP	NA	NA
+PJ119851	ATLEWWW 	C51H62N10O11	990.46	NA	PeJP	NA	NA
+PJ119852	KKMMMHW 	C44H70N12O8S3	990.4602	NA	PeJP	NA	NA
+PJ119853	GCQRRWW 	C44H62N16O9S	990.4607	NA	PeJP	NA	NA
+PJ119854	STLQEEER 	C39H66N12O18	990.4618	NA	PeJP	NA	NA
+PJ119855	ATKEEEER 	C39H66N12O18	990.4619	NA	PeJP	NA	NA
+PJ119856	APKEEMMR 	C40H70N12O13S2	990.4627	NA	PeJP	NA	NA
+PJ119857	GSSNERRW 	C40H62N16O14	990.4632	NA	PeJP	NA	NA
+PJ119858	VLQEMWW 	C48H66N10O11S	990.4634	NA	PeJP	NA	NA
+PJ119859	PTFFFFW 	C56H62N8O9	990.464	NA	PeJP	NA	NA
+PJ119860	GGMMHFRR 	C41H66N16O9S2	990.4641	NA	PeJP	NA	NA
+PJ119861	GPNHHHHR 	C41H58N20O10	990.4645	NA	PeJP	NA	NA
+PJ119862	STTTQKYY 	C44H66N10O16	990.4658	NA	PeJP	NA	NA
+PJ119863	GTLKEEEW 	C44H66N10O16	990.4659	NA	PeJP	NA	NA
+PJ119864	SVCNQERR 	C37H66N16O14S	990.4665	NA	PeJP	NA	NA
+PJ119865	DEEMRRR 	C37H66N16O14S	990.4666	NA	PeJP	NA	NA
+PJ119866	GPLKEMMW 	C45H70N10O11S2	990.4667	NA	PeJP	NA	NA
+PJ119867	GGAAPPLMMF 	C45H70N10O11S2	990.4668	NA	PeJP	NA	NA
+PJ119868	SNDKRWW 	C45H62N14O12	990.4672	NA	PeJP	NA	NA
+PJ119869	VVMFFYW 	C53H66N8O9S	990.4674	NA	PeJP	NA	NA
+PJ119870	PTKKEEEM 	C41H70N10O16S	990.4692	NA	PeJP	NA	NA
+PJ119871	GGVLKEEEM 	C41H70N10O16S	990.4693	NA	PeJP	NA	NA
+PJ119872	LLQEYYY 	C49H66N8O14	990.4699	NA	PeJP	NA	NA
+PJ119873	PPKKEMMM 	C42H74N10O11S3	990.4701	NA	PeJP	NA	NA
+PJ119874	VDEMRRW 	C42H66N14O12S	990.4706	NA	PeJP	NA	NA
+PJ119875	GVLMMFFF 	C50H70N8O9S2	990.4708	NA	PeJP	NA	NA
+PJ119876	GTQKWWW 	C50H62N12O10	990.4712	NA	PeJP	NA	NA
+PJ119877	PCHHRRW 	C43H62N18O8S	990.4719	NA	PeJP	NA	NA
+PJ119878	ATTEEERR 	C38H66N14O17	990.4731	NA	PeJP	NA	NA
+PJ119879	STTLLMYY 	C46H70N8O14S	990.4732	NA	PeJP	NA	NA
+PJ119880	PPLLEEMY 	C46H70N8O14S	990.4733	NA	PeJP	NA	NA
+PJ119881	STTKMMHR 	C39H70N14O12S2	990.4739	NA	PeJP	NA	NA
+PJ119882	APTEMMRR 	C39H70N14O12S2	990.474	NA	PeJP	NA	NA
+PJ119883	GNNNNFRR 	C39H62N18O13	990.4744	NA	PeJP	NA	NA
+PJ119884	GGGGGGGGGFRR 	C39H62N18O13	990.4745	NA	PeJP	NA	NA
+PJ119885	ALEMRWW 	C47H66N12O10S	990.4746	NA	PeJP	NA	NA
+PJ119886	APVFWWW 	C55H62N10O8	990.4752	NA	PeJP	NA	NA
+PJ119887	GPLFWWW 	C55H62N10O8	990.4753	NA	PeJP	NA	NA
+PJ119888	GTTLEERW 	C43H66N12O15	990.4771	NA	PeJP	NA	NA
+PJ119889	GSNDMRRR 	C36H66N18O13S	990.4778	NA	PeJP	NA	NA
+PJ119890	GPTLMMRW 	C44H70N12O10S2	990.478	NA	PeJP	NA	NA
+PJ119891	SSNRRWW 	C44H62N16O11	990.4784	NA	PeJP	NA	NA
+PJ119892	GGLEHHRW 	C44H62N16O11	990.4785	NA	PeJP	NA	NA
+PJ119893	GLLMWWW 	C52H66N10O8S	990.4786	NA	PeJP	NA	NA
+PJ119894	GLKEEEMR 	C40H70N12O15S	990.4805	NA	PeJP	NA	NA
+PJ119895	TLKEEWW 	C48H66N10O13	990.4811	NA	PeJP	NA	NA
+PJ119896	PPTKMMMR 	C41H74N12O10S3	990.4813	NA	PeJP	NA	NA
+PJ119897	GPVCCLLMR 	C41H74N12O10S3	990.4814	NA	PeJP	NA	NA
+PJ119898	SQQMRRW 	C41H66N16O11S	990.4818	NA	PeJP	NA	NA
+PJ119899	PLKMMWW 	C49H70N10O8S2	990.482	NA	PeJP	NA	NA
+MJ099192	3,14,16-Trihydroxycard-20(22)-enolide, 16-Ac, 3-O-[di-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl(1?4)-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranoside] 	C51H74O19	990.48243	NA	MeJP	NA	NA
+MJ099193	3,16,23-Trihydroxy-12-oleanen-28-oic acid, 3-O-?-D-Glucuronopyranoside, 28-O-[(3,4-dimethoxybenzoyl)-(?2)-?-D-glucopyranosyl] ester 	C51H74O19	990.48243	NA	MeJP	NA	NA
+PJ119900	PTKHHWW 	C49H62N14O9	990.4825	NA	PeJP	NA	NA
+PJ119901	SSNDKERR 	C37H66N16O16	990.4843	NA	PeJP	NA	NA
+PJ119902	GVLKEEMW 	C45H70N10O13S	990.4845	NA	PeJP	NA	NA
+PJ119903	ALLYYYW 	C53H66N8O11	990.4851	NA	PeJP	NA	NA
+PJ119904	AAQQMMRR 	C38H70N16O11S2	990.4852	NA	PeJP	NA	NA
+PJ119905	DDHHRRR 	C38H62N20O12	990.4857	NA	PeJP	NA	NA
+PJ119906	GQKMRWW 	C46H66N14O9S	990.4858	NA	PeJP	NA	NA
+PJ119907	SLKKEEEE 	C41H70N10O18	990.487	NA	PeJP	NA	NA
+PJ119908	PVKKEEMM 	C42H74N10O13S2	990.4879	NA	PeJP	NA	NA
+PJ119909	GSTQKERW 	C42H66N14O14	990.4883	NA	PeJP	NA	NA
+PJ119910	GGGGGGSTKKW 	C42H66N14O14	990.4884	NA	PeJP	NA	NA
+PJ119911	AALLMFYY 	C50H70N8O11S	990.4885	NA	PeJP	NA	NA
+PJ119912	APCCKKRW 	C43H70N14O9S2	990.4892	NA	PeJP	NA	NA
+PJ119913	AEHHRRW 	C43H62N18O10	990.4897	NA	PeJP	NA	NA
+PJ119914	PVLLEEEY 	C46H70N8O16	990.491	NA	PeJP	NA	NA
+PJ119915	GTLEEMRR 	C39H70N14O14S	990.4917	NA	PeJP	NA	NA
+PJ119916	SQKKEWW 	C47H66N12O12	990.4923	NA	PeJP	NA	NA
+PJ119917	TTLERWW 	C47H66N12O12	990.4924	NA	PeJP	NA	NA
+PJ119918	GPLMMMRR 	C40H74N14O9S3	990.4926	NA	PeJP	NA	NA
+PJ119919	SCQRRRW 	C40H66N18O10S	990.493	NA	PeJP	NA	NA
+PJ119920	GGTCRRRW 	C40H66N18O10S	990.4931	NA	PeJP	NA	NA
+PJ119921	GLHHRWW 	C48H62N16O8	990.4937	NA	PeJP	NA	NA
+PJ119922	SSSNERRR 	C36H66N18O15	990.4955	NA	PeJP	NA	NA
+PJ119923	GGSSSERRR 	C36H66N18O15	990.4956	NA	PeJP	NA	NA
+PJ119924	LKEEMRW 	C44H70N12O12S	990.4957	NA	PeJP	NA	NA
+PJ119925	GGGGGAPLKMF 	C44H70N12O12S	990.4958	NA	PeJP	NA	NA
+PJ119926	STLLWWW 	C52H66N10O10	990.4964	NA	PeJP	NA	NA
+PJ119927	GCKRRWW 	C45H66N16O8S	990.4971	NA	PeJP	NA	NA
+PJ119928	STLKEEER 	C40H70N12O17	990.4982	NA	PeJP	NA	NA
+PJ119929	SPLKEMMR 	C41H74N12O12S2	990.4991	NA	PeJP	NA	NA
+PJ119930	GSSDKRRW 	C41H66N16O13	990.4996	NA	PeJP	NA	NA
+PJ119931	VLMFRYY 	C49H70N10O10S	990.4997	NA	PeJP	NA	NA
+PJ119932	VLKEMWW 	C49H70N10O10S	990.4998	NA	PeJP	NA	NA
+PJ119933	VVFFFFW 	C57H66N8O8	990.5004	NA	PeJP	NA	NA
+PJ119934	SSLLKEEW 	C45H70N10O15	990.5022	NA	PeJP	NA	NA
+PJ119935	VVTTKEEW 	C45H70N10O15	990.5023	NA	PeJP	NA	NA
+PJ119936	GSQKEMRR 	C38H70N16O13S	990.5029	NA	PeJP	NA	NA
+PJ119937	GGGTKEMRR 	C38H70N16O13S	990.503	NA	PeJP	NA	NA
+PJ119938	SPVLKMMW 	C46H74N10O10S2	990.5031	NA	PeJP	NA	NA
+MJ099194	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H78O21	990.503559	NA	MeJP	NA	NA
+PJ119939	STQKRWW 	C46H66N14O11	990.5036	NA	PeJP	NA	NA
+PJ119940	VVKKEEEM 	C42H74N10O15S	990.5056	NA	PeJP	NA	NA
+PJ119941	LLKEYYY 	C50H70N8O13	990.5063	NA	PeJP	NA	NA
+PJ119942	PLLQKMMM 	C43H78N10O10S3	990.5065	NA	PeJP	NA	NA
+PJ119943	TLEMRRW 	C43H70N14O11S	990.507	NA	PeJP	NA	NA
+PJ119944	GTKKWWW 	C51H66N12O9	990.5076	NA	PeJP	NA	NA
+PJ119945	CNMRRRR 	C36H70N20O9S2	990.5077	NA	PeJP	NA	NA
+PJ119946	SSSPTTQKR 	C39H70N14O16	990.5094	NA	PeJP	NA	NA
+PJ119947	STTLEERR 	C39H70N14O16	990.5095	NA	PeJP	NA	NA
+PJ119948	PLLLEEMF 	C47H74N8O13S	990.5097	NA	PeJP	NA	NA
+PJ119949	GVLEMMRR 	C40H74N14O11S2	990.5103	NA	PeJP	NA	NA
+PJ119950	GGGAALKMMR 	C40H74N14O11S2	990.5104	NA	PeJP	NA	NA
+PJ119951	GSSSRRRW 	C40H66N18O12	990.5108	NA	PeJP	NA	NA
+PJ119952	SLLMRWW 	C48H70N12O9S	990.511	NA	PeJP	NA	NA
+PJ119953	LLLLEEMM 	C44H78N8O13S2	990.513	NA	PeJP	NA	NA
+PJ119954	SSTLLERW 	C44H70N12O14	990.5135	NA	PeJP	NA	NA
+PJ119955	GSTQMRRR 	C37H70N18O12S	990.5142	NA	PeJP	NA	NA
+PJ119956	AALLMMRW 	C45H74N12O9S2	990.5144	NA	PeJP	NA	NA
+PJ119957	AQQFRRW 	C45H66N16O10	990.5148	NA	PeJP	NA	NA
+PJ119958	SSSPTLLMR 	C41H74N12O14S	990.5168	NA	PeJP	NA	NA
+PJ119959	SVLKEEMR 	C41H74N12O14S	990.5169	NA	PeJP	NA	NA
+PJ119960	SSSLLLWW 	C49H70N10O12	990.5175	NA	PeJP	NA	NA
+PJ119961	PVVKMMMR 	C42H78N12O9S3	990.5177	NA	PeJP	NA	NA
+PJ119962	SQKMRRW 	C42H70N16O10S	990.5182	NA	PeJP	NA	NA
+PJ119963	AKHFFRW 	C50H66N14O8	990.5188	NA	PeJP	NA	NA
+PJ119964	PPLHRWW 	C50H66N14O8	990.5189	NA	PeJP	NA	NA
+PJ119965	SSTQKERR 	C38H70N16O15	990.5207	NA	PeJP	NA	NA
+PJ119966	ATLLKEMW 	C46H74N10O12S	990.5209	NA	PeJP	NA	NA
+PJ119967	AALLFFFY 	C54H70N8O10	990.5215	NA	PeJP	NA	NA
+PJ119968	LEMMRRR 	C39H74N16O10S2	990.5216	NA	PeJP	NA	NA
+PJ119969	TEHHRRR 	C39H66N20O11	990.522	NA	PeJP	NA	NA
+PJ119970	GGGSKHHRR 	C39H66N20O11	990.5221	NA	PeJP	NA	NA
+PJ119971	GKKMRWW 	C47H70N14O8S	990.5222	NA	PeJP	NA	NA
+PJ119972	GTTTLLKEE 	C42H74N10O17	990.5234	NA	PeJP	NA	NA
+PJ119973	SVVCLLLNM 	C43H78N10O12S2	990.5242	NA	PeJP	NA	NA
+PJ119974	VLLQKEMM 	C43H78N10O12S2	990.5243	NA	PeJP	NA	NA
+MJ099195	1-Hexadecanol; O-[?-L-Rhamnopyranosyl-(1?2)[?-L-arabinopyranosyl-(1?3)]-?-D-glucopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside] 	C45H82O23	990.524688	NA	MeJP	NA	NA
+PJ119975	GSTKKERW 	C43H70N14O13	990.5247	NA	PeJP	NA	NA
+PJ119976	GGGGGGGGLKKF 	C43H70N14O13	990.5248	NA	PeJP	NA	NA
+PJ119977	GSTCRRRR 	C36H70N20O11S	990.5254	NA	PeJP	NA	NA
+PJ119978	VLMMRRW 	C44H74N14O8S2	990.5256	NA	PeJP	NA	NA
+PJ119979	GNFRRRW 	C44H66N18O9	990.5261	NA	PeJP	NA	NA
+PJ119980	VLLLEEEF 	C47H74N8O15	990.5274	NA	PeJP	NA	NA
+PJ119981	SSLLEMRR 	C40H74N14O13S	990.5281	NA	PeJP	NA	NA
+PJ119982	SKKKEWW 	C48H70N12O11	990.5287	NA	PeJP	NA	NA
+PJ119983	GGGPVKKYW 	C48H70N12O11	990.5288	NA	PeJP	NA	NA
+PJ119984	SCKRRRW 	C41H70N18O9S	990.5294	NA	PeJP	NA	NA
+PJ119985	SSSDKRRR 	C37H70N18O14	990.5319	NA	PeJP	NA	NA
+PJ119986	ATTLLMRW 	C45H74N12O11S	990.5321	NA	PeJP	NA	NA
+PJ119987	PVLKYWW 	C53H70N10O9	990.5328	NA	PeJP	NA	NA
+PJ119988	SSSSLLLER 	C41H74N12O16	990.5346	NA	PeJP	NA	NA
+PJ119989	ALLKEMMR 	C42H78N12O11S2	990.5355	NA	PeJP	NA	NA
+PJ119990	LQQQRRY 	C42H70N16O12	990.5359	NA	PeJP	NA	NA
+PJ119991	GSTTKRRW 	C42H70N16O12	990.536	NA	PeJP	NA	NA
+PJ119992	GPLLKMFW 	C50H74N10O9S	990.5361	NA	PeJP	NA	NA
+PJ119993	TTTLLKEW 	C46H74N10O14	990.5386	NA	PeJP	NA	NA
+PJ119994	AAAAAVLLEY 	C46H74N10O14	990.5387	NA	PeJP	NA	NA
+PJ119995	GSKKEMRR 	C39H74N16O12S	990.5393	NA	PeJP	NA	NA
+PJ119996	GLLLKMMW 	C47H78N10O9S2	990.5395	NA	PeJP	NA	NA
+MJ099196	Peptide AF 2 	C47H70N14O10	990.539934	NA	MeJP	NA	NA
+MJ099197	12-Oleanene-3,11,16,21,23,28-hexol, 11-Me ether, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C49H82O20	990.539945	NA	MeJP	NA	NA
+MJ099198	Pregn-6-ene-3,5,8,12,14,17,20-heptol, 3-O-[6-Deoxy-3-O-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H82O20	990.539945	NA	MeJP	NA	NA
+MJ099199	Pregn-6-ene-3,5,8,12,14,17,20-heptol, 3-O-[?-D-Thevetopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C49H82O20	990.539945	NA	MeJP	NA	NA
+PJ119997	STKKRWW 	C47H70N14O10	990.54	NA	PeJP	NA	NA
+PJ119998	VMHHRRR 	C40H70N20O8S	990.5407	NA	PeJP	NA	NA
+PJ119999	TLLKKEEM 	C43H78N10O14S	990.542	NA	PeJP	NA	NA
+PJ120000	PPLLLEFY 	C51H74N8O12	990.5427	NA	PeJP	NA	NA
+PJ120001	PLLKKMMM 	C44H82N10O9S3	990.5429	NA	PeJP	NA	NA
+PJ120002	SSSSRRRR 	C36H70N20O13	990.5432	NA	PeJP	NA	NA
+PJ120003	DKKKMRW 	C44H74N14O10S	990.5434	NA	PeJP	NA	NA
+PJ120004	ALLFRWW 	C52H70N12O8	990.544	NA	PeJP	NA	NA
+PJ120005	SSKKKEER 	C40H74N14O15	990.5458	NA	PeJP	NA	NA
+PJ120006	STDKKKER 	C40H74N14O15	990.5459	NA	PeJP	NA	NA
+PJ120007	PLLLLEMY 	C48H78N8O12S	990.546	NA	PeJP	NA	NA
+PJ120008	ATLLMMRR 	C41H78N14O10S2	990.5467	NA	PeJP	NA	NA
+PJ120009	VNQRRRY 	C41H70N18O11	990.5472	NA	PeJP	NA	NA
+PJ120010	CLKKKWW 	C49H74N12O8S	990.5474	NA	PeJP	NA	NA
+PJ120011	TTTTLLRW 	C45H74N12O13	990.5499	NA	PeJP	NA	NA
+PJ120012	GSTKMRRR 	C38H74N18O11S	990.5506	NA	PeJP	NA	NA
+PJ120013	AQKFRRW 	C46H70N16O9	990.5512	NA	PeJP	NA	NA
+PJ120014	TTLLKEMR 	C42H78N12O13S	990.5532	NA	PeJP	NA	NA
+PJ120015	GAVTKKKEM 	C42H78N12O13S	990.5533	NA	PeJP	NA	NA
+PJ120016	APTLLKYW 	C50H74N10O11	990.5539	NA	PeJP	NA	NA
+PJ120017	SKKMRRW 	C43H74N16O9S	990.5546	NA	PeJP	NA	NA
+PJ120018	SSTKKERR 	C39H74N16O14	990.5571	NA	PeJP	NA	NA
+PJ120019	STLLLKMW 	C47H78N10O11S	990.5573	NA	PeJP	NA	NA
+PJ120020	AAKKMMRR 	C40H78N16O9S2	990.558	NA	PeJP	NA	NA
+PJ120021	GQRRRRY 	C40H70N20O10	990.5584	NA	PeJP	NA	NA
+PJ120022	SSTTLLLKE 	C43H78N10O16	990.5598	NA	PeJP	NA	NA
+PJ120023	VLLKKEMM 	C44H82N10O11S2	990.5606	NA	PeJP	NA	NA
+PJ120024	SSSLKKRW 	C44H74N14O12	990.5611	NA	PeJP	NA	NA
+PJ120025	VLLLLEEY 	C48H78N8O14	990.5638	NA	PeJP	NA	NA
+PJ120026	TTTLLMRR 	C41H78N14O12S	990.5645	NA	PeJP	NA	NA
+PJ120027	LLLQRYW 	C49H74N12O10	990.5651	NA	PeJP	NA	NA
+PJ120028	SSTTKRRR 	C38H74N18O13	990.5683	NA	PeJP	NA	NA
+PJ120029	GTLKKKMW 	C46H78N12O10S	990.5685	NA	PeJP	NA	NA
+PJ120030	VLLKFWW 	C54H74N10O8	990.5691	NA	PeJP	NA	NA
+PJ120031	KKKFFFF 	C54H74N10O8	990.5692	NA	PeJP	NA	NA
+PJ120032	PNHRRRR 	C39H70N22O9	990.5697	NA	PeJP	NA	NA
+PJ120033	SSTTTLLLR 	C42H78N12O15	990.571	NA	PeJP	NA	NA
+PJ120034	SLLLKMMR 	C43H82N12O10S2	990.5719	NA	PeJP	NA	NA
+PJ120035	VLERRRY 	C43H74N16O11	990.5723	NA	PeJP	NA	NA
+PJ120036	GGAALKRRY 	C43H74N16O11	990.5724	NA	PeJP	NA	NA
+PJ120037	PTLLKKEY 	C47H78N10O13	990.575	NA	PeJP	NA	NA
+PJ120038	ATTKKMRR 	C40H78N16O11S	990.5757	NA	PeJP	NA	NA
+PJ120039	VVLRRYW 	C48H74N14O9	990.5764	NA	PeJP	NA	NA
+PJ120040	SSSLLLLKM 	C44H82N10O13S	990.5784	NA	PeJP	NA	NA
+PJ120041	PPLLLLYY 	C52H78N8O11	990.579	NA	PeJP	NA	NA
+PJ120042	PLLLLEFF 	C52H78N8O11	990.5791	NA	PeJP	NA	NA
+PJ120043	GVLLMFRR 	C45H78N14O9S	990.5797	NA	PeJP	NA	NA
+PJ120044	TTTKKKER 	C41H78N14O14	990.5822	NA	PeJP	NA	NA
+PJ120045	LLLLLEMF 	C49H82N8O11S	990.5824	NA	PeJP	NA	NA
+PJ120046	GLKKKMMR 	C42H82N14O9S2	990.5831	NA	PeJP	NA	NA
+PJ120047	VNKRRRY 	C42H74N18O10	990.5836	NA	PeJP	NA	NA
+PJ120048	STTLKKKW 	C46H78N12O12	990.5862	NA	PeJP	NA	NA
+PJ120049	GLLLKERY 	C46H78N12O12	990.5863	NA	PeJP	NA	NA
+PJ120050	AKKFRRW 	C47H74N16O8	990.5876	NA	PeJP	NA	NA
+PJ120051	SLKKKKEM 	C43H82N12O12S	990.5896	NA	PeJP	NA	NA
+PJ120052	GVLLLKYW 	C51H78N10O10	990.5903	NA	PeJP	NA	NA
+PJ120053	LLMFRRR 	C44H78N16O8S	990.591	NA	PeJP	NA	NA
+PJ120054	TTTTKKRR 	C40H78N16O13	990.5935	NA	PeJP	NA	NA
+PJ120055	PVLLKKMY 	C48H82N10O10S	990.5937	NA	PeJP	NA	NA
+PJ120056	GKRRRRY 	C41H74N20O9	990.5948	NA	PeJP	NA	NA
+PJ120057	TTTTTLLLK 	C44H82N10O15	990.5961	NA	PeJP	NA	NA
+PJ120058	GTLLLRRY 	C45H78N14O11	990.5975	NA	PeJP	NA	NA
+PJ120059	STLKKKMR 	C42H82N14O11S	990.6009	NA	PeJP	NA	NA
+PJ120060	LLLKRYW 	C50H78N12O9	990.6015	NA	PeJP	NA	NA
+PJ120061	ALLLKMFR 	C47H82N12O9S	990.6049	NA	PeJP	NA	NA
+PJ120062	SSSTLLKKK 	C43H82N12O14	990.6074	NA	PeJP	NA	NA
+PJ120063	VVKKKKMM 	C44H86N12O9S2	990.6083	NA	PeJP	NA	NA
+PJ120064	LQKKRRY 	C44H78N16O10	990.6087	NA	PeJP	NA	NA
+PJ120065	VVLLKKEY 	C48H82N10O12	990.6114	NA	PeJP	NA	NA
+PJ120066	VKKKFRW 	C49H78N14O8	990.6127	NA	PeJP	NA	NA
+PJ120067	PLLLLLFY 	C53H82N8O10	990.6154	NA	PeJP	NA	NA
+PJ120068	GSSTKKKKK 	C42H82N14O13	990.6186	NA	PeJP	NA	NA
+PJ120069	LLLLLLMY 	C50H86N8O10S	990.6188	NA	PeJP	NA	NA
+PJ120070	TKKFRRR 	C43H78N18O9	990.62	NA	PeJP	NA	NA
+PJ120071	SVLLLKRY 	C47H82N12O11	990.6226	NA	PeJP	NA	NA
+PJ120072	GAALLKKKY 	C47H82N12O11	990.6227	NA	PeJP	NA	NA
+PJ120073	PVLLKKFF 	C52H82N10O9	990.6267	NA	PeJP	NA	NA
+PJ120074	VLLLKKMF 	C49H86N10O9S	990.63	NA	PeJP	NA	NA
+PJ120075	GVLKKKRY 	C46H82N14O10	990.6339	NA	PeJP	NA	NA
+PJ120076	TCKKKKKK 	C43H86N14O10S	990.6373	NA	PeJP	NA	NA
+PJ120077	LKKKRRY 	C45H82N16O9	990.6451	NA	PeJP	NA	NA
+PJ120078	TLLLLKKY 	C49H86N10O11	990.6478	NA	PeJP	NA	NA
+PJ120079	LLLLLLFF 	C54H86N8O9	990.6518	NA	PeJP	NA	NA
+PJ120080	ALLKKKKY 	C48H86N12O10	990.659	NA	PeJP	NA	NA
+PJ120081	VLLLLKHR 	C47H86N14O9	990.6703	NA	PeJP	NA	NA
+PJ120082	PPVVLLLLK 	C50H90N10O10	990.6842	NA	PeJP	NA	NA
+C16001	Reactive black 5	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+C16002	Oxidized reactive black 5	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+C16003	Atrial natriuretic peptide	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+C16004	Brain natriuretic peptide	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+C16005	C-Type natriuretic peptide	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+C16006	Uroguanylin	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+C16007	Guanylin	C26H21N5O19S6	990.8746	NA	KEGG	NA	NA
+PJ120083	CCCCCCCDH 	C31H49N11O12S7	991.1608	NA	PeJP	NA	NA
+PJ120084	CCCCCNNDD 	C31H49N11O16S5	991.1963	NA	PeJP	NA	NA
+PJ120085	SCCCCCCMH 	C32H53N11O11S7	991.1971	NA	PeJP	NA	NA
+PJ120086	SCCCCDDDE 	C32H49N9O19S4	991.2028	NA	PeJP	NA	NA
+PJ120087	PCCCCCDDM 	C33H53N9O14S6	991.2037	NA	PeJP	NA	NA
+PJ120088	GSPCCCCCCN 	C32H53N11O13S6	991.2149	NA	PeJP	NA	NA
+PJ120089	GCCCDDDMM 	C33H53N9O16S5	991.2214	NA	PeJP	NA	NA
+PJ120090	ACCCCCCHF 	C36H53N11O10S6	991.2302	NA	PeJP	NA	NA
+PJ120091	SCCCCNNDM 	C32H53N11O15S5	991.2326	NA	PeJP	NA	NA
+PJ120092	GGSCCCCNDM 	C32H53N11O15S5	991.2327	NA	PeJP	NA	NA
+PJ120093	GCCCDDDDF 	C36H49N9O18S3	991.2358	NA	PeJP	NA	NA
+PJ120094	CCCCDEMW 	C37H53N9O13S5	991.2367	NA	PeJP	NA	NA
+PJ120095	SSCCCDDEM 	C33H53N9O18S4	991.2392	NA	PeJP	NA	NA
+PJ120096	PTCCCCCEM 	C34H57N9O13S6	991.24	NA	PeJP	NA	NA
+PJ120097	SPCCCCDMM 	C34H57N9O13S6	991.2401	NA	PeJP	NA	NA
+PJ120098	GCCCCDDHH 	C34H49N13O14S4	991.2405	NA	PeJP	NA	NA
+PJ120099	GSCCCCCQW 	C36H53N11O12S5	991.2479	NA	PeJP	NA	NA
+PJ120100	GSSSCCCCNE 	C32H53N11O17S4	991.2504	NA	PeJP	NA	NA
+PJ120101	GCCCCNQMM 	C33H57N11O12S6	991.2513	NA	PeJP	NA	NA
+PJ120102	GSCCDDDDY 	C36H49N9O20S2	991.2536	NA	PeJP	NA	NA
+PJ120103	GPCCCCDEY 	C37H53N9O15S4	991.2544	NA	PeJP	NA	NA
+PJ120104	GSCCDDMMM 	C34H57N9O15S5	991.2578	NA	PeJP	NA	NA
+PJ120105	APCCCCMMM 	C35H61N9O10S7	991.2587	NA	PeJP	NA	NA
+PJ120106	SPCCCCCHH 	C35H53N13O11S5	991.2591	NA	PeJP	NA	NA
+PJ120107	GCCCCCNMR 	C32H57N13O11S6	991.2625	NA	PeJP	NA	NA
+PJ120108	SSSCCCCNW 	C36H53N11O14S4	991.2657	NA	PeJP	NA	NA
+PJ120109	SSSSSCCCND 	C32H53N11O19S3	991.2682	NA	PeJP	NA	NA
+PJ120110	SSCCCNNMM 	C33H57N11O14S5	991.269	NA	PeJP	NA	NA
+PJ120111	GGGGSSCCCMM 	C33H57N11O14S5	991.2691	NA	PeJP	NA	NA
+PJ120112	PCCCCDYW 	C41H53N9O12S4	991.2697	NA	PeJP	NA	NA
+PJ120113	CCNDDEMY 	C37H53N9O17S3	991.2722	NA	PeJP	NA	NA
+PJ120114	SCCCEMMW 	C38H57N9O12S5	991.2731	NA	PeJP	NA	NA
+PJ120115	SSSCCDEMM 	C34H57N9O17S4	991.2756	NA	PeJP	NA	NA
+PJ120116	GCCNNDDDH 	C34H49N13O18S2	991.276	NA	PeJP	NA	NA
+PJ120117	GGGCCNDDDH 	C34H49N13O18S2	991.2761	NA	PeJP	NA	NA
+PJ120118	CCNEMMMM 	C35H61N9O12S6	991.2764	NA	PeJP	NA	NA
+PJ120119	GSCCCDMHH 	C35H53N13O13S4	991.2769	NA	PeJP	NA	NA
+PJ120120	SSCCCCCQR 	C32H57N13O13S5	991.2803	NA	PeJP	NA	NA
+PJ120121	CCCCNNFW 	C40H53N11O11S4	991.2809	NA	PeJP	NA	NA
+PJ120122	GSCDDDDEH 	C35H49N11O21S	991.2826	NA	PeJP	NA	NA
+PJ120123	CCCDDDRY 	C36H53N11O16S3	991.2834	NA	PeJP	NA	NA
+PJ120124	GSCCCCCKW 	C37H57N11O11S5	991.2843	NA	PeJP	NA	NA
+PJ120125	GSSSSCCCQM 	C33H57N11O16S4	991.2868	NA	PeJP	NA	NA
+PJ120126	GCCDDMYW 	C41H53N9O14S3	991.2875	NA	PeJP	NA	NA
+PJ120127	CCCDMMMR 	C34H61N11O11S6	991.2877	NA	PeJP	NA	NA
+PJ120128	PCCCCMFW 	C42H57N9O9S5	991.2883	NA	PeJP	NA	NA
+PJ120129	GPDDDDDDE 	C36H49N9O24	991.2891	NA	PeJP	NA	NA
+PJ120130	GSSCDDDMY 	C37H53N9O19S2	991.29	NA	PeJP	NA	NA
+PJ120131	GSPCCCEMY 	C38H57N9O14S4	991.2908	NA	PeJP	NA	NA
+PJ120132	GCCMMMMW 	C39H61N9O9S6	991.2917	NA	PeJP	NA	NA
+PJ120133	TCCCCHHW 	C39H53N13O10S4	991.2922	NA	PeJP	NA	NA
+C05261	3-Oxotetradecanoyl-CoA	C35H60N7O18P3S	991.2928	NA	KEGG	NA	NA
+HMDB03935	3-Oxotetradecanoyl-CoA	C35H60N7O18P3S	991.292847	NA	HMDB2010	NA	NA
+HMDB03935	3-Oxotetradecanoyl-CoA	C35H60N7O18P3S	991.29285	http://www.hmdb.ca/metabolites/HMDB03935	HMDB	NA	NA
+HMDB03935	3-Oxotetradecanoyl-CoA	C35H60N7O18P3S	991.29285	HMDB03935	PFEM_hmdb_metabocards_official	NA	NA
+PJ120134	GSSCDMMMM 	C35H61N9O14S5	991.2942	NA	PeJP	NA	NA
+PJ120135	SSSCCCEHH 	C35H53N13O15S3	991.2947	NA	PeJP	NA	NA
+PJ120136	CCCQMMHH 	C36H57N13O10S5	991.2955	NA	PeJP	NA	NA
+PJ120137	SCDDDDHW 	C39H49N11O18S	991.2978	NA	PeJP	NA	NA
+PJ120138	GSSSSCCCCR 	C32H57N13O15S4	991.298	NA	PeJP	NA	NA
+PJ120139	SCCCNNYW 	C40H53N11O13S3	991.2987	NA	PeJP	NA	NA
+PJ120140	ACCCCCCKR 	C33H61N13O10S6	991.2989	NA	PeJP	NA	NA
+PJ120141	SSSDDDDDH 	C35H49N11O23	991.3003	NA	PeJP	NA	NA
+PJ120142	SSSCCNNDY 	C36H53N11O18S2	991.3012	NA	PeJP	NA	NA
+PJ120143	CCNNNMMY 	C37H57N11O13S4	991.302	NA	PeJP	NA	NA
+PJ120144	GGGGCCNMMY 	C37H57N11O13S4	991.3021	NA	PeJP	NA	NA
+PJ120145	CCCEYWW 	C45H53N9O11S3	991.3027	NA	PeJP	NA	NA
+PJ120146	PDDDDDDW 	C40H49N9O21	991.3044	NA	PeJP	NA	NA
+PJ120147	SSSSSSCCNM 	C33H57N11O18S3	991.3045	NA	PeJP	NA	NA
+PJ120148	GGSSSSTTCCC 	C33H57N11O18S3	991.3046	NA	PeJP	NA	NA
+PJ120149	SSCCDEYW 	C41H53N9O16S2	991.3052	NA	PeJP	NA	NA
+PJ120150	SSCCCCQKM 	C34H61N11O13S5	991.3054	NA	PeJP	NA	NA
+PJ120151	GCCCNNNQH 	C34H53N15O14S3	991.3059	NA	PeJP	NA	NA
+PJ120152	SPCCCMYW 	C42H57N9O11S4	991.3061	NA	PeJP	NA	NA
+PJ120153	CCCCMHHR 	C35H57N15O9S5	991.3068	NA	PeJP	NA	NA
+PJ120154	SSSSCDDEY 	C37H53N9O21S	991.3077	NA	PeJP	NA	NA
+PJ120155	SCNDEMMY 	C38H57N9O16S3	991.3086	NA	PeJP	NA	NA
+PJ120156	CCDYYYY 	C46H53N7O14S2	991.3092	NA	PeJP	NA	NA
+PJ120157	STCCMMMW 	C39H61N9O11S5	991.3094	NA	PeJP	NA	NA
+PJ120158	AAPCCCMMY 	C39H61N9O11S5	991.3095	NA	PeJP	NA	NA
+PJ120159	CCCNEHHF 	C39H53N13O12S3	991.3099	NA	PeJP	NA	NA
+PJ120160	GNNNNDDDD 	C34H49N13O22	991.3116	NA	PeJP	NA	NA
+PJ120161	SSSSCEMMM 	C35H61N9O16S4	991.3119	NA	PeJP	NA	NA
+PJ120162	CCDDDEHR 	C35H53N13O17S2	991.3124	NA	PeJP	NA	NA
+PJ120163	SCQMMMMM 	C36H65N9O11S6	991.3128	NA	PeJP	NA	NA
+PJ120164	CCCCNQRY 	C36H57N13O12S4	991.3133	NA	PeJP	NA	NA
+PJ120165	NDDDDDHF 	C39H49N11O20	991.3156	NA	PeJP	NA	NA
+PJ120166	CCNNNDFY 	C40H53N11O15S2	991.3164	NA	PeJP	NA	NA
+PJ120167	GCDDEMHW 	C40H53N11O15S2	991.3165	NA	PeJP	NA	NA
+PJ120168	SSCCCCCKR 	C33H61N13O12S5	991.3167	NA	PeJP	NA	NA
+PJ120169	ASSCDDEEH 	C36H53N11O20S	991.3189	NA	PeJP	NA	NA
+PJ120170	GSSDDDEMH 	C36H53N11O20S	991.319	NA	PeJP	NA	NA
+PJ120171	SCCDDMRY 	C37H57N11O15S3	991.3198	NA	PeJP	NA	NA
+PJ120172	CNDDDHHH 	C37H49N15O16S	991.3203	NA	PeJP	NA	NA
+PJ120173	GCCDDFFW 	C45H53N9O13S2	991.3205	NA	PeJP	NA	NA
+PJ120174	APPCCCMMH 	C38H61N11O10S5	991.3207	NA	PeJP	NA	NA
+PJ120175	GSSSSSSSTCC 	C33H57N11O20S2	991.3223	NA	PeJP	NA	NA
+PJ120176	GNDDDMYY 	C41H53N9O18S	991.323	NA	PeJP	NA	NA
+PJ120177	GSSSSCCCKM 	C34H61N11O15S4	991.3232	NA	PeJP	NA	NA
+PJ120178	SSCCNNNNH 	C34H53N15O16S2	991.3236	NA	PeJP	NA	NA
+PJ120179	GGSSCCNNNH 	C34H53N15O16S2	991.3237	NA	PeJP	NA	NA
+PJ120180	GSCDMMYW 	C42H57N9O13S3	991.3238	NA	PeJP	NA	NA
+PJ120181	SCCMMMMR 	C35H65N11O10S6	991.3241	NA	PeJP	NA	NA
+PJ120182	GPCCCCNHR 	C35H57N15O11S4	991.3245	NA	PeJP	NA	NA
+PJ120183	GCCCHHFW 	C43H53N13O9S3	991.3252	NA	PeJP	NA	NA
+PJ120184	GSPDDDEEE 	C37H53N9O23	991.3255	NA	PeJP	NA	NA
+MJ099200	Perdeacyleuojaponin; 1,6,9-Tribenzoyl, 2,8,14-tri-Ac 	C53H53NO18	991.326263	NA	MeJP	NA	NA
+PJ120185	GSSSDDMMY 	C38H57N9O18S2	991.3263	NA	PeJP	NA	NA
+PJ120186	GPPDDDDMM 	C38H57N9O18S2	991.3264	NA	PeJP	NA	NA
+PJ120187	GNDMMMMY 	C39H61N9O13S4	991.3272	NA	PeJP	NA	NA
+PJ120188	SCCNNEHW 	C39H53N13O14S2	991.3277	NA	PeJP	NA	NA
+PJ120189	CCMFYYY 	C47H57N7O11S3	991.3278	NA	PeJP	NA	NA
+PJ120190	SSSCNNDEH 	C35H53N13O19S	991.3302	NA	PeJP	NA	NA
+PJ120191	GSSSMMMMM 	C36H65N9O13S5	991.3306	NA	PeJP	NA	NA
+PJ120192	GSSCCCNRY 	C36H57N13O14S3	991.331	NA	PeJP	NA	NA
+PJ120193	GGGSSCCCRY 	C36H57N13O14S3	991.3311	NA	PeJP	NA	NA
+PJ120194	CDDMHWW 	C44H53N11O12S2	991.3317	NA	PeJP	NA	NA
+PJ120195	CCCKMMHH 	C37H61N13O9S5	991.3319	NA	PeJP	NA	NA
+PJ120196	SSDDDMHW 	C40H53N11O17S	991.3342	NA	PeJP	NA	NA
+PJ120197	SPCCEMHW 	C41H57N11O12S3	991.3351	NA	PeJP	NA	NA
+PJ120198	SSSSDDEEH 	C36H53N11O22	991.3367	NA	PeJP	NA	NA
+PJ120199	SSSSCNNMY 	C37H57N11O17S2	991.3376	NA	PeJP	NA	NA
+PJ120200	CNDEYYW 	C45H53N9O15S	991.3382	NA	PeJP	NA	NA
+PJ120201	GCCEMMRY 	C38H61N11O12S4	991.3384	NA	PeJP	NA	NA
+PJ120202	GGGACCCKMY 	C38H61N11O12S4	991.3385	NA	PeJP	NA	NA
+PJ120203	GSPCCDHHH 	C38H53N15O13S2	991.3389	NA	PeJP	NA	NA
+PJ120204	TCCMYWW 	C46H57N9O10S3	991.3391	NA	PeJP	NA	NA
+PJ120205	SSSSSSSSSSC 	C33H57N11O22S	991.3401	NA	PeJP	NA	NA
+PJ120206	SPDDDEEW 	C41H53N9O20	991.3407	NA	PeJP	NA	NA
+PJ120207	SSSSSTCCCK 	C34H61N11O17S3	991.3409	NA	PeJP	NA	NA
+PJ120208	GCNNNNNNE 	C34H53N15O18S	991.3414	NA	PeJP	NA	NA
+PJ120209	GGGGGGGGGGGCNE 	C34H53N15O18S	991.3415	NA	PeJP	NA	NA
+PJ120210	SSSCEMYW 	C42H57N9O15S2	991.3416	NA	PeJP	NA	NA
+PJ120211	SSCCCCKKM 	C35H65N11O12S5	991.3418	NA	PeJP	NA	NA
+PJ120212	CCNNDMHR 	C35H57N15O13S3	991.3423	NA	PeJP	NA	NA
+PJ120213	CQMMMYW 	C43H61N9O10S4	991.3424	NA	PeJP	NA	NA
+PJ120214	GACMMMYW 	C43H61N9O10S4	991.3425	NA	PeJP	NA	NA
+PJ120215	GSCCNHWW 	C43H53N13O11S2	991.3429	NA	PeJP	NA	NA
+PJ120216	SSSSSDEMY 	C38H57N9O20S	991.3441	NA	PeJP	NA	NA
+PJ120217	SSNEMMMY 	C39H61N9O15S3	991.345	NA	PeJP	NA	NA
+PJ120218	GSSSCNDHW 	C39H53N13O16S	991.3454	NA	PeJP	NA	NA
+PJ120219	GGGGCNDEHF 	C39H53N13O16S	991.3455	NA	PeJP	NA	NA
+PJ120220	SCMYYYY 	C47H57N7O13S2	991.3456	NA	PeJP	NA	NA
+PJ120221	GNMMMMMF 	C40H65N9O10S5	991.3458	NA	PeJP	NA	NA
+PJ120222	GCNNMMHW 	C40H57N13O11S3	991.3463	NA	PeJP	NA	NA
+PJ120223	NNDDDDER 	C35H53N13O21	991.3479	NA	PeJP	NA	NA
+PJ120224	GGNDDDDER 	C35H53N13O21	991.348	NA	PeJP	NA	NA
+PJ120225	EEEEMYY 	C43H57N7O18S	991.3481	NA	PeJP	NA	NA
+PJ120226	SSSSTMMMM 	C36H65N9O15S4	991.3483	NA	PeJP	NA	NA
+PJ120227	SCDDEMHR 	C36H57N13O16S2	991.3488	NA	PeJP	NA	NA
+PJ120228	SCKMMMMM 	C37H69N9O10S6	991.3492	NA	PeJP	NA	NA
+PJ120229	GPCNDDWW 	C44H53N11O14S	991.3495	NA	PeJP	NA	NA
+PJ120230	CCCCNKRY 	C37H61N13O11S4	991.3497	NA	PeJP	NA	NA
+PJ120231	CCNNQHHH 	C37H53N17O12S2	991.3501	NA	PeJP	NA	NA
+PJ120232	GGGGCCQHHH 	C37H53N17O12S2	991.3502	NA	PeJP	NA	NA
+PJ120233	PPCCCHFW 	C45H57N11O9S3	991.3503	NA	PeJP	NA	NA
+PJ120234	GNNDEEEW 	C40H53N11O19	991.352	NA	PeJP	NA	NA
+PJ120235	GSDEMMHW 	C41H57N11O14S2	991.3528	NA	PeJP	NA	NA
+PJ120236	GCDYYWW 	C49H53N9O12S	991.3535	NA	PeJP	NA	NA
+PJ120237	CCMMRYW 	C42H61N11O9S4	991.3537	NA	PeJP	NA	NA
+PJ120238	GSSSSSSCQY 	C37H57N11O19S	991.3553	NA	PeJP	NA	NA
+PJ120239	GGGGGSPDEEM 	C37H57N11O19S	991.3554	NA	PeJP	NA	NA
+PJ120240	GSSDDYYW 	C45H53N9O17	991.356	NA	PeJP	NA	NA
+PJ120241	SSCDMMRY 	C38H61N11O14S3	991.3562	NA	PeJP	NA	NA
+PJ120242	CNNNNNNW 	C38H53N15O15S	991.3567	NA	PeJP	NA	NA
+PJ120243	GPTCCYYW 	C46H57N9O12S2	991.3568	NA	PeJP	NA	NA
+PJ120244	GGCEMFYW 	C46H57N9O12S2	991.3569	NA	PeJP	NA	NA
+PJ120245	ACCMMMFR 	C39H65N11O9S5	991.3571	NA	PeJP	NA	NA
+PJ120246	GCCCQHRW 	C39H57N15O10S3	991.3575	NA	PeJP	NA	NA
+PJ120247	SSNNNNNND 	C34H53N15O20	991.3592	NA	PeJP	NA	NA
+PJ120248	GSNEEMYY 	C42H57N9O17S	991.3593	NA	PeJP	NA	NA
+PJ120249	GPDEEEMW 	C42H57N9O17S	991.3594	NA	PeJP	NA	NA
+PJ120250	GSSCCNEHR 	C35H57N15O15S2	991.36	NA	PeJP	NA	NA
+PJ120251	GGGSSCCEHR 	C35H57N15O15S2	991.3601	NA	PeJP	NA	NA
+PJ120252	GSSMMMYW 	C43H61N9O12S3	991.3602	NA	PeJP	NA	NA
+PJ120253	GCNNDHFW 	C43H53N13O13S	991.3607	NA	PeJP	NA	NA
+PJ120254	CCFFFYY 	C51H57N7O10S2	991.3609	NA	PeJP	NA	NA
+PJ120255	AQEEEEEE 	C38H57N9O22	991.3619	NA	PeJP	NA	NA
+PJ120256	GSSSTEMMY 	C39H61N9O17S2	991.3627	NA	PeJP	NA	NA
+PJ120257	GNDDDDRW 	C39H53N13O18	991.3632	NA	PeJP	NA	NA
+PJ120258	GTQMMMMY 	C40H65N9O12S4	991.3636	NA	PeJP	NA	NA
+PJ120259	SSCNQMHW 	C40H57N13O13S2	991.3641	NA	PeJP	NA	NA
+PJ120260	SSSTCDQQH 	C36H57N13O18S	991.3665	NA	PeJP	NA	NA
+PJ120261	GSPCNDDER 	C36H57N13O18S	991.3666	NA	PeJP	NA	NA
+PJ120262	NNDEEWW 	C44H53N11O16	991.3672	NA	PeJP	NA	NA
+PJ120263	GDDMMMHR 	C37H61N13O13S3	991.3674	NA	PeJP	NA	NA
+PJ120264	GGGPPCCDMR 	C37H61N13O13S3	991.3675	NA	PeJP	NA	NA
+PJ120265	GSSCNNHHH 	C37H53N17O14S	991.3679	NA	PeJP	NA	NA
+PJ120266	SDMMHWW 	C45H57N11O11S2	991.3681	NA	PeJP	NA	NA
+PJ120267	PCCCHHHR 	C38H57N17O9S3	991.3688	NA	PeJP	NA	NA
+PJ120268	SSSEEMHW 	C41H57N11O16S	991.3706	NA	PeJP	NA	NA
+PJ120269	QEMMMHW 	C42H61N11O11S3	991.3715	NA	PeJP	NA	NA
+PJ120270	GSCEHHHW 	C42H53N15O12S	991.3719	NA	PeJP	NA	NA
+PJ120271	GCMFYWW 	C50H57N9O9S2	991.3721	NA	PeJP	NA	NA
+PJ120272	SSSSSSSSNY 	C37H57N11O21	991.3731	NA	PeJP	NA	NA
+PJ120273	SSSSCCQKY 	C38H61N11O16S2	991.3739	NA	PeJP	NA	NA
+PJ120274	GGSSSTCCKY 	C38H61N11O16S2	991.374	NA	PeJP	NA	NA
+PJ120275	GSSSDEHHH 	C38H53N15O17	991.3744	NA	PeJP	NA	NA
+PJ120276	GGGGGSPDDHH 	C38H53N15O17	991.3745	NA	PeJP	NA	NA
+PJ120277	PDEEMWW 	C46H57N9O14S	991.3746	NA	PeJP	NA	NA
+PJ120278	GTCMMMRY 	C39H65N11O11S4	991.3748	NA	PeJP	NA	NA
+PJ120279	SSCCNHRW 	C39H57N15O12S2	991.3753	NA	PeJP	NA	NA
+PJ120280	CQMMFFW 	C47H61N9O9S3	991.3755	NA	PeJP	NA	NA
+PJ120281	AAEEEEEW 	C42H57N9O19	991.3771	NA	PeJP	NA	NA
+PJ120282	SSSSCNDHR 	C35H57N15O17S	991.3778	NA	PeJP	NA	NA
+PJ120283	SSSTMMYW 	C43H61N9O14S2	991.378	NA	PeJP	NA	NA
+PJ120284	GSNNNDWW 	C43H53N13O15	991.3784	NA	PeJP	NA	NA
+PJ120285	GGGGGSNDWW 	C43H53N13O15	991.3785	NA	PeJP	NA	NA
+PJ120286	ACFYYYY 	C51H57N7O12S	991.3786	NA	PeJP	NA	NA
+PJ120287	SCNNMMHR 	C36H61N15O12S3	991.3787	NA	PeJP	NA	NA
+PJ120288	CKMMMYW 	C44H65N9O9S4	991.3788	NA	PeJP	NA	NA
+PJ120289	PPPCMMMW 	C44H65N9O9S4	991.3789	NA	PeJP	NA	NA
+PJ120290	GCNMHHFF 	C44H57N13O10S2	991.3793	NA	PeJP	NA	NA
+PJ120291	SSSSTTEMY 	C39H61N9O19S	991.3805	NA	PeJP	NA	NA
+PJ120292	PEEEYYY 	C47H57N7O17	991.3811	NA	PeJP	NA	NA
+PJ120293	SSDKMMMY 	C40H65N9O14S3	991.3813	NA	PeJP	NA	NA
+PJ120294	PPQEEMMM 	C40H65N9O14S3	991.3814	NA	PeJP	NA	NA
+PJ120295	SPCNDDRW 	C40H57N13O15S	991.3818	NA	PeJP	NA	NA
+PJ120296	GGGGGGGGAEMW 	C40H57N13O15S	991.3819	NA	PeJP	NA	NA
+PJ120297	ACKMMMMF 	C41H69N9O9S5	991.3822	NA	PeJP	NA	NA
+3430	NA	QTSMTDFY	991.3823	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ120298	GNDEWWW 	C48H53N11O13	991.3825	NA	PeJP	NA	NA
+PJ120299	CEMMHRW 	C41H61N13O10S3	991.3827	NA	PeJP	NA	NA
+PJ120300	SNNDEEER 	C36H57N13O20	991.3843	NA	PeJP	NA	NA
+PJ120301	GGGGGGGGGTTEE 	C36H57N13O20	991.3844	NA	PeJP	NA	NA
+PJ120302	SSDEMMHR 	C37H61N13O15S2	991.3852	NA	PeJP	NA	NA
+PJ120303	NNNNNEHH 	C37H53N17O16	991.3857	NA	PeJP	NA	NA
+PJ120304	GSPNDMWW 	C45H57N11O13S	991.3858	NA	PeJP	NA	NA
+PJ120305	GGGSPDMWW 	C45H57N11O13S	991.3859	NA	PeJP	NA	NA
+PJ120306	SPCMMMHR 	C38H65N13O10S4	991.3861	NA	PeJP	NA	NA
+PJ120307	GCDMHHHR 	C38H57N17O11S2	991.3865	NA	PeJP	NA	NA
+PJ120308	GGGGCCKHHH 	C38H57N17O11S2	991.3866	NA	PeJP	NA	NA
+PJ120309	AMMMHWW 	C46H61N11O8S3	991.3867	NA	PeJP	NA	NA
+PJ120310	SCHHHWW 	C46H53N15O9S	991.3872	NA	PeJP	NA	NA
+PJ120311	GSQQEEEW 	C41H57N11O18	991.3883	NA	PeJP	NA	NA
+PJ120312	DEEEERW 	C41H57N11O18	991.3884	NA	PeJP	NA	NA
+PJ120313	GSCNNNNNR 	C34H57N17O16S	991.389	NA	PeJP	NA	NA
+PJ120314	GGGGGGGSCNNR 	C34H57N17O16S	991.3891	NA	PeJP	NA	NA
+PJ120315	GTTEMMHW 	C42H61N11O13S2	991.3892	NA	PeJP	NA	NA
+PJ120316	SSSDHHHW 	C42H53N15O14	991.3897	NA	PeJP	NA	NA
+PJ120317	GSMYYWW 	C50H57N9O11S	991.3899	NA	PeJP	NA	NA
+PJ120318	NMMHHHW 	C43H57N15O9S2	991.3905	NA	PeJP	NA	NA
+PJ120319	GGMMHHHW 	C43H57N15O9S2	991.3906	NA	PeJP	NA	NA
+PJ120320	GSSSSSSCKY 	C38H61N11O18S	991.3917	NA	PeJP	NA	NA
+PJ120321	NQEEFYY 	C46H57N9O16	991.3923	NA	PeJP	NA	NA
+PJ120322	VDEEEWW 	C46H57N9O16	991.3924	NA	PeJP	NA	NA
+PJ120323	SSSMMMRY 	C39H65N11O13S3	991.3926	NA	PeJP	NA	NA
+PJ120324	GCNNNERW 	C39H57N15O14S	991.3931	NA	PeJP	NA	NA
+PJ120325	AQMMYYW 	C47H61N9O11S2	991.3932	NA	PeJP	NA	NA
+PJ120326	PDDHHWW 	C47H53N13O12	991.3937	NA	PeJP	NA	NA
+PJ120327	GCCCKHRW 	C40H61N15O9S3	991.3939	NA	PeJP	NA	NA
+PJ120328	GCQHHHHH 	C40H53N19O10S	991.3944	NA	PeJP	NA	NA
+PJ120329	SSSNNNNQQ 	C35H57N15O19	991.3955	NA	PeJP	NA	NA
+PJ120330	SNDDDDRR 	C35H57N15O19	991.3956	NA	PeJP	NA	NA
+PJ120331	APTEEEMW 	C43H61N9O16S	991.3957	NA	PeJP	NA	NA
+PJ120332	GGPPEEEMF 	C43H61N9O16S	991.3958	NA	PeJP	NA	NA
+PJ120333	GTYYYYY 	C51H57N7O14	991.3964	NA	PeJP	NA	NA
+PJ120334	GGGGGGGSPCMR 	C36H61N15O14S2	991.3965	NA	PeJP	NA	NA
+PJ120335	APPEMMMW 	C44H65N9O11S3	991.3966	NA	PeJP	NA	NA
+PJ120336	NNNQMWW 	C44H57N13O12S	991.3971	NA	PeJP	NA	NA
+PJ120337	NDWWWW 	C52H53N11O10	991.3977	NA	PeJP	NA	NA
+PJ120338	AKEEEEEE 	C39H61N9O21	991.3982	NA	PeJP	NA	NA
+PJ120339	AASVEEEEE 	C39H61N9O21	991.3983	NA	PeJP	NA	NA
+PJ120340	SSSSSLMMY 	C40H65N9O16S2	991.3991	NA	PeJP	NA	NA
+PJ120341	GSNDEERW 	C40H57N13O17	991.3996	NA	PeJP	NA	NA
+PJ120342	GTKMMMMY 	C41H69N9O11S4	991.4	NA	PeJP	NA	NA
+PJ120343	SSCNKMHW 	C41H61N13O12S2	991.4004	NA	PeJP	NA	NA
+PJ120344	GPCNEMRW 	C41H61N13O12S2	991.4005	NA	PeJP	NA	NA
+PJ120345	GNNNNHHW 	C41H53N17O13	991.4009	NA	PeJP	NA	NA
+PJ120346	GGGGGGGGGHHW 	C41H53N17O13	991.401	NA	PeJP	NA	NA
+PJ120347	SPCQWWW 	C49H57N11O10S	991.4011	NA	PeJP	NA	NA
+PJ120348	GSPTCDQER 	C37H61N13O17S	991.4029	NA	PeJP	NA	NA
+PJ120349	GNQEEEMR 	C37H61N13O17S	991.403	NA	PeJP	NA	NA
+PJ120350	SQQEEWW 	C45H57N11O15	991.4036	NA	PeJP	NA	NA
+PJ120351	GTEMMMHR 	C38H65N13O12S3	991.4038	NA	PeJP	NA	NA
+PJ120352	SSCEHHHR 	C38H57N17O13S	991.4043	NA	PeJP	NA	NA
+PJ120353	TTMMHWW 	C46H61N11O10S2	991.4045	NA	PeJP	NA	NA
+PJ120354	NDHHHFW 	C46H53N15O11	991.4049	NA	PeJP	NA	NA
+PJ120355	GGDHHHFW 	C46H53N15O11	991.405	NA	PeJP	NA	NA
+PJ120356	GCFFFWW 	C54H57N9O8S	991.4051	NA	PeJP	NA	NA
+PJ120357	STTTEMHW 	C42H61N11O15S	991.407	NA	PeJP	NA	NA
+PJ120358	SSTYYWW 	C50H57N9O13	991.4076	NA	PeJP	NA	NA
+PJ120359	GSSSCCHRR 	C35H61N17O13S2	991.4077	NA	PeJP	NA	NA
+PJ120360	KEMMMHW 	C43H65N11O10S3	991.4078	NA	PeJP	NA	NA
+PJ120361	GAPPCCKMW 	C43H65N11O10S3	991.4079	NA	PeJP	NA	NA
+PJ120362	CNNNRWW 	C43H57N15O11S	991.4083	NA	PeJP	NA	NA
+PJ120363	ATEEEEER 	C38H61N11O20	991.4095	NA	PeJP	NA	NA
+PJ120364	SSSSCCKKY 	C39H65N11O15S2	991.4103	NA	PeJP	NA	NA
+PJ120365	APEEEMMR 	C39H65N11O15S2	991.4104	NA	PeJP	NA	NA
+PJ120366	SSNNNDRW 	C39H57N15O16	991.4108	NA	PeJP	NA	NA
+PJ120367	GGGGGGGGGGGAQF 	C39H57N15O16	991.4109	NA	PeJP	NA	NA
+PJ120368	SDKMYYW 	C47H61N9O13S	991.411	NA	PeJP	NA	NA
+PJ120369	SPKMMMMH 	C40H69N11O10S4	991.4112	NA	PeJP	NA	NA
+PJ120370	GPCCDRRW 	C40H61N15O11S2	991.4117	NA	PeJP	NA	NA
+PJ120371	CKMMFFW 	C48H65N9O8S3	991.4119	NA	PeJP	NA	NA
+PJ120372	SSNHHHHH 	C40H53N19O12	991.4122	NA	PeJP	NA	NA
+PJ120373	GTLEEEEW 	C43H61N9O18	991.4135	NA	PeJP	NA	NA
+PJ120374	GNDDEMRR 	C36H61N15O16S	991.4142	NA	PeJP	NA	NA
+PJ120375	GPLEEMMW 	C44H65N9O13S2	991.4144	NA	PeJP	NA	NA
+PJ120376	SNDERWW 	C44H57N13O14	991.4148	NA	PeJP	NA	NA
+PJ120377	GGGGGGGTTWW 	C44H57N13O14	991.4149	NA	PeJP	NA	NA
+PJ120378	GPPTCCCRR 	C37H65N15O11S3	991.4151	NA	PeJP	NA	NA
+PJ120379	PCNMRWW 	C45H61N13O9S2	991.4157	NA	PeJP	NA	NA
+PJ120380	MHFWWW 	C53H57N11O7S	991.4164	NA	PeJP	NA	NA
+PJ120381	SSTTTTTMY 	C40H65N9O18S	991.4168	NA	PeJP	NA	NA
+PJ120382	PTKEEEEM 	C40H65N9O18S	991.4169	NA	PeJP	NA	NA
+PJ120383	LEEEFYY 	C48H61N7O16	991.4175	NA	PeJP	NA	NA
+PJ120384	STTKMMMY 	C41H69N9O13S3	991.4177	NA	PeJP	NA	NA
+PJ120385	NQEEMRW 	C41H61N13O14S	991.4182	NA	PeJP	NA	NA
+PJ120386	ASQEWWW 	C49H57N11O12	991.4188	NA	PeJP	NA	NA
+PJ120387	GTQEWWW 	C49H57N11O12	991.4189	NA	PeJP	NA	NA
+PJ120388	TMMMHRW 	C42H65N13O9S3	991.4191	NA	PeJP	NA	NA
+PJ120389	PPCQHHHH 	C42H57N17O10S	991.4196	NA	PeJP	NA	NA
+PJ120390	SSQQEEER 	C37H61N13O19	991.4207	NA	PeJP	NA	NA
+PJ120391	STTEMMHR 	C38H65N13O14S2	991.4216	NA	PeJP	NA	NA
+PJ120392	NNNNDKHH 	C38H57N17O15	991.422	NA	PeJP	NA	NA
+PJ120393	GNNEEHHR 	C38H57N17O15	991.4221	NA	PeJP	NA	NA
+PJ120394	VNQEMWW 	C46H61N11O12S	991.4222	NA	PeJP	NA	NA
+PJ120395	GGGGGPPPCFF 	C46H61N11O12S	991.4223	NA	PeJP	NA	NA
+PJ120396	GVMMMMHR 	C39H69N13O9S4	991.4225	NA	PeJP	NA	NA
+PJ120397	QFYYWW 	C54H57N9O10	991.4229	NA	PeJP	NA	NA
+PJ120398	MHHHHFF 	C47H57N15O8S	991.4236	NA	PeJP	NA	NA
+PJ120399	GSQKEEEW 	C42H61N11O17	991.4247	NA	PeJP	NA	NA
+PJ120400	GGGGGGPLEEY 	C42H61N11O17	991.4248	NA	PeJP	NA	NA
+PJ120401	GCDDDRRR 	C35H61N17O15S	991.4254	NA	PeJP	NA	NA
+MJ099201	Demoxytocin 	C43H65N11O12S2	991.425557	NA	MeJP	NA	NA
+PJ120402	SSTLMMHW 	C43H65N11O12S2	991.4256	NA	PeJP	NA	NA
+PJ120403	SSTTHHHW 	C43H57N15O13	991.4261	NA	PeJP	NA	NA
+PJ120404	AQMFFYW 	C51H61N9O10S	991.4262	NA	PeJP	NA	NA
+PJ120405	PPEMFWW 	C51H61N9O10S	991.4263	NA	PeJP	NA	NA
+PJ120406	GLEEEEMR 	C39H65N11O17S	991.4281	NA	PeJP	NA	NA
+PJ120407	SSSSLYYW 	C47H61N9O15	991.4287	NA	PeJP	NA	NA
+PJ120408	TLEEEWW 	C47H61N9O15	991.4288	NA	PeJP	NA	NA
+PJ120409	PPTEMMMR 	C40H69N11O12S3	991.429	NA	PeJP	NA	NA
+PJ120410	NDDMRRW 	C40H61N15O13S	991.4294	NA	PeJP	NA	NA
+PJ120411	GGDDMRRW 	C40H61N15O13S	991.4295	NA	PeJP	NA	NA
+PJ120412	PLEMMWW 	C48H65N9O10S2	991.4296	NA	PeJP	NA	NA
+PJ120413	GSDRWWW 	C48H57N13O11	991.4301	NA	PeJP	NA	NA
+PJ120414	GCKHHHHH 	C41H57N19O9S	991.4308	NA	PeJP	NA	NA
+PJ120415	SSNDEERR 	C36H61N15O18	991.4319	NA	PeJP	NA	NA
+PJ120416	GGSSDEERR 	C36H61N15O18	991.432	NA	PeJP	NA	NA
+PJ120417	GVLEEEMW 	C44H65N9O15S	991.4321	NA	PeJP	NA	NA
+PJ120418	SPCNEMRR 	C37H65N15O13S2	991.4328	NA	PeJP	NA	NA
+PJ120419	SPPLMMMW 	C45H69N9O10S3	991.433	NA	PeJP	NA	NA
+PJ120420	SNNNNHHR 	C37H57N19O14	991.4333	NA	PeJP	NA	NA
+PJ120421	CNQQKWW 	C45H61N13O11S	991.4334	NA	PeJP	NA	NA
+PJ120422	GQEMRWW 	C45H61N13O11S	991.4335	NA	PeJP	NA	NA
+PJ120423	MMMMHRR 	C38H69N15O8S4	991.4337	NA	PeJP	NA	NA
+PJ120424	TQWWWW 	C53H57N11O9	991.4341	NA	PeJP	NA	NA
+PJ120425	SLKEEEEE 	C40H65N9O20	991.4346	NA	PeJP	NA	NA
+PJ120426	PVKEEEMM 	C41H69N9O15S2	991.4355	NA	PeJP	NA	NA
+PJ120427	STNNNKEW 	C41H61N13O16	991.4359	NA	PeJP	NA	NA
+PJ120428	GSTQEERW 	C41H61N13O16	991.436	NA	PeJP	NA	NA
+PJ120429	AAPPLMMMM 	C42H73N9O10S4	991.4364	NA	PeJP	NA	NA
+PJ120430	GSPQMMRW 	C42H65N13O11S2	991.4368	NA	PeJP	NA	NA
+PJ120431	GGGGPCCKKW 	C42H65N13O11S2	991.4369	NA	PeJP	NA	NA
+PJ120432	NNEHHRW 	C42H57N17O12	991.4373	NA	PeJP	NA	NA
+PJ120433	GVQMWWW 	C50H61N11O9S	991.4375	NA	PeJP	NA	NA
+PJ120434	GNKEEEMR 	C38H65N13O16S	991.4393	NA	PeJP	NA	NA
+PJ120435	GGGKEEEMR 	C38H65N13O16S	991.4394	NA	PeJP	NA	NA
+PJ120436	SQKEEWW 	C46H61N11O14	991.44	NA	PeJP	NA	NA
+PJ120437	SSLMMMHR 	C39H69N13O11S3	991.4402	NA	PeJP	NA	NA
+PJ120438	GSCNNRRW 	C39H61N17O12S	991.4407	NA	PeJP	NA	NA
+PJ120439	PNKMMWW 	C47H65N11O9S2	991.4409	NA	PeJP	NA	NA
+PJ120440	AQQHHWW 	C47H57N15O10	991.4413	NA	PeJP	NA	NA
+PJ120441	GSSSNNDRR 	C35H61N17O17	991.4432	NA	PeJP	NA	NA
+PJ120442	ASLQQEMW 	C43H65N11O14S	991.4433	NA	PeJP	NA	NA
+PJ120443	LEEEMRW 	C43H65N11O14S	991.4434	NA	PeJP	NA	NA
+PJ120444	PVEEFWW 	C51H61N9O12	991.444	NA	PeJP	NA	NA
+PJ120445	SPCCDRRR 	C36H65N17O12S2	991.4441	NA	PeJP	NA	NA
+PJ120446	PPCCKKMW 	C44H69N11O9S3	991.4442	NA	PeJP	NA	NA
+PJ120447	GCERRWW 	C44H61N15O10S	991.4447	NA	PeJP	NA	NA
+PJ120448	TTTTTTTEH 	C39H65N11O19	991.4458	NA	PeJP	NA	NA
+PJ120449	STLEEEER 	C39H65N11O19	991.4459	NA	PeJP	NA	NA
+PJ120450	SPLEEMMR 	C40H69N11O14S2	991.4467	NA	PeJP	NA	NA
+PJ120451	GGGGGALLEMM 	C40H69N11O14S2	991.4468	NA	PeJP	NA	NA
+PJ120452	GSSDERRW 	C40H61N15O15	991.4472	NA	PeJP	NA	NA
+PJ120453	VLEEMWW 	C48H65N9O12S	991.4474	NA	PeJP	NA	NA
+PJ120454	PPVMMMMR 	C41H73N11O9S4	991.4476	NA	PeJP	NA	NA
+PJ120455	GSPCMRRW 	C41H65N15O10S2	991.4481	NA	PeJP	NA	NA
+PJ120456	GPDHHHHR 	C41H57N19O11	991.4486	NA	PeJP	NA	NA
+PJ120457	QMRWWW 	C49H61N13O8S	991.4487	NA	PeJP	NA	NA
+PJ120458	SSLLEEEW 	C44H65N9O17	991.4499	NA	PeJP	NA	NA
+PJ120459	GSQEEMRR 	C37H65N15O15S	991.4506	NA	PeJP	NA	NA
+PJ120460	KKEMMYY 	C45H69N9O12S2	991.4507	NA	PeJP	NA	NA
+PJ120461	SPVLEMMW 	C45H69N9O12S2	991.4508	NA	PeJP	NA	NA
+PJ120462	STQERWW 	C45H61N13O13	991.4512	NA	PeJP	NA	NA
+PJ120463	GGGGGGGGALFW 	C45H61N13O13	991.4513	NA	PeJP	NA	NA
+PJ120464	GPNMMMRR 	C38H69N15O10S3	991.4514	NA	PeJP	NA	NA
+PJ120465	GGGPMMMRR 	C38H69N15O10S3	991.4515	NA	PeJP	NA	NA
+PJ120466	CLMHFRW 	C46H65N13O8S2	991.4521	NA	PeJP	NA	NA
+PJ120467	GNHHRWW 	C46H57N17O9	991.4526	NA	PeJP	NA	NA
+PJ120468	APTTTLEEM 	C41H69N9O17S	991.4532	NA	PeJP	NA	NA
+PJ120469	VVKEEEEM 	C41H69N9O17S	991.4533	NA	PeJP	NA	NA
+PJ120470	LLEEYYY 	C49H65N7O15	991.4539	NA	PeJP	NA	NA
+PJ120471	PLLQEMMM 	C42H73N9O12S3	991.4541	NA	PeJP	NA	NA
+PJ120472	NKEEMRW 	C42H65N13O13S	991.4546	NA	PeJP	NA	NA
+PJ120473	GTKEWWW 	C50H61N11O11	991.4552	NA	PeJP	NA	NA
+PJ120474	GGGGPLYWW 	C50H61N11O11	991.4553	NA	PeJP	NA	NA
+PJ120475	QMHHHFR 	C43H61N17O9S	991.4559	NA	PeJP	NA	NA
+PJ120476	SSQKEEER 	C38H65N13O18	991.4571	NA	PeJP	NA	NA
+PJ120477	SPNKEMMR 	C39H69N13O13S2	991.458	NA	PeJP	NA	NA
+PJ120478	GNNNDFRR 	C39H61N17O14	991.4584	NA	PeJP	NA	NA
+PJ120479	GGGGGNDFRR 	C39H61N17O14	991.4585	NA	PeJP	NA	NA
+PJ120480	VNKEMWW 	C47H65N11O11S	991.4586	NA	PeJP	NA	NA
+PJ120481	KFYYWW 	C55H61N9O9	991.4593	NA	PeJP	NA	NA
+PJ120482	CRRWWW 	C48H61N15O7S	991.46	NA	PeJP	NA	NA
+PJ120483	GSKKEEEW 	C43H65N11O16	991.4611	NA	PeJP	NA	NA
+PJ120484	GSDDMRRR 	C36H65N17O14S	991.4618	NA	PeJP	NA	NA
+PJ120485	GPDKKMMW 	C44H69N11O11S2	991.462	NA	PeJP	NA	NA
+PJ120486	NNQQFRW 	C44H61N15O12	991.4624	NA	PeJP	NA	NA
+PJ120487	SSDRRWW 	C44H61N15O12	991.4625	NA	PeJP	NA	NA
+PJ120488	PPLMYWW 	C52H65N9O9S	991.4626	NA	PeJP	NA	NA
+PJ120489	APCCMRRR 	C37H69N17O9S3	991.4627	NA	PeJP	NA	NA
+PJ120490	SVLEEEMR 	C40H69N11O16S	991.4645	NA	PeJP	NA	NA
+PJ120491	GPVLEEYW 	C48H65N9O14	991.4651	NA	PeJP	NA	NA
+PJ120492	GPPVVDDFF 	C48H65N9O14	991.4652	NA	PeJP	NA	NA
+PJ120493	PVVEMMMR 	C41H73N11O11S3	991.4654	NA	PeJP	NA	NA
+PJ120494	SQEMRRW 	C41H65N15O12S	991.4658	NA	PeJP	NA	NA
+PJ120495	GGGGGGPCKFR 	C41H65N15O12S	991.4659	NA	PeJP	NA	NA
+PJ120496	APPLMMFW 	C49H69N9O9S2	991.466	NA	PeJP	NA	NA
+PJ120497	GTTRWWW 	C49H61N13O10	991.4665	NA	PeJP	NA	NA
+PJ120498	CHHHFRR 	C42H61N19O8S	991.4672	NA	PeJP	NA	NA
+PJ120499	SSTQEERR 	C37H65N15O17	991.4683	NA	PeJP	NA	NA
+PJ120500	GGGGGGGGSSSKK 	C37H65N15O17	991.4684	NA	PeJP	NA	NA
+PJ120501	ATLLEEMW 	C45H69N9O14S	991.4685	NA	PeJP	NA	NA
+MJ099202	Antibiotic CBS 154-94B; Me ester 	C53H65N7O12	991.46912	NA	MeJP	NA	NA
+PJ120502	AAQEMMRR 	C38H69N15O12S2	991.4692	NA	PeJP	NA	NA
+PJ120503	APLLMMMW 	C46H73N9O9S3	991.4694	NA	PeJP	NA	NA
+PJ120504	GSNEHHRR 	C38H61N19O13	991.4697	NA	PeJP	NA	NA
+PJ120505	ADKMRWW 	C46H65N13O10S	991.4698	NA	PeJP	NA	NA
+MJ099203	WWamide 1; 2-L-Arginine analogue 	C46H65N13O10S	991.469806	NA	MeJP	NA	NA
+PJ120506	GKEMRWW 	C46H65N13O10S	991.4699	NA	PeJP	NA	NA
+PJ120507	TKWWWW 	C54H61N11O8	991.4705	NA	PeJP	NA	NA
+PJ120508	GTTTLLEEE 	C41H69N9O19	991.471	NA	PeJP	NA	NA
+PJ120509	VLLQEEMM 	C42H73N9O14S2	991.4719	NA	PeJP	NA	NA
+PJ120510	ASSKEERW 	C42H65N13O15	991.4723	NA	PeJP	NA	NA
+PJ120511	GSTKEERW 	C42H65N13O15	991.4724	NA	PeJP	NA	NA
+PJ120512	SSCNNRRR 	C35H65N19O13S	991.473	NA	PeJP	NA	NA
+PJ120513	GGGGSSCRRR 	C35H65N19O13S	991.4731	NA	PeJP	NA	NA
+PJ120514	GSPKMMRW 	C43H69N13O10S2	991.4732	NA	PeJP	NA	NA
+PJ120515	NDKHHRW 	C43H61N17O11	991.4737	NA	PeJP	NA	NA
+PJ120516	GVKMWWW 	C51H65N11O8S	991.4739	NA	PeJP	NA	NA
+PJ120517	GDKKEEMR 	C39H69N13O15S	991.4757	NA	PeJP	NA	NA
+PJ120518	SKKEEWW 	C47H65N11O13	991.4764	NA	PeJP	NA	NA
+PJ120519	APQKMMMR 	C40H73N13O10S3	991.4766	NA	PeJP	NA	NA
+PJ120520	SCERRRW 	C40H65N17O11S	991.4771	NA	PeJP	NA	NA
+PJ120521	LKMMHFW 	C48H69N11O8S2	991.4772	NA	PeJP	NA	NA
+2601	tachykinin family from white shrimp Penaeus vannam	APSGFLGMRG	991.4774	antibacterial	Inhouse_peptide	NA	peptide
+PJ120522	PPNHRWW 	C48H61N15O9	991.4777	NA	PeJP	NA	NA
+PJ120523	GSSSSQQRR 	C36H65N17O16	991.4795	NA	PeJP	NA	NA
+PJ120524	SSSDERRR 	C36H65N17O16	991.4796	NA	PeJP	NA	NA
+PJ120525	SSPKKEMW 	C44H69N11O13S	991.4797	NA	PeJP	NA	NA
+PJ120526	AAKKEEMW 	C44H69N11O13S	991.4798	NA	PeJP	NA	NA
+PJ120527	PVLEYWW 	C52H65N9O11	991.4804	NA	PeJP	NA	NA
+PJ120528	GGGGACKMRR 	C37H69N17O11S2	991.4805	NA	PeJP	NA	NA
+PJ120529	GTMRRWW 	C45H65N15O9S	991.4811	NA	PeJP	NA	NA
+PJ120530	TTQKKEEE 	C40H69N11O18	991.4822	NA	PeJP	NA	NA
+PJ120531	SDKKKEEE 	C40H69N11O18	991.4823	NA	PeJP	NA	NA
+PJ120532	ALLEEMMR 	C41H73N11O13S2	991.4831	NA	PeJP	NA	NA
+PJ120533	GSTTERRW 	C41H65N15O14	991.4836	NA	PeJP	NA	NA
+PJ120534	SPPVLMYW 	C49H69N9O11S	991.4838	NA	PeJP	NA	NA
+PJ120535	VNMMRRW 	C42H69N15O9S2	991.4845	NA	PeJP	NA	NA
+PJ120536	SNHHRRW 	C42H61N19O10	991.4849	NA	PeJP	NA	NA
+PJ120537	KMRWWW 	C50H65N13O7S	991.4851	NA	PeJP	NA	NA
+PJ120538	TTTLLEEW 	C45H69N9O16	991.4863	NA	PeJP	NA	NA
+PJ120539	ATTQEMRR 	C38H69N15O14S	991.4869	NA	PeJP	NA	NA
+PJ120540	GSKEEMRR 	C38H69N15O14S	991.487	NA	PeJP	NA	NA
+PJ120541	GLLLEMMW 	C46H73N9O11S2	991.4871	NA	PeJP	NA	NA
+PJ120542	STKERWW 	C46H65N13O12	991.4876	NA	PeJP	NA	NA
+PJ120543	APCKMMRR 	C39H73N15O9S3	991.4878	NA	PeJP	NA	NA
+PJ120544	QQMHHRR 	C39H65N19O10S	991.4883	NA	PeJP	NA	NA
+PJ120545	TLLKEEEM 	C42H73N9O16S	991.4896	NA	PeJP	NA	NA
+PJ120546	PLLKEMMM 	C43H77N9O11S3	991.4905	NA	PeJP	NA	NA
+PJ120547	DKKEMRW 	C43H69N13O12S	991.491	NA	PeJP	NA	NA
+PJ120548	SSLKWWW 	C51H65N11O10	991.4916	NA	PeJP	NA	NA
+PJ120549	CDMRRRR 	C36H69N19O10S2	991.4917	NA	PeJP	NA	NA
+PJ120550	KMHHHFR 	C44H65N17O8S	991.4923	NA	PeJP	NA	NA
+PJ120551	SSKKEEER 	C39H69N13O17	991.4935	NA	PeJP	NA	NA
+PJ120552	PTTQKMMR 	C40H73N13O12S2	991.4943	NA	PeJP	NA	NA
+PJ120553	GLQKEMMR 	C40H73N13O12S2	991.4944	NA	PeJP	NA	NA
+PJ120554	NQQQRRY 	C40H65N17O13	991.4948	NA	PeJP	NA	NA
+PJ120555	GGGGGGGAPLHR 	C40H65N17O13	991.4949	NA	PeJP	NA	NA
+PJ120556	VDKKMWW 	C48H69N11O10S	991.495	NA	PeJP	NA	NA
+PJ120557	PPLFFWW 	C56H65N9O8	991.4957	NA	PeJP	NA	NA
+PJ120558	ATTKKEEW 	C44H69N11O15	991.4975	NA	PeJP	NA	NA
+PJ120559	GSTEMRRR 	C37H69N17O13S	991.4982	NA	PeJP	NA	NA
+PJ120560	APTKKMMW 	C45H73N11O10S2	991.4984	NA	PeJP	NA	NA
+PJ120561	STTRRWW 	C45H65N15O11	991.4988	NA	PeJP	NA	NA
+PJ120562	GAAEFRRW 	C45H65N15O11	991.4989	NA	PeJP	NA	NA
+PJ120563	PLLMFWW 	C53H69N9O8S	991.499	NA	PeJP	NA	NA
+PJ120564	CQHHRRR 	C38H65N21O9S	991.4995	NA	PeJP	NA	NA
+PJ120565	TTLLEEMR 	C41H73N11O15S	991.5009	NA	PeJP	NA	NA
+PJ120566	APTLLEYW 	C49H69N9O13	991.5015	NA	PeJP	NA	NA
+PJ120567	PTLLMMMR 	C42H77N11O10S3	991.5017	NA	PeJP	NA	NA
+PJ120568	GGPLKKMMM 	C42H77N11O10S3	991.5018	NA	PeJP	NA	NA
+PJ120569	SKEMRRW 	C42H69N15O11S	991.5022	NA	PeJP	NA	NA
+PJ120570	LLLMMWW 	C50H73N9O8S2	991.5024	NA	PeJP	NA	NA
+PJ120571	GPKRYWW 	C50H65N13O9	991.5029	NA	PeJP	NA	NA
+PJ120572	SSTKEERR 	C38H69N15O16	991.5047	NA	PeJP	NA	NA
+PJ120573	STLLLEMW 	C46H73N9O13S	991.5049	NA	PeJP	NA	NA
+PJ120574	AAKEMMRR 	C39H73N15O11S2	991.5056	NA	PeJP	NA	NA
+PJ120575	NNNRRRY 	C39H65N19O12	991.506	NA	PeJP	NA	NA
+PJ120576	GGNNRRRY 	C39H65N19O12	991.5061	NA	PeJP	NA	NA
+PJ120577	SVKMRWW 	C47H69N13O9S	991.5062	NA	PeJP	NA	NA
+PJ120578	SSTTLLLEE 	C42H73N9O18	991.5074	NA	PeJP	NA	NA
+PJ120579	VLLKEEMM 	C43H77N9O13S2	991.5083	NA	PeJP	NA	NA
+PJ120580	SSSLKERW 	C43H69N13O14	991.5087	NA	PeJP	NA	NA
+PJ120581	AAAAAAVERY 	C43H69N13O14	991.5088	NA	PeJP	NA	NA
+PJ120582	LQKMMRW 	C44H73N13O9S2	991.5096	NA	PeJP	NA	NA
+PJ120583	GDFRRRW 	C44H65N17O10	991.5101	NA	PeJP	NA	NA
+PJ120584	ATKKEEMR 	C40H73N13O14S	991.5121	NA	PeJP	NA	NA
+PJ120585	GTTTLKWW 	C48H69N11O12	991.5127	NA	PeJP	NA	NA
+PJ120586	ASTTLKWW 	C48H69N11O12	991.5128	NA	PeJP	NA	NA
+PJ120587	APKKMMMR 	C41H77N13O9S3	991.513	NA	PeJP	NA	NA
+PJ120588	STMRRRW 	C41H69N17O10S	991.5134	NA	PeJP	NA	NA
+PJ120589	GGPMRRRY 	C41H69N17O10S	991.5135	NA	PeJP	NA	NA
+PJ120590	AAFRRWW 	C49H65N15O8	991.5141	NA	PeJP	NA	NA
+PJ120591	SSTTERRR 	C37H69N17O15	991.5159	NA	PeJP	NA	NA
+PJ120592	GGASSSSKRR 	C37H69N17O15	991.516	NA	PeJP	NA	NA
+PJ120593	GTLKKEMW 	C45H73N11O12S	991.5161	NA	PeJP	NA	NA
+PJ120594	GGGGGALLLMF 	C45H73N11O12S	991.5162	NA	PeJP	NA	NA
+PJ120595	VLLEFWW 	C53H69N9O10	991.5168	NA	PeJP	NA	NA
+PJ120596	GSSHHRRR 	C38H65N21O11	991.5173	NA	PeJP	NA	NA
+PJ120597	PCKFRRW 	C46H69N15O8S	991.5175	NA	PeJP	NA	NA
+PJ120598	TTKKKEEE 	C41H73N11O17	991.5186	NA	PeJP	NA	NA
+PJ120599	SLLLEMMR 	C42H77N11O12S2	991.5195	NA	PeJP	NA	NA
+PJ120600	SSSTLRRW 	C42H69N15O13	991.52	NA	PeJP	NA	NA
+PJ120601	LKKMFYY 	C50H73N9O10S	991.5201	NA	PeJP	NA	NA
+PJ120602	GPLLLMYW 	C50H73N9O10S	991.5202	NA	PeJP	NA	NA
+PJ120603	CLKMRRW 	C43H73N15O8S2	991.5208	NA	PeJP	NA	NA
+PJ120604	GVLHHHHR 	C43H65N19O9	991.5213	NA	PeJP	NA	NA
+PJ120605	VVLLQEEY 	C46H73N9O15	991.5226	NA	PeJP	NA	NA
+PJ120606	PTLLKEEY 	C46H73N9O15	991.5227	NA	PeJP	NA	NA
+PJ120607	ATTKEMRR 	C39H73N15O13S	991.5233	NA	PeJP	NA	NA
+PJ120608	GGGGTTKKMR 	C39H73N15O13S	991.5234	NA	PeJP	NA	NA
+PJ120609	SVLLLMMW 	C47H77N9O10S2	991.5235	NA	PeJP	NA	NA
+PJ120610	PDKKRYW 	C47H69N13O11	991.524	NA	PeJP	NA	NA
+PJ120611	APPCHRRR 	C40H69N19O9S	991.5247	NA	PeJP	NA	NA
+PJ120612	SSSLLLLEM 	C43H77N9O15S	991.526	NA	PeJP	NA	NA
+PJ120613	LLLLQMMM 	C44H81N9O10S3	991.5269	NA	PeJP	NA	NA
+PJ120614	GTTLKMRW 	C44H73N13O11S	991.5274	NA	PeJP	NA	NA
+PJ120615	PTKKFWW 	C52H69N11O9	991.528	NA	PeJP	NA	NA
+PJ120616	SPTTTTTKR 	C40H73N13O16	991.5298	NA	PeJP	NA	NA
+PJ120617	TTTKKEER 	C40H73N13O16	991.5299	NA	PeJP	NA	NA
+PJ120618	GLKKEMMR 	C41H77N13O11S2	991.5307	NA	PeJP	NA	NA
+PJ120619	GGGGVKKKMM 	C41H77N13O11S2	991.5308	NA	PeJP	NA	NA
+7860	peptide isolated from marine rotifier (Brachionus rotundiformis)	LLGPGLTNHA	991.5309	ACE inhibitor	Inhouse_peptide	NA	peptide
+PJ120620	VNERRRY 	C41H69N17O12	991.5312	NA	PeJP	NA	NA
+PJ120621	TLKKMWW 	C49H73N11O9S	991.5314	NA	PeJP	NA	NA
+PJ120622	LHHHHRR 	C42H65N21O8	991.5325	NA	PeJP	NA	NA
+PJ120623	STTLKKEW 	C45H73N11O14	991.5339	NA	PeJP	NA	NA
+PJ120624	SSSLMRRR 	C38H73N17O12S	991.5346	NA	PeJP	NA	NA
+PJ120625	GVLKKMMW 	C46H77N11O9S2	991.5348	NA	PeJP	NA	NA
+PJ120626	SPKRRYW 	C46H69N15O10	991.5352	NA	PeJP	NA	NA
+PJ120627	CKHHRRR 	C39H69N21O8S	991.5359	NA	PeJP	NA	NA
+PJ120628	SSPTTLKKM 	C42H77N11O14S	991.5372	NA	PeJP	NA	NA
+PJ120629	SLKKKEEM 	C42H77N11O14S	991.5373	NA	PeJP	NA	NA
+PJ120630	GVLLLEYW 	C50H73N9O12	991.5379	NA	PeJP	NA	NA
+PJ120631	VVLLMMMR 	C43H81N11O9S3	991.5381	NA	PeJP	NA	NA
+PJ120632	GSCKKKRW 	C43H73N15O10S	991.5386	NA	PeJP	NA	NA
+PJ120633	GLKFRWW 	C51H69N13O8	991.5393	NA	PeJP	NA	NA
+PJ120634	TTTTKERR 	C39H73N15O15	991.5411	NA	PeJP	NA	NA
+PJ120635	PVLLKEMY 	C47H77N9O12S	991.5413	NA	PeJP	NA	NA
+PJ120636	GTLKMMRR 	C40H77N15O10S2	991.542	NA	PeJP	NA	NA
+PJ120637	GERRRRY 	C40H69N19O11	991.5424	NA	PeJP	NA	NA
+PJ120638	AAPEHRRR 	C40H69N19O11	991.5425	NA	PeJP	NA	NA
+PJ120639	PKKMFRW 	C48H73N13O8S	991.5426	NA	PeJP	NA	NA
+PJ120640	TTTTTLLLE 	C43H77N9O17	991.5438	NA	PeJP	NA	NA
+PJ120641	ASTLLLLMM 	C44H81N9O12S2	991.5446	NA	PeJP	NA	NA
+PJ120642	GTTLLLLMM 	C44H81N9O12S2	991.5447	NA	PeJP	NA	NA
+PJ120643	STTTLKRW 	C44H73N13O13	991.5451	NA	PeJP	NA	NA
+PJ120644	GGGGGGPPPVLK 	C44H73N13O13	991.5452	NA	PeJP	NA	NA
+PJ120645	LKKMMRW 	C45H77N13O8S2	991.546	NA	PeJP	NA	NA
+PJ120646	GVRRRYW 	C45H69N17O9	991.5465	NA	PeJP	NA	NA
+MJ099204	Mulundocandin; 2''-Deoxy 	C48H77N7O15	991.547764	NA	MeJP	NA	NA
+PJ120647	STLKKEMR 	C41H77N13O13S	991.5485	NA	PeJP	NA	NA
+PJ120648	LLLERYW 	C49H73N11O11	991.5491	NA	PeJP	NA	NA
+PJ120649	GGGVLLKYW 	C49H73N11O11	991.5492	NA	PeJP	NA	NA
+PJ120650	VQMFRRR 	C42H73N17O9S	991.5498	NA	PeJP	NA	NA
+PJ120651	TTTTTRRR 	C38H73N17O14	991.5523	NA	PeJP	NA	NA
+PJ120652	SSLLKKMW 	C46H77N11O11S	991.5525	NA	PeJP	NA	NA
+PJ120653	VLLLYWW 	C54H73N9O9	991.5532	NA	PeJP	NA	NA
+PJ120654	PDHRRRR 	C39H69N21O10	991.5537	NA	PeJP	NA	NA
+PJ120655	SSSTLLKKE 	C42H77N11O16	991.555	NA	PeJP	NA	NA
+PJ120656	VVKKKEMM 	C43H81N11O11S2	991.5559	NA	PeJP	NA	NA
+PJ120657	GSLLQRRY 	C43H73N15O12	991.5563	NA	PeJP	NA	NA
+PJ120658	LQKERRY 	C43H73N15O12	991.5564	NA	PeJP	NA	NA
+PJ120659	GLLLLMFW 	C51H77N9O9S	991.5565	NA	PeJP	NA	NA
+PJ120660	RRRRYW 	C44H69N19O8	991.5577	NA	PeJP	NA	NA
+PJ120661	VVLLKEEY 	C47H77N9O14	991.559	NA	PeJP	NA	NA
+PJ120662	PPPVVLLEE 	C47H77N9O14	991.5591	NA	PeJP	NA	NA
+PJ120663	STTLKMRR 	C40H77N15O12S	991.5597	NA	PeJP	NA	NA
+PJ120664	PLLLKMMF 	C48H81N9O9S2	991.5599	NA	PeJP	NA	NA
+PJ120665	VLQKRYW 	C48H73N13O10	991.5604	NA	PeJP	NA	NA
+PJ120666	AMFRRRR 	C41H73N19O8S	991.5611	NA	PeJP	NA	NA
+PJ120667	STTTLLLLM 	C44H81N9O14S	991.5624	NA	PeJP	NA	NA
+PJ120668	LLLLKMMM 	C45H85N9O9S3	991.5633	NA	PeJP	NA	NA
+PJ120669	GSKKKKMW 	C45H77N13O10S	991.5638	NA	PeJP	NA	NA
+PJ120670	VVKKFWW 	C53H73N11O8	991.5644	NA	PeJP	NA	NA
+PJ120671	SSSTTLLKR 	C41H77N13O15	991.5662	NA	PeJP	NA	NA
+PJ120672	GSSTKKKKE 	C41H77N13O15	991.5663	NA	PeJP	NA	NA
+PJ120673	SVLKKMMR 	C42H81N13O10S2	991.5671	NA	PeJP	NA	NA
+PJ120674	VDKRRRY 	C42H73N17O11	991.5676	NA	PeJP	NA	NA
+PJ120675	SVLLLERY 	C46H77N11O13	991.5703	NA	PeJP	NA	NA
+PJ120676	SSCKKKRR 	C39H77N17O11S	991.571	NA	PeJP	NA	NA
+PJ120677	ALKRRYW 	C47H73N15O9	991.5716	NA	PeJP	NA	NA
+PJ120678	GTTTLLKKM 	C43H81N11O13S	991.5736	NA	PeJP	NA	NA
+PJ120679	ATLLLLYW 	C51H77N9O11	991.5743	NA	PeJP	NA	NA
+PJ120680	AALKMFRR 	C44H77N15O9S	991.575	NA	PeJP	NA	NA
+PJ120681	GSSTTKKKR 	C40H77N15O14	991.5775	NA	PeJP	NA	NA
+PJ120682	VLLLLQMY 	C48H81N9O11S	991.5777	NA	PeJP	NA	NA
+PJ120683	ACKKKKMR 	C41H81N15O9S2	991.5784	NA	PeJP	NA	NA
+PJ120684	SVRRRRY 	C41H73N19O10	991.5788	NA	PeJP	NA	NA
+PJ120685	SSTKKKKW 	C45H77N13O12	991.5815	NA	PeJP	NA	NA
+PJ120686	PLKHRRW 	C46H73N17O8	991.5828	NA	PeJP	NA	NA
+PJ120687	SDKKKKKM 	C42H81N13O12S	991.5849	NA	PeJP	NA	NA
+PJ120688	AALLKKYW 	C50H77N11O10	991.5855	NA	PeJP	NA	NA
+PJ120689	VKMFRRR 	C43H77N17O8S	991.5862	NA	PeJP	NA	NA
+PJ120690	ALLLLMRY 	C47H81N11O10S	991.5889	NA	PeJP	NA	NA
+PJ120691	STTTTLLKK 	C43H81N11O15	991.5914	NA	PeJP	NA	NA
+PJ120692	TLLKKKMM 	C44H85N11O10S2	991.5923	NA	PeJP	NA	NA
+PJ120693	LKKERRY 	C44H77N15O11	991.5927	NA	PeJP	NA	NA
+PJ120694	GGGVKKKRY 	C44H77N15O11	991.5928	NA	PeJP	NA	NA
+PJ120695	TLLLLKEY 	C48H81N9O13	991.5954	NA	PeJP	NA	NA
+PJ120696	SSKKKKMR 	C41H81N15O11S	991.5961	NA	PeJP	NA	NA
+PJ120697	VLKKRYW 	C49H77N13O9	991.5968	NA	PeJP	NA	NA
+PJ120698	GLLKKMFR 	C46H81N13O9S	991.6001	NA	PeJP	NA	NA
+PJ120699	SSSSLKKKK 	C42H81N13O14	991.6026	NA	PeJP	NA	NA
+PJ120700	AKKKKKMM 	C43H85N13O9S2	991.6035	NA	PeJP	NA	NA
+PJ120701	TLKRRRY 	C43H77N17O10	991.604	NA	PeJP	NA	NA
+PJ120702	TTLLLLRY 	C47H81N11O12	991.6067	NA	PeJP	NA	NA
+PJ120703	PVLLLKFY 	C52H81N9O10	991.6107	NA	PeJP	NA	NA
+PJ120704	VLLLLKMY 	C49H85N9O10S	991.6141	NA	PeJP	NA	NA
+PJ120705	AALLHRRR 	C42H77N19O9	991.6152	NA	PeJP	NA	NA
+PJ120706	ATLLKKRY 	C46H81N13O11	991.6179	NA	PeJP	NA	NA
+PJ120707	TTKKKKKM 	C43H85N13O11S	991.6213	NA	PeJP	NA	NA
+PJ120708	VVLLLLHW 	C51H81N11O9	991.6219	NA	PeJP	NA	NA
+PJ120709	VVLKKKMF 	C48H85N11O9S	991.6253	NA	PeJP	NA	NA
+PJ120710	VLHRRRR 	C41H77N21O8	991.6265	NA	PeJP	NA	NA
+PJ120711	AAKKKKRY 	C45H81N15O10	991.6291	NA	PeJP	NA	NA
+PJ120712	PPVVLLLLE 	C49H85N9O12	991.6318	NA	PeJP	NA	NA
+PJ120713	KKKKKFW 	C50H81N13O8	991.6331	NA	PeJP	NA	NA
+PJ120714	PPVVLRRR 	C44H81N17O9	991.6404	NA	PeJP	NA	NA
+PJ120715	SLLLKKKY 	C48H85N11O11	991.643	NA	PeJP	NA	NA
+PJ120716	GTILLLLLH 	C48H85N11O11	991.6431	NA	PeJP	NA	NA
+PJ120717	VLLLLKFF 	C53H85N9O9	991.6471	NA	PeJP	NA	NA
+PJ120718	GLKKKKKY 	C47H85N13O10	991.6543	NA	PeJP	NA	NA
+PJ120719	PPLLLKRR 	C46H85N15O9	991.6655	NA	PeJP	NA	NA
+PJ120720	PPTLLLLLL 	C50H89N9O11	991.6682	NA	PeJP	NA	NA
+PJ120721	APPLLLLKK 	C49H89N11O10	991.6794	NA	PeJP	NA	NA
+PJ120722	LLLLKKKH 	C48H89N13O9	991.6907	NA	PeJP	NA	NA
+PJ120723	PVVLLLLLL 	C51H93N9O10	991.7046	NA	PeJP	NA	NA
+MJ099205	Phyllanthusiin D 	C44H32O27	992.113095	NA	MeJP	NA	NA
+PJ120724	CCCCCNDDD 	C31H48N10O17S5	992.1803	NA	PeJP	NA	NA
+PJ120725	GSPCCCCCCD 	C32H52N10O14S6	992.1989	NA	PeJP	NA	NA
+PJ120726	CCCCCCNNQ 	C31H52N12O13S6	992.2101	NA	PeJP	NA	NA
+PJ120727	GGCCCCCCNQ 	C31H52N12O13S6	992.2102	NA	PeJP	NA	NA
+PJ120728	SCCCCNDDM 	C32H52N10O16S5	992.2167	NA	PeJP	NA	NA
+PJ120729	PCCCCCCQM 	C33H56N10O11S7	992.2175	NA	PeJP	NA	NA
+PJ120730	GAPCCCCCCM 	C33H56N10O11S7	992.2176	NA	PeJP	NA	NA
+PJ120731	GSSCCCCCNN 	C31H52N12O15S5	992.2279	NA	PeJP	NA	NA
+PJ120732	PCCCCCCCR 	C32H56N12O10S7	992.2288	NA	PeJP	NA	NA
+PJ120733	GSCCCCCEW 	C36H52N10O13S5	992.2319	NA	PeJP	NA	NA
+PJ120734	GSSSCCCCDE 	C32H52N10O18S4	992.2344	NA	PeJP	NA	NA
+PJ120735	GCCCCNEMM 	C33H56N10O13S6	992.2353	NA	PeJP	NA	NA
+PJ120736	GCCCCCDMR 	C32H56N12O12S6	992.2465	NA	PeJP	NA	NA
+PJ120737	GGGGCCCCCCK 	C32H56N12O12S6	992.2466	NA	PeJP	NA	NA
+PJ120738	SCCCCCWW 	C40H52N10O10S5	992.2472	NA	PeJP	NA	NA
+PJ120739	SSSCCCCDW 	C36H52N10O15S4	992.2497	NA	PeJP	NA	NA
+PJ120740	CCCCNMMW 	C37H56N10O10S6	992.2506	NA	PeJP	NA	NA
+PJ120741	SSSSSCCCDD 	C32H52N10O20S3	992.2522	NA	PeJP	NA	NA
+PJ120742	SSCCCNDMM 	C33H56N10O15S5	992.2531	NA	PeJP	NA	NA
+PJ120743	PCCCCCCKM 	C34H60N10O10S7	992.2539	NA	PeJP	NA	NA
+PJ120744	GCCCCCQHH 	C34H52N14O11S5	992.2544	NA	PeJP	NA	NA
+PJ120745	CCDDDEMY 	C37H52N8O18S3	992.2562	NA	PeJP	NA	NA
+PJ120746	GCCNDDDDH 	C34H48N12O19S2	992.2601	NA	PeJP	NA	NA
+PJ120747	CCDEMMMM 	C35H60N8O13S6	992.2605	NA	PeJP	NA	NA
+PJ120748	GCCCCNNNY 	C35H52N12O14S4	992.2609	NA	PeJP	NA	NA
+PJ120749	SSCCCCCER 	C32H56N12O14S5	992.2643	NA	PeJP	NA	NA
+PJ120750	CCCCNDFW 	C40H52N10O12S4	992.2649	NA	PeJP	NA	NA
+PJ120751	GSCCCNDEY 	C36H52N10O17S3	992.2674	NA	PeJP	NA	NA
+PJ120752	GGGSCCCDEY 	C36H52N10O17S3	992.2675	NA	PeJP	NA	NA
+PJ120753	GSTCCCCMW 	C37H56N10O12S5	992.2683	NA	PeJP	NA	NA
+PJ120754	GSSSSCCCEM 	C33H56N10O17S4	992.2708	NA	PeJP	NA	NA
+PJ120755	GSCCCQMMM 	C34H60N10O12S6	992.2717	NA	PeJP	NA	NA
+PJ120756	SSCCCCNHH 	C34H52N14O13S4	992.2721	NA	PeJP	NA	NA
+PJ120757	GGSSCCCCHH 	C34H52N14O13S4	992.2722	NA	PeJP	NA	NA
+PJ120758	CCDDEMMF 	C38H56N8O15S4	992.2748	NA	PeJP	NA	NA
+PJ120759	SPCCCNDDH 	C35H52N12O16S3	992.2787	NA	PeJP	NA	NA
+PJ120760	PPCCCCCQH 	C36H56N12O11S5	992.2795	NA	PeJP	NA	NA
+PJ120761	CCCEMMHH 	C36H56N12O11S5	992.2796	NA	PeJP	NA	NA
+PJ120762	SCCCNDYW 	C40H52N10O14S3	992.2827	NA	PeJP	NA	NA
+PJ120763	GSCCCCMMR 	C33H60N12O11S6	992.2829	NA	PeJP	NA	NA
+PJ120764	CCCCMHFF 	C41H56N10O9S5	992.2836	NA	PeJP	NA	NA
+PJ120765	SSSCCNDDY 	C36H52N10O19S2	992.2852	NA	PeJP	NA	NA
+PJ120766	SSSSCCCMW 	C37H56N10O14S4	992.2861	NA	PeJP	NA	NA
+PJ120767	SSSSSSCCDM 	C33H56N10O19S3	992.2886	NA	PeJP	NA	NA
+PJ120768	PCCDDDYY 	C41H52N8O17S2	992.2892	NA	PeJP	NA	NA
+PJ120769	SSSCCNMMM 	C34H60N10O14S5	992.2894	NA	PeJP	NA	NA
+PJ120770	GCCCNNNEH 	C34H52N14O15S3	992.2899	NA	PeJP	NA	NA
+PJ120771	GCCCCCKHH 	C35H56N14O10S5	992.2908	NA	PeJP	NA	NA
+PJ120772	SCDDEMMY 	C38H56N8O17S3	992.2926	NA	PeJP	NA	NA
+PJ120773	PCCDMMMY 	C39H60N8O12S5	992.2935	NA	PeJP	NA	NA
+PJ120774	CCCDEHHF 	C39H52N12O13S3	992.2939	NA	PeJP	NA	NA
+PJ120775	GNNNDDDDD 	C34H48N12O23	992.2956	NA	PeJP	NA	NA
+PJ120776	GSCNDDDMH 	C35H52N12O18S2	992.2964	NA	PeJP	NA	NA
+PJ120777	GGGSCDDDMH 	C35H52N12O18S2	992.2965	NA	PeJP	NA	NA
+PJ120778	SCEMMMMM 	C36H64N8O12S6	992.2968	NA	PeJP	NA	NA
+PJ120779	CCCCNERY 	C36H56N12O13S4	992.2973	NA	PeJP	NA	NA
+PJ120780	DDDDDDHF 	C39H48N10O21	992.2996	NA	PeJP	NA	NA
+PJ120781	CCNNDDFY 	C40H52N10O16S2	992.3005	NA	PeJP	NA	NA
+PJ120782	SSTCCCCMR 	C33H60N12O13S5	992.3007	NA	PeJP	NA	NA
+PJ120783	GCCCQMYW 	C41H56N10O11S4	992.3013	NA	PeJP	NA	NA
+PJ120784	GPNDDDDDM 	C36H52N10O21S	992.303	NA	PeJP	NA	NA
+PJ120785	GSSCCNEMY 	C37H56N10O16S3	992.3038	NA	PeJP	NA	NA
+PJ120786	CDDDDHHH 	C37H48N14O17S	992.3043	NA	PeJP	NA	NA
+PJ120787	APCCCCCKY 	C38H60N10O11S5	992.3047	NA	PeJP	NA	NA
+PJ120788	CCCNNNHW 	C38H52N14O12S3	992.3052	NA	PeJP	NA	NA
+PJ120789	GDDDDMYY 	C41H52N8O19S	992.307	NA	PeJP	NA	NA
+PJ120790	GSSSSTCCMM 	C34H60N10O16S4	992.3072	NA	PeJP	NA	NA
+PJ120791	SSCCNNNDH 	C34H52N14O17S2	992.3077	NA	PeJP	NA	NA
+PJ120792	PCCDDMFY 	C42H56N8O14S3	992.3079	NA	PeJP	NA	NA
+PJ120793	GSCCCKMMM 	C35H64N10O11S6	992.3081	NA	PeJP	NA	NA
+PJ120794	GPCCCCDHR 	C35H56N14O12S4	992.3086	NA	PeJP	NA	NA
+PJ120795	GDDMMMMY 	C39H60N8O14S4	992.3112	NA	PeJP	NA	NA
+PJ120796	SCCNDEHW 	C39H52N12O15S2	992.3117	NA	PeJP	NA	NA
+PJ120797	PCCMMMMF 	C40H64N8O9S6	992.3121	NA	PeJP	NA	NA
+PJ120798	GCCCCRYW 	C40H56N12O10S4	992.3126	NA	PeJP	NA	NA
+PJ120799	SSSCNDDEH 	C35H52N12O20S	992.3142	NA	PeJP	NA	NA
+PJ120800	GSSCCCDRY 	C36H56N12O15S3	992.3151	NA	PeJP	NA	NA
+PJ120801	GMMMMMMM 	C37H68N8O9S7	992.3155	NA	PeJP	NA	NA
+PJ120802	CCCCQMFR 	C37H60N12O10S5	992.3159	NA	PeJP	NA	NA
+PJ120803	PCNDDDEW 	C40H52N10O18S	992.3182	NA	PeJP	NA	NA
+PJ120804	SSCCNMYW 	C41H56N10O13S3	992.3191	NA	PeJP	NA	NA
+PJ120805	NNDDEEEE 	C36H52N10O23	992.3207	NA	PeJP	NA	NA
+PJ120806	SSSSCNDMY 	C37H56N10O18S2	992.3216	NA	PeJP	NA	NA
+PJ120807	CDDEYYW 	C45H52N8O16S	992.3222	NA	PeJP	NA	NA
+PJ120808	SCNNMMMY 	C38H60N10O13S4	992.3224	NA	PeJP	NA	NA
+PJ120809	GGSCNMMMY 	C38H60N10O13S4	992.3225	NA	PeJP	NA	NA
+PJ120810	SSDDDEYY 	C41H52N8O21	992.3247	NA	PeJP	NA	NA
+PJ120811	SSSSSSSCMM 	C34H60N10O18S3	992.3249	NA	PeJP	NA	NA
+PJ120812	GCNNNNNDE 	C34H52N14O19S	992.3254	NA	PeJP	NA	NA
+PJ120813	GGGGGGGCNNDE 	C34H52N14O19S	992.3255	NA	PeJP	NA	NA
+PJ120814	SPCDDMYY 	C42H56N8O16S2	992.3256	NA	PeJP	NA	NA
+PJ120815	SSTCCCKMM 	C35H64N10O13S5	992.3258	NA	PeJP	NA	NA
+PJ120816	CCNDDMHR 	C35H56N14O14S3	992.3263	NA	PeJP	NA	NA
+PJ120817	CEMMMYW 	C43H60N8O11S4	992.3265	NA	PeJP	NA	NA
+PJ120818	GSCCDHWW 	C43H52N12O12S2	992.327	NA	PeJP	NA	NA
+PJ120819	CCCCCFRR 	C36H60N14O9S5	992.3272	NA	PeJP	NA	NA
+PJ120820	PDDEEEEM 	C38H56N8O21S	992.3281	NA	PeJP	NA	NA
+PJ120821	SSDEMMMY 	C39H60N8O16S3	992.329	NA	PeJP	NA	NA
+PJ120822	GSSSCDDHW 	C39H52N12O17S	992.3294	NA	PeJP	NA	NA
+PJ120823	CNNDDEHF 	C39H52N12O17S	992.3295	NA	PeJP	NA	NA
+PJ120824	SPCMMMMY 	C40H64N8O11S5	992.3298	NA	PeJP	NA	NA
+PJ120825	GDMMMMMF 	C40H64N8O11S5	992.3299	NA	PeJP	NA	NA
+PJ120826	GCNDMMHW 	C40H56N12O12S3	992.3303	NA	PeJP	NA	NA
+PJ120827	GSNNNDDEE 	C35H52N12O22	992.3319	NA	PeJP	NA	NA
+PJ120828	NDDDDDER 	C35H52N12O22	992.332	NA	PeJP	NA	NA
+PJ120829	GSSNDDMMH 	C36H56N12O17S2	992.3328	NA	PeJP	NA	NA
+PJ120830	GGGGGGGPCDEM 	C36H56N12O17S2	992.3329	NA	PeJP	NA	NA
+PJ120831	STMMMMMM 	C37H68N8O11S6	992.3332	NA	PeJP	NA	NA
+PJ120832	GPCDDDWW 	C44H52N10O15S	992.3335	NA	PeJP	NA	NA
+PJ120833	SCCCQMRY 	C37H60N12O12S4	992.3337	NA	PeJP	NA	NA
+PJ120834	CCNNEHHH 	C37H52N16O13S2	992.3342	NA	PeJP	NA	NA
+PJ120835	GCCCQFFW 	C45H56N10O10S3	992.3343	NA	PeJP	NA	NA
+PJ120836	GGACCCFFW 	C45H56N10O10S3	992.3344	NA	PeJP	NA	NA
+PJ120837	GNDDEEEW 	C40H52N10O20	992.336	NA	PeJP	NA	NA
+PJ120838	GSSSTCCYW 	C41H56N10O15S2	992.3368	NA	PeJP	NA	NA
+PJ120839	GSPPCCDEW 	C41H56N10O15S2	992.3369	NA	PeJP	NA	NA
+PJ120840	GSCCCNNHR 	C34H56N16O13S3	992.3375	NA	PeJP	NA	NA
+PJ120841	GGGGGSCCCHR 	C34H56N16O13S3	992.3376	NA	PeJP	NA	NA
+PJ120842	GCCCKMYW 	C42H60N10O10S4	992.3377	NA	PeJP	NA	NA
+PJ120843	GSSSSSSCEY 	C37H56N10O20S	992.3393	NA	PeJP	NA	NA
+PJ120844	GGGSPDDEEM 	C37H56N10O20S	992.3394	NA	PeJP	NA	NA
+PJ120845	GDDDDFFY 	C45H52N8O18	992.34	NA	PeJP	NA	NA
+PJ120846	GSSSCQMMY 	C38H60N10O15S3	992.3402	NA	PeJP	NA	NA
+PJ120847	CNNNNNDW 	C38H52N14O16S	992.3407	NA	PeJP	NA	NA
+PJ120848	CDEMFYW 	C46H56N8O13S2	992.3409	NA	PeJP	NA	NA
+PJ120849	CCCQKMMF 	C39H64N10O10S5	992.3411	NA	PeJP	NA	NA
+PJ120850	GCCCEHRW 	C39H56N14O11S3	992.3416	NA	PeJP	NA	NA
+PJ120851	SSNNNNNDD 	C34H52N14O21	992.3432	NA	PeJP	NA	NA
+PJ120852	GSDEEMYY 	C42H56N8O18S	992.3434	NA	PeJP	NA	NA
+PJ120853	SSSCNNNMH 	C35H56N14O16S2	992.344	NA	PeJP	NA	NA
+PJ120854	GSSCCDEHR 	C35H56N14O16S2	992.3441	NA	PeJP	NA	NA
+PJ120855	GPCEMMYY 	C43H60N8O13S3	992.3442	NA	PeJP	NA	NA
+PJ120856	GCNDDHFW 	C43H52N12O14S	992.3447	NA	PeJP	NA	NA
+PJ120857	SCCCCRRY 	C36H60N14O11S4	992.3449	NA	PeJP	NA	NA
+PJ120858	CCQMHWW 	C44H56N12O9S3	992.3456	NA	PeJP	NA	NA
+PJ120859	AEEEEEEE 	C38H56N8O23	992.3459	NA	PeJP	NA	NA
+PJ120860	GDDDDDRW 	C39H52N12O19	992.3472	NA	PeJP	NA	NA
+PJ120861	GTEMMMMY 	C40H64N8O13S4	992.3476	NA	PeJP	NA	NA
+PJ120862	SSCNEMHW 	C40H56N12O14S2	992.3481	NA	PeJP	NA	NA
+PJ120863	GCMMMHHF 	C41H60N12O9S4	992.349	NA	PeJP	NA	NA
+PJ120864	GCCNHHHW 	C41H52N16O10S2	992.3494	NA	PeJP	NA	NA
+PJ120865	GSPCDDDER 	C36H56N12O19S	992.3506	NA	PeJP	NA	NA
+PJ120866	NDDEEWW 	C44H52N10O17	992.3512	NA	PeJP	NA	NA
+PJ120867	GSSSCCMRY 	C37H60N12O14S3	992.3514	NA	PeJP	NA	NA
+PJ120868	GPPCCDDMR 	C37H60N12O14S3	992.3515	NA	PeJP	NA	NA
+PJ120869	GSSCNDHHH 	C37H52N16O15S	992.3519	NA	PeJP	NA	NA
+PJ120870	SPPCCDWW 	C45H56N10O12S2	992.3521	NA	PeJP	NA	NA
+PJ120871	CCCCKMFR 	C38H64N12O9S5	992.3523	NA	PeJP	NA	NA
+PJ120872	SSSSSSCYW 	C41H56N10O17S	992.3546	NA	PeJP	NA	NA
+PJ120873	STCCCKYW 	C42H60N10O12S3	992.3555	NA	PeJP	NA	NA
+PJ120874	CCCHRWW 	C43H56N14O8S3	992.3568	NA	PeJP	NA	NA
+PJ120875	SSSSSSSSDY 	C37H56N10O22	992.3571	NA	PeJP	NA	NA
+PJ120876	SSSSSNMMY 	C38H60N10O17S2	992.358	NA	PeJP	NA	NA
+PJ120877	GSPNDDDHH 	C38H52N14O18	992.3584	NA	PeJP	NA	NA
+PJ120878	GGGSPDDDHH 	C38H52N14O18	992.3585	NA	PeJP	NA	NA
+PJ120879	SDEMYYW 	C46H56N8O15S	992.3586	NA	PeJP	NA	NA
+PJ120880	SCCQKMMY 	C39H64N10O12S4	992.3588	NA	PeJP	NA	NA
+PJ120881	GGPPPTCCMM 	C39H64N10O12S4	992.3589	NA	PeJP	NA	NA
+PJ120882	SSCCDHRW 	C39H56N14O13S2	992.3593	NA	PeJP	NA	NA
+PJ120883	PCMMYYW 	C47H60N8O10S3	992.3595	NA	PeJP	NA	NA
+PJ120884	SSSEEEYY 	C42H56N8O20	992.3611	NA	PeJP	NA	NA
+PJ120885	SSSSCDDHR 	C35H56N14O18S	992.3618	NA	PeJP	NA	NA
+PJ120886	GGGGGGGGGGGSEM 	C35H56N14O18S	992.3619	NA	PeJP	NA	NA
+PJ120887	QEEMMYY 	C43H60N8O15S2	992.362	NA	PeJP	NA	NA
+PJ120888	GSNNDDWW 	C43H52N12O16	992.3625	NA	PeJP	NA	NA
+PJ120889	SCNDMMHR 	C36H60N14O13S3	992.3627	NA	PeJP	NA	NA
+PJ120890	TMMMMYW 	C44H64N8O10S4	992.3629	NA	PeJP	NA	NA
+PJ120891	GSSCMHWW 	C44H56N12O11S2	992.3633	NA	PeJP	NA	NA
+PJ120892	GGGGAPCCWW 	C44H56N12O11S2	992.3634	NA	PeJP	NA	NA
+PJ120893	PTEEEEEM 	C39H60N8O20S	992.3645	NA	PeJP	NA	NA
+PJ120894	STTEMMMY 	C40H64N8O15S3	992.3654	NA	PeJP	NA	NA
+PJ120895	SPCDDDRW 	C40H56N12O16S	992.3658	NA	PeJP	NA	NA
+PJ120896	GGGGGNEEMW 	C40H56N12O16S	992.3659	NA	PeJP	NA	NA
+PJ120897	GVMMMMMY 	C41H68N8O10S5	992.3662	NA	PeJP	NA	NA
+PJ120898	GDDEWWW 	C48H52N10O14	992.3665	NA	PeJP	NA	NA
+PJ120899	PPCCCERW 	C41H60N12O11S3	992.3667	NA	PeJP	NA	NA
+PJ120900	SNDDEEER 	C36H56N12O21	992.3683	NA	PeJP	NA	NA
+PJ120901	GGTDDDEER 	C36H56N12O21	992.3684	NA	PeJP	NA	NA
+PJ120902	SSSSTCCRY 	C37H60N12O16S2	992.3692	NA	PeJP	NA	NA
+PJ120903	NNNNDEHH 	C37H52N16O17	992.3697	NA	PeJP	NA	NA
+PJ120904	GSSCQYYW 	C45H56N10O14S	992.3698	NA	PeJP	NA	NA
+PJ120905	GSPDDMWW 	C45H56N10O14S	992.3699	NA	PeJP	NA	NA
+PJ120906	SCCCKMRY 	C38H64N12O11S4	992.3701	NA	PeJP	NA	NA
+PJ120907	SCNQMHHH 	C38H56N16O12S2	992.3705	NA	PeJP	NA	NA
+PJ120908	GGSCQMHHH 	C38H56N16O12S2	992.3706	NA	PeJP	NA	NA
+PJ120909	APPCCMWW 	C46H60N10O9S3	992.3707	NA	PeJP	NA	NA
+PJ120910	GSSSSNEYY 	C41H56N10O19	992.3723	NA	PeJP	NA	NA
+PJ120911	GSQEEEEW 	C41H56N10O19	992.3724	NA	PeJP	NA	NA
+PJ120912	GSCNNNNDR 	C34H56N16O17S	992.373	NA	PeJP	NA	NA
+PJ120913	GGGSCNNNDR 	C34H56N16O17S	992.3731	NA	PeJP	NA	NA
+PJ120914	GPNEEMMW 	C42H60N10O14S2	992.3732	NA	PeJP	NA	NA
+PJ120915	GDDEHHHF 	C42H52N14O15	992.3737	NA	PeJP	NA	NA
+PJ120916	PCDFYYW 	C50H56N8O12S	992.3739	NA	PeJP	NA	NA
+PJ120917	PPCMMMHF 	C43H64N10O9S4	992.3741	NA	PeJP	NA	NA
+PJ120918	DMMHHHW 	C43H56N14O10S2	992.3746	NA	PeJP	NA	NA
+PJ120919	GSSSSSSTMY 	C38H60N10O19S	992.3757	NA	PeJP	NA	NA
+PJ120920	GGGGVEEEEM 	C38H60N10O19S	992.3758	NA	PeJP	NA	NA
+PJ120921	GSPDEYYY 	C46H56N8O17	992.3764	NA	PeJP	NA	NA
+PJ120922	GSSSCKMMY 	C39H64N10O14S3	992.3766	NA	PeJP	NA	NA
+PJ120923	GCNNDERW 	C39H56N14O15S	992.3771	NA	PeJP	NA	NA
+PJ120924	AEMMYYW 	C47H60N8O12S2	992.3772	NA	PeJP	NA	NA
+PJ120925	GPCEMFFY 	C47H60N8O12S2	992.3773	NA	PeJP	NA	NA
+PJ120926	MMMMMRY 	C40H68N10O9S5	992.3775	NA	PeJP	NA	NA
+PJ120927	GTCCMHRW 	C40H60N14O10S3	992.3779	NA	PeJP	NA	NA
+PJ120928	GAPCCCHFR 	C40H60N14O10S3	992.378	NA	PeJP	NA	NA
+PJ120929	GCEHHHHH 	C40H52N18O11S	992.3784	NA	PeJP	NA	NA
+PJ120930	SDDDDDRR 	C35H56N14O20	992.3796	NA	PeJP	NA	NA
+PJ120931	GTTEEMYY 	C43H60N8O17S	992.3797	NA	PeJP	NA	NA
+PJ120932	PPDEEEMF 	C43H60N8O17S	992.3798	NA	PeJP	NA	NA
+PJ120933	GSSSCEMHR 	C36H60N14O15S2	992.3804	NA	PeJP	NA	NA
+PJ120934	PCCDDERR 	C36H60N14O15S2	992.3805	NA	PeJP	NA	NA
+PJ120935	GPTMMMYY 	C44H64N8O12S3	992.3806	NA	PeJP	NA	NA
+PJ120936	SSSTCHWW 	C44H56N12O13S	992.3811	NA	PeJP	NA	NA
+PJ120937	GCQMMMHR 	C37H64N14O10S4	992.3813	NA	PeJP	NA	NA
+PJ120938	DDWWWW 	C52H52N10O11	992.3817	NA	PeJP	NA	NA
+PJ120939	SCCNHHHR 	C37H56N18O11S2	992.3818	NA	PeJP	NA	NA
+PJ120940	CCKMHWW 	C45H60N12O8S3	992.382	NA	PeJP	NA	NA
+PJ120941	SLEEEEEE 	C39H60N8O22	992.3823	NA	PeJP	NA	NA
+PJ120942	PVEEEEMM 	C40H64N8O17S2	992.3831	NA	PeJP	NA	NA
+PJ120943	GSDDEERW 	C40H56N12O18	992.3836	NA	PeJP	NA	NA
+PJ120944	SSLMMMMY 	C41H68N8O12S4	992.384	NA	PeJP	NA	NA
+PJ120945	SSSQMMHW 	C41H60N12O13S2	992.3844	NA	PeJP	NA	NA
+PJ120946	GPCDEMRW 	C41H60N12O13S2	992.3845	NA	PeJP	NA	NA
+PJ120947	GNNNDHHW 	C41H52N16O14	992.3849	NA	PeJP	NA	NA
+PJ120948	GGGGGNDHHW 	C41H52N16O14	992.385	NA	PeJP	NA	NA
+PJ120949	SPCEWWW 	C49H56N10O11S	992.3851	NA	PeJP	NA	NA
+PJ120950	PTTTCNNNE 	C37H60N12O18S	992.3869	NA	PeJP	NA	NA
+MJ099206	Albomycin; Albomycin ?2 	C37H60N12O18S	992.386923	NA	MeJP	NA	NA
+PJ120951	GNEEEEMR 	C37H60N12O18S	992.387	NA	PeJP	NA	NA
+PJ120952	SQEEEWW 	C45H56N10O16	992.3876	NA	PeJP	NA	NA
+PJ120953	GSPPCDMMR 	C38H64N12O13S3	992.3878	NA	PeJP	NA	NA
+PJ120954	GGGGGAPQMMM 	C38H64N12O13S3	992.3879	NA	PeJP	NA	NA
+PJ120955	PCNDDHHR 	C38H56N16O14S	992.3883	NA	PeJP	NA	NA
+PJ120956	PNEMMWW 	C46H60N10O11S2	992.3885	NA	PeJP	NA	NA
+PJ120957	DDHHHFW 	C46H52N14O12	992.389	NA	PeJP	NA	NA
+PJ120958	AAQEEEMW 	C42H60N10O16S	992.391	NA	PeJP	NA	NA
+PJ120959	SPDYYYW 	C50H56N8O14	992.3916	NA	PeJP	NA	NA
+PJ120960	CNNNNQMR 	C35H60N16O14S2	992.3917	NA	PeJP	NA	NA
+PJ120961	SPPNMMMW 	C43H64N10O11S3	992.3919	NA	PeJP	NA	NA
+PJ120962	CNNDRWW 	C43H56N14O12S	992.3923	NA	PeJP	NA	NA
+PJ120963	PCMFFYW 	C51H60N8O9S2	992.3925	NA	PeJP	NA	NA
+PJ120964	GCCMMHRR 	C36H64N16O9S4	992.3926	NA	PeJP	NA	NA
+PJ120965	SSSSSSSTTY 	C38H60N10O21	992.3935	NA	PeJP	NA	NA
+PJ120966	CHHHHHW 	C44H52N18O8S	992.3937	NA	PeJP	NA	NA
+PJ120967	SSSSTCKMY 	C39H64N10O16S2	992.3943	NA	PeJP	NA	NA
+PJ120968	PNDKEEMM 	C39H64N10O16S2	992.3944	NA	PeJP	NA	NA
+PJ120969	SSNNDDRW 	C39H56N14O17	992.3948	NA	PeJP	NA	NA
+PJ120970	GGGGGGGGGSSTW 	C39H56N14O17	992.3949	NA	PeJP	NA	NA
+PJ120971	TTEMYYW 	C47H60N8O14S	992.395	NA	PeJP	NA	NA
+PJ120972	SCCKKMMY 	C40H68N10O11S4	992.3952	NA	PeJP	NA	NA
+PJ120973	SSSCMHRW 	C40H60N14O12S2	992.3957	NA	PeJP	NA	NA
+PJ120974	CLMMFYW 	C48H64N8O9S3	992.3959	NA	PeJP	NA	NA
+PJ120975	SSDHHHHH 	C40H52N18O13	992.3962	NA	PeJP	NA	NA
+PJ120976	GNNMWWW 	C48H56N12O10S	992.3963	NA	PeJP	NA	NA
+PJ120977	GGGNMWWW 	C48H56N12O10S	992.3964	NA	PeJP	NA	NA
+PJ120978	STTTEEYY 	C43H60N8O19	992.3975	NA	PeJP	NA	NA
+PJ120979	GDDDEMRR 	C36H60N14O17S	992.3982	NA	PeJP	NA	NA
+PJ120980	KEEMMYY 	C44H64N8O14S2	992.3984	NA	PeJP	NA	NA
+PJ120981	GSSNQEWW 	C44H56N12O15	992.3988	NA	PeJP	NA	NA
+PJ120982	SDDERWW 	C44H56N12O15	992.3989	NA	PeJP	NA	NA
+PJ120983	SSNMMMHR 	C37H64N14O12S3	992.3991	NA	PeJP	NA	NA
+PJ120984	GVMMMMFF 	C45H68N8O9S4	992.3993	NA	PeJP	NA	NA
+PJ120985	PCDMRWW 	C45H60N12O10S2	992.3997	NA	PeJP	NA	NA
+PJ120986	VVEEEEEM 	C40H64N8O19S	992.4009	NA	PeJP	NA	NA
+PJ120987	NEEEMRW 	C41H60N12O15S	992.4022	NA	PeJP	NA	NA
+PJ120988	GGGGGGGAPEMF 	C41H60N12O15S	992.4023	NA	PeJP	NA	NA
+PJ120989	GTEEWWW 	C49H56N10O13	992.4029	NA	PeJP	NA	NA
+PJ120990	PPTCCMRW 	C42H64N12O10S3	992.4031	NA	PeJP	NA	NA
+PJ120991	GNNMHHHF 	C42H56N16O11S	992.4036	NA	PeJP	NA	NA
+PJ120992	GPMMWWW 	C50H60N10O8S2	992.4037	NA	PeJP	NA	NA
+PJ120993	SSQEEEER 	C37H60N12O20	992.4047	NA	PeJP	NA	NA
+PJ120994	SPNEEMMR 	C38H64N12O15S2	992.4056	NA	PeJP	NA	NA
+PJ120995	GNDEEHHR 	C38H56N16O16	992.4061	NA	PeJP	NA	NA
+PJ120996	VNEEMWW 	C46H60N10O13S	992.4062	NA	PeJP	NA	NA
+PJ120997	GGVEEMWW 	C46H60N10O13S	992.4063	NA	PeJP	NA	NA
+PJ120998	PPCQMMMR 	C39H68N12O10S4	992.4065	NA	PeJP	NA	NA
+PJ120999	EFYYWW 	C54H56N8O11	992.4069	NA	PeJP	NA	NA
+PJ121000	PCQHHWW 	C47H56N14O9S	992.4076	NA	PeJP	NA	NA
+PJ121001	ATTQEEEW 	C42H60N10O18	992.4087	NA	PeJP	NA	NA
+PJ121002	GSKEEEEW 	C42H60N10O18	992.4088	NA	PeJP	NA	NA
+PJ121003	SCNNDERR 	C35H60N16O16S	992.4094	NA	PeJP	NA	NA
+PJ121004	GGGGSCDERR 	C35H60N16O16S	992.4095	NA	PeJP	NA	NA
+PJ121005	GPDKEMMW 	C43H64N10O13S2	992.4096	NA	PeJP	NA	NA
+PJ121006	GNNNNQFW 	C43H56N14O14	992.4101	NA	PeJP	NA	NA
+PJ121007	APMYYYW 	C51H60N8O11S	992.4102	NA	PeJP	NA	NA
+PJ121008	PVCYYYW 	C51H60N8O11S	992.4103	NA	PeJP	NA	NA
+PJ121009	MMMMFFR 	C44H68N10O8S4	992.4105	NA	PeJP	NA	NA
+PJ121010	CNMHFRW 	C44H60N14O9S2	992.411	NA	PeJP	NA	NA
+PJ121011	AQKEEEEM 	C39H64N10O18S	992.4121	NA	PeJP	NA	NA
+PJ121012	VQEEYYY 	C47H60N8O16	992.4128	NA	PeJP	NA	NA
+PJ121013	TTLEMMMH 	C40H68N10O13S3	992.413	NA	PeJP	NA	NA
+PJ121014	ASCNQERW 	C40H60N14O14S	992.4134	NA	PeJP	NA	NA
+PJ121015	DDDMRRW 	C40H60N14O14S	992.4135	NA	PeJP	NA	NA
+PJ121016	SLMMYYW 	C48H64N8O11S2	992.4136	NA	PeJP	NA	NA
+PJ121017	SSNQWWW 	C48H56N12O12	992.4141	NA	PeJP	NA	NA
+PJ121018	PCCCKHFR 	C41H64N14O9S3	992.4143	NA	PeJP	NA	NA
+PJ121019	GTMHHHHH 	C41H56N18O10S	992.4148	NA	PeJP	NA	NA
+PJ121020	ASSSNDQER 	C36H60N14O19	992.4159	NA	PeJP	NA	NA
+PJ121021	SSDDEERR 	C36H60N14O19	992.416	NA	PeJP	NA	NA
+PJ121022	SSTLEMYY 	C44H64N8O16S	992.4161	NA	PeJP	NA	NA
+PJ121023	SPCDEMRR 	C37H64N14O14S2	992.4168	NA	PeJP	NA	NA
+PJ121024	GGGGGAAEMMR 	C37H64N14O14S2	992.4169	NA	PeJP	NA	NA
+PJ121025	AALMMMYY 	C45H68N8O11S3	992.417	NA	PeJP	NA	NA
+PJ121026	SNNNDHHR 	C37H56N18O15	992.4173	NA	PeJP	NA	NA
+PJ121027	GEEMRWW 	C45H60N12O12S	992.4175	NA	PeJP	NA	NA
+PJ121028	PPCCMMRR 	C38H68N14O9S4	992.4177	NA	PeJP	NA	NA
+PJ121029	TEWWWW 	C53H56N10O10	992.4181	NA	PeJP	NA	NA
+PJ121030	GSTEEERW 	C41H60N12O17	992.42	NA	PeJP	NA	NA
+PJ121031	ASPDMMRW 	C42H64N12O12S2	992.4208	NA	PeJP	NA	NA
+MJ099207	Aspartocin 	C42H64N12O12S2	992.420806	NA	MeJP	NA	NA
+PJ121032	GSPEMMRW 	C42H64N12O12S2	992.4209	NA	PeJP	NA	NA
+PJ121033	NDEHHRW 	C42H56N16O13	992.4213	NA	PeJP	NA	NA
+PJ121034	GGGGGGGGPHHF 	C42H56N16O13	992.4214	NA	PeJP	NA	NA
+PJ121035	GVEMWWW 	C50H60N10O10S	992.4215	NA	PeJP	NA	NA
+PJ121036	ASSPTDEMR 	C38H64N12O17S	992.4233	NA	PeJP	NA	NA
+PJ121037	GDKEEEMR 	C38H64N12O17S	992.4234	NA	PeJP	NA	NA
+PJ121038	SKEEEWW 	C46H60N10O15	992.424	NA	PeJP	NA	NA
+PJ121039	APQEMMMR 	C39H68N12O12S3	992.4242	NA	PeJP	NA	NA
+PJ121040	GSCNDRRW 	C39H60N16O13S	992.4247	NA	PeJP	NA	NA
+PJ121041	PDKMMWW 	C47H64N10O10S2	992.4249	NA	PeJP	NA	NA
+PJ121042	AQEHHWW 	C47H56N14O11	992.4253	NA	PeJP	NA	NA
+PJ121043	GAAEHHWW 	C47H56N14O11	992.4254	NA	PeJP	NA	NA
+PJ121044	PCFFFFW 	C55H60N8O8S	992.4255	NA	PeJP	NA	NA
+PJ121045	GSSSNDDRR 	C35H60N16O18	992.4272	NA	PeJP	NA	NA
+PJ121046	AAKEEEMW 	C43H64N10O15S	992.4274	NA	PeJP	NA	NA
+PJ121047	GLEYYYW 	C51H60N8O13	992.428	NA	PeJP	NA	NA
+PJ121048	GNNDMMRR 	C36H64N16O13S2	992.4281	NA	PeJP	NA	NA
+PJ121049	GPLQMMMW 	C44H68N10O10S3	992.4282	NA	PeJP	NA	NA
+PJ121050	GGAPLMMMW 	C44H68N10O10S3	992.4283	NA	PeJP	NA	NA
+PJ121051	SNNMRWW 	C44H60N14O11S	992.4287	NA	PeJP	NA	NA
+PJ121052	CLMFFFW 	C52H64N8O8S2	992.4289	NA	PeJP	NA	NA
+PJ121053	GNHFFWW 	C52H56N12O9	992.4294	NA	PeJP	NA	NA
+PJ121054	SDKKEEEE 	C39H64N10O20	992.4299	NA	PeJP	NA	NA
+PJ121055	PTQKEEMM 	C40H68N10O15S2	992.4307	NA	PeJP	NA	NA
+PJ121056	AASPKEEMM 	C40H68N10O15S2	992.4308	NA	PeJP	NA	NA
+PJ121057	SSSNQERW 	C40H60N14O16	992.4312	NA	PeJP	NA	NA
+PJ121058	GGGGGGGGGGGALY 	C40H60N14O16	992.4313	NA	PeJP	NA	NA
+PJ121059	PKEMYYY 	C48H64N8O13S	992.4314	NA	PeJP	NA	NA
+PJ121060	SLLMMMMH 	C41H72N10O10S4	992.4316	NA	PeJP	NA	NA
+MJ099208	Annetocin 	C41H64N14O11S2	992.43204	NA	MeJP	NA	NA
+PJ121061	NQQMMRW 	C41H64N14O11S2	992.4321	NA	PeJP	NA	NA
+PJ121062	STTHHHHH 	C41H56N18O12	992.4326	NA	PeJP	NA	NA
+PJ121063	EMRWWW 	C49H60N12O9S	992.4327	NA	PeJP	NA	NA
+PJ121064	PVVEEEEY 	C44H64N8O18	992.4339	NA	PeJP	NA	NA
+PJ121065	GSEEEMRR 	C37H64N14O16S	992.4346	NA	PeJP	NA	NA
+PJ121066	ATTLMMYY 	C45H68N8O13S2	992.4348	NA	PeJP	NA	NA
+PJ121067	STEERWW 	C45H60N12O14	992.4352	NA	PeJP	NA	NA
+PJ121068	GGGGGAAPTYW 	C45H60N12O14	992.4353	NA	PeJP	NA	NA
+PJ121069	GPDMMMRR 	C38H68N14O11S3	992.4355	NA	PeJP	NA	NA
+PJ121070	GNNQMHHR 	C38H60N18O12S	992.4359	NA	PeJP	NA	NA
+PJ121071	GGGGGGAMHHR 	C38H60N18O12S	992.436	NA	PeJP	NA	NA
+PJ121072	SPMMRWW 	C46H64N12O9S2	992.4361	NA	PeJP	NA	NA
+PJ121073	GDHHRWW 	C46H56N16O10	992.4366	NA	PeJP	NA	NA
+PJ121074	VMWWWW 	C54H60N10O7S	992.4368	NA	PeJP	NA	NA
+PJ121075	TLLEEEEM 	C41H68N8O18S	992.4373	NA	PeJP	NA	NA
+PJ121076	PLLEEMMM 	C42H72N8O13S3	992.4381	NA	PeJP	NA	NA
+PJ121077	DKEEMRW 	C42H64N12O14S	992.4386	NA	PeJP	NA	NA
+PJ121078	SSLEWWW 	C50H60N10O12	992.4392	NA	PeJP	NA	NA
+PJ121079	PVNEYWW 	C50H60N10O12	992.4393	NA	PeJP	NA	NA
+PJ121080	AAPMMMRW 	C43H68N12O9S3	992.4395	NA	PeJP	NA	NA
+PJ121081	GPTCHHRW 	C43H60N16O10S	992.44	NA	PeJP	NA	NA
+PJ121082	AAHHWWW 	C51H56N14O8	992.4406	NA	PeJP	NA	NA
+PJ121083	SSKEEEER 	C38H64N12O19	992.4411	NA	PeJP	NA	NA
+PJ121084	GLQEEMMR 	C39H68N12O14S2	992.442	NA	PeJP	NA	NA
+PJ121085	GNNNQQRY 	C39H60N16O15	992.4424	NA	PeJP	NA	NA
+PJ121086	GGGGGGGQQRY 	C39H60N16O15	992.4425	NA	PeJP	NA	NA
+PJ121087	VDKEMWW 	C47H64N10O12S	992.4426	NA	PeJP	NA	NA
+PJ121088	PPCKMMMR 	C40H72N12O9S4	992.4429	NA	PeJP	NA	NA
+PJ121089	LYYYWW 	C55H60N8O10	992.4433	NA	PeJP	NA	NA
+PJ121090	PCKHHWW 	C48H60N14O8S	992.444	NA	PeJP	NA	NA
+PJ121091	ATTKEEEW 	C43H64N10O17	992.4451	NA	PeJP	NA	NA
+PJ121092	AAAAAVDEEF 	C43H64N10O17	992.4452	NA	PeJP	NA	NA
+PJ121093	SSNNEMRR 	C36H64N16O15S	992.4458	NA	PeJP	NA	NA
+PJ121094	APTKEMMW 	C44H68N10O12S2	992.446	NA	PeJP	NA	NA
+PJ121095	GSSSQRWW 	C44H60N14O13	992.4465	NA	PeJP	NA	NA
+PJ121096	ALMFYYW 	C52H64N8O10S	992.4466	NA	PeJP	NA	NA
+PJ121097	AAPMFFFY 	C52H64N8O10S	992.4467	NA	PeJP	NA	NA
+PJ121098	GCNNHHRR 	C37H60N20O11S	992.4472	NA	PeJP	NA	NA
+PJ121099	AAHHHHHF 	C45H56N18O9	992.4478	NA	PeJP	NA	NA
+PJ121100	AKKEEEEM 	C40H68N10O17S	992.4485	NA	PeJP	NA	NA
+PJ121101	VKEEYYY 	C48H64N8O15	992.4491	NA	PeJP	NA	NA
+PJ121102	PPPVEEYY 	C48H64N8O15	992.4492	NA	PeJP	NA	NA
+PJ121103	PVQKEMMM 	C41H72N10O12S3	992.4494	NA	PeJP	NA	NA
+PJ121104	SEEMRRW 	C41H64N14O13S	992.4498	NA	PeJP	NA	NA
+PJ121105	GGGSDKMRW 	C41H64N14O13S	992.4499	NA	PeJP	NA	NA
+PJ121106	AALMMFFY 	C49H68N8O10S2	992.45	NA	PeJP	NA	NA
+PJ121107	SSNKWWW 	C49H60N12O11	992.4505	NA	PeJP	NA	NA
+PJ121108	SSTEEERR 	C37H64N14O18	992.4523	NA	PeJP	NA	NA
+PJ121109	GGGSSSKEER 	C37H64N14O18	992.4524	NA	PeJP	NA	NA
+PJ121110	TTTTLMYY 	C45H68N8O15S	992.4525	NA	PeJP	NA	NA
+PJ121111	AAEEMMRR 	C38H68N14O13S2	992.4532	NA	PeJP	NA	NA
+PJ121112	GSDEHHRR 	C38H60N18O14	992.4537	NA	PeJP	NA	NA
+PJ121113	SQQKMWW 	C46H64N12O11S	992.4538	NA	PeJP	NA	NA
+PJ121114	SVEMRWW 	C46H64N12O11S	992.4539	NA	PeJP	NA	NA
+PJ121115	GPVYWWW 	C54H60N10O9	992.4545	NA	PeJP	NA	NA
+PJ121116	CCNRRRW 	C39H64N18O9S2	992.4546	NA	PeJP	NA	NA
+PJ121117	VLLEEEMM 	C42H72N8O15S2	992.4559	NA	PeJP	NA	NA
+PJ121118	SSSSPTNKW 	C42H64N12O16	992.4563	NA	PeJP	NA	NA
+PJ121119	SSSLEERW 	C42H64N12O16	992.4564	NA	PeJP	NA	NA
+PJ121120	SSCNDRRR 	C35H64N18O14S	992.4571	NA	PeJP	NA	NA
+PJ121121	LQEMMRW 	C43H68N12O11S2	992.4572	NA	PeJP	NA	NA
+PJ121122	GGGGGLKMMW 	C43H68N12O11S2	992.4573	NA	PeJP	NA	NA
+PJ121123	TQEHHRW 	C43H60N16O12	992.4577	NA	PeJP	NA	NA
+PJ121124	ATLMWWW 	C51H64N10O9S	992.4579	NA	PeJP	NA	NA
+PJ121125	ATKEEEMR 	C39H68N12O16S	992.4597	NA	PeJP	NA	NA
+PJ121126	GGGATDKKEM 	C39H68N12O16S	992.4598	NA	PeJP	NA	NA
+PJ121127	GTTTLEWW 	C47H64N10O14	992.4604	NA	PeJP	NA	NA
+PJ121128	APKEMMMR 	C40H72N12O11S3	992.4606	NA	PeJP	NA	NA
+PJ121129	GSSNMRRW 	C40H64N16O12S	992.4611	NA	PeJP	NA	NA
+PJ121130	VLQMMWW 	C48H68N10O9S2	992.4612	NA	PeJP	NA	NA
+PJ121131	LLNMMWW 	C48H68N10O9S2	992.4613	NA	PeJP	NA	NA
+PJ121132	GNQFRWW 	C48H60N14O10	992.4617	NA	PeJP	NA	NA
+PJ121133	GSSSSQERR 	C36H64N16O17	992.4636	NA	PeJP	NA	NA
+PJ121134	SSLLQEMW 	C44H68N10O14S	992.4637	NA	PeJP	NA	NA
+PJ121135	GTLKEEMW 	C44H68N10O14S	992.4638	NA	PeJP	NA	NA
+PJ121136	SVLYYYW 	C52H64N8O12	992.4644	NA	PeJP	NA	NA
+PJ121137	DEMMRRR 	C37H68N16O12S2	992.4645	NA	PeJP	NA	NA
+PJ121138	GPLKMMMW 	C45H72N10O9S3	992.4646	NA	PeJP	NA	NA
+MJ099209	3-Hydroxy-12-ursen-28-oic acid, 3-O-[4-O-Sulfo-?-D-glucopyranosyl-(1?3)-?-L-arabinopyranoside], 28-O-?-D-glucopyranosyl ester 	C47H76O20S	992.465065	NA	MeJP	NA	NA
+MJ099210	Jujubogenin; 3-O-[?-D-Fucopyranosyl-(1?2)-[4-sulfo-?-D-glucopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C47H76O20S	992.465065	NA	MeJP	NA	NA
+PJ121139	SCQKRWW 	C45H64N14O10S	992.4651	NA	PeJP	NA	NA
+PJ121140	PRYWWW 	C53H60N12O8	992.4657	NA	PeJP	NA	NA
+PJ121141	SPTTTTKEE 	C40H68N10O19	992.4662	NA	PeJP	NA	NA
+PJ121142	TTKKEEEE 	C40H68N10O19	992.4663	NA	PeJP	NA	NA
+PJ121143	PTKKEEMM 	C41H72N10O14S2	992.4671	NA	PeJP	NA	NA
+PJ121144	SSSNKERW 	C41H64N14O15	992.4676	NA	PeJP	NA	NA
+PJ121145	LLQMYYY 	C49H68N8O12S	992.4678	NA	PeJP	NA	NA
+PJ121146	PPKKMMMM 	C42H76N10O9S4	992.468	NA	PeJP	NA	NA
+PJ121147	VDMMRRW 	C42H68N14O10S2	992.4685	NA	PeJP	NA	NA
+PJ121148	SDHHRRW 	C42H60N18O11	992.4689	NA	PeJP	NA	NA
+PJ121149	GGSPKHHHH 	C42H60N18O11	992.469	NA	PeJP	NA	NA
+PJ121150	GCKKWWW 	C50H64N12O8S	992.4691	NA	PeJP	NA	NA
+PJ121151	PTLLEEEY 	C45H68N8O17	992.4703	NA	PeJP	NA	NA
+PJ121152	ATTEEMRR 	C38H68N14O15S	992.471	NA	PeJP	NA	NA
+PJ121153	PPLLEMMY 	C46H72N8O12S2	992.4712	NA	PeJP	NA	NA
+PJ121154	GSSDKKWW 	C46H64N12O13	992.4716	NA	PeJP	NA	NA
+PJ121155	GGGGGGGAPLFF 	C46H64N12O13	992.4717	NA	PeJP	NA	NA
+PJ121156	APTMMMRR 	C39H72N14O10S3	992.4718	NA	PeJP	NA	NA
+PJ121157	GAPCCKKMR 	C39H72N14O10S3	992.4719	NA	PeJP	NA	NA
+PJ121158	QEMHHRR 	C39H64N18O11S	992.4723	NA	PeJP	NA	NA
+PJ121159	ALMMRWW 	C47H68N12O8S2	992.4725	NA	PeJP	NA	NA
+PJ121160	ATHHRWW 	C47H60N16O9	992.473	NA	PeJP	NA	NA
+PJ121161	GTTLEMRW 	C43H68N12O13S	992.475	NA	PeJP	NA	NA
+PJ121162	TTTLWWW 	C51H64N10O11	992.4756	NA	PeJP	NA	NA
+PJ121163	GGVLEFWW 	C51H64N10O11	992.4757	NA	PeJP	NA	NA
+PJ121164	VQMHHRW 	C44H64N16O9S	992.4763	NA	PeJP	NA	NA
+PJ121165	TTTKEEER 	C39H68N12O18	992.4775	NA	PeJP	NA	NA
+PJ121166	GLKEEMMR 	C40H72N12O13S2	992.4784	NA	PeJP	NA	NA
+PJ121167	SSSSQRRW 	C40H64N16O14	992.4788	NA	PeJP	NA	NA
+PJ121168	GGGGGGGQKRY 	C40H64N16O14	992.4789	NA	PeJP	NA	NA
+PJ121169	TLKEMWW 	C48H68N10O11S	992.479	NA	PeJP	NA	NA
+PJ121170	ALFFFYW 	C56H64N8O9	992.4797	NA	PeJP	NA	NA
+PJ121171	AAQHHHHR 	C41H60N20O10	992.4802	NA	PeJP	NA	NA
+PJ121172	STTLKEEW 	C44H68N10O16	992.4815	NA	PeJP	NA	NA
+PJ121173	SSNDKMRR 	C37H68N16O14S	992.4822	NA	PeJP	NA	NA
+PJ121174	GVLKEMMW 	C45H72N10O11S2	992.4824	NA	PeJP	NA	NA
+PJ121175	GSSSKRWW 	C45H64N14O12	992.4828	NA	PeJP	NA	NA
+PJ121176	SPERRYW 	C45H64N14O12	992.4829	NA	PeJP	NA	NA
+PJ121177	AALMFFFF 	C53H68N8O9S	992.483	NA	PeJP	NA	NA
+PJ121178	PCCCKKRR 	C38H72N16O9S3	992.4831	NA	PeJP	NA	NA
+PJ121179	CEHHRRR 	C38H64N20O10S	992.4836	NA	PeJP	NA	NA
+PJ121180	SLKKEEEM 	C41H72N10O16S	992.4849	NA	PeJP	NA	NA
+PJ121181	GTTLLYYY 	C49H68N8O14	992.4855	NA	PeJP	NA	NA
+PJ121182	PVKKEMMM 	C42H76N10O11S3	992.4858	NA	PeJP	NA	NA
+PJ121183	GSTQKMRW 	C42H68N14O12S	992.4862	NA	PeJP	NA	NA
+PJ121184	GGGGGAALMFR 	C42H68N14O12S	992.4863	NA	PeJP	NA	NA
+PJ121185	SPVRYWW 	C50H64N12O10	992.4869	NA	PeJP	NA	NA
+PJ121186	AMHHRRW 	C43H64N18O8S	992.4876	NA	PeJP	NA	NA
+PJ121187	TTTTEERR 	C38H68N14O17	992.4887	NA	PeJP	NA	NA
+PJ121188	PVLLEEMY 	C46H72N8O14S	992.4889	NA	PeJP	NA	NA
+PJ121189	GTLEMMRR 	C39H72N14O12S2	992.4896	NA	PeJP	NA	NA
+PJ121190	NNDRRRY 	C39H64N18O13	992.4901	NA	PeJP	NA	NA
+PJ121191	TTLMRWW 	C47H68N12O10S	992.4902	NA	PeJP	NA	NA
+PJ121192	GGTKKMWW 	C47H68N12O10S	992.4903	NA	PeJP	NA	NA
+PJ121193	GVLFWWW 	C55H64N10O8	992.4909	NA	PeJP	NA	NA
+PJ121194	NHHHHRR 	C40H60N22O9	992.4914	NA	PeJP	NA	NA
+PJ121195	STTTLERW 	C43H68N12O15	992.4927	NA	PeJP	NA	NA
+PJ121196	GGSTTKKEW 	C43H68N12O15	992.4928	NA	PeJP	NA	NA
+PJ121197	SSSNMRRR 	C36H68N18O13S	992.4934	NA	PeJP	NA	NA
+PJ121198	LKEMMRW 	C44H72N12O10S2	992.4936	NA	PeJP	NA	NA
+PJ121199	GQQRRYW 	C44H64N16O11	992.4941	NA	PeJP	NA	NA
+PJ121200	PVKMFWW 	C52H68N10O8S	992.4943	NA	PeJP	NA	NA
+PJ121201	STLKEEMR 	C40H72N12O15S	992.4961	NA	PeJP	NA	NA
+PJ121202	SSTTLLWW 	C48H68N10O13	992.4968	NA	PeJP	NA	NA
+PJ121203	SPLKMMMR 	C41H76N12O10S3	992.497	NA	PeJP	NA	NA
+PJ121204	GSTCKRRW 	C41H68N16O11S	992.4975	NA	PeJP	NA	NA
+PJ121205	VLKMMWW 	C49H72N10O8S2	992.4976	NA	PeJP	NA	NA
+PJ121206	GNKFRWW 	C49H64N14O9	992.4981	NA	PeJP	NA	NA
+PJ121207	ASSSTTQRR 	C37H68N16O16	992.4999	NA	PeJP	NA	NA
+PJ121208	GSSSSKERR 	C37H68N16O16	992.5	NA	PeJP	NA	NA
+PJ121209	SSLLKEMW 	C45H72N10O13S	992.5001	NA	PeJP	NA	NA
+PJ121210	GGPVLKEMY 	C45H72N10O13S	992.5002	NA	PeJP	NA	NA
+PJ121211	PLKFYYY 	C53H68N8O11	992.5008	NA	PeJP	NA	NA
+PJ121212	GGGGCCKKKR 	C38H72N16O11S2	992.5009	NA	PeJP	NA	NA
+PJ121213	SCKKRWW 	C46H68N14O9S	992.5015	NA	PeJP	NA	NA
+PJ121214	LFRWWW 	C54H64N12O7	992.5021	NA	PeJP	NA	NA
+PJ121215	SSSTLLKEE 	C41H72N10O18	992.5026	NA	PeJP	NA	NA
+PJ121216	VVKKEEMM 	C42H76N10O13S2	992.5035	NA	PeJP	NA	NA
+PJ121217	SSSDKKRW 	C42H68N14O14	992.504	NA	PeJP	NA	NA
+PJ121218	LLKMYYY 	C50H72N8O11S	992.5042	NA	PeJP	NA	NA
+PJ121219	NKKMMRW 	C43H72N14O9S2	992.5048	NA	PeJP	NA	NA
+PJ121220	TLMMRRW 	C43H72N14O9S2	992.5049	NA	PeJP	NA	NA
+PJ121221	TTHHRRW 	C43H64N18O10	992.5053	NA	PeJP	NA	NA
+PJ121222	VVLLEEEY 	C46H72N8O16	992.5067	NA	PeJP	NA	NA
+PJ121223	STTLEMRR 	C39H72N14O14S	992.5073	NA	PeJP	NA	NA
+PJ121224	TTTLDMRR 	C39H72N14O14S	992.5074	NA	PeJP	NA	NA
+PJ121225	PLLLEMMF 	C47H76N8O11S2	992.5075	NA	PeJP	NA	NA
+PJ121226	GSTTKKWW 	C47H68N12O12	992.508	NA	PeJP	NA	NA
+PJ121227	GVLMMMRR 	C40H76N14O9S3	992.5082	NA	PeJP	NA	NA
+PJ121228	NNMFRRR 	C40H68N18O10S	992.5087	NA	PeJP	NA	NA
+PJ121229	LHHHFFR 	C48H64N16O8	992.5094	NA	PeJP	NA	NA
+PJ121230	LLLLEMMM 	C44H80N8O11S3	992.5109	NA	PeJP	NA	NA
+PJ121231	GSSSSTRRR 	C36H68N18O15	992.5112	NA	PeJP	NA	NA
+PJ121232	SSTLLMRW 	C44H72N12O12S	992.5114	NA	PeJP	NA	NA
+PJ121233	PTLKYWW 	C52H68N10O10	992.512	NA	PeJP	NA	NA
+PJ121234	GSCKMRRR 	C37H72N18O10S2	992.5121	NA	PeJP	NA	NA
+PJ121235	VKMHHRW 	C45H68N16O8S	992.5127	NA	PeJP	NA	NA
+PJ121236	SSSTTLLER 	C40H72N12O17	992.5139	NA	PeJP	NA	NA
+PJ121237	TTLLQMMR 	C41H76N12O12S2	992.5147	NA	PeJP	NA	NA
+PJ121238	SVLKEMMR 	C41H76N12O12S2	992.5148	NA	PeJP	NA	NA
+PJ121239	SSSSKRRW 	C41H68N16O13	992.5152	NA	PeJP	NA	NA
+PJ121240	GGGGGGGPPPKR 	C41H68N16O13	992.5153	NA	PeJP	NA	NA
+PJ121241	GPVLKMYW 	C49H72N10O10S	992.5154	NA	PeJP	NA	NA
+PJ121242	PMMFRRR 	C42H72N16O8S2	992.5161	NA	PeJP	NA	NA
+PJ121243	GPPHHHRR 	C42H64N20O9	992.5166	NA	PeJP	NA	NA
+PJ121244	SSSSTLLLW 	C45H72N10O15	992.5179	NA	PeJP	NA	NA
+PJ121245	SSTQKMRR 	C38H72N16O13S	992.5186	NA	PeJP	NA	NA
+PJ121246	ATLLKMMW 	C46H76N10O10S2	992.5188	NA	PeJP	NA	NA
+PJ121247	ALERRYW 	C46H68N14O11	992.5192	NA	PeJP	NA	NA
+MJ099211	Furostane-3,14,17,22,26-pentol, 22-Me ether, 26-Ac, 3-O-[?-L-rhamnopyranosyl-(1?2)[?-D-glucopyranosyl-(1?4)]-?-D-glucopyranoside] 	C48H80O21	992.519209	NA	MeJP	NA	NA
+PJ121248	GGGGLKRYW 	C46H68N14O11	992.5193	NA	PeJP	NA	NA
+PJ121249	LMMMRRR 	C39H76N16O8S3	992.5195	NA	PeJP	NA	NA
+PJ121250	TMHHRRR 	C39H68N20O9S	992.5199	NA	PeJP	NA	NA
+PJ121251	GTTTLLKEM 	C42H76N10O15S	992.5213	NA	PeJP	NA	NA
+PJ121252	PPVLLEYY 	C50H72N8O13	992.5219	NA	PeJP	NA	NA
+PJ121253	VLLQKMMM 	C43H80N10O10S3	992.5221	NA	PeJP	NA	NA
+PJ121254	AAVVLKMMM 	C43H80N10O10S3	992.5222	NA	PeJP	NA	NA
+PJ121255	GSTKKMRW 	C43H72N14O11S	992.5226	NA	PeJP	NA	NA
+PJ121256	GLLRYWW 	C51H68N12O9	992.5233	NA	PeJP	NA	NA
+PJ121257	GSSTTKKER 	C39H72N14O16	992.5251	NA	PeJP	NA	NA
+PJ121258	VLLLEEMF 	C47H76N8O13S	992.5253	NA	PeJP	NA	NA
+PJ121259	SSLLMMRR 	C40H76N14O11S2	992.526	NA	PeJP	NA	NA
+PJ121260	SQQRRRY 	C40H68N18O12	992.5264	NA	PeJP	NA	NA
+PJ121261	GGTQRRRY 	C40H68N18O12	992.5265	NA	PeJP	NA	NA
+PJ121262	SKKKMWW 	C48H72N12O9S	992.5266	NA	PeJP	NA	NA
+PJ121263	SSTKKKEW 	C44H72N12O14	992.5291	NA	PeJP	NA	NA
+PJ121264	GGGAALKKEY 	C44H72N12O14	992.5292	NA	PeJP	NA	NA
+PJ121265	SSTCKRRR 	C37H72N18O12S	992.5298	NA	PeJP	NA	NA
+PJ121266	AAKKKMMW 	C45H76N12O9S2	992.53	NA	PeJP	NA	NA
+PJ121267	GQKRRYW 	C45H68N16O10	992.5305	NA	PeJP	NA	NA
+PJ121268	SSSSLLLMR 	C41H76N12O14S	992.5325	NA	PeJP	NA	NA
+PJ121269	SSPLLKYW 	C49H72N10O12	992.5331	NA	PeJP	NA	NA
+PJ121270	AALLKEYW 	C49H72N10O12	992.5332	NA	PeJP	NA	NA
+PJ121271	ALLKMMMR 	C42H80N12O9S3	992.5334	NA	PeJP	NA	NA
+PJ121272	QQKMFRR 	C42H72N16O10S	992.5338	NA	PeJP	NA	NA
+PJ121273	VEMFRRR 	C42H72N16O10S	992.5339	NA	PeJP	NA	NA
+PJ121274	PVLHRWW 	C50H68N14O8	992.5345	NA	PeJP	NA	NA
+PJ121275	GSSTTTKRR 	C38H72N16O15	992.5363	NA	PeJP	NA	NA
+PJ121276	TTTLLKMW 	C46H76N10O12S	992.5365	NA	PeJP	NA	NA
+PJ121277	LLKFFYY 	C54H72N8O10	992.5372	NA	PeJP	NA	NA
+PJ121278	GSPQHRRR 	C39H68N20O11	992.5377	NA	PeJP	NA	NA
+PJ121279	VVMFRRW 	C47H72N14O8S	992.5379	NA	PeJP	NA	NA
+PJ121280	STTTTLLKE 	C42H76N10O17	992.539	NA	PeJP	NA	NA
+PJ121281	TLLKKEMM 	C43H80N10O12S2	992.5399	NA	PeJP	NA	NA
+PJ121282	SSTTKKRW 	C43H72N14O13	992.5404	NA	PeJP	NA	NA
+PJ121283	PPLLLMFY 	C51H76N8O10S	992.5406	NA	PeJP	NA	NA
+PJ121284	PNKHRRW 	C44H68N18O9	992.5417	NA	PeJP	NA	NA
+PJ121285	TLLLLEEY 	C47H76N8O15	992.5431	NA	PeJP	NA	NA
+PJ121286	SSKKKEMR 	C40H76N14O13S	992.5437	NA	PeJP	NA	NA
+PJ121287	GGGSTCKKKK 	C40H76N14O13S	992.5438	NA	PeJP	NA	NA
+PJ121288	PLLLLMMY 	C48H80N8O10S2	992.5439	NA	PeJP	NA	NA
+PJ121289	VLKERYW 	C48H72N12O11	992.5444	NA	PeJP	NA	NA
+PJ121290	CQKFRRR 	C41H72N18O9S	992.5451	NA	PeJP	NA	NA
+PJ121291	ATTKKKMW 	C45H76N12O11S	992.5478	NA	PeJP	NA	NA
+PJ121292	VVLKYWW 	C53H72N10O9	992.5484	NA	PeJP	NA	NA
+PJ121293	STTTTTLLR 	C41H76N12O16	992.5502	NA	PeJP	NA	NA
+PJ121294	VTTTTTTLR 	C41H76N12O16	992.5503	NA	PeJP	NA	NA
+PJ121295	TTLLKMMR 	C42H80N12O11S2	992.5511	NA	PeJP	NA	NA
+PJ121296	TLERRRY 	C42H72N16O12	992.5516	NA	PeJP	NA	NA
+PJ121297	GVLLKMFW 	C50H76N10O9S	992.5518	NA	PeJP	NA	NA
+PJ121298	ALLKKEEY 	C46H76N10O14	992.5543	NA	PeJP	NA	NA
+PJ121299	SSTKKMRR 	C39H76N16O12S	992.555	NA	PeJP	NA	NA
+PJ121300	PVLKKMMF 	C47H80N10O9S2	992.5552	NA	PeJP	NA	NA
+MJ099212	Merremoside I; 1?3'' Lactone, 3'''-(2-methylbutanoyl(S-)), 4''''-(2-methylpropanoyl) 	C49H84O20	992.555595	NA	MeJP	NA	NA
+MJ099213	Muricatins; 2'-(2S-Methylbutanoyl), 4''-(2-methylpropanoyl) 	C49H84O20	992.555595	NA	MeJP	NA	NA
+MJ099214	Muricatins; 3'-(S-2-Methylbutanoyl), 4''-(2-methylpropanoyl) 	C49H84O20	992.555595	NA	MeJP	NA	NA
+PJ121301	SLLRRYW 	C47H72N14O10	992.5556	NA	PeJP	NA	NA
+PJ121302	SSTTLLLKM 	C43H80N10O14S	992.5576	NA	PeJP	NA	NA
+PJ121303	SSTTIILKM 	C43H80N10O14S	992.5577	NA	PeJP	NA	NA
+PJ121304	PVLLLEFY 	C51H76N8O12	992.5583	NA	PeJP	NA	NA
+PJ121305	VLLKKMMM 	C44H84N10O9S3	992.5585	NA	PeJP	NA	NA
+PJ121306	AALLMRRY 	C44H76N14O10S	992.559	NA	PeJP	NA	NA
+PJ121307	AKKKFWW 	C52H72N12O8	992.5596	NA	PeJP	NA	NA
+PJ121308	PLKFFRW 	C52H72N12O8	992.5597	NA	PeJP	NA	NA
+PJ121309	SSSSTLKKR 	C40H76N14O15	992.5615	NA	PeJP	NA	NA
+PJ121310	VLLLLEMY 	C48H80N8O12S	992.5617	NA	PeJP	NA	NA
+PJ121311	ATKKKMMR 	C41H80N14O10S2	992.5624	NA	PeJP	NA	NA
+PJ121312	SQKRRRY 	C41H72N18O11	992.5628	NA	PeJP	NA	NA
+PJ121313	GGPPPTRRR 	C41H72N18O11	992.5629	NA	PeJP	NA	NA
+PJ121314	LLKMFRW 	C49H76N12O8S	992.563	NA	PeJP	NA	NA
+PJ121315	TTTTKKKW 	C45H76N12O13	992.5655	NA	PeJP	NA	NA
+PJ121316	GGGGGGPPVLLL 	C45H76N12O13	992.5656	NA	PeJP	NA	NA
+PJ121317	GKKRRYW 	C46H72N16O9	992.5669	NA	PeJP	NA	NA
+PJ121318	TTKKKKEM 	C42H80N12O13S	992.5689	NA	PeJP	NA	NA
+PJ121319	GTLLLKYW 	C50H76N10O11	992.5695	NA	PeJP	NA	NA
+PJ121320	ASPPPLLLW 	C50H76N10O11	992.5696	NA	PeJP	NA	NA
+PJ121321	VLMRRRY 	C43H76N16O9S	992.5702	NA	PeJP	NA	NA
+PJ121322	PTLLKKMY 	C47H80N10O11S	992.5729	NA	PeJP	NA	NA
+PJ121323	PPLLLFFF 	C55H76N8O9	992.5736	NA	PeJP	NA	NA
+PJ121324	GSPKHRRR 	C40H72N20O10	992.5741	NA	PeJP	NA	NA
+PJ121325	ATTLLRRY 	C44H76N14O12	992.5767	NA	PeJP	NA	NA
+PJ121326	SSVLLRRY 	C44H76N14O12	992.5768	NA	PeJP	NA	NA
+PJ121327	PLLLLMFF 	C52H80N8O9S	992.5769	NA	PeJP	NA	NA
+PJ121328	LKHHFRR 	C45H72N18O8	992.5781	NA	PeJP	NA	NA
+PJ121329	TTTKKKMR 	C41H80N14O12S	992.5801	NA	PeJP	NA	NA
+PJ121330	LLLLLMMF 	C49H84N8O9S2	992.5803	NA	PeJP	NA	NA
+PJ121331	LQKKKYW 	C49H76N12O10	992.5808	NA	PeJP	NA	NA
+PJ121332	CKKFRRR 	C42H76N18O8S	992.5815	NA	PeJP	NA	NA
+PJ121333	AVLLKMRY 	C46H80N12O10S	992.5841	NA	PeJP	NA	NA
+PJ121334	GLLLKMRY 	C46H80N12O10S	992.5842	NA	PeJP	NA	NA
+PJ121335	VNHRRRR 	C39H72N22O9	992.5853	NA	PeJP	NA	NA
+PJ121336	SSTTTLKKK 	C42H80N12O15	992.5866	NA	PeJP	NA	NA
+PJ121337	SLKKKKMM 	C43H84N12O10S2	992.5875	NA	PeJP	NA	NA
+PJ121338	DKKKRRY 	C43H76N16O11	992.588	NA	PeJP	NA	NA
+PJ121339	SLLLKKEY 	C47H80N10O13	992.5907	NA	PeJP	NA	NA
+PJ121340	TKKKFRW 	C48H76N14O9	992.592	NA	PeJP	NA	NA
+PJ121341	PVLLLLYY 	C52H80N8O11	992.5947	NA	PeJP	NA	NA
+PJ121342	GVKKKMFR 	C45H80N14O9S	992.5954	NA	PeJP	NA	NA
+PJ121343	GHRRRRR 	C38H72N24O8	992.5966	NA	PeJP	NA	NA
+PJ121344	CCKKKKKK 	C42H84N14O9S2	992.5988	NA	PeJP	NA	NA
+PJ121345	SKKRRRY 	C42H76N18O10	992.5992	NA	PeJP	NA	NA
+PJ121346	STLLLKRY 	C46H80N12O12	992.6019	NA	PeJP	NA	NA
+PJ121347	LLLHRRW 	C47H76N16O8	992.6032	NA	PeJP	NA	NA
+MJ099215	Crellastatin I 	C58H88O11S	992.604734	NA	MeJP	NA	NA
+PJ121348	AAPPLLLLW 	C51H80N10O10	992.6059	NA	PeJP	NA	NA
+PJ121349	KKKMFRR 	C44H80N16O8S	992.6066	NA	PeJP	NA	NA
+PJ121350	VVLLKKMY 	C48H84N10O10S	992.6093	NA	PeJP	NA	NA
+PJ121351	GPPVRRRR 	C41H76N20O9	992.6105	NA	PeJP	NA	NA
+PJ121352	GTLKKKRY 	C45H80N14O11	992.6131	NA	PeJP	NA	NA
+PJ121353	GGGKKKKKY 	C45H80N14O11	992.6132	NA	PeJP	NA	NA
+PJ121354	LKKKKYW 	C50H80N12O9	992.6172	NA	PeJP	NA	NA
+PJ121355	ALKKKKMF 	C47H84N12O9S	992.6205	NA	PeJP	NA	NA
+PJ121356	PPRRRRR 	C40H76N22O8	992.6217	NA	PeJP	NA	NA
+PJ121357	SVLLLHRR 	C44H80N16O10	992.6244	NA	PeJP	NA	NA
+PJ121358	APPLLLLKE 	C48H84N10O12	992.6271	NA	PeJP	NA	NA
+PJ121359	VLLLLLFY 	C53H84N8O10	992.6311	NA	PeJP	NA	NA
+PJ121360	APPLKRRR 	C43H80N18O9	992.6356	NA	PeJP	NA	NA
+PJ121361	SVLKKKKY 	C47H84N12O11	992.6383	NA	PeJP	NA	NA
+PJ121362	VVLLKKFF 	C52H84N10O9	992.6423	NA	PeJP	NA	NA
+PJ121363	LKKHRRR 	C42H80N20O8	992.6469	NA	PeJP	NA	NA
+PJ121364	TLLLLKHR 	C46H84N14O10	992.6495	NA	PeJP	NA	NA
+PJ121365	PPVLKKRR 	C45H84N16O9	992.6608	NA	PeJP	NA	NA
+PJ121366	SPPLLLLLK 	C49H88N10O11	992.6634	NA	PeJP	NA	NA
+PJ121367	PPVTLLLLK 	C49H88N10O11	992.6635	NA	PeJP	NA	NA
+PJ121368	GPVLLLLLR 	C48H88N12O10	992.6747	NA	PeJP	NA	NA
+PJ121369	PLLLLLRR 	C47H88N14O9	992.6859	NA	PeJP	NA	NA
+PJ121370	APLLLLLLK 	C50H92N10O10	992.6998	NA	PeJP	NA	NA
+MJ099216	Archaeol; 3''-Hydroxy, 1-O-[?-D-galactopyranosyl-(1?6)-?-D-galactopyranoside] 	C55H108O14	992.773908	NA	MeJP	NA	NA
+5433	So-D1 (defensin)	XTCESPSHKFKGPCATNRNCES	992.9684	MH2+	Inhouse_peptide	NA	peptide
+PJ121371	CCCCCDDDD 	C31H47N9O18S5	993.1643	NA	PeJP	NA	NA
+C01894	Biotinyl-CoA	C31H50N9O18P3S2	993.1928	NA	KEGG	NA	NA
+MJ099217	Biotinyl-CoA 	C31H50N9O18P3S2	993.192806	NA	MeJP	NA	NA
+MetaCyc04362	biotinyl-CoA []	C31H50N9O18P3S2	993.192807	NA	metacyc	NA	NA
+PJ121372	CCCCCCNNE 	C31H51N11O14S6	993.1942	NA	PeJP	NA	NA
+PJ121373	SCCCCDDDM 	C32H51N9O17S5	993.2007	NA	PeJP	NA	NA
+PJ121374	PCCCCCCEM 	C33H55N9O12S7	993.2016	NA	PeJP	NA	NA
+PJ121375	GCCCCCCNW 	C35H51N11O11S6	993.2094	NA	PeJP	NA	NA
+PJ121376	GSSCCCCCND 	C31H51N11O16S5	993.2119	NA	PeJP	NA	NA
+PJ121377	GCCCCDEMM 	C33H55N9O14S6	993.2193	NA	PeJP	NA	NA
+PJ121378	SCCCCCNQM 	C32H55N11O13S6	993.2305	NA	PeJP	NA	NA
+PJ121379	GGSCCCCCQM 	C32H55N11O13S6	993.2306	NA	PeJP	NA	NA
+PJ121380	GCCCCDDEF 	C36H51N9O16S4	993.2337	NA	PeJP	NA	NA
+PJ121381	CCCCDMMW 	C37H55N9O11S6	993.2346	NA	PeJP	NA	NA
+PJ121382	SSCCCDDMM 	C33H55N9O16S5	993.2371	NA	PeJP	NA	NA
+PJ121383	PTCCCCCMM 	C34H59N9O11S7	993.2379	NA	PeJP	NA	NA
+PJ121384	GCCCCCEHH 	C34H51N13O12S5	993.2384	NA	PeJP	NA	NA
+PJ121385	SCCCCCCNR 	C31H55N13O12S6	993.2418	NA	PeJP	NA	NA
+PJ121386	GCCDDDDDH 	C34H47N11O20S2	993.2441	NA	PeJP	NA	NA
+PJ121387	GCCCCNNDY 	C35H51N11O15S4	993.2449	NA	PeJP	NA	NA
+PJ121388	GGGGGCCCCDY 	C35H51N11O15S4	993.245	NA	PeJP	NA	NA
+PJ121389	GSSSCCCCNM 	C32H55N11O15S5	993.2483	NA	PeJP	NA	NA
+PJ121390	CCCCDDFW 	C40H51N9O13S4	993.249	NA	PeJP	NA	NA
+PJ121391	GSCCCDDEY 	C36H51N9O18S3	993.2515	NA	PeJP	NA	NA
+PJ121392	GPCCCCDMY 	C37H55N9O13S5	993.2523	NA	PeJP	NA	NA
+PJ121393	CCCCCHHW 	C38H51N13O9S5	993.2537	NA	PeJP	NA	NA
+PJ121394	GSCCCEMMM 	C34H59N9O13S6	993.2557	NA	PeJP	NA	NA
+PJ121395	SSCCCCDHH 	C34H51N13O14S4	993.2562	NA	PeJP	NA	NA
+PJ121396	SPCCCDDDH 	C35H51N11O17S3	993.2627	NA	PeJP	NA	NA
+PJ121397	GCCCCNNMF 	C36H55N11O12S5	993.2636	NA	PeJP	NA	NA
+PJ121398	SSSSSCCCCQ 	C32H55N11O17S4	993.2661	NA	PeJP	NA	NA
+PJ121399	SCCCDDYW 	C40H51N9O15S3	993.2667	NA	PeJP	NA	NA
+PJ121400	SCCCCCNKM 	C33H59N11O12S6	993.2669	NA	PeJP	NA	NA
+PJ121401	SSSCCDDDY 	C36H51N9O20S2	993.2692	NA	PeJP	NA	NA
+PJ121402	CCNDDMMY 	C37H55N9O15S4	993.2701	NA	PeJP	NA	NA
+PJ121403	SCCCMMMW 	C38H59N9O10S6	993.271	NA	PeJP	NA	NA
+PJ121404	SSSCCDMMM 	C34H59N9O15S5	993.2735	NA	PeJP	NA	NA
+PJ121405	GCCCNNDEH 	C34H51N13O16S3	993.2739	NA	PeJP	NA	NA
+PJ121406	GGGGGCCCDEH 	C34H51N13O16S3	993.274	NA	PeJP	NA	NA
+PJ121407	CCNMMMMM 	C35H63N9O10S7	993.2743	NA	PeJP	NA	NA
+PJ121408	GTCCCCMHH 	C35H55N13O11S5	993.2748	NA	PeJP	NA	NA
+PJ121409	GNNDDDDDD 	C34H47N11O24	993.2796	NA	PeJP	NA	NA
+PJ121410	GSCDDDDMH 	C35H51N11O19S2	993.2805	NA	PeJP	NA	NA
+PJ121411	CCCCDERY 	C36H55N11O14S4	993.2813	NA	PeJP	NA	NA
+PJ121412	GSSSSSSSCCC 	C32H55N11O19S3	993.2838	NA	PeJP	NA	NA
+PJ121413	CCNDDDFY 	C40H51N9O17S2	993.2845	NA	PeJP	NA	NA
+PJ121414	GSSTCCCCCK 	C33H59N11O14S5	993.2847	NA	PeJP	NA	NA
+PJ121415	GCCCEMYW 	C41H55N9O12S4	993.2853	NA	PeJP	NA	NA
+PJ121416	GPCCCCDFF 	C41H55N9O12S4	993.2854	NA	PeJP	NA	NA
+PJ121417	GPDDDDDDM 	C36H51N9O22S	993.287	NA	PeJP	NA	NA
+PJ121418	GSSCCDEMY 	C37H55N9O17S3	993.2878	NA	PeJP	NA	NA
+PJ121419	GSPCCCMMY 	C38H59N9O12S5	993.2887	NA	PeJP	NA	NA
+PJ121420	CCCNNDHW 	C38H51N13O13S3	993.2892	NA	PeJP	NA	NA
+PJ121421	SSCCNNDDH 	C34H51N13O18S2	993.2917	NA	PeJP	NA	NA
+PJ121422	GSTCCMMMM 	C35H63N9O12S6	993.2921	NA	PeJP	NA	NA
+PJ121423	SSSCCCMHH 	C35H55N13O13S4	993.2926	NA	PeJP	NA	NA
+PJ121424	SCCDDEHW 	C39H51N11O16S2	993.2957	NA	PeJP	NA	NA
+PJ121425	PCCCDMHW 	C40H55N11O11S4	993.2966	NA	PeJP	NA	NA
+PJ121426	SSSCDDDEH 	C35H51N11O21S	993.2982	NA	PeJP	NA	NA
+PJ121427	SSSCCCNQY 	C36H55N11O16S3	993.2991	NA	PeJP	NA	NA
+PJ121428	ACCCCCNKF 	C37H59N11O11S5	993.2999	NA	PeJP	NA	NA
+PJ121429	CCCCEMFR 	C37H59N11O11S5	993.3	NA	PeJP	NA	NA
+PJ121430	CCCMYWW 	C45H55N9O9S4	993.3006	NA	PeJP	NA	NA
+PJ121431	PCDDDDEW 	C40H51N9O19S	993.3022	NA	PeJP	NA	NA
+PJ121432	SSSSSCCCCK 	C33H59N11O16S4	993.3024	NA	PeJP	NA	NA
+PJ121433	SSCCDMYW 	C41H55N9O14S3	993.3031	NA	PeJP	NA	NA
+PJ121434	TCCCCCCKK 	C34H63N11O11S6	993.3033	NA	PeJP	NA	NA
+PJ121435	ACCCMMFW 	C42H59N9O9S5	993.304	NA	PeJP	NA	NA
+PJ121436	NDDDEEEE 	C36H51N9O24	993.3047	NA	PeJP	NA	NA
+PJ121437	AADDDDDEE 	C36H51N9O24	993.3048	NA	PeJP	NA	NA
+PJ121438	SSSSCDDMY 	C37H55N9O19S2	993.3056	NA	PeJP	NA	NA
+PJ121439	SCNDMMMY 	C38H59N9O14S4	993.3065	NA	PeJP	NA	NA
+PJ121440	CCCNMHHF 	C39H55N13O10S4	993.3078	NA	PeJP	NA	NA
+HMDB03934	(S)-3-Hydroxytetradecanoyl-CoA	C35H62N7O18P3S	993.308472	NA	HMDB2010	NA	NA
+C05260	(S)-3-Hydroxytetradecanoyl-CoA	C35H62N7O18P3S	993.3085	NA	KEGG	NA	NA
+PJ121441	GCNNNNDDE 	C34H51N13O20S	993.3094	NA	PeJP	NA	NA
+PJ121442	GGGCNNNDDE 	C34H51N13O20S	993.3095	NA	PeJP	NA	NA
+PJ121443	SSSSCMMMM 	C35H63N9O14S5	993.3098	NA	PeJP	NA	NA
+PJ121444	CCDDDMHR 	C35H55N13O15S3	993.3103	NA	PeJP	NA	NA
+PJ121445	CNDDDEHF 	C39H51N11O18S	993.3135	NA	PeJP	NA	NA
+PJ121446	GCDDMMHW 	C40H55N11O13S3	993.3143	NA	PeJP	NA	NA
+PJ121447	GGGPPCCCDW 	C40H55N11O13S3	993.3144	NA	PeJP	NA	NA
+PJ121448	DDDDDDER 	C35H51N11O23	993.316	NA	PeJP	NA	NA
+PJ121449	GSSSSSCCNY 	C36H55N11O18S2	993.3168	NA	PeJP	NA	NA
+PJ121450	GGGPCNDDEM 	C36H55N11O18S2	993.3169	NA	PeJP	NA	NA
+PJ121451	SCCCEMRY 	C37H59N11O13S4	993.3177	NA	PeJP	NA	NA
+PJ121452	CCNDEHHH 	C37H51N15O14S2	993.3182	NA	PeJP	NA	NA
+PJ121453	GPCCCYYW 	C45H55N9O11S3	993.3184	NA	PeJP	NA	NA
+PJ121454	GDDDEEEW 	C40H51N9O21	993.32	NA	PeJP	NA	NA
+PJ121455	GCNDEMYY 	C41H55N9O16S2	993.3209	NA	PeJP	NA	NA
+PJ121456	GSCCCNDHR 	C34H55N15O14S3	993.3216	NA	PeJP	NA	NA
+PJ121457	GTCCMMYW 	C42H59N9O11S4	993.3217	NA	PeJP	NA	NA
+PJ121458	GSPDDDEEM 	C37H55N9O21S	993.3234	NA	PeJP	NA	NA
+PJ121459	GSSSCEMMY 	C38H59N9O16S3	993.3242	NA	PeJP	NA	NA
+PJ121460	CNNNNDDW 	C38H51N13O17S	993.3247	NA	PeJP	NA	NA
+PJ121461	GCQMMMMY 	C39H63N9O11S5	993.3251	NA	PeJP	NA	NA
+PJ121462	SCCNNMHW 	C39H55N13O12S3	993.3256	NA	PeJP	NA	NA
+PJ121463	SSNNNNDDD 	C34H51N13O22	993.3272	NA	PeJP	NA	NA
+PJ121464	GPCCNDDDR 	C35H55N13O17S2	993.3281	NA	PeJP	NA	NA
+PJ121465	GCDDDHFW 	C43H51N11O15S	993.3287	NA	PeJP	NA	NA
+PJ121466	CNNNMMMH 	C36H59N13O12S4	993.3289	NA	PeJP	NA	NA
+PJ121467	GGGGCNMMMH 	C36H59N13O12S4	993.329	NA	PeJP	NA	NA
+PJ121468	CCEMHWW 	C44H55N11O10S3	993.3296	NA	PeJP	NA	NA
+PJ121469	SNNDDDEW 	C39H51N11O20	993.3312	NA	PeJP	NA	NA
+PJ121470	SSCDEMHW 	C40H55N11O15S2	993.3321	NA	PeJP	NA	NA
+PJ121471	SPCCMMHW 	C41H59N11O10S4	993.333	NA	PeJP	NA	NA
+PJ121472	GCCDHHHW 	C41H51N15O11S2	993.3334	NA	PeJP	NA	NA
+PJ121473	CCCFFWW 	C49H55N9O8S3	993.3336	NA	PeJP	NA	NA
+PJ121474	SSSSDDEMH 	C36H55N11O20S	993.3346	NA	PeJP	NA	NA
+PJ121475	DDDEEWW 	C44H51N9O18	993.3352	NA	PeJP	NA	NA
+PJ121476	SSSCCCNKY 	C37H59N11O15S3	993.3355	NA	PeJP	NA	NA
+PJ121477	GSSCDDHHH 	C37H51N15O16S	993.3359	NA	PeJP	NA	NA
+PJ121478	CNDMYYW 	C45H55N9O13S2	993.3361	NA	PeJP	NA	NA
+PJ121479	GCCMMMRY 	C38H63N11O10S5	993.3363	NA	PeJP	NA	NA
+PJ121480	GPTCCCHHH 	C38H55N15O11S3	993.3368	NA	PeJP	NA	NA
+PJ121481	SPDDDEMW 	C41H55N9O18S	993.3386	NA	PeJP	NA	NA
+PJ121482	GCNNNNNNM 	C34H55N15O16S2	993.3393	NA	PeJP	NA	NA
+PJ121483	GGGGGGGGGGGGGCM 	C34H55N15O16S2	993.3394	NA	PeJP	NA	NA
+PJ121484	SSSCMMYW 	C42H59N9O13S3	993.3395	NA	PeJP	NA	NA
+PJ121485	CCCNQMHR 	C35H59N15O11S4	993.3402	NA	PeJP	NA	NA
+PJ121486	SNEEEEEE 	C37H55N9O23	993.3411	NA	PeJP	NA	NA
+PJ121487	SSSSSDMMY 	C38H59N9O18S2	993.342	NA	PeJP	NA	NA
+PJ121488	GSPDDDDHH 	C38H51N13O19	993.3425	NA	PeJP	NA	NA
+PJ121489	SSNMMMMY 	C39H63N9O13S4	993.3428	NA	PeJP	NA	NA
+PJ121490	GGSSMMMMY 	C39H63N9O13S4	993.3429	NA	PeJP	NA	NA
+PJ121491	GSSSCCQHW 	C39H55N13O14S2	993.3433	NA	PeJP	NA	NA
+PJ121492	GGGGGGCDMHF 	C39H55N13O14S2	993.3434	NA	PeJP	NA	NA
+PJ121493	NNDDDDMR 	C35H55N13O19S	993.3458	NA	PeJP	NA	NA
+PJ121494	GGGGDDDDMR 	C35H55N13O19S	993.3459	NA	PeJP	NA	NA
+PJ121495	EEEMMYY 	C43H59N7O16S2	993.346	NA	PeJP	NA	NA
+PJ121496	GSNDDDWW 	C43H51N11O17	993.3465	NA	PeJP	NA	NA
+PJ121497	SCDDMMHR 	C36H59N13O14S3	993.3467	NA	PeJP	NA	NA
+PJ121498	APCCNDWW 	C44H55N11O12S2	993.3473	NA	PeJP	NA	NA
+PJ121499	GPCCNEWW 	C44H55N11O12S2	993.3474	NA	PeJP	NA	NA
+PJ121500	VCNNDDEW 	C40H55N11O17S	993.3498	NA	PeJP	NA	NA
+PJ121501	GNNDEEMW 	C40H55N11O17S	993.3499	NA	PeJP	NA	NA
+PJ121502	GSDMMMHW 	C41H59N11O12S3	993.3507	NA	PeJP	NA	NA
+PJ121503	ACCYYWW 	C49H55N9O10S2	993.3514	NA	PeJP	NA	NA
+PJ121504	ASSNNDEEE 	C36H55N11O22	993.3523	NA	PeJP	NA	NA
+PJ121505	SDDDEEER 	C36H55N11O22	993.3524	NA	PeJP	NA	NA
+PJ121506	PDDDDMMR 	C37H59N11O17S2	993.3532	NA	PeJP	NA	NA
+PJ121507	NNNDDEHH 	C37H51N15O18	993.3537	NA	PeJP	NA	NA
+PJ121508	GSSCEYYW 	C45H55N9O15S	993.3539	NA	PeJP	NA	NA
+PJ121509	STCCMMRY 	C38H63N11O12S4	993.3541	NA	PeJP	NA	NA
+PJ121510	SCNEMHHH 	C38H55N15O13S2	993.3546	NA	PeJP	NA	NA
+PJ121511	CNMMFYW 	C46H59N9O10S3	993.3547	NA	PeJP	NA	NA
+PJ121512	GAPCCCFFF 	C46H59N9O10S3	993.3548	NA	PeJP	NA	NA
+PJ121513	GSEEEEEW 	C41H55N9O20	993.3564	NA	PeJP	NA	NA
+PJ121514	SSCNNNNNQ 	C34H55N15O18S	993.357	NA	PeJP	NA	NA
+PJ121515	GSCNNNDDR 	C34H55N15O18S	993.3571	NA	PeJP	NA	NA
+PJ121516	GSNEMMYY 	C42H59N9O15S2	993.3572	NA	PeJP	NA	NA
+PJ121517	GPDEEMMW 	C42H59N9O15S2	993.3573	NA	PeJP	NA	NA
+PJ121518	GCYYYYY 	C50H55N7O13S	993.3579	NA	PeJP	NA	NA
+PJ121519	GGGGGPCCCQR 	C35H59N15O13S3	993.358	NA	PeJP	NA	NA
+PJ121520	PCCCKMFY 	C43H63N9O10S4	993.3581	NA	PeJP	NA	NA
+PJ121521	GCCNQHFW 	C43H55N13O11S2	993.3586	NA	PeJP	NA	NA
+PJ121522	ASSPDEEEM 	C38H59N9O20S	993.3597	NA	PeJP	NA	NA
+PJ121523	AQEEEEEM 	C38H59N9O20S	993.3598	NA	PeJP	NA	NA
+PJ121524	DEEEFYY 	C46H55N7O18	993.3604	NA	PeJP	NA	NA
+PJ121525	GSSSTMMMY 	C39H63N9O15S3	993.3606	NA	PeJP	NA	NA
+PJ121526	GCNDDERW 	C39H55N13O16S	993.3611	NA	PeJP	NA	NA
+PJ121527	GCKMMMMY 	C40H67N9O10S5	993.3615	NA	PeJP	NA	NA
+PJ121528	SCCCQKHW 	C40H59N13O11S3	993.362	NA	PeJP	NA	NA
+PJ121529	PCCNWWW 	C48H55N11O9S2	993.3626	NA	PeJP	NA	NA
+PJ121530	GSSNDDDER 	C35H55N13O21	993.3636	NA	PeJP	NA	NA
+PJ121531	SSSSNNMMH 	C36H59N13O16S2	993.3644	NA	PeJP	NA	NA
+PJ121532	GSPCNDDMR 	C36H59N13O16S2	993.3645	NA	PeJP	NA	NA
+PJ121533	NNDEMWW 	C44H55N11O14S	993.3651	NA	PeJP	NA	NA
+PJ121534	GCEMMMHR 	C37H63N13O11S4	993.3653	NA	PeJP	NA	NA
+PJ121535	SCCDHHHR 	C37H55N17O12S2	993.3658	NA	PeJP	NA	NA
+PJ121536	TCMMHWW 	C45H59N11O9S3	993.366	NA	PeJP	NA	NA
+PJ121537	SSNNEEEW 	C40H55N11O19	993.3676	NA	PeJP	NA	NA
+PJ121538	SSSEMMHW 	C41H59N11O14S2	993.3685	NA	PeJP	NA	NA
+PJ121539	GNNDDHHW 	C41H51N15O15	993.369	NA	PeJP	NA	NA
+PJ121540	SSCYYWW 	C49H55N9O12S	993.3691	NA	PeJP	NA	NA
+PJ121541	QMMMMHW 	C42H63N11O9S4	993.3693	NA	PeJP	NA	NA
+PJ121542	GAMMMMHW 	C42H63N11O9S4	993.3694	NA	PeJP	NA	NA
+PJ121543	GSCMHHHW 	C42H55N15O10S2	993.3698	NA	PeJP	NA	NA
+PJ121544	GDEEEEMR 	C37H59N11O19S	993.371	NA	PeJP	NA	NA
+PJ121545	SEEEEWW 	C45H55N9O17	993.3716	NA	PeJP	NA	NA
+PJ121546	STQEMMMH 	C38H63N11O14S3	993.3718	NA	PeJP	NA	NA
+PJ121547	GGTTEMMMH 	C38H63N11O14S3	993.3719	NA	PeJP	NA	NA
+PJ121548	PCDDDHHR 	C38H55N15O15S	993.3723	NA	PeJP	NA	NA
+PJ121549	PDEMMWW 	C46H59N9O12S2	993.3725	NA	PeJP	NA	NA
+PJ121550	GNMMMHHH 	C39H59N15O10S3	993.3732	NA	PeJP	NA	NA
+PJ121551	GSSSSNNNNN 	C34H55N15O20	993.3748	NA	PeJP	NA	NA
+PJ121552	GGGGGGGGGGGSSSS 	C34H55N15O20	993.3749	NA	PeJP	NA	NA
+PJ121553	AAEEEEMW 	C42H59N9O17S	993.375	NA	PeJP	NA	NA
+PJ121554	SSSSCCQHR 	C35H59N15O15S2	993.3757	NA	PeJP	NA	NA
+PJ121555	QQMMMYY 	C43H63N9O12S3	993.3758	NA	PeJP	NA	NA
+PJ121556	SPPDMMMW 	C43H63N9O12S3	993.3759	NA	PeJP	NA	NA
+PJ121557	CNDDRWW 	C43H55N13O13S	993.3763	NA	PeJP	NA	NA
+PJ121558	GGCDDRWW 	C43H55N13O13S	993.3764	NA	PeJP	NA	NA
+PJ121559	GPPCCCCRR 	C36H63N15O10S4	993.3766	NA	PeJP	NA	NA
+PJ121560	SDKEEEEE 	C38H59N9O22	993.3775	NA	PeJP	NA	NA
+PJ121561	SSSSTTMMY 	C39H63N9O17S2	993.3783	NA	PeJP	NA	NA
+PJ121562	TTTTTTCCY 	C39H63N9O17S2	993.3784	NA	PeJP	NA	NA
+PJ121563	SSNDDDRW 	C39H55N13O18	993.3788	NA	PeJP	NA	NA
+PJ121564	GGSSDDDRW 	C39H55N13O18	993.3789	NA	PeJP	NA	NA
+PJ121565	PEEMYYY 	C47H59N7O15S	993.379	NA	PeJP	NA	NA
+PJ121566	STCKMMMY 	C40H67N9O12S4	993.3792	NA	PeJP	NA	NA
+PJ121567	GAPPEMMMM 	C40H67N9O12S4	993.3793	NA	PeJP	NA	NA
+PJ121568	SPCCNERW 	C40H59N13O13S2	993.3797	NA	PeJP	NA	NA
+PJ121569	GNDMWWW 	C48H55N11O11S	993.3804	NA	PeJP	NA	NA
+PJ121570	CMMMHRW 	C41H63N13O8S4	993.3806	NA	PeJP	NA	NA
+PJ121571	SNNDEEMR 	C36H59N13O18S	993.3822	NA	PeJP	NA	NA
+PJ121572	GSNNNYYY 	C44H55N11O16	993.3828	NA	PeJP	NA	NA
+PJ121573	GSSNEEWW 	C44H55N11O16	993.3829	NA	PeJP	NA	NA
+PJ121574	SSDMMMHR 	C37H63N13O13S3	993.3831	NA	PeJP	NA	NA
+PJ121575	NNNNNMHH 	C37H55N17O14S	993.3835	NA	PeJP	NA	NA
+PJ121576	GGNNNNMHH 	C37H55N17O14S	993.3836	NA	PeJP	NA	NA
+PJ121577	GSPCQMWW 	C45H59N11O11S2	993.3837	NA	PeJP	NA	NA
+PJ121578	ACCMHHHR 	C38H59N17O9S3	993.3844	NA	PeJP	NA	NA
+PJ121579	DEEEMRW 	C41H59N11O16S	993.3862	NA	PeJP	NA	NA
+PJ121580	GGGGATEEMW 	C41H59N11O16S	993.3863	NA	PeJP	NA	NA
+PJ121581	PDDEFWW 	C49H55N9O14	993.3869	NA	PeJP	NA	NA
+PJ121582	GGGGGGCCDRR 	C34H59N17O14S2	993.387	NA	PeJP	NA	NA
+PJ121583	GTTMMMHW 	C42H63N11O11S3	993.3871	NA	PeJP	NA	NA
+PJ121584	SSTCHHHW 	C42H55N15O12S	993.3876	NA	PeJP	NA	NA
+PJ121585	CNMFFFW 	C50H59N9O9S2	993.3878	NA	PeJP	NA	NA
+PJ121586	SSEEEEER 	C37H59N11O21	993.3887	NA	PeJP	NA	NA
+PJ121587	GGGSSDKEEE 	C37H59N11O21	993.3888	NA	PeJP	NA	NA
+PJ121588	SPDEEMMR 	C38H63N11O16S2	993.3896	NA	PeJP	NA	NA
+PJ121589	NNNNNNQY 	C38H55N15O17	993.3901	NA	PeJP	NA	NA
+PJ121590	GSSTMYYW 	C46H59N9O14S	993.3902	NA	PeJP	NA	NA
+PJ121591	VDEEMWW 	C46H59N9O14S	993.3903	NA	PeJP	NA	NA
+PJ121592	PPCEMMMR 	C39H67N11O11S4	993.3905	NA	PeJP	NA	NA
+PJ121593	GCNNNMRW 	C39H59N15O12S2	993.3909	NA	PeJP	NA	NA
+PJ121594	GGGCNNMRW 	C39H59N15O12S2	993.391	NA	PeJP	NA	NA
+PJ121595	PCCCKFFF 	C47H63N9O9S3	993.3911	NA	PeJP	NA	NA
+PJ121596	PCEHHWW 	C47H55N13O10S	993.3916	NA	PeJP	NA	NA
+PJ121597	GSSSTTEYY 	C42H59N9O19	993.3927	NA	PeJP	NA	NA
+PJ121598	ATTEEEEW 	C42H59N9O19	993.3928	NA	PeJP	NA	NA
+PJ121599	SCNDDERR 	C35H59N15O17S	993.3934	NA	PeJP	NA	NA
+PJ121600	GGSCDDERR 	C35H59N15O17S	993.3935	NA	PeJP	NA	NA
+PJ121601	APTEEMMW 	C43H63N9O14S2	993.3936	NA	PeJP	NA	NA
+PJ121602	SSSNNNWW 	C43H55N13O15	993.3941	NA	PeJP	NA	NA
+PJ121603	PCCNDMRR 	C36H63N15O12S3	993.3943	NA	PeJP	NA	NA
+PJ121604	APPMMMMW 	C44H67N9O9S4	993.3945	NA	PeJP	NA	NA
+PJ121605	GSPCCRWW 	C44H59N13O10S2	993.395	NA	PeJP	NA	NA
+PJ121606	CQWWWW 	C52H55N11O8S	993.3956	NA	PeJP	NA	NA
+PJ121607	AKEEEEEM 	C39H63N9O19S	993.3961	NA	PeJP	NA	NA
+PJ121608	VEEEYYY 	C47H59N7O17	993.3968	NA	PeJP	NA	NA
+PJ121609	PVQEEMMM 	C40H67N9O14S3	993.397	NA	PeJP	NA	NA
+PJ121610	GSNDEMRW 	C40H59N13O15S	993.3975	NA	PeJP	NA	NA
+PJ121611	SSNEWWW 	C48H55N11O13	993.3981	NA	PeJP	NA	NA
+PJ121612	GPCNMMRW 	C41H63N13O10S3	993.3983	NA	PeJP	NA	NA
+PJ121613	GGGPCMMRW 	C41H63N13O10S3	993.3984	NA	PeJP	NA	NA
+PJ121614	GMMHFWW 	C49H59N11O8S2	993.399	NA	PeJP	NA	NA
+PJ121615	SSSSNQQQE 	C36H59N13O20	993.3999	NA	PeJP	NA	NA
+PJ121616	GSSSNEEER 	C36H59N13O20	993.4	NA	PeJP	NA	NA
+PJ121617	GNQEEMMR 	C37H63N13O15S2	993.4008	NA	PeJP	NA	NA
+PJ121618	GGGGAEEMMR 	C37H63N13O15S2	993.4009	NA	PeJP	NA	NA
+PJ121619	SNNDDHHR 	C37H55N17O16	993.4013	NA	PeJP	NA	NA
+PJ121620	GGGGGGGGGGGPNH 	C37H55N17O16	993.4014	NA	PeJP	NA	NA
+PJ121621	SQQEMWW 	C45H59N11O13S	993.4015	NA	PeJP	NA	NA
+PJ121622	GTMMMMHR 	C38H67N13O10S4	993.4017	NA	PeJP	NA	NA
+PJ121623	NYYYWW 	C53H55N9O11	993.4021	NA	PeJP	NA	NA
+PJ121624	SSCMHHHR 	C38H59N17O11S2	993.4022	NA	PeJP	NA	NA
+PJ121625	CQHHHFW 	C46H55N15O9S	993.4028	NA	PeJP	NA	NA
+PJ121626	SSNDKEEW 	C41H59N11O18	993.404	NA	PeJP	NA	NA
+PJ121627	SSPQQMMW 	C42H63N11O13S2	993.4048	NA	PeJP	NA	NA
+PJ121628	STTTMMHW 	C42H63N11O13S2	993.4049	NA	PeJP	NA	NA
+PJ121629	DDEHHRW 	C42H55N15O14	993.4053	NA	PeJP	NA	NA
+PJ121630	GGGGGTEHHW 	C42H55N15O14	993.4054	NA	PeJP	NA	NA
+PJ121631	PPDMYWW 	C50H59N9O11S	993.4055	NA	PeJP	NA	NA
+PJ121632	KMMMMHW 	C43H67N11O8S4	993.4057	NA	PeJP	NA	NA
+PJ121633	SSTTTTEMH 	C38H63N11O18S	993.4073	NA	PeJP	NA	NA
+PJ121634	ATEEEEMR 	C38H63N11O18S	993.4074	NA	PeJP	NA	NA
+PJ121635	SSSTTYYW 	C46H59N9O16	993.408	NA	PeJP	NA	NA
+PJ121636	APEEMMMR 	C39H67N11O13S3	993.4082	NA	PeJP	NA	NA
+PJ121637	GGGGGSPLMMM 	C39H67N11O13S3	993.4083	NA	PeJP	NA	NA
+PJ121638	GSCDDRRW 	C39H59N15O14S	993.4087	NA	PeJP	NA	NA
+PJ121639	TCKMYYW 	C47H63N9O11S2	993.4089	NA	PeJP	NA	NA
+PJ121640	NNNNFWW 	C47H55N13O12	993.4093	NA	PeJP	NA	NA
+PJ121641	GGNNNFWW 	C47H55N13O12	993.4094	NA	PeJP	NA	NA
+PJ121642	APCCCRRW 	C40H63N15O9S3	993.4096	NA	PeJP	NA	NA
+PJ121643	GSSSDDDRR 	C35H59N15O19	993.4112	NA	PeJP	NA	NA
+PJ121644	GTLEEEMW 	C43H63N9O16S	993.4114	NA	PeJP	NA	NA
+PJ121645	PPEYYYY 	C51H59N7O14	993.412	NA	PeJP	NA	NA
+PJ121646	GNDDMMRR 	C36H63N15O14S2	993.4121	NA	PeJP	NA	NA
+PJ121647	QKMMMYY 	C44H67N9O11S3	993.4122	NA	PeJP	NA	NA
+PJ121648	GPLEMMMW 	C44H67N9O11S3	993.4123	NA	PeJP	NA	NA
+PJ121649	SNDMRWW 	C44H59N13O12S	993.4127	NA	PeJP	NA	NA
+PJ121650	GGGGGGAMHFF 	C44H59N13O12S	993.4128	NA	PeJP	NA	NA
+PJ121651	GSSWWWW 	C52H55N11O10	993.4134	NA	PeJP	NA	NA
+PJ121652	TTKEEEEE 	C39H63N9O21	993.4139	NA	PeJP	NA	NA
+PJ121653	PTKEEEMM 	C40H67N9O16S2	993.4148	NA	PeJP	NA	NA
+PJ121654	SSSNEERW 	C40H59N13O17	993.4152	NA	PeJP	NA	NA
+PJ121655	GGGGGGGGVQEY 	C40H59N13O17	993.4153	NA	PeJP	NA	NA
+PJ121656	LEEMFYY 	C48H63N7O14S	993.4154	NA	PeJP	NA	NA
+PJ121657	PPKEMMMM 	C41H71N9O11S4	993.4156	NA	PeJP	NA	NA
+PJ121658	NQEMMRW 	C41H63N13O12S2	993.4161	NA	PeJP	NA	NA
+PJ121659	SPNEHHHH 	C41H55N17O13	993.4166	NA	PeJP	NA	NA
+PJ121660	GTQMWWW 	C49H59N11O10S	993.4167	NA	PeJP	NA	NA
+PJ121661	GGSCLWWW 	C49H59N11O10S	993.4168	NA	PeJP	NA	NA
+PJ121662	SSQQEEMR 	C37H63N13O17S	993.4186	NA	PeJP	NA	NA
+PJ121663	GSTTQEWW 	C45H59N11O15	993.4192	NA	PeJP	NA	NA
+PJ121664	GSSDKEWW 	C45H59N11O15	993.4193	NA	PeJP	NA	NA
+PJ121665	STTMMMHR 	C38H67N13O12S3	993.4195	NA	PeJP	NA	NA
+PJ121666	GNNEMHHR 	C38H59N17O13S	993.4199	NA	PeJP	NA	NA
+PJ121667	GGGNEMHHR 	C38H59N17O13S	993.42	NA	PeJP	NA	NA
+PJ121668	VNQMMWW 	C46H63N11O10S2	993.4201	NA	PeJP	NA	NA
+PJ121669	SNQHHWW 	C46H55N15O11	993.4206	NA	PeJP	NA	NA
+PJ121670	CHFFFFF 	C54H59N9O8S	993.4208	NA	PeJP	NA	NA
+PJ121671	GSQKEEMW 	C42H63N11O15S	993.4226	NA	PeJP	NA	NA
+PJ121672	PVDEYWW 	C50H59N9O13	993.4233	NA	PeJP	NA	NA
+PJ121673	GPNKMMMW 	C43H67N11O10S3	993.4235	NA	PeJP	NA	NA
+PJ121674	QQQMHHW 	C43H59N15O11S	993.424	NA	PeJP	NA	NA
+PJ121675	PPMMFWW 	C51H63N9O8S2	993.4241	NA	PeJP	NA	NA
+PJ121676	TTTEEEER 	C38H63N11O20	993.4251	NA	PeJP	NA	NA
+PJ121677	GLEEEMMR 	C39H67N11O15S2	993.426	NA	PeJP	NA	NA
+PJ121678	NNNNNNKY 	C39H59N15O16	993.4264	NA	PeJP	NA	NA
+PJ121679	GSSSSNNRW 	C39H59N15O16	993.4265	NA	PeJP	NA	NA
+PJ121680	TLEEMWW 	C47H63N9O13S	993.4266	NA	PeJP	NA	NA
+PJ121681	GPVEEMFW 	C47H63N9O13S	993.4267	NA	PeJP	NA	NA
+PJ121682	PPTMMMMR 	C40H71N11O10S4	993.4269	NA	PeJP	NA	NA
+PJ121683	CNEMRRW 	C40H63N15O11S2	993.4273	NA	PeJP	NA	NA
+PJ121684	GGGGACCKRW 	C40H63N15O11S2	993.4274	NA	PeJP	NA	NA
+PJ121685	PLMMMWW 	C48H67N9O8S3	993.4275	NA	PeJP	NA	NA
+PJ121686	GNQQHHHH 	C40H55N19O12	993.4278	NA	PeJP	NA	NA
+PJ121687	GTCRWWW 	C48H59N13O9S	993.428	NA	PeJP	NA	NA
+PJ121688	STTLEEEW 	C43H63N9O18	993.4291	NA	PeJP	NA	NA
+PJ121689	APKEEEEY 	C43H63N9O18	993.4292	NA	PeJP	NA	NA
+PJ121690	SSNDEMRR 	C36H63N15O16S	993.4298	NA	PeJP	NA	NA
+PJ121691	GGGGGGGSTTMR 	C36H63N15O16S	993.4299	NA	PeJP	NA	NA
+PJ121692	GVLEEMMW 	C44H67N9O13S2	993.43	NA	PeJP	NA	NA
+PJ121693	GSSSERWW 	C44H59N13O14	993.4305	NA	PeJP	NA	NA
+PJ121694	SPCNMMRR 	C37H67N15O11S3	993.4307	NA	PeJP	NA	NA
+PJ121695	GCNDHHRR 	C37H59N19O12S	993.4312	NA	PeJP	NA	NA
+PJ121696	VCNMRWW 	C45H63N13O9S2	993.4313	NA	PeJP	NA	NA
+PJ121697	GQMMRWW 	C45H63N13O9S2	993.4314	NA	PeJP	NA	NA
+PJ121698	GSPHHHHW 	C45H55N17O10	993.4318	NA	PeJP	NA	NA
+PJ121699	CKWWWW 	C53H59N11O7S	993.432	NA	PeJP	NA	NA
+PJ121700	SLKEEEEM 	C40H67N9O18S	993.4325	NA	PeJP	NA	NA
+PJ121701	PVKEEMMM 	C41H71N9O13S3	993.4334	NA	PeJP	NA	NA
+PJ121702	SSVCQERW 	C41H63N13O14S	993.4338	NA	PeJP	NA	NA
+PJ121703	GSTQEMRW 	C41H63N13O14S	993.4339	NA	PeJP	NA	NA
+PJ121704	SSDKWWW 	C49H59N11O12	993.4345	NA	PeJP	NA	NA
+PJ121705	APCCKMRW 	C42H67N13O9S3	993.4347	NA	PeJP	NA	NA
+PJ121706	NNMHHRW 	C42H59N17O10S	993.4352	NA	PeJP	NA	NA
+PJ121707	GSTTTDQER 	C37H63N13O19	993.4363	NA	PeJP	NA	NA
+PJ121708	GSSSDKEER 	C37H63N13O19	993.4364	NA	PeJP	NA	NA
+PJ121709	GNKEEMMR 	C38H67N13O14S2	993.4372	NA	PeJP	NA	NA
+PJ121710	GGGGGGDKKMM 	C38H67N13O14S2	993.4373	NA	PeJP	NA	NA
+PJ121711	SSNQEHHR 	C38H59N17O15	993.4377	NA	PeJP	NA	NA
+PJ121712	SQKEMWW 	C46H63N11O12S	993.4379	NA	PeJP	NA	NA
+PJ121713	PPDFFWW 	C54H59N9O10	993.4385	NA	PeJP	NA	NA
+PJ121714	CCDRRRW 	C39H63N17O10S2	993.4386	NA	PeJP	NA	NA
+PJ121715	CKHHHFW 	C47H59N15O8S	993.4392	NA	PeJP	NA	NA
+PJ121716	SSTQKEEW 	C42H63N11O17	993.4404	NA	PeJP	NA	NA
+PJ121717	SSCDDRRR 	C35H63N17O15S	993.4411	NA	PeJP	NA	NA
+PJ121718	LEEMMRW 	C43H67N11O12S2	993.4412	NA	PeJP	NA	NA
+MJ099218	Atosiban 	C43H67N11O12S2	993.441208	NA	MeJP	NA	NA
+PJ121719	AAQKEMMW 	C43H67N11O12S2	993.4413	NA	PeJP	NA	NA
+PJ121720	NNNQRYW 	C43H59N15O13	993.4417	NA	PeJP	NA	NA
+PJ121721	GGGGGGGGPVHW 	C43H59N15O13	993.4418	NA	PeJP	NA	NA
+PJ121722	PVEMFWW 	C51H63N9O10S	993.4419	NA	PeJP	NA	NA
+PJ121723	GCMRRWW 	C44H63N15O8S2	993.4426	NA	PeJP	NA	NA
+PJ121724	TTTTTTTMH 	C39H67N11O17S	993.4437	NA	PeJP	NA	NA
+PJ121725	STLEEEMR 	C39H67N11O17S	993.4438	NA	PeJP	NA	NA
+PJ121726	GPTLEEYW 	C47H63N9O15	993.4444	NA	PeJP	NA	NA
+PJ121727	SPLEMMMR 	C40H71N11O12S3	993.4446	NA	PeJP	NA	NA
+PJ121728	GSSDMRRW 	C40H63N15O13S	993.4451	NA	PeJP	NA	NA
+PJ121729	VLEMMWW 	C48H67N9O10S2	993.4453	NA	PeJP	NA	NA
+PJ121730	SSSRWWW 	C48H59N13O11	993.4457	NA	PeJP	NA	NA
+PJ121731	GGGPPTHWW 	C48H59N13O11	993.4458	NA	PeJP	NA	NA
+PJ121732	APCHHHHR 	C41H59N19O9S	993.4464	NA	PeJP	NA	NA
+PJ121733	GSSSSEERR 	C36H63N15O18	993.4476	NA	PeJP	NA	NA
+PJ121734	SSLLEEMW 	C44H67N9O15S	993.4478	NA	PeJP	NA	NA
+PJ121735	PLEFYYY 	C52H63N7O13	993.4484	NA	PeJP	NA	NA
+PJ121736	GSQEMMRR 	C37H67N15O13S2	993.4485	NA	PeJP	NA	NA
+PJ121737	SPVLMMMW 	C45H71N9O10S3	993.4486	NA	PeJP	NA	NA
+PJ121738	GAPPLMMMF 	C45H71N9O10S3	993.4487	NA	PeJP	NA	NA
+PJ121739	STQMRWW 	C45H63N13O11S	993.4491	NA	PeJP	NA	NA
+PJ121740	AAQFWWW 	C53H59N11O9	993.4498	NA	PeJP	NA	NA
+PJ121741	SSSTLLEEE 	C40H67N9O20	993.4503	NA	PeJP	NA	NA
+PJ121742	VVKEEEMM 	C41H71N9O15S2	993.4511	NA	PeJP	NA	NA
+PJ121743	GATLLEEMM 	C41H71N9O15S2	993.4512	NA	PeJP	NA	NA
+PJ121744	SSSDKERW 	C41H63N13O16	993.4516	NA	PeJP	NA	NA
+PJ121745	GGGGGGGGPPPVE 	C41H63N13O16	993.4517	NA	PeJP	NA	NA
+PJ121746	LLEMYYY 	C49H67N7O13S	993.4518	NA	PeJP	NA	NA
+PJ121747	PLLQMMMM 	C42H75N9O10S4	993.452	NA	PeJP	NA	NA
+PJ121748	NKEMMRW 	C42H67N13O11S2	993.4525	NA	PeJP	NA	NA
+PJ121749	GSSQHHRW 	C42H59N17O12	993.4529	NA	PeJP	NA	NA
+PJ121750	ASSNHHRW 	C42H59N17O12	993.453	NA	PeJP	NA	NA
+PJ121751	GTKMWWW 	C50H63N11O9S	993.4531	NA	PeJP	NA	NA
+PJ121752	SSQKEEMR 	C38H67N13O16S	993.455	NA	PeJP	NA	NA
+PJ121753	GSTTKEWW 	C46H63N11O14	993.4556	NA	PeJP	NA	NA
+PJ121754	GGGGGVLEYW 	C46H63N11O14	993.4557	NA	PeJP	NA	NA
+PJ121755	SPNKMMMR 	C39H71N13O11S3	993.4559	NA	PeJP	NA	NA
+PJ121756	GCNNQFRR 	C39H63N17O12S	993.4563	NA	PeJP	NA	NA
+PJ121757	GGGGGGACFRR 	C39H63N17O12S	993.4564	NA	PeJP	NA	NA
+PJ121758	VNKMMWW 	C47H67N11O9S2	993.4565	NA	PeJP	NA	NA
+PJ121759	SNKHHWW 	C47H59N15O10	993.457	NA	PeJP	NA	NA
+PJ121760	SSSSSNNRR 	C35H63N17O17	993.4588	NA	PeJP	NA	NA
+PJ121761	GSKKEEMW 	C43H67N11O14S	993.459	NA	PeJP	NA	NA
+PJ121762	PTLEYWW 	C51H63N9O12	993.4596	NA	PeJP	NA	NA
+PJ121763	VVEEFWW 	C51H63N9O12	993.4597	NA	PeJP	NA	NA
+PJ121764	APCKKMMW 	C44H71N11O9S3	993.4599	NA	PeJP	NA	NA
+PJ121765	STCRRWW 	C44H63N15O10S	993.4603	NA	PeJP	NA	NA
+PJ121766	GGPCRRYW 	C44H63N15O10S	993.4604	NA	PeJP	NA	NA
+PJ121767	NFRWWW 	C52H59N13O8	993.461	NA	PeJP	NA	NA
+PJ121768	GSSTKKEEE 	C39H67N11O19	993.4615	NA	PeJP	NA	NA
+PJ121769	SVLEEMMR 	C40H71N11O14S2	993.4624	NA	PeJP	NA	NA
+PJ121770	SSSSERRW 	C40H63N15O15	993.4628	NA	PeJP	NA	NA
+PJ121771	GGGAEERRY 	C40H63N15O15	993.4629	NA	PeJP	NA	NA
+PJ121772	GPVLEMYW 	C48H67N9O12S	993.463	NA	PeJP	NA	NA
+PJ121773	PCLLMMMR 	C41H75N11O9S4	993.4632	NA	PeJP	NA	NA
+PJ121774	PVVMMMMR 	C41H75N11O9S4	993.4633	NA	PeJP	NA	NA
+PJ121775	SQMMRRW 	C41H67N15O10S2	993.4637	NA	PeJP	NA	NA
+PJ121776	AAEHHHHR 	C41H59N19O11	993.4642	NA	PeJP	NA	NA
+PJ121777	VVMHHWW 	C49H63N13O8S	993.4644	NA	PeJP	NA	NA
+PJ121778	SPLKEEEY 	C44H67N9O17	993.4655	NA	PeJP	NA	NA
+PJ121779	SSTQEMRR 	C37H67N15O15S	993.4662	NA	PeJP	NA	NA
+PJ121780	ATLLEMMW 	C45H71N9O12S2	993.4664	NA	PeJP	NA	NA
+PJ121781	GSTTTRWW 	C45H63N13O13	993.4669	NA	PeJP	NA	NA
+PJ121782	AAQMMMRR 	C38H71N15O10S3	993.4671	NA	PeJP	NA	NA
+PJ121783	GSNMHHRR 	C38H63N19O11S	993.4676	NA	PeJP	NA	NA
+PJ121784	GKMMRWW 	C46H67N13O8S2	993.4677	NA	PeJP	NA	NA
+PJ121785	LQHHHHW 	C46H59N17O9	993.4682	NA	PeJP	NA	NA
+PJ121786	GTTTLLEEM 	C41H71N9O17S	993.4689	NA	PeJP	NA	NA
+PJ121787	VLLQEMMM 	C42H75N9O12S3	993.4698	NA	PeJP	NA	NA
+PJ121788	GSTKEMRW 	C42H67N13O13S	993.4702	NA	PeJP	NA	NA
+PJ121789	GGGGSSKKMW 	C42H67N13O13S	993.4703	NA	PeJP	NA	NA
+PJ121790	STTKWWW 	C50H63N11O11	993.4709	NA	PeJP	NA	NA
+PJ121791	CQKHHRW 	C43H63N17O9S	993.4716	NA	PeJP	NA	NA
+PJ121792	GSSTTKEER 	C38H67N13O18	993.4727	NA	PeJP	NA	NA
+PJ121793	GGGGGSSSSTLK 	C38H67N13O18	993.4728	NA	PeJP	NA	NA
+PJ121794	GDKKEMMR 	C39H71N13O13S2	993.4736	NA	PeJP	NA	NA
+PJ121795	NDDRRRY 	C39H63N17O14	993.4741	NA	PeJP	NA	NA
+PJ121796	AKMRYYY 	C47H67N11O11S	993.4742	NA	PeJP	NA	NA
+PJ121797	SKKEMWW 	C47H67N11O11S	993.4743	NA	PeJP	NA	NA
+PJ121798	PPVFYWW 	C55H63N9O9	993.4749	NA	PeJP	NA	NA
+PJ121799	SCMRRRW 	C40H67N17O9S2	993.475	NA	PeJP	NA	NA
+PJ121800	DHHHHRR 	C40H59N21O10	993.4754	NA	PeJP	NA	NA
+PJ121801	ASTTTTLNW 	C43H67N11O16	993.4767	NA	PeJP	NA	NA
+PJ121802	SSTKKEEW 	C43H67N11O16	993.4768	NA	PeJP	NA	NA
+PJ121803	SSSDMRRR 	C36H67N17O14S	993.4775	NA	PeJP	NA	NA
+PJ121804	AAKKEMMW 	C44H71N11O11S2	993.4776	NA	PeJP	NA	NA
+PJ121805	GGGGPLKMMF 	C44H71N11O11S2	993.4777	NA	PeJP	NA	NA
+PJ121806	GQERRYW 	C44H63N15O12	993.4781	NA	PeJP	NA	NA
+PJ121807	PVLMYWW 	C52H67N9O9S	993.4783	NA	PeJP	NA	NA
+8127	peptide derived from muscle protein of bullfrog (Rana catesbeiana Shaw)	LEQQVDDLEGSLEQEKK	993.4784	MH2+	Inhouse_peptide	NA	peptide
+PJ121808	SDKKKEEM 	C40H71N11O16S	993.4801	NA	PeJP	NA	NA
+PJ121809	AALLEEYW 	C48H67N9O14	993.4808	NA	PeJP	NA	NA
+PJ121810	ALLEMMMR 	C41H75N11O11S3	993.481	NA	PeJP	NA	NA
+PJ121811	GSTTMRRW 	C41H67N15O12S	993.4815	NA	PeJP	NA	NA
+PJ121812	GPLLMMFW 	C49H71N9O9S2	993.4817	NA	PeJP	NA	NA
+PJ121813	GVQRYWW 	C49H63N13O10	993.4821	NA	PeJP	NA	NA
+PJ121814	GSSTTTERR 	C37H67N15O17	993.484	NA	PeJP	NA	NA
+PJ121815	SPPTTCLLY 	C45H71N9O14S	993.4841	NA	PeJP	NA	NA
+PJ121816	TTTLLEMW 	C45H71N9O14S	993.4842	NA	PeJP	NA	NA
+3991	f(1-16 of bovine lactoferrin 	APRKNVRWCTISQPEW	993.48445	MH2+	Inhouse_peptide	NA	peptide
+PJ121817	PLLYYYY 	C53H67N7O12	993.4848	NA	PeJP	NA	NA
+PJ121818	GSKEMMRR 	C38H71N15O12S2	993.4849	NA	PeJP	NA	NA
+PJ121819	GLLLMMMW 	C46H75N9O9S3	993.485	NA	PeJP	NA	NA
+PJ121820	SSSQHHRR 	C38H63N19O13	993.4853	NA	PeJP	NA	NA
+PJ121821	STKMRWW 	C46H67N13O10S	993.4855	NA	PeJP	NA	NA
+PJ121822	AAKFWWW 	C54H63N11O8	993.4861	NA	PeJP	NA	NA
+PJ121823	LHHFFFF 	C54H63N11O8	993.4862	NA	PeJP	NA	NA
+PJ121824	STTTTLLEE 	C41H71N9O19	993.4866	NA	PeJP	NA	NA
+PJ121825	TTTTTLLDE 	C41H71N9O19	993.4867	NA	PeJP	NA	NA
+PJ121826	TLLKEEMM 	C42H75N9O14S2	993.4875	NA	PeJP	NA	NA
+PJ121827	SSTTKERW 	C42H67N13O15	993.488	NA	PeJP	NA	NA
+PJ121828	PLLKMMMM 	C43H79N9O9S4	993.4884	NA	PeJP	NA	NA
+PJ121829	DKKMMRW 	C43H71N13O10S2	993.4889	NA	PeJP	NA	NA
+PJ121830	PNEHRRW 	C43H63N17O11	993.4893	NA	PeJP	NA	NA
+PJ121831	GGPEHRRW 	C43H63N17O11	993.4894	NA	PeJP	NA	NA
+PJ121832	PCKKFWW 	C51H67N11O8S	993.4895	NA	PeJP	NA	NA
+PJ121833	SSKKEEMR 	C39H71N13O15S	993.4914	NA	PeJP	NA	NA
+PJ121834	SSSTLKWW 	C47H67N11O13	993.492	NA	PeJP	NA	NA
+PJ121835	GLQKMMMR 	C40H75N13O10S3	993.4922	NA	PeJP	NA	NA
+PJ121836	AAACLKMMR 	C40H75N13O10S3	993.4923	NA	PeJP	NA	NA
+PJ121837	GSPCRRRY 	C40H67N17O11S	993.4927	NA	PeJP	NA	NA
+PJ121838	CLKKMWW 	C48H71N11O8S2	993.4929	NA	PeJP	NA	NA
+PJ121839	QRRYWW 	C48H63N15O9	993.4934	NA	PeJP	NA	NA
+PJ121840	ATTKKEMW 	C44H71N11O13S	993.4954	NA	PeJP	NA	NA
+PJ121841	VVLEYWW 	C52H67N9O11	993.496	NA	PeJP	NA	NA
+PJ121842	GPVLEFFW 	C52H67N9O11	993.4961	NA	PeJP	NA	NA
+PJ121843	AQMFRRW 	C45H67N15O9S	993.4967	NA	PeJP	NA	NA
+PJ121844	SSSSLKKEE 	C40H71N11O18	993.4979	NA	PeJP	NA	NA
+PJ121845	TTLLEMMR 	C41H75N11O13S2	993.4988	NA	PeJP	NA	NA
+PJ121846	SSTTTRRW 	C41H67N15O14	993.4992	NA	PeJP	NA	NA
+PJ121847	GGGGGDKKRY 	C41H67N15O14	993.4993	NA	PeJP	NA	NA
+PJ121848	APTLLMYW 	C49H71N9O11S	993.4994	NA	PeJP	NA	NA
+PJ121849	SKMMRRW 	C42H71N15O9S2	993.5001	NA	PeJP	NA	NA
+PJ121850	NQHHFRR 	C42H63N19O10	993.5006	NA	PeJP	NA	NA
+PJ121851	ALLKEEEY 	C45H71N9O16	993.5019	NA	PeJP	NA	NA
+PJ121852	SSTKEMRR 	C38H71N15O14S	993.5026	NA	PeJP	NA	NA
+PJ121853	STLLLMMW 	C46H75N9O11S2	993.5028	NA	PeJP	NA	NA
+PJ121854	ASSPKRYW 	C46H67N13O12	993.5032	NA	PeJP	NA	NA
+PJ121855	VNKERYW 	C46H67N13O12	993.5033	NA	PeJP	NA	NA
+PJ121856	AAKMMMRR 	C39H75N15O9S3	993.5035	NA	PeJP	NA	NA
+PJ121857	GTCKHHRR 	C39H67N19O10S	993.504	NA	PeJP	NA	NA
+PJ121858	GPHRRWW 	C47H63N17O8	993.5046	NA	PeJP	NA	NA
+PJ121859	SSTTLLLEM 	C42H75N9O16S	993.5053	NA	PeJP	NA	NA
+PJ121860	VLLKEMMM 	C43H79N9O11S3	993.5062	NA	PeJP	NA	NA
+PJ121861	SSSLKMRW 	C43H71N13O12S	993.5066	NA	PeJP	NA	NA
+PJ121862	GGGGGGVKKMF 	C43H71N13O12S	993.5067	NA	PeJP	NA	NA
+PJ121863	SPKKYWW 	C51H67N11O10	993.5073	NA	PeJP	NA	NA
+PJ121864	ACFRRRW 	C44H67N17O8S	993.508	NA	PeJP	NA	NA
+PJ121865	SSSSTLKER 	C39H71N13O17	993.5091	NA	PeJP	NA	NA
+PJ121866	ATKKEMMR 	C40H75N13O12S2	993.51	NA	PeJP	NA	NA
+PJ121867	SQERRRY 	C40H67N17O13	993.5105	NA	PeJP	NA	NA
+PJ121868	AAPKKMYW 	C48H71N11O10S	993.5106	NA	PeJP	NA	NA
+PJ121869	GPCLKKYW 	C48H71N11O10S	993.5107	NA	PeJP	NA	NA
+PJ121870	PVLFFWW 	C56H67N9O8	993.5113	NA	PeJP	NA	NA
+PJ121871	TTTTKKEW 	C44H71N11O15	993.5131	NA	PeJP	NA	NA
+PJ121872	VVVTEERY 	C44H71N11O15	993.5132	NA	PeJP	NA	NA
+PJ121873	SSTTMRRR 	C37H71N17O13S	993.5138	NA	PeJP	NA	NA
+PJ121874	GTLKKMMW 	C45H75N11O10S2	993.514	NA	PeJP	NA	NA
+PJ121875	GKERRYW 	C45H67N15O11	993.5145	NA	PeJP	NA	NA
+PJ121876	VLLMFWW 	C53H71N9O8S	993.5147	NA	PeJP	NA	NA
+PJ121877	TTKKKEEM 	C41H75N11O15S	993.5165	NA	PeJP	NA	NA
+PJ121878	GTLLLEYW 	C49H71N9O13	993.5172	NA	PeJP	NA	NA
+PJ121879	SLLLMMMR 	C42H79N11O10S3	993.5174	NA	PeJP	NA	NA
+PJ121880	GSPKMRRY 	C42H71N15O11S	993.5179	NA	PeJP	NA	NA
+PJ121881	GVKRYWW 	C50H67N13O9	993.5185	NA	PeJP	NA	NA
+PJ121882	SSSSTTLRR 	C38H71N15O16	993.5203	NA	PeJP	NA	NA
+PJ121883	ASTTTTTRR 	C38H71N15O16	993.5204	NA	PeJP	NA	NA
+PJ121884	PTLLKEMY 	C46H75N9O13S	993.5205	NA	PeJP	NA	NA
+PJ121885	AAALLLEMY 	C46H75N9O13S	993.5206	NA	PeJP	NA	NA
+PJ121886	LLLFYYY 	C54H71N7O11	993.5212	NA	PeJP	NA	NA
+PJ121887	GSPEHRRR 	C39H67N19O12	993.5217	NA	PeJP	NA	NA
+PJ121888	VQKMFRW 	C47H71N13O9S	993.5219	NA	PeJP	NA	NA
+PJ121889	SSSLLLLMM 	C43H79N9O13S2	993.5239	NA	PeJP	NA	NA
+PJ121890	TTTTTKRW 	C43H71N13O14	993.5244	NA	PeJP	NA	NA
+PJ121891	ACCKKKKW 	C44H75N13O9S2	993.5253	NA	PeJP	NA	NA
+PJ121892	GTRRRYW 	C44H67N17O10	993.5257	NA	PeJP	NA	NA
+3477	alpha amylase ligand from Hordeum vulgare	PRHVFYRWFLSNPRI	993.52695	MH2+	Inhouse_peptide	NA	peptide
+PJ121893	SSSSVLKMR 	C40H75N13O14S	993.5277	NA	PeJP	NA	NA
+PJ121894	TTTKKEMR 	C40H75N13O14S	993.5278	NA	PeJP	NA	NA
+PJ121895	LQKKEYW 	C48H71N11O12	993.5284	NA	PeJP	NA	NA
+PJ121896	GLKKMMMR 	C41H79N13O9S3	993.5286	NA	PeJP	NA	NA
+PJ121897	VNMRRRY 	C41H71N17O10S	993.5291	NA	PeJP	NA	NA
+PJ121898	KRRYWW 	C49H67N15O8	993.5297	NA	PeJP	NA	NA
+PJ121899	PPPRRWW 	C49H67N15O8	993.5298	NA	PeJP	NA	NA
+PJ121900	STTLKKMW 	C45H75N11O12S	993.5318	NA	PeJP	NA	NA
+PJ121901	TLLLYWW 	C53H71N9O10	993.5324	NA	PeJP	NA	NA
+PJ121902	NQQHRRR 	C38H67N21O11	993.5329	NA	PeJP	NA	NA
+PJ121903	GGGAQHRRR 	C38H67N21O11	993.533	NA	PeJP	NA	NA
+PJ121904	AKMFRRW 	C46H71N15O8S	993.5331	NA	PeJP	NA	NA
+PJ121905	SSTTTLKKE 	C41H75N11O17	993.5343	NA	PeJP	NA	NA
+PJ121906	GTTCLLKKM 	C42H79N11O12S2	993.5351	NA	PeJP	NA	NA
+PJ121907	SLKKKEMM 	C42H79N11O12S2	993.5352	NA	PeJP	NA	NA
+PJ121908	DKKERRY 	C42H71N15O13	993.5356	NA	PeJP	NA	NA
+PJ121909	GGGGGGGPPLLR 	C42H71N15O13	993.5357	NA	PeJP	NA	NA
+PJ121910	GVLLLMYW 	C50H75N9O10S	993.5358	NA	PeJP	NA	NA
+PJ121911	SPHRRRW 	C43H67N19O9	993.537	NA	PeJP	NA	NA
+PJ121912	SLLLKEEY 	C46H75N9O15	993.5383	NA	PeJP	NA	NA
+PJ121913	TTTTKMRR 	C39H75N15O13S	993.539	NA	PeJP	NA	NA
+PJ121914	PVLLKMMY 	C47H79N9O10S2	993.5392	NA	PeJP	NA	NA
+PJ121915	VDKKRYW 	C47H71N13O11	993.5396	NA	PeJP	NA	NA
+PJ121916	PPPVDKRW 	C47H71N13O11	993.5397	NA	PeJP	NA	NA
+PJ121917	GMRRRRY 	C40H71N19O9S	993.5403	NA	PeJP	NA	NA
+PJ121918	TTTTTLLLM 	C43H79N9O15S	993.5417	NA	PeJP	NA	NA
+PJ121919	SSCKKKKW 	C44H75N13O11S	993.543	NA	PeJP	NA	NA
+PJ121920	ALKKYWW 	C52H71N11O9	993.5437	NA	PeJP	NA	NA
+PJ121921	SSTTTTLKR 	C40H75N13O16	993.5455	NA	PeJP	NA	NA
+PJ121922	STLKKMMR 	C41H79N13O11S2	993.5464	NA	PeJP	NA	NA
+PJ121923	AATTRRRY 	C41H71N17O12	993.5468	NA	PeJP	NA	NA
+PJ121924	SKERRRY 	C41H71N17O12	993.5469	NA	PeJP	NA	NA
+PJ121925	LLLMRYW 	C49H75N11O9S	993.547	NA	PeJP	NA	NA
+PJ121926	STLLLERY 	C45H75N11O14	993.5495	NA	PeJP	NA	NA
+PJ121927	AAVLLLEEH 	C45H75N11O14	993.5496	NA	PeJP	NA	NA
+PJ121928	ALLLMMFR 	C46H79N11O9S2	993.5504	NA	PeJP	NA	NA
+PJ121929	SVKRRYW 	C46H71N15O10	993.5509	NA	PeJP	NA	NA
+PJ121930	SSSTLLKKM 	C42H79N11O14S	993.5529	NA	PeJP	NA	NA
+PJ121931	SSLLLLYW 	C50H75N9O12	993.5536	NA	PeJP	NA	NA
+PJ121932	VVKKKMMM 	C43H83N11O9S3	993.5538	NA	PeJP	NA	NA
+PJ121933	LQKMRRY 	C43H75N15O10S	993.5542	NA	PeJP	NA	NA
+PJ121934	GALKMRRY 	C43H75N15O10S	993.5543	NA	PeJP	NA	NA
+PJ121935	PLKKHWW 	C51H71N13O8	993.5549	NA	PeJP	NA	NA
+PJ121936	SSSSSKKKR 	C39H75N15O15	993.5567	NA	PeJP	NA	NA
+PJ121937	VVLLKEMY 	C47H79N9O12S	993.5569	NA	PeJP	NA	NA
+PJ121938	TCCKKKKR 	C40H79N15O10S2	993.5576	NA	PeJP	NA	NA
+PJ121939	STRRRRY 	C40H71N19O11	993.5581	NA	PeJP	NA	NA
+PJ121940	VKKMFRW 	C48H75N13O8S	993.5583	NA	PeJP	NA	NA
+PJ121941	GTLKKERY 	C44H75N13O13	993.5608	NA	PeJP	NA	NA
+PJ121942	VLQHRRW 	C45H71N17O9	993.5621	NA	PeJP	NA	NA
+PJ121943	GSSTKKKKM 	C41H79N13O13S	993.5641	NA	PeJP	NA	NA
+PJ121944	LKKKEYW 	C49H75N11O11	993.5648	NA	PeJP	NA	NA
+PJ121945	CLKRRRY 	C42H75N17O9S	993.5655	NA	PeJP	NA	NA
+PJ121946	SVLLLMRY 	C46H79N11O11S	993.5682	NA	PeJP	NA	NA
+PJ121947	GVLLLFFW 	C54H75N9O9	993.5688	NA	PeJP	NA	NA
+PJ121948	VDHRRRR 	C39H71N21O10	993.5693	NA	PeJP	NA	NA
+PJ121949	TTTTTTLKK 	C42H79N11O16	993.5706	NA	PeJP	NA	NA
+PJ121950	GTTLKRRY 	C43H75N15O12	993.572	NA	PeJP	NA	NA
+PJ121951	PVLLKMFF 	C51H79N9O9S	993.5722	NA	PeJP	NA	NA
+PJ121952	GFFRRRR 	C44H71N19O8	993.5733	NA	PeJP	NA	NA
+PJ121953	ALHRRRW 	C44H71N19O8	993.5734	NA	PeJP	NA	NA
+PJ121954	GTTTLLLLY 	C47H79N9O14	993.5747	NA	PeJP	NA	NA
+PJ121955	VLLLKMMF 	C48H83N9O9S2	993.5756	NA	PeJP	NA	NA
+PJ121956	TLKKRYW 	C48H75N13O10	993.576	NA	PeJP	NA	NA
+PJ121957	GVLKKMRY 	C45H79N13O10S	993.5794	NA	PeJP	NA	NA
+PJ121958	LLLFFRW 	C53H75N11O8	993.5801	NA	PeJP	NA	NA
+PJ121959	SSSTTKKKK 	C41H79N13O15	993.5819	NA	PeJP	NA	NA
+PJ121960	TCKKKKKM 	C42H83N13O10S2	993.5828	NA	PeJP	NA	NA
+PJ121961	SPTLKHRR 	C42H75N17O11	993.5832	NA	PeJP	NA	NA
+PJ121962	APPLERRR 	C42H75N17O11	993.5833	NA	PeJP	NA	NA
+PJ121963	SVLKKKEY 	C46H79N11O13	993.5859	NA	PeJP	NA	NA
+PJ121964	GPPLLRRW 	C47H75N15O9	993.5873	NA	PeJP	NA	NA
+PJ121965	PVVLLKYY 	C51H79N9O11	993.5899	NA	PeJP	NA	NA
+PJ121966	GGVLLLLFY 	C51H79N9O11	993.59	NA	PeJP	NA	NA
+PJ121967	LKKMRRY 	C44H79N15O9S	993.5906	NA	PeJP	NA	NA
+PJ121968	TLLLLKMY 	C48H83N9O11S	993.5933	NA	PeJP	NA	NA
+PJ121969	LKEHRRR 	C41H75N19O10	993.5945	NA	PeJP	NA	NA
+PJ121970	SSLLKKRY 	C45H79N13O12	993.5972	NA	PeJP	NA	NA
+PJ121971	VLKHRRW 	C46H75N17O8	993.5985	NA	PeJP	NA	NA
+PJ121972	SLLLLLHW 	C50H79N11O10	993.6012	NA	PeJP	NA	NA
+PJ121973	ALLKKKMY 	C47H83N11O10S	993.6046	NA	PeJP	NA	NA
+PJ121974	TLHRRRR 	C40H75N21O9	993.6057	NA	PeJP	NA	NA
+PJ121975	GSKKKKRY 	C44H79N15O11	993.6084	NA	PeJP	NA	NA
+PJ121976	SPPLLLLLE 	C48H83N9O13	993.6111	NA	PeJP	NA	NA
+PJ121977	PPVVLKRW 	C49H79N13O9	993.6124	NA	PeJP	NA	NA
+PJ121978	VLLLLMHR 	C46H83N13O9S	993.6158	NA	PeJP	NA	NA
+PJ121979	SPPLLRRR 	C43H79N17O10	993.6196	NA	PeJP	NA	NA
+PJ121980	TTLLKKKY 	C47H83N11O12	993.6223	NA	PeJP	NA	NA
+PJ121981	LKKFFRR 	C48H79N15O8	993.6237	NA	PeJP	NA	NA
+PJ121982	VVLLLKFY 	C52H83N9O10	993.6263	NA	PeJP	NA	NA
+PJ121983	PPVVLLLLM 	C49H87N9O10S	993.6297	NA	PeJP	NA	NA
+PJ121984	GPPKKRRR 	C42H79N19O9	993.6309	NA	PeJP	NA	NA
+PJ121985	ATKKKKKY 	C46H83N13O11	993.6335	NA	PeJP	NA	NA
+PJ121986	APPVTLLKR 	C46H83N13O11	993.6336	NA	PeJP	NA	NA
+MJ099219	Surfactin; Surfactin B1, 4-L-Alanine analogue 	C50H87N7O13	993.636185	NA	MeJP	NA	NA
+MJ099220	Surfactin; Surfactin B2, 4-L-Alanine analogue 	C50H87N7O13	993.636185	NA	MeJP	NA	NA
+PJ121987	PPLLLKKW 	C51H83N11O9	993.6376	NA	PeJP	NA	NA
+PJ121988	PVLLLQRR 	C45H83N15O10	993.6448	NA	PeJP	NA	NA
+PJ121989	APLLLLLLE 	C49H87N9O12	993.6475	NA	PeJP	NA	NA
+PJ121990	APLLLRRR 	C44H83N17O9	993.656	NA	PeJP	NA	NA
+PJ121991	SPPVLLLKK 	C48H87N11O11	993.6587	NA	PeJP	NA	NA
+PJ121992	AAPLLLLKR 	C47H87N13O10	993.6699	NA	PeJP	NA	NA
+PJ121993	PVLLLKRR 	C46H87N15O9	993.6812	NA	PeJP	NA	NA
+PJ121994	SPLLLLLLL 	C50H91N9O11	993.6838	NA	PeJP	NA	NA
+PJ121995	SPIILLLLL 	C50H91N9O11	993.6839	NA	PeJP	NA	NA
+PJ121996	GPLLLLLKK 	C49H91N11O10	993.6951	NA	PeJP	NA	NA
+PJ121997	ALLLLLLLL 	C51H95N9O10	993.7202	NA	PeJP	NA	NA
+MJ099221	Bisfucopentaphlorethol A 	C48H34O24	994.144002	NA	MeJP	NA	NA
+PJ121998	CCCCCCNDE 	C31H50N10O15S6	994.1782	NA	PeJP	NA	NA
+PJ121999	GCCCCCCDW 	C35H50N10O12S6	994.1934	NA	PeJP	NA	NA
+PJ122000	GSSCCCCCDD 	C31H50N10O17S5	994.1959	NA	PeJP	NA	NA
+PJ122001	GPTCCCCCCC 	C32H54N10O12S7	994.1968	NA	PeJP	NA	NA
+PJ122002	SCCCCCNEM 	C32H54N10O14S6	994.2146	NA	PeJP	NA	NA
+PJ122003	SCCCCCCDR 	C31H54N12O13S6	994.2258	NA	PeJP	NA	NA
+PJ122004	GCCCCNDDY 	C35H50N10O16S4	994.2289	NA	PeJP	NA	NA
+PJ122005	GGGCCCCDDY 	C35H50N10O16S4	994.229	NA	PeJP	NA	NA
+PJ122006	GSCCCCCMW 	C36H54N10O11S6	994.2298	NA	PeJP	NA	NA
+PJ122007	GSSSCCCCDM 	C32H54N10O16S5	994.2323	NA	PeJP	NA	NA
+PJ122008	GCCCCNMMM 	C33H58N10O11S7	994.2332	NA	PeJP	NA	NA
+PJ122009	ACCCCCCMR 	C32H58N12O10S7	994.2444	NA	PeJP	NA	NA
+PJ122010	SSTCCCCCW 	C36H54N10O13S5	994.2476	NA	PeJP	NA	NA
+C11257	Calcein AM	C46H46N2O23	994.2491	NA	KEGG	NA	NA
+PJ122011	SSSSSCCCCE 	C32H54N10O18S4	994.2501	NA	PeJP	NA	NA
+PJ122012	SSCCCCQMM 	C33H58N10O13S6	994.2509	NA	PeJP	NA	NA
+PJ122013	GGSTCCCCMM 	C33H58N10O13S6	994.251	NA	PeJP	NA	NA
+PJ122014	CCDDDMMY 	C37H54N8O16S4	994.2541	NA	PeJP	NA	NA
+PJ122015	GCCCNDDEH 	C34H50N12O17S3	994.2579	NA	PeJP	NA	NA
+PJ122016	GGGCCCDDEH 	C34H50N12O17S3	994.258	NA	PeJP	NA	NA
+PJ122017	CCDMMMMM 	C35H62N8O11S7	994.2583	NA	PeJP	NA	NA
+FL5FACGL0069	Quercetin 3-(6''''-sinapylsophorotrioside)	C44H50O26	994.25903	167638-67-7	knapsack	NA	NA
+MJ099222	3,3',4',5,7-Pentahydroxyflavone; 3-O-[4-Hydroxy-3,5-dimethoxy-E-cinnamoyl-(?6)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranosyl-(1?2)-?-D-glucopyranoside] 	C44H50O26	994.259031	NA	MeJP	NA	NA
+PJ122018	SSCCCCCMR 	C32H58N12O12S6	994.2622	NA	PeJP	NA	NA
+PJ122019	CCCCCQFW 	C40H54N10O10S5	994.2628	NA	PeJP	NA	NA
+PJ122020	GNDDDDDDD 	C34H46N10O25	994.2636	NA	PeJP	NA	NA
+PJ122021	GSCCCNDMY 	C36H54N10O15S4	994.2653	NA	PeJP	NA	NA
+PJ122022	CCDDDDFY 	C40H50N8O18S2	994.2685	NA	PeJP	NA	NA
+PJ122023	GSSSSCCCMM 	C33H58N10O15S5	994.2687	NA	PeJP	NA	NA
+PJ122024	ACCCCCKMM 	C34H62N10O10S7	994.2696	NA	PeJP	NA	NA
+PJ122025	CCDDMMMF 	C38H58N8O13S5	994.2727	NA	PeJP	NA	NA
+PJ122026	CCCNDDHW 	C38H50N12O14S3	994.2732	NA	PeJP	NA	NA
+PJ122027	SSCCNDDDH 	C34H50N12O19S2	994.2757	NA	PeJP	NA	NA
+PJ122028	SPCCCCNEH 	C35H54N12O14S4	994.2766	NA	PeJP	NA	NA
+PJ122029	CCCMMMHH 	C36H58N12O9S6	994.2774	NA	PeJP	NA	NA
+PJ122030	SCCCCQYW 	C40H54N10O12S4	994.2806	NA	PeJP	NA	NA
+PJ122031	SPCNDDDDD 	C35H50N10O22S	994.2822	NA	PeJP	NA	NA
+PJ122032	SSSCCCNEY 	C36H54N10O17S3	994.2831	NA	PeJP	NA	NA
+PJ122033	CCCNQMMY 	C37H58N10O12S5	994.284	NA	PeJP	NA	NA
+PJ122034	SCDDDDYY 	C40H50N8O20S	994.2862	NA	PeJP	NA	NA
+PJ122035	SSSSSTCCCM 	C33H58N10O17S4	994.2865	NA	PeJP	NA	NA
+PJ122036	PCCCDEYY 	C41H54N8O15S3	994.2871	NA	PeJP	NA	NA
+PJ122037	SSCCCCKMM 	C34H62N10O12S6	994.2873	NA	PeJP	NA	NA
+PJ122038	GCCCNNNMH 	C34H54N14O13S4	994.2878	NA	PeJP	NA	NA
+PJ122039	DDDDEEEE 	C36H50N8O25	994.2888	NA	PeJP	NA	NA
+MJ099223	Antibiotic BU 4726G; Antibiotic BU 4726G-A 	C52H50O20	994.289544	NA	MeJP	NA	NA
+PJ122040	SCDDMMMY 	C38H58N8O15S4	994.2905	NA	PeJP	NA	NA
+PJ122041	GSPCCCCHW 	C39H54N12O11S4	994.2918	NA	PeJP	NA	NA
+PJ122042	GCNNNDDDE 	C34H50N12O21S	994.2935	NA	PeJP	NA	NA
+PJ122043	GSCCNDEMH 	C35H54N12O16S3	994.2943	NA	PeJP	NA	NA
+PJ122044	SCMMMMMM 	C36H66N8O10S7	994.2947	NA	PeJP	NA	NA
+PJ122045	CCCCNMRY 	C36H58N12O11S5	994.2952	NA	PeJP	NA	NA
+PJ122046	CDDDDEHF 	C39H50N10O19S	994.2975	NA	PeJP	NA	NA
+PJ122047	GSSSCCCYW 	C40H54N10O14S3	994.2983	NA	PeJP	NA	NA
+PJ122048	GPPCCCDDW 	C40H54N10O14S3	994.2984	NA	PeJP	NA	NA
+PJ122049	CCCCCKFW 	C41H58N10O9S5	994.2992	NA	PeJP	NA	NA
+PJ122050	GSNDDDDEE 	C35H50N10O24	994.3	NA	PeJP	NA	NA
+PJ122051	GSSSSSCCDY 	C36H54N10O19S2	994.3008	NA	PeJP	NA	NA
+PJ122052	GPCNDDDEM 	C36H54N10O19S2	994.3009	NA	PeJP	NA	NA
+PJ122053	GSSCCNMMY 	C37H58N10O14S4	994.3017	NA	PeJP	NA	NA
+PJ122054	CCDDEHHH 	C37H50N14O15S2	994.3022	NA	PeJP	NA	NA
+PJ122055	GCDDEMYY 	C41H54N8O17S2	994.3049	NA	PeJP	NA	NA
+PJ122056	GSCCCDDHR 	C34H54N14O15S3	994.3056	NA	PeJP	NA	NA
+PJ122057	PCCCEMFY 	C42H58N8O12S4	994.3057	NA	PeJP	NA	NA
+PJ122058	APCCCCCHR 	C35H58N14O10S5	994.3064	NA	PeJP	NA	NA
+PJ122059	CNNNDDDW 	C38H50N12O18S	994.3087	NA	PeJP	NA	NA
+PJ122060	GCEMMMMY 	C39H62N8O12S5	994.3091	NA	PeJP	NA	NA
+PJ122061	SCCNDMHW 	C39H54N12O13S3	994.3096	NA	PeJP	NA	NA
+PJ122062	SSNNNDDDD 	C34H50N12O23	994.3112	NA	PeJP	NA	NA
+PJ122063	GPCCDDDDR 	C35H54N12O18S2	994.3121	NA	PeJP	NA	NA
+PJ122064	ASSCCCCRY 	C36H58N12O13S4	994.3129	NA	PeJP	NA	NA
+PJ122065	GSTCCCCRY 	C36H58N12O13S4	994.313	NA	PeJP	NA	NA
+PJ122066	GCCCNFYW 	C44H54N10O11S3	994.3136	NA	PeJP	NA	NA
+PJ122067	SNDDDDEW 	C39H50N10O21	994.3152	NA	PeJP	NA	NA
+PJ122068	GGSDDDDEW 	C39H50N10O21	994.3153	NA	PeJP	NA	NA
+PJ122069	PCNDDDMW 	C40H54N10O16S2	994.3161	NA	PeJP	NA	NA
+PJ122070	SCCCCKYW 	C41H58N10O11S4	994.317	NA	PeJP	NA	NA
+PJ122071	NNDDEEEM 	C36H54N10O21S	994.3186	NA	PeJP	NA	NA
+PJ122072	SSSSCCQMY 	C37H58N10O16S3	994.3195	NA	PeJP	NA	NA
+PJ122073	CDDMYYW 	C45H54N8O14S2	994.3201	NA	PeJP	NA	NA
+PJ122074	CCCNKMMY 	C38H62N10O11S5	994.3203	NA	PeJP	NA	NA
+PJ122075	GGCCCKMMY 	C38H62N10O11S5	994.3204	NA	PeJP	NA	NA
+PJ122076	SSDDDMYY 	C41H54N8O19S	994.3226	NA	PeJP	NA	NA
+PJ122077	GSSSSCCNNH 	C34H54N14O17S2	994.3233	NA	PeJP	NA	NA
+PJ122078	GGGGGGGGGCNDM 	C34H54N14O17S2	994.3234	NA	PeJP	NA	NA
+PJ122079	SPCCEMYY 	C42H58N8O14S3	994.3235	NA	PeJP	NA	NA
+PJ122080	CCCNEMHR 	C35H58N14O12S4	994.3242	NA	PeJP	NA	NA
+PJ122081	CMMMMYW 	C43H62N8O9S5	994.3244	NA	PeJP	NA	NA
+PJ122082	GTCCCHWW 	C43H54N12O10S3	994.3248	NA	PeJP	NA	NA
+PJ122083	SDEEEEEE 	C37H54N8O24	994.3251	NA	PeJP	NA	NA
+PJ122084	PDDEEEMM 	C38H58N8O19S2	994.326	NA	PeJP	NA	NA
+PJ122085	SSDMMMMY 	C39H62N8O14S4	994.3269	NA	PeJP	NA	NA
+PJ122086	GSSSCCEHW 	C39H54N12O15S2	994.3273	NA	PeJP	NA	NA
+PJ122087	GGGSPCCNDW 	C39H54N12O15S2	994.3274	NA	PeJP	NA	NA
+PJ122088	ACMMMMMF 	C40H66N8O9S6	994.3277	NA	PeJP	NA	NA
+PJ122089	GCCQMMHW 	C40H58N12O10S4	994.3282	NA	PeJP	NA	NA
+PJ122090	GSSSSSCDEH 	C35H54N12O20S	994.3298	NA	PeJP	NA	NA
+PJ122091	NDDDDDMR 	C35H54N12O20S	994.3299	NA	PeJP	NA	NA
+PJ122092	GSDDDDWW 	C43H50N10O18	994.3305	NA	PeJP	NA	NA
+PJ122093	SSSSCCCRY 	C36H58N12O15S3	994.3307	NA	PeJP	NA	NA
+PJ122094	GPCCDEWW 	C44H54N10O13S2	994.3314	NA	PeJP	NA	NA
+PJ122095	APCCCCKMH 	C37H62N12O10S5	994.3316	NA	PeJP	NA	NA
+PJ122096	CCNNMHHH 	C37H54N16O11S3	994.3321	NA	PeJP	NA	NA
+PJ122097	GNDDEEMW 	C40H54N10O18S	994.3339	NA	PeJP	NA	NA
+PJ122098	GSPPCCDMW 	C41H58N10O13S3	994.3347	NA	PeJP	NA	NA
+PJ122099	CCCCDHRR 	C34H58N16O11S4	994.3354	NA	PeJP	NA	NA
+PJ122100	GSSNDEEEE 	C36H54N10O23	994.3364	NA	PeJP	NA	NA
+PJ122101	GSSSSSSCMY 	C37H58N10O18S2	994.3372	NA	PeJP	NA	NA
+PJ122102	GGGSPDDEMM 	C37H58N10O18S2	994.3373	NA	PeJP	NA	NA
+PJ122103	NNDDDEHH 	C37H50N14O19	994.3377	NA	PeJP	NA	NA
+PJ122104	GPCDDYYY 	C45H54N8O16S	994.3379	NA	PeJP	NA	NA
+PJ122105	GSTCCCKMY 	C38H62N10O13S4	994.3381	NA	PeJP	NA	NA
+PJ122106	CCNNNNQW 	C38H54N14O14S2	994.3386	NA	PeJP	NA	NA
+PJ122107	CDMMFYW 	C46H58N8O11S3	994.3387	NA	PeJP	NA	NA
+PJ122108	PPCCCFYY 	C46H58N8O11S3	994.3388	NA	PeJP	NA	NA
+PJ122109	GCCCMHRW 	C39H58N14O9S4	994.3395	NA	PeJP	NA	NA
+PJ122110	PDDDEEEF 	C41H54N8O21	994.3404	NA	PeJP	NA	NA
+PJ122111	GSCNNDDDR 	C34H54N14O19S	994.3411	NA	PeJP	NA	NA
+PJ122112	GSDEMMYY 	C42H58N8O16S2	994.3413	NA	PeJP	NA	NA
+PJ122113	GPCCCNNER 	C35H58N14O14S3	994.3419	NA	PeJP	NA	NA
+PJ122114	GSSCCDMHR 	C35H58N14O14S3	994.342	NA	PeJP	NA	NA
+PJ122115	GPCMMMYY 	C43H62N8O11S4	994.3421	NA	PeJP	NA	NA
+PJ122116	SSSCCHWW 	C43H54N12O12S2	994.3426	NA	PeJP	NA	NA
+PJ122117	AEEEEEEM 	C38H58N8O21S	994.3438	NA	PeJP	NA	NA
+PJ122118	GCDDDERW 	C39H54N12O17S	994.3451	NA	PeJP	NA	NA
+PJ122119	GTMMMMMY 	C40H66N8O11S5	994.3455	NA	PeJP	NA	NA
+PJ122120	SSCNMMHW 	C40H58N12O12S3	994.346	NA	PeJP	NA	NA
+PJ122121	PCCDWWW 	C48H54N10O10S2	994.3466	NA	PeJP	NA	NA
+PJ122122	GSSDDDDER 	C35H54N12O22	994.3476	NA	PeJP	NA	NA
+PJ122123	GSPCDDDMR 	C36H58N12O17S2	994.3485	NA	PeJP	NA	NA
+PJ122124	NDDEMWW 	C44H54N10O15S	994.3491	NA	PeJP	NA	NA
+PJ122125	SNNMMMMH 	C37H62N12O12S4	994.3493	NA	PeJP	NA	NA
+PJ122126	GPPCCCEMR 	C37H62N12O12S4	994.3494	NA	PeJP	NA	NA
+PJ122127	GSSCCQHHH 	C37H54N16O13S2	994.3498	NA	PeJP	NA	NA
+PJ122128	PPTCCCWW 	C45H58N10O10S3	994.35	NA	PeJP	NA	NA
+PJ122129	SSNDEEEW 	C40H54N10O20	994.3516	NA	PeJP	NA	NA
+PJ122130	SPNDDMMW 	C41H58N10O15S2	994.3525	NA	PeJP	NA	NA
+PJ122131	GNDDDHHW 	C41H50N14O16	994.353	NA	PeJP	NA	NA
+PJ122132	CDDFFYW 	C49H54N8O13S	994.3531	NA	PeJP	NA	NA
+PJ122133	EMMMMHW 	C42H62N10O10S4	994.3534	NA	PeJP	NA	NA
+PJ122134	PCCDHHHF 	C42H54N14O11S2	994.3538	NA	PeJP	NA	NA
+PJ122135	SSSSSSSTCY 	C37H58N10O20S	994.355	NA	PeJP	NA	NA
+PJ122136	NDEEYYY 	C45H54N8O18	994.3556	NA	PeJP	NA	NA
+PJ122137	SSSSCCKMY 	C38H62N10O15S3	994.3558	NA	PeJP	NA	NA
+PJ122138	STEEMMMH 	C38H62N10O15S3	994.3559	NA	PeJP	NA	NA
+PJ122139	GSSCNNNNW 	C38H54N14O16S	994.3563	NA	PeJP	NA	NA
+PJ122140	GGGGGGGSSCNW 	C38H54N14O16S	994.3564	NA	PeJP	NA	NA
+PJ122141	SDMMYYW 	C46H58N8O13S2	994.3565	NA	PeJP	NA	NA
+PJ122142	SPMMMMMH 	C39H66N10O10S5	994.3567	NA	PeJP	NA	NA
+PJ122143	STCCCHRW 	C39H58N14O11S3	994.3572	NA	PeJP	NA	NA
+PJ122144	CMMMFFW 	C47H62N8O8S4	994.3574	NA	PeJP	NA	NA
+PJ122145	CCHHFYW 	C47H54N12O9S2	994.3578	NA	PeJP	NA	NA
+PJ122146	CCNHFWW 	C47H54N12O9S2	994.3579	NA	PeJP	NA	NA
+PJ122147	GSSSSNNNND 	C34H54N14O21	994.3588	NA	PeJP	NA	NA
+PJ122148	GGGGGGGSSSSND 	C34H54N14O21	994.3589	NA	PeJP	NA	NA
+PJ122149	SSSEEMYY 	C42H58N8O18S	994.359	NA	PeJP	NA	NA
+PJ122150	SSSSCCEHR 	C35H58N14O16S2	994.3597	NA	PeJP	NA	NA
+PJ122151	QEMMMYY 	C43H62N8O13S3	994.3599	NA	PeJP	NA	NA
+PJ122152	CDDDRWW 	C43H54N12O14S	994.3604	NA	PeJP	NA	NA
+PJ122153	SCCQMMHR 	C36H62N14O11S4	994.3606	NA	PeJP	NA	NA
+PJ122154	ACCMHHFF 	C44H58N12O9S3	994.3612	NA	PeJP	NA	NA
+PJ122155	TTEEEEEE 	C38H58N8O23	994.3615	NA	PeJP	NA	NA
+PJ122156	PTEEEEMM 	C39H62N8O18S2	994.3624	NA	PeJP	NA	NA
+PJ122157	GSSSNDEHY 	C39H54N12O19	994.3628	NA	PeJP	NA	NA
+PJ122158	SSDDDDRW 	C39H54N12O19	994.3629	NA	PeJP	NA	NA
+PJ122159	STTMMMMY 	C40H66N8O13S4	994.3632	NA	PeJP	NA	NA
+PJ122160	PPEEMMMM 	C40H66N8O13S4	994.3633	NA	PeJP	NA	NA
+PJ122161	SPCCDERW 	C40H58N12O14S2	994.3637	NA	PeJP	NA	NA
+PJ122162	GGGGGGGEMMW 	C40H58N12O14S2	994.3638	NA	PeJP	NA	NA
+PJ122163	GDDMWWW 	C48H54N10O12S	994.3644	NA	PeJP	NA	NA
+PJ122164	PPCCCMRW 	C41H62N12O9S4	994.3646	NA	PeJP	NA	NA
+PJ122165	SNDDEEMR 	C36H58N12O19S	994.3662	NA	PeJP	NA	NA
+PJ122166	GGGGGGGSTEEM 	C36H58N12O19S	994.3663	NA	PeJP	NA	NA
+PJ122167	GSSDEEWW 	C44H54N10O17	994.3669	NA	PeJP	NA	NA
+PJ122168	PCNDEMMR 	C37H62N12O14S3	994.3671	NA	PeJP	NA	NA
+PJ122169	SSSSCNHHH 	C37H54N16O15S	994.3676	NA	PeJP	NA	NA
+PJ122170	GSPCEMWW 	C45H58N10O12S2	994.3677	NA	PeJP	NA	NA
+PJ122171	ASPCDMWW 	C45H58N10O12S2	994.3678	NA	PeJP	NA	NA
+PJ122172	CCCQKHHH 	C38H58N16O10S3	994.3684	NA	PeJP	NA	NA
+PJ122173	GACCCKHHH 	C38H58N16O10S3	994.3685	NA	PeJP	NA	NA
+PJ122174	SSSPVCDDW 	C41H58N10O17S	994.3702	NA	PeJP	NA	NA
+PJ122175	GSQEEEMW 	C41H58N10O17S	994.3703	NA	PeJP	NA	NA
+PJ122176	GDEYYYW 	C49H54N8O15	994.3709	NA	PeJP	NA	NA
+PJ122177	GGGGCCDDRR 	C34H58N16O15S2	994.371	NA	PeJP	NA	NA
+PJ122178	GPNEMMMW 	C42H62N10O12S3	994.3711	NA	PeJP	NA	NA
+PJ122179	SPCNDHHW 	C42H54N14O13S	994.3716	NA	PeJP	NA	NA
+PJ122180	CDMFFFW 	C50H58N8O10S2	994.3718	NA	PeJP	NA	NA
+PJ122181	GSSTQEEEE 	C37H58N10O22	994.3727	NA	PeJP	NA	NA
+PJ122182	GGGSTTEEEE 	C37H58N10O22	994.3728	NA	PeJP	NA	NA
+PJ122183	AQQEEEMM 	C38H62N10O17S2	994.3736	NA	PeJP	NA	NA
+PJ122184	NNNNNNEY 	C38H54N14O18	994.3741	NA	PeJP	NA	NA
+PJ122185	GSPDMYYY 	C46H58N8O15S	994.3743	NA	PeJP	NA	NA
+PJ122186	SVEMMMMH 	C39H66N10O12S4	994.3745	NA	PeJP	NA	NA
+PJ122187	GCNNDMRW 	C39H58N14O13S2	994.375	NA	PeJP	NA	NA
+PJ122188	AMMMYYW 	C47H62N8O10S3	994.3751	NA	PeJP	NA	NA
+PJ122189	SCNNWWW 	C47H54N12O11S	994.3756	NA	PeJP	NA	NA
+PJ122190	GCMHHHHH 	C40H54N18O9S2	994.3763	NA	PeJP	NA	NA
+PJ122191	APEEEEEY 	C42H58N8O20	994.3768	NA	PeJP	NA	NA
+PJ122192	SSSNNNNQM 	C35H58N14O18S	994.3774	NA	PeJP	NA	NA
+PJ122193	SCDDDERR 	C35H58N14O18S	994.3775	NA	PeJP	NA	NA
+PJ122194	GTTEMMYY 	C43H62N8O15S2	994.3776	NA	PeJP	NA	NA
+PJ122195	PPDEEMMF 	C43H62N8O15S2	994.3777	NA	PeJP	NA	NA
+PJ122196	SSSNNDWW 	C43H54N12O16	994.3781	NA	PeJP	NA	NA
+PJ122197	PCCDDMRR 	C36H62N14O13S3	994.3783	NA	PeJP	NA	NA
+PJ122198	GGGGGPTCCMR 	C36H62N14O13S3	994.3784	NA	PeJP	NA	NA
+PJ122199	AAMMMMFY 	C44H66N8O10S4	994.3785	NA	PeJP	NA	NA
+PJ122200	NNNMMWW 	C44H58N12O11S2	994.379	NA	PeJP	NA	NA
+PJ122201	CEWWWW 	C52H54N10O9S	994.3796	NA	PeJP	NA	NA
+PJ122202	SLEEEEEM 	C39H62N8O20S	994.3802	NA	PeJP	NA	NA
+PJ122203	PVEEEMMM 	C40H66N8O15S3	994.381	NA	PeJP	NA	NA
+PJ122204	GSDDEMRW 	C40H58N12O16S	994.3815	NA	PeJP	NA	NA
+MJ099224	Ferrirubin; *-Deoxy 	C41H64FeN9O16	994.382044	NA	MeJP	NA	NA
+PJ122205	SSDEWWW 	C48H54N10O14	994.3821	NA	PeJP	NA	NA
+PJ122206	GNQMMMHF 	C41H62N12O11S3	994.3823	NA	PeJP	NA	NA
+PJ122207	GPCDMMRW 	C41H62N12O11S3	994.3824	NA	PeJP	NA	NA
+PJ122208	GCNNQHHW 	C41H54N16O12S	994.3828	NA	PeJP	NA	NA
+PJ122209	GGGGGGACHHW 	C41H54N16O12S	994.3829	NA	PeJP	NA	NA
+PJ122210	SPCMWWW 	C49H58N10O9S2	994.383	NA	PeJP	NA	NA
+PJ122211	GSSSDEEER 	C36H58N12O21	994.384	NA	PeJP	NA	NA
+PJ122212	SSSSTQMMH 	C37H62N12O16S2	994.3848	NA	PeJP	NA	NA
+PJ122213	GNEEEMMR 	C37H62N12O16S2	994.3849	NA	PeJP	NA	NA
+PJ122214	SNDDDHHR 	C37H54N16O17	994.3853	NA	PeJP	NA	NA
+PJ122215	GGGGGGGSSEHH 	C37H54N16O17	994.3854	NA	PeJP	NA	NA
+PJ122216	SQEEMWW 	C45H58N10O14S	994.3855	NA	PeJP	NA	NA
+PJ122217	GPPTCCMMR 	C38H66N12O11S4	994.3857	NA	PeJP	NA	NA
+PJ122218	DYYYWW 	C53H54N8O12	994.3861	NA	PeJP	NA	NA
+PJ122219	PCCNEHHR 	C38H58N16O12S2	994.3862	NA	PeJP	NA	NA
+PJ122220	PNMMMWW 	C46H62N10O9S3	994.3864	NA	PeJP	NA	NA
+PJ122221	CEHHHFW 	C46H54N14O10S	994.3869	NA	PeJP	NA	NA
+PJ122222	SSTQEEEW 	C41H58N10O19	994.388	NA	PeJP	NA	NA
+PJ122223	SSSCNNNNR 	C34H58N16O17S	994.3887	NA	PeJP	NA	NA
+PJ122224	AAQEEMMW 	C42H62N10O14S2	994.3889	NA	PeJP	NA	NA
+PJ122225	GNNNNNYW 	C42H54N14O15	994.3893	NA	PeJP	NA	NA
+PJ122226	GGGGGNNNYW 	C42H54N14O15	994.3894	NA	PeJP	NA	NA
+PJ122227	PTCYYYW 	C50H58N8O12S	994.3895	NA	PeJP	NA	NA
+PJ122228	GSPCCCNRR 	C35H62N16O12S3	994.3896	NA	PeJP	NA	NA
+PJ122229	PPCCKMMW 	C43H66N10O9S4	994.3898	NA	PeJP	NA	NA
+PJ122230	CCNQRWW 	C43H58N14O10S2	994.3902	NA	PeJP	NA	NA
+PJ122231	SNKEEEEM 	C38H62N10O19S	994.3914	NA	PeJP	NA	NA
+PJ122232	TQEEYYY 	C46H58N8O17	994.392	NA	PeJP	NA	NA
+PJ122233	PTQQEMMM 	C39H66N10O14S3	994.3922	NA	PeJP	NA	NA
+PJ122234	PNDKEMMM 	C39H66N10O14S3	994.3923	NA	PeJP	NA	NA
+PJ122235	SSCNNERW 	C39H58N14O15S	994.3927	NA	PeJP	NA	NA
+PJ122236	GGGGGGGGGGQMF 	C39H58N14O15S	994.3928	NA	PeJP	NA	NA
+PJ122237	TTMMYYW 	C47H62N8O12S2	994.3929	NA	PeJP	NA	NA
+PJ122238	ALMMMMMH 	C40H70N10O9S5	994.3931	NA	PeJP	NA	NA
+PJ122239	NNNDFWW 	C47H54N12O13	994.3934	NA	PeJP	NA	NA
+PJ122240	GCNMMHFR 	C40H62N14O10S3	994.3936	NA	PeJP	NA	NA
+PJ122241	STCHHHHH 	C40H54N18O11S	994.3941	NA	PeJP	NA	NA
+PJ122242	SSSSNNDER 	C35H58N14O20	994.3952	NA	PeJP	NA	NA
+PJ122243	STTTEMYY 	C43H62N8O17S	994.3954	NA	PeJP	NA	NA
+PJ122244	GDDDMMRR 	C36H62N14O15S2	994.3961	NA	PeJP	NA	NA
+PJ122245	KEMMMYY 	C44H66N8O12S3	994.3963	NA	PeJP	NA	NA
+PJ122246	SDDMRWW 	C44H58N12O13S	994.3967	NA	PeJP	NA	NA
+PJ122247	GGGGGSTMWW 	C44H58N12O13S	994.3968	NA	PeJP	NA	NA
+PJ122248	SCCKMMHR 	C37H66N14O10S4	994.397	NA	PeJP	NA	NA
+PJ122249	VVEEEEMM 	C40H66N8O17S2	994.3988	NA	PeJP	NA	NA
+PJ122250	SSSDEERW 	C40H58N12O18	994.3992	NA	PeJP	NA	NA
+PJ122251	GGGGGSSTTEW 	C40H58N12O18	994.3993	NA	PeJP	NA	NA
+PJ122252	NEEMMRW 	C41H62N12O13S2	994.4001	NA	PeJP	NA	NA
+PJ122253	SSNNNHHW 	C41H54N16O14	994.4006	NA	PeJP	NA	NA
+PJ122254	GTEMWWW 	C49H58N10O11S	994.4008	NA	PeJP	NA	NA
+PJ122255	GPCCHHRW 	C42H58N16O9S2	994.4015	NA	PeJP	NA	NA
+PJ122256	SSQEEEMR 	C37H62N12O18S	994.4026	NA	PeJP	NA	NA
+PJ122257	GSSQQYYY 	C45H58N10O16	994.4032	NA	PeJP	NA	NA
+PJ122258	GSTTEEWW 	C45H58N10O16	994.4033	NA	PeJP	NA	NA
+PJ122259	SPNEMMMR 	C38H66N12O13S3	994.4035	NA	PeJP	NA	NA
+PJ122260	CNNNNNFR 	C38H58N16O14S	994.4039	NA	PeJP	NA	NA
+PJ122261	GGCNNNNFR 	C38H58N16O14S	994.404	NA	PeJP	NA	NA
+PJ122262	VNEMMWW 	C46H62N10O11S2	994.4041	NA	PeJP	NA	NA
+PJ122263	GGAPPPCCFF 	C46H62N10O11S2	994.4042	NA	PeJP	NA	NA
+PJ122264	SNEHHWW 	C46H54N14O12	994.4046	NA	PeJP	NA	NA
+PJ122265	MFYYWW 	C54H58N8O9S	994.4048	NA	PeJP	NA	NA
+PJ122266	GSKEEEMW 	C42H62N10O16S	994.4066	NA	PeJP	NA	NA
+PJ122267	GGGGPVEEMY 	C42H62N10O16S	994.4067	NA	PeJP	NA	NA
+PJ122268	ATEYYYW 	C50H58N8O14	994.4073	NA	PeJP	NA	NA
+PJ122269	GGGGGGGSCCKR 	C35H62N16O14S2	994.4074	NA	PeJP	NA	NA
+PJ122270	GPDKMMMW 	C43H66N10O11S3	994.4075	NA	PeJP	NA	NA
+PJ122271	GSSCNRWW 	C43H58N14O12S	994.408	NA	PeJP	NA	NA
+PJ122272	AMMFFYW 	C51H62N8O9S2	994.4082	NA	PeJP	NA	NA
+PJ122273	GSSTKEEEE 	C38H62N10O21	994.4091	NA	PeJP	NA	NA
+PJ122274	AQKEEEMM 	C39H66N10O16S2	994.41	NA	PeJP	NA	NA
+PJ122275	GSSSSNDRW 	C39H58N14O17	994.4105	NA	PeJP	NA	NA
+PJ122276	VQEMYYY 	C47H62N8O14S	994.4106	NA	PeJP	NA	NA
+PJ122277	GGLEMYYY 	C47H62N8O14S	994.4107	NA	PeJP	NA	NA
+PJ122278	TTLMMMMH 	C40H70N10O11S4	994.4109	NA	PeJP	NA	NA
+PJ122279	GSNNMMRW 	C40H62N14O12S2	994.4113	NA	PeJP	NA	NA
+PJ122280	CDEMRRW 	C40H62N14O12S2	994.4114	NA	PeJP	NA	NA
+PJ122281	AAMMMFFF 	C48H66N8O9S3	994.4115	NA	PeJP	NA	NA
+PJ122282	GNQEHHHH 	C40H54N18O13	994.4118	NA	PeJP	NA	NA
+PJ122283	NNMHFFW 	C48H58N12O10S	994.412	NA	PeJP	NA	NA
+PJ122284	SPLEEEEY 	C43H62N8O19	994.4132	NA	PeJP	NA	NA
+PJ122285	GSSSNQEMR 	C36H62N14O17S	994.4138	NA	PeJP	NA	NA
+PJ122286	SSDDEMRR 	C36H62N14O17S	994.4139	NA	PeJP	NA	NA
+PJ122287	SSTLMMYY 	C44H66N8O14S2	994.414	NA	PeJP	NA	NA
+PJ122288	SSSSQQWW 	C44H58N12O15	994.4145	NA	PeJP	NA	NA
+PJ122289	SPCDMMRR 	C37H66N14O12S3	994.4147	NA	PeJP	NA	NA
+PJ122290	GCDDHHRR 	C37H58N18O13S	994.4152	NA	PeJP	NA	NA
+PJ122291	GEMMRWW 	C45H62N12O10S2	994.4154	NA	PeJP	NA	NA
+PJ122292	TMWWWW 	C53H58N10O8S	994.416	NA	PeJP	NA	NA
+PJ122293	GSTEEMRW 	C41H62N12O15S	994.4179	NA	PeJP	NA	NA
+PJ122294	STTEWWW 	C49H58N10O13	994.4185	NA	PeJP	NA	NA
+PJ122295	GSPMMMRW 	C42H66N12O10S3	994.4187	NA	PeJP	NA	NA
+PJ122296	GAPCCCKKW 	C42H66N12O10S3	994.4188	NA	PeJP	NA	NA
+PJ122297	NDMHHRW 	C42H58N16O11S	994.4192	NA	PeJP	NA	NA
+PJ122298	GVMMWWW 	C50H62N10O8S2	994.4194	NA	PeJP	NA	NA
+PJ122299	GSHHWWW 	C50H54N14O9	994.4199	NA	PeJP	NA	NA
+PJ122300	GSSTTEEER 	C37H62N12O20	994.4204	NA	PeJP	NA	NA
+PJ122301	ATQEEMMR 	C38H66N12O15S2	994.4212	NA	PeJP	NA	NA
+PJ122302	GDKEEMMR 	C38H66N12O15S2	994.4213	NA	PeJP	NA	NA
+PJ122303	SNNNNNRY 	C38H58N16O16	994.4217	NA	PeJP	NA	NA
+PJ122304	GGGGGGGGGGAPTH 	C38H58N16O16	994.4218	NA	PeJP	NA	NA
+PJ122305	SKEEMWW 	C46H62N10O13S	994.4219	NA	PeJP	NA	NA
+PJ122306	APQMMMMR 	C39H70N12O10S4	994.4221	NA	PeJP	NA	NA
+PJ122307	GPFYYYW 	C54H58N8O11	994.4225	NA	PeJP	NA	NA
+PJ122308	GSCCQRRW 	C39H62N16O11S2	994.4226	NA	PeJP	NA	NA
+PJ122309	LMMMHFW 	C47H66N10O8S3	994.4228	NA	PeJP	NA	NA
+PJ122310	AQMHHWW 	C47H58N14O9S	994.4232	NA	PeJP	NA	NA
+PJ122311	SSTKEEEW 	C42H62N10O18	994.4244	NA	PeJP	NA	NA
+PJ122312	GSSSCNERR 	C35H62N16O16S	994.4251	NA	PeJP	NA	NA
+PJ122313	AAKEEMMW 	C43H66N10O13S2	994.4253	NA	PeJP	NA	NA
+PJ122314	NNNERYW 	C43H58N14O14	994.4257	NA	PeJP	NA	NA
+PJ122315	GGGGGGERYW 	C43H58N14O14	994.4258	NA	PeJP	NA	NA
+PJ122316	GLMYYYW 	C51H62N8O11S	994.4259	NA	PeJP	NA	NA
+PJ122317	GCNQMMRR 	C36H66N16O11S3	994.426	NA	PeJP	NA	NA
+PJ122318	CCNKRWW 	C44H62N14O9S2	994.4266	NA	PeJP	NA	NA
+PJ122319	NQHHHHW 	C44H54N18O10	994.4271	NA	PeJP	NA	NA
+PJ122320	SDKKEEEM 	C39H66N10O18S	994.4278	NA	PeJP	NA	NA
+MJ099225	Microsclerodermin A 	C47H62N8O16	994.428377	NA	MeJP	NA	NA
+PJ122321	TKEEYYY 	C47H62N8O16	994.4284	NA	PeJP	NA	NA
+PJ122322	PTQKEMMM 	C40H70N10O13S3	994.4286	NA	PeJP	NA	NA
+PJ122323	GGGGLLEMMM 	C40H70N10O13S3	994.4287	NA	PeJP	NA	NA
+PJ122324	SSSNQMRW 	C40H62N14O14S	994.4291	NA	PeJP	NA	NA
+PJ122325	PKMMYYY 	C48H66N8O11S2	994.4293	NA	PeJP	NA	NA
+PJ122326	GQQQYWW 	C48H58N12O12	994.4297	NA	PeJP	NA	NA
+PJ122327	GGAQQYWW 	C48H58N12O12	994.4298	NA	PeJP	NA	NA
+PJ122328	ACCKMHFR 	C41H66N14O9S3	994.43	NA	PeJP	NA	NA
+PJ122329	MMRWWW 	C49H62N12O7S2	994.4306	NA	PeJP	NA	NA
+PJ122330	SSSSSQQER 	C36H62N14O19	994.4316	NA	PeJP	NA	NA
+PJ122331	PVVEEEMY 	C44H66N8O16S	994.4318	NA	PeJP	NA	NA
+PJ122332	GSEEMMRR 	C37H66N14O14S2	994.4325	NA	PeJP	NA	NA
+PJ122333	PPLEMMMF 	C45H70N8O11S3	994.4327	NA	PeJP	NA	NA
+PJ122334	GSSSNNHHR 	C37H58N18O15	994.4329	NA	PeJP	NA	NA
+PJ122335	GGGSSSNHHR 	C37H58N18O15	994.433	NA	PeJP	NA	NA
+PJ122336	STEMRWW 	C45H62N12O12S	994.4331	NA	PeJP	NA	NA
+PJ122337	GGGGGGGLMFW 	C45H62N12O12S	994.4332	NA	PeJP	NA	NA
+PJ122338	APCMMMRR 	C38H70N14O9S4	994.4333	NA	PeJP	NA	NA
+PJ122339	GPTYWWW 	C53H58N10O10	994.4338	NA	PeJP	NA	NA
+PJ122340	ACHHRWW 	C46H58N16O8S	994.4345	NA	PeJP	NA	NA
+PJ122341	TLLEEEMM 	C41H70N8O16S2	994.4352	NA	PeJP	NA	NA
+PJ122342	SSTTEERW 	C41H62N12O17	994.4356	NA	PeJP	NA	NA
+PJ122343	GGGGGGGATLEY 	C41H62N12O17	994.4357	NA	PeJP	NA	NA
+PJ122344	PLLEMMMM 	C42H74N8O11S4	994.436	NA	PeJP	NA	NA
+PJ122345	DKEMMRW 	C42H66N12O12S2	994.4365	NA	PeJP	NA	NA
+PJ122346	GSSEHHRW 	C42H58N16O13	994.437	NA	PeJP	NA	NA
+PJ122347	SSLMWWW 	C50H62N10O10S	994.4371	NA	PeJP	NA	NA
+PJ122348	GGPVMYWW 	C50H62N10O10S	994.4372	NA	PeJP	NA	NA
+PJ122349	FFFYWW 	C58H58N8O8	994.4378	NA	PeJP	NA	NA
+PJ122350	GPHHHHHH 	C43H54N20O9	994.4383	NA	PeJP	NA	NA
+PJ122351	SSKEEEMR 	C38H66N12O17S	994.439	NA	PeJP	NA	NA
+PJ122352	SSSTLEWW 	C46H62N10O15	994.4396	NA	PeJP	NA	NA
+PJ122353	GSPKEEYW 	C46H62N10O15	994.4397	NA	PeJP	NA	NA
+PJ122354	GLQEMMMR 	C39H70N12O12S3	994.4399	NA	PeJP	NA	NA
+PJ122355	SSSCNRRW 	C39H62N16O13S	994.4403	NA	PeJP	NA	NA
+PJ122356	GGGCNEFRR 	C39H62N16O13S	994.4404	NA	PeJP	NA	NA
+PJ122357	VDKMMWW 	C47H66N10O10S2	994.4405	NA	PeJP	NA	NA
+MJ099226	Isohumbertiol, 9,10-Didehydro, O-[?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[(4-hydroxy-3-methoxycinnamoyl(E))-(?4)-?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C49H70O21	994.440959	NA	MeJP	NA	NA
+PJ122358	GNNRYWW 	C47H58N14O11	994.441	NA	PeJP	NA	NA
+PJ122359	AMFFFFW 	C55H62N8O8S	994.4412	NA	PeJP	NA	NA
+PJ122360	SSSSSNDRR 	C35H62N16O18	994.4428	NA	PeJP	NA	NA
+PJ122361	ATTKEEMW 	C43H66N10O15S	994.443	NA	PeJP	NA	NA
+PJ122362	STLYYYW 	C51H62N8O13	994.4437	NA	PeJP	NA	NA
+PJ122363	APTKMMMW 	C44H70N10O10S3	994.4439	NA	PeJP	NA	NA
+PJ122364	CQQQFRW 	C44H62N14O11S	994.4443	NA	PeJP	NA	NA
+PJ122365	PCDRRYW 	C44H62N14O11S	994.4444	NA	PeJP	NA	NA
+PJ122366	DFRWWW 	C52H58N12O9	994.445	NA	PeJP	NA	NA
+PJ122367	SSSSLKEEE 	C39H66N10O20	994.4455	NA	PeJP	NA	NA
+PJ122368	AKKEEEMM 	C40H70N10O15S2	994.4464	NA	PeJP	NA	NA
+PJ122369	ASSSSSQRW 	C40H62N14O16	994.4468	NA	PeJP	NA	NA
+PJ122370	GSSSSTQRW 	C40H62N14O16	994.4469	NA	PeJP	NA	NA
+PJ122371	VKEMYYY 	C48H66N8O13S	994.447	NA	PeJP	NA	NA
+PJ122372	PPVEEMFF 	C48H66N8O13S	994.4471	NA	PeJP	NA	NA
+PJ122373	PVQKMMMM 	C41H74N10O10S4	994.4473	NA	PeJP	NA	NA
+PJ122374	SEMMRRW 	C41H66N14O11S2	994.4477	NA	PeJP	NA	NA
+PJ122375	GGGAPCCKFR 	C41H66N14O11S2	994.4478	NA	PeJP	NA	NA
+PJ122376	GNNNHHFR 	C41H58N18O12	994.4482	NA	PeJP	NA	NA
+PJ122377	GPMRYWW 	C49H62N12O9S	994.4484	NA	PeJP	NA	NA
+PJ122378	ALLEEEEY 	C44H66N8O18	994.4496	NA	PeJP	NA	NA
+PJ122379	SSTEEMRR 	C37H66N14O16S	994.4502	NA	PeJP	NA	NA
+PJ122380	GGGGGGSSTCKK 	C37H66N14O16S	994.4503	NA	PeJP	NA	NA
+PJ122381	PVLEEMMF 	C45H70N8O13S2	994.4504	NA	PeJP	NA	NA
+PJ122382	SSSSQKWW 	C45H62N12O14	994.4509	NA	PeJP	NA	NA
+PJ122383	AAEMMMRR 	C38H70N14O11S3	994.4511	NA	PeJP	NA	NA
+PJ122384	GSDMHHRR 	C38H62N18O12S	994.4516	NA	PeJP	NA	NA
+PJ122385	SVMMRWW 	C46H66N12O9S2	994.4518	NA	PeJP	NA	NA
+PJ122386	SSHHRWW 	C46H58N16O10	994.4522	NA	PeJP	NA	NA
+PJ122387	VLLEEMMM 	C42H74N8O13S3	994.4538	NA	PeJP	NA	NA
+PJ122388	SSSLEMRW 	C42H66N12O14S	994.4542	NA	PeJP	NA	NA
+PJ122389	SSVTEMRW 	C42H66N12O14S	994.4543	NA	PeJP	NA	NA
+PJ122390	SPKEYWW 	C50H62N10O12	994.4549	NA	PeJP	NA	NA
+PJ122391	GGSTCCRRR 	C35H66N18O12S2	994.455	NA	PeJP	NA	NA
+PJ122392	LQMMMRW 	C43H70N12O9S3	994.4551	NA	PeJP	NA	NA
+PJ122393	CNNFRRW 	C43H62N16O10S	994.4556	NA	PeJP	NA	NA
+PJ122394	ASTTTTEER 	C38H66N12O19	994.4567	NA	PeJP	NA	NA
+PJ122395	SSSSTLEER 	C38H66N12O19	994.4568	NA	PeJP	NA	NA
+PJ122396	ATKEEMMR 	C39H70N12O14S2	994.4576	NA	PeJP	NA	NA
+PJ122397	DDDRRRY 	C39H62N16O15	994.4581	NA	PeJP	NA	NA
+PJ122398	GTTTLMWW 	C47H66N10O12S	994.4583	NA	PeJP	NA	NA
+HMDB10038	PIP2(16:0/18:2(9Z,12Z))	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10054	PIP2(16:1(9Z)/18:1(11Z))	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10055	PIP2(16:1(9Z)/18:1(9Z))	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10057	PIP2(16:2(9Z,12Z)/18:0)	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10061	PIP2(18:0/16:2(9Z,12Z))	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10073	PIP2(18:1(11Z)/16:1(9Z))	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10086	PIP2(18:1(9Z)/16:1(9Z))	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+HMDB10098	PIP2(18:2(9Z,12Z)/16:0)	C43H81O19P3	994.458496	NA	HMDB2010	NA	NA
+PJ122399	APKMMMMR 	C40H74N12O9S4	994.4585	NA	PeJP	NA	NA
+PJ122400	GLFFYYW 	C55H62N8O10	994.4589	NA	PeJP	NA	NA
+PJ122401	GSCCKRRW 	C40H66N16O10S2	994.459	NA	PeJP	NA	NA
+PJ122402	GSQHHHHR 	C40H58N20O11	994.4594	NA	PeJP	NA	NA
+PJ122403	GGGTHHHHR 	C40H58N20O11	994.4595	NA	PeJP	NA	NA
+PJ122404	AKMHHWW 	C48H62N14O8S	994.4596	NA	PeJP	NA	NA
+PJ122405	TTTTKEEW 	C43H66N10O17	994.4608	NA	PeJP	NA	NA
+PJ122406	GSSSSQMRR 	C36H66N16O15S	994.4615	NA	PeJP	NA	NA
+PJ122407	PTTTKMMW 	C44H70N10O12S2	994.4616	NA	PeJP	NA	NA
+PJ122408	GTLKEMMW 	C44H70N10O12S2	994.4617	NA	PeJP	NA	NA
+PJ122409	GEERRYW 	C44H62N14O13	994.4621	NA	PeJP	NA	NA
+PJ122410	GGGGGGGPPVHF 	C44H62N14O13	994.4622	NA	PeJP	NA	NA
+PJ122411	PKMFFYY 	C52H66N8O10S	994.4623	NA	PeJP	NA	NA
+PJ122412	PCMFRRW 	C45H66N14O8S2	994.463	NA	PeJP	NA	NA
+PJ122413	NKHHHHW 	C45H58N18O9	994.4635	NA	PeJP	NA	NA
+PJ122414	GSTTLKEEM 	C40H70N10O17S	994.4641	NA	PeJP	NA	NA
+PJ122415	TTKKEEEM 	C40H70N10O17S	994.4642	NA	PeJP	NA	NA
+PJ122416	SSSLLYYY 	C48H66N8O15	994.4648	NA	PeJP	NA	NA
+PJ122417	PTKKEMMM 	C41H74N10O12S3	994.465	NA	PeJP	NA	NA
+PJ122418	SSSNKMRW 	C41H66N14O13S	994.4655	NA	PeJP	NA	NA
+PJ122419	LKMMFYY 	C49H70N8O10S2	994.4657	NA	PeJP	NA	NA
+PJ122420	GVERYWW 	C49H62N12O11	994.4661	NA	PeJP	NA	NA
+PJ122421	GAPLEHWW 	C49H62N12O11	994.4662	NA	PeJP	NA	NA
+PJ122422	CLMMRRW 	C42H70N14O8S3	994.4664	NA	PeJP	NA	NA
+PJ122423	TCHHRRW 	C42H62N18O9S	994.4668	NA	PeJP	NA	NA
+PJ122424	SSSSSQKER 	C37H66N14O18	994.468	NA	PeJP	NA	NA
+PJ122425	PTLLEEMY 	C45H70N8O15S	994.4682	NA	PeJP	NA	NA
+PJ122426	ATTEMMRR 	C38H70N14O13S2	994.4689	NA	PeJP	NA	NA
+PJ122427	PPLLMMMY 	C46H74N8O10S3	994.469	NA	PeJP	NA	NA
+PJ122428	SSSEHHRR 	C38H62N18O14	994.4693	NA	PeJP	NA	NA
+PJ122429	GGGGSPDHRR 	C38H62N18O14	994.4694	NA	PeJP	NA	NA
+PJ122430	GSTCKKWW 	C46H66N12O11S	994.4695	NA	PeJP	NA	NA
+PJ122431	AALYWWW 	C54H62N10O9	994.4702	NA	PeJP	NA	NA
+PJ122432	TTTTTERW 	C42H66N12O16	994.472	NA	PeJP	NA	NA
+PJ122433	GSSSSCRRR 	C35H66N18O14S	994.4727	NA	PeJP	NA	NA
+PJ122434	GTTLMMRW 	C43H70N12O11S2	994.4729	NA	PeJP	NA	NA
+PJ122435	SNNRRYW 	C43H62N16O12	994.4733	NA	PeJP	NA	NA
+PJ122436	GGSNRRYW 	C43H62N16O12	994.4734	NA	PeJP	NA	NA
+PJ122437	PCLKYWW 	C51H66N10O9S	994.4735	NA	PeJP	NA	NA
+PJ122438	ACCCKRRR 	C36H70N18O9S3	994.4736	NA	PeJP	NA	NA
+PJ122439	TTTKEEMR 	C39H70N12O16S	994.4754	NA	PeJP	NA	NA
+MJ099227	Oscillacyclin 	C47H66N10O14	994.475996	NA	MeJP	NA	NA
+PJ122440	STTTTLWW 	C47H66N10O14	994.476	NA	PeJP	NA	NA
+PJ122441	AAPPPVEEW 	C47H66N10O14	994.4761	NA	PeJP	NA	NA
+PJ122442	AQQKKMMM 	C40H74N12O11S3	994.4762	NA	PeJP	NA	NA
+PJ122443	GLKEMMMR 	C40H74N12O11S3	994.4763	NA	PeJP	NA	NA
+PJ122444	NQQMRRY 	C40H66N16O12S	994.4767	NA	PeJP	NA	NA
+PJ122445	GGGGGGPLMHR 	C40H66N16O12S	994.4768	NA	PeJP	NA	NA
+PJ122446	TLKMMWW 	C48H70N10O9S2	994.4769	NA	PeJP	NA	NA
+PJ122447	ERRYWW 	C48H62N14O10	994.4774	NA	PeJP	NA	NA
+PJ122448	SSSSSTQRR 	C36H66N16O17	994.4792	NA	PeJP	NA	NA
+PJ122449	STTLKEMW 	C44H70N10O14S	994.4794	NA	PeJP	NA	NA
+PJ122450	PVKYYYY 	C52H66N8O12	994.48	NA	PeJP	NA	NA
+PJ122451	GGLLFYYY 	C52H66N8O12	994.4801	NA	PeJP	NA	NA
+PJ122452	GVLKMMMW 	C45H74N10O9S3	994.4803	NA	PeJP	NA	NA
+PJ122453	GNNNQHRR 	C37H62N20O13	994.4806	NA	PeJP	NA	NA
+PJ122454	SPMRRYW 	C45H66N14O10S	994.4807	NA	PeJP	NA	NA
+PJ122455	VCEFRRW 	C45H66N14O10S	994.4808	NA	PeJP	NA	NA
+PJ122456	VRYWWW 	C53H62N12O8	994.4814	NA	PeJP	NA	NA
+PJ122457	SSTTTLKEE 	C40H70N10O19	994.4819	NA	PeJP	NA	NA
+PJ122458	SLKKEEMM 	C41H74N10O14S2	994.4828	NA	PeJP	NA	NA
+PJ122459	GSSSSTKRW 	C41H66N14O15	994.4832	NA	PeJP	NA	NA
+PJ122460	DKEERRY 	C41H66N14O15	994.4833	NA	PeJP	NA	NA
+PJ122461	PPVLEMFY 	C49H70N8O12S	994.4834	NA	PeJP	NA	NA
+PJ122462	PVKKMMMM 	C42H78N10O9S4	994.4837	NA	PeJP	NA	NA
+PJ122463	GSCKKMRW 	C42H70N14O10S2	994.4841	NA	PeJP	NA	NA
+PJ122464	NEHHFRR 	C42H62N18O11	994.4846	NA	PeJP	NA	NA
+PJ122465	GLMFRWW 	C50H66N12O8S	994.4848	NA	PeJP	NA	NA
+PJ122466	SLLLEEEY 	C45H70N8O17	994.4859	NA	PeJP	NA	NA
+PJ122467	TTTTEMRR 	C38H70N14O15S	994.4866	NA	PeJP	NA	NA
+PJ122468	PVLLEMMY 	C46H74N8O12S2	994.4868	NA	PeJP	NA	NA
+PJ122469	SSSSKKWW 	C46H66N12O13	994.4873	NA	PeJP	NA	NA
+PJ122470	GTLMMMRR 	C39H74N14O10S3	994.4875	NA	PeJP	NA	NA
+PJ122471	CNQRRRY 	C39H66N18O11S	994.488	NA	PeJP	NA	NA
+PJ122472	PKMMFRW 	C47H70N12O8S2	994.4881	NA	PeJP	NA	NA
+PJ122473	VNHHFRW 	C47H62N16O9	994.4886	NA	PeJP	NA	NA
+PJ122474	STTTLMRW 	C43H70N12O13S	994.4906	NA	PeJP	NA	NA
+PJ122475	AAAALEMRY 	C43H70N12O13S	994.4907	NA	PeJP	NA	NA
+PJ122476	ALKEYWW 	C51H66N10O11	994.4913	NA	PeJP	NA	NA
+PJ122477	LKMMMRW 	C44H74N12O8S3	994.4915	NA	PeJP	NA	NA
+PJ122478	TKMHHRW 	C44H66N16O9S	994.492	NA	PeJP	NA	NA
+PJ122479	SSTTTTLER 	C39H70N12O18	994.4931	NA	PeJP	NA	NA
+PJ122480	STLKEMMR 	C40H74N12O13S2	994.494	NA	PeJP	NA	NA
+PJ122481	SEERRRY 	C40H66N16O14	994.4945	NA	PeJP	NA	NA
+PJ122482	GPTLKMYW 	C48H70N10O11S	994.4947	NA	PeJP	NA	NA
+PJ122483	PKFFFFY 	C56H66N8O9	994.4953	NA	PeJP	NA	NA
+PJ122484	APPMMHRR 	C41H70N16O9S2	994.4954	NA	PeJP	NA	NA
+PJ122485	GSKHHHHR 	C41H62N20O10	994.4958	NA	PeJP	NA	NA
+PJ122486	SSSTTTLLW 	C44H70N10O16	994.4972	NA	PeJP	NA	NA
+PJ122487	GSSTTCKRR 	C37H70N16O14S	994.4978	NA	PeJP	NA	NA
+PJ122488	GSSSSKMRR 	C37H70N16O14S	994.4979	NA	PeJP	NA	NA
+PJ122489	SSLLKMMW 	C45H74N10O11S2	994.498	NA	PeJP	NA	NA
+PJ122490	GGGGLLLMMF 	C45H74N10O11S2	994.4981	NA	PeJP	NA	NA
+PJ122491	SVERRYW 	C45H66N14O12	994.4985	NA	PeJP	NA	NA
+PJ122492	LKMFFFY 	C53H70N8O9S	994.4987	NA	PeJP	NA	NA
+PJ122493	GPCNHRRR 	C38H66N20O10S	994.4992	NA	PeJP	NA	NA
+PJ122494	GHHFRRW 	C46H62N18O8	994.4999	NA	PeJP	NA	NA
+PJ122495	SSSTLLKEM 	C41H74N10O16S	994.5005	NA	PeJP	NA	NA
+PJ122496	PPTLLEYY 	C49H70N8O14	994.5012	NA	PeJP	NA	NA
+PJ122497	VVKKEMMM 	C42H78N10O11S3	994.5014	NA	PeJP	NA	NA
+PJ122498	SSTCKKRW 	C42H70N14O12S	994.5019	NA	PeJP	NA	NA
+PJ122499	PPLLMMFF 	C50H74N8O9S2	994.5021	NA	PeJP	NA	NA
+PJ122500	ATLRYWW 	C50H66N12O10	994.5025	NA	PeJP	NA	NA
+PJ122501	SSSSSKKER 	C38H70N14O17	994.5044	NA	PeJP	NA	NA
+PJ122502	VVLLEEMY 	C46H74N8O14S	994.5046	NA	PeJP	NA	NA
+PJ122503	STTLMMRR 	C39H74N14O12S2	994.5052	NA	PeJP	NA	NA
+PJ122504	GGSTKKMMR 	C39H74N14O12S2	994.5053	NA	PeJP	NA	NA
+PJ122505	PLLLMMMF 	C47H78N8O9S3	994.5054	NA	PeJP	NA	NA
+PJ122506	GSSNRRRY 	C39H66N18O13	994.5057	NA	PeJP	NA	NA
+PJ122507	GGGGGGGAPPRR 	C39H66N18O13	994.5058	NA	PeJP	NA	NA
+PJ122508	VLQMRYW 	C47H70N12O10S	994.5059	NA	PeJP	NA	NA
+PJ122509	VLHFFFW 	C55H66N10O8	994.5065	NA	PeJP	NA	NA
+PJ122510	KMMHHRR 	C40H70N18O8S2	994.5066	NA	PeJP	NA	NA
+PJ122511	GSSTTTKKW 	C43H70N12O15	994.5084	NA	PeJP	NA	NA
+PJ122512	LLLLMMMM 	C44H82N8O9S4	994.5088	NA	PeJP	NA	NA
+PJ122513	GSKKKMMW 	C44H74N12O10S2	994.5093	NA	PeJP	NA	NA
+PJ122514	GSPQKHRW 	C44H66N16O11	994.5097	NA	PeJP	NA	NA
+PJ122515	AAAAVNHRW 	C44H66N16O11	994.5098	NA	PeJP	NA	NA
+PJ122516	VVKMFWW 	C52H70N10O8S	994.5099	NA	PeJP	NA	NA
+PJ122517	SSSTTLLMR 	C40H74N12O15S	994.5118	NA	PeJP	NA	NA
+PJ122518	LKKEEYW 	C48H70N10O13	994.5124	NA	PeJP	NA	NA
+PJ122519	SVLKMMMR 	C41H78N12O10S3	994.5126	NA	PeJP	NA	NA
+PJ122520	GGCLKKKMM 	C41H78N12O10S3	994.5127	NA	PeJP	NA	NA
+PJ122521	VDMRRRY 	C41H70N16O11S	994.5131	NA	PeJP	NA	NA
+PJ122522	PTLHRWW 	C49H66N14O9	994.5138	NA	PeJP	NA	NA
+PJ122523	SSSSSTKRR 	C37H70N16O16	994.5156	NA	PeJP	NA	NA
+PJ122524	SPLKKEMY 	C45H74N10O13S	994.5158	NA	PeJP	NA	NA
+PJ122525	VLKFYYY 	C53H70N8O11	994.5164	NA	PeJP	NA	NA
+PJ122526	SSCKKMRR 	C38H74N16O11S2	994.5165	NA	PeJP	NA	NA
+PJ122527	NQEHRRR 	C38H66N20O12	994.517	NA	PeJP	NA	NA
+PJ122528	ALMRRYW 	C46H70N14O9S	994.5171	NA	PeJP	NA	NA
+PJ122529	TTTTTTLKE 	C41H74N10O18	994.5183	NA	PeJP	NA	NA
+PJ122530	GTTTLLKMM 	C42H78N10O13S2	994.5192	NA	PeJP	NA	NA
+PJ122531	GTTLERRY 	C42H70N14O14	994.5196	NA	PeJP	NA	NA
+PJ122532	GGGGGGSKKKY 	C42H70N14O14	994.5197	NA	PeJP	NA	NA
+PJ122533	PPVLLMYY 	C50H74N8O11S	994.5198	NA	PeJP	NA	NA
+PJ122534	AALMMFRR 	C43H74N14O9S2	994.5205	NA	PeJP	NA	NA
+PJ122535	VNQHRRW 	C43H66N18O10	994.521	NA	PeJP	NA	NA
+PJ122536	GSSTTKKMR 	C39H74N14O14S	994.523	NA	PeJP	NA	NA
+PJ122537	VLLLEMMF 	C47H78N8O11S2	994.5232	NA	PeJP	NA	NA
+PJ122538	NKKKEYW 	C47H70N12O12	994.5236	NA	PeJP	NA	NA
+PJ122539	TLKERYW 	C47H70N12O12	994.5237	NA	PeJP	NA	NA
+PJ122540	ACKKKMMR 	C40H78N14O9S3	994.5239	NA	PeJP	NA	NA
+PJ122541	CNKRRRY 	C40H70N18O10S	994.5243	NA	PeJP	NA	NA
+PJ122542	GGCKRRRY 	C40H70N18O10S	994.5244	NA	PeJP	NA	NA
+PJ122543	PPHFRRW 	C48H66N16O8	994.525	NA	PeJP	NA	NA
+PJ122544	SSTKKKMW 	C44H74N12O12S	994.527	NA	PeJP	NA	NA
+PJ122545	GGGAAPPPLKM 	C44H74N12O12S	994.5271	NA	PeJP	NA	NA
+PJ122546	SLLKYWW 	C52H70N10O10	994.5277	NA	PeJP	NA	NA
+MJ099228	Calyculin A; N-De-Me 	C49H79N4O15P	994.527954	NA	MeJP	NA	NA
+PJ122547	PLMHRRW 	C45H70N16O8S	994.5284	NA	PeJP	NA	NA
+PJ122548	TTTTTTTLR 	C40H74N12O17	994.5295	NA	PeJP	NA	NA
+PJ122549	SDKKKKMM 	C41H78N12O12S2	994.5304	NA	PeJP	NA	NA
+PJ122550	GSTQKRRY 	C41H70N16O13	994.5309	NA	PeJP	NA	NA
+PJ122551	AALLKMYW 	C49H74N10O10S	994.5311	NA	PeJP	NA	NA
+PJ122552	VMMFRRR 	C42H74N16O8S2	994.5317	NA	PeJP	NA	NA
+PJ122553	GQHRRRW 	C42H66N20O9	994.5322	NA	PeJP	NA	NA
+PJ122554	SVLKKEEY 	C45H74N10O15	994.5335	NA	PeJP	NA	NA
+PJ122555	SLLDKKEY 	C45H74N10O15	994.5336	NA	PeJP	NA	NA
+PJ122556	PVVKKMMY 	C46H78N10O10S2	994.5344	NA	PeJP	NA	NA
+MJ099229	Pregnane-3,8,12,14,17,20-hexol, 3-O-[?-D-Glucopyranosyl-(1?4)-6-deoxy-3-methyl-?-D-allopyranosyl-(1?4)-?-D-oleandropyranosyl-(1?4)-?-D-cymaropyranoside] 	C48H82O21	994.534859	NA	MeJP	NA	NA
+PJ122557	TTLRRYW 	C46H70N14O11	994.5349	NA	PeJP	NA	NA
+PJ122558	STTTTLLKM 	C42H78N10O15S	994.5369	NA	PeJP	NA	NA
+PJ122559	PVVLLEYY 	C50H74N8O13	994.5376	NA	PeJP	NA	NA
+PJ122560	TLLKKMMM 	C43H82N10O10S3	994.5378	NA	PeJP	NA	NA
+PJ122561	LKEMRRY 	C43H74N14O11S	994.5383	NA	PeJP	NA	NA
+PJ122562	GKKKYWW 	C51H70N12O9	994.5389	NA	PeJP	NA	NA
+PJ122563	SSSTTTKKR 	C39H74N14O16	994.5408	NA	PeJP	NA	NA
+PJ122564	TLLLLEMY 	C47H78N8O13S	994.5409	NA	PeJP	NA	NA
+PJ122565	SSKKKMMR 	C40H78N14O11S2	994.5416	NA	PeJP	NA	NA
+PJ122566	LEEHRRR 	C40H70N18O12	994.5421	NA	PeJP	NA	NA
+PJ122567	VLKMRYW 	C48H74N12O9S	994.5423	NA	PeJP	NA	NA
+PJ122568	PHHHRRR 	C41H66N22O8	994.5435	NA	PeJP	NA	NA
+PJ122569	SSLLKERY 	C44H74N12O14	994.5448	NA	PeJP	NA	NA
+PJ122570	GLLKMMFR 	C45H78N12O9S2	994.5457	NA	PeJP	NA	NA
+PJ122571	VLEHRRW 	C45H70N16O10	994.5461	NA	PeJP	NA	NA
+PJ122572	ASTTTKKKM 	C41H78N12O14S	994.5481	NA	PeJP	NA	NA
+PJ122573	SSSSLKKKM 	C41H78N12O14S	994.5482	NA	PeJP	NA	NA
+MJ099230	Cyanoginosin; Cyanoginosin LR 	C49H74N10O12	994.548767	NA	MeJP	NA	NA
+C05371	Microcystin-LR	C49H74N10O12	994.5488	NA	KEGG	NA	NA
+PJ122574	ATTLLKYW 	C49H74N10O12	994.5488	NA	PeJP	NA	NA
+PJ122575	AKKKKMMM 	C42H82N12O9S3	994.549	NA	PeJP	NA	NA
+PJ122576	TLMRRRY 	C42H74N16O10S	994.5495	NA	PeJP	NA	NA
+MJ099231	Pregn-5-ene-3,8,12,14,17,20-hexol, 12-Angeloyl, 20-tigloyl, 3-O-[3-O-methyl-6-deoxy-?-D-allopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-cymaropyranoside] 	C52H82O18	994.550115	NA	MeJP	NA	NA
+PJ122577	VVLHRWW 	C50H70N14O8	994.5502	NA	PeJP	NA	NA
+PJ122578	ALLKKEMY 	C46H78N10O12S	994.5522	NA	PeJP	NA	NA
+PJ122579	PPVLLFFY 	C54H74N8O10	994.5528	NA	PeJP	NA	NA
+PJ122580	NKEHRRR 	C39H70N20O11	994.5533	NA	PeJP	NA	NA
+PJ122581	GGKEHRRR 	C39H70N20O11	994.5534	NA	PeJP	NA	NA
+PJ122582	CKKKFRW 	C47H74N14O8S	994.5535	NA	PeJP	NA	NA
+PJ122583	SSTLLRRY 	C43H74N14O13	994.556	NA	PeJP	NA	NA
+PJ122584	GGGGGGAPPLKK 	C43H74N14O13	994.5561	NA	PeJP	NA	NA
+PJ122585	PVLLLMFY 	C51H78N8O10S	994.5562	NA	PeJP	NA	NA
+PJ122586	PPQRRRW 	C44H70N18O9	994.5574	NA	PeJP	NA	NA
+PJ122587	VLLLLMMY 	C48H82N8O10S2	994.5596	NA	PeJP	NA	NA
+PJ122588	DKKKKYW 	C48H74N12O11	994.56	NA	PeJP	NA	NA
+PJ122589	PPVVLERW 	C48H74N12O11	994.5601	NA	PeJP	NA	NA
+PJ122590	APCKKHRR 	C41H74N18O9S	994.5607	NA	PeJP	NA	NA
+PJ122591	ATLLKMRY 	C45H78N12O11S	994.5634	NA	PeJP	NA	NA
+PJ122592	APPLLLWW 	C53H74N10O9	994.5641	NA	PeJP	NA	NA
+PJ122593	SQHRRRR 	C38H70N22O10	994.5646	NA	PeJP	NA	NA
+PJ122594	STTTTTKKK 	C41H78N12O16	994.5659	NA	PeJP	NA	NA
+PJ122595	TTKKKKMM 	C42H82N12O11S2	994.5668	NA	PeJP	NA	NA
+PJ122596	GSTKKRRY 	C42H74N16O12	994.5673	NA	PeJP	NA	NA
+PJ122597	PVVKKMFF 	C50H78N10O9S	994.5674	NA	PeJP	NA	NA
+PJ122598	GKHRRRW 	C43H70N20O8	994.5686	NA	PeJP	NA	NA
+PJ122599	TTLLKKEY 	C46H78N10O14	994.5699	NA	PeJP	NA	NA
+PJ122600	GPPIILKEE 	C46H78N10O14	994.57	NA	PeJP	NA	NA
+PJ122601	VVLKKMMF 	C47H82N10O9S2	994.5708	NA	PeJP	NA	NA
+PJ122602	SKKKRYW 	C47H74N14O10	994.5713	NA	PeJP	NA	NA
+PJ122603	PTLLLLYY 	C51H78N8O12	994.574	NA	PeJP	NA	NA
+PJ122604	AAKKKMRY 	C44H78N14O10S	994.5746	NA	PeJP	NA	NA
+PJ122605	GCLKKKRY 	C44H78N14O10S	994.5747	NA	PeJP	NA	NA
+PJ122606	LLLKHWW 	C52H74N12O8	994.5753	NA	PeJP	NA	NA
+PJ122607	GPPKERRR 	C41H74N18O11	994.5785	NA	PeJP	NA	NA
+PJ122608	KKKKMFW 	C49H78N12O8S	994.5787	NA	PeJP	NA	NA
+PJ122609	TTTLLKRY 	C45H78N12O13	994.5812	NA	PeJP	NA	NA
+PJ122610	GPPVKRRW 	C46H74N16O9	994.5825	NA	PeJP	NA	NA
+PJ122611	PPLLLKEW 	C50H78N10O11	994.5852	NA	PeJP	NA	NA
+PJ122612	GLLLMHRR 	C43H78N16O9S	994.5859	NA	PeJP	NA	NA
+PJ122613	SLLLKKMY 	C47H82N10O11S	994.5886	NA	PeJP	NA	NA
+PJ122614	PVLLLFFF 	C55H78N8O9	994.5892	NA	PeJP	NA	NA
+PJ122615	GPPTRRRR 	C40H74N20O10	994.5897	NA	PeJP	NA	NA
+PJ122616	ATTKKKRY 	C44H78N14O12	994.5924	NA	PeJP	NA	NA
+PJ122617	VLLLLMFF 	C52H82N8O9S	994.5926	NA	PeJP	NA	NA
+PJ122618	PPKRRRW 	C45H74N18O8	994.5938	NA	PeJP	NA	NA
+PJ122619	PPTLLLRW 	C49H78N12O10	994.5964	NA	PeJP	NA	NA
+PJ122620	GLKKKKMY 	C46H82N12O10S	994.5998	NA	PeJP	NA	NA
+PJ122621	SKHRRRR 	C39H74N22O9	994.601	NA	PeJP	NA	NA
+PJ122622	STLLLHRR 	C43H78N16O11	994.6036	NA	PeJP	NA	NA
+PJ122623	GGGGPLLLRR 	C43H78N16O11	994.6037	NA	PeJP	NA	NA
+PJ122624	SPPVLLLKE 	C47H82N10O13	994.6063	NA	PeJP	NA	NA
+PJ122625	APPLKKRW 	C48H78N14O9	994.6077	NA	PeJP	NA	NA
+PJ122626	VVLLLLYY 	C52H82N8O11	994.6103	NA	PeJP	NA	NA
+PJ122627	PPLLLMRR 	C45H82N14O9S	994.611	NA	PeJP	NA	NA
+PJ122628	SPPVKRRR 	C42H78N18O10	994.6149	NA	PeJP	NA	NA
+PJ122629	STLKKKKY 	C46H82N12O12	994.6176	NA	PeJP	NA	NA
+PJ122630	LKKKHRW 	C47H78N16O8	994.6189	NA	PeJP	NA	NA
+PJ122631	PLLLLLQW 	C51H82N10O10	994.6216	NA	PeJP	NA	NA
+MJ099232	Antibiotic A 130B 	C54H90O16	994.622886	NA	MeJP	NA	NA
+PJ122632	APPLLLLKM 	C48H86N10O10S	994.625	NA	PeJP	NA	NA
+PJ122633	AAPLRRRR 	C41H78N20O9	994.6261	NA	PeJP	NA	NA
+PJ122634	PVLLLERR 	C45H82N14O11	994.6288	NA	PeJP	NA	NA
+PJ122635	PVVLLLRW 	C50H82N12O9	994.6328	NA	PeJP	NA	NA
+PJ122636	LLLLKKMH 	C47H86N12O9S	994.6362	NA	PeJP	NA	NA
+PJ122637	PVRRRRR 	C40H78N22O8	994.6374	NA	PeJP	NA	NA
+PJ122638	PPTLKKRR 	C44H82N16O10	994.64	NA	PeJP	NA	NA
+PJ122639	GPLLLLLKE 	C48H86N10O12	994.6427	NA	PeJP	NA	NA
+MJ099233	Galantin II 	C42H86N14O13	994.649878	NA	MeJP	NA	NA
+PJ122640	GPLLKRRR 	C43H82N18O9	994.6513	NA	PeJP	NA	NA
+PJ122641	ASPLLLLLR 	C47H86N12O11	994.6539	NA	PeJP	NA	NA
+PJ122642	GPTLLLLLR 	C47H86N12O11	994.654	NA	PeJP	NA	NA
+PJ122643	PLLLLLKW 	C52H86N10O9	994.658	NA	PeJP	NA	NA
+PJ122644	PLLLQKKR 	C46H86N14O10	994.6652	NA	PeJP	NA	NA
+PJ122645	PVVLKKRR 	C45H86N16O9	994.6764	NA	PeJP	NA	NA
+MJ099234	Circulocin ? 	C49H90N10O11	994.679053	NA	MeJP	NA	NA
+PJ122646	SPVLLLLLK 	C49H90N10O11	994.6791	NA	PeJP	NA	NA
+PJ122647	AALLLLLLR 	C48H90N12O10	994.6903	NA	PeJP	NA	NA
+HMDB12217	Dodecaprenyl diphosphate	C60H100O7P2	994.694458	NA	HMDB2010	NA	NA
+PJ122648	VLLLLLRR 	C47H90N14O9	994.7016	NA	PeJP	NA	NA
+PJ122649	GLLLLLLLK 	C50H94N10O10	994.7155	NA	PeJP	NA	NA
+8230	Antioxidative peptide	IANNEADAISLDGGQVFEAG	994.9563	MH2+	Inhouse_peptide	NA	peptide
+PJ122650	CCCCCCDDE 	C31H49N9O16S6	995.1622	NA	PeJP	NA	NA
+PJ122651	CCCCCCNNM 	C31H53N11O12S7	995.1921	NA	PeJP	NA	NA
+PJ122652	SCCCCCDEM 	C32H53N9O15S6	995.1986	NA	PeJP	NA	NA
+PJ122653	PCCCCCCMM 	C33H57N9O10S8	995.1995	NA	PeJP	NA	NA
+PJ122654	GSSCCCCCCQ 	C31H53N11O14S6	995.2098	NA	PeJP	NA	NA
+PJ122655	GCCCCDDDY 	C35H49N9O17S4	995.213	NA	PeJP	NA	NA
+PJ122656	PCCCCCCDF 	C36H53N9O12S6	995.2138	NA	PeJP	NA	NA
+PJ122657	GCCCCDMMM 	C33H57N9O12S7	995.2172	NA	PeJP	NA	NA
+PJ122658	SSSSCCCCCN 	C31H53N11O16S5	995.2276	NA	PeJP	NA	NA
+PJ122659	CCCCCCCQK 	C32H57N11O11S7	995.2284	NA	PeJP	NA	NA
+PJ122660	GACCCCCCCK 	C32H57N11O11S7	995.2285	NA	PeJP	NA	NA
+PJ122661	SPCCCCCDY 	C36H53N9O14S5	995.2316	NA	PeJP	NA	NA
+PJ122662	SSCCCCEMM 	C33H57N9O14S6	995.235	NA	PeJP	NA	NA
+PJ122663	GCCCCCMHH 	C34H53N13O10S6	995.2363	NA	PeJP	NA	NA
+PJ122664	GCCCDDDEH 	C34H49N11O18S3	995.242	NA	PeJP	NA	NA
+PJ122665	GCCCCCNQY 	C35H53N11O13S5	995.2428	NA	PeJP	NA	NA
+PJ122666	GSSCCCCCCK 	C32H57N11O13S6	995.2462	NA	PeJP	NA	NA
+PJ122667	CCCCCEFW 	C40H53N9O11S5	995.2469	NA	PeJP	NA	NA
+PJ122668	GDDDDDDDD 	C34H45N9O26	995.2476	NA	PeJP	NA	NA
+PJ122669	ASCCCCDEY 	C36H53N9O16S4	995.2493	NA	PeJP	NA	NA
+PJ122670	GSCCCDDMY 	C36H53N9O16S4	995.2494	NA	PeJP	NA	NA
+PJ122671	APCCCCCMY 	C37H57N9O11S6	995.2502	NA	PeJP	NA	NA
+PJ122672	GSCCCMMMM 	C34H61N9O11S7	995.2536	NA	PeJP	NA	NA
+PJ122673	STCCCCCHH 	C34H53N13O12S5	995.2541	NA	PeJP	NA	NA
+PJ122674	CCCDDDHW 	C38H49N11O15S3	995.2572	NA	PeJP	NA	NA
+PJ122675	SSCCDDDDH 	C34H49N11O20S2	995.2597	NA	PeJP	NA	NA
+PJ122676	SSCCCCNNY 	C35H53N11O15S4	995.2606	NA	PeJP	NA	NA
+PJ122677	PPCCCCCMH 	C36H57N11O10S6	995.2615	NA	PeJP	NA	NA
+PJ122678	SCCCCEYW 	C40H53N9O13S4	995.2646	NA	PeJP	NA	NA
+PJ122679	CCCCCCCKK 	C33H61N11O10S7	995.2648	NA	PeJP	NA	NA
+PJ122680	SPCDDDDDD 	C35H49N9O23S	995.2663	NA	PeJP	NA	NA
+PJ122681	SSSCCCDEY 	C36H53N9O18S3	995.2671	NA	PeJP	NA	NA
+PJ122682	CCCNEMMY 	C37H57N9O13S5	995.268	NA	PeJP	NA	NA
+PJ122683	SSTCCCMMM 	C34H61N9O13S6	995.2713	NA	PeJP	NA	NA
+PJ122684	GCCCNNDMH 	C34H53N13O14S4	995.2718	NA	PeJP	NA	NA
+PJ122685	GCNNDDDDE 	C34H49N11O22S	995.2775	NA	PeJP	NA	NA
+PJ122686	ASCCDDDMH 	C35H53N11O17S3	995.2783	NA	PeJP	NA	NA
+PJ122687	GSCCDDEMH 	C35H53N11O17S3	995.2784	NA	PeJP	NA	NA
+PJ122688	CCCCDMRY 	C36H57N11O12S5	995.2792	NA	PeJP	NA	NA
+PJ122689	CCCNDEFY 	C40H53N9O15S3	995.2824	NA	PeJP	NA	NA
+PJ122690	GCCCMMYW 	C41H57N9O10S5	995.2832	NA	PeJP	NA	NA
+PJ122691	GSDDDDDEE 	C35H49N9O25	995.284	NA	PeJP	NA	NA
+PJ122692	GPCDDDDEM 	C36H53N9O20S2	995.2849	NA	PeJP	NA	NA
+PJ122693	GSSCCDMMY 	C37H57N9O15S4	995.2857	NA	PeJP	NA	NA
+PJ122694	CCCQMMMF 	C38H61N9O10S6	995.2866	NA	PeJP	NA	NA
+PJ122695	CCCCNQHW 	C38H53N13O11S4	995.2871	NA	PeJP	NA	NA
+PJ122696	SSCCCNNEH 	C34H53N13O16S3	995.2896	NA	PeJP	NA	NA
+PJ122697	CNNDDDDW 	C38H49N11O19S	995.2927	NA	PeJP	NA	NA
+PJ122698	GGGGCDDDDW 	C38H49N11O19S	995.2928	NA	PeJP	NA	NA
+PJ122699	SCCDDMHW 	C39H53N11O14S3	995.2936	NA	PeJP	NA	NA
+PJ122700	SSNNDDDDD 	C34H49N11O24	995.2952	NA	PeJP	NA	NA
+PJ122701	GGGGSSDDDDD 	C34H49N11O24	995.2953	NA	PeJP	NA	NA
+PJ122702	SSSCDDDMH 	C35H53N11O19S2	995.2961	NA	PeJP	NA	NA
+PJ122703	CNDDMMMH 	C36H57N11O14S4	995.297	NA	PeJP	NA	NA
+PJ122704	GCCCDFYW 	C44H53N9O12S3	995.2976	NA	PeJP	NA	NA
+PJ122705	CCCCMMFR 	C37H61N11O9S6	995.2978	NA	PeJP	NA	NA
+PJ122706	GPCCCCHHH 	C37H53N15O10S4	995.2983	NA	PeJP	NA	NA
+PJ122707	SDDDDDEW 	C39H49N9O22	995.2993	NA	PeJP	NA	NA
+PJ122708	PCDDDDMW 	C40H53N9O17S2	995.3001	NA	PeJP	NA	NA
+PJ122709	STCCCMYW 	C41H57N9O12S4	995.301	NA	PeJP	NA	NA
+PJ122710	NDDDEEEM 	C36H53N9O22S	995.3026	NA	PeJP	NA	NA
+PJ122711	SSSSCCEMY 	C37H57N9O17S3	995.3035	NA	PeJP	NA	NA
+PJ122712	SCCQMMMY 	C38H61N9O12S5	995.3044	NA	PeJP	NA	NA
+PJ122713	GSSCCCNHW 	C38H53N13O13S3	995.3048	NA	PeJP	NA	NA
+PJ122714	GSSSSCCNDH 	C34H53N13O18S2	995.3073	NA	PeJP	NA	NA
+PJ122715	GGGGGCNNDDM 	C34H53N13O18S2	995.3074	NA	PeJP	NA	NA
+PJ122716	CCCDEMHR 	C35H57N13O13S4	995.3082	NA	PeJP	NA	NA
+PJ122717	GSPCCNDDW 	C39H53N11O16S2	995.3114	NA	PeJP	NA	NA
+PJ122718	GCCEMMHW 	C40H57N11O11S4	995.3122	NA	PeJP	NA	NA
+PJ122719	DDDDDDMR 	C35H53N11O21S	995.3139	NA	PeJP	NA	NA
+PJ122720	GSSCDEMMH 	C36H57N11O16S3	995.3147	NA	PeJP	NA	NA
+PJ122721	GGGGGPCDDMM 	C36H57N11O16S3	995.3148	NA	PeJP	NA	NA
+PJ122722	GSCCDYYW 	C44H53N9O14S2	995.3154	NA	PeJP	NA	NA
+PJ122723	SCCCMMRY 	C37H61N11O11S5	995.3156	NA	PeJP	NA	NA
+PJ122724	CCNDMHHH 	C37H53N15O12S3	995.3161	NA	PeJP	NA	NA
+PJ122725	GCCCMFFW 	C45H57N9O9S4	995.3163	NA	PeJP	NA	NA
+PJ122726	GDDDEEMW 	C40H53N9O19S	995.3179	NA	PeJP	NA	NA
+PJ122727	SCCNNNNNN 	C33H53N15O17S2	995.3186	NA	PeJP	NA	NA
+PJ122728	GCNDMMYY 	C41H57N9O14S3	995.3187	NA	PeJP	NA	NA
+PJ122729	GGGCDMMYY 	C41H57N9O14S3	995.3188	NA	PeJP	NA	NA
+PJ122730	GSCCCCQHR 	C34H57N15O12S4	995.3194	NA	PeJP	NA	NA
+PJ122731	GGGTCCCCHR 	C34H57N15O12S4	995.3195	NA	PeJP	NA	NA
+PJ122732	GSSDDEEEE 	C36H53N9O24	995.3204	NA	PeJP	NA	NA
+PJ122733	GSPDDDEMM 	C37H57N9O19S2	995.3213	NA	PeJP	NA	NA
+PJ122734	NDDDDEHH 	C37H49N13O20	995.3217	NA	PeJP	NA	NA
+PJ122735	GSSSCMMMY 	C38H61N9O14S4	995.3221	NA	PeJP	NA	NA
+PJ122736	CCNNNNEW 	C38H53N13O15S2	995.3226	NA	PeJP	NA	NA
+PJ122737	CCCKMMMF 	C39H65N9O9S6	995.323	NA	PeJP	NA	NA
+PJ122738	CCCCNKHW 	C39H57N13O10S4	995.3235	NA	PeJP	NA	NA
+PJ122739	GSCNDDDDR 	C34H53N13O20S	995.3251	NA	PeJP	NA	NA
+PJ122740	SSSCCNQMH 	C35H57N13O15S3	995.3259	NA	PeJP	NA	NA
+PJ122741	GPCCCNDER 	C35H57N13O15S3	995.326	NA	PeJP	NA	NA
+PJ122742	GCCDEHFW 	C43H53N11O13S2	995.3266	NA	PeJP	NA	NA
+PJ122743	CCMMHWW 	C44H57N11O8S4	995.3275	NA	PeJP	NA	NA
+PJ122744	SNNDDDMW 	C39H53N11O18S	995.3291	NA	PeJP	NA	NA
+PJ122745	SSCDMMHW 	C40H57N11O13S3	995.33	NA	PeJP	NA	NA
+PJ122746	ACCCHHHW 	C41H53N15O9S3	995.3313	NA	PeJP	NA	NA
+PJ122747	SSSNNDDEE 	C35H53N11O23	995.3316	NA	PeJP	NA	NA
+PJ122748	SSSSDDMMH 	C36H57N11O18S2	995.3325	NA	PeJP	NA	NA
+PJ122749	DDDEMWW 	C44H53N9O16S	995.3331	NA	PeJP	NA	NA
+PJ122750	SSPTCCMMH 	C37H61N11O13S4	995.3333	NA	PeJP	NA	NA
+PJ122751	SNDMMMMH 	C37H61N11O13S4	995.3334	NA	PeJP	NA	NA
+PJ122752	GSSCCEHHH 	C37H53N15O14S2	995.3338	NA	PeJP	NA	NA
+PJ122753	GGGGGPCCDHH 	C37H53N15O14S2	995.3339	NA	PeJP	NA	NA
+PJ122754	CCQMYYW 	C45H57N9O11S3	995.334	NA	PeJP	NA	NA
+PJ122755	SSDDEEEW 	C40H53N9O21	995.3356	NA	PeJP	NA	NA
+PJ122756	GGPDDDEEY 	C40H53N9O21	995.3357	NA	PeJP	NA	NA
+PJ122757	SPDDDMMW 	C41H57N9O16S2	995.3365	NA	PeJP	NA	NA
+PJ122758	GDDDDHHW 	C41H49N13O17	995.337	NA	PeJP	NA	NA
+PJ122759	SSSCCCNHR 	C34H57N15O14S3	995.3372	NA	PeJP	NA	NA
+PJ122760	PPCCEMMW 	C42H61N9O11S4	995.3374	NA	PeJP	NA	NA
+PJ122761	GCCNNNWW 	C42H53N13O12S2	995.3378	NA	PeJP	NA	NA
+PJ122762	GGGCCNNWW 	C42H53N13O12S2	995.3379	NA	PeJP	NA	NA
+PJ122763	SNEEEEEM 	C37H57N9O21S	995.339	NA	PeJP	NA	NA
+PJ122764	DDEEYYY 	C45H53N7O19	995.3396	NA	PeJP	NA	NA
+PJ122765	SSSSTCMMY 	C38H61N9O16S3	995.3399	NA	PeJP	NA	NA
+PJ122766	GSSCNNNDW 	C38H53N13O17S	995.3403	NA	PeJP	NA	NA
+PJ122767	GGGSSCNNDW 	C38H53N13O17S	995.3404	NA	PeJP	NA	NA
+PJ122768	SCCKMMMY 	C39H65N9O11S5	995.3407	NA	PeJP	NA	NA
+PJ122769	PCCCNDRW 	C39H57N13O12S3	995.3412	NA	PeJP	NA	NA
+PJ122770	CCDHFWW 	C47H53N11O10S2	995.3419	NA	PeJP	NA	NA
+PJ122771	GSSSSNNNDD 	C34H53N13O22	995.3428	NA	PeJP	NA	NA
+PJ122772	GGGSSSSNNDD 	C34H53N13O22	995.3429	NA	PeJP	NA	NA
+PJ122773	CNNDDEMR 	C35H57N13O17S2	995.3437	NA	PeJP	NA	NA
+PJ122774	GGGGGGGGGSDMM 	C35H57N13O17S2	995.3438	NA	PeJP	NA	NA
+PJ122775	EEMMMYY 	C43H61N7O14S3	995.3439	NA	PeJP	NA	NA
+PJ122776	GSCNDEWW 	C43H53N11O15S	995.3444	NA	PeJP	NA	NA
+PJ122777	SCCEMMHR 	C36H61N13O12S4	995.3446	NA	PeJP	NA	NA
+PJ122778	GPCCNMWW 	C44H57N11O10S3	995.3452	NA	PeJP	NA	NA
+PJ122779	GGGPCCMWW 	C44H57N11O10S3	995.3453	NA	PeJP	NA	NA
+PJ122780	GSSSNDDEW 	C39H53N11O20	995.3469	NA	PeJP	NA	NA
+PJ122781	GNNDEMMW 	C40H57N11O15S2	995.3477	NA	PeJP	NA	NA
+PJ122782	GGGNDEMMW 	C40H57N11O15S2	995.3478	NA	PeJP	NA	NA
+PJ122783	GTCMMMHW 	C41H61N11O10S4	995.3486	NA	PeJP	NA	NA
+PJ122784	SSCCHHHW 	C41H53N15O11S2	995.3491	NA	PeJP	NA	NA
+PJ122785	GSSNNEEEM 	C36H57N11O20S	995.3502	NA	PeJP	NA	NA
+PJ122786	SDDDEEMR 	C36H57N11O20S	995.3503	NA	PeJP	NA	NA
+PJ122787	GPDDDEYW 	C44H53N9O18	995.3509	NA	PeJP	NA	NA
+PJ122788	PCDDEMMR 	C37H61N11O15S3	995.3511	NA	PeJP	NA	NA
+PJ122789	SSSSCDHHH 	C37H53N15O16S	995.3516	NA	PeJP	NA	NA
+PJ122790	GSSCMYYW 	C45H57N9O13S2	995.3518	NA	PeJP	NA	NA
+PJ122791	GQMMMMMH 	C38H65N11O10S5	995.352	NA	PeJP	NA	NA
+PJ122792	CCCNNHFR 	C38H57N15O11S3	995.3525	NA	PeJP	NA	NA
+PJ122793	ASSSSCEYY 	C41H57N9O18S	995.3542	NA	PeJP	NA	NA
+PJ122794	GSEEEEMW 	C41H57N9O18S	995.3543	NA	PeJP	NA	NA
+PJ122795	CCNDDDRR 	C34H57N15O16S2	995.355	NA	PeJP	NA	NA
+PJ122796	GPDEMMMW 	C42H61N9O13S3	995.3551	NA	PeJP	NA	NA
+PJ122797	SPCDDHHW 	C42H53N13O14S	995.3556	NA	PeJP	NA	NA
+PJ122798	GSCCCCKHR 	C35H61N15O11S4	995.3558	NA	PeJP	NA	NA
+PJ122799	GSSTEEEEE 	C37H57N9O23	995.3568	NA	PeJP	NA	NA
+PJ122800	AQEEEEMM 	C38H61N9O18S2	995.3576	NA	PeJP	NA	NA
+PJ122801	GAAEEEEMM 	C38H61N9O18S2	995.3577	NA	PeJP	NA	NA
+PJ122802	NNNNNDEY 	C38H53N13O19	995.3581	NA	PeJP	NA	NA
+PJ122803	DEEMFYY 	C46H57N7O16S	995.3583	NA	PeJP	NA	NA
+PJ122804	GSPPDMMMM 	C39H65N9O13S4	995.3585	NA	PeJP	NA	NA
+PJ122805	GCNDDMRW 	C39H57N13O14S2	995.359	NA	PeJP	NA	NA
+PJ122806	SCNDWWW 	C47H53N11O12S	995.3596	NA	PeJP	NA	NA
+PJ122807	PCCCMHFR 	C40H61N13O9S4	995.3599	NA	PeJP	NA	NA
+PJ122808	GSSNDDDMR 	C35H57N13O19S	995.3615	NA	PeJP	NA	NA
+PJ122809	SSSNDDWW 	C43H53N11O17	995.3621	NA	PeJP	NA	NA
+PJ122810	GGGGGDDEFW 	C43H53N11O17	995.3622	NA	PeJP	NA	NA
+PJ122811	ASPCCCQER 	C36H61N13O14S3	995.3623	NA	PeJP	NA	NA
+PJ122812	GSPCCNEMR 	C36H61N13O14S3	995.3624	NA	PeJP	NA	NA
+PJ122813	GSCNNNNHH 	C36H53N17O15S	995.3628	NA	PeJP	NA	NA
+PJ122814	GGGGGGGGGSCHH 	C36H53N17O15S	995.3629	NA	PeJP	NA	NA
+PJ122815	NNDMMWW 	C44H57N11O12S2	995.363	NA	PeJP	NA	NA
+PJ122816	GCMMMMHR 	C37H65N13O9S5	995.3632	NA	PeJP	NA	NA
+PJ122817	TCCCHHHR 	C37H57N17O10S3	995.3637	NA	PeJP	NA	NA
+PJ122818	SSNNEEMW 	C40H57N11O17S	995.3655	NA	PeJP	NA	NA
+PJ122819	PDDDYWW 	C48H53N9O15	995.3662	NA	PeJP	NA	NA
+PJ122820	SSSMMMHW 	C41H61N11O12S3	995.3664	NA	PeJP	NA	NA
+PJ122821	GCNNEHHW 	C41H53N15O13S	995.3668	NA	PeJP	NA	NA
+PJ122822	GGGCNEHHW 	C41H53N15O13S	995.3669	NA	PeJP	NA	NA
+PJ122823	CCQFFYW 	C49H57N9O10S2	995.367	NA	PeJP	NA	NA
+PJ122824	SSSSNQEEE 	C36H57N11O22	995.368	NA	PeJP	NA	NA
+PJ122825	GDEEEMMR 	C37H61N11O17S2	995.3689	NA	PeJP	NA	NA
+PJ122826	GSSNNDEHH 	C37H53N15O18	995.3693	NA	PeJP	NA	NA
+PJ122827	SDDDDHHR 	C37H53N15O18	995.3694	NA	PeJP	NA	NA
+PJ122828	SEEEMWW 	C45H57N9O15S	995.3695	NA	PeJP	NA	NA
+PJ122829	STQMMMMH 	C38H65N11O12S4	995.3697	NA	PeJP	NA	NA
+PJ122830	GGGGPQMMMM 	C38H65N11O12S4	995.3698	NA	PeJP	NA	NA
+PJ122831	SCCNNNRW 	C38H57N15O13S2	995.3702	NA	PeJP	NA	NA
+PJ122832	PDMMMWW 	C46H61N9O10S3	995.3704	NA	PeJP	NA	NA
+PJ122833	SSTEEEEW 	C41H57N9O20	995.372	NA	PeJP	NA	NA
+PJ122834	SSSCNNNDR 	C34H57N15O18S	995.3727	NA	PeJP	NA	NA
+PJ122835	AAEEEMMW 	C42H61N9O15S2	995.3729	NA	PeJP	NA	NA
+PJ122836	GNNNNDYW 	C42H53N13O16	995.3734	NA	PeJP	NA	NA
+PJ122837	GSPCCCDRR 	C35H61N15O13S3	995.3736	NA	PeJP	NA	NA
+PJ122838	PPTCMMMW 	C43H65N9O10S4	995.3738	NA	PeJP	NA	NA
+PJ122839	CCNERWW 	C43H57N13O11S2	995.3742	NA	PeJP	NA	NA
+PJ122840	SDKEEEEM 	C38H61N9O20S	995.3754	NA	PeJP	NA	NA
+PJ122841	TEEEYYY 	C46H57N7O18	995.376	NA	PeJP	NA	NA
+PJ122842	PTQEEMMM 	C39H65N9O15S3	995.3763	NA	PeJP	NA	NA
+PJ122843	SSCNDERW 	C39H57N13O16S	995.3767	NA	PeJP	NA	NA
+PJ122844	GGGGGGGSSSMW 	C39H57N13O16S	995.3768	NA	PeJP	NA	NA
+PJ122845	PEMMYYY 	C47H61N7O13S2	995.3769	NA	PeJP	NA	NA
+PJ122846	PPQMMMMM 	C40H69N9O10S5	995.3771	NA	PeJP	NA	NA
+PJ122847	NNDDFWW 	C47H53N11O14	995.3774	NA	PeJP	NA	NA
+PJ122848	SPCCNMRW 	C40H61N13O11S3	995.3776	NA	PeJP	NA	NA
+PJ122849	PCNDHHHH 	C40H53N17O12S	995.3781	NA	PeJP	NA	NA
+PJ122850	ACNMWWW 	C48H57N11O9S2	995.3782	NA	PeJP	NA	NA
+PJ122851	GCQMWWW 	C48H57N11O9S2	995.3783	NA	PeJP	NA	NA
+PJ122852	SSSSNDDER 	C35H57N13O21	995.3792	NA	PeJP	NA	NA
+PJ122853	GGGGGGGSSSSTE 	C35H57N13O21	995.3793	NA	PeJP	NA	NA
+PJ122854	SNNDEMMR 	C36H61N13O16S2	995.3801	NA	PeJP	NA	NA
+PJ122855	GPCNQEYW 	C44H57N11O14S	995.3807	NA	PeJP	NA	NA
+PJ122856	GSSNEMWW 	C44H57N11O14S	995.3808	NA	PeJP	NA	NA
+PJ122857	STCMMMHR 	C37H65N13O11S4	995.381	NA	PeJP	NA	NA
+PJ122858	APCCCKWW 	C45H61N11O9S3	995.3816	NA	PeJP	NA	NA
+PJ122859	CNNHHWW 	C45H53N15O10S	995.3821	NA	PeJP	NA	NA
+PJ122860	ASSSSDQEW 	C40H57N11O19	995.3832	NA	PeJP	NA	NA
+PJ122861	GSSSSQEEW 	C40H57N11O19	995.3833	NA	PeJP	NA	NA
+PJ122862	DEEMMRW 	C41H61N11O14S2	995.3841	NA	PeJP	NA	NA
+PJ122863	GGGGGGPEMMF 	C41H61N11O14S2	995.3842	NA	PeJP	NA	NA
+PJ122864	SSNNDHHW 	C41H53N15O15	995.3846	NA	PeJP	NA	NA
+PJ122865	PDDMFWW 	C49H57N9O12S	995.3848	NA	PeJP	NA	NA
+PJ122866	PCCKMMHF 	C42H65N11O9S4	995.385	NA	PeJP	NA	NA
+PJ122867	GCQMHHHF 	C42H57N15O10S2	995.3855	NA	PeJP	NA	NA
+PJ122868	SSEEEEMR 	C37H61N11O19S	995.3866	NA	PeJP	NA	NA
+PJ122869	GSPEEEYW 	C45H57N9O17	995.3873	NA	PeJP	NA	NA
+PJ122870	SPDEMMMR 	C38H65N11O14S3	995.3875	NA	PeJP	NA	NA
+PJ122871	CNNNNDFR 	C38H57N15O15S	995.388	NA	PeJP	NA	NA
+PJ122872	CLEEMWW 	C46H61N9O12S2	995.3881	NA	PeJP	NA	NA
+PJ122873	VDEMMWW 	C46H61N9O12S2	995.3882	NA	PeJP	NA	NA
+PJ122874	PPCMMMMR 	C39H69N11O9S5	995.3884	NA	PeJP	NA	NA
+PJ122875	SDEHHWW 	C46H53N13O13	995.3886	NA	PeJP	NA	NA
+PJ122876	TCCKMHHH 	C39H61N15O10S3	995.3888	NA	PeJP	NA	NA
+PJ122877	GCCRWWW 	C47H57N13O8S2	995.3895	NA	PeJP	NA	NA
+PJ122878	GSSSTTMYY 	C42H61N9O17S	995.3906	NA	PeJP	NA	NA
+PJ122879	ATTEEEMW 	C42H61N9O17S	995.3907	NA	PeJP	NA	NA
+PJ122880	PDEFYYY 	C50H57N7O15	995.3913	NA	PeJP	NA	NA
+PJ122881	GGSCDDMRR 	C35H61N15O15S2	995.3914	NA	PeJP	NA	NA
+PJ122882	APTEMMMW 	C43H65N9O12S3	995.3915	NA	PeJP	NA	NA
+PJ122883	GSSCDRWW 	C43H57N13O13S	995.392	NA	PeJP	NA	NA
+PJ122884	PCCCQMRR 	C36H65N15O10S4	995.3922	NA	PeJP	NA	NA
+PJ122885	SSSSLEEEE 	C38H61N9O22	995.3931	NA	PeJP	NA	NA
+PJ122886	GTTTTEEEE 	C38H61N9O22	995.3932	NA	PeJP	NA	NA
+PJ122887	AKEEEEMM 	C39H65N9O17S2	995.394	NA	PeJP	NA	NA
+PJ122888	GSSSSDDRW 	C39H57N13O18	995.3945	NA	PeJP	NA	NA
+PJ122889	VEEMYYY 	C47H61N7O15S	995.3947	NA	PeJP	NA	NA
+PJ122890	PVQEMMMM 	C40H69N9O12S4	995.3949	NA	PeJP	NA	NA
+PJ122891	GSNDMMRW 	C40H61N13O13S2	995.3954	NA	PeJP	NA	NA
+PJ122892	GNEEHHHH 	C40H53N17O14	995.3958	NA	PeJP	NA	NA
+PJ122893	GGGEEHHHH 	C40H53N17O14	995.3959	NA	PeJP	NA	NA
+PJ122894	SSNMWWW 	C48H57N11O11S	995.396	NA	PeJP	NA	NA
+PJ122895	GCCHHHFR 	C41H57N17O9S2	995.3967	NA	PeJP	NA	NA
+PJ122896	SSSSNQQQM 	C36H61N13O18S	995.3978	NA	PeJP	NA	NA
+PJ122897	GSSSNEEMR 	C36H61N13O18S	995.3979	NA	PeJP	NA	NA
+PJ122898	SSSSQEWW 	C44H57N11O16	995.3985	NA	PeJP	NA	NA
+PJ122899	GNQEMMMR 	C37H65N13O13S3	995.3987	NA	PeJP	NA	NA
+PJ122900	GGGGAEMMMR 	C37H65N13O13S3	995.3988	NA	PeJP	NA	NA
+PJ122901	SCNNEHHR 	C37H57N17O14S	995.3992	NA	PeJP	NA	NA
+PJ122902	SQQMMWW 	C45H61N11O11S2	995.3994	NA	PeJP	NA	NA
+PJ122903	SSNDKEMW 	C41H61N11O16S	995.4019	NA	PeJP	NA	NA
+PJ122904	SPEEYWW 	C49H57N9O14	995.4025	NA	PeJP	NA	NA
+PJ122905	GSSCCNNRR 	C34H61N17O14S2	995.4026	NA	PeJP	NA	NA
+PJ122906	AAQQMMMW 	C42H65N11O11S3	995.4027	NA	PeJP	NA	NA
+PJ122907	GVNQMMMW 	C42H65N11O11S3	995.4028	NA	PeJP	NA	NA
+PJ122908	DDMHHRW 	C42H57N15O12S	995.4032	NA	PeJP	NA	NA
+PJ122909	GGGGGAPCHHF 	C42H57N15O12S	995.4033	NA	PeJP	NA	NA
+PJ122910	CCKFFYW 	C50H61N9O9S2	995.4034	NA	PeJP	NA	NA
+PJ122911	PCCCCRRR 	C35H65N17O9S4	995.4035	NA	PeJP	NA	NA
+PJ122912	SSSSNKEEE 	C37H61N11O21	995.4044	NA	PeJP	NA	NA
+PJ122913	SSTTTTMMH 	C38H65N11O16S2	995.4052	NA	PeJP	NA	NA
+PJ122914	ATEEEMMR 	C38H65N11O16S2	995.4053	NA	PeJP	NA	NA
+PJ122915	SNNNNDRY 	C38H57N15O17	995.4057	NA	PeJP	NA	NA
+PJ122916	GGGGGGGGSDRY 	C38H57N15O17	995.4058	NA	PeJP	NA	NA
+PJ122917	AAPEEMYW 	C46H61N9O14S	995.4059	NA	PeJP	NA	NA
+PJ122918	APEMMMMR 	C39H69N11O11S4	995.4061	NA	PeJP	NA	NA
+PJ122919	GSCCERRW 	C39H61N15O12S2	995.4066	NA	PeJP	NA	NA
+PJ122920	GPPMMMFW 	C47H65N9O9S3	995.4068	NA	PeJP	NA	NA
+PJ122921	SNNNHHHH 	C39H53N19O13	995.4071	NA	PeJP	NA	NA
+PJ122922	AEMHHWW 	C47H57N13O10S	995.4072	NA	PeJP	NA	NA
+PJ122923	VCEHHWW 	C47H57N13O10S	995.4073	NA	PeJP	NA	NA
+PJ122924	TTTTEEEW 	C42H61N9O19	995.4084	NA	PeJP	NA	NA
+PJ122925	GSSSCDERR 	C35H61N15O17S	995.4091	NA	PeJP	NA	NA
+PJ122926	GTLEEMMW 	C43H65N9O14S2	995.4093	NA	PeJP	NA	NA
+PJ122927	NNDERYW 	C43H57N13O15	995.4097	NA	PeJP	NA	NA
+PJ122928	GGNDERYW 	C43H57N13O15	995.4098	NA	PeJP	NA	NA
+PJ122929	PPMYYYY 	C51H61N7O12S	995.4099	NA	PeJP	NA	NA
+PJ122930	GCNEMMRR 	C36H65N15O12S3	995.41	NA	PeJP	NA	NA
+PJ122931	GPLMMMMW 	C44H69N9O9S4	995.4102	NA	PeJP	NA	NA
+PJ122932	SCQMRWW 	C44H61N13O10S2	995.4106	NA	PeJP	NA	NA
+PJ122933	NEHHHHW 	C44H53N17O11	995.4111	NA	PeJP	NA	NA
+PJ122934	ACHFFWW 	C52H57N11O8S	995.4113	NA	PeJP	NA	NA
+PJ122935	TTKEEEEM 	C39H65N9O19S	995.4118	NA	PeJP	NA	NA
+PJ122936	GSPTLEMMM 	C40H69N9O14S3	995.4126	NA	PeJP	NA	NA
+PJ122937	PTKEEMMM 	C40H69N9O14S3	995.4127	NA	PeJP	NA	NA
+PJ122938	SSSNEMRW 	C40H61N13O15S	995.4131	NA	PeJP	NA	NA
+PJ122939	GGGGGGGGGGLMY 	C40H61N13O15S	995.4132	NA	PeJP	NA	NA
+PJ122940	LEMMFYY 	C48H65N7O12S2	995.4133	NA	PeJP	NA	NA
+PJ122941	PPKMMMMM 	C41H73N9O9S5	995.4135	NA	PeJP	NA	NA
+PJ122942	GSSSTWWW 	C48H57N11O13	995.4138	NA	PeJP	NA	NA
+PJ122943	NQMMMRW 	C41H65N13O10S3	995.414	NA	PeJP	NA	NA
+PJ122944	GSCNHHRW 	C41H57N17O11S	995.4145	NA	PeJP	NA	NA
+PJ122945	GCKMWWW 	C49H61N11O8S2	995.4146	NA	PeJP	NA	NA
+PJ122946	SSSSSQEER 	C36H61N13O20	995.4156	NA	PeJP	NA	NA
+PJ122947	SSQQEMMR 	C37H65N13O15S2	995.4165	NA	PeJP	NA	NA
+PJ122948	NNNNQQQH 	C37H57N17O16	995.4169	NA	PeJP	NA	NA
+PJ122949	GSSSNDHHR 	C37H57N17O16	995.417	NA	PeJP	NA	NA
+PJ122950	GSSDKMWW 	C45H61N11O13S	995.4171	NA	PeJP	NA	NA
+PJ122951	GGGGAPTMYW 	C45H61N11O13S	995.4172	NA	PeJP	NA	NA
+PJ122952	PCCQKMMR 	C38H69N13O10S4	995.4174	NA	PeJP	NA	NA
+PJ122953	GNFFYYW 	C53H57N9O11	995.4178	NA	PeJP	NA	NA
+PJ122954	GGGGGMMHHR 	C38H61N17O11S2	995.4179	NA	PeJP	NA	NA
+PJ122955	GSSSSKEEW 	C41H61N11O18	995.4196	NA	PeJP	NA	NA
+PJ122956	AAEEEERY 	C41H61N11O18	995.4197	NA	PeJP	NA	NA
+PJ122957	GSQKEMMW 	C42H65N11O13S2	995.4205	NA	PeJP	NA	NA
+PJ122958	GPNDDHRW 	C42H57N15O14	995.421	NA	PeJP	NA	NA
+PJ122959	ACKYYYW 	C50H61N9O11S	995.4211	NA	PeJP	NA	NA
+PJ122960	PVDMYWW 	C50H61N9O11S	995.4212	NA	PeJP	NA	NA
+PJ122961	SCCRRWW 	C43H61N15O9S2	995.4219	NA	PeJP	NA	NA
+PJ122962	TTTEEEMR 	C38H65N11O18S	995.423	NA	PeJP	NA	NA
+PJ122963	GTTTQYYY 	C46H61N9O16	995.4236	NA	PeJP	NA	NA
+PJ122964	LQEEEYW 	C46H61N9O16	995.4237	NA	PeJP	NA	NA
+PJ122965	GLEEMMMR 	C39H69N11O13S3	995.4239	NA	PeJP	NA	NA
+PJ122966	GNNNQMRY 	C39H61N15O14S	995.4243	NA	PeJP	NA	NA
+PJ122967	SSSCDRRW 	C39H61N15O14S	995.4244	NA	PeJP	NA	NA
+PJ122968	TLEMMWW 	C47H65N9O11S2	995.4245	NA	PeJP	NA	NA
+PJ122969	GNDRYWW 	C47H57N13O12	995.425	NA	PeJP	NA	NA
+PJ122970	CNMMRRW 	C40H65N15O9S3	995.4252	NA	PeJP	NA	NA
+PJ122971	GHHHHWW 	C48H53N17O8	995.4264	NA	PeJP	NA	NA
+PJ122972	GSSSSSSNQR 	C35H61N15O19	995.4268	NA	PeJP	NA	NA
+PJ122973	SSSSSDDRR 	C35H61N15O19	995.4269	NA	PeJP	NA	NA
+PJ122974	STTLEEMW 	C43H65N9O16S	995.427	NA	PeJP	NA	NA
+PJ122975	AAAVEEEMF 	C43H65N9O16S	995.4271	NA	PeJP	NA	NA
+PJ122976	PVEYYYY 	C51H61N7O14	995.4277	NA	PeJP	NA	NA
+PJ122977	GVLEMMMW 	C44H69N9O11S3	995.4279	NA	PeJP	NA	NA
+PJ122978	NNNNNNHR 	C36H57N19O15	995.4282	NA	PeJP	NA	NA
+PJ122979	GSSSMRWW 	C44H61N13O12S	995.4284	NA	PeJP	NA	NA
+PJ122980	PCCCKMRR 	C37H69N15O9S4	995.4286	NA	PeJP	NA	NA
+PJ122981	QQYWWW 	C52H57N11O10	995.429	NA	PeJP	NA	NA
+PJ122982	GCCQHHRR 	C37H61N19O10S2	995.4291	NA	PeJP	NA	NA
+PJ122983	SSTTTLEEE 	C39H65N9O21	995.4295	NA	PeJP	NA	NA
+PJ122984	SLKEEEMM 	C40H69N9O16S2	995.4304	NA	PeJP	NA	NA
+PJ122985	GSSSSTERW 	C40H61N13O17	995.4309	NA	PeJP	NA	NA
+PJ122986	PVKEMMMM 	C41H73N9O11S4	995.4313	NA	PeJP	NA	NA
+PJ122987	GSTQMMRW 	C41H65N13O12S2	995.4317	NA	PeJP	NA	NA
+PJ122988	GSCKEMRW 	C41H65N13O12S2	995.4318	NA	PeJP	NA	NA
+PJ122989	GNNDHHFR 	C41H57N17O13	995.4322	NA	PeJP	NA	NA
+PJ122990	STCKWWW 	C49H61N11O10S	995.4324	NA	PeJP	NA	NA
+PJ122991	GSSSDKEMR 	C37H65N13O17S	995.4342	NA	PeJP	NA	NA
+PJ122992	GGASSTTEMR 	C37H65N13O17S	995.4343	NA	PeJP	NA	NA
+PJ122993	SSSSKEWW 	C45H61N11O15	995.4349	NA	PeJP	NA	NA
+PJ122994	GNKEMMMR 	C38H69N13O12S3	995.4351	NA	PeJP	NA	NA
+PJ122995	GCNNNRRY 	C38H61N17O13S	995.4356	NA	PeJP	NA	NA
+PJ122996	SQKMMWW 	C46H65N11O10S2	995.4358	NA	PeJP	NA	NA
+PJ122997	NQQHHFW 	C46H57N15O11	995.4362	NA	PeJP	NA	NA
+PJ122998	GGGGAAHHFW 	C46H57N15O11	995.4363	NA	PeJP	NA	NA
+PJ122999	SSTQKEMW 	C42H65N11O15S	995.4383	NA	PeJP	NA	NA
+PJ123000	ALEEYWW 	C50H61N9O13	995.4389	NA	PeJP	NA	NA
+PJ123001	SSCCERRR 	C35H65N17O13S2	995.439	NA	PeJP	NA	NA
+PJ123002	LEMMMRW 	C43H69N11O10S3	995.4391	NA	PeJP	NA	NA
+PJ123003	GGGVKMMMW 	C43H69N11O10S3	995.4392	NA	PeJP	NA	NA
+PJ123004	CNDFRRW 	C43H61N15O11S	995.4396	NA	PeJP	NA	NA
+PJ123005	PVMMFWW 	C51H65N9O8S2	995.4398	NA	PeJP	NA	NA
+PJ123006	GPQHWWW 	C51H57N13O9	995.4403	NA	PeJP	NA	NA
+PJ123007	STTTTTQQE 	C38H65N11O20	995.4407	NA	PeJP	NA	NA
+PJ123008	SSSSDKKEE 	C38H65N11O20	995.4408	NA	PeJP	NA	NA
+PJ123009	STLEEMMR 	C39H69N11O15S2	995.4416	NA	PeJP	NA	NA
+PJ123010	GGTDKKEMM 	C39H69N11O15S2	995.4417	NA	PeJP	NA	NA
+PJ123011	GSNDERRY 	C39H61N15O16	995.4421	NA	PeJP	NA	NA
+PJ123012	GGGGGGGGAALEH 	C39H61N15O16	995.4422	NA	PeJP	NA	NA
+PJ123013	GPTLEMYW 	C47H65N9O13S	995.4423	NA	PeJP	NA	NA
+PJ123014	SPLMMMMR 	C40H73N11O10S4	995.4425	NA	PeJP	NA	NA
+PJ123015	PPFFYYY 	C55H61N7O11	995.4429	NA	PeJP	NA	NA
+PJ123016	GSTCMRRW 	C40H65N15O11S2	995.443	NA	PeJP	NA	NA
+PJ123017	VLMMMWW 	C48H69N9O8S3	995.4432	NA	PeJP	NA	NA
+PJ123018	GSEHHHHR 	C40H57N19O12	995.4435	NA	PeJP	NA	NA
+PJ123019	GNMFRWW 	C48H61N13O9S	995.4436	NA	PeJP	NA	NA
+PJ123020	GLKEEEEY 	C43H65N9O18	995.4448	NA	PeJP	NA	NA
+PJ123021	GSSSSEMRR 	C36H65N15O16S	995.4455	NA	PeJP	NA	NA
+PJ123022	SSLLEMMW 	C44H69N9O13S2	995.4457	NA	PeJP	NA	NA
+PJ123023	SSSSTRWW 	C44H61N13O14	995.4461	NA	PeJP	NA	NA
+PJ123024	GGGGGGASKYW 	C44H61N13O14	995.4462	NA	PeJP	NA	NA
+PJ123025	PLMFYYY 	C52H65N7O11S	995.4463	NA	PeJP	NA	NA
+PJ123026	GSQMMMRR 	C37H69N15O11S3	995.4464	NA	PeJP	NA	NA
+PJ123027	SSCNHHRR 	C37H61N19O12S	995.4468	NA	PeJP	NA	NA
+PJ123028	SCKMRWW 	C45H65N13O9S2	995.447	NA	PeJP	NA	NA
+PJ123029	DKHHHHW 	C45H57N17O10	995.4475	NA	PeJP	NA	NA
+PJ123030	SSSTLLEEM 	C40H69N9O18S	995.4482	NA	PeJP	NA	NA
+PJ123031	VVKEEMMM 	C41H73N9O13S3	995.449	NA	PeJP	NA	NA
+PJ123032	SSSDKMRW 	C41H65N13O14S	995.4495	NA	PeJP	NA	NA
+PJ123033	LLMMYYY 	C49H69N7O11S2	995.4497	NA	PeJP	NA	NA
+PJ123034	GQKEYWW 	C49H61N11O12	995.4501	NA	PeJP	NA	NA
+PJ123035	GGAKEYWW 	C49H61N11O12	995.4502	NA	PeJP	NA	NA
+PJ123036	NKMMMRW 	C42H69N13O9S3	995.4504	NA	PeJP	NA	NA
+PJ123037	AVQMHHHH 	C42H61N17O10S	995.4508	NA	PeJP	NA	NA
+PJ123038	GLQMHHHH 	C42H61N17O10S	995.4509	NA	PeJP	NA	NA
+PJ123039	PPHHHWW 	C50H57N15O8	995.4515	NA	PeJP	NA	NA
+PJ123040	SSSSSKEER 	C37H65N13O19	995.452	NA	PeJP	NA	NA
+PJ123041	SSQKEMMR 	C38H69N13O14S2	995.4529	NA	PeJP	NA	NA
+PJ123042	GSSSTQHHR 	C38H61N17O15	995.4533	NA	PeJP	NA	NA
+PJ123043	SPNDDHRR 	C38H61N17O15	995.4534	NA	PeJP	NA	NA
+PJ123044	GSTTKMWW 	C46H65N11O12S	995.4535	NA	PeJP	NA	NA
+PJ123045	GGGGGGPLMFF 	C46H65N11O12S	995.4536	NA	PeJP	NA	NA
+PJ123046	PCCKKMMR 	C39H73N13O9S4	995.4538	NA	PeJP	NA	NA
+PJ123047	PPTFYWW 	C54H61N9O10	995.4542	NA	PeJP	NA	NA
+PJ123048	GSSTTTKEW 	C42H65N11O17	995.456	NA	PeJP	NA	NA
+PJ123049	GGGPPPKEEE 	C42H65N11O17	995.4561	NA	PeJP	NA	NA
+PJ123050	GSKKEMMW 	C43H69N11O12S2	995.4569	NA	PeJP	NA	NA
+PJ123051	SNDRRYW 	C43H61N15O13	995.4574	NA	PeJP	NA	NA
+PJ123052	PTLMYWW 	C51H65N9O10S	995.4575	NA	PeJP	NA	NA
+PJ123053	CLLEFWW 	C51H65N9O10S	995.4576	NA	PeJP	NA	NA
+PJ123054	VMMHHRW 	C44H65N15O8S2	995.4582	NA	PeJP	NA	NA
+PJ123055	SHHHHRW 	C44H57N19O9	995.4587	NA	PeJP	NA	NA
+PJ123056	GSSTKKEEM 	C39H69N11O17S	995.4594	NA	PeJP	NA	NA
+PJ123057	ASVLEEYW 	C47H65N9O15	995.46	NA	PeJP	NA	NA
+PJ123058	LKEEEYW 	C47H65N9O15	995.4601	NA	PeJP	NA	NA
+PJ123059	SVLEMMMR 	C40H73N11O12S3	995.4603	NA	PeJP	NA	NA
+PJ123060	SSSSMRRW 	C40H65N15O13S	995.4607	NA	PeJP	NA	NA
+PJ123061	AAAACDRRY 	C40H65N15O13S	995.4608	NA	PeJP	NA	NA
+PJ123062	GPVLMMYW 	C48H69N9O10S2	995.4609	NA	PeJP	NA	NA
+PJ123063	GTQRYWW 	C48H61N13O11	995.4614	NA	PeJP	NA	NA
+PJ123064	AAMHHHHR 	C41H61N19O9S	995.4621	NA	PeJP	NA	NA
+PJ123065	SSSSSTERR 	C36H65N15O18	995.4632	NA	PeJP	NA	NA
+PJ123066	SPLKEEMY 	C44H69N9O15S	995.4634	NA	PeJP	NA	NA
+PJ123067	VLEFYYY 	C52H65N7O13	995.4641	NA	PeJP	NA	NA
+PJ123068	ATLLMMMW 	C45H73N9O10S3	995.4643	NA	PeJP	NA	NA
+PJ123069	GNNNEHRR 	C37H61N19O14	995.4646	NA	PeJP	NA	NA
+PJ123070	VNQMRYW 	C45H65N13O11S	995.4647	NA	PeJP	NA	NA
+PJ123071	GGVQMRYW 	C45H65N13O11S	995.4648	NA	PeJP	NA	NA
+PJ123072	QKYWWW 	C53H61N11O9	995.4654	NA	PeJP	NA	NA
+PJ123073	GCCKHHRR 	C38H65N19O9S2	995.4655	NA	PeJP	NA	NA
+PJ123074	TTTTTTLEE 	C40H69N9O20	995.4659	NA	PeJP	NA	NA
+PJ123075	GTTTLLEMM 	C41H73N9O15S2	995.4668	NA	PeJP	NA	NA
+PJ123076	SSSSSSLRW 	C41H65N13O16	995.4672	NA	PeJP	NA	NA
+PJ123077	ASSSTTTRW 	C41H65N13O16	995.4673	NA	PeJP	NA	NA
+PJ123078	VLLQMMMM 	C42H77N9O10S4	995.4677	NA	PeJP	NA	NA
+PJ123079	GSTKMMRW 	C42H69N13O11S2	995.4681	NA	PeJP	NA	NA
+PJ123080	GGGGALMMFR 	C42H69N13O11S2	995.4682	NA	PeJP	NA	NA
+PJ123081	NQQQHRW 	C42H61N17O12	995.4686	NA	PeJP	NA	NA
+PJ123082	AQKMFWW 	C50H65N11O9S	995.4688	NA	PeJP	NA	NA
+PJ123083	GSSTTKEMR 	C38H69N13O16S	995.4706	NA	PeJP	NA	NA
+PJ123084	SSTTTKWW 	C46H65N11O14	995.4713	NA	PeJP	NA	NA
+PJ123085	GDKKMMMR 	C39H73N13O11S3	995.4715	NA	PeJP	NA	NA
+PJ123086	CNERRRY 	C39H65N17O12S	995.472	NA	PeJP	NA	NA
+PJ123087	SKKMMWW 	C47H69N11O9S2	995.4721	NA	PeJP	NA	NA
+PJ123088	PLMMRYW 	C47H69N11O9S2	995.4722	NA	PeJP	NA	NA
+PJ123089	SPQHRWW 	C47H61N15O10	995.4726	NA	PeJP	NA	NA
+PJ123090	SSTKKEMW 	C43H69N11O14S	995.4746	NA	PeJP	NA	NA
+PJ123091	STTDKKMW 	C43H69N11O14S	995.4747	NA	PeJP	NA	NA
+PJ123092	SLLEYWW 	C51H65N9O12	995.4753	NA	PeJP	NA	NA
+PJ123093	AAKKMMMW 	C44H73N11O9S3	995.4755	NA	PeJP	NA	NA
+PJ123094	GQMRRYW 	C44H65N15O10S	995.476	NA	PeJP	NA	NA
+PJ123095	GPKHWWW 	C52H61N13O8	995.4766	NA	PeJP	NA	NA
+PJ123096	ALHHFWW 	C52H61N13O8	995.4767	NA	PeJP	NA	NA
+PJ123097	SSTTTDKKE 	C39H69N11O19	995.4771	NA	PeJP	NA	NA
+PJ123098	SSSTTKKEE 	C39H69N11O19	995.4772	NA	PeJP	NA	NA
+PJ123099	SDKKKEMM 	C40H73N11O14S2	995.478	NA	PeJP	NA	NA
+PJ123100	GSTQERRY 	C40H65N15O15	995.4785	NA	PeJP	NA	NA
+PJ123101	AALLEMYW 	C48H69N9O12S	995.4787	NA	PeJP	NA	NA
+PJ123102	ALLMMMMR 	C41H77N11O9S4	995.4789	NA	PeJP	NA	NA
+PJ123103	PLFFFYY 	C56H65N7O10	995.4793	NA	PeJP	NA	NA
+PJ123104	APCCKRRY 	C41H69N15O10S2	995.4794	NA	PeJP	NA	NA
+PJ123105	NNNHRRW 	C41H61N19O11	995.4798	NA	PeJP	NA	NA
+PJ123106	GGGGNHRRW 	C41H61N19O11	995.4799	NA	PeJP	NA	NA
+PJ123107	ACKFRWW 	C49H65N13O8S	995.48	NA	PeJP	NA	NA
+PJ123108	SVLKEEEY 	C44H69N9O17	995.4812	NA	PeJP	NA	NA
+PJ123109	GSSTTTMRR 	C37H69N15O15S	995.4819	NA	PeJP	NA	NA
+PJ123110	TTTLLMMW 	C45H73N9O12S2	995.482	NA	PeJP	NA	NA
+PJ123111	PVVKEMMY 	C45H73N9O12S2	995.4821	NA	PeJP	NA	NA
+PJ123112	SQKERYW 	C45H65N13O13	995.4825	NA	PeJP	NA	NA
+PJ123113	GGGGGGAAPPLW 	C45H65N13O13	995.4826	NA	PeJP	NA	NA
+PJ123114	LLMFFYY 	C53H69N7O10S	995.4827	NA	PeJP	NA	NA
+PJ123115	GACCCKKKR 	C38H73N15O10S3	995.4828	NA	PeJP	NA	NA
+PJ123116	GPCDHRRR 	C38H65N19O11S	995.4832	NA	PeJP	NA	NA
+PJ123117	KMMHFFR 	C46H69N13O8S2	995.4834	NA	PeJP	NA	NA
+PJ123118	GPKHHHHF 	C46H61N17O9	995.4839	NA	PeJP	NA	NA
+PJ123119	STTTTLLEM 	C41H73N9O17S	995.4845	NA	PeJP	NA	NA
+PJ123120	TLLKEMMM 	C42H77N9O12S3	995.4854	NA	PeJP	NA	NA
+PJ123121	SSTTKMRW 	C42H69N13O13S	995.4859	NA	PeJP	NA	NA
+PJ123122	GKKEYWW 	C50H65N11O11	995.4865	NA	PeJP	NA	NA
+PJ123123	GPPPKEWW 	C50H65N11O11	995.4866	NA	PeJP	NA	NA
+PJ123124	GCRRRYW 	C43H65N17O9S	995.4872	NA	PeJP	NA	NA
+PJ123125	SSSTTTKER 	C38H69N13O18	995.4884	NA	PeJP	NA	NA
+PJ123126	SSKKEMMR 	C39H73N13O13S2	995.4893	NA	PeJP	NA	NA
+PJ123127	GSSDRRRY 	C39H65N17O14	995.4897	NA	PeJP	NA	NA
+PJ123128	GGGVEEHRR 	C39H65N17O14	995.4898	NA	PeJP	NA	NA
+PJ123129	VLEMRYW 	C47H69N11O11S	995.4899	NA	PeJP	NA	NA
+PJ123130	PVVFYWW 	C55H65N9O9	995.4906	NA	PeJP	NA	NA
+PJ123131	SSSSTTLKW 	C43H69N11O16	995.4924	NA	PeJP	NA	NA
+8263	f(42-49) of bovine kappa casein	YYQQKPVA	995.493	NA  ;SYN:1-Aminoethane-2-sulfonate; 1-Aminoethane-2-sulfonic acid; 2-Aminoethanesulfonate; 2-Aminoethanesulfonic acid; 2-Aminoethylsulfonate; 2-Aminoethylsulfonic acid; 2-Sulfoethylamine; Aminoethylsulfonate; Aminoethylsulfonic acid; Taurine; b-Aminoethylsulfonate; b-Aminoethylsulfonic acid; beta-Aminoethylsulfonate; beta-Aminoethylsulfonic acidH2Bile; Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+PJ123132	ATTKKMMW 	C44H73N11O11S2	995.4933	NA	PeJP	NA	NA
+PJ123133	STQRRYW 	C44H65N15O12	995.4937	NA	PeJP	NA	NA
+PJ123134	GGTTRRYW 	C44H65N15O12	995.4938	NA	PeJP	NA	NA
+PJ123135	VVLMYWW 	C52H69N9O9S	995.4939	NA	PeJP	NA	NA
+PJ123136	SSSSLKKEM 	C40H73N11O16S	995.4958	NA	PeJP	NA	NA
+PJ123137	ATTLLEYW 	C48H69N9O14	995.4964	NA	PeJP	NA	NA
+PJ123138	GAALLEEFF 	C48H69N9O14	995.4965	NA	PeJP	NA	NA
+PJ123139	TTLLMMMR 	C41H77N11O11S3	995.4967	NA	PeJP	NA	NA
+PJ123140	NKEMRRY 	C41H69N15O12S	995.4971	NA	PeJP	NA	NA
+PJ123141	GGGGAPPPCKR 	C41H69N15O12S	995.4972	NA	PeJP	NA	NA
+PJ123142	GVLLMMFW 	C49H73N9O9S2	995.4973	NA	PeJP	NA	NA
+PJ123143	GTKRYWW 	C49H65N13O10	995.4978	NA	PeJP	NA	NA
+PJ123144	SSSTTTTRR 	C37H69N15O17	995.4996	NA	PeJP	NA	NA
+PJ123145	ALLKEEMY 	C45H73N9O14S	995.4998	NA	PeJP	NA	NA
+PJ123146	VLLYYYY 	C53H69N7O12	995.5004	NA	PeJP	NA	NA
+PJ123147	SSTKMMRR 	C38H73N15O12S2	995.5005	NA	PeJP	NA	NA
+PJ123148	PVLKMMMF 	C46H77N9O9S3	995.5007	NA	PeJP	NA	NA
+PJ123149	NEEHRRR 	C38H65N19O13	995.501	NA	PeJP	NA	NA
+PJ123150	VNKMRYW 	C46H69N13O10S	995.5011	NA	PeJP	NA	NA
+PJ123151	GGVKMRYW 	C46H69N13O10S	995.5012	NA	PeJP	NA	NA
+PJ123152	KKYWWW 	C54H65N11O8	995.5018	NA	PeJP	NA	NA
+PJ123153	SSTTLLLMM 	C42H77N9O14S2	995.5032	NA	PeJP	NA	NA
+PJ123154	ASDKKERY 	C42H69N13O15	995.5036	NA	PeJP	NA	NA
+PJ123155	GSKKEERY 	C42H69N13O15	995.5037	NA	PeJP	NA	NA
+PJ123156	VLLKMMMM 	C43H81N9O9S4	995.5041	NA	PeJP	NA	NA
+PJ123157	APCKKMRY 	C43H73N13O10S2	995.5045	NA	PeJP	NA	NA
+PJ123158	VNEHRRW 	C43H65N17O11	995.505	NA	PeJP	NA	NA
+PJ123159	AKKMFWW 	C51H69N11O8S	995.5052	NA	PeJP	NA	NA
+PJ123160	SSSSTLKMR 	C39H73N13O15S	995.507	NA	PeJP	NA	NA
+PJ123161	DKKKEYW 	C47H69N11O13	995.5077	NA	PeJP	NA	NA
+PJ123162	ATKKMMMR 	C40H77N13O10S3	995.5079	NA	PeJP	NA	NA
+PJ123163	SQMRRRY 	C40H69N17O11S	995.5084	NA	PeJP	NA	NA
+PJ123164	LLMMFRW 	C48H73N11O8S2	995.5085	NA	PeJP	NA	NA
+PJ123165	SPKHRWW 	C48H65N15O9	995.509	NA	PeJP	NA	NA
+PJ123166	TTTTKKMW 	C44H73N11O13S	995.511	NA	PeJP	NA	NA
+PJ123167	GGALKKEMY 	C44H73N11O13S	995.5111	NA	PeJP	NA	NA
+PJ123168	AAPLLYYW 	C52H69N9O11	995.5117	NA	PeJP	NA	NA
+PJ123169	GSNNHRRR 	C37H65N21O12	995.5122	NA	PeJP	NA	NA
+PJ123170	GKMRRYW 	C45H69N15O9S	995.5124	NA	PeJP	NA	NA
+PJ123171	STTTTTKKE 	C40H73N11O18	995.5135	NA	PeJP	NA	NA
+PJ123172	TTKKKEMM 	C41H77N11O13S2	995.5144	NA	PeJP	NA	NA
+PJ123173	GSTKERRY 	C41H69N15O14	995.5149	NA	PeJP	NA	NA
+PJ123174	GTLLLMYW 	C49H73N9O11S	995.5151	NA	PeJP	NA	NA
+PJ123175	LLFFFFY 	C57H69N7O9	995.5157	NA	PeJP	NA	NA
+PJ123176	QKMMFRR 	C42H73N15O9S2	995.5158	NA	PeJP	NA	NA
+PJ123177	GEHRRRW 	C42H65N19O10	995.5162	NA	PeJP	NA	NA
+PJ123178	TTLLKEEY 	C45H73N9O16	995.5176	NA	PeJP	NA	NA
+PJ123179	PTLLKMMY 	C46H77N9O11S2	995.5184	NA	PeJP	NA	NA
+MJ099235	Schistostatin 4 	C46H69N13O12	995.518864	NA	MeJP	NA	NA
+PJ123180	SKKERYW 	C46H69N13O12	995.5189	NA	PeJP	NA	NA
+PJ123181	CCCKKKKR 	C39H77N15O9S3	995.5191	NA	PeJP	NA	NA
+PJ123182	SCRRRRY 	C39H69N19O10S	995.5196	NA	PeJP	NA	NA
+PJ123183	GVHRRWW 	C47H65N17O8	995.5203	NA	PeJP	NA	NA
+PJ123184	AAKKEMRY 	C43H73N13O12S	995.5223	NA	PeJP	NA	NA
+PJ123185	SVKKYWW 	C51H69N11O10	995.5229	NA	PeJP	NA	NA
+PJ123186	LMHHFRR 	C44H69N17O8S	995.5236	NA	PeJP	NA	NA
+PJ123187	STTTTTTKR 	C39H73N13O17	995.5248	NA	PeJP	NA	NA
+PJ123188	TTTKKMMR 	C40H77N13O12S2	995.5256	NA	PeJP	NA	NA
+PJ123189	GSSCKKKKM 	C40H77N13O12S2	995.5257	NA	PeJP	NA	NA
+PJ123190	GSTTRRRY 	C40H69N17O13	995.5261	NA	PeJP	NA	NA
+PJ123191	GGGGGGGGKKKH 	C40H69N17O13	995.5262	NA	PeJP	NA	NA
+PJ123192	LQKKMYW 	C48H73N11O10S	995.5263	NA	PeJP	NA	NA
+PJ123193	VVLFFWW 	C56H69N9O8	995.527	NA	PeJP	NA	NA
+PJ123194	TTTLLERY 	C44H73N11O15	995.5288	NA	PeJP	NA	NA
+PJ123195	GLLLMMRY 	C45H77N11O10S2	995.5297	NA	PeJP	NA	NA
+PJ123196	STKRRYW 	C45H69N15O11	995.5301	NA	PeJP	NA	NA
+PJ123197	GPPVERRW 	C45H69N15O11	995.5302	NA	PeJP	NA	NA
+PJ123198	HRRRWW 	C46H65N19O7	995.5315	NA	PeJP	NA	NA
+PJ123199	SSTTTLKKM 	C41H77N11O15S	995.5322	NA	PeJP	NA	NA
+PJ123200	STTLLLYW 	C49H73N9O13	995.5328	NA	PeJP	NA	NA
+PJ123201	SLKKKMMM 	C42H81N11O10S3	995.533	NA	PeJP	NA	NA
+PJ123202	DKKMRRY 	C42H73N15O11S	995.5335	NA	PeJP	NA	NA
+PJ123203	AAPPLRWW 	C50H69N13O9	995.5342	NA	PeJP	NA	NA
+PJ123204	SLLLKEMY 	C46H77N9O13S	995.5362	NA	PeJP	NA	NA
+PJ123205	DKEHRRR 	C39H69N19O12	995.5374	NA	PeJP	NA	NA
+PJ123206	CLKKRYW 	C47H73N13O9S	995.5375	NA	PeJP	NA	NA
+PJ123207	ATTKKERY 	C43H73N13O14	995.54	NA	PeJP	NA	NA
+PJ123208	GAPPLKEER 	C43H73N13O14	995.5401	NA	PeJP	NA	NA
+PJ123209	GVKKMMFR 	C44H77N13O9S2	995.5409	NA	PeJP	NA	NA
+PJ123210	PPERRRW 	C44H69N17O10	995.5414	NA	PeJP	NA	NA
+PJ123211	SSSTCKKKK 	C40H77N13O14S	995.5434	NA	PeJP	NA	NA
+PJ123212	SPTILFRY 	C48H73N11O12	995.544	NA	PeJP	NA	NA
+MJ099236	Micropeptin SF995 	C48H73N11O12	995.544016	NA	MeJP	NA	NA
+PJ123213	GTTLKKYW 	C48H73N11O12	995.5441	NA	PeJP	NA	NA
+PJ123214	CCKKKKKM 	C41H81N13O9S3	995.5443	NA	PeJP	NA	NA
+PJ123215	SKMRRRY 	C41H73N17O10S	995.5447	NA	PeJP	NA	NA
+PJ123216	SPPPMRRR 	C41H73N17O10S	995.5448	NA	PeJP	NA	NA
+PJ123217	PPVRRWW 	C49H69N15O8	995.5454	NA	PeJP	NA	NA
+PJ123218	STLLLMRY 	C45H77N11O12S	995.5474	NA	PeJP	NA	NA
+PJ123219	GGGAAPPLLLM 	C45H77N11O12S	995.5475	NA	PeJP	NA	NA
+PJ123220	AALLLFYW 	C53H73N9O10	995.5481	NA	PeJP	NA	NA
+PJ123221	SEHRRRR 	C38H69N21O11	995.5486	NA	PeJP	NA	NA
+PJ123222	SSSLKRRY 	C42H73N15O13	995.5513	NA	PeJP	NA	NA
+PJ123223	PVVLKMFY 	C50H77N9O10S	995.5515	NA	PeJP	NA	NA
+PJ123224	KKMMFRR 	C43H77N15O8S2	995.5521	NA	PeJP	NA	NA
+PJ123225	SVHRRRW 	C43H69N19O9	995.5526	NA	PeJP	NA	NA
+PJ123226	SSSTLLLLY 	C46H77N9O15	995.5539	NA	PeJP	NA	NA
+PJ123227	SPPVLLLEE 	C46H77N9O15	995.554	NA	PeJP	NA	NA
+PJ123228	VVLLKMMY 	C47H81N9O10S2	995.5548	NA	PeJP	NA	NA
+PJ123229	APPLKERW 	C47H73N13O11	995.5553	NA	PeJP	NA	NA
+PJ123230	LQMHRRR 	C40H73N19O9S	995.556	NA	PeJP	NA	NA
+PJ123231	GTLKKMRY 	C44H77N13O11S	995.5587	NA	PeJP	NA	NA
+PJ123232	GPPLLKWW 	C52H73N11O9	995.5593	NA	PeJP	NA	NA
+PJ123233	SPPVERRR 	C41H73N17O12	995.5625	NA	PeJP	NA	NA
+PJ123234	LKKKMYW 	C49H77N11O9S	995.5627	NA	PeJP	NA	NA
+PJ123235	STLKKKEY 	C45H77N11O14	995.5652	NA	PeJP	NA	NA
+PJ123236	ALKKKMMF 	C46H81N11O9S2	995.5661	NA	PeJP	NA	NA
+PJ123237	APPTLRRW 	C46H73N15O10	995.5665	NA	PeJP	NA	NA
+PJ123238	CLHRRRR 	C39H73N21O8S	995.5672	NA	PeJP	NA	NA
+PJ123239	SPLLLKYY 	C50H77N9O12	995.5692	NA	PeJP	NA	NA
+PJ123240	PPVLQMRR 	C43H77N15O10S	995.5699	NA	PeJP	NA	NA
+PJ123241	VLKKHWW 	C51H73N13O8	995.5706	NA	PeJP	NA	NA
+PJ123242	APPLLLLEM 	C47H81N9O12S	995.5726	NA	PeJP	NA	NA
+PJ123243	GTTLHRRR 	C40H73N19O11	995.5737	NA	PeJP	NA	NA
+PJ123244	GGGPLQRRR 	C40H73N19O11	995.5738	NA	PeJP	NA	NA
+PJ123245	STTLKKRY 	C44H77N13O13	995.5764	NA	PeJP	NA	NA
+PJ123246	GGGGGGAPLLLK 	C44H77N13O13	995.5765	NA	PeJP	NA	NA
+PJ123247	TLKHRRW 	C45H73N17O9	995.5778	NA	PeJP	NA	NA
+PJ123248	TTLLLLHW 	C49H77N11O11	995.5804	NA	PeJP	NA	NA
+PJ123249	PPVLKKEW 	C49H77N11O11	995.5805	NA	PeJP	NA	NA
+PJ123250	APPLMRRR 	C42H77N17O9S	995.5811	NA	PeJP	NA	NA
+PJ123251	SVLKKKMY 	C46H81N11O11S	995.5838	NA	PeJP	NA	NA
+PJ123252	PVVLKFFF 	C54H77N9O9	995.5845	NA	PeJP	NA	NA
+PJ123253	PQQRRRR 	C39H73N21O10	995.585	NA	PeJP	NA	NA
+PJ123254	PPTLKERR 	C43H77N15O12	995.5877	NA	PeJP	NA	NA
+PJ123255	VVLLKMFF 	C51H81N9O9S	995.5878	NA	PeJP	NA	NA
+PJ123256	PKHFRRR 	C44H73N19O8	995.589	NA	PeJP	NA	NA
+PJ123257	APVLLLLEE 	C47H81N9O14	995.5903	NA	PeJP	NA	NA
+PJ123258	GPLLLLLEE 	C47H81N9O14	995.5904	NA	PeJP	NA	NA
+PJ123259	SPPLLKRW 	C48H77N13O10	995.5917	NA	PeJP	NA	NA
+PJ123260	LKMHRRR 	C41H77N19O8S	995.5924	NA	PeJP	NA	NA
+PJ123261	ACKKKKKY 	C45H81N13O10S	995.5951	NA	PeJP	NA	NA
+PJ123262	LKKKFFW 	C53H77N11O8	995.5957	NA	PeJP	NA	NA
+PJ123263	GPLLERRR 	C42H77N17O11	995.5989	NA	PeJP	NA	NA
+PJ123264	SSTLLLLLH 	C46H81N11O13	995.6016	NA	PeJP	NA	NA
+PJ123265	GPVLLRRW 	C47H77N15O9	995.6029	NA	PeJP	NA	NA
+PJ123266	PLLLLLEW 	C51H81N9O11	995.6056	NA	PeJP	NA	NA
+PJ123267	PPVLKMRR 	C44H81N15O9S	995.6063	NA	PeJP	NA	NA
+PJ123268	SPPLLLLLM 	C48H85N9O11S	995.609	NA	PeJP	NA	NA
+PJ123269	GPVQKRRR 	C41H77N19O10	995.6101	NA	PeJP	NA	NA
+PJ123270	SSKKKKKY 	C45H81N13O12	995.6128	NA	PeJP	NA	NA
+PJ123271	PLLRRRW 	C46H77N17O8	995.6142	NA	PeJP	NA	NA
+PJ123272	PVLLLQKW 	C50H81N11O10	995.6168	NA	PeJP	NA	NA
+PJ123273	GPPLLLKKM 	C47H85N11O10S	995.6202	NA	PeJP	NA	NA
+PJ123274	PQKRRRR 	C40H77N21O9	995.6214	NA	PeJP	NA	NA
+PJ123275	PTLLLQRR 	C44H81N15O11	995.624	NA	PeJP	NA	NA
+PJ123276	PVVLKERR 	C44H81N15O11	995.6241	NA	PeJP	NA	NA
+PJ123277	SPVLLLLLE 	C48H85N9O13	995.6267	NA	PeJP	NA	NA
+PJ123278	APLLLKRW 	C49H81N13O9	995.6281	NA	PeJP	NA	NA
+PJ123279	VLLKKKMH 	C46H85N13O9S	995.6314	NA	PeJP	NA	NA
+PJ123280	SPVLLRRR 	C43H81N17O10	995.6353	NA	PeJP	NA	NA
+PJ123281	GPVLLLKKE 	C47H85N11O12	995.638	NA	PeJP	NA	NA
+PJ123282	APPLLLLLF 	C52H85N9O10	995.642	NA	PeJP	NA	NA
+PJ123283	APLLLLLLM 	C49H89N9O10S	995.6454	NA	PeJP	NA	NA
+PJ123284	GPVKKRRR 	C42H81N19O9	995.6465	NA	PeJP	NA	NA
+PJ123285	PLLLKKER 	C46H85N13O11	995.6492	NA	PeJP	NA	NA
+PJ123286	PVLLLKKW 	C51H85N11O9	995.6532	NA	PeJP	NA	NA
+PJ123287	PKKRRRR 	C41H81N21O8	995.6578	NA	PeJP	NA	NA
+PJ123288	PTLLLKRR 	C45H85N15O10	995.6604	NA	PeJP	NA	NA
+PJ123289	GLLLLLLLE 	C49H89N9O12	995.6631	NA	PeJP	NA	NA
+PJ123290	GLLLLRRR 	C44H85N17O9	995.6717	NA	PeJP	NA	NA
+PJ123291	SPVVLLLKK 	C48H89N11O11	995.6743	NA	PeJP	NA	NA
+PJ123292	APTLLLLKK 	C48H89N11O11	995.6744	NA	PeJP	NA	NA
+PJ123293	LLLLLLLW 	C53H89N9O9	995.6784	NA	PeJP	NA	NA
+PJ123294	LLLLLQKR 	C47H89N13O10	995.6856	NA	PeJP	NA	NA
+PJ123295	VVLLLKRR 	C46H89N15O9	995.6968	NA	PeJP	NA	NA
+PJ123296	SVLLLLLLL 	C50H93N9O11	995.6995	NA	PeJP	NA	NA
+PJ123297	GVLLLLLKK 	C49H93N11O10	995.7107	NA	PeJP	NA	NA
+PJ123298	LLLLLKKR 	C48H93N13O9	995.722	NA	PeJP	NA	NA
+MJ099237	Aplysinellin B 	C31H27Br3N4O13S3	995.828686	NA	MeJP	NA	NA
+HMDB01282	Diadenosine hexaphosphate	C20H30N10O25P6	995.980896	NA	HMDB2010	NA	NA
+HMDB01282	Diadenosine hexaphosphate	C20H30N10O25P6	995.98096	http://www.hmdb.ca/metabolites/HMDB01282	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01282	Diadenosine hexaphosphate	C20H30N10O25P6	995.98096	http://www.hmdb.ca/metabolites/HMDB01282	HMDB	NA	NA
+HMDB01282	Diadenosine hexaphosphate	C20H30N10O25P6	995.98096	http://www.hmdb.ca/metabolites/HMDB01282	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01282	Diadenosine hexaphosphate	C20H30N10O25P6	995.98096	HMDB01282	PFEM_hmdb_metabocards_official	NA	NA
+PJ123299	GPCCCCCCCC 	C31H52N10O11S8	996.1583	NA	PeJP	NA	NA
+PJ123300	CCCCCCNDM 	C31H52N10O13S7	996.1761	NA	PeJP	NA	NA
+PJ123301	ACCCCCCCW 	C35H52N10O10S7	996.1913	NA	PeJP	NA	NA
+PJ123302	GSSCCCCCCE 	C31H52N10O15S6	996.1938	NA	PeJP	NA	NA
+PJ123303	SSCCCCCCW 	C35H52N10O12S6	996.2091	NA	PeJP	NA	NA
+PJ123304	SSSSCCCCCD 	C31H52N10O17S5	996.2116	NA	PeJP	NA	NA
+PJ123305	SCCCCCNMM 	C32H56N10O12S7	996.2124	NA	PeJP	NA	NA
+PJ123306	GGSCCCCCMM 	C32H56N10O12S7	996.2125	NA	PeJP	NA	NA
+PJ123307	TCCCCCCCR 	C31H56N12O11S7	996.2237	NA	PeJP	NA	NA
+PJ123308	GCCCCCNEY 	C35H52N10O14S5	996.2268	NA	PeJP	NA	NA
+PJ123309	GSSTCCCCCM 	C32H56N10O14S6	996.2302	NA	PeJP	NA	NA
+PJ123310	PCCCCCNDH 	C34H52N12O13S5	996.2381	NA	PeJP	NA	NA
+PJ123311	CCCCCNYW 	C39H52N10O11S5	996.2421	NA	PeJP	NA	NA
+PJ123312	SSCCCCNDY 	C35H52N10O16S4	996.2446	NA	PeJP	NA	NA
+PJ123313	GCCCCCQMF 	C36H56N10O11S6	996.2455	NA	PeJP	NA	NA
+PJ123314	SSSSSCCCCM 	C32H56N10O16S5	996.248	NA	PeJP	NA	NA
+PJ123315	TCCCCCCKM 	C33H60N10O11S7	996.2488	NA	PeJP	NA	NA
+PJ123316	CCCDEMMY 	C37H56N8O14S5	996.252	NA	PeJP	NA	NA
+PJ123317	GCCCNDDMH 	C34H52N12O15S4	996.2558	NA	PeJP	NA	NA
+PJ123318	GGGCCCDDMH 	C34H52N12O15S4	996.2559	NA	PeJP	NA	NA
+PJ123319	GCCCCCCFR 	C35H56N12O10S6	996.2567	NA	PeJP	NA	NA
+PJ123320	GCNDDDDDE 	C34H48N10O23S	996.2615	NA	PeJP	NA	NA
+PJ123321	GSCCCCQMY 	C36H56N10O13S5	996.2632	NA	PeJP	NA	NA
+PJ123322	CCCDDEFY 	C40H52N8O16S3	996.2664	NA	PeJP	NA	NA
+PJ123323	SCCCCNNNH 	C33H52N14O14S4	996.2671	NA	PeJP	NA	NA
+PJ123324	CCCEMMMF 	C38H60N8O11S6	996.2706	NA	PeJP	NA	NA
+PJ123325	CCCCNEHW 	C38H52N12O12S4	996.2711	NA	PeJP	NA	NA
+PJ123326	SSCCCNDEH 	C34H52N12O17S3	996.2736	NA	PeJP	NA	NA
+PJ123327	GSCCCCCRY 	C35H56N12O12S5	996.2745	NA	PeJP	NA	NA
+PJ123328	CNDDDDDW 	C38H48N10O20S	996.2768	NA	PeJP	NA	NA
+PJ123329	CCCNNDYY 	C39H52N10O15S3	996.2776	NA	PeJP	NA	NA
+PJ123330	SSNDDDDDD 	C34H48N10O25	996.2793	NA	PeJP	NA	NA
+PJ123331	SPCCNDDDE 	C35H52N10O20S2	996.2801	NA	PeJP	NA	NA
+PJ123332	SSSCCCNMY 	C36H56N10O15S4	996.281	NA	PeJP	NA	NA
+PJ123333	GCCCCCKMF 	C37H60N10O10S6	996.2819	NA	PeJP	NA	NA
+PJ123334	SCCDDEYY 	C40H52N8O18S2	996.2841	NA	PeJP	NA	NA
+PJ123335	PCCCDMYY 	C41H56N8O13S4	996.285	NA	PeJP	NA	NA
+PJ123336	GCCCCHWW 	C42H52N12O9S4	996.2864	NA	PeJP	NA	NA
+PJ123337	CDDEEEEE 	C36H52N8O23S	996.2866	NA	PeJP	NA	NA
+PJ123338	DDDDEEEM 	C36H52N8O23S	996.2867	NA	PeJP	NA	NA
+PJ123339	SCCEMMMY 	C38H60N8O13S5	996.2884	NA	PeJP	NA	NA
+PJ123340	GSSCCCDHW 	C38H52N12O14S3	996.2889	NA	PeJP	NA	NA
+MJ099238	Sucrose; 1',3',6'-Tris-O-(4-hydroxy-3-methoxycinnamoyl)(E,E,E-), 2,4,6-tri-Ac 	C48H52O23	996.289937	NA	MeJP	NA	NA
+PJ123341	GCCNNDDQE 	C34H52N12O19S2	996.2913	NA	PeJP	NA	NA
+PJ123342	GSSSSCCDDH 	C34H52N12O19S2	996.2914	NA	PeJP	NA	NA
+PJ123343	GSCCNDMMH 	C35H56N12O14S4	996.2922	NA	PeJP	NA	NA
+PJ123344	GSPCCDDDW 	C39H52N10O17S2	996.2954	NA	PeJP	NA	NA
+PJ123345	APPCCCCDW 	C40H56N10O12S4	996.2962	NA	PeJP	NA	NA
+PJ123346	GPPCCCCEW 	C40H56N10O12S4	996.2963	NA	PeJP	NA	NA
+PJ123347	GSNDDDDEM 	C35H52N10O22S	996.2979	NA	PeJP	NA	NA
+PJ123348	GSSSSTCCCY 	C36H56N10O17S3	996.2987	NA	PeJP	NA	NA
+PJ123349	GPCNDDDMM 	C36H56N10O17S3	996.2988	NA	PeJP	NA	NA
+PJ123350	GSCCCCKMY 	C37H60N10O12S5	996.2996	NA	PeJP	NA	NA
+PJ123351	CCDDMHHH 	C37H52N14O13S3	996.3001	NA	PeJP	NA	NA
+PJ123352	SCCNNNNND 	C33H52N14O18S2	996.3026	NA	PeJP	NA	NA
+PJ123353	GCDDMMYY 	C41H56N8O15S3	996.3028	NA	PeJP	NA	NA
+PJ123354	GSCCCCEHR 	C34H56N14O13S4	996.3035	NA	PeJP	NA	NA
+PJ123355	PCCCMMFY 	C42H60N8O10S5	996.3036	NA	PeJP	NA	NA
+PJ123356	DDDDDEHH 	C37H48N12O21	996.3058	NA	PeJP	NA	NA
+PJ123357	CCNNNDEW 	C38H52N12O16S2	996.3066	NA	PeJP	NA	NA
+PJ123358	GCMMMMMY 	C39H64N8O10S6	996.307	NA	PeJP	NA	NA
+PJ123359	SCCCQMHW 	C39H56N12O11S4	996.3075	NA	PeJP	NA	NA
+PJ123360	GSCDDDDDR 	C34H52N12O21S	996.3091	NA	PeJP	NA	NA
+PJ123361	GPCCCDDER 	C35H56N12O16S3	996.31	NA	PeJP	NA	NA
+PJ123362	CCNQMMMH 	C36H60N12O11S5	996.3108	NA	PeJP	NA	NA
+PJ123363	GGCCQMMMH 	C36H60N12O11S5	996.3109	NA	PeJP	NA	NA
+MJ099239	Parishin 	C45H56O25	996.311067	NA	MeJP	NA	NA
+PJ123364	GSCCCNHHH 	C36H52N16O12S3	996.3113	NA	PeJP	NA	NA
+PJ123365	PPCCCCWW 	C44H56N10O9S4	996.3115	NA	PeJP	NA	NA
+PJ123366	SNDDDDMW 	C39H52N10O19S	996.3131	NA	PeJP	NA	NA
+PJ123367	GGGPCDDDDF 	C39H52N10O19S	996.3132	NA	PeJP	NA	NA
+PJ123368	PCCNDEMW 	C40H56N10O14S3	996.314	NA	PeJP	NA	NA
+PJ123369	SSSNDDDEE 	C35H52N10O24	996.3156	NA	PeJP	NA	NA
+PJ123370	SSSSSSSCCY 	C36H56N10O19S2	996.3165	NA	PeJP	NA	NA
+PJ123371	GCDDDFYY 	C44H52N8O17S	996.3172	NA	PeJP	NA	NA
+PJ123372	SSTCCCCKY 	C37H60N10O14S4	996.3174	NA	PeJP	NA	NA
+PJ123373	GPCCNDDHH 	C37H52N14O15S2	996.3179	NA	PeJP	NA	NA
+PJ123374	CCEMYYW 	C45H56N8O12S3	996.318	NA	PeJP	NA	NA
+PJ123375	SCCCCHRW 	C38H56N14O10S4	996.3187	NA	PeJP	NA	NA
+PJ123376	PDDDDEEY 	C40H52N8O22	996.3197	NA	PeJP	NA	NA
+PJ123377	SSCDEMYY 	C41H56N8O17S2	996.3205	NA	PeJP	NA	NA
+PJ123378	SSSCCCDHR 	C34H56N14O15S3	996.3212	NA	PeJP	NA	NA
+PJ123379	GGGGGGGGGGACCM 	C34H56N14O15S3	996.3213	NA	PeJP	NA	NA
+PJ123380	SPCCMMYY 	C42H60N8O12S4	996.3214	NA	PeJP	NA	NA
+PJ123381	GCCNNDWW 	C42H52N12O13S2	996.3219	NA	PeJP	NA	NA
+PJ123382	CCCNMMHR 	C35H60N14O10S5	996.3221	NA	PeJP	NA	NA
+PJ123383	SDEEEEEM 	C37H56N8O22S	996.323	NA	PeJP	NA	NA
+PJ123384	PDDEEMMM 	C38H60N8O17S3	996.3239	NA	PeJP	NA	NA
+PJ123385	GSSCNNDDW 	C38H52N12O18S	996.3244	NA	PeJP	NA	NA
+PJ123386	STCMMMMY 	C39H64N8O12S5	996.3248	NA	PeJP	NA	NA
+PJ123387	PCCCDDRW 	C39H56N12O13S3	996.3252	NA	PeJP	NA	NA
+PJ123388	GGGGCCEMHF 	C39H56N12O13S3	996.3253	NA	PeJP	NA	NA
+PJ123389	GSSSSNNDDD 	C34H52N12O23	996.3269	NA	PeJP	NA	NA
+PJ123390	CNDDDEMR 	C35H56N12O18S2	996.3277	NA	PeJP	NA	NA
+PJ123391	GGCDDDEMR 	C35H56N12O18S2	996.3278	NA	PeJP	NA	NA
+PJ123392	GSCDDEWW 	C43H52N10O16S	996.3284	NA	PeJP	NA	NA
+PJ123393	SPPCCCCER 	C36H60N12O13S4	996.3286	NA	PeJP	NA	NA
+PJ123394	GPCCDMWW 	C44H56N10O11S3	996.3293	NA	PeJP	NA	NA
+PJ123395	GSSSDDDEW 	C39H52N10O21	996.3309	NA	PeJP	NA	NA
+PJ123396	GSSSCCQYY 	C40H56N10O16S2	996.3317	NA	PeJP	NA	NA
+PJ123397	GNDDEMMW 	C40H56N10O16S2	996.3318	NA	PeJP	NA	NA
+PJ123398	GCCCNNNNR 	C33H56N16O14S3	996.3324	NA	PeJP	NA	NA
+PJ123399	GGGCCCNNNR 	C33H56N16O14S3	996.3325	NA	PeJP	NA	NA
+PJ123400	GPPTCCCMW 	C41H60N10O11S4	996.3326	NA	PeJP	NA	NA
+PJ123401	GSSNDEEEM 	C36H56N10O21S	996.3343	NA	PeJP	NA	NA
+PJ123402	GSDDDYYY 	C44H52N8O19	996.3349	NA	PeJP	NA	NA
+PJ123403	GSPNDDMMM 	C37H60N10O16S3	996.3351	NA	PeJP	NA	NA
+PJ123404	NNDDDMHH 	C37H52N14O17S	996.3356	NA	PeJP	NA	NA
+PJ123405	GPCCEYYY 	C45H56N8O14S2	996.3358	NA	PeJP	NA	NA
+PJ123406	GEMMMMMH 	C38H64N10O11S5	996.336	NA	PeJP	NA	NA
+PJ123407	CCCNDHFR 	C38H56N14O12S3	996.3365	NA	PeJP	NA	NA
+PJ123408	PCCCMFFF 	C46H60N8O9S4	996.3367	NA	PeJP	NA	NA
+PJ123409	PDDDEEMF 	C41H56N8O19S	996.3383	NA	PeJP	NA	NA
+PJ123410	CCDDDDRR 	C34H56N14O17S2	996.339	NA	PeJP	NA	NA
+PJ123411	GSDMMMYY 	C42H60N8O14S3	996.3391	NA	PeJP	NA	NA
+PJ123412	GSTCCCMHR 	C35H60N14O12S4	996.3398	NA	PeJP	NA	NA
+PJ123413	GGGPCCCNMR 	C35H60N14O12S4	996.3399	NA	PeJP	NA	NA
+PJ123414	GCMMMMFF 	C43H64N8O9S5	996.34	NA	PeJP	NA	NA
+PJ123415	GCCNMHFW 	C43H56N12O10S3	996.3405	NA	PeJP	NA	NA
+PJ123416	AEEEEEMM 	C38H60N8O19S2	996.3417	NA	PeJP	NA	NA
+PJ123417	NNNNDDEY 	C38H52N12O20	996.3421	NA	PeJP	NA	NA
+PJ123418	GGGGGGGGDDEY 	C38H52N12O20	996.3422	NA	PeJP	NA	NA
+PJ123419	GCDDDMRW 	C39H56N12O15S2	996.343	NA	PeJP	NA	NA
+PJ123420	SCDDWWW 	C47H52N10O13S	996.3436	NA	PeJP	NA	NA
+PJ123421	SCCCKMHW 	C40H60N12O10S4	996.3439	NA	PeJP	NA	NA
+PJ123422	GSSDDDDMR 	C35H56N12O20S	996.3455	NA	PeJP	NA	NA
+PJ123423	SSSDDDWW 	C43H52N10O18	996.3461	NA	PeJP	NA	NA
+PJ123424	GNDDDEFW 	C43H52N10O18	996.3462	NA	PeJP	NA	NA
+PJ123425	GSPCCDEMR 	C36H60N12O15S3	996.3464	NA	PeJP	NA	NA
+PJ123426	GSCNNNDHH 	C36H52N16O16S	996.3468	NA	PeJP	NA	NA
+PJ123427	GGGGGGGSCDHH 	C36H52N16O16S	996.3469	NA	PeJP	NA	NA
+PJ123428	NDDMMWW 	C44H56N10O13S2	996.347	NA	PeJP	NA	NA
+PJ123429	GPPCCCMMR 	C37H64N12O10S5	996.3472	NA	PeJP	NA	NA
+PJ123430	SSNDEEMW 	C40H56N10O18S	996.3495	NA	PeJP	NA	NA
+PJ123431	SPCNEMMW 	C41H60N10O13S3	996.3504	NA	PeJP	NA	NA
+PJ123432	GCNDEHHW 	C41H52N14O14S	996.3509	NA	PeJP	NA	NA
+PJ123433	PCCYYYW 	C49H56N8O11S2	996.351	NA	PeJP	NA	NA
+PJ123434	MMMMMHW 	C42H64N10O8S5	996.3513	NA	PeJP	NA	NA
+PJ123435	SSSSNEEEE 	C36H56N10O23	996.352	NA	PeJP	NA	NA
+PJ123436	SNQEEEMM 	C37H60N10O18S2	996.3529	NA	PeJP	NA	NA
+PJ123437	GSSNDDEHH 	C37H52N14O19	996.3534	NA	PeJP	NA	NA
+PJ123438	NDEMYYY 	C45H56N8O16S	996.3535	NA	PeJP	NA	NA
+PJ123439	SSPPCNMMM 	C38H64N10O13S4	996.3537	NA	PeJP	NA	NA
+PJ123440	STEMMMMH 	C38H64N10O13S4	996.3538	NA	PeJP	NA	NA
+PJ123441	SCCNNDRW 	C38H56N14O14S2	996.3542	NA	PeJP	NA	NA
+PJ123442	TCMMYYW 	C46H60N8O11S3	996.3544	NA	PeJP	NA	NA
+PJ123443	ACMMMHHH 	C39H60N14O9S4	996.3551	NA	PeJP	NA	NA
+PJ123444	SCCHHHHH 	C39H52N18O10S2	996.3556	NA	PeJP	NA	NA
+PJ123445	SPDEEEEY 	C41H56N8O21	996.356	NA	PeJP	NA	NA
+PJ123446	ADEEEEEF 	C41H56N8O21	996.3561	NA	PeJP	NA	NA
+PJ123447	SSSCNNDDR 	C34H56N14O19S	996.3567	NA	PeJP	NA	NA
+PJ123448	GGGGGGGGGSSSTC 	C34H56N14O19S	996.3568	NA	PeJP	NA	NA
+PJ123449	SSSEMMYY 	C42H60N8O16S2	996.3569	NA	PeJP	NA	NA
+PJ123450	GNNNDDYW 	C42H52N12O17	996.3574	NA	PeJP	NA	NA
+PJ123451	SSSSCCMHR 	C35H60N14O14S3	996.3576	NA	PeJP	NA	NA
+PJ123452	QMMMMYY 	C43H64N8O11S4	996.3578	NA	PeJP	NA	NA
+PJ123453	CCDERWW 	C43H56N12O12S2	996.3582	NA	PeJP	NA	NA
+PJ123454	GGGGGSCMWW 	C43H56N12O12S2	996.3583	NA	PeJP	NA	NA
+PJ123455	TTEEEEEM 	C38H60N8O21S	996.3594	NA	PeJP	NA	NA
+PJ123456	PTEEEMMM 	C39H64N8O16S3	996.3603	NA	PeJP	NA	NA
+PJ123457	GSSSNNDMW 	C39H56N12O17S	996.3607	NA	PeJP	NA	NA
+PJ123458	SSCDDERW 	C39H56N12O17S	996.3608	NA	PeJP	NA	NA
+PJ123459	PPEMMMMM 	C40H68N8O11S5	996.3612	NA	PeJP	NA	NA
+PJ123460	NDDDFWW 	C47H52N10O15	996.3614	NA	PeJP	NA	NA
+PJ123461	SPCCDMRW 	C40H60N12O12S3	996.3616	NA	PeJP	NA	NA
+PJ123462	PCDDHHHH 	C40H52N16O13S	996.3621	NA	PeJP	NA	NA
+PJ123463	GCEMWWW 	C48H56N10O10S2	996.3623	NA	PeJP	NA	NA
+PJ123464	SSSSDDDER 	C35H56N12O22	996.3632	NA	PeJP	NA	NA
+PJ123465	SSSTDDDDR 	C35H56N12O22	996.3633	NA	PeJP	NA	NA
+PJ123466	SNDDEMMR 	C36H60N12O17S2	996.3641	NA	PeJP	NA	NA
+PJ123467	GSSDEMWW 	C44H56N10O15S	996.3648	NA	PeJP	NA	NA
+PJ123468	PCNDMMMR 	C37H64N12O12S4	996.365	NA	PeJP	NA	NA
+PJ123469	CNNNQMHH 	C37H56N16O13S2	996.3655	NA	PeJP	NA	NA
+PJ123470	GSPCMMWW 	C45H60N10O10S3	996.3656	NA	PeJP	NA	NA
+PJ123471	AAPPCCCFW 	C45H60N10O10S3	996.3657	NA	PeJP	NA	NA
+PJ123472	CNDHHWW 	C45H52N14O11S	996.3661	NA	PeJP	NA	NA
+PJ123473	GSSSSEEEW 	C40H56N10O20	996.3673	NA	PeJP	NA	NA
+PJ123474	GSQEEMMW 	C41H60N10O15S2	996.3681	NA	PeJP	NA	NA
+PJ123475	GDDDKMMW 	C41H60N10O15S2	996.3682	NA	PeJP	NA	NA
+PJ123476	SSNDDHHW 	C41H52N14O16	996.3686	NA	PeJP	NA	NA
+PJ123477	GDMYYYW 	C49H56N8O13S	996.3688	NA	PeJP	NA	NA
+PJ123478	GGGGCCCERR 	C34H60N16O13S3	996.3689	NA	PeJP	NA	NA
+PJ123479	GPNMMMMW 	C42H64N10O10S4	996.369	NA	PeJP	NA	NA
+PJ123480	SPCCQHHW 	C42H56N14O11S2	996.3695	NA	PeJP	NA	NA
+PJ123481	GSSTQEEEM 	C37H60N10O20S	996.3706	NA	PeJP	NA	NA
+PJ123482	GGGSTTEEEM 	C37H60N10O20S	996.3707	NA	PeJP	NA	NA
+PJ123483	EEEEEFW 	C45H56N8O18	996.3713	NA	PeJP	NA	NA
+PJ123484	AQQEEMMM 	C38H64N10O15S3	996.3715	NA	PeJP	NA	NA
+PJ123485	NNNNNNMY 	C38H56N14O16S	996.372	NA	PeJP	NA	NA
+PJ123486	GPTCMYYY 	C46H60N8O13S2	996.3722	NA	PeJP	NA	NA
+PJ123487	SVMMMMMH 	C39H68N10O10S5	996.3724	NA	PeJP	NA	NA
+PJ123488	ACCNNMRW 	C39H60N14O11S3	996.3728	NA	PeJP	NA	NA
+PJ123489	GCCNQMRW 	C39H60N14O11S3	996.3729	NA	PeJP	NA	NA
+PJ123490	GCCHHFFF 	C47H56N12O9S2	996.3735	NA	PeJP	NA	NA
+PJ123491	SSSSSSNNNN 	C34H56N14O21	996.3745	NA	PeJP	NA	NA
+PJ123492	APEEEEMY 	C42H60N8O18S	996.3747	NA	PeJP	NA	NA
+PJ123493	ASSCCNQER 	C35H60N14O16S2	996.3753	NA	PeJP	NA	NA
+PJ123494	SCDDDMRR 	C35H60N14O16S2	996.3754	NA	PeJP	NA	NA
+PJ123495	GTTMMMYY 	C43H64N8O13S3	996.3755	NA	PeJP	NA	NA
+PJ123496	SSSCNQWW 	C43H56N12O14S	996.376	NA	PeJP	NA	NA
+PJ123497	PCCCEMRR 	C36H64N14O11S4	996.3762	NA	PeJP	NA	NA
+PJ123498	CCNNNHHR 	C36H56N18O12S2	996.3767	NA	PeJP	NA	NA
+PJ123499	ACCCKHFW 	C44H60N12O9S3	996.3769	NA	PeJP	NA	NA
+PJ123500	CMWWWW 	C52H56N10O7S2	996.3775	NA	PeJP	NA	NA
+MJ099240	Thielocin A1? 	C54H60O18	996.377965	NA	MeJP	NA	NA
+PJ123501	SLEEEEMM 	C39H64N8O18S2	996.378	NA	PeJP	NA	NA
+PJ123502	SSSSSNNEW 	C39H56N12O19	996.3785	NA	PeJP	NA	NA
+PJ123503	PVEEMMMM 	C40H68N8O13S4	996.3789	NA	PeJP	NA	NA
+PJ123504	GSDDMMRW 	C40H60N12O14S2	996.3794	NA	PeJP	NA	NA
+PJ123505	GDEEHHHH 	C40H52N16O15	996.3799	NA	PeJP	NA	NA
+PJ123506	SSDMWWW 	C48H56N10O12S	996.38	NA	PeJP	NA	NA
+PJ123507	APCCMMRW 	C41H64N12O9S4	996.3802	NA	PeJP	NA	NA
+PJ123508	PVCCCMRW 	C41H64N12O9S4	996.3803	NA	PeJP	NA	NA
+PJ123509	GSSSDEEMR 	C36H60N12O19S	996.3819	NA	PeJP	NA	NA
+PJ123510	SSSSEEWW 	C44H56N10O17	996.3825	NA	PeJP	NA	NA
+PJ123511	GGGGPDDEFF 	C44H56N10O17	996.3826	NA	PeJP	NA	NA
+PJ123512	ANDEMMMR 	C37H64N12O14S3	996.3827	NA	PeJP	NA	NA
+PJ123513	GNEEMMMR 	C37H64N12O14S3	996.3828	NA	PeJP	NA	NA
+PJ123514	SCNDEHHR 	C37H56N16O15S	996.3832	NA	PeJP	NA	NA
+PJ123515	GGGGGGGGGPCQH 	C37H56N16O15S	996.3833	NA	PeJP	NA	NA
+PJ123516	SQEMMWW 	C45H60N10O12S2	996.3834	NA	PeJP	NA	NA
+PJ123517	GCCCNRRW 	C38H60N16O10S3	996.3841	NA	PeJP	NA	NA
+PJ123518	CMHHHFW 	C46H56N14O8S2	996.3847	NA	PeJP	NA	NA
+PJ123519	SSTQEEMW 	C41H60N10O17S	996.3859	NA	PeJP	NA	NA
+PJ123520	SSEYYYW 	C49H56N8O15	996.3865	NA	PeJP	NA	NA
+PJ123521	GGDEFFYY 	C49H56N8O15	996.3866	NA	PeJP	NA	NA
+PJ123522	AAQEMMMW 	C42H64N10O12S3	996.3868	NA	PeJP	NA	NA
+PJ123523	GSNEMHHW 	C42H56N14O13S	996.3872	NA	PeJP	NA	NA
+PJ123524	GCDDKHHW 	C42H56N14O13S	996.3873	NA	PeJP	NA	NA
+PJ123525	GMMFYYW 	C50H60N8O10S2	996.3874	NA	PeJP	NA	NA
+PJ123526	SSSSDKEEE 	C37H60N10O22	996.3884	NA	PeJP	NA	NA
+PJ123527	SNKEEEMM 	C38H64N10O17S2	996.3893	NA	PeJP	NA	NA
+PJ123528	SNNNDDRY 	C38H56N14O18	996.3897	NA	PeJP	NA	NA
+PJ123529	GGGGSNDDRY 	C38H56N14O18	996.3898	NA	PeJP	NA	NA
+PJ123530	TQEMYYY 	C46H60N8O15S	996.3899	NA	PeJP	NA	NA
+PJ123531	PNDKMMMM 	C39H68N10O12S4	996.3901	NA	PeJP	NA	NA
+PJ123532	GGPDKMMMM 	C39H68N10O12S4	996.3902	NA	PeJP	NA	NA
+PJ123533	YYYYYY 	C54H56N6O13	996.3905	NA	PeJP	NA	NA
+PJ123534	SSCNNMRW 	C39H60N14O13S2	996.3906	NA	PeJP	NA	NA
+PJ123535	QMMMFFY 	C47H64N8O10S3	996.3908	NA	PeJP	NA	NA
+PJ123536	SNNDHHHH 	C39H52N18O14	996.3911	NA	PeJP	NA	NA
+PJ123537	CNQHFYW 	C47H56N12O11S	996.3912	NA	PeJP	NA	NA
+PJ123538	CNNQFWW 	C47H56N12O11S	996.3913	NA	PeJP	NA	NA
+PJ123539	GLEEEEEY 	C42H60N8O20	996.3924	NA	PeJP	NA	NA
+PJ123540	SSSSNNDMR 	C35H60N14O18S	996.3931	NA	PeJP	NA	NA
+PJ123541	STTTMMYY 	C43H64N8O15S2	996.3933	NA	PeJP	NA	NA
+PJ123542	GSSSSSNWW 	C43H56N12O16	996.3937	NA	PeJP	NA	NA
+PJ123543	GGGSSSSSWW 	C43H56N12O16	996.3938	NA	PeJP	NA	NA
+PJ123544	GCDEMMRR 	C36H64N14O13S3	996.394	NA	PeJP	NA	NA
+PJ123545	KMMMMYY 	C44H68N8O10S4	996.3942	NA	PeJP	NA	NA
+PJ123546	SCEMRWW 	C44H60N12O11S2	996.3946	NA	PeJP	NA	NA
+PJ123547	GGGGGMMHFF 	C44H60N12O11S2	996.3947	NA	PeJP	NA	NA
+PJ123548	DEHHHHW 	C44H52N16O12	996.3951	NA	PeJP	NA	NA
+PJ123549	GPCYWWW 	C52H56N10O9S	996.3953	NA	PeJP	NA	NA
+PJ123550	VVEEEMMM 	C40H68N8O15S3	996.3967	NA	PeJP	NA	NA
+PJ123551	SSSDEMRW 	C40H60N12O16S	996.3971	NA	PeJP	NA	NA
+PJ123552	GGGGGGVNEMY 	C40H60N12O16S	996.3972	NA	PeJP	NA	NA
+PJ123553	GQEEYWW 	C48H56N10O14	996.3978	NA	PeJP	NA	NA
+PJ123554	NEMMMRW 	C41H64N12O11S3	996.398	NA	PeJP	NA	NA
+PJ123555	GSCDHHRW 	C41H56N16O12S	996.3985	NA	PeJP	NA	NA
+PJ123556	GTMMWWW 	C49H60N10O9S2	996.3986	NA	PeJP	NA	NA
+PJ123557	ASMMWWW 	C49H60N10O9S2	996.3987	NA	PeJP	NA	NA
+PJ123558	SSSSSEEER 	C36H60N12O21	996.3996	NA	PeJP	NA	NA
+PJ123559	SSQEEMMR 	C37H64N12O16S2	996.4005	NA	PeJP	NA	NA
+PJ123560	GSSSDDHHR 	C37H56N16O17	996.401	NA	PeJP	NA	NA
+PJ123561	ASSTEMWW 	C45H60N10O14S	996.4011	NA	PeJP	NA	NA
+PJ123562	GSTTEMWW 	C45H60N10O14S	996.4012	NA	PeJP	NA	NA
+PJ123563	SPNMMMMR 	C38H68N12O11S4	996.4014	NA	PeJP	NA	NA
+PJ123564	GDFFYYW 	C53H56N8O12	996.4018	NA	PeJP	NA	NA
+PJ123565	GNDMMHHR 	C38H60N16O12S2	996.4019	NA	PeJP	NA	NA
+PJ123566	VNMMMWW 	C46H64N10O9S3	996.402	NA	PeJP	NA	NA
+PJ123567	SNMHHWW 	C46H56N14O10S	996.4025	NA	PeJP	NA	NA
+PJ123568	GSSTTTEEW 	C41H60N10O19	996.4036	NA	PeJP	NA	NA
+PJ123569	ASSSTTEEW 	C41H60N10O19	996.4037	NA	PeJP	NA	NA
+PJ123570	GSKEEMMW 	C42H64N10O14S2	996.4045	NA	PeJP	NA	NA
+PJ123571	GPDDDHRW 	C42H56N14O15	996.405	NA	PeJP	NA	NA
+PJ123572	ATMYYYW 	C50H60N8O12S	996.4052	NA	PeJP	NA	NA
+PJ123573	APCKMMMW 	C43H68N10O9S4	996.4054	NA	PeJP	NA	NA
+PJ123574	QQMMHHW 	C43H60N14O10S2	996.4059	NA	PeJP	NA	NA
+PJ123575	GSSTKEEEM 	C38H64N10O19S	996.407	NA	PeJP	NA	NA
+PJ123576	LEEEEYW 	C46H60N8O17	996.4077	NA	PeJP	NA	NA
+PJ123577	AQKEEMMM 	C39H68N10O14S3	996.4079	NA	PeJP	NA	NA
+PJ123578	GSSSSCQRW 	C39H60N14O15S	996.4084	NA	PeJP	NA	NA
+PJ123579	VQMMYYY 	C47H64N8O12S2	996.4085	NA	PeJP	NA	NA
+PJ123580	PPPDMMFY 	C47H64N8O12S2	996.4086	NA	PeJP	NA	NA
+PJ123581	GDDRYWW 	C47H56N12O13	996.409	NA	PeJP	NA	NA
+PJ123582	CDMMRRW 	C40H64N14O10S3	996.4092	NA	PeJP	NA	NA
+PJ123583	GGGCCKMRW 	C40H64N14O10S3	996.4093	NA	PeJP	NA	NA
+PJ123584	GNQMHHHH 	C40H56N18O11S	996.4097	NA	PeJP	NA	NA
+PJ123585	PCCFRWW 	C48H60N12O8S2	996.4099	NA	PeJP	NA	NA
+PJ123586	GSSSSSSNER 	C35H60N14O20	996.4109	NA	PeJP	NA	NA
+PJ123587	SPLEEEMY 	C43H64N8O17S	996.4111	NA	PeJP	NA	NA
+PJ123588	SSDDMMRR 	C36H64N14O15S2	996.4117	NA	PeJP	NA	NA
+PJ123589	GGGGGSSTMMR 	C36H64N14O15S2	996.4118	NA	PeJP	NA	NA
+PJ123590	PPVEMMMY 	C44H68N8O12S3	996.4119	NA	PeJP	NA	NA
+PJ123591	NNNNNDHR 	C36H56N18O16	996.4122	NA	PeJP	NA	NA
+PJ123592	GGGGGGGGGGDHR 	C36H56N18O16	996.4123	NA	PeJP	NA	NA
+PJ123593	SSSCNKWW 	C44H60N12O13S	996.4124	NA	PeJP	NA	NA
+PJ123594	PTCCMMRR 	C37H68N14O10S4	996.4126	NA	PeJP	NA	NA
+PJ123595	QEYWWW 	C52H56N10O11	996.413	NA	PeJP	NA	NA
+PJ123596	GCCEHHRR 	C37H60N18O11S2	996.4131	NA	PeJP	NA	NA
+PJ123597	GMMMRWW 	C45H64N12O8S3	996.4133	NA	PeJP	NA	NA
+PJ123598	SSSSSNDKW 	C40H60N12O18	996.4149	NA	PeJP	NA	NA
+PJ123599	GSTEMMRW 	C41H64N12O13S2	996.4158	NA	PeJP	NA	NA
+PJ123600	GNNNQQHW 	C41H56N16O14	996.4162	NA	PeJP	NA	NA
+PJ123601	GGGGGGGQQHW 	C41H56N16O14	996.4163	NA	PeJP	NA	NA
+PJ123602	STTMWWW 	C49H60N10O11S	996.4164	NA	PeJP	NA	NA
+PJ123603	SCCCNRRR 	C34H64N18O11S3	996.4165	NA	PeJP	NA	NA
+PJ123604	CQMHHRW 	C42H60N16O9S2	996.4171	NA	PeJP	NA	NA
+PJ123605	SSSSNQKEM 	C37H64N12O18S	996.4182	NA	PeJP	NA	NA
+PJ123606	GSSTTEEMR 	C37H64N12O18S	996.4183	NA	PeJP	NA	NA
+PJ123607	SSTTTEWW 	C45H60N10O16	996.4189	NA	PeJP	NA	NA
+PJ123608	GDKEMMMR 	C38H68N12O13S3	996.4191	NA	PeJP	NA	NA
+PJ123609	GGGGGATKMMM 	C38H68N12O13S3	996.4192	NA	PeJP	NA	NA
+PJ123610	GCNNDRRY 	C38H60N16O14S	996.4196	NA	PeJP	NA	NA
+PJ123611	SKEMMWW 	C46H64N10O11S2	996.4198	NA	PeJP	NA	NA
+PJ123612	NQEHHFW 	C46H56N14O12	996.4202	NA	PeJP	NA	NA
+MJ099241	Chromomycin A4 	C48H68O22	996.420223	NA	MeJP	NA	NA
+PJ123613	GSSTHHWW 	C46H56N14O12	996.4203	NA	PeJP	NA	NA
+PJ123614	GMFFFYW 	C54H60N8O9S	996.4204	NA	PeJP	NA	NA
+PJ123615	GCNHHHHR 	C39H56N20O10S	996.421	NA	PeJP	NA	NA
+PJ123616	SSTKEEMW 	C42H64N10O16S	996.4223	NA	PeJP	NA	NA
+PJ123617	TTTYYYW 	C50H60N8O14	996.4229	NA	PeJP	NA	NA
+PJ123618	GSSSCNMRR 	C35H64N16O14S2	996.423	NA	PeJP	NA	NA
+PJ123619	AAKEMMMW 	C43H68N10O11S3	996.4232	NA	PeJP	NA	NA
+PJ123620	NNNMRYW 	C43H60N14O12S	996.4236	NA	PeJP	NA	NA
+PJ123621	GGGGGAAPMHW 	C43H60N14O12S	996.4237	NA	PeJP	NA	NA
+PJ123622	QMMFFFF 	C51H64N8O9S2	996.4238	NA	PeJP	NA	NA
+PJ123623	GPEHWWW 	C51H56N12O10	996.4243	NA	PeJP	NA	NA
+PJ123624	SSSTTKEEE 	C38H64N10O21	996.4248	NA	PeJP	NA	NA
+PJ123625	ASSTLQEMM 	C39H68N10O16S2	996.4256	NA	PeJP	NA	NA
+PJ123626	SDKKEEMM 	C39H68N10O16S2	996.4257	NA	PeJP	NA	NA
+PJ123627	SSSSSSNRW 	C39H60N14O17	996.4261	NA	PeJP	NA	NA
+PJ123628	GGGGGGGGGSSKY 	C39H60N14O17	996.4262	NA	PeJP	NA	NA
+PJ123629	TKEMYYY 	C47H64N8O14S	996.4263	NA	PeJP	NA	NA
+PJ123630	PTQKMMMM 	C40H72N10O11S4	996.4265	NA	PeJP	NA	NA
+PJ123631	SSCCQKRW 	C40H64N14O12S2	996.427	NA	PeJP	NA	NA
+PJ123632	KMMMFFY 	C48H68N8O9S3	996.4272	NA	PeJP	NA	NA
+PJ123633	SSQQHHHH 	C40H56N18O13	996.4275	NA	PeJP	NA	NA
+PJ123634	SPCRYWW 	C48H60N12O10S	996.4276	NA	PeJP	NA	NA
+PJ123635	GGCNKFWW 	C48H60N12O10S	996.4277	NA	PeJP	NA	NA
+PJ123636	AYWWWW 	C56H56N10O8	996.4283	NA	PeJP	NA	NA
+PJ123637	SVLEEEEY 	C43H64N8O19	996.4288	NA	PeJP	NA	NA
+PJ123638	SSSSSQQMR 	C36H64N14O17S	996.4295	NA	PeJP	NA	NA
+PJ123639	PVVEEMMY 	C44H68N8O14S2	996.4297	NA	PeJP	NA	NA
+PJ123640	SQEERYW 	C44H60N12O15	996.4301	NA	PeJP	NA	NA
+PJ123641	GGTEERYW 	C44H60N12O15	996.4302	NA	PeJP	NA	NA
+PJ123642	GSEMMMRR 	C37H68N14O12S3	996.4304	NA	PeJP	NA	NA
+PJ123643	PPLMMMMF 	C45H72N8O9S4	996.4306	NA	PeJP	NA	NA
+PJ123644	SSCDHHRR 	C37H60N18O13S	996.4308	NA	PeJP	NA	NA
+PJ123645	STMMRWW 	C45H64N12O10S2	996.431	NA	PeJP	NA	NA
+PJ123646	GPEHHHHF 	C45H56N16O11	996.4315	NA	PeJP	NA	NA
+PJ123647	AAMFWWW 	C53H60N10O8S	996.4317	NA	PeJP	NA	NA
+PJ123648	TLLEEMMM 	C41H72N8O14S3	996.4331	NA	PeJP	NA	NA
+PJ123649	SSTTEMRW 	C41H64N12O15S	996.4335	NA	PeJP	NA	NA
+PJ123650	GGGGGAAPPPEM 	C41H64N12O15S	996.4336	NA	PeJP	NA	NA
+PJ123651	PLLMMMMM 	C42H76N8O9S5	996.4339	NA	PeJP	NA	NA
+PJ123652	GKEEYWW 	C49H60N10O13	996.4342	NA	PeJP	NA	NA
+PJ123653	DKMMMRW 	C42H68N12O10S3	996.4344	NA	PeJP	NA	NA
+PJ123654	GSSMHHRW 	C42H60N16O11S	996.4349	NA	PeJP	NA	NA
+PJ123655	PCKMFWW 	C50H64N10O8S2	996.435	NA	PeJP	NA	NA
+PJ123656	GQHHFWW 	C50H56N14O9	996.4355	NA	PeJP	NA	NA
+PJ123657	SSSTTTEER 	C37H64N12O20	996.436	NA	PeJP	NA	NA
+PJ123658	SSKEEMMR 	C38H68N12O15S2	996.4369	NA	PeJP	NA	NA
+PJ123659	SNQQQQQH 	C38H60N16O16	996.4373	NA	PeJP	NA	NA
+PJ123660	SPDDDHRR 	C38H60N16O16	996.4374	NA	PeJP	NA	NA
+PJ123661	SSSTLMWW 	C46H64N10O13S	996.4375	NA	PeJP	NA	NA
+PJ123662	GGAALEMYW 	C46H64N10O13S	996.4376	NA	PeJP	NA	NA
+PJ123663	GLQMMMMR 	C39H72N12O10S4	996.4378	NA	PeJP	NA	NA
+PJ123664	GVFYYYW 	C54H60N8O11	996.4382	NA	PeJP	NA	NA
+PJ123665	GGGGGCMFRR 	C39H64N16O11S2	996.4383	NA	PeJP	NA	NA
+PJ123666	CLKMMWW 	C47H68N10O8S3	996.4384	NA	PeJP	NA	NA
+PJ123667	TCKHHWW 	C47H60N14O9S	996.4389	NA	PeJP	NA	NA
+PJ123668	PHWWWW 	C55H56N12O7	996.4395	NA	PeJP	NA	NA
+PJ123669	SSSSTTLEW 	C42H64N10O18	996.44	NA	PeJP	NA	NA
+PJ123670	GDKKEEEY 	C42H64N10O18	996.4401	NA	PeJP	NA	NA
+PJ123671	SSSSSCQRR 	C35H64N16O16S	996.4407	NA	PeJP	NA	NA
+PJ123672	ATTKEMMW 	C43H68N10O13S2	996.4409	NA	PeJP	NA	NA
+PJ123673	SDDRRYW 	C43H60N14O14	996.4414	NA	PeJP	NA	NA
+PJ123674	VQMFFYY 	C51H64N8O11S	996.4416	NA	PeJP	NA	NA
+PJ123675	APPCMHRW 	C44H64N14O9S2	996.4423	NA	PeJP	NA	NA
+PJ123676	SSSSLKEEM 	C39H68N10O18S	996.4434	NA	PeJP	NA	NA
+PJ123677	SSTTLYYY 	C47H64N8O16	996.444	NA	PeJP	NA	NA
+PJ123678	SPPLEEYY 	C47H64N8O16	996.4441	NA	PeJP	NA	NA
+PJ123679	AKKEEMMM 	C40H72N10O13S3	996.4443	NA	PeJP	NA	NA
+PJ123680	DQEMRRY 	C40H64N14O14S	996.4447	NA	PeJP	NA	NA
+PJ123681	GSSSSCKRW 	C40H64N14O14S	996.4448	NA	PeJP	NA	NA
+PJ123682	VKMMYYY 	C48H68N8O11S2	996.4449	NA	PeJP	NA	NA
+PJ123683	GTERYWW 	C48H60N12O12	996.4454	NA	PeJP	NA	NA
+PJ123684	SMMMRRW 	C41H68N14O9S3	996.4456	NA	PeJP	NA	NA
+PJ123685	PPCNHHHR 	C41H60N18O10S	996.4461	NA	PeJP	NA	NA
+PJ123686	PHHHHFW 	C49H56N16O8	996.4468	NA	PeJP	NA	NA
+PJ123687	GSSSSSTTQR 	C36H64N14O19	996.4472	NA	PeJP	NA	NA
+PJ123688	GSSSSSSDKR 	C36H64N14O19	996.4473	NA	PeJP	NA	NA
+PJ123689	ALLEEEMY 	C44H68N8O16S	996.4474	NA	PeJP	NA	NA
+PJ123690	SSTEMMRR 	C37H68N14O14S2	996.4481	NA	PeJP	NA	NA
+PJ123691	PVLEMMMF 	C45H72N8O11S3	996.4483	NA	PeJP	NA	NA
+PJ123692	GNNDEHRR 	C37H60N18O15	996.4486	NA	PeJP	NA	NA
+PJ123693	VNEMRYW 	C45H64N12O12S	996.4488	NA	PeJP	NA	NA
+PJ123694	AAMMMMRR 	C38H72N14O9S4	996.449	NA	PeJP	NA	NA
+PJ123695	KEYWWW 	C53H60N10O10	996.4494	NA	PeJP	NA	NA
+PJ123696	GTCMHHRR 	C38H64N18O10S2	996.4495	NA	PeJP	NA	NA
+PJ123697	LMHHHHW 	C46H60N16O8S	996.4501	NA	PeJP	NA	NA
+PJ123698	SSSSSTQKW 	C41H64N12O17	996.4513	NA	PeJP	NA	NA
+PJ123699	VLLEMMMM 	C42H76N8O11S4	996.4517	NA	PeJP	NA	NA
+PJ123700	SSSLMMRW 	C42H68N12O12S2	996.4521	NA	PeJP	NA	NA
+PJ123701	GGSTCKKMW 	C42H68N12O12S2	996.4522	NA	PeJP	NA	NA
+PJ123702	SSSTHHRW 	C42H60N16O13	996.4526	NA	PeJP	NA	NA
+PJ123703	GGGGGGGGAKHW 	C42H60N16O13	996.4527	NA	PeJP	NA	NA
+PJ123704	SPKMYWW 	C50H64N10O10S	996.4528	NA	PeJP	NA	NA
+PJ123705	CKMHHRW 	C43H64N16O8S2	996.4535	NA	PeJP	NA	NA
+PJ123706	GVHHHHHH 	C43H56N20O9	996.454	NA	PeJP	NA	NA
+PJ123707	SSSSTLEMR 	C38H68N12O17S	996.4546	NA	PeJP	NA	NA
+PJ123708	GGSSSSKKEM 	C38H68N12O17S	996.4547	NA	PeJP	NA	NA
+PJ123709	TTTTTTWW 	C46H64N10O15	996.4553	NA	PeJP	NA	NA
+PJ123710	ATKEMMMR 	C39H72N12O12S3	996.4555	NA	PeJP	NA	NA
+PJ123711	CDERRRY 	C39H64N16O13S	996.456	NA	PeJP	NA	NA
+PJ123712	AAPKMMYW 	C47H68N10O10S2	996.4562	NA	PeJP	NA	NA
+PJ123713	SPEHRWW 	C47H60N14O11	996.4566	NA	PeJP	NA	NA
+MJ099242	Spirosta-5,25(27)-diene-1,3,23,24-tetrol, 1-O-[2,3,4-Tri-O-acetyl-?-L-rhamnopyranosyl-(1?2)-[?-D-xylopyranosyl-(1?3)]-?-L-arabinopyranoside] 	C49H72O21	996.456609	NA	MeJP	NA	NA
+PJ123714	GGGGLQHWW 	C47H60N14O11	996.4567	NA	PeJP	NA	NA
+PJ123715	GSSSSSSSRR 	C35H64N16O18	996.4585	NA	PeJP	NA	NA
+PJ123716	TTTTKEMW 	C43H68N10O15S	996.4587	NA	PeJP	NA	NA
+PJ123717	PTKYYYY 	C51H64N8O13	996.4593	NA	PeJP	NA	NA
+PJ123718	GSSTCCKRR 	C36H68N16O13S2	996.4594	NA	PeJP	NA	NA
+PJ123719	GTLKMMMW 	C44H72N10O10S3	996.4595	NA	PeJP	NA	NA
+PJ123720	GGPVKMMMF 	C44H72N10O10S3	996.4596	NA	PeJP	NA	NA
+PJ123721	GEMRRYW 	C44H64N14O11S	996.46	NA	PeJP	NA	NA
+PJ123722	KMMFFFF 	C52H68N8O8S2	996.4602	NA	PeJP	NA	NA
+PJ123723	TRYWWW 	C52H60N12O9	996.4607	NA	PeJP	NA	NA
+PJ123724	STTTTTKEE 	C39H68N10O20	996.4612	NA	PeJP	NA	NA
+PJ123725	TTKKEEMM 	C40H72N10O15S2	996.462	NA	PeJP	NA	NA
+PJ123726	GSTEERRY 	C40H64N14O16	996.4625	NA	PeJP	NA	NA
+PJ123727	GGGGGGGGAPPKE 	C40H64N14O16	996.4626	NA	PeJP	NA	NA
+PJ123728	PPVVEMYY 	C48H68N8O13S	996.4627	NA	PeJP	NA	NA
+PJ123729	PTKKMMMM 	C41H76N10O10S4	996.4629	NA	PeJP	NA	NA
+PJ123730	SSCCKKRW 	C41H68N14O11S2	996.4634	NA	PeJP	NA	NA
+PJ123731	NNDHRRW 	C41H60N18O12	996.4638	NA	PeJP	NA	NA
+PJ123732	GGNDHRRW 	C41H60N18O12	996.4639	NA	PeJP	NA	NA
+PJ123733	GVMRYWW 	C49H64N12O9S	996.464	NA	PeJP	NA	NA
+PJ123734	TTLLEEEY 	C44H68N8O18	996.4652	NA	PeJP	NA	NA
+PJ123735	SSSSSQKMR 	C37H68N14O16S	996.4659	NA	PeJP	NA	NA
+PJ123736	PTLLEMMY 	C45H72N8O13S2	996.4661	NA	PeJP	NA	NA
+PJ123737	SKEERYW 	C45H64N12O14	996.4665	NA	PeJP	NA	NA
+PJ123738	GGGLLEEHW 	C45H64N12O14	996.4666	NA	PeJP	NA	NA
+PJ123739	ATTMMMRR 	C38H72N14O11S3	996.4668	NA	PeJP	NA	NA
+PJ123740	SSSMHHRR 	C38H64N18O12S	996.4672	NA	PeJP	NA	NA
+PJ123741	VQMMFRW 	C46H68N12O9S2	996.4674	NA	PeJP	NA	NA
+PJ123742	GQQHRWW 	C46H60N16O10	996.4679	NA	PeJP	NA	NA
+3079	hemorphin-7	YPWTQRF	996.468	celiac toxic	Inhouse_peptide	NA	peptide
+PJ123743	TTTTTMRW 	C42H68N12O14S	996.4699	NA	PeJP	NA	NA
+PJ123744	SVKEYWW 	C50H64N10O12	996.4705	NA	PeJP	NA	NA
+PJ123745	VTDKYWW 	C50H64N10O12	996.4706	NA	PeJP	NA	NA
+PJ123746	ACCKKKMW 	C43H72N12O9S3	996.4708	NA	PeJP	NA	NA
+PJ123747	PDMHRRW 	C43H64N16O10S	996.4713	NA	PeJP	NA	NA
+PJ123748	GKHHFWW 	C51H60N14O8	996.4719	NA	PeJP	NA	NA
+PJ123749	STTTTTTER 	C38H68N12O19	996.4724	NA	PeJP	NA	NA
+PJ123750	TTTKEMMR 	C39H72N12O14S2	996.4733	NA	PeJP	NA	NA
+PJ123751	SSSNQRRY 	C39H64N16O15	996.4737	NA	PeJP	NA	NA
+PJ123752	GGGGSSTRRY 	C39H64N16O15	996.4738	NA	PeJP	NA	NA
+PJ123753	LQKEMYW 	C47H68N10O12S	996.4739	NA	PeJP	NA	NA
+PJ123754	AVKMMMMR 	C40H76N12O9S4	996.4741	NA	PeJP	NA	NA
+HMDB10036	PIP2(16:0/18:1(11Z))	C43H83O19P3	996.474121	NA	HMDB2010	NA	NA
+HMDB10037	PIP2(16:0/18:1(9Z))	C43H83O19P3	996.474121	NA	HMDB2010	NA	NA
+HMDB10053	PIP2(16:1(9Z)/18:0)	C43H83O19P3	996.474121	NA	HMDB2010	NA	NA
+HMDB10060	PIP2(18:0/16:1(9Z))	C43H83O19P3	996.474121	NA	HMDB2010	NA	NA
+HMDB10072	PIP2(18:1(11Z)/16:0)	C43H83O19P3	996.474121	NA	HMDB2010	NA	NA
+HMDB10085	PIP2(18:1(9Z)/16:0)	C43H83O19P3	996.474121	NA	HMDB2010	NA	NA
+PJ123755	GLKMMMMR 	C40H76N12O9S4	996.4742	NA	PeJP	NA	NA
+PJ123756	VQFFFFY 	C55H64N8O10	996.4746	NA	PeJP	NA	NA
+PJ123757	MRRYWW 	C48H64N14O8S	996.4753	NA	PeJP	NA	NA
+PJ123758	SSTTTTTLW 	C43H68N10O17	996.4764	NA	PeJP	NA	NA
+PJ123759	GGGPPLLEEE 	C43H68N10O17	996.4765	NA	PeJP	NA	NA
+PJ123760	SSSSSCKRR 	C36H68N16O15S	996.4771	NA	PeJP	NA	NA
+PJ123761	STTLKMMW 	C44H72N10O12S2	996.4773	NA	PeJP	NA	NA
+PJ123762	QQQQFRY 	C44H64N14O13	996.4777	NA	PeJP	NA	NA
+MJ099243	3,14,21-Trihydroxypregnan-20-one, 3-O-[?-D-Gentiobiosyl-(1?4)-?-L-acofrioside], 21-O-?-D-glucopyranoside 	C46H76O23	996.477738	NA	MeJP	NA	NA
+PJ123763	STERRYW 	C44H64N14O13	996.4778	NA	PeJP	NA	NA
+PJ123764	VKMFFYY 	C52H68N8O10S	996.4779	NA	PeJP	NA	NA
+PJ123765	PPPVMFFY 	C52H68N8O10S	996.478	NA	PeJP	NA	NA
+PJ123766	AMMFRRW 	C45H68N14O8S2	996.4786	NA	PeJP	NA	NA
+PJ123767	PQHHHRW 	C45H60N18O9	996.4791	NA	PeJP	NA	NA
+PJ123768	SSTTTLKEM 	C40H72N10O17S	996.4798	NA	PeJP	NA	NA
+PJ123769	APLLEEYY 	C48H68N8O15	996.4804	NA	PeJP	NA	NA
+PJ123770	PVVVEEYY 	C48H68N8O15	996.4805	NA	PeJP	NA	NA
+PJ123771	SLKKEMMM 	C41H76N10O12S3	996.4807	NA	PeJP	NA	NA
+PJ123772	DKEMRRY 	C41H68N14O13S	996.4811	NA	PeJP	NA	NA
+PJ123773	GGGGATKMRY 	C41H68N14O13S	996.4812	NA	PeJP	NA	NA
+PJ123774	PPVLMMFY 	C49H72N8O10S2	996.4813	NA	PeJP	NA	NA
+PJ123775	SSLRYWW 	C49H64N12O11	996.4818	NA	PeJP	NA	NA
+PJ123776	NMHHFRR 	C42H64N18O9S	996.4825	NA	PeJP	NA	NA
+PJ123777	GSSSSSTTKR 	C37H68N14O18	996.4836	NA	PeJP	NA	NA
+PJ123778	SLLLEEMY 	C45H72N8O15S	996.4838	NA	PeJP	NA	NA
+PJ123779	TTTTMMRR 	C38H72N14O13S2	996.4845	NA	PeJP	NA	NA
+PJ123780	PVLLMMMY 	C46H76N8O10S3	996.4847	NA	PeJP	NA	NA
+PJ123781	DEEHRRR 	C38H64N18O14	996.485	NA	PeJP	NA	NA
+PJ123782	VDKMRYW 	C46H68N12O11S	996.4852	NA	PeJP	NA	NA
+PJ123783	APKFYWW 	C54H64N10O9	996.4858	NA	PeJP	NA	NA
+PJ123784	ASPTTTTRY 	C42H68N12O16	996.4876	NA	PeJP	NA	NA
+PJ123785	SSSSSTKKW 	C42H68N12O16	996.4877	NA	PeJP	NA	NA
+PJ123786	SSCKKKMW 	C43H72N12O11S2	996.4885	NA	PeJP	NA	NA
+PJ123787	GGGAAKKMMF 	C43H72N12O11S2	996.4886	NA	PeJP	NA	NA
+PJ123788	VDEHRRW 	C43H64N16O12	996.489	NA	PeJP	NA	NA
+PJ123789	ALKMYWW 	C51H68N10O9S	996.4892	NA	PeJP	NA	NA
+PJ123790	SSTTTTLMR 	C39H72N12O16S	996.491	NA	PeJP	NA	NA
+PJ123791	GTTLKEYW 	C47H68N10O14	996.4917	NA	PeJP	NA	NA
+PJ123792	STLKMMMR 	C40H76N12O11S3	996.4919	NA	PeJP	NA	NA
+PJ123793	SEMRRRY 	C40H68N16O12S	996.4924	NA	PeJP	NA	NA
+PJ123794	AALKMMFW 	C48H72N10O9S2	996.4926	NA	PeJP	NA	NA
+MJ099244	11-Hydroxy-3,21-dioxo-12-oleanen-28-oic acid; 11?-form, 28-O-[?-L-Rhamnopyranosyl-(1?4)-6-O-acetyl-?-D-glucopyranosyl-(1?6)-?-D-glucopyranosyl] ester 	C50H76O20	996.492994	NA	MeJP	NA	NA
+PJ123795	ALEHRWW 	C48H64N14O10	996.493	NA	PeJP	NA	NA
+MJ099245	Mycalolide A; 30R-Alcohol, 30-O-(2R-methoxypropanoyl) 	C51H72N4O16	996.494332	NA	MeJP	NA	NA
+PJ123796	SVLQKEMY 	C44H72N10O14S	996.495	NA	PeJP	NA	NA
+PJ123797	GLKKEEMY 	C44H72N10O14S	996.4951	NA	PeJP	NA	NA
+PJ123798	VVKYYYY 	C52H68N8O12	996.4957	NA	PeJP	NA	NA
+PJ123799	PCLKKMMF 	C45H76N10O9S3	996.4959	NA	PeJP	NA	NA
+PJ123800	GSNDHRRR 	C37H64N20O13	996.4962	NA	PeJP	NA	NA
+PJ123801	SVMRRYW 	C45H68N14O10S	996.4964	NA	PeJP	NA	NA
+PJ123802	AVLHWWW 	C53H64N12O8	996.497	NA	PeJP	NA	NA
+PJ123803	GLLHWWW 	C53H64N12O8	996.4971	NA	PeJP	NA	NA
+PJ123804	SSSSTTTTLL 	C40H72N10O19	996.4975	NA	PeJP	NA	NA
+PJ123805	SSSTLLKMM 	C41H76N10O14S2	996.4984	NA	PeJP	NA	NA
+PJ123806	SSSLERRY 	C41H68N14O15	996.4989	NA	PeJP	NA	NA
+PJ123807	PPTLLMYY 	C49H72N8O12S	996.4991	NA	PeJP	NA	NA
+PJ123808	VVKKMMMM 	C42H80N10O9S4	996.4993	NA	PeJP	NA	NA
+PJ123809	LQMMRRY 	C42H72N14O10S2	996.4998	NA	PeJP	NA	NA
+PJ123810	SQQHRRW 	C42H64N18O11	996.5002	NA	PeJP	NA	NA
+PJ123811	GGGATHRRW 	C42H64N18O11	996.5003	NA	PeJP	NA	NA
+PJ123812	PLKMHWW 	C50H68N12O8S	996.5004	NA	PeJP	NA	NA
+PJ123813	SSSSSKKMR 	C38H72N14O15S	996.5023	NA	PeJP	NA	NA
+PJ123814	VVLLEMMY 	C46H76N8O12S2	996.5025	NA	PeJP	NA	NA
+PJ123815	GTTTLRYW 	C46H68N12O13	996.5029	NA	PeJP	NA	NA
+PJ123816	GGGGGAAPPPLF 	C46H68N12O13	996.503	NA	PeJP	NA	NA
+PJ123817	TCCKKKMR 	C39H76N14O10S3	996.5031	NA	PeJP	NA	NA
+PJ123818	AAQQMHRR 	C39H68N18O11S	996.5036	NA	PeJP	NA	NA
+PJ123819	VKMMFRW 	C47H72N12O8S2	996.5038	NA	PeJP	NA	NA
+PJ123820	GQKHRWW 	C47H64N16O9	996.5043	NA	PeJP	NA	NA
+PJ123821	GTLKEMRY 	C43H72N12O13S	996.5063	NA	PeJP	NA	NA
+PJ123822	TTLKYWW 	C51H68N10O11	996.5069	NA	PeJP	NA	NA
+PJ123823	GPPLLEWW 	C51H68N10O11	996.507	NA	PeJP	NA	NA
+PJ123824	PCFRRRY 	C44H68N16O9S	996.5076	NA	PeJP	NA	NA
+PJ123825	FFRRWW 	C52H64N14O7	996.5083	NA	PeJP	NA	NA
+PJ123826	SSSSSSSLKK 	C39H72N12O18	996.5088	NA	PeJP	NA	NA
+PJ123827	GSSTKKKMM 	C40H76N12O13S2	996.5097	NA	PeJP	NA	NA
+PJ123828	SSSNKRRY 	C40H68N16O14	996.5101	NA	PeJP	NA	NA
+PJ123829	GGGAPPTERR 	C40H68N16O14	996.5102	NA	PeJP	NA	NA
+PJ123830	LKKEMYW 	C48H72N10O11S	996.5103	NA	PeJP	NA	NA
+PJ123831	CLMRRRY 	C41H72N16O9S2	996.511	NA	PeJP	NA	NA
+PJ123832	GPTHHHRR 	C41H64N20O10	996.5115	NA	PeJP	NA	NA
+PJ123833	STLKKEEY 	C44H72N10O16	996.5128	NA	PeJP	NA	NA
+PJ123834	SPLKKMMY 	C45H76N10O11S2	996.5137	NA	PeJP	NA	NA
+PJ123835	QQQKFRY 	C45H68N14O12	996.5141	NA	PeJP	NA	NA
+PJ123836	LKEEHRW 	C45H68N14O12	996.5142	NA	PeJP	NA	NA
+PJ123837	PPVLMFFF 	C53H72N8O9S	996.5143	NA	PeJP	NA	NA
+PJ123838	NQMHRRR 	C38H68N20O10S	996.5148	NA	PeJP	NA	NA
+PJ123839	GGQMHRRR 	C38H68N20O10S	996.5149	NA	PeJP	NA	NA
+PJ123840	PKHHHRW 	C46H64N18O8	996.5155	NA	PeJP	NA	NA
+PJ123841	TTTTTTLKM 	C41H76N10O16S	996.5162	NA	PeJP	NA	NA
+PJ123842	SPLLLEYY 	C49H72N8O14	996.5168	NA	PeJP	NA	NA
+PJ123843	GTTLMRRY 	C42H72N14O12S	996.5175	NA	PeJP	NA	NA
+PJ123844	GGGGGPPVLMR 	C42H72N14O12S	996.5176	NA	PeJP	NA	NA
+PJ123845	PVLLMMFF 	C50H76N8O9S2	996.5177	NA	PeJP	NA	NA
+PJ123846	VLKEHWW 	C50H68N12O10	996.5182	NA	PeJP	NA	NA
+PJ123847	VLLLMMMF 	C47H80N8O9S3	996.5211	NA	PeJP	NA	NA
+PJ123848	SPPNDRRR 	C39H68N18O13	996.5214	NA	PeJP	NA	NA
+PJ123849	TLKMRYW 	C47H72N12O10S	996.5215	NA	PeJP	NA	NA
+PJ123850	GGKKKMYW 	C47H72N12O10S	996.5216	NA	PeJP	NA	NA
+PJ123851	PPLLWWW 	C55H68N10O8	996.5222	NA	PeJP	NA	NA
+PJ123852	STTLKERY 	C43H72N12O15	996.524	NA	PeJP	NA	NA
+PJ123853	GGSTKKKEY 	C43H72N12O15	996.5241	NA	PeJP	NA	NA
+PJ123854	GVLKMMRY 	C44H76N12O10S2	996.5249	NA	PeJP	NA	NA
+PJ123855	TLEHRRW 	C44H68N16O11	996.5254	NA	PeJP	NA	NA
+PJ123856	CNHRRRR 	C37H68N22O9S	996.5261	NA	PeJP	NA	NA
+PJ123857	SSSTTKKKM 	C40H76N12O15S	996.5274	NA	PeJP	NA	NA
+PJ123858	SSTLLKYW 	C48H72N10O13	996.5281	NA	PeJP	NA	NA
+PJ123859	TCKKKKMM 	C41H80N12O10S3	996.5283	NA	PeJP	NA	NA
+PJ123860	GSCKKRRY 	C41H72N16O11S	996.5288	NA	PeJP	NA	NA
+MJ099246	13,28-Epoxy-11,21-oleanadiene-3,16,23-triol, 16-Propanoyl, 3-O-[?-D-glucopyranosyl-(1?2)-[?-D-glucopyranosyl-(1?3)]-?-D-fucopyranoside] 	C51H80O19	996.52938	NA	MeJP	NA	NA
+MJ099247	3,8,12,14,16-Pentahydroxypregn-5-en-20-one, 12-Tigloyl, 3-O-[?-D-oleandropyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranosyl-(1?4)-?-D-digitoxopyranoside] 	C51H80O19	996.52938	NA	MeJP	NA	NA
+MJ099248	Spirost-5-en-3-ol, 3-O-[3-Methylglutaryl-(?4)-?-L-rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-?-D-glucopyranoside] 	C51H80O19	996.52938	NA	MeJP	NA	NA
+PJ123861	SLLHRWW 	C49H68N14O9	996.5294	NA	PeJP	NA	NA
+PJ123862	SVLKKEMY 	C45H76N10O13S	996.5314	NA	PeJP	NA	NA
+PJ123863	LLLLEEMH 	C45H76N10O13S	996.5315	NA	PeJP	NA	NA
+PJ123864	PPVVLFYY 	C53H72N8O11	996.5321	NA	PeJP	NA	NA
+PJ123865	GSTQHRRR 	C38H68N20O12	996.5326	NA	PeJP	NA	NA
+PJ123866	AALLMHRW 	C46H72N14O9S	996.5328	NA	PeJP	NA	NA
+PJ123867	STTTLRRY 	C42H72N14O14	996.5353	NA	PeJP	NA	NA
+PJ123868	PVVLLMYY 	C50H76N8O11S	996.5355	NA	PeJP	NA	NA
+PJ123869	LKMMRRY 	C43H76N14O9S2	996.5362	NA	PeJP	NA	NA
+PJ123870	SQKHRRW 	C43H68N18O10	996.5366	NA	PeJP	NA	NA
+PJ123871	TLLLLMMY 	C47H80N8O11S2	996.5388	NA	PeJP	NA	NA
+PJ123872	GSTKKKYW 	C47H72N12O12	996.5393	NA	PeJP	NA	NA
+PJ123873	LEMHRRR 	C40H72N18O10S	996.54	NA	PeJP	NA	NA
+PJ123874	GKKHRWW 	C48H68N16O8	996.5407	NA	PeJP	NA	NA
+PJ123875	SSLLKMRY 	C44H76N12O12S	996.5427	NA	PeJP	NA	NA
+PJ123876	SPPVLLWW 	C52H72N10O10	996.5433	NA	PeJP	NA	NA
+PJ123877	VLMHRRW 	C45H72N16O8S	996.544	NA	PeJP	NA	NA
+PJ123878	SSLLEHRR 	C41H72N16O13	996.5465	NA	PeJP	NA	NA
+PJ123879	GGGGGGAAPLKR 	C41H72N16O13	996.5466	NA	PeJP	NA	NA
+PJ123880	PPLLLQMW 	C49H76N10O10S	996.5467	NA	PeJP	NA	NA
+PJ123881	AALHHHRR 	C42H68N20O9	996.5479	NA	PeJP	NA	NA
+PJ123882	SSSSLLLKY 	C45H76N10O15	996.5492	NA	PeJP	NA	NA
+PJ123883	ALLKKMMY 	C46H80N10O10S2	996.5501	NA	PeJP	NA	NA
+PJ123884	ATTLLHRW 	C46H72N14O11	996.5505	NA	PeJP	NA	NA
+PJ123885	GPPKKERW 	C46H72N14O11	996.5506	NA	PeJP	NA	NA
+PJ123886	GPPCRRRR 	C39H72N20O9S	996.5512	NA	PeJP	NA	NA
+PJ123887	ALLLLEYY 	C50H76N8O13	996.5532	NA	PeJP	NA	NA
+PJ123888	GSKKKMRY 	C43H76N14O11S	996.5539	NA	PeJP	NA	NA
+PJ123889	GPPVKKWW 	C51H72N12O9	996.5546	NA	PeJP	NA	NA
+PJ123890	GPVQERRR 	C40H72N18O12	996.5578	NA	PeJP	NA	NA
+PJ123891	PPVVLMRW 	C48H76N12O9S	996.5579	NA	PeJP	NA	NA
+PJ123892	VHHHRRR 	C41H68N22O8	996.5591	NA	PeJP	NA	NA
+PJ123893	SSKKKKEY 	C44H76N12O14	996.5604	NA	PeJP	NA	NA
+PJ123894	GAPLLLEER 	C44H76N12O14	996.5605	NA	PeJP	NA	NA
+PJ123895	GKKKKMMF 	C45H80N12O9S2	996.5613	NA	PeJP	NA	NA
+PJ123896	GPPTKRRW 	C45H72N16O10	996.5618	NA	PeJP	NA	NA
+PJ123897	PVLLLQEW 	C49H76N10O12	996.5645	NA	PeJP	NA	NA
+PJ123898	SVVLMHRR 	C42H76N16O10S	996.5651	NA	PeJP	NA	NA
+PJ123899	ATLLMHRR 	C42H76N16O10S	996.5652	NA	PeJP	NA	NA
+MJ099249	Antibiotic SNA 4606-1 	C52H84O18	996.565765	NA	MeJP	NA	NA
+PJ123900	PPKKRWW 	C50H72N14O8	996.5658	NA	PeJP	NA	NA
+PJ123901	TTLLKKMY 	C46H80N10O12S	996.5678	NA	PeJP	NA	NA
+PJ123902	PVVLLFFY 	C54H76N8O10	996.5685	NA	PeJP	NA	NA
+PJ123903	PQERRRR 	C39H72N20O11	996.569	NA	PeJP	NA	NA
+PJ123904	LKMFFRR 	C47H76N14O8S	996.5692	NA	PeJP	NA	NA
+PJ123905	SSTKKKRY 	C43H76N14O13	996.5717	NA	PeJP	NA	NA
+PJ123906	VVLLLMFY 	C51H80N8O10S	996.5719	NA	PeJP	NA	NA
+PJ123907	PVQRRRW 	C44H72N18O9	996.573	NA	PeJP	NA	NA
+PJ123908	APLLLERW 	C48H76N12O11	996.5757	NA	PeJP	NA	NA
+PJ123909	GPPKMRRR 	C41H76N18O9S	996.5764	NA	PeJP	NA	NA
+PJ123910	ATKKKKMY 	C45H80N12O11S	996.5791	NA	PeJP	NA	NA
+PJ123911	GPLLLLWW 	C53H76N10O9	996.5797	NA	PeJP	NA	NA
+PJ123912	TTTLLHRR 	C42H76N16O12	996.5829	NA	PeJP	NA	NA
+PJ123913	PPLLLKMW 	C50H80N10O9S	996.5831	NA	PeJP	NA	NA
+PJ123914	APRRRRW 	C43H72N20O8	996.5842	NA	PeJP	NA	NA
+PJ123915	GPVLLLKEE 	C46H80N10O14	996.5856	NA	PeJP	NA	NA
+PJ123916	SPPVKKRW 	C47H76N14O10	996.5869	NA	PeJP	NA	NA
+PJ123917	SLLLLLYY 	C51H80N8O12	996.5896	NA	PeJP	NA	NA
+PJ123918	SLLLKMHR 	C44H80N14O10S	996.5903	NA	PeJP	NA	NA
+PJ123919	GPVKERRR 	C41H76N18O11	996.5941	NA	PeJP	NA	NA
+PJ123920	APVDKRRR 	C41H76N18O11	996.5942	NA	PeJP	NA	NA
+PJ123921	TTTKKKKY 	C45H80N12O13	996.5968	NA	PeJP	NA	NA
+PJ123922	GGGGGGALLLLL 	C45H80N12O13	996.5969	NA	PeJP	NA	NA
+7566	ACE inhibitor	VRGPFPIIV	996.598	antioxidative	Inhouse_peptide	NA	peptide
+PJ123923	AAPLKRRW 	C46H76N16O9	996.5982	NA	PeJP	NA	NA
+PJ123924	AAPTLLLLW 	C50H80N10O11	996.6008	NA	PeJP	NA	NA
+PJ123925	PVLLLKEW 	C50H80N10O11	996.6009	NA	PeJP	NA	NA
+PJ123926	PPCLKKRR 	C43H80N16O9S	996.6015	NA	PeJP	NA	NA
+PJ123927	SPPVLLLKM 	C47H84N10O11S	996.6042	NA	PeJP	NA	NA
+PJ123928	VVLLLFFF 	C55H80N8O9	996.6049	NA	PeJP	NA	NA
+PJ123929	PKERRRR 	C40H76N20O10	996.6054	NA	PeJP	NA	NA
+PJ123930	PTLLLERR 	C44H80N14O12	996.6081	NA	PeJP	NA	NA
+PJ123931	PVKRRRW 	C45H76N18O8	996.6094	NA	PeJP	NA	NA
+PJ123932	SPLLLLRW 	C49H80N12O10	996.6121	NA	PeJP	NA	NA
+PJ123933	AAPLLLLMR 	C46H84N12O10S	996.6155	NA	PeJP	NA	NA
+PJ123934	PTRRRRR 	C39H76N22O9	996.6166	NA	PeJP	NA	NA
+PJ123935	APLKKERR 	C43H80N16O11	996.6193	NA	PeJP	NA	NA
+PJ123936	APTLLLLKE 	C47H84N10O13	996.622	NA	PeJP	NA	NA
+PJ123937	GPLLKKRW 	C48H80N14O9	996.6233	NA	PeJP	NA	NA
+PJ123938	PVLLLMRR 	C45H84N14O9S	996.6267	NA	PeJP	NA	NA
+PJ123939	APTLKRRR 	C42H80N18O10	996.6305	NA	PeJP	NA	NA
+PJ123940	LLLLLQER 	C46H84N12O12	996.6332	NA	PeJP	NA	NA
+PJ123941	VLLLLLQW 	C51H84N10O10	996.6372	NA	PeJP	NA	NA
+PJ123942	GPLLLLLKM 	C48H88N10O10S	996.6406	NA	PeJP	NA	NA
+PJ123943	LLQRRRR 	C41H80N20O9	996.6418	NA	PeJP	NA	NA
+PJ123944	PVLKKKER 	C45H84N14O11	996.6444	NA	PeJP	NA	NA
+PJ123945	VVLLLERR 	C45H84N14O11	996.6445	NA	PeJP	NA	NA
+PJ123946	ALLLLLRW 	C50H84N12O9	996.6485	NA	PeJP	NA	NA
+PJ123947	VVRRRRR 	C40H80N22O8	996.653	NA	PeJP	NA	NA
+PJ123948	SPLLKKRR 	C44H84N16O10	996.6557	NA	PeJP	NA	NA
+PJ123949	GVLLLLLKE 	C48H88N10O12	996.6584	NA	PeJP	NA	NA
+PJ123950	GVLLKRRR 	C43H84N18O9	996.6669	NA	PeJP	NA	NA
+PJ123951	LLLLLKER 	C47H88N12O11	996.6696	NA	PeJP	NA	NA
+PJ123952	VLLLLLKW 	C52H88N10O9	996.6736	NA	PeJP	NA	NA
+PJ123953	LLKRRRR 	C42H84N20O8	996.6782	NA	PeJP	NA	NA
+PJ123954	TLLLLLRR 	C46H88N14O10	996.6808	NA	PeJP	NA	NA
+PJ123955	ALLLKKRR 	C45H88N16O9	996.6921	NA	PeJP	NA	NA
+PJ123956	ATLLLLLLK 	C49H92N10O11	996.6947	NA	PeJP	NA	NA
+PJ123957	SVVLLLLLK 	C49H92N10O11	996.6948	NA	PeJP	NA	NA
+PJ123958	AALLLLKKK 	C48H92N12O10	996.706	NA	PeJP	NA	NA
+PJ123959	VLLLKKKR 	C47H92N14O9	996.7172	NA	PeJP	NA	NA
+HMDB10560	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C67H96O6	996.720703	NA	HMDB2010	NA	NA
+PJ123960	CCCCCCDDM 	C31H51N9O14S7	997.1601	NA	PeJP	NA	NA
+PJ123961	GSCCCCCCCN 	C30H51N11O13S7	997.1713	NA	PeJP	NA	NA
+PJ123962	SCCCCCDMM 	C32H55N9O13S7	997.1965	NA	PeJP	NA	NA
+PJ123963	GCCCCCDEY 	C35H51N9O15S5	997.2109	NA	PeJP	NA	NA
+PJ123964	ACCCCCMMM 	C33H59N9O10S8	997.2151	NA	PeJP	NA	NA
+PJ123965	SCCCCCCHH 	C33H51N13O11S6	997.2156	NA	PeJP	NA	NA
+PJ123966	PCCCCCDDH 	C34H51N11O14S5	997.2221	NA	PeJP	NA	NA
+PJ123967	CCCCCDYW 	C39H51N9O12S5	997.2261	NA	PeJP	NA	NA
+PJ123968	SSCCCCDDY 	C35H51N9O17S4	997.2286	NA	PeJP	NA	NA
+PJ123969	PTCCCCCCY 	C36H55N9O12S6	997.2295	NA	PeJP	NA	NA
+PJ123970	SSCCCCMMM 	C33H59N9O12S7	997.2328	NA	PeJP	NA	NA
+PJ123971	TTCCCCCMM 	C33H59N9O12S7	997.2329	NA	PeJP	NA	NA
+PJ123972	GCCCDDDMH 	C34H51N11O16S4	997.2399	NA	PeJP	NA	NA
+PJ123973	CCCCCMFW 	C40H55N9O9S6	997.2447	NA	PeJP	NA	NA
+PJ123974	GCDDDDDDE 	C34H47N9O24S	997.2455	NA	PeJP	NA	NA
+PJ123975	GSCCCCEMY 	C36H55N9O14S5	997.2472	NA	PeJP	NA	NA
+PJ123976	SCCCCNNDH 	C33H51N13O15S4	997.2511	NA	PeJP	NA	NA
+PJ123977	CCCCDEHW 	C38H51N11O13S4	997.2551	NA	PeJP	NA	NA
+PJ123978	SSCCCDDEH 	C34H51N11O18S3	997.2576	NA	PeJP	NA	NA
+PJ123979	SPCCCCDMH 	C35H55N11O13S5	997.2585	NA	PeJP	NA	NA
+PJ123980	CDDDDDDW 	C38H47N9O21S	997.2608	NA	PeJP	NA	NA
+PJ123981	CCCNDDYY 	C39H51N9O16S3	997.2616	NA	PeJP	NA	NA
+PJ123982	SCCCCMYW 	C40H55N9O11S5	997.2625	NA	PeJP	NA	NA
+PJ123983	SSDDDDDDD 	C34H47N9O26	997.2633	NA	PeJP	NA	NA
+PJ123984	SPCCDDDDE 	C35H51N9O21S2	997.2641	NA	PeJP	NA	NA
+PJ123985	SSSCCCDMY 	C36H55N9O16S4	997.265	NA	PeJP	NA	NA
+PJ123986	CCCNMMMY 	C37H59N9O11S6	997.2659	NA	PeJP	NA	NA
+PJ123987	GCCCCNQMH 	C34H55N13O12S5	997.2697	NA	PeJP	NA	NA
+PJ123988	GCNNDDDDM 	C34H51N11O20S2	997.2754	NA	PeJP	NA	NA
+PJ123989	GSCCDDMMH 	C35H55N11O15S4	997.2762	NA	PeJP	NA	NA
+PJ123990	APCCCCMMH 	C36H59N11O10S6	997.2771	NA	PeJP	NA	NA
+PJ123991	GSPCCCCYY 	C40H55N9O13S4	997.2803	NA	PeJP	NA	NA
+PJ123992	GCCCCCNHR 	C33H55N15O11S5	997.281	NA	PeJP	NA	NA
+PJ123993	GSDDDDDEM 	C35H51N9O23S	997.2819	NA	PeJP	NA	NA
+PJ123994	GPCDDDDMM 	C36H55N9O18S3	997.2828	NA	PeJP	NA	NA
+PJ123995	GSTCCCMMY 	C37H59N9O13S5	997.2836	NA	PeJP	NA	NA
+PJ123996	SCCNNNNDD 	C33H51N13O19S2	997.2866	NA	PeJP	NA	NA
+PJ123997	SSCCCNNMH 	C34H55N13O14S4	997.2875	NA	PeJP	NA	NA
+PJ123998	CCNNDDEW 	C38H51N11O17S2	997.2906	NA	PeJP	NA	NA
+PJ123999	SCCCEMHW 	C39H55N11O12S4	997.2915	NA	PeJP	NA	NA
+PJ124000	SSCNNDDDE 	C34H51N11O22S	997.2931	NA	PeJP	NA	NA
+PJ124001	SSSCCDEMH 	C35H55N11O17S3	997.294	NA	PeJP	NA	NA
+PJ124002	CCNEMMMH 	C36H59N11O12S5	997.2949	NA	PeJP	NA	NA
+PJ124003	GSCCCDHHH 	C36H51N15O13S3	997.2953	NA	PeJP	NA	NA
+PJ124004	ACCCCFYW 	C44H55N9O10S4	997.2955	NA	PeJP	NA	NA
+PJ124005	SDDDDDMW 	C39H51N9O20S	997.2972	NA	PeJP	NA	NA
+PJ124006	PCCDDEMW 	C40H55N9O15S3	997.298	NA	PeJP	NA	NA
+PJ124007	CCCNMMFF 	C41H59N9O10S5	997.2989	NA	PeJP	NA	NA
+PJ124008	SSSDDDDEE 	C35H51N9O25	997.2996	NA	PeJP	NA	NA
+PJ124009	NDDDEEMM 	C36H55N9O20S2	997.3005	NA	PeJP	NA	NA
+PJ124010	SSSSCCMMY 	C37H59N9O15S4	997.3014	NA	PeJP	NA	NA
+PJ124011	GPCCDDDHH 	C37H51N13O16S2	997.3019	NA	PeJP	NA	NA
+PJ124012	GSSSSCCCQH 	C34H55N13O16S3	997.3052	NA	PeJP	NA	NA
+PJ124013	GGGGGGGCCNEM 	C34H55N13O16S3	997.3053	NA	PeJP	NA	NA
+PJ124014	GCCNDDWW 	C42H51N11O14S2	997.3059	NA	PeJP	NA	NA
+PJ124015	CCCDMMHR 	C35H59N13O11S5	997.3061	NA	PeJP	NA	NA
+PJ124016	PCCCCHFW 	C43H55N11O9S4	997.3068	NA	PeJP	NA	NA
+PJ124017	GSSCNDDDW 	C38H51N11O19S	997.3084	NA	PeJP	NA	NA
+PJ124018	GSPCCCNEW 	C39H55N11O14S3	997.3092	NA	PeJP	NA	NA
+PJ124019	GGGSPCCCEW 	C39H55N11O14S3	997.3093	NA	PeJP	NA	NA
+PJ124020	GCCMMMHW 	C40H59N11O9S5	997.3101	NA	PeJP	NA	NA
+PJ124021	GSSSSNDDDD 	C34H51N11O24	997.3109	NA	PeJP	NA	NA
+PJ124022	ASCNNDDEM 	C35H55N11O19S2	997.3117	NA	PeJP	NA	NA
+PJ124023	CDDDDEMR 	C35H55N11O19S2	997.3118	NA	PeJP	NA	NA
+PJ124024	GSSCDMMMH 	C36H59N11O14S4	997.3126	NA	PeJP	NA	NA
+PJ124025	GTCCCYYW 	C44H55N9O12S3	997.3133	NA	PeJP	NA	NA
+PJ124026	CCCQMHHH 	C37H55N15O10S4	997.314	NA	PeJP	NA	NA
+PJ124027	GSPDDDDDY 	C39H51N9O22	997.3149	NA	PeJP	NA	NA
+PJ124028	GDDDEMMW 	C40H55N9O17S2	997.3158	NA	PeJP	NA	NA
+PJ124029	GCCCNNNDR 	C33H55N15O15S3	997.3165	NA	PeJP	NA	NA
+PJ124030	GCCQMMYY 	C41H59N9O12S4	997.3166	NA	PeJP	NA	NA
+PJ124031	PPPCCCCEF 	C41H59N9O12S4	997.3167	NA	PeJP	NA	NA
+PJ124032	GSSDDEEEM 	C36H55N9O22S	997.3183	NA	PeJP	NA	NA
+PJ124033	ASPCCEEEM 	C37H59N9O17S3	997.3191	NA	PeJP	NA	NA
+PJ124034	GSPDDDMMM 	C37H59N9O17S3	997.3192	NA	PeJP	NA	NA
+PJ124035	NDDDDMHH 	C37H51N13O18S	997.3196	NA	PeJP	NA	NA
+PJ124036	GPPCCEMMM 	C38H63N9O12S5	997.32	NA	PeJP	NA	NA
+PJ124037	CCNNNNMW 	C38H55N13O13S3	997.3205	NA	PeJP	NA	NA
+PJ124038	GSCCNDDER 	C34H55N13O18S2	997.323	NA	PeJP	NA	NA
+PJ124039	GPCCCNDMR 	C35H59N13O13S4	997.3239	NA	PeJP	NA	NA
+PJ124040	SPCCCNWW 	C43H55N11O11S3	997.3245	NA	PeJP	NA	NA
+PJ124041	CCCCHHHR 	C36H55N17O9S4	997.3252	NA	PeJP	NA	NA
+PJ124042	NNNDDDEY 	C38H51N11O21	997.3261	NA	PeJP	NA	NA
+PJ124043	GGGGNDDDEY 	C38H51N11O21	997.3262	NA	PeJP	NA	NA
+PJ124044	SCNNDEMW 	C39H55N11O16S2	997.327	NA	PeJP	NA	NA
+PJ124045	STCCMMHW 	C40H59N11O11S4	997.3279	NA	PeJP	NA	NA
+PJ124046	SSSNNDDEM 	C35H55N11O21S	997.3295	NA	PeJP	NA	NA
+PJ124047	GDDDDEFW 	C43H51N9O19	997.3302	NA	PeJP	NA	NA
+PJ124048	SSSSCEMMH 	C36H59N11O16S3	997.3304	NA	PeJP	NA	NA
+PJ124049	GSCNNDDHH 	C36H51N15O17S	997.3309	NA	PeJP	NA	NA
+PJ124050	DDDMMWW 	C44H55N9O14S2	997.331	NA	PeJP	NA	NA
+PJ124051	SCQMMMMH 	C37H63N11O11S5	997.3312	NA	PeJP	NA	NA
+PJ124052	CCDKMMMH 	C37H63N11O11S5	997.3313	NA	PeJP	NA	NA
+PJ124053	GSSCCMHHH 	C37H55N15O12S3	997.3317	NA	PeJP	NA	NA
+PJ124054	SSDDEEMW 	C40H55N9O19S	997.3335	NA	PeJP	NA	NA
+PJ124055	SPCDEMMW 	C41H59N9O14S3	997.3344	NA	PeJP	NA	NA
+PJ124056	GCDDEHHW 	C41H51N13O15S	997.3349	NA	PeJP	NA	NA
+PJ124057	PPCCMMMW 	C42H63N9O9S5	997.3353	NA	PeJP	NA	NA
+PJ124058	SSSSDEEEE 	C36H55N9O24	997.336	NA	PeJP	NA	NA
+PJ124059	SNEEEEMM 	C37H59N9O19S2	997.3369	NA	PeJP	NA	NA
+PJ124060	GSSDDDEHH 	C37H51N13O20	997.3374	NA	PeJP	NA	NA
+PJ124061	DDEMYYY 	C45H55N7O17S	997.3375	NA	PeJP	NA	NA
+PJ124062	PNDEMMMM 	C38H63N9O14S4	997.3378	NA	PeJP	NA	NA
+PJ124063	SCCNDDRW 	C38H55N13O15S2	997.3382	NA	PeJP	NA	NA
+PJ124064	GGGGGSSCCQW 	C38H55N13O15S2	997.3383	NA	PeJP	NA	NA
+PJ124065	PCCCCQRW 	C39H59N13O10S4	997.3391	NA	PeJP	NA	NA
+PJ124066	SSSCNDDDR 	C34H55N13O20S	997.3407	NA	PeJP	NA	NA
+PJ124067	GGSSSCDDDR 	C34H55N13O20S	997.3408	NA	PeJP	NA	NA
+PJ124068	GNNDDDYW 	C42H51N11O18	997.3414	NA	PeJP	NA	NA
+PJ124069	CNNDDMMR 	C35H59N13O15S3	997.3416	NA	PeJP	NA	NA
+PJ124070	EMMMMYY 	C43H63N7O12S4	997.3418	NA	PeJP	NA	NA
+PJ124071	GSCNDMWW 	C43H55N11O13S2	997.3423	NA	PeJP	NA	NA
+PJ124072	SCCMMMHR 	C36H63N13O10S5	997.3425	NA	PeJP	NA	NA
+PJ124073	GSSSNDDMW 	C39H55N11O18S	997.3448	NA	PeJP	NA	NA
+PJ124074	DDDDFWW 	C47H51N9O16	997.3454	NA	PeJP	NA	NA
+PJ124075	GNNDMMMW 	C40H59N11O13S3	997.3456	NA	PeJP	NA	NA
+PJ124076	GGGGGDMMMW 	C40H59N11O13S3	997.3457	NA	PeJP	NA	NA
+PJ124077	CCNFYYW 	C48H55N9O11S2	997.3463	NA	PeJP	NA	NA
+PJ124078	GSSSSSNDEE 	C35H55N11O23	997.3473	NA	PeJP	NA	NA
+PJ124079	SDDDEMMR 	C36H59N11O18S2	997.3481	NA	PeJP	NA	NA
+PJ124080	GGGGGSSEEMM 	C36H59N11O18S2	997.3482	NA	PeJP	NA	NA
+PJ124081	GPDDDMYW 	C44H55N9O16S	997.3488	NA	PeJP	NA	NA
+PJ124082	PCDDMMMR 	C37H63N11O13S4	997.349	NA	PeJP	NA	NA
+PJ124083	SSSTCCHHH 	C37H55N15O14S2	997.3495	NA	PeJP	NA	NA
+PJ124084	PPCCDMFW 	C45H59N9O11S3	997.3497	NA	PeJP	NA	NA
+PJ124085	CDDHHWW 	C45H51N13O12S	997.3501	NA	PeJP	NA	NA
+PJ124086	CCCKMHHH 	C38H59N15O9S4	997.3504	NA	PeJP	NA	NA
+PJ124087	GNEEEEEY 	C40H55N9O21	997.3513	NA	PeJP	NA	NA
+PJ124088	GSSSTCMYY 	C41H59N9O16S2	997.3521	NA	PeJP	NA	NA
+PJ124089	GSEEEMMW 	C41H59N9O16S2	997.3522	NA	PeJP	NA	NA
+PJ124090	SSDDDHHW 	C41H51N13O17	997.3526	NA	PeJP	NA	NA
+PJ124091	CCCNDERR 	C34H59N15O14S3	997.3528	NA	PeJP	NA	NA
+PJ124092	GGCCCDERR 	C34H59N15O14S3	997.3529	NA	PeJP	NA	NA
+PJ124093	GPDMMMMW 	C42H63N9O11S4	997.353	NA	PeJP	NA	NA
+PJ124094	SPCCEHHW 	C42H55N13O12S2	997.3535	NA	PeJP	NA	NA
+PJ124095	GSSTEEEEM 	C37H59N9O21S	997.3547	NA	PeJP	NA	NA
+PJ124096	AQEEEMMM 	C38H63N9O16S3	997.3555	NA	PeJP	NA	NA
+PJ124097	SSSSCNNNW 	C38H55N13O17S	997.356	NA	PeJP	NA	NA
+PJ124098	DEMMFYY 	C46H59N7O14S2	997.3562	NA	PeJP	NA	NA
+PJ124099	GPPTCMMMM 	C39H67N9O11S5	997.3564	NA	PeJP	NA	NA
+PJ124100	GCCNEMRW 	C39H59N13O12S3	997.3569	NA	PeJP	NA	NA
+PJ124101	SCCQWWW 	C47H55N11O10S2	997.3575	NA	PeJP	NA	NA
+PJ124102	SSSSSSNNND 	C34H55N13O22	997.3585	NA	PeJP	NA	NA
+PJ124103	SSSCNNQQM 	C35H59N13O17S2	997.3593	NA	PeJP	NA	NA
+PJ124104	GSSCNDEMR 	C35H59N13O17S2	997.3594	NA	PeJP	NA	NA
+PJ124105	SSSCNEWW 	C43H55N11O15S	997.36	NA	PeJP	NA	NA
+PJ124106	GSPCCNMMR 	C36H63N13O12S4	997.3602	NA	PeJP	NA	NA
+PJ124107	GGGSPCCMMR 	C36H63N13O12S4	997.3603	NA	PeJP	NA	NA
+PJ124108	CCNNDHHR 	C36H55N17O13S2	997.3607	NA	PeJP	NA	NA
+PJ124109	CNQMMWW 	C44H59N11O10S3	997.3609	NA	PeJP	NA	NA
+PJ124110	SSSSSNDEW 	C39H55N11O20	997.3625	NA	PeJP	NA	NA
+PJ124111	SSNNEMMW 	C40H59N11O15S2	997.3634	NA	PeJP	NA	NA
+PJ124112	PCDEYWW 	C48H55N9O13S	997.364	NA	PeJP	NA	NA
+PJ124113	PCCCQKMW 	C41H63N11O10S4	997.3643	NA	PeJP	NA	NA
+PJ124114	GCNNMHHW 	C41H55N15O11S2	997.3647	NA	PeJP	NA	NA
+PJ124115	GGGGGCMHHW 	C41H55N15O11S2	997.3648	NA	PeJP	NA	NA
+PJ124116	SSSSNQEEM 	C36H59N11O20S	997.3659	NA	PeJP	NA	NA
+PJ124117	NEEEEYW 	C44H55N9O18	997.3665	NA	PeJP	NA	NA
+PJ124118	GGEEEEYW 	C44H55N9O18	997.3666	NA	PeJP	NA	NA
+PJ124119	SPTTCCQQM 	C37H63N11O15S3	997.3667	NA	PeJP	NA	NA
+PJ124120	GDEEMMMR 	C37H63N11O15S3	997.3668	NA	PeJP	NA	NA
+PJ124121	SCDDEHHR 	C37H55N15O16S	997.3672	NA	PeJP	NA	NA
+PJ124122	GGGGGSSDMHH 	C37H55N15O16S	997.3673	NA	PeJP	NA	NA
+PJ124123	SEEMMWW 	C45H59N9O13S2	997.3674	NA	PeJP	NA	NA
+PJ124124	SCKMMMMH 	C38H67N11O10S5	997.3676	NA	PeJP	NA	NA
+PJ124125	GCCCDRRW 	C38H59N15O11S3	997.3681	NA	PeJP	NA	NA
+PJ124126	SSTEEEMW 	C41H59N9O18S	997.3699	NA	PeJP	NA	NA
+PJ124127	PDDYYYY 	C49H55N7O16	997.3706	NA	PeJP	NA	NA
+PJ124128	AAEEMMMW 	C42H63N9O13S3	997.3708	NA	PeJP	NA	NA
+PJ124129	GCNNNQYW 	C42H55N13O14S	997.3712	NA	PeJP	NA	NA
+PJ124130	GGGCNNQYW 	C42H55N13O14S	997.3713	NA	PeJP	NA	NA
+PJ124131	GPTCCCCRR 	C35H63N15O11S4	997.3715	NA	PeJP	NA	NA
+PJ124132	CCNMRWW 	C43H59N13O9S3	997.3721	NA	PeJP	NA	NA
+PJ124133	SSSTTEEEE 	C37H59N9O23	997.3724	NA	PeJP	NA	NA
+PJ124134	SDKEEEMM 	C38H63N9O18S2	997.3733	NA	PeJP	NA	NA
+PJ124135	GSSNNNNEY 	C38H55N13O19	997.3737	NA	PeJP	NA	NA
+PJ124136	SNNDDDRY 	C38H55N13O19	997.3738	NA	PeJP	NA	NA
+PJ124137	TEEMYYY 	C46H59N7O16S	997.3739	NA	PeJP	NA	NA
+PJ124138	PTQEMMMM 	C39H67N9O13S4	997.3742	NA	PeJP	NA	NA
+PJ124139	SSCNDMRW 	C39H59N13O14S2	997.3746	NA	PeJP	NA	NA
+PJ124140	GGGGGGGGNMMF 	C39H59N13O14S2	997.3747	NA	PeJP	NA	NA
+PJ124141	PMMMYYY 	C47H63N7O11S3	997.3748	NA	PeJP	NA	NA
+PJ124142	SNDDHHHH 	C39H51N17O15	997.3751	NA	PeJP	NA	NA
+PJ124143	GSSSCWWW 	C47H55N11O12S	997.3753	NA	PeJP	NA	NA
+PJ124144	PCCCCKRW 	C40H63N13O9S4	997.3755	NA	PeJP	NA	NA
+PJ124145	PCCQHHHH 	C40H55N17O10S2	997.376	NA	PeJP	NA	NA
+PJ124146	SSSSNDDMR 	C35H59N13O19S	997.3771	NA	PeJP	NA	NA
+PJ124147	GSSSSSDWW 	C43H55N11O17	997.3778	NA	PeJP	NA	NA
+PJ124148	SNNDMMMR 	C36H63N13O14S3	997.378	NA	PeJP	NA	NA
+PJ124149	GSSNMMWW 	C44H59N11O12S2	997.3786	NA	PeJP	NA	NA
+PJ124150	GGGSSMMWW 	C44H59N11O12S2	997.3787	NA	PeJP	NA	NA
+PJ124151	GSSSSQEMW 	C40H59N11O17S	997.3811	NA	PeJP	NA	NA
+PJ124152	GGGSSSTEMW 	C40H59N11O17S	997.3812	NA	PeJP	NA	NA
+PJ124153	GEEEYWW 	C48H55N9O15	997.3818	NA	PeJP	NA	NA
+PJ124154	DEMMMRW 	C41H63N11O12S3	997.382	NA	PeJP	NA	NA
+PJ124155	SSCNQHHW 	C41H55N15O13S	997.3825	NA	PeJP	NA	NA
+PJ124156	PCEMFWW 	C49H59N9O10S2	997.3827	NA	PeJP	NA	NA
+PJ124157	GSSSSSTQEE 	C36H59N11O22	997.3836	NA	PeJP	NA	NA
+PJ124158	GGGSSSSTTEE 	C36H59N11O22	997.3837	NA	PeJP	NA	NA
+PJ124159	SSEEEMMR 	C37H63N11O17S2	997.3845	NA	PeJP	NA	NA
+HMDB02150	O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose	C39H67NO28	997.384949	NA	HMDB2010	NA	NA
+HMDB02150	O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose	C39H67NO28	997.38495	http://www.hmdb.ca/metabolites/HMDB02150	HMDB	NA	NA
+HMDB02150	O-b-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[6-deoxy-a-L-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-O-[6-deoxy-a-L-galactopyranosyl-(1->3)]-D-Glucose	C39H67NO28	997.38495	HMDB02150	PFEM_hmdb_metabocards_official	NA	NA
+PJ124160	SSSSNNEHH 	C37H55N15O18	997.385	NA	PeJP	NA	NA
+PJ124161	GSPEEMYW 	C45H59N9O15S	997.3852	NA	PeJP	NA	NA
+PJ124162	SPDMMMMR 	C38H67N11O12S4	997.3854	NA	PeJP	NA	NA
+PJ124163	CCNNNQFR 	C38H59N15O13S2	997.3859	NA	PeJP	NA	NA
+PJ124164	VDMMMWW 	C46H63N9O10S3	997.386	NA	PeJP	NA	NA
+PJ124165	GPPPCCMFF 	C46H63N9O10S3	997.3861	NA	PeJP	NA	NA
+PJ124166	SDMHHWW 	C46H55N13O11S	997.3865	NA	PeJP	NA	NA
+PJ124167	GDKEEEEY 	C41H59N9O20	997.3877	NA	PeJP	NA	NA
+PJ124168	GSSSSSCNNR 	C34H59N15O18S	997.3884	NA	PeJP	NA	NA
+PJ124169	ATTEEMMW 	C42H63N9O15S2	997.3885	NA	PeJP	NA	NA
+PJ124170	GGPVDEMMY 	C42H63N9O15S2	997.3886	NA	PeJP	NA	NA
+PJ124171	SSNNNNYW 	C42H55N13O16	997.389	NA	PeJP	NA	NA
+PJ124172	GGGGGGGGGGDFF 	C42H55N13O16	997.3891	NA	PeJP	NA	NA
+PJ124173	PDMFYYY 	C50H59N7O13S	997.3892	NA	PeJP	NA	NA
+PJ124174	GGGGGTCCCKR 	C35H63N15O13S3	997.3893	NA	PeJP	NA	NA
+PJ124175	APTMMMMW 	C43H67N9O10S4	997.3894	NA	PeJP	NA	NA
+PJ124176	GSTCCRWW 	C43H59N13O11S2	997.3899	NA	PeJP	NA	NA
+PJ124177	GCNFWWW 	C51H55N11O9S	997.3905	NA	PeJP	NA	NA
+PJ124178	SSSSLEEEM 	C38H63N9O20S	997.391	NA	PeJP	NA	NA
+MJ099250	Aeruginoguanidines; Aeruginoguanidine 98C 	C39H67N9O15S3	997.391874	NA	MeJP	NA	NA
+PJ124179	AKEEEMMM 	C39H67N9O15S3	997.3919	NA	PeJP	NA	NA
+PJ124180	GSSSSCERW 	C39H59N13O16S	997.3924	NA	PeJP	NA	NA
+PJ124181	VEMMYYY 	C47H63N7O13S2	997.3926	NA	PeJP	NA	NA
+PJ124182	PVQMMMMM 	C40H71N9O10S5	997.3928	NA	PeJP	NA	NA
+PJ124183	SNNEYWW 	C47H55N11O14	997.393	NA	PeJP	NA	NA
+PJ124184	GGGDDHFFF 	C47H55N11O14	997.3931	NA	PeJP	NA	NA
+PJ124185	GSCQMMRW 	C40H63N13O11S3	997.3933	NA	PeJP	NA	NA
+PJ124186	GNEMHHHH 	C40H55N17O12S	997.3937	NA	PeJP	NA	NA
+PJ124187	SCCKWWW 	C48H59N11O9S2	997.3939	NA	PeJP	NA	NA
+PJ124188	GSSSSSSDER 	C35H59N13O21	997.3949	NA	PeJP	NA	NA
+PJ124189	GTTTCCQER 	C36H63N13O16S2	997.3957	NA	PeJP	NA	NA
+PJ124190	GSSSNEMMR 	C36H63N13O16S2	997.3958	NA	PeJP	NA	NA
+PJ124191	NNNNDDHR 	C36H55N17O17	997.3962	NA	PeJP	NA	NA
+PJ124192	GGGGGGNDDHR 	C36H55N17O17	997.3963	NA	PeJP	NA	NA
+PJ124193	SSSSQMWW 	C44H59N11O14S	997.3964	NA	PeJP	NA	NA
+PJ124194	GNQMMMMR 	C37H67N13O11S4	997.3966	NA	PeJP	NA	NA
+PJ124195	EEYWWW 	C52H55N9O12	997.3971	NA	PeJP	NA	NA
+PJ124196	CNKMMWW 	C45H63N11O9S3	997.3973	NA	PeJP	NA	NA
+PJ124197	GCNHHHFF 	C45H55N15O10S	997.3978	NA	PeJP	NA	NA
+PJ124198	SSSSSTQEW 	C40H59N11O19	997.3989	NA	PeJP	NA	NA
+PJ124199	SSNDKMMW 	C41H63N11O14S2	997.3998	NA	PeJP	NA	NA
+PJ124200	GSSSSNHHW 	C41H55N15O15	997.4002	NA	PeJP	NA	NA
+PJ124201	GGGSSSSHHW 	C41H55N15O15	997.4003	NA	PeJP	NA	NA
+PJ124202	SPEMYWW 	C49H59N9O12S	997.4004	NA	PeJP	NA	NA
+PJ124203	SCCCDRRR 	C34H63N17O12S3	997.4005	NA	PeJP	NA	NA
+PJ124204	PCCCKKMW 	C42H67N11O9S4	997.4007	NA	PeJP	NA	NA
+PJ124205	CEMHHRW 	C42H59N15O10S2	997.4011	NA	PeJP	NA	NA
+PJ124206	SSSSNKEEM 	C37H63N11O19S	997.4023	NA	PeJP	NA	NA
+PJ124207	DKEEEYW 	C45H59N9O17	997.4029	NA	PeJP	NA	NA
+PJ124208	SVDEMMMR 	C38H67N11O14S3	997.4031	NA	PeJP	NA	NA
+PJ124209	ATEEMMMR 	C38H67N11O14S3	997.4032	NA	PeJP	NA	NA
+PJ124210	GCNDDRRY 	C38H59N15O15S	997.4036	NA	PeJP	NA	NA
+PJ124211	GGGGGGGGGPTMH 	C38H59N15O15S	997.4037	NA	PeJP	NA	NA
+PJ124212	AAPEMMYW 	C46H63N9O12S2	997.4038	NA	PeJP	NA	NA
+PJ124213	APMMMMMR 	C39H71N11O9S5	997.404	NA	PeJP	NA	NA
+PJ124214	GSPNDHWW 	C46H55N13O13	997.4043	NA	PeJP	NA	NA
+PJ124215	GSCCMRRW 	C39H63N15O10S3	997.4045	NA	PeJP	NA	NA
+PJ124216	GCDHHHHR 	C39H55N19O11S	997.405	NA	PeJP	NA	NA
+PJ124217	AMMHHWW 	C47H59N13O8S2	997.4051	NA	PeJP	NA	NA
+PJ124218	TTTTEEMW 	C42H63N9O17S	997.4063	NA	PeJP	NA	NA
+PJ124219	PTEYYYY 	C50H59N7O15	997.4069	NA	PeJP	NA	NA
+PJ124220	GSSSCDMRR 	C35H63N15O15S2	997.407	NA	PeJP	NA	NA
+PJ124221	GTLEMMMW 	C43H67N9O12S3	997.4072	NA	PeJP	NA	NA
+PJ124222	SSSSCRWW 	C43H59N13O13S	997.4076	NA	PeJP	NA	NA
+PJ124223	GGGGDMRYW 	C43H59N13O13S	997.4077	NA	PeJP	NA	NA
+PJ124224	PMMFFYY 	C51H63N7O10S2	997.4078	NA	PeJP	NA	NA
+PJ124225	GCNMMMRR 	C36H67N15O10S4	997.4079	NA	PeJP	NA	NA
+PJ124226	GSNYWWW 	C51H55N11O11	997.4083	NA	PeJP	NA	NA
+PJ124227	STTTTTEEE 	C38H63N9O22	997.4088	NA	PeJP	NA	NA
+PJ124228	NMHHHHW 	C44H55N17O9S	997.409	NA	PeJP	NA	NA
+PJ124229	TTKEEEMM 	C39H67N9O17S2	997.4097	NA	PeJP	NA	NA
+PJ124230	SSSSSSDRW 	C39H59N13O18	997.4101	NA	PeJP	NA	NA
+PJ124231	GGGGSSEERY 	C39H59N13O18	997.4102	NA	PeJP	NA	NA
+PJ124232	PTKEMMMM 	C40H71N9O12S4	997.4105	NA	PeJP	NA	NA
+PJ124233	GGVLEMMMM 	C40H71N9O12S4	997.4106	NA	PeJP	NA	NA
+PJ124234	SSSNMMRW 	C40H63N13O13S2	997.411	NA	PeJP	NA	NA
+PJ124235	LMMMFYY 	C48H67N7O10S3	997.4112	NA	PeJP	NA	NA
+PJ124236	SSQEHHHH 	C40H55N17O14	997.4115	NA	PeJP	NA	NA
+PJ124237	ANQMYWW 	C48H59N11O11S	997.4116	NA	PeJP	NA	NA
+PJ124238	GQQMYWW 	C48H59N11O11S	997.4117	NA	PeJP	NA	NA
+PJ124239	PCCKHHHH 	C41H59N17O9S2	997.4124	NA	PeJP	NA	NA
+PJ124240	SSSSSQEMR 	C36H63N13O18S	997.4135	NA	PeJP	NA	NA
+PJ124241	ASSSSSTWW 	C44H59N11O16	997.4141	NA	PeJP	NA	NA
+PJ124242	GSSSSTTWW 	C44H59N11O16	997.4142	NA	PeJP	NA	NA
+PJ124243	SSQQMMMR 	C37H67N13O13S3	997.4144	NA	PeJP	NA	NA
+PJ124244	ASSSCNHHR 	C37H59N17O14S	997.4148	NA	PeJP	NA	NA
+PJ124245	GSSSCQHHR 	C37H59N17O14S	997.4149	NA	PeJP	NA	NA
+PJ124246	GSTCKMWW 	C45H63N11O11S2	997.415	NA	PeJP	NA	NA
+PJ124247	GGGGGVMMFW 	C45H63N11O11S2	997.4151	NA	PeJP	NA	NA
+PJ124248	NNNQHWW 	C45H55N15O12	997.4155	NA	PeJP	NA	NA
+PJ124249	PPCFYWW 	C53H59N9O9S	997.4157	NA	PeJP	NA	NA
+PJ124250	GSSSSKEMW 	C41H63N11O16S	997.4175	NA	PeJP	NA	NA
+PJ124251	GGGGAKEEMY 	C41H63N11O16S	997.4176	NA	PeJP	NA	NA
+PJ124252	SVEEYWW 	C49H59N9O14	997.4182	NA	PeJP	NA	NA
+PJ124253	GSQKMMMW 	C42H67N11O11S3	997.4184	NA	PeJP	NA	NA
+PJ124254	GPCNEHRW 	C42H59N15O12S	997.4189	NA	PeJP	NA	NA
+PJ124255	PCLMYWW 	C50H63N9O9S2	997.4191	NA	PeJP	NA	NA
+PJ124256	GEHHFWW 	C50H55N13O10	997.4195	NA	PeJP	NA	NA
+PJ124257	GSSSSSTKEE 	C37H63N11O21	997.42	NA	PeJP	NA	NA
+PJ124258	TTTEEMMR 	C38H67N11O16S2	997.4209	NA	PeJP	NA	NA
+PJ124259	GSSSNNNRY 	C38H59N15O17	997.4214	NA	PeJP	NA	NA
+PJ124260	GSSKMYYY 	C46H63N9O14S	997.4215	NA	PeJP	NA	NA
+PJ124261	LQEEMYW 	C46H63N9O14S	997.4216	NA	PeJP	NA	NA
+PJ124262	GLEMMMMR 	C39H71N11O11S4	997.4218	NA	PeJP	NA	NA
+PJ124263	SSTCCRRW 	C39H63N15O12S2	997.4222	NA	PeJP	NA	NA
+PJ124264	GGSPCCRRY 	C39H63N15O12S2	997.4223	NA	PeJP	NA	NA
+PJ124265	TLMMMWW 	C47H67N9O9S3	997.4224	NA	PeJP	NA	NA
+PJ124266	GCQRYWW 	C47H59N13O10S	997.4229	NA	PeJP	NA	NA
+PJ124267	ASPTTTEEY 	C42H63N9O19	997.424	NA	PeJP	NA	NA
+PJ124268	ATKEEEEY 	C42H63N9O19	997.4241	NA	PeJP	NA	NA
+PJ124269	SSSSSCERR 	C35H63N15O17S	997.4247	NA	PeJP	NA	NA
+PJ124270	STTLEMMW 	C43H67N9O14S2	997.4249	NA	PeJP	NA	NA
+PJ124271	GSSNERYW 	C43H59N13O15	997.4254	NA	PeJP	NA	NA
+PJ124272	PVMYYYY 	C51H63N7O12S	997.4256	NA	PeJP	NA	NA
+PJ124273	GVLMMMMW 	C44H71N9O9S4	997.4258	NA	PeJP	NA	NA
+PJ124274	NNMMFRW 	C44H63N13O10S2	997.4263	NA	PeJP	NA	NA
+PJ124275	GSTHHHHW 	C44H55N17O11	997.4267	NA	PeJP	NA	NA
+PJ124276	GGGPNHHHW 	C44H55N17O11	997.4268	NA	PeJP	NA	NA
+PJ124277	SSTTTLEEM 	C39H67N9O19S	997.4274	NA	PeJP	NA	NA
+PJ124278	SLKEEMMM 	C40H71N9O14S3	997.4283	NA	PeJP	NA	NA
+PJ124279	GSSSSTMRW 	C40H63N13O15S	997.4288	NA	PeJP	NA	NA
+PJ124280	PVKMMMMM 	C41H75N9O9S5	997.4292	NA	PeJP	NA	NA
+PJ124281	SNDKYWW 	C48H59N11O13	997.4294	NA	PeJP	NA	NA
+PJ124282	GSCKMMRW 	C41H67N13O10S3	997.4296	NA	PeJP	NA	NA
+PJ124283	GGPCCKMFR 	C41H67N13O10S3	997.4297	NA	PeJP	NA	NA
+PJ124284	GCNQHHFR 	C41H59N17O11S	997.4301	NA	PeJP	NA	NA
+PJ124285	CKMHFFW 	C49H63N11O8S2	997.4303	NA	PeJP	NA	NA
+PJ124286	GSSSSSTTER 	C36H63N13O20	997.4313	NA	PeJP	NA	NA
+PJ124287	GSSSDKMMR 	C37H67N13O15S2	997.4321	NA	PeJP	NA	NA
+PJ124288	GGGGSSSCKKM 	C37H67N13O15S2	997.4322	NA	PeJP	NA	NA
+PJ124289	GNDDEHRR 	C37H59N17O16	997.4326	NA	PeJP	NA	NA
+PJ124290	GGGGGGGGGGGSKH 	C37H59N17O16	997.4327	NA	PeJP	NA	NA
+PJ124291	SSSSKMWW 	C45H63N11O13S	997.4328	NA	PeJP	NA	NA
+PJ124292	GNKMMMMR 	C38H71N13O10S4	997.433	NA	PeJP	NA	NA
+PJ124293	SPPYYWW 	C53H59N9O11	997.4334	NA	PeJP	NA	NA
+PJ124294	GGGGFFFFY 	C53H59N9O11	997.4335	NA	PeJP	NA	NA
+PJ124295	PMMMFRW 	C46H67N11O8S3	997.4337	NA	PeJP	NA	NA
+PJ124296	PCNHRWW 	C46H59N15O9S	997.4341	NA	PeJP	NA	NA
+PJ124297	HHFWWW 	C54H55N13O7	997.4348	NA	PeJP	NA	NA
+PJ124298	SSSSSTKEW 	C41H63N11O18	997.4353	NA	PeJP	NA	NA
+PJ124299	SSTQKMMW 	C42H67N11O13S2	997.4362	NA	PeJP	NA	NA
+PJ124300	NQEEHRW 	C42H59N15O14	997.4366	NA	PeJP	NA	NA
+PJ124301	GGGVDDHRW 	C42H59N15O14	997.4367	NA	PeJP	NA	NA
+PJ124302	ALEMYWW 	C50H63N9O11S	997.4368	NA	PeJP	NA	NA
+PJ124303	SSCCMRRR 	C35H67N17O11S3	997.4369	NA	PeJP	NA	NA
+PJ124304	LMMMMRW 	C43H71N11O8S4	997.437	NA	PeJP	NA	NA
+PJ124305	CCQFRRW 	C43H63N15O9S2	997.4375	NA	PeJP	NA	NA
+PJ124306	STTTTTQQM 	C38H67N11O18S	997.4386	NA	PeJP	NA	NA
+PJ124307	SSSSDKKEM 	C38H67N11O18S	997.4387	NA	PeJP	NA	NA
+PJ124308	GTTLEEYW 	C46H63N9O16	997.4393	NA	PeJP	NA	NA
+PJ124309	STLEMMMR 	C39H71N11O13S3	997.4395	NA	PeJP	NA	NA
+PJ124310	GSNDMRRY 	C39H63N15O14S	997.44	NA	PeJP	NA	NA
+PJ124311	GPTLMMYW 	C47H67N9O11S2	997.4402	NA	PeJP	NA	NA
+PJ124312	SSNRYWW 	C47H59N13O12	997.4406	NA	PeJP	NA	NA
+PJ124313	GGSSRYWW 	C47H59N13O12	997.4407	NA	PeJP	NA	NA
+PJ124314	PMFFFFY 	C55H63N7O9S	997.4408	NA	PeJP	NA	NA
+PJ124315	GVMMMHHR 	C40H67N15O9S3	997.4409	NA	PeJP	NA	NA
+PJ124316	GSMHHHHR 	C40H59N19O10S	997.4414	NA	PeJP	NA	NA
+PJ124317	HHHHHFF 	C48H55N17O8	997.442	NA	PeJP	NA	NA
+PJ124318	GLKEEEMY 	C43H67N9O16S	997.4427	NA	PeJP	NA	NA
+PJ124319	VVEYYYY 	C51H63N7O14	997.4433	NA	PeJP	NA	NA
+PJ124320	GSSSSMMRR 	C36H67N15O14S2	997.4434	NA	PeJP	NA	NA
+PJ124321	SSLLMMMW 	C44H71N9O11S3	997.4436	NA	PeJP	NA	NA
+PJ124322	SQQMRYW 	C44H63N13O12S	997.444	NA	PeJP	NA	NA
+PJ124323	GGGGAAPPMHF 	C44H63N13O12S	997.4441	NA	PeJP	NA	NA
+PJ124324	LMMFFFY 	C52H67N7O9S2	997.4442	NA	PeJP	NA	NA
+PJ124325	VCCCKMRR 	C37H71N15O9S4	997.4443	NA	PeJP	NA	NA
+PJ124326	GQQFFWW 	C52H59N11O10	997.4447	NA	PeJP	NA	NA
+PJ124327	SSSTLLEMM 	C40H71N9O16S2	997.446	NA	PeJP	NA	NA
+PJ124328	ATTTTLEMM 	C40H71N9O16S2	997.4461	NA	PeJP	NA	NA
+MJ099251	Corrugatin 	C40H63N13O17	997.446487	NA	MeJP	NA	NA
+PJ124329	SSSSSTTRW 	C40H63N13O17	997.4465	NA	PeJP	NA	NA
+PJ124330	GGGAPPEEER 	C40H63N13O17	997.4466	NA	PeJP	NA	NA
+PJ124331	VVKEMMMM 	C41H75N9O11S4	997.4469	NA	PeJP	NA	NA
+PJ124332	SSTCKMRW 	C41H67N13O12S2	997.4474	NA	PeJP	NA	NA
+PJ124333	NDDHRRW 	C41H59N17O13	997.4479	NA	PeJP	NA	NA
+PJ124334	GQKMYWW 	C49H63N11O10S	997.448	NA	PeJP	NA	NA
+PJ124335	GGAKMYWW 	C49H63N11O10S	997.4481	NA	PeJP	NA	NA
+PJ124336	SSSSSKEMR 	C37H67N13O17S	997.4499	NA	PeJP	NA	NA
+PJ124337	GSTQKEYW 	C45H63N11O15	997.4505	NA	PeJP	NA	NA
+PJ124338	GGGTTKEYW 	C45H63N11O15	997.4506	NA	PeJP	NA	NA
+PJ124339	SSQKMMMR 	C38H71N13O12S3	997.4508	NA	PeJP	NA	NA
+PJ124340	SPCNEHRR 	C38H63N17O13S	997.4512	NA	PeJP	NA	NA
+PJ124341	GGSPCEHRR 	C38H63N17O13S	997.4513	NA	PeJP	NA	NA
+PJ124342	APCCKKYW 	C46H67N11O10S2	997.4514	NA	PeJP	NA	NA
+PJ124343	GQEHRWW 	C46H59N15O11	997.4519	NA	PeJP	NA	NA
+PJ124344	PCLFFWW 	C54H63N9O8S	997.4521	NA	PeJP	NA	NA
+PJ124345	GSSTTTKMW 	C42H67N11O15S	997.4539	NA	PeJP	NA	NA
+PJ124346	TTLEYWW 	C50H63N9O13	997.4546	NA	PeJP	NA	NA
+PJ124347	GSKKMMMW 	C43H71N11O10S3	997.4548	NA	PeJP	NA	NA
+PJ124348	SCQRRYW 	C43H63N15O11S	997.4552	NA	PeJP	NA	NA
+PJ124349	TCNRRYW 	C43H63N15O11S	997.4553	NA	PeJP	NA	NA
+PJ124350	VVMMFWW 	C51H67N9O8S2	997.4554	NA	PeJP	NA	NA
+PJ124351	GVQHWWW 	C51H59N13O9	997.4559	NA	PeJP	NA	NA
+PJ124352	SSSSSSSLKE 	C38H67N11O20	997.4564	NA	PeJP	NA	NA
+PJ124353	GSSTKKEMM 	C39H71N11O15S2	997.4573	NA	PeJP	NA	NA
+PJ124354	TTQQQQQH 	C39H63N15O16	997.4577	NA	PeJP	NA	NA
+PJ124355	SSSNERRY 	C39H63N15O16	997.4578	NA	PeJP	NA	NA
+PJ124356	LKEEMYW 	C47H67N9O13S	997.4579	NA	PeJP	NA	NA
+PJ124357	PPPLEEMW 	C47H67N9O13S	997.458	NA	PeJP	NA	NA
+PJ124358	SVLMMMMR 	C40H75N11O10S4	997.4582	NA	PeJP	NA	NA
+PJ124359	PVFFYYY 	C55H63N7O11	997.4586	NA	PeJP	NA	NA
+PJ124360	GGGGPVMMHR 	C40H67N15O11S2	997.4587	NA	PeJP	NA	NA
+PJ124361	SSTHHHHR 	C40H59N19O12	997.4591	NA	PeJP	NA	NA
+PJ124362	GCKRYWW 	C48H63N13O9S	997.4593	NA	PeJP	NA	NA
+PJ124363	STLKEEEY 	C43H67N9O18	997.4604	NA	PeJP	NA	NA
+PJ124364	GPPVLEEEE 	C43H67N9O18	997.4605	NA	PeJP	NA	NA
+PJ124365	SSSSSTMRR 	C36H67N15O16S	997.4611	NA	PeJP	NA	NA
+PJ124366	SPLKEMMY 	C44H71N9O13S2	997.4613	NA	PeJP	NA	NA
+PJ124367	GSSDKRYW 	C44H63N13O14	997.4618	NA	PeJP	NA	NA
+PJ124368	VLMFYYY 	C52H67N7O11S	997.4619	NA	PeJP	NA	NA
+PJ124369	SSCKMMRR 	C37H71N15O11S3	997.462	NA	PeJP	NA	NA
+PJ124370	GNNNMHRR 	C37H63N19O12S	997.4625	NA	PeJP	NA	NA
+PJ124371	CQKMFRW 	C45H67N13O9S2	997.4627	NA	PeJP	NA	NA
+PJ124372	PEHHHRW 	C45H59N17O10	997.4631	NA	PeJP	NA	NA
+PJ124373	TTTTTTLEM 	C40H71N9O18S	997.4638	NA	PeJP	NA	NA
+PJ124374	GTTTLLMMM 	C41H75N9O13S3	997.4647	NA	PeJP	NA	NA
+PJ124375	ATTQQMRY 	C41H67N13O14S	997.4651	NA	PeJP	NA	NA
+PJ124376	GSQKEMRY 	C41H67N13O14S	997.4652	NA	PeJP	NA	NA
+PJ124377	STQKYWW 	C49H63N11O12	997.4658	NA	PeJP	NA	NA
+PJ124378	PPVMMMHR 	C42H71N13O9S3	997.466	NA	PeJP	NA	NA
+PJ124379	GSPCHRRW 	C42H63N17O10S	997.4665	NA	PeJP	NA	NA
+PJ124380	QHRWWW 	C50H59N15O8	997.4671	NA	PeJP	NA	NA
+PJ124381	GAHRWWW 	C50H59N15O8	997.4672	NA	PeJP	NA	NA
+PJ124382	SSSSSSSTLR 	C37H67N13O19	997.4676	NA	PeJP	NA	NA
+PJ124383	GGSSSSSSSKK 	C37H67N13O19	997.4677	NA	PeJP	NA	NA
+PJ124384	GSSTTKMMR 	C38H71N13O14S2	997.4685	NA	PeJP	NA	NA
+PJ124385	GSQEEHRR 	C38H63N17O15	997.469	NA	PeJP	NA	NA
+PJ124386	TLEMRYW 	C46H67N11O12S	997.4692	NA	PeJP	NA	NA
+PJ124387	ACKKMMMR 	C39H75N13O9S4	997.4694	NA	PeJP	NA	NA
+PJ124388	APLYYWW 	C54H63N9O10	997.4698	NA	PeJP	NA	NA
+PJ124389	CNMRRRY 	C39H67N17O10S2	997.4699	NA	PeJP	NA	NA
+PJ124390	CLHHFRW 	C47H63N15O8S	997.4705	NA	PeJP	NA	NA
+PJ124391	SSSTTTTKW 	C42H67N11O17	997.4717	NA	PeJP	NA	NA
+PJ124392	SSTKKMMW 	C43H71N11O12S2	997.4725	NA	PeJP	NA	NA
+PJ124393	GVLEMMRY 	C43H71N11O12S2	997.4726	NA	PeJP	NA	NA
+PJ124394	GSSSRRYW 	C43H63N15O13	997.473	NA	PeJP	NA	NA
+PJ124395	SLLMYWW 	C51H67N9O10S	997.4732	NA	PeJP	NA	NA
+PJ124396	CCKFRRW 	C44H67N15O8S2	997.4739	NA	PeJP	NA	NA
+PJ124397	QHHHHFR 	C44H59N19O9	997.4744	NA	PeJP	NA	NA
+PJ124398	SSSTTKKEM 	C39H71N11O17S	997.475	NA	PeJP	NA	NA
+PJ124399	SSTLLEYW 	C47H67N9O15	997.4757	NA	PeJP	NA	NA
+PJ124400	SDKKKMMM 	C40H75N11O12S3	997.4759	NA	PeJP	NA	NA
+PJ124401	GSTQMRRY 	C40H67N15O13S	997.4764	NA	PeJP	NA	NA
+PJ124402	AALLMMYW 	C48H71N9O10S2	997.4766	NA	PeJP	NA	NA
+PJ124403	PPQERWW 	C48H63N13O11	997.477	NA	PeJP	NA	NA
+PJ124404	GAPPERWW 	C48H63N13O11	997.4771	NA	PeJP	NA	NA
+PJ124405	LMFFFFF 	C56H67N7O8S	997.4772	NA	PeJP	NA	NA
+PJ124406	SVLKEEMY 	C44H71N9O15S	997.4791	NA	PeJP	NA	NA
+PJ124407	TLLYYYY 	C52H67N7O13	997.4797	NA	PeJP	NA	NA
+PJ124408	PVVKMMMY 	C45H75N9O10S3	997.4799	NA	PeJP	NA	NA
+PJ124409	GGVLLMMMF 	C45H75N9O10S3	997.48	NA	PeJP	NA	NA
+PJ124410	GSDDHRRR 	C37H63N19O14	997.4802	NA	PeJP	NA	NA
+PJ124411	GGGGGGSTHRR 	C37H63N19O14	997.4803	NA	PeJP	NA	NA
+PJ124412	SQKMRYW 	C45H67N13O11S	997.4804	NA	PeJP	NA	NA
+PJ124413	PPVQWWW 	C53H63N11O9	997.4811	NA	PeJP	NA	NA
+PJ124414	STTTTLLMM 	C41H75N9O15S2	997.4824	NA	PeJP	NA	NA
+PJ124415	SSTQKERY 	C41H67N13O16	997.4829	NA	PeJP	NA	NA
+PJ124416	GGGGGGGGAPLLE 	C41H67N13O16	997.483	NA	PeJP	NA	NA
+PJ124417	TLLKMMMM 	C42H79N9O10S4	997.4833	NA	PeJP	NA	NA
+PJ124418	LEMMRRY 	C42H71N13O11S2	997.4838	NA	PeJP	NA	NA
+PJ124419	SQEHRRW 	C42H63N17O12	997.4843	NA	PeJP	NA	NA
+PJ124420	GKKMYWW 	C50H67N11O9S	997.4844	NA	PeJP	NA	NA
+PJ124421	SSSTTTKMR 	C38H71N13O16S	997.4863	NA	PeJP	NA	NA
+PJ124422	GSTKKEYW 	C46H67N11O14	997.4869	NA	PeJP	NA	NA
+PJ124423	GGPPVKEEW 	C46H67N11O14	997.487	NA	PeJP	NA	NA
+PJ124424	SSKKMMMR 	C39H75N13O11S3	997.4872	NA	PeJP	NA	NA
+PJ124425	GSTCRRRY 	C39H67N17O12S	997.4876	NA	PeJP	NA	NA
+PJ124426	GGGGGGPPMRR 	C39H67N17O12S	997.4877	NA	PeJP	NA	NA
+PJ124427	VLMMRYW 	C47H71N11O9S2	997.4878	NA	PeJP	NA	NA
+PJ124428	GKEHRWW 	C47H63N15O10	997.4883	NA	PeJP	NA	NA
+PJ124429	SSLLEMRY 	C43H71N11O14S	997.4903	NA	PeJP	NA	NA
+PJ124430	GSPLLYYW 	C51H67N9O12	997.4909	NA	PeJP	NA	NA
+PJ124431	PLKEYYW 	C51H67N9O12	997.491	NA	PeJP	NA	NA
+PJ124432	GLLMMMFR 	C44H75N11O9S3	997.4912	NA	PeJP	NA	NA
+PJ124433	SCKRRYW 	C44H67N15O10S	997.4916	NA	PeJP	NA	NA
+PJ124434	SPPPCRRW 	C44H67N15O10S	997.4917	NA	PeJP	NA	NA
+PJ124435	APPRWWW 	C52H63N13O8	997.4923	NA	PeJP	NA	NA
+PJ124436	SSSSSTTTLK 	C39H71N11O19	997.4928	NA	PeJP	NA	NA
+PJ124437	SSSSLKKMM 	C40H75N11O14S2	997.4937	NA	PeJP	NA	NA
+PJ124438	SSSDKRRY 	C40H67N15O15	997.4941	NA	PeJP	NA	NA
+PJ124439	SPPQEERR 	C40H67N15O15	997.4942	NA	PeJP	NA	NA
+PJ124440	ATTLLMYW 	C48H71N9O12S	997.4943	NA	PeJP	NA	NA
+PJ124441	VCKKKMMM 	C41H79N11O9S4	997.4945	NA	PeJP	NA	NA
+PJ124442	AKKKMMMM 	C41H79N11O9S4	997.4946	NA	PeJP	NA	NA
+PJ124443	VLFFFYY 	C56H67N7O10	997.495	NA	PeJP	NA	NA
+PJ124444	GVQQHHHR 	C41H63N19O11	997.4955	NA	PeJP	NA	NA
+PJ124445	LKMHHFW 	C49H67N13O8S	997.4957	NA	PeJP	NA	NA
+PJ124446	SSSSLLLEY 	C44H71N9O17	997.4968	NA	PeJP	NA	NA
+PJ124447	ALLKEMMY 	C45H75N9O12S2	997.4977	NA	PeJP	NA	NA
+PJ124448	GSTTKRYW 	C45H67N13O13	997.4982	NA	PeJP	NA	NA
+PJ124449	NEMHRRR 	C38H67N19O11S	997.4989	NA	PeJP	NA	NA
+PJ124450	CKKMFRW 	C46H71N13O8S2	997.499	NA	PeJP	NA	NA
+PJ124451	GTHRRWW 	C46H63N17O9	997.4995	NA	PeJP	NA	NA
+PJ124452	GSKKEMRY 	C42H71N13O13S	997.5015	NA	PeJP	NA	NA
+PJ124453	ALLEEMHR 	C42H71N13O13S	997.5016	NA	PeJP	NA	NA
+PJ124454	STKKYWW 	C50H67N11O11	997.5022	NA	PeJP	NA	NA
+PJ124455	VNMHRRW 	C43H67N17O9S	997.5029	NA	PeJP	NA	NA
+PJ124456	KHRWWW 	C51H63N15O7	997.5035	NA	PeJP	NA	NA
+8313	Anticancer peptide	NENLLRFFVAPFPEVFG	997.5044	MH2+	Inhouse_peptide	NA	peptide
+PJ124457	SSSCCKKKK 	C39H75N13O13S2	997.5049	NA	PeJP	NA	NA
+PJ124458	SSSSRRRY 	C39H67N17O14	997.5054	NA	PeJP	NA	NA
+PJ124459	DKKKMYW 	C47H71N11O11S	997.5056	NA	PeJP	NA	NA
+PJ124460	ALLFYWW 	C55H67N9O9	997.5062	NA	PeJP	NA	NA
+PJ124461	APCKMHRR 	C40H71N17O9S2	997.5063	NA	PeJP	NA	NA
+PJ124462	QQHHHRR 	C40H63N21O10	997.5067	NA	PeJP	NA	NA
+PJ124463	SSSPTTKKY 	C43H71N11O16	997.508	NA	PeJP	NA	NA
+PJ124464	SSKKKEEY 	C43H71N11O16	997.5081	NA	PeJP	NA	NA
+PJ124465	ATLLMMRY 	C44H75N11O11S2	997.5089	NA	PeJP	NA	NA
+PJ124466	GGAPPPLKMM 	C44H75N11O11S2	997.509	NA	PeJP	NA	NA
+PJ124467	GPPTERRW 	C44H67N15O12	997.5094	NA	PeJP	NA	NA
+PJ124468	AALLMFFW 	C52H71N9O9S	997.5096	NA	PeJP	NA	NA
+PJ124469	CDHRRRR 	C37H67N21O10S	997.5101	NA	PeJP	NA	NA
+PJ124470	KHHHHFR 	C45H63N19O8	997.5108	NA	PeJP	NA	NA
+PJ124471	STTTTTKKM 	C40H75N11O16S	997.5114	NA	PeJP	NA	NA
+PJ124472	TTTTLLYW 	C48H71N9O14	997.5121	NA	PeJP	NA	NA
+PJ124473	TTKKKMMM 	C41H79N11O11S3	997.5123	NA	PeJP	NA	NA
+PJ124474	GSTKMRRY 	C41H71N15O12S	997.5128	NA	PeJP	NA	NA
+PJ124475	PVVKMMFF 	C49H75N9O9S2	997.513	NA	PeJP	NA	NA
+PJ124476	PPKERWW 	C49H67N13O10	997.5134	NA	PeJP	NA	NA
+PJ124477	GMHRRRW 	C42H67N19O8S	997.5141	NA	PeJP	NA	NA
+PJ124478	SSVVVTLMY 	C45H75N9O14S	997.5154	NA	PeJP	NA	NA
+PJ124479	TTLLKEMY 	C45H75N9O14S	997.5155	NA	PeJP	NA	NA
+PJ124480	VVLKMMMF 	C46H79N9O9S3	997.5163	NA	PeJP	NA	NA
+PJ124481	GSTEHRRR 	C38H67N19O13	997.5166	NA	PeJP	NA	NA
+PJ124482	SKKMRYW 	C46H71N13O10S	997.5168	NA	PeJP	NA	NA
+PJ124483	PPVKWWW 	C54H67N11O8	997.5175	NA	PeJP	NA	NA
+PJ124484	SSTKKERY 	C42H71N13O15	997.5193	NA	PeJP	NA	NA
+PJ124485	AAKKMMRY 	C43H75N13O10S2	997.5202	NA	PeJP	NA	NA
+PJ124486	SKEHRRW 	C43H67N17O11	997.5206	NA	PeJP	NA	NA
+PJ124487	GGAAPQRRW 	C43H67N17O11	997.5207	NA	PeJP	NA	NA
+PJ124488	LLLMHWW 	C51H71N11O8S	997.5208	NA	PeJP	NA	NA
+PJ124489	SSSLKKYW 	C47H71N11O13	997.5233	NA	PeJP	NA	NA
+PJ124490	GPPEMRRR 	C40H71N17O11S	997.524	NA	PeJP	NA	NA
+PJ124491	KKKMMFW 	C48H75N11O8S2	997.5242	NA	PeJP	NA	NA
+PJ124492	PPTRRWW 	C48H67N15O9	997.5247	NA	PeJP	NA	NA
+PJ124493	TTTLLMRY 	C44H75N11O13S	997.5267	NA	PeJP	NA	NA
+PJ124494	LLLQYYW 	C52H71N9O11	997.5273	NA	PeJP	NA	NA
+PJ124495	PPPLLEFW 	C52H71N9O11	997.5274	NA	PeJP	NA	NA
+PJ124496	GPPVMRRW 	C45H71N15O9S	997.528	NA	PeJP	NA	NA
+PJ124497	SSTTKRRY 	C41H71N15O14	997.5305	NA	PeJP	NA	NA
+PJ124498	GGPVVEERR 	C41H71N15O14	997.5306	NA	PeJP	NA	NA
+PJ124499	PPLLLEMW 	C49H75N9O11S	997.5307	NA	PeJP	NA	NA
+PJ124500	APKKMMHR 	C42H75N15O9S2	997.5314	NA	PeJP	NA	NA
+PJ124501	STHRRRW 	C42H67N19O10	997.5319	NA	PeJP	NA	NA
+PJ124502	SSTTTLLLY 	C45H75N9O16	997.5332	NA	PeJP	NA	NA
+PJ124503	SLLLKMMY 	C46H79N9O11S2	997.5341	NA	PeJP	NA	NA
+PJ124504	VLERRYY 	C46H71N13O12	997.5345	NA	PeJP	NA	NA
+MJ099252	Bradykinin potentiator A 	C46H71N13O12	997.534514	NA	MeJP	NA	NA
+PJ124505	SPPVKERW 	C46H71N13O12	997.5346	NA	PeJP	NA	NA
+PJ124506	DKMHRRR 	C39H71N19O10S	997.5352	NA	PeJP	NA	NA
+PJ124507	AATMHRRR 	C39H71N19O10S	997.5353	NA	PeJP	NA	NA
+PJ124508	LLHHHRW 	C47H67N17O8	997.5359	NA	PeJP	NA	NA
+PJ124509	ATTKKMRY 	C43H75N13O12S	997.5379	NA	PeJP	NA	NA
+PJ124510	GGGGGPPLKKM 	C43H75N13O12S	997.538	NA	PeJP	NA	NA
+PJ124511	APPTLKWW 	C51H71N11O10	997.5386	NA	PeJP	NA	NA
+PJ124512	PPMRRRW 	C44H71N17O8S	997.5393	NA	PeJP	NA	NA
+PJ124513	GPVEERRR 	C40H71N17O13	997.5418	NA	PeJP	NA	NA
+PJ124514	SVLLLMHW 	C48H75N11O10S	997.542	NA	PeJP	NA	NA
+PJ124515	QKHHHRR 	C41H67N21O9	997.5431	NA	PeJP	NA	NA
+PJ124516	TTTKKKEY 	C44H75N11O15	997.5444	NA	PeJP	NA	NA
+PJ124517	PLLLEEER 	C44H75N11O15	997.5445	NA	PeJP	NA	NA
+PJ124518	GLKKKMMY 	C45H79N11O10S2	997.5453	NA	PeJP	NA	NA
+PJ124519	AAPLERRW 	C45H71N15O11	997.5458	NA	PeJP	NA	NA
+PJ124520	SMHRRRR 	C38H71N21O9S	997.5465	NA	PeJP	NA	NA
+PJ124521	PVLLLEEW 	C49H75N9O13	997.5485	NA	PeJP	NA	NA
+PJ124522	PPVDKMRR 	C42H75N15O11S	997.5492	NA	PeJP	NA	NA
+PJ124523	PLLQRWW 	C50H71N13O9	997.5498	NA	PeJP	NA	NA
+PJ124524	SPPILLLDM 	C46H79N9O13S	997.5518	NA	PeJP	NA	NA
+PJ124525	SPPVLLLEM 	C46H79N9O13S	997.5519	NA	PeJP	NA	NA
+PJ124526	PEERRRR 	C39H71N19O12	997.553	NA	PeJP	NA	NA
+PJ124527	APPLKMRW 	C47H75N13O9S	997.5532	NA	PeJP	NA	NA
+PJ124528	TTTTKKRY 	C43H75N13O14	997.5557	NA	PeJP	NA	NA
+PJ124529	VVLLMMHR 	C44H79N13O9S2	997.5566	NA	PeJP	NA	NA
+PJ124530	PVERRRW 	C44H71N17O10	997.557	NA	PeJP	NA	NA
+PJ124531	PPTLKKEW 	C48H75N11O12	997.5597	NA	PeJP	NA	NA
+PJ124532	SPPVMRRR 	C41H75N17O10S	997.5604	NA	PeJP	NA	NA
+PJ124533	PVVRRWW 	C49H71N15O8	997.5611	NA	PeJP	NA	NA
+PJ124534	STLKKKMY 	C45H79N11O12S	997.5631	NA	PeJP	NA	NA
+PJ124535	LLLKYYW 	C53H75N9O10	997.5637	NA	PeJP	NA	NA
+PJ124536	GSPNRRRR 	C38H71N21O11	997.5642	NA	PeJP	NA	NA
+PJ124537	GGGSPRRRR 	C38H71N21O11	997.5643	NA	PeJP	NA	NA
+PJ124538	LKKMHRW 	C46H75N15O8S	997.5644	NA	PeJP	NA	NA
+PJ124539	APLKEERR 	C42H75N15O13	997.5669	NA	PeJP	NA	NA
+PJ124540	GGGGGGAALLLR 	C42H75N15O13	997.567	NA	PeJP	NA	NA
+PJ124541	ALLLKMFY 	C50H79N9O10S	997.5671	NA	PeJP	NA	NA
+PJ124542	VQHFRRR 	C43H71N19O9	997.5683	NA	PeJP	NA	NA
+PJ124543	APTLLLLEE 	C46H79N9O15	997.5696	NA	PeJP	NA	NA
+PJ124544	APPLLLLMM 	C47H83N9O10S2	997.5705	NA	PeJP	NA	NA
+PJ124545	PPTTLKRW 	C47H75N13O11	997.5709	NA	PeJP	NA	NA
+PJ124546	GPLLKERW 	C47H75N13O11	997.571	NA	PeJP	NA	NA
+PJ124547	PPLKKEMR 	C44H79N13O11S	997.5743	NA	PeJP	NA	NA
+PJ124548	GPVLLKWW 	C52H75N11O9	997.575	NA	PeJP	NA	NA
+PJ124549	VTTTKHRR 	C41H75N17O12	997.5781	NA	PeJP	NA	NA
+PJ124550	APTLERRR 	C41H75N17O12	997.5782	NA	PeJP	NA	NA
+PJ124551	PPVLKKMW 	C49H79N11O9S	997.5783	NA	PeJP	NA	NA
+PJ124552	AHFRRRR 	C42H71N21O8	997.5795	NA	PeJP	NA	NA
+PJ124553	STTTLLLLH 	C45H79N11O14	997.5808	NA	PeJP	NA	NA
+PJ124554	AAPILKKEE 	C45H79N11O14	997.5809	NA	PeJP	NA	NA
+PJ124555	LLLLKMMH 	C46H83N11O9S2	997.5817	NA	PeJP	NA	NA
+PJ124556	GPTLLRRW 	C46H75N15O10	997.5822	NA	PeJP	NA	NA
+PJ124557	SVLLLKYY 	C50H79N9O12	997.5849	NA	PeJP	NA	NA
+PJ124558	PPTLKMRR 	C43H79N15O10S	997.5855	NA	PeJP	NA	NA
+PJ124559	PVVLQMRR 	C43H79N15O10S	997.5856	NA	PeJP	NA	NA
+PJ124560	PLLKRWW 	C51H75N13O8	997.5862	NA	PeJP	NA	NA
+PJ124561	GPLLLLLEM 	C47H83N9O12S	997.5882	NA	PeJP	NA	NA
+PJ124562	GPTQKRRR 	C40H75N19O11	997.5894	NA	PeJP	NA	NA
+PJ124563	PVLKKEER 	C44H79N13O13	997.5921	NA	PeJP	NA	NA
+PJ124564	PQKKRRW 	C45H75N17O9	997.5934	NA	PeJP	NA	NA
+PJ124565	PVVLKKEW 	C49H79N11O11	997.5961	NA	PeJP	NA	NA
+PJ124566	GPLLMRRR 	C42H79N17O9S	997.5968	NA	PeJP	NA	NA
+PJ124567	APPTLLKKM 	C46H83N11O11S	997.5995	NA	PeJP	NA	NA
+PJ124568	PPLLLLFW 	C54H79N9O9	997.6001	NA	PeJP	NA	NA
+PJ124569	VQQRRRR 	C39H75N21O10	997.6006	NA	PeJP	NA	NA
+PJ124570	SPLLKERR 	C43H79N15O12	997.6033	NA	PeJP	NA	NA
+PJ124571	PLLLLLMW 	C51H83N9O9S	997.6035	NA	PeJP	NA	NA
+PJ124572	VKHFRRR 	C44H75N19O8	997.6047	NA	PeJP	NA	NA
+PJ124573	GVLLLLLEE 	C47H83N9O14	997.606	NA	PeJP	NA	NA
+PJ124574	SPVLLKRW 	C48H79N13O10	997.6073	NA	PeJP	NA	NA
+PJ124575	PLLLQKMR 	C45H83N13O10S	997.6107	NA	PeJP	NA	NA
+PJ124576	AQRRRRR 	C38H75N23O9	997.6119	NA	PeJP	NA	NA
+PJ124577	AVVLERRR 	C42H79N17O11	997.6145	NA	PeJP	NA	NA
+PJ124578	GVLLERRR 	C42H79N17O11	997.6146	NA	PeJP	NA	NA
+PJ124579	LLLLLEER 	C46H83N11O13	997.6172	NA	PeJP	NA	NA
+PJ124580	AALLLRRW 	C47H79N15O9	997.6186	NA	PeJP	NA	NA
+PJ124581	GPPILLLLY 	C51H83N9O11	997.6212	NA	PeJP	NA	NA
+PJ124582	VLLLLLEW 	C51H83N9O11	997.6213	NA	PeJP	NA	NA
+PJ124583	PVVLKMRR 	C44H83N15O9S	997.6219	NA	PeJP	NA	NA
+PJ124584	SPVLLLLLM 	C48H87N9O11S	997.6246	NA	PeJP	NA	NA
+PJ124585	LLERRRR 	C41H79N19O10	997.6258	NA	PeJP	NA	NA
+PJ124586	VLLLQKER 	C45H83N13O12	997.6285	NA	PeJP	NA	NA
+PJ124587	VLLRRRW 	C46H79N17O8	997.6298	NA	PeJP	NA	NA
+PJ124588	PTLLLKKW 	C50H83N11O10	997.6325	NA	PeJP	NA	NA
+PJ124589	GPVLLLKKM 	C47H87N11O10S	997.6359	NA	PeJP	NA	NA
+PJ124590	VQKRRRR 	C40H79N21O9	997.637	NA	PeJP	NA	NA
+PJ124591	ALLLKERR 	C44H83N15O11	997.6397	NA	PeJP	NA	NA
+PJ124592	ATLLLLLLE 	C48H87N9O13	997.6424	NA	PeJP	NA	NA
+PJ124593	GLLLLKRW 	C49H83N13O9	997.6437	NA	PeJP	NA	NA
+PJ124594	PLLLKKMR 	C46H87N13O9S	997.6471	NA	PeJP	NA	NA
+PJ124595	AKRRRRR 	C39H79N23O8	997.6482	NA	PeJP	NA	NA
+PJ124596	ATLLLRRR 	C43H83N17O10	997.6509	NA	PeJP	NA	NA
+PJ124597	AALLLLKKE 	C47H87N11O12	997.6536	NA	PeJP	NA	NA
+PJ124598	GPLLLLLLF 	C52H87N9O10	997.6576	NA	PeJP	NA	NA
+PJ124599	GLLLLLLLM 	C49H91N9O10S	997.661	NA	PeJP	NA	NA
+PJ124600	AALKKRRR 	C42H83N19O9	997.6622	NA	PeJP	NA	NA
+PJ124601	VLLLKKER 	C46H87N13O11	997.6648	NA	PeJP	NA	NA
+PJ124602	LLLLDKKR 	C46H87N13O11	997.6649	NA	PeJP	NA	NA
+PJ124603	VVLLLKKW 	C51H87N11O9	997.6689	NA	PeJP	NA	NA
+PJ124604	VKKRRRR 	C41H83N21O8	997.6734	NA	PeJP	NA	NA
+PJ124605	SLLLLKRR 	C45H87N15O10	997.6761	NA	PeJP	NA	NA
+PJ124606	STLLLLLLL 	C49H91N9O12	997.6788	NA	PeJP	NA	NA
+PJ124607	GLLKKKRR 	C44H87N17O9	997.6873	NA	PeJP	NA	NA
+PJ124608	GTLLLLLKK 	C48H91N11O11	997.69	NA	PeJP	NA	NA
+PJ124609	LLLQKKKK 	C47H91N13O10	997.7012	NA	PeJP	NA	NA
+PJ124610	VVLKKKKR 	C46H91N15O9	997.7125	NA	PeJP	NA	NA
+PJ124611	LLLKKKKK 	C48H95N13O9	997.7376	NA	PeJP	NA	NA
+MJ099253	Aplysinellin A 	C31H29Br3N4O13S3	997.844337	NA	MeJP	NA	NA
+PJ124612	GSCCCCCCCD 	C30H50N10O14S7	998.1553	NA	PeJP	NA	NA
+PJ124613	CCCCCCCQM 	C31H54N10O11S8	998.174	NA	PeJP	NA	NA
+PJ124614	CCCCCCCCR 	C30H54N12O10S8	998.1852	NA	PeJP	NA	NA
+PJ124615	GSSCCCCCCM 	C31H54N10O13S7	998.1917	NA	PeJP	NA	NA
+PJ124616	SSSTCCCCCC 	C31H54N10O15S6	998.2095	NA	PeJP	NA	NA
+PJ124617	CCCCCCCKM 	C32H58N10O10S8	998.2104	NA	PeJP	NA	NA
+PJ124618	GCCCCCNMY 	C35H54N10O12S6	998.2247	NA	PeJP	NA	NA
+PJ124619	SCCCCNDDH 	C33H50N12O16S4	998.2351	NA	PeJP	NA	NA
+PJ124620	PCCCCCCQH 	C34H54N12O11S6	998.236	NA	PeJP	NA	NA
+PJ124621	PCCCNDDDD 	C34H50N10O19S3	998.2416	NA	PeJP	NA	NA
+PJ124622	SSCCCCCQY 	C35H54N10O14S5	998.2425	NA	PeJP	NA	NA
+PJ124623	CCCDDDYY 	C39H50N8O17S3	998.2456	NA	PeJP	NA	NA
+PJ124624	CCCDMMMY 	C37H58N8O12S6	998.2499	NA	PeJP	NA	NA
+PJ124625	GCCCCNEMH 	C34H54N12O13S5	998.2537	NA	PeJP	NA	NA
+PJ124626	GCCCCCNFF 	C39H54N10O11S5	998.2577	NA	PeJP	NA	NA
+PJ124627	GGGCCCCCFF 	C39H54N10O11S5	998.2578	NA	PeJP	NA	NA
+PJ124628	GCNDDDDDM 	C34H50N10O21S2	998.2594	NA	PeJP	NA	NA
+PJ124629	GSSSSCCCCY 	C35H54N10O16S4	998.2602	NA	PeJP	NA	NA
+PJ124630	GSPPCCCCDD 	C35H54N10O16S4	998.2603	NA	PeJP	NA	NA
+PJ124631	ACCCCCCKY 	C36H58N10O11S6	998.2611	NA	PeJP	NA	NA
+PJ124632	CCCDDMFY 	C40H54N8O14S4	998.2643	NA	PeJP	NA	NA
+PJ124633	GCCCCCDHR 	C33H54N14O12S5	998.265	NA	PeJP	NA	NA
+PJ124634	CCCMMMMF 	C38H62N8O9S7	998.2685	NA	PeJP	NA	NA
+PJ124635	CCCCNMHW 	C38H54N12O10S5	998.269	NA	PeJP	NA	NA
+MJ099254	Rubradirin 	C48H46N4O20	998.270539	NA	MeJP	NA	NA
+PJ124636	SCCNNNDDD 	C33H50N12O20S2	998.2706	NA	PeJP	NA	NA
+PJ124637	SSCCCNDMH 	C34H54N12O15S4	998.2715	NA	PeJP	NA	NA
+PJ124638	PCCCCCCKH 	C35H58N12O10S6	998.2724	NA	PeJP	NA	NA
+PJ124639	CCNDDDEW 	C38H50N10O18S2	998.2746	NA	PeJP	NA	NA
+PJ124640	GGCCDDDEW 	C38H50N10O18S2	998.2747	NA	PeJP	NA	NA
+PJ124641	CCCCNQYY 	C39H54N10O13S4	998.2755	NA	PeJP	NA	NA
+PJ124642	SSCNDDDDE 	C34H50N10O23S	998.2771	NA	PeJP	NA	NA
+PJ124643	GGSSCDDDDE 	C34H50N10O23S	998.2772	NA	PeJP	NA	NA
+PJ124644	SPCCNDDDM 	C35H54N10O18S3	998.278	NA	PeJP	NA	NA
+PJ124645	SSCCCCCKY 	C36H58N10O13S5	998.2789	NA	PeJP	NA	NA
+PJ124646	SCCDDMYY 	C40H54N8O16S3	998.282	NA	PeJP	NA	NA
+PJ124647	CCCDMMFF 	C41H58N8O11S5	998.2829	NA	PeJP	NA	NA
+MJ099255	Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',3',6'-tris-O-(4-hydroxy-E-cinnamoyl), 2-Ac 	C51H50O21	998.284458	NA	MeJP	NA	NA
+MJ099256	Sucrose; 6-O-(4-Hydroxy-3-methoxy-E-cinnamoyl), 1',3',6'-tris-O-(4-hydroxy-E-cinnamoyl), 3-Ac 	C51H50O21	998.284458	NA	MeJP	NA	NA
+PJ124648	DDDDEEMM 	C36H54N8O21S2	998.2845	NA	PeJP	NA	NA
+PJ124649	SCCMMMMY 	C38H62N8O11S6	998.2863	NA	PeJP	NA	NA
+PJ124650	GSTCCCCHW 	C38H54N12O12S4	998.2867	NA	PeJP	NA	NA
+PJ124651	GGGPCCCCNW 	C38H54N12O12S4	998.2868	NA	PeJP	NA	NA
+PJ124652	GSSSSCCCEH 	C34H54N12O17S3	998.2892	NA	PeJP	NA	NA
+PJ124653	GGGCCNNDEM 	C34H54N12O17S3	998.2893	NA	PeJP	NA	NA
+PJ124654	GCCDDDWW 	C42H50N10O15S2	998.2899	NA	PeJP	NA	NA
+PJ124655	PPCCCCCDR 	C35H58N12O12S5	998.2901	NA	PeJP	NA	NA
+PJ124656	GSSCDDDDW 	C38H50N10O20S	998.2924	NA	PeJP	NA	NA
+PJ124657	GSPCCCDEW 	C39H54N10O15S3	998.2933	NA	PeJP	NA	NA
+PJ124658	GPPCCCCMW 	C40H58N10O10S5	998.2941	NA	PeJP	NA	NA
+PJ124659	GSSSSDDDDD 	C34H50N10O25	998.2949	NA	PeJP	NA	NA
+PJ124660	GSNDDDDMM 	C35H54N10O20S2	998.2958	NA	PeJP	NA	NA
+PJ124661	GPCCNDEMM 	C36H58N10O15S4	998.2966	NA	PeJP	NA	NA
+PJ124662	GGGPCCDEMM 	C36H58N10O15S4	998.2967	NA	PeJP	NA	NA
+PJ124663	CCCDDFFF 	C44H54N8O13S3	998.2973	NA	PeJP	NA	NA
+PJ124664	CCCEMHHH 	C37H54N14O11S4	998.298	NA	PeJP	NA	NA
+PJ124665	DDDDDEEF 	C39H50N8O23	998.2989	NA	PeJP	NA	NA
+PJ124666	GCCCNNDDR 	C33H54N14O16S3	998.3005	NA	PeJP	NA	NA
+PJ124667	GCCEMMYY 	C41H58N8O13S4	998.3007	NA	PeJP	NA	NA
+PJ124668	GSCCCCMHR 	C34H58N14O11S5	998.3014	NA	PeJP	NA	NA
+PJ124669	CCCCHHFF 	C42H54N12O9S4	998.302	NA	PeJP	NA	NA
+PJ124670	DDDDDMHH 	C37H50N12O19S	998.3036	NA	PeJP	NA	NA
+PJ124671	SSSSCCCHW 	C38H54N12O14S3	998.3045	NA	PeJP	NA	NA
+PJ124672	GSCCDDDER 	C34H54N12O19S2	998.307	NA	PeJP	NA	NA
+PJ124673	GPCCCDDMR 	C35H58N12O14S4	998.3079	NA	PeJP	NA	NA
+PJ124674	SPCCCDWW 	C43H54N10O12S3	998.3085	NA	PeJP	NA	NA
+PJ124675	NNDDDDEY 	C38H50N10O22	998.3102	NA	PeJP	NA	NA
+PJ124676	SCNDDEMW 	C39H54N10O17S2	998.311	NA	PeJP	NA	NA
+PJ124677	PCCNDMMW 	C40H58N10O12S4	998.3119	NA	PeJP	NA	NA
+PJ124678	SSSNDDDEM 	C35H54N10O22S	998.3135	NA	PeJP	NA	NA
+PJ124679	NNDDEMMM 	C36H58N10O17S3	998.3144	NA	PeJP	NA	NA
+PJ124680	GSCNDDDHH 	C36H50N14O18S	998.3149	NA	PeJP	NA	NA
+PJ124681	GCCDEFYY 	C44H54N8O15S2	998.315	NA	PeJP	NA	NA
+PJ124682	SCEMMMMH 	C37H62N10O12S5	998.3153	NA	PeJP	NA	NA
+PJ124683	GPCCCNEHH 	C37H54N14O13S3	998.3157	NA	PeJP	NA	NA
+PJ124684	GGGPCCCEHH 	C37H54N14O13S3	998.3158	NA	PeJP	NA	NA
+PJ124685	CCMMYYW 	C45H58N8O10S4	998.3159	NA	PeJP	NA	NA
+PJ124686	PDDDDEMY 	C40H54N8O20S	998.3176	NA	PeJP	NA	NA
+PJ124687	GSSSCCNNNN 	C33H54N14O18S2	998.3182	NA	PeJP	NA	NA
+PJ124688	GGGGGGGSSSCCN 	C33H54N14O18S2	998.3183	NA	PeJP	NA	NA
+PJ124689	SSCDMMYY 	C41H58N8O15S3	998.3184	NA	PeJP	NA	NA
+PJ124690	SSTCCCCHR 	C34H58N14O13S4	998.3191	NA	PeJP	NA	NA
+PJ124691	ACCMMMFY 	C42H62N8O10S5	998.3193	NA	PeJP	NA	NA
+PJ124692	GCCCNQWW 	C42H54N12O11S3	998.3198	NA	PeJP	NA	NA
+MJ099257	Antibiotic BU 4726G; Antibiotic BU 4726G-B 	C52H54O20	998.320844	NA	MeJP	NA	NA
+PJ124693	SDEEEEMM 	C37H58N8O20S2	998.3209	NA	PeJP	NA	NA
+PJ124694	GPNDDDDDH 	C37H50N12O21	998.3214	NA	PeJP	NA	NA
+PJ124695	PDDEMMMM 	C38H62N8O15S4	998.3218	NA	PeJP	NA	NA
+PJ124696	GSTCCNNDW 	C38H54N12O16S2	998.3222	NA	PeJP	NA	NA
+PJ124697	SCCDDDRW 	C38H54N12O16S2	998.3223	NA	PeJP	NA	NA
+PJ124698	PCCCCERW 	C39H58N12O11S4	998.3231	NA	PeJP	NA	NA
+PJ124699	SSSCDDDDR 	C34H54N12O21S	998.3248	NA	PeJP	NA	NA
+PJ124700	GNDDDDYW 	C42H50N10O19	998.3254	NA	PeJP	NA	NA
+PJ124701	CNDDDMMR 	C35H58N12O16S3	998.3256	NA	PeJP	NA	NA
+PJ124702	GGGGGGGSCEMM 	C35H58N12O16S3	998.3257	NA	PeJP	NA	NA
+PJ124703	GSCDDMWW 	C43H54N10O14S2	998.3263	NA	PeJP	NA	NA
+PJ124704	SPPCCCCMR 	C36H62N12O11S5	998.3265	NA	PeJP	NA	NA
+PJ124705	APCCCMWW 	C44H58N10O9S4	998.3272	NA	PeJP	NA	NA
+PJ124706	GSSSDDDMW 	C39H54N10O19S	998.3288	NA	PeJP	NA	NA
+PJ124707	VCCNDEMW 	C40H58N10O14S3	998.3296	NA	PeJP	NA	NA
+PJ124708	GNDDMMMW 	C40H58N10O14S3	998.3297	NA	PeJP	NA	NA
+MJ099258	Chlorothricin; 3C-Dechloro, 3C-bromo 	C50H63BrO16	998.329948	NA	MeJP	NA	NA
+PJ124709	CCDFYYW 	C48H54N8O12S2	998.3303	NA	PeJP	NA	NA
+PJ124710	PCCMMMHF 	C41H62N10O9S5	998.3305	NA	PeJP	NA	NA
+PJ124711	PCCCNHHW 	C41H54N14O10S3	998.331	NA	PeJP	NA	NA
+PJ124712	GSSSSSDDEE 	C35H54N10O24	998.3313	NA	PeJP	NA	NA
+PJ124713	GSTCDQEEM 	C36H58N10O19S2	998.3321	NA	PeJP	NA	NA
+PJ124714	GSSNDEEMM 	C36H58N10O19S2	998.3322	NA	PeJP	NA	NA
+PJ124715	GSCDEYYY 	C44H54N8O17S	998.3328	NA	PeJP	NA	NA
+PJ124716	GSPCNEMMM 	C37H62N10O14S4	998.333	NA	PeJP	NA	NA
+PJ124717	GCCNNNNNF 	C37H54N14O15S2	998.3335	NA	PeJP	NA	NA
+PJ124718	GPCCMYYY 	C45H58N8O12S3	998.3337	NA	PeJP	NA	NA
+PJ124719	GMMMMMMH 	C38H66N10O9S6	998.3339	NA	PeJP	NA	NA
+PJ124720	CCCCQHFR 	C38H58N14O10S4	998.3344	NA	PeJP	NA	NA
+PJ124721	GDEEEEEY 	C40H54N8O22	998.3353	NA	PeJP	NA	NA
+PJ124722	PDDDEMMF 	C41H58N8O17S2	998.3362	NA	PeJP	NA	NA
+PJ124723	CCCDDERR 	C34H58N14O15S3	998.3369	NA	PeJP	NA	NA
+PJ124724	GTCMMMYY 	C42H62N8O12S4	998.337	NA	PeJP	NA	NA
+PJ124725	SSCCNNWW 	C42H54N12O13S2	998.3375	NA	PeJP	NA	NA
+PJ124726	AEEEEMMM 	C38H62N8O17S3	998.3395	NA	PeJP	NA	NA
+PJ124727	VDDEEMMM 	C38H62N8O17S3	998.3396	NA	PeJP	NA	NA
+PJ124728	SSSSCNNDW 	C38H54N12O18S	998.34	NA	PeJP	NA	NA
+PJ124729	GCCDEMRW 	C39H58N12O13S3	998.3409	NA	PeJP	NA	NA
+PJ124730	SCCEWWW 	C47H54N10O11S2	998.3415	NA	PeJP	NA	NA
+PJ124731	SSSSSSNNDD 	C34H54N12O23	998.3425	NA	PeJP	NA	NA
+PJ124732	GSSCDDEMR 	C35H58N12O18S2	998.3434	NA	PeJP	NA	NA
+HMDB06589	Sialyllacto-N-tetraose a	C37H62N2O29	998.34381	http://www.hmdb.ca/metabolites/HMDB06589	HMDB	NA	NA
+HMDB06593	Sialyllacto-N-neotetraose c	C37H62N2O29	998.34381	http://www.hmdb.ca/metabolites/HMDB06593	HMDB	NA	NA
+HMDB06600	Sialyllacto-N-tetraose b	C37H62N2O29	998.34381	http://www.hmdb.ca/metabolites/HMDB06600	HMDB	NA	NA
+HMDB06608	LS tetrasaccharide d	C37H62N2O29	998.34381	http://www.hmdb.ca/metabolites/HMDB06608	HMDB	NA	NA
+HMDB06631	Sialyllacto-N-tetraose c	C37H62N2O29	998.34381	http://www.hmdb.ca/metabolites/HMDB06631	HMDB	NA	NA
+HMDB06589	Sialyllacto-N-tetraose a	C37H62N2O29	998.34381	HMDB06589	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06593	Sialyllacto-N-neotetraose c	C37H62N2O29	998.34381	HMDB06593	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06600	Sialyllacto-N-tetraose b	C37H62N2O29	998.34381	HMDB06600	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06608	LS tetrasaccharide d	C37H62N2O29	998.34381	HMDB06608	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06631	Sialyllacto-N-tetraose c	C37H62N2O29	998.34381	HMDB06631	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06589	Sialyllacto-N-tetraose a	C37H62N2O29	998.343811	NA	HMDB2010	NA	NA
+HMDB06593	Sialyllacto-N-neotetraose c	C37H62N2O29	998.343811	NA	HMDB2010	NA	NA
+HMDB06600	Sialyllacto-N-tetraose b	C37H62N2O29	998.343811	NA	HMDB2010	NA	NA
+HMDB06608	LS tetrasaccharide d	C37H62N2O29	998.343811	NA	HMDB2010	NA	NA
+HMDB06631	Sialyllacto-N-tetraose c	C37H62N2O29	998.343811	NA	HMDB2010	NA	NA
+PJ124733	SSSCDEWW 	C43H54N10O16S	998.344	NA	PeJP	NA	NA
+PJ124734	GGGDDDMFW 	C43H54N10O16S	998.3441	NA	PeJP	NA	NA
+PJ124735	TTTCCCCKH 	C36H62N12O13S4	998.3442	NA	PeJP	NA	NA
+PJ124736	GSPCCDMMR 	C36H62N12O13S4	998.3443	NA	PeJP	NA	NA
+PJ124737	CCNDDHHR 	C36H54N16O14S2	998.3447	NA	PeJP	NA	NA
+PJ124738	GGGGGGGTCCHH 	C36H54N16O14S2	998.3448	NA	PeJP	NA	NA
+PJ124739	CNEMMWW 	C44H58N10O11S3	998.3449	NA	PeJP	NA	NA
+PJ124740	SSSSSDDEW 	C39H54N10O21	998.3465	NA	PeJP	NA	NA
+PJ124741	GGGGSDEEEY 	C39H54N10O21	998.3466	NA	PeJP	NA	NA
+PJ124742	SSNDEMMW 	C40H58N10O16S2	998.3474	NA	PeJP	NA	NA
+PJ124743	SCDYYYW 	C48H54N8O14S	998.348	NA	PeJP	NA	NA
+PJ124744	SPCNMMMW 	C41H62N10O11S4	998.3483	NA	PeJP	NA	NA
+PJ124745	GCNDMHHW 	C41H54N14O12S2	998.3488	NA	PeJP	NA	NA
+PJ124746	CCMFFYW 	C49H58N8O9S3	998.3489	NA	PeJP	NA	NA
+PJ124747	SSSSNEEEM 	C36H58N10O21S	998.3499	NA	PeJP	NA	NA
+PJ124748	SSSDDYYY 	C44H54N8O19	998.3505	NA	PeJP	NA	NA
+PJ124749	DEEEEYW 	C44H54N8O19	998.3506	NA	PeJP	NA	NA
+PJ124750	SNQEEMMM 	C37H62N10O16S3	998.3508	NA	PeJP	NA	NA
+PJ124751	GSCNNNNNY 	C37H54N14O17S	998.3512	NA	PeJP	NA	NA
+PJ124752	GGGGGSCNNNY 	C37H54N14O17S	998.3513	NA	PeJP	NA	NA
+PJ124753	NDMMYYY 	C45H58N8O14S2	998.3514	NA	PeJP	NA	NA
+PJ124754	STMMMMMH 	C38H66N10O11S5	998.3516	NA	PeJP	NA	NA
+PJ124755	GGPNMMMMM 	C38H66N10O11S5	998.3517	NA	PeJP	NA	NA
+PJ124756	SCCCNQRW 	C38H58N14O12S3	998.3521	NA	PeJP	NA	NA
+PJ124757	ACCMMFFF 	C46H62N8O9S4	998.3523	NA	PeJP	NA	NA
+PJ124758	SPDEEEMY 	C41H58N8O19S	998.3539	NA	PeJP	NA	NA
+PJ124759	SSSCCNNER 	C34H58N14O17S2	998.3546	NA	PeJP	NA	NA
+PJ124760	SSSMMMYY 	C42H62N8O14S3	998.3548	NA	PeJP	NA	NA
+PJ124761	GCNNNEYW 	C42H54N12O15S	998.3553	NA	PeJP	NA	NA
+PJ124762	CCNNQMMR 	C35H62N14O12S4	998.3555	NA	PeJP	NA	NA
+PJ124763	CCDMRWW 	C43H58N12O10S3	998.3561	NA	PeJP	NA	NA
+PJ124764	GGGCCCKWW 	C43H58N12O10S3	998.3562	NA	PeJP	NA	NA
+PJ124765	TTEEEEMM 	C38H62N8O19S2	998.3573	NA	PeJP	NA	NA
+PJ124766	SNDDDDRY 	C38H54N12O20	998.3578	NA	PeJP	NA	NA
+PJ124767	PTEEMMMM 	C39H66N8O14S4	998.3582	NA	PeJP	NA	NA
+PJ124768	SSCDDMRW 	C39H58N12O15S2	998.3586	NA	PeJP	NA	NA
+PJ124769	GGGGGSSTCMW 	C39H58N12O15S2	998.3587	NA	PeJP	NA	NA
+PJ124770	PPMMMMMM 	C40H70N8O9S6	998.359	NA	PeJP	NA	NA
+PJ124771	SDDDHHHH 	C39H50N16O16	998.3591	NA	PeJP	NA	NA
+PJ124772	CNDEFWW 	C47H54N10O13S	998.3593	NA	PeJP	NA	NA
+PJ124773	PTCCCMRW 	C40H62N12O10S4	998.3595	NA	PeJP	NA	NA
+PJ124774	PCCEHHHH 	C40H54N16O11S2	998.36	NA	PeJP	NA	NA
+PJ124775	GCMMWWW 	C48H58N10O8S3	998.3602	NA	PeJP	NA	NA
+PJ124776	SSSSDDDMR 	C35H58N12O20S	998.3611	NA	PeJP	NA	NA
+PJ124777	GGGGGSSSSSEM 	C35H58N12O20S	998.3612	NA	PeJP	NA	NA
+PJ124778	GSNDEEYW 	C43H54N10O18	998.3618	NA	PeJP	NA	NA
+PJ124779	SNDDMMMR 	C36H62N12O15S3	998.362	NA	PeJP	NA	NA
+PJ124780	SSSCNNNHH 	C36H54N16O16S	998.3625	NA	PeJP	NA	NA
+PJ124781	GSSDMMWW 	C44H58N10O13S2	998.3627	NA	PeJP	NA	NA
+PJ124782	PCCQMMMR 	C37H66N12O10S5	998.3629	NA	PeJP	NA	NA
+PJ124783	GSPCCCHHR 	C37H58N16O11S3	998.3634	NA	PeJP	NA	NA
+PJ124784	CCQHHWW 	C45H54N14O9S2	998.364	NA	PeJP	NA	NA
+PJ124785	GSSSSEEMW 	C40H58N10O18S	998.3652	NA	PeJP	NA	NA
+PJ124786	NDDFYYY 	C48H54N8O16	998.3658	NA	PeJP	NA	NA
+PJ124787	GSQEMMMW 	C41H62N10O13S3	998.366	NA	PeJP	NA	NA
+PJ124788	GGGGPDMMMF 	C41H62N10O13S3	998.3661	NA	PeJP	NA	NA
+PJ124789	SSCNEHHW 	C41H54N14O14S	998.3665	NA	PeJP	NA	NA
+PJ124790	ACMYYYW 	C49H58N8O11S2	998.3667	NA	PeJP	NA	NA
+PJ124791	GCMMHHHF 	C42H58N14O9S3	998.3674	NA	PeJP	NA	NA
+PJ124792	GSSSSSTEEE 	C36H58N10O23	998.3677	NA	PeJP	NA	NA
+PJ124793	GSSTQEEMM 	C37H62N10O18S2	998.3685	NA	PeJP	NA	NA
+PJ124794	SSSSNDEHH 	C37H54N14O19	998.369	NA	PeJP	NA	NA
+PJ124795	EEEEMFW 	C45H58N8O16S	998.3692	NA	PeJP	NA	NA
+PJ124796	AQQEMMMM 	C38H66N10O13S4	998.3694	NA	PeJP	NA	NA
+PJ124797	GSSSCCNRW 	C38H58N14O14S2	998.3699	NA	PeJP	NA	NA
+PJ124798	NMMMFYY 	C46H62N8O11S3	998.37	NA	PeJP	NA	NA
+PJ124799	GGMMMFYY 	C46H62N8O11S3	998.3701	NA	PeJP	NA	NA
+PJ124800	CNNNYWW 	C46H54N12O12S	998.3705	NA	PeJP	NA	NA
+PJ124801	CCCCKHFR 	C39H62N14O9S4	998.3708	NA	PeJP	NA	NA
+PJ124802	ATEEEEEY 	C41H58N8O21	998.3717	NA	PeJP	NA	NA
+PJ124803	GSSSSSCNDR 	C34H58N14O19S	998.3724	NA	PeJP	NA	NA
+PJ124804	APEEEMMY 	C42H62N8O16S2	998.3726	NA	PeJP	NA	NA
+PJ124805	SSNNNDYW 	C42H54N12O17	998.373	NA	PeJP	NA	NA
+PJ124806	GGGGGGNDDFF 	C42H54N12O17	998.3731	NA	PeJP	NA	NA
+PJ124807	SCCDEMRR 	C35H62N14O14S3	998.3732	NA	PeJP	NA	NA
+PJ124808	TCCDDMRR 	C35H62N14O14S3	998.3733	NA	PeJP	NA	NA
+PJ124809	PPDMMMMF 	C43H66N8O11S4	998.3734	NA	PeJP	NA	NA
+PJ124810	GPCCDRYW 	C43H58N12O12S2	998.3739	NA	PeJP	NA	NA
+PJ124811	PCCCMMRR 	C36H66N14O9S5	998.3741	NA	PeJP	NA	NA
+PJ124812	GCDFWWW 	C51H54N10O10S	998.3746	NA	PeJP	NA	NA
+PJ124813	SLEEEMMM 	C39H66N8O16S3	998.3759	NA	PeJP	NA	NA
+PJ124814	SSSSSNNMW 	C39H58N12O17S	998.3764	NA	PeJP	NA	NA
+PJ124815	PVEMMMMM 	C40H70N8O11S5	998.3768	NA	PeJP	NA	NA
+PJ124816	SNDEYWW 	C47H54N10O15	998.377	NA	PeJP	NA	NA
+PJ124817	GGSDEYWW 	C47H54N10O15	998.3771	NA	PeJP	NA	NA
+PJ124818	GSCEMMRW 	C40H62N12O12S3	998.3773	NA	PeJP	NA	NA
+PJ124819	CNNNNHHF 	C40H54N16O13S	998.3777	NA	PeJP	NA	NA
+PJ124820	GGGGCNNHHF 	C40H54N16O13S	998.3778	NA	PeJP	NA	NA
+PJ124821	STCMWWW 	C48H58N10O10S2	998.3779	NA	PeJP	NA	NA
+PJ124822	SSSSSSSNQE 	C35H58N12O22	998.3789	NA	PeJP	NA	NA
+PJ124823	GSSSDEMMR 	C36H62N12O17S2	998.3798	NA	PeJP	NA	NA
+PJ124824	NNNDDDHR 	C36H54N16O18	998.3802	NA	PeJP	NA	NA
+PJ124825	GGNNDDDHR 	C36H54N16O18	998.3803	NA	PeJP	NA	NA
+PJ124826	SSSSEMWW 	C44H58N10O15S	998.3804	NA	PeJP	NA	NA
+PJ124827	GNEMMMMR 	C37H66N12O12S4	998.3806	NA	PeJP	NA	NA
+PJ124828	GGGEMMMMR 	C37H66N12O12S4	998.3807	NA	PeJP	NA	NA
+PJ124829	SCNDMHHR 	C37H58N16O13S2	998.3811	NA	PeJP	NA	NA
+PJ124830	SQMMMWW 	C45H62N10O10S3	998.3813	NA	PeJP	NA	NA
+PJ124831	GSSCHHWW 	C45H54N14O11S	998.3818	NA	PeJP	NA	NA
+PJ124832	CCFFFFW 	C53H58N8O8S2	998.3819	NA	PeJP	NA	NA
+PJ124833	SSSSSTEEW 	C40H58N10O20	998.3829	NA	PeJP	NA	NA
+PJ124834	SSTQEMMW 	C41H62N10O15S2	998.3838	NA	PeJP	NA	NA
+PJ124835	GSSSSDHHW 	C41H54N14O16	998.3843	NA	PeJP	NA	NA
+PJ124836	SSMYYYW 	C49H58N8O13S	998.3844	NA	PeJP	NA	NA
+PJ124837	GSSCCCQRR 	C34H62N16O13S3	998.3845	NA	PeJP	NA	NA
+PJ124838	AAQMMMMW 	C42H66N10O10S4	998.3847	NA	PeJP	NA	NA
+PJ124839	GCCNNFRW 	C42H58N14O11S2	998.3851	NA	PeJP	NA	NA
+PJ124840	GGGGGCCFRW 	C42H58N14O11S2	998.3852	NA	PeJP	NA	NA
+PJ124841	SSSSDKEEM 	C37H62N10O20S	998.3863	NA	PeJP	NA	NA
+PJ124842	SSSTEYYY 	C45H58N8O18	998.3869	NA	PeJP	NA	NA
+PJ124843	GPEEEEFY 	C45H58N8O18	998.387	NA	PeJP	NA	NA
+PJ124844	SSSPTQMMM 	C38H66N10O15S3	998.3871	NA	PeJP	NA	NA
+PJ124845	SNKEEMMM 	C38H66N10O15S3	998.3872	NA	PeJP	NA	NA
+PJ124846	GCDDDRRY 	C38H58N14O16S	998.3876	NA	PeJP	NA	NA
+PJ124847	GGGGGGSCERY 	C38H58N14O16S	998.3877	NA	PeJP	NA	NA
+PJ124848	TQMMYYY 	C46H62N8O13S2	998.3878	NA	PeJP	NA	NA
+PJ124849	PCQKMMMM 	C39H70N10O10S5	998.388	NA	PeJP	NA	NA
+PJ124850	GSPDDHWW 	C46H54N12O14	998.3883	NA	PeJP	NA	NA
+PJ124851	SCCCNKRW 	C39H62N14O11S3	998.3885	NA	PeJP	NA	NA
+PJ124852	SCNQHHHH 	C39H54N18O12S	998.389	NA	PeJP	NA	NA
+PJ124853	APPCCHWW 	C47H58N12O9S2	998.3892	NA	PeJP	NA	NA
+PJ124854	GLEEEEMY 	C42H62N8O18S	998.3903	NA	PeJP	NA	NA
+PJ124855	SSSSCNQMR 	C35H62N14O16S2	998.391	NA	PeJP	NA	NA
+PJ124856	PPTEMMMY 	C43H66N8O13S3	998.3912	NA	PeJP	NA	NA
+PJ124857	GSNNQMYW 	C43H58N12O14S	998.3916	NA	PeJP	NA	NA
+PJ124858	NDDMRYW 	C43H58N12O14S	998.3917	NA	PeJP	NA	NA
+PJ124859	GCDMMMRR 	C36H66N14O11S4	998.3919	NA	PeJP	NA	NA
+PJ124860	GSDYWWW 	C51H54N10O12	998.3923	NA	PeJP	NA	NA
+PJ124861	SCMMRWW 	C44H62N12O9S3	998.3925	NA	PeJP	NA	NA
+PJ124862	DMHHHHW 	C44H54N16O10S	998.393	NA	PeJP	NA	NA
+PJ124863	GSSSSSSSQW 	C39H58N12O19	998.3941	NA	PeJP	NA	NA
+PJ124864	GGGSSSSSSTW 	C39H58N12O19	998.3942	NA	PeJP	NA	NA
+PJ124865	VVEEMMMM 	C40H70N8O13S4	998.3946	NA	PeJP	NA	NA
+PJ124866	SSSDMMRW 	C40H62N12O14S2	998.395	NA	PeJP	NA	NA
+PJ124867	GGGGGGGGVMMY 	C40H62N12O14S2	998.3951	NA	PeJP	NA	NA
+PJ124868	SNNNNNHW 	C40H54N16O15	998.3955	NA	PeJP	NA	NA
+PJ124869	GQEMYWW 	C48H58N10O12S	998.3957	NA	PeJP	NA	NA
+PJ124870	NMMMMRW 	C41H66N12O9S4	998.3959	NA	PeJP	NA	NA
+PJ124871	GTCCHHRW 	C41H58N16O10S2	998.3964	NA	PeJP	NA	NA
+PJ124872	SSSSSEEMR 	C36H62N12O19S	998.3975	NA	PeJP	NA	NA
+PJ124873	GSTQEEYW 	C44H58N10O17	998.3982	NA	PeJP	NA	NA
+PJ124874	SSQEMMMR 	C37H66N12O14S3	998.3984	NA	PeJP	NA	NA
+PJ124875	GSSSCEHHR 	C37H58N16O15S	998.3989	NA	PeJP	NA	NA
+PJ124876	GSTTMMWW 	C45H62N10O12S2	998.399	NA	PeJP	NA	NA
+PJ124877	GGGPTMMYW 	C45H62N10O12S2	998.3991	NA	PeJP	NA	NA
+PJ124878	PCCKMMMR 	C38H70N12O9S5	998.3993	NA	PeJP	NA	NA
+PJ124879	NNNEHWW 	C45H54N14O13	998.3995	NA	PeJP	NA	NA
+PJ124880	ACFFYYW 	C53H58N8O10S	998.3997	NA	PeJP	NA	NA
+PJ124881	GGACMMHHR 	C38H62N16O10S3	998.3998	NA	PeJP	NA	NA
+PJ124882	CCKHHWW 	C46H58N14O8S2	998.4004	NA	PeJP	NA	NA
+PJ124883	GSSTTTEMW 	C41H62N10O17S	998.4015	NA	PeJP	NA	NA
+PJ124884	GNKEEEMY 	C41H62N10O17S	998.4016	NA	PeJP	NA	NA
+PJ124885	PEEEFYW 	C49H58N8O15	998.4022	NA	PeJP	NA	NA
+PJ124886	GSKEMMMW 	C42H66N10O12S3	998.4024	NA	PeJP	NA	NA
+PJ124887	GSCNNRYW 	C42H58N14O13S	998.4029	NA	PeJP	NA	NA
+PJ124888	NMMFFFY 	C50H62N8O10S2	998.4031	NA	PeJP	NA	NA
+PJ124889	SSSSSSSLEE 	C37H62N10O22	998.404	NA	PeJP	NA	NA
+PJ124890	GSSTKEEMM 	C38H66N10O17S2	998.4049	NA	PeJP	NA	NA
+PJ124891	GSSSNNDRY 	C38H58N14O18	998.4054	NA	PeJP	NA	NA
+PJ124892	LEEEMYW 	C46H62N8O15S	998.4056	NA	PeJP	NA	NA
+PJ124893	AQKEMMMM 	C39H70N10O12S4	998.4058	NA	PeJP	NA	NA
+PJ124894	SPCCDRRY 	C39H62N14O13S2	998.4063	NA	PeJP	NA	NA
+PJ124895	GSSSNHHHH 	C39H54N18O14	998.4067	NA	PeJP	NA	NA
+PJ124896	GCERYWW 	C47H58N12O11S	998.4069	NA	PeJP	NA	NA
+PJ124897	STLEEEEY 	C42H62N8O20	998.4081	NA	PeJP	NA	NA
+PJ124898	GSSSSSSNMR 	C35H62N14O18S	998.4088	NA	PeJP	NA	NA
+PJ124899	SPLEEMMY 	C43H66N8O15S2	998.4089	NA	PeJP	NA	NA
+PJ124900	VVDEEMMF 	C43H66N8O15S2	998.409	NA	PeJP	NA	NA
+PJ124901	GSSDERYW 	C43H58N12O16	998.4094	NA	PeJP	NA	NA
+PJ124902	SSCEMMRR 	C36H66N14O13S3	998.4096	NA	PeJP	NA	NA
+PJ124903	PPVMMMMY 	C44H70N8O10S4	998.4098	NA	PeJP	NA	NA
+PJ124904	CNNNNQHR 	C36H58N18O14S	998.4101	NA	PeJP	NA	NA
+PJ124905	GSPCMRYW 	C44H62N12O11S2	998.4103	NA	PeJP	NA	NA
+PJ124906	GPNDHHHW 	C44H54N16O12	998.4108	NA	PeJP	NA	NA
+PJ124907	QMYWWW 	C52H58N10O9S	998.4109	NA	PeJP	NA	NA
+PJ124908	GCCMHHRR 	C37H62N18O9S3	998.411	NA	PeJP	NA	NA
+PJ124909	SSSSSCQKW 	C40H62N12O16S	998.4128	NA	PeJP	NA	NA
+PJ124910	STQEYWW 	C48H58N10O14	998.4134	NA	PeJP	NA	NA
+PJ124911	GGGVDDFFW 	C48H58N10O14	998.4135	NA	PeJP	NA	NA
+PJ124912	GSTMMMRW 	C41H66N12O11S3	998.4137	NA	PeJP	NA	NA
+PJ124913	SSSCHHRW 	C41H58N16O12S	998.4141	NA	PeJP	NA	NA
+PJ124914	AQMMFWW 	C49H62N10O9S2	998.4143	NA	PeJP	NA	NA
+PJ124915	GNNHWWW 	C49H54N14O10	998.4148	NA	PeJP	NA	NA
+PJ124916	SSSSSSSNKE 	C36H62N12O21	998.4153	NA	PeJP	NA	NA
+PJ124917	GSSTTEMMR 	C37H66N12O16S2	998.4161	NA	PeJP	NA	NA
+PJ124918	ASSSTEMMR 	C37H66N12O16S2	998.4162	NA	PeJP	NA	NA
+PJ124919	GDDDEHRR 	C37H58N16O17	998.4166	NA	PeJP	NA	NA
+PJ124920	GGGGGGSEEHR 	C37H58N16O17	998.4167	NA	PeJP	NA	NA
+PJ124921	SSTTTMWW 	C45H62N10O14S	998.4168	NA	PeJP	NA	NA
+PJ124922	GDKMMMMR 	C38H70N12O11S4	998.417	NA	PeJP	NA	NA
+PJ124923	AAYYYYW 	C53H58N8O12	998.4174	NA	PeJP	NA	NA
+PJ124924	GCCNQRRY 	C38H62N16O12S2	998.4175	NA	PeJP	NA	NA
+PJ124925	SKMMMWW 	C46H66N10O9S3	998.4177	NA	PeJP	NA	NA
+PJ124926	NQMHHFW 	C46H58N14O10S	998.4181	NA	PeJP	NA	NA
+PJ124927	PCDHRWW 	C46H58N14O10S	998.4182	NA	PeJP	NA	NA
+PJ124928	SSSTTTTEW 	C41H62N10O19	998.4193	NA	PeJP	NA	NA
+PJ124929	SSTKEMMW 	C42H66N10O14S2	998.4202	NA	PeJP	NA	NA
+PJ124930	NEEEHRW 	C42H58N14O15	998.4206	NA	PeJP	NA	NA
+PJ124931	GGEEEHRW 	C42H58N14O15	998.4207	NA	PeJP	NA	NA
+PJ124932	PCKYYYY 	C50H62N8O12S	998.4208	NA	PeJP	NA	NA
+PJ124933	GSSCCCKRR 	C35H66N16O12S3	998.4209	NA	PeJP	NA	NA
+PJ124934	AAKMMMMW 	C43H70N10O9S4	998.4211	NA	PeJP	NA	NA
+PJ124935	CCEFRRW 	C43H62N14O10S2	998.4215	NA	PeJP	NA	NA
+PJ124936	GNNHHHHF 	C43H54N18O11	998.422	NA	PeJP	NA	NA
+PJ124937	CRYWWW 	C51H58N12O8S	998.4222	NA	PeJP	NA	NA
+PJ124938	SSSTTKEEM 	C38H66N10O19S	998.4227	NA	PeJP	NA	NA
+PJ124939	STTTTYYY 	C46H62N8O17	998.4233	NA	PeJP	NA	NA
+PJ124940	SDKKEMMM 	C39H70N10O14S3	998.4235	NA	PeJP	NA	NA
+PJ124941	GATTKEMMM 	C39H70N10O14S3	998.4236	NA	PeJP	NA	NA
+PJ124942	GSDDMRRY 	C39H62N14O15S	998.424	NA	PeJP	NA	NA
+PJ124943	GGGGGGAAVEMH 	C39H62N14O15S	998.4241	NA	PeJP	NA	NA
+PJ124944	TKMMYYY 	C47H66N8O12S2	998.4242	NA	PeJP	NA	NA
+PJ124945	PCKKMMMM 	C40H74N10O9S5	998.4244	NA	PeJP	NA	NA
+PJ124946	SSDRYWW 	C47H58N12O13	998.4247	NA	PeJP	NA	NA
+PJ124947	APCCMRRY 	C40H66N14O10S3	998.4249	NA	PeJP	NA	NA
+PJ124948	SCNKHHHH 	C40H58N18O11S	998.4254	NA	PeJP	NA	NA
+PJ124949	ACMFRWW 	C48H62N12O8S2	998.4255	NA	PeJP	NA	NA
+PJ124950	SSSSSSSSQR 	C35H62N14O20	998.4265	NA	PeJP	NA	NA
+PJ124951	SVLEEEMY 	C43H66N8O17S	998.4267	NA	PeJP	NA	NA
+PJ124952	SSSSCNKMR 	C36H66N14O15S2	998.4274	NA	PeJP	NA	NA
+PJ124953	PVVEMMMY 	C44H70N8O12S3	998.4276	NA	PeJP	NA	NA
+PJ124954	GSSNNNNHR 	C36H58N18O16	998.4279	NA	PeJP	NA	NA
+PJ124955	SQEMRYW 	C44H62N12O13S	998.428	NA	PeJP	NA	NA
+PJ124956	GGGGGSKMYW 	C44H62N12O13S	998.4281	NA	PeJP	NA	NA
+PJ124957	GSMMMMRR 	C37H70N14O10S4	998.4283	NA	PeJP	NA	NA
+PJ124958	GTTYWWW 	C52H58N10O11	998.4287	NA	PeJP	NA	NA
+PJ124959	GGGGPCCHRR 	C37H62N18O11S2	998.4288	NA	PeJP	NA	NA
+PJ124960	MMMHFFR 	C45H66N12O8S3	998.4289	NA	PeJP	NA	NA
+PJ124961	CNHHFRW 	C45H58N16O9S	998.4294	NA	PeJP	NA	NA
+PJ124962	GSSSSSSSKW 	C40H62N12O18	998.4305	NA	PeJP	NA	NA
+PJ124963	GGGGGSSTKEY 	C40H62N12O18	998.4306	NA	PeJP	NA	NA
+PJ124964	TLLEMMMM 	C41H74N8O12S4	998.4309	NA	PeJP	NA	NA
+PJ124965	SSTTMMRW 	C41H66N12O13S2	998.4314	NA	PeJP	NA	NA
+PJ124966	DDDHRRW 	C41H58N16O14	998.4319	NA	PeJP	NA	NA
+PJ124967	SVQMYWW 	C49H62N10O11S	998.432	NA	PeJP	NA	NA
+PJ124968	GKEMYWW 	C49H62N10O11S	998.4321	NA	PeJP	NA	NA
+PJ124969	GLMMHHHH 	C42H62N16O9S2	998.4328	NA	PeJP	NA	NA
+PJ124970	GTHHHHHH 	C42H54N20O10	998.4332	NA	PeJP	NA	NA
+PJ124971	SSSTTTEMR 	C37H66N12O18S	998.4339	NA	PeJP	NA	NA
+PJ124972	SSSSSPVYW 	C45H62N10O16	998.4345	NA	PeJP	NA	NA
+PJ124973	GSTKEEYW 	C45H62N10O16	998.4346	NA	PeJP	NA	NA
+PJ124974	SSKEMMMR 	C38H70N12O13S3	998.4348	NA	PeJP	NA	NA
+PJ124975	SSCNNRRY 	C38H62N16O14S	998.4352	NA	PeJP	NA	NA
+PJ124976	GGSSCNRRY 	C38H62N16O14S	998.4353	NA	PeJP	NA	NA
+PJ124977	GSPKMMYW 	C46H66N10O11S2	998.4354	NA	PeJP	NA	NA
+PJ124978	GGGGPVMMFF 	C46H66N10O11S2	998.4355	NA	PeJP	NA	NA
+PJ124979	GEEHRWW 	C46H58N14O12	998.4359	NA	PeJP	NA	NA
+PJ124980	PPCCMHRR 	C39H66N16O9S3	998.4361	NA	PeJP	NA	NA
+PJ124981	SSSSTTLMW 	C42H66N10O16S	998.4379	NA	PeJP	NA	NA
+PJ124982	GGSPPPLDEM 	C42H66N10O16S	998.438	NA	PeJP	NA	NA
+PJ124983	PLEEYYW 	C50H62N8O14	998.4386	NA	PeJP	NA	NA
+PJ124984	ATTKMMMW 	C43H70N10O11S3	998.4388	NA	PeJP	NA	NA
+PJ124985	SCERRYW 	C43H62N14O12S	998.4393	NA	PeJP	NA	NA
+PJ124986	CCCCKKRR 	C36H70N16O9S4	998.4395	NA	PeJP	NA	NA
+PJ124987	GVEHWWW 	C51H58N12O10	998.4399	NA	PeJP	NA	NA
+PJ124988	SSSSSTTTLE 	C38H66N10O21	998.4404	NA	PeJP	NA	NA
+PJ124989	SSSSLKEMM 	C39H70N10O16S2	998.4413	NA	PeJP	NA	NA
+PJ124990	SSSDERRY 	C39H62N14O17	998.4418	NA	PeJP	NA	NA
+PJ124991	SPPLEMYY 	C47H66N8O14S	998.4419	NA	PeJP	NA	NA
+PJ124992	PPVTEMYY 	C47H66N8O14S	998.442	NA	PeJP	NA	NA
+PJ124993	AKKEMMMM 	C40H74N10O11S4	998.4422	NA	PeJP	NA	NA
+PJ124994	NEMMRRY 	C40H66N14O12S2	998.4426	NA	PeJP	NA	NA
+PJ124995	GGEMMRRY 	C40H66N14O12S2	998.4427	NA	PeJP	NA	NA
+PJ124996	PPVMMMFF 	C48H70N8O9S3	998.4428	NA	PeJP	NA	NA
+PJ124997	SPNDHHHR 	C40H58N18O13	998.4431	NA	PeJP	NA	NA
+PJ124998	GGGGGGGGLHHH 	C40H58N18O13	998.4432	NA	PeJP	NA	NA
+PJ124999	GTMRYWW 	C48H62N12O10S	998.4433	NA	PeJP	NA	NA
+PJ125000	QFFWWW 	C56H58N10O8	998.4439	NA	PeJP	NA	NA
+PJ125001	GAFFWWW 	C56H58N10O8	998.444	NA	PeJP	NA	NA
+PJ125002	GSSSSSTCKR 	C36H66N14O17S	998.4451	NA	PeJP	NA	NA
+PJ125003	ALLEEMMY 	C44H70N8O14S2	998.4453	NA	PeJP	NA	NA
+PJ125004	GSTTERYW 	C44H62N12O15	998.4458	NA	PeJP	NA	NA
+PJ125005	SSTMMMRR 	C37H70N14O12S3	998.446	NA	PeJP	NA	NA
+PJ125006	PVLMMMMF 	C45H74N8O9S4	998.4462	NA	PeJP	NA	NA
+PJ125007	GNNDMHRR 	C37H62N18O13S	998.4465	NA	PeJP	NA	NA
+PJ125008	VNMMRYW 	C45H66N12O10S2	998.4467	NA	PeJP	NA	NA
+PJ125009	SNNHRWW 	C45H58N16O11	998.4471	NA	PeJP	NA	NA
+PJ125010	GGGGSHRWW 	C45H58N16O11	998.4472	NA	PeJP	NA	NA
+PJ125011	KMYWWW 	C53H62N10O8S	998.4473	NA	PeJP	NA	NA
+PJ125012	SSSSSCKKW 	C41H66N12O15S	998.4492	NA	PeJP	NA	NA
+PJ125013	VLLMMMMM 	C42H78N8O9S5	998.4496	NA	PeJP	NA	NA
+PJ125014	STKEYWW 	C49H62N10O13	998.4498	NA	PeJP	NA	NA
+PJ125015	TCCCKKKW 	C42H70N12O10S3	998.45	NA	PeJP	NA	NA
+PJ125016	GGGLMMMFR 	C42H70N12O10S3	998.4501	NA	PeJP	NA	NA
+PJ125017	NQQMHRW 	C42H62N16O11S	998.4505	NA	PeJP	NA	NA
+PJ125018	AKMMFWW 	C50H66N10O8S2	998.4507	NA	PeJP	NA	NA
+PJ125019	EHRWWW 	C50H58N14O9	998.4512	NA	PeJP	NA	NA
+PJ125020	SSSSSSSDKK 	C37H66N12O20	998.4517	NA	PeJP	NA	NA
+PJ125021	SSSSTLMMR 	C38H70N12O15S2	998.4525	NA	PeJP	NA	NA
+PJ125022	GSEEEHRR 	C38H62N16O16	998.453	NA	PeJP	NA	NA
+PJ125023	GGGGGGGGAAPER 	C38H62N16O16	998.4531	NA	PeJP	NA	NA
+PJ125024	DKKEMYW 	C46H66N10O13S	998.4532	NA	PeJP	NA	NA
+PJ125025	ATKMMMMR 	C39H74N12O10S4	998.4534	NA	PeJP	NA	NA
+PJ125026	VNFFFYY 	C54H62N8O11	998.4538	NA	PeJP	NA	NA
+PJ125027	CDMRRRY 	C39H66N16O11S2	998.4539	NA	PeJP	NA	NA
+PJ125028	GNNQHHHR 	C39H58N20O12	998.4544	NA	PeJP	NA	NA
+PJ125029	SPMHRWW 	C47H62N14O9S	998.4545	NA	PeJP	NA	NA
+PJ125030	VHWWWW 	C55H58N12O7	998.4552	NA	PeJP	NA	NA
+PJ125031	STTTTTTTW 	C42H66N10O18	998.4557	NA	PeJP	NA	NA
+PJ125032	TTTTKMMW 	C43H70N10O13S2	998.4566	NA	PeJP	NA	NA
+PJ125033	DKEEHRW 	C43H62N14O14	998.457	NA	PeJP	NA	NA
+PJ125034	GGGGSPPERW 	C43H62N14O14	998.4571	NA	PeJP	NA	NA
+PJ125035	CLKFYYY 	C51H66N8O11S	998.4572	NA	PeJP	NA	NA
+PJ125036	GMMRRYW 	C44H66N14O9S2	998.4579	NA	PeJP	NA	NA
+PJ125037	EHHHHFR 	C44H58N18O10	998.4584	NA	PeJP	NA	NA
+PJ125038	STTTTTKEM 	C39H70N10O18S	998.459	NA	PeJP	NA	NA
+PJ125039	TTTTTTDKM 	C39H70N10O18S	998.4591	NA	PeJP	NA	NA
+PJ125040	SPVLEEYY 	C47H66N8O16	998.4597	NA	PeJP	NA	NA
+PJ125041	TTKKEMMM 	C40H74N10O13S3	998.4599	NA	PeJP	NA	NA
+PJ125042	GSTEMRRY 	C40H66N14O14S	998.4604	NA	PeJP	NA	NA
+PJ125043	PPVVMMYY 	C48H70N8O11S2	998.4606	NA	PeJP	NA	NA
+PJ125044	STTRYWW 	C48H62N12O12	998.461	NA	PeJP	NA	NA
+PJ125045	PPEERWW 	C48H62N12O12	998.4611	NA	PeJP	NA	NA
+PJ125046	QMMMFRR 	C41H70N14O9S3	998.4613	NA	PeJP	NA	NA
+PJ125047	CNQHRRW 	C41H62N18O10S	998.4617	NA	PeJP	NA	NA
+PJ125048	GGCQHRRW 	C41H62N18O10S	998.4618	NA	PeJP	NA	NA
+PJ125049	VHHHHFW 	C49H58N16O8	998.4624	NA	PeJP	NA	NA
+PJ125050	SSSSSSSSKR 	C36H66N14O19	998.4629	NA	PeJP	NA	NA
+PJ125051	TTLLEEMY 	C44H70N8O16S	998.4631	NA	PeJP	NA	NA
+PJ125052	SSSTCCKKR 	C37H70N14O14S2	998.4638	NA	PeJP	NA	NA
+PJ125053	PTLLMMMY 	C45H74N8O11S3	998.464	NA	PeJP	NA	NA
+PJ125054	SSNNEHRR 	C37H62N18O15	998.4642	NA	PeJP	NA	NA
+PJ125055	GGSSNEHRR 	C37H62N18O15	998.4643	NA	PeJP	NA	NA
+PJ125056	SKEMRYW 	C45H66N12O12S	998.4644	NA	PeJP	NA	NA
+PJ125057	GGGGGAPPLMW 	C45H66N12O12S	998.4645	NA	PeJP	NA	NA
+PJ125058	CCCKKKMR 	C38H74N14O9S4	998.4647	NA	PeJP	NA	NA
+PJ125059	PPVEWWW 	C53H62N10O10	998.4651	NA	PeJP	NA	NA
+PJ125060	SSTKEERY 	C41H66N12O17	998.4669	NA	PeJP	NA	NA
+PJ125061	GGGGAPPTKEE 	C41H66N12O17	998.467	NA	PeJP	NA	NA
+PJ125062	AAKEMMRY 	C42H70N12O12S2	998.4678	NA	PeJP	NA	NA
+PJ125063	NNNRRYY 	C42H62N16O13	998.4682	NA	PeJP	NA	NA
+PJ125064	SEEHRRW 	C42H62N16O13	998.4683	NA	PeJP	NA	NA
+PJ125065	SVKMYWW 	C50H66N10O10S	998.4684	NA	PeJP	NA	NA
+PJ125066	SPPPVMWW 	C50H66N10O10S	998.4685	NA	PeJP	NA	NA
+PJ125067	STTTTTTMR 	C38H70N12O17S	998.4703	NA	PeJP	NA	NA
+PJ125068	SSSLKEYW 	C46H66N10O15	998.4709	NA	PeJP	NA	NA
+PJ125069	PPVDKEEW 	C46H66N10O15	998.471	NA	PeJP	NA	NA
+PJ125070	TTTKMMMR 	C39H74N12O12S3	998.4712	NA	PeJP	NA	NA
+PJ125071	SSPEMHRR 	C39H66N16O13S	998.4716	NA	PeJP	NA	NA
+PJ125072	AAEEMHRR 	C39H66N16O13S	998.4717	NA	PeJP	NA	NA
+PJ125073	LQKMMYW 	C47H70N10O10S2	998.4718	NA	PeJP	NA	NA
+MJ099259	1,6,10-Farnesatrien-3-ol, O-[?-L-Rhamnopyranosyl-(1?4)-?-L-rhamnopyranosyl-(1?2)-[4-(4-hydroxy-3-methoxycinnamoyl)-(E)-?-L-rhamnopyranosyl-(1?6)]-?-D-glucopyranoside] 	C49H74O21	998.472259	NA	MeJP	NA	NA
+PJ125074	SVEHRWW 	C47H62N14O11	998.4723	NA	PeJP	NA	NA
+PJ125075	CMMFRRR 	C40H70N16O8S3	998.4725	NA	PeJP	NA	NA
+PJ125076	GPCHHHRR 	C40H62N20O9S	998.473	NA	PeJP	NA	NA
+PJ125077	ATKKEEMY 	C43H70N10O15S	998.4743	NA	PeJP	NA	NA
+PJ125078	LLEEFYW 	C51H66N8O13	998.475	NA	PeJP	NA	NA
+PJ125079	APKKMMMY 	C44H74N10O10S3	998.4752	NA	PeJP	NA	NA
+PJ125080	STMRRYW 	C44H66N14O11S	998.4757	NA	PeJP	NA	NA
+PJ125081	ATLHWWW 	C52H62N12O9	998.4763	NA	PeJP	NA	NA
+PJ125082	SSSTTTTTTL 	C39H70N10O20	998.4768	NA	PeJP	NA	NA
+PJ125083	SSTTTLKMM 	C40H74N10O15S2	998.4777	NA	PeJP	NA	NA
+PJ125084	SSTTTTKHH 	C40H66N14O16	998.4781	NA	PeJP	NA	NA
+PJ125085	SSTTERRY 	C40H66N14O16	998.4782	NA	PeJP	NA	NA
+PJ125086	APLLEMYY 	C48H70N8O13S	998.4783	NA	PeJP	NA	NA
+PJ125087	ALLEEMFF 	C48H70N8O13S	998.4784	NA	PeJP	NA	NA
+PJ125088	SLKKMMMM 	C41H78N10O10S4	998.4786	NA	PeJP	NA	NA
+PJ125089	DKMMRRY 	C41H70N14O11S2	998.479	NA	PeJP	NA	NA
+PJ125090	GGGPPPCKMR 	C41H70N14O11S2	998.4791	NA	PeJP	NA	NA
+PJ125091	GSSNHRRW 	C41H62N18O12	998.4795	NA	PeJP	NA	NA
+PJ125092	VLQMHWW 	C49H66N12O9S	998.4797	NA	PeJP	NA	NA
+PJ125093	KFFWWW 	C57H62N10O7	998.4803	NA	PeJP	NA	NA
+PJ125094	SLLLEMMY 	C45H74N8O13S2	998.4817	NA	PeJP	NA	NA
+PJ125095	SSSTLRYW 	C45H66N12O14	998.4822	NA	PeJP	NA	NA
+PJ125096	DEMHRRR 	C38H66N18O12S	998.4829	NA	PeJP	NA	NA
+PJ125097	CLKMRYW 	C46H70N12O9S2	998.4831	NA	PeJP	NA	NA
+PJ125098	GPTKHHHW 	C46H62N16O10	998.4835	NA	PeJP	NA	NA
+PJ125099	STTLQMRY 	C42H70N12O14S	998.4855	NA	PeJP	NA	NA
+PJ125100	ATTKEMRY 	C42H70N12O14S	998.4856	NA	PeJP	NA	NA
+PJ125101	APPTLEWW 	C50H66N10O12	998.4862	NA	PeJP	NA	NA
+PJ125102	GVKMMMFR 	C43H74N12O9S3	998.4864	NA	PeJP	NA	NA
+PJ125103	VDMHRRW 	C43H66N16O10S	998.4869	NA	PeJP	NA	NA
+PJ125104	APHFRWW 	C51H62N14O8	998.4876	NA	PeJP	NA	NA
+PJ125105	SSSSSSTTKK 	C38H70N12O19	998.488	NA	PeJP	NA	NA
+PJ125106	SSSTCKKKM 	C39H74N12O14S2	998.4889	NA	PeJP	NA	NA
+PJ125107	ATTEEHRR 	C39H66N16O15	998.4894	NA	PeJP	NA	NA
+PJ125108	GTTLKMYW 	C47H70N10O12S	998.4896	NA	PeJP	NA	NA
+PJ125109	CCKKKKMM 	C40H78N12O9S4	998.4898	NA	PeJP	NA	NA
+HMDB10035	PIP2(16:0/18:0)	C43H85O19P3	998.489807	NA	HMDB2010	NA	NA
+HMDB10059	PIP2(18:0/16:0)	C43H85O19P3	998.489807	NA	HMDB2010	NA	NA
+PJ125110	TKFFFFY 	C55H66N8O10	998.4902	NA	PeJP	NA	NA
+PJ125111	SMMRRRY 	C40H70N16O10S2	998.4903	NA	PeJP	NA	NA
+PJ125112	QEHHHRR 	C40H62N20O11	998.4907	NA	PeJP	NA	NA
+PJ125113	GAEHHHRR 	C40H62N20O11	998.4908	NA	PeJP	NA	NA
+PJ125114	ALMHRWW 	C48H66N14O8S	998.4909	NA	PeJP	NA	NA
+PJ125115	TTTKKEEY 	C43H70N10O17	998.4921	NA	PeJP	NA	NA
+PJ125116	GLKKEMMY 	C44H74N10O12S2	998.4929	NA	PeJP	NA	NA
+PJ125117	AVKKEMMY 	C44H74N10O12S2	998.493	NA	PeJP	NA	NA
+PJ125118	GTTLEHRW 	C44H66N14O13	998.4934	NA	PeJP	NA	NA
+PJ125119	GGGGGGGGPLKW 	C44H66N14O13	998.4935	NA	PeJP	NA	NA
+PJ125120	PPVVMFFY 	C52H70N8O10S	998.4936	NA	PeJP	NA	NA
+PJ125121	GSCQHRRR 	C37H66N20O11S	998.4941	NA	PeJP	NA	NA
+PJ125122	VQHHHRW 	C45H62N18O9	998.4948	NA	PeJP	NA	NA
+PJ125123	GLLLEEYY 	C48H70N8O15	998.4961	NA	PeJP	NA	NA
+PJ125124	SSSLMRRY 	C41H70N14O13S	998.4968	NA	PeJP	NA	NA
+PJ125125	PVVLMMFY 	C49H74N8O10S2	998.497	NA	PeJP	NA	NA
+PJ125126	TLKEHWW 	C49H66N12O11	998.4974	NA	PeJP	NA	NA
+PJ125127	GGAPPTKWW 	C49H66N12O11	998.4975	NA	PeJP	NA	NA
+PJ125128	KMMMFRR 	C42H74N14O8S3	998.4977	NA	PeJP	NA	NA
+PJ125129	CNKHRRW 	C42H66N18O9S	998.4981	NA	PeJP	NA	NA
+PJ125130	VVLLMMMY 	C46H78N8O10S3	998.5003	NA	PeJP	NA	NA
+PJ125131	GPNDERRR 	C38H66N18O14	998.5006	NA	PeJP	NA	NA
+PJ125132	GGGPDERRR 	C38H66N18O14	998.5007	NA	PeJP	NA	NA
+PJ125133	GSCKKKYW 	C46H70N12O11S	998.5008	NA	PeJP	NA	NA
+PJ125134	GLKFYWW 	C54H66N10O9	998.5015	NA	PeJP	NA	NA
+PJ125135	TTTTKERY 	C42H70N12O16	998.5033	NA	PeJP	NA	NA
+PJ125136	GTLKMMRY 	C43H74N12O11S2	998.5042	NA	PeJP	NA	NA
+PJ125137	GSTQKHRW 	C43H66N16O12	998.5046	NA	PeJP	NA	NA
+PJ125138	PQQERRW 	C43H66N16O12	998.5047	NA	PeJP	NA	NA
+PJ125139	GPPLLMWW 	C51H70N10O9S	998.5048	NA	PeJP	NA	NA
+PJ125140	AHHHRRW 	C44H62N20O8	998.506	NA	PeJP	NA	NA
+PJ125141	STTTLKYW 	C47H70N10O14	998.5073	NA	PeJP	NA	NA
+PJ125142	GGPVLLEEW 	C47H70N10O14	998.5074	NA	PeJP	NA	NA
+PJ125143	GTLEMHRR 	C40H70N16O12S	998.508	NA	PeJP	NA	NA
+PJ125144	GGGGGACKKKH 	C40H70N16O12S	998.5081	NA	PeJP	NA	NA
+PJ125145	LKKMMYW 	C48H74N10O9S2	998.5082	NA	PeJP	NA	NA
+MJ099260	3,5,14-Trihydroxy-19-oxocard-20(22)-enolide, 3-O-[?-D-Glucopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-lyxo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-3-O-methyl-ribo-hexopyranoside] 	C50H78O20	998.508644	NA	MeJP	NA	NA
+PJ125146	TTLHRWW 	C48H66N14O10	998.5087	NA	PeJP	NA	NA
+MJ099261	Ulapualide; Ulapualide B 	C51H74N4O16	998.509982	NA	MeJP	NA	NA
+PJ125147	STLKKEMY 	C44H74N10O14S	998.5107	NA	PeJP	NA	NA
+PJ125148	APPLLYYY 	C52H70N8O12	998.5113	NA	PeJP	NA	NA
+PJ125149	LLLEYYW 	C52H70N8O12	998.5114	NA	PeJP	NA	NA
+PJ125150	ALKKMMMF 	C45H78N10O9S3	998.5116	NA	PeJP	NA	NA
+PJ125151	SSSNHRRR 	C37H66N20O13	998.5119	NA	PeJP	NA	NA
+PJ125152	GCLQKKHW 	C45H70N14O10S	998.512	NA	PeJP	NA	NA
+PJ125153	LKEMHRW 	C45H70N14O10S	998.5121	NA	PeJP	NA	NA
+PJ125154	PVKHFWW 	C53H66N12O8	998.5127	NA	PeJP	NA	NA
+PJ125155	TTTTTRRY 	C41H70N14O15	998.5145	NA	PeJP	NA	NA
+PJ125156	APLEEERR 	C41H70N14O15	998.5146	NA	PeJP	NA	NA
+PJ125157	SPLLLMYY 	C49H74N8O12S	998.5147	NA	PeJP	NA	NA
+PJ125158	ACCKKKRY 	C42H74N14O10S2	998.5154	NA	PeJP	NA	NA
+PJ125159	PNDRRRW 	C42H66N18O11	998.5159	NA	PeJP	NA	NA
+PJ125160	VLKMHWW 	C50H70N12O8S	998.5161	NA	PeJP	NA	NA
+PJ125161	GPLLEERW 	C46H70N12O13	998.5186	NA	PeJP	NA	NA
+PJ125162	SPPCQRRR 	C39H70N18O11S	998.5193	NA	PeJP	NA	NA
+PJ125163	APQRRWW 	C47H66N16O9	998.5199	NA	PeJP	NA	NA
+PJ125164	STTLKMRY 	C43H74N12O13S	998.5219	NA	PeJP	NA	NA
+PJ125165	PPLKEEMR 	C43H74N12O13S	998.522	NA	PeJP	NA	NA
+PJ125166	GPVLLEWW 	C51H70N10O11	998.5226	NA	PeJP	NA	NA
+PJ125167	TLMHRRW 	C44H70N16O9S	998.5233	NA	PeJP	NA	NA
+PJ125168	STTLEHRR 	C40H70N16O14	998.5258	NA	PeJP	NA	NA
+PJ125169	PPVLKEMW 	C48H74N10O11S	998.526	NA	PeJP	NA	NA
+PJ125170	PPVVFFFF 	C56H70N8O9	998.5266	NA	PeJP	NA	NA
+PJ125171	GVLMMHRR 	C41H74N16O9S2	998.5267	NA	PeJP	NA	NA
+PJ125172	NNHFRRR 	C41H66N20O10	998.5271	NA	PeJP	NA	NA
+PJ125173	SSSTTLLKY 	C44H74N10O16	998.5285	NA	PeJP	NA	NA
+PJ125174	SVLKKMMY 	C45H78N10O11S2	998.5293	NA	PeJP	NA	NA
+PJ125175	GGAPPLLLMM 	C45H78N10O11S2	998.5294	NA	PeJP	NA	NA
+PJ125176	SSTLLHRW 	C45H70N14O12	998.5298	NA	PeJP	NA	NA
+PJ125177	PVVLMFFF 	C53H74N8O9S	998.53	NA	PeJP	NA	NA
+PJ125178	GSCKHRRR 	C38H70N20O10S	998.5305	NA	PeJP	NA	NA
+PJ125179	VKHHHRW 	C46H66N18O8	998.5311	NA	PeJP	NA	NA
+PJ125180	SVLLLEYY 	C49H74N8O14	998.5325	NA	PeJP	NA	NA
+PJ125181	SSCKKKRY 	C42H74N14O12S	998.5332	NA	PeJP	NA	NA
+PJ125182	VVLLMMFF 	C50H78N8O9S2	998.5334	NA	PeJP	NA	NA
+PJ125183	PLLERWW 	C50H70N12O10	998.5338	NA	PeJP	NA	NA
+PJ125184	PMHFRRR 	C43H70N18O8S	998.5345	NA	PeJP	NA	NA
+PJ125185	GPTQERRR 	C39H70N18O13	998.537	NA	PeJP	NA	NA
+PJ125186	GGGGGGGGVLRR 	C39H70N18O13	998.5371	NA	PeJP	NA	NA
+PJ125187	SPPLLMRW 	C47H74N12O10S	998.5372	NA	PeJP	NA	NA
+PJ125188	PVLLWWW 	C55H70N10O8	998.5379	NA	PeJP	NA	NA
+PJ125189	THHHRRR 	C40H66N22O9	998.5384	NA	PeJP	NA	NA
+PJ125190	GSSTTKKKY 	C43H74N12O15	998.5397	NA	PeJP	NA	NA
+PJ125191	ACKKKKMY 	C44H78N12O10S2	998.5406	NA	PeJP	NA	NA
+PJ125192	PQKERRW 	C44H70N16O11	998.541	NA	PeJP	NA	NA
+PJ125193	GAPKERRW 	C44H70N16O11	998.5411	NA	PeJP	NA	NA
+PJ125194	LKKMFFW 	C52H74N10O8S	998.5412	NA	PeJP	NA	NA
+PJ125195	PVVLKEEW 	C48H74N10O13	998.5437	NA	PeJP	NA	NA
+PJ125196	SSLLMHRR 	C41H74N16O11S	998.5444	NA	PeJP	NA	NA
+MJ099262	3,8,11,12,14-Pentahydroxypregn-5-en-20-one, 11-Ac, 3-O-[?-L-diginopyranosyl-(1?4)-?-L-diginopyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-?-D-oleandropyranoside] 	C51H82O19	998.54503	NA	MeJP	NA	NA
+MJ099263	3,8,12,14,17-Pentahydroxypregn-5-en-20-one, 12-Ac, 3-O-[?-L-cymaropyranosyl-(1?4)-?-D-cymaropyranosyl-(1?4)-diginopyranosyl-(1?4)-?-D-cymaropyranoside] 	C51H82O19	998.54503	NA	MeJP	NA	NA
+MJ099264	Oleanolic acid 3-glycosides; Tetraglycosides, 3-O-[?-D-Xylopyranosyl-(1?3)-?-D-xylopyranosyl-(1?3)-?-L-rhamnopyranosyl-(1?3)-?-D-xylopyranoside] 	C51H82O19	998.54503	NA	MeJP	NA	NA
+PJ125197	PVQKRWW 	C49H70N14O9	998.5451	NA	PeJP	NA	NA
+PJ125198	APPTLLKEM 	C45H78N10O13S	998.5471	NA	PeJP	NA	NA
+PJ125199	APLLLFYY 	C53H74N8O11	998.5477	NA	PeJP	NA	NA
+PJ125200	VVVLEFFF 	C53H74N8O11	998.5478	NA	PeJP	NA	NA
+PJ125201	QQQQRRR 	C38H70N20O12	998.5482	NA	PeJP	NA	NA
+PJ125202	GSPDRRRR 	C38H70N20O12	998.5483	NA	PeJP	NA	NA
+PJ125203	GPPKKMRW 	C46H74N14O9S	998.5484	NA	PeJP	NA	NA
+PJ125204	SPLLEERR 	C42H74N14O14	998.5509	NA	PeJP	NA	NA
+PJ125205	GGPVKKEER 	C42H74N14O14	998.551	NA	PeJP	NA	NA
+PJ125206	ALLLLMYY 	C50H78N8O11S	998.5511	NA	PeJP	NA	NA
+PJ125207	PPVLMMRR 	C43H78N14O9S2	998.5518	NA	PeJP	NA	NA
+PJ125208	PTQRRRW 	C43H70N18O10	998.5523	NA	PeJP	NA	NA
+PJ125209	ALLLQQQW 	C47H74N12O12	998.5549	NA	PeJP	NA	NA
+PJ125210	SPVLLERW 	C47H74N12O12	998.555	NA	PeJP	NA	NA
+PJ125211	APVNMRRR 	C40H74N18O10S	998.5556	NA	PeJP	NA	NA
+PJ125212	GPVQMRRR 	C40H74N18O10S	998.5557	NA	PeJP	NA	NA
+PJ125213	APKRRWW 	C48H70N16O8	998.5563	NA	PeJP	NA	NA
+PJ125214	SSKKKKMY 	C44H78N12O12S	998.5583	NA	PeJP	NA	NA
+PJ125215	GGGGGPLLLKM 	C44H78N12O12S	998.5584	NA	PeJP	NA	NA
+PJ125216	APTLLLWW 	C52H74N10O10	998.559	NA	PeJP	NA	NA
+PJ125217	NNQRRRR 	C37H70N22O11	998.5595	NA	PeJP	NA	NA
+PJ125218	GPKKEERR 	C41H74N16O13	998.5622	NA	PeJP	NA	NA
+PJ125219	AVLKKMFY 	C49H78N10O10S	998.5623	NA	PeJP	NA	NA
+PJ125220	PVLLLQMW 	C49H78N10O10S	998.5624	NA	PeJP	NA	NA
+PJ125221	SSPLLLLQE 	C45H78N10O15	998.5648	NA	PeJP	NA	NA
+PJ125222	GPTLLLKEE 	C45H78N10O15	998.5649	NA	PeJP	NA	NA
+PJ125223	GPPLLLKMM 	C46H82N10O10S2	998.5657	NA	PeJP	NA	NA
+PJ125224	GPVKKERW 	C46H74N14O11	998.5662	NA	PeJP	NA	NA
+PJ125225	PQMRRRR 	C39H74N20O9S	998.5669	NA	PeJP	NA	NA
+PJ125226	TTLLLLYY 	C50H78N8O13	998.5689	NA	PeJP	NA	NA
+PJ125227	PVVLEMRR 	C43H78N14O11S	998.5696	NA	PeJP	NA	NA
+PJ125228	AAPLKKWW 	C51H74N12O9	998.5702	NA	PeJP	NA	NA
+PJ125229	GPTKERRR 	C40H74N18O12	998.5734	NA	PeJP	NA	NA
+PJ125230	APLLLMRW 	C48H78N12O9S	998.5736	NA	PeJP	NA	NA
+PJ125231	VLLLQEER 	C44H78N12O14	998.5761	NA	PeJP	NA	NA
+PJ125232	VLLKKMMH 	C45H82N12O9S2	998.577	NA	PeJP	NA	NA
+PJ125233	PKKERRW 	C45H74N16O10	998.5774	NA	PeJP	NA	NA
+PJ125234	PCRRRRR 	C38H74N22O8S	998.5781	NA	PeJP	NA	NA
+PJ125235	PTLLLKEW 	C49H78N10O12	998.5801	NA	PeJP	NA	NA
+PJ125236	SPPKKMRR 	C42H78N16O10S	998.5808	NA	PeJP	NA	NA
+PJ125237	PVKKRWW 	C50H74N14O8	998.5814	NA	PeJP	NA	NA
+PJ125238	GPVLLLKEM 	C46H82N10O12S	998.5835	NA	PeJP	NA	NA
+PJ125239	ALLLLFFY 	C54H78N8O10	998.5841	NA	PeJP	NA	NA
+PJ125240	VQERRRR 	C39H74N20O11	998.5846	NA	PeJP	NA	NA
+PJ125241	GGLERRRR 	C39H74N20O11	998.5847	NA	PeJP	NA	NA
+PJ125242	ALLLEERR 	C43H78N14O13	998.5873	NA	PeJP	NA	NA
+PJ125243	GGGGGGGVLLKK 	C43H78N14O13	998.5874	NA	PeJP	NA	NA
+PJ125244	PTKRRRW 	C44H74N18O9	998.5887	NA	PeJP	NA	NA
+PJ125245	AVLLLERW 	C48H78N12O11	998.5913	NA	PeJP	NA	NA
+PJ125246	GLLLLERW 	C48H78N12O11	998.5914	NA	PeJP	NA	NA
+PJ125247	GPVKMRRR 	C41H78N18O9S	998.592	NA	PeJP	NA	NA
+PJ125248	PLLLKEMR 	C45H82N12O11S	998.5947	NA	PeJP	NA	NA
+PJ125249	GVLLLLWW 	C53H78N10O9	998.5954	NA	PeJP	NA	NA
+PJ125250	AERRRRR 	C38H74N22O10	998.5959	NA	PeJP	NA	NA
+PJ125251	SPVKKERR 	C42H78N16O12	998.5986	NA	PeJP	NA	NA
+PJ125252	PVLLLKMW 	C50H82N10O9S	998.5987	NA	PeJP	NA	NA
+PJ125253	GLRRRRW 	C43H74N20O8	998.5999	NA	PeJP	NA	NA
+PJ125254	GVVLLLKEE 	C46H82N10O14	998.6012	NA	PeJP	NA	NA
+PJ125255	AALLLLKEE 	C46H82N10O14	998.6013	NA	PeJP	NA	NA
+PJ125256	APTLKKRW 	C47H78N14O10	998.6026	NA	PeJP	NA	NA
+PJ125257	PKMRRRR 	C40H78N20O8S	998.6033	NA	PeJP	NA	NA
+MJ099265	Dolastatin 11; 10-N-Me 	C51H82N8O12	998.60522	NA	MeJP	NA	NA
+PJ125258	VTKKKKMH 	C44H82N14O10S	998.6059	NA	PeJP	NA	NA
+PJ125259	PTLLLMRR 	C44H82N14O10S	998.606	NA	PeJP	NA	NA
+PJ125260	LLLLRWW 	C52H78N12O8	998.6066	NA	PeJP	NA	NA
+PJ125261	AALKERRR 	C41H78N18O11	998.6098	NA	PeJP	NA	NA
+PJ125262	VLLLKEER 	C45H82N12O13	998.6125	NA	PeJP	NA	NA
+PJ125263	LLQKRRW 	C46H78N16O9	998.6138	NA	PeJP	NA	NA
+PJ125264	VVLLLKEW 	C50H82N10O11	998.6165	NA	PeJP	NA	NA
+PJ125265	APLKKMRR 	C43H82N16O9S	998.6172	NA	PeJP	NA	NA
+PJ125266	APTLLLLKM 	C47H86N10O11S	998.6199	NA	PeJP	NA	NA
+PJ125267	VKERRRR 	C40H78N20O10	998.621	NA	PeJP	NA	NA
+PJ125268	SLLLLERR 	C44H82N14O12	998.6237	NA	PeJP	NA	NA
+PJ125269	VVKRRRW 	C45H78N18O8	998.625	NA	PeJP	NA	NA
+PJ125270	SVLLLLRW 	C49H82N12O10	998.6277	NA	PeJP	NA	NA
+PJ125271	LLLLLQMR 	C46H86N12O10S	998.6311	NA	PeJP	NA	NA
+PJ125272	SLRRRRR 	C39H78N22O9	998.6323	NA	PeJP	NA	NA
+PJ125273	GLLKKERR 	C43H82N16O11	998.6349	NA	PeJP	NA	NA
+PJ125274	ALLDKKRR 	C43H82N16O11	998.635	NA	PeJP	NA	NA
+PJ125275	GTLLLLLKE 	C47H86N10O13	998.6376	NA	PeJP	NA	NA
+PJ125276	GVLLKKRW 	C48H82N14O9	998.639	NA	PeJP	NA	NA
+PJ125277	VVLLLMRR 	C45H86N14O9S	998.6423	NA	PeJP	NA	NA
+PJ125278	GTLLKRRR 	C42H82N18O10	998.6462	NA	PeJP	NA	NA
+PJ125279	GTTLLLLLR 	C46H86N12O12	998.6489	NA	PeJP	NA	NA
+PJ125280	LLKKRRW 	C47H82N16O8	998.6502	NA	PeJP	NA	NA
+PJ125281	TLLLLLKW 	C51H86N10O10	998.6529	NA	PeJP	NA	NA
+MJ099266	Antibiotic IB 96212 	C54H94O16	998.654186	NA	MeJP	NA	NA
+PJ125282	GVLLLLLKM 	C48H90N10O10S	998.6563	NA	PeJP	NA	NA
+PJ125283	QKKKRRR 	C41H82N20O9	998.6574	NA	PeJP	NA	NA
+PJ125284	VVLKKKER 	C45H86N14O11	998.6601	NA	PeJP	NA	NA
+PJ125285	ALLLKKKW 	C50H86N12O9	998.6641	NA	PeJP	NA	NA
+PJ125286	LLLLLKMR 	C47H90N12O9S	998.6675	NA	PeJP	NA	NA
+PJ125287	SVLLKKRR 	C44H86N16O10	998.6713	NA	PeJP	NA	NA
+PJ125288	SSLLLLLLK 	C48H90N10O12	998.674	NA	PeJP	NA	NA
+PJ125289	GVKKKKRR 	C43H86N18O9	998.6826	NA	PeJP	NA	NA
+PJ125290	GSLLLLKKK 	C47H90N12O11	998.6852	NA	PeJP	NA	NA
+PJ125291	LLLKKKKE 	C47H90N12O11	998.6853	NA	PeJP	NA	NA
+PJ125292	KKKKRRR 	C42H86N20O8	998.6938	NA	PeJP	NA	NA
+PJ125293	TLLLKKKR 	C46H90N14O10	998.6965	NA	PeJP	NA	NA
+PJ125294	ALKKKKKR 	C45H90N16O9	998.7077	NA	PeJP	NA	NA
+PJ125295	VLKKKKKK 	C47H94N14O9	998.7329	NA	PeJP	NA	NA
+HMDB10553	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C67H98O6	998.736328	NA	HMDB2010	NA	NA
+HMDB10559	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C67H98O6	998.736328	NA	HMDB2010	NA	NA
+PJ125296	CCCCCCCEM 	C31H53N9O12S8	999.158	NA	PeJP	NA	NA
+PJ125297	PCCCCCCCY 	C35H53N9O11S7	999.191	NA	PeJP	NA	NA
+PJ125298	TCCCCCCMM 	C32H57N9O11S8	999.1944	NA	PeJP	NA	NA
+PJ125299	GCCCCCDMY 	C35H53N9O13S6	999.2087	NA	PeJP	NA	NA
+PJ125300	ACCCCCCEY 	C35H53N9O13S6	999.2088	NA	PeJP	NA	NA
+PJ125301	SCCCCDDDH 	C33H49N11O17S4	999.2191	NA	PeJP	NA	NA
+PJ125302	PCCCCCCEH 	C34H53N11O12S6	999.22	NA	PeJP	NA	NA
+PJ125303	PCCCDDDDD 	C34H49N9O20S3	999.2256	NA	PeJP	NA	NA
+PJ125304	SSCCCCCEY 	C35H53N9O15S5	999.2265	NA	PeJP	NA	NA
+PJ125305	GCCCCCMMF 	C36H57N9O10S7	999.2274	NA	PeJP	NA	NA
+PJ125306	GCCCCDEMH 	C34H53N11O14S5	999.2377	NA	PeJP	NA	NA
+PJ125307	ACCCCDDMH 	C34H53N11O14S5	999.2378	NA	PeJP	NA	NA
+PJ125308	GCCCCCDFF 	C39H53N9O12S5	999.2418	NA	PeJP	NA	NA
+PJ125309	GCDDDDDDM 	C34H49N9O22S2	999.2434	NA	PeJP	NA	NA
+PJ125310	GSCCCCMMY 	C36H57N9O12S6	999.2451	NA	PeJP	NA	NA
+PJ125311	SCCCCCNQH 	C33H53N13O13S5	999.249	NA	PeJP	NA	NA
+PJ125312	CCCCDMHW 	C38H53N11O11S5	999.253	NA	PeJP	NA	NA
+PJ125313	SCCNNDDDD 	C33H49N11O21S2	999.2546	NA	PeJP	NA	NA
+PJ125314	SSCCCDDMH 	C34H53N11O16S4	999.2555	NA	PeJP	NA	NA
+PJ125315	PTCCCCCMH 	C35H57N11O11S6	999.2564	NA	PeJP	NA	NA
+PJ125316	CCDDDDEW 	C38H49N9O19S2	999.2587	NA	PeJP	NA	NA
+PJ125317	CCCCNEYY 	C39H53N9O14S4	999.2595	NA	PeJP	NA	NA
+PJ125318	SSCDDDDDE 	C34H49N9O24S	999.2612	NA	PeJP	NA	NA
+PJ125319	SPCCDDDDM 	C35H53N9O19S3	999.262	NA	PeJP	NA	NA
+PJ125320	SSTCCCCMY 	C36H57N9O14S5	999.2629	NA	PeJP	NA	NA
+PJ125321	GSSSCCCCNH 	C33H53N13O15S4	999.2667	NA	PeJP	NA	NA
+PJ125322	GPCCCCNDW 	C38H53N11O13S4	999.2708	NA	PeJP	NA	NA
+PJ125323	GCCNNDDEM 	C34H53N11O18S3	999.2733	NA	PeJP	NA	NA
+PJ125324	GSCCCEMMH 	C35H57N11O13S5	999.2741	NA	PeJP	NA	NA
+PJ125325	GCCCCYYW 	C43H53N9O11S4	999.2748	NA	PeJP	NA	NA
+PJ125326	GSSCCCDYY 	C39H53N9O16S3	999.2773	NA	PeJP	NA	NA
+PJ125327	CCCCQMFY 	C40H57N9O11S5	999.2781	NA	PeJP	NA	NA
+PJ125328	GACCCCMFY 	C40H57N9O11S5	999.2782	NA	PeJP	NA	NA
+PJ125329	GSDDDDDMM 	C35H53N9O21S2	999.2798	NA	PeJP	NA	NA
+PJ125330	GPCCDDEMM 	C36H57N9O16S4	999.2807	NA	PeJP	NA	NA
+PJ125331	GCCCCNNHF 	C37H53N13O12S4	999.282	NA	PeJP	NA	NA
+PJ125332	GCCCNDDDR 	C33H53N13O17S3	999.2845	NA	PeJP	NA	NA
+PJ125333	SCCCCCNKH 	C34H57N13O12S5	999.2854	NA	PeJP	NA	NA
+PJ125334	CCNNDDMW 	C38H53N11O15S3	999.2885	NA	PeJP	NA	NA
+PJ125335	SCCCMMHW 	C39H57N11O10S5	999.2894	NA	PeJP	NA	NA
+PJ125336	SSCNNDDDM 	C34H53N11O20S2	999.291	NA	PeJP	NA	NA
+PJ125337	SSSCCDMMH 	C35H57N11O15S4	999.2919	NA	PeJP	NA	NA
+PJ125338	CCNMMMMH 	C36H61N11O10S6	999.2928	NA	PeJP	NA	NA
+PJ125339	GTCCCCHHH 	C36H53N15O11S4	999.2932	NA	PeJP	NA	NA
+PJ125340	NDDDDDEY 	C38H49N9O23	999.2942	NA	PeJP	NA	NA
+PJ125341	SCDDDEMW 	C39H53N9O18S2	999.295	NA	PeJP	NA	NA
+PJ125342	APCCDDDDF 	C39H53N9O18S2	999.2951	NA	PeJP	NA	NA
+PJ125343	PCCDDMMW 	C40H57N9O13S4	999.2959	NA	PeJP	NA	NA
+PJ125344	SSSDDDDEM 	C35H53N9O23S	999.2975	NA	PeJP	NA	NA
+HMDB03945	(2E)-Hexadecenoyl-CoA	C37H60N7O17P3S	999.29791	http://www.hmdb.ca/metabolites/HMDB03945	HMDB	NA	NA
+HMDB03945	(2E)-Hexadecenoyl-CoA	C37H60N7O17P3S	999.29791	HMDB03945	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03945	(2E)-Hexadecenoyl-CoA	C37H60N7O17P3S	999.297913	NA	HMDB2010	NA	NA
+PJ125345	NDDDEMMM 	C36H57N9O18S3	999.2984	NA	PeJP	NA	NA
+PJ125346	GSCDDDDHH 	C36H49N13O19S	999.2989	NA	PeJP	NA	NA
+PJ125347	SPPCCCEMM 	C37H61N9O13S5	999.2993	NA	PeJP	NA	NA
+PJ125348	GSCCCNNNW 	C37H53N13O14S3	999.2997	NA	PeJP	NA	NA
+PJ125349	GGGSCCCNNW 	C37H53N13O14S3	999.2998	NA	PeJP	NA	NA
+PJ125350	GSSSCCNNND 	C33H53N13O19S2	999.3022	NA	PeJP	NA	NA
+PJ125351	GGGSSSCCNND 	C33H53N13O19S2	999.3023	NA	PeJP	NA	NA
+PJ125352	SPCCCCNDR 	C34H57N13O14S4	999.3031	NA	PeJP	NA	NA
+PJ125353	GGGGGGGGGCCMM 	C34H57N13O14S4	999.3032	NA	PeJP	NA	NA
+PJ125354	GCCCNEWW 	C42H53N11O12S3	999.3038	NA	PeJP	NA	NA
+PJ125355	GPDDDDDDH 	C37H49N11O22	999.3054	NA	PeJP	NA	NA
+PJ125356	GSSCCNDEW 	C38H53N11O17S2	999.3063	NA	PeJP	NA	NA
+PJ125357	GSPCCCNMW 	C39H57N11O12S4	999.3071	NA	PeJP	NA	NA
+PJ125358	GGGSPCCCMW 	C39H57N11O12S4	999.3072	NA	PeJP	NA	NA
+PJ125359	GSSSSCNDDE 	C34H53N11O22S	999.3088	NA	PeJP	NA	NA
+PJ125360	GDDDDDYW 	C42H49N9O20	999.3094	NA	PeJP	NA	NA
+PJ125361	GSCNNDEMM 	C35H57N11O17S3	999.3096	NA	PeJP	NA	NA
+PJ125362	CDDDDMMR 	C35H57N11O17S3	999.3097	NA	PeJP	NA	NA
+PJ125363	PCCDDDFW 	C43H53N9O15S2	999.3103	NA	PeJP	NA	NA
+PJ125364	GSTCCMMMH 	C36H61N11O12S5	999.3105	NA	PeJP	NA	NA
+PJ125365	SSSCCCHHH 	C36H53N15O13S3	999.311	NA	PeJP	NA	NA
+PJ125366	CCCCQFFF 	C44H57N9O10S4	999.3112	NA	PeJP	NA	NA
+PJ125367	GSPCDDDEY 	C39H53N9O20S	999.3128	NA	PeJP	NA	NA
+PJ125368	ASSTCCCYY 	C40H57N9O15S3	999.3136	NA	PeJP	NA	NA
+PJ125369	GDDDMMMW 	C40H57N9O15S3	999.3137	NA	PeJP	NA	NA
+PJ125370	ACCCCNNNR 	C33H57N15O13S4	999.3143	NA	PeJP	NA	NA
+PJ125371	GCCCCNNQR 	C33H57N15O13S4	999.3144	NA	PeJP	NA	NA
+PJ125372	CCCCKMFY 	C41H61N9O10S5	999.3145	NA	PeJP	NA	NA
+PJ125373	PCCCDHHW 	C41H53N13O11S3	999.315	NA	PeJP	NA	NA
+PJ125374	GSSDDEEMM 	C36H57N9O20S2	999.3162	NA	PeJP	NA	NA
+PJ125375	GSPCDEMMM 	C37H61N9O15S4	999.317	NA	PeJP	NA	NA
+PJ125376	GCCNNNNDF 	C37H53N13O16S2	999.3175	NA	PeJP	NA	NA
+PJ125377	GPPCCMMMM 	C38H65N9O10S6	999.3179	NA	PeJP	NA	NA
+PJ125378	CCCCEHFR 	C38H57N13O11S4	999.3184	NA	PeJP	NA	NA
+PJ125379	CCCNWWW 	C46H53N11O9S3	999.319	NA	PeJP	NA	NA
+PJ125380	GSCCNDDMR 	C34H57N13O16S3	999.3209	NA	PeJP	NA	NA
+PJ125381	SSCCNDWW 	C42H53N11O14S2	999.3215	NA	PeJP	NA	NA
+PJ125382	GPCCCCQMR 	C35H61N13O11S5	999.3218	NA	PeJP	NA	NA
+PJ125383	ACCCMHFW 	C43H57N11O9S4	999.3224	NA	PeJP	NA	NA
+PJ125384	SSSSCNDDW 	C38H53N11O19S	999.324	NA	PeJP	NA	NA
+PJ125385	GGGGGGDDDMY 	C38H53N11O19S	999.3241	NA	PeJP	NA	NA
+PJ125386	SCNNDMMW 	C39H57N11O14S3	999.3249	NA	PeJP	NA	NA
+PJ125387	CCCNHHHF 	C40H53N15O10S3	999.3262	NA	PeJP	NA	NA
+PJ125388	GGCCCHHHF 	C40H53N15O10S3	999.3263	NA	PeJP	NA	NA
+PJ125389	SSSSSSNDDD 	C34H53N11O24	999.3265	NA	PeJP	NA	NA
+PJ125390	SSSNNDDMM 	C35H57N11O19S2	999.3274	NA	PeJP	NA	NA
+PJ125391	SPCDDDYW 	C43H53N9O17S	999.3281	NA	PeJP	NA	NA
+PJ125392	SSSSCMMMH 	C36H61N11O14S4	999.3283	NA	PeJP	NA	NA
+PJ125393	GSCCNNEHH 	C36H53N15O15S2	999.3287	NA	PeJP	NA	NA
+PJ125394	CCDDDHHR 	C36H53N15O15S2	999.3288	NA	PeJP	NA	NA
+PJ125395	CDEMMWW 	C44H57N9O12S3	999.3289	NA	PeJP	NA	NA
+PJ125396	SDDDQEEY 	C39H53N9O22	999.3305	NA	PeJP	NA	NA
+PJ125397	SNDDEEEY 	C39H53N9O22	999.3306	NA	PeJP	NA	NA
+PJ125398	SSDDEMMW 	C40H57N9O17S2	999.3314	NA	PeJP	NA	NA
+PJ125399	SSCCCNNNR 	C33H57N15O15S3	999.3321	NA	PeJP	NA	NA
+PJ125400	SPCDMMMW 	C41H61N9O12S4	999.3323	NA	PeJP	NA	NA
+PJ125401	GCDDMHHW 	C41H53N13O13S2	999.3328	NA	PeJP	NA	NA
+PJ125402	GPCCCCCRR 	C34H61N15O10S5	999.333	NA	PeJP	NA	NA
+PJ125403	SSSSDEEEM 	C36H57N9O22S	999.3339	NA	PeJP	NA	NA
+PJ125404	SNEEEMMM 	C37H61N9O17S3	999.3348	NA	PeJP	NA	NA
+PJ125405	GSCNNNNDY 	C37H53N13O18S	999.3353	NA	PeJP	NA	NA
+PJ125406	DDMMYYY 	C45H57N7O15S2	999.3354	NA	PeJP	NA	NA
+PJ125407	PNDMMMMM 	C38H65N9O12S5	999.3357	NA	PeJP	NA	NA
+PJ125408	SCCCNERW 	C38H57N13O13S3	999.3361	NA	PeJP	NA	NA
+PJ125409	SSSCCNDER 	C34H57N13O18S2	999.3386	NA	PeJP	NA	NA
+PJ125410	GGGGGGGSSSSCM 	C34H57N13O18S2	999.3387	NA	PeJP	NA	NA
+PJ125411	GCNNDEYW 	C42H53N11O16S	999.3393	NA	PeJP	NA	NA
+PJ125412	CCNNEMMR 	C35H61N13O13S4	999.3395	NA	PeJP	NA	NA
+PJ125413	MMMMMYY 	C43H65N7O10S5	999.3397	NA	PeJP	NA	NA
+PJ125414	GSCCQMWW 	C43H57N11O11S3	999.3402	NA	PeJP	NA	NA
+PJ125415	SDDDDDRY 	C38H53N11O21	999.3418	NA	PeJP	NA	NA
+PJ125416	ASSSCNDMW 	C39H57N11O16S2	999.3426	NA	PeJP	NA	NA
+PJ125417	GSSSCNEMW 	C39H57N11O16S2	999.3427	NA	PeJP	NA	NA
+PJ125418	CDDEFWW 	C47H53N9O14S	999.3433	NA	PeJP	NA	NA
+PJ125419	GCNQMMMW 	C40H61N11O11S4	999.3435	NA	PeJP	NA	NA
+PJ125420	SCCNNHHW 	C40H53N15O12S2	999.344	NA	PeJP	NA	NA
+PJ125421	ASSSSSNDDM 	C35H57N11O21S	999.3451	NA	PeJP	NA	NA
+PJ125422	GSSSSSNDEM 	C35H57N11O21S	999.3452	NA	PeJP	NA	NA
+PJ125423	GSDDEEYW 	C43H53N9O19	999.3458	NA	PeJP	NA	NA
+PJ125424	SDDDMMMR 	C36H61N11O16S3	999.346	NA	PeJP	NA	NA
+PJ125425	SSSCNNDHH 	C36H53N15O17S	999.3465	NA	PeJP	NA	NA
+PJ125426	GPCDEMYW 	C44H57N9O14S2	999.3467	NA	PeJP	NA	NA
+PJ125427	PCCEMMMR 	C37H65N11O11S5	999.3469	NA	PeJP	NA	NA
+PJ125428	CNNNMMHH 	C37H57N15O12S3	999.3474	NA	PeJP	NA	NA
+PJ125429	CCCCKFFF 	C45H61N9O9S4	999.3476	NA	PeJP	NA	NA
+PJ125430	CCEHHWW 	C45H53N13O10S2	999.348	NA	PeJP	NA	NA
+PJ125431	GNEEEEMY 	C40H57N9O19S	999.3492	NA	PeJP	NA	NA
+PJ125432	DDDFYYY 	C48H53N7O17	999.3498	NA	PeJP	NA	NA
+PJ125433	ASDEMMMW 	C41H61N9O14S3	999.35	NA	PeJP	NA	NA
+PJ125434	GSEEMMMW 	C41H61N9O14S3	999.3501	NA	PeJP	NA	NA
+PJ125435	SSCDEHHW 	C41H53N13O15S	999.3505	NA	PeJP	NA	NA
+PJ125436	CCCNDMRR 	C34H61N15O12S4	999.3507	NA	PeJP	NA	NA
+PJ125437	GGCCCDMRR 	C34H61N15O12S4	999.3508	NA	PeJP	NA	NA
+PJ125438	APCMMMMW 	C42H65N9O9S5	999.3509	NA	PeJP	NA	NA
+PJ125439	GSCCCRWW 	C42H57N13O10S3	999.3514	NA	PeJP	NA	NA
+PJ125440	ASSSEEEMM 	C37H61N9O19S2	999.3525	NA	PeJP	NA	NA
+PJ125441	GSSTEEEMM 	C37H61N9O19S2	999.3526	NA	PeJP	NA	NA
+PJ125442	SSSSDDEHH 	C37H53N13O20	999.353	NA	PeJP	NA	NA
+PJ125443	GGGGGGDEEEH 	C37H53N13O20	999.3531	NA	PeJP	NA	NA
+PJ125444	AQEEMMMM 	C38H65N9O14S4	999.3534	NA	PeJP	NA	NA
+PJ125445	GSSSCCDRW 	C38H57N13O15S2	999.3539	NA	PeJP	NA	NA
+PJ125446	DMMMFYY 	C46H61N7O12S3	999.3541	NA	PeJP	NA	NA
+PJ125447	CNNDYWW 	C46H53N11O13S	999.3545	NA	PeJP	NA	NA
+PJ125448	GCCNMMRW 	C39H61N13O10S4	999.3548	NA	PeJP	NA	NA
+PJ125449	GSSSSSCDDR 	C34H57N13O20S	999.3564	NA	PeJP	NA	NA
+PJ125450	SSNNDDYW 	C42H53N11O18	999.357	NA	PeJP	NA	NA
+PJ125451	GGGGSSDDYW 	C42H53N11O18	999.3571	NA	PeJP	NA	NA
+PJ125452	GSSCNDMMR 	C35H61N13O15S3	999.3573	NA	PeJP	NA	NA
+PJ125453	GCNNNNNNH 	C35H53N17O16S	999.3577	NA	PeJP	NA	NA
+PJ125454	GGGGGGGCNNNH 	C35H53N17O16S	999.3578	NA	PeJP	NA	NA
+PJ125455	SSSCNMWW 	C43H57N11O13S2	999.3579	NA	PeJP	NA	NA
+PJ125456	GPCCCCKMR 	C36H65N13O10S5	999.3581	NA	PeJP	NA	NA
+PJ125457	CCCNQHHR 	C36H57N17O11S3	999.3586	NA	PeJP	NA	NA
+PJ125458	SSSSSNDMW 	C39H57N11O18S	999.3604	NA	PeJP	NA	NA
+PJ125459	SDDEYWW 	C47H53N9O16	999.3611	NA	PeJP	NA	NA
+PJ125460	SSNNMMMW 	C40H61N11O13S3	999.3613	NA	PeJP	NA	NA
+PJ125461	CNNNDHHF 	C40H53N15O14S	999.3618	NA	PeJP	NA	NA
+PJ125462	PCDMYWW 	C48H57N9O11S2	999.3619	NA	PeJP	NA	NA
+PJ125463	SSSSSSSNEE 	C35H57N11O23	999.3629	NA	PeJP	NA	NA
+PJ125464	SSSSNQEMM 	C36H61N11O18S2	999.3638	NA	PeJP	NA	NA
+HMDB01986	Lacto-N-difucopentaose II	C38H65NO29	999.364197	NA	HMDB2010	NA	NA
+HMDB06580	Lacto-N-difucohexaose	C38H65NO29	999.364197	NA	HMDB2010	NA	NA
+PJ125465	ASNNNNDDH 	C36H53N15O19	999.3642	NA	PeJP	NA	NA
+HMDB01986	Lacto-N-difucopentaose II	C38H65NO29	999.36426	http://www.hmdb.ca/metabolites/HMDB01986	HMDB	NA	NA
+HMDB06580	Lacto-N-difucohexaose	C38H65NO29	999.36426	http://www.hmdb.ca/metabolites/HMDB06580	HMDB	NA	NA
+HMDB01986	Lacto-N-difucopentaose II	C38H65NO29	999.36426	HMDB01986	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06580	Lacto-N-difucohexaose	C38H65NO29	999.36426	HMDB06580	PFEM_hmdb_metabocards_official	NA	NA
+PJ125466	NNDDDDHR 	C36H53N15O19	999.3643	NA	PeJP	NA	NA
+PJ125467	NEEEMYW 	C44H57N9O16S	999.3644	NA	PeJP	NA	NA
+PJ125468	GGPDDDMFF 	C44H57N9O16S	999.3645	NA	PeJP	NA	NA
+PJ125469	SNQQMMMM 	C37H65N11O13S4	999.3646	NA	PeJP	NA	NA
+PJ125470	GDEMMMMR 	C37H65N11O13S4	999.3647	NA	PeJP	NA	NA
+PJ125471	CCNNNNRY 	C37H57N15O14S2	999.3651	NA	PeJP	NA	NA
+PJ125472	GGGGGGGGCCRY 	C37H57N15O14S2	999.3652	NA	PeJP	NA	NA
+PJ125473	SEMMMWW 	C45H61N9O11S3	999.3653	NA	PeJP	NA	NA
+PJ125474	ACCCCRRW 	C38H61N15O9S4	999.366	NA	PeJP	NA	NA
+PJ125475	SSQEEEEY 	C40H57N9O21	999.3669	NA	PeJP	NA	NA
+PJ125476	SPPPDDDEE 	C40H57N9O21	999.367	NA	PeJP	NA	NA
+PJ125477	SSTEEMMW 	C41H61N9O16S2	999.3678	NA	PeJP	NA	NA
+PJ125478	GNNDEEHW 	C41H53N13O17	999.3683	NA	PeJP	NA	NA
+PJ125479	PCEYYYY 	C49H57N7O14S	999.3684	NA	PeJP	NA	NA
+PJ125480	DDMFFYY 	C49H57N7O14S	999.3685	NA	PeJP	NA	NA
+PJ125481	AAEMMMMW 	C42H65N9O11S4	999.3687	NA	PeJP	NA	NA
+PJ125482	GCCNDFRW 	C42H57N13O12S2	999.3692	NA	PeJP	NA	NA
+PJ125483	SSSTTEEEM 	C37H61N9O21S	999.3703	NA	PeJP	NA	NA
+PJ125484	SDKEEMMM 	C38H65N9O16S3	999.3712	NA	PeJP	NA	NA
+PJ125485	SCNNDERY 	C38H57N13O17S	999.3716	NA	PeJP	NA	NA
+PJ125486	GGSCNDERY 	C38H57N13O17S	999.3717	NA	PeJP	NA	NA
+PJ125487	TEMMYYY 	C46H61N7O14S2	999.3718	NA	PeJP	NA	NA
+PJ125488	PTQMMMMM 	C39H69N9O11S5	999.372	NA	PeJP	NA	NA
+PJ125489	GAPTMMMMM 	C39H69N9O11S5	999.3721	NA	PeJP	NA	NA
+PJ125490	SSCCQMRW 	C39H61N13O12S3	999.3725	NA	PeJP	NA	NA
+PJ125491	MMMMFFY 	C47H65N7O9S4	999.3727	NA	PeJP	NA	NA
+PJ125492	SCNEHHHH 	C39H53N17O13S	999.373	NA	PeJP	NA	NA
+PJ125493	CNNMFWW 	C47H57N11O10S2	999.3732	NA	PeJP	NA	NA
+MJ099267	Antibiotic A 2121; Antibiotic A2121-3, 12a-O-Deglycosyl 	C49H61NO21	999.373608	NA	MeJP	NA	NA
+PJ125494	GSSSSSSSSNN 	C34H57N13O22	999.3741	NA	PeJP	NA	NA
+PJ125495	GGGGGSSSSSSSS 	C34H57N13O22	999.3742	NA	PeJP	NA	NA
+PJ125496	SSSSCNEMR 	C35H61N13O17S2	999.375	NA	PeJP	NA	NA
+PJ125497	GSSSSTCWW 	C43H57N11O15S	999.3757	NA	PeJP	NA	NA
+PJ125498	SCNQMMMR 	C36H65N13O12S4	999.3759	NA	PeJP	NA	NA
+PJ125499	GSSCCNHHR 	C36H57N17O13S2	999.3764	NA	PeJP	NA	NA
+PJ125500	GSCCKMWW 	C44H61N11O10S3	999.3765	NA	PeJP	NA	NA
+PJ125501	GGPCCCKFW 	C44H61N11O10S3	999.3766	NA	PeJP	NA	NA
+PJ125502	GSSSSSSSEW 	C39H57N11O20	999.3782	NA	PeJP	NA	NA
+PJ125503	GSSSSQMMW 	C40H61N11O15S2	999.379	NA	PeJP	NA	NA
+PJ125504	GGGGGAAEMMY 	C40H61N11O15S2	999.3791	NA	PeJP	NA	NA
+PJ125505	SNNNNDHW 	C40H53N15O16	999.3795	NA	PeJP	NA	NA
+PJ125506	GEEMYWW 	C48H57N9O13S	999.3797	NA	PeJP	NA	NA
+PJ125507	DMMMMRW 	C41H65N11O10S4	999.3799	NA	PeJP	NA	NA
+PJ125508	PCMMFWW 	C49H61N9O8S3	999.3806	NA	PeJP	NA	NA
+PJ125509	GSSSSSTQEM 	C36H61N11O20S	999.3815	NA	PeJP	NA	NA
+PJ125510	GSTEEEYW 	C44H57N9O18	999.3822	NA	PeJP	NA	NA
+PJ125511	SSEEMMMR 	C37H65N11O15S3	999.3824	NA	PeJP	NA	NA
+PJ125512	GSPCNDDHR 	C37H57N15O16S	999.3829	NA	PeJP	NA	NA
+PJ125513	GSPEMMYW 	C45H61N9O13S2	999.3831	NA	PeJP	NA	NA
+PJ125514	PTCMMMMR 	C38H69N11O10S5	999.3833	NA	PeJP	NA	NA
+PJ125515	NNDEHWW 	C45H53N13O14	999.3835	NA	PeJP	NA	NA
+PJ125516	SSCCCRRW 	C38H61N15O11S3	999.3838	NA	PeJP	NA	NA
+PJ125517	CLMMMWW 	C46H65N9O8S4	999.3839	NA	PeJP	NA	NA
+PJ125518	TCMHHWW 	C46H57N13O9S2	999.3844	NA	PeJP	NA	NA
+PJ125519	GDKEEEMY 	C41H61N9O18S	999.3856	NA	PeJP	NA	NA
+PJ125520	AEEYYYY 	C49H57N7O16	999.3862	NA	PeJP	NA	NA
+PJ125521	ATTEMMMW 	C42H65N9O13S3	999.3864	NA	PeJP	NA	NA
+PJ125522	GSCNDRYW 	C42H57N13O14S	999.3869	NA	PeJP	NA	NA
+PJ125523	DMMFFFY 	C50H61N7O11S2	999.3871	NA	PeJP	NA	NA
+PJ125524	QMMMHHW 	C43H61N13O9S3	999.3878	NA	PeJP	NA	NA
+PJ125525	GSCHHHHW 	C43H53N17O10S	999.3883	NA	PeJP	NA	NA
+MJ099268	Urdamycin D 	C53H61NO18	999.388864	NA	MeJP	NA	NA
+PJ125526	SSSSLEEMM 	C38H65N9O18S2	999.3889	NA	PeJP	NA	NA
+PJ125527	GSSSNDDRY 	C38H57N13O19	999.3894	NA	PeJP	NA	NA
+PJ125528	AKEEMMMM 	C39H69N9O13S4	999.3898	NA	PeJP	NA	NA
+PJ125529	GSSSSCMRW 	C39H61N13O14S2	999.3903	NA	PeJP	NA	NA
+PJ125530	VMMMYYY 	C47H65N7O11S3	999.3904	NA	PeJP	NA	NA
+PJ125531	GSSSDHHHH 	C39H53N17O15	999.3908	NA	PeJP	NA	NA
+PJ125532	SNNMYWW 	C47H57N11O12S	999.3909	NA	PeJP	NA	NA
+PJ125533	ACCCKMRW 	C40H65N13O9S4	999.3912	NA	PeJP	NA	NA
+PJ125534	GNMMHHHH 	C40H57N17O10S2	999.3916	NA	PeJP	NA	NA
+PJ125535	GSSSSSSDMR 	C35H61N13O19S	999.3928	NA	PeJP	NA	NA
+PJ125536	SSSSSSSWW 	C43H57N11O17	999.3934	NA	PeJP	NA	NA
+PJ125537	GGGGPPDEEW 	C43H57N11O17	999.3935	NA	PeJP	NA	NA
+PJ125538	GSSSNMMMR 	C36H65N13O14S3	999.3936	NA	PeJP	NA	NA
+PJ125539	GGGSSSMMMR 	C36H65N13O14S3	999.3937	NA	PeJP	NA	NA
+PJ125540	CNNNNEHR 	C36H57N17O15S	999.3941	NA	PeJP	NA	NA
+PJ125541	GGGGGGGGCEHR 	C36H57N17O15S	999.3942	NA	PeJP	NA	NA
+PJ125542	SSTCCKWW 	C44H61N11O12S2	999.3943	NA	PeJP	NA	NA
+PJ125543	GPDDHHHW 	C44H53N15O13	999.3948	NA	PeJP	NA	NA
+PJ125544	EMYWWW 	C52H57N9O10S	999.3949	NA	PeJP	NA	NA
+PJ125545	PCDFFWW 	C52H57N9O10S	999.395	NA	PeJP	NA	NA
+PJ125546	SSSSSTQMW 	C40H61N11O17S	999.3968	NA	PeJP	NA	NA
+PJ125547	STEEYWW 	C48H57N9O15	999.3974	NA	PeJP	NA	NA
+PJ125548	GGPEEYYW 	C48H57N9O15	999.3975	NA	PeJP	NA	NA
+PJ125549	SSCQKMMW 	C41H65N11O12S3	999.3977	NA	PeJP	NA	NA
+PJ125550	GNNNQMHW 	C41H57N15O13S	999.3981	NA	PeJP	NA	NA
+PJ125551	GGGGGNQMHW 	C41H57N15O13S	999.3982	NA	PeJP	NA	NA
+PJ125552	SPMMYWW 	C49H61N9O10S2	999.3983	NA	PeJP	NA	NA
+PJ125553	TCCCCRRR 	C34H65N17O10S4	999.3984	NA	PeJP	NA	NA
+PJ125554	GNDHWWW 	C49H53N13O11	999.3988	NA	PeJP	NA	NA
+PJ125555	CMMHHRW 	C42H61N15O8S3	999.399	NA	PeJP	NA	NA
+PJ125556	SSSSSSSDKE 	C36H61N11O22	999.3993	NA	PeJP	NA	NA
+PJ125557	STTTTCQQM 	C37H65N11O17S2	999.4001	NA	PeJP	NA	NA
+PJ125558	SSSSNKEMM 	C37H65N11O17S2	999.4002	NA	PeJP	NA	NA
+PJ125559	SNNDEEHR 	C37H57N15O18	999.4006	NA	PeJP	NA	NA
+PJ125560	GGSNDEEHR 	C37H57N15O18	999.4007	NA	PeJP	NA	NA
+PJ125561	DKEEMYW 	C45H61N9O15S	999.4008	NA	PeJP	NA	NA
+PJ125562	ATEMMMMR 	C38H69N11O12S4	999.401	NA	PeJP	NA	NA
+PJ125563	GGGGTKMMMM 	C38H69N11O12S4	999.4011	NA	PeJP	NA	NA
+PJ125564	GCCNERRY 	C38H61N15O13S2	999.4015	NA	PeJP	NA	NA
+PJ125565	AAPMMMYW 	C46H65N9O10S3	999.4017	NA	PeJP	NA	NA
+PJ125566	NNNNNHHH 	C38H53N19O14	999.402	NA	PeJP	NA	NA
+PJ125567	GSPCQHWW 	C46H57N13O11S	999.4022	NA	PeJP	NA	NA
+PJ125568	ACCHHHHR 	C39H57N19O9S2	999.4029	NA	PeJP	NA	NA
+PJ125569	SSKEEEEY 	C41H61N9O20	999.4033	NA	PeJP	NA	NA
+PJ125570	TTTTEMMW 	C42H65N9O15S2	999.4042	NA	PeJP	NA	NA
+PJ125571	GNNNQQYY 	C42H57N13O16	999.4046	NA	PeJP	NA	NA
+PJ125572	DEEEHRW 	C42H57N13O16	999.4047	NA	PeJP	NA	NA
+PJ125573	PTMYYYY 	C50H61N7O13S	999.4048	NA	PeJP	NA	NA
+PJ125574	GSSTCCMRR 	C35H65N15O13S3	999.4049	NA	PeJP	NA	NA
+PJ125575	GTLMMMMW 	C43H69N9O10S4	999.4051	NA	PeJP	NA	NA
+PJ125576	CNQMRYW 	C43H61N13O11S2	999.4055	NA	PeJP	NA	NA
+PJ125577	GGGGAPMMHW 	C43H61N13O11S2	999.4056	NA	PeJP	NA	NA
+PJ125578	MMMFFFF 	C51H65N7O8S3	999.4057	NA	PeJP	NA	NA
+PJ125579	GNDHHHHF 	C43H53N17O12	999.406	NA	PeJP	NA	NA
+PJ125580	CNHFFFW 	C51H57N11O9S	999.4062	NA	PeJP	NA	NA
+PJ125581	STTTTTEEM 	C38H65N9O20S	999.4067	NA	PeJP	NA	NA
+PJ125582	SPTTTTMMM 	C39H69N9O15S3	999.4075	NA	PeJP	NA	NA
+PJ125583	TTKEEMMM 	C39H69N9O15S3	999.4076	NA	PeJP	NA	NA
+PJ125584	SSSSSTCRW 	C39H61N13O16S	999.408	NA	PeJP	NA	NA
+PJ125585	GGGGGGGSTCKY 	C39H61N13O16S	999.4081	NA	PeJP	NA	NA
+PJ125586	PTKMMMMM 	C40H73N9O10S5	999.4084	NA	PeJP	NA	NA
+PJ125587	GSSSQYWW 	C47H57N11O14	999.4087	NA	PeJP	NA	NA
+PJ125588	SSCCKMRW 	C40H65N13O11S3	999.4089	NA	PeJP	NA	NA
+PJ125589	GCNNNHRW 	C40H57N17O12S	999.4094	NA	PeJP	NA	NA
+PJ125590	CCQKFWW 	C48H61N11O9S2	999.4096	NA	PeJP	NA	NA
+PJ125591	SSSSSSSSER 	C35H61N13O21	999.4105	NA	PeJP	NA	NA
+PJ125592	SSSSSQMMR 	C36H65N13O16S2	999.4114	NA	PeJP	NA	NA
+PJ125593	GSSNNNDHR 	C36H57N17O17	999.4119	NA	PeJP	NA	NA
+PJ125594	GSTQQMYW 	C44H61N11O14S	999.412	NA	PeJP	NA	NA
+PJ125595	SEEMRYW 	C44H61N11O14S	999.4121	NA	PeJP	NA	NA
+PJ125596	SCNKMMMR 	C37H69N13O11S4	999.4123	NA	PeJP	NA	NA
+PJ125597	GPEYYWW 	C52H57N9O12	999.4127	NA	PeJP	NA	NA
+PJ125598	PCCNDHRR 	C37H61N17O12S2	999.4128	NA	PeJP	NA	NA
+PJ125599	APPMMMHW 	C45H65N11O9S3	999.4129	NA	PeJP	NA	NA
+PJ125600	CDHHFRW 	C45H57N15O10S	999.4134	NA	PeJP	NA	NA
+PJ125601	GSSSSSTTTW 	C40H61N11O19	999.4145	NA	PeJP	NA	NA
+PJ125602	SSTEEERY 	C40H61N11O19	999.4146	NA	PeJP	NA	NA
+PJ125603	GSSSSKMMW 	C41H65N11O14S2	999.4154	NA	PeJP	NA	NA
+PJ125604	GGGGAPPPEMM 	C41H65N11O14S2	999.4155	NA	PeJP	NA	NA
+PJ125605	GSNDEHRW 	C41H57N15O15	999.4159	NA	PeJP	NA	NA
+PJ125606	SVEMYWW 	C49H61N9O12S	999.4161	NA	PeJP	NA	NA
+PJ125607	ACCKKMMW 	C42H69N11O9S4	999.4163	NA	PeJP	NA	NA
+PJ125608	CCNRRYW 	C42H61N15O10S2	999.4168	NA	PeJP	NA	NA
+PJ125609	GMHHFWW 	C50H57N13O8S	999.4174	NA	PeJP	NA	NA
+PJ125610	GSSSSSTKEM 	C37H65N11O19S	999.4179	NA	PeJP	NA	NA
+PJ125611	SSSLEEYW 	C45H61N9O17	999.4186	NA	PeJP	NA	NA
+PJ125612	TTTEMMMR 	C38H69N11O14S3	999.4188	NA	PeJP	NA	NA
+PJ125613	SSCNDRRY 	C38H61N15O15S	999.4193	NA	PeJP	NA	NA
+PJ125614	LQEMMYW 	C46H65N9O12S2	999.4194	NA	PeJP	NA	NA
+PJ125615	AAVEMMYW 	C46H65N9O12S2	999.4195	NA	PeJP	NA	NA
+PJ125616	GLMMMMMR 	C39H73N11O9S5	999.4197	NA	PeJP	NA	NA
+PJ125617	SQQEHWW 	C46H57N13O13	999.4199	NA	PeJP	NA	NA
+PJ125618	GCCQMFRR 	C39H65N15O10S3	999.4201	NA	PeJP	NA	NA
+PJ125619	GGACCMFRR 	C39H65N15O10S3	999.4202	NA	PeJP	NA	NA
+PJ125620	SSCHHHHR 	C39H57N19O11S	999.4206	NA	PeJP	NA	NA
+PJ125621	STLQEEMY 	C42H65N9O17S	999.4219	NA	PeJP	NA	NA
+PJ125622	ATKEEEMY 	C42H65N9O17S	999.422	NA	PeJP	NA	NA
+PJ125623	SLEYYYY 	C50H61N7O15	999.4226	NA	PeJP	NA	NA
+PJ125624	STTLMMMW 	C43H69N9O12S3	999.4228	NA	PeJP	NA	NA
+PJ125625	GSSNMRYW 	C43H61N13O13S	999.4233	NA	PeJP	NA	NA
+PJ125626	VMMFFYY 	C51H65N7O10S2	999.4235	NA	PeJP	NA	NA
+PJ125627	PPNDWWW 	C51H57N11O11	999.4239	NA	PeJP	NA	NA
+PJ125628	GGGGAFYWW 	C51H57N11O11	999.424	NA	PeJP	NA	NA
+PJ125629	KMMMHHW 	C44H65N13O8S3	999.4242	NA	PeJP	NA	NA
+PJ125630	SSTTTLEMM 	C39H69N9O17S2	999.4253	NA	PeJP	NA	NA
+PJ125631	GSSSSQERY 	C39H61N13O18	999.4258	NA	PeJP	NA	NA
+PJ125632	SLKEMMMM 	C40H73N9O12S4	999.4262	NA	PeJP	NA	NA
+PJ125633	GSQQMMRY 	C40H65N13O13S2	999.4266	NA	PeJP	NA	NA
+PJ125634	DEMMRRY 	C40H65N13O13S2	999.4267	NA	PeJP	NA	NA
+PJ125635	SPDDHHHR 	C40H57N17O14	999.4271	NA	PeJP	NA	NA
+PJ125636	GGGGGGVEHHH 	C40H57N17O14	999.4272	NA	PeJP	NA	NA
+PJ125637	SCQKYWW 	C48H61N11O11S	999.4273	NA	PeJP	NA	NA
+PJ125638	PYYWWW 	C56H57N9O9	999.428	NA	PeJP	NA	NA
+PJ125639	GSSSSSTTMR 	C36H65N13O18S	999.4292	NA	PeJP	NA	NA
+PJ125640	SSSNKEYW 	C44H61N11O16	999.4298	NA	PeJP	NA	NA
+PJ125641	GSSTCKMMR 	C37H69N13O13S3	999.43	NA	PeJP	NA	NA
+PJ125642	GNDDMHRR 	C37H61N17O14S	999.4305	NA	PeJP	NA	NA
+PJ125643	VDMMRYW 	C45H65N11O11S2	999.4307	NA	PeJP	NA	NA
+PJ125644	SNDHRWW 	C45H57N15O12	999.4311	NA	PeJP	NA	NA
+PJ125645	GGSDHRWW 	C45H57N15O12	999.4312	NA	PeJP	NA	NA
+PJ125646	APMFYWW 	C53H61N9O9S	999.4313	NA	PeJP	NA	NA
+PJ125647	GCCCFRRR 	C38H65N17O9S3	999.4314	NA	PeJP	NA	NA
+PJ125648	SSSSSTKMW 	C41H65N11O16S	999.4332	NA	PeJP	NA	NA
+PJ125649	PDKEYYW 	C49H61N9O14	999.4338	NA	PeJP	NA	NA
+PJ125650	GGAPEEFFF 	C49H61N9O14	999.4339	NA	PeJP	NA	NA
+PJ125651	SSCKKMMW 	C42H69N11O11S3	999.4341	NA	PeJP	NA	NA
+PJ125652	NQEMHRW 	C42H61N15O12S	999.4345	NA	PeJP	NA	NA
+PJ125653	GGGGGGPPCRW 	C42H61N15O12S	999.4346	NA	PeJP	NA	NA
+PJ125654	ALMMYWW 	C50H65N9O9S2	999.4347	NA	PeJP	NA	NA
+PJ125655	GTQHWWW 	C50H57N13O10	999.4352	NA	PeJP	NA	NA
+PJ125656	SSSSSSTTKE 	C37H65N11O21	999.4357	NA	PeJP	NA	NA
+PJ125657	SSSTTQKMM 	C38H69N11O16S2	999.4365	NA	PeJP	NA	NA
+PJ125658	SSSSDKKMM 	C38H69N11O16S2	999.4366	NA	PeJP	NA	NA
+PJ125659	SSQQEEHR 	C38H61N15O17	999.437	NA	PeJP	NA	NA
+PJ125660	GGGGGGPQEER 	C38H61N15O17	999.4371	NA	PeJP	NA	NA
+PJ125661	GTTLEMYW 	C46H65N9O14S	999.4372	NA	PeJP	NA	NA
+PJ125662	STLMMMMR 	C39H73N11O11S4	999.4374	NA	PeJP	NA	NA
+PJ125663	PTFFYYY 	C54H61N7O12	999.4378	NA	PeJP	NA	NA
+PJ125664	VDFFFYY 	C54H61N7O12	999.4379	NA	PeJP	NA	NA
+PJ125665	AALMMMFW 	C47H69N9O9S3	999.4381	NA	PeJP	NA	NA
+PJ125666	GNNEHHHR 	C39H57N19O13	999.4384	NA	PeJP	NA	NA
+PJ125667	VNQMHWW 	C47H61N13O10S	999.4385	NA	PeJP	NA	NA
+PJ125668	GGVQMHWW 	C47H61N13O10S	999.4386	NA	PeJP	NA	NA
+PJ125669	TTTKEEEY 	C42H65N9O19	999.4397	NA	PeJP	NA	NA
+PJ125670	GLKEEMMY 	C43H69N9O14S2	999.4406	NA	PeJP	NA	NA
+PJ125671	SSSSQRYW 	C43H61N13O15	999.441	NA	PeJP	NA	NA
+PJ125672	GGSPPDERW 	C43H61N13O15	999.4411	NA	PeJP	NA	NA
+PJ125673	VVMYYYY 	C51H65N7O12S	999.4412	NA	PeJP	NA	NA
+PJ125674	PCLKMMMF 	C44H73N9O9S4	999.4415	NA	PeJP	NA	NA
+PJ125675	SCNNNHRR 	C36H61N19O13S	999.4417	NA	PeJP	NA	NA
+PJ125676	GGGGSCNHRR 	C36H61N19O13S	999.4418	NA	PeJP	NA	NA
+PJ125677	CNKMRYW 	C44H65N13O10S2	999.4419	NA	PeJP	NA	NA
+PJ125678	QQQHHHW 	C44H57N17O11	999.4424	NA	PeJP	NA	NA
+PJ125679	PPMHFWW 	C52H61N11O8S	999.4426	NA	PeJP	NA	NA
+PJ125680	SSSTLLMMM 	C40H73N9O14S3	999.4439	NA	PeJP	NA	NA
+PJ125681	SSNDKMRY 	C40H65N13O15S	999.4444	NA	PeJP	NA	NA
+PJ125682	GGGGGGGPPKEM 	C40H65N13O15S	999.4445	NA	PeJP	NA	NA
+PJ125683	VVKMMMMM 	C41H77N9O9S5	999.4448	NA	PeJP	NA	NA
+PJ125684	GSSSKYWW 	C48H61N11O13	999.4451	NA	PeJP	NA	NA
+PJ125685	PCCCKKRY 	C41H69N13O10S3	999.4453	NA	PeJP	NA	NA
+PJ125686	CNEHRRW 	C41H61N17O11S	999.4458	NA	PeJP	NA	NA
+PJ125687	CCKKFWW 	C49H65N11O8S2	999.4459	NA	PeJP	NA	NA
+PJ125688	PTHHHWW 	C49H57N15O9	999.4464	NA	PeJP	NA	NA
+PJ125689	SSSSSSTTTR 	C36H65N13O20	999.4469	NA	PeJP	NA	NA
+PJ125690	SSSSSKMMR 	C37H69N13O15S2	999.4478	NA	PeJP	NA	NA
+PJ125691	SSNDEHRR 	C37H61N17O16	999.4483	NA	PeJP	NA	NA
+PJ125692	GSTQKMYW 	C45H65N11O13S	999.4484	NA	PeJP	NA	NA
+PJ125693	AVVEEMHW 	C45H65N11O13S	999.4485	NA	PeJP	NA	NA
+PJ125694	TCCKKMMR 	C38H73N13O10S4	999.4487	NA	PeJP	NA	NA
+PJ125695	SPVYYWW 	C53H61N9O11	999.4491	NA	PeJP	NA	NA
+PJ125696	VMMMFRW 	C46H69N11O8S3	999.4493	NA	PeJP	NA	NA
+PJ125697	GQMHRWW 	C46H61N15O9S	999.4498	NA	PeJP	NA	NA
+PJ125698	TTTTEERY 	C41H65N11O18	999.4509	NA	PeJP	NA	NA
+PJ125699	SLKEEEEH 	C41H65N11O18	999.451	NA	PeJP	NA	NA
+PJ125700	GTLEMMRY 	C42H69N11O13S2	999.4518	NA	PeJP	NA	NA
+PJ125701	GSTQEHRW 	C42H61N15O14	999.4523	NA	PeJP	NA	NA
+PJ125702	TTLMYWW 	C50H65N9O11S	999.4525	NA	PeJP	NA	NA
+PJ125703	APCCKHRW 	C43H65N15O9S2	999.4532	NA	PeJP	NA	NA
+PJ125704	NNHHHRW 	C43H57N19O10	999.4536	NA	PeJP	NA	NA
+PJ125705	SSSSSSSLKM 	C38H69N11O18S	999.4543	NA	PeJP	NA	NA
+PJ125706	ASPPTTTYY 	C46H65N9O16	999.4549	NA	PeJP	NA	NA
+PJ125707	STTTLEYW 	C46H65N9O16	999.455	NA	PeJP	NA	NA
+PJ125708	GSSTKKMMM 	C39H73N11O13S3	999.4552	NA	PeJP	NA	NA
+PJ125709	SSSNMRRY 	C39H65N15O14S	999.4556	NA	PeJP	NA	NA
+PJ125710	GGSSSMRRY 	C39H65N15O14S	999.4557	NA	PeJP	NA	NA
+PJ125711	LKEMMYW 	C47H69N9O11S2	999.4558	NA	PeJP	NA	NA
+PJ125712	GSPPDRWW 	C47H61N13O12	999.4563	NA	PeJP	NA	NA
+PJ125713	VMFFFFY 	C55H65N7O9S	999.4565	NA	PeJP	NA	NA
+PJ125714	STLKEEMY 	C43H69N9O16S	999.4583	NA	PeJP	NA	NA
+PJ125715	GPPVLEEEM 	C43H69N9O16S	999.4584	NA	PeJP	NA	NA
+PJ125716	SPLKMMMY 	C44H73N9O11S3	999.4592	NA	PeJP	NA	NA
+PJ125717	GSTCKRYW 	C44H65N13O12S	999.4597	NA	PeJP	NA	NA
+PJ125718	PPTQWWW 	C52H61N11O10	999.4603	NA	PeJP	NA	NA
+PJ125719	GCHRRWW 	C45H61N17O8S	999.461	NA	PeJP	NA	NA
+PJ125720	TTTTTTLMM 	C40H73N9O16S2	999.4617	NA	PeJP	NA	NA
+PJ125721	GSSSSKERY 	C40H65N13O17	999.4622	NA	PeJP	NA	NA
+PJ125722	GSQKMMRY 	C41H69N13O12S2	999.463	NA	PeJP	NA	NA
+PJ125723	GGGTKMMRY 	C41H69N13O12S2	999.4631	NA	PeJP	NA	NA
+PJ125724	GSSDHRRW 	C41H61N17O13	999.4635	NA	PeJP	NA	NA
+PJ125725	GGGGGGGAAHFR 	C41H61N17O13	999.4636	NA	PeJP	NA	NA
+PJ125726	SCKKYWW 	C49H65N11O10S	999.4637	NA	PeJP	NA	NA
+PJ125727	LFYWWW 	C57H61N9O8	999.4643	NA	PeJP	NA	NA
+PJ125728	SSSDKKYW 	C45H65N11O15	999.4662	NA	PeJP	NA	NA
+PJ125729	GSQEMHRR 	C38H65N17O13S	999.4669	NA	PeJP	NA	NA
+PJ125730	TLMMRYW 	C46H69N11O10S2	999.4671	NA	PeJP	NA	NA
+PJ125731	STQHRWW 	C46H61N15O11	999.4675	NA	PeJP	NA	NA
+PJ125732	GGGGPQRWW 	C46H61N15O11	999.4676	NA	PeJP	NA	NA
+PJ125733	ALMFFWW 	C54H65N9O8S	999.4677	NA	PeJP	NA	NA
+PJ125734	STTLEMRY 	C42H69N11O15S	999.4696	NA	PeJP	NA	NA
+MJ099269	Cyclosquamosin E 	C50H65N9O13	999.470183	NA	MeJP	NA	NA
+PJ125735	VLQEYYW 	C50H65N9O13	999.4702	NA	PeJP	NA	NA
+PJ125736	GVLMMMRY 	C43H73N11O10S3	999.4704	NA	PeJP	NA	NA
+PJ125737	GGAKKMMMF 	C43H73N11O10S3	999.4705	NA	PeJP	NA	NA
+PJ125738	GPPCERRW 	C43H65N15O11S	999.4709	NA	PeJP	NA	NA
+PJ125739	GTKHWWW 	C51H61N13O9	999.4716	NA	PeJP	NA	NA
+PJ125740	SSSSTTTTTK 	C38H69N11O20	999.4721	NA	PeJP	NA	NA
+PJ125741	SSSTTKKMM 	C39H73N11O15S2	999.4729	NA	PeJP	NA	NA
+PJ125742	GSSSSTRRY 	C39H65N15O16	999.4734	NA	PeJP	NA	NA
+PJ125743	GGGGGGGGGAAPTK 	C39H65N15O16	999.4735	NA	PeJP	NA	NA
+PJ125744	SSTLLMYW 	C47H69N9O13S	999.4736	NA	PeJP	NA	NA
+PJ125745	TCKKKMMM 	C40H77N11O10S4	999.4738	NA	PeJP	NA	NA
+PJ125746	VVFFYYY 	C55H65N7O11	999.4742	NA	PeJP	NA	NA
+PJ125747	GSCKMRRY 	C40H69N15O11S2	999.4743	NA	PeJP	NA	NA
+PJ125748	EEHHHRR 	C40H61N19O12	999.4748	NA	PeJP	NA	NA
+PJ125749	PPQMRWW 	C48H65N13O9S	999.4749	NA	PeJP	NA	NA
+PJ125750	SSSTTLLEY 	C43H69N9O18	999.4761	NA	PeJP	NA	NA
+PJ125751	SVLKEMMY 	C44H73N9O13S2	999.477	NA	PeJP	NA	NA
+PJ125752	SSSSKRYW 	C44H65N13O14	999.4774	NA	PeJP	NA	NA
+PJ125753	GGGPLEERW 	C44H65N13O14	999.4775	NA	PeJP	NA	NA
+PJ125754	GSCEHRRR 	C37H65N19O12S	999.4781	NA	PeJP	NA	NA
+PJ125755	APCKKMHW 	C45H69N13O9S2	999.4783	NA	PeJP	NA	NA
+PJ125756	VEHHHRW 	C45H61N17O10	999.4788	NA	PeJP	NA	NA
+PJ125757	SSTQKMRY 	C41H69N13O14S	999.4808	NA	PeJP	NA	NA
+PJ125758	ALERYYW 	C49H65N11O12	999.4814	NA	PeJP	NA	NA
+PJ125759	GPPTKEWW 	C49H65N11O12	999.4815	NA	PeJP	NA	NA
+PJ125760	LMMMRRY 	C42H73N13O9S3	999.4817	NA	PeJP	NA	NA
+PJ125761	SQMHRRW 	C42H65N17O10S	999.4821	NA	PeJP	NA	NA
+PJ125762	GGTMHRRW 	C42H65N17O10S	999.4822	NA	PeJP	NA	NA
+PJ125763	VVHHHWW 	C50H61N15O8	999.4828	NA	PeJP	NA	NA
+PJ125764	SSTQEHRR 	C38H65N17O15	999.4846	NA	PeJP	NA	NA
+PJ125765	GPDDERRR 	C38H65N17O15	999.4847	NA	PeJP	NA	NA
+PJ125766	GSTKKMYW 	C46H69N11O12S	999.4848	NA	PeJP	NA	NA
+PJ125767	GGGGAPPPLMF 	C46H69N11O12S	999.4849	NA	PeJP	NA	NA
+PJ125768	GLLYYWW 	C54H65N9O10	999.4855	NA	PeJP	NA	NA
+PJ125769	GSNHHHRR 	C39H61N21O11	999.486	NA	PeJP	NA	NA
+PJ125770	PPCRRWW 	C47H65N15O8S	999.4862	NA	PeJP	NA	NA
+PJ125771	GSSTTKKEY 	C42H69N11O17	999.4873	NA	PeJP	NA	NA
+PJ125772	GGAAPLKEEE 	C42H69N11O17	999.4874	NA	PeJP	NA	NA
+PJ125773	SSLLMMRY 	C43H73N11O12S2	999.4882	NA	PeJP	NA	NA
+PJ125774	PQEERRW 	C43H65N15O13	999.4887	NA	PeJP	NA	NA
+PJ125775	PLKMYYW 	C51H69N9O10S	999.4888	NA	PeJP	NA	NA
+PJ125776	GALLMFYW 	C51H69N9O10S	999.4889	NA	PeJP	NA	NA
+PJ125777	VFFFFFF 	C59H65N7O8	999.4895	NA	PeJP	NA	NA
+PJ125778	APKHHHHH 	C44H61N19O9	999.49	NA	PeJP	NA	NA
+PJ125779	AVVKEEYY 	C47H69N9O15	999.4913	NA	PeJP	NA	NA
+PJ125780	PVVLEEEW 	C47H69N9O15	999.4914	NA	PeJP	NA	NA
+PJ125781	SSTCKRRY 	C40H69N15O13S	999.492	NA	PeJP	NA	NA
+PJ125782	GGPPTEMRR 	C40H69N15O13S	999.4921	NA	PeJP	NA	NA
+PJ125783	APLKMMFY 	C48H73N9O10S2	999.4922	NA	PeJP	NA	NA
+PJ125784	PVQERWW 	C48H65N13O11	999.4927	NA	PeJP	NA	NA
+PJ125785	SCHRRRW 	C41H65N19O9S	999.4934	NA	PeJP	NA	NA
+PJ125786	SSSSLLLMY 	C44H73N9O15S	999.4947	NA	PeJP	NA	NA
+PJ125787	ALLKMMMY 	C45H77N9O10S3	999.4956	NA	PeJP	NA	NA
+PJ125788	SSSDHRRR 	C37H65N19O14	999.4959	NA	PeJP	NA	NA
+PJ125789	GPPKEMRW 	C45H69N13O11S	999.4961	NA	PeJP	NA	NA
+PJ125790	PPTKWWW 	C53H65N11O9	999.4967	NA	PeJP	NA	NA
+PJ125791	NMMHRRR 	C38H69N19O9S2	999.4968	NA	PeJP	NA	NA
+PJ125792	PTTTTTNKH 	C41H69N13O16	999.4985	NA	PeJP	NA	NA
+PJ125793	GSSTTTKRY 	C41H69N13O16	999.4986	NA	PeJP	NA	NA
+PJ125794	GSKKMMRY 	C42H73N13O11S2	999.4994	NA	PeJP	NA	NA
+PJ125795	GGAAPPLMMR 	C42H73N13O11S2	999.4995	NA	PeJP	NA	NA
+PJ125796	PDDRRRW 	C42H65N17O12	999.4999	NA	PeJP	NA	NA
+PJ125797	GPPVKMWW 	C50H69N11O9S	999.5001	NA	PeJP	NA	NA
+PJ125798	SSTTKKYW 	C46H69N11O14	999.5026	NA	PeJP	NA	NA
+PJ125799	SPPCERRR 	C39H69N17O12S	999.5033	NA	PeJP	NA	NA
+PJ125800	GLLLMMHW 	C47H73N11O9S2	999.5035	NA	PeJP	NA	NA
+PJ125801	APERRWW 	C47H65N15O10	999.5039	NA	PeJP	NA	NA
+PJ125802	SSKKKEMY 	C43H73N11O14S	999.5059	NA	PeJP	NA	NA
+PJ125803	STDKKKMY 	C43H73N11O14S	999.506	NA	PeJP	NA	NA
+PJ125804	VLKEYYW 	C51H69N9O12	999.5066	NA	PeJP	NA	NA
+PJ125805	GKKKMMMF 	C44H77N11O9S3	999.5068	NA	PeJP	NA	NA
+PJ125806	GNNNNRRR 	C36H65N21O13	999.5071	NA	PeJP	NA	NA
+PJ125807	GGGGGGGGGRRR 	C36H65N21O13	999.5072	NA	PeJP	NA	NA
+PJ125808	GPPTMRRW 	C44H69N15O10S	999.5073	NA	PeJP	NA	NA
+PJ125809	GPLRWWW 	C52H65N13O8	999.508	NA	PeJP	NA	NA
+PJ125810	GPKEEERR 	C40H69N15O15	999.5098	NA	PeJP	NA	NA
+PJ125811	SPVLKMYY 	C48H73N9O12S	999.51	NA	PeJP	NA	NA
+PJ125812	PPVNMMRR 	C41H73N15O10S2	999.5107	NA	PeJP	NA	NA
+PJ125813	NDHFRRR 	C41H65N19O11	999.5111	NA	PeJP	NA	NA
+PJ125814	GGDHFRRR 	C41H65N19O11	999.5112	NA	PeJP	NA	NA
+PJ125815	PPKMRWW 	C49H69N13O8S	999.5113	NA	PeJP	NA	NA
+PJ125816	STTTTTLLY 	C44H73N9O17	999.5125	NA	PeJP	NA	NA
+PJ125817	TTLLKMMY 	C45H77N9O12S2	999.5133	NA	PeJP	NA	NA
+PJ125818	GPPLLLEMM 	C45H77N9O12S2	999.5134	NA	PeJP	NA	NA
+PJ125819	GPVKEERW 	C45H69N13O13	999.5138	NA	PeJP	NA	NA
+PJ125820	GGGGGGGGLLLW 	C45H69N13O13	999.5139	NA	PeJP	NA	NA
+PJ125821	GSTMHRRR 	C38H69N19O11S	999.5145	NA	PeJP	NA	NA
+PJ125822	LMMFFRR 	C46H73N13O8S2	999.5147	NA	PeJP	NA	NA
+PJ125823	AQHFRRW 	C46H65N17O9	999.5152	NA	PeJP	NA	NA
+PJ125824	SSTKKMRY 	C42H73N13O13S	999.5172	NA	PeJP	NA	NA
+PJ125825	AAPLKEWW 	C50H69N11O11	999.5178	NA	PeJP	NA	NA
+PJ125826	GPVVKEWW 	C50H69N11O11	999.5179	NA	PeJP	NA	NA
+PJ125827	SKMHRRW 	C43H69N17O9S	999.5185	NA	PeJP	NA	NA
+PJ125828	GPTEERRR 	C39H69N17O14	999.521	NA	PeJP	NA	NA
+PJ125829	GGGGSPKERR 	C39H69N17O14	999.5211	NA	PeJP	NA	NA
+PJ125830	STLLLMHW 	C47H73N11O11S	999.5212	NA	PeJP	NA	NA
+PJ125831	PLKFFYW 	C55H69N9O9	999.5219	NA	PeJP	NA	NA
+PJ125832	SSSSTLKKY 	C43H73N11O16	999.5237	NA	PeJP	NA	NA
+PJ125833	ATKKKMMY 	C44H77N11O11S2	999.5246	NA	PeJP	NA	NA
+PJ125834	ATTTKHRW 	C44H69N15O12	999.525	NA	PeJP	NA	NA
+PJ125835	PKEERRW 	C44H69N15O12	999.5251	NA	PeJP	NA	NA
+PJ125836	LLKMFYW 	C52H73N9O9S	999.5252	NA	PeJP	NA	NA
+PJ125837	PTLLLEEW 	C48H73N9O14	999.5277	NA	PeJP	NA	NA
+PJ125838	APPVVLEEF 	C48H73N9O14	999.5278	NA	PeJP	NA	NA
+2608	synthetic peptide inhibitors of (PEP)	IYPFPGPIP	999.528	NA	Inhouse_peptide	NA	peptide
+PJ125839	SPPKEMRR 	C41H73N15O12S	999.5284	NA	PeJP	NA	NA
+PJ125840	GGGGGAPLKMR 	C41H73N15O12S	999.5285	NA	PeJP	NA	NA
+PJ125841	PPLLLMMW 	C49H77N9O9S2	999.5286	NA	PeJP	NA	NA
+PJ125842	PVKERWW 	C49H69N13O10	999.5291	NA	PeJP	NA	NA
+PJ125843	GPVLLLEEM 	C45H77N9O14S	999.5311	NA	PeJP	NA	NA
+PJ125844	SSTTHRRR 	C38H69N19O13	999.5323	NA	PeJP	NA	NA
+PJ125845	APVLQMRW 	C46H73N13O10S	999.5324	NA	PeJP	NA	NA
+PJ125846	SPPVKMRW 	C46H73N13O10S	999.5325	NA	PeJP	NA	NA
+PJ125847	PVVKWWW 	C54H69N11O8	999.5331	NA	PeJP	NA	NA
+PJ125848	SSSPPLKER 	C42H73N13O15	999.5349	NA	PeJP	NA	NA
+PJ125849	PVDKKEER 	C42H73N13O15	999.535	NA	PeJP	NA	NA
+PJ125850	SLLLMMHR 	C43H77N13O10S2	999.5358	NA	PeJP	NA	NA
+PJ125851	PTERRRW 	C43H69N17O11	999.5363	NA	PeJP	NA	NA
+PJ125852	APLKKEEW 	C47H73N11O13	999.539	NA	PeJP	NA	NA
+PJ125853	GPVEMRRR 	C40H73N17O11S	999.5397	NA	PeJP	NA	NA
+MJ099270	Spirosol-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C50H81NO19	999.540279	NA	MeJP	NA	NA
+MJ099271	Spirosol-5-en-3-ol, 3-O-[?-L-Arabinopyranosyl-(1?3)-[?-L-rhamnopyranosyl-(1?2)]-[?-L-rhamnopyranosyl-(1?4)]-?-D-glucopyranoside] 	C50H81NO19	999.540279	NA	MeJP	NA	NA
+MJ099272	Spirosol-5-en-3-ol, 3-O-[?-D-Xylopyranosyl-(1?2)-?-L-rhamnopyranosyl-(1?4)-[?-L-rhamnopyranosyl-(1?2)]-?-D-glucopyranoside] 	C50H81NO19	999.540279	NA	MeJP	NA	NA
+PJ125854	SPLRRWW 	C48H69N15O9	999.5403	NA	PeJP	NA	NA
+PJ125855	TTTKKKMY 	C44H77N11O13S	999.5423	NA	PeJP	NA	NA
+PJ125856	PLLLEEMR 	C44H77N11O13S	999.5424	NA	PeJP	NA	NA
+PJ125857	PPVLLEFW 	C52H73N9O11	999.543	NA	PeJP	NA	NA
+PJ125858	NNERRRR 	C37H69N21O12	999.5435	NA	PeJP	NA	NA
+PJ125859	AAPLMRRW 	C45H73N15O9S	999.5437	NA	PeJP	NA	NA
+PJ125860	SPVKEERR 	C41H73N15O14	999.5462	NA	PeJP	NA	NA
+PJ125861	PVLLLEMW 	C49H77N9O11S	999.5464	NA	PeJP	NA	NA
+PJ125862	PPCLKMRR 	C42H77N15O9S2	999.5471	NA	PeJP	NA	NA
+PJ125863	AQQRRRW 	C42H69N19O10	999.5475	NA	PeJP	NA	NA
+PJ125864	AALLLLEEE 	C45H77N9O16	999.5489	NA	PeJP	NA	NA
+PJ125865	SPPVLLLMM 	C46H81N9O11S2	999.5497	NA	PeJP	NA	NA
+PJ125866	APTLKERW 	C46H73N13O12	999.5502	NA	PeJP	NA	NA
+PJ125867	PEMRRRR 	C39H73N19O10S	999.5509	NA	PeJP	NA	NA
+PJ125868	AKHFRRW 	C47H69N17O8	999.5515	NA	PeJP	NA	NA
+PJ125869	PVLQKEMR 	C43H77N13O12S	999.5536	NA	PeJP	NA	NA
+PJ125870	GPTLLKWW 	C51H73N11O10	999.5542	NA	PeJP	NA	NA
+PJ125871	PVMRRRW 	C44H73N17O8S	999.5549	NA	PeJP	NA	NA
+PJ125872	AALEERRR 	C40H73N17O13	999.5574	NA	PeJP	NA	NA
+PJ125873	GGGGGGGGLKKR 	C40H73N17O13	999.5575	NA	PeJP	NA	NA
+PJ125874	PPTLKKMW 	C48H77N11O10S	999.5576	NA	PeJP	NA	NA
+PJ125875	LLKFFFW 	C56H73N9O8	999.5583	NA	PeJP	NA	NA
+PJ125876	GNRRRRW 	C41H69N21O9	999.5588	NA	PeJP	NA	NA
+PJ125877	VLLLEEER 	C44H77N11O15	999.5601	NA	PeJP	NA	NA
+PJ125878	GPPVLKKMM 	C45H81N11O10S2	999.561	NA	PeJP	NA	NA
+PJ125879	LLQERRW 	C45H73N15O11	999.5614	NA	PeJP	NA	NA
+PJ125880	GALLERRW 	C45H73N15O11	999.5615	NA	PeJP	NA	NA
+PJ125881	VVLLLEEW 	C49H77N9O13	999.5641	NA	PeJP	NA	NA
+PJ125882	APLKEMRR 	C42H77N15O11S	999.5648	NA	PeJP	NA	NA
+PJ125883	VLLQRWW 	C50H73N13O9	999.5655	NA	PeJP	NA	NA
+PJ125884	APTLLLLEM 	C46H81N9O13S	999.5675	NA	PeJP	NA	NA
+PJ125885	VEERRRR 	C39H73N19O12	999.5687	NA	PeJP	NA	NA
+PJ125886	GPLLKMRW 	C47H77N13O9S	999.5688	NA	PeJP	NA	NA
+PJ125887	PTLKKEER 	C43H77N13O14	999.5713	NA	PeJP	NA	NA
+PJ125888	GGVLLKEER 	C43H77N13O14	999.5714	NA	PeJP	NA	NA
+PJ125889	PPLKKMMR 	C44H81N13O9S2	999.5722	NA	PeJP	NA	NA
+PJ125890	VVERRRW 	C44H73N17O10	999.5727	NA	PeJP	NA	NA
+PJ125891	SPLLKKEW 	C48H77N11O12	999.5754	NA	PeJP	NA	NA
+PJ125892	APTLMRRR 	C41H77N17O10S	999.5761	NA	PeJP	NA	NA
+MJ099273	3,24-Dihydroxy-24,25-dimethyllanost-8-en-30-oic acid, 3-O-[2-Acetylamino-2-deoxy-?-D-glucopyranosyl-(1?2)-?-D-galactopyranoside]-30-O-?-L-xylopyranosyl ester 	C51H85NO18	999.576664	NA	MeJP	NA	NA
+PJ125893	ALLRRWW 	C49H73N15O8	999.5767	NA	PeJP	NA	NA
+PJ125894	AAPLLKKEM 	C45H81N11O12S	999.5787	NA	PeJP	NA	NA
+PJ125895	GGGGGLLLLLM 	C45H81N11O12S	999.5788	NA	PeJP	NA	NA
+PJ125896	PPVLLLYW 	C53H77N9O10	999.5794	NA	PeJP	NA	NA
+PJ125897	NDKRRRR 	C38H73N21O11	999.5799	NA	PeJP	NA	NA
+PJ125898	GLLKEERR 	C42H77N15O13	999.5826	NA	PeJP	NA	NA
+PJ125899	GPPLLLLMF 	C50H81N9O10S	999.5828	NA	PeJP	NA	NA
+PJ125900	AQKRRRW 	C43H73N19O9	999.5839	NA	PeJP	NA	NA
+2906	neuropeptide from eyestalk of Macrobrachium rosenb	APALRLRFG	999.585	antibacterial	Inhouse_peptide	NA	peptide
+PJ125901	PTTTLLLLE 	C46H81N9O15	999.5852	NA	PeJP	NA	NA
+PJ125902	GTLLLLLEE 	C46H81N9O15	999.5853	NA	PeJP	NA	NA
+PJ125903	GPLLLLLMM 	C47H85N9O10S2	999.5861	NA	PeJP	NA	NA
+PJ125904	GVLLKERW 	C47H77N13O11	999.5866	NA	PeJP	NA	NA
+PJ125905	GPCKKRRR 	C40H77N19O9S	999.5873	NA	PeJP	NA	NA
+PJ125906	PVLKKEMR 	C44H81N13O11S	999.59	NA	PeJP	NA	NA
+PJ125907	AALLLKWW 	C52H77N11O9	999.5906	NA	PeJP	NA	NA
+PJ125908	SNRRRRR 	C37H73N23O10	999.5911	NA	PeJP	NA	NA
+PJ125909	GTLLERRR 	C41H77N17O12	999.5938	NA	PeJP	NA	NA
+PJ125910	PVVLKKMW 	C49H81N11O9S	999.594	NA	PeJP	NA	NA
+PJ125911	LLLQKKEE 	C45H81N11O14	999.5965	NA	PeJP	NA	NA
+PJ125912	LLKERRW 	C46H77N15O10	999.5978	NA	PeJP	NA	NA
+PJ125913	TLLLLLEW 	C50H81N9O12	999.6005	NA	PeJP	NA	NA
+PJ125914	SPLLKMRR 	C43H81N15O10S	999.6012	NA	PeJP	NA	NA
+PJ125915	PKKKKWW 	C51H77N13O8	999.6018	NA	PeJP	NA	NA
+PJ125916	VLLKRWW 	C51H77N13O8	999.6019	NA	PeJP	NA	NA
+PJ125917	GVLLLLLEM 	C47H85N9O12S	999.6039	NA	PeJP	NA	NA
+PJ125918	QKKERRR 	C40H77N19O11	999.605	NA	PeJP	NA	NA
+PJ125919	GAKKERRR 	C40H77N19O11	999.6051	NA	PeJP	NA	NA
+PJ125920	VVLKKEER 	C44H81N13O13	999.6077	NA	PeJP	NA	NA
+PJ125921	TLLRRRW 	C45H77N17O9	999.6091	NA	PeJP	NA	NA
+PJ125922	VVVLKKEW 	C49H81N11O11	999.6117	NA	PeJP	NA	NA
+PJ125923	ALLLKKEW 	C49H81N11O11	999.6118	NA	PeJP	NA	NA
+PJ125924	GVLLMRRR 	C42H81N17O9S	999.6124	NA	PeJP	NA	NA
+PJ125925	LLLLLEMR 	C46H85N11O11S	999.6151	NA	PeJP	NA	NA
+PJ125926	PVLLLLFW 	C54H81N9O9	999.6158	NA	PeJP	NA	NA
+PJ125927	TQKRRRR 	C39H77N21O10	999.6163	NA	PeJP	NA	NA
+PJ125928	SVLLKERR 	C43H81N15O12	999.619	NA	PeJP	NA	NA
+PJ125929	VLLLLLMW 	C51H85N9O9S	999.6191	NA	PeJP	NA	NA
+PJ125930	AKKRRRW 	C44H77N19O8	999.6203	NA	PeJP	NA	NA
+PJ125931	SSLLLLLLE 	C47H85N9O14	999.6216	NA	PeJP	NA	NA
+PJ125932	ATLLLKRW 	C48H81N13O10	999.623	NA	PeJP	NA	NA
+PJ125933	LLMRRRR 	C41H81N19O8S	999.6237	NA	PeJP	NA	NA
+PJ125934	VLLLQKMR 	C45H85N13O10S	999.6264	NA	PeJP	NA	NA
+PJ125935	SSLLLRRR 	C42H81N17O11	999.6302	NA	PeJP	NA	NA
+PJ125936	LLLKKKEE 	C46H85N11O13	999.6329	NA	PeJP	NA	NA
+PJ125937	AALKKKRW 	C47H81N15O9	999.6342	NA	PeJP	NA	NA
+PJ125938	GPVLLLLLY 	C51H85N9O11	999.6369	NA	PeJP	NA	NA
+PJ125939	ALLLKMRR 	C44H85N15O9S	999.6376	NA	PeJP	NA	NA
+PJ125940	ATLLLLLLM 	C48H89N9O11S	999.6403	NA	PeJP	NA	NA
+PJ125941	KKKERRR 	C41H81N19O10	999.6414	NA	PeJP	NA	NA
+PJ125942	TLLLKKER 	C45H85N13O12	999.6441	NA	PeJP	NA	NA
+PJ125943	VKKKRRW 	C46H81N17O8	999.6455	NA	PeJP	NA	NA
+PJ125944	SLLLLKKW 	C50H85N11O10	999.6481	NA	PeJP	NA	NA
+PJ125945	AALLLLKKM 	C47H89N11O10S	999.6515	NA	PeJP	NA	NA
+PJ125946	TKKRRRR 	C40H81N21O9	999.6527	NA	PeJP	NA	NA
+PJ125947	TTLLLKRR 	C44H85N15O11	999.6553	NA	PeJP	NA	NA
+PJ125948	VVDKKKKR 	C44H85N15O11	999.6554	NA	PeJP	NA	NA
+PJ125949	TTTLLLLLL 	C48H89N9O13	999.658	NA	PeJP	NA	NA
+PJ125950	GLLKKKKW 	C49H85N13O9	999.6594	NA	PeJP	NA	NA
+PJ125951	VLLLKKMR 	C46H89N13O9S	999.6627	NA	PeJP	NA	NA
+PJ125952	ATLKKKRR 	C43H85N17O10	999.6666	NA	PeJP	NA	NA
+PJ125953	ATTLLLLKK 	C47H89N11O12	999.6693	NA	PeJP	NA	NA
+PJ125954	GVLLLLLLF 	C52H89N9O10	999.6733	NA	PeJP	NA	NA
+PJ125955	VLKKKKKE 	C46H89N13O11	999.6805	NA	PeJP	NA	NA
+PJ125956	LLLLLLFR 	C51H89N11O9	999.6845	NA	PeJP	NA	NA
+PJ125957	SLLKKKKR 	C45H89N15O10	999.6917	NA	PeJP	NA	NA
+PJ125958	GKKKKKKR 	C44H89N17O9	999.703	NA	PeJP	NA	NA
+HMDB04838	Galabiosylceramide (d18:1/26:1(17Z))	C56H105NO13	999.758606	NA	HMDB2010	NA	NA
+HMDB04873	Lactosylceramide (d18:1/26:1(17Z))	C56H105NO13	999.758606	NA	HMDB2010	NA	NA
+HMDB04838	Galabiosylceramide (d18:1/26:1(17Z))	C56H105NO13	999.75861	http://www.hmdb.ca/metabolites/HMDB04838	HMDB	NA	NA
+HMDB04873	Lactosylceramide (d18:1/26:1(17Z))	C56H105NO13	999.75861	http://www.hmdb.ca/metabolites/HMDB04873	HMDB	NA	NA
+HMDB04838	Galabiosylceramide (d18:1/26:1(17Z))	C56H105NO13	999.75861	HMDB04838	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04873	Lactosylceramide (d18:1/26:1(17Z))	C56H105NO13	999.75861	HMDB04873	PFEM_hmdb_metabocards_official	NA	NA
+3906	NA	RNCESLSHRFKGPCTRDSNC	999.98885	MH2+	Inhouse_peptide	NA	peptide
+3125	fibronectin inhibitor	RGDSPASSKP	1000.4799	celiac toxic	Inhouse_peptide	NA	peptide
+7486	ACE inhibitor (fr,60-68 of bovine beta-casein)	YPFPGPIPN	1000.4869	antioxidative	Inhouse_peptide	NA	peptide
+2805	PEP inhibitor	RPPPAQAPAP	1000.53	NA	Inhouse_peptide	NA	peptide
+2859	NA	YGGFLRRKSARKLANHQ	1000.54845	MH2+	Inhouse_peptide	NA	peptide
+2975	ACE inhibitor	ALKAWSVAR	1000.569	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB10551	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	C67H100O6	1000.752014	NA	HMDB2010	NA	NA
+HMDB10552	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C67H100O6	1000.752014	NA	HMDB2010	NA	NA
+3799	NA	GILSKLGKALKKAAKHAAKA~	1001.135	MH2+	Inhouse_peptide	NA	peptide
+C16338	3-Oxo-OPC4-CoA	C35H54N7O19P3S	1001.2408	NA	KEGG	NA	NA
+7874	peptide from rice endosperm protein hydrolysate	KHNRGDEF	1001.4538	antioxidative	Inhouse_peptide	NA	peptide
+HMDB06973	CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z))	C48H81N3O15P2	1001.514282	NA	HMDB2010	NA	NA
+HMDB06974	CDP-DG(16:0/20:4(8Z,11Z,14Z,17Z))	C48H81N3O15P2	1001.514282	NA	HMDB2010	NA	NA
+HMDB04839	Galabiosylceramide (d18:1/26:0)	C56H107NO13	1001.77423	http://www.hmdb.ca/metabolites/HMDB04839	HMDB	NA	NA
+HMDB04874	Lactosylceramide (d18:1/26:0)	C56H107NO13	1001.77423	http://www.hmdb.ca/metabolites/HMDB04874	HMDB	NA	NA
+HMDB04839	Galabiosylceramide (d18:1/26:0)	C56H107NO13	1001.77423	HMDB04839	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04874	Lactosylceramide (d18:1/26:0)	C56H107NO13	1001.77423	HMDB04874	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04839	Galabiosylceramide (d18:1/26:0)	C56H107NO13	1001.774231	NA	HMDB2010	NA	NA
+HMDB04874	Lactosylceramide (d18:1/26:0)	C56H107NO13	1001.774231	NA	HMDB2010	NA	NA
+7351	celiac sprue gluten epitope found in omega-gliadin	PQPQQPIPV	1002.534	antioxidative	Inhouse_peptide	NA	peptide
+HMDB10550	TG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	C67H102O6	1002.767639	NA	HMDB2010	NA	NA
+C16337	3-Hydroxy-OPC4-CoA	C35H56N7O19P3S	1003.2565	NA	KEGG	NA	NA
+C05272	trans-Hexadec-2-enoyl-CoA	C37H64N7O17P3S	1003.3292	NA	KEGG	NA	NA
+HMDB04149	Palmitelaidoyl-CoA	C37H64N7O17P3S	1003.32922	http://www.hmdb.ca/metabolites/HMDB04149	HMDB	NA	NA
+HMDB06532	Palmitoleyl coenzyme A	C37H64N7O17P3S	1003.32922	http://www.hmdb.ca/metabolites/HMDB06532	HMDB	NA	NA
+HMDB04149	Palmitelaidoyl-CoA	C37H64N7O17P3S	1003.32922	HMDB04149	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06532	Palmitoleyl coenzyme A	C37H64N7O17P3S	1003.32922	HMDB06532	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04149	Palmitelaidoyl-CoA	C37H64N7O17P3S	1003.329224	NA	HMDB2010	NA	NA
+HMDB06532	Palmitoleyl CoA	C37H64N7O17P3S	1003.329224	NA	HMDB2010	NA	NA
+7721	NA	GIEALKYHNMDLGTARGY~	1003.4916	MH2+	Inhouse_peptide	NA	peptide
+HMDB06990	CDP-DG(18:1(11Z)/18:2(9Z,12Z))	C48H83N3O15P2	1003.529968	NA	HMDB2010	NA	NA
+HMDB06998	CDP-DG(18:1(9Z)/18:2(9Z,12Z))	C48H83N3O15P2	1003.529968	NA	HMDB2010	NA	NA
+C05845	N-Acetyl-D-galactosaminyldiphosphoundecaprenol	C54H87NO12P2	1003.5704	NA	KEGG	NA	NA
+C05846	(Phosphoglyceryl)3-N-acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-	C54H87NO12P2	1003.5704	NA	KEGG	NA	NA
+C05847	all-trans-Polyprenyl diphosphate	C5H12O7P2	1003.5704	NA	KEGG	NA	NA
+C05848	4-Hydroxy-3-polyprenylbenzoate	C12H14O3	1003.5704	NA	KEGG	NA	NA
+7456	coeliac toxic peptide	PLLPQQPFPSQQEQPQF	1003.993	MH2+	Inhouse_peptide	NA	peptide
+3580	NA	VQGEESNDK	1004.4268	ACE inhibitor	Inhouse_peptide	NA	peptide
+7400	celiac sprue gluten epitope found in secalin	PQPQQPTPI	1004.513	antioxidative	Inhouse_peptide	NA	peptide
+2974	LVV-hemorphin-5	LVVYPWTQ	1004.519	celiac toxic	Inhouse_peptide	NA	peptide
+3765	heparin-binding peptide	FKCRRWQWRMKKLGA	1005.0257	MH2+	Inhouse_peptide	NA	peptide
+3032	calmodulin-binding peptide 	LKKISQRYQKFALPQY	1005.062	MH2+	Inhouse_peptide	NA	peptide
+3962	NA	LKKISQRYQKFALPQY	1005.062	MH2+	Inhouse_peptide	NA	peptide
+8161	f(164-179) of bovine alpha s2-casein	LKKISQRYQKFALPQY	1005.062	MH2+	Inhouse_peptide	NA	peptide
+C14117	Naphthyl-2-methylene-succinyl-CoA	C36H46N7O19P3S	1005.1782	NA	KEGG	NA	NA
+FL7AAGGL0051	Delphinidin 3-(6-p-coumaroylglucoside)-5-[6-(malonyl)-4-(rhamnosyl)glucoside)]	C45H49O26	1005.2512	444587-00-2	knapsack	NA	NA
+HMDB01338	Palmityl-CoA	C37H66N7O17P3S	1005.344849	NA	HMDB2010	NA	NA
+HMDB01338	Palmityl-CoA	C37H66N7O17P3S	1005.34485	http://www.hmdb.ca/metabolites/HMDB01338	HMDB	NA	NA
+HMDB01338	Palmityl-CoA	C37H66N7O17P3S	1005.34485	HMDB01338	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04363	4,8,12-trimethyltridecanoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(4,8,12- trimethyltridecanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl] propoxy]-phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran- 3-yl]oxyphosphonic acid;]	C37H66N7O17P3S1	1005.344874	NA	metacyc	NA	NA
+MetaCyc04364	palmitoyl CoA [Palmitoyl-CoA (n-C16:0CoA);hexadecanoyl CoA;palmityl-CoA;palmitoyl coenzyme A;palmitoyl-CoA;]	C37H66N7O17P3S1	1005.344874	1763-10-6	metacyc	NA	NA
+C00154	Palmitoyl-CoA	C37H66N7O17P3S	1005.3449	NA	KEGG	NA	NA
+C07296	4,8,12-Trimethyltridecanoyl-CoA	C37H66N7O17P3S	1005.3449	NA	KEGG	NA	NA
+3335	human beta-casein fr,53-61	AQTQSLVYP	1005.499	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB06981	CDP-DG(18:0/18:2(9Z,12Z))	C48H85N3O15P2	1005.545593	NA	HMDB2010	NA	NA
+HMDB06988	CDP-DG(18:1(11Z)/18:1(11Z))	C48H85N3O15P2	1005.545593	NA	HMDB2010	NA	NA
+HMDB06989	CDP-DG(18:1(11Z)/18:1(9Z))	C48H85N3O15P2	1005.545593	NA	HMDB2010	NA	NA
+HMDB06997	CDP-DG(18:1(9Z)/18:1(11Z))	C48H85N3O15P2	1005.545593	NA	HMDB2010	NA	NA
+2790	precursor of thyrotropin hormone (1-8 )	KRQHPGKR	1005.579	antibacterial	Inhouse_peptide	NA	peptide
+MetaCyc04365	undecaprenyl phosphate-L-Ara4-Formyl-N []	C61H100N1O8P1	1005.718656	NA	metacyc	NA	NA
+C16156	Undecaprenyl phosphate alpha-L-Ara4FN	C61H100NO8P	1005.7187	NA	KEGG	NA	NA
+HMDB02865	Oxytocin	C43H66N12O12S2	1006.43646	http://www.hmdb.ca/metabolites/HMDB02865	HMDB	NA	NA
+HMDB02865	Oxytocin	C43H66N12O12S2	1006.43646	HMDB02865	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02865	Oxytocin	C43H66N12O12S2	1006.436462	NA	HMDB2010	NA	NA
+C00746	Oxytocin	C43H66N12O12S2	1006.4365	NA	KEGG	NA	NA
+C14116	Naphthyl-2-methyl-succinyl-CoA	C36H48N7O19P3S	1007.1939	NA	KEGG	NA	NA
+MetaCyc04366	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine []	C34H55N7O24P2	1007.277369	NA	metacyc	NA	NA
+C04700	UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine	C34H55N7O24P2	1007.2774	NA	KEGG	NA	NA
+C05892	UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine	C34H55N7O24P2	1007.2774	NA	KEGG	NA	NA
+HMDB06979	CDP-DG(18:0/18:1(11Z))	C48H87N3O15P2	1007.561218	NA	HMDB2010	NA	NA
+HMDB06980	CDP-DG(18:0/18:1(9Z))	C48H87N3O15P2	1007.561218	NA	HMDB2010	NA	NA
+HMDB06987	CDP-DG(18:1(11Z)/18:0)	C48H87N3O15P2	1007.561218	NA	HMDB2010	NA	NA
+HMDB06996	CDP-DG(18:1(9Z)/18:0)	C48H87N3O15P2	1007.561218	NA	HMDB2010	NA	NA
+2793	polyphemusin II from homocytes of horse shoe crab	RRWCFRVCYKGFCYRKCR~	1008.06945	MH2+	Inhouse_peptide	NA	peptide
+2900	neuropeptide from eyestalk of Macrobrachium rosenb	ADKNFLRF~	1008.5378	antibacterial	Inhouse_peptide	NA	peptide
+C05370	Calyculin A	C50H81N4O15P	1008.5436	NA	KEGG	NA	NA
+HMDB04888	Ganglioside GA2 (d18:1/12:0)	C50H92N2O18	1008.63452	http://www.hmdb.ca/metabolites/HMDB04888	HMDB	NA	NA
+HMDB04888	Ganglioside GA2 (d18:1/12:0)	C50H92N2O18	1008.63452	HMDB04888	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04888	Ganglioside GA2 (d18:1/12:0)	C50H92N2O18	1008.634521	NA	HMDB2010	NA	NA
+C04403	beta-D-Glucosyl-1-phosphoundecaprenol	C61H101O9P	1008.7183	NA	KEGG	NA	NA
+C15542	D-Mannosyl-1-phosphoundecaprenol	C61H101O9P	1008.7183	NA	KEGG	NA	NA
+C15543	6-(alpha-D-Mannosyl)-beta-D-mannosyl-R	C12H21O11R	1008.7183	NA	KEGG	NA	NA
+C15544	4-(N-Acetyl-beta-D-glucosaminyl)-beta-D-mannosyl-R	C14H24NO11R	1008.7183	NA	KEGG	NA	NA
+MetaCyc04367	D-mannosyl-1-phosphoundecaprenol []	C61H101O9P1	1008.718321	NA	metacyc	NA	NA
+C12006	Liposidomycin B	C42H67N5O21S	1009.4049	NA	KEGG	NA	NA
+2918	neuropeptide from eyestalk of Macrobrachium rosenb	KNEFIRFG	1009.5209	antibacterial	Inhouse_peptide	NA	peptide
+2940	NA	FGGFTGRIRPKLKWDNQ	1009.53135	MH2+	Inhouse_peptide	NA	peptide
+HMDB06978	CDP-DG(18:0/18:0)	C48H89N3O15P2	1009.576904	NA	HMDB2010	NA	NA
+8099	peptide derived from extruded corn gluten	FPLEMMPF	1010.4468	binding	Inhouse_peptide	NA	peptide
+2825	PEP inhibitor	LPPPPLPPLA	1010.601	NA	Inhouse_peptide	NA	peptide
+C13918	N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine	C66H125NO5	1011.9558	NA	KEGG	NA	NA
+C13919	Transferred to D02163	C66H125NO5	1011.9558	NA	KEGG	NA	NA
+C13920	Ml4Cer	C45H79N2O23R	1011.9558	NA	KEGG	NA	NA
+C13921	II2Xylbeta-Ml4Cer	C50H87N2O27R	1011.9558	NA	KEGG	NA	NA
+C13922	Ar4Cer	C47H82N3O23R	1011.9558	NA	KEGG	NA	NA
+C13923	Ar5Cer	C55H95N4O28R	1011.9558	NA	KEGG	NA	NA
+C13924	Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer	C37H66NO18R	1011.9558	NA	KEGG	NA	NA
+C13925	iGb4Cer	C45H79N2O23R	1011.9558	NA	KEGG	NA	NA
+C13926	iGb5Cer	C53H92N3O28R	1011.9558	NA	KEGG	NA	NA
+HMDB01541	Guanosine hexaphosphate adenosine	C20H30N10O26P6	1011.97583	http://www.hmdb.ca/metabolites/HMDB01541	HMDB	NA	NA
+HMDB01541	Guanosine hexaphosphate adenosine	C20H30N10O26P6	1011.97583	HMDB01541	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01541	Guanosine hexaphosphate adenosine	C20H30N10O26P6	1011.97583	NA	HMDB2010	NA	NA
+HMDB09964	PIP(18:1(11Z)/18:3(6Z,9Z,12Z))	C48H86O18P2	1012.528931	NA	HMDB2010	NA	NA
+HMDB09982	PIP(18:1(9Z)/18:3(6Z,9Z,12Z))	C48H86O18P2	1012.528931	NA	HMDB2010	NA	NA
+HMDB09994	PIP(18:3(6Z,9Z,12Z)/18:1(11Z))	C48H86O18P2	1012.528931	NA	HMDB2010	NA	NA
+HMDB09995	PIP(18:3(6Z,9Z,12Z)/18:1(9Z))	C48H86O18P2	1012.528931	NA	HMDB2010	NA	NA
+2957	maiganin related peptide PGLA	GMASKAGAIAGKIAKVALKALG	1012.5977	MH2+	Inhouse_peptide	NA	peptide
+HMDB11121	trans-2-Enoyl-OPC6-CoA	C37H58N7O18P3S	1013.277161	NA	HMDB2010	NA	NA
+C16332	trans-2-Enoyl-OPC6-CoA	C37H58N7O18P3S	1013.2772	NA	KEGG	NA	NA
+3578	NA	IQSQPQAFP	1014.499	ACE inhibitor	Inhouse_peptide	NA	peptide
+2886	NA	EIEQKQLQ	1014.52	celiac toxic	Inhouse_peptide	NA	peptide
+2851	NA	YGGFLRRIRPKLKLANQ	1014.59495	MH2+	Inhouse_peptide	NA	peptide
+5516	styelin B	GXFGPAFHSVSNFAKKHKTA	1015.0144	MH2+	Inhouse_peptide	NA	peptide
+C16331	OPC6-CoA	C37H60N7O18P3S	1015.2928	NA	KEGG	NA	NA
+HMDB11114	OPC6-CoA	C37H60N7O18P3S	1015.292847	NA	HMDB2010	NA	NA
+8327	Antiinflammatory peptide	KGHYAERVG	1015.505	Bile-acid glycine conjugates  ;SYN:3a,7b-Dihydroxy-5b-cholanoylglycine; Glycoursodeoxycholate; Glycoursodeoxycholic acid; Glycylursodeoxycholate; Glycylursodeoxycholic acid; N-(3a,7b-Dihydroxy-5b-cholan-24-oyl)glycine; N-[(3a,5b,7b)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine; UrsodeoxycholylglycineH2Blood	Inhouse_peptide	NA	peptide
+7736	Led-NPF-I	APSLRLRFG	1015.58	antioxidative	Inhouse_peptide	NA	peptide
+2969	maculatin 1,1,1 from Litoria genimaculata	FVGLAKVAAHVVPAIAEHFG	1016.05355	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04368	dermatan-L-iduronate [dermatan;dermatan sulfate;chondroitin sulfate B;&beta;-heparin;]	C28H44N2O32S3	1016.103929	24967-94-0	metacyc	NA	NA
+2826	PEP inhibitor	APTMPPPLPP	1016.5204	NA	Inhouse_peptide	NA	peptide
+7573	ACE inhibitor from chicken troponin C	RMLGNTPTK	1016.5293	antioxidative	Inhouse_peptide	NA	peptide
+2936	myelopeptide	FRPRIMTP	1016.5454	celiac toxic	Inhouse_peptide	NA	peptide
+MetaCyc04369	UDP-2,3-bis(3-hydroxymyristoyl)glucosamine [UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine;UDP-2,3-diacyl-glucosamine;]	C43H77N3O20P2	1017.457565	NA	metacyc	NA	NA
+C04652	UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine	C43H77N3O20P2	1017.4576	NA	KEGG	NA	NA
+C10803	Demissine	C50H83NO20	1017.5508	NA	KEGG	NA	NA
+C07306	Octreotide	C49H66N10O10S2	1018.4405	NA	KEGG	NA	NA
+HMDB10043	PIP2(16:0/20:4(5Z,8Z,11Z,14Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10044	PIP2(16:0/20:4(8Z,11Z,14Z,17Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10078	PIP2(18:1(11Z)/18:3(6Z,9Z,12Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10079	PIP2(18:1(11Z)/18:3(9Z,12Z,15Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10091	PIP2(18:1(9Z)/18:3(6Z,9Z,12Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10092	PIP2(18:1(9Z)/18:3(9Z,12Z,15Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10102	PIP2(18:2(9Z,12Z)/18:2(9Z,12Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10109	PIP2(18:3(6Z,9Z,12Z)/18:1(11Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10110	PIP2(18:3(6Z,9Z,12Z)/18:1(9Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10112	PIP2(18:3(9Z,12Z,15Z)/18:1(11Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10113	PIP2(18:3(9Z,12Z,15Z)/18:1(9Z))	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10132	PIP2(20:4(5Z,8Z,11Z,14Z)/16:0)	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+HMDB10136	PIP2(20:4(8Z,11Z,14Z,17Z)/16:0)	C45H81O19P3	1018.458496	NA	HMDB2010	NA	NA
+7066	coeliac toxic peptide	QPFPQPQLPYPQPQLPY	1018.508	MH2+	Inhouse_peptide	NA	peptide
+3344	ACE inhibitor	IVGRPRHQG	1018.564	celiac toxic	Inhouse_peptide	NA	peptide
+36	Actin	IVGRPRHQG	1018.568	celiac toxic	Inhouse_peptide	NA	peptide
+C05259	3-Oxopalmitoyl-CoA	C37H64N7O18P3S	1019.3241	NA	KEGG	NA	NA
+MetaCyc04370	3-oxopalmitoyl-CoA [3-ketopalmitoyl-CoA;3-oxohexadecanoyl-CoA;]	C37H64N7O18P3S1	1019.324139	NA	metacyc	NA	NA
+HMDB06402	3-Oxohexadecanoyl-CoA	C37H64N7O18P3S	1019.324158	NA	HMDB2010	NA	NA
+HMDB06402	3-Oxohexadecanoyl-CoA	C37H64N7O18P3S	1019.32416	http://www.hmdb.ca/metabolites/HMDB06402	HMDB	NA	NA
+HMDB06402	3-Oxohexadecanoyl-CoA	C37H64N7O18P3S	1019.32416	HMDB06402	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06497	S-Heptadecanoyl CoA	C38H68N7O17P3S	1019.36053	http://www.hmdb.ca/metabolites/HMDB06497	HMDB	NA	NA
+HMDB06497	S-Heptadecanoyl CoA	C38H68N7O17P3S	1019.36053	HMDB06497	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06497	Heptadecanoyl CoA	C38H68N7O17P3S	1019.360535	NA	HMDB2010	NA	NA
+MetaCyc04371	curcumin 4',4''-O-&beta;-D-digentiobioside []	C45H63O26	1019.360757	NA	metacyc	NA	NA
+7459	coeliac toxic peptide	WFQPSQLNPQAQQDQPQ	1019.4659	MH2+	Inhouse_peptide	NA	peptide
+HMDB10041	PIP2(16:0/20:3(5Z,8Z,11Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10042	PIP2(16:0/20:3(8Z,11Z,14Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10065	PIP2(18:0/18:3(6Z,9Z,12Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10066	PIP2(18:0/18:3(9Z,12Z,15Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10077	PIP2(18:1(11Z)/18:2(9Z,12Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10090	PIP2(18:1(9Z)/18:2(9Z,12Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10100	PIP2(18:2(9Z,12Z)/18:1(11Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10101	PIP2(18:2(9Z,12Z)/18:1(9Z))	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10108	PIP2(18:3(6Z,9Z,12Z)/18:0)	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10111	PIP2(18:3(9Z,12Z,15Z)/18:0)	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10122	PIP2(20:3(5Z,8Z,11Z)/16:0)	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+HMDB10127	PIP2(20:3(8Z,11Z,14Z)/16:0)	C45H83O19P3	1020.474121	NA	HMDB2010	NA	NA
+C14119	Naphthyl-2-oxomethyl-succinyl-CoA	C36H46N7O20P3S	1021.1731	NA	KEGG	NA	NA
+FL7AACGL0115	Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside	C45H49O27	1021.2461	215176-96-8	knapsack	NA	NA
+FL7AAGGL0055	Ternatin C3	C45H49O27	1021.2461	215378-76-0	knapsack	NA	NA
+HMDB03932	(S)-3-Hydroxyhexadecanoyl-CoA	C37H66N7O18P3S	1021.33978	http://www.hmdb.ca/metabolites/HMDB03932	HMDB	NA	NA
+HMDB03932	(S)-3-Hydroxyhexadecanoyl-CoA	C37H66N7O18P3S	1021.33978	HMDB03932	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03932	(S)-3-Hydroxyhexadecanoyl-CoA	C37H66N7O18P3S	1021.339783	NA	HMDB2010	NA	NA
+C05258	(S)-3-Hydroxyhexadecanoyl-CoA	C37H66N7O18P3S	1021.3398	NA	KEGG	NA	NA
+C08032	Quinupristin	C53H67N9O10S	1021.4732	NA	KEGG	NA	NA
+C18059	CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol	C52H85N3O13P2	1021.5558	NA	KEGG	NA	NA
+2794	polyphemusin I from homocytes of horse shoe crab	RRWCFRVCYRGFCYRKCR~	1022.073	MH2+	Inhouse_peptide	NA	peptide
+HMDB10040	PIP2(16:0/20:2(11Z,14Z))	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10064	PIP2(18:0/18:2(9Z,12Z))	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10075	PIP2(18:1(11Z)/18:1(11Z))	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10076	PIP2(18:1(11Z)/18:1(9Z))	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10088	PIP2(18:1(9Z)/18:1(11Z))	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10089	PIP2(18:1(9Z)/18:1(9Z))	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10099	PIP2(18:2(9Z,12Z)/18:0)	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+HMDB10119	PIP2(20:2(11Z,14Z)/16:0)	C45H85O19P3	1022.489807	NA	HMDB2010	NA	NA
+2914	neuropeptide from eyestalk of Macrobrachium rosenb	NRNFLRFG	1022.5288	antibacterial	Inhouse_peptide	NA	peptide
+C15750	Aeruginopeptin 917S-C	C51H74N8O14	1022.5324	NA	KEGG	NA	NA
+2770	NA	WQPPRARI	1022.564	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB10562	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C69H98O6	1022.736328	NA	HMDB2010	NA	NA
+C14118	Naphthyl-2-hydroxymethyl-succinyl CoA	C36H48N7O20P3S	1023.1888	NA	KEGG	NA	NA
+FL7AAAGL0069	Pelargonidin 3-rutinoside-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside)	C46H55O26	1023.2981	215237-88-0	knapsack	NA	NA
+2909	neuropeptide from eyestalk of Macrobrachium rosenb	DRNFLRFG	1023.5128	antibacterial	Inhouse_peptide	NA	peptide
+3436	Lactoferrampin	WKLLSKAQEKFGKNKSR	1023.57545	MH2+	Inhouse_peptide	NA	peptide
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	http://www.hmdb.ca/metabolites/HMDB04879	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	http://www.hmdb.ca/metabolites/HMDB04879	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	http://www.hmdb.ca/metabolites/HMDB04879	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	http://www.hmdb.ca/metabolites/HMDB04879	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	http://www.hmdb.ca/metabolites/HMDB04879	HMDB	NA	NA
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	http://www.hmdb.ca/metabolites/HMDB04879	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.67059	HMDB04879	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04879	Trihexosylceramide (d18:1/16:0)	C52H97NO18	1023.670593	NA	HMDB2010	NA	NA
+HMDB10039	PIP2(16:0/20:1(11Z))	C45H87O19P3	1024.505493	NA	HMDB2010	NA	NA
+HMDB10062	PIP2(18:0/18:1(11Z))	C45H87O19P3	1024.505493	NA	HMDB2010	NA	NA
+HMDB10063	PIP2(18:0/18:1(9Z))	C45H87O19P3	1024.505493	NA	HMDB2010	NA	NA
+HMDB10074	PIP2(18:1(11Z)/18:0)	C45H87O19P3	1024.505493	NA	HMDB2010	NA	NA
+HMDB10087	PIP2(18:1(9Z)/18:0)	C45H87O19P3	1024.505493	NA	HMDB2010	NA	NA
+HMDB10115	PIP2(20:1(11Z)/16:0)	C45H87O19P3	1024.505493	NA	HMDB2010	NA	NA
+2769	NA	YRVRVTPKEKTGPMKEM	1024.5334	MH2+	Inhouse_peptide	NA	peptide
+HMDB10561	TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C69H100O6	1024.751953	NA	HMDB2010	NA	NA
+HMDB06519	Stearidonoyl CoA	C39H62N7O17P3S	1025.313599	NA	HMDB2010	NA	NA
+HMDB06519	stearidonyl coenzyme A	C39H62N7O17P3S	1025.3136	http://www.hmdb.ca/metabolites/HMDB06519	HMDB	NA	NA
+C16163	(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA	C39H62N7O17P3S	1025.3136	NA	KEGG	NA	NA
+HMDB06519	stearidonyl coenzyme A	C39H62N7O17P3S	1025.3136	HMDB06519	PFEM_hmdb_metabocards_official	NA	NA
+3646	stimulating g-interferon production peptide	CPQLQPQNPSQQQPQEQG	1025.44695	MH2+	Inhouse_peptide	NA	peptide
+HMDB06976	CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C50H81N3O15P2	1025.514282	NA	HMDB2010	NA	NA
+2614	synthetic peptide inhibitors of (PEP)	VYPFPGPIH	1025.5179	NA	Inhouse_peptide	NA	peptide
+3437	f(1-8) of bovine lactoferrin 	APRKNVRW	1025.5749	ACE inhibitor	Inhouse_peptide	NA	peptide
+3455	PEP inhibitor	LLSPWNINA	1026.5378	ACE inhibitor	Inhouse_peptide	NA	peptide
+3398	ACE inhibitor (as2-casein fragment; 190-197)	MKPWIQPK	1026.5534	celiac toxic	Inhouse_peptide	NA	peptide
+7471	coeliac toxic peptide	VIPVGGSSALGA	1026.557	antioxidative	Inhouse_peptide	NA	peptide
+HMDB10554	TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	C69H102O6	1026.7677	NA	HMDB2010	NA	NA
+C03035	gamma-Linolenoyl-CoA	C39H64N7O17P3S	1027.3292	NA	KEGG	NA	NA
+C16162	(9Z,12Z,15Z)-Octadecatrienoyl-CoA	C39H64N7O17P3S	1027.3292	NA	KEGG	NA	NA
+HMDB06290	alpha-Linolenoyl-CoA	C39H64N7O17P3S	1027.32922	http://www.hmdb.ca/metabolites/HMDB06290	HMDB	NA	NA
+HMDB06368	gamma-linolenoyl-CoA	C39H64N7O17P3S	1027.32922	http://www.hmdb.ca/metabolites/HMDB06368	HMDB	NA	NA
+HMDB06290	alpha-Linolenoyl-CoA	C39H64N7O17P3S	1027.32922	HMDB06290	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06368	gamma-linolenoyl-CoA	C39H64N7O17P3S	1027.32922	HMDB06368	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06290	Alpha-Linolenoyl-CoA	C39H64N7O17P3S	1027.329224	NA	HMDB2010	NA	NA
+HMDB06368	Gamma-linolenoyl-CoA	C39H64N7O17P3S	1027.329224	NA	HMDB2010	NA	NA
+MetaCyc04372	linolenoyl-CoA []	C39H64N7O17P3S1	1027.329224	NA	metacyc	NA	NA
+MetaCyc04373	&gamma;-linolenoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-(2-octadeca-6,9,12- trienoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;]	C39H64N7O17P3S1	1027.329224	NA	metacyc	NA	NA
+2590	tenecin-1 (17-27)	DAACAAHCLFRG	1027.507	NA	Inhouse_peptide	NA	peptide
+HMDB06991	CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C50H83N3O15P2	1027.529907	NA	HMDB2010	NA	NA
+HMDB06992	CDP-DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C50H83N3O15P2	1027.529907	NA	HMDB2010	NA	NA
+HMDB06999	CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C50H83N3O15P2	1027.529907	NA	HMDB2010	NA	NA
+HMDB07000	CDP-DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C50H83N3O15P2	1027.529907	NA	HMDB2010	NA	NA
+C07550	Mivacurium	C58H80N2O14	1028.561	NA	KEGG	NA	NA
+8315	Anticancer peptide	NLHLPLPLL	1028.6249	NA  ;SYN:(S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; 3-(3-Hydroxyanthraniloyl)-L-alanine; 3-Anthraniloylalanine; 3-Hydroxy-L-kynurenine; 3-anthraniloyl-Alanine; 3-anthraniloyl-L-alanine; DL-Kynureninefree base; Kynurenin;  Quinurenine; alpha,2-diamino-gamma-oxo-Benzenebutanoate; alpha,2-diamino-gamma-oxo-Benzenebutanoic acid; dl-KynurenineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+C16334	3-Oxo-OPC6-CoA	C37H58N7O19P3S	1029.2721	NA	KEGG	NA	NA
+HMDB01064	Linoleoyl-CoA	C39H66N7O17P3S	1029.344849	NA	HMDB2010	NA	NA
+HMDB01064	Linoleoyl-CoA	C39H66N7O17P3S	1029.34485	http://www.hmdb.ca/metabolites/HMDB01064	HMDB	NA	NA
+HMDB01064	Linoleoyl-CoA	C39H66N7O17P3S	1029.34485	HMDB01064	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04374	linoleoyl-CoA []	C39H66N7O17P3S1	1029.344874	NA	metacyc	NA	NA
+C02050	Linoleoyl-CoA	C39H66N7O17P3S	1029.3449	NA	KEGG	NA	NA
+C02051	Lipoylprotein	C8H14NOS2R	1029.3449	NA	KEGG	NA	NA
+3423	ACE inhibitor	QVSLNSGYY	1029.4639	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB06982	CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))	C50H85N3O15P2	1029.545532	NA	HMDB2010	NA	NA
+HMDB06983	CDP-DG(18:0/20:4(8Z,11Z,14Z,17Z))	C50H85N3O15P2	1029.545532	NA	HMDB2010	NA	NA
+7564	ACE inhibitor	LVYPFPGPIPNSLPQNIPP	1029.5479	MH2+	Inhouse_peptide	NA	peptide
+C15182	Temsirolimus	C56H87NO16	1029.6025	NA	KEGG	NA	NA
+3823	NA	GILSKLGKALKKAAKHAAKAG	1030.13745	MH2+	Inhouse_peptide	NA	peptide
+3425	ACE inhibitor	NRVYVHPF	1030.5209	ACE inhibitor	Inhouse_peptide	NA	peptide
+2828	PEP inhibitor	PPAYPPPPVP	1030.532	NA	Inhouse_peptide	NA	peptide
+C08960	Musennin	C51H82O21	1030.5349	NA	KEGG	NA	NA
+C17469	Pseudoprotodioscin	C51H82O21	1030.5349	NA	KEGG	NA	NA
+7745	ACE inhibitor	RMLGQTPTK	1030.5444	antioxidative	Inhouse_peptide	NA	peptide
+18	Troponin C	RMLGQTPTK	1030.549	celiac toxic	Inhouse_peptide	NA	peptide
+C16333	3-Hydroxy-OPC6-CoA	C37H60N7O19P3S	1031.2878	NA	KEGG	NA	NA
+HMDB01322	Oleoyl-CoA	C39H68N7O17P3S	1031.36047	http://www.hmdb.ca/metabolites/HMDB01322	HMDB	NA	NA
+HMDB06521	vaccenyl coenzyme A	C39H68N7O17P3S	1031.36047	http://www.hmdb.ca/metabolites/HMDB06521	HMDB	NA	NA
+HMDB06529	trans-Octadec-2-enoyl-CoA	C39H68N7O17P3S	1031.36047	http://www.hmdb.ca/metabolites/HMDB06529	HMDB	NA	NA
+HMDB01322	Oleoyl-CoA	C39H68N7O17P3S	1031.36047	HMDB01322	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06521	vaccenyl coenzyme A	C39H68N7O17P3S	1031.36047	HMDB06521	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06529	trans-Octadec-2-enoyl-CoA	C39H68N7O17P3S	1031.36047	HMDB06529	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01322	Oleoyl-CoA	C39H68N7O17P3S	1031.360474	NA	HMDB2010	NA	NA
+HMDB06521	cis-Vaccenoyl CoA	C39H68N7O17P3S	1031.360474	NA	HMDB2010	NA	NA
+HMDB06529	trans-Octadec-2-enoyl-CoA	C39H68N7O17P3S	1031.360474	NA	HMDB2010	NA	NA
+C00510	Oleoyl-CoA	C39H68N7O17P3S	1031.3605	NA	KEGG	NA	NA
+C16218	(2E)-Octadecenoyl-CoA	C39H68N7O17P3S	1031.3605	NA	KEGG	NA	NA
+C16219	3-Oxostearoyl-[acp]	C18H33O2SR	1031.3605	NA	KEGG	NA	NA
+C16220	3-Hydroxyoctadecanoyl-[acp]	C18H35O2SR	1031.3605	NA	KEGG	NA	NA
+C16221	(2E)-Octadecenoyl-[acp]	C18H33OSR	1031.3605	NA	KEGG	NA	NA
+MetaCyc04375	oleoyl-CoA []	C39H68N7O17P3S1	1031.360524	NA	metacyc	NA	NA
+2626	synthetic fr,of human beta-CN (55-63) ACE inhibitor	EPIPYGFLP	1031.518	NA	Inhouse_peptide	NA	peptide
+7319	celiac sprue gluten epitope from gamma-gliadin	PLPQPQQPQ	1031.524	antioxidative	Inhouse_peptide	NA	peptide
+7399	celiac sprue gluten epitope found in secalin	PQPQQPIPQ	1031.524	antioxidative	Inhouse_peptide	NA	peptide
+8147	peptide derived from rice bran proteins (Oryza sativa)	VLEANPRSF	1031.5269	anti inflammatory	Inhouse_peptide	NA	peptide
+HMDB06975	CDP-DG(16:0/22:3(10Z,13Z,16Z))	C50H87N3O15P2	1031.561279	NA	HMDB2010	NA	NA
+7366	celiac sprue gluten epitope found in hordein	PQPQQPNPQ	1032.4829	antioxidative	Inhouse_peptide	NA	peptide
+7722	NA	GIEALKYHNMDLGTARGYG	1032.4941	MH2+	Inhouse_peptide	NA	peptide
+7365	celiac sprue gluten epitope found in hordein	PQPQEPIPQ	1032.508	antioxidative	Inhouse_peptide	NA	peptide
+2849	NA	YGGFLRRIRFARKLANQ	1032.5829	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04376	stearoyl-CoA [Stearoyl-CoA (n-C18:0CoA);stearyl-CoA;stearyl coenzyme A;]	C39H70N7O17P3S1	1033.376174	362-66-3	metacyc	NA	NA
+C00412	Stearoyl-CoA	C39H70N7O17P3S	1033.3762	NA	KEGG	NA	NA
+HMDB01114	Stearoyl-CoA	C39H70N7O17P3S	1033.37622	http://www.hmdb.ca/metabolites/HMDB01114	HMDB	NA	NA
+HMDB01114	Stearoyl-CoA	C39H70N7O17P3S	1033.37622	HMDB01114	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01114	Stearoyl-CoA	C39H70N7O17P3S	1033.376221	NA	HMDB2010	NA	NA
+C10827	Tomatine	C50H83NO21	1033.5458	NA	KEGG	NA	NA
+2835	oxitocin	SYIQNSPLGG	1034.4899	antibacterial	Inhouse_peptide	NA	peptide
+C07549	Doxacurium	C56H78N2O16	1034.5351	NA	KEGG	NA	NA
+FL7AACGL0118	Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside	C46H51O27	1035.2617	215176-98-0	knapsack	NA	NA
+3814	ileum contracting peptide	YPMYPLPR	1035.5074	ACE inhibitor	Inhouse_peptide	NA	peptide
+7040	synthetic peptide from alpha-gliadin	IAPFGIFGTN	1035.5249	antioxidative	Inhouse_peptide	NA	peptide
+C12043	Surfactin	C53H93N7O13	1035.6831	NA	KEGG	NA	NA
+3756	NA	QWGRRCCGWGPGRRYCVRWC	1036.03345	MH2+	Inhouse_peptide	NA	peptide
+2854	NA	YGGFLRRIRPKRKLANQ	1036.1034	MH2+	Inhouse_peptide	NA	peptide
+3422	ACE inhibitor	SAYPGQITSN	1036.4689	ACE inhibitor	Inhouse_peptide	NA	peptide
+3132	ester transferases inhibitor	WRMWYVP	1036.4824	celiac toxic	Inhouse_peptide	NA	peptide
+2792	polyphemusin II from homocytes of horse shoe crab	RRWCFRVCYKGFCYRKCRG	1037.072	MH2+	Inhouse_peptide	NA	peptide
+7397	celiac sprue gluten epitope found in secalin	PFPQPQQPT	1038.497	antioxidative	Inhouse_peptide	NA	peptide
+3570	NA	GIQSEPKAIP	1038.556	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB01394	Heparin	C26H41NO34S4	1039.039307	NA	HMDB2010	NA	NA
+HMDB01394	Heparin	C26H41NO34S4	1039.03931	http://www.hmdb.ca/metabolites/HMDB01394	HMDB	NA	NA
+HMDB01394	Heparin	C26H41NO34S4	1039.03931	HMDB01394	PFEM_hmdb_metabocards_official	NA	NA
+2610	synthetic peptide inhibitors of (PEP)	IYPFPGPIH	1039.5341	NA	Inhouse_peptide	NA	peptide
+7388	celiac sprue gluten epitope found in hordein	QQPQLPHGH	1040.499	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11122	trans-2-Enoyl-OPC8-CoA	C39H62N7O18P3S	1041.308472	NA	HMDB2010	NA	NA
+C16328	trans-2-Enoyl-OPC8-CoA	C39H62N7O18P3S	1041.3085	NA	KEGG	NA	NA
+3062	fragment of human beta-casein fr: 1-18	RETIESLSSSEESIPEYK	1041.4895	MH2+	Inhouse_peptide	NA	peptide
+7855	NA	YGGFMRRVG	1041.5044	ACE inhibitor	Inhouse_peptide	NA	peptide
+C04819	beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide	C42H74N8O22	1042.4918	NA	KEGG	NA	NA
+HMDB09954	PIP(18:0/20:3(5Z,8Z,11Z))	C50H92O18P2	1042.575928	NA	HMDB2010	NA	NA
+HMDB09955	PIP(18:0/20:3(8Z,11Z,14Z))	C50H92O18P2	1042.575928	NA	HMDB2010	NA	NA
+HMDB10006	PIP(20:3(5Z,8Z,11Z)/18:0)	C50H92O18P2	1042.575928	NA	HMDB2010	NA	NA
+HMDB10011	PIP(20:3(8Z,11Z,14Z)/18:0)	C50H92O18P2	1042.575928	NA	HMDB2010	NA	NA
+HMDB11115	OPC8-CoA	C39H64N7O18P3S	1043.324097	NA	HMDB2010	NA	NA
+C16327	OPC8-CoA	C39H64N7O18P3S	1043.3241	NA	KEGG	NA	NA
+3663	NA	DLYYLMDL	1044.4722	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB10049	PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10050	PIP2(16:0/22:5(7Z,10Z,13Z,16Z,19Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10058	PIP2(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10083	PIP2(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10084	PIP2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10096	PIP2(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10097	PIP2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10106	PIP2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10107	PIP2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10126	PIP2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10131	PIP2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10134	PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10135	PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10138	PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10139	PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10142	PIP2(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10145	PIP2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+HMDB10146	PIP2(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	C47H83O19P3	1044.474121	NA	HMDB2010	NA	NA
+C15746	Aeruginopeptin 228A	C52H68N8O15	1044.4804	NA	KEGG	NA	NA
+2673	synthetic fr, of human beta-CN (121-129) ACE inhibitor	LENLHLPLP	1044.5829	NA	Inhouse_peptide	NA	peptide
+C08597	Helenien	C72H116O4	1044.8874	NA	KEGG	NA	NA
+C08609	Physalien	C72H116O4	1044.8874	NA	KEGG	NA	NA
+HMDB06498	3-Oxooctadecanoyl-CoA	C39H66N7O18P3S	1045.33984	http://www.hmdb.ca/metabolites/HMDB06498	HMDB	NA	NA
+HMDB06498	3-Oxooctadecanoyl-CoA	C39H66N7O18P3S	1045.33984	HMDB06498	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06498	3-Oxooctadecanoyl-CoA	C39H66N7O18P3S	1045.339844	NA	HMDB2010	NA	NA
+3463	angiotensin II	DRVYIHPF	1045.5209	ACE inhibitor	Inhouse_peptide	NA	peptide
+8125	secretory peptide hormone - angiotensin II	DRVYIHPF	1045.5209	anticancer	Inhouse_peptide	NA	peptide
+C02135	Angiotensin II	C50H71N13O12	1045.5345	NA	KEGG	NA	NA
+HMDB01035	Angiotensin II	C50H71N13O12	1045.534546	NA	HMDB2010	NA	NA
+HMDB01035	Angiotensin II	C50H71N13O12	1045.53455	http://www.hmdb.ca/metabolites/HMDB01035	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01035	Angiotensin II	C50H71N13O12	1045.53455	http://www.hmdb.ca/metabolites/HMDB01035	HMDB	NA	NA
+HMDB01035	Angiotensin II	C50H71N13O12	1045.53455	Bile-acid glycine conjugates  ;SYN:Glycolithocholate 3-sulfate; Glycolithocholic acid 3-sulfate; Glycolithocholic acid sulfate; Sulfoglycolithocholate; Sulfoglycolithocholic acid;glycolithocholate sulfate;glycine amidated;LCA-Sul;GLCA-SulH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01035	Angiotensin II	C50H71N13O12	1045.53455	http://www.hmdb.ca/metabolites/HMDB01035	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01035	Angiotensin II	C50H71N13O12	1045.53455	HMDB01035	PFEM_hmdb_metabocards_official	NA	NA
+3113	adrenocorticotropin hormone fr,:1-17	SYSMEHFRWGKPVGKKR	1046.03015	MH2+	Inhouse_peptide	NA	peptide
+HMDB10047	PIP2(16:0/22:4(10Z,13Z,16Z,19Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10048	PIP2(16:0/22:4(7Z,10Z,13Z,16Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10070	PIP2(18:0/20:4(5Z,8Z,11Z,14Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10071	PIP2(18:0/20:4(8Z,11Z,14Z,17Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10081	PIP2(18:1(11Z)/20:3(5Z,8Z,11Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10082	PIP2(18:1(11Z)/20:3(8Z,11Z,14Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10094	PIP2(18:1(9Z)/20:3(5Z,8Z,11Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10095	PIP2(18:1(9Z)/20:3(8Z,11Z,14Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10105	PIP2(18:2(9Z,12Z)/20:2(11Z,14Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10121	PIP2(20:2(11Z,14Z)/18:2(9Z,12Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10124	PIP2(20:3(5Z,8Z,11Z)/18:1(11Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10125	PIP2(20:3(5Z,8Z,11Z)/18:1(9Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10129	PIP2(20:3(8Z,11Z,14Z)/18:1(11Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10130	PIP2(20:3(8Z,11Z,14Z)/18:1(9Z))	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10133	PIP2(20:4(5Z,8Z,11Z,14Z)/18:0)	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10137	PIP2(20:4(8Z,11Z,14Z,17Z)/18:0)	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10143	PIP2(22:4(10Z,13Z,16Z,19Z)/16:0)	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+HMDB10144	PIP2(22:4(7Z,10Z,13Z,16Z)/16:0)	C47H85O19P3	1046.489746	NA	HMDB2010	NA	NA
+5388	phylloxin	GWMSKIASGIGTFLSGIGQQG	1047.01965	MH2+	Inhouse_peptide	NA	peptide
+C16216	3-Oxostearoyl-CoA	C39H68N7O18P3S	1047.3554	NA	KEGG	NA	NA
+7401	celiac sprue gluten epitope found in secalin	PQPQQQLPL	1047.556	antioxidative	Inhouse_peptide	NA	peptide
+2585	tenecin-1 (33-43)	YCNGKRVCVCRG	1047.5798	NA	Inhouse_peptide	NA	peptide
+7687	ACE inhibitor from ovalbumin	ERKIKVYL	1047.63	antioxidative	Inhouse_peptide	NA	peptide
+FL63AGGC0001	Glochiin C1	C48H40O27	1048.1756	172617-78-6	knapsack	NA	NA
+FL5FAAGS0137	Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'''-p-coumaroylrhamnosyl)-(1->6)-galactoside];Capilliposide II	C48H56O26	1048.3059	479199-52-5	knapsack	NA	NA
+FL5FACGS0121	Quercetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3''-(E)-p-coumaroylgalactoside)]-7-rhamnoside;3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one	C48H56O26	1048.3059	412929-24-9	knapsack	NA	NA
+HMDB10148	PIP3(16:0/16:1(9Z))	C41H80O22P4	1048.40918	NA	HMDB2010	NA	NA
+HMDB10046	PIP2(16:0/22:3(10Z,13Z,16Z))	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10068	PIP2(18:0/20:3(5Z,8Z,11Z))	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10069	PIP2(18:0/20:3(8Z,11Z,14Z))	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10104	PIP2(18:2(9Z,12Z)/20:1(11Z))	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10118	PIP2(20:1(11Z)/18:2(9Z,12Z))	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10123	PIP2(20:3(5Z,8Z,11Z)/18:0)	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10128	PIP2(20:3(8Z,11Z,14Z)/18:0)	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+HMDB10141	PIP2(22:3(10Z,13Z,16Z)/16:0)	C47H87O19P3	1048.505493	NA	HMDB2010	NA	NA
+C08910	Ruscoside	C50H80O23	1048.509	NA	KEGG	NA	NA
+C15747	Aeruginopeptin 228B	C52H72N8O15	1048.5117	NA	KEGG	NA	NA
+C08927	Avenacin B-2	C54H80O20	1048.5243	NA	KEGG	NA	NA
+C08906	Parillin	C51H84O22	1048.5454	NA	KEGG	NA	NA
+C08907	Protodioscin	C51H84O22	1048.5454	NA	KEGG	NA	NA
+C08917	Trigonelloside C	C51H84O22	1048.5454	NA	KEGG	NA	NA
+8333	f(21-29) of alpha S1 casein	IKHQGLPQE	1048.551	Dipeptides  ;SYN:1-(Aminoacetyl)proline; 1-Glycylproline; 1-glycyl-L-Proline; GLY-pro; N-Glycyl-l-proline; N-glycylprolineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+5435	human lactoferricin (LFh 20-38)	CFQWQRNMRKVRGPPVSCI	1049.0602	MH2+	Inhouse_peptide	NA	peptide
+HMDB06508	Retinoyl CoA	C41H62N7O17P3S	1049.313599	NA	HMDB2010	NA	NA
+HMDB06508	retinoyl CoA	C41H62N7O17P3S	1049.3136	http://www.hmdb.ca/metabolites/HMDB06508	HMDB	NA	NA
+HMDB06508	retinoyl CoA	C41H62N7O17P3S	1049.3136	HMDB06508	PFEM_hmdb_metabocards_official	NA	NA
+C16217	3-Hydroxyoctadecanoyl-CoA	C39H70N7O18P3S	1049.3711	NA	KEGG	NA	NA
+7812	ACE inhibitor from blue mussel	EVMAGNYLPG	1049.4713	ACE inhibitor	Inhouse_peptide	NA	peptide
+8176	peptide derived from ovine colostral whey	VESYVPLFP	1049.529	antibacterial	Inhouse_peptide	NA	peptide
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.686157	NA	HMDB2010	NA	NA
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	http://www.hmdb.ca/metabolites/HMDB04878	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	http://www.hmdb.ca/metabolites/HMDB04878	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	http://www.hmdb.ca/metabolites/HMDB04878	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	http://www.hmdb.ca/metabolites/HMDB04878	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	http://www.hmdb.ca/metabolites/HMDB04878	HMDB	NA	NA
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	http://www.hmdb.ca/metabolites/HMDB04878	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04878	Trihexosylceramide (d18:1/9Z-18:1)	C54H99NO18	1049.68628	HMDB04878	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04377	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate [UDP-N-acetylmuramoyl-L-alanyl-D-&gamma;-glutamyl-meso-2,6-diaminopimelate;UDP-N-acetylmuramoyl-L-alanyl-&gamma;-D-glutamyl-meso-diaminopimelate;UDP-MurNAc-L-Ala-D-Glu-mesoA2pm;]	C35H54N7O26P2	1050.259373	NA	metacyc	NA	NA
+HMDB10147	PIP3(16:0/16:0)	C41H82O22P4	1050.424805	NA	HMDB2010	NA	NA
+HMDB10045	PIP2(16:0/22:2(13Z,16Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10067	PIP2(18:0/20:2(11Z,14Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10080	PIP2(18:1(11Z)/20:1(11Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10093	PIP2(18:1(9Z)/20:1(11Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10103	PIP2(18:2(9Z,12Z)/20:0)	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10114	PIP2(20:0/18:2(9Z,12Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10116	PIP2(20:1(11Z)/18:1(11Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10117	PIP2(20:1(11Z)/18:1(9Z))	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10120	PIP2(20:2(11Z,14Z)/18:0)	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+HMDB10140	PIP2(22:2(13Z,16Z)/16:0)	C47H89O19P3	1050.521118	NA	HMDB2010	NA	NA
+C08900	Gitonin	C50H82O23	1050.5247	NA	KEGG	NA	NA
+7349	celiac sprue gluten epitope found in omega-gliadin	PFPQPQQPI	1050.534	antioxidative	Inhouse_peptide	NA	peptide
+7350	celiac sprue gluten epitope found in omega-gliadin	PQPQLPFPQ	1050.534	antioxidative	Inhouse_peptide	NA	peptide
+7357	celiac sprue gluten epitope found in hordein	PFPQQPIPQ	1050.534	antioxidative	Inhouse_peptide	NA	peptide
+7361	celiac sprue gluten epitope found in hordein	PLPQPQQPF	1050.534	antioxidative	Inhouse_peptide	NA	peptide
+7363	celiac sprue gluten epitope found in hordein	PQPFPQQPI	1050.534	antioxidative	Inhouse_peptide	NA	peptide
+2795	polyphemusin I from homocytes of horse shoe crab	RRWCFRVCYRGFCYRKCRG	1051.07545	MH2+	Inhouse_peptide	NA	peptide
+C04877	UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-	C35H55N7O26P2	1051.2672	NA	KEGG	NA	NA
+C04880	N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(R1)-beta-D-	C20H34NO16R	1051.2672	NA	KEGG	NA	NA
+FL7AACGL0088	Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside	C47H55O27	1051.293	-	knapsack	NA	NA
+C16165	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA	C41H64N7O17P3S	1051.3292	NA	KEGG	NA	NA
+HMDB06514	timnodonyl coenzyme A	C41H64N7O17P3S	1051.32922	http://www.hmdb.ca/metabolites/HMDB06514	HMDB	NA	NA
+HMDB06514	timnodonyl coenzyme A	C41H64N7O17P3S	1051.32922	HMDB06514	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06514	Timnodonyl CoA	C41H64N7O17P3S	1051.329224	NA	HMDB2010	NA	NA
+7355	celiac sprue gluten epitope found in hordein	PFPQPQQPN	1051.4929	antioxidative	Inhouse_peptide	NA	peptide
+7354	celiac sprue gluten epitope found in hordein	PFPQPQEPI	1051.518	antioxidative	Inhouse_peptide	NA	peptide
+HMDB06994	CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H83N3O15P2	1051.529907	NA	HMDB2010	NA	NA
+HMDB07002	CDP-DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H83N3O15P2	1051.529907	NA	HMDB2010	NA	NA
+7707	pyrokinin TENMO-PK-3	HLSPFSPRL~	1051.579	antioxidative	Inhouse_peptide	NA	peptide
+8169	ACE inhibitor	GPVRGPFPII	1051.603	antibacterial	Inhouse_peptide	NA	peptide
+8286	antioxidative peptide	GPVRGPFPII	1051.603	NA  ;SYN:15N-acetylglycine a-radical; 2-acetamidoacetate; 2-acetamidoacetic acid; Acetylglycine; N-acetylglycine sodium salt; acetamidoacetate; acetamidoacetic acid; aceturate; aceturic acid; acetylaminoacetate; acetylaminoacetic acid; acetylglycocoll; ethanoylaminoethanoate; ethanoylaminoethanoic acid; n-acetyl-glycine; n-acetylglycine; Ac GlyH2Blood; Urine	Inhouse_peptide	NA	peptide
+C01776	Aculeacin A	C51H85N7O16	1051.6053	NA	KEGG	NA	NA
+C01777	Acylcholine	C6H13NO2R	1051.6053	NA	KEGG	NA	NA
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	http://www.hmdb.ca/metabolites/HMDB04880	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	http://www.hmdb.ca/metabolites/HMDB04880	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	http://www.hmdb.ca/metabolites/HMDB04880	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	http://www.hmdb.ca/metabolites/HMDB04880	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	http://www.hmdb.ca/metabolites/HMDB04880	HMDB	NA	NA
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	http://www.hmdb.ca/metabolites/HMDB04880	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.7019	HMDB04880	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04880	Trihexosylceramide (d18:1/18:0)	C54H101NO18	1051.701904	NA	HMDB2010	NA	NA
+HMDB01165	Keratan	C28H48N2O32S4	1052.1073	http://www.hmdb.ca/metabolites/HMDB01165	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01165	Keratan	C28H48N2O32S4	1052.1073	http://www.hmdb.ca/metabolites/HMDB01165	HMDB	NA	NA
+HMDB01165	Keratan	C28H48N2O32S4	1052.1073	http://www.hmdb.ca/metabolites/HMDB01165	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01165	Keratan	C28H48N2O32S4	1052.1073	HMDB01165	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01165	Keratan	C28H48N2O32S4	1052.1073	NA	HMDB2010	NA	NA
+8204	peptide from Cornu Bubali (Bubalus Bubalis horn)	YEDCTDCGN	1052.2697	Short chain acyl carnitines  ;SYN:2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-Ethanaminium inner salt; Choline Alfoscerate; Choline glycerophosphate; Glycerol 3-phosphocholine; Glycerol phosphorylcholine; Glycerol-3-phosphatidylcholine; Glycerophosphatidylcholine; Glycerophosphocholine; Glycerophosphorylcholine; L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt; L-alpha-Glycerophosphocholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; a-Glycerophosphorylcholine; a-Glycerylphosphorylcholine; alpha-Glycerophosphorylcholine; hydrogen glycerophosphate Choline; sn-Glycero-3-phosphocholine; alpha-Glycerylphosphorylcholine; GPCho; GPCH2Blood; Breast Milk; Cerebrospinal Fluid; Semen	Inhouse_peptide	NA	peptide
+2911	neuropeptide from eyestalk of Macrobrachium rosenb	SDRNFLRF~	1052.5398	antibacterial	Inhouse_peptide	NA	peptide
+8174	peptide derived from bovine b-casein (1-28)	LLYQEPVLGPVRGPFPIIV	1053.103	MH2+	Inhouse_peptide	NA	peptide
+HMDB03951	5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA	C41H66N7O17P3S	1053.344849	NA	HMDB2010	NA	NA
+HMDB06523	Arachidonyl-CoA	C41H66N7O17P3S	1053.344849	NA	HMDB2010	NA	NA
+HMDB03951	5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA	C41H66N7O17P3S	1053.34485	http://www.hmdb.ca/metabolites/HMDB03951	HMDB	NA	NA
+HMDB03951	5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA	C41H66N7O17P3S	1053.34485	HMDB03951	PFEM_hmdb_metabocards_official	NA	NA
+C02249	Arachidonyl-CoA	C41H66N7O17P3S	1053.3449	NA	KEGG	NA	NA
+C02251	Artiopeptin III	C41H66N7O17P3S	1053.3449	NA	KEGG	NA	NA
+C02252	Arylhydroxamate	NH2OR	1053.3449	NA	KEGG	NA	NA
+C16164	(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA	C41H66N7O17P3S	1053.3449	NA	KEGG	NA	NA
+7455	coeliac toxic peptide	QVQWPQQQPFPQPQQPF	1053.5035	MH2+	Inhouse_peptide	NA	peptide
+HMDB06985	CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C52H85N3O15P2	1053.545532	NA	HMDB2010	NA	NA
+5492	Apidaecin IB	GNNRPVYIPQPRPPHPRL	1053.56835	MH2+	Inhouse_peptide	NA	peptide
+8314	Anticancer peptide	LNENLLRFFVAPFPEVFG	1054.0464	MH2+	Inhouse_peptide	NA	peptide
+C15435	Fenbutatin oxide	C60H78OSn2	1054.4097	NA	KEGG	NA	NA
+C03595	8,11,14-Eicosatrienoyl-CoA	C41H68N7O17P3S	1055.3605	NA	KEGG	NA	NA
+C03597	Actinomycinic monolactone	C41H68N7O17P3S	1055.3605	NA	KEGG	NA	NA
+C16179	(11Z,14Z,17Z)-Icosatrienoyl-CoA	C41H68N7O17P3S	1055.3605	NA	KEGG	NA	NA
+C07105	Lys-vasopressin	C46H65N13O12S2	1055.4317	NA	KEGG	NA	NA
+HMDB01980	Vasopressin	C46H65N13O12S2	1055.43176	http://www.hmdb.ca/metabolites/HMDB01980	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01980	Vasopressin	C46H65N13O12S2	1055.43176	http://www.hmdb.ca/metabolites/HMDB01980	HMDB	NA	NA
+HMDB01980	Vasopressin	C46H65N13O12S2	1055.43176	NA  ;SYN:(2R)-2,5-diaminopentanoate; (2R)-2,5-diaminopentanoic acid; (R)-ornithine; ornithineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01980	Vasopressin	C46H65N13O12S2	1055.43176	http://www.hmdb.ca/metabolites/HMDB01980	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01980	Vasopressin	C46H65N13O12S2	1055.43176	HMDB01980	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01980	Vasopressin	C46H65N13O12S2	1055.431763	NA	HMDB2010	NA	NA
+C12156	Nystatin A3	C53H85NO20	1055.5665	NA	KEGG	NA	NA
+C08031	Erythromycin estolate	C40H71NO14	1055.6426	NA	KEGG	NA	NA
+HMDB02071	O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose	C40H68N2O30	1056.38574	http://www.hmdb.ca/metabolites/HMDB02071	HMDB	NA	NA
+HMDB02071	O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose	C40H68N2O30	1056.38574	HMDB02071	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02071	O-2-(acetylamino)-2-deoxy-a-D-Gal-(1->3)-O-[6-deoxy-a-L-Gal-(1->2)]-O-b-D-Gal-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-Glc-(1->3)-O-b-D-Gal-(1->4)-D-Glucose	C40H68N2O30	1056.385742	NA	HMDB2010	NA	NA
+C16885	Gambieric acid A	C59H92O16	1056.6385	NA	KEGG	NA	NA
+MetaCyc04378	2'-(5''-triphosphoribosyl)-3'-dephospho-CoA []	C26H44N7O26P5S1	1057.074478	NA	metacyc	NA	NA
+C16330	3-Oxo-OPC8-CoA	C39H62N7O19P3S	1057.3034	NA	KEGG	NA	NA
+C16180	(11Z,14Z)-Icosadienoyl-CoA	C41H70N7O17P3S	1057.3762	NA	KEGG	NA	NA
+HMDB06993	CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z))	C52H89N3O15P2	1057.576904	NA	HMDB2010	NA	NA
+HMDB07001	CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z))	C52H89N3O15P2	1057.576904	NA	HMDB2010	NA	NA
+2771	NA	YEKPGSPPREVVPRPRPGV	1058.067	MH2+	Inhouse_peptide	NA	peptide
+C08956	Helianthoside A	C53H86O21	1058.5662	NA	KEGG	NA	NA
+2855	NA	FGGFTRRIRPKLKWDNQ	1059.0714	MH2+	Inhouse_peptide	NA	peptide
+C16329	3-Hydroxy-OPC8-CoA	C39H64N7O19P3S	1059.3191	NA	KEGG	NA	NA
+C16530	Icosenoyl-CoA	C41H72N7O17P3S	1059.3918	NA	KEGG	NA	NA
+3340	bradykinin	RPPGFSPFR	1059.547	celiac toxic	Inhouse_peptide	NA	peptide
+3101	beta-amyloid protein fragment:25-35	GSNKGAIIGLM	1059.5613	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04246	Bradykinin	C50H73N15O11	1059.5614	http://www.hmdb.ca/metabolites/HMDB04246	HMDB	NA	NA
+C00306	Bradykinin	C50H73N15O11	1059.5614	NA	KEGG	NA	NA
+HMDB04246	Bradykinin	C50H73N15O11	1059.5614	HMDB04246	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04246	Bradykinin	C50H73N15O11	1059.561401	NA	HMDB2010	NA	NA
+HMDB06984	CDP-DG(18:0/22:3(10Z,13Z,16Z))	C52H91N3O15P2	1059.592529	NA	HMDB2010	NA	NA
+7713	NA	AWQSLQSGW~	1060.496	antioxidative	Inhouse_peptide	NA	peptide
+3456	PEP inhibitor	LSPFWNINA	1060.5217	ACE inhibitor	Inhouse_peptide	NA	peptide
+C16852	Gambiertoxin 4b	C60H84O16	1060.5759	NA	KEGG	NA	NA
+5491	Apidaecin II	GNNRPIYIPQPRPPHPRL	1060.5764	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04379	3-oxopristanoyl-CoA [[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-[2-(2,6,10,14-tetramethyl-3-oxo- pentadecanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]- phosphinoyl]oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl] oxyphosphonic acid;]	C40H70N7O18P3S1	1061.371089	NA	metacyc	NA	NA
+HMDB02057	Pristanoyl-CoA	C40H70N7O18P3S	1061.37109	http://www.hmdb.ca/metabolites/HMDB02057	HMDB	NA	NA
+HMDB02057	Pristanoyl-CoA	C40H70N7O18P3S	1061.37109	HMDB02057	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02057	Pristanoyl-CoA	C40H70N7O18P3S	1061.371094	NA	HMDB2010	NA	NA
+C07297	3-Oxopristanoyl-CoA	C40H70N7O18P3S	1061.3711	NA	KEGG	NA	NA
+C07299	Cutin	C40H70N7O18P3S	1061.3711	NA	KEGG	NA	NA
+C07300	Cutin monomer	C40H70N7O18P3S	1061.3711	NA	KEGG	NA	NA
+HMDB01359	Phytanoyl-CoA	C41H74N7O17P3S	1061.40747	http://www.hmdb.ca/metabolites/HMDB01359	HMDB	NA	NA
+HMDB04258	Eicosanoyl-CoA	C41H74N7O17P3S	1061.40747	http://www.hmdb.ca/metabolites/HMDB04258	HMDB	NA	NA
+HMDB06504	phytanoyl CoA	C41H74N7O17P3S	1061.40747	http://www.hmdb.ca/metabolites/HMDB06504	HMDB	NA	NA
+HMDB06523	arachidyl coenzyme A	C41H74N7O17P3S	1061.40747	http://www.hmdb.ca/metabolites/HMDB06523	HMDB	NA	NA
+HMDB01359	Phytanoyl-CoA	C41H74N7O17P3S	1061.40747	HMDB01359	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04258	Eicosanoyl-CoA	C41H74N7O17P3S	1061.40747	HMDB04258	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06504	phytanoyl CoA	C41H74N7O17P3S	1061.40747	HMDB06504	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06523	arachidyl coenzyme A	C41H74N7O17P3S	1061.40747	HMDB06523	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01359	Phytanoyl-CoA	C41H74N7O17P3S	1061.407471	NA	HMDB2010	NA	NA
+HMDB04258	Eicosanoyl-CoA	C41H74N7O17P3S	1061.407471	NA	HMDB2010	NA	NA
+MetaCyc04380	icosanoyl-CoA [eicosanoyl-CoA;[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-3-[2-(2-icosanoylsulfanylethylcarbamoyl)ethylcarbamoyl]- 2,2-dimethyl-propoxy]-phosphinoyl]oxy-phosphinoyl]oxymethyl] tetrahydrofuran-3-yl]oxyphosphonic acid;]	C41H74N7O17P3S1	1061.407474	NA	metacyc	NA	NA
+MetaCyc04381	phytanoyl-CoA []	C41H74N7O17P3S1	1061.407474	NA	metacyc	NA	NA
+C02041	Eicosanoyl-CoA	C41H74N7O17P3S	1061.4075	NA	KEGG	NA	NA
+C02060	Phytanoyl-CoA	C41H74N7O17P3S	1061.4075	NA	KEGG	NA	NA
+C02061	Plastoquinone	C8H8O2	1061.4075	NA	KEGG	NA	NA
+C02062	Prokallikrein	C8H8O2	1061.4075	NA	KEGG	NA	NA
+8336	fragment 165-181of ovine as2-casein	LKKISQRYQKFALPQYL	1061.604	MH2+	Inhouse_peptide	NA	peptide
+FL5FADGS0033	Isorhamnetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside;Quercetin 3'-methyl ether 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside;3-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-3-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	C49H58O26	1062.3216	412929-26-1	knapsack	NA	NA
+C08887	Avenacoside A	C51H82O23	1062.5247	NA	KEGG	NA	NA
+7321	celiac sprue gluten epitope from gamma-gliadin	PQPQQQLPQ	1062.53	antioxidative	Inhouse_peptide	NA	peptide
+7324	celiac sprue gluten epitope from gamma-gliadin	PQQQIPQPQ	1062.53	antioxidative	Inhouse_peptide	NA	peptide
+7325	celiac sprue gluten epitope from gamma-gliadin	PQQQLPQPQ	1062.53	antioxidative	Inhouse_peptide	NA	peptide
+7335	celiac sprue gluten epitope from gamma-gliadin	QQPQQPLPQ	1062.53	antioxidative	Inhouse_peptide	NA	peptide
+7385	celiac sprue gluten epitope found in hordein	QQPLPQQPQ	1062.53	antioxidative	Inhouse_peptide	NA	peptide
+7395	celiac sprue gluten epitope found in hordein*	QQPIPQQPQ	1062.53	antioxidative	Inhouse_peptide	NA	peptide
+C17468	Methylprotodioscin	C52H86O22	1062.5611	NA	KEGG	NA	NA
+7386	celiac sprue gluten epitope found in hordein	QQPNPQQPQ	1063.4889	antioxidative	Inhouse_peptide	NA	peptide
+7376	celiac sprue gluten epitope found in hordein	QEPIPQQPQ	1063.514	antioxidative	Inhouse_peptide	NA	peptide
+3031	calmodulin-binding peptide 	KPWIQPKTKVIPYVRYL	1064.1185	MH2+	Inhouse_peptide	NA	peptide
+FL5FAAGL0105	Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside)	C48H56O27	1064.3008	173268-25-2	knapsack	NA	NA
+FL5FACGS0122	Capilliposide I;Quercetin 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'''-p-coumaroylrhamnosyl)-(1->6)-galactoside];3-[[O-beta-D-glucopyranosyl-(1->3)-O-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl-(1->6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one	C48H56O27	1064.3008	479199-50-3	knapsack	NA	NA
+C17537	Sibiricoside B	C50H80O24	1064.504	NA	KEGG	NA	NA
+C08895	Deltoside	C51H84O23	1064.5403	NA	KEGG	NA	NA
+C08908	Protogracillin	C51H84O23	1064.5403	NA	KEGG	NA	NA
+3758	NA	QWGRRCCGWGPGRRYCRRWC	1064.55005	MH2+	Inhouse_peptide	NA	peptide
+8198	f(92-100) of bovine b-lactoglobulin 	VLVLDTDYK	1064.5618	NA  ;SYN:((amino(imino)methyl)(methyl)amino)acetate; ((amino(imino)methyl)(methyl)amino)acetic acid; (alpha-Methylguanido)acetate; (alpha-Methylguanido)acetic acid; Cosmocair C 100; Creatin; Creatine; Creatine hydrate; Kreatin; Krebiozon; Methylguanidoacetate; Methylguanidoacetic acid; N-(Aminoiminomethyl)-N-Methyl-Glycine; N-Methyl-N-guanylglycine; Phosphagen; [[Amino(imino)methyl](methyl)amino]acetate; [[Amino(imino)methyl](methyl)amino]acetic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB04890	Ganglioside GA2 (d18:1/16:0)	C54H100N2O18	1064.69714	http://www.hmdb.ca/metabolites/HMDB04890	HMDB	NA	NA
+HMDB04890	Ganglioside GA2 (d18:1/16:0)	C54H100N2O18	1064.69714	HMDB04890	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04890	Ganglioside GA2 (d18:1/16:0)	C54H100N2O18	1064.697144	NA	HMDB2010	NA	NA
+2860	NA	FGGFLRRIRPKLKWDNQ	1065.08985	MH2+	Inhouse_peptide	NA	peptide
+FL7AAAGL0061	Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-p-coumarylglucoside)-5-glucoside	C51H53O25	1065.2875	448963-06-2	knapsack	NA	NA
+FL7AACGL0109	Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside	C51H53O25	1065.2875	203396-74-1	knapsack	NA	NA
+7310	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQPQ	1065.508	antioxidative	Inhouse_peptide	NA	peptide
+7364	celiac sprue gluten epitope found in hordein	PQPFPQQPQ	1065.508	antioxidative	Inhouse_peptide	NA	peptide
+2897	neuropeptide from eyestalk of Macrobrachium rosenb	TNRNFLRF~	1065.5708	antibacterial	Inhouse_peptide	NA	peptide
+7330	celiac sprue gluten epitope from gamma-gliadin	QIPQTQQPQ	1066.525	antioxidative	Inhouse_peptide	NA	peptide
+7392	celiac sprue gluten epitope found in hordein	QQTIPQQPQ	1066.525	antioxidative	Inhouse_peptide	NA	peptide
+7359	celiac sprue gluten epitope found in hordein	PIPQQPQPY	1066.529	antioxidative	Inhouse_peptide	NA	peptide
+2920	neuropeptide from eyestalk of Macrobrachium rosenb	ADKNFLRFG	1066.5427	antibacterial	Inhouse_peptide	NA	peptide
+2698	NA	LAIEGPTLRQWLHGNGRDT	1066.5454	MH2+	Inhouse_peptide	NA	peptide
+C15698	Nostopeptolide A2	C52H78N10O14	1066.5699	NA	KEGG	NA	NA
+3670	NA	KGWHKRKK	1066.635	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04382	arachidonyl-CoA [arachidonoyl-CoA;]	C42H68N7O17P3S1	1067.360524	17046-56-9	metacyc	NA	NA
+3106	adrenocorticotropin hormone Y fr:4-9	YMEHFRW	1067.4514	celiac toxic	Inhouse_peptide	NA	peptide
+7382	celiac sprue gluten epitope found in hordein	QQPFPQQPV	1067.524	antioxidative	Inhouse_peptide	NA	peptide
+3757	NA	QYGRRCCNWGPGRRYCKWRC	1067.54945	MH2+	Inhouse_peptide	NA	peptide
+5441	caprine LF (from caprine lactoferrin 271-288)	LRKAQEKFGKNKSQSFQL	1068.08095	MH2+	Inhouse_peptide	NA	peptide
+C06944	Desmopressin	C46H64N14O12S2	1068.427	NA	KEGG	NA	NA
+C06945	Transferred to D00292	C46H64N14O12S2	1068.427	NA	KEGG	NA	NA
+3773	dipeptidyl aminopeptidase inhibitor	EPPPPEPPPI	1068.532	ACE inhibitor	Inhouse_peptide	NA	peptide
+2695	NA	TIKGPTLRQWLKSREHTS	1068.5785	MH2+	Inhouse_peptide	NA	peptide
+7315	celiac sprue gluten epitope from gamma-gliadin	PFPQQPQQT	1069.503	antioxidative	Inhouse_peptide	NA	peptide
+7317	celiac sprue gluten epitope from gamma-gliadin	PFPQTQQPQ	1069.503	antioxidative	Inhouse_peptide	NA	peptide
+7367	celiac sprue gluten epitope found in hordein	PQPTQQFPQ	1069.503	antioxidative	Inhouse_peptide	NA	peptide
+7348	celiac sprue gluten epitope found in omega-gliadin	PFPQPQLPF	1069.544	antioxidative	Inhouse_peptide	NA	peptide
+C16886	Gambieric acid B	C60H94O16	1070.6542	NA	KEGG	NA	NA
+3671	NA	QYRHRCCAWGPGRKYCKRWC	1072.0615	MH2+	Inhouse_peptide	NA	peptide
+2972	maculatin 1,1, from Litoria genimaculata	GLFGVLAKVAAHVVPAIAEHF~	1072.1035	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04383	CoA-glutathione []	C31H51N10O22P3S2	1072.183364	NA	metacyc	NA	NA
+C00920	CoA-glutathione	C31H51N10O22P3S2	1072.1834	NA	KEGG	NA	NA
+HMDB02295	O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G	C40H68N2O31	1072.380615	NA	HMDB2010	NA	NA
+HMDB06602	Lacto-N-hexaose	C40H68N2O31	1072.380615	NA	HMDB2010	NA	NA
+HMDB06610	Lacto-N-neohexaose	C40H68N2O31	1072.380615	NA	HMDB2010	NA	NA
+HMDB06628	p-Lacto-N-hexaose	C40H68N2O31	1072.380615	NA	HMDB2010	NA	NA
+HMDB06667	O-b-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Glucose	C40H68N2O31	1072.380615	NA	HMDB2010	NA	NA
+HMDB02295	O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G	C40H68N2O31	1072.38062	http://www.hmdb.ca/metabolites/HMDB02295	HMDB	NA	NA
+HMDB06602	Lacto-N-hexaose	C40H68N2O31	1072.38062	http://www.hmdb.ca/metabolites/HMDB06602	HMDB	NA	NA
+HMDB06610	Lacto-N-neohexaose	C40H68N2O31	1072.38062	http://www.hmdb.ca/metabolites/HMDB06610	HMDB	NA	NA
+HMDB06628	pLNH	C40H68N2O31	1072.38062	http://www.hmdb.ca/metabolites/HMDB06628	HMDB	NA	NA
+HMDB06667	O-beta-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose	C40H68N2O31	1072.38062	http://www.hmdb.ca/metabolites/HMDB06667	HMDB	NA	NA
+HMDB02295	O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->3(or 1->6)]-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-[1->6(or 1->3)]]-O-b-D-galactopyranosyl-(1->4)-D-G	C40H68N2O31	1072.38062	HMDB02295	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06602	Lacto-N-hexaose	C40H68N2O31	1072.38062	HMDB06602	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06610	Lacto-N-neohexaose	C40H68N2O31	1072.38062	HMDB06610	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06628	pLNH	C40H68N2O31	1072.38062	HMDB06628	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06667	O-beta-D-galactofuranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose	C40H68N2O31	1072.38062	HMDB06667	PFEM_hmdb_metabocards_official	NA	NA
+3826	peptide from soybean b-conglycinin (Glycine max)	LVNPHDHQN	1072.4907	neuropeptide	Inhouse_peptide	NA	peptide
+C15748	Aeruginopeptin 917S-A	C54H72N8O15	1072.5117	NA	KEGG	NA	NA
+2858	dynorphin A	YGGFLRRIRPKLKWDNQ	1073.0874	MH2+	Inhouse_peptide	NA	peptide
+HMDB06267	Clupanodonyl CoA	C43H64N7O17P3S	1075.329224	NA	HMDB2010	NA	NA
+HMDB11656	2,4,7,10,13,16,19-Docosaheptaenoyl-CoA	C43H64N7O17P3S	1075.329224	NA	HMDB2010	NA	NA
+7352	celiac sprue gluten epitope found in omega-gliadin	PYPQQPYPS	1075.482	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11728	Bradykinin hydroxyproline	C50H73N15O12	1075.556274	NA	HMDB2010	NA	NA
+HMDB01433	Diadenosine heptaphosphate	C20H31N10O28P7	1075.947266	NA	HMDB2010	NA	NA
+HMDB01433	Diadenosine heptaphosphate	C20H31N10O28P7	1075.94727	http://www.hmdb.ca/metabolites/HMDB01433	HMDB	NA	NA
+HMDB01433	Diadenosine heptaphosphate	C20H31N10O28P7	1075.94727	HMDB01433	PFEM_hmdb_metabocards_official	NA	NA
+HMDB10149	PIP3(16:0/18:1(11Z))	C43H84O22P4	1076.44043	NA	HMDB2010	NA	NA
+HMDB10150	PIP3(16:0/18:1(9Z))	C43H84O22P4	1076.44043	NA	HMDB2010	NA	NA
+HMDB10151	PIP3(18:0/16:1(9Z))	C43H84O22P4	1076.44043	NA	HMDB2010	NA	NA
+3649	heparin-binding peptide	APAKNVAWCT	1076.4939	ACE inhibitor	Inhouse_peptide	NA	peptide
+C15749	Aeruginopeptin 917S-B	C54H76N8O15	1076.543	NA	KEGG	NA	NA
+C16169	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA	C43H66N7O17P3S	1077.3449	NA	KEGG	NA	NA
+HMDB01295	2-Hydroxyphytanoyl-CoA	C41H74N7O18P3S	1077.40234	http://www.hmdb.ca/metabolites/HMDB01295	HMDB	NA	NA
+HMDB01295	2-Hydroxyphytanoyl-CoA	C41H74N7O18P3S	1077.40234	HMDB01295	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01295	2-Hydroxyphytanoyl-CoA	C41H74N7O18P3S	1077.402344	NA	HMDB2010	NA	NA
+MetaCyc04384	2-hydroxyphytanoyl-CoA []	C41H74N7O18P3S1	1077.402389	NA	metacyc	NA	NA
+C07343	2-Hydroxyphytanoyl-CoA	C41H74N7O18P3S	1077.4024	NA	KEGG	NA	NA
+7320	celiac sprue gluten epitope from gamma-gliadin	PQPQQPQQQ	1077.504	antioxidative	Inhouse_peptide	NA	peptide
+3413	ACE inhibitor	LNPPHQIYP	1077.5459	ACE inhibitor	Inhouse_peptide	NA	peptide
+7576	ACE inhibitor from chicken muscle	IVGRRRHQG	1077.613	antioxidative	Inhouse_peptide	NA	peptide
+C06432	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanine	C37H60N8O25P2	1078.3145	NA	KEGG	NA	NA
+33	Myofibrillar	SIDDQEELM	1078.438	celiac toxic	Inhouse_peptide	NA	peptide
+2746	activating kinases and phosphatases peptide	EPFYVNVPD	1078.4828	antibacterial	Inhouse_peptide	NA	peptide
+7362	celiac sprue gluten epitope found in hordein	PQHQFPQPT	1078.503	antioxidative	Inhouse_peptide	NA	peptide
+7360	celiac sprue gluten epitope found in hordein	PLPRPQQPF	1078.577	antioxidative	Inhouse_peptide	NA	peptide
+7495	ACE inhibitor (from bovine b-CN)	NIPPLTQTPV	1078.5869	antioxidative	Inhouse_peptide	NA	peptide
+FL7AAAGL0043	Pelargonidin 3-(6''-p-coumaryl-2'''-sinapylsambubioside)-5-glucoside	C52H55O25	1079.3032	175738-03-1	knapsack	NA	NA
+FL7AAAGL0064	Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-p-coumarylglucoside)-5-glucoside	C52H55O25	1079.3032	448963-08-4	knapsack	NA	NA
+HMDB06513	docosa-4,7,10,13,16-pentaenoyl coenzyme A	C43H68N7O17P3S	1079.36047	http://www.hmdb.ca/metabolites/HMDB06513	HMDB	NA	NA
+HMDB06513	docosa-4,7,10,13,16-pentaenoyl coenzyme A	C43H68N7O17P3S	1079.36047	HMDB06513	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06513	Docosa-4,7,10,13,16-pentaenoyl CoA	C43H68N7O17P3S	1079.360474	NA	HMDB2010	NA	NA
+C16166	(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA	C43H68N7O17P3S	1079.3605	NA	KEGG	NA	NA
+C16173	(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA	C43H68N7O17P3S	1079.3605	NA	KEGG	NA	NA
+C16174	Litorin	C43H68N7O17P3S	1079.3605	NA	KEGG	NA	NA
+C16175	Ranatensin	C43H68N7O17P3S	1079.3605	NA	KEGG	NA	NA
+C16176	Sarafotoxin S6b	C43H68N7O17P3S	1079.3605	NA	KEGG	NA	NA
+C16178	Insulin-like peptide 5	C43H68N7O17P3S	1079.3605	NA	KEGG	NA	NA
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	http://www.hmdb.ca/metabolites/HMDB04881	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	http://www.hmdb.ca/metabolites/HMDB04881	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	http://www.hmdb.ca/metabolites/HMDB04881	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	http://www.hmdb.ca/metabolites/HMDB04881	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	http://www.hmdb.ca/metabolites/HMDB04881	HMDB	NA	NA
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	http://www.hmdb.ca/metabolites/HMDB04881	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.73315	HMDB04881	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04881	Trihexosylceramide (d18:1/20:0)	C56H105NO18	1079.733154	NA	HMDB2010	NA	NA
+7775	Streptococcus mutans inhibitor	QLKTADLPAGRDETTSFVLV	1080.0624	MH2+	Inhouse_peptide	NA	peptide
+C15697	Nostopeptolide A1	C53H80N10O14	1080.5855	NA	KEGG	NA	NA
+7703	pyrokinin TENMO-PK-1	HVVNFTPRL~	1080.6049	antioxidative	Inhouse_peptide	NA	peptide
+FL7AAAGL0058	Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-caffeylglucoside)-5-glucoside;Ipomoea Red anthocyanin 4	C51H53O26	1081.2825	776278-54-7	knapsack	NA	NA
+FL7AACGL0111	Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside	C51H53O26	1081.2825	611232-15-6	knapsack	NA	NA
+FL7AAAGL0049	Pelargonidin 3-[6'''-(3-glucosylcaffeyl)sophoroside]-5-glucoside	C48H57O28	1081.3036	-	knapsack	NA	NA
+FL7AACGL0070	Cyanidin 3-[6''-(4-glucosyl-p-coumaryl)sophoroside]-5-glucoside	C48H57O28	1081.3036	-	knapsack	NA	NA
+FL7AAGGL0048	Delphinidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]	C48H57O28	1081.3036	307548-62-5	knapsack	NA	NA
+FL7AAGGL0064	Delphinidin 3-rutinoside-7-(6-p-coumaroylglucoside)-3'-glucoside	C48H57O28	1081.3036	-	knapsack	NA	NA
+C16170	(7Z,10Z,13Z,16Z)-Docosatetraenoyl-CoA	C43H70N7O17P3S	1081.3762	NA	KEGG	NA	NA
+7326	celiac sprue gluten epitope from gamma-gliadin	PQTQQPQQQ	1081.499	antioxidative	Inhouse_peptide	NA	peptide
+7369	celiac sprue gluten epitope found in hordein	PQPYPQQPQ	1081.503	antioxidative	Inhouse_peptide	NA	peptide
+7413	celiac sprue gluten epitope found in secalin*	PQPQQPYPQ	1081.503	antioxidative	Inhouse_peptide	NA	peptide
+7312	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQQL	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7316	celiac sprue gluten epitope from gamma-gliadin	PFPQQQQPL	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7332	celiac sprue gluten epitope from gamma-gliadin	QLPFPQQPQ	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7333	celiac sprue gluten epitope from gamma-gliadin	QQPQLPFPQ	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7334	celiac sprue gluten epitope from gamma-gliadin	QQPQQPFPL	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7381	celiac sprue gluten epitope found in hordein	QQPFPQQPI	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7396	celiac sprue gluten epitope found in secalin	IQPQQPFPQ	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+7398	celiac sprue gluten epitope found in secalin	PFPQQPQQI	1081.54	antioxidative	Inhouse_peptide	NA	peptide
+2686	NA	GNADGPTLRQWLEGRRPKN	1082.05385	MH2+	Inhouse_peptide	NA	peptide
+7701	ACE inhibitor from human plasma	YLYEIARR	1082.575	antioxidative	Inhouse_peptide	NA	peptide
+C13662	Arg-vasopressin	C46H65N15O12S2	1083.4379	NA	KEGG	NA	NA
+C13663	Transferred to D02129	C46H65N15O12S2	1083.4379	NA	KEGG	NA	NA
+3324	NA	HDMNKVLDL	1083.5251	celiac toxic	Inhouse_peptide	NA	peptide
+7346	celiac sprue gluten epitope found in glutenin	QFPQQQIPV	1083.556	antioxidative	Inhouse_peptide	NA	peptide
+8158	ACE inhibitor from beta-CN (104-120)	PKHKEMPFPPKYPVEPFT	1084.0452	MH2+	Inhouse_peptide	NA	peptide
+HMDB05795	Punicalagin	C48H28O30	1084.066528	NA	HMDB2010	NA	NA
+HMDB05795	Punicalagin	C48H28O30	1084.06653	http://www.hmdb.ca/metabolites/HMDB05795	HMDB	NA	NA
+HMDB05795	Punicalagin	C48H28O30	1084.06653	HMDB05795	PFEM_hmdb_metabocards_official	NA	NA
+C12389	Mithramycin	C52H76O24	1084.4727	NA	KEGG	NA	NA
+7356	celiac sprue gluten epitope found in hordein	PFPQQPFPQ	1084.518	antioxidative	Inhouse_peptide	NA	peptide
+C16645	(13Z,16Z)-Docosadi-13,16-enoyl-CoA	C43H74N7O17P3S	1085.4075	NA	KEGG	NA	NA
+7384	celiac sprue gluten epitope found in hordein	QQPFPQQTI	1085.535	antioxidative	Inhouse_peptide	NA	peptide
+7411	celiac sprue gluten epitope found in secalin	QQTQQPFPL	1085.535	antioxidative	Inhouse_peptide	NA	peptide
+HMDB06563	Hexaglutamyl folate	C44H54N12O21	1086.35266	http://www.hmdb.ca/metabolites/HMDB06563	HMDB	NA	NA
+HMDB06563	Hexaglutamyl folate	C44H54N12O21	1086.35266	HMDB06563	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06563	Hexaglutamyl folate	C44H54N12O21	1086.352661	NA	HMDB2010	NA	NA
+C15721	Triostin A	C50H62N12O12S2	1086.4052	NA	KEGG	NA	NA
+7715	NA	NWGQFHGGW~	1086.4639	antioxidative	Inhouse_peptide	NA	peptide
+3822	NA	GLLRRLRKKIGEIFKKYG	1087.1675	MH2+	Inhouse_peptide	NA	peptide
+C16531	Docosenoyl-CoA	C43H76N7O17P3S	1087.4231	NA	KEGG	NA	NA
+7813	ACE inhibitor from yellowfish sole	MIFPGAGGPEL	1087.5224	antibacterial	Inhouse_peptide	NA	peptide
+7053	Cecropin magainin hybrid, synthetic peptide	KWKLFKKIKFLHSAKKF	1088.16	MH2+	Inhouse_peptide	NA	peptide
+HMDB11673	Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol	C47H82N2O22P2	1088.483398	NA	HMDB2010	NA	NA
+7313	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQTF	1088.513	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04385	&alpha;-D-galactosyl-diphosphoundecaprenol []	C61H102O12P2	1088.684652	NA	metacyc	NA	NA
+C04507	alpha-D-Galactosyl-diphosphoundecaprenol	C61H102O12P2	1088.6847	NA	KEGG	NA	NA
+C04508	alpha-D-Glucosylpoly(glycerol phosphate)	C3H9O6P	1088.6847	NA	KEGG	NA	NA
+C16528	Docosanoyl-CoA	C43H78N7O17P3S	1089.4388	NA	KEGG	NA	NA
+3108	adrenocorticotropin hormone fr,:4-11	MEHFRWGK	1089.5034	celiac toxic	Inhouse_peptide	NA	peptide
+7465	coeliac toxic peptide	AGQQQPFPPQQPYPQPQPF	1089.5135	MH2+	Inhouse_peptide	NA	peptide
+8243	Antioxidative peptide	LVEKGDVAFI	1089.5929	NA  ;SYN:(-)-Serine; (S)-2-Amino-3-hydroxypropanoate; (S)-2-Amino-3-hydroxypropanoic acid; (S)-2-amino-3-hydroxy-Propanoate; (S)-2-amino-3-hydroxy-Propanoic acid; (S)-Serine; (S)-a-Amino-b-hydroxypropionate; (S)-a-Amino-b-hydroxypropionic acid; (S)-alpha-Amino-beta-hydroxypropionate; (S)-alpha-Amino-beta-hydroxypropionic acid; (S)-b-Amino-3-hydroxypropionate; (S)-b-Amino-3-hydroxypropionic acid; 2-Amino-3-hydroxypropanoate; 2-Amino-3-hydroxypropanoic acid; 3-hydroxy-L-Alanine; L-(-)-Serine; L-3-Hydroxy-2-aminopropionate; L-3-Hydroxy-2-aminopropionic acid; L-3-Hydroxy-alanine; L-Ser; b-Hydroxy-L-alanine; beta-Hydroxy-L-alanine; beta-Hydroxyalanine; (S)-beta-Amino-3-hydroxypropionate; (S)-beta-Amino-3-hydroxypropionic acid; SerineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+7390	celiac sprue gluten epitope found in hordein	QQPQQPLPR	1090.573	antioxidative	Inhouse_peptide	NA	peptide
+C08970	Primulasaponin	C54H90O22	1090.5924	NA	KEGG	NA	NA
+HMDB04889	Ganglioside GA2 (d18:1/9Z-18:1)	C56H102N2O18	1090.712769	NA	HMDB2010	NA	NA
+HMDB04889	Ganglioside GA2 (d18:1/9Z-18:1)	C56H102N2O18	1090.71277	http://www.hmdb.ca/metabolites/HMDB04889	HMDB	NA	NA
+HMDB04889	Ganglioside GA2 (d18:1/9Z-18:1)	C56H102N2O18	1090.71277	HMDB04889	PFEM_hmdb_metabocards_official	NA	NA
+FL6DAGGS0004	Leucodelphinidin 4-O-[2,4-bisgalloyl-6-(3-galloylgalloyl)-beta-D-glucopyranoside]	C49H40O29	1092.1655	90538-78-6	knapsack	NA	NA
+C12388	Premithramycin B	C53H72O24	1092.4414	NA	KEGG	NA	NA
+2838	oryzatensin - smooth musles contracting peptide	GYPMYPLPR	1092.5284	NA	Inhouse_peptide	NA	peptide
+2839	oryzatensin	GYPMYPLPR	1092.5284	antibacterial	Inhouse_peptide	NA	peptide
+2840	oryzatensin	GYPMYPLPR	1092.5284	NA	Inhouse_peptide	NA	peptide
+HMDB04891	Ganglioside GA2 (d18:1/18:0)	C56H104N2O18	1092.72839	http://www.hmdb.ca/metabolites/HMDB04891	HMDB	NA	NA
+HMDB04891	Ganglioside GA2 (d18:1/18:0)	C56H104N2O18	1092.72839	HMDB04891	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04891	Ganglioside GA2 (d18:1/18:0)	C56H104N2O18	1092.728394	NA	HMDB2010	NA	NA
+MetaCyc04386	dolichol-group [Dolichol;]	C80H132	1093.032904	NA	metacyc	NA	NA
+C08926	Avenacin A-1	C55H83NO21	1093.5458	NA	KEGG	NA	NA
+2743	activating kinases and phosphatases peptide	EPFYVNDPD	1094.4417	antibacterial	Inhouse_peptide	NA	peptide
+FL7AAAGL0059	Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-caffeylglucoside)-5-glucoside	C52H55O26	1095.2981	448963-05-1	knapsack	NA	NA
+FL7AAAGL0063	Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside	C52H55O26	1095.2981	448963-07-3	knapsack	NA	NA
+FL7AACGL0090	Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) 6''-O-(p-coumaroyl) glucoside] 5-O-glucoside	C52H55O26	1095.2981	-	knapsack	NA	NA
+FL7AAHGL0022	Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside]	C49H59O28	1095.3192	232617-18-4	knapsack	NA	NA
+HMDB03947	8Z,11Z,14Z-eicosatrienoyl-CoA	C44H72N7O17P3S	1095.391846	NA	HMDB2010	NA	NA
+HMDB03947	8Z,11Z,14Z-eicosatrienoyl-CoA	C44H72N7O17P3S	1095.39185	http://www.hmdb.ca/metabolites/HMDB03947	HMDB	NA	NA
+HMDB03947	8Z,11Z,14Z-eicosatrienoyl-CoA	C44H72N7O17P3S	1095.39185	HMDB03947	PFEM_hmdb_metabocards_official	NA	NA
+FL5FAAGS0138	Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside;3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C48H56O29	1096.2907	220342-45-0	knapsack	NA	NA
+7314	celiac sprue gluten epitope from gamma-gliadin	PFPQQPQQQ	1096.514	antioxidative	Inhouse_peptide	NA	peptide
+7322	celiac sprue gluten epitope from gamma-gliadin	PQQQFPQPQ	1096.514	antioxidative	Inhouse_peptide	NA	peptide
+7327	celiac sprue gluten epitope from gamma-gliadin	PQQQQPFPQ	1096.514	antioxidative	Inhouse_peptide	NA	peptide
+7328	celiac sprue gluten epitope from gamma-gliadin	QFPQPQQPQ	1096.514	antioxidative	Inhouse_peptide	NA	peptide
+C13450	Trichomycin A	C58H84N2O18	1096.5719	NA	KEGG	NA	NA
+C13451	Trichomycin B	C58H84N2O18	1096.5719	NA	KEGG	NA	NA
+C13452	Transferred to D01959	C58H84N2O18	1096.5719	NA	KEGG	NA	NA
+HMDB04842	Ganglioside GM3 (d18:1/12:0)	C53H96N2O21	1096.65051	http://www.hmdb.ca/metabolites/HMDB04842	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04842	Ganglioside GM3 (d18:1/12:0)	C53H96N2O21	1096.65051	http://www.hmdb.ca/metabolites/HMDB04842	HMDB	NA	NA
+HMDB04842	Ganglioside GM3 (d18:1/12:0)	C53H96N2O21	1096.65051	http://www.hmdb.ca/metabolites/HMDB04842	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04842	Ganglioside GM3 (d18:1/12:0)	C53H96N2O21	1096.65051	HMDB04842	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04842	Ganglioside GM3 (d18:1/12:0)	C53H96N2O21	1096.650513	NA	HMDB2010	NA	NA
+FL7AACGL0073	Cyanidin 3-(6'',6'''-dicaffeylsophoroside)-5-glucoside	C51H53O27	1097.2774	170717-21-2<BR>36570-76-0	knapsack	NA	NA
+FL7AACGL0081	Gentiocyanin B;Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside)	C51H53O27	1097.2774	170663-60-2	knapsack	NA	NA
+FL7AAGGL0068	Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside)	C51H53O27	1097.2774	198645-14-6	knapsack	NA	NA
+FL7AACGL0071	Cyanidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside	C48H57O29	1097.2985	155961-88-9	knapsack	NA	NA
+FL7AAGGL0059	Preternatin C4	C48H57O29	1097.2985	215378-83-9	knapsack	NA	NA
+7379	celiac sprue gluten epitope found in hordein	QQPFPPQQE	1097.498	antioxidative	Inhouse_peptide	NA	peptide
+7466	coeliac toxic peptide	LGQQQAFPPQQPYPQPQPF	1097.5295	MH2+	Inhouse_peptide	NA	peptide
+7308	celiac sprue gluten epitope from alpha-gliadin	QYPQPQQPI	1097.535	antioxidative	Inhouse_peptide	NA	peptide
+2841	orphanin FQ/nociceptin peptide [FQ/N (1-11)]	FGGFTGARKSA	1097.547	antibacterial	Inhouse_peptide	NA	peptide
+3395	NA	AMKPWIQPK	1097.5903	celiac toxic	Inhouse_peptide	NA	peptide
+7497	ACE inhibitor (from bovine as2-CN)	AMKPWIQPK	1097.5904	antioxidative	Inhouse_peptide	NA	peptide
+3242	bombinin-like peptide BLP-2	GIGSAILSAGKSALKGGLAGHFAN~	1097.6	MH2+	Inhouse_peptide	NA	peptide
+5422	drosocin	GKPRPYSPRPTSHPRPIRV	1098.60755	MH2+	Inhouse_peptide	NA	peptide
+HMDB11913	Ganglioside GM3 (d18:0/12:0)	C53H98N2O21	1098.66626	NA	HMDB2010	NA	NA
+8341	Kappacin fragment	AVESTVATLEDSPEVIESPPE	1099.01445	MH2+	Inhouse_peptide	NA	peptide
+HMDB06260	Trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA	C45H64N7O17P3S	1099.329224	NA	HMDB2010	NA	NA
+2880	opioid fragment of b-lipotropin beta-neoendorph	YGGFLRKYP	1099.567	antibacterial	Inhouse_peptide	NA	peptide
+7779	Streptococcus mutans inhibitor	TFFRLFNR	1099.5799	antioxidative	Inhouse_peptide	NA	peptide
+7792	18A peptide - lipids binding peptide	DWLKAFYDKVAEKLKEAF	1100.0694	MH2+	Inhouse_peptide	NA	peptide
+C15722	Quinomycin A	C51H64N12O12S2	1100.4208	NA	KEGG	NA	NA
+7323	celiac sprue gluten epitope from gamma-gliadin	PQQQFPQTQ	1100.509	antioxidative	Inhouse_peptide	NA	peptide
+7329	celiac sprue gluten epitope from gamma-gliadin	QFPQTQQPQ	1100.509	antioxidative	Inhouse_peptide	NA	peptide
+7339	celiac sprue gluten epitope from gamma-gliadin	QQTFPQQPQ	1100.509	antioxidative	Inhouse_peptide	NA	peptide
+7342	celiac sprue gluten epitope from gamma-gliadin	QTQQPQQPF	1100.509	antioxidative	Inhouse_peptide	NA	peptide
+7358	celiac sprue gluten epitope found in hordein	PFPQQPQPY	1100.513	antioxidative	Inhouse_peptide	NA	peptide
+7368	celiac sprue gluten epitope found in hordein	PQPYPQQPF	1100.513	antioxidative	Inhouse_peptide	NA	peptide
+7393	celiac sprue gluten epitope found in hordein*	PFPQQPYPQ	1100.513	antioxidative	Inhouse_peptide	NA	peptide
+7402	celiac sprue gluten epitope found in secalin	PYPQQPFPQ	1100.513	antioxidative	Inhouse_peptide	NA	peptide
+7331	celiac sprue gluten epitope from gamma-gliadin	QLPFPQQPF	1100.55	antioxidative	Inhouse_peptide	NA	peptide
+C11712	Teprotide	C53H76N14O12	1100.5767	NA	KEGG	NA	NA
+2971	maculatin 1,1, from Litoria genimaculata	GLFGVLAKVAAHVVPAIAEHFG	1101.10595	MH2+	Inhouse_peptide	NA	peptide
+3579	NA	SIQSQPQAFP	1101.531	ACE inhibitor	Inhouse_peptide	NA	peptide
+7067	coeliac toxic peptide	PYPQPQLPY	1101.534	antioxidative	Inhouse_peptide	NA	peptide
+2633	synthetic fr, of human beta-CN (44-52) ACE inhibitor	FQPQPLIYP	1101.571	NA	Inhouse_peptide	NA	peptide
+8260	f(165-181) of ovine alpha s2-casein	LKKISQYYQKFAWPQYL	1101.5825	MH2+	Inhouse_peptide	NA	peptide
+2732	regulating the frequency of heart muscles contraction peptide	GWFGGADWHA	1102.4479	antibacterial	Inhouse_peptide	NA	peptide
+HMDB10154	PIP3(18:1(11Z)/18:1(11Z))	C45H86O22P4	1102.456177	NA	HMDB2010	NA	NA
+HMDB10155	PIP3(18:1(11Z)/18:1(9Z))	C45H86O22P4	1102.456177	NA	HMDB2010	NA	NA
+HMDB10158	PIP3(18:1(9Z)/18:1(11Z))	C45H86O22P4	1102.456177	NA	HMDB2010	NA	NA
+HMDB10159	PIP3(18:1(9Z)/18:1(9Z))	C45H86O22P4	1102.456177	NA	HMDB2010	NA	NA
+7347	celiac sprue gluten epitope found in glutenin	QQPIQQQPH	1102.536	antioxidative	Inhouse_peptide	NA	peptide
+C16374	(2E,6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahepta-2,6,9,12,15,18,21-enoyl-	C45H68N7O17P3S	1103.3605	NA	KEGG	NA	NA
+7505	ACE inhibitor	SKVYPFPGPI	1103.586	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04387	3-(acyloxy)acyl group of bacterial toxin []	C60H114N1O14P1	1103.797694	NA	metacyc	NA	NA
+HMDB10152	PIP3(18:0/18:1(11Z))	C45H88O22P4	1104.471802	NA	HMDB2010	NA	NA
+HMDB10153	PIP3(18:0/18:1(9Z))	C45H88O22P4	1104.471802	NA	HMDB2010	NA	NA
+3559	heparin-binding peptide	APRANVAWCT	1104.5009	ACE inhibitor	Inhouse_peptide	NA	peptide
+3576	heparin-binding peptide	APAANVRWCT	1104.5009	ACE inhibitor	Inhouse_peptide	NA	peptide
+C08934	Camellidin II	C53H84O24	1104.5353	NA	KEGG	NA	NA
+7309	celiac sprue gluten epitope from gamma-gliadin	IFPQPQQTF	1104.545	antioxidative	Inhouse_peptide	NA	peptide
+C16168	(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA	C45H70N7O17P3S	1105.3762	NA	KEGG	NA	NA
+C16387	(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA	C45H70N7O17P3S	1105.3762	NA	KEGG	NA	NA
+HMDB06243	tetracosahexaenoyl coenzyme A	C45H70N7O17P3S	1105.37622	http://www.hmdb.ca/metabolites/HMDB06243	HMDB	NA	NA
+HMDB06243	tetracosahexaenoyl coenzyme A	C45H70N7O17P3S	1105.37622	HMDB06243	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06243	Tetracosahexaenoyl CoA	C45H70N7O17P3S	1105.376221	NA	HMDB2010	NA	NA
+C16167	(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA	C45H72N7O17P3S	1107.3918	NA	KEGG	NA	NA
+C16172	(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA	C45H72N7O17P3S	1107.3918	NA	KEGG	NA	NA
+2745	activating kinases and phosphatases peptide	EPFYQNVPD	1107.4728	antibacterial	Inhouse_peptide	NA	peptide
+3135	ester transferases inhibitor	WRMWYVPA	1107.5194	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.764526	NA	HMDB2010	NA	NA
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	http://www.hmdb.ca/metabolites/HMDB04882	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	http://www.hmdb.ca/metabolites/HMDB04882	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	http://www.hmdb.ca/metabolites/HMDB04882	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	http://www.hmdb.ca/metabolites/HMDB04882	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	http://www.hmdb.ca/metabolites/HMDB04882	HMDB	NA	NA
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	http://www.hmdb.ca/metabolites/HMDB04882	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04882	Trihexosylceramide (d18:1/22:0)	C58H109NO18	1107.76453	HMDB04882	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01543	Diguanosine hexaphosphate	C20H31N10O30P7	1107.93701	http://www.hmdb.ca/metabolites/HMDB01543	HMDB	NA	NA
+HMDB01543	Diguanosine hexaphosphate	C20H31N10O30P7	1107.93701	HMDB01543	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01543	Diguanosine hexaphosphate	C20H31N10O30P7	1107.937134	NA	HMDB2010	NA	NA
+2744	activating kinases and phosphatases peptide	EPFYENVPD	1108.4568	antibacterial	Inhouse_peptide	NA	peptide
+C06690	Candicidin D	C59H84N2O18	1108.5719	NA	KEGG	NA	NA
+MetaCyc04388	dolichol []	C80H132O1	1109.027819	NA	metacyc	NA	NA
+FL7AAAGL0044	Pelargonidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside	C53H57O26	1109.3138	175738-02-0	knapsack	NA	NA
+FL7AAAGL0055	Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside	C53H57O26	1109.3138	185027-89-8	knapsack	NA	NA
+FL7AAAGL0065	Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside	C53H57O26	1109.3138	448963-09-5	knapsack	NA	NA
+FL7AAIGL0036	Malvidin 3-O-[6-O-(4-O-(4-O-(6-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]	C53H57O26	1109.3138	249514-65-6	knapsack	NA	NA
+C05073	Coumermycin A1	C55H59N5O20	1109.3753	NA	KEGG	NA	NA
+C05075	GRI22222X	C55H59N5O20	1109.3753	NA	KEGG	NA	NA
+HMDB06516	tetracosatetraenoyl coenzyme A	C45H74N7O17P3S	1109.40747	http://www.hmdb.ca/metabolites/HMDB06516	HMDB	NA	NA
+HMDB06516	tetracosatetraenoyl coenzyme A	C45H74N7O17P3S	1109.40747	HMDB06516	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06516	Tetracosatetraenoyl CoA	C45H74N7O17P3S	1109.407471	NA	HMDB2010	NA	NA
+C16171	(9Z,12Z,15Z,18Z)-Tetracosatetraenoyl-CoA	C45H74N7O17P3S	1109.4075	NA	KEGG	NA	NA
+7454	coeliac toxic peptide	LQQVQQGPQQQPFPQPQPF	1109.5455	MH2+	Inhouse_peptide	NA	peptide
+7708	pyrokinin TENMO-PK-3	HLSPFSPRLG	1109.584	antioxidative	Inhouse_peptide	NA	peptide
+7711	NA	GWNNLHEGW~	1110.4858	antioxidative	Inhouse_peptide	NA	peptide
+7804	ACE inhibitor from as2-casein	ALNEINQFY	1110.5218	ACE inhibitor	Inhouse_peptide	NA	peptide
+3987	NA	LGQQQPFPPQQPYPQPQPF	1110.537	MH2+	Inhouse_peptide	NA	peptide
+2917	neuropeptide from eyestalk of Macrobrachium rosenb	SDRNFLRFG	1110.5448	antibacterial	Inhouse_peptide	NA	peptide
+HMDB01036	Angiotensin III	C52H78N12O15	1110.57092	http://www.hmdb.ca/metabolites/HMDB01036	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01036	Angiotensin III	C52H78N12O15	1110.57092	http://www.hmdb.ca/metabolites/HMDB01036	HMDB	NA	NA
+HMDB01036	Angiotensin III	C52H78N12O15	1110.57092	http://www.hmdb.ca/metabolites/HMDB01036	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01036	Angiotensin III	C52H78N12O15	1110.57092	HMDB01036	PFEM_hmdb_metabocards_official	NA	NA
+C16762	Ciguatoxin I	C60H86O19	1110.5763	NA	KEGG	NA	NA
+C16791	Halichondrin B	C60H86O19	1110.5763	NA	KEGG	NA	NA
+C06684	Valinomycin	C54H90N6O18	1110.6312	NA	KEGG	NA	NA
+FL7AACGL0074	Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside	C52H55O27	1111.293	145815-06-1	knapsack	NA	NA
+FL7AACGL0072	Cyanidin 3-[6''-(4-glucosylferulyl)-sophoroside]-5-glucoside	C49H59O29	1111.3142	107500-83-4	knapsack	NA	NA
+FL7AADGL0024	Peonidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside	C49H59O29	1111.3142	135618-32-5	knapsack	NA	NA
+3123	a1-chain of collagen fr,:431-438	PAGKNGETGPQG	1111.5089	celiac toxic	Inhouse_peptide	NA	peptide
+C16847	Didemnin B	C57H89N7O15	1111.6417	NA	KEGG	NA	NA
+3684	NA	KKFHIRKR	1111.694	ACE inhibitor	Inhouse_peptide	NA	peptide
+C15763	SW 163C	C52H60N10O14S2	1112.3732	NA	KEGG	NA	NA
+2735	regulating the frequency of heart muscles contraction peptide	IWGCSGKLIC	1112.499	antibacterial	Inhouse_peptide	NA	peptide
+7403	celiac sprue gluten epitope found in secalin	PYPQQPQQQ	1112.509	antioxidative	Inhouse_peptide	NA	peptide
+7371	celiac sprue gluten epitope found in hordein	PQQLPQQQF	1112.546	antioxidative	Inhouse_peptide	NA	peptide
+7378	celiac sprue gluten epitope found in hordein	QLPQQQFPQ	1112.546	antioxidative	Inhouse_peptide	NA	peptide
+7404	celiac sprue gluten epitope found in secalin	QFPQQPQQI	1112.546	antioxidative	Inhouse_peptide	NA	peptide
+C08641	Gentiodelphin	C51H53O28	1113.2723	NA	KEGG	NA	NA
+FL7AAGGL0001	Gentiodelphin;Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside)	C51H53O28	1113.2723	84331-34-0	knapsack	NA	NA
+3124	a1-chain of collagen fr,:430-438	GPAGKDGEAGAQG	1113.4889	celiac toxic	Inhouse_peptide	NA	peptide
+2844	orphanin FQ/nociceptin analog [FQ/N (1-11)]	YGGFTGARKSA	1113.542	antibacterial	Inhouse_peptide	NA	peptide
+C16532	Tetracosenoyl-CoA	C45H80N7O17P3S	1115.4544	NA	KEGG	NA	NA
+7311	celiac sprue gluten epitope from gamma-gliadin	PFPQPQQQF	1115.524	antioxidative	Inhouse_peptide	NA	peptide
+7377	celiac sprue gluten epitope found in hordein	QFPQPQQPF	1115.524	antioxidative	Inhouse_peptide	NA	peptide
+7380	celiac sprue gluten epitope found in hordein	QQPFPQQPF	1115.524	antioxidative	Inhouse_peptide	NA	peptide
+7516	ACE inhibitor from myosin light chain	RMLGQTPWK	1115.5764	antioxidative	Inhouse_peptide	NA	peptide
+HMDB12257	Mannosyl-inositol-phosphorylceramide	C56H110NO18P	1115.746094	NA	HMDB2010	NA	NA
+7370	celiac sprue gluten epitope found in hordein	PQPYPQQPY	1116.508	antioxidative	Inhouse_peptide	NA	peptide
+7375	celiac sprue gluten epitope found in hordein	PYPQQPQPY	1116.508	antioxidative	Inhouse_peptide	NA	peptide
+HMDB06526	tetracosanoyl-CoA  (n-C24:0CoA)	C45H82N7O17P3S	1117.47009	http://www.hmdb.ca/metabolites/HMDB06526	HMDB	NA	NA
+HMDB06526	tetracosanoyl-CoA  (n-C24:0CoA)	C45H82N7O17P3S	1117.47009	HMDB06526	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06526	Tetracosanoyl-CoA	C45H82N7O17P3S	1117.470093	NA	HMDB2010	NA	NA
+C16529	Tetracosanoyl-CoA	C45H82N7O17P3S	1117.4701	NA	KEGG	NA	NA
+46	Hemoglobin	VLSAADKGNVKAAWGKVGGHAAE	1117.5915	MH2+	Inhouse_peptide	NA	peptide
+7714	NA	AWQSLQSGWG	1118.501	antioxidative	Inhouse_peptide	NA	peptide
+C16376	(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexa-6,9,12,15,18,21-enoyl-CoA	C45H68N7O18P3S	1119.3554	NA	KEGG	NA	NA
+C10235	Mallotusinic acid	C48H32O32	1120.0877	NA	KEGG	NA	NA
+HMDB04892	Ganglioside GA2 (d18:1/20:0)	C58H108N2O18	1120.759766	NA	HMDB2010	NA	NA
+HMDB04892	Ganglioside GA2 (d18:1/20:0)	C58H108N2O18	1120.75977	http://www.hmdb.ca/metabolites/HMDB04892	HMDB	NA	NA
+HMDB04892	Ganglioside GA2 (d18:1/20:0)	C58H108N2O18	1120.75977	HMDB04892	PFEM_hmdb_metabocards_official	NA	NA
+C16375	(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-	C45H70N7O18P3S	1121.3711	NA	KEGG	NA	NA
+C16389	(6Z,9Z,12Z,15Z,18Z)-3-Oxotetracosapenta-6,9,12,15,18-enoyl-CoA	C45H70N7O18P3S	1121.3711	NA	KEGG	NA	NA
+3982	fragment 222-230 of bovine lactoferrin	ADRDQYELL	1121.5228	ACE inhibitor	Inhouse_peptide	NA	peptide
+7344	celiac sprue gluten epitope found in glutenin	PIQQQPHQF	1121.546	antioxidative	Inhouse_peptide	NA	peptide
+C04804	UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-	C38H60N8O27P2	1122.3043	NA	KEGG	NA	NA
+MetaCyc04389	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine [UDP-N-acetylmuramoyl-L-alanyl-D-&gamma;-glutamyl-meso-2,6-diaminopimelate-D-alanine;UDP-MurNAc-tetrapeptide;uridine 5'-pyrophosphoryl N-acetylmuramyl-tetrapeptide;]	C38H60N8O27P2	1122.304312	NA	metacyc	NA	NA
+C13842	alpha-Semegma mycolic acid	C77H150O3	1123.1585	NA	KEGG	NA	NA
+C16388	(6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA	C45H72N7O18P3S	1123.3867	NA	KEGG	NA	NA
+7374	celiac sprue gluten epitope found in hordein	PWPQQPFPQ	1123.529	antioxidative	Inhouse_peptide	NA	peptide
+7394	celiac sprue gluten epitope found in hordein*	PQPQQPFPW	1123.529	antioxidative	Inhouse_peptide	NA	peptide
+2916	neuropeptide from eyestalk of Macrobrachium rosenb	TNRNFLRFG	1123.5758	antibacterial	Inhouse_peptide	NA	peptide
+3118	adrenocoritcotropin hormone fr,:4-10	YMEHFRWG	1124.4724	celiac toxic	Inhouse_peptide	NA	peptide
+7341	celiac sprue gluten epitope from gamma-gliadin	QRPQQPFPQ	1124.557	antioxidative	Inhouse_peptide	NA	peptide
+7389	celiac sprue gluten epitope found in hordein	QQPQQPFPR	1124.557	antioxidative	Inhouse_peptide	NA	peptide
+7407	celiac sprue gluten epitope found in secalin	QQPFPQRPQ	1124.557	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11928	Ganglioside GM3 (d18:1/14:0)	C55H100N2O21	1124.681885	NA	HMDB2010	NA	NA
+FL7AACGL0061	Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside	C53H57O27	1125.3087	163812-24-6	knapsack	NA	NA
+FL7AACGL0075	Cyanidin 3-(6''-p-coumaryl-2''-sinapylsophoroside)-5-glucoside	C53H57O27	1125.3087	117894-45-8<BR>119722-79-1<BR>110219-77-7	knapsack	NA	NA
+7449	coeliac toxic peptide	FPQHCNYQQQPQTFPQPF	1125.48545	MH2+	Inhouse_peptide	NA	peptide
+3571	NA	SGIQSEPKAIP	1125.588	ACE inhibitor	Inhouse_peptide	NA	peptide
+C15764	UK 63598	C53H62N10O14S2	1126.3888	NA	KEGG	NA	NA
+HMDB10156	PIP3(18:1(11Z)/20:3(5Z,8Z,11Z))	C47H86O22P4	1126.456177	NA	HMDB2010	NA	NA
+HMDB10157	PIP3(18:1(11Z)/20:3(8Z,11Z,14Z))	C47H86O22P4	1126.456177	NA	HMDB2010	NA	NA
+HMDB10160	PIP3(18:1(9Z)/20:3(5Z,8Z,11Z))	C47H86O22P4	1126.456177	NA	HMDB2010	NA	NA
+HMDB10161	PIP3(18:1(9Z)/20:3(8Z,11Z,14Z))	C47H86O22P4	1126.456177	NA	HMDB2010	NA	NA
+3241	bombinin-like peptide BLP-2	GIGSAILSAGKSALKGGLAGHFANG	1126.6024	MH2+	Inhouse_peptide	NA	peptide
+HMDB11914	Ganglioside GM3 (d18:0/14:0)	C55H102N2O21	1126.69751	NA	HMDB2010	NA	NA
+7336	celiac sprue gluten epitope from gamma-gliadin	QQPQQQFPQ	1127.52	antioxidative	Inhouse_peptide	NA	peptide
+7337	celiac sprue gluten epitope from gamma-gliadin	QQQQFPQPQ	1127.52	antioxidative	Inhouse_peptide	NA	peptide
+7410	celiac sprue gluten epitope found in secalin	QQQFPQQPQ	1127.52	antioxidative	Inhouse_peptide	NA	peptide
+7458	coeliac toxic peptide	QSNLPQPAQQPFQPQVPQQP	1128.05395	MH2+	Inhouse_peptide	NA	peptide
+HMDB10162	PIP3(18:2(9Z,12Z)/20:1(11Z))	C47H88O22P4	1128.471802	NA	HMDB2010	NA	NA
+2741	regulating the frequency of heart muscles contraction peptide	KLDAPTNKWG	1128.5778	antibacterial	Inhouse_peptide	NA	peptide
+C01289	N-Acetyl-D-glucosaminyldiphosphoundecaprenol	C63H105NO12P2	1129.7112	NA	KEGG	NA	NA
+C01290	beta-D-Galactosyl-1,4-beta-D-glucosylceramide	C31H56NO13R	1129.7112	NA	KEGG	NA	NA
+MetaCyc04390	undecaprenyl-N-acetyl-&alpha;-D-glucosaminyl-pyrophosphate [Undecaprenyl diphospho N-acetyl-glucosamine;N-acetyl-glucosaminyl-pyrophosphorylundecaprenol;GlcNAc-pyrophosphorylundecaprenol;GlcNAc-PP-lipid;C55-PP-GlcNAc;lipid I;undecaprenyl-N-acetyl-D-glucosaminyl-pyrophosphate;]	C63H105N1O12P2	1129.711201	NA	metacyc	NA	NA
+MetaCyc04391	prenyl-P-P-GlcNAc [N-acetyl-D-glucosaminyldiphosphoundecaprenol;N-[4,5-dihydroxy-2-[hydroxy-(hydroxy-(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphinoyl)oxy-phosphinoyl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide;N-acetyl-D-glucosaminyldiphospho-undecaprenol;]	C63H105N1O12P2	1129.711201	NA	metacyc	NA	NA
+C17025	Holothurin	C50H82O26S	1130.4815	NA	KEGG	NA	NA
+C17027	L-Pyrrolysyl-tRNA(Pyl)	C22H36N3O12PR2	1130.4815	NA	KEGG	NA	NA
+7372	celiac sprue gluten epitope found in hordein	PQQQFPQQM	1130.5024	antioxidative	Inhouse_peptide	NA	peptide
+C08921	Aescin	C55H86O24	1130.5509	NA	KEGG	NA	NA
+7383	celiac sprue gluten epitope found in hordein	QQPFPQQPY	1131.519	antioxidative	Inhouse_peptide	NA	peptide
+7409	celiac sprue gluten epitope found in secalin	QQPYPQQPF	1131.519	antioxidative	Inhouse_peptide	NA	peptide
+C16097	Neurokinin A	C50H80N14O14S	1132.5699	NA	KEGG	NA	NA
+7391	celiac sprue gluten epitope found in hordein	QQQQLPQQH	1133.542	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	http://www.hmdb.ca/metabolites/HMDB04883	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	http://www.hmdb.ca/metabolites/HMDB04883	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	http://www.hmdb.ca/metabolites/HMDB04883	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	http://www.hmdb.ca/metabolites/HMDB04883	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	http://www.hmdb.ca/metabolites/HMDB04883	HMDB	NA	NA
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	http://www.hmdb.ca/metabolites/HMDB04883	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.78015	HMDB04883	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04883	Trihexosylceramide (d18:1/24:1(15Z))	C60H111NO18	1133.780151	NA	HMDB2010	NA	NA
+MetaCyc04392	&beta;-cyclodextrin [cycloheptaamylose;cycloheptaglucan;cycloheptaglucosan;cyclomaltoheptaose;kleptose;kleptose B;rhodocap N;ringdex B;ringdex BL;cycloheptapentylose;betadex;]	C42H70O35	1134.369764	7585-39-9	metacyc	NA	NA
+C13183	Betadex	C42H70O35	1134.3698	NA	KEGG	NA	NA
+C13184	Transferred to D01719	C42H70O35	1134.3698	NA	KEGG	NA	NA
+C13185	Transferred to D01720	C42H70O35	1134.3698	NA	KEGG	NA	NA
+C13186	Transferred to D01721	C42H70O35	1134.3698	NA	KEGG	NA	NA
+C13187	Transferred to D01722	C42H70O35	1134.3698	NA	KEGG	NA	NA
+C13188	Transferred to D02402	C42H70O35	1134.3698	NA	KEGG	NA	NA
+7048	Golden oyster mushroom, antiviral protein Y3	VYINKLTPPCGTMYYACEAV	1134.50265	MH2+	Inhouse_peptide	NA	peptide
+C13907	OM-174	C52H100N2O20P2	1134.6345	NA	KEGG	NA	NA
+MetaCyc04393	3-oxo-&Delta;4,6-cholyl-CoA []	C45H68N7O19P3S1	1135.350353	NA	metacyc	NA	NA
+7699	ACE inhibitor from yeast GADPH	KKIATYQER	1135.62	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.795776	NA	HMDB2010	NA	NA
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	http://www.hmdb.ca/metabolites/HMDB04886	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	http://www.hmdb.ca/metabolites/HMDB04886	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	http://www.hmdb.ca/metabolites/HMDB04886	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	http://www.hmdb.ca/metabolites/HMDB04886	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	http://www.hmdb.ca/metabolites/HMDB04886	HMDB	NA	NA
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	http://www.hmdb.ca/metabolites/HMDB04886	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04886	Trihexosylceramide (d18:1/24:0)	C60H113NO18	1135.79578	HMDB04886	PFEM_hmdb_metabocards_official	NA	NA
+7345	celiac sprue gluten epitope found in glutenin	PQQHQQFPQ	1136.52	antioxidative	Inhouse_peptide	NA	peptide
+7387	celiac sprue gluten epitope found in hordein	QQPQHQFPQ	1136.52	antioxidative	Inhouse_peptide	NA	peptide
+5380	Brevinin-1EB	VIPFVASVAAEMQHVYCAASRKC	1136.5907	MH2+	Inhouse_peptide	NA	peptide
+FL7AACGL0089	Cyanidin 3-O-[2''-O-(xylosyl) 6''-O-(p-O-(glucosyl) p-coumaroyl) glucoside] 5-O-[6'''-O-(malonyl) glucoside]	C50H57O30	1137.2934	-	knapsack	NA	NA
+MetaCyc04394	3-oxo-&Delta;4-deoxycholyl-CoA []	C45H70N7O19P3S1	1137.366003	NA	metacyc	NA	NA
+7408	celiac sprue gluten epitope found in secalin	QQPQRPEQQ	1137.537	antioxidative	Inhouse_peptide	NA	peptide
+3652	NA	KKWHKRKK	1137.708	ACE inhibitor	Inhouse_peptide	NA	peptide
+7704	pyrokinin TENMO-PK-1	HVVNFTPRLG	1138.6099	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04395	3-oxo-deoxycholyl-CoA []	C45H72N7O19P3S1	1139.381653	NA	metacyc	NA	NA
+7483	ACE inhibitor (fr, of as1-casein, 1-9)	RPKHPIKHQ	1139.651	antioxidative	Inhouse_peptide	NA	peptide
+3485	ACE inhibitors derived from yeast GADPH	PANLPWGSSNV	1140.5428	ACE inhibitor	Inhouse_peptide	NA	peptide
+C11218	Gramicidin S	C60H92N12O10	1140.7059	NA	KEGG	NA	NA
+C12052	Thiocillin	C49H51N13O8S6	1141.2308	NA	KEGG	NA	NA
+FL7AAGGL0066	Delphinidin 3-(diferuloyl)sophoroside-5-glucoside	C53H57O28	1141.3036	379232-06-1	knapsack	NA	NA
+C05337	Chenodeoxycholoyl-CoA	C45H74N7O19P3S	1141.3973	NA	KEGG	NA	NA
+C15560	Deoxycholoyl-CoA	C45H74N7O19P3S	1141.3973	NA	KEGG	NA	NA
+C17689	Ursodeoxycholoyl-CoA	C45H74N7O19P3S	1141.3973	NA	KEGG	NA	NA
+MetaCyc04396	deoxycholyl-CoA [deoxycholoyl-CoA;]	C45H74N7O19P3S1	1141.397303	NA	metacyc	NA	NA
+HMDB06292	Chenodeoxycholoyl-CoA	C45H74N7O19P3S	1141.397339	NA	HMDB2010	NA	NA
+HMDB06897	Chenodeoxyglycocholoyl-CoA	C45H74N7O19P3S	1141.397339	NA	HMDB2010	NA	NA
+HMDB06292	Chenodeoxycholoyl-CoA	C45H74N7O19P3S	1141.39734	http://www.hmdb.ca/metabolites/HMDB06292	HMDB	NA	NA
+HMDB06897	Chenodeoxyglycocholoyl-CoA	C45H74N7O19P3S	1141.39734	http://www.hmdb.ca/metabolites/HMDB06897	HMDB	NA	NA
+HMDB06292	Chenodeoxycholoyl-CoA	C45H74N7O19P3S	1141.39734	HMDB06292	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06897	Chenodeoxyglycocholoyl-CoA	C45H74N7O19P3S	1141.39734	HMDB06897	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06459	Hexacosanoyl-CoA 	C47H82N7O17P3S	1141.47009	http://www.hmdb.ca/metabolites/HMDB06459	HMDB	NA	NA
+HMDB06459	Hexacosanoyl-CoA 	C47H82N7O17P3S	1141.47009	HMDB06459	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06459	Hexacosanoyl-CoA	C47H82N7O17P3S	1141.470093	NA	HMDB2010	NA	NA
+C12051	Micrococcin	C48H49N13O9S6	1143.21	NA	KEGG	NA	NA
+3078	hemorphin-8	YPWTQRFF	1143.536	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB06605	Sialyl Lea penta	C43H72N2O33	1144.40173	http://www.hmdb.ca/metabolites/HMDB06605	HMDB	NA	NA
+HMDB06614	Sialyl Lex penta	C43H72N2O33	1144.40173	http://www.hmdb.ca/metabolites/HMDB06614	HMDB	NA	NA
+HMDB06605	Sialyl Lea penta	C43H72N2O33	1144.40173	HMDB06605	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06614	Sialyl Lex penta	C43H72N2O33	1144.40173	HMDB06614	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06605	Sialyl Lewis<sup>a</sup> penta	C43H72N2O33	1144.401733	NA	HMDB2010	NA	NA
+HMDB06614	Sialyl Lex penta	C43H72N2O33	1144.401733	NA	HMDB2010	NA	NA
+7716	NA	NWGQFHGGWG	1144.4689	antioxidative	Inhouse_peptide	NA	peptide
+7340	celiac sprue gluten epitope from gamma-gliadin	QQTYPQRPQ	1144.547	antioxidative	Inhouse_peptide	NA	peptide
+7056	Cecropin A-magainin 2 hybrid	KWKLFKKISKFLHLAKKF	1144.702	MH2+	Inhouse_peptide	NA	peptide
+C15744	Aeruginopeptin 95A	C56H75N9O17	1145.5281	NA	KEGG	NA	NA
+3586	heparin-binding peptide	WQARMKKAGA	1145.5984	ACE inhibitor	Inhouse_peptide	NA	peptide
+3247	bombinin from B, Variegata	GIGALSAKGALKGLAKGLAEHFAN~	1146.1439	MH2+	Inhouse_peptide	NA	peptide
+8156	ACE inhibitor from b-CN (180-197)	YPQRDMPIQ	1146.5353	antibacterial	Inhouse_peptide	NA	peptide
+C08933	Camellidin I	C55H86O25	1146.5458	NA	KEGG	NA	NA
+3057	NA	YGKVLKKRR	1146.72	celiac toxic	Inhouse_peptide	NA	peptide
+7353	celiac sprue gluten epitope found in omega-gliadin	QQPYPQQPY	1147.514	antioxidative	Inhouse_peptide	NA	peptide
+3708	NA	RNKPFKFVL	1147.6719	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB04893	Ganglioside GA2 (d18:1/22:0)	C60H112N2O18	1148.791016	NA	HMDB2010	NA	NA
+HMDB04893	Ganglioside GA2 (d18:1/22:0)	C60H112N2O18	1148.79102	http://www.hmdb.ca/metabolites/HMDB04893	HMDB	NA	NA
+HMDB04893	Ganglioside GA2 (d18:1/22:0)	C60H112N2O18	1148.79102	HMDB04893	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04397	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine [UDP-Mur2Ac(oyl-L-Ala-g-D-Glu-L-Lys-D-Ala-D-Ala);]	C40H65N9O26P2	1149.351596	NA	metacyc	NA	NA
+C04702	UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)	C40H65N9O26P2	1149.3516	NA	KEGG	NA	NA
+C15745	Aeruginopeptin 95B	C56H79N9O17	1149.5594	NA	KEGG	NA	NA
+7055	P-18	KWKLFKKIPKFLHLAKKF	1149.712	MH2+	Inhouse_peptide	NA	peptide
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	http://www.hmdb.ca/metabolites/HMDB04887	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	http://www.hmdb.ca/metabolites/HMDB04887	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	http://www.hmdb.ca/metabolites/HMDB04887	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	http://www.hmdb.ca/metabolites/HMDB04887	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	http://www.hmdb.ca/metabolites/HMDB04887	HMDB	NA	NA
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	http://www.hmdb.ca/metabolites/HMDB04887	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.8114	HMDB04887	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04887	Trihexosylceramide (d18:1/25:0)	C61H115NO18	1149.811401	NA	HMDB2010	NA	NA
+3807	peptide from soybean b-conglycinin (Glycine max)	LLPHHADADY	1150.5268	ACE inhibitor	Inhouse_peptide	NA	peptide
+2619	synthetic fr,of human beta-CN (92-101) ACE inhibitor	TVYTKGRVMP	1150.6014	NA	Inhouse_peptide	NA	peptide
+3669	NA	KKWHLRKR	1150.705	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB01019	Cardiolipin	C58H120O17P2	1150.80005	http://www.hmdb.ca/metabolites/HMDB01019	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01019	Cardiolipin	C58H120O17P2	1150.80005	http://www.hmdb.ca/metabolites/HMDB01019	HMDB	NA	NA
+HMDB01019	Cardiolipin	C58H120O17P2	1150.80005	http://www.hmdb.ca/metabolites/HMDB01019	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01019	Cardiolipin	C58H120O17P2	1150.80005	HMDB01019	PFEM_hmdb_metabocards_official	NA	NA
+FL7AACGL0076	Cyanidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside)	C54H55O28	1151.2879	176260-03-0	knapsack	NA	NA
+7373	celiac sprue gluten epitope found in hordein	PRPQQPFPW	1151.572	antioxidative	Inhouse_peptide	NA	peptide
+C17629	Cinnamtannin B2	C60H48O24	1152.2536	NA	KEGG	NA	NA
+C17633	Cinnamtannin D2	C60H48O24	1152.2536	NA	KEGG	NA	NA
+C06216	Celloheptaose	C42H72O36	1152.3803	NA	KEGG	NA	NA
+3336	human beta-casein fr, 52-61	FAQTQSLVYP	1152.567	celiac toxic	Inhouse_peptide	NA	peptide
+7664	ACE inhibitor	YAEERYPIL	1152.568	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04844	Ganglioside GM3 (d18:1/16:0)	C57H104N2O21	1152.71313	http://www.hmdb.ca/metabolites/HMDB04844	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04844	Ganglioside GM3 (d18:1/16:0)	C57H104N2O21	1152.71313	http://www.hmdb.ca/metabolites/HMDB04844	HMDB	NA	NA
+HMDB04844	Ganglioside GM3 (d18:1/16:0)	C57H104N2O21	1152.71313	http://www.hmdb.ca/metabolites/HMDB04844	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04844	Ganglioside GM3 (d18:1/16:0)	C57H104N2O21	1152.71313	HMDB04844	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04844	Ganglioside GM3 (d18:1/16:0)	C57H104N2O21	1152.713135	NA	HMDB2010	NA	NA
+3754	NA	KLKLLLKLKG	1152.817	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04398	3-oxo-&Delta;4-cholyl-CoA [7&alpha;,12&alpha;-dihydroxy-3-oxo-4-cholenoic acid;]	C45H70N7O20P3S1	1153.360918	NA	metacyc	NA	NA
+5447	cearidin 1,4	GLLDGLLGGLGLG	1153.6569	ACE inhibitor	Inhouse_peptide	NA	peptide
+C17625	Cinnamtannin A2	C60H50O24	1154.2692	NA	KEGG	NA	NA
+HMDB11915	Ganglioside GM3 (d18:0/16:0)	C57H106N2O21	1154.72876	NA	HMDB2010	NA	NA
+FL7AACGL0077	Cyanidin 3-(6''-ferulyl-2'''-sinapylsophoroside)-5-glucoside	C54H59O28	1155.3192	117894-46-9<BR>124088-76-2<BR>110202-92-1	knapsack	NA	NA
+MetaCyc04399	3-oxo-cholyl-CoA [3-oxo-choloyl-CoA;7-&alpha;,12-&alpha;-dihydroxy-3-oxo-4-cholenyl-CoA;]	C45H72N7O20P3S1	1155.376568	NA	metacyc	NA	NA
+3252	beta-casokinin-10	YQQPVLGPVR	1155.625	celiac toxic	Inhouse_peptide	NA	peptide
+3369	b-casokinin-10 (193-202)	YQQPVLGPVR	1155.625	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB01444	Adenosine octaphosphate	C20H32N10O31P8	1155.91357	http://www.hmdb.ca/metabolites/HMDB01444	HMDB	NA	NA
+HMDB01444	Adenosine octaphosphate	C20H32N10O31P8	1155.91357	HMDB01444	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01444	Adenosine octaphosphate	C20H32N10O31P8	1155.913574	NA	HMDB2010	NA	NA
+2823	PEP inhibitor	RYDWWPYGNLFGGHTFISP	1156.03135	MH2+	Inhouse_peptide	NA	peptide
+C15727	Thiocoraline	C48H56N10O12S6	1156.2403	NA	KEGG	NA	NA
+2751	activating kinases and phosphatases peptide	EPFYENDPF	1156.4568	antibacterial	Inhouse_peptide	NA	peptide
+7412	celiac sprue gluten epitope found in secalin	QRPEQQFPQ	1156.547	antioxidative	Inhouse_peptide	NA	peptide
+5439	chromacin (from chromogranin A)	YPGPQAKEDSEGPSQGPASREK	1157.031	MH2+	Inhouse_peptide	NA	peptide
+C01794	Choloyl-CoA	C45H74N7O20P3S	1157.3922	NA	KEGG	NA	NA
+HMDB01374	Choloyl-CoA	C45H74N7O20P3S	1157.39221	http://www.hmdb.ca/metabolites/HMDB01374	HMDB	NA	NA
+HMDB01374	Choloyl-CoA	C45H74N7O20P3S	1157.39221	HMDB01374	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01374	Choloyl-CoA	C45H74N7O20P3S	1157.392212	NA	HMDB2010	NA	NA
+MetaCyc04400	cholyl-CoA [Choloyl-CoA;7-&alpha;, 12-&alpha;-dihydroxy-3-oxo-5-&beta;-cholyl-Coa;]	C45H74N7O20P3S1	1157.392218	NA	metacyc	NA	NA
+5531	hevein	CPNNLCCSQWGWCG	1157.5118	antioxidative	Inhouse_peptide	NA	peptide
+2892	neuropeptide from eyestalk of Macrobrachium rosenb	GYNRSFLRF~	1157.5969	antibacterial	Inhouse_peptide	NA	peptide
+8316	Anticancer peptide	ENLHLPLPLL	1157.6669	NA  ;SYN:(2S)-2-Amino-4-methylpentanoate; (2S)-2-Amino-4-methylpentanoic acid; (S)-(+)-Leucine; (S)-2-Amino-4-methylpentanoate; (S)-2-Amino-4-methylpentanoic acid; (S)-2-Amino-4-methylvalerate; (S)-2-Amino-4-methylvaleric acid; (S)-Leucine; 4-methyl-L-Norvaline; L-(+)-Leucine; L-a-Aminoisocaproate; L-a-Aminoisocaproic acid; Leu; L-alpha-Aminoisocaproate; L-alpha-Aminoisocaproic acid; LeucineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+7057	L9-P18, cecropin A-magainin 2 hybrid	KWKLFKKILKFLHLAKKF	1157.728	MH2+	Inhouse_peptide	NA	peptide
+7338	celiac sprue gluten epitope from gamma-gliadin	QQQQQQFPQ	1158.526	antioxidative	Inhouse_peptide	NA	peptide
+2862	NA	LVVYPWTQR	1160.62	antibacterial	Inhouse_peptide	NA	peptide
+3402	ACE inhibitor	LVVYPWTQR	1160.62	ACE inhibitor	Inhouse_peptide	NA	peptide
+3605	heparin-binding peptide	APRKNVAWCT	1161.5579	ACE inhibitor	Inhouse_peptide	NA	peptide
+3226	bradykinin derivative	KRPAGFSPFR	1161.626	celiac toxic	Inhouse_peptide	NA	peptide
+5398	brevinin-1	FLPVLAGIAAKVVPALFCKITKKC	1161.72805	MH2+	Inhouse_peptide	NA	peptide
+5431	So-D6 (defensin)	GIFSNMYXRTPAGYFRGPXGGYXXN	1162.03115	MH2+	Inhouse_peptide	NA	peptide
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.827026	NA	HMDB2010	NA	NA
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	http://www.hmdb.ca/metabolites/HMDB04884	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	http://www.hmdb.ca/metabolites/HMDB04884	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	http://www.hmdb.ca/metabolites/HMDB04884	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	http://www.hmdb.ca/metabolites/HMDB04884	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	http://www.hmdb.ca/metabolites/HMDB04884	HMDB	NA	NA
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	http://www.hmdb.ca/metabolites/HMDB04884	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04884	Trihexosylceramide (d18:1/26:1(17Z))	C62H117NO18	1163.82703	HMDB04884	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04843	Ganglioside GM3 ((d18:1/9Z-18:1)	C58H104N2O21	1164.71313	http://www.hmdb.ca/metabolites/HMDB04843	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04843	Ganglioside GM3 ((d18:1/9Z-18:1)	C58H104N2O21	1164.71313	http://www.hmdb.ca/metabolites/HMDB04843	HMDB	NA	NA
+HMDB04843	Ganglioside GM3 ((d18:1/9Z-18:1)	C58H104N2O21	1164.71313	http://www.hmdb.ca/metabolites/HMDB04843	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04843	Ganglioside GM3 ((d18:1/9Z-18:1)	C58H104N2O21	1164.71313	HMDB04843	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04843	Ganglioside GM3 (d18:1/9Z-18:1)	C58H104N2O21	1164.713135	NA	HMDB2010	NA	NA
+3030	calmodulin-binding peptide	AMKPWIQPKTKVIPYVRYL	1165.1572	MH2+	Inhouse_peptide	NA	peptide
+FL7AAAGL0045	Pelargonidin 3-(6''-p-coumaryl-2'''-sinapyl-sambubioside)-5-(6-malonylglucoside)	C55H57O28	1165.3036	175737-99-2	knapsack	NA	NA
+FL7AAAGL0046	Pelargonidin 3-(6'',2'''-diferulylsambubioside)-5-(6-malonylglucoside)	C55H57O28	1165.3036	175737-97-0	knapsack	NA	NA
+2742	activating kinases and phosphatases peptide	EPFYVNWPD	1165.4938	antibacterial	Inhouse_peptide	NA	peptide
+3603	heparin-binding peptide	PSITCVRRAF	1165.59	ACE inhibitor	Inhouse_peptide	NA	peptide
+3696	NA	KKWHRRKK	1165.715	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04401	test []	C83H138S1	1167.051925	NA	metacyc	NA	NA
+FL7AAAGL0054	Pelargonidin 3-O-(6-O-malonyl-beta-D-glucopyranoside)-7-O-(6-O-(4-O-(trans-caffeyl)-beta-D-glucopyranosyl)-trans-caffeyl)-beta-D-glucopyranoside)	C54H55O29	1167.2829	165070-66-6	knapsack	NA	NA
+FL7AAGGL0027	Delphinidin 3-(6'',6'''-di-p-coumarylsophoroside)-5-(6-malonylglucoside)	C54H55O29	1167.2829	176260-02-9	knapsack	NA	NA
+FL7AAGGL0052	Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside);Ternatin D3	C54H55O29	1167.2829	215378-79-3	knapsack	NA	NA
+7318	celiac sprue gluten epitope from gamma-gliadin	PHQQQQQQF	1167.526	antioxidative	Inhouse_peptide	NA	peptide
+7405	celiac sprue gluten epitope found in secalin	QHQQFPQQQ	1167.526	antioxidative	Inhouse_peptide	NA	peptide
+7038	synthetic peptide from alpha-gliadin	AMCNVYIPPYCT	1167.5493	antioxidative	Inhouse_peptide	NA	peptide
+7712	NA	GWNNLHEGWG	1168.4908	antioxidative	Inhouse_peptide	NA	peptide
+2677	NA	GGCRIGPITWVCGG	1168.62	antibacterial	Inhouse_peptide	NA	peptide
+5518	Pyrrhocoricin	VDKGSYLPRPTPPRPIYNRN	1169.61585	MH2+	Inhouse_peptide	NA	peptide
+7719	NA	EPAWSNLGIW~	1170.5689	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04900	Ganglioside GA1 (d18:1/12:0)	C56H102N2O23	1170.687378	NA	HMDB2010	NA	NA
+HMDB04958	Tetrahexosylceramide (d18:1/12:0)	C56H102N2O23	1170.687378	NA	HMDB2010	NA	NA
+HMDB04958	Tetrahexosylceramide (d18:1/12:0)	C56H102N2O23	1170.68738	http://www.hmdb.ca/metabolites/HMDB04958	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04900	Ganglioside GA1 (d18:1/12:0)	C56H102N2O23	1170.68738	http://www.hmdb.ca/metabolites/HMDB04900	HMDB	NA	NA
+HMDB04958	Tetrahexosylceramide (d18:1/12:0)	C56H102N2O23	1170.68738	http://www.hmdb.ca/metabolites/HMDB04958	HMDB	NA	NA
+HMDB04958	Tetrahexosylceramide (d18:1/12:0)	C56H102N2O23	1170.68738	http://www.hmdb.ca/metabolites/HMDB04958	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04900	Ganglioside GA1 (d18:1/12:0)	C56H102N2O23	1170.68738	HMDB04900	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04958	Tetrahexosylceramide (d18:1/12:0)	C56H102N2O23	1170.68738	HMDB04958	PFEM_hmdb_metabocards_official	NA	NA
+2978	kinetensin	IARRHPYFL	1171.6479	celiac toxic	Inhouse_peptide	NA	peptide
+2846	orphanin FQ/nociceptin analog [FQ/N (1-11)]	FGGFTGARKYA	1173.578	antibacterial	Inhouse_peptide	NA	peptide
+7469	coeliac toxic peptide	VVKVGGSSSLGW	1174.62	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04894	Ganglioside GA2 (d18:1/24:1(15Z))	C62H114N2O18	1174.80664	http://www.hmdb.ca/metabolites/HMDB04894	HMDB	NA	NA
+HMDB04894	Ganglioside GA2 (d18:1/24:1(15Z))	C62H114N2O18	1174.80664	HMDB04894	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04894	Ganglioside GA2 (d18:1/24:1(15Z))	C62H114N2O18	1174.806641	NA	HMDB2010	NA	NA
+3248	bombinin from B, Variegata	GIGALSAKGALKGLAKGLAEHFANG	1175.1465	MH2+	Inhouse_peptide	NA	peptide
+FL7AAGGL0031	Violdelphin	C53H59O30	1175.3091	126417-59-2	knapsack	NA	NA
+3561	heparin-binding peptide	APRKAARWCT	1175.585	ACE inhibitor	Inhouse_peptide	NA	peptide
+5411	bovine lactoferrin (LFb 19-37)	CRRWQWRMKKLGAPSITCV	1176.0862	MH2+	Inhouse_peptide	NA	peptide
+3963	NA	LKKISQRYQKFALPQYLKT	1176.17445	MH2+	Inhouse_peptide	NA	peptide
+HMDB04897	Ganglioside GA2 (d18:1/24:0)	C62H116N2O18	1176.822266	NA	HMDB2010	NA	NA
+HMDB04897	Ganglioside GA2 (d18:1/24:0)	C62H116N2O18	1176.82227	http://www.hmdb.ca/metabolites/HMDB04897	HMDB	NA	NA
+HMDB04897	Ganglioside GA2 (d18:1/24:0)	C62H116N2O18	1176.82227	HMDB04897	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11929	Ganglioside GM3 (d18:1/18:1(11Z))	C59H106N2O21	1178.72876	NA	HMDB2010	NA	NA
+3710	NA	RNKPFKFML	1179.6443	ACE inhibitor	Inhouse_peptide	NA	peptide
+2967	maculatin 1,2, from Litoria genimaculata	GLFGVLAKVASHVVPAIAEHFQA~	1179.64855	MH2+	Inhouse_peptide	NA	peptide
+HMDB04845	Ganglioside GM3 (d18:1/18:0)	C59H108N2O21	1180.744507	NA	HMDB2010	NA	NA
+HMDB11917	Ganglioside GM3 (d18:0/18:1(11Z))	C59H108N2O21	1180.744507	NA	HMDB2010	NA	NA
+HMDB11918	Ganglioside GM3 (d18:0/18:1(9Z))	C59H108N2O21	1180.744507	NA	HMDB2010	NA	NA
+HMDB04845	Ganglioside GM3 (d18:1/18:0)	C59H108N2O21	1180.74451	http://www.hmdb.ca/metabolites/HMDB04845	HMDB	NA	NA
+HMDB04845	Ganglioside GM3 (d18:1/18:0)	C59H108N2O21	1180.74451	HMDB04845	PFEM_hmdb_metabocards_official	NA	NA
+FL7AACGL0062	Cyanidin 3-(6''-p-coumaryl-2'''-sinapylsambubioside)-5-(6-malonylglucoside)	C55H57O29	1181.2985	163812-22-4	knapsack	NA	NA
+HMDB06895	3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA	C48H78N7O19P3S	1181.428589	NA	HMDB2010	NA	NA
+HMDB06895	3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA	C48H78N7O19P3S	1181.42859	http://www.hmdb.ca/metabolites/HMDB06895	HMDB	NA	NA
+HMDB06895	3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA	C48H78N7O19P3S	1181.42859	HMDB06895	PFEM_hmdb_metabocards_official	NA	NA
+C05447	3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA	C48H78N7O19P3S	1181.4286	NA	KEGG	NA	NA
+C07607	Gonadotropin-releasing hormone I	C55H75N17O13	1181.573	NA	KEGG	NA	NA
+7777	Streptococcus mutans inhibitor	SGSLSTFFRLFNRSFTQALGK	1181.61095	MH2+	Inhouse_peptide	NA	peptide
+5377	gaegurin 5	FLGALFKVASKVLPSVFCAITKKC	1181.7075	MH2+	Inhouse_peptide	NA	peptide
+C13569	Chromomycin A3	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13570	Transferred to D02063	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13571	Transferred to D02064	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13572	Transferred to D02065	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13573	Transferred to D02066	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13574	Transferred to D02067	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13575	Transferred to D02068	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13577	Transferred to D02069	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13578	Transferred to D02070	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13579	Transferred to D02071	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13580	Transferred to D02072	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13581	Transferred to D02073	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13582	Transferred to D02074	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13583	Transferred to D02075	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13584	Transferred to D02076	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13585	Transferred to D02077	C57H82O26	1182.5094	NA	KEGG	NA	NA
+C13586	Transferred to D02078	C57H82O26	1182.5094	NA	KEGG	NA	NA
+MetaCyc04402	adenosyl-cobyrate [adenosyl-cobyric acid;]	C55H77N15O11COBALT1	1182.525899	NA	metacyc	NA	NA
+C06507	Adenosyl cobyrinate hexaamide	C55H77CoN15O11	1182.5259	NA	KEGG	NA	NA
+2733	regulating the frequency of heart muscles contraction peptide	DRFGDKDIAF	1182.5537	antibacterial	Inhouse_peptide	NA	peptide
+HMDB11916	Ganglioside GM3 (d18:0/18:0)	C59H110N2O21	1182.760132	NA	HMDB2010	NA	NA
+FL7AAGGL0056	Ternatin C4	C51H59O32	1183.2989	215378-77-1	knapsack	NA	NA
+HMDB02159	3a,7a-Dihydroxy-5b-cholestanoyl-CoA	C48H80N7O19P3S	1183.44421	http://www.hmdb.ca/metabolites/HMDB02159	HMDB	NA	NA
+HMDB02159	3a,7a-Dihydroxy-5b-cholestanoyl-CoA	C48H80N7O19P3S	1183.44421	HMDB02159	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02159	3a,7a-Dihydroxy-5b-cholestanoyl-CoA	C48H80N7O19P3S	1183.444214	NA	HMDB2010	NA	NA
+MetaCyc04403	3&alpha;,7&alpha;-dihydroxy-5&beta;-cholestanoyl-CoA []	C48H80N7O19P3S1	1183.444254	NA	metacyc	NA	NA
+C04644	3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA	C48H80N7O19P3S	1183.4443	NA	KEGG	NA	NA
+C04645	6-(D-Glucose-1-phospho)-D-mannosylglycoprotein	C12H22O14PR	1183.4443	NA	KEGG	NA	NA
+C17345	(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA	C48H80N7O19P3S	1183.4443	NA	KEGG	NA	NA
+C17346	(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA	C48H80N7O19P3S	1183.4443	NA	KEGG	NA	NA
+C08973	Rotundioside B	C54H87O26S	1183.5206	NA	KEGG	NA	NA
+3989	Human urotensin II	ETPDCFWKYCV	1183.5399	opioid	Inhouse_peptide	NA	peptide
+3664	NA	RNIAEIIKDI	1183.6798	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL5FAAGA0038	Kaempferol 3-(2''''-sinapylglucosyl)(1->4)(6'''-sinapylglucosyl)(1->2)-galactoside	C55H60O29	1184.322	168781-61-1	knapsack	NA	NA
+7441	coeliac toxic peptide	QQXSQPQXPQQQQXPQQPQQ	1184.594	MH2+	Inhouse_peptide	NA	peptide
+C16887	Gambieric acid C	C65H100O19	1184.6859	NA	KEGG	NA	NA
+FL7AACGL0078	Cyanidin 3-(6'',6'''-disinapylsophoroside)-5-glucoside	C55H61O29	1185.3298	110202-93-2	knapsack	NA	NA
+FL7AACGL0096	Cyanidin 3-O-[beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside]	C55H61O29	1185.3298	190279-20-0	knapsack	NA	NA
+7343	celiac sprue gluten epitope from gamma-gliadin	QWPQQQQPF	1185.541	antioxidative	Inhouse_peptide	NA	peptide
+3484	ACE inhibitors derived from yeast GADPH	GHKIATFQER	1185.61	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04404	glycoprotein N-acetyl-D-glucosaminyl-phospho-D-mannose []	C42H71N6O31P1	1186.390136	NA	metacyc	NA	NA
+HMDB01083	Adenosyl cobyrinic acid a,c diamide	C55H73CoN11O15	1186.46191	http://www.hmdb.ca/metabolites/HMDB01083	HMDB	NA	NA
+HMDB01083	Adenosyl cobyrinic acid a,c diamide	C55H73CoN11O15	1186.46191	HMDB01083	PFEM_hmdb_metabocards_official	NA	NA
+HMDB01083	Adenosyl cobyrinic acid a,c diamide	C55H73CoN11O15	1186.461914	NA	HMDB2010	NA	NA
+MetaCyc04405	adenosyl-cobyrinic acid a,c-diamide []	C55H73N11O15COBALT1	1186.461961	NA	metacyc	NA	NA
+C06506	Adenosyl cobyrinate a,c diamide	C55H73CoN11O15	1186.462	NA	KEGG	NA	NA
+7039	synthetic peptide from alpha-gliadin	IPPYCTIAPFGI	1187.644	antioxidative	Inhouse_peptide	NA	peptide
+C01505	Kallidin	C56H85N17O12	1187.6564	NA	KEGG	NA	NA
+C01506	L-Glycol	C2H5O2R	1187.6564	NA	KEGG	NA	NA
+4008	NA	FLGYDCNLEKCNHHGVCNNKKNCH	1188.5742	MH2+	Inhouse_peptide	NA	peptide
+8166	peptide derived from human fibrinogen ?-chain (400-411)	HHLGGAKQAGDV	1188.5839	antibacterial	Inhouse_peptide	NA	peptide
+7475	coeliac toxic peptide	VEKIGGASSRGE	1188.595	antioxidative	Inhouse_peptide	NA	peptide
+3482	ACE inhibitor	SFQPQPLIYP	1188.603	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04406	dolichyl-phosphate [dolichol-phosphate;Dolychol phosphate;]	C80H133O4P1	1188.994149	NA	metacyc	NA	NA
+3245	bombinin like peptide BLP-3	GIGAAILSAGKSALKGLAKGLAEHF~	1189.18055	MH2+	Inhouse_peptide	NA	peptide
+2731	renin inhibitor	PHPFHFFVY	1189.555	NA	Inhouse_peptide	NA	peptide
+2845	orphanin FQ/nociceptin analog [FQ/N (1-11)]	FGGFTGARKSY	1189.573	antibacterial	Inhouse_peptide	NA	peptide
+3409	ACE inhibitor	LLNPPHQIYP	1190.6299	ACE inhibitor	Inhouse_peptide	NA	peptide
+3821	NA	GRFRRLGRKFKKLFKKYGP	1190.7119	MH2+	Inhouse_peptide	NA	peptide
+HMDB04898	Ganglioside GA2 (d18:1/25:0)	C63H118N2O18	1190.83801	http://www.hmdb.ca/metabolites/HMDB04898	HMDB	NA	NA
+HMDB04898	Ganglioside GA2 (d18:1/25:0)	C63H118N2O18	1190.83801	HMDB04898	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04898	Ganglioside GA2 (d18:1/25:0)	C63H118N2O18	1190.838013	NA	HMDB2010	NA	NA
+7672	ACE inhibitor from b-CN (49-59), mouse	SSIQSQPQAFT	1192.558	antioxidative	Inhouse_peptide	NA	peptide
+3483	ACE inhibitors derived from yeast GADPH	GKKIATYQER	1192.641	ACE inhibitor	Inhouse_peptide	NA	peptide
+3503	ACE inhibitor (bCN fr,80-90)	TPVVVPPFLQP	1192.6689	ACE inhibitor	Inhouse_peptide	NA	peptide
+C04882	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-	C41H65N9O28P2	1193.3414	NA	KEGG	NA	NA
+MetaCyc04407	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine [UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine;UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine;]	C41H65N9O28P2	1193.341426	NA	metacyc	NA	NA
+2570	VV-hemorphin-7	VVYPWTQRF	1194.604	antibacterial	Inhouse_peptide	NA	peptide
+FL7AAAGL0047	Pelargonidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside)	C56H59O29	1195.3142	175737-98-1	knapsack	NA	NA
+2748	activating kinases and phosphatases peptide	EPFYENWPD	1195.4678	antibacterial	Inhouse_peptide	NA	peptide
+C08915	Tigonin	C56H92O27	1196.5826	NA	KEGG	NA	NA
+FL7AACGL0063	Cyanidin 3-(6''-caffeyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside)	C55H57O30	1197.2934	163812-23-5	knapsack	NA	NA
+FL7AAGGL0041	Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside)	C55H57O30	1197.2934	379232-02-7	knapsack	NA	NA
+HMDB06889	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA	C48H78N7O20P3S	1197.42346	http://www.hmdb.ca/metabolites/HMDB06889	HMDB	NA	NA
+HMDB06896	3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA	C48H78N7O20P3S	1197.42346	http://www.hmdb.ca/metabolites/HMDB06896	HMDB	NA	NA
+HMDB06889	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA	C48H78N7O20P3S	1197.42346	HMDB06889	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06896	3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA	C48H78N7O20P3S	1197.42346	HMDB06896	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06889	3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA	C48H78N7O20P3S	1197.423462	NA	HMDB2010	NA	NA
+HMDB06896	3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA	C48H78N7O20P3S	1197.423462	NA	HMDB2010	NA	NA
+C05449	3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA	C48H78N7O20P3S	1197.4235	NA	KEGG	NA	NA
+C05460	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA	C48H78N7O20P3S	1197.4235	NA	KEGG	NA	NA
+2747	activating kinases and phosphatases peptide	EPFYMNWPD	1197.4662	antibacterial	Inhouse_peptide	NA	peptide
+5446	caeridin 1,1	GLLDGLLGTLGLG	1197.6829	ACE inhibitor	Inhouse_peptide	NA	peptide
+C16888	Gambieric acid D	C66H102O19	1198.7015	NA	KEGG	NA	NA
+MetaCyc04408	3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestanoyl-CoA [(25R)-3&alpha;,7&alpha;,12&alpha;-trihydroxy-5&beta;-cholestan-26-oyl-CoA;]	C48H80N7O20P3S1	1199.439168	NA	metacyc	NA	NA
+C04760	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA	C48H80N7O20P3S	1199.4392	NA	KEGG	NA	NA
+C04763	Apo-[propionyl-CoA:carbon-dioxide ligase (ADP-forming)]	C7H13N3O2R2	1199.4392	NA	KEGG	NA	NA
+C04764	C-terminal glycine residue of the polypeptide ubiquitin	C7H13N3O2R2	1199.4392	NA	KEGG	NA	NA
+C04765	Glycolipid(non-reducing N- or O-acylneuraminyl residue)	C7H13N3O2R2	1199.4392	NA	KEGG	NA	NA
+C05448	3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA	C48H80N7O20P3S	1199.4392	NA	KEGG	NA	NA
+C15613	(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA	C48H80N7O20P3S	1199.4392	NA	KEGG	NA	NA
+C17343	(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA	C48H80N7O20P3S	1199.4392	NA	KEGG	NA	NA
+HMDB02178	3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA	C48H80N7O20P3S	1199.439209	NA	HMDB2010	NA	NA
+HMDB12456	3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA	C48H80N7O20P3S	1199.439209	NA	HMDB2010	NA	NA
+HMDB02178	3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA	C48H80N7O20P3S	1199.43921	http://www.hmdb.ca/metabolites/HMDB02178	HMDB	NA	NA
+HMDB02178	3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA	C48H80N7O20P3S	1199.43921	HMDB02178	PFEM_hmdb_metabocards_official	NA	NA
+3971	ACE inhibitor (fragment of bovine a-La)	VGINYWLAHK	1199.6309	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL5FACGS0120	Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one	C55H60O30	1200.3169	352639-77-1	knapsack	NA	NA
+7065	coeliac toxic peptide	QQQQPPFSQQQQSPFSQQQQ	1200.542	MH2+	Inhouse_peptide	NA	peptide
+7438	coeliac toxic peptide	QQQQPFPSQQQQSPFSQQQQ	1200.542	MH2+	Inhouse_peptide	NA	peptide
+3251	beta-casomorphin-11 (60-70)	YPFPGPIPNSL	1200.6029	celiac toxic	Inhouse_peptide	NA	peptide
+5378	gaegurin 6	FLPLLAGLAANFLPTIICKISYKC	1201.2085	MH2+	Inhouse_peptide	NA	peptide
+FL7AAGGL0071	Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside)	C55H61O30	1201.3247	799854-14-1	knapsack	NA	NA
+C00210	Cobamide	C53H81CoN11O15P	1201.4983	NA	KEGG	NA	NA
+C00211	Collagen	C4H6N2O3R2	1201.4983	NA	KEGG	NA	NA
+7474	coeliac toxic peptide	VLKVGGTSDVEV	1201.6399	antioxidative	Inhouse_peptide	NA	peptide
+C05086	Cyclosporin A	C62H111N11O12	1201.8414	NA	KEGG	NA	NA
+HMDB06611	A-Heptasaccharide	C46H78N2O34	1202.4436	http://www.hmdb.ca/metabolites/HMDB06611	HMDB	NA	NA
+HMDB06611	A-Heptasaccharide	C46H78N2O34	1202.4436	HMDB06611	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06611	Alpha-Heptasaccharide	C46H78N2O34	1202.443604	NA	HMDB2010	NA	NA
+7025	synthetic peptide from alpha-gliadin	SQCQAIHNVVHA	1202.6009	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04895	Ganglioside GA2 (d18:1/26:1(17Z))	C64H118N2O18	1202.83801	http://www.hmdb.ca/metabolites/HMDB04895	HMDB	NA	NA
+HMDB04895	Ganglioside GA2 (d18:1/26:1(17Z))	C64H118N2O18	1202.83801	HMDB04895	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04895	Ganglioside GA2 (d18:1/26:1(17Z))	C64H118N2O18	1202.838013	NA	HMDB2010	NA	NA
+8091	peptide derived from bovine aS2-casein	NIQFNEQKAL	1203.6108	ACE inhibitor	Inhouse_peptide	NA	peptide
+2962	magainin 1 from skin of Xenopus laevis	GIGKFLHSAGKFGKAFVGEIMKS	1204.1417	MH2+	Inhouse_peptide	NA	peptide
+HMDB04896	Ganglioside GA2 (d18:1/26:0)	C64H120N2O18	1204.853638	NA	HMDB2010	NA	NA
+HMDB04896	Ganglioside GA2 (d18:1/26:0)	C64H120N2O18	1204.85364	http://www.hmdb.ca/metabolites/HMDB04896	HMDB	NA	NA
+HMDB04896	Ganglioside GA2 (d18:1/26:0)	C64H120N2O18	1204.85364	HMDB04896	PFEM_hmdb_metabocards_official	NA	NA
+3289	NA	NIMEILRGDF	1206.5942	celiac toxic	Inhouse_peptide	NA	peptide
+7789	de novo designed peptide	GLFEALLELLESLWELLLLEA	1206.662	MH2+	Inhouse_peptide	NA	peptide
+3560	heparin-binding peptide	APRKSSRWCT	1207.575	ACE inhibitor	Inhouse_peptide	NA	peptide
+5410	So-D4 (defensin)	MFFSSKKCKTVSKTFRGPCVRNA	1207.65065	MH2+	Inhouse_peptide	NA	peptide
+3134	ester transferases inhibitor	TWRMWYVPA	1208.5664	celiac toxic	Inhouse_peptide	NA	peptide
+C17441	Polygalacin D	C57H92O27	1208.5826	NA	KEGG	NA	NA
+C07612	Leuprolide	C59H84N16O12	1208.6455	NA	KEGG	NA	NA
+2968	maculatin 1,2, from Litoria genimaculata	GLFGVLAKVASHVVPAIAEHFQAG	1208.651	MH2+	Inhouse_peptide	NA	peptide
+HMDB04846	Ganglioside GM3 (d18:1/20:0)	C61H112N2O21	1208.775757	NA	HMDB2010	NA	NA
+HMDB04846	Ganglioside GM3 (d18:1/20:0)	C61H112N2O21	1208.77576	http://www.hmdb.ca/metabolites/HMDB04846	HMDB	NA	NA
+HMDB04846	Ganglioside GM3 (d18:1/20:0)	C61H112N2O21	1208.77576	HMDB04846	PFEM_hmdb_metabocards_official	NA	NA
+C16098	Neurokinin B	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16099	Endokinin A/B	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16100	Endokinin C	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16101	Endokinin D	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16102	Obestatin	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16103	Agouti related protein (87-132)	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16104	Neuropeptide EI	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16105	Orexin A	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16106	Orexin B	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16107	Neuromedin S	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16108	Adrenorphin	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16109	RFamide-related peptide 1	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16110	RFamide-related peptide 3	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16111	Neuropeptide AF	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16112	Neuropeptide FF	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16113	Gastrin-17	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16114	Cholecystokinin-8	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16115	Gastrin-releasing peptide	C55H79N13O14S2	1209.5311	NA	KEGG	NA	NA
+C16116	L-Aminoacyl-L-amino acid	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16117	Pancreatic polypeptide	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16118	Peptide YY	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16119	Vasoactive intestinal peptide	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16120	C-peptide	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16121	Relaxin-1	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16122	Relaxin-2	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16123	Relaxin-3	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16124	Insulin-like 3	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16125	Calcitonin gene-related peptide 1	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16126	Calcitonin gene-related peptide 2	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16127	Adrenomedullin	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16128	Adrenomedullin 2	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16129	Calcitonin receptor-stimulating peptide 1	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16130	Amylin	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16131	Insulin-like growth factor I	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16132	Insulin-like growth factor II	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16133	Cholecystokinin-33	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16134	Corticotropin-like intermediary peptide	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16135	Dynorphin B	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16136	beta-Melanotropin	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C16137	gamma-Melanotropin	C4H6N2O3R2	1209.5311	NA	KEGG	NA	NA
+C08892	Convallamaroside	C57H94O27	1210.5982	NA	KEGG	NA	NA
+HMDB11919	Ganglioside GM3 (d18:0/20:0)	C61H114N2O21	1210.791382	NA	HMDB2010	NA	NA
+FL7AACGL0064	Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside)	C56H59O30	1211.3091	163812-21-3	knapsack	NA	NA
+FL7AACGL0114	Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside)	C56H59O30	1211.3091	799854-19-6	knapsack	NA	NA
+FL5FAGGS0016	Montbretin B	C53H64O32	1212.338	115712-91-9	knapsack	NA	NA
+7470	coeliac toxic peptide	VIQVGGSNVLDI	1212.6578	antioxidative	Inhouse_peptide	NA	peptide
+C05467	3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA	C48H78N7O21P3S	1213.4184	NA	KEGG	NA	NA
+HMDB06891	3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA	C48H78N7O21P3S	1213.418457	NA	HMDB2010	NA	NA
+HMDB06891	3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA	C48H78N7O21P3S	1213.41846	http://www.hmdb.ca/metabolites/HMDB06891	HMDB	NA	NA
+HMDB06891	3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA	C48H78N7O21P3S	1213.41846	HMDB06891	PFEM_hmdb_metabocards_official	NA	NA
+7472	coeliac toxic peptide	VIRVGGASEVEV	1213.652	antioxidative	Inhouse_peptide	NA	peptide
+C15752	Lienomycin	C67H107NO18	1213.7488	NA	KEGG	NA	NA
+C11213	SDZ PSC 833	C63H111N11O12	1213.8414	NA	KEGG	NA	NA
+7061	coeliac toxic peptide	QPQQSFPQQQ	1214.552	antioxidative	Inhouse_peptide	NA	peptide
+2899	neuropeptide from eyestalk of Macrobrachium rosenb	NYDKNFLRF~	1214.6067	antibacterial	Inhouse_peptide	NA	peptide
+2577	calreticulin	QEQVPLVQQF	1214.614	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB06890	3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA	C48H80N7O21P3S	1215.43408	http://www.hmdb.ca/metabolites/HMDB06890	HMDB	NA	NA
+HMDB06890	3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA	C48H80N7O21P3S	1215.43408	HMDB06890	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06890	3a,7a,12a,24-Tetrahydroxy-5b-cholestanoyl-CoA	C48H80N7O21P3S	1215.434082	NA	HMDB2010	NA	NA
+C05450	3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA	C48H80N7O21P3S	1215.4341	NA	KEGG	NA	NA
+C15614	(24R,25R)-3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-	C48H80N7O21P3S	1215.4341	NA	KEGG	NA	NA
+2915	neuropeptide from eyestalk of Macrobrachium rosenb	GYNRSFLRFG	1215.6019	antibacterial	Inhouse_peptide	NA	peptide
+8298	ACE inhibitor	VTVNPYKWLP	1215.6499	NA  ;SYN:2-Amino-3-(3,4-dihydroxyphenyl)propanoate; 2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid; DL-3',4'-Dihydroxyphenylalanine; 3,4-Dihydroxy-DL-phenylalanine; 3,4-Dihydroxyphenylalanine; 3-(3,4-Dihydroxyphenyl)-DL-alanine;(+/-) 3-(3,4-Dihydroxyphenyl)alanine; DL-3,4-Dihydroxyphenylalanine; DL-3-Hydroxytyrosine; DL-4,5-Dihydroxyphenylalanine; DL-b-(3,4-Dihydroxyphenyl)alanine; a-amino-3,4-dihydroxy-Benzenepropanoate; a-amino-3,4-dihydroxy-Benzenepropanoic acid; b-(3,4-Dihydroxyphenyl)-a-alanine; DL-beta-(3,4-Dihydroxyphenyl)alanine; alpha-amino-3,4-dihydroxy-Benzenepropanoate; alpha-amino-3,4-dihydroxy-Benzenepropanoic acid; beta-(3,4-Dihydroxyphenyl)-alpha-alanine; DL-Dioxyphenylalanine; alpha-amino-Hydrocaffeic acidH2Blood	Inhouse_peptide	NA	peptide
+5524	buforin 2	TRSSRAGLQFPVGRVHRLLRK	1216.70655	MH2+	Inhouse_peptide	NA	peptide
+3246	bombinin like peptide BLP-3	GIGAAILSAGKSALKGLAKGLAEHFG	1218.183	MH2+	Inhouse_peptide	NA	peptide
+HMDB06612	Monofucosyllacto-N-hexaose	C46H78N2O35	1218.438477	NA	HMDB2010	NA	NA
+HMDB06643	Lacto-N-fucoheptaose	C46H78N2O35	1218.438477	NA	HMDB2010	NA	NA
+HMDB06612	Monofucosyllacto-N-hexaose	C46H78N2O35	1218.43848	http://www.hmdb.ca/metabolites/HMDB06612	HMDB	NA	NA
+HMDB06643	Lacto-N-fucoheptaose	C46H78N2O35	1218.43848	http://www.hmdb.ca/metabolites/HMDB06643	HMDB	NA	NA
+HMDB06612	Monofucosyllacto-N-hexaose	C46H78N2O35	1218.43848	HMDB06612	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06643	Lacto-N-fucoheptaose	C46H78N2O35	1218.43848	HMDB06643	PFEM_hmdb_metabocards_official	NA	NA
+7037	synthetic peptide from alpha-gliadin	ALQTLPAMCNVY	1219.6133	antioxidative	Inhouse_peptide	NA	peptide
+3701	NA	ENRKQDKRF	1219.6278	ACE inhibitor	Inhouse_peptide	NA	peptide
+C04894	UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N6-(L-alanyl)-L-	C43H70N10O27P2	1220.3887	NA	KEGG	NA	NA
+MetaCyc04409	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine []	C43H70N10O27P2	1220.38871	NA	metacyc	NA	NA
+8101	peptide derived from bigeye tuna dark muscle (Thunnus obesus)	LNLPTAVYMVT	1220.6333	inhibitor	Inhouse_peptide	NA	peptide
+C12053	Nosiheptide	C51H43N13O12S6	1221.1478	NA	KEGG	NA	NA
+5430	So-D5 (defensin)	MFFSSKKCKTVXKTFRGPCVRNAN	1221.15615	MH2+	Inhouse_peptide	NA	peptide
+5379	Brevinin-1EA	FLPAIFRMAAKVVPTIICSITKKC	1221.72815	MH2+	Inhouse_peptide	NA	peptide
+8145	peptide derived from jumbo squid skin gelatin (Dosidicus gigas)	NGPLQAGQPGER	1222.5899	stimulating	Inhouse_peptide	NA	peptide
+C08938	Cyclamin	C58H94O27	1222.5982	NA	KEGG	NA	NA
+3240	bombinin-like peptide BLP-4	GIGAAILSAGKSIIKGLANGLAEHEG	1223.16795	MH2+	Inhouse_peptide	NA	peptide
+C08888	Avenacoside B	C57H92O28	1224.5775	NA	KEGG	NA	NA
+C17410	Platycodin D	C57H92O28	1224.5775	NA	KEGG	NA	NA
+7709	NA	DWNKDLHIW~	1224.5907	antioxidative	Inhouse_peptide	NA	peptide
+3941	aurein 5,2	GLMSSIGKALGGLIVDLVKPKTPAS	1225.69715	MH2+	Inhouse_peptide	NA	peptide
+5475	aurein 5,2	GLMSSIGKALGGLIVDVLKPKTPAS	1225.69715	MH2+	Inhouse_peptide	NA	peptide
+7891	peptide from bovine b-lactoglobulin A	WYSLAMAASDI	1226.5523	ACE inhibitor	Inhouse_peptide	NA	peptide
+C17536	Sibiricoside A	C57H94O28	1226.5932	NA	KEGG	NA	NA
+HMDB04902	Ganglioside GA1 (d18:1/16:0)	C60H110N2O23	1226.749878	NA	HMDB2010	NA	NA
+HMDB04960	Tetrahexosylceramide (d18:1/16:0)	C60H110N2O23	1226.749878	NA	HMDB2010	NA	NA
+HMDB04902	Ganglioside GA1 (d18:1/16:0)	C60H110N2O23	1226.75	http://www.hmdb.ca/metabolites/HMDB04902	HMDB	NA	NA
+HMDB04960	Tetrahexosylceramide (d18:1/16:0)	C60H110N2O23	1226.75	http://www.hmdb.ca/metabolites/HMDB04960	HMDB	NA	NA
+HMDB04902	Ganglioside GA1 (d18:1/16:0)	C60H110N2O23	1226.75	HMDB04902	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04960	Tetrahexosylceramide (d18:1/16:0)	C60H110N2O23	1226.75	HMDB04960	PFEM_hmdb_metabocards_official	NA	NA
+FL7AAGGL0042	Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside)	C56H59O31	1227.304	379232-04-9	knapsack	NA	NA
+FL7AAGGL0063	Delphinidin 3-O-rutinoside-7,3'-di-O-(6-O-p-coumaroyl-beta-D-glucopyranoside)	C57H63O30	1227.3404	194302-05-1	knapsack	NA	NA
+7663	ACE inhibitor from b-CN (193-202)	YQEPVLQPVR	1227.646	antioxidative	Inhouse_peptide	NA	peptide
+2881	opioid fragment of b-lipotropin b/a-neoendorphin	YGGFLRKYPK	1227.661	antibacterial	Inhouse_peptide	NA	peptide
+2956	maiganin related peptide PGQ	GVLSNVIGYLKKLGTGALNAVLKQ	1227.7169	MH2+	Inhouse_peptide	NA	peptide
+FL5FAGGS0017	Montbretin A	C53H64O33	1228.3329	115712-92-0	knapsack	NA	NA
+C00765	Digitonin	C56H92O29	1228.5724	NA	KEGG	NA	NA
+7720	NA	EPAWSNLGIWG	1228.5739	antioxidative	Inhouse_peptide	NA	peptide
+C08911	Sarsaparilloside	C57H96O28	1228.6088	NA	KEGG	NA	NA
+3593	heparin-binding peptide	WQWRGKKLGA	1228.668	ACE inhibitor	Inhouse_peptide	NA	peptide
+C08986	Theasaponin	C59H92O27	1232.5826	NA	KEGG	NA	NA
+2961	maiganin 2 from Xenopus laevis	GIGKFLHSAKKFGKAFVGEIMNS	1232.6526	MH2+	Inhouse_peptide	NA	peptide
+7054	Magainin 2, African clawed frog	GIGKFLHSAKKFGKAFVGEIMNS	1232.65265	MH2+	Inhouse_peptide	NA	peptide
+5409	So-D3 (defensin)	GIFSSRKCKTVSKTFRGICTRNANC	1233.6793	MH2+	Inhouse_peptide	NA	peptide
+7770	Thanatin	GSKKPVPIIYCNRRTGKCQRM	1234.12515	MH2+	Inhouse_peptide	NA	peptide
+C12933	Rolitetracycline nitrate	C27H44O3	1234.4765	NA	KEGG	NA	NA
+C12934	Transferred to D01487	C27H44O3	1234.4765	NA	KEGG	NA	NA
+C12935	Transferred to D01488	C27H44O3	1234.4765	NA	KEGG	NA	NA
+C12936	Transferred to D01489	C27H44O3	1234.4765	NA	KEGG	NA	NA
+C17959	alpha-L-Rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol	C67H112O16P2	1234.7426	NA	KEGG	NA	NA
+HMDB11930	Ganglioside GM3 (d18:1/22:1(13Z))	C63H114N2O21	1234.791382	NA	HMDB2010	NA	NA
+3225	brevinin-1E from skin of European frog rana escule	FLPLLAGLAANFLPKIFCKITRKC	1235.2505	MH2+	Inhouse_peptide	NA	peptide
+8111	peptide derived from lecithin-free egg yolk	LMSYMWSTSM	1235.4902	ACE inhibitor	Inhouse_peptide	NA	peptide
+C08989	Virgaureasaponin I	C59H96O27	1236.6139	NA	KEGG	NA	NA
+HMDB04847	Ganglioside GM3 (d18:1/22:0)	C63H116N2O21	1236.807007	NA	HMDB2010	NA	NA
+HMDB11921	Ganglioside GM3 (d18:0/22:1(13Z))	C63H116N2O21	1236.807007	NA	HMDB2010	NA	NA
+HMDB04847	Ganglioside GM3 (d18:1/22:0)	C63H116N2O21	1236.80701	http://www.hmdb.ca/metabolites/HMDB04847	HMDB	NA	NA
+HMDB04847	Ganglioside GM3 (d18:1/22:0)	C63H116N2O21	1236.80701	HMDB04847	PFEM_hmdb_metabocards_official	NA	NA
+7782	peptide from: influenza virus*	GLFEAEGFIENGWEGMIDGWYG	1238.0251	MH2+	Inhouse_peptide	NA	peptide
+HMDB11920	Ganglioside GM3 (d18:0/22:0)	C63H118N2O21	1238.822754	NA	HMDB2010	NA	NA
+C06508	Adenosyl cobinamide	C58H84CoN16O11	1239.5837	NA	KEGG	NA	NA
+HMDB06903	Adenosyl cobinamide	C58H84CoN16O11	1239.58374	http://www.hmdb.ca/metabolites/HMDB06903	HMDB	NA	NA
+HMDB06903	Adenosyl cobinamide	C58H84CoN16O11	1239.58374	HMDB06903	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06903	Adenosyl cobinamide	C58H84CoN16O11	1239.58374	NA	HMDB2010	NA	NA
+MetaCyc04410	adenosylcobinamide []	C58H84N16O11COBALT1	1239.583748	NA	metacyc	NA	NA
+3607	heparin-binding peptide	WQWRAKKLGA	1242.684	ACE inhibitor	Inhouse_peptide	NA	peptide
+2924	neuropeptide from eyestalk of Macrobrachium rosenb	DRTPALRLRF~	1242.7179	antibacterial	Inhouse_peptide	NA	peptide
+FL7AAAGL0051	Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]	C57H63O31	1243.3353	140635-53-6	knapsack	NA	NA
+FL7AAGGL0032	Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-beta-glucoside)	C57H63O31	1243.3353	395680-63-4	knapsack	NA	NA
+FL7AAGGL0047	Delphinidin 3-O-[6-O-(4-O-(4-O-(6-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]	C57H63O31	1243.3353	307548-61-4	knapsack	NA	NA
+3598	heparin-binding peptide	WQCRMKKCGA	1243.5244	ACE inhibitor	Inhouse_peptide	NA	peptide
+2644	synthetic fr, of human beta-CN, ACE inhibitor	TDQHQDKIYP	1243.5678	NA	Inhouse_peptide	NA	peptide
+2921	neuropeptide from eyestalk of Macrobrachium rosenb	GGRSPSLRLRF~	1243.713	antibacterial	Inhouse_peptide	NA	peptide
+C12055	Sulfamycin B	C54H52N16O16S2	1244.3189	NA	KEGG	NA	NA
+3601	heparin-binding peptide	WQWRMKALGA	1245.6304	ACE inhibitor	Inhouse_peptide	NA	peptide
+3604	heparin-binding peptide	APRKNVRWCT	1246.6219	ACE inhibitor	Inhouse_peptide	NA	peptide
+8102	peptide derived from yellowfin sole frame protein (Limanda aspera)	RPDFDLEPPY	1247.5678	antioxidative	Inhouse_peptide	NA	peptide
+7064	coeliac toxic peptide	QPQPFPQQSEQSQQPFQPQPF	1248.572	MH2+	Inhouse_peptide	NA	peptide
+7440	coeliac toxic peptide	QPQPFPQQSEQSQQPFQPQPF	1248.572	MH2+	Inhouse_peptide	NA	peptide
+8271	f(64-75) of bovine kappa casein	PAAVRSPAQILQ	1249.7	Proteotypic phospho-amino acids  ;SYN:3-O-Phosphoserine; Dexfosfoserine; Fosforina; L-3-Phosphoserine; L-O-Phosphoserine; L-O-Serine phosphate; L-Phosphoserine; L-Serine dihydrogen phosphate (ester); L-Serine phosphate; L-Serinephosphorate; L-Serinephosphoric acid; L-Seryl phosphateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+MetaCyc04411	PAP-malonyl-CoA [adenosine-3',5'-diphosphate malonyl-CoA;]	C34H55N12O27P5S1	1250.170838	NA	metacyc	NA	NA
+5514	Misgurin	RQRVEELSKFSKKGAAARRRK	1250.2195	MH2+	Inhouse_peptide	NA	peptide
+3213	Casoxin from bovine kappa-casein fr:25-34	YIPIQYVLSR	1250.689	celiac toxic	Inhouse_peptide	NA	peptide
+3215	ileum contracting peptide	YIPIQYVLSR	1250.689	celiac toxic	Inhouse_peptide	NA	peptide
+3216	casoxin C	YIPIQYVLSR	1250.689	celiac toxic	Inhouse_peptide	NA	peptide
+3495	ACE inhibitor from k-casein	YIPIQYVLSR	1250.689	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11931	Ganglioside GM3 (d18:1/23:0)	C64H118N2O21	1250.822754	NA	HMDB2010	NA	NA
+5405	brevinin-1EC	FLPLLAGLAANFFPKIFCKITRKC	1252.24245	MH2+	Inhouse_peptide	NA	peptide
+HMDB04901	Ganglioside GA1 (d18:1/9Z-18:1)	C62H112N2O23	1252.76562	http://www.hmdb.ca/metabolites/HMDB04901	HMDB	NA	NA
+HMDB04959	Tetrahexosylceramide (d18:1/9Z-18:1)	C62H112N2O23	1252.76562	http://www.hmdb.ca/metabolites/HMDB04959	HMDB	NA	NA
+HMDB04901	Ganglioside GA1 (d18:1/9Z-18:1)	C62H112N2O23	1252.76562	HMDB04901	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04959	Tetrahexosylceramide (d18:1/9Z-18:1)	C62H112N2O23	1252.76562	HMDB04959	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04901	Ganglioside GA1 (d18:1/9Z-18:1)	C62H112N2O23	1252.765625	NA	HMDB2010	NA	NA
+HMDB04959	Tetrahexosylceramide (d18:1/9Z-18:1)	C62H112N2O23	1252.765625	NA	HMDB2010	NA	NA
+HMDB11922	Ganglioside GM3 (d18:0/23:0)	C64H120N2O21	1252.838379	NA	HMDB2010	NA	NA
+3243	bombinin-like peptide BLP-1	GIGASILSAGKSALKGLAKGLAGHFAN~	1253.7074	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04412	actinomycin []	C62H86N12O16	1254.628475	1402-38-6	metacyc	NA	NA
+C06770	Actinomycin D	C62H86N12O16	1254.6285	NA	KEGG	NA	NA
+HMDB00597	Ganglioside GA1	C62H114N2O23	1254.78125	http://www.hmdb.ca/metabolites/HMDB00597	HMDB	NA	NA
+HMDB04903	Ganglioside GA1 (d18:1/18:0)	C62H114N2O23	1254.78125	http://www.hmdb.ca/metabolites/HMDB04903	HMDB	NA	NA
+HMDB04961	Tetrahexosylceramide (d18:1/18:0)	C62H114N2O23	1254.78125	http://www.hmdb.ca/metabolites/HMDB04961	HMDB	NA	NA
+HMDB00597	Ganglioside GA1	C62H114N2O23	1254.78125	HMDB00597	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04903	Ganglioside GA1 (d18:1/18:0)	C62H114N2O23	1254.78125	HMDB04903	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04961	Tetrahexosylceramide (d18:1/18:0)	C62H114N2O23	1254.78125	HMDB04961	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04903	Ganglioside GA1 (d18:1/18:0)	C62H114N2O23	1254.78125	NA	HMDB2010	NA	NA
+HMDB04961	Tetrahexosylceramide (d18:1/18:0)	C62H114N2O23	1254.78125	NA	HMDB2010	NA	NA
+FL7AAIGL0033	Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-E-p-coumaroyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside	C59H67O30	1255.3717	402935-13-1	knapsack	NA	NA
+8317	Anticancer peptide	VENLHLPLPLL	1256.7349	NA  ;SYN:(2S)-2-Amino-4-methylpentanoate; (2S)-2-Amino-4-methylpentanoic acid; (S)-(+)-Leucine; (S)-2-Amino-4-methylpentanoate; (S)-2-Amino-4-methylpentanoic acid; (S)-2-Amino-4-methylvalerate; (S)-2-Amino-4-methylvaleric acid; (S)-Leucine; 4-methyl-L-Norvaline; L-(+)-Leucine; L-a-Aminoisocaproate; L-a-Aminoisocaproic acid; Leu; L-alpha-Aminoisocaproate; L-alpha-Aminoisocaproic acid; LeucineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+FL7AACGL0091	Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) 6''-O-(p-O-(glucosyl) p-coumaroyl) glucoside] 5-O-glucoside	C58H65O31	1257.3509	-	knapsack	NA	NA
+FL7AAHGL0017	Petunidin 3-O-(6-O-(4-O-(4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside	C58H65O31	1257.3509	232617-25-3	knapsack	NA	NA
+3665	drug-binding peptide	VCDWWGWGIC	1257.4579	ACE inhibitor	Inhouse_peptide	NA	peptide
+C15741	Methylsulfomycin I	C55H54N16O16S2	1258.3345	NA	KEGG	NA	NA
+2734	regulating the frequency of heart muscles contraction peptide	ARRCYNDPKC	1258.5178	antibacterial	Inhouse_peptide	NA	peptide
+3596	heparin-binding peptide	WQWRSKKLGA	1258.679	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL7AACGL0102	Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]	C57H63O32	1259.3302	710275-50-6	knapsack	NA	NA
+C16008	T-kinin	C59H89N17O14	1259.6775	NA	KEGG	NA	NA
+C16009	Big endothelin	C59H89N17O14	1259.6775	NA	KEGG	NA	NA
+C16010	Endothelin-1	C59H89N17O14	1259.6775	NA	KEGG	NA	NA
+C16011	Protein-omega-N-(ADP-D-ribosyl)-L-arginine	C22H34N10O15P2R2	1259.6775	NA	KEGG	NA	NA
+C16012	Endothelin-2	C22H34N10O15P2R2	1259.6775	NA	KEGG	NA	NA
+C16013	Endothelin-3	C22H34N10O15P2R2	1259.6775	NA	KEGG	NA	NA
+MetaCyc04413	amphomycin []	C56H87N13O20	1261.619032	NA	metacyc	NA	NA
+7676	ACE inhibitor from b-CN (48-59), rat	HSGIQSEPKAIP	1262.646	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04848	Ganglioside GM3 (d18:1/24:1(15Z))	C65H118N2O21	1262.82275	http://www.hmdb.ca/metabolites/HMDB04848	HMDB	NA	NA
+HMDB04848	Ganglioside GM3 (d18:1/24:1(15Z))	C65H118N2O21	1262.82275	HMDB04848	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04848	Ganglioside GM3 (d18:1/24:1(15Z))	C65H118N2O21	1262.822754	NA	HMDB2010	NA	NA
+7050	Alloferon 1 (Streptococcus pyogenes)	HGVSGHGQHGVHG	1264.563	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04851	Ganglioside GM3 (d18:1/24:0)	C65H120N2O21	1264.838379	NA	HMDB2010	NA	NA
+HMDB11924	Ganglioside GM3 (d18:0/24:1(15Z))	C65H120N2O21	1264.838379	NA	HMDB2010	NA	NA
+HMDB04851	Ganglioside GM3 (d18:1/24:0)	C65H120N2O21	1264.83838	http://www.hmdb.ca/metabolites/HMDB04851	HMDB	NA	NA
+HMDB04851	Ganglioside GM3 (d18:1/24:0)	C65H120N2O21	1264.83838	HMDB04851	PFEM_hmdb_metabocards_official	NA	NA
+7783	N-terminal peptide (INF7)	GLFEAIEGFIENGWEGMIWDYG	1266.0566	MH2+	Inhouse_peptide	NA	peptide
+C17443	Platycodin A	C59H94O29	1266.5881	NA	KEGG	NA	NA
+C17487	Platycodin C	C59H94O29	1266.5881	NA	KEGG	NA	NA
+HMDB11923	Ganglioside GM3 (d18:0/24:0)	C65H122N2O21	1266.854004	NA	HMDB2010	NA	NA
+C08982	Soyasaponin A1	C59H96O29	1268.6037	NA	KEGG	NA	NA
+2796	platelet inhibitor(fr,106-116 of bovine k-casein)	MAIPPKKNQDK	1268.6752	NA	Inhouse_peptide	NA	peptide
+3292	bovine kappa-casein fr,106-116	MAIPPKKNQDK	1268.6752	celiac toxic	Inhouse_peptide	NA	peptide
+MetaCyc04414	dolichyl diphosphate []	C80H134O7P2	1268.96048	NA	metacyc	NA	NA
+C12041	Tyrocidine	C66H87N13O13	1269.6546	NA	KEGG	NA	NA
+FL7AACGL0097	Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside]	C58H63O32	1271.3302	190279-21-1	knapsack	NA	NA
+FL7AAIGL0025	Malvidin 3-O-[6-O-[4-O-[4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)-p-coumaroyl]-alpha-L-rhamnosyl]-beta-D-glucopyranoside]-5-O-beta-D-glucopyranoside	C59H67O31	1271.3666	210050-04-7	knapsack	NA	NA
+8205	peptide from Cornu Bubali (Bubalus Bubalis horn)	AADNANELFPPN	1271.5646	Short chain acyl carnitines  ;SYN:2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-Ethanaminium inner salt; Choline Alfoscerate; Choline glycerophosphate; Glycerol 3-phosphocholine; Glycerol phosphorylcholine; Glycerol-3-phosphatidylcholine; Glycerophosphatidylcholine; Glycerophosphocholine; Glycerophosphorylcholine; L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt; L-alpha-Glycerophosphocholine; L-alpha-Glycerophosphorylcholine; L-alpha-Glycerylphosphorylcholine; a-Glycerophosphorylcholine; a-Glycerylphosphorylcholine; alpha-Glycerophosphorylcholine; hydrogen glycerophosphate Choline; sn-Glycero-3-phosphocholine; alpha-Glycerylphosphorylcholine; GPCho; GPCH2Blood; Breast Milk; Cerebrospinal Fluid; Semen	Inhouse_peptide	NA	peptide
+2907	neuropeptide from eyestalk of Macrobrachium rosenb	NYDKNFLRFG	1272.6117	antibacterial	Inhouse_peptide	NA	peptide
+C13937	Cholinephosphorylmannosylneogalabiaosylceramide	C63H122N2O21P	1273.8278	NA	KEGG	NA	NA
+C13938	Cholinephosphorylneogalatriaosylceramide	C63H122N2O21P	1273.8278	NA	KEGG	NA	NA
+C13939	Transferred to D02170	C63H122N2O21P	1273.8278	NA	KEGG	NA	NA
+7884	peptide from myosin heavy chain, pork muscles	VPSIDDQEELM	1274.5562	antibacterial	Inhouse_peptide	NA	peptide
+HMDB04852	Ganglioside GM3 (d18:1/25:0)	C66H122N2O21	1278.854	http://www.hmdb.ca/metabolites/HMDB04852	HMDB	NA	NA
+HMDB04852	Ganglioside GM3 (d18:1/25:0)	C66H122N2O21	1278.854	HMDB04852	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04852	Ganglioside GM3 (d18:1/25:0)	C66H122N2O21	1278.854004	NA	HMDB2010	NA	NA
+3254	bactenecin	RLCRIVVIRVCR	1278.86	celiac toxic	Inhouse_peptide	NA	peptide
+7717	NA	SKWDNFRGSW~	1280.5918	antioxidative	Inhouse_peptide	NA	peptide
+7033	synthetic peptide from alpha-gliadin	QQNPQAQGSVQP	1280.5949	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04415	actinomycinic monolactone []	C62H96N12O17	1280.70164	NA	metacyc	NA	NA
+HMDB11925	Ganglioside GM3 (d18:0/25:0)	C66H124N2O21	1280.869629	NA	HMDB2010	NA	NA
+3069	human endothelin I	CSCSSLMDKECVYFCHLDIIW	1280.9991	MH2+	Inhouse_peptide	NA	peptide
+7710	NA	DWNKDLHIWG	1282.5957	antioxidative	Inhouse_peptide	NA	peptide
+7017	synthetic peptide from alpha-gliadin	LQQQLIPCMDVV	1282.6813	antioxidative	Inhouse_peptide	NA	peptide
+3244	bombinin-like peptide BLP-1	GIGASILSAGKSALKGLAKGLAGHFANG	1282.70995	MH2+	Inhouse_peptide	NA	peptide
+HMDB04904	Ganglioside GA1 (d18:1/20:0)	C64H118N2O23	1282.8125	http://www.hmdb.ca/metabolites/HMDB04904	HMDB	NA	NA
+HMDB04962	Tetrahexosylceramide (d18:1/20:0)	C64H118N2O23	1282.8125	http://www.hmdb.ca/metabolites/HMDB04962	HMDB	NA	NA
+HMDB04904	Ganglioside GA1 (d18:1/20:0)	C64H118N2O23	1282.8125	HMDB04904	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04962	Tetrahexosylceramide (d18:1/20:0)	C64H118N2O23	1282.8125	HMDB04962	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04904	Ganglioside GA1 (d18:1/20:0)	C64H118N2O23	1282.8125	NA	HMDB2010	NA	NA
+HMDB04962	Tetrahexosylceramide (d18:1/20:0)	C64H118N2O23	1282.8125	NA	HMDB2010	NA	NA
+2576	calreticulin	YQLLQELCCQHL	1283.673	celiac toxic	Inhouse_peptide	NA	peptide
+C15959	Thermobiszeaxanthin-13-13	C78H124O14	1284.8991	NA	KEGG	NA	NA
+C15960	Octaneuropeptide	C78H124O14	1284.8991	NA	KEGG	NA	NA
+C15961	P55-TNFR	C78H124O14	1284.8991	NA	KEGG	NA	NA
+C15962	P75-TNFR	C78H124O14	1284.8991	NA	KEGG	NA	NA
+FL7AAIGL0032	Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-feruloyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside	C60H69O31	1285.3822	402935-12-0	knapsack	NA	NA
+2636	synthetic fr, of human beta-CN (42-52) ACE inhibitor	PSFQPQPLIYP	1285.655	NA	Inhouse_peptide	NA	peptide
+2819	PEP inhibitor	PRPQPHPQPHP	1286.645	NA	Inhouse_peptide	NA	peptide
+FL7AAGGL0061	Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside)	C58H63O33	1287.3251	799854-16-3	knapsack	NA	NA
+FL7AAIGL0026	Malvidin 3-O-[6-O-[4-O-[4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)caffeoyl]-alpha-L-rhamnosyl]-beta-D-glucopyranoside]-5-O-beta-D-glucopyranoside	C59H67O32	1287.3615	210050-03-6	knapsack	NA	NA
+HMDB06594	Disialyllacto-N-tetraose	C48H77N3O37	1287.42358	http://www.hmdb.ca/metabolites/HMDB06594	HMDB	NA	NA
+HMDB06594	Disialyllacto-N-tetraose	C48H77N3O37	1287.42358	HMDB06594	PFEM_hmdb_metabocards_official	NA	NA
+C12068	GE2270A	C56H55N15O10S6	1289.2581	NA	KEGG	NA	NA
+C12130	Anemone blue anthocyanin 1	C57H61O34	1289.3044	NA	KEGG	NA	NA
+FL7AAGGA0012	Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]-3'-O-[beta-D-glucuronopyranoside]	C57H61O34	1289.3044	462122-44-7	knapsack	NA	NA
+HMDB06594	Disialyllacto-N-tetraose	C48H79N3O37	1289.439209	NA	HMDB2010	NA	NA
+8120	peptide derived from giant squid muscle (Dosidicus gigas)	NADFGLNGLEGLA	1289.6117	anticancer	Inhouse_peptide	NA	peptide
+7023	synthetic peptide from alpha-gliadin	LCCQHLWQIPEQ	1290.657	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04849	Ganglioside GM3 (d18:1/26:1(17Z)))	C67H122N2O21	1290.854	http://www.hmdb.ca/metabolites/HMDB04849	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04849	Ganglioside GM3 (d18:1/26:1(17Z)))	C67H122N2O21	1290.854	http://www.hmdb.ca/metabolites/HMDB04849	HMDB	NA	NA
+HMDB04849	Ganglioside GM3 (d18:1/26:1(17Z)))	C67H122N2O21	1290.854	http://www.hmdb.ca/metabolites/HMDB04849	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04849	Ganglioside GM3 (d18:1/26:1(17Z)))	C67H122N2O21	1290.854	HMDB04849	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04849	Ganglioside GM3 (d18:1/26:1(17Z)))	C67H122N2O21	1290.854004	NA	HMDB2010	NA	NA
+3966	NA	VYQHQKAMKPWIQPKTKVIPY	1291.19875	MH2+	Inhouse_peptide	NA	peptide
+3222	caerin 1,1, from Litoria genimaculata	GLLSVLGSVAKHVLPHVVPVIAEHL~	1291.261	MH2+	Inhouse_peptide	NA	peptide
+C15819	FK463	C56H70N9O23S	1291.4203	NA	KEGG	NA	NA
+C15820	Teicoplanin	C58H42Cl2N7O18	1291.4203	NA	KEGG	NA	NA
+3594	heparin-binding peptide	WQWRCKKLGA	1291.647	ACE inhibitor	Inhouse_peptide	NA	peptide
+C04830	beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol	C69H115NO17P2	1291.764	NA	KEGG	NA	NA
+MetaCyc04416	&beta;-D-glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol []	C69H115N1O17P2	1291.764024	NA	metacyc	NA	NA
+7018	synthetic peptide from alpha-gliadin	PCMDVVLQQHNI	1292.6402	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04850	Ganglioside GM3 (d18:1/26:0)	C67H124N2O21	1292.869629	NA	HMDB2010	NA	NA
+HMDB11927	Ganglioside GM3 (d18:0/26:1(17Z))	C67H124N2O21	1292.869629	NA	HMDB2010	NA	NA
+HMDB04850	Ganglioside GM3 (d18:1/26:0)	C67H124N2O21	1292.86963	http://www.hmdb.ca/metabolites/HMDB04850	HMDB	NA	NA
+HMDB04850	Ganglioside GM3 (d18:1/26:0)	C67H124N2O21	1292.86963	HMDB04850	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11926	Ganglioside GM3 (d18:0/26:0)	C67H126N2O21	1294.885254	NA	HMDB2010	NA	NA
+C04465	alpha,alpha'-Trehalose 6,6'-bismycolate	C76H142O15	1295.0349	NA	KEGG	NA	NA
+C04466	alpha-2,8-Linked polymer of sialic acid	C76H142O15	1295.0349	NA	KEGG	NA	NA
+8136	peptide derived from rice (Oryza sativa L,)	DHHQVYSPGEQ	1295.5369	stimulating	Inhouse_peptide	NA	peptide
+8124	secretory peptide hormone - angiotensin I	DRVYIHPFHL	1295.6629	anticancer	Inhouse_peptide	NA	peptide
+C00873	Angiotensin I	C62H89N17O14	1295.6775	NA	KEGG	NA	NA
+C00875	Cephalosporin	C8H8N2O3SR2	1295.6775	NA	KEGG	NA	NA
+C07974	Suramin	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07975	Transferred to D00808	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07976	Transferred to D00809	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07977	Transferred to D00810	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07978	Transferred to D00811	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07979	Transferred to D00812	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07980	Transferred to D00813	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+C07981	Transferred to D00814	C51H40N6O23S6	1296.0469	NA	KEGG	NA	NA
+MetaCyc04417	&gamma;-cyclodextrin [cyclooctaamylose;ringdex c;cyclooctapentylose;&gamma;-dextrin;]	C48H80O40	1296.422587	NA	metacyc	NA	NA
+C15717	ECO 02301	C70H108N2O20	1296.7495	NA	KEGG	NA	NA
+3117	adrenocorticotropin hormone fr,: 1-10	SYSMEHFRWG	1298.5364	celiac toxic	Inhouse_peptide	NA	peptide
+2817	PEP inhibitor	HLPPPVHLPPPV	1298.7321	NA	Inhouse_peptide	NA	peptide
+HMDB04936	Ganglioside GM2 (d18:1/12:0)	C61H109N3O26	1299.72998	http://www.hmdb.ca/metabolites/HMDB04936	HMDB	NA	NA
+HMDB04936	Ganglioside GM2 (d18:1/12:0)	C61H109N3O26	1299.72998	HMDB04936	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04936	Ganglioside GM2 (d18:1/12:0)	C61H109N3O26	1299.72998	NA	HMDB2010	NA	NA
+3049	kinases inhibitor	LREIQILLRF	1299.79	celiac toxic	Inhouse_peptide	NA	peptide
+2567	regulating cell-permeability peptide	NYKKPKLAAAPALLALLVAPLLAVAA	1299.80045	MH2+	Inhouse_peptide	NA	peptide
+2568	regulating cell-permeability peptide	AAVALLPAVLLALLAPAAANYKKPKL	1299.80045	MH2+	Inhouse_peptide	NA	peptide
+2569	regulating cell-permeability peptide	NYKKPKLAAAAAVALLPAVLLALLAP	1299.80045	MH2+	Inhouse_peptide	NA	peptide
+2960	maiganin related peptide CPG	GFGSFLGKALKAALKIGANALGGSPQQ	1300.2119	MH2+	Inhouse_peptide	NA	peptide
+2905	neuropeptide from eyestalk of Macrobrachium rosenb	DRTPALRLRFG	1300.7229	antibacterial	Inhouse_peptide	NA	peptide
+HMDB11894	Ganglioside GM2 (d18:0/12:0)	C62H112N2O26	1300.750366	NA	HMDB2010	NA	NA
+C13872	Caldarchaeol	C86H172O6	1301.3154	NA	KEGG	NA	NA
+C13873	Transferred to D02150	C86H172O6	1301.3154	NA	KEGG	NA	NA
+2904	neuropeptide from eyestalk of Macrobrachium rosenb	GGRSPSLRLRFG	1301.718	antibacterial	Inhouse_peptide	NA	peptide
+7725	NA	RIGKMVSFPRI~	1301.7614	antioxidative	Inhouse_peptide	NA	peptide
+3591	heparin-binding peptide	WQWRMKKLGA	1302.6874	ACE inhibitor	Inhouse_peptide	NA	peptide
+2959	maiganin related peptide LPF	GWASKIGQTLGKIAKVGLQGLMQPK	1304.23365	MH2+	Inhouse_peptide	NA	peptide
+3995	NA	TKCFQWQRNMRKVRGPPVSCIKR	1305.72815	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04418	actinomycinate [actinomycinic acid;]	C62H106N12O18	1306.774805	NA	metacyc	NA	NA
+3136	ester transferases inhibitor	VTWRMWYVPA	1307.6344	celiac toxic	Inhouse_peptide	NA	peptide
+2973	LVV-hemorphin-7	LVVYPWTQRF	1307.688	celiac toxic	Inhouse_peptide	NA	peptide
+3068	human endothelin II	CSCSSWLDKECVYFCHLDIIW	1308.5184	MH2+	Inhouse_peptide	NA	peptide
+7020	synthetic peptide from alpha-gliadin	AHGRSQVLQQST	1310.654	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04905	Ganglioside GA1 (d18:1/22:0)	C66H122N2O23	1310.84387	http://www.hmdb.ca/metabolites/HMDB04905	HMDB	NA	NA
+HMDB04963	Tetrahexosylceramide (d18:1/22:0)	C66H122N2O23	1310.84387	http://www.hmdb.ca/metabolites/HMDB04963	HMDB	NA	NA
+HMDB04905	Ganglioside GA1 (d18:1/22:0)	C66H122N2O23	1310.84387	HMDB04905	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04963	Tetrahexosylceramide (d18:1/22:0)	C66H122N2O23	1310.84387	HMDB04963	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04905	Ganglioside GA1 (d18:1/22:0)	C66H122N2O23	1310.843872	NA	HMDB2010	NA	NA
+HMDB04963	Tetrahexosylceramide (d18:1/22:0)	C66H122N2O23	1310.843872	NA	HMDB2010	NA	NA
+C12016	A47934	C58H44Cl3N7O21S	1311.1377	NA	KEGG	NA	NA
+7443	coeliac toxic peptide	YYPTSPQQSGQG	1311.557	antioxidative	Inhouse_peptide	NA	peptide
+C15963	Thermobiszeaxanthin-13-15	C80H128O14	1312.9304	NA	KEGG	NA	NA
+2813	PEP inhibitor	GVQVETISPGDGR	1313.6418	NA	Inhouse_peptide	NA	peptide
+2925	neuropeptide from eyestalk of Macrobrachium rosenb	ANRSPSLRLRF~	1314.7509	antibacterial	Inhouse_peptide	NA	peptide
+7032	synthetic peptide from alpha-gliadin	GSFRPSQQNPQA	1315.6119	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04419	adenosylcobinamide-P [adenosyl-cobinamide phosphate;]	C58H83N16O14P1COBALT1	1317.534428	NA	metacyc	NA	NA
+C04054	5-Hydroxybenzimidazolylcob(I)amide	C60H85CoN13O15P	1317.5358	NA	KEGG	NA	NA
+7464	coeliac toxic peptide	LGQGSFRPSQQN	1317.6279	antioxidative	Inhouse_peptide	NA	peptide
+2730	renin inhibitor	PHPFHFFVYK	1317.649	NA	Inhouse_peptide	NA	peptide
+C08987	Tubeimoside I	C63H98O29	1318.6194	NA	KEGG	NA	NA
+HMDB12184	Adenosyl cobinamide phosphate	C58H85CoN16O14P	1319.550049	NA	HMDB2010	NA	NA
+C06509	Adenosyl cobinamide phosphate	C58H85CoN16O14P	1319.5501	NA	KEGG	NA	NA
+3221	caerin 1,1, from Litoria genimaculata	GLLSVLGSVAKHVLPHVVPVIAEHLG	1320.26355	MH2+	Inhouse_peptide	NA	peptide
+7445	coeliac toxic peptide	SSQVSFQPSQLN	1320.6169	antioxidative	Inhouse_peptide	NA	peptide
+3648	NA	KLKLLLLLKLK~	1320.98	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04420	dolichyl D-xylosyl phosphate []	C85H141O8P1	1321.036408	NA	metacyc	NA	NA
+7744	ACE inhibitor from bullfrog (R,catesbeiana)	GAAELPCSADWW	1321.5269	antioxidative	Inhouse_peptide	NA	peptide
+C07613	Nafarelin	C66H83N17O13	1321.6356	NA	KEGG	NA	NA
+C07614	Transferred to D00573	C66H83N17O13	1321.6356	NA	KEGG	NA	NA
+C07671	Histrelin	C66H86N18O12	1322.6673	NA	KEGG	NA	NA
+8294	Fatty acid synthase inhibitor	EITPEKNPQLR	1323.6989	NA  ;SYN:4,4'-Dithiobis; DL-Homocystine; HomocystineH2Blood; Urine	Inhouse_peptide	NA	peptide
+C04932	2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-	C68H129N2O20P	1324.8876	NA	KEGG	NA	NA
+C04934	N-Acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,2)-	C30H50N3O21R	1324.8876	NA	KEGG	NA	NA
+C04936	alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-	C56H96N3O31R	1324.8876	NA	KEGG	NA	NA
+C04937	N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6-(N-acetyl-	C34H57N2O26R	1324.8876	NA	KEGG	NA	NA
+C04938	N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-N-acetyl-beta-D-	C53H92N3O28R	1324.8876	NA	KEGG	NA	NA
+C04939	N-Acetyl-D-glucosaminyl-1,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-	C53H92N3O28R	1324.8876	NA	KEGG	NA	NA
+C04940	(N-Acetyl-beta-D-glucosaminyl-1,2)-alpha-D-mannosyl-1,3-(beta-N-	C34H57N2O26R	1324.8876	NA	KEGG	NA	NA
+C04942	beta-D-Mannosyl-R	C6H11O6R	1324.8876	NA	KEGG	NA	NA
+C04943	N-Acetyl-beta-D-glucosaminyl-1,4-(N-acetyl-beta-D-glucosaminyl-1,2)-	C28H47N2O21R	1324.8876	NA	KEGG	NA	NA
+C04944	6-(2-[N-Acetyl-beta-D-glucosaminyl]-alpha-D-mannosyl)-beta-D-	C20H34NO16R	1324.8876	NA	KEGG	NA	NA
+MetaCyc04421	lipid A disaccharide [2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(&beta;-D-1,6)-2,3-bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-&beta;-phosphate;2,3-bis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-&beta;-D-2,3-bis(3-hydroxymyristoyl)-&beta;-D-glucosaminyl 1-phosphate;2'-3'-diacyl-GlcN(&beta;-1'-6)2,3-diacyl-GlcN-1-P;2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-&beta;-D-glucosamine 1-phosphate;2,3-bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-&beta;-D-2,3-bis(3-hydroxytetradecanoyl)-&beta;-D-glucosaminyl 1-phosphate;[2-N,3-O-bis(3-hydroxytetradecanoyl)-&beta;-D-glucosaminyl]-(1 => 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-&beta;-D-glucosaminyl phosphate];]	C68H129N2O20P1	1324.887631	NA	metacyc	NA	NA
+C15695	Complestatin	C61H45Cl6N7O15	1325.1105	NA	KEGG	NA	NA
+8137	anticancer peptide from algae protein waste (Chlorella vulgaris)	VECYGPNRPQF	1325.5679	stimulating	Inhouse_peptide	NA	peptide
+8138	peptide derived from algae protein waste (Chlorella vulgaris)	VECYGPNRPQF	1325.5679	stimulating	Inhouse_peptide	NA	peptide
+2758	rat NP-3 defensin	CSCRTSSCRFGERLSGACRLNGRIYRLCC	1325.71645	MH2+	Inhouse_peptide	NA	peptide
+C13548	Alprostadil alfadex	C36H60O30	1326.5576	NA	KEGG	NA	NA
+C13549	Transferred to D02045	C36H60O30	1326.5576	NA	KEGG	NA	NA
+7024	synthetic peptide from alpha-gliadin	WQIPEQSQCQAI	1326.642	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11909	Ganglioside GM2 (d18:1/14:0)	C64H114N2O26	1326.765991	NA	HMDB2010	NA	NA
+EUR080	cobalamin	C62H88CoN13O14P	1328.5643	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR080	cobalamin	C62H88CoN13O14P	1328.5643	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR080	cobalamin	C62H88CoN13O14P	1328.5643	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR080	cobalamin	C62H88CoN13O14P	1328.5643	Wishlist	Inhousejuil11	NA	NA
+C00541	Cob(II)alamin	C62H88CoN13O14P	1328.5643	NA	KEGG	NA	NA
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	HMDB	NA	NA
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	Inhouse_PFEM	NA	NA
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR080	Cobalamin	C62H88CoN13O14P	1328.564324	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02174	Cobalamin	C62H88CoN13O14P	1328.56433	http://www.hmdb.ca/metabolites/HMDB02174	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03429	Cob(I)alamin	C62H88CoN13O14P	1328.56433	http://www.hmdb.ca/metabolites/HMDB03429	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB02174	Cobalamin	C62H88CoN13O14P	1328.56433	http://www.hmdb.ca/metabolites/HMDB02174	HMDB	NA	NA
+HMDB03429	Cob(I)alamin	C62H88CoN13O14P	1328.56433	http://www.hmdb.ca/metabolites/HMDB03429	HMDB	NA	NA
+HMDB02174	Cobalamin	C62H88CoN13O14P	1328.56433	http://www.hmdb.ca/metabolites/HMDB02174	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03429	Cob(I)alamin	C62H88CoN13O14P	1328.56433	http://www.hmdb.ca/metabolites/HMDB03429	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB02174	Cobalamin	C62H88CoN13O14P	1328.56433	HMDB02174	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03429	Cob(I)alamin	C62H88CoN13O14P	1328.56433	HMDB03429	PFEM_hmdb_metabocards_official	NA	NA
+HMDB02174	Cobalamin	C62H88CoN13O14P	1328.564331	NA	HMDB2010	NA	NA
+HMDB03429	Cob(I)alamin	C62H88CoN13O14P	1328.564331	NA	HMDB2010	NA	NA
+MetaCyc04422	cob(II) alamin [vitamin B12;vitamin B12r;cobalamin;cbl;vitamin B12;]	C62H88N13O14P1COBALT1	1328.564331	NA	metacyc	NA	NA
+MetaCyc04423	cob(I)alamin [B12;cobalamin;vitamin B12;Cbl;vitamin B12s;]	C62H88N13O14P1COBALT1	1328.564331	18534-66-2	metacyc	NA	NA
+7797	Antioxidant peptide derived from bovine b- and k-casein	ARHPHPHLSFM	1328.6404	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11895	Ganglioside GM2 (d18:0/14:0)	C64H116N2O26	1328.781616	NA	HMDB2010	NA	NA
+FL7AAGGL0053	Ternatin C1	C60H65O34	1329.3357	215378-73-7	knapsack	NA	NA
+HMDB06316	Cob(II)alamin	C62H89CoN13O14P	1329.57214	http://www.hmdb.ca/metabolites/HMDB06316	HMDB	NA	NA
+HMDB06316	Cob(II)alamin	C62H89CoN13O14P	1329.57214	HMDB06316	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06316	Cob(II)alamin	C62H89CoN13O14P	1329.572144	NA	HMDB2010	NA	NA
+C00853	Cob(I)alamin	C62H89CoN13O14P	1329.5722	NA	KEGG	NA	NA
+7673	ACE inhibitor from b-CN (48-59), mouse	HSSIQSQPQAFT	1329.616	antioxidative	Inhouse_peptide	NA	peptide
+C12133	Anemone blue anthocyanin 4	C58H59O36	1331.2786	NA	KEGG	NA	NA
+FL7AAGGA0011	Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-6-O-(2-O-(tartaryl)malonyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]	C58H59O36	1331.2786	462122-47-0	knapsack	NA	NA
+2955	maiganin related peptide XPF	GWASKIGQTLGKIAKVGLKELIQPK	1331.28395	MH2+	Inhouse_peptide	NA	peptide
+C04665	Co-Methyl-Co-5-hydroxybenzimidazolylcobamide	C61H87CoN13O15P	1331.5514	NA	KEGG	NA	NA
+5488	clavanin A	VFQFLGKIIHHVGNFVHGFSHVF	1332.69285	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04424	prenyl-P-P-GlcNAc-ManNAc [N-acetyl-&beta;-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol;ManNAc-GlcNAc-PP-undecaprenol;]	C71H118N2O17P2	1332.790573	NA	metacyc	NA	NA
+C04881	N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-	C71H118N2O17P2	1332.7906	NA	KEGG	NA	NA
+5510	clavanin C	VFHLLGKIIHHVGNFVYGFSHVF	1333.2035	MH2+	Inhouse_peptide	NA	peptide
+5521	Androctonin	RSVCRQIKICRRRGGCYYKCTNRPY	1333.24645	MH2+	Inhouse_peptide	NA	peptide
+C15718	Pyoverdine I	C55H83N17O22	1333.5899	NA	KEGG	NA	NA
+7473	coeliac toxic peptide	RIRVGQSMNMGS	1334.6417	antioxidative	Inhouse_peptide	NA	peptide
+7031	synthetic peptide from alpha-gliadin	QYPLGQGSFRPS	1335.642	antioxidative	Inhouse_peptide	NA	peptide
+7476	coeliac toxic peptide	VLKMAGNSFQEN	1336.6302	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04906	Ganglioside GA1 (d18:1/24:1(15Z))	C68H124N2O23	1336.859497	NA	HMDB2010	NA	NA
+HMDB04964	Tetrahexosylceramide (d18:1/24:1(15Z))	C68H124N2O23	1336.859497	NA	HMDB2010	NA	NA
+HMDB04906	Ganglioside GA1 (d18:1/24:1(15Z))	C68H124N2O23	1336.8595	http://www.hmdb.ca/metabolites/HMDB04906	HMDB	NA	NA
+HMDB04964	Tetrahexosylceramide (d18:1/24:1(15Z))	C68H124N2O23	1336.8595	http://www.hmdb.ca/metabolites/HMDB04964	HMDB	NA	NA
+HMDB04906	Ganglioside GA1 (d18:1/24:1(15Z))	C68H124N2O23	1336.8595	HMDB04906	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04964	Tetrahexosylceramide (d18:1/24:1(15Z))	C68H124N2O23	1336.8595	HMDB04964	PFEM_hmdb_metabocards_official	NA	NA
+3609	NA	GLLRRLRDFLKKIGEKFKKIGY~	1338.3119	MH2+	Inhouse_peptide	NA	peptide
+7718	NA	SKWDNFRGSWG	1338.5968	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04909	Ganglioside GA1 (d18:1/24:0)	C68H126N2O23	1338.87512	http://www.hmdb.ca/metabolites/HMDB04909	HMDB	NA	NA
+HMDB04967	Tetrahexosylceramide (d18:1/24:0)	C68H126N2O23	1338.87512	http://www.hmdb.ca/metabolites/HMDB04967	HMDB	NA	NA
+HMDB04909	Ganglioside GA1 (d18:1/24:0)	C68H126N2O23	1338.87512	HMDB04909	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04967	Tetrahexosylceramide (d18:1/24:0)	C68H126N2O23	1338.87512	HMDB04967	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04909	Ganglioside GA1 (d18:1/24:0)	C68H126N2O23	1338.875122	NA	HMDB2010	NA	NA
+HMDB04967	Tetrahexosylceramide (d18:1/24:0)	C68H126N2O23	1338.875122	NA	HMDB2010	NA	NA
+C15964	Thermobiszeaxanthin-15-15	C82H132O14	1340.9617	NA	KEGG	NA	NA
+FL7AACGL0084	Cyanidin 3-O-[2-O-(2-O-(sinapoyl)-bata-D-xylopyranosyl) 6-O-(4-O-(beta-D-glucopyranosyl)-p-coumaroyl-bata-D-glucopyranoside] 5-O-[6-O-(malonyl) bata-D-glucopyranoside]	C61H67O34	1343.3513	-	knapsack	NA	NA
+HMDB02274	Methylcobalamin	C63H91CoN13O14P	1343.587769	NA	HMDB2010	NA	NA
+HMDB02274	Methylcobalamin	C63H91CoN13O14P	1343.58777	http://www.hmdb.ca/metabolites/HMDB02274	HMDB	NA	NA
+HMDB02274	Methylcobalamin	C63H91CoN13O14P	1343.58777	HMDB02274	PFEM_hmdb_metabocards_official	NA	NA
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	HMDB	NA	NA
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	Inhouse_PFEM	NA	NA
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.587799	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.5878	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.5878	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.5878	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR079	Methylcobalamin	C63H91CoN13O14P	1343.5878	Wishlist	Inhousejuil11	NA	NA
+C06453	Methylcobalamin	C63H91CoN13O14P	1343.5878	NA	KEGG	NA	NA
+HMDB06559	Heptaglutamyl folic acid	C54H68N14O27	1344.437866	NA	HMDB2010	NA	NA
+HMDB06559	Heptaglutamyl folic acid	C54H68N14O27	1344.43787	http://www.hmdb.ca/metabolites/HMDB06559	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB06559	Heptaglutamyl folic acid	C54H68N14O27	1344.43787	http://www.hmdb.ca/metabolites/HMDB06559	HMDB	NA	NA
+HMDB06559	Heptaglutamyl folic acid	C54H68N14O27	1344.43787	http://www.hmdb.ca/metabolites/HMDB06559	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB06559	Heptaglutamyl folic acid	C54H68N14O27	1344.43787	HMDB06559	PFEM_hmdb_metabocards_official	NA	NA
+7029	synthetic peptide from alpha-gliadin	PSSQVSFQQPLQ	1344.652	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04425	aquacob(III)alamin [aquacobalamin;]	C62H89N13O15P1COBALT1	1345.567071	13422-52-1	metacyc	NA	NA
+C08230	Hydroxocobalamin	C62H89CoN13O15P	1345.5671	NA	KEGG	NA	NA
+C08231	Transferred to D01028	C62H89CoN13O15P	1345.5671	NA	KEGG	NA	NA
+HMDB02308	Hydroxycobalamin	C62H90CoN13O15P	1346.57483	http://www.hmdb.ca/metabolites/HMDB02308	HMDB	NA	NA
+HMDB02308	Hydroxycobalamin	C62H90CoN13O15P	1346.57483	HMDB02308	PFEM_hmdb_metabocards_official	NA	NA
+C00992	Aquacob(III)alamin	C62H90CoN13O15P	1346.5749	NA	KEGG	NA	NA
+HMDB02308	Hydroxycobalamin	C62H90CoN13O15P	1346.574951	NA	HMDB2010	NA	NA
+HMDB03458	Aquacobalamin	C62H90CoN13O15P	1346.574951	NA	HMDB2010	NA	NA
+5489	clavanin B	VFQFLGRIIHHVGNFVHGFSHVF	1346.6964	MH2+	Inhouse_peptide	NA	peptide
+2674	substance P	RPKPQQFFGLM~	1346.7124	NA	Inhouse_peptide	NA	peptide
+HMDB01897	Substance P	C63H98N18O13S	1346.728149	NA	HMDB2010	NA	NA
+HMDB01897	Substance P	C63H98N18O13S	1346.72815	http://www.hmdb.ca/metabolites/HMDB01897	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB01897	Substance P	C63H98N18O13S	1346.72815	http://www.hmdb.ca/metabolites/HMDB01897	HMDB	NA	NA
+HMDB01897	Substance P	C63H98N18O13S	1346.72815	NA  ;SYN:(2R)-2-aminopentanedioate; (2R)-2-aminopentanedioic acid; (R)-2-aminopentanedioate; (R)-2-aminopentanedioic acid; D-2-Aminoglutarate; D-2-Aminoglutaric acid; D-2-Aminopentanedioate; D-2-Aminopentanedioic acid; D-Glutamate; D-Glutamic acid; D-Glutaminate; D-Glutaminic acid; D-Glutaminsaeure; DGL; Lopac-G-2128; R-(-)-Glutamate; R-(-)-Glutamic acid; Tocris-0217; glutamate;  glutamic acid D-form; Lopac-gamma-2128; delta-2-Aminoglutarate; delta-2-Aminoglutaric acid; delta-2-Aminopentanedioate; delta-2-Aminopentanedioic acid; delta-Glutamate; delta-Glutamic acid; delta-Glutaminate; delta-Glutaminic acid; delta-GlutaminsaeureH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB01897	Substance P	C63H98N18O13S	1346.72815	http://www.hmdb.ca/metabolites/HMDB01897	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB01897	Substance P	C63H98N18O13S	1346.72815	HMDB01897	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04426	undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate [Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate;lipid II;ManNAcA-GlcNAc-PP-lipid;C55-PP-GlcNAc-ManNAcA;ManNAcA-GlcNAc-pyrophosphorylundecaprenol;]	C71H116N2O18P2	1346.769838	NA	metacyc	NA	NA
+HMDB12306	Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate	C71H116N2O18P2	1346.769897	NA	HMDB2010	NA	NA
+HMDB03458	Aquacobalamin	C62H91CoN13O15P	1347.58276	http://www.hmdb.ca/metabolites/HMDB03458	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB03458	Aquacobalamin	C62H91CoN13O15P	1347.58276	http://www.hmdb.ca/metabolites/HMDB03458	HMDB	NA	NA
+HMDB03458	Aquacobalamin	C62H91CoN13O15P	1347.58276	http://www.hmdb.ca/metabolites/HMDB03458	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB03458	Aquacobalamin	C62H91CoN13O15P	1347.58276	HMDB03458	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04427	dolichyl &beta;-D-mannosyl phosphate [dolichol monophosphate mannose;&beta;-D-mannopyranose, 1-ester with dolichol dihydrogen phosphate;D-mannose, ester with dolichol dihydrogen phosphate;mannosyl phosphoryl dolichol;mannolipid;dolichyl mannosyl phosphate;dolichyl mannopyranosyl phosphate;dolichol, &beta;-D-mannopyranose deriv.;dolichyl phosphate D-mannose;dolichyl D-mannosyl phosphate;]	C86H143O9P1	1351.046973	55598-56-6	metacyc	NA	NA
+MetaCyc04428	dolichyl &beta;-D-glucosyl phosphate []	C86H143O9P1	1351.046973	NA	metacyc	NA	NA
+HMDB12218	Dolichyl beta-D-mannosyl phosphate	C86H143O9P	1351.046997	NA	HMDB2010	NA	NA
+3871	vespa-like peptide from R, Erythraea	FLPILGKILGGLL~	1351.881	neuropeptide	Inhouse_peptide	NA	peptide
+7444	coeliac toxic peptide	QGQQGYYPTSPQ	1352.583	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04910	Ganglioside GA1 (d18:1/25:0)	C69H128N2O23	1352.890747	NA	HMDB2010	NA	NA
+HMDB04968	Tetrahexosylceramide (d18:1/25:0)	C69H128N2O23	1352.890747	NA	HMDB2010	NA	NA
+HMDB04910	Ganglioside GA1 (d18:1/25:0)	C69H128N2O23	1352.89075	http://www.hmdb.ca/metabolites/HMDB04910	HMDB	NA	NA
+HMDB04968	Tetrahexosylceramide (d18:1/25:0)	C69H128N2O23	1352.89075	http://www.hmdb.ca/metabolites/HMDB04968	HMDB	NA	NA
+HMDB04910	Ganglioside GA1 (d18:1/25:0)	C69H128N2O23	1352.89075	HMDB04910	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04968	Tetrahexosylceramide (d18:1/25:0)	C69H128N2O23	1352.89075	HMDB04968	PFEM_hmdb_metabocards_official	NA	NA
+C15686	Arthrofactin	C64H111N11O20	1353.8007	NA	KEGG	NA	NA
+7758	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYL~	1354.2295	MH2+	Inhouse_peptide	NA	peptide
+7761	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYL~	1354.2295	MH2+	Inhouse_peptide	NA	peptide
+HMDB00607	Cyanocobalamin	C63H88CoN14O14P	1354.567383	NA	HMDB2010	NA	NA
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	HMDB	NA	NA
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	Inhouse_PFEM	NA	NA
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.567398	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.5674	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.5674	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.5674	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR081	Vitamin B12	C63H88CoN14O14P	1354.5674	Wishlist	Inhousejuil11	NA	NA
+C02823	Cyanocob(III)alamin	C63H88CoN14O14P	1354.5674	NA	KEGG	NA	NA
+MetaCyc04429	cyanocob(III)alamin [cyanocobalamin;rubramin;vitamin B12;alphamine;crystamine;cyanoject;cyomin;cytamen;hydrobexan;rubesol;]	C63H88N14O14P1COBALT1	1354.567405	68-19-9	metacyc	NA	NA
+HMDB00607	Cyanocobalamin	C63H89CoN14O14P	1355.5752	http://www.hmdb.ca/metabolites/HMDB00607	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB00607	Cyanocobalamin	C63H89CoN14O14P	1355.5752	http://www.hmdb.ca/metabolites/HMDB00607	HMDB	NA	NA
+HMDB00607	Cyanocobalamin	C63H89CoN14O14P	1355.5752	http://www.hmdb.ca/metabolites/HMDB00607	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB00607	Cyanocobalamin	C63H89CoN14O14P	1355.5752	HMDB00607	PFEM_hmdb_metabocards_official	NA	NA
+8297	ACE inhibitor	MNVKHWPWMK	1355.6477	NA  ;SYN:(3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-Alanine; 3',5'-diiodothyronine; 3,5-Diiodo-D-thyronine; 3,5-Diiodo-DL-thyronine; 3,5-Diiodo-L-thyronine; 3,5-Diiodo-dl-thryronine; 3,5-Diiodothyronine; DL-3,5-Diiodothyronine; 3,5-T2; 4-(4-Hydroxyphenoxy)-3,5-diiodophenylalanine; D-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; Diiodo-L-thyronine; Diiodothyronine; L-3,5-Diiodothyronine; L-O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; O-(4-hydroxyphenyl)-3,5-diiodo-Tyrosine; DL-DiiodothyronineH2Blood; Urine	Inhouse_peptide	NA	peptide
+7034	synthetic peptide from alpha-gliadin	QGSVQPQQLPQF	1355.667	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04938	Ganglioside GM2 (d18:1/16:0)	C65H117N3O26	1355.79248	http://www.hmdb.ca/metabolites/HMDB04938	HMDB	NA	NA
+HMDB04938	Ganglioside GM2 (d18:1/16:0)	C65H117N3O26	1355.79248	HMDB04938	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04938	Ganglioside GM2 (d18:1/16:0)	C65H117N3O26	1355.79248	NA	HMDB2010	NA	NA
+3067	human endothelin III	CTCFTYKDKECVYYCHLDIIW	1356.5459	MH2+	Inhouse_peptide	NA	peptide
+3138	esculentin	RTGIDIAGCKIKGEC	1356.7568	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11896	Ganglioside GM2 (d18:0/16:0)	C66H120N2O26	1356.812988	NA	HMDB2010	NA	NA
+5511	clavanin D	AFKLLGRIIHHVGNFVYGFSHVFG	1357.21995	MH2+	Inhouse_peptide	NA	peptide
+HMDB12256	Mannosyl-diinositol-phosphorylceramide	C62H121NO26P2	1357.765259	NA	HMDB2010	NA	NA
+3661	NA	LQGCTLRAWRAGMC	1358.7104	ACE inhibitor	Inhouse_peptide	NA	peptide
+2757	rat NP-4 defensin	ACYCRIGACVSGERLTGACGLNGRIYRLCCR	1359.2495	MH2+	Inhouse_peptide	NA	peptide
+3994	f(1-11) of bovine lactoferrin 	APRKNVRWCTI	1359.7059	antioxidative	Inhouse_peptide	NA	peptide
+7726	NA	RIGKMVSFPRIG	1359.7664	antioxidative	Inhouse_peptide	NA	peptide
+5390	dermaseptin B6	ALWKDILKNAGKAALNEINQLVNQG	1360.23975	MH2+	Inhouse_peptide	NA	peptide
+3884	temporin C	LLPILGNLLNGLL~	1360.8678	neuropeptide	Inhouse_peptide	NA	peptide
+2963	maculatin 3,1, from Litoria genimaculata	GLLQTIKEKLESLESLAKGIVSGIQA~	1361.78005	MH2+	Inhouse_peptide	NA	peptide
+HMDB06668	O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Gluc	C51H85N3O39	1363.47607	http://www.hmdb.ca/metabolites/HMDB06668	HMDB	NA	NA
+HMDB06668	O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Gluc	C51H85N3O39	1363.47607	HMDB06668	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06668	O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Gluc	C51H85N3O39	1363.476074	NA	HMDB2010	NA	NA
+HMDB05823	Difucosyllacto-N-hexaose I	C52H88N2O39	1364.49646	http://www.hmdb.ca/metabolites/HMDB05823	HMDB	NA	NA
+HMDB06616	Difucosyl-para-N-hexaose	C52H88N2O39	1364.49646	http://www.hmdb.ca/metabolites/HMDB06616	HMDB	NA	NA
+HMDB06618	Difucosyllactohexaose	C52H88N2O39	1364.49646	http://www.hmdb.ca/metabolites/HMDB06618	HMDB	NA	NA
+HMDB06619	Difucosyllacto-N-hexaose b	C52H88N2O39	1364.49646	http://www.hmdb.ca/metabolites/HMDB06619	HMDB	NA	NA
+HMDB06622	Difucosyllacto-N-hexaose a	C52H88N2O39	1364.49646	http://www.hmdb.ca/metabolites/HMDB06622	HMDB	NA	NA
+HMDB06694	Difucosyllacto-N-hexaose	C52H88N2O39	1364.49646	http://www.hmdb.ca/metabolites/HMDB06694	HMDB	NA	NA
+HMDB05823	Difucosyllacto-N-hexaose I	C52H88N2O39	1364.49646	HMDB05823	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06616	Difucosyl-para-N-hexaose	C52H88N2O39	1364.49646	HMDB06616	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06618	Difucosyllactohexaose	C52H88N2O39	1364.49646	HMDB06618	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06619	Difucosyllacto-N-hexaose b	C52H88N2O39	1364.49646	HMDB06619	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06622	Difucosyllacto-N-hexaose a	C52H88N2O39	1364.49646	HMDB06622	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06694	Difucosyllacto-N-hexaose	C52H88N2O39	1364.49646	HMDB06694	PFEM_hmdb_metabocards_official	NA	NA
+HMDB05823	Difucosyllacto-N-hexaose I	C52H88N2O39	1364.49646	NA	HMDB2010	NA	NA
+HMDB06616	Difucosyl-para-N-hexaose	C52H88N2O39	1364.49646	NA	HMDB2010	NA	NA
+HMDB06618	Difucosyllactohexaose	C52H88N2O39	1364.49646	NA	HMDB2010	NA	NA
+HMDB06619	Difucosyllacto-N-hexaose b	C52H88N2O39	1364.49646	NA	HMDB2010	NA	NA
+HMDB06622	Difucosyllacto-N-hexaose a	C52H88N2O39	1364.49646	NA	HMDB2010	NA	NA
+HMDB06694	Difucosyllacto-N-hexaose	C52H88N2O39	1364.49646	NA	HMDB2010	NA	NA
+3894	temporin H	LSPVIGNLLKSLL~	1364.8619	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB04907	Ganglioside GA1 (d18:1/26:1(17Z))	C70H128N2O23	1364.890747	NA	HMDB2010	NA	NA
+HMDB04965	Tetrahexosylceramide (d18:1/26:1(17Z))	C70H128N2O23	1364.890747	NA	HMDB2010	NA	NA
+HMDB04907	Ganglioside GA1 (d18:1/26:1(17Z))	C70H128N2O23	1364.89075	http://www.hmdb.ca/metabolites/HMDB04907	HMDB	NA	NA
+HMDB04965	Tetrahexosylceramide (d18:1/26:1(17Z))	C70H128N2O23	1364.89075	http://www.hmdb.ca/metabolites/HMDB04965	HMDB	NA	NA
+HMDB04907	Ganglioside GA1 (d18:1/26:1(17Z))	C70H128N2O23	1364.89075	HMDB04907	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04965	Tetrahexosylceramide (d18:1/26:1(17Z))	C70H128N2O23	1364.89075	HMDB04965	PFEM_hmdb_metabocards_official	NA	NA
+7805	ACE inhibitor from as2-casein	ALNEINQFYQK	1366.6738	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB04908	Ganglioside GA1 (d18:1/26:0)	C70H130N2O23	1366.90649	http://www.hmdb.ca/metabolites/HMDB04908	HMDB	NA	NA
+HMDB04966	Tetrahexosylceramide (d18:1/26:0)	C70H130N2O23	1366.90649	http://www.hmdb.ca/metabolites/HMDB04966	HMDB	NA	NA
+HMDB04908	Ganglioside GA1 (d18:1/26:0)	C70H130N2O23	1366.90649	HMDB04908	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04966	Tetrahexosylceramide (d18:1/26:0)	C70H130N2O23	1366.90649	HMDB04966	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04908	Ganglioside GA1 (d18:1/26:0)	C70H130N2O23	1366.906494	NA	HMDB2010	NA	NA
+HMDB04966	Tetrahexosylceramide (d18:1/26:0)	C70H130N2O23	1366.906494	NA	HMDB2010	NA	NA
+C11469	Calicheamicin gamma(1)I	C55H74IN3O21S4	1367.2742	NA	KEGG	NA	NA
+3759	NA	GLLRRLRDFLKKIGEKFKKIGYG	1367.31445	MH2+	Inhouse_peptide	NA	peptide
+3890	temporin F	FLPLIGKVLSGIL~	1367.876	neuropeptide	Inhouse_peptide	NA	peptide
+8148	peptide derived from rice bran proteins (Oryza sativa)	YFPVGGDRPESF	1369.6149	ACE inhibitor	Inhouse_peptide	NA	peptide
+3271	NA	VTGRGDSPASSKPI	1370.7	celiac toxic	Inhouse_peptide	NA	peptide
+3249	bombinin	GIFFALLSAAKVGLKGLAKGLAEHFAN	1371.2694	MH2+	Inhouse_peptide	NA	peptide
+7028	synthetic peptide from alpha-gliadin	QKQQQQPSSQVS	1371.658	antioxidative	Inhouse_peptide	NA	peptide
+5448	caeridin 7,1	GLLDMVTGLLGNLG	1371.7292	ACE inhibitor	Inhouse_peptide	NA	peptide
+2903	neuropeptide from eyestalk of Macrobrachium rosenb	ANRSPSLRLRFG	1372.7559	antibacterial	Inhouse_peptide	NA	peptide
+7766	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYL~	1373.194	MH2+	Inhouse_peptide	NA	peptide
+7769	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYL~	1373.194	MH2+	Inhouse_peptide	NA	peptide
+5526	hepcidin 20 (LEAP-1)	ICIFCCGCCHRSKCGMCCKT	1373.7444	antioxidative	Inhouse_peptide	NA	peptide
+C12131	Anemone blue anthocyanin 2	C60H63O37	1375.3048	NA	KEGG	NA	NA
+FL7AAGGA0013	Delphinidin 3-O-[2-O-(2-O-(trans-caffeoyl)-beta-D-glucopyranosyl)-6-O-(malonyl)-beta-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-beta-D-glucopyranoside]-3'-O-[beta-D-glucuronopyranoside]	C60H63O37	1375.3048	462122-45-8	knapsack	NA	NA
+3886	temporin D	LLPIVGNLLNSLL~	1376.8628	neuropeptide	Inhouse_peptide	NA	peptide
+3888	temporin E	VLPIIGNLLNSLL~	1376.8628	neuropeptide	Inhouse_peptide	NA	peptide
+7002	synthetic peptide from alpha-gliadin	PSQQQPQEQVPL	1377.672	antioxidative	Inhouse_peptide	NA	peptide
+7004	synthetic peptide from alpha-gliadin	VQQQQPLGQQQP	1377.683	antioxidative	Inhouse_peptide	NA	peptide
+7005	synthetic peptide from alpha-gliadin	VQQQQPLGQQQP	1377.683	antioxidative	Inhouse_peptide	NA	peptide
+2822	PEP inhibitor	PPPPGGPQPRPPQG	1377.696	NA	Inhouse_peptide	NA	peptide
+3072	human defensin HNP-2	CYCRIPACIAGERRYGTCIYQGRLWAFCC	1378.2245	MH2+	Inhouse_peptide	NA	peptide
+3824	NA	KLKLLLLLKLKG	1378.985	ACE inhibitor	Inhouse_peptide	NA	peptide
+5374	dermaseptin B5	GLWNKIKEAASKAAGKAALGFVNEMVG	1379.7296	MH2+	Inhouse_peptide	NA	peptide
+C08967	Phaseoloside D	C65H104O31	1380.6562	NA	KEGG	NA	NA
+HMDB11910	Ganglioside GM2 (d18:1/18:1(11Z))	C68H120N2O26	1380.812988	NA	HMDB2010	NA	NA
+3035	isracidin	RPKHPIKHQGLPQEVLNENLLRF	1381.2624	MH2+	Inhouse_peptide	NA	peptide
+8171	isracidin - peptide derived from aS1-casein (1-23)	RPKHPIKHQGLPQEVLNENLLRF	1381.2624	MH2+	Inhouse_peptide	NA	peptide
+HMDB05176	Dolichol-20	C100H164O	1381.278198	NA	HMDB2010	NA	NA
+HMDB05176	Dolichol-20	C100H164O	1381.2782	http://www.hmdb.ca/metabolites/HMDB05176	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB05176	Dolichol-20	C100H164O	1381.2782	http://www.hmdb.ca/metabolites/HMDB05176	HMDB	NA	NA
+HMDB05176	Dolichol-20	C100H164O	1381.2782	http://www.hmdb.ca/metabolites/HMDB05176	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB05176	Dolichol-20	C100H164O	1381.2782	HMDB05176	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04937	Ganglioside GM2 (d18:1/9Z-18:1)	C67H119N3O26	1381.808228	NA	HMDB2010	NA	NA
+HMDB04937	Ganglioside GM2 (d18:1/9Z-18:1)	C67H119N3O26	1381.80823	http://www.hmdb.ca/metabolites/HMDB04937	HMDB	NA	NA
+HMDB04937	Ganglioside GM2 (d18:1/9Z-18:1)	C67H119N3O26	1381.80823	HMDB04937	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11898	Ganglioside GM2 (d18:0/18:1(11Z))	C68H122N2O26	1382.828613	NA	HMDB2010	NA	NA
+HMDB11899	Ganglioside GM2 (d18:0/18:1(9Z))	C68H122N2O26	1382.828613	NA	HMDB2010	NA	NA
+7759	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYLG	1383.232	MH2+	Inhouse_peptide	NA	peptide
+7760	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYLG	1383.232	MH2+	Inhouse_peptide	NA	peptide
+7800	ACE inhibitor from alpha s1-casein	FFVAPFPEVFGK	1383.706	ACE inhibitor	Inhouse_peptide	NA	peptide
+8311	Anticancer peptide	FFVAPFPEVFGK	1383.706	Aliphatic glycine conjugates  ;SYN:2-(3-methylbutanoylamino)ethanoate; 2-(3-methylbutanoylamino)ethanoic acid; Isovalerylglycine; N-Isovaleroylglycine; N-isovaleryl-glycine; [(3-methylbutanoyl)amino]acetate; [(3-methylbutanoyl)amino]acetic acid;3-methylbutyrylglycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB04939	Ganglioside GM2 (d18:1/18:0)	C67H121N3O26	1383.82385	http://www.hmdb.ca/metabolites/HMDB04939	HMDB	NA	NA
+HMDB04939	Ganglioside GM2 (d18:1/18:0)	C67H121N3O26	1383.82385	HMDB04939	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04939	Ganglioside GM2 (d18:1/18:0)	C67H121N3O26	1383.823853	NA	HMDB2010	NA	NA
+HMDB11897	Ganglioside GM2 (d18:0/18:0)	C68H124N2O26	1384.844238	NA	HMDB2010	NA	NA
+3337	human beta-casein fr, 50-61	HPFAQTQSLVYP	1386.677	celiac toxic	Inhouse_peptide	NA	peptide
+3227	Bradykinin-potentiating peptide	EGGWPRPGPEIPP	1387.671	celiac toxic	Inhouse_peptide	NA	peptide
+7019	synthetic peptide from alpha-gliadin	LQQHNIAHGRSQ	1387.6919	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04911	Ganglioside GD3 (d18:1/12:0)	C64H113N3O29	1387.74597	http://www.hmdb.ca/metabolites/HMDB04911	HMDB	NA	NA
+HMDB04911	Ganglioside GD3 (d18:1/12:0)	C64H113N3O29	1387.74597	HMDB04911	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04911	Ganglioside GD3 (d18:1/12:0)	C64H113N3O29	1387.745972	NA	HMDB2010	NA	NA
+3194	crabolin-like from skin of frog Rana esculenta	FLPAIAGILSQLF~	1387.809	celiac toxic	Inhouse_peptide	NA	peptide
+5414	dermaseptin 4	ALWMTLLKKVLKAAAKALNAVLVGANA	1388.82655	MH2+	Inhouse_peptide	NA	peptide
+FL7AACGL0100	Cyanidin 3-O-[2-O-(6-O-E-coumaroyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-coumaroyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside	C66H69O33	1389.3721	651731-55-4	knapsack	NA	NA
+FL7AAGGL0033	Delphinidin 3-glucoside-7,3',5'-tri(6-O-p-coumaroyl-beta-glucoside)	C66H69O33	1389.3721	395680-64-5	knapsack	NA	NA
+HMDB11856	Ganglioside GD3 (d18:0/12:0)	C64H115N3O29	1389.761597	NA	HMDB2010	NA	NA
+2933	NA	RSSCFGGRIDRIGAC	1390.7299	celiac toxic	Inhouse_peptide	NA	peptide
+2964	maculatin 3,1, from Litoria genimaculata	GLLQTIKEKLESLESLAKGIVSGIQAG	1390.78245	MH2+	Inhouse_peptide	NA	peptide
+3882	temporin B	LLPIVGNLLKSLL~	1390.9139	neuropeptide	Inhouse_peptide	NA	peptide
+3896	temporin K	LLPVIGNLLKSLL~	1390.9139	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB06677	Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc	C53H89N3O39	1391.50732	http://www.hmdb.ca/metabolites/HMDB06677	HMDB	NA	NA
+HMDB06677	Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc	C53H89N3O39	1391.50732	HMDB06677	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06677	Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc	C53H89N3O39	1391.507324	NA	HMDB2010	NA	NA
+7001	synthetic peptide from alpha-gliadin	QLQPQNPSQQQP	1391.6629	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04430	dolichyl N-acetyl-&alpha;-D-glucosaminyl phosphate []	C88H146N1O9P1	1392.073522	NA	metacyc	NA	NA
+7036	synthetic peptide from alpha-gliadin	EEIRNLALQTLP	1395.7579	antioxidative	Inhouse_peptide	NA	peptide
+7781	peptide from human immunodefficiency virus-1*	GRKKRRQRRR	1395.873	antioxidative	Inhouse_peptide	NA	peptide
+3880	temporin A	FLPLIGRVLSGIL~	1395.8829	neuropeptide	Inhouse_peptide	NA	peptide
+5384	Brevinin-2ED	GILDSLKNLAKNAGQILLNKASCKLSGQC	1396.7948	MH2+	Inhouse_peptide	NA	peptide
+C04724	D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid	C73H122O21P2	1396.7954	NA	KEGG	NA	NA
+C04725	Oligosaccharide containing 6-methyl-D-glucose units	C73H122O21P2	1396.7954	NA	KEGG	NA	NA
+C04726	[3-Methyl-2-oxobutanoate dehydrogenase	C4H6N2O3R2	1396.7954	NA	KEGG	NA	NA
+C04727	[Propionyl-CoA:carbon-dioxide ligase (ADP-forming)]	C17H27N5O4SR2	1396.7954	NA	KEGG	NA	NA
+C04728	tRNA containing 5-methylaminomethyl-2-thiouridylate	C11H18N3O8PS	1396.7954	NA	KEGG	NA	NA
+3439	NA	KWKLFKKIGIGAVLKVLTTGLPALIS	1396.87	MH2+	Inhouse_peptide	NA	peptide
+7014	synthetic peptide from alpha-gliadin	PQYSQPQQPISQ	1399.657	antioxidative	Inhouse_peptide	NA	peptide
+3193	crabolin-like from skin of frog Rana esculenta	FLPLAIGLLGKLF~	1399.881	celiac toxic	Inhouse_peptide	NA	peptide
+3876	vespa-like peptide from R, Esculenta	FLPLIAGLLGKLF~	1399.881	neuropeptide	Inhouse_peptide	NA	peptide
+3055	phosphopeptide b-casein fragment 1-25	RELEELNVPGEIVESLSSSEESITR	1400.6875	MH2+	Inhouse_peptide	NA	peptide
+2697	NA	GRVRDQIMLSLGG	1400.7423	celiac toxic	Inhouse_peptide	NA	peptide
+7780	peptide from Rhinovirus-2, VP-protein	NPVENYIDEVLNEVLVVPNINSSNC	1401.65865	MH2+	Inhouse_peptide	NA	peptide
+3660	NA	EIPKTITGSETNL	1401.7189	ACE inhibitor	Inhouse_peptide	NA	peptide
+3672	NA	CMGLSLRPWMLCAK	1401.7488	ACE inhibitor	Inhouse_peptide	NA	peptide
+7767	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYLG	1402.1965	MH2+	Inhouse_peptide	NA	peptide
+7768	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYLG	1402.1965	MH2+	Inhouse_peptide	NA	peptide
+7788	de novo designed peptide	GALFLGFLGAAGSTMGAWSQPKKKRKV	1402.7632	MH2+	Inhouse_peptide	NA	peptide
+2675	substance P	RPKPQQFFGLMG	1404.7174	NA	Inhouse_peptide	NA	peptide
+MetaCyc04431	lipid IVA [2,3,2'3'-Tetrakis(&beta;-hydroxymyristoyl)-D-glucosaminyl-1,6-&beta;-D-glucosamine 1,4'-bisphosphate;2,3,2',3'-tetrakis(3-hydroxymyristoyl)-D-glucosaminyl-1,6-&beta;-D-glucosamine 1,4'-bisphosphate;2,3,2',3'-tetrakis-(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-&beta;-D-glucosamine-1,4'-bisphosphate;[2-N,3-O-bis(3-hydroxytetradecanoyl)-4-O-phosphono-&beta;-D-glucosaminyl]-(1 => 6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-&beta;-D-glucosaminyl phosphate];]	C68H130N2O23P2	1404.853962	NA	metacyc	NA	NA
+C04919	2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-	C68H130N2O23P2	1404.854	NA	KEGG	NA	NA
+C04920	6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-	C22H36O22SR2	1404.854	NA	KEGG	NA	NA
+C04922	beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-	C45H79N2O23R	1404.854	NA	KEGG	NA	NA
+FL7AAGGL0058	Preternatin A3	C63H73O36	1405.3881	215378-82-8	knapsack	NA	NA
+7026	synthetic peptide from alpha-gliadin	HNVVHAIILHQQ	1407.7579	antioxidative	Inhouse_peptide	NA	peptide
+3572	NA	FHSGIQSEPKAIP	1409.714	ACE inhibitor	Inhouse_peptide	NA	peptide
+8289	Antioxidative peptide	GPLGLLGFLGPLGLS	1409.813	NA  ;SYN:(3R)-LS-Isoleucine; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoate; 2-amino-3-methyl-[S-(R*,S*)]-Pentanoic acid; Allo-L-Isoleucine; Allo-Isoleucine; L(+)-Alloisoleucine; L-allo-Isoleucine; L-alloisoleucine; [S-(R*,S*)]-2-Amino-3-methylpentanoate; [S-(R*,S*)]-2-Amino-3-methylpentanoic acid; threo-3-methyl-L-Norvaline; threo-L-Isoleucine; (2S,3R)-2-amino-3-methylpentanoic acid; (2S,3R)-2-amino-3-methylpentanoateH2Blood	Inhouse_peptide	NA	peptide
+8290	ACE inhibitor	GPLGLLGFLGPLGLS	1409.813	NA  ;SYN:4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxypentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-Pyridinium  inner salt stereoisomer; deoxipyridinoline; deoxy-pyridinoline; deoxypiridinoline; deoxypirydynoline; deoxypyridinolone; deoxypyridoline; desoxypyridinoline; Lysylpyridinoline; N-(5-Amino-5-carboxypentyl)-3-hydroxy-4-(2-amino-2-carboxyethyl)-5-(3-amino-3-carboxypropyl)pyridineH2Blood; Urine	Inhouse_peptide	NA	peptide
+3872	vespa-like peptide from R, Erythraea	FLPILGKILGGLLG	1409.886	neuropeptide	Inhouse_peptide	NA	peptide
+3076	hirudin (55-65)	DFEEIPEEYLQ	1410.6039	celiac toxic	Inhouse_peptide	NA	peptide
+7022	synthetic peptide from alpha-gliadin	YQLLQELCQQHL	1411.731	antioxidative	Inhouse_peptide	NA	peptide
+3005	kinases inhibitor	KKALARQEAVDAL	1411.7999	anticancer	Inhouse_peptide	NA	peptide
+3019	kinases inhibitor	KKALRAQEAVDAL	1411.7999	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04940	Ganglioside GM2 (d18:1/20:0)	C69H125N3O26	1411.8551	http://www.hmdb.ca/metabolites/HMDB04940	HMDB	NA	NA
+HMDB04940	Ganglioside GM2 (d18:1/20:0)	C69H125N3O26	1411.8551	HMDB04940	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04940	Ganglioside GM2 (d18:1/20:0)	C69H125N3O26	1411.855103	NA	HMDB2010	NA	NA
+7007	synthetic peptide from alpha-gliadin	YPQPQPFPSQQP	1412.655	antioxidative	Inhouse_peptide	NA	peptide
+7467	coeliac toxic peptide	PQPQPFPSQQPY	1412.655	antioxidative	Inhouse_peptide	NA	peptide
+5452	caeridin 5	GLLGMVGSLLGGLGLG	1412.7914	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11900	Ganglioside GM2 (d18:0/20:0)	C70H128N2O26	1412.875488	NA	HMDB2010	NA	NA
+3945	mytilin A from Mytilum edulis	GCASRCKAKCAGRRCJGWASASFRGRCYCKCFRC	1413.2655	MH2+	Inhouse_peptide	NA	peptide
+3073	human defensin HNP-1	ACYCRIPACIAGERRYGTCIYQGRLWAFCC	1413.74305	MH2+	Inhouse_peptide	NA	peptide
+C06854	Bleomycin A2	C55H84N17O21S3	1414.519	NA	KEGG	NA	NA
+HMDB11871	Ganglioside GD3 (d18:1/14:0)	C66H117N3O29	1415.777222	NA	HMDB2010	NA	NA
+HMDB11857	Ganglioside GD3 (d18:0/14:0)	C66H119N3O29	1417.792969	NA	HMDB2010	NA	NA
+3885	temporin C	LLPILGNLLNGLLG	1418.8728	neuropeptide	Inhouse_peptide	NA	peptide
+5415	dermaseptin 5	GLWSKIKTAGKSVAKAAAKAAVKAVTNAV	1419.32945	MH2+	Inhouse_peptide	NA	peptide
+7790	de novo designed peptide from transportan	GWTLNSAGYLLGKINLKALAALAKKIL	1419.8434	MH2+	Inhouse_peptide	NA	peptide
+5437	lycotoxin 1	IWLTALKFLGKHAAKHLAKQQLSKL	1421.34255	MH2+	Inhouse_peptide	NA	peptide
+FL7AACGL0099	Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside	C66H69O35	1421.3619	651731-54-3	knapsack	NA	NA
+C15482	Bacitracin A	C66H103N17O16S	1421.7489	NA	KEGG	NA	NA
+C15483	D-Galactonolactone	C66H103N17O16S	1421.7489	NA	KEGG	NA	NA
+7000	synthetic peptide from alpha-gliadin	VRFPVPQLQPQN	1421.7619	antioxidative	Inhouse_peptide	NA	peptide
+2948	mellitin from venom of honey bee(Apis mellifera)	GIGAVLKVLTTGLPALISWIKRKRQQ~	1422.36695	MH2+	Inhouse_peptide	NA	peptide
+2949	mellitin from venom of honey bee(Apis mellifera)	GIGAVLKVLTTGLPALISWIKRKRQQ~	1422.36695	MH2+	Inhouse_peptide	NA	peptide
+C08889	Capsicoside A	C63H106O35	1422.6515	NA	KEGG	NA	NA
+7006	synthetic peptide from alpha-gliadin	FPPQQPYPQPQP	1422.675	antioxidative	Inhouse_peptide	NA	peptide
+7015	synthetic peptide from alpha-gliadin	QQPISQQILQQI	1422.768	antioxidative	Inhouse_peptide	NA	peptide
+7785	peptide from honey bee venom	GIGAVLKVLTTGLPALISWIKRKRQQ	1422.859	MH2+	Inhouse_peptide	NA	peptide
+3895	temporin H	LSPVIGNLLKSLLG	1422.8669	neuropeptide	Inhouse_peptide	NA	peptide
+3897	temporin K	LLPVIGNLLKSSLG	1422.8669	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB10245	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	C79H140O17P2	1422.956543	NA	HMDB2010	NA	NA
+FL7AACGL0082	Cyanidin 3-(6-malonylglucoside)-7,3'-bis[6-(4-glucosyl-p-hydroxybenzoyl)glucoside]	C62H71O38	1423.3623	159690-24-1	knapsack	NA	NA
+C13896	sn-Caldarchaeo-1-phosphoethanolamine	C88H178NO9P	1424.3239	NA	KEGG	NA	NA
+C01895	Bleomycin B2	C55H84N20O21S2	1424.5561	NA	KEGG	NA	NA
+7730	NA	TYRKPPFNGSIF~	1424.7409	antioxidative	Inhouse_peptide	NA	peptide
+HMDB10237	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))	C79H142O17P2	1424.972168	NA	HMDB2010	NA	NA
+HMDB10241	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))	C79H142O17P2	1424.972168	NA	HMDB2010	NA	NA
+HMDB10244	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)	C79H142O17P2	1424.972168	NA	HMDB2010	NA	NA
+2992	kinases inhibitor	KKALRRQECVDAL	1425.8269	anticancer	Inhouse_peptide	NA	peptide
+HMDB10229	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:1(9Z))	C79H144O17P2	1426.987915	NA	HMDB2010	NA	NA
+HMDB10231	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:1(9Z))	C79H144O17P2	1426.987915	NA	HMDB2010	NA	NA
+HMDB10233	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:1(9Z))	C79H144O17P2	1426.987915	NA	HMDB2010	NA	NA
+HMDB10235	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:1(9Z))	C79H144O17P2	1426.987915	NA	HMDB2010	NA	NA
+HMDB10236	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/16:0)	C79H144O17P2	1426.987915	NA	HMDB2010	NA	NA
+HMDB10240	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:0)	C79H144O17P2	1426.987915	NA	HMDB2010	NA	NA
+7013	synthetic peptide from alpha-gliadin	PYPQPQPQYSQP	1428.65	antioxidative	Inhouse_peptide	NA	peptide
+7674	ACE inhibitor from b-CN (47-59), mouse	VHSSIQSQPQAFT	1428.684	antioxidative	Inhouse_peptide	NA	peptide
+3644	stimulating g-interferon production peptide	PQPFPSQQPYLQ	1428.687	ACE inhibitor	Inhouse_peptide	NA	peptide
+7010	synthetic peptide from alpha-gliadin	FPQPQLPYSQPQ	1428.687	antioxidative	Inhouse_peptide	NA	peptide
+5453	caeridin 6	GLLGFVGSLLGGLGIG	1428.819	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB10228	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)/16:0)	C79H146O17P2	1429.00354	NA	HMDB2010	NA	NA
+HMDB10230	CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:0)	C79H146O17P2	1429.00354	NA	HMDB2010	NA	NA
+HMDB10232	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z)/16:0)	C79H146O17P2	1429.00354	NA	HMDB2010	NA	NA
+HMDB10234	CL(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z)/16:0)	C79H146O17P2	1429.00354	NA	HMDB2010	NA	NA
+5485	ceratotoxin B	SIGSAFKKALPVAKKIGKAALPIAKAALP	1429.381	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04432	N4-{N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,3)-[N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1,4)-N-acetyl-&beta;-D-glucosaminyl-(1,4)-N-acetyl-&beta;-D-glucosaminyl}asparagine [GnGn-glycopeptide;GnGn-GP;]	C54H90N6O38	1430.529453	NA	metacyc	NA	NA
+5400	brevinin-2EE	GIFDKLKNFAKGVAQSLLNKASCKLSGQC	1430.7964	MH2+	Inhouse_peptide	NA	peptide
+2700	somatostatin	AGCKNFFWKTFTSC	1432.6979	antibacterial	Inhouse_peptide	NA	peptide
+5509	ceratotoxin A	SIGSALKKALPVAKKIGKIALPIAKAALP	1433.4125	MH2+	Inhouse_peptide	NA	peptide
+3866	vespa-like peptide from R, Erythraea	FLPILGKIAGFLF~	1433.865	neuropeptide	Inhouse_peptide	NA	peptide
+3887	temporin D	LLPIVGNLLNSLLG	1434.8678	neuropeptide	Inhouse_peptide	NA	peptide
+3889	temporin E	VLPIIGNLLNSLLG	1434.8678	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB06676	Disialyllacto-N-fucopentaose II	C54H89N3O41	1435.49719	http://www.hmdb.ca/metabolites/HMDB06676	HMDB	NA	NA
+HMDB06676	Disialyllacto-N-fucopentaose II	C54H89N3O41	1435.49719	HMDB06676	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06676	Disialyllacto-N-fucopentaose II	C54H89N3O41	1435.497192	NA	HMDB2010	NA	NA
+3071	human defensin HNP-3	DCYCRIPACIAGERRYGTCIYQGRLWAFCC	1435.7379	MH2+	Inhouse_peptide	NA	peptide
+HMDB11911	Ganglioside GM2 (d18:1/22:1(13Z))	C72H128N2O26	1436.875488	NA	HMDB2010	NA	NA
+HMDB06691	p-Lacto-N-octaose	C54H91N3O41	1437.512817	NA	HMDB2010	NA	NA
+HMDB06691	para-Lacto-N-octaose	C54H91N3O41	1437.51282	http://www.hmdb.ca/metabolites/HMDB06691	HMDB	NA	NA
+HMDB06691	para-Lacto-N-octaose	C54H91N3O41	1437.51282	HMDB06691	PFEM_hmdb_metabocards_official	NA	NA
+8253	Antioxidative peptide	LEELEEELEGCE	1437.567	Tripeptides  ;SYN:(+)-Pantothenate; (+)-Pantothenic acid; (D)-(+)-Pantothenate; (D)-(+)-Pantothenic acid; Chick antidermatitis factor; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine; D-Pantothenate; D-Pantothenic acid; Pantothenate; Vitamin B5; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; delta-Pantothenate; delta-Pantothenic acid; (R)-pantothenateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+3011	kinases inhibitor	KKALRRQAAVDAL	1438.8589	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11902	Ganglioside GM2 (d18:0/22:1(13Z))	C72H130N2O26	1438.891235	NA	HMDB2010	NA	NA
+2999	kinases inhibitor	AKALRRQEAVDAL	1439.8069	anticancer	Inhouse_peptide	NA	peptide
+3001	kinases inhibitor	KAALRRQEAVDAL	1439.8069	anticancer	Inhouse_peptide	NA	peptide
+2998	kinases inhibitor	KKALRRAEAVDAL	1439.8429	anticancer	Inhouse_peptide	NA	peptide
+HMDB04941	Ganglioside GM2 (d18:1/22:0)	C71H129N3O26	1439.88647	http://www.hmdb.ca/metabolites/HMDB04941	HMDB	NA	NA
+HMDB04941	Ganglioside GM2 (d18:1/22:0)	C71H129N3O26	1439.88647	HMDB04941	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04941	Ganglioside GM2 (d18:1/22:0)	C71H129N3O26	1439.886475	NA	HMDB2010	NA	NA
+2984	kinases inhibitor	KKAGRRQEAVDAL	1440.8009	anticancer	Inhouse_peptide	NA	peptide
+HMDB11901	Ganglioside GM2 (d18:0/22:0)	C72H132N2O26	1440.90686	NA	HMDB2010	NA	NA
+C17626	Cinnamtannin A3	C75H62O30	1442.3326	NA	KEGG	NA	NA
+C17627	Prenyl diphosphate	C75H62O30	1442.3326	NA	KEGG	NA	NA
+C17628	Prenol	C75H62O30	1442.3326	NA	KEGG	NA	NA
+2694	NA	GGCTLREWLHGGFCGG	1442.689	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04913	Ganglioside GD3 (d18:1/16:0)	C68H121N3O29	1443.80859	http://www.hmdb.ca/metabolites/HMDB04913	HMDB	NA	NA
+HMDB04913	Ganglioside GD3 (d18:1/16:0)	C68H121N3O29	1443.80859	HMDB04913	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04913	Ganglioside GD3 (d18:1/16:0)	C68H121N3O29	1443.808594	NA	HMDB2010	NA	NA
+7774	phosphophoryn biomimetic peptide	DSKSDSSKSESDSS	1444.5667	antioxidative	Inhouse_peptide	NA	peptide
+C13429	Meglumine sodium amidotrizoate	C11H9I3N2O4	1444.6319	NA	KEGG	NA	NA
+C13430	Transferred to D01941	C11H9I3N2O4	1444.6319	NA	KEGG	NA	NA
+7727	NA	PGANSGGMWFGPRL~	1444.6883	antioxidative	Inhouse_peptide	NA	peptide
+7008	synthetic peptide from alpha-gliadin	FPSQQPYLQLQP	1444.719	antioxidative	Inhouse_peptide	NA	peptide
+3919	aurein 1,1	GLFDIIKKIAESI~	1444.8508	neuropeptide	Inhouse_peptide	NA	peptide
+C15711	Balhimycin	C66H73Cl2N9O24	1445.4146	NA	KEGG	NA	NA
+7030	synthetic peptide from alpha-gliadin	FQQPLQQYPLGQ	1445.714	antioxidative	Inhouse_peptide	NA	peptide
+3192	crabolin-like from skin of frog Rana esculenta	FLPAIAGILSQLFG	1445.814	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11858	Ganglioside GD3 (d18:0/16:0)	C68H123N3O29	1445.824219	NA	HMDB2010	NA	NA
+HMDB10248	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))	C81H140O17P2	1446.956543	NA	HMDB2010	NA	NA
+HMDB10249	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))	C81H140O17P2	1446.956543	NA	HMDB2010	NA	NA
+C06689	Vancomycin	C66H75Cl2N9O24	1447.4302	NA	KEGG	NA	NA
+7461	coeliac toxic peptide	VQQQIPVVQPSIL	1447.824	antioxidative	Inhouse_peptide	NA	peptide
+2638	synthetic fr, of human beta-CN (41-52) ACE inhibitor	YPSFQPQPLIYP	1448.718	NA	Inhouse_peptide	NA	peptide
+7021	synthetic peptide from alpha-gliadin	VLQQSTYQLLQE	1448.736	antioxidative	Inhouse_peptide	NA	peptide
+3883	temporin B	LLPIVGNLLKSLLG	1448.9189	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB10692	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C81H142O17P2	1448.972168	NA	HMDB2010	NA	NA
+HMDB10246	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	C81H144O17P2	1450.987915	NA	HMDB2010	NA	NA
+HMDB10247	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	C81H144O17P2	1450.987915	NA	HMDB2010	NA	NA
+2950	mellitin from venom of honey bee(Apis mellifera)	GIGAVLKVLTTGLPALISWIKRKRQQG	1451.3695	MH2+	Inhouse_peptide	NA	peptide
+8162	antimicrobial peptide derived from b-casein (184-210)	QELLLNPTHQYPVTQPLAPVHNPISV	1452.2639	MH2+	Inhouse_peptide	NA	peptide
+3016	kinases inhibitor	KKALRRQEAVAAL	1452.874	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11912	Ganglioside GM2 (d18:1/23:0)	C73H132N2O26	1452.90686	NA	HMDB2010	NA	NA
+HMDB10238	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	C81H146O17P2	1453.00354	NA	HMDB2010	NA	NA
+HMDB10239	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	C81H146O17P2	1453.00354	NA	HMDB2010	NA	NA
+HMDB10242	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	C81H146O17P2	1453.00354	NA	HMDB2010	NA	NA
+HMDB10243	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	C81H146O17P2	1453.00354	NA	HMDB2010	NA	NA
+3881	temporin A	FLPLIGRVLSGILG	1453.8879	neuropeptide	Inhouse_peptide	NA	peptide
+3004	kinases inhibitor	KKAARRQEAVDAL	1454.8169	anticancer	Inhouse_peptide	NA	peptide
+3014	kinases inhibitor	KKALRRQEAGDAL	1454.8169	celiac toxic	Inhouse_peptide	NA	peptide
+3025	kinases inhibitor	KKALRRQEAVDAA	1454.8169	celiac toxic	Inhouse_peptide	NA	peptide
+3441	NA	KWKKFIKELQKVLAPGGLLSNIVTSL	1454.8629	MH2+	Inhouse_peptide	NA	peptide
+HMDB11903	Ganglioside GM2 (d18:0/23:0)	C73H134N2O26	1454.922485	NA	HMDB2010	NA	NA
+HMDB10226	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))	C81H148O17P2	1455.019165	NA	HMDB2010	NA	NA
+HMDB10227	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))	C81H148O17P2	1455.019165	NA	HMDB2010	NA	NA
+7433	coeliac toxic peptide	QLQPFPEPQLPY	1455.723	antioxidative	Inhouse_peptide	NA	peptide
+7434	coeliac toxic peptide	QLQPFPQPELPY	1455.723	antioxidative	Inhouse_peptide	NA	peptide
+3438	NA	KWKSFIKNLEKVLKPGGLLSNIVTSL	1455.8529	MH2+	Inhouse_peptide	NA	peptide
+3442	NA	KWKEFIKKLTTAVKKVLTTGLPALIS	1456.38	MH2+	Inhouse_peptide	NA	peptide
+C08978	Senegin II	C70H104O32	1456.6511	NA	KEGG	NA	NA
+3892	temporin G	FFPVIGRILNGIL~	1456.8779	neuropeptide	Inhouse_peptide	NA	peptide
+3873	vespa-like peptide from R, Esculenta	FLPILGKILGQLF~	1456.902	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB10690	CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(11Z))	C81H150O17P2	1457.03479	NA	HMDB2010	NA	NA
+HMDB10691	CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z))	C81H150O17P2	1457.03479	NA	HMDB2010	NA	NA
+3195	crabolin-like from skin of frog Rana esculenta	FLPLAIGLLGKLFG	1457.886	celiac toxic	Inhouse_peptide	NA	peptide
+3877	vespa-like peptide from R, Esculenta	FLPLIAGLLGKLFG	1457.886	neuropeptide	Inhouse_peptide	NA	peptide
+7069	coeliac toxic peptide	FSQPQQQFPQPQ	1458.672	antioxidative	Inhouse_peptide	NA	peptide
+3229	bovine lactoferricin B (LF-B)	FKCRRWQWRMKKLGAPSITCVRRAF	1458.8207	MH2+	Inhouse_peptide	NA	peptide
+7051	Lactoferricin B, bovine (Bos taurus)	FKCRRWQWRMKKLGAPSITCVRRAF	1458.8207	MH2+	Inhouse_peptide	NA	peptide
+3640	NA	LGQQQPFPPQQPYPQPQPFPSQQPY	1460.69445	MH2+	Inhouse_peptide	NA	peptide
+7468	coeliac toxic peptide	LGQQQPFPPQQPYPQPQPFPSQQPY	1460.6945	MH2+	Inhouse_peptide	NA	peptide
+HMDB04853	Ganglioside GM1 (18:1/12:0)	C67H119N3O31	1461.78271	http://www.hmdb.ca/metabolites/HMDB04853	HMDB	NA	NA
+HMDB04853	Ganglioside GM1 (18:1/12:0)	C67H119N3O31	1461.78271	HMDB04853	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04853	Ganglioside GM1 (18:1/12:0)	C67H119N3O31	1461.782715	NA	HMDB2010	NA	NA
+3645	stimulating g-interferon production peptide	RPQQPYPQPQPQ	1462.714	ACE inhibitor	Inhouse_peptide	NA	peptide
+C12042	Fengycin	C72H110N12O20	1462.7959	NA	KEGG	NA	NA
+HMDB11875	Ganglioside GM1 (d18:0/12:0)	C68H122N2O31	1462.803101	NA	HMDB2010	NA	NA
+7016	synthetic peptide from alpha-gliadin	QILQQILQQQLI	1464.852	antioxidative	Inhouse_peptide	NA	peptide
+2762	rabbit NP-5 defesin	VFCTCRGFLCGSGERASGSCTINGVRHTLCCRR	1465.2754	MH2+	Inhouse_peptide	NA	peptide
+3112	adrenocorticotropin hormone fr,: 1-24	SYSMEHFRWGKPVGKKRRPVKVYP	1465.77915	MH2+	Inhouse_peptide	NA	peptide
+5449	caeridin 2	GLLDVVGNLLGGLGLG	1465.8358	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB04942	Ganglioside GM2 (d18:1/24:1(15Z))	C73H131N3O26	1465.9021	http://www.hmdb.ca/metabolites/HMDB04942	HMDB	NA	NA
+HMDB04942	Ganglioside GM2 (d18:1/24:1(15Z))	C73H131N3O26	1465.9021	HMDB04942	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04942	Ganglioside GM2 (d18:1/24:1(15Z))	C73H131N3O26	1465.9021	NA	HMDB2010	NA	NA
+3900	mellitin-like peptide	FIGASALKVLAGVLPSVISWVKLGRILQ~	1466.88795	MH2+	Inhouse_peptide	NA	peptide
+5291	mellitin-like peptide	FIGASALKVLAGVLPSVISWVKLGRILQG	1466.88795	MH2+	Inhouse_peptide	NA	peptide
+HMDB11904	Ganglioside GM2 (d18:0/24:0)	C74H134N2O26	1466.922485	NA	HMDB2010	NA	NA
+HMDB11905	Ganglioside GM2 (d18:0/24:1(15Z))	C74H134N2O26	1466.922485	NA	HMDB2010	NA	NA
+3077	hirudin (54-65)	GDFEEIPEEYLQ	1467.6249	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04945	Ganglioside GM2 (d18:1/24:0)	C73H133N3O26	1467.91772	http://www.hmdb.ca/metabolites/HMDB04945	HMDB	NA	NA
+HMDB04945	Ganglioside GM2 (d18:1/24:0)	C73H133N3O26	1467.91772	HMDB04945	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04945	Ganglioside GM2 (d18:1/24:0)	C73H133N3O26	1467.917725	NA	HMDB2010	NA	NA
+3015	kinases inhibitor	KKALRRQEAADAL	1468.8329	celiac toxic	Inhouse_peptide	NA	peptide
+2982	kinases inhibitor	KKALKRQEAVDAL	1468.8569	celiac toxic	Inhouse_peptide	NA	peptide
+2985	kinases inhibitor	KKALRKQEAVDAL	1468.8569	anticancer	Inhouse_peptide	NA	peptide
+HMDB04912	Ganglioside GD3 (d18:1/9Z-18:1)	C70H123N3O29	1469.824219	NA	HMDB2010	NA	NA
+HMDB11872	Ganglioside GD3 (d18:1/18:1(11Z))	C70H123N3O29	1469.824219	NA	HMDB2010	NA	NA
+HMDB04912	Ganglioside GD3 (d18:1/9Z-18:1)	C70H123N3O29	1469.82422	http://www.hmdb.ca/metabolites/HMDB04912	HMDB	NA	NA
+HMDB04912	Ganglioside GD3 (d18:1/9Z-18:1)	C70H123N3O29	1469.82422	HMDB04912	PFEM_hmdb_metabocards_official	NA	NA
+2594	tenecin-1 (1-15)	VTCDILSVEAKGVKL~	1469.8658	NA	Inhouse_peptide	NA	peptide
+7003	synthetic peptide from alpha-gliadin	QEQVPLVQQQQF	1470.73	antioxidative	Inhouse_peptide	NA	peptide
+7009	synthetic peptide from alpha-gliadin	YLQLQPFPQPQL	1470.771	antioxidative	Inhouse_peptide	NA	peptide
+HMDB10297	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	C83H140O17P2	1470.956543	NA	HMDB2010	NA	NA
+2701	somatostatin 28	SANSNPAMAPRERKAGCKNFFWKTFTSC	1471.2206	MH2+	Inhouse_peptide	NA	peptide
+7011	synthetic peptide from alpha-gliadin	PYSQPQPFRPQQ	1471.704	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04914	Ganglioside GD3 (d18:1/18:0)	C70H125N3O29	1471.83984	http://www.hmdb.ca/metabolites/HMDB04914	HMDB	NA	NA
+HMDB04914	Ganglioside GD3 (d18:1/18:0)	C70H125N3O29	1471.83984	HMDB04914	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04914	Ganglioside GD3 (d18:1/18:0)	C70H125N3O29	1471.839844	NA	HMDB2010	NA	NA
+HMDB11860	Ganglioside GD3 (d18:0/18:1(11Z))	C70H125N3O29	1471.839844	NA	HMDB2010	NA	NA
+HMDB11861	Ganglioside GD3 (d18:0/18:1(9Z))	C70H125N3O29	1471.839844	NA	HMDB2010	NA	NA
+HMDB12264	N-Acetylglucosaminyl-diphosphodolichol	C88H147NO12P2	1472.039795	NA	HMDB2010	NA	NA
+MetaCyc04433	N-acetylglucosaminyl-diphosphodolichol [N-acetyl-D-glucosaminyldiphosphodolichol;]	C88H147N1O12P2	1472.039852	NA	metacyc	NA	NA
+HMDB10269	CL(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10276	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0)	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10277	CL(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10278	CL(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10283	CL(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/16:0)	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10286	CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z)/16:0)	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10291	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/16:1(9Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10294	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10693	CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10694	CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10695	CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB10696	CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/16:1(9Z))	C83H142O17P2	1472.972168	NA	HMDB2010	NA	NA
+HMDB11859	Ganglioside GD3 (d18:0/18:0)	C70H127N3O29	1473.855469	NA	HMDB2010	NA	NA
+HMDB10263	CL(20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C83H144O17P2	1474.987915	NA	HMDB2010	NA	NA
+HMDB10266	CL(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C83H144O17P2	1474.987915	NA	HMDB2010	NA	NA
+8212	RL-Y6Y12/G6G12 - synthetic peptide	AMRLTGNRPCIGAT	1476.7153	NA  ;SYN:3-Carboxypropylamine; 4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; Aminalon; GABA; Gaballon; Gamarex; Gamma aminobutyrate; Gamma aminobutyric acid; Gamma-aminobutyrate; Gamma-aminobutyric acid; Gammalon; Gammalone; Gammar; Gammasol; Mielogen; Mielomade; Piperidate; Piperidic acid; Piperidinate; Piperidinic acid; w-Aminobutyrate; w-Aminobutyric acid; omega-Aminobutyrate; omega-Aminobutyric acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+3433	NA	QKIAEKFSGTRRG	1476.7999	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB10262	CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C83H146O17P2	1477.00354	NA	HMDB2010	NA	NA
+2983	kinases inhibitor	KKALHRQEAVDAL	1477.8209	anticancer	Inhouse_peptide	NA	peptide
+2997	kinases inhibitor	KKALRHQEAVDAL	1477.8209	anticancer	Inhouse_peptide	NA	peptide
+2953	mastoparan from venom of Vespula levissii	INLKALAALAKKIL~	1477.9929	celiac toxic	Inhouse_peptide	NA	peptide
+3921	aurein 1,2	GLFDIIKKIAESF~	1478.8348	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB10260	CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	C83H148O17P2	1479.019165	NA	HMDB2010	NA	NA
+HMDB10261	CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	C83H148O17P2	1479.019165	NA	HMDB2010	NA	NA
+5455	aurein 1,2	GLFDIIKKIAESF	1479.8189	ACE inhibitor	Inhouse_peptide	NA	peptide
+5352	Cysteine-rich antifungal protein 2 [Fragment]	QKLCERPSGTXSGVCGNNNACKNQCIR	1480.1513	MH2+	Inhouse_peptide	NA	peptide
+5474	aurein 3,1,1	GLFDIVKKIAGHIA	1480.8608	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB10258	CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	C83H150O17P2	1481.03479	NA	HMDB2010	NA	NA
+HMDB10259	CL(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	C83H150O17P2	1481.03479	NA	HMDB2010	NA	NA
+7012	synthetic peptide from alpha-gliadin	PFRPQQPYPQPQ	1481.724	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04946	Ganglioside GM2 (d18:1/25:0)	C74H135N3O26	1481.93335	http://www.hmdb.ca/metabolites/HMDB04946	HMDB	NA	NA
+HMDB04946	Ganglioside GM2 (d18:1/25:0)	C74H135N3O26	1481.93335	HMDB04946	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04946	Ganglioside GM2 (d18:1/25:0)	C74H135N3O26	1481.93335	NA	HMDB2010	NA	NA
+5372	dermaseptin B3	ALWKNMLKGIGKLAGQAALGAVKTLVGAEG	1482.33665	MH2+	Inhouse_peptide	NA	peptide
+3440	NA	KWKSFIKNLEKVLKKGPILANLVSIV	1482.40235	MH2+	Inhouse_peptide	NA	peptide
+7729	NA	TYRKPPFNGSIFG	1482.7459	antioxidative	Inhouse_peptide	NA	peptide
+2979	kinases inhibitor	KKAVRRQEAVDAL	1482.8479	celiac toxic	Inhouse_peptide	NA	peptide
+2991	kinases inhibitor	KKALRRQEGVDAL	1482.8479	anticancer	Inhouse_peptide	NA	peptide
+2990	kinases inhibitor	KKALRRNEAVDAL	1482.8488	anticancer	Inhouse_peptide	NA	peptide
+HMDB11906	Ganglioside GM2 (d18:0/25:0)	C75H138N2O26	1482.953735	NA	HMDB2010	NA	NA
+HMDB10254	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	C83H152O17P2	1483.050537	NA	HMDB2010	NA	NA
+HMDB10255	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	C83H152O17P2	1483.050537	NA	HMDB2010	NA	NA
+HMDB10256	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	C83H152O17P2	1483.050537	NA	HMDB2010	NA	NA
+HMDB10257	CL(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	C83H152O17P2	1483.050537	NA	HMDB2010	NA	NA
+2989	kinases inhibitor	KKALRRDEAVDAL	1483.8328	anticancer	Inhouse_peptide	NA	peptide
+3223	C-terminal fr, of human receptor of interleukin	QRRQRKSRRTI	1483.8779	celiac toxic	Inhouse_peptide	NA	peptide
+8335	f(195-208) of alpha S1 casein	SDIPNPIGSENSEK	1485.6797	NA  ;SYN:(2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid; (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid; (4R)-4-hydroxy-L-proline; 4-Hydroxy-2-pyrrolidinecarboxylic acid; 4-Hydroxy-L-proline; 4-Hydroxyproline; 4-L-Hydroxyproline; Hydroxy-l-proline; hydroxy-proline; Hydroxyproline; hydroxiproline; L-4-Hydroxyproline; L-hydroxyproline; L-threo-4-hydroxyproline; LS-hydroxyproline; Oxaceprol; Trans-hydroxyproline; Trans-l-hydroxyproline; delta-hydroxyproline; trans-4-Hydroxy-L-proline; trans-4-HydroxyprolineH2Blood; Urine	Inhouse_peptide	NA	peptide
+7435	coeliac toxic peptide	QLQPFPQQQLPY	1485.745	antioxidative	Inhouse_peptide	NA	peptide
+3190	cystatin S (1-14)	SSSKEENRIIPGGI	1485.7639	celiac toxic	Inhouse_peptide	NA	peptide
+5450	caeridin 3	GLFDAIGNLLGGLGLG	1485.8048	ACE inhibitor	Inhouse_peptide	NA	peptide
+FL5FAAGS0139	Kaempferol 3-glucosyl-(1->6)-[rhamnosyl-(1->3)-(2''-(E)-p-coumaroylglucoside)]-7-rhamnosyl-(1->3)-rhamnosyl-(1->3)-(4''-(E)-p-coumaroylrhamnoside);7-[[O-6-Deoxy-alpha-L-mannopyranosyl-(1->3)-O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->6)]-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	C69H82O36	1486.4585	622411-39-6	knapsack	NA	NA
+7436	coeliac toxic peptide	QLQPFPQQELPY	1486.729	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11890	Ganglioside GM1 (d18:1/14:0)	C70H124N2O31	1488.818848	NA	HMDB2010	NA	NA
+HMDB11876	Ganglioside GM1 (d18:0/14:0)	C70H126N2O31	1490.834473	NA	HMDB2010	NA	NA
+C12129	Anemone purple anthocyanin 1	C64H67O41	1491.3158	NA	KEGG	NA	NA
+FL7AAGGL0054	Ternatin C2	C66H75O39	1491.3885	215378-74-8	knapsack	NA	NA
+2789	NA	DAENLIDSFQEIV	1491.6957	celiac toxic	Inhouse_peptide	NA	peptide
+3867	vespa-like peptide from R, Erythraea	FLPILGKIAGFLFG	1491.87	neuropeptide	Inhouse_peptide	NA	peptide
+4002	Substance P	RPKPQQFFFGLM~	1493.7804	haemolytic	Inhouse_peptide	NA	peptide
+HMDB04943	Ganglioside GM2 (d18:1/26:1(17Z))	C75H135N3O26	1493.93335	http://www.hmdb.ca/metabolites/HMDB04943	HMDB	NA	NA
+HMDB04943	Ganglioside GM2 (d18:1/26:1(17Z))	C75H135N3O26	1493.93335	HMDB04943	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04943	Ganglioside GM2 (d18:1/26:1(17Z))	C75H135N3O26	1493.93335	NA	HMDB2010	NA	NA
+2763	rabbit NP-4 defensin	VSCTCRRFSCGFGERASGSCTVNGVRHTLCCRR	1494.7815	MH2+	Inhouse_peptide	NA	peptide
+HMDB11908	Ganglioside GM2 (d18:0/26:1(17Z))	C76H138N2O26	1494.953735	NA	HMDB2010	NA	NA
+3196	crabolin from venom of European hornet Vespa crabr	FLPLILRKIVTAL~	1494.9869	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04944	Ganglioside GM2 (d18:1/26:0)	C75H137N3O26	1495.94897	http://www.hmdb.ca/metabolites/HMDB04944	HMDB	NA	NA
+HMDB04944	Ganglioside GM2 (d18:1/26:0)	C75H137N3O26	1495.94897	HMDB04944	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04944	Ganglioside GM2 (d18:1/26:0)	C75H137N3O26	1495.948975	NA	HMDB2010	NA	NA
+C12024	Calcium-dependent antibiotic	C67H80N14O26	1496.5368	NA	KEGG	NA	NA
+2981	kinases inhibitor	KKAIRRQEAVDAL	1496.8639	celiac toxic	Inhouse_peptide	NA	peptide
+3023	kinases inhibitor	KKALRRQEAVDAL	1496.8639	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11907	Ganglioside GM2 (d18:0/26:0)	C76H140N2O26	1496.969482	NA	HMDB2010	NA	NA
+HMDB10300	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H142O17P2	1496.972168	NA	HMDB2010	NA	NA
+2591	tenecin-1 (16-32)	NDAACAAHCLFRGRSGG~	1497.7408	NA	Inhouse_peptide	NA	peptide
+2987	kinases inhibitor	KKALRREEAVDAL	1497.8479	anticancer	Inhouse_peptide	NA	peptide
+3947	mytilin C from Mytilum edulis	SCASRCKSRCRARRCRYYVSVRYGGFCYCRC	1498.30105	MH2+	Inhouse_peptide	NA	peptide
+HMDB10272	CL(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H144O17P2	1498.987915	NA	HMDB2010	NA	NA
+HMDB10273	CL(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H144O17P2	1498.987915	NA	HMDB2010	NA	NA
+HMDB10281	CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H144O17P2	1498.987915	NA	HMDB2010	NA	NA
+HMDB10282	CL(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H144O17P2	1498.987915	NA	HMDB2010	NA	NA
+HMDB10298	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	C85H144O17P2	1498.987915	NA	HMDB2010	NA	NA
+HMDB10299	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	C85H144O17P2	1498.987915	NA	HMDB2010	NA	NA
+3338	human beta-casein fr, 49-61	IHPFAQTQSLVYP	1499.761	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04915	Ganglioside GD3 (d18:1/20:0)	C72H129N3O29	1499.871216	NA	HMDB2010	NA	NA
+HMDB04915	Ganglioside GD3 (d18:1/20:0)	C72H129N3O29	1499.87122	http://www.hmdb.ca/metabolites/HMDB04915	HMDB	NA	NA
+HMDB04915	Ganglioside GD3 (d18:1/20:0)	C72H129N3O29	1499.87122	HMDB04915	PFEM_hmdb_metabocards_official	NA	NA
+3033	calmodulin-binding peptide	VYQHQKAMKPWIQPKTKVIPYVRY	1500.3147	MH2+	Inhouse_peptide	NA	peptide
+3435	f(183-206) of bovine alpha s2-casein	VYQHQKAMKPWIQPKTKVIPYVRY	1500.3147	MH2+	Inhouse_peptide	NA	peptide
+3965	NA	VYQHQKAMKPWIQPKTKVIPYVRY	1500.3147	MH2+	Inhouse_peptide	NA	peptide
+3647	stimulating g-interferon production peptide	GSFRPSQQNPQAQG	1500.6909	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB10264	CL(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10265	CL(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10267	CL(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10268	CL(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10271	CL(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10274	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)/18:1(11Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10275	CL(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/18:1(9Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10280	CL(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10284	CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(11Z)/18:1(11Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10285	CL(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/18:1(9Z)/18:1(9Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10287	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10288	CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10289	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10290	CL(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10292	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10293	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10295	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+HMDB10296	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))	C85H146O17P2	1501.00354	NA	HMDB2010	NA	NA
+2761	rat defensin murine cryptidin	VCYCRSRGCKGRERMNGTCRKGHLLYTLCCR	1501.81665	MH2+	Inhouse_peptide	NA	peptide
+5457	aurein 2,1,1	LDIVKKVVGAFGSLG	1501.8708	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11862	Ganglioside GD3 (d18:0/20:0)	C72H131N3O29	1501.886841	NA	HMDB2010	NA	NA
+7728	NA	PGANSGGMWFGPRLG	1502.6933	antioxidative	Inhouse_peptide	NA	peptide
+3920	aurein 1,1,	GLFDIIKKIAESIG	1502.8558	neuropeptide	Inhouse_peptide	NA	peptide
+5454	aurein 1,1	GLFDIIKKIAESIG	1502.8558	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB10270	CL(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H148O17P2	1503.019165	NA	HMDB2010	NA	NA
+HMDB10279	CL(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C85H148O17P2	1503.019165	NA	HMDB2010	NA	NA
+3006	kinases inhibitor	KKALYRQEAVDAL	1503.8259	anticancer	Inhouse_peptide	NA	peptide
+3008	kinases inhibitor	KKALRYQEAVDAL	1503.8259	anticancer	Inhouse_peptide	NA	peptide
+8261	f(184-208) of ovine alpha s2-casein	VDQHQKAMKPWTQPKTNAIPYVRYL	1505.7791	MH2+	Inhouse_peptide	NA	peptide
+3220	calpain inhibitor	EKLGERDDTIPPEYRELLEKKTGVACE	1507.26695	MH2+	Inhouse_peptide	NA	peptide
+C12132	Anemone blue anthocyanin 3	C64H67O42	1507.3107	NA	KEGG	NA	NA
+8331	f(184-210) of human alpha beta casein	QELLLNPTHQIYPVTQPLAPVHNPISV	1508.8059	MH2+	Inhouse_peptide	NA	peptide
+8332	f(184-210) of human alpha beta casein	QELLLNPTHQIYPVTQPLAPVHNPISV	1508.8059	MH2+	Inhouse_peptide	NA	peptide
+HMDB06669	O-(N-acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-O-b-D-mannopyr	C57H95N3O43	1509.533936	NA	HMDB2010	NA	NA
+HMDB06669	O-(N-acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-O-b-D-mannopyr	C57H95N3O43	1509.53394	http://www.hmdb.ca/metabolites/HMDB06669	HMDB	NA	NA
+HMDB06669	O-(N-acetyl-a-neuraminosyl)-(2->6)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-O-b-D-mannopyr	C57H95N3O43	1509.53394	HMDB06669	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06621	Trifucosyllacto-N-hexaose	C58H98N2O43	1510.55432	http://www.hmdb.ca/metabolites/HMDB06621	HMDB	NA	NA
+HMDB06621	Trifucosyllacto-N-hexaose	C58H98N2O43	1510.55432	HMDB06621	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06621	Trifucosyllacto-N-hexaose	C58H98N2O43	1510.554321	NA	HMDB2010	NA	NA
+2996	kinases inhibitor	KKALRRQEALDAL	1510.8799	anticancer	Inhouse_peptide	NA	peptide
+3013	kinases inhibitor	KKALRRQEAIDAL	1510.8799	celiac toxic	Inhouse_peptide	NA	peptide
+5413	dermaseptin 3	ALWKNMLKGIGKLAGKAALGAVKKLVGAES	1510.88365	MH2+	Inhouse_peptide	NA	peptide
+4010	LDT 2, alpha-chain	GYGGVSLPEWVCTTF	1511.713	haemolytic	Inhouse_peptide	NA	peptide
+5496	NA	HRHQGPIFDTRPSPFNPNQPRPGPIY	1512.2499	MH2+	Inhouse_peptide	NA	peptide
+7035	synthetic peptide from alpha-gliadin	QQLPQFEEIRNL	1513.7739	antioxidative	Inhouse_peptide	NA	peptide
+2980	kinases inhibitor	KKAMRRQEAVDAL	1514.8203	celiac toxic	Inhouse_peptide	NA	peptide
+3893	temporin G	FFPVIGRILNGILG	1514.8829	neuropeptide	Inhouse_peptide	NA	peptide
+3875	vespa-like peptide from R, Esculenta	FLPILGKILGQLFG	1514.907	neuropeptide	Inhouse_peptide	NA	peptide
+5461	aurein 2,4,1	FDIVKKVVGTIAGLG	1515.8859	ACE inhibitor	Inhouse_peptide	NA	peptide
+7784	peptide from vesicular stomatitis virus	KFTIVFPHNQKGNWKNVPSNYHYCP	1517.2223	MH2+	Inhouse_peptide	NA	peptide
+HMDB04855	Ganglioside GM1 (18:1/16:0)	C71H127N3O31	1517.845337	NA	HMDB2010	NA	NA
+HMDB04855	Ganglioside GM1 (18:1/16:0)	C71H127N3O31	1517.84534	http://www.hmdb.ca/metabolites/HMDB04855	HMDB	NA	NA
+HMDB04855	Ganglioside GM1 (18:1/16:0)	C71H127N3O31	1517.84534	HMDB04855	PFEM_hmdb_metabocards_official	NA	NA
+5381	Brevinin-2EA	GILDTLKNLAISAAKGAAQGLVNKASCKLSGQC	1518.35485	MH2+	Inhouse_peptide	NA	peptide
+7027	synthetic peptide from alpha-gliadin	IILHQQQKQQQQ	1518.81	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11877	Ganglioside GM1 (d18:0/16:0)	C72H130N2O31	1518.865723	NA	HMDB2010	NA	NA
+HMDB10308	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	C87H140O17P2	1518.956543	NA	HMDB2010	NA	NA
+HMDB10309	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	C87H140O17P2	1518.956543	NA	HMDB2010	NA	NA
+HMDB10310	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))	C87H140O17P2	1518.956543	NA	HMDB2010	NA	NA
+HMDB10311	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))	C87H140O17P2	1518.956543	NA	HMDB2010	NA	NA
+5486	ceratotoxin C	SLGGVISGAKKVAKVAIPIGKAVLPVVAKLVG	1519.454	MH2+	Inhouse_peptide	NA	peptide
+8110	peptide derived from tuna backbone protein	VKAGFAWTANQQLS	1519.7629	ACE inhibitor	Inhouse_peptide	NA	peptide
+8209	RL-Y6C10/G6G10 - synthetic peptide	AMRLTGNRPGLYAT	1519.7783	Short chain quaternary ammonium salts  ;SYN:(2-Hydroxyethyl)trimethyl ammonium; (2-Hydroxyethyl)trimethylammonium; (beta-hydroxyethyl)trimethylammonium; 2-hydroxy-N,N,N-trimethylethanaminium; Bilineurine; Biocolina; Biocoline; Choline; Choline cation; Choline ion; Cholinum; Hepacholine; Hormocline; Lipotril; N,N,N-trimethylethanolammonium; Neocolina; Paresan; 2-hydroxy-N,N,N-trimethyl-ethanaminium; N,N,N-trimethylethanol-ammoniumH2Blood; Breast Milk; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+8211	RL-C10Y12/G10G12 - synthetic peptide	AMRLTYNRPGLGAT	1519.7783	NA  ;SYN:L-(+)-Cystathionine; Cystathionine; (R)-S-(2-amino-2-carboxyethyl)-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-Butanoic acid; S-[(2R)-2-amino-2-carboxyethyl]-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-ButanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+C12036	Chlorobiphenyl-desleucyl-vancomycin	C72H71Cl3N8O23	1520.3698	NA	KEGG	NA	NA
+HMDB10250	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C87H142O17P2	1520.972168	NA	HMDB2010	NA	NA
+HMDB10251	CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	C87H142O17P2	1520.972168	NA	HMDB2010	NA	NA
+HMDB10252	CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))	C87H142O17P2	1520.972168	NA	HMDB2010	NA	NA
+HMDB10253	CL(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))	C87H142O17P2	1520.972168	NA	HMDB2010	NA	NA
+3862	vespa-like peptide from V, Orientalis	FLPLILGKLVKGLL~	1522.022	neuropeptide	Inhouse_peptide	NA	peptide
+5399	brevinin-2	GLLDSLKGFAATAGKGVLQSLLSTASCKLAKTC	1522.86145	MH2+	Inhouse_peptide	NA	peptide
+HMDB10304	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C87H144O17P2	1522.987915	NA	HMDB2010	NA	NA
+HMDB10307	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C87H144O17P2	1522.987915	NA	HMDB2010	NA	NA
+7058	DP1	KLAKLAKKLAKLAK 	1523.048	antioxidative	Inhouse_peptide	NA	peptide
+2932	NA	CPTATATALAPRGGSRV	1524.821	celiac toxic	Inhouse_peptide	NA	peptide
+2993	kinases inhibitor	KKALRRQEVVDAL	1524.8949	anticancer	Inhouse_peptide	NA	peptide
+HMDB10301	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C87H146O17P2	1525.00354	NA	HMDB2010	NA	NA
+HMDB10302	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(11Z))	C87H146O17P2	1525.00354	NA	HMDB2010	NA	NA
+HMDB10303	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(9Z))	C87H146O17P2	1525.00354	NA	HMDB2010	NA	NA
+HMDB10305	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z))	C87H146O17P2	1525.00354	NA	HMDB2010	NA	NA
+HMDB10306	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z))	C87H146O17P2	1525.00354	NA	HMDB2010	NA	NA
+45	Hemoglobin	TLASHLPSDFTPAVHASLDKFLANVSTVL	1525.3075	MH2+	Inhouse_peptide	NA	peptide
+HMDB03404	Chitosan	C56H103N9O39	1525.63525	http://www.hmdb.ca/metabolites/HMDB03404	HMDB	NA	NA
+HMDB03404	Chitosan	C56H103N9O39	1525.63525	HMDB03404	PFEM_hmdb_metabocards_official	NA	NA
+HMDB03404	Chitosan	C56H103N9O39	1525.635376	NA	HMDB2010	NA	NA
+HMDB11873	Ganglioside GD3 (d18:1/22:1(13Z))	C74H131N3O29	1525.886841	NA	HMDB2010	NA	NA
+3986	NA	LGQQQPFPPQQPY	1526.734	opioid	Inhouse_peptide	NA	peptide
+3063	fragment of human b-casein fr:105-117	QPTIPFFDPQIPK	1526.7959	celiac toxic	Inhouse_peptide	NA	peptide
+5373	dermaseptin B4	ALWKDILKNVGKAAGKAVLNTVTDMVNQG	1526.82445	MH2+	Inhouse_peptide	NA	peptide
+3948	mytilin D from Mytilum edulis	GCASRCKAKCAGRRCKGWASASFRRRCYCKCFRC	1526.8524	MH2+	Inhouse_peptide	NA	peptide
+C04808	D-Abequosyl-D-mannosyl-rhamnosyl-D-galactose-1-diphospholipid	C79H132O24P2	1526.8584	NA	KEGG	NA	NA
+C04809	Membrane-derived-oligosaccharide 6-(glycerophospho)-D-glucose	C79H132O24P2	1526.8584	NA	KEGG	NA	NA
+C04810	Oligosaccharide with 4-deoxy-alpha-D-gluc-4-enuronosyl group	C6H7O6	1526.8584	NA	KEGG	NA	NA
+2593	tenecin-1 (1-15)	VTCDILSVEAKGVKLG	1527.8708	NA	Inhouse_peptide	NA	peptide
+HMDB04916	Ganglioside GD3 (d18:1/22:0)	C74H133N3O29	1527.902466	NA	HMDB2010	NA	NA
+HMDB11864	Ganglioside GD3 (d18:0/22:1(13Z))	C74H133N3O29	1527.902466	NA	HMDB2010	NA	NA
+HMDB04916	Ganglioside GD3 (d18:1/22:0)	C74H133N3O29	1527.90247	http://www.hmdb.ca/metabolites/HMDB04916	HMDB	NA	NA
+HMDB04916	Ganglioside GD3 (d18:1/22:0)	C74H133N3O29	1527.90247	HMDB04916	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11863	Ganglioside GD3 (d18:0/22:0)	C74H135N3O29	1529.918091	NA	HMDB2010	NA	NA
+3496	ACE inhibitor	FFVAPFPFEVFGK	1530.7739	ACE inhibitor	Inhouse_peptide	NA	peptide
+2986	kinases inhibitor	KKAFRRQEAVDAL	1530.8479	anticancer	Inhouse_peptide	NA	peptide
+3012	kinases inhibitor	KKALRRQYAVDAL	1530.8849	celiac toxic	Inhouse_peptide	NA	peptide
+3000	kinases inhibitor	YKALRRQEAVDAL	1531.8329	anticancer	Inhouse_peptide	NA	peptide
+3002	kinases inhibitor	KYALRRQEAVDAL	1531.8329	anticancer	Inhouse_peptide	NA	peptide
+3010	kinases inhibitor	KKALRRYEAVDAL	1531.8689	anticancer	Inhouse_peptide	NA	peptide
+MetaCyc04434	CoA-disulfide []	C42H70N14O32P6S2	1532.214767	NA	metacyc	NA	NA
+C02015	CoA-disulfide	C42H70N14O32P6S2	1532.2148	NA	KEGG	NA	NA
+C02017	Corticotropin	C42H70N14O32P6S2	1532.2148	NA	KEGG	NA	NA
+8238	Antioxidative peptide	IEWEGIESGSVEQA	1532.684	NA  ;SYN:(S)-1H-Imidazole-4-alanine; (S)-2-Amino-3-(4-imidazolyl)propionsaeure; (S)-4-(2-Amino-2-carboxyethyl)imidazole; (S)-Histidine; (S)-a-Amino-1H-imidazole-4-propanoate; (S)-a-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propanoate; (S)-alpha-Amino-1H-imidazole-4-propanoic acid; (S)-alpha-Amino-1H-imidazole-4-propionate; (S)-alpha-Amino-1H-imidazole-4-propionic acid; (S)1H-Imidazole-4-alanine; 3-(1H-imidazol-4-yl)-L-Alanine; Glyoxaline-5-alanine; His; Histidine; L-(-)-Histidine; amino-1H-imidazole-4-propanoate; amino-1H-imidazole-4-propanoic acid; amino-4-imidazoleproprionate; amino-4-imidazoleproprionic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB12307	Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate	C79H129N3O22P2	1533.854248	NA	HMDB2010	NA	NA
+MetaCyc04435	undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate [Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose;lipid III;C55-PP-GlcNAc-ManNAcA-Fuc4NAc;ManNAcA-GlcNAc-Fuc4NAc-pyrophosphorylundecaprenol;ManNAcA-GlcNAc-Fuc4NAc-PP-lipid;]	C79H129N3O22P2	1533.854296	NA	metacyc	NA	NA
+3189	cystatin S (108-121)	EDRMSLVDSRCQEA	1534.6912	celiac toxic	Inhouse_peptide	NA	peptide
+FL7AAGGL0034	Delphinidin 3,7,3',5'-tetra(6-O-p-coumaroyl-beta-glucoside)	C75H75O35	1535.4088	395680-65-6	knapsack	NA	NA
+2954	mastoparan from venom of Vespula levissii	INLKALAALAKKILG	1535.9979	celiac toxic	Inhouse_peptide	NA	peptide
+5416	mastoparan	INLKALAALAKKILG	1535.9979	ACE inhibitor	Inhouse_peptide	NA	peptide
+3922	aurein 1,2,	GLFDIIKKIAESFG	1536.8398	neuropeptide	Inhouse_peptide	NA	peptide
+7677	ACE inhibitor from b-CN (46-59), rat	KFHSGIQSEPKAIP	1537.808	antioxidative	Inhouse_peptide	NA	peptide
+7787	de novo designed peptide	WEAKLAKALAKALAKHLAKALKAKALCEA	1537.895	MH2+	Inhouse_peptide	NA	peptide
+2994	kinases inhibitor	KKALRRQEIVDAL	1538.9109	anticancer	Inhouse_peptide	NA	peptide
+3021	kinases inhibitor	KKALRRQELVDAL	1538.9109	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11874	Ganglioside GD3 (d18:1/23:0)	C75H135N3O29	1541.918091	NA	HMDB2010	NA	NA
+HMDB11891	Ganglioside GM1 (d18:1/18:1(11Z))	C74H130N2O31	1542.865723	NA	HMDB2010	NA	NA
+5497	Corticostatin-related peptide RK-1	MPCSCKKYCDPWEVIDGSCGLFNSKYICCREK	1543.2666	MH2+	Inhouse_peptide	NA	peptide
+HMDB04854	Ganglioside GM1 (18:1/9Z-18:1)	C73H129N3O31	1543.86096	http://www.hmdb.ca/metabolites/HMDB04854	HMDB	NA	NA
+HMDB04854	Ganglioside GM1 (18:1/9Z-18:1)	C73H129N3O31	1543.86096	HMDB04854	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04854	Ganglioside GM1 (18:1/9Z-18:1)	C73H129N3O31	1543.860962	NA	HMDB2010	NA	NA
+HMDB11865	Ganglioside GD3 (d18:0/23:0)	C75H137N3O29	1543.933716	NA	HMDB2010	NA	NA
+2995	kinases inhibitor	KKALRRQEAFDAL	1544.8639	anticancer	Inhouse_peptide	NA	peptide
+HMDB11879	Ganglioside GM1 (d18:0/18:1(11Z))	C74H132N2O31	1544.881348	NA	HMDB2010	NA	NA
+HMDB11880	Ganglioside GM1 (d18:0/18:1(9Z))	C74H132N2O31	1544.881348	NA	HMDB2010	NA	NA
+3007	kinases inhibitor	KKALRRQEAVYAL	1544.9	anticancer	Inhouse_peptide	NA	peptide
+HMDB10312	CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	C89H142O17P2	1544.972168	NA	HMDB2010	NA	NA
+7762	Pleurocidin analogue from Pleuronectes americanus	RWRSFFKKAAHRGKHVGKRARTHYL~	1545.8665	MH2+	Inhouse_peptide	NA	peptide
+7765	Pleurocidin analogue from Pleuronectes americanus	RWRSFFKKAAHRGKHVGKRARTHYL~	1545.8665	MH2+	Inhouse_peptide	NA	peptide
+HMDB04856	Ganglioside GM1 (18:1/18:0)	C73H131N3O31	1545.876709	NA	HMDB2010	NA	NA
+HMDB00117	Ganglioside GM1	C73H131N3O31	1545.87671	http://www.hmdb.ca/metabolites/HMDB00117	PFEM_hmdb_metabocards_urine	NA	urine
+HMDB00117	Ganglioside GM1	C73H131N3O31	1545.87671	http://www.hmdb.ca/metabolites/HMDB00117	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+HMDB00117	Ganglioside GM1	C73H131N3O31	1545.87671	http://www.hmdb.ca/metabolites/HMDB00117	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+HMDB00117	Ganglioside GM1	C73H131N3O31	1545.87671	http://www.hmdb.ca/metabolites/HMDB00117	HMDB	NA	NA
+HMDB04856	Ganglioside GM1 (18:1/18:0)	C73H131N3O31	1545.87671	http://www.hmdb.ca/metabolites/HMDB04856	HMDB	NA	NA
+HMDB00117	Ganglioside GM1	C73H131N3O31	1545.87671	HMDB00117	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04856	Ganglioside GM1 (18:1/18:0)	C73H131N3O31	1545.87671	HMDB04856	PFEM_hmdb_metabocards_official	NA	NA
+7452	coeliac toxic peptide	ESQQSQQDEPQPF	1546.6369	antioxidative	Inhouse_peptide	NA	peptide
+7453	coeliac toxic peptide	FPQPEDQQSQQSE	1546.6369	antioxidative	Inhouse_peptide	NA	peptide
+3020	kinases inhibitor	KKALRRQEAVDAY	1546.8429	celiac toxic	Inhouse_peptide	NA	peptide
+3026	kinases inhibitor	KKAYRRQEAVDAL	1546.8429	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11878	Ganglioside GM1 (d18:0/18:0)	C74H134N2O31	1546.897095	NA	HMDB2010	NA	NA
+3070	human defensin HNP-4	VCSCRLVFCRRTELRVGNCLIGGVSFTYCCTRV	1547.36645	MH2+	Inhouse_peptide	NA	peptide
+7791	de novo designed peptide (penetratin analogue)	LIRLWSHLIHIWFQNRRLKWKKK	1549.41045	MH2+	Inhouse_peptide	NA	peptide
+5375	gaegurin 3	GIMSIVKDVAKTAAKEAAKGALSTLSCKLAKTC	1550.38365	MH2+	Inhouse_peptide	NA	peptide
+4004	NA	RPKPQQFFFGLMG	1551.7854	haemolytic	Inhouse_peptide	NA	peptide
+3266	NA	KKQRFRHRNRQ	1552.8768	celiac toxic	Inhouse_peptide	NA	peptide
+3197	crabolin from venom of European hornet Vespa crabr	FLPLILRKIVTALG	1552.9919	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04917	Ganglioside GD3 (d18:1/24:1(15Z))	C76H135N3O29	1553.91809	http://www.hmdb.ca/metabolites/HMDB04917	HMDB	NA	NA
+HMDB04917	Ganglioside GD3 (d18:1/24:1(15Z))	C76H135N3O29	1553.91809	HMDB04917	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04917	Ganglioside GD3 (d18:1/24:1(15Z))	C76H135N3O29	1553.918091	NA	HMDB2010	NA	NA
+HMDB11867	Ganglioside GD3 (d18:0/24:1(15Z))	C76H135N3O29	1553.918091	NA	HMDB2010	NA	NA
+3009	kinases inhibitor	KKKLRRQEAVDAL	1553.9209	anticancer	Inhouse_peptide	NA	peptide
+23	Hemoglobin	LGFPTTKTYFPHF	1554.776	celiac toxic	Inhouse_peptide	NA	peptide
+5382	Brevinin-2EB	GILDTLKNLAKTAGKGALQGLVKMASCKLSGQC	1555.3816	MH2+	Inhouse_peptide	NA	peptide
+2592	tenecin-1 (16-32)	NDAACAAHCLFRGRSGGG	1555.7458	NA	Inhouse_peptide	NA	peptide
+HMDB04920	Ganglioside GD3 (d18:1/24:0)	C76H137N3O29	1555.933716	NA	HMDB2010	NA	NA
+HMDB04920	Ganglioside GD3 (d18:1/24:0)	C76H137N3O29	1555.93384	http://www.hmdb.ca/metabolites/HMDB04920	HMDB	NA	NA
+HMDB04920	Ganglioside GD3 (d18:1/24:0)	C76H137N3O29	1555.93384	HMDB04920	PFEM_hmdb_metabocards_official	NA	NA
+7675	ACE inhibitor from b-CN (46-59), mouse	KVHSSIQSQPQAFT	1556.778	antioxidative	Inhouse_peptide	NA	peptide
+3034	calmodulin-binding peptide	VYQHQKAMKPWIQPKTKVIPYVRYL	1556.8567	MH2+	Inhouse_peptide	NA	peptide
+3964	NA	VYQHQKAMKPWIQPKTKVIPYVRYL	1556.8567	MH2+	Inhouse_peptide	NA	peptide
+5469	(fr,183-207 of bovine alpha s2-casein)	VYQHQKAMKPWIQPKTKVIPYVRYL	1556.8567	MH2+	Inhouse_peptide	NA	peptide
+5396	gaegurin 2	GIMSIVKDVAKNAAKEAAKGALSTLSCKLAKTC	1556.8816	MH2+	Inhouse_peptide	NA	peptide
+3188	cystatin S (61-73)	VNYFFDVEVGRTI	1557.7678	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11866	Ganglioside GD3 (d18:0/24:0)	C76H139N3O29	1557.949463	NA	HMDB2010	NA	NA
+2988	kinases inhibitor	KKALRRQEAYDAL	1560.8589	anticancer	Inhouse_peptide	NA	peptide
+2639	synthetic fr, of human beta-CN (40-52) ACE inhibitor	IYPSFQPQPLIYP	1561.802	NA	Inhouse_peptide	NA	peptide
+5451	caeridin 4	GLLDVVGNVLHSLGLG	1561.8678	ACE inhibitor	Inhouse_peptide	NA	peptide
+C13613	Teicoplanin A3-1	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+C13614	Transferred to D02101	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+C13615	Transferred to D02102	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+C13616	Transferred to D02103	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+C13617	Transferred to D02104	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+C13618	Transferred to D02105	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+C13619	Transferred to D02106	C72H68Cl2N8O28	1562.352	NA	KEGG	NA	NA
+MetaCyc04436	N4-{N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,3)-[N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,6)]-[&beta;-D-xylosyl-(1,2)]-&beta;-D-mannosyl-(1,4)-N-acetyl-&beta;-D-glucosaminyl-(1,4)-N-acetyl-&beta;-D-glucosaminyl}asparagine [GnGnX-glycopeptide;GnGnX-GP;]	C59H98N6O42	1562.571711	NA	metacyc	NA	NA
+3036	insulin secretion inhibitor	YNVEHAVDYVERA	1563.7168	ACE inhibitor	Inhouse_peptide	NA	peptide
+C17516	Capsianside A	C76H124O33	1564.8025	NA	KEGG	NA	NA
+5546	BMAP-28 (cathelicidin)	GGLRSLGRKILRAWKKYGPIIVPIIRIG	1564.96495	MH2+	Inhouse_peptide	NA	peptide
+7059	coeliac toxic peptide	LQLQPFPQPQLPY	1567.823	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04921	Ganglioside GD3 (d18:1/25:0)	C77H139N3O29	1569.94946	http://www.hmdb.ca/metabolites/HMDB04921	HMDB	NA	NA
+HMDB04921	Ganglioside GD3 (d18:1/25:0)	C77H139N3O29	1569.94946	HMDB04921	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04921	Ganglioside GD3 (d18:1/25:0)	C77H139N3O29	1569.949463	NA	HMDB2010	NA	NA
+6995	potential coeliac toxic peptide (extended motif)	QGSFRPSQQNPQAQ	1571.7279	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11868	Ganglioside GD3 (d18:0/25:0)	C77H141N3O29	1571.965088	NA	HMDB2010	NA	NA
+2759	rat NP-2 defensin	VTCYCRSTRCGFRERLSGACGYRGRIYRLCCR	1572.85305	MH2+	Inhouse_peptide	NA	peptide
+HMDB04857	Ganglioside GM1 (18:1/20:0)	C75H135N3O31	1573.907959	NA	HMDB2010	NA	NA
+HMDB04857	Ganglioside GM1 (18:1/20:0)	C75H135N3O31	1573.90796	http://www.hmdb.ca/metabolites/HMDB04857	HMDB	NA	NA
+HMDB04857	Ganglioside GM1 (18:1/20:0)	C75H135N3O31	1573.90796	HMDB04857	PFEM_hmdb_metabocards_official	NA	NA
+7763	Pleurocidin analogue from Pleuronectes americanus	RWRSFFKKAAHRGKHVGKRARTHYLG	1574.869	MH2+	Inhouse_peptide	NA	peptide
+7764	Pleurocidin analogue from Pleuronectes americanus	RWRSFFKKAAHRGKHVGKRARTHYLG	1574.869	MH2+	Inhouse_peptide	NA	peptide
+HMDB11881	Ganglioside GM1 (d18:0/20:0)	C76H138N2O31	1574.928345	NA	HMDB2010	NA	NA
+5395	gaegurin 1	SLFSLIKAGAKFLGKNLLKQGACYAACKASKQC	1575.40345	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04437	N4-{N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,3)-[N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1,4)-N-acetyl-&beta;-D-glucosaminyl-(1,4)-[&alpha;-L-fucosyl-(1,6)]-N-acetyl-&beta;-D-glucosaminyl}asparagine []	C60H100N6O42	1576.587361	NA	metacyc	NA	NA
+MetaCyc04438	N(4)-{N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,3)-[N-acetyl-&beta;-D-glucosaminyl-(1,2)-&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1,4)-N-acetyl-&beta;-D-glucosaminyl-(1,4)-[&alpha;-L-fucosyl-(1,3)]-N-acetyl-&beta;-D-glucosaminyl}asparagine []	C60H100N6O42	1576.587361	NA	metacyc	NA	NA
+3946	mytilin B from Mytilum edulis	SCASRCKGHCRARRCGYYVSVLYRGRCYCKCLRC	1577.37095	MH2+	Inhouse_peptide	NA	peptide
+3224	brevinin-2E	GIMDTLKNLAKTAGKGALQSLLNKASCKLSGQC	1577.8745	MH2+	Inhouse_peptide	NA	peptide
+8173	peptide derived from bovine b-casein (1-28)	RELEELNVPGEIVESLSSSEESITRINK	1578.2979	MH2+	Inhouse_peptide	NA	peptide
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.6583	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.6583	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.6583	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.6583	Wishlist	Inhousejuil11	NA	NA
+C00194	Cobamide coenzyme	C72H100CoN18O17P	1578.6583	NA	KEGG	NA	NA
+C00195	N-Acylsphingosine	C19H36NO3R	1578.6583	NA	KEGG	NA	NA
+HMDB02086	Adenosylcobalamin	C72H100CoN18O17P	1578.658325	NA	HMDB2010	NA	NA
+HMDB02086	Adenosylcobalamin	C72H100CoN18O17P	1578.65833	http://www.hmdb.ca/metabolites/HMDB02086	HMDB	NA	NA
+HMDB02086	Adenosylcobalamin	C72H100CoN18O17P	1578.65833	HMDB02086	PFEM_hmdb_metabocards_official	NA	NA
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	PFEM_hmdb_metabocards_urine	NA	urine
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	Banques_urine_inhousejuill11&pfem_hmdburine&junotneg	negative	urine
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	banques-urine_inhousejuill11&PFEM_HMDBurine&JunotPOS	positive	urine
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	HMDB	NA	NA
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	Inhouse_PFEM	NA	NA
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	PFEM_hmdb_metabocards_blood	NA	blood
+EUR078	5-deoxyadenosyl cobalamin	C72H100CoN18O17P	1578.658339	Wishlist	PFEM_hmdb_metabocards_official	NA	NA
+3038	insulin secretion inhibitor	IEYNVEHAVDYVE	1578.7048	celiac toxic	Inhouse_peptide	NA	peptide
+8175	bovine lactoferricin B	FKCRRWQWRMKKLGAPSITCVRRAF	1578.8207	MH2+	Inhouse_peptide	NA	peptide
+5397	Brevinin-2EF	GIMDTLKNLAKTAGKGALQSLVKMASCKLSGQC	1579.36525	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04439	coenzyme B12 [adenosylcobalamin;Cobamide coenzyme;Deoxyadenosylcobalamin;Cobamamide;Vitamin B12 coenzyme;Cobamamid;5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide;Cobinamide, Co-(5'-deoxyadenosine-5') derivative  hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole;(5'-Deoxy-5'-adenosyl)cobamide coenzyme;(5,6-dimethylbenzimidazolyl)cobamide coenzyme;a-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme;5'-Deoxy-5'-adenosylcobalamin;5'-Deoxyadenosyl vitamin B12;5'-Deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide;5'-Deoxyadenosylcobalamin;5,6-Dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide;Calomide;Cobalamin coenzyme;Cobalamin, Co-(5'-deoxy-5'-adenosyl)-;Cobamide coenzyme, (5'-deoxy-5'-adenosyl)-;Cobamide coenzyme, (5,6-dimethyl-1H-benzimidazolyl)-;Cobinamide, Co-(5'-deoxyadenosine-5') deriv.,;Cobinamide, Co-(5'-deoxyadenosine-5') deriv., hydroxide, 3'-ester with 5,6-dimethyl-1-a-D-ribofuranosylbenzimidazole;DBC coenzyme;Dibencozide;Funacomide;Vitamin B12, Co-(5'-deoxy-5'-adenosyl) deriv.;]	C72H101N18O17P1COBALT1	1579.666171	13870-90-1	metacyc	NA	NA
+3865	vespa-like peptide from V, Orientalis	FLPLILGKLVKGLLG	1580.027	neuropeptide	Inhouse_peptide	NA	peptide
+2696	NA	IEGPTLRQWLAARA	1580.864	celiac toxic	Inhouse_peptide	NA	peptide
+7068	coeliac toxic peptide	FPQQPQQPYPQQP	1581.739	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04918	Ganglioside GD3 (d18:1/26:1(17Z))	C78H139N3O29	1581.94946	http://www.hmdb.ca/metabolites/HMDB04918	HMDB	NA	NA
+HMDB04918	Ganglioside GD3 (d18:1/26:1(17Z))	C78H139N3O29	1581.94946	HMDB04918	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04918	Ganglioside GD3 (d18:1/26:1(17Z))	C78H139N3O29	1581.949463	NA	HMDB2010	NA	NA
+C06765	Flavomycin	C69H107N4O35P	1582.6453	NA	KEGG	NA	NA
+C06766	alpha-Factor	C69H107N4O35P	1582.6453	NA	KEGG	NA	NA
+8207	RL-Y6/G6 - synthetic peptide	AMRLTGNRPCLYAT	1582.7573	NA  ;SYN:(Dimethylamino)acetate; (Dimethylamino)acetic acid; 2-(Dimethylamino)acetate; 2-(Dimethylamino)acetic acid; Dimethylglycine; N,N-Dimethylaminoacetate; N,N-Dimethylaminoacetic acid; N,N-Dimethylglycine; N-Methylsarcosine N,N-dimethyl-GlycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+8210	RL-Y12/G12 - synthetic peptide	AMRLTYNRPCLGAT	1582.7573	NA  ;SYN:L-(+)-Cystathionine; Cystathionine; (R)-S-(2-amino-2-carboxyethyl)-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-Butanoic acid; S-[(2R)-2-amino-2-carboxyethyl]-L-Homocysteine; [R-(R*,S*)]-2-amino-4-[(2-amino-2-carboxyethyl)thio]-ButanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+FL7AACGL0101	Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D-glucopyranposyl)caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]	C72H79O40	1583.4147	756795-04-7	knapsack	NA	NA
+HMDB04919	Ganglioside GD3 (d18:1/26:0)	C78H141N3O29	1583.965088	NA	HMDB2010	NA	NA
+HMDB11870	Ganglioside GD3 (d18:0/26:1(17Z))	C78H141N3O29	1583.965088	NA	HMDB2010	NA	NA
+HMDB04919	Ganglioside GD3 (d18:1/26:0)	C78H141N3O29	1583.96509	http://www.hmdb.ca/metabolites/HMDB04919	HMDB	NA	NA
+HMDB04919	Ganglioside GD3 (d18:1/26:0)	C78H141N3O29	1583.96509	HMDB04919	PFEM_hmdb_metabocards_official	NA	NA
+HMDB00809	N-Glycoloylganglioside GM1	C77H139N3O30	1585.944336	NA	HMDB2010	NA	NA
+HMDB00809	N-Glycoloylganglioside GM1	C77H139N3O30	1585.94434	http://www.hmdb.ca/metabolites/HMDB00809	HMDB	NA	NA
+HMDB00809	N-Glycoloylganglioside GM1	C77H139N3O30	1585.94434	HMDB00809	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11869	Ganglioside GD3 (d18:0/26:0)	C78H143N3O29	1585.980713	NA	HMDB2010	NA	NA
+C17417	Onjisaponin F	C75H112O36	1588.6933	NA	KEGG	NA	NA
+3003	kinases inhibitor	KKYLRRQEAVDAL	1588.8899	anticancer	Inhouse_peptide	NA	peptide
+3017	kinases inhibitor	KKALRRQEYVDAL	1588.8899	celiac toxic	Inhouse_peptide	NA	peptide
+3018	kinases inhibitor	KKALRRQEAVDYL	1588.8899	celiac toxic	Inhouse_peptide	NA	peptide
+5371	dermaseptin B2	GLWSKIKEVGKEAAKAAAKAAGKAALGAVSEAVG	1589.89	MH2+	Inhouse_peptide	NA	peptide
+C12014	Chloroeremomycin	C73H88Cl2N10O26	1590.5248	NA	KEGG	NA	NA
+HMDB04923	Ganglioside GD2 (d18:1/12:0)	C72H126N4O34	1590.825317	NA	HMDB2010	NA	NA
+HMDB04923	Ganglioside GD2 (d18:1/12:0)	C72H126N4O34	1590.82532	http://www.hmdb.ca/metabolites/HMDB04923	HMDB	NA	NA
+HMDB04923	Ganglioside GD2 (d18:1/12:0)	C72H126N4O34	1590.82532	HMDB04923	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11837	Ganglioside GD2 (d18:0/12:0)	C73H129N3O34	1591.845703	NA	HMDB2010	NA	NA
+3711	NA	SSRDRNKPFKFVL	1592.8638	ACE inhibitor	Inhouse_peptide	NA	peptide
+7063	coeliac toxic peptide	QQPFQQQQQPLPQ	1593.772	antioxidative	Inhouse_peptide	NA	peptide
+2703	seminal -plasmin from bovine seminal fluid	CIGNGGRCNENVGPPYCCSGFCCLRQPNQGYGVCRNA	1593.7727	MH2+	Inhouse_peptide	NA	peptide
+7773	phosphophoryn biomimetic peptide	DDPNDSSDESNGNDD	1594.5011	antioxidative	Inhouse_peptide	NA	peptide
+2951	mastoparan from vespa vasalis	LKLKSIVAWAKKVL~	1595.049	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11892	Ganglioside GM1 (d18:1/22:1(13Z))	C78H138N2O31	1598.928345	NA	HMDB2010	NA	NA
+HMDB11883	Ganglioside GM1 (d18:0/22:1(13Z))	C78H140N2O31	1600.94397	NA	HMDB2010	NA	NA
+3022	kinases inhibitor	KKKLRRQEAFDAL	1601.9209	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04858	Ganglioside GM1 (18:1/22:0)	C77H139N3O31	1601.939209	NA	HMDB2010	NA	NA
+HMDB04858	Ganglioside GM1 (18:1/22:0)	C77H139N3O31	1601.93921	http://www.hmdb.ca/metabolites/HMDB04858	HMDB	NA	NA
+HMDB04858	Ganglioside GM1 (18:1/22:0)	C77H139N3O31	1601.93921	HMDB04858	PFEM_hmdb_metabocards_official	NA	NA
+3967	NA	FLSFPTTKTYFPHFDLSHGSAQVKGHGAK	1602.2949	MH2+	Inhouse_peptide	NA	peptide
+3968	NA	FLSFPTTKTYFPHFDLSHGSAQVKGHGAK	1602.2949	MH2+	Inhouse_peptide	NA	peptide
+47	Hemoglobin	FLSFPTTKTYFPHFDLSHGSAQVKGHGAK	1602.311	MH2+	Inhouse_peptide	NA	peptide
+5438	lycotoxin 2	KIKWFKTMKSIAKFIAKEQMKKHLGGE	1602.3894	MH2+	Inhouse_peptide	NA	peptide
+HMDB11882	Ganglioside GM1 (d18:0/22:0)	C78H142N2O31	1602.959717	NA	HMDB2010	NA	NA
+8237	Antioxidative peptide	AIEWEGIESGSVEQA	1603.721	NA  ;SYN:(2S,3S)-2-Amino-3-methylpentanoate; (2S,3S)-2-Amino-3-methylpentanoic acid; (2S,3S)-2-amino-3-methyl-Pentanoate; (2S,3S)-2-amino-3-methyl-Pentanoic acid; (2S,3S)-a-Amino-b-methyl-n-valerate; (2S,3S)-a-Amino-b-methyl-n-valeric acid; (2S,3S)-a-Amino-b-methylvalerate; (2S,3S)-a-Amino-b-methylvaleric acid; (2S,3S)-alph-Amino-beta-methylvalerate; (2S,3S)-alph-Amino-beta-methylvaleric acid; (2S,3S)-alpha-Amino-beta-merthyl-n-valerate; (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-merthylvalerate; (2S,3S)-alpha-Amino-beta-merthylvaleric acid; (2S,3S)-alpha-Amino-beta-methyl-n-valerate; (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid; (2S,3S)-alpha-Amino-beta-methylvalerate; (2S,3S)-alpha-Amino-beta-methylvaleric acid; (S)-Isoleucine; (S,S)-Isoleucine; 2-Amino-3-methylpentanoate; 2-Amino-3-methylpentanoic acid; 2-Amino-3-methylvalerate; 2-Amino-3-methylvaleric acid; 2S,3S-Isoleucine; Ile; Isoleucine; L-(+)-Isoleucine; L-Ile; [S-(R*,R*)]-2-Amino-3-methylpentanoate; [S-(R*,R*)]-2-Amino-3-methylpentanoic acid; erythro-L-Isoleucine; iso-leucineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+6990	potential coeliac toxic peptide (extended motif)	PQNPSQQQPQEQVP	1603.7409	antioxidative	Inhouse_peptide	NA	peptide
+7437	coeliac toxic peptide	VQGQGIIQPQQPAQL	1603.851	antioxidative	Inhouse_peptide	NA	peptide
+C13897	sn-Caldito-1-phosphoethanolamine	C94H190NO15P	1604.3873	NA	KEGG	NA	NA
+5357	Antimicrobial peptide CHP2 [Fragment]	GRKSDCFRKNGFCAFLKCPYLTLISGLCSXFHLC	1605.8729	MH2+	Inhouse_peptide	NA	peptide
+2760	rat NP-1 defensin	VTCYCRRTRCGFRERLSGACGYRGRIYRLCCR	1607.38745	MH2+	Inhouse_peptide	NA	peptide
+3086	guinea pig defensin GPNP	RRCICTTRTCRFPYRRLGTCIFQNRVYTFCC	1608.88295	MH2+	Inhouse_peptide	NA	peptide
+4000	[F10A] AVR9	YCNSSCTRAADCLGQCGRCDFHKLQCVH	1609.60935	MH2+	Inhouse_peptide	NA	peptide
+5389	dermaseptin B1	AMWKDVLKKIGTVALHAGKAALGAVADTISQG	1609.87915	MH2+	Inhouse_peptide	NA	peptide
+7062	coeliac toxic peptide	VQGQGHQPPQQPAQL	1611.793	antioxidative	Inhouse_peptide	NA	peptide
+8100	peptide derived from oyster (Crassostrea gigas)	LKQELEDLLEKQE	1613.8349	inhibitor	Inhouse_peptide	NA	peptide
+3915	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGL~	1613.9708	neuropeptide	Inhouse_peptide	NA	peptide
+3923	aurein 2,1	GLLDIVKKVVGAFGSL~	1613.9708	neuropeptide	Inhouse_peptide	NA	peptide
+3925	aurein 2,2	GLFDIVKKVVGALGSL~	1613.9708	neuropeptide	Inhouse_peptide	NA	peptide
+3927	aurein 2,3,	GLFDIVKKVVGAIGSL~	1613.9708	neuropeptide	Inhouse_peptide	NA	peptide
+4015	Citropin 1,1	GLFDVIKKVASVIGGL~	1613.9708	antifungal	Inhouse_peptide	NA	peptide
+3910	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGL~	1613.9709	neuropeptide	Inhouse_peptide	NA	peptide
+3743	f(17-42) of bovine lactoferrin 	FKCRRWQWRMKKLGAPSITCVRRAFA	1614.3392	MH2+	Inhouse_peptide	NA	peptide
+HMDB11893	Ganglioside GM1 (d18:1/23:0)	C79H142N2O31	1614.959717	NA	HMDB2010	NA	NA
+HMDB11884	Ganglioside GM1 (d18:0/23:0)	C79H144N2O31	1616.975342	NA	HMDB2010	NA	NA
+HMDB11852	Ganglioside GD2 (d18:1/14:0)	C75H131N3O34	1617.86145	NA	HMDB2010	NA	NA
+2687	NA	GGCADGPTLREWISFCGG	1618.7579	celiac toxic	Inhouse_peptide	NA	peptide
+C12013	Daptomycin	C72H101N17O26	1619.7104	NA	KEGG	NA	NA
+HMDB11838	Ganglioside GD2 (d18:0/14:0)	C75H133N3O34	1619.877075	NA	HMDB2010	NA	NA
+FL7AACGL0094	Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7-O-[6-O-(trans-p-coumaryl)-beta-D-glucopyranoside]-3'-O-[6-O-(trans-4-O-(6-O-(trans-4-O-(beta-D-glucopyranosyl)-p-coumaryl)-beta-D-glucopyranoside]	C75H81O40	1621.4304	-	knapsack	NA	NA
+3037	insulin secretion inhibitor	DRIEYNVEHAVDY	1621.7228	celiac toxic	Inhouse_peptide	NA	peptide
+3116	adrenocorticotropin hormone fr,:1-13	SYSMEHFRWGKPV	1622.7504	celiac toxic	Inhouse_peptide	NA	peptide
+3709	NA	SSRDRNKPFKFML	1624.8362	ACE inhibitor	Inhouse_peptide	NA	peptide
+MetaCyc04440	(KDO)-lipid IVA [3-Deoxy-D-manno-octulosonyl-lipid IV(A);]	C76H142N2O30P2	1624.912264	NA	metacyc	NA	NA
+C06024	3-Deoxy-D-manno-octulosonyl-lipid IV(A)	C76H142N2O30P2	1624.9123	NA	KEGG	NA	NA
+5462	aurein 3,1,2	FDIVKKIAGHIAGSIG	1624.9139	ACE inhibitor	Inhouse_peptide	NA	peptide
+C13874	Gentiobiosyl-caldarchaeol	C98H192O16	1625.421	NA	KEGG	NA	NA
+8208	RL-C10/G10 - synthetic peptide	AMRLTYNRPGLYAT	1625.8203	Short chain quaternary ammonium salts  ;SYN:(2-Hydroxyethyl)trimethyl ammonium; (2-Hydroxyethyl)trimethylammonium; (beta-hydroxyethyl)trimethylammonium; 2-hydroxy-N,N,N-trimethylethanaminium; Bilineurine; Biocolina; Biocoline; Choline; Choline cation; Choline ion; Cholinum; Hepacholine; Hormocline; Lipotril; N,N,N-trimethylethanolammonium; Neocolina; Paresan; 2-hydroxy-N,N,N-trimethyl-ethanaminium; N,N,N-trimethylethanol-ammoniumH2Blood; Breast Milk; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+7447	coeliac toxic peptide	GQQGYYPTSVQQSGQ	1626.71	antioxidative	Inhouse_peptide	NA	peptide
+8197	f(25-40) of bovine b-lactoglobulin 	AASDISLLDAQSAPLR	1626.8448	Short chain acyl carnitines  ;SYN:(-)-(R)-3-Hydroxy-4-(trimethylammonio)butyrate; (-)-carnitine; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide; (r)-carnitine; (s)-carnitine; 1-carnitine; 3-carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium; Bicarnesine; Carnilean; Carnitene; Carnitine; Carnitor; D-carnitine; delta-carnitine; DL-carnitine; Gamma-trimethyl-ammonium-beta-hydroxybutirate; Gamma-trimethyl-beta-hydroxybutyrobetaine; Gamma-trimethyl-hydroxybutyrobetaine; Karnitin; L-(-)-carnitine; L-carnitine; L-gamma-trimethyl-beta-hydroxybutyrobetaine; Levocarnitina; Levocarnitine; Levocarnitinum; R-(-)-3-hydroxy-4-trimethylaminobutyrate; Vitamin BT; Carniking; Carniking 50; Carnipass; Carnipass 20; 3-hydroxy-4-trimethylammoniobutanoate; 3-hydroxy-4-trimethylammoniobutanoic acidH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+5543	SMAP-29 (cathelicidin)	RGLRRLGRKIAHGVKKYGPTVLRIIRIAG	1627.0055	MH2+	Inhouse_peptide	NA	peptide
+6992	potential coeliac toxic peptide (extended motif)	QQQKQQQQPSSQVS	1627.774	antioxidative	Inhouse_peptide	NA	peptide
+3339	human beta-casein fr, 48-61	KIHPFAQTQSLVYP	1627.855	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB04859	Ganglioside GM1 (d18:1/24:1(15Z))	C79H141N3O31	1627.954956	NA	HMDB2010	NA	NA
+HMDB04859	Ganglioside GM1 (d18:1/24:1(15Z)))	C79H141N3O31	1627.95496	http://www.hmdb.ca/metabolites/HMDB04859	HMDB	NA	NA
+HMDB04859	Ganglioside GM1 (d18:1/24:1(15Z)))	C79H141N3O31	1627.95496	HMDB04859	PFEM_hmdb_metabocards_official	NA	NA
+3929	aurein 2,4	GLFDIVKKVVGTIAGL~	1627.9858	neuropeptide	Inhouse_peptide	NA	peptide
+3933	aurein 2,6	GLFDIAKKVIGVIGSL~	1627.9869	neuropeptide	Inhouse_peptide	NA	peptide
+5460	aurein 2,4	GLFDIVKKVVGTIAGL	1628.9699	ACE inhibitor	Inhouse_peptide	NA	peptide
+7046	aurein 2,6	GLFDIAKKVIGVIGSL	1628.9709	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11886	Ganglioside GM1 (d18:0/24:1(15Z))	C80H144N2O31	1628.975342	NA	HMDB2010	NA	NA
+C12050	Everninomycin	C70H97Cl2NO38	1629.5066	NA	KEGG	NA	NA
+3100	fragment of beta-amyloid protein:Q11-1-28	DAEFRHDSGYQVHHQKLVFFAEDVGSNK	1629.76075	MH2+	Inhouse_peptide	NA	peptide
+7724	NA	NKLASVYALTPSLRV~	1629.9419	antioxidative	Inhouse_peptide	NA	peptide
+HMDB04863	Ganglioside GM1 (d18:1/24:0)	C79H143N3O31	1629.97058	http://www.hmdb.ca/metabolites/HMDB04863	HMDB	NA	NA
+HMDB04863	Ganglioside GM1 (d18:1/24:0)	C79H143N3O31	1629.97058	HMDB04863	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04863	Ganglioside GM1 (d18:1/24:0)	C79H143N3O31	1629.970581	NA	HMDB2010	NA	NA
+3103	fragment of beta-amyloid protein:1-28	DAEFRHDSGYEVHHQKLVFFAEDVGSNK	1630.2528	MH2+	Inhouse_peptide	NA	peptide
+HMDB11885	Ganglioside GM1 (d18:0/24:0)	C80H146N2O31	1630.990967	NA	HMDB2010	NA	NA
+3999	[R8K] AVR9	YCNSSCTKAFDCLGQCGRCDFHKLQCVH	1633.62135	MH2+	Inhouse_peptide	NA	peptide
+HMDB02202	Glutathionylcobalamin	C72H104CoN16O20PS	1634.640259	NA	HMDB2010	NA	NA
+HMDB02202	Glutathionylcobalamin	Not Available	1634.64026	http://www.hmdb.ca/metabolites/HMDB02202	HMDB	NA	NA
+HMDB02202	Glutathionylcobalamin	Not Available	1634.64026	HMDB02202	PFEM_hmdb_metabocards_official	NA	NA
+2767	rabbit defensin NP-1	VVCACRRALCLPRERRAGFCRIRGRIHPLCCRR	1638.4955	MH2+	Inhouse_peptide	NA	peptide
+HMDB06798	1,4-b-D-Mannan	C60H102O51	1638.538818	NA	HMDB2010	NA	NA
+3898	temporin L	FVQWFSKFLGRIL~	1638.9249	neuropeptide	Inhouse_peptide	NA	peptide
+5545	BMAP-27 (cathelicidin)	GRFKRFRKKFKKLFKKLSPVIPLLHLG	1640.5205	MH2+	Inhouse_peptide	NA	peptide
+3949	mytilin G1 from Mytilum edulis	VVTCGSLCKAHCTFRKCGYFMAVLYHGRCYCRCLLC	1641.3877	MH2+	Inhouse_peptide	NA	peptide
+7732	NA	SENFTPWAYIILNGEAPIIREVHYSPRL~	1641.8474	MH2+	Inhouse_peptide	NA	peptide
+5442	caprine LF (from caprine lactoferrin 14-42)	PEWSKCYQWQRRMRKLGAPSITCVRRTSA	1643.86865	MH2+	Inhouse_peptide	NA	peptide
+HMDB04865	Ganglioside GM1 (d18:1/25:0)	C80H145N3O31	1643.986206	NA	HMDB2010	NA	NA
+HMDB04865	Ganglioside GM1 (d18:1/25:0)	C80H145N3O31	1643.98621	http://www.hmdb.ca/metabolites/HMDB04865	HMDB	NA	NA
+HMDB04865	Ganglioside GM1 (d18:1/25:0)	C80H145N3O31	1643.98621	HMDB04865	PFEM_hmdb_metabocards_official	NA	NA
+5392	rugosin A	GLLNTFKDWAISIAKGAGKGVLTTLSCKLDKSCG	1644.4114	MH2+	Inhouse_peptide	NA	peptide
+HMDB11887	Ganglioside GM1 (d18:0/25:0)	C81H148N2O31	1645.006592	NA	HMDB2010	NA	NA
+5356	Antimicrobial peptide THP1	GKREKCLRRNGFCAFLKCPTLSVISGTCSRFQVCC	1645.92345	MH2+	Inhouse_peptide	NA	peptide
+HMDB04925	Ganglioside GD2 (d18:1/16:0)	C76H134N4O34	1646.887939	NA	HMDB2010	NA	NA
+HMDB04925	Ganglioside GD2 (d18:1/16:0)	C76H134N4O34	1646.88794	http://www.hmdb.ca/metabolites/HMDB04925	HMDB	NA	NA
+HMDB04925	Ganglioside GD2 (d18:1/16:0)	C76H134N4O34	1646.88794	HMDB04925	PFEM_hmdb_metabocards_official	NA	NA
+C12035	Chlorobiphenyl-vancomycin	C79H84Cl3N9O24	1647.4695	NA	KEGG	NA	NA
+3997	39904	YCNSSCTRAFDCLGQCGRCDFHKLQCVH	1647.62485	MH2+	Inhouse_peptide	NA	peptide
+6996	potential coeliac toxic peptide (extended motif)	QPFPPQQPYPQPQP	1647.785	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11839	Ganglioside GD2 (d18:0/16:0)	C77H137N3O34	1647.908325	NA	HMDB2010	NA	NA
+5318	aurein 2,5	GLFDIVKKVVGAFGSL~	1647.9548	binding	Inhouse_peptide	NA	peptide
+6993	potential coeliac toxic peptide (extended motif)	LQPQNPSQQQPQEQ	1648.7629	antioxidative	Inhouse_peptide	NA	peptide
+7045	aurein 2,5	GLFDIVKKVVGAFGSL	1648.9389	antioxidative	Inhouse_peptide	NA	peptide
+3110	adrenocorticotropin hormone fr,:11-24	KPVGKKRRPVKVYP	1651.022	celiac toxic	Inhouse_peptide	NA	peptide
+7451	coeliac toxic peptide	QSGQYQQQPQMQTT	1651.7084	antioxidative	Inhouse_peptide	NA	peptide
+3024	kinases inhibitor	KKKLRRQEAFDAY	1651.8999	celiac toxic	Inhouse_peptide	NA	peptide
+2766	rabbit defensin NP-2	VVCACRRALCLPLERRAAGFCRIRGRIHPLCCRR	1652.5055	MH2+	Inhouse_peptide	NA	peptide
+7417	coeliac toxic peptide	QPFPQPQQPFPQSQ	1652.776	antioxidative	Inhouse_peptide	NA	peptide
+2952	mastoparan from vespa vasalis	LKLKSIVAWAKKVLG	1653.054	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB06680	Disialyllacto-N-hexaose II	C62H102N4O47	1654.57141	http://www.hmdb.ca/metabolites/HMDB06680	HMDB	NA	NA
+HMDB06681	Disialyllacto-N-hexaose I	C62H102N4O47	1654.57141	http://www.hmdb.ca/metabolites/HMDB06681	HMDB	NA	NA
+HMDB06680	Disialyllacto-N-hexaose II	C62H102N4O47	1654.57141	HMDB06680	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06681	Disialyllacto-N-hexaose I	C62H102N4O47	1654.57141	HMDB06681	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06680	Disialyllacto-N-hexaose II	C62H102N4O47	1654.571411	NA	HMDB2010	NA	NA
+HMDB06681	Disialyllacto-N-hexaose I	C62H102N4O47	1654.571411	NA	HMDB2010	NA	NA
+7049	Arginine deiminase (Streptococcus pyogenes)	TAQTPIHVYSEIGKL 	1655.871	antioxidative	Inhouse_peptide	NA	peptide
+5419	porcine lactoferrin LFP	SKCRQWSKIRRTNP	1655.9178	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB04860	Ganglioside GM1 (d18:1/26:1(17Z)))	C81H145N3O31	1655.986206	NA	HMDB2010	NA	NA
+HMDB04860	Ganglioside GM1 (d18:1/26:1(17Z)))	C81H145N3O31	1655.98621	http://www.hmdb.ca/metabolites/HMDB04860	HMDB	NA	NA
+HMDB04860	Ganglioside GM1 (d18:1/26:1(17Z)))	C81H145N3O31	1655.98621	HMDB04860	PFEM_hmdb_metabocards_official	NA	NA
+5383	Brevinin-2EC	GILLDKLKNFAKTAGKGVLQSLLNTASCKLSGQC	1656.4458	MH2+	Inhouse_peptide	NA	peptide
+HMDB11889	Ganglioside GM1 (d18:0/26:1(17Z))	C82H148N2O31	1657.006592	NA	HMDB2010	NA	NA
+MetaCyc04441	adenosylcobalamin-5'-phosphate []	C72H100N18O20P2COBALT1	1657.616851	NA	metacyc	NA	NA
+HMDB04861	Ganglioside GM1 (d18:1/26:0)	C81H147N3O31	1658.00183	http://www.hmdb.ca/metabolites/HMDB04861	HMDB	NA	NA
+HMDB04861	Ganglioside GM1 (d18:1/26:0)	C81H147N3O31	1658.00183	HMDB04861	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04861	Ganglioside GM1 (d18:1/26:0)	C81H147N3O31	1658.001831	NA	HMDB2010	NA	NA
+HMDB11888	Ganglioside GM1 (d18:0/26:0)	C82H150N2O31	1659.022217	NA	HMDB2010	NA	NA
+8272	f(87-115) of human lysozyme	DNIADAVACAKRVVRDPQGIRAWVAWRNR	1661.35825	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04442	adenosylcobinamide-GDP [Adenosine-GDP-cobinamide;]	C68H95N21O21P2COBALT1	1662.581862	NA	metacyc	NA	NA
+3689	NA	FEWNYVEFSWASV	1662.7209	ACE inhibitor	Inhouse_peptide	NA	peptide
+7420	coeliac toxic peptide	PQQPFPQPQQPFPQ	1662.796	antioxidative	Inhouse_peptide	NA	peptide
+C12054	Thiostrepton	C72H85N19O18S5	1663.4924	NA	KEGG	NA	NA
+C06510	Adenosine-GDP-cobinamide	C68H97CoN21O21P2	1664.5975	NA	KEGG	NA	NA
+HMDB12185	Adenosylcobinamide-GDP	C68H97CoN21O21P2	1664.597534	NA	HMDB2010	NA	NA
+7060	coeliac toxic peptide	PQPQLPYPQPQLPY	1664.838	antioxidative	Inhouse_peptide	NA	peptide
+7044	potential coeliac toxic peptide (extended motif)	PFPPQQPYPQPQPF	1666.795	antioxidative	Inhouse_peptide	NA	peptide
+5361	Cecropin P1 (Sus scrofa)	SWLSKTAKKLENSAKKRISEGIAIAIQGGPR	1668.43895	MH2+	Inhouse_peptide	NA	peptide
+8287	antioxidative peptide	VLPVPQKKVLPVPQK	1669.046	NA  ;SYN:15N-acetylglycine a-radical; 2-acetamidoacetate; 2-acetamidoacetic acid; Acetylglycine; N-acetylglycine sodium salt; acetamidoacetate; acetamidoacetic acid; aceturate; aceturic acid; acetylaminoacetate; acetylaminoacetic acid; acetylglycocoll; ethanoylaminoethanoate; ethanoylaminoethanoic acid; n-acetyl-glycine; n-acetylglycine; Ac GlyH2Blood; Urine	Inhouse_peptide	NA	peptide
+FL7AACGL0095	Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7-O-[6-O-(trans-caffeyl)-beta-D-glucopyranoside]-3'-O-[6-O-(trans-4-O-(6-O-(trans-4-O-(beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranoside]	C75H81O43	1669.4151	-	knapsack	NA	NA
+6991	potential coeliac toxic peptide (extended motif)	QQFLGQQQPFPPQQ	1669.803	antioxidative	Inhouse_peptide	NA	peptide
+6994	potential coeliac toxic peptide (extended motif)	QPQPFPSQQPYLQL	1669.829	antioxidative	Inhouse_peptide	NA	peptide
+6997	potential coeliac toxic peptide (extended motif)	QPFPSQQPYLQLQP	1669.829	antioxidative	Inhouse_peptide	NA	peptide
+3137	esculentin	GIFSKLGRKKIKNLLISGLKNVGKEVGMDVV	1669.9785	MH2+	Inhouse_peptide	NA	peptide
+7733	NA	SENFTPWAYIILNGEAPIIREVHYSPRLG	1670.8499	MH2+	Inhouse_peptide	NA	peptide
+3755	f(17-43) of bovine lactoferrin 	FKCRRWQWRMKKLGAPSITCVRRAFAL	1670.8812	MH2+	Inhouse_peptide	NA	peptide
+8344	fragment 17-43 of bovine lactoferrin	FKCRRWQWRMKKLGAPSITCVRRAFAL 	1670.8812	MH2+	Inhouse_peptide	NA	peptide
+8255	f(181-207) of bovine alpha s2-casein	KTVYQHQKAMKPWIQPKTKVIPYVRYL 	1671.4272	MH2+	Inhouse_peptide	NA	peptide
+8273	Cr1	KTVYQHQKAMKPWIQPKTKVIPYVRYL	1671.4272	MH2+	Inhouse_peptide	NA	peptide
+HMDB11853	Ganglioside GD2 (d18:1/18:1(11Z))	C79H137N3O34	1671.908325	NA	HMDB2010	NA	NA
+3916	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGLG	1671.9758	neuropeptide	Inhouse_peptide	NA	peptide
+3924	aurein 2,1	GLLDIVKKVVGAFGSLG	1671.9758	neuropeptide	Inhouse_peptide	NA	peptide
+3926	aurein 2,2	GLFDIVKKVVGALGSLG	1671.9758	neuropeptide	Inhouse_peptide	NA	peptide
+3928	aurein 2,3,	GLFDIVKKVVGAIGSLG	1671.9758	neuropeptide	Inhouse_peptide	NA	peptide
+4016	NA	GLFDVIKKVASVIGGLG	1671.9758	antifungal	Inhouse_peptide	NA	peptide
+5456	aurein 2,1	GLLDIVKKVVGAFGSLG	1671.9758	ACE inhibitor	Inhouse_peptide	NA	peptide
+5458	aurein 2,2	GLFDIVKKVVGALGSLG	1671.9758	ACE inhibitor	Inhouse_peptide	NA	peptide
+5459	aurein 2,3	GLFDIVKKVVGAIGSLG	1671.9758	ACE inhibitor	Inhouse_peptide	NA	peptide
+3911	citropin 1,1 from Australian frog	GLFDVIKKVASVIGGLG	1671.9759	neuropeptide	Inhouse_peptide	NA	peptide
+C04851	MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-	C86H143N7O21P2	1671.9812	NA	KEGG	NA	NA
+MetaCyc04443	N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl- D-alanyl-D-alanine-diphosphoundecaprenol [mur2Ac(oyl-L-Ala-&gamma;-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;]	C86H143N7O21P2	1671.981228	NA	metacyc	NA	NA
+HMDB04924	Ganglioside GD2 (d18:1/9Z-18:1)	C78H136N4O34	1672.90356	http://www.hmdb.ca/metabolites/HMDB04924	HMDB	NA	NA
+HMDB04924	Ganglioside GD2 (d18:1/9Z-18:1)	C78H136N4O34	1672.90356	HMDB04924	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04924	Ganglioside GD2 (d18:1/9Z-18:1)	C78H136N4O34	1672.903564	NA	HMDB2010	NA	NA
+HMDB11841	Ganglioside GD2 (d18:0/18:1(11Z))	C79H139N3O34	1673.92395	NA	HMDB2010	NA	NA
+HMDB11842	Ganglioside GD2 (d18:0/18:1(9Z))	C79H139N3O34	1673.92395	NA	HMDB2010	NA	NA
+HMDB04926	Ganglioside GD2 (d18:1/18:0)	C78H138N4O34	1674.919189	NA	HMDB2010	NA	NA
+HMDB04926	Ganglioside GD2 (d18:1/18:0)	C78H138N4O34	1674.91919	http://www.hmdb.ca/metabolites/HMDB04926	HMDB	NA	NA
+HMDB04926	Ganglioside GD2 (d18:1/18:0)	C78H138N4O34	1674.91919	HMDB04926	PFEM_hmdb_metabocards_official	NA	NA
+MetaCyc04444	(N-acetylglucosaminyl)2-diphosphodolichol [chitobiosyldiphosphodolichol;N,N'-diacetylchitobiosyldiphosphodolichol;{N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C96H160N2O17P2	1675.119225	NA	metacyc	NA	NA
+HMDB12126	(N-Acetylglucosaminyl)2-diphosphodolichol	C96H160N2O17P2	1675.119263	NA	HMDB2010	NA	NA
+HMDB11840	Ganglioside GD2 (d18:0/18:0)	C79H141N3O34	1675.939697	NA	HMDB2010	NA	NA
+HMDB12067	Ganglioside GT3 (d18:1/12:0)	C75H130N4O37	1678.841431	NA	HMDB2010	NA	NA
+3115	adrenocorticotropin hormone fr,:1-14	SYSMEHFRWGKPVG	1679.7714	celiac toxic	Inhouse_peptide	NA	peptide
+7418	coeliac toxic peptide	QLQPFPQPQLPYPQ	1679.849	antioxidative	Inhouse_peptide	NA	peptide
+HMDB12052	Ganglioside GT3 (d18:0/12:0)	C75H132N4O37	1680.857056	NA	HMDB2010	NA	NA
+7756	anticoagulant peptide from marine echiuroid worm	GELTPESGPDLFVHFLDGNPSYSLYADAVPR	1681.2943	MH2+	Inhouse_peptide	NA	peptide
+5393	rugosin B	SLFSLIKAGAKFLGKNLLKQGAQYAACKVSKECG	1682.45045	MH2+	Inhouse_peptide	NA	peptide
+5465	aurein 3,3,1	FDIVKKIAGHIVSSIG	1682.9559	ACE inhibitor	Inhouse_peptide	NA	peptide
+3930	aurein 2,4	GLFDIVKKVVGTIAGLG	1685.9908	neuropeptide	Inhouse_peptide	NA	peptide
+3934	aurein 2,6,	GLFDIAKKVIGVIGSLG	1685.9919	neuropeptide	Inhouse_peptide	NA	peptide
+5472	aurein 2,6	GLFDIAKKVIGVIGSLG	1685.9919	ACE inhibitor	Inhouse_peptide	NA	peptide
+7723	NA	NKLASVYALTPSLRVG	1687.9469	antioxidative	Inhouse_peptide	NA	peptide
+8206	Antioxidin-RL - peptide from frog skin (Odorrana livida)	AMRLTYNRPCIYAT	1688.7993	NA  ;SYN:(Dimethylamino)acetate; (Dimethylamino)acetic acid; 2-(Dimethylamino)acetate; 2-(Dimethylamino)acetic acid; Dimethylglycine; N,N-Dimethylaminoacetate; N,N-Dimethylaminoacetic acid; N,N-Dimethylglycine; N-Methylsarcosine N,N-dimethyl-GlycineH2Blood; Urine	Inhouse_peptide	NA	peptide
+3152	erythropoietin receptor agonist peptide	EGCRRGWVGQCKAWFN	1689.8329	celiac toxic	Inhouse_peptide	NA	peptide
+2640	synthetic fr, of human beta-CN (39-52) ACE inhibitor	KIYPSFQPQPLIYP	1689.896	NA	Inhouse_peptide	NA	peptide
+3323	NA	ELYENKPRRPYIL	1689.9049	celiac toxic	Inhouse_peptide	NA	peptide
+2765	rabbit defensin NP-3A	GICACRRRFCPNSERFSGYCRVNGARYVRCCSRR	1691.40185	MH2+	Inhouse_peptide	NA	peptide
+3198	Corticostatin	GICACRRRFCPNSERFSGYCRVNGARYVRCCSRR	1691.40185	MH2+	Inhouse_peptide	NA	peptide
+5338	sapecin B	LTCEIDRSLCLLHCRLKGYLRAYCSQQKVCRCVQ	1691.45595	MH2+	Inhouse_peptide	NA	peptide
+7425	coeliac toxic peptide	PQQPQQSFPQQPQR	1692.815	antioxidative	Inhouse_peptide	NA	peptide
+7416	coeliac toxic peptide	QQFPQPQQPFPQQP	1693.802	antioxidative	Inhouse_peptide	NA	peptide
+7426	coeliac toxic peptide	QQPFPQQPQQPFPQ	1693.802	antioxidative	Inhouse_peptide	NA	peptide
+7427	coeliac toxic peptide	QQPFPQQPQQPFPQ	1693.802	antioxidative	Inhouse_peptide	NA	peptide
+2833	paradaxin from pacific sole Pardachirus pavoninus	GFFALIPKIISSPLFKTLLSAVGSALSSSGEQE~	1696.41945	MH2+	Inhouse_peptide	NA	peptide
+3899	temporin L	FVQWFSKFLGRILG	1696.9299	neuropeptide	Inhouse_peptide	NA	peptide
+7856	NA	YGGFLRRQQFKVVT	1697.92	ACE inhibitor	Inhouse_peptide	NA	peptide
+C17409	Chinese gallotannin	C76H52O46	1700.173	NA	KEGG	NA	NA
+3555	a-hemoglobin (33-46)	FLGFPTTKTYFPHF	1701.8369	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB04927	Ganglioside GD2 (d18:1/20:0)	C80H142N4O34	1702.95056	http://www.hmdb.ca/metabolites/HMDB04927	HMDB	NA	NA
+HMDB04927	Ganglioside GD2 (d18:1/20:0)	C80H142N4O34	1702.95056	HMDB04927	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04927	Ganglioside GD2 (d18:1/20:0)	C80H142N4O34	1702.950562	NA	HMDB2010	NA	NA
+HMDB11843	Ganglioside GD2 (d18:0/20:0)	C81H145N3O34	1703.970947	NA	HMDB2010	NA	NA
+5319	aurein 2,5	GLFDIVKKVVGAFGSLG	1705.9598	binding	Inhouse_peptide	NA	peptide
+5471	aurein 2,5	GLFDIVKKVVGAFGSLG	1705.9598	ACE inhibitor	Inhouse_peptide	NA	peptide
+6998	potential coeliac toxic peptide (extended motif)	QPFRPQQPYPQPQP	1706.834	antioxidative	Inhouse_peptide	NA	peptide
+6999	potential coeliac toxic peptide (extended motif)	PFRPQQPYPQPQPQ	1706.834	antioxidative	Inhouse_peptide	NA	peptide
+HMDB12068	Ganglioside GT3 (d18:1/14:0)	C77H134N4O37	1706.872681	NA	HMDB2010	NA	NA
+HMDB12053	Ganglioside GT3 (d18:0/14:0)	C77H136N4O37	1708.888306	NA	HMDB2010	NA	NA
+C08034	Quinupristin-dalfopristin	C53H67N9O10S	1711.803	NA	KEGG	NA	NA
+C08035	Transferred to D00855	C53H67N9O10S	1711.803	NA	KEGG	NA	NA
+C08036	Transferred to D00856	C53H67N9O10S	1711.803	NA	KEGG	NA	NA
+C08037	Benzalkonium chloride	C9H13NR	1711.803	NA	KEGG	NA	NA
+C08038	Transferred to D00858	C9H13NR	1711.803	NA	KEGG	NA	NA
+3687	NA	STRSESRHPFPWLL	1711.864	ACE inhibitor	Inhouse_peptide	NA	peptide
+7885	peptide from soybean b-conglycinin (Glycine max)	LNSGDALRVPSGTTYY	1712.8218	antibacterial	Inhouse_peptide	NA	peptide
+3228	bovine lactoferrin fr,79-93	AGIYGTKESPQTHYY	1713.782	celiac toxic	Inhouse_peptide	NA	peptide
+MetaCyc04445	N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate- D-alanyl-D-alanine-diphosphoundecaprenol []	C87H143N7O23P2	1715.971057	NA	metacyc	NA	NA
+MetaCyc04446	N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptane- D-alanyl-D-alanine-diphosphoundecaprenol [lipid intermediate I;undecaprenyl-pyrophosphoryl-MurNAc-pentapeptide;]	C87H143N7O23P2	1715.971057	NA	metacyc	NA	NA
+C05897	Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-	C87H143N7O23P2	1715.9711	NA	KEGG	NA	NA
+7786	peptide from bovine prion protein	MVKSKIGSWILVLFVAMWSDVGLCKKRPKP	1716.43785	MH2+	Inhouse_peptide	NA	peptide
+8092	peptide derived from bovine aS2-casein	EEEKNRLTKKTKLT	1716.9549	ACE inhibitor	Inhouse_peptide	NA	peptide
+3610	NA	LKKLKKLKKKLLKL	1721.256	ACE inhibitor	Inhouse_peptide	NA	peptide
+5495	histatin 2	RKFHEKHHSHREFPFYGDYGSNYLYDN	1721.27185	MH2+	Inhouse_peptide	NA	peptide
+7419	coeliac toxic peptide	PQQPFPQPQQPFRQ	1721.845	antioxidative	Inhouse_peptide	NA	peptide
+5502	Phormicin A	ATCDLLSGTGINHSACAAHCLLRGNRGGYCNGKGVCVCRN	1722.8917	MH2+	Inhouse_peptide	NA	peptide
+2832	paradaxin from pacific sole Pardachirus pavoninus	GFFALIPKIISSPLFKTLLSAVGSALSSSGEQEG	1725.422	MH2+	Inhouse_peptide	NA	peptide
+3185	dermaseptin, skin extract from frogs	ALWKTMLKKLGTMALHAGKAALGAAADTISQGTQ	1726.4203	MH2+	Inhouse_peptide	NA	peptide
+3809	NA	LQSGDALRVPSGTTYY	1726.8369	ACE inhibitor	Inhouse_peptide	NA	peptide
+2764	rabbit NP-3B defensin	GRCVCRKQLLCSYRERRIGDCKIRGVRFPFCCPR	1727.49645	MH2+	Inhouse_peptide	NA	peptide
+8256	f(180-207) of bovine alpha s2-casein	LKTVYQHQKAMKPWIQPKTKVIPYVRYL 	1727.9692	MH2+	Inhouse_peptide	NA	peptide
+8337	Cr3	LKTVYQHQKAMKPWIQPKTKVIPYVRYL	1727.9692	MH2+	Inhouse_peptide	NA	peptide
+HMDB11854	Ganglioside GD2 (d18:1/22:1(13Z))	C83H145N3O34	1727.970947	NA	HMDB2010	NA	NA
+7428	coeliac toxic peptide	QQPFVQQQQPFVQQ	1728.84	antioxidative	Inhouse_peptide	NA	peptide
+3231	bombolitin V from venom of bumble bee (Megabombus	INVLGILGLLGKALSHL~	1729.0829	celiac toxic	Inhouse_peptide	NA	peptide
+FL7AAAGL0052	Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)caffeyl)-D-glucopyranoside]]-5-O-[beta-D-glucopyranoside]	C78H89O44	1729.4726	-	knapsack	NA	NA
+5418	murine lactoferrin LFM	EKCLRWQNEMRKVGG	1729.8883	ACE inhibitor	Inhouse_peptide	NA	peptide
+5499	sapecin	ATCDLLSGTGINHSACAAHCLLRGNRGGYCNGKAVCVCRN	1729.8998	MH2+	Inhouse_peptide	NA	peptide
+HMDB11845	Ganglioside GD2 (d18:0/22:1(13Z))	C83H147N3O34	1729.986572	NA	HMDB2010	NA	NA
+C10222	[Epicatechin-(4beta->8)]5-epicatechin	C90H74O36	1730.396	NA	KEGG	NA	NA
+C17630	Cinnamtannin A4	C90H74O36	1730.396	NA	KEGG	NA	NA
+HMDB04928	Ganglioside GD2 (d18:1/22:0)	C82H146N4O34	1730.98181	http://www.hmdb.ca/metabolites/HMDB04928	HMDB	NA	NA
+HMDB04928	Ganglioside GD2 (d18:1/22:0)	C82H146N4O34	1730.98181	HMDB04928	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04928	Ganglioside GD2 (d18:1/22:0)	C82H146N4O34	1730.981812	NA	HMDB2010	NA	NA
+7850	NA	YGGFMTSEKSQTPLVTLFKNAIIKNAYKKGE	1731.3991	MH2+	Inhouse_peptide	NA	peptide
+HMDB11844	Ganglioside GD2 (d18:0/22:0)	C83H149N3O34	1732.002197	NA	HMDB2010	NA	NA
+HMDB06650	Lacto-N-decaose	C95H168N4O23	1733.20996	http://www.hmdb.ca/metabolites/HMDB06650	HMDB	NA	NA
+HMDB06650	Lacto-N-decaose	C95H168N4O23	1733.20996	HMDB06650	PFEM_hmdb_metabocards_official	NA	NA
+HMDB06650	Lacto-N-decaose	C95H168N4O23	1733.209961	NA	HMDB2010	NA	NA
+2850	NA	FGGFTGRIPKLWDNQ	1734.8678	antibacterial	Inhouse_peptide	NA	peptide
+HMDB12069	Ganglioside GT3 (d18:1/16:0)	C79H138N4O37	1734.903931	NA	HMDB2010	NA	NA
+C07970	Ivermectin	C48H74O14	1735.0001	NA	KEGG	NA	NA
+5412	dermaseptin 2	ALWFTMLKKLGTMALHAGKAALGAAANTISQGTQ	1735.4153	MH2+	Inhouse_peptide	NA	peptide
+HMDB12054	Ganglioside GT3 (d18:0/16:0)	C79H140N4O37	1736.919678	NA	HMDB2010	NA	NA
+7047	aurein 3,1	GLFDIVKKIAGHIAGSI	1737.9979	antioxidative	Inhouse_peptide	NA	peptide
+3549	NA	SFLLRNPNDKYEPF	1738.8527	ACE inhibitor	Inhouse_peptide	NA	peptide
+2768	NA	KNNQKSEPLIGRKKT	1739.9828	antibacterial	Inhouse_peptide	NA	peptide
+5483	beta-defensin 12	GPLSCGRNGGVCIPIRCPVPMRQIGTCFGRPVKCCRSW	1742.46215	MH2+	Inhouse_peptide	NA	peptide
+HMDB11855	Ganglioside GD2 (d18:1/23:0)	C84H149N3O34	1744.002197	NA	HMDB2010	NA	NA
+3619	NA	VRVPVPQLQPQNPSQQQPQEQVPLPQQQQF	1744.89295	MH2+	Inhouse_peptide	NA	peptide
+7463	coeliac toxic peptide	VRVPVPQLQPQNPSQQQPQEQVPLVQQQQF	1745.90095	MH2+	Inhouse_peptide	NA	peptide
+HMDB11846	Ganglioside GD2 (d18:0/23:0)	C84H151N3O34	1746.017944	NA	HMDB2010	NA	NA
+5522	Protegrin 1	RGGRLCYCRRRFCVCVGR	1747.02	antioxidative	Inhouse_peptide	NA	peptide
+7429	coeliac toxic peptide	QQPPFSQQQQPVLPQ	1748.866	antioxidative	Inhouse_peptide	NA	peptide
+3878	Cryptdin-1	LRDLVCYCRSRGCKGRERMNGTCRKGHLLYTLCCR	1750.4646	MH2+	Inhouse_peptide	NA	peptide
+HMDB11792	Ganglioside GD1a (d18:1/12:0)	C79H137N3O39	1751.882935	NA	HMDB2010	NA	NA
+HMDB11822	Ganglioside GD1b (d18:1/12:0)	C79H137N3O39	1751.882935	NA	HMDB2010	NA	NA
+5385	esculentin-2A	GILSLVKGVAKLAGKGLAKEGGKFGLELIACKIAKQC	1752.562	MH2+	Inhouse_peptide	NA	peptide
+7431	coeliac toxic peptide	QQPPFSEEEEPVLPQ	1752.802	antioxidative	Inhouse_peptide	NA	peptide
+7448	coeliac toxic peptide	GSVQPQQQLPQFEIR	1753.894	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11777	Ganglioside GD1a (d18:0/12:0)	C79H139N3O39	1753.89856	NA	HMDB2010	NA	NA
+HMDB11807	Ganglioside GD1b (d18:0/12:0)	C79H139N3O39	1753.89856	NA	HMDB2010	NA	NA
+5487	ceratotoxin D	SIGTAVKKAVPIAKKVGKVAIPIAKAVLSVVGQLVG	1754.59545	MH2+	Inhouse_peptide	NA	peptide
+3590	heparin-binding peptide	FKCAAWQWAMKKLGA	1754.8594	ACE inhibitor	Inhouse_peptide	NA	peptide
+5386	esculentin-2B	GIFSLVKGAAKLAGKGLAKEGGKFGLELIACKIAKQC	1755.53845	MH2+	Inhouse_peptide	NA	peptide
+8232	Antioxidative peptide	IAAEVYEHTEGSTTSY	1756.762	NA  ;SYN:(2S,3R)-(-)-Threonine; (2S,3R)-2-Amino-3-hydroxybutyrate; (2S,3R)-2-Amino-3-hydroxybutyric acid; (R-(R*,S*))-2-Amino-3-hydroxybutanoate; (R-(R*,S*))-2-Amino-3-hydroxybutanoic acid; (S)-Threonine; 2-Amino-3-hydroxybutanoate; 2-Amino-3-hydroxybutanoic acid; 2-Amino-3-hydroxybutyrate; 2-Amino-3-hydroxybutyric acid; L-(-)-Threonine; L-2-Amino-3-hydroxybutyrate; L-2-Amino-3-hydroxybutyric acid; L-alpha-Amino-beta-hydroxybutyrate; L-alpha-Amino-beta-hydroxybutyric acid;  Threonin; Threonine; [R-(R*,S*)]-2-Amino-3-hydroxybutanoate; [R-(R*,S*)]-2-Amino-3-hydroxybutanoic acid; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoate; [R-(R*,S*)]-2-amino-3-hydroxy-Butanoic acidH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB04929	Ganglioside GD2 (d18:1/24:1(15Z))	C84H148N4O34	1756.997559	NA	HMDB2010	NA	NA
+HMDB04929	Ganglioside GD2 (d18:1/24:1(15Z))	C84H148N4O34	1756.99756	http://www.hmdb.ca/metabolites/HMDB04929	HMDB	NA	NA
+HMDB04929	Ganglioside GD2 (d18:1/24:1(15Z))	C84H148N4O34	1756.99756	HMDB04929	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11848	Ganglioside GD2 (d18:0/24:1(15Z))	C85H151N3O34	1758.017944	NA	HMDB2010	NA	NA
+HMDB04932	Ganglioside GD2 (d18:1/24:0)	C84H150N4O34	1759.01318	http://www.hmdb.ca/metabolites/HMDB04932	BANQUES_PLASMA_Inhousejuill11&PFEMBLOOD	NA	blood/plasma
+HMDB04932	Ganglioside GD2 (d18:1/24:0)	C84H150N4O34	1759.01318	http://www.hmdb.ca/metabolites/HMDB04932	HMDB	NA	NA
+HMDB04932	Ganglioside GD2 (d18:1/24:0)	C84H150N4O34	1759.01318	http://www.hmdb.ca/metabolites/HMDB04932	PFEM_hmdb_metabocards_blood	NA	blood
+HMDB04932	Ganglioside GD2 (d18:1/24:0)	C84H150N4O34	1759.01318	HMDB04932	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04932	Ganglioside GD2 (d18:1/24:0)	C84H150N4O34	1759.013184	NA	HMDB2010	NA	NA
+C08642	Heavenly blue anthocyanin	C79H91O45	1759.4832	NA	KEGG	NA	NA
+FL7AADGL0001	Heavenly blue anthocyanin	C79H91O45	1759.4832	79620-69-2	knapsack	NA	NA
+HMDB11847	Ganglioside GD2 (d18:0/24:0)	C85H153N3O34	1760.033569	NA	HMDB2010	NA	NA
+6985	sapecin C	ATCDLLSGIGVQHSACALHCVFRGNRGGYCTGKGICVCRN	1760.42735	MH2+	Inhouse_peptide	NA	peptide
+HMDB12071	Ganglioside GT3 (d18:1/18:1(11Z))	C81H140N4O37	1760.919678	NA	HMDB2010	NA	NA
+HMDB12072	Ganglioside GT3 (d18:1/18:1(9Z))	C81H140N4O37	1760.919678	NA	HMDB2010	NA	NA
+HMDB12056	Ganglioside GT3 (d18:0/18:1(11Z))	C81H142N4O37	1762.935303	NA	HMDB2010	NA	NA
+HMDB12057	Ganglioside GT3 (d18:0/18:1(9Z))	C81H142N4O37	1762.935303	NA	HMDB2010	NA	NA
+HMDB12070	Ganglioside GT3 (d18:1/18:0)	C81H142N4O37	1762.935303	NA	HMDB2010	NA	NA
+8186	anticancer peptide	AYRNRYRRQYRY	1763.8949	NA  ;SYN:Monoiodotyrosine; 3-Iodo-L-tyrosine; MIT; 3-Monoiodo-L-tyrosine; 3-Iodotyrosine; 3-Iodo-4-hydroxyphenylalanine; IYR; 3-iodo-tyrosine; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid; 4-Hydroxy-3-iodophenylalanine; L-Tyrosine-3-iodo; (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoateH2Blood	Inhouse_peptide	NA	peptide
+7430	coeliac toxic peptide	QQPPFSQQQQLVLPQ	1764.898	antioxidative	Inhouse_peptide	NA	peptide
+HMDB12055	Ganglioside GT3 (d18:0/18:0)	C81H144N4O37	1764.950928	NA	HMDB2010	NA	NA
+7432	coeliac toxic peptide	QQPPFSEQEQLVLPQ	1766.866	antioxidative	Inhouse_peptide	NA	peptide
+5463	aurein 3,2	GLFDIVKKIAGHIASSI	1768.0089	ACE inhibitor	Inhouse_peptide	NA	peptide
+5417	NA	KWKLFKKIGAVLKVL	1770.147	ACE inhibitor	Inhouse_peptide	NA	peptide
+5376	gaegurin 4	GILDTLKQFAKGVGKDLVKGAAQGVLSTVSCKLAKTC	1770.5178	MH2+	Inhouse_peptide	NA	peptide
+5482	beta-defensin 11	GPLSCRRNGGVCIPIRCPGPMRQIGTCFGRPVKCCRSW	1770.97865	MH2+	Inhouse_peptide	NA	peptide
+5503	Phormicin B	ATCDLLSGTGINHSACAAHCLLRGNRGGYCNRKGVCVCRN	1772.43175	MH2+	Inhouse_peptide	NA	peptide
+HMDB04934	Ganglioside GD2 (d18:1/25:0)	C85H152N4O34	1773.028809	NA	HMDB2010	NA	NA
+HMDB04934	Ganglioside GD2 (d18:1/25:0)	C85H152N4O34	1773.02881	http://www.hmdb.ca/metabolites/HMDB04934	HMDB	NA	NA
+HMDB04934	Ganglioside GD2 (d18:1/25:0)	C85H152N4O34	1773.02881	HMDB04934	PFEM_hmdb_metabocards_official	NA	NA
+7457	coeliac toxic peptide	WQQQPPFSQEQPQF	1773.793	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11849	Ganglioside GD2 (d18:0/25:0)	C86H155N3O34	1774.049194	NA	HMDB2010	NA	NA
+5434	human lactoferricin (LFh 18-31)	TKCFQWQRNMRKVR	1776.9523	ACE inhibitor	Inhouse_peptide	NA	peptide
+7439	coeliac toxic peptide	QQPPFSQQQQQPLPQ	1777.856	antioxidative	Inhouse_peptide	NA	peptide
+7422	coeliac toxic peptide	QYQPYPEQQQPFVQ	1778.808	antioxidative	Inhouse_peptide	NA	peptide
+7421	coeliac toxic peptide	QYQPYPEQQEPFVQ	1779.792	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11793	Ganglioside GD1a (d18:1/14:0)	C81H141N3O39	1779.914185	NA	HMDB2010	NA	NA
+HMDB11823	Ganglioside GD1b (d18:1/14:0)	C81H141N3O39	1779.914185	NA	HMDB2010	NA	NA
+3466	angiogenin fragment:108-122	ENGLPVHLDQSIFRR	1779.9229	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11778	Ganglioside GD1a (d18:0/14:0)	C81H143N3O39	1781.929932	NA	HMDB2010	NA	NA
+HMDB11808	Ganglioside GD1b (d18:0/14:0)	C81H143N3O39	1781.929932	NA	HMDB2010	NA	NA
+3764	heparin-binding peptide	FACAAWQWRMKKLGA	1782.8664	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB04930	Ganglioside GD2 (d18:1/26:1(15Z))	C86H152N4O34	1785.028809	NA	HMDB2010	NA	NA
+HMDB04930	Ganglioside GD2 (d18:1/26:1(15Z))	C86H152N4O34	1785.02881	http://www.hmdb.ca/metabolites/HMDB04930	HMDB	NA	NA
+HMDB04930	Ganglioside GD2 (d18:1/26:1(15Z))	C86H152N4O34	1785.02881	HMDB04930	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11851	Ganglioside GD2 (d18:0/26:1(17Z))	C87H155N3O34	1786.049194	NA	HMDB2010	NA	NA
+2816	PEP inhibitor	GVQVETISPGDGRTFPK	1786.9028	NA	Inhouse_peptide	NA	peptide
+HMDB04931	Ganglioside GD2 (d18:1/26:0)	C86H154N4O34	1787.04443	http://www.hmdb.ca/metabolites/HMDB04931	HMDB	NA	NA
+HMDB04931	Ganglioside GD2 (d18:1/26:0)	C86H154N4O34	1787.04443	HMDB04931	PFEM_hmdb_metabocards_official	NA	NA
+HMDB04931	Ganglioside GD2 (d18:1/26:0)	C86H154N4O34	1787.044434	NA	HMDB2010	NA	NA
+3230	bombolitin V from venom of bumble bee (Megabombus	INVLGILGLLGKALSHLG	1787.0879	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11850	Ganglioside GD2 (d18:0/26:0)	C87H157N3O34	1788.064819	NA	HMDB2010	NA	NA
+3943	defensin from Mytilus edulis	GFGCPNNYQCHRHCKSIPGRCGGYCGGWHRLRCTCYRGC	1790.38585	MH2+	Inhouse_peptide	NA	peptide
+C12034	Chlorobiphenyl-chloroeremomycin	C86H97Cl3N10O26	1790.5641	NA	KEGG	NA	NA
+HMDB12073	Ganglioside GT3 (d18:1/20:0)	C83H146N4O37	1790.966553	NA	HMDB2010	NA	NA
+5330	defensin from Mytilus edulis	GFGCPNNYACHQHCKSIRGYCGGYCAGWFRLRCTCYRCG	1792.87245	MH2+	Inhouse_peptide	NA	peptide
+5403	formaecin 1	GRPNPVNNKPTPHPRL	1792.9626	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB12058	Ganglioside GT3 (d18:0/20:0)	C83H148N4O37	1792.9823	NA	HMDB2010	NA	NA
+3935	aurein 3,1	GLFDIVKKIAGHIAGGSI~	1794.0349	neuropeptide	Inhouse_peptide	NA	peptide
+5473	aurein 3,1	GLFDIVKKIAGHIAGSIG	1795.0189	ACE inhibitor	Inhouse_peptide	NA	peptide
+3939	aurein 3,3	GLFDIVKKIAGHIVSSI~	1795.0559	neuropeptide	Inhouse_peptide	NA	peptide
+5464	aurein 3,3	GLFDIVKKIAGHIVSSI	1796.0399	ACE inhibitor	Inhouse_peptide	NA	peptide
+C13908	Diphosphoryl hexaacyl lipid A	C94H178N2O25P2	1797.2194	NA	KEGG	NA	NA
+7446	coeliac toxic peptide	FPQTQQPQQLFPQSQ	1800.861	antioxidative	Inhouse_peptide	NA	peptide
+5444	tryptophan-modified murine lactoferricin (LFM W8)	EKCLRWQWEMRKVGG	1801.9244	ACE inhibitor	Inhouse_peptide	NA	peptide
+5394	rugosin C	GILDSFKQFAKGVGKDLIKGAAQGVLSTMSCKLAKTC	1803.4966	MH2+	Inhouse_peptide	NA	peptide
+3237	bombolitin II from venom of bumble bee (Megabombus	SKITDILAKLGKVLAHV~	1804.1129	celiac toxic	Inhouse_peptide	NA	peptide
+2641	synthetic fr,of human beta-CN (38-52) ACE inhibitor	DKIYPSFQPQPLIYP	1804.9229	NA	Inhouse_peptide	NA	peptide
+5530	GAFP	DPTCSVLGDFKCNPGRCCSKINYCGACYQWRFGLTPAR	1805.41075	MH2+	Inhouse_peptide	NA	peptide
+5421	formaecin 2	GRPNPVNTKPTPYPRL	1805.9718	ACE inhibitor	Inhouse_peptide	NA	peptide
+3208	cecropin B analog (CB-3)	AIAVLGEAKALMGRNIRNGIVKAGPAIAVLGEAKALG	1806.04065	MH2+	Inhouse_peptide	NA	peptide
+HMDB11794	Ganglioside GD1a (d18:1/16:0)	C83H145N3O39	1807.945557	NA	HMDB2010	NA	NA
+HMDB11824	Ganglioside GD1b (d18:1/16:0)	C83H145N3O39	1807.945557	NA	HMDB2010	NA	NA
+2889	NA	FGGFTGARKSARKLANQ	1807.9639	antibacterial	Inhouse_peptide	NA	peptide
+7857	NA	FGGFTGARKSARKLANQ	1807.9639	ACE inhibitor	Inhouse_peptide	NA	peptide
+C16044	Nociceptin	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16045	RFamide-related peptide 2	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16046	Galanin-like peptide	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16047	Motilin	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16048	Glucagon-like peptide 1	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16049	Glucagon-like peptide 2	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16050	Glicentin	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16051	Parathyroid hormone	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16052	Parathyroid hormone-related peptide (1-36)	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16053	Tuberoinfundibular peptide of 39 residues	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16054	Defensin alpha-1	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16055	Defensin alpha-2	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16056	Defensin alpha-3	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16057	Defensin alpha-4	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16058	Defensin alpha-5	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16059	Defensin beta-1	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16060	Defensin beta-2	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16061	Defensin beta-3	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16062	Defensin beta-4	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16063	Liver-expressed antimicrobial peptide 1	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16064	Liver-expressed antimicrobial peptide 2	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16065	Thymosin alpha-1	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16066	Thymosin beta-4	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16067	Thymosin beta-10	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+C16068	Humanin	C79H129N27O22	1807.9805	NA	KEGG	NA	NA
+3950	myticin A from Mytilin edulis	HSHACTSYWCGKFCGTASCTHYLCRVLHPGKMCACVHCSR	1809.39625	MH2+	Inhouse_peptide	NA	peptide
+2842	orphanin FQ/nociceptin peptide (FQ/N)	FGGFTGARKSARKLADE	1809.9319	antibacterial	Inhouse_peptide	NA	peptide
+HMDB11779	Ganglioside GD1a (d18:0/16:0)	C83H147N3O39	1809.961182	NA	HMDB2010	NA	NA
+HMDB11809	Ganglioside GD1b (d18:0/16:0)	C83H147N3O39	1809.961182	NA	HMDB2010	NA	NA
+8109	peptide derived from hoki frame protein (Johnius belengerii)	ESTVPERTHPACPDFN	1815.7678	ACE inhibitor	Inhouse_peptide	NA	peptide
+2676	NA	GGVYACRMGPITWVCSPLGG	1816.9124	antibacterial	Inhouse_peptide	NA	peptide
+HMDB12075	Ganglioside GT3 (d18:1/22:1(13Z))	C85H148N4O37	1816.9823	NA	HMDB2010	NA	NA
+HMDB12060	Ganglioside GT3 (d18:0/22:1(13Z))	C85H150N4O37	1818.997925	NA	HMDB2010	NA	NA
+HMDB12074	Ganglioside GT3 (d18:1/22:0)	C85H150N4O37	1818.997925	NA	HMDB2010	NA	NA
+3820	smooth muscles contracting peptide	WWGKKYRASKLGLAR	1819.021	ACE inhibitor	Inhouse_peptide	NA	peptide
+3683	NA	KFIVTLRVIKAGPHSPTAQIIVELKNGRKLSLD	1820.56385	MH2+	Inhouse_peptide	NA	peptide
+HMDB12059	Ganglioside GT3 (d18:0/22:0)	C85H152N4O37	1821.01355	NA	HMDB2010	NA	NA
+2852	NA	YGGFTGARKSARKLANQ	1823.9589	antibacterial	Inhouse_peptide	NA	peptide
+2942	NA	YGGFTGARKSARKLANQ	1823.9589	celiac toxic	Inhouse_peptide	NA	peptide
+3819	NA	SQQQQPPFSQQQQPPFSQQQQPPFSQQQPPF	1825.843	MH2+	Inhouse_peptide	NA	peptide
+7776	Streptococcus mutans inhibitor	QGRVEVLYRGSWGTVC	1825.874	antioxidative	Inhouse_peptide	NA	peptide
+3912	uperin 3,6	GVIDAAKKVVNVLKNLF~	1826.0977	neuropeptide	Inhouse_peptide	NA	peptide
+3917	uperin 3,6	GVIDAAKKVVNVLKNLF~	1826.0977	neuropeptide	Inhouse_peptide	NA	peptide
+3107	adrenocorticotropin hormone fr, 7-38	FRWGKPVGKKRRPVKVYPNGAEDESAEAFPLE	1828.44835	MH2+	Inhouse_peptide	NA	peptide
+5478	Beta-defensin 1	DFASCHTNGGICLPNRCPGHMIQIGICFRPRVKCCRSW	1828.458	MH2+	Inhouse_peptide	NA	peptide
+7462	coeliac toxic peptide	VQQQQFPGQQQPFPPQQPYPQPQPFPSQQPY	1831.8625	MH2+	Inhouse_peptide	NA	peptide
+3673	NA	RHITSLEVIKAGPHSPTAQLITATLKNGRKISLD	1832.5254	MH2+	Inhouse_peptide	NA	peptide
+HMDB12076	Ganglioside GT3 (d18:1/23:0)	C86H152N4O37	1833.01355	NA	HMDB2010	NA	NA
+8170	peptide derived from bovine aS2-casein (1-32)	KNTMEHVSSSEESIISQETYKQEKNMAINPSK	1833.36375	MH2+	Inhouse_peptide	NA	peptide
+HMDB11796	Ganglioside GD1a (d18:1/18:1(11Z))	C85H147N3O39	1833.961182	NA	HMDB2010	NA	NA
+HMDB11797	Ganglioside GD1a (d18:1/18:1(9Z))	C85H147N3O39	1833.961182	NA	HMDB2010	NA	NA
+HMDB11826	Ganglioside GD1b (d18:1/18:1(11Z))	C85H147N3O39	1833.961182	NA	HMDB2010	NA	NA
+HMDB11827	Ganglioside GD1b (d18:1/18:1(9Z))	C85H147N3O39	1833.961182	NA	HMDB2010	NA	NA
+3239	bombolitin I from venom of bumble bee (Megabombus	IKITTMLAKLGKVLAHV~	1834.1414	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12061	Ganglioside GT3 (d18:0/23:0)	C86H154N4O37	1835.029175	NA	HMDB2010	NA	NA
+HMDB11781	Ganglioside GD1a (d18:0/18:1(11Z))	C85H149N3O39	1835.976807	NA	HMDB2010	NA	NA
+HMDB11782	Ganglioside GD1a (d18:0/18:1(9Z))	C85H149N3O39	1835.976807	NA	HMDB2010	NA	NA
+HMDB11795	Ganglioside GD1a (d18:1/18:0)	C85H149N3O39	1835.976807	NA	HMDB2010	NA	NA
+HMDB11811	Ganglioside GD1b (d18:0/18:1(11Z))	C85H149N3O39	1835.976807	NA	HMDB2010	NA	NA
+HMDB11812	Ganglioside GD1b (d18:0/18:1(9Z))	C85H149N3O39	1835.976807	NA	HMDB2010	NA	NA
+HMDB11825	Ganglioside GD1b (d18:1/18:0)	C85H149N3O39	1835.976807	NA	HMDB2010	NA	NA
+2853	NA	YGGFLGARKSARKLANQ	1835.9958	antibacterial	Inhouse_peptide	NA	peptide
+2930	NA	YGGFLGARKSARKLANQ	1835.9958	celiac toxic	Inhouse_peptide	NA	peptide
+5443	tryptophan-modified caprine lactoferricin (LFC W8)	SKCYQWQWRMRKLGA	1836.9414	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB12255	Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol	C102H170N2O22P2	1837.171997	NA	HMDB2010	NA	NA
+MetaCyc04447	mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol [&alpha;-D-mannosylchitobiosyldiphosphodolichol;{&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;&beta;-1,4-D-mannosylchitobiosyldiphosphodolichol;]	C102H170N2O22P2	1837.172048	NA	metacyc	NA	NA
+HMDB11780	Ganglioside GD1a (d18:0/18:0)	C85H151N3O39	1837.992432	NA	HMDB2010	NA	NA
+HMDB11810	Ganglioside GD1b (d18:0/18:0)	C85H151N3O39	1837.992432	NA	HMDB2010	NA	NA
+3589	heparin-binding peptide	FACRRWQWRMAALGA	1838.8804	ACE inhibitor	Inhouse_peptide	NA	peptide
+7424	coeliac toxic peptide	PQQPQQSFPQQQRPF	1839.883	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04448	KDO2-lipid IVA []	C84H154N2O37P2	1844.970567	NA	metacyc	NA	NA
+C06025	Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)	C84H154N2O37P2	1844.9706	NA	KEGG	NA	NA
+HMDB12078	Ganglioside GT3 (d18:1/24:1(15Z))	C87H152N4O37	1845.01355	NA	HMDB2010	NA	NA
+2683	NA	GGTYSCHFGPATWVCKPQGG	1845.86	antibacterial	Inhouse_peptide	NA	peptide
+3151	erythropoietin receptor agonist peptide	REGCRRGWVGQCKAWFN	1845.9338	celiac toxic	Inhouse_peptide	NA	peptide
+8295	Fatty acid synthase inhibitor	RKQEEDEDEEQQRE	1846.7758	NA  ;SYN:4,4'-Dithiobis; DL-Homocystine; HomocystineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB12063	Ganglioside GT3 (d18:0/24:1(15Z))	C87H154N4O37	1847.029175	NA	HMDB2010	NA	NA
+HMDB12077	Ganglioside GT3 (d18:1/24:0)	C87H154N4O37	1847.029175	NA	HMDB2010	NA	NA
+5427	Viscotoxin 1-PS	KSCCPBTTGRBIYBTCRFGGGSRZVCARISGCKIISASTCPSYPBK	1847.9995	MH2+	Inhouse_peptide	NA	peptide
+3050	kinases inhibitor	YCQRTLREIQILLRF	1848.059	celiac toxic	Inhouse_peptide	NA	peptide
+2685	NA	GGTYSCHFGPLTFVCKPQGG	1848.896	antibacterial	Inhouse_peptide	NA	peptide
+2945	NA	FGGFTGARRPKLWDNQ	1848.9218	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12062	Ganglioside GT3 (d18:0/24:0)	C87H156N4O37	1849.0448	NA	HMDB2010	NA	NA
+2943	NA	FGGFTGARKSARKLDNQ	1851.9537	celiac toxic	Inhouse_peptide	NA	peptide
+3936	aurein 3,1	GLFDIVKKIAGHIAGGSIG	1852.0399	neuropeptide	Inhouse_peptide	NA	peptide
+3940	aurein 3,3	GLFDIVKKIAGHIVSSIG	1853.0609	neuropeptide	Inhouse_peptide	NA	peptide
+8231	Antioxidative peptide	PIAAEVYEHTEGSTTSY	1853.814	NA  ;SYN:(-)-(S)-Proline; (-)-2-Pyrrolidinecarboxylate; (-)-2-Pyrrolidinecarboxylic acid; (-)-Proline; (S)-(-)-Proline; (S)-(-)-Pyrrolidine-2-carboxylate; (S)-(-)-Pyrrolidine-2-carboxylic acid; (S)-2-Carboxypyrrolidine; (S)-2-Pyrralidinecarboxylate; (S)-2-Pyrralidinecarboxylic acid; (S)-2-Pyrrolidinecarboxylate; (S)-2-Pyrrolidinecarboxylic acid; (S)-Proline; 2-Pyrrolidinecarboxylate; 2-Pyrrolidinecarboxylic acid; ProlineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+3690	NA	VRQWNLTEFVLDTHP	1853.9258	ACE inhibitor	Inhouse_peptide	NA	peptide
+2595	tachylepsin III from homocytes of horse shoe crab	KWCFRVCYRGICYRRCR~	1854.061	NA	Inhouse_peptide	NA	peptide
+2888	NA	AEPGADDAEEVEQKQLQ	1855.8258	antibacterial	Inhouse_peptide	NA	peptide
+5346	Abaecin	VPLPNVPQPGRRPFPTFPGQGPFNPKIKWPQGY	1856.47535	MH2+	Inhouse_peptide	NA	peptide
+5404	Antimicrobial peptide MBP-1	RSGRGECRRQCLRRHEGQPWETQECMRRCRRRG	1857.9647	MH2+	Inhouse_peptide	NA	peptide
+3868	vespa-like peptide from R, Erythraea	FLPLLFGALSAILPKIF~	1858.1329	neuropeptide	Inhouse_peptide	NA	peptide
+3234	bombolitin III from venom of bumble bee (Megabombu	IKIMDILAKLGKVLAHV~	1860.1583	celiac toxic	Inhouse_peptide	NA	peptide
+3074	human amylin	LCNTNTCATQRLANFLVHSSNNFGAILSSTNVGSNTTG	1860.4126	MH2+	Inhouse_peptide	NA	peptide
+HMDB12079	Ganglioside GT3 (d18:1/25:0)	C88H156N4O37	1861.0448	NA	HMDB2010	NA	NA
+2684	NA	GGTYSCHFGALTWVCKPQGG	1861.892	antibacterial	Inhouse_peptide	NA	peptide
+3236	bombolitin II from venom of bumble bee (Megabombus	SKITDILAKLGKVLAHVG	1862.1179	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12064	Ganglioside GT3 (d18:0/25:0)	C88H158N4O37	1863.060547	NA	HMDB2010	NA	NA
+5420	tryptophan-modified human lactoferricin (LFH W8)	TKCFQWQWNMRKVRG	1863.9513	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11798	Ganglioside GD1a (d18:1/20:0)	C87H153N3O39	1864.008179	NA	HMDB2010	NA	NA
+HMDB11828	Ganglioside GD1b (d18:1/20:0)	C87H153N3O39	1864.008179	NA	HMDB2010	NA	NA
+2807	PEP inhibitor	MPPPLPARVDFSLAGALN	1864.9712	NA	Inhouse_peptide	NA	peptide
+HMDB11783	Ganglioside GD1a (d18:0/20:0)	C87H155N3O39	1866.023804	NA	HMDB2010	NA	NA
+HMDB11813	Ganglioside GD1b (d18:0/20:0)	C87H155N3O39	1866.023804	NA	HMDB2010	NA	NA
+7460	coeliac toxic peptide	LQQPQQPQFQPQQQF	1868.898	antioxidative	Inhouse_peptide	NA	peptide
+5480	beta-defensin 8	VRNFVTCRINRGFCVPIRCPGHRRQIGTCLGPQIKCCR	1869.0774	MH2+	Inhouse_peptide	NA	peptide
+C10210	Agrimoniin	C82H54O52	1870.1581	NA	KEGG	NA	NA
+3475	alpha amylase ligand from Hordeum vulgare	TRWLVYFSRPYLVAT	1870.994	ACE inhibitor	Inhouse_peptide	NA	peptide
+3232	bombolitin IV from venom of bumble bee (Megabombus	INIKDILAKLVKVLGHV~	1871.1918	celiac toxic	Inhouse_peptide	NA	peptide
+5337	myticin B from Mytilum edulis	HPHVCTSYYCSKFCGTAGCTRYGCRNLHRGKLCFCLHCSR	1871.46095	MH2+	Inhouse_peptide	NA	peptide
+C10229	Gemin A	C82H56O52	1872.1738	NA	KEGG	NA	NA
+HMDB12081	Ganglioside GT3 (d18:1/26:1(17Z))	C89H156N4O37	1873.0448	NA	HMDB2010	NA	NA
+3467	andropin from Drosphila melanogaster	VFIDILDKVENAIHNAAQVGIGFAKPFEKLINPK	1874.0243	MH2+	Inhouse_peptide	NA	peptide
+C05894	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C94H157N9O25P2	1874.0766	NA	KEGG	NA	NA
+C10218	Coriariin A	C82H58O52	1874.1894	NA	KEGG	NA	NA
+C10240	Rugosin D	C82H58O52	1874.1894	NA	KEGG	NA	NA
+HMDB12066	Ganglioside GT3 (d18:0/26:1(17Z))	C89H158N4O37	1875.060547	NA	HMDB2010	NA	NA
+HMDB12080	Ganglioside GT3 (d18:1/26:0)	C89H158N4O37	1875.060547	NA	HMDB2010	NA	NA
+C05893	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C94H156N8O26P2	1875.0606	NA	KEGG	NA	NA
+MetaCyc04449	N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine [N-acetyl-muramoyl-(pentapeptide)-N-acetylglucosamine-diphosphoundecaprenol;lipid intermediate II;undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-N-acetylglucosamine;GlcNAc-(1->4)-MurNAc(oyl-L-Ala-&gamma;-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol;]	C94H156N8O26P2	1875.0606	NA	metacyc	NA	NA
+C13587	Teicoplanin A2-1	C88H95Cl2N9O33	1875.5409	NA	KEGG	NA	NA
+3465	angiogenin fragment:108-123	ENGLPVHLDQSIFRRP	1876.9749	ACE inhibitor	Inhouse_peptide	NA	peptide
+2965	maculatin 2,1, from Litoria genimaculata	GFVDFLKKVAGTIANVVT~	1877.0598	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12065	Ganglioside GT3 (d18:0/26:0)	C89H160N4O37	1877.076172	NA	HMDB2010	NA	NA
+C12046	Teicoplanin A2-2	C88H97Cl2N9O33	1877.5566	NA	KEGG	NA	NA
+C13588	Teicoplanin A2-3	C88H97Cl2N9O33	1877.5566	NA	KEGG	NA	NA
+C13589	Transferred to D02079	C88H97Cl2N9O33	1877.5566	NA	KEGG	NA	NA
+C13590	Transferred to D02080	C88H97Cl2N9O33	1877.5566	NA	KEGG	NA	NA
+3059	Immunostimulating peptide	YQQPVLGPVRGPFPIIV	1879.054	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12037	Ganglioside GT2 (d18:1/12:0)	C84H144N4O42	1880.925537	NA	HMDB2010	NA	NA
+8312	Anticancer peptide	ENLLRFFVAPFPEVFG	1880.9659	NA  ;SYN:Homo-L-citrulline; Homocitrulline; L-Homocitrulline; N-e-Carbamyl-L-lysine; N6-carbamoyl-L-Lysine; N6-carbamoyl-Lysine; N-epsilon-Carbamyl-L-lysineH2Blood	Inhouse_peptide	NA	peptide
+2944	NA	FGGFTGARKSALKWDNQ	1881.9318	celiac toxic	Inhouse_peptide	NA	peptide
+2598	tachylepsin II from homocytes of horse shoe crab	RWCFRVCYRGICYRRCR~	1882.068	NA	Inhouse_peptide	NA	peptide
+HMDB12022	Ganglioside GT2 (d18:0/12:0)	C84H146N4O42	1882.941162	NA	HMDB2010	NA	NA
+5445	tryptophan-modified porcine lactoferricin (LFP W8)	SKCRQWQWKIRRTNP	1883.0228	ACE inhibitor	Inhouse_peptide	NA	peptide
+3913	uperin 3,6	GVIDAAKKVVNVLKNLFG	1884.1027	neuropeptide	Inhouse_peptide	NA	peptide
+3918	uperin 3,6	GVIDAAKKVVNVLKNLFG	1884.1027	neuropeptide	Inhouse_peptide	NA	peptide
+3685	NA	ANIKISGKWKAQKRFLKMSGNFDLSIEGMSISAD	1884.97215	MH2+	Inhouse_peptide	NA	peptide
+5423	lebocin 1/2	DLRFLYPRGKLPVPTPPPFNPKPIYIDMGNRY	1885.4945	MH2+	Inhouse_peptide	NA	peptide
+2678	NA	GGTYSCHFGPLTWVCKPQGG	1887.907	antibacterial	Inhouse_peptide	NA	peptide
+7450	coeliac toxic peptide	QQPIQPQQFPQQQFF	1887.908	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11800	Ganglioside GD1a (d18:1/22:1(13Z))	C89H155N3O39	1890.023804	NA	HMDB2010	NA	NA
+HMDB11830	Ganglioside GD1b (d18:1/22:1(13Z))	C89H155N3O39	1890.023804	NA	HMDB2010	NA	NA
+C13610	Teicoplanin A2-4	C89H99Cl2N9O33	1891.5722	NA	KEGG	NA	NA
+C13611	Transferred to D02100	C89H99Cl2N9O33	1891.5722	NA	KEGG	NA	NA
+C13612	Teicoplanin A2-5	C89H99Cl2N9O33	1891.5722	NA	KEGG	NA	NA
+HMDB11785	Ganglioside GD1a (d18:0/22:1(13Z))	C89H157N3O39	1892.039429	NA	HMDB2010	NA	NA
+HMDB11799	Ganglioside GD1a (d18:1/22:0)	C89H157N3O39	1892.039429	NA	HMDB2010	NA	NA
+HMDB11815	Ganglioside GD1b (d18:0/22:1(13Z))	C89H157N3O39	1892.039429	NA	HMDB2010	NA	NA
+HMDB11829	Ganglioside GD1b (d18:1/22:0)	C89H157N3O39	1892.039429	NA	HMDB2010	NA	NA
+3476	alpha amylase ligand from Hordeum vulgare	IVRHLFLHVYPRVLM	1892.0814	ACE inhibitor	Inhouse_peptide	NA	peptide
+3238	bombolitin I from venom of bumble bee (Megabombus	IKITTMLAKLGKVLAHVG	1892.1464	celiac toxic	Inhouse_peptide	NA	peptide
+5424	lebocin 3	DLRFLYPRGKLPVPTLPPFNPKPIYIDMGNRY	1893.5105	MH2+	Inhouse_peptide	NA	peptide
+HMDB11784	Ganglioside GD1a (d18:0/22:0)	C89H159N3O39	1894.055054	NA	HMDB2010	NA	NA
+HMDB11814	Ganglioside GD1b (d18:0/22:0)	C89H159N3O39	1894.055054	NA	HMDB2010	NA	NA
+2824	PEP inhibitor	MPPPLPTRVDFSLAGALN	1894.9812	NA	Inhouse_peptide	NA	peptide
+3205	cecropin D from Cecropia (moth)	WNPFKELEKVGQRVRDAVISAGPAVATVAQATALAK~	1895.03845	MH2+	Inhouse_peptide	NA	peptide
+5391	ranalexin	FLGGLIKIVPAMICAVTKKC	1898.1614	ACE inhibitor	Inhouse_peptide	NA	peptide
+3680	NA	ANIKLSVKWKAQKRFLKMSINVDLSDGRELSLD	1901.0364	MH2+	Inhouse_peptide	NA	peptide
+3904	Dm-AMP2	EVCEKASKTWSGNCGNTTGHC	1901.8678	neuropeptide	Inhouse_peptide	NA	peptide
+3053	indolicidin from bovine granulocytes	ILPWKWPWWPWRR~	1905.031	celiac toxic	Inhouse_peptide	NA	peptide
+5345	Indolicidin	ILPWKWPWWPWRR	1906.015	antibacterial	Inhouse_peptide	NA	peptide
+HMDB11801	Ganglioside GD1a (d18:1/23:0)	C90H159N3O39	1906.055054	NA	HMDB2010	NA	NA
+HMDB11831	Ganglioside GD1b (d18:1/23:0)	C90H159N3O39	1906.055054	NA	HMDB2010	NA	NA
+3688	NA	VRRQIVEYKHRLTLP	1907.105	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11786	Ganglioside GD1a (d18:0/23:0)	C90H161N3O39	1908.070679	NA	HMDB2010	NA	NA
+HMDB11816	Ganglioside GD1b (d18:0/23:0)	C90H161N3O39	1908.070679	NA	HMDB2010	NA	NA
+5363	Antibacterial peptide CM-IV	RWKIFKKIEKVGQNIRDGIVKAGPAVAVVGQAATIG	1908.5979	MH2+	Inhouse_peptide	NA	peptide
+HMDB12038	Ganglioside GT2 (d18:1/14:0)	C86H148N4O42	1908.956787	NA	HMDB2010	NA	NA
+3187	cystatin S (94-109)	KKQLCSFEIYEVPWED	1909.929	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12023	Ganglioside GT2 (d18:0/14:0)	C86H150N4O42	1910.972412	NA	HMDB2010	NA	NA
+2596	tachylepsin III from homocytes of horse shoe crab	KWCFRVCYRGICYRRCRG	1912.0659	NA	Inhouse_peptide	NA	peptide
+3096	fragment of laminin A chain:2091-2108	CSRARKQAASIKVAVSADR	1913.0769	celiac toxic	Inhouse_peptide	NA	peptide
+5484	beta-defensin 13	SGISGPLSCGRNGGVCIPIRCPVPMRQIGTCFGRPVKCCRSW	1914.54665	MH2+	Inhouse_peptide	NA	peptide
+3207	cecropin B from Cecropia (moth)	KWKVFKKIEKMGRNIRNGIVKAGPAIAVLGEAKAL~	1916.1311	MH2+	Inhouse_peptide	NA	peptide
+3869	vespa-like peptide from R, Erythraea	FLPLLFGALSAILPKIFG	1916.1379	neuropeptide	Inhouse_peptide	NA	peptide
+HMDB11803	Ganglioside GD1a (d18:1/24:1(15Z))	C91H159N3O39	1918.055054	NA	HMDB2010	NA	NA
+HMDB11833	Ganglioside GD1b (d18:1/24:1(15Z))	C91H159N3O39	1918.055054	NA	HMDB2010	NA	NA
+3235	bombolitin III from venom of bumble bee (Megabombu	IKIMDILAKLGKVLAHVG	1918.1633	celiac toxic	Inhouse_peptide	NA	peptide
+C05898	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C95H156N8O28P2	1919.0504	NA	KEGG	NA	NA
+MetaCyc04450	N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptane-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine [GlcNAc-(1->4)-MurNAc-pentapeptide-diphosphoundecaprenol;N-acetyl-muramoyl-(pentapeptide)-N-acetylglucosamine-diphosphoundecaprenol;lipid intermediate II;undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala;undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-N-acetylglucosamine;]	C95H156N8O28P2	1919.050429	NA	metacyc	NA	NA
+HMDB11788	Ganglioside GD1a (d18:0/24:1(15Z))	C91H161N3O39	1920.070679	NA	HMDB2010	NA	NA
+HMDB11802	Ganglioside GD1a (d18:1/24:0)	C91H161N3O39	1920.070679	NA	HMDB2010	NA	NA
+HMDB11818	Ganglioside GD1b (d18:0/24:1(15Z))	C91H161N3O39	1920.070679	NA	HMDB2010	NA	NA
+HMDB11832	Ganglioside GD1b (d18:1/24:0)	C91H161N3O39	1920.070679	NA	HMDB2010	NA	NA
+3638	NA	QQQQPSSQVSFQQPLQQYPLGQGSFRPSQQNPQA	1920.4159	MH2+	Inhouse_peptide	NA	peptide
+3679	NA	ANIKLSVKWKAQKRFLKMSIIVKLNDGRELSLD	1920.59595	MH2+	Inhouse_peptide	NA	peptide
+HMDB11787	Ganglioside GD1a (d18:0/24:0)	C91H163N3O39	1922.086426	NA	HMDB2010	NA	NA
+HMDB11817	Ganglioside GD1b (d18:0/24:0)	C91H163N3O39	1922.086426	NA	HMDB2010	NA	NA
+5362	Cecropin-like peptide B-2	WNPFKELERAGQRVRDAVISAAPAVATVGQAAAIARG	1923.02745	MH2+	Inhouse_peptide	NA	peptide
+5515	styelin A	GXFGKAFXSVSNFAKKHKTA	1924.0128	antioxidative	Inhouse_peptide	NA	peptide
+3204	cecropin D from Cecropia (moth)	WNPFKELEKVGQRVRDAVISAGPAVATVAQATALAKG	1924.0409	MH2+	Inhouse_peptide	NA	peptide
+2947	NA	FGGFTGARKSARKWDNQ	1924.9487	celiac toxic	Inhouse_peptide	NA	peptide
+2931	NA	TEPGLEEVGEIEQKQLQ	1925.939	celiac toxic	Inhouse_peptide	NA	peptide
+7858	NA	TEPGLEEVGEIEQKQLQ	1925.939	ACE inhibitor	Inhouse_peptide	NA	peptide
+3675	NA	SIQDLNVSMKLFRKQAKWKIIAKLNDGRELSLD	1928.55735	MH2+	Inhouse_peptide	NA	peptide
+3233	bombolitin IV from venom of bumble bee (Megabombus	INIKDILAKLVKVLGHVG	1929.1968	celiac toxic	Inhouse_peptide	NA	peptide
+5354	Antimicrobial peptide CHP1	GRKSDCFRKSGFCAFLKCPSLTLISGKCSRFYLCCKRIR	1929.59985	MH2+	Inhouse_peptide	NA	peptide
+3993	f(17-47) of bovine lactoferrin 	FKCRRWQWRMKKLGAPSITCVRRAFALECIR	1929.9947	MH2+	Inhouse_peptide	NA	peptide
+C17541	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C96H160N10O26P2	1931.098	NA	KEGG	NA	NA
+7423	coeliac toxic peptide	PQPFRPQQPYPQPQPQ	1931.944	antioxidative	Inhouse_peptide	NA	peptide
+3728	NA	SIQDLNVSLKLFRKQAKWKIIVKLNDGRELSLD	1933.59475	MH2+	Inhouse_peptide	NA	peptide
+3800	NA	SIQFLKVSLNLDRKQAKWKIIVKLNDGRELSLD	1933.59475	MH2+	Inhouse_peptide	NA	peptide
+3801	NA	SIQDLKVSLNLFRKQAKWKIIVKLNDGRELSLD	1933.59475	MH2+	Inhouse_peptide	NA	peptide
+HMDB11804	Ganglioside GD1a (d18:1/25:0)	C92H163N3O39	1934.086426	NA	HMDB2010	NA	NA
+HMDB11834	Ganglioside GD1b (d18:1/25:0)	C92H163N3O39	1934.086426	NA	HMDB2010	NA	NA
+2966	maculatin 2,1, from Litoria genimaculata	GFVDFLKKVAGTIANVVTG	1935.0648	celiac toxic	Inhouse_peptide	NA	peptide
+2848	NA	YGGFLRARKSARKLANQ	1935.0759	antibacterial	Inhouse_peptide	NA	peptide
+3114	adrenocorticotropin hormone fr,: 1-16	SYSMEHFRWGKPVGKK	1935.9594	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11789	Ganglioside GD1a (d18:0/25:0)	C92H165N3O39	1936.102051	NA	HMDB2010	NA	NA
+HMDB11819	Ganglioside GD1b (d18:0/25:0)	C92H165N3O39	1936.102051	NA	HMDB2010	NA	NA
+5366	cecropin B	KWKIFKKIEKVGRNIRNGIIKAGPAVAVLGEAKALG	1936.1554	MH2+	Inhouse_peptide	NA	peptide
+HMDB12039	Ganglioside GT2 (d18:1/16:0)	C88H152N4O42	1936.988159	NA	HMDB2010	NA	NA
+5432	So-D7 (defensin)	GIFFSRKCKTPSKTFKGYCTRDSNCDTSCRYEGYPAGD	1937.93125	MH2+	Inhouse_peptide	NA	peptide
+5512	Cathelin-related antimicrobial peptide(CRAMP)	GLLRKGGEKIGEKLKKIGQKIKNFFQKLVPQPEQ	1938.12745	MH2+	Inhouse_peptide	NA	peptide
+2941	NA	FGGFTGARKSKLKWDNQ	1938.9888	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12024	Ganglioside GT2 (d18:0/16:0)	C88H154N4O42	1939.003784	NA	HMDB2010	NA	NA
+5436	bovine lactoferrin (LFb 17-30)	FKCRRWQWRMKKLG	1939.0144	ACE inhibitor	Inhouse_peptide	NA	peptide
+2679	NA	GGDYHCRMGPLTWVCKPLGG	1939.9543	antibacterial	Inhouse_peptide	NA	peptide
+2597	tachylepsin II from homocytes of horse shoe crab	RWCFRVCYRGICYRRCRG	1940.073	NA	Inhouse_peptide	NA	peptide
+5535	SMAP-34 (cathelicidin)	GLFGRLRDSLQRGGQKILEKAERIWCKIKDIFRG	1941.5979	MH2+	Inhouse_peptide	NA	peptide
+2689	NA	GGLYLCRFGPVTWDCGYKGG	1941.9559	celiac toxic	Inhouse_peptide	NA	peptide
+3674	NA	SIQDLNVSMKLFRKQAKWKILVKLNDGRELSLD	1942.5729	MH2+	Inhouse_peptide	NA	peptide
+3677	NA	SIQDLNVSMKLFRKQAKWKLIVKLNDGRELSLD	1942.5729	MH2+	Inhouse_peptide	NA	peptide
+3681	NA	SIQDLNVSMKLFRKQAKWKIIVKLNDGRELSLD	1942.5729	MH2+	Inhouse_peptide	NA	peptide
+3678	NA	SIQDLNVSMKLFRKQAKWKINVKLNDGRELSLD	1943.05235	MH2+	Inhouse_peptide	NA	peptide
+2680	NA	VGNYMCHFGPITWVCRPGGG	1943.9283	antibacterial	Inhouse_peptide	NA	peptide
+3206	cecropin B from Cecropia (moth)	KWKVFKKIEKMGRNIRNGIVKAGPAIAVLGEAKALG	1945.13355	MH2+	Inhouse_peptide	NA	peptide
+HMDB11806	Ganglioside GD1a (d18:1/26:1(17Z))	C93H163N3O39	1946.086426	NA	HMDB2010	NA	NA
+HMDB11836	Ganglioside GD1b (d18:1/26:1(17Z))	C93H163N3O39	1946.086426	NA	HMDB2010	NA	NA
+C17550	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C97H161N9O27P2	1946.0977	NA	KEGG	NA	NA
+C17551	2-Polyprenyl-6-hydroxyphenol	C11H14O2	1946.0977	NA	KEGG	NA	NA
+C17552	2-Polyprenyl-6-methoxyphenol	C12H16O2	1946.0977	NA	KEGG	NA	NA
+HMDB11791	Ganglioside GD1a (d18:0/26:1(17Z))	C93H165N3O39	1948.102051	NA	HMDB2010	NA	NA
+HMDB11805	Ganglioside GD1a (d18:1/26:0)	C93H165N3O39	1948.102051	NA	HMDB2010	NA	NA
+HMDB11821	Ganglioside GD1b (d18:0/26:1(17Z))	C93H165N3O39	1948.102051	NA	HMDB2010	NA	NA
+HMDB11835	Ganglioside GD1b (d18:1/26:0)	C93H165N3O39	1948.102051	NA	HMDB2010	NA	NA
+3806	NA	SIQKLNVSMKLFRKQAKWKIIVKLNDGRELSLD	1949.10645	MH2+	Inhouse_peptide	NA	peptide
+3676	NA	SIQDLNVSMKLFRKQAKWKIILKLNDGRELSLD	1949.58095	MH2+	Inhouse_peptide	NA	peptide
+3802	NA	SIQDLNLSMKLFRKQAKWKIIVKLNDGRELSLD	1949.58095	MH2+	Inhouse_peptide	NA	peptide
+3740	NA	SIQDLKVSMKLFRKQAKWKIIVKLNDGRELSLD	1949.5985	MH2+	Inhouse_peptide	NA	peptide
+HMDB11790	Ganglioside GD1a (d18:0/26:0)	C93H167N3O39	1950.117676	NA	HMDB2010	NA	NA
+HMDB11820	Ganglioside GD1b (d18:0/26:0)	C93H167N3O39	1950.117676	NA	HMDB2010	NA	NA
+8112	peptide derived from lecithin-free egg yolk	LELHKLRSSHWFSRR	1951.05	neuropeptide	Inhouse_peptide	NA	peptide
+5481	beta-defensin 10	QGVRSYLSCWGNRGICLLNRCPGRMRQIGTCLAPRVKCCR	1952.59105	MH2+	Inhouse_peptide	NA	peptide
+3104	fragment of beta-amyloid protein:1-16	DAEFRHDSGYQVHHQK	1952.8698	celiac toxic	Inhouse_peptide	NA	peptide
+3102	fragment of beta-amyloid protein:12-28	VHHQKLVFFAEDVGSNK	1953.9878	celiac toxic	Inhouse_peptide	NA	peptide
+7477	33mer coeliac toxic peptide	LQLQPFPQPQLPYPQPQLPYPQPQLPYPQPQPF	1954.5005	MH2+	Inhouse_peptide	NA	peptide
+5364	Cecropin A	RWKLFKKIEKVGRNVRDGLIKAGPAIAVIGQAKSLG	1958.15635	MH2+	Inhouse_peptide	NA	peptide
+3150	erythropoietin receptor agonist peptide	DREGCRRGWVGQCKAWFN	1960.9608	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12041	Ganglioside GT2 (d18:1/18:1(11Z))	C90H154N4O42	1963.003784	NA	HMDB2010	NA	NA
+HMDB12042	Ganglioside GT2 (d18:1/18:1(9Z))	C90H154N4O42	1963.003784	NA	HMDB2010	NA	NA
+MetaCyc04451	alamethicin []	C93H154N22O24	1963.150634	NA	metacyc	NA	NA
+HMDB12026	Ganglioside GT2 (d18:0/18:1(11Z))	C90H156N4O42	1965.019409	NA	HMDB2010	NA	NA
+HMDB12027	Ganglioside GT2 (d18:0/18:1(9Z))	C90H156N4O42	1965.019409	NA	HMDB2010	NA	NA
+HMDB12040	Ganglioside GT2 (d18:1/18:0)	C90H156N4O42	1965.019409	NA	HMDB2010	NA	NA
+8345	fragment 17-48 of bovine lactoferrin	FKCRRWQWRMKKLGAPSITCVRRAFALECIRA	1965.5132	MH2+	Inhouse_peptide	NA	peptide
+2815	PEP inhibitor	MTPPPLPARVDFSLAGALN	1966.0182	NA	Inhouse_peptide	NA	peptide
+C08977	Saponoside D	C87H138O49	1966.8307	NA	KEGG	NA	NA
+HMDB12025	Ganglioside GT2 (d18:0/18:0)	C90H158N4O42	1967.035034	NA	HMDB2010	NA	NA
+3694	NA	ANIKLSVEMKLFKRHLKWKIIVKLNDGRELSLD	1967.1245	MH2+	Inhouse_peptide	NA	peptide
+2958	maiganin related peptide PGLA	GMASKAGAIAGKIAKVALKAL~	1967.1904	celiac toxic	Inhouse_peptide	NA	peptide
+5508	beta-defensin 9	QGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLAPQIKCCR	1968.6249	MH2+	Inhouse_peptide	NA	peptide
+5525	hepcidin 25 ( LEAP-1)	DTHFPICIFCCGCCHRSKCGMCCKT	1970.9962	antioxidative	Inhouse_peptide	NA	peptide
+5498	Gallinacin 1	GRKSDCFRKSGFCAFLKCPSLTLISGKCSRFYLCCKRIWG	1973.09935	MH2+	Inhouse_peptide	NA	peptide
+2970	maculatin 1,1,1 from Litoria genimaculata	FVGLAKVAAHVVPAIAEHF~	1974.1021	celiac toxic	Inhouse_peptide	NA	peptide
+5470	beta-defensin 7	QGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLGPRIKCCR	1975.63845	MH2+	Inhouse_peptide	NA	peptide
+2946	NA	FGGFTGARRPKLKWDNQ	1977.0157	celiac toxic	Inhouse_peptide	NA	peptide
+2856	NA	YGGFLRRIKSARKLANQ	1977.1229	antibacterial	Inhouse_peptide	NA	peptide
+7442	coeliac toxic peptide	PLVQQQFLGQQQPFPPQ	1979.007	antioxidative	Inhouse_peptide	NA	peptide
+3990	Accutin	GAQCTAGPCCWPCEGTICRRARGDDLDDYCNGISADCPRNPYY	1981.91565	MH2+	Inhouse_peptide	NA	peptide
+5433	So-D1 (defensin)	XTCESPSHKFKGPCATNRNCES	1985.9368	ACE inhibitor	Inhouse_peptide	NA	peptide
+8127	peptide derived from muscle protein of bullfrog (Rana catesbeiana Shaw)	LEQQVDDLEGSLEQEKK	1986.9568	anticancer	Inhouse_peptide	NA	peptide
+3991	f(1-16 of bovine lactoferrin 	APRKNVRWCTISQPEW	1986.9689	antithrombotic	Inhouse_peptide	NA	peptide
+3477	alpha amylase ligand from Hordeum vulgare	PRHVFYRWFLSNPRI	1987.0539	ACE inhibitor	Inhouse_peptide	NA	peptide
+8230	Antioxidative peptide	IANNEADAISLDGGQVFEAG	1989.9126	NA  ;SYN:(-)-(S)-Proline; (-)-2-Pyrrolidinecarboxylate; (-)-2-Pyrrolidinecarboxylic acid; (-)-Proline; (S)-(-)-Proline; (S)-(-)-Pyrrolidine-2-carboxylate; (S)-(-)-Pyrrolidine-2-carboxylic acid; (S)-2-Carboxypyrrolidine; (S)-2-Pyrralidinecarboxylate; (S)-2-Pyrralidinecarboxylic acid; (S)-2-Pyrrolidinecarboxylate; (S)-2-Pyrrolidinecarboxylic acid; (S)-Proline; 2-Pyrrolidinecarboxylate; 2-Pyrrolidinecarboxylic acid; ProlineH2Blood; Cerebrospinal Fluid; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB12043	Ganglioside GT2 (d18:1/20:0)	C92H160N4O42	1993.050659	NA	HMDB2010	NA	NA
+8313	Anticancer peptide	NENLLRFFVAPFPEVFG	1995.0088	NA  ;SYN:Homo-L-citrulline; Homocitrulline; L-Homocitrulline; N-e-Carbamyl-L-lysine; N6-carbamoyl-L-Lysine; N6-carbamoyl-Lysine; N-epsilon-Carbamyl-L-lysineH2Blood	Inhouse_peptide	NA	peptide
+5426	ligatoxin A	KSCCPSTTARNIYNTCRLTGTSRPTCASLSGCKIISGSTCBSGWBH	1995.02185	MH2+	Inhouse_peptide	NA	peptide
+HMDB12028	Ganglioside GT2 (d18:0/20:0)	C92H162N4O42	1995.066406	NA	HMDB2010	NA	NA
+HMDB12118	(Mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol	C108H180N2O27P2	1999.224854	NA	HMDB2010	NA	NA
+MetaCyc04452	(mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->3)-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C108H180N2O27P2	1999.224872	NA	metacyc	NA	NA
+3143	erythropoietin receptor agonist peptide	GLGACRRGWVGHCNDWLNDEYAKKPGYAMPDGYPHNGT	1999.4209	MH2+	Inhouse_peptide	NA	peptide
+3906	NA	RNCESLSHRFKGPCTRDSNC	1999.9777	neuropeptide	Inhouse_peptide	NA	peptide
+3212	cecropin A from Cecropia (moth)	KWKLFKKIEKVGQNIRDGIIKAGPAVAVVGQATQIAK~	2000.6759	MH2+	Inhouse_peptide	NA	peptide
+3153	erythropoietin receptor agonist peptide	DVEACGGGWVGHCNYWLRDEYASKPIKQVPPGNHNQPS	2000.94725	MH2+	Inhouse_peptide	NA	peptide
+2859	NA	YGGFLRRKSARKLANHQ	2001.0969	antibacterial	Inhouse_peptide	NA	peptide
+3799	NA	GILSKLGKALKKAAKHAAKA~	2002.27	ACE inhibitor	Inhouse_peptide	NA	peptide
+3139	erythropoietin receptor agonist peptide	EAQGCRWGWVGNCKEWLGDEYAKNTGTPAEKGKSRNPP	2006.46535	MH2+	Inhouse_peptide	NA	peptide
+7721	NA	GIEALKYHNMDLGTARGY~	2006.9832	antioxidative	Inhouse_peptide	NA	peptide
+7456	coeliac toxic peptide	PLLPQQPFPSQQEQPQF	2007.986	antioxidative	Inhouse_peptide	NA	peptide
+3765	heparin-binding peptide	FKCRRWQWRMKKLGA	2010.0514	ACE inhibitor	Inhouse_peptide	NA	peptide
+3032	calmodulin-binding peptide 	LKKISQRYQKFALPQY	2010.124	celiac toxic	Inhouse_peptide	NA	peptide
+3962	NA	LKKISQRYQKFALPQY	2010.124	ACE inhibitor	Inhouse_peptide	NA	peptide
+8161	f(164-179) of bovine alpha s2-casein	LKKISQRYQKFALPQY	2010.124	antibacterial	Inhouse_peptide	NA	peptide
+5479	beta-defensin 2	VRNHVTCRINRGFCVPIRCPGRTRQIGTCFGPRIKCCRSW	2013.63585	MH2+	Inhouse_peptide	NA	peptide
+8257	f(175-207) of bovine alpha s2-casein	ALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 	2014.1162	MH2+	Inhouse_peptide	NA	peptide
+8338	Cr4	ALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL	2014.1162	MH2+	Inhouse_peptide	NA	peptide
+2793	polyphemusin II from homocytes of horse shoe crab	RRWCFRVCYKGFCYRKCR~	2016.1389	NA	Inhouse_peptide	NA	peptide
+C17549	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C100H166N10O28P2	2017.1348	NA	KEGG	NA	NA
+2940	NA	FGGFTGRIRPKLKWDNQ	2019.0627	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12045	Ganglioside GT2 (d18:1/22:1(13Z))	C94H162N4O42	2019.066406	NA	HMDB2010	NA	NA
+2682	NA	DLEGCRLGWVGHCNVWGGDEYTKRTSHSVPPSHKSKLL	2021.0154	MH2+	Inhouse_peptide	NA	peptide
+HMDB12030	Ganglioside GT2 (d18:0/22:1(13Z))	C94H164N4O42	2021.082031	NA	HMDB2010	NA	NA
+HMDB12044	Ganglioside GT2 (d18:1/22:0)	C94H164N4O42	2021.082031	NA	HMDB2010	NA	NA
+HMDB12029	Ganglioside GT2 (d18:0/22:0)	C94H166N4O42	2023.097656	NA	HMDB2010	NA	NA
+2957	maiganin related peptide PGLA	GMASKAGAIAGKIAKVALKALG	2025.1954	celiac toxic	Inhouse_peptide	NA	peptide
+C06251	Lauroyl-KDO2-lipid IV(A)	C96H176N2O38P2	2027.1376	NA	KEGG	NA	NA
+C06254	Lysophospholipid	C4H7O7PR2	2027.1376	NA	KEGG	NA	NA
+MetaCyc04453	KDO2-(lauroyl)-lipid IVA [lauroyl-KDO2-lipid IV (A);]	C96H176N2O38P2	2027.137632	NA	metacyc	NA	NA
+2851	NA	YGGFLRRIRPKLKLANQ	2029.1899	antibacterial	Inhouse_peptide	NA	peptide
+3211	cecropin A from Cecropia (moth)	KWKLFKKIEKVGQNIRDGIIKAGPAVAVVGQATQIAKG	2029.67835	MH2+	Inhouse_peptide	NA	peptide
+5516	styelin B	GXFGPAFHSVSNFAKKHKTA	2030.0288	antioxidative	Inhouse_peptide	NA	peptide
+2969	maculatin 1,1,1 from Litoria genimaculata	FVGLAKVAAHVVPAIAEHFG	2032.1071	celiac toxic	Inhouse_peptide	NA	peptide
+5500	drosomycin	DCLSGRYKGPCAVWDNETCRRVCKEEGRSSGHCSPSLKCWCEGC	2034.9933	MH2+	Inhouse_peptide	NA	peptide
+HMDB12046	Ganglioside GT2 (d18:1/23:0)	C95H166N4O42	2035.097656	NA	HMDB2010	NA	NA
+C13909	Diphosphoryl heptaacyl lipid A	C110H208N2O26P2	2035.4491	NA	KEGG	NA	NA
+7066	coeliac toxic peptide	QPFPQPQLPYPQPQLPY	2037.016	antioxidative	Inhouse_peptide	NA	peptide
+HMDB12031	Ganglioside GT2 (d18:0/23:0)	C95H168N4O42	2037.113281	NA	HMDB2010	NA	NA
+7778	Streptococcus mutans inhibitor	TFFRLFNRSFTQALGKGGGKNLRIIRKGIHIIKKY	2038.6754	MH2+	Inhouse_peptide	NA	peptide
+7459	coeliac toxic peptide	WFQPSQLNPQAQQDQPQ	2038.9318	antioxidative	Inhouse_peptide	NA	peptide
+3155	erythropoietin receptor agonist peptide	LLQMCSPGWVGHCNDWPRDEYANNPPNPVVDRQALTPP	2039.9734	MH2+	Inhouse_peptide	NA	peptide
+HMDB11977	Ganglioside GT1b (d18:1/12:0)	C90H154N4O47	2042.978394	NA	HMDB2010	NA	NA
+HMDB12007	Ganglioside GT1c (d18:1/12:0)	C90H154N4O47	2042.978394	NA	HMDB2010	NA	NA
+2794	polyphemusin I from homocytes of horse shoe crab	RRWCFRVCYRGFCYRKCR~	2044.146	NA	Inhouse_peptide	NA	peptide
+HMDB11962	Ganglioside GT1b (d18:0/12:0)	C90H156N4O47	2044.994019	NA	HMDB2010	NA	NA
+HMDB11992	Ganglioside GT1c (d18:0/12:0)	C90H156N4O47	2044.994019	NA	HMDB2010	NA	NA
+C17542	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C100H166N12O28P2	2045.141	NA	KEGG	NA	NA
+HMDB12048	Ganglioside GT2 (d18:1/24:1(15Z))	C96H166N4O42	2047.097656	NA	HMDB2010	NA	NA
+3436	Lactoferrampin	WKLLSKAQEKFGKNKSR	2047.1509	ACE inhibitor	Inhouse_peptide	NA	peptide
+2769	NA	YRVRVTPKEKTGPMKEM	2049.0668	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB12033	Ganglioside GT2 (d18:0/24:1(15Z))	C96H168N4O42	2049.113281	NA	HMDB2010	NA	NA
+HMDB12047	Ganglioside GT2 (d18:1/24:0)	C96H168N4O42	2049.113281	NA	HMDB2010	NA	NA
+5344	Bacteriocin sakacin A	ARSYGNGVYCNNKKCWVNRGEATQSIIGGMISGWASGLAGM	2049.99465	MH2+	Inhouse_peptide	NA	peptide
+3646	stimulating g-interferon production peptide	CPQLQPQNPSQQQPQEQG	2050.8939	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB12032	Ganglioside GT2 (d18:0/24:0)	C96H170N4O42	2051.128906	NA	HMDB2010	NA	NA
+3210	cecropin B analog (CB-1)	KWKVFKKIEKMGRNIRNGIVKAGPKWKVFKKIEK~	2055.2241	MH2+	Inhouse_peptide	NA	peptide
+2831	parathyroid hormon (PTH) 1-34	SVSEIQLMHNLGKHLNSMERVEWLRKKLQDVHNF	2057.5542	MH2+	Inhouse_peptide	NA	peptide
+7564	ACE inhibitor	LVYPFPGPIPNSLPQNIPP	2059.0958	antioxidative	Inhouse_peptide	NA	peptide
+3823	NA	GILSKLGKALKKAAKHAAKAG	2060.2749	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB12049	Ganglioside GT2 (d18:1/25:0)	C97H170N4O42	2063.128906	NA	HMDB2010	NA	NA
+7722	NA	GIEALKYHNMDLGTARGYG	2064.9882	antioxidative	Inhouse_peptide	NA	peptide
+3159	erythropoietin receptor agonist peptide	AKVVCRNGWVGHCSAWLTDEYESNPNTRIPNTFDMKTP	2064.99145	MH2+	Inhouse_peptide	NA	peptide
+HMDB12034	Ganglioside GT2 (d18:0/25:0)	C97H172N4O42	2065.144531	NA	HMDB2010	NA	NA
+2849	NA	YGGFLRRIRFARKLANQ	2065.1658	antibacterial	Inhouse_peptide	NA	peptide
+HMDB11978	Ganglioside GT1b (d18:1/14:0)	C92H158N4O47	2071.009521	NA	HMDB2010	NA	NA
+HMDB12008	Ganglioside GT1c (d18:1/14:0)	C92H158N4O47	2071.009521	NA	HMDB2010	NA	NA
+3756	NA	QWGRRCCGWGPGRRYCVRWC	2072.0669	ACE inhibitor	Inhouse_peptide	NA	peptide
+2854	NA	YGGFLRRIRPKRKLANQ	2072.2068	antibacterial	Inhouse_peptide	NA	peptide
+HMDB11963	Ganglioside GT1b (d18:0/14:0)	C92H160N4O47	2073.025391	NA	HMDB2010	NA	NA
+HMDB11993	Ganglioside GT1c (d18:0/14:0)	C92H160N4O47	2073.025391	NA	HMDB2010	NA	NA
+2792	polyphemusin II from homocytes of horse shoe crab	RRWCFRVCYKGFCYRKCRG	2074.144	NA	Inhouse_peptide	NA	peptide
+HMDB12051	Ganglioside GT2 (d18:1/26:1(17Z))	C98H170N4O42	2075.128906	NA	HMDB2010	NA	NA
+HMDB12036	Ganglioside GT2 (d18:0/26:1(17Z))	C98H172N4O42	2077.144531	NA	HMDB2010	NA	NA
+HMDB12050	Ganglioside GT2 (d18:1/26:0)	C98H172N4O42	2077.144531	NA	HMDB2010	NA	NA
+HMDB12035	Ganglioside GT2 (d18:0/26:0)	C98H174N4O42	2079.160156	NA	HMDB2010	NA	NA
+3161	erythropoietin receptor agonist peptide	YSDVCRRGWVGHCEDWLGDEYSSQPSYALPHSTSLNPR	2080.4573	MH2+	Inhouse_peptide	NA	peptide
+5506	beta-defensin 4	QRVRNPQSCRWNMGVCIPFLCRVGMRQIGTCFGPRVPCCRR	2080.6294	MH2+	Inhouse_peptide	NA	peptide
+MetaCyc04454	KDO2-(palmitoleoyl)-lipid IVA []	C100H182N2O38P2	2081.184583	NA	metacyc	NA	NA
+3062	fragment of human beta-casein fr: 1-18	RETIESLSSSEESIPEYK	2082.979	celiac toxic	Inhouse_peptide	NA	peptide
+MetaCyc04455	KDO2-lipid IVB []	C100H184N2O38P2	2083.200233	NA	metacyc	NA	NA
+3209	cecropin B analog (CB-1)	KWKVFKKIEKMGRNIRNGIVKAGPKWKVFKKIEKG	2084.22655	MH2+	Inhouse_peptide	NA	peptide
+3141	erythropoietin receptor agonist peptide	SLEPCRGGWVGHCNEWQRDEYAINPKWPNAPIEDPNPL	2090.4951	MH2+	Inhouse_peptide	NA	peptide
+3156	erythropoietin receptor agonist peptide	DFEDCQGGWVGHCNDWLGDEYARHPRYGATQTLSVNRH	2091.44165	MH2+	Inhouse_peptide	NA	peptide
+3113	adrenocorticotropin hormone fr,:1-17	SYSMEHFRWGKPVGKKR	2092.0603	celiac toxic	Inhouse_peptide	NA	peptide
+5507	beta-defensin 5	QVVRNPQSCRWNMGVCIPISCPGNMRQIGTCFGPRVPCCRRW	2093.09715	MH2+	Inhouse_peptide	NA	peptide
+5388	phylloxin	GWMSKIASGIGTFLSGIGQQG	2094.0393	ACE inhibitor	Inhouse_peptide	NA	peptide
+3144	erythropoietin receptor agonist peptide	EGEVCLPGWVGHCKYWLMDEYANIPRNPTPRSNELKPP	2094.52955	MH2+	Inhouse_peptide	NA	peptide
+5435	human lactoferricin (LFh 20-38)	CFQWQRNMRKVRGPPVSCI	2098.1204	ACE inhibitor	Inhouse_peptide	NA	peptide
+3142	erythropoietin receptor agonist peptide	QVDTCTRGWVGHCNAWMGDEYAKTPGLPPMPQSDYLKPR	2098.99465	MH2+	Inhouse_peptide	NA	peptide
+HMDB11979	Ganglioside GT1b (d18:1/16:0)	C94H162N4O47	2099.041016	NA	HMDB2010	NA	NA
+HMDB12009	Ganglioside GT1c (d18:1/16:0)	C94H162N4O47	2099.041016	NA	HMDB2010	NA	NA
+5425	denclatoxin B	KSCCPTTAARNQYNICRLPGTPRPVCAALSGCKIISGTGCPPGYRH	2099.6284	MH2+	Inhouse_peptide	NA	peptide
+HMDB11964	Ganglioside GT1b (d18:0/16:0)	C94H164N4O47	2101.056641	NA	HMDB2010	NA	NA
+HMDB11994	Ganglioside GT1c (d18:0/16:0)	C94H164N4O47	2101.056641	NA	HMDB2010	NA	NA
+2795	polyphemusin I from homocytes of horse shoe crab	RRWCFRVCYRGFCYRKCRG	2102.1509	NA	Inhouse_peptide	NA	peptide
+3154	erythropoietin receptor agonist peptide	DREGCRRGWVGQCKAWFNDEYAKPPKKPFRNSYSLGPA	2103.5503	MH2+	Inhouse_peptide	NA	peptide
+5547	BMAP-34 (cathelicidin)	AGLFRRLRDSIRRGQQKILEKARRIGERIKDIFRG	2103.72145	MH2+	Inhouse_peptide	NA	peptide
+5343	Bacteriocin pisciolin 126	KYYGNGVSCNKNGCTVDWSKAIGIIGNNAAANLTTGGAAGWNKG	2104.5376	MH2+	Inhouse_peptide	NA	peptide
+5406	Sarcotoxin IA	GWLKKIGKKIERVGQHTRDATIQGLGIAQQAANVAATARG	2105.66285	MH2+	Inhouse_peptide	NA	peptide
+5466	beta-defensin 3	QGVRNHVTCRINRGFCVPIRCPGRTRQIGTCFGPRIKCCRSW	2106.1753	MH2+	Inhouse_peptide	NA	peptide
+8174	peptide derived from bovine b-casein (1-28)	LLYQEPVLGPVRGPFPIIV	2106.206	antibacterial	Inhouse_peptide	NA	peptide
+5428	Viscotoxin A2	KSCCPNTTGRNIYNTCRFGGGSREVCASLSGCKIISASTCPSYPDK	2106.5637	MH2+	Inhouse_peptide	NA	peptide
+7455	coeliac toxic peptide	QVQWPQQQPFPQPQQPF	2107.007	antioxidative	Inhouse_peptide	NA	peptide
+5429	Viscotoxin A3	KSCCPNTTGRNIYNACRLTGAPRPTCAKLSGCKIISGSTCPSDYPK	2107.11525	MH2+	Inhouse_peptide	NA	peptide
+5492	Apidaecin IB	GNNRPVYIPQPRPPHPRL	2107.1367	opioid	Inhouse_peptide	NA	peptide
+C16302	Ternatin A1	C96H107O53	2107.5678	NA	KEGG	NA	NA
+8314	Anticancer peptide	LNENLLRFFVAPFPEVFG	2108.0928	NA  ;SYN:(S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (S)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate; (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoic acid; 3-(3-Hydroxyanthraniloyl)-L-alanine; 3-Anthraniloylalanine; 3-Hydroxy-L-kynurenine; 3-anthraniloyl-Alanine; 3-anthraniloyl-L-alanine; DL-Kynureninefree base; Kynurenin;  Quinurenine; alpha,2-diamino-gamma-oxo-Benzenebutanoate; alpha,2-diamino-gamma-oxo-Benzenebutanoic acid; dl-KynurenineH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+5467	beta-defensin 6	QGVRNHVTCRIYGGFCVPIRCPGRTRQIGTCFGRPVKCCRRW	2108.6719	MH2+	Inhouse_peptide	NA	peptide
+3160	erythropoietin receptor agonist peptide	DLAGCRRGWVGHCSEWLRDEYTSNPRYPVAPSYRLQPP	2112.53835	MH2+	Inhouse_peptide	NA	peptide
+2771	NA	YEKPGSPPREVVPRPRPGV	2116.134	celiac toxic	Inhouse_peptide	NA	peptide
+2855	NA	FGGFTRRIRPKLKWDNQ	2118.1428	antibacterial	Inhouse_peptide	NA	peptide
+5407	Sarcotoxin IB	GWLKKIGKKIERVGQHTRDATIQVIGVAQQAANVAATARG	2119.67845	MH2+	Inhouse_peptide	NA	peptide
+5491	Apidaecin II	GNNRPIYIPQPRPPHPRL	2121.1528	opioid	Inhouse_peptide	NA	peptide
+8336	fragment 165-181of ovine as2-casein	LKKISQRYQKFALPQYL	2123.208	NA  ;SYN:3-(3-hydroxyanthraniloyl)-Alanine; 3-Hydroxy-DL-kynurenine; 3-Hydroxykynurenine; 3-hydroxy-Kynurenine; DL-3-Hydroxykynurenine; Hydroxykynurenine; Hydroxykinurenine; OH-KynurenineH2Blood; Urine	Inhouse_peptide	NA	peptide
+HMDB11981	Ganglioside GT1b (d18:1/18:1(11Z))	C96H164N4O47	2125.056641	NA	HMDB2010	NA	NA
+HMDB11982	Ganglioside GT1b (d18:1/18:1(9Z))	C96H164N4O47	2125.056641	NA	HMDB2010	NA	NA
+HMDB12011	Ganglioside GT1c (d18:1/18:1(11Z))	C96H164N4O47	2125.056641	NA	HMDB2010	NA	NA
+HMDB12012	Ganglioside GT1c (d18:1/18:1(9Z))	C96H164N4O47	2125.056641	NA	HMDB2010	NA	NA
+5367	Cecropin C	GWLKKLGKRIERIGQHTRDATIQGLGIAQQAANVAATARG	2126.6743	MH2+	Inhouse_peptide	NA	peptide
+HMDB11966	Ganglioside GT1b (d18:0/18:1(11Z))	C96H166N4O47	2127.072266	NA	HMDB2010	NA	NA
+HMDB11967	Ganglioside GT1b (d18:0/18:1(9Z))	C96H166N4O47	2127.072266	NA	HMDB2010	NA	NA
+HMDB11980	Ganglioside GT1b (d18:1/18:0)	C96H166N4O47	2127.072266	NA	HMDB2010	NA	NA
+HMDB11996	Ganglioside GT1c (d18:0/18:1(11Z))	C96H166N4O47	2127.072266	NA	HMDB2010	NA	NA
+HMDB11997	Ganglioside GT1c (d18:0/18:1(9Z))	C96H166N4O47	2127.072266	NA	HMDB2010	NA	NA
+HMDB12010	Ganglioside GT1c (d18:1/18:0)	C96H166N4O47	2127.072266	NA	HMDB2010	NA	NA
+5360	cecropin1 (Ceratitis capitata)	GWLKKIGKKIERVGQHTRDATIQTIAVAQQAANVAATARG	2127.6758	MH2+	Inhouse_peptide	NA	peptide
+3031	calmodulin-binding peptide 	KPWIQPKTKVIPYVRYL	2128.237	celiac toxic	Inhouse_peptide	NA	peptide
+3149	erythropoietin receptor agonist peptide	NIQGCIRGWVGQCKDWLRDEYAREHTNQETPNNLLNPP	2129.04125	MH2+	Inhouse_peptide	NA	peptide
+HMDB11965	Ganglioside GT1b (d18:0/18:0)	C96H168N4O47	2129.087891	NA	HMDB2010	NA	NA
+HMDB11995	Ganglioside GT1c (d18:0/18:0)	C96H168N4O47	2129.087891	NA	HMDB2010	NA	NA
+3758	NA	QWGRRCCGWGPGRRYCRRWC	2129.1001	ACE inhibitor	Inhouse_peptide	NA	peptide
+2860	NA	FGGFLRRIRPKLKWDNQ	2130.1797	antibacterial	Inhouse_peptide	NA	peptide
+5523	buforin 1	AGRGKQGGKVRAKAKTRSSRAGLQFPVGRVHRLLRKGNY	2130.2195	MH2+	Inhouse_peptide	NA	peptide
+3145	erythropoietin receptor agonist peptide	DFDVCRRGWVGHCKDWLSDEYASNPSYPVPHSYYLNPP	2131.4822	MH2+	Inhouse_peptide	NA	peptide
+2698	NA	LAIEGPTLRQWLHGNGRDT	2133.0908	celiac toxic	Inhouse_peptide	NA	peptide
+3757	NA	QYGRRCCNWGPGRRYCKWRC	2135.0989	ACE inhibitor	Inhouse_peptide	NA	peptide
+5441	caprine LF (from caprine lactoferrin 271-288)	LRKAQEKFGKNKSQSFQL	2136.1619	ACE inhibitor	Inhouse_peptide	NA	peptide
+2695	NA	TIKGPTLRQWLKSREHTS	2137.157	celiac toxic	Inhouse_peptide	NA	peptide
+5368	Sarcotoxin IC	GWLRKIGKKIERVGQHTRDATIQVLGIAQQAANVAATARG	2140.68995	MH2+	Inhouse_peptide	NA	peptide
+5365	Cecropin B	GWLRKLGKKIERIGQHTRDASIQVLGIAQQAANVAATARG	2140.69045	MH2+	Inhouse_peptide	NA	peptide
+3671	NA	QYRHRCCAWGPGRKYCKRWC	2144.123	ACE inhibitor	Inhouse_peptide	NA	peptide
+2972	maculatin 1,1, from Litoria genimaculata	GLFGVLAKVAAHVVPAIAEHF~	2144.207	celiac toxic	Inhouse_peptide	NA	peptide
+2858	dynorphin A	YGGFLRRIRPKLKWDNQ	2146.1748	antibacterial	Inhouse_peptide	NA	peptide
+3148	erythropoietin receptor agonist peptide	DVHECRPGWVGHCKDWLSDEYASNRRSPEPHRNYPIPP	2146.5198	MH2+	Inhouse_peptide	NA	peptide
+3140	erythropoietin receptor agonist peptide	DVEVCRGGWVGHCNAWLRDEYNRQPKKPVQQQVVYSTR	2147.0823	MH2+	Inhouse_peptide	NA	peptide
+3146	erythropoietin receptor agonist peptide	GKEVCRRGWVGHCQEWPMDEYTRNPSHPVPHNSRHKTP	2150.53345	MH2+	Inhouse_peptide	NA	peptide
+HMDB11983	Ganglioside GT1b (d18:1/20:0)	C98H170N4O47	2155.103516	NA	HMDB2010	NA	NA
+HMDB12013	Ganglioside GT1c (d18:1/20:0)	C98H170N4O47	2155.103516	NA	HMDB2010	NA	NA
+HMDB11968	Ganglioside GT1b (d18:0/20:0)	C98H172N4O47	2157.119141	NA	HMDB2010	NA	NA
+HMDB11998	Ganglioside GT1c (d18:0/20:0)	C98H172N4O47	2157.119141	NA	HMDB2010	NA	NA
+5340	Bacteriocin carnobacteriocin BM1	AISYGNGVYCNKEKCWVNKAENKQAITGIVIGGWASSLAGMGH	2159.08545	MH2+	Inhouse_peptide	NA	peptide
+C05895	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-	C104H172N14O30P2	2159.1839	NA	KEGG	NA	NA
+C05896	Crosslinked peptideglycan	C104H172N14O30P2	2159.1839	NA	KEGG	NA	NA
+7775	Streptococcus mutans inhibitor	QLKTADLPAGRDETTSFVLV	2160.1248	antioxidative	Inhouse_peptide	NA	peptide
+HMDB12119	(Mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol	C114H190N2O32P2	2161.277588	NA	HMDB2010	NA	NA
+MetaCyc04456	(mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C114H190N2O32P2	2161.277695	NA	metacyc	NA	NA
+2686	NA	GNADGPTLRQWLEGRRPKN	2164.1077	antibacterial	Inhouse_peptide	NA	peptide
+8158	ACE inhibitor from beta-CN (104-120)	PKHKEMPFPPKYPVEPFT	2168.0904	antibacterial	Inhouse_peptide	NA	peptide
+5369	Sarcotoxin ID	GWIRDFGKRIERVGQHTRDATIQTIAVAQQAANVAATLKG	2173.1614	MH2+	Inhouse_peptide	NA	peptide
+3822	NA	GLLRRLRKKIGEIFKKYG	2174.335	ACE inhibitor	Inhouse_peptide	NA	peptide
+7053	Cecropin magainin hybrid, synthetic peptide	KWKLFKKIKFLHSAKKF	2176.32	antioxidative	Inhouse_peptide	NA	peptide
+7465	coeliac toxic peptide	AGQQQPFPPQQPYPQPQPF	2179.027	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11985	Ganglioside GT1b (d18:1/22:1(13Z))	C100H172N4O47	2181.119141	NA	HMDB2010	NA	NA
+HMDB12015	Ganglioside GT1c (d18:1/22:1(13Z))	C100H172N4O47	2181.119141	NA	HMDB2010	NA	NA
+5359	Myeloid antibacterial peptide 37(PMAP37 )	GLLSRLRDFLSDRGRRLGEKIERIGQKIKDLSEFFQS	2181.1914	MH2+	Inhouse_peptide	NA	peptide
+HMDB11970	Ganglioside GT1b (d18:0/22:1(13Z))	C100H174N4O47	2183.134766	NA	HMDB2010	NA	NA
+HMDB11984	Ganglioside GT1b (d18:1/22:0)	C100H174N4O47	2183.134766	NA	HMDB2010	NA	NA
+HMDB12000	Ganglioside GT1c (d18:0/22:1(13Z))	C100H174N4O47	2183.134766	NA	HMDB2010	NA	NA
+HMDB12014	Ganglioside GT1c (d18:1/22:0)	C100H174N4O47	2183.134766	NA	HMDB2010	NA	NA
+7739	NA	SPTISITAPIDVLRKTWEQERARKQMVKNREFLNSLN	2184.163	MH2+	Inhouse_peptide	NA	peptide
+HMDB11969	Ganglioside GT1b (d18:0/22:0)	C100H176N4O47	2185.150391	NA	HMDB2010	NA	NA
+HMDB11999	Ganglioside GT1c (d18:0/22:0)	C100H176N4O47	2185.150391	NA	HMDB2010	NA	NA
+3157	erythropoietin receptor agonist peptide	DLEVCRGGWVGHCKDWIWDEYARNPRYPDPQRKEVKSP	2189.07665	MH2+	Inhouse_peptide	NA	peptide
+7466	coeliac toxic peptide	LGQQQAFPPQQPYPQPQPF	2195.059	antioxidative	Inhouse_peptide	NA	peptide
+3242	bombinin-like peptide BLP-2	GIGSAILSAGKSALKGGLAGHFAN~	2195.2	celiac toxic	Inhouse_peptide	NA	peptide
+5347	Abaecin from Bumblebee	FVPYNPPRPGQSKPFPSFPGHGPFNPKIQWPYPLPNPGH	2196.09325	MH2+	Inhouse_peptide	NA	peptide
+HMDB11986	Ganglioside GT1b (d18:1/23:0)	C101H176N4O47	2197.150391	NA	HMDB2010	NA	NA
+HMDB12016	Ganglioside GT1c (d18:1/23:0)	C101H176N4O47	2197.150391	NA	HMDB2010	NA	NA
+5422	drosocin	GKPRPYSPRPTSHPRPIRV	2197.2151	ACE inhibitor	Inhouse_peptide	NA	peptide
+8341	Kappacin fragment	AVESTVATLEDSPEVIESPPE	2198.0289	NA  ;SYN:(+-)-homocysteine; (S)-2-amino-4-mercapto-Butanoic acid; 2-Amino-4-mercaptobutyric acid; 2-amino-4-mercapto-Butanoic acid; 2-amino-4-mercapto-Butyric acid; 2-amino-4-mercapto-DL-Butyrate; 2-amino-4-mercapto-DL-Butyric acid; 2-amino-4-sulfanylbutanoic acid; D,l-homocysteine; DL-2-Amino-4-mercaptobutyric acid; DL-2-amino-4-mercapto-Butyric acid; DL-Homocysteine; DL-homocysteine (free base); HCY; Homo-CYS; L-2-amino-4-mercapto-Butyric acid; L-Homocysteine; Usaf B-12; homocysteine; (S)-2-amino-4-mercapto-Butanoate; 2-amino-4-mercapto-Butanoate; 2-amino-4-sulfanylbutanoateH2Blood; Cerebrospinal Fluid; Urine	Inhouse_peptide	NA	peptide
+HMDB11971	Ganglioside GT1b (d18:0/23:0)	C101H178N4O47	2199.16626	NA	HMDB2010	NA	NA
+HMDB12001	Ganglioside GT1c (d18:0/23:0)	C101H178N4O47	2199.16626	NA	HMDB2010	NA	NA
+7792	18A peptide - lipids binding peptide	DWLKAFYDKVAEKLKEAF	2200.1388	antioxidative	Inhouse_peptide	NA	peptide
+2971	maculatin 1,1, from Litoria genimaculata	GLFGVLAKVAAHVVPAIAEHFG	2202.2119	celiac toxic	Inhouse_peptide	NA	peptide
+8260	f(165-181) of ovine alpha s2-casein	LKKISQYYQKFAWPQYL	2203.165	NA  ;SYN:(-)-Thyroxine; 3,3',5,5''-Tetraiodo-L-thyronine; 3,3',5,5'-Tetraiodo-L-thyronine; 3,5,3',5'-Tetraiodo-L-Thyronine; 3,5,3',5'-Tetraiodothyronine; 3,5,3'5'-Tetraiodo-L-thyronine; DL-Thyroxin; Henning; L-3,5,3',5'-Tetraiodothyronine; L-Thyroxin; L-Thyroxine; Laevothyroxinum; Levothroid; Levothyroxin; Levothyroxine; Levothyroxine sodium; Levothyroxinum; Levoxyl; Prestwick_548; Synthroid; T4; THX; Tetraiodothyronine; Tetramet; Thyratabs; Thyrax; Thyreoideum; Thyroxin; Thyroxinal; Thyroxine; Thyroxine I 125; Thyroxine iodine; d-ThyroxineH2Blood; Saliva; Urine	Inhouse_peptide	NA	peptide
+HMDB11988	Ganglioside GT1b (d18:1/24:1(15Z))	C102H176N4O47	2209.150391	NA	HMDB2010	NA	NA
+HMDB12018	Ganglioside GT1c (d18:1/24:1(15Z))	C102H176N4O47	2209.150391	NA	HMDB2010	NA	NA
+3909	NA	RICRRRSAGFKGPCVSNKNCAQVCMQEGWGGGNCDGPLRRCKCMRRC	2211.1621	MH2+	Inhouse_peptide	NA	peptide
+HMDB11973	Ganglioside GT1b (d18:0/24:1(15Z))	C102H178N4O47	2211.16626	NA	HMDB2010	NA	NA
+HMDB11987	Ganglioside GT1b (d18:1/24:0)	C102H178N4O47	2211.16626	NA	HMDB2010	NA	NA
+HMDB12003	Ganglioside GT1c (d18:0/24:1(15Z))	C102H178N4O47	2211.16626	NA	HMDB2010	NA	NA
+HMDB12017	Ganglioside GT1c (d18:1/24:0)	C102H178N4O47	2211.16626	NA	HMDB2010	NA	NA
+HMDB11972	Ganglioside GT1b (d18:0/24:0)	C102H180N4O47	2213.181885	NA	HMDB2010	NA	NA
+HMDB12002	Ganglioside GT1c (d18:0/24:0)	C102H180N4O47	2213.181885	NA	HMDB2010	NA	NA
+8258	f(172-207) of bovine alpha s2-casein	QKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 	2215.7262	MH2+	Inhouse_peptide	NA	peptide
+8340	Cr7	QKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL	2215.7262	MH2+	Inhouse_peptide	NA	peptide
+5544	Hadrurin	GILDTIKSIASKVWNSKTVQDLKRKGINWVANKLGVSPQAA	2216.73315	MH2+	Inhouse_peptide	NA	peptide
+7454	coeliac toxic peptide	LQQVQQGPQQQPFPQPQPF	2219.091	antioxidative	Inhouse_peptide	NA	peptide
+3987	NA	LGQQQPFPPQQPYPQPQPF	2221.074	opioid	Inhouse_peptide	NA	peptide
+HMDB06625	Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc	C84H138N6O62	2222.782959	NA	HMDB2010	NA	NA
+HMDB06625	Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc	C84H138N6O62	2222.78296	http://www.hmdb.ca/metabolites/HMDB06625	HMDB	NA	NA
+HMDB06625	Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2) Man(1->3)Neu5Ac(2->3)Gal(1->4)GlcNAc(1->2)Man(1->6)Man(1->4)GlcNAc(1->4)GlcNAc	C84H138N6O62	2222.78296	HMDB06625	PFEM_hmdb_metabocards_official	NA	NA
+HMDB11989	Ganglioside GT1b (d18:1/25:0)	C103H180N4O47	2225.181885	NA	HMDB2010	NA	NA
+HMDB12019	Ganglioside GT1c (d18:1/25:0)	C103H180N4O47	2225.181885	NA	HMDB2010	NA	NA
+5536	CAP-7 (cathelicidin)	GLRKRLRKFRNKIKEKLKKIGQKIQGFVPKLAPRTDY	2225.3423	MH2+	Inhouse_peptide	NA	peptide
+HMDB11974	Ganglioside GT1b (d18:0/25:0)	C103H182N4O47	2227.19751	NA	HMDB2010	NA	NA
+HMDB12004	Ganglioside GT1c (d18:0/25:0)	C103H182N4O47	2227.19751	NA	HMDB2010	NA	NA
+46	Hemoglobin	VLSAADKGNVKAAWGKVGGHAAE	2235.183	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11991	Ganglioside GT1b (d18:1/26:1(17Z))	C104H180N4O47	2237.181885	NA	HMDB2010	NA	NA
+HMDB12021	Ganglioside GT1c (d18:1/26:1(17Z))	C104H180N4O47	2237.181885	NA	HMDB2010	NA	NA
+MetaCyc04457	KDO2-lipid A [Re endotoxin;]	C110H202N2O39P2	2237.335998	NA	metacyc	NA	NA
+C06026	Di[3-deoxy-D-manno-octulosonyl]-lipid A	C110H202N2O39P2	2237.336	NA	KEGG	NA	NA
+HMDB11976	Ganglioside GT1b (d18:0/26:1(17Z))	C104H182N4O47	2239.19751	NA	HMDB2010	NA	NA
+HMDB11990	Ganglioside GT1b (d18:1/26:0)	C104H182N4O47	2239.19751	NA	HMDB2010	NA	NA
+HMDB12006	Ganglioside GT1c (d18:0/26:1(17Z))	C104H182N4O47	2239.19751	NA	HMDB2010	NA	NA
+HMDB12020	Ganglioside GT1c (d18:1/26:0)	C104H182N4O47	2239.19751	NA	HMDB2010	NA	NA
+HMDB11975	Ganglioside GT1b (d18:0/26:0)	C104H184N4O47	2241.213135	NA	HMDB2010	NA	NA
+HMDB12005	Ganglioside GT1c (d18:0/26:0)	C104H184N4O47	2241.213135	NA	HMDB2010	NA	NA
+3907	NA	RVCMGKSAGFKGLCMRDQNCAQVCLQEGWGGGNCDGVMRQCKCIRQCW	2244.11745	MH2+	Inhouse_peptide	NA	peptide
+5533	LL-37 (cathelicidin)	LLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES	2245.2754	MH2+	Inhouse_peptide	NA	peptide
+7449	coeliac toxic peptide	FPQHCNYQQQPQTFPQPF	2250.9709	antioxidative	Inhouse_peptide	NA	peptide
+3241	bombinin-like peptide BLP-2	GIGSAILSAGKSALKGGLAGHFANG	2253.2048	celiac toxic	Inhouse_peptide	NA	peptide
+3908	NA	KICRRRSAGFKGPPCMSNKNCAQVCQQEGWGGGNCDGPFRRCKCIRQC	2254.1719	MH2+	Inhouse_peptide	NA	peptide
+7458	coeliac toxic peptide	QSNLPQPAQQPFQPQVPQQP	2256.1079	antioxidative	Inhouse_peptide	NA	peptide
+7048	Golden oyster mushroom, antiviral protein Y3	VYINKLTPPCGTMYYACEAV	2269.0053	antioxidative	Inhouse_peptide	NA	peptide
+3075	human adrenocorticotropin hormone (ACTH)	SYSMEHFRWGKPVGKKRRPVKVYPNGAEDESAEAFPLEF	2269.1162	MH2+	Inhouse_peptide	NA	peptide
+5380	Brevinin-1EB	VIPFVASVAAEMQHVYCAASRKC	2273.1814	antioxidative	Inhouse_peptide	NA	peptide
+7056	Cecropin A-magainin 2 hybrid	KWKLFKKISKFLHLAKKF	2289.404	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04458	KDO2-lipid A, cold adapted [cold adapted KDO(2)-lipid (A);KDO2-(palmitoleoyl-myristoyl)-lipid A;]	C114H208N2O39P2	2291.382948	NA	metacyc	NA	NA
+3247	bombinin from B, Variegata	GIGALSAKGALKGLAKGLAEHFAN~	2292.2878	celiac toxic	Inhouse_peptide	NA	peptide
+5387	esculentin-1B	GIFSKLAGKKLKNLLISGLKNVGKEVGMDVVRTGIDIAGCKIKGEC	2296.82495	MH2+	Inhouse_peptide	NA	peptide
+5401	esculentin-1A	GIFSKLAGKKIKNLLISGLKNVGKEVGMDVVRTGIDIAGCKIKGEC	2296.82495	MH2+	Inhouse_peptide	NA	peptide
+3051	inhibitor blood platelet aggregation	ECESGPCCRNCKFLKEGTICKRARGDDMDDYCNGKTCDCPRNPHKGPAT	2298.61035	MH2+	Inhouse_peptide	NA	peptide
+4017	Echistatin	ECESGPCCRNCKFLKEGTICKRARGDDMDDYCNGKTCDCPRNPHKGPAT	2298.61035	MH2+	Inhouse_peptide	NA	peptide
+7055	P-18	KWKLFKKIPKFLHLAKKF	2299.424	antioxidative	Inhouse_peptide	NA	peptide
+HMDB00652	Chondroitin 4-sulfate	C70H97N5O71S5	2303.273682	NA	HMDB2010	NA	NA
+2823	PEP inhibitor	RYDWWPYGNLFGGHTFISP	2312.0627	NA	Inhouse_peptide	NA	peptide
+5439	chromacin (from chromogranin A)	YPGPQAKEDSEGPSQGPASREK	2314.062	ACE inhibitor	Inhouse_peptide	NA	peptide
+7057	L9-P18, cecropin A-magainin 2 hybrid	KWKLFKKILKFLHLAKKF	2315.456	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04459	(mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C120H200N2O37P2	2323.330518	NA	metacyc	NA	NA
+HMDB12120	(Mannosyl)4-(N-acetylglucosaminyl)2-diphosphodolichol	C120H200N2O37P2	2323.330566	NA	HMDB2010	NA	NA
+5398	brevinin-1	FLPVLAGIAAKVVPALFCKITKKC	2323.4561	ACE inhibitor	Inhouse_peptide	NA	peptide
+5431	So-D6 (defensin)	GIFSNMYXRTPAGYFRGPXGGYXXN	2324.0623	ACE inhibitor	Inhouse_peptide	NA	peptide
+5293	Ct-AMP1	NLCERASLTWTGNCGNTGHCDTQCRNWESAKHGACHRGNWKCFCYFNC	2328.58155	MH2+	Inhouse_peptide	NA	peptide
+3030	calmodulin-binding peptide	AMKPWIQPKTKVIPYVRYL	2330.3144	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11947	Ganglioside GQ1c (d18:1/12:0)	C101H171N5O55	2334.07373	NA	HMDB2010	NA	NA
+HMDB11932	Ganglioside GQ1c (d18:0/12:0)	C101H173N5O55	2336.089355	NA	HMDB2010	NA	NA
+5518	Pyrrhocoricin	VDKGSYLPRPTPPRPIYNRN	2339.2317	antioxidative	Inhouse_peptide	NA	peptide
+5402	esculentin -1	GIFSKLGRKKIKNLLISGLKNVGKEVGMDVVRTGIDIAGCKIKGEC	2339.35695	MH2+	Inhouse_peptide	NA	peptide
+3903	NA	ELCEKASKTWSGNCGNTGHCDNQCKSWEGAAHGACHVRNGKHMCFCYFNC	2348.57395	MH2+	Inhouse_peptide	NA	peptide
+3248	bombinin from B, Variegata	GIGALSAKGALKGLAKGLAEHFANG	2350.293	celiac toxic	Inhouse_peptide	NA	peptide
+5411	bovine lactoferrin (LFb 19-37)	CRRWQWRMKKLGAPSITCV	2352.1724	ACE inhibitor	Inhouse_peptide	NA	peptide
+3963	NA	LKKISQRYQKFALPQYLKT	2352.3489	ACE inhibitor	Inhouse_peptide	NA	peptide
+5532	FALL39 (cathelicidin)	FALLGDFFRKSKEKIGKEFKRIVQRIKDFLRNLVPRTES	2354.3279	MH2+	Inhouse_peptide	NA	peptide
+2967	maculatin 1,2, from Litoria genimaculata	GLFGVLAKVASHVVPAIAEHFQA~	2359.2971	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11948	Ganglioside GQ1c (d18:1/14:0)	C103H175N5O55	2362.10498	NA	HMDB2010	NA	NA
+7777	Streptococcus mutans inhibitor	SGSLSTFFRLFNRSFTQALGK	2363.2219	antioxidative	Inhouse_peptide	NA	peptide
+5377	gaegurin 5	FLGALFKVASKVLPSVFCAITKKC	2363.415	binding	Inhouse_peptide	NA	peptide
+HMDB11933	Ganglioside GQ1c (d18:0/14:0)	C103H177N5O55	2364.120605	NA	HMDB2010	NA	NA
+7441	coeliac toxic peptide	QQXSQPQXPQQQQXPQQPQQ	2369.188	antioxidative	Inhouse_peptide	NA	peptide
+4008	NA	FLGYDCNLEKCNHHGVCNNKKNCH	2377.1484	antifungal	Inhouse_peptide	NA	peptide
+3245	bombinin like peptide BLP-3	GIGAAILSAGKSALKGLAKGLAEHF~	2378.3611	celiac toxic	Inhouse_peptide	NA	peptide
+5341	Bacteriocin carnobacteriocin B2	VNYGNGVSCSKTKCSVNWGQAFQERYTAGINSFVSGVASGAGSIGRRP	2380.17775	MH2+	Inhouse_peptide	NA	peptide
+3821	NA	GRFRRLGRKFKKLFKKYGP	2381.4238	ACE inhibitor	Inhouse_peptide	NA	peptide
+5519	PR-39	RRRPRPPYLPRPRPPPFFPPRLPPRIPPGFPPRFPPRFPG	2387.3474	MH2+	Inhouse_peptide	NA	peptide
+HMDB11949	Ganglioside GQ1c (d18:1/16:0)	C105H179N5O55	2390.136475	NA	HMDB2010	NA	NA
+HMDB11934	Ganglioside GQ1c (d18:0/16:0)	C105H181N5O55	2392.1521	NA	HMDB2010	NA	NA
+5539	Ct-AMP1	NLCERASLTWTGNCGNTGHCDTQCRNWESAKHGACHKRGNWKCFCYFNC	2392.62865	MH2+	Inhouse_peptide	NA	peptide
+7065	coeliac toxic peptide	QQQQPPFSQQQQSPFSQQQQ	2401.084	antioxidative	Inhouse_peptide	NA	peptide
+7438	coeliac toxic peptide	QQQQPFPSQQQQSPFSQQQQ	2401.084	antioxidative	Inhouse_peptide	NA	peptide
+5378	gaegurin 6	FLPLLAGLAANFLPTIICKISYKC	2402.417	antioxidative	Inhouse_peptide	NA	peptide
+2962	magainin 1 from skin of Xenopus laevis	GIGKFLHSAGKFGKAFVGEIMKS	2408.2834	celiac toxic	Inhouse_peptide	NA	peptide
+7789	de novo designed peptide	GLFEALLELLESLWELLLLEA	2413.324	antioxidative	Inhouse_peptide	NA	peptide
+5410	So-D4 (defensin)	MFFSSKKCKTVSKTFRGPCVRNA	2415.3013	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB11951	Ganglioside GQ1c (d18:1/18:1(11Z))	C107H181N5O55	2416.1521	NA	HMDB2010	NA	NA
+HMDB11952	Ganglioside GQ1c (d18:1/18:1(9Z))	C107H181N5O55	2416.1521	NA	HMDB2010	NA	NA
+2968	maculatin 1,2, from Litoria genimaculata	GLFGVLAKVASHVVPAIAEHFQAG	2417.302	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11936	Ganglioside GQ1c (d18:0/18:1(11Z))	C107H183N5O55	2418.167725	NA	HMDB2010	NA	NA
+HMDB11937	Ganglioside GQ1c (d18:0/18:1(9Z))	C107H183N5O55	2418.167725	NA	HMDB2010	NA	NA
+HMDB11950	Ganglioside GQ1c (d18:1/18:0)	C107H183N5O55	2418.167725	NA	HMDB2010	NA	NA
+HMDB11935	Ganglioside GQ1c (d18:0/18:0)	C107H185N5O55	2420.18335	NA	HMDB2010	NA	NA
+5339	Bacteriocin carnobacteriocin A	DQMSDGVNYGKGSSLSKGGAKCGLGIVGGLATIPSGPLGWLAGAAGVINSCMK	2421.73655	MH2+	Inhouse_peptide	NA	peptide
+5494	histatin 1	DSHEKRHHGYRRKFHEKHHSHREFPFYGDYGSNYLYDN	2422.5991	MH2+	Inhouse_peptide	NA	peptide
+3432	Casocidin-I f(150-188	KTKLTEEEKNRLNFLKKISQRYQKFALPQYLKTVYQHQK	2433.3364	MH2+	Inhouse_peptide	NA	peptide
+5524	buforin 2	TRSSRAGLQFPVGRVHRLLRK	2433.4131	antioxidative	Inhouse_peptide	NA	peptide
+5504	Penaeidin-1	YRGGYTGPIPRPPPIGRPPLRLVVCACYRLSVSDARNCCIKFGSCCHLVK	2434.8623	MH2+	Inhouse_peptide	NA	peptide
+3246	bombinin like peptide BLP-3	GIGAAILSAGKSALKGLAKGLAEHFG	2436.366	celiac toxic	Inhouse_peptide	NA	peptide
+5430	So-D5 (defensin)	MFFSSKKCKTVXKTFRGPCVRNAN	2442.3123	ACE inhibitor	Inhouse_peptide	NA	peptide
+5379	Brevinin-1EA	FLPAIFRMAAKVVPTIICSITKKC	2443.4563	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11953	Ganglioside GQ1c (d18:1/20:0)	C109H187N5O55	2446.198975	NA	HMDB2010	NA	NA
+3240	bombinin-like peptide BLP-4	GIGAAILSAGKSIIKGLANGLAEHEG	2446.3359	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11938	Ganglioside GQ1c (d18:0/20:0)	C109H189N5O55	2448.2146	NA	HMDB2010	NA	NA
+MetaCyc04460	oligosaccharide phosphate [(glucosyl)3-(mannosyl)9-(N-acetylglucosaminyl)2-phosphate;]	C88H149N2O74P1	2448.769521	NA	metacyc	NA	NA
+3941	aurein 5,2	GLMSSIGKALGGLIVDLVKPKTPAS	2451.3943	neuropeptide	Inhouse_peptide	NA	peptide
+5475	aurein 5,2	GLMSSIGKALGGLIVDVLKPKTPAS	2451.3943	ACE inhibitor	Inhouse_peptide	NA	peptide
+2956	maiganin related peptide PGQ	GVLSNVIGYLKKLGTGALNAVLKQ	2455.4338	celiac toxic	Inhouse_peptide	NA	peptide
+2961	maiganin 2 from Xenopus laevis	GIGKFLHSAKKFGKAFVGEIMNS	2465.3052	celiac toxic	Inhouse_peptide	NA	peptide
+7054	Magainin 2, African clawed frog	GIGKFLHSAKKFGKAFVGEIMNS	2465.3053	antioxidative	Inhouse_peptide	NA	peptide
+5409	So-D3 (defensin)	GIFSSRKCKTVSKTFRGICTRNANC	2467.3586	ACE inhibitor	Inhouse_peptide	NA	peptide
+7770	Thanatin	GSKKPVPIIYCNRRTGKCQRM	2468.2503	antioxidative	Inhouse_peptide	NA	peptide
+3225	brevinin-1E from skin of European frog rana escule	FLPLLAGLAANFLPKIFCKITRKC	2470.501	celiac toxic	Inhouse_peptide	NA	peptide
+HMDB11955	Ganglioside GQ1c (d18:1/22:1(13Z))	C111H189N5O55	2472.2146	NA	HMDB2010	NA	NA
+HMDB11940	Ganglioside GQ1c (d18:0/22:1(13Z))	C111H191N5O55	2474.230225	NA	HMDB2010	NA	NA
+HMDB11954	Ganglioside GQ1c (d18:1/22:0)	C111H191N5O55	2474.230225	NA	HMDB2010	NA	NA
+7782	peptide from: influenza virus*	GLFEAEGFIENGWEGMIDGWYG	2476.0502	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11939	Ganglioside GQ1c (d18:0/22:0)	C111H193N5O55	2476.24585	NA	HMDB2010	NA	NA
+5505	Penaeidin-2	YRGGYTGPIPRPPPIGRPPFRPVCNACYRLSVSDARNCCIKFGSCCHLVKG	2479.83645	MH2+	Inhouse_peptide	NA	peptide
+5351	Royalisin	VTCDLLSFKGQVNDSACAANCLSLGKAGGHCEKVGCICRKTSFKDLWDKRFG	2480.30225	MH2+	Inhouse_peptide	NA	peptide
+HMDB12121	(Mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol	C126H210N2O42P2	2485.383301	NA	HMDB2010	NA	NA
+MetaCyc04461	(mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C126H210N2O42P2	2485.383342	NA	metacyc	NA	NA
+5408	So-D2 (defensin)	GIFSSRKCKTPSKTFKGICTRDSNCDTSCRYEGYPAGDCKGIRRRCMCSKPC	2487.78395	MH2+	Inhouse_peptide	NA	peptide
+HMDB11956	Ganglioside GQ1c (d18:1/23:0)	C112H193N5O55	2488.24585	NA	HMDB2010	NA	NA
+HMDB11941	Ganglioside GQ1c (d18:0/23:0)	C112H195N5O55	2490.261475	NA	HMDB2010	NA	NA
+7064	coeliac toxic peptide	QPQPFPQQSEQSQQPFQPQPF	2497.144	antioxidative	Inhouse_peptide	NA	peptide
+7440	coeliac toxic peptide	QPQPFPQQSEQSQQPFQPQPF	2497.144	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04462	L-Ara4N-modified KDO2-Lipid A []	C120H220N4O45P2	2499.452484	NA	metacyc	NA	NA
+HMDB11958	Ganglioside GQ1c (d18:1/24:1(15Z))	C113H193N5O55	2500.24585	NA	HMDB2010	NA	NA
+5514	Misgurin	RQRVEELSKFSKKGAAARRRK	2500.439	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11943	Ganglioside GQ1c (d18:0/24:1(15Z))	C113H195N5O55	2502.261475	NA	HMDB2010	NA	NA
+HMDB11957	Ganglioside GQ1c (d18:1/24:0)	C113H195N5O55	2502.261475	NA	HMDB2010	NA	NA
+HMDB11942	Ganglioside GQ1c (d18:0/24:0)	C113H197N5O55	2504.2771	NA	HMDB2010	NA	NA
+5405	brevinin-1EC	FLPLLAGLAANFFPKIFCKITRKC	2504.4849	ACE inhibitor	Inhouse_peptide	NA	peptide
+3243	bombinin-like peptide BLP-1	GIGASILSAGKSALKGLAKGLAGHFAN~	2507.4148	celiac toxic	Inhouse_peptide	NA	peptide
+7740	NA	AGALGESGASLSIVNSLDVLRNRLLLEIARKKAKEGANRNRQILLSL	2513.43175	MH2+	Inhouse_peptide	NA	peptide
+HMDB11959	Ganglioside GQ1c (d18:1/25:0)	C114H197N5O55	2516.2771	NA	HMDB2010	NA	NA
+5292	Ah-AMP1	LCNERPSQTWSGNCGNTAHCDKQCQDWEKASHGACHKRENHWKCFCYFNC	2517.65725	MH2+	Inhouse_peptide	NA	peptide
+HMDB11944	Ganglioside GQ1c (d18:0/25:0)	C114H199N5O55	2518.292969	NA	HMDB2010	NA	NA
+HMDB11961	Ganglioside GQ1c (d18:1/26:1(17Z))	C115H197N5O55	2528.2771	NA	HMDB2010	NA	NA
+HMDB11946	Ganglioside GQ1c (d18:0/26:1(17Z))	C115H199N5O55	2530.292969	NA	HMDB2010	NA	NA
+HMDB11960	Ganglioside GQ1c (d18:1/26:0)	C115H199N5O55	2530.292969	NA	HMDB2010	NA	NA
+7783	N-terminal peptide (INF7)	GLFEAIEGFIENGWEGMIWDYG	2532.1132	antioxidative	Inhouse_peptide	NA	peptide
+HMDB11945	Ganglioside GQ1c (d18:0/26:0)	C115H201N5O55	2532.308594	NA	HMDB2010	NA	NA
+C12008	Ramoplanin A2	C119H154ClN21O40	2552.035	NA	KEGG	NA	NA
+5534	Ah-AMP1	LCNERPSQTWSGNCGNTAAHCDKQCQDWEKASHGACCHKRENHWKCFCYFNC	2553.17555	MH2+	Inhouse_peptide	NA	peptide
+3905	NA	DGVKLCDVPSGTWSGHCGSSSKCSQQCKDREHFAYGGACHYQFPSVKCFCKRQC	2560.23635	MH2+	Inhouse_peptide	NA	peptide
+5542	Hs-AFP1	DGVKLCDVPSGTWSGHCGSSSKCSQQCCKDREHFAYGGACHYQFPSVKCFCKRQC	2560.23635	MH2+	Inhouse_peptide	NA	peptide
+3069	human endothelin I	CSCSSLMDKECVYFCHLDIIW	2561.9982	celiac toxic	Inhouse_peptide	NA	peptide
+3244	bombinin-like peptide BLP-1	GIGASILSAGKSALKGLAKGLAGHFANG	2565.4199	celiac toxic	Inhouse_peptide	NA	peptide
+5550	Bactenecin 5 (from bovine neutrophils)	RFRPPIRRPPIRPPFYPPFRPPIRPPIFPPIRPPFRPPLGPFP	2572.4724	MH2+	Inhouse_peptide	NA	peptide
+5551	Bactenecin 5 (from goat neutrophils)	RFRPPIRRPPIRPPFNPPFRPPVRPPFRPPFRPPFRPPIGPFP	2579.45485	MH2+	Inhouse_peptide	NA	peptide
+3966	NA	VYQHQKAMKPWIQPKTKVIPY	2582.3975	ACE inhibitor	Inhouse_peptide	NA	peptide
+3222	caerin 1,1, from Litoria genimaculata	GLLSVLGSVAKHVLPHVVPVIAEHL~	2582.522	celiac toxic	Inhouse_peptide	NA	peptide
+8343	fragment 1-42 of bovine lactoferrin	APRKNVRWCTISQPEWFKCRRWQWRMKKLGAPSITCVRRAFA	2598.82365	MH2+	Inhouse_peptide	NA	peptide
+2567	regulating cell-permeability peptide	NYKKPKLAAAPALLALLVAPLLAVAA	2599.6009	antibacterial	Inhouse_peptide	NA	peptide
+2568	regulating cell-permeability peptide	AAVALLPAVLLALLAPAAANYKKPKL	2599.6009	antibacterial	Inhouse_peptide	NA	peptide
+2569	regulating cell-permeability peptide	NYKKPKLAAAAAVALLPAVLLALLAP	2599.6009	antibacterial	Inhouse_peptide	NA	peptide
+2960	maiganin related peptide CPG	GFGSFLGKALKAALKIGANALGGSPQQ	2600.4238	celiac toxic	Inhouse_peptide	NA	peptide
+2959	maiganin related peptide LPF	GWASKIGQTLGKIAKVGLQGLMQPK	2608.4673	celiac toxic	Inhouse_peptide	NA	peptide
+3995	NA	TKCFQWQRNMRKVRGPPVSCIKR	2611.4563	antifungal	Inhouse_peptide	NA	peptide
+3068	human endothelin II	CSCSSWLDKECVYFCHLDIIW	2617.0368	celiac toxic	Inhouse_peptide	NA	peptide
+3221	caerin 1,1, from Litoria genimaculata	GLLSVLGSVAKHVLPHVVPVIAEHLG	2640.5271	celiac toxic	Inhouse_peptide	NA	peptide
+MetaCyc04463	(mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1->3)-&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C132H220N2O47P2	2647.436165	NA	metacyc	NA	NA
+HMDB12122	(Mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol	C132H220N2O47P2	2647.436279	NA	HMDB2010	NA	NA
+2758	rat NP-3 defensin	CSCRTSSCRFGERLSGACRLNGRIYRLCC	2651.4329	NA	Inhouse_peptide	NA	peptide
+2955	maiganin related peptide XPF	GWASKIGQTLGKIAKVGLKELIQPK	2662.5679	celiac toxic	Inhouse_peptide	NA	peptide
+5488	clavanin A	VFQFLGKIIHHVGNFVHGFSHVF	2665.3857	opioid	Inhouse_peptide	NA	peptide
+5510	clavanin C	VFHLLGKIIHHVGNFVYGFSHVF	2666.407	ACE inhibitor	Inhouse_peptide	NA	peptide
+5521	Androctonin	RSVCRQIKICRRRGGCYYKCTNRPY	2666.4929	antioxidative	Inhouse_peptide	NA	peptide
+3609	NA	GLLRRLRDFLKKIGEKFKKIGY~	2676.6238	ACE inhibitor	Inhouse_peptide	NA	peptide
+5489	clavanin B	VFQFLGRIIHHVGNFVHGFSHVF	2693.3928	opioid	Inhouse_peptide	NA	peptide
+7758	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYL~	2708.459	antioxidative	Inhouse_peptide	NA	peptide
+7761	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYL~	2708.459	antioxidative	Inhouse_peptide	NA	peptide
+3067	human endothelin III	CTCFTYKDKECVYYCHLDIIW	2713.0918	celiac toxic	Inhouse_peptide	NA	peptide
+5511	clavanin D	AFKLLGRIIHHVGNFVYGFSHVFG	2714.4399	antioxidative	Inhouse_peptide	NA	peptide
+2757	rat NP-4 defensin	ACYCRIGACVSGERLTGACGLNGRIYRLCCR	2718.499	NA	Inhouse_peptide	NA	peptide
+5390	dermaseptin B6	ALWKDILKNAGKAALNEINQLVNQG	2720.4795	ACE inhibitor	Inhouse_peptide	NA	peptide
+2963	maculatin 3,1, from Litoria genimaculata	GLLQTIKEKLESLESLAKGIVSGIQA~	2723.5601	celiac toxic	Inhouse_peptide	NA	peptide
+8259	f(164-207) of bovine alpha s2-casein	LKKISQRYQKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL 	2724.0312	MH2+	Inhouse_peptide	NA	peptide
+8339	Cr5/Cr6	LKKISQRYQKFALPQYLKTVYQHQKAMKPWIQPKTKVIPYVRYL	2724.0312	MH2+	Inhouse_peptide	NA	peptide
+5297	NA	RVCMGKSAGFKGLCMRDQNCAQVCLQEGWGGGNCDGVMRQCKCIRQCW	2724.1174	MH2+	Inhouse_peptide	NA	peptide
+3759	NA	GLLRRLRDFLKKIGEKFKKIGYG	2734.6289	ACE inhibitor	Inhouse_peptide	NA	peptide
+3249	bombinin	GIFFALLSAAKVGLKGLAKGLAEHFAN	2742.5388	celiac toxic	Inhouse_peptide	NA	peptide
+7766	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYL~	2746.388	anticancer	Inhouse_peptide	NA	peptide
+7769	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYL~	2746.388	antioxidative	Inhouse_peptide	NA	peptide
+2702	seminal-plasmin from bovine seminal fluid	SDEKASPDKHHRFSLSRYAKLANRLANPKLLETFLSSKWIGDRGNRSV	2747.44165	MH2+	Inhouse_peptide	NA	peptide
+3072	human defensin HNP-2	CYCRIPACIAGERRYGTCIYQGRLWAFCC	2756.449	celiac toxic	Inhouse_peptide	NA	peptide
+5374	dermaseptin B5	GLWNKIKEAASKAAGKAALGFVNEMVG	2759.4592	membrane -active peptide	Inhouse_peptide	NA	peptide
+3035	isracidin	RPKHPIKHQGLPQEVLNENLLRF	2762.5248	ACE inhibitor	Inhouse_peptide	NA	peptide
+8171	isracidin - peptide derived from aS1-casein (1-23)	RPKHPIKHQGLPQEVLNENLLRF	2762.5248	antibacterial	Inhouse_peptide	NA	peptide
+7759	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYLG	2766.464	antioxidative	Inhouse_peptide	NA	peptide
+7760	Pleurocidin from Pleuronectes americanus	GWGSFFKKAAHVGKHVGKAALTHYLG	2766.464	antioxidative	Inhouse_peptide	NA	peptide
+5414	dermaseptin 4	ALWMTLLKKVLKAAAKALNAVLVGANA	2777.6531	ACE inhibitor	Inhouse_peptide	NA	peptide
+2964	maculatin 3,1, from Litoria genimaculata	GLLQTIKEKLESLESLAKGIVSGIQAG	2781.5649	celiac toxic	Inhouse_peptide	NA	peptide
+5384	Brevinin-2ED	GILDSLKNLAKNAGQILLNKASCKLSGQC	2793.5896	antioxidative	Inhouse_peptide	NA	peptide
+3439	NA	KWKLFKKIGIGAVLKVLTTGLPALIS	2793.74	ACE inhibitor	Inhouse_peptide	NA	peptide
+3055	phosphopeptide b-casein fragment 1-25	RELEELNVPGEIVESLSSSEESITR	2801.375	celiac toxic	Inhouse_peptide	NA	peptide
+7780	peptide from Rhinovirus-2, VP-protein	NPVENYIDEVLNEVLVVPNINSSNC	2803.3173	antioxidative	Inhouse_peptide	NA	peptide
+7767	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYLG	2804.393	antioxidative	Inhouse_peptide	NA	peptide
+7768	Pleurocidin analogue from Pleuronectes americanus	SWSSFFKKAAHSGKHVGKSASTHYLG	2804.393	antioxidative	Inhouse_peptide	NA	peptide
+7788	de novo designed peptide	GALFLGFLGAAGSTMGAWSQPKKKRKV	2805.5264	antioxidative	Inhouse_peptide	NA	peptide
+MetaCyc04464	(mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C138H230N2O52P2	2809.488989	NA	metacyc	NA	NA
+HMDB12123	(Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol	C138H230N2O52P2	2809.489014	NA	HMDB2010	NA	NA
+3945	mytilin A from Mytilum edulis	GCASRCKAKCAGRRCJGWASASFRGRCYCKCFRC	2826.531	neuropeptide	Inhouse_peptide	NA	peptide
+3073	human defensin HNP-1	ACYCRIPACIAGERRYGTCIYQGRLWAFCC	2827.4861	celiac toxic	Inhouse_peptide	NA	peptide
+5415	dermaseptin 5	GLWSKIKTAGKSVAKAAAKAAVKAVTNAV	2838.6589	ACE inhibitor	Inhouse_peptide	NA	peptide
+7790	de novo designed peptide from transportan	GWTLNSAGYLLGKINLKALAALAKKIL	2839.6868	antioxidative	Inhouse_peptide	NA	peptide
+5437	lycotoxin 1	IWLTALKFLGKHAAKHLAKQQLSKL	2842.6851	ACE inhibitor	Inhouse_peptide	NA	peptide
+2948	mellitin from venom of honey bee(Apis mellifera)	GIGAVLKVLTTGLPALISWIKRKRQQ~	2844.7339	celiac toxic	Inhouse_peptide	NA	peptide
+2949	mellitin from venom of honey bee(Apis mellifera)	GIGAVLKVLTTGLPALISWIKRKRQQ~	2844.7339	celiac toxic	Inhouse_peptide	NA	peptide
+C11198	Melitten	C131H229N39O31	2844.7542	NA	KEGG	NA	NA
+7785	peptide from honey bee venom	GIGAVLKVLTTGLPALISWIKRKRQQ	2845.718	antioxidative	Inhouse_peptide	NA	peptide
+5485	ceratotoxin B	SIGSAFKKALPVAKKIGKAALPIAKAALP	2858.762	opioid	Inhouse_peptide	NA	peptide
+5400	brevinin-2EE	GIFDKLKNFAKGVAQSLLNKASCKLSGQC	2861.5928	ACE inhibitor	Inhouse_peptide	NA	peptide
+5509	ceratotoxin A	SIGSALKKALPVAKKIGKIALPIAKAALP	2866.825	ACE inhibitor	Inhouse_peptide	NA	peptide
+3071	human defensin HNP-3	DCYCRIPACIAGERRYGTCIYQGRLWAFCC	2871.4758	celiac toxic	Inhouse_peptide	NA	peptide
+2950	mellitin from venom of honey bee(Apis mellifera)	GIGAVLKVLTTGLPALISWIKRKRQQG	2902.739	celiac toxic	Inhouse_peptide	NA	peptide
+8162	antimicrobial peptide derived from b-casein (184-210)	QELLLNPTHQYPVTQPLAPVHNPISV	2904.5278	antibacterial	Inhouse_peptide	NA	peptide
+3441	NA	KWKKFIKELQKVLAPGGLLSNIVTSL	2909.7258	ACE inhibitor	Inhouse_peptide	NA	peptide
+3438	NA	KWKSFIKNLEKVLKPGGLLSNIVTSL	2911.7058	ACE inhibitor	Inhouse_peptide	NA	peptide
+3442	NA	KWKEFIKKLTTAVKKVLTTGLPALIS	2912.76	ACE inhibitor	Inhouse_peptide	NA	peptide
+3229	bovine lactoferricin B (LF-B)	FKCRRWQWRMKKLGAPSITCVRRAF	2917.6414	celiac toxic	Inhouse_peptide	NA	peptide
+7051	Lactoferricin B, bovine (Bos taurus)	FKCRRWQWRMKKLGAPSITCVRRAF	2917.6414	antioxidative	Inhouse_peptide	NA	peptide
+3640	NA	LGQQQPFPPQQPYPQPQPFPSQQPY	2921.3889	ACE inhibitor	Inhouse_peptide	NA	peptide
+7468	coeliac toxic peptide	LGQQQPFPPQQPYPQPQPFPSQQPY	2921.389	antioxidative	Inhouse_peptide	NA	peptide
+2762	rabbit NP-5 defesin	VFCTCRGFLCGSGERASGSCTINGVRHTLCCRR	2930.5508	NA	Inhouse_peptide	NA	peptide
+3112	adrenocorticotropin hormone fr,: 1-24	SYSMEHFRWGKPVGKKRRPVKVYP	2931.5583	celiac toxic	Inhouse_peptide	NA	peptide
+C06926	Cosyntropin	C136H210N40O31S	2931.5806	NA	KEGG	NA	NA
+C06927	Transferred to D00285	C136H210N40O31S	2931.5806	NA	KEGG	NA	NA
+3900	mellitin-like peptide	FIGASALKVLAGVLPSVISWVKLGRILQ~	2933.7759	neuropeptide	Inhouse_peptide	NA	peptide
+5291	mellitin-like peptide	FIGASALKVLAGVLPSVISWVKLGRILQG	2933.7759	antibacterial	Inhouse_peptide	NA	peptide
+2701	somatostatin 28	SANSNPAMAPRERKAGCKNFFWKTFTSC	2942.4412	antibacterial	Inhouse_peptide	NA	peptide
+5352	Cysteine-rich antifungal protein 2 [Fragment]	QKLCERPSGTXSGVCGNNNACKNQCIR	2960.3026	membrane -active peptide	Inhouse_peptide	NA	peptide
+5372	dermaseptin B3	ALWKNMLKGIGKLAGQAALGAVKTLVGAEG	2964.6733	membrane -active peptide	Inhouse_peptide	NA	peptide
+3440	NA	KWKSFIKNLEKVLKKGPILANLVSIV	2964.8047	ACE inhibitor	Inhouse_peptide	NA	peptide
+HMDB12124	(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol	C144H240N2O57P2	2971.541748	NA	HMDB2010	NA	NA
+MetaCyc04465	(mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol [{&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1->2)-&alpha;-D-mannosyl-(1->3)-[&alpha;-D-mannosyl-(1,6)]-&alpha;-D-mannosyl-(1,6)]-&beta;-D-mannosyl-(1->4)-N-acetyl-&beta;-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}diphosphodolichol;]	C144H240N2O57P2	2971.541812	NA	metacyc	NA	NA
+5529	Penaeidin-3C	QVYKGGYTRPIPRPPFVRPVPGGPIGPYNGCPVSCRGISFSQARSCCSRLGRCCHVGKGYSG	2981.57545	MH2+	Inhouse_peptide	NA	peptide
+2763	rabbit NP-4 defensin	VSCTCRRFSCGFGERASGSCTVNGVRHTLCCRR	2989.563	NA	Inhouse_peptide	NA	peptide
+3947	mytilin C from Mytilum edulis	SCASRCKSRCRARRCRYYVSVRYGGFCYCRC	2996.6021	neuropeptide	Inhouse_peptide	NA	peptide
diff -r 000000000000 -r be582bcd6585 lib/bih.pm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/bih.pm	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,1052 @@
+package lib::bih ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+use Math::BigFloat;
+
+use LWP::Simple;
+use LWP::UserAgent;
+use URI::URL;
+use SOAP::Lite;
+use Encode;
+use HTML::Template ;
+#use Net::SSL ;
+use Data::Dumper ;
+#use REST::Client;	
+use JSON;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( db_pforest_get_clean_range map_pfjson_bankobject prepare_multi_masses_query );
+our %EXPORT_TAGS = ( ALL => [qw( db_pforest_get_clean_range map_pfjson_bankobject prepare_multi_masses_query  )] );
+
+=head1 NAME
+
+My::Module - An example module
+
+=head1 SYNOPSIS
+
+    use My::Module;
+    my $object = My::Module->new();
+    print $object->as_string;
+
+=head1 DESCRIPTION
+
+This module does not really exist, it
+was made for the sole purpose of
+demonstrating how POD works.
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+     
+=head2 METHOD check_interval
+
+	## Description : checks that the value is in the interval
+	## Input : $value, $min, $max
+	## Output : $message
+	## Usage : $message= check_interval($value, $min, $max) ;
+	
+=cut
+## START of SUB
+sub check_interval {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $value, $min, $max ) = @_ ;
+    
+    my ( $message ) = undef ;
+    if ( $min !~ m/^-?\d+\.?\d*$/ ) {
+    	$message="the minimum '".$min."' isn't a valid number!";
+    }
+    elsif ( $max !~ m/^-?\d+\.?\d*$/ ) {
+    	$message="the maximum '".$max."' isn't a valid number!";
+    }
+    elsif ( $value !~ m/^-?\d+\.?\d*$/ ) {
+    	$message="'".$value."' isn't a valid number!";
+    }
+    elsif ( $value < $min ) {
+    	$message="'".$value."' is below the minimum!";
+    }
+    elsif ( $value > $max ) {
+    	$message="'".$value."' is greater than the maximum!";
+    }
+    else {
+    	$message="OK" ;
+    }
+    return($message) ;
+}
+## END of SUB
+
+=head2 METHOD format_manual_list_values
+
+	## Description : extract a list of values and built identifiers
+	## Input : $value, $sep
+	## Output : \@values, \@ids
+	## Usage : ($masses, $ids)= format_manual_list_values($mass, $sep) ;
+	
+=cut
+## START of SUB
+sub format_manual_list_values {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $value, $sep ) = @_ ;
+    
+    my ( @values, @ids ) = ( (), () ) ;
+    
+    if ( ( defined $value ) and ( $value ne "" ) and ( defined $sep ) ) {
+    	@values = split($sep, $value);
+		my $nb = 1+int(log($#values+1)/log(10));
+		my $sf = '%0'.$nb.'s';
+		for (my $i=1 ; $i<=$#values+1 ; $i++){
+			my $id = sprintf($sf, $i) ;
+			push (@ids,"value_".$id );
+		}
+    }
+    else {
+    	croak "No value list found \n" ;
+    }
+    return(\@values, \@ids) ;
+}
+## END of SUB
+
+=head2 METHOD parse_bank_interest
+
+	## Description : parse csv object and return a two-dimensional array in a hash by grouping information according to the interest value as key.
+	## Input : $csv, \$file, $col_interest
+	## Output : \%bank_interest, \$head
+	## Usage : my ( $bank_interest, $head ) = parse_bank_interest ( $csv, $file, $col_interest ) ;
+	
+=cut
+## START of SUB
+sub parse_bank_interest {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file, $col_interest ) = @_ ;
+    
+    my $bank_interest = () ;
+    my $oBih = new() ;
+
+	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
+	
+	my $head = $csv->getline( $fh );
+	my $nb_line = 1 ;	## for error messages
+	
+	while ( my $row = $csv->getline( $fh ) ) {
+	    $nb_line++ ;
+		if ($#$head != $#$row) {	croak "Not the same number of columns over the file of the interest bank! See the line: $nb_line in your input bank file!\n" ;	}
+		## it would be more general to do the following masse check out this function
+		my ($MZmessage) = $oBih->check_interval($$row[$col_interest], 0, 10000) ; 
+		if ($MZmessage ne 'OK') {	$col_interest++;	croak "There is at least one row (See the line : $nb_line) where in the column $col_interest : $MZmessage\n" ;	} #/!\ col_interest++ to print to user a not-table (@) value.
+		
+	    push (@{$bank_interest->{$$row[$col_interest]}}, $row ) ;
+	}
+#	print Dumper $bank_interest; exit;
+	$csv->eof or $csv->error_diag();
+	close $fh;
+    return($bank_interest, $head) ;
+}
+## END of SUB
+
+=head2 METHOD mz_delta_conversion
+
+	## Description : returns the minimum and maximum mass according to the delta
+	## Input : \$mass, \$delta_type, \$mz_delta
+	## Output : \$min, \$max
+	## Usage : ($min, $max)= mz_delta_conversion($mass, $delta_type, $mz_delta) ;
+	
+=cut
+## START of SUB
+sub mz_delta_conversion {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $mass, $delta_type, $mz_delta ) = @_ ;
+    my ( $min, $max ) = ( undef, undef ) ;
+    
+	if ($$delta_type eq 'ppm'){
+		$min = $$mass - ($$mz_delta * 10**-6 * $$mass);
+		$max = $$mass + ($$mz_delta * 10**-6 * $$mass) + 0.0000000001; ## it's to included the maximum value in the search
+	}
+	elsif ($$delta_type eq 'Da'){
+		$min = $$mass - $$mz_delta;
+		$max = $$mass + $$mz_delta + 0.0000000001; ## it's to included the maximum value in the search
+	}
+	else {	croak "The masses delta type '$$delta_type' isn't a valid type !\n" ;	}
+	
+    return(\$min, \$max) ;
+}
+## END of SUB
+
+=head2 METHOD dichotomi_search
+
+	## Description : returns the index of the position or the interval value
+	##               does not work if there are duplicates in the table
+	## Input : \@tab, \$search
+	## Output : \$index
+	## Usage : ($index)= dichotomi_search($mass, $sep) ;
+	
+=cut
+## START of SUB
+sub dichotomi_search {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $tab, $search ) = @_ ;
+    my ($sup, $inf, $demi) = (scalar(@{$tab})-1, 0, 0);
+    
+    while(1) {
+		$demi = int(($sup + $inf)/2);
+		if($sup < $inf)  { 
+			if($inf==0){	$demi=-1;	}	elsif($sup==scalar(@{$tab})-1){	$demi=scalar(@{$tab});	} ## to distinguish items off limits
+			last;
+		}
+		elsif ( ($$search == $$tab[$demi]) ) { last; }
+		elsif ( ($$search > $$tab[$demi-1]) && ($$search < @$tab[$demi]) ) { last; }
+		elsif($$search < $$tab[$demi]) { $sup = $demi - 1; next; }
+		else { $inf = $demi + 1; next; }
+	}
+	
+    return(\$demi) ;
+}
+## END of SUB
+
+=head2 METHOD extract_sub_mz_lists
+
+	## Description : extract a couples of sublist from a long mz list (more than $HMDB_LIMITS)
+	## Input : $HMDB_LIMITS, $masses
+	## Output : $sublists
+	## Usage : my ( $sublists ) = extract_sub_mz_lists( $HMDB_LIMITS, $masses ) ;
+	
+=cut
+## START of SUB
+sub extract_sub_mz_lists {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses, $HMDB_LIMITS ) = @_ ;
+    
+    my ( @sublists, @sublist ) = ( (), () ) ;
+    my $nb_mz = 0 ;
+    my $nb_total_mzs = scalar(@{$masses}) ;
+    
+    for ( my $current_pos = 0 ; $current_pos < $nb_total_mzs ; $current_pos++ ) {
+    	
+    	if ( $nb_mz < $HMDB_LIMITS ) {
+    		if ( $masses->[$current_pos] ) { 	push (@sublist, $masses->[$current_pos]) ; $nb_mz++ ;	} # build sub list
+    	} 
+    	elsif ( $nb_mz == $HMDB_LIMITS ) {
+    		my @tmp = @sublist ; push (@sublists, \@tmp) ; @sublist = () ;	$nb_mz = 0 ;
+    		$current_pos-- ;
+    	}
+    	if ($current_pos == $nb_total_mzs-1) { 	my @tmp = @sublist ; push (@sublists, \@tmp) ; }
+	}
+    return(\@sublists) ;
+}
+## END of SUB
+
+=head2 METHOD prepare_multi_masses_query
+
+	## Description : permet de generer une liste de masses au format d'interrogation de hmdb
+	## Input : $masses
+	## Output : $hmdb_masses
+	## Usage : my ( $hmdb_masses ) = prepare_multi_masses_query( $masses ) ;
+	
+=cut
+## START of SUB
+sub prepare_multi_masses_query {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses ) = @_ ;
+    
+    my $hmdb_masses = undef ;
+    my $sep = '%0D%0A' ; ## retour chariot encode
+    my ($nb_masses, $i) = (0, 0) ;
+    
+    if ( defined $masses ) {
+    	my @masses = @{$masses} ;
+    	my $nb_masses = scalar ( @masses ) ;
+    	if ( $nb_masses == 0 ) { croak "Your mass list is empty \n" ; }
+    	elsif ( $nb_masses >= 150 ) { croak "Your mass list is too long : HMDB allows maximum 150 query masses per request \n" ; } ## Del it --- temporary patch
+	    
+	    foreach my $mass (@masses) {
+	    	
+	    	if ($i < $nb_masses) {
+	    		$hmdb_masses .= $mass.$sep ;
+	    	}
+	    	elsif ( $i == $nb_masses ) {
+	    		$hmdb_masses .= $mass ;
+	    	}
+	    	else {
+	    		last ;
+	    	}
+	    	$i ++ ;
+	    }
+    }
+    else {
+    	croak "No mass list found \n" ;
+    }
+    return($hmdb_masses, $nb_masses) ;
+}
+## END of SUB
+
+=head2 METHOD get_matches_from_hmdb
+
+	## Description : permet de requeter sur hmdb avec une masse, un delta de masse sur la banque de metabolites hmdb
+	## Input : $mass, $delta, $mode
+	## Output : $results
+	## Usage : my ( $results ) = get_matches_from_hmdb( $mass, $delta, $mode ) ;
+	
+=cut
+## START of SUB
+sub get_matches_from_hmdb {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $mass, $delta, $mode ) = @_ ;
+    
+    my @pages = () ;
+    my $page = undef ;
+    
+    if ( (defined $mass) and (defined $delta) and (defined $mode) ) {
+    	my $url = 'http://www.hmdb.ca/spectra/spectra/ms/search?utf8=TRUE&query_masses='.$mass.'&tolerance='.$delta.'&mode='.$mode.'&commit=Search' ;
+    	
+#    	print $url."\n" ;
+	    
+	    my $oUrl = url($url);
+	    $page = get($oUrl);
+#	    print $page."\n" ;
+	    
+	    ## manage output
+	    if ( ( !defined $page ) or ( $page eq "" ) ) {	die "Problem to connect to HMDB, page empty or undefined.\n" ; }
+	    else { 					@pages = split(/\n/, $page); 	    }
+    }
+    return(\@pages) ;
+}
+## END of SUB
+
+=head2 METHOD get_matches_from_hmdb_ua
+
+	## Description : permet de requeter via un user agent sur hmdb avec une masse, un delta de masse sur la banque de metabolites hmdb
+	## Input : $mass, $delta, $mode
+	## Output : $results
+	## Usage : my ( $results ) = get_matches_from_hmdb( $mass, $delta, $mode ) ;
+	
+=cut
+## START of SUB
+sub get_matches_from_hmdb_ua {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses, $delta, $mode ) = @_ ;
+    
+    my @page = () ;
+
+	my $ua = new LWP::UserAgent;
+	$ua->agent("Mozilla/5.0 (Windows NT 6.1) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/34.0.1847.131 Safari/537.36");
+	 
+	my $req = HTTP::Request->new(
+	    POST => 'http://specdb.wishartlab.com/ms/search.csv');
+	
+	$req->content_type('application/x-www-form-urlencoded');
+	$req->content('utf8=TRUE&mode='.$mode.'&query_masses='.$masses.'&tolerance='.$delta.'&database=HMDB&commit=Download Results As CSV');
+	 
+	my $res = $ua->request($req);
+#	print $res->as_string;
+	@page = split ( /\n/, $res->decoded_content ) ;
+	
+	return (\@page) ;
+}
+## END of SUB
+
+
+
+=head2 METHOD parse_hmdb_csv_results
+
+	## Description : parse the csv results and get data
+	## Input : $csv
+	## Output : $results
+	## Usage : my ( $results ) = parse_hmdb_csv_results( $csv ) ;
+	
+=cut
+## START of SUB
+sub parse_hmdb_csv_results {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $masses ) = @_ ;
+    
+    my $test = 0 ;
+    my ($query_mass,$compound_id,$formula,$compound_mass,$adduct,$adduct_type,$adduct_mass,$delta) = (0, undef, undef, undef, undef, undef, undef, undef) ;
+    
+    my %result_by_entry = () ;
+    my %features = () ;
+    
+    foreach my $line (@{$csv}) {
+    	
+    	if ($line !~ /query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta/) {
+    		my @entry = split(/,/, $line) ;
+    		
+    		if ( !exists $result_by_entry{$entry[0]} ) { $result_by_entry{$entry[0]} = [] ; }
+    		
+    		$features{ENTRY_ENTRY_ID} = $entry[1] ;
+    		$features{ENTRY_FORMULA} = $entry[2] ;
+    		$features{ENTRY_CPD_MZ} = $entry[3] ;
+    		$features{ENTRY_ADDUCT} = $entry[4] ;
+    		$features{ENTRY_ADDUCT_TYPE} = $entry[5] ;
+    		$features{ENTRY_ADDUCT_MZ} = $entry[6] ;
+    		$features{ENTRY_DELTA} = $entry[7] ;
+    		
+    		my %temp = %features ;
+    		
+    		push (@{$result_by_entry{$entry[0]} }, \%temp) ;
+    	}
+    	else {
+    		next ;
+    	}
+    } ## end foreach
+    
+    ## manage per query_mzs (keep query masses order by array)
+    my @results = () ;
+    foreach (@{$masses}) {
+    	if ($result_by_entry{$_}) { push (@results, $result_by_entry{$_}) ; }
+    	else {push (@results, [] ) ;} ;
+    }
+    return(\@results) ;
+}
+## END of SUB
+
+=head2 METHOD parse_hmdb_page_results
+
+	## Description : permet de parser le contenu des resultats hmdb
+	## Input : $page
+	## Output : $results
+	## Usage : my ( $results ) = parse_hmdb_page_result( $pages ) ;
+	
+=cut
+## START of SUB
+sub parse_hmdb_page_results {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $page ) = @_ ;
+    
+    my @results = () ;
+    my ($catch_table, $catch_name) = (0, 0) ;
+    my ($name, $adduct, $adduct_mw, $cpd_mw, $delta) = (undef, undef, undef, undef, undef) ;
+    
+    if ( defined $page ) {
+    	
+    	my @page = @{$page} ;
+    	my $ID = undef ;
+    	my @result_by_mz = () ;
+    	my %result_by_entry = () ;
+    	
+		foreach my $line (@page)   {
+			
+			#Section de la page contenant les resultat
+			if( $line =~/<table>/ ) { $catch_table = 1 ; }
+			
+			## Si il existe un resultat :
+			if($catch_table == 1) {
+		    	
+			    #Id de la molecule, et creation du lien
+			    if( $line =~ /<a href=\"\/metabolites\/(\w+)\" (.*)>/ )  {
+			    	$ID = $1 ;
+			    	$catch_name = 0 ;
+			    	next ;
+			    }
+			    #Nom de la molecule ONLY!!
+			    if ( $catch_name == 0 ) {
+			    	
+			    	if( $line =~ /<td>(.+)<\/td>/ ) {
+			    		
+			    		if ( !defined $name ) {
+			    			$name = $1 ;
+			    			$result_by_entry{'ENTRY_ENTRY_ID'} = $ID ;
+					    	$result_by_entry{'ENTRY_NAME'} = $name ;
+					    	next ; 
+			    		}
+			    		if ( !defined $adduct ) { $adduct = $1 ;  $result_by_entry{'ENTRY_ADDUCT'} = $adduct ; next ; }
+			    		if ( !defined $adduct_mw ) {  $adduct_mw = $1 ; $result_by_entry{'ENTRY_ADDUCT_MZ'} = $adduct_mw ; next ; 	}
+			    		if ( !defined $cpd_mw ) { $cpd_mw = $1 ; $result_by_entry{'ENTRY_CPD_MZ'} = $cpd_mw ; next ; 	}
+			    		if ( !defined $delta ) {
+			    			$delta = $1 ;
+			    			$result_by_entry{'ENTRY_DELTA'} = $delta ;
+			    			$catch_name = 1 ;
+			    			my %tmp = %result_by_entry ;
+			    			push (@result_by_mz, \%tmp) ;
+			    			%result_by_entry = () ;
+			    			( $name, $cpd_mw, $delta, $adduct, $adduct_mw ) = ( undef, undef, undef, undef, undef ) ;
+			    			next ;
+			    		}
+				    }
+			    }
+			}
+			#Fin de la section contenant les resultats
+			if( $line =~ /<\/table>/ ) {
+				$catch_table = 0 ;
+				my @Tmp = @result_by_mz ;
+				push(@results, \@Tmp) ;
+				@result_by_mz = () ;
+			}
+	    }
+    }
+    return(\@results) ;
+}
+## END of SUB
+
+=head2 METHOD set_html_tbody_object
+
+	## Description : initializes and build the tbody object (perl array) need to html template
+	## Input : $nb_pages, $nb_items_per_page
+	## Output : $tbody_object
+	## Usage : my ( $tbody_object ) = set_html_tbody_object($nb_pages, $nb_items_per_page) ;
+	
+=cut
+## START of SUB
+sub set_html_tbody_object {
+	my $self = shift ;
+    my ( $nb_pages, $nb_items_per_page ) = @_ ;
+
+	my ( @tbody_object ) = ( ) ;
+	
+	for ( my $i = 1 ; $i <= $nb_pages ; $i++ ) {
+	    
+	    my %pages = ( 
+	    	# tbody feature
+	    	PAGE_NB => $i,
+	    	MASSES => [], ## end MASSES
+	    ) ; ## end TBODY N
+	    push (@tbody_object, \%pages) ;
+	}
+    return(\@tbody_object) ;
+}
+## END of SUB
+
+=head2 METHOD add_mz_to_tbody_object
+
+	## Description : initializes and build the mz object (perl array) need to html template
+	## Input : $tbody_object, $nb_items_per_page, $mz_list
+	## Output : $tbody_object
+	## Usage : my ( $tbody_object ) = add_mz_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list ) ;
+	
+=cut
+## START of SUB
+sub add_mz_to_tbody_object {
+	my $self = shift ;
+    my ( $tbody_object, $nb_items_per_page, $mz_list, $ids_list ) = @_ ;
+
+	my ( $current_page, $mz_index ) = ( 0, 0 ) ;
+	
+	foreach my $page ( @{$tbody_object} ) {
+		
+		my @colors = ('white', 'green') ;
+		my ( $current_index, , $icolor ) = ( 0, 0 ) ;
+		
+		for ( my $i = 1 ; $i <= $nb_items_per_page ; $i++ ) {
+			# 
+			if ( $current_index > $nb_items_per_page ) { ## manage exact mz per html page
+				$current_index = 0 ; 
+				last ; ##
+			}
+			else {
+				$current_index++ ;
+				if ( $icolor > 1 ) { $icolor = 0 ; }
+				
+				if ( exists $mz_list->[$mz_index]  ) {
+					
+					my %mz = (
+						# mass feature
+						MASSES_ID_QUERY => $ids_list->[$mz_index],
+						MASSES_MZ_QUERY => $mz_list->[$mz_index],
+						MZ_COLOR => $colors[$icolor],
+						MASSES_NB => $mz_index+1,
+						ENTRIES => [] ,
+					) ;
+					push ( @{ $tbody_object->[$current_page]{MASSES} }, \%mz ) ;
+					# Html attr for mass
+					$icolor++ ;
+				}
+			}
+			$mz_index++ ;
+		} ## foreach mz
+
+		$current_page++ ;
+	}
+    return($tbody_object) ;
+}
+## END of SUB
+
+=head2 METHOD add_entries_to_tbody_object
+
+	## Description : initializes and build the mz object (perl array) need to html template
+	## Input : $tbody_object, $nb_items_per_page, $mz_list, $entries
+	## Output : $tbody_object
+	## Usage : my ( $tbody_object ) = add_entries_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list, $entries ) ;
+	
+=cut
+## START of SUB
+sub add_entries_to_tbody_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $tbody_object, $nb_items_per_page, $mz_list, $entries ) = @_ ;
+    
+    my $index_page = 0 ;
+    my $index_mz_continous = 0 ;
+    
+    foreach my $page (@{$tbody_object}) {
+    	
+    	my $index_mz = 0 ;
+    	
+    	foreach my $mz (@{ $tbody_object->[$index_page]{MASSES} }) {
+    		
+    		my $index_entry = 0 ;
+    		
+    		my @anti_redondant = ('N/A') ;
+    		my $check_rebond = 0 ;
+    		
+    		foreach my $entry (@{ $entries->[$index_mz_continous] }) {
+    			
+    			## dispo anti doublons des entries
+    			foreach my $rebond (@anti_redondant) {
+    				if ( $rebond eq $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
+    			}
+    			
+    			if ( $check_rebond == 0 ) {
+    				
+    				 push ( @anti_redondant, $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) ;
+    				
+    				my %entry = (
+		    			ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR},
+		   				ENTRY_ENTRY_ID => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID},
+		   				ENTRY_ENTRY_ID2 => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID},
+						ENTRY_FORMULA => $entries->[$index_mz_continous][$index_entry]{ENTRY_FORMULA},
+						ENTRY_CPD_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_CPD_MZ},
+						ENTRY_ADDUCT => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT},
+						ENTRY_ADDUCT_TYPE => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_TYPE},
+						ENTRY_ADDUCT_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_MZ},
+						ENTRY_DELTA => $entries->[$index_mz_continous][$index_entry]{ENTRY_DELTA},   			
+		    		) ;
+		    		
+	    			push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ;
+    			}
+    			$check_rebond = 0 ; ## reinit double control
+    			$index_entry++ ;	
+    		}
+    		$index_mz ++ ;
+    		$index_mz_continous ++ ;
+    	}
+    	$index_page++ ;
+    }
+    return($tbody_object) ;
+}
+## END of SUB
+
+=head2 METHOD write_html_skel
+
+	## Description : prepare and write the html output file
+	## Input : $html_file_name, $html_object, $html_template
+	## Output : $html_file_name
+	## Usage : my ( $html_file_name ) = write_html_skel( $html_file_name, $html_object ) ;
+	
+=cut
+## START of SUB
+sub write_html_skel {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $html_file_name,  $html_object, $pages , $search_condition, $html_template, $js_path, $css_path ) = @_ ;
+    
+    my $html_file = $$html_file_name ;
+    
+    if ( defined $html_file ) {
+		open ( HTML, ">$html_file" ) or die "Can't create the output file $html_file " ;
+		
+		if (-e $html_template) {
+			my $ohtml = HTML::Template->new(filename => $html_template);
+			$ohtml->param(  JS_GALAXY_PATH => $js_path, CSS_GALAXY_PATH => $css_path  ) ;
+			$ohtml->param(  CONDITIONS => $search_condition  ) ;
+			$ohtml->param(  PAGES_NB => $pages  ) ;
+			$ohtml->param(  PAGES => $html_object  ) ;
+			print HTML $ohtml->output ;
+		}
+		else {
+			croak "Can't fill any html output : No template available ($html_template)\n" ;
+		}
+		
+		close (HTML) ;
+    }
+    else {
+    	croak "No output file name available to write HTML file\n" ;
+    }
+    return(\$html_file) ;
+}
+## END of SUB
+
+=head2 METHOD set_lm_matrix_object
+
+	## Description : build the bih_row under its ref form
+	## Input : $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep
+	## Output : $hmdb_matrix
+	## Usage : my ( $hmdb_matrix ) = set_lm_matrix_object( $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep ) ;
+	
+=cut
+## START of SUB
+sub set_lm_matrix_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep ) = @_ ;
+    
+    my @bih_matrix = () ;
+    
+    if ( defined $header ) {
+    	my @headers = () ;
+    	push @headers, $header ;
+    	push @bih_matrix, \@headers ;
+    }
+    
+    my $index_mz = 0 ;
+    $col_mzdb -= 1;     $col_rtdb -= 1; ## conversion in array number
+    
+    foreach my $mz ( @{$init_mzs} ) {
+    	
+    	my $index_entries = 0 ;
+    	my @clusters = () ;
+    	my $cluster_col = undef ;
+    	
+    	foreach my $entry (@{ $results->[$index_mz] }) {
+    		
+    		my $format_float = Math::BigFloat->new($entry->[$col_mzdb]);	## requires "use Math::BigFloat;"
+			my $delta_mz = abs( $format_float-$mz );	## management problem on small float
+			# manage final pipe
+			if ($index_entries == 0){	$cluster_col .= $delta_mz.$sep.$entry->[$col_mzdb].$sep ;	} ## Managing multiple results transition pipes "|"
+			else{	$cluster_col .= '|'.$delta_mz.$sep.$entry->[$col_mzdb].$sep ;	}
+			
+			if  ( ( defined $rts ) and ( $rts ne "" ) ) {
+				my $rt = $rts->[$index_mz] ;
+				my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]);	## requires "use Math::BigFloat;"
+				my $delta_rt = abs( $format_float_rt-$rt );	## management problem on small float
+				$cluster_col .= $delta_rt.$sep.$entry->[$col_rtdb].$sep;
+			}
+    		for (my $i=0; $i<=$#$entry; $i++){
+    			if($i == $#$entry){	$cluster_col .= $entry->[$i];	} ## Managing multiple results transition "#"
+    			else {	$cluster_col .= $entry->[$i].$sep;	}
+    		}
+    		$index_entries++ ;
+    	}
+    	if ( !defined $cluster_col ) { $cluster_col = 'No_result_found_in_bank_inhouse' ; }
+    	
+	    ## $cluster_col like METLIN data display model but the "::" have been modified (#) for ease of Excel reading
+	   	## entry1=VAR1::VAR2::VAR3::VAR4|entry2=VAR1::VAR2::VAR3::VAR4|...
+    	push (@clusters, $cluster_col) ;
+    	push (@bih_matrix, \@clusters) ;
+    	$index_mz++ ;
+    }
+    return(\@bih_matrix) ;
+}
+## END of SUB
+
+=head2 METHOD add_lm_matrix_to_input_matrix
+
+	## Description : build a full matrix (input + lm column)
+	## Input : $input_matrix_object, $lm_matrix_object, $nb_header
+	## Output : $output_matrix_object
+	## Usage : my ( $output_matrix_object ) = add_lm_matrix_to_input_matrix( $input_matrix_object, $lm_matrix_object, $nb_header ) ;
+	
+=cut
+## START of SUB
+sub add_lm_matrix_to_input_matrix {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $input_matrix_object, $lm_matrix_object, $nb_header ) = @_ ;
+    
+    my @output_matrix_object = () ;
+    my $index_row = 0 ;
+    my $line = 0 ;
+    
+    foreach my $row ( @{$input_matrix_object} ) {
+    	my @init_row = @{$row} ;
+    	$line++;
+    	
+    	if ( ( defined $nb_header ) and ( $line <= $nb_header) ) {
+    		push (@output_matrix_object, \@init_row) ;
+    		next ;
+    	}
+    	
+    	if ( $lm_matrix_object->[$index_row] ) {
+    		my $dim = scalar(@{$lm_matrix_object->[$index_row]}) ;
+    		
+    		if ($dim > 1) { warn "the add method can't manage more than one column\n" ;}
+    		if (defined $lm_matrix_object->[$index_row][$dim-1]) {
+    			my $lm_col =  $lm_matrix_object->[$index_row][$dim-1] ;
+   		 		push (@init_row, $lm_col) ;
+    		}
+    		
+	    	$index_row++ ;
+    	}
+    	push (@output_matrix_object, \@init_row) ;
+    }
+    return(\@output_matrix_object) ;
+}
+## END of SUB
+
+=head2 METHOD write_csv_skel
+
+	## Description : prepare and write csv output file
+	## Input : $csv_file, $rows
+	## Output : $csv_file
+	## Usage : my ( $csv_file ) = write_csv_skel( $csv_file, $rows ) ;
+	
+=cut
+## START of SUB
+sub write_csv_skel {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv_file, $rows ) = @_ ;
+    
+    my $ocsv = lib::csv::new() ;
+	my $csv = $ocsv->get_csv_object("\t") ;
+	$ocsv->write_csv_from_arrays($csv, $$csv_file, $rows) ;
+    
+    return($csv_file) ;
+}
+## END of SUB
+
+
+=head2 METHOD write_full_excel_like
+
+	## Description : allows to print a tsv file
+	## Input : $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name
+	## Output : N/A
+	## Usage : write_full_excel_like( $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name ) ;
+	
+=cut
+## START of SUB
+sub write_full_excel_like {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name ) = @_ ;
+    
+    open(CSV, '>:utf8', $file) or die "Cant' create the file $file\n" ;
+    
+    my $line = 0 ;
+    my $index_mz = 0 ;
+    $col_mzdb -= 1;     $col_rtdb -= 1; ## conversion in array number
+    
+    foreach my $row ( @{$input_matrix_object} ) {
+    	my $join_row = join($sep, @$row);
+    	
+    	if ( defined $nb_header ){
+    		$line++;
+    		if ( $line < $nb_header ) {	print CSV $join_row."\n";	next ;	}
+    		elsif ( $line == $nb_header ){
+    			my $head = join("_".$bank_name.$sep, @$bank_head);
+    			print CSV $join_row.$sep.$head."_".$bank_name."\n";
+    			next ;
+    		}
+    	}
+    	
+    	my $mass = $masses->[$index_mz] ;
+    	my $results4mass = $results->[$index_mz];
+    	
+    	if ( ref($results4mass) eq 'ARRAY' and defined $results4mass and $results4mass ne [] and $#$results4mass>=0) { ## an requested id has a result in the list of array $results.
+    		foreach my $entry (@{$results->[$index_mz]}) {
+    			print CSV $join_row."\t";
+    			my $format_float = Math::BigFloat->new($entry->[$col_mzdb]);	## requires "use Math::BigFloat;"
+				my $delta_mass = abs( $format_float-$mass );	## management problem on small float
+				print CSV $delta_mass."\t".$entry->[$col_mzdb];
+				
+				if  ( ( defined $rts ) and ( $rts ne "" ) ) {
+	    			my $rt = $rts->[$index_mz] ;
+	    			my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]);	## requires "use Math::BigFloat;"
+					my $delta_rt = abs( $format_float_rt-$rt );	## management problem on small float
+	    			print CSV "\t".$rt."\t".$delta_rt."\t".$entry->[$col_rtdb];
+				}
+    			for (my $i=0; $i<=$#$entry; $i++){	print CSV "\t".$entry->[$i];	}
+    			print CSV "\n";
+    		}
+    	}
+    	else {
+    		print CSV $join_row."\tno results found";
+    		for (my $i=0; $i<$#$bank_head; $i++){	print CSV "\t";	}
+    		print CSV "\n";
+    	}
+    	$index_mz++ ;
+    }
+   	close(CSV) ;
+    return() ;
+}
+## END of SUB
+
+
+=head2 METHOD write_excel_like_mass
+
+	## Description : allows to print a tsv file if retention time is required
+	## Input : $masses, $ids, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $bank_head
+	## Output : N/A
+	## Usage : write_excel_like_mass( $masses, $ids, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $bank_head ) ;
+=cut
+## START of SUB
+sub write_excel_like_mass {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $out_head ) = @_ ;
+    
+    open(CSV, '>:utf8', $file) or die "Cant' create the file $file\n" ;
+    
+    my $index_mz = 0 ;	my @bank_head = @$out_head;
+    $col_mzdb -= 1; ## conversion in array number
+    if  ( ( defined $rts ) and ( $rts ne "" ) ) {
+	    splice (@bank_head, 2, 0, "RT_Submit");
+	    $col_rtdb -= 1; ## conversion in array number
+    }
+    my $head = join("\t", @bank_head);
+    print CSV "MASS_Submit\t".$head."\n" ;
+    
+    foreach my $mass (@{$masses}) {
+    	my $results4mass = $results->[$index_mz];
+    	
+    	if ( ref($results4mass) eq 'ARRAY' and defined $results4mass and $results4mass ne [] and $#$results4mass>=0) { ## an requested id has a result in the list of array $results.
+    		foreach my $entry (@{$results->[$index_mz]}) {
+    			print CSV $mass."\t";
+    			my $format_float = Math::BigFloat->new($entry->[$col_mzdb]);	## requires "use Math::BigFloat;"
+				my $delta_mass = abs( $format_float-$mass );	## management problem on small float
+				print CSV $delta_mass."\t".$entry->[$col_mzdb];
+				
+				if  ( ( defined $rts ) and ( $rts ne "" ) ) {
+	    			my $rt = $rts->[$index_mz] ;
+	    			my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]);	## requires "use Math::BigFloat;"
+					my $delta_rt = abs( $format_float_rt-$rt );	## management problem on small float
+	    			print CSV "\t".$rt."\t".$delta_rt."\t".$entry->[$col_rtdb];
+				}
+    			for (my $i=0; $i<=$#$entry; $i++){	print CSV "\t".$entry->[$i];	}
+    			print CSV "\n";
+    		}
+    	}
+    	else {
+    		print CSV $mass."\tno results found";
+    		for (my $i=0; $i<$#bank_head; $i++){	print CSV "\t";	}
+    		print CSV "\n";
+    	}
+    	$index_mz++ ;
+    }
+   	close(CSV) ;
+    return() ;
+}
+## END of SUB
+
+
+=head2 METHOD db_pforest_get_clean_range
+
+	## Description : get a clean range of mass from PeakForest and REST
+	## Input : $ws_host, $query, $max
+	## Output : $json
+	## Usage : $json = db_pforest_get_clean_range( $ws_host, $query, $max ) ;
+=cut
+## START of SUB
+
+
+#sub db_pforest_get_clean_range {
+#    my $self = shift;
+#    my ( $ws_host, $query, $min, $max, $mode) = @_;
+#    my $json = undef ;
+#	# init
+##	my $ws_url = "https://rest.peakforest.org/search/compounds/monoisotopicmass/59.048/0.02";
+#
+#	$ENV{HTTPS_VERSION} = 3;
+#	#$ENV{PERL_LWP_SSL_VERIFY_HOSTNAME} = 0 ;
+#
+#	my $headers = {Accept => 'application/json', Authorization => 'Basic '};
+#	my $client = REST::Client->new({
+#         host    => $ws_host,
+##         cert    => '/path/to/ssl.crt',
+##         key     => '/path/to/ssl.key',
+##         ca      => '/path/to/ca.file',
+#         timeout => 100,
+#     });
+#    my $complete_query = $query.'/'.$min.'/'.$max ;
+#    
+#    if (defined $mode) {
+#    	$complete_query = $complete_query.'?mode='.$mode ; 
+#    }
+#    
+#    
+#    print $complete_query."\n" ;
+#    $client->GET($complete_query , $headers);
+#	$json = from_json ($client->responseContent()) ;
+#
+#	return ($json) ;   
+#}
+
+=head2 METHOD map_pfjson_bankobject
+
+	## Description : map PForest json with the original BiH Bank object
+	## Input : $json
+	## Output : $complete_bank, $bank_head
+	## Usage : ($complete_bank, $bank_heads) = map_pfjson_bankobject( json ) ;
+=cut
+## START of SUB
+sub map_pfjson_bankobject {
+	my $self = shift;
+    my ( $json ) = @_;
+    
+    my ( %complete_bank ) = () ;
+    my ( @bank_head ) = ('id', 'mz')  ;
+    
+    foreach my $cpd (@$json) {
+    	$complete_bank{$cpd->{'mz'}} = [] ;
+    	my @tmp = @{$cpd->{'cpds'}} ;
+    	
+    	push ( @tmp, $cpd->{'mz'} ) ;
+    	push ( @{ $complete_bank{$cpd->{'mz'} } }, \@tmp ) ;
+
+    }
+    return (\%complete_bank, \@bank_head) ;
+}
+## END of SUB
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc bih.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is prepare_multi_masses_query
+
+=back
+
+=head1 AUTHOR
+
+Marion Landi E<lt>marion.landi@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 19 / 11 / 2014
+
+=cut
diff -r 000000000000 -r be582bcd6585 lib/conf.pm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/conf.pm	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,259 @@
+package lib::conf ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+use Data::Dumper ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0" ;
+our @ISA = qw(Exporter) ;
+our @EXPORT = qw( as_conf get_value_from_conf check_path_and_file ) ;
+our %EXPORT_TAGS = ( ALL => [qw( as_conf get_value_from_conf )] ) ;
+
+=head1 NAME
+
+conf - A module for manage pfem conf file
+
+=head1 SYNOPSIS
+
+    use conf ;
+    my $object = conf->new() ;
+
+=head1 DESCRIPTION
+
+This module does manage conf file (extract all or selected fields)
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+## START of SUB
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+
+=head2 METHOD as_conf
+
+	## Description : permet de creer l'object conf a partir d'un fichier de conf de type KEY=VALUE
+	## Input : $file
+	## Ouput : $oConf (a hash)
+	## Usage : my ( $oConf ) = as_conf( $file ) ;
+	
+=cut
+## START of SUB
+sub as_conf {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $file, $separator ) = @_ ;
+    
+#    if (!defined $separator) { $separator = ';' } ## set separator to ;
+    
+    if ( !defined $file )  {  croak "Can't create object with an none defined file\n" ; }
+    
+    my %Conf = () ; ## Hash devant contenir l'ensemble des parametres locaux
+	
+	if (-e $file) {
+		open (CFG, "<$file") or die "Can't open $file\n" ;
+		while (<CFG>) {
+			chomp $_ ;
+			if ( $_ =~ /^#(.*)/)  {	next ; }
+			elsif ($_ =~/^(\w+?)=(.*)/) { ## ALPHANUMERIC OR UNDERSCORE ONLY FOR THE KEY AND ANYTHING ELSE FOR VALUE
+				
+				my ($key, $value) = ($1, $2) ;
+				
+				if (defined $separator) {
+					if ( $value=~/$separator/ ) { ## is a list to split
+						my @tmp = split(/$separator/ , $value) ;
+						$Conf{$key} = \@tmp ;
+					}
+				}
+				else {
+					$Conf{$key} = $value ;
+				}
+			}
+		}
+		close(CFG) ;
+	}
+	else { 
+		croak "Can't create object with an none existing file\n" ;
+	}
+	
+    return ( \%Conf ) ;
+}
+## END of SUB
+
+=head2 METHOD as_conf_list
+
+	## Description : permet de charger une liste txt en array
+	## Input : $file
+	## Output : elements
+	## Usage : my ( elements ) = as_conf_list( $conf_file ) ;
+	
+=cut
+## START of SUB
+sub as_conf_list {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $file ) = @_ ;
+    
+    my @elements = () ;
+    if ( !defined $file )  {  croak "Can't create object with an none defined file\n" ; }
+    
+    if (-e $file) {
+		open (CFG, "<$file") or die "Can't open $file\n" ;
+		while (<CFG>) {
+			chomp $_ ;
+			if ( $_ =~ /^#(.*)/)  {	next ; }
+			elsif ($_ =~/^(.*)/) { if (defined $1) { push (@elements, $1) ; } 	}
+		}
+    }
+    else {
+		croak "Can't create object with an none existing file\n" ;
+	}
+    return(\@elements) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_conf
+
+	## Description : permet de retourner une valeur du hash de conf a partir d'une key
+	## Input : $oConf, $Key
+	## Ouput : $Value
+	## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ;
+	
+=cut
+## START of SUB
+sub get_value_from_conf {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $oConf, $Key ) = @_ ;
+    
+    my $Value = undef ;
+    
+    if ( defined $oConf ) {
+    	if ( defined $oConf->{$Key} ) {
+    		$Value = $oConf->{$Key} ;
+    	}
+    }
+    else {
+    	croak "Can't manage value with undefined object\n" ;
+    }
+    return($Value) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_conf
+
+	## Description : permet de retourner une valeur du hash de conf a partir d'une key
+	## Input : $oConf, $Key
+	## Ouput : $Value
+	## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ;
+	
+=cut
+## START of SUB
+sub split_value_from_conf {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $oConf, $Key, $sep ) = @_ ;
+    
+    my $value = undef ;
+    my @values = () ;
+    
+    if ( defined $oConf ) {
+    	if ( defined $oConf->{$Key} ) {
+    		$value = $oConf->{$Key} ;
+    		@values = split ( /$sep/, $value) ;
+    	}
+    }
+    else {
+    	croak "Can't manage value with undefined object\n" ;
+    }
+    return(\@values) ;
+}
+## END of SUB
+
+
+=head2 METHOD check_path_and_file
+
+	## Description : permet de verifier les path et la presence des exe decrits dans le file conf. Bloque le script en cas de probleme
+	## Input : $oConfs
+	## Ouput : NA
+	## Usage : &get_value_from_conf( $oConf ) ;
+	
+=cut
+## START of SUB
+sub check_path_and_file {
+	
+	my $self = shift ;
+	my ( $oConfs ) = @_ ;
+	
+	foreach my $conf ( keys %{ $oConfs } ) {
+		if ( $conf =~ /^FILE/ ) {
+			if ( -e $oConfs->{$conf} ) {
+				if ( -s $oConfs->{$conf} ) { next ; }
+				else { carp "[Warning] : The size of file $oConfs->{$conf} is null\n" ; }
+			}
+			else {
+					carp "[Warning] : The file $oConfs->{$conf} doesn't exist\n" ;
+			}
+		}
+		elsif ( $conf =~ /^PATH/ ) {
+			if ( -d $oConfs->{$conf} ) { next ; }
+			else { carp "[Warning] :  The dir $oConfs->{$conf} doesn't exist\n" ;	}
+		}
+		else { 	next ; 	}
+	}
+	return ;
+}
+## END of SUB
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc conf.pm
+
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is as_conf get_value_from_conf
+
+=back
+
+=head1 AUTHOR
+
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 10 / 02 / 2013
+
+version 2 : 15 / 12 / 2015
+
+=cut
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 lib/csv.pm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/csv.pm	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,282 @@
+package lib::csv ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+
+use Text::CSV ;
+
+use Data::Dumper ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( get_csv_object get_value_from_csv );
+our %EXPORT_TAGS = ( ALL => [qw( get_csv_object get_value_from_csv )] );
+
+=head1 NAME
+
+My::Module - An example module
+
+=head1 SYNOPSIS
+
+    use My::Module;
+    my $object = My::Module->new();
+    print $object->as_string;
+
+=head1 DESCRIPTION
+
+This module does not really exist, it
+was made for the sole purpose of
+demonstrating how POD works.
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+
+=head2 METHOD get_csv_object
+
+	## Description : builds a csv object and etablishes format
+	## Input : $separator
+	## Output : $csv
+	## Usage : my ( $csv ) = get_csv_object( $separator ) ;
+	
+=cut
+## START of SUB
+sub get_csv_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $separator ) = @_ ;
+    
+#    my $csv = Text::CSV->new({'sep_char' => "$separator"});
+    my $csv = Text::CSV->new ( {'sep_char' => "$separator", binary => 1 } )  # should set binary attribute.
+    	or die "Cannot use CSV: ".Text::CSV->error_diag ();
+    
+    return($csv) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_csv
+
+	## Description : extract a targeted column in a csv file 
+	## Input : $csv, $file, $column, $is_header
+	## Output : $value
+	## Usage : my ( $value ) = get_value_from_csv( $csv, $file, $column, $is_header ) ;
+	
+=cut
+## START of SUB
+sub get_value_from_csv {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file, $column, $is_header ) = @_ ;
+    
+    my @value = () ;
+    
+    ## Adapte the number of the colunm : (nb of column to position in array)
+	$column = $column - 1 ;
+    
+    open (CSV, "<", $file) or die $! ;
+	
+	my $line = 0 ;
+	
+	while (<CSV>) {
+		$line++ ;
+	    chomp $_ ;
+		# file has a header
+		if ( defined $is_header ) { if ($line == 1) { next ; } }
+		# parsing the targeted column
+	    if ( $csv->parse($_) ) {
+	        my @columns = $csv->fields();
+	        push ( @value, $columns[$column] ) ;
+	    }
+	    else {
+	        my $err = $csv->error_input;
+	        die "Failed to parse line: $err";
+	    }
+	}
+	close CSV;
+    return(\@value) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_csv_multi_header
+
+	## Description : extract a targeted column in a csv file 
+	## Input : $csv, $file, $column, $is_header, $nb_header
+	## Output : $value
+	## Usage : my ( $value ) = get_value_from_csv_multi_header( $csv, $file, $column, $is_header, $nb_header ) ;
+	
+=cut
+## START of SUB
+sub get_value_from_csv_multi_header {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file, $column, $is_header, $nb_header ) = @_ ;
+    
+    my @value = () ;
+    
+    ## Adapte the number of the colunm : (nb of column to position in array)
+	$column = $column - 1 ;
+    
+    open (CSV, "<", $file) or die $! ;
+	
+	my $line = 0 ;
+	
+	while (<CSV>) {
+		$line++ ;
+	    chomp $_ ;
+		# file has a header
+		if ( defined $is_header and $is_header eq 'yes') { if ($line <= $nb_header) { next ; } }
+		# parsing the targeted column
+	    if ( $csv->parse($_) ) {
+	        my @columns = $csv->fields();
+	        push ( @value, $columns[$column] ) ;
+	    }
+	    else {
+	        my $err = $csv->error_input;
+	        die "Failed to parse line: $err";
+	    }
+	}
+	close CSV;
+    return(\@value) ;
+}
+## END of SUB
+
+=head2 METHOD parse_csv_object
+
+	## Description : parse_all csv object and return a array of rows
+	## Input : $csv, $file
+	## Output : $csv_matrix
+	## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file ) ;
+	
+=cut
+## START of SUB
+sub parse_csv_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file ) = @_ ;
+    
+    my @csv_matrix = () ;
+    
+	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
+	
+	while ( my $row = $csv->getline( $fh ) ) {
+	    push @csv_matrix, $row;
+	}
+	$csv->eof or $csv->error_diag();
+	close $fh;
+    
+    return(\@csv_matrix) ;
+}
+## END of SUB
+
+=head2 METHOD parse_allcsv_object
+
+	## Description : parse_all csv object and return a array of rows with or without header
+	## Input : $csv, $file, $keep_header
+	## Output : $csv_matrix
+	## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file, $keep_header ) ;
+	
+=cut
+## START of SUB
+sub parse_allcsv_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file, $keep_header ) = @_ ;
+    
+    my @csv_matrix = () ;
+    my $line = 1 ;
+    
+	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
+	
+	while ( my $row = $csv->getline( $fh ) ) {
+		if ( ( $keep_header eq 'n' )  and ($line == 1) ) {  }
+		else { push @csv_matrix, $row; }
+	    $line ++ ;
+	}
+	my $status = $csv->eof or $csv->error_diag();
+	close $fh;
+    
+    return(\@csv_matrix, $status) ;
+}
+## END of SUB
+
+
+=head2 METHOD write_csv_from_arrays
+
+	## Description : write a csv file from list of rows
+	## Input : $csv, $file_name, $rows
+	## Output : $csv_file
+	## Usage : my ( $csv_file ) = write_csv_from_arrays( $csv, $file_name, $rows ) ;
+	
+=cut
+## START of SUB
+sub write_csv_from_arrays {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file_name, $rows ) = @_ ;
+    
+    my $fh = undef ;
+    $csv->eol ("\n"); ##  end-of-line string to add to rows
+    open $fh, ">:encoding(utf8)", "$file_name" or die "$file_name: $!";
+    
+	my $status = $csv->print ($fh, $_) for @{$rows};
+	close $fh or die "$file_name: $!";
+    
+    return(\$file_name) ;
+}
+## END of SUB
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc csv.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is get_csv_object, get_value_from_csv
+
+=back
+
+=head1 AUTHOR
+
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 23 / 10 / 2013
+
+version 2 : ??
+
+=cut
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 lib/json.pm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/json.pm	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,152 @@
+package lib::json ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+
+use Data::Dumper ;
+
+## dedicate lib
+use JSON qw( );
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw(decode_json_file);
+our %EXPORT_TAGS = ( ALL => [qw(decode_json_file)] );
+
+=head1 NAME
+
+My::Module - An example module
+
+=head1 SYNOPSIS
+
+    use My::Module;
+    my $object = My::Module->new();
+    print $object->as_string;
+
+=head1 DESCRIPTION
+
+This module does not really exist, it
+was made for the sole purpose of
+demonstrating how POD works.
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+     
+=head2 METHOD decode_json_file
+
+	## Description : decode a json file and return a json perl object
+	## Input : $ref_file
+	## Output : $ojson
+	## Usage : my ( $ojson ) = decode_json_file( $file ) ;
+	
+=cut
+## START of SUB
+sub decode_json_file {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $ref_file ) = @_ ;
+    
+    my $ojson = undef ;
+    
+    if ( ( defined $ref_file ) and ( -e $$ref_file ) ) {
+    	my $filename = $$ref_file ;
+    	my $json_text = do {
+			open( my $json_fh, "<:encoding(UTF-8)", $filename) or die("Can't open \$filename\": $!\n");
+			local $/;
+			<$json_fh>
+		};
+		
+		my $json = JSON->new;
+		$ojson = $json->decode($json_text);
+    }
+    else {
+    	croak "Can't decode any file : it doesn't exist or defined\n" ;
+    }
+    return(\$ojson) ;
+}
+## END of SUB
+
+=head2 METHOD decode_json_stdout
+
+	## Description : decode a perl unicode string and return a json perl object
+	## Input : $stdout
+	## Output : $perl_scalar
+	## Usage : my ( $perl_scalar ) = decode_json_stdout( $stdout ) ;
+	
+=cut
+## START of SUB
+sub decode_json_stdout {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $stdout ) = @_ ;
+    
+    my $perl_scalar = undef ;
+    if ( defined $stdout ) {
+    	my $string = $$stdout ;
+#    	$string =~ s/\\/\\\\/g ; ## bug patched : jsons are clean now
+    	    	
+    	$perl_scalar = JSON->new->decode($string) ;
+    }
+    else {
+    	croak "Can't decode any string : it doesn't defined\n" ;
+    }
+    return(\$perl_scalar) ;
+}
+## END of SUB
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc XXX.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is ...
+
+=back
+
+=head1 AUTHOR
+
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : xx / xx / 201x
+
+version 2 : ??
+
+=cut
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 static/images/bank_inhouse.png
Binary file static/images/bank_inhouse.png has changed
diff -r 000000000000 -r be582bcd6585 t/bih_managerTest.t
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/bih_managerTest.t	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,144 @@
+#! perl
+use diagnostics;
+use warnings;
+no warnings qw/void/;
+use strict;
+no strict "refs" ;
+use Test::More tests => 36 ;
+use FindBin ;
+use Data::Dumper ;
+
+## Specific Modules
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+use lib::bihTest qw( :ALL ) ;
+
+## testing check_interval
+print "\n-- test whether a value is in the interval defines\n\n" ;
+#01
+is ( check_interval_Test('test', '0', '1'), "'test' isn't a valid number!", 'Works with a value that is not a number');
+#02
+is ( check_interval_Test('', '0', '1'), "'' isn't a valid number!", 'Works with a value that is not a number');
+#03
+is ( check_interval_Test('-0.5', '-1', '0'), "OK", 'Works with a negative float');
+#04
+is ( check_interval_Test('-0.5', '0', '1'), "'-0.5' is below the minimum!", 'Works with a number below the minimum!');
+#05
+is ( check_interval_Test('2', '0', '1'), "'2' is greater than the maximum!", 'Works with a number greater than the maximum!');
+print "\n--\n" ;
+
+## testing format_manual_masses
+print "\n-- Test format manual list of values lib for values (ex=> masses)\n\n" ;
+#06
+isa_ok( format_manual_list_values_Testvalues('562.0235', ' '), 'ARRAY' );
+#07
+is_deeply(format_manual_list_values_Testvalues('562.0235', ' '), [562.0235], 'Works with \'562.0235\' for mass');
+#08
+is_deeply(format_manual_list_values_Testvalues('562.0235 987.4568', ' '), [562.0235, 987.4568], 'Works with \'562.0235 987.4568\' for masses');
+#09
+is_deeply(format_manual_list_values_Testvalues('562.0235;987.4568', ';'), [562.0235, 987.4568], 'Works with \'562.0235;987.4568\' for masses');
+print "\n--\n" ;
+
+print "\n-- Test format manual list of values lib for ids\n\n" ;
+#10
+isa_ok( format_manual_list_values_Testids('562.0235', ' '), 'ARRAY' );
+#11
+is_deeply(format_manual_list_values_Testids('562.0235', ' '), ['value_1'], 'Works with \'562.0235\' for ids');
+#12
+is_deeply(format_manual_list_values_Testids('562.0235 987.4568', ' '), ['value_1', 'value_2'], 'Works with \'562.0235 987.4568\' for ids');
+#13
+is_deeply(format_manual_list_values_Testids('562.0235 987.4568 ', ' '), ['value_1', 'value_2'], 'Works with \'562.0235 987.4568 \' for ids');
+#14
+is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235', ' '), ['value_1', 'value_2','value_3', 'value_4','value_5', 'value_6','value_7', 'value_8', 'value_9'], 'Works with 9 masses for ids');
+#15
+is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235 987.4568', ' '), ['value_01', 'value_02','value_03', 'value_04','value_05', 'value_06','value_07', 'value_08', 'value_09', 'value_10'], 'Works with 10 masses for ids');
+#16
+is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48', ' '), ['value_01', 'value_02','value_03', 'value_04','value_05', 'value_06','value_07', 'value_08', 'value_09', 'value_10', 'value_11', 'value_12', 'value_13', 'value_14', 'value_15', 'value_16'], 'Works with 16 masses for ids');
+print "\n--\n" ;
+
+## testing manage_mode
+#print "\n-- Test manage_mode lib\n\n" ;
+#09
+#isa_ok( manage_mode_Testionization('positive,negative,neutral'), 'ARRAY' );
+#10
+#is_deeply(manage_mode_Testionization('positive,negative,neutral'), ['positive', 'negative', 'neutral'], 'Works with \'562.0235\' for ids');
+#14
+#isa_ok( format_manual_list_values_Testids('562.0235 987.4568'), 'ARRAY' );
+#15
+#is_deeply(format_manual_list_values_Testids('562.0235 987.4568'), ['mass_1', 'mass_2'], 'Works with \'562.0235 987.4568\' for ids');
+#16
+#is_deeply(format_manual_list_values_Testids('562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48 562.0235 987.4568 52.0235 98.48 62.0235 987.68 152.05 8.48'), ['mass_01', 'mass_02','mass_03', 'mass_04','mass_05', 'mass_06','mass_07', 'mass_08', 'mass_09', 'mass_10', 'mass_11', 'mass_12', 'mass_13', 'mass_14', 'mass_15', 'mass_16'], 'Works with 16 masses for ids');
+#print "\n--\n" ;
+
+## testing mz_delta_conversion
+print "\n-- Test mz_delta_conversion lib\n\n" ;
+#17
+is ( mz_delta_conversion_Testmin(100, 'Da', 0.005), 99.995, 'Works with \'100, Da, 0.005\' for minimum');
+#18
+is ( mz_delta_conversion_Testmax(100, 'Da', 0.005), 100.0050000001, 'Works with \'100, Da, 0.005\' for maximum');
+#19
+is ( mz_delta_conversion_Testmin(500, 'Da', 0.005), 499.995, 'Works with \'500, Da, 0.005\' for minimum');
+#20
+is ( mz_delta_conversion_Testmax(500, 'Da', 0.005), 500.0050000001, 'Works with \'500, Da, 0.005\' for maximum');
+#21
+is ( mz_delta_conversion_Testmin(100, 'ppm', 5), 99.9995, 'Works with \'100, ppm, 5\' for minimum');
+#22
+is ( mz_delta_conversion_Testmax(100, 'ppm', 5), 100.0005000001, 'Works with \'100, ppm, 5\' for maximum');
+#23
+is ( mz_delta_conversion_Testmin(500, 'ppm', 5), 499.9975, 'Works with \'500, ppm, 5\' for minimum');
+#24
+is ( mz_delta_conversion_Testmax(500, 'ppm', 5), 500.0025000001, 'Works with \'500, ppm, 5\' for maximum');
+print "\n--\n" ;
+
+## testing dichotomi_search
+print "\n-- Test dichotomi_search lib\n\n" ;
+#25
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '0'), -1, 'Works with \'0\' smaller than the 1st element');
+#26
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '1'), 0, 'Works with \'1\' equal to the 1st element');
+#27
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '5'), 4, 'Works with \'5\' equal to the 4th element');
+#28
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '11'), 10, 'Works with \'11\' equal to the last (10th) element');
+#29
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '11.001'), 11, 'Works with \'11.001\' greater than the last (10th) element');
+#30
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '9.5'), 9, 'Works with \'9.5\' between the 9th and the 10th element return \'9\'(the index of the 10th)');
+#31
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '8.5'), 8, 'Works with \'8.5\' between the 8th and the 9th element return \'8\'(the index of the 9th)');
+#32
+is ( dichotomi_search_Test(['1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11'], '10.5'), 10, 'Works with \'10.5\' between the 10th and the 11th element return \'10\'(the index of the 11th)');
+print "\n--\n" ;
+
+## test of input bank parsing
+print "\n-- Test bank parsing\n\n" ;
+is_deeply ( parse_bank_interest_Test(
+	'/Users/fgiacomoni/Inra/labs/perl/galaxy_tools/tool-bank_inhouse/test_data/in_test2.tabular', 1),
+	{ '422.0849114' => [ [ 'C19H18O11', '422.0849114' ] ], '98.952389' => [ [ 'Halothane', '98.952389' ] ], '209.987659' => [ [ 'Bismuth', '209.987659' ] ], '18.0105647' => [ [ 'H2O', '18.0105647' ] ], '199.951068' => [ [ 'Picolinic acid', '199.951068' ] ], '535.3181236' => [ [ 'C18H45N7O11', '535.3181236' ] ] }, 
+	"Parsing a bank method works an return a well organized hash\n" ) ; 
+
+print "\n--\n" ;
+
+
+## test of rest ws of PeakForest
+print "\n-- Test PeakForest WS\n\n" ;
+is_deeply ( db_pforest_get_clean_range_Test(
+	'https://rest.peakforest.org', '/spectra/lcms/peaks/get-range-clean', '190.0', '200.0', 'negative'),
+ 	[{ 'cpds' => [ 186 ], 'thMass' => '195.0877', 'sp' => 25, 'ri' => '100', 'deltaPPM' => '0.245', 'composition' => 'C8H11N4O2', 'attribution' => '[M+H]+', 'mz' => '195.0875' }, { 'composition' => 'C9H9O5', 'attribution' => '[M-H]-', 'ri' => '100', 'deltaPPM' => '0.271', 'cpds' => [ 360 ], 'thMass' => '197.0456', 'sp' => 37, 'mz' => '197.0452' }, { 'composition' => 'C9H12NO4', 'attribution' => '[M+H]+', 'deltaPPM' => '-0.426098891623529', 'ri' => '100', 'thMass' => '198.0760844', 'sp' => 77, 'cpds' => [ 1841 ], 'mz' => '198.076' }, { 'mz' => '196.0614', 'composition' => 'C9H10NO4', 'attribution' => '[M-H]-', 'cpds' => [ 1841 ], 'thMass' => '196.0615311', 'sp' => 78, 'ri' => '100', 'deltaPPM' => '-0.668667633415113' }, { 'cpds' => [ 1841 ], 'thMass' => '198.0760844', 'sp' => 79, 'ri' => '100', 'deltaPPM' => '-0.426098891623529', 'composition' => 'C9H12NO4', 'attribution' => '[M+H]+', 'mz' => '198.076' }],
+	"PForest WS call works an return a clean range og mz between 190 and 200\n" ) ; 
+	
+print "\n--\n" ;
+
+## test of rest ws of PeakForest
+print "\n-- Test PeakForest JSON Bank parsing\n\n" ;
+
+my ($bank, $headers) = map_pfjson_bankobject_Test([ { 'cpds' => [ 186 ], 'mz' => '195.0875' }, {'mz' => '198.076', 'cpds' => [ 190 ]} ]) ;
+is_deeply ( 
+	$bank, 
+	{ '198.076' => [ [ 190, '198.076' ] ], '195.0875' => [ [ 186, '195.0875' ] ] },
+	"Parsing json bank from PeakForest works an return a well organized hash for data\n" ) ;
+	
+is_deeply ( 
+	$headers, 
+	['id', 'mz'],
+	"Parsing json bank from PeakForest works an return a well organized array for headers\n" ) ;
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 t/lib/bihTest.pm
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/lib/bihTest.pm	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,106 @@
+package lib::bihTest ;
+
+use diagnostics; # this gives you more debugging information
+use warnings;    # this warns you of bad practices
+use strict;      # this prevents silly errors
+use Exporter ;
+use Carp ;
+use Data::Dumper ;
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( map_pfjson_bankobject_Test parse_bank_interest_Test db_pforest_get_clean_range_Test check_interval_Test format_manual_list_values_Testvalues format_manual_list_values_Testids manage_mode_TestvalH manage_mode_Testionization mz_delta_conversion_Testmin mz_delta_conversion_Testmax dichotomi_search_Test );
+our %EXPORT_TAGS = ( ALL => [qw( map_pfjson_bankobject_Test parse_bank_interest_Test db_pforest_get_clean_range_Test check_interval_Test format_manual_list_values_Testvalues format_manual_list_values_Testids manage_mode_TestvalH manage_mode_Testionization mz_delta_conversion_Testmin mz_delta_conversion_Testmax dichotomi_search_Test )] );
+
+use lib '/Users/fgiacomoni/Inra/labs/perl/galaxy_tools/tool-bank_inhouse' ;
+use lib::bih qw( :ALL ) ;
+use lib::json qw( :ALL ) ;
+use lib::csv qw( :ALL ) ;
+
+sub check_interval_Test {
+	my ( $value, $min, $max ) = @_ ;
+	my $oBih = lib::bih->new() ;
+	my ($message) = $oBih->check_interval($value, $min, $max) ;
+	return($message) ;
+}
+
+sub format_manual_list_values_Testvalues {
+	my ( $value, $sep ) = @_ ;
+	my $oBih = lib::bih->new() ;
+	my ($values, $ids) = $oBih->format_manual_list_values($value, $sep) ;
+	return ($values) ;
+}
+
+sub format_manual_list_values_Testids {
+	my ( $value, $sep ) = @_ ;
+	my $oBih = lib::bih->new() ;
+	my ($values, $ids) = $oBih->format_manual_list_values($value, $sep) ;
+	return ($ids) ;
+}
+
+sub mz_delta_conversion_Testmin {
+	my ( $mass, $delta_type, $mz_delta ) = @_ ;
+	my $oBih = lib::bih->new() ;
+	my ($min, $max) = $oBih->mz_delta_conversion(\$mass, \$delta_type, \$mz_delta) ;
+	return($$min) ;
+}
+
+sub mz_delta_conversion_Testmax {
+	my ( $mass, $delta_type, $mz_delta ) = @_ ;
+	my $oBih = lib::bih->new() ;
+	my ($min, $max) = $oBih->mz_delta_conversion(\$mass, \$delta_type, \$mz_delta) ;
+	return($$max) ;
+}
+
+sub dichotomi_search_Test {
+	my ( $tab, $search ) = @_ ;
+	my $oBih = lib::bih->new() ;
+	my ($position) = $oBih->dichotomi_search($tab, \$search) ;
+	return($$position) ;
+}
+
+## SUB TEST for 
+sub db_pforest_get_clean_range_Test {
+    # get values
+    my ( $host, $query, $min, $max, $mode ) = @_;
+    my $json = undef ;
+    
+    my $oBih = lib::bih->new() ;
+    $json = $oBih->db_pforest_get_clean_range($host, $query, $min, $max, $mode ) ;
+    
+    return($json) ;
+}
+## End SUB
+
+## SUB TEST for 
+sub parse_bank_interest_Test {
+    # get values
+    my ( $file, $col_interest ) = @_;
+    
+    my $ocsv_input  = lib::csv->new() ;
+	my $ocsv = $ocsv_input->get_csv_object( "\t" ) ;
+    
+    my $oBih = lib::bih->new() ;
+    my ($bank, $bank_header) = $oBih->parse_bank_interest($ocsv, \$file, $col_interest) ;
+    
+#    print Dumper $bank ;
+    
+    return($bank) ;
+}
+## End SUB
+
+
+sub map_pfjson_bankobject_Test {
+	# get values
+    my ( $json ) = @_;
+    
+    my ($bank, $headers) = (undef, undef) ;
+    
+    my $oBih = lib::bih->new() ;
+    ($bank, $headers) = $oBih->map_pfjson_bankobject($json) ;
+#    print Dumper $headers ;
+    return($bank, $headers) ;
+}
+
+
+1 ;
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 test-data/in_test2.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/in_test2.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,7 @@
+id	masses
+C19H18O11	422.0849114
+H2O	18.0105647
+C18H45N7O11	535.3181236
+Bismuth	209.987659
+Halothane	98.952389
+Picolinic acid	199.951068
diff -r 000000000000 -r be582bcd6585 test-data/out_test1.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test1.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,55 @@
+MASS_Submit	DELTA_mass(0.005Da)	MASS_Result	ENTRY	NAME	FORMULA	MASS	PATHWAYS	SOURCE	MODE	TISSUES
+422.0849114	0.0024114	422.0825	C00689	alpha,alpha'-Trehalose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C02591	Sucrose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C02995	Maltose 6'-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C04534	6-Phospho-beta-D-glucosyl-(1,4)-D-glucose	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C05396	Lactose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16688	Sucrose-6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16689	poly-cis-Polyprenyl diphosphate longer by one C5 unit	C11H22O7P2	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16690	5-L-Glutamyl-D-glutamyl-peptide	C10H16N3O6R	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16691	DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine	C10H16N5O8P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C18050	beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0023704	422.082541	MJ059635	1,1'-Di-myo-inosityl phosphate 	C12H23O14P	422.082541	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059636	alpha,alpha'-Trehalose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059637	Lactose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059638	Maltose 6'-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059639	Sugar 1-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03484	6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03485	maltose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03486	trehalose 6-phosphate [&alpha;,&alpha;-trehalose 6-phosphate;]	C12H23O14P1	422.082542	4484-88-2	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03487	sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03488	lactose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03489	6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB01124	HMDB	NA	NA
+422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB06789	HMDB	NA	NA
+422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	HMDB01124	PFEM_hmdb_metabocards_official	NA	NA
+422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	HMDB06789	PFEM_hmdb_metabocards_official	NA	NA
+422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+422.0849114	0.0000114	422.0849	C10077	Mangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000114	422.0849	C10089	Norswertianolin	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000114	422.0849	C10095	Tripteroside	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000114	422.0849	C16979	Isomangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000004	422.084911	MJ059640	1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059641	1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059642	1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059643	1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059644	1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059645	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059646	Chrysograyanone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059647	Dilatatin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059648	Isomangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059649	Mangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059650	Nigricanside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+18.0105647	0.0000057	18.010559	HMDB02111	Water	H2O	18.010559	NA	HMDB2010	NA	NA
+18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	http://www.hmdb.ca/metabolites/HMDB02111	HMDB	NA	NA
+18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	HMDB02111	PFEM_hmdb_metabocards_official	NA	NA
+18.0105647	0.0000007	18.010564	MJ000004	Water 	H2O	18.010564	NA	MeJP	NA	NA
+18.0105647	0.0000007	18.010564	MJ000005	H2O 	H2O	18.010564	NA	MeJP	NA	NA
+18.0105647	0.0000003	18.010565	MetaCyc00008	H2O [H20;hydrogen oxide;water;]	H2O1	18.010565	7732-18-5	metacyc	NA	NA
+18.0105647	0.0000353	18.0106	C00001	H2O	H2O	18.0106	NA	KEGG	NA	NA
+535.3181236	0.0036066	535.314517	MJ078445	Labiatamide A 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+535.3181236	0.0036066	535.314517	MJ078446	Neoline; O8,O14-Di-Ac, O1-Me 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+535.3181236	0.0036066	535.314517	MJ078447	Zygadenine; O3-Ac 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+209.987659	0.000604	209.987055	MJ008190	Zinc(II) propanoate 	C6H10O4Zn	209.987055	NA	MeJP	NA	NA
+98.952389	no results found									
diff -r 000000000000 -r be582bcd6585 test-data/out_test2a.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test2a.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,7 @@
+id	masses	BiH_internal_bank_(DELTA_mass(0.005Da)#MASS_Result#ENTRY#NAME#FORMULA#MASS#PATHWAYS#SOURCE#MODE#TISSUES)
+C19H18O11	422.0849114	"0.0024114#422.0825#C00689#alpha,alpha'-Trehalose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C02591#Sucrose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C02995#Maltose 6'-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C04534#6-Phospho-beta-D-glucosyl-(1,4)-D-glucose#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C05396#Lactose 6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16688#Sucrose-6-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16689#poly-cis-Polyprenyl diphosphate longer by one C5 unit#C11H22O7P2#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16690#5-L-Glutamyl-D-glutamyl-peptide#C10H16N3O6R#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C16691#DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine#C10H16N5O8P#422.0825#NA#KEGG#NA#NA|0.0024114#422.0825#C18050#beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate#C12H23O14P#422.0825#NA#KEGG#NA#NA|0.0023704#422.082541#MJ059635#1,1'-Di-myo-inosityl phosphate #C12H23O14P#422.082541#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059636#alpha,alpha'-Trehalose 6-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059637#Lactose 6-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059638#Maltose 6'-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MJ059639#Sugar 1-phosphate #C12H23O14P#422.082542#NA#MeJP#NA#NA|0.0023694#422.082542#MetaCyc03484#6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03485#maltose 6'-phosphate []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03486#trehalose 6-phosphate [&alpha;,&alpha;-trehalose 6-phosphate;]#C12H23O14P1#422.082542#4484-88-2#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03487#sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03488#lactose 6'-phosphate []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023694#422.082542#MetaCyc03489#6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []#C12H23O14P1#422.082542#NA#metacyc#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#http://www.hmdb.ca/metabolites/HMDB01124#HMDB#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#http://www.hmdb.ca/metabolites/HMDB06789#HMDB#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#HMDB01124#PFEM_hmdb_metabocards_official#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#HMDB06789#PFEM_hmdb_metabocards_official#NA#NA|0.0023614#422.08255#HMDB01124#Trehalose 6-phosphate#C12H23O14P#422.08255#NA#HMDB2010#NA#NA|0.0023614#422.08255#HMDB06789#Lactose 6-phosphate#C12H23O14P#422.08255#NA#HMDB2010#NA#NA|0.0000114#422.0849#C10077#Mangiferin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C10089#Norswertianolin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C10095#Tripteroside#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000114#422.0849#C16979#Isomangiferin#C19H18O11#422.0849#NA#KEGG#NA#NA|0.0000004#422.084911#MJ059640#1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059641#1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059642#1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059643#1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059644#1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059645#2-Glucosyl-1,3,5,6-tetrahydroxyxanthone #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059646#Chrysograyanone #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059647#Dilatatin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059648#Isomangiferin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059649#Mangiferin #C19H18O11#422.084911#NA#MeJP#NA#NA|0.0000004#422.084911#MJ059650#Nigricanside #C19H18O11#422.084911#NA#MeJP#NA#NA"
+H2O	18.0105647	"0.0000057#18.010559#HMDB02111#Water#H2O#18.010559#NA#HMDB2010#NA#NA|0.0000047#18.01056#HMDB02111#Water#H2O#18.01056#http://www.hmdb.ca/metabolites/HMDB02111#HMDB#NA#NA|0.0000047#18.01056#HMDB02111#Water#H2O#18.01056#HMDB02111#PFEM_hmdb_metabocards_official#NA#NA|0.0000007#18.010564#MJ000004#Water #H2O#18.010564#NA#MeJP#NA#NA|0.0000007#18.010564#MJ000005#H2O #H2O#18.010564#NA#MeJP#NA#NA|0.0000003#18.010565#MetaCyc00008#H2O [H20;hydrogen oxide;water;]#H2O1#18.010565#7732-18-5#metacyc#NA#NA|0.0000353#18.0106#C00001#H2O#H2O#18.0106#NA#KEGG#NA#NA"
+C18H45N7O11	535.3181236	"0.0036066#535.314517#MJ078445#Labiatamide A #C29H45NO8#535.314517#NA#MeJP#NA#NA|0.0036066#535.314517#MJ078446#Neoline; O8,O14-Di-Ac, O1-Me #C29H45NO8#535.314517#NA#MeJP#NA#NA|0.0036066#535.314517#MJ078447#Zygadenine; O3-Ac #C29H45NO8#535.314517#NA#MeJP#NA#NA"
+Bismuth	209.987659	"0.000604#209.987055#MJ008190#Zinc(II) propanoate #C6H10O4Zn#209.987055#NA#MeJP#NA#NA"
+Halothane	98.952389	No_result_found_in_bank_inhouse
+"Picolinic acid"	199.951068	"0.003776#199.947292#MJ006975#3-Bromo-4-hydroxybenzaldehyde #C7H5BrO2#199.947292#NA#MeJP#NA#NA|0.003776#199.947292#MJ006976#3-Bromobenzoic acid #C7H5BrO2#199.947292#NA#MeJP#NA#NA"
diff -r 000000000000 -r be582bcd6585 test-data/out_test2b.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test2b.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,57 @@
+MASS_Submit	DELTA_mass(0.005Da)	MASS_Result	ENTRY	NAME	FORMULA	MASS	PATHWAYS	SOURCE	MODE	TISSUES
+422.0849114	0.0024114	422.0825	C00689	alpha,alpha'-Trehalose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C02591	Sucrose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C02995	Maltose 6'-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C04534	6-Phospho-beta-D-glucosyl-(1,4)-D-glucose	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C05396	Lactose 6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16688	Sucrose-6-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16689	poly-cis-Polyprenyl diphosphate longer by one C5 unit	C11H22O7P2	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16690	5-L-Glutamyl-D-glutamyl-peptide	C10H16N3O6R	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C16691	DNA 2,6-diamino-5-formamido-3,4-dihydro-4-oxopyrimidine	C10H16N5O8P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0024114	422.0825	C18050	beta-D-Fructofuranosyl-alpha-D-mannopyranoside 6F-phosphate	C12H23O14P	422.0825	NA	KEGG	NA	NA
+422.0849114	0.0023704	422.082541	MJ059635	1,1'-Di-myo-inosityl phosphate 	C12H23O14P	422.082541	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059636	alpha,alpha'-Trehalose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059637	Lactose 6-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059638	Maltose 6'-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MJ059639	Sugar 1-phosphate 	C12H23O14P	422.082542	NA	MeJP	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03484	6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03485	maltose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03486	trehalose 6-phosphate [&alpha;,&alpha;-trehalose 6-phosphate;]	C12H23O14P1	422.082542	4484-88-2	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03487	sucrose-6-phosphate [sucrose 6F-phosphate;sucrose-6-P;]	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03488	lactose 6'-phosphate []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023694	422.082542	MetaCyc03489	6-phospho-&beta;-D-glucosyl-(1,4)-D-glucose []	C12H23O14P1	422.082542	NA	metacyc	NA	NA
+422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB01124	HMDB	NA	NA
+422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	http://www.hmdb.ca/metabolites/HMDB06789	HMDB	NA	NA
+422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	HMDB01124	PFEM_hmdb_metabocards_official	NA	NA
+422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	HMDB06789	PFEM_hmdb_metabocards_official	NA	NA
+422.0849114	0.0023614	422.08255	HMDB01124	Trehalose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+422.0849114	0.0023614	422.08255	HMDB06789	Lactose 6-phosphate	C12H23O14P	422.08255	NA	HMDB2010	NA	NA
+422.0849114	0.0000114	422.0849	C10077	Mangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000114	422.0849	C10089	Norswertianolin	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000114	422.0849	C10095	Tripteroside	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000114	422.0849	C16979	Isomangiferin	C19H18O11	422.0849	NA	KEGG	NA	NA
+422.0849114	0.0000004	422.084911	MJ059640	1,2,6,8-Tetrahydroxyxanthone; 1-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059641	1,2,6,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059642	1,3,5,6-Tetrahydroxyxanthone; 3-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059643	1,3,5,8-Tetrahydroxyxanthone; 8-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059644	1,3,6,7-Tetrahydroxyxanthone; 6-O-?-D-Glucopyranoside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059645	2-Glucosyl-1,3,5,6-tetrahydroxyxanthone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059646	Chrysograyanone 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059647	Dilatatin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059648	Isomangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059649	Mangiferin 	C19H18O11	422.084911	NA	MeJP	NA	NA
+422.0849114	0.0000004	422.084911	MJ059650	Nigricanside 	C19H18O11	422.084911	NA	MeJP	NA	NA
+18.0105647	0.0000057	18.010559	HMDB02111	Water	H2O	18.010559	NA	HMDB2010	NA	NA
+18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	http://www.hmdb.ca/metabolites/HMDB02111	HMDB	NA	NA
+18.0105647	0.0000047	18.01056	HMDB02111	Water	H2O	18.01056	HMDB02111	PFEM_hmdb_metabocards_official	NA	NA
+18.0105647	0.0000007	18.010564	MJ000004	Water 	H2O	18.010564	NA	MeJP	NA	NA
+18.0105647	0.0000007	18.010564	MJ000005	H2O 	H2O	18.010564	NA	MeJP	NA	NA
+18.0105647	0.0000003	18.010565	MetaCyc00008	H2O [H20;hydrogen oxide;water;]	H2O1	18.010565	7732-18-5	metacyc	NA	NA
+18.0105647	0.0000353	18.0106	C00001	H2O	H2O	18.0106	NA	KEGG	NA	NA
+535.3181236	0.0036066	535.314517	MJ078445	Labiatamide A 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+535.3181236	0.0036066	535.314517	MJ078446	Neoline; O8,O14-Di-Ac, O1-Me 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+535.3181236	0.0036066	535.314517	MJ078447	Zygadenine; O3-Ac 	C29H45NO8	535.314517	NA	MeJP	NA	NA
+209.987659	0.000604	209.987055	MJ008190	Zinc(II) propanoate 	C6H10O4Zn	209.987055	NA	MeJP	NA	NA
+98.952389	no results found									
+199.951068	0.003776	199.947292	MJ006975	3-Bromo-4-hydroxybenzaldehyde 	C7H5BrO2	199.947292	NA	MeJP	NA	NA
+199.951068	0.003776	199.947292	MJ006976	3-Bromobenzoic acid 	C7H5BrO2	199.947292	NA	MeJP	NA	NA
diff -r 000000000000 -r be582bcd6585 test-data/out_test_pf1.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test_pf1.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,12 @@
+MASS_Submit	DELTA_mass(0.05Da)	MASS_Result	id	mz
+154.0499	0	154.0499	584	154.0499
+154.0499	0.0123	154.0622	1845	154.0622
+152.0352	0.0055	152.0297	1212	152.0297
+152.0352	0.003252804903	152.031947195097	1444	152.031947195097
+152.0352	0	152.0352	584	152.0352
+152.0352	0.012	152.0472	1941	152.0472
+152.0352	0.0185	152.0537	1851	152.0537
+152.0352	0.0212	152.0564	1114	152.0564
+152.0352	0.0355	152.0707	1841	152.0707
+123.45	no results found			
+124.96	no results found			
\ No newline at end of file
diff -r 000000000000 -r be582bcd6585 test-data/out_test_pf2a.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test_pf2a.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,7 @@
+id	masses	BiH_PeakForest_(DELTA_mass(0.005Da)#MASS_Result#id#mz)
+C19H18O11	422.0849114	No_result_found_in_bank_inhouse
+H2O	18.0105647	No_result_found_in_bank_inhouse
+C18H45N7O11	535.3181236	No_result_found_in_bank_inhouse
+Bismuth	209.987659	No_result_found_in_bank_inhouse
+Halothane	98.952389	No_result_found_in_bank_inhouse
+"Picolinic acid"	199.951068	No_result_found_in_bank_inhouse
diff -r 000000000000 -r be582bcd6585 test-data/out_test_pf2b.tabular
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test_pf2b.tabular	Thu Oct 04 10:37:14 2018 -0400
@@ -0,0 +1,7 @@
+MASS_Submit	DELTA_mass(0.005Da)	MASS_Result	id	mz
+422.0849114	no results found			
+18.0105647	no results found			
+535.3181236	no results found			
+209.987659	no results found			
+98.952389	no results found			
+199.951068	no results found